smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC(=O)CN(C)C2CCC([NH3+])CC2)ccc1Br ZINC000091847856 728463086 /nfs/dbraw/zinc/46/30/86/728463086.db2.gz IZBCKCAWGHXWEQ-UHFFFAOYSA-N 1 3 354.292 2.898 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000130329963 728716934 /nfs/dbraw/zinc/71/69/34/728716934.db2.gz RUULIYJVQLCPFP-WMZOPIPTSA-N 1 3 350.551 2.765 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000130329963 728716935 /nfs/dbraw/zinc/71/69/35/728716935.db2.gz RUULIYJVQLCPFP-WMZOPIPTSA-N 1 3 350.551 2.765 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000187774706 729381166 /nfs/dbraw/zinc/38/11/66/729381166.db2.gz QLDQKAJLEFTHIX-UHFFFAOYSA-N 1 3 366.893 2.896 20 0 FFADHO CCCN1CCC([NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000236779323 729555640 /nfs/dbraw/zinc/55/56/40/729555640.db2.gz BULWWMJPTTVWQV-UHFFFAOYSA-N 1 3 367.559 2.681 20 0 FFADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000261630832 729651056 /nfs/dbraw/zinc/65/10/56/729651056.db2.gz FKDPWZVEUPJLIV-HNNXBMFYSA-N 1 3 358.255 2.588 20 0 FFADHO Cc1ncc(CNC(=O)CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000639581559 730088103 /nfs/dbraw/zinc/08/81/03/730088103.db2.gz YCLAZVMAJYBQNV-GOEBONIOSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1ncc(CNC(=O)CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000639581559 730088104 /nfs/dbraw/zinc/08/81/04/730088104.db2.gz YCLAZVMAJYBQNV-GOEBONIOSA-N 1 3 364.559 2.700 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000641838798 730254314 /nfs/dbraw/zinc/25/43/14/730254314.db2.gz YVUMBGIRSCQVSC-IBGZPJMESA-N 1 3 350.551 2.911 20 0 FFADHO Cc1cc(C[NH2+]C[C@H](C)CN2CCN(C)CC2)c(Br)cc1F ZINC000858125427 730417283 /nfs/dbraw/zinc/41/72/83/730417283.db2.gz DINZZDGLKUEAMY-ZDUSSCGKSA-N 1 3 372.326 2.870 20 0 FFADHO CN(CCOCC[NH2+]C1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000858500482 730427439 /nfs/dbraw/zinc/42/74/39/730427439.db2.gz GRTXCYMERLVMTA-UHFFFAOYSA-N 1 3 357.539 2.722 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000647552407 730749796 /nfs/dbraw/zinc/74/97/96/730749796.db2.gz ZBIKKTNBDRZJOC-GJZGRUSLSA-N 1 3 360.527 2.862 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCCc1ccc(Cl)cc1 ZINC000647975155 730778698 /nfs/dbraw/zinc/77/86/98/730778698.db2.gz NMZILJOFOZDFAV-ZWKOTPCHSA-N 1 3 363.933 2.710 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000648379838 730804302 /nfs/dbraw/zinc/80/43/02/730804302.db2.gz CLMFTBHTZIIMRP-RDTXWAMCSA-N 1 3 362.905 2.939 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000648379838 730804304 /nfs/dbraw/zinc/80/43/04/730804304.db2.gz CLMFTBHTZIIMRP-RDTXWAMCSA-N 1 3 362.905 2.939 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cccc(Br)c3F)C2)CC1 ZINC000648450362 730809931 /nfs/dbraw/zinc/80/99/31/730809931.db2.gz DCLGYINVKGWLFD-CQSZACIVSA-N 1 3 370.310 2.846 20 0 FFADHO CCN1CC[NH+](CCCCNCc2nccc(C)c2Br)CC1 ZINC000865413585 730951749 /nfs/dbraw/zinc/95/17/49/730951749.db2.gz OVBIVEGEBVNBKW-UHFFFAOYSA-N 1 3 369.351 2.660 20 0 FFADHO C[C@@H]1C[NH+](CCCCNCc2cccnc2Br)C[C@@H](C)O1 ZINC000865472011 730959568 /nfs/dbraw/zinc/95/95/68/730959568.db2.gz URDVOKUACYVRET-ZIAGYGMSSA-N 1 3 356.308 2.823 20 0 FFADHO Brc1ncccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000865621043 730977694 /nfs/dbraw/zinc/97/76/94/730977694.db2.gz VZOJHVAHWOUTMM-UHFFFAOYSA-N 1 3 368.319 2.825 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925532213 738513093 /nfs/dbraw/zinc/51/30/93/738513093.db2.gz VGVMWGDMYHEITI-HZPDHXFCSA-N 1 3 351.878 2.845 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000656197878 731557282 /nfs/dbraw/zinc/55/72/82/731557282.db2.gz CNRRCLJKODTKNU-RBSFLKMASA-N 1 3 355.404 2.666 20 0 FFADHO Brc1ccsc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925763321 738528594 /nfs/dbraw/zinc/52/85/94/738528594.db2.gz SAKMJVXKSJHWBC-IACUBPJLSA-N 1 3 359.333 2.800 20 0 FFADHO CC1CCN(C(=O)C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)CC1 ZINC000873207389 731891041 /nfs/dbraw/zinc/89/10/41/731891041.db2.gz AINLWVWYWPMMKD-UHFFFAOYSA-N 1 3 361.555 2.864 20 0 FFADHO Brc1cccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662250893 732288682 /nfs/dbraw/zinc/28/86/82/732288682.db2.gz QYHAZDNOMAMFOT-MRXNPFEDSA-N 1 3 351.288 2.935 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000876970281 732305719 /nfs/dbraw/zinc/30/57/19/732305719.db2.gz NKUQVRCPRWSVGV-AWEZNQCLSA-N 1 3 364.559 2.769 20 0 FFADHO Cc1cc([C@H](N)CC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc(Cl)n1 ZINC000877055903 732318770 /nfs/dbraw/zinc/31/87/70/732318770.db2.gz WPEABQNIGCLCPH-OAHLLOKOSA-N 1 3 360.845 2.554 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(F)F)cc1 ZINC000664676489 732617326 /nfs/dbraw/zinc/61/73/26/732617326.db2.gz RLQQZPKNUXBJOR-AWEZNQCLSA-N 1 3 356.461 2.695 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(F)F)cc1 ZINC000664676489 732617327 /nfs/dbraw/zinc/61/73/27/732617327.db2.gz RLQQZPKNUXBJOR-AWEZNQCLSA-N 1 3 356.461 2.695 20 0 FFADHO Cc1nc2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2s1 ZINC000665187077 732677567 /nfs/dbraw/zinc/67/75/67/732677567.db2.gz KCSHTXIGYOITJT-ZDUSSCGKSA-N 1 3 363.531 2.998 20 0 FFADHO Cc1nc2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2s1 ZINC000665187077 732677568 /nfs/dbraw/zinc/67/75/68/732677568.db2.gz KCSHTXIGYOITJT-ZDUSSCGKSA-N 1 3 363.531 2.998 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000665357268 732698432 /nfs/dbraw/zinc/69/84/32/732698432.db2.gz IPAZWASVECIUIP-IRXDYDNUSA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000665357268 732698436 /nfs/dbraw/zinc/69/84/36/732698436.db2.gz IPAZWASVECIUIP-IRXDYDNUSA-N 1 3 350.482 2.600 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000665636580 732734293 /nfs/dbraw/zinc/73/42/93/732734293.db2.gz CODOQUUKERZXIX-JKSUJKDBSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000665636580 732734296 /nfs/dbraw/zinc/73/42/96/732734296.db2.gz CODOQUUKERZXIX-JKSUJKDBSA-N 1 3 352.548 2.867 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)CC(F)F)CC2)CC1 ZINC000881536443 733066042 /nfs/dbraw/zinc/06/60/42/733066042.db2.gz CXJVHMSTHHYAGB-UHFFFAOYSA-N 1 3 359.505 2.980 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)CC(F)F)CC2)CC1 ZINC000883248739 733355424 /nfs/dbraw/zinc/35/54/24/733355424.db2.gz DQZWYOGVTJPQSV-UHFFFAOYSA-N 1 3 360.493 2.526 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000672943027 733572567 /nfs/dbraw/zinc/57/25/67/733572567.db2.gz QYRQQCCPSKJTLV-QZTJIDSGSA-N 1 3 350.482 2.602 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)C1CC[NH+](C)CC1 ZINC000674633837 733720877 /nfs/dbraw/zinc/72/08/77/733720877.db2.gz RLNMIWVELVLQIT-OAHLLOKOSA-N 1 3 352.548 2.552 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885969165 733734955 /nfs/dbraw/zinc/73/49/55/733734955.db2.gz LSGIHZNGADEUOB-INIZCTEOSA-N 1 3 355.473 2.694 20 0 FFADHO C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ncc(Br)s1 ZINC000677416782 733943807 /nfs/dbraw/zinc/94/38/07/733943807.db2.gz RWNMBNKQRCWSFL-LLVKDONJSA-N 1 3 361.353 2.582 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C2CCC1(C[NH3+])CC2)c1ccsc1 ZINC000891349902 734417917 /nfs/dbraw/zinc/41/79/17/734417917.db2.gz XGMDMCTUTBBNTM-UPTPFMHGSA-N 1 3 350.532 2.796 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000891543976 734444127 /nfs/dbraw/zinc/44/41/27/734444127.db2.gz VPQIKSHAQGJOKY-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000891543976 734444130 /nfs/dbraw/zinc/44/41/30/734444130.db2.gz VPQIKSHAQGJOKY-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000892580549 734575902 /nfs/dbraw/zinc/57/59/02/734575902.db2.gz MDAVWCBTIOEKDU-MBOZVWFJSA-N 1 3 364.555 2.831 20 0 FFADHO COCCCC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCC1 ZINC000893564558 734720723 /nfs/dbraw/zinc/72/07/23/734720723.db2.gz RNJNZGVCPJVLBU-UHFFFAOYSA-N 1 3 351.579 2.933 20 0 FFADHO C[C@@H]1C[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000741503360 735148758 /nfs/dbraw/zinc/14/87/58/735148758.db2.gz ARBYUUCHWSBPAJ-APWZRJJASA-N 1 3 360.571 2.598 20 0 FFADHO C[C@@H]1C[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741503360 735148762 /nfs/dbraw/zinc/14/87/62/735148762.db2.gz ARBYUUCHWSBPAJ-APWZRJJASA-N 1 3 360.571 2.598 20 0 FFADHO C[C@H]1CCN(C(=S)NC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000743036705 735273247 /nfs/dbraw/zinc/27/32/47/735273247.db2.gz OUUGILBLJNYDNP-KRWDZBQOSA-N 1 3 360.571 2.552 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2Cl)[C@@H](C)C1 ZINC000749345452 735716178 /nfs/dbraw/zinc/71/61/78/735716178.db2.gz BXRCCZVYISYWTO-WDYCEAGBSA-N 1 3 354.922 2.880 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2Cl)[C@@H](C)C1 ZINC000749345452 735716181 /nfs/dbraw/zinc/71/61/81/735716181.db2.gz BXRCCZVYISYWTO-WDYCEAGBSA-N 1 3 354.922 2.880 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=S)NC3CCN(C)CC3)CC2)CC1 ZINC000752785745 736012378 /nfs/dbraw/zinc/01/23/78/736012378.db2.gz BMOUCKVAMYPLTP-UHFFFAOYSA-N 1 3 352.592 2.588 20 0 FFADHO COCC[NH+]1CCC(N[C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903079279 736027733 /nfs/dbraw/zinc/02/77/33/736027733.db2.gz LFVMWSNDFINZOM-FQEVSTJZSA-N 1 3 350.478 2.994 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496557 736102117 /nfs/dbraw/zinc/10/21/17/736102117.db2.gz SHFKAKBOMSKFQK-MGPQQGTHSA-N 1 3 353.894 2.901 20 0 FFADHO FC(F)Oc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903509370 736103972 /nfs/dbraw/zinc/10/39/72/736103972.db2.gz GMKANLPCLJLTRX-CALCHBBNSA-N 1 3 351.441 2.689 20 0 FFADHO FC(F)Oc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903509370 736103975 /nfs/dbraw/zinc/10/39/75/736103975.db2.gz GMKANLPCLJLTRX-CALCHBBNSA-N 1 3 351.441 2.689 20 0 FFADHO Clc1ccc(OC2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000903781140 736166228 /nfs/dbraw/zinc/16/62/28/736166228.db2.gz OVLGPLHCFCINBH-KRWDZBQOSA-N 1 3 365.905 2.737 20 0 FFADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921546 736189035 /nfs/dbraw/zinc/18/90/35/736189035.db2.gz OZQOLRUCXZEEQT-MUKKUYKPSA-N 1 3 364.921 2.865 20 0 FFADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922549 736189175 /nfs/dbraw/zinc/18/91/75/736189175.db2.gz ZGZOUSPBISBAMI-QBIMZIAESA-N 1 3 363.893 2.722 20 0 FFADHO CCCCn1nc(C)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1Cl ZINC000904389138 736247820 /nfs/dbraw/zinc/24/78/20/736247820.db2.gz IGHGNESAGDLSST-HNNXBMFYSA-N 1 3 354.926 2.975 20 0 FFADHO C[C@@H]1C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)CN1Cc1ccccc1 ZINC000757542653 736409141 /nfs/dbraw/zinc/40/91/41/736409141.db2.gz NLOCYJMPEVBEHP-SJLPKXTDSA-N 1 3 362.587 2.701 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760476668 736642397 /nfs/dbraw/zinc/64/23/97/736642397.db2.gz CQMVMSGTOYFWHH-QFBILLFUSA-N 1 3 360.571 2.628 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@@H](O)c1ccccc1C(F)(F)F)CC2 ZINC000923440550 738284400 /nfs/dbraw/zinc/28/44/00/738284400.db2.gz ITNOSJNGRPYABE-CZUORRHYSA-N 1 3 358.404 2.569 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(F)c(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000930136571 739063817 /nfs/dbraw/zinc/06/38/17/739063817.db2.gz NPNZIRHFEDCWEI-HNAYVOBHSA-N 1 3 369.912 2.816 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(F)c(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000930136571 739063822 /nfs/dbraw/zinc/06/38/22/739063822.db2.gz NPNZIRHFEDCWEI-HNAYVOBHSA-N 1 3 369.912 2.816 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H]3CCC4(COC4)O3)C2)s1 ZINC000930374507 739096542 /nfs/dbraw/zinc/09/65/42/739096542.db2.gz UURANXWRSKHALR-DLBZAZTESA-N 1 3 350.528 2.758 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H]3CCC4(COC4)O3)C2)s1 ZINC000930374507 739096546 /nfs/dbraw/zinc/09/65/46/739096546.db2.gz UURANXWRSKHALR-DLBZAZTESA-N 1 3 350.528 2.758 20 0 FFADHO CC[NH+]1CCC(N2CCCN(C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)CC1 ZINC000930749621 739157490 /nfs/dbraw/zinc/15/74/90/739157490.db2.gz BIFILFLLQGRATQ-SJORKVTESA-N 1 3 363.468 2.588 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000796988079 740202302 /nfs/dbraw/zinc/20/23/02/740202302.db2.gz GTPOWMKMMFJUJF-NXOAAHMSSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000796988079 740202304 /nfs/dbraw/zinc/20/23/04/740202304.db2.gz GTPOWMKMMFJUJF-NXOAAHMSSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000796988079 740202306 /nfs/dbraw/zinc/20/23/06/740202306.db2.gz GTPOWMKMMFJUJF-NXOAAHMSSA-N 1 3 353.304 2.945 20 0 FFADHO CN(C)C[C@@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000802721141 740720456 /nfs/dbraw/zinc/72/04/56/740720456.db2.gz QFKXFFPFEMGHOU-QGZVFWFLSA-N 1 3 368.978 2.749 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCc2ccc(Cl)cc2)C1 ZINC000969698054 740737871 /nfs/dbraw/zinc/73/78/71/740737871.db2.gz BXBPJLZWAFCFQA-QMTMVMCOSA-N 1 3 363.933 2.659 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCc2ccc(Cl)cc2)C1 ZINC000969698054 740737873 /nfs/dbraw/zinc/73/78/73/740737873.db2.gz BXBPJLZWAFCFQA-QMTMVMCOSA-N 1 3 363.933 2.659 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)CC[N@@H+]1C ZINC000981778117 741172684 /nfs/dbraw/zinc/17/26/84/741172684.db2.gz DEFYGIGFAPXTOB-ZWKOTPCHSA-N 1 3 361.555 2.903 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)CC[N@H+]1C ZINC000981778117 741172687 /nfs/dbraw/zinc/17/26/87/741172687.db2.gz DEFYGIGFAPXTOB-ZWKOTPCHSA-N 1 3 361.555 2.903 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nc(C)c(C)s3)CC2)CC[N@@H+]1C ZINC000996604117 741995533 /nfs/dbraw/zinc/99/55/33/741995533.db2.gz RDQISYMNQWBHCF-DLBZAZTESA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nc(C)c(C)s3)CC2)CC[N@H+]1C ZINC000996604117 741995537 /nfs/dbraw/zinc/99/55/37/741995537.db2.gz RDQISYMNQWBHCF-DLBZAZTESA-N 1 3 364.559 2.571 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3c(F)cccc3Cl)C2)CC[N@@H+]1C ZINC001026852678 742761303 /nfs/dbraw/zinc/76/13/03/742761303.db2.gz OPGKLMFSEZGNOY-QLFBSQMISA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3c(F)cccc3Cl)C2)CC[N@H+]1C ZINC001026852678 742761306 /nfs/dbraw/zinc/76/13/06/742761306.db2.gz OPGKLMFSEZGNOY-QLFBSQMISA-N 1 3 367.896 2.757 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)CC[N@@H+]1C ZINC001041307331 743043067 /nfs/dbraw/zinc/04/30/67/743043067.db2.gz PFQJJKLXGFZWDG-NLWGTHIKSA-N 1 3 361.555 2.903 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)CC[N@H+]1C ZINC001041307331 743043073 /nfs/dbraw/zinc/04/30/73/743043073.db2.gz PFQJJKLXGFZWDG-NLWGTHIKSA-N 1 3 361.555 2.903 20 0 FFADHO Cc1nsc(C)c1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393006 743586676 /nfs/dbraw/zinc/58/66/76/743586676.db2.gz CPKYIHSFRBYDIJ-HYVNUMGLSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nsc(C)c1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052393006 743586679 /nfs/dbraw/zinc/58/66/79/743586679.db2.gz CPKYIHSFRBYDIJ-HYVNUMGLSA-N 1 3 364.559 2.571 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCS[C@H](C)C3)CC2)CC1 ZINC000834645613 745876491 /nfs/dbraw/zinc/87/64/91/745876491.db2.gz ZYAULEHTDHPRLB-NVXWUHKLSA-N 1 3 353.576 2.583 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(Cl)n1 ZINC000841852947 747476587 /nfs/dbraw/zinc/47/65/87/747476587.db2.gz UKKCIQADMZHJTF-BFYDXBDKSA-N 1 3 364.921 2.672 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364233 747818362 /nfs/dbraw/zinc/81/83/62/747818362.db2.gz VDYSCCDKFQDOLQ-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364169 747818578 /nfs/dbraw/zinc/81/85/78/747818578.db2.gz PNVRHPRWYMVDGL-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@]3(C)C[C@]3(F)Cl)CC2)CC1 ZINC000844934784 748140392 /nfs/dbraw/zinc/14/03/92/748140392.db2.gz FKRPGEPCLQIHPZ-ZWKOTPCHSA-N 1 3 374.932 2.549 20 0 FFADHO CCCCCC[C@H](C)NC(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846221728 748433228 /nfs/dbraw/zinc/43/32/28/748433228.db2.gz DJSPFKQVJKEFGQ-OKYOBFRVSA-N 1 3 353.551 2.680 20 0 FFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)C1 ZINC000850491807 749373388 /nfs/dbraw/zinc/37/33/88/749373388.db2.gz QVRUJYBFIVXHAA-PUYAPDRXSA-N 1 3 354.482 2.930 20 0 FFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000853093277 750007322 /nfs/dbraw/zinc/00/73/22/750007322.db2.gz HQZLCPSJXAQHNM-GOSISDBHSA-N 1 3 351.535 2.955 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(C)c(C)s2)C1 ZINC001104810062 970873864 /nfs/dbraw/zinc/87/38/64/970873864.db2.gz YQJWDFLVWMHBHI-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCc1nc([C@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n[nH]1 ZINC000659994189 971074919 /nfs/dbraw/zinc/07/49/19/971074919.db2.gz SYXZGPNFKAWAEO-INIZCTEOSA-N 1 3 362.566 2.556 20 0 FFADHO CCN(CC)[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655688092 971432699 /nfs/dbraw/zinc/43/26/99/971432699.db2.gz KIDFNHHVFMJHTG-FGZHOGPDSA-N 1 3 359.558 2.782 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000660333756 971617743 /nfs/dbraw/zinc/61/77/43/971617743.db2.gz DSGQNYVOHQDOGU-HXUWFJFHSA-N 1 3 372.557 2.866 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)cs1 ZINC001087994923 971743379 /nfs/dbraw/zinc/74/33/79/971743379.db2.gz KOPQQFUWMLPCSE-MSOLQXFVSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)cs1 ZINC001087994923 971743388 /nfs/dbraw/zinc/74/33/88/971743388.db2.gz KOPQQFUWMLPCSE-MSOLQXFVSA-N 1 3 361.555 2.821 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)N(C)C)cc1 ZINC000652119739 972185345 /nfs/dbraw/zinc/18/53/45/972185345.db2.gz WYOSLIRQCTUDSL-ZVDOUQERSA-N 1 3 358.530 2.622 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccco4)C3)CC2)CC1 ZINC000654769547 958922686 /nfs/dbraw/zinc/92/26/86/958922686.db2.gz LZSNWERZVQYEDC-GOSISDBHSA-N 1 3 359.514 2.792 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C3CCN([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655688400 961072315 /nfs/dbraw/zinc/07/23/15/961072315.db2.gz ZLSKMFRTKHZFHR-QFIPXVFZSA-N 1 3 357.542 2.536 20 0 FFADHO FC(F)(F)c1cccnc1OCCNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655734635 961199248 /nfs/dbraw/zinc/19/92/48/961199248.db2.gz LDUIBPBWWATCOS-OAHLLOKOSA-N 1 3 373.419 2.712 20 0 FFADHO O[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000397577120 961527825 /nfs/dbraw/zinc/52/78/25/961527825.db2.gz CXCXMNOGBGMEEK-FQEVSTJZSA-N 1 3 374.912 2.990 20 0 FFADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)Cc2ccccc2C1 ZINC000649282423 1013320422 /nfs/dbraw/zinc/32/04/22/1013320422.db2.gz WYAUGCSKLXCNEK-UHFFFAOYSA-N 1 3 363.505 2.785 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc3ncccc23)c1 ZINC000873038036 1013358444 /nfs/dbraw/zinc/35/84/44/1013358444.db2.gz KFYZPJCICXLJAA-UHFFFAOYSA-N 1 3 362.477 2.816 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccccc2O1 ZINC000649347396 1013364109 /nfs/dbraw/zinc/36/41/09/1013364109.db2.gz VBQSAOWHDMPRGX-ZWKOTPCHSA-N 1 3 353.466 2.822 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C)CC[N@@H+]1C ZINC001095439923 1013378392 /nfs/dbraw/zinc/37/83/92/1013378392.db2.gz LAMZIECJWNWSBL-IFLJBQAJSA-N 1 3 355.526 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C)CC[N@H+]1C ZINC001095439923 1013378398 /nfs/dbraw/zinc/37/83/98/1013378398.db2.gz LAMZIECJWNWSBL-IFLJBQAJSA-N 1 3 355.526 2.947 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)NCc2cc(N)ccn2)c2cccs2)CC1 ZINC000891322695 963206562 /nfs/dbraw/zinc/20/65/62/963206562.db2.gz TZDMMNBZWUREEL-QGZVFWFLSA-N 1 3 373.526 2.998 20 0 FFADHO Cc1ncccc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322705 963289101 /nfs/dbraw/zinc/28/91/01/963289101.db2.gz YZCKNJOEWFWYIV-AHRSYUTCSA-N 1 3 360.546 2.550 20 0 FFADHO c1cc2n(n1)C[C@H](C[NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CN2 ZINC000684202605 963666712 /nfs/dbraw/zinc/66/67/12/963666712.db2.gz WAKJYRMFKUPTIX-ANULTFPQSA-N 1 3 365.525 2.815 20 0 FFADHO C[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000873233953 1013436565 /nfs/dbraw/zinc/43/65/65/1013436565.db2.gz CDNNWMFIFBANSI-VQIMIIECSA-N 1 3 352.482 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000960644633 1013438418 /nfs/dbraw/zinc/43/84/18/1013438418.db2.gz PZJCIHBTRPPUIX-SLFFLAALSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000960644633 1013438428 /nfs/dbraw/zinc/43/84/28/1013438428.db2.gz PZJCIHBTRPPUIX-SLFFLAALSA-N 1 3 361.505 2.979 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)c2)nn1 ZINC000873242585 1013442713 /nfs/dbraw/zinc/44/27/13/1013442713.db2.gz BVLKZIBLELOTJH-IEBWSBKVSA-N 1 3 362.481 2.937 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCc4c3cc(F)cc4F)c2)nn1 ZINC000873244071 1013444413 /nfs/dbraw/zinc/44/44/13/1013444413.db2.gz PUIZFQRSFJWRGM-LJQANCHMSA-N 1 3 355.392 2.781 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)c2)nn1 ZINC000873245359 1013445956 /nfs/dbraw/zinc/44/59/56/1013445956.db2.gz ZGFYPNMRLHKLKQ-LJQANCHMSA-N 1 3 367.428 2.869 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000664366470 964204274 /nfs/dbraw/zinc/20/42/74/964204274.db2.gz KSYBGFHSIMLGGG-KXBFYZLASA-N 1 3 365.481 2.672 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000664366470 964204285 /nfs/dbraw/zinc/20/42/85/964204285.db2.gz KSYBGFHSIMLGGG-KXBFYZLASA-N 1 3 365.481 2.672 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CN1C1CC1 ZINC000664368517 964204384 /nfs/dbraw/zinc/20/43/84/964204384.db2.gz SVWDZRQMGMFRRF-YFVAEKQCSA-N 1 3 370.541 2.570 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CN1C1CC1 ZINC000664368517 964204395 /nfs/dbraw/zinc/20/43/95/964204395.db2.gz SVWDZRQMGMFRRF-YFVAEKQCSA-N 1 3 370.541 2.570 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000891541635 964448167 /nfs/dbraw/zinc/44/81/67/964448167.db2.gz CYFOFDIJIUYAHG-HXUWFJFHSA-N 1 3 356.514 2.577 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000664608897 964763957 /nfs/dbraw/zinc/76/39/57/964763957.db2.gz QCSYDKHHYGTZLO-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000664608897 964763968 /nfs/dbraw/zinc/76/39/68/964763968.db2.gz QCSYDKHHYGTZLO-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)C1=CCN(C)CC1 ZINC000891764848 965040208 /nfs/dbraw/zinc/04/02/08/965040208.db2.gz HYVDBZMRJWQPAQ-ZWOKBUDYSA-N 1 3 362.562 2.966 20 0 FFADHO C[C@@H]1CN(CCC(=O)Nc2ccc(N(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC001175774535 1013556043 /nfs/dbraw/zinc/55/60/43/1013556043.db2.gz GBFHBUPWZOVMJY-QGZVFWFLSA-N 1 3 367.497 2.687 20 0 FFADHO CC(C)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087469331 965295465 /nfs/dbraw/zinc/29/54/65/965295465.db2.gz WYPUSWOXEOUDNI-RTBURBONSA-N 1 3 359.489 2.604 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000892119208 966009568 /nfs/dbraw/zinc/00/95/68/966009568.db2.gz OSNNJEOWKPHUKA-LJQANCHMSA-N 1 3 356.514 2.533 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccsc3)cc2)C1 ZINC000657597280 966937546 /nfs/dbraw/zinc/93/75/46/966937546.db2.gz SAMKBHAAJRONAM-LJQANCHMSA-N 1 3 368.506 2.995 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccsc3)cc2)C1 ZINC000657597280 966937554 /nfs/dbraw/zinc/93/75/54/966937554.db2.gz SAMKBHAAJRONAM-LJQANCHMSA-N 1 3 368.506 2.995 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657751052 967405589 /nfs/dbraw/zinc/40/55/89/967405589.db2.gz NZFIUYAQHOVAIE-OAQYLSRUSA-N 1 3 359.558 2.988 20 0 FFADHO COc1cc2c(c(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)c1)O[C@@H](C)C2 ZINC000650724105 967605644 /nfs/dbraw/zinc/60/56/44/967605644.db2.gz YHUBBRCVMURAMF-OBZTVWKBSA-N 1 3 360.498 2.879 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000650758097 967729929 /nfs/dbraw/zinc/72/99/29/967729929.db2.gz IUXIPJUUZMXJLR-MRXNPFEDSA-N 1 3 373.522 2.797 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNCc2cc(F)cc(F)c2)C1 ZINC001087245726 968004469 /nfs/dbraw/zinc/00/44/69/968004469.db2.gz HTYXHAFMRWADLH-ALKREAHSSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNCc2cc(F)cc(F)c2)C1 ZINC001087245726 968004480 /nfs/dbraw/zinc/00/44/80/968004480.db2.gz HTYXHAFMRWADLH-ALKREAHSSA-N 1 3 365.468 2.633 20 0 FFADHO CN(Cc1cnc(-c2ccccn2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457120 968224433 /nfs/dbraw/zinc/22/44/33/968224433.db2.gz DUKLMXDKMWJEMJ-KRWDZBQOSA-N 1 3 371.554 2.805 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc(C)c(OC)c1 ZINC001087578121 968232453 /nfs/dbraw/zinc/23/24/53/968232453.db2.gz BXYJBJBQDUXKGB-RSPOEFSDSA-N 1 3 373.541 2.813 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc(C)c(OC)c1 ZINC001087578121 968232462 /nfs/dbraw/zinc/23/24/62/968232462.db2.gz BXYJBJBQDUXKGB-RSPOEFSDSA-N 1 3 373.541 2.813 20 0 FFADHO CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@H]1CC ZINC001087653195 968518347 /nfs/dbraw/zinc/51/83/47/968518347.db2.gz JFOCWELODBPJBG-QILLFSRXSA-N 1 3 359.449 2.598 20 0 FFADHO CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@H]1CC ZINC001087653195 968518355 /nfs/dbraw/zinc/51/83/55/968518355.db2.gz JFOCWELODBPJBG-QILLFSRXSA-N 1 3 359.449 2.598 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001087684662 968598831 /nfs/dbraw/zinc/59/88/31/968598831.db2.gz HAGSCKJJNWBCFG-OKZBNKHCSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001087684662 968598842 /nfs/dbraw/zinc/59/88/42/968598842.db2.gz HAGSCKJJNWBCFG-OKZBNKHCSA-N 1 3 365.562 2.645 20 0 FFADHO Cc1noc2ncc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc12 ZINC000895251969 968784314 /nfs/dbraw/zinc/78/43/14/968784314.db2.gz QWCNOJLPHVQDBX-UHFFFAOYSA-N 1 3 351.454 2.928 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@@H+]1CCOC1CCC1 ZINC001087749724 968891474 /nfs/dbraw/zinc/89/14/74/968891474.db2.gz WUOUDYKIJJJICF-YSIASYRMSA-N 1 3 365.562 2.789 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@H+]1CCOC1CCC1 ZINC001087749724 968891481 /nfs/dbraw/zinc/89/14/81/968891481.db2.gz WUOUDYKIJJJICF-YSIASYRMSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000892598059 969555477 /nfs/dbraw/zinc/55/54/77/969555477.db2.gz IRRARSALVXPLLC-AYWYSENESA-N 1 3 370.541 2.823 20 0 FFADHO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659028485 969640725 /nfs/dbraw/zinc/64/07/25/969640725.db2.gz OHRGQZOQRWYDIE-LJQANCHMSA-N 1 3 360.502 2.735 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000659030387 969645063 /nfs/dbraw/zinc/64/50/63/969645063.db2.gz GNFINJYUQTYMBV-GJYPPUQNSA-N 1 3 360.502 2.732 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[N@H+]1CCCC[C@H]1C ZINC000659030387 969645069 /nfs/dbraw/zinc/64/50/69/969645069.db2.gz GNFINJYUQTYMBV-GJYPPUQNSA-N 1 3 360.502 2.732 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659036648 969648806 /nfs/dbraw/zinc/64/88/06/969648806.db2.gz SADSVEMYUBPRMQ-QFBILLFUSA-N 1 3 360.502 2.543 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659036648 969648811 /nfs/dbraw/zinc/64/88/11/969648811.db2.gz SADSVEMYUBPRMQ-QFBILLFUSA-N 1 3 360.502 2.543 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659042163 969664138 /nfs/dbraw/zinc/66/41/38/969664138.db2.gz UUHGWOSVYGFDHN-YLJYHZDGSA-N 1 3 374.529 2.837 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659042163 969664141 /nfs/dbraw/zinc/66/41/41/969664141.db2.gz UUHGWOSVYGFDHN-YLJYHZDGSA-N 1 3 374.529 2.837 20 0 FFADHO CCc1nn(C)cc1CN[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000092389514 969700198 /nfs/dbraw/zinc/70/01/98/969700198.db2.gz OBOBNIROMLARGP-HNNXBMFYSA-N 1 3 359.493 2.724 20 0 FFADHO Cc1csc(CNCC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001104639099 970007607 /nfs/dbraw/zinc/00/76/07/970007607.db2.gz KGGAPZYKVRHTMN-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)s1 ZINC001104676565 970084703 /nfs/dbraw/zinc/08/47/03/970084703.db2.gz PWIHPQAVJQOUFZ-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)n1cc(C2=CCC[N@H+](CCCN3CCN(C(C)C)CC3)CC2)nn1 ZINC000660717981 972622296 /nfs/dbraw/zinc/62/22/96/972622296.db2.gz NMHSBJQIDDWAJP-UHFFFAOYSA-N 1 3 374.577 2.754 20 0 FFADHO CC(C)n1cc(C2=CCC[N@@H+](CCCN3CCN(C(C)C)CC3)CC2)nn1 ZINC000660717981 972622306 /nfs/dbraw/zinc/62/23/06/972622306.db2.gz NMHSBJQIDDWAJP-UHFFFAOYSA-N 1 3 374.577 2.754 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088109501 972839725 /nfs/dbraw/zinc/83/97/25/972839725.db2.gz JFODUKGQYUHEEE-HKBOAZHASA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088109501 972839734 /nfs/dbraw/zinc/83/97/34/972839734.db2.gz JFODUKGQYUHEEE-HKBOAZHASA-N 1 3 357.542 2.924 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001088121097 972916070 /nfs/dbraw/zinc/91/60/70/972916070.db2.gz OHAQFHOQWLWJLE-OAGGEKHMSA-N 1 3 366.456 2.558 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001088121097 972916083 /nfs/dbraw/zinc/91/60/83/972916083.db2.gz OHAQFHOQWLWJLE-OAGGEKHMSA-N 1 3 366.456 2.558 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c(C)s1 ZINC001088121420 972919088 /nfs/dbraw/zinc/91/90/88/972919088.db2.gz FGLVHFXPSHVNMS-WBVHZDCISA-N 1 3 358.511 2.611 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c(C)s1 ZINC001088121420 972919096 /nfs/dbraw/zinc/91/90/96/972919096.db2.gz FGLVHFXPSHVNMS-WBVHZDCISA-N 1 3 358.511 2.611 20 0 FFADHO COCC(=O)NC1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054712 973036391 /nfs/dbraw/zinc/03/63/91/973036391.db2.gz SZYBSOGAGNMPTP-ROUUACIJSA-N 1 3 373.541 2.655 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088158032 973247846 /nfs/dbraw/zinc/24/78/46/973247846.db2.gz TZARFQDUXQFJHQ-QYZOEREBSA-N 1 3 353.526 2.635 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000665639052 973786826 /nfs/dbraw/zinc/78/68/26/973786826.db2.gz KIQIEFBJFZOYKB-GJZGRUSLSA-N 1 3 370.488 2.939 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000665639052 973786836 /nfs/dbraw/zinc/78/68/36/973786836.db2.gz KIQIEFBJFZOYKB-GJZGRUSLSA-N 1 3 370.488 2.939 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000893439398 973966398 /nfs/dbraw/zinc/96/63/98/973966398.db2.gz FQKJWQTULCCENQ-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000893439398 973966408 /nfs/dbraw/zinc/96/64/08/973966408.db2.gz FQKJWQTULCCENQ-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H](O)CN2CCCC2)cc1 ZINC000796525470 1014154299 /nfs/dbraw/zinc/15/42/99/1014154299.db2.gz YCOHQBZTBVNOPS-NRFANRHFSA-N 1 3 369.509 2.592 20 0 FFADHO COc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H](O)CN2CCCC2)cc1 ZINC000796525470 1014154304 /nfs/dbraw/zinc/15/43/04/1014154304.db2.gz YCOHQBZTBVNOPS-NRFANRHFSA-N 1 3 369.509 2.592 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000665758593 974085256 /nfs/dbraw/zinc/08/52/56/974085256.db2.gz KHMAHGCITDGDLV-AZUAARDMSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000665758593 974085262 /nfs/dbraw/zinc/08/52/62/974085262.db2.gz KHMAHGCITDGDLV-AZUAARDMSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000665757777 974085497 /nfs/dbraw/zinc/08/54/97/974085497.db2.gz WJPFHAHGSVMTSB-NLWGTHIKSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000665757777 974085505 /nfs/dbraw/zinc/08/55/05/974085505.db2.gz WJPFHAHGSVMTSB-NLWGTHIKSA-N 1 3 360.546 2.846 20 0 FFADHO Cn1ccnc1C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655718965 974090939 /nfs/dbraw/zinc/09/09/39/974090939.db2.gz RDFQXIFNGWUWQS-LEWJYISDSA-N 1 3 368.525 2.937 20 0 FFADHO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762001 974098055 /nfs/dbraw/zinc/09/80/55/974098055.db2.gz XFIBJUFVJMSWTD-KRWDZBQOSA-N 1 3 373.545 2.971 20 0 FFADHO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762001 974098060 /nfs/dbraw/zinc/09/80/60/974098060.db2.gz XFIBJUFVJMSWTD-KRWDZBQOSA-N 1 3 373.545 2.971 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000897320769 974231021 /nfs/dbraw/zinc/23/10/21/974231021.db2.gz DQKURNZDYFXLPF-OXQOHEQNSA-N 1 3 361.530 2.923 20 0 FFADHO COc1ccc([C@@H](NCCCN2CCC[N@H+](C)CC2)c2ccccn2)cc1 ZINC000652150220 974632062 /nfs/dbraw/zinc/63/20/62/974632062.db2.gz PLJJNMJOVWCMJK-JOCHJYFZSA-N 1 3 368.525 2.797 20 0 FFADHO COc1ccc([C@@H](NCCCN2CCC[N@@H+](C)CC2)c2ccccn2)cc1 ZINC000652150220 974632065 /nfs/dbraw/zinc/63/20/65/974632065.db2.gz PLJJNMJOVWCMJK-JOCHJYFZSA-N 1 3 368.525 2.797 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000893485458 974650816 /nfs/dbraw/zinc/65/08/16/974650816.db2.gz YFYJQUVLQXMMJL-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000893485458 974650818 /nfs/dbraw/zinc/65/08/18/974650818.db2.gz YFYJQUVLQXMMJL-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000652283508 974767010 /nfs/dbraw/zinc/76/70/10/974767010.db2.gz LHXRQWAZGOAREB-UHFFFAOYSA-N 1 3 370.497 2.805 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)CC1 ZINC000647723417 975167637 /nfs/dbraw/zinc/16/76/37/975167637.db2.gz DNKHFQDFYCJXNG-LJQANCHMSA-N 1 3 373.516 2.982 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000662152813 975268928 /nfs/dbraw/zinc/26/89/28/975268928.db2.gz HGLVNWQAEBGDPA-HXUWFJFHSA-N 1 3 358.530 2.711 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1CNC2)Cc1ccccc1 ZINC000662379902 975464037 /nfs/dbraw/zinc/46/40/37/975464037.db2.gz FROCPKKCDYKKBJ-IBGZPJMESA-N 1 3 351.494 2.973 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CCNC2 ZINC000662481707 975599706 /nfs/dbraw/zinc/59/97/06/975599706.db2.gz ADKPLASXJNVMLY-QGZVFWFLSA-N 1 3 369.534 2.988 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CCNC2 ZINC000662481707 975599717 /nfs/dbraw/zinc/59/97/17/975599717.db2.gz ADKPLASXJNVMLY-QGZVFWFLSA-N 1 3 369.534 2.988 20 0 FFADHO CCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC)[C@H]1CCN(C)C1 ZINC000663621491 976475238 /nfs/dbraw/zinc/47/52/38/976475238.db2.gz DQKNKYKKLWMVTL-VQTJNVASSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cccc(F)c2)CC3)CC[N@@H+]1C ZINC000990759503 976932486 /nfs/dbraw/zinc/93/24/86/976932486.db2.gz CHXRQIPXUGFUIF-ZXFPDNNPSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cccc(F)c2)CC3)CC[N@H+]1C ZINC000990759503 976932494 /nfs/dbraw/zinc/93/24/94/976932494.db2.gz CHXRQIPXUGFUIF-ZXFPDNNPSA-N 1 3 359.489 2.779 20 0 FFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028152397 976947012 /nfs/dbraw/zinc/94/70/12/976947012.db2.gz UYAXKHBUTXJJQT-NJYVYQBISA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028152397 976947027 /nfs/dbraw/zinc/94/70/27/976947027.db2.gz UYAXKHBUTXJJQT-NJYVYQBISA-N 1 3 355.526 2.879 20 0 FFADHO CCN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(C)C1 ZINC000663816317 977415029 /nfs/dbraw/zinc/41/50/29/977415029.db2.gz XDFYNTKNOQXFHT-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)(C)OC(=O)N1CCCC[C@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000876990260 1014441999 /nfs/dbraw/zinc/44/19/99/1014441999.db2.gz VWLUCTKLBSDRLV-KRWDZBQOSA-N 1 3 369.550 2.601 20 0 FFADHO Cc1ccc(NC(=O)c2ccc(NCC[N@@H+](C)CCCN(C)C)nc2)cc1 ZINC000664248389 978436874 /nfs/dbraw/zinc/43/68/74/978436874.db2.gz UZDZBGPDKNPUTR-UHFFFAOYSA-N 1 3 369.513 2.938 20 0 FFADHO Cc1ccc(NC(=O)c2ccc(NCC[N@H+](C)CCCN(C)C)nc2)cc1 ZINC000664248389 978436876 /nfs/dbraw/zinc/43/68/76/978436876.db2.gz UZDZBGPDKNPUTR-UHFFFAOYSA-N 1 3 369.513 2.938 20 0 FFADHO CC1(C)CC(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C4CC4)N4CCCC4)[C@@H]3C2)C1 ZINC001076086042 979094560 /nfs/dbraw/zinc/09/45/60/979094560.db2.gz MIQUALOFWBZMNE-ZCNNSNEGSA-N 1 3 359.558 2.830 20 0 FFADHO CC1(C)CC(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C4CC4)N4CCCC4)[C@@H]3C2)C1 ZINC001076086042 979094562 /nfs/dbraw/zinc/09/45/62/979094562.db2.gz MIQUALOFWBZMNE-ZCNNSNEGSA-N 1 3 359.558 2.830 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001076083533 979101784 /nfs/dbraw/zinc/10/17/84/979101784.db2.gz FNYJKZUGUBWVLQ-PWRODBHTSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001076083533 979101791 /nfs/dbraw/zinc/10/17/91/979101791.db2.gz FNYJKZUGUBWVLQ-PWRODBHTSA-N 1 3 359.558 2.974 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc5c(c4)CCC5)C[C@H]32)C1 ZINC001076242709 979274366 /nfs/dbraw/zinc/27/43/66/979274366.db2.gz OVLSFHKFQYULKC-BULFRSBZSA-N 1 3 367.537 2.550 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)CCC5)C[C@H]32)C1 ZINC001076242709 979274369 /nfs/dbraw/zinc/27/43/69/979274369.db2.gz OVLSFHKFQYULKC-BULFRSBZSA-N 1 3 367.537 2.550 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001076244356 979278291 /nfs/dbraw/zinc/27/82/91/979278291.db2.gz PLXBBGQFOKPKLN-VOQZNFBZSA-N 1 3 367.537 2.939 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001076244356 979278293 /nfs/dbraw/zinc/27/82/93/979278293.db2.gz PLXBBGQFOKPKLN-VOQZNFBZSA-N 1 3 367.537 2.939 20 0 FFADHO O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000877402359 1014573492 /nfs/dbraw/zinc/57/34/92/1014573492.db2.gz CKMBNOUUSYOSGJ-WOJBJXKFSA-N 1 3 370.541 2.722 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)C1 ZINC001076457838 979516263 /nfs/dbraw/zinc/51/62/63/979516263.db2.gz SUQRWGRJOUMLCH-NQJADLAWSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)C1 ZINC001076457838 979516269 /nfs/dbraw/zinc/51/62/69/979516269.db2.gz SUQRWGRJOUMLCH-NQJADLAWSA-N 1 3 353.510 2.574 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001168124770 979591695 /nfs/dbraw/zinc/59/16/95/979591695.db2.gz YNUDTFYYERTTEV-UYAOXDASSA-N 1 3 359.514 2.564 20 0 FFADHO C[NH+](C)CCc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000668111703 979750134 /nfs/dbraw/zinc/75/01/34/979750134.db2.gz VDJNEIVARUZORE-JKSUJKDBSA-N 1 3 374.403 2.713 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCOC1CCCCCC1 ZINC001088836042 979858164 /nfs/dbraw/zinc/85/81/64/979858164.db2.gz BNRYBYGVYRUJCA-XLIONFOSSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1NCCn2c(-c3nc(-c4cccc(OCC[NH+](C)C)c4)no3)ccc21 ZINC000904601747 980307473 /nfs/dbraw/zinc/30/74/73/980307473.db2.gz GSTFZQKVBDGUJK-AWEZNQCLSA-N 1 3 367.453 2.810 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654351513 1014671640 /nfs/dbraw/zinc/67/16/40/1014671640.db2.gz ISFUKNFZDPYCOW-HSALFYBXSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654351513 1014671645 /nfs/dbraw/zinc/67/16/45/1014671645.db2.gz ISFUKNFZDPYCOW-HSALFYBXSA-N 1 3 356.514 2.577 20 0 FFADHO CN1CC[NH+](C2CCN(Cc3cccc(-c4cccnc4)c3)CC2)CC1 ZINC000877747216 1014707166 /nfs/dbraw/zinc/70/71/66/1014707166.db2.gz CMMKZWCJRLKLJH-UHFFFAOYSA-N 1 3 350.510 2.960 20 0 FFADHO CCCN1CCN(c2ccccc2CNc2cnn(CC[NH+](C)C)c2)CC1 ZINC000151902987 981273889 /nfs/dbraw/zinc/27/38/89/981273889.db2.gz RQMMSIMNIBWZMC-UHFFFAOYSA-N 1 3 370.545 2.589 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC001168351377 983038991 /nfs/dbraw/zinc/03/89/91/983038991.db2.gz RHDVFIGZCJLBJI-WBVHZDCISA-N 1 3 355.498 2.798 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)c1cccc(OC)c1 ZINC000668899830 983909100 /nfs/dbraw/zinc/90/91/00/983909100.db2.gz ARHSLZDLZXHOSM-MJGOQNOKSA-N 1 3 362.518 2.519 20 0 FFADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168530417 984291304 /nfs/dbraw/zinc/29/13/04/984291304.db2.gz SWYHSKQEJREENU-JHJVBQTASA-N 1 3 353.429 2.843 20 0 FFADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168530417 984291308 /nfs/dbraw/zinc/29/13/08/984291308.db2.gz SWYHSKQEJREENU-JHJVBQTASA-N 1 3 353.429 2.843 20 0 FFADHO c1ccc(O[C@@H]2CO[C@@]3(C2)CCC[N@@H+](C2CCN(CC4CC4)CC2)C3)nc1 ZINC001168378628 984348163 /nfs/dbraw/zinc/34/81/63/984348163.db2.gz ZSIWEYMPTHLERQ-RBBKRZOGSA-N 1 3 371.525 2.958 20 0 FFADHO c1ccc(O[C@@H]2CO[C@@]3(C2)CCC[N@H+](C2CCN(CC4CC4)CC2)C3)nc1 ZINC001168378628 984348169 /nfs/dbraw/zinc/34/81/69/984348169.db2.gz ZSIWEYMPTHLERQ-RBBKRZOGSA-N 1 3 371.525 2.958 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@H]3CN(C4CC[NH+](CC5CC5)CC4)CCN3C2)c1 ZINC001168380892 984374383 /nfs/dbraw/zinc/37/43/83/984374383.db2.gz VDJPJCPKWYVZIB-RBBKRZOGSA-N 1 3 373.516 2.837 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)N1CCc2ccccc2C1 ZINC000669292942 984414835 /nfs/dbraw/zinc/41/48/35/984414835.db2.gz XITXZGMCWBLDGA-AHRSYUTCSA-N 1 3 358.530 2.592 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2)N(C)C ZINC001107450087 984552019 /nfs/dbraw/zinc/55/20/19/984552019.db2.gz BNDCMYBCZJCMTP-KCZVDYSFSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccccc1)CC2)N(C)C ZINC001107450087 984552022 /nfs/dbraw/zinc/55/20/22/984552022.db2.gz BNDCMYBCZJCMTP-KCZVDYSFSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2)N(C)C ZINC001107451632 984555594 /nfs/dbraw/zinc/55/55/94/984555594.db2.gz ZHVNPIJSVDCQGJ-JFIYKMOQSA-N 1 3 357.489 2.733 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2)N(C)C ZINC001107451632 984555598 /nfs/dbraw/zinc/55/55/98/984555598.db2.gz ZHVNPIJSVDCQGJ-JFIYKMOQSA-N 1 3 357.489 2.733 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000669427683 984572621 /nfs/dbraw/zinc/57/26/21/984572621.db2.gz ZFGKIIHVBCKPKC-IHPCNDPISA-N 1 3 358.530 2.949 20 0 FFADHO C[C@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495246 984596697 /nfs/dbraw/zinc/59/66/97/984596697.db2.gz LMEHJGCDSGVUDJ-SQGPQFPESA-N 1 3 353.526 2.970 20 0 FFADHO C[C@H](F)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495246 984596700 /nfs/dbraw/zinc/59/67/00/984596700.db2.gz LMEHJGCDSGVUDJ-SQGPQFPESA-N 1 3 353.526 2.970 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669483519 984648330 /nfs/dbraw/zinc/64/83/30/984648330.db2.gz AJMBBSOPOHUXPE-MHTWAQMVSA-N 1 3 370.541 2.901 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)s1)CC2)N(C)C ZINC001107550639 984668363 /nfs/dbraw/zinc/66/83/63/984668363.db2.gz GLXHWNRYMUDZLO-YQVWRLOYSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnc(C)s1)CC2)N(C)C ZINC001107550639 984668366 /nfs/dbraw/zinc/66/83/66/984668366.db2.gz GLXHWNRYMUDZLO-YQVWRLOYSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ccncc1C[N@@H+]1CC[C@@]2(CNC(=O)CN3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546996 984673249 /nfs/dbraw/zinc/67/32/49/984673249.db2.gz WXMGNUQXSIXLQZ-NQSCKRDGSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1ccncc1C[N@H+]1CC[C@@]2(CNC(=O)CN3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546996 984673252 /nfs/dbraw/zinc/67/32/52/984673252.db2.gz WXMGNUQXSIXLQZ-NQSCKRDGSA-N 1 3 370.541 2.593 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cnc(C)s1)CC2 ZINC001107598499 984775773 /nfs/dbraw/zinc/77/57/73/984775773.db2.gz GCESENQLDXPHEZ-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cnc(C)s1)CC2 ZINC001107598499 984775776 /nfs/dbraw/zinc/77/57/76/984775776.db2.gz GCESENQLDXPHEZ-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO O=C(CCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107643867 984926948 /nfs/dbraw/zinc/92/69/48/984926948.db2.gz WARXDIKPVCINEJ-PPJOAQQTSA-N 1 3 353.938 2.976 20 0 FFADHO C[C@H](C[C@@H]1CCOC1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000765096207 984961445 /nfs/dbraw/zinc/96/14/45/984961445.db2.gz WKCPGLBBRRYABL-IRLDBZIGSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1cc2ccccc2o1 ZINC001088980991 985733773 /nfs/dbraw/zinc/73/37/73/985733773.db2.gz YGXBMLHTYJMRDF-GJYPPUQNSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1cc2ccccc2o1 ZINC001088980991 985733785 /nfs/dbraw/zinc/73/37/85/985733785.db2.gz YGXBMLHTYJMRDF-GJYPPUQNSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000672602869 987503536 /nfs/dbraw/zinc/50/35/36/987503536.db2.gz KAYDFNWYHALKMG-KZNAEPCWSA-N 1 3 357.502 2.807 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247153 987751998 /nfs/dbraw/zinc/75/19/98/987751998.db2.gz WKMVZCFDCRTFCA-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO Cc1cccc(CCC[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001106249236 987756212 /nfs/dbraw/zinc/75/62/12/987756212.db2.gz DEHKWNASTVIOGQ-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCc1ccccc1 ZINC001106249403 987756287 /nfs/dbraw/zinc/75/62/87/987756287.db2.gz GMQJFSMUWFXBJN-DUXKGJEZSA-N 1 3 357.542 2.644 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1)N(C)C ZINC001106281947 987839690 /nfs/dbraw/zinc/83/96/90/987839690.db2.gz MPOJIGDYZDLVHK-QRQLOZEOSA-N 1 3 365.587 2.951 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000762271417 988267623 /nfs/dbraw/zinc/26/76/23/988267623.db2.gz KEOMYALFCQLOQP-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106517311 988323644 /nfs/dbraw/zinc/32/36/44/988323644.db2.gz ZNCAWCQYMCRKRT-XPWVWULPSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cccc(OC3CC3)c1F)C2 ZINC000922390221 988544961 /nfs/dbraw/zinc/54/49/61/988544961.db2.gz LUXKYZSTHVNLEO-DEPWHIHDSA-N 1 3 362.489 2.936 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cccc(OC3CC3)c1F)C2 ZINC000922390221 988544971 /nfs/dbraw/zinc/54/49/71/988544971.db2.gz LUXKYZSTHVNLEO-DEPWHIHDSA-N 1 3 362.489 2.936 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ccccc1F ZINC001106672180 988619470 /nfs/dbraw/zinc/61/94/70/988619470.db2.gz IQRLCLJEPUUILB-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)O2 ZINC000922793395 988910300 /nfs/dbraw/zinc/91/03/00/988910300.db2.gz DJTUCTQAKMEPQS-PAJWEWNKSA-N 1 3 364.530 2.872 20 0 FFADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CN[C@@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000922793395 988910310 /nfs/dbraw/zinc/91/03/10/988910310.db2.gz DJTUCTQAKMEPQS-PAJWEWNKSA-N 1 3 364.530 2.872 20 0 FFADHO COc1ccccc1CNC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247478 1015436654 /nfs/dbraw/zinc/43/66/54/1015436654.db2.gz BIWCGVQRLFBHTR-QGZVFWFLSA-N 1 3 359.514 2.508 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2nccs2)[C@H](C)C1 ZINC001106775481 989018060 /nfs/dbraw/zinc/01/80/60/989018060.db2.gz JXFDQZZDYDLXBY-IAGOWNOFSA-N 1 3 366.575 2.839 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCOC2)[C@H](C)C1 ZINC001106775700 989019441 /nfs/dbraw/zinc/01/94/41/989019441.db2.gz ZGJMONCMDJJTDD-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](CNCc2cnc(C)o2)[C@H](C)C1)C(C)C ZINC001106776049 989021459 /nfs/dbraw/zinc/02/14/59/989021459.db2.gz BMEQULBHWIZAJU-SZVBFZGTSA-N 1 3 364.534 2.534 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001085196702 989103461 /nfs/dbraw/zinc/10/34/61/989103461.db2.gz KNPPDYDQMONIAU-VAMGGRTRSA-N 1 3 358.530 2.780 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCCC2CC[NH2+]CC2)N2CCCC2)c1 ZINC000652119898 1015470028 /nfs/dbraw/zinc/47/00/28/1015470028.db2.gz GMTYVBHAYAALFR-HXUWFJFHSA-N 1 3 374.529 2.521 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001033834049 989746014 /nfs/dbraw/zinc/74/60/14/989746014.db2.gz MYPZCAHQTDAKRW-NZSAHSFTSA-N 1 3 361.505 2.631 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001033834049 989746024 /nfs/dbraw/zinc/74/60/24/989746024.db2.gz MYPZCAHQTDAKRW-NZSAHSFTSA-N 1 3 361.505 2.631 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000917004459 990090598 /nfs/dbraw/zinc/09/05/98/990090598.db2.gz VTYYNHDYFRAAHM-YLJYHZDGSA-N 1 3 355.482 2.768 20 0 FFADHO Cc1ccccc1NC(=O)C[C@@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000676056404 990453591 /nfs/dbraw/zinc/45/35/91/990453591.db2.gz DUKAXWRAMCCDNZ-QGZVFWFLSA-N 1 3 370.497 2.837 20 0 FFADHO CCN1CCN(CCC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000130374389 990530060 /nfs/dbraw/zinc/53/00/60/990530060.db2.gz RLQDGEURXRCHJJ-UHFFFAOYSA-N 1 3 372.557 2.885 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920566600 990876825 /nfs/dbraw/zinc/87/68/25/990876825.db2.gz HTRAAYCPGBWDEI-UKRRQHHQSA-N 1 3 366.408 2.735 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920566600 990876833 /nfs/dbraw/zinc/87/68/33/990876833.db2.gz HTRAAYCPGBWDEI-UKRRQHHQSA-N 1 3 366.408 2.735 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1cccc(F)c1 ZINC001079211258 991874925 /nfs/dbraw/zinc/87/49/25/991874925.db2.gz YTNYIEYKELCKKY-ZCNNSNEGSA-N 1 3 361.505 2.994 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1c1ccccc1F ZINC001079314742 991988228 /nfs/dbraw/zinc/98/82/28/991988228.db2.gz IRUJHICZKMGKMF-SXLOBPIMSA-N 1 3 361.505 2.993 20 0 FFADHO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001079495057 992162428 /nfs/dbraw/zinc/16/24/28/992162428.db2.gz WYTHPMIUCBOXFS-QRQLOZEOSA-N 1 3 359.514 2.505 20 0 FFADHO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001079495057 992162432 /nfs/dbraw/zinc/16/24/32/992162432.db2.gz WYTHPMIUCBOXFS-QRQLOZEOSA-N 1 3 359.514 2.505 20 0 FFADHO CC(C)Oc1ccccc1CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079495057 992162434 /nfs/dbraw/zinc/16/24/34/992162434.db2.gz WYTHPMIUCBOXFS-QRQLOZEOSA-N 1 3 359.514 2.505 20 0 FFADHO CC(C)Oc1ccccc1CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079495057 992162437 /nfs/dbraw/zinc/16/24/37/992162437.db2.gz WYTHPMIUCBOXFS-QRQLOZEOSA-N 1 3 359.514 2.505 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001079726246 992364852 /nfs/dbraw/zinc/36/48/52/992364852.db2.gz KHLIUXMSLGIQCM-DEPWHIHDSA-N 1 3 357.542 2.916 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001079726246 992364860 /nfs/dbraw/zinc/36/48/60/992364860.db2.gz KHLIUXMSLGIQCM-DEPWHIHDSA-N 1 3 357.542 2.916 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2cccs2)CC[N@@H+]1C ZINC001095921430 1015716042 /nfs/dbraw/zinc/71/60/42/1015716042.db2.gz UDGBYBUDDULMJG-KWWJQKEASA-N 1 3 361.555 2.742 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2cccs2)CC[N@H+]1C ZINC001095921430 1015716048 /nfs/dbraw/zinc/71/60/48/1015716048.db2.gz UDGBYBUDDULMJG-KWWJQKEASA-N 1 3 361.555 2.742 20 0 FFADHO Cc1ccc(C)c(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001080036063 992686398 /nfs/dbraw/zinc/68/63/98/992686398.db2.gz JDYNWDYQIZRHJL-UYAOXDASSA-N 1 3 355.526 2.868 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC001085196949 992705386 /nfs/dbraw/zinc/70/53/86/992705386.db2.gz WEJUPZMFYBNADL-ZACQAIPSSA-N 1 3 350.532 2.533 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC001107038943 993290212 /nfs/dbraw/zinc/29/02/12/993290212.db2.gz HRCMYHYEEDVJBA-DYESRHJHSA-N 1 3 357.542 2.700 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(C)(N4CCC4)CC3)c2cc1C ZINC000880472576 1015843855 /nfs/dbraw/zinc/84/38/55/1015843855.db2.gz UEQQHZSCFMJACP-SFHVURJKSA-N 1 3 356.514 2.574 20 0 FFADHO CC(C)=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001131515265 994343177 /nfs/dbraw/zinc/34/31/77/994343177.db2.gz AIVARWMZJWMBDJ-AABGKKOBSA-N 1 3 365.562 2.525 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(CC[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000880500722 1015856414 /nfs/dbraw/zinc/85/64/14/1015856414.db2.gz VEMQVYMZHNWDBV-BAGYTPMASA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(CC[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000880500722 1015856419 /nfs/dbraw/zinc/85/64/19/1015856419.db2.gz VEMQVYMZHNWDBV-BAGYTPMASA-N 1 3 357.542 2.836 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001131571030 994409642 /nfs/dbraw/zinc/40/96/42/994409642.db2.gz YAGOKIUDLVJSBZ-LZKQAESESA-N 1 3 365.562 2.669 20 0 FFADHO C[C@H](Nc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1)[C@@H]1CNCCO1 ZINC001170571625 994415107 /nfs/dbraw/zinc/41/51/07/994415107.db2.gz NKKVYPWQWFUJFZ-XJABCFGWSA-N 1 3 368.525 2.954 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001131608646 994455119 /nfs/dbraw/zinc/45/51/19/994455119.db2.gz JWLAZFQXMUKKPO-QUCCMNQESA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001082507092 994787239 /nfs/dbraw/zinc/78/72/39/994787239.db2.gz BPDQPZLRYMONSI-NSISKUIASA-N 1 3 361.505 2.678 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)c1 ZINC001082507366 994788225 /nfs/dbraw/zinc/78/82/25/994788225.db2.gz NWTCDCCZXOTZNA-NSISKUIASA-N 1 3 361.505 2.943 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)c1 ZINC001082507366 994788237 /nfs/dbraw/zinc/78/82/37/994788237.db2.gz NWTCDCCZXOTZNA-NSISKUIASA-N 1 3 361.505 2.943 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507537 994789016 /nfs/dbraw/zinc/78/90/16/994789016.db2.gz VCPQJVHNWFFHTA-FSPWUOQZSA-N 1 3 364.559 2.569 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082507537 994789027 /nfs/dbraw/zinc/78/90/27/994789027.db2.gz VCPQJVHNWFFHTA-FSPWUOQZSA-N 1 3 364.559 2.569 20 0 FFADHO CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000810556470 994817834 /nfs/dbraw/zinc/81/78/34/994817834.db2.gz NLQLBPKJAICBTK-NQIIRXRSSA-N 1 3 361.505 2.932 20 0 FFADHO CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000810556470 994817841 /nfs/dbraw/zinc/81/78/41/994817841.db2.gz NLQLBPKJAICBTK-NQIIRXRSSA-N 1 3 361.505 2.932 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001082544585 994887530 /nfs/dbraw/zinc/88/75/30/994887530.db2.gz JPEKDNQAJDSMNF-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001082544585 994887540 /nfs/dbraw/zinc/88/75/40/994887540.db2.gz JPEKDNQAJDSMNF-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC001082557684 994927383 /nfs/dbraw/zinc/92/73/83/994927383.db2.gz ZBIYVDZHECORKV-NIKGAXFTSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001082557656 994928200 /nfs/dbraw/zinc/92/82/00/994928200.db2.gz WRDLBYYBZZTXEQ-CRAIPNDOSA-N 1 3 355.482 2.854 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082559770 994934321 /nfs/dbraw/zinc/93/43/21/994934321.db2.gz PCPUZHJWNDCSGH-DUXKGJEZSA-N 1 3 370.541 2.734 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559770 994934335 /nfs/dbraw/zinc/93/43/35/994934335.db2.gz PCPUZHJWNDCSGH-DUXKGJEZSA-N 1 3 370.541 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001082560051 994935710 /nfs/dbraw/zinc/93/57/10/994935710.db2.gz YBYMWCCAXBGMRH-ZMYBRWDISA-N 1 3 363.933 2.659 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2sccc2Cl)C1)[NH+](C)C ZINC001082574961 994996138 /nfs/dbraw/zinc/99/61/38/994996138.db2.gz CNCKYISIDSFAMT-XPKDYRNWSA-N 1 3 357.951 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2Cl)C1)N(C)C ZINC001082589012 995001695 /nfs/dbraw/zinc/00/16/95/995001695.db2.gz CODYFPRBUWHKRV-ZTFGCOKTSA-N 1 3 351.922 2.659 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1)N(C)C ZINC001082589342 995002126 /nfs/dbraw/zinc/00/21/26/995002126.db2.gz WSVQBTORBQMQFD-KBRIMQKVSA-N 1 3 353.457 2.901 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)s1 ZINC001086695277 995154778 /nfs/dbraw/zinc/15/47/78/995154778.db2.gz JQDQLKQESRFNOS-GVDBMIGSSA-N 1 3 364.559 2.699 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)s1 ZINC001086695277 995154784 /nfs/dbraw/zinc/15/47/84/995154784.db2.gz JQDQLKQESRFNOS-GVDBMIGSSA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC2CC2)CC[N@@H+]1C ZINC001054042350 1015930590 /nfs/dbraw/zinc/93/05/90/1015930590.db2.gz WNNVZJCEGWBVMF-QHAWAJNXSA-N 1 3 355.526 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC2CC2)CC[N@H+]1C ZINC001054042350 1015930596 /nfs/dbraw/zinc/93/05/96/1015930596.db2.gz WNNVZJCEGWBVMF-QHAWAJNXSA-N 1 3 355.526 2.670 20 0 FFADHO C[C@H](NCc1ccc(CC(N)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679289011 1015985999 /nfs/dbraw/zinc/98/59/99/1015985999.db2.gz JBKJYCMCHOZAIA-UWJYYQICSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@H](NCc1ccc(CC(N)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679289011 1015986006 /nfs/dbraw/zinc/98/60/06/1015986006.db2.gz JBKJYCMCHOZAIA-UWJYYQICSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679289011 1015986015 /nfs/dbraw/zinc/98/60/15/1015986015.db2.gz JBKJYCMCHOZAIA-UWJYYQICSA-N 1 3 351.494 2.715 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccc(Cl)cc2)C1 ZINC001096538193 1016000431 /nfs/dbraw/zinc/00/04/31/1016000431.db2.gz AHWLQDHZMUPSCR-YSHGAJCASA-N 1 3 361.917 2.556 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccc(Cl)cc2)C1 ZINC001096538193 1016000442 /nfs/dbraw/zinc/00/04/42/1016000442.db2.gz AHWLQDHZMUPSCR-YSHGAJCASA-N 1 3 361.917 2.556 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084338565 996468240 /nfs/dbraw/zinc/46/82/40/996468240.db2.gz WVYPKLHCQLHUDM-HSALFYBXSA-N 1 3 359.558 2.972 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084338565 996468242 /nfs/dbraw/zinc/46/82/42/996468242.db2.gz WVYPKLHCQLHUDM-HSALFYBXSA-N 1 3 359.558 2.972 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]3C2)cc1 ZINC001084429099 996527986 /nfs/dbraw/zinc/52/79/86/996527986.db2.gz LYQUAIKMWZALHT-VSKRKVRLSA-N 1 3 371.569 2.910 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]3C2)cc1 ZINC001084429099 996527990 /nfs/dbraw/zinc/52/79/90/996527990.db2.gz LYQUAIKMWZALHT-VSKRKVRLSA-N 1 3 371.569 2.910 20 0 FFADHO O=C(N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084445078 996598777 /nfs/dbraw/zinc/59/87/77/996598777.db2.gz PZOIWZDZJODJBD-WOJBJXKFSA-N 1 3 357.542 2.896 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21)[NH+]1CCCC1 ZINC001084571732 996684925 /nfs/dbraw/zinc/68/49/25/996684925.db2.gz BMWJGZGYTRZWLL-WOJBJXKFSA-N 1 3 355.526 2.636 20 0 FFADHO Cc1cccc([C@@H](C)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001084630404 996736024 /nfs/dbraw/zinc/73/60/24/996736024.db2.gz DZCSVZBZDXKXCW-DUXKGJEZSA-N 1 3 355.526 2.931 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]3C2)c1 ZINC001084638586 996752399 /nfs/dbraw/zinc/75/23/99/996752399.db2.gz ITIQHXKGINUBAR-NJDAHSKKSA-N 1 3 357.542 2.922 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccnn2-c2ccncc2)C1)C(=O)OC(C)(C)C ZINC000824710681 997065406 /nfs/dbraw/zinc/06/54/06/997065406.db2.gz YDRXNZGGGFPMSS-MRXNPFEDSA-N 1 3 371.485 2.956 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccncc2)C1)C(=O)OC(C)(C)C ZINC000824710681 997065417 /nfs/dbraw/zinc/06/54/17/997065417.db2.gz YDRXNZGGGFPMSS-MRXNPFEDSA-N 1 3 371.485 2.956 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CCC5)cc4)C[C@H]32)C1 ZINC001084831320 997576726 /nfs/dbraw/zinc/57/67/26/997576726.db2.gz GTTWVLJKQCOZBE-YPAWHYETSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CCC5)cc4)C[C@H]32)C1 ZINC001084831320 997576737 /nfs/dbraw/zinc/57/67/37/997576737.db2.gz GTTWVLJKQCOZBE-YPAWHYETSA-N 1 3 367.537 2.939 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)c1 ZINC001084850024 997657906 /nfs/dbraw/zinc/65/79/06/997657906.db2.gz FYRGTDPRKYMDGM-NHCUHLMSSA-N 1 3 355.526 2.904 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000844224250 997714925 /nfs/dbraw/zinc/71/49/25/997714925.db2.gz DTSFYJIXVWZMJQ-HDICACEKSA-N 1 3 356.514 2.547 20 0 FFADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cccc(CN2CCCC2)c1 ZINC000844194298 997718025 /nfs/dbraw/zinc/71/80/25/997718025.db2.gz DIFOHUFPRFUETJ-UHFFFAOYSA-N 1 3 353.470 2.656 20 0 FFADHO COc1c(F)cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1Cl ZINC001143854472 997745862 /nfs/dbraw/zinc/74/58/62/997745862.db2.gz WJBKDWHYSGXEQK-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903759556 1016181335 /nfs/dbraw/zinc/18/13/35/1016181335.db2.gz AHEPHLDMQAJHMO-VQTJNVASSA-N 1 3 356.514 2.530 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001084939195 998233133 /nfs/dbraw/zinc/23/31/33/998233133.db2.gz WEPAPGDTMVAYAH-KURKYZTESA-N 1 3 369.500 2.827 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001084939195 998233143 /nfs/dbraw/zinc/23/31/43/998233143.db2.gz WEPAPGDTMVAYAH-KURKYZTESA-N 1 3 369.500 2.827 20 0 FFADHO COc1cc2c(cc1OC)C1(CCC1)N(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903786624 1016198726 /nfs/dbraw/zinc/19/87/26/1016198726.db2.gz NCLQFSKDDHWURJ-DYESRHJHSA-N 1 3 372.509 2.710 20 0 FFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793994 1016203265 /nfs/dbraw/zinc/20/32/65/1016203265.db2.gz MJOGCUAOKQVPOT-HXUWFJFHSA-N 1 3 351.494 2.808 20 0 FFADHO CCc1cccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c1 ZINC001144321352 998320254 /nfs/dbraw/zinc/32/02/54/998320254.db2.gz IPNCJERLPDJDAV-UHFFFAOYSA-N 1 3 353.510 2.573 20 0 FFADHO CCc1cccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c1 ZINC001144321352 998320264 /nfs/dbraw/zinc/32/02/64/998320264.db2.gz IPNCJERLPDJDAV-UHFFFAOYSA-N 1 3 353.510 2.573 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)cc1F ZINC001085093150 998925681 /nfs/dbraw/zinc/92/56/81/998925681.db2.gz JGZPQSWEGSOEMT-HBFSDRIKSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)cc1F ZINC001085093150 998925683 /nfs/dbraw/zinc/92/56/83/998925683.db2.gz JGZPQSWEGSOEMT-HBFSDRIKSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(OCc3ccccc3)CC2)cnn1C ZINC000903878290 1016281385 /nfs/dbraw/zinc/28/13/85/1016281385.db2.gz FTLAJLSUERUMJG-IBGZPJMESA-N 1 3 356.514 2.527 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN(Cc2ccccc2)C[C@H]2CCCO2)cnn1C ZINC000903886328 1016287467 /nfs/dbraw/zinc/28/74/67/1016287467.db2.gz PISAIWLOHUDWJV-PZJWPPBQSA-N 1 3 356.514 2.527 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001085331398 999375124 /nfs/dbraw/zinc/37/51/24/999375124.db2.gz IOUQYJNKGKTQCY-DJIMGWMZSA-N 1 3 364.921 2.736 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)CC1 ZINC001085380554 999432007 /nfs/dbraw/zinc/43/20/07/999432007.db2.gz DGDDNRGCUTZCMU-QZTJIDSGSA-N 1 3 364.559 2.781 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000743036958 999796992 /nfs/dbraw/zinc/79/69/92/999796992.db2.gz PFGQQELSVMTFKA-AZUAARDMSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000743036958 999796993 /nfs/dbraw/zinc/79/69/93/999796993.db2.gz PFGQQELSVMTFKA-AZUAARDMSA-N 1 3 374.598 2.942 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001086371158 999875848 /nfs/dbraw/zinc/87/58/48/999875848.db2.gz STLOHZOOBJQPME-LZLXCTOHSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001086371158 999875849 /nfs/dbraw/zinc/87/58/49/999875849.db2.gz STLOHZOOBJQPME-LZLXCTOHSA-N 1 3 365.468 2.680 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C2 ZINC001169100030 1000020633 /nfs/dbraw/zinc/02/06/33/1000020633.db2.gz ZTJGXJCTAGZPFT-APIJFGDWSA-N 1 3 359.461 2.846 20 0 FFADHO Cn1cc(CN2CCCC23CC[NH+]([C@@H]2CCCC4(C2)OCCO4)CC3)cn1 ZINC001169945091 1000089362 /nfs/dbraw/zinc/08/93/62/1000089362.db2.gz IBNLBLZTWJJXCJ-LJQANCHMSA-N 1 3 374.529 2.536 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001109359219 1000309741 /nfs/dbraw/zinc/30/97/41/1000309741.db2.gz BJKYQXBQROPRLM-FYQPLNBISA-N 1 3 361.505 2.631 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001109359219 1000309744 /nfs/dbraw/zinc/30/97/44/1000309744.db2.gz BJKYQXBQROPRLM-FYQPLNBISA-N 1 3 361.505 2.631 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1 ZINC001109650181 1000780318 /nfs/dbraw/zinc/78/03/18/1000780318.db2.gz XBAVVAGLSZDDIH-AABGKKOBSA-N 1 3 355.526 2.812 20 0 FFADHO CC(C)OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841878 1001070167 /nfs/dbraw/zinc/07/01/67/1001070167.db2.gz ZQULTDNSEFLIAI-HKBOAZHASA-N 1 3 373.541 2.898 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091721102 1001140527 /nfs/dbraw/zinc/14/05/27/1001140527.db2.gz QIPPIWZZYXDOBE-AOIWGVFYSA-N 1 3 369.500 2.686 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091721102 1001140531 /nfs/dbraw/zinc/14/05/31/1001140531.db2.gz QIPPIWZZYXDOBE-AOIWGVFYSA-N 1 3 369.500 2.686 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2csc(C)n2)C1 ZINC001112557580 1001468172 /nfs/dbraw/zinc/46/81/72/1001468172.db2.gz NHYHZNKPNMDWBT-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2csc(C)n2)C1 ZINC001112557580 1001468175 /nfs/dbraw/zinc/46/81/75/1001468175.db2.gz NHYHZNKPNMDWBT-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO Cc1cccc(Cl)c1CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001276207631 1016542034 /nfs/dbraw/zinc/54/20/34/1016542034.db2.gz NEIUXLGPJDSWLY-QGZVFWFLSA-N 1 3 363.933 2.928 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC001183154306 1002175286 /nfs/dbraw/zinc/17/52/86/1002175286.db2.gz OTESEPIQXMAPRA-LJQANCHMSA-N 1 3 361.530 2.973 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]3(C)C2)c1 ZINC001091984698 1002177589 /nfs/dbraw/zinc/17/75/89/1002177589.db2.gz AQNRMXHGUDTFNC-SJBKTWHCSA-N 1 3 357.542 2.862 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]3(C)C2)c1 ZINC001091984698 1002177597 /nfs/dbraw/zinc/17/75/97/1002177597.db2.gz AQNRMXHGUDTFNC-SJBKTWHCSA-N 1 3 357.542 2.862 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)N(C)C ZINC001183363232 1002240554 /nfs/dbraw/zinc/24/05/54/1002240554.db2.gz UXEWLCPLKMGYEK-ZIBCJSCZSA-N 1 3 372.557 2.727 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)N(C)C ZINC001183363232 1002240561 /nfs/dbraw/zinc/24/05/61/1002240561.db2.gz UXEWLCPLKMGYEK-ZIBCJSCZSA-N 1 3 372.557 2.727 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccccc1 ZINC001086587899 1002397200 /nfs/dbraw/zinc/39/72/00/1002397200.db2.gz TUBRYJYUPHESMQ-ZCNNSNEGSA-N 1 3 361.505 2.803 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1 ZINC001086587899 1002397216 /nfs/dbraw/zinc/39/72/16/1002397216.db2.gz TUBRYJYUPHESMQ-ZCNNSNEGSA-N 1 3 361.505 2.803 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC([NH+](CC)CC)CC3)cc2)CC1 ZINC000073490727 1002711495 /nfs/dbraw/zinc/71/14/95/1002711495.db2.gz GJVXNCBHQGCBCG-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086619065 1003534384 /nfs/dbraw/zinc/53/43/84/1003534384.db2.gz YJTOINNDBMBWJS-LEWJYISDSA-N 1 3 355.526 2.713 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1cnn(CCC[NH+](C)C)c1 ZINC001187117523 1003557805 /nfs/dbraw/zinc/55/78/05/1003557805.db2.gz DOMVWXNOKAPYMW-UHFFFAOYSA-N 1 3 356.518 2.639 20 0 FFADHO COc1ccc2c(c1)CCN(C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001192956007 1004326207 /nfs/dbraw/zinc/32/62/07/1004326207.db2.gz MXZRBEZHDNPMPK-QHCPKHFHSA-N 1 3 366.505 2.733 20 0 FFADHO COc1ccc2c(c1)CCN(C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001192956007 1004326211 /nfs/dbraw/zinc/32/62/11/1004326211.db2.gz MXZRBEZHDNPMPK-QHCPKHFHSA-N 1 3 366.505 2.733 20 0 FFADHO COc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170524533 1004590334 /nfs/dbraw/zinc/59/03/34/1004590334.db2.gz AUYYASQAIHSYEY-UHFFFAOYSA-N 1 3 350.466 3.000 20 0 FFADHO CC(C)[PH+](CCNC(=O)c1cnccc1N1CCN(C)CC1)C(C)C ZINC001199359802 1004917168 /nfs/dbraw/zinc/91/71/68/1004917168.db2.gz KGACWQLHZSOLDZ-UHFFFAOYSA-N 1 3 364.474 2.862 20 0 FFADHO COc1nccc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)c1F ZINC001199403249 1004933676 /nfs/dbraw/zinc/93/36/76/1004933676.db2.gz NRJZBTQZZNRBLR-UHFFFAOYSA-N 1 3 372.488 2.921 20 0 FFADHO Cc1cc(C)c(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001137326138 1016955163 /nfs/dbraw/zinc/95/51/63/1016955163.db2.gz STXNSNQXNOHBFF-WOJBJXKFSA-N 1 3 358.530 2.539 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1C ZINC001488968108 1005388589 /nfs/dbraw/zinc/38/85/89/1005388589.db2.gz QPVYRDRYAPANFP-PKOBYXMFSA-N 1 3 361.530 2.718 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCc3ccsc3)CC[C@@H]2C1 ZINC001489208334 1005433353 /nfs/dbraw/zinc/43/33/53/1005433353.db2.gz RRYQHUVMDLYXJR-MOPGFXCFSA-N 1 3 363.571 2.801 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCCc3ccsc3)CC[C@@H]2C1 ZINC001489208334 1005433354 /nfs/dbraw/zinc/43/33/54/1005433354.db2.gz RRYQHUVMDLYXJR-MOPGFXCFSA-N 1 3 363.571 2.801 20 0 FFADHO COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001489292077 1005450711 /nfs/dbraw/zinc/45/07/11/1005450711.db2.gz XBMYMIPBPQUNAU-UWVAXJGDSA-N 1 3 371.541 2.595 20 0 FFADHO COCCCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001489292077 1005450712 /nfs/dbraw/zinc/45/07/12/1005450712.db2.gz XBMYMIPBPQUNAU-UWVAXJGDSA-N 1 3 371.541 2.595 20 0 FFADHO CCCCCC[C@](O)(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC ZINC000851859984 1005918460 /nfs/dbraw/zinc/91/84/60/1005918460.db2.gz DBDIQVICFAMSBW-DSKINZAPSA-N 1 3 366.546 2.810 20 0 FFADHO CCCCCC[C@](O)(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC ZINC000851859984 1005918463 /nfs/dbraw/zinc/91/84/63/1005918463.db2.gz DBDIQVICFAMSBW-DSKINZAPSA-N 1 3 366.546 2.810 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001097085362 1017012692 /nfs/dbraw/zinc/01/26/92/1017012692.db2.gz DMYKYSKKPPFTPS-MBDNFAEBSA-N 1 3 367.537 2.867 20 0 FFADHO Cc1cc(CNCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cs1 ZINC001134126604 1006186949 /nfs/dbraw/zinc/18/69/49/1006186949.db2.gz ZKRLIEOWCNIFGI-MOPGFXCFSA-N 1 3 357.523 2.608 20 0 FFADHO Cc1cc(CNCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cs1 ZINC001134126604 1006186954 /nfs/dbraw/zinc/18/69/54/1006186954.db2.gz ZKRLIEOWCNIFGI-MOPGFXCFSA-N 1 3 357.523 2.608 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189311406 1007014051 /nfs/dbraw/zinc/01/40/51/1007014051.db2.gz KTADJBRQKZTSHC-SLFFLAALSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189311406 1007014061 /nfs/dbraw/zinc/01/40/61/1007014061.db2.gz KTADJBRQKZTSHC-SLFFLAALSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1)[NH+](C)C ZINC001110693321 1007031292 /nfs/dbraw/zinc/03/12/92/1007031292.db2.gz HCAQGHUGFFCLFQ-YRXWBPOGSA-N 1 3 363.571 2.988 20 0 FFADHO CN(C)C1(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000817101876 1007408443 /nfs/dbraw/zinc/40/84/43/1007408443.db2.gz OZRRKXBFFIPOJD-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNCc2nc(C)cs2)CC[N@@H+]1C ZINC001170878223 1007740783 /nfs/dbraw/zinc/74/07/83/1007740783.db2.gz LCGSYVPRJPTGOK-BHYGNILZSA-N 1 3 366.575 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNCc2nc(C)cs2)CC[N@H+]1C ZINC001170878223 1007740795 /nfs/dbraw/zinc/74/07/95/1007740795.db2.gz LCGSYVPRJPTGOK-BHYGNILZSA-N 1 3 366.575 2.946 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1)C(C)C ZINC000885866598 1007809794 /nfs/dbraw/zinc/80/97/94/1007809794.db2.gz ZOWGSNWQJMUYJP-OAQYLSRUSA-N 1 3 373.541 2.900 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1)C(C)C ZINC000885866598 1007809799 /nfs/dbraw/zinc/80/97/99/1007809799.db2.gz ZOWGSNWQJMUYJP-OAQYLSRUSA-N 1 3 373.541 2.900 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817932148 1007813984 /nfs/dbraw/zinc/81/39/84/1007813984.db2.gz RIERYZDTMGPVEK-NDXORKPFSA-N 1 3 368.477 2.886 20 0 FFADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc(N2CCOC2=O)c1 ZINC000817941341 1007818665 /nfs/dbraw/zinc/81/86/65/1007818665.db2.gz SXLXPYGRMQROFR-MRXNPFEDSA-N 1 3 354.454 2.869 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCC[NH2+]C1 ZINC000817983464 1007838053 /nfs/dbraw/zinc/83/80/53/1007838053.db2.gz DWFJJEQVXFBDGG-SJORKVTESA-N 1 3 357.498 2.963 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC000856591917 1007903301 /nfs/dbraw/zinc/90/33/01/1007903301.db2.gz RGDNGWKZDWRSIP-FPOVZHCZSA-N 1 3 360.546 2.861 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CCN(CC[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC000856591917 1007903306 /nfs/dbraw/zinc/90/33/06/1007903306.db2.gz RGDNGWKZDWRSIP-FPOVZHCZSA-N 1 3 360.546 2.861 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001086819866 1007908094 /nfs/dbraw/zinc/90/80/94/1007908094.db2.gz FFMZIZBQOOGVPP-JZXOWHBKSA-N 1 3 364.559 2.781 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000818538207 1007933155 /nfs/dbraw/zinc/93/31/55/1007933155.db2.gz DMHKNZVAAWTXRO-IBGZPJMESA-N 1 3 373.497 2.832 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000818539839 1007935707 /nfs/dbraw/zinc/93/57/07/1007935707.db2.gz VSQDMTZKXTZIFA-OALUTQOASA-N 1 3 373.497 2.832 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000819084136 1008030096 /nfs/dbraw/zinc/03/00/96/1008030096.db2.gz KBURGXGRXNWKPJ-KDOFPFPSSA-N 1 3 372.431 2.829 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819086233 1008030704 /nfs/dbraw/zinc/03/07/04/1008030704.db2.gz ZBXUBZPVCIPADR-KSSFIOAISA-N 1 3 372.431 2.829 20 0 FFADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1C(F)(F)F ZINC000819062464 1008035141 /nfs/dbraw/zinc/03/51/41/1008035141.db2.gz QHBJBPBBSJKFRL-MAUKXSAKSA-N 1 3 372.431 2.972 20 0 FFADHO C[C@H]([C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)N1CCOCC1 ZINC000886524071 1008716044 /nfs/dbraw/zinc/71/60/44/1008716044.db2.gz BULIFUGQTBZJKW-ITEKTMBMSA-N 1 3 357.542 2.738 20 0 FFADHO CC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886524022 1008716477 /nfs/dbraw/zinc/71/64/77/1008716477.db2.gz AXOCLIZDWBXKOR-BDTNDASRSA-N 1 3 355.526 2.888 20 0 FFADHO CCCN1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1=O ZINC000886628649 1008782723 /nfs/dbraw/zinc/78/27/23/1008782723.db2.gz YCVYQVHCJQJITL-BQJUDKOJSA-N 1 3 355.526 2.888 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CN1C1CC1 ZINC000886633053 1008784783 /nfs/dbraw/zinc/78/47/83/1008784783.db2.gz MAMSVTRIOWPCFC-PXCRPINLSA-N 1 3 353.510 2.640 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C ZINC001093024641 1009637448 /nfs/dbraw/zinc/63/74/48/1009637448.db2.gz BNOBBCBEBUHYEQ-QWFCFKBJSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C ZINC001093024641 1009637453 /nfs/dbraw/zinc/63/74/53/1009637453.db2.gz BNOBBCBEBUHYEQ-QWFCFKBJSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H](NCC1(C[NH+](C)C)CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862326777 1009792240 /nfs/dbraw/zinc/79/22/40/1009792240.db2.gz UGPKSFUUXYJFFB-DLBZAZTESA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000863544959 1010251206 /nfs/dbraw/zinc/25/12/06/1010251206.db2.gz FZEUHJFMEJAOBV-BRWVUGGUSA-N 1 3 357.498 2.962 20 0 FFADHO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCCN(C)[C@H]3C2)C1 ZINC001182319512 1010496757 /nfs/dbraw/zinc/49/67/57/1010496757.db2.gz UHDRJOPCOGCCLW-HKBOAZHASA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCCN(C)[C@H]3C2)C1 ZINC001182319512 1010496763 /nfs/dbraw/zinc/49/67/63/1010496763.db2.gz UHDRJOPCOGCCLW-HKBOAZHASA-N 1 3 355.526 2.760 20 0 FFADHO CN(C)C1(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000120149206 1010530453 /nfs/dbraw/zinc/53/04/53/1010530453.db2.gz WARDPPQEDBPFRT-UHFFFAOYSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001093824319 1010595232 /nfs/dbraw/zinc/59/52/32/1010595232.db2.gz PYOZIZGJGNFGHO-YSGRDPCXSA-N 1 3 361.505 2.680 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H](C)O1 ZINC000865470831 1010793327 /nfs/dbraw/zinc/79/33/27/1010793327.db2.gz GTRSKRDFGTUWCV-OALUTQOASA-N 1 3 373.541 2.902 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001094042081 1010803232 /nfs/dbraw/zinc/80/32/32/1010803232.db2.gz IXMWTJSVSDJDNO-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2F)[C@H](C)C1 ZINC001094041164 1010803330 /nfs/dbraw/zinc/80/33/30/1010803330.db2.gz YHGOVNWMGQJVJJ-BFYDXBDKSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1C ZINC001094042195 1010804999 /nfs/dbraw/zinc/80/49/99/1010804999.db2.gz NPGMOJURXXTKKH-LDQXTDLNSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@H]1CCc2ccc(F)cc2[C@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000866262954 1010965821 /nfs/dbraw/zinc/96/58/21/1010965821.db2.gz JJYBHNACAPMQCD-BTYIYWSLSA-N 1 3 361.505 2.981 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2 ZINC001094413411 1011099305 /nfs/dbraw/zinc/09/93/05/1011099305.db2.gz FFFHGRQIDATUAA-TUNNFDKTSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2 ZINC001094413411 1011099314 /nfs/dbraw/zinc/09/93/14/1011099314.db2.gz FFFHGRQIDATUAA-TUNNFDKTSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000868172612 1011190123 /nfs/dbraw/zinc/19/01/23/1011190123.db2.gz MFMGNJHAMAUMCA-UHFFFAOYSA-N 1 3 360.502 2.801 20 0 FFADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)CC1(C)C ZINC001171641955 1011423187 /nfs/dbraw/zinc/42/31/87/1011423187.db2.gz XIXMGRMVGANSEW-QGZVFWFLSA-N 1 3 365.562 2.645 20 0 FFADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)CC1(C)C ZINC001171641955 1011423193 /nfs/dbraw/zinc/42/31/93/1011423193.db2.gz XIXMGRMVGANSEW-QGZVFWFLSA-N 1 3 365.562 2.645 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274407795 1011427675 /nfs/dbraw/zinc/42/76/75/1011427675.db2.gz GOTDJAKEUGDYDO-IBGZPJMESA-N 1 3 358.530 2.704 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274407795 1011427678 /nfs/dbraw/zinc/42/76/78/1011427678.db2.gz GOTDJAKEUGDYDO-IBGZPJMESA-N 1 3 358.530 2.704 20 0 FFADHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171776375 1011468156 /nfs/dbraw/zinc/46/81/56/1011468156.db2.gz VAZUHYFFKFLEPU-FQEVSTJZSA-N 1 3 353.485 2.830 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645483225 1011498939 /nfs/dbraw/zinc/49/89/39/1011498939.db2.gz PAOMSUBTGSBRGR-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645483225 1011498948 /nfs/dbraw/zinc/49/89/48/1011498948.db2.gz PAOMSUBTGSBRGR-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)[C@@H]2C1 ZINC001274637289 1011549211 /nfs/dbraw/zinc/54/92/11/1011549211.db2.gz DSBVVNWUKHAGAG-YQVWRLOYSA-N 1 3 361.917 2.715 20 0 FFADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)[C@@H]2C1 ZINC001274637289 1011549220 /nfs/dbraw/zinc/54/92/20/1011549220.db2.gz DSBVVNWUKHAGAG-YQVWRLOYSA-N 1 3 361.917 2.715 20 0 FFADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CN(c4cnccn4)C2)C3)cc1 ZINC001172075847 1011611782 /nfs/dbraw/zinc/61/17/82/1011611782.db2.gz FXXYCRXZQSUNCX-ZKTXZKFHSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CN(c4ccncn4)C2)C3)cc1 ZINC001172070074 1011630747 /nfs/dbraw/zinc/63/07/47/1011630747.db2.gz LVAWBKBBFNWPOU-ZKTXZKFHSA-N 1 3 363.509 2.841 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)[C@@H]1CCCc3ccccc31)C2 ZINC001172110874 1011644506 /nfs/dbraw/zinc/64/45/06/1011644506.db2.gz QHLXQAVJOKTHFC-WERVVEIQSA-N 1 3 355.526 2.828 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)[C@@H]1CCCc3ccccc31)C2 ZINC001172110874 1011644512 /nfs/dbraw/zinc/64/45/12/1011644512.db2.gz QHLXQAVJOKTHFC-WERVVEIQSA-N 1 3 355.526 2.828 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C)s1 ZINC001216980394 1032577455 /nfs/dbraw/zinc/57/74/55/1032577455.db2.gz IQDMYHOURKXKAR-CRAIPNDOSA-N 1 3 364.559 2.654 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000646256259 1011819642 /nfs/dbraw/zinc/81/96/42/1011819642.db2.gz VMNVNDPIEKXGJS-QFBILLFUSA-N 1 3 367.497 2.718 20 0 FFADHO CCOC(=O)C1CC[NH+](C2CCN([C@@H](C)CCOC(C)C)CC2)CC1 ZINC001172444036 1011820578 /nfs/dbraw/zinc/82/05/78/1011820578.db2.gz RFZQGIUOKQXICV-KRWDZBQOSA-N 1 3 354.535 2.930 20 0 FFADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275069453 1011883175 /nfs/dbraw/zinc/88/31/75/1011883175.db2.gz QDZVBILJZNKVMH-CZTZKLFOSA-N 1 3 357.542 2.912 20 0 FFADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275069453 1011883189 /nfs/dbraw/zinc/88/31/89/1011883189.db2.gz QDZVBILJZNKVMH-CZTZKLFOSA-N 1 3 357.542 2.912 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646377941 1011886939 /nfs/dbraw/zinc/88/69/39/1011886939.db2.gz CDBPLBUUVLQPPK-ACRUOGEOSA-N 1 3 355.526 2.889 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001095904006 1011981112 /nfs/dbraw/zinc/98/11/12/1011981112.db2.gz WEIJGXOUWNDASP-XWSJACJDSA-N 1 3 351.510 2.865 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001095904006 1011981133 /nfs/dbraw/zinc/98/11/33/1011981133.db2.gz WEIJGXOUWNDASP-XWSJACJDSA-N 1 3 351.510 2.865 20 0 FFADHO C[C@@H]1CC[C@@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173059885 1012214765 /nfs/dbraw/zinc/21/47/65/1012214765.db2.gz LKOUHVNVAPCJBZ-QBPKDAKJSA-N 1 3 367.534 2.745 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001173078764 1012246633 /nfs/dbraw/zinc/24/66/33/1012246633.db2.gz NNSXZMQITOLXKS-HNNXBMFYSA-N 1 3 359.436 2.695 20 0 FFADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173370224 1012513171 /nfs/dbraw/zinc/51/31/71/1012513171.db2.gz BAVCCHVSGYKCDO-FPCVCCKLSA-N 1 3 370.534 2.639 20 0 FFADHO COc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@H](N(C)C)C3)CC2)cc1 ZINC001173402138 1012529342 /nfs/dbraw/zinc/52/93/42/1012529342.db2.gz OUYURCDYUBWOTA-OALUTQOASA-N 1 3 359.514 2.762 20 0 FFADHO COc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@@H](N(C)C)C3)CC2)cc1 ZINC001173402141 1012532056 /nfs/dbraw/zinc/53/20/56/1012532056.db2.gz OUYURCDYUBWOTA-RTBURBONSA-N 1 3 359.514 2.762 20 0 FFADHO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009839 1032647689 /nfs/dbraw/zinc/64/76/89/1032647689.db2.gz NSFTVUCDOZHUSJ-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009839 1032647695 /nfs/dbraw/zinc/64/76/95/1032647695.db2.gz NSFTVUCDOZHUSJ-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978189 1012653207 /nfs/dbraw/zinc/65/32/07/1012653207.db2.gz NXVJLENQJLYABJ-UXHICEINSA-N 1 3 373.541 2.803 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978610 1012653300 /nfs/dbraw/zinc/65/33/00/1012653300.db2.gz VOVUXWJLIVLZEQ-VQTJNVASSA-N 1 3 373.541 2.803 20 0 FFADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000870990431 1012670989 /nfs/dbraw/zinc/67/09/89/1012670989.db2.gz DPEVFZBRUHRCSH-WIYYLYMNSA-N 1 3 358.530 2.517 20 0 FFADHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2ccccc2o1 ZINC001095240911 1012821197 /nfs/dbraw/zinc/82/11/97/1012821197.db2.gz IVKPVBYTIQQDKL-XGXHKWSGSA-N 1 3 353.466 2.749 20 0 FFADHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2ccccc2o1 ZINC001095240911 1012821217 /nfs/dbraw/zinc/82/12/17/1012821217.db2.gz IVKPVBYTIQQDKL-XGXHKWSGSA-N 1 3 353.466 2.749 20 0 FFADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc2ccccc2o1 ZINC001095240911 1012821240 /nfs/dbraw/zinc/82/12/40/1012821240.db2.gz IVKPVBYTIQQDKL-XGXHKWSGSA-N 1 3 353.466 2.749 20 0 FFADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc2ccccc2o1 ZINC001095240911 1012821255 /nfs/dbraw/zinc/82/12/55/1012821255.db2.gz IVKPVBYTIQQDKL-XGXHKWSGSA-N 1 3 353.466 2.749 20 0 FFADHO FC(F)(F)CN1CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001173664087 1012852530 /nfs/dbraw/zinc/85/25/30/1012852530.db2.gz OAXBTIBHNRPTDT-UHFFFAOYSA-N 1 3 370.463 2.910 20 0 FFADHO Cc1csc(CN2CC[C@@]3(C2)c2ccccc2N(CC[NH+](C)C)C3=O)n1 ZINC001275683324 1012855296 /nfs/dbraw/zinc/85/52/96/1012855296.db2.gz NQFGTASSYJLIJS-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000871357535 1012882249 /nfs/dbraw/zinc/88/22/49/1012882249.db2.gz MWAKRSKPSHGKDR-JSOIOWGOSA-N 1 3 358.530 2.673 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3CCC(C)([NH+](C)C)CC3)cc2)CC1 ZINC000871358415 1012882752 /nfs/dbraw/zinc/88/27/52/1012882752.db2.gz UMZQSRIOLYQHCA-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO c1nnn([C@H]2CCC[C@@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)C2)n1 ZINC001173764983 1012957794 /nfs/dbraw/zinc/95/77/94/1012957794.db2.gz CBTHAJLYZCLMMQ-UXHICEINSA-N 1 3 366.513 2.755 20 0 FFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCc3ccccc3F)CC2)C1=O ZINC001275751695 1012961091 /nfs/dbraw/zinc/96/10/91/1012961091.db2.gz GNLVMGXIBRYUGR-OAQYLSRUSA-N 1 3 361.505 2.634 20 0 FFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCc3ccccc3F)CC2)C1=O ZINC001275751695 1012961099 /nfs/dbraw/zinc/96/10/99/1012961099.db2.gz GNLVMGXIBRYUGR-OAQYLSRUSA-N 1 3 361.505 2.634 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001097177669 1017152810 /nfs/dbraw/zinc/15/28/10/1017152810.db2.gz XSORQJUHKWVVSA-WCXIOVBPSA-N 1 3 355.473 2.628 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001097177669 1017152819 /nfs/dbraw/zinc/15/28/19/1017152819.db2.gz XSORQJUHKWVVSA-WCXIOVBPSA-N 1 3 355.473 2.628 20 0 FFADHO COc1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)ccc1OCCO ZINC000924730909 1017454081 /nfs/dbraw/zinc/45/40/81/1017454081.db2.gz VDEMNHZMEMIDPZ-MRXNPFEDSA-N 1 3 358.482 2.979 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000924949736 1017560336 /nfs/dbraw/zinc/56/03/36/1017560336.db2.gz HHNIYACFRJDCPL-URVUXULASA-N 1 3 358.574 2.513 20 0 FFADHO CN(C)C(=O)CC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000679737737 1017604132 /nfs/dbraw/zinc/60/41/32/1017604132.db2.gz BARSCNWSXCWDGJ-UHFFFAOYSA-N 1 3 373.541 2.852 20 0 FFADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000925720426 1017824783 /nfs/dbraw/zinc/82/47/83/1017824783.db2.gz HKHXOEOOLPXPJY-XLAORIBOSA-N 1 3 360.502 2.925 20 0 FFADHO C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000925720426 1017824803 /nfs/dbraw/zinc/82/48/03/1017824803.db2.gz HKHXOEOOLPXPJY-XLAORIBOSA-N 1 3 360.502 2.925 20 0 FFADHO c1nnc([C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C2CCCCC2)[nH]1 ZINC000925819002 1017862128 /nfs/dbraw/zinc/86/21/28/1017862128.db2.gz WZTXXITVNHLYDQ-HXUWFJFHSA-N 1 3 368.529 2.621 20 0 FFADHO Fc1ccc([C@H](NCCCCCN2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000925842566 1017866770 /nfs/dbraw/zinc/86/67/70/1017866770.db2.gz ALKDJWMTQAKOGY-NRFANRHFSA-N 1 3 356.489 2.975 20 0 FFADHO Cc1cc(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)ccn1 ZINC001137411347 1017982698 /nfs/dbraw/zinc/98/26/98/1017982698.db2.gz ACKMDBAKZOBFEU-UHFFFAOYSA-N 1 3 366.509 2.900 20 0 FFADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@H]2c2ccccc2)C1 ZINC000680818446 1018195283 /nfs/dbraw/zinc/19/52/83/1018195283.db2.gz YHXFHMBITNBKQU-RTWAWAEBSA-N 1 3 373.541 2.687 20 0 FFADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@H]2c2ccccc2)C1 ZINC000680818446 1018195292 /nfs/dbraw/zinc/19/52/92/1018195292.db2.gz YHXFHMBITNBKQU-RTWAWAEBSA-N 1 3 373.541 2.687 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1(C)C ZINC000827863628 1018800551 /nfs/dbraw/zinc/80/05/51/1018800551.db2.gz MDZROHJRSQKNGO-GHTZIAJQSA-N 1 3 365.562 2.680 20 0 FFADHO C[NH+](C)CCOCCNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000388009574 1019550551 /nfs/dbraw/zinc/55/05/51/1019550551.db2.gz OUABRNFSGJGIAG-UHFFFAOYSA-N 1 3 363.502 2.652 20 0 FFADHO C[C@H](CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[N@H+](C)Cc1ccccc1 ZINC000390792869 1019879190 /nfs/dbraw/zinc/87/91/90/1019879190.db2.gz XOGNCHUHVHAXRO-OXQOHEQNSA-N 1 3 364.493 2.674 20 0 FFADHO C[C@H](CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[N@@H+](C)Cc1ccccc1 ZINC000390792869 1019879214 /nfs/dbraw/zinc/87/92/14/1019879214.db2.gz XOGNCHUHVHAXRO-OXQOHEQNSA-N 1 3 364.493 2.674 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1)[NH+](C)C ZINC001110993959 1020108644 /nfs/dbraw/zinc/10/86/44/1020108644.db2.gz HCAQGHUGFFCLFQ-AKHDSKFASA-N 1 3 363.571 2.988 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)C1 ZINC001096345284 1020170978 /nfs/dbraw/zinc/17/09/78/1020170978.db2.gz LQNPCJPZJWNMAX-YRPNKDGESA-N 1 3 359.489 2.719 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)C1 ZINC001096345284 1020170982 /nfs/dbraw/zinc/17/09/82/1020170982.db2.gz LQNPCJPZJWNMAX-YRPNKDGESA-N 1 3 359.489 2.719 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c(C)s1 ZINC001096350404 1020188482 /nfs/dbraw/zinc/18/84/82/1020188482.db2.gz IPEGBUBVPCSNTG-YSHGAJCASA-N 1 3 361.555 2.928 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c(C)s1 ZINC001096350404 1020188484 /nfs/dbraw/zinc/18/84/84/1020188484.db2.gz IPEGBUBVPCSNTG-YSHGAJCASA-N 1 3 361.555 2.928 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000902750354 1020450705 /nfs/dbraw/zinc/45/07/05/1020450705.db2.gz FYQVJNHVTJNZPS-LHGONGGSSA-N 1 3 369.553 2.727 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c1C ZINC001098219847 1020741754 /nfs/dbraw/zinc/74/17/54/1020741754.db2.gz VAHMWVVFXMYNCX-NBYUQASBSA-N 1 3 371.525 2.567 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1C ZINC001098219847 1020741761 /nfs/dbraw/zinc/74/17/61/1020741761.db2.gz VAHMWVVFXMYNCX-NBYUQASBSA-N 1 3 371.525 2.567 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900959369 1020751863 /nfs/dbraw/zinc/75/18/63/1020751863.db2.gz XFDSMYWKKZOAFI-ICSRJNTNSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900959369 1020751871 /nfs/dbraw/zinc/75/18/71/1020751871.db2.gz XFDSMYWKKZOAFI-ICSRJNTNSA-N 1 3 357.498 2.599 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(O)cc1Br ZINC001219009249 1033458592 /nfs/dbraw/zinc/45/85/92/1033458592.db2.gz SQIWGDOSPULOJI-ZDUSSCGKSA-N 1 3 358.280 2.589 20 0 FFADHO CN1CCC[C@@H]1CC[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000932792909 1020902645 /nfs/dbraw/zinc/90/26/45/1020902645.db2.gz KNJUAHPQJOMMCL-MRXNPFEDSA-N 1 3 367.534 2.571 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749586818 1021010252 /nfs/dbraw/zinc/01/02/52/1021010252.db2.gz NYWMXUMVMKMHRO-WOJBJXKFSA-N 1 3 360.546 2.675 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2 ZINC001098875530 1021291534 /nfs/dbraw/zinc/29/15/34/1021291534.db2.gz RPUXDGQDYCURMQ-VWPQPMDRSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2 ZINC001098875530 1021291543 /nfs/dbraw/zinc/29/15/43/1021291543.db2.gz RPUXDGQDYCURMQ-VWPQPMDRSA-N 1 3 370.541 2.815 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN[C@@H](c1ccncc1)C1CC1)c1ccccc1 ZINC000934698135 1021357326 /nfs/dbraw/zinc/35/73/26/1021357326.db2.gz MGFSKPBKQNCRTL-TZIWHRDSSA-N 1 3 352.482 2.541 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001117442761 1021699250 /nfs/dbraw/zinc/69/92/50/1021699250.db2.gz AQKZVHCGXCZGTO-MISYRCLQSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001117442761 1021699254 /nfs/dbraw/zinc/69/92/54/1021699254.db2.gz AQKZVHCGXCZGTO-MISYRCLQSA-N 1 3 356.514 2.529 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001111097445 1021746347 /nfs/dbraw/zinc/74/63/47/1021746347.db2.gz YWWWYJCPZDPELU-NMLBUPMWSA-N 1 3 365.562 2.789 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001111097445 1021746368 /nfs/dbraw/zinc/74/63/68/1021746368.db2.gz YWWWYJCPZDPELU-NMLBUPMWSA-N 1 3 365.562 2.789 20 0 FFADHO O=C(N[C@]12CCC[C@H]1CN(C/C=C\c1ccccc1)C2)C12CC[NH+](CC1)C2 ZINC001099121324 1021859066 /nfs/dbraw/zinc/85/90/66/1021859066.db2.gz WESOVFOIFWIOKK-YNVBDTASSA-N 1 3 365.521 2.766 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF)[NH+]1CCCC1 ZINC001111467279 1021950037 /nfs/dbraw/zinc/95/00/37/1021950037.db2.gz DDOCJFBTBVCLIS-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)N1CCCC1 ZINC001111467279 1021950050 /nfs/dbraw/zinc/95/00/50/1021950050.db2.gz DDOCJFBTBVCLIS-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)N1CCCC1 ZINC001111467279 1021950068 /nfs/dbraw/zinc/95/00/68/1021950068.db2.gz DDOCJFBTBVCLIS-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cc4ccccc4o2)C3)C1 ZINC001099161114 1021965050 /nfs/dbraw/zinc/96/50/50/1021965050.db2.gz YJZVKATUGSNJQI-SPEDKVCISA-N 1 3 367.493 2.855 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cc4ccccc4o2)C3)C1 ZINC001099161114 1021965058 /nfs/dbraw/zinc/96/50/58/1021965058.db2.gz YJZVKATUGSNJQI-SPEDKVCISA-N 1 3 367.493 2.855 20 0 FFADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000145652575 1021983646 /nfs/dbraw/zinc/98/36/46/1021983646.db2.gz WGGOQMWIIXIFRZ-SFHVURJKSA-N 1 3 374.598 2.847 20 0 FFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1C(F)(F)F ZINC001119326801 1022688805 /nfs/dbraw/zinc/68/88/05/1022688805.db2.gz CYILGIMYIJSDQM-RYUDHWBXSA-N 1 3 351.319 2.546 20 0 FFADHO CCC(CC)(CNC(=O)c1[nH]nc2c1CNCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000188770148 1023136385 /nfs/dbraw/zinc/13/63/85/1023136385.db2.gz JSUGPEOZBSJHHH-HNNXBMFYSA-N 1 3 369.513 2.695 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3cnoc3C)CC2)CC[N@@H+]1C ZINC000948388519 1023249323 /nfs/dbraw/zinc/24/93/23/1023249323.db2.gz HZVONOXEPYUZLN-GBESFXJTSA-N 1 3 362.518 2.526 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3cnoc3C)CC2)CC[N@H+]1C ZINC000948388519 1023249329 /nfs/dbraw/zinc/24/93/29/1023249329.db2.gz HZVONOXEPYUZLN-GBESFXJTSA-N 1 3 362.518 2.526 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)C[C@H]2C1 ZINC001120372023 1023317144 /nfs/dbraw/zinc/31/71/44/1023317144.db2.gz XREACHXPZYSFNE-HNBVOPMISA-N 1 3 372.513 2.542 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363658 1033123341 /nfs/dbraw/zinc/12/33/41/1033123341.db2.gz YRZULRHWWHBPQK-RBUKOAKNSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001120673069 1023416142 /nfs/dbraw/zinc/41/61/42/1023416142.db2.gz QNDGQUGNIRKKGN-HXUWFJFHSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001120673069 1023416144 /nfs/dbraw/zinc/41/61/44/1023416144.db2.gz QNDGQUGNIRKKGN-HXUWFJFHSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](C(C)C)C3)cc2)CC1 ZINC000755998516 1023658294 /nfs/dbraw/zinc/65/82/94/1023658294.db2.gz XZCGKDAXKBVXCD-GOSISDBHSA-N 1 3 358.530 2.745 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](C(C)C)C3)cc2)CC1 ZINC000755998516 1023658300 /nfs/dbraw/zinc/65/83/00/1023658300.db2.gz XZCGKDAXKBVXCD-GOSISDBHSA-N 1 3 358.530 2.745 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)c(F)c3)C[C@@]2(C)C1 ZINC001101400118 1024637336 /nfs/dbraw/zinc/63/73/36/1024637336.db2.gz HMTDAUULIFRSAK-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)c(F)c3)C[C@@]2(C)C1 ZINC001101400118 1024637357 /nfs/dbraw/zinc/63/73/57/1024637357.db2.gz HMTDAUULIFRSAK-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCc3cccs3)[C@H]2C1 ZINC001223023751 1033247409 /nfs/dbraw/zinc/24/74/09/1033247409.db2.gz NUHLABSPNJUZCS-AEFFLSMTSA-N 1 3 363.571 2.944 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CCc3cccs3)[C@H]2C1 ZINC001223023751 1033247422 /nfs/dbraw/zinc/24/74/22/1033247422.db2.gz NUHLABSPNJUZCS-AEFFLSMTSA-N 1 3 363.571 2.944 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1 ZINC001102046299 1025351774 /nfs/dbraw/zinc/35/17/74/1025351774.db2.gz XCSDJEABQNGQFN-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1 ZINC001102046299 1025351785 /nfs/dbraw/zinc/35/17/85/1025351785.db2.gz XCSDJEABQNGQFN-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c(C)c1 ZINC001102048440 1025355068 /nfs/dbraw/zinc/35/50/68/1025355068.db2.gz BLMMSNRCFWTWRO-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c(C)c1 ZINC001102048440 1025355075 /nfs/dbraw/zinc/35/50/75/1025355075.db2.gz BLMMSNRCFWTWRO-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102048812 1025357519 /nfs/dbraw/zinc/35/75/19/1025357519.db2.gz POZIYILFAHYGGQ-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102048812 1025357536 /nfs/dbraw/zinc/35/75/36/1025357536.db2.gz POZIYILFAHYGGQ-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C)N(C)C ZINC001102088129 1025412079 /nfs/dbraw/zinc/41/20/79/1025412079.db2.gz NROSKPSILNZTMQ-DJIMGWMZSA-N 1 3 359.505 2.836 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C)N(C)C ZINC001102088129 1025412083 /nfs/dbraw/zinc/41/20/83/1025412083.db2.gz NROSKPSILNZTMQ-DJIMGWMZSA-N 1 3 359.505 2.836 20 0 FFADHO N[C@H](C(=O)Nc1cn(Cc2ccccc2)c2ccccc12)C1CC[NH2+]CC1 ZINC001218692909 1033284152 /nfs/dbraw/zinc/28/41/52/1033284152.db2.gz CJXYOZSRMCWEGC-NRFANRHFSA-N 1 3 362.477 2.955 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001102184875 1025547862 /nfs/dbraw/zinc/54/78/62/1025547862.db2.gz WTQAWIHSYNYPRY-JSMQFAGNSA-N 1 3 355.954 2.935 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286953 1025696833 /nfs/dbraw/zinc/69/68/33/1025696833.db2.gz GDAHLYQPQMTQKZ-ZIAGYGMSSA-N 1 3 369.962 2.927 20 0 FFADHO CC(C)CC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000638115855 1025710802 /nfs/dbraw/zinc/71/08/02/1025710802.db2.gz JXTARHPVIOSRJI-PKOBYXMFSA-N 1 3 361.530 2.766 20 0 FFADHO C[C@@H](c1nc2ccccc2o1)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319083 1025739538 /nfs/dbraw/zinc/73/95/38/1025739538.db2.gz YDIZPIWUHRRELM-OWCLPIDISA-N 1 3 358.486 2.525 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c1 ZINC001102366460 1025817435 /nfs/dbraw/zinc/81/74/35/1025817435.db2.gz GAEUPEHNIXNBTA-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c1 ZINC001102366460 1025817454 /nfs/dbraw/zinc/81/74/54/1025817454.db2.gz GAEUPEHNIXNBTA-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2C)C1 ZINC001102370301 1025834301 /nfs/dbraw/zinc/83/43/01/1025834301.db2.gz WJKYSEYWLXQXFM-SQGPQFPESA-N 1 3 368.525 2.694 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2C)C1 ZINC001102370301 1025834326 /nfs/dbraw/zinc/83/43/26/1025834326.db2.gz WJKYSEYWLXQXFM-SQGPQFPESA-N 1 3 368.525 2.694 20 0 FFADHO Cc1nccn1-c1ccc(CNC2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000638418509 1025835579 /nfs/dbraw/zinc/83/55/79/1025835579.db2.gz ABNPKWBZHZTBFC-UHFFFAOYSA-N 1 3 360.477 2.645 20 0 FFADHO Cc1nccn1-c1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1F ZINC000638418509 1025835597 /nfs/dbraw/zinc/83/55/97/1025835597.db2.gz ABNPKWBZHZTBFC-UHFFFAOYSA-N 1 3 360.477 2.645 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639057843 1026149921 /nfs/dbraw/zinc/14/99/21/1026149921.db2.gz VUYGUJWPTGCGOE-NWSQWKLXSA-N 1 3 370.585 2.970 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)c1 ZINC001102531905 1026244814 /nfs/dbraw/zinc/24/48/14/1026244814.db2.gz LBQUYTRWRZLRQM-DNVCBOLYSA-N 1 3 354.498 2.707 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)c1 ZINC001102531905 1026244826 /nfs/dbraw/zinc/24/48/26/1026244826.db2.gz LBQUYTRWRZLRQM-DNVCBOLYSA-N 1 3 354.498 2.707 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4nccnc4c3)CC2)CC1 ZINC000639277393 1026265175 /nfs/dbraw/zinc/26/51/75/1026265175.db2.gz VUUVLIDJRNJGQG-UHFFFAOYSA-N 1 3 353.514 2.622 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4nccnc4c3)CC2)CC1 ZINC000639277393 1026265191 /nfs/dbraw/zinc/26/51/91/1026265191.db2.gz VUUVLIDJRNJGQG-UHFFFAOYSA-N 1 3 353.514 2.622 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@]12CCCO2 ZINC000639311863 1026274872 /nfs/dbraw/zinc/27/48/72/1026274872.db2.gz QLXKWICXCAIJBB-PWRODBHTSA-N 1 3 359.514 2.610 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102601153 1026401840 /nfs/dbraw/zinc/40/18/40/1026401840.db2.gz NXWLWSQMAHHAIB-QINHECLXSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102601153 1026401844 /nfs/dbraw/zinc/40/18/44/1026401844.db2.gz NXWLWSQMAHHAIB-QINHECLXSA-N 1 3 361.505 2.837 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2c(C)nsc2C)C[C@H]1C)N(C)C ZINC001103140194 1026996505 /nfs/dbraw/zinc/99/65/05/1026996505.db2.gz RJELNURILAZDIM-MZMPZRCHSA-N 1 3 366.575 2.674 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2c(C)nsc2C)C[C@H]1C)N(C)C ZINC001103140194 1026996508 /nfs/dbraw/zinc/99/65/08/1026996508.db2.gz RJELNURILAZDIM-MZMPZRCHSA-N 1 3 366.575 2.674 20 0 FFADHO N[C@@H](CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)c1cccc(C(F)(F)F)c1 ZINC001158578927 1027066448 /nfs/dbraw/zinc/06/64/48/1027066448.db2.gz NCLLNGUPAMUYIW-SNPRPXQTSA-N 1 3 373.394 2.631 20 0 FFADHO CCc1c(Cl)nnc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c1CC ZINC001158580688 1027066729 /nfs/dbraw/zinc/06/67/29/1027066729.db2.gz JMCFVGGVKRCPCL-UHFFFAOYSA-N 1 3 365.953 2.907 20 0 FFADHO CSc1cnc(Cl)nc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158581802 1027066771 /nfs/dbraw/zinc/06/67/71/1027066771.db2.gz WINJZFGXYJXUBZ-UHFFFAOYSA-N 1 3 355.939 2.505 20 0 FFADHO CN1CCN(c2ccc(Nc3ccc(N4CC[NH2+]CC4)c(F)c3)cc2)CC1 ZINC001159536103 1027425557 /nfs/dbraw/zinc/42/55/57/1027425557.db2.gz URPMVKHBQDWITE-UHFFFAOYSA-N 1 3 369.488 2.731 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001103435116 1027477968 /nfs/dbraw/zinc/47/79/68/1027477968.db2.gz QOSWVYJCMWECGE-QKNQBKEWSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001103435116 1027477980 /nfs/dbraw/zinc/47/79/80/1027477980.db2.gz QOSWVYJCMWECGE-QKNQBKEWSA-N 1 3 357.542 2.911 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCc3ccn(Cc4ccccc4)n3)n2)CC1 ZINC001160385286 1027691224 /nfs/dbraw/zinc/69/12/24/1027691224.db2.gz XVZAVXPOOUSZIV-UHFFFAOYSA-N 1 3 362.481 2.866 20 0 FFADHO O=C([C@@H]1C[C@@H](c2ccccc2)CCN1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460941 1027716408 /nfs/dbraw/zinc/71/64/08/1027716408.db2.gz HQBDTCRQWUBAQG-ACRUOGEOSA-N 1 3 355.526 2.999 20 0 FFADHO CC[NH+]1CCC(N(C)C(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001160538105 1027743218 /nfs/dbraw/zinc/74/32/18/1027743218.db2.gz UQABROAWMKVJAU-IBGZPJMESA-N 1 3 361.530 2.676 20 0 FFADHO C[C@@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160682615 1027802294 /nfs/dbraw/zinc/80/22/94/1027802294.db2.gz GYBXWQYEBCWDFL-GHTZIAJQSA-N 1 3 351.494 2.885 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160955857 1027942514 /nfs/dbraw/zinc/94/25/14/1027942514.db2.gz IQNLUPALBWXNSF-VQTJNVASSA-N 1 3 373.541 2.898 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)C=C2CC[NH2+]CC2)cc1 ZINC001160957458 1027946022 /nfs/dbraw/zinc/94/60/22/1027946022.db2.gz RUSJFTXEOAIFFP-HXUWFJFHSA-N 1 3 371.525 2.818 20 0 FFADHO COc1ccc([C@H](C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC001161447238 1028180518 /nfs/dbraw/zinc/18/05/18/1028180518.db2.gz WILJNFNRCOWTGQ-UYAOXDASSA-N 1 3 361.530 2.577 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001161526078 1028216313 /nfs/dbraw/zinc/21/63/13/1028216313.db2.gz CCYPEMLHDSPXDJ-FPOVZHCZSA-N 1 3 361.505 2.691 20 0 FFADHO O=C(C[C@@H]1Cc2ccccc2CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161595351 1028246762 /nfs/dbraw/zinc/24/67/62/1028246762.db2.gz PCECTINFLBOYDH-FQEVSTJZSA-N 1 3 361.489 2.712 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNCCC(=O)Nc1ccccc1F ZINC000644532278 1028527908 /nfs/dbraw/zinc/52/79/08/1028527908.db2.gz CBTWZRQQGFTOIN-UHFFFAOYSA-N 1 3 359.445 2.885 20 0 FFADHO Cc1cc(NC(=O)CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)no1 ZINC000644560089 1028551417 /nfs/dbraw/zinc/55/14/17/1028551417.db2.gz UEWIQNCCLRSZAQ-YQQQUEKLSA-N 1 3 368.481 3.097 20 0 FFADHO Cc1cc(NC(=O)CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)no1 ZINC000644560089 1028551427 /nfs/dbraw/zinc/55/14/27/1028551427.db2.gz UEWIQNCCLRSZAQ-YQQQUEKLSA-N 1 3 368.481 3.097 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001162480313 1028551893 /nfs/dbraw/zinc/55/18/93/1028551893.db2.gz HTCXOHAWQLHMSB-NJYVYQBISA-N 1 3 355.526 2.984 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001162480313 1028551903 /nfs/dbraw/zinc/55/19/03/1028551903.db2.gz HTCXOHAWQLHMSB-NJYVYQBISA-N 1 3 355.526 2.984 20 0 FFADHO c1cc2c(s1)[C@@H](Nc1nc(C3CC[NH2+]CC3)cc3nc[nH]c31)CNC2 ZINC001163219580 1028845083 /nfs/dbraw/zinc/84/50/83/1028845083.db2.gz BIDXDPDIRITZCK-HNNXBMFYSA-N 1 3 354.483 2.743 20 0 FFADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ccc(CN(C)C3CC3)cn2)C1 ZINC001165105377 1029392997 /nfs/dbraw/zinc/39/29/97/1029392997.db2.gz HCAFQEQFVKKHSF-HNNXBMFYSA-N 1 3 371.554 2.864 20 0 FFADHO COc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1F ZINC000782075933 1029558809 /nfs/dbraw/zinc/55/88/09/1029558809.db2.gz VSCPHRNILXOFAF-UHFFFAOYSA-N 1 3 364.465 2.514 20 0 FFADHO C[C@@H](C(=O)N1CC(N(C)Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC001157527421 1029608590 /nfs/dbraw/zinc/60/85/90/1029608590.db2.gz GOHDGTKMXTZMNK-SFHVURJKSA-N 1 3 363.505 2.776 20 0 FFADHO C[C@@H](C(=O)N1CC([N@H+](C)Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC001157527421 1029608593 /nfs/dbraw/zinc/60/85/93/1029608593.db2.gz GOHDGTKMXTZMNK-SFHVURJKSA-N 1 3 363.505 2.776 20 0 FFADHO C[C@@H](C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC001157527421 1029608599 /nfs/dbraw/zinc/60/85/99/1029608599.db2.gz GOHDGTKMXTZMNK-SFHVURJKSA-N 1 3 363.505 2.776 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(Cc2cccc(F)c2)C3)CC1 ZINC001111855654 1029625776 /nfs/dbraw/zinc/62/57/76/1029625776.db2.gz GTLHFPGIKATOTJ-UWJYYQICSA-N 1 3 359.489 2.638 20 0 FFADHO COc1ccc2ccc(N3CCN(CC4CC[NH+](C)CC4)CC3)nc2c1 ZINC001157837837 1029673176 /nfs/dbraw/zinc/67/31/76/1029673176.db2.gz ITRWTCMVESJQAG-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO O=C(c1csc([C@H]2CCCN2)n1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158037393 1029714084 /nfs/dbraw/zinc/71/40/84/1029714084.db2.gz CVBIXCRIYKPXQB-DNVCBOLYSA-N 1 3 362.543 2.954 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](CO)C2CCOCC2)ccc1OC ZINC000782778754 1029818080 /nfs/dbraw/zinc/81/80/80/1029818080.db2.gz UKFITEUQNYJEKT-OXJNMPFZSA-N 1 3 364.530 2.975 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C(F)(F)F ZINC001112182220 1030166529 /nfs/dbraw/zinc/16/65/29/1030166529.db2.gz VMWZSTKWVYIHJC-HUUCEWRRSA-N 1 3 351.457 2.887 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112210916 1030251630 /nfs/dbraw/zinc/25/16/30/1030251630.db2.gz MXDVVPPAVUTNFX-HZPDHXFCSA-N 1 3 361.452 2.808 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841925856 1030546701 /nfs/dbraw/zinc/54/67/01/1030546701.db2.gz WOMJNDGQTANHSG-UHFFFAOYSA-N 1 3 368.525 2.504 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CNC/C(Cl)=C\Cl)C2)CC[N@@H+]1C ZINC001112359758 1030653424 /nfs/dbraw/zinc/65/34/24/1030653424.db2.gz JNKAMAZOZAKUOI-BQCIDICMSA-N 1 3 374.356 2.864 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CNC/C(Cl)=C\Cl)C2)CC[N@H+]1C ZINC001112359758 1030653433 /nfs/dbraw/zinc/65/34/33/1030653433.db2.gz JNKAMAZOZAKUOI-BQCIDICMSA-N 1 3 374.356 2.864 20 0 FFADHO CCOC(=O)C1CCN(C2CC[NH+](Cc3cccc4[nH]cnc43)CC2)CC1 ZINC001142676349 1030707893 /nfs/dbraw/zinc/70/78/93/1030707893.db2.gz FRRDCXYGAJBOEN-UHFFFAOYSA-N 1 3 370.497 2.802 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cncs2)C1 ZINC001112436975 1030807929 /nfs/dbraw/zinc/80/79/29/1030807929.db2.gz QKZTZQHFFUAQFS-KXBFYZLASA-N 1 3 364.559 2.592 20 0 FFADHO Cc1nn(C)c(C)c1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001204047617 1031057143 /nfs/dbraw/zinc/05/71/43/1031057143.db2.gz GSUTZQWRYXOGPT-RYGJVYDSSA-N 1 3 356.514 2.713 20 0 FFADHO Cc1nn(C)c(C)c1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001204047617 1031057162 /nfs/dbraw/zinc/05/71/62/1031057162.db2.gz GSUTZQWRYXOGPT-RYGJVYDSSA-N 1 3 356.514 2.713 20 0 FFADHO Cc1cc(C)cc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000843085266 1031178443 /nfs/dbraw/zinc/17/84/43/1031178443.db2.gz WFGOBXKMGCHCOI-RJGXRXQPSA-N 1 3 368.521 2.809 20 0 FFADHO Cc1cc(C)cc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000843085266 1031178446 /nfs/dbraw/zinc/17/84/46/1031178446.db2.gz WFGOBXKMGCHCOI-RJGXRXQPSA-N 1 3 368.521 2.809 20 0 FFADHO Cc1c(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cnn1C ZINC001204570425 1031366248 /nfs/dbraw/zinc/36/62/48/1031366248.db2.gz AIENIBLLORXOKF-OAQYLSRUSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1c(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnn1C ZINC001204570425 1031366260 /nfs/dbraw/zinc/36/62/60/1031366260.db2.gz AIENIBLLORXOKF-OAQYLSRUSA-N 1 3 368.525 2.984 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001150154363 1031673998 /nfs/dbraw/zinc/67/39/98/1031673998.db2.gz LARRHZKVTLBKQH-QUCCMNQESA-N 1 3 355.526 2.889 20 0 FFADHO COc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Br)cc1O ZINC001205628867 1031886079 /nfs/dbraw/zinc/88/60/79/1031886079.db2.gz XKBMXMIRAHPJTD-NWDGAFQWSA-N 1 3 357.292 2.970 20 0 FFADHO O=C(CC1(c2ccccc2F)CC[NH2+]CC1)Nc1cc([C@@H]2CCCN2)no1 ZINC001218713192 1033298160 /nfs/dbraw/zinc/29/81/60/1033298160.db2.gz RGTAZWIWJJHYOP-INIZCTEOSA-N 1 3 372.444 2.888 20 0 FFADHO Cc1ccccc1Oc1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218851842 1033377098 /nfs/dbraw/zinc/37/70/98/1033377098.db2.gz VJVAVBPOSCDICE-IIBYNOLFSA-N 1 3 351.450 2.925 20 0 FFADHO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029519 1033477661 /nfs/dbraw/zinc/47/76/61/1033477661.db2.gz BBHGWVLTSQZBDT-KRWDZBQOSA-N 1 3 359.857 2.591 20 0 FFADHO [NH3+]C1CCN(c2cccc(F)c2NC(=O)c2csc3c2CCNC3)CC1 ZINC001219296099 1033589639 /nfs/dbraw/zinc/58/96/39/1033589639.db2.gz OWRNOVPMATWZSJ-UHFFFAOYSA-N 1 3 374.485 2.713 20 0 FFADHO [NH3+]C1CCN(c2cccc(F)c2NC(=O)c2ccc3c(c2)CNC3)CC1 ZINC001219296218 1033590234 /nfs/dbraw/zinc/59/02/34/1033590234.db2.gz VJPHPLXOOAIASN-UHFFFAOYSA-N 1 3 354.429 2.609 20 0 FFADHO Cc1ncsc1CN1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955125 1033658601 /nfs/dbraw/zinc/65/86/01/1033658601.db2.gz HRLPKCOVCRWNHN-SJORKVTESA-N 1 3 364.559 2.606 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NCc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001219705844 1033773753 /nfs/dbraw/zinc/77/37/53/1033773753.db2.gz QFQUZGAWXJNAHN-OAQYLSRUSA-N 1 3 365.521 2.816 20 0 FFADHO Nc1ncc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001138168157 1033895904 /nfs/dbraw/zinc/89/59/04/1033895904.db2.gz YSICLMTWQLBTDE-UHFFFAOYSA-N 1 3 351.498 2.937 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)c1 ZINC001219943463 1033900968 /nfs/dbraw/zinc/90/09/68/1033900968.db2.gz JPZHUELALITHBX-QPCUBCJCSA-N 1 3 355.526 2.908 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 ZINC001220548248 1034249381 /nfs/dbraw/zinc/24/93/81/1034249381.db2.gz CJJPHYFMVIIOOS-RDJZCZTQSA-N 1 3 357.502 2.750 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001220618628 1034294417 /nfs/dbraw/zinc/29/44/17/1034294417.db2.gz ABAAXTCLYDPALI-SFTDATJTSA-N 1 3 372.557 2.997 20 0 FFADHO C[N@@H+]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCC1(C)C ZINC001220644927 1034313828 /nfs/dbraw/zinc/31/38/28/1034313828.db2.gz ISKFFJZLBOWJAJ-IBGZPJMESA-N 1 3 358.530 2.949 20 0 FFADHO C[N@H+]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCC1(C)C ZINC001220644927 1034313839 /nfs/dbraw/zinc/31/38/39/1034313839.db2.gz ISKFFJZLBOWJAJ-IBGZPJMESA-N 1 3 358.530 2.949 20 0 FFADHO O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220722273 1034356219 /nfs/dbraw/zinc/35/62/19/1034356219.db2.gz WGBUXENPPMLLSR-YHDCXSKOSA-N 1 3 353.510 2.559 20 0 FFADHO O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220722273 1034356235 /nfs/dbraw/zinc/35/62/35/1034356235.db2.gz WGBUXENPPMLLSR-YHDCXSKOSA-N 1 3 353.510 2.559 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220746656 1034372214 /nfs/dbraw/zinc/37/22/14/1034372214.db2.gz ILHZJONZGJUEFX-MOPGFXCFSA-N 1 3 355.567 2.630 20 0 FFADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001221124009 1034562825 /nfs/dbraw/zinc/56/28/25/1034562825.db2.gz SEVHOSSSABPBGT-WOJBJXKFSA-N 1 3 364.493 2.660 20 0 FFADHO O=C(NCC1(CC2CCC2)CC[NH2+]CC1)c1csc([C@@H]2CCCN2)n1 ZINC001221130373 1034570471 /nfs/dbraw/zinc/57/04/71/1034570471.db2.gz PKVZZRGRROIJKK-HNNXBMFYSA-N 1 3 362.543 2.857 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC001226564783 1034738971 /nfs/dbraw/zinc/73/89/71/1034738971.db2.gz OWEZWQAIJBAGHF-BZUAXINKSA-N 1 3 370.538 2.648 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)COC3)CCC1 ZINC001226782833 1034839270 /nfs/dbraw/zinc/83/92/70/1034839270.db2.gz SRBKNKUNEBVTQF-WOJBJXKFSA-N 1 3 371.525 2.718 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001226800309 1034846650 /nfs/dbraw/zinc/84/66/50/1034846650.db2.gz KBPPEWSHZFYEIL-AQNXPRMDSA-N 1 3 359.514 2.552 20 0 FFADHO CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226824929 1034853809 /nfs/dbraw/zinc/85/38/09/1034853809.db2.gz SDQNSZPMSFARPL-RTBURBONSA-N 1 3 362.518 2.547 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001226890973 1034874979 /nfs/dbraw/zinc/87/49/79/1034874979.db2.gz QQDJAXFBSDCFTN-DJIMGWMZSA-N 1 3 350.532 2.535 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001226890973 1034874989 /nfs/dbraw/zinc/87/49/89/1034874989.db2.gz QQDJAXFBSDCFTN-DJIMGWMZSA-N 1 3 350.532 2.535 20 0 FFADHO CCc1onc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226922133 1034885169 /nfs/dbraw/zinc/88/51/69/1034885169.db2.gz MYWSSUUMGIPBMO-LMMKCTJWSA-N 1 3 364.534 2.649 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCc3cccs3)C[C@H]21 ZINC001221587922 1034901030 /nfs/dbraw/zinc/90/10/30/1034901030.db2.gz NJXMSPGPHCIOEO-BPQIPLTHSA-N 1 3 367.534 2.503 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCc3cccs3)C[C@H]21 ZINC001221587922 1034901037 /nfs/dbraw/zinc/90/10/37/1034901037.db2.gz NJXMSPGPHCIOEO-BPQIPLTHSA-N 1 3 367.534 2.503 20 0 FFADHO C[C@H]1OCC[C@H]1COc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160105 1034956690 /nfs/dbraw/zinc/95/66/90/1034956690.db2.gz ODRYBBCQCGWEOY-AEFFLSMTSA-N 1 3 363.546 2.675 20 0 FFADHO C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1cnccn1 ZINC001227164949 1034958446 /nfs/dbraw/zinc/95/84/46/1034958446.db2.gz MJWNMFSSCQRVLZ-MRXNPFEDSA-N 1 3 371.529 2.801 20 0 FFADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714314 1035005946 /nfs/dbraw/zinc/00/59/46/1035005946.db2.gz YNKUCEBUFFHEGU-UYAOXDASSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714314 1035005954 /nfs/dbraw/zinc/00/59/54/1035005954.db2.gz YNKUCEBUFFHEGU-UYAOXDASSA-N 1 3 365.562 2.599 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c(Cl)ccnc3Cl)CC2)CC1 ZINC001139480869 1035130456 /nfs/dbraw/zinc/13/04/56/1035130456.db2.gz AWTVKYUEJDUDQB-UHFFFAOYSA-N 1 3 357.329 2.848 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)C(C)C ZINC001221878067 1035130704 /nfs/dbraw/zinc/13/07/04/1035130704.db2.gz ZPAQKFZEKRAVJD-KZNAEPCWSA-N 1 3 371.516 2.931 20 0 FFADHO COCCn1cc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001139779569 1035230530 /nfs/dbraw/zinc/23/05/30/1035230530.db2.gz SJQAHUDCGFLJSS-HXUWFJFHSA-N 1 3 372.513 2.999 20 0 FFADHO COCCn1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001139779569 1035230533 /nfs/dbraw/zinc/23/05/33/1035230533.db2.gz SJQAHUDCGFLJSS-HXUWFJFHSA-N 1 3 372.513 2.999 20 0 FFADHO C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1cc(F)ccc1F ZINC001228355731 1036068109 /nfs/dbraw/zinc/06/81/09/1036068109.db2.gz SLDPYXNIZLLKOP-MORSLUCNSA-N 1 3 353.457 2.995 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001228444965 1036117308 /nfs/dbraw/zinc/11/73/08/1036117308.db2.gz JXCKMGNJDUYCCI-VAMGGRTRSA-N 1 3 361.530 2.798 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC001228933063 1036414843 /nfs/dbraw/zinc/41/48/43/1036414843.db2.gz ZPIVPOINGGHBRW-AQNXPRMDSA-N 1 3 365.562 2.693 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)onc1CC ZINC001229852038 1036934392 /nfs/dbraw/zinc/93/43/92/1036934392.db2.gz CDGZCGYJCPFDMH-RTBURBONSA-N 1 3 364.534 2.794 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)onc1CC ZINC001229852038 1036934395 /nfs/dbraw/zinc/93/43/95/1036934395.db2.gz CDGZCGYJCPFDMH-RTBURBONSA-N 1 3 364.534 2.794 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C)c1 ZINC001229939638 1036990250 /nfs/dbraw/zinc/99/02/50/1036990250.db2.gz HOOBKRBZVWCKHV-RTBURBONSA-N 1 3 370.497 2.665 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001230266639 1037186063 /nfs/dbraw/zinc/18/60/63/1037186063.db2.gz ROECFMHBHMVMIW-RTBURBONSA-N 1 3 362.493 2.614 20 0 FFADHO Cc1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)c1 ZINC001230274606 1037187441 /nfs/dbraw/zinc/18/74/41/1037187441.db2.gz BWOKOYZOOKZFOP-WOJBJXKFSA-N 1 3 361.530 2.731 20 0 FFADHO COCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cc1 ZINC001230284622 1037196218 /nfs/dbraw/zinc/19/62/18/1037196218.db2.gz OBIFBQUJLBVURG-WOJBJXKFSA-N 1 3 361.530 2.690 20 0 FFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001207280349 1037308158 /nfs/dbraw/zinc/30/81/58/1037308158.db2.gz VVJIYNPVXVMFJT-UHFFFAOYSA-N 1 3 369.550 2.676 20 0 FFADHO Cc1ccnc(N2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001207294956 1037325063 /nfs/dbraw/zinc/32/50/63/1037325063.db2.gz XEOOTDIDRLRCFW-UHFFFAOYSA-N 1 3 365.525 2.819 20 0 FFADHO COCCOc1cccc(N2CCN(CCC3CC[NH+](C)CC3)CC2)c1 ZINC001207486763 1037484743 /nfs/dbraw/zinc/48/47/43/1037484743.db2.gz CLXMXSQKADJMMZ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO Cc1ccc(I)cc1CN1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342985 1037491382 /nfs/dbraw/zinc/49/13/82/1037491382.db2.gz YXVRNLURIHYEOB-GFCCVEGCSA-N 1 3 356.251 2.641 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3c(F)cc(C)cc3OC)C[C@@H]1CC[NH2+]CC2 ZINC001235348179 1037493606 /nfs/dbraw/zinc/49/36/06/1037493606.db2.gz CDTIKTAXUJRATM-YWZLYKJASA-N 1 3 364.461 2.507 20 0 FFADHO Cc1cc(Br)cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1 ZINC001235366786 1037507589 /nfs/dbraw/zinc/50/75/89/1037507589.db2.gz FRTPUEYAOPHDBI-USXIJHARSA-N 1 3 351.288 2.710 20 0 FFADHO Cc1cc(F)cc(Br)c1CN1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235379711 1037516193 /nfs/dbraw/zinc/51/61/93/1037516193.db2.gz QGVUFRRRJPASIN-SUYBPPKGSA-N 1 3 369.278 2.849 20 0 FFADHO CC(C)Oc1ncnc2c1CCN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001235489831 1037584238 /nfs/dbraw/zinc/58/42/38/1037584238.db2.gz KDGWKMSRKZHKJZ-UHFFFAOYSA-N 1 3 352.482 2.510 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001207652882 1037631797 /nfs/dbraw/zinc/63/17/97/1037631797.db2.gz RCEKHXUKWCSJKL-RLLQIKCJSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001207652882 1037631804 /nfs/dbraw/zinc/63/18/04/1037631804.db2.gz RCEKHXUKWCSJKL-RLLQIKCJSA-N 1 3 367.578 2.606 20 0 FFADHO c1c(CN2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001235609463 1037642630 /nfs/dbraw/zinc/64/26/30/1037642630.db2.gz LLZBMTIQYQTIIR-PKOBYXMFSA-N 1 3 369.534 2.731 20 0 FFADHO c1ccc(COC[C@H]2CCN2Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235713501 1037704672 /nfs/dbraw/zinc/70/46/72/1037704672.db2.gz CCWADSYBLZVSAS-JOCHJYFZSA-N 1 3 351.494 2.887 20 0 FFADHO CCCN(CCCC[NH3+])[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001235718760 1037709013 /nfs/dbraw/zinc/70/90/13/1037709013.db2.gz NFXXPCNPCQKZOL-ZDUSSCGKSA-N 1 3 355.504 2.621 20 0 FFADHO Brc1cccc([C@H]2CN(CCC3CC[NH2+]CC3)CCN2)c1 ZINC001235796219 1037749718 /nfs/dbraw/zinc/74/97/18/1037749718.db2.gz QTBVZGGLSMBSAZ-QGZVFWFLSA-N 1 3 352.320 2.785 20 0 FFADHO [NH3+][C@H](Cc1ccccc1)CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235795063 1037750947 /nfs/dbraw/zinc/75/09/47/1037750947.db2.gz NBTANJZPKOAHGQ-MOPGFXCFSA-N 1 3 374.326 2.965 20 0 FFADHO C[C@@H]1CN(CCCOc2ccccc2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207859830 1037794235 /nfs/dbraw/zinc/79/42/35/1037794235.db2.gz YEOFRXZOOAFMDU-UYAOXDASSA-N 1 3 371.525 2.520 20 0 FFADHO C[C@H](c1ccccc1)N1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235864833 1037801930 /nfs/dbraw/zinc/80/19/30/1037801930.db2.gz WHSAOFOEJUFNEK-HXUWFJFHSA-N 1 3 364.537 2.975 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cc(Cl)ccc3Cl)C[C@H]1C2 ZINC001236021730 1037893765 /nfs/dbraw/zinc/89/37/65/1037893765.db2.gz HDSGZGXPDFPKDU-PXMRGAAZSA-N 1 3 369.292 2.824 20 0 FFADHO Cc1cc(CN2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc(OC(F)(F)F)c1 ZINC001236078229 1037921442 /nfs/dbraw/zinc/92/14/42/1037921442.db2.gz GSJUSCZDIVUVGI-MRXNPFEDSA-N 1 3 357.420 2.749 20 0 FFADHO Brc1ccccc1CCCN1CCC(N2CC[NH2+]CC2)CC1 ZINC001236130486 1037944407 /nfs/dbraw/zinc/94/44/07/1037944407.db2.gz UZARMXXPYAPILM-UHFFFAOYSA-N 1 3 366.347 2.751 20 0 FFADHO Fc1cc(-c2cncc(N3CC[NH2+]CC3)n2)ccc1CN1CCCCC1 ZINC001236232512 1037996654 /nfs/dbraw/zinc/99/66/54/1037996654.db2.gz NRTBNPMYQLOKQY-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001208107797 1038042690 /nfs/dbraw/zinc/04/26/90/1038042690.db2.gz ULSIDPBJUIMKJA-GBESFXJTSA-N 1 3 359.514 2.672 20 0 FFADHO Cc1ccc(Cl)c(CN2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)c1 ZINC001277590919 1038042857 /nfs/dbraw/zinc/04/28/57/1038042857.db2.gz FRRLCMICEGZZFV-QGZVFWFLSA-N 1 3 363.933 2.928 20 0 FFADHO COCCOc1ccccc1N1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114847 1038048423 /nfs/dbraw/zinc/04/84/23/1038048423.db2.gz BWCNTZFPRKPAAB-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO Clc1ccccc1CN(Cc1ccc2n1CCNC2)C1CC[NH2+]CC1 ZINC001236449200 1038094621 /nfs/dbraw/zinc/09/46/21/1038094621.db2.gz FFNXJZBBAXYTLU-UHFFFAOYSA-N 1 3 358.917 2.999 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001255941692 1038266163 /nfs/dbraw/zinc/26/61/63/1038266163.db2.gz XEHNSZJYXMDXRO-DLBZAZTESA-N 1 3 369.550 2.722 20 0 FFADHO Cc1c(Cl)nccc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001278907368 1038343369 /nfs/dbraw/zinc/34/33/69/1038343369.db2.gz ZQNLNACOCKUYFH-UHFFFAOYSA-N 1 3 359.905 2.838 20 0 FFADHO CC[NH+]1CCC(CN2CCN(Cc3cc(OC)ccc3OC)CC2)CC1 ZINC001208600700 1038439029 /nfs/dbraw/zinc/43/90/29/1038439029.db2.gz UJBRQKQENLHYRL-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO Cc1cccc(CN2C(=O)CCC23CCN(C[C@@H]2CCC[N@@H+](C)C2)CC3)n1 ZINC001208611087 1038445192 /nfs/dbraw/zinc/44/51/92/1038445192.db2.gz UMNLVNFRPDUTTP-LJQANCHMSA-N 1 3 370.541 2.689 20 0 FFADHO Cc1cccc(CN2C(=O)CCC23CCN(C[C@@H]2CCC[N@H+](C)C2)CC3)n1 ZINC001208611087 1038445195 /nfs/dbraw/zinc/44/51/95/1038445195.db2.gz UMNLVNFRPDUTTP-LJQANCHMSA-N 1 3 370.541 2.689 20 0 FFADHO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc4cccccc3-4)CC[C@@H]21 ZINC001237183416 1038469582 /nfs/dbraw/zinc/46/95/82/1038469582.db2.gz OFZVWJKQEGLFBF-URVUXULASA-N 1 3 361.493 2.978 20 0 FFADHO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc4cccccc3-4)CC[C@@H]21 ZINC001237183416 1038469586 /nfs/dbraw/zinc/46/95/86/1038469586.db2.gz OFZVWJKQEGLFBF-URVUXULASA-N 1 3 361.493 2.978 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@](O)(CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256562289 1038562329 /nfs/dbraw/zinc/56/23/29/1038562329.db2.gz QIRBGIJLQRHQJK-FQEVSTJZSA-N 1 3 369.550 2.601 20 0 FFADHO CC(C)(C)N1CCC([NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)CC1 ZINC001256570967 1038564844 /nfs/dbraw/zinc/56/48/44/1038564844.db2.gz UNVHWCMQMVEOHH-LJQANCHMSA-N 1 3 370.541 2.783 20 0 FFADHO [NH3+]CCc1nc(-c2ccccc2)nn1C1CCN(Cc2ccncc2)CC1 ZINC001256581996 1038568807 /nfs/dbraw/zinc/56/88/07/1038568807.db2.gz FSMIPCWVESQHCR-UHFFFAOYSA-N 1 3 362.481 2.678 20 0 FFADHO COCC[N@H+](C[C@@H]1CCCN(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208937364 1038593720 /nfs/dbraw/zinc/59/37/20/1038593720.db2.gz SHZWSRCGCGQSAL-OAQYLSRUSA-N 1 3 359.558 2.941 20 0 FFADHO COCC[N@@H+](C[C@@H]1CCCN(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208937364 1038593726 /nfs/dbraw/zinc/59/37/26/1038593726.db2.gz SHZWSRCGCGQSAL-OAQYLSRUSA-N 1 3 359.558 2.941 20 0 FFADHO O=C(NC1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC001208935490 1038594784 /nfs/dbraw/zinc/59/47/84/1038594784.db2.gz KLBVQGHEOKXFJW-LJQANCHMSA-N 1 3 355.526 2.889 20 0 FFADHO O=C(NC1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC001208935490 1038594786 /nfs/dbraw/zinc/59/47/86/1038594786.db2.gz KLBVQGHEOKXFJW-LJQANCHMSA-N 1 3 355.526 2.889 20 0 FFADHO OCC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC001256681527 1038600266 /nfs/dbraw/zinc/60/02/66/1038600266.db2.gz USZCEVNBXXVMDR-ACBHZAAOSA-N 1 3 352.906 2.997 20 0 FFADHO Cn1c(CCC[NH2+]C2CCC(N3CCOCC3)CC2)nc2ccccc21 ZINC001256683280 1038601636 /nfs/dbraw/zinc/60/16/36/1038601636.db2.gz VPSCBMWBCODYQK-UHFFFAOYSA-N 1 3 356.514 2.739 20 0 FFADHO CN(C)C(=O)[C@H]1CC12CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208950899 1038601849 /nfs/dbraw/zinc/60/18/49/1038601849.db2.gz FYKCJBKNUODLPJ-VQTJNVASSA-N 1 3 355.526 2.699 20 0 FFADHO CN(C)C(=O)[C@H]1CC12CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208950899 1038601852 /nfs/dbraw/zinc/60/18/52/1038601852.db2.gz FYKCJBKNUODLPJ-VQTJNVASSA-N 1 3 355.526 2.699 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686647 1038602522 /nfs/dbraw/zinc/60/25/22/1038602522.db2.gz SBJPOMPXBBAPIT-FOIPXRHGSA-N 1 3 367.534 2.665 20 0 FFADHO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208950189 1038602684 /nfs/dbraw/zinc/60/26/84/1038602684.db2.gz BBKJVHWRJLCBKA-VRKFHHGPSA-N 1 3 353.510 2.595 20 0 FFADHO O=C(N1CCCC1)C12CC(C1)C[N@H+]2C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208950189 1038602688 /nfs/dbraw/zinc/60/26/88/1038602688.db2.gz BBKJVHWRJLCBKA-VRKFHHGPSA-N 1 3 353.510 2.595 20 0 FFADHO CC1(N2CCOCC2)CC[NH+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208952790 1038603968 /nfs/dbraw/zinc/60/39/68/1038603968.db2.gz LUVUKBWQKVSPER-NRFANRHFSA-N 1 3 357.542 2.695 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H](CN2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)CC1 ZINC001209004966 1038626922 /nfs/dbraw/zinc/62/69/22/1038626922.db2.gz UXFPXBUEOXNTMA-QWFCFKBJSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H](CN2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)CC1 ZINC001209004966 1038626926 /nfs/dbraw/zinc/62/69/26/1038626926.db2.gz UXFPXBUEOXNTMA-QWFCFKBJSA-N 1 3 366.546 2.931 20 0 FFADHO CCOc1cccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)n1 ZINC001256862566 1038638590 /nfs/dbraw/zinc/63/85/90/1038638590.db2.gz OJUPIMPXZYYXHX-UHFFFAOYSA-N 1 3 367.497 2.666 20 0 FFADHO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C3CC[NH+](C(C)C)CC3)C2)O1 ZINC001257219989 1038748956 /nfs/dbraw/zinc/74/89/56/1038748956.db2.gz MGGZXPIBRQWNNT-PZJWPPBQSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251146609 1038966587 /nfs/dbraw/zinc/96/65/87/1038966587.db2.gz COMONDGIFHEFKV-SOLBZPMBSA-N 1 3 367.493 2.991 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251146609 1038966601 /nfs/dbraw/zinc/96/66/01/1038966601.db2.gz COMONDGIFHEFKV-SOLBZPMBSA-N 1 3 367.493 2.991 20 0 FFADHO C[C@H](c1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1)N1CC[NH2+]CC1 ZINC001245431472 1039012164 /nfs/dbraw/zinc/01/21/64/1039012164.db2.gz QRKFXXDPDSEEEX-GCJKJVERSA-N 1 3 355.526 2.921 20 0 FFADHO C[NH+](C)CCN1CCO[C@]2(CCCN(Cc3cc4ccccc4o3)C2)C1 ZINC001279065618 1039097384 /nfs/dbraw/zinc/09/73/84/1039097384.db2.gz XDKFPTVROHQQJV-OAQYLSRUSA-N 1 3 357.498 2.661 20 0 FFADHO CCOC(=O)CC1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001258025901 1039121692 /nfs/dbraw/zinc/12/16/92/1039121692.db2.gz CZJLGQOPZGDCFM-UHFFFAOYSA-N 1 3 366.546 2.979 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3cnccc3N)C2)C1 ZINC001209730595 1039164827 /nfs/dbraw/zinc/16/48/27/1039164827.db2.gz ZEHXLHHQSIFFIK-APWZRJJASA-N 1 3 364.465 2.665 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3cnccc3N)C2)C1 ZINC001209730595 1039164838 /nfs/dbraw/zinc/16/48/38/1039164838.db2.gz ZEHXLHHQSIFFIK-APWZRJJASA-N 1 3 364.465 2.665 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnccc3N)C[C@@H]21 ZINC001209729871 1039165950 /nfs/dbraw/zinc/16/59/50/1039165950.db2.gz DAMAFOPQYHLVJT-NBHGPNQESA-N 1 3 351.498 2.622 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnccc3N)C[C@@H]21 ZINC001209729871 1039165955 /nfs/dbraw/zinc/16/59/55/1039165955.db2.gz DAMAFOPQYHLVJT-NBHGPNQESA-N 1 3 351.498 2.622 20 0 FFADHO C[C@@H]1CC[C@@H](CNC[C@@H](O)COCc2c(Cl)cccc2Cl)C[NH2+]1 ZINC001245972983 1039170173 /nfs/dbraw/zinc/17/01/73/1039170173.db2.gz IZONDEAHQOCVRP-HZSPNIEDSA-N 1 3 361.313 2.849 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNCC[C@@H]2CCCC[NH2+]2)cc1 ZINC001246003452 1039184670 /nfs/dbraw/zinc/18/46/70/1039184670.db2.gz QVLHKRBMLPQRDL-RBUKOAKNSA-N 1 3 362.514 2.624 20 0 FFADHO CN(C)CCN1C(=O)C2(CC[NH+](CCCCF)CC2)[C@H]1c1ccccc1 ZINC001276668004 1039188643 /nfs/dbraw/zinc/18/86/43/1039188643.db2.gz PGXDBPBYNVGJTK-LJQANCHMSA-N 1 3 361.505 2.963 20 0 FFADHO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@@]23CCCO[C@@H]2CCNC3)cc1 ZINC001246141427 1039254574 /nfs/dbraw/zinc/25/45/74/1039254574.db2.gz CRDCZNHXFYBVAO-BSIFCXSSSA-N 1 3 360.498 2.543 20 0 FFADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246302056 1039304296 /nfs/dbraw/zinc/30/42/96/1039304296.db2.gz VOULJLFWBRGZHS-LVQVYYBASA-N 1 3 370.534 2.782 20 0 FFADHO Clc1ccc(N2CCC(N3CC[NH2+]C[C@]4(CCCCN4)C3)CC2)cc1 ZINC001246637039 1039424459 /nfs/dbraw/zinc/42/44/59/1039424459.db2.gz XAFVWGOZEHHWPZ-HXUWFJFHSA-N 1 3 362.949 2.726 20 0 FFADHO CNC(=O)N[C@H]1CC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738721 1039456121 /nfs/dbraw/zinc/45/61/21/1039456121.db2.gz CHDMKWYFGPNOBJ-UWVAXJGDSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@H]1CC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738721 1039456126 /nfs/dbraw/zinc/45/61/26/1039456126.db2.gz CHDMKWYFGPNOBJ-UWVAXJGDSA-N 1 3 370.541 2.843 20 0 FFADHO C[C@@H]1C[C@H](N2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756728 1039468001 /nfs/dbraw/zinc/46/80/01/1039468001.db2.gz NUNOOBCTXYADHM-DUXKGJEZSA-N 1 3 361.505 2.885 20 0 FFADHO Brc1cccc([C@H]2CN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2)c1 ZINC001246808675 1039488049 /nfs/dbraw/zinc/48/80/49/1039488049.db2.gz YCAISQHSZGFKHW-LTIDMASMSA-N 1 3 350.304 2.678 20 0 FFADHO CCC[NH+]1CCC(N[C@H]2CC[C@H]3[C@H]2OCCN3C(=O)OC(C)(C)C)CC1 ZINC001258768008 1039505357 /nfs/dbraw/zinc/50/53/57/1039505357.db2.gz STBHTLFPEQYLNX-BZSNNMDCSA-N 1 3 367.534 2.617 20 0 FFADHO CCCC[C@H](CC)COC[C@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001253031651 1039934105 /nfs/dbraw/zinc/93/41/05/1039934105.db2.gz RVNWLGGWHQUNST-XSDIEEQYSA-N 1 3 370.578 2.813 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNCC1(c2cccc(Cl)c2)CCOCC1 ZINC001253212164 1040049461 /nfs/dbraw/zinc/04/94/61/1040049461.db2.gz MVLRFHNZCWASIJ-GOSISDBHSA-N 1 3 354.922 2.681 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001211343623 1040089036 /nfs/dbraw/zinc/08/90/36/1040089036.db2.gz CPZROLAWZXBQJK-YLJYHZDGSA-N 1 3 359.514 2.508 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)cs1 ZINC001248802705 1040438969 /nfs/dbraw/zinc/43/89/69/1040438969.db2.gz PSYGVECCXGNJIQ-WOJBJXKFSA-N 1 3 363.571 2.818 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)cs1 ZINC001248802705 1040438977 /nfs/dbraw/zinc/43/89/77/1040438977.db2.gz PSYGVECCXGNJIQ-WOJBJXKFSA-N 1 3 363.571 2.818 20 0 FFADHO Cn1c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1=O ZINC001248810186 1040445993 /nfs/dbraw/zinc/44/59/93/1040445993.db2.gz BPOFUYQYQIMFTD-WOJBJXKFSA-N 1 3 351.494 2.729 20 0 FFADHO Cn1c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1=O ZINC001248810186 1040446002 /nfs/dbraw/zinc/44/60/02/1040446002.db2.gz BPOFUYQYQIMFTD-WOJBJXKFSA-N 1 3 351.494 2.729 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322800 1040450792 /nfs/dbraw/zinc/45/07/92/1040450792.db2.gz RNQMBGVWVTWFGV-IPMKNSEASA-N 1 3 353.551 2.504 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322800 1040450797 /nfs/dbraw/zinc/45/07/97/1040450797.db2.gz RNQMBGVWVTWFGV-IPMKNSEASA-N 1 3 353.551 2.504 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC001253947881 1040466501 /nfs/dbraw/zinc/46/65/01/1040466501.db2.gz SYWGDJFWFYCKHL-RTBURBONSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC001253947881 1040466511 /nfs/dbraw/zinc/46/65/11/1040466511.db2.gz SYWGDJFWFYCKHL-RTBURBONSA-N 1 3 362.493 2.745 20 0 FFADHO C[N@H+](C[C@H]1Cc2ccccc2O1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254042246 1040544907 /nfs/dbraw/zinc/54/49/07/1040544907.db2.gz BMUVMUGOUGIROT-OAQYLSRUSA-N 1 3 366.505 2.949 20 0 FFADHO C[N@@H+](C[C@H]1Cc2ccccc2O1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254042246 1040544925 /nfs/dbraw/zinc/54/49/25/1040544925.db2.gz BMUVMUGOUGIROT-OAQYLSRUSA-N 1 3 366.505 2.949 20 0 FFADHO OCC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001254048327 1040548900 /nfs/dbraw/zinc/54/89/00/1040548900.db2.gz IORPSYIFSSMKIN-NRFANRHFSA-N 1 3 372.484 2.866 20 0 FFADHO OC1(C[NH2+]C[C@H]2CCc3ccccc3O2)CCN(Cc2ccccc2)CC1 ZINC001254055261 1040556410 /nfs/dbraw/zinc/55/64/10/1040556410.db2.gz LHPUFXUKJIFIBO-OAQYLSRUSA-N 1 3 366.505 2.997 20 0 FFADHO CN1CCN(Cc2cccc(-c3noc(C45CCC[NH+]4CCC5)n3)c2)CC1 ZINC001249224385 1040638180 /nfs/dbraw/zinc/63/81/80/1040638180.db2.gz YJMGQMMMHQTVQU-UHFFFAOYSA-N 1 3 367.497 2.569 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1OC)C(C)C ZINC001213593185 1040700442 /nfs/dbraw/zinc/70/04/42/1040700442.db2.gz OFYOMEIUDYHWQJ-GUDVDZBRSA-N 1 3 369.594 2.995 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254518571 1040766940 /nfs/dbraw/zinc/76/69/40/1040766940.db2.gz OFMSWNYLDDBQSW-MOPGFXCFSA-N 1 3 361.530 2.819 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254518571 1040766945 /nfs/dbraw/zinc/76/69/45/1040766945.db2.gz OFMSWNYLDDBQSW-MOPGFXCFSA-N 1 3 361.530 2.819 20 0 FFADHO CN(Cc1ccccn1)[C@H]1COC2(C1)CCN([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254520866 1040767965 /nfs/dbraw/zinc/76/79/65/1040767965.db2.gz YZRPTICEHCEJGR-LEWJYISDSA-N 1 3 372.557 2.621 20 0 FFADHO CN(Cc1ccccn1)[C@H]1COC2(C1)CCN([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254520866 1040767976 /nfs/dbraw/zinc/76/79/76/1040767976.db2.gz YZRPTICEHCEJGR-LEWJYISDSA-N 1 3 372.557 2.621 20 0 FFADHO Cc1cc(C[N@H+]2CCCC3(CCN(Cc4cccn4C)CC3)C2)n(C)n1 ZINC001278516788 1040796692 /nfs/dbraw/zinc/79/66/92/1040796692.db2.gz OFGRIBHUKNHSMX-UHFFFAOYSA-N 1 3 355.530 2.945 20 0 FFADHO Cc1cc(C[N@@H+]2CCCC3(CCN(Cc4cccn4C)CC3)C2)n(C)n1 ZINC001278516788 1040796701 /nfs/dbraw/zinc/79/67/01/1040796701.db2.gz OFGRIBHUKNHSMX-UHFFFAOYSA-N 1 3 355.530 2.945 20 0 FFADHO CC[C@H](c1ccccc1)N1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747114 1040868017 /nfs/dbraw/zinc/86/80/17/1040868017.db2.gz DMQRFLDFTYITSA-VAMGGRTRSA-N 1 3 361.530 2.685 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cccc(C)c2)C[C@H]1OC ZINC001213765135 1040884426 /nfs/dbraw/zinc/88/44/26/1040884426.db2.gz VSRLINAMCXYOEH-DFQSSKMNSA-N 1 3 361.530 2.603 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cccc(C)c2)C[C@H]1OC ZINC001213765135 1040884433 /nfs/dbraw/zinc/88/44/33/1040884433.db2.gz VSRLINAMCXYOEH-DFQSSKMNSA-N 1 3 361.530 2.603 20 0 FFADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254821539 1040981807 /nfs/dbraw/zinc/98/18/07/1040981807.db2.gz HCKQTSGFZNIKCR-QGZVFWFLSA-N 1 3 367.534 2.573 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931045 1041080141 /nfs/dbraw/zinc/08/01/41/1041080141.db2.gz APXBZORVFRYHSC-DSTKZSRVSA-N 1 3 365.562 2.669 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213931099 1041080816 /nfs/dbraw/zinc/08/08/16/1041080816.db2.gz CWNGAWBHHVJKQW-JCHUFIKGSA-N 1 3 365.562 2.669 20 0 FFADHO CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001213931041 1041084004 /nfs/dbraw/zinc/08/40/04/1041084004.db2.gz AKQOZUGQEJIOKM-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001213931041 1041084020 /nfs/dbraw/zinc/08/40/20/1041084020.db2.gz AKQOZUGQEJIOKM-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(c4cnccn4)C2)C3)cc1 ZINC001255131419 1041166069 /nfs/dbraw/zinc/16/60/69/1041166069.db2.gz NKGOZTZELXHVAW-NCYKPQTJSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(c4cnccn4)C2)C3)cc1 ZINC001255131419 1041166075 /nfs/dbraw/zinc/16/60/75/1041166075.db2.gz NKGOZTZELXHVAW-NCYKPQTJSA-N 1 3 363.509 2.841 20 0 FFADHO C(OC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1CCSC1)C2)C1CC1 ZINC001255283481 1041252005 /nfs/dbraw/zinc/25/20/05/1041252005.db2.gz FDUAEDSTWXUJRX-SLFFLAALSA-N 1 3 350.572 2.952 20 0 FFADHO C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1CCSC1)C2)C1CC1 ZINC001255283481 1041252015 /nfs/dbraw/zinc/25/20/15/1041252015.db2.gz FDUAEDSTWXUJRX-SLFFLAALSA-N 1 3 350.572 2.952 20 0 FFADHO CC1=NC2(CCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)C(=O)N1C ZINC001255409567 1041324719 /nfs/dbraw/zinc/32/47/19/1041324719.db2.gz IADIEHOBUKFPPQ-HXUWFJFHSA-N 1 3 368.525 2.766 20 0 FFADHO CC1=NC2(CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)C(=O)N1C ZINC001255409567 1041324729 /nfs/dbraw/zinc/32/47/29/1041324729.db2.gz IADIEHOBUKFPPQ-HXUWFJFHSA-N 1 3 368.525 2.766 20 0 FFADHO COc1cccc([C@@H](O)C[NH2+]CC2CCN(Cc3ccccn3)CC2)c1 ZINC001250737044 1041336278 /nfs/dbraw/zinc/33/62/78/1041336278.db2.gz NJLLVEYURSGDJP-NRFANRHFSA-N 1 3 355.482 2.625 20 0 FFADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)c1ccccc1F ZINC001255464861 1041354347 /nfs/dbraw/zinc/35/43/47/1041354347.db2.gz VTJZJUQYLWDSKV-UHFFFAOYSA-N 1 3 373.538 2.500 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001214754869 1041563313 /nfs/dbraw/zinc/56/33/13/1041563313.db2.gz JZJPHJSADBLCGK-FHLIZLRMSA-N 1 3 369.912 2.956 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001214850637 1041593815 /nfs/dbraw/zinc/59/38/15/1041593815.db2.gz ZQMOSBAJFRXCJK-RBSFLKMASA-N 1 3 362.345 2.720 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001214850637 1041593819 /nfs/dbraw/zinc/59/38/19/1041593819.db2.gz ZQMOSBAJFRXCJK-RBSFLKMASA-N 1 3 362.345 2.720 20 0 FFADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCc1ccccn1 ZINC001215228580 1041707366 /nfs/dbraw/zinc/70/73/66/1041707366.db2.gz WGJXFBVZVRLBHR-YLJYHZDGSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCc1ccccn1 ZINC001215228580 1041707374 /nfs/dbraw/zinc/70/73/74/1041707374.db2.gz WGJXFBVZVRLBHR-YLJYHZDGSA-N 1 3 358.530 2.673 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H](O)CCC1(O)CCC1)c1ccccc1O2 ZINC001262562927 1041722574 /nfs/dbraw/zinc/72/25/74/1041722574.db2.gz PFIFAIYHKPVJFN-MJGOQNOKSA-N 1 3 374.525 2.620 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC2CCOCC2)C1)N(C)C ZINC001215474471 1041798010 /nfs/dbraw/zinc/79/80/10/1041798010.db2.gz UHGPZUQEGNHKJA-MISYRCLQSA-N 1 3 367.578 2.606 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NCc1cc(F)ccc1F ZINC001215557983 1041827111 /nfs/dbraw/zinc/82/71/11/1041827111.db2.gz IAZIMLDLRMOCGJ-RDTXWAMCSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NCc1cc(F)ccc1F ZINC001215557983 1041827116 /nfs/dbraw/zinc/82/71/16/1041827116.db2.gz IAZIMLDLRMOCGJ-RDTXWAMCSA-N 1 3 367.484 2.879 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1 ZINC001215993877 1041925446 /nfs/dbraw/zinc/92/54/46/1041925446.db2.gz GLPUDSYHORCKTQ-YLJYHZDGSA-N 1 3 361.530 2.752 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001216217503 1041980975 /nfs/dbraw/zinc/98/09/75/1041980975.db2.gz VVANTAZORSUHNJ-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001216217503 1041980979 /nfs/dbraw/zinc/98/09/79/1041980979.db2.gz VVANTAZORSUHNJ-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001216851946 1042144516 /nfs/dbraw/zinc/14/45/16/1042144516.db2.gz LTFOGLKKYQPFNF-CRAIPNDOSA-N 1 3 351.922 2.659 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)C1)N(C)C ZINC001263919888 1042532240 /nfs/dbraw/zinc/53/22/40/1042532240.db2.gz KRAKKJSXAIRYEL-QGTPRVQTSA-N 1 3 365.493 2.549 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCc2cccs2)C1 ZINC001264000500 1042574286 /nfs/dbraw/zinc/57/42/86/1042574286.db2.gz SFYGBFLXFHKVLC-SQNIBIBYSA-N 1 3 363.571 2.849 20 0 FFADHO CCOCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001264478813 1042689681 /nfs/dbraw/zinc/68/96/81/1042689681.db2.gz QVWDTLHYMOSSEB-SQGPQFPESA-N 1 3 371.541 2.500 20 0 FFADHO c1cn2cccc(CN[C@@]34CC[C@@]([NH2+]Cc5cn[nH]c5)(C3)CCC4)c2n1 ZINC001279122331 1042908491 /nfs/dbraw/zinc/90/84/91/1042908491.db2.gz SCICJLBMEFFVEO-UXHICEINSA-N 1 3 350.470 2.782 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC3CCN2CC3)oc1C ZINC001279343361 1043014656 /nfs/dbraw/zinc/01/46/56/1043014656.db2.gz JXZZADNTVWQEIW-SLFFLAALSA-N 1 3 357.498 2.556 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC3CCN2CC3)oc1C ZINC001279343361 1043014662 /nfs/dbraw/zinc/01/46/62/1043014662.db2.gz JXZZADNTVWQEIW-SLFFLAALSA-N 1 3 357.498 2.556 20 0 FFADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccccc3-c3cccs3)C[C@@H]21 ZINC001279365382 1043029909 /nfs/dbraw/zinc/02/99/09/1043029909.db2.gz AKZBLKKSFZHTEP-PMACEKPBSA-N 1 3 371.550 2.862 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc(CN4CCOCC4)cc3)C2)C1 ZINC001279394591 1043049950 /nfs/dbraw/zinc/04/99/50/1043049950.db2.gz WPWBUNMPIBHRDW-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCCN(Cc3ccc(CN4CCOCC4)cc3)C2)C1 ZINC001279394591 1043049955 /nfs/dbraw/zinc/04/99/55/1043049955.db2.gz WPWBUNMPIBHRDW-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN1CCC[C@@]2(CCC[N@H+](Cc3ccc(CN4CCOCC4)cc3)C2)C1 ZINC001279394591 1043049965 /nfs/dbraw/zinc/04/99/65/1043049965.db2.gz WPWBUNMPIBHRDW-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(CN4CCOCC4)cc3)C2)C1 ZINC001279394591 1043049974 /nfs/dbraw/zinc/04/99/74/1043049974.db2.gz WPWBUNMPIBHRDW-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1C(F)F ZINC001237274805 1043086125 /nfs/dbraw/zinc/08/61/25/1043086125.db2.gz VVQCOYCFAALMTP-DLBZAZTESA-N 1 3 353.457 2.843 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1C(F)F ZINC001237274805 1043086136 /nfs/dbraw/zinc/08/61/36/1043086136.db2.gz VVQCOYCFAALMTP-DLBZAZTESA-N 1 3 353.457 2.843 20 0 FFADHO Cc1cc(F)cc(C)c1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001237321782 1043108142 /nfs/dbraw/zinc/10/81/42/1043108142.db2.gz FRZBJGHDLSIUDO-UHFFFAOYSA-N 1 3 371.500 2.767 20 0 FFADHO Cc1cc(F)cc(C)c1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001237321782 1043108146 /nfs/dbraw/zinc/10/81/46/1043108146.db2.gz FRZBJGHDLSIUDO-UHFFFAOYSA-N 1 3 371.500 2.767 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(F)c1F ZINC001279440204 1043113745 /nfs/dbraw/zinc/11/37/45/1043113745.db2.gz OKZSOKWBQWNCNJ-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(F)c1F ZINC001279440204 1043113751 /nfs/dbraw/zinc/11/37/51/1043113751.db2.gz OKZSOKWBQWNCNJ-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CCC12C[NH2+]C2 ZINC001237429739 1043155017 /nfs/dbraw/zinc/15/50/17/1043155017.db2.gz JBBHHZHFCNCYPK-QGZVFWFLSA-N 1 3 371.506 2.785 20 0 FFADHO CCn1ccnc1CN1CC[C@H]2[C@@H]1CCN2CC1(C[NH+](C)C)CCCC1 ZINC001279492315 1043179902 /nfs/dbraw/zinc/17/99/02/1043179902.db2.gz KHQXIJKYVXDERT-OALUTQOASA-N 1 3 359.562 2.674 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)c1F ZINC001279525149 1043223388 /nfs/dbraw/zinc/22/33/88/1043223388.db2.gz HDNBJEIJKFVBNC-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c1F ZINC001279525149 1043223393 /nfs/dbraw/zinc/22/33/93/1043223393.db2.gz HDNBJEIJKFVBNC-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO CCc1[nH]ncc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001237648667 1043292851 /nfs/dbraw/zinc/29/28/51/1043292851.db2.gz LOCMAVQDZBIWBZ-KPFFTGBYSA-N 1 3 356.518 2.542 20 0 FFADHO CCc1[nH]ncc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001237648667 1043292855 /nfs/dbraw/zinc/29/28/55/1043292855.db2.gz LOCMAVQDZBIWBZ-KPFFTGBYSA-N 1 3 356.518 2.542 20 0 FFADHO CCSc1ncc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001279609879 1043334894 /nfs/dbraw/zinc/33/48/94/1043334894.db2.gz YGALMEBCZIVKNO-HDICACEKSA-N 1 3 372.542 2.656 20 0 FFADHO CCSc1ncc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001279609879 1043334902 /nfs/dbraw/zinc/33/49/02/1043334902.db2.gz YGALMEBCZIVKNO-HDICACEKSA-N 1 3 372.542 2.656 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2c(C)n[nH]c2C)CC3)n(C)n1 ZINC001279674867 1043446865 /nfs/dbraw/zinc/44/68/65/1043446865.db2.gz OYRFXAQULKAKCE-UHFFFAOYSA-N 1 3 356.518 2.557 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccnc3c(Cl)cccc13)C2 ZINC001279685793 1043467414 /nfs/dbraw/zinc/46/74/14/1043467414.db2.gz GXUKRQWIMGBXKJ-WBVHZDCISA-N 1 3 358.917 2.956 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CCN(Cc1ccc(C)o1)CC2 ZINC001279937243 1043951575 /nfs/dbraw/zinc/95/15/75/1043951575.db2.gz VYZIEPUDMAUTHW-IBGZPJMESA-N 1 3 361.530 2.990 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc(C(F)(F)F)c1 ZINC001239216666 1044073586 /nfs/dbraw/zinc/07/35/86/1044073586.db2.gz OUPZCAAHJXWNID-CQSZACIVSA-N 1 3 356.392 2.701 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC001312251854 1044077844 /nfs/dbraw/zinc/07/78/44/1044077844.db2.gz IEGVBBWXBWSGHE-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(Cc2cccc(Cl)c2)C3)CC1 ZINC001280009475 1044084058 /nfs/dbraw/zinc/08/40/58/1044084058.db2.gz TWGVDNRWCCSAKJ-OXQOHEQNSA-N 1 3 361.917 2.715 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Oc1ccccc1C(F)(F)F ZINC001239320101 1044098672 /nfs/dbraw/zinc/09/86/72/1044098672.db2.gz YAECSDCFXKVULP-LBPRGKRZSA-N 1 3 357.376 2.668 20 0 FFADHO CN(C)CCN(C(=O)Oc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001239339870 1044100038 /nfs/dbraw/zinc/10/00/38/1044100038.db2.gz BNMGWWSPLAMIGF-CYBMUJFWSA-N 1 3 359.392 2.820 20 0 FFADHO Fc1ccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1Cl ZINC001239364321 1044104650 /nfs/dbraw/zinc/10/46/50/1044104650.db2.gz VZESDLUVFLUDPM-LBPRGKRZSA-N 1 3 356.898 2.640 20 0 FFADHO CN1CCN(Cc2cccc(-c3cccc(N4CC[NH2+]CC4)c3)c2)CC1 ZINC001240292967 1044302687 /nfs/dbraw/zinc/30/26/87/1044302687.db2.gz SPRHQRMUHJTRJW-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO C[C@H](CN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)c1ccccc1 ZINC001280192911 1044380870 /nfs/dbraw/zinc/38/08/70/1044380870.db2.gz FMLZYGQCASFJEC-YLJYHZDGSA-N 1 3 355.526 2.665 20 0 FFADHO Cc1ccc(F)c(CNC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001318698692 1044814377 /nfs/dbraw/zinc/81/43/77/1044814377.db2.gz ONKGJVWYLYZMAH-FPDPHYFHSA-N 1 3 361.505 2.849 20 0 FFADHO Cc1ccc(F)c(CNC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c1 ZINC001318698692 1044814398 /nfs/dbraw/zinc/81/43/98/1044814398.db2.gz ONKGJVWYLYZMAH-FPDPHYFHSA-N 1 3 361.505 2.849 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1)[NH+](CC)CC ZINC001316756120 1044912382 /nfs/dbraw/zinc/91/23/82/1044912382.db2.gz AMLFAVMLAFQERB-PMPSAXMXSA-N 1 3 363.468 2.840 20 0 FFADHO CN1CCN(c2cccc(-c3ccccc3CN3CC[NH2+]CC3)c2)CC1 ZINC001243673819 1044990768 /nfs/dbraw/zinc/99/07/68/1044990768.db2.gz HKSMATCYXXCWHB-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO CN1CCN(c2cccc(-c3ccc(N4CC[C@@H]([NH+](C)C)C4)nc3)c2)CC1 ZINC001243671302 1044992198 /nfs/dbraw/zinc/99/21/98/1044992198.db2.gz MIWRXGZGRICNHL-OAQYLSRUSA-N 1 3 365.525 2.641 20 0 FFADHO CC[NH+](CC)C1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC001318339323 1045274922 /nfs/dbraw/zinc/27/49/22/1045274922.db2.gz RCBAHXNUJNBLBJ-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO COc1cccc(/C=C/CCN2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001323228435 1045512873 /nfs/dbraw/zinc/51/28/73/1045512873.db2.gz XTUGDUHTMACZGY-LHISAXLPSA-N 1 3 371.525 2.629 20 0 FFADHO COc1cccc(/C=C/CCN2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001323228435 1045512877 /nfs/dbraw/zinc/51/28/77/1045512877.db2.gz XTUGDUHTMACZGY-LHISAXLPSA-N 1 3 371.525 2.629 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001326006586 1046718701 /nfs/dbraw/zinc/71/87/01/1046718701.db2.gz PAODCVGWSMDQPA-ZWKOTPCHSA-N 1 3 358.530 2.793 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc2)cn1 ZINC001326827860 1047104675 /nfs/dbraw/zinc/10/46/75/1047104675.db2.gz OFMDSXNUHZOZSM-SFHVURJKSA-N 1 3 354.498 2.678 20 0 FFADHO Cc1ccccc1NC(=[NH2+])NCc1ccc(CN2CCN(C)CC2)cc1 ZINC001327782316 1048039402 /nfs/dbraw/zinc/03/94/02/1048039402.db2.gz RJVREMKADKXTLK-UHFFFAOYSA-N 1 3 351.498 2.879 20 0 FFADHO CN(C(=O)CN1CCCC2(CC[NH2+]CC2)C1)[C@H]1CCCc2ccccc21 ZINC001328492255 1048325044 /nfs/dbraw/zinc/32/50/44/1048325044.db2.gz MQPCHOGMOMADCK-FQEVSTJZSA-N 1 3 355.526 2.988 20 0 FFADHO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)cn1 ZINC001332365931 1048363852 /nfs/dbraw/zinc/36/38/52/1048363852.db2.gz SJKAUPHASQXDED-BQJUDKOJSA-N 1 3 365.525 2.642 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@@H]3C[C@H]4C[C@@H](C3)[N@H+](Cc3ccccc3)C4)C2)cn1 ZINC001332365931 1048363863 /nfs/dbraw/zinc/36/38/63/1048363863.db2.gz SJKAUPHASQXDED-BQJUDKOJSA-N 1 3 365.525 2.642 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)cn1 ZINC001332365931 1048363871 /nfs/dbraw/zinc/36/38/71/1048363871.db2.gz SJKAUPHASQXDED-BQJUDKOJSA-N 1 3 365.525 2.642 20 0 FFADHO Cc1cc(C)c(CCNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001332425081 1048391593 /nfs/dbraw/zinc/39/15/93/1048391593.db2.gz VOZIHRBOPBOWLK-UHFFFAOYSA-N 1 3 357.542 2.736 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C/C=C/c2ccccc2)CC[N@@H+]1C ZINC001328738318 1048442481 /nfs/dbraw/zinc/44/24/81/1048442481.db2.gz SNHFQRRYRJDSJC-KUYOEMAJSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C/C=C/c2ccccc2)CC[N@H+]1C ZINC001328738318 1048442484 /nfs/dbraw/zinc/44/24/84/1048442484.db2.gz SNHFQRRYRJDSJC-KUYOEMAJSA-N 1 3 355.526 2.963 20 0 FFADHO O[C@@]1(C2CC2)CCN(Cc2cc(C[N@@H+]3CC[C@@](O)(C4CC4)C3)ccc2F)C1 ZINC001330598245 1049223757 /nfs/dbraw/zinc/22/37/57/1049223757.db2.gz KQLQVKRTQVZFGG-VXKWHMMOSA-N 1 3 374.500 2.519 20 0 FFADHO O[C@@]1(C2CC2)CCN(Cc2cc(C[N@H+]3CC[C@@](O)(C4CC4)C3)ccc2F)C1 ZINC001330598245 1049223762 /nfs/dbraw/zinc/22/37/62/1049223762.db2.gz KQLQVKRTQVZFGG-VXKWHMMOSA-N 1 3 374.500 2.519 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001293093832 1049483736 /nfs/dbraw/zinc/48/37/36/1049483736.db2.gz YCURAUKLFZQXSS-QGZVFWFLSA-N 1 3 364.582 2.737 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001295978179 1050008013 /nfs/dbraw/zinc/00/80/13/1050008013.db2.gz JVQOFVNNCPZTOO-ZWKOTPCHSA-N 1 3 362.566 2.627 20 0 FFADHO CC[C@H](C)C[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001340222359 1050630815 /nfs/dbraw/zinc/63/08/15/1050630815.db2.gz KBHGUPSQKWBOFN-SCTDSRPQSA-N 1 3 361.530 2.766 20 0 FFADHO Cc1cccc(NCCNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC001340472191 1050867951 /nfs/dbraw/zinc/86/79/51/1050867951.db2.gz IDEZQSHKJMWQHA-OAHLLOKOSA-N 1 3 352.360 2.637 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cccc2c1OCCNC2 ZINC001340933116 1051264798 /nfs/dbraw/zinc/26/47/98/1051264798.db2.gz ZQOUZVMRRHCTKU-UHFFFAOYSA-N 1 3 371.456 2.512 20 0 FFADHO C[C@@H]1[C@@H](OC(=O)COC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC001344854869 1052067841 /nfs/dbraw/zinc/06/78/41/1052067841.db2.gz GDLRHUKXEFWZQU-XLIONFOSSA-N 1 3 360.498 2.694 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3cc(Br)ccc3F)C2)CC1 ZINC001308258786 1052438461 /nfs/dbraw/zinc/43/84/61/1052438461.db2.gz PYAGZWMMYNYMJZ-HNNXBMFYSA-N 1 3 370.310 2.846 20 0 FFADHO CN(C)CC[N@H+](C)CCCNCc1cccc(F)c1OC(F)(F)F ZINC001308479434 1052459182 /nfs/dbraw/zinc/45/91/82/1052459182.db2.gz QJCQTSXNNBYNJX-UHFFFAOYSA-N 1 3 351.388 2.697 20 0 FFADHO CN(C)CC[N@@H+](C)CCCNCc1cccc(F)c1OC(F)(F)F ZINC001308479434 1052459186 /nfs/dbraw/zinc/45/91/86/1052459186.db2.gz QJCQTSXNNBYNJX-UHFFFAOYSA-N 1 3 351.388 2.697 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@H](NC(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001308604523 1052475995 /nfs/dbraw/zinc/47/59/95/1052475995.db2.gz ZLLANHUCCNWLTH-RXVVDRJESA-N 1 3 358.530 2.667 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@H](NC(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001308604523 1052475997 /nfs/dbraw/zinc/47/59/97/1052475997.db2.gz ZLLANHUCCNWLTH-RXVVDRJESA-N 1 3 358.530 2.667 20 0 FFADHO CC(C)CC[NH+]1CCC(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC001308747397 1052494723 /nfs/dbraw/zinc/49/47/23/1052494723.db2.gz NGTPMEOVIFWHFV-JTHBVZDNSA-N 1 3 373.585 2.970 20 0 FFADHO C[C@H]([NH3+])C1(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)CCOCC1 ZINC001344469552 1052787323 /nfs/dbraw/zinc/78/73/23/1052787323.db2.gz AHHAOWLSHYRACX-AZUAARDMSA-N 1 3 373.541 2.644 20 0 FFADHO CCCN1CCC[C@H]1C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001344615600 1052860991 /nfs/dbraw/zinc/86/09/91/1052860991.db2.gz YTWVGLHWLAWRCN-SFHVURJKSA-N 1 3 355.486 2.843 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC1CC2(CC([NH3+])C2)C1)c1cccc(OC)c1 ZINC001335366955 1053318294 /nfs/dbraw/zinc/31/82/94/1053318294.db2.gz JMHGKOAORDQFKV-JDKNDNFBSA-N 1 3 374.529 2.647 20 0 FFADHO CCN1CCN(CCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001336709534 1054155890 /nfs/dbraw/zinc/15/58/90/1054155890.db2.gz FBZPPFFUJCFRHW-KRWDZBQOSA-N 1 3 360.329 2.644 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@](C)(c4ccccc4)CC3=O)C[C@@H]2C1 ZINC001337806183 1055028518 /nfs/dbraw/zinc/02/85/18/1055028518.db2.gz QTVGQYPZLXTWNE-BAYUQKDNSA-N 1 3 355.526 2.796 20 0 FFADHO O[C@@H](CCc1ccccc1)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001338504559 1055575371 /nfs/dbraw/zinc/57/53/71/1055575371.db2.gz DMRLIDINVQOURI-QFIPXVFZSA-N 1 3 368.521 2.597 20 0 FFADHO COc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1O ZINC000849058283 1055612124 /nfs/dbraw/zinc/61/21/24/1055612124.db2.gz OODOLCFCISRLRN-UHFFFAOYSA-N 1 3 368.481 2.679 20 0 FFADHO C[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCC[C@H](C)C1 ZINC000849059882 1055613703 /nfs/dbraw/zinc/61/37/03/1055613703.db2.gz VCJNBROSNBCBBZ-DLBZAZTESA-N 1 3 361.509 2.592 20 0 FFADHO C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCCC[C@@H]1C ZINC000849061965 1055614837 /nfs/dbraw/zinc/61/48/37/1055614837.db2.gz HSVQBZWTWYESBE-IRXDYDNUSA-N 1 3 361.509 2.735 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@H+](CC)C3)cc2)CC1 ZINC001338618158 1055672961 /nfs/dbraw/zinc/67/29/61/1055672961.db2.gz HIUHAPIRIVFYSI-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](CC)C3)cc2)CC1 ZINC001338618158 1055672963 /nfs/dbraw/zinc/67/29/63/1055672963.db2.gz HIUHAPIRIVFYSI-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001357491003 1055922930 /nfs/dbraw/zinc/92/29/30/1055922930.db2.gz PQUGMGFSAABIAC-SOLBZPMBSA-N 1 3 357.498 2.646 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001357491003 1055922937 /nfs/dbraw/zinc/92/29/37/1055922937.db2.gz PQUGMGFSAABIAC-SOLBZPMBSA-N 1 3 357.498 2.646 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC001353337498 1056308527 /nfs/dbraw/zinc/30/85/27/1056308527.db2.gz BBIYGRGXFNHTRA-HOCLYGCPSA-N 1 3 371.319 2.510 20 0 FFADHO C[C@H](CNC(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1)[N@H+](C)Cc1ccccc1 ZINC001353547842 1056521877 /nfs/dbraw/zinc/52/18/77/1056521877.db2.gz CBMJNORUICINKR-UZLBHIALSA-N 1 3 364.493 2.674 20 0 FFADHO C[C@H](CNC(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1)[N@@H+](C)Cc1ccccc1 ZINC001353547842 1056521888 /nfs/dbraw/zinc/52/18/88/1056521888.db2.gz CBMJNORUICINKR-UZLBHIALSA-N 1 3 364.493 2.674 20 0 FFADHO [NH3+]Cc1cc(NC(=O)c2ccc3c(c2)OCCNC3)cc(C(F)(F)F)c1 ZINC001353635020 1056599897 /nfs/dbraw/zinc/59/98/97/1056599897.db2.gz VPELGWRUXSNJRN-UHFFFAOYSA-N 1 3 365.355 2.898 20 0 FFADHO CN(C(=S)NCCN1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001200431915 1056676416 /nfs/dbraw/zinc/67/64/16/1056676416.db2.gz RCWDYAOIOBERMM-HXUWFJFHSA-N 1 3 374.598 2.943 20 0 FFADHO CN(C(=S)NCCN1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001200431915 1056676425 /nfs/dbraw/zinc/67/64/25/1056676425.db2.gz RCWDYAOIOBERMM-HXUWFJFHSA-N 1 3 374.598 2.943 20 0 FFADHO C[C@](O)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849099279 1056758771 /nfs/dbraw/zinc/75/87/71/1056758771.db2.gz KKMZQCPXLATKIV-QFIPXVFZSA-N 1 3 366.509 2.673 20 0 FFADHO CCCc1ncc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)o1 ZINC000849116174 1056769966 /nfs/dbraw/zinc/76/99/66/1056769966.db2.gz HHRRPIJMUUGURO-UHFFFAOYSA-N 1 3 355.486 2.906 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001513031327 1058172496 /nfs/dbraw/zinc/17/24/96/1058172496.db2.gz GPOJHQNHGMUFBB-DLBZAZTESA-N 1 3 362.566 2.806 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)C)n2CCN2CC=CCC2)C1 ZINC001501926414 1058740225 /nfs/dbraw/zinc/74/02/25/1058740225.db2.gz SWSNEJAFBFVJDW-IBGZPJMESA-N 1 3 374.577 2.832 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001354246168 1058764537 /nfs/dbraw/zinc/76/45/37/1058764537.db2.gz HPZAHMOYPSMRBI-HBMCJLEFSA-N 1 3 370.541 2.721 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCN1C1CCCC1 ZINC001455688482 1059870218 /nfs/dbraw/zinc/87/02/18/1059870218.db2.gz MHUGOUYFZMXAQP-UIFIKXQLSA-N 1 3 355.526 2.807 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCN1C1CCCC1 ZINC001455688482 1059870242 /nfs/dbraw/zinc/87/02/42/1059870242.db2.gz MHUGOUYFZMXAQP-UIFIKXQLSA-N 1 3 355.526 2.807 20 0 FFADHO [NH3+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC001355352125 1060159313 /nfs/dbraw/zinc/15/93/13/1060159313.db2.gz UAWXJJKLHLBAQR-VQTJNVASSA-N 1 3 370.541 2.804 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3CCN(C(=O)OCc4ccccc4)CC3)[C@H]2C1 ZINC001462673526 1061718029 /nfs/dbraw/zinc/71/80/29/1061718029.db2.gz XQFYWAQZRCLYJY-ACRUOGEOSA-N 1 3 371.525 2.965 20 0 FFADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001492926162 1062265254 /nfs/dbraw/zinc/26/52/54/1062265254.db2.gz BPWXSBXUUJAOCF-GOSISDBHSA-N 1 3 374.577 2.773 20 0 FFADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001492926162 1062265276 /nfs/dbraw/zinc/26/52/76/1062265276.db2.gz BPWXSBXUUJAOCF-GOSISDBHSA-N 1 3 374.577 2.773 20 0 FFADHO CCC(CC)[C@H](Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)[NH+](C)C ZINC001545805791 1062318201 /nfs/dbraw/zinc/31/82/01/1062318201.db2.gz SEDSWVCGKJXWFP-GJYPPUQNSA-N 1 3 364.582 2.872 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001479478227 1062455632 /nfs/dbraw/zinc/45/56/32/1062455632.db2.gz ZIZKRFFIXKEYGX-PBHICJAKSA-N 1 3 352.910 2.584 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001479478227 1062455640 /nfs/dbraw/zinc/45/56/40/1062455640.db2.gz ZIZKRFFIXKEYGX-PBHICJAKSA-N 1 3 352.910 2.584 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(F)cc1F ZINC001496561094 1063624968 /nfs/dbraw/zinc/62/49/68/1063624968.db2.gz IBZBFHMTUJOYCJ-QBIMZIAESA-N 1 3 353.457 2.535 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(F)cc1F ZINC001496561094 1063624976 /nfs/dbraw/zinc/62/49/76/1063624976.db2.gz IBZBFHMTUJOYCJ-QBIMZIAESA-N 1 3 353.457 2.535 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[N@H+](C)C1 ZINC001468301435 1063961998 /nfs/dbraw/zinc/96/19/98/1063961998.db2.gz AVJLLZFSVNIGKK-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C)C1 ZINC001468301435 1063962006 /nfs/dbraw/zinc/96/20/06/1063962006.db2.gz AVJLLZFSVNIGKK-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1ccccc1F ZINC001468537723 1064001421 /nfs/dbraw/zinc/00/14/21/1064001421.db2.gz MUMHPQGVCQIRCD-INIZCTEOSA-N 1 3 366.525 2.675 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1ccccc1F ZINC001468537723 1064001426 /nfs/dbraw/zinc/00/14/26/1064001426.db2.gz MUMHPQGVCQIRCD-INIZCTEOSA-N 1 3 366.525 2.675 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001470431436 1064332512 /nfs/dbraw/zinc/33/25/12/1064332512.db2.gz PHDCOYVDAZJDEI-UHFFFAOYSA-N 1 3 374.573 2.744 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001470431436 1064332526 /nfs/dbraw/zinc/33/25/26/1064332526.db2.gz PHDCOYVDAZJDEI-UHFFFAOYSA-N 1 3 374.573 2.744 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001471044388 1064537012 /nfs/dbraw/zinc/53/70/12/1064537012.db2.gz UYICSHCDGCGUQM-TZIWHRDSSA-N 1 3 374.573 2.984 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001471044388 1064537028 /nfs/dbraw/zinc/53/70/28/1064537028.db2.gz UYICSHCDGCGUQM-TZIWHRDSSA-N 1 3 374.573 2.984 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)C2CC3(C2)C[C@H]([NH3+])CCS3)CC1 ZINC001575132325 1078110037 /nfs/dbraw/zinc/11/00/37/1078110037.db2.gz JJVKCEJHVGKSDU-KOHRHEQBSA-N 1 3 353.576 2.570 20 0 FFADHO CC(C)C[C@](C)(C[NH3+])C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001575533789 1078151048 /nfs/dbraw/zinc/15/10/48/1078151048.db2.gz DIIFNDMQECDUGE-OAQYLSRUSA-N 1 3 354.498 2.895 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC001474067781 1065450027 /nfs/dbraw/zinc/45/00/27/1065450027.db2.gz GFIUJJIMIZVEPJ-BHDDXSALSA-N 1 3 374.525 2.712 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001576734862 1078267813 /nfs/dbraw/zinc/26/78/13/1078267813.db2.gz KUJPAGBGTQXICR-FXAWDEMLSA-N 1 3 355.526 2.793 20 0 FFADHO CC[C@@H]1CN(C)c2ccccc2CN1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001577279558 1078329903 /nfs/dbraw/zinc/32/99/03/1078329903.db2.gz KMSUGNOAVQDAHC-GOSISDBHSA-N 1 3 354.498 2.920 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@H]1C[NH2+]C)c1ccsc1 ZINC001577680771 1078387034 /nfs/dbraw/zinc/38/70/34/1078387034.db2.gz FVIOALVTMUDSAW-IRXDYDNUSA-N 1 3 352.548 2.915 20 0 FFADHO CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC=C(C)C)C[C@H]1C ZINC001577760125 1078397058 /nfs/dbraw/zinc/39/70/58/1078397058.db2.gz MOOKUWFHEAVLLE-XDNAFOTISA-N 1 3 360.550 2.758 20 0 FFADHO CCc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2C[C@@H](C)[NH3+])cc1 ZINC001578250473 1078455807 /nfs/dbraw/zinc/45/58/07/1078455807.db2.gz UXSVXFOPFYFGPR-BRWVUGGUSA-N 1 3 370.545 2.774 20 0 FFADHO [NH3+]Cc1ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC001580339088 1078788972 /nfs/dbraw/zinc/78/89/72/1078788972.db2.gz DARDXKSXUDCTTR-LJQANCHMSA-N 1 3 359.420 2.704 20 0 FFADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001580691955 1078848174 /nfs/dbraw/zinc/84/81/74/1078848174.db2.gz XRZNNHBIJAMPDA-FQEVSTJZSA-N 1 3 358.530 2.873 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3F)C2)c1 ZINC001549521524 1073897934 /nfs/dbraw/zinc/89/79/34/1073897934.db2.gz AKQYXNRQWFJKJF-MJGOQNOKSA-N 1 3 356.445 2.846 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001550281688 1074197278 /nfs/dbraw/zinc/19/72/78/1074197278.db2.gz PSTDEWKZAVBEJW-VCSGRIEYSA-N 1 3 370.541 2.743 20 0 FFADHO C[C@@H](c1cccc(OC(F)(F)F)c1)[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550701855 1074441323 /nfs/dbraw/zinc/44/13/23/1074441323.db2.gz GSFSQLAOBCJNTR-SMDDNHRTSA-N 1 3 355.364 2.643 20 0 FFADHO C[C@@H](c1cccc(OC(F)(F)F)c1)[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550701855 1074441327 /nfs/dbraw/zinc/44/13/27/1074441327.db2.gz GSFSQLAOBCJNTR-SMDDNHRTSA-N 1 3 355.364 2.643 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)s1 ZINC001550741125 1074454595 /nfs/dbraw/zinc/45/45/95/1074454595.db2.gz RDQSJJXCAGYKSR-OALUTQOASA-N 1 3 372.538 2.755 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cccc(C[NH3+])c3)C2)cc1 ZINC001550753594 1074456766 /nfs/dbraw/zinc/45/67/66/1074456766.db2.gz ZDLUDDFFSCAOLQ-HXUWFJFHSA-N 1 3 352.482 2.527 20 0 FFADHO O=C1CC[C@H](NCc2cc3ccccc3nc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC001550910712 1074527968 /nfs/dbraw/zinc/52/79/68/1074527968.db2.gz AMTIIWVLZQOOLU-HKUYNNGSSA-N 1 3 372.900 2.625 20 0 FFADHO CC1(N2CCOCC2)CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001551162118 1074628552 /nfs/dbraw/zinc/62/85/52/1074628552.db2.gz LAZBUMNYPDPXOU-BIXGBWIQSA-N 1 3 363.546 2.543 20 0 FFADHO CC1(N2CCOCC2)CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001551162118 1074628555 /nfs/dbraw/zinc/62/85/55/1074628555.db2.gz LAZBUMNYPDPXOU-BIXGBWIQSA-N 1 3 363.546 2.543 20 0 FFADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(-n2cncn2)cc1 ZINC001551388612 1074710355 /nfs/dbraw/zinc/71/03/55/1074710355.db2.gz HDZUNKOKKZXGTI-OCDPCBSRSA-N 1 3 369.513 2.951 20 0 FFADHO Fc1cc(F)cc(O[C@H]2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)c1 ZINC001551396477 1074715329 /nfs/dbraw/zinc/71/53/29/1074715329.db2.gz IFONRMNIZGHGOW-FUHWJXTLSA-N 1 3 352.425 2.577 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CCN1Cc1ccccc1 ZINC001551548885 1074753546 /nfs/dbraw/zinc/75/35/46/1074753546.db2.gz GJHMCXFWFZPXQQ-OPTGKZCPSA-N 1 3 356.514 2.609 20 0 FFADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C2 ZINC001552183423 1075012871 /nfs/dbraw/zinc/01/28/71/1075012871.db2.gz ILAZVHMOVQEEMD-SBHAEUEKSA-N 1 3 356.514 2.594 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3[C@H]4CCCN[C@@H]4C3(C)C)CC2)oc1C ZINC001553021876 1075200500 /nfs/dbraw/zinc/20/05/00/1075200500.db2.gz DGRQGMRWDRKLQV-YSIASYRMSA-N 1 3 360.546 2.870 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553416537 1075302983 /nfs/dbraw/zinc/30/29/83/1075302983.db2.gz KETUZELOYVUBCR-IXDOHACOSA-N 1 3 362.543 2.526 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553448404 1075310896 /nfs/dbraw/zinc/31/08/96/1075310896.db2.gz MBHBRRCPHIGEQP-PCCBWWKXSA-N 1 3 370.541 2.997 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OC(F)F ZINC001560395055 1076269946 /nfs/dbraw/zinc/26/99/46/1076269946.db2.gz AOMAXIOJZYQMTE-HZPDHXFCSA-N 1 3 370.440 2.764 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2c[nH]nc2-c2cccs2)C1 ZINC001560436374 1076273179 /nfs/dbraw/zinc/27/31/79/1076273179.db2.gz CVZKIZOOBBLAFY-SFHVURJKSA-N 1 3 368.506 2.995 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2c[nH]nc2-c2cccs2)C1 ZINC001560436374 1076273181 /nfs/dbraw/zinc/27/31/81/1076273181.db2.gz CVZKIZOOBBLAFY-SFHVURJKSA-N 1 3 368.506 2.995 20 0 FFADHO CC[NH+](CC)CC[C@@H](CO)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001560520688 1076277681 /nfs/dbraw/zinc/27/76/81/1076277681.db2.gz DZDHVBGLVNSCOJ-JCYILVPMSA-N 1 3 357.539 2.505 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C2)cc1 ZINC001565245569 1076703275 /nfs/dbraw/zinc/70/32/75/1076703275.db2.gz VJZOFEIQUSBPHZ-HXUWFJFHSA-N 1 3 360.546 2.799 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1)[NH+](CC)CC ZINC001565972603 1076820667 /nfs/dbraw/zinc/82/06/67/1076820667.db2.gz HTMHEHQOYMWEIF-RYRKJORJSA-N 1 3 366.575 2.980 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001565976972 1076823224 /nfs/dbraw/zinc/82/32/24/1076823224.db2.gz KRPUTOKDLQYHKD-QYZOEREBSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1ccc(F)c(CNC[C@@H](C2CC2)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001571360728 1077247650 /nfs/dbraw/zinc/24/76/50/1077247650.db2.gz YTIDEANESJLWMP-ZTNFWEORSA-N 1 3 361.505 2.801 20 0 FFADHO Cc1ccc(F)c(CNC[C@@H](C2CC2)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001571360728 1077247657 /nfs/dbraw/zinc/24/76/57/1077247657.db2.gz YTIDEANESJLWMP-ZTNFWEORSA-N 1 3 361.505 2.801 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CSc4ccccc43)CC2)CC1 ZINC000118323850 250381543 /nfs/dbraw/zinc/38/15/43/250381543.db2.gz XIJTXVLJXNHICA-GOSISDBHSA-N 1 3 359.539 2.551 20 0 FFADHO COCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268807577 251391155 /nfs/dbraw/zinc/39/11/55/251391155.db2.gz CDDRIKOTDCEWNE-SIKLNZKXSA-N 1 3 359.558 2.988 20 0 FFADHO [NH3+]C[C@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1 ZINC000269231776 251399127 /nfs/dbraw/zinc/39/91/27/251399127.db2.gz DEEQHUBMYMRNKV-NRFANRHFSA-N 1 3 367.493 2.572 20 0 FFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000268792192 251386890 /nfs/dbraw/zinc/38/68/90/251386890.db2.gz DMFJCZKXYTVFNG-QGZVFWFLSA-N 1 3 360.502 2.559 20 0 FFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000268792192 251386894 /nfs/dbraw/zinc/38/68/94/251386894.db2.gz DMFJCZKXYTVFNG-QGZVFWFLSA-N 1 3 360.502 2.559 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270346388 251523439 /nfs/dbraw/zinc/52/34/39/251523439.db2.gz OUKNXKMIONJAMG-RTWAWAEBSA-N 1 3 372.557 2.533 20 0 FFADHO CSCC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000272438430 252038120 /nfs/dbraw/zinc/03/81/20/252038120.db2.gz KNCWPMLOHJESSR-NJAFHUGGSA-N 1 3 351.560 2.949 20 0 FFADHO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc(OCCN(C)C)c1 ZINC000274328306 255864653 /nfs/dbraw/zinc/86/46/53/255864653.db2.gz AJFJBALMFGFTGZ-OAHLLOKOSA-N 1 3 360.527 2.823 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000276055964 256068616 /nfs/dbraw/zinc/06/86/16/256068616.db2.gz BQCYZNMANFJRAH-UHFFFAOYSA-N 1 3 364.534 2.500 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000277768458 256237126 /nfs/dbraw/zinc/23/71/26/256237126.db2.gz ZOIYGYDUUAJLNM-LJQANCHMSA-N 1 3 373.541 2.903 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@](C)(N)c3ccccc3)cc2)CC1 ZINC000278295699 256296632 /nfs/dbraw/zinc/29/66/32/256296632.db2.gz RIAQXYLHPNFUSN-QFIPXVFZSA-N 1 3 366.509 2.637 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1nccn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278959046 256366096 /nfs/dbraw/zinc/36/60/96/256366096.db2.gz MFUDBZSGPXOQGS-GTAWCEEGSA-N 1 3 354.498 2.750 20 0 FFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OC ZINC000279849340 256457078 /nfs/dbraw/zinc/45/70/78/256457078.db2.gz IEXNCERMICTPJK-DLBZAZTESA-N 1 3 363.546 2.811 20 0 FFADHO CN1CCN(C)[C@H](CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000286176532 257024033 /nfs/dbraw/zinc/02/40/33/257024033.db2.gz QRFXGNQLQDRRRE-WBADGQHESA-N 1 3 370.585 2.513 20 0 FFADHO CN1CCN(C)[C@H](CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000286176532 257024034 /nfs/dbraw/zinc/02/40/34/257024034.db2.gz QRFXGNQLQDRRRE-WBADGQHESA-N 1 3 370.585 2.513 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000288393974 257183648 /nfs/dbraw/zinc/18/36/48/257183648.db2.gz IVNQUGOXRJCRBW-IBGZPJMESA-N 1 3 362.493 2.602 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC1CCN(CC(F)(F)F)CC1 ZINC000288682526 257217769 /nfs/dbraw/zinc/21/77/69/257217769.db2.gz XFUXSAWEPUHVRR-UHFFFAOYSA-N 1 3 374.451 2.528 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000288599833 257210507 /nfs/dbraw/zinc/21/05/07/257210507.db2.gz YNQIMCWNJUOUQK-RXVVDRJESA-N 1 3 355.526 2.984 20 0 FFADHO CCOc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1OC ZINC000289390629 257278520 /nfs/dbraw/zinc/27/85/20/257278520.db2.gz DTZWCOZSLAQNNK-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO COCCOCc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000289690830 257294228 /nfs/dbraw/zinc/29/42/28/257294228.db2.gz KBKIJBPITSJTBC-KDURUIRLSA-N 1 3 364.530 2.829 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000291192337 257390469 /nfs/dbraw/zinc/39/04/69/257390469.db2.gz PGURAYMASAJRHF-DHIUTWEWSA-N 1 3 371.569 2.661 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000292151877 257464834 /nfs/dbraw/zinc/46/48/34/257464834.db2.gz UJTIERLVUKOQOW-LJQANCHMSA-N 1 3 359.514 2.556 20 0 FFADHO Cc1cc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c2ccccc2[nH+]1 ZINC000301409843 258047826 /nfs/dbraw/zinc/04/78/26/258047826.db2.gz OJGJWRMQCGBKLE-IBGZPJMESA-N 1 3 368.525 2.774 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-c2cnco2)cc1 ZINC000299668272 258015282 /nfs/dbraw/zinc/01/52/82/258015282.db2.gz QHADCCOKTYLSPH-LJQANCHMSA-N 1 3 370.497 2.830 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-c2cnco2)cc1 ZINC000299668272 258015283 /nfs/dbraw/zinc/01/52/83/258015283.db2.gz QHADCCOKTYLSPH-LJQANCHMSA-N 1 3 370.497 2.830 20 0 FFADHO Cc1cc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc[nH+]1 ZINC000302575554 258106443 /nfs/dbraw/zinc/10/64/43/258106443.db2.gz QWANQJLUUQVXSV-LJQANCHMSA-N 1 3 351.498 2.824 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311396180 258115323 /nfs/dbraw/zinc/11/53/23/258115323.db2.gz PBUTZCNJPTYUCB-SFTDATJTSA-N 1 3 351.494 2.585 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311396180 258115324 /nfs/dbraw/zinc/11/53/24/258115324.db2.gz PBUTZCNJPTYUCB-SFTDATJTSA-N 1 3 351.494 2.585 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000053250510 506342175 /nfs/dbraw/zinc/34/21/75/506342175.db2.gz NRPFQOXTRUMENS-FQEVSTJZSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655931 521193828 /nfs/dbraw/zinc/19/38/28/521193828.db2.gz ZTMFQFGGJONEIK-WFASDCNBSA-N 1 3 358.267 2.811 20 0 FFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(I)cc1 ZINC000596655931 521193837 /nfs/dbraw/zinc/19/38/37/521193837.db2.gz ZTMFQFGGJONEIK-WFASDCNBSA-N 1 3 358.267 2.811 20 0 FFADHO CC(C)c1scnc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377365142 512235626 /nfs/dbraw/zinc/23/56/26/512235626.db2.gz CECHMLMZTAZTNQ-UHFFFAOYSA-N 1 3 365.547 2.947 20 0 FFADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000375292410 512253740 /nfs/dbraw/zinc/25/37/40/512253740.db2.gz LFWIVMBJFDXMIZ-FBRLZHCOSA-N 1 3 357.542 2.945 20 0 FFADHO COC[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CCOCC1 ZINC000375304977 512258758 /nfs/dbraw/zinc/25/87/58/512258758.db2.gz YRCPPHZKOVBXQP-NRFANRHFSA-N 1 3 362.514 2.691 20 0 FFADHO C[C@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000369173606 512266384 /nfs/dbraw/zinc/26/63/84/512266384.db2.gz JBFDFAWARBPVSN-PGRDOPGGSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@H](NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000369173606 512266388 /nfs/dbraw/zinc/26/63/88/512266388.db2.gz JBFDFAWARBPVSN-PGRDOPGGSA-N 1 3 370.541 2.848 20 0 FFADHO CN(CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000054763989 506616541 /nfs/dbraw/zinc/61/65/41/506616541.db2.gz XYQPQMVENKOJAB-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO CC[NH+]1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000367010835 512295395 /nfs/dbraw/zinc/29/53/95/512295395.db2.gz TVXSHDTUBJYNAA-SFHVURJKSA-N 1 3 365.468 2.744 20 0 FFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000367022832 512300768 /nfs/dbraw/zinc/30/07/68/512300768.db2.gz JNLORCJOXUPPBA-QUCCMNQESA-N 1 3 350.595 2.645 20 0 FFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000367022831 512301170 /nfs/dbraw/zinc/30/11/70/512301170.db2.gz JNLORCJOXUPPBA-ICSRJNTNSA-N 1 3 350.595 2.645 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000067687415 506976361 /nfs/dbraw/zinc/97/63/61/506976361.db2.gz UOSIFKQDGPZZSM-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000057042991 507158333 /nfs/dbraw/zinc/15/83/33/507158333.db2.gz CNZXDJQCVAAZME-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000058274234 507399377 /nfs/dbraw/zinc/39/93/77/507399377.db2.gz FDMOEVGJJAQXMF-RTBURBONSA-N 1 3 361.505 2.886 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000058274234 507399384 /nfs/dbraw/zinc/39/93/84/507399384.db2.gz FDMOEVGJJAQXMF-RTBURBONSA-N 1 3 361.505 2.886 20 0 FFADHO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000050137078 507667062 /nfs/dbraw/zinc/66/70/62/507667062.db2.gz QHGFWJPELVYSAS-INIZCTEOSA-N 1 3 352.548 2.601 20 0 FFADHO COc1ccccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000027907041 507692529 /nfs/dbraw/zinc/69/25/29/507692529.db2.gz IRGYLISAGQRGJA-UHFFFAOYSA-N 1 3 361.530 2.611 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000050799068 507713674 /nfs/dbraw/zinc/71/36/74/507713674.db2.gz MQPIUULXIFGALA-NRFANRHFSA-N 1 3 355.526 2.781 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)c3ccccc3)CC2)CC1 ZINC000051760631 507783501 /nfs/dbraw/zinc/78/35/01/507783501.db2.gz FJPVRRKWUYINNW-UHFFFAOYSA-N 1 3 372.557 2.822 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000052523484 507812018 /nfs/dbraw/zinc/81/20/18/507812018.db2.gz ZVIGDLXSNFEPTH-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000108541437 507902640 /nfs/dbraw/zinc/90/26/40/507902640.db2.gz DVFTWHPSVPIVTO-HOTGVXAUSA-N 1 3 350.532 2.526 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000108541437 507902642 /nfs/dbraw/zinc/90/26/42/507902642.db2.gz DVFTWHPSVPIVTO-HOTGVXAUSA-N 1 3 350.532 2.526 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000108544927 507902768 /nfs/dbraw/zinc/90/27/68/507902768.db2.gz UPOPBCGYEOPJSL-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000108554472 507904089 /nfs/dbraw/zinc/90/40/89/507904089.db2.gz ODBFWRCGSWZXPI-ZIFCJYIRSA-N 1 3 350.551 2.528 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000108554472 507904091 /nfs/dbraw/zinc/90/40/91/507904091.db2.gz ODBFWRCGSWZXPI-ZIFCJYIRSA-N 1 3 350.551 2.528 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cccc(OCCN(C)C)c1 ZINC000090802120 507937032 /nfs/dbraw/zinc/93/70/32/507937032.db2.gz KVAYYEYCFVXHFI-HKUYNNGSSA-N 1 3 354.498 2.952 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC1CCN(CCc3ccccc3)CC1)C2 ZINC000073618443 507938652 /nfs/dbraw/zinc/93/86/52/507938652.db2.gz KGOXCHMKTOTMLM-LEWJYISDSA-N 1 3 370.541 2.572 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC1CCN(CCc3ccccc3)CC1)C2 ZINC000073618443 507938655 /nfs/dbraw/zinc/93/86/55/507938655.db2.gz KGOXCHMKTOTMLM-LEWJYISDSA-N 1 3 370.541 2.572 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000079223944 507945757 /nfs/dbraw/zinc/94/57/57/507945757.db2.gz BGGMPIZJHPPZIT-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000079223944 507945759 /nfs/dbraw/zinc/94/57/59/507945759.db2.gz BGGMPIZJHPPZIT-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000073874665 507963092 /nfs/dbraw/zinc/96/30/92/507963092.db2.gz ZGLXSHWTVJAPAL-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCN(C2CCCC2)CC1 ZINC000091233278 507971933 /nfs/dbraw/zinc/97/19/33/507971933.db2.gz YFTPDRLXWGBYCC-UHFFFAOYSA-N 1 3 371.529 2.568 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1nccs1 ZINC000074364946 508016744 /nfs/dbraw/zinc/01/67/44/508016744.db2.gz BHMRCTDDANQITN-HZPDHXFCSA-N 1 3 367.563 2.652 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1nccs1 ZINC000074364946 508016745 /nfs/dbraw/zinc/01/67/45/508016745.db2.gz BHMRCTDDANQITN-HZPDHXFCSA-N 1 3 367.563 2.652 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000080079066 508034689 /nfs/dbraw/zinc/03/46/89/508034689.db2.gz YFCMQXXAODAVCD-YSIASYRMSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000080079066 508034692 /nfs/dbraw/zinc/03/46/92/508034692.db2.gz YFCMQXXAODAVCD-YSIASYRMSA-N 1 3 370.541 2.823 20 0 FFADHO CC[NH+](CC)CCOC1CCN([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000075007844 508076434 /nfs/dbraw/zinc/07/64/34/508076434.db2.gz BDLUKBXDDZSQFA-OTWHNJEPSA-N 1 3 367.578 2.987 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000377650164 512377444 /nfs/dbraw/zinc/37/74/44/512377444.db2.gz WRWGNCURBLYKMS-NHCUHLMSSA-N 1 3 362.537 2.577 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093125306 508122465 /nfs/dbraw/zinc/12/24/65/508122465.db2.gz XKOTUOOYLNQKMI-LJQANCHMSA-N 1 3 373.545 2.862 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093125306 508122466 /nfs/dbraw/zinc/12/24/66/508122466.db2.gz XKOTUOOYLNQKMI-LJQANCHMSA-N 1 3 373.545 2.862 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111875306 508132968 /nfs/dbraw/zinc/13/29/68/508132968.db2.gz LVDAXKVJMUDJMN-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111875306 508132971 /nfs/dbraw/zinc/13/29/71/508132971.db2.gz LVDAXKVJMUDJMN-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO O=C(CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)N1CCc2sccc2C1 ZINC000075835947 508136781 /nfs/dbraw/zinc/13/67/81/508136781.db2.gz OORMJBHZHAKRBD-QGZVFWFLSA-N 1 3 361.555 2.831 20 0 FFADHO O=C(CC[N@H+]1CC[C@H](CN2CCCCC2)C1)N1CCc2sccc2C1 ZINC000075835947 508136784 /nfs/dbraw/zinc/13/67/84/508136784.db2.gz OORMJBHZHAKRBD-QGZVFWFLSA-N 1 3 361.555 2.831 20 0 FFADHO CCSCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156148 508142051 /nfs/dbraw/zinc/14/20/51/508142051.db2.gz BDMFEZUEDOCMJP-UHFFFAOYSA-N 1 3 363.571 2.700 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289866 508157008 /nfs/dbraw/zinc/15/70/08/508157008.db2.gz HJKIMEQIRYMAHT-SFHVURJKSA-N 1 3 359.514 2.621 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081289866 508157011 /nfs/dbraw/zinc/15/70/11/508157011.db2.gz HJKIMEQIRYMAHT-SFHVURJKSA-N 1 3 359.514 2.621 20 0 FFADHO CN1CCC(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000081314966 508161481 /nfs/dbraw/zinc/16/14/81/508161481.db2.gz CAOYFZFOXXYZEH-UHFFFAOYSA-N 1 3 372.513 2.781 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)C1CC1 ZINC000101975661 508262270 /nfs/dbraw/zinc/26/22/70/508262270.db2.gz ZUWOSZYOUPKFOU-FQEVSTJZSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)C1CC1 ZINC000101975661 508262273 /nfs/dbraw/zinc/26/22/73/508262273.db2.gz ZUWOSZYOUPKFOU-FQEVSTJZSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)C ZINC000102548733 508276991 /nfs/dbraw/zinc/27/69/91/508276991.db2.gz JVSMAKLEVDMRIO-INIZCTEOSA-N 1 3 352.548 2.915 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(C)C ZINC000102548733 508276995 /nfs/dbraw/zinc/27/69/95/508276995.db2.gz JVSMAKLEVDMRIO-INIZCTEOSA-N 1 3 352.548 2.915 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103305512 508305801 /nfs/dbraw/zinc/30/58/01/508305801.db2.gz MOLDQARROZRDSW-CTNGQTDRSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103305512 508305803 /nfs/dbraw/zinc/30/58/03/508305803.db2.gz MOLDQARROZRDSW-CTNGQTDRSA-N 1 3 372.557 2.725 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103305318 508305813 /nfs/dbraw/zinc/30/58/13/508305813.db2.gz WRYBBXNXDBEUOH-NRFANRHFSA-N 1 3 372.557 2.582 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000103305318 508305815 /nfs/dbraw/zinc/30/58/15/508305815.db2.gz WRYBBXNXDBEUOH-NRFANRHFSA-N 1 3 372.557 2.582 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000104279746 508331122 /nfs/dbraw/zinc/33/11/22/508331122.db2.gz ALZHYORMQFOHBZ-OAQYLSRUSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(C)C1CC1 ZINC000105094077 508360148 /nfs/dbraw/zinc/36/01/48/508360148.db2.gz UNMXBFTUPNACMN-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000089215596 508391215 /nfs/dbraw/zinc/39/12/15/508391215.db2.gz XHBXGDSSRWGWAX-MRXNPFEDSA-N 1 3 363.469 2.625 20 0 FFADHO CC(C)Oc1ccccc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127233203 508418289 /nfs/dbraw/zinc/41/82/89/508418289.db2.gz VFKYWTBCGQTJFU-UHFFFAOYSA-N 1 3 373.541 2.691 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000121937720 508453143 /nfs/dbraw/zinc/45/31/43/508453143.db2.gz HANCGBULTSQIEQ-UHFFFAOYSA-N 1 3 355.486 2.848 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000127488806 508458000 /nfs/dbraw/zinc/45/80/00/508458000.db2.gz FJSLBZRWWKEZOA-MRXNPFEDSA-N 1 3 356.514 2.878 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000116561061 508529851 /nfs/dbraw/zinc/52/98/51/508529851.db2.gz GDWIMEGOVFGLKJ-UWJYYQICSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000116561061 508529855 /nfs/dbraw/zinc/52/98/55/508529855.db2.gz GDWIMEGOVFGLKJ-UWJYYQICSA-N 1 3 370.541 2.996 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCO[C@H]2CCOC2)CC1 ZINC000153089117 508547127 /nfs/dbraw/zinc/54/71/27/508547127.db2.gz CBLFZACUKIKTJK-FQEVSTJZSA-N 1 3 361.530 2.504 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000157932152 508633993 /nfs/dbraw/zinc/63/39/93/508633993.db2.gz IKPDMBGZGYQKHH-SJORKVTESA-N 1 3 367.559 2.757 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000157932152 508633996 /nfs/dbraw/zinc/63/39/96/508633996.db2.gz IKPDMBGZGYQKHH-SJORKVTESA-N 1 3 367.559 2.757 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000123343182 508672037 /nfs/dbraw/zinc/67/20/37/508672037.db2.gz NIUHYHZNKGQXMA-PZJWPPBQSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000123343182 508672042 /nfs/dbraw/zinc/67/20/42/508672042.db2.gz NIUHYHZNKGQXMA-PZJWPPBQSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCC(C)CC1 ZINC000129194442 508696197 /nfs/dbraw/zinc/69/61/97/508696197.db2.gz LLIOXULOGGPUJS-GGPKGHCWSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCC(C)CC1 ZINC000129194442 508696200 /nfs/dbraw/zinc/69/62/00/508696200.db2.gz LLIOXULOGGPUJS-GGPKGHCWSA-N 1 3 362.562 2.765 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119016194 508706617 /nfs/dbraw/zinc/70/66/17/508706617.db2.gz CTFJCUQAAWOEMH-UHFFFAOYSA-N 1 3 360.546 2.880 20 0 FFADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(CN2CCCC2)c1 ZINC000136817391 508717962 /nfs/dbraw/zinc/71/79/62/508717962.db2.gz LKHVTGWUTFDNEV-IBGZPJMESA-N 1 3 371.525 2.513 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000154235748 508742507 /nfs/dbraw/zinc/74/25/07/508742507.db2.gz HAEFLFASNMVBOC-KRWDZBQOSA-N 1 3 373.545 2.649 20 0 FFADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000123988045 508767746 /nfs/dbraw/zinc/76/77/46/508767746.db2.gz SGKBWHUIUFJVTD-INIZCTEOSA-N 1 3 350.470 2.965 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000123988045 508767748 /nfs/dbraw/zinc/76/77/48/508767748.db2.gz SGKBWHUIUFJVTD-INIZCTEOSA-N 1 3 350.470 2.965 20 0 FFADHO C(NC1CC[NH+](C2CCCCC2)CC1)[C@]1(N2CCOCC2)CCSC1 ZINC000154388964 508774343 /nfs/dbraw/zinc/77/43/43/508774343.db2.gz JENQPTBJKRQEEY-HXUWFJFHSA-N 1 3 367.603 2.581 20 0 FFADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@]1(N2CCOCC2)CCSC1 ZINC000154388964 508774345 /nfs/dbraw/zinc/77/43/45/508774345.db2.gz JENQPTBJKRQEEY-HXUWFJFHSA-N 1 3 367.603 2.581 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCN1C ZINC000139531389 508790063 /nfs/dbraw/zinc/79/00/63/508790063.db2.gz XWIGQWRLZXLLID-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCN1C ZINC000139531389 508790067 /nfs/dbraw/zinc/79/00/67/508790067.db2.gz XWIGQWRLZXLLID-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000154465344 508790754 /nfs/dbraw/zinc/79/07/54/508790754.db2.gz ZPUNFUOAAPDBIU-KRWDZBQOSA-N 1 3 372.557 2.985 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000124325933 508815620 /nfs/dbraw/zinc/81/56/20/508815620.db2.gz KVWQKVWDWVIOCK-SFHVURJKSA-N 1 3 361.530 2.725 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000124325933 508815623 /nfs/dbraw/zinc/81/56/23/508815623.db2.gz KVWQKVWDWVIOCK-SFHVURJKSA-N 1 3 361.530 2.725 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCN1Cc1ccccc1 ZINC000119587190 508823707 /nfs/dbraw/zinc/82/37/07/508823707.db2.gz SITPCXFBQHTXAS-UNMCSNQZSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)N(C)Cc1ccccc1 ZINC000119663692 508840041 /nfs/dbraw/zinc/84/00/41/508840041.db2.gz CXIHBOJXGDCJEN-KKXNLOMOSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)N1CCOCC1 ZINC000120028771 508913019 /nfs/dbraw/zinc/91/30/19/508913019.db2.gz DKDYKQMBGBQMRX-RXVVDRJESA-N 1 3 363.546 2.634 20 0 FFADHO Cc1coc(-c2cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)n1 ZINC000120266876 508961312 /nfs/dbraw/zinc/96/13/12/508961312.db2.gz LVSNEFFGSBACLU-UHFFFAOYSA-N 1 3 359.474 2.607 20 0 FFADHO CCOC(=O)c1cnn(C2CC[NH+](CCCN3CCCCC3)CC2)c1C ZINC000375632560 512428877 /nfs/dbraw/zinc/42/88/77/512428877.db2.gz VKURBIXLPNVMNS-UHFFFAOYSA-N 1 3 362.518 2.881 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2c(C)nn(C)c2C)CC1 ZINC000151443888 509018036 /nfs/dbraw/zinc/01/80/36/509018036.db2.gz TVXWPPYWYZNBOG-UHFFFAOYSA-N 1 3 369.557 2.901 20 0 FFADHO CC(C)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCN(C)CC1 ZINC000132394901 509026318 /nfs/dbraw/zinc/02/63/18/509026318.db2.gz KCQJSGNGGBJOER-NRFANRHFSA-N 1 3 350.595 2.645 20 0 FFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C(F)(F)F ZINC000132536721 509042058 /nfs/dbraw/zinc/04/20/58/509042058.db2.gz JQYPBERADXHAIX-UHFFFAOYSA-N 1 3 360.424 2.971 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000125914278 509044154 /nfs/dbraw/zinc/04/41/54/509044154.db2.gz GHABWUWPWWLPOB-XLIONFOSSA-N 1 3 358.530 2.538 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000120840960 509074177 /nfs/dbraw/zinc/07/41/77/509074177.db2.gz MKUQURKNDQMWTE-FXAWDEMLSA-N 1 3 370.541 2.884 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000126534273 509092029 /nfs/dbraw/zinc/09/20/29/509092029.db2.gz ZIOBULVPVNOZRA-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000126626332 509104888 /nfs/dbraw/zinc/10/48/88/509104888.db2.gz IIRXUBKEIVDRTR-AEFFLSMTSA-N 1 3 350.551 2.813 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121573069 509178781 /nfs/dbraw/zinc/17/87/81/509178781.db2.gz MVGHRUYYVXVQTD-UHFFFAOYSA-N 1 3 369.509 2.871 20 0 FFADHO O=C(C[NH+]1CCCC1)N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185508813 509212921 /nfs/dbraw/zinc/21/29/21/509212921.db2.gz ZMAJSTKGBNUZRB-UHFFFAOYSA-N 1 3 361.452 2.595 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185518387 509217834 /nfs/dbraw/zinc/21/78/34/509217834.db2.gz RPZPBJLBUBETEO-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000185518387 509217839 /nfs/dbraw/zinc/21/78/39/509217839.db2.gz RPZPBJLBUBETEO-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248043973 509223271 /nfs/dbraw/zinc/22/32/71/509223271.db2.gz MOBCRQQFTGKBHU-VQTJNVASSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248043973 509223275 /nfs/dbraw/zinc/22/32/75/509223275.db2.gz MOBCRQQFTGKBHU-VQTJNVASSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248043973 509223279 /nfs/dbraw/zinc/22/32/79/509223279.db2.gz MOBCRQQFTGKBHU-VQTJNVASSA-N 1 3 356.514 2.702 20 0 FFADHO CN1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000179084843 509255896 /nfs/dbraw/zinc/25/58/96/509255896.db2.gz YMXQETBXPDXYCD-RBUKOAKNSA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@H](NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1nccn1C ZINC000182474379 509257051 /nfs/dbraw/zinc/25/70/51/509257051.db2.gz NTBKRGRUVNYONK-FQEVSTJZSA-N 1 3 355.530 2.799 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CN1C1CC1 ZINC000185620067 509268723 /nfs/dbraw/zinc/26/87/23/509268723.db2.gz SJHCGJWYGUIMFF-DLBZAZTESA-N 1 3 350.551 2.956 20 0 FFADHO C[NH+](C)CCOCCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000219324722 509287310 /nfs/dbraw/zinc/28/73/10/509287310.db2.gz QELFXHDSOFXCHB-OAHLLOKOSA-N 1 3 357.292 2.831 20 0 FFADHO CC[N@H+](CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C1CC1 ZINC000176083262 509314811 /nfs/dbraw/zinc/31/48/11/509314811.db2.gz HJITWLFBIMHUMN-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C1CC1 ZINC000176083262 509314813 /nfs/dbraw/zinc/31/48/13/509314813.db2.gz HJITWLFBIMHUMN-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000182585524 509316294 /nfs/dbraw/zinc/31/62/94/509316294.db2.gz GCLASKWADHWDDW-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000248617574 509395838 /nfs/dbraw/zinc/39/58/38/509395838.db2.gz MFUIQERRLCXPOT-WBVHZDCISA-N 1 3 352.548 2.724 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000163671912 509408609 /nfs/dbraw/zinc/40/86/09/509408609.db2.gz QWSJHKSXPCNKCD-PXNSSMCTSA-N 1 3 358.530 2.679 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000164609843 509518860 /nfs/dbraw/zinc/51/88/60/509518860.db2.gz WLZUYLHLFCYQTL-FQEVSTJZSA-N 1 3 355.482 2.723 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@]2(C)CCCCN2)ccc1OC ZINC000236877886 509523867 /nfs/dbraw/zinc/52/38/67/509523867.db2.gz PRVQZTHQYYVCEF-HXUWFJFHSA-N 1 3 363.502 2.887 20 0 FFADHO COC(=O)[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000248917667 509544758 /nfs/dbraw/zinc/54/47/58/509544758.db2.gz UZPHUJHHEPPSEP-FXAWDEMLSA-N 1 3 373.541 2.848 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000176504924 509549688 /nfs/dbraw/zinc/54/96/88/509549688.db2.gz HBKBLZDVWGRKOL-UHFFFAOYSA-N 1 3 362.518 2.713 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000248958627 509554759 /nfs/dbraw/zinc/55/47/59/509554759.db2.gz FUZCQAGALWRGOY-IEBWSBKVSA-N 1 3 358.530 2.633 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237035015 509556620 /nfs/dbraw/zinc/55/66/20/509556620.db2.gz TWZQVULPBXXOKU-UHFFFAOYSA-N 1 3 366.509 2.947 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C)CC1 ZINC000173381528 509563653 /nfs/dbraw/zinc/56/36/53/509563653.db2.gz MXVPNMFYVXZPQA-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C)CC1 ZINC000173381528 509563661 /nfs/dbraw/zinc/56/36/61/509563661.db2.gz MXVPNMFYVXZPQA-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000237179081 509587952 /nfs/dbraw/zinc/58/79/52/509587952.db2.gz XCZWUWWGXYSJFU-UHFFFAOYSA-N 1 3 350.466 2.749 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1Cl ZINC000165914905 509589277 /nfs/dbraw/zinc/58/92/77/509589277.db2.gz ZVLLXONKPPJMDR-QGZVFWFLSA-N 1 3 361.873 2.789 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000237241881 509601100 /nfs/dbraw/zinc/60/11/00/509601100.db2.gz BSZYYXXELQPSME-CTNGQTDRSA-N 1 3 351.494 2.709 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000237241881 509601105 /nfs/dbraw/zinc/60/11/05/509601105.db2.gz BSZYYXXELQPSME-CTNGQTDRSA-N 1 3 351.494 2.709 20 0 FFADHO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000183136941 509620419 /nfs/dbraw/zinc/62/04/19/509620419.db2.gz RGAMPXFILOTVLH-XSDIEEQYSA-N 1 3 365.525 2.792 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000189537218 509626821 /nfs/dbraw/zinc/62/68/21/509626821.db2.gz KIAACFOTKHXPJC-IBGZPJMESA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)CCCCCC[NH3+])cc1)[C@H]1CCCN(C)C1 ZINC000169209440 509657183 /nfs/dbraw/zinc/65/71/83/509657183.db2.gz LAUOAVNJXMROIO-IBGZPJMESA-N 1 3 374.529 2.701 20 0 FFADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169224905 509658481 /nfs/dbraw/zinc/65/84/81/509658481.db2.gz JKWGGQPUISEQCE-KDOFPFPSSA-N 1 3 367.921 2.673 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000265090134 509856897 /nfs/dbraw/zinc/85/68/97/509856897.db2.gz AYNCUIFYIBMCOA-UHFFFAOYSA-N 1 3 353.510 2.772 20 0 FFADHO Cc1cncc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000189969093 509859448 /nfs/dbraw/zinc/85/94/48/509859448.db2.gz MTOAROQZQQMJSL-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000265097631 509860412 /nfs/dbraw/zinc/86/04/12/509860412.db2.gz SGJGYYDCXHDHJR-NHCUHLMSSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000265097631 509860416 /nfs/dbraw/zinc/86/04/16/509860416.db2.gz SGJGYYDCXHDHJR-NHCUHLMSSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)N(C(=O)[C@@H](C)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000245386275 509889768 /nfs/dbraw/zinc/88/97/68/509889768.db2.gz LYJMDEVSXRVCLG-GUDVDZBRSA-N 1 3 367.578 2.842 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000171078587 509928040 /nfs/dbraw/zinc/92/80/40/509928040.db2.gz IRRLKFCUPVOEFC-MRXNPFEDSA-N 1 3 350.507 2.616 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000171078587 509928043 /nfs/dbraw/zinc/92/80/43/509928043.db2.gz IRRLKFCUPVOEFC-MRXNPFEDSA-N 1 3 350.507 2.616 20 0 FFADHO CCCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268446856 509934820 /nfs/dbraw/zinc/93/48/20/509934820.db2.gz UJIDQMWXYHSYME-UHFFFAOYSA-N 1 3 350.503 2.809 20 0 FFADHO CCN(CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000171188959 509995118 /nfs/dbraw/zinc/99/51/18/509995118.db2.gz LGHTWQPYJTXBJM-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000183994675 510077708 /nfs/dbraw/zinc/07/77/08/510077708.db2.gz XLMQWZLCYITXJM-UTKZUKDTSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)(C)N1CCC([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000180730203 510078389 /nfs/dbraw/zinc/07/83/89/510078389.db2.gz RORMOUFFABZTQH-UHFFFAOYSA-N 1 3 357.498 2.915 20 0 FFADHO CC(C)(C)[NH+]1CCC(NCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000180730203 510078395 /nfs/dbraw/zinc/07/83/95/510078395.db2.gz RORMOUFFABZTQH-UHFFFAOYSA-N 1 3 357.498 2.915 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000261863555 510093851 /nfs/dbraw/zinc/09/38/51/510093851.db2.gz YDUWQUSNXPTXFS-SIKLNZKXSA-N 1 3 373.541 2.642 20 0 FFADHO CC[C@@]1(C)CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000174467310 510128879 /nfs/dbraw/zinc/12/88/79/510128879.db2.gz VYNVUUIEXUDRKT-FQEVSTJZSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccc2cc(CN3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)ccc2n1 ZINC000261985092 510138270 /nfs/dbraw/zinc/13/82/70/510138270.db2.gz RVCSKYUFGPVKFW-GHTZIAJQSA-N 1 3 366.509 2.623 20 0 FFADHO COc1cccc([C@@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000177629878 510168164 /nfs/dbraw/zinc/16/81/64/510168164.db2.gz AJCXHGOZLKJAAS-KRWDZBQOSA-N 1 3 373.541 2.864 20 0 FFADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262136943 510188293 /nfs/dbraw/zinc/18/82/93/510188293.db2.gz OWPMBVFFOQAGRN-LJQANCHMSA-N 1 3 373.932 2.622 20 0 FFADHO COc1ccc(-c2ccccc2)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262150200 510191776 /nfs/dbraw/zinc/19/17/76/510191776.db2.gz RDLKFVAWOQNMJO-OAQYLSRUSA-N 1 3 351.494 2.842 20 0 FFADHO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180940310 510194437 /nfs/dbraw/zinc/19/44/37/510194437.db2.gz OTMNOIVGJIDDRE-RTBURBONSA-N 1 3 374.573 2.519 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000245969582 510234462 /nfs/dbraw/zinc/23/44/62/510234462.db2.gz FGTLVMCUASQVEM-NRSPTQNISA-N 1 3 368.562 2.519 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000245969582 510234466 /nfs/dbraw/zinc/23/44/66/510234466.db2.gz FGTLVMCUASQVEM-NRSPTQNISA-N 1 3 368.562 2.519 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)c2csc(CC[NH3+])n2)CCN1Cc1ccccc1 ZINC000262423795 510275589 /nfs/dbraw/zinc/27/55/89/510275589.db2.gz VKDRXOBKPUYQJJ-RDJZCZTQSA-N 1 3 372.538 2.769 20 0 FFADHO CC[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000262673645 510362726 /nfs/dbraw/zinc/36/27/26/510362726.db2.gz QIRWZRIVCNJZLM-YFVAEKQCSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000194438287 510364863 /nfs/dbraw/zinc/36/48/63/510364863.db2.gz ZVZWGCJXMAHERE-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000194438287 510364871 /nfs/dbraw/zinc/36/48/71/510364871.db2.gz ZVZWGCJXMAHERE-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262778855 510408767 /nfs/dbraw/zinc/40/87/67/510408767.db2.gz KGBGOSOISYNSPI-UYZIEWPDSA-N 1 3 373.541 2.688 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262778855 510408775 /nfs/dbraw/zinc/40/87/75/510408775.db2.gz KGBGOSOISYNSPI-UYZIEWPDSA-N 1 3 373.541 2.688 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000262803753 510418751 /nfs/dbraw/zinc/41/87/51/510418751.db2.gz RWLBYDOLKFTFLH-CEQIKUNHSA-N 1 3 361.530 2.765 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1(C)C ZINC000262803757 510418822 /nfs/dbraw/zinc/41/88/22/510418822.db2.gz RWLBYDOLKFTFLH-QLVMHMETSA-N 1 3 361.530 2.765 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1(C)C ZINC000262818574 510425579 /nfs/dbraw/zinc/42/55/79/510425579.db2.gz XIQNXHADTUWESG-KNQAVFIVSA-N 1 3 373.541 2.821 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@H]2CSCCN2)cc1 ZINC000246347018 510440289 /nfs/dbraw/zinc/44/02/89/510440289.db2.gz WHRWJIUVIWMVOG-APWZRJJASA-N 1 3 361.555 2.772 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]2CSCCN2)cc1 ZINC000246347018 510440295 /nfs/dbraw/zinc/44/02/95/510440295.db2.gz WHRWJIUVIWMVOG-APWZRJJASA-N 1 3 361.555 2.772 20 0 FFADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)[C@@H](C)C1 ZINC000246423470 510482075 /nfs/dbraw/zinc/48/20/75/510482075.db2.gz NKPYEAYQGQEHOX-FXAWDEMLSA-N 1 3 364.965 2.782 20 0 FFADHO CC[N@H+]1CC[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)[C@@H](C)C1 ZINC000246423470 510482081 /nfs/dbraw/zinc/48/20/81/510482081.db2.gz NKPYEAYQGQEHOX-FXAWDEMLSA-N 1 3 364.965 2.782 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000246451182 510496314 /nfs/dbraw/zinc/49/63/14/510496314.db2.gz UPYHNUCLAMRDDZ-SJLPKXTDSA-N 1 3 364.559 2.772 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000175162332 510511306 /nfs/dbraw/zinc/51/13/06/510511306.db2.gz DMJWBZOGDSIORD-VQTJNVASSA-N 1 3 358.530 2.823 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC000172063128 510522299 /nfs/dbraw/zinc/52/22/99/510522299.db2.gz MBGYXEZHNZMMPN-UHFFFAOYSA-N 1 3 362.562 2.767 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000246503157 510525089 /nfs/dbraw/zinc/52/50/89/510525089.db2.gz WSCFRAGEGJXPJY-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000246503157 510525093 /nfs/dbraw/zinc/52/50/93/510525093.db2.gz WSCFRAGEGJXPJY-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246611820 510581841 /nfs/dbraw/zinc/58/18/41/510581841.db2.gz BPSMNGIWNHYAMA-JYRKZWEQSA-N 1 3 372.557 2.927 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246611820 510581845 /nfs/dbraw/zinc/58/18/45/510581845.db2.gz BPSMNGIWNHYAMA-JYRKZWEQSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H](NCCNC(=O)c1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000178452048 510611055 /nfs/dbraw/zinc/61/10/55/510611055.db2.gz IIINUHKZVKSRHL-MRXNPFEDSA-N 1 3 373.472 2.847 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc2)CC1 ZINC000263220511 510618310 /nfs/dbraw/zinc/61/83/10/510618310.db2.gz LUGFVXIZHCFCKY-PZJWPPBQSA-N 1 3 358.530 2.670 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)cc1 ZINC000263272254 510639516 /nfs/dbraw/zinc/63/95/16/510639516.db2.gz SKAOGKSTRLXHRM-RBBKRZOGSA-N 1 3 373.541 2.931 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000263355772 510676809 /nfs/dbraw/zinc/67/68/09/510676809.db2.gz ROXKSSSFDPBQFA-SFHVURJKSA-N 1 3 354.454 2.605 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000175630733 510702333 /nfs/dbraw/zinc/70/23/33/510702333.db2.gz AIJVQFBAXDMEFI-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175645495 510711027 /nfs/dbraw/zinc/71/10/27/510711027.db2.gz HGFVJWMBHOHHAF-AZUAARDMSA-N 1 3 356.514 2.553 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175645495 510711035 /nfs/dbraw/zinc/71/10/35/510711035.db2.gz HGFVJWMBHOHHAF-AZUAARDMSA-N 1 3 356.514 2.553 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000246958456 510769586 /nfs/dbraw/zinc/76/95/86/510769586.db2.gz IKPDMBGZGYQKHH-DLBZAZTESA-N 1 3 367.559 2.757 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000246958456 510769593 /nfs/dbraw/zinc/76/95/93/510769593.db2.gz IKPDMBGZGYQKHH-DLBZAZTESA-N 1 3 367.559 2.757 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H](N)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000178816192 510787391 /nfs/dbraw/zinc/78/73/91/510787391.db2.gz NTCVYFOSUFHEGH-ZHALLVOQSA-N 1 3 357.523 2.817 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(CO)c1 ZINC000182231099 510825864 /nfs/dbraw/zinc/82/58/64/510825864.db2.gz JQWZWOFGBFNEFV-VGOFRKELSA-N 1 3 354.494 2.986 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(CO)c1 ZINC000182231099 510825866 /nfs/dbraw/zinc/82/58/66/510825866.db2.gz JQWZWOFGBFNEFV-VGOFRKELSA-N 1 3 354.494 2.986 20 0 FFADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000182238883 510828135 /nfs/dbraw/zinc/82/81/35/510828135.db2.gz YUOLUAWQXDUIFA-RTBURBONSA-N 1 3 350.528 2.728 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000247301767 510856146 /nfs/dbraw/zinc/85/61/46/510856146.db2.gz VBKHGEVGDFBDRF-RTWAWAEBSA-N 1 3 372.557 2.534 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000247301767 510856147 /nfs/dbraw/zinc/85/61/47/510856147.db2.gz VBKHGEVGDFBDRF-RTWAWAEBSA-N 1 3 372.557 2.534 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000247468560 510861930 /nfs/dbraw/zinc/86/19/30/510861930.db2.gz GIGRMWOZOXEIPS-NHCUHLMSSA-N 1 3 372.557 2.725 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000247468560 510861931 /nfs/dbraw/zinc/86/19/31/510861931.db2.gz GIGRMWOZOXEIPS-NHCUHLMSSA-N 1 3 372.557 2.725 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000285427823 510902569 /nfs/dbraw/zinc/90/25/69/510902569.db2.gz YMDZKUUOONVKBX-FQEVSTJZSA-N 1 3 367.493 2.851 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1)C(C)C ZINC000294094898 510953858 /nfs/dbraw/zinc/95/38/58/510953858.db2.gz OCCGJLQDQSJCOY-UHFFFAOYSA-N 1 3 357.502 2.927 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1)C(C)C ZINC000294094898 510953862 /nfs/dbraw/zinc/95/38/62/510953862.db2.gz OCCGJLQDQSJCOY-UHFFFAOYSA-N 1 3 357.502 2.927 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297517712 510976408 /nfs/dbraw/zinc/97/64/08/510976408.db2.gz WLTOJICPNNBQHL-PIIMJCKOSA-N 1 3 358.486 2.505 20 0 FFADHO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297659060 511025345 /nfs/dbraw/zinc/02/53/45/511025345.db2.gz NRLXPDHXWYRWBK-UHFFFAOYSA-N 1 3 359.495 2.634 20 0 FFADHO Cc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282593818 511038387 /nfs/dbraw/zinc/03/83/87/511038387.db2.gz HDCDKRBWIAPEKW-UHFFFAOYSA-N 1 3 355.530 2.511 20 0 FFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294407625 511054600 /nfs/dbraw/zinc/05/46/00/511054600.db2.gz SVIWGWFACSHTCY-KRWDZBQOSA-N 1 3 374.529 2.710 20 0 FFADHO COCCn1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000271158396 511102377 /nfs/dbraw/zinc/10/23/77/511102377.db2.gz OVNFMOWTZCGJCW-UHFFFAOYSA-N 1 3 356.514 2.874 20 0 FFADHO COCCn1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000271158396 511102381 /nfs/dbraw/zinc/10/23/81/511102381.db2.gz OVNFMOWTZCGJCW-UHFFFAOYSA-N 1 3 356.514 2.874 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2=CCN(C)CC2)CC1 ZINC000361985446 511111936 /nfs/dbraw/zinc/11/19/36/511111936.db2.gz ICVFTKZWVSTQGI-QGZVFWFLSA-N 1 3 356.514 2.773 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000298267559 511231119 /nfs/dbraw/zinc/23/11/19/511231119.db2.gz GEXIKMWTEGLKEK-GOSISDBHSA-N 1 3 360.502 2.943 20 0 FFADHO CC(C)[C@H](CCO)NCc1cc(C[NH2+][C@@H](CCO)C(C)C)ccc1F ZINC000295065821 511268322 /nfs/dbraw/zinc/26/83/22/511268322.db2.gz VUTKDMYEOFCGOV-PMACEKPBSA-N 1 3 354.510 2.819 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000295127922 511291558 /nfs/dbraw/zinc/29/15/58/511291558.db2.gz YDCGXGOBTIBNEG-WZYMTQMTSA-N 1 3 361.486 2.636 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000295127922 511291561 /nfs/dbraw/zinc/29/15/61/511291561.db2.gz YDCGXGOBTIBNEG-WZYMTQMTSA-N 1 3 361.486 2.636 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)c1ccsc1 ZINC000271773877 511318576 /nfs/dbraw/zinc/31/85/76/511318576.db2.gz AMTPYDNJCZRHPV-KRWDZBQOSA-N 1 3 350.532 2.692 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000271773877 511318581 /nfs/dbraw/zinc/31/85/81/511318581.db2.gz AMTPYDNJCZRHPV-KRWDZBQOSA-N 1 3 350.532 2.692 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)N2CCCC2)cc1 ZINC000333725425 511336552 /nfs/dbraw/zinc/33/65/52/511336552.db2.gz HBLDPZNEXDEROV-TUFLPTIASA-N 1 3 370.541 2.901 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000295318441 511361193 /nfs/dbraw/zinc/36/11/93/511361193.db2.gz WPDBJDDQFZWPAM-PBHICJAKSA-N 1 3 357.420 2.685 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363250099 511443945 /nfs/dbraw/zinc/44/39/45/511443945.db2.gz IUSPYWZVSWLCRV-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363250099 511443949 /nfs/dbraw/zinc/44/39/49/511443949.db2.gz IUSPYWZVSWLCRV-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCC[C@]2(CC[N@H+](CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000293002924 511801815 /nfs/dbraw/zinc/80/18/15/511801815.db2.gz PAHWDLOLYBYOQR-QFIPXVFZSA-N 1 3 356.558 2.616 20 0 FFADHO CN1CCC[C@]2(CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000293002924 511801817 /nfs/dbraw/zinc/80/18/17/511801817.db2.gz PAHWDLOLYBYOQR-QFIPXVFZSA-N 1 3 356.558 2.616 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000293002924 511801819 /nfs/dbraw/zinc/80/18/19/511801819.db2.gz PAHWDLOLYBYOQR-QFIPXVFZSA-N 1 3 356.558 2.616 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000293002924 511801822 /nfs/dbraw/zinc/80/18/22/511801822.db2.gz PAHWDLOLYBYOQR-QFIPXVFZSA-N 1 3 356.558 2.616 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000364187767 512008570 /nfs/dbraw/zinc/00/85/70/512008570.db2.gz CVAAAHGQAQQXBK-CTNGQTDRSA-N 1 3 358.574 2.655 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1)C(C)C ZINC000366549765 512082528 /nfs/dbraw/zinc/08/25/28/512082528.db2.gz FSUPYWAYAOFDRC-OAQYLSRUSA-N 1 3 373.541 2.900 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1)C(C)C ZINC000366549765 512082533 /nfs/dbraw/zinc/08/25/33/512082533.db2.gz FSUPYWAYAOFDRC-OAQYLSRUSA-N 1 3 373.541 2.900 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000373819348 512520761 /nfs/dbraw/zinc/52/07/61/512520761.db2.gz XAPGABDNVOEVER-SESVDKBCSA-N 1 3 354.498 2.864 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373922000 512572619 /nfs/dbraw/zinc/57/26/19/512572619.db2.gz JVIKKIZDGGIJNP-ROUUACIJSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373922000 512572622 /nfs/dbraw/zinc/57/26/22/512572622.db2.gz JVIKKIZDGGIJNP-ROUUACIJSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000375968446 512593999 /nfs/dbraw/zinc/59/39/99/512593999.db2.gz JHGADPAQKRPQTP-SJLPKXTDSA-N 1 3 369.431 2.595 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000411459787 512646642 /nfs/dbraw/zinc/64/66/42/512646642.db2.gz LHNAZUPNWNVPHS-QGZVFWFLSA-N 1 3 369.513 2.512 20 0 FFADHO COc1ccc([C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000411486655 512659117 /nfs/dbraw/zinc/65/91/17/512659117.db2.gz HVXVFORNOHKPTB-NRFANRHFSA-N 1 3 359.514 2.725 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1c1ccccc1 ZINC000369877871 512660960 /nfs/dbraw/zinc/66/09/60/512660960.db2.gz MEYRASZPROIKFK-DQLDELGASA-N 1 3 355.526 2.711 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374155549 512682990 /nfs/dbraw/zinc/68/29/90/512682990.db2.gz BMBQMQMDTGCFFU-PKOBYXMFSA-N 1 3 371.525 2.823 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000369987246 512714025 /nfs/dbraw/zinc/71/40/25/512714025.db2.gz RBRGCIXQGAEQBY-RBUKOAKNSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000369987246 512714029 /nfs/dbraw/zinc/71/40/29/512714029.db2.gz RBRGCIXQGAEQBY-RBUKOAKNSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411718144 512777302 /nfs/dbraw/zinc/77/73/02/512777302.db2.gz KKGLCZCHOZBZCX-KNQAVFIVSA-N 1 3 357.542 2.968 20 0 FFADHO COc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000368114367 512808155 /nfs/dbraw/zinc/80/81/55/512808155.db2.gz XPALOERZMPLKFJ-PWRODBHTSA-N 1 3 371.525 2.584 20 0 FFADHO COCCC[NH+]1CCC(NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000411905507 512869594 /nfs/dbraw/zinc/86/95/94/512869594.db2.gz MUTMRBKYMIJTBV-UHFFFAOYSA-N 1 3 373.541 2.903 20 0 FFADHO CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388858232 512897722 /nfs/dbraw/zinc/89/77/22/512897722.db2.gz OXGAPZGZNOIQHE-LEWJYISDSA-N 1 3 351.494 2.852 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389835529 512902762 /nfs/dbraw/zinc/90/27/62/512902762.db2.gz DGUAHJMTVNTYCH-UWJYYQICSA-N 1 3 351.494 2.699 20 0 FFADHO C[NH+](C)CCCCNCc1ccc(F)cc1I ZINC000390350988 512906483 /nfs/dbraw/zinc/90/64/83/512906483.db2.gz YUSMKEVERXQWAR-UHFFFAOYSA-N 1 3 350.219 2.862 20 0 FFADHO c1ccc(CN2CCN(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000390665590 512908546 /nfs/dbraw/zinc/90/85/46/512908546.db2.gz MTLZFQGAONVDPE-RJGXRXQPSA-N 1 3 370.585 2.705 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000370632419 513023903 /nfs/dbraw/zinc/02/39/03/513023903.db2.gz AOMVPZCYEIEHAR-IEBWSBKVSA-N 1 3 353.514 2.691 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@H]2CCC[C@H]21 ZINC000368616182 513028002 /nfs/dbraw/zinc/02/80/02/513028002.db2.gz SAKWBKLIRREKPT-WCIQWLHISA-N 1 3 357.498 2.767 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000368797879 513106919 /nfs/dbraw/zinc/10/69/19/513106919.db2.gz NNOOMNIAPIVDBZ-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)[C@H]1c1cccs1 ZINC000445873283 513134856 /nfs/dbraw/zinc/13/48/56/513134856.db2.gz DQQYYYGMJWTJHY-RDJZCZTQSA-N 1 3 364.559 2.915 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417647045 513135724 /nfs/dbraw/zinc/13/57/24/513135724.db2.gz DTOXXXSDWMLZOM-COHPWVSRSA-N 1 3 356.514 2.575 20 0 FFADHO Cc1ccc(NC(=O)NC[C@H](N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000415197228 513147972 /nfs/dbraw/zinc/14/79/72/513147972.db2.gz AARHRQYTDXMTBP-KRWDZBQOSA-N 1 3 356.470 2.757 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450341670 513150334 /nfs/dbraw/zinc/15/03/34/513150334.db2.gz LUANGLWJIMSKKV-YXTQBTIXSA-N 1 3 360.542 2.972 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000424453855 513154313 /nfs/dbraw/zinc/15/43/13/513154313.db2.gz MKAQLLGZDJXHJN-QRVBRYPASA-N 1 3 362.518 2.647 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000417692237 513165846 /nfs/dbraw/zinc/16/58/46/513165846.db2.gz OGJIQWGJYPLVLI-POAQFYNOSA-N 1 3 356.514 2.748 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000412578345 513171627 /nfs/dbraw/zinc/17/16/27/513171627.db2.gz RCNYRBDAIGDVEN-CQSZACIVSA-N 1 3 351.491 2.741 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1NCCc2ccccc21 ZINC000417709370 513175488 /nfs/dbraw/zinc/17/54/88/513175488.db2.gz ORQZUUPROAZGPT-FQEVSTJZSA-N 1 3 358.530 2.829 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@H]1c1cccs1 ZINC000417733899 513185462 /nfs/dbraw/zinc/18/54/62/513185462.db2.gz JICABXDINITABO-HHXXYDBFSA-N 1 3 362.543 2.526 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417742607 513189867 /nfs/dbraw/zinc/18/98/67/513189867.db2.gz WDLBONSKFLJBOF-UXLLHSPISA-N 1 3 352.548 2.948 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415302971 513194555 /nfs/dbraw/zinc/19/45/55/513194555.db2.gz DCKLKXXBMGVYHX-UHFFFAOYSA-N 1 3 372.513 2.983 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000433951414 513195416 /nfs/dbraw/zinc/19/54/16/513195416.db2.gz DBODNDZJWNEKFW-AZUAARDMSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000433951414 513195424 /nfs/dbraw/zinc/19/54/24/513195424.db2.gz DBODNDZJWNEKFW-AZUAARDMSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NCC1CC[NH+](C2CC2)CC1 ZINC000428865662 513213122 /nfs/dbraw/zinc/21/31/22/513213122.db2.gz WTTDEXHMMYIBBW-OAQYLSRUSA-N 1 3 370.541 2.825 20 0 FFADHO CN(C)[C@@]1(CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCSC1 ZINC000417809047 513215446 /nfs/dbraw/zinc/21/54/46/513215446.db2.gz AQEZXKZTWQKYIX-UYAOXDASSA-N 1 3 372.538 2.576 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417821628 513221909 /nfs/dbraw/zinc/22/19/09/513221909.db2.gz ISYSGPXDSWUYNR-ICSRJNTNSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446262704 513222373 /nfs/dbraw/zinc/22/23/73/513222373.db2.gz OSQBSGIYHQUUBL-NNMXDRDESA-N 1 3 373.541 2.676 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446262704 513222377 /nfs/dbraw/zinc/22/23/77/513222377.db2.gz OSQBSGIYHQUUBL-NNMXDRDESA-N 1 3 373.541 2.676 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000417827255 513224608 /nfs/dbraw/zinc/22/46/08/513224608.db2.gz PIKXHVLTMZCIAU-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000417832526 513227006 /nfs/dbraw/zinc/22/70/06/513227006.db2.gz SWBGBHXFMOSZCH-ZWOKBUDYSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000428984106 513238930 /nfs/dbraw/zinc/23/89/30/513238930.db2.gz WPVGNLZVFLADLF-HNBVOPMISA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000428984106 513238932 /nfs/dbraw/zinc/23/89/32/513238932.db2.gz WPVGNLZVFLADLF-HNBVOPMISA-N 1 3 358.530 2.821 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccnn3-c3ccccc3)CC2)CC1 ZINC000421371661 513239660 /nfs/dbraw/zinc/23/96/60/513239660.db2.gz KCAQQMLJLGFMPN-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccnn3-c3ccccc3)CC2)CC1 ZINC000421371661 513239665 /nfs/dbraw/zinc/23/96/65/513239665.db2.gz KCAQQMLJLGFMPN-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccnn3-c3ccccc3)CC2)CC1 ZINC000421371661 513239671 /nfs/dbraw/zinc/23/96/71/513239671.db2.gz KCAQQMLJLGFMPN-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CN1Cc1ccccc1 ZINC000417869680 513247199 /nfs/dbraw/zinc/24/71/99/513247199.db2.gz HMVMGMDIKBYITJ-WLRLJWMZSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000429029077 513261533 /nfs/dbraw/zinc/26/15/33/513261533.db2.gz DHGRDIRYCUNYNC-SUMWQHHRSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000429029077 513261537 /nfs/dbraw/zinc/26/15/37/513261537.db2.gz DHGRDIRYCUNYNC-SUMWQHHRSA-N 1 3 359.297 2.761 20 0 FFADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415467837 513274562 /nfs/dbraw/zinc/27/45/62/513274562.db2.gz WHMIVBBYRDEQTL-AWEZNQCLSA-N 1 3 354.454 2.654 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)NC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000417922354 513278545 /nfs/dbraw/zinc/27/85/45/513278545.db2.gz ISKNUPISHOXXPU-AJYBTWMASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)NC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000417922354 513278552 /nfs/dbraw/zinc/27/85/52/513278552.db2.gz ISKNUPISHOXXPU-AJYBTWMASA-N 1 3 358.530 2.679 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)N2CCCC2)c1 ZINC000446569310 513283613 /nfs/dbraw/zinc/28/36/13/513283613.db2.gz MNJLISGLCWYOSI-LJQANCHMSA-N 1 3 374.529 2.616 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)[C@@H]1c1ccccc1 ZINC000417938731 513291356 /nfs/dbraw/zinc/29/13/56/513291356.db2.gz JSZPNFMRRPOGGL-OALUTQOASA-N 1 3 356.514 2.607 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[C@H]1c1ccccc1 ZINC000417949012 513299317 /nfs/dbraw/zinc/29/93/17/513299317.db2.gz UKKWUCWHJMYFDA-HSALFYBXSA-N 1 3 356.514 2.605 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CC[NH3+])CCc2ccccc2)[C@H]1c1ccccc1 ZINC000417948170 513299802 /nfs/dbraw/zinc/29/98/02/513299802.db2.gz STYDNQJEIWYPJO-NHCUHLMSSA-N 1 3 366.509 2.645 20 0 FFADHO CN1CC[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)[C@@H]1c1ccccc1 ZINC000417953775 513304142 /nfs/dbraw/zinc/30/41/42/513304142.db2.gz ZJUZHODPYHUADW-PMACEKPBSA-N 1 3 358.530 2.982 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418032872 513343046 /nfs/dbraw/zinc/34/30/46/513343046.db2.gz MIYBFDFJUQJQAR-ZCNNSNEGSA-N 1 3 360.546 2.960 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000418032457 513343663 /nfs/dbraw/zinc/34/36/63/513343663.db2.gz LZGGUVVHSHYRSF-IHPCNDPISA-N 1 3 360.546 2.769 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000418053533 513355164 /nfs/dbraw/zinc/35/51/64/513355164.db2.gz CMZDVYFLQTYNSV-OAQYLSRUSA-N 1 3 368.525 2.852 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000418061998 513357233 /nfs/dbraw/zinc/35/72/33/513357233.db2.gz FTCVVJKGVTZVCC-ROUUACIJSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1NCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H]1C ZINC000418159944 513397806 /nfs/dbraw/zinc/39/78/06/513397806.db2.gz RRHSMALDKKXEGF-JENIJYKNSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1NCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H]1C ZINC000418159944 513397813 /nfs/dbraw/zinc/39/78/13/513397813.db2.gz RRHSMALDKKXEGF-JENIJYKNSA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000418165395 513401271 /nfs/dbraw/zinc/40/12/71/513401271.db2.gz JIHCEDJIDSNFQO-KDOFPFPSSA-N 1 3 356.470 2.811 20 0 FFADHO C[C@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000418184205 513409799 /nfs/dbraw/zinc/40/97/99/513409799.db2.gz POYKMOAGODHJEG-PKOBYXMFSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000418189061 513413013 /nfs/dbraw/zinc/41/30/13/513413013.db2.gz HFLDGKUDPOWBKD-NJYVYQBISA-N 1 3 372.557 2.881 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000418194649 513416451 /nfs/dbraw/zinc/41/64/51/513416451.db2.gz PEUGUADAWQETPR-HBMCJLEFSA-N 1 3 372.557 2.739 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000418240522 513438685 /nfs/dbraw/zinc/43/86/85/513438685.db2.gz ZQOUKWHCWSTVKS-RDJZCZTQSA-N 1 3 352.548 2.828 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000418247397 513441149 /nfs/dbraw/zinc/44/11/49/513441149.db2.gz QRXBDGZWWADEJU-MOPGFXCFSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000418286110 513452818 /nfs/dbraw/zinc/45/28/18/513452818.db2.gz GXJSZVIEBLTHLS-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO CC1(C)CN(C(=O)NCCC[NH3+])[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418317450 513460209 /nfs/dbraw/zinc/46/02/09/513460209.db2.gz YLXLDPSIAVDZDC-LJQANCHMSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000441023260 513462559 /nfs/dbraw/zinc/46/25/59/513462559.db2.gz SMIUOSRIZQKBGW-ZWKOTPCHSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000441023260 513462568 /nfs/dbraw/zinc/46/25/68/513462568.db2.gz SMIUOSRIZQKBGW-ZWKOTPCHSA-N 1 3 350.551 2.815 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418337817 513470123 /nfs/dbraw/zinc/47/01/23/513470123.db2.gz BXYWZZCQOBAECW-WMLDXEAASA-N 1 3 352.910 2.632 20 0 FFADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418355330 513479551 /nfs/dbraw/zinc/47/95/51/513479551.db2.gz WYOWPRZUYDKDLH-WSTZPKSXSA-N 1 3 358.530 2.538 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000415940401 513490053 /nfs/dbraw/zinc/49/00/53/513490053.db2.gz UAVCYGBCTCYEEQ-HXUWFJFHSA-N 1 3 368.481 2.983 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415972109 513508485 /nfs/dbraw/zinc/50/84/85/513508485.db2.gz HHPIHHRBYMHRJO-HXUWFJFHSA-N 1 3 370.497 2.976 20 0 FFADHO NCc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000415972449 513510757 /nfs/dbraw/zinc/51/07/57/513510757.db2.gz OVENTTSUCXXSPW-ZFWWWQNUSA-N 1 3 356.392 2.912 20 0 FFADHO NCc1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000415972449 513510765 /nfs/dbraw/zinc/51/07/65/513510765.db2.gz OVENTTSUCXXSPW-ZFWWWQNUSA-N 1 3 356.392 2.912 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415992917 513524090 /nfs/dbraw/zinc/52/40/90/513524090.db2.gz IBJHINWJNFPJHO-INIZCTEOSA-N 1 3 372.435 2.538 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415996896 513528067 /nfs/dbraw/zinc/52/80/67/513528067.db2.gz QLVORNDZTLCDFQ-HUUCEWRRSA-N 1 3 360.424 2.648 20 0 FFADHO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000416001482 513531090 /nfs/dbraw/zinc/53/10/90/513531090.db2.gz ZEULPHSEPXBXPR-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000418525633 513543969 /nfs/dbraw/zinc/54/39/69/513543969.db2.gz YASOIAQCZQHPKN-SFHVURJKSA-N 1 3 358.530 2.540 20 0 FFADHO CC1(CNC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000418525703 513543992 /nfs/dbraw/zinc/54/39/92/513543992.db2.gz YHRVEDRMCITIEK-UHFFFAOYSA-N 1 3 372.557 2.726 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418536044 513547260 /nfs/dbraw/zinc/54/72/60/513547260.db2.gz ICJOYZBQNKVQRA-AEFFLSMTSA-N 1 3 352.910 2.632 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418540468 513548957 /nfs/dbraw/zinc/54/89/57/513548957.db2.gz MODYZWFOVSENBK-OAQYLSRUSA-N 1 3 360.546 2.582 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000416044128 513553814 /nfs/dbraw/zinc/55/38/14/513553814.db2.gz LTLHGUPXJIPYTJ-STQMWFEESA-N 1 3 366.815 2.522 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)N(C)C ZINC000416055388 513558517 /nfs/dbraw/zinc/55/85/17/513558517.db2.gz XFBKJHLCOUOGSX-YUELXQCFSA-N 1 3 360.424 2.565 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N(C)C ZINC000416054961 513558752 /nfs/dbraw/zinc/55/87/52/513558752.db2.gz XFBKJHLCOUOGSX-QEJZJMRPSA-N 1 3 360.424 2.565 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCC1 ZINC000416055905 513559068 /nfs/dbraw/zinc/55/90/68/513559068.db2.gz XQCUYIAFJJVMLK-OAHLLOKOSA-N 1 3 372.435 2.620 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCCCC1 ZINC000441400181 513560559 /nfs/dbraw/zinc/56/05/59/513560559.db2.gz WJBQIQDUPLGXDS-LNLFQRSKSA-N 1 3 350.551 2.811 20 0 FFADHO CN(CCCN(C)C(=O)NCc1ccc2c(c1)C[NH2+]C2)Cc1ccco1 ZINC000418578103 513564724 /nfs/dbraw/zinc/56/47/24/513564724.db2.gz IXIHSBDADSXBGJ-UHFFFAOYSA-N 1 3 356.470 2.546 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418578528 513565236 /nfs/dbraw/zinc/56/52/36/513565236.db2.gz QAYPAFONRKRCJJ-LFGUQSLTSA-N 1 3 358.530 2.679 20 0 FFADHO COc1ccc2oc(CN3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000435371212 513568144 /nfs/dbraw/zinc/56/81/44/513568144.db2.gz LXHXGDPMMNUHDP-HNAYVOBHSA-N 1 3 371.481 2.522 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418608915 513575127 /nfs/dbraw/zinc/57/51/27/513575127.db2.gz ZKEYEPUWWZCKHJ-WIYYLYMNSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000425463944 513580236 /nfs/dbraw/zinc/58/02/36/513580236.db2.gz JGKQBCFGWHXJIJ-YZGWKJHDSA-N 1 3 372.557 2.879 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000430221072 513591121 /nfs/dbraw/zinc/59/11/21/513591121.db2.gz BNUXGKXVUZPURS-FPOVZHCZSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416145977 513598266 /nfs/dbraw/zinc/59/82/66/513598266.db2.gz STCHYGSVPSYOKD-HXUWFJFHSA-N 1 3 369.509 2.936 20 0 FFADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418692329 513615069 /nfs/dbraw/zinc/61/50/69/513615069.db2.gz FOISGGBAVUIRMT-OLZOCXBDSA-N 1 3 360.424 2.514 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418710105 513619146 /nfs/dbraw/zinc/61/91/46/513619146.db2.gz DQJXJCNVCWRGOY-XKQJLSEDSA-N 1 3 352.910 2.759 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418774131 513651260 /nfs/dbraw/zinc/65/12/60/513651260.db2.gz RFPBMGVFLBVYSR-IFMALSPDSA-N 1 3 370.541 2.826 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448044710 513664233 /nfs/dbraw/zinc/66/42/33/513664233.db2.gz WLEZOLQPKHCJRQ-ROUUACIJSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448044710 513664239 /nfs/dbraw/zinc/66/42/39/513664239.db2.gz WLEZOLQPKHCJRQ-ROUUACIJSA-N 1 3 352.567 2.774 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)[C@@H]2C1 ZINC000425627749 513668580 /nfs/dbraw/zinc/66/85/80/513668580.db2.gz ASGFDWUKLXPJJU-XUVXKRRUSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)[C@@H]2C1 ZINC000425627749 513668587 /nfs/dbraw/zinc/66/85/87/513668587.db2.gz ASGFDWUKLXPJJU-XUVXKRRUSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)[C@@H]2C1 ZINC000425627746 513668812 /nfs/dbraw/zinc/66/88/12/513668812.db2.gz ASGFDWUKLXPJJU-SLFFLAALSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)[C@@H]2C1 ZINC000425627746 513668817 /nfs/dbraw/zinc/66/88/17/513668817.db2.gz ASGFDWUKLXPJJU-SLFFLAALSA-N 1 3 356.514 2.559 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC000425653503 513681058 /nfs/dbraw/zinc/68/10/58/513681058.db2.gz ZWVSMSCCMSSOGR-XUVXKRRUSA-N 1 3 358.530 2.805 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000425653503 513681065 /nfs/dbraw/zinc/68/10/65/513681065.db2.gz ZWVSMSCCMSSOGR-XUVXKRRUSA-N 1 3 358.530 2.805 20 0 FFADHO C[NH+](C)C1(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000416297684 513696633 /nfs/dbraw/zinc/69/66/33/513696633.db2.gz AXGGSZDUNPFCFH-GOSISDBHSA-N 1 3 369.431 2.651 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425694129 513705836 /nfs/dbraw/zinc/70/58/36/513705836.db2.gz VYXXBFDWAJXBII-MJUUVYJYSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425694129 513705846 /nfs/dbraw/zinc/70/58/46/513705846.db2.gz VYXXBFDWAJXBII-MJUUVYJYSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000448207819 513707647 /nfs/dbraw/zinc/70/76/47/513707647.db2.gz BGVDTMRQKONXLF-CEXWTWQISA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000448207819 513707652 /nfs/dbraw/zinc/70/76/52/513707652.db2.gz BGVDTMRQKONXLF-CEXWTWQISA-N 1 3 352.567 2.917 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000448255720 513720183 /nfs/dbraw/zinc/72/01/83/513720183.db2.gz KAZQMTSPXCCFRI-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(OCCN2CCCC2)cc1 ZINC000430704702 513728103 /nfs/dbraw/zinc/72/81/03/513728103.db2.gz JGYZPPYHIXBZDP-IHWFROFDSA-N 1 3 371.525 2.698 20 0 FFADHO CC[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000430761626 513743062 /nfs/dbraw/zinc/74/30/62/513743062.db2.gz KMPZABNLQGLCMQ-RTWAWAEBSA-N 1 3 351.494 2.682 20 0 FFADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C1(C)C ZINC000451494824 513787946 /nfs/dbraw/zinc/78/79/46/513787946.db2.gz JFSCQGIYGSSEMF-CEXWTWQISA-N 1 3 361.530 2.587 20 0 FFADHO C[C@@H](NCCSCCOc1cccc(Br)c1)C1C[NH2+]C1 ZINC000422719904 513912231 /nfs/dbraw/zinc/91/22/31/513912231.db2.gz ZFRNFDAHABBUFE-GFCCVEGCSA-N 1 3 359.333 2.759 20 0 FFADHO C[C@@H]([NH2+]CCSCCOc1cccc(Br)c1)C1CNC1 ZINC000422719904 513912237 /nfs/dbraw/zinc/91/22/37/513912237.db2.gz ZFRNFDAHABBUFE-GFCCVEGCSA-N 1 3 359.333 2.759 20 0 FFADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CC1(C)C ZINC000416701125 513915585 /nfs/dbraw/zinc/91/55/85/513915585.db2.gz YOFXDFHPGQHYOK-QZTJIDSGSA-N 1 3 350.551 2.669 20 0 FFADHO OC1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422741084 513919039 /nfs/dbraw/zinc/91/90/39/513919039.db2.gz NTKDOXIORFHAGX-YPAWHYETSA-N 1 3 357.542 2.654 20 0 FFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422748489 513920550 /nfs/dbraw/zinc/92/05/50/513920550.db2.gz USWDFRJDTSJREV-BURNTYAHSA-N 1 3 373.541 2.579 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1CN1CCOCC1 ZINC000422756904 513924371 /nfs/dbraw/zinc/92/43/71/513924371.db2.gz CPXDOFFKNVLWRO-PGRDOPGGSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000422756904 513924377 /nfs/dbraw/zinc/92/43/77/513924377.db2.gz CPXDOFFKNVLWRO-PGRDOPGGSA-N 1 3 353.510 2.567 20 0 FFADHO CCOc1cc(CCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000422762181 513925677 /nfs/dbraw/zinc/92/56/77/513925677.db2.gz RZTJVSGQVUQELO-IPMKNSEASA-N 1 3 362.514 2.773 20 0 FFADHO COc1cccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422768622 513927770 /nfs/dbraw/zinc/92/77/70/513927770.db2.gz UGUHBRFMNMTBKA-MBDNFAEBSA-N 1 3 373.541 2.579 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422797932 513935772 /nfs/dbraw/zinc/93/57/72/513935772.db2.gz PCVODDSSSNWGRS-USXIJHARSA-N 1 3 360.420 2.986 20 0 FFADHO [NH3+][C@H]1C[C@@H](NCCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422814464 513940714 /nfs/dbraw/zinc/94/07/14/513940714.db2.gz UYWNWNOCKRLQFU-FCHUYYIVSA-N 1 3 350.510 2.933 20 0 FFADHO N[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422814464 513940720 /nfs/dbraw/zinc/94/07/20/513940720.db2.gz UYWNWNOCKRLQFU-FCHUYYIVSA-N 1 3 350.510 2.933 20 0 FFADHO OC1CCN(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422832363 513946446 /nfs/dbraw/zinc/94/64/46/513946446.db2.gz FXDKTZHCQNDPBD-BHDDXSALSA-N 1 3 357.542 2.654 20 0 FFADHO [NH3+][C@H]1C[C@H](NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000422836684 513947750 /nfs/dbraw/zinc/94/77/50/513947750.db2.gz RSBWKAPDGUIRCU-GOTSBHOMSA-N 1 3 364.537 2.929 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422845760 513949887 /nfs/dbraw/zinc/94/98/87/513949887.db2.gz CTVBMOMMMRRIAU-PZJWPPBQSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(CN2CCOCC2)CCCCC1 ZINC000422845760 513949896 /nfs/dbraw/zinc/94/98/96/513949896.db2.gz CTVBMOMMMRRIAU-PZJWPPBQSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422856066 513953497 /nfs/dbraw/zinc/95/34/97/513953497.db2.gz FNEPBFCVXQQINZ-WTNAPCKOSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422856066 513953505 /nfs/dbraw/zinc/95/35/05/513953505.db2.gz FNEPBFCVXQQINZ-WTNAPCKOSA-N 1 3 357.542 2.918 20 0 FFADHO CC[C@H](NC1CCC(C(=O)N2CCSCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422876767 513959985 /nfs/dbraw/zinc/95/99/85/513959985.db2.gz GNFHKYMCTMDJEL-ZGUYJTEBSA-N 1 3 353.576 2.631 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000422883276 513963225 /nfs/dbraw/zinc/96/32/25/513963225.db2.gz QILREIVTLJKPNP-ZPMCFJSWSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000422883276 513963226 /nfs/dbraw/zinc/96/32/26/513963226.db2.gz QILREIVTLJKPNP-ZPMCFJSWSA-N 1 3 357.542 2.918 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416790355 513968893 /nfs/dbraw/zinc/96/88/93/513968893.db2.gz GIMWMJZLBBIUMI-HXUWFJFHSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422905321 513972254 /nfs/dbraw/zinc/97/22/54/513972254.db2.gz ZATVCTKFIBYDHV-KEYYUXOJSA-N 1 3 352.320 2.863 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416811070 513976941 /nfs/dbraw/zinc/97/69/41/513976941.db2.gz CIMFUHTWGFVVHA-GOSISDBHSA-N 1 3 362.518 2.649 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000416824208 513984193 /nfs/dbraw/zinc/98/41/93/513984193.db2.gz OYIDTHSQXHZZQH-QUCCMNQESA-N 1 3 374.529 2.664 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)c2cccs2)CC1 ZINC000416828496 513987653 /nfs/dbraw/zinc/98/76/53/513987653.db2.gz DWSOAQPLHRHQBQ-JKSUJKDBSA-N 1 3 350.532 2.558 20 0 FFADHO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@H]3CCC[C@H]3N)c2)cc1 ZINC000422959428 513991847 /nfs/dbraw/zinc/99/18/47/513991847.db2.gz RXMYZXZQHGWOSI-UXHICEINSA-N 1 3 369.465 2.796 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000416844130 513998857 /nfs/dbraw/zinc/99/88/57/513998857.db2.gz PNIAQVKCPCCJJZ-VQTJNVASSA-N 1 3 354.498 2.851 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)N(C)C)cc1 ZINC000416850484 514001663 /nfs/dbraw/zinc/00/16/63/514001663.db2.gz ZPEVHFOBVKNUHE-IBGZPJMESA-N 1 3 358.530 2.637 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422993149 514001908 /nfs/dbraw/zinc/00/19/08/514001908.db2.gz SLNIOAZQADXZRQ-YQQAZPJKSA-N 1 3 360.420 2.843 20 0 FFADHO Cc1cccc(C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CC2)c1 ZINC000414191227 514004878 /nfs/dbraw/zinc/00/48/78/514004878.db2.gz LFMXZRSROLSQCK-QFIPXVFZSA-N 1 3 371.569 2.702 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H](C)C1CCCCC1 ZINC000414197102 514007428 /nfs/dbraw/zinc/00/74/28/514007428.db2.gz PEQRRKDOLSZIJB-RTBURBONSA-N 1 3 351.579 2.978 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423073364 514029179 /nfs/dbraw/zinc/02/91/79/514029179.db2.gz REHZIIUZLGQNGI-AEIGPULVSA-N 1 3 358.313 2.914 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000414272173 514029752 /nfs/dbraw/zinc/02/97/52/514029752.db2.gz RNKANFGOOMEKOG-BDKRGJGYSA-N 1 3 359.558 2.843 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccc(F)cc2)[C@H](C)C1 ZINC000414295097 514037512 /nfs/dbraw/zinc/03/75/12/514037512.db2.gz QQVJWUMFUKINIQ-KPFFTGBYSA-N 1 3 352.494 2.628 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccc(F)cc2)[C@H](C)C1 ZINC000414295097 514037518 /nfs/dbraw/zinc/03/75/18/514037518.db2.gz QQVJWUMFUKINIQ-KPFFTGBYSA-N 1 3 352.494 2.628 20 0 FFADHO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414325336 514048384 /nfs/dbraw/zinc/04/83/84/514048384.db2.gz LWIBGDYJIVHWCG-HXUWFJFHSA-N 1 3 361.530 2.535 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC[C@H]2CN)cc1Br ZINC000423149843 514062061 /nfs/dbraw/zinc/06/20/61/514062061.db2.gz BAOXFXHCVKGYDA-ZOBUZTSGSA-N 1 3 355.320 2.626 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000423149843 514062064 /nfs/dbraw/zinc/06/20/64/514062064.db2.gz BAOXFXHCVKGYDA-ZOBUZTSGSA-N 1 3 355.320 2.626 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170355 514067295 /nfs/dbraw/zinc/06/72/95/514067295.db2.gz LRKRVOSXCDIYIP-SUYBPPKGSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170355 514067289 /nfs/dbraw/zinc/06/72/89/514067289.db2.gz LRKRVOSXCDIYIP-SUYBPPKGSA-N 1 3 373.310 2.717 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C(F)(F)F)C1 ZINC000432019537 514067749 /nfs/dbraw/zinc/06/77/49/514067749.db2.gz PUVUXUMWDYNHLP-TUVASFSCSA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C(F)(F)F)C1 ZINC000432019537 514067752 /nfs/dbraw/zinc/06/77/52/514067752.db2.gz PUVUXUMWDYNHLP-TUVASFSCSA-N 1 3 361.452 2.638 20 0 FFADHO COc1ccc([C@@H](NCCCN2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423177377 514068974 /nfs/dbraw/zinc/06/89/74/514068974.db2.gz DSWNONUNTTUNSZ-NRFANRHFSA-N 1 3 357.473 2.809 20 0 FFADHO [NH3+][C@H]1CCC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416970144 514075756 /nfs/dbraw/zinc/07/57/56/514075756.db2.gz DNNVZCLLPLVDAT-OALUTQOASA-N 1 3 358.530 2.510 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000416971405 514077305 /nfs/dbraw/zinc/07/73/05/514077305.db2.gz GTKPWKHTYNILHZ-PXNSSMCTSA-N 1 3 358.530 2.776 20 0 FFADHO CCCCCNC(=O)C1CC[NH+](C[C@H](CN)c2ccc(OC)cc2)CC1 ZINC000420295931 514078242 /nfs/dbraw/zinc/07/82/42/514078242.db2.gz BERGZEHXZZWYQC-IBGZPJMESA-N 1 3 361.530 2.756 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CCc3cc(OC)c(OC)cc3CC2)cc1 ZINC000420302941 514080261 /nfs/dbraw/zinc/08/02/61/514080261.db2.gz KBQDWGYZLURJTJ-LJQANCHMSA-N 1 3 370.493 2.856 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCc3cc(OC)c(OC)cc3CC2)cc1 ZINC000420302941 514080267 /nfs/dbraw/zinc/08/02/67/514080267.db2.gz KBQDWGYZLURJTJ-LJQANCHMSA-N 1 3 370.493 2.856 20 0 FFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000423223968 514083424 /nfs/dbraw/zinc/08/34/24/514083424.db2.gz BBDFRCBEHCRYOA-YLJYHZDGSA-N 1 3 357.546 2.946 20 0 FFADHO CCc1ccc([C@H]2CNCCN2C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420310201 514084404 /nfs/dbraw/zinc/08/44/04/514084404.db2.gz FWUOUYSHNUSGLQ-RBBKRZOGSA-N 1 3 353.510 2.946 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449133647 514086173 /nfs/dbraw/zinc/08/61/73/514086173.db2.gz ZFRMXJGHZWDTEL-AWEZNQCLSA-N 1 3 372.326 2.951 20 0 FFADHO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(OCCN(C)C)cc1 ZINC000423231761 514086475 /nfs/dbraw/zinc/08/64/75/514086475.db2.gz LQZGWHRZLAQHIN-QGZVFWFLSA-N 1 3 369.513 2.605 20 0 FFADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000449154931 514095842 /nfs/dbraw/zinc/09/58/42/514095842.db2.gz ACGAIZNXKFFYDV-ZDUSSCGKSA-N 1 3 357.420 2.736 20 0 FFADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000423290755 514101471 /nfs/dbraw/zinc/10/14/71/514101471.db2.gz FIDVUJQIQCPBLT-ORAYPTAESA-N 1 3 359.495 2.521 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417006619 514112046 /nfs/dbraw/zinc/11/20/46/514112046.db2.gz JVHZJWHVNYTODK-NVXWUHKLSA-N 1 3 352.548 2.820 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000417011989 514116449 /nfs/dbraw/zinc/11/64/49/514116449.db2.gz UTRGZFNKVKWURZ-SJORKVTESA-N 1 3 350.532 2.667 20 0 FFADHO CCCOc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423372939 514120371 /nfs/dbraw/zinc/12/03/71/514120371.db2.gz BQJXREXVPGZMET-WMLDXEAASA-N 1 3 359.436 2.962 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417015433 514121284 /nfs/dbraw/zinc/12/12/84/514121284.db2.gz MJOAQKJMHNJPIZ-RBBKRZOGSA-N 1 3 370.541 2.608 20 0 FFADHO CC[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)N1CCc2ccccc2C1 ZINC000417018232 514122372 /nfs/dbraw/zinc/12/23/72/514122372.db2.gz PRUKBZZJNZLLRE-OAQYLSRUSA-N 1 3 372.557 2.854 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000417021548 514125113 /nfs/dbraw/zinc/12/51/13/514125113.db2.gz GTEWNPUBINPQLP-FQEVSTJZSA-N 1 3 358.530 2.685 20 0 FFADHO CCCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000417027066 514128339 /nfs/dbraw/zinc/12/83/39/514128339.db2.gz ZNZLLJVWPJUFCD-UXHICEINSA-N 1 3 358.530 2.607 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000417031065 514130546 /nfs/dbraw/zinc/13/05/46/514130546.db2.gz QGPAZGPQMWIAHN-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(Cl)c1 ZINC000423446967 514143200 /nfs/dbraw/zinc/14/32/00/514143200.db2.gz CXUAEOPQDFLVND-ONUMYQOESA-N 1 3 353.869 2.777 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423532333 514164357 /nfs/dbraw/zinc/16/43/57/514164357.db2.gz VGGJOLPPDZZZAW-VQGSXZNQSA-N 1 3 367.335 2.777 20 0 FFADHO [NH3+][C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000417123292 514178905 /nfs/dbraw/zinc/17/89/05/514178905.db2.gz YORBODVYYCOSMV-VQTJNVASSA-N 1 3 352.482 2.650 20 0 FFADHO COCCOC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000449393347 514193032 /nfs/dbraw/zinc/19/30/32/514193032.db2.gz MQMQZAUJOPGDTC-ICSRJNTNSA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000449393347 514193038 /nfs/dbraw/zinc/19/30/38/514193038.db2.gz MQMQZAUJOPGDTC-ICSRJNTNSA-N 1 3 368.562 2.831 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000449397665 514196400 /nfs/dbraw/zinc/19/64/00/514196400.db2.gz RIMIUVKWBDNNGU-CWBXHPNXSA-N 1 3 371.569 2.724 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437658228 514205296 /nfs/dbraw/zinc/20/52/96/514205296.db2.gz NMAGUWMXKZROGI-HKUYNNGSSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437658228 514205306 /nfs/dbraw/zinc/20/53/06/514205306.db2.gz NMAGUWMXKZROGI-HKUYNNGSSA-N 1 3 350.551 2.815 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1(C)C ZINC000423737213 514213919 /nfs/dbraw/zinc/21/39/19/514213919.db2.gz DWNALCLQIXAHAM-RXVVDRJESA-N 1 3 361.530 2.629 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000414675968 514237337 /nfs/dbraw/zinc/23/73/37/514237337.db2.gz HAPMUVAVDLQGSO-HNNXBMFYSA-N 1 3 372.538 2.673 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000417218444 514239862 /nfs/dbraw/zinc/23/98/62/514239862.db2.gz STWYOYQANLUPOL-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]1C[C@H](CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)CC[NH2+]1 ZINC000414700361 514247811 /nfs/dbraw/zinc/24/78/11/514247811.db2.gz JQFGHYBRQNXXST-JKSUJKDBSA-N 1 3 350.576 2.946 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000414704908 514250288 /nfs/dbraw/zinc/25/02/88/514250288.db2.gz KBLRZCBULLTAON-CQSZACIVSA-N 1 3 369.431 2.872 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423852606 514262757 /nfs/dbraw/zinc/26/27/57/514262757.db2.gz SDIDIQVQLOFWGI-OXQOHEQNSA-N 1 3 352.482 2.813 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000423853110 514264224 /nfs/dbraw/zinc/26/42/24/514264224.db2.gz SMKFBWNEXQOPFR-DYESRHJHSA-N 1 3 367.493 2.727 20 0 FFADHO [NH3+]C[C@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC12CCOCC2 ZINC000414774702 514285612 /nfs/dbraw/zinc/28/56/12/514285612.db2.gz FTMGLSOXCYIZLZ-INIZCTEOSA-N 1 3 360.889 2.917 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000420770307 514287305 /nfs/dbraw/zinc/28/73/05/514287305.db2.gz ZCLMJOAYHUCTMC-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000420770307 514287312 /nfs/dbraw/zinc/28/73/12/514287312.db2.gz ZCLMJOAYHUCTMC-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccccc1OCCN(C)C ZINC000452341722 514293941 /nfs/dbraw/zinc/29/39/41/514293941.db2.gz DQHVYVWZOWVFCA-SFHVURJKSA-N 1 3 361.530 2.867 20 0 FFADHO COc1ccc(C[C@@H](C)C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1F ZINC000414787226 514294048 /nfs/dbraw/zinc/29/40/48/514294048.db2.gz VNYCNEVNFZORJS-NVXWUHKLSA-N 1 3 350.478 2.700 20 0 FFADHO COc1ccc(C[C@@H](C)C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1F ZINC000414787226 514294054 /nfs/dbraw/zinc/29/40/54/514294054.db2.gz VNYCNEVNFZORJS-NVXWUHKLSA-N 1 3 350.478 2.700 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000423938419 514296801 /nfs/dbraw/zinc/29/68/01/514296801.db2.gz JDOXSALWFLMLEO-IBGZPJMESA-N 1 3 355.482 2.619 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414817207 514307474 /nfs/dbraw/zinc/30/74/74/514307474.db2.gz AFRKYDULGGNHSP-IXDOHACOSA-N 1 3 357.498 2.819 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000417357757 514309138 /nfs/dbraw/zinc/30/91/38/514309138.db2.gz SASFNBFNIOFSLY-ICSRJNTNSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H]1NCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@@H]1C ZINC000417359731 514310804 /nfs/dbraw/zinc/31/08/04/514310804.db2.gz JFQYXECOBPZUCR-QZTJIDSGSA-N 1 3 358.530 2.954 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417367744 514315965 /nfs/dbraw/zinc/31/59/65/514315965.db2.gz PFMXWZFNIZZMKZ-SJORKVTESA-N 1 3 364.559 2.649 20 0 FFADHO CN(CC1CCN(C)CC1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438161320 514322251 /nfs/dbraw/zinc/32/22/51/514322251.db2.gz QKDPEDPGFHTBMQ-LJQANCHMSA-N 1 3 350.551 2.767 20 0 FFADHO CN(CC1CCN(C)CC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438161320 514322256 /nfs/dbraw/zinc/32/22/56/514322256.db2.gz QKDPEDPGFHTBMQ-LJQANCHMSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414857877 514327360 /nfs/dbraw/zinc/32/73/60/514327360.db2.gz QKGZGQBEKMHPFV-VYDXJSESSA-N 1 3 372.513 2.730 20 0 FFADHO CC1(C)CCC[N@H+](CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000444888441 514361173 /nfs/dbraw/zinc/36/11/73/514361173.db2.gz QBSCWHIMJVJZRL-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CC1(C)CCC[N@@H+](CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000444888441 514361178 /nfs/dbraw/zinc/36/11/78/514361178.db2.gz QBSCWHIMJVJZRL-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO COC[C@]1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000414946222 514368969 /nfs/dbraw/zinc/36/89/69/514368969.db2.gz SBVYGDVOPHTBND-LJQANCHMSA-N 1 3 351.922 2.663 20 0 FFADHO COC[C@]1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCCN1 ZINC000414946222 514368978 /nfs/dbraw/zinc/36/89/78/514368978.db2.gz SBVYGDVOPHTBND-LJQANCHMSA-N 1 3 351.922 2.663 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000420911135 514370893 /nfs/dbraw/zinc/37/08/93/514370893.db2.gz YBJXANBCWXTYRA-UHFFFAOYSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417534000 514396319 /nfs/dbraw/zinc/39/63/19/514396319.db2.gz NKJZBFYEFXSJRQ-HCXYKTFWSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N(C)Cc1ccccc1 ZINC000417563847 514409348 /nfs/dbraw/zinc/40/93/48/514409348.db2.gz DTHZUWLRWQGBQR-FXAWDEMLSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415063442 514422943 /nfs/dbraw/zinc/42/29/43/514422943.db2.gz IAXBXWIPHWYZQF-AUUYWEPGSA-N 1 3 372.513 2.859 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415069278 514427938 /nfs/dbraw/zinc/42/79/38/514427938.db2.gz OSOQWQCYROHHPA-LJQANCHMSA-N 1 3 374.554 2.636 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cc(F)c(Cl)cc1Cl ZINC000415098171 514442689 /nfs/dbraw/zinc/44/26/89/514442689.db2.gz DYZBXPZARLKKLU-GHMZBOCLSA-N 1 3 362.276 2.980 20 0 FFADHO O=C1N[C@H]2CN(Cc3cccc4ccccc43)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134803 514461484 /nfs/dbraw/zinc/46/14/84/514461484.db2.gz FAOIQVFQKRXBDD-SFTDATJTSA-N 1 3 364.493 2.560 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450027308 514471447 /nfs/dbraw/zinc/47/14/47/514471447.db2.gz NXDGIGPOEKVVLE-WOJBJXKFSA-N 1 3 365.562 2.743 20 0 FFADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433499830 514505081 /nfs/dbraw/zinc/50/50/81/514505081.db2.gz UIPCFJRLYLANML-DOMZBBRYSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433499830 514505085 /nfs/dbraw/zinc/50/50/85/514505085.db2.gz UIPCFJRLYLANML-DOMZBBRYSA-N 1 3 354.292 2.979 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)N(C)C)cc1 ZINC000433600764 514526908 /nfs/dbraw/zinc/52/69/08/514526908.db2.gz UDQWEXYOWWTDDD-PMACEKPBSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)N(C)C)cc1 ZINC000433600764 514526917 /nfs/dbraw/zinc/52/69/17/514526917.db2.gz UDQWEXYOWWTDDD-PMACEKPBSA-N 1 3 358.530 2.914 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)CO2 ZINC000453058506 514531842 /nfs/dbraw/zinc/53/18/42/514531842.db2.gz HIOGXJCADLQUSK-SFHVURJKSA-N 1 3 356.466 2.729 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)N(C)C)cc1 ZINC000458058445 514549253 /nfs/dbraw/zinc/54/92/53/514549253.db2.gz ZPCDZYLJKGKIGQ-CTNGQTDRSA-N 1 3 358.530 2.725 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)N(C)C)cc1 ZINC000458058445 514549256 /nfs/dbraw/zinc/54/92/56/514549256.db2.gz ZPCDZYLJKGKIGQ-CTNGQTDRSA-N 1 3 358.530 2.725 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)N(C)C)cc1 ZINC000466144910 514565648 /nfs/dbraw/zinc/56/56/48/514565648.db2.gz OPUDAUIYYIJLPM-YSSFQJQWSA-N 1 3 358.530 2.634 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)N(C)C)cc1 ZINC000466144910 514565654 /nfs/dbraw/zinc/56/56/54/514565654.db2.gz OPUDAUIYYIJLPM-YSSFQJQWSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CN1Cc1ccccc1 ZINC000455517400 514569183 /nfs/dbraw/zinc/56/91/83/514569183.db2.gz AVMMMHGFZIWTBQ-XLIONFOSSA-N 1 3 370.541 2.966 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NCC3(N4CCOCC4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000453210085 514571263 /nfs/dbraw/zinc/57/12/63/514571263.db2.gz LUFGGUKEHZJGGT-BHIFYINESA-N 1 3 369.553 2.884 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NCC3(N4CCOCC4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000453210085 514571268 /nfs/dbraw/zinc/57/12/68/514571268.db2.gz LUFGGUKEHZJGGT-BHIFYINESA-N 1 3 369.553 2.884 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000479453829 514589651 /nfs/dbraw/zinc/58/96/51/514589651.db2.gz NKDMNPQQZKNKFR-OAQYLSRUSA-N 1 3 353.510 2.522 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000458157087 514590091 /nfs/dbraw/zinc/59/00/91/514590091.db2.gz CEPPCFXSMDMTRO-IEBWSBKVSA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000458157087 514590098 /nfs/dbraw/zinc/59/00/98/514590098.db2.gz CEPPCFXSMDMTRO-IEBWSBKVSA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000470744556 514590362 /nfs/dbraw/zinc/59/03/62/514590362.db2.gz HJBYQPXYOAXQTE-RTWAWAEBSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000470744556 514590370 /nfs/dbraw/zinc/59/03/70/514590370.db2.gz HJBYQPXYOAXQTE-RTWAWAEBSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470810368 514619764 /nfs/dbraw/zinc/61/97/64/514619764.db2.gz ISOFJGZCCSEVGO-BBWFWOEESA-N 1 3 354.539 2.862 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470810368 514619767 /nfs/dbraw/zinc/61/97/67/514619767.db2.gz ISOFJGZCCSEVGO-BBWFWOEESA-N 1 3 354.539 2.862 20 0 FFADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C(=O)NCCN(C)C ZINC000502365335 514626723 /nfs/dbraw/zinc/62/67/23/514626723.db2.gz KFSKUSAGXLEZII-SXLOBPIMSA-N 1 3 360.546 2.790 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN1Cc1ccccc1 ZINC000497855187 514661869 /nfs/dbraw/zinc/66/18/69/514661869.db2.gz ZYCYBQAFLCGDFW-LMNJBCLMSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCN1Cc1ccccc1 ZINC000497855187 514661879 /nfs/dbraw/zinc/66/18/79/514661879.db2.gz ZYCYBQAFLCGDFW-LMNJBCLMSA-N 1 3 370.541 2.966 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000466519741 514671566 /nfs/dbraw/zinc/67/15/66/514671566.db2.gz AUMKNGGQADTFBE-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)N(C)C)cc1 ZINC000458302370 514697630 /nfs/dbraw/zinc/69/76/30/514697630.db2.gz YQLCTLQSRWPRJB-KBXCAEBGSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000458302370 514697641 /nfs/dbraw/zinc/69/76/41/514697641.db2.gz YQLCTLQSRWPRJB-KBXCAEBGSA-N 1 3 364.559 2.793 20 0 FFADHO Cc1ccc([C@H]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)c(C)c1 ZINC000470990604 514710519 /nfs/dbraw/zinc/71/05/19/514710519.db2.gz ATRBQHZWLGBHJV-SFHVURJKSA-N 1 3 355.526 2.836 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489133645 514723955 /nfs/dbraw/zinc/72/39/55/514723955.db2.gz GUTFRXRFSQAFAZ-BJLQDIEVSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489133645 514723966 /nfs/dbraw/zinc/72/39/66/514723966.db2.gz GUTFRXRFSQAFAZ-BJLQDIEVSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458359526 514731498 /nfs/dbraw/zinc/73/14/98/514731498.db2.gz ONHBMGIMHQFCRM-AZUAARDMSA-N 1 3 350.551 2.768 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458359526 514731506 /nfs/dbraw/zinc/73/15/06/514731506.db2.gz ONHBMGIMHQFCRM-AZUAARDMSA-N 1 3 350.551 2.768 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000458399466 514765291 /nfs/dbraw/zinc/76/52/91/514765291.db2.gz GIKNVDUIBUHFDH-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000458399466 514765299 /nfs/dbraw/zinc/76/52/99/514765299.db2.gz GIKNVDUIBUHFDH-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCCO1 ZINC000455844966 514776699 /nfs/dbraw/zinc/77/66/99/514776699.db2.gz HOJBUIHIECTXCT-JXFKEZNVSA-N 1 3 374.529 2.858 20 0 FFADHO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@H](N)CC(F)F ZINC000498202559 514802212 /nfs/dbraw/zinc/80/22/12/514802212.db2.gz VDDFSTQPNGXSTB-CVEARBPZSA-N 1 3 353.457 2.558 20 0 FFADHO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H](N)CC(F)F ZINC000498202559 514802224 /nfs/dbraw/zinc/80/22/24/514802224.db2.gz VDDFSTQPNGXSTB-CVEARBPZSA-N 1 3 353.457 2.558 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000466922950 514826860 /nfs/dbraw/zinc/82/68/60/514826860.db2.gz GSSCHVGGPBFSAP-MLYOOKFZSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000466922950 514826872 /nfs/dbraw/zinc/82/68/72/514826872.db2.gz GSSCHVGGPBFSAP-MLYOOKFZSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000466923912 514829722 /nfs/dbraw/zinc/82/97/22/514829722.db2.gz NIKZXJLDLBOPFQ-BJLQDIEVSA-N 1 3 362.562 2.623 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000462016913 514832182 /nfs/dbraw/zinc/83/21/82/514832182.db2.gz VRZSCHYEIBFAKN-HNNXBMFYSA-N 1 3 370.488 2.767 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000462016913 514832193 /nfs/dbraw/zinc/83/21/93/514832193.db2.gz VRZSCHYEIBFAKN-HNNXBMFYSA-N 1 3 370.488 2.767 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)c1ccsc1 ZINC000502917363 514842474 /nfs/dbraw/zinc/84/24/74/514842474.db2.gz JASUFPWIHYRAPA-NVXWUHKLSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccsc1 ZINC000502917363 514842480 /nfs/dbraw/zinc/84/24/80/514842480.db2.gz JASUFPWIHYRAPA-NVXWUHKLSA-N 1 3 352.548 2.867 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000471343792 514843554 /nfs/dbraw/zinc/84/35/54/514843554.db2.gz PSXQRPUCNMKJFK-GOSISDBHSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000502948741 514854055 /nfs/dbraw/zinc/85/40/55/514854055.db2.gz DOQPXQCSBTVDAX-SFHVURJKSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000458576506 514917097 /nfs/dbraw/zinc/91/70/97/514917097.db2.gz DMPHVBVFJNCXHV-FYZZASKESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000458576506 514917108 /nfs/dbraw/zinc/91/71/08/514917108.db2.gz DMPHVBVFJNCXHV-FYZZASKESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508902338 514948540 /nfs/dbraw/zinc/94/85/40/514948540.db2.gz CWJMWZBKGFTREL-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508908768 514951309 /nfs/dbraw/zinc/95/13/09/514951309.db2.gz TWRWEYUJWDABBN-XLIONFOSSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000458640528 514981308 /nfs/dbraw/zinc/98/13/08/514981308.db2.gz VPDBKBKOFQAVFL-LNLFQRSKSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000458640528 514981316 /nfs/dbraw/zinc/98/13/16/514981316.db2.gz VPDBKBKOFQAVFL-LNLFQRSKSA-N 1 3 350.551 2.764 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000458653448 514990514 /nfs/dbraw/zinc/99/05/14/514990514.db2.gz CRAOTDGLVCKTPC-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000458653448 514990528 /nfs/dbraw/zinc/99/05/28/514990528.db2.gz CRAOTDGLVCKTPC-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498646239 515009296 /nfs/dbraw/zinc/00/92/96/515009296.db2.gz YKMJFNFPJVMSEN-QAPCUYQASA-N 1 3 371.447 2.897 20 0 FFADHO NC(=O)c1cccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471858817 515033571 /nfs/dbraw/zinc/03/35/71/515033571.db2.gz UJAYZXWGSHVMKA-SFTDATJTSA-N 1 3 351.494 2.958 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)Cc1ccccc1 ZINC000485459948 515049733 /nfs/dbraw/zinc/04/97/33/515049733.db2.gz BMHDSDCMIGNKSZ-NRFANRHFSA-N 1 3 372.557 2.819 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000503501672 515056966 /nfs/dbraw/zinc/05/69/66/515056966.db2.gz GWGSLFOPWRJWBM-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000503552315 515080947 /nfs/dbraw/zinc/08/09/47/515080947.db2.gz RJKPSBMDKITCNQ-CRAIPNDOSA-N 1 3 362.518 2.882 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000490189156 515135038 /nfs/dbraw/zinc/13/50/38/515135038.db2.gz VOTFZOSXBKHRHJ-BBTUJRGHSA-N 1 3 372.557 2.662 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000467870006 515151438 /nfs/dbraw/zinc/15/14/38/515151438.db2.gz ZQRZQXBMGYOQPB-DZGCQCFKSA-N 1 3 368.319 2.687 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000476797790 515198756 /nfs/dbraw/zinc/19/87/56/515198756.db2.gz ZXAPYDZLCLLEHX-YLJYHZDGSA-N 1 3 358.530 2.994 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499197512 515234906 /nfs/dbraw/zinc/23/49/06/515234906.db2.gz TXIAORPPKKRTEI-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499197512 515234913 /nfs/dbraw/zinc/23/49/13/515234913.db2.gz TXIAORPPKKRTEI-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccco1 ZINC000509582927 515243384 /nfs/dbraw/zinc/24/33/84/515243384.db2.gz IUTQHJVTNHWCCA-DLBZAZTESA-N 1 3 350.507 2.836 20 0 FFADHO C[NH+](C)CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCC1 ZINC000468327076 515312770 /nfs/dbraw/zinc/31/27/70/515312770.db2.gz DDJVCVOEVJEOFU-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)C1 ZINC000490831913 515313827 /nfs/dbraw/zinc/31/38/27/515313827.db2.gz XGWQEHCXXLVPJC-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)C1 ZINC000490831913 515313838 /nfs/dbraw/zinc/31/38/38/515313838.db2.gz XGWQEHCXXLVPJC-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[N@H+](C)C2CC2)c2cccs2)CC1 ZINC000490891654 515327142 /nfs/dbraw/zinc/32/71/42/515327142.db2.gz WEICONJKUYKKTD-QGZVFWFLSA-N 1 3 364.559 2.915 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[N@@H+](C)C2CC2)c2cccs2)CC1 ZINC000490891654 515327147 /nfs/dbraw/zinc/32/71/47/515327147.db2.gz WEICONJKUYKKTD-QGZVFWFLSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000463046612 515348174 /nfs/dbraw/zinc/34/81/74/515348174.db2.gz AKFOMRNNAAWSTJ-CRAIPNDOSA-N 1 3 356.470 2.876 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000463046612 515348179 /nfs/dbraw/zinc/34/81/79/515348179.db2.gz AKFOMRNNAAWSTJ-CRAIPNDOSA-N 1 3 356.470 2.876 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000454277885 515361475 /nfs/dbraw/zinc/36/14/75/515361475.db2.gz ZLVNTTXCEQQYJM-JRGCBEDISA-N 1 3 370.541 2.764 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000454277885 515361483 /nfs/dbraw/zinc/36/14/83/515361483.db2.gz ZLVNTTXCEQQYJM-JRGCBEDISA-N 1 3 370.541 2.764 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000468478581 515379405 /nfs/dbraw/zinc/37/94/05/515379405.db2.gz KUSJTLSCAXIVJC-LMMKCTJWSA-N 1 3 371.525 2.964 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000459187378 515385157 /nfs/dbraw/zinc/38/51/57/515385157.db2.gz KUFLDHFTGKXRHI-RBUKOAKNSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000459187378 515385169 /nfs/dbraw/zinc/38/51/69/515385169.db2.gz KUFLDHFTGKXRHI-RBUKOAKNSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000472762432 515386182 /nfs/dbraw/zinc/38/61/82/515386182.db2.gz LVIAGMMMHPXBIF-LJQANCHMSA-N 1 3 362.518 2.713 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]CC[C@@H](OC)C(F)(F)F)CC1 ZINC000468606887 515433256 /nfs/dbraw/zinc/43/32/56/515433256.db2.gz HPYCKAXLELEJCJ-QGZVFWFLSA-N 1 3 359.436 2.886 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000468639184 515448856 /nfs/dbraw/zinc/44/88/56/515448856.db2.gz DYRGHHBLUMTTON-UHFFFAOYSA-N 1 3 365.562 2.602 20 0 FFADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473026641 515483655 /nfs/dbraw/zinc/48/36/55/515483655.db2.gz YBEXIRQLYBRQLJ-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473026641 515483661 /nfs/dbraw/zinc/48/36/61/515483661.db2.gz YBEXIRQLYBRQLJ-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)CC2CCN(C)CC2)CCOCC1)c1ccccc1 ZINC000486500075 515513015 /nfs/dbraw/zinc/51/30/15/515513015.db2.gz LYQYHMDAXGKISK-SFHVURJKSA-N 1 3 373.541 2.735 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000463481607 515518747 /nfs/dbraw/zinc/51/87/47/515518747.db2.gz FNVQIGCVLZBASR-UHFFFAOYSA-N 1 3 361.530 2.585 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000454483603 515522689 /nfs/dbraw/zinc/52/26/89/515522689.db2.gz QNIJXXFXTFFXDB-FQEVSTJZSA-N 1 3 360.502 2.577 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000454483603 515522697 /nfs/dbraw/zinc/52/26/97/515522697.db2.gz QNIJXXFXTFFXDB-FQEVSTJZSA-N 1 3 360.502 2.577 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000486577582 515546488 /nfs/dbraw/zinc/54/64/88/515546488.db2.gz ARJDTISYARRADM-KAGYGMCKSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000486577582 515546497 /nfs/dbraw/zinc/54/64/97/515546497.db2.gz ARJDTISYARRADM-KAGYGMCKSA-N 1 3 355.526 2.699 20 0 FFADHO C[NH+](C)[C@H]1CCN(c2ccc(NC3CCN(c4ccncc4)CC3)nc2)C1 ZINC000459458759 515566967 /nfs/dbraw/zinc/56/69/67/515566967.db2.gz YXSQYRBHMKSZLD-FQEVSTJZSA-N 1 3 366.513 2.698 20 0 FFADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1=CC[N@H+](C)CC1 ZINC000510548133 515580573 /nfs/dbraw/zinc/58/05/73/515580573.db2.gz PZOXBMMZLXWZIF-DOTOQJQBSA-N 1 3 362.543 2.835 20 0 FFADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000510548133 515580581 /nfs/dbraw/zinc/58/05/81/515580581.db2.gz PZOXBMMZLXWZIF-DOTOQJQBSA-N 1 3 362.543 2.835 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(CC)C2CCCCC2)[C@H](C)C1 ZINC000482156707 515591384 /nfs/dbraw/zinc/59/13/84/515591384.db2.gz LZWUYKYJVVGSSJ-UYAOXDASSA-N 1 3 367.578 2.894 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(CC)C2CCCCC2)[C@@H](C)C1 ZINC000482156702 515592419 /nfs/dbraw/zinc/59/24/19/515592419.db2.gz LZWUYKYJVVGSSJ-AZUAARDMSA-N 1 3 367.578 2.894 20 0 FFADHO COc1ccc(Cn2nc(C)c(CNCC3=CC[N@H+](C)CC3)c2C)cc1 ZINC000463741063 515596306 /nfs/dbraw/zinc/59/63/06/515596306.db2.gz XRCUSSSPSAZFKR-UHFFFAOYSA-N 1 3 354.498 2.908 20 0 FFADHO COc1ccc(Cn2nc(C)c(CNCC3=CC[N@@H+](C)CC3)c2C)cc1 ZINC000463741063 515596318 /nfs/dbraw/zinc/59/63/18/515596318.db2.gz XRCUSSSPSAZFKR-UHFFFAOYSA-N 1 3 354.498 2.908 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000486723039 515609174 /nfs/dbraw/zinc/60/91/74/515609174.db2.gz PCTUKLRQELXYSD-UHFFFAOYSA-N 1 3 368.456 2.888 20 0 FFADHO C[C@@H]1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CC(=O)N1Cc1ccccc1 ZINC000459519607 515613272 /nfs/dbraw/zinc/61/32/72/515613272.db2.gz CWTBGNFRUYGAKJ-DYESRHJHSA-N 1 3 364.493 2.830 20 0 FFADHO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000486741753 515615036 /nfs/dbraw/zinc/61/50/36/515615036.db2.gz MBNNOBXNQMKSIY-GHTZIAJQSA-N 1 3 369.513 2.741 20 0 FFADHO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000486741753 515615047 /nfs/dbraw/zinc/61/50/47/515615047.db2.gz MBNNOBXNQMKSIY-GHTZIAJQSA-N 1 3 369.513 2.741 20 0 FFADHO Cn1c2ccc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)cc2oc1=O ZINC000510674089 515631524 /nfs/dbraw/zinc/63/15/24/515631524.db2.gz HCGCFTWHQFNRQE-IBGZPJMESA-N 1 3 365.477 2.786 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000510678152 515633558 /nfs/dbraw/zinc/63/35/58/515633558.db2.gz BECQLTQUIKGVEM-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000469029700 515636582 /nfs/dbraw/zinc/63/65/82/515636582.db2.gz SSWDEBIFBXIINQ-CMKODMSKSA-N 1 3 358.530 2.767 20 0 FFADHO O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000493541079 515643022 /nfs/dbraw/zinc/64/30/22/515643022.db2.gz DHOOQZBFUMWPST-NQIIRXRSSA-N 1 3 355.526 2.730 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000505726105 515646083 /nfs/dbraw/zinc/64/60/83/515646083.db2.gz PCSCIZAGBLWRQE-XUVXKRRUSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000505726105 515646090 /nfs/dbraw/zinc/64/60/90/515646090.db2.gz PCSCIZAGBLWRQE-XUVXKRRUSA-N 1 3 356.514 2.750 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000505760516 515660023 /nfs/dbraw/zinc/66/00/23/515660023.db2.gz TVDXKKFUEGSABS-AABGKKOBSA-N 1 3 361.505 2.804 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000505760516 515660033 /nfs/dbraw/zinc/66/00/33/515660033.db2.gz TVDXKKFUEGSABS-AABGKKOBSA-N 1 3 361.505 2.804 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC(F)F)cc1 ZINC000505807004 515680727 /nfs/dbraw/zinc/68/07/27/515680727.db2.gz NWYLPHGTBDVRCY-INIZCTEOSA-N 1 3 369.456 2.776 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC(F)F)cc1 ZINC000505807004 515680730 /nfs/dbraw/zinc/68/07/30/515680730.db2.gz NWYLPHGTBDVRCY-INIZCTEOSA-N 1 3 369.456 2.776 20 0 FFADHO Cn1nccc1-c1ccccc1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000510844715 515686521 /nfs/dbraw/zinc/68/65/21/515686521.db2.gz IGBUFKJXGIIDKL-UHFFFAOYSA-N 1 3 354.498 2.822 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Br)cs1 ZINC000493974417 515702273 /nfs/dbraw/zinc/70/22/73/515702273.db2.gz BFSPJWTYZRPMIM-NEPJUHHUSA-N 1 3 374.348 2.749 20 0 FFADHO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000500422988 515703451 /nfs/dbraw/zinc/70/34/51/515703451.db2.gz JZQQLJSPEYENTL-FUHIMQAGSA-N 1 3 359.514 2.821 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000482544099 515714633 /nfs/dbraw/zinc/71/46/33/515714633.db2.gz QUDTWGNMOLDTBZ-DZGCQCFKSA-N 1 3 373.419 2.823 20 0 FFADHO CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482570340 515723067 /nfs/dbraw/zinc/72/30/67/515723067.db2.gz VMBKYLSBWPVQEG-IEBWSBKVSA-N 1 3 361.530 2.959 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000454816295 515762925 /nfs/dbraw/zinc/76/29/25/515762925.db2.gz ATJKJIAOIUOEKW-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCN(C)C1CC1 ZINC000473962620 515822930 /nfs/dbraw/zinc/82/29/30/515822930.db2.gz YQJNRKNOOKZNPH-IRXDYDNUSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C ZINC000506243355 515824843 /nfs/dbraw/zinc/82/48/43/515824843.db2.gz KLOCMZSCXNRZCH-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000457369185 515832282 /nfs/dbraw/zinc/83/22/82/515832282.db2.gz BXNJSIXYPBMVCI-IBGZPJMESA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(F)c(F)cc1F ZINC000487357753 515837901 /nfs/dbraw/zinc/83/79/01/515837901.db2.gz TYZJZPFEQRGEBL-OAHLLOKOSA-N 1 3 371.447 2.521 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(F)c(F)cc1F ZINC000487357753 515837910 /nfs/dbraw/zinc/83/79/10/515837910.db2.gz TYZJZPFEQRGEBL-OAHLLOKOSA-N 1 3 371.447 2.521 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000511291587 515854441 /nfs/dbraw/zinc/85/44/41/515854441.db2.gz VLHPHEMBQDVUBP-WDSOQIARSA-N 1 3 350.551 2.837 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)N(C)C)cc1 ZINC000487547095 515901387 /nfs/dbraw/zinc/90/13/87/515901387.db2.gz ZPJBLRFZHRORBG-FPOVZHCZSA-N 1 3 358.530 2.589 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)N(C)C)cc1 ZINC000487547095 515901389 /nfs/dbraw/zinc/90/13/89/515901389.db2.gz ZPJBLRFZHRORBG-FPOVZHCZSA-N 1 3 358.530 2.589 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000457480083 515904274 /nfs/dbraw/zinc/90/42/74/515904274.db2.gz NCHYLURCCUXEQH-AZUAARDMSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000457480083 515904287 /nfs/dbraw/zinc/90/42/87/515904287.db2.gz NCHYLURCCUXEQH-AZUAARDMSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501024926 515941238 /nfs/dbraw/zinc/94/12/38/515941238.db2.gz OWYOLENVMXMBDF-FXAWDEMLSA-N 1 3 358.530 2.925 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCN(C2CC2)C1 ZINC000457532387 515947380 /nfs/dbraw/zinc/94/73/80/515947380.db2.gz HWKJVTGGYCYXKG-SFHVURJKSA-N 1 3 370.541 2.908 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)CC2CCCCC2)[C@@H](C)C1 ZINC000469788713 515966571 /nfs/dbraw/zinc/96/65/71/515966571.db2.gz VWSJCQJCDQXYEA-ICSRJNTNSA-N 1 3 367.578 2.752 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474293511 515976348 /nfs/dbraw/zinc/97/63/48/515976348.db2.gz MAOSYFIQJWFWTD-UHFFFAOYSA-N 1 3 363.505 2.553 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@@H](C)C1 ZINC000487818524 515991624 /nfs/dbraw/zinc/99/16/24/515991624.db2.gz JCKFGWDIONOSLO-ZWOKBUDYSA-N 1 3 358.530 2.620 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000494907337 516004098 /nfs/dbraw/zinc/00/40/98/516004098.db2.gz GWYUAVGBGSFTRA-LJQANCHMSA-N 1 3 359.514 2.554 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000501223868 516021561 /nfs/dbraw/zinc/02/15/61/516021561.db2.gz XIVHEMYHBMXQEK-FQEVSTJZSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)N1CCc2ccccc2C1 ZINC000501328278 516065604 /nfs/dbraw/zinc/06/56/04/516065604.db2.gz CXQDNOZVUXDNAS-WIYYLYMNSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)N1CCc2ccccc2C1 ZINC000501328278 516065611 /nfs/dbraw/zinc/06/56/11/516065611.db2.gz CXQDNOZVUXDNAS-WIYYLYMNSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000457704325 516080797 /nfs/dbraw/zinc/08/07/97/516080797.db2.gz XSIMQBVRXNJYSA-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000457704325 516080808 /nfs/dbraw/zinc/08/08/08/516080808.db2.gz XSIMQBVRXNJYSA-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO CN(C(=O)[C@H](C[NH3+])c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000479190426 516099335 /nfs/dbraw/zinc/09/93/35/516099335.db2.gz RGIFXLXVWVISBQ-OAQYLSRUSA-N 1 3 369.484 2.991 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000460364450 516133739 /nfs/dbraw/zinc/13/37/39/516133739.db2.gz MBNQFEXABGQWNF-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474646852 516137739 /nfs/dbraw/zinc/13/77/39/516137739.db2.gz XQNOEZFQQAVSRN-GHOZHQTGSA-N 1 3 370.541 2.823 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000465423681 516146203 /nfs/dbraw/zinc/14/62/03/516146203.db2.gz NOPYOHXAIGABSM-VQTJNVASSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000465423681 516146211 /nfs/dbraw/zinc/14/62/11/516146211.db2.gz NOPYOHXAIGABSM-VQTJNVASSA-N 1 3 360.546 2.675 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)CC1 ZINC000470149984 516147793 /nfs/dbraw/zinc/14/77/93/516147793.db2.gz VMZHTRYPYYLZBG-IEBWSBKVSA-N 1 3 359.514 2.602 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)CC1 ZINC000470149984 516147801 /nfs/dbraw/zinc/14/78/01/516147801.db2.gz VMZHTRYPYYLZBG-IEBWSBKVSA-N 1 3 359.514 2.602 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000501573865 516157970 /nfs/dbraw/zinc/15/79/70/516157970.db2.gz KILXZIUETOGFGC-YLJYHZDGSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000501573865 516157980 /nfs/dbraw/zinc/15/79/80/516157980.db2.gz KILXZIUETOGFGC-YLJYHZDGSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000501573860 516158727 /nfs/dbraw/zinc/15/87/27/516158727.db2.gz KILXZIUETOGFGC-FXAWDEMLSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000501573860 516158733 /nfs/dbraw/zinc/15/87/33/516158733.db2.gz KILXZIUETOGFGC-FXAWDEMLSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000507335926 516176993 /nfs/dbraw/zinc/17/69/93/516176993.db2.gz YHCBLMVRHVANEO-XLIONFOSSA-N 1 3 358.530 2.805 20 0 FFADHO Cc1nc2ccccn2c1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512186631 516188919 /nfs/dbraw/zinc/18/89/19/516188919.db2.gz NICQOYUVWTZTQS-CALCHBBNSA-N 1 3 356.514 2.964 20 0 FFADHO Cc1nc2ccccn2c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512186631 516188926 /nfs/dbraw/zinc/18/89/26/516188926.db2.gz NICQOYUVWTZTQS-CALCHBBNSA-N 1 3 356.514 2.964 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000465583054 516203081 /nfs/dbraw/zinc/20/30/81/516203081.db2.gz UOZMAWHFZCRWAC-XLIONFOSSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000465583054 516203086 /nfs/dbraw/zinc/20/30/86/516203086.db2.gz UOZMAWHFZCRWAC-XLIONFOSSA-N 1 3 358.530 2.741 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000460658136 516214808 /nfs/dbraw/zinc/21/48/08/516214808.db2.gz SIECRPCRMPTBDL-SFHVURJKSA-N 1 3 350.551 2.934 20 0 FFADHO C[C@@H]1CCN(C(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000465633119 516216986 /nfs/dbraw/zinc/21/69/86/516216986.db2.gz PBENMGHTOWKBNQ-LJQANCHMSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000501777184 516221595 /nfs/dbraw/zinc/22/15/95/516221595.db2.gz OZIFBCRKBZUQQV-HDICACEKSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000501777184 516221600 /nfs/dbraw/zinc/22/16/00/516221600.db2.gz OZIFBCRKBZUQQV-HDICACEKSA-N 1 3 350.551 2.624 20 0 FFADHO CCNC(=O)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000488479334 516236538 /nfs/dbraw/zinc/23/65/38/516236538.db2.gz AZBIIJYMFUFYFO-VAMGGRTRSA-N 1 3 355.526 2.793 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)N2CCCC2)cc1 ZINC000488519253 516247318 /nfs/dbraw/zinc/24/73/18/516247318.db2.gz UPKDIKOMRBKYMC-IFMALSPDSA-N 1 3 370.541 2.869 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)N2CCCC2)cc1 ZINC000488519253 516247329 /nfs/dbraw/zinc/24/73/29/516247329.db2.gz UPKDIKOMRBKYMC-IFMALSPDSA-N 1 3 370.541 2.869 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488523928 516249881 /nfs/dbraw/zinc/24/98/81/516249881.db2.gz MSRTXLKTPPMIFW-NQSCKRDGSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488523928 516249891 /nfs/dbraw/zinc/24/98/91/516249891.db2.gz MSRTXLKTPPMIFW-NQSCKRDGSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCCN1C ZINC000488538652 516254021 /nfs/dbraw/zinc/25/40/21/516254021.db2.gz SDXOYTXBVSHDSQ-YFVAEKQCSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCCN1C ZINC000488538652 516254025 /nfs/dbraw/zinc/25/40/25/516254025.db2.gz SDXOYTXBVSHDSQ-YFVAEKQCSA-N 1 3 358.530 2.823 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)C2)C1 ZINC000488545114 516254926 /nfs/dbraw/zinc/25/49/26/516254926.db2.gz ONEFWFXGBMNDFW-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)C2)C1 ZINC000488545114 516254932 /nfs/dbraw/zinc/25/49/32/516254932.db2.gz ONEFWFXGBMNDFW-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000465781010 516255415 /nfs/dbraw/zinc/25/54/15/516255415.db2.gz ISQRAZYFXHBXLU-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000465781010 516255422 /nfs/dbraw/zinc/25/54/22/516255422.db2.gz ISQRAZYFXHBXLU-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCC(C)CC1 ZINC000465814238 516265325 /nfs/dbraw/zinc/26/53/25/516265325.db2.gz MGAZFDFVJRKGCG-HKUYNNGSSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC(C)CC1 ZINC000465814238 516265328 /nfs/dbraw/zinc/26/53/28/516265328.db2.gz MGAZFDFVJRKGCG-HKUYNNGSSA-N 1 3 350.551 2.671 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000460885443 516275118 /nfs/dbraw/zinc/27/51/18/516275118.db2.gz SHRROTCRAJNOAH-WBVHZDCISA-N 1 3 367.484 2.943 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000460885443 516275126 /nfs/dbraw/zinc/27/51/26/516275126.db2.gz SHRROTCRAJNOAH-WBVHZDCISA-N 1 3 367.484 2.943 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000502091870 516302770 /nfs/dbraw/zinc/30/27/70/516302770.db2.gz MBPKURYDBMTJHY-FXAWDEMLSA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000561008563 516332906 /nfs/dbraw/zinc/33/29/06/516332906.db2.gz OQZRDPMKAKNPOX-YOEHRIQHSA-N 1 3 354.926 2.972 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000561008563 516332916 /nfs/dbraw/zinc/33/29/16/516332916.db2.gz OQZRDPMKAKNPOX-YOEHRIQHSA-N 1 3 354.926 2.972 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCSc1ccccc1Cl ZINC000535514716 516383118 /nfs/dbraw/zinc/38/31/18/516383118.db2.gz VJZLMACTZBFOFD-UHFFFAOYSA-N 1 3 357.951 2.774 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000554389645 516419162 /nfs/dbraw/zinc/41/91/62/516419162.db2.gz SNEHHNAHJCFDMS-YJBOKZPZSA-N 1 3 360.502 2.847 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000540059941 516423869 /nfs/dbraw/zinc/42/38/69/516423869.db2.gz YSSXFRSZCJZXPA-QZTJIDSGSA-N 1 3 373.545 2.860 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000540059941 516423877 /nfs/dbraw/zinc/42/38/77/516423877.db2.gz YSSXFRSZCJZXPA-QZTJIDSGSA-N 1 3 373.545 2.860 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000554474735 516453341 /nfs/dbraw/zinc/45/33/41/516453341.db2.gz ANZJOLRVPWYLAK-JKSUJKDBSA-N 1 3 352.548 2.770 20 0 FFADHO CC(C)[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000536016030 516594117 /nfs/dbraw/zinc/59/41/17/516594117.db2.gz AMPHLMXZMVUGQT-UXHICEINSA-N 1 3 360.546 2.579 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000518266355 516595269 /nfs/dbraw/zinc/59/52/69/516595269.db2.gz RPPDKODGBRTCJW-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000554737597 516611891 /nfs/dbraw/zinc/61/18/91/516611891.db2.gz UENOARQQDOZHFW-UXHICEINSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000554737597 516611902 /nfs/dbraw/zinc/61/19/02/516611902.db2.gz UENOARQQDOZHFW-UXHICEINSA-N 1 3 372.557 2.928 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000518371073 516633238 /nfs/dbraw/zinc/63/32/38/516633238.db2.gz MYCQQNQSYVALLI-KNKQGSTJSA-N 1 3 371.525 2.796 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000518492135 516679850 /nfs/dbraw/zinc/67/98/50/516679850.db2.gz HDCFHJRRVUWEBN-UYAOXDASSA-N 1 3 358.461 2.934 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000536233671 516689837 /nfs/dbraw/zinc/68/98/37/516689837.db2.gz OFTBERQSVLGZET-JBACZVJFSA-N 1 3 370.541 2.805 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000536233671 516689850 /nfs/dbraw/zinc/68/98/50/516689850.db2.gz OFTBERQSVLGZET-JBACZVJFSA-N 1 3 370.541 2.805 20 0 FFADHO C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)C(C)(C)C[NH+](C)C ZINC000561641807 516695915 /nfs/dbraw/zinc/69/59/15/516695915.db2.gz XUPSLCKFRSDEOB-INIZCTEOSA-N 1 3 352.523 2.719 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000536417882 516755596 /nfs/dbraw/zinc/75/55/96/516755596.db2.gz CXLJFWIEFQOEKV-IFMALSPDSA-N 1 3 373.541 2.646 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc21 ZINC000555168854 516814280 /nfs/dbraw/zinc/81/42/80/516814280.db2.gz ZSXSKMSJFZULIT-RTWAWAEBSA-N 1 3 373.541 2.785 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000518967442 516835809 /nfs/dbraw/zinc/83/58/09/516835809.db2.gz OXCHZDSRWWEVTD-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000518967442 516835818 /nfs/dbraw/zinc/83/58/18/516835818.db2.gz OXCHZDSRWWEVTD-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[NH+]1CCCC1 ZINC000514032277 516839291 /nfs/dbraw/zinc/83/92/91/516839291.db2.gz DZICRUKLMQUCJO-FQEVSTJZSA-N 1 3 373.545 2.563 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000514173934 516889838 /nfs/dbraw/zinc/88/98/38/516889838.db2.gz ZVWXJUMZKSHUGW-QUCCMNQESA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000536815680 516944134 /nfs/dbraw/zinc/94/41/34/516944134.db2.gz OZJMZXIUKQUONW-MRXNPFEDSA-N 1 3 353.938 2.861 20 0 FFADHO O=C(CCNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1cccc(Cl)c1 ZINC000514788851 517056804 /nfs/dbraw/zinc/05/68/04/517056804.db2.gz OIECMRLKEVJWTM-ROUUACIJSA-N 1 3 365.905 2.636 20 0 FFADHO COc1ccc(CC[C@@H](C)[NH2+]CC(=O)NCCN2CCCCCC2)cc1 ZINC000552064786 517059291 /nfs/dbraw/zinc/05/92/91/517059291.db2.gz OXPULFWYUDRVAM-GOSISDBHSA-N 1 3 361.530 2.598 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529301709 517064425 /nfs/dbraw/zinc/06/44/25/517064425.db2.gz VGKMSXMHEQSZEX-NVXWUHKLSA-N 1 3 362.543 2.544 20 0 FFADHO C[C@H](NCCCC[NH+]1CCN(C)CC1)c1ncc(Br)cc1F ZINC000548633604 517100768 /nfs/dbraw/zinc/10/07/68/517100768.db2.gz BYJDAAFACQMAIQ-ZDUSSCGKSA-N 1 3 373.314 2.661 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529364063 517103759 /nfs/dbraw/zinc/10/37/59/517103759.db2.gz XLRYDZBEHVLJKA-WOJBJXKFSA-N 1 3 370.541 2.825 20 0 FFADHO C[NH+](C)C1(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CCC1 ZINC000552186850 517130677 /nfs/dbraw/zinc/13/06/77/517130677.db2.gz ZQKXQWPAWBUGDF-KRWDZBQOSA-N 1 3 365.468 2.744 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000515100792 517212570 /nfs/dbraw/zinc/21/25/70/517212570.db2.gz KHCYAZMSGJVNHY-QWFCFKBJSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000515100792 517212585 /nfs/dbraw/zinc/21/25/85/517212585.db2.gz KHCYAZMSGJVNHY-QWFCFKBJSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515234554 517265389 /nfs/dbraw/zinc/26/53/89/517265389.db2.gz JWZWDHJNKYLOET-HKUYNNGSSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515234554 517265394 /nfs/dbraw/zinc/26/53/94/517265394.db2.gz JWZWDHJNKYLOET-HKUYNNGSSA-N 1 3 354.922 2.785 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000520201443 517297435 /nfs/dbraw/zinc/29/74/35/517297435.db2.gz OJQOYGKONKYHDT-KZNAEPCWSA-N 1 3 352.567 2.869 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1N1CCCC1 ZINC000520251762 517319594 /nfs/dbraw/zinc/31/95/94/517319594.db2.gz MBCARDOGJSDHKN-HSALFYBXSA-N 1 3 373.566 2.547 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1N1CCCC1 ZINC000520251762 517319600 /nfs/dbraw/zinc/31/96/00/517319600.db2.gz MBCARDOGJSDHKN-HSALFYBXSA-N 1 3 373.566 2.547 20 0 FFADHO Oc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CCC2 ZINC000556231689 517328735 /nfs/dbraw/zinc/32/87/35/517328735.db2.gz BNTWYMNZVZUAOR-QFIPXVFZSA-N 1 3 366.509 2.967 20 0 FFADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000520397963 517378342 /nfs/dbraw/zinc/37/83/42/517378342.db2.gz OPKPPIPRZCPUFS-NRFANRHFSA-N 1 3 369.509 2.944 20 0 FFADHO CCc1nncn1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000562778007 517388470 /nfs/dbraw/zinc/38/84/70/517388470.db2.gz FUEYYZAGLGNULE-VAMGGRTRSA-N 1 3 353.514 2.873 20 0 FFADHO CCc1nncn1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000562778007 517388482 /nfs/dbraw/zinc/38/84/82/517388482.db2.gz FUEYYZAGLGNULE-VAMGGRTRSA-N 1 3 353.514 2.873 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)[C@H](n2cncn2)C1 ZINC000559740519 517402443 /nfs/dbraw/zinc/40/24/43/517402443.db2.gz GSPNFHDMXWSIDW-NSISKUIASA-N 1 3 357.502 2.738 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000562794449 517406190 /nfs/dbraw/zinc/40/61/90/517406190.db2.gz AKNJKDAJYWGHLI-MRXNPFEDSA-N 1 3 350.532 2.572 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccccc3CN3CCCCC3)C[C@H]21 ZINC000562795341 517408726 /nfs/dbraw/zinc/40/87/26/517408726.db2.gz DOJMMEZVHWGDRL-PWRODBHTSA-N 1 3 370.541 2.941 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000559753749 517411907 /nfs/dbraw/zinc/41/19/07/517411907.db2.gz RRDUMYQLYQHRQC-FUPPJEDESA-N 1 3 372.601 2.903 20 0 FFADHO C[NH+](C)CC[C@H](N[C@H]1CCCc2cc(S(N)(=O)=O)ccc21)C(C)(C)C ZINC000559767250 517418580 /nfs/dbraw/zinc/41/85/80/517418580.db2.gz QAQMFMNSBIOELJ-ROUUACIJSA-N 1 3 367.559 2.667 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000552967231 517458970 /nfs/dbraw/zinc/45/89/70/517458970.db2.gz IXHQUTIRHRERHZ-RBSFLKMASA-N 1 3 363.468 2.886 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000552967231 517458977 /nfs/dbraw/zinc/45/89/77/517458977.db2.gz IXHQUTIRHRERHZ-RBSFLKMASA-N 1 3 363.468 2.886 20 0 FFADHO CCOCC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000515832348 517487203 /nfs/dbraw/zinc/48/72/03/517487203.db2.gz SQRDLPUFNLHRJQ-SFHVURJKSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCN1C ZINC000559972154 517511738 /nfs/dbraw/zinc/51/17/38/517511738.db2.gz GHIXCZRIKAJNQQ-LXTVHRRPSA-N 1 3 363.468 2.836 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCN1C ZINC000559972154 517511744 /nfs/dbraw/zinc/51/17/44/517511744.db2.gz GHIXCZRIKAJNQQ-LXTVHRRPSA-N 1 3 363.468 2.836 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)cc2)CC1 ZINC000530031028 517512156 /nfs/dbraw/zinc/51/21/56/517512156.db2.gz XZJDHZLMJOQAEY-OAQYLSRUSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)cc2)CC1 ZINC000530031028 517512166 /nfs/dbraw/zinc/51/21/66/517512166.db2.gz XZJDHZLMJOQAEY-OAQYLSRUSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000560056253 517554471 /nfs/dbraw/zinc/55/44/71/517554471.db2.gz GQQDFYAXOSUYJY-IEBWSBKVSA-N 1 3 358.530 2.983 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000549457110 517573385 /nfs/dbraw/zinc/57/33/85/517573385.db2.gz YFVIYKVXMFLIEZ-GOSISDBHSA-N 1 3 364.921 2.869 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000516163641 517593797 /nfs/dbraw/zinc/59/37/97/517593797.db2.gz NMSFIWDZAJQWND-DYESRHJHSA-N 1 3 370.541 2.996 20 0 FFADHO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(CN(C)C)cc3)CC2)CC1 ZINC000553256367 517606446 /nfs/dbraw/zinc/60/64/46/517606446.db2.gz BFMVWYSMEMIYFX-UHFFFAOYSA-N 1 3 372.557 2.883 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000516205630 517617030 /nfs/dbraw/zinc/61/70/30/517617030.db2.gz LYWVHBHTTRWQDI-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000533812783 517622349 /nfs/dbraw/zinc/62/23/49/517622349.db2.gz MUQIMWCABXXNKZ-GGPKGHCWSA-N 1 3 360.546 2.721 20 0 FFADHO COc1cc2c(cc1CN1CCC(CO[C@@H]3CC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000530249619 517655669 /nfs/dbraw/zinc/65/56/69/517655669.db2.gz WQWKKFYRCQALSR-DNVCBOLYSA-N 1 3 360.498 2.609 20 0 FFADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(N)CCCCC1 ZINC000556792551 517663191 /nfs/dbraw/zinc/66/31/91/517663191.db2.gz BCOGVPQRMKECBS-UHFFFAOYSA-N 1 3 357.502 2.978 20 0 FFADHO C[C@]1(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCCNC1 ZINC000516451048 517697281 /nfs/dbraw/zinc/69/72/81/517697281.db2.gz SNYWTWDGCMZETH-JKSBSHDWSA-N 1 3 369.509 2.963 20 0 FFADHO C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CCN1CC[NH2+]CC1)OCCO3 ZINC000563155329 517697514 /nfs/dbraw/zinc/69/75/14/517697514.db2.gz RHIWITULZRLGPF-QGZVFWFLSA-N 1 3 371.525 2.551 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCCNC1 ZINC000516743530 517826347 /nfs/dbraw/zinc/82/63/47/517826347.db2.gz PQRXPECWGDPWOD-IUODEOHRSA-N 1 3 354.292 2.898 20 0 FFADHO Cn1cnc(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560544591 517884655 /nfs/dbraw/zinc/88/46/55/517884655.db2.gz QZUQFKCVNBAOLX-HSALFYBXSA-N 1 3 353.514 2.638 20 0 FFADHO Cn1cnc(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560544591 517884665 /nfs/dbraw/zinc/88/46/65/517884665.db2.gz QZUQFKCVNBAOLX-HSALFYBXSA-N 1 3 353.514 2.638 20 0 FFADHO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000560544591 517884675 /nfs/dbraw/zinc/88/46/75/517884675.db2.gz QZUQFKCVNBAOLX-HSALFYBXSA-N 1 3 353.514 2.638 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000530641688 517894603 /nfs/dbraw/zinc/89/46/03/517894603.db2.gz GPNXZOCITKVASU-UHFFFAOYSA-N 1 3 361.530 2.964 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cccc(N2CCCC2=O)c1 ZINC000539057728 517897008 /nfs/dbraw/zinc/89/70/08/517897008.db2.gz HHLXBPHJQPWGFV-ORYQWCPZSA-N 1 3 371.525 2.842 20 0 FFADHO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n(C2CCN(C)CC2)n1 ZINC000530712156 517935610 /nfs/dbraw/zinc/93/56/10/517935610.db2.gz YZJFBGKWZVMVNQ-ZNXRZULTSA-N 1 3 374.533 2.595 20 0 FFADHO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n(C2CCN(C)CC2)n1 ZINC000530712156 517935617 /nfs/dbraw/zinc/93/56/17/517935617.db2.gz YZJFBGKWZVMVNQ-ZNXRZULTSA-N 1 3 374.533 2.595 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000522079206 517977740 /nfs/dbraw/zinc/97/77/40/517977740.db2.gz NRABRKIXVRLDEC-FQEVSTJZSA-N 1 3 358.530 2.907 20 0 FFADHO CC1(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000563561318 517985869 /nfs/dbraw/zinc/98/58/69/517985869.db2.gz BXCAYVBTWYQEHH-IBGZPJMESA-N 1 3 358.530 2.730 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000563562165 517986246 /nfs/dbraw/zinc/98/62/46/517986246.db2.gz PQHXGILVYCLCGO-HXUWFJFHSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000563588190 518003370 /nfs/dbraw/zinc/00/33/70/518003370.db2.gz NDZZSQDPEPBFMN-QGZVKYPTSA-N 1 3 358.530 2.727 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCCC[C@H]1C ZINC000517149055 518041155 /nfs/dbraw/zinc/04/11/55/518041155.db2.gz QPQUIFWICADXRR-QYZOEREBSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000528014701 518043422 /nfs/dbraw/zinc/04/34/22/518043422.db2.gz RWROAAZYJLCLKX-KRWDZBQOSA-N 1 3 361.530 2.926 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000522293781 518069590 /nfs/dbraw/zinc/06/95/90/518069590.db2.gz KFVQIBWYMITJBD-OAQYLSRUSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000522293781 518069596 /nfs/dbraw/zinc/06/95/96/518069596.db2.gz KFVQIBWYMITJBD-OAQYLSRUSA-N 1 3 370.541 2.921 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000531119067 518143934 /nfs/dbraw/zinc/14/39/34/518143934.db2.gz YZROMIDDGUBHAQ-RTWAWAEBSA-N 1 3 353.510 2.895 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000572537949 518237884 /nfs/dbraw/zinc/23/78/84/518237884.db2.gz DKEFPERMMZDKNP-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000572537949 518237892 /nfs/dbraw/zinc/23/78/92/518237892.db2.gz DKEFPERMMZDKNP-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)N2CCCC2)cc1 ZINC000584340272 518291596 /nfs/dbraw/zinc/29/15/96/518291596.db2.gz GCVNVBKZQRZJCU-HOJAQTOUSA-N 1 3 358.530 2.901 20 0 FFADHO COc1ccccc1C[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000564304471 518388822 /nfs/dbraw/zinc/38/88/22/518388822.db2.gz MLYRZVVGDDRULU-HXUWFJFHSA-N 1 3 373.541 2.595 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CNc3ccccc3)CC2)CC1 ZINC000584540351 518391465 /nfs/dbraw/zinc/39/14/65/518391465.db2.gz VWZNHBIHKGLCKM-GOSISDBHSA-N 1 3 372.557 2.800 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(OC)c1C ZINC000564319797 518396612 /nfs/dbraw/zinc/39/66/12/518396612.db2.gz ZVNUJXHKSJAERJ-LJQANCHMSA-N 1 3 363.546 2.860 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(OC)c1C ZINC000564319797 518396620 /nfs/dbraw/zinc/39/66/20/518396620.db2.gz ZVNUJXHKSJAERJ-LJQANCHMSA-N 1 3 363.546 2.860 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000564320085 518397211 /nfs/dbraw/zinc/39/72/11/518397211.db2.gz USXBGJXFMYCGFG-FQEVSTJZSA-N 1 3 355.530 2.925 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000564320085 518397217 /nfs/dbraw/zinc/39/72/17/518397217.db2.gz USXBGJXFMYCGFG-FQEVSTJZSA-N 1 3 355.530 2.925 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(C)C ZINC000567248229 518429504 /nfs/dbraw/zinc/42/95/04/518429504.db2.gz RTJPBHOEUHUNHJ-XWPNQZOQSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000567383295 518497757 /nfs/dbraw/zinc/49/77/57/518497757.db2.gz XPTQDGSZYODLRW-DOTOQJQBSA-N 1 3 367.484 2.881 20 0 FFADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000564567156 518506583 /nfs/dbraw/zinc/50/65/83/518506583.db2.gz LKHIDVMNAFRFHV-CZUORRHYSA-N 1 3 357.420 2.594 20 0 FFADHO CC(C)(N)c1nocc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000564665926 518554523 /nfs/dbraw/zinc/55/45/23/518554523.db2.gz BMFSXWQZODFONO-ZDUSSCGKSA-N 1 3 362.499 2.572 20 0 FFADHO CC(C)(N)c1nocc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000564665926 518554532 /nfs/dbraw/zinc/55/45/32/518554532.db2.gz BMFSXWQZODFONO-ZDUSSCGKSA-N 1 3 362.499 2.572 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000576368611 518559650 /nfs/dbraw/zinc/55/96/50/518559650.db2.gz FTPFIPZZSGOPDJ-PKOBYXMFSA-N 1 3 368.481 2.634 20 0 FFADHO CSC1(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC[NH+](C)CC1 ZINC000576389681 518568515 /nfs/dbraw/zinc/56/85/15/518568515.db2.gz FFYMNMXXDQCMMO-CYBMUJFWSA-N 1 3 374.547 2.707 20 0 FFADHO C[NH+](C)CCc1ccccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000570390729 518581970 /nfs/dbraw/zinc/58/19/70/518581970.db2.gz LXPVJOBWRGOZBP-OAQYLSRUSA-N 1 3 353.510 2.622 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000579235676 518586673 /nfs/dbraw/zinc/58/66/73/518586673.db2.gz ASVOIZXDYPTASV-AEFFLSMTSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000579235676 518586680 /nfs/dbraw/zinc/58/66/80/518586680.db2.gz ASVOIZXDYPTASV-AEFFLSMTSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000582116317 518596787 /nfs/dbraw/zinc/59/67/87/518596787.db2.gz USVVOOUFSUGFRK-QYZOEREBSA-N 1 3 364.603 2.937 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000570425050 518601105 /nfs/dbraw/zinc/60/11/05/518601105.db2.gz MFGMALRVSRTJTK-QGZVFWFLSA-N 1 3 364.559 2.820 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000570437214 518606297 /nfs/dbraw/zinc/60/62/97/518606297.db2.gz NXEVQUWBHVXZCI-NRFANRHFSA-N 1 3 369.557 2.935 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000570437214 518606302 /nfs/dbraw/zinc/60/63/02/518606302.db2.gz NXEVQUWBHVXZCI-NRFANRHFSA-N 1 3 369.557 2.935 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000564777295 518608654 /nfs/dbraw/zinc/60/86/54/518608654.db2.gz CJHBJNMCMUVOGV-ZDFPQIBNSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000564777295 518608657 /nfs/dbraw/zinc/60/86/57/518608657.db2.gz CJHBJNMCMUVOGV-ZDFPQIBNSA-N 1 3 357.542 2.740 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)c1ccsc1 ZINC000573331232 518617134 /nfs/dbraw/zinc/61/71/34/518617134.db2.gz RGXMWIQOMMAHRH-KRWDZBQOSA-N 1 3 352.548 2.901 20 0 FFADHO O=C(NCc1ccccc1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000564803752 518622641 /nfs/dbraw/zinc/62/26/41/518622641.db2.gz LMHBZEIFNDREII-UHFFFAOYSA-N 1 3 363.505 2.861 20 0 FFADHO NC[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc2ccccc2c1 ZINC000579333706 518632491 /nfs/dbraw/zinc/63/24/91/518632491.db2.gz WLVRDWVZHUMDRZ-UWJYYQICSA-N 1 3 366.509 2.967 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000573683993 518786527 /nfs/dbraw/zinc/78/65/27/518786527.db2.gz QBJWHSZCUDZWMW-CQSZACIVSA-N 1 3 357.454 2.669 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000579705294 518813357 /nfs/dbraw/zinc/81/33/57/518813357.db2.gz LBZRLODWEGKAAJ-HXUWFJFHSA-N 1 3 374.573 2.729 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000567990569 518819551 /nfs/dbraw/zinc/81/95/51/518819551.db2.gz IIXJORRETDCRSE-FQEVSTJZSA-N 1 3 369.509 2.706 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000567990569 518819558 /nfs/dbraw/zinc/81/95/58/518819558.db2.gz IIXJORRETDCRSE-FQEVSTJZSA-N 1 3 369.509 2.706 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)cc3OC)CC2)CC1 ZINC000570874355 518821089 /nfs/dbraw/zinc/82/10/89/518821089.db2.gz ZKTRAKLUDVDQNH-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN1CCN(C)CC1 ZINC000582605671 518834926 /nfs/dbraw/zinc/83/49/26/518834926.db2.gz LTNLLTLMPAYFHM-IFMALSPDSA-N 1 3 370.585 2.657 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)c4nccn4c3)CC2)CC1 ZINC000565201726 518841543 /nfs/dbraw/zinc/84/15/43/518841543.db2.gz VQCQWMMKBMBERH-UHFFFAOYSA-N 1 3 369.513 2.778 20 0 FFADHO CSC1(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCN(C)CC1 ZINC000577033182 518882787 /nfs/dbraw/zinc/88/27/87/518882787.db2.gz IWVKSESNHHLTCO-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO CSC1(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCN(C)CC1 ZINC000577033182 518882794 /nfs/dbraw/zinc/88/27/94/518882794.db2.gz IWVKSESNHHLTCO-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000582721036 518890680 /nfs/dbraw/zinc/89/06/80/518890680.db2.gz SBDDLXHNYTZRGP-OAQYLSRUSA-N 1 3 372.509 2.670 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000565352752 518912982 /nfs/dbraw/zinc/91/29/82/518912982.db2.gz VZXIVXLVYPBYPJ-XYJFISCASA-N 1 3 364.559 2.777 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@H](C)[NH3+] ZINC000582844232 518950014 /nfs/dbraw/zinc/95/00/14/518950014.db2.gz YZBIKJXQTWMMDA-FUHWJXTLSA-N 1 3 355.486 2.704 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(CCC[NH3+])CC3CCCC3)cc2)CC1 ZINC000574038641 518958489 /nfs/dbraw/zinc/95/84/89/518958489.db2.gz LENQXGOYISQTHJ-UHFFFAOYSA-N 1 3 372.557 2.810 20 0 FFADHO OCCN1CCN(CCCC[NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000582931977 518992693 /nfs/dbraw/zinc/99/26/93/518992693.db2.gz JIFDCJUBAQWNJZ-UHFFFAOYSA-N 1 3 373.585 2.940 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000568372706 519007224 /nfs/dbraw/zinc/00/72/24/519007224.db2.gz JXQJJAMGTFXOGW-HKUYNNGSSA-N 1 3 358.530 2.728 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000571275521 519014898 /nfs/dbraw/zinc/01/48/98/519014898.db2.gz FSCSTSFLNLMZFV-YESZJQIVSA-N 1 3 355.482 2.573 20 0 FFADHO Cn1nccc1-c1ccccc1C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000574225978 519049942 /nfs/dbraw/zinc/04/99/42/519049942.db2.gz GJHOFIDSLASGOA-FCHUYYIVSA-N 1 3 368.525 2.945 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589641894 519052936 /nfs/dbraw/zinc/05/29/36/519052936.db2.gz TTXIQEQWZGIDDJ-IAGOWNOFSA-N 1 3 367.559 2.906 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000589652117 519058742 /nfs/dbraw/zinc/05/87/42/519058742.db2.gz CFGDOWYNZARFQP-HXUWFJFHSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000583083392 519068538 /nfs/dbraw/zinc/06/85/38/519068538.db2.gz PECVBZQFXHPPOG-INIZCTEOSA-N 1 3 367.497 2.565 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000589766482 519078664 /nfs/dbraw/zinc/07/86/64/519078664.db2.gz PCIKPJRHUDZDOS-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000589766482 519078668 /nfs/dbraw/zinc/07/86/68/519078668.db2.gz PCIKPJRHUDZDOS-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CNC(=O)[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Cc1ccc(F)cc1C ZINC000571404140 519080351 /nfs/dbraw/zinc/08/03/51/519080351.db2.gz ISJVMOSPCYDHLW-YOEHRIQHSA-N 1 3 372.488 2.552 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1 ZINC000589880211 519097652 /nfs/dbraw/zinc/09/76/52/519097652.db2.gz KVOJAXFZUMFBGI-GOSISDBHSA-N 1 3 351.922 2.757 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1 ZINC000589880211 519097656 /nfs/dbraw/zinc/09/76/56/519097656.db2.gz KVOJAXFZUMFBGI-GOSISDBHSA-N 1 3 351.922 2.757 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000577473973 519098286 /nfs/dbraw/zinc/09/82/86/519098286.db2.gz HOFWQUYNJQGISZ-VLQCVTHLSA-N 1 3 370.541 2.666 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[C@@]1(C)C[NH3+] ZINC000577482625 519104019 /nfs/dbraw/zinc/10/40/19/519104019.db2.gz OCQQOBFZFNVZCC-DYESRHJHSA-N 1 3 374.529 3.000 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CNCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000580315638 519114849 /nfs/dbraw/zinc/11/48/49/519114849.db2.gz GKRRARGWYUHDQI-OAQYLSRUSA-N 1 3 356.510 2.937 20 0 FFADHO CCCN[C@@H](C)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000580322480 519118075 /nfs/dbraw/zinc/11/80/75/519118075.db2.gz QNAFZPRJTSIJBQ-INIZCTEOSA-N 1 3 360.502 2.828 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000565776242 519127862 /nfs/dbraw/zinc/12/78/62/519127862.db2.gz HAGRDLUUXCRTMY-LJQANCHMSA-N 1 3 358.530 2.925 20 0 FFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000571549888 519153247 /nfs/dbraw/zinc/15/32/47/519153247.db2.gz DGSQGLRSLVKLSS-BHIFYINESA-N 1 3 368.525 2.778 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000590147626 519161486 /nfs/dbraw/zinc/16/14/86/519161486.db2.gz ZMRFDHOJAWESRW-HXUWFJFHSA-N 1 3 358.530 2.999 20 0 FFADHO Cc1cc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc(N2CCN(C(C)C)CC2)c1 ZINC000583320746 519187070 /nfs/dbraw/zinc/18/70/70/519187070.db2.gz LTGXHLAHIBNMFA-XMSQKQJNSA-N 1 3 370.541 2.854 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571624247 519187890 /nfs/dbraw/zinc/18/78/90/519187890.db2.gz LDDDWORHDNBQHY-HZPDHXFCSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000571624247 519187897 /nfs/dbraw/zinc/18/78/97/519187897.db2.gz LDDDWORHDNBQHY-HZPDHXFCSA-N 1 3 372.513 2.943 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574545900 519209994 /nfs/dbraw/zinc/20/99/94/519209994.db2.gz HGUMEQBJUJJYMA-CTNGQTDRSA-N 1 3 356.514 2.609 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000571700995 519229449 /nfs/dbraw/zinc/22/94/49/519229449.db2.gz PXQHFEAYWXOCRP-PXNSSMCTSA-N 1 3 357.542 2.965 20 0 FFADHO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000580543866 519231403 /nfs/dbraw/zinc/23/14/03/519231403.db2.gz VGFNCCBFVVIROY-QHCPKHFHSA-N 1 3 368.521 2.727 20 0 FFADHO O=C(CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)NC1CCCCC1 ZINC000583435018 519247137 /nfs/dbraw/zinc/24/71/37/519247137.db2.gz ZYVIDIUMSFISJY-WIYYLYMNSA-N 1 3 357.498 2.671 20 0 FFADHO C[C@H](C(=O)Nc1cccc2ccccc21)N(C)CCCN(C)CC[NH+](C)C ZINC000577795409 519258124 /nfs/dbraw/zinc/25/81/24/519258124.db2.gz DZVRGDFQIIUEPB-GOSISDBHSA-N 1 3 370.541 2.982 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000574666432 519270039 /nfs/dbraw/zinc/27/00/39/519270039.db2.gz HFEPROJRWFGZGW-ZKIDJSGLSA-N 1 3 356.514 2.509 20 0 FFADHO CCSc1cccc(F)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574680856 519277507 /nfs/dbraw/zinc/27/75/07/519277507.db2.gz JSMGZYBEKCZZFZ-UHFFFAOYSA-N 1 3 356.511 2.895 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000571796383 519280309 /nfs/dbraw/zinc/28/03/09/519280309.db2.gz IJVTWKAXQUKMTD-FQEVSTJZSA-N 1 3 358.530 2.766 20 0 FFADHO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000583612562 519339050 /nfs/dbraw/zinc/33/90/50/519339050.db2.gz VURSNVNSSZRDIW-SFHVURJKSA-N 1 3 360.502 2.896 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@@H+](C)Cc1ccccc1 ZINC000569084853 519367774 /nfs/dbraw/zinc/36/77/74/519367774.db2.gz DUORCIMYOQBIFF-INIZCTEOSA-N 1 3 368.481 2.811 20 0 FFADHO COc1cc(NC(=O)CCN[C@H](C)CC[NH+](C)C)c(OC)cc1Cl ZINC000574869416 519374970 /nfs/dbraw/zinc/37/49/70/519374970.db2.gz WCUKDSFYYJMZKP-GFCCVEGCSA-N 1 3 357.882 2.616 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000583688596 519382605 /nfs/dbraw/zinc/38/26/05/519382605.db2.gz QWULLRKTICGXAK-RRFJBIMHSA-N 1 3 360.420 2.908 20 0 FFADHO CC(C)(CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000578051211 519391457 /nfs/dbraw/zinc/39/14/57/519391457.db2.gz BEYXOHURLLDJAH-NRFANRHFSA-N 1 3 358.530 2.512 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000574906204 519396723 /nfs/dbraw/zinc/39/67/23/519396723.db2.gz FCVZMSZBPFMJFB-BBWFWOEESA-N 1 3 364.559 2.647 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000566324481 519434252 /nfs/dbraw/zinc/43/42/52/519434252.db2.gz OFXGKFFTZKHNAM-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000566324481 519434260 /nfs/dbraw/zinc/43/42/60/519434260.db2.gz OFXGKFFTZKHNAM-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO [NH3+]CCc1ccccc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000566406454 519475430 /nfs/dbraw/zinc/47/54/30/519475430.db2.gz FGCAMRAUPJNOFC-UHFFFAOYSA-N 1 3 357.523 2.891 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2c(C)nsc2C)CC1 ZINC000566417926 519481631 /nfs/dbraw/zinc/48/16/31/519481631.db2.gz WJZFYKKOAVNQFI-UHFFFAOYSA-N 1 3 366.575 2.820 20 0 FFADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000591030619 519484778 /nfs/dbraw/zinc/48/47/78/519484778.db2.gz OPNMDZOVQBKPPB-FQEVSTJZSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000578287563 519512663 /nfs/dbraw/zinc/51/26/63/519512663.db2.gz NDAZLJSCGYJHCT-INIZCTEOSA-N 1 3 355.526 2.959 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000566509358 519526910 /nfs/dbraw/zinc/52/69/10/519526910.db2.gz SVCPSVSWBNBTRE-LEWJYISDSA-N 1 3 366.509 2.645 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000566509358 519526918 /nfs/dbraw/zinc/52/69/18/519526918.db2.gz SVCPSVSWBNBTRE-LEWJYISDSA-N 1 3 366.509 2.645 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)c3nccs3)CC2)CC1 ZINC000584011240 519546539 /nfs/dbraw/zinc/54/65/39/519546539.db2.gz FPNVDKDSJLHTFQ-OAHLLOKOSA-N 1 3 364.559 2.559 20 0 FFADHO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000581179762 519561739 /nfs/dbraw/zinc/56/17/39/519561739.db2.gz OWOBPRNXJXZCMU-SFHVURJKSA-N 1 3 350.466 2.728 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000569589139 519622049 /nfs/dbraw/zinc/62/20/49/519622049.db2.gz XNTJXGOPVCGNJE-ZWKOTPCHSA-N 1 3 355.869 2.927 20 0 FFADHO Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)ccc1C[NH+](C)C ZINC000616242404 519953323 /nfs/dbraw/zinc/95/33/23/519953323.db2.gz SHYZWMGEHPPWSF-CVEARBPZSA-N 1 3 374.403 2.979 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000603328304 520218736 /nfs/dbraw/zinc/21/87/36/520218736.db2.gz ZRPFDVYCXYKZQZ-SFHVURJKSA-N 1 3 372.557 2.677 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCCC1 ZINC000594958275 520230543 /nfs/dbraw/zinc/23/05/43/520230543.db2.gz RBVDUBYCDKHKJF-RTBURBONSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000612973819 520250213 /nfs/dbraw/zinc/25/02/13/520250213.db2.gz MMSFUMSTOHSWHT-YZGWKJHDSA-N 1 3 370.541 2.823 20 0 FFADHO CN(C)[C@H](CC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000617111526 520331871 /nfs/dbraw/zinc/33/18/71/520331871.db2.gz YCMSXXZYJKNGDJ-OAQYLSRUSA-N 1 3 373.541 2.687 20 0 FFADHO C[C@@H](C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000600714597 520415699 /nfs/dbraw/zinc/41/56/99/520415699.db2.gz AMOQXTRGRHVXDE-VXESANQCSA-N 1 3 354.535 2.571 20 0 FFADHO C[C@@H](CNCC1(O)CCC(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000600714597 520415710 /nfs/dbraw/zinc/41/57/10/520415710.db2.gz AMOQXTRGRHVXDE-VXESANQCSA-N 1 3 354.535 2.571 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000617503657 520539833 /nfs/dbraw/zinc/53/98/33/520539833.db2.gz SSHRPGANOPHYFJ-INIZCTEOSA-N 1 3 374.554 2.741 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000617503657 520539840 /nfs/dbraw/zinc/53/98/40/520539840.db2.gz SSHRPGANOPHYFJ-INIZCTEOSA-N 1 3 374.554 2.741 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000617504757 520541651 /nfs/dbraw/zinc/54/16/51/520541651.db2.gz JHRVWOAXDLBQRC-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000617504757 520541655 /nfs/dbraw/zinc/54/16/55/520541655.db2.gz JHRVWOAXDLBQRC-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000601242676 520705030 /nfs/dbraw/zinc/70/50/30/520705030.db2.gz MYPWLPKCQBAZJQ-MOPGFXCFSA-N 1 3 350.551 2.621 20 0 FFADHO COC(=O)c1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)s1 ZINC000593736081 521181442 /nfs/dbraw/zinc/18/14/42/521181442.db2.gz FOUZCOCXMCPICC-CWRNSKLLSA-N 1 3 352.500 2.561 20 0 FFADHO CSCc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596841573 521325928 /nfs/dbraw/zinc/32/59/28/521325928.db2.gz KBKSWSWLJFTQBB-HNNXBMFYSA-N 1 3 352.548 2.943 20 0 FFADHO CSCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596841573 521325934 /nfs/dbraw/zinc/32/59/34/521325934.db2.gz KBKSWSWLJFTQBB-HNNXBMFYSA-N 1 3 352.548 2.943 20 0 FFADHO OCC[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000607733835 521447217 /nfs/dbraw/zinc/44/72/17/521447217.db2.gz QAWIZXNMJYPVDO-PMACEKPBSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H](CCO)C2)C1 ZINC000607733835 521447221 /nfs/dbraw/zinc/44/72/21/521447221.db2.gz QAWIZXNMJYPVDO-PMACEKPBSA-N 1 3 360.542 2.875 20 0 FFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000615619215 521477584 /nfs/dbraw/zinc/47/75/84/521477584.db2.gz LRSDMNZRNCHSSL-SIKLNZKXSA-N 1 3 373.516 2.982 20 0 FFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000615619215 521477595 /nfs/dbraw/zinc/47/75/95/521477595.db2.gz LRSDMNZRNCHSSL-SIKLNZKXSA-N 1 3 373.516 2.982 20 0 FFADHO COC(=O)c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)[nH]c1C ZINC000602708278 521489797 /nfs/dbraw/zinc/48/97/97/521489797.db2.gz NMGKHGQBUKQJNE-UHFFFAOYSA-N 1 3 356.470 2.507 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000594316898 521553958 /nfs/dbraw/zinc/55/39/58/521553958.db2.gz HSCXZADDJOYUGP-QRVBRYPASA-N 1 3 350.551 2.909 20 0 FFADHO COC(=O)c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)oc1C ZINC000597192033 521566985 /nfs/dbraw/zinc/56/69/85/521566985.db2.gz PJQTYWLFHLCITK-UHFFFAOYSA-N 1 3 357.454 2.771 20 0 FFADHO Nc1ccc(-c2cccc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)n2)cc1 ZINC000634994452 521858488 /nfs/dbraw/zinc/85/84/88/521858488.db2.gz DGEYILDZWKWYDM-QGZVFWFLSA-N 1 3 352.482 2.518 20 0 FFADHO C[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000635004385 521861821 /nfs/dbraw/zinc/86/18/21/521861821.db2.gz DWZRCGPREYZWLL-CRAIPNDOSA-N 1 3 361.511 2.669 20 0 FFADHO CN1CCO[C@H]([C@@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000635006896 521865155 /nfs/dbraw/zinc/86/51/55/521865155.db2.gz UKSWZRLHNUIEFB-QZHFEQFPSA-N 1 3 351.922 2.819 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635011447 521866216 /nfs/dbraw/zinc/86/62/16/521866216.db2.gz NZDBKWWDJRFHGB-HKUYNNGSSA-N 1 3 357.502 2.786 20 0 FFADHO C[C@@H]1C[C@H](CO)CCN1Cc1ccccc1C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626120581 521943827 /nfs/dbraw/zinc/94/38/27/521943827.db2.gz HSGXBBCWQXSPNH-UAFMIMERSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1C[C@H](CO)CCN1Cc1ccccc1C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626120581 521943831 /nfs/dbraw/zinc/94/38/31/521943831.db2.gz HSGXBBCWQXSPNH-UAFMIMERSA-N 1 3 360.542 2.872 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000623643501 522188666 /nfs/dbraw/zinc/18/86/66/522188666.db2.gz ACFLYDQLBNRUOM-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO CCc1nc(C(C)C)ccc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000629516770 522295216 /nfs/dbraw/zinc/29/52/16/522295216.db2.gz PJUYANUTQVEBTQ-DYESRHJHSA-N 1 3 372.557 2.848 20 0 FFADHO O[C@H](CNCC1(c2cccc(Br)c2)CCC1)C[NH+]1CCCC1 ZINC000629557955 522312298 /nfs/dbraw/zinc/31/22/98/522312298.db2.gz LHYWXWJLHOAHND-QGZVFWFLSA-N 1 3 367.331 2.917 20 0 FFADHO CCCN(C)[C@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000629580774 522328594 /nfs/dbraw/zinc/32/85/94/522328594.db2.gz HBTCJSAHHJCMGF-RTBURBONSA-N 1 3 353.938 2.769 20 0 FFADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000632868250 522343699 /nfs/dbraw/zinc/34/36/99/522343699.db2.gz PPJIQMZASGIXLQ-NWANDNLSSA-N 1 3 356.388 2.898 20 0 FFADHO CCCN1CCN(c2ccccc2CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629668239 522385152 /nfs/dbraw/zinc/38/51/52/522385152.db2.gz SLNGFOKZRNXUQX-SZPZYZBQSA-N 1 3 356.558 2.650 20 0 FFADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)CCOCC[NH3+])o1 ZINC000629668126 522385882 /nfs/dbraw/zinc/38/58/82/522385882.db2.gz ZXSNUFNLZUQMCL-UHFFFAOYSA-N 1 3 354.454 2.848 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000629673273 522388357 /nfs/dbraw/zinc/38/83/57/522388357.db2.gz BAMQEHJYQYSBFZ-SFHVURJKSA-N 1 3 358.486 2.579 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624120958 522490442 /nfs/dbraw/zinc/49/04/42/522490442.db2.gz KVACYWSEUUNQOF-DLBZAZTESA-N 1 3 365.543 2.609 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624123972 522490562 /nfs/dbraw/zinc/49/05/62/522490562.db2.gz VDNUMMIEOSVLSP-XLIONFOSSA-N 1 3 357.502 2.740 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000633092765 522522389 /nfs/dbraw/zinc/52/23/89/522522389.db2.gz LVESQNBHAIHPIH-IZBJGVDFSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000633092765 522522405 /nfs/dbraw/zinc/52/24/05/522522405.db2.gz LVESQNBHAIHPIH-IZBJGVDFSA-N 1 3 358.530 2.536 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000626921637 522531561 /nfs/dbraw/zinc/53/15/61/522531561.db2.gz FNDFBQAMWAHFEJ-BBWFWOEESA-N 1 3 364.559 2.961 20 0 FFADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000626929974 522535966 /nfs/dbraw/zinc/53/59/66/522535966.db2.gz HXWGXVJOBJCIHS-HRAATJIYSA-N 1 3 366.509 2.965 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000626934118 522539838 /nfs/dbraw/zinc/53/98/38/522539838.db2.gz STSRCXKQMAJIAA-HZPDHXFCSA-N 1 3 350.532 2.715 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000633142857 522551748 /nfs/dbraw/zinc/55/17/48/522551748.db2.gz GIYHWLDQNLGIBP-MOPGFXCFSA-N 1 3 358.530 2.948 20 0 FFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000629980665 522564916 /nfs/dbraw/zinc/56/49/16/522564916.db2.gz RVULNCPEPUSXPP-HLAWJBBLSA-N 1 3 355.526 2.888 20 0 FFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000629980665 522564927 /nfs/dbraw/zinc/56/49/27/522564927.db2.gz RVULNCPEPUSXPP-HLAWJBBLSA-N 1 3 355.526 2.888 20 0 FFADHO CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000621010798 522578162 /nfs/dbraw/zinc/57/81/62/522578162.db2.gz KOWVROPITYHLLW-KRWDZBQOSA-N 1 3 352.910 2.507 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627014519 522592440 /nfs/dbraw/zinc/59/24/40/522592440.db2.gz CFQLDIOLTMBMPS-MOPGFXCFSA-N 1 3 358.530 2.727 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N(C)C ZINC000627033393 522607218 /nfs/dbraw/zinc/60/72/18/522607218.db2.gz IJUPKRXWBLVTFE-BVPXEZJJSA-N 1 3 358.530 2.627 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)N(C)C)cc1 ZINC000627037750 522609382 /nfs/dbraw/zinc/60/93/82/522609382.db2.gz UPPJXXRTRCNIDO-SZVBFZGTSA-N 1 3 362.518 2.516 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000624548063 522770805 /nfs/dbraw/zinc/77/08/05/522770805.db2.gz DDBCKYHVYFSKBV-UXHICEINSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000624548063 522770811 /nfs/dbraw/zinc/77/08/11/522770811.db2.gz DDBCKYHVYFSKBV-UXHICEINSA-N 1 3 358.530 2.996 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CCCC[N@H+](C)C3)CC2)CC1 ZINC000624614066 522822734 /nfs/dbraw/zinc/82/27/34/522822734.db2.gz JNQCNBRRMNBUTQ-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)CC2)CC1 ZINC000624614066 522822742 /nfs/dbraw/zinc/82/27/42/522822742.db2.gz JNQCNBRRMNBUTQ-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000621755051 523058964 /nfs/dbraw/zinc/05/89/64/523058964.db2.gz RPSDYAZFGADIQZ-QKLQHJQFSA-N 1 3 359.514 2.963 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000637277950 523528435 /nfs/dbraw/zinc/52/84/35/523528435.db2.gz INPAZSSUSAPABQ-RBUKOAKNSA-N 1 3 358.530 2.600 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCn2ccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000634687200 523579026 /nfs/dbraw/zinc/57/90/26/523579026.db2.gz BJZBOBLXTMGGCX-GJZGRUSLSA-N 1 3 362.440 2.629 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCn2ccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000634687200 523579029 /nfs/dbraw/zinc/57/90/29/523579029.db2.gz BJZBOBLXTMGGCX-GJZGRUSLSA-N 1 3 362.440 2.629 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)c(OC)c1 ZINC000634733873 523620389 /nfs/dbraw/zinc/62/03/89/523620389.db2.gz QDNGEUAEMIFSED-CABCVRRESA-N 1 3 363.502 2.789 20 0 FFADHO c1csc(C[NH+]2CCC(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000823815831 606216362 /nfs/dbraw/zinc/21/63/62/606216362.db2.gz KGMKPWSFHKKXSL-UHFFFAOYSA-N 1 3 374.539 2.992 20 0 FFADHO c1csc(C[NH+]2CCC(C[NH2+]Cc3cc(-c4nn[n-]n4)cs3)CC2)c1 ZINC000823815831 606216363 /nfs/dbraw/zinc/21/63/63/606216363.db2.gz KGMKPWSFHKKXSL-UHFFFAOYSA-N 1 3 374.539 2.992 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000899050186 735438789 /nfs/dbraw/zinc/43/87/89/735438789.db2.gz LWOAAUOAFXVGTH-XQQFMLRXSA-N 1 3 363.893 2.911 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000899050186 735438794 /nfs/dbraw/zinc/43/87/94/735438794.db2.gz LWOAAUOAFXVGTH-XQQFMLRXSA-N 1 3 363.893 2.911 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000045521856 728003440 /nfs/dbraw/zinc/00/34/40/728003440.db2.gz NMULNLXDCJJIFV-LJQANCHMSA-N 1 3 360.571 2.599 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000045521856 728003443 /nfs/dbraw/zinc/00/34/43/728003443.db2.gz NMULNLXDCJJIFV-LJQANCHMSA-N 1 3 360.571 2.599 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000091856855 728463147 /nfs/dbraw/zinc/46/31/47/728463147.db2.gz VMLFACKIXPXDOK-PMACEKPBSA-N 1 3 362.539 2.868 20 0 FFADHO C[NH+]1CCN(c2ccc(CN[C@H]3CCc4ccc(Cl)nc43)cn2)CC1 ZINC000857902741 730413970 /nfs/dbraw/zinc/41/39/70/730413970.db2.gz UYIXZMNKQWUPDQ-INIZCTEOSA-N 1 3 357.889 2.659 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Br)n1 ZINC000925023034 738471363 /nfs/dbraw/zinc/47/13/63/738471363.db2.gz JLNSFDVTMRHCGU-UONOGXRCSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Br)n1 ZINC000925023034 738471367 /nfs/dbraw/zinc/47/13/67/738471367.db2.gz JLNSFDVTMRHCGU-UONOGXRCSA-N 1 3 356.308 2.732 20 0 FFADHO Cc1ccc(Cl)c(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000644577890 730484269 /nfs/dbraw/zinc/48/42/69/730484269.db2.gz SKWSYDKBZWANAF-NPYXIHBLSA-N 1 3 352.906 2.993 20 0 FFADHO Cc1ccc(Cl)c(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000644577890 730484270 /nfs/dbraw/zinc/48/42/70/730484270.db2.gz SKWSYDKBZWANAF-NPYXIHBLSA-N 1 3 352.906 2.993 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862273420 730684443 /nfs/dbraw/zinc/68/44/43/730684443.db2.gz ZEUNLVGJNAKKIC-CABCVRRESA-N 1 3 361.477 2.953 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862273420 730684444 /nfs/dbraw/zinc/68/44/44/730684444.db2.gz ZEUNLVGJNAKKIC-CABCVRRESA-N 1 3 361.477 2.953 20 0 FFADHO Cc1cc2c(ncnc2N2CCN(CCCC3CC[NH2+]CC3)CC2)s1 ZINC000647990191 730780656 /nfs/dbraw/zinc/78/06/56/730780656.db2.gz DSNWEYUJFIIMOW-UHFFFAOYSA-N 1 3 359.543 2.902 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000648379836 730804235 /nfs/dbraw/zinc/80/42/35/730804235.db2.gz CLMFTBHTZIIMRP-KDOFPFPSSA-N 1 3 362.905 2.939 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000648379836 730804238 /nfs/dbraw/zinc/80/42/38/730804238.db2.gz CLMFTBHTZIIMRP-KDOFPFPSSA-N 1 3 362.905 2.939 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCN2CCCS2(=O)=O)CC1 ZINC000648448903 730809853 /nfs/dbraw/zinc/80/98/53/730809853.db2.gz ZWKWQTBFZPAGAF-UHFFFAOYSA-N 1 3 373.607 2.681 20 0 FFADHO CN(C)[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000649346524 730878039 /nfs/dbraw/zinc/87/80/39/730878039.db2.gz NHOBMQTVLRAIDS-GOSISDBHSA-N 1 3 357.885 2.555 20 0 FFADHO COCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000650086562 730954906 /nfs/dbraw/zinc/95/49/06/730954906.db2.gz BKMFQWKZBHDFLM-SJORKVTESA-N 1 3 360.420 2.829 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)CS(N)(=O)=O)CC1 ZINC000866572481 731075433 /nfs/dbraw/zinc/07/54/33/731075433.db2.gz OSAJZYAUVAMIKN-UHFFFAOYSA-N 1 3 361.596 2.570 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000652320645 731183232 /nfs/dbraw/zinc/18/32/32/731183232.db2.gz HNHOQVDXYSJWSP-QGZVFWFLSA-N 1 3 352.910 2.632 20 0 FFADHO COc1cc(C[NH+](C)C)ccc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000868816877 731333973 /nfs/dbraw/zinc/33/39/73/731333973.db2.gz ADIKMOCMMPMTMS-IBGZPJMESA-N 1 3 351.466 2.908 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(CC(F)(F)F)C3)CC2)CC1 ZINC000654895421 731406998 /nfs/dbraw/zinc/40/69/98/731406998.db2.gz QJFHJANQMFIKRA-UHFFFAOYSA-N 1 3 361.452 2.594 20 0 FFADHO CC1(C)[C@@H](NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925651392 738520040 /nfs/dbraw/zinc/52/00/40/738520040.db2.gz BRKYGBYXDZRNDA-GGNLRSJOSA-N 1 3 356.432 2.621 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000925651392 738520043 /nfs/dbraw/zinc/52/00/43/738520043.db2.gz BRKYGBYXDZRNDA-GGNLRSJOSA-N 1 3 356.432 2.621 20 0 FFADHO Brc1cnn(CCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925675118 738522180 /nfs/dbraw/zinc/52/21/80/738522180.db2.gz VTSTVJILNMUQPK-HZPDHXFCSA-N 1 3 355.324 2.794 20 0 FFADHO CCN(CC)[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000655688803 731498860 /nfs/dbraw/zinc/49/88/60/731498860.db2.gz JATFTQLUEPXCSM-MOPGFXCFSA-N 1 3 351.560 2.974 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CS1 ZINC000655730006 731502861 /nfs/dbraw/zinc/50/28/61/731502861.db2.gz KZEFMFOHUMHPTE-APWZRJJASA-N 1 3 361.555 2.886 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000925732993 738525002 /nfs/dbraw/zinc/52/50/02/738525002.db2.gz IGXMERHKUJPCPN-YSGRDPCXSA-N 1 3 364.555 2.952 20 0 FFADHO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925832544 738534285 /nfs/dbraw/zinc/53/42/85/738534285.db2.gz GGASLXAYDXWVPW-RBUKOAKNSA-N 1 3 364.555 2.781 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925832544 738534286 /nfs/dbraw/zinc/53/42/86/738534286.db2.gz GGASLXAYDXWVPW-RBUKOAKNSA-N 1 3 364.555 2.781 20 0 FFADHO C[C@@H](NCCCCCN1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000925843601 738535328 /nfs/dbraw/zinc/53/53/28/738535328.db2.gz FVPSJHPBYQRWTQ-GFCCVEGCSA-N 1 3 361.353 2.632 20 0 FFADHO COc1c(C)cc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000925849059 738536053 /nfs/dbraw/zinc/53/60/53/738536053.db2.gz HBZKYKQDDANHAJ-DZGCQCFKSA-N 1 3 366.889 2.993 20 0 FFADHO O=C1O[C@H](CN[C@H]2CCSc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925852773 738537282 /nfs/dbraw/zinc/53/72/82/738537282.db2.gz IEDZVMUCOCPKQS-ZFWWWQNUSA-N 1 3 350.459 2.638 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1nc2cc(Cl)ccc2n1C ZINC000657572778 731791935 /nfs/dbraw/zinc/79/19/35/731791935.db2.gz GBKMPIGQGDYHRK-AWEZNQCLSA-N 1 3 351.926 2.588 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc(Cl)n1 ZINC000877404152 732358203 /nfs/dbraw/zinc/35/82/03/732358203.db2.gz YJXYGYCZVZSLGP-HOTGVXAUSA-N 1 3 364.921 2.862 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1csc2ccccc12 ZINC000663668115 732472732 /nfs/dbraw/zinc/47/27/32/732472732.db2.gz YBCXGOMRXZCCMQ-HNNXBMFYSA-N 1 3 362.543 2.973 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1csc2ccccc12 ZINC000663668115 732472735 /nfs/dbraw/zinc/47/27/35/732472735.db2.gz YBCXGOMRXZCCMQ-HNNXBMFYSA-N 1 3 362.543 2.973 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000663917274 732514100 /nfs/dbraw/zinc/51/41/00/732514100.db2.gz CTMVXJPTGJNTIE-ZDUSSCGKSA-N 1 3 358.889 2.550 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000663917274 732514105 /nfs/dbraw/zinc/51/41/05/732514105.db2.gz CTMVXJPTGJNTIE-ZDUSSCGKSA-N 1 3 358.889 2.550 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000665763678 732753004 /nfs/dbraw/zinc/75/30/04/732753004.db2.gz IVWNQHXERGKYEO-SOUVJXGZSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000665763678 732753006 /nfs/dbraw/zinc/75/30/06/732753006.db2.gz IVWNQHXERGKYEO-SOUVJXGZSA-N 1 3 366.472 2.631 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cc(COC)cs3)CC2)CC1 ZINC000668245189 733094819 /nfs/dbraw/zinc/09/48/19/733094819.db2.gz VYRQCCGHJRVNJU-UHFFFAOYSA-N 1 3 351.560 2.887 20 0 FFADHO CC(C)(C)[NH+]1CCC(NCC2(n3cc(Br)cn3)CC2)CC1 ZINC000927008161 738681278 /nfs/dbraw/zinc/68/12/78/738681278.db2.gz NSMLPNDSHGFWOL-UHFFFAOYSA-N 1 3 355.324 2.987 20 0 FFADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000668660898 733150582 /nfs/dbraw/zinc/15/05/82/733150582.db2.gz FNULMHCZAMPHPZ-RDJZCZTQSA-N 1 3 364.559 2.962 20 0 FFADHO COc1ccc(C[C@@H](C)C[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1F ZINC000668738742 733159122 /nfs/dbraw/zinc/15/91/22/733159122.db2.gz FTVUODSHPREZJB-QAPCUYQASA-N 1 3 350.478 2.544 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCc2ccccc2Br)CC1 ZINC000883428992 733384149 /nfs/dbraw/zinc/38/41/49/733384149.db2.gz ITVRZBRNNJDFMV-SJORKVTESA-N 1 3 353.304 2.820 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](c1cccs1)N1CCCC1 ZINC000884347713 733514810 /nfs/dbraw/zinc/51/48/10/733514810.db2.gz CCGFUMJOCGXHHT-HZPDHXFCSA-N 1 3 366.600 2.833 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H](c1cccs1)N1CCCC1 ZINC000884347713 733514814 /nfs/dbraw/zinc/51/48/14/733514814.db2.gz CCGFUMJOCGXHHT-HZPDHXFCSA-N 1 3 366.600 2.833 20 0 FFADHO CC1([NH+]2CCCC2)CCC(NCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000886551039 733801530 /nfs/dbraw/zinc/80/15/30/733801530.db2.gz AKABOIDFDFQEKW-UHFFFAOYSA-N 1 3 368.518 2.986 20 0 FFADHO C[C@@H]1C[C@@H](NCc2c(Cl)cccc2N2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000675920455 733821604 /nfs/dbraw/zinc/82/16/04/733821604.db2.gz RLAVSYSAFFBABO-HZPDHXFCSA-N 1 3 362.949 2.807 20 0 FFADHO C[C@@H]1C[C@@H](NCc2c(Cl)cccc2N2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000675920455 733821607 /nfs/dbraw/zinc/82/16/07/733821607.db2.gz RLAVSYSAFFBABO-HZPDHXFCSA-N 1 3 362.949 2.807 20 0 FFADHO COc1cc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000717924681 734375250 /nfs/dbraw/zinc/37/52/50/734375250.db2.gz IYLJRQYSBGHZIJ-UHFFFAOYSA-N 1 3 361.511 2.659 20 0 FFADHO COCCCN1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892801219 734605602 /nfs/dbraw/zinc/60/56/02/734605602.db2.gz MOXWBBJJAFKULE-UHFFFAOYSA-N 1 3 351.438 2.838 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000892933203 734625081 /nfs/dbraw/zinc/62/50/81/734625081.db2.gz QVLXIWGAEAJVLS-INIZCTEOSA-N 1 3 352.910 2.856 20 0 FFADHO C[C@@H]1C[C@H](NC(=S)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000751041379 735841665 /nfs/dbraw/zinc/84/16/65/735841665.db2.gz YBAQJMOHTLFTGX-VQIMIIECSA-N 1 3 360.571 2.598 20 0 FFADHO C[C@@H]1C[C@H](NC(=S)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000751041379 735841669 /nfs/dbraw/zinc/84/16/69/735841669.db2.gz YBAQJMOHTLFTGX-VQIMIIECSA-N 1 3 360.571 2.598 20 0 FFADHO [NH3+]CCCC[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1F ZINC000902384567 735940592 /nfs/dbraw/zinc/94/05/92/735940592.db2.gz NDFTVFVMKSXSGC-DYVFJYSZSA-N 1 3 360.470 2.549 20 0 FFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902802162 735993497 /nfs/dbraw/zinc/99/34/97/735993497.db2.gz IXOLJOVVYNVHLT-UKRRQHHQSA-N 1 3 356.436 2.920 20 0 FFADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903132653 736038184 /nfs/dbraw/zinc/03/81/84/736038184.db2.gz VGQANZBFCQTXAF-GFCCVEGCSA-N 1 3 362.417 2.893 20 0 FFADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903132653 736038188 /nfs/dbraw/zinc/03/81/88/736038188.db2.gz VGQANZBFCQTXAF-GFCCVEGCSA-N 1 3 362.417 2.893 20 0 FFADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1nc(-c3ccccc3)cs1)C2 ZINC000903495162 736101797 /nfs/dbraw/zinc/10/17/97/736101797.db2.gz XXXXIRSQXIIDNJ-KHYOSLBOSA-N 1 3 357.479 2.522 20 0 FFADHO FC(F)Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510086 736103836 /nfs/dbraw/zinc/10/38/36/736103836.db2.gz NRHHSVNQDRNJOT-CALCHBBNSA-N 1 3 351.441 2.689 20 0 FFADHO FC(F)Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510086 736103839 /nfs/dbraw/zinc/10/38/39/736103839.db2.gz NRHHSVNQDRNJOT-CALCHBBNSA-N 1 3 351.441 2.689 20 0 FFADHO FC(F)Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510086 736103842 /nfs/dbraw/zinc/10/38/42/736103842.db2.gz NRHHSVNQDRNJOT-CALCHBBNSA-N 1 3 351.441 2.689 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)C1 ZINC000903761364 736163594 /nfs/dbraw/zinc/16/35/94/736163594.db2.gz QUGUMKHKGSACSE-WCVJEAGWSA-N 1 3 350.425 2.705 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)C1 ZINC000903761363 736163877 /nfs/dbraw/zinc/16/38/77/736163877.db2.gz QUGUMKHKGSACSE-UGUYLWEFSA-N 1 3 350.425 2.705 20 0 FFADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921548 736189025 /nfs/dbraw/zinc/18/90/25/736189025.db2.gz OZQOLRUCXZEEQT-OHNRDTAOSA-N 1 3 364.921 2.865 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3F)C2)[C@H]1C(C)C ZINC000922395265 738137457 /nfs/dbraw/zinc/13/74/57/738137457.db2.gz RVCDRTGRDMPHIR-WTGUMLROSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3F)C2)[C@H]1C(C)C ZINC000922395265 738137459 /nfs/dbraw/zinc/13/74/59/738137459.db2.gz RVCDRTGRDMPHIR-WTGUMLROSA-N 1 3 350.478 2.794 20 0 FFADHO COc1c(C)cc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000796761423 740180861 /nfs/dbraw/zinc/18/08/61/740180861.db2.gz FCXNHJFWGGYAMX-LSDHHAIUSA-N 1 3 367.921 2.895 20 0 FFADHO Cc1ncsc1CN1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385872 740343471 /nfs/dbraw/zinc/34/34/71/740343471.db2.gz QEHTZLMWOFSFQO-BRWVUGGUSA-N 1 3 364.559 2.605 20 0 FFADHO Cc1ncsc1CN1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385872 740343473 /nfs/dbraw/zinc/34/34/73/740343473.db2.gz QEHTZLMWOFSFQO-BRWVUGGUSA-N 1 3 364.559 2.605 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000808718756 741255453 /nfs/dbraw/zinc/25/54/53/741255453.db2.gz BBFOOHUSFPUJSE-NXHRZFHOSA-N 1 3 367.584 2.881 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3scnc3C)CC2)CC[N@@H+]1C ZINC000985440926 741396886 /nfs/dbraw/zinc/39/68/86/741396886.db2.gz SIWMWUHVVIYZRI-DLBZAZTESA-N 1 3 364.559 2.605 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3scnc3C)CC2)CC[N@H+]1C ZINC000985440926 741396890 /nfs/dbraw/zinc/39/68/90/741396890.db2.gz SIWMWUHVVIYZRI-DLBZAZTESA-N 1 3 364.559 2.605 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3sc(C)nc3C)CC2)CC[N@@H+]1C ZINC001002858761 742177001 /nfs/dbraw/zinc/17/70/01/742177001.db2.gz GKFDGRXDIKVSGE-DLBZAZTESA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3sc(C)nc3C)CC2)CC[N@H+]1C ZINC001002858761 742177006 /nfs/dbraw/zinc/17/70/06/742177006.db2.gz GKFDGRXDIKVSGE-DLBZAZTESA-N 1 3 364.559 2.571 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000819084265 742335588 /nfs/dbraw/zinc/33/55/88/742335588.db2.gz LSKQGBJIGIEINC-FZKQIMNGSA-N 1 3 356.869 2.603 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC001022109150 742644414 /nfs/dbraw/zinc/64/44/14/742644414.db2.gz HHVLHFHGINIMGR-UIBIWLFHSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC001022109150 742644418 /nfs/dbraw/zinc/64/44/18/742644418.db2.gz HHVLHFHGINIMGR-UIBIWLFHSA-N 1 3 367.896 2.946 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001024967452 742737566 /nfs/dbraw/zinc/73/75/66/742737566.db2.gz PGBUMFNFCKAQGY-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001024967452 742737569 /nfs/dbraw/zinc/73/75/69/742737569.db2.gz PGBUMFNFCKAQGY-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000824818934 743154992 /nfs/dbraw/zinc/15/49/92/743154992.db2.gz KVVGOZQJIMOEGM-ZDUSSCGKSA-N 1 3 362.345 2.635 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2sccc2Cl)CC[N@@H+]1C ZINC001045044033 743245657 /nfs/dbraw/zinc/24/56/57/743245657.db2.gz RECVWPMJFAJBSS-HZSPNIEDSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2sccc2Cl)CC[N@H+]1C ZINC001045044033 743245664 /nfs/dbraw/zinc/24/56/64/743245664.db2.gz RECVWPMJFAJBSS-HZSPNIEDSA-N 1 3 355.935 2.822 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001045044688 743246989 /nfs/dbraw/zinc/24/69/89/743246989.db2.gz RDOQLLBMRMIGTE-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001045044688 743246994 /nfs/dbraw/zinc/24/69/94/743246994.db2.gz RDOQLLBMRMIGTE-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO Cc1nc(C)c(CN2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001045444694 743276135 /nfs/dbraw/zinc/27/61/35/743276135.db2.gz GDAIEXSRURAAHK-GDBMZVCRSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nc(C)c(CN2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001045444694 743276139 /nfs/dbraw/zinc/27/61/39/743276139.db2.gz GDAIEXSRURAAHK-GDBMZVCRSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000825990033 743352188 /nfs/dbraw/zinc/35/21/88/743352188.db2.gz JVFOABCDMMLFIU-MRXNPFEDSA-N 1 3 352.910 2.672 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCC(F)(F)F)CC[N@@H+]1C ZINC001049481736 743465600 /nfs/dbraw/zinc/46/56/00/743465600.db2.gz JHDFHTGNBDIOMH-XUWVNRHRSA-N 1 3 361.452 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCC(F)(F)F)CC[N@H+]1C ZINC001049481736 743465603 /nfs/dbraw/zinc/46/56/03/743465603.db2.gz JHDFHTGNBDIOMH-XUWVNRHRSA-N 1 3 361.452 2.734 20 0 FFADHO [NH2+]=C(NCCN1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000849059716 749043370 /nfs/dbraw/zinc/04/33/70/749043370.db2.gz GHSVVKGQSCONSK-UHFFFAOYSA-N 1 3 363.937 2.862 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000854114084 750243591 /nfs/dbraw/zinc/24/35/91/750243591.db2.gz XDFSJEGVLPSEIL-ZFWWWQNUSA-N 1 3 367.365 2.532 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000854114084 750243597 /nfs/dbraw/zinc/24/35/97/750243597.db2.gz XDFSJEGVLPSEIL-ZFWWWQNUSA-N 1 3 367.365 2.532 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cccc(Cl)n2)C1 ZINC001104873651 971059017 /nfs/dbraw/zinc/05/90/17/971059017.db2.gz CWLOGZVASLABQJ-HZPDHXFCSA-N 1 3 366.937 2.651 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cccc(Cl)n2)C1 ZINC001104873651 971059025 /nfs/dbraw/zinc/05/90/25/971059025.db2.gz CWLOGZVASLABQJ-HZPDHXFCSA-N 1 3 366.937 2.651 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1 ZINC001087909037 971071845 /nfs/dbraw/zinc/07/18/45/971071845.db2.gz WGNKGMWGZVQMPK-AABGKKOBSA-N 1 3 359.489 2.531 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1 ZINC001087909037 971071854 /nfs/dbraw/zinc/07/18/54/971071854.db2.gz WGNKGMWGZVQMPK-AABGKKOBSA-N 1 3 359.489 2.531 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2c(C)nsc2C)C1 ZINC001104938623 971189456 /nfs/dbraw/zinc/18/94/56/971189456.db2.gz YFVWMPXYSWZJCH-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(C)C)C1 ZINC001105067128 971445349 /nfs/dbraw/zinc/44/53/49/971445349.db2.gz ODJSTUHISWDYJA-AQNXPRMDSA-N 1 3 367.578 2.608 20 0 FFADHO COc1cccc(-c2csc(CNCCC[N@@H+]3CCCN(C)CC3)n2)c1 ZINC000893317281 971567069 /nfs/dbraw/zinc/56/70/69/971567069.db2.gz CTCXVFBCFWKWSN-UHFFFAOYSA-N 1 3 374.554 2.936 20 0 FFADHO COc1cccc(-c2csc(CNCCC[N@H+]3CCCN(C)CC3)n2)c1 ZINC000893317281 971567072 /nfs/dbraw/zinc/56/70/72/971567072.db2.gz CTCXVFBCFWKWSN-UHFFFAOYSA-N 1 3 374.554 2.936 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087993522 971739277 /nfs/dbraw/zinc/73/92/77/971739277.db2.gz RGYPXQVQLGPECQ-FSSWDIPSSA-N 1 3 369.553 2.740 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087993522 971739280 /nfs/dbraw/zinc/73/92/80/971739280.db2.gz RGYPXQVQLGPECQ-FSSWDIPSSA-N 1 3 369.553 2.740 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccc(C)cc3)CC[C@@H]2C1)N(C)C ZINC001088011018 971845458 /nfs/dbraw/zinc/84/54/58/971845458.db2.gz VIVNRDKDMRYNNO-QHAWAJNXSA-N 1 3 357.542 2.658 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccc(C)cc3)CC[C@@H]2C1)N(C)C ZINC001088011018 971845465 /nfs/dbraw/zinc/84/54/65/971845465.db2.gz VIVNRDKDMRYNNO-QHAWAJNXSA-N 1 3 357.542 2.658 20 0 FFADHO c1c([C@@H]2CNCCO2)cn2c1cccc2-c1cccc(N2CC[NH2+]CC2)c1 ZINC001205922460 1032066747 /nfs/dbraw/zinc/06/67/47/1032066747.db2.gz MUUYCCGQLVIZOZ-QFIPXVFZSA-N 1 3 362.477 2.677 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)Cc1ccco1 ZINC000654735353 958873426 /nfs/dbraw/zinc/87/34/26/958873426.db2.gz RYYYDUCATKEVHA-OALUTQOASA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)Cc1ccco1 ZINC000654735353 958873437 /nfs/dbraw/zinc/87/34/37/958873437.db2.gz RYYYDUCATKEVHA-OALUTQOASA-N 1 3 362.518 2.760 20 0 FFADHO CCn1ccc(CN(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000655023949 959294560 /nfs/dbraw/zinc/29/45/60/959294560.db2.gz VIRDAHSLULOZTL-UHFFFAOYSA-N 1 3 360.546 2.663 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc(C)c(C)c3)C2)CC[N@@H+]1C ZINC000969705771 959783728 /nfs/dbraw/zinc/78/37/28/959783728.db2.gz DAMUHXGEHCNFSW-DZFGPLHGSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc(C)c(C)c3)C2)CC[N@H+]1C ZINC000969705771 959783738 /nfs/dbraw/zinc/78/37/38/959783738.db2.gz DAMUHXGEHCNFSW-DZFGPLHGSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1ccnc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1Cl ZINC001279378618 960084897 /nfs/dbraw/zinc/08/48/97/960084897.db2.gz CKYGAPKNHYVELZ-LJQANCHMSA-N 1 3 350.938 2.893 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000313077792 972521814 /nfs/dbraw/zinc/52/18/14/972521814.db2.gz WMAOEIPKMSZESE-YLJYHZDGSA-N 1 3 367.493 2.551 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCc1cccs1 ZINC001104288061 961839702 /nfs/dbraw/zinc/83/97/02/961839702.db2.gz SBEJTNODRHXWPF-IAGOWNOFSA-N 1 3 363.571 2.849 20 0 FFADHO Cc1nc(C)c(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCN2C)s1 ZINC001087134828 963077834 /nfs/dbraw/zinc/07/78/34/963077834.db2.gz HOOOQDCSNIIDJR-XOKHGSTOSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1ncsc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322644 963291362 /nfs/dbraw/zinc/29/13/62/963291362.db2.gz VVZUUCUPGMGFSS-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cccn1C1CC[NH2+]CC1 ZINC000390735426 964101196 /nfs/dbraw/zinc/10/11/96/964101196.db2.gz HQGSWXYNCWCIPJ-HXUWFJFHSA-N 1 3 366.509 2.807 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000664339273 964160031 /nfs/dbraw/zinc/16/00/31/964160031.db2.gz FPPQOLMQPHBRQJ-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000664339273 964160035 /nfs/dbraw/zinc/16/00/35/964160035.db2.gz FPPQOLMQPHBRQJ-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(C)c(F)c3)C2)CC[N@@H+]1C ZINC000971568561 964184564 /nfs/dbraw/zinc/18/45/64/964184564.db2.gz ZUKAIIVXJBSOEP-CMKODMSKSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(C)c(F)c3)C2)CC[N@H+]1C ZINC000971568561 964184570 /nfs/dbraw/zinc/18/45/70/964184570.db2.gz ZUKAIIVXJBSOEP-CMKODMSKSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H](NCc2nccs2)C(C)C)CC[N@@H+]1C ZINC001276122219 1013484068 /nfs/dbraw/zinc/48/40/68/1013484068.db2.gz AVAPFJVVDDSKAT-GVDBMIGSSA-N 1 3 366.575 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H](NCc2nccs2)C(C)C)CC[N@H+]1C ZINC001276122219 1013484075 /nfs/dbraw/zinc/48/40/75/1013484075.db2.gz AVAPFJVVDDSKAT-GVDBMIGSSA-N 1 3 366.575 2.836 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)[C@H](N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000648167868 965523380 /nfs/dbraw/zinc/52/33/80/965523380.db2.gz BMAHCTZVWGQBPA-VLCRHTCISA-N 1 3 365.521 2.973 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)[C@H](N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000648167868 965523393 /nfs/dbraw/zinc/52/33/93/965523393.db2.gz BMAHCTZVWGQBPA-VLCRHTCISA-N 1 3 365.521 2.973 20 0 FFADHO CN(C)C(=O)Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167981637 965638378 /nfs/dbraw/zinc/63/83/78/965638378.db2.gz CMIITLLDTWOSQS-FRIKZZABSA-N 1 3 369.553 2.855 20 0 FFADHO CN(C)C(=O)Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981637 965638388 /nfs/dbraw/zinc/63/83/88/965638388.db2.gz CMIITLLDTWOSQS-FRIKZZABSA-N 1 3 369.553 2.855 20 0 FFADHO CO[C@H]1CC[C@@H]([NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001167529204 966077515 /nfs/dbraw/zinc/07/75/15/966077515.db2.gz DLXCEDOCGXRABP-RTWAWAEBSA-N 1 3 373.541 2.514 20 0 FFADHO Cc1ncsc1-c1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000657350344 966248777 /nfs/dbraw/zinc/24/87/77/966248777.db2.gz UVYYMNXBYUNZAD-GOSISDBHSA-N 1 3 372.538 2.796 20 0 FFADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657400376 966409111 /nfs/dbraw/zinc/40/91/11/966409111.db2.gz LHAFGFJEIUJFBT-YPAWHYETSA-N 1 3 374.525 2.712 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C34CCC[NH+](CCC3)C4)cc2)CC1 ZINC000873826422 1013650772 /nfs/dbraw/zinc/65/07/72/1013650772.db2.gz PVBVWIPSUQUISI-UHFFFAOYSA-N 1 3 356.514 2.643 20 0 FFADHO Cc1cccnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001087212587 966576041 /nfs/dbraw/zinc/57/60/41/966576041.db2.gz IAESSVMRQSUSPT-NEWSRXKRSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cccnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001087212587 966576050 /nfs/dbraw/zinc/57/60/50/966576050.db2.gz IAESSVMRQSUSPT-NEWSRXKRSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001087214666 966632610 /nfs/dbraw/zinc/63/26/10/966632610.db2.gz HWQZORRNTFDXAU-XPGWFJOJSA-N 1 3 360.546 2.755 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccsc3)cc2)C1 ZINC000657597279 966937023 /nfs/dbraw/zinc/93/70/23/966937023.db2.gz SAMKBHAAJRONAM-IBGZPJMESA-N 1 3 368.506 2.995 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccsc3)cc2)C1 ZINC000657597279 966937029 /nfs/dbraw/zinc/93/70/29/966937029.db2.gz SAMKBHAAJRONAM-IBGZPJMESA-N 1 3 368.506 2.995 20 0 FFADHO Cc1cn2c(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)c(C)nc2s1 ZINC000657596072 966942424 /nfs/dbraw/zinc/94/24/24/966942424.db2.gz UKRAFIWYAAMUKP-SFHVURJKSA-N 1 3 370.522 2.869 20 0 FFADHO Cc1cn2c(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)c(C)nc2s1 ZINC000657596072 966942429 /nfs/dbraw/zinc/94/24/29/966942429.db2.gz UKRAFIWYAAMUKP-SFHVURJKSA-N 1 3 370.522 2.869 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnn(CC4CCC4)c3)CC2)CC1 ZINC000894979217 967139739 /nfs/dbraw/zinc/13/97/39/967139739.db2.gz SPHGCMGFKPGAFI-UHFFFAOYSA-N 1 3 359.562 2.675 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cnn(CC4CCC4)c3)CC2)CC1 ZINC000894979217 967139746 /nfs/dbraw/zinc/13/97/46/967139746.db2.gz SPHGCMGFKPGAFI-UHFFFAOYSA-N 1 3 359.562 2.675 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnn(CC4CCC4)c3)CC2)CC1 ZINC000894979217 967139751 /nfs/dbraw/zinc/13/97/51/967139751.db2.gz SPHGCMGFKPGAFI-UHFFFAOYSA-N 1 3 359.562 2.675 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)C2)C1 ZINC000650706700 967551451 /nfs/dbraw/zinc/55/14/51/967551451.db2.gz QURKRGOXCVYYPD-ILZDJORESA-N 1 3 358.461 2.730 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707872 967555620 /nfs/dbraw/zinc/55/56/20/967555620.db2.gz OQQZEDBUXGLLPY-XKGZKEIXSA-N 1 3 355.482 2.962 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC001029313767 967690814 /nfs/dbraw/zinc/69/08/14/967690814.db2.gz NWPJJDNNEDHXOH-VPRICQMDSA-N 1 3 371.500 2.828 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC001029313767 967690819 /nfs/dbraw/zinc/69/08/19/967690819.db2.gz NWPJJDNNEDHXOH-VPRICQMDSA-N 1 3 371.500 2.828 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483729 967751290 /nfs/dbraw/zinc/75/12/90/967751290.db2.gz KCIOSVFQJPLDHB-FQEVSTJZSA-N 1 3 356.514 2.823 20 0 FFADHO CC(=O)NCc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000665235132 967789671 /nfs/dbraw/zinc/78/96/71/967789671.db2.gz QDULMVXUUKCXLO-IFMALSPDSA-N 1 3 365.477 2.668 20 0 FFADHO CN(Cc1cnc(-c2ccncc2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457213 968224128 /nfs/dbraw/zinc/22/41/28/968224128.db2.gz LAYGBCBHZORYEA-SFHVURJKSA-N 1 3 371.554 2.805 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCc1ccccc1F ZINC001087578038 968232289 /nfs/dbraw/zinc/23/22/89/968232289.db2.gz XCVLFGXJOQVQGK-WSTLGDPDSA-N 1 3 361.505 2.678 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCc1ccccc1F ZINC001087578038 968232295 /nfs/dbraw/zinc/23/22/95/968232295.db2.gz XCVLFGXJOQVQGK-WSTLGDPDSA-N 1 3 361.505 2.678 20 0 FFADHO Cc1cnc(CNC[C@]23CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C3)s1 ZINC001112519199 968590005 /nfs/dbraw/zinc/59/00/05/968590005.db2.gz YXKRIYXSUANLJB-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001024446942 968913179 /nfs/dbraw/zinc/91/31/79/968913179.db2.gz LVDYHIRGSNQGTD-NSISKUIASA-N 1 3 368.525 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001024446942 968913187 /nfs/dbraw/zinc/91/31/87/968913187.db2.gz LVDYHIRGSNQGTD-NSISKUIASA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1cccc(OC)c1 ZINC001087796825 969103261 /nfs/dbraw/zinc/10/32/61/969103261.db2.gz NUIDOTULBZOGKH-YZGWKJHDSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1cccc(OC)c1 ZINC001087796825 969103271 /nfs/dbraw/zinc/10/32/71/969103271.db2.gz NUIDOTULBZOGKH-YZGWKJHDSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1cc(F)ccc1C ZINC001087799376 969115103 /nfs/dbraw/zinc/11/51/03/969115103.db2.gz QZGRPDJPWYHWMJ-RBUKOAKNSA-N 1 3 359.489 2.699 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659035866 969653139 /nfs/dbraw/zinc/65/31/39/969653139.db2.gz OALWVGQRBMHHPH-IBGZPJMESA-N 1 3 360.502 2.591 20 0 FFADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659037385 969655669 /nfs/dbraw/zinc/65/56/69/969655669.db2.gz IEOTWRLBWRXXJE-LJQANCHMSA-N 1 3 362.518 2.933 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659045409 969662584 /nfs/dbraw/zinc/66/25/84/969662584.db2.gz WASDXKMDCFAYDE-PMACEKPBSA-N 1 3 374.529 2.980 20 0 FFADHO CC(C)CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641416 970010218 /nfs/dbraw/zinc/01/02/18/970010218.db2.gz QVOBFFNHNKSAKH-VAMGGRTRSA-N 1 3 369.594 2.710 20 0 FFADHO CCOCc1nc(C)cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000892697617 970058118 /nfs/dbraw/zinc/05/81/18/970058118.db2.gz VNSVKAXELOERRE-UHFFFAOYSA-N 1 3 361.534 2.684 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2cnoc2C)C1)[NH+](CC)CC ZINC001104667260 970068439 /nfs/dbraw/zinc/06/84/39/970068439.db2.gz HWTBQJQRKFLOTD-SZVBFZGTSA-N 1 3 364.534 2.678 20 0 FFADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC/C(Cl)=C/Cl)C2)C1 ZINC001104678774 970088404 /nfs/dbraw/zinc/08/84/04/970088404.db2.gz BHYLIQCBUYTWIW-XMDUVCJISA-N 1 3 362.345 2.721 20 0 FFADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC/C(Cl)=C/Cl)C2)C1 ZINC001104678774 970088407 /nfs/dbraw/zinc/08/84/07/970088407.db2.gz BHYLIQCBUYTWIW-XMDUVCJISA-N 1 3 362.345 2.721 20 0 FFADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681967 970094958 /nfs/dbraw/zinc/09/49/58/970094958.db2.gz UZVPDXKDMVQXDZ-HLIPFELVSA-N 1 3 355.542 2.929 20 0 FFADHO Cc1ccc(C)c(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001104729124 970181435 /nfs/dbraw/zinc/18/14/35/970181435.db2.gz OTGXRVSHWOXXKC-QZTJIDSGSA-N 1 3 354.498 2.843 20 0 FFADHO CN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665363128 970363937 /nfs/dbraw/zinc/36/39/37/970363937.db2.gz SZEGRWFIKQEQKU-OALUTQOASA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665363128 970363950 /nfs/dbraw/zinc/36/39/50/970363950.db2.gz SZEGRWFIKQEQKU-OALUTQOASA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665363129 970365954 /nfs/dbraw/zinc/36/59/54/970365954.db2.gz SZEGRWFIKQEQKU-RBUKOAKNSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665363129 970365964 /nfs/dbraw/zinc/36/59/64/970365964.db2.gz SZEGRWFIKQEQKU-RBUKOAKNSA-N 1 3 358.530 2.775 20 0 FFADHO COc1ccc2nccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000893047401 970537149 /nfs/dbraw/zinc/53/71/49/970537149.db2.gz MWIBICDXWSQMPP-JXFKEZNVSA-N 1 3 354.498 2.706 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000893059613 970549675 /nfs/dbraw/zinc/54/96/75/970549675.db2.gz GMTMHBURSKURRF-YLJYHZDGSA-N 1 3 358.530 2.948 20 0 FFADHO COCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753752 970678290 /nfs/dbraw/zinc/67/82/90/970678290.db2.gz RKKXUHUHHYLVQI-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000895498575 970682740 /nfs/dbraw/zinc/68/27/40/970682740.db2.gz QQVSQPKNMCHQIJ-LJQANCHMSA-N 1 3 363.421 2.559 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]2C1)N(C)C ZINC001088109642 972838130 /nfs/dbraw/zinc/83/81/30/972838130.db2.gz PMYQEUQWUZXHQU-FSSWDIPSSA-N 1 3 369.553 2.796 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]2C1)N(C)C ZINC001088109642 972838140 /nfs/dbraw/zinc/83/81/40/972838140.db2.gz PMYQEUQWUZXHQU-FSSWDIPSSA-N 1 3 369.553 2.796 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121187 972917193 /nfs/dbraw/zinc/91/71/93/972917193.db2.gz SJHTYYBVTBEEAA-UXHICEINSA-N 1 3 366.509 2.538 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121187 972917202 /nfs/dbraw/zinc/91/72/02/972917202.db2.gz SJHTYYBVTBEEAA-UXHICEINSA-N 1 3 366.509 2.538 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661100787 973578557 /nfs/dbraw/zinc/57/85/57/973578557.db2.gz WGOAADDCOZGTCP-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661100787 973578562 /nfs/dbraw/zinc/57/85/62/973578562.db2.gz WGOAADDCOZGTCP-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]2C1 ZINC001088212843 973682530 /nfs/dbraw/zinc/68/25/30/973682530.db2.gz VLUHTVFAWYPAHD-FSSWDIPSSA-N 1 3 369.553 2.884 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]2C1 ZINC001088212843 973682537 /nfs/dbraw/zinc/68/25/37/973682537.db2.gz VLUHTVFAWYPAHD-FSSWDIPSSA-N 1 3 369.553 2.884 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000662729659 973829229 /nfs/dbraw/zinc/82/92/29/973829229.db2.gz JFUAWJQQVNPGSV-YADHBBJMSA-N 1 3 357.542 2.704 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000662729694 973840737 /nfs/dbraw/zinc/84/07/37/973840737.db2.gz QAKVJGBPHRFXMJ-VXKWHMMOSA-N 1 3 357.542 2.704 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CCNCc2cnoc2C)CC[N@@H+]1C ZINC001271534505 973843526 /nfs/dbraw/zinc/84/35/26/973843526.db2.gz JXMFNPDIIYMCMO-CEXWTWQISA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CCNCc2cnoc2C)CC[N@H+]1C ZINC001271534505 973843535 /nfs/dbraw/zinc/84/35/35/973843535.db2.gz JXMFNPDIIYMCMO-CEXWTWQISA-N 1 3 362.518 2.574 20 0 FFADHO O=C(NCCN1CCCCC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000045193120 974065352 /nfs/dbraw/zinc/06/53/52/974065352.db2.gz SVPADZGEVOSDKU-UHFFFAOYSA-N 1 3 358.530 2.958 20 0 FFADHO Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665758738 974089853 /nfs/dbraw/zinc/08/98/53/974089853.db2.gz NUNKDPJGIJZWLM-OALUTQOASA-N 1 3 362.562 2.839 20 0 FFADHO Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665758738 974089867 /nfs/dbraw/zinc/08/98/67/974089867.db2.gz NUNKDPJGIJZWLM-OALUTQOASA-N 1 3 362.562 2.839 20 0 FFADHO Cc1cccc([C@@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2)c1 ZINC000665761116 974094860 /nfs/dbraw/zinc/09/48/60/974094860.db2.gz XRVLPPMZPOLCJU-AZUAARDMSA-N 1 3 360.546 2.766 20 0 FFADHO Cc1cccc([C@@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2)c1 ZINC000665761116 974094867 /nfs/dbraw/zinc/09/48/67/974094867.db2.gz XRVLPPMZPOLCJU-AZUAARDMSA-N 1 3 360.546 2.766 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000665762478 974097220 /nfs/dbraw/zinc/09/72/20/974097220.db2.gz FUIHRXICLGLCHU-SFHVURJKSA-N 1 3 358.530 2.757 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000665762478 974097228 /nfs/dbraw/zinc/09/72/28/974097228.db2.gz FUIHRXICLGLCHU-SFHVURJKSA-N 1 3 358.530 2.757 20 0 FFADHO Cc1ccc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC001027417020 974382349 /nfs/dbraw/zinc/38/23/49/974382349.db2.gz RZPWXEXFJLDGMG-NZSAHSFTSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC001027417020 974382352 /nfs/dbraw/zinc/38/23/52/974382352.db2.gz RZPWXEXFJLDGMG-NZSAHSFTSA-N 1 3 361.505 2.897 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000111491587 974698430 /nfs/dbraw/zinc/69/84/30/974698430.db2.gz GBZPHZMAOZTOPD-WIYYLYMNSA-N 1 3 370.541 2.648 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000652283196 974766696 /nfs/dbraw/zinc/76/66/96/974766696.db2.gz XXOSIXAYAHPKBD-UHFFFAOYSA-N 1 3 366.509 2.824 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000661856046 974877685 /nfs/dbraw/zinc/87/76/85/974877685.db2.gz DJGPDDPYUXALAC-ICSRJNTNSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000661856046 974877691 /nfs/dbraw/zinc/87/76/91/974877691.db2.gz DJGPDDPYUXALAC-ICSRJNTNSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)OCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529856 975366265 /nfs/dbraw/zinc/36/62/65/975366265.db2.gz RURMOFVESVDKRG-DYXWJJEUSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3ccccc3)C2)C1 ZINC001112530040 975371556 /nfs/dbraw/zinc/37/15/56/975371556.db2.gz ZYOQGWSJBAGOFW-RRPUWOKSSA-N 1 3 369.553 2.789 20 0 FFADHO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296857 975414510 /nfs/dbraw/zinc/41/45/10/975414510.db2.gz NXZADIGCVBVKQT-POAQFYNOSA-N 1 3 371.525 2.727 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000662446134 975552372 /nfs/dbraw/zinc/55/23/72/975552372.db2.gz XNGNZMQDUUABEE-KNQAVFIVSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000662446134 975552386 /nfs/dbraw/zinc/55/23/86/975552386.db2.gz XNGNZMQDUUABEE-KNQAVFIVSA-N 1 3 363.505 2.902 20 0 FFADHO CN(C(=O)CCNCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000663360915 975606714 /nfs/dbraw/zinc/60/67/14/975606714.db2.gz RKLUCZSLGSOMBE-UHFFFAOYSA-N 1 3 355.482 2.770 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596224 975730306 /nfs/dbraw/zinc/73/03/06/975730306.db2.gz HOIJKDANEOINCM-NHCUHLMSSA-N 1 3 370.541 2.532 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596226 975730583 /nfs/dbraw/zinc/73/05/83/975730583.db2.gz HOIJKDANEOINCM-RTWAWAEBSA-N 1 3 370.541 2.532 20 0 FFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662598010 975733887 /nfs/dbraw/zinc/73/38/87/975733887.db2.gz NXTLRDAXNHTSHO-LEWJYISDSA-N 1 3 355.526 2.889 20 0 FFADHO CC(C)(N)c1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)on1 ZINC000662703320 975846844 /nfs/dbraw/zinc/84/68/44/975846844.db2.gz GFBGTZFMNXXZLB-UHFFFAOYSA-N 1 3 374.510 2.712 20 0 FFADHO CC(C)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000663425309 975857609 /nfs/dbraw/zinc/85/76/09/975857609.db2.gz OYNOFDWXHDOBFN-HZPDHXFCSA-N 1 3 370.545 2.897 20 0 FFADHO CC(C)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000663425309 975857620 /nfs/dbraw/zinc/85/76/20/975857620.db2.gz OYNOFDWXHDOBFN-HZPDHXFCSA-N 1 3 370.545 2.897 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001112531241 975868487 /nfs/dbraw/zinc/86/84/87/975868487.db2.gz NGSRMLZLQWCZIL-ONTIZHBOSA-N 1 3 357.542 2.788 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001211695272 975886061 /nfs/dbraw/zinc/88/60/61/975886061.db2.gz UHIPZXAVKVPTPL-DLBZAZTESA-N 1 3 371.447 2.865 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cncc(C)c2)CC3)CC[N@@H+]1C ZINC000990758473 976911858 /nfs/dbraw/zinc/91/18/58/976911858.db2.gz ADCXPFAZVITGHK-IIZPIQPGSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cncc(C)c2)CC3)CC[N@H+]1C ZINC000990758473 976911869 /nfs/dbraw/zinc/91/18/69/976911869.db2.gz ADCXPFAZVITGHK-IIZPIQPGSA-N 1 3 370.541 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccc(F)cc2)CC3)CC[N@@H+]1C ZINC000990768099 977001087 /nfs/dbraw/zinc/00/10/87/977001087.db2.gz ZTLSHIYAWYUTLD-KBMWQNTOSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccc(F)cc2)CC3)CC[N@H+]1C ZINC000990768099 977001097 /nfs/dbraw/zinc/00/10/97/977001097.db2.gz ZTLSHIYAWYUTLD-KBMWQNTOSA-N 1 3 359.489 2.779 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000899223288 977031828 /nfs/dbraw/zinc/03/18/28/977031828.db2.gz DSKLWBMLAWKZEE-IBGZPJMESA-N 1 3 359.514 2.821 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000667793812 977049409 /nfs/dbraw/zinc/04/94/09/977049409.db2.gz OKXNMUJBHZYNNC-UHFFFAOYSA-N 1 3 371.529 2.847 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000667793812 977049417 /nfs/dbraw/zinc/04/94/17/977049417.db2.gz OKXNMUJBHZYNNC-UHFFFAOYSA-N 1 3 371.529 2.847 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C[N@@H+]1Cc1ccccc1 ZINC000667799277 977053030 /nfs/dbraw/zinc/05/30/30/977053030.db2.gz QZKXOCDZPSETOP-BEFAXECRSA-N 1 3 365.481 2.512 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C[N@H+]1Cc1ccccc1 ZINC000667799277 977053041 /nfs/dbraw/zinc/05/30/41/977053041.db2.gz QZKXOCDZPSETOP-BEFAXECRSA-N 1 3 365.481 2.512 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001211713178 977381039 /nfs/dbraw/zinc/38/10/39/977381039.db2.gz AMQVNHGQLHLJIV-RRIIRSAJSA-N 1 3 357.542 2.959 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)/C=C/[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000876897173 1014412121 /nfs/dbraw/zinc/41/21/21/1014412121.db2.gz QKHDICNYOLVLRV-BLGFXRMMSA-N 1 3 356.514 2.711 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001087455629 977775290 /nfs/dbraw/zinc/77/52/90/977775290.db2.gz DGMKBHMBNNCFDM-HUYLIWGRSA-N 1 3 361.505 2.848 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087455629 977775295 /nfs/dbraw/zinc/77/52/95/977775295.db2.gz DGMKBHMBNNCFDM-HUYLIWGRSA-N 1 3 361.505 2.848 20 0 FFADHO COC(=O)c1cccc2c(C[NH2+]C3CCN(CC4CC4)CC3)ccnc12 ZINC000876946658 1014428731 /nfs/dbraw/zinc/42/87/31/1014428731.db2.gz NVNFPIBVTMHLEF-UHFFFAOYSA-N 1 3 353.466 2.985 20 0 FFADHO CC1(C)CC(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C4CC4)N4CCCC4)[C@@H]3C2)C1 ZINC001076086041 979094043 /nfs/dbraw/zinc/09/40/43/979094043.db2.gz MIQUALOFWBZMNE-XUVXKRRUSA-N 1 3 359.558 2.830 20 0 FFADHO CC1(C)CC(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C4CC4)N4CCCC4)[C@@H]3C2)C1 ZINC001076086041 979094054 /nfs/dbraw/zinc/09/40/54/979094054.db2.gz MIQUALOFWBZMNE-XUVXKRRUSA-N 1 3 359.558 2.830 20 0 FFADHO COc1cccc([C@H](C)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001076204029 979221367 /nfs/dbraw/zinc/22/13/67/979221367.db2.gz OJXBKFPXGGLUHF-NBHGPNQESA-N 1 3 371.525 2.631 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c1 ZINC001076242361 979274337 /nfs/dbraw/zinc/27/43/37/979274337.db2.gz BFCLYAIHGGDTMA-TYCQWZJGSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c1 ZINC001076242361 979274341 /nfs/dbraw/zinc/27/43/41/979274341.db2.gz BFCLYAIHGGDTMA-TYCQWZJGSA-N 1 3 355.526 2.678 20 0 FFADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076243731 979276037 /nfs/dbraw/zinc/27/60/37/979276037.db2.gz FKGJMQAGKVTHBF-LEWJYISDSA-N 1 3 355.526 2.903 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324287 979383277 /nfs/dbraw/zinc/38/32/77/979383277.db2.gz QQIFFZZOJHROKJ-SESVDKBCSA-N 1 3 355.526 2.984 20 0 FFADHO O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000877402358 1014572656 /nfs/dbraw/zinc/57/26/56/1014572656.db2.gz CKMBNOUUSYOSGJ-VQTJNVASSA-N 1 3 370.541 2.722 20 0 FFADHO C[C@H]1NCCn2c(-c3nc(-c4cccc(OCC[NH+](C)C)c4)no3)ccc21 ZINC000904601748 980307518 /nfs/dbraw/zinc/30/75/18/980307518.db2.gz GSTFZQKVBDGUJK-CQSZACIVSA-N 1 3 367.453 2.810 20 0 FFADHO COCc1ccccc1/C=C(\C)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746868 1014706045 /nfs/dbraw/zinc/70/60/45/1014706045.db2.gz ZXFNCEFFKFOPHN-KNTRCKAVSA-N 1 3 357.542 2.948 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000907332347 981227219 /nfs/dbraw/zinc/22/72/19/981227219.db2.gz UQOVLFUBTDNTGR-XLIONFOSSA-N 1 3 371.525 2.771 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000907332347 981227222 /nfs/dbraw/zinc/22/72/22/981227222.db2.gz UQOVLFUBTDNTGR-XLIONFOSSA-N 1 3 371.525 2.771 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(OC)c3C)[C@@H]2C)CC[N@@H+]1C ZINC001088579506 981291264 /nfs/dbraw/zinc/29/12/64/981291264.db2.gz LXWIZRJKTOJUJL-BTHPGYMESA-N 1 3 373.541 2.813 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(OC)c3C)[C@@H]2C)CC[N@H+]1C ZINC001088579506 981291271 /nfs/dbraw/zinc/29/12/71/981291271.db2.gz LXWIZRJKTOJUJL-BTHPGYMESA-N 1 3 373.541 2.813 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCOC2CCCCCC2)CC[N@@H+]1C ZINC001483340861 981784119 /nfs/dbraw/zinc/78/41/19/981784119.db2.gz XCGPBYSJTJRAJR-YSIASYRMSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCOC2CCCCCC2)CC[N@H+]1C ZINC001483340861 981784124 /nfs/dbraw/zinc/78/41/24/981784124.db2.gz XCGPBYSJTJRAJR-YSIASYRMSA-N 1 3 367.578 2.893 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001272168400 981946122 /nfs/dbraw/zinc/94/61/22/981946122.db2.gz WKADDDWJXIYTCX-UHFFFAOYSA-N 1 3 358.408 2.609 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001272168400 981946126 /nfs/dbraw/zinc/94/61/26/981946126.db2.gz WKADDDWJXIYTCX-UHFFFAOYSA-N 1 3 358.408 2.609 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[N@H+](C)C(C)(C)CC3)cc2)CC1 ZINC000878021544 1014817138 /nfs/dbraw/zinc/81/71/38/1014817138.db2.gz JQJNYBOEWQPPTQ-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[N@@H+](C)C(C)(C)CC3)cc2)CC1 ZINC000878021544 1014817149 /nfs/dbraw/zinc/81/71/49/1014817149.db2.gz JQJNYBOEWQPPTQ-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000897587615 982352868 /nfs/dbraw/zinc/35/28/68/982352868.db2.gz ZBACFYMVHCXHAS-HXUWFJFHSA-N 1 3 359.514 2.725 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000897626559 982439886 /nfs/dbraw/zinc/43/98/86/982439886.db2.gz RMMXVNIBDHTJAY-QLOJAFMTSA-N 1 3 359.514 2.867 20 0 FFADHO C[NH+]1CCC(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000878204166 1014911779 /nfs/dbraw/zinc/91/17/79/1014911779.db2.gz JKTAENWSCSODQX-OAQYLSRUSA-N 1 3 351.494 2.770 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000072999730 983980673 /nfs/dbraw/zinc/98/06/73/983980673.db2.gz QFLBHHVCEFGRIN-UHFFFAOYSA-N 1 3 373.541 2.896 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000912401100 984029002 /nfs/dbraw/zinc/02/90/02/984029002.db2.gz AXYGRLQAMRGHTM-FQEVSTJZSA-N 1 3 358.530 2.532 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000912401100 984029008 /nfs/dbraw/zinc/02/90/08/984029008.db2.gz AXYGRLQAMRGHTM-FQEVSTJZSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000057165231 984483154 /nfs/dbraw/zinc/48/31/54/984483154.db2.gz DJJVYLKRTCVDOB-LJQANCHMSA-N 1 3 358.530 2.778 20 0 FFADHO CN(CCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Cc1ccccc1 ZINC000669406109 984535732 /nfs/dbraw/zinc/53/57/32/984535732.db2.gz LEVIWMOYXNKAGU-UXHICEINSA-N 1 3 358.530 2.540 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC(C)C)CC2)N(C)C ZINC001107451624 984555422 /nfs/dbraw/zinc/55/54/22/984555422.db2.gz ZAGKFSWCSJPYGZ-QWFCFKBJSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOC(C)C)CC2)N(C)C ZINC001107451624 984555426 /nfs/dbraw/zinc/55/54/26/984555426.db2.gz ZAGKFSWCSJPYGZ-QWFCFKBJSA-N 1 3 353.551 2.503 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC)CC2 ZINC001107581489 984742484 /nfs/dbraw/zinc/74/24/84/984742484.db2.gz CEUCBMLNEFFWHV-TZIWHRDSSA-N 1 3 367.578 2.896 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC)CC2 ZINC001107581489 984742490 /nfs/dbraw/zinc/74/24/90/984742490.db2.gz CEUCBMLNEFFWHV-TZIWHRDSSA-N 1 3 367.578 2.896 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccccc1 ZINC000669545931 984760504 /nfs/dbraw/zinc/76/05/04/984760504.db2.gz ZNGOHMIXOCFZKG-PMACEKPBSA-N 1 3 350.466 2.534 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2 ZINC001107621806 984878687 /nfs/dbraw/zinc/87/86/87/984878687.db2.gz XAQGGZXTNGSPHS-TZIWHRDSSA-N 1 3 352.482 2.822 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2 ZINC001107621806 984878705 /nfs/dbraw/zinc/87/87/05/984878705.db2.gz XAQGGZXTNGSPHS-TZIWHRDSSA-N 1 3 352.482 2.822 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000654725221 985345291 /nfs/dbraw/zinc/34/52/91/985345291.db2.gz DOGSHUVKNKUFFJ-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000654725221 985345304 /nfs/dbraw/zinc/34/53/04/985345304.db2.gz DOGSHUVKNKUFFJ-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753618 985716930 /nfs/dbraw/zinc/71/69/30/985716930.db2.gz HPECPMHEKPSBNU-KKXDTOCCSA-N 1 3 359.470 2.952 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001089058707 986135831 /nfs/dbraw/zinc/13/58/31/986135831.db2.gz FJEIIEXPCYNDFO-KDOFPFPSSA-N 1 3 365.468 2.986 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CC1CC(F)(F)C1 ZINC001089058707 986135832 /nfs/dbraw/zinc/13/58/32/986135832.db2.gz FJEIIEXPCYNDFO-KDOFPFPSSA-N 1 3 365.468 2.986 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406244 986185680 /nfs/dbraw/zinc/18/56/80/986185680.db2.gz MGJMDJAYMRWFRC-VAMGGRTRSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406244 986185683 /nfs/dbraw/zinc/18/56/83/986185683.db2.gz MGJMDJAYMRWFRC-VAMGGRTRSA-N 1 3 365.562 2.789 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC001007368782 1015201633 /nfs/dbraw/zinc/20/16/33/1015201633.db2.gz KRBSKJGMYNIQME-PCCBWWKXSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCc3ccc(C)cc3)C2)CC[N@H+]1C ZINC001007368782 1015201640 /nfs/dbraw/zinc/20/16/40/1015201640.db2.gz KRBSKJGMYNIQME-PCCBWWKXSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001089180643 986510072 /nfs/dbraw/zinc/51/00/72/986510072.db2.gz VWRNWJRALNXFNG-LSTHTHJFSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC001089180643 986510079 /nfs/dbraw/zinc/51/00/79/986510079.db2.gz VWRNWJRALNXFNG-LSTHTHJFSA-N 1 3 361.505 2.979 20 0 FFADHO COc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)c1 ZINC000921760895 986935441 /nfs/dbraw/zinc/93/54/41/986935441.db2.gz UGHJKRSXNHLHCG-UHFFFAOYSA-N 1 3 355.482 2.585 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001106133681 987065355 /nfs/dbraw/zinc/06/53/55/987065355.db2.gz PFXGYYZFFMWFRE-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)CN(C)C ZINC000922139714 987732946 /nfs/dbraw/zinc/73/29/46/987732946.db2.gz KEKKKZPSXVMLRY-SJORKVTESA-N 1 3 369.550 2.722 20 0 FFADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212495407 987760458 /nfs/dbraw/zinc/76/04/58/987760458.db2.gz DVEMWNBKNKCCGD-QZTJIDSGSA-N 1 3 371.541 2.595 20 0 FFADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212495407 987760461 /nfs/dbraw/zinc/76/04/61/987760461.db2.gz DVEMWNBKNKCCGD-QZTJIDSGSA-N 1 3 371.541 2.595 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCc1ccccc1F ZINC001106255844 987768927 /nfs/dbraw/zinc/76/89/27/987768927.db2.gz KWULZTRUWZMFOX-SJLPKXTDSA-N 1 3 361.505 2.537 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001106256020 987770109 /nfs/dbraw/zinc/77/01/09/987770109.db2.gz ULYPZSQWTPJYHF-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212498006 987778082 /nfs/dbraw/zinc/77/80/82/987778082.db2.gz YXSKXASOCHKQNF-FBYXPACISA-N 1 3 365.562 2.669 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212498006 987778085 /nfs/dbraw/zinc/77/80/85/987778085.db2.gz YXSKXASOCHKQNF-FBYXPACISA-N 1 3 365.562 2.669 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCOC2CCCCCC2)[C@H](C)C1)N(C)C ZINC001106312998 987945852 /nfs/dbraw/zinc/94/58/52/987945852.db2.gz RRGFJKWJPIDTBS-QWFCFKBJSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)cc2)[C@H](C)C1 ZINC001106339291 987981410 /nfs/dbraw/zinc/98/14/10/987981410.db2.gz DJZKXCQKWPJWQT-SJLPKXTDSA-N 1 3 361.530 2.610 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085196485 988043215 /nfs/dbraw/zinc/04/32/15/988043215.db2.gz AVJDZSCEMOBMEY-GUDVDZBRSA-N 1 3 362.518 2.627 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085196485 988043228 /nfs/dbraw/zinc/04/32/28/988043228.db2.gz AVJDZSCEMOBMEY-GUDVDZBRSA-N 1 3 362.518 2.627 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000922386477 988541203 /nfs/dbraw/zinc/54/12/03/988541203.db2.gz HPILOBWOEPOWEL-MXEMCNAFSA-N 1 3 372.488 2.581 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000922386477 988541206 /nfs/dbraw/zinc/54/12/06/988541206.db2.gz HPILOBWOEPOWEL-MXEMCNAFSA-N 1 3 372.488 2.581 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC000922391716 988549003 /nfs/dbraw/zinc/54/90/03/988549003.db2.gz YPIHCYNSMRNRKE-VXIBKDFQSA-N 1 3 372.431 2.996 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC000922391716 988549016 /nfs/dbraw/zinc/54/90/16/988549016.db2.gz YPIHCYNSMRNRKE-VXIBKDFQSA-N 1 3 372.431 2.996 20 0 FFADHO CN(C)c1ccnc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000922481230 988624670 /nfs/dbraw/zinc/62/46/70/988624670.db2.gz RMVIYNNRLWTBAD-UHFFFAOYSA-N 1 3 354.498 2.912 20 0 FFADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)cc1 ZINC001106704744 988726766 /nfs/dbraw/zinc/72/67/66/988726766.db2.gz AZYHJOYXPCJTLX-OGWOLHLISA-N 1 3 358.461 2.927 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001033097113 988792426 /nfs/dbraw/zinc/79/24/26/988792426.db2.gz WEVXLJMRZUTGDO-FDFHNCONSA-N 1 3 369.553 2.938 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001033097113 988792434 /nfs/dbraw/zinc/79/24/34/988792434.db2.gz WEVXLJMRZUTGDO-FDFHNCONSA-N 1 3 369.553 2.938 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](CNCc2cc(C)no2)[C@H](C)C1)C(C)C ZINC001106778166 989032566 /nfs/dbraw/zinc/03/25/66/989032566.db2.gz BZSLVPULIHSDCX-SUMDDJOVSA-N 1 3 364.534 2.534 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC001106783316 989043849 /nfs/dbraw/zinc/04/38/49/989043849.db2.gz MGXKTXLTIMZWKN-XQBPLPMBSA-N 1 3 371.569 2.817 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2C)[C@H](C)C1 ZINC001106784132 989044801 /nfs/dbraw/zinc/04/48/01/989044801.db2.gz BVYDYJIVTZDDDY-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO COC1CCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000674323528 989660820 /nfs/dbraw/zinc/66/08/20/989660820.db2.gz FKCWCGQROCEKFK-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000675112364 990043771 /nfs/dbraw/zinc/04/37/71/990043771.db2.gz HRPYTXVBWAUHFQ-MISYRCLQSA-N 1 3 358.530 2.821 20 0 FFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348231 1015534756 /nfs/dbraw/zinc/53/47/56/1015534756.db2.gz YFRUIZBIILICNN-JLCRNFDHSA-N 1 3 373.541 2.779 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000675178683 990095803 /nfs/dbraw/zinc/09/58/03/990095803.db2.gz UQCGMPATFDIIMW-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000918119357 990339177 /nfs/dbraw/zinc/33/91/77/990339177.db2.gz JCGAMUPUQXECGG-GOSISDBHSA-N 1 3 372.557 2.997 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000675937861 990425196 /nfs/dbraw/zinc/42/51/96/990425196.db2.gz GCEOYDUQOWGDSK-IHPCNDPISA-N 1 3 365.562 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000675937861 990425198 /nfs/dbraw/zinc/42/51/98/990425198.db2.gz GCEOYDUQOWGDSK-IHPCNDPISA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](CCN1CCC[C@@H](n2ccnc2)C1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676250935 990524502 /nfs/dbraw/zinc/52/45/02/990524502.db2.gz ZIHSKGCLIKBSQK-AQNXPRMDSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CCN1CCC[C@@H](n2ccnc2)C1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676250935 990524508 /nfs/dbraw/zinc/52/45/08/990524508.db2.gz ZIHSKGCLIKBSQK-AQNXPRMDSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@@H](n2ccnc2)C1)N1CCC[C@H](n2ccnc2)C1 ZINC000676250935 990524517 /nfs/dbraw/zinc/52/45/17/990524517.db2.gz ZIHSKGCLIKBSQK-AQNXPRMDSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@@H](n2ccnc2)C1)N1CCC[C@H](n2ccnc2)C1 ZINC000676250935 990524526 /nfs/dbraw/zinc/52/45/26/990524526.db2.gz ZIHSKGCLIKBSQK-AQNXPRMDSA-N 1 3 356.518 2.832 20 0 FFADHO CCCOc1ccc(OCC[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000879591068 1015599305 /nfs/dbraw/zinc/59/93/05/1015599305.db2.gz PIJPPTCQBVRULB-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN([C@@H](C(=O)N1CCCCC1)c1ccccc1)CC2 ZINC000923456084 991151369 /nfs/dbraw/zinc/15/13/69/991151369.db2.gz WCDFLVUFOLSYRM-VQTJNVASSA-N 1 3 371.525 2.570 20 0 FFADHO O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000238102641 991470496 /nfs/dbraw/zinc/47/04/96/991470496.db2.gz CPMGIOYHUHIMAZ-LJQANCHMSA-N 1 3 372.513 2.972 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC001106909069 991471182 /nfs/dbraw/zinc/47/11/82/991471182.db2.gz CTSNFJAHHANGSG-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO CC(C)CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)CC1CC[NH+](C)CC1 ZINC000879704092 1015646607 /nfs/dbraw/zinc/64/66/07/1015646607.db2.gz KUVAQZKSIPMLFH-UHFFFAOYSA-N 1 3 373.501 2.507 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079159144 991863016 /nfs/dbraw/zinc/86/30/16/991863016.db2.gz LYNUFTZGXWNKTG-LSTHTHJFSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001079199844 991874739 /nfs/dbraw/zinc/87/47/39/991874739.db2.gz QOXYVNOMQGQCLX-ZCNNSNEGSA-N 1 3 361.505 2.850 20 0 FFADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1CN1CCCCC1 ZINC000182999309 992335795 /nfs/dbraw/zinc/33/57/95/992335795.db2.gz UHBSCKUVESGKBQ-APWZRJJASA-N 1 3 359.514 2.953 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037779 992688559 /nfs/dbraw/zinc/68/85/59/992688559.db2.gz UMOAMZQQCRYOSE-TZIWHRDSSA-N 1 3 369.553 2.993 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001080037779 992688562 /nfs/dbraw/zinc/68/85/62/992688562.db2.gz UMOAMZQQCRYOSE-TZIWHRDSSA-N 1 3 369.553 2.993 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC001107040500 993293243 /nfs/dbraw/zinc/29/32/43/993293243.db2.gz HDEPTYGTBHNQAX-WOIUINJBSA-N 1 3 371.569 2.816 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040520 993293362 /nfs/dbraw/zinc/29/33/62/993293362.db2.gz IDLHFDDXKAMRDH-WIYYLYMNSA-N 1 3 359.558 2.816 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080939640 993492356 /nfs/dbraw/zinc/49/23/56/993492356.db2.gz CYZCPWPHQDJZCR-UKPHBRMFSA-N 1 3 369.431 2.594 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080939640 993492361 /nfs/dbraw/zinc/49/23/61/993492361.db2.gz CYZCPWPHQDJZCR-UKPHBRMFSA-N 1 3 369.431 2.594 20 0 FFADHO COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)C1 ZINC001170549925 994094890 /nfs/dbraw/zinc/09/48/90/994094890.db2.gz LFFHOVBGKJHLTF-RTBURBONSA-N 1 3 357.498 2.711 20 0 FFADHO O=C(c1ccc(CN2CCCCC2)o1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001170559466 994203142 /nfs/dbraw/zinc/20/31/42/994203142.db2.gz SADWMGVVQRMKLH-LJQANCHMSA-N 1 3 367.493 2.922 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131609049 994456404 /nfs/dbraw/zinc/45/64/04/994456404.db2.gz XUBRMXBMOQBLFG-QUCCMNQESA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)Cc1ccccc1CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903460069 1015906641 /nfs/dbraw/zinc/90/66/41/1015906641.db2.gz WJWDFTNXXFTXCX-LEWJYISDSA-N 1 3 370.541 2.605 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2c(F)cccc2F)C1)N(C)C ZINC001082575074 994995994 /nfs/dbraw/zinc/99/59/94/994995994.db2.gz KEEWLBDQUZVDMB-ZMYBRWDISA-N 1 3 367.484 2.530 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000811520236 995163628 /nfs/dbraw/zinc/16/36/28/995163628.db2.gz LQQLGIWSXCHASH-YLJYHZDGSA-N 1 3 365.493 2.627 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000811520236 995163633 /nfs/dbraw/zinc/16/36/33/995163633.db2.gz LQQLGIWSXCHASH-YLJYHZDGSA-N 1 3 365.493 2.627 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1ccc(F)cc1F ZINC001082720036 995351238 /nfs/dbraw/zinc/35/12/38/995351238.db2.gz CLDOSCIJJHTDSI-PJIJBLCYSA-N 1 3 365.468 2.804 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC001082742874 995400243 /nfs/dbraw/zinc/40/02/43/995400243.db2.gz VDPSHVZQIFTPIF-CSODHUTKSA-N 1 3 355.526 2.842 20 0 FFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001082742942 995400610 /nfs/dbraw/zinc/40/06/10/995400610.db2.gz XQDCMIITVYCZSE-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C)s1 ZINC001082782526 995488303 /nfs/dbraw/zinc/48/83/03/995488303.db2.gz CTBVVYNOQDWXOE-IIDMSEBBSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001082821998 995576674 /nfs/dbraw/zinc/57/66/74/995576674.db2.gz CWNBRCMQWCEBHY-DNVCBOLYSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082863145 995670636 /nfs/dbraw/zinc/67/06/36/995670636.db2.gz NXJKPZOLTAGOPI-CXAGYDPISA-N 1 3 365.880 2.511 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1ccccc1Cl ZINC001082863690 995671884 /nfs/dbraw/zinc/67/18/84/995671884.db2.gz SQHLNEMMLRXUIN-IIDMSEBBSA-N 1 3 361.917 2.933 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2sc(C)nc2C)C1 ZINC001082943611 995881062 /nfs/dbraw/zinc/88/10/62/995881062.db2.gz RTTHFUZQFOEUIB-XYPHTWIQSA-N 1 3 364.559 2.571 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001082943401 995881080 /nfs/dbraw/zinc/88/10/80/995881080.db2.gz HEIMVRALYFVNIQ-MAODMQOUSA-N 1 3 371.525 2.528 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccc(Cl)cc2)C1 ZINC001096538192 1016001124 /nfs/dbraw/zinc/00/11/24/1016001124.db2.gz AHWLQDHZMUPSCR-NQYYFHDYSA-N 1 3 361.917 2.556 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccc(Cl)cc2)C1 ZINC001096538192 1016001137 /nfs/dbraw/zinc/00/11/37/1016001137.db2.gz AHWLQDHZMUPSCR-NQYYFHDYSA-N 1 3 361.917 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001049479794 1016003115 /nfs/dbraw/zinc/00/31/15/1016003115.db2.gz BWCLIVOYWGZXQL-XCLNPWKQSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccc(F)cc2)CC[N@H+]1C ZINC001049479794 1016003123 /nfs/dbraw/zinc/00/31/23/1016003123.db2.gz BWCLIVOYWGZXQL-XCLNPWKQSA-N 1 3 359.489 2.731 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC000679376853 1016026572 /nfs/dbraw/zinc/02/65/72/1016026572.db2.gz IXENFCZHDLHGSW-QHAWAJNXSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC000679376853 1016026583 /nfs/dbraw/zinc/02/65/83/1016026583.db2.gz IXENFCZHDLHGSW-QHAWAJNXSA-N 1 3 370.541 2.949 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)c(C)s1 ZINC001084355034 996481576 /nfs/dbraw/zinc/48/15/76/996481576.db2.gz BIJXLZCBABCJPS-YCEFEEMOSA-N 1 3 361.555 2.738 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)c(C)s1 ZINC001084355034 996481578 /nfs/dbraw/zinc/48/15/78/996481578.db2.gz BIJXLZCBABCJPS-YCEFEEMOSA-N 1 3 361.555 2.738 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)cc1 ZINC001084355115 996481714 /nfs/dbraw/zinc/48/17/14/996481714.db2.gz GJOUONAZUUHPPL-QYRPDUKASA-N 1 3 355.526 2.622 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)cc1 ZINC001084355115 996481717 /nfs/dbraw/zinc/48/17/17/996481717.db2.gz GJOUONAZUUHPPL-QYRPDUKASA-N 1 3 355.526 2.622 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21)[NH+](C)C ZINC001084639329 996745524 /nfs/dbraw/zinc/74/55/24/996745524.db2.gz OCLDZCYZKQNQEF-GUDVDZBRSA-N 1 3 363.571 2.800 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc4[nH]cnc4c3)C2)C1 ZINC001137043836 997400547 /nfs/dbraw/zinc/40/05/47/997400547.db2.gz HPWKGMVXSNWBKL-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc4[nH]cnc4c3)C2)C1 ZINC001137043836 997400556 /nfs/dbraw/zinc/40/05/56/997400556.db2.gz HPWKGMVXSNWBKL-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc4nc[nH]c4c3)C2)C1 ZINC001137043836 997400561 /nfs/dbraw/zinc/40/05/61/997400561.db2.gz HPWKGMVXSNWBKL-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc4nc[nH]c4c3)C2)C1 ZINC001137043836 997400569 /nfs/dbraw/zinc/40/05/69/997400569.db2.gz HPWKGMVXSNWBKL-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1C(F)(F)F ZINC001143351176 997416460 /nfs/dbraw/zinc/41/64/60/997416460.db2.gz SWHNABNTOZMVLZ-DLBZAZTESA-N 1 3 371.447 2.924 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1C(F)(F)F ZINC001143351176 997416469 /nfs/dbraw/zinc/41/64/69/997416469.db2.gz SWHNABNTOZMVLZ-DLBZAZTESA-N 1 3 371.447 2.924 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084831257 997577518 /nfs/dbraw/zinc/57/75/18/997577518.db2.gz FAURLYQYSJIQDF-SFHLNBCPSA-N 1 3 353.510 2.548 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084831257 997577526 /nfs/dbraw/zinc/57/75/26/997577526.db2.gz FAURLYQYSJIQDF-SFHLNBCPSA-N 1 3 353.510 2.548 20 0 FFADHO CC[C@@H](C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)N(CC)CC ZINC000844163666 997688083 /nfs/dbraw/zinc/68/80/83/997688083.db2.gz RFAUMEPYLPYNGK-SFHVURJKSA-N 1 3 361.486 2.654 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000844225725 997714978 /nfs/dbraw/zinc/71/49/78/997714978.db2.gz SYNKVJNKWITJRF-GUDVDZBRSA-N 1 3 370.541 2.935 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844224503 997715352 /nfs/dbraw/zinc/71/53/52/997715352.db2.gz GBYCKIIJJYCGBD-ZWKOTPCHSA-N 1 3 356.514 2.547 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](N[C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171112435 997738430 /nfs/dbraw/zinc/73/84/30/997738430.db2.gz KPMRFVPVIXHGDO-IKGGRYGDSA-N 1 3 365.905 2.734 20 0 FFADHO CN(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](C/C=C/c3ccccc3)[C@H]2C1)C1CC1 ZINC001084958037 998353695 /nfs/dbraw/zinc/35/36/95/998353695.db2.gz JEZZXIBDJMGMNA-IEORGTSWSA-N 1 3 367.537 2.963 20 0 FFADHO CN(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C/C=C/c3ccccc3)[C@H]2C1)C1CC1 ZINC001084958037 998353702 /nfs/dbraw/zinc/35/37/02/998353702.db2.gz JEZZXIBDJMGMNA-IEORGTSWSA-N 1 3 367.537 2.963 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001085217730 999185456 /nfs/dbraw/zinc/18/54/56/999185456.db2.gz NWCCRNJTXYNBBE-QRVBRYPASA-N 1 3 362.493 2.612 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001085217730 999185458 /nfs/dbraw/zinc/18/54/58/999185458.db2.gz NWCCRNJTXYNBBE-QRVBRYPASA-N 1 3 362.493 2.612 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1cscn1)c1ccn2c[nH+]cc2c1 ZINC001085260564 999273947 /nfs/dbraw/zinc/27/39/47/999273947.db2.gz SWSGYQSJUWYVSL-IAGOWNOFSA-N 1 3 355.467 2.622 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)N2CCCC2)s1 ZINC001085295511 999313221 /nfs/dbraw/zinc/31/32/21/999313221.db2.gz KEQPDHFDKVYZLR-IAGOWNOFSA-N 1 3 364.559 2.843 20 0 FFADHO Cc1ccc(CCCN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001085605622 999587309 /nfs/dbraw/zinc/58/73/09/999587309.db2.gz OGUNAFKEILUYGK-HLAWJBBLSA-N 1 3 357.542 2.801 20 0 FFADHO Cc1ccc(CCCN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001085605622 999587311 /nfs/dbraw/zinc/58/73/11/999587311.db2.gz OGUNAFKEILUYGK-HLAWJBBLSA-N 1 3 357.542 2.801 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000743077353 999797523 /nfs/dbraw/zinc/79/75/23/999797523.db2.gz CYLCXKSAPZJQQK-PXNSSMCTSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000743077353 999797524 /nfs/dbraw/zinc/79/75/24/999797524.db2.gz CYLCXKSAPZJQQK-PXNSSMCTSA-N 1 3 373.545 2.775 20 0 FFADHO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000745948943 999937873 /nfs/dbraw/zinc/93/78/73/999937873.db2.gz ZRBGMPFFSHPYOM-PKOBYXMFSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000745948943 999937876 /nfs/dbraw/zinc/93/78/76/999937876.db2.gz ZRBGMPFFSHPYOM-PKOBYXMFSA-N 1 3 358.530 2.887 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)[C@@H](C)C2)cc1 ZINC001169140690 1000027087 /nfs/dbraw/zinc/02/70/87/1000027087.db2.gz LJCLDTLWZVLTDP-DVWBAYGPSA-N 1 3 371.525 2.605 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)[C@@H](C)C2)cc1 ZINC001169140690 1000027089 /nfs/dbraw/zinc/02/70/89/1000027089.db2.gz LJCLDTLWZVLTDP-DVWBAYGPSA-N 1 3 371.525 2.605 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001169910060 1000085677 /nfs/dbraw/zinc/08/56/77/1000085677.db2.gz PGVGHCHVXZMEPA-OAQYLSRUSA-N 1 3 373.541 2.599 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846807473 1000446100 /nfs/dbraw/zinc/44/61/00/1000446100.db2.gz VCKIYGOWOGGOEC-XLIONFOSSA-N 1 3 369.550 2.555 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846807473 1000446104 /nfs/dbraw/zinc/44/61/04/1000446104.db2.gz VCKIYGOWOGGOEC-XLIONFOSSA-N 1 3 369.550 2.555 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001109635709 1000761124 /nfs/dbraw/zinc/76/11/24/1000761124.db2.gz OFCCDDZIBXZDIL-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001109635709 1000761130 /nfs/dbraw/zinc/76/11/30/1000761130.db2.gz OFCCDDZIBXZDIL-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1C ZINC001109649851 1000778767 /nfs/dbraw/zinc/77/87/67/1000778767.db2.gz HLSYCBCMLSCYSD-AABGKKOBSA-N 1 3 355.526 2.867 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCOCC1)N(C)C ZINC001109688273 1000850357 /nfs/dbraw/zinc/85/03/57/1000850357.db2.gz FZIGULTUMPHJFC-FUMNGEBKSA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCOCC1)N(C)C ZINC001109688273 1000850363 /nfs/dbraw/zinc/85/03/63/1000850363.db2.gz FZIGULTUMPHJFC-FUMNGEBKSA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001091667598 1000991015 /nfs/dbraw/zinc/99/10/15/1000991015.db2.gz WMAURLMYQHLJBZ-GIWBLDEGSA-N 1 3 369.553 2.882 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001091667598 1000991025 /nfs/dbraw/zinc/99/10/25/1000991025.db2.gz WMAURLMYQHLJBZ-GIWBLDEGSA-N 1 3 369.553 2.882 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738480 1001184754 /nfs/dbraw/zinc/18/47/54/1001184754.db2.gz ZVSCEDFCMGYXBF-NWSQWKLXSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738480 1001184757 /nfs/dbraw/zinc/18/47/57/1001184757.db2.gz ZVSCEDFCMGYXBF-NWSQWKLXSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnccc3N(C)C)C2)o1 ZINC001086855257 1001264898 /nfs/dbraw/zinc/26/48/98/1001264898.db2.gz PLAORPXGXVFWBL-HRCADAONSA-N 1 3 371.485 2.693 20 0 FFADHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCc1ccccc1 ZINC001110007036 1001295129 /nfs/dbraw/zinc/29/51/29/1001295129.db2.gz GCPIDURIYBUWQO-HKBOAZHASA-N 1 3 373.541 2.657 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000772293785 1001350869 /nfs/dbraw/zinc/35/08/69/1001350869.db2.gz TXOYUFMNWBYCNS-INIZCTEOSA-N 1 3 361.530 2.943 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786810349 1001631662 /nfs/dbraw/zinc/63/16/62/1001631662.db2.gz UBNYQCHKHXLWLF-KSZLIROESA-N 1 3 374.529 2.756 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](OCC)C1 ZINC001087096364 1001784852 /nfs/dbraw/zinc/78/48/52/1001784852.db2.gz JXTDTCQHWUTVQU-HSALFYBXSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1)N(C)C ZINC001091782832 1001909006 /nfs/dbraw/zinc/90/90/06/1001909006.db2.gz IMWHIWLSFROIIW-UZKOGDIHSA-N 1 3 368.525 2.788 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1)N(C)C ZINC001091782832 1001909015 /nfs/dbraw/zinc/90/90/15/1001909015.db2.gz IMWHIWLSFROIIW-UZKOGDIHSA-N 1 3 368.525 2.788 20 0 FFADHO CNC(=O)[C@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182470696 1001926636 /nfs/dbraw/zinc/92/66/36/1001926636.db2.gz QMVBJBQSSVINKZ-SIKLNZKXSA-N 1 3 357.542 2.993 20 0 FFADHO CNC(=O)[C@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182470696 1001926639 /nfs/dbraw/zinc/92/66/39/1001926639.db2.gz QMVBJBQSSVINKZ-SIKLNZKXSA-N 1 3 357.542 2.993 20 0 FFADHO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1)[C@@H](C1CC1)N1CCCC1 ZINC001086600956 1002756238 /nfs/dbraw/zinc/75/62/38/1002756238.db2.gz ZSVYNDCFCHVJTQ-BHDDXSALSA-N 1 3 367.537 2.855 20 0 FFADHO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1)[C@@H](C1CC1)N1CCCC1 ZINC001086600956 1002756248 /nfs/dbraw/zinc/75/62/48/1002756248.db2.gz ZSVYNDCFCHVJTQ-BHDDXSALSA-N 1 3 367.537 2.855 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000775009619 1003286408 /nfs/dbraw/zinc/28/64/08/1003286408.db2.gz QKBMLAFUGWEWHR-PXNSSMCTSA-N 1 3 355.482 2.768 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001092676492 1003403232 /nfs/dbraw/zinc/40/32/32/1003403232.db2.gz AMCVITDOTXSALI-GASMYZAPSA-N 1 3 353.938 2.830 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001092676492 1003403239 /nfs/dbraw/zinc/40/32/39/1003403239.db2.gz AMCVITDOTXSALI-GASMYZAPSA-N 1 3 353.938 2.830 20 0 FFADHO C[NH+](C)CCC(=O)N1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001197048209 1004046182 /nfs/dbraw/zinc/04/61/82/1004046182.db2.gz AJLXNJARSGFOEB-HKUYNNGSSA-N 1 3 365.468 2.521 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197221882 1004130575 /nfs/dbraw/zinc/13/05/75/1004130575.db2.gz VCJNNVGTRYOCHC-OXJNMPFZSA-N 1 3 371.566 2.562 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197221882 1004130581 /nfs/dbraw/zinc/13/05/81/1004130581.db2.gz VCJNNVGTRYOCHC-OXJNMPFZSA-N 1 3 371.566 2.562 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3nccc4nccnc43)c3ccccc23)CC1 ZINC001170526269 1004607369 /nfs/dbraw/zinc/60/73/69/1004607369.db2.gz XEWOXDGRCDCTRU-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cnc4[nH]ccc4n3)c3ccccc23)CC1 ZINC001170528900 1004641005 /nfs/dbraw/zinc/64/10/05/1004641005.db2.gz XDMFGFISGOSZAV-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO FC(F)(F)CC[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001202329173 1005341142 /nfs/dbraw/zinc/34/11/42/1005341142.db2.gz PQWQIUKAJBCMRG-UHFFFAOYSA-N 1 3 357.420 2.948 20 0 FFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001488540013 1005360352 /nfs/dbraw/zinc/36/03/52/1005360352.db2.gz SREGHVKFPJLLPC-OXQOHEQNSA-N 1 3 360.546 2.790 20 0 FFADHO Cc1nc(C(C)C)ccc1CN(C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001490195298 1005670922 /nfs/dbraw/zinc/67/09/22/1005670922.db2.gz FZDIIBOGPLETBH-IEBWSBKVSA-N 1 3 360.546 2.792 20 0 FFADHO Cc1nc(C(C)C)ccc1CN(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001490195298 1005670924 /nfs/dbraw/zinc/67/09/24/1005670924.db2.gz FZDIIBOGPLETBH-IEBWSBKVSA-N 1 3 360.546 2.792 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000852186536 1005949178 /nfs/dbraw/zinc/94/91/78/1005949178.db2.gz FHUNDOMSUADMJU-VSZNYVQBSA-N 1 3 371.566 2.559 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000852186536 1005949180 /nfs/dbraw/zinc/94/91/80/1005949180.db2.gz FHUNDOMSUADMJU-VSZNYVQBSA-N 1 3 371.566 2.559 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000813824646 1006046038 /nfs/dbraw/zinc/04/60/38/1006046038.db2.gz ZTUYYOWIQWHCGE-MMOPVJDHSA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000813824646 1006046051 /nfs/dbraw/zinc/04/60/51/1006046051.db2.gz ZTUYYOWIQWHCGE-MMOPVJDHSA-N 1 3 361.505 2.978 20 0 FFADHO O=C1OCCN1c1cccc2c1CCN(Cc1cccc3c1CC[NH2+]C3)C2 ZINC000852745955 1006166946 /nfs/dbraw/zinc/16/69/46/1006166946.db2.gz FKQHHVXRQMVALZ-UHFFFAOYSA-N 1 3 363.461 2.847 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cc1 ZINC001097101486 1017039438 /nfs/dbraw/zinc/03/94/38/1017039438.db2.gz RAXDVRUQRDTBRO-WEUUYRGXSA-N 1 3 355.526 2.811 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)cc1 ZINC001097101486 1017039447 /nfs/dbraw/zinc/03/94/47/1017039447.db2.gz RAXDVRUQRDTBRO-WEUUYRGXSA-N 1 3 355.526 2.811 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2cccs2)CC[N@@H+]1C ZINC001097104484 1017043513 /nfs/dbraw/zinc/04/35/13/1017043513.db2.gz ZBWRJBKNYXTWPJ-QTUASDBPSA-N 1 3 361.555 2.742 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2cccs2)CC[N@H+]1C ZINC001097104484 1017043526 /nfs/dbraw/zinc/04/35/26/1017043526.db2.gz ZBWRJBKNYXTWPJ-QTUASDBPSA-N 1 3 361.555 2.742 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cccc3c2CCOC3)C1 ZINC000883085484 1006636323 /nfs/dbraw/zinc/63/63/23/1006636323.db2.gz SJIRYXUVLOSGBG-NRFANRHFSA-N 1 3 352.478 2.616 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc3c2CCOC3)C1 ZINC000883085484 1006636329 /nfs/dbraw/zinc/63/63/29/1006636329.db2.gz SJIRYXUVLOSGBG-NRFANRHFSA-N 1 3 352.478 2.616 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@H]3CCCC3(F)F)CC2)CC1 ZINC000883248396 1006717978 /nfs/dbraw/zinc/71/79/78/1006717978.db2.gz RINDZGGEOLNDMK-OAHLLOKOSA-N 1 3 372.504 2.670 20 0 FFADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000131902689 1006806468 /nfs/dbraw/zinc/80/64/68/1006806468.db2.gz KZFKDLBGYYUBSU-KRWDZBQOSA-N 1 3 363.502 2.726 20 0 FFADHO CCc1cccc(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001188962823 1006823049 /nfs/dbraw/zinc/82/30/49/1006823049.db2.gz HGTRDTSSFDCOSD-VQTJNVASSA-N 1 3 355.526 2.624 20 0 FFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC001188979479 1006858539 /nfs/dbraw/zinc/85/85/39/1006858539.db2.gz OFNVORWHCPIGJU-PKOBYXMFSA-N 1 3 355.482 2.807 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c(C)s1 ZINC001188978928 1006858664 /nfs/dbraw/zinc/85/86/64/1006858664.db2.gz GQWQQIUJHRMIQW-FUHWJXTLSA-N 1 3 361.555 2.739 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]21)N(CC)CC ZINC001189109815 1006888298 /nfs/dbraw/zinc/88/82/98/1006888298.db2.gz FTPOAZCEBHGSKI-QXAKKESOSA-N 1 3 363.571 2.944 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21)N(CC)CC ZINC001189109815 1006888315 /nfs/dbraw/zinc/88/83/15/1006888315.db2.gz FTPOAZCEBHGSKI-QXAKKESOSA-N 1 3 363.571 2.944 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc4ncccc4c3)C[C@H]21 ZINC001189659610 1007218472 /nfs/dbraw/zinc/21/84/72/1007218472.db2.gz FFZPCLAJTKIEBI-PZJWPPBQSA-N 1 3 366.509 2.609 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc4ncccc4c3)C[C@H]21 ZINC001189659610 1007218479 /nfs/dbraw/zinc/21/84/79/1007218479.db2.gz FFZPCLAJTKIEBI-PZJWPPBQSA-N 1 3 366.509 2.609 20 0 FFADHO CN(C)C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000856168984 1007708485 /nfs/dbraw/zinc/70/84/85/1007708485.db2.gz AROSLDMKLWPPAX-IBGZPJMESA-N 1 3 355.526 2.889 20 0 FFADHO CN(C)C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000856168984 1007708495 /nfs/dbraw/zinc/70/84/95/1007708495.db2.gz AROSLDMKLWPPAX-IBGZPJMESA-N 1 3 355.526 2.889 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)ccn1 ZINC000856586558 1007900607 /nfs/dbraw/zinc/90/06/07/1007900607.db2.gz SKROOYWZYXXIEU-OAQYLSRUSA-N 1 3 360.546 2.862 20 0 FFADHO CC(=O)N(C)c1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000858250375 1008333054 /nfs/dbraw/zinc/33/30/54/1008333054.db2.gz LNQSQKPLKYZMHX-UHFFFAOYSA-N 1 3 355.482 2.900 20 0 FFADHO CN(Cc1ccc2nonc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821387930 1008450743 /nfs/dbraw/zinc/45/07/43/1008450743.db2.gz ZBZKFKDFBLDRFF-UHFFFAOYSA-N 1 3 351.454 2.757 20 0 FFADHO CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCN(CCc2ccccn2)CC1 ZINC001136566071 1008553746 /nfs/dbraw/zinc/55/37/46/1008553746.db2.gz VIGDBKDLJNLIIS-WIYYLYMNSA-N 1 3 372.557 2.667 20 0 FFADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)ccn1 ZINC000886160159 1008592827 /nfs/dbraw/zinc/59/28/27/1008592827.db2.gz LJNKMXIPWCBXNV-HXUWFJFHSA-N 1 3 359.514 2.611 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCCCCNCc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001178521793 1009017322 /nfs/dbraw/zinc/01/73/22/1009017322.db2.gz FAGMGAWABGOMOW-CRAIPNDOSA-N 1 3 362.518 2.658 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCCCCNCc2cc(C3CC3)no2)CC[N@H+]1C ZINC001178521793 1009017340 /nfs/dbraw/zinc/01/73/40/1009017340.db2.gz FAGMGAWABGOMOW-CRAIPNDOSA-N 1 3 362.518 2.658 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc4nsnc43)cc2)C1 ZINC001179123959 1009266329 /nfs/dbraw/zinc/26/63/29/1009266329.db2.gz ZMZDPJPMSMQEGJ-KRWDZBQOSA-N 1 3 354.479 2.548 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4nsnc43)cc2)C1 ZINC001179123959 1009266339 /nfs/dbraw/zinc/26/63/39/1009266339.db2.gz ZMZDPJPMSMQEGJ-KRWDZBQOSA-N 1 3 354.479 2.548 20 0 FFADHO COc1nc(OC)c(CN2CCC(C[NH3+])(c3ccccc3)CC2)cc1C ZINC001206761012 1032413993 /nfs/dbraw/zinc/41/39/93/1032413993.db2.gz QXYNYKLFHVETQO-UHFFFAOYSA-N 1 3 355.482 2.900 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001093024888 1009638621 /nfs/dbraw/zinc/63/86/21/1009638621.db2.gz IEHNRALMSXYOBB-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001093024888 1009638627 /nfs/dbraw/zinc/63/86/27/1009638627.db2.gz IEHNRALMSXYOBB-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862275005 1009779687 /nfs/dbraw/zinc/77/96/87/1009779687.db2.gz IUDRGOWZILKXLN-QAPCUYQASA-N 1 3 367.534 2.617 20 0 FFADHO C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132954 1009972709 /nfs/dbraw/zinc/97/27/09/1009972709.db2.gz IDEXUJAAYYOWBZ-NVXWUHKLSA-N 1 3 361.917 2.620 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000889769230 1010104278 /nfs/dbraw/zinc/10/42/78/1010104278.db2.gz KGWBVOXHZWABSA-RTWAWAEBSA-N 1 3 373.541 2.590 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000889769230 1010104282 /nfs/dbraw/zinc/10/42/82/1010104282.db2.gz KGWBVOXHZWABSA-RTWAWAEBSA-N 1 3 373.541 2.590 20 0 FFADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110142902 1010213204 /nfs/dbraw/zinc/21/32/04/1010213204.db2.gz QFYSDNMQTBGCQE-AABGKKOBSA-N 1 3 359.514 2.510 20 0 FFADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110142902 1010213209 /nfs/dbraw/zinc/21/32/09/1010213209.db2.gz QFYSDNMQTBGCQE-AABGKKOBSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001093286991 1010220550 /nfs/dbraw/zinc/22/05/50/1010220550.db2.gz HUCHAOPESUBJSL-AKCHCHLHSA-N 1 3 370.472 2.853 20 0 FFADHO Cc1cc2cc(CN3CCC(N4C(=O)O[C@H]5C[NH2+]C[C@H]54)CC3)oc2cc1C ZINC000863642075 1010271650 /nfs/dbraw/zinc/27/16/50/1010271650.db2.gz JIPCLAAMCVFVLW-QUCCMNQESA-N 1 3 369.465 2.807 20 0 FFADHO CCCCC[N@H+](C)CCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001181869601 1010288414 /nfs/dbraw/zinc/28/84/14/1010288414.db2.gz XUEOBEKLBLJISO-UHFFFAOYSA-N 1 3 360.546 2.922 20 0 FFADHO CCCCC[N@@H+](C)CCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001181869601 1010288423 /nfs/dbraw/zinc/28/84/23/1010288423.db2.gz XUEOBEKLBLJISO-UHFFFAOYSA-N 1 3 360.546 2.922 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1sccc1Cl ZINC001093673215 1010456217 /nfs/dbraw/zinc/45/62/17/1010456217.db2.gz MDBZMYXWXOQQQJ-UMVBOHGHSA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001093770466 1010542497 /nfs/dbraw/zinc/54/24/97/1010542497.db2.gz RFUSBMLVHZKMHZ-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC001093820381 1010591892 /nfs/dbraw/zinc/59/18/92/1010591892.db2.gz JNCJRRCCSKXTSP-POAQFYNOSA-N 1 3 355.526 2.842 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001093824051 1010595304 /nfs/dbraw/zinc/59/53/04/1010595304.db2.gz FKRYXWUQEFTHDG-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001093824051 1010595308 /nfs/dbraw/zinc/59/53/08/1010595308.db2.gz FKRYXWUQEFTHDG-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO C[NH+]1CCC(CNCc2cc3c(cc[nH]c3=O)o2)(N2CCCCC2)CC1 ZINC000865477571 1010794732 /nfs/dbraw/zinc/79/47/32/1010794732.db2.gz VUNMTMGGCKZAEL-UHFFFAOYSA-N 1 3 358.486 2.573 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccns2)[C@H](C)C1 ZINC001094088979 1010849472 /nfs/dbraw/zinc/84/94/72/1010849472.db2.gz ZIAHWQGDDKEMAL-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(-n2cncn2)c1 ZINC000866432590 1010994314 /nfs/dbraw/zinc/99/43/14/1010994314.db2.gz RDIGZVZUBKCIFE-FXAWDEMLSA-N 1 3 362.481 2.663 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(-n2cncn2)c1 ZINC000866432590 1010994317 /nfs/dbraw/zinc/99/43/17/1010994317.db2.gz RDIGZVZUBKCIFE-FXAWDEMLSA-N 1 3 362.481 2.663 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000866667034 1011034329 /nfs/dbraw/zinc/03/43/29/1011034329.db2.gz ZAYJOCYBIFNHMJ-HBMCJLEFSA-N 1 3 373.541 2.955 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001094413998 1011098885 /nfs/dbraw/zinc/09/88/85/1011098885.db2.gz OTHMVYIKRFFWNF-MFAZZRGVSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001094413998 1011098890 /nfs/dbraw/zinc/09/88/90/1011098890.db2.gz OTHMVYIKRFFWNF-MFAZZRGVSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2 ZINC001094413998 1011098894 /nfs/dbraw/zinc/09/88/94/1011098894.db2.gz OTHMVYIKRFFWNF-MFAZZRGVSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001094413998 1011098901 /nfs/dbraw/zinc/09/89/01/1011098901.db2.gz OTHMVYIKRFFWNF-MFAZZRGVSA-N 1 3 353.938 2.973 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)[C@@H](c2ccccc2)C1 ZINC001094520060 1011185680 /nfs/dbraw/zinc/18/56/80/1011185680.db2.gz WZKHADQAMOMZBR-XAPVIXHLSA-N 1 3 373.516 2.662 20 0 FFADHO C[N@H+]1C[C@H](C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)[C@@H](c2ccccc2)C1 ZINC001094520060 1011185683 /nfs/dbraw/zinc/18/56/83/1011185683.db2.gz WZKHADQAMOMZBR-XAPVIXHLSA-N 1 3 373.516 2.662 20 0 FFADHO C[NH+](C)C1(C)CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000868170844 1011189378 /nfs/dbraw/zinc/18/93/78/1011189378.db2.gz NJEALBINGARZFV-FDYSRKEFSA-N 1 3 360.502 2.732 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000868172299 1011190042 /nfs/dbraw/zinc/19/00/42/1011190042.db2.gz WJIBJPUPQISHNB-HXUWFJFHSA-N 1 3 374.529 2.980 20 0 FFADHO CCCN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCN(C)C1 ZINC000645158367 1011363019 /nfs/dbraw/zinc/36/30/19/1011363019.db2.gz UXPZMYAWWXNJGL-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO CCC[NH+](CCC)CC(=O)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001274470827 1011457733 /nfs/dbraw/zinc/45/77/33/1011457733.db2.gz ARWVGYJLSRQOSD-OAQYLSRUSA-N 1 3 360.546 2.951 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000645473257 1011494681 /nfs/dbraw/zinc/49/46/81/1011494681.db2.gz WPAWEGXDHZUCJA-OAQYLSRUSA-N 1 3 351.494 2.772 20 0 FFADHO COC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000645490687 1011501872 /nfs/dbraw/zinc/50/18/72/1011501872.db2.gz LWVZYKPNFBRSTM-NHCUHLMSSA-N 1 3 358.526 2.930 20 0 FFADHO CC1(C)C[C@H](NCCNC(=O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171965971 1011541721 /nfs/dbraw/zinc/54/17/21/1011541721.db2.gz KKAKUIWIEPHIAK-HXUWFJFHSA-N 1 3 366.509 2.844 20 0 FFADHO CC1(C)C[C@H](NCCNC(=O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171965971 1011541737 /nfs/dbraw/zinc/54/17/37/1011541737.db2.gz KKAKUIWIEPHIAK-HXUWFJFHSA-N 1 3 366.509 2.844 20 0 FFADHO CC1(C)C[C@H](NCC2(N3CCCC3)COC2)CC[N@@H+]1Cc1ccccc1 ZINC001171971359 1011569202 /nfs/dbraw/zinc/56/92/02/1011569202.db2.gz GZWBCENCNHGKCS-HXUWFJFHSA-N 1 3 357.542 2.884 20 0 FFADHO CC1(C)C[C@H](NCC2(N3CCCC3)COC2)CC[N@H+]1Cc1ccccc1 ZINC001171971359 1011569215 /nfs/dbraw/zinc/56/92/15/1011569215.db2.gz GZWBCENCNHGKCS-HXUWFJFHSA-N 1 3 357.542 2.884 20 0 FFADHO CC(=O)N1CCC2(C[NH+]([C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171984515 1011576647 /nfs/dbraw/zinc/57/66/47/1011576647.db2.gz MMEKGAMACJITES-HXUWFJFHSA-N 1 3 355.526 2.984 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]31)C2 ZINC001172114478 1011644659 /nfs/dbraw/zinc/64/46/59/1011644659.db2.gz CWDFLTNIYNUBRD-MKUJHJDCSA-N 1 3 371.525 2.955 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]31)C2 ZINC001172114478 1011644664 /nfs/dbraw/zinc/64/46/64/1011644664.db2.gz CWDFLTNIYNUBRD-MKUJHJDCSA-N 1 3 371.525 2.955 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CCN12 ZINC001172148011 1011664856 /nfs/dbraw/zinc/66/48/56/1011664856.db2.gz UHPXANGVCLLQPB-XIYVOTBMSA-N 1 3 353.510 2.640 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172158188 1011671491 /nfs/dbraw/zinc/67/14/91/1011671491.db2.gz KEXURMZHGJDUEX-SJORKVTESA-N 1 3 361.917 2.829 20 0 FFADHO O=C1CC[C@H]2C[C@@H]([NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)CCN12 ZINC001172177424 1011684419 /nfs/dbraw/zinc/68/44/19/1011684419.db2.gz ITBZMFTWFDDRFD-PMACEKPBSA-N 1 3 368.525 2.523 20 0 FFADHO CCOC(=O)CC1(NC2CC[NH+](CCCOC)CC2)Cc2ccccc2C1 ZINC001172244992 1011719063 /nfs/dbraw/zinc/71/90/63/1011719063.db2.gz LSMPORRFYPWKLO-UHFFFAOYSA-N 1 3 374.525 2.568 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H]2CSc3cccc(OC)c3C2)CC1 ZINC001172249607 1011720198 /nfs/dbraw/zinc/72/01/98/1011720198.db2.gz LFUAQZMODPYKRH-INIZCTEOSA-N 1 3 350.528 2.803 20 0 FFADHO CN(Cc1ccccc1-c1ccnn1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000646196916 1011794746 /nfs/dbraw/zinc/79/47/46/1011794746.db2.gz CVZMWDYOIPXLJT-FQEVSTJZSA-N 1 3 367.541 2.687 20 0 FFADHO CN(Cc1ccccc1-c1ccnn1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000646196916 1011794753 /nfs/dbraw/zinc/79/47/53/1011794753.db2.gz CVZMWDYOIPXLJT-FQEVSTJZSA-N 1 3 367.541 2.687 20 0 FFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275069456 1011883861 /nfs/dbraw/zinc/88/38/61/1011883861.db2.gz QDZVBILJZNKVMH-VCOUNFBDSA-N 1 3 357.542 2.912 20 0 FFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275069456 1011883870 /nfs/dbraw/zinc/88/38/70/1011883870.db2.gz QDZVBILJZNKVMH-VCOUNFBDSA-N 1 3 357.542 2.912 20 0 FFADHO Cc1cc(CN2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)ccc1Cl ZINC001275080208 1011902316 /nfs/dbraw/zinc/90/23/16/1011902316.db2.gz ZSZFGIHOBWSQOG-KRWDZBQOSA-N 1 3 363.933 2.928 20 0 FFADHO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CC1 ZINC001172764835 1012001806 /nfs/dbraw/zinc/00/18/06/1012001806.db2.gz DAMCDDIXFDDHOZ-RXVVDRJESA-N 1 3 373.541 2.646 20 0 FFADHO CC[NH+](CC)C1CCC(n2nc(C(=O)N3CCCC3)c3c2CCNC3)CC1 ZINC001173112271 1012259288 /nfs/dbraw/zinc/25/92/88/1012259288.db2.gz ZKXOCBIWUAOGBZ-UHFFFAOYSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)N1CCC(Cc2ccccc2)CC1 ZINC000647055361 1012357632 /nfs/dbraw/zinc/35/76/32/1012357632.db2.gz WSDOLZCRUTUABX-FXAWDEMLSA-N 1 3 355.526 2.588 20 0 FFADHO CCCC[C@H](CC(C)C)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001173258848 1012375577 /nfs/dbraw/zinc/37/55/77/1012375577.db2.gz FBOULSGXXWCZCG-MRXNPFEDSA-N 1 3 364.534 2.929 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@H]3CC=CCC3)C2)C1=O ZINC001276358092 1012512174 /nfs/dbraw/zinc/51/21/74/1012512174.db2.gz AKIILWRJMYAUGW-AVRDEDQJSA-N 1 3 353.510 2.895 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@H]3CC=CCC3)C2)C1=O ZINC001276358092 1012512183 /nfs/dbraw/zinc/51/21/83/1012512183.db2.gz AKIILWRJMYAUGW-AVRDEDQJSA-N 1 3 353.510 2.895 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3ccnc(Cl)c3)CC2)C1=O ZINC001275541636 1012600142 /nfs/dbraw/zinc/60/01/42/1012600142.db2.gz OFDQWMHYKZVDMP-IBGZPJMESA-N 1 3 364.921 2.501 20 0 FFADHO CCOc1ccc(C)cc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001275670490 1012808078 /nfs/dbraw/zinc/80/80/78/1012808078.db2.gz VIWIPOTWQCYKTD-RTBURBONSA-N 1 3 359.514 2.521 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cc(Cl)ccc3Cl)C2)C1=O ZINC001275727305 1012932374 /nfs/dbraw/zinc/93/23/74/1012932374.db2.gz IUONWDBREJRJHG-GOSISDBHSA-N 1 3 370.324 2.979 20 0 FFADHO Cc1cc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c(C)cc1O ZINC001275770593 1012984629 /nfs/dbraw/zinc/98/46/29/1012984629.db2.gz JUYAIADYEBLMAN-NRFANRHFSA-N 1 3 359.514 2.528 20 0 FFADHO Cc1cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c(C)cc1O ZINC001275770593 1012984638 /nfs/dbraw/zinc/98/46/38/1012984638.db2.gz JUYAIADYEBLMAN-NRFANRHFSA-N 1 3 359.514 2.528 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097210264 1017195145 /nfs/dbraw/zinc/19/51/45/1017195145.db2.gz SNWKENDXVGYFHT-MLHJIOFPSA-N 1 3 369.500 2.731 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097210264 1017195150 /nfs/dbraw/zinc/19/51/50/1017195150.db2.gz SNWKENDXVGYFHT-MLHJIOFPSA-N 1 3 369.500 2.731 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1 ZINC000924931399 1017550715 /nfs/dbraw/zinc/55/07/15/1017550715.db2.gz ICMCTCMNDVDFFA-OCDPCBSRSA-N 1 3 362.514 2.691 20 0 FFADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-n2cnnn2)c1 ZINC000679722532 1017594589 /nfs/dbraw/zinc/59/45/89/1017594589.db2.gz DJKWGMAZZITNES-XYJFISCASA-N 1 3 354.502 2.966 20 0 FFADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(-n2cnnn2)c1 ZINC000679722532 1017594595 /nfs/dbraw/zinc/59/45/95/1017594595.db2.gz DJKWGMAZZITNES-XYJFISCASA-N 1 3 354.502 2.966 20 0 FFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925909496 1017895431 /nfs/dbraw/zinc/89/54/31/1017895431.db2.gz HXWPKBIEZBAJAG-AABGKKOBSA-N 1 3 373.545 2.733 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)c(C)s1 ZINC001097779345 1017920478 /nfs/dbraw/zinc/92/04/78/1017920478.db2.gz MTWWPHMEMDTYTK-QRVBRYPASA-N 1 3 361.555 2.928 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCOCC2(CCOCC2)C1 ZINC000680335567 1017934165 /nfs/dbraw/zinc/93/41/65/1017934165.db2.gz XGVWDGAQLFQDCV-UHFFFAOYSA-N 1 3 374.525 2.790 20 0 FFADHO O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000749115543 1018181963 /nfs/dbraw/zinc/18/19/63/1018181963.db2.gz YRTQAWIUCYOGQG-SJLPKXTDSA-N 1 3 374.460 2.512 20 0 FFADHO O[C@H](CN1CCCC1)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000749115543 1018181967 /nfs/dbraw/zinc/18/19/67/1018181967.db2.gz YRTQAWIUCYOGQG-SJLPKXTDSA-N 1 3 374.460 2.512 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)cc1CN1CCCCC1 ZINC000927134185 1018378209 /nfs/dbraw/zinc/37/82/09/1018378209.db2.gz HKESSFYUTJAJJZ-UZLBHIALSA-N 1 3 372.513 2.799 20 0 FFADHO Clc1ccccc1-c1ccc(CN2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222104615 1032761219 /nfs/dbraw/zinc/76/12/19/1032761219.db2.gz JKYRFLFOSORORE-UHFFFAOYSA-N 1 3 356.901 2.929 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](CC[C@H](C)CCCC(C)(C)O)C[C@@H]1CNCCC2 ZINC001222125973 1032769140 /nfs/dbraw/zinc/76/91/40/1032769140.db2.gz ZWOWASLAPAOIKO-LQWHRVPQSA-N 1 3 368.562 2.819 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](CC[C@H](C)CCCC(C)(C)O)C[C@@H]1CNCCC2 ZINC001222125973 1032769154 /nfs/dbraw/zinc/76/91/54/1032769154.db2.gz ZWOWASLAPAOIKO-LQWHRVPQSA-N 1 3 368.562 2.819 20 0 FFADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000681979686 1018659144 /nfs/dbraw/zinc/65/91/44/1018659144.db2.gz BHPIKIKDTDKQJD-WWDZGPRUSA-N 1 3 369.509 2.914 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN(CCO)C(C)(C)C3)c2cc1OCC ZINC000681992543 1018662338 /nfs/dbraw/zinc/66/23/38/1018662338.db2.gz KLWDWPBQRPFDRV-UHFFFAOYSA-N 1 3 373.497 2.925 20 0 FFADHO CCc1ccccc1CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956642 1019226374 /nfs/dbraw/zinc/22/63/74/1019226374.db2.gz REDQCGADSMTJNE-NJYVYQBISA-N 1 3 369.553 2.855 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1 ZINC001110960789 1019276241 /nfs/dbraw/zinc/27/62/41/1019276241.db2.gz IWINMVVVLZQQIX-QRVBRYPASA-N 1 3 363.933 2.946 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(COC[C@@H]2CCC3(C[NH2+]C3)O2)O1 ZINC001217797962 1032874464 /nfs/dbraw/zinc/87/44/64/1032874464.db2.gz GJPSYZYBSANOEK-FPOVZHCZSA-N 1 3 374.525 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001045781067 1020128066 /nfs/dbraw/zinc/12/80/66/1020128066.db2.gz UIKGBJFVYFFMLH-GEALJGNFSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccc(F)cc2)CC[N@H+]1C ZINC001045781067 1020128071 /nfs/dbraw/zinc/12/80/71/1020128071.db2.gz UIKGBJFVYFFMLH-GEALJGNFSA-N 1 3 359.489 2.731 20 0 FFADHO COC(=O)c1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(C)c1 ZINC000902809421 1020490450 /nfs/dbraw/zinc/49/04/50/1020490450.db2.gz SFZRHJRNIHFWJR-IAGOWNOFSA-N 1 3 360.498 2.933 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(OC)cc3)C2)CC[N@@H+]1C ZINC001046330875 1020595233 /nfs/dbraw/zinc/59/52/33/1020595233.db2.gz VMWNYPYSLAWNJV-ZVDOUQERSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(OC)cc3)C2)CC[N@H+]1C ZINC001046330875 1020595240 /nfs/dbraw/zinc/59/52/40/1020595240.db2.gz VMWNYPYSLAWNJV-ZVDOUQERSA-N 1 3 359.514 2.506 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903068650 1020660773 /nfs/dbraw/zinc/66/07/73/1020660773.db2.gz JTLSUDHOCKIVOI-LAUBAEHRSA-N 1 3 363.521 2.909 20 0 FFADHO CC(C)c1cccc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)n1 ZINC001074661929 1020662919 /nfs/dbraw/zinc/66/29/19/1020662919.db2.gz SVQURGONDMIPFI-HNAWSFBYSA-N 1 3 358.530 2.624 20 0 FFADHO CC(C)c1cccc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)n1 ZINC001074661929 1020662926 /nfs/dbraw/zinc/66/29/26/1020662926.db2.gz SVQURGONDMIPFI-HNAWSFBYSA-N 1 3 358.530 2.624 20 0 FFADHO C[C@H](CN1CCN(c2ccccc2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903099666 1020678488 /nfs/dbraw/zinc/67/84/88/1020678488.db2.gz LDZIHZMOTJDTRF-CWCBLRDESA-N 1 3 368.569 2.945 20 0 FFADHO C[C@H](CN1CCN(c2ccccc2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903099666 1020678495 /nfs/dbraw/zinc/67/84/95/1020678495.db2.gz LDZIHZMOTJDTRF-CWCBLRDESA-N 1 3 368.569 2.945 20 0 FFADHO CN1CCN(CC[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1(C)C ZINC000903167665 1020718157 /nfs/dbraw/zinc/71/81/57/1020718157.db2.gz NVHUUQVOXKQWDS-FQEVSTJZSA-N 1 3 363.521 2.909 20 0 FFADHO CN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[C@@H]1CCCN(C)C1 ZINC000932420570 1020795456 /nfs/dbraw/zinc/79/54/56/1020795456.db2.gz AZHCQUQBSNWCAQ-UXHICEINSA-N 1 3 371.529 2.529 20 0 FFADHO CN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)[C@@H]1CCCN(C)C1 ZINC000932420570 1020795458 /nfs/dbraw/zinc/79/54/58/1020795458.db2.gz AZHCQUQBSNWCAQ-UXHICEINSA-N 1 3 371.529 2.529 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF)[NH+]1CCCC1 ZINC001111467278 1021949119 /nfs/dbraw/zinc/94/91/19/1021949119.db2.gz DDOCJFBTBVCLIS-AKHDSKFASA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)N1CCCC1 ZINC001111467278 1021949132 /nfs/dbraw/zinc/94/91/32/1021949132.db2.gz DDOCJFBTBVCLIS-AKHDSKFASA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)N1CCCC1 ZINC001111467278 1021949156 /nfs/dbraw/zinc/94/91/56/1021949156.db2.gz DDOCJFBTBVCLIS-AKHDSKFASA-N 1 3 353.526 2.968 20 0 FFADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515359 1033023033 /nfs/dbraw/zinc/02/30/33/1033023033.db2.gz PNKYFLAVSDJDCH-QGZVFWFLSA-N 1 3 357.542 2.717 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C/C=C/c2ccccc2)C3)C1 ZINC001099159954 1021967721 /nfs/dbraw/zinc/96/77/21/1021967721.db2.gz MMCKBJDKWRCNOQ-ZVRFWKBXSA-N 1 3 353.510 2.622 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C/C=C/c2ccccc2)C3)C1 ZINC001099159954 1021967732 /nfs/dbraw/zinc/96/77/32/1021967732.db2.gz MMCKBJDKWRCNOQ-ZVRFWKBXSA-N 1 3 353.510 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(Cc2cnccc2C)CC3)CC[N@@H+]1C ZINC001016631649 1022062520 /nfs/dbraw/zinc/06/25/20/1022062520.db2.gz XZLQSDSWKBDFRR-XUVXKRRUSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(Cc2cnccc2C)CC3)CC[N@H+]1C ZINC001016631649 1022062532 /nfs/dbraw/zinc/06/25/32/1022062532.db2.gz XZLQSDSWKBDFRR-XUVXKRRUSA-N 1 3 370.541 2.591 20 0 FFADHO COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)N2CCCC2)cc1 ZINC001118286598 1022160363 /nfs/dbraw/zinc/16/03/63/1022160363.db2.gz HBDTYQXVEJRZNV-UXHICEINSA-N 1 3 359.514 2.856 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCOC)C(C)C ZINC001111164449 1022163947 /nfs/dbraw/zinc/16/39/47/1022163947.db2.gz ZWJRTJITRDCCRQ-YSTOQKLRSA-N 1 3 367.578 2.891 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC000043179192 1022215861 /nfs/dbraw/zinc/21/58/61/1022215861.db2.gz GFPHFUZBFYFLOL-UHFFFAOYSA-N 1 3 360.546 2.675 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)c1cccc(OC)c1 ZINC001111234652 1022530337 /nfs/dbraw/zinc/53/03/37/1022530337.db2.gz NDUIGFRKLPCZKQ-ZSXHRAQDSA-N 1 3 359.514 2.820 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)c1cccc(OC)c1 ZINC001111234652 1022530341 /nfs/dbraw/zinc/53/03/41/1022530341.db2.gz NDUIGFRKLPCZKQ-ZSXHRAQDSA-N 1 3 359.514 2.820 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001099449254 1022545818 /nfs/dbraw/zinc/54/58/18/1022545818.db2.gz AQYLLDLZNFAUHV-ONTIZHBOSA-N 1 3 357.542 2.991 20 0 FFADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3cccn3C3CC3)cc2)CC1 ZINC001119283237 1022655080 /nfs/dbraw/zinc/65/50/80/1022655080.db2.gz QICMFLUWSAKRDK-UHFFFAOYSA-N 1 3 366.509 2.810 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2cccnc2)C3)CC[N@@H+]1C ZINC001040211171 1022806565 /nfs/dbraw/zinc/80/65/65/1022806565.db2.gz USWHHWGTSORQQY-TUNNFDKTSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2cccnc2)C3)CC[N@H+]1C ZINC001040211171 1022806580 /nfs/dbraw/zinc/80/65/80/1022806580.db2.gz USWHHWGTSORQQY-TUNNFDKTSA-N 1 3 370.541 2.626 20 0 FFADHO COc1ccc([C@@H](CNC(=O)c2coc(CN)c2)[NH+]2CCCCC2)cc1 ZINC000188028331 1022996582 /nfs/dbraw/zinc/99/65/82/1022996582.db2.gz GWFLSWRDJPKHJJ-LJQANCHMSA-N 1 3 357.454 2.704 20 0 FFADHO C[NH+]1C[C@]2(C)CN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@]2(C)C1 ZINC001119900857 1023152622 /nfs/dbraw/zinc/15/26/22/1023152622.db2.gz MGQWOQJPYBQRQD-NSISKUIASA-N 1 3 351.535 2.907 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])N(C)C)cc1 ZINC001120625398 1023393006 /nfs/dbraw/zinc/39/30/06/1023393006.db2.gz YKYOBUPEPBRPGX-IEZWGBDMSA-N 1 3 362.543 2.534 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc21 ZINC001121982941 1024233094 /nfs/dbraw/zinc/23/30/94/1024233094.db2.gz WVOBTSWCXXIJFY-SFHVURJKSA-N 1 3 367.497 2.593 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)OCC[NH2+]C3)C1 ZINC001121989205 1024240609 /nfs/dbraw/zinc/24/06/09/1024240609.db2.gz PNMCMWAUKPMFIJ-JXFKEZNVSA-N 1 3 365.477 2.734 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(C)c(F)c3)C[C@@]2(C)C1 ZINC001101418421 1024690561 /nfs/dbraw/zinc/69/05/61/1024690561.db2.gz QJPAIIBABLHQSP-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(C)c(F)c3)C[C@@]2(C)C1 ZINC001101418421 1024690566 /nfs/dbraw/zinc/69/05/66/1024690566.db2.gz QJPAIIBABLHQSP-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101443913 1024757995 /nfs/dbraw/zinc/75/79/95/1024757995.db2.gz QCPPWHPBMISBEF-CBQOVEMMSA-N 1 3 355.526 2.796 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101443913 1024758001 /nfs/dbraw/zinc/75/80/01/1024758001.db2.gz QCPPWHPBMISBEF-CBQOVEMMSA-N 1 3 355.526 2.796 20 0 FFADHO C[C@@]12CN(Cc3ccsc3)C[C@@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001101474397 1024841674 /nfs/dbraw/zinc/84/16/74/1024841674.db2.gz XFPGYBHINXMHER-QUCCMNQESA-N 1 3 361.555 2.904 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478490 1024850528 /nfs/dbraw/zinc/85/05/28/1024850528.db2.gz QKUKEFBGJMNFAA-GGAORHGYSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101478490 1024850542 /nfs/dbraw/zinc/85/05/42/1024850542.db2.gz QKUKEFBGJMNFAA-GGAORHGYSA-N 1 3 371.569 2.912 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1 ZINC001101478646 1024851210 /nfs/dbraw/zinc/85/12/10/1024851210.db2.gz YMORYSAYIWTPNH-MJGOQNOKSA-N 1 3 371.516 2.932 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1 ZINC001101478646 1024851225 /nfs/dbraw/zinc/85/12/25/1024851225.db2.gz YMORYSAYIWTPNH-MJGOQNOKSA-N 1 3 371.516 2.932 20 0 FFADHO C[C@@]12CN(Cc3ccccn3)C[C@@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001101483946 1024862685 /nfs/dbraw/zinc/86/26/85/1024862685.db2.gz QGERPYROWQETLC-KNQAVFIVSA-N 1 3 370.541 2.628 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1F ZINC001102048418 1025354346 /nfs/dbraw/zinc/35/43/46/1025354346.db2.gz ARKLQPMZAGNNGG-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1F ZINC001102048418 1025354359 /nfs/dbraw/zinc/35/43/59/1025354359.db2.gz ARKLQPMZAGNNGG-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO C[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048918 1025356399 /nfs/dbraw/zinc/35/63/99/1025356399.db2.gz VAIPZJSWINGWSG-FVQBIDKESA-N 1 3 363.468 2.743 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048918 1025356412 /nfs/dbraw/zinc/35/64/12/1025356412.db2.gz VAIPZJSWINGWSG-FVQBIDKESA-N 1 3 363.468 2.743 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290760 1025701782 /nfs/dbraw/zinc/70/17/82/1025701782.db2.gz UULZCZZHUDJZMC-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO C[C@@H]1CN(CCc2c(F)cccc2F)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294312 1025706141 /nfs/dbraw/zinc/70/61/41/1025706141.db2.gz SEPUVBNJERYZFY-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000638122653 1025713603 /nfs/dbraw/zinc/71/36/03/1025713603.db2.gz NUFRBQUTBYFKBE-RBUKOAKNSA-N 1 3 374.529 2.555 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)cc1F ZINC001102330341 1025758979 /nfs/dbraw/zinc/75/89/79/1025758979.db2.gz PRMXNOSYHYBGPK-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)cc1F ZINC001102330341 1025758993 /nfs/dbraw/zinc/75/89/93/1025758993.db2.gz PRMXNOSYHYBGPK-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C)N(C)C ZINC001102330414 1025760367 /nfs/dbraw/zinc/76/03/67/1025760367.db2.gz UHWFIOQFPJGEIT-HMXCVIKNSA-N 1 3 359.558 2.890 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C)N(C)C ZINC001102330414 1025760383 /nfs/dbraw/zinc/76/03/83/1025760383.db2.gz UHWFIOQFPJGEIT-HMXCVIKNSA-N 1 3 359.558 2.890 20 0 FFADHO [NH3+]Cc1ccc2c(c1)N(C(=O)c1cccc(CN3CCCC3)c1)CCO2 ZINC000638805009 1026028674 /nfs/dbraw/zinc/02/86/74/1026028674.db2.gz GYPHHCWMMWVCFW-UHFFFAOYSA-N 1 3 351.450 2.780 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638854106 1026050984 /nfs/dbraw/zinc/05/09/84/1026050984.db2.gz PAUKYXYKIVHQRL-GMAHTHKFSA-N 1 3 370.585 2.972 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCOCC)C[C@H]1C ZINC001102504331 1026154538 /nfs/dbraw/zinc/15/45/38/1026154538.db2.gz LQRWTBXROSXCMK-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCOCC)C[C@H]1C ZINC001102504331 1026154544 /nfs/dbraw/zinc/15/45/44/1026154544.db2.gz LQRWTBXROSXCMK-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001102525206 1026216089 /nfs/dbraw/zinc/21/60/89/1026216089.db2.gz PRKDSYRJRUKOHE-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001102525206 1026216100 /nfs/dbraw/zinc/21/61/00/1026216100.db2.gz PRKDSYRJRUKOHE-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1C ZINC001102525085 1026216147 /nfs/dbraw/zinc/21/61/47/1026216147.db2.gz KLORREXTJGCDEW-SJLPKXTDSA-N 1 3 357.498 2.959 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C ZINC001102525085 1026216160 /nfs/dbraw/zinc/21/61/60/1026216160.db2.gz KLORREXTJGCDEW-SJLPKXTDSA-N 1 3 357.498 2.959 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102525743 1026219948 /nfs/dbraw/zinc/21/99/48/1026219948.db2.gz SOSVZBIFUSZKRQ-MDYRTPRTSA-N 1 3 361.505 2.839 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102525743 1026219961 /nfs/dbraw/zinc/21/99/61/1026219961.db2.gz SOSVZBIFUSZKRQ-MDYRTPRTSA-N 1 3 361.505 2.839 20 0 FFADHO CO[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000639210099 1026231345 /nfs/dbraw/zinc/23/13/45/1026231345.db2.gz GXFHJSUQGRQCKN-RTWAWAEBSA-N 1 3 358.526 2.930 20 0 FFADHO c1ccc(C(CN2CC[C@]3(CCOC3)C2)C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000639514222 1026340915 /nfs/dbraw/zinc/34/09/15/1026340915.db2.gz CVDKSGIJUWHDTM-GOTSBHOMSA-N 1 3 370.537 2.995 20 0 FFADHO c1ccc(C(CN2CC[C@]3(CCOC3)C2)C[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000639514222 1026340927 /nfs/dbraw/zinc/34/09/27/1026340927.db2.gz CVDKSGIJUWHDTM-GOTSBHOMSA-N 1 3 370.537 2.995 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccccc2Cl)C[C@H]1C ZINC001102600916 1026400280 /nfs/dbraw/zinc/40/02/80/1026400280.db2.gz CBIRIFWDKIGBAP-SJLPKXTDSA-N 1 3 365.949 2.907 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2Cl)C[C@H]1C ZINC001102600916 1026400285 /nfs/dbraw/zinc/40/02/85/1026400285.db2.gz CBIRIFWDKIGBAP-SJLPKXTDSA-N 1 3 365.949 2.907 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1C ZINC001102601462 1026403569 /nfs/dbraw/zinc/40/35/69/1026403569.db2.gz DTJQGTOISBEJEJ-HUUCEWRRSA-N 1 3 351.457 2.743 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C ZINC001102601462 1026403575 /nfs/dbraw/zinc/40/35/75/1026403575.db2.gz DTJQGTOISBEJEJ-HUUCEWRRSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H]1CN(Cc2cccnc2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612655 1026429408 /nfs/dbraw/zinc/42/94/08/1026429408.db2.gz QODSDWTXBMCUDN-UYAOXDASSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102613113 1026429735 /nfs/dbraw/zinc/42/97/35/1026429735.db2.gz NBZRJKVBXGBQEA-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760369 1026459974 /nfs/dbraw/zinc/45/99/74/1026459974.db2.gz WFHIHEKLQUKALT-IAGOWNOFSA-N 1 3 359.514 2.679 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](C4CCC4)C3)cc2)CC1 ZINC000839675903 1026789522 /nfs/dbraw/zinc/78/95/22/1026789522.db2.gz IHIKRCCOHZUMML-LJQANCHMSA-N 1 3 370.541 2.889 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](C4CCC4)C3)cc2)CC1 ZINC000839675903 1026789526 /nfs/dbraw/zinc/78/95/26/1026789526.db2.gz IHIKRCCOHZUMML-LJQANCHMSA-N 1 3 370.541 2.889 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C)N(C)C ZINC001103139972 1026996205 /nfs/dbraw/zinc/99/62/05/1026996205.db2.gz GWPHKIOPHWWNTC-YVWKXTFCSA-N 1 3 361.530 2.610 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1C)N(C)C ZINC001103139972 1026996211 /nfs/dbraw/zinc/99/62/11/1026996211.db2.gz GWPHKIOPHWWNTC-YVWKXTFCSA-N 1 3 361.530 2.610 20 0 FFADHO N[C@@H](CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)c1cccc(C(F)(F)F)c1 ZINC001158578925 1027064134 /nfs/dbraw/zinc/06/41/34/1027064134.db2.gz NCLLNGUPAMUYIW-CFVMTHIKSA-N 1 3 373.394 2.631 20 0 FFADHO CN1CCC(N(c2cc3ccc(Cl)nc3cn2)C2CC[NH2+]CC2)CC1 ZINC001158580635 1027066529 /nfs/dbraw/zinc/06/65/29/1027066529.db2.gz HSFOEJKXMNYAOF-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO CN1CCC(N(c2ccc(-c3cccc(F)c3)nn2)C2CC[NH2+]CC2)CC1 ZINC001158588836 1027070559 /nfs/dbraw/zinc/07/05/59/1027070559.db2.gz GNVFFBOGYGLOGX-UHFFFAOYSA-N 1 3 369.488 2.935 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000642030459 1027391226 /nfs/dbraw/zinc/39/12/26/1027391226.db2.gz LOCOYDNSKKYNBU-HMXCVIKNSA-N 1 3 370.541 2.600 20 0 FFADHO CN1CCN(c2ccc(Nc3cccc(CN4CC[NH2+]CC4)c3)cc2)CC1 ZINC001159448431 1027392691 /nfs/dbraw/zinc/39/26/91/1027392691.db2.gz UFZKSKWLZTUPKH-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO CCN1CCN(c2ccc(Nc3ccc(N4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001159449717 1027392791 /nfs/dbraw/zinc/39/27/91/1027392791.db2.gz LSTJDCZSJFZCOY-UHFFFAOYSA-N 1 3 365.525 2.982 20 0 FFADHO [NH3+]C1CCC(N(c2cc3c(nn2)CCNC3)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001159561968 1027433857 /nfs/dbraw/zinc/43/38/57/1027433857.db2.gz NSOWCLSUKACUER-KWOGNLBTSA-N 1 3 363.509 2.755 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103435044 1027479067 /nfs/dbraw/zinc/47/90/67/1027479067.db2.gz MFNVAWXFZISFNR-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103435044 1027479073 /nfs/dbraw/zinc/47/90/73/1027479073.db2.gz MFNVAWXFZISFNR-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO c1ccc(N2CC[NH2+]CC2)c(CNc2ncccc2CN2CCCC2)c1 ZINC001160115262 1027599971 /nfs/dbraw/zinc/59/99/71/1027599971.db2.gz CPGPKLPITBACHL-UHFFFAOYSA-N 1 3 351.498 2.699 20 0 FFADHO O=C1OCCN1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411136 1027607531 /nfs/dbraw/zinc/60/75/31/1027607531.db2.gz YVOVGBSJRSWUHJ-VAMGGRTRSA-N 1 3 357.498 2.719 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C ZINC001103550599 1027666195 /nfs/dbraw/zinc/66/61/95/1027666195.db2.gz YILPPVLEWUJENG-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C ZINC001103550599 1027666201 /nfs/dbraw/zinc/66/62/01/1027666201.db2.gz YILPPVLEWUJENG-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001160595795 1027771705 /nfs/dbraw/zinc/77/17/05/1027771705.db2.gz UWNGIKUEOBTLFV-FQEVSTJZSA-N 1 3 373.541 2.631 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC001160955865 1027945505 /nfs/dbraw/zinc/94/55/05/1027945505.db2.gz ISJNOIQLRMHMEB-RXVVDRJESA-N 1 3 359.514 2.508 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001160958011 1027946198 /nfs/dbraw/zinc/94/61/98/1027946198.db2.gz UCFPWAFOGCXVSR-JYAXBFRTSA-N 1 3 371.525 2.649 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1C ZINC001103757138 1028144367 /nfs/dbraw/zinc/14/43/67/1028144367.db2.gz NKQRXJXUBNIAPV-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1C ZINC001103757138 1028144378 /nfs/dbraw/zinc/14/43/78/1028144378.db2.gz NKQRXJXUBNIAPV-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161576724 1028235133 /nfs/dbraw/zinc/23/51/33/1028235133.db2.gz SCGKKZGBRXXAMC-ACRUOGEOSA-N 1 3 355.526 2.875 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161576724 1028235144 /nfs/dbraw/zinc/23/51/44/1028235144.db2.gz SCGKKZGBRXXAMC-ACRUOGEOSA-N 1 3 355.526 2.875 20 0 FFADHO CN1CCN(CCCNc2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001161709510 1028291955 /nfs/dbraw/zinc/29/19/55/1028291955.db2.gz CIXRXXCQUYFGTJ-NHCUHLMSSA-N 1 3 360.546 2.523 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001212993987 1028355896 /nfs/dbraw/zinc/35/58/96/1028355896.db2.gz YNLCHNAZUNDGGK-UHFFFAOYSA-N 1 3 367.497 2.722 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001162479901 1028552207 /nfs/dbraw/zinc/55/22/07/1028552207.db2.gz DRZDBLMVVAIJLQ-NJYVYQBISA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001162479901 1028552225 /nfs/dbraw/zinc/55/22/25/1028552225.db2.gz DRZDBLMVVAIJLQ-NJYVYQBISA-N 1 3 355.526 2.840 20 0 FFADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc([C@@H]2CCCCN2C)cn1 ZINC001162728754 1028634896 /nfs/dbraw/zinc/63/48/96/1028634896.db2.gz HHRJNDLXGUTACE-ZWKOTPCHSA-N 1 3 362.518 2.782 20 0 FFADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc(F)c(CN2CCCC2)c1 ZINC001162737965 1028639710 /nfs/dbraw/zinc/63/97/10/1028639710.db2.gz VBHXLZNWOZOSLB-IBGZPJMESA-N 1 3 365.493 2.965 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCCc3nc(-c4ccccc4)no3)n2)CC1 ZINC001156106323 1029048993 /nfs/dbraw/zinc/04/89/93/1029048993.db2.gz BQEPWWVKJIIPSV-UHFFFAOYSA-N 1 3 364.453 2.714 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc(CN(C)C3CC3)cn2)CC1 ZINC001165112286 1029398690 /nfs/dbraw/zinc/39/86/90/1029398690.db2.gz MUYMNMOZFOCRBG-HXUWFJFHSA-N 1 3 358.530 2.755 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc(CN(C)C3CC3)cn2)CC1 ZINC001165112286 1029398701 /nfs/dbraw/zinc/39/87/01/1029398701.db2.gz MUYMNMOZFOCRBG-HXUWFJFHSA-N 1 3 358.530 2.755 20 0 FFADHO C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157537917 1029611318 /nfs/dbraw/zinc/61/13/18/1029611318.db2.gz FCQIVARCZOSDFC-KQLYMOGASA-N 1 3 369.484 2.757 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(F)cc2)C3)CC1 ZINC001111855698 1029626668 /nfs/dbraw/zinc/62/66/68/1029626668.db2.gz IRXHMDZFJMMYGO-UWJYYQICSA-N 1 3 359.489 2.638 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(CCOCC1CC1)C2)[NH+](CC)CC ZINC001111869918 1029648601 /nfs/dbraw/zinc/64/86/01/1029648601.db2.gz QYMPYPQJIZCAEO-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc4nccc(Cl)c4n3)CC2)CC1 ZINC001157842768 1029673990 /nfs/dbraw/zinc/67/39/90/1029673990.db2.gz WLHAPVVYPMBJSB-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157848032 1029674970 /nfs/dbraw/zinc/67/49/70/1029674970.db2.gz NTHUJQPZIRRYAI-MRXNPFEDSA-N 1 3 370.545 2.935 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246805068 1029706256 /nfs/dbraw/zinc/70/62/56/1029706256.db2.gz JYONSZQBPUIUMK-FGTMMUONSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246805068 1029706259 /nfs/dbraw/zinc/70/62/59/1029706259.db2.gz JYONSZQBPUIUMK-FGTMMUONSA-N 1 3 373.541 2.521 20 0 FFADHO N[C@@H](CC(=O)N1CCC2(CC([NH3+])C2)CC1)c1cccc(C(F)(F)F)c1 ZINC001158081685 1029729436 /nfs/dbraw/zinc/72/94/36/1029729436.db2.gz GVOWPEFCUKYBEO-HNNXBMFYSA-N 1 3 355.404 2.825 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CCCc3ccccc32)CC1 ZINC001158160020 1029747660 /nfs/dbraw/zinc/74/76/60/1029747660.db2.gz CUSSIVVSGJAERR-FQEVSTJZSA-N 1 3 367.537 2.757 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CCCc3ccccc32)CC1 ZINC001158160020 1029747666 /nfs/dbraw/zinc/74/76/66/1029747666.db2.gz CUSSIVVSGJAERR-FQEVSTJZSA-N 1 3 367.537 2.757 20 0 FFADHO N[C@@H](CC(=O)N1CCC[C@@]12CCC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC001158160585 1029747751 /nfs/dbraw/zinc/74/77/51/1029747751.db2.gz LCAGHKGUHFTCLV-DOTOQJQBSA-N 1 3 355.404 2.840 20 0 FFADHO Cc1cc(N(c2ccc(CN3CCCC3)cn2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158390828 1029818544 /nfs/dbraw/zinc/81/85/44/1029818544.db2.gz BPLJEVGLNBHONO-UHFFFAOYSA-N 1 3 366.513 2.974 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2nsc3ccccc23)CC[N@@H+]1C ZINC001158403864 1029819882 /nfs/dbraw/zinc/81/98/82/1029819882.db2.gz KJHHYSVAKXPJGX-DOTOQJQBSA-N 1 3 360.527 2.623 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2nsc3ccccc23)CC[N@H+]1C ZINC001158403864 1029819890 /nfs/dbraw/zinc/81/98/90/1029819890.db2.gz KJHHYSVAKXPJGX-DOTOQJQBSA-N 1 3 360.527 2.623 20 0 FFADHO CCOC(=O)N1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000841072839 1030016353 /nfs/dbraw/zinc/01/63/53/1030016353.db2.gz KBAQEVMOMRPDRY-QFBILLFUSA-N 1 3 363.477 2.729 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112159987 1030121364 /nfs/dbraw/zinc/12/13/64/1030121364.db2.gz LANUHLFKQYOCEY-AVFOFMLLSA-N 1 3 363.468 2.908 20 0 FFADHO C[C@@H](NC(=O)Nc1cccc(OCC[NH3+])c1)[C@H](c1ccccc1)N(C)C ZINC000841283573 1030155754 /nfs/dbraw/zinc/15/57/54/1030155754.db2.gz YEWYDBJRKPWUAW-DNVCBOLYSA-N 1 3 356.470 2.837 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841819414 1030485946 /nfs/dbraw/zinc/48/59/46/1030485946.db2.gz CPNVUNBHQYILSE-UNMCSNQZSA-N 1 3 370.541 2.999 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000841901985 1030530112 /nfs/dbraw/zinc/53/01/12/1030530112.db2.gz OINIYCMLPOAFKY-MAUKXSAKSA-N 1 3 358.486 2.709 20 0 FFADHO CC(=O)Nc1ccc2c(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cc(=O)oc2c1 ZINC000842472301 1030747676 /nfs/dbraw/zinc/74/76/76/1030747676.db2.gz CLFBKLYGWPDIEA-IBGZPJMESA-N 1 3 369.465 2.715 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2C[C@@H]3COC[C@H](C2)C3(F)F)cc1 ZINC001204270213 1031196780 /nfs/dbraw/zinc/19/67/80/1031196780.db2.gz QLRWAWUHBIQTMW-CALCHBBNSA-N 1 3 354.441 2.731 20 0 FFADHO CC(=O)Nc1ccc2c(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000843385385 1031367962 /nfs/dbraw/zinc/36/79/62/1031367962.db2.gz GQDLNJUWHIFAAX-INIZCTEOSA-N 1 3 369.465 2.573 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1[nH]cnc1C)CC2 ZINC001204588824 1031380180 /nfs/dbraw/zinc/38/01/80/1031380180.db2.gz BNNYCKZSBRVGNC-LJQANCHMSA-N 1 3 369.513 2.616 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1[nH]cnc1C)CC2 ZINC001204588824 1031380190 /nfs/dbraw/zinc/38/01/90/1031380190.db2.gz BNNYCKZSBRVGNC-LJQANCHMSA-N 1 3 369.513 2.616 20 0 FFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC001204985262 1031480381 /nfs/dbraw/zinc/48/03/81/1031480381.db2.gz ONNULFDXMNUIDX-KRWDZBQOSA-N 1 3 360.527 2.737 20 0 FFADHO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001205305195 1031658960 /nfs/dbraw/zinc/65/89/60/1031658960.db2.gz GHCBSZYVJYFYMN-UHFFFAOYSA-N 1 3 369.550 2.913 20 0 FFADHO C[C@H]1CCN(Cc2sc(N3CCC(O)CC3)nc2Cl)CC[C@H]1C[NH3+] ZINC001205626311 1031882563 /nfs/dbraw/zinc/88/25/63/1031882563.db2.gz FPVWPVAXHJWLBQ-STQMWFEESA-N 1 3 372.966 2.564 20 0 FFADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218714346 1033298205 /nfs/dbraw/zinc/29/82/05/1033298205.db2.gz XUKIIMINHMLUJD-DOTOQJQBSA-N 1 3 366.465 2.846 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001218952616 1033425302 /nfs/dbraw/zinc/42/53/02/1033425302.db2.gz VSWCRTNQGHZXRZ-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCOC(C)C)[C@H]2C1)N(CC)CC ZINC001223489824 1033469460 /nfs/dbraw/zinc/46/94/60/1033469460.db2.gz YIDMXGITFYUTAR-AQNXPRMDSA-N 1 3 367.578 2.845 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCOC(C)C)[C@H]2C1)N(CC)CC ZINC001223489824 1033469468 /nfs/dbraw/zinc/46/94/68/1033469468.db2.gz YIDMXGITFYUTAR-AQNXPRMDSA-N 1 3 367.578 2.845 20 0 FFADHO CCC/C=C\CCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052402 1033491181 /nfs/dbraw/zinc/49/11/81/1033491181.db2.gz YUZRNFBFJIEIFM-INPAECQJSA-N 1 3 363.546 2.520 20 0 FFADHO CC(C)Oc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219175028 1033544211 /nfs/dbraw/zinc/54/42/11/1033544211.db2.gz UPIORZMMKFXXCZ-OAHLLOKOSA-N 1 3 359.392 2.758 20 0 FFADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)C[C@@H]3Cc4ccccc4CN3)cc2)C1 ZINC001219233525 1033564973 /nfs/dbraw/zinc/56/49/73/1033564973.db2.gz QEHIHOVRMADKCZ-ICSRJNTNSA-N 1 3 364.493 2.657 20 0 FFADHO Nc1c(F)cccc1N(C(=O)c1cc2c(s1)CNCC2)C1CC[NH2+]CC1 ZINC001219287790 1033585792 /nfs/dbraw/zinc/58/57/92/1033585792.db2.gz DLGPBLZHYFZMDT-UHFFFAOYSA-N 1 3 374.485 2.514 20 0 FFADHO CCCC[C@](CC)(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(=O)OCC ZINC001220637472 1034311115 /nfs/dbraw/zinc/31/11/15/1034311115.db2.gz DHXPDYRKNGOPNR-LPHOPBHVSA-N 1 3 357.539 2.500 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1OC(F)F ZINC001138553892 1034403926 /nfs/dbraw/zinc/40/39/26/1034403926.db2.gz NAOCWKFYVBDIJY-JKSUJKDBSA-N 1 3 369.456 2.507 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1OC(F)F ZINC001138553892 1034403933 /nfs/dbraw/zinc/40/39/33/1034403933.db2.gz NAOCWKFYVBDIJY-JKSUJKDBSA-N 1 3 369.456 2.507 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC001221062911 1034532486 /nfs/dbraw/zinc/53/24/86/1034532486.db2.gz FMQMDHICKLDTJJ-IRXDYDNUSA-N 1 3 370.522 2.962 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC001226161629 1034552356 /nfs/dbraw/zinc/55/23/56/1034552356.db2.gz RMTHNISARIVVQF-VAMGGRTRSA-N 1 3 365.562 2.693 20 0 FFADHO N[C@@]1(C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)CCc2cc(F)ccc2C1 ZINC001221130091 1034570259 /nfs/dbraw/zinc/57/02/59/1034570259.db2.gz HHLNTJNOOGLHLN-QFIPXVFZSA-N 1 3 373.516 2.688 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1coc(-c2ccc(F)cc2)n1 ZINC001221192411 1034596355 /nfs/dbraw/zinc/59/63/55/1034596355.db2.gz RCGPGGHKBGJCNE-KRWDZBQOSA-N 1 3 362.449 2.593 20 0 FFADHO N[C@@H](CC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001221411101 1034721036 /nfs/dbraw/zinc/72/10/36/1034721036.db2.gz UGVFEJDPUODLDC-RDJZCZTQSA-N 1 3 355.404 2.600 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC001226565240 1034738812 /nfs/dbraw/zinc/73/88/12/1034738812.db2.gz XMJOUSUBLHJXGS-IPMKNSEASA-N 1 3 364.509 2.587 20 0 FFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001226793169 1034844418 /nfs/dbraw/zinc/84/44/18/1034844418.db2.gz ZJVFGOQAYPSWFG-NUJGCVRESA-N 1 3 364.921 2.592 20 0 FFADHO Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)s1 ZINC001226890801 1034875511 /nfs/dbraw/zinc/87/55/11/1034875511.db2.gz OQHDTWMYOYAQQI-KBAYOESNSA-N 1 3 364.559 2.843 20 0 FFADHO Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001226890801 1034875523 /nfs/dbraw/zinc/87/55/23/1034875523.db2.gz OQHDTWMYOYAQQI-KBAYOESNSA-N 1 3 364.559 2.843 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)N(C)C)sn1 ZINC001226922647 1034885127 /nfs/dbraw/zinc/88/51/27/1034885127.db2.gz VCFOMOTUFWTTSI-ZACQAIPSSA-N 1 3 352.548 2.555 20 0 FFADHO C[C@@H]1C[C@H](Oc2c(CN(C)C)cc(C[NH+](C)C)cc2CN(C)C)CCO1 ZINC001227164486 1034957125 /nfs/dbraw/zinc/95/71/25/1034957125.db2.gz JWTUAAQWJYGWHL-OXQOHEQNSA-N 1 3 363.546 2.818 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21 ZINC001221848490 1035111344 /nfs/dbraw/zinc/11/13/44/1035111344.db2.gz RHZKMBDBGGMJEY-CEXWTWQISA-N 1 3 353.526 2.922 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21 ZINC001221848490 1035111347 /nfs/dbraw/zinc/11/13/47/1035111347.db2.gz RHZKMBDBGGMJEY-CEXWTWQISA-N 1 3 353.526 2.922 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CCN(CCCOC(C)C)C[C@H]21)C(C)C ZINC001221877697 1035130561 /nfs/dbraw/zinc/13/05/61/1035130561.db2.gz DUWIPEABNQLXGH-AQNXPRMDSA-N 1 3 367.578 2.701 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CCN(CCCOC(C)C)C[C@H]21)C(C)C ZINC001221877699 1035130949 /nfs/dbraw/zinc/13/09/49/1035130949.db2.gz DUWIPEABNQLXGH-VAMGGRTRSA-N 1 3 367.578 2.701 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221919591 1035156916 /nfs/dbraw/zinc/15/69/16/1035156916.db2.gz XEOFROKHVJLQKA-NHCUHLMSSA-N 1 3 355.526 2.550 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221919591 1035156919 /nfs/dbraw/zinc/15/69/19/1035156919.db2.gz XEOFROKHVJLQKA-NHCUHLMSSA-N 1 3 355.526 2.550 20 0 FFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(N)nc1)CC2 ZINC001232367990 1035631013 /nfs/dbraw/zinc/63/10/13/1035631013.db2.gz SZFDPCLPFDZBMN-QGZVFWFLSA-N 1 3 372.538 2.981 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)CCCC1 ZINC001227751078 1035714844 /nfs/dbraw/zinc/71/48/44/1035714844.db2.gz WSCFXYQMWZBJNQ-IAGOWNOFSA-N 1 3 364.559 2.925 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232821100 1036066324 /nfs/dbraw/zinc/06/63/24/1036066324.db2.gz PEDSHJJGFPQEBF-UHFFFAOYSA-N 1 3 352.866 2.533 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232821100 1036066333 /nfs/dbraw/zinc/06/63/33/1036066333.db2.gz PEDSHJJGFPQEBF-UHFFFAOYSA-N 1 3 352.866 2.533 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001228445659 1036119366 /nfs/dbraw/zinc/11/93/66/1036119366.db2.gz VAJDIXDPHYDBPU-VAMGGRTRSA-N 1 3 361.530 2.798 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C)[NH+](CC)CC ZINC001228559059 1036176763 /nfs/dbraw/zinc/17/67/63/1036176763.db2.gz LMDCSMBZFQMXKD-KZNAEPCWSA-N 1 3 350.507 2.620 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228624527 1036213031 /nfs/dbraw/zinc/21/30/31/1036213031.db2.gz ZUGSBDZUNMFPPM-RTBURBONSA-N 1 3 360.546 2.885 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCO1)CC(C)(C)C ZINC001228647732 1036229732 /nfs/dbraw/zinc/22/97/32/1036229732.db2.gz XVTHXNUSVLASFZ-RCCFBDPRSA-N 1 3 353.551 2.550 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1)N(C)C ZINC001229747285 1036867746 /nfs/dbraw/zinc/86/77/46/1036867746.db2.gz WFUNVVYWZARJRN-AQNXPRMDSA-N 1 3 361.530 2.813 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001229852118 1036933429 /nfs/dbraw/zinc/93/34/29/1036933429.db2.gz FKFOFLXNEHALHN-QZTJIDSGSA-N 1 3 366.937 2.984 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001229852118 1036933443 /nfs/dbraw/zinc/93/34/43/1036933443.db2.gz FKFOFLXNEHALHN-QZTJIDSGSA-N 1 3 366.937 2.984 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001234148480 1036943260 /nfs/dbraw/zinc/94/32/60/1036943260.db2.gz LXRLYFYJPLJURY-UYAOXDASSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001234148480 1036943269 /nfs/dbraw/zinc/94/32/69/1036943269.db2.gz LXRLYFYJPLJURY-UYAOXDASSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CC/C=C\c2ccccc2)CC[N@@H+]1C ZINC001234402166 1037022163 /nfs/dbraw/zinc/02/21/63/1037022163.db2.gz IZQYCGIXVMONPE-SBEHYETDSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CC/C=C\c2ccccc2)CC[N@H+]1C ZINC001234402166 1037022183 /nfs/dbraw/zinc/02/21/83/1037022183.db2.gz IZQYCGIXVMONPE-SBEHYETDSA-N 1 3 355.526 2.963 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC001230284476 1037195179 /nfs/dbraw/zinc/19/51/79/1037195179.db2.gz GUIKSYGULZFSDF-WOJBJXKFSA-N 1 3 361.530 2.560 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001230286413 1037196526 /nfs/dbraw/zinc/19/65/26/1037196526.db2.gz KZXDMWQGWNWKSK-GUDVDZBRSA-N 1 3 362.518 2.620 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001230284766 1037196630 /nfs/dbraw/zinc/19/66/30/1037196630.db2.gz UHEWFNVMSGLMEI-QRVBRYPASA-N 1 3 353.551 2.549 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286811 1037198648 /nfs/dbraw/zinc/19/86/48/1037198648.db2.gz TWLSATFQBJZBPI-AQNXPRMDSA-N 1 3 367.578 2.941 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001207198715 1037237916 /nfs/dbraw/zinc/23/79/16/1037237916.db2.gz UGCHAXGIGCRAOP-HDICACEKSA-N 1 3 351.535 2.907 20 0 FFADHO CCCN1C[C@@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001207198715 1037237935 /nfs/dbraw/zinc/23/79/35/1037237935.db2.gz UGCHAXGIGCRAOP-HDICACEKSA-N 1 3 351.535 2.907 20 0 FFADHO CCC[N@H+]1C[C@H]2CN(CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC001207198715 1037237948 /nfs/dbraw/zinc/23/79/48/1037237948.db2.gz UGCHAXGIGCRAOP-HDICACEKSA-N 1 3 351.535 2.907 20 0 FFADHO CCC[N@@H+]1C[C@H]2CN(CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC001207198715 1037237961 /nfs/dbraw/zinc/23/79/61/1037237961.db2.gz UGCHAXGIGCRAOP-HDICACEKSA-N 1 3 351.535 2.907 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001230464675 1037286358 /nfs/dbraw/zinc/28/63/58/1037286358.db2.gz IVRYNDBTKKOTIN-WOJBJXKFSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001230464675 1037286376 /nfs/dbraw/zinc/28/63/76/1037286376.db2.gz IVRYNDBTKKOTIN-WOJBJXKFSA-N 1 3 362.562 2.911 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001207279234 1037306912 /nfs/dbraw/zinc/30/69/12/1037306912.db2.gz CZOJMYJWXUXGQH-UHFFFAOYSA-N 1 3 358.530 2.598 20 0 FFADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001207537503 1037529813 /nfs/dbraw/zinc/52/98/13/1037529813.db2.gz CMKASVBRSPGAEC-RLLQIKCJSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001207537503 1037529824 /nfs/dbraw/zinc/52/98/24/1037529824.db2.gz CMKASVBRSPGAEC-RLLQIKCJSA-N 1 3 365.562 2.503 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC001207541206 1037534239 /nfs/dbraw/zinc/53/42/39/1037534239.db2.gz YNCIQPMSUULIIN-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC001207541206 1037534247 /nfs/dbraw/zinc/53/42/47/1037534247.db2.gz YNCIQPMSUULIIN-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2)cc1 ZINC001235482482 1037578304 /nfs/dbraw/zinc/57/83/04/1037578304.db2.gz BISFMGOXTZZRTO-ACRUOGEOSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2)cc1 ZINC001235482482 1037578310 /nfs/dbraw/zinc/57/83/10/1037578310.db2.gz BISFMGOXTZZRTO-ACRUOGEOSA-N 1 3 370.541 2.695 20 0 FFADHO CC1(C)N[C@@H](CC[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CO1 ZINC001235611728 1037644544 /nfs/dbraw/zinc/64/45/44/1037644544.db2.gz OALHDBFBZCYSEZ-HNAYVOBHSA-N 1 3 363.527 2.682 20 0 FFADHO CC1(C)N[C@@H](CC[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CO1 ZINC001235611728 1037644552 /nfs/dbraw/zinc/64/45/52/1037644552.db2.gz OALHDBFBZCYSEZ-HNAYVOBHSA-N 1 3 363.527 2.682 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CCCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235695109 1037690164 /nfs/dbraw/zinc/69/01/64/1037690164.db2.gz OZGKICKVCNVRCJ-SFHVURJKSA-N 1 3 359.514 2.650 20 0 FFADHO Fc1c(CN2CCCCC2)cccc1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001236002790 1037884791 /nfs/dbraw/zinc/88/47/91/1037884791.db2.gz MUXYILDYCCXAKC-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc4ccn(CC)c4c3)C[C@H]1CNCC2 ZINC001236039576 1037901345 /nfs/dbraw/zinc/90/13/45/1037901345.db2.gz ZZWJXCDHXRDTGN-WIYYLYMNSA-N 1 3 355.482 2.636 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc4ccn(CC)c4c3)C[C@H]1CNCC2 ZINC001236039576 1037901361 /nfs/dbraw/zinc/90/13/61/1037901361.db2.gz ZZWJXCDHXRDTGN-WIYYLYMNSA-N 1 3 355.482 2.636 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN(Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC001236071847 1037915699 /nfs/dbraw/zinc/91/56/99/1037915699.db2.gz BGRBYBUCDFDMLP-NRFANRHFSA-N 1 3 351.494 2.873 20 0 FFADHO Cc1nc(-c2ccccc2)ncc1CN1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001231796287 1037920031 /nfs/dbraw/zinc/92/00/31/1037920031.db2.gz VFWZOVXAAZENQB-LEWJYISDSA-N 1 3 365.525 2.662 20 0 FFADHO Cc1cc(F)cc(Br)c1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236132890 1037945441 /nfs/dbraw/zinc/94/54/41/1037945441.db2.gz REGPMLIVRGEPOW-UHFFFAOYSA-N 1 3 370.310 2.766 20 0 FFADHO CC1(C)C[C@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001255543892 1038001110 /nfs/dbraw/zinc/00/11/10/1038001110.db2.gz WYJFHURAMZCGBW-HXUWFJFHSA-N 1 3 373.541 2.954 20 0 FFADHO Fc1ccc(CN(Cc2nc3c(s2)CNCC3)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389785 1038067248 /nfs/dbraw/zinc/06/72/48/1038067248.db2.gz NPYCNYQIKQMVCY-INIZCTEOSA-N 1 3 360.502 2.682 20 0 FFADHO Cc1ccc(CN(Cc2nc3c(s2)CNCC3)C2CC[NH2+]CC2)c(F)c1 ZINC001236496959 1038111274 /nfs/dbraw/zinc/11/12/74/1038111274.db2.gz RLIUKGKTLYCQGO-UHFFFAOYSA-N 1 3 374.529 2.991 20 0 FFADHO CN(C)CC1(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CCCC1 ZINC001208185857 1038120073 /nfs/dbraw/zinc/12/00/73/1038120073.db2.gz RZWJHLVEOCJLMB-HBFSDRIKSA-N 1 3 359.514 2.814 20 0 FFADHO CN(C)CC1(C[N@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CCCC1 ZINC001208185857 1038120075 /nfs/dbraw/zinc/12/00/75/1038120075.db2.gz RZWJHLVEOCJLMB-HBFSDRIKSA-N 1 3 359.514 2.814 20 0 FFADHO CC[NH+](CC)CCN1CCN(C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208213864 1038142517 /nfs/dbraw/zinc/14/25/17/1038142517.db2.gz PZRPIHDXAPVVTO-SFHVURJKSA-N 1 3 361.530 2.553 20 0 FFADHO COC(=O)N1CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000089152766 1038217927 /nfs/dbraw/zinc/21/79/27/1038217927.db2.gz QKPYZIMYWGKZSI-UHFFFAOYSA-N 1 3 363.477 2.858 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255962950 1038277713 /nfs/dbraw/zinc/27/77/13/1038277713.db2.gz LVCMZXFJNQWOMN-WIYYLYMNSA-N 1 3 358.530 2.626 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255962950 1038277719 /nfs/dbraw/zinc/27/77/19/1038277719.db2.gz LVCMZXFJNQWOMN-WIYYLYMNSA-N 1 3 358.530 2.626 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N(CC)CC ZINC001208574688 1038420393 /nfs/dbraw/zinc/42/03/93/1038420393.db2.gz FIJZQVNGYCLPHD-NXHRZFHOSA-N 1 3 351.560 2.848 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N(CC)CC ZINC001208574688 1038420397 /nfs/dbraw/zinc/42/03/97/1038420397.db2.gz FIJZQVNGYCLPHD-NXHRZFHOSA-N 1 3 351.560 2.848 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C1 ZINC001208608189 1038442564 /nfs/dbraw/zinc/44/25/64/1038442564.db2.gz RIIATOBDEJUYBP-ZWOKBUDYSA-N 1 3 369.525 2.999 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C1 ZINC001208608189 1038442566 /nfs/dbraw/zinc/44/25/66/1038442566.db2.gz RIIATOBDEJUYBP-ZWOKBUDYSA-N 1 3 369.525 2.999 20 0 FFADHO C[C@H]1C[C@H](NCCOc2ccc(C(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256529301 1038547151 /nfs/dbraw/zinc/54/71/51/1038547151.db2.gz SAPLAEWCTVOOMQ-FXAWDEMLSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@H]1C[C@H](NCCOc2ccc(C(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256529301 1038547162 /nfs/dbraw/zinc/54/71/62/1038547162.db2.gz SAPLAEWCTVOOMQ-FXAWDEMLSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCC(N3CCN(C)CC3)CC2)CCN1Cc1ccccc1 ZINC001256550516 1038555428 /nfs/dbraw/zinc/55/54/28/1038555428.db2.gz MUMBCFFSEQZFSP-NZQKXSOJSA-N 1 3 370.585 2.751 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256593422 1038573986 /nfs/dbraw/zinc/57/39/86/1038573986.db2.gz RCTJACZRKVFTGA-JOCHJYFZSA-N 1 3 372.557 2.621 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256593422 1038573990 /nfs/dbraw/zinc/57/39/90/1038573990.db2.gz RCTJACZRKVFTGA-JOCHJYFZSA-N 1 3 372.557 2.621 20 0 FFADHO Cc1cc(=O)oc2cc(NC(=O)CCNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc12 ZINC001256618529 1038582276 /nfs/dbraw/zinc/58/22/76/1038582276.db2.gz KFAXSTZNNAELBJ-ALOPSCKCSA-N 1 3 369.465 2.645 20 0 FFADHO Cc1cc(=O)oc2cc(NC(=O)CCNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc12 ZINC001256618529 1038582282 /nfs/dbraw/zinc/58/22/82/1038582282.db2.gz KFAXSTZNNAELBJ-ALOPSCKCSA-N 1 3 369.465 2.645 20 0 FFADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942861 1038597266 /nfs/dbraw/zinc/59/72/66/1038597266.db2.gz RYGDWXGENAWKQI-TUNNFDKTSA-N 1 3 372.509 2.553 20 0 FFADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942861 1038597268 /nfs/dbraw/zinc/59/72/68/1038597268.db2.gz RYGDWXGENAWKQI-TUNNFDKTSA-N 1 3 372.509 2.553 20 0 FFADHO CC(C)(O)CCN1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208942432 1038597961 /nfs/dbraw/zinc/59/79/61/1038597961.db2.gz IEWXAZIJNYYKOD-NRFANRHFSA-N 1 3 359.558 2.677 20 0 FFADHO CC(C)(O)CCN1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208942432 1038597964 /nfs/dbraw/zinc/59/79/64/1038597964.db2.gz IEWXAZIJNYYKOD-NRFANRHFSA-N 1 3 359.558 2.677 20 0 FFADHO CC(C)(C)OC(=O)NCC1([NH2+]C2CCC(N3CCOCC3)CC2)CCC1 ZINC001256681508 1038600177 /nfs/dbraw/zinc/60/01/77/1038600177.db2.gz TYLIKNZKKSXTFI-UHFFFAOYSA-N 1 3 367.534 2.667 20 0 FFADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256682521 1038600356 /nfs/dbraw/zinc/60/03/56/1038600356.db2.gz KCRDSWAVJVNBNL-NYLDSWQDSA-N 1 3 371.525 2.524 20 0 FFADHO COC(=O)CCc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256685164 1038601240 /nfs/dbraw/zinc/60/12/40/1038601240.db2.gz YWKCYXRLLJWEMV-UHFFFAOYSA-N 1 3 360.498 2.525 20 0 FFADHO c1ccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)cc1 ZINC001256687127 1038602929 /nfs/dbraw/zinc/60/29/29/1038602929.db2.gz NTPJXMOXAQHBOR-UHFFFAOYSA-N 1 3 358.526 2.968 20 0 FFADHO [NH3+]Cc1cccc(Br)c1NC1CCC(N2CCOCC2)CC1 ZINC001256688108 1038603801 /nfs/dbraw/zinc/60/38/01/1038603801.db2.gz QFUAAGMSRIODRS-UHFFFAOYSA-N 1 3 368.319 2.963 20 0 FFADHO COc1cccc2c1SC[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256688128 1038603992 /nfs/dbraw/zinc/60/39/92/1038603992.db2.gz REIDMDWSRUBTBU-LXPRWKDFSA-N 1 3 362.539 2.945 20 0 FFADHO CC(=O)N1CCC[C@@H](C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001208982160 1038614968 /nfs/dbraw/zinc/61/49/68/1038614968.db2.gz LULSXMKDPQFFFZ-NRFANRHFSA-N 1 3 355.526 2.843 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3cc(F)ccc3Cl)C[C@H]2CC1 ZINC001278967822 1038631824 /nfs/dbraw/zinc/63/18/24/1038631824.db2.gz AWSNWRDHBSIZHF-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3cc(F)ccc3Cl)C[C@H]2CC1 ZINC001278967822 1038631826 /nfs/dbraw/zinc/63/18/26/1038631826.db2.gz AWSNWRDHBSIZHF-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CC[NH+]1CCC(NC[C@H](O)COCc2c(Cl)cccc2Cl)CC1 ZINC001250915298 1038809504 /nfs/dbraw/zinc/80/95/04/1038809504.db2.gz WQXRLHCXOYXHPP-AWEZNQCLSA-N 1 3 361.313 2.945 20 0 FFADHO Cc1ccc(Br)cc1CN1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001278622073 1038894755 /nfs/dbraw/zinc/89/47/55/1038894755.db2.gz VYOMFAWIEMALHK-ROUUACIJSA-N 1 3 366.347 2.968 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001251125708 1038957923 /nfs/dbraw/zinc/95/79/23/1038957923.db2.gz QVIHESRCMOTYFX-DLBZAZTESA-N 1 3 367.493 2.992 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001251125708 1038957930 /nfs/dbraw/zinc/95/79/30/1038957930.db2.gz QVIHESRCMOTYFX-DLBZAZTESA-N 1 3 367.493 2.992 20 0 FFADHO C[C@@H](c1ccc(C2=CC[C@H](N3CCOCC3)CC2)cc1)N1CC[NH2+]CC1 ZINC001245431469 1039010193 /nfs/dbraw/zinc/01/01/93/1039010193.db2.gz QRKFXXDPDSEEEX-AVRDEDQJSA-N 1 3 355.526 2.921 20 0 FFADHO Cc1ccccc1OCCCNC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245981887 1039174371 /nfs/dbraw/zinc/17/43/71/1039174371.db2.gz CVKQNLILGASIAL-RBUKOAKNSA-N 1 3 364.436 2.563 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(=[NH2+])c1cccc2ccccc21 ZINC001246007589 1039189853 /nfs/dbraw/zinc/18/98/53/1039189853.db2.gz XALMYFJGGXAJMK-VQTJNVASSA-N 1 3 369.415 2.964 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CCCNc2ccccc21 ZINC001246012286 1039190729 /nfs/dbraw/zinc/19/07/29/1039190729.db2.gz XZFHHDFGPOBHES-YSIASYRMSA-N 1 3 361.436 2.732 20 0 FFADHO CCN(C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001246014441 1039191455 /nfs/dbraw/zinc/19/14/55/1039191455.db2.gz OFTVPVKJXCOFSG-VOQZNFBZSA-N 1 3 356.510 2.879 20 0 FFADHO CN(C)C(=O)[C@H]1CC12CCN(C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258141978 1039220506 /nfs/dbraw/zinc/22/05/06/1039220506.db2.gz QYTDXXSPWMECLF-OAQYLSRUSA-N 1 3 369.553 2.884 20 0 FFADHO C[N@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@H]1N ZINC001246066301 1039232356 /nfs/dbraw/zinc/23/23/56/1039232356.db2.gz QANOFXJZMCEEHX-OTWHNJEPSA-N 1 3 362.514 2.704 20 0 FFADHO C[N@@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@H]1N ZINC001246066301 1039232367 /nfs/dbraw/zinc/23/23/67/1039232367.db2.gz QANOFXJZMCEEHX-OTWHNJEPSA-N 1 3 362.514 2.704 20 0 FFADHO CC(C)(C)C[N@H+](C[C@H](O)COc1ccc(F)cc1F)C1CCNCC1 ZINC001246070053 1039236876 /nfs/dbraw/zinc/23/68/76/1039236876.db2.gz QEHQEDAHDGTSLJ-INIZCTEOSA-N 1 3 356.457 2.805 20 0 FFADHO CC(C)(C)C[N@@H+](C[C@H](O)COc1ccc(F)cc1F)C1CCNCC1 ZINC001246070053 1039236879 /nfs/dbraw/zinc/23/68/79/1039236879.db2.gz QEHQEDAHDGTSLJ-INIZCTEOSA-N 1 3 356.457 2.805 20 0 FFADHO CC(C)(C)CN(C[C@H](O)COc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001246070053 1039236894 /nfs/dbraw/zinc/23/68/94/1039236894.db2.gz QEHQEDAHDGTSLJ-INIZCTEOSA-N 1 3 356.457 2.805 20 0 FFADHO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246144910 1039256259 /nfs/dbraw/zinc/25/62/59/1039256259.db2.gz BXBWXGPPSLMMGW-UTXMOHQDSA-N 1 3 353.304 2.594 20 0 FFADHO C[C@@H]1C[C@H](N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CN1Cc1ccccc1 ZINC001246206319 1039279048 /nfs/dbraw/zinc/27/90/48/1039279048.db2.gz FLBZOEKNHQVHBW-NEWSRXKRSA-N 1 3 361.530 2.688 20 0 FFADHO COc1ccc(CN2CC[C@@H](N[C@@]34CC[C@@]([NH3+])(C3)CCC4)CC2=O)cc1 ZINC001246342888 1039318180 /nfs/dbraw/zinc/31/81/80/1039318180.db2.gz WNFBMPHEJKUSEO-UIFIKXQLSA-N 1 3 357.498 2.580 20 0 FFADHO COc1ccc(CC2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246379331 1039328553 /nfs/dbraw/zinc/32/85/53/1039328553.db2.gz XOKWBGOMECXUAG-DOTOQJQBSA-N 1 3 371.447 2.632 20 0 FFADHO Fc1ccccc1CC1([NH2+][C@@H]2CCN[C@@H](C(F)(F)F)C2)CCNCC1 ZINC001246380129 1039329122 /nfs/dbraw/zinc/32/91/22/1039329122.db2.gz FMOZZNCJODKOPB-GDBMZVCRSA-N 1 3 359.411 2.763 20 0 FFADHO Fc1ccccc1CC1(N[C@@H]2CCN[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246380129 1039329130 /nfs/dbraw/zinc/32/91/30/1039329130.db2.gz FMOZZNCJODKOPB-GDBMZVCRSA-N 1 3 359.411 2.763 20 0 FFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246495000 1039370968 /nfs/dbraw/zinc/37/09/68/1039370968.db2.gz NGKWGWPOXPBMFO-GOSISDBHSA-N 1 3 355.482 2.778 20 0 FFADHO C[C@H]1C[N@@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C[C@H]1CN ZINC001246544806 1039390042 /nfs/dbraw/zinc/39/00/42/1039390042.db2.gz ZJQIQNHYQFZMIR-BWUHRYBWSA-N 1 3 355.526 2.844 20 0 FFADHO C[C@H]1C[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C[C@H]1CN ZINC001246544806 1039390057 /nfs/dbraw/zinc/39/00/57/1039390057.db2.gz ZJQIQNHYQFZMIR-BWUHRYBWSA-N 1 3 355.526 2.844 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](C3CC(C)(C)OC(C)(C)C3)C[C@@H]1CNCCC2 ZINC001246604407 1039410355 /nfs/dbraw/zinc/41/03/55/1039410355.db2.gz LSBPZWPSZKVBCM-YWZLYKJASA-N 1 3 352.519 2.587 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](C3CC(C)(C)OC(C)(C)C3)C[C@@H]1CNCCC2 ZINC001246604407 1039410361 /nfs/dbraw/zinc/41/03/61/1039410361.db2.gz LSBPZWPSZKVBCM-YWZLYKJASA-N 1 3 352.519 2.587 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCc4c(F)cccc4C3)C[C@@H]1CNCCC2 ZINC001246612462 1039414498 /nfs/dbraw/zinc/41/44/98/1039414498.db2.gz WJFZJKPFSHAZCF-FIKGOQFSSA-N 1 3 360.473 2.548 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCc4c(F)cccc4C3)C[C@@H]1CNCCC2 ZINC001246612462 1039414502 /nfs/dbraw/zinc/41/45/02/1039414502.db2.gz WJFZJKPFSHAZCF-FIKGOQFSSA-N 1 3 360.473 2.548 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1[C@@H]1CCc3ccc(C)cc3C1)CC[NH2+]CC2 ZINC001246611565 1039415220 /nfs/dbraw/zinc/41/52/20/1039415220.db2.gz UOERLEHTAQZBBU-UXHICEINSA-N 1 3 356.510 2.860 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN([C@H]4CCC5(C4)CC[NH2+]CC5)CCN3C2)c1 ZINC001246741430 1039459228 /nfs/dbraw/zinc/45/92/28/1039459228.db2.gz ABERPYRYLMJWGW-QKNQBKEWSA-N 1 3 373.516 2.885 20 0 FFADHO Brc1cccc([C@H]2CN([C@@H]3CC4CC[NH+](CC4)C3)CCN2)c1 ZINC001246808302 1039488746 /nfs/dbraw/zinc/48/87/46/1039488746.db2.gz WIZJSBSGBIYAMP-QZTJIDSGSA-N 1 3 364.331 2.880 20 0 FFADHO CO[C@@H](CN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210427464 1039541274 /nfs/dbraw/zinc/54/12/74/1039541274.db2.gz UCGCOWVCEKUHDZ-RLLQIKCJSA-N 1 3 361.530 2.543 20 0 FFADHO Fc1cccc2nc(-c3ccc4n3CCNC4)n(CC3CC[NH2+]CC3)c21 ZINC001247036726 1039585349 /nfs/dbraw/zinc/58/53/49/1039585349.db2.gz FXKPUXBFIXJFDX-UHFFFAOYSA-N 1 3 353.445 2.747 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001210499392 1039586448 /nfs/dbraw/zinc/58/64/48/1039586448.db2.gz XXOQDHUHGZIDLC-MBOZVWFJSA-N 1 3 361.530 2.925 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001210499392 1039586456 /nfs/dbraw/zinc/58/64/56/1039586456.db2.gz XXOQDHUHGZIDLC-MBOZVWFJSA-N 1 3 361.530 2.925 20 0 FFADHO CCC[C@H](O)C[NH+]1CCC2(C[C@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001252781985 1039700667 /nfs/dbraw/zinc/70/06/67/1039700667.db2.gz ZERJBUGVXDGNLW-UXHICEINSA-N 1 3 361.530 2.546 20 0 FFADHO CCCC[C@@H](CC)COC[C@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001253031650 1039933849 /nfs/dbraw/zinc/93/38/49/1039933849.db2.gz RVNWLGGWHQUNST-XRXFAXGQSA-N 1 3 370.578 2.813 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001253182704 1040027331 /nfs/dbraw/zinc/02/73/31/1040027331.db2.gz SNIAKUZZNOBWSS-YLJYHZDGSA-N 1 3 369.550 2.555 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001253182704 1040027344 /nfs/dbraw/zinc/02/73/44/1040027344.db2.gz SNIAKUZZNOBWSS-YLJYHZDGSA-N 1 3 369.550 2.555 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNC1(Cc2ccccc2Cl)CCOCC1 ZINC001253214751 1040050699 /nfs/dbraw/zinc/05/06/99/1040050699.db2.gz RSBBYOXDPCVFBR-KRWDZBQOSA-N 1 3 354.922 2.724 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343597 1040090928 /nfs/dbraw/zinc/09/09/28/1040090928.db2.gz BKYRWVMCHHNNFO-XMSQKQJNSA-N 1 3 369.553 2.988 20 0 FFADHO CN1CCC[C@H]1CC[NH2+]C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253431971 1040178467 /nfs/dbraw/zinc/17/84/67/1040178467.db2.gz DLCJQODMYWNMEP-OALUTQOASA-N 1 3 362.514 2.576 20 0 FFADHO OC1(C[NH+]2CCC(c3ncccn3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254038259 1040538507 /nfs/dbraw/zinc/53/85/07/1040538507.db2.gz BDYNSPKKIFEXMP-UHFFFAOYSA-N 1 3 366.509 2.683 20 0 FFADHO CN(C)C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001254048402 1040549047 /nfs/dbraw/zinc/54/90/47/1040549047.db2.gz MFEAYVYAJOOZRM-JOCHJYFZSA-N 1 3 367.537 2.906 20 0 FFADHO O[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254050596 1040552427 /nfs/dbraw/zinc/55/24/27/1040552427.db2.gz PNMYJTGZVYRPJL-FCHUYYIVSA-N 1 3 366.505 2.652 20 0 FFADHO O=c1[nH]c2cc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)ccc2o1 ZINC001254054405 1040556762 /nfs/dbraw/zinc/55/67/62/1040556762.db2.gz BJKJDXGMCZUNMD-UHFFFAOYSA-N 1 3 367.449 2.650 20 0 FFADHO Cn1ncc2ccc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc21 ZINC001254055073 1040557479 /nfs/dbraw/zinc/55/74/79/1040557479.db2.gz IBLQYODSLQAZMQ-UHFFFAOYSA-N 1 3 364.493 2.690 20 0 FFADHO COc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc1SC ZINC001249378362 1040704998 /nfs/dbraw/zinc/70/49/98/1040704998.db2.gz CLCVZTLDGYSDSE-UHFFFAOYSA-N 1 3 363.571 2.877 20 0 FFADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3cccc(-c4ccsc4)c3)C[C@@H]21 ZINC001278788367 1040735446 /nfs/dbraw/zinc/73/54/46/1040735446.db2.gz OJTPSFWREKNRCB-SFTDATJTSA-N 1 3 371.550 2.862 20 0 FFADHO CN1CCC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC001254510438 1040761845 /nfs/dbraw/zinc/76/18/45/1040761845.db2.gz WGERJAKALLJZEW-LPHOPBHVSA-N 1 3 351.922 2.787 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001254517781 1040764747 /nfs/dbraw/zinc/76/47/47/1040764747.db2.gz JRMAJPDPEPJTKD-IRFCIJBXSA-N 1 3 359.514 2.816 20 0 FFADHO C[N@H+]1CCC[C@H](N2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001254517781 1040764750 /nfs/dbraw/zinc/76/47/50/1040764750.db2.gz JRMAJPDPEPJTKD-IRFCIJBXSA-N 1 3 359.514 2.816 20 0 FFADHO COCCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254529152 1040784258 /nfs/dbraw/zinc/78/42/58/1040784258.db2.gz DSDHLUQHTUFBPJ-ROUUACIJSA-N 1 3 369.550 2.819 20 0 FFADHO COCCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254529152 1040784268 /nfs/dbraw/zinc/78/42/68/1040784268.db2.gz DSDHLUQHTUFBPJ-ROUUACIJSA-N 1 3 369.550 2.819 20 0 FFADHO CS(=O)(=O)c1ccc(CNCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001261366752 1041189973 /nfs/dbraw/zinc/18/99/73/1041189973.db2.gz DTMHIFXZDXHQQV-UHFFFAOYSA-N 1 3 362.495 2.685 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H](O)c3cccc(Cl)c3)c2)CC1 ZINC001261435915 1041235598 /nfs/dbraw/zinc/23/55/98/1041235598.db2.gz KCARCMPHORFXET-NRFANRHFSA-N 1 3 373.928 2.911 20 0 FFADHO C(OC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H]1CCSC1)C2)C1CC1 ZINC001255283480 1041252238 /nfs/dbraw/zinc/25/22/38/1041252238.db2.gz FDUAEDSTWXUJRX-HSALFYBXSA-N 1 3 350.572 2.952 20 0 FFADHO C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H]1CCSC1)C2)C1CC1 ZINC001255283480 1041252250 /nfs/dbraw/zinc/25/22/50/1041252250.db2.gz FDUAEDSTWXUJRX-HSALFYBXSA-N 1 3 350.572 2.952 20 0 FFADHO Cc1cc(C)c(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)c(C)c1 ZINC001278582475 1041269784 /nfs/dbraw/zinc/26/97/84/1041269784.db2.gz BDQUBLOAUYIGIE-UHFFFAOYSA-N 1 3 357.542 2.988 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(F)cc(F)cc3F)C[C@H]2CC1 ZINC001278588451 1041284065 /nfs/dbraw/zinc/28/40/65/1041284065.db2.gz YRTSXCJJYBSSHJ-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(F)cc(F)cc3F)C[C@H]2CC1 ZINC001278588451 1041284080 /nfs/dbraw/zinc/28/40/80/1041284080.db2.gz YRTSXCJJYBSSHJ-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO Cc1cc(C[N@@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3)C2)ccc1O ZINC001278606161 1041395008 /nfs/dbraw/zinc/39/50/08/1041395008.db2.gz SUBSBHKVTVQCHY-NRFANRHFSA-N 1 3 354.498 2.885 20 0 FFADHO Cc1cc(C[N@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3)C2)ccc1O ZINC001278606161 1041395020 /nfs/dbraw/zinc/39/50/20/1041395020.db2.gz SUBSBHKVTVQCHY-NRFANRHFSA-N 1 3 354.498 2.885 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC001214861021 1041598200 /nfs/dbraw/zinc/59/82/00/1041598200.db2.gz FWYRLHZNUFUSSO-OXQOHEQNSA-N 1 3 361.505 2.679 20 0 FFADHO Cn1nc(C(=O)OC(C)(C)C)cc1CN1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001262378637 1041667053 /nfs/dbraw/zinc/66/70/53/1041667053.db2.gz HGAYFMHBQZHDMQ-OWCLPIDISA-N 1 3 362.518 2.538 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCc1cccs1 ZINC001215567666 1041829285 /nfs/dbraw/zinc/82/92/85/1041829285.db2.gz CQKDKWLNJCAYLZ-NVXWUHKLSA-N 1 3 351.560 2.705 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001216002337 1041928885 /nfs/dbraw/zinc/92/88/85/1041928885.db2.gz RGEZMLCIEFMWNV-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001216844644 1042141607 /nfs/dbraw/zinc/14/16/07/1042141607.db2.gz HURANWHWGSKDNI-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO COc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380282282 1042324621 /nfs/dbraw/zinc/32/46/21/1042324621.db2.gz PTFVXCOANMIJCR-UXHICEINSA-N 1 3 370.493 2.547 20 0 FFADHO COc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380282282 1042324628 /nfs/dbraw/zinc/32/46/28/1042324628.db2.gz PTFVXCOANMIJCR-UXHICEINSA-N 1 3 370.493 2.547 20 0 FFADHO CC(C)OCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001263988100 1042566312 /nfs/dbraw/zinc/56/63/12/1042566312.db2.gz FRVHZJXENLCGPV-AABGKKOBSA-N 1 3 367.578 2.891 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1Cc1ncccc1C ZINC001264611537 1042743906 /nfs/dbraw/zinc/74/39/06/1042743906.db2.gz LRSWDIRIQYGJAO-WSTZPKSXSA-N 1 3 358.530 2.734 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CCN1Cc1ncccc1C ZINC001264611537 1042743908 /nfs/dbraw/zinc/74/39/08/1042743908.db2.gz LRSWDIRIQYGJAO-WSTZPKSXSA-N 1 3 358.530 2.734 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCOCCC(C)C ZINC001264612991 1042744938 /nfs/dbraw/zinc/74/49/38/1042744938.db2.gz UAIQPKOHBUYBDM-RBUKOAKNSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccc2cc[nH]c2c1 ZINC001264716820 1042799463 /nfs/dbraw/zinc/79/94/63/1042799463.db2.gz ZBSSLJUJCWATQE-QAPCUYQASA-N 1 3 354.498 2.589 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc(O)c(OC)c3)(C1)CCC2 ZINC001279185583 1042937669 /nfs/dbraw/zinc/93/76/69/1042937669.db2.gz VEDNWZLYJYLSSQ-UXHICEINSA-N 1 3 364.486 2.546 20 0 FFADHO CC(=O)n1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c2ccccc21 ZINC001279330396 1043004204 /nfs/dbraw/zinc/00/42/04/1043004204.db2.gz LSJJJGMKNDILJE-SFTDATJTSA-N 1 3 354.498 2.512 20 0 FFADHO CC(=O)n1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c2ccccc21 ZINC001279330396 1043004205 /nfs/dbraw/zinc/00/42/05/1043004205.db2.gz LSJJJGMKNDILJE-SFTDATJTSA-N 1 3 354.498 2.512 20 0 FFADHO Cc1c(F)cccc1C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001279342727 1043013671 /nfs/dbraw/zinc/01/36/71/1043013671.db2.gz XWDRGJAYHYHZFM-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO Cc1nc(C)c(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)s1 ZINC001279387549 1043043726 /nfs/dbraw/zinc/04/37/26/1043043726.db2.gz QULFTRVRPDFKLI-LJQANCHMSA-N 1 3 350.576 3.000 20 0 FFADHO Cc1nc(C)c(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)s1 ZINC001279387549 1043043733 /nfs/dbraw/zinc/04/37/33/1043043733.db2.gz QULFTRVRPDFKLI-LJQANCHMSA-N 1 3 350.576 3.000 20 0 FFADHO OCCOc1ccc(C[NH+]2CCC3(CC2)NCCc2ccccc23)cc1 ZINC001237277254 1043086868 /nfs/dbraw/zinc/08/68/68/1043086868.db2.gz ODRXZGKICJLZLY-UHFFFAOYSA-N 1 3 352.478 2.695 20 0 FFADHO Cc1cc(CN2CCC3(CC[N@@H+](Cc4cc(C)nn4C)C3)CC2)sn1 ZINC001279480449 1043165315 /nfs/dbraw/zinc/16/53/15/1043165315.db2.gz DPHNJBDJFRZQSO-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Cc1cc(CN2CCC3(CC[N@H+](Cc4cc(C)nn4C)C3)CC2)sn1 ZINC001279480449 1043165318 /nfs/dbraw/zinc/16/53/18/1043165318.db2.gz DPHNJBDJFRZQSO-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)o1 ZINC001279488130 1043172075 /nfs/dbraw/zinc/17/20/75/1043172075.db2.gz FMFGCNIVLNTXJU-KRWDZBQOSA-N 1 3 361.530 2.958 20 0 FFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cn4ccccc4n3)C2)C1 ZINC001279627367 1043363825 /nfs/dbraw/zinc/36/38/25/1043363825.db2.gz UXTSUQILLDMHQZ-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccc(Cl)nc3)C2)C1 ZINC001279650182 1043402417 /nfs/dbraw/zinc/40/24/17/1043402417.db2.gz ORQAVZNYPRDJKX-IBGZPJMESA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3n[nH]c4ccccc43)CC2)C1 ZINC001279662234 1043421645 /nfs/dbraw/zinc/42/16/45/1043421645.db2.gz JZLUTBUAHCRKKB-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3n[nH]c4ccccc43)CC2)C1 ZINC001279662234 1043421654 /nfs/dbraw/zinc/42/16/54/1043421654.db2.gz JZLUTBUAHCRKKB-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3[nH]nc4ccccc43)CC2)C1 ZINC001279662234 1043421664 /nfs/dbraw/zinc/42/16/64/1043421664.db2.gz JZLUTBUAHCRKKB-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3[nH]nc4ccccc43)CC2)C1 ZINC001279662234 1043421669 /nfs/dbraw/zinc/42/16/69/1043421669.db2.gz JZLUTBUAHCRKKB-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO c1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279675577 1043449169 /nfs/dbraw/zinc/44/91/69/1043449169.db2.gz VKKQPAYMGQPLEK-UHFFFAOYSA-N 1 3 352.486 2.707 20 0 FFADHO c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279675577 1043449175 /nfs/dbraw/zinc/44/91/75/1043449175.db2.gz VKKQPAYMGQPLEK-UHFFFAOYSA-N 1 3 352.486 2.707 20 0 FFADHO Cc1cc(C)c(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cn1 ZINC001279680676 1043457662 /nfs/dbraw/zinc/45/76/62/1043457662.db2.gz HMFIOEQDHZNMII-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO Cc1cc(C)c(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cn1 ZINC001279680676 1043457668 /nfs/dbraw/zinc/45/76/68/1043457668.db2.gz HMFIOEQDHZNMII-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(N4CCCCC4)n3)CC2)CC1 ZINC001238007965 1043481798 /nfs/dbraw/zinc/48/17/98/1043481798.db2.gz XVJNKIRGOJEVMZ-UHFFFAOYSA-N 1 3 371.573 2.531 20 0 FFADHO CN1CCO[C@]2(CCCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001278176395 1043483547 /nfs/dbraw/zinc/48/35/47/1043483547.db2.gz VRLBAASPEQECRU-FGZHOGPDSA-N 1 3 357.542 2.695 20 0 FFADHO CN1CCO[C@]2(CCCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001278176395 1043483548 /nfs/dbraw/zinc/48/35/48/1043483548.db2.gz VRLBAASPEQECRU-FGZHOGPDSA-N 1 3 357.542 2.695 20 0 FFADHO Cc1c[nH]c(=O)c(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001279709126 1043508665 /nfs/dbraw/zinc/50/86/65/1043508665.db2.gz SOEHGAUPEFIBGV-UHFFFAOYSA-N 1 3 355.486 2.697 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(c4ccccc4C[NH+](C)C)[C@@H]3C2)n(C)n1 ZINC001279761746 1043601616 /nfs/dbraw/zinc/60/16/16/1043601616.db2.gz GECGWNKIVMUAJA-GHTZIAJQSA-N 1 3 353.514 2.501 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccsc2)CC3)CC1 ZINC001279782886 1043635786 /nfs/dbraw/zinc/63/57/86/1043635786.db2.gz OFSBBDOLUGCNNF-SFHVURJKSA-N 1 3 361.555 2.903 20 0 FFADHO CCCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC001311397633 1043908199 /nfs/dbraw/zinc/90/81/99/1043908199.db2.gz VLBSSWOFYFOAJA-NHCUHLMSSA-N 1 3 372.557 2.949 20 0 FFADHO CCCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)[C@@H]1CC[N@@H+](C)C1 ZINC001311397633 1043908205 /nfs/dbraw/zinc/90/82/05/1043908205.db2.gz VLBSSWOFYFOAJA-NHCUHLMSSA-N 1 3 372.557 2.949 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001311770362 1043974254 /nfs/dbraw/zinc/97/42/54/1043974254.db2.gz PDALFKFMJKTSLB-BBRMVZONSA-N 1 3 374.451 2.948 20 0 FFADHO CC[NH+](CC)CCn1cc(-c2cccc3cc([C@H]4CNCCO4)cn32)cn1 ZINC001239210288 1044070757 /nfs/dbraw/zinc/07/07/57/1044070757.db2.gz XRLDRSFIZKVMAL-OAQYLSRUSA-N 1 3 367.497 2.806 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001239215243 1044072431 /nfs/dbraw/zinc/07/24/31/1044072431.db2.gz JYBAXWFHBFVPEI-CYBMUJFWSA-N 1 3 374.382 2.840 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Oc1ccccc1C(F)(F)F ZINC001239320094 1044099458 /nfs/dbraw/zinc/09/94/58/1044099458.db2.gz YAECSDCFXKVULP-GFCCVEGCSA-N 1 3 357.376 2.668 20 0 FFADHO c1ncn2c1cccc2C[NH2+][C@@]12CC[C@@](NCc3cn[nH]c3)(C1)CCC2 ZINC001280047516 1044135636 /nfs/dbraw/zinc/13/56/36/1044135636.db2.gz MRPCFOZVDKSKFI-UXHICEINSA-N 1 3 350.470 2.782 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C[C@@H](C)c1ccccc1)C2 ZINC001280192856 1044380654 /nfs/dbraw/zinc/38/06/54/1044380654.db2.gz DCJOGCDXXXWAPN-UYAOXDASSA-N 1 3 357.542 2.912 20 0 FFADHO Cc1ccc([C@H](C)CCN2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)o1 ZINC001280232541 1044434271 /nfs/dbraw/zinc/43/42/71/1044434271.db2.gz MIPBLEQMLVWTGI-QAPCUYQASA-N 1 3 359.514 2.614 20 0 FFADHO O=c1cccc(CN2CC[C@H]3C[N@@H+](CCCn4cccc4)C[C@H]3CC2)[nH]1 ZINC001280271684 1044511864 /nfs/dbraw/zinc/51/18/64/1044511864.db2.gz VFHPCAXMQUZKAU-KDURUIRLSA-N 1 3 354.498 2.823 20 0 FFADHO O=c1cccc(CN2CC[C@H]3C[N@H+](CCCn4cccc4)C[C@H]3CC2)[nH]1 ZINC001280271684 1044511879 /nfs/dbraw/zinc/51/18/79/1044511879.db2.gz VFHPCAXMQUZKAU-KDURUIRLSA-N 1 3 354.498 2.823 20 0 FFADHO CN(C)/C=C/c1ccncc1-c1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001241784976 1044606058 /nfs/dbraw/zinc/60/60/58/1044606058.db2.gz QWSZUDUXHGDMRZ-RVDMUPIBSA-N 1 3 352.482 2.962 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3C[C@@]32C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC001280327549 1044614717 /nfs/dbraw/zinc/61/47/17/1044614717.db2.gz PHXTUGBGOSMXLE-KNQAVFIVSA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1cc(F)cc(F)c1 ZINC001318527181 1044730174 /nfs/dbraw/zinc/73/01/74/1044730174.db2.gz MRMABTLYDJQLJF-OKZBNKHCSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1cc(F)cc(F)c1 ZINC001318527181 1044730192 /nfs/dbraw/zinc/73/01/92/1044730192.db2.gz MRMABTLYDJQLJF-OKZBNKHCSA-N 1 3 353.457 2.680 20 0 FFADHO C[C@@H](CNCc1ccc(Cl)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319462360 1045158221 /nfs/dbraw/zinc/15/82/21/1045158221.db2.gz VRJNNGFEURCBSF-GZBFAFLISA-N 1 3 355.885 2.756 20 0 FFADHO C[C@@H](CNCc1ccc(Cl)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319462360 1045158228 /nfs/dbraw/zinc/15/82/28/1045158228.db2.gz VRJNNGFEURCBSF-GZBFAFLISA-N 1 3 355.885 2.756 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)c2)CC1 ZINC001320350320 1045395081 /nfs/dbraw/zinc/39/50/81/1045395081.db2.gz VQRSOBMZHMUEFU-UXHICEINSA-N 1 3 373.545 2.823 20 0 FFADHO COc1cc(Cl)ccc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283611617 1046408783 /nfs/dbraw/zinc/40/87/83/1046408783.db2.gz HSDSGAWKHXSCJT-CKEIUWERSA-N 1 3 367.921 2.625 20 0 FFADHO COc1cc(Cl)ccc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283611617 1046408790 /nfs/dbraw/zinc/40/87/90/1046408790.db2.gz HSDSGAWKHXSCJT-CKEIUWERSA-N 1 3 367.921 2.625 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001326040397 1046738503 /nfs/dbraw/zinc/73/85/03/1046738503.db2.gz WVZBGFYRNQMGRL-VQIMIIECSA-N 1 3 352.482 2.804 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000652290600 1047866796 /nfs/dbraw/zinc/86/67/96/1047866796.db2.gz JJTNNWDWMORATH-IBGZPJMESA-N 1 3 358.461 2.647 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC001332519884 1048432809 /nfs/dbraw/zinc/43/28/09/1048432809.db2.gz NXHSXBIQWYGQFC-ICSRJNTNSA-N 1 3 365.477 2.938 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc(Cl)n1 ZINC001333311612 1048826918 /nfs/dbraw/zinc/82/69/18/1048826918.db2.gz UJLWTKWUSQLMLA-WMLDXEAASA-N 1 3 373.888 2.566 20 0 FFADHO O[C@]1(C2CC2)CCN(Cc2cc(C[N@@H+]3CC[C@](O)(C4CC4)C3)ccc2F)C1 ZINC001330598244 1049223159 /nfs/dbraw/zinc/22/31/59/1049223159.db2.gz KQLQVKRTQVZFGG-FGZHOGPDSA-N 1 3 374.500 2.519 20 0 FFADHO O[C@]1(C2CC2)CCN(Cc2cc(C[N@H+]3CC[C@](O)(C4CC4)C3)ccc2F)C1 ZINC001330598244 1049223166 /nfs/dbraw/zinc/22/31/66/1049223166.db2.gz KQLQVKRTQVZFGG-FGZHOGPDSA-N 1 3 374.500 2.519 20 0 FFADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1(NC2CC2)CCC1 ZINC001330969661 1049417909 /nfs/dbraw/zinc/41/79/09/1049417909.db2.gz JSESCRPZHOKMHB-LJQANCHMSA-N 1 3 354.498 2.584 20 0 FFADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1(NC2CC2)CCC1 ZINC001330969661 1049417915 /nfs/dbraw/zinc/41/79/15/1049417915.db2.gz JSESCRPZHOKMHB-LJQANCHMSA-N 1 3 354.498 2.584 20 0 FFADHO CCC[NH+]1CCC(Cn2c(C)nnc2N2CCN(C3CCCC3)CC2)CC1 ZINC001294643310 1049786886 /nfs/dbraw/zinc/78/68/86/1049786886.db2.gz ZWESPGYBBRNJSF-UHFFFAOYSA-N 1 3 374.577 2.773 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001295977494 1050007838 /nfs/dbraw/zinc/00/78/38/1050007838.db2.gz HYZHEWQQPYMAQJ-IRXDYDNUSA-N 1 3 362.566 2.770 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001296066118 1050018397 /nfs/dbraw/zinc/01/83/97/1050018397.db2.gz AAFKKOURQMSOGG-GOSISDBHSA-N 1 3 374.577 2.950 20 0 FFADHO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001296066118 1050018401 /nfs/dbraw/zinc/01/84/01/1050018401.db2.gz AAFKKOURQMSOGG-GOSISDBHSA-N 1 3 374.577 2.950 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001296392552 1050056211 /nfs/dbraw/zinc/05/62/11/1050056211.db2.gz HEVLHNNKULKANM-OALUTQOASA-N 1 3 361.530 2.706 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)N(C)Cc1ccccc1 ZINC001339784261 1050205027 /nfs/dbraw/zinc/20/50/27/1050205027.db2.gz KEAWKLHSGCOAQP-PMXSJFBMSA-N 1 3 372.557 2.879 20 0 FFADHO CCC[N@@H+]1CCCC[C@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001340928946 1051258984 /nfs/dbraw/zinc/25/89/84/1051258984.db2.gz KYICOANDZFOBPY-XLIONFOSSA-N 1 3 358.530 2.988 20 0 FFADHO CCC[N@H+]1CCCC[C@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001340928946 1051258994 /nfs/dbraw/zinc/25/89/94/1051258994.db2.gz KYICOANDZFOBPY-XLIONFOSSA-N 1 3 358.530 2.988 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1[nH]nc2c1COCC2 ZINC001341058911 1051399484 /nfs/dbraw/zinc/39/94/84/1051399484.db2.gz DAERQZCXLIPTJS-HOTGVXAUSA-N 1 3 354.498 2.729 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341071533 1051414523 /nfs/dbraw/zinc/41/45/23/1051414523.db2.gz BPBHCWWLDSYYGW-KGLIPLIRSA-N 1 3 369.387 2.846 20 0 FFADHO CC(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001344939153 1052147644 /nfs/dbraw/zinc/14/76/44/1052147644.db2.gz LGHREYLRPFXHRA-QZTJIDSGSA-N 1 3 362.566 2.520 20 0 FFADHO CC(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001344939153 1052147645 /nfs/dbraw/zinc/14/76/45/1052147645.db2.gz LGHREYLRPFXHRA-QZTJIDSGSA-N 1 3 362.566 2.520 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])N2CCCC2)cc1 ZINC001343407785 1052212483 /nfs/dbraw/zinc/21/24/83/1052212483.db2.gz LYUCTBUFQFXDQF-FXAWDEMLSA-N 1 3 367.497 2.552 20 0 FFADHO NC(=O)C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC001308671893 1052484333 /nfs/dbraw/zinc/48/43/33/1052484333.db2.gz DZKKHJGKTLJLIX-SFHVURJKSA-N 1 3 358.873 2.910 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@]21C[NH3+])c1ccsc1 ZINC001335929127 1053650913 /nfs/dbraw/zinc/65/09/13/1053650913.db2.gz IGYIXIUWTREWLQ-NUJGCVRESA-N 1 3 350.532 2.654 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCCC2)C[C@H]1C(F)(F)F ZINC001336752025 1054194071 /nfs/dbraw/zinc/19/40/71/1054194071.db2.gz ZUNZVXFPGVTPPO-RRFJBIMHSA-N 1 3 350.425 2.972 20 0 FFADHO C[N@H+](Cc1ccc2nc(NC(=O)N3CCN4CC[C@H]3C4)sc2c1)C1CC1 ZINC001347761301 1054293146 /nfs/dbraw/zinc/29/31/46/1054293146.db2.gz UVQZXHOJWOFRLM-HNNXBMFYSA-N 1 3 371.510 2.812 20 0 FFADHO C[N@@H+](Cc1ccc2nc(NC(=O)N3CCN4CC[C@H]3C4)sc2c1)C1CC1 ZINC001347761301 1054293160 /nfs/dbraw/zinc/29/31/60/1054293160.db2.gz UVQZXHOJWOFRLM-HNNXBMFYSA-N 1 3 371.510 2.812 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001543406971 1071468703 /nfs/dbraw/zinc/46/87/03/1071468703.db2.gz VOBDRZWYWXSINA-UHFFFAOYSA-N 1 3 365.587 2.730 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001349354174 1055204487 /nfs/dbraw/zinc/20/44/87/1055204487.db2.gz CJOKWNCXCAQAME-ZJSJBZJDSA-N 1 3 370.541 2.844 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001349354174 1055204493 /nfs/dbraw/zinc/20/44/93/1055204493.db2.gz CJOKWNCXCAQAME-ZJSJBZJDSA-N 1 3 370.541 2.844 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](c4ccccc4F)CC3=O)C[C@@H]2C1 ZINC001356057997 1055251454 /nfs/dbraw/zinc/25/14/54/1055251454.db2.gz WBKJEKRTCWWNGK-XMTFNYHQSA-N 1 3 359.489 2.761 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(-n2nc(C)cc2C)cc1 ZINC000849059633 1055613528 /nfs/dbraw/zinc/61/35/28/1055613528.db2.gz YRYKZZFUHXPDMV-HXUWFJFHSA-N 1 3 368.529 2.630 20 0 FFADHO [NH2+]=C(NCCOCc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849091123 1055636398 /nfs/dbraw/zinc/63/63/98/1055636398.db2.gz TWSXQBUJFNXEOI-UHFFFAOYSA-N 1 3 366.509 2.982 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001357561178 1055947358 /nfs/dbraw/zinc/94/73/58/1055947358.db2.gz RRWKPPQHYKFANS-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001350843002 1055964723 /nfs/dbraw/zinc/96/47/23/1055964723.db2.gz SKACYZOKNGAJEL-RBUKOAKNSA-N 1 3 374.577 2.717 20 0 FFADHO S=C(NCCN1CCCCC1)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001200425126 1056660555 /nfs/dbraw/zinc/66/05/55/1056660555.db2.gz FFTIXUCKEBPMBG-PMACEKPBSA-N 1 3 372.582 2.553 20 0 FFADHO S=C(NCCN1CCCCC1)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001200425126 1056660557 /nfs/dbraw/zinc/66/05/57/1056660557.db2.gz FFTIXUCKEBPMBG-PMACEKPBSA-N 1 3 372.582 2.553 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@H]3CCCN3CC(C)C)CCCC2)CC1 ZINC001444213962 1058283318 /nfs/dbraw/zinc/28/33/18/1058283318.db2.gz YALJLIMNPHJXSY-LJQANCHMSA-N 1 3 365.562 2.647 20 0 FFADHO c1nc(CC2CC[NH2+]CC2)sc1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001353963674 1058433285 /nfs/dbraw/zinc/43/32/85/1058433285.db2.gz SKFLEXKZCHFUCS-CQSZACIVSA-N 1 3 359.499 2.544 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001513914382 1058665953 /nfs/dbraw/zinc/66/59/53/1058665953.db2.gz PRXZJIZWAUEXNJ-UHFFFAOYSA-N 1 3 374.577 2.635 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001354246162 1058764971 /nfs/dbraw/zinc/76/49/71/1058764971.db2.gz HPZAHMOYPSMRBI-ACRUOGEOSA-N 1 3 370.541 2.721 20 0 FFADHO CCC[N@@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)C1 ZINC001547172687 1071927707 /nfs/dbraw/zinc/92/77/07/1071927707.db2.gz AIDFJCGEBMCOBI-BZSNNMDCSA-N 1 3 374.577 2.806 20 0 FFADHO CCC[N@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)C1 ZINC001547172687 1071927714 /nfs/dbraw/zinc/92/77/14/1071927714.db2.gz AIDFJCGEBMCOBI-BZSNNMDCSA-N 1 3 374.577 2.806 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CC3)n2CC[NH+]2CCCCCC2)CC1 ZINC001509418867 1060080763 /nfs/dbraw/zinc/08/07/63/1060080763.db2.gz GIFVUSWAWLHJQZ-UHFFFAOYSA-N 1 3 374.577 2.810 20 0 FFADHO N[C@H](C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCCC1 ZINC001355546465 1060347803 /nfs/dbraw/zinc/34/78/03/1060347803.db2.gz INPYWCWORVYMLB-HFSMHLIXSA-N 1 3 357.498 2.656 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1ccco1 ZINC001457812310 1060450284 /nfs/dbraw/zinc/45/02/84/1060450284.db2.gz IUXUVQSQVBRGLA-JZXOWHBKSA-N 1 3 356.470 2.747 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001547681605 1071987489 /nfs/dbraw/zinc/98/74/89/1071987489.db2.gz JEQNFHTYSWMZFE-LJQANCHMSA-N 1 3 360.550 2.526 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001547681605 1071987498 /nfs/dbraw/zinc/98/74/98/1071987498.db2.gz JEQNFHTYSWMZFE-LJQANCHMSA-N 1 3 360.550 2.526 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc2n(n1)CCC[C@@H]2N)c1ccccc1 ZINC001521476566 1060610574 /nfs/dbraw/zinc/61/05/74/1060610574.db2.gz LEXDCRSBOBOHGT-HOCLYGCPSA-N 1 3 355.486 2.536 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCCN2C2CC2)CCCCCC1 ZINC001477331060 1061670495 /nfs/dbraw/zinc/67/04/95/1061670495.db2.gz JMQOJFJAZPZRCO-GOSISDBHSA-N 1 3 350.551 2.957 20 0 FFADHO COC(=O)[C@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)CC1CCCC1 ZINC001462652467 1061709003 /nfs/dbraw/zinc/70/90/03/1061709003.db2.gz REFUSNSQJHWHKH-JSOIOWGOSA-N 1 3 366.546 2.979 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)c2ccccc2O1 ZINC001545762001 1062305576 /nfs/dbraw/zinc/30/55/76/1062305576.db2.gz ACVKVRKSFZRSQX-IBGZPJMESA-N 1 3 367.493 2.760 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001479478232 1062454491 /nfs/dbraw/zinc/45/44/91/1062454491.db2.gz ZIZKRFFIXKEYGX-YOEHRIQHSA-N 1 3 352.910 2.584 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001479478232 1062454512 /nfs/dbraw/zinc/45/45/12/1062454512.db2.gz ZIZKRFFIXKEYGX-YOEHRIQHSA-N 1 3 352.910 2.584 20 0 FFADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNCC=C(Cl)Cl)C1 ZINC001479581031 1062580584 /nfs/dbraw/zinc/58/05/84/1062580584.db2.gz NOVHNJWZBMMKTJ-ILXRZTDVSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](CNCC=C(Cl)Cl)C1 ZINC001479581031 1062580597 /nfs/dbraw/zinc/58/05/97/1062580597.db2.gz NOVHNJWZBMMKTJ-ILXRZTDVSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729018 1062964827 /nfs/dbraw/zinc/96/48/27/1062964827.db2.gz FILIDLLYNAVBHL-CEXWTWQISA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729018 1062964856 /nfs/dbraw/zinc/96/48/56/1062964856.db2.gz FILIDLLYNAVBHL-CEXWTWQISA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccc(OC)cc1 ZINC001479751248 1062987949 /nfs/dbraw/zinc/98/79/49/1062987949.db2.gz KDJZQHLEESZXAC-UIAACRFSSA-N 1 3 370.497 2.591 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001472135370 1064947056 /nfs/dbraw/zinc/94/70/56/1064947056.db2.gz YQWSXMNEJRAZBS-OAQYLSRUSA-N 1 3 373.541 2.610 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001472135370 1064947070 /nfs/dbraw/zinc/94/70/70/1064947070.db2.gz YQWSXMNEJRAZBS-OAQYLSRUSA-N 1 3 373.541 2.610 20 0 FFADHO COc1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1C(C)(C)C ZINC001473989367 1065434224 /nfs/dbraw/zinc/43/42/24/1065434224.db2.gz CJGLKORZGSDRAS-QGZVFWFLSA-N 1 3 361.530 2.670 20 0 FFADHO CCC[N@@H+]1CC[C@H](NCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001474220207 1065472776 /nfs/dbraw/zinc/47/27/76/1065472776.db2.gz AGSZBQYEFYORRK-HNNXBMFYSA-N 1 3 355.429 2.644 20 0 FFADHO CCC[N@H+]1CC[C@H](NCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001474220207 1065472778 /nfs/dbraw/zinc/47/27/78/1065472778.db2.gz AGSZBQYEFYORRK-HNNXBMFYSA-N 1 3 355.429 2.644 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC001577084949 1078302435 /nfs/dbraw/zinc/30/24/35/1078302435.db2.gz RXRIMJJBBKKIDN-AHRSYUTCSA-N 1 3 358.530 2.592 20 0 FFADHO CC[C@@H]([NH3+])Cn1c(-c2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577131656 1078307675 /nfs/dbraw/zinc/30/76/75/1078307675.db2.gz OGVHYIONXVDJKQ-OAHLLOKOSA-N 1 3 374.508 2.742 20 0 FFADHO CCC[NH2+]CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001577561653 1078376706 /nfs/dbraw/zinc/37/67/06/1078376706.db2.gz HEDXZAMXEOXHGQ-CVEARBPZSA-N 1 3 374.533 2.765 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@]23CCC[NH2+]C3)N(C)C)cc1 ZINC001579667644 1078659361 /nfs/dbraw/zinc/65/93/61/1078659361.db2.gz PGAUPRYZVLEISR-CTNGQTDRSA-N 1 3 358.530 2.915 20 0 FFADHO [NH3+][C@@H](CN[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)CC(F)F ZINC001580131899 1078753392 /nfs/dbraw/zinc/75/33/92/1078753392.db2.gz IIJLVNFJHAUIAE-NEPJUHHUSA-N 1 3 356.367 2.715 20 0 FFADHO [NH3+][C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1c1ccc(F)cc1 ZINC001549029308 1073600184 /nfs/dbraw/zinc/60/01/84/1073600184.db2.gz MXYZQSPKUYMLNX-RTWAWAEBSA-N 1 3 367.468 2.988 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)cc(Cl)n1 ZINC001549210336 1073692276 /nfs/dbraw/zinc/69/22/76/1073692276.db2.gz YMICSBPYDIUBMY-KSZLIROESA-N 1 3 372.900 2.695 20 0 FFADHO c1ccc([C@@H]2CC[NH2+]C[C@H]2NC2CCN(Cc3ccccn3)CC2)cc1 ZINC001549338583 1073754474 /nfs/dbraw/zinc/75/44/74/1073754474.db2.gz YXTVDVLAAYAOCC-FCHUYYIVSA-N 1 3 350.510 2.781 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC001550279638 1074196641 /nfs/dbraw/zinc/19/66/41/1074196641.db2.gz KYBXNQVGQKACSB-ZKVVCRCRSA-N 1 3 364.921 2.773 20 0 FFADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001550363011 1074230848 /nfs/dbraw/zinc/23/08/48/1074230848.db2.gz UWAKLUIXNYEENR-RBUKOAKNSA-N 1 3 370.497 2.616 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(C(C)(C)C)nc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423117 1074260666 /nfs/dbraw/zinc/26/06/66/1074260666.db2.gz HZXNDVCOXVXFFE-WKRCXCSHSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(C(C)(C)C)nc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423117 1074260673 /nfs/dbraw/zinc/26/06/73/1074260673.db2.gz HZXNDVCOXVXFFE-WKRCXCSHSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3nccc4c3CCCC4)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424163 1074264097 /nfs/dbraw/zinc/26/40/97/1074264097.db2.gz YRQOIIADEOXTAD-ZDFPQIBNSA-N 1 3 357.542 2.920 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3nccc4c3CCCC4)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424163 1074264102 /nfs/dbraw/zinc/26/41/02/1074264102.db2.gz YRQOIIADEOXTAD-ZDFPQIBNSA-N 1 3 357.542 2.920 20 0 FFADHO Cn1nccc1[C@@H]1[C@@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCCN1C ZINC001550473873 1074291286 /nfs/dbraw/zinc/29/12/86/1074291286.db2.gz RXNRSGHVSBCNQQ-XCJLJZCSSA-N 1 3 359.562 2.561 20 0 FFADHO CN(C(=O)NC1CCC2(C[C@@H]2[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001551548225 1074752767 /nfs/dbraw/zinc/75/27/67/1074752767.db2.gz HACZRXHZJPWDMT-JMDAGXMHSA-N 1 3 356.514 2.562 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CN1Cc1ccccc1 ZINC001551555112 1074755369 /nfs/dbraw/zinc/75/53/69/1074755369.db2.gz ZTUCCKPIQDGWIQ-LIEGOMBTSA-N 1 3 356.514 2.609 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC001556090474 1075699741 /nfs/dbraw/zinc/69/97/41/1075699741.db2.gz XCXZUTFWUITCDS-ROUUACIJSA-N 1 3 358.530 2.886 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC001556090474 1075699744 /nfs/dbraw/zinc/69/97/44/1075699744.db2.gz XCXZUTFWUITCDS-ROUUACIJSA-N 1 3 358.530 2.886 20 0 FFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC001560395692 1076269817 /nfs/dbraw/zinc/26/98/17/1076269817.db2.gz XYJBYARLJDNUKK-UXHICEINSA-N 1 3 370.497 2.553 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001563461564 1076556464 /nfs/dbraw/zinc/55/64/64/1076556464.db2.gz IOCUTQFUDSXIQH-FQEVSTJZSA-N 1 3 360.546 2.854 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001563461564 1076556469 /nfs/dbraw/zinc/55/64/69/1076556469.db2.gz IOCUTQFUDSXIQH-FQEVSTJZSA-N 1 3 360.546 2.854 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1)N(C)C ZINC001565909725 1076795523 /nfs/dbraw/zinc/79/55/23/1076795523.db2.gz PYCMWNFCOGWIBT-SCRDCRAPSA-N 1 3 358.939 2.511 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1sc(C)nc1C ZINC001565977347 1076823632 /nfs/dbraw/zinc/82/36/32/1076823632.db2.gz ZFDNHDXGKNPPEC-PBHICJAKSA-N 1 3 366.575 2.818 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)Cc1ccco1 ZINC000092821217 250005007 /nfs/dbraw/zinc/00/50/07/250005007.db2.gz BJEOMNKQMSRBET-UHFFFAOYSA-N 1 3 370.497 2.872 20 0 FFADHO CS[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000117487633 250349410 /nfs/dbraw/zinc/34/94/10/250349410.db2.gz NALHJAFJSICVNP-SJLPKXTDSA-N 1 3 368.591 2.518 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000173540629 251203250 /nfs/dbraw/zinc/20/32/50/251203250.db2.gz VJNWBXSSOVDPCT-XLIONFOSSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000251881510 251305600 /nfs/dbraw/zinc/30/56/00/251305600.db2.gz VBYPEHCVIOWIKR-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000268737552 251370525 /nfs/dbraw/zinc/37/05/25/251370525.db2.gz ORCFXKBMUQGDOV-PXNSSMCTSA-N 1 3 350.503 2.863 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000267393631 251342767 /nfs/dbraw/zinc/34/27/67/251342767.db2.gz XHDAVYXPDQCDCX-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268811200 251390793 /nfs/dbraw/zinc/39/07/93/251390793.db2.gz KWRRLBVHXQVACV-INIZCTEOSA-N 1 3 350.507 2.835 20 0 FFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268811200 251390795 /nfs/dbraw/zinc/39/07/95/251390795.db2.gz KWRRLBVHXQVACV-INIZCTEOSA-N 1 3 350.507 2.835 20 0 FFADHO C[C@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)CCN1Cc1ccccc1 ZINC000268768975 251379817 /nfs/dbraw/zinc/37/98/17/251379817.db2.gz OZHJXEFPYWIZCE-SIKLNZKXSA-N 1 3 358.574 2.655 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)CCN1Cc1ccccc1 ZINC000268768973 251380064 /nfs/dbraw/zinc/38/00/64/251380064.db2.gz OZHJXEFPYWIZCE-KNQAVFIVSA-N 1 3 358.574 2.655 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000272656103 252094439 /nfs/dbraw/zinc/09/44/39/252094439.db2.gz GSSJSXDIYJIMDX-DXBBTUNJSA-N 1 3 358.526 2.664 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OCCN(C)C)cc3)CC2)n[nH]1 ZINC000275941793 256060454 /nfs/dbraw/zinc/06/04/54/256060454.db2.gz SQRATTBEGVCLGD-KRWDZBQOSA-N 1 3 371.529 2.978 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)NCC1CC[NH+](C2CC2)CC1 ZINC000277986570 256264207 /nfs/dbraw/zinc/26/42/07/256264207.db2.gz WGDNJBXRDHHEKD-UHFFFAOYSA-N 1 3 370.541 2.608 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278408166 256309572 /nfs/dbraw/zinc/30/95/72/256309572.db2.gz GSQZBEIKCQPHRP-UHFFFAOYSA-N 1 3 357.542 2.884 20 0 FFADHO Cc1ccc([C@H](CCn2cncn2)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278455378 256315173 /nfs/dbraw/zinc/31/51/73/256315173.db2.gz ISQPCABLNBXTBS-FPOVZHCZSA-N 1 3 371.529 2.808 20 0 FFADHO Cc1ccc([C@H](CCn2cncn2)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278455378 256315175 /nfs/dbraw/zinc/31/51/75/256315175.db2.gz ISQPCABLNBXTBS-FPOVZHCZSA-N 1 3 371.529 2.808 20 0 FFADHO c1ccc(N2CCN(CCCN3CCC[C@@H]3C[NH+]3CCCC3)CC2)cc1 ZINC000286025828 257016754 /nfs/dbraw/zinc/01/67/54/257016754.db2.gz PNPIHGMHRJPDCM-JOCHJYFZSA-N 1 3 356.558 2.759 20 0 FFADHO c1ccc(N2CCN(CCC[N@@H+]3CCC[C@@H]3CN3CCCC3)CC2)cc1 ZINC000286025828 257016755 /nfs/dbraw/zinc/01/67/55/257016755.db2.gz PNPIHGMHRJPDCM-JOCHJYFZSA-N 1 3 356.558 2.759 20 0 FFADHO c1ccc(N2CCN(CCC[N@H+]3CCC[C@@H]3CN3CCCC3)CC2)cc1 ZINC000286025828 257016756 /nfs/dbraw/zinc/01/67/56/257016756.db2.gz PNPIHGMHRJPDCM-JOCHJYFZSA-N 1 3 356.558 2.759 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000287768746 257110597 /nfs/dbraw/zinc/11/05/97/257110597.db2.gz RLAWWRXJCREAGW-WMZOPIPTSA-N 1 3 372.431 2.843 20 0 FFADHO C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000287520979 257093772 /nfs/dbraw/zinc/09/37/72/257093772.db2.gz IELYUVZYNDPECD-JXFKEZNVSA-N 1 3 358.530 2.851 20 0 FFADHO CN1CCN(CC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000289498168 257284461 /nfs/dbraw/zinc/28/44/61/257284461.db2.gz SPVXDQHZEAXNCO-UHFFFAOYSA-N 1 3 357.542 2.514 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333118337 258251121 /nfs/dbraw/zinc/25/11/21/258251121.db2.gz ADORNJXHZCRBSF-DLBZAZTESA-N 1 3 368.591 2.507 20 0 FFADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375236851 512225581 /nfs/dbraw/zinc/22/55/81/512225581.db2.gz JXBLQHMLXJXCTC-UHFFFAOYSA-N 1 3 372.557 2.673 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000410309900 512236889 /nfs/dbraw/zinc/23/68/89/512236889.db2.gz DYJNUQQUAQIDLG-RTWAWAEBSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000410309900 512236891 /nfs/dbraw/zinc/23/68/91/512236891.db2.gz DYJNUQQUAQIDLG-RTWAWAEBSA-N 1 3 370.541 2.620 20 0 FFADHO CN(CCNC(=O)NCC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000053751192 506439576 /nfs/dbraw/zinc/43/95/76/506439576.db2.gz OQRUTZGGQZZXQW-UHFFFAOYSA-N 1 3 354.498 2.550 20 0 FFADHO CN(CCNC(=O)NCC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000053751192 506439581 /nfs/dbraw/zinc/43/95/81/506439581.db2.gz OQRUTZGGQZZXQW-UHFFFAOYSA-N 1 3 354.498 2.550 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000066196414 506446463 /nfs/dbraw/zinc/44/64/63/506446463.db2.gz XHABFUBTVZKERO-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000066196414 506446469 /nfs/dbraw/zinc/44/64/69/506446469.db2.gz XHABFUBTVZKERO-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067684410 506974375 /nfs/dbraw/zinc/97/43/75/506974375.db2.gz MWNGLSQSGZBNDO-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067684410 506974384 /nfs/dbraw/zinc/97/43/84/506974384.db2.gz MWNGLSQSGZBNDO-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000067685215 506975185 /nfs/dbraw/zinc/97/51/85/506975185.db2.gz GFTGLAXUJLWTRE-HXUWFJFHSA-N 1 3 372.557 2.943 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000067685215 506975189 /nfs/dbraw/zinc/97/51/89/506975189.db2.gz GFTGLAXUJLWTRE-HXUWFJFHSA-N 1 3 372.557 2.943 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000045978364 507057672 /nfs/dbraw/zinc/05/76/72/507057672.db2.gz NOSWLDJSZQNGNS-SFHVURJKSA-N 1 3 358.530 2.956 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000371325886 512330346 /nfs/dbraw/zinc/33/03/46/512330346.db2.gz GXHAODPKERAOKV-LEWJYISDSA-N 1 3 359.558 2.676 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000371325886 512330349 /nfs/dbraw/zinc/33/03/49/512330349.db2.gz GXHAODPKERAOKV-LEWJYISDSA-N 1 3 359.558 2.676 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000061960046 507647691 /nfs/dbraw/zinc/64/76/91/507647691.db2.gz QESCBIWJXLCSNX-HDICACEKSA-N 1 3 360.546 2.915 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000061960046 507647697 /nfs/dbraw/zinc/64/76/97/507647697.db2.gz QESCBIWJXLCSNX-HDICACEKSA-N 1 3 360.546 2.915 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000050799978 507713614 /nfs/dbraw/zinc/71/36/14/507713614.db2.gz VQRIFXOVKFYLPX-PMACEKPBSA-N 1 3 359.489 2.604 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccccc3Cl)CC2)CC1 ZINC000051758408 507783382 /nfs/dbraw/zinc/78/33/82/507783382.db2.gz CMHOAQXZDFCLRY-UHFFFAOYSA-N 1 3 364.921 2.698 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761647 507783810 /nfs/dbraw/zinc/78/38/10/507783810.db2.gz YKFPFTUHUSJKEE-SFHVURJKSA-N 1 3 372.557 2.784 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000052523465 507812058 /nfs/dbraw/zinc/81/20/58/507812058.db2.gz YXNFWJOVPZNGLA-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000107329589 507843898 /nfs/dbraw/zinc/84/38/98/507843898.db2.gz TUMBBIHZHXTZFU-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000373502337 512365039 /nfs/dbraw/zinc/36/50/39/512365039.db2.gz XMBGFAAIHCEEDB-HXUWFJFHSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000373502337 512365043 /nfs/dbraw/zinc/36/50/43/512365043.db2.gz XMBGFAAIHCEEDB-HXUWFJFHSA-N 1 3 371.529 2.531 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2cnccc21 ZINC000073061994 507890366 /nfs/dbraw/zinc/89/03/66/507890366.db2.gz ZUHILSAIPKSMBM-GOSISDBHSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2cnccc21 ZINC000073061994 507890370 /nfs/dbraw/zinc/89/03/70/507890370.db2.gz ZUHILSAIPKSMBM-GOSISDBHSA-N 1 3 354.498 2.723 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108537441 507901793 /nfs/dbraw/zinc/90/17/93/507901793.db2.gz CLNMTMRKWAGYQX-UXHICEINSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108537441 507901797 /nfs/dbraw/zinc/90/17/97/507901797.db2.gz CLNMTMRKWAGYQX-UXHICEINSA-N 1 3 356.514 2.607 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)N(C)C)cc1 ZINC000108541376 507902654 /nfs/dbraw/zinc/90/26/54/507902654.db2.gz WCSHYUKCYYILQU-VQTJNVASSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)N(C)C)cc1 ZINC000108541376 507902656 /nfs/dbraw/zinc/90/26/56/507902656.db2.gz WCSHYUKCYYILQU-VQTJNVASSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000073494156 507925173 /nfs/dbraw/zinc/92/51/73/507925173.db2.gz VGGMELUDKYVNDS-AABGKKOBSA-N 1 3 358.530 2.730 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000073494156 507925174 /nfs/dbraw/zinc/92/51/74/507925174.db2.gz VGGMELUDKYVNDS-AABGKKOBSA-N 1 3 358.530 2.730 20 0 FFADHO OC[C@@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521745 507925169 /nfs/dbraw/zinc/92/51/69/507925169.db2.gz JDZSOISEWHVZQI-BRWVUGGUSA-N 1 3 372.431 2.953 20 0 FFADHO OC[C@@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521745 507925171 /nfs/dbraw/zinc/92/51/71/507925171.db2.gz JDZSOISEWHVZQI-BRWVUGGUSA-N 1 3 372.431 2.953 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000073494707 507925650 /nfs/dbraw/zinc/92/56/50/507925650.db2.gz ORESNUZBUFFNEV-AABGKKOBSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000073494707 507925651 /nfs/dbraw/zinc/92/56/51/507925651.db2.gz ORESNUZBUFFNEV-AABGKKOBSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524553 507926267 /nfs/dbraw/zinc/92/62/67/507926267.db2.gz UHRWZZSBLRHWSF-SNRMKQJTSA-N 1 3 360.498 2.876 20 0 FFADHO CCN(CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000109025980 507932686 /nfs/dbraw/zinc/93/26/86/507932686.db2.gz OOUIMOSGBVHBAU-QGZVFWFLSA-N 1 3 361.530 2.549 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc2)CC1 ZINC000073621232 507939010 /nfs/dbraw/zinc/93/90/10/507939010.db2.gz AJEARCFTXIFUNJ-HXUWFJFHSA-N 1 3 360.546 2.535 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2CCN(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080063484 508032800 /nfs/dbraw/zinc/03/28/00/508032800.db2.gz CPEJLGJMRLPXCY-FXAWDEMLSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2CCN(C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080063484 508032806 /nfs/dbraw/zinc/03/28/06/508032806.db2.gz CPEJLGJMRLPXCY-FXAWDEMLSA-N 1 3 370.541 2.966 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000074538007 508033332 /nfs/dbraw/zinc/03/33/32/508033332.db2.gz WMKCUCJQWGXIAG-SJLPKXTDSA-N 1 3 364.559 2.868 20 0 FFADHO C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000110965425 508060913 /nfs/dbraw/zinc/06/09/13/508060913.db2.gz RRLIWGYXXQLLAV-GOSISDBHSA-N 1 3 369.509 2.877 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080664821 508093354 /nfs/dbraw/zinc/09/33/54/508093354.db2.gz DWDMVTAYBQCBIZ-PWRODBHTSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080664821 508093355 /nfs/dbraw/zinc/09/33/55/508093355.db2.gz DWDMVTAYBQCBIZ-PWRODBHTSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](CNC(=O)NCC1(N2CCSCC2)CCCCC1)[N@H+](C)C1CC1 ZINC000112215749 508161489 /nfs/dbraw/zinc/16/14/89/508161489.db2.gz BKFITYKKRKVPNN-MRXNPFEDSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@H](CNC(=O)NCC1(N2CCSCC2)CCCCC1)[N@@H+](C)C1CC1 ZINC000112215749 508161492 /nfs/dbraw/zinc/16/14/92/508161492.db2.gz BKFITYKKRKVPNN-MRXNPFEDSA-N 1 3 368.591 2.520 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000102012426 508265024 /nfs/dbraw/zinc/26/50/24/508265024.db2.gz XAXMQTXXTWONLT-INIZCTEOSA-N 1 3 352.548 2.600 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000102012426 508265027 /nfs/dbraw/zinc/26/50/27/508265027.db2.gz XAXMQTXXTWONLT-INIZCTEOSA-N 1 3 352.548 2.600 20 0 FFADHO C[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000113451120 508268824 /nfs/dbraw/zinc/26/88/24/508268824.db2.gz RBVIVWKDECXHEG-WIYYLYMNSA-N 1 3 357.542 2.740 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000077201959 508286021 /nfs/dbraw/zinc/28/60/21/508286021.db2.gz UUUIAEOIHWPDFT-INIZCTEOSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000077201959 508286022 /nfs/dbraw/zinc/28/60/22/508286022.db2.gz UUUIAEOIHWPDFT-INIZCTEOSA-N 1 3 366.481 2.714 20 0 FFADHO Cc1c2cc(Cl)ccc2oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211735 508302211 /nfs/dbraw/zinc/30/22/11/508302211.db2.gz QZKCENHKLWBKMA-UHFFFAOYSA-N 1 3 351.878 2.960 20 0 FFADHO Cc1ccc(-c2nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cs2)c(C)c1 ZINC000103212653 508302901 /nfs/dbraw/zinc/30/29/01/508302901.db2.gz WBFJJQPVNJASCP-UHFFFAOYSA-N 1 3 374.554 2.992 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114781265 508346517 /nfs/dbraw/zinc/34/65/17/508346517.db2.gz QTCXNAUBTHGXTJ-FQEVSTJZSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc(F)ccc1F ZINC000077873506 508386767 /nfs/dbraw/zinc/38/67/67/508386767.db2.gz GJCXZMBJZCSFQF-QGZVFWFLSA-N 1 3 356.461 2.551 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115807937 508440102 /nfs/dbraw/zinc/44/01/02/508440102.db2.gz NEMYLUVRPULQKP-FGTMMUONSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115807937 508440104 /nfs/dbraw/zinc/44/01/04/508440104.db2.gz NEMYLUVRPULQKP-FGTMMUONSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000127714889 508489788 /nfs/dbraw/zinc/48/97/88/508489788.db2.gz PZJFPZQAFHDETE-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000127714889 508489792 /nfs/dbraw/zinc/48/97/92/508489792.db2.gz PZJFPZQAFHDETE-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccco2)N(C)C)cc1 ZINC000122580264 508556846 /nfs/dbraw/zinc/55/68/46/508556846.db2.gz RXBOHHNUWIEFKJ-HXUWFJFHSA-N 1 3 372.513 2.964 20 0 FFADHO C[C@@]1(CNC(=O)NC2CCN(C3CC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000153639113 508614658 /nfs/dbraw/zinc/61/46/58/508614658.db2.gz JBLLDLQHGFRPHN-QFIPXVFZSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@]1(CNC(=O)NC2CCN(C3CC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000153639113 508614662 /nfs/dbraw/zinc/61/46/62/508614662.db2.gz JBLLDLQHGFRPHN-QFIPXVFZSA-N 1 3 370.541 2.967 20 0 FFADHO COc1cccc(CNC(=O)[C@H](C)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123202808 508652092 /nfs/dbraw/zinc/65/20/92/508652092.db2.gz ASYVEDPHFJFVIX-KRWDZBQOSA-N 1 3 361.530 2.754 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843057 508682864 /nfs/dbraw/zinc/68/28/64/508682864.db2.gz HAFJRIVTTJDKSO-AWEZNQCLSA-N 1 3 353.894 2.951 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843057 508682866 /nfs/dbraw/zinc/68/28/66/508682866.db2.gz HAFJRIVTTJDKSO-AWEZNQCLSA-N 1 3 353.894 2.951 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000129200565 508697048 /nfs/dbraw/zinc/69/70/48/508697048.db2.gz ZYSASEFYLKASOK-GGPKGHCWSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000129200565 508697051 /nfs/dbraw/zinc/69/70/51/508697051.db2.gz ZYSASEFYLKASOK-GGPKGHCWSA-N 1 3 360.546 2.879 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000119086775 508722588 /nfs/dbraw/zinc/72/25/88/508722588.db2.gz BHIFMENAYOZZKY-OAQYLSRUSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000154515281 508799385 /nfs/dbraw/zinc/79/93/85/508799385.db2.gz RWGWYCFBADSLNP-LJQANCHMSA-N 1 3 355.530 2.941 20 0 FFADHO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000119895090 508885402 /nfs/dbraw/zinc/88/54/02/508885402.db2.gz LTHOWWSGLBRYRS-QRVBRYPASA-N 1 3 363.546 2.777 20 0 FFADHO C[NH+](C)CCCC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000131282294 508909577 /nfs/dbraw/zinc/90/95/77/508909577.db2.gz XSPRPCBOQCFBND-UHFFFAOYSA-N 1 3 352.548 2.534 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)N1CCOCC1 ZINC000120069614 508921403 /nfs/dbraw/zinc/92/14/03/508921403.db2.gz XGNCESFVKFKTRF-RXVVDRJESA-N 1 3 363.546 2.634 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150976421 508933984 /nfs/dbraw/zinc/93/39/84/508933984.db2.gz IRCGBKLBQHNHTG-KRWDZBQOSA-N 1 3 355.530 2.857 20 0 FFADHO CCCc1cc(NCCCCN2CCN(CCO)CC2)c2ccccc2[nH+]1 ZINC000125148802 508938203 /nfs/dbraw/zinc/93/82/03/508938203.db2.gz BDKYLZZQAQIJBU-UHFFFAOYSA-N 1 3 370.541 2.989 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000131826255 508973178 /nfs/dbraw/zinc/97/31/78/508973178.db2.gz KTQJLWXMBHFQFL-UHFFFAOYSA-N 1 3 364.387 2.802 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000155313057 508974578 /nfs/dbraw/zinc/97/45/78/508974578.db2.gz IAMPCMJNGZVUSD-HKUYNNGSSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000155313057 508974582 /nfs/dbraw/zinc/97/45/82/508974582.db2.gz IAMPCMJNGZVUSD-HKUYNNGSSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccccc2)N(C)C)o1 ZINC000125733619 509023269 /nfs/dbraw/zinc/02/32/69/509023269.db2.gz QFGCVBTWMWVRBJ-HXUWFJFHSA-N 1 3 372.513 2.964 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000155705706 509056416 /nfs/dbraw/zinc/05/64/16/509056416.db2.gz VJCZZQLWUKXBFA-RTBURBONSA-N 1 3 355.530 2.608 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000133023705 509105075 /nfs/dbraw/zinc/10/50/75/509105075.db2.gz QGNWELJLOPISKA-YWTKSJFSSA-N 1 3 350.528 2.576 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000121063855 509120417 /nfs/dbraw/zinc/12/04/17/509120417.db2.gz LOMCTPJMYUQIIF-OALUTQOASA-N 1 3 365.562 2.645 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000121181231 509146041 /nfs/dbraw/zinc/14/60/41/509146041.db2.gz JOQPVCYXXKRRGF-OAQYLSRUSA-N 1 3 372.601 2.557 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195613988 509212441 /nfs/dbraw/zinc/21/24/41/509212441.db2.gz BMSLKRHKMWLZOR-KSZLIROESA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195613988 509212448 /nfs/dbraw/zinc/21/24/48/509212448.db2.gz BMSLKRHKMWLZOR-KSZLIROESA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401083 509218426 /nfs/dbraw/zinc/21/84/26/509218426.db2.gz KLNYJMXTQGUIIX-MSOLQXFVSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401083 509218434 /nfs/dbraw/zinc/21/84/34/509218434.db2.gz KLNYJMXTQGUIIX-MSOLQXFVSA-N 1 3 350.551 2.671 20 0 FFADHO CN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)[C@H]1c1ccccc1 ZINC000248132251 509242927 /nfs/dbraw/zinc/24/29/27/509242927.db2.gz WTCIZLYBVOYVLR-VQTJNVASSA-N 1 3 370.497 2.798 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000248427288 509314277 /nfs/dbraw/zinc/31/42/77/509314277.db2.gz ADQIINGKXHDEKG-OXQOHEQNSA-N 1 3 368.477 2.875 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000248427288 509314287 /nfs/dbraw/zinc/31/42/87/509314287.db2.gz ADQIINGKXHDEKG-OXQOHEQNSA-N 1 3 368.477 2.875 20 0 FFADHO C[N@@H+]1CCCN(CCCN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000248510522 509346830 /nfs/dbraw/zinc/34/68/30/509346830.db2.gz ZZCPEHLTPIRZCJ-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO C[N@H+]1CCCN(CCCN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000248510522 509346832 /nfs/dbraw/zinc/34/68/32/509346832.db2.gz ZZCPEHLTPIRZCJ-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000248533737 509352137 /nfs/dbraw/zinc/35/21/37/509352137.db2.gz IRNXELVWTVHFTC-UYAOXDASSA-N 1 3 358.530 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000248533737 509352140 /nfs/dbraw/zinc/35/21/40/509352140.db2.gz IRNXELVWTVHFTC-UYAOXDASSA-N 1 3 358.530 2.538 20 0 FFADHO N[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000189000938 509362890 /nfs/dbraw/zinc/36/28/90/509362890.db2.gz CLJXLUSTYPQSAT-ATZDWAIDSA-N 1 3 359.420 2.617 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CN1C1CC1 ZINC000163935214 509441698 /nfs/dbraw/zinc/44/16/98/509441698.db2.gz HLCFBTCXMMITDU-UNMCSNQZSA-N 1 3 370.585 2.799 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248752248 509470052 /nfs/dbraw/zinc/47/00/52/509470052.db2.gz GSPRQRXGXVELRQ-JTJHWIPRSA-N 1 3 373.541 2.655 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000248752248 509470054 /nfs/dbraw/zinc/47/00/54/509470054.db2.gz GSPRQRXGXVELRQ-JTJHWIPRSA-N 1 3 373.541 2.655 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000173255371 509482159 /nfs/dbraw/zinc/48/21/59/509482159.db2.gz IXRGLKUZMUHXMT-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000173255371 509482169 /nfs/dbraw/zinc/48/21/69/509482169.db2.gz IXRGLKUZMUHXMT-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248807814 509491316 /nfs/dbraw/zinc/49/13/16/509491316.db2.gz KGRUXTPSBMXAGR-HLAWJBBLSA-N 1 3 370.541 2.634 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248828137 509500909 /nfs/dbraw/zinc/50/09/09/509500909.db2.gz MDQBOCMSIMMROX-GIVPXCGWSA-N 1 3 372.557 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248828137 509500916 /nfs/dbraw/zinc/50/09/16/509500916.db2.gz MDQBOCMSIMMROX-GIVPXCGWSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000267469368 509501993 /nfs/dbraw/zinc/50/19/93/509501993.db2.gz XGMQJPNAKMJVNP-GIVPXCGWSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000267469368 509501996 /nfs/dbraw/zinc/50/19/96/509501996.db2.gz XGMQJPNAKMJVNP-GIVPXCGWSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)C[NH+]1CCCC1 ZINC000176427494 509503676 /nfs/dbraw/zinc/50/36/76/509503676.db2.gz JHJWRFORVAVMHJ-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CCN(CCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000176457504 509522084 /nfs/dbraw/zinc/52/20/84/509522084.db2.gz IGDSPFXJNUDRJI-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(CCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000176457504 509522090 /nfs/dbraw/zinc/52/20/90/509522090.db2.gz IGDSPFXJNUDRJI-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236923151 509534362 /nfs/dbraw/zinc/53/43/62/509534362.db2.gz OFUPYEXSQBMQNO-BEFAXECRSA-N 1 3 355.486 2.815 20 0 FFADHO Cn1c2ccc(CNCc3ccc(OCC[NH+](C)C)cc3)cc2sc1=O ZINC000192481977 509537957 /nfs/dbraw/zinc/53/79/57/509537957.db2.gz DTYFRUZVNOEIMK-UHFFFAOYSA-N 1 3 371.506 2.830 20 0 FFADHO C[NH2+]C1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000237126033 509577921 /nfs/dbraw/zinc/57/79/21/509577921.db2.gz UUGKILNJBJJEQW-GOSISDBHSA-N 1 3 369.431 2.651 20 0 FFADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173422497 509587797 /nfs/dbraw/zinc/58/77/97/509587797.db2.gz YAKQQOUCOFLMSG-YJBOKZPZSA-N 1 3 369.575 2.954 20 0 FFADHO CN(C)[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)Cc1ccccc1 ZINC000237188576 509590760 /nfs/dbraw/zinc/59/07/60/509590760.db2.gz PXTXQLWUZKEXME-NRFANRHFSA-N 1 3 365.521 2.597 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176595283 509602586 /nfs/dbraw/zinc/60/25/86/509602586.db2.gz LAWDGRGQFYGCHL-RBUKOAKNSA-N 1 3 364.509 2.772 20 0 FFADHO CC[NH+]1CCC(CCN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173447559 509604652 /nfs/dbraw/zinc/60/46/52/509604652.db2.gz AOBBTXLRUKTMGR-MRXNPFEDSA-N 1 3 367.559 2.710 20 0 FFADHO O=C(NC1CC1)[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000179755697 509607266 /nfs/dbraw/zinc/60/72/66/509607266.db2.gz UBMLBAYHCVZANF-OAQYLSRUSA-N 1 3 364.493 2.908 20 0 FFADHO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000183136925 509619589 /nfs/dbraw/zinc/61/95/89/509619589.db2.gz RGAMPXFILOTVLH-JSXRDJHFSA-N 1 3 365.525 2.792 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000237385660 509637251 /nfs/dbraw/zinc/63/72/51/509637251.db2.gz BNGNDNMVWCQUCV-PXNSSMCTSA-N 1 3 373.541 2.855 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000192848693 509671696 /nfs/dbraw/zinc/67/16/96/509671696.db2.gz LKXUHYXUUAAPQS-PMACEKPBSA-N 1 3 367.484 2.801 20 0 FFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237609190 509688000 /nfs/dbraw/zinc/68/80/00/509688000.db2.gz GVEGMOICBXNMIM-INIZCTEOSA-N 1 3 365.568 2.577 20 0 FFADHO Cc1cc(NC(=O)C[C@@H]2CSCCN2)ccc1OCC[NH+]1CCCC1 ZINC000237712435 509717410 /nfs/dbraw/zinc/71/74/10/509717410.db2.gz BQVPVLRIKUJELQ-QGZVFWFLSA-N 1 3 363.527 2.503 20 0 FFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000180138163 509773290 /nfs/dbraw/zinc/77/32/90/509773290.db2.gz NDHSRVHEPSUIQO-ANYOBKOBSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000180138163 509773298 /nfs/dbraw/zinc/77/32/98/509773298.db2.gz NDHSRVHEPSUIQO-ANYOBKOBSA-N 1 3 357.542 2.881 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(F)cc(Cl)c3)CC2)CC1 ZINC000268207650 509814555 /nfs/dbraw/zinc/81/45/55/509814555.db2.gz UVONYFAMTWETHJ-UHFFFAOYSA-N 1 3 353.869 2.768 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000190000489 509875611 /nfs/dbraw/zinc/87/56/11/509875611.db2.gz MTKHJGDWKADPMA-QGZVFWFLSA-N 1 3 361.534 2.590 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+](CC)CC)C1(C)C ZINC000186733668 509880131 /nfs/dbraw/zinc/88/01/31/509880131.db2.gz YDEDOYPIFAYEBK-WIYYLYMNSA-N 1 3 361.530 2.677 20 0 FFADHO CC(C)[C@@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000171038186 509902357 /nfs/dbraw/zinc/90/23/57/509902357.db2.gz DKOAIZBFXUANBC-RTBURBONSA-N 1 3 350.551 2.623 20 0 FFADHO COc1cc([C@H](C)[NH2+]C2CCN(C(C)C)CC2)ccc1S(C)(=O)=O ZINC000180406726 509909174 /nfs/dbraw/zinc/90/91/74/509909174.db2.gz VKCOEMNZYCQNOU-AWEZNQCLSA-N 1 3 354.516 2.622 20 0 FFADHO CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186855631 509913907 /nfs/dbraw/zinc/91/39/07/509913907.db2.gz GECVTMDDRVBBRP-SLFFLAALSA-N 1 3 364.555 2.702 20 0 FFADHO C[C@H](NC(=O)[C@H](CN)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261577560 509993075 /nfs/dbraw/zinc/99/30/75/509993075.db2.gz CVQLDGYHMTWSKV-IOMROCGXSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@H](NC(=O)[C@H](CN)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261577560 509993086 /nfs/dbraw/zinc/99/30/86/509993086.db2.gz CVQLDGYHMTWSKV-IOMROCGXSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@H]([NH3+])CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261666898 510020075 /nfs/dbraw/zinc/02/00/75/510020075.db2.gz AHLORHQYGYYZTK-DXCKQFNASA-N 1 3 357.420 2.942 20 0 FFADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183952809 510053867 /nfs/dbraw/zinc/05/38/67/510053867.db2.gz QGIJRECKCVWUQB-INIZCTEOSA-N 1 3 367.559 2.710 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000177433833 510055174 /nfs/dbraw/zinc/05/51/74/510055174.db2.gz NOYCDEPPTPNBPG-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000177433833 510055181 /nfs/dbraw/zinc/05/51/81/510055181.db2.gz NOYCDEPPTPNBPG-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000177433864 510055511 /nfs/dbraw/zinc/05/55/11/510055511.db2.gz NOYCDEPPTPNBPG-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000177433864 510055512 /nfs/dbraw/zinc/05/55/12/510055512.db2.gz NOYCDEPPTPNBPG-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245647885 510060980 /nfs/dbraw/zinc/06/09/80/510060980.db2.gz MAOXBNHPAGQKOP-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245650927 510062327 /nfs/dbraw/zinc/06/23/27/510062327.db2.gz MVVINBICJVEUNO-RLLQIKCJSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245650927 510062337 /nfs/dbraw/zinc/06/23/37/510062337.db2.gz MVVINBICJVEUNO-RLLQIKCJSA-N 1 3 358.530 2.709 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(OCCN(C)C)cc1 ZINC000268908033 510129950 /nfs/dbraw/zinc/12/99/50/510129950.db2.gz MKNJZRGYLMNOTO-YTQUADARSA-N 1 3 361.530 2.925 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cccc(-c2cccnc2)c1 ZINC000261969960 510131694 /nfs/dbraw/zinc/13/16/94/510131694.db2.gz ICMOTVWEWDOXSN-HXUWFJFHSA-N 1 3 352.482 2.568 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000174485970 510136408 /nfs/dbraw/zinc/13/64/08/510136408.db2.gz BZIMOODCPJWXGK-SEJPIABJSA-N 1 3 370.541 2.966 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000174485970 510136415 /nfs/dbraw/zinc/13/64/15/510136415.db2.gz BZIMOODCPJWXGK-SEJPIABJSA-N 1 3 370.541 2.966 20 0 FFADHO Cc1ccc2cc(CN3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)ccc2n1 ZINC000261985093 510138476 /nfs/dbraw/zinc/13/84/76/510138476.db2.gz RVCSKYUFGPVKFW-NQIIRXRSSA-N 1 3 366.509 2.623 20 0 FFADHO COc1ccc(Oc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262074415 510168227 /nfs/dbraw/zinc/16/82/27/510168227.db2.gz DAKMFIAUCIGFRI-IBGZPJMESA-N 1 3 367.493 2.967 20 0 FFADHO COc1ccc(-c2ccncc2)cc1CNCCN1CCC([NH+](C)C)CC1 ZINC000187280983 510168814 /nfs/dbraw/zinc/16/88/14/510168814.db2.gz KXXFIOCZDBKUEF-UHFFFAOYSA-N 1 3 368.525 2.873 20 0 FFADHO CCN(C(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000180961229 510209698 /nfs/dbraw/zinc/20/96/98/510209698.db2.gz XWRXOMSKIVAJDO-GOSISDBHSA-N 1 3 366.594 2.514 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccc(C(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262220723 510214040 /nfs/dbraw/zinc/21/40/40/510214040.db2.gz MPLKEIXYDUKCKN-NVXWUHKLSA-N 1 3 351.441 2.704 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000269080684 510225701 /nfs/dbraw/zinc/22/57/01/510225701.db2.gz ZNKMQVVRRXYXBT-OAHLLOKOSA-N 1 3 357.267 2.622 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000180995736 510229341 /nfs/dbraw/zinc/22/93/41/510229341.db2.gz ISFUJNKAEXYLCW-FQEVSTJZSA-N 1 3 367.493 2.982 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246019555 510252518 /nfs/dbraw/zinc/25/25/18/510252518.db2.gz UUNHKXORSIEIES-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000246019555 510252523 /nfs/dbraw/zinc/25/25/23/510252523.db2.gz UUNHKXORSIEIES-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000246047697 510261611 /nfs/dbraw/zinc/26/16/11/510261611.db2.gz UPHWTJUNHSGXEE-RTBURBONSA-N 1 3 350.551 2.672 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000246047697 510261620 /nfs/dbraw/zinc/26/16/20/510261620.db2.gz UPHWTJUNHSGXEE-RTBURBONSA-N 1 3 350.551 2.672 20 0 FFADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262589590 510327009 /nfs/dbraw/zinc/32/70/09/510327009.db2.gz QJENLBCBJLTECA-YJBOKZPZSA-N 1 3 369.431 2.557 20 0 FFADHO CN(C(=O)CC1(C[NH3+])CCCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000262694337 510372195 /nfs/dbraw/zinc/37/21/95/510372195.db2.gz WYPJQTUAUUQSJE-UHFFFAOYSA-N 1 3 372.557 2.846 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000194469699 510382681 /nfs/dbraw/zinc/38/26/81/510382681.db2.gz UZNBQSYDUQFPCM-FQEVSTJZSA-N 1 3 358.530 2.771 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000174912776 510382982 /nfs/dbraw/zinc/38/29/82/510382982.db2.gz GHQNVFCOGPNOPI-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1(C)C ZINC000262802224 510418903 /nfs/dbraw/zinc/41/89/03/510418903.db2.gz RKHMUXPIAXYWQU-LRXVAGHRSA-N 1 3 373.541 2.642 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1(C)C ZINC000262802224 510418905 /nfs/dbraw/zinc/41/89/05/510418905.db2.gz RKHMUXPIAXYWQU-LRXVAGHRSA-N 1 3 373.541 2.642 20 0 FFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262812369 510423185 /nfs/dbraw/zinc/42/31/85/510423185.db2.gz VKPBCJREDOAEAK-IBGZPJMESA-N 1 3 367.468 2.957 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](C)c2nccnc2C)CC1 ZINC000187783268 510435422 /nfs/dbraw/zinc/43/54/22/510435422.db2.gz JUEYIORQBOZBPN-SFHVURJKSA-N 1 3 353.514 2.773 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCC[C@@H](C)C1 ZINC000246357582 510443399 /nfs/dbraw/zinc/44/33/99/510443399.db2.gz DSHPVZYNOTXXSD-GUDVDZBRSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000171909217 510446357 /nfs/dbraw/zinc/44/63/57/510446357.db2.gz RJIRYECVEHINMM-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000246366371 510450084 /nfs/dbraw/zinc/45/00/84/510450084.db2.gz QBFUVNVYZUTNHN-YLJYHZDGSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000246366371 510450092 /nfs/dbraw/zinc/45/00/92/510450092.db2.gz QBFUVNVYZUTNHN-YLJYHZDGSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000246373559 510454648 /nfs/dbraw/zinc/45/46/48/510454648.db2.gz AIJVQFBAXDMEFI-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000181541513 510462705 /nfs/dbraw/zinc/46/27/05/510462705.db2.gz KQMZYGNIUKFTAO-HBMCJLEFSA-N 1 3 357.542 2.727 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246409980 510473859 /nfs/dbraw/zinc/47/38/59/510473859.db2.gz URSMBHQSPLVGKY-NQIIRXRSSA-N 1 3 372.557 2.941 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246409980 510473865 /nfs/dbraw/zinc/47/38/65/510473865.db2.gz URSMBHQSPLVGKY-NQIIRXRSSA-N 1 3 372.557 2.941 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000184726313 510485702 /nfs/dbraw/zinc/48/57/02/510485702.db2.gz FLSMUMPSSYRGIL-FQEVSTJZSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000184726313 510485706 /nfs/dbraw/zinc/48/57/06/510485706.db2.gz FLSMUMPSSYRGIL-FQEVSTJZSA-N 1 3 374.529 2.568 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000194739837 510505655 /nfs/dbraw/zinc/50/56/55/510505655.db2.gz SGNTWQHAJSGDFK-IBGZPJMESA-N 1 3 372.557 2.821 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000188116661 510602542 /nfs/dbraw/zinc/60/25/42/510602542.db2.gz AGORQXFBQNPHPP-HNNXBMFYSA-N 1 3 368.363 2.996 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000263270727 510639764 /nfs/dbraw/zinc/63/97/64/510639764.db2.gz WUNQJGBYOVVEEC-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000263270727 510639768 /nfs/dbraw/zinc/63/97/68/510639768.db2.gz WUNQJGBYOVVEEC-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000263270727 510639777 /nfs/dbraw/zinc/63/97/77/510639777.db2.gz WUNQJGBYOVVEEC-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000270086756 510669143 /nfs/dbraw/zinc/66/91/43/510669143.db2.gz ACOZEMDKJGLSJW-UXHICEINSA-N 1 3 358.530 2.663 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1(C)C ZINC000188267834 510679600 /nfs/dbraw/zinc/67/96/00/510679600.db2.gz KYAUAPBBFRTFCA-PLMTUMEDSA-N 1 3 361.530 2.546 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1(C)C ZINC000188267834 510679607 /nfs/dbraw/zinc/67/96/07/510679607.db2.gz KYAUAPBBFRTFCA-PLMTUMEDSA-N 1 3 361.530 2.546 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000246850422 510708320 /nfs/dbraw/zinc/70/83/20/510708320.db2.gz BQQNSJRRAOGNRS-DLBZAZTESA-N 1 3 364.559 2.601 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000246850422 510708321 /nfs/dbraw/zinc/70/83/21/510708321.db2.gz BQQNSJRRAOGNRS-DLBZAZTESA-N 1 3 364.559 2.601 20 0 FFADHO CNC(=O)c1cccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000178687691 510721672 /nfs/dbraw/zinc/72/16/72/510721672.db2.gz IDMGNGXNLMJGQN-MRXNPFEDSA-N 1 3 355.482 2.837 20 0 FFADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1(C)C ZINC000185242950 510767269 /nfs/dbraw/zinc/76/72/69/510767269.db2.gz QJXVMNMZHNQKAT-RBUKOAKNSA-N 1 3 361.530 2.660 20 0 FFADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1(C)C ZINC000185243002 510768250 /nfs/dbraw/zinc/76/82/50/510768250.db2.gz QJXVMNMZHNQKAT-MOPGFXCFSA-N 1 3 361.530 2.660 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000246982787 510781115 /nfs/dbraw/zinc/78/11/15/510781115.db2.gz PXQBQYAGVMJJIC-XDNAFOTISA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000246982787 510781119 /nfs/dbraw/zinc/78/11/19/510781119.db2.gz PXQBQYAGVMJJIC-XDNAFOTISA-N 1 3 350.551 2.669 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172559201 510790571 /nfs/dbraw/zinc/79/05/71/510790571.db2.gz PKJZGHSUSLHHEZ-FQEVSTJZSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172559201 510790579 /nfs/dbraw/zinc/79/05/79/510790579.db2.gz PKJZGHSUSLHHEZ-FQEVSTJZSA-N 1 3 372.557 2.819 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(Cc4ccccc4)CC3)CC2)CC1 ZINC000185304025 510798622 /nfs/dbraw/zinc/79/86/22/510798622.db2.gz HHEDGFLJLADZTN-UHFFFAOYSA-N 1 3 370.541 2.620 20 0 FFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)c1 ZINC000247103831 510835658 /nfs/dbraw/zinc/83/56/58/510835658.db2.gz QCZTVTIFNCHEAU-RZUBCFFCSA-N 1 3 358.574 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1F ZINC000172654026 510837352 /nfs/dbraw/zinc/83/73/52/510837352.db2.gz DBTKOTMCMGPWAZ-HNNXBMFYSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1F ZINC000172654026 510837355 /nfs/dbraw/zinc/83/73/55/510837355.db2.gz DBTKOTMCMGPWAZ-HNNXBMFYSA-N 1 3 354.445 2.845 20 0 FFADHO CCN1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000293869310 510881376 /nfs/dbraw/zinc/88/13/76/510881376.db2.gz KCJBRKKFXZFSES-LEWJYISDSA-N 1 3 371.525 2.608 20 0 FFADHO COc1ccc2c(c1)C[C@@H](NCc1ccncc1OCCC[NH+](C)C)CO2 ZINC000297444208 510948235 /nfs/dbraw/zinc/94/82/35/510948235.db2.gz WJRGFBUSFUCBLL-GOSISDBHSA-N 1 3 371.481 2.514 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000297551617 510987982 /nfs/dbraw/zinc/98/79/82/510987982.db2.gz PIHZJPOYLRVSBG-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000297551617 510987986 /nfs/dbraw/zinc/98/79/86/510987986.db2.gz PIHZJPOYLRVSBG-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297686488 511034338 /nfs/dbraw/zinc/03/43/38/511034338.db2.gz PMZYWCMSPLARMQ-INIZCTEOSA-N 1 3 360.502 2.897 20 0 FFADHO O=C1C[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)CN1Cc1ccccc1 ZINC000294350144 511035685 /nfs/dbraw/zinc/03/56/85/511035685.db2.gz ZFIYAZZJONJIHH-IBGZPJMESA-N 1 3 364.493 2.689 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)C1 ZINC000297782105 511066478 /nfs/dbraw/zinc/06/64/78/511066478.db2.gz LRVULGOVEXCTKM-JOCHJYFZSA-N 1 3 370.541 2.910 20 0 FFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000271474371 511216885 /nfs/dbraw/zinc/21/68/85/511216885.db2.gz HVUZDKBCMKNMGS-AABGKKOBSA-N 1 3 360.498 2.876 20 0 FFADHO COCCCN1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298251245 511224495 /nfs/dbraw/zinc/22/44/95/511224495.db2.gz DLFNVJQSFRFFJV-GOSISDBHSA-N 1 3 361.530 2.502 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccsc1 ZINC000291629748 511275133 /nfs/dbraw/zinc/27/51/33/511275133.db2.gz LIGNBMFWLXCWFX-MJGOQNOKSA-N 1 3 364.559 2.868 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccsc1 ZINC000291629748 511275137 /nfs/dbraw/zinc/27/51/37/511275137.db2.gz LIGNBMFWLXCWFX-MJGOQNOKSA-N 1 3 364.559 2.868 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333816687 511365306 /nfs/dbraw/zinc/36/53/06/511365306.db2.gz QLCDJHYGUIGJQB-GBESFXJTSA-N 1 3 362.562 2.720 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc2)CC1 ZINC000333823956 511366261 /nfs/dbraw/zinc/36/62/61/511366261.db2.gz RNULYGHJFVQNJC-JSXRDJHFSA-N 1 3 370.541 2.838 20 0 FFADHO [NH3+]C1(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CCCCC1 ZINC000333887160 511382445 /nfs/dbraw/zinc/38/24/45/511382445.db2.gz XKDGGCWDTPNXSO-OAQYLSRUSA-N 1 3 370.541 2.956 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363439163 511551870 /nfs/dbraw/zinc/55/18/70/511551870.db2.gz BMHMJULVZYRGBB-ICSRJNTNSA-N 1 3 359.489 2.734 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363439163 511551875 /nfs/dbraw/zinc/55/18/75/511551875.db2.gz BMHMJULVZYRGBB-ICSRJNTNSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@H]1COCC[C@H]1NCc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1F ZINC000295994890 511581993 /nfs/dbraw/zinc/58/19/93/511581993.db2.gz MFMDTABXYPTSOG-VVVONTASSA-N 1 3 350.478 2.855 20 0 FFADHO C[C@H]1COCC[C@@H]1NCc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1F ZINC000295994888 511582708 /nfs/dbraw/zinc/58/27/08/511582708.db2.gz MFMDTABXYPTSOG-QBTDHISASA-N 1 3 350.478 2.855 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3ccnn3-c3ccc(F)cc3)CC2)CC1 ZINC000280879938 511639754 /nfs/dbraw/zinc/63/97/54/511639754.db2.gz NEPZKQZPTWSLMP-UHFFFAOYSA-N 1 3 371.504 2.660 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000292781328 511717971 /nfs/dbraw/zinc/71/79/71/511717971.db2.gz GYYIOKLWTGLHME-PZJWPPBQSA-N 1 3 356.514 2.561 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000292781328 511717976 /nfs/dbraw/zinc/71/79/76/511717976.db2.gz GYYIOKLWTGLHME-PZJWPPBQSA-N 1 3 356.514 2.561 20 0 FFADHO COc1ccc(OC)c(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000363792778 511771277 /nfs/dbraw/zinc/77/12/77/511771277.db2.gz GNHMTUXBGQSHBD-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CNCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312732980 511786052 /nfs/dbraw/zinc/78/60/52/511786052.db2.gz SUYOQVSTAAQRFN-UCNVEGJOSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CNCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312732980 511786053 /nfs/dbraw/zinc/78/60/53/511786053.db2.gz SUYOQVSTAAQRFN-UCNVEGJOSA-N 1 3 363.505 2.900 20 0 FFADHO Brc1cc2c(cc1CN1CC[C@H]3C[NH2+]C[C@H]3CC1)OCCO2 ZINC000320180839 511812717 /nfs/dbraw/zinc/81/27/17/511812717.db2.gz RRSLOGARWLEDSI-BETUJISGSA-N 1 3 367.287 2.652 20 0 FFADHO O=C1CC[C@H](CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCN1 ZINC000296903424 511943361 /nfs/dbraw/zinc/94/33/61/511943361.db2.gz ZGKQFXWSUMNPHX-PWRODBHTSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CC[C@H](CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCN1 ZINC000296903424 511943364 /nfs/dbraw/zinc/94/33/64/511943364.db2.gz ZGKQFXWSUMNPHX-PWRODBHTSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000297106977 512023117 /nfs/dbraw/zinc/02/31/17/512023117.db2.gz QQILIFSHVUHHHN-AHSZXGJYSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000297106977 512023122 /nfs/dbraw/zinc/02/31/22/512023122.db2.gz QQILIFSHVUHHHN-AHSZXGJYSA-N 1 3 370.541 2.964 20 0 FFADHO COCCC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1 ZINC000282037649 512055214 /nfs/dbraw/zinc/05/52/14/512055214.db2.gz UIRHJGVZJHELOB-HXUWFJFHSA-N 1 3 351.510 2.909 20 0 FFADHO CSc1ccc(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000411184282 512509252 /nfs/dbraw/zinc/50/92/52/512509252.db2.gz FGPAPILQSNMOKS-QGZVFWFLSA-N 1 3 352.544 2.812 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000367474424 512519131 /nfs/dbraw/zinc/51/91/31/512519131.db2.gz HWLMJMCBYNXTLX-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000411471974 512652486 /nfs/dbraw/zinc/65/24/86/512652486.db2.gz HDRVTNXHWMSCOC-NQIIRXRSSA-N 1 3 373.541 2.733 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000371966782 512658050 /nfs/dbraw/zinc/65/80/50/512658050.db2.gz NLGXNXOLJFWRRC-LMCOJAPRSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000371966782 512658056 /nfs/dbraw/zinc/65/80/56/512658056.db2.gz NLGXNXOLJFWRRC-LMCOJAPRSA-N 1 3 356.514 2.575 20 0 FFADHO Cn1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2cc(F)ccc21 ZINC000369878084 512660933 /nfs/dbraw/zinc/66/09/33/512660933.db2.gz NQMKGJGPUWCVQM-UHFFFAOYSA-N 1 3 372.488 2.606 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000369944895 512692863 /nfs/dbraw/zinc/69/28/63/512692863.db2.gz STQYNVJDLFTTFR-AEFFLSMTSA-N 1 3 358.530 2.843 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000411724398 512780257 /nfs/dbraw/zinc/78/02/57/512780257.db2.gz DFEMWSTWCASCFY-TYPHKJRUSA-N 1 3 373.541 2.528 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@@H]2CC[N@@H+]4CCC[C@H]4C2)CC3)cc1 ZINC000378555015 512820711 /nfs/dbraw/zinc/82/07/11/512820711.db2.gz WXZPSQUOMVGREE-KURKYZTESA-N 1 3 355.461 2.615 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@@H]2CC[N@H+]4CCC[C@H]4C2)CC3)cc1 ZINC000378555015 512820717 /nfs/dbraw/zinc/82/07/17/512820717.db2.gz WXZPSQUOMVGREE-KURKYZTESA-N 1 3 355.461 2.615 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000379680249 512870322 /nfs/dbraw/zinc/87/03/22/512870322.db2.gz LMFPNKDCSVZFNB-PXNSSMCTSA-N 1 3 351.494 2.971 20 0 FFADHO O=C(CN1C[C@@H](c2ccccc2)C2(CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000411992593 512905324 /nfs/dbraw/zinc/90/53/24/512905324.db2.gz VMROUSIIUWYFRC-NRFANRHFSA-N 1 3 367.537 2.999 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000390541858 512909381 /nfs/dbraw/zinc/90/93/81/512909381.db2.gz HLWVJRQZOGDJIY-YUMYIRISSA-N 1 3 357.542 2.788 20 0 FFADHO OC1(C[NH2+][C@H]2CCCC23CCOCC3)CCN(Cc2ccccc2)CC1 ZINC000397509503 512946393 /nfs/dbraw/zinc/94/63/93/512946393.db2.gz LVJPCWFCGJQQLI-FQEVSTJZSA-N 1 3 358.526 2.952 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1=CCN(C)CC1 ZINC000374737179 512978169 /nfs/dbraw/zinc/97/81/69/512978169.db2.gz SNTJMKVETBGABO-QYZOEREBSA-N 1 3 362.562 2.933 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1=CCN(C)CC1 ZINC000374737179 512978173 /nfs/dbraw/zinc/97/81/73/512978173.db2.gz SNTJMKVETBGABO-QYZOEREBSA-N 1 3 362.562 2.933 20 0 FFADHO C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000376976946 513075531 /nfs/dbraw/zinc/07/55/31/513075531.db2.gz HDRXUQWOUGTXPU-ACAXCVFMSA-N 1 3 358.530 2.994 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372880219 513087412 /nfs/dbraw/zinc/08/74/12/513087412.db2.gz IJUQKDVFLYISKC-RBUKOAKNSA-N 1 3 358.530 2.823 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000372880219 513087414 /nfs/dbraw/zinc/08/74/14/513087414.db2.gz IJUQKDVFLYISKC-RBUKOAKNSA-N 1 3 358.530 2.823 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000368797882 513107076 /nfs/dbraw/zinc/10/70/76/513107076.db2.gz NOESWEJVKZWIFG-PMACEKPBSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000368797882 513107079 /nfs/dbraw/zinc/10/70/79/513107079.db2.gz NOESWEJVKZWIFG-PMACEKPBSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428651103 513153612 /nfs/dbraw/zinc/15/36/12/513153612.db2.gz XDTOUPFEWIHWFH-XLIONFOSSA-N 1 3 370.541 2.996 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000424471000 513161045 /nfs/dbraw/zinc/16/10/45/513161045.db2.gz CELWVYLELXTBSS-GUDVDZBRSA-N 1 3 362.518 2.646 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417690580 513163804 /nfs/dbraw/zinc/16/38/04/513163804.db2.gz VGQBJZKKGYLNRY-UGKGYDQZSA-N 1 3 372.557 2.840 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[NH2+]1 ZINC000417689758 513164054 /nfs/dbraw/zinc/16/40/54/513164054.db2.gz UFYWCWXGONEUAW-AHRSYUTCSA-N 1 3 372.557 2.899 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417690578 513164064 /nfs/dbraw/zinc/16/40/64/513164064.db2.gz VGQBJZKKGYLNRY-KNQAVFIVSA-N 1 3 372.557 2.840 20 0 FFADHO C[C@@](C[NH3+])(NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000415306101 513196567 /nfs/dbraw/zinc/19/65/67/513196567.db2.gz HSHKMCJPFRGMQK-FQEVSTJZSA-N 1 3 360.502 2.800 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000433954220 513197451 /nfs/dbraw/zinc/19/74/51/513197451.db2.gz QRALOFVGIAYBKE-FQEVSTJZSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000433954220 513197456 /nfs/dbraw/zinc/19/74/56/513197456.db2.gz QRALOFVGIAYBKE-FQEVSTJZSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000417828304 513224446 /nfs/dbraw/zinc/22/44/46/513224446.db2.gz FEBMVVFSWOKAMB-XVTUIRBKSA-N 1 3 370.541 2.964 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417828513 513224672 /nfs/dbraw/zinc/22/46/72/513224672.db2.gz QGRKERGXYZSHLB-RLLQIKCJSA-N 1 3 360.546 2.912 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000446293642 513230457 /nfs/dbraw/zinc/23/04/57/513230457.db2.gz PQXOGLOZWVIAAI-NNMXDRDESA-N 1 3 373.541 2.677 20 0 FFADHO CCc1nn(C)c(CC)c1CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421370338 513241004 /nfs/dbraw/zinc/24/10/04/513241004.db2.gz IKKLYDIXCSBXQV-UHFFFAOYSA-N 1 3 361.578 2.537 20 0 FFADHO CCc1nn(C)c(CC)c1CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421370338 513241008 /nfs/dbraw/zinc/24/10/08/513241008.db2.gz IKKLYDIXCSBXQV-UHFFFAOYSA-N 1 3 361.578 2.537 20 0 FFADHO CCc1nn(C)c(CC)c1CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421370338 513241014 /nfs/dbraw/zinc/24/10/14/513241014.db2.gz IKKLYDIXCSBXQV-UHFFFAOYSA-N 1 3 361.578 2.537 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)cc3OC)CC2)CC1 ZINC000421383630 513244875 /nfs/dbraw/zinc/24/48/75/513244875.db2.gz ZPTOHYPFGJUNKN-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)C1 ZINC000429043541 513266915 /nfs/dbraw/zinc/26/69/15/513266915.db2.gz SMXGMZALAKYTAH-YXPKMTABSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)C1 ZINC000429043541 513266916 /nfs/dbraw/zinc/26/69/16/513266916.db2.gz SMXGMZALAKYTAH-YXPKMTABSA-N 1 3 371.569 2.940 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)c2)CC1 ZINC000415507582 513299945 /nfs/dbraw/zinc/29/99/45/513299945.db2.gz VYKXJOOYFVAVRX-IBGZPJMESA-N 1 3 361.534 2.666 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418012840 513334162 /nfs/dbraw/zinc/33/41/62/513334162.db2.gz MMXQMJSENPXZQE-PBASOCQRSA-N 1 3 370.541 2.538 20 0 FFADHO CCCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000418020385 513337064 /nfs/dbraw/zinc/33/70/64/513337064.db2.gz ZUZHOJBPZFAJDE-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418040695 513348295 /nfs/dbraw/zinc/34/82/95/513348295.db2.gz JKYZGFYTTPDDLU-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418110372 513376186 /nfs/dbraw/zinc/37/61/86/513376186.db2.gz WFVWKEQECCKTSI-LRVUVFPRSA-N 1 3 364.456 2.608 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(CC(F)F)C2)CC1 ZINC000418139429 513387926 /nfs/dbraw/zinc/38/79/26/513387926.db2.gz UPKVFMJCESSIIZ-GOSISDBHSA-N 1 3 366.500 2.648 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000418139896 513388503 /nfs/dbraw/zinc/38/85/03/513388503.db2.gz KDKHZFJIHBBUFF-PXNSSMCTSA-N 1 3 358.530 2.586 20 0 FFADHO C[NH+](C)[C@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429492089 513390814 /nfs/dbraw/zinc/39/08/14/513390814.db2.gz MJACMJACLAWKLG-VQTJNVASSA-N 1 3 372.557 2.805 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCc3ccc([C@H](C)[NH3+])cc3)cc2)CC1 ZINC000429510102 513396591 /nfs/dbraw/zinc/39/65/91/513396591.db2.gz RWCGPTNICXVUPN-KRWDZBQOSA-N 1 3 366.509 2.778 20 0 FFADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418158106 513397014 /nfs/dbraw/zinc/39/70/14/513397014.db2.gz PFNHEZKTABUZIN-IDPBPBMLSA-N 1 3 366.509 2.690 20 0 FFADHO CCCN(C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)C1CC[NH2+]CC1 ZINC000418164846 513400660 /nfs/dbraw/zinc/40/06/60/513400660.db2.gz IRYMPJYTNGDKDW-DOTOQJQBSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccco1 ZINC000418168006 513401746 /nfs/dbraw/zinc/40/17/46/513401746.db2.gz NIVFUEVRWDIZAX-WBVHZDCISA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418172602 513404641 /nfs/dbraw/zinc/40/46/41/513404641.db2.gz XCKPKWILPVYLQR-ZOBUZTSGSA-N 1 3 350.507 2.786 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418191922 513414461 /nfs/dbraw/zinc/41/44/61/513414461.db2.gz LQTORYUDZNAOFD-DLBZAZTESA-N 1 3 370.488 2.770 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000418200774 513419330 /nfs/dbraw/zinc/41/93/30/513419330.db2.gz YRBUXYKCQAKLIP-CWJKEVGVSA-N 1 3 370.541 2.681 20 0 FFADHO CSC1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN(C)CC1 ZINC000418201036 513419730 /nfs/dbraw/zinc/41/97/30/513419730.db2.gz RDWMOZBWEUEXDR-QGZVFWFLSA-N 1 3 364.559 2.593 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418227243 513430339 /nfs/dbraw/zinc/43/03/39/513430339.db2.gz CCCHOWRHKIPTQC-WMZOPIPTSA-N 1 3 362.543 2.547 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)N(C)C)cc1 ZINC000418226213 513430532 /nfs/dbraw/zinc/43/05/32/513430532.db2.gz ASHHIKKCMVXIRI-MSOLQXFVSA-N 1 3 364.559 2.828 20 0 FFADHO CNc1ccc(Cl)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000425157009 513430632 /nfs/dbraw/zinc/43/06/32/513430632.db2.gz NOAZOZKSBALVAP-UHFFFAOYSA-N 1 3 364.921 2.670 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000418230577 513432596 /nfs/dbraw/zinc/43/25/96/513432596.db2.gz JPQIKRIIMZWPNJ-QGTPRVQTSA-N 1 3 364.559 2.923 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000418233645 513433983 /nfs/dbraw/zinc/43/39/83/513433983.db2.gz OQUJQGHKONFQPX-SJLPKXTDSA-N 1 3 364.559 2.795 20 0 FFADHO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000421868446 513455754 /nfs/dbraw/zinc/45/57/54/513455754.db2.gz QODZZAPJRCMJNN-IAGOWNOFSA-N 1 3 350.503 2.862 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441018604 513461921 /nfs/dbraw/zinc/46/19/21/513461921.db2.gz GOQFALDEVRZOCJ-GOSISDBHSA-N 1 3 362.562 2.816 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000441018604 513461927 /nfs/dbraw/zinc/46/19/27/513461927.db2.gz GOQFALDEVRZOCJ-GOSISDBHSA-N 1 3 362.562 2.816 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418331975 513466840 /nfs/dbraw/zinc/46/68/40/513466840.db2.gz CZIWHYQDVMUAAN-LXZKKBNFSA-N 1 3 352.910 2.630 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418339351 513471076 /nfs/dbraw/zinc/47/10/76/513471076.db2.gz MDPOMAFFSOTAKF-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CN1C1CC1 ZINC000441061705 513471527 /nfs/dbraw/zinc/47/15/27/513471527.db2.gz XFSSDUVCRLQLEU-IMFGXOCKSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CN1C1CC1 ZINC000441061705 513471533 /nfs/dbraw/zinc/47/15/33/513471533.db2.gz XFSSDUVCRLQLEU-IMFGXOCKSA-N 1 3 362.562 2.956 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000418346275 513475362 /nfs/dbraw/zinc/47/53/62/513475362.db2.gz HRIIMRQPOFZSBK-FPOVZHCZSA-N 1 3 358.530 2.937 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000418346275 513475370 /nfs/dbraw/zinc/47/53/70/513475370.db2.gz HRIIMRQPOFZSBK-FPOVZHCZSA-N 1 3 358.530 2.937 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418359568 513481837 /nfs/dbraw/zinc/48/18/37/513481837.db2.gz JJOOSXZDCVKTPA-QGZVFWFLSA-N 1 3 352.548 2.729 20 0 FFADHO [NH3+]C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000418371119 513486487 /nfs/dbraw/zinc/48/64/87/513486487.db2.gz XARDCIULJMSSGQ-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418448078 513513265 /nfs/dbraw/zinc/51/32/65/513513265.db2.gz JDMPDVHXVNKNLF-HBFSDRIKSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418448078 513513266 /nfs/dbraw/zinc/51/32/66/513513266.db2.gz JDMPDVHXVNKNLF-HBFSDRIKSA-N 1 3 358.530 2.982 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H](N)c3ccccc3)C2)CC1 ZINC000418454285 513517043 /nfs/dbraw/zinc/51/70/43/513517043.db2.gz QBFKCRKZAWJRSV-UYAOXDASSA-N 1 3 358.530 2.840 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000418465990 513522705 /nfs/dbraw/zinc/52/27/05/513522705.db2.gz NMWWABWQKOZHDN-OALUTQOASA-N 1 3 361.534 2.595 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415993168 513524724 /nfs/dbraw/zinc/52/47/24/513524724.db2.gz IBJHINWJNFPJHO-MRXNPFEDSA-N 1 3 372.435 2.538 20 0 FFADHO NC[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000418497081 513533533 /nfs/dbraw/zinc/53/35/33/513533533.db2.gz GNVPNHKTNKXLKD-XUVXKRRUSA-N 1 3 352.482 2.527 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503649 513536930 /nfs/dbraw/zinc/53/69/30/513536930.db2.gz YTBGKEVVIYYORK-VQTJNVASSA-N 1 3 354.498 2.964 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503649 513536936 /nfs/dbraw/zinc/53/69/36/513536936.db2.gz YTBGKEVVIYYORK-VQTJNVASSA-N 1 3 354.498 2.964 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416038705 513551369 /nfs/dbraw/zinc/55/13/69/513551369.db2.gz FEZTXDZUKBDSTO-ZDUSSCGKSA-N 1 3 366.472 2.808 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418555348 513556150 /nfs/dbraw/zinc/55/61/50/513556150.db2.gz WTVCYKNTUHRYKO-QGZVFWFLSA-N 1 3 352.910 2.555 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)CC1 ZINC000418616088 513578678 /nfs/dbraw/zinc/57/86/78/513578678.db2.gz LBTCGMQNTPTQDV-MKCYZYCBSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418620069 513579336 /nfs/dbraw/zinc/57/93/36/513579336.db2.gz KGFWLXIHFRIDDB-PXNSSMCTSA-N 1 3 358.530 2.667 20 0 FFADHO CCN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418623615 513581714 /nfs/dbraw/zinc/58/17/14/513581714.db2.gz OKNCJDLCZZLRSV-WOJBJXKFSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425473219 513583860 /nfs/dbraw/zinc/58/38/60/513583860.db2.gz KJDMVWGRGAJLPN-XSDIEEQYSA-N 1 3 370.541 2.775 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425475060 513587055 /nfs/dbraw/zinc/58/70/55/513587055.db2.gz LIFBCRFCNKYVOU-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422143440 513595293 /nfs/dbraw/zinc/59/52/93/513595293.db2.gz PQGGJDYXFQWDBZ-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418684770 513610996 /nfs/dbraw/zinc/61/09/96/513610996.db2.gz HNGIYXCPNUSPLB-AWEZNQCLSA-N 1 3 374.451 2.906 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447984992 513647381 /nfs/dbraw/zinc/64/73/81/513647381.db2.gz CJFLSMVXNBFHPI-QZTJIDSGSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447984992 513647388 /nfs/dbraw/zinc/64/73/88/513647388.db2.gz CJFLSMVXNBFHPI-QZTJIDSGSA-N 1 3 352.567 2.918 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448044711 513663907 /nfs/dbraw/zinc/66/39/07/513663907.db2.gz WLEZOLQPKHCJRQ-ZWKOTPCHSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448044711 513663910 /nfs/dbraw/zinc/66/39/10/513663910.db2.gz WLEZOLQPKHCJRQ-ZWKOTPCHSA-N 1 3 352.567 2.774 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000425640294 513674871 /nfs/dbraw/zinc/67/48/71/513674871.db2.gz PVBLDSWEUVHYKC-LEWJYISDSA-N 1 3 370.541 2.908 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000435782754 513682766 /nfs/dbraw/zinc/68/27/66/513682766.db2.gz SSEBPFCHLKURNJ-IBGZPJMESA-N 1 3 367.541 2.965 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000430588191 513697256 /nfs/dbraw/zinc/69/72/56/513697256.db2.gz YSACURGUMWZYAM-QWHCGFSZSA-N 1 3 354.292 2.837 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000430595968 513699221 /nfs/dbraw/zinc/69/92/21/513699221.db2.gz NGZQHOHEASOYBH-FQEVSTJZSA-N 1 3 355.486 2.535 20 0 FFADHO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(C[NH3+])CC1 ZINC000430605827 513702766 /nfs/dbraw/zinc/70/27/66/513702766.db2.gz UNIBRXCIYVVNDV-KRWDZBQOSA-N 1 3 351.494 2.951 20 0 FFADHO NC1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CCCC1 ZINC000430724370 513733194 /nfs/dbraw/zinc/73/31/94/513733194.db2.gz VJDJRGMYXKWWEN-UHFFFAOYSA-N 1 3 358.486 2.711 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)N(C)C ZINC000425786546 513747839 /nfs/dbraw/zinc/74/78/39/513747839.db2.gz MCMSMAKREZOHFF-RAUXBKROSA-N 1 3 358.530 2.722 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)N(C)C ZINC000425786546 513747848 /nfs/dbraw/zinc/74/78/48/513747848.db2.gz MCMSMAKREZOHFF-RAUXBKROSA-N 1 3 358.530 2.722 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCOc1cccc2ccccc21 ZINC000436055934 513748302 /nfs/dbraw/zinc/74/83/02/513748302.db2.gz CEOLEJRDXOGBJJ-SFHVURJKSA-N 1 3 355.482 2.538 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000448460454 513763050 /nfs/dbraw/zinc/76/30/50/513763050.db2.gz BXZKMWAYKBVFNE-IHPCNDPISA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000448460454 513763055 /nfs/dbraw/zinc/76/30/55/513763055.db2.gz BXZKMWAYKBVFNE-IHPCNDPISA-N 1 3 360.546 2.531 20 0 FFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430872357 513770401 /nfs/dbraw/zinc/77/04/01/513770401.db2.gz IOVRSNGJFGQMGX-HNAYVOBHSA-N 1 3 360.502 2.813 20 0 FFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1(C)C ZINC000451494827 513786898 /nfs/dbraw/zinc/78/68/98/513786898.db2.gz JFSCQGIYGSSEMF-IPMKNSEASA-N 1 3 361.530 2.587 20 0 FFADHO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430945478 513789094 /nfs/dbraw/zinc/78/90/94/513789094.db2.gz QWBSSKNMYLDBGC-LSDHHAIUSA-N 1 3 367.921 2.625 20 0 FFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000425918139 513797835 /nfs/dbraw/zinc/79/78/35/513797835.db2.gz DIUYRCKZBUZIOC-DLBZAZTESA-N 1 3 367.559 2.710 20 0 FFADHO CN1CCN(CC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1(C)C ZINC000442874886 513802280 /nfs/dbraw/zinc/80/22/80/513802280.db2.gz MWMQYFGIANOJSR-FQEVSTJZSA-N 1 3 367.541 2.865 20 0 FFADHO CN1CCN(Cc2ccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422712873 513910809 /nfs/dbraw/zinc/91/08/09/513910809.db2.gz OTJFKCIFBWNMRF-VXKWHMMOSA-N 1 3 350.510 2.668 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422799465 513935926 /nfs/dbraw/zinc/93/59/26/513935926.db2.gz WVQPNDPDYHEIJO-UKPHBRMFSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422799465 513935932 /nfs/dbraw/zinc/93/59/32/513935932.db2.gz WVQPNDPDYHEIJO-UKPHBRMFSA-N 1 3 360.420 2.714 20 0 FFADHO c1ccc(N2CCN(CCCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422803662 513937114 /nfs/dbraw/zinc/93/71/14/513937114.db2.gz DHCGQBQCJCLIBT-BHDDXSALSA-N 1 3 356.558 2.709 20 0 FFADHO COc1cc(C[C@H](CO)CN[C@H](C)C[C@H]2CCCCC[NH2+]2)cc(OC)c1 ZINC000422825253 513943324 /nfs/dbraw/zinc/94/33/24/513943324.db2.gz PPGPGXXATCFEPR-NZSAHSFTSA-N 1 3 364.530 2.755 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422828177 513944440 /nfs/dbraw/zinc/94/44/40/513944440.db2.gz NTQXGUPTMPNYTM-VDGAXYAQSA-N 1 3 364.493 2.927 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]1NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000422826027 513944668 /nfs/dbraw/zinc/94/46/68/513944668.db2.gz BKQZYAZXANPBIR-MSOLQXFVSA-N 1 3 370.463 2.687 20 0 FFADHO N[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000422826027 513944673 /nfs/dbraw/zinc/94/46/73/513944673.db2.gz BKQZYAZXANPBIR-MSOLQXFVSA-N 1 3 370.463 2.687 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422836680 513946694 /nfs/dbraw/zinc/94/66/94/513946694.db2.gz RRZKCGXAOZVNDN-LBPRGKRZSA-N 1 3 367.419 3.415 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416792557 513969145 /nfs/dbraw/zinc/96/91/45/513969145.db2.gz LSHKWSRFLBTNMB-UHFFFAOYSA-N 1 3 370.541 2.826 20 0 FFADHO Brc1cccc(C2(C[NH2+]C3CCNCC3)CCOCC2)c1 ZINC000422936185 513980850 /nfs/dbraw/zinc/98/08/50/513980850.db2.gz FBQWYDPJCWGPJK-UHFFFAOYSA-N 1 3 353.304 2.839 20 0 FFADHO Brc1cccc(C2(CNC3CC[NH2+]CC3)CCOCC2)c1 ZINC000422936185 513980859 /nfs/dbraw/zinc/98/08/59/513980859.db2.gz FBQWYDPJCWGPJK-UHFFFAOYSA-N 1 3 353.304 2.839 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422956312 513990171 /nfs/dbraw/zinc/99/01/71/513990171.db2.gz PFWSMLINFJABMW-TZMCWYRMSA-N 1 3 354.292 2.803 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422956312 513990177 /nfs/dbraw/zinc/99/01/77/513990177.db2.gz PFWSMLINFJABMW-TZMCWYRMSA-N 1 3 354.292 2.803 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422956143 513991033 /nfs/dbraw/zinc/99/10/33/513991033.db2.gz KTAFOTOXUVUWIM-CJNGLKHVSA-N 1 3 350.434 2.560 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000416848885 514001079 /nfs/dbraw/zinc/00/10/79/514001079.db2.gz XHUUASNRSRERNL-ZCNNSNEGSA-N 1 3 358.530 2.711 20 0 FFADHO Cc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CC2)cc1 ZINC000414188699 514002869 /nfs/dbraw/zinc/00/28/69/514002869.db2.gz JBOBOKCLFUHLFT-OAQYLSRUSA-N 1 3 357.542 2.832 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416857747 514007644 /nfs/dbraw/zinc/00/76/44/514007644.db2.gz YHGDUGZGRJVUFO-HOTGVXAUSA-N 1 3 352.548 2.948 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000423023451 514011224 /nfs/dbraw/zinc/01/12/24/514011224.db2.gz HLBVIEMEFDOCPK-YJBOKZPZSA-N 1 3 354.502 2.557 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](CCOC)c2ccc(C)o2)CC[NH2+]CC1 ZINC000423040625 514015103 /nfs/dbraw/zinc/01/51/03/514015103.db2.gz HQWZQUUBHBVICI-CVEARBPZSA-N 1 3 352.475 2.577 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423076689 514030361 /nfs/dbraw/zinc/03/03/61/514030361.db2.gz RRSHSOLWPIHDKG-UKPHBRMFSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423076689 514030364 /nfs/dbraw/zinc/03/03/64/514030364.db2.gz RRSHSOLWPIHDKG-UKPHBRMFSA-N 1 3 355.320 2.578 20 0 FFADHO CCCN(C(=O)NCc1ccccc1CN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000416908897 514039963 /nfs/dbraw/zinc/03/99/63/514039963.db2.gz XDRQDZMXFYDINI-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416910906 514040771 /nfs/dbraw/zinc/04/07/71/514040771.db2.gz ZYMJJNUWLMFSPT-FQEVSTJZSA-N 1 3 356.514 2.708 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000431922350 514041063 /nfs/dbraw/zinc/04/10/63/514041063.db2.gz KPKWBZLRALNNCE-QGZVFWFLSA-N 1 3 353.576 2.729 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000431922350 514041067 /nfs/dbraw/zinc/04/10/67/514041067.db2.gz KPKWBZLRALNNCE-QGZVFWFLSA-N 1 3 353.576 2.729 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2c(F)cccc2SC)CC[NH2+]CC1 ZINC000423111542 514045586 /nfs/dbraw/zinc/04/55/86/514045586.db2.gz WFVMXASZLLEHOL-ZDUSSCGKSA-N 1 3 354.491 2.959 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423112352 514046068 /nfs/dbraw/zinc/04/60/68/514046068.db2.gz JVPJHVDPURGHKO-DOIPELPJSA-N 1 3 355.526 2.730 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCn1cc(Br)cn1 ZINC000423123364 514050895 /nfs/dbraw/zinc/05/08/95/514050895.db2.gz LGMANYNDYGAXRW-CJNGLKHVSA-N 1 3 351.292 2.584 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCn1cc(Br)cn1 ZINC000423130897 514054301 /nfs/dbraw/zinc/05/43/01/514054301.db2.gz SMFCWXHDVNYYSM-NSHDSACASA-N 1 3 352.280 2.549 20 0 FFADHO CCOC(=O)c1cnn(C2CC[NH+]([C@H]3C[C@@H](N)c4ccccc43)CC2)c1 ZINC000423156996 514063048 /nfs/dbraw/zinc/06/30/48/514063048.db2.gz LYHREEYVQVOGNI-MOPGFXCFSA-N 1 3 354.454 2.842 20 0 FFADHO CCOC(=O)c1cnn(C2CC[NH+]([C@H]3C[C@H](N)c4ccccc43)CC2)c1 ZINC000423156997 514063080 /nfs/dbraw/zinc/06/30/80/514063080.db2.gz LYHREEYVQVOGNI-OALUTQOASA-N 1 3 354.454 2.842 20 0 FFADHO C[C@@H](CNC1CC[NH+](CC2CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090699 514068834 /nfs/dbraw/zinc/06/88/34/514068834.db2.gz OIHLVZKJMJTDBP-HNNXBMFYSA-N 1 3 350.528 2.658 20 0 FFADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423190272 514075559 /nfs/dbraw/zinc/07/55/59/514075559.db2.gz QVLHISPBDSIALV-KNQAVFIVSA-N 1 3 368.525 2.613 20 0 FFADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299476 514078029 /nfs/dbraw/zinc/07/80/29/514078029.db2.gz ITTUXBHNKZUGFT-ACRUOGEOSA-N 1 3 354.494 2.633 20 0 FFADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299476 514078034 /nfs/dbraw/zinc/07/80/34/514078034.db2.gz ITTUXBHNKZUGFT-ACRUOGEOSA-N 1 3 354.494 2.633 20 0 FFADHO COc1ccccc1C[C@@H]1CCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299476 514078036 /nfs/dbraw/zinc/07/80/36/514078036.db2.gz ITTUXBHNKZUGFT-ACRUOGEOSA-N 1 3 354.494 2.633 20 0 FFADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)c(F)c1 ZINC000420300702 514080681 /nfs/dbraw/zinc/08/06/81/514080681.db2.gz DAWCLNUZSPUQLB-MRXNPFEDSA-N 1 3 351.853 2.660 20 0 FFADHO C[C@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000449130501 514086132 /nfs/dbraw/zinc/08/61/32/514086132.db2.gz GUXCNAGEBPDDMU-RTWAWAEBSA-N 1 3 372.601 2.555 20 0 FFADHO c1ccc(-c2nccc(N3CCN(CC[C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000420315758 514088900 /nfs/dbraw/zinc/08/89/00/514088900.db2.gz LJWQFUSVESPQHZ-GOSISDBHSA-N 1 3 351.498 2.655 20 0 FFADHO CCC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000449161105 514097061 /nfs/dbraw/zinc/09/70/61/514097061.db2.gz NTWLSYQIDGYYTO-AWEZNQCLSA-N 1 3 359.436 2.984 20 0 FFADHO CCOc1ccccc1[C@@H](CC)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346002 514103820 /nfs/dbraw/zinc/10/38/20/514103820.db2.gz WBZJUJWBNQUCHW-ZIFCJYIRSA-N 1 3 359.514 2.584 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449184198 514104641 /nfs/dbraw/zinc/10/46/41/514104641.db2.gz DKRPTGWAYFMMGO-UHFFFAOYSA-N 1 3 360.477 2.551 20 0 FFADHO CC[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417003938 514109929 /nfs/dbraw/zinc/10/99/29/514109929.db2.gz CCERVKQBUQTMOG-FXAWDEMLSA-N 1 3 358.530 2.512 20 0 FFADHO CC[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000417005892 514111095 /nfs/dbraw/zinc/11/10/95/514111095.db2.gz DYKSJNXWZGSCJB-UXHICEINSA-N 1 3 360.546 2.838 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417006623 514112418 /nfs/dbraw/zinc/11/24/18/514112418.db2.gz JVHZJWHVNYTODK-WBVHZDCISA-N 1 3 352.548 2.820 20 0 FFADHO NCc1cn([C@H]2CCC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000420372827 514115757 /nfs/dbraw/zinc/11/57/57/514115757.db2.gz FPXOTGWPBGSQIZ-HNNXBMFYSA-N 1 3 370.284 2.760 20 0 FFADHO NCc1cn([C@H]2CCC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000420372827 514115758 /nfs/dbraw/zinc/11/57/58/514115758.db2.gz FPXOTGWPBGSQIZ-HNNXBMFYSA-N 1 3 370.284 2.760 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccsc1 ZINC000417011351 514116003 /nfs/dbraw/zinc/11/60/03/514116003.db2.gz RRQRZELJOOMBDZ-RCCFBDPRSA-N 1 3 364.559 2.818 20 0 FFADHO N[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000423358903 514116568 /nfs/dbraw/zinc/11/65/68/514116568.db2.gz CKMVQAQIOQCRJI-IBGZPJMESA-N 1 3 358.486 2.567 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000417011741 514117133 /nfs/dbraw/zinc/11/71/33/514117133.db2.gz SVLLTDAYBGXUAM-AEFFLSMTSA-N 1 3 352.548 2.820 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccsc1 ZINC000417013509 514119970 /nfs/dbraw/zinc/11/99/70/514119970.db2.gz YPBRVBRPJXLPDB-HYVNUMGLSA-N 1 3 352.548 2.948 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)CCCCC1 ZINC000427153408 514132293 /nfs/dbraw/zinc/13/22/93/514132293.db2.gz BTCYAPJHICGOGH-LJQANCHMSA-N 1 3 365.562 2.602 20 0 FFADHO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000452015263 514138040 /nfs/dbraw/zinc/13/80/40/514138040.db2.gz IBYHCWXCIOIGLM-NHCUHLMSSA-N 1 3 373.541 2.577 20 0 FFADHO C[C@@H](C[NH2+]CC(C)(C)CN1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449285096 514145562 /nfs/dbraw/zinc/14/55/62/514145562.db2.gz PRTWZLIYBGQCTF-INIZCTEOSA-N 1 3 352.544 2.905 20 0 FFADHO C[C@@H](CNCC(C)(C)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449285096 514145569 /nfs/dbraw/zinc/14/55/69/514145569.db2.gz PRTWZLIYBGQCTF-INIZCTEOSA-N 1 3 352.544 2.905 20 0 FFADHO C[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)CC1CCCCC1 ZINC000414487467 514146040 /nfs/dbraw/zinc/14/60/40/514146040.db2.gz SGHOVFUYFYYDSF-LJQANCHMSA-N 1 3 351.579 2.979 20 0 FFADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423518844 514159149 /nfs/dbraw/zinc/15/91/49/514159149.db2.gz PJBRFIMJAFQBCK-PMACEKPBSA-N 1 3 373.522 2.781 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417089902 514163191 /nfs/dbraw/zinc/16/31/91/514163191.db2.gz SJVOFDOPOJCCCV-VQIMIIECSA-N 1 3 358.530 2.735 20 0 FFADHO CC1(C)CN(C2(CNC(=O)C[C@@H]3CCC[NH2+]CC3)CCCCC2)CCO1 ZINC000427273457 514169589 /nfs/dbraw/zinc/16/95/89/514169589.db2.gz MEXPJBZSCBYLJA-GOSISDBHSA-N 1 3 365.562 2.696 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449332211 514170791 /nfs/dbraw/zinc/17/07/91/514170791.db2.gz CIIBDOUUXSFYAO-JMUQELJHSA-N 1 3 363.505 2.869 20 0 FFADHO O=C(C[C@H]1CCC[NH2+]CC1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000427282921 514172100 /nfs/dbraw/zinc/17/21/00/514172100.db2.gz VFCZESTUVXAAAJ-SFHVURJKSA-N 1 3 370.541 2.937 20 0 FFADHO C[C@H](NC1(CNC(=O)C[C@H]2CCC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000427293669 514173955 /nfs/dbraw/zinc/17/39/55/514173955.db2.gz DMCWIJPPVXAYDL-OALUTQOASA-N 1 3 373.541 2.782 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000449395665 514194491 /nfs/dbraw/zinc/19/44/91/514194491.db2.gz JSBZAYSJRYCAGK-UGKGYDQZSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCN(CCCO)C2)CC1 ZINC000449395665 514194502 /nfs/dbraw/zinc/19/45/02/514194502.db2.gz JSBZAYSJRYCAGK-UGKGYDQZSA-N 1 3 359.558 2.518 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449397027 514194742 /nfs/dbraw/zinc/19/47/42/514194742.db2.gz UFWPJZOLOQBXMB-BXXSPATCSA-N 1 3 371.569 2.724 20 0 FFADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423744450 514216584 /nfs/dbraw/zinc/21/65/84/514216584.db2.gz LHFLYVADDMWUCI-OAQYLSRUSA-N 1 3 357.542 2.933 20 0 FFADHO O=C([C@H]1CC[NH2+]1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000423754917 514219907 /nfs/dbraw/zinc/21/99/07/514219907.db2.gz ZRYUDSBMJGXYES-MRXNPFEDSA-N 1 3 356.297 2.780 20 0 FFADHO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN(C2CC2)C1 ZINC000452172227 514230140 /nfs/dbraw/zinc/23/01/40/514230140.db2.gz UUTKWYZOFRQYNL-GOSISDBHSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000423845166 514259730 /nfs/dbraw/zinc/25/97/30/514259730.db2.gz JUDDOGSMBRZLQG-DLBZAZTESA-N 1 3 358.530 2.749 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)C1 ZINC000414737222 514265144 /nfs/dbraw/zinc/26/51/44/514265144.db2.gz AGIPLCLAUCGOQX-PGRDOPGGSA-N 1 3 355.526 2.554 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)C1 ZINC000414737222 514265145 /nfs/dbraw/zinc/26/51/45/514265145.db2.gz AGIPLCLAUCGOQX-PGRDOPGGSA-N 1 3 355.526 2.554 20 0 FFADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000414743814 514268342 /nfs/dbraw/zinc/26/83/42/514268342.db2.gz PBAIKEMSRZOERY-OTWHNJEPSA-N 1 3 365.562 2.634 20 0 FFADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000414743814 514268349 /nfs/dbraw/zinc/26/83/49/514268349.db2.gz PBAIKEMSRZOERY-OTWHNJEPSA-N 1 3 365.562 2.634 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000420792199 514300830 /nfs/dbraw/zinc/30/08/30/514300830.db2.gz HZUANQUXGQVHOX-UHFFFAOYSA-N 1 3 372.557 2.866 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)CN1 ZINC000417352831 514306174 /nfs/dbraw/zinc/30/61/74/514306174.db2.gz HFFWVSKYFYVNSM-MSOLQXFVSA-N 1 3 358.530 2.954 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](C4CCCC4)C3)CC2)CC1 ZINC000420806001 514310760 /nfs/dbraw/zinc/31/07/60/514310760.db2.gz VLKHWALLJOMNLX-GOSISDBHSA-N 1 3 362.562 2.767 20 0 FFADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CCCC1 ZINC000417365228 514314958 /nfs/dbraw/zinc/31/49/58/514314958.db2.gz LUXNVLPNKSCHDH-QAPCUYQASA-N 1 3 364.559 2.777 20 0 FFADHO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000417379714 514323136 /nfs/dbraw/zinc/32/31/36/514323136.db2.gz JSIVULWDYMRITR-KRWDZBQOSA-N 1 3 364.530 2.845 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414932155 514360802 /nfs/dbraw/zinc/36/08/02/514360802.db2.gz CIZHTKJQIJJJIG-JMSVASOKSA-N 1 3 359.392 2.890 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414932155 514360809 /nfs/dbraw/zinc/36/08/09/514360809.db2.gz CIZHTKJQIJJJIG-JMSVASOKSA-N 1 3 359.392 2.890 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000420924936 514379862 /nfs/dbraw/zinc/37/98/62/514379862.db2.gz YCJQNWNRSALGQZ-PXNSSMCTSA-N 1 3 358.530 2.948 20 0 FFADHO O=C1CC[C@@H](NCc2cc(F)cc(C(F)(F)F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414997844 514393877 /nfs/dbraw/zinc/39/38/77/514393877.db2.gz ZWKMZZQGVZXIEO-WBVHZDCISA-N 1 3 373.394 2.581 20 0 FFADHO C[C@@H]1C[C@@H]1N1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H](C)C1 ZINC000420957458 514401060 /nfs/dbraw/zinc/40/10/60/514401060.db2.gz BRLHZUILNQSUCV-KNKQGSTJSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@@H]1C[C@@H]1N1CC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H](C)C1 ZINC000420957458 514401066 /nfs/dbraw/zinc/40/10/66/514401066.db2.gz BRLHZUILNQSUCV-KNKQGSTJSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417581282 514420132 /nfs/dbraw/zinc/42/01/32/514420132.db2.gz FXLRYRWHYSFGFR-SVPXJYONSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000417581282 514420141 /nfs/dbraw/zinc/42/01/41/514420141.db2.gz FXLRYRWHYSFGFR-SVPXJYONSA-N 1 3 356.514 2.574 20 0 FFADHO CC1(C)CCCN(CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000445121905 514420596 /nfs/dbraw/zinc/42/05/96/514420596.db2.gz PBLVQHIAGCZDJN-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3c(C)cc(C)nc3OC)CC2)CC1 ZINC000420982549 514421107 /nfs/dbraw/zinc/42/11/07/514421107.db2.gz PIEPCPXSEUHBMC-UHFFFAOYSA-N 1 3 360.546 2.699 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3c(C)cc(C)nc3OC)CC2)CC1 ZINC000420982549 514421114 /nfs/dbraw/zinc/42/11/14/514421114.db2.gz PIEPCPXSEUHBMC-UHFFFAOYSA-N 1 3 360.546 2.699 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3c(C)cc(C)nc3OC)CC2)CC1 ZINC000420982549 514421123 /nfs/dbraw/zinc/42/11/23/514421123.db2.gz PIEPCPXSEUHBMC-UHFFFAOYSA-N 1 3 360.546 2.699 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000420982141 514422385 /nfs/dbraw/zinc/42/23/85/514422385.db2.gz OSSXOQHGWHCIHJ-UHFFFAOYSA-N 1 3 367.578 2.990 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000420982141 514422387 /nfs/dbraw/zinc/42/23/87/514422387.db2.gz OSSXOQHGWHCIHJ-UHFFFAOYSA-N 1 3 367.578 2.990 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000415063443 514423110 /nfs/dbraw/zinc/42/31/10/514423110.db2.gz IAXBXWIPHWYZQF-IFXJQAMLSA-N 1 3 372.513 2.859 20 0 FFADHO CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000428247492 514432012 /nfs/dbraw/zinc/43/20/12/514432012.db2.gz OASIOIDNBNCHQL-JSXRDJHFSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000428247492 514432019 /nfs/dbraw/zinc/43/20/19/514432019.db2.gz OASIOIDNBNCHQL-JSXRDJHFSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000428247492 514432028 /nfs/dbraw/zinc/43/20/28/514432028.db2.gz OASIOIDNBNCHQL-JSXRDJHFSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415075970 514432398 /nfs/dbraw/zinc/43/23/98/514432398.db2.gz BZQXTUYCKLIJOF-WIYYLYMNSA-N 1 3 372.557 2.990 20 0 FFADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1OC(F)F ZINC000415091352 514438700 /nfs/dbraw/zinc/43/87/00/514438700.db2.gz YYRHGYAWQXANJN-UKRRQHHQSA-N 1 3 355.429 2.526 20 0 FFADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417617277 514438765 /nfs/dbraw/zinc/43/87/65/514438765.db2.gz FHGDPHBKRZXRMC-ZWKOTPCHSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H](C)CN1 ZINC000417617275 514439367 /nfs/dbraw/zinc/43/93/67/514439367.db2.gz FHGDPHBKRZXRMC-QZTJIDSGSA-N 1 3 358.530 2.954 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]CCc2cccc(-c3ccccc3)c2)C1 ZINC000415095427 514440164 /nfs/dbraw/zinc/44/01/64/514440164.db2.gz ZMRBCMIPVHXKAF-LJQANCHMSA-N 1 3 351.494 2.683 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000415111501 514448317 /nfs/dbraw/zinc/44/83/17/514448317.db2.gz CFMPOXYHCIOOPN-IRLDBZIGSA-N 1 3 365.521 2.800 20 0 FFADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3cccc(OCC(F)(F)F)c3)C2)nn1 ZINC000415125002 514454355 /nfs/dbraw/zinc/45/43/55/514454355.db2.gz KVLCQUHKGQZRQG-HNNXBMFYSA-N 1 3 369.391 2.515 20 0 FFADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000424321039 514455736 /nfs/dbraw/zinc/45/57/36/514455736.db2.gz IGNNISZZRDUJAL-UWHLTILDSA-N 1 3 355.526 2.745 20 0 FFADHO [NH3+]C1(CNCc2cccc3c2OCCO3)CCN(Cc2ccccc2)CC1 ZINC000415134173 514460532 /nfs/dbraw/zinc/46/05/32/514460532.db2.gz OAKOANNUYCLKLL-UHFFFAOYSA-N 1 3 367.493 2.541 20 0 FFADHO O=C1N[C@@H]2CN(Cc3ccc4ccccc4c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140369 514464591 /nfs/dbraw/zinc/46/45/91/514464591.db2.gz NCSOVHMJZALSIP-NHCUHLMSSA-N 1 3 364.493 2.560 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCC2)N2CCCC2)cc1 ZINC000445557958 514492184 /nfs/dbraw/zinc/49/21/84/514492184.db2.gz OFJPIVPXQDMMBH-IBGZPJMESA-N 1 3 374.529 2.616 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000433569601 514516938 /nfs/dbraw/zinc/51/69/38/514516938.db2.gz RWBITRPZSNQMDD-CTNGQTDRSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000433569601 514516943 /nfs/dbraw/zinc/51/69/43/514516943.db2.gz RWBITRPZSNQMDD-CTNGQTDRSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ncc(-c2ccccc2)n1C ZINC000453110841 514548165 /nfs/dbraw/zinc/54/81/65/514548165.db2.gz OSRATHMGJRHIMY-IEBWSBKVSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ncc(-c2ccccc2)n1C ZINC000453110841 514548173 /nfs/dbraw/zinc/54/81/73/514548173.db2.gz OSRATHMGJRHIMY-IEBWSBKVSA-N 1 3 356.514 2.975 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475109104 514560091 /nfs/dbraw/zinc/56/00/91/514560091.db2.gz KSPCTNDVRFMJOQ-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NCC3(N4CCOCC4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453210089 514571511 /nfs/dbraw/zinc/57/15/11/514571511.db2.gz LUFGGUKEHZJGGT-FKBYEOEOSA-N 1 3 369.553 2.884 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NCC3(N4CCOCC4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453210089 514571512 /nfs/dbraw/zinc/57/15/12/514571512.db2.gz LUFGGUKEHZJGGT-FKBYEOEOSA-N 1 3 369.553 2.884 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000458122823 514577159 /nfs/dbraw/zinc/57/71/59/514577159.db2.gz ARIFCOKIRBFYGK-QGZVFWFLSA-N 1 3 358.530 2.764 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000458122823 514577169 /nfs/dbraw/zinc/57/71/69/514577169.db2.gz ARIFCOKIRBFYGK-QGZVFWFLSA-N 1 3 358.530 2.764 20 0 FFADHO CCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000458142987 514583900 /nfs/dbraw/zinc/58/39/00/514583900.db2.gz ZVUPGPQVUJBVDJ-UHFFFAOYSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470723536 514585433 /nfs/dbraw/zinc/58/54/33/514585433.db2.gz PWWGPHUVPWNCNW-SFHLNBCPSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000479457757 514593067 /nfs/dbraw/zinc/59/30/67/514593067.db2.gz RWILSKBJWOJZML-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000479457757 514593070 /nfs/dbraw/zinc/59/30/70/514593070.db2.gz RWILSKBJWOJZML-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453300622 514593579 /nfs/dbraw/zinc/59/35/79/514593579.db2.gz YYZAYGGZJUERIE-WBADGQHESA-N 1 3 371.569 2.866 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000497836001 514652910 /nfs/dbraw/zinc/65/29/10/514652910.db2.gz LVMYOKZZQBMLKO-PKOBYXMFSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000497836001 514652918 /nfs/dbraw/zinc/65/29/18/514652918.db2.gz LVMYOKZZQBMLKO-PKOBYXMFSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000497835998 514653268 /nfs/dbraw/zinc/65/32/68/514653268.db2.gz LVMYOKZZQBMLKO-HKUYNNGSSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000497835998 514653277 /nfs/dbraw/zinc/65/32/77/514653277.db2.gz LVMYOKZZQBMLKO-HKUYNNGSSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)CCn1nccc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000455652956 514660009 /nfs/dbraw/zinc/66/00/09/514660009.db2.gz CZKJWUBFMFMRGS-UHFFFAOYSA-N 1 3 364.538 2.611 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000488981364 514660292 /nfs/dbraw/zinc/66/02/92/514660292.db2.gz MZCLLNTVGFSKSX-KURKYZTESA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488981364 514660299 /nfs/dbraw/zinc/66/02/99/514660299.db2.gz MZCLLNTVGFSKSX-KURKYZTESA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)N1[C@H](C)CC[C@@H]1C ZINC000458277571 514681857 /nfs/dbraw/zinc/68/18/57/514681857.db2.gz DUYSPVHBRYCSJO-ZNMIVQPWSA-N 1 3 351.466 2.966 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC1 ZINC000458288469 514690080 /nfs/dbraw/zinc/69/00/80/514690080.db2.gz LRVCEKCGSGCSFO-UHFFFAOYSA-N 1 3 351.466 2.825 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000479813647 514732896 /nfs/dbraw/zinc/73/28/96/514732896.db2.gz JDFUGRFNJGBDLK-ULQDDVLXSA-N 1 3 350.507 2.882 20 0 FFADHO OCCN1CCN(CCCC[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000466744803 514752093 /nfs/dbraw/zinc/75/20/93/514752093.db2.gz WCJBUWDBSHEVJU-UHFFFAOYSA-N 1 3 351.579 2.859 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000498117942 514767781 /nfs/dbraw/zinc/76/77/81/514767781.db2.gz QIRSEYKUSQPGSU-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(C)(C)C(F)(F)F ZINC000479941082 514784826 /nfs/dbraw/zinc/78/48/26/514784826.db2.gz PQFYEPMDYDLSGP-CQSZACIVSA-N 1 3 351.457 2.840 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(C)(C)C(F)(F)F ZINC000479941082 514784830 /nfs/dbraw/zinc/78/48/30/514784830.db2.gz PQFYEPMDYDLSGP-CQSZACIVSA-N 1 3 351.457 2.840 20 0 FFADHO CCCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000498199792 514800646 /nfs/dbraw/zinc/80/06/46/514800646.db2.gz DUTHOQKVJWTXIT-DLBZAZTESA-N 1 3 353.457 2.872 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(F)cc1 ZINC000502895226 514833369 /nfs/dbraw/zinc/83/33/69/514833369.db2.gz GNNYEQXFQGUNEE-RTBURBONSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(F)cc1 ZINC000502895226 514833382 /nfs/dbraw/zinc/83/33/82/514833382.db2.gz GNNYEQXFQGUNEE-RTBURBONSA-N 1 3 362.493 2.745 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000458495387 514845568 /nfs/dbraw/zinc/84/55/68/514845568.db2.gz CAXIDOACNJIKMM-NRFANRHFSA-N 1 3 364.578 2.872 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000503040018 514893218 /nfs/dbraw/zinc/89/32/18/514893218.db2.gz SEVGIZNYQGOCGI-WOJBJXKFSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000503040018 514893227 /nfs/dbraw/zinc/89/32/27/514893227.db2.gz SEVGIZNYQGOCGI-WOJBJXKFSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H](N[C@@H](C)CC[NH+]1CCN(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000471595036 514945689 /nfs/dbraw/zinc/94/56/89/514945689.db2.gz RZVAMXCUHWWFQT-NWDGAFQWSA-N 1 3 350.454 2.839 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000508901960 514947220 /nfs/dbraw/zinc/94/72/20/514947220.db2.gz VLZWVIHNLQEVJJ-DMUMMCEESA-N 1 3 358.530 2.864 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000508901960 514947227 /nfs/dbraw/zinc/94/72/27/514947227.db2.gz VLZWVIHNLQEVJJ-DMUMMCEESA-N 1 3 358.530 2.864 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN1CCCC1 ZINC000489854955 515000382 /nfs/dbraw/zinc/00/03/82/515000382.db2.gz HVEGRCDCBSIRIL-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN1CCCC1 ZINC000489854955 515000388 /nfs/dbraw/zinc/00/03/88/515000388.db2.gz HVEGRCDCBSIRIL-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO NC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471840348 515028826 /nfs/dbraw/zinc/02/88/26/515028826.db2.gz RWWONLOPBKLFEY-NHCUHLMSSA-N 1 3 351.494 2.958 20 0 FFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000471840348 515028833 /nfs/dbraw/zinc/02/88/33/515028833.db2.gz RWWONLOPBKLFEY-NHCUHLMSSA-N 1 3 351.494 2.958 20 0 FFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000471840348 515028840 /nfs/dbraw/zinc/02/88/40/515028840.db2.gz RWWONLOPBKLFEY-NHCUHLMSSA-N 1 3 351.494 2.958 20 0 FFADHO C[C@@H](CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)[NH+]1CCCCC1 ZINC000489978844 515056007 /nfs/dbraw/zinc/05/60/07/515056007.db2.gz GFBPSTZIUUYOPI-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000462517458 515102178 /nfs/dbraw/zinc/10/21/78/515102178.db2.gz PQKBDOAWXXSQHL-GGPKGHCWSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000462517458 515102186 /nfs/dbraw/zinc/10/21/86/515102186.db2.gz PQKBDOAWXXSQHL-GGPKGHCWSA-N 1 3 358.530 2.538 20 0 FFADHO CCN(CCC[NH+](CC)CC)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000472086184 515116817 /nfs/dbraw/zinc/11/68/17/515116817.db2.gz PDGTUCRVWHRGHV-UHFFFAOYSA-N 1 3 374.573 2.849 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)N2CCCN(C)CC2)CCCC1)c1ccccc1 ZINC000503707090 515126688 /nfs/dbraw/zinc/12/66/88/515126688.db2.gz HHGKXELLCLJQLC-GOSISDBHSA-N 1 3 358.530 2.997 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000472294383 515210038 /nfs/dbraw/zinc/21/00/38/515210038.db2.gz CKAZVAPSXKVYIE-NHCUHLMSSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000472294383 515210047 /nfs/dbraw/zinc/21/00/47/515210047.db2.gz CKAZVAPSXKVYIE-NHCUHLMSSA-N 1 3 370.541 2.778 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000490872168 515321767 /nfs/dbraw/zinc/32/17/67/515321767.db2.gz PLTBNPQEKICVGM-UHFFFAOYSA-N 1 3 360.546 2.725 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000490872168 515321776 /nfs/dbraw/zinc/32/17/76/515321776.db2.gz PLTBNPQEKICVGM-UHFFFAOYSA-N 1 3 360.546 2.725 20 0 FFADHO C[C@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000477183319 515360385 /nfs/dbraw/zinc/36/03/85/515360385.db2.gz UIRXKJZYFQDHMH-LAUBAEHRSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000477183319 515360396 /nfs/dbraw/zinc/36/03/96/515360396.db2.gz UIRXKJZYFQDHMH-LAUBAEHRSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000477219496 515373392 /nfs/dbraw/zinc/37/33/92/515373392.db2.gz HENZPKDMUPGXRZ-TYCQWZJGSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000477219496 515373404 /nfs/dbraw/zinc/37/34/04/515373404.db2.gz HENZPKDMUPGXRZ-TYCQWZJGSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491186415 515393088 /nfs/dbraw/zinc/39/30/88/515393088.db2.gz MFBMDTHBXBMJEC-FXAWDEMLSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491186415 515393096 /nfs/dbraw/zinc/39/30/96/515393096.db2.gz MFBMDTHBXBMJEC-FXAWDEMLSA-N 1 3 355.526 2.888 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CC1CC[NH+](C)CC1 ZINC000486260191 515405057 /nfs/dbraw/zinc/40/50/57/515405057.db2.gz MRAHDQDDSQERHK-FQEVSTJZSA-N 1 3 358.530 2.626 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccccc1C ZINC000510052506 515416617 /nfs/dbraw/zinc/41/66/17/515416617.db2.gz AANMAKORPNQBTQ-HXUWFJFHSA-N 1 3 360.546 2.595 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccccc1C ZINC000510052506 515416622 /nfs/dbraw/zinc/41/66/22/515416622.db2.gz AANMAKORPNQBTQ-HXUWFJFHSA-N 1 3 360.546 2.595 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000463270290 515424148 /nfs/dbraw/zinc/42/41/48/515424148.db2.gz FXWKXEPONSWLMP-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000463270290 515424155 /nfs/dbraw/zinc/42/41/55/515424155.db2.gz FXWKXEPONSWLMP-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000463270288 515425381 /nfs/dbraw/zinc/42/53/81/515425381.db2.gz FXWKXEPONSWLMP-NQIIRXRSSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000463270288 515425391 /nfs/dbraw/zinc/42/53/91/515425391.db2.gz FXWKXEPONSWLMP-NQIIRXRSSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000499723515 515427363 /nfs/dbraw/zinc/42/73/63/515427363.db2.gz FVGBPJHNBPIAQB-WGMWDUQUSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000499723515 515427372 /nfs/dbraw/zinc/42/73/72/515427372.db2.gz FVGBPJHNBPIAQB-WGMWDUQUSA-N 1 3 370.541 2.633 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459322039 515469999 /nfs/dbraw/zinc/46/99/99/515469999.db2.gz SYNCJVGGFWASKB-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459322039 515470008 /nfs/dbraw/zinc/47/00/08/515470008.db2.gz SYNCJVGGFWASKB-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000459403645 515528100 /nfs/dbraw/zinc/52/81/00/515528100.db2.gz LGNAHNCBBHUIGR-UHFFFAOYSA-N 1 3 359.901 2.964 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000510403953 515529880 /nfs/dbraw/zinc/52/98/80/515529880.db2.gz XVKDRPOQYXWDHH-MOPGFXCFSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000510403953 515529888 /nfs/dbraw/zinc/52/98/88/515529888.db2.gz XVKDRPOQYXWDHH-MOPGFXCFSA-N 1 3 372.557 2.679 20 0 FFADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000510495092 515556620 /nfs/dbraw/zinc/55/66/20/515556620.db2.gz XXZDRRARCOICFO-QGZVFWFLSA-N 1 3 370.541 2.773 20 0 FFADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000510495092 515556628 /nfs/dbraw/zinc/55/66/28/515556628.db2.gz XXZDRRARCOICFO-QGZVFWFLSA-N 1 3 370.541 2.773 20 0 FFADHO C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1=CCN(C)CC1 ZINC000510556610 515585734 /nfs/dbraw/zinc/58/57/34/515585734.db2.gz YQHALRANHKUURH-KURKYZTESA-N 1 3 350.551 2.694 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000454607578 515606017 /nfs/dbraw/zinc/60/60/17/515606017.db2.gz OCFYQFNPEVZVQI-AZUAARDMSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000454607578 515606025 /nfs/dbraw/zinc/60/60/25/515606025.db2.gz OCFYQFNPEVZVQI-AZUAARDMSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000510657556 515626338 /nfs/dbraw/zinc/62/63/38/515626338.db2.gz KDRUOWUYSVLTBD-LJQANCHMSA-N 1 3 367.541 2.942 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000510657556 515626346 /nfs/dbraw/zinc/62/63/46/515626346.db2.gz KDRUOWUYSVLTBD-LJQANCHMSA-N 1 3 367.541 2.942 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000454643758 515632828 /nfs/dbraw/zinc/63/28/28/515632828.db2.gz HBCGKSOUDBZYGB-MSOLQXFVSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000454643758 515632837 /nfs/dbraw/zinc/63/28/37/515632837.db2.gz HBCGKSOUDBZYGB-MSOLQXFVSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000457124335 515669625 /nfs/dbraw/zinc/66/96/25/515669625.db2.gz PQYOSIBLWNEWMI-ICSRJNTNSA-N 1 3 361.505 2.979 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000457124335 515669635 /nfs/dbraw/zinc/66/96/35/515669635.db2.gz PQYOSIBLWNEWMI-ICSRJNTNSA-N 1 3 361.505 2.979 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478023496 515670633 /nfs/dbraw/zinc/67/06/33/515670633.db2.gz CWACGFNMFNTFBK-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478023496 515670637 /nfs/dbraw/zinc/67/06/37/515670637.db2.gz CWACGFNMFNTFBK-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000510994701 515741157 /nfs/dbraw/zinc/74/11/57/515741157.db2.gz FUMNQTOZFHKFHD-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc3ccc(Br)cn23)C1 ZINC000459727966 515774191 /nfs/dbraw/zinc/77/41/91/515774191.db2.gz HVQFEFZSFUNMPX-ZDUSSCGKSA-N 1 3 351.292 2.918 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNCc2cnc3ccc(Br)cn23)C1 ZINC000459727966 515774198 /nfs/dbraw/zinc/77/41/98/515774198.db2.gz HVQFEFZSFUNMPX-ZDUSSCGKSA-N 1 3 351.292 2.918 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNCc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000459733603 515778341 /nfs/dbraw/zinc/77/83/41/515778341.db2.gz NYJGEPWCWCETHZ-GOSISDBHSA-N 1 3 359.514 2.509 20 0 FFADHO C[N@H+]1CCC[C@H](CCNCc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000459733603 515778349 /nfs/dbraw/zinc/77/83/49/515778349.db2.gz NYJGEPWCWCETHZ-GOSISDBHSA-N 1 3 359.514 2.509 20 0 FFADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000482872356 515832233 /nfs/dbraw/zinc/83/22/33/515832233.db2.gz CANVYIGYBXMJMT-AWEZNQCLSA-N 1 3 369.456 2.881 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000457377634 515835544 /nfs/dbraw/zinc/83/55/44/515835544.db2.gz QEHAWLWZQDMACS-RBBKRZOGSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000457377634 515835553 /nfs/dbraw/zinc/83/55/53/515835553.db2.gz QEHAWLWZQDMACS-RBBKRZOGSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000487535750 515896340 /nfs/dbraw/zinc/89/63/40/515896340.db2.gz JCINWDBRGMABEU-FMWKFLBASA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000487535750 515896351 /nfs/dbraw/zinc/89/63/51/515896351.db2.gz JCINWDBRGMABEU-FMWKFLBASA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487551228 515901603 /nfs/dbraw/zinc/90/16/03/515901603.db2.gz SSVLDGRPVXTSMK-YHELAOLJSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487551228 515901611 /nfs/dbraw/zinc/90/16/11/515901611.db2.gz SSVLDGRPVXTSMK-YHELAOLJSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[N@H+](C)C1CC1 ZINC000511446609 515909450 /nfs/dbraw/zinc/90/94/50/515909450.db2.gz PZDDMPBGCXSHCR-YJBOKZPZSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[N@@H+](C)C1CC1 ZINC000511446609 515909461 /nfs/dbraw/zinc/90/94/61/515909461.db2.gz PZDDMPBGCXSHCR-YJBOKZPZSA-N 1 3 365.468 2.743 20 0 FFADHO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511457040 515912295 /nfs/dbraw/zinc/91/22/95/515912295.db2.gz BYCWCKURFWQFTO-MSOLQXFVSA-N 1 3 365.468 2.696 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000511467847 515915955 /nfs/dbraw/zinc/91/59/55/515915955.db2.gz ZVPSRKMCAHGZSJ-ZWKOTPCHSA-N 1 3 365.468 2.696 20 0 FFADHO CN(CCNC(=O)C1CC[NH+](CC[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000469723723 515936892 /nfs/dbraw/zinc/93/68/92/515936892.db2.gz YGLPRVRGQRKXCC-NRFANRHFSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H]1CCC[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000483144245 515951091 /nfs/dbraw/zinc/95/10/91/515951091.db2.gz BMMKTQFJIXYWEC-KURKYZTESA-N 1 3 364.578 2.917 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000494758423 515951620 /nfs/dbraw/zinc/95/16/20/515951620.db2.gz QMURYMZOFSWNAG-RTWAWAEBSA-N 1 3 352.478 2.737 20 0 FFADHO Cc1ccc2c(c1)CN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC000483150774 515954640 /nfs/dbraw/zinc/95/46/40/515954640.db2.gz PMNWDOQHNGBQPI-UHFFFAOYSA-N 1 3 356.514 2.579 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000487842768 516002631 /nfs/dbraw/zinc/00/26/31/516002631.db2.gz UGWINFUQYFLONR-BZSNNMDCSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000487842768 516002639 /nfs/dbraw/zinc/00/26/39/516002639.db2.gz UGWINFUQYFLONR-BZSNNMDCSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)c1 ZINC000494912301 516007177 /nfs/dbraw/zinc/00/71/77/516007177.db2.gz UDEHXMSTNAYCKN-HXUWFJFHSA-N 1 3 372.557 2.544 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000501189317 516011560 /nfs/dbraw/zinc/01/15/60/516011560.db2.gz URDUQDNIQULEML-RBUKOAKNSA-N 1 3 352.567 2.917 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H](C)[NH+](CC)CC)N1CCc2ccccc2C1 ZINC000501221479 516021748 /nfs/dbraw/zinc/02/17/48/516021748.db2.gz KQGXCBPMGRBFBC-YLJYHZDGSA-N 1 3 360.546 2.853 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487913437 516030492 /nfs/dbraw/zinc/03/04/92/516030492.db2.gz JKXKTTWTKBEGOQ-IGGJEDBVSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487913437 516030511 /nfs/dbraw/zinc/03/05/11/516030511.db2.gz JKXKTTWTKBEGOQ-IGGJEDBVSA-N 1 3 370.541 2.679 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479062325 516041997 /nfs/dbraw/zinc/04/19/97/516041997.db2.gz OVTRPFKQBKVXTQ-MRXNPFEDSA-N 1 3 353.304 2.873 20 0 FFADHO C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN(C2CC2)C1 ZINC000457672103 516058305 /nfs/dbraw/zinc/05/83/05/516058305.db2.gz PRDYSSUPVIVICX-GOSISDBHSA-N 1 3 370.541 2.908 20 0 FFADHO CC1=CCN(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000460220778 516073082 /nfs/dbraw/zinc/07/30/82/516073082.db2.gz JVEBSVJXHAOZDC-QGZVFWFLSA-N 1 3 362.543 2.836 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000511920587 516079085 /nfs/dbraw/zinc/07/90/85/516079085.db2.gz DRQUDZHFKWHSQC-IBGZPJMESA-N 1 3 364.509 2.773 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000511920587 516079096 /nfs/dbraw/zinc/07/90/96/516079096.db2.gz DRQUDZHFKWHSQC-IBGZPJMESA-N 1 3 364.509 2.773 20 0 FFADHO CCN1CCN(c2ccccc2CN2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000470016031 516082782 /nfs/dbraw/zinc/08/27/82/516082782.db2.gz REFSSCJPLKZFRN-UHFFFAOYSA-N 1 3 356.558 2.793 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457735727 516108096 /nfs/dbraw/zinc/10/80/96/516108096.db2.gz LZCFKJFZGCABFG-SBHAEUEKSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000474600472 516114130 /nfs/dbraw/zinc/11/41/30/516114130.db2.gz NUXWJSXGZRVUJD-IRXDYDNUSA-N 1 3 360.477 2.990 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc(F)cc1 ZINC000479228393 516117319 /nfs/dbraw/zinc/11/73/19/516117319.db2.gz QMVXWWKEZRESHQ-WOJBJXKFSA-N 1 3 355.457 2.649 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000479268923 516132350 /nfs/dbraw/zinc/13/23/50/516132350.db2.gz ANLHMSDNBHLNFS-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000479268923 516132359 /nfs/dbraw/zinc/13/23/59/516132359.db2.gz ANLHMSDNBHLNFS-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465422487 516147672 /nfs/dbraw/zinc/14/76/72/516147672.db2.gz JVDWLTUEQQJHDT-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465422487 516147677 /nfs/dbraw/zinc/14/76/77/516147677.db2.gz JVDWLTUEQQJHDT-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457806909 516160543 /nfs/dbraw/zinc/16/05/43/516160543.db2.gz VTKCGZLXCVKYDH-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457806909 516160552 /nfs/dbraw/zinc/16/05/52/516160552.db2.gz VTKCGZLXCVKYDH-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000507430785 516208955 /nfs/dbraw/zinc/20/89/55/516208955.db2.gz SLMDODWBGSBSTE-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000507430785 516208960 /nfs/dbraw/zinc/20/89/60/516208960.db2.gz SLMDODWBGSBSTE-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000465607696 516210040 /nfs/dbraw/zinc/21/00/40/516210040.db2.gz VIHXZXNPHUDZSM-OAQYLSRUSA-N 1 3 368.525 2.828 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000465623638 516212218 /nfs/dbraw/zinc/21/22/18/516212218.db2.gz DRVICIUIOHPXKD-AEFFLSMTSA-N 1 3 364.559 2.916 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000501755140 516215917 /nfs/dbraw/zinc/21/59/17/516215917.db2.gz IWBABFYLHCJPLP-SFHLNBCPSA-N 1 3 372.557 2.928 20 0 FFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000474869990 516220053 /nfs/dbraw/zinc/22/00/53/516220053.db2.gz AHPHQKRWPWQACB-SFTDATJTSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000507494406 516222803 /nfs/dbraw/zinc/22/28/03/516222803.db2.gz JMGNFPNVXYKNTK-IRLDBZIGSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)C[NH+]1CCCCC1 ZINC000465697535 516233394 /nfs/dbraw/zinc/23/33/94/516233394.db2.gz VCRNRWBWKFNECQ-SFHVURJKSA-N 1 3 372.557 2.507 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512314662 516235338 /nfs/dbraw/zinc/23/53/38/516235338.db2.gz OBFUWLJARDYNMO-AEFFLSMTSA-N 1 3 367.484 2.990 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000465761781 516249884 /nfs/dbraw/zinc/24/98/84/516249884.db2.gz SFGCAFUSIROZTP-YZGWKJHDSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488523931 516250138 /nfs/dbraw/zinc/25/01/38/516250138.db2.gz MSRTXLKTPPMIFW-ZNLUXHQJSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488523931 516250148 /nfs/dbraw/zinc/25/01/48/516250148.db2.gz MSRTXLKTPPMIFW-ZNLUXHQJSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000465762784 516251096 /nfs/dbraw/zinc/25/10/96/516251096.db2.gz USTZUFTXOWLDLY-PIKOESSRSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000465762784 516251103 /nfs/dbraw/zinc/25/11/03/516251103.db2.gz USTZUFTXOWLDLY-PIKOESSRSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCC(C)CC1 ZINC000488540949 516253119 /nfs/dbraw/zinc/25/31/19/516253119.db2.gz WNBLBVZAGZNKKN-ZWKOTPCHSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCC(C)CC1 ZINC000488540949 516253128 /nfs/dbraw/zinc/25/31/28/516253128.db2.gz WNBLBVZAGZNKKN-ZWKOTPCHSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CC[N@@H+]1C ZINC000465802332 516260099 /nfs/dbraw/zinc/26/00/99/516260099.db2.gz BPDQVPMZDOVRCA-DOTOQJQBSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CC[N@H+]1C ZINC000465802332 516260107 /nfs/dbraw/zinc/26/01/07/516260107.db2.gz BPDQVPMZDOVRCA-DOTOQJQBSA-N 1 3 364.559 2.742 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)CC1 ZINC000465813783 516265198 /nfs/dbraw/zinc/26/51/98/516265198.db2.gz OMMVDGWGQWMZGH-YQVWRLOYSA-N 1 3 362.562 2.813 20 0 FFADHO CC[N@H+](CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1CC1 ZINC000465843510 516270756 /nfs/dbraw/zinc/27/07/56/516270756.db2.gz UHIBJRQNXMSCMA-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1CC1 ZINC000465843510 516270760 /nfs/dbraw/zinc/27/07/60/516270760.db2.gz UHIBJRQNXMSCMA-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465887897 516280918 /nfs/dbraw/zinc/28/09/18/516280918.db2.gz BXXYWFHZCDCFGF-GOSISDBHSA-N 1 3 372.557 2.505 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465887897 516280921 /nfs/dbraw/zinc/28/09/21/516280921.db2.gz BXXYWFHZCDCFGF-GOSISDBHSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000502020841 516286091 /nfs/dbraw/zinc/28/60/91/516286091.db2.gz VXSIFJDVZYQOKA-FXAWDEMLSA-N 1 3 358.530 2.988 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000502020841 516286097 /nfs/dbraw/zinc/28/60/97/516286097.db2.gz VXSIFJDVZYQOKA-FXAWDEMLSA-N 1 3 358.530 2.988 20 0 FFADHO Cc1sccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000507748301 516293530 /nfs/dbraw/zinc/29/35/30/516293530.db2.gz OJUUWCSYRDQSFJ-UHFFFAOYSA-N 1 3 351.560 2.973 20 0 FFADHO CSC1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C)CC1 ZINC000460976513 516295052 /nfs/dbraw/zinc/29/50/52/516295052.db2.gz DGBJLOXVPOHYJK-MRXNPFEDSA-N 1 3 353.576 2.585 20 0 FFADHO CSC1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN(C)CC1 ZINC000460976513 516295055 /nfs/dbraw/zinc/29/50/55/516295055.db2.gz DGBJLOXVPOHYJK-MRXNPFEDSA-N 1 3 353.576 2.585 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000502131158 516308043 /nfs/dbraw/zinc/30/80/43/516308043.db2.gz WKDKWRMCRALJJV-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000512666817 516319729 /nfs/dbraw/zinc/31/97/29/516319729.db2.gz MPHHCDUFGZTXHA-BHDDXSALSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000512666817 516319732 /nfs/dbraw/zinc/31/97/32/516319732.db2.gz MPHHCDUFGZTXHA-BHDDXSALSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000512666817 516319735 /nfs/dbraw/zinc/31/97/35/516319735.db2.gz MPHHCDUFGZTXHA-BHDDXSALSA-N 1 3 371.569 2.988 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC2(C)CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000561179333 516430427 /nfs/dbraw/zinc/43/04/27/516430427.db2.gz XVSWYCFQOVFDEG-GDBMZVCRSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000540076318 516430735 /nfs/dbraw/zinc/43/07/35/516430735.db2.gz YDCNFQLZWCISQN-HDICACEKSA-N 1 3 373.545 2.860 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000540076318 516430742 /nfs/dbraw/zinc/43/07/42/516430742.db2.gz YDCNFQLZWCISQN-HDICACEKSA-N 1 3 373.545 2.860 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000523337911 516441174 /nfs/dbraw/zinc/44/11/74/516441174.db2.gz AMJMFLVHBDUDJP-GGPKGHCWSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000523337911 516441179 /nfs/dbraw/zinc/44/11/79/516441179.db2.gz AMJMFLVHBDUDJP-GGPKGHCWSA-N 1 3 358.530 2.530 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523397446 516460895 /nfs/dbraw/zinc/46/08/95/516460895.db2.gz LAGIPMQXFFBRMD-SFTDATJTSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000557854911 516472452 /nfs/dbraw/zinc/47/24/52/516472452.db2.gz JJADPZSQXYUQHI-QZTJIDSGSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1CCC[C@@H](C)C1 ZINC000557854911 516472460 /nfs/dbraw/zinc/47/24/60/516472460.db2.gz JJADPZSQXYUQHI-QZTJIDSGSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C[C@H](C)O1 ZINC000531535719 516513809 /nfs/dbraw/zinc/51/38/09/516513809.db2.gz XSQNLOFJKSPWTK-HDICACEKSA-N 1 3 367.578 2.893 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000523601130 516516593 /nfs/dbraw/zinc/51/65/93/516516593.db2.gz WIIQBPMWJHKIJQ-NRFANRHFSA-N 1 3 370.541 2.838 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)Cc1ccco1 ZINC000558033309 516563268 /nfs/dbraw/zinc/56/32/68/516563268.db2.gz WCLZCOGYYWCXGA-GOSISDBHSA-N 1 3 364.534 2.863 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)Cc1ccco1 ZINC000558033309 516563278 /nfs/dbraw/zinc/56/32/78/516563278.db2.gz WCLZCOGYYWCXGA-GOSISDBHSA-N 1 3 364.534 2.863 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000554881839 516679353 /nfs/dbraw/zinc/67/93/53/516679353.db2.gz FKQVHMMWWVBNSN-HOTGVXAUSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c(OC)c1 ZINC000554881839 516679363 /nfs/dbraw/zinc/67/93/63/516679363.db2.gz FKQVHMMWWVBNSN-HOTGVXAUSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c(OC)c1 ZINC000554881839 516679372 /nfs/dbraw/zinc/67/93/72/516679372.db2.gz FKQVHMMWWVBNSN-HOTGVXAUSA-N 1 3 363.502 2.741 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@H]1c1ccccc1 ZINC000536233658 516691582 /nfs/dbraw/zinc/69/15/82/516691582.db2.gz OFTBERQSVLGZET-CEWLAPEOSA-N 1 3 370.541 2.805 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@H]1c1ccccc1 ZINC000536233658 516691592 /nfs/dbraw/zinc/69/15/92/516691592.db2.gz OFTBERQSVLGZET-CEWLAPEOSA-N 1 3 370.541 2.805 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccco1 ZINC000558368496 516706666 /nfs/dbraw/zinc/70/66/66/516706666.db2.gz BPAMGEMTLDQXAL-HOTGVXAUSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000558377579 516711376 /nfs/dbraw/zinc/71/13/76/516711376.db2.gz UUYNFYNJHUUKRI-WBVHZDCISA-N 1 3 350.507 2.881 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000524515189 516741389 /nfs/dbraw/zinc/74/13/89/516741389.db2.gz KIJRYJWKLHSVIY-UXHICEINSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000524515189 516741397 /nfs/dbraw/zinc/74/13/97/516741397.db2.gz KIJRYJWKLHSVIY-UXHICEINSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000524515190 516741828 /nfs/dbraw/zinc/74/18/28/516741828.db2.gz KIJRYJWKLHSVIY-VQTJNVASSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000524515190 516741835 /nfs/dbraw/zinc/74/18/35/516741835.db2.gz KIJRYJWKLHSVIY-VQTJNVASSA-N 1 3 358.530 2.695 20 0 FFADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccnc4ccccc43)c2)C1 ZINC000561881415 516814525 /nfs/dbraw/zinc/81/45/25/516814525.db2.gz GLWGXGNQQBYIFC-LJQANCHMSA-N 1 3 374.488 2.966 20 0 FFADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3ccnc4ccccc43)c2)C1 ZINC000561881415 516814530 /nfs/dbraw/zinc/81/45/30/516814530.db2.gz GLWGXGNQQBYIFC-LJQANCHMSA-N 1 3 374.488 2.966 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000514058833 516843579 /nfs/dbraw/zinc/84/35/79/516843579.db2.gz DHJOCKAYPHUVNQ-BTHPGYMESA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000514058833 516843585 /nfs/dbraw/zinc/84/35/85/516843585.db2.gz DHJOCKAYPHUVNQ-BTHPGYMESA-N 1 3 356.514 2.748 20 0 FFADHO Cc1cc(NC(=O)NC[C@H]2CCN2C2CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000529010058 516860478 /nfs/dbraw/zinc/86/04/78/516860478.db2.gz JWRHCFGCGIXMJU-GOSISDBHSA-N 1 3 374.533 2.597 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000514189517 516896132 /nfs/dbraw/zinc/89/61/32/516896132.db2.gz ILOVSJZUWBTLCD-UYAOXDASSA-N 1 3 360.546 2.579 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CCN(C3CCCC3)CC2)CCCCCC1 ZINC000514571572 516942311 /nfs/dbraw/zinc/94/23/11/516942311.db2.gz VOTJTKZJVMCBJT-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H](Sc1ccccc1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551916604 516955000 /nfs/dbraw/zinc/95/50/00/516955000.db2.gz OYOVSZYCQKBUSL-CQSZACIVSA-N 1 3 357.951 2.772 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000514662085 516987875 /nfs/dbraw/zinc/98/78/75/516987875.db2.gz FQNWSAGUKCKVNO-NRFANRHFSA-N 1 3 358.530 2.648 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529317171 517075162 /nfs/dbraw/zinc/07/51/62/517075162.db2.gz ZJHOCQJNIQJTDC-NEWSRXKRSA-N 1 3 356.514 2.623 20 0 FFADHO CN1CC[C@@](O)(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000545162559 517079746 /nfs/dbraw/zinc/07/97/46/517079746.db2.gz KPKFDUKVQKBMSC-OAQYLSRUSA-N 1 3 374.529 2.639 20 0 FFADHO CN1CC[C@@](O)(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000545162559 517079753 /nfs/dbraw/zinc/07/97/53/517079753.db2.gz KPKFDUKVQKBMSC-OAQYLSRUSA-N 1 3 374.529 2.639 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000529353656 517097499 /nfs/dbraw/zinc/09/74/99/517097499.db2.gz ZCNISSSHKSRLJD-CTNGQTDRSA-N 1 3 368.525 2.579 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000532795124 517147738 /nfs/dbraw/zinc/14/77/38/517147738.db2.gz QYKJDSTUUGAGDE-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000532795124 517147750 /nfs/dbraw/zinc/14/77/50/517147750.db2.gz QYKJDSTUUGAGDE-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO O=C1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000552263707 517167714 /nfs/dbraw/zinc/16/77/14/517167714.db2.gz MYJVABDAJGWELM-MXEMCNAFSA-N 1 3 355.526 2.936 20 0 FFADHO CN1CCC[C@H]1CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000532860131 517172512 /nfs/dbraw/zinc/17/25/12/517172512.db2.gz KMWCSFVFEXKELQ-SFHVURJKSA-N 1 3 360.502 2.767 20 0 FFADHO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000537406924 517174395 /nfs/dbraw/zinc/17/43/95/517174395.db2.gz KWKAVTQJUNYSKG-NHCUHLMSSA-N 1 3 373.541 2.805 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000519773065 517175219 /nfs/dbraw/zinc/17/52/19/517175219.db2.gz UJKDGHVZKRDIIJ-LQWHRVPQSA-N 1 3 355.526 2.986 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000519773065 517175229 /nfs/dbraw/zinc/17/52/29/517175229.db2.gz UJKDGHVZKRDIIJ-LQWHRVPQSA-N 1 3 355.526 2.986 20 0 FFADHO Cc1nc2c(s1)[C@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CCC2 ZINC000537443504 517189981 /nfs/dbraw/zinc/18/99/81/517189981.db2.gz AZEZVDDHSKSOBS-CVEARBPZSA-N 1 3 352.548 2.511 20 0 FFADHO COc1cc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1F ZINC000537445110 517190319 /nfs/dbraw/zinc/19/03/19/517190319.db2.gz LBUKJSWGPFUCNS-YOEHRIQHSA-N 1 3 353.482 2.577 20 0 FFADHO CN(CCN1CC[NH2+]CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000515060615 517194422 /nfs/dbraw/zinc/19/44/22/517194422.db2.gz VCHQTEZXXUDTHP-OAHLLOKOSA-N 1 3 370.360 2.823 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000515140342 517226654 /nfs/dbraw/zinc/22/66/54/517226654.db2.gz PKASKKBHZUQICC-INIZCTEOSA-N 1 3 366.893 2.672 20 0 FFADHO O=C(CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Nc1ccccn1 ZINC000541881798 517272013 /nfs/dbraw/zinc/27/20/13/517272013.db2.gz ZJBWHSFNSXKHLK-SLFFLAALSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Nc1ccccn1 ZINC000541881798 517272026 /nfs/dbraw/zinc/27/20/26/517272026.db2.gz ZJBWHSFNSXKHLK-SLFFLAALSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccccn1 ZINC000541881798 517272039 /nfs/dbraw/zinc/27/20/39/517272039.db2.gz ZJBWHSFNSXKHLK-SLFFLAALSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529719068 517307543 /nfs/dbraw/zinc/30/75/43/517307543.db2.gz LGZRETJHRGVMDG-NRFANRHFSA-N 1 3 355.526 2.958 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529719068 517307555 /nfs/dbraw/zinc/30/75/55/517307555.db2.gz LGZRETJHRGVMDG-NRFANRHFSA-N 1 3 355.526 2.958 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000526186864 517367417 /nfs/dbraw/zinc/36/74/17/517367417.db2.gz JHRBIBFOVMWYQM-HNNXBMFYSA-N 1 3 366.472 2.632 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000542137519 517401226 /nfs/dbraw/zinc/40/12/26/517401226.db2.gz QHBSXGJDRUAKOR-HOTGVXAUSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000542137519 517401233 /nfs/dbraw/zinc/40/12/33/517401233.db2.gz QHBSXGJDRUAKOR-HOTGVXAUSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000562803292 517416289 /nfs/dbraw/zinc/41/62/89/517416289.db2.gz SLCDSPBHZSESPL-CGBFIWBNSA-N 1 3 358.530 2.886 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562806185 517420041 /nfs/dbraw/zinc/42/00/41/517420041.db2.gz PWMBPCFTYBWKAI-IRLDBZIGSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)n(C2CCN(C)CC2)n1 ZINC000515625124 517427373 /nfs/dbraw/zinc/42/73/73/517427373.db2.gz OAUIAQYSXNQDKB-FUHWJXTLSA-N 1 3 374.533 2.549 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000520574911 517442388 /nfs/dbraw/zinc/44/23/88/517442388.db2.gz UKEGRIBLRFMPPN-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000533458409 517473198 /nfs/dbraw/zinc/47/31/98/517473198.db2.gz BDQMHBUKZIAVPJ-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000533458409 517473205 /nfs/dbraw/zinc/47/32/05/517473205.db2.gz BDQMHBUKZIAVPJ-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO [NH3+]Cc1cc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc(C(F)(F)F)c1 ZINC000516060875 517553263 /nfs/dbraw/zinc/55/32/63/517553263.db2.gz LDBDFLVJBDWTSN-MRXNPFEDSA-N 1 3 371.403 2.746 20 0 FFADHO CC[C@@H](CC(F)(F)F)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000546175969 517582261 /nfs/dbraw/zinc/58/22/61/517582261.db2.gz BEUFPYWBIVNNLP-ZDUSSCGKSA-N 1 3 364.456 2.575 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1=CCN(C)CC1 ZINC000563013988 517583168 /nfs/dbraw/zinc/58/31/68/517583168.db2.gz OECSOHDCWSHNGN-WFASDCNBSA-N 1 3 359.297 2.973 20 0 FFADHO CN1CCN(CCCC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000560126912 517594799 /nfs/dbraw/zinc/59/47/99/517594799.db2.gz RPBADARTOJRXAL-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO Cn1cncc1CCCN1CCC[C@H]([N@H+](C)CCCc2cncn2C)CC1 ZINC000516191086 517610464 /nfs/dbraw/zinc/61/04/64/517610464.db2.gz DIOWJWCLCDUVED-IBGZPJMESA-N 1 3 372.561 2.505 20 0 FFADHO Cn1cncc1CCCN1CCC[C@H]([N@@H+](C)CCCc2cncn2C)CC1 ZINC000516191086 517610469 /nfs/dbraw/zinc/61/04/69/517610469.db2.gz DIOWJWCLCDUVED-IBGZPJMESA-N 1 3 372.561 2.505 20 0 FFADHO COc1cncc(/C=C/CCN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000563061612 517624229 /nfs/dbraw/zinc/62/42/29/517624229.db2.gz OBUXQNFCKWAJCN-GQCTYLIASA-N 1 3 372.557 2.984 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000556748679 517627018 /nfs/dbraw/zinc/62/70/18/517627018.db2.gz SABNLXKLVNZORI-KRWDZBQOSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516244174 517632394 /nfs/dbraw/zinc/63/23/94/517632394.db2.gz AUYVRRAKWPBLFG-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OC(F)F ZINC000530249359 517655810 /nfs/dbraw/zinc/65/58/10/517655810.db2.gz WPLXDXNLPQDJRK-MRXNPFEDSA-N 1 3 370.440 2.887 20 0 FFADHO COc1ccc(Cn2nc(C)c(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c2C)cc1 ZINC000563136091 517685797 /nfs/dbraw/zinc/68/57/97/517685797.db2.gz ZJAWBIFUOLZOLJ-BGYRXZFFSA-N 1 3 368.525 2.988 20 0 FFADHO CC[NH+](CC)CCOCCNCc1c[nH]nc1-c1c(F)cccc1F ZINC000542691066 517688299 /nfs/dbraw/zinc/68/82/99/517688299.db2.gz MMDJXUWZPOLEFX-UHFFFAOYSA-N 1 3 352.429 2.803 20 0 FFADHO COCCN1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000521320519 517691203 /nfs/dbraw/zinc/69/12/03/517691203.db2.gz YSTIFQKOCASYSR-OAQYLSRUSA-N 1 3 359.558 2.989 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563149487 517693357 /nfs/dbraw/zinc/69/33/57/517693357.db2.gz FUSHEHQDVROYTQ-FQEVSTJZSA-N 1 3 354.502 2.586 20 0 FFADHO c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@@]4(C3)CCCNC4)n2)cc1 ZINC000563149487 517693367 /nfs/dbraw/zinc/69/33/67/517693367.db2.gz FUSHEHQDVROYTQ-FQEVSTJZSA-N 1 3 354.502 2.586 20 0 FFADHO c1ccc(-c2nnn(CCCCC[N@H+]3CC[C@@]4(C3)CCCNC4)n2)cc1 ZINC000563149487 517693379 /nfs/dbraw/zinc/69/33/79/517693379.db2.gz FUSHEHQDVROYTQ-FQEVSTJZSA-N 1 3 354.502 2.586 20 0 FFADHO O=C(NCC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000516554955 517740975 /nfs/dbraw/zinc/74/09/75/517740975.db2.gz FMIPUOXGVSPKHO-QFIPXVFZSA-N 1 3 370.541 2.684 20 0 FFADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000530412732 517760897 /nfs/dbraw/zinc/76/08/97/517760897.db2.gz VLRZOFZGKNGJES-ICSRJNTNSA-N 1 3 354.498 2.544 20 0 FFADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000530412732 517760903 /nfs/dbraw/zinc/76/09/03/517760903.db2.gz VLRZOFZGKNGJES-ICSRJNTNSA-N 1 3 354.498 2.544 20 0 FFADHO CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000521540494 517769686 /nfs/dbraw/zinc/76/96/86/517769686.db2.gz HPTPLOZKDMHBDO-GOSISDBHSA-N 1 3 361.505 2.980 20 0 FFADHO Cn1nccc1-c1ccccc1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000560483280 517838405 /nfs/dbraw/zinc/83/84/05/517838405.db2.gz BDMHYDTUHNJWNZ-RTWAWAEBSA-N 1 3 354.498 2.555 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(F)cc3)CC2)CC1 ZINC000563369667 517855116 /nfs/dbraw/zinc/85/51/16/517855116.db2.gz IHILZYBVGMJOMB-UHFFFAOYSA-N 1 3 361.505 2.980 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2OCCN(C)C)CC1 ZINC000521801697 517855792 /nfs/dbraw/zinc/85/57/92/517855792.db2.gz LXXTXSABIIHBJL-UHFFFAOYSA-N 1 3 361.530 2.821 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000516857058 517875058 /nfs/dbraw/zinc/87/50/58/517875058.db2.gz MXWKYAQTBISCSD-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000521914074 517897689 /nfs/dbraw/zinc/89/76/89/517897689.db2.gz IXWYVSMSAHMKCN-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cccc(N2CCCC2=O)c1 ZINC000539057727 517897867 /nfs/dbraw/zinc/89/78/67/517897867.db2.gz HHLXBPHJQPWGFV-NDXORKPFSA-N 1 3 371.525 2.842 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000553795637 517910872 /nfs/dbraw/zinc/91/08/72/517910872.db2.gz DCINPLWDJBWHAK-RXVVDRJESA-N 1 3 359.489 2.592 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000553795637 517910877 /nfs/dbraw/zinc/91/08/77/517910877.db2.gz DCINPLWDJBWHAK-RXVVDRJESA-N 1 3 359.489 2.592 20 0 FFADHO Cc1ncc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1-c1ccccc1 ZINC000563460805 517916520 /nfs/dbraw/zinc/91/65/20/517916520.db2.gz TXASPPVWDVIVLU-RTWAWAEBSA-N 1 3 354.498 2.899 20 0 FFADHO C[NH2+][C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C1 ZINC000563519574 517955584 /nfs/dbraw/zinc/95/55/84/517955584.db2.gz KRWXEWIXVGFKQX-AWEZNQCLSA-N 1 3 366.893 2.639 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000522079231 517979316 /nfs/dbraw/zinc/97/93/16/517979316.db2.gz QBISNVNHZASFJL-CTNGQTDRSA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000522079231 517979324 /nfs/dbraw/zinc/97/93/24/517979324.db2.gz QBISNVNHZASFJL-CTNGQTDRSA-N 1 3 370.541 2.701 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000563561069 517985731 /nfs/dbraw/zinc/98/57/31/517985731.db2.gz NXDBXXLSZMEQBX-NVXWUHKLSA-N 1 3 364.559 2.729 20 0 FFADHO Cc1ccc(-c2cnc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)o2)cc1 ZINC000530880126 518025984 /nfs/dbraw/zinc/02/59/84/518025984.db2.gz UJBCJTJXPYHSMY-UHFFFAOYSA-N 1 3 372.513 2.534 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1nc2ccccc2s1 ZINC000530880544 518028885 /nfs/dbraw/zinc/02/88/85/518028885.db2.gz WYUBEWDJHUMYTJ-UHFFFAOYSA-N 1 3 362.543 2.571 20 0 FFADHO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000528015953 518044022 /nfs/dbraw/zinc/04/40/22/518044022.db2.gz ZNZFZFOSQLECCT-QGZVFWFLSA-N 1 3 361.530 2.926 20 0 FFADHO C[C@@H](CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCCCC1 ZINC000543383108 518059114 /nfs/dbraw/zinc/05/91/14/518059114.db2.gz QOBRMWQULXLOBV-ICSRJNTNSA-N 1 3 358.530 2.674 20 0 FFADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc2)CC1 ZINC000543431242 518086951 /nfs/dbraw/zinc/08/69/51/518086951.db2.gz ARFFSSXVZMXPHP-GOSISDBHSA-N 1 3 374.573 2.607 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000547367776 518105543 /nfs/dbraw/zinc/10/55/43/518105543.db2.gz KLLCHVOJCNHKDD-DLBZAZTESA-N 1 3 357.498 2.773 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528148992 518119185 /nfs/dbraw/zinc/11/91/85/518119185.db2.gz JUYJJKMROZMYSY-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528148992 518119193 /nfs/dbraw/zinc/11/91/93/518119193.db2.gz JUYJJKMROZMYSY-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)Cc1ccccc1 ZINC000535261424 518171143 /nfs/dbraw/zinc/17/11/43/518171143.db2.gz KOJUXKUXQVZBFI-RBUKOAKNSA-N 1 3 362.562 2.825 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000539848988 518171946 /nfs/dbraw/zinc/17/19/46/518171946.db2.gz GVYNBGWUSUFGJI-IBGZPJMESA-N 1 3 357.502 2.508 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000563882623 518212613 /nfs/dbraw/zinc/21/26/13/518212613.db2.gz CGVRKRGFLBWVBS-ZCNNSNEGSA-N 1 3 373.566 2.595 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000563882623 518212620 /nfs/dbraw/zinc/21/26/20/518212620.db2.gz CGVRKRGFLBWVBS-ZCNNSNEGSA-N 1 3 373.566 2.595 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000578461419 518221925 /nfs/dbraw/zinc/22/19/25/518221925.db2.gz HMXOAJSDHSTAJS-RLLQIKCJSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000572586327 518261658 /nfs/dbraw/zinc/26/16/58/518261658.db2.gz KBKJUUYKMQXRFG-YSIASYRMSA-N 1 3 372.557 2.974 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000584281073 518261720 /nfs/dbraw/zinc/26/17/20/518261720.db2.gz BQVRYRLGAPWCHQ-OALUTQOASA-N 1 3 358.530 2.511 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000564063066 518290607 /nfs/dbraw/zinc/29/06/07/518290607.db2.gz SQFNZNPKYSXEMC-PZJWPPBQSA-N 1 3 358.530 2.855 20 0 FFADHO Cc1cc(Br)c(C[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000581470926 518300965 /nfs/dbraw/zinc/30/09/65/518300965.db2.gz ILGVMQFPDXBFGD-UHFFFAOYSA-N 1 3 360.365 2.936 20 0 FFADHO NC(C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000575920124 518342601 /nfs/dbraw/zinc/34/26/01/518342601.db2.gz LHKDVDRDRIDCIS-KRWDZBQOSA-N 1 3 371.447 2.727 20 0 FFADHO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000575949079 518356116 /nfs/dbraw/zinc/35/61/16/518356116.db2.gz LPZJVTJPTVRRJN-PMACEKPBSA-N 1 3 373.589 2.986 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1cccs1 ZINC000575980982 518371137 /nfs/dbraw/zinc/37/11/37/518371137.db2.gz PVBABGWJGZORJS-KCYZZUKISA-N 1 3 350.532 2.700 20 0 FFADHO COc1ccccc1C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000564304470 518389452 /nfs/dbraw/zinc/38/94/52/518389452.db2.gz MLYRZVVGDDRULU-FQEVSTJZSA-N 1 3 373.541 2.595 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000578850410 518402531 /nfs/dbraw/zinc/40/25/31/518402531.db2.gz VCWUXXDEEJILIL-FQEVSTJZSA-N 1 3 358.530 2.635 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000578850410 518402537 /nfs/dbraw/zinc/40/25/37/518402537.db2.gz VCWUXXDEEJILIL-FQEVSTJZSA-N 1 3 358.530 2.635 20 0 FFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000576054187 518407002 /nfs/dbraw/zinc/40/70/02/518407002.db2.gz SYOARQIRRNUQTA-WMZOPIPTSA-N 1 3 350.551 2.526 20 0 FFADHO CSC1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CCN(C)CC1 ZINC000572928066 518422624 /nfs/dbraw/zinc/42/26/24/518422624.db2.gz GNSTZKLHHBIHRV-KRWDZBQOSA-N 1 3 370.607 2.624 20 0 FFADHO CSC1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CCN(C)CC1 ZINC000572928066 518422626 /nfs/dbraw/zinc/42/26/26/518422626.db2.gz GNSTZKLHHBIHRV-KRWDZBQOSA-N 1 3 370.607 2.624 20 0 FFADHO CN(C)[C@H](CNC(=O)c1conc1C(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000567289097 518448486 /nfs/dbraw/zinc/44/84/86/518448486.db2.gz FTZZYMOSSRVJKB-CQSZACIVSA-N 1 3 350.850 2.555 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000564452257 518457602 /nfs/dbraw/zinc/45/76/02/518457602.db2.gz BQKBMNSIYSMGTN-ZQIUZPCESA-N 1 3 357.420 2.683 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)cc2)CC1 ZINC000567382056 518496750 /nfs/dbraw/zinc/49/67/50/518496750.db2.gz XOEFBCKZANOUPV-IBGZPJMESA-N 1 3 360.546 2.787 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)CC1 ZINC000581960493 518520513 /nfs/dbraw/zinc/52/05/13/518520513.db2.gz AGGAWXZROUIGKG-UHFFFAOYSA-N 1 3 372.513 2.780 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000573228929 518567017 /nfs/dbraw/zinc/56/70/17/518567017.db2.gz NJRWLMDNFMILAR-OAQYLSRUSA-N 1 3 351.494 2.795 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000582118717 518597916 /nfs/dbraw/zinc/59/79/16/518597916.db2.gz IAZMWAILTASZOG-MSOLQXFVSA-N 1 3 355.507 2.888 20 0 FFADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCN(CC2CCC2)CC1 ZINC000570418545 518598792 /nfs/dbraw/zinc/59/87/92/518598792.db2.gz FMNNKQKSKWQSGV-IBGZPJMESA-N 1 3 365.587 2.538 20 0 FFADHO COc1ccc2c(c1)OC[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000564793547 518618489 /nfs/dbraw/zinc/61/84/89/518618489.db2.gz XOEAOKDRTJVMER-GTCCEBARSA-N 1 3 366.461 2.844 20 0 FFADHO C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000573357247 518628897 /nfs/dbraw/zinc/62/88/97/518628897.db2.gz NJGFICYTGHWBAN-ZBEGNZNMSA-N 1 3 359.451 2.777 20 0 FFADHO C[NH+](C)CCc1ccc(CNC[C@H](O)COc2ccccc2Cl)cc1 ZINC000573358230 518628911 /nfs/dbraw/zinc/62/89/11/518628911.db2.gz GTMMXJRDLBJLBF-SFHVURJKSA-N 1 3 362.901 2.974 20 0 FFADHO Cc1ccc(-c2nc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)co2)cc1 ZINC000564824484 518634949 /nfs/dbraw/zinc/63/49/49/518634949.db2.gz PMKLRLFRDRUPBP-VAMGGRTRSA-N 1 3 355.482 2.939 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCc3ccccc3[C@@H]2CN)c1 ZINC000570512984 518644713 /nfs/dbraw/zinc/64/47/13/518644713.db2.gz VVGMMWMTJXBKRY-NRFANRHFSA-N 1 3 366.509 2.906 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCc3ccccc3[C@@H]2CN)c1 ZINC000570512984 518644716 /nfs/dbraw/zinc/64/47/16/518644716.db2.gz VVGMMWMTJXBKRY-NRFANRHFSA-N 1 3 366.509 2.906 20 0 FFADHO CCN(CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000587188232 518677967 /nfs/dbraw/zinc/67/79/67/518677967.db2.gz KGEGXCLREFUJFA-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2ncc(C)cc2C)CC1 ZINC000567778877 518707467 /nfs/dbraw/zinc/70/74/67/518707467.db2.gz RGADOOFUEASUNU-UHFFFAOYSA-N 1 3 374.573 2.801 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)C1 ZINC000582348212 518708989 /nfs/dbraw/zinc/70/89/89/518708989.db2.gz SSKWWTFKKBZCDT-LEWJYISDSA-N 1 3 372.488 2.789 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567820380 518729164 /nfs/dbraw/zinc/72/91/64/518729164.db2.gz JPTKKWBTXXSQNR-FXAWDEMLSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567820380 518729169 /nfs/dbraw/zinc/72/91/69/518729169.db2.gz JPTKKWBTXXSQNR-FXAWDEMLSA-N 1 3 358.530 2.766 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1CNCc2ccccc21 ZINC000579590331 518754103 /nfs/dbraw/zinc/75/41/03/518754103.db2.gz YMXQCSGVVOFHIA-SLYNCCJLSA-N 1 3 367.468 2.522 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000579592770 518756143 /nfs/dbraw/zinc/75/61/43/518756143.db2.gz GVRBAWUMKVGTIY-ZVDOUQERSA-N 1 3 371.525 2.680 20 0 FFADHO Clc1ccc(O[C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)cc1Cl ZINC000567891226 518769767 /nfs/dbraw/zinc/76/97/67/518769767.db2.gz PMXOSGSWMWIOQF-OAHLLOKOSA-N 1 3 358.313 2.742 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)[C@H]1c1cccs1 ZINC000582476187 518771520 /nfs/dbraw/zinc/77/15/20/518771520.db2.gz MSUBKUNNEAWJCI-NUJGCVRESA-N 1 3 364.559 2.901 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CCC[N@@H+](CC(C)C)C3)c2cc1C ZINC000582542290 518805365 /nfs/dbraw/zinc/80/53/65/518805365.db2.gz QNCXGSLIOOZOQC-VQTJNVASSA-N 1 3 372.557 2.972 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CCC[N@H+](CC(C)C)C3)c2cc1C ZINC000582542290 518805368 /nfs/dbraw/zinc/80/53/68/518805368.db2.gz QNCXGSLIOOZOQC-VQTJNVASSA-N 1 3 372.557 2.972 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@@H]3CCCN(CC(C)C)C3)c2cc1C ZINC000582542290 518805372 /nfs/dbraw/zinc/80/53/72/518805372.db2.gz QNCXGSLIOOZOQC-VQTJNVASSA-N 1 3 372.557 2.972 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccccc1OC1CCCC1 ZINC000582590619 518826455 /nfs/dbraw/zinc/82/64/55/518826455.db2.gz OFEPYWSHTDYFCU-UHFFFAOYSA-N 1 3 361.530 2.502 20 0 FFADHO NC[C@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000582595468 518829465 /nfs/dbraw/zinc/82/94/65/518829465.db2.gz DYWXCTYILWRVQL-DBVUQKKJSA-N 1 3 373.447 2.517 20 0 FFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000573793439 518837675 /nfs/dbraw/zinc/83/76/75/518837675.db2.gz RGTNCCSFFAFCKW-ZKYUUJBMSA-N 1 3 352.482 2.532 20 0 FFADHO Cc1cccc(N2CCN(CCCNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)c1 ZINC000588903223 518864713 /nfs/dbraw/zinc/86/47/13/518864713.db2.gz RWEWPHAHSFPTJF-UHFFFAOYSA-N 1 3 374.573 2.601 20 0 FFADHO Cc1cccc(N2CCN(CCCNC(=O)C[N@H+](C)CC(C)(C)C)CC2)c1 ZINC000588903223 518864718 /nfs/dbraw/zinc/86/47/18/518864718.db2.gz RWEWPHAHSFPTJF-UHFFFAOYSA-N 1 3 374.573 2.601 20 0 FFADHO C[C@@H](CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000579845211 518883332 /nfs/dbraw/zinc/88/33/32/518883332.db2.gz XTSNUAFICRVINP-GHTZIAJQSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)N1CCc3[nH]c4ccccc4c3C1)CC[NH2+]CC2 ZINC000565298756 518886607 /nfs/dbraw/zinc/88/66/07/518886607.db2.gz QTMITQHCMJAYLU-MRXNPFEDSA-N 1 3 366.509 2.517 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000565352749 518912748 /nfs/dbraw/zinc/91/27/48/518912748.db2.gz VZXIVXLVYPBYPJ-BQFCYCMXSA-N 1 3 364.559 2.777 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cnc(C)s3)CC2)CC1 ZINC000571071340 518913025 /nfs/dbraw/zinc/91/30/25/518913025.db2.gz INTRNWCOOFJSPR-UHFFFAOYSA-N 1 3 364.559 2.606 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)N1CCc2ccccc2C1 ZINC000565487815 518979916 /nfs/dbraw/zinc/97/99/16/518979916.db2.gz YUEQRJNPACKPDQ-FQEVSTJZSA-N 1 3 358.530 2.594 20 0 FFADHO COc1cccc2c1CCC[C@@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000568351111 518993379 /nfs/dbraw/zinc/99/33/79/518993379.db2.gz PXFVUCNXWSMUPK-IBGZPJMESA-N 1 3 359.514 2.605 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000565529893 519003354 /nfs/dbraw/zinc/00/33/54/519003354.db2.gz ZGQDMTBQWCZFRM-TZIWHRDSSA-N 1 3 358.530 2.821 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000574261656 519068349 /nfs/dbraw/zinc/06/83/49/519068349.db2.gz MYWCUUWZAMRTIM-UZLBHIALSA-N 1 3 358.530 2.765 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000574261656 519068356 /nfs/dbraw/zinc/06/83/56/519068356.db2.gz MYWCUUWZAMRTIM-UZLBHIALSA-N 1 3 358.530 2.765 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(SC)n3)CC2)CC1 ZINC000565667042 519071418 /nfs/dbraw/zinc/07/14/18/519071418.db2.gz PUPWXWPJIUTBOC-UHFFFAOYSA-N 1 3 362.543 2.938 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000580293716 519102762 /nfs/dbraw/zinc/10/27/62/519102762.db2.gz LEEUZQPNSNJDAM-UHFFFAOYSA-N 1 3 361.534 2.718 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cccnc2OC)CC1 ZINC000574369371 519119476 /nfs/dbraw/zinc/11/94/76/519119476.db2.gz HGHPIFWEDGXDNL-UHFFFAOYSA-N 1 3 368.525 2.955 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCN3CCCc4ccccc43)CC2)CC1 ZINC000583256347 519155850 /nfs/dbraw/zinc/15/58/50/519155850.db2.gz USGPUXAUTANLSH-UHFFFAOYSA-N 1 3 370.585 2.931 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCN3CCCc4ccccc43)CC2)CC1 ZINC000583256347 519155861 /nfs/dbraw/zinc/15/58/61/519155861.db2.gz USGPUXAUTANLSH-UHFFFAOYSA-N 1 3 370.585 2.931 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)COCc1ccccc1Cl ZINC000580423327 519168614 /nfs/dbraw/zinc/16/86/14/519168614.db2.gz ONMHHKZUDRSMOH-SFHVURJKSA-N 1 3 352.906 2.824 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C[C@H]1C[NH3+] ZINC000568730381 519186630 /nfs/dbraw/zinc/18/66/30/519186630.db2.gz JUBQZMAFHJOAPV-IXDOHACOSA-N 1 3 364.559 2.586 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000577723943 519223617 /nfs/dbraw/zinc/22/36/17/519223617.db2.gz OCCQVDJKZRJCAZ-QRBPQYNOSA-N 1 3 356.514 2.639 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000571700996 519229383 /nfs/dbraw/zinc/22/93/83/519229383.db2.gz PXQHFEAYWXOCRP-XLIONFOSSA-N 1 3 357.542 2.965 20 0 FFADHO Cc1nc(C(F)(F)F)c(CN(C)CCCN(C)CC[NH+](C)C)s1 ZINC000574602348 519235914 /nfs/dbraw/zinc/23/59/14/519235914.db2.gz ZWSARZAKHSFTGD-UHFFFAOYSA-N 1 3 352.470 2.786 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000574665478 519268829 /nfs/dbraw/zinc/26/88/29/519268829.db2.gz AUORDIMIDPQMAL-SJORKVTESA-N 1 3 364.559 2.901 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000574667538 519270224 /nfs/dbraw/zinc/27/02/24/519270224.db2.gz IBUHNLRIOBQUPJ-OALUTQOASA-N 1 3 358.530 2.668 20 0 FFADHO COc1cc(NC(=O)CCN[C@@H](C)CC[NH+](C)C)c(OC)cc1Cl ZINC000574869542 519375371 /nfs/dbraw/zinc/37/53/71/519375371.db2.gz WCUKDSFYYJMZKP-LBPRGKRZSA-N 1 3 357.882 2.616 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000578047350 519390450 /nfs/dbraw/zinc/39/04/50/519390450.db2.gz VQXWZCLHNUAGOX-QUCCMNQESA-N 1 3 369.513 2.602 20 0 FFADHO [NH3+]CCC1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000572006975 519394538 /nfs/dbraw/zinc/39/45/38/519394538.db2.gz CFRYMFTVJZPQLZ-MRXNPFEDSA-N 1 3 350.532 2.655 20 0 FFADHO COCC[NH+]1CCC(NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000572010122 519396141 /nfs/dbraw/zinc/39/61/41/519396141.db2.gz CAGYJBHXNFWCNL-IBGZPJMESA-N 1 3 351.560 2.712 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000590866959 519412296 /nfs/dbraw/zinc/41/22/96/519412296.db2.gz AWGZSFSPERXXGD-NRFANRHFSA-N 1 3 372.557 2.930 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCc4occc4C3)CC2)CC1 ZINC000583763230 519423469 /nfs/dbraw/zinc/42/34/69/519423469.db2.gz UHHBLYMXKREQCX-UHFFFAOYSA-N 1 3 359.514 2.751 20 0 FFADHO Cc1cnc(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)nc1 ZINC000580928213 519430920 /nfs/dbraw/zinc/43/09/20/519430920.db2.gz GQLCNJSJBNPQRV-SFHVURJKSA-N 1 3 352.482 2.905 20 0 FFADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)Nc1cccnc1 ZINC000580935171 519434798 /nfs/dbraw/zinc/43/47/98/519434798.db2.gz RJILTLJLNFHJRG-UHFFFAOYSA-N 1 3 352.482 2.707 20 0 FFADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000591054634 519492844 /nfs/dbraw/zinc/49/28/44/519492844.db2.gz LLTNTYMZFXCBAL-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@H](O)Cc3ccc(F)cc3)cc2)CC1 ZINC000569353065 519507268 /nfs/dbraw/zinc/50/72/68/519507268.db2.gz HIHUSKABCASWEX-HXUWFJFHSA-N 1 3 372.484 2.992 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000566509361 519527527 /nfs/dbraw/zinc/52/75/27/519527527.db2.gz SVCPSVSWBNBTRE-SFTDATJTSA-N 1 3 366.509 2.645 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000566509361 519527529 /nfs/dbraw/zinc/52/75/29/519527529.db2.gz SVCPSVSWBNBTRE-SFTDATJTSA-N 1 3 366.509 2.645 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C12CCCC2 ZINC000584020844 519548889 /nfs/dbraw/zinc/54/88/89/519548889.db2.gz VPFAORCWDMYSTO-SLFFLAALSA-N 1 3 373.541 2.733 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)N(C)C)cc1 ZINC000572345337 519566839 /nfs/dbraw/zinc/56/68/39/519566839.db2.gz CZOKBYIHDNVZHZ-FXAWDEMLSA-N 1 3 367.497 2.630 20 0 FFADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000581202914 519575408 /nfs/dbraw/zinc/57/54/08/519575408.db2.gz YNFZNNAFYUFGDJ-NRFANRHFSA-N 1 3 366.509 2.604 20 0 FFADHO C[N@H+](CCNC(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000591402522 519618030 /nfs/dbraw/zinc/61/80/30/519618030.db2.gz WTVMMWIAJOJWMF-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCNC(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000591402522 519618033 /nfs/dbraw/zinc/61/80/33/519618033.db2.gz WTVMMWIAJOJWMF-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H](NC1(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCOCC1)c1ccccc1 ZINC000566735688 519627160 /nfs/dbraw/zinc/62/71/60/519627160.db2.gz NKGCJZAISRTRRZ-QXAKKESOSA-N 1 3 359.514 2.520 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000591543912 519944598 /nfs/dbraw/zinc/94/45/98/519944598.db2.gz RDNHAEDVYMMNPQ-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000608437795 519979832 /nfs/dbraw/zinc/97/98/32/519979832.db2.gz PDJWPBUVRVHHCI-RXVVDRJESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000608437795 519979844 /nfs/dbraw/zinc/97/98/44/519979844.db2.gz PDJWPBUVRVHHCI-RXVVDRJESA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(C)C1 ZINC000608647478 520062996 /nfs/dbraw/zinc/06/29/96/520062996.db2.gz ACOMFFLMSQXCTA-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(C)C1 ZINC000608647478 520063003 /nfs/dbraw/zinc/06/30/03/520063003.db2.gz ACOMFFLMSQXCTA-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000612909544 520215034 /nfs/dbraw/zinc/21/50/34/520215034.db2.gz NVZPWCFADZPXTB-SJLPKXTDSA-N 1 3 352.910 2.774 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000594963193 520232741 /nfs/dbraw/zinc/23/27/41/520232741.db2.gz JYGSUVVGLJRDSH-OALUTQOASA-N 1 3 350.551 2.526 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612990114 520259575 /nfs/dbraw/zinc/25/95/75/520259575.db2.gz NYEUVMMCNVMQSY-RBUKOAKNSA-N 1 3 370.541 2.728 20 0 FFADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000595031759 520262307 /nfs/dbraw/zinc/26/23/07/520262307.db2.gz CRBUWTJCMCKONY-LPHOPBHVSA-N 1 3 362.514 2.711 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN1CCCC1 ZINC000604019018 520428889 /nfs/dbraw/zinc/42/88/89/520428889.db2.gz PTXMLHUASBODOE-SFHVURJKSA-N 1 3 359.514 2.765 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN1CCCC1 ZINC000604019018 520428898 /nfs/dbraw/zinc/42/88/98/520428898.db2.gz PTXMLHUASBODOE-SFHVURJKSA-N 1 3 359.514 2.765 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000604116733 520454698 /nfs/dbraw/zinc/45/46/98/520454698.db2.gz ZRJHISXXHZZFEP-FPOVZHCZSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000604116733 520454704 /nfs/dbraw/zinc/45/47/04/520454704.db2.gz ZRJHISXXHZZFEP-FPOVZHCZSA-N 1 3 370.541 2.967 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604201637 520483076 /nfs/dbraw/zinc/48/30/76/520483076.db2.gz CRPDRTFERGCZLK-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2ccncc2)c(F)c1 ZINC000617503718 520538906 /nfs/dbraw/zinc/53/89/06/520538906.db2.gz WCOFXALQQAAWJH-INIZCTEOSA-N 1 3 372.488 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2ccncc2)c(F)c1 ZINC000617503718 520538913 /nfs/dbraw/zinc/53/89/13/520538913.db2.gz WCOFXALQQAAWJH-INIZCTEOSA-N 1 3 372.488 2.890 20 0 FFADHO Cc1nc(CC(C)C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617506701 520541264 /nfs/dbraw/zinc/54/12/64/520541264.db2.gz WOVKMTMTPWBAHH-AWEZNQCLSA-N 1 3 354.564 2.652 20 0 FFADHO Cc1nc(CC(C)C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617506701 520541272 /nfs/dbraw/zinc/54/12/72/520541272.db2.gz WOVKMTMTPWBAHH-AWEZNQCLSA-N 1 3 354.564 2.652 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000617504799 520542277 /nfs/dbraw/zinc/54/22/77/520542277.db2.gz KPTPARZYGJGDDA-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000617504799 520542283 /nfs/dbraw/zinc/54/22/83/520542283.db2.gz KPTPARZYGJGDDA-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506642 520542688 /nfs/dbraw/zinc/54/26/88/520542688.db2.gz UYGTWVBULMVKPV-CVEARBPZSA-N 1 3 353.938 2.907 20 0 FFADHO C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506642 520542694 /nfs/dbraw/zinc/54/26/94/520542694.db2.gz UYGTWVBULMVKPV-CVEARBPZSA-N 1 3 353.938 2.907 20 0 FFADHO Cc1ccc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617506685 520543618 /nfs/dbraw/zinc/54/36/18/520543618.db2.gz VZRRFOBLVZJUSB-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1ccc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617506685 520543627 /nfs/dbraw/zinc/54/36/27/520543627.db2.gz VZRRFOBLVZJUSB-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1ccc2c(CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c[nH]c2c1 ZINC000617505953 520543844 /nfs/dbraw/zinc/54/38/44/520543844.db2.gz WGJCFYMAQBKDCW-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO Cc1ccc2c(CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c[nH]c2c1 ZINC000617505953 520543854 /nfs/dbraw/zinc/54/38/54/520543854.db2.gz WGJCFYMAQBKDCW-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000601254591 520710459 /nfs/dbraw/zinc/71/04/59/520710459.db2.gz SAIPRBANMUQTQB-KRWDZBQOSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000614446102 520970362 /nfs/dbraw/zinc/97/03/62/520970362.db2.gz LWXDIYRZCMLRCH-LMMKCTJWSA-N 1 3 367.578 2.579 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccccc1F ZINC000606360772 521036996 /nfs/dbraw/zinc/03/69/96/521036996.db2.gz RTFGLNATQZHEAE-HKUYNNGSSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccccc1F ZINC000606360772 521037006 /nfs/dbraw/zinc/03/70/06/521037006.db2.gz RTFGLNATQZHEAE-HKUYNNGSSA-N 1 3 363.521 2.879 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCC[C@H]1C ZINC000606638608 521117043 /nfs/dbraw/zinc/11/70/43/521117043.db2.gz RIRAPPDDAQTDNX-CEXWTWQISA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000606702701 521142844 /nfs/dbraw/zinc/14/28/44/521142844.db2.gz CPSZCGPUYJJERE-MRXNPFEDSA-N 1 3 364.509 2.629 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000606701552 521143090 /nfs/dbraw/zinc/14/30/90/521143090.db2.gz FOKXREXXXZOLMO-MRXNPFEDSA-N 1 3 364.509 2.629 20 0 FFADHO CC[C@@H](Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000602118065 521153858 /nfs/dbraw/zinc/15/38/58/521153858.db2.gz OCRXOSMFZBCKLK-IBGZPJMESA-N 1 3 357.542 2.930 20 0 FFADHO CCS[C@H]1CC[C@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692269 521224738 /nfs/dbraw/zinc/22/47/38/521224738.db2.gz ATBWMGUQZGKMSJ-ULQDDVLXSA-N 1 3 358.596 2.574 20 0 FFADHO CCS[C@H]1CC[C@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692269 521224746 /nfs/dbraw/zinc/22/47/46/521224746.db2.gz ATBWMGUQZGKMSJ-ULQDDVLXSA-N 1 3 358.596 2.574 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000607226534 521298947 /nfs/dbraw/zinc/29/89/47/521298947.db2.gz HNMLUOCICDBENW-GOSISDBHSA-N 1 3 366.937 2.926 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCN(C2CC2)C1 ZINC000615447434 521406922 /nfs/dbraw/zinc/40/69/22/521406922.db2.gz JHDKTFDEZMWTIH-TZIWHRDSSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN(C2CC2)C1 ZINC000615447434 521406931 /nfs/dbraw/zinc/40/69/31/521406931.db2.gz JHDKTFDEZMWTIH-TZIWHRDSSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000612104332 521482839 /nfs/dbraw/zinc/48/28/39/521482839.db2.gz HUTHASRSPUXEFU-HOJAQTOUSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000612104332 521482850 /nfs/dbraw/zinc/48/28/50/521482850.db2.gz HUTHASRSPUXEFU-HOJAQTOUSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000612303619 521568993 /nfs/dbraw/zinc/56/89/93/521568993.db2.gz JJXOFHOJOMYUEP-YFVAEKQCSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000612303619 521568997 /nfs/dbraw/zinc/56/89/97/521568997.db2.gz JJXOFHOJOMYUEP-YFVAEKQCSA-N 1 3 355.526 2.540 20 0 FFADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccccc1 ZINC000625944503 521800350 /nfs/dbraw/zinc/80/03/50/521800350.db2.gz QWDIPJJQSLMXEL-SFHVURJKSA-N 1 3 354.454 2.593 20 0 FFADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000625969566 521812800 /nfs/dbraw/zinc/81/28/00/521812800.db2.gz JXNTXZGVMPJFPO-RTBURBONSA-N 1 3 371.550 2.984 20 0 FFADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000625969566 521812807 /nfs/dbraw/zinc/81/28/07/521812807.db2.gz JXNTXZGVMPJFPO-RTBURBONSA-N 1 3 371.550 2.984 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OC1CC1 ZINC000623453285 522032627 /nfs/dbraw/zinc/03/26/27/522032627.db2.gz HQXZUUKPLPICJW-RTBURBONSA-N 1 3 360.498 2.704 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(c4ccon4)CC3)CC2)CC1 ZINC000620227159 522129508 /nfs/dbraw/zinc/12/95/08/522129508.db2.gz VJUHKHXLZKUSKL-UHFFFAOYSA-N 1 3 374.529 2.577 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000623643500 522187864 /nfs/dbraw/zinc/18/78/64/522187864.db2.gz ACFLYDQLBNRUOM-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO Fc1cc(Cl)ccc1N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000629548213 522303725 /nfs/dbraw/zinc/30/37/25/522303725.db2.gz WLAPMGXFTDDXNJ-BURFUSLBSA-N 1 3 367.896 2.805 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)CN1CCCC1 ZINC000629560720 522314850 /nfs/dbraw/zinc/31/48/50/522314850.db2.gz NRPLEKBUSRBQLZ-IBGZPJMESA-N 1 3 365.949 2.598 20 0 FFADHO C[C@H](Cc1ccc(F)c(Br)c1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629572334 522326705 /nfs/dbraw/zinc/32/67/05/522326705.db2.gz ZPDWYUUHZDRFNL-OCCSQVGLSA-N 1 3 359.283 2.566 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000620662486 522342373 /nfs/dbraw/zinc/34/23/73/522342373.db2.gz SHNRWAMEDHBCPA-LEWJYISDSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000620662486 522342381 /nfs/dbraw/zinc/34/23/81/522342381.db2.gz SHNRWAMEDHBCPA-LEWJYISDSA-N 1 3 372.557 2.819 20 0 FFADHO CC[C@@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000624000044 522415804 /nfs/dbraw/zinc/41/58/04/522415804.db2.gz MMJGHRYFPGQWFK-NRFANRHFSA-N 1 3 359.558 2.784 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635650952 522421988 /nfs/dbraw/zinc/42/19/88/522421988.db2.gz GIPSJWKRHOSULY-QUCCMNQESA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635723698 522479005 /nfs/dbraw/zinc/47/90/05/522479005.db2.gz DGHKJJUORIQILO-QGZVFWFLSA-N 1 3 356.514 2.599 20 0 FFADHO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCN1C1CCCC1 ZINC000635877358 522595660 /nfs/dbraw/zinc/59/56/60/522595660.db2.gz ICTAUWWZBZXXMH-BDVYOWHSSA-N 1 3 373.463 2.925 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000630078706 522613835 /nfs/dbraw/zinc/61/38/35/522613835.db2.gz VAMVHEJAHBAOPS-YCPHGPKFSA-N 1 3 354.397 2.869 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621109100 522631390 /nfs/dbraw/zinc/63/13/90/522631390.db2.gz PBUBAGCOOYENKN-IBGZPJMESA-N 1 3 355.526 2.673 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621109100 522631396 /nfs/dbraw/zinc/63/13/96/522631396.db2.gz PBUBAGCOOYENKN-IBGZPJMESA-N 1 3 355.526 2.673 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621109101 522632296 /nfs/dbraw/zinc/63/22/96/522632296.db2.gz PBUBAGCOOYENKN-LJQANCHMSA-N 1 3 355.526 2.673 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621109101 522632307 /nfs/dbraw/zinc/63/23/07/522632307.db2.gz PBUBAGCOOYENKN-LJQANCHMSA-N 1 3 355.526 2.673 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000627165029 522688461 /nfs/dbraw/zinc/68/84/61/522688461.db2.gz LCXHKSBVEVUYKG-BTHPGYMESA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NC[C@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000624578922 522793035 /nfs/dbraw/zinc/79/30/35/522793035.db2.gz ZGAQKLKJGDQYMH-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NC[C@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000624578922 522793042 /nfs/dbraw/zinc/79/30/42/522793042.db2.gz ZGAQKLKJGDQYMH-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000636304032 522901047 /nfs/dbraw/zinc/90/10/47/522901047.db2.gz QMUMNVPRPQOZJU-CJNGLKHVSA-N 1 3 357.420 2.766 20 0 FFADHO CN(C)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000636304032 522901051 /nfs/dbraw/zinc/90/10/51/522901051.db2.gz QMUMNVPRPQOZJU-CJNGLKHVSA-N 1 3 357.420 2.766 20 0 FFADHO C[C@@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000636553657 523063012 /nfs/dbraw/zinc/06/30/12/523063012.db2.gz CNBWDQKHJWQXAL-HOTGVXAUSA-N 1 3 362.522 2.534 20 0 FFADHO C[C@@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000636553657 523063017 /nfs/dbraw/zinc/06/30/17/523063017.db2.gz CNBWDQKHJWQXAL-HOTGVXAUSA-N 1 3 362.522 2.534 20 0 FFADHO CN1CCC(n2cc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cn2)CC1 ZINC000634092695 523180492 /nfs/dbraw/zinc/18/04/92/523180492.db2.gz ZDISGJITBDSOSB-MRXNPFEDSA-N 1 3 359.518 2.743 20 0 FFADHO CN1CCC(n2cc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cn2)CC1 ZINC000634092695 523180503 /nfs/dbraw/zinc/18/05/03/523180503.db2.gz ZDISGJITBDSOSB-MRXNPFEDSA-N 1 3 359.518 2.743 20 0 FFADHO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000625137007 523197208 /nfs/dbraw/zinc/19/72/08/523197208.db2.gz FBYSZSZSPRJAGR-BHIFYINESA-N 1 3 367.537 2.841 20 0 FFADHO O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000625137007 523197214 /nfs/dbraw/zinc/19/72/14/523197214.db2.gz FBYSZSZSPRJAGR-BHIFYINESA-N 1 3 367.537 2.841 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000634133579 523204667 /nfs/dbraw/zinc/20/46/67/523204667.db2.gz OPRASQHCWOZOGK-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634133579 523204671 /nfs/dbraw/zinc/20/46/71/523204671.db2.gz OPRASQHCWOZOGK-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625187733 523240847 /nfs/dbraw/zinc/24/08/47/523240847.db2.gz CADUTAZHQHNZGN-PCCBWWKXSA-N 1 3 355.526 2.697 20 0 FFADHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625187733 523240849 /nfs/dbraw/zinc/24/08/49/523240849.db2.gz CADUTAZHQHNZGN-PCCBWWKXSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000622090028 523259867 /nfs/dbraw/zinc/25/98/67/523259867.db2.gz KEONTEIYAOTSGX-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000622090027 523260795 /nfs/dbraw/zinc/26/07/95/523260795.db2.gz KEONTEIYAOTSGX-HDICACEKSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000622090027 523260801 /nfs/dbraw/zinc/26/08/01/523260801.db2.gz KEONTEIYAOTSGX-HDICACEKSA-N 1 3 352.567 2.870 20 0 FFADHO CN(C)[C@H](C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccsc1 ZINC000634640780 523542318 /nfs/dbraw/zinc/54/23/18/523542318.db2.gz HAGQKOLGSIDLGG-UXHICEINSA-N 1 3 359.539 2.577 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634698481 523585916 /nfs/dbraw/zinc/58/59/16/523585916.db2.gz NINZXKJUEXRSJH-MRXNPFEDSA-N 1 3 359.297 2.950 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@@H]1CCCN(C)C1 ZINC000625801160 523697295 /nfs/dbraw/zinc/69/72/95/523697295.db2.gz AOWJSORTOZVCFW-QHAWAJNXSA-N 1 3 355.526 2.697 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@@H]1CCCN(C)C1 ZINC000625801160 523697299 /nfs/dbraw/zinc/69/72/99/523697299.db2.gz AOWJSORTOZVCFW-QHAWAJNXSA-N 1 3 355.526 2.697 20 0 FFADHO c1cnc2c(c1)[C@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CCC2 ZINC000631576815 523701918 /nfs/dbraw/zinc/70/19/18/523701918.db2.gz NQDXTOXRZPVAIS-OAQYLSRUSA-N 1 3 351.498 2.656 20 0 FFADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000820557254 599684051 /nfs/dbraw/zinc/68/40/51/599684051.db2.gz XQVJEEVZHACTMY-INIZCTEOSA-N 1 3 370.501 2.505 20 0 FFADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000820557254 599684052 /nfs/dbraw/zinc/68/40/52/599684052.db2.gz XQVJEEVZHACTMY-INIZCTEOSA-N 1 3 370.501 2.505 20 0 FFADHO CC1CC[NH+](C2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824953688 607753538 /nfs/dbraw/zinc/75/35/38/607753538.db2.gz HBARZKCTTIYDKN-UHFFFAOYSA-N 1 3 354.502 2.999 20 0 FFADHO CC1CC[NH+](C2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824953688 607753539 /nfs/dbraw/zinc/75/35/39/607753539.db2.gz HBARZKCTTIYDKN-UHFFFAOYSA-N 1 3 354.502 2.999 20 0 FFADHO c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001164732483 720434987 /nfs/dbraw/zinc/43/49/87/720434987.db2.gz NQRVUFAOSRCXMK-SFTDATJTSA-N 1 3 363.509 2.926 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(c1cc(C[NH+](C)C)ccn1)[C@@H]2C ZINC001164860916 721011970 /nfs/dbraw/zinc/01/19/70/721011970.db2.gz LUBMREBPOGCRRW-MRXNPFEDSA-N 1 3 356.518 2.761 20 0 FFADHO CC[NH+]1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000145501783 728742618 /nfs/dbraw/zinc/74/26/18/728742618.db2.gz FXECXFMXUKYWHG-UHFFFAOYSA-N 1 3 360.571 2.599 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000641798274 730252933 /nfs/dbraw/zinc/25/29/33/730252933.db2.gz DMKBVYSAZLFNAY-HOCLYGCPSA-N 1 3 354.397 2.726 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924951375 738465428 /nfs/dbraw/zinc/46/54/28/738465428.db2.gz LUCKYAZOTHJQPK-CRAIPNDOSA-N 1 3 350.938 2.976 20 0 FFADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000646254357 730646155 /nfs/dbraw/zinc/64/61/55/730646155.db2.gz NHQUIGQXNWSLGQ-BBRMVZONSA-N 1 3 357.420 2.594 20 0 FFADHO C[NH+](C)CC1CCN(C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862220811 730677585 /nfs/dbraw/zinc/67/75/85/730677585.db2.gz QGPYDRIDBOEGBD-OAHLLOKOSA-N 1 3 361.477 2.905 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862366217 730692275 /nfs/dbraw/zinc/69/22/75/730692275.db2.gz DXIVSCNJKIZMCX-JKSUJKDBSA-N 1 3 355.523 2.678 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862366217 730692276 /nfs/dbraw/zinc/69/22/76/730692276.db2.gz DXIVSCNJKIZMCX-JKSUJKDBSA-N 1 3 355.523 2.678 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccns3)CC2)CC1 ZINC000863612456 730796022 /nfs/dbraw/zinc/79/60/22/730796022.db2.gz AUQZJAWQUHUUSD-CQSZACIVSA-N 1 3 350.532 2.517 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648447404 730809601 /nfs/dbraw/zinc/80/96/01/730809601.db2.gz MIJUVXDBMHKYSR-CQSZACIVSA-N 1 3 350.894 2.844 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649293723 730875063 /nfs/dbraw/zinc/87/50/63/730875063.db2.gz GSHMQIMNZBXLKD-DLBZAZTESA-N 1 3 351.441 2.575 20 0 FFADHO CCN(CC)c1ncc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707018 731021986 /nfs/dbraw/zinc/02/19/86/731021986.db2.gz XBRVZLRHEUGPPB-UXLLHSPISA-N 1 3 352.548 2.708 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000652119711 731167788 /nfs/dbraw/zinc/16/77/88/731167788.db2.gz VJXLERCEVHOIRB-BXWFABGCSA-N 1 3 362.543 2.655 20 0 FFADHO CSc1nnc(CCC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)n1CC(C)C ZINC000925487646 738510157 /nfs/dbraw/zinc/51/01/57/738510157.db2.gz NDPDHHWUPQFGAD-HYVNUMGLSA-N 1 3 365.591 2.955 20 0 FFADHO CSc1nnc(CCCN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1CC(C)C ZINC000925487646 738510160 /nfs/dbraw/zinc/51/01/60/738510160.db2.gz NDPDHHWUPQFGAD-HYVNUMGLSA-N 1 3 365.591 2.955 20 0 FFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346593 731185227 /nfs/dbraw/zinc/18/52/27/731185227.db2.gz AWDPNJCEXJQMJV-OKYOBFRVSA-N 1 3 353.551 2.536 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925595694 738517391 /nfs/dbraw/zinc/51/73/91/738517391.db2.gz AKUBNCZRUSAVMQ-HUUCEWRRSA-N 1 3 366.303 2.946 20 0 FFADHO C[C@H](C[C@H](O)c1cccs1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215198 731740640 /nfs/dbraw/zinc/74/06/40/731740640.db2.gz SXUCMAJPSMMPDH-KPFFTGBYSA-N 1 3 360.523 2.787 20 0 FFADHO C[C@H](C[C@H](O)c1cccs1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215198 731740644 /nfs/dbraw/zinc/74/06/44/731740644.db2.gz SXUCMAJPSMMPDH-KPFFTGBYSA-N 1 3 360.523 2.787 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000925833439 738534662 /nfs/dbraw/zinc/53/46/62/738534662.db2.gz IYGZBZXUAGNPHJ-WMZOPIPTSA-N 1 3 352.544 2.923 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657346715 731772286 /nfs/dbraw/zinc/77/22/86/731772286.db2.gz HNIZFMTZHKXOEP-CQSZACIVSA-N 1 3 359.436 2.790 20 0 FFADHO CSc1ccc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925855050 738537686 /nfs/dbraw/zinc/53/76/86/738537686.db2.gz SSRKWWVMUNYILO-JSGCOSHPSA-N 1 3 352.475 2.884 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)F)nc1 ZINC000657864053 731825338 /nfs/dbraw/zinc/82/53/38/731825338.db2.gz JRGPRIMSISQKTH-XJKSGUPXSA-N 1 3 354.445 2.613 20 0 FFADHO C[C@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)F)nc1 ZINC000657864053 731825340 /nfs/dbraw/zinc/82/53/40/731825340.db2.gz JRGPRIMSISQKTH-XJKSGUPXSA-N 1 3 354.445 2.613 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cccc(F)c2I)C1 ZINC000873134189 731879445 /nfs/dbraw/zinc/87/94/45/731879445.db2.gz YGBZQXKASVDLAQ-KLPPZKSPSA-N 1 3 362.230 2.860 20 0 FFADHO Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCC2 ZINC000873246915 731895159 /nfs/dbraw/zinc/89/51/59/731895159.db2.gz DGDNGYDBHVCLMZ-MRXNPFEDSA-N 1 3 354.483 2.658 20 0 FFADHO [NH3+]C1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC1 ZINC000658990185 731933919 /nfs/dbraw/zinc/93/39/19/731933919.db2.gz OAHHIFGOVJAJAC-UHFFFAOYSA-N 1 3 362.543 2.671 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC000876029779 732208760 /nfs/dbraw/zinc/20/87/60/732208760.db2.gz OWADFBFDTVPEFF-QGZVFWFLSA-N 1 3 350.551 2.623 20 0 FFADHO O=c1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)nc2ccc(Cl)cn12 ZINC000662290053 732293681 /nfs/dbraw/zinc/29/36/81/732293681.db2.gz GPFSMPDKRKPICD-OAHLLOKOSA-N 1 3 360.889 2.560 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc2c1CNC2 ZINC000662426391 732314190 /nfs/dbraw/zinc/31/41/90/732314190.db2.gz RVVAOBITXHXUFP-HNNXBMFYSA-N 1 3 355.507 2.993 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc2c1CNC2 ZINC000662426391 732314196 /nfs/dbraw/zinc/31/41/96/732314196.db2.gz RVVAOBITXHXUFP-HNNXBMFYSA-N 1 3 355.507 2.993 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCN(C)C1 ZINC000664212837 732552635 /nfs/dbraw/zinc/55/26/35/732552635.db2.gz WNUIBLKVPGVVFG-XYJFISCASA-N 1 3 364.559 2.867 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H]1CCN(C)C1 ZINC000664212837 732552639 /nfs/dbraw/zinc/55/26/39/732552639.db2.gz WNUIBLKVPGVVFG-XYJFISCASA-N 1 3 364.559 2.867 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N(C)C)cc1 ZINC000664971455 732654664 /nfs/dbraw/zinc/65/46/64/732654664.db2.gz RILXAQVYDSHZRC-PBHICJAKSA-N 1 3 352.548 2.651 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000665760587 732752459 /nfs/dbraw/zinc/75/24/59/732752459.db2.gz KWTKAMXREZSKQE-SOUVJXGZSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000665760587 732752460 /nfs/dbraw/zinc/75/24/60/732752460.db2.gz KWTKAMXREZSKQE-SOUVJXGZSA-N 1 3 366.472 2.631 20 0 FFADHO CCc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1OC ZINC000667204100 732965303 /nfs/dbraw/zinc/96/53/03/732965303.db2.gz HKJCQYZWFGFYJD-HNNXBMFYSA-N 1 3 350.507 2.651 20 0 FFADHO CCc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1OC ZINC000667204100 732965306 /nfs/dbraw/zinc/96/53/06/732965306.db2.gz HKJCQYZWFGFYJD-HNNXBMFYSA-N 1 3 350.507 2.651 20 0 FFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2C[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000883374941 733376606 /nfs/dbraw/zinc/37/66/06/733376606.db2.gz WXBYWWCZSGUVLJ-ZTFGCOKTSA-N 1 3 368.543 2.763 20 0 FFADHO CCc1ccc([C@H](CNC(=S)NC[C@@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000884342786 733514241 /nfs/dbraw/zinc/51/42/41/733514241.db2.gz KMFJBUZAXXKUMZ-OALUTQOASA-N 1 3 362.587 2.800 20 0 FFADHO CCc1ccc([C@H](CNC(=S)NC[C@@H]2CCC[N@@H+]2CC)N(C)C)cc1 ZINC000884342786 733514245 /nfs/dbraw/zinc/51/42/45/733514245.db2.gz KMFJBUZAXXKUMZ-OALUTQOASA-N 1 3 362.587 2.800 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000672943029 733572579 /nfs/dbraw/zinc/57/25/79/733572579.db2.gz QYRQQCCPSKJTLV-ZWKOTPCHSA-N 1 3 350.482 2.602 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885969166 733734859 /nfs/dbraw/zinc/73/48/59/733734859.db2.gz LSGIHZNGADEUOB-MRXNPFEDSA-N 1 3 355.473 2.694 20 0 FFADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000891321778 734413821 /nfs/dbraw/zinc/41/38/21/734413821.db2.gz CCQNXTNUXWYPNP-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO CCC1([NH3+])CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000891322347 734414155 /nfs/dbraw/zinc/41/41/55/734414155.db2.gz OCJJHGURJNJTCN-HNNXBMFYSA-N 1 3 350.532 2.798 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000891543201 734443766 /nfs/dbraw/zinc/44/37/66/734443766.db2.gz QSYWMBNWNRIBCR-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000891543201 734443769 /nfs/dbraw/zinc/44/37/69/734443769.db2.gz QSYWMBNWNRIBCR-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000891543974 734444044 /nfs/dbraw/zinc/44/40/44/734444044.db2.gz VPQIKSHAQGJOKY-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000891543974 734444047 /nfs/dbraw/zinc/44/40/47/734444047.db2.gz VPQIKSHAQGJOKY-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000727090155 734465284 /nfs/dbraw/zinc/46/52/84/734465284.db2.gz YFWVYQSVDDHZIF-QGZVFWFLSA-N 1 3 362.587 2.845 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000727090155 734465286 /nfs/dbraw/zinc/46/52/86/734465286.db2.gz YFWVYQSVDDHZIF-QGZVFWFLSA-N 1 3 362.587 2.845 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)N(C)C)cc1 ZINC000891922041 734495218 /nfs/dbraw/zinc/49/52/18/734495218.db2.gz BZZCUUVJRCHLGM-SCTDSRPQSA-N 1 3 362.543 2.595 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000892142050 734521056 /nfs/dbraw/zinc/52/10/56/734521056.db2.gz BZOJZFFDSLYNRA-OKZBNKHCSA-N 1 3 351.535 2.953 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000892142050 734521062 /nfs/dbraw/zinc/52/10/62/734521062.db2.gz BZOJZFFDSLYNRA-OKZBNKHCSA-N 1 3 351.535 2.953 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)CC1 ZINC000892192766 734527161 /nfs/dbraw/zinc/52/71/61/734527161.db2.gz OSRGSZJAOIVUPV-WBVHZDCISA-N 1 3 358.368 2.650 20 0 FFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000892580330 734575846 /nfs/dbraw/zinc/57/58/46/734575846.db2.gz JXCPBAKBXMCUFA-FUHIMQAGSA-N 1 3 364.555 2.974 20 0 FFADHO Cc1cc(Br)ccc1NC(=O)CNCC1CC[NH+](C)CC1 ZINC000892730762 734597172 /nfs/dbraw/zinc/59/71/72/734597172.db2.gz JNUNTBISDKJBCA-UHFFFAOYSA-N 1 3 354.292 2.627 20 0 FFADHO COC(=O)c1sccc1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000893070475 734647053 /nfs/dbraw/zinc/64/70/53/734647053.db2.gz WEPKMDCPDWNLRA-UHFFFAOYSA-N 1 3 365.543 2.575 20 0 FFADHO COC(=O)c1sccc1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000893070475 734647057 /nfs/dbraw/zinc/64/70/57/734647057.db2.gz WEPKMDCPDWNLRA-UHFFFAOYSA-N 1 3 365.543 2.575 20 0 FFADHO Cc1cc(Br)cn2cc(CNCC3CC[NH+](C)CC3)nc12 ZINC000893580367 734722009 /nfs/dbraw/zinc/72/20/09/734722009.db2.gz MNNUKPXZNSPKFG-UHFFFAOYSA-N 1 3 351.292 2.837 20 0 FFADHO CC1CCC(N2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000734381957 734893287 /nfs/dbraw/zinc/89/32/87/734893287.db2.gz XUMUYOABOSVYGG-UHFFFAOYSA-N 1 3 354.608 2.645 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000894766691 734913106 /nfs/dbraw/zinc/91/31/06/734913106.db2.gz VXUFNJGFHSIKKL-GVDBMIGSSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccco1 ZINC000894766691 734913109 /nfs/dbraw/zinc/91/31/09/734913109.db2.gz VXUFNJGFHSIKKL-GVDBMIGSSA-N 1 3 350.507 2.740 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2Cl)[C@@H](C)C1 ZINC000749345450 735716248 /nfs/dbraw/zinc/71/62/48/735716248.db2.gz BXRCCZVYISYWTO-IEZWGBDMSA-N 1 3 354.922 2.880 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2Cl)[C@@H](C)C1 ZINC000749345450 735716249 /nfs/dbraw/zinc/71/62/49/735716249.db2.gz BXRCCZVYISYWTO-IEZWGBDMSA-N 1 3 354.922 2.880 20 0 FFADHO CC1(C)[C@H]([NH2+]CC2(OCCO)CCC(C(F)F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000902434326 735946211 /nfs/dbraw/zinc/94/62/11/735946211.db2.gz NKQZIMLVCMHGGH-AOZDQCPJSA-N 1 3 360.489 2.556 20 0 FFADHO CC1(C)[C@H](NCC2(OCCO)CCC(C(F)F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902434326 735946213 /nfs/dbraw/zinc/94/62/13/735946213.db2.gz NKQZIMLVCMHGGH-AOZDQCPJSA-N 1 3 360.489 2.556 20 0 FFADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cccc(NS(=O)(=O)C3CC3)c2)C1 ZINC000902513687 735954328 /nfs/dbraw/zinc/95/43/28/735954328.db2.gz GYMFFKXFCNYMNT-HOCLYGCPSA-N 1 3 351.516 2.586 20 0 FFADHO Cc1cc(Br)ccc1NC(=O)CN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426400 736092050 /nfs/dbraw/zinc/09/20/50/736092050.db2.gz JWLXQRBRQUXFIC-OCCSQVGLSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442204 736095339 /nfs/dbraw/zinc/09/53/39/736095339.db2.gz KFKKMMDHFCEWTE-ZNMIVQPWSA-N 1 3 361.515 2.604 20 0 FFADHO C[C@@H]1CN(CC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1CC[NH3+] ZINC000903496594 736102205 /nfs/dbraw/zinc/10/22/05/736102205.db2.gz UWWDXJJUKXLTAM-MDYRTPRTSA-N 1 3 357.523 2.870 20 0 FFADHO Clc1ccccc1OC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903753575 736162663 /nfs/dbraw/zinc/16/26/63/736162663.db2.gz WLOVLESQLVFGBI-LPHOPBHVSA-N 1 3 350.890 2.952 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903761660 736163822 /nfs/dbraw/zinc/16/38/22/736163822.db2.gz YWUQETBRRRPBKD-XUWVNRHRSA-N 1 3 350.425 2.705 20 0 FFADHO c1csc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903980625 736199086 /nfs/dbraw/zinc/19/90/86/736199086.db2.gz WAUQEWSBGUNOLB-CALCHBBNSA-N 1 3 357.527 2.539 20 0 FFADHO c1csc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903980625 736199088 /nfs/dbraw/zinc/19/90/88/736199088.db2.gz WAUQEWSBGUNOLB-CALCHBBNSA-N 1 3 357.527 2.539 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774973815 738047072 /nfs/dbraw/zinc/04/70/72/738047072.db2.gz FAELKPYBJKTKNZ-UHFFFAOYSA-N 1 3 354.336 2.875 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922386901 738134984 /nfs/dbraw/zinc/13/49/84/738134984.db2.gz JXZIGKVUOLGGRV-PSBWJHGTSA-N 1 3 352.906 2.918 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922386901 738134987 /nfs/dbraw/zinc/13/49/87/738134987.db2.gz JXZIGKVUOLGGRV-PSBWJHGTSA-N 1 3 352.906 2.918 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)ccc3OC)C2)[C@@H]1C(C)C ZINC000922395698 738137597 /nfs/dbraw/zinc/13/75/97/738137597.db2.gz YQJHUKPKWBXWQM-IZBJGVDFSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)ccc3OC)C2)[C@@H]1C(C)C ZINC000922395698 738137599 /nfs/dbraw/zinc/13/75/99/738137599.db2.gz YQJHUKPKWBXWQM-IZBJGVDFSA-N 1 3 350.478 2.794 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923393052 738278654 /nfs/dbraw/zinc/27/86/54/738278654.db2.gz MVPLIDJQICSZDA-PILAGYSTSA-N 1 3 356.869 2.873 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H]3CCC4(COC4)O3)C2)s1 ZINC000930374509 739096637 /nfs/dbraw/zinc/09/66/37/739096637.db2.gz UURANXWRSKHALR-IRXDYDNUSA-N 1 3 350.528 2.758 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H]3CCC4(COC4)O3)C2)s1 ZINC000930374509 739096639 /nfs/dbraw/zinc/09/66/39/739096639.db2.gz UURANXWRSKHALR-IRXDYDNUSA-N 1 3 350.528 2.758 20 0 FFADHO C[C@H](NC1CCN(CC[NH+](C)C)CC1)c1nc(Br)ccc1F ZINC000798181602 740310211 /nfs/dbraw/zinc/31/02/11/740310211.db2.gz XDESZSWXJPXKGF-LBPRGKRZSA-N 1 3 373.314 2.660 20 0 FFADHO CN1CCN(c2ncccc2C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806133892 741042348 /nfs/dbraw/zinc/04/23/48/741042348.db2.gz DVWPLVVWAKXRLB-INIZCTEOSA-N 1 3 357.889 2.659 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC[C@@H]3CCCC3(F)F)CC2)CC[N@@H+]1C ZINC000981196757 741140943 /nfs/dbraw/zinc/14/09/43/741140943.db2.gz VGPUMTRUJFVKCI-IXDOHACOSA-N 1 3 357.489 2.686 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC[C@@H]3CCCC3(F)F)CC2)CC[N@H+]1C ZINC000981196757 741140946 /nfs/dbraw/zinc/14/09/46/741140946.db2.gz VGPUMTRUJFVKCI-IXDOHACOSA-N 1 3 357.489 2.686 20 0 FFADHO C[N@H+](C[C@@H](O)CN1CCC[C@@H]1Cc1ccc(Br)cc1)C1CC1 ZINC000809936979 741363961 /nfs/dbraw/zinc/36/39/61/741363961.db2.gz SVBIPPOSKMELBQ-QZTJIDSGSA-N 1 3 367.331 2.911 20 0 FFADHO C[N@@H+](C[C@@H](O)CN1CCC[C@@H]1Cc1ccc(Br)cc1)C1CC1 ZINC000809936979 741363963 /nfs/dbraw/zinc/36/39/63/741363963.db2.gz SVBIPPOSKMELBQ-QZTJIDSGSA-N 1 3 367.331 2.911 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)c3ccccc3Cl)CC2)CC1 ZINC000817285689 742117211 /nfs/dbraw/zinc/11/72/11/742117211.db2.gz MQQJQTDAAWXACM-FQEVSTJZSA-N 1 3 365.949 2.865 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)c3ccccc3Cl)CC2)CC1 ZINC000817285689 742117216 /nfs/dbraw/zinc/11/72/16/742117216.db2.gz MQQJQTDAAWXACM-FQEVSTJZSA-N 1 3 365.949 2.865 20 0 FFADHO CC[NH+]1CCC(N2CCCN(C[C@H](O)c3ccccc3Cl)CC2)CC1 ZINC000817285689 742117221 /nfs/dbraw/zinc/11/72/21/742117221.db2.gz MQQJQTDAAWXACM-FQEVSTJZSA-N 1 3 365.949 2.865 20 0 FFADHO COc1cc(C)c([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000817972505 742225370 /nfs/dbraw/zinc/22/53/70/742225370.db2.gz MFLWNHCXHDACCG-PBHICJAKSA-N 1 3 359.436 2.799 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001024966995 742737643 /nfs/dbraw/zinc/73/76/43/742737643.db2.gz JHMRBTHRBIIMIQ-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccnc(Cl)c2)CC[N@H+]1C ZINC001024966995 742737646 /nfs/dbraw/zinc/73/76/46/742737646.db2.gz JHMRBTHRBIIMIQ-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO CC(C)(C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)CN1CCCC1 ZINC000824281224 743049513 /nfs/dbraw/zinc/04/95/13/743049513.db2.gz DMPUCPSCOAPYNY-JXFKEZNVSA-N 1 3 351.535 2.955 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(Cc4ccsc4)C[C@H]32)CC[N@@H+]1C ZINC001050050887 743493660 /nfs/dbraw/zinc/49/36/60/743493660.db2.gz JXQGCNBTFZPTFP-INDMIFKZSA-N 1 3 361.555 2.901 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(Cc4ccsc4)C[C@H]32)CC[N@H+]1C ZINC001050050887 743493663 /nfs/dbraw/zinc/49/36/63/743493663.db2.gz JXQGCNBTFZPTFP-INDMIFKZSA-N 1 3 361.555 2.901 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000829548762 745223287 /nfs/dbraw/zinc/22/32/87/745223287.db2.gz OHUPUGMIHSFAMG-JKSUJKDBSA-N 1 3 352.910 2.814 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000829548762 745223293 /nfs/dbraw/zinc/22/32/93/745223293.db2.gz OHUPUGMIHSFAMG-JKSUJKDBSA-N 1 3 352.910 2.814 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841931893 747488376 /nfs/dbraw/zinc/48/83/76/747488376.db2.gz YNWUCYYBEBRURP-UHFFFAOYSA-N 1 3 360.527 2.523 20 0 FFADHO CN(Cc1c(F)cccc1Cl)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363773 747818770 /nfs/dbraw/zinc/81/87/70/747818770.db2.gz AEMPXTKAIVLOBE-UHFFFAOYSA-N 1 3 353.869 2.513 20 0 FFADHO Cc1ncsc1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849114686 749056244 /nfs/dbraw/zinc/05/62/44/749056244.db2.gz QTQWRWZRJBQTCE-UHFFFAOYSA-N 1 3 357.527 2.773 20 0 FFADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000850362754 749352967 /nfs/dbraw/zinc/35/29/67/749352967.db2.gz RYTMAZWXSYLWFH-IRXDYDNUSA-N 1 3 357.420 2.993 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895694471 970847727 /nfs/dbraw/zinc/84/77/27/970847727.db2.gz VBVNFLVBOIFBQX-BTHPGYMESA-N 1 3 362.489 2.978 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2sc(C)nc2C)C1 ZINC001104809985 970874333 /nfs/dbraw/zinc/87/43/33/970874333.db2.gz UMZFIDHDEAGHTG-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO COc1ccc(C[NH2+]CCc2c[nH]c3c2cccc3C)cc1-c1nn[n-]n1 ZINC000821813723 945871329 /nfs/dbraw/zinc/87/13/29/945871329.db2.gz KTDIXCMIGHDYED-UHFFFAOYSA-N 1 3 362.437 2.997 20 0 FFADHO CS[C@H](C)CC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275854528 1013093701 /nfs/dbraw/zinc/09/37/01/1013093701.db2.gz SXZLPFNQYDIYCE-UZLBHIALSA-N 1 3 361.555 2.680 20 0 FFADHO CS[C@H](C)CC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275854528 1013093713 /nfs/dbraw/zinc/09/37/13/1013093713.db2.gz SXZLPFNQYDIYCE-UZLBHIALSA-N 1 3 361.555 2.680 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1)[NH+](C)C ZINC001088003388 971794585 /nfs/dbraw/zinc/79/45/85/971794585.db2.gz ZWUTYYDXBMNRKT-KPFFTGBYSA-N 1 3 361.505 2.692 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088023128 971897786 /nfs/dbraw/zinc/89/77/86/971897786.db2.gz PZXJKUBPDMFJAT-IMNPTBDCSA-N 1 3 353.938 2.640 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088023128 971897789 /nfs/dbraw/zinc/89/77/89/971897789.db2.gz PZXJKUBPDMFJAT-IMNPTBDCSA-N 1 3 353.938 2.640 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652137901 972382660 /nfs/dbraw/zinc/38/26/60/972382660.db2.gz ZZCVEQFUHRDHPT-WBKMXMRLSA-N 1 3 356.514 2.592 20 0 FFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1 ZINC000969691588 959769902 /nfs/dbraw/zinc/76/99/02/959769902.db2.gz UVVZIDHRQKMJEX-ORYQWCPZSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)c1 ZINC000969691588 959769914 /nfs/dbraw/zinc/76/99/14/959769914.db2.gz UVVZIDHRQKMJEX-ORYQWCPZSA-N 1 3 357.542 2.916 20 0 FFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000122276932 962076584 /nfs/dbraw/zinc/07/65/84/962076584.db2.gz IUHXLGXYQLOFJN-ICSRJNTNSA-N 1 3 371.525 2.566 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1)[C@H]1C[NH+]2CCC1CC2 ZINC001095424430 1013333407 /nfs/dbraw/zinc/33/34/07/1013333407.db2.gz QNBCGVXVPXDSTI-FYQPLNBISA-N 1 3 373.566 2.744 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)c2ccccc2O1 ZINC000683860633 962511104 /nfs/dbraw/zinc/51/11/04/962511104.db2.gz OZBJEZHYIUCGNN-KRWDZBQOSA-N 1 3 359.514 2.854 20 0 FFADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000873223621 1013434491 /nfs/dbraw/zinc/43/44/91/1013434491.db2.gz PLJLSRYDKFCHGN-QFIPXVFZSA-N 1 3 373.541 2.885 20 0 FFADHO CCC(CC)(C[NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000261860898 964054624 /nfs/dbraw/zinc/05/46/24/964054624.db2.gz RFRACJKSCTYRDD-UHFFFAOYSA-N 1 3 365.493 2.550 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2nc(C)cs2)C1 ZINC001104362994 964090290 /nfs/dbraw/zinc/09/02/90/964090290.db2.gz UDPKDYRSEUQDCM-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2nc(C)cs2)C1 ZINC001104362994 964090309 /nfs/dbraw/zinc/09/03/09/964090309.db2.gz UDPKDYRSEUQDCM-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1(N)CCCC1 ZINC000656789788 964116969 /nfs/dbraw/zinc/11/69/69/964116969.db2.gz YJOCVMLEGWHVIY-AWEZNQCLSA-N 1 3 358.486 2.613 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1(N)CCCC1 ZINC000656789789 964117668 /nfs/dbraw/zinc/11/76/68/964117668.db2.gz YJOCVMLEGWHVIY-CQSZACIVSA-N 1 3 358.486 2.613 20 0 FFADHO C[C@H](NC(=O)NCc1ccc(Nc2ccncc2)cc1)C1=CC[N@H+](C)CC1 ZINC000664628172 964796765 /nfs/dbraw/zinc/79/67/65/964796765.db2.gz FSSPOOKQSKWCSZ-INIZCTEOSA-N 1 3 365.481 2.697 20 0 FFADHO C[C@H](NC(=O)NCc1ccc(Nc2ccncc2)cc1)C1=CC[N@@H+](C)CC1 ZINC000664628172 964796780 /nfs/dbraw/zinc/79/67/80/964796780.db2.gz FSSPOOKQSKWCSZ-INIZCTEOSA-N 1 3 365.481 2.697 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C2CCCC2)CC[N@@H+]1C ZINC001270403250 965045548 /nfs/dbraw/zinc/04/55/48/965045548.db2.gz DNRQBUAKZXKROT-YUELXQCFSA-N 1 3 362.345 2.910 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C2CCCC2)CC[N@H+]1C ZINC001270403250 965045563 /nfs/dbraw/zinc/04/55/63/965045563.db2.gz DNRQBUAKZXKROT-YUELXQCFSA-N 1 3 362.345 2.910 20 0 FFADHO Cc1cccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001087175552 965103420 /nfs/dbraw/zinc/10/34/20/965103420.db2.gz UESRXEFUKMPVKL-APWZRJJASA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](CNCc2ccccn2)C1 ZINC001087177108 965203253 /nfs/dbraw/zinc/20/32/53/965203253.db2.gz IEBJFPAZJIMFAR-RLLQIKCJSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](CNCc2ccccn2)C1 ZINC001087177108 965203258 /nfs/dbraw/zinc/20/32/58/965203258.db2.gz IEBJFPAZJIMFAR-RLLQIKCJSA-N 1 3 358.530 2.673 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(C)ns1)N(C)C ZINC001087181150 965289275 /nfs/dbraw/zinc/28/92/75/965289275.db2.gz CRQXVFGGTXVJHX-UKPHBRMFSA-N 1 3 352.548 2.508 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001087181398 965291424 /nfs/dbraw/zinc/29/14/24/965291424.db2.gz PPTPOIZQMDHADZ-IMFGXOCKSA-N 1 3 361.530 2.752 20 0 FFADHO CC(C)(C)[C@H](CN1C(=O)CCC1=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982005 965630418 /nfs/dbraw/zinc/63/04/18/965630418.db2.gz SMDKAGSOWUTUES-FBVQUNGASA-N 1 3 361.530 2.545 20 0 FFADHO CC(C)(C)[C@H](CN1C(=O)CCC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982005 965630426 /nfs/dbraw/zinc/63/04/26/965630426.db2.gz SMDKAGSOWUTUES-FBVQUNGASA-N 1 3 361.530 2.545 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000892260008 966482670 /nfs/dbraw/zinc/48/26/70/966482670.db2.gz GIMFJCQOHJHNSK-HKUYNNGSSA-N 1 3 356.514 2.702 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)cc1C ZINC001087219768 966757624 /nfs/dbraw/zinc/75/76/24/966757624.db2.gz NVUDFQQUQQKWDI-QRWLVFNGSA-N 1 3 354.498 2.986 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977706 967188884 /nfs/dbraw/zinc/18/88/84/967188884.db2.gz GODYYVIBLAUUJA-GBESFXJTSA-N 1 3 373.541 2.926 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000650706600 967550539 /nfs/dbraw/zinc/55/05/39/967550539.db2.gz OHCJTDHZOARCPY-ZCNNSNEGSA-N 1 3 352.482 2.862 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000650706599 967551575 /nfs/dbraw/zinc/55/15/75/967551575.db2.gz OHCJTDHZOARCPY-XUVXKRRUSA-N 1 3 352.482 2.862 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707871 967555515 /nfs/dbraw/zinc/55/55/15/967555515.db2.gz OQQZEDBUXGLLPY-QRFRQXIXSA-N 1 3 355.482 2.962 20 0 FFADHO C[C@@H]1C[C@@H](NCC2(N3CCCC3)COC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012912 967947217 /nfs/dbraw/zinc/94/72/17/967947217.db2.gz FWIQMIOGIHJLMO-CEQLMSFQSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1C[C@@H](NCC2(N3CCCC3)COC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012912 967947219 /nfs/dbraw/zinc/94/72/19/967947219.db2.gz FWIQMIOGIHJLMO-CEQLMSFQSA-N 1 3 357.542 2.882 20 0 FFADHO Cc1ccc(F)c(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001087245232 967983982 /nfs/dbraw/zinc/98/39/82/967983982.db2.gz KBDFSKOJMGXWEJ-AOIWGVFYSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001087245232 967983987 /nfs/dbraw/zinc/98/39/87/967983987.db2.gz KBDFSKOJMGXWEJ-AOIWGVFYSA-N 1 3 361.505 2.803 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166134 968250544 /nfs/dbraw/zinc/25/05/44/968250544.db2.gz GGRMPHHOKZPHCZ-BZUAXINKSA-N 1 3 363.468 2.887 20 0 FFADHO CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@H]1CC ZINC001087653196 968519387 /nfs/dbraw/zinc/51/93/87/968519387.db2.gz JFOCWELODBPJBG-UWWQBHOKSA-N 1 3 359.449 2.598 20 0 FFADHO CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@H]1CC ZINC001087653196 968519388 /nfs/dbraw/zinc/51/93/88/968519388.db2.gz JFOCWELODBPJBG-UWWQBHOKSA-N 1 3 359.449 2.598 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892448499 968829005 /nfs/dbraw/zinc/82/90/05/968829005.db2.gz SPIJIPRMUDVVPW-MXVIHJGJSA-N 1 3 360.546 2.710 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892448829 968830614 /nfs/dbraw/zinc/83/06/14/968830614.db2.gz ZMYGCOFTEQKCHY-KOMQPUFPSA-N 1 3 368.472 2.556 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1cccc(OC)c1 ZINC001087796824 969102038 /nfs/dbraw/zinc/10/20/38/969102038.db2.gz NUIDOTULBZOGKH-YSIASYRMSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1cccc(OC)c1 ZINC001087796824 969102043 /nfs/dbraw/zinc/10/20/43/969102043.db2.gz NUIDOTULBZOGKH-YSIASYRMSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(OC)cc1 ZINC001087796861 969103366 /nfs/dbraw/zinc/10/33/66/969103366.db2.gz PHLHRIGLAFNLLB-YSIASYRMSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(OC)cc1 ZINC001087796861 969103371 /nfs/dbraw/zinc/10/33/71/969103371.db2.gz PHLHRIGLAFNLLB-YSIASYRMSA-N 1 3 359.514 2.506 20 0 FFADHO COc1ccc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(Br)c1O ZINC001279709245 969435760 /nfs/dbraw/zinc/43/57/60/969435760.db2.gz CHTCZWXDUXTLAT-BETUJISGSA-N 1 3 369.303 2.937 20 0 FFADHO COc1ccc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(Br)c1O ZINC001279709245 969435762 /nfs/dbraw/zinc/43/57/62/969435762.db2.gz CHTCZWXDUXTLAT-BETUJISGSA-N 1 3 369.303 2.937 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000659034210 969651575 /nfs/dbraw/zinc/65/15/75/969651575.db2.gz BAJYUGBKXQQDEJ-HXUWFJFHSA-N 1 3 372.513 2.830 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000659034210 969651579 /nfs/dbraw/zinc/65/15/79/969651579.db2.gz BAJYUGBKXQQDEJ-HXUWFJFHSA-N 1 3 372.513 2.830 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000659035366 969654543 /nfs/dbraw/zinc/65/45/43/969654543.db2.gz JUEJDKQFUXOXRP-HXUWFJFHSA-N 1 3 372.513 2.876 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659038215 969656836 /nfs/dbraw/zinc/65/68/36/969656836.db2.gz NDZSDDXIKYQVMN-FQEVSTJZSA-N 1 3 374.529 2.933 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000874831983 1013910469 /nfs/dbraw/zinc/91/04/69/1013910469.db2.gz BPZRFQADYBKERJ-VQTJNVASSA-N 1 3 355.526 2.984 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659317306 969824791 /nfs/dbraw/zinc/82/47/91/969824791.db2.gz JXGPJALKPYHGAN-HXUWFJFHSA-N 1 3 355.457 2.951 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000659426915 969917550 /nfs/dbraw/zinc/91/75/50/969917550.db2.gz GZPBGFNOWZZWEH-SFTDATJTSA-N 1 3 372.557 2.581 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001112005031 969921148 /nfs/dbraw/zinc/92/11/48/969921148.db2.gz SRUUZAHOICUZGH-RDJZCZTQSA-N 1 3 361.452 2.786 20 0 FFADHO N[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[C@H]1F ZINC000659444304 969934236 /nfs/dbraw/zinc/93/42/36/969934236.db2.gz CRLPWKCZNQLHPP-RTBURBONSA-N 1 3 362.493 2.643 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001104641305 970010655 /nfs/dbraw/zinc/01/06/55/970010655.db2.gz KVXVDEACXMWGRW-RBSFLKMASA-N 1 3 351.457 2.599 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CCNC/C(Cl)=C/Cl ZINC001104676584 970084411 /nfs/dbraw/zinc/08/44/11/970084411.db2.gz QMEGBAXBFHMXKT-UWUXGOOGSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CCNC/C(Cl)=C/Cl ZINC001104676584 970084423 /nfs/dbraw/zinc/08/44/23/970084423.db2.gz QMEGBAXBFHMXKT-UWUXGOOGSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001104679543 970087909 /nfs/dbraw/zinc/08/79/09/970087909.db2.gz JVTFIJCPRVVBQS-NLWGTHIKSA-N 1 3 361.574 2.983 20 0 FFADHO Cc1cccc(C)c1C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728933 970181779 /nfs/dbraw/zinc/18/17/79/970181779.db2.gz IMCFKVHVABJKPC-QZTJIDSGSA-N 1 3 354.498 2.843 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665366716 970395850 /nfs/dbraw/zinc/39/58/50/970395850.db2.gz GITXESCBXUXJSK-QGZVFWFLSA-N 1 3 364.509 2.772 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893001418 970487522 /nfs/dbraw/zinc/48/75/22/970487522.db2.gz MPESCECXWYCHFJ-NRFANRHFSA-N 1 3 370.541 2.967 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651623514 972759543 /nfs/dbraw/zinc/75/95/43/972759543.db2.gz IBXALIIXPQBTKW-UHFFFAOYSA-N 1 3 372.513 2.744 20 0 FFADHO CCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106585 972824677 /nfs/dbraw/zinc/82/46/77/972824677.db2.gz IGKQPSGSWFXAIN-QIJUGHKUSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106585 972824685 /nfs/dbraw/zinc/82/46/85/972824685.db2.gz IGKQPSGSWFXAIN-QIJUGHKUSA-N 1 3 369.553 2.871 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)CC[C@@H]2C1 ZINC001088121374 972920216 /nfs/dbraw/zinc/92/02/16/972920216.db2.gz CFEKHNQXUNEQAG-PMPSAXMXSA-N 1 3 366.456 2.558 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)CC[C@@H]2C1 ZINC001088121374 972920222 /nfs/dbraw/zinc/92/02/22/972920222.db2.gz CFEKHNQXUNEQAG-PMPSAXMXSA-N 1 3 366.456 2.558 20 0 FFADHO CCCN(C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[C@@H]1CCN(C)C1 ZINC000876068416 1014120643 /nfs/dbraw/zinc/12/06/43/1014120643.db2.gz OVRXOTRUPAXYAG-HXUWFJFHSA-N 1 3 372.557 2.776 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4Cl)C[C@H]3C2)C1 ZINC001088199984 973623115 /nfs/dbraw/zinc/62/31/15/973623115.db2.gz KYHFLMOFQSJRAE-NJAFHUGGSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4Cl)C[C@H]3C2)C1 ZINC001088199984 973623116 /nfs/dbraw/zinc/62/31/16/973623116.db2.gz KYHFLMOFQSJRAE-NJAFHUGGSA-N 1 3 361.917 2.572 20 0 FFADHO NC1(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC2(CCC2)C1 ZINC000662755694 973956121 /nfs/dbraw/zinc/95/61/21/973956121.db2.gz FZAZFDJQADJEBA-UHFFFAOYSA-N 1 3 368.525 2.819 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000665757776 974084650 /nfs/dbraw/zinc/08/46/50/974084650.db2.gz WJPFHAHGSVMTSB-CMKODMSKSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000665757776 974084655 /nfs/dbraw/zinc/08/46/55/974084655.db2.gz WJPFHAHGSVMTSB-CMKODMSKSA-N 1 3 360.546 2.846 20 0 FFADHO Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665758739 974089460 /nfs/dbraw/zinc/08/94/60/974089460.db2.gz NUNKDPJGIJZWLM-RBUKOAKNSA-N 1 3 362.562 2.839 20 0 FFADHO Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665758739 974089469 /nfs/dbraw/zinc/08/94/69/974089469.db2.gz NUNKDPJGIJZWLM-RBUKOAKNSA-N 1 3 362.562 2.839 20 0 FFADHO Cc1ccc(F)c(CN(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001029742489 974186438 /nfs/dbraw/zinc/18/64/38/974186438.db2.gz USWSCAUIKFKKCA-ZHALLVOQSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(F)c(CN(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001029742489 974186442 /nfs/dbraw/zinc/18/64/42/974186442.db2.gz USWSCAUIKFKKCA-ZHALLVOQSA-N 1 3 361.505 2.755 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661398191 974218930 /nfs/dbraw/zinc/21/89/30/974218930.db2.gz ONXPRJQWZDPBJU-IBGZPJMESA-N 1 3 358.530 2.954 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C3(O)CC3)CC2)CC1 ZINC000651877678 974327114 /nfs/dbraw/zinc/32/71/14/974327114.db2.gz BMOJCWAOZOGTNW-UHFFFAOYSA-N 1 3 357.542 2.956 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000661955293 975012642 /nfs/dbraw/zinc/01/26/42/975012642.db2.gz FMLIUHMBCFFGOI-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000661955293 975012649 /nfs/dbraw/zinc/01/26/49/975012649.db2.gz FMLIUHMBCFFGOI-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cccc(CN4CCCC4)c3)C2)C1 ZINC000653185023 1014252767 /nfs/dbraw/zinc/25/27/67/1014252767.db2.gz VPHZNNXLUHUXCG-HBMCJLEFSA-N 1 3 371.525 2.641 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)N2CCCC2)c1 ZINC000662344665 975447257 /nfs/dbraw/zinc/44/72/57/975447257.db2.gz ZNBRZSVLUHPFSY-PXNSSMCTSA-N 1 3 361.530 2.959 20 0 FFADHO CC[C@@H]([NH2+]C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000662505046 975659014 /nfs/dbraw/zinc/65/90/14/975659014.db2.gz CVKGTJSNZFHVNF-ZWKOTPCHSA-N 1 3 355.486 2.575 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C(C)(C)N)no1)c1cccc(OC)c1 ZINC000662671602 975810250 /nfs/dbraw/zinc/81/02/50/975810250.db2.gz VUNHGCLEYXHGAY-INIZCTEOSA-N 1 3 374.485 2.690 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681381 976716902 /nfs/dbraw/zinc/71/69/02/976716902.db2.gz HQEJZEBCHHJBTE-RTWAWAEBSA-N 1 3 362.514 2.787 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000898990334 976835466 /nfs/dbraw/zinc/83/54/66/976835466.db2.gz HKHISKKVCAPGKG-NRFANRHFSA-N 1 3 373.541 2.973 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cccc(F)c2)CC3)CC[N@@H+]1C ZINC000990759498 976931470 /nfs/dbraw/zinc/93/14/70/976931470.db2.gz CHXRQIPXUGFUIF-KBMWQNTOSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cccc(F)c2)CC3)CC[N@H+]1C ZINC000990759498 976931478 /nfs/dbraw/zinc/93/14/78/976931478.db2.gz CHXRQIPXUGFUIF-KBMWQNTOSA-N 1 3 359.489 2.779 20 0 FFADHO COc1cccc([C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000876709470 1014358673 /nfs/dbraw/zinc/35/86/73/1014358673.db2.gz RQRHAGCODYHMOY-ODBONLNUSA-N 1 3 357.498 2.504 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2ccccn2)C1 ZINC001211702835 976988374 /nfs/dbraw/zinc/98/83/74/976988374.db2.gz GYBNBXFCDBUPKV-LEWJYISDSA-N 1 3 366.509 2.508 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2ccccn2)C1 ZINC001211702835 976988387 /nfs/dbraw/zinc/98/83/87/976988387.db2.gz GYBNBXFCDBUPKV-LEWJYISDSA-N 1 3 366.509 2.508 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)C1 ZINC001211707560 977318432 /nfs/dbraw/zinc/31/84/32/977318432.db2.gz ZIIFGZQMPQAHQQ-NRLBGXQRSA-N 1 3 361.917 2.665 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)C1 ZINC001211707560 977318436 /nfs/dbraw/zinc/31/84/36/977318436.db2.gz ZIIFGZQMPQAHQQ-NRLBGXQRSA-N 1 3 361.917 2.665 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[C@H]3CCCN4C)CC2)CC1 ZINC000893814933 977555370 /nfs/dbraw/zinc/55/53/70/977555370.db2.gz YRYKAMKGXXSNLO-GHBBCFCZSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894064288 977651987 /nfs/dbraw/zinc/65/19/87/977651987.db2.gz RSJOPGAJIMKKOB-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894064288 977651991 /nfs/dbraw/zinc/65/19/91/977651991.db2.gz RSJOPGAJIMKKOB-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152233095 977805274 /nfs/dbraw/zinc/80/52/74/977805274.db2.gz PCXAVAVPRFPMLF-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)N1CCN(C)CC1 ZINC000877022984 1014452956 /nfs/dbraw/zinc/45/29/56/1014452956.db2.gz ZFLSUPFLDHMORM-UZKOGDIHSA-N 1 3 356.558 2.580 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000894233693 978359493 /nfs/dbraw/zinc/35/94/93/978359493.db2.gz QYQINQYEKKPJNK-UTKZUKDTSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000796427181 1014529269 /nfs/dbraw/zinc/52/92/69/1014529269.db2.gz BQCHUMFNXPTERX-MSOLQXFVSA-N 1 3 367.484 2.846 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3cnc4c(F)cccc4c3)CC2)CC1 ZINC000877525294 1014613312 /nfs/dbraw/zinc/61/33/12/1014613312.db2.gz YDPRSFDKCQVVNW-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904320586 980241857 /nfs/dbraw/zinc/24/18/57/980241857.db2.gz LYMGYRGQTFYEIX-FQEVSTJZSA-N 1 3 374.554 2.638 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904576390 980304712 /nfs/dbraw/zinc/30/47/12/980304712.db2.gz HRDHFGDJCNJLOB-UHFFFAOYSA-N 1 3 355.486 2.871 20 0 FFADHO Cc1cccnc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211914455 980769075 /nfs/dbraw/zinc/76/90/75/980769075.db2.gz AZXMPPUJKXYAOV-KRWDZBQOSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cccnc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211914455 980769080 /nfs/dbraw/zinc/76/90/80/980769080.db2.gz AZXMPPUJKXYAOV-KRWDZBQOSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cnccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211915372 980877685 /nfs/dbraw/zinc/87/76/85/980877685.db2.gz IDCRIGQXDFGUHQ-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cnccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211915372 980877687 /nfs/dbraw/zinc/87/76/87/980877687.db2.gz IDCRIGQXDFGUHQ-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO C[NH+]1CCC(CNCc2cc3c(cn2)OCCO3)(c2ccccc2)CC1 ZINC000877718500 1014699074 /nfs/dbraw/zinc/69/90/74/1014699074.db2.gz KRUIAORNEMJYRQ-UHFFFAOYSA-N 1 3 353.466 2.606 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000729622776 981178897 /nfs/dbraw/zinc/17/88/97/981178897.db2.gz ZUCHOKIPVGUJEQ-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000729622776 981178900 /nfs/dbraw/zinc/17/89/00/981178900.db2.gz ZUCHOKIPVGUJEQ-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc4cc[nH]c4c3)[C@@H]2C)CC[N@@H+]1C ZINC001088577255 981282562 /nfs/dbraw/zinc/28/25/62/981282562.db2.gz JJDNDDFPQDOYIS-RGCFKVTRSA-N 1 3 354.498 2.587 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc4cc[nH]c4c3)[C@@H]2C)CC[N@H+]1C ZINC001088577255 981282565 /nfs/dbraw/zinc/28/25/65/981282565.db2.gz JJDNDDFPQDOYIS-RGCFKVTRSA-N 1 3 354.498 2.587 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@@H+]1CCC(C)(C)C ZINC001088620700 981877489 /nfs/dbraw/zinc/87/74/89/981877489.db2.gz XFVXUFZCVTZJHJ-NEWSRXKRSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@H+]1CCC(C)(C)C ZINC001088620700 981877495 /nfs/dbraw/zinc/87/74/95/981877495.db2.gz XFVXUFZCVTZJHJ-NEWSRXKRSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2nsc3ccccc23)CC[N@@H+]1C ZINC001483467073 982285485 /nfs/dbraw/zinc/28/54/85/982285485.db2.gz SVRKKSKNASEWFM-HUUCEWRRSA-N 1 3 360.527 2.575 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2nsc3ccccc23)CC[N@H+]1C ZINC001483467073 982285495 /nfs/dbraw/zinc/28/54/95/982285495.db2.gz SVRKKSKNASEWFM-HUUCEWRRSA-N 1 3 360.527 2.575 20 0 FFADHO C[C@H]([NH2+]C[C@@]1(c2cnn(C)c2)CCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000898054085 982607508 /nfs/dbraw/zinc/60/75/08/982607508.db2.gz PSZDAUBOCJVRBL-RCZSKKKRSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](NC[C@@]1(c2cnn(C)c2)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898054085 982607511 /nfs/dbraw/zinc/60/75/11/982607511.db2.gz PSZDAUBOCJVRBL-RCZSKKKRSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](NC[C@@]1(c2cnn(C)c2)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898054085 982607515 /nfs/dbraw/zinc/60/75/15/982607515.db2.gz PSZDAUBOCJVRBL-RCZSKKKRSA-N 1 3 368.525 2.926 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC000666920563 982824473 /nfs/dbraw/zinc/82/44/73/982824473.db2.gz XZWIWKNDJLDYNM-LJQANCHMSA-N 1 3 353.470 2.531 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC000666920563 982824490 /nfs/dbraw/zinc/82/44/90/982824490.db2.gz XZWIWKNDJLDYNM-LJQANCHMSA-N 1 3 353.470 2.531 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666923998 982922688 /nfs/dbraw/zinc/92/26/88/982922688.db2.gz WLYQUZSVGFFVHF-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666923998 982922690 /nfs/dbraw/zinc/92/26/90/982922690.db2.gz WLYQUZSVGFFVHF-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CCc1ccc(CCN2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)cc1 ZINC001088702909 983018487 /nfs/dbraw/zinc/01/84/87/983018487.db2.gz QDRFAVVBNXGKRT-NQIIRXRSSA-N 1 3 369.553 2.999 20 0 FFADHO C[C@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CCN1c1cc[nH+]cc1 ZINC000878183049 1014903797 /nfs/dbraw/zinc/90/37/97/1014903797.db2.gz VUELUXWPXSWHIC-INIZCTEOSA-N 1 3 353.470 2.886 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)c1cccc(OC)c1 ZINC000668899828 983909369 /nfs/dbraw/zinc/90/93/69/983909369.db2.gz ARHSLZDLZXHOSM-IEBWSBKVSA-N 1 3 362.518 2.519 20 0 FFADHO C[C@H]1CN(Cc2cn3ccc(Br)cc3n2)CCC[C@H]1C[NH3+] ZINC001206014024 1032107437 /nfs/dbraw/zinc/10/74/37/1032107437.db2.gz VDXMKTQOYNIOBZ-STQMWFEESA-N 1 3 351.292 2.904 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccc(F)c(F)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828614 984142276 /nfs/dbraw/zinc/14/22/76/984142276.db2.gz ZTMOFAGRRHIFCS-SIIHOXLZSA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccc(F)c(F)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995828614 984142279 /nfs/dbraw/zinc/14/22/79/984142279.db2.gz ZTMOFAGRRHIFCS-SIIHOXLZSA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1CN(Cc2cn3cc(Br)ccc3n2)CCC[C@H]1C[NH3+] ZINC001206011502 1032108308 /nfs/dbraw/zinc/10/83/08/1032108308.db2.gz CWEMJEJUTROKTN-OLZOCXBDSA-N 1 3 351.292 2.904 20 0 FFADHO COc1ccc2c(c1)nccc2N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764184859 984360025 /nfs/dbraw/zinc/36/00/25/984360025.db2.gz BRWGIQFAKYYVND-JXFKEZNVSA-N 1 3 354.498 2.706 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2)C1CC1 ZINC001107438538 984539000 /nfs/dbraw/zinc/53/90/00/984539000.db2.gz DPROIIUQCFSZGH-ZHALLVOQSA-N 1 3 369.500 2.733 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2)C1CC1 ZINC001107438538 984539001 /nfs/dbraw/zinc/53/90/01/984539001.db2.gz DPROIIUQCFSZGH-ZHALLVOQSA-N 1 3 369.500 2.733 20 0 FFADHO Cc1cccnc1C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438776 984540189 /nfs/dbraw/zinc/54/01/89/984540189.db2.gz IWTVGSGYPHUDPT-IFMALSPDSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cccnc1C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438776 984540191 /nfs/dbraw/zinc/54/01/91/984540191.db2.gz IWTVGSGYPHUDPT-IFMALSPDSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000669419023 984559515 /nfs/dbraw/zinc/55/95/15/984559515.db2.gz YYOIUVRJMLNINJ-HXUWFJFHSA-N 1 3 352.482 2.700 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCCOC1)CC2 ZINC001107457606 984562153 /nfs/dbraw/zinc/56/21/53/984562153.db2.gz FNQLTONSSFVLLP-DBXWQHBBSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H]1CCCOC1)CC2 ZINC001107457606 984562154 /nfs/dbraw/zinc/56/21/54/984562154.db2.gz FNQLTONSSFVLLP-DBXWQHBBSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000669483846 984651849 /nfs/dbraw/zinc/65/18/49/984651849.db2.gz PCICHFFSTXJBEP-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483710 984653072 /nfs/dbraw/zinc/65/30/72/984653072.db2.gz JBVOZSNPXQYICL-ICSRJNTNSA-N 1 3 358.530 2.984 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@@H]1CCCCO1)CC2 ZINC001107582056 984731333 /nfs/dbraw/zinc/73/13/33/984731333.db2.gz UICXUWGCWKGCBE-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@@H]1CCCCO1)CC2 ZINC001107582056 984731339 /nfs/dbraw/zinc/73/13/39/984731339.db2.gz UICXUWGCWKGCBE-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000669545759 984759875 /nfs/dbraw/zinc/75/98/75/984759875.db2.gz CJWQYKDYFJPHTH-IVAOSVALSA-N 1 3 370.541 2.853 20 0 FFADHO CC[C@@H]1CN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC[C@@H]1[NH3+] ZINC000669562594 984784926 /nfs/dbraw/zinc/78/49/26/984784926.db2.gz VRSJNLWDDJXVOQ-HSALFYBXSA-N 1 3 360.546 2.912 20 0 FFADHO C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2 ZINC001107613827 984813998 /nfs/dbraw/zinc/81/39/98/984813998.db2.gz ADRGCKVUSZNTGZ-IEBWSBKVSA-N 1 3 364.559 2.736 20 0 FFADHO [NH3+]CC[C@@H]1CN(c2cncc(OCCN3CCCC3)n2)c2ccccc21 ZINC001168543333 985187202 /nfs/dbraw/zinc/18/72/02/985187202.db2.gz AGNQLDNWYTXQRY-MRXNPFEDSA-N 1 3 353.470 2.535 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765758984 985511160 /nfs/dbraw/zinc/51/11/60/985511160.db2.gz RUYMCBJPXZFFGS-RTBURBONSA-N 1 3 355.530 2.797 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765758982 985511225 /nfs/dbraw/zinc/51/12/25/985511225.db2.gz RUYMCBJPXZFFGS-OALUTQOASA-N 1 3 355.530 2.797 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765758983 985511488 /nfs/dbraw/zinc/51/14/88/985511488.db2.gz RUYMCBJPXZFFGS-RBUKOAKNSA-N 1 3 355.530 2.797 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C(F)F)cc1 ZINC001089039184 986058996 /nfs/dbraw/zinc/05/89/96/986058996.db2.gz ZDYUXTOJDXQNJC-COXVUDFISA-N 1 3 351.441 2.655 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C(F)F)cc1 ZINC001089039184 986059009 /nfs/dbraw/zinc/05/90/09/986059009.db2.gz ZDYUXTOJDXQNJC-COXVUDFISA-N 1 3 351.441 2.655 20 0 FFADHO C#CCN1CCC(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000075630671 986993599 /nfs/dbraw/zinc/99/35/99/986993599.db2.gz NAUYPVOXGLGSNO-OAQYLSRUSA-N 1 3 353.510 2.675 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCOC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001002860284 987553941 /nfs/dbraw/zinc/55/39/41/987553941.db2.gz LBGQUWPRLIAVQJ-YLJYHZDGSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCOC3CCCCCC3)CC2)CC[N@H+]1C ZINC001002860284 987553949 /nfs/dbraw/zinc/55/39/49/987553949.db2.gz LBGQUWPRLIAVQJ-YLJYHZDGSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106198950 987628737 /nfs/dbraw/zinc/62/87/37/987628737.db2.gz UDBINJQZBYPUKG-QGZZOQETSA-N 1 3 368.324 2.669 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000672942825 987685438 /nfs/dbraw/zinc/68/54/38/987685438.db2.gz LRJHHCSYUOTPBK-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001106249229 987756270 /nfs/dbraw/zinc/75/62/70/987756270.db2.gz CVMUMMQMWRQVRU-PMTHEBNHSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCc1ccccc1 ZINC001106249404 987756303 /nfs/dbraw/zinc/75/63/03/987756303.db2.gz GMQJFSMUWFXBJN-UIFIKXQLSA-N 1 3 357.542 2.644 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2c(F)cccc2F)[C@H](C)C1)N(C)C ZINC001106312590 987945485 /nfs/dbraw/zinc/94/54/85/987945485.db2.gz JNIKFIKYHSEWQB-SPYBWZPUSA-N 1 3 367.484 2.532 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1)N(C)C ZINC001106312958 987946242 /nfs/dbraw/zinc/94/62/42/987946242.db2.gz QHWSDFXKVUFCFY-KBAYOESNSA-N 1 3 351.560 2.705 20 0 FFADHO CCOc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC000657345761 987958631 /nfs/dbraw/zinc/95/86/31/987958631.db2.gz YMOWCYGERFVUNA-UHFFFAOYSA-N 1 3 369.509 2.975 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC001085196549 988271637 /nfs/dbraw/zinc/27/16/37/988271637.db2.gz DKRMMWFFBCCAHB-KZNAEPCWSA-N 1 3 364.559 2.575 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001106633580 988538521 /nfs/dbraw/zinc/53/85/21/988538521.db2.gz NKBYBPSZFHYJGW-HMXCVIKNSA-N 1 3 359.558 2.808 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@@H]1C(C)C ZINC000922395313 988545239 /nfs/dbraw/zinc/54/52/39/988545239.db2.gz UYMUXFNNLZOCEQ-JYBIWHBTSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@@H]1C(C)C ZINC000922395313 988545246 /nfs/dbraw/zinc/54/52/46/988545246.db2.gz UYMUXFNNLZOCEQ-JYBIWHBTSA-N 1 3 358.486 2.629 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1)N(C)C ZINC001106635265 988550061 /nfs/dbraw/zinc/55/00/61/988550061.db2.gz VXXVLNYQZUUUJS-ZSGKNINISA-N 1 3 357.542 2.970 20 0 FFADHO CN(C)CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000193558192 988592627 /nfs/dbraw/zinc/59/26/27/988592627.db2.gz HFBCFKFLCNHBPW-UHFFFAOYSA-N 1 3 366.509 2.505 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1)N(C)C ZINC001106673531 988617885 /nfs/dbraw/zinc/61/78/85/988617885.db2.gz GTCXLTGBSHEZBF-OGWOLHLISA-N 1 3 367.484 2.532 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001106672383 988620952 /nfs/dbraw/zinc/62/09/52/988620952.db2.gz SIKIPQPFUQDIMA-UYAOXDASSA-N 1 3 359.558 2.891 20 0 FFADHO CCCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729141 988789647 /nfs/dbraw/zinc/78/96/47/988789647.db2.gz JWDJTQUMALVSED-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](C)C1 ZINC001106775666 989019398 /nfs/dbraw/zinc/01/93/98/989019398.db2.gz XHPPQVSBNOXPHN-RTBURBONSA-N 1 3 360.546 2.778 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](CNCc2cnc(C)o2)[C@H](C)C1)C(C)C ZINC001106776048 989021188 /nfs/dbraw/zinc/02/11/88/989021188.db2.gz BMEQULBHWIZAJU-SUMDDJOVSA-N 1 3 364.534 2.534 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1)C(C)C ZINC001106776102 989021315 /nfs/dbraw/zinc/02/13/15/989021315.db2.gz DRSVOSUGVWVBHI-NUJGCVRESA-N 1 3 366.575 2.694 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000673769591 989252853 /nfs/dbraw/zinc/25/28/53/989252853.db2.gz BCRMUYXTKGYQKG-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000673769591 989252859 /nfs/dbraw/zinc/25/28/59/989252859.db2.gz BCRMUYXTKGYQKG-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439240 989587605 /nfs/dbraw/zinc/58/76/05/989587605.db2.gz AAVMEPMSXKAQQJ-NJYVYQBISA-N 1 3 355.526 2.831 20 0 FFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439240 989587607 /nfs/dbraw/zinc/58/76/07/989587607.db2.gz AAVMEPMSXKAQQJ-NJYVYQBISA-N 1 3 355.526 2.831 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652309607 1015522185 /nfs/dbraw/zinc/52/21/85/1015522185.db2.gz FOBSNNLIJINGKN-UHFFFAOYSA-N 1 3 358.530 2.602 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000675113692 990053671 /nfs/dbraw/zinc/05/36/71/990053671.db2.gz ODSVNQOYEDXECF-GHTZIAJQSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000675113692 990053679 /nfs/dbraw/zinc/05/36/79/990053679.db2.gz ODSVNQOYEDXECF-GHTZIAJQSA-N 1 3 370.541 2.695 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000675197532 990106198 /nfs/dbraw/zinc/10/61/98/990106198.db2.gz ORXMETQKRPBNNX-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000675200680 990108349 /nfs/dbraw/zinc/10/83/49/990108349.db2.gz VRVHJTLWYFLPSU-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000652361501 1015541830 /nfs/dbraw/zinc/54/18/30/1015541830.db2.gz JEFARFFVGPKZSD-HMXCVIKNSA-N 1 3 371.525 2.538 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000925438422 990212155 /nfs/dbraw/zinc/21/21/55/990212155.db2.gz AKGPKXYEOFMPQB-VYMRPNJYSA-N 1 3 369.550 2.769 20 0 FFADHO C[C@H](CNC(=O)N(CCc1ccccc1)CCN(C)C)C[NH+]1CCCCC1 ZINC000918104566 990336682 /nfs/dbraw/zinc/33/66/82/990336682.db2.gz RKYYRVRBMYHEME-HXUWFJFHSA-N 1 3 374.573 2.924 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134910374 991123790 /nfs/dbraw/zinc/12/37/90/991123790.db2.gz GBPYSIRRGBHDQC-SYYKKAFVSA-N 1 3 358.526 2.992 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134910374 991123794 /nfs/dbraw/zinc/12/37/94/991123794.db2.gz GBPYSIRRGBHDQC-SYYKKAFVSA-N 1 3 358.526 2.992 20 0 FFADHO CN(C(=O)CN1CC[C@@H](CC[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000923489705 991185684 /nfs/dbraw/zinc/18/56/84/991185684.db2.gz GKXOYCCQBQNWNK-GOSISDBHSA-N 1 3 351.494 2.905 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923498671 991193180 /nfs/dbraw/zinc/19/31/80/991193180.db2.gz KOUWEMPXWXOLQO-POAQFYNOSA-N 1 3 359.514 2.666 20 0 FFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001079707891 992348454 /nfs/dbraw/zinc/34/84/54/992348454.db2.gz YDRZLVJBSJZGHU-MAODMQOUSA-N 1 3 355.526 2.527 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001079805541 992458820 /nfs/dbraw/zinc/45/88/20/992458820.db2.gz VEQBIAPCQTYPTH-HMXCVIKNSA-N 1 3 357.542 2.848 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001079805541 992458826 /nfs/dbraw/zinc/45/88/26/992458826.db2.gz VEQBIAPCQTYPTH-HMXCVIKNSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000671120124 992649740 /nfs/dbraw/zinc/64/97/40/992649740.db2.gz OLXBJSFWFAIMSB-DOIPELPJSA-N 1 3 353.514 2.947 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080038661 992688430 /nfs/dbraw/zinc/68/84/30/992688430.db2.gz JBTGRLGDMZHXFG-UYAOXDASSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080038661 992688433 /nfs/dbraw/zinc/68/84/33/992688433.db2.gz JBTGRLGDMZHXFG-UYAOXDASSA-N 1 3 355.526 2.684 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC001107040501 993293654 /nfs/dbraw/zinc/29/36/54/993293654.db2.gz HDEPTYGTBHNQAX-XQBPLPMBSA-N 1 3 371.569 2.816 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935359 993489697 /nfs/dbraw/zinc/48/96/97/993489697.db2.gz RIDRGZZOPHYOLV-QGPMSJSTSA-N 1 3 357.523 2.790 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935359 993489699 /nfs/dbraw/zinc/48/96/99/993489699.db2.gz RIDRGZZOPHYOLV-QGPMSJSTSA-N 1 3 357.523 2.790 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1 ZINC001081179725 993740273 /nfs/dbraw/zinc/74/02/73/993740273.db2.gz GVYQXKHOCUOYPV-JRGCBEDISA-N 1 3 355.526 2.855 20 0 FFADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CCCC2)CC1 ZINC001131583135 994428441 /nfs/dbraw/zinc/42/84/41/994428441.db2.gz RISOYJAGWTUPET-CTNGQTDRSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1CC[C@@H](C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000809607370 994547673 /nfs/dbraw/zinc/54/76/73/994547673.db2.gz YAOBMSSCHCNIQY-FQEVSTJZSA-N 1 3 359.514 2.967 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccnc(Cl)c1 ZINC001082570803 994967921 /nfs/dbraw/zinc/96/79/21/994967921.db2.gz ZKAIQDBATZARBK-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCc1ccnc(Cl)c1 ZINC001082570803 994967932 /nfs/dbraw/zinc/96/79/32/994967932.db2.gz ZKAIQDBATZARBK-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001082575115 994996908 /nfs/dbraw/zinc/99/69/08/994996908.db2.gz LXXMIHCZSZEDQU-UIFIKXQLSA-N 1 3 359.558 2.814 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001082612347 995087985 /nfs/dbraw/zinc/08/79/85/995087985.db2.gz IRJITRJDWIUPCL-DJIMGWMZSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001082612347 995087993 /nfs/dbraw/zinc/08/79/93/995087993.db2.gz IRJITRJDWIUPCL-DJIMGWMZSA-N 1 3 364.559 2.508 20 0 FFADHO CC(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042120 1015927371 /nfs/dbraw/zinc/92/73/71/1015927371.db2.gz OUJKKHLEGNAUDA-JRGCBEDISA-N 1 3 357.542 2.916 20 0 FFADHO CC(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042120 1015927384 /nfs/dbraw/zinc/92/73/84/1015927384.db2.gz OUJKKHLEGNAUDA-JRGCBEDISA-N 1 3 357.542 2.916 20 0 FFADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000903492959 1015930936 /nfs/dbraw/zinc/93/09/36/1015930936.db2.gz MWDJYXOMEWYSOK-WRXMGDCGSA-N 1 3 355.438 2.615 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1ccccc1OC1CC1 ZINC001082719844 995351156 /nfs/dbraw/zinc/35/11/56/995351156.db2.gz PJJVYJSDEPGWFN-OXQOHEQNSA-N 1 3 371.525 2.506 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001082741328 995395796 /nfs/dbraw/zinc/39/57/96/995395796.db2.gz XQASVMPOZXNOTQ-FUHIMQAGSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001082741328 995395802 /nfs/dbraw/zinc/39/58/02/995395802.db2.gz XQASVMPOZXNOTQ-FUHIMQAGSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccc(Cl)cc3)C2)C1 ZINC001082742469 995400525 /nfs/dbraw/zinc/40/05/25/995400525.db2.gz GYQLMGUAKSRAFS-GPMSIDNRSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC001082766538 995450009 /nfs/dbraw/zinc/45/00/09/995450009.db2.gz DNHCXHAPIZLZBG-CXAGYDPISA-N 1 3 354.479 2.804 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001082943459 995881697 /nfs/dbraw/zinc/88/16/97/995881697.db2.gz JSLQLKHXAYHFIO-AHRSYUTCSA-N 1 3 361.505 2.967 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c(C)c1 ZINC001084349358 996476814 /nfs/dbraw/zinc/47/68/14/996476814.db2.gz IJHUVLZSILCXBN-BHIFYINESA-N 1 3 367.537 2.678 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084349489 996476850 /nfs/dbraw/zinc/47/68/50/996476850.db2.gz OEJPTLVKTMXOLJ-BAGYTPMASA-N 1 3 367.537 2.678 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001084355304 996482100 /nfs/dbraw/zinc/48/21/00/996482100.db2.gz QWDOMEZGAGVTOK-CWJKEVGVSA-N 1 3 355.526 2.676 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001084355304 996482101 /nfs/dbraw/zinc/48/21/01/996482101.db2.gz QWDOMEZGAGVTOK-CWJKEVGVSA-N 1 3 355.526 2.676 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001084388744 996530307 /nfs/dbraw/zinc/53/03/07/996530307.db2.gz CQZKIUREPQCGLI-NJDAHSKKSA-N 1 3 355.526 2.902 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001084388744 996530314 /nfs/dbraw/zinc/53/03/14/996530314.db2.gz CQZKIUREPQCGLI-NJDAHSKKSA-N 1 3 355.526 2.902 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(n3)CCCC4)CC2)CC1 ZINC000880948853 1016045003 /nfs/dbraw/zinc/04/50/03/1016045003.db2.gz JTFJCCKAOHQNOS-UHFFFAOYSA-N 1 3 371.529 2.641 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001137036053 997352345 /nfs/dbraw/zinc/35/23/45/997352345.db2.gz PZNWRNSNLIECRA-UHFFFAOYSA-N 1 3 352.482 2.973 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001137036053 997352357 /nfs/dbraw/zinc/35/23/57/997352357.db2.gz PZNWRNSNLIECRA-UHFFFAOYSA-N 1 3 352.482 2.973 20 0 FFADHO CCCN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000843989469 997566250 /nfs/dbraw/zinc/56/62/50/997566250.db2.gz OKYLKKICHQMFIS-POGDKVGISA-N 1 3 359.514 2.583 20 0 FFADHO c1cc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc2c1OCO2 ZINC000677237110 1016135896 /nfs/dbraw/zinc/13/58/96/1016135896.db2.gz AVUXKPXFCFUMQH-ROUUACIJSA-N 1 3 358.482 2.680 20 0 FFADHO c1cc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc2c1OCO2 ZINC000677237110 1016135901 /nfs/dbraw/zinc/13/59/01/1016135901.db2.gz AVUXKPXFCFUMQH-ROUUACIJSA-N 1 3 358.482 2.680 20 0 FFADHO c1ccc(-c2noc(C3CCN(C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)CC3)n2)cc1 ZINC000903730764 1016158587 /nfs/dbraw/zinc/15/85/87/1016158587.db2.gz YXWAMKHBCCDJRU-WIYYLYMNSA-N 1 3 368.481 2.685 20 0 FFADHO CCN1CCCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000881136013 1016173249 /nfs/dbraw/zinc/17/32/49/1016173249.db2.gz DOKPZKGOTALBTH-HXUWFJFHSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000881136013 1016173255 /nfs/dbraw/zinc/17/32/55/1016173255.db2.gz DOKPZKGOTALBTH-HXUWFJFHSA-N 1 3 371.529 2.531 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001084939058 998233567 /nfs/dbraw/zinc/23/35/67/998233567.db2.gz QIXXQUHUJLAQPE-NJYVYQBISA-N 1 3 355.526 2.982 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001084939058 998233576 /nfs/dbraw/zinc/23/35/76/998233576.db2.gz QIXXQUHUJLAQPE-NJYVYQBISA-N 1 3 355.526 2.982 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cc(Cl)ccc3F)C2)CC[N@@H+]1C ZINC001091036145 998251207 /nfs/dbraw/zinc/25/12/07/998251207.db2.gz VXRAYHRKTFSWHJ-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cc(Cl)ccc3F)C2)CC[N@H+]1C ZINC001091036145 998251215 /nfs/dbraw/zinc/25/12/15/998251215.db2.gz VXRAYHRKTFSWHJ-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789138 1016201347 /nfs/dbraw/zinc/20/13/47/1016201347.db2.gz PTKXWXIBMCFFJM-YJBOKZPZSA-N 1 3 359.514 2.712 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100527 998945153 /nfs/dbraw/zinc/94/51/53/998945153.db2.gz KEVLJXYTVNXQTL-CTNGQTDRSA-N 1 3 370.541 2.689 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085203837 999157819 /nfs/dbraw/zinc/15/78/19/999157819.db2.gz FJFLSSKJIWVUOS-MOIQIXESSA-N 1 3 364.559 2.617 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085203837 999157821 /nfs/dbraw/zinc/15/78/21/999157821.db2.gz FJFLSSKJIWVUOS-MOIQIXESSA-N 1 3 364.559 2.617 20 0 FFADHO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896998 1016294076 /nfs/dbraw/zinc/29/40/76/1016294076.db2.gz XJCDGYMOSYRPFD-RGPMPMONSA-N 1 3 357.498 2.937 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)CC1 ZINC001085380783 999432599 /nfs/dbraw/zinc/43/25/99/999432599.db2.gz QFDBUQZMPJCDPO-QZTJIDSGSA-N 1 3 364.559 2.781 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F)C12CC[NH+](CC1)C2 ZINC001085394828 999450967 /nfs/dbraw/zinc/45/09/67/999450967.db2.gz GLHLJYQNMPVWFT-QZTJIDSGSA-N 1 3 363.452 2.578 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001085432360 999516415 /nfs/dbraw/zinc/51/64/15/999516415.db2.gz VBOHAWMFHPELLV-NHCUHLMSSA-N 1 3 366.509 2.974 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)cnn1C ZINC000903987584 1016362468 /nfs/dbraw/zinc/36/24/68/1016362468.db2.gz HMJLSLSIMJNLMC-HZPDHXFCSA-N 1 3 373.570 2.671 20 0 FFADHO COc1ccc(CN2CC[C@@H](N3CCC([NH3+])(CC4CC4)CC3)CC2=O)cc1 ZINC001168916336 1000008878 /nfs/dbraw/zinc/00/88/78/1000008878.db2.gz RBIBNDLVFSDWGL-LJQANCHMSA-N 1 3 371.525 2.780 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CO1 ZINC001169329853 1000040514 /nfs/dbraw/zinc/04/05/14/1000040514.db2.gz TVUXVRHECIMPFW-FCMAGTKHSA-N 1 3 372.509 2.597 20 0 FFADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109472767 1000530102 /nfs/dbraw/zinc/53/01/02/1000530102.db2.gz DOMFOJYHNHYDBI-NQYYFHDYSA-N 1 3 365.562 2.522 20 0 FFADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472767 1000530107 /nfs/dbraw/zinc/53/01/07/1000530107.db2.gz DOMFOJYHNHYDBI-NQYYFHDYSA-N 1 3 365.562 2.522 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650008 1000779852 /nfs/dbraw/zinc/77/98/52/1000779852.db2.gz NRUUSBWJFWWAJQ-AABGKKOBSA-N 1 3 355.526 2.812 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2cc[nH]c2c1 ZINC001109653883 1000789276 /nfs/dbraw/zinc/78/92/76/1000789276.db2.gz LCAXNMLEYSVPHN-HOJAQTOUSA-N 1 3 354.498 2.731 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCOC)C(C)C ZINC001109859954 1001090898 /nfs/dbraw/zinc/09/08/98/1001090898.db2.gz BUMWWJZNVUJQQE-XWSJACJDSA-N 1 3 353.551 2.501 20 0 FFADHO C[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109898849 1001134279 /nfs/dbraw/zinc/13/42/79/1001134279.db2.gz GEXWYEBQKQJFED-OFCAXSSNSA-N 1 3 371.525 2.580 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754445 1001232669 /nfs/dbraw/zinc/23/26/69/1001232669.db2.gz PUJSLEXCTAJPGO-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754445 1001232674 /nfs/dbraw/zinc/23/26/74/1001232674.db2.gz PUJSLEXCTAJPGO-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001112567832 1001498920 /nfs/dbraw/zinc/49/89/20/1001498920.db2.gz KNZOCJZEDWUVLX-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787715145 1001709406 /nfs/dbraw/zinc/70/94/06/1001709406.db2.gz ACGZGPWXAJAKLN-UWVAXJGDSA-N 1 3 369.550 2.553 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787715145 1001709408 /nfs/dbraw/zinc/70/94/08/1001709408.db2.gz ACGZGPWXAJAKLN-UWVAXJGDSA-N 1 3 369.550 2.553 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc[nH]c(=O)c3)cc2)CC1 ZINC000788538526 1001817837 /nfs/dbraw/zinc/81/78/37/1001817837.db2.gz GKCZAEGZGPRDTP-QGZVFWFLSA-N 1 3 354.498 2.776 20 0 FFADHO C[C@@]12CN(Cc3ccc(F)cc3)C[C@@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001091819408 1001959869 /nfs/dbraw/zinc/95/98/69/1001959869.db2.gz XNAYMVHLGDHBCK-NQIIRXRSSA-N 1 3 371.500 2.734 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1)N1CCCC1 ZINC001091910424 1002063061 /nfs/dbraw/zinc/06/30/61/1002063061.db2.gz XBBJRYVJTQJOPX-OFNKIYASSA-N 1 3 369.553 2.884 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1)N1CCCC1 ZINC001091910424 1002063068 /nfs/dbraw/zinc/06/30/68/1002063068.db2.gz XBBJRYVJTQJOPX-OFNKIYASSA-N 1 3 369.553 2.884 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092013133 1002285432 /nfs/dbraw/zinc/28/54/32/1002285432.db2.gz IVQHABKIIYWGAV-LSWJPFSZSA-N 1 3 369.553 2.660 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092013133 1002285440 /nfs/dbraw/zinc/28/54/40/1002285440.db2.gz IVQHABKIIYWGAV-LSWJPFSZSA-N 1 3 369.553 2.660 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001092301763 1002633031 /nfs/dbraw/zinc/63/30/31/1002633031.db2.gz MQGUFEZKHXHWMA-GGPKGHCWSA-N 1 3 361.555 2.903 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001092301763 1002633034 /nfs/dbraw/zinc/63/30/34/1002633034.db2.gz MQGUFEZKHXHWMA-GGPKGHCWSA-N 1 3 361.555 2.903 20 0 FFADHO CC(C)c1cccc(CN2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620453 1003318099 /nfs/dbraw/zinc/31/80/99/1003318099.db2.gz JEBRGLZIBROLTB-SOAMZJECSA-N 1 3 372.557 2.729 20 0 FFADHO CC(C)c1cccc(CN2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](C)C2)n1 ZINC001092620453 1003318109 /nfs/dbraw/zinc/31/81/09/1003318109.db2.gz JEBRGLZIBROLTB-SOAMZJECSA-N 1 3 372.557 2.729 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=S)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000793323830 1003338506 /nfs/dbraw/zinc/33/85/06/1003338506.db2.gz VZWCLHPVEADRDB-NRFANRHFSA-N 1 3 372.582 2.553 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=S)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000793323830 1003338515 /nfs/dbraw/zinc/33/85/15/1003338515.db2.gz VZWCLHPVEADRDB-NRFANRHFSA-N 1 3 372.582 2.553 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1C ZINC001092658206 1003362848 /nfs/dbraw/zinc/36/28/48/1003362848.db2.gz LHWHSWHTOYTXAO-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1C ZINC001092658206 1003362861 /nfs/dbraw/zinc/36/28/61/1003362861.db2.gz LHWHSWHTOYTXAO-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2cccc3c2OC(F)(F)O3)C1 ZINC001191455270 1003851063 /nfs/dbraw/zinc/85/10/63/1003851063.db2.gz WFRLGVONEKSCQP-MRXNPFEDSA-N 1 3 370.440 2.983 20 0 FFADHO [NH3+]C[C@@]1(F)CCCN(Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001205570628 1003950115 /nfs/dbraw/zinc/95/01/15/1003950115.db2.gz MMEFPQLSAGKYCF-OAHLLOKOSA-N 1 3 355.255 2.978 20 0 FFADHO COc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(Br)c1O ZINC001205602777 1004193108 /nfs/dbraw/zinc/19/31/08/1004193108.db2.gz MIIBIZOWJBZPSF-DGCLKSJQSA-N 1 3 357.292 2.970 20 0 FFADHO Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001095625142 1016881055 /nfs/dbraw/zinc/88/10/55/1016881055.db2.gz ZUZZTBOEKGGEKV-FYQPLNBISA-N 1 3 359.489 2.840 20 0 FFADHO Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001095625142 1016881061 /nfs/dbraw/zinc/88/10/61/1016881061.db2.gz ZUZZTBOEKGGEKV-FYQPLNBISA-N 1 3 359.489 2.840 20 0 FFADHO COCc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170524871 1004594498 /nfs/dbraw/zinc/59/44/98/1004594498.db2.gz NYNMPAKUNRDSOC-UHFFFAOYSA-N 1 3 365.481 2.533 20 0 FFADHO C[N@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001170527641 1004635925 /nfs/dbraw/zinc/63/59/25/1004635925.db2.gz NIDCNKASICBTHX-PKTZIBPZSA-N 1 3 371.569 2.736 20 0 FFADHO C[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001170527641 1004635929 /nfs/dbraw/zinc/63/59/29/1004635929.db2.gz NIDCNKASICBTHX-PKTZIBPZSA-N 1 3 371.569 2.736 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001152459121 1004651521 /nfs/dbraw/zinc/65/15/21/1004651521.db2.gz ZEBBCFFNVQYCKQ-BZSNNMDCSA-N 1 3 365.468 2.616 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110661252 1006300038 /nfs/dbraw/zinc/30/00/38/1006300038.db2.gz OHXGARILNGDLBN-NMLBUPMWSA-N 1 3 365.562 2.788 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110661252 1006300049 /nfs/dbraw/zinc/30/00/49/1006300049.db2.gz OHXGARILNGDLBN-NMLBUPMWSA-N 1 3 365.562 2.788 20 0 FFADHO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)N(C)C)C3)c(C)c1 ZINC001110667870 1006377456 /nfs/dbraw/zinc/37/74/56/1006377456.db2.gz NNQDSTRIWZORFG-CGXNFDGLSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C2CC2)N(C)C)C3)c(C)c1 ZINC001110667870 1006377468 /nfs/dbraw/zinc/37/74/68/1006377468.db2.gz NNQDSTRIWZORFG-CGXNFDGLSA-N 1 3 355.526 2.865 20 0 FFADHO CC[NH+](CC)CC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000883160936 1006678489 /nfs/dbraw/zinc/67/84/89/1006678489.db2.gz FMZPDNIKMNLELF-OOKSDGMUSA-N 1 3 369.550 2.599 20 0 FFADHO CC(C)CN1CCC([NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000131209219 1006701411 /nfs/dbraw/zinc/70/14/11/1006701411.db2.gz UYWXMAJBNXMTPK-DENIHFKCSA-N 1 3 359.558 2.986 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)ccc1OC ZINC000775386263 1007637925 /nfs/dbraw/zinc/63/79/25/1007637925.db2.gz PGIFJHSGTDGVBL-ROUUACIJSA-N 1 3 363.546 2.908 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481592 1007643374 /nfs/dbraw/zinc/64/33/74/1007643374.db2.gz XAQFHFFSRMDNMM-VQTJNVASSA-N 1 3 365.562 2.602 20 0 FFADHO CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc(OC)cc(C)n3)C2)ccn1 ZINC000856552685 1007884159 /nfs/dbraw/zinc/88/41/59/1007884159.db2.gz OPEBRTZKYHKHSJ-FQEVSTJZSA-N 1 3 370.497 2.899 20 0 FFADHO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc(OC)cc(C)n3)C2)ccn1 ZINC000856552685 1007884163 /nfs/dbraw/zinc/88/41/63/1007884163.db2.gz OPEBRTZKYHKHSJ-FQEVSTJZSA-N 1 3 370.497 2.899 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CCN(CC[C@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC000856591920 1007902497 /nfs/dbraw/zinc/90/24/97/1007902497.db2.gz RGDNGWKZDWRSIP-TZIWHRDSSA-N 1 3 360.546 2.861 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CCN(CC[C@H]3CCCC[N@H+]3C)C2)ccn1 ZINC000856591920 1007902506 /nfs/dbraw/zinc/90/25/06/1007902506.db2.gz RGDNGWKZDWRSIP-TZIWHRDSSA-N 1 3 360.546 2.861 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819134986 1008039655 /nfs/dbraw/zinc/03/96/55/1008039655.db2.gz QVUFGZVEVHHCME-SQGPQFPESA-N 1 3 369.550 2.601 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819134986 1008039660 /nfs/dbraw/zinc/03/96/60/1008039660.db2.gz QVUFGZVEVHHCME-SQGPQFPESA-N 1 3 369.550 2.601 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1nc2ccccc2[nH]1 ZINC000820075322 1008289825 /nfs/dbraw/zinc/28/98/25/1008289825.db2.gz UYRWMLZMFIRFIA-HOTGVXAUSA-N 1 3 374.533 2.585 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1nc2ccccc2[nH]1 ZINC000820075322 1008289831 /nfs/dbraw/zinc/28/98/31/1008289831.db2.gz UYRWMLZMFIRFIA-HOTGVXAUSA-N 1 3 374.533 2.585 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(OCC(N)=O)cc2)[C@H]1c1cccs1 ZINC001177919038 1008791370 /nfs/dbraw/zinc/79/13/70/1008791370.db2.gz HNMHACRPTINVHH-JXFKEZNVSA-N 1 3 373.522 2.785 20 0 FFADHO C[N@H+]1CCC[C@@H](CNCc2ccc(OCC(N)=O)cc2)[C@H]1c1cccs1 ZINC001177919038 1008791388 /nfs/dbraw/zinc/79/13/88/1008791388.db2.gz HNMHACRPTINVHH-JXFKEZNVSA-N 1 3 373.522 2.785 20 0 FFADHO CN(C)c1ccccc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001178295420 1008941288 /nfs/dbraw/zinc/94/12/88/1008941288.db2.gz PJYGYAZBNBLZHM-OAQYLSRUSA-N 1 3 353.510 2.999 20 0 FFADHO CN(C)c1ccccc1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001178295420 1008941305 /nfs/dbraw/zinc/94/13/05/1008941305.db2.gz PJYGYAZBNBLZHM-OAQYLSRUSA-N 1 3 353.510 2.999 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCCCCNCc2ncc(C)s2)CC[N@@H+]1C ZINC001178527916 1009022655 /nfs/dbraw/zinc/02/26/55/1009022655.db2.gz QFVJDCOJPXURLH-DLBZAZTESA-N 1 3 366.575 2.948 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCCCCNCc2ncc(C)s2)CC[N@H+]1C ZINC001178527916 1009022669 /nfs/dbraw/zinc/02/26/69/1009022669.db2.gz QFVJDCOJPXURLH-DLBZAZTESA-N 1 3 366.575 2.948 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNCc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC001274036492 1009298897 /nfs/dbraw/zinc/29/88/97/1009298897.db2.gz OMPPTNRLDHBTIL-PRXHZCDDSA-N 1 3 353.869 2.581 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNCc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC001274036492 1009298903 /nfs/dbraw/zinc/29/89/03/1009298903.db2.gz OMPPTNRLDHBTIL-PRXHZCDDSA-N 1 3 353.869 2.581 20 0 FFADHO CN(C)Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C)c2c1OC(F)(F)O2 ZINC001179734858 1009427165 /nfs/dbraw/zinc/42/71/65/1009427165.db2.gz VDTKGGODZLHXFH-HNNXBMFYSA-N 1 3 355.429 2.644 20 0 FFADHO Cc1ncoc1CN1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056594 1009724272 /nfs/dbraw/zinc/72/42/72/1009724272.db2.gz HDMPMNGSCADPQJ-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093224646 1010166396 /nfs/dbraw/zinc/16/63/96/1010166396.db2.gz CRXKDCMAIZRVAL-GDBMZVCRSA-N 1 3 371.447 2.998 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093224646 1010166404 /nfs/dbraw/zinc/16/64/04/1010166404.db2.gz CRXKDCMAIZRVAL-GDBMZVCRSA-N 1 3 371.447 2.998 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001093225745 1010172061 /nfs/dbraw/zinc/17/20/61/1010172061.db2.gz RCKXNCUFRLJBPZ-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001093225745 1010172072 /nfs/dbraw/zinc/17/20/72/1010172072.db2.gz RCKXNCUFRLJBPZ-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO CN1CCC(NC(=S)NCCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000865255520 1010753860 /nfs/dbraw/zinc/75/38/60/1010753860.db2.gz ULMIOXJPXBJYFU-UHFFFAOYSA-N 1 3 374.598 2.847 20 0 FFADHO Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)s1 ZINC001094020935 1010787043 /nfs/dbraw/zinc/78/70/43/1010787043.db2.gz PAIRBZQJSVVTRK-MZMPZRCHSA-N 1 3 366.575 2.530 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001094041147 1010803006 /nfs/dbraw/zinc/80/30/06/1010803006.db2.gz XKZOFCYFVGZBIK-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1)N(C)C ZINC001094049484 1010808681 /nfs/dbraw/zinc/80/86/81/1010808681.db2.gz VWNPMCKPSBHELK-QRQLOZEOSA-N 1 3 361.530 2.528 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(-n2cncn2)c1 ZINC000866432723 1010994331 /nfs/dbraw/zinc/99/43/31/1010994331.db2.gz RDIGZVZUBKCIFE-YLJYHZDGSA-N 1 3 362.481 2.663 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccnc(-n2cncn2)c1 ZINC000866432723 1010994334 /nfs/dbraw/zinc/99/43/34/1010994334.db2.gz RDIGZVZUBKCIFE-YLJYHZDGSA-N 1 3 362.481 2.663 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161439 1011326418 /nfs/dbraw/zinc/32/64/18/1011326418.db2.gz FGEQQPCGDQQYND-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161439 1011326427 /nfs/dbraw/zinc/32/64/27/1011326427.db2.gz FGEQQPCGDQQYND-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO Cc1cn[nH]c1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000645198128 1011380585 /nfs/dbraw/zinc/38/05/85/1011380585.db2.gz WJGASNRSVFQFIE-IBGZPJMESA-N 1 3 354.498 2.737 20 0 FFADHO Cc1cn[nH]c1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000645198128 1011380597 /nfs/dbraw/zinc/38/05/97/1011380597.db2.gz WJGASNRSVFQFIE-IBGZPJMESA-N 1 3 354.498 2.737 20 0 FFADHO Cn1cc(CN2CC[C@@H]3C[N@@H+](C4CC(C)(C)N(C)C(C)(C)C4)C[C@H]3C2)cn1 ZINC001171636654 1011421315 /nfs/dbraw/zinc/42/13/15/1011421315.db2.gz HYTGAZHIOFIUQR-RTBURBONSA-N 1 3 373.589 2.825 20 0 FFADHO Cn1cc(CN2CC[C@@H]3C[N@H+](C4CC(C)(C)N(C)C(C)(C)C4)C[C@H]3C2)cn1 ZINC001171636654 1011421321 /nfs/dbraw/zinc/42/13/21/1011421321.db2.gz HYTGAZHIOFIUQR-RTBURBONSA-N 1 3 373.589 2.825 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274409095 1011427389 /nfs/dbraw/zinc/42/73/89/1011427389.db2.gz RYNAPXJVTHDFGA-PZJWPPBQSA-N 1 3 358.530 2.704 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274409095 1011427396 /nfs/dbraw/zinc/42/73/96/1011427396.db2.gz RYNAPXJVTHDFGA-PZJWPPBQSA-N 1 3 358.530 2.704 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC2)c1 ZINC000645489942 1011501330 /nfs/dbraw/zinc/50/13/30/1011501330.db2.gz XGVRLVHWXRICMJ-PZJWPPBQSA-N 1 3 374.573 2.633 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989256 1011552869 /nfs/dbraw/zinc/55/28/69/1011552869.db2.gz BJVYPSGNRWNVOF-OALUTQOASA-N 1 3 360.498 2.694 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989256 1011552881 /nfs/dbraw/zinc/55/28/81/1011552881.db2.gz BJVYPSGNRWNVOF-OALUTQOASA-N 1 3 360.498 2.694 20 0 FFADHO CC1(C)C[C@@H](NCC2(N3CCCC3)COC2)CC[N@@H+]1Cc1ccccc1 ZINC001171971356 1011570212 /nfs/dbraw/zinc/57/02/12/1011570212.db2.gz GZWBCENCNHGKCS-FQEVSTJZSA-N 1 3 357.542 2.884 20 0 FFADHO CC1(C)C[C@@H](NCC2(N3CCCC3)COC2)CC[N@H+]1Cc1ccccc1 ZINC001171971356 1011570225 /nfs/dbraw/zinc/57/02/25/1011570225.db2.gz GZWBCENCNHGKCS-FQEVSTJZSA-N 1 3 357.542 2.884 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C1)C2 ZINC001172132631 1011635441 /nfs/dbraw/zinc/63/54/41/1011635441.db2.gz MEAFBHLLPAORDL-CBBWQLFWSA-N 1 3 370.419 2.964 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C1)C2 ZINC001172132631 1011635448 /nfs/dbraw/zinc/63/54/48/1011635448.db2.gz MEAFBHLLPAORDL-CBBWQLFWSA-N 1 3 370.419 2.964 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)CCN12 ZINC001172182723 1011657877 /nfs/dbraw/zinc/65/78/77/1011657877.db2.gz NUPVOFLYTQAXSV-PLACYPQZSA-N 1 3 353.510 2.594 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)CCN12 ZINC001172182723 1011657882 /nfs/dbraw/zinc/65/78/82/1011657882.db2.gz NUPVOFLYTQAXSV-PLACYPQZSA-N 1 3 353.510 2.594 20 0 FFADHO Cc1cc(N2CCN([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC2)c2ccccc2[nH+]1 ZINC001172164192 1011676185 /nfs/dbraw/zinc/67/61/85/1011676185.db2.gz UXOWPKVFYRLTEM-QZTJIDSGSA-N 1 3 364.493 2.819 20 0 FFADHO O=C1CC[C@@H]2C[C@H](N3CCC([N@@H+]4CCc5ccccc5C4)CC3)CCN12 ZINC001172178320 1011684102 /nfs/dbraw/zinc/68/41/02/1011684102.db2.gz DUYNNGGFQLIDLX-NHCUHLMSSA-N 1 3 353.510 2.663 20 0 FFADHO O=C1CC[C@@H]2C[C@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)CCN12 ZINC001172178320 1011684111 /nfs/dbraw/zinc/68/41/11/1011684111.db2.gz DUYNNGGFQLIDLX-NHCUHLMSSA-N 1 3 353.510 2.663 20 0 FFADHO COCCCN1CCC([NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001172250683 1011723459 /nfs/dbraw/zinc/72/34/59/1011723459.db2.gz FBKYRZDPCBSCIR-ROUUACIJSA-N 1 3 363.571 2.613 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000646074493 1011725539 /nfs/dbraw/zinc/72/55/39/1011725539.db2.gz ZNAWKELZONZIJT-DHIUTWEWSA-N 1 3 373.585 2.861 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000646074493 1011725548 /nfs/dbraw/zinc/72/55/48/1011725548.db2.gz ZNAWKELZONZIJT-DHIUTWEWSA-N 1 3 373.585 2.861 20 0 FFADHO COCCC[NH+]1CCC(N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001172252527 1011728594 /nfs/dbraw/zinc/72/85/94/1011728594.db2.gz OVPQMFVKIDTVOM-UHFFFAOYSA-N 1 3 369.550 2.724 20 0 FFADHO CCCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646363700 1011876522 /nfs/dbraw/zinc/87/65/22/1011876522.db2.gz YMQFNJURXPTRBB-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO CCCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000646363700 1011876536 /nfs/dbraw/zinc/87/65/36/1011876536.db2.gz YMQFNJURXPTRBB-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN([C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172630073 1011905391 /nfs/dbraw/zinc/90/53/91/1011905391.db2.gz CERQKNAEBSFGQS-UXHICEINSA-N 1 3 367.578 2.848 20 0 FFADHO CCCC[C@@H]1C[C@H](N2CCN(CC[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172630422 1011905809 /nfs/dbraw/zinc/90/58/09/1011905809.db2.gz CMXZMVZGKFSXMW-QZTJIDSGSA-N 1 3 368.566 2.521 20 0 FFADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275123316 1011965174 /nfs/dbraw/zinc/96/51/74/1011965174.db2.gz DMEQXSDENHMSKQ-FPOVZHCZSA-N 1 3 365.562 2.624 20 0 FFADHO CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275123316 1011965181 /nfs/dbraw/zinc/96/51/81/1011965181.db2.gz DMEQXSDENHMSKQ-FPOVZHCZSA-N 1 3 365.562 2.624 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000122960833 1012228220 /nfs/dbraw/zinc/22/82/20/1012228220.db2.gz GCRJZCUQTCBOKK-TVFCKZIOSA-N 1 3 369.550 2.911 20 0 FFADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275323753 1012299373 /nfs/dbraw/zinc/29/93/73/1012299373.db2.gz CYGSOZOLQIEGIE-JWUVWSEFSA-N 1 3 355.526 2.522 20 0 FFADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275323753 1012299392 /nfs/dbraw/zinc/29/93/92/1012299392.db2.gz CYGSOZOLQIEGIE-JWUVWSEFSA-N 1 3 355.526 2.522 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796360307 1012363663 /nfs/dbraw/zinc/36/36/63/1012363663.db2.gz AWWWZPGSXHLWQH-FCHUYYIVSA-N 1 3 354.494 2.679 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796360307 1012363680 /nfs/dbraw/zinc/36/36/80/1012363680.db2.gz AWWWZPGSXHLWQH-FCHUYYIVSA-N 1 3 354.494 2.679 20 0 FFADHO CC[N@@H+]1CC[C@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001173359653 1012490275 /nfs/dbraw/zinc/49/02/75/1012490275.db2.gz FPWBRPYDQXODHG-RBUKOAKNSA-N 1 3 364.484 2.709 20 0 FFADHO CC[N@H+]1CC[C@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001173359653 1012490290 /nfs/dbraw/zinc/49/02/90/1012490290.db2.gz FPWBRPYDQXODHG-RBUKOAKNSA-N 1 3 364.484 2.709 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544267 1012527316 /nfs/dbraw/zinc/52/73/16/1012527316.db2.gz YWOCYLRPWJCEGA-HUUCEWRRSA-N 1 3 374.451 2.881 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000647976058 1012651766 /nfs/dbraw/zinc/65/17/66/1012651766.db2.gz JQDMHSNIRGUOFJ-JAXLGGSGSA-N 1 3 355.526 2.966 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3cccc4ccccc43)C2)C1=O ZINC001275604660 1012682601 /nfs/dbraw/zinc/68/26/01/1012682601.db2.gz KKTSUMMWOFDVAN-QFIPXVFZSA-N 1 3 351.494 2.826 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1=O ZINC001275604660 1012682603 /nfs/dbraw/zinc/68/26/03/1012682603.db2.gz KKTSUMMWOFDVAN-QFIPXVFZSA-N 1 3 351.494 2.826 20 0 FFADHO c1nnn([C@H]2CCC[C@@H]([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)C2)n1 ZINC001173768028 1012959268 /nfs/dbraw/zinc/95/92/68/1012959268.db2.gz IEMUQOQSXNNKKJ-BQJUDKOJSA-N 1 3 366.513 2.611 20 0 FFADHO c1nnn([C@H]2CCC[C@@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)C2)n1 ZINC001173768028 1012959278 /nfs/dbraw/zinc/95/92/78/1012959278.db2.gz IEMUQOQSXNNKKJ-BQJUDKOJSA-N 1 3 366.513 2.611 20 0 FFADHO CC(C)c1ccc(CC[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001275756137 1012964470 /nfs/dbraw/zinc/96/44/70/1012964470.db2.gz FPDXGTPUWVYVCR-JOCHJYFZSA-N 1 3 357.542 2.839 20 0 FFADHO CC(C)c1ccc(CC[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001275756137 1012964479 /nfs/dbraw/zinc/96/44/79/1012964479.db2.gz FPDXGTPUWVYVCR-JOCHJYFZSA-N 1 3 357.542 2.839 20 0 FFADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000924960510 1017563047 /nfs/dbraw/zinc/56/30/47/1017563047.db2.gz SBKWGPGUXYYGFI-CQSZACIVSA-N 1 3 366.465 2.519 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000924960510 1017563057 /nfs/dbraw/zinc/56/30/57/1017563057.db2.gz SBKWGPGUXYYGFI-CQSZACIVSA-N 1 3 366.465 2.519 20 0 FFADHO C[C@H]1CN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCN(C2CC2)C1 ZINC000925054696 1017598741 /nfs/dbraw/zinc/59/87/41/1017598741.db2.gz OVNYHECXGOXJFC-MPQSDHOMSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000925437888 1017740298 /nfs/dbraw/zinc/74/02/98/1017740298.db2.gz GRZAKJYKUZUYOL-SFHVURJKSA-N 1 3 366.509 2.628 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000925438420 1017741222 /nfs/dbraw/zinc/74/12/22/1017741222.db2.gz AKGPKXYEOFMPQB-MRLCAUJQSA-N 1 3 369.550 2.769 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnnn1-c1ccccc1 ZINC000925439885 1017742296 /nfs/dbraw/zinc/74/22/96/1017742296.db2.gz OBQSVEWEZWYYNF-KZNAEPCWSA-N 1 3 357.502 2.807 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@H](c2ccccc2)[C@@H](C)N)N(C)C)cc1OC ZINC000925622631 1017803531 /nfs/dbraw/zinc/80/35/31/1017803531.db2.gz RILZZVFBEVTZRU-YWMUFLPLSA-N 1 3 357.498 2.985 20 0 FFADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1F ZINC000925768980 1017845575 /nfs/dbraw/zinc/84/55/75/1017845575.db2.gz ADXNRPSZGGQGSW-HLIPFELVSA-N 1 3 360.404 2.844 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCCOc3cc4c(cc32)CCC4)CC12CC[NH2+]CC2 ZINC000925852574 1017874449 /nfs/dbraw/zinc/87/44/49/1017874449.db2.gz CPHQKIAHOQXTOV-PKOBYXMFSA-N 1 3 370.493 2.664 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680269537 1017888465 /nfs/dbraw/zinc/88/84/65/1017888465.db2.gz LNYUNFVKJTXVEU-NCYKPQTJSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680269537 1017888479 /nfs/dbraw/zinc/88/84/79/1017888479.db2.gz LNYUNFVKJTXVEU-NCYKPQTJSA-N 1 3 357.542 2.990 20 0 FFADHO C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000926136647 1017981510 /nfs/dbraw/zinc/98/15/10/1017981510.db2.gz LLAKNZCIKIQVDJ-UTKZUKDTSA-N 1 3 366.509 2.985 20 0 FFADHO COC1CCN(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000681529632 1018521991 /nfs/dbraw/zinc/52/19/91/1018521991.db2.gz YCUOPCIPUONEBV-UHFFFAOYSA-N 1 3 373.541 2.516 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](CCCCOCc3ccccc3)C[C@@H]1CNCCC2 ZINC001222124984 1032769825 /nfs/dbraw/zinc/76/98/25/1032769825.db2.gz CDWXCGFQHOJMIC-UNMCSNQZSA-N 1 3 374.525 2.848 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](CCCCOCc3ccccc3)C[C@@H]1CNCCC2 ZINC001222124984 1032769831 /nfs/dbraw/zinc/76/98/31/1032769831.db2.gz CDWXCGFQHOJMIC-UNMCSNQZSA-N 1 3 374.525 2.848 20 0 FFADHO CCOC(=O)[C@@]12CN(CCCCOCc3ccccc3)C[C@@H]1C[NH2+]CCC2 ZINC001222124984 1032769854 /nfs/dbraw/zinc/76/98/54/1032769854.db2.gz CDWXCGFQHOJMIC-UNMCSNQZSA-N 1 3 374.525 2.848 20 0 FFADHO CNc1ccccc1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000902255488 1020019346 /nfs/dbraw/zinc/01/93/46/1020019346.db2.gz NHSLIDRWPZTDHS-UHFFFAOYSA-N 1 3 366.509 2.844 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001096354696 1020206316 /nfs/dbraw/zinc/20/63/16/1020206316.db2.gz OLEAUMNKQGJXCR-AABGKKOBSA-N 1 3 353.510 2.621 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)c2)CC1 ZINC000930892224 1020227536 /nfs/dbraw/zinc/22/75/36/1020227536.db2.gz IEHFUJNPCNVQKF-FQEVSTJZSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)c2)CC1 ZINC000930892224 1020227542 /nfs/dbraw/zinc/22/75/42/1020227542.db2.gz IEHFUJNPCNVQKF-FQEVSTJZSA-N 1 3 373.545 2.775 20 0 FFADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(NC2=NCCC2)cc1 ZINC000900684944 1020581442 /nfs/dbraw/zinc/58/14/42/1020581442.db2.gz JADSCXVFJBUWAW-IBGZPJMESA-N 1 3 370.497 2.664 20 0 FFADHO CCc1ccccc1CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223681 1020745273 /nfs/dbraw/zinc/74/52/73/1020745273.db2.gz WQJXSJKPMZNNPO-NJYVYQBISA-N 1 3 367.537 2.609 20 0 FFADHO CC[C@@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000903340668 1020796028 /nfs/dbraw/zinc/79/60/28/1020796028.db2.gz XTEFIXNSSXSDIY-KJJMTIBFSA-N 1 3 357.542 2.740 20 0 FFADHO CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCC2)C3)c1 ZINC001098401399 1020874569 /nfs/dbraw/zinc/87/45/69/1020874569.db2.gz BRYOTJNIOZNHLI-NRSPTQNISA-N 1 3 371.525 2.791 20 0 FFADHO CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCC2)C3)c1 ZINC001098401399 1020874575 /nfs/dbraw/zinc/87/45/75/1020874575.db2.gz BRYOTJNIOZNHLI-NRSPTQNISA-N 1 3 371.525 2.791 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000749412375 1020975914 /nfs/dbraw/zinc/97/59/14/1020975914.db2.gz BSHSCJWLTLCYOH-UHFFFAOYSA-N 1 3 373.541 2.526 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1)[C@H]1CCCN(C)C1 ZINC000933479724 1021020301 /nfs/dbraw/zinc/02/03/01/1021020301.db2.gz RTLHMJVLPWANAO-SFHVURJKSA-N 1 3 374.529 2.570 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC001098845178 1021230794 /nfs/dbraw/zinc/23/07/94/1021230794.db2.gz PHEYZKZBPHMCOK-TXXUCJGISA-N 1 3 373.516 2.945 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC001098845178 1021230807 /nfs/dbraw/zinc/23/08/07/1021230807.db2.gz PHEYZKZBPHMCOK-TXXUCJGISA-N 1 3 373.516 2.945 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001098996676 1021553302 /nfs/dbraw/zinc/55/33/02/1021553302.db2.gz ZMFNFJVVDQWPKG-OZIGNCPNSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996676 1021553314 /nfs/dbraw/zinc/55/33/14/1021553314.db2.gz ZMFNFJVVDQWPKG-OZIGNCPNSA-N 1 3 370.541 2.591 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC2CC2)C3)C1 ZINC001099030011 1021632775 /nfs/dbraw/zinc/63/27/75/1021632775.db2.gz SRVCXOWNBUARAC-WMQCIHAUSA-N 1 3 365.537 2.970 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC2CC2)C3)C1 ZINC001099030011 1021632780 /nfs/dbraw/zinc/63/27/80/1021632780.db2.gz SRVCXOWNBUARAC-WMQCIHAUSA-N 1 3 365.537 2.970 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001099118997 1021853476 /nfs/dbraw/zinc/85/34/76/1021853476.db2.gz GZXMWZRSIRKSAK-IPJJNNNSSA-N 1 3 371.525 2.508 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001099118997 1021853479 /nfs/dbraw/zinc/85/34/79/1021853479.db2.gz GZXMWZRSIRKSAK-IPJJNNNSSA-N 1 3 371.525 2.508 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001099159718 1021964269 /nfs/dbraw/zinc/96/42/69/1021964269.db2.gz JKAQWKYFEULSOW-WFXMLNOXSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC001099159718 1021964276 /nfs/dbraw/zinc/96/42/76/1021964276.db2.gz JKAQWKYFEULSOW-WFXMLNOXSA-N 1 3 359.489 2.557 20 0 FFADHO C[NH2+][C@@H](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC001117966230 1021996600 /nfs/dbraw/zinc/99/66/00/1021996600.db2.gz DRSSVAMFXGJJRY-HOTGVXAUSA-N 1 3 352.548 2.818 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111149988 1022107996 /nfs/dbraw/zinc/10/79/96/1022107996.db2.gz DSWJLIBDEZGXCF-AQNXPRMDSA-N 1 3 359.514 2.508 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C)C(C)C ZINC001111164200 1022164083 /nfs/dbraw/zinc/16/40/83/1022164083.db2.gz NYOLVPAWILKJIJ-ZRNYENFQSA-N 1 3 367.578 2.889 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C(F)(F)F ZINC001099345960 1022338340 /nfs/dbraw/zinc/33/83/40/1022338340.db2.gz BCCACERPCCLMMH-IAGOWNOFSA-N 1 3 371.447 2.997 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1 ZINC001099497061 1022631114 /nfs/dbraw/zinc/63/11/14/1022631114.db2.gz QMRBRKJKEFVIEP-KPFFTGBYSA-N 1 3 361.555 2.951 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ccccc3)C2)C1 ZINC001099499995 1022635085 /nfs/dbraw/zinc/63/50/85/1022635085.db2.gz LYKAMWBHUOLILB-CBQOVEMMSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ccsc3)C2)C1 ZINC001099500475 1022636702 /nfs/dbraw/zinc/63/67/02/1022636702.db2.gz SSKGNUFIVLRFBH-KPFFTGBYSA-N 1 3 361.555 2.808 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCc2cccc(C)c2)CC[N@@H+]1C ZINC001038269868 1022644601 /nfs/dbraw/zinc/64/46/01/1022644601.db2.gz SNMGGFIBQOVLCJ-PCCBWWKXSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCc2cccc(C)c2)CC[N@H+]1C ZINC001038269868 1022644610 /nfs/dbraw/zinc/64/46/10/1022644610.db2.gz SNMGGFIBQOVLCJ-PCCBWWKXSA-N 1 3 357.542 2.848 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)NCc2cc(N)ccn2)CCC1 ZINC001119415077 1022750765 /nfs/dbraw/zinc/75/07/65/1022750765.db2.gz REBWOSCEWHYWNF-UHFFFAOYSA-N 1 3 353.470 2.518 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCc2cc(N)ccn2)CCC1 ZINC001119415077 1022750778 /nfs/dbraw/zinc/75/07/78/1022750778.db2.gz REBWOSCEWHYWNF-UHFFFAOYSA-N 1 3 353.470 2.518 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000753099928 1023269178 /nfs/dbraw/zinc/26/91/78/1023269178.db2.gz XLMMFGHWEOLSBK-VAMGGRTRSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000753099928 1023269183 /nfs/dbraw/zinc/26/91/83/1023269183.db2.gz XLMMFGHWEOLSBK-VAMGGRTRSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000829422313 1033149767 /nfs/dbraw/zinc/14/97/67/1033149767.db2.gz APQUEHJPSHQXTK-VQTJNVASSA-N 1 3 356.514 2.782 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000829422313 1033149770 /nfs/dbraw/zinc/14/97/70/1033149770.db2.gz APQUEHJPSHQXTK-VQTJNVASSA-N 1 3 356.514 2.782 20 0 FFADHO C[C@@H](CCO)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000779340884 1023702884 /nfs/dbraw/zinc/70/28/84/1023702884.db2.gz DWLMCZRMOAZHGV-IBGZPJMESA-N 1 3 353.510 2.869 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001222817895 1033167017 /nfs/dbraw/zinc/16/70/17/1033167017.db2.gz RCWIIUAYJHMOBR-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001222817895 1033167024 /nfs/dbraw/zinc/16/70/24/1033167024.db2.gz RCWIIUAYJHMOBR-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)C(=O)NCC[NH+](C)C ZINC000758588258 1024194705 /nfs/dbraw/zinc/19/47/05/1024194705.db2.gz QERVIIXLLIWWQO-SFHVURJKSA-N 1 3 361.530 2.582 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@@]2(C)C1)N(C)C ZINC001101277408 1024301305 /nfs/dbraw/zinc/30/13/05/1024301305.db2.gz GNWNLMXIAYSADI-INMHGKMJSA-N 1 3 363.468 2.840 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@]2(C)C1)N(C)C ZINC001101277408 1024301324 /nfs/dbraw/zinc/30/13/24/1024301324.db2.gz GNWNLMXIAYSADI-INMHGKMJSA-N 1 3 363.468 2.840 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368730 1024561088 /nfs/dbraw/zinc/56/10/88/1024561088.db2.gz JXAJTJNVPULTNV-OFNKIYASSA-N 1 3 371.569 2.987 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368730 1024561095 /nfs/dbraw/zinc/56/10/95/1024561095.db2.gz JXAJTJNVPULTNV-OFNKIYASSA-N 1 3 371.569 2.987 20 0 FFADHO Cc1cc(C)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(Br)n1 ZINC001218589757 1033236166 /nfs/dbraw/zinc/23/61/66/1033236166.db2.gz FBHIDPQZORQBSO-ZDUSSCGKSA-N 1 3 371.323 2.895 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1 ZINC001102046169 1025351567 /nfs/dbraw/zinc/35/15/67/1025351567.db2.gz QIURLIOXISKBKN-UYAOXDASSA-N 1 3 357.542 2.706 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1 ZINC001102046169 1025351582 /nfs/dbraw/zinc/35/15/82/1025351582.db2.gz QIURLIOXISKBKN-UYAOXDASSA-N 1 3 357.542 2.706 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047775 1025352592 /nfs/dbraw/zinc/35/25/92/1025352592.db2.gz SEDAWFRDLUJHAM-MRRJBJDNSA-N 1 3 369.962 2.926 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047795 1025353349 /nfs/dbraw/zinc/35/33/49/1025353349.db2.gz SVBCRPFMVINJGU-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047795 1025353362 /nfs/dbraw/zinc/35/33/62/1025353362.db2.gz SVBCRPFMVINJGU-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)sn1 ZINC001102217024 1025598934 /nfs/dbraw/zinc/59/89/34/1025598934.db2.gz SCAPUESAHLUBPC-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C ZINC001102366847 1025817010 /nfs/dbraw/zinc/81/70/10/1025817010.db2.gz SDKFQQZQWOFLSC-ZHALLVOQSA-N 1 3 361.505 2.537 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C ZINC001102366847 1025817024 /nfs/dbraw/zinc/81/70/24/1025817024.db2.gz SDKFQQZQWOFLSC-ZHALLVOQSA-N 1 3 361.505 2.537 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366897 1025818786 /nfs/dbraw/zinc/81/87/86/1025818786.db2.gz UFDVAQJFLZMCIU-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366897 1025818802 /nfs/dbraw/zinc/81/88/02/1025818802.db2.gz UFDVAQJFLZMCIU-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1C ZINC001102366464 1025819151 /nfs/dbraw/zinc/81/91/51/1025819151.db2.gz GDQQLMCIOFDLGF-MBOZVWFJSA-N 1 3 361.505 2.825 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1C ZINC001102366464 1025819163 /nfs/dbraw/zinc/81/91/63/1025819163.db2.gz GDQQLMCIOFDLGF-MBOZVWFJSA-N 1 3 361.505 2.825 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102369879 1025827149 /nfs/dbraw/zinc/82/71/49/1025827149.db2.gz JLMMHVQCAVIASB-YFVAEKQCSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102369879 1025827153 /nfs/dbraw/zinc/82/71/53/1025827153.db2.gz JLMMHVQCAVIASB-YFVAEKQCSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377170 1025849458 /nfs/dbraw/zinc/84/94/58/1025849458.db2.gz RIJIGVWDIRCLHU-NVXWUHKLSA-N 1 3 351.560 2.910 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377170 1025849474 /nfs/dbraw/zinc/84/94/74/1025849474.db2.gz RIJIGVWDIRCLHU-NVXWUHKLSA-N 1 3 351.560 2.910 20 0 FFADHO CN1CCN(c2cc[nH+]cc2N[C@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000638811538 1026029134 /nfs/dbraw/zinc/02/91/34/1026029134.db2.gz VRKZBDCJZPUCOE-SFHVURJKSA-N 1 3 355.490 2.685 20 0 FFADHO CN1CCN(c2cc[nH+]cc2N[C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000638811538 1026029153 /nfs/dbraw/zinc/02/91/53/1026029153.db2.gz VRKZBDCJZPUCOE-SFHVURJKSA-N 1 3 355.490 2.685 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638850887 1026049918 /nfs/dbraw/zinc/04/99/18/1026049918.db2.gz IHLQKXAEOWRUTA-IFMALSPDSA-N 1 3 356.558 2.582 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102600628 1026400900 /nfs/dbraw/zinc/40/09/00/1026400900.db2.gz NOOSNZFSIWDREG-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102600628 1026400905 /nfs/dbraw/zinc/40/09/05/1026400905.db2.gz NOOSNZFSIWDREG-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639758529 1026457068 /nfs/dbraw/zinc/45/70/68/1026457068.db2.gz UGGANIFHCLGGHK-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO C[C@@]12COC[C@@H]1CN(C[C@H](C[N@@H+]1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824633 1026487763 /nfs/dbraw/zinc/48/77/63/1026487763.db2.gz MRDHXWXADNIROP-XZCBWCRCSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@]12COC[C@@H]1CN(C[C@H](C[N@H+]1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824633 1026487767 /nfs/dbraw/zinc/48/77/67/1026487767.db2.gz MRDHXWXADNIROP-XZCBWCRCSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@]12COC[C@@H]1C[N@@H+](C[C@H](CN1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824633 1026487769 /nfs/dbraw/zinc/48/77/69/1026487769.db2.gz MRDHXWXADNIROP-XZCBWCRCSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@]12COC[C@@H]1C[N@H+](C[C@H](CN1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824633 1026487772 /nfs/dbraw/zinc/48/77/72/1026487772.db2.gz MRDHXWXADNIROP-XZCBWCRCSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@H](CN2CC[C@H]3COC[C@H]3C2)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000639862415 1026497900 /nfs/dbraw/zinc/49/79/00/1026497900.db2.gz KOPNNEOLRCHALF-BLUSIDMPSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@H](CN2CC[C@H]3COC[C@H]3C2)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000639862415 1026497905 /nfs/dbraw/zinc/49/79/05/1026497905.db2.gz KOPNNEOLRCHALF-BLUSIDMPSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@@H](CN2CC[C@@H]3COC[C@@H]3C2)C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000639862415 1026497913 /nfs/dbraw/zinc/49/79/13/1026497913.db2.gz KOPNNEOLRCHALF-BLUSIDMPSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@@H](CN2CC[C@@H]3COC[C@@H]3C2)C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000639862415 1026497916 /nfs/dbraw/zinc/49/79/16/1026497916.db2.gz KOPNNEOLRCHALF-BLUSIDMPSA-N 1 3 370.537 2.707 20 0 FFADHO COc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001141608583 1026665120 /nfs/dbraw/zinc/66/51/20/1026665120.db2.gz DCZNZBAUVRWWLP-DLBZAZTESA-N 1 3 371.447 2.924 20 0 FFADHO COc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001141608583 1026665126 /nfs/dbraw/zinc/66/51/26/1026665126.db2.gz DCZNZBAUVRWWLP-DLBZAZTESA-N 1 3 371.447 2.924 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103084104 1026945488 /nfs/dbraw/zinc/94/54/88/1026945488.db2.gz YORZJYZSDHLLGF-IAGOWNOFSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103084104 1026945495 /nfs/dbraw/zinc/94/54/95/1026945495.db2.gz YORZJYZSDHLLGF-IAGOWNOFSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001103088037 1026950604 /nfs/dbraw/zinc/95/06/04/1026950604.db2.gz UJEUGXNPXAMMQB-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001103088037 1026950613 /nfs/dbraw/zinc/95/06/13/1026950613.db2.gz UJEUGXNPXAMMQB-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1C ZINC001103157959 1027013045 /nfs/dbraw/zinc/01/30/45/1027013045.db2.gz LGFLSSXBERHBKE-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1C ZINC001103157959 1027013051 /nfs/dbraw/zinc/01/30/51/1027013051.db2.gz LGFLSSXBERHBKE-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO CCN1CCCN(C(=O)C2(c3ccccc3)CC[NH+](CC)CC2)[C@@H](C)C1 ZINC001141860560 1027057925 /nfs/dbraw/zinc/05/79/25/1027057925.db2.gz AFGQUQCTHLIKES-IBGZPJMESA-N 1 3 357.542 2.983 20 0 FFADHO COc1cccc2ccc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)nc21 ZINC001158575639 1027064243 /nfs/dbraw/zinc/06/42/43/1027064243.db2.gz OUSBEUCGZJBRAP-UHFFFAOYSA-N 1 3 354.498 2.896 20 0 FFADHO CCN1CCN(c2ccc(Nc3ccc(O[C@@H]4CC[NH2+]C4)nc3)cc2)CC1 ZINC001159333674 1027355914 /nfs/dbraw/zinc/35/59/14/1027355914.db2.gz GNAINJPSKXDPTD-HXUWFJFHSA-N 1 3 367.497 2.708 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2C)C1 ZINC001103436307 1027481451 /nfs/dbraw/zinc/48/14/51/1027481451.db2.gz SPLMHLFZZJQBTI-YQVWRLOYSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)C1 ZINC001103436307 1027481458 /nfs/dbraw/zinc/48/14/58/1027481458.db2.gz SPLMHLFZZJQBTI-YQVWRLOYSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439873 1027488328 /nfs/dbraw/zinc/48/83/28/1027488328.db2.gz ZPTBBTNNVKHEML-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439873 1027488339 /nfs/dbraw/zinc/48/83/39/1027488339.db2.gz ZPTBBTNNVKHEML-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO CCOCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495848 1027604247 /nfs/dbraw/zinc/60/42/47/1027604247.db2.gz VUYWSTFRVYLBPF-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCOCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495848 1027604256 /nfs/dbraw/zinc/60/42/56/1027604256.db2.gz VUYWSTFRVYLBPF-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001160161050 1027616880 /nfs/dbraw/zinc/61/68/80/1027616880.db2.gz UBDLADGADQVWEB-ROUUACIJSA-N 1 3 365.468 2.696 20 0 FFADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001160161050 1027616886 /nfs/dbraw/zinc/61/68/86/1027616886.db2.gz UBDLADGADQVWEB-ROUUACIJSA-N 1 3 365.468 2.696 20 0 FFADHO CN1CCN(Cc2cccc(Nc3ccccc3O[C@@H]3CC[NH2+]C3)c2)CC1 ZINC001160168047 1027618912 /nfs/dbraw/zinc/61/89/12/1027618912.db2.gz ZJVGHLVHCDTQBN-HXUWFJFHSA-N 1 3 366.509 2.918 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCOCC)C[C@H]1C ZINC001103542137 1027659172 /nfs/dbraw/zinc/65/91/72/1027659172.db2.gz HLQNVQNACKCPDQ-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCOCC)C[C@H]1C ZINC001103542137 1027659175 /nfs/dbraw/zinc/65/91/75/1027659175.db2.gz HLQNVQNACKCPDQ-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H](N)CC3CCC3)C[C@@H]21 ZINC001160424715 1027700307 /nfs/dbraw/zinc/70/03/07/1027700307.db2.gz ZCQVSEJVIZOJND-ZIBCJSCZSA-N 1 3 370.541 2.658 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H](N)CC3CCC3)C[C@@H]21 ZINC001160424715 1027700314 /nfs/dbraw/zinc/70/03/14/1027700314.db2.gz ZCQVSEJVIZOJND-ZIBCJSCZSA-N 1 3 370.541 2.658 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000642698478 1027730632 /nfs/dbraw/zinc/73/06/32/1027730632.db2.gz IYUQXYRNZZNPFK-UHFFFAOYSA-N 1 3 360.502 2.719 20 0 FFADHO N[C@@H](C(=O)N1CCC(c2ccc3ccccc3c2)CC1)C1CC[NH2+]CC1 ZINC001160527502 1027741470 /nfs/dbraw/zinc/74/14/70/1027741470.db2.gz UZVQNWFXLFEQIJ-OAQYLSRUSA-N 1 3 351.494 2.873 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1C ZINC001103614961 1027785582 /nfs/dbraw/zinc/78/55/82/1027785582.db2.gz YESRFSHERYXUKR-HZPDHXFCSA-N 1 3 366.937 2.651 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1C ZINC001103614961 1027785602 /nfs/dbraw/zinc/78/56/02/1027785602.db2.gz YESRFSHERYXUKR-HZPDHXFCSA-N 1 3 366.937 2.651 20 0 FFADHO Cc1cnc([C@H](C)N2C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C2)o1 ZINC001103655151 1027897045 /nfs/dbraw/zinc/89/70/45/1027897045.db2.gz SADWRZYELDXTTI-BPQIPLTHSA-N 1 3 364.534 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)Cc2cccc(OC)c2)CC[N@@H+]1C ZINC001153500965 1027909474 /nfs/dbraw/zinc/90/94/74/1027909474.db2.gz AHAOAWCECYGQOV-LSTHTHJFSA-N 1 3 361.530 2.752 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)Cc2cccc(OC)c2)CC[N@H+]1C ZINC001153500965 1027909494 /nfs/dbraw/zinc/90/94/94/1027909494.db2.gz AHAOAWCECYGQOV-LSTHTHJFSA-N 1 3 361.530 2.752 20 0 FFADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001103662750 1027915922 /nfs/dbraw/zinc/91/59/22/1027915922.db2.gz OMKKCXRZKOXMSS-BPQIPLTHSA-N 1 3 364.534 2.850 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001103662750 1027915924 /nfs/dbraw/zinc/91/59/24/1027915924.db2.gz OMKKCXRZKOXMSS-BPQIPLTHSA-N 1 3 364.534 2.850 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160955855 1027943510 /nfs/dbraw/zinc/94/35/10/1027943510.db2.gz IQNLUPALBWXNSF-PMACEKPBSA-N 1 3 373.541 2.898 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643501553 1028024587 /nfs/dbraw/zinc/02/45/87/1028024587.db2.gz KNXNBOIVQOYAAB-BRWVUGGUSA-N 1 3 355.482 2.716 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1C ZINC001103757342 1028148114 /nfs/dbraw/zinc/14/81/14/1028148114.db2.gz WWPZBDKCDRGDOA-JFIYKMOQSA-N 1 3 364.559 2.592 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1C ZINC001103757342 1028148118 /nfs/dbraw/zinc/14/81/18/1028148118.db2.gz WWPZBDKCDRGDOA-JFIYKMOQSA-N 1 3 364.559 2.592 20 0 FFADHO CN(C)CCN(C(=O)C1(c2cccc(Cl)c2)CCC1)[C@H]1CCC[NH2+]C1 ZINC001161449167 1028179779 /nfs/dbraw/zinc/17/97/79/1028179779.db2.gz KPYOPCVQJYYXJR-SFHVURJKSA-N 1 3 363.933 2.904 20 0 FFADHO CCOCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001104196276 1028653823 /nfs/dbraw/zinc/65/38/23/1028653823.db2.gz QAMIJSDCQVPGSS-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO COc1cc(CCNc2cccc(N3CCC([NH3+])CC3)n2)cc(OC)c1 ZINC001155878813 1028956307 /nfs/dbraw/zinc/95/63/07/1028956307.db2.gz NLAUQFRIAJHTPW-UHFFFAOYSA-N 1 3 356.470 2.681 20 0 FFADHO c1cc(N[C@H]2CCCC[C@@]23CNCCO3)ccc1COC1CC[NH2+]CC1 ZINC001163650516 1029008534 /nfs/dbraw/zinc/00/85/34/1029008534.db2.gz QAONWYFNFLIIKV-LEWJYISDSA-N 1 3 359.514 2.668 20 0 FFADHO COc1cccc(-c2nc3ccccc3c(NC(=N)NCCCC[NH3+])n2)c1 ZINC001157099082 1029465460 /nfs/dbraw/zinc/46/54/60/1029465460.db2.gz JRZHGAKGGFJQRR-UHFFFAOYSA-N 1 3 364.453 2.981 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCCCOC)C2)N(CC)CC ZINC001111869998 1029649516 /nfs/dbraw/zinc/64/95/16/1029649516.db2.gz VNGWCFMEHXZTDG-ZJOUEHCJSA-N 1 3 367.578 2.894 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCCCOC)C2)N(CC)CC ZINC001111869998 1029649518 /nfs/dbraw/zinc/64/95/18/1029649518.db2.gz VNGWCFMEHXZTDG-ZJOUEHCJSA-N 1 3 367.578 2.894 20 0 FFADHO N[C@@H](CC(=O)N1CCC[C@](F)(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC001157745853 1029655142 /nfs/dbraw/zinc/65/51/42/1029655142.db2.gz OQRCYBXKJFMVFL-GOEBONIOSA-N 1 3 361.383 2.775 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3ncnc4c3ccn4C3CCCC3)CC2)C1 ZINC001158260419 1029775856 /nfs/dbraw/zinc/77/58/56/1029775856.db2.gz DRKOYJGJLPQOLO-HNNXBMFYSA-N 1 3 354.502 2.548 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3ncnc4c3ccn4C3CCCC3)CC2)C1 ZINC001158260419 1029775861 /nfs/dbraw/zinc/77/58/61/1029775861.db2.gz DRKOYJGJLPQOLO-HNNXBMFYSA-N 1 3 354.502 2.548 20 0 FFADHO O=C(c1ccccc1C1CC[NH2+]CC1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158334623 1029801004 /nfs/dbraw/zinc/80/10/04/1029801004.db2.gz BKGPNPUIYXVAQV-FCHUYYIVSA-N 1 3 361.489 2.865 20 0 FFADHO O=C(N1C[C@H]2c3ccccc3CN[C@@H]2C1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001158337248 1029801367 /nfs/dbraw/zinc/80/13/67/1029801367.db2.gz RLHNKGQZEUORGS-VQTJNVASSA-N 1 3 353.510 2.644 20 0 FFADHO Cc1ccc2sc(CNCCCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nc2c1 ZINC001158379498 1029815383 /nfs/dbraw/zinc/81/53/83/1029815383.db2.gz AUBVJTSMFWZPQF-HUUCEWRRSA-N 1 3 360.527 2.541 20 0 FFADHO Cc1ccc2sc(CNCCCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nc2c1 ZINC001158379498 1029815388 /nfs/dbraw/zinc/81/53/88/1029815388.db2.gz AUBVJTSMFWZPQF-HUUCEWRRSA-N 1 3 360.527 2.541 20 0 FFADHO CCC(CC)n1ccc(CNCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1 ZINC001158403882 1029819948 /nfs/dbraw/zinc/81/99/48/1029819948.db2.gz LLNAAZPXPZAAII-RBUKOAKNSA-N 1 3 363.550 2.570 20 0 FFADHO CCC(CC)n1ccc(CNCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001158403882 1029819955 /nfs/dbraw/zinc/81/99/55/1029819955.db2.gz LLNAAZPXPZAAII-RBUKOAKNSA-N 1 3 363.550 2.570 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000841018341 1029980198 /nfs/dbraw/zinc/98/01/98/1029980198.db2.gz SZNANTXCMGVTIG-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO CN(CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001112166948 1030131679 /nfs/dbraw/zinc/13/16/79/1030131679.db2.gz AKBYBFSREXQTAC-HUUCEWRRSA-N 1 3 363.468 2.743 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000841286900 1030159386 /nfs/dbraw/zinc/15/93/86/1030159386.db2.gz HYIVMLIQFLDDNB-LJQANCHMSA-N 1 3 368.481 2.810 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841855955 1030506128 /nfs/dbraw/zinc/50/61/28/1030506128.db2.gz SLMDIVLUXNYPDH-GRERDSQWSA-N 1 3 370.541 2.970 20 0 FFADHO CN(C(=O)NCc1ccc(CC[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000841926523 1030546597 /nfs/dbraw/zinc/54/65/97/1030546597.db2.gz BFQLSNULHLAIPZ-OAQYLSRUSA-N 1 3 366.509 2.604 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cccn1C)CC2 ZINC001203259879 1030652471 /nfs/dbraw/zinc/65/24/71/1030652471.db2.gz LTYINOOFHLVDKH-OAQYLSRUSA-N 1 3 368.525 2.923 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cccn1C)CC2 ZINC001203259879 1030652478 /nfs/dbraw/zinc/65/24/78/1030652478.db2.gz LTYINOOFHLVDKH-OAQYLSRUSA-N 1 3 368.525 2.923 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1)C1CC1 ZINC001112399184 1030742685 /nfs/dbraw/zinc/74/26/85/1030742685.db2.gz GIXZHJYAEQDEHT-XJUOHMSHSA-N 1 3 369.553 2.788 20 0 FFADHO COc1ccc2c(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cc(=O)oc2c1 ZINC000842478827 1030754932 /nfs/dbraw/zinc/75/49/32/1030754932.db2.gz LGEYWLHLNFBNAE-APWZRJJASA-N 1 3 372.465 2.520 20 0 FFADHO C[C@@]1(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)CCN(Cc2ccccc2)C1 ZINC000798395405 1031388502 /nfs/dbraw/zinc/38/85/02/1031388502.db2.gz DPKCXPJXTVLFSV-UNMCSNQZSA-N 1 3 351.494 2.585 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000798487236 1031433841 /nfs/dbraw/zinc/43/38/41/1031433841.db2.gz UEORVMXKTIARDW-IRLDBZIGSA-N 1 3 368.525 2.554 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798487236 1031433852 /nfs/dbraw/zinc/43/38/52/1031433852.db2.gz UEORVMXKTIARDW-IRLDBZIGSA-N 1 3 368.525 2.554 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001150154362 1031674187 /nfs/dbraw/zinc/67/41/87/1031674187.db2.gz LARRHZKVTLBKQH-ICSRJNTNSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC001205386160 1031701567 /nfs/dbraw/zinc/70/15/67/1031701567.db2.gz YWXXZAAEIYUEGI-CVEARBPZSA-N 1 3 354.560 2.586 20 0 FFADHO C[C@H]1CCN(Cc2cc3c(cc2Br)OCO3)CC[C@@H]1C[NH3+] ZINC001205617607 1031876570 /nfs/dbraw/zinc/87/65/70/1031876570.db2.gz LKSQTIPJXFIAPI-NWDGAFQWSA-N 1 3 355.276 2.985 20 0 FFADHO C[C@H]1CCN(Cc2sc(N3CCC(O)CC3)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205626310 1031882768 /nfs/dbraw/zinc/88/27/68/1031882768.db2.gz FPVWPVAXHJWLBQ-QWHCGFSZSA-N 1 3 372.966 2.564 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCF)C1 ZINC001205630291 1031886724 /nfs/dbraw/zinc/88/67/24/1031886724.db2.gz UYKZPRAMLWVONK-FUHWJXTLSA-N 1 3 367.484 2.800 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccc(C(F)F)c3)[C@H]2C1 ZINC001223431132 1033444228 /nfs/dbraw/zinc/44/42/28/1033444228.db2.gz VRTPTZAKLZGSQV-AEFFLSMTSA-N 1 3 365.468 2.999 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001218996565 1033449222 /nfs/dbraw/zinc/44/92/22/1033449222.db2.gz ZOUBFHJKCFILNN-XLIONFOSSA-N 1 3 353.466 2.671 20 0 FFADHO N[C@H](C(=O)Nc1cc(F)cc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001219076018 1033510182 /nfs/dbraw/zinc/51/01/82/1033510182.db2.gz BMUAEKLAHIKWNX-IBGZPJMESA-N 1 3 357.429 2.670 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2c(Br)c[nH]c21 ZINC001219520867 1033674145 /nfs/dbraw/zinc/67/41/45/1033674145.db2.gz ODRWSHMHWQNFLO-ZDUSSCGKSA-N 1 3 367.291 2.928 20 0 FFADHO N[C@@H](C(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2)C1CC[NH2+]CC1 ZINC001219548440 1033686726 /nfs/dbraw/zinc/68/67/26/1033686726.db2.gz XLPAGVCRFBJBPN-LJQANCHMSA-N 1 3 357.404 2.801 20 0 FFADHO COCC[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccc4ncccc4c3)C2)C1 ZINC001138107486 1033771918 /nfs/dbraw/zinc/77/19/18/1033771918.db2.gz WQGHHQPZADDHSK-QFIPXVFZSA-N 1 3 369.509 2.796 20 0 FFADHO COCC[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc4ncccc4c3)C2)C1 ZINC001138107486 1033771928 /nfs/dbraw/zinc/77/19/28/1033771928.db2.gz WQGHHQPZADDHSK-QFIPXVFZSA-N 1 3 369.509 2.796 20 0 FFADHO N[C@H](CC(=O)N(CC[NH3+])c1cccnc1)c1ccc(Cl)cc1Cl ZINC001220263785 1034080930 /nfs/dbraw/zinc/08/09/30/1034080930.db2.gz XOXNMBNCNYOMIS-OAHLLOKOSA-N 1 3 353.253 2.770 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCCN1C)Cc1ccccc1 ZINC001220616931 1034290802 /nfs/dbraw/zinc/29/08/02/1034290802.db2.gz NKYGFUXWPHNLQT-WOJBJXKFSA-N 1 3 360.546 2.723 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)c2)CC1 ZINC001138501587 1034343453 /nfs/dbraw/zinc/34/34/53/1034343453.db2.gz YXNZCZPYMYAVJR-AZUAARDMSA-N 1 3 356.514 2.784 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)c2)CC1 ZINC001138501587 1034343466 /nfs/dbraw/zinc/34/34/66/1034343466.db2.gz YXNZCZPYMYAVJR-AZUAARDMSA-N 1 3 356.514 2.784 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)c2)CC1 ZINC001138501588 1034343529 /nfs/dbraw/zinc/34/35/29/1034343529.db2.gz YXNZCZPYMYAVJR-ICSRJNTNSA-N 1 3 356.514 2.784 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)c2)CC1 ZINC001138501588 1034343541 /nfs/dbraw/zinc/34/35/41/1034343541.db2.gz YXNZCZPYMYAVJR-ICSRJNTNSA-N 1 3 356.514 2.784 20 0 FFADHO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220769208 1034387192 /nfs/dbraw/zinc/38/71/92/1034387192.db2.gz KUDXFGZFFPCGNX-PXNSSMCTSA-N 1 3 356.514 2.712 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001221180725 1034589553 /nfs/dbraw/zinc/58/95/53/1034589553.db2.gz MZVJVRQOMXFSPK-OAQYLSRUSA-N 1 3 370.541 2.743 20 0 FFADHO Cn1cncc1C[C@H](N)C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001221271552 1034636840 /nfs/dbraw/zinc/63/68/40/1034636840.db2.gz FWLXUPGUBPRYFM-HNNXBMFYSA-N 1 3 354.479 2.875 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)cc1 ZINC001138771336 1034638306 /nfs/dbraw/zinc/63/83/06/1034638306.db2.gz MLLVTLZWLMFVRH-UHFFFAOYSA-N 1 3 366.509 2.895 20 0 FFADHO CCc1nc(C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)no1 ZINC001138772862 1034641948 /nfs/dbraw/zinc/64/19/48/1034641948.db2.gz GLGBYQOLTFMAAZ-UHFFFAOYSA-N 1 3 358.486 2.952 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ns1 ZINC001226555283 1034735021 /nfs/dbraw/zinc/73/50/21/1034735021.db2.gz YWMSTCOLOSMSJH-GVDBMIGSSA-N 1 3 370.538 2.648 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCOC ZINC001226615480 1034758682 /nfs/dbraw/zinc/75/86/82/1034758682.db2.gz WFEOSFRZWDPUIA-QRVBRYPASA-N 1 3 353.551 2.695 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC001221472716 1034798352 /nfs/dbraw/zinc/79/83/52/1034798352.db2.gz OJOXZRHKWDOJEW-HKUYNNGSSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC001221472716 1034798359 /nfs/dbraw/zinc/79/83/59/1034798359.db2.gz OJOXZRHKWDOJEW-HKUYNNGSSA-N 1 3 358.530 2.948 20 0 FFADHO Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001139099242 1034936488 /nfs/dbraw/zinc/93/64/88/1034936488.db2.gz UXISDRASCYUWNL-UHFFFAOYSA-N 1 3 369.513 2.536 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC001227150383 1034950542 /nfs/dbraw/zinc/95/05/42/1034950542.db2.gz PLXIYSDTONXANC-GUDVDZBRSA-N 1 3 367.578 2.675 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001227150592 1034951271 /nfs/dbraw/zinc/95/12/71/1034951271.db2.gz VBRJAVMRCPADHP-IAGOWNOFSA-N 1 3 350.507 2.539 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001227150592 1034951280 /nfs/dbraw/zinc/95/12/80/1034951280.db2.gz VBRJAVMRCPADHP-IAGOWNOFSA-N 1 3 350.507 2.539 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001221921826 1035158292 /nfs/dbraw/zinc/15/82/92/1035158292.db2.gz LLQSQWAHODHXKA-NHCUHLMSSA-N 1 3 355.526 2.939 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001221921826 1035158296 /nfs/dbraw/zinc/15/82/96/1035158296.db2.gz LLQSQWAHODHXKA-NHCUHLMSSA-N 1 3 355.526 2.939 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1F ZINC001228366278 1036072883 /nfs/dbraw/zinc/07/28/83/1036072883.db2.gz OLHFZYJMZCMQHY-IAGOWNOFSA-N 1 3 355.885 2.948 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C)[NH+](CC)CC ZINC001228559058 1036176567 /nfs/dbraw/zinc/17/65/67/1036176567.db2.gz LMDCSMBZFQMXKD-KURKYZTESA-N 1 3 350.507 2.620 20 0 FFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cnc3cc[nH]cc1-3)C2 ZINC001140802674 1036180789 /nfs/dbraw/zinc/18/07/89/1036180789.db2.gz AMUOSKPCXTUIEW-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cnc3cc[nH]cc1-3)C2 ZINC001140802674 1036180796 /nfs/dbraw/zinc/18/07/96/1036180796.db2.gz AMUOSKPCXTUIEW-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1c[nH]c3ccncc13)C2 ZINC001140802674 1036180802 /nfs/dbraw/zinc/18/08/02/1036180802.db2.gz AMUOSKPCXTUIEW-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1c[nH]c3ccncc13)C2 ZINC001140802674 1036180808 /nfs/dbraw/zinc/18/08/08/1036180808.db2.gz AMUOSKPCXTUIEW-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1)CC(C)(C)C ZINC001228624162 1036213548 /nfs/dbraw/zinc/21/35/48/1036213548.db2.gz RQHRTPXIPZYGSA-IPMKNSEASA-N 1 3 367.578 2.941 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1)CC(C)(C)C ZINC001228647116 1036230012 /nfs/dbraw/zinc/23/00/12/1036230012.db2.gz PJAMGXKXCIMUMN-QZTJIDSGSA-N 1 3 353.551 2.550 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N(C)C)c1)N(C)C ZINC001228647695 1036230154 /nfs/dbraw/zinc/23/01/54/1036230154.db2.gz WPOKNAZSYAXLBF-AQNXPRMDSA-N 1 3 360.546 2.610 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001229181225 1036536224 /nfs/dbraw/zinc/53/62/24/1036536224.db2.gz SFHFVXGEUNGNCK-XUVXKRRUSA-N 1 3 367.578 2.942 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC001229213413 1036556137 /nfs/dbraw/zinc/55/61/37/1036556137.db2.gz IQZXVLUJIJJVTQ-WOJBJXKFSA-N 1 3 361.530 2.814 20 0 FFADHO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001233779833 1036760974 /nfs/dbraw/zinc/76/09/74/1036760974.db2.gz JLGAAGBSLONJDV-UHFFFAOYSA-N 1 3 369.513 2.976 20 0 FFADHO Cc1ccncc1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001141034208 1036789741 /nfs/dbraw/zinc/78/97/41/1036789741.db2.gz UIMVHTOUPBRKRS-YPAWHYETSA-N 1 3 373.541 2.870 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC001229877028 1036953036 /nfs/dbraw/zinc/95/30/36/1036953036.db2.gz JSFMTBQYAVTXBM-WOJBJXKFSA-N 1 3 361.530 2.814 20 0 FFADHO Cc1cccc(CN2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)c1Cl ZINC001277868192 1037104953 /nfs/dbraw/zinc/10/49/53/1037104953.db2.gz ZRXTXMVYPJGREX-QGZVFWFLSA-N 1 3 363.933 2.928 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)c1C ZINC001230284932 1037195601 /nfs/dbraw/zinc/19/56/01/1037195601.db2.gz YHDQIVHULZQGTO-RTBURBONSA-N 1 3 361.530 2.861 20 0 FFADHO CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286178 1037195676 /nfs/dbraw/zinc/19/56/76/1037195676.db2.gz DVMGTEJFKSDXIK-QRVBRYPASA-N 1 3 353.551 2.550 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001230341323 1037235393 /nfs/dbraw/zinc/23/53/93/1037235393.db2.gz BEZCPLCARJIADQ-QZTJIDSGSA-N 1 3 364.559 2.926 20 0 FFADHO CCCN1C[C@@H]2C[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC001207198725 1037236732 /nfs/dbraw/zinc/23/67/32/1037236732.db2.gz UGCHAXGIGCRAOP-QZTJIDSGSA-N 1 3 351.535 2.907 20 0 FFADHO CCC[NH+]1C[C@@H]2CN(CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC001207198725 1037236740 /nfs/dbraw/zinc/23/67/40/1037236740.db2.gz UGCHAXGIGCRAOP-QZTJIDSGSA-N 1 3 351.535 2.907 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001207280745 1037310490 /nfs/dbraw/zinc/31/04/90/1037310490.db2.gz UXBFVZOJFWBWLC-GHTZIAJQSA-N 1 3 361.530 2.919 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001207280745 1037310507 /nfs/dbraw/zinc/31/05/07/1037310507.db2.gz UXBFVZOJFWBWLC-GHTZIAJQSA-N 1 3 361.530 2.919 20 0 FFADHO CN(Cc1ccc(F)cc1)C1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC001207306614 1037336328 /nfs/dbraw/zinc/33/63/28/1037336328.db2.gz YOKHTIODHPZXPQ-UHFFFAOYSA-N 1 3 363.521 2.833 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC001207306614 1037336337 /nfs/dbraw/zinc/33/63/37/1037336337.db2.gz YOKHTIODHPZXPQ-UHFFFAOYSA-N 1 3 363.521 2.833 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC001207306614 1037336344 /nfs/dbraw/zinc/33/63/44/1037336344.db2.gz YOKHTIODHPZXPQ-UHFFFAOYSA-N 1 3 363.521 2.833 20 0 FFADHO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC[NH+](C)CC2)cs1 ZINC001207396991 1037413999 /nfs/dbraw/zinc/41/39/99/1037413999.db2.gz BISJVDRRHJQQJC-IPMKNSEASA-N 1 3 365.543 2.542 20 0 FFADHO CC(=O)Oc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc1OC(C)=O ZINC001235243289 1037430527 /nfs/dbraw/zinc/43/05/27/1037430527.db2.gz WSQWRWLJACHLCJ-LJQANCHMSA-N 1 3 374.481 2.891 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(Cl)cc3F)C[C@@H]1CC[NH2+]CC2 ZINC001235348604 1037495364 /nfs/dbraw/zinc/49/53/64/1037495364.db2.gz DSMWICPIXWTJRT-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO Brc1cccc(CCC[N@@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)c1 ZINC001235367938 1037510022 /nfs/dbraw/zinc/51/00/22/1037510022.db2.gz LNJXEISSHSTAMA-CGTJXYLNSA-N 1 3 365.315 2.835 20 0 FFADHO Brc1cccc(CCC[N@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)c1 ZINC001235367938 1037510033 /nfs/dbraw/zinc/51/00/33/1037510033.db2.gz LNJXEISSHSTAMA-CGTJXYLNSA-N 1 3 365.315 2.835 20 0 FFADHO CCc1cc(Br)ccc1CN1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235377806 1037515908 /nfs/dbraw/zinc/51/59/08/1037515908.db2.gz DJMSKFUUMAJEPJ-CGTJXYLNSA-N 1 3 365.315 2.964 20 0 FFADHO NC(=O)C1CCN(C2CC[NH+](CCCc3cccc(Cl)c3)CC2)CC1 ZINC001207590706 1037582145 /nfs/dbraw/zinc/58/21/45/1037582145.db2.gz SVKPKORDIIXUNX-UHFFFAOYSA-N 1 3 363.933 2.934 20 0 FFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC001207611066 1037597448 /nfs/dbraw/zinc/59/74/48/1037597448.db2.gz NCABYVYPQHXNJR-HKBOAZHASA-N 1 3 353.514 2.696 20 0 FFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC001207611066 1037597463 /nfs/dbraw/zinc/59/74/63/1037597463.db2.gz NCABYVYPQHXNJR-HKBOAZHASA-N 1 3 353.514 2.696 20 0 FFADHO Cc1ncn(C)c1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235544478 1037619169 /nfs/dbraw/zinc/61/91/69/1037619169.db2.gz WQMUMGVVEDGNEW-FQEVSTJZSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1ncn(C)c1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235544478 1037619186 /nfs/dbraw/zinc/61/91/86/1037619186.db2.gz WQMUMGVVEDGNEW-FQEVSTJZSA-N 1 3 368.525 2.984 20 0 FFADHO CNC(=O)C[N@@H+]1CCCC12CCN(CC[C@@H](C)CCCC(C)(C)O)CC2 ZINC001207638488 1037626040 /nfs/dbraw/zinc/62/60/40/1037626040.db2.gz CCCSGSYYUXAXSU-SFHVURJKSA-N 1 3 367.578 2.630 20 0 FFADHO CNC(=O)C[N@H+]1CCCC12CCN(CC[C@@H](C)CCCC(C)(C)O)CC2 ZINC001207638488 1037626051 /nfs/dbraw/zinc/62/60/51/1037626051.db2.gz CCCSGSYYUXAXSU-SFHVURJKSA-N 1 3 367.578 2.630 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C)[NH+](C)C ZINC001207641560 1037628268 /nfs/dbraw/zinc/62/82/68/1037628268.db2.gz SYJCSAPAIHXYQZ-ZTNFWEORSA-N 1 3 357.498 2.956 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1C ZINC001207653034 1037630246 /nfs/dbraw/zinc/63/02/46/1037630246.db2.gz UQONAHNUZFXDSY-ZTNFWEORSA-N 1 3 361.530 2.526 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](OC)c2ccccc2)C[C@H]1C ZINC001207757425 1037696436 /nfs/dbraw/zinc/69/64/36/1037696436.db2.gz BNFOKWKTCZIUAM-BHIYHBOVSA-N 1 3 361.530 2.541 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](OC)c2ccccc2)C[C@H]1C ZINC001207757425 1037696442 /nfs/dbraw/zinc/69/64/42/1037696442.db2.gz BNFOKWKTCZIUAM-BHIYHBOVSA-N 1 3 361.530 2.541 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001207757586 1037697860 /nfs/dbraw/zinc/69/78/60/1037697860.db2.gz GTWLSXBWLXPSJU-NVXWUHKLSA-N 1 3 351.560 2.848 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001207757586 1037697870 /nfs/dbraw/zinc/69/78/70/1037697870.db2.gz GTWLSXBWLXPSJU-NVXWUHKLSA-N 1 3 351.560 2.848 20 0 FFADHO CC1(C)[C@@H]2CN(Cc3cc(Br)ccc3N3CC[NH2+]CC3)C[C@@H]21 ZINC001235893331 1037820900 /nfs/dbraw/zinc/82/09/00/1037820900.db2.gz MRVNIUJKBHFFJF-IYBDPMFKSA-N 1 3 364.331 2.947 20 0 FFADHO C[C@@H](C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1)c1ccccc1 ZINC001207903493 1037828769 /nfs/dbraw/zinc/82/87/69/1037828769.db2.gz LBSUQSYRSJHIGU-SFHVURJKSA-N 1 3 353.510 2.614 20 0 FFADHO C[C@@H](C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1)c1ccccc1 ZINC001207903493 1037828782 /nfs/dbraw/zinc/82/87/82/1037828782.db2.gz LBSUQSYRSJHIGU-SFHVURJKSA-N 1 3 353.510 2.614 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(-c4ccccn4)cc3)C[C@H]1CNCC2 ZINC001236039384 1037901056 /nfs/dbraw/zinc/90/10/56/1037901056.db2.gz SBJQUZCNNAINTE-DENIHFKCSA-N 1 3 365.477 2.723 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(-c4ccccn4)cc3)C[C@H]1CNCC2 ZINC001236039384 1037901065 /nfs/dbraw/zinc/90/10/65/1037901065.db2.gz SBJQUZCNNAINTE-DENIHFKCSA-N 1 3 365.477 2.723 20 0 FFADHO CCOC(=O)[C@]12CN(Cc3ccccc3-c3ccncc3)C[C@H]1C[NH2+]CC2 ZINC001236039891 1037902692 /nfs/dbraw/zinc/90/26/92/1037902692.db2.gz FXSMVBAVFXDLKZ-DENIHFKCSA-N 1 3 365.477 2.723 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc4nc(Cl)ccc4c3)C[C@H]1CNCC2 ZINC001236040731 1037903531 /nfs/dbraw/zinc/90/35/31/1037903531.db2.gz NECSBOIKIREMMP-OXQOHEQNSA-N 1 3 373.884 2.863 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc4nc(Cl)ccc4c3)C[C@H]1CNCC2 ZINC001236040731 1037903538 /nfs/dbraw/zinc/90/35/38/1037903538.db2.gz NECSBOIKIREMMP-OXQOHEQNSA-N 1 3 373.884 2.863 20 0 FFADHO Cc1cc(CN2CCC([NH+]3CCNCC3)CC2)cc(C)c1Br ZINC001236128949 1037943566 /nfs/dbraw/zinc/94/35/66/1037943566.db2.gz QYYWYMGMVVYEDW-UHFFFAOYSA-N 1 3 366.347 2.936 20 0 FFADHO COc1ccc(CN2CCC(N3CC[NH2+]CC3)CC2)cc1OC1CCCC1 ZINC001236129580 1037943955 /nfs/dbraw/zinc/94/39/55/1037943955.db2.gz VDFKAAWMDNQLKG-UHFFFAOYSA-N 1 3 373.541 2.886 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC001231906255 1037999257 /nfs/dbraw/zinc/99/92/57/1037999257.db2.gz DKRYIGYGIKLHKO-TZIWHRDSSA-N 1 3 354.498 2.743 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC001231906255 1037999272 /nfs/dbraw/zinc/99/92/72/1037999272.db2.gz DKRYIGYGIKLHKO-TZIWHRDSSA-N 1 3 354.498 2.743 20 0 FFADHO Cc1cccnc1O[C@H]1CCCN(Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001236536324 1038124884 /nfs/dbraw/zinc/12/48/84/1038124884.db2.gz NSLGWCQZOSVBEP-NRFANRHFSA-N 1 3 366.509 2.843 20 0 FFADHO CC[NH+](CC)CCN1CCN(CC2(c3ccccc3)CCOCC2)CC1 ZINC001208217966 1038147654 /nfs/dbraw/zinc/14/76/54/1038147654.db2.gz ULCLVICTBCZUNR-UHFFFAOYSA-N 1 3 359.558 2.694 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1 ZINC001232147981 1038198206 /nfs/dbraw/zinc/19/82/06/1038198206.db2.gz FFIOGLPCKJASIZ-QZTJIDSGSA-N 1 3 371.456 2.684 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255941499 1038266502 /nfs/dbraw/zinc/26/65/02/1038266502.db2.gz SCUQNRNEBBAYBP-OOKSDGMUSA-N 1 3 369.550 2.863 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001255962816 1038278026 /nfs/dbraw/zinc/27/80/26/1038278026.db2.gz ZXIQMLLWZARAQY-KSEOMHKRSA-N 1 3 374.573 2.725 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)C1 ZINC001208611110 1038444758 /nfs/dbraw/zinc/44/47/58/1038444758.db2.gz UQXKZYWHDGHPNY-IRFCIJBXSA-N 1 3 359.514 2.673 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)C1 ZINC001208611110 1038444764 /nfs/dbraw/zinc/44/47/64/1038444764.db2.gz UQXKZYWHDGHPNY-IRFCIJBXSA-N 1 3 359.514 2.673 20 0 FFADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](C[C@H](C)OCc3ccccc3)CC2)C1 ZINC001208704823 1038493048 /nfs/dbraw/zinc/49/30/48/1038493048.db2.gz PQYWYJVKDYFLNP-AZUAARDMSA-N 1 3 374.525 2.941 20 0 FFADHO CC(C)(C)N1CCC([NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)CC1 ZINC001256570966 1038563867 /nfs/dbraw/zinc/56/38/67/1038563867.db2.gz UNVHWCMQMVEOHH-IBGZPJMESA-N 1 3 370.541 2.783 20 0 FFADHO CC(C)(C)N1CCC([N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)CC1 ZINC001256573384 1038565301 /nfs/dbraw/zinc/56/53/01/1038565301.db2.gz OCJUIDQMXABJSH-FPOVZHCZSA-N 1 3 359.514 2.957 20 0 FFADHO CC(C)(C)N1CCC([N@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)CC1 ZINC001256573384 1038565307 /nfs/dbraw/zinc/56/53/07/1038565307.db2.gz OCJUIDQMXABJSH-FPOVZHCZSA-N 1 3 359.514 2.957 20 0 FFADHO CC(C)(O)CCN1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208942435 1038597333 /nfs/dbraw/zinc/59/73/33/1038597333.db2.gz IEWXAZIJNYYKOD-OAQYLSRUSA-N 1 3 359.558 2.677 20 0 FFADHO CC(C)(O)CCN1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208942435 1038597342 /nfs/dbraw/zinc/59/73/42/1038597342.db2.gz IEWXAZIJNYYKOD-OAQYLSRUSA-N 1 3 359.558 2.677 20 0 FFADHO Brc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)nc1 ZINC001256676269 1038598337 /nfs/dbraw/zinc/59/83/37/1038598337.db2.gz AQOCVDVXAGTQCZ-UHFFFAOYSA-N 1 3 354.292 2.577 20 0 FFADHO CCOC(=O)Cc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256678839 1038599521 /nfs/dbraw/zinc/59/95/21/1038599521.db2.gz RKRJBPJULXPJHS-UHFFFAOYSA-N 1 3 360.498 2.525 20 0 FFADHO O=C(c1ccccc1)N1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256677668 1038599724 /nfs/dbraw/zinc/59/97/24/1038599724.db2.gz GYJVDHQQZUPEFK-UHFFFAOYSA-N 1 3 371.525 2.524 20 0 FFADHO CC(C)(C)C(=O)N1CCC(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686197 1038602675 /nfs/dbraw/zinc/60/26/75/1038602675.db2.gz LEAGANMUKQDLEJ-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO COc1cc2c(cc1OC)[C@H](C[NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256688618 1038604132 /nfs/dbraw/zinc/60/41/32/1038604132.db2.gz HOWDVNHOAFVHOG-AOCRQIFASA-N 1 3 360.498 2.577 20 0 FFADHO Fc1cnc(O[C@H]2CC[N@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965286 1038610031 /nfs/dbraw/zinc/61/00/31/1038610031.db2.gz YEMWXNKSJONKKM-HKUYNNGSSA-N 1 3 356.445 2.591 20 0 FFADHO Fc1cnc(O[C@H]2CC[N@@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965286 1038610034 /nfs/dbraw/zinc/61/00/34/1038610034.db2.gz YEMWXNKSJONKKM-HKUYNNGSSA-N 1 3 356.445 2.591 20 0 FFADHO c1coc(C[N@H+]2C[C@@H]3C[C@@H](CN(CC4CCC5(CC4)OCCO5)C3)C2)c1 ZINC001209103514 1038666488 /nfs/dbraw/zinc/66/64/88/1038666488.db2.gz XONWYJJLPUWNSY-KDURUIRLSA-N 1 3 360.498 2.967 20 0 FFADHO c1coc(C[N@@H+]2C[C@@H]3C[C@@H](CN(CC4CCC5(CC4)OCCO5)C3)C2)c1 ZINC001209103514 1038666489 /nfs/dbraw/zinc/66/64/89/1038666489.db2.gz XONWYJJLPUWNSY-KDURUIRLSA-N 1 3 360.498 2.967 20 0 FFADHO c1cncc(CCC[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001209174089 1038698408 /nfs/dbraw/zinc/69/84/08/1038698408.db2.gz JNFCGXGANFBEDQ-FGZHOGPDSA-N 1 3 366.509 2.632 20 0 FFADHO c1cncc(CCC[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001209174089 1038698411 /nfs/dbraw/zinc/69/84/11/1038698411.db2.gz JNFCGXGANFBEDQ-FGZHOGPDSA-N 1 3 366.509 2.632 20 0 FFADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001257212167 1038745650 /nfs/dbraw/zinc/74/56/50/1038745650.db2.gz WMQNMVQVAYQULN-CQSZACIVSA-N 1 3 357.424 2.537 20 0 FFADHO CC(C)N1CCC([N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001257223777 1038749869 /nfs/dbraw/zinc/74/98/69/1038749869.db2.gz ZMZVWPPPKFYUBX-HXUWFJFHSA-N 1 3 367.534 2.571 20 0 FFADHO CC(C)N1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001257223777 1038749874 /nfs/dbraw/zinc/74/98/74/1038749874.db2.gz ZMZVWPPPKFYUBX-HXUWFJFHSA-N 1 3 367.534 2.571 20 0 FFADHO CC[NH+](CC)CCCN1CCN(CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209363833 1038781175 /nfs/dbraw/zinc/78/11/75/1038781175.db2.gz CPFPAOWYNZZTOL-UHFFFAOYSA-N 1 3 370.582 2.641 20 0 FFADHO Cc1n[nH]cc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209552130 1038981916 /nfs/dbraw/zinc/98/19/16/1038981916.db2.gz CXQIQORRNVDDDD-FQEVSTJZSA-N 1 3 354.498 2.974 20 0 FFADHO Cc1n[nH]cc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209552130 1038981926 /nfs/dbraw/zinc/98/19/26/1038981926.db2.gz CXQIQORRNVDDDD-FQEVSTJZSA-N 1 3 354.498 2.974 20 0 FFADHO C[C@@H](C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1)CC(F)(F)F ZINC001276657993 1039060142 /nfs/dbraw/zinc/06/01/42/1039060142.db2.gz WRWGBJXSCIXYBO-OAHLLOKOSA-N 1 3 363.468 2.841 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001251411349 1039116272 /nfs/dbraw/zinc/11/62/72/1039116272.db2.gz FHVJNDZYYOZJEL-INIZCTEOSA-N 1 3 368.472 2.522 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001251411734 1039118232 /nfs/dbraw/zinc/11/82/32/1039118232.db2.gz HUKJSCQEKAANLL-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001251411734 1039118239 /nfs/dbraw/zinc/11/82/39/1039118239.db2.gz HUKJSCQEKAANLL-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO COc1ncc(C[NH2+][C@@]23CC[C@@](NCc4cn[nH]c4)(C2)CCC3)cc1F ZINC001278420127 1039140983 /nfs/dbraw/zinc/14/09/83/1039140983.db2.gz GCZZGZUUWFOLIC-RBUKOAKNSA-N 1 3 359.449 2.677 20 0 FFADHO CCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1c[nH+]ccc1N)CC2 ZINC001209730337 1039166371 /nfs/dbraw/zinc/16/63/71/1039166371.db2.gz IRCUZZGVLIMGDF-IBGZPJMESA-N 1 3 364.493 2.865 20 0 FFADHO CC(C)[C@H]([NH2+]C[C@@]1(O)CCCNC1)C(O)(c1ccccc1)c1ccccc1 ZINC001246006850 1039186818 /nfs/dbraw/zinc/18/68/18/1039186818.db2.gz YKDUTEXHUVZGOU-FCHUYYIVSA-N 1 3 368.521 2.651 20 0 FFADHO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246008653 1039189064 /nfs/dbraw/zinc/18/90/64/1039189064.db2.gz DKFWLXWXJVXVNZ-GBESFXJTSA-N 1 3 364.530 2.653 20 0 FFADHO O[C@H](CN[C@@H](C1CC1)C1C[NH2+]C1)COc1cccc2[nH]c3ccccc3c21 ZINC001246018936 1039194670 /nfs/dbraw/zinc/19/46/70/1039194670.db2.gz HNRYDICEKZQADC-ZHRRBRCNSA-N 1 3 365.477 2.648 20 0 FFADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246312056 1039310092 /nfs/dbraw/zinc/31/00/92/1039310092.db2.gz FEIUKXUOWJPTDC-ZJIFWQFVSA-N 1 3 370.534 2.782 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCCN1CN[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246350620 1039319616 /nfs/dbraw/zinc/31/96/16/1039319616.db2.gz NKFOAIWDDRORNM-ZWOKBUDYSA-N 1 3 351.535 2.652 20 0 FFADHO O=C(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+]C2CCNCC2)CC1 ZINC001246425419 1039350133 /nfs/dbraw/zinc/35/01/33/1039350133.db2.gz BMEYKWRUJHJMFK-UHFFFAOYSA-N 1 3 355.404 2.652 20 0 FFADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246458821 1039361270 /nfs/dbraw/zinc/36/12/70/1039361270.db2.gz CHLMFWIDLNRYEE-LOESLIKQSA-N 1 3 356.510 2.917 20 0 FFADHO COC(=O)c1ccccc1CC[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246479046 1039366045 /nfs/dbraw/zinc/36/60/45/1039366045.db2.gz QORVXSQXYUSTMM-UXHICEINSA-N 1 3 352.478 2.969 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1[C@@H]1CCc3cc(F)ccc3C1)CC[NH2+]CC2 ZINC001246604027 1039411157 /nfs/dbraw/zinc/41/11/57/1039411157.db2.gz QGKVWJAZJQLETF-MOPGFXCFSA-N 1 3 360.473 2.690 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001246637576 1039423692 /nfs/dbraw/zinc/42/36/92/1039423692.db2.gz YQNAQIZKAOHSOI-CRAIPNDOSA-N 1 3 366.347 2.798 20 0 FFADHO COc1ccc2cc(CC[C@H](C)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)ccc2c1 ZINC001246648522 1039426812 /nfs/dbraw/zinc/42/68/12/1039426812.db2.gz ZBRBZWGMXQATCG-AQKFKSFVSA-N 1 3 354.494 2.683 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246674651 1039435289 /nfs/dbraw/zinc/43/52/89/1039435289.db2.gz VKBKVCSGSKPRFW-DWLFOUALSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246674651 1039435298 /nfs/dbraw/zinc/43/52/98/1039435298.db2.gz VKBKVCSGSKPRFW-DWLFOUALSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246674651 1039435303 /nfs/dbraw/zinc/43/53/03/1039435303.db2.gz VKBKVCSGSKPRFW-DWLFOUALSA-N 1 3 357.542 2.887 20 0 FFADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCC(=O)N(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001258591188 1039444416 /nfs/dbraw/zinc/44/44/16/1039444416.db2.gz QGPOCOITPNWOBQ-HBMCJLEFSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)N(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001258591188 1039444424 /nfs/dbraw/zinc/44/44/24/1039444424.db2.gz QGPOCOITPNWOBQ-HBMCJLEFSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)Cc3cccnc3)cc2)CC1 ZINC001258611969 1039454831 /nfs/dbraw/zinc/45/48/31/1039454831.db2.gz QWCDMMDJTVYQGI-IBGZPJMESA-N 1 3 352.526 2.940 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@H]3CN([C@H]4CCC5(C4)CC[NH2+]CC5)CCN3C2)c1 ZINC001246741427 1039459384 /nfs/dbraw/zinc/45/93/84/1039459384.db2.gz ABERPYRYLMJWGW-IRFCIJBXSA-N 1 3 373.516 2.885 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C2CC[NH2+]CC2)C3)n1 ZINC001246753560 1039464972 /nfs/dbraw/zinc/46/49/72/1039464972.db2.gz NPVKSRQMVHCWMG-NHCUHLMSSA-N 1 3 359.514 2.530 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+](C2CCNCC2)C3)n1 ZINC001246753560 1039464975 /nfs/dbraw/zinc/46/49/75/1039464975.db2.gz NPVKSRQMVHCWMG-NHCUHLMSSA-N 1 3 359.514 2.530 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](C2CCNCC2)C3)n1 ZINC001246753560 1039464977 /nfs/dbraw/zinc/46/49/77/1039464977.db2.gz NPVKSRQMVHCWMG-NHCUHLMSSA-N 1 3 359.514 2.530 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)CC[NH2+]1 ZINC001246767785 1039473285 /nfs/dbraw/zinc/47/32/85/1039473285.db2.gz NJGMGLMLMJHTJZ-CWJKEVGVSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)CCN1 ZINC001246767785 1039473291 /nfs/dbraw/zinc/47/32/91/1039473291.db2.gz NJGMGLMLMJHTJZ-CWJKEVGVSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)CCN1 ZINC001246767785 1039473299 /nfs/dbraw/zinc/47/32/99/1039473299.db2.gz NJGMGLMLMJHTJZ-CWJKEVGVSA-N 1 3 359.514 2.610 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)CC1 ZINC001258772998 1039508544 /nfs/dbraw/zinc/50/85/44/1039508544.db2.gz AYDWGGQWCFWJKE-IBGZPJMESA-N 1 3 365.562 2.504 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001246873580 1039511434 /nfs/dbraw/zinc/51/14/34/1039511434.db2.gz TUHQUEHJHNUIRT-HZPDHXFCSA-N 1 3 354.325 2.958 20 0 FFADHO COC(=O)c1ccc(C[C@@H](C)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001246878225 1039515426 /nfs/dbraw/zinc/51/54/26/1039515426.db2.gz JYMLZAWMZANZDL-OAOOKAIFSA-N 1 3 364.489 2.877 20 0 FFADHO COc1cccc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210432911 1039544404 /nfs/dbraw/zinc/54/44/04/1039544404.db2.gz HYKIVUUZIGLVQQ-FUHIMQAGSA-N 1 3 361.530 2.925 20 0 FFADHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccco1 ZINC001252651030 1039632909 /nfs/dbraw/zinc/63/29/09/1039632909.db2.gz PREMDCSCHLNTIZ-PLACYPQZSA-N 1 3 370.493 2.942 20 0 FFADHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccco1 ZINC001252651030 1039632921 /nfs/dbraw/zinc/63/29/21/1039632921.db2.gz PREMDCSCHLNTIZ-PLACYPQZSA-N 1 3 370.493 2.942 20 0 FFADHO C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4CC5CCN4CC5)n3)c2)CC1 ZINC001247371736 1039730962 /nfs/dbraw/zinc/73/09/62/1039730962.db2.gz MVFMWVRPIPIFSD-IBGZPJMESA-N 1 3 367.497 2.641 20 0 FFADHO CN(C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001253024057 1039927091 /nfs/dbraw/zinc/92/70/91/1039927091.db2.gz QNJHEBFSERXKBF-SLFFLAALSA-N 1 3 358.530 2.775 20 0 FFADHO FC(F)(F)Oc1cc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)ccc1Cl ZINC001247830603 1039977463 /nfs/dbraw/zinc/97/74/63/1039977463.db2.gz OKEVELFDGCPRCB-SECBINFHSA-N 1 3 374.750 2.565 20 0 FFADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC001253215631 1040051820 /nfs/dbraw/zinc/05/18/20/1040051820.db2.gz ZPGAJKADKJMZTM-IAGOWNOFSA-N 1 3 355.320 2.599 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 ZINC001253406055 1040156309 /nfs/dbraw/zinc/15/63/09/1040156309.db2.gz YBEDWENVNLDYKH-APMMTJHUSA-N 1 3 369.550 2.695 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 ZINC001253406055 1040156314 /nfs/dbraw/zinc/15/63/14/1040156314.db2.gz YBEDWENVNLDYKH-APMMTJHUSA-N 1 3 369.550 2.695 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001253410935 1040159184 /nfs/dbraw/zinc/15/91/84/1040159184.db2.gz XPSAVLSEMMAPHB-MRXNPFEDSA-N 1 3 355.473 2.911 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001253410935 1040159191 /nfs/dbraw/zinc/15/91/91/1040159191.db2.gz XPSAVLSEMMAPHB-MRXNPFEDSA-N 1 3 355.473 2.911 20 0 FFADHO C[NH+]1CCN(Cc2cccc(-c3noc([C@@H](N)CC(C)(C)C)n3)c2)CC1 ZINC001248190258 1040165274 /nfs/dbraw/zinc/16/52/74/1040165274.db2.gz NYMVECQYTAXIFC-KRWDZBQOSA-N 1 3 357.502 2.920 20 0 FFADHO COCc1ccc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)s1 ZINC001278725378 1040212847 /nfs/dbraw/zinc/21/28/47/1040212847.db2.gz SGMPUSAWRGKOMO-LJQANCHMSA-N 1 3 351.560 2.744 20 0 FFADHO COCc1ccc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)s1 ZINC001278725378 1040212851 /nfs/dbraw/zinc/21/28/51/1040212851.db2.gz SGMPUSAWRGKOMO-LJQANCHMSA-N 1 3 351.560 2.744 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253687068 1040319403 /nfs/dbraw/zinc/31/94/03/1040319403.db2.gz SDTGPJDVMWHGRA-XUVXKRRUSA-N 1 3 374.525 2.533 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253687068 1040319421 /nfs/dbraw/zinc/31/94/21/1040319421.db2.gz SDTGPJDVMWHGRA-XUVXKRRUSA-N 1 3 374.525 2.533 20 0 FFADHO CC(C)(C)[C@@H](O)CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001253726076 1040343460 /nfs/dbraw/zinc/34/34/60/1040343460.db2.gz IIQXNAJWCGBGNG-ONTIZHBOSA-N 1 3 364.574 2.854 20 0 FFADHO CC(C)(C)[C@@H](O)CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001253726076 1040343463 /nfs/dbraw/zinc/34/34/63/1040343463.db2.gz IIQXNAJWCGBGNG-ONTIZHBOSA-N 1 3 364.574 2.854 20 0 FFADHO Cn1c(=O)cccc1CN1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001248806268 1040443182 /nfs/dbraw/zinc/44/31/82/1040443182.db2.gz ZVSBHVPVHCUWEA-IBGZPJMESA-N 1 3 355.482 2.855 20 0 FFADHO Cn1c(=O)cccc1CN1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001248806268 1040443191 /nfs/dbraw/zinc/44/31/91/1040443191.db2.gz ZVSBHVPVHCUWEA-IBGZPJMESA-N 1 3 355.482 2.855 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC001253947880 1040466382 /nfs/dbraw/zinc/46/63/82/1040466382.db2.gz SYWGDJFWFYCKHL-RBUKOAKNSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC001253947880 1040466389 /nfs/dbraw/zinc/46/63/89/1040466389.db2.gz SYWGDJFWFYCKHL-RBUKOAKNSA-N 1 3 362.493 2.745 20 0 FFADHO OC1(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)CCN(Cc2ccccc2)CC1 ZINC001254039737 1040539937 /nfs/dbraw/zinc/53/99/37/1040539937.db2.gz JAGGKJTXNWLAJV-IBGZPJMESA-N 1 3 366.452 2.514 20 0 FFADHO OC1(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)CCN(Cc2ccccc2)CC1 ZINC001254039737 1040539947 /nfs/dbraw/zinc/53/99/47/1040539947.db2.gz JAGGKJTXNWLAJV-IBGZPJMESA-N 1 3 366.452 2.514 20 0 FFADHO CC(C)[C@H]1c2[nH]cnc2CCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254041381 1040543319 /nfs/dbraw/zinc/54/33/19/1040543319.db2.gz JMZSQCJCTKUFAZ-NRFANRHFSA-N 1 3 368.525 2.992 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868060 1041009608 /nfs/dbraw/zinc/00/96/08/1041009608.db2.gz JURXTMQFRYPOSU-SBUVDCAVSA-N 1 3 365.562 2.814 20 0 FFADHO CCCN1C[C@@H]2C[NH+](C3C[C@@H]4COC[C@H](C3)N4Cc3ccccc3)C[C@H]2C1 ZINC001255009426 1041100986 /nfs/dbraw/zinc/10/09/86/1041100986.db2.gz HOOUBEFWZFOJQV-MKSZZOGSSA-N 1 3 369.553 2.692 20 0 FFADHO C[NH2+][C@H](C)CCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001261372082 1041193534 /nfs/dbraw/zinc/19/35/34/1041193534.db2.gz LDUGTGQCUGDSSF-CYBMUJFWSA-N 1 3 368.909 2.933 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001255337242 1041274564 /nfs/dbraw/zinc/27/45/64/1041274564.db2.gz INYWHIBEECRBSK-LEWJYISDSA-N 1 3 373.541 2.646 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCc3ccccc3C[NH3+])cc2)CC1 ZINC001261502533 1041276013 /nfs/dbraw/zinc/27/60/13/1041276013.db2.gz PNKODNAQBDJKNU-UHFFFAOYSA-N 1 3 366.509 2.606 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001255351360 1041283505 /nfs/dbraw/zinc/28/35/05/1041283505.db2.gz XGHMHWBLDZXNFK-PKOBYXMFSA-N 1 3 352.519 2.589 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(CC2CCC2)CC1)COc1ccc(Cl)cc1 ZINC001250689540 1041302496 /nfs/dbraw/zinc/30/24/96/1041302496.db2.gz AVKJLPZEGJCWIR-SFHVURJKSA-N 1 3 352.906 2.934 20 0 FFADHO c1ccc(CN2CCC[C@H]([N@@H+]3CC[C@H](Oc4ncccn4)C3)CC2)cc1 ZINC001255410420 1041329613 /nfs/dbraw/zinc/32/96/13/1041329613.db2.gz WTRWZNGCHGSJPE-PMACEKPBSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@H]([N@H+]3CC[C@H](Oc4ncccn4)C3)CC2)cc1 ZINC001255410420 1041329624 /nfs/dbraw/zinc/32/96/24/1041329624.db2.gz WTRWZNGCHGSJPE-PMACEKPBSA-N 1 3 352.482 2.984 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1(C)C ZINC001262040134 1041524266 /nfs/dbraw/zinc/52/42/66/1041524266.db2.gz GIQDINNOYFPWCZ-UWJYYQICSA-N 1 3 365.562 2.776 20 0 FFADHO Cc1cccc([C@H](O)C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001262569977 1041728140 /nfs/dbraw/zinc/72/81/40/1041728140.db2.gz JZGBJAUFAQOYPI-OAQYLSRUSA-N 1 3 354.494 2.645 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCCCc3ccccc3)C2)C1 ZINC001215540867 1041820758 /nfs/dbraw/zinc/82/07/58/1041820758.db2.gz SNNKILAIYCOKBC-SFHLNBCPSA-N 1 3 357.542 2.788 20 0 FFADHO CCCOc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CCC)C[C@H]2C)c1 ZINC001216510915 1042045476 /nfs/dbraw/zinc/04/54/76/1042045476.db2.gz DGAVHYFYLXTIEO-YLJYHZDGSA-N 1 3 361.530 2.754 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001216844935 1042142486 /nfs/dbraw/zinc/14/24/86/1042142486.db2.gz PDRIBMWIUVMHCJ-QRQLOZEOSA-N 1 3 363.571 2.992 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC2CC2)C1 ZINC001216851874 1042144394 /nfs/dbraw/zinc/14/43/94/1042144394.db2.gz JVQSEWAYPWWFGX-VQIMIIECSA-N 1 3 359.514 2.505 20 0 FFADHO c1ccc(C2CC[NH2+]CC2)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001216898078 1042159156 /nfs/dbraw/zinc/15/91/56/1042159156.db2.gz NWYVNDIDVBGVDV-UHFFFAOYSA-N 1 3 361.449 2.911 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001263918967 1042531705 /nfs/dbraw/zinc/53/17/05/1042531705.db2.gz AUAFSQMWGIBOQL-GGEWGSQFSA-N 1 3 355.526 2.916 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001264478470 1042688998 /nfs/dbraw/zinc/68/89/98/1042688998.db2.gz CVMHXCGJIMSPFV-HRCADAONSA-N 1 3 363.468 2.935 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001264652064 1042770562 /nfs/dbraw/zinc/77/05/62/1042770562.db2.gz ROAURSHLRCXXSZ-MSOLQXFVSA-N 1 3 365.468 2.856 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001264716809 1042798215 /nfs/dbraw/zinc/79/82/15/1042798215.db2.gz YORSQTWSBMZCEF-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001264716809 1042798221 /nfs/dbraw/zinc/79/82/21/1042798221.db2.gz YORSQTWSBMZCEF-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1OC ZINC001279134233 1042913715 /nfs/dbraw/zinc/91/37/15/1042913715.db2.gz FQEOVMZLQASOSE-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cc1OC ZINC001279134233 1042913717 /nfs/dbraw/zinc/91/37/17/1042913717.db2.gz FQEOVMZLQASOSE-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO Cc1cccc(CN2CCC3(CC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)n1 ZINC001279177806 1042933999 /nfs/dbraw/zinc/93/39/99/1042933999.db2.gz PXQXIVBMFIHVPE-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO Cc1cccc(CN2CCC3(CC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)n1 ZINC001279177806 1042934000 /nfs/dbraw/zinc/93/40/00/1042934000.db2.gz PXQXIVBMFIHVPE-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO Cc1cccc(C[NH+]2CCC3(CCN(Cc4cccc(=O)[nH]4)C3)CC2)n1 ZINC001279177806 1042934002 /nfs/dbraw/zinc/93/40/02/1042934002.db2.gz PXQXIVBMFIHVPE-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccc3scnc3c1)CC2 ZINC001279251068 1042967278 /nfs/dbraw/zinc/96/72/78/1042967278.db2.gz JWPDWWYGKQELSW-UHFFFAOYSA-N 1 3 372.538 2.672 20 0 FFADHO CCn1ccnc1CN1CCCC2(CC[NH+](Cc3nccn3C)CC2)C1 ZINC001279366254 1043030339 /nfs/dbraw/zinc/03/03/39/1043030339.db2.gz GZZKNBAQLULRIS-UHFFFAOYSA-N 1 3 356.518 2.515 20 0 FFADHO CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCCO2)cc1 ZINC001279468323 1043150424 /nfs/dbraw/zinc/15/04/24/1043150424.db2.gz VCCZYFXAZWKMKC-OTYNDTSQSA-N 1 3 357.498 2.909 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1CCC2(CN(CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001279477352 1043161360 /nfs/dbraw/zinc/16/13/60/1043161360.db2.gz MUBDWTNDTHUSPM-IBGZPJMESA-N 1 3 357.542 2.775 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1c[nH]c(Br)c1)CC2 ZINC001279505102 1043198641 /nfs/dbraw/zinc/19/86/41/1043198641.db2.gz SCYZXPDTUJYIQQ-UHFFFAOYSA-N 1 3 369.351 2.627 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1c[nH]c(Br)c1)CC2 ZINC001279505102 1043198646 /nfs/dbraw/zinc/19/86/46/1043198646.db2.gz SCYZXPDTUJYIQQ-UHFFFAOYSA-N 1 3 369.351 2.627 20 0 FFADHO Cc1c2ccccc2sc1CN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001279569796 1043271858 /nfs/dbraw/zinc/27/18/58/1043271858.db2.gz KKFVVGLLMSWTEC-MSOLQXFVSA-N 1 3 359.539 2.656 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1c(F)cccc1OC(F)F)CC2 ZINC001279569123 1043271956 /nfs/dbraw/zinc/27/19/56/1043271956.db2.gz WODPDLNWAMAKFY-UHFFFAOYSA-N 1 3 371.447 2.887 20 0 FFADHO Cc1noc(C)c1CN1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001279571994 1043276454 /nfs/dbraw/zinc/27/64/54/1043276454.db2.gz DKTNNXIDOCCPKF-UHFFFAOYSA-N 1 3 356.470 2.880 20 0 FFADHO Cc1noc(C)c1CN1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001279571994 1043276465 /nfs/dbraw/zinc/27/64/65/1043276465.db2.gz DKTNNXIDOCCPKF-UHFFFAOYSA-N 1 3 356.470 2.880 20 0 FFADHO CCCc1ccc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)s1 ZINC001279584059 1043295457 /nfs/dbraw/zinc/29/54/57/1043295457.db2.gz ZUXVYVMBDJYOSE-CALCHBBNSA-N 1 3 363.571 2.933 20 0 FFADHO CCCc1ccc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)s1 ZINC001279584059 1043295465 /nfs/dbraw/zinc/29/54/65/1043295465.db2.gz ZUXVYVMBDJYOSE-CALCHBBNSA-N 1 3 363.571 2.933 20 0 FFADHO CSc1cc(C)c(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cn1 ZINC001279589985 1043304000 /nfs/dbraw/zinc/30/40/00/1043304000.db2.gz SKDVLPIUTDHJNH-UHFFFAOYSA-N 1 3 371.554 2.906 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1N1CCCC1 ZINC001279604920 1043329210 /nfs/dbraw/zinc/32/92/10/1043329210.db2.gz VGDQJIONAGTTRU-SEJPIABJSA-N 1 3 356.558 2.933 20 0 FFADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CCc3ccccc3F)CC2)C1 ZINC001279623080 1043357679 /nfs/dbraw/zinc/35/76/79/1043357679.db2.gz WLEDYGXUXSPIKZ-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO COc1cc2ccccc2cc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001279649175 1043400251 /nfs/dbraw/zinc/40/02/51/1043400251.db2.gz DFYPRVPSVWQFRU-UHFFFAOYSA-N 1 3 353.510 2.918 20 0 FFADHO c1n[nH]cc1C[NH2+][C@]12CC[C@](NCc3ccc4nonc4c3)(C1)CCC2 ZINC001279693842 1043483554 /nfs/dbraw/zinc/48/35/54/1043483554.db2.gz OFKWJRTUIVUNNZ-RBUKOAKNSA-N 1 3 352.442 2.671 20 0 FFADHO Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1cn(C(C)(C)C)nn1)CC2 ZINC001279717725 1043521034 /nfs/dbraw/zinc/52/10/34/1043521034.db2.gz MEAIJOGCBYFNPK-UHFFFAOYSA-N 1 3 374.558 2.896 20 0 FFADHO Cc1ncc(CNC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CCCC2)s1 ZINC001278240353 1043742467 /nfs/dbraw/zinc/74/24/67/1043742467.db2.gz AAWNSQIZLYVYFV-FSPWUOQZSA-N 1 3 364.559 2.556 20 0 FFADHO Cc1ncc(CNC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CCCC2)s1 ZINC001278240353 1043742469 /nfs/dbraw/zinc/74/24/69/1043742469.db2.gz AAWNSQIZLYVYFV-FSPWUOQZSA-N 1 3 364.559 2.556 20 0 FFADHO O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001279844851 1043762189 /nfs/dbraw/zinc/76/21/89/1043762189.db2.gz VIUCJDZCHPHGRN-ICSRJNTNSA-N 1 3 359.518 2.716 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3coc(-c4ccc(F)cc4)n3)[C@@H]2C1 ZINC001279928132 1043933045 /nfs/dbraw/zinc/93/30/45/1043933045.db2.gz CXEWKEZGCKTCAC-QFBILLFUSA-N 1 3 358.461 2.548 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3coc(-c4ccc(F)cc4)n3)[C@@H]2C1 ZINC001279928132 1043933053 /nfs/dbraw/zinc/93/30/53/1043933053.db2.gz CXEWKEZGCKTCAC-QFBILLFUSA-N 1 3 358.461 2.548 20 0 FFADHO S=C(NCCN1CCCCC1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001239418089 1044116879 /nfs/dbraw/zinc/11/68/79/1044116879.db2.gz FKWWODKRBNPQMX-IBGZPJMESA-N 1 3 352.592 2.593 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001312455125 1044118195 /nfs/dbraw/zinc/11/81/95/1044118195.db2.gz GXRAMTIEBLZNCX-WSTZPKSXSA-N 1 3 360.546 2.927 20 0 FFADHO CS(=O)(=O)c1ccc(-c2ccccc2CN2CCC(C[NH3+])CC2)cc1 ZINC001239702285 1044156129 /nfs/dbraw/zinc/15/61/29/1044156129.db2.gz GSWFCQONJBMORX-UHFFFAOYSA-N 1 3 358.507 2.928 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC001312823314 1044177578 /nfs/dbraw/zinc/17/75/78/1044177578.db2.gz JOSJVKVZJAABQZ-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001312823314 1044177584 /nfs/dbraw/zinc/17/75/84/1044177584.db2.gz JOSJVKVZJAABQZ-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCN(Cc2ccc(-c3ccc(O[C@H]4CC[NH2+]C4)cc3)cc2)CC1 ZINC001240408253 1044334530 /nfs/dbraw/zinc/33/45/30/1044334530.db2.gz GAWUNJKWYAEGHV-QFIPXVFZSA-N 1 3 351.494 2.842 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313865828 1044433045 /nfs/dbraw/zinc/43/30/45/1044433045.db2.gz PGKPNHWKXFSVJH-IRXDYDNUSA-N 1 3 360.550 2.560 20 0 FFADHO Cc1cc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ncc1Cl ZINC001280325441 1044610608 /nfs/dbraw/zinc/61/06/08/1044610608.db2.gz ZWFXZCMELLTIAO-LJQANCHMSA-N 1 3 350.938 2.893 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccccc1OC1CC1 ZINC001316737452 1044869478 /nfs/dbraw/zinc/86/94/78/1044869478.db2.gz MQQMKIZEGRXMLZ-RBUKOAKNSA-N 1 3 359.514 2.649 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(Cc2ccc3c(c2)COC3)C2CC2)CC[N@@H+]1C ZINC001317552044 1045108318 /nfs/dbraw/zinc/10/83/18/1045108318.db2.gz CDRDAVIVEJYCST-LEWJYISDSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(Cc2ccc3c(c2)COC3)C2CC2)CC[N@H+]1C ZINC001317552044 1045108322 /nfs/dbraw/zinc/10/83/22/1045108322.db2.gz CDRDAVIVEJYCST-LEWJYISDSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C[C@H]2CC(C)(C)CO2)C(C)C)CC[N@@H+]1C ZINC001284533412 1046566006 /nfs/dbraw/zinc/56/60/06/1046566006.db2.gz LAXNITKYGSQXRT-CEXWTWQISA-N 1 3 367.578 2.701 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C[C@H]2CC(C)(C)CO2)C(C)C)CC[N@H+]1C ZINC001284533412 1046566018 /nfs/dbraw/zinc/56/60/18/1046566018.db2.gz LAXNITKYGSQXRT-CEXWTWQISA-N 1 3 367.578 2.701 20 0 FFADHO CC(C)(CNC(=O)c1ccc2c(c1)C[NH2+]CC2)N1CCc2ccccc2C1 ZINC001326038038 1046736875 /nfs/dbraw/zinc/73/68/75/1046736875.db2.gz FNJBPLXSZFGZSR-UHFFFAOYSA-N 1 3 363.505 2.899 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)cc2)CC1 ZINC001326279086 1046845535 /nfs/dbraw/zinc/84/55/35/1046845535.db2.gz IMRILQXERVWCAT-KRWDZBQOSA-N 1 3 358.530 2.793 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001327088709 1047184443 /nfs/dbraw/zinc/18/44/43/1047184443.db2.gz AHBNYNYPXFSXOR-KRWDZBQOSA-N 1 3 372.513 2.806 20 0 FFADHO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327091181 1047185809 /nfs/dbraw/zinc/18/58/09/1047185809.db2.gz YYYOQCDSJCMWAM-IAGOWNOFSA-N 1 3 359.514 2.727 20 0 FFADHO N[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC001332077126 1048236354 /nfs/dbraw/zinc/23/63/54/1048236354.db2.gz NDCUIWBIPCEOHC-PMACEKPBSA-N 1 3 356.514 2.817 20 0 FFADHO N[C@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC001332077126 1048236365 /nfs/dbraw/zinc/23/63/65/1048236365.db2.gz NDCUIWBIPCEOHC-PMACEKPBSA-N 1 3 356.514 2.817 20 0 FFADHO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)C(C)C)CC1 ZINC001541555338 1071123019 /nfs/dbraw/zinc/12/30/19/1071123019.db2.gz DWIJXOZTRCHSQI-UHFFFAOYSA-N 1 3 364.582 2.694 20 0 FFADHO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001541555338 1071123022 /nfs/dbraw/zinc/12/30/22/1071123022.db2.gz DWIJXOZTRCHSQI-UHFFFAOYSA-N 1 3 364.582 2.694 20 0 FFADHO CCN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000663847755 1050271849 /nfs/dbraw/zinc/27/18/49/1050271849.db2.gz WKBJPVGHQCAEKL-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000663847755 1050271864 /nfs/dbraw/zinc/27/18/64/1050271864.db2.gz WKBJPVGHQCAEKL-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)c2)CC1 ZINC001341803519 1050416117 /nfs/dbraw/zinc/41/61/17/1050416117.db2.gz XOPLUPGSLVPIQJ-HBMCJLEFSA-N 1 3 357.542 2.727 20 0 FFADHO CCN(C(=O)c1ccn(CCC[NH3+])n1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001340056124 1050464815 /nfs/dbraw/zinc/46/48/15/1050464815.db2.gz HHAOUJHCUBXDBT-IEBWSBKVSA-N 1 3 369.513 2.530 20 0 FFADHO N[C@H](C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1)C1CCCCC1 ZINC001342418629 1051015069 /nfs/dbraw/zinc/01/50/69/1051015069.db2.gz YMLISXCMRSRRIZ-SFHVURJKSA-N 1 3 355.486 2.876 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+])c1ccsc1 ZINC001340808923 1051153949 /nfs/dbraw/zinc/15/39/49/1051153949.db2.gz PYBZNPMKQGXCCW-YOEHRIQHSA-N 1 3 361.515 2.551 20 0 FFADHO Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)o1 ZINC001542339516 1071213039 /nfs/dbraw/zinc/21/30/39/1071213039.db2.gz DHYCMUYZFXCKNT-HNNXBMFYSA-N 1 3 374.533 2.717 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001342640551 1051246669 /nfs/dbraw/zinc/24/66/69/1051246669.db2.gz VWMAOWCYFLMWEX-RSPOEFSDSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@](N)(C(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1)c1ccccc1 ZINC001340999997 1051336068 /nfs/dbraw/zinc/33/60/68/1051336068.db2.gz NBGXVADMGYXSCB-OAQYLSRUSA-N 1 3 363.465 2.843 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001542621574 1071269000 /nfs/dbraw/zinc/26/90/00/1071269000.db2.gz YCZIPJPTKSMKPK-UHFFFAOYSA-N 1 3 371.447 2.937 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306181022 1052055847 /nfs/dbraw/zinc/05/58/47/1052055847.db2.gz VNSILYSFAIALMZ-CTNGQTDRSA-N 1 3 364.493 2.861 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)c1ccccc1F ZINC001542692148 1071282873 /nfs/dbraw/zinc/28/28/73/1071282873.db2.gz WTXBPZBWEUQOJT-HNNXBMFYSA-N 1 3 371.447 2.792 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc21 ZINC001343355224 1052180972 /nfs/dbraw/zinc/18/09/72/1052180972.db2.gz DDZBGLPRHXBZPM-SFHVURJKSA-N 1 3 367.497 2.593 20 0 FFADHO CCC[N@@H+]1CC[C@H](Cn2c(C(C)C)nnc2N2CCN(CC3CC3)CC2)C1 ZINC001307037453 1052242559 /nfs/dbraw/zinc/24/25/59/1052242559.db2.gz VCPKMHOZUVBWMV-IBGZPJMESA-N 1 3 374.577 2.665 20 0 FFADHO CCC[N@H+]1CC[C@H](Cn2c(C(C)C)nnc2N2CCN(CC3CC3)CC2)C1 ZINC001307037453 1052242567 /nfs/dbraw/zinc/24/25/67/1052242567.db2.gz VCPKMHOZUVBWMV-IBGZPJMESA-N 1 3 374.577 2.665 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)c1ccccc1 ZINC001308119062 1052411728 /nfs/dbraw/zinc/41/17/28/1052411728.db2.gz MZKWXZXLQKASJL-UTNFEIGLSA-N 1 3 353.510 2.550 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)c1ccccc1 ZINC001308119062 1052411733 /nfs/dbraw/zinc/41/17/33/1052411733.db2.gz MZKWXZXLQKASJL-UTNFEIGLSA-N 1 3 353.510 2.550 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(C2CC2)cs1 ZINC001345843136 1052638427 /nfs/dbraw/zinc/63/84/27/1052638427.db2.gz APJYCLFLFFKDFK-HNNXBMFYSA-N 1 3 350.532 2.509 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001335359349 1053313528 /nfs/dbraw/zinc/31/35/28/1053313528.db2.gz BBJOAUSCJHIEMX-LPHOPBHVSA-N 1 3 362.543 2.813 20 0 FFADHO CC[C@@H](C)N1CCN(c2nnc(C3CC[NH+](C)CC3)n2CC(C)C)CC1 ZINC001347680357 1054221660 /nfs/dbraw/zinc/22/16/60/1054221660.db2.gz OUQUZZQMIWOXPC-QGZVFWFLSA-N 1 3 362.566 2.664 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCN3C3CCCC3)cc2)CC1 ZINC001543803935 1071548061 /nfs/dbraw/zinc/54/80/61/1071548061.db2.gz XPZUKTHVYNFBFS-NRFANRHFSA-N 1 3 370.541 2.780 20 0 FFADHO C[N@@H+]1CC[C@H](CNC[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC001338450332 1055526498 /nfs/dbraw/zinc/52/64/98/1055526498.db2.gz VLGIWRHRLORBTA-ABAIWWIYSA-N 1 3 361.711 2.851 20 0 FFADHO C[N@H+]1CC[C@H](CNC[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC001338450332 1055526512 /nfs/dbraw/zinc/52/65/12/1055526512.db2.gz VLGIWRHRLORBTA-ABAIWWIYSA-N 1 3 361.711 2.851 20 0 FFADHO O=C(CC[NH2+]CC1CCN(Cc2ccncc2)CC1)Nc1ccccc1 ZINC001356584911 1055595974 /nfs/dbraw/zinc/59/59/74/1055595974.db2.gz PHEVLOLNXNGJBU-UHFFFAOYSA-N 1 3 352.482 2.912 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001338529641 1055596451 /nfs/dbraw/zinc/59/64/51/1055596451.db2.gz ODJHEPXRBOBCIN-RTWAWAEBSA-N 1 3 357.542 2.932 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001338529641 1055596464 /nfs/dbraw/zinc/59/64/64/1055596464.db2.gz ODJHEPXRBOBCIN-RTWAWAEBSA-N 1 3 357.542 2.932 20 0 FFADHO C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCC[C@H](C)C1 ZINC000849059884 1055613958 /nfs/dbraw/zinc/61/39/58/1055613958.db2.gz VCJNBROSNBCBBZ-IRXDYDNUSA-N 1 3 361.509 2.592 20 0 FFADHO C[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCC(C)CC1 ZINC000849067656 1055622775 /nfs/dbraw/zinc/62/27/75/1055622775.db2.gz SUHPKZRFQTYXHA-QGZVFWFLSA-N 1 3 361.509 2.592 20 0 FFADHO CCC(CC)(CCO)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849096890 1055639084 /nfs/dbraw/zinc/63/90/84/1055639084.db2.gz GUEABFHBBOCBMY-UHFFFAOYSA-N 1 3 360.546 2.954 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC[C@@](C)(c4ccccc4)C3=O)C[C@H]2C1 ZINC001352758629 1055770281 /nfs/dbraw/zinc/77/02/81/1055770281.db2.gz AOKAEGHBVWEDFR-DBQGFPOUSA-N 1 3 355.526 2.796 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3c(C)cccc3F)CC2)CC1 ZINC000847529835 1055998419 /nfs/dbraw/zinc/99/84/19/1055998419.db2.gz VGWPYRQIEUDGTQ-UHFFFAOYSA-N 1 3 361.505 2.947 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H](CC)[NH+]1CCCC1 ZINC001498835820 1058183602 /nfs/dbraw/zinc/18/36/02/1058183602.db2.gz RISLJFLQZFJGPX-KSZLIROESA-N 1 3 362.566 2.634 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cncs2)C2CCCC2)CC[N@@H+]1C ZINC001500088064 1058435002 /nfs/dbraw/zinc/43/50/02/1058435002.db2.gz ISDLRYMPEWTCDZ-OKZBNKHCSA-N 1 3 364.559 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cncs2)C2CCCC2)CC[N@H+]1C ZINC001500088064 1058435008 /nfs/dbraw/zinc/43/50/08/1058435008.db2.gz ISDLRYMPEWTCDZ-OKZBNKHCSA-N 1 3 364.559 2.638 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC001447701794 1058691837 /nfs/dbraw/zinc/69/18/37/1058691837.db2.gz HZRARJVKBUTYHH-IBGZPJMESA-N 1 3 361.530 2.707 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC001447701794 1058691840 /nfs/dbraw/zinc/69/18/40/1058691840.db2.gz HZRARJVKBUTYHH-IBGZPJMESA-N 1 3 361.530 2.707 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc(Cl)n1 ZINC001514681107 1059052833 /nfs/dbraw/zinc/05/28/33/1059052833.db2.gz NIJJJLKYLROZPW-QSPRXWTASA-N 1 3 364.921 2.622 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001509420444 1060080303 /nfs/dbraw/zinc/08/03/03/1060080303.db2.gz NCRHHBMOTJIXJC-GOSISDBHSA-N 1 3 374.577 2.665 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CC3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001509420444 1060080326 /nfs/dbraw/zinc/08/03/26/1060080326.db2.gz NCRHHBMOTJIXJC-GOSISDBHSA-N 1 3 374.577 2.665 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001511885539 1060456809 /nfs/dbraw/zinc/45/68/09/1060456809.db2.gz KFDCSMXWHMOFOC-QGZVFWFLSA-N 1 3 362.566 2.772 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)C1 ZINC001521454713 1060598634 /nfs/dbraw/zinc/59/86/34/1060598634.db2.gz MNGPTZMMXBVCHC-ZBFHGGJFSA-N 1 3 369.431 2.870 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)c2cccc3c2OCCNC3)C[N@@H+]1Cc1ccccc1 ZINC001521496538 1060619704 /nfs/dbraw/zinc/61/97/04/1060619704.db2.gz VXHINEFGPZPMJJ-QFBILLFUSA-N 1 3 365.477 2.561 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)c2cccc3c2OCCNC3)C[N@H+]1Cc1ccccc1 ZINC001521496538 1060619712 /nfs/dbraw/zinc/61/97/12/1060619712.db2.gz VXHINEFGPZPMJJ-QFBILLFUSA-N 1 3 365.477 2.561 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC001477430362 1061694165 /nfs/dbraw/zinc/69/41/65/1061694165.db2.gz XUTRHWOTYRYAAD-NRFANRHFSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001479454880 1062423633 /nfs/dbraw/zinc/42/36/33/1062423633.db2.gz SKSOKIFIELZTSJ-FUHWJXTLSA-N 1 3 361.505 2.993 20 0 FFADHO COCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001479475294 1062450573 /nfs/dbraw/zinc/45/05/73/1062450573.db2.gz JIZOMYDZONVJRE-SQGPQFPESA-N 1 3 371.541 2.500 20 0 FFADHO CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001479640444 1062688633 /nfs/dbraw/zinc/68/86/33/1062688633.db2.gz MJKGZFPBOZUKDH-XUVXKRRUSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001479640444 1062688640 /nfs/dbraw/zinc/68/86/40/1062688640.db2.gz MJKGZFPBOZUKDH-XUVXKRRUSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001479640444 1062688651 /nfs/dbraw/zinc/68/86/51/1062688651.db2.gz MJKGZFPBOZUKDH-XUVXKRRUSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001479640444 1062688663 /nfs/dbraw/zinc/68/86/63/1062688663.db2.gz MJKGZFPBOZUKDH-XUVXKRRUSA-N 1 3 365.562 2.789 20 0 FFADHO CC[C@@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCN1CC=CCC1 ZINC001495805884 1063548504 /nfs/dbraw/zinc/54/85/04/1063548504.db2.gz WBUSXVVKUZWVJF-LJQANCHMSA-N 1 3 374.577 2.832 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCC1 ZINC001575089076 1078105588 /nfs/dbraw/zinc/10/55/88/1078105588.db2.gz JGXKLCJKDMBXSO-LAUBAEHRSA-N 1 3 357.498 2.623 20 0 FFADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001575410556 1078138635 /nfs/dbraw/zinc/13/86/35/1078138635.db2.gz SODXBVLOHBDDEG-FUHWJXTLSA-N 1 3 353.457 2.633 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC001472318865 1065012876 /nfs/dbraw/zinc/01/28/76/1065012876.db2.gz YMCSYSSINLHTPM-MHTWAQMVSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC001472318865 1065012895 /nfs/dbraw/zinc/01/28/95/1065012895.db2.gz YMCSYSSINLHTPM-MHTWAQMVSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)c1nnc(N2CCC[C@H](C[NH3+])C2)n1CCN(C)Cc1ccccc1 ZINC001575884125 1078173293 /nfs/dbraw/zinc/17/32/93/1078173293.db2.gz LLHSRIOLBOOAQP-LJQANCHMSA-N 1 3 370.545 2.709 20 0 FFADHO CC(C)[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1 ZINC001575843374 1078170513 /nfs/dbraw/zinc/17/05/13/1078170513.db2.gz WCWRRPCPFPXVMC-GOSISDBHSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H](CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001576005604 1078186334 /nfs/dbraw/zinc/18/63/34/1078186334.db2.gz MZESPJROMOMIGK-NXHRZFHOSA-N 1 3 350.528 2.515 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001474067670 1065449993 /nfs/dbraw/zinc/44/99/93/1065449993.db2.gz CLFZUEGTYYGQGD-PMACEKPBSA-N 1 3 368.481 2.736 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc2c(c1)CCC2 ZINC001474072481 1065451907 /nfs/dbraw/zinc/45/19/07/1065451907.db2.gz SIVZDTKDSCCNLY-QFIPXVFZSA-N 1 3 365.521 2.554 20 0 FFADHO C[C@@H]1C[C@@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1C(=O)OC(C)(C)C ZINC001576598927 1078248081 /nfs/dbraw/zinc/24/80/81/1078248081.db2.gz PXDSPYPCXPDMHA-GJJHYRHESA-N 1 3 351.535 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C[C@H]1[NH3+] ZINC001576729544 1078267318 /nfs/dbraw/zinc/26/73/18/1078267318.db2.gz QMWVTGZHJYONSC-OAGGEKHMSA-N 1 3 350.532 2.510 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2)nnc1N(C)Cc1ccco1 ZINC001577536401 1078375319 /nfs/dbraw/zinc/37/53/19/1078375319.db2.gz WNYUGOGPKMINRH-WMZOPIPTSA-N 1 3 372.517 2.806 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2)nnc1N(C)Cc1ccco1 ZINC001577536401 1078375322 /nfs/dbraw/zinc/37/53/22/1078375322.db2.gz WNYUGOGPKMINRH-WMZOPIPTSA-N 1 3 372.517 2.806 20 0 FFADHO CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2CCCCC2)C[C@@H]1C ZINC001577760664 1078397450 /nfs/dbraw/zinc/39/74/50/1078397450.db2.gz ZXTDJBQCXANDMB-PBWTXFEYSA-N 1 3 374.577 2.982 20 0 FFADHO CN(CC(C)(C)[NH3+])C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001578440941 1078473692 /nfs/dbraw/zinc/47/36/92/1078473692.db2.gz IDGXPKNJHNLGMT-UHFFFAOYSA-N 1 3 354.498 2.744 20 0 FFADHO COc1cc(CN(C)C)ccc1NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001579150966 1078576843 /nfs/dbraw/zinc/57/68/43/1078576843.db2.gz ZAIGLAUIMXESNV-NRFANRHFSA-N 1 3 353.466 2.627 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CNCc2ccccc21)[NH+](C)C ZINC001579788398 1078682553 /nfs/dbraw/zinc/68/25/53/1078682553.db2.gz ONVJCZJUGVKWMS-CZAAIQMYSA-N 1 3 351.494 2.989 20 0 FFADHO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001580251202 1078774941 /nfs/dbraw/zinc/77/49/41/1078774941.db2.gz BSKZQAWZEQJYBS-ZJOUEHCJSA-N 1 3 356.514 2.564 20 0 FFADHO c1ccc(COc2ccc(CN3CCC(OC4C[NH2+]C4)CC3)cc2)nc1 ZINC001580893131 1078888476 /nfs/dbraw/zinc/88/84/76/1078888476.db2.gz UKLPRUHHCWXGFC-UHFFFAOYSA-N 1 3 353.466 2.613 20 0 FFADHO Cc1noc([C@H]2OCC[C@@H]2NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001549608514 1073938176 /nfs/dbraw/zinc/93/81/76/1073938176.db2.gz YLOKYEJFZUAAEI-OALUTQOASA-N 1 3 356.470 2.984 20 0 FFADHO O=C(NC1CC([NH+]2CCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001549934404 1074084825 /nfs/dbraw/zinc/08/48/25/1074084825.db2.gz GQNASBBNRJGTIE-KKXNLOMOSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550283426 1074198257 /nfs/dbraw/zinc/19/82/57/1074198257.db2.gz UXZHCHXFWSRPKQ-QZNYNHHHSA-N 1 3 356.514 2.653 20 0 FFADHO COc1ccc([C@H](C)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(F)c1 ZINC001550352674 1074224738 /nfs/dbraw/zinc/22/47/38/1074224738.db2.gz NYPLACAPVVOCEF-CMBXTBLTSA-N 1 3 350.478 2.965 20 0 FFADHO COc1ccc([C@H](C)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(F)c1 ZINC001550352674 1074224740 /nfs/dbraw/zinc/22/47/40/1074224740.db2.gz NYPLACAPVVOCEF-CMBXTBLTSA-N 1 3 350.478 2.965 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC001550741141 1074454480 /nfs/dbraw/zinc/45/44/80/1074454480.db2.gz RDQSJJXCAGYKSR-RTBURBONSA-N 1 3 372.538 2.755 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC001551566108 1074758776 /nfs/dbraw/zinc/75/87/76/1074758776.db2.gz BNDQVDUTSORYIP-SNCIUUNGSA-N 1 3 370.541 2.872 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC001553428032 1075305805 /nfs/dbraw/zinc/30/58/05/1075305805.db2.gz UCPZKWLIDLOGPR-NJYVYQBISA-N 1 3 370.541 2.607 20 0 FFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001558589412 1076041137 /nfs/dbraw/zinc/04/11/37/1076041137.db2.gz UZAJJTRPAMFLIF-PMACEKPBSA-N 1 3 373.541 2.610 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC001561005568 1076318711 /nfs/dbraw/zinc/31/87/11/1076318711.db2.gz DEBUWDDGGMDCRX-LTCLLZNKSA-N 1 3 354.441 2.621 20 0 FFADHO CCN(C(=O)Nc1cccc(OCC[NH+](CC)CC)c1)[C@H]1CCN(C)C1 ZINC001563381621 1076548881 /nfs/dbraw/zinc/54/88/81/1076548881.db2.gz NTWLFYCMTBHQHO-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001563513128 1076561717 /nfs/dbraw/zinc/56/17/17/1076561717.db2.gz OWFXYNYXXQBLIE-NJDAHSKKSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001563513128 1076561721 /nfs/dbraw/zinc/56/17/21/1076561721.db2.gz OWFXYNYXXQBLIE-NJDAHSKKSA-N 1 3 370.541 2.967 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CCCN(C)C2)[NH+]2CCCC2)cc1 ZINC001563830193 1076586435 /nfs/dbraw/zinc/58/64/35/1076586435.db2.gz DMEUMIFTRDNCCB-PMACEKPBSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1F ZINC001565898224 1076787842 /nfs/dbraw/zinc/78/78/42/1076787842.db2.gz QAAOOQOMMXNLHU-FUHWJXTLSA-N 1 3 361.505 2.993 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1)[NH+](CC)CC ZINC001565973342 1076821247 /nfs/dbraw/zinc/82/12/47/1076821247.db2.gz XWYUHUNOONNSEH-HOJAQTOUSA-N 1 3 360.546 2.919 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CCOC(C)C ZINC001566028921 1076865555 /nfs/dbraw/zinc/86/55/55/1076865555.db2.gz KKFZZBXQJDKVEQ-VQTJNVASSA-N 1 3 361.530 2.756 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CCOC(C)C ZINC001566028921 1076865560 /nfs/dbraw/zinc/86/55/60/1076865560.db2.gz KKFZZBXQJDKVEQ-VQTJNVASSA-N 1 3 361.530 2.756 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001566048599 1076877383 /nfs/dbraw/zinc/87/73/83/1076877383.db2.gz UQYWKBUEVLXFOE-MSOLQXFVSA-N 1 3 363.933 2.962 20 0 FFADHO CC[N@H+](CCNC(=O)[C@H]1CCCN1C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001567342008 1077018208 /nfs/dbraw/zinc/01/82/08/1077018208.db2.gz VJYUWBABOUWAMC-KSZLIROESA-N 1 3 365.468 2.568 20 0 FFADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN1C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001567342008 1077018212 /nfs/dbraw/zinc/01/82/12/1077018212.db2.gz VJYUWBABOUWAMC-KSZLIROESA-N 1 3 365.468 2.568 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(Cc3cc(C)ns3)C2)CC[N@@H+]1C ZINC001567699326 1077045850 /nfs/dbraw/zinc/04/58/50/1077045850.db2.gz JGWQQRXOQIXZFU-BPQIPLTHSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(Cc3cc(C)ns3)C2)CC[N@H+]1C ZINC001567699326 1077045854 /nfs/dbraw/zinc/04/58/54/1077045854.db2.gz JGWQQRXOQIXZFU-BPQIPLTHSA-N 1 3 364.559 2.510 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423149037 514059953 /nfs/dbraw/zinc/05/99/53/514059953.db2.gz ADZPISQEAJGCCP-KEYYUXOJSA-N 1 3 373.310 2.846 20 0 FFADHO COc1ccccc1[C@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103077377 250134659 /nfs/dbraw/zinc/13/46/59/250134659.db2.gz MFXUZVGUGFOUOG-QGZVFWFLSA-N 1 3 373.541 2.864 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000105083568 250197430 /nfs/dbraw/zinc/19/74/30/250197430.db2.gz XTDUWQUHWMRUFX-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000105112533 250199532 /nfs/dbraw/zinc/19/95/32/250199532.db2.gz UNRLTSABBKYTOL-HXUWFJFHSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1c([C@H](C)NC2CCN(CC[NH+](C)C)CC2)nnn1-c1ccc(C)cc1 ZINC000268740833 251371340 /nfs/dbraw/zinc/37/13/40/251371340.db2.gz DADCBQFPALGPKN-KRWDZBQOSA-N 1 3 370.545 2.561 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000267371082 251336301 /nfs/dbraw/zinc/33/63/01/251336301.db2.gz KDXPNGKLUXGRRV-FYZZASKESA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000267371082 251336305 /nfs/dbraw/zinc/33/63/05/251336305.db2.gz KDXPNGKLUXGRRV-FYZZASKESA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000272317381 252008235 /nfs/dbraw/zinc/00/82/35/252008235.db2.gz HNHHLEBQYHSCJM-QXAKKESOSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272420076 252035354 /nfs/dbraw/zinc/03/53/54/252035354.db2.gz BHNBJDBTBGQPGE-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272420076 252035357 /nfs/dbraw/zinc/03/53/57/252035357.db2.gz BHNBJDBTBGQPGE-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)[C@H]2C1 ZINC000272516821 252058349 /nfs/dbraw/zinc/05/83/49/252058349.db2.gz YKAKEIIULQWRFO-PMACEKPBSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272944168 252170825 /nfs/dbraw/zinc/17/08/25/252170825.db2.gz MHFCQYFLFFLSGR-GOSISDBHSA-N 1 3 356.514 2.554 20 0 FFADHO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000272875210 252153933 /nfs/dbraw/zinc/15/39/33/252153933.db2.gz XEXPNCYVZQYTEB-GOSISDBHSA-N 1 3 370.541 2.643 20 0 FFADHO NC(=O)[C@H](Cc1ccc(F)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000272972354 252179786 /nfs/dbraw/zinc/17/97/86/252179786.db2.gz HSBDGZKMDOPHDM-NRFANRHFSA-N 1 3 369.484 2.724 20 0 FFADHO COc1ccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000273162567 252236157 /nfs/dbraw/zinc/23/61/57/252236157.db2.gz BVDHWKGHEBYYNN-FQEVSTJZSA-N 1 3 359.514 2.680 20 0 FFADHO C[C@@H](NCc1ccccc1C[NH2+][C@H](C)c1cnn(C)c1)c1cnn(C)c1 ZINC000273382498 252295368 /nfs/dbraw/zinc/29/53/68/252295368.db2.gz MWXXSAXADQZBDN-HZPDHXFCSA-N 1 3 352.486 2.855 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000273539221 252326278 /nfs/dbraw/zinc/32/62/78/252326278.db2.gz SUWAYOWOWVVBRQ-NSISKUIASA-N 1 3 358.530 2.804 20 0 FFADHO [NH3+]Cc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000273992054 255819868 /nfs/dbraw/zinc/81/98/68/255819868.db2.gz XLKRIEHDWAWGMX-UHFFFAOYSA-N 1 3 371.456 2.558 20 0 FFADHO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278048029 256270592 /nfs/dbraw/zinc/27/05/92/256270592.db2.gz KBXBVTVLTGDOEF-QGZVFWFLSA-N 1 3 369.431 2.566 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278531322 256323057 /nfs/dbraw/zinc/32/30/57/256323057.db2.gz FBWMWNYFWAAGMC-VXKWHMMOSA-N 1 3 359.558 2.941 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278531322 256323059 /nfs/dbraw/zinc/32/30/59/256323059.db2.gz FBWMWNYFWAAGMC-VXKWHMMOSA-N 1 3 359.558 2.941 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278580075 256327169 /nfs/dbraw/zinc/32/71/69/256327169.db2.gz DBQQOJFQRYWWSB-UHFFFAOYSA-N 1 3 364.559 2.696 20 0 FFADHO COc1cc(C)cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000278980149 256368829 /nfs/dbraw/zinc/36/88/29/256368829.db2.gz RAYRUBGDRFDDJH-UHFFFAOYSA-N 1 3 374.529 2.992 20 0 FFADHO Cc1cc([C@@H](C)NCCCC[NH+]2CCN(c3ccccc3)CC2)nn1C ZINC000282021462 256685106 /nfs/dbraw/zinc/68/51/06/256685106.db2.gz DYXADHFXSFNPJA-LJQANCHMSA-N 1 3 355.530 2.982 20 0 FFADHO c1ccc(N2CCN(CCCN3CCC[C@H]3C[NH+]3CCCC3)CC2)cc1 ZINC000286025832 257016581 /nfs/dbraw/zinc/01/65/81/257016581.db2.gz PNPIHGMHRJPDCM-QFIPXVFZSA-N 1 3 356.558 2.759 20 0 FFADHO c1ccc(N2CCN(CCC[N@@H+]3CCC[C@H]3CN3CCCC3)CC2)cc1 ZINC000286025832 257016582 /nfs/dbraw/zinc/01/65/82/257016582.db2.gz PNPIHGMHRJPDCM-QFIPXVFZSA-N 1 3 356.558 2.759 20 0 FFADHO c1ccc(N2CCN(CCC[N@H+]3CCC[C@H]3CN3CCCC3)CC2)cc1 ZINC000286025832 257016583 /nfs/dbraw/zinc/01/65/83/257016583.db2.gz PNPIHGMHRJPDCM-QFIPXVFZSA-N 1 3 356.558 2.759 20 0 FFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000286647602 257047513 /nfs/dbraw/zinc/04/75/13/257047513.db2.gz BNSPFZUATUETER-GHTZIAJQSA-N 1 3 355.526 2.984 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287689991 257102544 /nfs/dbraw/zinc/10/25/44/257102544.db2.gz NDSFXIJMXTXIAG-RDJZCZTQSA-N 1 3 360.420 2.869 20 0 FFADHO C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000288322177 257175264 /nfs/dbraw/zinc/17/52/64/257175264.db2.gz FNNFPOWHJRUIIN-OXJNMPFZSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000287972565 257134988 /nfs/dbraw/zinc/13/49/88/257134988.db2.gz JENSMUQZGBYJCS-CTLHLVSWSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000287972565 257134989 /nfs/dbraw/zinc/13/49/89/257134989.db2.gz JENSMUQZGBYJCS-CTLHLVSWSA-N 1 3 370.541 2.916 20 0 FFADHO Cc1cc(F)ccc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000289756532 257297251 /nfs/dbraw/zinc/29/72/51/257297251.db2.gz JNCWVUFUDZUAMU-UHFFFAOYSA-N 1 3 361.505 2.948 20 0 FFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289765810 257297930 /nfs/dbraw/zinc/29/79/30/257297930.db2.gz RCYYCJHPWMRGML-RBUKOAKNSA-N 1 3 356.466 2.814 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289787127 257299396 /nfs/dbraw/zinc/29/93/96/257299396.db2.gz LQHBMFCJGUIYCI-NEWSRXKRSA-N 1 3 358.482 2.775 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289787127 257299397 /nfs/dbraw/zinc/29/93/97/257299397.db2.gz LQHBMFCJGUIYCI-NEWSRXKRSA-N 1 3 358.482 2.775 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccnn1CCN(C)C ZINC000297492166 257837636 /nfs/dbraw/zinc/83/76/36/257837636.db2.gz STWXAJZIDLAGJY-UHFFFAOYSA-N 1 3 372.517 2.608 20 0 FFADHO Cc1ccc(N2CC[C@@H](NC3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000298589803 257926171 /nfs/dbraw/zinc/92/61/71/257926171.db2.gz YKCPOABGRFGNTF-HXUWFJFHSA-N 1 3 350.466 2.754 20 0 FFADHO C[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CN1CCCC1 ZINC000387307169 512892973 /nfs/dbraw/zinc/89/29/73/512892973.db2.gz OPIASEMMSKUEKK-ZBFHGGJFSA-N 1 3 371.319 2.510 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368941519 512146684 /nfs/dbraw/zinc/14/66/84/512146684.db2.gz JKXPNDSMFVOZGZ-UXHICEINSA-N 1 3 358.530 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368941519 512146685 /nfs/dbraw/zinc/14/66/85/512146685.db2.gz JKXPNDSMFVOZGZ-UXHICEINSA-N 1 3 358.530 2.907 20 0 FFADHO [NH3+]C[C@@H]1CN(CCCOc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000410090685 512200192 /nfs/dbraw/zinc/20/01/92/512200192.db2.gz PBWMFQLBCKVPCF-MJGOQNOKSA-N 1 3 354.450 2.859 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000410327360 512240212 /nfs/dbraw/zinc/24/02/12/512240212.db2.gz JRBXCICLUOMCRQ-SFTDATJTSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000410327360 512240215 /nfs/dbraw/zinc/24/02/15/512240215.db2.gz JRBXCICLUOMCRQ-SFTDATJTSA-N 1 3 370.541 2.885 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377455408 512276524 /nfs/dbraw/zinc/27/65/24/512276524.db2.gz LAFKRWIBHJDTQW-ACRUOGEOSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377455408 512276530 /nfs/dbraw/zinc/27/65/30/512276530.db2.gz LAFKRWIBHJDTQW-ACRUOGEOSA-N 1 3 370.541 2.825 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000067686723 506976721 /nfs/dbraw/zinc/97/67/21/506976721.db2.gz PCDPRAHIKNKUKF-IRXDYDNUSA-N 1 3 364.559 2.915 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000067686723 506976727 /nfs/dbraw/zinc/97/67/27/506976727.db2.gz PCDPRAHIKNKUKF-IRXDYDNUSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000068084951 507105442 /nfs/dbraw/zinc/10/54/42/507105442.db2.gz GULDFFCEGBHOKW-SFHVURJKSA-N 1 3 361.530 2.869 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000068084951 507105455 /nfs/dbraw/zinc/10/54/55/507105455.db2.gz GULDFFCEGBHOKW-SFHVURJKSA-N 1 3 361.530 2.869 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000050803121 507716052 /nfs/dbraw/zinc/71/60/52/507716052.db2.gz QSXZKKKUGRHQMM-UHFFFAOYSA-N 1 3 369.553 2.783 20 0 FFADHO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(OCCN(C)C)cc1 ZINC000089545964 507846431 /nfs/dbraw/zinc/84/64/31/507846431.db2.gz UZKHQVVCSVBOCR-INIZCTEOSA-N 1 3 355.482 2.619 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000072907670 507872689 /nfs/dbraw/zinc/87/26/89/507872689.db2.gz IMVQWZQMPLSOKO-UHFFFAOYSA-N 1 3 357.542 2.930 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000073012150 507884411 /nfs/dbraw/zinc/88/44/11/507884411.db2.gz GCLXTPFEHWVKFN-SFHVURJKSA-N 1 3 353.551 2.648 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000111420795 508097491 /nfs/dbraw/zinc/09/74/91/508097491.db2.gz BFFNPEJVADFCKT-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000111420795 508097493 /nfs/dbraw/zinc/09/74/93/508097493.db2.gz BFFNPEJVADFCKT-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3cnn(C)c3)CC2)CC1 ZINC000092808911 508102417 /nfs/dbraw/zinc/10/24/17/508102417.db2.gz QCWWZRKTYXFMJH-UHFFFAOYSA-N 1 3 367.541 2.942 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111563420 508108102 /nfs/dbraw/zinc/10/81/02/508108102.db2.gz BCEZONARWQAAET-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000112740497 508218138 /nfs/dbraw/zinc/21/81/38/508218138.db2.gz ZTNKWMLJKQMEJT-INIZCTEOSA-N 1 3 350.532 2.622 20 0 FFADHO COC[C@H]1CCCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000112985634 508237883 /nfs/dbraw/zinc/23/78/83/508237883.db2.gz RPOVYUZKEVXGOF-ICSRJNTNSA-N 1 3 373.541 2.514 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000101518515 508242187 /nfs/dbraw/zinc/24/21/87/508242187.db2.gz WKLCXQLFMYOXGM-GOSISDBHSA-N 1 3 370.541 2.893 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000101518515 508242189 /nfs/dbraw/zinc/24/21/89/508242189.db2.gz WKLCXQLFMYOXGM-GOSISDBHSA-N 1 3 370.541 2.893 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1)C(C)C ZINC000101641471 508252040 /nfs/dbraw/zinc/25/20/40/508252040.db2.gz RXTZRPUWFKTPKJ-UHFFFAOYSA-N 1 3 374.573 2.674 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1)C(C)C ZINC000101641471 508252041 /nfs/dbraw/zinc/25/20/41/508252041.db2.gz RXTZRPUWFKTPKJ-UHFFFAOYSA-N 1 3 374.573 2.674 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000103236753 508303153 /nfs/dbraw/zinc/30/31/53/508303153.db2.gz VQMOYZVACBJDLA-HXUWFJFHSA-N 1 3 360.546 2.800 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000103236753 508303157 /nfs/dbraw/zinc/30/31/57/508303157.db2.gz VQMOYZVACBJDLA-HXUWFJFHSA-N 1 3 360.546 2.800 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103305514 508305862 /nfs/dbraw/zinc/30/58/62/508305862.db2.gz MOLDQARROZRDSW-TZIWHRDSSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103305514 508305865 /nfs/dbraw/zinc/30/58/65/508305865.db2.gz MOLDQARROZRDSW-TZIWHRDSSA-N 1 3 372.557 2.725 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000103450246 508312754 /nfs/dbraw/zinc/31/27/54/508312754.db2.gz UASBHMXDPYJZSA-IBGZPJMESA-N 1 3 361.505 2.838 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000104279749 508331257 /nfs/dbraw/zinc/33/12/57/508331257.db2.gz ALZHYORMQFOHBZ-NRFANRHFSA-N 1 3 372.557 2.579 20 0 FFADHO CC1CCN(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000077715697 508357573 /nfs/dbraw/zinc/35/75/73/508357573.db2.gz BTMOHIMSCYBTEX-UHFFFAOYSA-N 1 3 358.530 2.814 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000105068685 508358752 /nfs/dbraw/zinc/35/87/52/508358752.db2.gz QNRSPHCYMXMRFK-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000105068685 508358754 /nfs/dbraw/zinc/35/87/54/508358754.db2.gz QNRSPHCYMXMRFK-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CC1(C)CC(NC(=O)N2CCC[C@H]2CN2CCCCC2)CC(C)(C)[NH2+]1 ZINC000105070744 508359424 /nfs/dbraw/zinc/35/94/24/508359424.db2.gz ZEADYJVXRFSMIH-KRWDZBQOSA-N 1 3 350.551 2.956 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000105112541 508361488 /nfs/dbraw/zinc/36/14/88/508361488.db2.gz ATAJXQJSTCYNHU-KRWDZBQOSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105112541 508361492 /nfs/dbraw/zinc/36/14/92/508361492.db2.gz ATAJXQJSTCYNHU-KRWDZBQOSA-N 1 3 358.530 2.741 20 0 FFADHO CC1CCN(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000077789659 508374809 /nfs/dbraw/zinc/37/48/09/508374809.db2.gz NMJOJZSWFCBOTI-UHFFFAOYSA-N 1 3 358.530 2.814 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCOC[C@@H]2CCCO2)CC1 ZINC000088725063 508381722 /nfs/dbraw/zinc/38/17/22/508381722.db2.gz GGBHLPDHSSPFKC-FQEVSTJZSA-N 1 3 361.530 2.504 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530581 508401750 /nfs/dbraw/zinc/40/17/50/508401750.db2.gz GPRYIPOGKKGBKS-HXUWFJFHSA-N 1 3 370.541 2.751 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530581 508401751 /nfs/dbraw/zinc/40/17/51/508401751.db2.gz GPRYIPOGKKGBKS-HXUWFJFHSA-N 1 3 370.541 2.751 20 0 FFADHO CN1CCC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000127343238 508435350 /nfs/dbraw/zinc/43/53/50/508435350.db2.gz BBCVXLZCMYNVIK-UHFFFAOYSA-N 1 3 360.502 2.767 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCCC3CC[NH+](C)CC3)CC2)CC1 ZINC000115820691 508441979 /nfs/dbraw/zinc/44/19/79/508441979.db2.gz KKWMEPCOEBUHRP-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000127489035 508457670 /nfs/dbraw/zinc/45/76/70/508457670.db2.gz FJSLBZRWWKEZOA-INIZCTEOSA-N 1 3 356.514 2.878 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000127715053 508489694 /nfs/dbraw/zinc/48/96/94/508489694.db2.gz PZJFPZQAFHDETE-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000127715053 508489699 /nfs/dbraw/zinc/48/96/99/508489699.db2.gz PZJFPZQAFHDETE-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO COc1ccc(F)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000122175258 508494138 /nfs/dbraw/zinc/49/41/38/508494138.db2.gz RUPAJEXLPKHCTR-UHFFFAOYSA-N 1 3 364.465 2.514 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000116546263 508528482 /nfs/dbraw/zinc/52/84/82/508528482.db2.gz IFUPRMWNZJWAJC-QGZVFWFLSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000116561062 508529978 /nfs/dbraw/zinc/52/99/78/508529978.db2.gz GDWIMEGOVFGLKJ-UTKZUKDTSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000116561062 508529982 /nfs/dbraw/zinc/52/99/82/508529982.db2.gz GDWIMEGOVFGLKJ-UTKZUKDTSA-N 1 3 370.541 2.996 20 0 FFADHO COc1cc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)ccc1SC ZINC000128138627 508552717 /nfs/dbraw/zinc/55/27/17/508552717.db2.gz NSXZDZSSVATOJW-ZBFHGGJFSA-N 1 3 365.543 2.655 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000118780831 508672321 /nfs/dbraw/zinc/67/23/21/508672321.db2.gz UMTYTTBJMWUPFG-UHFFFAOYSA-N 1 3 372.557 2.823 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCCCCC2)[C@H](C)C1 ZINC000129060886 508676971 /nfs/dbraw/zinc/67/69/71/508676971.db2.gz DNLQYZHRKQUYST-RTBURBONSA-N 1 3 353.551 2.506 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCCCCC2)[C@H](C)C1 ZINC000129060886 508676976 /nfs/dbraw/zinc/67/69/76/508676976.db2.gz DNLQYZHRKQUYST-RTBURBONSA-N 1 3 353.551 2.506 20 0 FFADHO C[C@@H]1CN(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000375595723 512412652 /nfs/dbraw/zinc/41/26/52/512412652.db2.gz FUBBAMFZKKNTHX-HXUWFJFHSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CN(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000375595723 512412654 /nfs/dbraw/zinc/41/26/54/512412654.db2.gz FUBBAMFZKKNTHX-HXUWFJFHSA-N 1 3 357.542 2.695 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000129455651 508729067 /nfs/dbraw/zinc/72/90/67/508729067.db2.gz AKRYPVCKJBVAEQ-SFHVURJKSA-N 1 3 358.530 2.553 20 0 FFADHO C[C@@H](CCn1cccn1)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000158706373 508742338 /nfs/dbraw/zinc/74/23/38/508742338.db2.gz VXVLMLKMQIPLHA-FQEVSTJZSA-N 1 3 355.530 2.854 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000130030466 508788805 /nfs/dbraw/zinc/78/88/05/508788805.db2.gz HGTUNOTZSIEJKT-ROUUACIJSA-N 1 3 358.530 2.805 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000154526610 508802676 /nfs/dbraw/zinc/80/26/76/508802676.db2.gz OADYSLJUUDMXAH-OAQYLSRUSA-N 1 3 373.541 2.786 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000154526610 508802680 /nfs/dbraw/zinc/80/26/80/508802680.db2.gz OADYSLJUUDMXAH-OAQYLSRUSA-N 1 3 373.541 2.786 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000154531732 508803495 /nfs/dbraw/zinc/80/34/95/508803495.db2.gz HUEPYDXLOWUVJU-LJQANCHMSA-N 1 3 372.557 2.882 20 0 FFADHO Cc1cccc([C@@H](C)CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000154836627 508866226 /nfs/dbraw/zinc/86/62/26/508866226.db2.gz BDKKOELLLRFXLD-SFHVURJKSA-N 1 3 372.557 2.956 20 0 FFADHO CC[C@@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000124908935 508903763 /nfs/dbraw/zinc/90/37/63/508903763.db2.gz XPPWJHPBLBMZRV-FQEVSTJZSA-N 1 3 361.530 2.514 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000155525480 509019495 /nfs/dbraw/zinc/01/94/95/509019495.db2.gz CAFMUKZUCBOPAX-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC000155551051 509024566 /nfs/dbraw/zinc/02/45/66/509024566.db2.gz DXHBQAHKVIGSPE-FQEVSTJZSA-N 1 3 372.557 2.567 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC000155551051 509024568 /nfs/dbraw/zinc/02/45/68/509024568.db2.gz DXHBQAHKVIGSPE-FQEVSTJZSA-N 1 3 372.557 2.567 20 0 FFADHO Cn1ncc2c1CCC[C@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132825387 509079688 /nfs/dbraw/zinc/07/96/88/509079688.db2.gz ZHNBTVNATZPCFM-HXUWFJFHSA-N 1 3 354.498 2.544 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000156269946 509153237 /nfs/dbraw/zinc/15/32/37/509153237.db2.gz SXLVHOFPLVTHAW-LVCYWYKZSA-N 1 3 357.542 2.786 20 0 FFADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000182585637 509316398 /nfs/dbraw/zinc/31/63/98/509316398.db2.gz GCLASKWADHWDDW-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO C[C@@H](NC[C@H](O)COc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755905 509341387 /nfs/dbraw/zinc/34/13/87/509341387.db2.gz VRACUBCARYHZJX-GJYPPUQNSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H](NC[C@H](O)COc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755905 509341391 /nfs/dbraw/zinc/34/13/91/509341391.db2.gz VRACUBCARYHZJX-GJYPPUQNSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185755905 509341396 /nfs/dbraw/zinc/34/13/96/509341396.db2.gz VRACUBCARYHZJX-GJYPPUQNSA-N 1 3 350.478 2.808 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179260185 509343982 /nfs/dbraw/zinc/34/39/82/509343982.db2.gz ICEJWUOLFGUUOF-VQTJNVASSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267259099 509415075 /nfs/dbraw/zinc/41/50/75/509415075.db2.gz CLHVHSVVAUFRAS-HXUWFJFHSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248752252 509469557 /nfs/dbraw/zinc/46/95/57/509469557.db2.gz GSPRQRXGXVELRQ-RCLSDMTESA-N 1 3 373.541 2.655 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000248752252 509469565 /nfs/dbraw/zinc/46/95/65/509469565.db2.gz GSPRQRXGXVELRQ-RCLSDMTESA-N 1 3 373.541 2.655 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236666670 509473907 /nfs/dbraw/zinc/47/39/07/509473907.db2.gz GDDQBYHUZAACNT-YADHBBJMSA-N 1 3 365.521 2.756 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236666670 509473911 /nfs/dbraw/zinc/47/39/11/509473911.db2.gz GDDQBYHUZAACNT-YADHBBJMSA-N 1 3 365.521 2.756 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CC1CC[NH2+]CC1 ZINC000236673820 509478417 /nfs/dbraw/zinc/47/84/17/509478417.db2.gz WEEMJFRXUWZSND-FQEVSTJZSA-N 1 3 357.542 2.965 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000236834790 509515163 /nfs/dbraw/zinc/51/51/63/509515163.db2.gz NORIZMLLJGESNS-MOPGFXCFSA-N 1 3 359.514 2.584 20 0 FFADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000182958798 509516717 /nfs/dbraw/zinc/51/67/17/509516717.db2.gz SAYLDDOHLSGDCM-MRXNPFEDSA-N 1 3 366.937 2.545 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236922912 509534320 /nfs/dbraw/zinc/53/43/20/509534320.db2.gz OFUPYEXSQBMQNO-HNAYVOBHSA-N 1 3 355.486 2.815 20 0 FFADHO CN(CC1CCN(C)CC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176491430 509542538 /nfs/dbraw/zinc/54/25/38/509542538.db2.gz MXOSHSXLOSREDA-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CC[NH+]1CCC(CNCc2c(F)cccc2Br)CC1 ZINC000192550622 509551136 /nfs/dbraw/zinc/55/11/36/509551136.db2.gz XQLBUSDYYQDEFJ-UHFFFAOYSA-N 1 3 372.326 2.951 20 0 FFADHO CN1[C@@H]2CC[C@H]1CC([NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1)C2 ZINC000248990240 509566232 /nfs/dbraw/zinc/56/62/32/509566232.db2.gz NFNKUCACAWCIEB-KBRMVUAJSA-N 1 3 356.558 2.580 20 0 FFADHO CN(CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1)Cc1ccccc1 ZINC000165932651 509587970 /nfs/dbraw/zinc/58/79/70/509587970.db2.gz ZCABXEHDJIQHMO-UHFFFAOYSA-N 1 3 351.494 2.556 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186274390 509616593 /nfs/dbraw/zinc/61/65/93/509616593.db2.gz UUPPTGKRFWQJKG-FPOVZHCZSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186274390 509616595 /nfs/dbraw/zinc/61/65/95/509616595.db2.gz UUPPTGKRFWQJKG-FPOVZHCZSA-N 1 3 372.557 2.880 20 0 FFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237321718 509621555 /nfs/dbraw/zinc/62/15/55/509621555.db2.gz IKKRJBWNIMXEFU-FCEWJHQRSA-N 1 3 363.571 2.861 20 0 FFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237321718 509621559 /nfs/dbraw/zinc/62/15/59/509621559.db2.gz IKKRJBWNIMXEFU-FCEWJHQRSA-N 1 3 363.571 2.861 20 0 FFADHO C[C@@H](NC1(CNC(=O)CCC2CC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000237401014 509639171 /nfs/dbraw/zinc/63/91/71/509639171.db2.gz VIBNUODRQTYIDD-GOSISDBHSA-N 1 3 373.541 2.782 20 0 FFADHO COc1cccc([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)c1 ZINC000237534195 509672906 /nfs/dbraw/zinc/67/29/06/509672906.db2.gz SICJAZSIAGWONI-ZJVRTDGDSA-N 1 3 371.525 2.869 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237588706 509684819 /nfs/dbraw/zinc/68/48/19/509684819.db2.gz UKVPUQAWVJNIBT-UIFIKXQLSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237588706 509684826 /nfs/dbraw/zinc/68/48/26/509684826.db2.gz UKVPUQAWVJNIBT-UIFIKXQLSA-N 1 3 351.494 2.726 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[NH+]2CCCCC2)c(OC)c1 ZINC000170670093 509710279 /nfs/dbraw/zinc/71/02/79/509710279.db2.gz VAKHNJIBHDWIHT-MRXNPFEDSA-N 1 3 363.502 2.887 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H]3CCCN3C)cc2)C1 ZINC000249732079 509745714 /nfs/dbraw/zinc/74/57/14/509745714.db2.gz BAJARLXHERYWEF-FXAWDEMLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H]3CCCN3C)cc2)C1 ZINC000249732079 509745720 /nfs/dbraw/zinc/74/57/20/509745720.db2.gz BAJARLXHERYWEF-FXAWDEMLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000268140016 509776181 /nfs/dbraw/zinc/77/61/81/509776181.db2.gz QTAMOPNBAISQKP-UZLBHIALSA-N 1 3 356.514 2.564 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCN1C ZINC000249944555 509781523 /nfs/dbraw/zinc/78/15/23/509781523.db2.gz XWIGQWRLZXLLID-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCN1C ZINC000249944555 509781529 /nfs/dbraw/zinc/78/15/29/509781529.db2.gz XWIGQWRLZXLLID-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000249995339 509783699 /nfs/dbraw/zinc/78/36/99/509783699.db2.gz OAAHWECCIMFANY-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000249995339 509783710 /nfs/dbraw/zinc/78/37/10/509783710.db2.gz OAAHWECCIMFANY-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000252152154 509834292 /nfs/dbraw/zinc/83/42/92/509834292.db2.gz MQTBNQKULJYQSY-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000252152154 509834293 /nfs/dbraw/zinc/83/42/93/509834293.db2.gz MQTBNQKULJYQSY-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000173899319 509841485 /nfs/dbraw/zinc/84/14/85/509841485.db2.gz AMKDZTLDBSOSID-IRXDYDNUSA-N 1 3 366.575 2.737 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000173899319 509841495 /nfs/dbraw/zinc/84/14/95/509841495.db2.gz AMKDZTLDBSOSID-IRXDYDNUSA-N 1 3 366.575 2.737 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193311793 509862141 /nfs/dbraw/zinc/86/21/41/509862141.db2.gz LZWZHRXUHGNGSN-JOCHJYFZSA-N 1 3 366.505 2.911 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000171037194 509902634 /nfs/dbraw/zinc/90/26/34/509902634.db2.gz LXDDUBHUUDFNNA-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245401274 509905326 /nfs/dbraw/zinc/90/53/26/509905326.db2.gz ZQDZSMKTJXNCJR-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCC[C@H](C)C1 ZINC000193487109 509935317 /nfs/dbraw/zinc/93/53/17/509935317.db2.gz CGOBTROBRZAWBF-ROUUACIJSA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000174128803 509960907 /nfs/dbraw/zinc/96/09/07/509960907.db2.gz FUQASQUJMGORKD-OAQYLSRUSA-N 1 3 372.557 2.532 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000174153669 509972184 /nfs/dbraw/zinc/97/21/84/509972184.db2.gz BBNDGDAITHYBRS-UYAOXDASSA-N 1 3 361.505 2.980 20 0 FFADHO CC1CCC(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000171175531 509988103 /nfs/dbraw/zinc/98/81/03/509988103.db2.gz NOTXJLPHSNOSIX-UHFFFAOYSA-N 1 3 350.551 2.671 20 0 FFADHO COc1cccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000177353593 510008715 /nfs/dbraw/zinc/00/87/15/510008715.db2.gz GAWAHFLXFMQXMW-MRXNPFEDSA-N 1 3 355.482 2.837 20 0 FFADHO CC[N@@H+]1CC[C@@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@@H](C)C1 ZINC000245652685 510063713 /nfs/dbraw/zinc/06/37/13/510063713.db2.gz BRQQHZCMJNSVPD-OXJNMPFZSA-N 1 3 358.530 2.526 20 0 FFADHO CC[N@H+]1CC[C@@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@@H](C)C1 ZINC000245652685 510063723 /nfs/dbraw/zinc/06/37/23/510063723.db2.gz BRQQHZCMJNSVPD-OXJNMPFZSA-N 1 3 358.530 2.526 20 0 FFADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CCS(=O)(=O)CC1 ZINC000187121267 510070346 /nfs/dbraw/zinc/07/03/46/510070346.db2.gz DYGZHTKWSYXTLP-HNNXBMFYSA-N 1 3 370.584 2.763 20 0 FFADHO C[N@H+](Cc1ccccc1CNC(=O)[C@H](N)C1CCOCC1)C1CCCCC1 ZINC000261801104 510070421 /nfs/dbraw/zinc/07/04/21/510070421.db2.gz OCCGOCKSGAQTFN-OAQYLSRUSA-N 1 3 373.541 2.821 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@H](N)C1CCOCC1)C1CCCCC1 ZINC000261801104 510070431 /nfs/dbraw/zinc/07/04/31/510070431.db2.gz OCCGOCKSGAQTFN-OAQYLSRUSA-N 1 3 373.541 2.821 20 0 FFADHO COc1ccc(NC(=O)CCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261819308 510077987 /nfs/dbraw/zinc/07/79/87/510077987.db2.gz SCOBYQTVXWSPPL-XLIONFOSSA-N 1 3 353.466 2.698 20 0 FFADHO CC(C)Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261876814 510097098 /nfs/dbraw/zinc/09/70/98/510097098.db2.gz OTSVPVZOKFTXHR-SFTDATJTSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000245710369 510101749 /nfs/dbraw/zinc/10/17/49/510101749.db2.gz NDHSRVHEPSUIQO-OOOLTRJPSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000245710369 510101758 /nfs/dbraw/zinc/10/17/58/510101758.db2.gz NDHSRVHEPSUIQO-OOOLTRJPSA-N 1 3 357.542 2.881 20 0 FFADHO CCNC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245714966 510104258 /nfs/dbraw/zinc/10/42/58/510104258.db2.gz NVHPOJBYPVTOBB-WTGUMLROSA-N 1 3 356.514 2.575 20 0 FFADHO CCNC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245714966 510104263 /nfs/dbraw/zinc/10/42/63/510104263.db2.gz NVHPOJBYPVTOBB-WTGUMLROSA-N 1 3 356.514 2.575 20 0 FFADHO CC[C@H](COC)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000268885185 510117231 /nfs/dbraw/zinc/11/72/31/510117231.db2.gz XOMUAWPVGBTADN-GOSISDBHSA-N 1 3 350.503 2.691 20 0 FFADHO CC[C@H](COC)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268885185 510117236 /nfs/dbraw/zinc/11/72/36/510117236.db2.gz XOMUAWPVGBTADN-GOSISDBHSA-N 1 3 350.503 2.691 20 0 FFADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)[C@@H](C)C1 ZINC000245797929 510148748 /nfs/dbraw/zinc/14/87/48/510148748.db2.gz XGPIHVQRTYFBEZ-PXNSSMCTSA-N 1 3 373.541 2.754 20 0 FFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)[C@@H](C)C1 ZINC000245797929 510148757 /nfs/dbraw/zinc/14/87/57/510148757.db2.gz XGPIHVQRTYFBEZ-PXNSSMCTSA-N 1 3 373.541 2.754 20 0 FFADHO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc(OCCN(C)C)c1 ZINC000268952038 510154874 /nfs/dbraw/zinc/15/48/74/510154874.db2.gz VSETWUHNIAZCHC-WDSOQIARSA-N 1 3 361.530 2.925 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000245878159 510182658 /nfs/dbraw/zinc/18/26/58/510182658.db2.gz AUSDYIWNGANKCP-PWRODBHTSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000245878159 510182667 /nfs/dbraw/zinc/18/26/67/510182667.db2.gz AUSDYIWNGANKCP-PWRODBHTSA-N 1 3 370.541 2.949 20 0 FFADHO CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000262265567 510226510 /nfs/dbraw/zinc/22/65/10/510226510.db2.gz JWFYNYJNPIKHAZ-LWUIHUKISA-N 1 3 355.526 2.873 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]3CN3CCCC3)ccc21 ZINC000269235470 510302420 /nfs/dbraw/zinc/30/24/20/510302420.db2.gz GSABJLRLOARLFZ-IBGZPJMESA-N 1 3 354.498 2.691 20 0 FFADHO CCC[C@](C)(N)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000269263477 510314659 /nfs/dbraw/zinc/31/46/59/510314659.db2.gz XIYABOOHZMZCFX-IBGZPJMESA-N 1 3 351.491 2.872 20 0 FFADHO [NH3+]CCCCCCC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000269316964 510337629 /nfs/dbraw/zinc/33/76/29/510337629.db2.gz ZXDCTJUTJDTGFE-UHFFFAOYSA-N 1 3 360.546 2.614 20 0 FFADHO CCC[C@](C)([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000262707266 510379040 /nfs/dbraw/zinc/37/90/40/510379040.db2.gz NGPCNTGWWNIBAE-IBGZPJMESA-N 1 3 367.921 2.817 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000178033868 510390065 /nfs/dbraw/zinc/39/00/65/510390065.db2.gz NPYWSMOIGXQIEO-OALUTQOASA-N 1 3 360.546 2.525 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000266075746 510395933 /nfs/dbraw/zinc/39/59/33/510395933.db2.gz LJGLLVBXFPTRBX-MJGOQNOKSA-N 1 3 361.530 2.962 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262778854 510409062 /nfs/dbraw/zinc/40/90/62/510409062.db2.gz KGBGOSOISYNSPI-TXXUCJGISA-N 1 3 373.541 2.688 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262778854 510409067 /nfs/dbraw/zinc/40/90/67/510409067.db2.gz KGBGOSOISYNSPI-TXXUCJGISA-N 1 3 373.541 2.688 20 0 FFADHO CC(C)N1CCC[C@H]([NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000246341379 510436289 /nfs/dbraw/zinc/43/62/89/510436289.db2.gz LKTRYVSMCKQMTG-GGPKGHCWSA-N 1 3 365.562 2.597 20 0 FFADHO COCCN1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000184701042 510471318 /nfs/dbraw/zinc/47/13/18/510471318.db2.gz BJESGBBRIXBDMR-UHFFFAOYSA-N 1 3 373.541 2.516 20 0 FFADHO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)nc2)C1 ZINC000269646788 510496574 /nfs/dbraw/zinc/49/65/74/510496574.db2.gz HTBXEJOZTUHYHG-RTBURBONSA-N 1 3 371.529 2.567 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246536213 510543974 /nfs/dbraw/zinc/54/39/74/510543974.db2.gz FULOZUNEORMADM-CEXWTWQISA-N 1 3 365.562 2.599 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246536213 510543982 /nfs/dbraw/zinc/54/39/82/510543982.db2.gz FULOZUNEORMADM-CEXWTWQISA-N 1 3 365.562 2.599 20 0 FFADHO CC1(C)[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000181707113 510549155 /nfs/dbraw/zinc/54/91/55/510549155.db2.gz TTWDFBUXYQUOED-NJYVYQBISA-N 1 3 358.526 2.937 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000246561082 510556688 /nfs/dbraw/zinc/55/66/88/510556688.db2.gz YZQQMUTYJQKWCF-HCXYKTFWSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000246561082 510556690 /nfs/dbraw/zinc/55/66/90/510556690.db2.gz YZQQMUTYJQKWCF-HCXYKTFWSA-N 1 3 350.551 2.764 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246662179 510606220 /nfs/dbraw/zinc/60/62/20/510606220.db2.gz WLEVYAOKLILYMW-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246662179 510606229 /nfs/dbraw/zinc/60/62/29/510606229.db2.gz WLEVYAOKLILYMW-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO CN(CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000246761067 510657220 /nfs/dbraw/zinc/65/72/20/510657220.db2.gz YDTOMJXROYMPHU-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000246761067 510657224 /nfs/dbraw/zinc/65/72/24/510657224.db2.gz YDTOMJXROYMPHU-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000246761079 510660354 /nfs/dbraw/zinc/66/03/54/510660354.db2.gz YDTOMJXROYMPHU-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000246761079 510660360 /nfs/dbraw/zinc/66/03/60/510660360.db2.gz YDTOMJXROYMPHU-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC000175562939 510679630 /nfs/dbraw/zinc/67/96/30/510679630.db2.gz IRVMHKNQSMBCJS-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO Cc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c(OCCN(C)C)c1 ZINC000172502698 510757305 /nfs/dbraw/zinc/75/73/05/510757305.db2.gz XTUZHUONQHQIDI-UHFFFAOYSA-N 1 3 374.529 2.931 20 0 FFADHO COc1ccc(C[C@H](C)C[NH2+]C2CCN(CCN(C)C)CC2)cc1F ZINC000185272024 510783205 /nfs/dbraw/zinc/78/32/05/510783205.db2.gz BVTNEIXJGQQHIR-INIZCTEOSA-N 1 3 351.510 2.629 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000175771869 510784334 /nfs/dbraw/zinc/78/43/34/510784334.db2.gz IQFLMPXWGDHPDO-LJQANCHMSA-N 1 3 352.567 2.728 20 0 FFADHO CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000263724475 510810628 /nfs/dbraw/zinc/81/06/28/510810628.db2.gz SKHWSNBBJWCPDC-LJQANCHMSA-N 1 3 374.573 2.532 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(CO)c1 ZINC000182231077 510825895 /nfs/dbraw/zinc/82/58/95/510825895.db2.gz JQWZWOFGBFNEFV-HTAPYJJXSA-N 1 3 354.494 2.986 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(CO)c1 ZINC000182231077 510825899 /nfs/dbraw/zinc/82/58/99/510825899.db2.gz JQWZWOFGBFNEFV-HTAPYJJXSA-N 1 3 354.494 2.986 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182242565 510831282 /nfs/dbraw/zinc/83/12/82/510831282.db2.gz JLRFWAGWNADUSS-QFBILLFUSA-N 1 3 362.514 2.853 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182242565 510831290 /nfs/dbraw/zinc/83/12/90/510831290.db2.gz JLRFWAGWNADUSS-QFBILLFUSA-N 1 3 362.514 2.853 20 0 FFADHO CN1CCCN(CCC[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000182327731 510850549 /nfs/dbraw/zinc/85/05/49/510850549.db2.gz WTJRBCADBRWDFW-SFTDATJTSA-N 1 3 359.558 2.988 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000247248526 510854144 /nfs/dbraw/zinc/85/41/44/510854144.db2.gz ZNBHSBBKAADFDF-PXNSSMCTSA-N 1 3 361.530 2.615 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247282185 510855397 /nfs/dbraw/zinc/85/53/97/510855397.db2.gz KJDFZNKAVHOIDV-AZUAARDMSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247282185 510855398 /nfs/dbraw/zinc/85/53/98/510855398.db2.gz KJDFZNKAVHOIDV-AZUAARDMSA-N 1 3 360.546 2.784 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247317015 510856830 /nfs/dbraw/zinc/85/68/30/510856830.db2.gz HQWDDOHCICDQAX-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000247508302 510863742 /nfs/dbraw/zinc/86/37/42/510863742.db2.gz VMCZOQMNEUTMDM-GHTZIAJQSA-N 1 3 372.557 2.629 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000247508302 510863743 /nfs/dbraw/zinc/86/37/43/510863743.db2.gz VMCZOQMNEUTMDM-GHTZIAJQSA-N 1 3 372.557 2.629 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000285358651 510874716 /nfs/dbraw/zinc/87/47/16/510874716.db2.gz VMXIRERXUYFEBD-IBGZPJMESA-N 1 3 370.545 2.594 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC000282178913 510875305 /nfs/dbraw/zinc/87/53/05/510875305.db2.gz FNKPMNBYTRDEGR-CTNGQTDRSA-N 1 3 358.574 2.655 20 0 FFADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(=O)[nH]n1 ZINC000285529041 510943370 /nfs/dbraw/zinc/94/33/70/510943370.db2.gz BNYCPXCCTIGDEM-CQSZACIVSA-N 1 3 360.889 2.986 20 0 FFADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000294183501 510982512 /nfs/dbraw/zinc/98/25/12/510982512.db2.gz UFZUIHORZFXTCX-TZIWHRDSSA-N 1 3 373.541 2.549 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000361067850 510988948 /nfs/dbraw/zinc/98/89/48/510988948.db2.gz OBIZUFAHTPIXDB-UHFFFAOYSA-N 1 3 365.562 2.602 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361722660 511085353 /nfs/dbraw/zinc/08/53/53/511085353.db2.gz ARCJMSSQMFQEKZ-ROUUACIJSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361722660 511085357 /nfs/dbraw/zinc/08/53/57/511085357.db2.gz ARCJMSSQMFQEKZ-ROUUACIJSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCN1 ZINC000333276253 511186755 /nfs/dbraw/zinc/18/67/55/511186755.db2.gz LLVGCOOKUPGINU-YYIAUSFCSA-N 1 3 355.482 2.714 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H]1SC ZINC000291428837 511193440 /nfs/dbraw/zinc/19/34/40/511193440.db2.gz IYIDIEIERSQYDX-XUVXKRRUSA-N 1 3 364.555 2.642 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)CCCN4)CC2)CC1 ZINC000333339626 511210270 /nfs/dbraw/zinc/21/02/70/511210270.db2.gz PMKOJXVMPCVPIP-UHFFFAOYSA-N 1 3 371.529 2.725 20 0 FFADHO C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271553158 511243682 /nfs/dbraw/zinc/24/36/82/511243682.db2.gz VDECVDPYIWEJCX-RBDMOPTHSA-N 1 3 372.509 2.762 20 0 FFADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC[N@@H+]1C ZINC000283142931 511252670 /nfs/dbraw/zinc/25/26/70/511252670.db2.gz SDTGLIZBSJZUJF-KBPBESRZSA-N 1 3 353.894 2.949 20 0 FFADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC[N@H+]1C ZINC000283142931 511252676 /nfs/dbraw/zinc/25/26/76/511252676.db2.gz SDTGLIZBSJZUJF-KBPBESRZSA-N 1 3 353.894 2.949 20 0 FFADHO COC(=O)CCCN1CCC([NH2+][C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000271709459 511296143 /nfs/dbraw/zinc/29/61/43/511296143.db2.gz AJBVYVFLOSUNLL-NRFANRHFSA-N 1 3 373.541 2.831 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000291719293 511309113 /nfs/dbraw/zinc/30/91/13/511309113.db2.gz WMQWKHGQLNQPAD-KRWDZBQOSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000291719293 511309118 /nfs/dbraw/zinc/30/91/18/511309118.db2.gz WMQWKHGQLNQPAD-KRWDZBQOSA-N 1 3 358.530 2.764 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc21 ZINC000283359596 511335355 /nfs/dbraw/zinc/33/53/55/511335355.db2.gz NBXJMMQTBJSPNJ-RTWAWAEBSA-N 1 3 373.541 2.784 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000283389048 511348001 /nfs/dbraw/zinc/34/80/01/511348001.db2.gz UFXHDVJFBHTJIZ-GMAHTHKFSA-N 1 3 372.601 2.903 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2=CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000271859434 511350255 /nfs/dbraw/zinc/35/02/55/511350255.db2.gz IFAZDHKLNKOGPM-PXNSSMCTSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2=CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000271859434 511350258 /nfs/dbraw/zinc/35/02/58/511350258.db2.gz IFAZDHKLNKOGPM-PXNSSMCTSA-N 1 3 356.514 2.601 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)C[C@H]21 ZINC000333869845 511378103 /nfs/dbraw/zinc/37/81/03/511378103.db2.gz BNFGFAQUKSOGTL-QBPKDAKJSA-N 1 3 362.543 2.654 20 0 FFADHO C[C@@H](NCCC(=O)NC(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298949250 511462212 /nfs/dbraw/zinc/46/22/12/511462212.db2.gz OLMFLOWQYQTONR-SJORKVTESA-N 1 3 372.513 2.967 20 0 FFADHO C[C@@H](NCCC(=O)NC(=O)Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298949250 511462219 /nfs/dbraw/zinc/46/22/19/511462219.db2.gz OLMFLOWQYQTONR-SJORKVTESA-N 1 3 372.513 2.967 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)NC(=O)Nc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000298949250 511462222 /nfs/dbraw/zinc/46/22/22/511462222.db2.gz OLMFLOWQYQTONR-SJORKVTESA-N 1 3 372.513 2.967 20 0 FFADHO COc1ccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000299450790 511640940 /nfs/dbraw/zinc/64/09/40/511640940.db2.gz JNOQURHEMKPMTG-MRXNPFEDSA-N 1 3 374.529 2.614 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1)C(C)C ZINC000363591900 511645129 /nfs/dbraw/zinc/64/51/29/511645129.db2.gz IDTNVOGOVOJGAB-UXHICEINSA-N 1 3 359.514 2.510 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1)C(C)C ZINC000363591900 511645133 /nfs/dbraw/zinc/64/51/33/511645133.db2.gz IDTNVOGOVOJGAB-UXHICEINSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000365986556 511766708 /nfs/dbraw/zinc/76/67/08/511766708.db2.gz ZFFRWWIHHRHVOD-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000309650571 511770958 /nfs/dbraw/zinc/77/09/58/511770958.db2.gz ABXQOGPEDSYAPN-FGZHOGPDSA-N 1 3 354.494 2.676 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000309650571 511770960 /nfs/dbraw/zinc/77/09/60/511770960.db2.gz ABXQOGPEDSYAPN-FGZHOGPDSA-N 1 3 354.494 2.676 20 0 FFADHO CCOC(=O)c1cc(CNCc2cccc(OCC[NH+](C)C)c2)[nH]c1C ZINC000296619328 511823191 /nfs/dbraw/zinc/82/31/91/511823191.db2.gz ZUJHJJWGASIUBR-UHFFFAOYSA-N 1 3 359.470 2.730 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000296870473 511930769 /nfs/dbraw/zinc/93/07/69/511930769.db2.gz BRVPEJDKVLITHD-VJNRDTIXSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000296870473 511930772 /nfs/dbraw/zinc/93/07/72/511930772.db2.gz BRVPEJDKVLITHD-VJNRDTIXSA-N 1 3 356.514 2.574 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)CC1 ZINC000274811870 511949176 /nfs/dbraw/zinc/94/91/76/511949176.db2.gz NALXEMWCXBREJM-PMACEKPBSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2)CC1 ZINC000274811870 511949186 /nfs/dbraw/zinc/94/91/86/511949186.db2.gz NALXEMWCXBREJM-PMACEKPBSA-N 1 3 371.529 2.577 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000366454464 512032978 /nfs/dbraw/zinc/03/29/78/512032978.db2.gz XVLHISVSIXTGAG-HKBOAZHASA-N 1 3 371.525 2.606 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000371583958 512479451 /nfs/dbraw/zinc/47/94/51/512479451.db2.gz PEQIPIXHLHLLJV-ICSRJNTNSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000371583958 512479457 /nfs/dbraw/zinc/47/94/57/512479457.db2.gz PEQIPIXHLHLLJV-ICSRJNTNSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000375891687 512556530 /nfs/dbraw/zinc/55/65/30/512556530.db2.gz WNBAXDCQLPURDB-JCECYMMASA-N 1 3 367.534 2.521 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375891687 512556532 /nfs/dbraw/zinc/55/65/32/512556532.db2.gz WNBAXDCQLPURDB-JCECYMMASA-N 1 3 367.534 2.521 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375891687 512556536 /nfs/dbraw/zinc/55/65/36/512556536.db2.gz WNBAXDCQLPURDB-JCECYMMASA-N 1 3 367.534 2.521 20 0 FFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCC[C@H]1CN1CCOCC1 ZINC000411287006 512563822 /nfs/dbraw/zinc/56/38/22/512563822.db2.gz ABSNENQQCSZIAL-QFIPXVFZSA-N 1 3 357.542 2.969 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000373932612 512577834 /nfs/dbraw/zinc/57/78/34/512577834.db2.gz ILOTZTOIDIUFBJ-RTWAWAEBSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000373932612 512577837 /nfs/dbraw/zinc/57/78/37/512577837.db2.gz ILOTZTOIDIUFBJ-RTWAWAEBSA-N 1 3 370.541 2.885 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000371966781 512657822 /nfs/dbraw/zinc/65/78/22/512657822.db2.gz NLGXNXOLJFWRRC-GTAWCEEGSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000371966781 512657826 /nfs/dbraw/zinc/65/78/26/512657826.db2.gz NLGXNXOLJFWRRC-GTAWCEEGSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@H]1CN(CCSc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378309802 512689256 /nfs/dbraw/zinc/68/92/56/512689256.db2.gz BXHUCSCIDZBJHN-QFBILLFUSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378309802 512689262 /nfs/dbraw/zinc/68/92/62/512689262.db2.gz BXHUCSCIDZBJHN-QFBILLFUSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H]1C[N@@H+](CCSc2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378309802 512689268 /nfs/dbraw/zinc/68/92/68/512689268.db2.gz BXHUCSCIDZBJHN-QFBILLFUSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000376203555 512708891 /nfs/dbraw/zinc/70/88/91/512708891.db2.gz PEDYZJRDYIGCEF-QFBILLFUSA-N 1 3 351.922 2.677 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000376203555 512708895 /nfs/dbraw/zinc/70/88/95/512708895.db2.gz PEDYZJRDYIGCEF-QFBILLFUSA-N 1 3 351.922 2.677 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1=CCN(C)CC1 ZINC000370000018 512720341 /nfs/dbraw/zinc/72/03/41/512720341.db2.gz SIEARMUAFJURMI-RBUKOAKNSA-N 1 3 362.562 2.934 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000370008419 512724550 /nfs/dbraw/zinc/72/45/50/512724550.db2.gz LMRIRFYBQWJREQ-SFHVURJKSA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCC[C@H]2OCCC(C)C)CC1 ZINC000411663000 512744336 /nfs/dbraw/zinc/74/43/36/512744336.db2.gz CIUMJEYPXKKHIV-RTBURBONSA-N 1 3 353.551 2.550 20 0 FFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000376340681 512775928 /nfs/dbraw/zinc/77/59/28/512775928.db2.gz XQVMVJDGHBRMEN-YLJYHZDGSA-N 1 3 361.530 2.974 20 0 FFADHO CCCCO[C@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411721375 512778011 /nfs/dbraw/zinc/77/80/11/512778011.db2.gz OLQXSXFFUFOJQU-ROUUACIJSA-N 1 3 353.551 2.549 20 0 FFADHO COc1cccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000372419523 512865603 /nfs/dbraw/zinc/86/56/03/512865603.db2.gz CSKVBRALAMJPTQ-FXAWDEMLSA-N 1 3 359.514 2.728 20 0 FFADHO [NH3+][C@H]1C[C@H](NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000390893787 512912323 /nfs/dbraw/zinc/91/23/23/512912323.db2.gz BQCFAYAWPXNBIN-VXKWHMMOSA-N 1 3 350.510 2.539 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C12CCC2 ZINC000397529908 512947936 /nfs/dbraw/zinc/94/79/36/512947936.db2.gz YSVGHYGLYWYAHQ-WOJBJXKFSA-N 1 3 358.526 2.951 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000374804234 513011915 /nfs/dbraw/zinc/01/19/15/513011915.db2.gz BCDHYGIBNPLTQV-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@@H]1N1CCN(C)CC1 ZINC000370706980 513063252 /nfs/dbraw/zinc/06/32/52/513063252.db2.gz NIFFHEMPCIHCFN-XLIONFOSSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@@H]1N1CCN(C)CC1 ZINC000370706980 513063255 /nfs/dbraw/zinc/06/32/55/513063255.db2.gz NIFFHEMPCIHCFN-XLIONFOSSA-N 1 3 357.542 2.858 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000412419457 513069593 /nfs/dbraw/zinc/06/95/93/513069593.db2.gz PYCJFCYROJXDDR-INIZCTEOSA-N 1 3 351.466 2.969 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000412419457 513069597 /nfs/dbraw/zinc/06/95/97/513069597.db2.gz PYCJFCYROJXDDR-INIZCTEOSA-N 1 3 351.466 2.969 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)(N2CCCCC2)CC1 ZINC000370738037 513078198 /nfs/dbraw/zinc/07/81/98/513078198.db2.gz HGWWPPZBESTYIC-CVEARBPZSA-N 1 3 363.468 2.636 20 0 FFADHO C[C@@H]([NH2+]C1CCC(N(C)Cc2ccccc2)CC1)C1(S(C)(=O)=O)CC1 ZINC000370739377 513078306 /nfs/dbraw/zinc/07/83/06/513078306.db2.gz KNSYKRKMHGYCLR-IPJUCJBFSA-N 1 3 364.555 2.985 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372880216 513087505 /nfs/dbraw/zinc/08/75/05/513087505.db2.gz IJUQKDVFLYISKC-OALUTQOASA-N 1 3 358.530 2.823 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000372880216 513087507 /nfs/dbraw/zinc/08/75/07/513087507.db2.gz IJUQKDVFLYISKC-OALUTQOASA-N 1 3 358.530 2.823 20 0 FFADHO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428651137 513154189 /nfs/dbraw/zinc/15/41/89/513154189.db2.gz XGGOKPBSFRKCGI-HXUWFJFHSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H](O)CN1CCC(C[N@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450367931 513161314 /nfs/dbraw/zinc/16/13/14/513161314.db2.gz YCLDKUPJCNJBJY-INIZCTEOSA-N 1 3 350.478 2.813 20 0 FFADHO C[C@H](O)CN1CCC(C[N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450367931 513161319 /nfs/dbraw/zinc/16/13/19/513161319.db2.gz YCLDKUPJCNJBJY-INIZCTEOSA-N 1 3 350.478 2.813 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417692541 513165803 /nfs/dbraw/zinc/16/58/03/513165803.db2.gz YQRRLSWQDPBAFR-YLJYHZDGSA-N 1 3 372.557 2.758 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000433940241 513192860 /nfs/dbraw/zinc/19/28/60/513192860.db2.gz JKKXTOGUAPHTOJ-VDGAXYAQSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000433940241 513192861 /nfs/dbraw/zinc/19/28/61/513192861.db2.gz JKKXTOGUAPHTOJ-VDGAXYAQSA-N 1 3 360.546 2.662 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417747449 513193918 /nfs/dbraw/zinc/19/39/18/513193918.db2.gz RLJIVCGJDDNHIF-ZBFHGGJFSA-N 1 3 372.435 2.736 20 0 FFADHO CN(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)[C@H](C[NH3+])C1CC1 ZINC000415301094 513194774 /nfs/dbraw/zinc/19/47/74/513194774.db2.gz ASKPAXBMDFGRFN-LJQANCHMSA-N 1 3 360.502 2.752 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446141412 513195277 /nfs/dbraw/zinc/19/52/77/513195277.db2.gz YJALGLGWVIVGBN-MJGOQNOKSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417816911 513219597 /nfs/dbraw/zinc/21/95/97/513219597.db2.gz DHRAWHKTSOLZIV-BWPNAZKDSA-N 1 3 358.530 2.808 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000417827638 513225214 /nfs/dbraw/zinc/22/52/14/513225214.db2.gz PTZKYWNBNUGHHK-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN1C[C@@H](C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1=O ZINC000421349446 513232386 /nfs/dbraw/zinc/23/23/86/513232386.db2.gz JITHTIRGMIIIEN-GOSISDBHSA-N 1 3 372.557 2.565 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3c(C)cc(OC)nc3C)CC2)CC1 ZINC000421374591 513240943 /nfs/dbraw/zinc/24/09/43/513240943.db2.gz OAHQYNRWMNMEHV-UHFFFAOYSA-N 1 3 360.546 2.699 20 0 FFADHO C[NH+](C)C1CCC(NCc2ncc(I)s2)CC1 ZINC000421373035 513240960 /nfs/dbraw/zinc/24/09/60/513240960.db2.gz MADFPCKMVYQFLU-UHFFFAOYSA-N 1 3 365.284 2.710 20 0 FFADHO CCCn1nc(C)c(CN2CCCN(C3CC[NH+](CC)CC3)CC2)c1C ZINC000421383581 513244763 /nfs/dbraw/zinc/24/47/63/513244763.db2.gz ZJOOXNHWPURVEV-UHFFFAOYSA-N 1 3 361.578 2.902 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000440169996 513264052 /nfs/dbraw/zinc/26/40/52/513264052.db2.gz AAPBKXCHIQPNAG-QYZOEREBSA-N 1 3 350.551 2.765 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440169996 513264067 /nfs/dbraw/zinc/26/40/67/513264067.db2.gz AAPBKXCHIQPNAG-QYZOEREBSA-N 1 3 350.551 2.765 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)[C@H]1c1ccccc1 ZINC000417943327 513294856 /nfs/dbraw/zinc/29/48/56/513294856.db2.gz OWBMNLKZKPEQHJ-XUVXKRRUSA-N 1 3 370.541 2.851 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418093700 513369349 /nfs/dbraw/zinc/36/93/49/513369349.db2.gz CFTLEXLRAZNRMS-KSZLIROESA-N 1 3 350.551 2.671 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000418133833 513385670 /nfs/dbraw/zinc/38/56/70/513385670.db2.gz GLTAAXHQERYFQD-PMACEKPBSA-N 1 3 358.530 2.728 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418177188 513406304 /nfs/dbraw/zinc/40/63/04/513406304.db2.gz VNBYYXVGJGAULG-OAQYLSRUSA-N 1 3 362.562 2.818 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC2(C1)CC[NH2+]CC2)N(C)C ZINC000418180318 513407691 /nfs/dbraw/zinc/40/76/91/513407691.db2.gz KFVAZOMQUJUBIJ-PKOBYXMFSA-N 1 3 358.530 2.771 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418189817 513413558 /nfs/dbraw/zinc/41/35/58/513413558.db2.gz VTTGSNNEDHAOMM-DLBZAZTESA-N 1 3 352.910 2.774 20 0 FFADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC[NH2+]CC1 ZINC000418193539 513414086 /nfs/dbraw/zinc/41/40/86/513414086.db2.gz NTPKGGCYGJZBAJ-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000418207242 513421795 /nfs/dbraw/zinc/42/17/95/513421795.db2.gz PEIHNMOBZJLPQF-GOSISDBHSA-N 1 3 362.518 2.518 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000418239374 513436542 /nfs/dbraw/zinc/43/65/42/513436542.db2.gz HDOBTXZHIVJBGO-YOFSQIOKSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000447288608 513438101 /nfs/dbraw/zinc/43/81/01/513438101.db2.gz SBPVOCOEKIOJBX-IRXDYDNUSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000447288608 513438111 /nfs/dbraw/zinc/43/81/11/513438111.db2.gz SBPVOCOEKIOJBX-IRXDYDNUSA-N 1 3 350.507 2.616 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418289073 513452415 /nfs/dbraw/zinc/45/24/15/513452415.db2.gz XFMSBKDIBCPUKI-UHFFFAOYSA-N 1 3 352.548 2.873 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000418336990 513470217 /nfs/dbraw/zinc/47/02/17/513470217.db2.gz IPZDFIHAAOPYLA-WBVHZDCISA-N 1 3 366.937 2.801 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418354151 513480662 /nfs/dbraw/zinc/48/06/62/513480662.db2.gz WEEMERHFQOVKIE-DWLFOUALSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418357801 513481628 /nfs/dbraw/zinc/48/16/28/513481628.db2.gz YOOGCCKDEMOCAZ-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000418393987 513494009 /nfs/dbraw/zinc/49/40/09/513494009.db2.gz FXPIQKKVBPILNH-CMTQZCSUSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000415949072 513494289 /nfs/dbraw/zinc/49/42/89/513494289.db2.gz VRFAJGDXWJTRFH-DNVCBOLYSA-N 1 3 356.470 2.837 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418399191 513495563 /nfs/dbraw/zinc/49/55/63/513495563.db2.gz DKBIVZTVBRBSQH-WMZOPIPTSA-N 1 3 366.937 2.931 20 0 FFADHO CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418404495 513497179 /nfs/dbraw/zinc/49/71/79/513497179.db2.gz CNLDKTVCACELJR-SLFFLAALSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415981590 513515088 /nfs/dbraw/zinc/51/50/88/513515088.db2.gz WIOQWOPPHKGSEW-HNNXBMFYSA-N 1 3 353.470 2.887 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000415980796 513515728 /nfs/dbraw/zinc/51/57/28/513515728.db2.gz HOLSUXBLCAYRRF-UHFFFAOYSA-N 1 3 353.470 2.839 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[NH2+]C2CCCCCC2)o1 ZINC000418453097 513516498 /nfs/dbraw/zinc/51/64/98/513516498.db2.gz YOMCLYUHPLWMDQ-UHFFFAOYSA-N 1 3 364.534 2.974 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418482496 513527688 /nfs/dbraw/zinc/52/76/88/513527688.db2.gz DZHOMSQKWGURMO-XPGWFJOJSA-N 1 3 354.498 2.821 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418482496 513527693 /nfs/dbraw/zinc/52/76/93/513527693.db2.gz DZHOMSQKWGURMO-XPGWFJOJSA-N 1 3 354.498 2.821 20 0 FFADHO C[C@@]1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCCN1Cc1ccccc1 ZINC000416025095 513545186 /nfs/dbraw/zinc/54/51/86/513545186.db2.gz GTBVXHJFYNSSRF-WBVHZDCISA-N 1 3 372.435 2.620 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CN1C1CC1 ZINC000441379050 513555797 /nfs/dbraw/zinc/55/57/97/513555797.db2.gz DEVVKOAKMQYVPN-PKOBYXMFSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CN1C1CC1 ZINC000441379050 513555804 /nfs/dbraw/zinc/55/58/04/513555804.db2.gz DEVVKOAKMQYVPN-PKOBYXMFSA-N 1 3 362.562 2.909 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441378606 513556341 /nfs/dbraw/zinc/55/63/41/513556341.db2.gz DSJAIWQPVFWRLM-NTDBWNAOSA-N 1 3 350.551 2.811 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC000418595101 513571552 /nfs/dbraw/zinc/57/15/52/513571552.db2.gz WTLTXMRRHWYZMF-UHFFFAOYSA-N 1 3 356.514 2.696 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418620067 513579497 /nfs/dbraw/zinc/57/94/97/513579497.db2.gz KGFWLXIHFRIDDB-FXAWDEMLSA-N 1 3 358.530 2.667 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418623223 513581601 /nfs/dbraw/zinc/58/16/01/513581601.db2.gz WKUAKKVPKLOZHI-DFQSSKMNSA-N 1 3 358.530 2.538 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000441519932 513587007 /nfs/dbraw/zinc/58/70/07/513587007.db2.gz BSSHPSXHQKVCCS-SOAGJPPSSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000418647458 513589057 /nfs/dbraw/zinc/58/90/57/513589057.db2.gz YFECERZUZMPINY-HXUWFJFHSA-N 1 3 356.514 2.533 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC[N@H+](C2CCCC2)CC1 ZINC000418647458 513589066 /nfs/dbraw/zinc/58/90/66/513589066.db2.gz YFECERZUZMPINY-HXUWFJFHSA-N 1 3 356.514 2.533 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416134716 513590172 /nfs/dbraw/zinc/59/01/72/513590172.db2.gz PENFDUJYJZEAOF-NHCUHLMSSA-N 1 3 353.510 2.969 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418678436 513607945 /nfs/dbraw/zinc/60/79/45/513607945.db2.gz CKLOOEGXMQNLPE-IYARVYRRSA-N 1 3 352.567 2.905 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000418718677 513623675 /nfs/dbraw/zinc/62/36/75/513623675.db2.gz DOVDDEBNDOFAGL-YZGWKJHDSA-N 1 3 358.530 2.810 20 0 FFADHO CS[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1N1CCCC1 ZINC000416197872 513640473 /nfs/dbraw/zinc/64/04/73/513640473.db2.gz JCLAKWZYVHKIOW-CEXWTWQISA-N 1 3 361.555 2.718 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1)CC(C)C ZINC000418757492 513642661 /nfs/dbraw/zinc/64/26/61/513642661.db2.gz JIXBHDVETWXLQK-QGZVFWFLSA-N 1 3 374.520 2.773 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1)CC(C)C ZINC000418757492 513642665 /nfs/dbraw/zinc/64/26/65/513642665.db2.gz JIXBHDVETWXLQK-QGZVFWFLSA-N 1 3 374.520 2.773 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418801063 513662729 /nfs/dbraw/zinc/66/27/29/513662729.db2.gz VDZHSERPMXOLOA-CEXWTWQISA-N 1 3 350.551 2.672 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418802328 513662806 /nfs/dbraw/zinc/66/28/06/513662806.db2.gz VUQAGVAQMFZLLR-RCCFBDPRSA-N 1 3 364.578 2.917 20 0 FFADHO C[C@H](CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419547 513740299 /nfs/dbraw/zinc/74/02/99/513740299.db2.gz LLPLHBDZKSOODA-FFFWSKEGSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@H](CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419547 513740306 /nfs/dbraw/zinc/74/03/06/513740306.db2.gz LLPLHBDZKSOODA-FFFWSKEGSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451419547 513740314 /nfs/dbraw/zinc/74/03/14/513740314.db2.gz LLPLHBDZKSOODA-FFFWSKEGSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451419547 513740321 /nfs/dbraw/zinc/74/03/21/513740321.db2.gz LLPLHBDZKSOODA-FFFWSKEGSA-N 1 3 364.574 2.873 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000448460453 513762384 /nfs/dbraw/zinc/76/23/84/513762384.db2.gz BXZKMWAYKBVFNE-HOJAQTOUSA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000448460453 513762391 /nfs/dbraw/zinc/76/23/91/513762391.db2.gz BXZKMWAYKBVFNE-HOJAQTOUSA-N 1 3 360.546 2.531 20 0 FFADHO C[C@@H]1CN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430937548 513787770 /nfs/dbraw/zinc/78/77/70/513787770.db2.gz CPSMGZSWQQKTGT-XLIONFOSSA-N 1 3 351.494 2.951 20 0 FFADHO [NH3+]CC1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCCC1 ZINC000431026529 513807887 /nfs/dbraw/zinc/80/78/87/513807887.db2.gz FUQNGHWRUSSGQU-UHFFFAOYSA-N 1 3 356.514 2.676 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431029371 513808527 /nfs/dbraw/zinc/80/85/27/513808527.db2.gz CPVBJXPRKGHASH-CQSZACIVSA-N 1 3 351.441 2.560 20 0 FFADHO CN(CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000431280358 513863018 /nfs/dbraw/zinc/86/30/18/513863018.db2.gz JMDHCLZVIDJUTM-UHFFFAOYSA-N 1 3 370.541 2.778 20 0 FFADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422704702 513908481 /nfs/dbraw/zinc/90/84/81/513908481.db2.gz AMJFMJYHIGFCSW-YADHBBJMSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422720407 513912192 /nfs/dbraw/zinc/91/21/92/513912192.db2.gz ZKLVQGHQJCGLOM-DENIHFKCSA-N 1 3 358.574 2.834 20 0 FFADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(OCC(=O)NC3CC3)cc2)c2ccccc21 ZINC000422718372 513912414 /nfs/dbraw/zinc/91/24/14/513912414.db2.gz XCLSXKBGFQOOSV-LEWJYISDSA-N 1 3 365.477 2.621 20 0 FFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422751278 513921805 /nfs/dbraw/zinc/92/18/05/513921805.db2.gz BDEHUIORHIPCMS-SLFFLAALSA-N 1 3 362.489 2.621 20 0 FFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422751280 513922183 /nfs/dbraw/zinc/92/21/83/513922183.db2.gz BDEHUIORHIPCMS-XUVXKRRUSA-N 1 3 362.489 2.621 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762402 513925581 /nfs/dbraw/zinc/92/55/81/513925581.db2.gz NPICIBTWTHOENO-BMGDILEWSA-N 1 3 352.906 2.730 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762402 513925572 /nfs/dbraw/zinc/92/55/72/513925572.db2.gz NPICIBTWTHOENO-BMGDILEWSA-N 1 3 352.906 2.730 20 0 FFADHO CCOc1cc(CCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000422762178 513925627 /nfs/dbraw/zinc/92/56/27/513925627.db2.gz RZTJVSGQVUQELO-CEXWTWQISA-N 1 3 362.514 2.773 20 0 FFADHO Brc1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422823547 513942584 /nfs/dbraw/zinc/94/25/84/513942584.db2.gz DRUYEZGMPXNNIS-HYVNUMGLSA-N 1 3 353.304 2.738 20 0 FFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422839710 513946600 /nfs/dbraw/zinc/94/66/00/513946600.db2.gz AEZYFORVRIMDSY-PMACEKPBSA-N 1 3 372.557 2.626 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]1NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422843658 513948786 /nfs/dbraw/zinc/94/87/86/513948786.db2.gz JDHRDLPYHDEUOT-PKTZIBPZSA-N 1 3 364.537 2.978 20 0 FFADHO CCN1CCN(c2ccc(CN[C@H](C)C[C@@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000422875161 513958927 /nfs/dbraw/zinc/95/89/27/513958927.db2.gz CCHZEHBOOILLAU-QUCCMNQESA-N 1 3 359.562 2.624 20 0 FFADHO C[C@@H]1CN([C@H](C[NH2+][C@H]2CCC[C@H]2N)c2c(F)cccc2Cl)CCO1 ZINC000422874436 513959109 /nfs/dbraw/zinc/95/91/09/513959109.db2.gz CXOAGXSTJJHQDJ-VDNDLQMASA-N 1 3 355.885 2.710 20 0 FFADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)C1 ZINC000422885421 513964658 /nfs/dbraw/zinc/96/46/58/513964658.db2.gz YOVDLWRIISGQSC-CIRFHOKZSA-N 1 3 351.922 2.817 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000416792703 513970226 /nfs/dbraw/zinc/97/02/26/513970226.db2.gz YMTPHGOGQYSBRP-PCCBWWKXSA-N 1 3 370.541 2.855 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422902613 513972303 /nfs/dbraw/zinc/97/23/03/513972303.db2.gz NEIRFBSYFUZDFX-SELNLUPBSA-N 1 3 367.537 2.955 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422902613 513972314 /nfs/dbraw/zinc/97/23/14/513972314.db2.gz NEIRFBSYFUZDFX-SELNLUPBSA-N 1 3 367.537 2.955 20 0 FFADHO CCC[C@H]1CNCCN1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416808882 513975831 /nfs/dbraw/zinc/97/58/31/513975831.db2.gz AMTHHSPKRCEFQE-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CC(C)c1noc(CCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422931231 513980139 /nfs/dbraw/zinc/98/01/39/513980139.db2.gz BDYGJWDCNWVLMH-JXFKEZNVSA-N 1 3 356.470 2.971 20 0 FFADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935810 513981807 /nfs/dbraw/zinc/98/18/07/513981807.db2.gz DVPPKDDARAPFHP-NEPJUHHUSA-N 1 3 373.291 2.625 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000422945772 513985826 /nfs/dbraw/zinc/98/58/26/513985826.db2.gz NVGICJJYRKPDMU-WOUAJJJCSA-N 1 3 359.514 2.543 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000416831093 513989368 /nfs/dbraw/zinc/98/93/68/513989368.db2.gz HGSVLEBEXFSFBN-IAGOWNOFSA-N 1 3 364.559 2.820 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000416843629 513998684 /nfs/dbraw/zinc/99/86/84/513998684.db2.gz OZIMSWURMZZLSO-CVEARBPZSA-N 1 3 350.532 2.526 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426625842 513998733 /nfs/dbraw/zinc/99/87/33/513998733.db2.gz OOTUCSJZBUCBMH-HOTGVXAUSA-N 1 3 360.493 2.622 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426625842 513998740 /nfs/dbraw/zinc/99/87/40/513998740.db2.gz OOTUCSJZBUCBMH-HOTGVXAUSA-N 1 3 360.493 2.622 20 0 FFADHO COc1cc(CN[C@H]2COCC2(C)C)cc(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000451816412 513998926 /nfs/dbraw/zinc/99/89/26/513998926.db2.gz ZDENCXXSVIXNFG-OALUTQOASA-N 1 3 362.514 2.724 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)N(C)C)cc1 ZINC000416847705 513999606 /nfs/dbraw/zinc/99/96/06/513999606.db2.gz VYANWKXPPZZWHC-SFTDATJTSA-N 1 3 372.557 2.883 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCCc3cc(F)ccc32)(N2CCOCC2)CC1 ZINC000414182406 514000197 /nfs/dbraw/zinc/00/01/97/514000197.db2.gz DFKBWDLBMQKNGP-FQEVSTJZSA-N 1 3 361.505 2.589 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416850288 514001321 /nfs/dbraw/zinc/00/13/21/514001321.db2.gz ZMGWXVHVIPPOLV-PZJWPPBQSA-N 1 3 358.530 2.855 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422991860 514001525 /nfs/dbraw/zinc/00/15/25/514001525.db2.gz QGNCPEWPYYYSSA-NSHDSACASA-N 1 3 354.376 2.992 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414185835 514002019 /nfs/dbraw/zinc/00/20/19/514002019.db2.gz HHENZEOOSGMBEE-RTWAWAEBSA-N 1 3 357.542 2.709 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000431800222 514005697 /nfs/dbraw/zinc/00/56/97/514005697.db2.gz ODLJPFLOCOOHFO-RTWAWAEBSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000431800222 514005702 /nfs/dbraw/zinc/00/57/02/514005702.db2.gz ODLJPFLOCOOHFO-RTWAWAEBSA-N 1 3 373.541 2.524 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CN1Cc1ccccc1 ZINC000423011543 514007112 /nfs/dbraw/zinc/00/71/12/514007112.db2.gz JCYORIRYFFVDQU-XRXFAXGQSA-N 1 3 355.526 2.936 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000416859255 514009609 /nfs/dbraw/zinc/00/96/09/514009609.db2.gz ZSYAQTGDGSKLEY-OXJNMPFZSA-N 1 3 354.498 2.678 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](COC)c2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000423017814 514009934 /nfs/dbraw/zinc/00/99/34/514009934.db2.gz PPODRGUXTCLDKN-SUMWQHHRSA-N 1 3 370.440 2.563 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N2CCCC2)c1 ZINC000416861099 514010553 /nfs/dbraw/zinc/01/05/53/514010553.db2.gz WMIRXRLTTHCIBP-MJGOQNOKSA-N 1 3 362.518 2.505 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCCOc3c(F)cccc32)CC[NH2+]CC1 ZINC000423044185 514016502 /nfs/dbraw/zinc/01/65/02/514016502.db2.gz QOSZJQHDJGCSEO-RHSMWYFYSA-N 1 3 364.461 2.950 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423060205 514023198 /nfs/dbraw/zinc/02/31/98/514023198.db2.gz HPXCSIKVVMBIHY-FQLMCAECSA-N 1 3 357.420 2.626 20 0 FFADHO CN(C)[C@@H](CC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccccc1 ZINC000431861859 514023431 /nfs/dbraw/zinc/02/34/31/514023431.db2.gz ZIAOIWIFALMYBX-FQEVSTJZSA-N 1 3 361.530 2.639 20 0 FFADHO CN(C)[C@H](CC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1ccccc1 ZINC000431861860 514024046 /nfs/dbraw/zinc/02/40/46/514024046.db2.gz ZIAOIWIFALMYBX-HXUWFJFHSA-N 1 3 361.530 2.639 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000431865386 514026093 /nfs/dbraw/zinc/02/60/93/514026093.db2.gz PVAVYVHKWFTFJN-APWZRJJASA-N 1 3 350.551 2.813 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000416918275 514045707 /nfs/dbraw/zinc/04/57/07/514045707.db2.gz IXLROAJGZYZFCT-VDZJLULYSA-N 1 3 362.518 2.505 20 0 FFADHO COc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1OCCN(C)C ZINC000420201467 514049390 /nfs/dbraw/zinc/04/93/90/514049390.db2.gz HHFRBRWHCNYHJO-QGZVFWFLSA-N 1 3 363.502 2.839 20 0 FFADHO COc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1OCCN(C)C ZINC000420201467 514049399 /nfs/dbraw/zinc/04/93/99/514049399.db2.gz HHFRBRWHCNYHJO-QGZVFWFLSA-N 1 3 363.502 2.839 20 0 FFADHO Fc1ccc2c(c1)C[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000423128028 514052483 /nfs/dbraw/zinc/05/24/83/514052483.db2.gz UQUVVDVQJUCCOS-CDXJDZJCSA-N 1 3 354.425 2.975 20 0 FFADHO COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423134323 514055599 /nfs/dbraw/zinc/05/55/99/514055599.db2.gz LYKHOFBTJRTLDW-BZUAXINKSA-N 1 3 368.905 2.646 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000423144297 514059289 /nfs/dbraw/zinc/05/92/89/514059289.db2.gz YOZJJZZRUYIRIO-MMOPVJDHSA-N 1 3 364.530 2.898 20 0 FFADHO COC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423148027 514059308 /nfs/dbraw/zinc/05/93/08/514059308.db2.gz DWRGBIIBYPCHTI-DSLXNQLJSA-N 1 3 352.906 2.817 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1Br ZINC000423148994 514059786 /nfs/dbraw/zinc/05/97/86/514059786.db2.gz ACJTVUUHRYHHMA-ZVZYQTTQSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCNCC[C@@H]2C)cc1Br ZINC000423148994 514059793 /nfs/dbraw/zinc/05/97/93/514059793.db2.gz ACJTVUUHRYHHMA-ZVZYQTTQSA-N 1 3 369.347 2.886 20 0 FFADHO C[C@H](CC[NH3+])NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416945603 514059753 /nfs/dbraw/zinc/05/97/53/514059753.db2.gz AEPLAKMOYQCUNT-MRXNPFEDSA-N 1 3 354.498 2.952 20 0 FFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000449084120 514065051 /nfs/dbraw/zinc/06/50/51/514065051.db2.gz WPVQDAVJEICCTG-BZSNNMDCSA-N 1 3 362.514 2.832 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423168138 514067463 /nfs/dbraw/zinc/06/74/63/514067463.db2.gz GVSVBZDLWNMUBI-ZQIUZPCESA-N 1 3 373.310 2.846 20 0 FFADHO N[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423195743 514076930 /nfs/dbraw/zinc/07/69/30/514076930.db2.gz YGCFFZZPCGXUBB-DLBZAZTESA-N 1 3 352.320 2.883 20 0 FFADHO [NH3+][C@H]1CCC[C@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423195743 514076935 /nfs/dbraw/zinc/07/69/35/514076935.db2.gz YGCFFZZPCGXUBB-DLBZAZTESA-N 1 3 352.320 2.883 20 0 FFADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)c(F)c1 ZINC000420300699 514080161 /nfs/dbraw/zinc/08/01/61/514080161.db2.gz DAWCLNUZSPUQLB-INIZCTEOSA-N 1 3 351.853 2.660 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000416975515 514081864 /nfs/dbraw/zinc/08/18/64/514081864.db2.gz MZGGJGCRRAFIRL-JOCHJYFZSA-N 1 3 370.541 2.745 20 0 FFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000423223965 514083071 /nfs/dbraw/zinc/08/30/71/514083071.db2.gz BBDFRCBEHCRYOA-FXAWDEMLSA-N 1 3 357.546 2.946 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000416975944 514083345 /nfs/dbraw/zinc/08/33/45/514083345.db2.gz NNTUBEYRUVGMDG-BZSNNMDCSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000416975944 514083352 /nfs/dbraw/zinc/08/33/52/514083352.db2.gz NNTUBEYRUVGMDG-BZSNNMDCSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(N3CCNCC3)cn2)C1 ZINC000423242588 514090120 /nfs/dbraw/zinc/09/01/20/514090120.db2.gz YVSOXTRWGPDXOE-IEBWSBKVSA-N 1 3 351.498 2.739 20 0 FFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(N3CCNCC3)cn2)C1 ZINC000423242588 514090128 /nfs/dbraw/zinc/09/01/28/514090128.db2.gz YVSOXTRWGPDXOE-IEBWSBKVSA-N 1 3 351.498 2.739 20 0 FFADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420326287 514094184 /nfs/dbraw/zinc/09/41/84/514094184.db2.gz XDAYJTROMZTDCX-BHIYHBOVSA-N 1 3 361.530 2.754 20 0 FFADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423265014 514096342 /nfs/dbraw/zinc/09/63/42/514096342.db2.gz AORPPZFIRNXZKS-BPUTZDHNSA-N 1 3 373.950 2.806 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000423290235 514100292 /nfs/dbraw/zinc/10/02/92/514100292.db2.gz CNKMTQYEJDRRSH-CABCVRRESA-N 1 3 361.511 2.807 20 0 FFADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000420344039 514102189 /nfs/dbraw/zinc/10/21/89/514102189.db2.gz RUMHWTHSXSCIEF-VWPQPMDRSA-N 1 3 355.526 2.884 20 0 FFADHO CS(=O)(=O)c1cccc([C@@H](NCCCC[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423315369 514107561 /nfs/dbraw/zinc/10/75/61/514107561.db2.gz AOEHZBSLMHTJJU-GOSISDBHSA-N 1 3 368.449 2.786 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417001657 514108307 /nfs/dbraw/zinc/10/83/07/514108307.db2.gz FBNOCEDQSRVGQZ-PKOBYXMFSA-N 1 3 364.559 2.916 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417001652 514108398 /nfs/dbraw/zinc/10/83/98/514108398.db2.gz FBNOCEDQSRVGQZ-IEBWSBKVSA-N 1 3 364.559 2.916 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000420365659 514112511 /nfs/dbraw/zinc/11/25/11/514112511.db2.gz FDGHWUPPRNYXEA-YESZJQIVSA-N 1 3 356.432 2.972 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000420365659 514112517 /nfs/dbraw/zinc/11/25/17/514112517.db2.gz FDGHWUPPRNYXEA-YESZJQIVSA-N 1 3 356.432 2.972 20 0 FFADHO CCOC(=O)c1csc(C2CCN(CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420371551 514113837 /nfs/dbraw/zinc/11/38/37/514113837.db2.gz KKBDJHXLYLWOBX-CQSZACIVSA-N 1 3 351.516 2.889 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccc(Br)cc1F ZINC000420372545 514114204 /nfs/dbraw/zinc/11/42/04/514114204.db2.gz YEYMKXPSMXROMD-AWEZNQCLSA-N 1 3 372.282 2.895 20 0 FFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000420372545 514114206 /nfs/dbraw/zinc/11/42/06/514114206.db2.gz YEYMKXPSMXROMD-AWEZNQCLSA-N 1 3 372.282 2.895 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000417011987 514116997 /nfs/dbraw/zinc/11/69/97/514116997.db2.gz UTRGZFNKVKWURZ-IAGOWNOFSA-N 1 3 350.532 2.667 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423363603 514117685 /nfs/dbraw/zinc/11/76/85/514117685.db2.gz URSWIFBOGIAXJV-AWEZNQCLSA-N 1 3 369.465 2.814 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)CNC3)c1 ZINC000423363603 514117690 /nfs/dbraw/zinc/11/76/90/514117690.db2.gz URSWIFBOGIAXJV-AWEZNQCLSA-N 1 3 369.465 2.814 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417013089 514118064 /nfs/dbraw/zinc/11/80/64/514118064.db2.gz BQVVZULFBLUGQK-UHFFFAOYSA-N 1 3 370.541 2.610 20 0 FFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCN(c2ccccc2)CC1 ZINC000420383782 514118659 /nfs/dbraw/zinc/11/86/59/514118659.db2.gz ZZTPMMOKHWRWKN-VXKWHMMOSA-N 1 3 353.510 2.518 20 0 FFADHO C[N@H+](CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C1CCCCC1 ZINC000417014474 514119301 /nfs/dbraw/zinc/11/93/01/514119301.db2.gz DJYXSZQQMUREGB-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO C[N@@H+](CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C1CCCCC1 ZINC000417014474 514119305 /nfs/dbraw/zinc/11/93/05/514119305.db2.gz DJYXSZQQMUREGB-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccsc1 ZINC000417013860 514119867 /nfs/dbraw/zinc/11/98/67/514119867.db2.gz YYUXJJIHKDUJSJ-WBVHZDCISA-N 1 3 352.548 2.901 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000423370433 514120197 /nfs/dbraw/zinc/12/01/97/514120197.db2.gz DHFWLEZQSLCEOJ-FQEVSTJZSA-N 1 3 361.530 2.931 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N1CCc2ccccc2C1 ZINC000417016596 514122689 /nfs/dbraw/zinc/12/26/89/514122689.db2.gz OCOKPMUMMBBASR-ILZDJORESA-N 1 3 358.530 2.592 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417020465 514124588 /nfs/dbraw/zinc/12/45/88/514124588.db2.gz JDGAIHZYTQQSCI-RTWAWAEBSA-N 1 3 370.541 2.997 20 0 FFADHO COC[C@]1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCCN1 ZINC000423421157 514136343 /nfs/dbraw/zinc/13/63/43/514136343.db2.gz JWGHWBRDHUUAIA-DLBZAZTESA-N 1 3 353.304 2.665 20 0 FFADHO CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(C)ccc1OC ZINC000423446220 514144148 /nfs/dbraw/zinc/14/41/48/514144148.db2.gz CJUBXEMSCCOWMU-UEXGIBASSA-N 1 3 359.514 2.691 20 0 FFADHO CCCC1CCC(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000414478072 514144242 /nfs/dbraw/zinc/14/42/42/514144242.db2.gz DBDBARYUJRVEHA-UHFFFAOYSA-N 1 3 351.579 2.979 20 0 FFADHO CN1CCC(C[NH2+]Cc2cccc3ccccc32)(N2CCOCC2)CC1 ZINC000414488469 514147193 /nfs/dbraw/zinc/14/71/93/514147193.db2.gz UHAMICQUZNCSNQ-UHFFFAOYSA-N 1 3 353.510 2.726 20 0 FFADHO C[C@@H](CCc1ccccc1)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414488092 514147508 /nfs/dbraw/zinc/14/75/08/514147508.db2.gz SZQAACAIHXNAKS-FQEVSTJZSA-N 1 3 359.558 2.642 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000417088432 514163264 /nfs/dbraw/zinc/16/32/64/514163264.db2.gz KNVHUSGKCBIFDY-VQIMIIECSA-N 1 3 358.530 2.592 20 0 FFADHO CC1CC[NH+](CCC[C@H](NC[C@@H]2CNCCO2)c2ccc(F)cc2)CC1 ZINC000423541834 514165889 /nfs/dbraw/zinc/16/58/89/514165889.db2.gz AZKANTDRIFXCNT-SFTDATJTSA-N 1 3 363.521 2.957 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417108763 514171509 /nfs/dbraw/zinc/17/15/09/514171509.db2.gz JUNCVXKQQNKBTA-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000449347527 514176998 /nfs/dbraw/zinc/17/69/98/514176998.db2.gz QRKULYAJGYROCE-IBGZPJMESA-N 1 3 356.558 2.745 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000449347527 514177008 /nfs/dbraw/zinc/17/70/08/514177008.db2.gz QRKULYAJGYROCE-IBGZPJMESA-N 1 3 356.558 2.745 20 0 FFADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000432414168 514187713 /nfs/dbraw/zinc/18/77/13/514187713.db2.gz QTCOFYHMQNXFIM-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417208768 514231255 /nfs/dbraw/zinc/23/12/55/514231255.db2.gz BNYALGQBHKHQMC-WOJBJXKFSA-N 1 3 358.530 2.901 20 0 FFADHO C[N@H+](Cc1ccccc1CNC(=O)N1CCCNCC1)C1CCCCC1 ZINC000417212429 514233376 /nfs/dbraw/zinc/23/33/76/514233376.db2.gz FIZFHILSFTWJDM-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC(=O)N1CCCNCC1)C1CCCCC1 ZINC000417212429 514233383 /nfs/dbraw/zinc/23/33/83/514233383.db2.gz FIZFHILSFTWJDM-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H](CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000423845169 514259667 /nfs/dbraw/zinc/25/96/67/514259667.db2.gz JUDDOGSMBRZLQG-IRXDYDNUSA-N 1 3 358.530 2.749 20 0 FFADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000414732489 514262537 /nfs/dbraw/zinc/26/25/37/514262537.db2.gz BUPYHWLHQMYZJD-AZUAARDMSA-N 1 3 363.521 2.912 20 0 FFADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000414732489 514262541 /nfs/dbraw/zinc/26/25/41/514262541.db2.gz BUPYHWLHQMYZJD-AZUAARDMSA-N 1 3 363.521 2.912 20 0 FFADHO CC1CC[NH+](CCc2cccc(NC(=O)CNC[C@H]3CCCO3)c2)CC1 ZINC000423852767 514265108 /nfs/dbraw/zinc/26/51/08/514265108.db2.gz UDJMYZVZUFTFQA-HXUWFJFHSA-N 1 3 359.514 2.668 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291587 514278369 /nfs/dbraw/zinc/27/83/69/514278369.db2.gz AWWGACCNKHUPCK-CZUORRHYSA-N 1 3 374.451 2.982 20 0 FFADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1C(F)(F)F ZINC000414766910 514282380 /nfs/dbraw/zinc/28/23/80/514282380.db2.gz RRILLTWOKNQJSG-OAHLLOKOSA-N 1 3 357.420 2.833 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417320826 514294100 /nfs/dbraw/zinc/29/41/00/514294100.db2.gz AREMIWMQFUFXTP-JFIYKMOQSA-N 1 3 350.551 2.526 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc(Br)c2c(c1)OCCO2 ZINC000414793780 514297035 /nfs/dbraw/zinc/29/70/35/514297035.db2.gz DYIWBIJTMBFUIU-GXTWGEPZSA-N 1 3 355.276 2.827 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414814521 514306024 /nfs/dbraw/zinc/30/60/24/514306024.db2.gz NYJBAFSONGMGSE-HUUCEWRRSA-N 1 3 369.465 3.000 20 0 FFADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414821219 514309872 /nfs/dbraw/zinc/30/98/72/514309872.db2.gz KZTIGRKIOZPZKI-CVEARBPZSA-N 1 3 374.529 2.662 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000420807948 514311483 /nfs/dbraw/zinc/31/14/83/514311483.db2.gz CPSWZWSUZRNOIA-GPJFCIFZSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420848792 514333304 /nfs/dbraw/zinc/33/33/04/514333304.db2.gz SHZQKKAIWOFNCZ-CMTQZCSUSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414936249 514363725 /nfs/dbraw/zinc/36/37/25/514363725.db2.gz GRWUTXLDSPYHPL-JMSVASOKSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414936249 514363728 /nfs/dbraw/zinc/36/37/28/514363728.db2.gz GRWUTXLDSPYHPL-JMSVASOKSA-N 1 3 354.292 2.754 20 0 FFADHO CC(C)COc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414962800 514378105 /nfs/dbraw/zinc/37/81/05/514378105.db2.gz ALJMTETUAIIEFM-QGZVFWFLSA-N 1 3 359.436 2.647 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000444967212 514379267 /nfs/dbraw/zinc/37/92/67/514379267.db2.gz MTSHAOAPUDZGQK-XLIONFOSSA-N 1 3 370.541 2.823 20 0 FFADHO CCCCCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414981892 514385267 /nfs/dbraw/zinc/38/52/67/514385267.db2.gz CKIWAZJKWGSFKN-IRLDBZIGSA-N 1 3 373.541 2.992 20 0 FFADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCCN1C1CCCC1 ZINC000449847671 514387689 /nfs/dbraw/zinc/38/76/89/514387689.db2.gz GZGWSALVAOLKDJ-IBGZPJMESA-N 1 3 363.546 2.545 20 0 FFADHO O=C1CC[C@@H](NCc2cc(Cl)cc(Cl)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414992634 514391073 /nfs/dbraw/zinc/39/10/73/514391073.db2.gz RSCGWDMFJFMEEK-WBVHZDCISA-N 1 3 356.297 2.730 20 0 FFADHO C[C@@H](CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000424218125 514420292 /nfs/dbraw/zinc/42/02/92/514420292.db2.gz QSYSZAABANFEGZ-ZIBCJSCZSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]1C ZINC000417581283 514420719 /nfs/dbraw/zinc/42/07/19/514420719.db2.gz FXLRYRWHYSFGFR-XBPNIJIESA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1C ZINC000417581283 514420724 /nfs/dbraw/zinc/42/07/24/514420724.db2.gz FXLRYRWHYSFGFR-XBPNIJIESA-N 1 3 356.514 2.574 20 0 FFADHO Fc1cccc(Br)c1CNC1CCC([NH+]2CCNCC2)CC1 ZINC000415058615 514422054 /nfs/dbraw/zinc/42/20/54/514422054.db2.gz UFHIEHDAWWTKDN-UHFFFAOYSA-N 1 3 370.310 2.894 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC000417586639 514423621 /nfs/dbraw/zinc/42/36/21/514423621.db2.gz NCNPPUMUMNFMPT-DZFGPLHGSA-N 1 3 366.509 2.562 20 0 FFADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)cc1 ZINC000415103580 514445072 /nfs/dbraw/zinc/44/50/72/514445072.db2.gz CNBDIUYDSMLSQK-INIZCTEOSA-N 1 3 374.529 2.615 20 0 FFADHO CC(C)Oc1ccc(CCNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424299896 514450679 /nfs/dbraw/zinc/45/06/79/514450679.db2.gz WDGDRPKUFXKKNR-SFHVURJKSA-N 1 3 373.541 2.597 20 0 FFADHO Cc1cc(CN2CCC[C@@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000415133369 514459727 /nfs/dbraw/zinc/45/97/27/514459727.db2.gz VDKXQRHBZOAEBN-OAHLLOKOSA-N 1 3 353.392 2.901 20 0 FFADHO Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000415133369 514459731 /nfs/dbraw/zinc/45/97/31/514459731.db2.gz VDKXQRHBZOAEBN-OAHLLOKOSA-N 1 3 353.392 2.901 20 0 FFADHO Cc1cc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000415133369 514459734 /nfs/dbraw/zinc/45/97/34/514459734.db2.gz VDKXQRHBZOAEBN-OAHLLOKOSA-N 1 3 353.392 2.901 20 0 FFADHO COc1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc(OC)c1 ZINC000415134125 514460449 /nfs/dbraw/zinc/46/04/49/514460449.db2.gz NUJOWWXGDAPSBR-UHFFFAOYSA-N 1 3 369.509 2.787 20 0 FFADHO O=C1N[C@@H]2CN(Cc3cccc4ccccc43)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134801 514462127 /nfs/dbraw/zinc/46/21/27/514462127.db2.gz FAOIQVFQKRXBDD-RTWAWAEBSA-N 1 3 364.493 2.560 20 0 FFADHO COc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1OC ZINC000415138478 514463671 /nfs/dbraw/zinc/46/36/71/514463671.db2.gz VIUOAIAMEHBOKW-UHFFFAOYSA-N 1 3 369.509 2.787 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000439095259 514491945 /nfs/dbraw/zinc/49/19/45/514491945.db2.gz KBBPIDFPXGEKKX-QMMLZNLJSA-N 1 3 373.541 2.731 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@@H+]1C ZINC000465914162 514517957 /nfs/dbraw/zinc/51/79/57/514517957.db2.gz ADDYIGRQXOLGFG-IAGOWNOFSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@H+]1C ZINC000465914162 514517960 /nfs/dbraw/zinc/51/79/60/514517960.db2.gz ADDYIGRQXOLGFG-IAGOWNOFSA-N 1 3 368.591 2.520 20 0 FFADHO CC[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000455440888 514523522 /nfs/dbraw/zinc/52/35/22/514523522.db2.gz CQLOOPTZVXLQCY-ASJDWODUSA-N 1 3 370.541 2.748 20 0 FFADHO CC[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000455440888 514523524 /nfs/dbraw/zinc/52/35/24/514523524.db2.gz CQLOOPTZVXLQCY-ASJDWODUSA-N 1 3 370.541 2.748 20 0 FFADHO C[C@@H](Cc1cnccn1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000453072390 514535607 /nfs/dbraw/zinc/53/56/07/514535607.db2.gz XWHZCJWDYJMYPU-FQEVSTJZSA-N 1 3 367.541 2.595 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)N(C)C)cc1 ZINC000458058446 514549059 /nfs/dbraw/zinc/54/90/59/514549059.db2.gz ZPCDZYLJKGKIGQ-FPOVZHCZSA-N 1 3 358.530 2.725 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)N(C)C)cc1 ZINC000458058446 514549064 /nfs/dbraw/zinc/54/90/64/514549064.db2.gz ZPCDZYLJKGKIGQ-FPOVZHCZSA-N 1 3 358.530 2.725 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cc(C)nc1C ZINC000455483016 514550580 /nfs/dbraw/zinc/55/05/80/514550580.db2.gz IUKAIAGVDHBMOY-GOSISDBHSA-N 1 3 361.534 2.887 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cc(C)nc1C ZINC000455483016 514550582 /nfs/dbraw/zinc/55/05/82/514550582.db2.gz IUKAIAGVDHBMOY-GOSISDBHSA-N 1 3 361.534 2.887 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cnc2ccccc2c1 ZINC000439475232 514560503 /nfs/dbraw/zinc/56/05/03/514560503.db2.gz YSYVPALFSXTGKV-HXUWFJFHSA-N 1 3 368.525 2.652 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cnc2ccccc2c1 ZINC000439475232 514560505 /nfs/dbraw/zinc/56/05/05/514560505.db2.gz YSYVPALFSXTGKV-HXUWFJFHSA-N 1 3 368.525 2.652 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475161282 514575908 /nfs/dbraw/zinc/57/59/08/514575908.db2.gz FVHLDTJMEFIMQR-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475161282 514575916 /nfs/dbraw/zinc/57/59/16/514575916.db2.gz FVHLDTJMEFIMQR-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000466440920 514647208 /nfs/dbraw/zinc/64/72/08/514647208.db2.gz KHWQEOQJTIKJLK-UTKZUKDTSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000497835249 514653187 /nfs/dbraw/zinc/65/31/87/514653187.db2.gz DZOQEEJUSGRGFT-QRFRQXIXSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000497835249 514653196 /nfs/dbraw/zinc/65/31/96/514653196.db2.gz DZOQEEJUSGRGFT-QRFRQXIXSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(OCCN(C)C)cc1 ZINC000484467581 514661338 /nfs/dbraw/zinc/66/13/38/514661338.db2.gz ARLYQEIVKHMYJX-QFBILLFUSA-N 1 3 351.560 2.715 20 0 FFADHO C[C@@H](CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000466542057 514682595 /nfs/dbraw/zinc/68/25/95/514682595.db2.gz LSAQEYBGTMVIFS-UWVAXJGDSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H](CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000466542057 514682605 /nfs/dbraw/zinc/68/26/05/514682605.db2.gz LSAQEYBGTMVIFS-UWVAXJGDSA-N 1 3 358.530 2.679 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000461656590 514685904 /nfs/dbraw/zinc/68/59/04/514685904.db2.gz BLTOJEBJZSTTII-QKLQHJQFSA-N 1 3 374.529 2.566 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000461656590 514685913 /nfs/dbraw/zinc/68/59/13/514685913.db2.gz BLTOJEBJZSTTII-QKLQHJQFSA-N 1 3 374.529 2.566 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)N(C)C)cc1 ZINC000458302374 514697556 /nfs/dbraw/zinc/69/75/56/514697556.db2.gz YQLCTLQSRWPRJB-KSSFIOAISA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000458302374 514697568 /nfs/dbraw/zinc/69/75/68/514697568.db2.gz YQLCTLQSRWPRJB-KSSFIOAISA-N 1 3 364.559 2.793 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000508423813 514776290 /nfs/dbraw/zinc/77/62/90/514776290.db2.gz MNMRMGFPKPFDDB-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000498194367 514796214 /nfs/dbraw/zinc/79/62/14/514796214.db2.gz DVUDEXMNUPBTNR-VBQJREDUSA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000498194367 514796224 /nfs/dbraw/zinc/79/62/24/514796224.db2.gz DVUDEXMNUPBTNR-VBQJREDUSA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000502861513 514815845 /nfs/dbraw/zinc/81/58/45/514815845.db2.gz LELWAJVBOBJGLE-CTNGQTDRSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000502861513 514815851 /nfs/dbraw/zinc/81/58/51/514815851.db2.gz LELWAJVBOBJGLE-CTNGQTDRSA-N 1 3 374.573 2.971 20 0 FFADHO CC[N@H+](C)CCNC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000475903325 514849093 /nfs/dbraw/zinc/84/90/93/514849093.db2.gz VUNVWQQSQANACR-IBGZPJMESA-N 1 3 360.546 2.710 20 0 FFADHO CC[N@@H+](C)CCNC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000475903325 514849106 /nfs/dbraw/zinc/84/91/06/514849106.db2.gz VUNVWQQSQANACR-IBGZPJMESA-N 1 3 360.546 2.710 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)C1 ZINC000489474454 514859405 /nfs/dbraw/zinc/85/94/05/514859405.db2.gz KQZMAVQSELCLGO-ABSDTBQOSA-N 1 3 362.562 2.765 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000458528101 514873277 /nfs/dbraw/zinc/87/32/77/514873277.db2.gz WBPJCGMIMWJYKV-IBGZPJMESA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000503014137 514880168 /nfs/dbraw/zinc/88/01/68/514880168.db2.gz ZXIADOBBWSHYMW-LBFURVHYSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503014137 514880177 /nfs/dbraw/zinc/88/01/77/514880177.db2.gz ZXIADOBBWSHYMW-LBFURVHYSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NC(C)(C)CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000458592497 514933579 /nfs/dbraw/zinc/93/35/79/514933579.db2.gz MMYCEKXSGQKTAC-HKUYNNGSSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NC(C)(C)CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000458592497 514933584 /nfs/dbraw/zinc/93/35/84/514933584.db2.gz MMYCEKXSGQKTAC-HKUYNNGSSA-N 1 3 360.546 2.927 20 0 FFADHO CCN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@@H](C)C1 ZINC000467410134 514999120 /nfs/dbraw/zinc/99/91/20/514999120.db2.gz DPYHJHGKKGPUSN-YJBOKZPZSA-N 1 3 351.922 2.997 20 0 FFADHO C[C@H](NC(=O)N1CCN(C)CC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498704601 515032762 /nfs/dbraw/zinc/03/27/62/515032762.db2.gz BBTVXPUQEFEKRB-WSTZPKSXSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCN(C)CC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498704601 515032770 /nfs/dbraw/zinc/03/27/70/515032770.db2.gz BBTVXPUQEFEKRB-WSTZPKSXSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000489939654 515041271 /nfs/dbraw/zinc/04/12/71/515041271.db2.gz ROMTWKQSKNXECE-YYWHXJBOSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000489939654 515041277 /nfs/dbraw/zinc/04/12/77/515041277.db2.gz ROMTWKQSKNXECE-YYWHXJBOSA-N 1 3 370.541 2.948 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[NH+]1CCCC1 ZINC000476493012 515070468 /nfs/dbraw/zinc/07/04/68/515070468.db2.gz RNBXOFKVXCMIPH-OALUTQOASA-N 1 3 350.551 2.765 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000476509643 515078537 /nfs/dbraw/zinc/07/85/37/515078537.db2.gz LOGCJHAOJSWACO-INIZCTEOSA-N 1 3 353.551 2.693 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000458773762 515080461 /nfs/dbraw/zinc/08/04/61/515080461.db2.gz PTMUTKZOLFKZAT-CVEARBPZSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000503557824 515080484 /nfs/dbraw/zinc/08/04/84/515080484.db2.gz LWZBPJFSCZPLJP-FPOVZHCZSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000462517460 515102500 /nfs/dbraw/zinc/10/25/00/515102500.db2.gz PQKBDOAWXXSQHL-QWFCFKBJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000462517460 515102509 /nfs/dbraw/zinc/10/25/09/515102509.db2.gz PQKBDOAWXXSQHL-QWFCFKBJSA-N 1 3 358.530 2.538 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467753154 515103714 /nfs/dbraw/zinc/10/37/14/515103714.db2.gz JDOGCLXUSADAJQ-MJGOQNOKSA-N 1 3 363.571 2.841 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000476650815 515142480 /nfs/dbraw/zinc/14/24/80/515142480.db2.gz CHSHLTFIKZCUJY-WOJBJXKFSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472229810 515177874 /nfs/dbraw/zinc/17/78/74/515177874.db2.gz CMUVYQVDGRMLDG-WOJBJXKFSA-N 1 3 372.557 2.928 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472229810 515177883 /nfs/dbraw/zinc/17/78/83/515177883.db2.gz CMUVYQVDGRMLDG-WOJBJXKFSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000458938956 515215394 /nfs/dbraw/zinc/21/53/94/515215394.db2.gz PLRYAJVEFMLOEQ-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC1(C)CCCN(CCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000472387392 515255532 /nfs/dbraw/zinc/25/55/32/515255532.db2.gz WSOJFTKMGVHMLE-FQEVSTJZSA-N 1 3 372.557 2.930 20 0 FFADHO CC1(C)CCCN(CCNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000472387392 515255541 /nfs/dbraw/zinc/25/55/41/515255541.db2.gz WSOJFTKMGVHMLE-FQEVSTJZSA-N 1 3 372.557 2.930 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504339585 515279465 /nfs/dbraw/zinc/27/94/65/515279465.db2.gz VBFATNRDZUCXGR-WOJBJXKFSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504339585 515279472 /nfs/dbraw/zinc/27/94/72/515279472.db2.gz VBFATNRDZUCXGR-WOJBJXKFSA-N 1 3 356.514 2.577 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[N@H+](C)C2CC2)c2cccs2)CC1 ZINC000490891653 515327810 /nfs/dbraw/zinc/32/78/10/515327810.db2.gz WEICONJKUYKKTD-KRWDZBQOSA-N 1 3 364.559 2.915 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)c2cccs2)CC1 ZINC000490891653 515327819 /nfs/dbraw/zinc/32/78/19/515327819.db2.gz WEICONJKUYKKTD-KRWDZBQOSA-N 1 3 364.559 2.915 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000463016665 515334672 /nfs/dbraw/zinc/33/46/72/515334672.db2.gz UYGALHCZDSTRPW-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-n2cccc2)cc1 ZINC000499522834 515356917 /nfs/dbraw/zinc/35/69/17/515356917.db2.gz XHCVGEQMPPIRGR-NRFANRHFSA-N 1 3 368.525 2.965 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-n2cccc2)cc1 ZINC000499522834 515356926 /nfs/dbraw/zinc/35/69/26/515356926.db2.gz XHCVGEQMPPIRGR-NRFANRHFSA-N 1 3 368.525 2.965 20 0 FFADHO CC(C)[C@@H](CSc1ccccc1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491059148 515368142 /nfs/dbraw/zinc/36/81/42/515368142.db2.gz JPZNATYROIZZIG-IEBWSBKVSA-N 1 3 363.571 2.980 20 0 FFADHO CC(C)[C@@H](CSc1ccccc1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491059148 515368153 /nfs/dbraw/zinc/36/81/53/515368153.db2.gz JPZNATYROIZZIG-IEBWSBKVSA-N 1 3 363.571 2.980 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000463147258 515381089 /nfs/dbraw/zinc/38/10/89/515381089.db2.gz PYCQEZBPTPKUTO-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000477267370 515392439 /nfs/dbraw/zinc/39/24/39/515392439.db2.gz SCBZWOSFEFUKNX-AEFFLSMTSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000477267370 515392449 /nfs/dbraw/zinc/39/24/49/515392449.db2.gz SCBZWOSFEFUKNX-AEFFLSMTSA-N 1 3 350.551 2.765 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000504896877 515405469 /nfs/dbraw/zinc/40/54/69/515405469.db2.gz VETMTDSCDBBLOL-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481703543 515431215 /nfs/dbraw/zinc/43/12/15/515431215.db2.gz LJDKWQHKGOIUQG-LPHOPBHVSA-N 1 3 370.607 2.624 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481703543 515431223 /nfs/dbraw/zinc/43/12/23/515431223.db2.gz LJDKWQHKGOIUQG-LPHOPBHVSA-N 1 3 370.607 2.624 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000472978860 515466247 /nfs/dbraw/zinc/46/62/47/515466247.db2.gz OTXHYKREXYIWEO-UHFFFAOYSA-N 1 3 372.557 2.533 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000468711777 515481718 /nfs/dbraw/zinc/48/17/18/515481718.db2.gz REVHTGXUCYTOOE-QZTJIDSGSA-N 1 3 355.526 2.909 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000468711777 515481727 /nfs/dbraw/zinc/48/17/27/515481727.db2.gz REVHTGXUCYTOOE-QZTJIDSGSA-N 1 3 355.526 2.909 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000510384222 515523317 /nfs/dbraw/zinc/52/33/17/515523317.db2.gz JIFFXQRRMALKOV-RTBURBONSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000510384222 515523322 /nfs/dbraw/zinc/52/33/22/515523322.db2.gz JIFFXQRRMALKOV-RTBURBONSA-N 1 3 372.557 2.679 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N(C)C ZINC000454486018 515524447 /nfs/dbraw/zinc/52/44/47/515524447.db2.gz PITWENRREIZRPU-IBGZPJMESA-N 1 3 374.573 2.971 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000510526069 515569901 /nfs/dbraw/zinc/56/99/01/515569901.db2.gz OPWCNTFFLUQAOW-OXJNMPFZSA-N 1 3 358.530 2.801 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000510526069 515569909 /nfs/dbraw/zinc/56/99/09/515569909.db2.gz OPWCNTFFLUQAOW-OXJNMPFZSA-N 1 3 358.530 2.801 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000468901995 515575191 /nfs/dbraw/zinc/57/51/91/515575191.db2.gz JBDJBNXINFGJBI-ICSRJNTNSA-N 1 3 373.541 2.600 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000468901995 515575200 /nfs/dbraw/zinc/57/52/00/515575200.db2.gz JBDJBNXINFGJBI-ICSRJNTNSA-N 1 3 373.541 2.600 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000454563141 515577563 /nfs/dbraw/zinc/57/75/63/515577563.db2.gz ZKVINWMRKNPOPI-QUCCMNQESA-N 1 3 356.514 2.883 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000505551702 515582646 /nfs/dbraw/zinc/58/26/46/515582646.db2.gz WXPJWWTVMCVQNO-UNMCSNQZSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000505551702 515582651 /nfs/dbraw/zinc/58/26/51/515582651.db2.gz WXPJWWTVMCVQNO-UNMCSNQZSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000505689576 515634873 /nfs/dbraw/zinc/63/48/73/515634873.db2.gz XVEJTIVTWPYRKF-SIKLNZKXSA-N 1 3 373.516 2.982 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000505689576 515634884 /nfs/dbraw/zinc/63/48/84/515634884.db2.gz XVEJTIVTWPYRKF-SIKLNZKXSA-N 1 3 373.516 2.982 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000510779108 515667343 /nfs/dbraw/zinc/66/73/43/515667343.db2.gz JUPFJAWWUOEVPV-SJORKVTESA-N 1 3 362.518 2.869 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000510779108 515667348 /nfs/dbraw/zinc/66/73/48/515667348.db2.gz JUPFJAWWUOEVPV-SJORKVTESA-N 1 3 362.518 2.869 20 0 FFADHO c1ccc2c(c1)CC[C@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CO2 ZINC000493824674 515667990 /nfs/dbraw/zinc/66/79/90/515667990.db2.gz TZQJASBXOVVIGZ-FQEVSTJZSA-N 1 3 366.509 2.577 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccc(F)c1F ZINC000505778402 515668611 /nfs/dbraw/zinc/66/86/11/515668611.db2.gz MGZKLXMPQXCNSN-QGZVFWFLSA-N 1 3 367.484 2.772 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccc(F)c1F ZINC000505778402 515668621 /nfs/dbraw/zinc/66/86/21/515668621.db2.gz MGZKLXMPQXCNSN-QGZVFWFLSA-N 1 3 367.484 2.772 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)CC3CC[NH+](C)CC3)c2)CC1 ZINC000486894448 515674597 /nfs/dbraw/zinc/67/45/97/515674597.db2.gz MQQASXMEKOTPFW-UHFFFAOYSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000482494301 515694803 /nfs/dbraw/zinc/69/48/03/515694803.db2.gz JEOOKAIFCPGWMS-HOTGVXAUSA-N 1 3 367.509 2.767 20 0 FFADHO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000500422990 515703349 /nfs/dbraw/zinc/70/33/49/515703349.db2.gz JZQQLJSPEYENTL-QKLQHJQFSA-N 1 3 359.514 2.821 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506017641 515752525 /nfs/dbraw/zinc/75/25/25/515752525.db2.gz SXGFPHWFMSHCKE-ROUUACIJSA-N 1 3 365.468 2.744 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506017641 515752535 /nfs/dbraw/zinc/75/25/35/515752535.db2.gz SXGFPHWFMSHCKE-ROUUACIJSA-N 1 3 365.468 2.744 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)C ZINC000482680846 515768281 /nfs/dbraw/zinc/76/82/81/515768281.db2.gz ZWYICEUVJNBBOW-DMUMMCEESA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N(C)C ZINC000482680846 515768288 /nfs/dbraw/zinc/76/82/88/515768288.db2.gz ZWYICEUVJNBBOW-DMUMMCEESA-N 1 3 358.530 2.912 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNCc2cn3ccc(Br)cc3n2)C1 ZINC000459724258 515771725 /nfs/dbraw/zinc/77/17/25/515771725.db2.gz AKNKUBMMLOFFCC-CYBMUJFWSA-N 1 3 351.292 2.918 20 0 FFADHO C[N@H+]1CCC[C@H](CCNCc2cn3ccc(Br)cc3n2)C1 ZINC000459724258 515771735 /nfs/dbraw/zinc/77/17/35/515771735.db2.gz AKNKUBMMLOFFCC-CYBMUJFWSA-N 1 3 351.292 2.918 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000469344857 515777906 /nfs/dbraw/zinc/77/79/06/515777906.db2.gz QNVRUOMOJIIWHT-OALUTQOASA-N 1 3 372.557 2.821 20 0 FFADHO CC[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000473893123 515791868 /nfs/dbraw/zinc/79/18/68/515791868.db2.gz DRKKZZSQHLXJLY-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000473893123 515791877 /nfs/dbraw/zinc/79/18/77/515791877.db2.gz DRKKZZSQHLXJLY-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000487248567 515810942 /nfs/dbraw/zinc/81/09/42/515810942.db2.gz PIIKYVGJNRAYIU-SFHVURJKSA-N 1 3 358.530 2.626 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000487248567 515810950 /nfs/dbraw/zinc/81/09/50/515810950.db2.gz PIIKYVGJNRAYIU-SFHVURJKSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478412070 515811363 /nfs/dbraw/zinc/81/13/63/515811363.db2.gz BTIIBOUKASZGBD-QUCCMNQESA-N 1 3 372.557 2.928 20 0 FFADHO O=C(NC1CC([NH+]2CCCCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000473966593 515824927 /nfs/dbraw/zinc/82/49/27/515824927.db2.gz CPVJHKGRBIIZOZ-UHFFFAOYSA-N 1 3 370.541 2.967 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[NH+](C3CCCC3)CC2)CC1 ZINC000506338560 515853189 /nfs/dbraw/zinc/85/31/89/515853189.db2.gz BGPITCKBLMYRRS-UHFFFAOYSA-N 1 3 356.558 2.889 20 0 FFADHO C[C@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000487534141 515894962 /nfs/dbraw/zinc/89/49/62/515894962.db2.gz HEDWEQGJAZOOPI-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000487534141 515894975 /nfs/dbraw/zinc/89/49/75/515894975.db2.gz HEDWEQGJAZOOPI-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487544497 515898929 /nfs/dbraw/zinc/89/89/29/515898929.db2.gz WZIOQZIVHOIEAK-ONCXSQPRSA-N 1 3 358.530 2.661 20 0 FFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487544497 515898939 /nfs/dbraw/zinc/89/89/39/515898939.db2.gz WZIOQZIVHOIEAK-ONCXSQPRSA-N 1 3 358.530 2.661 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511521948 515933116 /nfs/dbraw/zinc/93/31/16/515933116.db2.gz RADYQWDPLUWPBW-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511521948 515933126 /nfs/dbraw/zinc/93/31/26/515933126.db2.gz RADYQWDPLUWPBW-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)COc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469868160 516006848 /nfs/dbraw/zinc/00/68/48/516006848.db2.gz YAZQWVZDQDXJNZ-CTNGQTDRSA-N 1 3 373.541 2.802 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000487933282 516039366 /nfs/dbraw/zinc/03/93/66/516039366.db2.gz IODBZKNNPNIPSO-LNLFQRSKSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000487933282 516039376 /nfs/dbraw/zinc/03/93/76/516039376.db2.gz IODBZKNNPNIPSO-LNLFQRSKSA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000457704323 516082395 /nfs/dbraw/zinc/08/23/95/516082395.db2.gz XSIMQBVRXNJYSA-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000457704323 516082407 /nfs/dbraw/zinc/08/24/07/516082407.db2.gz XSIMQBVRXNJYSA-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)N(C)C)cc1 ZINC000479185753 516095793 /nfs/dbraw/zinc/09/57/93/516095793.db2.gz INVTXMCXTOWZMA-WOJBJXKFSA-N 1 3 357.473 2.850 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000457727456 516100635 /nfs/dbraw/zinc/10/06/35/516100635.db2.gz BLQGLWGYTBEEOR-WOJBJXKFSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000457727456 516100648 /nfs/dbraw/zinc/10/06/48/516100648.db2.gz BLQGLWGYTBEEOR-WOJBJXKFSA-N 1 3 358.530 2.948 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000460286070 516101495 /nfs/dbraw/zinc/10/14/95/516101495.db2.gz CGMQIQJEBKHYQC-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO [NH3+]C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000479205425 516105987 /nfs/dbraw/zinc/10/59/87/516105987.db2.gz DSJGPEFNWVBFHV-FQEVSTJZSA-N 1 3 355.457 2.649 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457743888 516115516 /nfs/dbraw/zinc/11/55/16/516115516.db2.gz REYHMVGZTRIFQJ-AZUAARDMSA-N 1 3 350.551 2.626 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457743888 516115523 /nfs/dbraw/zinc/11/55/23/516115523.db2.gz REYHMVGZTRIFQJ-AZUAARDMSA-N 1 3 350.551 2.626 20 0 FFADHO CCN(CCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000460346813 516124151 /nfs/dbraw/zinc/12/41/51/516124151.db2.gz HZQPSZVFKXVEQL-UXHICEINSA-N 1 3 370.541 2.634 20 0 FFADHO CCN(CCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000460346813 516124159 /nfs/dbraw/zinc/12/41/59/516124159.db2.gz HZQPSZVFKXVEQL-UXHICEINSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501498707 516126680 /nfs/dbraw/zinc/12/66/80/516126680.db2.gz AJPAOFCAFGZFFA-MOPGFXCFSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501498707 516126684 /nfs/dbraw/zinc/12/66/84/516126684.db2.gz AJPAOFCAFGZFFA-MOPGFXCFSA-N 1 3 372.557 2.854 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@]2(CCN(C)C2)C1)[NH+]1CCCC1 ZINC000488156722 516137345 /nfs/dbraw/zinc/13/73/45/516137345.db2.gz BTXPMHOEKGCKGR-ICSRJNTNSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000501544208 516148558 /nfs/dbraw/zinc/14/85/58/516148558.db2.gz CKOYQYPPOZPFNJ-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000501544208 516148565 /nfs/dbraw/zinc/14/85/65/516148565.db2.gz CKOYQYPPOZPFNJ-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(Cl)c1 ZINC000465449192 516156907 /nfs/dbraw/zinc/15/69/07/516156907.db2.gz QUESKFPOANGJKA-GOSISDBHSA-N 1 3 366.937 2.898 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(Cl)c1 ZINC000465449192 516156914 /nfs/dbraw/zinc/15/69/14/516156914.db2.gz QUESKFPOANGJKA-GOSISDBHSA-N 1 3 366.937 2.898 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000465535036 516184145 /nfs/dbraw/zinc/18/41/45/516184145.db2.gz VRNFOAKTSVEKKL-MSOLQXFVSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000465535036 516184153 /nfs/dbraw/zinc/18/41/53/516184153.db2.gz VRNFOAKTSVEKKL-MSOLQXFVSA-N 1 3 372.557 2.505 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)s1 ZINC000465556915 516194755 /nfs/dbraw/zinc/19/47/55/516194755.db2.gz WAXXUQQRGDXDJB-MRXNPFEDSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)s1 ZINC000465556915 516194763 /nfs/dbraw/zinc/19/47/63/516194763.db2.gz WAXXUQQRGDXDJB-MRXNPFEDSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1)C1CC1 ZINC000495713630 516204449 /nfs/dbraw/zinc/20/44/49/516204449.db2.gz RTLMVZFWZMFRGQ-MOPGFXCFSA-N 1 3 361.555 2.789 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1)C1CC1 ZINC000495713630 516204453 /nfs/dbraw/zinc/20/44/53/516204453.db2.gz RTLMVZFWZMFRGQ-MOPGFXCFSA-N 1 3 361.555 2.789 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000465586105 516204937 /nfs/dbraw/zinc/20/49/37/516204937.db2.gz XVRRFBDQGNGPST-UHFFFAOYSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)C1 ZINC000488361507 516205109 /nfs/dbraw/zinc/20/51/09/516205109.db2.gz BIGNGMRUQHCUMN-LZLYRXPVSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465629899 516215016 /nfs/dbraw/zinc/21/50/16/516215016.db2.gz JPYSDBCAULLZRU-SFHVURJKSA-N 1 3 372.557 2.649 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465629899 516215025 /nfs/dbraw/zinc/21/50/25/516215025.db2.gz JPYSDBCAULLZRU-SFHVURJKSA-N 1 3 372.557 2.649 20 0 FFADHO CC(C)[C@@H]1N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CCC2 ZINC000488502689 516242257 /nfs/dbraw/zinc/24/22/57/516242257.db2.gz NAHAKXZZEZFXQH-IBGZPJMESA-N 1 3 362.562 2.765 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccco1 ZINC000496649547 516273935 /nfs/dbraw/zinc/27/39/35/516273935.db2.gz IWOXJEDBKWZPAV-YESZJQIVSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccco1 ZINC000496649547 516273941 /nfs/dbraw/zinc/27/39/41/516273941.db2.gz IWOXJEDBKWZPAV-YESZJQIVSA-N 1 3 350.507 2.882 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465887899 516280901 /nfs/dbraw/zinc/28/09/01/516280901.db2.gz BXXYWFHZCDCFGF-SFHVURJKSA-N 1 3 372.557 2.505 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465887899 516280904 /nfs/dbraw/zinc/28/09/04/516280904.db2.gz BXXYWFHZCDCFGF-SFHVURJKSA-N 1 3 372.557 2.505 20 0 FFADHO Cn1c2ccc(C[N@H+](C)CC3CCN(c4ccncc4)CC3)cc2oc1=O ZINC000512449612 516283496 /nfs/dbraw/zinc/28/34/96/516283496.db2.gz JCXQFEZQXSNSOM-UHFFFAOYSA-N 1 3 366.465 2.875 20 0 FFADHO Cn1c2ccc(C[N@@H+](C)CC3CCN(c4ccncc4)CC3)cc2oc1=O ZINC000512449612 516283500 /nfs/dbraw/zinc/28/35/00/516283500.db2.gz JCXQFEZQXSNSOM-UHFFFAOYSA-N 1 3 366.465 2.875 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000502102164 516304375 /nfs/dbraw/zinc/30/43/75/516304375.db2.gz YONYZHHHXQTIGJ-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000497563631 516326703 /nfs/dbraw/zinc/32/67/03/516326703.db2.gz CSBVHLNXPBIOPZ-HXUWFJFHSA-N 1 3 362.562 2.911 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000535396037 516338006 /nfs/dbraw/zinc/33/80/06/516338006.db2.gz WDJYLOFNGVXCRC-QHAWAJNXSA-N 1 3 370.541 2.805 20 0 FFADHO C[C@H](NC(=O)[C@H](CN)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000517563104 516365843 /nfs/dbraw/zinc/36/58/43/516365843.db2.gz HZUISLYXORTODP-LDQXTDLNSA-N 1 3 369.484 2.895 20 0 FFADHO C[C@H](NC(=O)[C@H](CN)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517563104 516365852 /nfs/dbraw/zinc/36/58/52/516365852.db2.gz HZUISLYXORTODP-LDQXTDLNSA-N 1 3 369.484 2.895 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000523002992 516371225 /nfs/dbraw/zinc/37/12/25/516371225.db2.gz COWZTHOHOXPUFB-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000512849989 516385401 /nfs/dbraw/zinc/38/54/01/516385401.db2.gz QXGYJKGNPDMECD-KGLIPLIRSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000512849989 516385409 /nfs/dbraw/zinc/38/54/09/516385409.db2.gz QXGYJKGNPDMECD-KGLIPLIRSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000512849989 516385420 /nfs/dbraw/zinc/38/54/20/516385420.db2.gz QXGYJKGNPDMECD-KGLIPLIRSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C1CC1 ZINC000523209207 516409607 /nfs/dbraw/zinc/40/96/07/516409607.db2.gz ARQUOYPENVPHAS-HXUWFJFHSA-N 1 3 358.530 2.915 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C1CC1 ZINC000523209207 516409616 /nfs/dbraw/zinc/40/96/16/516409616.db2.gz ARQUOYPENVPHAS-HXUWFJFHSA-N 1 3 358.530 2.915 20 0 FFADHO C[C@]1(CNC(=O)NCC2CCN(Cc3cccs3)CC2)CCC[NH2+]C1 ZINC000561151537 516409980 /nfs/dbraw/zinc/40/99/80/516409980.db2.gz XSBXWTRMYFEVMO-IBGZPJMESA-N 1 3 364.559 2.649 20 0 FFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357284 516426418 /nfs/dbraw/zinc/42/64/18/516426418.db2.gz SYYIYQDGRROKIS-HNNXBMFYSA-N 1 3 373.463 2.836 20 0 FFADHO O=C(NCCCNCc1cccnc1)c1ccccc1CC1CC[NH2+]CC1 ZINC000561181308 516432144 /nfs/dbraw/zinc/43/21/44/516432144.db2.gz BALZGUWMTVVRNS-UHFFFAOYSA-N 1 3 366.509 2.533 20 0 FFADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531429618 516461039 /nfs/dbraw/zinc/46/10/39/516461039.db2.gz JGNKNPCULFKYHZ-DNVCBOLYSA-N 1 3 364.509 2.584 20 0 FFADHO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550883297 516465944 /nfs/dbraw/zinc/46/59/44/516465944.db2.gz YEMBMNWOYQICGJ-CTNGQTDRSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@H](Cn1cccn1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883297 516465953 /nfs/dbraw/zinc/46/59/53/516465953.db2.gz YEMBMNWOYQICGJ-CTNGQTDRSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@H](Cn1cccn1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883297 516465960 /nfs/dbraw/zinc/46/59/60/516465960.db2.gz YEMBMNWOYQICGJ-CTNGQTDRSA-N 1 3 368.525 2.790 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1)C1CC1 ZINC000517868585 516471892 /nfs/dbraw/zinc/47/18/92/516471892.db2.gz ZZZGJPCRJZMQIE-NRFANRHFSA-N 1 3 373.541 2.854 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1)C1CC1 ZINC000517868585 516471904 /nfs/dbraw/zinc/47/19/04/516471904.db2.gz ZZZGJPCRJZMQIE-NRFANRHFSA-N 1 3 373.541 2.854 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCN1C ZINC000557923625 516506962 /nfs/dbraw/zinc/50/69/62/516506962.db2.gz SJUAKCXLKMOVGO-SYYKKAFVSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCN1C ZINC000557923625 516506969 /nfs/dbraw/zinc/50/69/69/516506969.db2.gz SJUAKCXLKMOVGO-SYYKKAFVSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000531535729 516513173 /nfs/dbraw/zinc/51/31/73/516513173.db2.gz XSQNLOFJKSPWTK-QZTJIDSGSA-N 1 3 367.578 2.893 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCN3CCC2CC3)[NH+](C)C)cc1 ZINC000513388749 516599305 /nfs/dbraw/zinc/59/93/05/516599305.db2.gz GCPBITJBRXFOAQ-OAQYLSRUSA-N 1 3 372.557 2.977 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000523876567 516600388 /nfs/dbraw/zinc/60/03/88/516600388.db2.gz LYIITBIDCGQGFO-DLBZAZTESA-N 1 3 366.575 2.990 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1 ZINC000547949866 516651691 /nfs/dbraw/zinc/65/16/91/516651691.db2.gz JNOWJXHTJXTMJL-QAPCUYQASA-N 1 3 365.468 2.948 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1 ZINC000547949866 516651698 /nfs/dbraw/zinc/65/16/98/516651698.db2.gz JNOWJXHTJXTMJL-QAPCUYQASA-N 1 3 365.468 2.948 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000518469937 516672339 /nfs/dbraw/zinc/67/23/39/516672339.db2.gz PNSWZBDCYFNTJM-IBGZPJMESA-N 1 3 358.530 2.530 20 0 FFADHO C[C@]1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCCN1Cc1ccccc1 ZINC000518735631 516756543 /nfs/dbraw/zinc/75/65/43/516756543.db2.gz PQIGBVLAHFXWCN-BPBCIEFSSA-N 1 3 370.541 2.810 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000555077215 516770235 /nfs/dbraw/zinc/77/02/35/516770235.db2.gz VUGPJZPBCIPAOJ-OKZBNKHCSA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000555077215 516770242 /nfs/dbraw/zinc/77/02/42/516770242.db2.gz VUGPJZPBCIPAOJ-OKZBNKHCSA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000524935254 516871479 /nfs/dbraw/zinc/87/14/79/516871479.db2.gz YZDJBDSOVIBUNI-UXHICEINSA-N 1 3 360.546 2.848 20 0 FFADHO C[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000514150223 516882728 /nfs/dbraw/zinc/88/27/28/516882728.db2.gz YYMLGRQMMDAGJJ-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000514150223 516882739 /nfs/dbraw/zinc/88/27/39/516882739.db2.gz YYMLGRQMMDAGJJ-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N2CCCC2)cc1 ZINC000529297405 517060717 /nfs/dbraw/zinc/06/07/17/517060717.db2.gz DXTZTYJXTPCRPS-MOPGFXCFSA-N 1 3 356.514 2.716 20 0 FFADHO C[C@@]1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCN1Cc1ccccc1 ZINC000529319774 517076270 /nfs/dbraw/zinc/07/62/70/517076270.db2.gz IDFKTMPYZBACHE-QUCCMNQESA-N 1 3 356.514 2.625 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000519647989 517102486 /nfs/dbraw/zinc/10/24/86/517102486.db2.gz NDOQIQRHLUVTME-UHFFFAOYSA-N 1 3 371.525 2.861 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000545205182 517102879 /nfs/dbraw/zinc/10/28/79/517102879.db2.gz QSBCZOBXISWITJ-QZTJIDSGSA-N 1 3 367.578 2.750 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000541572336 517118094 /nfs/dbraw/zinc/11/80/94/517118094.db2.gz FOYYGDSPDCVERP-BRWVUGGUSA-N 1 3 353.551 2.501 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(CSC)s1 ZINC000552243214 517158128 /nfs/dbraw/zinc/15/81/28/517158128.db2.gz ROCVDPFIRAZKGR-HNNXBMFYSA-N 1 3 356.605 2.854 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769401 517207286 /nfs/dbraw/zinc/20/72/86/517207286.db2.gz HVKFSSKRFLQXAQ-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000515221357 517260891 /nfs/dbraw/zinc/26/08/91/517260891.db2.gz YFOVWWLFLDCBNT-JBACZVJFSA-N 1 3 370.541 2.728 20 0 FFADHO CC(C)c1ccccc1OC[C@@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000515234534 517265148 /nfs/dbraw/zinc/26/51/48/517265148.db2.gz JFGVOJKISBXXMS-OALUTQOASA-N 1 3 364.530 2.640 20 0 FFADHO CC(C)c1ccccc1OC[C@@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000515234534 517265159 /nfs/dbraw/zinc/26/51/59/517265159.db2.gz JFGVOJKISBXXMS-OALUTQOASA-N 1 3 364.530 2.640 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000520201442 517298250 /nfs/dbraw/zinc/29/82/50/517298250.db2.gz OJQOYGKONKYHDT-KURKYZTESA-N 1 3 352.567 2.869 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000529716797 517308147 /nfs/dbraw/zinc/30/81/47/517308147.db2.gz DVJZTFIQYJBSCD-CTNGQTDRSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000529716797 517308161 /nfs/dbraw/zinc/30/81/61/517308161.db2.gz DVJZTFIQYJBSCD-CTNGQTDRSA-N 1 3 370.541 2.817 20 0 FFADHO Cn1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(-c2ccccc2)n1 ZINC000562751450 517367740 /nfs/dbraw/zinc/36/77/40/517367740.db2.gz ZUCFDRKVOOHIFV-WOJBJXKFSA-N 1 3 354.498 2.805 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2F)CCNC3)c1 ZINC000562769549 517380369 /nfs/dbraw/zinc/38/03/69/517380369.db2.gz PIWUEBLBSQLRED-UHFFFAOYSA-N 1 3 356.445 2.855 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC000562772917 517384272 /nfs/dbraw/zinc/38/42/72/517384272.db2.gz GLTPSPYXFBXYPY-UHFFFAOYSA-N 1 3 354.454 2.552 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000562806279 517420612 /nfs/dbraw/zinc/42/06/12/517420612.db2.gz ZDHWSQLTXBQJRF-UNMCSNQZSA-N 1 3 370.541 2.682 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC000515617119 517425882 /nfs/dbraw/zinc/42/58/82/517425882.db2.gz KRGRNGDUVYRKKK-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO OC[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000562958498 517533906 /nfs/dbraw/zinc/53/39/06/517533906.db2.gz KAALGJDMBDTXDO-DWLFOUALSA-N 1 3 352.478 2.683 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCOc3ccccc3)CC2)CC1 ZINC000553190165 517567663 /nfs/dbraw/zinc/56/76/63/517567663.db2.gz DLROSDICCTUFBH-UHFFFAOYSA-N 1 3 373.541 2.720 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000549457114 517573012 /nfs/dbraw/zinc/57/30/12/517573012.db2.gz YFVIYKVXMFLIEZ-SFHVURJKSA-N 1 3 364.921 2.869 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546266211 517621318 /nfs/dbraw/zinc/62/13/18/517621318.db2.gz UHNUORJVTQMRGH-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546266211 517621322 /nfs/dbraw/zinc/62/13/22/517621322.db2.gz UHNUORJVTQMRGH-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)OCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563155032 517697976 /nfs/dbraw/zinc/69/79/76/517697976.db2.gz YFVKECNBGLJEHZ-WOJBJXKFSA-N 1 3 373.541 2.549 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000563160572 517701566 /nfs/dbraw/zinc/70/15/66/517701566.db2.gz NWJOQENGLREIAQ-DYESRHJHSA-N 1 3 373.541 2.974 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000527487385 517704479 /nfs/dbraw/zinc/70/44/79/517704479.db2.gz PAHNLJUFGQSRSX-KCZVDYSFSA-N 1 3 355.526 2.747 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000527487385 517704485 /nfs/dbraw/zinc/70/44/85/517704485.db2.gz PAHNLJUFGQSRSX-KCZVDYSFSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000553462924 517727318 /nfs/dbraw/zinc/72/73/18/517727318.db2.gz VCZPRKKODOLOGY-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO c1ccc(CN2C[C@H](C[NH2+]CC[C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000556936728 517759891 /nfs/dbraw/zinc/75/98/91/517759891.db2.gz QDADQJZMEOQCIB-SFTDATJTSA-N 1 3 358.526 2.931 20 0 FFADHO C[C@H]1CC[C@@]2(CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)C1 ZINC000542851932 517781061 /nfs/dbraw/zinc/78/10/61/517781061.db2.gz MTJINPIYHCFOFT-LAUBAEHRSA-N 1 3 362.562 2.767 20 0 FFADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc(C(F)(F)F)c1 ZINC000527703295 517858626 /nfs/dbraw/zinc/85/86/26/517858626.db2.gz IKYKHGOUMBDERC-UHFFFAOYSA-N 1 3 359.436 2.830 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000557193164 517910492 /nfs/dbraw/zinc/91/04/92/517910492.db2.gz FNJJACUOZVAOIF-YLJYHZDGSA-N 1 3 356.514 2.506 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000557193162 517911085 /nfs/dbraw/zinc/91/10/85/517911085.db2.gz FNJJACUOZVAOIF-XLIONFOSSA-N 1 3 356.514 2.506 20 0 FFADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccncc1 ZINC000517046752 517997465 /nfs/dbraw/zinc/99/74/65/517997465.db2.gz JUQDQLLNZFQUSO-FQEVSTJZSA-N 1 3 358.530 2.769 20 0 FFADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccncc1 ZINC000517046752 517997474 /nfs/dbraw/zinc/99/74/74/517997474.db2.gz JUQDQLLNZFQUSO-FQEVSTJZSA-N 1 3 358.530 2.769 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)[C@H](C)C1 ZINC000527937323 517998817 /nfs/dbraw/zinc/99/88/17/517998817.db2.gz HODRPPZLVFKEHX-PMPSAXMXSA-N 1 3 362.440 2.713 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000522176926 518019753 /nfs/dbraw/zinc/01/97/53/518019753.db2.gz FIDUFLOGPAEODJ-LEWJYISDSA-N 1 3 372.557 2.920 20 0 FFADHO CN1CC[NH+](CCCCN[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000543404847 518073224 /nfs/dbraw/zinc/07/32/24/518073224.db2.gz OXZHAKOYQAYCTD-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)c(OC)c3)CC2)CC1 ZINC000563727880 518095100 /nfs/dbraw/zinc/09/51/00/518095100.db2.gz ZLBKVIPIADIPQN-UHFFFAOYSA-N 1 3 373.541 2.816 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522468452 518113770 /nfs/dbraw/zinc/11/37/70/518113770.db2.gz DQCNCNPRGIXCKQ-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522468452 518113780 /nfs/dbraw/zinc/11/37/80/518113780.db2.gz DQCNCNPRGIXCKQ-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO Cn1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(-c2cccs2)n1 ZINC000517330753 518120283 /nfs/dbraw/zinc/12/02/83/518120283.db2.gz SJLFACMCCXUIKP-IRXDYDNUSA-N 1 3 360.527 2.867 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCN2C2CCCCC2)cc1 ZINC000528151113 518121340 /nfs/dbraw/zinc/12/13/40/518121340.db2.gz XHTMOJNHHIYCMN-OAQYLSRUSA-N 1 3 372.557 2.997 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000528194259 518141553 /nfs/dbraw/zinc/14/15/53/518141553.db2.gz TTWXCZYTLDMSOV-SFHLNBCPSA-N 1 3 355.526 2.888 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000528194259 518141563 /nfs/dbraw/zinc/14/15/63/518141563.db2.gz TTWXCZYTLDMSOV-SFHLNBCPSA-N 1 3 355.526 2.888 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000528289381 518165935 /nfs/dbraw/zinc/16/59/35/518165935.db2.gz RKILLVQMMJMZDA-FQEVSTJZSA-N 1 3 371.529 2.614 20 0 FFADHO C[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CCC(Cc2ccccc2)CC1 ZINC000572527777 518234549 /nfs/dbraw/zinc/23/45/49/518234549.db2.gz LNZMCWPMIGMLOZ-AUSIDOKSSA-N 1 3 369.553 2.932 20 0 FFADHO O=C1CCCN1C[C@H](NCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000569693190 518244155 /nfs/dbraw/zinc/24/41/55/518244155.db2.gz BRFXBEIVEHBHGD-KRWDZBQOSA-N 1 3 369.431 2.958 20 0 FFADHO C[C@@H](Cc1ccc(F)c(Br)c1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000584287011 518264977 /nfs/dbraw/zinc/26/49/77/518264977.db2.gz QYFLNGRBIFSFGN-FZMZJTMJSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@@H](Cc1ccc(F)c(Br)c1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000584287011 518264980 /nfs/dbraw/zinc/26/49/80/518264980.db2.gz QYFLNGRBIFSFGN-FZMZJTMJSA-N 1 3 359.283 2.564 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)c(C)c2)CC1 ZINC000584331283 518284151 /nfs/dbraw/zinc/28/41/51/518284151.db2.gz LDWQZADIICQGAY-IBGZPJMESA-N 1 3 358.530 2.854 20 0 FFADHO CSC1(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCN(C)CC1 ZINC000564069426 518293543 /nfs/dbraw/zinc/29/35/43/518293543.db2.gz IPDJEEKCNWXZCD-UHFFFAOYSA-N 1 3 370.607 2.576 20 0 FFADHO CSC1(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCN(C)CC1 ZINC000564069426 518293548 /nfs/dbraw/zinc/29/35/48/518293548.db2.gz IPDJEEKCNWXZCD-UHFFFAOYSA-N 1 3 370.607 2.576 20 0 FFADHO c1ccc2c(c1)CC(C[NH2+]CCCN1CCN(c3ccncc3)CC1)C2 ZINC000567004967 518305684 /nfs/dbraw/zinc/30/56/84/518305684.db2.gz IWINGPYGQHAUDW-UHFFFAOYSA-N 1 3 350.510 2.598 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)c1OC ZINC000572677643 518307438 /nfs/dbraw/zinc/30/74/38/518307438.db2.gz SLWUFOZBEOIUHE-HZPDHXFCSA-N 1 3 350.503 2.991 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000581485343 518310922 /nfs/dbraw/zinc/31/09/22/518310922.db2.gz MIYOVBPPSUNYAL-ABHNRTSZSA-N 1 3 362.562 2.671 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000578655754 518313517 /nfs/dbraw/zinc/31/35/17/518313517.db2.gz UTTGWVZRCYIXLX-SFHVURJKSA-N 1 3 367.484 2.944 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000575894965 518332738 /nfs/dbraw/zinc/33/27/38/518332738.db2.gz UDDJIWADGIZPCX-AZUAARDMSA-N 1 3 370.497 2.804 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000569879508 518335778 /nfs/dbraw/zinc/33/57/78/518335778.db2.gz OSXNJBHITFPXEL-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000567117727 518359835 /nfs/dbraw/zinc/35/98/35/518359835.db2.gz QTDCZZSZZXUIQA-RHSMWYFYSA-N 1 3 354.926 2.972 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](CSC)C3)CC2)CC1 ZINC000578764374 518364146 /nfs/dbraw/zinc/36/41/46/518364146.db2.gz HNDXYZNCOGLBKM-KRWDZBQOSA-N 1 3 367.603 2.784 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(OCCN(C)C)c1 ZINC000575970612 518366732 /nfs/dbraw/zinc/36/67/32/518366732.db2.gz FRTPYEIFBXLYJY-FQEVSTJZSA-N 1 3 360.502 2.543 20 0 FFADHO NC[C@@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000581656870 518393149 /nfs/dbraw/zinc/39/31/49/518393149.db2.gz AHHCYCDPQHNCDH-NHCUHLMSSA-N 1 3 366.509 2.871 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000578850294 518402947 /nfs/dbraw/zinc/40/29/47/518402947.db2.gz JAWOWMKOBICQIM-UXHICEINSA-N 1 3 358.530 2.841 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000576055603 518406448 /nfs/dbraw/zinc/40/64/48/518406448.db2.gz RVYQAPKLRSKPQO-XLIONFOSSA-N 1 3 352.482 2.687 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000584579773 518407355 /nfs/dbraw/zinc/40/73/55/518407355.db2.gz KZUNIJYTOQSUNZ-JYJNAYRXSA-N 1 3 350.532 2.572 20 0 FFADHO C[N@H+](Cc1ccccc1CNC[C@H](O)Cn1cccn1)C1CCCCC1 ZINC000564445139 518455324 /nfs/dbraw/zinc/45/53/24/518455324.db2.gz ZJYLALDIHOLACU-NRFANRHFSA-N 1 3 356.514 2.798 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC[C@H](O)Cn1cccn1)C1CCCCC1 ZINC000564445139 518455328 /nfs/dbraw/zinc/45/53/28/518455328.db2.gz ZJYLALDIHOLACU-NRFANRHFSA-N 1 3 356.514 2.798 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000564452254 518457717 /nfs/dbraw/zinc/45/77/17/518457717.db2.gz BQKBMNSIYSMGTN-JJRVBVJISA-N 1 3 357.420 2.683 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000578993736 518470671 /nfs/dbraw/zinc/47/06/71/518470671.db2.gz ZLOKEYXXNVRANK-UHFFFAOYSA-N 1 3 374.510 2.803 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC3)cc1 ZINC000576219055 518487760 /nfs/dbraw/zinc/48/77/60/518487760.db2.gz XFVLOCADSQHVRN-FCGDIQPGSA-N 1 3 369.488 2.909 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C(N)C(F)(F)F)cc2)C1 ZINC000567381874 518497037 /nfs/dbraw/zinc/49/70/37/518497037.db2.gz OPDNNHOTALUFJG-XJKCOSOUSA-N 1 3 357.420 2.670 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000584829217 518497932 /nfs/dbraw/zinc/49/79/32/518497932.db2.gz KLHUZKRXQVQKJM-DLBZAZTESA-N 1 3 364.559 2.777 20 0 FFADHO c1ccc(CN2CCCO[C@H](CNC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000570231910 518507164 /nfs/dbraw/zinc/50/71/64/518507164.db2.gz PEFAOJQZLBZURO-JOCHJYFZSA-N 1 3 357.542 2.742 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccccc1 ZINC000576272469 518512557 /nfs/dbraw/zinc/51/25/57/518512557.db2.gz ZFRWOHCYTBVCDK-SFTDATJTSA-N 1 3 354.494 2.581 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccccc1 ZINC000576272469 518512561 /nfs/dbraw/zinc/51/25/61/518512561.db2.gz ZFRWOHCYTBVCDK-SFTDATJTSA-N 1 3 354.494 2.581 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)COc1ccccc1 ZINC000576272469 518512567 /nfs/dbraw/zinc/51/25/67/518512567.db2.gz ZFRWOHCYTBVCDK-SFTDATJTSA-N 1 3 354.494 2.581 20 0 FFADHO [NH3+]Cc1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000570264068 518523400 /nfs/dbraw/zinc/52/34/00/518523400.db2.gz WYCFQDXXFQKHRQ-FQEVSTJZSA-N 1 3 368.481 2.558 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)COc1ccccc1 ZINC000582176335 518624888 /nfs/dbraw/zinc/62/48/88/518624888.db2.gz OGCROFSXXQNFSC-SFHVURJKSA-N 1 3 360.523 2.990 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000567655141 518634300 /nfs/dbraw/zinc/63/43/00/518634300.db2.gz CBMFKRFHCXNQMX-BRWVUGGUSA-N 1 3 355.482 2.716 20 0 FFADHO O=C(COc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000576576055 518659419 /nfs/dbraw/zinc/65/94/19/518659419.db2.gz DMLCETUYNRCFOB-FYZZASKESA-N 1 3 371.525 2.567 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000579451556 518686210 /nfs/dbraw/zinc/68/62/10/518686210.db2.gz DHUXKJLLISBFBG-JKSUJKDBSA-N 1 3 350.532 2.572 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000579451554 518686696 /nfs/dbraw/zinc/68/66/96/518686696.db2.gz DHUXKJLLISBFBG-HOTGVXAUSA-N 1 3 350.532 2.572 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000570633034 518704607 /nfs/dbraw/zinc/70/46/07/518704607.db2.gz WHDULBODGLGTBS-RTBURBONSA-N 1 3 371.525 2.508 20 0 FFADHO CC1(CNC(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]CC1 ZINC000573548113 518719704 /nfs/dbraw/zinc/71/97/04/518719704.db2.gz ZGAGTFUNMOIPLV-UHFFFAOYSA-N 1 3 358.530 2.861 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@]3(C)CCC[NH2+]C3)c(C)c2)CC1 ZINC000582534119 518799216 /nfs/dbraw/zinc/79/92/16/518799216.db2.gz NNVSTDVUVHWSSA-OAQYLSRUSA-N 1 3 373.545 2.648 20 0 FFADHO CCN(C[C@H]1CC[N@H+](C[C@H](CN)c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990605 518819905 /nfs/dbraw/zinc/81/99/05/518819905.db2.gz MRNJLALSJADJGW-WBVHZDCISA-N 1 3 373.463 2.944 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](C[C@H](CN)c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990605 518819909 /nfs/dbraw/zinc/81/99/09/518819909.db2.gz MRNJLALSJADJGW-WBVHZDCISA-N 1 3 373.463 2.944 20 0 FFADHO CCN(C[C@H]1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990605 518819912 /nfs/dbraw/zinc/81/99/12/518819912.db2.gz MRNJLALSJADJGW-WBVHZDCISA-N 1 3 373.463 2.944 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000579838202 518880715 /nfs/dbraw/zinc/88/07/15/518880715.db2.gz MKDWFVPFKWHNIX-WCCBULMPSA-N 1 3 355.526 2.793 20 0 FFADHO CCCOc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000579837515 518881518 /nfs/dbraw/zinc/88/15/18/518881518.db2.gz GFSOAFXKFAMWIK-UYAOXDASSA-N 1 3 359.514 2.556 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3[C@@H](C)C3CC3)CC2)CC1 ZINC000579850149 518887031 /nfs/dbraw/zinc/88/70/31/518887031.db2.gz ORYZDYXGQOWBNY-INIZCTEOSA-N 1 3 373.545 2.989 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCC1CC[NH2+]CC1 ZINC000577047217 518890018 /nfs/dbraw/zinc/89/00/18/518890018.db2.gz IKKQWMDLZAEZGP-HXUWFJFHSA-N 1 3 372.557 2.758 20 0 FFADHO CN1CCN([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000571073298 518914337 /nfs/dbraw/zinc/91/43/37/518914337.db2.gz PRUVEACMCQFRMX-WJFTUGDTSA-N 1 3 362.587 2.547 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000579923664 518920138 /nfs/dbraw/zinc/92/01/38/518920138.db2.gz ZRLIJSDNWSPMAT-UHFFFAOYSA-N 1 3 352.548 2.553 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000574022108 518949095 /nfs/dbraw/zinc/94/90/95/518949095.db2.gz HFUPXJUYMAFBAO-WOJBJXKFSA-N 1 3 350.466 2.899 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+](C)[C@@H](C)CC)N1CCc2ccccc2C1 ZINC000589210475 518953377 /nfs/dbraw/zinc/95/33/77/518953377.db2.gz ZRSAITALDMEKNV-FXAWDEMLSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+](C)[C@@H](C)CC)N1CCc2ccccc2C1 ZINC000589210475 518953381 /nfs/dbraw/zinc/95/33/81/518953381.db2.gz ZRSAITALDMEKNV-FXAWDEMLSA-N 1 3 360.546 2.853 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582854820 518954967 /nfs/dbraw/zinc/95/49/67/518954967.db2.gz ZBZJBMPOZXISPC-VXKWHMMOSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582854820 518954970 /nfs/dbraw/zinc/95/49/70/518954970.db2.gz ZBZJBMPOZXISPC-VXKWHMMOSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582854818 518955177 /nfs/dbraw/zinc/95/51/77/518955177.db2.gz ZBZJBMPOZXISPC-FCHUYYIVSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582854818 518955186 /nfs/dbraw/zinc/95/51/86/518955186.db2.gz ZBZJBMPOZXISPC-FCHUYYIVSA-N 1 3 365.521 2.798 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccccc1 ZINC000577282789 519004973 /nfs/dbraw/zinc/00/49/73/519004973.db2.gz XLORAOJUFYJEFY-TUNNFDKTSA-N 1 3 373.541 2.592 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000580100276 519007755 /nfs/dbraw/zinc/00/77/55/519007755.db2.gz UPKHGTPQEGGVSI-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)C1 ZINC000580168794 519040277 /nfs/dbraw/zinc/04/02/77/519040277.db2.gz FUQUTPMUCPMZAT-QUCCMNQESA-N 1 3 368.481 2.987 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1F ZINC000565626189 519049781 /nfs/dbraw/zinc/04/97/81/519049781.db2.gz NSUAIKQEGYKCDP-INIZCTEOSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1F ZINC000565626189 519049785 /nfs/dbraw/zinc/04/97/85/519049785.db2.gz NSUAIKQEGYKCDP-INIZCTEOSA-N 1 3 369.912 2.896 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000565646247 519061002 /nfs/dbraw/zinc/06/10/02/519061002.db2.gz BHTISMDFXPWREY-CRAIPNDOSA-N 1 3 367.497 2.540 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000571387748 519071439 /nfs/dbraw/zinc/07/14/39/519071439.db2.gz AAACPCARACVMQW-DSKINZAPSA-N 1 3 358.530 2.810 20 0 FFADHO CCC[NH2+][C@H](C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000574274062 519075496 /nfs/dbraw/zinc/07/54/96/519075496.db2.gz CSQYPCZOZYECSQ-MJGOQNOKSA-N 1 3 369.513 2.965 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000580244860 519077850 /nfs/dbraw/zinc/07/78/50/519077850.db2.gz BAWJPEVMFCVYMS-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC(CC[NH3+])CC2)cc1 ZINC000574406368 519140967 /nfs/dbraw/zinc/14/09/67/519140967.db2.gz NVGSEXRLCXXTEF-HXUWFJFHSA-N 1 3 359.514 2.810 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000571535914 519146734 /nfs/dbraw/zinc/14/67/34/519146734.db2.gz UZBOYUHOUKZSAI-SFTDATJTSA-N 1 3 351.494 2.928 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000571535914 519146742 /nfs/dbraw/zinc/14/67/42/519146742.db2.gz UZBOYUHOUKZSAI-SFTDATJTSA-N 1 3 351.494 2.928 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000565964740 519220756 /nfs/dbraw/zinc/22/07/56/519220756.db2.gz PFMQHQMNKDZXRN-HUUCEWRRSA-N 1 3 365.484 2.941 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000565964740 519220760 /nfs/dbraw/zinc/22/07/60/519220760.db2.gz PFMQHQMNKDZXRN-HUUCEWRRSA-N 1 3 365.484 2.941 20 0 FFADHO NC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CCCO1 ZINC000574624014 519247971 /nfs/dbraw/zinc/24/79/71/519247971.db2.gz BJNPQRXSUYLHML-GOSISDBHSA-N 1 3 353.466 2.732 20 0 FFADHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CCCO1 ZINC000574624014 519247977 /nfs/dbraw/zinc/24/79/77/519247977.db2.gz BJNPQRXSUYLHML-GOSISDBHSA-N 1 3 353.466 2.732 20 0 FFADHO CSC1(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCN(C)CC1 ZINC000571769653 519267987 /nfs/dbraw/zinc/26/79/87/519267987.db2.gz BMXBMQJVLWAQMF-AEFFLSMTSA-N 1 3 370.607 2.624 20 0 FFADHO COc1cccc2cc([C@@H](C)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc21 ZINC000566092331 519292684 /nfs/dbraw/zinc/29/26/84/519292684.db2.gz PACQQQBXAVADJW-AUJRIZCKSA-N 1 3 371.481 2.739 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000566204853 519367444 /nfs/dbraw/zinc/36/74/44/519367444.db2.gz KLVLRQCVQQPJMI-ZHALLVOQSA-N 1 3 361.505 2.919 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC[C@H]3C3CC3)CC2)CC1 ZINC000578026139 519379226 /nfs/dbraw/zinc/37/92/26/519379226.db2.gz KHNGFUFDAYOIPV-IBGZPJMESA-N 1 3 365.587 2.537 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(-c2ccccc2)nn1C ZINC000580875309 519401906 /nfs/dbraw/zinc/40/19/06/519401906.db2.gz FSCHPCBBABKUQA-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000580882796 519407586 /nfs/dbraw/zinc/40/75/86/519407586.db2.gz ZMPAWICHORFXGO-OTWHNJEPSA-N 1 3 362.493 2.526 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccccc1F ZINC000572030528 519408537 /nfs/dbraw/zinc/40/85/37/519408537.db2.gz XZXJRXQFIQXAEK-UXHICEINSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccccc1F ZINC000572030528 519408545 /nfs/dbraw/zinc/40/85/45/519408545.db2.gz XZXJRXQFIQXAEK-UXHICEINSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)COc1ccccc1F ZINC000572030528 519408550 /nfs/dbraw/zinc/40/85/50/519408550.db2.gz XZXJRXQFIQXAEK-UXHICEINSA-N 1 3 372.484 2.720 20 0 FFADHO CC(C)C[C@H](CNC(=O)C[C@H]1CSCCN1)[NH2+][C@@H](C)c1ccccc1 ZINC000572033493 519409398 /nfs/dbraw/zinc/40/93/98/519409398.db2.gz KAVJLSMNSZSTOX-UHOSZYNNSA-N 1 3 363.571 2.963 20 0 FFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000578129822 519433977 /nfs/dbraw/zinc/43/39/77/519433977.db2.gz FAOZGBLEQZOHRH-IAGOWNOFSA-N 1 3 353.576 2.762 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566369758 519457185 /nfs/dbraw/zinc/45/71/85/519457185.db2.gz VSUIDSRKBAWFCJ-IBGZPJMESA-N 1 3 361.555 2.582 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCN3C[C@H]4CC[C@@H](C3)O4)C2)s1 ZINC000578196535 519468780 /nfs/dbraw/zinc/46/87/80/519468780.db2.gz LRZKYIWDXUWKHD-GBESFXJTSA-N 1 3 363.571 2.673 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCN3C[C@H]4CC[C@@H](C3)O4)C2)s1 ZINC000578196535 519468784 /nfs/dbraw/zinc/46/87/84/519468784.db2.gz LRZKYIWDXUWKHD-GBESFXJTSA-N 1 3 363.571 2.673 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCN3C[C@H]4CC[C@@H](C3)O4)C2)s1 ZINC000578196535 519468794 /nfs/dbraw/zinc/46/87/94/519468794.db2.gz LRZKYIWDXUWKHD-GBESFXJTSA-N 1 3 363.571 2.673 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCN3C[C@H]4CC[C@@H](C3)O4)C2)s1 ZINC000578196535 519468799 /nfs/dbraw/zinc/46/87/99/519468799.db2.gz LRZKYIWDXUWKHD-GBESFXJTSA-N 1 3 363.571 2.673 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCCCC[NH2+]3)CC2)c1 ZINC000569344698 519502807 /nfs/dbraw/zinc/50/28/07/519502807.db2.gz WQFJGOMVWYLWCJ-OAQYLSRUSA-N 1 3 372.557 2.546 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@H](C)C1 ZINC000566500043 519522347 /nfs/dbraw/zinc/52/23/47/519522347.db2.gz DARUHHNNXLOWPA-MNEFBYGVSA-N 1 3 350.478 2.856 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@H](C)C1 ZINC000566500043 519522355 /nfs/dbraw/zinc/52/23/55/519522355.db2.gz DARUHHNNXLOWPA-MNEFBYGVSA-N 1 3 350.478 2.856 20 0 FFADHO CC(C)(CNC(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000578334025 519541275 /nfs/dbraw/zinc/54/12/75/519541275.db2.gz NTBKKKAXJTWTCU-KRWDZBQOSA-N 1 3 358.530 2.512 20 0 FFADHO C[C@@H]1C[C@@H](CCN[C@@H](Cc2ccccc2)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000575219784 519558979 /nfs/dbraw/zinc/55/89/79/519558979.db2.gz KGEAHDRLUZFQPT-QIJUGHKUSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@@H](CCN[C@@H](Cc2ccccc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000575219784 519558987 /nfs/dbraw/zinc/55/89/87/519558987.db2.gz KGEAHDRLUZFQPT-QIJUGHKUSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@H](NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000581185016 519564853 /nfs/dbraw/zinc/56/48/53/519564853.db2.gz AHXYRDPYQGGGKP-BPUTZDHNSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)[C@H]1CCCNC1 ZINC000581185016 519564857 /nfs/dbraw/zinc/56/48/57/519564857.db2.gz AHXYRDPYQGGGKP-BPUTZDHNSA-N 1 3 360.420 2.714 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000581189405 519568405 /nfs/dbraw/zinc/56/84/05/519568405.db2.gz NZCHKRFDICDSIM-UXHICEINSA-N 1 3 352.482 2.734 20 0 FFADHO C[NH+](C)CCCCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000566612483 519577781 /nfs/dbraw/zinc/57/77/81/519577781.db2.gz PKHUEIFPKLZIMI-UHFFFAOYSA-N 1 3 353.551 2.648 20 0 FFADHO COCCn1cc2c(n1)[C@H](NC1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000581236822 519592847 /nfs/dbraw/zinc/59/28/47/519592847.db2.gz XTGWAEPIZJWXQI-LJQANCHMSA-N 1 3 355.486 2.561 20 0 FFADHO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCCN3C3CCOCC3)cccc21 ZINC000566658238 519597866 /nfs/dbraw/zinc/59/78/66/519597866.db2.gz ALQFEGQICZGVAX-OALUTQOASA-N 1 3 373.497 2.654 20 0 FFADHO COc1cc(NC(=O)CCNCCC[NH+]2CCCC2)c(OC)cc1Cl ZINC000566657544 519598241 /nfs/dbraw/zinc/59/82/41/519598241.db2.gz PJGJFOHFXQXCOP-UHFFFAOYSA-N 1 3 369.893 2.761 20 0 FFADHO COc1cc(NC(=O)CC[NH2+]CCCN2CCCC2)c(OC)cc1Cl ZINC000566657544 519598243 /nfs/dbraw/zinc/59/82/43/519598243.db2.gz PJGJFOHFXQXCOP-UHFFFAOYSA-N 1 3 369.893 2.761 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000581265469 519606143 /nfs/dbraw/zinc/60/61/43/519606143.db2.gz FDUMQEINIOXCJL-HJNYFJLDSA-N 1 3 359.558 2.940 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000581265469 519606149 /nfs/dbraw/zinc/60/61/49/519606149.db2.gz FDUMQEINIOXCJL-HJNYFJLDSA-N 1 3 359.558 2.940 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000591560458 519951794 /nfs/dbraw/zinc/95/17/94/519951794.db2.gz JBAWRDPQUOJUSR-APWZRJJASA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000591560458 519951798 /nfs/dbraw/zinc/95/17/98/519951798.db2.gz JBAWRDPQUOJUSR-APWZRJJASA-N 1 3 358.530 2.605 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000608656476 520069028 /nfs/dbraw/zinc/06/90/28/520069028.db2.gz WAPININUOCGFTA-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000608656476 520069032 /nfs/dbraw/zinc/06/90/32/520069032.db2.gz WAPININUOCGFTA-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000595066913 520277265 /nfs/dbraw/zinc/27/72/65/520277265.db2.gz GNFCTFYMBZNOSL-YPXCTIMRSA-N 1 3 352.544 2.967 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000592494863 520417940 /nfs/dbraw/zinc/41/79/40/520417940.db2.gz HDYVKOLEPAMLBJ-PMACEKPBSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000592494863 520417950 /nfs/dbraw/zinc/41/79/50/520417950.db2.gz HDYVKOLEPAMLBJ-PMACEKPBSA-N 1 3 370.541 2.967 20 0 FFADHO COC(=O)c1cnc(C2CCN(CCCC3CC[NH2+]CC3)CC2)s1 ZINC000600725985 520426746 /nfs/dbraw/zinc/42/67/46/520426746.db2.gz ZNXTUMKNQMEDKE-UHFFFAOYSA-N 1 3 351.516 2.889 20 0 FFADHO CCOC(=O)c1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)[nH]c1C ZINC000592525011 520439646 /nfs/dbraw/zinc/43/96/46/520439646.db2.gz KNGOAWSHQWNLOY-XLIONFOSSA-N 1 3 355.482 2.935 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604157823 520462881 /nfs/dbraw/zinc/46/28/81/520462881.db2.gz ILHXWNNSLFYDRA-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604195180 520481064 /nfs/dbraw/zinc/48/10/64/520481064.db2.gz SNPPGQMTJQQMIK-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604195180 520481070 /nfs/dbraw/zinc/48/10/70/520481070.db2.gz SNPPGQMTJQQMIK-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000600894769 520515977 /nfs/dbraw/zinc/51/59/77/520515977.db2.gz ROSDAJOPZUDBSF-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000600894769 520515986 /nfs/dbraw/zinc/51/59/86/520515986.db2.gz ROSDAJOPZUDBSF-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(-c2ccccc2)n1 ZINC000617504195 520539432 /nfs/dbraw/zinc/53/94/32/520539432.db2.gz KKFMHIAKGWADNK-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(-c2ccccc2)n1 ZINC000617504195 520539439 /nfs/dbraw/zinc/53/94/39/520539439.db2.gz KKFMHIAKGWADNK-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[N@H+](C)C3CCCC3)CC2)CC1 ZINC000604588033 520611890 /nfs/dbraw/zinc/61/18/90/520611890.db2.gz JGLHWKBEGWKTAJ-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[N@@H+](C)C3CCCC3)CC2)CC1 ZINC000604588033 520611898 /nfs/dbraw/zinc/61/18/98/520611898.db2.gz JGLHWKBEGWKTAJ-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000613798483 520680457 /nfs/dbraw/zinc/68/04/57/520680457.db2.gz KJXUXSORTXPEGY-HUUCEWRRSA-N 1 3 374.403 2.713 20 0 FFADHO C[C@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606635075 521116273 /nfs/dbraw/zinc/11/62/73/521116273.db2.gz JPQASYOMFBVMPK-SFHVURJKSA-N 1 3 372.557 2.723 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606643122 521120042 /nfs/dbraw/zinc/12/00/42/521120042.db2.gz PUAUHKUJWOTJCC-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@H]2C[N@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000599319165 521148890 /nfs/dbraw/zinc/14/88/90/521148890.db2.gz KTKGOLPYDLVQIP-UISNHOIMSA-N 1 3 366.546 2.666 20 0 FFADHO CN1CCC[C@H]2C[N@@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000599319165 521148898 /nfs/dbraw/zinc/14/88/98/521148898.db2.gz KTKGOLPYDLVQIP-UISNHOIMSA-N 1 3 366.546 2.666 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000607234829 521301520 /nfs/dbraw/zinc/30/15/20/521301520.db2.gz PBRJDKZUYYNGOG-MRXNPFEDSA-N 1 3 374.451 2.815 20 0 FFADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000607901451 521491939 /nfs/dbraw/zinc/49/19/39/521491939.db2.gz CHAPKANXKSMQEX-CQSZACIVSA-N 1 3 359.436 2.761 20 0 FFADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000615672116 521498670 /nfs/dbraw/zinc/49/86/70/521498670.db2.gz KPFPXAIJHLZHCL-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000615672116 521498675 /nfs/dbraw/zinc/49/86/75/521498675.db2.gz KPFPXAIJHLZHCL-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccncc2)CC1 ZINC000619535815 521756814 /nfs/dbraw/zinc/75/68/14/521756814.db2.gz GUDUJTLLZIZPGD-HXUWFJFHSA-N 1 3 364.493 2.642 20 0 FFADHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccncc2)CC1 ZINC000619535815 521756829 /nfs/dbraw/zinc/75/68/29/521756829.db2.gz GUDUJTLLZIZPGD-HXUWFJFHSA-N 1 3 364.493 2.642 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626076873 521913620 /nfs/dbraw/zinc/91/36/20/521913620.db2.gz YCKUDBVZTMPNPC-ZJMJOCHXSA-N 1 3 367.537 2.744 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626076873 521913628 /nfs/dbraw/zinc/91/36/28/521913628.db2.gz YCKUDBVZTMPNPC-ZJMJOCHXSA-N 1 3 367.537 2.744 20 0 FFADHO C[NH+](C)CCOCCNCc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC000623494127 522066779 /nfs/dbraw/zinc/06/67/79/522066779.db2.gz CUGLMHLCGLAZQC-UHFFFAOYSA-N 1 3 372.444 2.934 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000623616618 522162987 /nfs/dbraw/zinc/16/29/87/522162987.db2.gz UVSOWHQYXGPPOO-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000623616618 522162997 /nfs/dbraw/zinc/16/29/97/522162997.db2.gz UVSOWHQYXGPPOO-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000629419677 522207831 /nfs/dbraw/zinc/20/78/31/522207831.db2.gz RFOAEDNADNUKHN-IBGZPJMESA-N 1 3 365.562 2.600 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C/C=C\Cc3ccccc3)CC2)CC1 ZINC000635457578 522279608 /nfs/dbraw/zinc/27/96/08/522279608.db2.gz LSELWZVTCMDVIS-WAYWQWQTSA-N 1 3 355.526 2.850 20 0 FFADHO O=C1[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(Cl)cc1F ZINC000629531882 522301465 /nfs/dbraw/zinc/30/14/65/522301465.db2.gz BXHHRYNIWOXWDA-ZNEHSRBWSA-N 1 3 351.853 2.562 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000635526933 522336241 /nfs/dbraw/zinc/33/62/41/522336241.db2.gz WXJOMRUVOBNCHM-IBGZPJMESA-N 1 3 358.530 2.728 20 0 FFADHO COc1cccc(SCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000629591402 522339873 /nfs/dbraw/zinc/33/98/73/522339873.db2.gz HUMQUONEBQZQNE-GOSISDBHSA-N 1 3 350.528 2.878 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000623878219 522342474 /nfs/dbraw/zinc/34/24/74/522342474.db2.gz BWPPWEZHNPEATL-DOIPELPJSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000623878219 522342482 /nfs/dbraw/zinc/34/24/82/522342482.db2.gz BWPPWEZHNPEATL-DOIPELPJSA-N 1 3 370.541 2.681 20 0 FFADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000632868248 522344614 /nfs/dbraw/zinc/34/46/14/522344614.db2.gz PPJIQMZASGIXLQ-AEGPPILISA-N 1 3 356.388 2.898 20 0 FFADHO C[NH2+]CCOCCN(C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000629654401 522374098 /nfs/dbraw/zinc/37/40/98/522374098.db2.gz QPUYHLGKYALFOZ-UHFFFAOYSA-N 1 3 356.392 2.763 20 0 FFADHO Cc1cccn2cc(COc3ccc(CN(C)CCOCC[NH3+])cc3)nc12 ZINC000629665131 522383807 /nfs/dbraw/zinc/38/38/07/522383807.db2.gz NTHCSIQLHYRYRR-UHFFFAOYSA-N 1 3 368.481 2.629 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 ZINC000632949069 522420235 /nfs/dbraw/zinc/42/02/35/522420235.db2.gz OIQSEKUFTZMVKN-UHFFFAOYSA-N 1 3 356.474 2.903 20 0 FFADHO C[NH+](C)CC1(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000635716097 522472863 /nfs/dbraw/zinc/47/28/63/522472863.db2.gz OUIFORPIXBEFQL-SFHVURJKSA-N 1 3 367.497 2.610 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000620825707 522473036 /nfs/dbraw/zinc/47/30/36/522473036.db2.gz RLGZETYJOMOWDQ-FPOVZHCZSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C[NH2+]1 ZINC000626984575 522572656 /nfs/dbraw/zinc/57/26/56/522572656.db2.gz IOIOZIDCSIKJGV-PNBKFKSVSA-N 1 3 350.532 2.571 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000627029573 522603522 /nfs/dbraw/zinc/60/35/22/522603522.db2.gz XQTPBXDKXHQSDM-OTWHNJEPSA-N 1 3 358.530 2.727 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000624353366 522631511 /nfs/dbraw/zinc/63/15/11/522631511.db2.gz OLCSSMJXYDSATQ-LEWJYISDSA-N 1 3 367.493 2.911 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000624353366 522631518 /nfs/dbraw/zinc/63/15/18/522631518.db2.gz OLCSSMJXYDSATQ-LEWJYISDSA-N 1 3 367.493 2.911 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000624614334 522820905 /nfs/dbraw/zinc/82/09/05/522820905.db2.gz PINMEROZLXYYAF-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000624614334 522820909 /nfs/dbraw/zinc/82/09/09/522820909.db2.gz PINMEROZLXYYAF-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CC[NH2+]CCCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000634133332 523204775 /nfs/dbraw/zinc/20/47/75/523204775.db2.gz XAKFQYSORPRXNJ-NRFANRHFSA-N 1 3 358.530 2.684 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636816038 523230762 /nfs/dbraw/zinc/23/07/62/523230762.db2.gz JHNHUZAHSVYDOS-KRWDZBQOSA-N 1 3 362.522 2.536 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636816038 523230770 /nfs/dbraw/zinc/23/07/70/523230770.db2.gz JHNHUZAHSVYDOS-KRWDZBQOSA-N 1 3 362.522 2.536 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000637277948 523528627 /nfs/dbraw/zinc/52/86/27/523528627.db2.gz INPAZSSUSAPABQ-MOPGFXCFSA-N 1 3 358.530 2.600 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000628544016 523597270 /nfs/dbraw/zinc/59/72/70/523597270.db2.gz ZTMGLIHLILYWPY-RTBURBONSA-N 1 3 365.587 2.727 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000669120052 568058223 /nfs/dbraw/zinc/05/82/23/568058223.db2.gz OEQQRZREHYAOSL-NRSPTQNISA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000669120052 568058224 /nfs/dbraw/zinc/05/82/24/568058224.db2.gz OEQQRZREHYAOSL-NRSPTQNISA-N 1 3 357.542 2.740 20 0 FFADHO CC[NH+]1CCC(C[NH2+]Cc2cc(Br)c([O-])c(OC)c2)CC1 ZINC000044517583 727987216 /nfs/dbraw/zinc/98/72/16/727987216.db2.gz IEVZDCMCIYJADM-UHFFFAOYSA-N 1 3 357.292 2.985 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000091856858 728463008 /nfs/dbraw/zinc/46/30/08/728463008.db2.gz VMLFACKIXPXDOK-VQTJNVASSA-N 1 3 362.539 2.868 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000125846548 728688681 /nfs/dbraw/zinc/68/86/81/728688681.db2.gz LTAXFCPKOGAHAI-HOTGVXAUSA-N 1 3 353.532 2.829 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)c2cccs2)CC1 ZINC000195122174 729530058 /nfs/dbraw/zinc/53/00/58/729530058.db2.gz RDKYWQKHPVNAKD-IAGOWNOFSA-N 1 3 364.559 2.915 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)c2cccs2)CC1 ZINC000195122174 729530059 /nfs/dbraw/zinc/53/00/59/729530059.db2.gz RDKYWQKHPVNAKD-IAGOWNOFSA-N 1 3 364.559 2.915 20 0 FFADHO CSc1nnc(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1CC(C)C ZINC000246944606 729592409 /nfs/dbraw/zinc/59/24/09/729592409.db2.gz SHXIRAMDKCNXPS-HOTGVXAUSA-N 1 3 351.564 2.805 20 0 FFADHO CSc1nnc(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)n1CC(C)C ZINC000246944606 729592412 /nfs/dbraw/zinc/59/24/12/729592412.db2.gz SHXIRAMDKCNXPS-HOTGVXAUSA-N 1 3 351.564 2.805 20 0 FFADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000638669750 730038682 /nfs/dbraw/zinc/03/86/82/730038682.db2.gz AXPNLWYVLODFOE-KBPBESRZSA-N 1 3 358.360 2.855 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000638720500 730040839 /nfs/dbraw/zinc/04/08/39/730040839.db2.gz JOHBBLPEFVDSNP-QGZVFWFLSA-N 1 3 351.922 2.744 20 0 FFADHO CN1CC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000638802453 730045447 /nfs/dbraw/zinc/04/54/47/730045447.db2.gz OYCSFVDDVQFBTI-OALUTQOASA-N 1 3 365.949 2.910 20 0 FFADHO CN1CC[C@H](NC2CC[NH+](CC(C)(C)O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000638802453 730045449 /nfs/dbraw/zinc/04/54/49/730045449.db2.gz OYCSFVDDVQFBTI-OALUTQOASA-N 1 3 365.949 2.910 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000639919853 730110429 /nfs/dbraw/zinc/11/04/29/730110429.db2.gz VVYXVFCHFNDBDB-LJQANCHMSA-N 1 3 371.928 2.908 20 0 FFADHO CCCN(C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645168365 730531686 /nfs/dbraw/zinc/53/16/86/730531686.db2.gz QOZBMJMZLOVVLS-CEXWTWQISA-N 1 3 352.567 2.870 20 0 FFADHO CCCN(C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645168365 730531689 /nfs/dbraw/zinc/53/16/89/730531689.db2.gz QOZBMJMZLOVVLS-CEXWTWQISA-N 1 3 352.567 2.870 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862273423 730684520 /nfs/dbraw/zinc/68/45/20/730684520.db2.gz ZEUNLVGJNAKKIC-LSDHHAIUSA-N 1 3 361.477 2.953 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862273423 730684521 /nfs/dbraw/zinc/68/45/21/730684521.db2.gz ZEUNLVGJNAKKIC-LSDHHAIUSA-N 1 3 361.477 2.953 20 0 FFADHO COC[C@H](CCC[NH3+])NC1(c2cc(Br)ccc2OC)CC1 ZINC000647800543 730762813 /nfs/dbraw/zinc/76/28/13/730762813.db2.gz FCZKGJDJWHRRLY-ZDUSSCGKSA-N 1 3 357.292 2.790 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCCc1ccc(Cl)cc1 ZINC000647975153 730778790 /nfs/dbraw/zinc/77/87/90/730778790.db2.gz NMZILJOFOZDFAV-QZTJIDSGSA-N 1 3 363.933 2.710 20 0 FFADHO CCN(CC)c1ncc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707020 731021792 /nfs/dbraw/zinc/02/17/92/731021792.db2.gz XBRVZLRHEUGPPB-ZMSDIMECSA-N 1 3 352.548 2.708 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ncccc3SC)CC2)CC1 ZINC000655165943 731433922 /nfs/dbraw/zinc/43/39/22/731433922.db2.gz XZECIIWAVUVDPX-UHFFFAOYSA-N 1 3 362.543 2.938 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655446406 731458426 /nfs/dbraw/zinc/45/84/26/731458426.db2.gz SEQWPZASHKALIJ-ICSRJNTNSA-N 1 3 359.539 2.606 20 0 FFADHO CN(C)[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655692300 731499240 /nfs/dbraw/zinc/49/92/40/731499240.db2.gz SWUPXBUQPHXAHG-LPHOPBHVSA-N 1 3 351.922 2.786 20 0 FFADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1OCCc2sccc21 ZINC000655770737 731507162 /nfs/dbraw/zinc/50/71/62/731507162.db2.gz OKKFTOOZNBVEOF-GMBSWORKSA-N 1 3 350.528 2.983 20 0 FFADHO CCOc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(Cl)c1[O-] ZINC000656499170 731584337 /nfs/dbraw/zinc/58/43/37/731584337.db2.gz YSUVSHXUCUJLTQ-HNNXBMFYSA-N 1 3 367.921 2.702 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000925833438 738534466 /nfs/dbraw/zinc/53/44/66/738534466.db2.gz IYGZBZXUAGNPHJ-SJLPKXTDSA-N 1 3 352.544 2.923 20 0 FFADHO C[C@H]1C[C@@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccsc2S1 ZINC000925856003 738537680 /nfs/dbraw/zinc/53/76/80/738537680.db2.gz WCMFFUXPVFOITR-OUCADQQQSA-N 1 3 352.525 2.948 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCCOc3cc(Cl)ccc32)CC12CC[NH2+]CC2 ZINC000925858493 738538556 /nfs/dbraw/zinc/53/85/56/738538556.db2.gz TXIYPCYOZNTVCJ-GOEBONIOSA-N 1 3 364.873 2.829 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)N(C)C)cc1 ZINC000662663675 732344072 /nfs/dbraw/zinc/34/40/72/732344072.db2.gz OYRHLSGBWYHQLQ-DOTOQJQBSA-N 1 3 357.420 2.510 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000664094790 732536609 /nfs/dbraw/zinc/53/66/09/732536609.db2.gz VVRCOJYUUVCXFF-HNNXBMFYSA-N 1 3 366.937 2.900 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000664094790 732536610 /nfs/dbraw/zinc/53/66/10/732536610.db2.gz VVRCOJYUUVCXFF-HNNXBMFYSA-N 1 3 366.937 2.900 20 0 FFADHO COCCN(Cc1cccc(Br)n1)CC1CC[NH+](C)CC1 ZINC000879127587 732651464 /nfs/dbraw/zinc/65/14/64/732651464.db2.gz YUXALBQHNJJDAC-UHFFFAOYSA-N 1 3 356.308 2.634 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N(C)C)cc1 ZINC000664971459 732654466 /nfs/dbraw/zinc/65/44/66/732654466.db2.gz RILXAQVYDSHZRC-RHSMWYFYSA-N 1 3 352.548 2.651 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000664971465 732654495 /nfs/dbraw/zinc/65/44/95/732654495.db2.gz RILXAQVYDSHZRC-YOEHRIQHSA-N 1 3 352.548 2.651 20 0 FFADHO CCOc1cc(C)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639055 732734994 /nfs/dbraw/zinc/73/49/94/732734994.db2.gz KKKRUEVLTGJUQU-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO CCOc1cc(C)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639055 732734996 /nfs/dbraw/zinc/73/49/96/732734996.db2.gz KKKRUEVLTGJUQU-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO C[NH+](C)Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000665935377 732776136 /nfs/dbraw/zinc/77/61/36/732776136.db2.gz FFRQRWOAPQSGBB-LSDHHAIUSA-N 1 3 360.376 2.671 20 0 FFADHO CC(C)[C@@H](N)C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000666741286 732891300 /nfs/dbraw/zinc/89/13/00/732891300.db2.gz LUVOBIGDPKNFHW-INIZCTEOSA-N 1 3 360.527 2.720 20 0 FFADHO COc1ccc(OC)c([C@@H](O)CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000880517400 732918562 /nfs/dbraw/zinc/91/85/62/732918562.db2.gz QCVYNLSQJOPPGJ-IBGZPJMESA-N 1 3 350.503 2.935 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC[C@@H]1[NH3+] ZINC000669592655 733251582 /nfs/dbraw/zinc/25/15/82/733251582.db2.gz BCTWRGNOIZYMKT-FHLIZLRMSA-N 1 3 364.559 2.780 20 0 FFADHO C[C@@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000883359234 733372655 /nfs/dbraw/zinc/37/26/55/733372655.db2.gz BEOKVIVHDNPDOM-RISCZKNCSA-N 1 3 370.362 2.836 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000672884721 733563989 /nfs/dbraw/zinc/56/39/89/733563989.db2.gz ZKEOJITUZRYCCP-YQQAZPJKSA-N 1 3 350.507 2.738 20 0 FFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cn1 ZINC000684553744 734246386 /nfs/dbraw/zinc/24/63/86/734246386.db2.gz UDFVKICGVNDTID-HIFRSBDPSA-N 1 3 367.335 2.663 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(CC2CCCCC2)CC1 ZINC000727085255 734465014 /nfs/dbraw/zinc/46/50/14/734465014.db2.gz NPIMOHXLRINQOB-UHFFFAOYSA-N 1 3 354.608 2.647 20 0 FFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000893400969 734697902 /nfs/dbraw/zinc/69/79/02/734697902.db2.gz IEEOTIHKGOKRNP-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1(F)F ZINC000894317020 734836243 /nfs/dbraw/zinc/83/62/43/734836243.db2.gz PZYKCGOOCDCGTA-LLLHUVSDSA-N 1 3 352.425 2.541 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1(F)F ZINC000894317020 734836248 /nfs/dbraw/zinc/83/62/48/734836248.db2.gz PZYKCGOOCDCGTA-LLLHUVSDSA-N 1 3 352.425 2.541 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1(F)F ZINC000894317023 734836392 /nfs/dbraw/zinc/83/63/92/734836392.db2.gz PZYKCGOOCDCGTA-XBVQOTNRSA-N 1 3 352.425 2.541 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1(F)F ZINC000894317023 734836393 /nfs/dbraw/zinc/83/63/93/734836393.db2.gz PZYKCGOOCDCGTA-XBVQOTNRSA-N 1 3 352.425 2.541 20 0 FFADHO Cc1ccc(S(=O)(=O)C2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC000895927144 735074700 /nfs/dbraw/zinc/07/47/00/735074700.db2.gz HGEXJPBOQQRERE-UHFFFAOYSA-N 1 3 350.528 2.575 20 0 FFADHO O=C(Nc1ccc(Cl)cn1)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903737179 736161241 /nfs/dbraw/zinc/16/12/41/736161241.db2.gz PYHLEXMLBPTBAV-AWEZNQCLSA-N 1 3 350.894 2.775 20 0 FFADHO COc1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)ccc1OCC(F)(F)F ZINC000903957277 736195078 /nfs/dbraw/zinc/19/50/78/736195078.db2.gz PKKYVSPLICNAIW-LBPRGKRZSA-N 1 3 368.346 2.971 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968443 736196326 /nfs/dbraw/zinc/19/63/26/736196326.db2.gz WMFAHTIBIGJGRP-UPJWGTAASA-N 1 3 354.292 2.611 20 0 FFADHO Cc1cccc(CNC[C@@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000921685711 738022758 /nfs/dbraw/zinc/02/27/58/738022758.db2.gz KTCYPQZGRFVLHG-CQSZACIVSA-N 1 3 354.336 2.731 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922385760 738134995 /nfs/dbraw/zinc/13/49/95/738134995.db2.gz AJMVVZWTTNJWDT-FPAYPSAMSA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922385760 738134997 /nfs/dbraw/zinc/13/49/97/738134997.db2.gz AJMVVZWTTNJWDT-FPAYPSAMSA-N 1 3 351.560 2.911 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3F)C2)[C@H]1C(C)C ZINC000922394701 738136913 /nfs/dbraw/zinc/13/69/13/738136913.db2.gz RNZSOLXAUMODEN-XNFNUYLZSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3F)C2)[C@H]1C(C)C ZINC000922394701 738136917 /nfs/dbraw/zinc/13/69/17/738136917.db2.gz RNZSOLXAUMODEN-XNFNUYLZSA-N 1 3 350.478 2.794 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@H](O)c1ccc(Cl)cc1Cl)CC2 ZINC000923446118 738284744 /nfs/dbraw/zinc/28/47/44/738284744.db2.gz ZYRTYLWEIUBSGW-CJNGLKHVSA-N 1 3 359.297 2.857 20 0 FFADHO CC[NH+]1CCC(N2CCCN(C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)CC1 ZINC000930749619 739157246 /nfs/dbraw/zinc/15/72/46/739157246.db2.gz BIFILFLLQGRATQ-IRXDYDNUSA-N 1 3 363.468 2.588 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3cnc(C)s3)C(C)(C)C2)CC[N@@H+]1C ZINC000995824891 741961829 /nfs/dbraw/zinc/96/18/29/741961829.db2.gz LPCVOMWRHUWMEZ-GVDBMIGSSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3cnc(C)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995824891 741961830 /nfs/dbraw/zinc/96/18/30/741961830.db2.gz LPCVOMWRHUWMEZ-GVDBMIGSSA-N 1 3 364.559 2.508 20 0 FFADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccc(F)cc2Cl)ccn1 ZINC000819196252 742351794 /nfs/dbraw/zinc/35/17/94/742351794.db2.gz QGWROVHXIVADFU-KRWDZBQOSA-N 1 3 367.852 2.638 20 0 FFADHO Cc1nc(CNC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001026496513 742754021 /nfs/dbraw/zinc/75/40/21/742754021.db2.gz GXYUQDMRSQDUCP-BOSFTKNMSA-N 1 3 364.559 2.617 20 0 FFADHO Cc1nc(CNC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001026496513 742754026 /nfs/dbraw/zinc/75/40/26/742754026.db2.gz GXYUQDMRSQDUCP-BOSFTKNMSA-N 1 3 364.559 2.617 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccsc2)C3)CC[N@@H+]1C ZINC001040209040 742998643 /nfs/dbraw/zinc/99/86/43/742998643.db2.gz FGDRCUSNPCUDKF-YVWKXTFCSA-N 1 3 361.555 2.903 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccsc2)C3)CC[N@H+]1C ZINC001040209040 742998649 /nfs/dbraw/zinc/99/86/49/742998649.db2.gz FGDRCUSNPCUDKF-YVWKXTFCSA-N 1 3 361.555 2.903 20 0 FFADHO Cc1cc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001049485406 743465324 /nfs/dbraw/zinc/46/53/24/743465324.db2.gz MZSPXOQDSUMXDL-YSHGAJCASA-N 1 3 361.555 2.962 20 0 FFADHO Cc1cc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001049485406 743465327 /nfs/dbraw/zinc/46/53/27/743465327.db2.gz MZSPXOQDSUMXDL-YSHGAJCASA-N 1 3 361.555 2.962 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCC(F)(F)F)CC3)CC[N@@H+]1C ZINC001050523415 743521977 /nfs/dbraw/zinc/52/19/77/743521977.db2.gz CINQGKYXKKZGHW-LSDHHAIUSA-N 1 3 361.452 2.594 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(CCC(F)(F)F)CC3)CC[N@H+]1C ZINC001050523415 743521985 /nfs/dbraw/zinc/52/19/85/743521985.db2.gz CINQGKYXKKZGHW-LSDHHAIUSA-N 1 3 361.452 2.594 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(C/C=C/Cl)C3)C2)CC[N@@H+]1C ZINC001054135881 745003364 /nfs/dbraw/zinc/00/33/64/745003364.db2.gz LFPCAGLLZVPOIH-JDCMRTAESA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(C/C=C/Cl)C3)C2)CC[N@H+]1C ZINC001054135881 745003370 /nfs/dbraw/zinc/00/33/70/745003370.db2.gz LFPCAGLLZVPOIH-JDCMRTAESA-N 1 3 353.938 2.784 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000828038159 745019742 /nfs/dbraw/zinc/01/97/42/745019742.db2.gz ZBFQPDSUWWWSRZ-INIZCTEOSA-N 1 3 352.910 2.672 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC([NH+]3CCCCC3)CC2)cc(Cl)n1 ZINC000831803234 745586756 /nfs/dbraw/zinc/58/67/56/745586756.db2.gz ICUZMJPWOKQTJR-QGZVFWFLSA-N 1 3 364.921 2.910 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000844187704 747985309 /nfs/dbraw/zinc/98/53/09/747985309.db2.gz KCOGPBKQMWATLO-MAZHCROVSA-N 1 3 352.910 2.622 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000844187704 747985312 /nfs/dbraw/zinc/98/53/12/747985312.db2.gz KCOGPBKQMWATLO-MAZHCROVSA-N 1 3 352.910 2.622 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000844187707 747985407 /nfs/dbraw/zinc/98/54/07/747985407.db2.gz KCOGPBKQMWATLO-WQVCFCJDSA-N 1 3 352.910 2.622 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000844187707 747985410 /nfs/dbraw/zinc/98/54/10/747985410.db2.gz KCOGPBKQMWATLO-WQVCFCJDSA-N 1 3 352.910 2.622 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1c(Cl)cccc1Cl ZINC000849088059 749048145 /nfs/dbraw/zinc/04/81/45/749048145.db2.gz RYAKXGAZTIXDGG-FZMZJTMJSA-N 1 3 359.301 2.625 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(Cl)n1 ZINC000852837271 749962854 /nfs/dbraw/zinc/96/28/54/749962854.db2.gz RWKMJBYCWMBZSC-WBVHZDCISA-N 1 3 364.921 2.672 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccc(C)cc2)C1 ZINC001104809995 970874140 /nfs/dbraw/zinc/87/41/40/970874140.db2.gz UWWIKBBFGINTBV-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088023129 971897436 /nfs/dbraw/zinc/89/74/36/971897436.db2.gz PZXJKUBPDMFJAT-JHNQTMRUSA-N 1 3 353.938 2.640 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088023129 971897440 /nfs/dbraw/zinc/89/74/40/971897440.db2.gz PZXJKUBPDMFJAT-JHNQTMRUSA-N 1 3 353.938 2.640 20 0 FFADHO C[C@H](CC[N@@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1)CC(C)(C)C ZINC001275887778 1013137993 /nfs/dbraw/zinc/13/79/93/1013137993.db2.gz DESWDUSOEWXYEM-WIYYLYMNSA-N 1 3 367.578 2.561 20 0 FFADHO C[C@H](CC[N@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1)CC(C)(C)C ZINC001275887778 1013137996 /nfs/dbraw/zinc/13/79/96/1013137996.db2.gz DESWDUSOEWXYEM-WIYYLYMNSA-N 1 3 367.578 2.561 20 0 FFADHO Nc1n[nH]c(C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC000660565080 972241909 /nfs/dbraw/zinc/24/19/09/972241909.db2.gz MPUVQIHXJUXRRT-UHFFFAOYSA-N 1 3 354.502 2.752 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCC(C)(C)c3ccccc3)C2)C1=O ZINC001275895489 1013154778 /nfs/dbraw/zinc/15/47/78/1013154778.db2.gz ZZSAIJJWAXCFAN-JOCHJYFZSA-N 1 3 357.542 2.840 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCC(C)(C)c3ccccc3)C2)C1=O ZINC001275895489 1013154788 /nfs/dbraw/zinc/15/47/88/1013154788.db2.gz ZZSAIJJWAXCFAN-JOCHJYFZSA-N 1 3 357.542 2.840 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652137598 972374703 /nfs/dbraw/zinc/37/47/03/972374703.db2.gz QRKJAHBYWUGHIV-DNVCBOLYSA-N 1 3 370.472 2.919 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H]3Cc3ccccc3)CC2)CC1 ZINC000654829942 958998354 /nfs/dbraw/zinc/99/83/54/958998354.db2.gz FRAJCYYWOIBRAL-IRLDBZIGSA-N 1 3 369.553 2.930 20 0 FFADHO CCn1nc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1C1CC1 ZINC000654864530 959039753 /nfs/dbraw/zinc/03/97/53/959039753.db2.gz BWVFYGMNCMECFG-UHFFFAOYSA-N 1 3 373.545 2.915 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)[C@@H]3C3CC3)CC2)CC1 ZINC000655092239 959419567 /nfs/dbraw/zinc/41/95/67/959419567.db2.gz HZFSRZRAOKQOJO-FQEVSTJZSA-N 1 3 359.558 2.974 20 0 FFADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@H](CC)CO1 ZINC000655163837 959555774 /nfs/dbraw/zinc/55/57/74/959555774.db2.gz ZBWOZUWBCZWCLN-UYAOXDASSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)c2)CC1 ZINC000655471992 960010923 /nfs/dbraw/zinc/01/09/23/960010923.db2.gz SLWGDJXEVLCCDG-TZIWHRDSSA-N 1 3 356.514 2.545 20 0 FFADHO Cc1ccnc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1Cl ZINC001279378617 960082199 /nfs/dbraw/zinc/08/21/99/960082199.db2.gz CKYGAPKNHYVELZ-IBGZPJMESA-N 1 3 350.938 2.893 20 0 FFADHO CCN(CC)[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655688094 961071599 /nfs/dbraw/zinc/07/15/99/961071599.db2.gz KIDFNHHVFMJHTG-YADHBBJMSA-N 1 3 359.558 2.782 20 0 FFADHO Cc1ccc([C@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000655704743 961118927 /nfs/dbraw/zinc/11/89/27/961118927.db2.gz JZVUBMSMIJGKIF-UXHICEINSA-N 1 3 361.530 2.958 20 0 FFADHO Cc1ccc([C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000655704743 961118931 /nfs/dbraw/zinc/11/89/31/961118931.db2.gz JZVUBMSMIJGKIF-UXHICEINSA-N 1 3 361.530 2.958 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655753123 961244191 /nfs/dbraw/zinc/24/41/91/961244191.db2.gz WAVBLOHTFAXHIS-CZTZKLFOSA-N 1 3 357.542 2.740 20 0 FFADHO C#CCN1CCC(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000050032113 962412137 /nfs/dbraw/zinc/41/21/37/962412137.db2.gz DKNMMNKQKCJBQS-UHFFFAOYSA-N 1 3 367.537 2.880 20 0 FFADHO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001087134677 963077769 /nfs/dbraw/zinc/07/77/69/963077769.db2.gz AXXQZKJXOWXFGX-KPFFTGBYSA-N 1 3 359.514 2.506 20 0 FFADHO CC(C)Oc1ccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873219039 1013432628 /nfs/dbraw/zinc/43/26/28/1013432628.db2.gz SVFUHYKRXNAMFP-UHFFFAOYSA-N 1 3 351.454 2.803 20 0 FFADHO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247778 1013446897 /nfs/dbraw/zinc/44/68/97/1013446897.db2.gz UGDQADNVFASYNH-HNNXBMFYSA-N 1 3 351.454 2.894 20 0 FFADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccc1N(C)C ZINC000873244069 1013444161 /nfs/dbraw/zinc/44/41/61/1013444161.db2.gz PSZNTNUJKPWKMA-OAHLLOKOSA-N 1 3 350.470 2.643 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCc3ccccc3F)C2)CC[N@@H+]1C ZINC000971566629 964178547 /nfs/dbraw/zinc/17/85/47/964178547.db2.gz IBLTVDKPWPTUGV-CMKODMSKSA-N 1 3 361.505 2.631 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCc3ccccc3F)C2)CC[N@H+]1C ZINC000971566629 964178552 /nfs/dbraw/zinc/17/85/52/964178552.db2.gz IBLTVDKPWPTUGV-CMKODMSKSA-N 1 3 361.505 2.631 20 0 FFADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000684390908 964259037 /nfs/dbraw/zinc/25/90/37/964259037.db2.gz KCDRQQZQHPPAHS-VQTJNVASSA-N 1 3 359.514 2.559 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)N2CCCC2)cc1 ZINC000891458784 964344714 /nfs/dbraw/zinc/34/47/14/964344714.db2.gz DNOCBBDZYYEJDG-UFYCRDLUSA-N 1 3 356.514 2.668 20 0 FFADHO CC1(C)CN([C@@H]2CCCNC2=O)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836392 965550258 /nfs/dbraw/zinc/55/02/58/965550258.db2.gz TVEYSLDNMHVOSG-WOJBJXKFSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@H](c2ccccc2)C1 ZINC000647249048 966403799 /nfs/dbraw/zinc/40/37/99/966403799.db2.gz ZZESFORQPWKBPB-YADHBBJMSA-N 1 3 365.521 2.958 20 0 FFADHO Cc1cccnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001087212588 966576236 /nfs/dbraw/zinc/57/62/36/966576236.db2.gz IAESSVMRQSUSPT-QRQLOZEOSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cccnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001087212588 966576244 /nfs/dbraw/zinc/57/62/44/966576244.db2.gz IAESSVMRQSUSPT-QRQLOZEOSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ccncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC[C@H]1C ZINC001087212475 966578011 /nfs/dbraw/zinc/57/80/11/966578011.db2.gz CXJBZJGLQSYYIF-POAQFYNOSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001087214818 966632751 /nfs/dbraw/zinc/63/27/51/966632751.db2.gz PPTPOIZQMDHADZ-KPFFTGBYSA-N 1 3 361.530 2.752 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1cccc(OC)c1 ZINC000655443136 966771610 /nfs/dbraw/zinc/77/16/10/966771610.db2.gz BJRYGQWTQQTIFE-QKNQBKEWSA-N 1 3 359.514 2.584 20 0 FFADHO CC(=O)NCc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000657542265 966851444 /nfs/dbraw/zinc/85/14/44/966851444.db2.gz WKGPGMIKFGSALR-UHFFFAOYSA-N 1 3 355.482 2.553 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001087230831 967116195 /nfs/dbraw/zinc/11/61/95/967116195.db2.gz PBHCCTUQWWXMKX-AEFFLSMTSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc5c(c4)CCC5)C[C@H]32)CC[N@@H+]1C ZINC001075809022 967903592 /nfs/dbraw/zinc/90/35/92/967903592.db2.gz OLQCYRLINXAGJO-IDZYALCFSA-N 1 3 367.537 2.548 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc5c(c4)CCC5)C[C@H]32)CC[N@H+]1C ZINC001075809022 967903600 /nfs/dbraw/zinc/90/36/00/967903600.db2.gz OLQCYRLINXAGJO-IDZYALCFSA-N 1 3 367.537 2.548 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892393285 968212526 /nfs/dbraw/zinc/21/25/26/968212526.db2.gz MYXXXRZGPBUQTM-MRXNPFEDSA-N 1 3 362.518 2.664 20 0 FFADHO COc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1OC(C)C ZINC000685454664 968226186 /nfs/dbraw/zinc/22/61/86/968226186.db2.gz PSNVUQUBVZVNEA-UHFFFAOYSA-N 1 3 363.546 2.940 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CC[N@@H+]1CCC(C)C ZINC001087601375 968321006 /nfs/dbraw/zinc/32/10/06/968321006.db2.gz OBXWZQWRTXHLAO-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CC[N@H+]1CCC(C)C ZINC001087601375 968321012 /nfs/dbraw/zinc/32/10/12/968321012.db2.gz OBXWZQWRTXHLAO-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000658144506 968550686 /nfs/dbraw/zinc/55/06/86/968550686.db2.gz MHSYNYDLXWHCKV-DNVCBOLYSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000658144506 968550695 /nfs/dbraw/zinc/55/06/95/968550695.db2.gz MHSYNYDLXWHCKV-DNVCBOLYSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@@H]1C[C@H](NCCN2C[C@H]3CCCCN3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000658309220 968644377 /nfs/dbraw/zinc/64/43/77/968644377.db2.gz OIQDZMZCNNZCFE-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@H](NCCN2C[C@H]3CCCCN3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000658309220 968644384 /nfs/dbraw/zinc/64/43/84/968644384.db2.gz OIQDZMZCNNZCFE-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CCC1CC1 ZINC001087723425 968747371 /nfs/dbraw/zinc/74/73/71/968747371.db2.gz OXDDMXPJQCUKRE-QKLQHJQFSA-N 1 3 353.526 2.968 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CCC1CC1 ZINC001087723425 968747378 /nfs/dbraw/zinc/74/73/78/968747378.db2.gz OXDDMXPJQCUKRE-QKLQHJQFSA-N 1 3 353.526 2.968 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659034914 969651410 /nfs/dbraw/zinc/65/14/10/969651410.db2.gz GHYVEIZRGRHWOI-RBUKOAKNSA-N 1 3 360.502 2.686 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659034914 969651414 /nfs/dbraw/zinc/65/14/14/969651414.db2.gz GHYVEIZRGRHWOI-RBUKOAKNSA-N 1 3 360.502 2.686 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659038484 969656745 /nfs/dbraw/zinc/65/67/45/969656745.db2.gz RGFJKUKUJKNOFU-YLJYHZDGSA-N 1 3 372.513 2.687 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659042040 969663134 /nfs/dbraw/zinc/66/31/34/969663134.db2.gz RTJLGGMCEGJXGA-YJBOKZPZSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659042040 969663136 /nfs/dbraw/zinc/66/31/36/969663136.db2.gz RTJLGGMCEGJXGA-YJBOKZPZSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659042160 969663683 /nfs/dbraw/zinc/66/36/83/969663683.db2.gz UUHGWOSVYGFDHN-FXAWDEMLSA-N 1 3 374.529 2.837 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659042160 969663688 /nfs/dbraw/zinc/66/36/88/969663688.db2.gz UUHGWOSVYGFDHN-FXAWDEMLSA-N 1 3 374.529 2.837 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2 ZINC001111986909 969745506 /nfs/dbraw/zinc/74/55/06/969745506.db2.gz GIYNWNJMCFHKJS-UNMCSNQZSA-N 1 3 370.541 2.818 20 0 FFADHO CN(CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)Cc1ccccc1 ZINC000659288185 969799716 /nfs/dbraw/zinc/79/97/16/969799716.db2.gz DBNSJDXKDLDNFJ-FQEVSTJZSA-N 1 3 351.494 2.927 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659432469 969919107 /nfs/dbraw/zinc/91/91/07/969919107.db2.gz ZAKRTDQBCRALPF-KFKAGJAMSA-N 1 3 362.493 2.642 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659432469 969919113 /nfs/dbraw/zinc/91/91/13/969919113.db2.gz ZAKRTDQBCRALPF-KFKAGJAMSA-N 1 3 362.493 2.642 20 0 FFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659487310 969977637 /nfs/dbraw/zinc/97/76/37/969977637.db2.gz XKMOFVDHNGFMFC-AABGKKOBSA-N 1 3 374.504 2.587 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cccs2)C1)N(C)C ZINC001104641377 970009925 /nfs/dbraw/zinc/00/99/25/970009925.db2.gz OTWDVTGONPWELD-ZHALLVOQSA-N 1 3 365.587 2.951 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CCNC/C(Cl)=C\Cl ZINC001104676582 970084228 /nfs/dbraw/zinc/08/42/28/970084228.db2.gz QMEGBAXBFHMXKT-GQGCFAHTSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CCNC/C(Cl)=C\Cl ZINC001104676582 970084233 /nfs/dbraw/zinc/08/42/33/970084233.db2.gz QMEGBAXBFHMXKT-GQGCFAHTSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1ccccc1F ZINC001104676477 970084530 /nfs/dbraw/zinc/08/45/30/970084530.db2.gz LTPKLMNIESPXTK-ZIFCJYIRSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001104680685 970090309 /nfs/dbraw/zinc/09/03/09/970090309.db2.gz UQYDQJFYVSXBAZ-SFHLNBCPSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001104681680 970093399 /nfs/dbraw/zinc/09/33/99/970093399.db2.gz NCDLQSKMWSFVQN-KZNAEPCWSA-N 1 3 363.571 2.707 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000892999613 970484569 /nfs/dbraw/zinc/48/45/69/970484569.db2.gz CMAGIAXYEGGDPR-LJQANCHMSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000893059611 970549717 /nfs/dbraw/zinc/54/97/17/970549717.db2.gz GMTMHBURSKURRF-PXNSSMCTSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660937851 973201915 /nfs/dbraw/zinc/20/19/15/973201915.db2.gz IQEBZFDKKMHGCZ-APWZRJJASA-N 1 3 373.545 2.779 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660937851 973201922 /nfs/dbraw/zinc/20/19/22/973201922.db2.gz IQEBZFDKKMHGCZ-APWZRJJASA-N 1 3 373.545 2.779 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661027756 973379172 /nfs/dbraw/zinc/37/91/72/973379172.db2.gz FVLWTVDOYBSNJZ-NZSAHSFTSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661027756 973379180 /nfs/dbraw/zinc/37/91/80/973379180.db2.gz FVLWTVDOYBSNJZ-NZSAHSFTSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1)[NH+]1CCCC1 ZINC001088212704 973679961 /nfs/dbraw/zinc/67/99/61/973679961.db2.gz IZWLDEPWRGRAAH-HDXZQGPQSA-N 1 3 353.938 2.640 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001088212721 973680942 /nfs/dbraw/zinc/68/09/42/973680942.db2.gz KTZNYQLSTIPMHY-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001088212721 973680948 /nfs/dbraw/zinc/68/09/48/973680948.db2.gz KTZNYQLSTIPMHY-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001088212682 973681058 /nfs/dbraw/zinc/68/10/58/973681058.db2.gz IBBDMKJPZINQPR-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001088212682 973681064 /nfs/dbraw/zinc/68/10/64/973681064.db2.gz IBBDMKJPZINQPR-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000652167428 974670678 /nfs/dbraw/zinc/67/06/78/974670678.db2.gz UHIHOECANPAJEO-LAUBAEHRSA-N 1 3 366.509 2.868 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000652174168 974671936 /nfs/dbraw/zinc/67/19/36/974671936.db2.gz KXHGWTNKNWFMKE-VQTJNVASSA-N 1 3 352.482 2.651 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211673328 974762535 /nfs/dbraw/zinc/76/25/35/974762535.db2.gz CNEUFZOQHSAWQU-YGGUBSHESA-N 1 3 361.917 2.807 20 0 FFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211673328 974762540 /nfs/dbraw/zinc/76/25/40/974762540.db2.gz CNEUFZOQHSAWQU-YGGUBSHESA-N 1 3 361.917 2.807 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680127 975069082 /nfs/dbraw/zinc/06/90/82/975069082.db2.gz HXUVOLJBJIXZFU-YIYNPQHWSA-N 1 3 352.482 2.893 20 0 FFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000662151048 975259434 /nfs/dbraw/zinc/25/94/34/975259434.db2.gz DTJLIUFIYDJBPB-OAQYLSRUSA-N 1 3 370.541 2.682 20 0 FFADHO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662153665 975265155 /nfs/dbraw/zinc/26/51/55/975265155.db2.gz BNUKVRYQRXINJX-LJQANCHMSA-N 1 3 359.514 2.553 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cccc(CN4CCCC4)c3)C2)C1 ZINC000653185025 1014252221 /nfs/dbraw/zinc/25/22/21/1014252221.db2.gz VPHZNNXLUHUXCG-NJYVYQBISA-N 1 3 371.525 2.641 20 0 FFADHO C[C@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000424029922 975365417 /nfs/dbraw/zinc/36/54/17/975365417.db2.gz PZHQHHJCGVZMSB-GCJKJVERSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293453 975407845 /nfs/dbraw/zinc/40/78/45/975407845.db2.gz SFEYIRYOOBAQAZ-PXNSSMCTSA-N 1 3 355.526 2.671 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000662707621 975843594 /nfs/dbraw/zinc/84/35/94/975843594.db2.gz LUILRTDLFWWLJC-IBGZPJMESA-N 1 3 361.530 2.841 20 0 FFADHO c1c(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)nc1C1CC1 ZINC000663425760 975863897 /nfs/dbraw/zinc/86/38/97/975863897.db2.gz SMUQFMXGFZVDBQ-HOTGVXAUSA-N 1 3 368.529 2.651 20 0 FFADHO c1c(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)nc1C1CC1 ZINC000663425760 975863910 /nfs/dbraw/zinc/86/39/10/975863910.db2.gz SMUQFMXGFZVDBQ-HOTGVXAUSA-N 1 3 368.529 2.651 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)[C@H]2C)cc1 ZINC001088770665 976077157 /nfs/dbraw/zinc/07/71/57/976077157.db2.gz YKWUXBIDNLXMKA-COPCDDAFSA-N 1 3 369.553 2.991 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)[C@H]2C)cc1 ZINC001088770665 976077174 /nfs/dbraw/zinc/07/71/74/976077174.db2.gz YKWUXBIDNLXMKA-COPCDDAFSA-N 1 3 369.553 2.991 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000898990335 976835620 /nfs/dbraw/zinc/83/56/20/976835620.db2.gz HKHISKKVCAPGKG-OAQYLSRUSA-N 1 3 373.541 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cncc(C)c2)CC3)CC[N@@H+]1C ZINC000990758460 976911475 /nfs/dbraw/zinc/91/14/75/976911475.db2.gz ADCXPFAZVITGHK-CUXKYVRBSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cncc(C)c2)CC3)CC[N@H+]1C ZINC000990758460 976911483 /nfs/dbraw/zinc/91/14/83/976911483.db2.gz ADCXPFAZVITGHK-CUXKYVRBSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cccnc2C)CC3)CC[N@@H+]1C ZINC000990759537 976931205 /nfs/dbraw/zinc/93/12/05/976931205.db2.gz CPRKYJMSPIVATM-IIZPIQPGSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cccnc2C)CC3)CC[N@H+]1C ZINC000990759537 976931218 /nfs/dbraw/zinc/93/12/18/976931218.db2.gz CPRKYJMSPIVATM-IIZPIQPGSA-N 1 3 370.541 2.734 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000899127689 976951018 /nfs/dbraw/zinc/95/10/18/976951018.db2.gz LITZGZOVPFFIEE-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000899127689 976951028 /nfs/dbraw/zinc/95/10/28/976951028.db2.gz LITZGZOVPFFIEE-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793523 977039867 /nfs/dbraw/zinc/03/98/67/977039867.db2.gz DDSDHUCWCJGDIP-GJZGRUSLSA-N 1 3 359.518 2.605 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)Nc3cnc4c(c3)CNCC4)CC2)CC1 ZINC000667800386 977062071 /nfs/dbraw/zinc/06/20/71/977062071.db2.gz DWENCEZLTCHNLS-UHFFFAOYSA-N 1 3 371.529 2.892 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000899562983 977238799 /nfs/dbraw/zinc/23/87/99/977238799.db2.gz OOFJOPNGXPALAT-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO COc1cc2c(c(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000261679645 977498841 /nfs/dbraw/zinc/49/88/41/977498841.db2.gz AGKHZRDINYPASB-IKGGRYGDSA-N 1 3 362.514 2.998 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001112123544 977961914 /nfs/dbraw/zinc/96/19/14/977961914.db2.gz OIGXEOUJCWYRMW-NEXFUWMNSA-N 1 3 363.468 2.742 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ccc(C)c(F)c3)C2)CC[N@@H+]1C ZINC001028551907 978041403 /nfs/dbraw/zinc/04/14/03/978041403.db2.gz BBGVRBNSQCDZPN-WSTZPKSXSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ccc(C)c(F)c3)C2)CC[N@H+]1C ZINC001028551907 978041409 /nfs/dbraw/zinc/04/14/09/978041409.db2.gz BBGVRBNSQCDZPN-WSTZPKSXSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(CN[C@H]2CCCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC001088316616 979129987 /nfs/dbraw/zinc/12/99/87/979129987.db2.gz FALURQLVHFARHC-SOLBZPMBSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1cc(CN[C@H]2CCCCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC001088316616 979129993 /nfs/dbraw/zinc/12/99/93/979129993.db2.gz FALURQLVHFARHC-SOLBZPMBSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001076175543 979184594 /nfs/dbraw/zinc/18/45/94/979184594.db2.gz JUXCRIRRFKGVBX-RJSZPYAZSA-N 1 3 367.537 2.963 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001076175543 979184599 /nfs/dbraw/zinc/18/45/99/979184599.db2.gz JUXCRIRRFKGVBX-RJSZPYAZSA-N 1 3 367.537 2.963 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC1 ZINC001076205113 979222483 /nfs/dbraw/zinc/22/24/83/979222483.db2.gz ORNQBYITJLQYKG-HNEQCIKNSA-N 1 3 353.510 2.574 20 0 FFADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC1 ZINC001076325012 979368191 /nfs/dbraw/zinc/36/81/91/979368191.db2.gz MEVJTNKZGGPXRY-OFMSAZMGSA-N 1 3 367.537 2.964 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1(C)C ZINC000877452707 1014588777 /nfs/dbraw/zinc/58/87/77/1014588777.db2.gz QRRYPCWONPKCKF-VZRKHXGSSA-N 1 3 365.562 2.665 20 0 FFADHO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665969131 979641644 /nfs/dbraw/zinc/64/16/44/979641644.db2.gz FLTLHDVSLARXJV-AWEZNQCLSA-N 1 3 372.460 2.990 20 0 FFADHO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665969131 979641649 /nfs/dbraw/zinc/64/16/49/979641649.db2.gz FLTLHDVSLARXJV-AWEZNQCLSA-N 1 3 372.460 2.990 20 0 FFADHO Cc1ccncc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866099 1014602240 /nfs/dbraw/zinc/60/22/40/1014602240.db2.gz ALSHTELIDNPSRZ-YZGWKJHDSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ccncc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866099 1014602245 /nfs/dbraw/zinc/60/22/45/1014602245.db2.gz ALSHTELIDNPSRZ-YZGWKJHDSA-N 1 3 358.530 2.591 20 0 FFADHO [NH3+]Cc1ccccc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000904626244 980314403 /nfs/dbraw/zinc/31/44/03/980314403.db2.gz JKWWBFDHOLXFGL-UHFFFAOYSA-N 1 3 353.470 2.574 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000666330582 980723784 /nfs/dbraw/zinc/72/37/84/980723784.db2.gz SZPNSDITCHJRCY-HNNXBMFYSA-N 1 3 362.518 2.794 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000666330582 980723786 /nfs/dbraw/zinc/72/37/86/980723786.db2.gz SZPNSDITCHJRCY-HNNXBMFYSA-N 1 3 362.518 2.794 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)CC1 ZINC000877747639 1014708262 /nfs/dbraw/zinc/70/82/62/1014708262.db2.gz VRVPEOAOODQFLQ-UHFFFAOYSA-N 1 3 371.447 2.840 20 0 FFADHO CC(C)(CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)N1CCOCC1 ZINC000877817546 1014740888 /nfs/dbraw/zinc/74/08/88/1014740888.db2.gz SSEWMOCYIQNFSA-RBBKRZOGSA-N 1 3 357.542 2.551 20 0 FFADHO CC(C)(CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)N1CCOCC1 ZINC000877817546 1014740902 /nfs/dbraw/zinc/74/09/02/1014740902.db2.gz SSEWMOCYIQNFSA-RBBKRZOGSA-N 1 3 357.542 2.551 20 0 FFADHO COc1cc2c(c(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000237387191 981541432 /nfs/dbraw/zinc/54/14/32/981541432.db2.gz AGKHZRDINYPASB-ULQDDVLXSA-N 1 3 362.514 2.998 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)C2)C1 ZINC000650706701 1014746826 /nfs/dbraw/zinc/74/68/26/1014746826.db2.gz QURKRGOXCVYYPD-POAQFYNOSA-N 1 3 358.461 2.730 20 0 FFADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366604 981916571 /nfs/dbraw/zinc/91/65/71/981916571.db2.gz PUKUXODKFRUHOZ-UHFFFAOYSA-N 1 3 370.497 2.618 20 0 FFADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000910366604 981916576 /nfs/dbraw/zinc/91/65/76/981916576.db2.gz PUKUXODKFRUHOZ-UHFFFAOYSA-N 1 3 370.497 2.618 20 0 FFADHO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237793516 982076367 /nfs/dbraw/zinc/07/63/67/982076367.db2.gz XPQKZONSWPGHKX-FUHWJXTLSA-N 1 3 369.431 2.699 20 0 FFADHO C[C@@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000760484438 982432849 /nfs/dbraw/zinc/43/28/49/982432849.db2.gz FKCCCYLQYSARAI-GOSISDBHSA-N 1 3 374.598 2.799 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=S)NCC1CC[NH+](C)CC1 ZINC000760492129 982444582 /nfs/dbraw/zinc/44/45/82/982444582.db2.gz HATDVZKLXAJICD-GOSISDBHSA-N 1 3 374.598 2.799 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cc(C)ccc2F)C2CC2)CC[N@@H+]1C ZINC001483564808 984091100 /nfs/dbraw/zinc/09/11/00/984091100.db2.gz RYXOBUQGZZXBDQ-YSIASYRMSA-N 1 3 361.505 2.849 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cc(C)ccc2F)C2CC2)CC[N@H+]1C ZINC001483564808 984091109 /nfs/dbraw/zinc/09/11/09/984091109.db2.gz RYXOBUQGZZXBDQ-YSIASYRMSA-N 1 3 361.505 2.849 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC([NH+]4CCC4)CC3)cc2)CC1 ZINC000912880579 984137778 /nfs/dbraw/zinc/13/77/78/984137778.db2.gz YRFIFKSTEJGZON-UHFFFAOYSA-N 1 3 370.541 2.527 20 0 FFADHO C[C@H]1CN(Cc2ccc(O)cc2I)CCC[C@@H]1C[NH3+] ZINC001206011144 1032108264 /nfs/dbraw/zinc/10/82/64/1032108264.db2.gz AGJQHSLNNWJALB-NWDGAFQWSA-N 1 3 374.266 2.804 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000913096402 984182500 /nfs/dbraw/zinc/18/25/00/984182500.db2.gz AERLGAINHISSAF-UTKZUKDTSA-N 1 3 355.526 2.888 20 0 FFADHO CO[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107408655 984514041 /nfs/dbraw/zinc/51/40/41/984514041.db2.gz CIIUHSCWQCIAHO-WAOWUJCRSA-N 1 3 365.562 2.647 20 0 FFADHO CO[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107408655 984514047 /nfs/dbraw/zinc/51/40/47/984514047.db2.gz CIIUHSCWQCIAHO-WAOWUJCRSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOCC)CC2 ZINC001107425935 984526798 /nfs/dbraw/zinc/52/67/98/984526798.db2.gz ALQGEWHFLWYQKY-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOCC)CC2 ZINC001107425935 984526804 /nfs/dbraw/zinc/52/68/04/984526804.db2.gz ALQGEWHFLWYQKY-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2 ZINC001107424158 984532202 /nfs/dbraw/zinc/53/22/02/984532202.db2.gz AIKXGFRVQVNNJP-GGNZZIJHSA-N 1 3 359.917 2.780 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001107424158 984532206 /nfs/dbraw/zinc/53/22/06/984532206.db2.gz AIKXGFRVQVNNJP-GGNZZIJHSA-N 1 3 359.917 2.780 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483951 984650180 /nfs/dbraw/zinc/65/01/80/984650180.db2.gz UPDZXLNXYYNYRA-IHPCNDPISA-N 1 3 358.530 2.982 20 0 FFADHO CCCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000669483844 984651746 /nfs/dbraw/zinc/65/17/46/984651746.db2.gz PCICHFFSTXJBEP-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)N(C)C)cc1 ZINC000669586979 984865394 /nfs/dbraw/zinc/86/53/94/984865394.db2.gz GAPVVTZXGMDRAN-NRSPTQNISA-N 1 3 372.557 2.881 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1cc2ccccc2o1 ZINC001088980992 985735287 /nfs/dbraw/zinc/73/52/87/985735287.db2.gz YGXBMLHTYJMRDF-MDZRGWNJSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1cc2ccccc2o1 ZINC001088980992 985735302 /nfs/dbraw/zinc/73/53/02/985735302.db2.gz YGXBMLHTYJMRDF-MDZRGWNJSA-N 1 3 355.482 2.854 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000999210794 986405056 /nfs/dbraw/zinc/40/50/56/986405056.db2.gz VMLAPJHMHVMZMD-GBESFXJTSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000999210794 986405058 /nfs/dbraw/zinc/40/50/58/986405058.db2.gz VMLAPJHMHVMZMD-GBESFXJTSA-N 1 3 365.468 2.776 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206027243 1032113793 /nfs/dbraw/zinc/11/37/93/1032113793.db2.gz VGQBPQCYCLPZRC-XPKDBEDXSA-N 1 3 352.425 2.958 20 0 FFADHO COc1ccc(C(C)C)cc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000655938121 986710096 /nfs/dbraw/zinc/71/00/96/986710096.db2.gz NIRRIDXDOOKMOX-XLIONFOSSA-N 1 3 373.541 2.899 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)CN(C)C ZINC000922139709 987733041 /nfs/dbraw/zinc/73/30/41/987733041.db2.gz KEKKKZPSXVMLRY-IAGOWNOFSA-N 1 3 369.550 2.722 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255889 987769075 /nfs/dbraw/zinc/76/90/75/987769075.db2.gz NPZHTFLXOWDYCS-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC001106339869 987982534 /nfs/dbraw/zinc/98/25/34/987982534.db2.gz CRSNNJGSWWMDNE-CHWSQXEVSA-N 1 3 350.334 2.720 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN2C(C)C)sn1 ZINC001085196523 988265762 /nfs/dbraw/zinc/26/57/62/988265762.db2.gz CJOFHIZGDFVISU-KZNAEPCWSA-N 1 3 364.559 2.841 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922390793 988547207 /nfs/dbraw/zinc/54/72/07/988547207.db2.gz OWFZQFOFFYQIGY-ZHHKINOHSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922390793 988547220 /nfs/dbraw/zinc/54/72/20/988547220.db2.gz OWFZQFOFFYQIGY-ZHHKINOHSA-N 1 3 368.525 2.750 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccnn3CC3CCC3)C2)[C@@H]1C(C)C ZINC000922396135 988564103 /nfs/dbraw/zinc/56/41/03/988564103.db2.gz VFHHVVOTCXZEER-MXEMCNAFSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccnn3CC3CCC3)C2)[C@@H]1C(C)C ZINC000922396135 988564112 /nfs/dbraw/zinc/56/41/12/988564112.db2.gz VFHHVVOTCXZEER-MXEMCNAFSA-N 1 3 360.546 2.643 20 0 FFADHO Cc1nc([C@H]2OCC[C@H]2C[NH2+]CC(C)(C)CN(C)Cc2ccccc2)n[nH]1 ZINC000922407071 988586051 /nfs/dbraw/zinc/58/60/51/988586051.db2.gz KNNVSTOOUJYRLP-OALUTQOASA-N 1 3 371.529 2.939 20 0 FFADHO Cc1ncccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672499 988621181 /nfs/dbraw/zinc/62/11/81/988621181.db2.gz ZOECTMKZZVIQLB-VQIMIIECSA-N 1 3 360.546 2.552 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOC2CCC2)[C@H](C)C1 ZINC001106729009 988794421 /nfs/dbraw/zinc/79/44/21/988794421.db2.gz CQACGPLEFKFGRW-GGPKGHCWSA-N 1 3 365.562 2.503 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cncs2)[C@H](C)C1 ZINC001106775564 989019666 /nfs/dbraw/zinc/01/96/66/989019666.db2.gz PRFIUQMDGFPRPM-IAGOWNOFSA-N 1 3 366.575 2.839 20 0 FFADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922890681 989111397 /nfs/dbraw/zinc/11/13/97/989111397.db2.gz IDLPUNJNIGVSQO-UHFFFAOYSA-N 1 3 370.497 2.664 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000915897991 989704515 /nfs/dbraw/zinc/70/45/15/989704515.db2.gz NPEQFONXFQDBNX-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140777 989913389 /nfs/dbraw/zinc/91/33/89/989913389.db2.gz VGSJHWFOUCEZPS-KDOFPFPSSA-N 1 3 367.449 2.951 20 0 FFADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140777 989913398 /nfs/dbraw/zinc/91/33/98/989913398.db2.gz VGSJHWFOUCEZPS-KDOFPFPSSA-N 1 3 367.449 2.951 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3ccc4c(c3)COC4)C2)CC[N@@H+]1C ZINC001034214229 989970812 /nfs/dbraw/zinc/97/08/12/989970812.db2.gz JIOYFKZSMZWQQY-TYCQWZJGSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3ccc4c(c3)COC4)C2)CC[N@H+]1C ZINC001034214229 989970822 /nfs/dbraw/zinc/97/08/22/989970822.db2.gz JIOYFKZSMZWQQY-TYCQWZJGSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000675742834 990369031 /nfs/dbraw/zinc/36/90/31/990369031.db2.gz WZUALQYEURECQQ-TZIWHRDSSA-N 1 3 358.574 2.655 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3c(cccc3OC)C2)[C@H](C)C1 ZINC000675811773 990388259 /nfs/dbraw/zinc/38/82/59/990388259.db2.gz IFTXFOMAESONHS-NEWSRXKRSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3c(cccc3OC)C2)[C@H](C)C1 ZINC000675811773 990388265 /nfs/dbraw/zinc/38/82/65/990388265.db2.gz IFTXFOMAESONHS-NEWSRXKRSA-N 1 3 362.514 2.725 20 0 FFADHO COc1cc(CN(C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)ccc1OC(F)F ZINC000923302063 991048460 /nfs/dbraw/zinc/04/84/60/991048460.db2.gz PWYUHVCMFGQLEV-OAHLLOKOSA-N 1 3 368.424 2.640 20 0 FFADHO C[C@@H]1CN(CC(=O)NCc2ccccc2OC2CCCC2)CC[C@H]1C[NH3+] ZINC000923497185 991189817 /nfs/dbraw/zinc/18/98/17/991189817.db2.gz GLMIAZJRRQDCKX-SJORKVTESA-N 1 3 359.514 2.541 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)[C@H](C)C1 ZINC001106907818 991435748 /nfs/dbraw/zinc/43/57/48/991435748.db2.gz DVWAAHZPNIYPFR-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCC3CC[NH2+]CC3)c(C)c2)CC1 ZINC000652563740 1015631486 /nfs/dbraw/zinc/63/14/86/1015631486.db2.gz YYIYNILCGQQXSC-UHFFFAOYSA-N 1 3 373.545 2.648 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccc(C)cc2)[C@H](C)C1 ZINC001106910772 991530865 /nfs/dbraw/zinc/53/08/65/991530865.db2.gz NVRLSWPBOQEYNB-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079158947 991862098 /nfs/dbraw/zinc/86/20/98/991862098.db2.gz BZYDWHIJXKPJAQ-LSTHTHJFSA-N 1 3 361.505 2.852 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001079187497 991897348 /nfs/dbraw/zinc/89/73/48/991897348.db2.gz JQZXDPUXIVRVHI-VQTJNVASSA-N 1 3 361.505 2.850 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000382732413 991992590 /nfs/dbraw/zinc/99/25/90/991992590.db2.gz CTGJINGDJKBHCI-DENIHFKCSA-N 1 3 363.505 2.854 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000382732413 991992605 /nfs/dbraw/zinc/99/26/05/991992605.db2.gz CTGJINGDJKBHCI-DENIHFKCSA-N 1 3 363.505 2.854 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CC2)C1)N(C)C ZINC001079309696 992011411 /nfs/dbraw/zinc/01/14/11/992011411.db2.gz NABMYHXBLSRCAC-DFQSSKMNSA-N 1 3 361.505 2.706 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CCCC2)C1 ZINC001079311764 992012026 /nfs/dbraw/zinc/01/20/26/992012026.db2.gz AWXJMBGSAJAHTA-AZUAARDMSA-N 1 3 370.472 2.866 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)cs1 ZINC001079844884 992485146 /nfs/dbraw/zinc/48/51/46/992485146.db2.gz FYYLLGDGEUCLNV-AYOQOUSVSA-N 1 3 363.571 2.971 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)cs1 ZINC001079844884 992485150 /nfs/dbraw/zinc/48/51/50/992485150.db2.gz FYYLLGDGEUCLNV-AYOQOUSVSA-N 1 3 363.571 2.971 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001079847698 992527208 /nfs/dbraw/zinc/52/72/08/992527208.db2.gz SPAJNUOCBCJHNP-AHRSYUTCSA-N 1 3 365.562 2.503 20 0 FFADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001079847698 992527218 /nfs/dbraw/zinc/52/72/18/992527218.db2.gz SPAJNUOCBCJHNP-AHRSYUTCSA-N 1 3 365.562 2.503 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001080382454 993000672 /nfs/dbraw/zinc/00/06/72/993000672.db2.gz MEUSXSSNWJPZAO-DYESRHJHSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNC/C(Cl)=C\Cl ZINC001107030716 993216127 /nfs/dbraw/zinc/21/61/27/993216127.db2.gz SZWUBPWNKUDGDF-LCYSWIRJSA-N 1 3 362.345 2.866 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)[C@H](C)C1 ZINC001107042244 993295736 /nfs/dbraw/zinc/29/57/36/993295736.db2.gz CDVJZVLVLLTVJN-MDYRTPRTSA-N 1 3 361.505 2.837 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080934807 993489068 /nfs/dbraw/zinc/48/90/68/993489068.db2.gz BQIDIYDOCYATIO-XOKHGSTOSA-N 1 3 351.441 2.512 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080934807 993489072 /nfs/dbraw/zinc/48/90/72/993489072.db2.gz BQIDIYDOCYATIO-XOKHGSTOSA-N 1 3 351.441 2.512 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080934801 993489455 /nfs/dbraw/zinc/48/94/55/993489455.db2.gz BNXWLVIRJRHEMF-MAODMQOUSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080934801 993489460 /nfs/dbraw/zinc/48/94/60/993489460.db2.gz BNXWLVIRJRHEMF-MAODMQOUSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3cn(C)cn3)cc2)C[C@H]1C ZINC000808402416 994113456 /nfs/dbraw/zinc/11/34/56/994113456.db2.gz BBMWQFCDDAPQBO-HDICACEKSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3cn(C)cn3)cc2)C[C@H]1C ZINC000808402416 994113461 /nfs/dbraw/zinc/11/34/61/994113461.db2.gz BBMWQFCDDAPQBO-HDICACEKSA-N 1 3 356.514 2.719 20 0 FFADHO O=C(c1ccc(CN2CCCCC2)o1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001170559465 994202579 /nfs/dbraw/zinc/20/25/79/994202579.db2.gz SADWMGVVQRMKLH-IBGZPJMESA-N 1 3 367.493 2.922 20 0 FFADHO C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCCN(C)CC[NH+](C)C ZINC000808781858 994259024 /nfs/dbraw/zinc/25/90/24/994259024.db2.gz UZCVHAVKKWYYJC-GOSISDBHSA-N 1 3 370.541 2.982 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001131512138 994355354 /nfs/dbraw/zinc/35/53/54/994355354.db2.gz PABZRZZLUJDTNL-CTNGQTDRSA-N 1 3 365.562 2.647 20 0 FFADHO CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001131564703 994405427 /nfs/dbraw/zinc/40/54/27/994405427.db2.gz RCJPNIKMHBPPAR-QUCCMNQESA-N 1 3 367.578 2.750 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604799 994437266 /nfs/dbraw/zinc/43/72/66/994437266.db2.gz HJRVXFDDTUFQCI-CTNGQTDRSA-N 1 3 365.562 2.648 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608526 994455330 /nfs/dbraw/zinc/45/53/30/994455330.db2.gz DAJSBNDWDGAKBI-CTNGQTDRSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1cc2ccccc2o1 ZINC001082515341 994797619 /nfs/dbraw/zinc/79/76/19/994797619.db2.gz JYNKJDLNUSNUHK-UIAACRFSSA-N 1 3 367.493 2.711 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001082557430 994927747 /nfs/dbraw/zinc/92/77/47/994927747.db2.gz DJFUGSUNFIGDBC-NIKGAXFTSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001082562042 994947284 /nfs/dbraw/zinc/94/72/84/994947284.db2.gz JLGISMYTGMXAED-DNVCBOLYSA-N 1 3 355.482 2.854 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001082724239 995359670 /nfs/dbraw/zinc/35/96/70/995359670.db2.gz RIEDZZMCRIEOQZ-NSISKUIASA-N 1 3 360.546 2.728 20 0 FFADHO COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)ccc1C ZINC001082724862 995361631 /nfs/dbraw/zinc/36/16/31/995361631.db2.gz QFRLHKYHSKUJMB-YVWKXTFCSA-N 1 3 361.530 2.526 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001082741218 995395662 /nfs/dbraw/zinc/39/56/62/995395662.db2.gz SRURFHBUJKFFOH-JTDSTZFVSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccccc1OC1CC1 ZINC001082740683 995395883 /nfs/dbraw/zinc/39/58/83/995395883.db2.gz CKVRTVVEKFKPAF-FUHIMQAGSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1ccccc1F ZINC001082744011 995403419 /nfs/dbraw/zinc/40/34/19/995403419.db2.gz NUSLTCJKHNJYMO-VQIMIIECSA-N 1 3 361.505 2.537 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C)s1 ZINC001082782585 995489999 /nfs/dbraw/zinc/48/99/99/995489999.db2.gz GKHNPMGUHWBCJX-OLMNPRSZSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C)s1 ZINC001082782585 995490002 /nfs/dbraw/zinc/49/00/02/995490002.db2.gz GKHNPMGUHWBCJX-OLMNPRSZSA-N 1 3 364.559 2.651 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001082943495 995881924 /nfs/dbraw/zinc/88/19/24/995881924.db2.gz KQGYMKIYFTYGIK-HBGVWJBISA-N 1 3 368.525 2.979 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)sn1 ZINC001082944026 995882304 /nfs/dbraw/zinc/88/23/04/995882304.db2.gz AAFREAGQYBQQJA-ZTFGCOKTSA-N 1 3 364.559 2.508 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C3CC3)cc2)C1 ZINC001096538909 1016005781 /nfs/dbraw/zinc/00/57/81/1016005781.db2.gz RAPOABPWMIBYFI-CGXNFDGLSA-N 1 3 353.510 2.737 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C3CC3)cc2)C1 ZINC001096538909 1016005791 /nfs/dbraw/zinc/00/57/91/1016005791.db2.gz RAPOABPWMIBYFI-CGXNFDGLSA-N 1 3 353.510 2.737 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2cccc(F)c2)CC[N@@H+]1C ZINC001049482306 1016008079 /nfs/dbraw/zinc/00/80/79/1016008079.db2.gz MEWIBEFCYATZPC-HUYLIWGRSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2cccc(F)c2)CC[N@H+]1C ZINC001049482306 1016008087 /nfs/dbraw/zinc/00/80/87/1016008087.db2.gz MEWIBEFCYATZPC-HUYLIWGRSA-N 1 3 359.489 2.731 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001049483209 1016011781 /nfs/dbraw/zinc/01/17/81/1016011781.db2.gz SYKWQUYENCCAFU-CWJKEVGVSA-N 1 3 370.541 2.604 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1 ZINC001049483209 1016011790 /nfs/dbraw/zinc/01/17/90/1016011790.db2.gz SYKWQUYENCCAFU-CWJKEVGVSA-N 1 3 370.541 2.604 20 0 FFADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084346523 996475457 /nfs/dbraw/zinc/47/54/57/996475457.db2.gz ODIQQSUXSKHCSO-ZHALLVOQSA-N 1 3 351.510 2.533 20 0 FFADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084346523 996475460 /nfs/dbraw/zinc/47/54/60/996475460.db2.gz ODIQQSUXSKHCSO-ZHALLVOQSA-N 1 3 351.510 2.533 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084388778 996530466 /nfs/dbraw/zinc/53/04/66/996530466.db2.gz FGOAELONARWHPD-BHIYHBOVSA-N 1 3 361.555 2.698 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084388778 996530469 /nfs/dbraw/zinc/53/04/69/996530469.db2.gz FGOAELONARWHPD-BHIYHBOVSA-N 1 3 361.555 2.698 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC(F)(F)CC3)C[C@H]21)N(C)C ZINC001084639210 996744819 /nfs/dbraw/zinc/74/48/19/996744819.db2.gz JKXUUBYHOVUKOB-KZNAEPCWSA-N 1 3 371.516 2.931 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC(F)(F)CC3)C[C@H]21)N(C)C ZINC001084639210 996744823 /nfs/dbraw/zinc/74/48/23/996744823.db2.gz JKXUUBYHOVUKOB-KZNAEPCWSA-N 1 3 371.516 2.931 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3CC[N@H+](CCCc4ccsc4)C[C@H]32)C1 ZINC001084662671 996774101 /nfs/dbraw/zinc/77/41/01/996774101.db2.gz SWLBEABXBRUZTD-QXAKKESOSA-N 1 3 361.555 2.555 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3CC[N@@H+](CCCc4ccsc4)C[C@H]32)C1 ZINC001084662671 996774106 /nfs/dbraw/zinc/77/41/06/996774106.db2.gz SWLBEABXBRUZTD-QXAKKESOSA-N 1 3 361.555 2.555 20 0 FFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675478 996814633 /nfs/dbraw/zinc/81/46/33/996814633.db2.gz JBIRTIPGPZLXQC-YUMYIRISSA-N 1 3 367.537 2.831 20 0 FFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675478 996814644 /nfs/dbraw/zinc/81/46/44/996814644.db2.gz JBIRTIPGPZLXQC-YUMYIRISSA-N 1 3 367.537 2.831 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844223718 997713976 /nfs/dbraw/zinc/71/39/76/997713976.db2.gz AJFXXARVNKIKCS-OALUTQOASA-N 1 3 370.541 2.937 20 0 FFADHO O=C1O[C@@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CN1C1CC1 ZINC000844331147 997787476 /nfs/dbraw/zinc/78/74/76/997787476.db2.gz WREHRTDGRYLDDQ-FPOVZHCZSA-N 1 3 355.482 2.568 20 0 FFADHO O=C1O[C@@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CN1C1CC1 ZINC000844331147 997787487 /nfs/dbraw/zinc/78/74/87/997787487.db2.gz WREHRTDGRYLDDQ-FPOVZHCZSA-N 1 3 355.482 2.568 20 0 FFADHO COc1cccc(CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]2CCCO2)c1 ZINC000903727303 1016157254 /nfs/dbraw/zinc/15/72/54/1016157254.db2.gz SBNHHICQARZFAO-LEWJYISDSA-N 1 3 374.525 2.835 20 0 FFADHO CCO[C@@H]1C[N@H+](CC[C@@H]2CCCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844411216 997893521 /nfs/dbraw/zinc/89/35/21/997893521.db2.gz ZILPQSUCBDRAKC-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO CCO[C@@H]1C[N@@H+](CC[C@@H]2CCCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844411216 997893528 /nfs/dbraw/zinc/89/35/28/997893528.db2.gz ZILPQSUCBDRAKC-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)c1cccc(CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001091036121 998251488 /nfs/dbraw/zinc/25/14/88/998251488.db2.gz URZBXUZZTBARAX-JVGQSUMCSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)c1cccc(CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001091036121 998251497 /nfs/dbraw/zinc/25/14/97/998251497.db2.gz URZBXUZZTBARAX-JVGQSUMCSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789136 1016200172 /nfs/dbraw/zinc/20/01/72/1016200172.db2.gz PTKXWXIBMCFFJM-MAUKXSAKSA-N 1 3 359.514 2.712 20 0 FFADHO CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273247913 998461595 /nfs/dbraw/zinc/46/15/95/998461595.db2.gz AXXVWTIVBNOMCC-RXVVDRJESA-N 1 3 358.530 2.561 20 0 FFADHO CC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273247913 998461599 /nfs/dbraw/zinc/46/15/99/998461599.db2.gz AXXVWTIVBNOMCC-RXVVDRJESA-N 1 3 358.530 2.561 20 0 FFADHO CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273247911 998461677 /nfs/dbraw/zinc/46/16/77/998461677.db2.gz AXXVWTIVBNOMCC-GHTZIAJQSA-N 1 3 358.530 2.561 20 0 FFADHO CC[N@H+]1CCC[C@H](C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273247911 998461682 /nfs/dbraw/zinc/46/16/82/998461682.db2.gz AXXVWTIVBNOMCC-GHTZIAJQSA-N 1 3 358.530 2.561 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085032384 998730509 /nfs/dbraw/zinc/73/05/09/998730509.db2.gz DMAGDMKKSOSCNV-CJKBSFIFSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085032384 998730513 /nfs/dbraw/zinc/73/05/13/998730513.db2.gz DMAGDMKKSOSCNV-CJKBSFIFSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(COc3ccccc3)CC2)cnn1C ZINC000903885737 1016287297 /nfs/dbraw/zinc/28/72/97/1016287297.db2.gz KFVNFGDXKOFVGE-LJQANCHMSA-N 1 3 356.514 2.637 20 0 FFADHO COc1ccccc1CC1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903903027 1016297591 /nfs/dbraw/zinc/29/75/91/1016297591.db2.gz DMELHLZZVPVAGW-LJQANCHMSA-N 1 3 370.541 2.809 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1)N1CCCC1 ZINC001085295328 999312537 /nfs/dbraw/zinc/31/25/37/999312537.db2.gz AYTMCJLVOOPENB-HZPDHXFCSA-N 1 3 357.489 2.923 20 0 FFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC001085331395 999374972 /nfs/dbraw/zinc/37/49/72/999374972.db2.gz IIFDQOCANJRLCG-NWANDNLSSA-N 1 3 370.950 2.798 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1)N1CCCCCC1 ZINC001085352695 999406669 /nfs/dbraw/zinc/40/66/69/999406669.db2.gz SMYWXXNNBDUJDO-MISYRCLQSA-N 1 3 358.530 2.863 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000735653896 999465584 /nfs/dbraw/zinc/46/55/84/999465584.db2.gz WRCYHJZIHHHTAT-PMACEKPBSA-N 1 3 366.594 2.516 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(Cl)ccc2F)C1 ZINC001085422544 999496875 /nfs/dbraw/zinc/49/68/75/999496875.db2.gz WYGVYXGMOSAKHM-FSPWUOQZSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(Cl)ccc2F)C1 ZINC001085422544 999496876 /nfs/dbraw/zinc/49/68/76/999496876.db2.gz WYGVYXGMOSAKHM-FSPWUOQZSA-N 1 3 367.896 2.948 20 0 FFADHO Cc1ccccc1CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085606702 999588048 /nfs/dbraw/zinc/58/80/48/999588048.db2.gz VFEPPIZQPYXSGX-HLAWJBBLSA-N 1 3 357.542 2.801 20 0 FFADHO Cc1ccccc1CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085606702 999588052 /nfs/dbraw/zinc/58/80/52/999588052.db2.gz VFEPPIZQPYXSGX-HLAWJBBLSA-N 1 3 357.542 2.801 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+]3CCC[C@H]3C)c(C)c2)CC1 ZINC000743813886 999832615 /nfs/dbraw/zinc/83/26/15/999832615.db2.gz YNMYSTYSECSABT-GOSISDBHSA-N 1 3 373.545 2.743 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+]3CCC[C@H]3C)c(C)c2)CC1 ZINC000743813886 999832617 /nfs/dbraw/zinc/83/26/17/999832617.db2.gz YNMYSTYSECSABT-GOSISDBHSA-N 1 3 373.545 2.743 20 0 FFADHO CC(C)N1CCN(Cc2ccc(N(CC[NH3+])c3cccnc3)c(F)c2)CC1 ZINC001168838924 1000001137 /nfs/dbraw/zinc/00/11/37/1000001137.db2.gz PQMRCVGSQMKUFF-UHFFFAOYSA-N 1 3 371.504 2.844 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3OCCC[C@]3(COc3ccccn3)C1)C2 ZINC001169133799 1000024374 /nfs/dbraw/zinc/02/43/74/1000024374.db2.gz KYJAPKYRKDGPGM-VRRLNDPFSA-N 1 3 371.525 2.957 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3OCCC[C@]3(COc3ccccn3)C1)C2 ZINC001169133799 1000024376 /nfs/dbraw/zinc/02/43/76/1000024376.db2.gz KYJAPKYRKDGPGM-VRRLNDPFSA-N 1 3 371.525 2.957 20 0 FFADHO CCN1CCC([NH2+][C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001169233920 1000032388 /nfs/dbraw/zinc/03/23/88/1000032388.db2.gz YIEGGTBAIPCONK-AWEZNQCLSA-N 1 3 357.454 2.502 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CO1 ZINC001169329855 1000040474 /nfs/dbraw/zinc/04/04/74/1000040474.db2.gz TVUXVRHECIMPFW-XNTOXWQXSA-N 1 3 372.509 2.597 20 0 FFADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001169453251 1000048979 /nfs/dbraw/zinc/04/89/79/1000048979.db2.gz YPUWUBZLDBPYMQ-QGZVFWFLSA-N 1 3 361.530 2.678 20 0 FFADHO NCc1cccc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)n1 ZINC001169614621 1000064996 /nfs/dbraw/zinc/06/49/96/1000064996.db2.gz UBGSUTAKHONSOJ-UHFFFAOYSA-N 1 3 350.344 2.884 20 0 FFADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000768103531 1000181758 /nfs/dbraw/zinc/18/17/58/1000181758.db2.gz GILSGWFMXMRKQF-HXUWFJFHSA-N 1 3 373.541 2.995 20 0 FFADHO CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1)c1cc[nH+]cc1 ZINC001109469937 1000524975 /nfs/dbraw/zinc/52/49/75/1000524975.db2.gz NPDDQORICAFBKK-HKBOAZHASA-N 1 3 364.493 2.830 20 0 FFADHO CCc1cccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001000699533 1016438668 /nfs/dbraw/zinc/43/86/68/1016438668.db2.gz INEFINFLAGNMQP-DYESRHJHSA-N 1 3 355.526 2.838 20 0 FFADHO CCc1cccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001000699533 1016438677 /nfs/dbraw/zinc/43/86/77/1016438677.db2.gz INEFINFLAGNMQP-DYESRHJHSA-N 1 3 355.526 2.838 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)C1CC1 ZINC001091738072 1001183756 /nfs/dbraw/zinc/18/37/56/1001183756.db2.gz PAJZJCNIJIHLCN-DYXWJJEUSA-N 1 3 359.558 2.687 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)C1CC1 ZINC001091738072 1001183759 /nfs/dbraw/zinc/18/37/59/1001183759.db2.gz PAJZJCNIJIHLCN-DYXWJJEUSA-N 1 3 359.558 2.687 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091738452 1001184770 /nfs/dbraw/zinc/18/47/70/1001184770.db2.gz YMLASDYOXWIDIS-GIWBLDEGSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091738452 1001184774 /nfs/dbraw/zinc/18/47/74/1001184774.db2.gz YMLASDYOXWIDIS-GIWBLDEGSA-N 1 3 369.553 2.870 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)cs1 ZINC001091743758 1001195705 /nfs/dbraw/zinc/19/57/05/1001195705.db2.gz VOBIPCUSFDUHKR-XLIONFOSSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)cs1 ZINC001091743758 1001195708 /nfs/dbraw/zinc/19/57/08/1001195708.db2.gz VOBIPCUSFDUHKR-XLIONFOSSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]3(C)C2)cc1 ZINC001091758382 1001229031 /nfs/dbraw/zinc/22/90/31/1001229031.db2.gz CDDDKDVVTFASAG-URVUXULASA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]3(C)C2)cc1 ZINC001091758382 1001229038 /nfs/dbraw/zinc/22/90/38/1001229038.db2.gz CDDDKDVVTFASAG-URVUXULASA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091759001 1001230126 /nfs/dbraw/zinc/23/01/26/1001230126.db2.gz VNNQKWFHSCKAKY-URVUXULASA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091759001 1001230133 /nfs/dbraw/zinc/23/01/33/1001230133.db2.gz VNNQKWFHSCKAKY-URVUXULASA-N 1 3 357.542 2.862 20 0 FFADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001148881954 1001235781 /nfs/dbraw/zinc/23/57/81/1001235781.db2.gz BFAWNIYREFDHOL-GOSISDBHSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001112585485 1001535836 /nfs/dbraw/zinc/53/58/36/1001535836.db2.gz ATINYLJPNSUQDL-LNLFQRSKSA-N 1 3 371.516 2.980 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1CN1CCCCC1 ZINC000788623218 1001835879 /nfs/dbraw/zinc/83/58/79/1001835879.db2.gz KHXKQNLDNPOWQP-CSODHUTKSA-N 1 3 362.514 2.872 20 0 FFADHO CC[N@H+](CCCC(=O)N[C@H]1CCCN(C)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183059485 1002149508 /nfs/dbraw/zinc/14/95/08/1002149508.db2.gz YIVCVZSBZMXLQU-HKUYNNGSSA-N 1 3 361.530 2.636 20 0 FFADHO CC[N@@H+](CCCC(=O)N[C@H]1CCCN(C)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183059485 1002149511 /nfs/dbraw/zinc/14/95/11/1002149511.db2.gz YIVCVZSBZMXLQU-HKUYNNGSSA-N 1 3 361.530 2.636 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1)N(C)C ZINC001183363227 1002238944 /nfs/dbraw/zinc/23/89/44/1002238944.db2.gz UXEWLCPLKMGYEK-FYZZASKESA-N 1 3 372.557 2.727 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1)N(C)C ZINC001183363227 1002238951 /nfs/dbraw/zinc/23/89/51/1002238951.db2.gz UXEWLCPLKMGYEK-FYZZASKESA-N 1 3 372.557 2.727 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001092011953 1002281073 /nfs/dbraw/zinc/28/10/73/1002281073.db2.gz JFSNHWYIFQXPAJ-ATFAYFHISA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001092011953 1002281083 /nfs/dbraw/zinc/28/10/83/1002281083.db2.gz JFSNHWYIFQXPAJ-ATFAYFHISA-N 1 3 367.537 2.964 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c1 ZINC001092013455 1002287018 /nfs/dbraw/zinc/28/70/18/1002287018.db2.gz RAAYSGFBRAQFCX-AAIMPIBUSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c1 ZINC001092013455 1002287023 /nfs/dbraw/zinc/28/70/23/1002287023.db2.gz RAAYSGFBRAQFCX-AAIMPIBUSA-N 1 3 369.553 2.871 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCCC(C)C ZINC001198740902 1004718682 /nfs/dbraw/zinc/71/86/82/1004718682.db2.gz IDQZTMBPDLNVQG-LMMKCTJWSA-N 1 3 361.530 2.828 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCCC(C)C ZINC001198740902 1004718687 /nfs/dbraw/zinc/71/86/87/1004718687.db2.gz IDQZTMBPDLNVQG-LMMKCTJWSA-N 1 3 361.530 2.828 20 0 FFADHO CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CC1CCOCC1)N(C)C ZINC001489065747 1005403150 /nfs/dbraw/zinc/40/31/50/1005403150.db2.gz WHWLSMYTDHOPFL-MISYRCLQSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000813861340 1006059507 /nfs/dbraw/zinc/05/95/07/1006059507.db2.gz QXSYVMHDTKESSI-UZLBHIALSA-N 1 3 359.514 2.682 20 0 FFADHO c1ccc(C[C@@H](C[NH+]2CCCC2)Nc2ccc3c(n2)OCCNC3)cc1 ZINC001170753724 1006366362 /nfs/dbraw/zinc/36/63/62/1006366362.db2.gz MLLDGDQWUVDFSM-IBGZPJMESA-N 1 3 352.482 2.683 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231581 1006733608 /nfs/dbraw/zinc/73/36/08/1006733608.db2.gz LJBVJFZOHPAPAI-AWEZNQCLSA-N 1 3 353.470 2.619 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883426820 1006787924 /nfs/dbraw/zinc/78/79/24/1006787924.db2.gz AQDHFMVQWAZCQM-SLFFLAALSA-N 1 3 359.514 2.616 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21)N(CC)CC ZINC001189110882 1006890421 /nfs/dbraw/zinc/89/04/21/1006890421.db2.gz VQNTWFSJEFOBED-PCCBWWKXSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21)N(CC)CC ZINC001189110882 1006890431 /nfs/dbraw/zinc/89/04/31/1006890431.db2.gz VQNTWFSJEFOBED-PCCBWWKXSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2sccc2nc1Cl ZINC000855344166 1007293335 /nfs/dbraw/zinc/29/33/35/1007293335.db2.gz BRAKLCMBWFSSIM-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2sccc2nc1Cl ZINC000855344166 1007293342 /nfs/dbraw/zinc/29/33/42/1007293342.db2.gz BRAKLCMBWFSSIM-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO Cc1nc(C)c(CN2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)s1 ZINC001189880867 1007321374 /nfs/dbraw/zinc/32/13/74/1007321374.db2.gz MDNJHELNNKEEDS-DLBZAZTESA-N 1 3 364.559 2.525 20 0 FFADHO Cn1nccc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001206338072 1032239597 /nfs/dbraw/zinc/23/95/97/1032239597.db2.gz UMLPYVPRBQIWKH-FQEVSTJZSA-N 1 3 354.498 2.676 20 0 FFADHO Cn1nccc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001206338072 1032239615 /nfs/dbraw/zinc/23/96/15/1032239615.db2.gz UMLPYVPRBQIWKH-FQEVSTJZSA-N 1 3 354.498 2.676 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3COC(C)(C)O3)C2)ccn1 ZINC000856607213 1007914425 /nfs/dbraw/zinc/91/44/25/1007914425.db2.gz YLHJCLFQJGIEPX-OALUTQOASA-N 1 3 363.502 2.526 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3COC(C)(C)O3)C2)ccn1 ZINC000856607213 1007914432 /nfs/dbraw/zinc/91/44/32/1007914432.db2.gz YLHJCLFQJGIEPX-OALUTQOASA-N 1 3 363.502 2.526 20 0 FFADHO CC[NH+](CC)CCn1cc(Nc2cccc(CN3CCN(C)CC3)c2)cn1 ZINC001203259332 1009277523 /nfs/dbraw/zinc/27/75/23/1009277523.db2.gz SOWANCQEFOEJIO-UHFFFAOYSA-N 1 3 370.545 2.716 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@H](C)C2)o1 ZINC001093056692 1009725784 /nfs/dbraw/zinc/72/57/84/1009725784.db2.gz KTDUWGWNDKPBPU-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@@H](C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)N1CCCC1 ZINC001180579351 1009733951 /nfs/dbraw/zinc/73/39/51/1009733951.db2.gz OQIWRHQASCNGSX-AYZHRIAMSA-N 1 3 357.542 2.892 20 0 FFADHO C[C@@H](C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)N1CCCC1 ZINC001180579351 1009733963 /nfs/dbraw/zinc/73/39/63/1009733963.db2.gz OQIWRHQASCNGSX-AYZHRIAMSA-N 1 3 357.542 2.892 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC001181419205 1010093525 /nfs/dbraw/zinc/09/35/25/1010093525.db2.gz WDRDONNIQZCPFS-UHFFFAOYSA-N 1 3 356.404 2.527 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093218452 1010158886 /nfs/dbraw/zinc/15/88/86/1010158886.db2.gz RTUMOSCZAOFWPV-YLJYHZDGSA-N 1 3 366.509 2.641 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093218452 1010158893 /nfs/dbraw/zinc/15/88/93/1010158893.db2.gz RTUMOSCZAOFWPV-YLJYHZDGSA-N 1 3 366.509 2.641 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3CC)cc2F)CC1 ZINC001181996740 1010336016 /nfs/dbraw/zinc/33/60/16/1010336016.db2.gz FBMOMHNFUQJVHH-IBGZPJMESA-N 1 3 362.493 2.781 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3CC)cc2F)CC1 ZINC001181996740 1010336029 /nfs/dbraw/zinc/33/60/29/1010336029.db2.gz FBMOMHNFUQJVHH-IBGZPJMESA-N 1 3 362.493 2.781 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001093820223 1010592712 /nfs/dbraw/zinc/59/27/12/1010592712.db2.gz HIEHHJPBYMGVRU-DYESRHJHSA-N 1 3 369.553 2.844 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC001093822150 1010593450 /nfs/dbraw/zinc/59/34/50/1010593450.db2.gz LPGBSEIWPWTUSW-GDBMZVCRSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001093822896 1010593799 /nfs/dbraw/zinc/59/37/99/1010593799.db2.gz XYSIMSKUUYPACT-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC001093822098 1010594323 /nfs/dbraw/zinc/59/43/23/1010594323.db2.gz KQYGUALBEXJCRG-GDBMZVCRSA-N 1 3 365.468 2.633 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1)N(C)C ZINC001094020445 1010786215 /nfs/dbraw/zinc/78/62/15/1010786215.db2.gz BFSZCZFLAKCXKG-ZPMCFJSWSA-N 1 3 371.569 2.946 20 0 FFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001094041205 1010803606 /nfs/dbraw/zinc/80/36/06/1010803606.db2.gz ZYPITRMNBPXNRV-YFVAEKQCSA-N 1 3 357.542 2.829 20 0 FFADHO CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](Cc3cccc(F)c3)C1)CC2 ZINC001274230912 1011329728 /nfs/dbraw/zinc/32/97/28/1011329728.db2.gz NIQRGEHHKUGRMO-GOSISDBHSA-N 1 3 359.489 2.592 20 0 FFADHO CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC001274230912 1011329744 /nfs/dbraw/zinc/32/97/44/1011329744.db2.gz NIQRGEHHKUGRMO-GOSISDBHSA-N 1 3 359.489 2.592 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645204092 1011382577 /nfs/dbraw/zinc/38/25/77/1011382577.db2.gz XUKOTQWWUOJKAK-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645204092 1011382581 /nfs/dbraw/zinc/38/25/81/1011382581.db2.gz XUKOTQWWUOJKAK-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001274396564 1011422498 /nfs/dbraw/zinc/42/24/98/1011422498.db2.gz HKQHMJSSCYKTJA-HRCADAONSA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001274396564 1011422504 /nfs/dbraw/zinc/42/25/04/1011422504.db2.gz HKQHMJSSCYKTJA-HRCADAONSA-N 1 3 361.452 2.592 20 0 FFADHO COCCOCCOCCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972094 1011569872 /nfs/dbraw/zinc/56/98/72/1011569872.db2.gz NWDOZEVMWWNESP-FQEVSTJZSA-N 1 3 364.530 2.699 20 0 FFADHO COCCOCCOCCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972094 1011569884 /nfs/dbraw/zinc/56/98/84/1011569884.db2.gz NWDOZEVMWWNESP-FQEVSTJZSA-N 1 3 364.530 2.699 20 0 FFADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CN(c4cnccn4)C2)C3)cc1 ZINC001172075845 1011612580 /nfs/dbraw/zinc/61/25/80/1011612580.db2.gz FXXYCRXZQSUNCX-NUZGMZIFSA-N 1 3 363.509 2.841 20 0 FFADHO C[C@H]1COCCN1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077644 1011614401 /nfs/dbraw/zinc/61/44/01/1011614401.db2.gz USUIWOPQJBMCTL-UVUJQTEASA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H]1COCCN1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077644 1011614407 /nfs/dbraw/zinc/61/44/07/1011614407.db2.gz USUIWOPQJBMCTL-UVUJQTEASA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H]1COCCN1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077641 1011614444 /nfs/dbraw/zinc/61/44/44/1011614444.db2.gz USUIWOPQJBMCTL-JKLQHZFJSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H]1COCCN1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077641 1011614454 /nfs/dbraw/zinc/61/44/54/1011614454.db2.gz USUIWOPQJBMCTL-JKLQHZFJSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@]1(CO)CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172068180 1011628509 /nfs/dbraw/zinc/62/85/09/1011628509.db2.gz HZZWRNHQYFFTLR-AHJNKEMKSA-N 1 3 358.526 2.637 20 0 FFADHO C[C@]1(CO)CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172068180 1011628516 /nfs/dbraw/zinc/62/85/16/1011628516.db2.gz HZZWRNHQYFFTLR-AHJNKEMKSA-N 1 3 358.526 2.637 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)C2 ZINC001172117018 1011646559 /nfs/dbraw/zinc/64/65/59/1011646559.db2.gz NNVGHTBJLFGQCV-GXQSQTKBSA-N 1 3 373.516 2.978 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)C2 ZINC001172117018 1011646569 /nfs/dbraw/zinc/64/65/69/1011646569.db2.gz NNVGHTBJLFGQCV-GXQSQTKBSA-N 1 3 373.516 2.978 20 0 FFADHO Cn1cc([C@H]2COC3(C2)CC[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)N4C)CC3)cn1 ZINC001172119703 1011654595 /nfs/dbraw/zinc/65/45/95/1011654595.db2.gz ZETLEYPDZNWERH-RSPOEFSDSA-N 1 3 358.530 2.774 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)CCN12 ZINC001172148008 1011664260 /nfs/dbraw/zinc/66/42/60/1011664260.db2.gz UHPXANGVCLLQPB-PFAUGDHASA-N 1 3 353.510 2.640 20 0 FFADHO O=C1CC[C@H]2C[C@H]([NH2+]CC3CCN(Cc4ccccc4F)CC3)CCN12 ZINC001172154498 1011667706 /nfs/dbraw/zinc/66/77/06/1011667706.db2.gz HQYHPWGONUDORT-MOPGFXCFSA-N 1 3 359.489 2.781 20 0 FFADHO O=C1CC[C@@H]2C[C@@H]([NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)CCN12 ZINC001172177428 1011684004 /nfs/dbraw/zinc/68/40/04/1011684004.db2.gz ITBZMFTWFDDRFD-VQTJNVASSA-N 1 3 368.525 2.523 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001274820824 1011685576 /nfs/dbraw/zinc/68/55/76/1011685576.db2.gz YRHADTJTCXJGCE-NEWSRXKRSA-N 1 3 361.917 2.857 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001274820824 1011685578 /nfs/dbraw/zinc/68/55/78/1011685578.db2.gz YRHADTJTCXJGCE-NEWSRXKRSA-N 1 3 361.917 2.857 20 0 FFADHO COC(=O)N1CCC([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)CC1 ZINC001172737241 1011974131 /nfs/dbraw/zinc/97/41/31/1011974131.db2.gz BMOWKLKQLOIRNL-UHFFFAOYSA-N 1 3 361.486 2.798 20 0 FFADHO COC(=O)N1CCC(N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172741768 1011980764 /nfs/dbraw/zinc/98/07/64/1011980764.db2.gz NYZQRXXXJXAKIK-RTBURBONSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC(N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172741768 1011980773 /nfs/dbraw/zinc/98/07/73/1011980773.db2.gz NYZQRXXXJXAKIK-RTBURBONSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172741768 1011980779 /nfs/dbraw/zinc/98/07/79/1011980779.db2.gz NYZQRXXXJXAKIK-RTBURBONSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172741768 1011980788 /nfs/dbraw/zinc/98/07/88/1011980788.db2.gz NYZQRXXXJXAKIK-RTBURBONSA-N 1 3 357.498 2.671 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C[C@@H](C)N1 ZINC000646737040 1012163832 /nfs/dbraw/zinc/16/38/32/1012163832.db2.gz OXONLYSKXJMBPY-KZNAEPCWSA-N 1 3 359.514 2.762 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C[C@@H](C)N1 ZINC000646737040 1012163845 /nfs/dbraw/zinc/16/38/45/1012163845.db2.gz OXONLYSKXJMBPY-KZNAEPCWSA-N 1 3 359.514 2.762 20 0 FFADHO C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@@H]2c1ccccc1 ZINC001275323953 1012298972 /nfs/dbraw/zinc/29/89/72/1012298972.db2.gz FAYRIHAIWBICPO-MISYRCLQSA-N 1 3 355.526 2.870 20 0 FFADHO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CCCN2CCCCC2)N1CCC(F)(F)F ZINC001275343763 1012338841 /nfs/dbraw/zinc/33/88/41/1012338841.db2.gz SLNYKRQXJBAJNG-HZPDHXFCSA-N 1 3 361.452 2.880 20 0 FFADHO O=C1CC[C@@H]2[C@@H](CC[N@H+]2CCCN2CCCCC2)N1CCC(F)(F)F ZINC001275343763 1012338856 /nfs/dbraw/zinc/33/88/56/1012338856.db2.gz SLNYKRQXJBAJNG-HZPDHXFCSA-N 1 3 361.452 2.880 20 0 FFADHO O[C@@H](C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000796360309 1012363085 /nfs/dbraw/zinc/36/30/85/1012363085.db2.gz AWWWZPGSXHLWQH-VXKWHMMOSA-N 1 3 354.494 2.679 20 0 FFADHO O[C@@H](C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCCC1)c1ccccc1 ZINC000796360309 1012363096 /nfs/dbraw/zinc/36/30/96/1012363096.db2.gz AWWWZPGSXHLWQH-VXKWHMMOSA-N 1 3 354.494 2.679 20 0 FFADHO CN(c1ccccc1CNCc1ccc(CO)cc1)C1CC[NH+](C)CC1 ZINC000647229436 1012416465 /nfs/dbraw/zinc/41/64/65/1012416465.db2.gz LPLNRCUKFKKQTA-UHFFFAOYSA-N 1 3 353.510 2.999 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H]1CCCc2n[nH]cc21 ZINC000414268013 1012522253 /nfs/dbraw/zinc/52/22/53/1012522253.db2.gz NYPVIBXYMGIWRH-SLYNCCJLSA-N 1 3 354.498 2.914 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H]1CCCc2n[nH]cc21 ZINC000414268013 1012522268 /nfs/dbraw/zinc/52/22/68/1012522268.db2.gz NYPVIBXYMGIWRH-SLYNCCJLSA-N 1 3 354.498 2.914 20 0 FFADHO c1cnc(N[C@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nc1 ZINC000648049292 1012680215 /nfs/dbraw/zinc/68/02/15/1012680215.db2.gz BBXCQPGMJRBWBO-IBGZPJMESA-N 1 3 367.497 2.638 20 0 FFADHO NC1(c2ccccc2Cl)CC[NH+]([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173746654 1012938380 /nfs/dbraw/zinc/93/83/80/1012938380.db2.gz QSEPZHPCFIIKMD-CABCVRRESA-N 1 3 360.893 2.760 20 0 FFADHO [NH3+]C1(c2ccc(Cl)cc2)CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173747281 1012939507 /nfs/dbraw/zinc/93/95/07/1012939507.db2.gz ROOHHTFYVNHVRY-SJORKVTESA-N 1 3 360.893 2.760 20 0 FFADHO c1nnn([C@@H]2CCC[C@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)C2)n1 ZINC001173764993 1012958116 /nfs/dbraw/zinc/95/81/16/1012958116.db2.gz CBTHAJLYZCLMMQ-VQTJNVASSA-N 1 3 366.513 2.755 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173772422 1012972614 /nfs/dbraw/zinc/97/26/14/1012972614.db2.gz XXNYROGQNWFBTK-WOJBJXKFSA-N 1 3 372.492 2.892 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173772422 1012972624 /nfs/dbraw/zinc/97/26/24/1012972624.db2.gz XXNYROGQNWFBTK-WOJBJXKFSA-N 1 3 372.492 2.892 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000924662961 1017406583 /nfs/dbraw/zinc/40/65/83/1017406583.db2.gz SLEOHOJCWZKITQ-HSZRJFAPSA-N 1 3 366.553 2.853 20 0 FFADHO CCN1CCN(c2ccc(CNC3CC[NH+](CCC(C)C)CC3)cn2)CC1 ZINC000924689892 1017420868 /nfs/dbraw/zinc/42/08/68/1017420868.db2.gz MIXLRCFCGNQNFU-UHFFFAOYSA-N 1 3 373.589 2.824 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000924949730 1017559271 /nfs/dbraw/zinc/55/92/71/1017559271.db2.gz HHNIYACFRJDCPL-KCZVDYSFSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H](CCC[NH3+])c3ccccc3)cn2)CCO1 ZINC000925553320 1017783907 /nfs/dbraw/zinc/78/39/07/1017783907.db2.gz ORRRVXKBDKJPTL-XLIONFOSSA-N 1 3 354.498 2.877 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@H](c2ccccc2)[C@H](C)N)N(C)C)cc1OC ZINC000925622629 1017802397 /nfs/dbraw/zinc/80/23/97/1017802397.db2.gz RILZZVFBEVTZRU-XERREHJYSA-N 1 3 357.498 2.985 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000925786168 1017848955 /nfs/dbraw/zinc/84/89/55/1017848955.db2.gz WKJRJJPCNBXZNT-HOCLYGCPSA-N 1 3 364.440 2.895 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925840667 1017866236 /nfs/dbraw/zinc/86/62/36/1017866236.db2.gz JQNKAYFIRSQWRC-LXGCGDOSSA-N 1 3 361.486 2.543 20 0 FFADHO CCN1CC[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000926959871 1018306485 /nfs/dbraw/zinc/30/64/85/1018306485.db2.gz TWCCVZRTXTZIIJ-PZJWPPBQSA-N 1 3 359.558 2.988 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000927001270 1018319640 /nfs/dbraw/zinc/31/96/40/1018319640.db2.gz HYQVFYUOAKIYEZ-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000927001270 1018319651 /nfs/dbraw/zinc/31/96/51/1018319651.db2.gz HYQVFYUOAKIYEZ-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cncnc1)CC2 ZINC001137665814 1032803492 /nfs/dbraw/zinc/80/34/92/1032803492.db2.gz DMQUUWMJPQZYJB-HXUWFJFHSA-N 1 3 352.482 2.732 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cncnc1)CC2 ZINC001137665814 1032803508 /nfs/dbraw/zinc/80/35/08/1032803508.db2.gz DMQUUWMJPQZYJB-HXUWFJFHSA-N 1 3 352.482 2.732 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2cc[nH]c2c1 ZINC001110960838 1019275581 /nfs/dbraw/zinc/27/55/81/1019275581.db2.gz LCAXNMLEYSVPHN-RLLQIKCJSA-N 1 3 354.498 2.731 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCCCCC1 ZINC001110961648 1019278254 /nfs/dbraw/zinc/27/82/54/1019278254.db2.gz CNVMZAFPXKIBOJ-RLLQIKCJSA-N 1 3 365.562 2.789 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1CCCc1cccc(OC)c1)CC[NH2+]CC2 ZINC001222215375 1032826459 /nfs/dbraw/zinc/82/64/59/1032826459.db2.gz DAOFASNYUAZYEO-LJQANCHMSA-N 1 3 360.498 2.635 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)CC1 ZINC001095962918 1019616255 /nfs/dbraw/zinc/61/62/55/1019616255.db2.gz MEAWARFNOIKJFX-FSSWDIPSSA-N 1 3 367.537 2.739 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)C1 ZINC001096015711 1019902449 /nfs/dbraw/zinc/90/24/49/1019902449.db2.gz PWYKBZDJNIPJHF-NHAYFPRASA-N 1 3 351.510 2.721 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC2)C1 ZINC001096015711 1019902457 /nfs/dbraw/zinc/90/24/57/1019902457.db2.gz PWYKBZDJNIPJHF-NHAYFPRASA-N 1 3 351.510 2.721 20 0 FFADHO C[NH+](C)CC1(O)CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000931485182 1020486258 /nfs/dbraw/zinc/48/62/58/1020486258.db2.gz WXGAFXQTHCCOFS-UHFFFAOYSA-N 1 3 367.493 2.827 20 0 FFADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(-n2ccnc2)c1 ZINC000902881379 1020544494 /nfs/dbraw/zinc/54/44/94/1020544494.db2.gz PFRRDCGJDHYRCN-NDXORKPFSA-N 1 3 354.498 2.901 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(CCc3ccccc3F)C2)CC[N@@H+]1C ZINC001046330788 1020594163 /nfs/dbraw/zinc/59/41/63/1020594163.db2.gz SRGYEYZPIQPECE-DSKINZAPSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(CCc3ccccc3F)C2)CC[N@H+]1C ZINC001046330788 1020594167 /nfs/dbraw/zinc/59/41/67/1020594167.db2.gz SRGYEYZPIQPECE-DSKINZAPSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001046331003 1020597042 /nfs/dbraw/zinc/59/70/42/1020597042.db2.gz ZIJBPFFMQCKIGN-XJUOHMSHSA-N 1 3 369.553 2.986 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001046331003 1020597048 /nfs/dbraw/zinc/59/70/48/1020597048.db2.gz ZIJBPFFMQCKIGN-XJUOHMSHSA-N 1 3 369.553 2.986 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903068652 1020660819 /nfs/dbraw/zinc/66/08/19/1020660819.db2.gz JTLSUDHOCKIVOI-UWJYYQICSA-N 1 3 363.521 2.909 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(F)c(F)c3)[C@@H]2C)CC[N@@H+]1C ZINC001074663059 1020662811 /nfs/dbraw/zinc/66/28/11/1020662811.db2.gz BWPTVRCHUHXCMN-KNEBKQPDSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(F)c(F)c3)[C@@H]2C)CC[N@H+]1C ZINC001074663059 1020662816 /nfs/dbraw/zinc/66/28/16/1020662816.db2.gz BWPTVRCHUHXCMN-KNEBKQPDSA-N 1 3 365.468 2.774 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cc4ccccc4o3)[C@@H]2C)CC[N@@H+]1C ZINC001074661847 1020663002 /nfs/dbraw/zinc/66/30/02/1020663002.db2.gz OFWDLLDCQLKANB-OHQAAIJDSA-N 1 3 355.482 2.852 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cc4ccccc4o3)[C@@H]2C)CC[N@H+]1C ZINC001074661847 1020663005 /nfs/dbraw/zinc/66/30/05/1020663005.db2.gz OFWDLLDCQLKANB-OHQAAIJDSA-N 1 3 355.482 2.852 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)C1 ZINC001098217841 1020739534 /nfs/dbraw/zinc/73/95/34/1020739534.db2.gz LQNPCJPZJWNMAX-WTGUMLROSA-N 1 3 359.489 2.719 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)C1 ZINC001098217841 1020739540 /nfs/dbraw/zinc/73/95/40/1020739540.db2.gz LQNPCJPZJWNMAX-WTGUMLROSA-N 1 3 359.489 2.719 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900959370 1020752449 /nfs/dbraw/zinc/75/24/49/1020752449.db2.gz XFDSMYWKKZOAFI-QUCCMNQESA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900959370 1020752456 /nfs/dbraw/zinc/75/24/56/1020752456.db2.gz XFDSMYWKKZOAFI-QUCCMNQESA-N 1 3 357.498 2.599 20 0 FFADHO OC1(C2(C[NH2+][C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)CC2)CCOCC1 ZINC000903347113 1020797770 /nfs/dbraw/zinc/79/77/70/1020797770.db2.gz OZWIOLUBJAKRKE-HBMCJLEFSA-N 1 3 370.537 2.951 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C3CC3)cc2)C1 ZINC001098394747 1020870027 /nfs/dbraw/zinc/87/00/27/1020870027.db2.gz RAPOABPWMIBYFI-NCYKPQTJSA-N 1 3 353.510 2.737 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C3CC3)cc2)C1 ZINC001098394747 1020870032 /nfs/dbraw/zinc/87/00/32/1020870032.db2.gz RAPOABPWMIBYFI-NCYKPQTJSA-N 1 3 353.510 2.737 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)CN[C@@H](c1ccncc1)C1CC1)c1ccccc1 ZINC000934698133 1021357094 /nfs/dbraw/zinc/35/70/94/1021357094.db2.gz MGFSKPBKQNCRTL-PZJWPPBQSA-N 1 3 352.482 2.541 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001099010783 1021587205 /nfs/dbraw/zinc/58/72/05/1021587205.db2.gz NUGFGLCMXKNBOJ-UGKGYDQZSA-N 1 3 371.525 2.508 20 0 FFADHO C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2CN(Cc2ccsc2)C3)CC1 ZINC001099062940 1021696040 /nfs/dbraw/zinc/69/60/40/1021696040.db2.gz NAOZPCCIEZMZGB-ICSRJNTNSA-N 1 3 361.555 2.951 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122832 1021864605 /nfs/dbraw/zinc/86/46/05/1021864605.db2.gz GYZUDOZXQLVKND-AVRDEDQJSA-N 1 3 371.500 2.701 20 0 FFADHO S=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000145622361 1021905005 /nfs/dbraw/zinc/90/50/05/1021905005.db2.gz VLKJRSRKMOWXKL-WOJBJXKFSA-N 1 3 372.582 2.742 20 0 FFADHO S=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000145622361 1021905008 /nfs/dbraw/zinc/90/50/08/1021905008.db2.gz VLKJRSRKMOWXKL-WOJBJXKFSA-N 1 3 372.582 2.742 20 0 FFADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001111467269 1021947394 /nfs/dbraw/zinc/94/73/94/1021947394.db2.gz CWBIHYMFJRYBBS-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001111467269 1021947405 /nfs/dbraw/zinc/94/74/05/1021947405.db2.gz CWBIHYMFJRYBBS-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467269 1021947422 /nfs/dbraw/zinc/94/74/22/1021947422.db2.gz CWBIHYMFJRYBBS-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)N2CCCC2)cc1 ZINC001118286594 1022160585 /nfs/dbraw/zinc/16/05/85/1022160585.db2.gz HBDTYQXVEJRZNV-PMACEKPBSA-N 1 3 359.514 2.856 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnc(C)s2)C1)N(C)C ZINC001099453431 1022554315 /nfs/dbraw/zinc/55/43/15/1022554315.db2.gz KZWLSUQWBLCVIK-WDYCEAGBSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](N[C@@H]3CCc4c3c(F)ccc4F)C2)CC[N@@H+]1C ZINC001020171362 1022573639 /nfs/dbraw/zinc/57/36/39/1022573639.db2.gz YVBAKQSGQMCAMV-KMYWOXPZSA-N 1 3 363.452 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](N[C@@H]3CCc4c3c(F)ccc4F)C2)CC[N@H+]1C ZINC001020171362 1022573650 /nfs/dbraw/zinc/57/36/50/1022573650.db2.gz YVBAKQSGQMCAMV-KMYWOXPZSA-N 1 3 363.452 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@@H](C)c3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001020174808 1022577351 /nfs/dbraw/zinc/57/73/51/1022577351.db2.gz SBCVOKPOLXAUJW-DOQDNZIXSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@@H](C)c3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001020174808 1022577359 /nfs/dbraw/zinc/57/73/59/1022577359.db2.gz SBCVOKPOLXAUJW-DOQDNZIXSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@@H](C)c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001020174722 1022577581 /nfs/dbraw/zinc/57/75/81/1022577581.db2.gz OAQGVUFMMVOMCD-MZPUCATLSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@@H](C)c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001020174722 1022577588 /nfs/dbraw/zinc/57/75/88/1022577588.db2.gz OAQGVUFMMVOMCD-MZPUCATLSA-N 1 3 365.468 2.993 20 0 FFADHO CCCN(C(=O)[C@H](N)CC(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001122378186 1023229252 /nfs/dbraw/zinc/22/92/52/1023229252.db2.gz XLPGFRNQUHCPEW-QGZVFWFLSA-N 1 3 353.457 2.872 20 0 FFADHO CCCN(C(=O)[C@@H](N)CC(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC001122378182 1023230065 /nfs/dbraw/zinc/23/00/65/1023230065.db2.gz XLPGFRNQUHCPEW-KRWDZBQOSA-N 1 3 353.457 2.872 20 0 FFADHO CC(C)OCC[C@H](O)C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC001120573073 1023366732 /nfs/dbraw/zinc/36/67/32/1023366732.db2.gz MJQNYIJOVPJSFB-PKOBYXMFSA-N 1 3 362.514 2.740 20 0 FFADHO C[C@@](O)(CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001120590226 1023373639 /nfs/dbraw/zinc/37/36/39/1023373639.db2.gz JZMFFSUSUMJVPP-YADHBBJMSA-N 1 3 354.494 2.511 20 0 FFADHO C[C@@](O)(CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001120590226 1023373649 /nfs/dbraw/zinc/37/36/49/1023373649.db2.gz JZMFFSUSUMJVPP-YADHBBJMSA-N 1 3 354.494 2.511 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001123494674 1023831754 /nfs/dbraw/zinc/83/17/54/1023831754.db2.gz QWAYZUJMUNNEKJ-OALUTQOASA-N 1 3 374.577 2.665 20 0 FFADHO CCC(CC)CN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950630797 1023886267 /nfs/dbraw/zinc/88/62/67/1023886267.db2.gz KQKYCVLUCKTGIM-RTWAWAEBSA-N 1 3 357.542 2.912 20 0 FFADHO CCC(CC)CN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000950630797 1023886270 /nfs/dbraw/zinc/88/62/70/1023886270.db2.gz KQKYCVLUCKTGIM-RTWAWAEBSA-N 1 3 357.542 2.912 20 0 FFADHO C[NH+]1CCC(c2nnc(N3CCN(C4CCCC4)CC3)n2CC2CC2)CC1 ZINC001123690980 1023940438 /nfs/dbraw/zinc/94/04/38/1023940438.db2.gz LLCVVVAHMZETAB-UHFFFAOYSA-N 1 3 372.561 2.562 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121890730 1024142741 /nfs/dbraw/zinc/14/27/41/1024142741.db2.gz RAFZIOHQNFKSEH-KRWDZBQOSA-N 1 3 360.550 2.562 20 0 FFADHO C[C@H](CNC(=O)C1(C(F)(F)F)CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC001121923863 1024175181 /nfs/dbraw/zinc/17/51/81/1024175181.db2.gz SSOLIPNVQIZWMB-CQSZACIVSA-N 1 3 357.420 2.555 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccncc1Oc1ccccc1 ZINC001218512018 1033192373 /nfs/dbraw/zinc/19/23/73/1033192373.db2.gz PETFSQUUWFRPOK-KRWDZBQOSA-N 1 3 356.470 2.730 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(c2)OCC[NH2+]C3)C1 ZINC001121989207 1024241238 /nfs/dbraw/zinc/24/12/38/1024241238.db2.gz PNMCMWAUKPMFIJ-OXJNMPFZSA-N 1 3 365.477 2.734 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363351 1024550158 /nfs/dbraw/zinc/55/01/58/1024550158.db2.gz SXQQATMKDWKQKO-INMHGKMJSA-N 1 3 363.468 2.840 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@]2(C)C1 ZINC001101418141 1024690744 /nfs/dbraw/zinc/69/07/44/1024690744.db2.gz BIVXKBOQXHIZOJ-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@]2(C)C1 ZINC001101418141 1024690752 /nfs/dbraw/zinc/69/07/52/1024690752.db2.gz BIVXKBOQXHIZOJ-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCc3ccc(C)cc3)C[C@@]2(C)C1 ZINC001101443921 1024758621 /nfs/dbraw/zinc/75/86/21/1024758621.db2.gz QEGLOQZPCNHAKF-IRLDBZIGSA-N 1 3 357.542 2.660 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@@]2(C)C1 ZINC001101443921 1024758633 /nfs/dbraw/zinc/75/86/33/1024758633.db2.gz QEGLOQZPCNHAKF-IRLDBZIGSA-N 1 3 357.542 2.660 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039038 1033256272 /nfs/dbraw/zinc/25/62/72/1033256272.db2.gz FAZRUOPUVSFNPC-AOIWGVFYSA-N 1 3 362.493 2.579 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C[C@@H]21 ZINC001223039039 1033257067 /nfs/dbraw/zinc/25/70/67/1033257067.db2.gz FAZRUOPUVSFNPC-LMMKCTJWSA-N 1 3 362.493 2.579 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)N1CCCC1 ZINC001095863332 1025122079 /nfs/dbraw/zinc/12/20/79/1025122079.db2.gz JAWLAEOUJMDMIZ-NJAFHUGGSA-N 1 3 361.555 2.887 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)N1CCCC1 ZINC001095863332 1025122084 /nfs/dbraw/zinc/12/20/84/1025122084.db2.gz JAWLAEOUJMDMIZ-NJAFHUGGSA-N 1 3 361.555 2.887 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)N1CCCC1 ZINC001095863552 1025125305 /nfs/dbraw/zinc/12/53/05/1025125305.db2.gz UKKWOROHOQDGBI-AABGKKOBSA-N 1 3 355.526 2.825 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)N1CCCC1 ZINC001095863552 1025125307 /nfs/dbraw/zinc/12/53/07/1025125307.db2.gz UKKWOROHOQDGBI-AABGKKOBSA-N 1 3 355.526 2.825 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046243 1025350897 /nfs/dbraw/zinc/35/08/97/1025350897.db2.gz UJMXJKDIJHWCSN-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046243 1025350909 /nfs/dbraw/zinc/35/09/09/1025350909.db2.gz UJMXJKDIJHWCSN-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102047425 1025353097 /nfs/dbraw/zinc/35/30/97/1025353097.db2.gz GSWGEIRPGHMBIN-DUXKGJEZSA-N 1 3 357.542 2.562 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102047425 1025353113 /nfs/dbraw/zinc/35/31/13/1025353113.db2.gz GSWGEIRPGHMBIN-DUXKGJEZSA-N 1 3 357.542 2.562 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047726 1025354690 /nfs/dbraw/zinc/35/46/90/1025354690.db2.gz RHMHYOVGHIYMFQ-YSGRDPCXSA-N 1 3 361.505 2.680 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047726 1025354695 /nfs/dbraw/zinc/35/46/95/1025354695.db2.gz RHMHYOVGHIYMFQ-YSGRDPCXSA-N 1 3 361.505 2.680 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047620 1025355445 /nfs/dbraw/zinc/35/54/45/1025355445.db2.gz NJAQSSQPPCFCID-HVETUWLQSA-N 1 3 369.553 2.700 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047620 1025355459 /nfs/dbraw/zinc/35/54/59/1025355459.db2.gz NJAQSSQPPCFCID-HVETUWLQSA-N 1 3 369.553 2.700 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)[C@H](C)C2)s1 ZINC001102059438 1025376689 /nfs/dbraw/zinc/37/66/89/1025376689.db2.gz PCJVGGSAIBEEEQ-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)[C@H](C)C2)s1 ZINC001102059438 1025376703 /nfs/dbraw/zinc/37/67/03/1025376703.db2.gz PCJVGGSAIBEEEQ-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366979 1025816615 /nfs/dbraw/zinc/81/66/15/1025816615.db2.gz XBMDJZJHIDHJOU-KGVIQGDOSA-N 1 3 369.553 2.844 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366979 1025816635 /nfs/dbraw/zinc/81/66/35/1025816635.db2.gz XBMDJZJHIDHJOU-KGVIQGDOSA-N 1 3 369.553 2.844 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1F ZINC001102368304 1025825394 /nfs/dbraw/zinc/82/53/94/1025825394.db2.gz PARVLQKBYCECKN-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1F ZINC001102368304 1025825415 /nfs/dbraw/zinc/82/54/15/1025825415.db2.gz PARVLQKBYCECKN-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1 ZINC001102368371 1025827091 /nfs/dbraw/zinc/82/70/91/1025827091.db2.gz QTKZOZLWNBAAEA-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1 ZINC001102368371 1025827107 /nfs/dbraw/zinc/82/71/07/1025827107.db2.gz QTKZOZLWNBAAEA-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368443 1025828791 /nfs/dbraw/zinc/82/87/91/1025828791.db2.gz UDEHKFQEOQFAMB-FUHIMQAGSA-N 1 3 368.525 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368443 1025828807 /nfs/dbraw/zinc/82/88/07/1025828807.db2.gz UDEHKFQEOQFAMB-FUHIMQAGSA-N 1 3 368.525 2.836 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001102373085 1025837794 /nfs/dbraw/zinc/83/77/94/1025837794.db2.gz USLFXNTVNYUENX-IUGNKNQPSA-N 1 3 359.917 2.636 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001102373085 1025837815 /nfs/dbraw/zinc/83/78/15/1025837815.db2.gz USLFXNTVNYUENX-IUGNKNQPSA-N 1 3 359.917 2.636 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1C)N(C)C ZINC001102376949 1025843180 /nfs/dbraw/zinc/84/31/80/1025843180.db2.gz FQMXXJIAVLYTBM-SUMDDJOVSA-N 1 3 357.498 2.957 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C)N(C)C ZINC001102376949 1025843191 /nfs/dbraw/zinc/84/31/91/1025843191.db2.gz FQMXXJIAVLYTBM-SUMDDJOVSA-N 1 3 357.498 2.957 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1C ZINC001102473725 1026047878 /nfs/dbraw/zinc/04/78/78/1026047878.db2.gz MJWNMMZFEJXXJM-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C ZINC001102473725 1026047888 /nfs/dbraw/zinc/04/78/88/1026047888.db2.gz MJWNMMZFEJXXJM-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102475500 1026054751 /nfs/dbraw/zinc/05/47/51/1026054751.db2.gz RBFUEASGTOKHBH-VQIMIIECSA-N 1 3 356.514 2.694 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102475500 1026054760 /nfs/dbraw/zinc/05/47/60/1026054760.db2.gz RBFUEASGTOKHBH-VQIMIIECSA-N 1 3 356.514 2.694 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1C ZINC001102475414 1026055506 /nfs/dbraw/zinc/05/55/06/1026055506.db2.gz NOQDFMAWQIPZPT-VQIMIIECSA-N 1 3 361.530 2.530 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1C ZINC001102475414 1026055523 /nfs/dbraw/zinc/05/55/23/1026055523.db2.gz NOQDFMAWQIPZPT-VQIMIIECSA-N 1 3 361.530 2.530 20 0 FFADHO CO[C@](C)(CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000639162004 1026202779 /nfs/dbraw/zinc/20/27/79/1026202779.db2.gz ODDOVHKCNMDDND-FCHUYYIVSA-N 1 3 357.542 2.694 20 0 FFADHO CO[C@](C)(CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000639162004 1026202791 /nfs/dbraw/zinc/20/27/91/1026202791.db2.gz ODDOVHKCNMDDND-FCHUYYIVSA-N 1 3 357.542 2.694 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102532125 1026243795 /nfs/dbraw/zinc/24/37/95/1026243795.db2.gz VNDYGQQGCPWEOA-CZUORRHYSA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102532125 1026243811 /nfs/dbraw/zinc/24/38/11/1026243811.db2.gz VNDYGQQGCPWEOA-CZUORRHYSA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102532158 1026245110 /nfs/dbraw/zinc/24/51/10/1026245110.db2.gz WWRSLAYENBWCCK-RDTXWAMCSA-N 1 3 365.481 2.626 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102532158 1026245122 /nfs/dbraw/zinc/24/51/22/1026245122.db2.gz WWRSLAYENBWCCK-RDTXWAMCSA-N 1 3 365.481 2.626 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3c(OC)cccc3OC)CC2)CC1 ZINC000639274243 1026263780 /nfs/dbraw/zinc/26/37/80/1026263780.db2.gz BVNZIFHMGKJTLE-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3c(OC)cccc3OC)CC2)CC1 ZINC000639274243 1026263787 /nfs/dbraw/zinc/26/37/87/1026263787.db2.gz BVNZIFHMGKJTLE-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3c(OC)cccc3OC)CC2)CC1 ZINC000639274243 1026263792 /nfs/dbraw/zinc/26/37/92/1026263792.db2.gz BVNZIFHMGKJTLE-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c(C)s1 ZINC001102599929 1026399127 /nfs/dbraw/zinc/39/91/27/1026399127.db2.gz DOQIBUWMEUJDMF-RDTXWAMCSA-N 1 3 351.560 2.889 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c(C)s1 ZINC001102599929 1026399133 /nfs/dbraw/zinc/39/91/33/1026399133.db2.gz DOQIBUWMEUJDMF-RDTXWAMCSA-N 1 3 351.560 2.889 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)C(C)C)cc1 ZINC000639761655 1026458837 /nfs/dbraw/zinc/45/88/37/1026458837.db2.gz HHSCUMCVZDJXNJ-OAQYLSRUSA-N 1 3 373.541 2.926 20 0 FFADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1COCC12OCCO2 ZINC000839173171 1026611726 /nfs/dbraw/zinc/61/17/26/1026611726.db2.gz MIDRJACJBMHTEW-LJQANCHMSA-N 1 3 366.546 2.789 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001103060203 1026921055 /nfs/dbraw/zinc/92/10/55/1026921055.db2.gz AMZXXLUIWXRKST-NUJGCVRESA-N 1 3 364.559 2.592 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001103060203 1026921059 /nfs/dbraw/zinc/92/10/59/1026921059.db2.gz AMZXXLUIWXRKST-NUJGCVRESA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089878 1026951362 /nfs/dbraw/zinc/95/13/62/1026951362.db2.gz DJSBLJQBXIXRQL-IAGOWNOFSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089878 1026951372 /nfs/dbraw/zinc/95/13/72/1026951372.db2.gz DJSBLJQBXIXRQL-IAGOWNOFSA-N 1 3 361.505 2.884 20 0 FFADHO CC1(C)C[NH2+][C@](C)(C(=O)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001158565040 1027061658 /nfs/dbraw/zinc/06/16/58/1027061658.db2.gz RDOKTORNFCKLQJ-DXIQSLLYSA-N 1 3 355.526 2.888 20 0 FFADHO CN1CCC(N(c2nccc(-c3ccc(F)cc3)n2)C2CC[NH2+]CC2)CC1 ZINC001158581371 1027066096 /nfs/dbraw/zinc/06/60/96/1027066096.db2.gz PXMVATZZHVTYJE-UHFFFAOYSA-N 1 3 369.488 2.935 20 0 FFADHO CSc1cnc(Cl)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158589491 1027070746 /nfs/dbraw/zinc/07/07/46/1027070746.db2.gz SQTPUZDESUEHIM-UHFFFAOYSA-N 1 3 355.939 2.505 20 0 FFADHO COCc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460427 1027398380 /nfs/dbraw/zinc/39/83/80/1027398380.db2.gz ISJDOHVXCWETHR-UHFFFAOYSA-N 1 3 365.481 2.533 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ccnc4ccnn43)c3ccccc23)CC1 ZINC001159460416 1027398592 /nfs/dbraw/zinc/39/85/92/1027398592.db2.gz UTGNTMCKHFKRFP-UHFFFAOYSA-N 1 3 360.465 2.639 20 0 FFADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434943 1027473218 /nfs/dbraw/zinc/47/32/18/1027473218.db2.gz FWGBPVLLDUQYHA-FGTMMUONSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434943 1027473224 /nfs/dbraw/zinc/47/32/24/1027473224.db2.gz FWGBPVLLDUQYHA-FGTMMUONSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C ZINC001103433607 1027473636 /nfs/dbraw/zinc/47/36/36/1027473636.db2.gz JLPIYCDRPUMJPO-KZNAEPCWSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C ZINC001103433607 1027473645 /nfs/dbraw/zinc/47/36/45/1027473645.db2.gz JLPIYCDRPUMJPO-KZNAEPCWSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001103434187 1027473949 /nfs/dbraw/zinc/47/39/49/1027473949.db2.gz STDRETGWTDRIOV-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001103434187 1027473957 /nfs/dbraw/zinc/47/39/57/1027473957.db2.gz STDRETGWTDRIOV-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001103434944 1027475464 /nfs/dbraw/zinc/47/54/64/1027475464.db2.gz FWGBPVLLDUQYHA-KZNAEPCWSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001103434944 1027475474 /nfs/dbraw/zinc/47/54/74/1027475474.db2.gz FWGBPVLLDUQYHA-KZNAEPCWSA-N 1 3 363.571 2.849 20 0 FFADHO CCN(CC)Cc1nc2sc(C)c(C)c2c(N[C@]([NH3+])(CC)CO)n1 ZINC001159748779 1027487727 /nfs/dbraw/zinc/48/77/27/1027487727.db2.gz SQTCUAJAWDMOPV-QGZVFWFLSA-N 1 3 351.520 2.619 20 0 FFADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001160152850 1027611202 /nfs/dbraw/zinc/61/12/02/1027611202.db2.gz INPMIWZWZMGMRB-GHTZIAJQSA-N 1 3 357.542 2.882 20 0 FFADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001160152850 1027611213 /nfs/dbraw/zinc/61/12/13/1027611213.db2.gz INPMIWZWZMGMRB-GHTZIAJQSA-N 1 3 357.542 2.882 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1C ZINC001103541975 1027656408 /nfs/dbraw/zinc/65/64/08/1027656408.db2.gz FEEVGQUIZIGSDB-VAMGGRTRSA-N 1 3 369.594 2.734 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1C ZINC001103541975 1027656424 /nfs/dbraw/zinc/65/64/24/1027656424.db2.gz FEEVGQUIZIGSDB-VAMGGRTRSA-N 1 3 369.594 2.734 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001160507160 1027729772 /nfs/dbraw/zinc/72/97/72/1027729772.db2.gz VHGXWXOOJQTGIJ-HOCLYGCPSA-N 1 3 374.312 2.567 20 0 FFADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001160527316 1027742638 /nfs/dbraw/zinc/74/26/38/1027742638.db2.gz RUTZMVMBGSKJTB-IBGZPJMESA-N 1 3 357.523 2.565 20 0 FFADHO CN(Cc1sc2ccccc2c1Cl)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160674436 1027798598 /nfs/dbraw/zinc/79/85/98/1027798598.db2.gz NZHNQEDEWCCJPF-KZULUSFZSA-N 1 3 363.914 2.712 20 0 FFADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001103662751 1027916632 /nfs/dbraw/zinc/91/66/32/1027916632.db2.gz OMKKCXRZKOXMSS-KBAYOESNSA-N 1 3 364.534 2.850 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001103662751 1027916642 /nfs/dbraw/zinc/91/66/42/1027916642.db2.gz OMKKCXRZKOXMSS-KBAYOESNSA-N 1 3 364.534 2.850 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC001160955776 1027943700 /nfs/dbraw/zinc/94/37/00/1027943700.db2.gz HCMSPUWIINVTKG-QUCCMNQESA-N 1 3 361.530 2.739 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000643379259 1027955209 /nfs/dbraw/zinc/95/52/09/1027955209.db2.gz RPHLZCRDKONEGD-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000643379259 1027955214 /nfs/dbraw/zinc/95/52/14/1027955214.db2.gz RPHLZCRDKONEGD-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001103756946 1028145123 /nfs/dbraw/zinc/14/51/23/1028145123.db2.gz GWAKEACTKWPWHJ-NXHRZFHOSA-N 1 3 371.516 2.980 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001103756946 1028145124 /nfs/dbraw/zinc/14/51/24/1028145124.db2.gz GWAKEACTKWPWHJ-NXHRZFHOSA-N 1 3 371.516 2.980 20 0 FFADHO CN(C)CCN(C(=O)C1(c2cccc(Cl)c2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC001161449166 1028180480 /nfs/dbraw/zinc/18/04/80/1028180480.db2.gz KPYOPCVQJYYXJR-GOSISDBHSA-N 1 3 363.933 2.904 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1Cc2nc(-c3ccccc3)sc2C1 ZINC001161572572 1028233082 /nfs/dbraw/zinc/23/30/82/1028233082.db2.gz UHGZRDHPTGTMCE-HNNXBMFYSA-N 1 3 368.506 2.527 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1Cc2nc(-c3ccccc3)sc2C1 ZINC001161572572 1028233100 /nfs/dbraw/zinc/23/31/00/1028233100.db2.gz UHGZRDHPTGTMCE-HNNXBMFYSA-N 1 3 368.506 2.527 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CN[C@@H]3CC[N@@H+](C4CCCC4)C3)c2cc1C ZINC000644550439 1028543927 /nfs/dbraw/zinc/54/39/27/1028543927.db2.gz VQNMUGRPXPAJFU-IEBWSBKVSA-N 1 3 356.514 2.621 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CN[C@@H]3CC[N@H+](C4CCCC4)C3)c2cc1C ZINC000644550439 1028543935 /nfs/dbraw/zinc/54/39/35/1028543935.db2.gz VQNMUGRPXPAJFU-IEBWSBKVSA-N 1 3 356.514 2.621 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001162757561 1028647130 /nfs/dbraw/zinc/64/71/30/1028647130.db2.gz BCLAYGMWDDMVAA-SNVBAGLBSA-N 1 3 350.451 2.696 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001111498113 1028686023 /nfs/dbraw/zinc/68/60/23/1028686023.db2.gz BKNHICBFDIPSIY-WTGUMLROSA-N 1 3 363.546 2.543 20 0 FFADHO FC(F)(F)c1ccc2nccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001163322085 1028892266 /nfs/dbraw/zinc/89/22/66/1028892266.db2.gz GOEWWNLHZPSLID-GUYCJALGSA-N 1 3 351.372 2.999 20 0 FFADHO O=C(c1cccc2c[nH+]cn21)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001155794077 1028913009 /nfs/dbraw/zinc/91/30/09/1028913009.db2.gz JLHIHIDDANXCEU-GDBMZVCRSA-N 1 3 367.478 2.527 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164485583 1029291956 /nfs/dbraw/zinc/29/19/56/1029291956.db2.gz IUYDFHDBXRQPHS-RCCFBDPRSA-N 1 3 365.481 2.628 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164485583 1029291972 /nfs/dbraw/zinc/29/19/72/1029291972.db2.gz IUYDFHDBXRQPHS-RCCFBDPRSA-N 1 3 365.481 2.628 20 0 FFADHO Clc1nc2c(c(-n3nc(C4CC[NH2+]CC4)c4ccccc43)n1)CCNC2 ZINC001157377759 1029568649 /nfs/dbraw/zinc/56/86/49/1029568649.db2.gz PQTNEXVHEHUNEI-UHFFFAOYSA-N 1 3 368.872 2.582 20 0 FFADHO Cc1nsc(C)c1CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858292 1029629132 /nfs/dbraw/zinc/62/91/32/1029629132.db2.gz XUAQYJWBUXJHAI-LPHOPBHVSA-N 1 3 364.559 2.572 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc3c(c1)COC3)C2 ZINC001111858264 1029629256 /nfs/dbraw/zinc/62/92/56/1029629256.db2.gz WHOHTQAHVWRUBT-UNMCSNQZSA-N 1 3 371.525 2.529 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1 ZINC001157837804 1029673300 /nfs/dbraw/zinc/67/33/00/1029673300.db2.gz ZSGCSHRILJSNIU-UHFFFAOYSA-N 1 3 351.498 2.607 20 0 FFADHO N[C@H](CC(=O)N1CCC[C@]12CCC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001158159427 1029747933 /nfs/dbraw/zinc/74/79/33/1029747933.db2.gz ANPUJGNAGOYPJS-WBVHZDCISA-N 1 3 355.404 2.840 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3cccc(OCc4ccccc4)n3)CC2)C1 ZINC001158260358 1029776580 /nfs/dbraw/zinc/77/65/80/1029776580.db2.gz CJVVPAZGTQRXPI-SFHVURJKSA-N 1 3 352.482 2.662 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3cccc(OCc4ccccc4)n3)CC2)C1 ZINC001158260358 1029776586 /nfs/dbraw/zinc/77/65/86/1029776586.db2.gz CJVVPAZGTQRXPI-SFHVURJKSA-N 1 3 352.482 2.662 20 0 FFADHO COc1cc2cnc(Cl)cc2cc1N1CCC([N@@H+]2CC[C@H](N)C2)CC1 ZINC001158266066 1029779177 /nfs/dbraw/zinc/77/91/77/1029779177.db2.gz DDRUSMJGELGHKL-HNNXBMFYSA-N 1 3 360.889 2.899 20 0 FFADHO COc1cc2cnc(Cl)cc2cc1N1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001158266066 1029779183 /nfs/dbraw/zinc/77/91/83/1029779183.db2.gz DDRUSMJGELGHKL-HNNXBMFYSA-N 1 3 360.889 2.899 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004253 1029852814 /nfs/dbraw/zinc/85/28/14/1029852814.db2.gz RRRUBZZTNWGBOW-UNMCSNQZSA-N 1 3 370.541 2.737 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000841018083 1029979665 /nfs/dbraw/zinc/97/96/65/1029979665.db2.gz PFAIDASHZJXXFD-IBGZPJMESA-N 1 3 361.534 2.666 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001112113364 1030033793 /nfs/dbraw/zinc/03/37/93/1030033793.db2.gz QHWYQVHIDDSXPH-ZIAGYGMSSA-N 1 3 363.468 2.886 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116345 1030040926 /nfs/dbraw/zinc/04/09/26/1030040926.db2.gz ZQGWXZRZEPZMMA-FZZYSBJUSA-N 1 3 361.452 2.806 20 0 FFADHO CN(CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001112116239 1030041600 /nfs/dbraw/zinc/04/16/00/1030041600.db2.gz RTZAMSCKKVTYLT-HUUCEWRRSA-N 1 3 363.468 2.886 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001165623155 1030058958 /nfs/dbraw/zinc/05/89/58/1030058958.db2.gz GJIWHYOJSRHCED-FQEVSTJZSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001165623155 1030058972 /nfs/dbraw/zinc/05/89/72/1030058972.db2.gz GJIWHYOJSRHCED-FQEVSTJZSA-N 1 3 358.530 2.530 20 0 FFADHO COc1ccc2c(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cc(=O)oc2c1 ZINC000842478829 1030755040 /nfs/dbraw/zinc/75/50/40/1030755040.db2.gz LGEYWLHLNFBNAE-QFBILLFUSA-N 1 3 372.465 2.520 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCOC)C1 ZINC001112437143 1030807807 /nfs/dbraw/zinc/80/78/07/1030807807.db2.gz ZEXLBLWOKIFYLX-RXVVDRJESA-N 1 3 367.578 2.752 20 0 FFADHO C[N@@H+]1C[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000842767160 1030947468 /nfs/dbraw/zinc/94/74/68/1030947468.db2.gz YISSMPARQJRYHF-QRVBRYPASA-N 1 3 359.514 2.931 20 0 FFADHO C[N@H+]1C[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000842767160 1030947472 /nfs/dbraw/zinc/94/74/72/1030947472.db2.gz YISSMPARQJRYHF-QRVBRYPASA-N 1 3 359.514 2.931 20 0 FFADHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3ccnc4[nH]ccc43)CC2)C1 ZINC001142871816 1030977711 /nfs/dbraw/zinc/97/77/11/1030977711.db2.gz VZKQYZUWASWCTG-KRWDZBQOSA-N 1 3 370.497 2.802 20 0 FFADHO Cc1ccc(CN2CCC([NH+]3CCC(N4CCN(C)CC4)CC3)CC2)cc1 ZINC001204174988 1031145299 /nfs/dbraw/zinc/14/52/99/1031145299.db2.gz JSUUHEUXTVXYHO-UHFFFAOYSA-N 1 3 370.585 2.671 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(OCc2ccccc2F)cc1 ZINC000843051666 1031158628 /nfs/dbraw/zinc/15/86/28/1031158628.db2.gz BOSLUVLXCCNWFF-UHFFFAOYSA-N 1 3 357.473 2.742 20 0 FFADHO CCN1C(=O)CCC12CCN(Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204264712 1031194363 /nfs/dbraw/zinc/19/43/63/1031194363.db2.gz IQSRIKUFHCDYAB-UHFFFAOYSA-N 1 3 373.541 2.994 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001161226428 1031333747 /nfs/dbraw/zinc/33/37/47/1031333747.db2.gz HLOXKNIPJBLMJT-IRXDYDNUSA-N 1 3 367.484 2.862 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000843358545 1031351764 /nfs/dbraw/zinc/35/17/64/1031351764.db2.gz VKRNODBXAJAKHV-LRSLUSHPSA-N 1 3 354.494 2.505 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000843358545 1031351776 /nfs/dbraw/zinc/35/17/76/1031351776.db2.gz VKRNODBXAJAKHV-LRSLUSHPSA-N 1 3 354.494 2.505 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000843358545 1031351787 /nfs/dbraw/zinc/35/17/87/1031351787.db2.gz VKRNODBXAJAKHV-LRSLUSHPSA-N 1 3 354.494 2.505 20 0 FFADHO CN1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)[C@@H](c2ccccc2)C1 ZINC001204692104 1031413072 /nfs/dbraw/zinc/41/30/72/1031413072.db2.gz RTUSTKWYTDWCQB-HSZRJFAPSA-N 1 3 364.537 2.581 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205639550 1031895415 /nfs/dbraw/zinc/89/54/15/1031895415.db2.gz ZWIJSTKEHUFREH-MXKYZYEVSA-N 1 3 352.425 2.958 20 0 FFADHO N[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1C1CCC1)C1CC[NH2+]CC1 ZINC001218726735 1033306886 /nfs/dbraw/zinc/30/68/86/1033306886.db2.gz RXNCIIJZNRMWKJ-LJQANCHMSA-N 1 3 353.470 2.541 20 0 FFADHO Cc1cnn(-c2ccc(C)cc2)c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218749399 1033321752 /nfs/dbraw/zinc/32/17/52/1033321752.db2.gz CQUUZVIWJVNSTH-SFHVURJKSA-N 1 3 357.502 2.923 20 0 FFADHO Cc1ccccc1-c1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n(C)n1 ZINC001218769094 1033334420 /nfs/dbraw/zinc/33/44/20/1033334420.db2.gz BDGGLEFRFKRMIM-KRWDZBQOSA-N 1 3 357.502 2.830 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC001218776750 1033336104 /nfs/dbraw/zinc/33/61/04/1033336104.db2.gz XUDCKEMESLNOOS-JVRGAZCGSA-N 1 3 371.525 2.630 20 0 FFADHO Nc1cccc(NC(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)c1 ZINC001218826030 1033361802 /nfs/dbraw/zinc/36/18/02/1033361802.db2.gz ZDSPGSZDDAWJQD-XMSQKQJNSA-N 1 3 364.493 2.709 20 0 FFADHO O=C(Nc1ccccc1-c1ccc(F)c(F)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218849785 1033374582 /nfs/dbraw/zinc/37/45/82/1033374582.db2.gz KMTKFOUXVPOHHQ-JLTOFOAXSA-N 1 3 357.404 2.769 20 0 FFADHO Cc1cc(N)ccc1CCc1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1C ZINC001218962933 1033431845 /nfs/dbraw/zinc/43/18/45/1033431845.db2.gz NFPFHIUNNOKUSD-HXUWFJFHSA-N 1 3 354.498 2.676 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(N2CCC(F)(F)CC2)cc1 ZINC001219126776 1033524391 /nfs/dbraw/zinc/52/43/91/1033524391.db2.gz SNULXHGNNGSIMI-KRWDZBQOSA-N 1 3 368.472 2.920 20 0 FFADHO Nc1ccc(-c2cc3cc(NC(=O)[C@@H](N)C4CC[NH2+]CC4)ccc3o2)cc1 ZINC001219213064 1033558740 /nfs/dbraw/zinc/55/87/40/1033558740.db2.gz UMDQSXVTMPMVFY-FQEVSTJZSA-N 1 3 364.449 2.947 20 0 FFADHO N[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233800 1033565272 /nfs/dbraw/zinc/56/52/72/1033565272.db2.gz WNUZTPNADRKRAG-RXVVDRJESA-N 1 3 366.509 2.903 20 0 FFADHO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@H]1CNC[C@H](F)C1 ZINC001219487065 1033667122 /nfs/dbraw/zinc/66/71/22/1033667122.db2.gz YJQMPSFWMJSPPU-QWFCFKBJSA-N 1 3 359.489 2.916 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccccc1OC(F)(F)F ZINC001219575159 1033698767 /nfs/dbraw/zinc/69/87/67/1033698767.db2.gz BDGWUKOYBSBEJQ-AWEZNQCLSA-N 1 3 361.408 2.697 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC001219950400 1033904794 /nfs/dbraw/zinc/90/47/94/1033904794.db2.gz UWWDBOOFQAQNER-PMACEKPBSA-N 1 3 354.498 2.783 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220251639 1034071912 /nfs/dbraw/zinc/07/19/12/1034071912.db2.gz AAJHPHKNOISZMQ-RTWAWAEBSA-N 1 3 351.494 2.824 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220251639 1034071917 /nfs/dbraw/zinc/07/19/17/1034071917.db2.gz AAJHPHKNOISZMQ-RTWAWAEBSA-N 1 3 351.494 2.824 20 0 FFADHO NCc1ccc2c(n1)N(C(=O)C[C@H]([NH3+])Cc1cccc3ccccc31)CCC2 ZINC001220377090 1034139310 /nfs/dbraw/zinc/13/93/10/1034139310.db2.gz JPOAQLURGVHAIJ-LJQANCHMSA-N 1 3 374.488 2.933 20 0 FFADHO CC(C)CC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(=O)OC(C)(C)C ZINC001220400516 1034150065 /nfs/dbraw/zinc/15/00/65/1034150065.db2.gz FVCMWLVTUROBRN-IRXDYDNUSA-N 1 3 371.566 2.745 20 0 FFADHO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001138469456 1034303825 /nfs/dbraw/zinc/30/38/25/1034303825.db2.gz IOZZGBURGNJGNI-NRFANRHFSA-N 1 3 368.481 2.684 20 0 FFADHO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001138469456 1034303836 /nfs/dbraw/zinc/30/38/36/1034303836.db2.gz IOZZGBURGNJGNI-NRFANRHFSA-N 1 3 368.481 2.684 20 0 FFADHO O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220694481 1034341819 /nfs/dbraw/zinc/34/18/19/1034341819.db2.gz MDMCQWKBJWQCGN-FCHUYYIVSA-N 1 3 371.484 2.854 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O ZINC001220740682 1034364350 /nfs/dbraw/zinc/36/43/50/1034364350.db2.gz NSBGQVPJJDCUBU-MOPGFXCFSA-N 1 3 369.594 2.876 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)Cc2ccc(C)cc2C)cc1 ZINC001220903355 1034448543 /nfs/dbraw/zinc/44/85/43/1034448543.db2.gz RISBXNANZJLVIY-NRFANRHFSA-N 1 3 353.510 2.723 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226170805 1034557077 /nfs/dbraw/zinc/55/70/77/1034557077.db2.gz QPQSZPKNVUDSEM-GUDVDZBRSA-N 1 3 353.551 2.693 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)cc1 ZINC001221127458 1034565169 /nfs/dbraw/zinc/56/51/69/1034565169.db2.gz DXVATOPHUPNYSA-FQEVSTJZSA-N 1 3 373.541 2.631 20 0 FFADHO CCC[C@H](N)C(=O)NC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001221138901 1034573688 /nfs/dbraw/zinc/57/36/88/1034573688.db2.gz PHDWJGZPUKBTEG-HNNXBMFYSA-N 1 3 357.420 2.614 20 0 FFADHO CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)CSCc1ccc(C)cc1 ZINC001221374063 1034697753 /nfs/dbraw/zinc/69/77/53/1034697753.db2.gz UVJJWWRYXPELQR-KRWDZBQOSA-N 1 3 351.560 2.969 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOC(C)C ZINC001226612751 1034756515 /nfs/dbraw/zinc/75/65/15/1034756515.db2.gz AXEAOIVAHXHLJX-GUDVDZBRSA-N 1 3 353.551 2.693 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226781985 1034836587 /nfs/dbraw/zinc/83/65/87/1034836587.db2.gz GWYDGGIZONLKNT-IAGOWNOFSA-N 1 3 364.559 2.761 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226931837 1034887252 /nfs/dbraw/zinc/88/72/52/1034887252.db2.gz CBILNDRARWZXMM-KURKYZTESA-N 1 3 366.575 2.863 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F)N(C)C ZINC001226941726 1034889607 /nfs/dbraw/zinc/88/96/07/1034889607.db2.gz FOIVRDYIEFVBMK-AQNXPRMDSA-N 1 3 363.521 2.971 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1scnc1C ZINC001227150359 1034951814 /nfs/dbraw/zinc/95/18/14/1034951814.db2.gz OYYGKTNTMQCSRA-HZPDHXFCSA-N 1 3 366.575 2.741 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001227158341 1034954264 /nfs/dbraw/zinc/95/42/64/1034954264.db2.gz GFUCDMBNHNXTSR-HZPDHXFCSA-N 1 3 366.937 2.982 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001227158341 1034954268 /nfs/dbraw/zinc/95/42/68/1034954268.db2.gz GFUCDMBNHNXTSR-HZPDHXFCSA-N 1 3 366.937 2.982 20 0 FFADHO CCC1(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)COC1 ZINC001202936631 1035115192 /nfs/dbraw/zinc/11/51/92/1035115192.db2.gz OUZOWXQPIBADLI-IRLDBZIGSA-N 1 3 362.558 2.874 20 0 FFADHO CCC1(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)COC1 ZINC001202936631 1035115198 /nfs/dbraw/zinc/11/51/98/1035115198.db2.gz OUZOWXQPIBADLI-IRLDBZIGSA-N 1 3 362.558 2.874 20 0 FFADHO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1CN1CCCCC1 ZINC000834907356 1035472717 /nfs/dbraw/zinc/47/27/17/1035472717.db2.gz OVZNYEDLJUYKIH-VDZJLULYSA-N 1 3 359.514 2.986 20 0 FFADHO CN1CCN(c2ccc(CN3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cn2)CC1 ZINC001232361638 1035622860 /nfs/dbraw/zinc/62/28/60/1035622860.db2.gz DCZXUCNGGLESNV-LEWJYISDSA-N 1 3 371.573 2.672 20 0 FFADHO CN1CCN(c2ccc(CN3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cn2)CC1 ZINC001232361638 1035622864 /nfs/dbraw/zinc/62/28/64/1035622864.db2.gz DCZXUCNGGLESNV-LEWJYISDSA-N 1 3 371.573 2.672 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2F)CC1 ZINC001228224519 1036000704 /nfs/dbraw/zinc/00/07/04/1036000704.db2.gz JPTVJZXAAYKHKP-QZTJIDSGSA-N 1 3 365.468 2.824 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001228445663 1036119270 /nfs/dbraw/zinc/11/92/70/1036119270.db2.gz VBIOKHGYADZOGC-JFIYKMOQSA-N 1 3 366.937 2.838 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001228525625 1036159785 /nfs/dbraw/zinc/15/97/85/1036159785.db2.gz FIUYGRMUHHODHO-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001228525625 1036159792 /nfs/dbraw/zinc/15/97/92/1036159792.db2.gz FIUYGRMUHHODHO-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559787 1036178990 /nfs/dbraw/zinc/17/89/90/1036178990.db2.gz YILCDVYTMNZBML-QRVBRYPASA-N 1 3 364.534 2.874 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001228932606 1036415869 /nfs/dbraw/zinc/41/58/69/1036415869.db2.gz RWWWWRZBIIWVLP-GUDVDZBRSA-N 1 3 353.551 2.695 20 0 FFADHO Cc1ccc(Cl)cc1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001233248676 1036461185 /nfs/dbraw/zinc/46/11/85/1036461185.db2.gz UQFKDRMZRDSMBT-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO Cc1ccc(Cl)cc1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001233248676 1036461188 /nfs/dbraw/zinc/46/11/88/1036461188.db2.gz UQFKDRMZRDSMBT-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCOC ZINC001229174829 1036534582 /nfs/dbraw/zinc/53/45/82/1036534582.db2.gz UNYIRHUVZXECDR-RTBURBONSA-N 1 3 355.567 2.942 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC001229229882 1036564025 /nfs/dbraw/zinc/56/40/25/1036564025.db2.gz DHZQSDXQJRRTLT-WOJBJXKFSA-N 1 3 360.546 2.611 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001229504221 1036712112 /nfs/dbraw/zinc/71/21/12/1036712112.db2.gz RBKSKEASDUEIMN-IAGOWNOFSA-N 1 3 352.910 2.594 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001229504221 1036712132 /nfs/dbraw/zinc/71/21/32/1036712132.db2.gz RBKSKEASDUEIMN-IAGOWNOFSA-N 1 3 352.910 2.594 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc4ccsc4c3)C2)C1=O ZINC001277817407 1036816369 /nfs/dbraw/zinc/81/63/69/1036816369.db2.gz MTUCHVZOAYTXAV-FQEVSTJZSA-N 1 3 357.523 2.887 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc4ccsc4c3)C2)C1=O ZINC001277817407 1036816391 /nfs/dbraw/zinc/81/63/91/1036816391.db2.gz MTUCHVZOAYTXAV-FQEVSTJZSA-N 1 3 357.523 2.887 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC001229876820 1036953266 /nfs/dbraw/zinc/95/32/66/1036953266.db2.gz CPHACOLEJGSSKV-RTBURBONSA-N 1 3 365.493 2.563 20 0 FFADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C)OC ZINC001230266731 1037185315 /nfs/dbraw/zinc/18/53/15/1037185315.db2.gz XGEPASCEYWFYKD-MISYRCLQSA-N 1 3 361.530 2.804 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266663 1037185471 /nfs/dbraw/zinc/18/54/71/1037185471.db2.gz SUVCQHBOPHQUPB-WOJBJXKFSA-N 1 3 361.530 2.805 20 0 FFADHO Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284600 1037196324 /nfs/dbraw/zinc/19/63/24/1037196324.db2.gz MVILHFKGAIAMIQ-RTBURBONSA-N 1 3 363.550 2.630 20 0 FFADHO CCOC(=O)[C@@H]1CN(CC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC001207293277 1037321985 /nfs/dbraw/zinc/32/19/85/1037321985.db2.gz GZMOVNNROATOOT-IBGZPJMESA-N 1 3 362.539 2.879 20 0 FFADHO c1ccc([C@]23CC[NH2+]C[C@H]2CN(Cc2nc4c(s2)CNCC4)CC3)cc1 ZINC001235386673 1037519286 /nfs/dbraw/zinc/51/92/86/1037519286.db2.gz WSGHVJIGYRMPCS-LAUBAEHRSA-N 1 3 368.550 2.542 20 0 FFADHO Cc1cc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)cc1C ZINC001231483308 1037622790 /nfs/dbraw/zinc/62/27/90/1037622790.db2.gz KUBVXTCBXDNISL-HKBOAZHASA-N 1 3 353.514 2.798 20 0 FFADHO Cc1cc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)cc1C ZINC001231483308 1037622799 /nfs/dbraw/zinc/62/27/99/1037622799.db2.gz KUBVXTCBXDNISL-HKBOAZHASA-N 1 3 353.514 2.798 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3c[nH]c4cccnc34)C2)C1 ZINC001231489908 1037629379 /nfs/dbraw/zinc/62/93/79/1037629379.db2.gz VUFPHDIYYDOCIM-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3c[nH]c4cccnc34)C2)C1 ZINC001231489908 1037629381 /nfs/dbraw/zinc/62/93/81/1037629381.db2.gz VUFPHDIYYDOCIM-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207649852 1037631137 /nfs/dbraw/zinc/63/11/37/1037631137.db2.gz KKGWPROTVYRSOX-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207649852 1037631145 /nfs/dbraw/zinc/63/11/45/1037631145.db2.gz KKGWPROTVYRSOX-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO Brc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235691125 1037689043 /nfs/dbraw/zinc/68/90/43/1037689043.db2.gz PYSKDQLVCGVBRF-MRXNPFEDSA-N 1 3 366.347 2.956 20 0 FFADHO [NH3+]C12CC(CCN3CCN[C@H](c4cccc(Br)c4)C3)(C1)C2 ZINC001235795617 1037748781 /nfs/dbraw/zinc/74/87/81/1037748781.db2.gz ODBOISISHATSML-GTPINHCMSA-N 1 3 350.304 2.667 20 0 FFADHO Brc1cccc([C@@H]2CN(CC[C@@H]3CCCC[NH2+]3)CCN2)c1 ZINC001235796688 1037749230 /nfs/dbraw/zinc/74/92/30/1037749230.db2.gz UPAUYROCEYVWHY-IRXDYDNUSA-N 1 3 352.320 2.928 20 0 FFADHO c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235841326 1037784334 /nfs/dbraw/zinc/78/43/34/1037784334.db2.gz VYRCPYLUBLTQJT-GOTSBHOMSA-N 1 3 362.521 2.555 20 0 FFADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001235935461 1037846735 /nfs/dbraw/zinc/84/67/35/1037846735.db2.gz COYXFZMCDCHLCD-BHDDXSALSA-N 1 3 353.485 2.903 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3ccc(Cl)c(C)c3F)C[C@H]1C2 ZINC001236035498 1037895113 /nfs/dbraw/zinc/89/51/13/1037895113.db2.gz DFTFEKDSUNJDTE-GJRWTSMGSA-N 1 3 366.864 2.618 20 0 FFADHO COC(=O)c1cccc(CN(C)Cc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001236086632 1037929895 /nfs/dbraw/zinc/92/98/95/1037929895.db2.gz NIGHHONFVOXIAA-UHFFFAOYSA-N 1 3 367.493 2.510 20 0 FFADHO CC1(C)C[C@@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001255543890 1038004007 /nfs/dbraw/zinc/00/40/07/1038004007.db2.gz WYJFHURAMZCGBW-FQEVSTJZSA-N 1 3 373.541 2.954 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001255594213 1038040285 /nfs/dbraw/zinc/04/02/85/1038040285.db2.gz OYBRWUAKUBCKER-LJQANCHMSA-N 1 3 374.529 2.893 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)CC1 ZINC001208107799 1038042275 /nfs/dbraw/zinc/04/22/75/1038042275.db2.gz ULSIDPBJUIMKJA-GUDVDZBRSA-N 1 3 359.514 2.672 20 0 FFADHO Ic1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236317211 1038042838 /nfs/dbraw/zinc/04/28/38/1038042838.db2.gz URTSPTZPQKJKDG-OKILXGFUSA-N 1 3 356.251 2.723 20 0 FFADHO Cc1cccc(CN(CCN2CCOCC2)CC2CC[NH2+]CC2)c1Cl ZINC001236401134 1038075235 /nfs/dbraw/zinc/07/52/35/1038075235.db2.gz NQOQMSMECOEAIJ-UHFFFAOYSA-N 1 3 365.949 2.782 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1)CC1CC1 ZINC001255631585 1038092542 /nfs/dbraw/zinc/09/25/42/1038092542.db2.gz YXIYVAXWVJHRGL-LPHOPBHVSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1)CC1CC1 ZINC001255631585 1038092554 /nfs/dbraw/zinc/09/25/54/1038092554.db2.gz YXIYVAXWVJHRGL-LPHOPBHVSA-N 1 3 350.551 2.623 20 0 FFADHO Clc1ccc(CN(Cc2ccc3n2CCNC3)C2CC[NH2+]CC2)cc1 ZINC001236454875 1038093618 /nfs/dbraw/zinc/09/36/18/1038093618.db2.gz MDIGWCDRFQWEGZ-UHFFFAOYSA-N 1 3 358.917 2.999 20 0 FFADHO Cc1ccc([C@@H](C)CCN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)o1 ZINC001208157331 1038098619 /nfs/dbraw/zinc/09/86/19/1038098619.db2.gz VZMSZYSQTRLVDW-NQYYFHDYSA-N 1 3 357.502 2.768 20 0 FFADHO Cc1ccc([C@@H](C)CCN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)o1 ZINC001208157331 1038098639 /nfs/dbraw/zinc/09/86/39/1038098639.db2.gz VZMSZYSQTRLVDW-NQYYFHDYSA-N 1 3 357.502 2.768 20 0 FFADHO C[NH+](C)CC1(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)CCCC1 ZINC001208185134 1038121200 /nfs/dbraw/zinc/12/12/00/1038121200.db2.gz LAFVSXXJTWSQMI-NQIIRXRSSA-N 1 3 359.514 2.531 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)CCCC1 ZINC001208186019 1038121217 /nfs/dbraw/zinc/12/12/17/1038121217.db2.gz HOIOZONMRJLKEY-IBGZPJMESA-N 1 3 370.541 2.642 20 0 FFADHO COc1cccnc1O[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001236533816 1038122060 /nfs/dbraw/zinc/12/20/60/1038122060.db2.gz BLIUMXSBSPAAFM-IBGZPJMESA-N 1 3 353.466 2.779 20 0 FFADHO COc1cc(OC2CCN(Cc3ccc4c(c3)CC[NH2+]C4)CC2)ccn1 ZINC001236622491 1038159163 /nfs/dbraw/zinc/15/91/63/1038159163.db2.gz OZGHORYHAFYIHN-UHFFFAOYSA-N 1 3 353.466 2.779 20 0 FFADHO CNc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2)C1 ZINC001278895206 1038237881 /nfs/dbraw/zinc/23/78/81/1038237881.db2.gz KPGVQOLRXSJGQF-NRFANRHFSA-N 1 3 353.514 2.913 20 0 FFADHO CNc1ccccc1C[N@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2)C1 ZINC001278895206 1038237894 /nfs/dbraw/zinc/23/78/94/1038237894.db2.gz KPGVQOLRXSJGQF-NRFANRHFSA-N 1 3 353.514 2.913 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC001256034751 1038328746 /nfs/dbraw/zinc/32/87/46/1038328746.db2.gz YSKDEQBXYYSWIO-OALUTQOASA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC001256034751 1038328760 /nfs/dbraw/zinc/32/87/60/1038328760.db2.gz YSKDEQBXYYSWIO-OALUTQOASA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496221 1038360696 /nfs/dbraw/zinc/36/06/96/1038360696.db2.gz MMAMIJFGQKPABP-CZUORRHYSA-N 1 3 357.420 2.594 20 0 FFADHO CC[NH+]1CCC(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001208598396 1038437360 /nfs/dbraw/zinc/43/73/60/1038437360.db2.gz AEPRSPRCFVFEPE-PZJWPPBQSA-N 1 3 361.505 2.695 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CN(Cc3ccc(F)cc3)CCO2)CC1 ZINC001256561388 1038561054 /nfs/dbraw/zinc/56/10/54/1038561054.db2.gz HJMCWCZFRDLTAH-FQEVSTJZSA-N 1 3 363.521 2.879 20 0 FFADHO Brc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cn1 ZINC001256675673 1038598434 /nfs/dbraw/zinc/59/84/34/1038598434.db2.gz HUDHGRVDHBREMM-UHFFFAOYSA-N 1 3 354.292 2.577 20 0 FFADHO COc1cc2c(cc1OC)C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256687973 1038603704 /nfs/dbraw/zinc/60/37/04/1038603704.db2.gz LIXRRMFZAJIGCD-IOJLRTSASA-N 1 3 374.525 2.794 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001208983713 1038615865 /nfs/dbraw/zinc/61/58/65/1038615865.db2.gz HUPZLSZXHSYETB-GOSISDBHSA-N 1 3 369.550 2.819 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001208983713 1038615868 /nfs/dbraw/zinc/61/58/68/1038615868.db2.gz HUPZLSZXHSYETB-GOSISDBHSA-N 1 3 369.550 2.819 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2ccccc2Br)CC1 ZINC001256830741 1038630580 /nfs/dbraw/zinc/63/05/80/1038630580.db2.gz MDNWKBLOXGMIJX-INIZCTEOSA-N 1 3 368.363 2.996 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4cccnc4F)C[C@H]3CC2)[nH]1 ZINC001278996116 1038727936 /nfs/dbraw/zinc/72/79/36/1038727936.db2.gz FRASFRVNEFFGGW-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4cccnc4F)C[C@H]3CC2)[nH]1 ZINC001278996116 1038727945 /nfs/dbraw/zinc/72/79/45/1038727945.db2.gz FRASFRVNEFFGGW-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3c[nH]c4c3cccc4C)CC[C@@H]2C1 ZINC001209485640 1038920473 /nfs/dbraw/zinc/92/04/73/1038920473.db2.gz MBYZRNAGBYJHPA-YLJYHZDGSA-N 1 3 357.498 2.645 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3c[nH]c4c3cccc4C)CC[C@@H]2C1 ZINC001209485640 1038920488 /nfs/dbraw/zinc/92/04/88/1038920488.db2.gz MBYZRNAGBYJHPA-YLJYHZDGSA-N 1 3 357.498 2.645 20 0 FFADHO c1c([C@@H]2C[NH2+]CCO2)cn2c1cccc2C1=CC[C@H](N2CCOCC2)CC1 ZINC001245424610 1039002208 /nfs/dbraw/zinc/00/22/08/1039002208.db2.gz HQZBAABYDHTZAY-UGKGYDQZSA-N 1 3 367.493 2.868 20 0 FFADHO [NH3+]C1CCN(Cc2cccc(C3=CC[C@@H](N4CCOCC4)CC3)c2)CC1 ZINC001245429737 1039008622 /nfs/dbraw/zinc/00/86/22/1039008622.db2.gz VXFBNPGKHZISBI-JOCHJYFZSA-N 1 3 355.526 2.878 20 0 FFADHO C[C@@H](c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1)N1CC[NH2+]CC1 ZINC001245431474 1039011630 /nfs/dbraw/zinc/01/16/30/1039011630.db2.gz QRKFXXDPDSEEEX-PGRDOPGGSA-N 1 3 355.526 2.921 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)N(C)C)cc1 ZINC001251372658 1039095121 /nfs/dbraw/zinc/09/51/21/1039095121.db2.gz VMDYWJVHFOIUME-CRAIPNDOSA-N 1 3 364.559 2.652 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)N(C)C)cc1 ZINC001251372658 1039095142 /nfs/dbraw/zinc/09/51/42/1039095142.db2.gz VMDYWJVHFOIUME-CRAIPNDOSA-N 1 3 364.559 2.652 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCCN(Cc3cccc(CN4CCOCC4)c3)C2)C1 ZINC001279065283 1039096186 /nfs/dbraw/zinc/09/61/86/1039096186.db2.gz REWDOEDSGFILSO-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCCN(Cc3cccc(CN4CCOCC4)c3)C2)C1 ZINC001279065283 1039096206 /nfs/dbraw/zinc/09/62/06/1039096206.db2.gz REWDOEDSGFILSO-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN1CCC[C@@]2(CCC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)C1 ZINC001279065283 1039096222 /nfs/dbraw/zinc/09/62/22/1039096222.db2.gz REWDOEDSGFILSO-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)C1 ZINC001279065283 1039096243 /nfs/dbraw/zinc/09/62/43/1039096243.db2.gz REWDOEDSGFILSO-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO COc1c(Cl)ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1F ZINC001209702924 1039140605 /nfs/dbraw/zinc/14/06/05/1039140605.db2.gz IYRIGGXAUSHYKZ-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CNCC[C@H]2CCCC[NH2+]2)cc1 ZINC001246003460 1039184554 /nfs/dbraw/zinc/18/45/54/1039184554.db2.gz QVLHKRBMLPQRDL-RTBURBONSA-N 1 3 362.514 2.624 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)COCC(F)(F)C(F)F ZINC001251584124 1039192734 /nfs/dbraw/zinc/19/27/34/1039192734.db2.gz SLAVUDDWFJRQNW-ZNMIVQPWSA-N 1 3 370.431 2.603 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)COCC(F)(F)C(F)F ZINC001251584124 1039192745 /nfs/dbraw/zinc/19/27/45/1039192745.db2.gz SLAVUDDWFJRQNW-ZNMIVQPWSA-N 1 3 370.431 2.603 20 0 FFADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1C[C@H](O)COCC(F)(F)C(F)F ZINC001251584124 1039192758 /nfs/dbraw/zinc/19/27/58/1039192758.db2.gz SLAVUDDWFJRQNW-ZNMIVQPWSA-N 1 3 370.431 2.603 20 0 FFADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1C[C@H](O)COCC(F)(F)C(F)F ZINC001251584124 1039192764 /nfs/dbraw/zinc/19/27/64/1039192764.db2.gz SLAVUDDWFJRQNW-ZNMIVQPWSA-N 1 3 370.431 2.603 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246017321 1039194305 /nfs/dbraw/zinc/19/43/05/1039194305.db2.gz AGENZPXBCYIBHA-RXVVDRJESA-N 1 3 362.514 2.705 20 0 FFADHO O[C@]1(C[NH+]2CCC(c3ccc(Br)cc3)CC2)CCCNC1 ZINC001246041480 1039212395 /nfs/dbraw/zinc/21/23/95/1039212395.db2.gz ZNNGZGXXHPDJST-QGZVFWFLSA-N 1 3 353.304 2.743 20 0 FFADHO CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246052390 1039220585 /nfs/dbraw/zinc/22/05/85/1039220585.db2.gz MJYPYTFXEKHUEW-VQTJNVASSA-N 1 3 364.436 2.726 20 0 FFADHO CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246052390 1039220597 /nfs/dbraw/zinc/22/05/97/1039220597.db2.gz MJYPYTFXEKHUEW-VQTJNVASSA-N 1 3 364.436 2.726 20 0 FFADHO C[C@H](CCc1ccc(Br)cc1)NC[C@@]1(O)CCCC[NH2+]C1 ZINC001246107470 1039246775 /nfs/dbraw/zinc/24/67/75/1039246775.db2.gz HBBUPUURXMRBPH-RHSMWYFYSA-N 1 3 355.320 2.864 20 0 FFADHO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CCCCNC1 ZINC001246107470 1039246785 /nfs/dbraw/zinc/24/67/85/1039246785.db2.gz HBBUPUURXMRBPH-RHSMWYFYSA-N 1 3 355.320 2.864 20 0 FFADHO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258172848 1039247494 /nfs/dbraw/zinc/24/74/94/1039247494.db2.gz TYSMIZISXGUWSQ-IEBWSBKVSA-N 1 3 369.509 2.615 20 0 FFADHO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C[C@@]23CCCO[C@@H]2CCNC3)cc1 ZINC001246141429 1039254368 /nfs/dbraw/zinc/25/43/68/1039254368.db2.gz CRDCZNHXFYBVAO-SCWSEQNSSA-N 1 3 360.498 2.543 20 0 FFADHO CSCC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258200654 1039266109 /nfs/dbraw/zinc/26/61/09/1039266109.db2.gz VHDNSFCABQLSGF-WMZOPIPTSA-N 1 3 363.571 2.533 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3[nH]cnc3C(C)(C)C)(C1)CCC2 ZINC001279088370 1039293591 /nfs/dbraw/zinc/29/35/91/1039293591.db2.gz GDIXDQOUHQODQE-UXHICEINSA-N 1 3 364.534 2.852 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCCN1CNC1CCC2(CC[NH2+]C2)CC1 ZINC001246347813 1039319516 /nfs/dbraw/zinc/31/95/16/1039319516.db2.gz FJXKTQANEKDWJM-GNZRSQJKSA-N 1 3 351.535 2.652 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ncn4ccccc34)C2)C1 ZINC001278447651 1039339935 /nfs/dbraw/zinc/33/99/35/1039339935.db2.gz JAGPSJXILRXGPT-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ncn4ccccc34)C2)C1 ZINC001278447651 1039339946 /nfs/dbraw/zinc/33/99/46/1039339946.db2.gz JAGPSJXILRXGPT-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246408006 1039342675 /nfs/dbraw/zinc/34/26/75/1039342675.db2.gz BFOCLRSFQOPTCX-MOUJJLBJSA-N 1 3 368.562 2.703 20 0 FFADHO CCC(CC)[C@@H]([NH2+]C1CCCCCCC1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246414232 1039345735 /nfs/dbraw/zinc/34/57/35/1039345735.db2.gz ZYXXBNHKPKBBLQ-OMQSBVIBSA-N 1 3 368.562 2.991 20 0 FFADHO CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC(C3=CC=C(N)CN3)CC2)cc1 ZINC001246492958 1039370596 /nfs/dbraw/zinc/37/05/96/1039370596.db2.gz GBQAGGRBECETKN-INIZCTEOSA-N 1 3 369.509 2.836 20 0 FFADHO [NH3+][C@H]1CCCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001246541718 1039389869 /nfs/dbraw/zinc/38/98/69/1039389869.db2.gz MZCLYXRXEOMVGL-AWEZNQCLSA-N 1 3 353.869 2.897 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCc4c(F)cccc4C3)C[C@@H]1CNCCC2 ZINC001246612464 1039414775 /nfs/dbraw/zinc/41/47/75/1039414775.db2.gz WJFZJKPFSHAZCF-FVJLSDCUSA-N 1 3 360.473 2.548 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCc4c(F)cccc4C3)C[C@@H]1CNCCC2 ZINC001246612464 1039414782 /nfs/dbraw/zinc/41/47/82/1039414782.db2.gz WJFZJKPFSHAZCF-FVJLSDCUSA-N 1 3 360.473 2.548 20 0 FFADHO O=C1NCC[C@]12C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC21CNC1 ZINC001246627546 1039419753 /nfs/dbraw/zinc/41/97/53/1039419753.db2.gz MZFMFDVSLQMLEU-IAYYMHMVSA-N 1 3 373.928 2.778 20 0 FFADHO O=C1NCC[C@]12C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC21CNC1 ZINC001246627546 1039419757 /nfs/dbraw/zinc/41/97/57/1039419757.db2.gz MZFMFDVSLQMLEU-IAYYMHMVSA-N 1 3 373.928 2.778 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+]([C@@H]4CCN[C@@H](C)C4)C[C@H]2C3)c1 ZINC001246701293 1039441128 /nfs/dbraw/zinc/44/11/28/1039441128.db2.gz FESWUXSZRONJDC-WFEDQXDTSA-N 1 3 366.509 2.808 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+]([C@@H]4CCN[C@@H](C)C4)C[C@H]2C3)c1 ZINC001246701293 1039441132 /nfs/dbraw/zinc/44/11/32/1039441132.db2.gz FESWUXSZRONJDC-WFEDQXDTSA-N 1 3 366.509 2.808 20 0 FFADHO CC1(C)CC[C@@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001258593035 1039446208 /nfs/dbraw/zinc/44/62/08/1039446208.db2.gz KDOZZPNPUDIGJF-RBUKOAKNSA-N 1 3 357.542 2.970 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246744463 1039459078 /nfs/dbraw/zinc/45/90/78/1039459078.db2.gz AYWMDCWQZDSJMQ-WLRLJWMZSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246744463 1039459090 /nfs/dbraw/zinc/45/90/90/1039459090.db2.gz AYWMDCWQZDSJMQ-WLRLJWMZSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)CC[NH2+]1 ZINC001246744463 1039459098 /nfs/dbraw/zinc/45/90/98/1039459098.db2.gz AYWMDCWQZDSJMQ-WLRLJWMZSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)CC[NH2+]1 ZINC001246754361 1039465864 /nfs/dbraw/zinc/46/58/64/1039465864.db2.gz IIEDQWAFCVCQAZ-NZSAHSFTSA-N 1 3 364.484 2.755 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+]([C@H](C)Cc3cccc(Cl)c3)C[C@H]1CNCC2 ZINC001246856146 1039504935 /nfs/dbraw/zinc/50/49/35/1039504935.db2.gz SBEMAVGOKYBPNH-IDHHARJASA-N 1 3 350.890 2.746 20 0 FFADHO CCOC(=O)[C@]12C[N@H+]([C@H](C)Cc3cccc(Cl)c3)C[C@H]1CNCC2 ZINC001246856146 1039504948 /nfs/dbraw/zinc/50/49/48/1039504948.db2.gz SBEMAVGOKYBPNH-IDHHARJASA-N 1 3 350.890 2.746 20 0 FFADHO CCC[NH+]1CCC(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001258773357 1039508519 /nfs/dbraw/zinc/50/85/19/1039508519.db2.gz HBEDHWJFJPCMSS-TZIWHRDSSA-N 1 3 361.505 2.837 20 0 FFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246939140 1039540672 /nfs/dbraw/zinc/54/06/72/1039540672.db2.gz BWAARFLMRKAFFM-OIGAGUIZSA-N 1 3 362.901 2.843 20 0 FFADHO COC(=O)c1cccc([C@@H]2CNCCN2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001247017249 1039582797 /nfs/dbraw/zinc/58/27/97/1039582797.db2.gz SSAMBHRZCWXTHB-RTWAWAEBSA-N 1 3 371.525 2.827 20 0 FFADHO COC(=O)c1cccc([C@@H]2CNCCN2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001247017249 1039582809 /nfs/dbraw/zinc/58/28/09/1039582809.db2.gz SSAMBHRZCWXTHB-RTWAWAEBSA-N 1 3 371.525 2.827 20 0 FFADHO CCCC[C@@H](CC)COC[C@@H](O)CN(CCOC)C1CC[NH+](C)CC1 ZINC001253002488 1039905758 /nfs/dbraw/zinc/90/57/58/1039905758.db2.gz PEIGMRFLMIVFHT-QUCCMNQESA-N 1 3 358.567 2.623 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094664 1039942703 /nfs/dbraw/zinc/94/27/03/1039942703.db2.gz LDCYHSPGGWPKPQ-RTBURBONSA-N 1 3 353.551 2.506 20 0 FFADHO FC(F)(F)c1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1Cl ZINC001247828238 1039974776 /nfs/dbraw/zinc/97/47/76/1039974776.db2.gz BUSMASLRUSUUGL-JTQLQIEISA-N 1 3 358.751 2.685 20 0 FFADHO COc1ccccc1-c1ccccc1-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247827998 1039975245 /nfs/dbraw/zinc/97/52/45/1039975245.db2.gz ABOQCIOSCWXFLX-QGZVFWFLSA-N 1 3 362.433 2.689 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC001253215632 1040051929 /nfs/dbraw/zinc/05/19/29/1040051929.db2.gz ZPGAJKADKJMZTM-IRXDYDNUSA-N 1 3 355.320 2.599 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211375068 1040119222 /nfs/dbraw/zinc/11/92/22/1040119222.db2.gz YCJYNXZQSONYKF-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211375068 1040119228 /nfs/dbraw/zinc/11/92/28/1040119228.db2.gz YCJYNXZQSONYKF-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO OCc1ccc(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)cc1 ZINC001278499141 1040129142 /nfs/dbraw/zinc/12/91/42/1040129142.db2.gz DBQZZWHFJDVKJB-UHFFFAOYSA-N 1 3 354.498 2.780 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001248521558 1040310838 /nfs/dbraw/zinc/31/08/38/1040310838.db2.gz QBCIKBZJTNUSED-UXHICEINSA-N 1 3 358.530 2.743 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001248521558 1040310853 /nfs/dbraw/zinc/31/08/53/1040310853.db2.gz QBCIKBZJTNUSED-UXHICEINSA-N 1 3 358.530 2.743 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221663 1040347611 /nfs/dbraw/zinc/34/76/11/1040347611.db2.gz MFXQKAHPAQKNIV-JNVNVXKGSA-N 1 3 365.562 2.813 20 0 FFADHO OC1(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038126 1040537713 /nfs/dbraw/zinc/53/77/13/1040537713.db2.gz ZCZXZHPINQOYPI-NRFANRHFSA-N 1 3 367.493 2.562 20 0 FFADHO OC1(C[N@H+]2CC[C@H](Oc3cccnc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038126 1040537731 /nfs/dbraw/zinc/53/77/31/1040537731.db2.gz ZCZXZHPINQOYPI-NRFANRHFSA-N 1 3 367.493 2.562 20 0 FFADHO Cc1ccnn1C1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254043205 1040543658 /nfs/dbraw/zinc/54/36/58/1040543658.db2.gz ZBTQOZCJQGNQGS-UHFFFAOYSA-N 1 3 368.525 2.856 20 0 FFADHO CCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cn1 ZINC001254049705 1040550722 /nfs/dbraw/zinc/55/07/22/1040550722.db2.gz LLWYUGGTDUPFTJ-UHFFFAOYSA-N 1 3 355.482 2.597 20 0 FFADHO [NH3+][C@@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1ccccc1Cl ZINC001249259734 1040656481 /nfs/dbraw/zinc/65/64/81/1040656481.db2.gz GWTIVJAQSWPFKT-AWEZNQCLSA-N 1 3 355.829 2.673 20 0 FFADHO COCCC1([NH3+])CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254298007 1040665768 /nfs/dbraw/zinc/66/57/68/1040665768.db2.gz WXNFOEYFFUSOHH-MRXNPFEDSA-N 1 3 355.523 2.606 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001254389732 1040694053 /nfs/dbraw/zinc/69/40/53/1040694053.db2.gz CIORCAQTFLZIDA-RBUKOAKNSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001254389732 1040694059 /nfs/dbraw/zinc/69/40/59/1040694059.db2.gz CIORCAQTFLZIDA-RBUKOAKNSA-N 1 3 350.551 2.909 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001254517785 1040763179 /nfs/dbraw/zinc/76/31/79/1040763179.db2.gz JRMAJPDPEPJTKD-QKNQBKEWSA-N 1 3 359.514 2.816 20 0 FFADHO C[N@H+]1CCC[C@H](N2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001254517785 1040763196 /nfs/dbraw/zinc/76/31/96/1040763196.db2.gz JRMAJPDPEPJTKD-QKNQBKEWSA-N 1 3 359.514 2.816 20 0 FFADHO CN1CCC[C@@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001254532993 1040782745 /nfs/dbraw/zinc/78/27/45/1040782745.db2.gz ZRDGAEZLDUCDCM-KGLIPLIRSA-N 1 3 358.408 2.823 20 0 FFADHO CN1CCC[C@@H]([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001254532993 1040782756 /nfs/dbraw/zinc/78/27/56/1040782756.db2.gz ZRDGAEZLDUCDCM-KGLIPLIRSA-N 1 3 358.408 2.823 20 0 FFADHO COc1ccccc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001278535477 1041004212 /nfs/dbraw/zinc/00/42/12/1041004212.db2.gz JUHIAWCRKOVEFL-UHFFFAOYSA-N 1 3 354.498 2.880 20 0 FFADHO COc1ccccc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001278535477 1041004227 /nfs/dbraw/zinc/00/42/27/1041004227.db2.gz JUHIAWCRKOVEFL-UHFFFAOYSA-N 1 3 354.498 2.880 20 0 FFADHO OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001255128282 1041162008 /nfs/dbraw/zinc/16/20/08/1041162008.db2.gz OOTUPZZCZPUNFL-SPHOGXRMSA-N 1 3 366.505 2.866 20 0 FFADHO O=C(C1CC1)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255133134 1041165491 /nfs/dbraw/zinc/16/54/91/1041165491.db2.gz ZLTKWQLIPDAPOO-XSDIEEQYSA-N 1 3 353.510 2.783 20 0 FFADHO O=C(C1CC1)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255133134 1041165499 /nfs/dbraw/zinc/16/54/99/1041165499.db2.gz ZLTKWQLIPDAPOO-XSDIEEQYSA-N 1 3 353.510 2.783 20 0 FFADHO CCN1CCO[C@@H]2C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255144172 1041170496 /nfs/dbraw/zinc/17/04/96/1041170496.db2.gz QXERDSHQWJYZHQ-LHGONGGSSA-N 1 3 369.553 2.835 20 0 FFADHO CCN1CCO[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255144172 1041170503 /nfs/dbraw/zinc/17/05/03/1041170503.db2.gz QXERDSHQWJYZHQ-LHGONGGSSA-N 1 3 369.553 2.835 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)C1 ZINC001255340021 1041275266 /nfs/dbraw/zinc/27/52/66/1041275266.db2.gz XAYCICIITQJSEB-NQIIRXRSSA-N 1 3 373.541 2.646 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H](N2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001255366701 1041296583 /nfs/dbraw/zinc/29/65/83/1041296583.db2.gz VPOKSKGKPUFMOD-SVFBPWRDSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H](N2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001255366701 1041296591 /nfs/dbraw/zinc/29/65/91/1041296591.db2.gz VPOKSKGKPUFMOD-SVFBPWRDSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255402600 1041323918 /nfs/dbraw/zinc/32/39/18/1041323918.db2.gz JWBKCQDFZBQKMV-UXHICEINSA-N 1 3 372.509 2.885 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255402600 1041323929 /nfs/dbraw/zinc/32/39/29/1041323929.db2.gz JWBKCQDFZBQKMV-UXHICEINSA-N 1 3 372.509 2.885 20 0 FFADHO COCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634635 1041513526 /nfs/dbraw/zinc/51/35/26/1041513526.db2.gz SJURHSHLKQCABO-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215036129 1041651821 /nfs/dbraw/zinc/65/18/21/1041651821.db2.gz OPPQZECFOMFSCI-RBSFLKMASA-N 1 3 362.345 2.862 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215036129 1041651825 /nfs/dbraw/zinc/65/18/25/1041651825.db2.gz OPPQZECFOMFSCI-RBSFLKMASA-N 1 3 362.345 2.862 20 0 FFADHO CCc1onc(C)c1CN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215516415 1041810781 /nfs/dbraw/zinc/81/07/81/1041810781.db2.gz HDHHPOMMVVOFIS-OLMNPRSZSA-N 1 3 364.534 2.602 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CCC(F)(F)F ZINC001215541363 1041820495 /nfs/dbraw/zinc/82/04/95/1041820495.db2.gz ZKMBGLUSGBIVDA-IOASZLSFSA-N 1 3 367.431 2.588 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001215541348 1041820579 /nfs/dbraw/zinc/82/05/79/1041820579.db2.gz YVLHLXGDQSFTDZ-QWFCFKBJSA-N 1 3 365.562 2.647 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ns2)C1)C(C)C ZINC001215982094 1041923439 /nfs/dbraw/zinc/92/34/39/1041923439.db2.gz QAAKWIDSIORHCC-ZTFGCOKTSA-N 1 3 366.575 2.754 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1Cl ZINC001216851922 1042144253 /nfs/dbraw/zinc/14/42/53/1042144253.db2.gz LKISZYYXPJYJTO-RHSMWYFYSA-N 1 3 367.921 2.625 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C[NH2+]CC=C(C)C ZINC001263971694 1042557744 /nfs/dbraw/zinc/55/77/44/1042557744.db2.gz ASEWSUNGXRLMCI-XUVXKRRUSA-N 1 3 365.562 2.670 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1)N(C)C ZINC001264467557 1042683375 /nfs/dbraw/zinc/68/33/75/1042683375.db2.gz MFJYAIZHWQOGCV-FDQGKXFDSA-N 1 3 353.457 2.680 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)CC[C@@H]2C1 ZINC001264655921 1042773466 /nfs/dbraw/zinc/77/34/66/1042773466.db2.gz SQMKCJUCHZBLPT-RTWAWAEBSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3C)CC[C@@H]2C1 ZINC001264655921 1042773469 /nfs/dbraw/zinc/77/34/69/1042773469.db2.gz SQMKCJUCHZBLPT-RTWAWAEBSA-N 1 3 357.542 2.926 20 0 FFADHO c1cn2cccc(CN3CCC4(CC[N@H+](Cc5cn[nH]c5)C4)CC3)c2n1 ZINC001279122329 1042908512 /nfs/dbraw/zinc/90/85/12/1042908512.db2.gz SBFSZQWDVCJQAA-UHFFFAOYSA-N 1 3 350.470 2.546 20 0 FFADHO c1cn2cccc(CN3CCC4(CC[N@@H+](Cc5cn[nH]c5)C4)CC3)c2n1 ZINC001279122329 1042908513 /nfs/dbraw/zinc/90/85/13/1042908513.db2.gz SBFSZQWDVCJQAA-UHFFFAOYSA-N 1 3 350.470 2.546 20 0 FFADHO COc1cc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)ccc1O ZINC001279184720 1042937033 /nfs/dbraw/zinc/93/70/33/1042937033.db2.gz AGQPZKYLWZGKPN-UHFFFAOYSA-N 1 3 356.470 2.612 20 0 FFADHO COc1cc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)ccc1O ZINC001279184720 1042937036 /nfs/dbraw/zinc/93/70/36/1042937036.db2.gz AGQPZKYLWZGKPN-UHFFFAOYSA-N 1 3 356.470 2.612 20 0 FFADHO COc1cc(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)ccc1O ZINC001279184720 1042937037 /nfs/dbraw/zinc/93/70/37/1042937037.db2.gz AGQPZKYLWZGKPN-UHFFFAOYSA-N 1 3 356.470 2.612 20 0 FFADHO COc1cc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)ccc1C ZINC001279230374 1042956181 /nfs/dbraw/zinc/95/61/81/1042956181.db2.gz XTDYDTIEFPMXKA-UHFFFAOYSA-N 1 3 354.498 2.798 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001279391734 1043046993 /nfs/dbraw/zinc/04/69/93/1043046993.db2.gz DPMKKGKDGMLGLH-GJZGRUSLSA-N 1 3 373.419 2.501 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001279391734 1043047000 /nfs/dbraw/zinc/04/70/00/1043047000.db2.gz DPMKKGKDGMLGLH-GJZGRUSLSA-N 1 3 373.419 2.501 20 0 FFADHO CC(C)Oc1ncccc1CN1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279407075 1043067519 /nfs/dbraw/zinc/06/75/19/1043067519.db2.gz XCMTXQWALKYBPV-OAQYLSRUSA-N 1 3 360.546 2.718 20 0 FFADHO CN(C)CC[NH+]1CCC2(CCCN(Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001279484111 1043169030 /nfs/dbraw/zinc/16/90/30/1043169030.db2.gz MXWZSWSGRRWXKW-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)CCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001279502185 1043197358 /nfs/dbraw/zinc/19/73/58/1043197358.db2.gz ODCJJNSQNZZKAC-UXHICEINSA-N 1 3 357.542 2.775 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)CCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001279502185 1043197363 /nfs/dbraw/zinc/19/73/63/1043197363.db2.gz ODCJJNSQNZZKAC-UXHICEINSA-N 1 3 357.542 2.775 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCN(C)C)cc1 ZINC001279567944 1043268445 /nfs/dbraw/zinc/26/84/45/1043268445.db2.gz IAEDGICAZZBEIH-BGYRXZFFSA-N 1 3 353.514 2.595 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN(C)C)cc1 ZINC001279567944 1043268447 /nfs/dbraw/zinc/26/84/47/1043268447.db2.gz IAEDGICAZZBEIH-BGYRXZFFSA-N 1 3 353.514 2.595 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1CCC2(CN(CCC3CC[NH+](C)CC3)C2)C1 ZINC001279636716 1043378803 /nfs/dbraw/zinc/37/88/03/1043378803.db2.gz RKYCTVOHWWZFAO-FQEVSTJZSA-N 1 3 357.542 2.775 20 0 FFADHO Cc1ccc(Br)c(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001279663793 1043425250 /nfs/dbraw/zinc/42/52/50/1043425250.db2.gz FQCJJKJJXDBJKZ-ROUUACIJSA-N 1 3 366.347 2.968 20 0 FFADHO COc1cc(O)ccc1CN1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001279679361 1043453946 /nfs/dbraw/zinc/45/39/46/1043453946.db2.gz FNOJMMOVCZCDBA-NRFANRHFSA-N 1 3 361.530 2.640 20 0 FFADHO COc1cc(O)ccc1CN1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001279679361 1043453953 /nfs/dbraw/zinc/45/39/53/1043453953.db2.gz FNOJMMOVCZCDBA-NRFANRHFSA-N 1 3 361.530 2.640 20 0 FFADHO Cc1c(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)ccc(F)c1F ZINC001279692258 1043480000 /nfs/dbraw/zinc/48/00/00/1043480000.db2.gz YMVJNYYNQBXODL-CALCHBBNSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1c(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)ccc(F)c1F ZINC001279692258 1043480007 /nfs/dbraw/zinc/48/00/07/1043480007.db2.gz YMVJNYYNQBXODL-CALCHBBNSA-N 1 3 365.468 2.505 20 0 FFADHO CN(CCC[NH3+])CCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC001238615662 1043790162 /nfs/dbraw/zinc/79/01/62/1043790162.db2.gz YDVSYZWINDXVJJ-UHFFFAOYSA-N 1 3 367.559 2.683 20 0 FFADHO CC[NH+](CC)CCn1cc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)cn1 ZINC001239194980 1044067176 /nfs/dbraw/zinc/06/71/76/1044067176.db2.gz NFRDCDVAUQDUDA-UHFFFAOYSA-N 1 3 372.517 2.730 20 0 FFADHO CCCCOc1ccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239214078 1044071632 /nfs/dbraw/zinc/07/16/32/1044071632.db2.gz FTUGQVSHKMCWTF-KRWDZBQOSA-N 1 3 360.502 2.861 20 0 FFADHO CN(C)CCN(C(=O)Oc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC001239339841 1044100426 /nfs/dbraw/zinc/10/04/26/1044100426.db2.gz AJHUBPSKNXYTEY-CQSZACIVSA-N 1 3 370.291 2.564 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC[C@@]2(CCCN(C[C@@H]3COCCO3)C2)C1 ZINC001280028591 1044104401 /nfs/dbraw/zinc/10/44/01/1044104401.db2.gz NBACEPZXPIWVPB-IEBWSBKVSA-N 1 3 365.543 2.545 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC[C@@]2(CCCN(C[C@@H]3COCCO3)C2)C1 ZINC001280028591 1044104410 /nfs/dbraw/zinc/10/44/10/1044104410.db2.gz NBACEPZXPIWVPB-IEBWSBKVSA-N 1 3 365.543 2.545 20 0 FFADHO CC/C=C\CC[NH+]1CCC(N2CCC(C(=O)N(C)CCOC)CC2)CC1 ZINC001280028539 1044104434 /nfs/dbraw/zinc/10/44/34/1044104434.db2.gz LTOKPVFPNFBNON-WAYWQWQTSA-N 1 3 365.562 2.624 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)N(C)C)cc1 ZINC001312818374 1044176765 /nfs/dbraw/zinc/17/67/65/1044176765.db2.gz MGCLLXLAGQVADE-HKBOAZHASA-N 1 3 372.557 2.833 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)N(C)C)cc1 ZINC001312818374 1044176767 /nfs/dbraw/zinc/17/67/67/1044176767.db2.gz MGCLLXLAGQVADE-HKBOAZHASA-N 1 3 372.557 2.833 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC001312995265 1044207777 /nfs/dbraw/zinc/20/77/77/1044207777.db2.gz UFXMDYGJCWTZPD-AVRDEDQJSA-N 1 3 374.573 2.926 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC001312995265 1044207788 /nfs/dbraw/zinc/20/77/88/1044207788.db2.gz UFXMDYGJCWTZPD-AVRDEDQJSA-N 1 3 374.573 2.926 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)CC2)CC1 ZINC001313315700 1044312704 /nfs/dbraw/zinc/31/27/04/1044312704.db2.gz LIPOHYSIUZCCHS-RGVPCPSESA-N 1 3 350.551 2.621 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)CC2)CC1 ZINC001313315700 1044312715 /nfs/dbraw/zinc/31/27/15/1044312715.db2.gz LIPOHYSIUZCCHS-RGVPCPSESA-N 1 3 350.551 2.621 20 0 FFADHO COC(=O)CC[NH+]1CCC2(CCCN(Cc3scnc3C)C2)CC1 ZINC001280155016 1044314383 /nfs/dbraw/zinc/31/43/83/1044314383.db2.gz ULTQJEJGHAJSOL-UHFFFAOYSA-N 1 3 351.516 2.693 20 0 FFADHO c1ccc(CN2CCC=C(c3cnc(OC4CC[NH2+]CC4)nc3)C2)cc1 ZINC001240388570 1044325744 /nfs/dbraw/zinc/32/57/44/1044325744.db2.gz GEZXTZIZLCYWKV-UHFFFAOYSA-N 1 3 350.466 2.897 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001313426618 1044353831 /nfs/dbraw/zinc/35/38/31/1044353831.db2.gz ZGQFTRNNQDUHAR-PCCBWWKXSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001313426618 1044353834 /nfs/dbraw/zinc/35/38/34/1044353834.db2.gz ZGQFTRNNQDUHAR-PCCBWWKXSA-N 1 3 372.557 2.533 20 0 FFADHO CC[NH+](CC)CCCn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001313720700 1044410367 /nfs/dbraw/zinc/41/03/67/1044410367.db2.gz YHCZQNNPZADHQY-UHFFFAOYSA-N 1 3 362.566 2.665 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCSC12CN(CC(C)(C)C)C2 ZINC001280243186 1044457655 /nfs/dbraw/zinc/45/76/55/1044457655.db2.gz HGHRJRUPQMGKDQ-INIZCTEOSA-N 1 3 355.592 2.640 20 0 FFADHO Cc1ccc(OCC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1 ZINC001280250482 1044474298 /nfs/dbraw/zinc/47/42/98/1044474298.db2.gz LGXQDFCKFULBTM-UHFFFAOYSA-N 1 3 354.498 2.668 20 0 FFADHO CCC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)Nc3cn[nH]c3)CC2)CC1 ZINC001280258200 1044483305 /nfs/dbraw/zinc/48/33/05/1044483305.db2.gz LCWQZPYHFVXMHR-MRXNPFEDSA-N 1 3 361.534 2.961 20 0 FFADHO C[NH+]1CCC(n2cc(-c3nc(CN)ccc3NC(=O)C(C)(C)C)cn2)CC1 ZINC001242726160 1044780109 /nfs/dbraw/zinc/78/01/09/1044780109.db2.gz IRUPJIMFBDLWSG-UHFFFAOYSA-N 1 3 370.501 2.655 20 0 FFADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316719979 1044828966 /nfs/dbraw/zinc/82/89/66/1044828966.db2.gz BLVFCJKHDWWGKY-WOJBJXKFSA-N 1 3 361.505 2.996 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C)N1CCCC1 ZINC001316800119 1045026013 /nfs/dbraw/zinc/02/60/13/1045026013.db2.gz SCKHRJRHSNFLDA-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C)N1CCCC1 ZINC001316800119 1045026030 /nfs/dbraw/zinc/02/60/30/1045026030.db2.gz SCKHRJRHSNFLDA-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC001321869236 1045848690 /nfs/dbraw/zinc/84/86/90/1045848690.db2.gz VEWUMDZRKLTBAV-RTBURBONSA-N 1 3 359.514 2.650 20 0 FFADHO CO[C@]1(C)C[C@H](NCC2(C[NH2+][C@H]3C[C@](C)(OC)C3(C)C)COC2)C1(C)C ZINC001324438784 1046031532 /nfs/dbraw/zinc/03/15/32/1046031532.db2.gz UEFXXXWOGQTCAD-CPLUKWAASA-N 1 3 368.562 2.589 20 0 FFADHO CO[C@]1(C)C[C@H]([NH2+]CC2(CN[C@H]3C[C@](C)(OC)C3(C)C)COC2)C1(C)C ZINC001324438784 1046031546 /nfs/dbraw/zinc/03/15/46/1046031546.db2.gz UEFXXXWOGQTCAD-CPLUKWAASA-N 1 3 368.562 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cccc(Cl)c2F)C2CC2)CC[N@@H+]1C ZINC001323000895 1046301666 /nfs/dbraw/zinc/30/16/66/1046301666.db2.gz SLLCVWAJMSEJNW-SRCQZFHVSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cccc(Cl)c2F)C2CC2)CC[N@H+]1C ZINC001323000895 1046301676 /nfs/dbraw/zinc/30/16/76/1046301676.db2.gz SLLCVWAJMSEJNW-SRCQZFHVSA-N 1 3 367.896 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2ncccc2C)C(C)(C)C)CC[N@@H+]1C ZINC001284587590 1046582519 /nfs/dbraw/zinc/58/25/19/1046582519.db2.gz ANJRPRDJPXJJNH-QXAKKESOSA-N 1 3 360.546 2.741 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2ncccc2C)C(C)(C)C)CC[N@H+]1C ZINC001284587590 1046582531 /nfs/dbraw/zinc/58/25/31/1046582531.db2.gz ANJRPRDJPXJJNH-QXAKKESOSA-N 1 3 360.546 2.741 20 0 FFADHO Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001325841060 1046658261 /nfs/dbraw/zinc/65/82/61/1046658261.db2.gz VNFCLELYZGMQIE-QFIPXVFZSA-N 1 3 353.510 2.566 20 0 FFADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C[NH2+]C(C)(C)C ZINC001325966980 1046703967 /nfs/dbraw/zinc/70/39/67/1046703967.db2.gz OICNTYRBJNJBSV-UHFFFAOYSA-N 1 3 370.335 2.727 20 0 FFADHO CC(C)C[NH2+]CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001326595421 1046993777 /nfs/dbraw/zinc/99/37/77/1046993777.db2.gz IEIKJHIYJRHEAO-UHFFFAOYSA-N 1 3 359.436 2.841 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1)N1CCCCC1 ZINC001316648891 1048368157 /nfs/dbraw/zinc/36/81/57/1048368157.db2.gz BLZDJGRLJOHVRM-ZWKOTPCHSA-N 1 3 358.530 2.721 20 0 FFADHO NCc1nc2c(s1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001333243360 1048780197 /nfs/dbraw/zinc/78/01/97/1048780197.db2.gz IFELOBBMTOYCFE-KRWDZBQOSA-N 1 3 370.522 2.541 20 0 FFADHO NCc1nc2c(s1)CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001333243360 1048780205 /nfs/dbraw/zinc/78/02/05/1048780205.db2.gz IFELOBBMTOYCFE-KRWDZBQOSA-N 1 3 370.522 2.541 20 0 FFADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCN(C(C)(C)C)CC2)cc1 ZINC001291890763 1048973178 /nfs/dbraw/zinc/97/31/78/1048973178.db2.gz JDHNHZZVSPZVKV-DHZHZOJOSA-N 1 3 359.514 2.583 20 0 FFADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)Cc1ccccc1 ZINC001333664773 1049039999 /nfs/dbraw/zinc/03/99/99/1049039999.db2.gz AKZLPANBPVLHIE-BQJUDKOJSA-N 1 3 372.557 2.531 20 0 FFADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1cccc2c1CNC2 ZINC001330988297 1049427292 /nfs/dbraw/zinc/42/72/92/1049427292.db2.gz JGBLDHQUVOBYTI-LJQANCHMSA-N 1 3 362.477 2.827 20 0 FFADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)c1cccc2c1CNC2 ZINC001330988297 1049427299 /nfs/dbraw/zinc/42/72/99/1049427299.db2.gz JGBLDHQUVOBYTI-LJQANCHMSA-N 1 3 362.477 2.827 20 0 FFADHO CCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC1CC[NH+](C2CC2)CC1 ZINC001292907477 1049434650 /nfs/dbraw/zinc/43/46/50/1049434650.db2.gz SOFWCXNJWZTTQD-SJORKVTESA-N 1 3 374.577 2.634 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001293093831 1049483866 /nfs/dbraw/zinc/48/38/66/1049483866.db2.gz YCURAUKLFZQXSS-KRWDZBQOSA-N 1 3 364.582 2.737 20 0 FFADHO CCc1nc(CN[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)cs1 ZINC001331199615 1049504698 /nfs/dbraw/zinc/50/46/98/1049504698.db2.gz JOKKKVKCRXXVEL-DJIMGWMZSA-N 1 3 366.575 2.666 20 0 FFADHO CCc1nc(CN[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)cs1 ZINC001331199615 1049504713 /nfs/dbraw/zinc/50/47/13/1049504713.db2.gz JOKKKVKCRXXVEL-DJIMGWMZSA-N 1 3 366.575 2.666 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001295994040 1050009265 /nfs/dbraw/zinc/00/92/65/1050009265.db2.gz GDOLCMKGKJKMAY-IKGGRYGDSA-N 1 3 362.566 2.805 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC001301867598 1051006833 /nfs/dbraw/zinc/00/68/33/1051006833.db2.gz NUGMCPDOUAWQLH-STZQEDGTSA-N 1 3 355.526 2.699 20 0 FFADHO Cn1c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)ccc1[C@H]1CCCC[NH2+]1 ZINC001340632571 1051009056 /nfs/dbraw/zinc/00/90/56/1051009056.db2.gz VGKYYKAQIFNFMT-XLIONFOSSA-N 1 3 368.481 2.753 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1ccc([C@@H]2CCCC[NH2+]2)n1C)c1ccccc1 ZINC001340774823 1051125251 /nfs/dbraw/zinc/12/52/51/1051125251.db2.gz VYCOTKUSANHBTO-PXNSSMCTSA-N 1 3 354.498 2.872 20 0 FFADHO CC(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001302690136 1051172222 /nfs/dbraw/zinc/17/22/22/1051172222.db2.gz QNYDKFGWMCQVJU-UHFFFAOYSA-N 1 3 360.550 2.562 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3[NH2+]CC34CCCC4)c(C)c2)CC1 ZINC001340892244 1051220870 /nfs/dbraw/zinc/22/08/70/1051220870.db2.gz CWNNMPHMXJUHNH-IBGZPJMESA-N 1 3 356.514 2.608 20 0 FFADHO C[C@@H](CSC(F)(F)F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001542524973 1071247887 /nfs/dbraw/zinc/24/78/87/1071247887.db2.gz BMDNENMVFBHVJN-LBPRGKRZSA-N 1 3 367.481 2.550 20 0 FFADHO Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H](c1cccs1)N(C)C ZINC001304806645 1051711586 /nfs/dbraw/zinc/71/15/86/1051711586.db2.gz FLNJMFLNCXOZQI-BHYGNILZSA-N 1 3 374.558 2.624 20 0 FFADHO Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](c1cccs1)N(C)C ZINC001304806645 1051711591 /nfs/dbraw/zinc/71/15/91/1051711591.db2.gz FLNJMFLNCXOZQI-BHYGNILZSA-N 1 3 374.558 2.624 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(C)ns1 ZINC001316707650 1051928682 /nfs/dbraw/zinc/92/86/82/1051928682.db2.gz CVDGRLZQNPSZNX-ZBFHGGJFSA-N 1 3 352.548 2.510 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc3n(n2)CCC[C@H]3N)cc1 ZINC001343372141 1052189628 /nfs/dbraw/zinc/18/96/28/1052189628.db2.gz PUZIBPFHKNAKLG-QGZVFWFLSA-N 1 3 371.485 2.650 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC001308330871 1052446877 /nfs/dbraw/zinc/44/68/77/1052446877.db2.gz PNRCPQGAXDHEPO-PMACEKPBSA-N 1 3 354.498 2.853 20 0 FFADHO CC(C)CC[NH+]1CCC(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC001308747391 1052495033 /nfs/dbraw/zinc/49/50/33/1052495033.db2.gz NGTPMEOVIFWHFV-GGAORHGYSA-N 1 3 373.585 2.970 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])c1ccsc1 ZINC001335929126 1053650031 /nfs/dbraw/zinc/65/00/31/1053650031.db2.gz IGYIXIUWTREWLQ-LZLYRXPVSA-N 1 3 350.532 2.654 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)C[C@@H](C)O1 ZINC001336738947 1054181744 /nfs/dbraw/zinc/18/17/44/1054181744.db2.gz JFMWWOKKCHUWDA-HZPDHXFCSA-N 1 3 351.466 2.633 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc4cnccc4o3)CC2)CC1 ZINC001348978730 1055030431 /nfs/dbraw/zinc/03/04/31/1055030431.db2.gz MFWVHXOHEPHXQV-UHFFFAOYSA-N 1 3 370.497 2.640 20 0 FFADHO CCOc1ncccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849058297 1055612204 /nfs/dbraw/zinc/61/22/04/1055612204.db2.gz PUZMLKZICINBLC-UHFFFAOYSA-N 1 3 367.497 2.759 20 0 FFADHO O[C@@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)COCc1ccc(Cl)cc1 ZINC001356620847 1055619199 /nfs/dbraw/zinc/61/91/99/1055619199.db2.gz GMHUDKKMXPUWHJ-ICSRJNTNSA-N 1 3 366.933 2.929 20 0 FFADHO O[C@@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)COCc1ccc(Cl)cc1 ZINC001356620847 1055619202 /nfs/dbraw/zinc/61/92/02/1055619202.db2.gz GMHUDKKMXPUWHJ-ICSRJNTNSA-N 1 3 366.933 2.929 20 0 FFADHO O[C@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)COCc1ccc(Cl)cc1 ZINC001356620846 1055619237 /nfs/dbraw/zinc/61/92/37/1055619237.db2.gz GMHUDKKMXPUWHJ-AZUAARDMSA-N 1 3 366.933 2.929 20 0 FFADHO O[C@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)COCc1ccc(Cl)cc1 ZINC001356620846 1055619238 /nfs/dbraw/zinc/61/92/38/1055619238.db2.gz GMHUDKKMXPUWHJ-AZUAARDMSA-N 1 3 366.933 2.929 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001350842720 1055965001 /nfs/dbraw/zinc/96/50/01/1055965001.db2.gz PWBISAYTYVCSBC-GUDVDZBRSA-N 1 3 374.577 2.715 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001350842720 1055965015 /nfs/dbraw/zinc/96/50/15/1055965015.db2.gz PWBISAYTYVCSBC-GUDVDZBRSA-N 1 3 374.577 2.715 20 0 FFADHO Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001351228913 1056144579 /nfs/dbraw/zinc/14/45/79/1056144579.db2.gz SKACYZOKNGAJEL-OALUTQOASA-N 1 3 374.577 2.717 20 0 FFADHO CCOc1ccccc1[C@H](N)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001353449028 1056415542 /nfs/dbraw/zinc/41/55/42/1056415542.db2.gz YZKPEJRBRUCKRC-MOPGFXCFSA-N 1 3 355.482 2.894 20 0 FFADHO CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001353557899 1056531498 /nfs/dbraw/zinc/53/14/98/1056531498.db2.gz DMZMTGBIJANKAM-IEBWSBKVSA-N 1 3 374.529 2.555 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(CC(C)C)s1 ZINC001545058476 1071727943 /nfs/dbraw/zinc/72/79/43/1071727943.db2.gz JUPWUECKUKFZFD-INIZCTEOSA-N 1 3 366.575 2.830 20 0 FFADHO C[C@H]1C[C@@H](NC(=S)NCCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001200439761 1058181693 /nfs/dbraw/zinc/18/16/93/1058181693.db2.gz WJPBZTDBTDWTQY-ICSRJNTNSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@H]1C[C@@H](NC(=S)NCCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001200439761 1058181702 /nfs/dbraw/zinc/18/17/02/1058181702.db2.gz WJPBZTDBTDWTQY-ICSRJNTNSA-N 1 3 374.598 2.990 20 0 FFADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001499178033 1058256917 /nfs/dbraw/zinc/25/69/17/1058256917.db2.gz JLXWIZJGHMGHBI-SFHVURJKSA-N 1 3 364.582 2.595 20 0 FFADHO Cc1ccc([C@@H](N)C(=O)Nc2ccc3nc(C4CC[NH2+]CC4)[nH]c3c2)cc1 ZINC001354669519 1059345952 /nfs/dbraw/zinc/34/59/52/1059345952.db2.gz FOZFLFLDTNLQLJ-LJQANCHMSA-N 1 3 363.465 2.977 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001547637413 1071979657 /nfs/dbraw/zinc/97/96/57/1071979657.db2.gz ZAMXNCAAXDNICI-IAGOWNOFSA-N 1 3 362.566 2.590 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001521562331 1060969987 /nfs/dbraw/zinc/96/99/87/1060969987.db2.gz XOAWQYIHMPJGIX-HSALFYBXSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1CN(Cc2ccc(CN3CCOCC3)cc2)CCN1c1cc[nH+]cc1 ZINC001460712622 1061071960 /nfs/dbraw/zinc/07/19/60/1061071960.db2.gz WGNGBXMGXJIFJX-IBGZPJMESA-N 1 3 366.509 2.625 20 0 FFADHO C[NH+](C)Cc1ccc(CN2C[C@@H]3COC[C@@]3(C)C2)c2c1OC(F)(F)O2 ZINC001462439281 1061624113 /nfs/dbraw/zinc/62/41/13/1061624113.db2.gz ODPPGHYZKZJLIE-RHSMWYFYSA-N 1 3 354.397 2.538 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001478962496 1062163999 /nfs/dbraw/zinc/16/39/99/1062163999.db2.gz SHKYDNUFSZVCCL-HOJAQTOUSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001478962496 1062164008 /nfs/dbraw/zinc/16/40/08/1062164008.db2.gz SHKYDNUFSZVCCL-HOJAQTOUSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001435195660 1062414811 /nfs/dbraw/zinc/41/48/11/1062414811.db2.gz RXWYVHYEAOKJJK-GHTZIAJQSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001435195660 1062414818 /nfs/dbraw/zinc/41/48/18/1062414818.db2.gz RXWYVHYEAOKJJK-GHTZIAJQSA-N 1 3 361.505 2.980 20 0 FFADHO CCc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001479475974 1062452736 /nfs/dbraw/zinc/45/27/36/1062452736.db2.gz NWYYDKRJTGOJRP-JRGCBEDISA-N 1 3 357.542 2.965 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001546447464 1062544323 /nfs/dbraw/zinc/54/43/23/1062544323.db2.gz YFUCBQDEOJRIGF-DLBZAZTESA-N 1 3 362.566 2.634 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1scnc1C ZINC001479578652 1062573067 /nfs/dbraw/zinc/57/30/67/1062573067.db2.gz OAMCDNVCFMTNDW-ZBFHGGJFSA-N 1 3 352.548 2.510 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC001472318864 1065013450 /nfs/dbraw/zinc/01/34/50/1065013450.db2.gz YMCSYSSINLHTPM-ANULTFPQSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC001472318864 1065013461 /nfs/dbraw/zinc/01/34/61/1065013461.db2.gz YMCSYSSINLHTPM-ANULTFPQSA-N 1 3 357.542 2.990 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)[C@H](C)[NH3+] ZINC001576095235 1078194810 /nfs/dbraw/zinc/19/48/10/1078194810.db2.gz CQRAXYDZNQAQPI-ZWKOTPCHSA-N 1 3 358.530 2.952 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(c2nnc(C3CC3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001576125470 1078198276 /nfs/dbraw/zinc/19/82/76/1078198276.db2.gz AZUICESXHIDVCO-BPUTZDHNSA-N 1 3 374.558 2.693 20 0 FFADHO Cc1nc2ccccn2c1C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001473976277 1065431546 /nfs/dbraw/zinc/43/15/46/1065431546.db2.gz JKDPRCUWKDQRKC-UHFFFAOYSA-N 1 3 363.509 2.680 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001474759180 1065598046 /nfs/dbraw/zinc/59/80/46/1065598046.db2.gz DBJPVFMPYNODAT-KRWDZBQOSA-N 1 3 370.582 2.686 20 0 FFADHO CC[C@@H](C)c1nnc(N2CC[NH2+]CC2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001577032629 1078296955 /nfs/dbraw/zinc/29/69/55/1078296955.db2.gz SHNGSIRKHHKNBX-SJORKVTESA-N 1 3 372.517 2.631 20 0 FFADHO CCC(CC)(C[NH3+])NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001577051913 1078298458 /nfs/dbraw/zinc/29/84/58/1078298458.db2.gz FXLFUOHPHILMMQ-MRXNPFEDSA-N 1 3 353.457 2.778 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccsc1 ZINC001577680936 1078387392 /nfs/dbraw/zinc/38/73/92/1078387392.db2.gz IBTVVCVPZMEDGM-JZXOWHBKSA-N 1 3 350.532 2.654 20 0 FFADHO CN(C)[C@@H](Cn1c(C2CC2)nnc1N1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC001578409301 1078471045 /nfs/dbraw/zinc/47/10/45/1078471045.db2.gz WKUPHGBRYUHKRZ-SFHVURJKSA-N 1 3 372.492 2.525 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC001578525486 1078488212 /nfs/dbraw/zinc/48/82/12/1078488212.db2.gz XTFLIXCTDJGUBB-UHFFFAOYSA-N 1 3 353.466 2.662 20 0 FFADHO Cc1cc(NC(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)cc(N2CCN(C(C)C)CC2)c1 ZINC001579632949 1078652836 /nfs/dbraw/zinc/65/28/36/1078652836.db2.gz RCUVXLRXVNGEKS-RBBKRZOGSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@@H+]1C ZINC001549385079 1073782515 /nfs/dbraw/zinc/78/25/15/1073782515.db2.gz TWINBKJSEOUSKD-SJORKVTESA-N 1 3 352.482 2.614 20 0 FFADHO C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@H+]1C ZINC001549385079 1073782518 /nfs/dbraw/zinc/78/25/18/1073782518.db2.gz TWINBKJSEOUSKD-SJORKVTESA-N 1 3 352.482 2.614 20 0 FFADHO C[C@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001549600428 1073935114 /nfs/dbraw/zinc/93/51/14/1073935114.db2.gz RTDHBIHCTBUGJV-IUODEOHRSA-N 1 3 366.893 2.685 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(-c4cc[nH]n4)o3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423946 1074262678 /nfs/dbraw/zinc/26/26/78/1074262678.db2.gz UYMUXFNNLZOCEQ-UMGGQSCQSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(-c4cc[nH]n4)o3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423946 1074262689 /nfs/dbraw/zinc/26/26/89/1074262689.db2.gz UYMUXFNNLZOCEQ-UMGGQSCQSA-N 1 3 358.486 2.629 20 0 FFADHO CC[C@H]1NCCC[C@H]1[NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001550473823 1074291240 /nfs/dbraw/zinc/29/12/40/1074291240.db2.gz ONDJMFQLFOVSGA-NHCUHLMSSA-N 1 3 358.530 2.730 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@H](n2cncn2)C1 ZINC001551398471 1074716781 /nfs/dbraw/zinc/71/67/81/1074716781.db2.gz FFZIMBYLVWQCNA-KBKAQKEBSA-N 1 3 361.534 2.631 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(C(C)(C)C)cs1 ZINC001584324271 1079340690 /nfs/dbraw/zinc/34/06/90/1079340690.db2.gz JGHYEDKQBYFNAW-OAHLLOKOSA-N 1 3 366.575 2.929 20 0 FFADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C2 ZINC001552184232 1075012811 /nfs/dbraw/zinc/01/28/11/1075012811.db2.gz BRXPBGORUHHYRA-SBHAEUEKSA-N 1 3 356.514 2.594 20 0 FFADHO O=C(Nc1ccccc1CN1CCCCC1)C1C[NH+](C2CCOCC2)C1 ZINC001553643480 1075356651 /nfs/dbraw/zinc/35/66/51/1075356651.db2.gz ZQWSHHBQQPWUAJ-UHFFFAOYSA-N 1 3 357.498 2.722 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001556200926 1075715723 /nfs/dbraw/zinc/71/57/23/1075715723.db2.gz IXBQPQZBKVVPPO-NJDAHSKKSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@@H]3C)C[N@@H+]2C1 ZINC001556898964 1075786782 /nfs/dbraw/zinc/78/67/82/1075786782.db2.gz UTXKOIJRNJNUEA-CYPWRKRPSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@@H]3C)C[N@H+]2C1 ZINC001556898964 1075786783 /nfs/dbraw/zinc/78/67/83/1075786783.db2.gz UTXKOIJRNJNUEA-CYPWRKRPSA-N 1 3 355.526 2.886 20 0 FFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC001560395694 1076270178 /nfs/dbraw/zinc/27/01/78/1076270178.db2.gz XYJBYARLJDNUKK-WOJBJXKFSA-N 1 3 370.497 2.553 20 0 FFADHO COCCOc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC001560436487 1076273425 /nfs/dbraw/zinc/27/34/25/1076273425.db2.gz HNRNPLFALNDCBD-OAQYLSRUSA-N 1 3 370.493 2.568 20 0 FFADHO COCCOc1cccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC001560436487 1076273428 /nfs/dbraw/zinc/27/34/28/1076273428.db2.gz HNRNPLFALNDCBD-OAQYLSRUSA-N 1 3 370.493 2.568 20 0 FFADHO COC(=O)[C@](C)(C[NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccccc1 ZINC001560759933 1076297529 /nfs/dbraw/zinc/29/75/29/1076297529.db2.gz QNPZFBRZVNSVLR-KITAHSCOSA-N 1 3 374.525 2.740 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CC[N@H+](C)C1 ZINC001563637898 1076572085 /nfs/dbraw/zinc/57/20/85/1076572085.db2.gz LRDZDRAWCLTLHV-UXHICEINSA-N 1 3 360.546 2.977 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC001563637898 1076572090 /nfs/dbraw/zinc/57/20/90/1076572090.db2.gz LRDZDRAWCLTLHV-UXHICEINSA-N 1 3 360.546 2.977 20 0 FFADHO CCc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001565908112 1076794254 /nfs/dbraw/zinc/79/42/54/1076794254.db2.gz JHZJTIUXNUYLEY-BBTUJRGHSA-N 1 3 357.542 2.965 20 0 FFADHO CCO[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCC(C)C ZINC001565947907 1076806839 /nfs/dbraw/zinc/80/68/39/1076806839.db2.gz YIKSUIOGUVCPOC-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc3cccnc32)[C@@H]1C)N(C)C ZINC001566111198 1076915311 /nfs/dbraw/zinc/91/53/11/1076915311.db2.gz UUWFDFMAOXTLST-LKUPVBHCSA-N 1 3 368.525 2.900 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc3cccnc32)[C@@H]1C)N(C)C ZINC001566111198 1076915314 /nfs/dbraw/zinc/91/53/14/1076915314.db2.gz UUWFDFMAOXTLST-LKUPVBHCSA-N 1 3 368.525 2.900 20 0 FFADHO COc1ccc(Cl)cc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571387879 1077249396 /nfs/dbraw/zinc/24/93/96/1077249396.db2.gz DRYNZVNGUVPHKV-CKEIUWERSA-N 1 3 367.921 2.625 20 0 FFADHO COc1ccc(Cl)cc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571387879 1077249397 /nfs/dbraw/zinc/24/93/97/1077249397.db2.gz DRYNZVNGUVPHKV-CKEIUWERSA-N 1 3 367.921 2.625 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@@H+]4C3)cc2)CC1 ZINC001587259142 1079763139 /nfs/dbraw/zinc/76/31/39/1079763139.db2.gz GUJRWLSWZSQOIK-OPYAIIAOSA-N 1 3 370.541 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@H+]4C3)cc2)CC1 ZINC001587259142 1079763151 /nfs/dbraw/zinc/76/31/51/1079763151.db2.gz GUJRWLSWZSQOIK-OPYAIIAOSA-N 1 3 370.541 2.887 20 0 FFADHO CC(C)C[N@H+](CCOc1ccccc1-c1nnn[n-]1)CC1CC[NH+](C)CC1 ZINC001589618168 1080637558 /nfs/dbraw/zinc/63/75/58/1080637558.db2.gz DYRYRFPFIZUSBD-UHFFFAOYSA-N 1 3 372.517 2.545 20 0 FFADHO CC(C)C[N@@H+](CCOc1ccccc1-c1nnn[n-]1)CC1CC[NH+](C)CC1 ZINC001589618168 1080637562 /nfs/dbraw/zinc/63/75/62/1080637562.db2.gz DYRYRFPFIZUSBD-UHFFFAOYSA-N 1 3 372.517 2.545 20 0 FFADHO CC(C)C[N@H+](CCOc1ccccc1-c1nn[n-]n1)CC1CC[NH+](C)CC1 ZINC001589618168 1080637567 /nfs/dbraw/zinc/63/75/67/1080637567.db2.gz DYRYRFPFIZUSBD-UHFFFAOYSA-N 1 3 372.517 2.545 20 0 FFADHO CC(C)C[N@@H+](CCOc1ccccc1-c1nn[n-]n1)CC1CC[NH+](C)CC1 ZINC001589618168 1080637570 /nfs/dbraw/zinc/63/75/70/1080637570.db2.gz DYRYRFPFIZUSBD-UHFFFAOYSA-N 1 3 372.517 2.545 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093770401 250046358 /nfs/dbraw/zinc/04/63/58/250046358.db2.gz DKGKTBQIQGOWJL-IBGZPJMESA-N 1 3 358.574 2.991 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093770401 250046361 /nfs/dbraw/zinc/04/63/61/250046361.db2.gz DKGKTBQIQGOWJL-IBGZPJMESA-N 1 3 358.574 2.991 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000105112529 250198194 /nfs/dbraw/zinc/19/81/94/250198194.db2.gz UNRLTSABBKYTOL-FQEVSTJZSA-N 1 3 358.530 2.695 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(Cc2cccs2)CC1)[N@H+](C)C1CC1 ZINC000105208195 250204390 /nfs/dbraw/zinc/20/43/90/250204390.db2.gz HEJSVSSKAOUNII-OAHLLOKOSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(Cc2cccs2)CC1)[N@@H+](C)C1CC1 ZINC000105208195 250204395 /nfs/dbraw/zinc/20/43/95/250204395.db2.gz HEJSVSSKAOUNII-OAHLLOKOSA-N 1 3 364.559 2.742 20 0 FFADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000264606685 251320856 /nfs/dbraw/zinc/32/08/56/251320856.db2.gz GOITVECZZUDSOH-FUHWJXTLSA-N 1 3 369.431 2.509 20 0 FFADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000264606685 251320860 /nfs/dbraw/zinc/32/08/60/251320860.db2.gz GOITVECZZUDSOH-FUHWJXTLSA-N 1 3 369.431 2.509 20 0 FFADHO CO[C@H](C)[C@@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000268811821 251390515 /nfs/dbraw/zinc/39/05/15/251390515.db2.gz DLQBGCUZVSFWTL-IAGOWNOFSA-N 1 3 350.503 2.689 20 0 FFADHO CO[C@H](C)[C@@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268811821 251390518 /nfs/dbraw/zinc/39/05/18/251390518.db2.gz DLQBGCUZVSFWTL-IAGOWNOFSA-N 1 3 350.503 2.689 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272393547 252028378 /nfs/dbraw/zinc/02/83/78/252028378.db2.gz JEIPHHHXQMXNGM-XLIONFOSSA-N 1 3 374.529 2.965 20 0 FFADHO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272407588 252031429 /nfs/dbraw/zinc/03/14/29/252031429.db2.gz FHARPDUDNRDIGJ-YLJYHZDGSA-N 1 3 367.493 2.551 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000272696507 252106010 /nfs/dbraw/zinc/10/60/10/252106010.db2.gz XJVAGRAWIPAWRK-KRWDZBQOSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272697510 252106089 /nfs/dbraw/zinc/10/60/89/252106089.db2.gz XLAIADKFDXKWFQ-NQIIRXRSSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@@H](NCCNC(=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272697510 252106094 /nfs/dbraw/zinc/10/60/94/252106094.db2.gz XLAIADKFDXKWFQ-NQIIRXRSSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@@H](NCCNC(=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272697510 252106099 /nfs/dbraw/zinc/10/60/99/252106099.db2.gz XLAIADKFDXKWFQ-NQIIRXRSSA-N 1 3 351.494 2.917 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000272729208 252116824 /nfs/dbraw/zinc/11/68/24/252116824.db2.gz KJWSCVOPUAHMOE-SFHVURJKSA-N 1 3 370.541 2.909 20 0 FFADHO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1=CCN(C)CC1 ZINC000272876932 252153394 /nfs/dbraw/zinc/15/33/94/252153394.db2.gz XKUPCGHEVLOADS-KRWDZBQOSA-N 1 3 356.514 2.732 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272774120 252127739 /nfs/dbraw/zinc/12/77/39/252127739.db2.gz QNKWQNWBILHTJH-WAOWUJCRSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272774120 252127742 /nfs/dbraw/zinc/12/77/42/252127742.db2.gz QNKWQNWBILHTJH-WAOWUJCRSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272949521 252171818 /nfs/dbraw/zinc/17/18/18/252171818.db2.gz MPFAUAKDMLMJCD-UYAOXDASSA-N 1 3 370.541 2.800 20 0 FFADHO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272949521 252171822 /nfs/dbraw/zinc/17/18/22/252171822.db2.gz MPFAUAKDMLMJCD-UYAOXDASSA-N 1 3 370.541 2.800 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000273069212 252207291 /nfs/dbraw/zinc/20/72/91/252207291.db2.gz ZGDIUEPMSDCMJT-OALUTQOASA-N 1 3 370.541 2.943 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273069212 252207296 /nfs/dbraw/zinc/20/72/96/252207296.db2.gz ZGDIUEPMSDCMJT-OALUTQOASA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000273069215 252207899 /nfs/dbraw/zinc/20/78/99/252207899.db2.gz ZGDIUEPMSDCMJT-RBUKOAKNSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273069215 252207905 /nfs/dbraw/zinc/20/79/05/252207905.db2.gz ZGDIUEPMSDCMJT-RBUKOAKNSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NCc1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1)c1cnn(C)c1 ZINC000273245720 252262482 /nfs/dbraw/zinc/26/24/82/252262482.db2.gz BGMHPMLGUJKYQI-IYBDPMFKSA-N 1 3 352.486 2.855 20 0 FFADHO C[C@@H]([NH2+]Cc1cccc(CN[C@@H](C)c2cnn(C)c2)c1)c1cnn(C)c1 ZINC000273245720 252262485 /nfs/dbraw/zinc/26/24/85/252262485.db2.gz BGMHPMLGUJKYQI-IYBDPMFKSA-N 1 3 352.486 2.855 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000275705183 256040569 /nfs/dbraw/zinc/04/05/69/256040569.db2.gz TVBLOAAYVPHEHY-IBGZPJMESA-N 1 3 358.530 2.986 20 0 FFADHO Cc1cccc2c1CN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000276989511 256149731 /nfs/dbraw/zinc/14/97/31/256149731.db2.gz ICDJPPKLXXXRRY-UHFFFAOYSA-N 1 3 370.541 2.621 20 0 FFADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000276958234 256146465 /nfs/dbraw/zinc/14/64/65/256146465.db2.gz GBLUIALXJZSIAZ-ROUUACIJSA-N 1 3 366.509 2.931 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000278381925 256306131 /nfs/dbraw/zinc/30/61/31/256306131.db2.gz FEQHOZNXETUAJM-IEBWSBKVSA-N 1 3 371.529 2.680 20 0 FFADHO c1ccc(CN2CC[C@H](N3CCN(CCC[NH+]4CCCCC4)CC3)C2)cc1 ZINC000286074312 257019113 /nfs/dbraw/zinc/01/91/13/257019113.db2.gz RZIYDTDKQNPJHN-QHCPKHFHSA-N 1 3 370.585 2.755 20 0 FFADHO c1ccc(N2CCN(CCCN3CC[C@@H](C[NH+]4CCCC4)C3)CC2)cc1 ZINC000286511994 257040654 /nfs/dbraw/zinc/04/06/54/257040654.db2.gz RVLWVOCYJKLLJF-NRFANRHFSA-N 1 3 356.558 2.616 20 0 FFADHO CN(CCCN(C)C(=O)NC1CC[NH+](CC2CC2)CC1)Cc1ccco1 ZINC000286538740 257041976 /nfs/dbraw/zinc/04/19/76/257041976.db2.gz ONYGVQNYRRJZJO-UHFFFAOYSA-N 1 3 362.518 2.617 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288043856 257142214 /nfs/dbraw/zinc/14/22/14/257142214.db2.gz TUQCODCKBVZNCQ-LMWLFIIJSA-N 1 3 356.514 2.698 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288043856 257142215 /nfs/dbraw/zinc/14/22/15/257142215.db2.gz TUQCODCKBVZNCQ-LMWLFIIJSA-N 1 3 356.514 2.698 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000289338255 257275549 /nfs/dbraw/zinc/27/55/49/257275549.db2.gz VWHGRNIFXPLQQR-RTBURBONSA-N 1 3 358.482 2.919 20 0 FFADHO Cc1ncc(CN(C)CCN(C)C2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000289141887 257260302 /nfs/dbraw/zinc/26/03/02/257260302.db2.gz AJGJCQDVSJSNIC-UHFFFAOYSA-N 1 3 355.530 2.639 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[NH2+][C@H]3C(C)C)c(C)c2)CC1 ZINC000289848732 257302689 /nfs/dbraw/zinc/30/26/89/257302689.db2.gz CATQHMLODYKREK-QUCCMNQESA-N 1 3 358.530 2.710 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293557060 257551835 /nfs/dbraw/zinc/55/18/35/257551835.db2.gz XBAZMEIXXBUNQW-WIYYLYMNSA-N 1 3 363.521 2.911 20 0 FFADHO O=C1CC[C@@H](N[C@@H]2CCSc3c(F)cccc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333249407 258258388 /nfs/dbraw/zinc/25/83/88/258258388.db2.gz GLINACHDWSHVJT-NUJGCVRESA-N 1 3 363.502 2.599 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CCN(CC3CCCCC3)CC2)CCCC1 ZINC000065442837 506301217 /nfs/dbraw/zinc/30/12/17/506301217.db2.gz UHNRHCRONZAMLE-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000065441382 506298037 /nfs/dbraw/zinc/29/80/37/506298037.db2.gz MWNGLSQSGZBNDO-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000065441382 506298043 /nfs/dbraw/zinc/29/80/43/506298043.db2.gz MWNGLSQSGZBNDO-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000410309901 512236671 /nfs/dbraw/zinc/23/66/71/512236671.db2.gz DYJNUQQUAQIDLG-SFTDATJTSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000410309901 512236676 /nfs/dbraw/zinc/23/66/76/512236676.db2.gz DYJNUQQUAQIDLG-SFTDATJTSA-N 1 3 370.541 2.620 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000054510337 506569801 /nfs/dbraw/zinc/56/98/01/506569801.db2.gz OAAHWECCIMFANY-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000054510337 506569808 /nfs/dbraw/zinc/56/98/08/506569808.db2.gz OAAHWECCIMFANY-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000054763817 506615174 /nfs/dbraw/zinc/61/51/74/506615174.db2.gz BYFOIJYLOFUTJL-IBGZPJMESA-N 1 3 360.546 2.930 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000054763817 506615182 /nfs/dbraw/zinc/61/51/82/506615182.db2.gz BYFOIJYLOFUTJL-IBGZPJMESA-N 1 3 360.546 2.930 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045191354 506930647 /nfs/dbraw/zinc/93/06/47/506930647.db2.gz XZMCGEIXEWEDAV-GOSISDBHSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000046372898 507126521 /nfs/dbraw/zinc/12/65/21/507126521.db2.gz KCROIPFWFZMXFL-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000046372898 507126525 /nfs/dbraw/zinc/12/65/25/507126525.db2.gz KCROIPFWFZMXFL-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000046381664 507128666 /nfs/dbraw/zinc/12/86/66/507128666.db2.gz DPLVIUBTCRXXQN-IBGZPJMESA-N 1 3 358.530 2.636 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000046381664 507128671 /nfs/dbraw/zinc/12/86/71/507128671.db2.gz DPLVIUBTCRXXQN-IBGZPJMESA-N 1 3 358.530 2.636 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3OC(F)F)CC2)CC1 ZINC000050799755 507713232 /nfs/dbraw/zinc/71/32/32/507713232.db2.gz ADAAMOFVBAGIRZ-UHFFFAOYSA-N 1 3 367.440 2.576 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000052523502 507812103 /nfs/dbraw/zinc/81/21/03/507812103.db2.gz CYRBXQZYYPUWFZ-YLJYHZDGSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000052523502 507812104 /nfs/dbraw/zinc/81/21/04/507812104.db2.gz CYRBXQZYYPUWFZ-YLJYHZDGSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038566 507903742 /nfs/dbraw/zinc/90/37/42/507903742.db2.gz SOFKYJUCMPTTNL-HNNXBMFYSA-N 1 3 351.560 2.988 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000109175560 507944922 /nfs/dbraw/zinc/94/49/22/507944922.db2.gz UPHWTJUNHSGXEE-MOPGFXCFSA-N 1 3 350.551 2.672 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000109175560 507944925 /nfs/dbraw/zinc/94/49/25/507944925.db2.gz UPHWTJUNHSGXEE-MOPGFXCFSA-N 1 3 350.551 2.672 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000079220933 507945481 /nfs/dbraw/zinc/94/54/81/507945481.db2.gz ZJTYSACZIXWSCY-FQEVSTJZSA-N 1 3 360.546 2.579 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000079223040 507945730 /nfs/dbraw/zinc/94/57/30/507945730.db2.gz XWBRDOJWVHAONB-FXAWDEMLSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000079223040 507945732 /nfs/dbraw/zinc/94/57/32/507945732.db2.gz XWBRDOJWVHAONB-FXAWDEMLSA-N 1 3 358.530 2.635 20 0 FFADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000091333132 507980797 /nfs/dbraw/zinc/98/07/97/507980797.db2.gz WREJBQOCBRFSLX-HNNXBMFYSA-N 1 3 361.511 2.637 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000091333132 507980800 /nfs/dbraw/zinc/98/08/00/507980800.db2.gz WREJBQOCBRFSLX-HNNXBMFYSA-N 1 3 361.511 2.637 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)CC1 ZINC000074187052 507995658 /nfs/dbraw/zinc/99/56/58/507995658.db2.gz HUUNKAUUFOCIRZ-UHFFFAOYSA-N 1 3 372.557 2.680 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000079735046 507996803 /nfs/dbraw/zinc/99/68/03/507996803.db2.gz SOBVFUANLGGMTD-LEWJYISDSA-N 1 3 368.525 2.761 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000079852406 508007201 /nfs/dbraw/zinc/00/72/01/508007201.db2.gz FSFWUOMNCLBXPU-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000080051051 508029825 /nfs/dbraw/zinc/02/98/25/508029825.db2.gz HFXFEESBXQYBDA-LJQANCHMSA-N 1 3 372.557 2.944 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000110718566 508043231 /nfs/dbraw/zinc/04/32/31/508043231.db2.gz WPBCJMCRIIBZKD-SJORKVTESA-N 1 3 371.447 2.761 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1)C(C)C ZINC000110866422 508052186 /nfs/dbraw/zinc/05/21/86/508052186.db2.gz WKAIAAYEWYEAKY-UHFFFAOYSA-N 1 3 374.573 2.626 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1)C(C)C ZINC000110866422 508052189 /nfs/dbraw/zinc/05/21/89/508052189.db2.gz WKAIAAYEWYEAKY-UHFFFAOYSA-N 1 3 374.573 2.626 20 0 FFADHO CC[N@H+](CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000074872260 508065526 /nfs/dbraw/zinc/06/55/26/508065526.db2.gz NSJXZWGBUUKOOA-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000074872260 508065529 /nfs/dbraw/zinc/06/55/29/508065529.db2.gz NSJXZWGBUUKOOA-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC1 ZINC000092500211 508075071 /nfs/dbraw/zinc/07/50/71/508075071.db2.gz VRVOKZCKAMYSJU-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111563423 508107921 /nfs/dbraw/zinc/10/79/21/508107921.db2.gz BCEZONARWQAAET-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000096965942 508216393 /nfs/dbraw/zinc/21/63/93/508216393.db2.gz RFFDWGSZWILWDQ-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000096965942 508216396 /nfs/dbraw/zinc/21/63/96/508216396.db2.gz RFFDWGSZWILWDQ-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000112747015 508219776 /nfs/dbraw/zinc/21/97/76/508219776.db2.gz AKLNJZJTYLSJTD-KRWDZBQOSA-N 1 3 364.559 2.697 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000097428504 508224453 /nfs/dbraw/zinc/22/44/53/508224453.db2.gz NWJZASPONLZITO-QRVBRYPASA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101999553 508263993 /nfs/dbraw/zinc/26/39/93/508263993.db2.gz JUVKUPCCXHQDMC-IAGOWNOFSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000084415615 508278835 /nfs/dbraw/zinc/27/88/35/508278835.db2.gz WFMCZVRFIPNEAX-UHFFFAOYSA-N 1 3 366.575 2.942 20 0 FFADHO Cc1cccc(-c2nc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cs2)c1 ZINC000103212313 508302763 /nfs/dbraw/zinc/30/27/63/508302763.db2.gz YSPXDKWQMWSHRY-UHFFFAOYSA-N 1 3 374.554 2.613 20 0 FFADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000085354941 508303341 /nfs/dbraw/zinc/30/33/41/508303341.db2.gz ZZAVHKAYQBTWFK-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000085354941 508303343 /nfs/dbraw/zinc/30/33/43/508303343.db2.gz ZZAVHKAYQBTWFK-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000103450245 508312780 /nfs/dbraw/zinc/31/27/80/508312780.db2.gz UASBHMXDPYJZSA-LJQANCHMSA-N 1 3 361.505 2.838 20 0 FFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000114503828 508323180 /nfs/dbraw/zinc/32/31/80/508323180.db2.gz IGWALAXPXRPUBE-GOEBONIOSA-N 1 3 352.486 2.913 20 0 FFADHO CC(C)[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1CCCCC1 ZINC000104341534 508332636 /nfs/dbraw/zinc/33/26/36/508332636.db2.gz PHMCOYYLLNNMTH-HXUWFJFHSA-N 1 3 361.530 2.754 20 0 FFADHO CC(C)[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1CCCCC1 ZINC000104405686 508333874 /nfs/dbraw/zinc/33/38/74/508333874.db2.gz UFCKTYQVRFXOJS-HXUWFJFHSA-N 1 3 361.530 2.754 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114781322 508346801 /nfs/dbraw/zinc/34/68/01/508346801.db2.gz XZLGBJNWUPRKQL-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)N(C)C1CC1 ZINC000105263109 508367638 /nfs/dbraw/zinc/36/76/38/508367638.db2.gz GTRAHWRPBKDQNJ-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)N(C)C1CC1 ZINC000105263109 508367639 /nfs/dbraw/zinc/36/76/39/508367639.db2.gz GTRAHWRPBKDQNJ-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO CCCc1csc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000122365702 508523817 /nfs/dbraw/zinc/52/38/17/508523817.db2.gz OLXPYOBMPARNAT-UHFFFAOYSA-N 1 3 365.547 2.776 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000116531946 508526299 /nfs/dbraw/zinc/52/62/99/508526299.db2.gz SALKPEIWXAQFEA-ZWKOTPCHSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000116531946 508526302 /nfs/dbraw/zinc/52/63/02/508526302.db2.gz SALKPEIWXAQFEA-ZWKOTPCHSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(OC(F)F)c1 ZINC000128045449 508539663 /nfs/dbraw/zinc/53/96/63/508539663.db2.gz YLJCKWFAWZLNGG-HIFRSBDPSA-N 1 3 355.429 2.526 20 0 FFADHO C[C@@H](Cc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000157740560 508605292 /nfs/dbraw/zinc/60/52/92/508605292.db2.gz FRKOPUBSCLPPFV-INIZCTEOSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@H](Cc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000157740692 508605299 /nfs/dbraw/zinc/60/52/99/508605299.db2.gz FRKOPUBSCLPPFV-MRXNPFEDSA-N 1 3 361.505 2.679 20 0 FFADHO C[NH+]1CCC(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000153656891 508619142 /nfs/dbraw/zinc/61/91/42/508619142.db2.gz ZWETYHVSKZMVRV-IBGZPJMESA-N 1 3 367.497 2.610 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)CC[C@@H]21 ZINC000136832443 508720039 /nfs/dbraw/zinc/72/00/39/508720039.db2.gz DCHFVUDVHCLYIE-SFTDATJTSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)CC[C@@H]21 ZINC000136832443 508720042 /nfs/dbraw/zinc/72/00/42/508720042.db2.gz DCHFVUDVHCLYIE-SFTDATJTSA-N 1 3 370.541 2.561 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000154275846 508750395 /nfs/dbraw/zinc/75/03/95/508750395.db2.gz LDEIODRLHYAQTF-SFHVURJKSA-N 1 3 355.530 2.859 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158879715 508763639 /nfs/dbraw/zinc/76/36/39/508763639.db2.gz OEPRZJKAZKPBPW-OXJNMPFZSA-N 1 3 374.529 2.714 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCOc2ccccc2)CC1 ZINC000159338108 508827212 /nfs/dbraw/zinc/82/72/12/508827212.db2.gz VPWVITIIWXGMLI-UHFFFAOYSA-N 1 3 373.541 2.770 20 0 FFADHO C[N@H+](CCNC(=O)C1CCN(Cc2ccco2)CC1)Cc1ccccc1 ZINC000130900926 508862551 /nfs/dbraw/zinc/86/25/51/508862551.db2.gz KUBLHLHYTFDTPR-UHFFFAOYSA-N 1 3 355.482 2.740 20 0 FFADHO C[N@@H+](CCNC(=O)C1CCN(Cc2ccco2)CC1)Cc1ccccc1 ZINC000130900926 508862554 /nfs/dbraw/zinc/86/25/54/508862554.db2.gz KUBLHLHYTFDTPR-UHFFFAOYSA-N 1 3 355.482 2.740 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000131099554 508886688 /nfs/dbraw/zinc/88/66/88/508886688.db2.gz GXGUNZPRKJBFOH-RXVVDRJESA-N 1 3 370.541 2.915 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000131099554 508886692 /nfs/dbraw/zinc/88/66/92/508886692.db2.gz GXGUNZPRKJBFOH-RXVVDRJESA-N 1 3 370.541 2.915 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000120115324 508931938 /nfs/dbraw/zinc/93/19/38/508931938.db2.gz HGODEYGUXNSABQ-VDGAXYAQSA-N 1 3 360.546 2.833 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000120115324 508931941 /nfs/dbraw/zinc/93/19/41/508931941.db2.gz HGODEYGUXNSABQ-VDGAXYAQSA-N 1 3 360.546 2.833 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)[NH+]1CCCC1 ZINC000120198583 508948595 /nfs/dbraw/zinc/94/85/95/508948595.db2.gz BUKGUWCRZDJXNH-WDSOQIARSA-N 1 3 352.567 2.869 20 0 FFADHO Cc1ccc(C(F)(F)F)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120230223 508954187 /nfs/dbraw/zinc/95/41/87/508954187.db2.gz ZGGHWLJHUWFZPQ-UHFFFAOYSA-N 1 3 360.424 2.971 20 0 FFADHO CC[C@@H](OC1CCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151481572 509026345 /nfs/dbraw/zinc/02/63/45/509026345.db2.gz PEDYRUVDSDODTH-HXUWFJFHSA-N 1 3 365.562 2.789 20 0 FFADHO FC(F)(F)CN1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000151507331 509032242 /nfs/dbraw/zinc/03/22/42/509032242.db2.gz GNKHTDLLAQKUQA-GOSISDBHSA-N 1 3 355.448 2.920 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000125914537 509044125 /nfs/dbraw/zinc/04/41/25/509044125.db2.gz GHABWUWPWWLPOB-PXNSSMCTSA-N 1 3 358.530 2.538 20 0 FFADHO CC[C@H](C)[C@H](N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000155769921 509068409 /nfs/dbraw/zinc/06/84/09/509068409.db2.gz DBZCRWCXOJSOHH-PXNSSMCTSA-N 1 3 361.530 2.547 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000162127695 509173315 /nfs/dbraw/zinc/17/33/15/509173315.db2.gz VTNBFRUODIXYGO-DFQSSKMNSA-N 1 3 358.530 2.538 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000162127695 509173316 /nfs/dbraw/zinc/17/33/16/509173316.db2.gz VTNBFRUODIXYGO-DFQSSKMNSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000247977962 509209055 /nfs/dbraw/zinc/20/90/55/509209055.db2.gz LTHOWWSGLBRYRS-CEXWTWQISA-N 1 3 363.546 2.777 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000182388746 509210646 /nfs/dbraw/zinc/21/06/46/509210646.db2.gz DVRCRMCPBNLZIP-NRFANRHFSA-N 1 3 373.541 2.694 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248032330 509220550 /nfs/dbraw/zinc/22/05/50/509220550.db2.gz QSKBNSFBBHXLHY-NPDDRXJXSA-N 1 3 358.526 2.858 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248032330 509220555 /nfs/dbraw/zinc/22/05/55/509220555.db2.gz QSKBNSFBBHXLHY-NPDDRXJXSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248032330 509220564 /nfs/dbraw/zinc/22/05/64/509220564.db2.gz QSKBNSFBBHXLHY-NPDDRXJXSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248032330 509220572 /nfs/dbraw/zinc/22/05/72/509220572.db2.gz QSKBNSFBBHXLHY-NPDDRXJXSA-N 1 3 358.526 2.858 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248146593 509248411 /nfs/dbraw/zinc/24/84/11/509248411.db2.gz ZTHOHIOIYDQPAB-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248146593 509248418 /nfs/dbraw/zinc/24/84/18/509248418.db2.gz ZTHOHIOIYDQPAB-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000248387541 509284097 /nfs/dbraw/zinc/28/40/97/509284097.db2.gz PJOGMNJFPUJNOS-JCGIZDLHSA-N 1 3 361.486 2.653 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000248387541 509284100 /nfs/dbraw/zinc/28/41/00/509284100.db2.gz PJOGMNJFPUJNOS-JCGIZDLHSA-N 1 3 361.486 2.653 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000248387540 509284805 /nfs/dbraw/zinc/28/48/05/509284805.db2.gz PJOGMNJFPUJNOS-BMGDILEWSA-N 1 3 361.486 2.653 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000248387540 509284809 /nfs/dbraw/zinc/28/48/09/509284809.db2.gz PJOGMNJFPUJNOS-BMGDILEWSA-N 1 3 361.486 2.653 20 0 FFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(I)cc1 ZINC000219324113 509286893 /nfs/dbraw/zinc/28/68/93/509286893.db2.gz PTKZFAITBZTYHT-GFCCVEGCSA-N 1 3 362.255 2.520 20 0 FFADHO CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267351722 509460625 /nfs/dbraw/zinc/46/06/25/509460625.db2.gz PMMHXRSCDMHFNF-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267351722 509460629 /nfs/dbraw/zinc/46/06/29/509460629.db2.gz PMMHXRSCDMHFNF-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)N1CCc2ccccc2C1 ZINC000236662532 509475068 /nfs/dbraw/zinc/47/50/68/509475068.db2.gz VVGHVMXUVPAFTI-PMACEKPBSA-N 1 3 355.526 2.575 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236683043 509479631 /nfs/dbraw/zinc/47/96/31/509479631.db2.gz VQFYIUIYNAKSLB-FCHUYYIVSA-N 1 3 365.521 2.928 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000173255416 509482041 /nfs/dbraw/zinc/48/20/41/509482041.db2.gz IXRGLKUZMUHXMT-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000173255416 509482051 /nfs/dbraw/zinc/48/20/51/509482051.db2.gz IXRGLKUZMUHXMT-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(N)Cc2ccccc2C1 ZINC000164605845 509518953 /nfs/dbraw/zinc/51/89/53/509518953.db2.gz FPGYYKGNMIGQEJ-UHFFFAOYSA-N 1 3 351.494 2.639 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(N)Cc2ccccc2C1 ZINC000164605845 509518956 /nfs/dbraw/zinc/51/89/56/509518956.db2.gz FPGYYKGNMIGQEJ-UHFFFAOYSA-N 1 3 351.494 2.639 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000236883345 509525094 /nfs/dbraw/zinc/52/50/94/509525094.db2.gz HOFSAVWCTYSQOV-NHCUHLMSSA-N 1 3 369.509 2.937 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000248892356 509532730 /nfs/dbraw/zinc/53/27/30/509532730.db2.gz SUDKAGFTDNIQDM-WYNBGMTASA-N 1 3 372.557 2.927 20 0 FFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](CN)c3ccccc3)cc21 ZINC000237000228 509549443 /nfs/dbraw/zinc/54/94/43/509549443.db2.gz TZNIDADKZFHGMA-IBGZPJMESA-N 1 3 350.466 2.884 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000165360941 509569008 /nfs/dbraw/zinc/56/90/08/509569008.db2.gz RDGJBLAQKLUDPZ-DLBZAZTESA-N 1 3 353.576 2.762 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000249057585 509587157 /nfs/dbraw/zinc/58/71/57/509587157.db2.gz XWZMZCXAJYVXBR-WOJBJXKFSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000249057585 509587161 /nfs/dbraw/zinc/58/71/61/509587161.db2.gz XWZMZCXAJYVXBR-WOJBJXKFSA-N 1 3 360.546 2.784 20 0 FFADHO CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000192670110 509590299 /nfs/dbraw/zinc/59/02/99/509590299.db2.gz KQZFAYBLJZBODO-OAQYLSRUSA-N 1 3 355.526 2.984 20 0 FFADHO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000173475152 509623803 /nfs/dbraw/zinc/62/38/03/509623803.db2.gz MWFHJQZDYWMZTN-SJORKVTESA-N 1 3 362.518 2.882 20 0 FFADHO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000173475152 509623809 /nfs/dbraw/zinc/62/38/09/509623809.db2.gz MWFHJQZDYWMZTN-SJORKVTESA-N 1 3 362.518 2.882 20 0 FFADHO C[C@@]1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCCC[NH2+]1 ZINC000237386193 509637296 /nfs/dbraw/zinc/63/72/96/509637296.db2.gz BRDPUMOPWDGLJV-NRFANRHFSA-N 1 3 356.514 2.689 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000189583468 509648991 /nfs/dbraw/zinc/64/89/91/509648991.db2.gz RXUBYJQOOUGOKV-UHFFFAOYSA-N 1 3 370.607 2.721 20 0 FFADHO CCCO[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000249296666 509651413 /nfs/dbraw/zinc/65/14/13/509651413.db2.gz MODFQBHGIOYCGL-VQTJNVASSA-N 1 3 361.530 2.687 20 0 FFADHO C[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000237489476 509660279 /nfs/dbraw/zinc/66/02/79/509660279.db2.gz YQVTZOUSEQSLLN-WAOWUJCRSA-N 1 3 357.542 2.915 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CC1 ZINC000183229969 509667878 /nfs/dbraw/zinc/66/78/78/509667878.db2.gz ABQAEHHBLRGFOR-UXHICEINSA-N 1 3 364.578 2.870 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000249395243 509670385 /nfs/dbraw/zinc/67/03/85/509670385.db2.gz ATCNSFDGCMZCGU-IVDHNXQLSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000249675469 509732853 /nfs/dbraw/zinc/73/28/53/509732853.db2.gz WSWOUELFCDUBNO-NRFANRHFSA-N 1 3 368.525 2.784 20 0 FFADHO CCN(C)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000249675469 509732860 /nfs/dbraw/zinc/73/28/60/509732860.db2.gz WSWOUELFCDUBNO-NRFANRHFSA-N 1 3 368.525 2.784 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000193029742 509742957 /nfs/dbraw/zinc/74/29/57/509742957.db2.gz QAXZDXGSTRWQLE-UHFFFAOYSA-N 1 3 372.557 2.866 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173752066 509754164 /nfs/dbraw/zinc/75/41/64/509754164.db2.gz DOONBCMQURIXLW-HXUWFJFHSA-N 1 3 356.514 2.683 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173752066 509754171 /nfs/dbraw/zinc/75/41/71/509754171.db2.gz DOONBCMQURIXLW-HXUWFJFHSA-N 1 3 356.514 2.683 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1(N2CCSCC2)CCCCC1 ZINC000237882409 509760716 /nfs/dbraw/zinc/76/07/16/509760716.db2.gz SGPBXYUPJHCRBE-AYHJJNSGSA-N 1 3 365.587 2.775 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237951864 509783807 /nfs/dbraw/zinc/78/38/07/509783807.db2.gz CTKORONWQRDGQR-CAMMJAKZSA-N 1 3 361.555 2.997 20 0 FFADHO CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814261 509789859 /nfs/dbraw/zinc/78/98/59/509789859.db2.gz MHCVIBBWDOQLRG-LJQANCHMSA-N 1 3 372.557 2.866 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000173827636 509801947 /nfs/dbraw/zinc/80/19/47/509801947.db2.gz JIZSTQASXWPGQX-LEWJYISDSA-N 1 3 370.541 2.595 20 0 FFADHO O=C(NCCC[NH2+]Cc1cccnc1)c1cccc(CN2CCCC2)c1 ZINC000238053429 509811310 /nfs/dbraw/zinc/81/13/10/509811310.db2.gz MWEDCDMLKPYSHB-UHFFFAOYSA-N 1 3 352.482 2.587 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000189996557 509874477 /nfs/dbraw/zinc/87/44/77/509874477.db2.gz WXNPFRSPJMDPJC-APWZRJJASA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000189996557 509874483 /nfs/dbraw/zinc/87/44/83/509874483.db2.gz WXNPFRSPJMDPJC-APWZRJJASA-N 1 3 365.493 2.881 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)CC[C@@H]3CCCCN3C)c2cc1C ZINC000173958021 509874976 /nfs/dbraw/zinc/87/49/76/509874976.db2.gz CNUBVYOBWWWDGG-OALUTQOASA-N 1 3 358.530 2.820 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)CC[C@@H]3CCCCN3C)c2cc1C ZINC000173958021 509874979 /nfs/dbraw/zinc/87/49/79/509874979.db2.gz CNUBVYOBWWWDGG-OALUTQOASA-N 1 3 358.530 2.820 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000190015670 509886514 /nfs/dbraw/zinc/88/65/14/509886514.db2.gz UKCLPIKZUOAOPJ-QGZVFWFLSA-N 1 3 373.545 2.733 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000174010979 509903472 /nfs/dbraw/zinc/90/34/72/509903472.db2.gz OSOQMBIDXYABIV-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000174010979 509903480 /nfs/dbraw/zinc/90/34/80/509903480.db2.gz OSOQMBIDXYABIV-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000255061268 509916034 /nfs/dbraw/zinc/91/60/34/509916034.db2.gz OOTLCYUDKBVMQT-HYXAFXHYSA-N 1 3 359.489 2.904 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000255615991 509931909 /nfs/dbraw/zinc/93/19/09/509931909.db2.gz RFFDWGSZWILWDQ-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000255615991 509931914 /nfs/dbraw/zinc/93/19/14/509931914.db2.gz RFFDWGSZWILWDQ-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000183710352 509939600 /nfs/dbraw/zinc/93/96/00/509939600.db2.gz RZIHQOXCUCNFOI-QGZVFWFLSA-N 1 3 361.530 2.644 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 ZINC000171153785 509973073 /nfs/dbraw/zinc/97/30/73/509973073.db2.gz LQNMNCWRUSQROP-FQEVSTJZSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 ZINC000171153785 509973076 /nfs/dbraw/zinc/97/30/76/509973076.db2.gz LQNMNCWRUSQROP-FQEVSTJZSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261595107 509994237 /nfs/dbraw/zinc/99/42/37/509994237.db2.gz NWTZLDWSSBUIRC-IOMROCGXSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261595107 509994241 /nfs/dbraw/zinc/99/42/41/509994241.db2.gz NWTZLDWSSBUIRC-IOMROCGXSA-N 1 3 351.494 2.583 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000174210014 510003599 /nfs/dbraw/zinc/00/35/99/510003599.db2.gz KUAXXTSXWSBNTP-AZUAARDMSA-N 1 3 358.530 2.725 20 0 FFADHO COCC1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC[NH2+]CC1 ZINC000261632523 510008345 /nfs/dbraw/zinc/00/83/45/510008345.db2.gz CPOFDIPQVLPDMW-UHFFFAOYSA-N 1 3 370.497 2.990 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)C2CCOCC2)CCCC1)c1ccccc1 ZINC000261770088 510057689 /nfs/dbraw/zinc/05/76/89/510057689.db2.gz MFVFZUXDKXGDRV-LPHOPBHVSA-N 1 3 359.514 2.520 20 0 FFADHO CC(C)Oc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261794560 510066028 /nfs/dbraw/zinc/06/60/28/510066028.db2.gz IJKQEACOBZYDBA-ICSRJNTNSA-N 1 3 359.514 2.554 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000245682988 510082617 /nfs/dbraw/zinc/08/26/17/510082617.db2.gz GRKMCVXOAQVCIV-KSZLIROESA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000245682988 510082622 /nfs/dbraw/zinc/08/26/22/510082622.db2.gz GRKMCVXOAQVCIV-KSZLIROESA-N 1 3 350.551 2.765 20 0 FFADHO Cc1cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c2ccccc2n1 ZINC000261835614 510083676 /nfs/dbraw/zinc/08/36/76/510083676.db2.gz LDVOBRWQYHNQIU-LAUBAEHRSA-N 1 3 366.509 2.623 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)[C@H]1c1ccccc1 ZINC000245688505 510086450 /nfs/dbraw/zinc/08/64/50/510086450.db2.gz WRMNNDVTBFFOPZ-LEWJYISDSA-N 1 3 366.509 2.993 20 0 FFADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000268853659 510101136 /nfs/dbraw/zinc/10/11/36/510101136.db2.gz QKLQQCITPZSLTA-MRXNPFEDSA-N 1 3 362.518 2.714 20 0 FFADHO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000245770611 510139352 /nfs/dbraw/zinc/13/93/52/510139352.db2.gz RSEZHWWNUCLRDN-IBGZPJMESA-N 1 3 359.514 2.745 20 0 FFADHO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000245770611 510139355 /nfs/dbraw/zinc/13/93/55/510139355.db2.gz RSEZHWWNUCLRDN-IBGZPJMESA-N 1 3 359.514 2.745 20 0 FFADHO COC(=O)C[C@@H]1CCCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000245770611 510139360 /nfs/dbraw/zinc/13/93/60/510139360.db2.gz RSEZHWWNUCLRDN-IBGZPJMESA-N 1 3 359.514 2.745 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2ccccn2)c1 ZINC000262007753 510147789 /nfs/dbraw/zinc/14/77/89/510147789.db2.gz LZAFYRADWSRYEI-IBGZPJMESA-N 1 3 352.482 2.568 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262236029 510216483 /nfs/dbraw/zinc/21/64/83/510216483.db2.gz HJHFQYSAIFBUMU-XHNZRGJOSA-N 1 3 370.541 2.877 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000171571394 510231163 /nfs/dbraw/zinc/23/11/63/510231163.db2.gz WOPDNSBJEKDRNR-OXQOHEQNSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000171571394 510231170 /nfs/dbraw/zinc/23/11/70/510231170.db2.gz WOPDNSBJEKDRNR-OXQOHEQNSA-N 1 3 374.529 2.614 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2csc3ccccc23)C1)[C@@H]1CCC[NH2+]1 ZINC000262291169 510234783 /nfs/dbraw/zinc/23/47/83/510234783.db2.gz WCLRZGSMURXBNZ-QAPCUYQASA-N 1 3 357.523 2.982 20 0 FFADHO C[C@H](C[NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262349112 510251528 /nfs/dbraw/zinc/25/15/28/510251528.db2.gz ITYYPECQGFKKPN-XNRPHZJLSA-N 1 3 357.420 2.799 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000181141905 510285163 /nfs/dbraw/zinc/28/51/63/510285163.db2.gz DKVNNNZCBNCWED-GOSISDBHSA-N 1 3 359.514 2.519 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000187482522 510292821 /nfs/dbraw/zinc/29/28/21/510292821.db2.gz GUXYXHIJJVPSNW-SFTDATJTSA-N 1 3 370.541 2.799 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000187482522 510292828 /nfs/dbraw/zinc/29/28/28/510292828.db2.gz GUXYXHIJJVPSNW-SFTDATJTSA-N 1 3 370.541 2.799 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000246162952 510330189 /nfs/dbraw/zinc/33/01/89/510330189.db2.gz KVERNPWQHYYYAC-TVFCKZIOSA-N 1 3 350.551 2.621 20 0 FFADHO [NH3+]CC1(CC(=O)NCc2ccccc2CN2CCC(O)CC2)CCCCC1 ZINC000262623201 510340862 /nfs/dbraw/zinc/34/08/62/510340862.db2.gz CZIQXDLOAXIBLX-UHFFFAOYSA-N 1 3 373.541 2.559 20 0 FFADHO CCN(C)c1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000190802724 510351795 /nfs/dbraw/zinc/35/17/95/510351795.db2.gz SKWROHRGPKTMBP-UHFFFAOYSA-N 1 3 367.541 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000262655806 510354348 /nfs/dbraw/zinc/35/43/48/510354348.db2.gz UKVPUQAWVJNIBT-DUXKGJEZSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000262655806 510354357 /nfs/dbraw/zinc/35/43/57/510354357.db2.gz UKVPUQAWVJNIBT-DUXKGJEZSA-N 1 3 351.494 2.726 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC/C=C/c3ccccc3)CC2)CC1 ZINC000171853431 510412197 /nfs/dbraw/zinc/41/21/97/510412197.db2.gz SDZPVQXCGUPZRT-VMPITWQZSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C1CC1 ZINC000246346437 510437420 /nfs/dbraw/zinc/43/74/20/510437420.db2.gz JKEWRDNLQXHXJZ-FGTMMUONSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C1CC1 ZINC000246346437 510437427 /nfs/dbraw/zinc/43/74/27/510437427.db2.gz JKEWRDNLQXHXJZ-FGTMMUONSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)COc1ccccc1Br ZINC000246372025 510452339 /nfs/dbraw/zinc/45/23/39/510452339.db2.gz JKGHDBDAONGWIW-KQTLUZQSSA-N 1 3 371.319 2.507 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)COc1ccccc1Br ZINC000246372025 510452343 /nfs/dbraw/zinc/45/23/43/510452343.db2.gz JKGHDBDAONGWIW-KQTLUZQSSA-N 1 3 371.319 2.507 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000262881779 510455695 /nfs/dbraw/zinc/45/56/95/510455695.db2.gz NMLHKROMVWGBEI-HFTRVMKXSA-N 1 3 369.431 2.698 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000269599056 510478260 /nfs/dbraw/zinc/47/82/60/510478260.db2.gz HJCYQGOGNKPHSY-QGZVFWFLSA-N 1 3 373.545 2.781 20 0 FFADHO CC1CCN(C(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000184742926 510495551 /nfs/dbraw/zinc/49/55/51/510495551.db2.gz URMJWIONTOPYDF-OALUTQOASA-N 1 3 357.542 2.991 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000246475220 510509286 /nfs/dbraw/zinc/50/92/86/510509286.db2.gz VOWHYIWQDLHGMM-UXHICEINSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000246475220 510509291 /nfs/dbraw/zinc/50/92/91/510509291.db2.gz VOWHYIWQDLHGMM-UXHICEINSA-N 1 3 360.546 2.675 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000269718527 510524598 /nfs/dbraw/zinc/52/45/98/510524598.db2.gz SVXNBAMUFHPVKM-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000269718527 510524599 /nfs/dbraw/zinc/52/45/99/510524599.db2.gz SVXNBAMUFHPVKM-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000181670409 510530814 /nfs/dbraw/zinc/53/08/14/510530814.db2.gz TXKURIXAKAYLDX-RBUKOAKNSA-N 1 3 361.530 2.661 20 0 FFADHO C[C@@H](CCSc1ccccc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000178300517 510534381 /nfs/dbraw/zinc/53/43/81/510534381.db2.gz JONXPPMKLNADKE-KRWDZBQOSA-N 1 3 363.571 2.947 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000246528579 510536981 /nfs/dbraw/zinc/53/69/81/510536981.db2.gz XSFWQWVGKZYVSS-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000246528579 510536990 /nfs/dbraw/zinc/53/69/90/510536990.db2.gz XSFWQWVGKZYVSS-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn3cc(Cl)ccc3n2)C[C@@H](C)O1 ZINC000172116513 510552209 /nfs/dbraw/zinc/55/22/09/510552209.db2.gz VCBMCAUUBLYKCS-HUUCEWRRSA-N 1 3 350.894 2.967 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000246560161 510556395 /nfs/dbraw/zinc/55/63/95/510556395.db2.gz XUWLEGNDCKJLMY-IHPCNDPISA-N 1 3 360.546 2.969 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000246560161 510556401 /nfs/dbraw/zinc/55/64/01/510556401.db2.gz XUWLEGNDCKJLMY-IHPCNDPISA-N 1 3 360.546 2.969 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000184893098 510568133 /nfs/dbraw/zinc/56/81/33/510568133.db2.gz NAGXVMOMLZOCHE-MJGOQNOKSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000184893098 510568136 /nfs/dbraw/zinc/56/81/36/510568136.db2.gz NAGXVMOMLZOCHE-MJGOQNOKSA-N 1 3 373.545 2.775 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246758975 510658585 /nfs/dbraw/zinc/65/85/85/510658585.db2.gz ZZJMFRUOSGNIQP-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246758975 510658592 /nfs/dbraw/zinc/65/85/92/510658592.db2.gz ZZJMFRUOSGNIQP-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000175479281 510659238 /nfs/dbraw/zinc/65/92/38/510659238.db2.gz FZYANCXEPJLWON-ZCNNSNEGSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000191457402 510669085 /nfs/dbraw/zinc/66/90/85/510669085.db2.gz NIHCTXGLBNXUMQ-UHFFFAOYSA-N 1 3 364.622 2.991 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000191457402 510669094 /nfs/dbraw/zinc/66/90/94/510669094.db2.gz NIHCTXGLBNXUMQ-UHFFFAOYSA-N 1 3 364.622 2.991 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000246850466 510708475 /nfs/dbraw/zinc/70/84/75/510708475.db2.gz BQQNSJRRAOGNRS-IAGOWNOFSA-N 1 3 364.559 2.601 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000246850466 510708482 /nfs/dbraw/zinc/70/84/82/510708482.db2.gz BQQNSJRRAOGNRS-IAGOWNOFSA-N 1 3 364.559 2.601 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175645513 510710094 /nfs/dbraw/zinc/71/00/94/510710094.db2.gz HGFVJWMBHOHHAF-UYAOXDASSA-N 1 3 356.514 2.553 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175645513 510710101 /nfs/dbraw/zinc/71/01/01/510710101.db2.gz HGFVJWMBHOHHAF-UYAOXDASSA-N 1 3 356.514 2.553 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000266720349 510749439 /nfs/dbraw/zinc/74/94/39/510749439.db2.gz SUQGIOJPCKWVQF-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000266720349 510749445 /nfs/dbraw/zinc/74/94/45/510749445.db2.gz SUQGIOJPCKWVQF-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccccc1 ZINC000270341784 510769273 /nfs/dbraw/zinc/76/92/73/510769273.db2.gz LEKBHCOTKHFOPJ-NOSIKRSBSA-N 1 3 356.514 2.746 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccccc1 ZINC000270341784 510769283 /nfs/dbraw/zinc/76/92/83/510769283.db2.gz LEKBHCOTKHFOPJ-NOSIKRSBSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182242584 510831780 /nfs/dbraw/zinc/83/17/80/510831780.db2.gz JLRFWAGWNADUSS-VQIMIIECSA-N 1 3 362.514 2.853 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182242584 510831785 /nfs/dbraw/zinc/83/17/85/510831785.db2.gz JLRFWAGWNADUSS-VQIMIIECSA-N 1 3 362.514 2.853 20 0 FFADHO COCCC[NH+]1CCC(NC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000263794603 510842930 /nfs/dbraw/zinc/84/29/30/510842930.db2.gz RJXZPCUGPFHIIM-UHFFFAOYSA-N 1 3 373.541 2.903 20 0 FFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247142546 510843813 /nfs/dbraw/zinc/84/38/13/510843813.db2.gz WIIICZHVHDCBIZ-GUDVDZBRSA-N 1 3 353.551 2.647 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000247466942 510861658 /nfs/dbraw/zinc/86/16/58/510861658.db2.gz ROWASTWVSMHNQN-TZIWHRDSSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000247466942 510861659 /nfs/dbraw/zinc/86/16/59/510861659.db2.gz ROWASTWVSMHNQN-TZIWHRDSSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H](CC[NH+]1CCN(C)CC1)N[C@@H](C)c1ncc(Br)cc1F ZINC000275383629 510893753 /nfs/dbraw/zinc/89/37/53/510893753.db2.gz XVSGIRMQDWCVGA-OLZOCXBDSA-N 1 3 373.314 2.660 20 0 FFADHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293923701 510899880 /nfs/dbraw/zinc/89/98/80/510899880.db2.gz XNQNMYFLCOEVEY-HXUWFJFHSA-N 1 3 361.530 2.932 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000294098935 510955873 /nfs/dbraw/zinc/95/58/73/510955873.db2.gz KPROHNAPZYWUGE-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000294098935 510955877 /nfs/dbraw/zinc/95/58/77/510955877.db2.gz KPROHNAPZYWUGE-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3ccc(OC)cc3C2)[C@@H](C)C1 ZINC000297507214 510971271 /nfs/dbraw/zinc/97/12/71/510971271.db2.gz CJDMPCVFILSTNF-QRFRQXIXSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3ccc(OC)cc3C2)[C@@H](C)C1 ZINC000297507214 510971278 /nfs/dbraw/zinc/97/12/78/510971278.db2.gz CJDMPCVFILSTNF-QRFRQXIXSA-N 1 3 362.514 2.725 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000297556852 510990609 /nfs/dbraw/zinc/99/06/09/510990609.db2.gz PRRWAMYIBUZDBU-VCSGRIEYSA-N 1 3 370.541 2.918 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000297556852 510990610 /nfs/dbraw/zinc/99/06/10/510990610.db2.gz PRRWAMYIBUZDBU-VCSGRIEYSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C1=CCN(C)CC1 ZINC000364687275 511019687 /nfs/dbraw/zinc/01/96/87/511019687.db2.gz OTZNCLYTECPVCF-QHGAOEGBSA-N 1 3 362.562 2.979 20 0 FFADHO Cc1cnn(CCCCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000364946421 511169687 /nfs/dbraw/zinc/16/96/87/511169687.db2.gz SSYYLXXWCWDMAX-UHFFFAOYSA-N 1 3 361.578 2.711 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC([NH3+])CC2)CC1 ZINC000333309783 511198938 /nfs/dbraw/zinc/19/89/38/511198938.db2.gz LKRGYNHASBRXBC-UHFFFAOYSA-N 1 3 366.893 2.768 20 0 FFADHO CN1CCN(CCC[NH2+]C2CCN(C3CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000298412242 511275586 /nfs/dbraw/zinc/27/55/86/511275586.db2.gz MGSLXCFFDFFFJH-JOCHJYFZSA-N 1 3 356.558 2.582 20 0 FFADHO CCc1cc(N2CCC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)ncn1 ZINC000298542280 511321701 /nfs/dbraw/zinc/32/17/01/511321701.db2.gz TWDWDHSTKPGUQE-LJQANCHMSA-N 1 3 366.513 2.661 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298910320 511450650 /nfs/dbraw/zinc/45/06/50/511450650.db2.gz CKXXQGXMDSZFDM-HXUWFJFHSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000272166323 511452660 /nfs/dbraw/zinc/45/26/60/511452660.db2.gz BGVSXTBGNAXYPL-LESCRADOSA-N 1 3 369.431 2.637 20 0 FFADHO Cc1n[nH]c(C)c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000299079641 511507319 /nfs/dbraw/zinc/50/73/19/511507319.db2.gz VWDVFGOMMSEZSO-UHFFFAOYSA-N 1 3 355.530 2.714 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000299274409 511574929 /nfs/dbraw/zinc/57/49/29/511574929.db2.gz LDPBGFAETQOXIS-OEWRPIJISA-N 1 3 369.509 2.984 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000284213555 511643606 /nfs/dbraw/zinc/64/36/06/511643606.db2.gz GYHLDRXJKKYWQW-ALGQRKQJSA-N 1 3 360.542 2.930 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000284213555 511643609 /nfs/dbraw/zinc/64/36/09/511643609.db2.gz GYHLDRXJKKYWQW-ALGQRKQJSA-N 1 3 360.542 2.930 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]1C ZINC000280916681 511651697 /nfs/dbraw/zinc/65/16/97/511651697.db2.gz PLHAYXZOALVXBH-WWMYMODYSA-N 1 3 374.525 2.711 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000292778831 511716266 /nfs/dbraw/zinc/71/62/66/511716266.db2.gz YXGSOOYDBCKVEP-KBAYOESNSA-N 1 3 374.447 2.911 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000292778831 511716272 /nfs/dbraw/zinc/71/62/72/511716272.db2.gz YXGSOOYDBCKVEP-KBAYOESNSA-N 1 3 374.447 2.911 20 0 FFADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)OCCO2 ZINC000363786289 511767032 /nfs/dbraw/zinc/76/70/32/511767032.db2.gz RAUAYCYJTCSZBB-MJGOQNOKSA-N 1 3 359.514 2.667 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1F ZINC000311400095 511776388 /nfs/dbraw/zinc/77/63/88/511776388.db2.gz RHJZEMXWHRGREL-OALUTQOASA-N 1 3 358.457 2.677 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1F ZINC000311400095 511776394 /nfs/dbraw/zinc/77/63/94/511776394.db2.gz RHJZEMXWHRGREL-OALUTQOASA-N 1 3 358.457 2.677 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000311823869 511780897 /nfs/dbraw/zinc/78/08/97/511780897.db2.gz QVCZEYHXEMZLNJ-DSKINZAPSA-N 1 3 351.494 2.961 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000311823869 511780902 /nfs/dbraw/zinc/78/09/02/511780902.db2.gz QVCZEYHXEMZLNJ-DSKINZAPSA-N 1 3 351.494 2.961 20 0 FFADHO [NH3+]CCCOC1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000325194742 511845542 /nfs/dbraw/zinc/84/55/42/511845542.db2.gz DOERYZWQYKVLTK-UHFFFAOYSA-N 1 3 350.488 2.561 20 0 FFADHO COC[C@@]1(C)CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296728580 511872415 /nfs/dbraw/zinc/87/24/15/511872415.db2.gz NXPHQVUVUQHXCA-GCJKJVERSA-N 1 3 373.541 2.514 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4cnccc4c3)CC2)CC1 ZINC000297046307 512000021 /nfs/dbraw/zinc/00/00/21/512000021.db2.gz WCQUWYQXSRSOJT-UHFFFAOYSA-N 1 3 367.497 2.915 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000293842609 512096204 /nfs/dbraw/zinc/09/62/04/512096204.db2.gz COJOHTGCIBJWBS-JOCHJYFZSA-N 1 3 373.541 2.965 20 0 FFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000411312111 512575900 /nfs/dbraw/zinc/57/59/00/512575900.db2.gz YSHQZLBYTZOXLS-QGZVFWFLSA-N 1 3 352.544 2.954 20 0 FFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC000411312111 512575903 /nfs/dbraw/zinc/57/59/03/512575903.db2.gz YSHQZLBYTZOXLS-QGZVFWFLSA-N 1 3 352.544 2.954 20 0 FFADHO COCCC[NH+]1CCC(N[C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000378493747 512788900 /nfs/dbraw/zinc/78/89/00/512788900.db2.gz KCZWZDOCCHFKFQ-NRFANRHFSA-N 1 3 359.514 2.570 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000411791756 512813950 /nfs/dbraw/zinc/81/39/50/512813950.db2.gz HQMIHEIXMXZMIF-VQTJNVASSA-N 1 3 373.541 2.560 20 0 FFADHO CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388858236 512898117 /nfs/dbraw/zinc/89/81/17/512898117.db2.gz OXGAPZGZNOIQHE-RTWAWAEBSA-N 1 3 351.494 2.852 20 0 FFADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397488903 512946494 /nfs/dbraw/zinc/94/64/94/512946494.db2.gz GGZVAFJKPZUXQL-GOSISDBHSA-N 1 3 354.494 2.940 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@@H]2CCC[C@@H]21 ZINC000368616179 513027709 /nfs/dbraw/zinc/02/77/09/513027709.db2.gz SAKWBKLIRREKPT-MUGJNUQGSA-N 1 3 357.498 2.767 20 0 FFADHO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705537 513061710 /nfs/dbraw/zinc/06/17/10/513061710.db2.gz HIOMMWGDTBJVHR-PXNSSMCTSA-N 1 3 353.514 2.535 20 0 FFADHO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705537 513061713 /nfs/dbraw/zinc/06/17/13/513061713.db2.gz HIOMMWGDTBJVHR-PXNSSMCTSA-N 1 3 353.514 2.535 20 0 FFADHO COc1ccc2oc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000370703842 513062074 /nfs/dbraw/zinc/06/20/74/513062074.db2.gz VAHVNIFEFCZXCA-JXFKEZNVSA-N 1 3 357.498 2.899 20 0 FFADHO COc1ccc2oc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000370703842 513062077 /nfs/dbraw/zinc/06/20/77/513062077.db2.gz VAHVNIFEFCZXCA-JXFKEZNVSA-N 1 3 357.498 2.899 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370708149 513064552 /nfs/dbraw/zinc/06/45/52/513064552.db2.gz PDIYJFOMCVDCLR-GHTZIAJQSA-N 1 3 367.541 2.843 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370708149 513064555 /nfs/dbraw/zinc/06/45/55/513064555.db2.gz PDIYJFOMCVDCLR-GHTZIAJQSA-N 1 3 367.541 2.843 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424441786 513148148 /nfs/dbraw/zinc/14/81/48/513148148.db2.gz XEAOQRKCOJQQRM-UHFFFAOYSA-N 1 3 362.518 2.808 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417675940 513153552 /nfs/dbraw/zinc/15/35/52/513153552.db2.gz DAZFHFBOELWFRK-OXQOHEQNSA-N 1 3 356.514 2.748 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417684837 513160529 /nfs/dbraw/zinc/16/05/29/513160529.db2.gz NZZLJEJSQRCFGL-VQTJNVASSA-N 1 3 372.557 2.853 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417689733 513163295 /nfs/dbraw/zinc/16/32/95/513163295.db2.gz TZEYPIDUJYAUFK-APWZRJJASA-N 1 3 360.546 2.886 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H]1c1cccs1 ZINC000417730714 513183841 /nfs/dbraw/zinc/18/38/41/513183841.db2.gz DZEDHBNVLBGCPO-MUQADHOPSA-N 1 3 362.543 2.524 20 0 FFADHO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415305672 513196427 /nfs/dbraw/zinc/19/64/27/513196427.db2.gz HLGWRCLPFXWSRD-KRWDZBQOSA-N 1 3 360.502 2.672 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415313603 513200341 /nfs/dbraw/zinc/20/03/41/513200341.db2.gz VNKWJNOBEFZRBC-WMZOPIPTSA-N 1 3 360.502 2.800 20 0 FFADHO CCCN1C[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000421355770 513234991 /nfs/dbraw/zinc/23/49/91/513234991.db2.gz VAPSIAQTYUDLIV-XSDIEEQYSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000428984105 513239075 /nfs/dbraw/zinc/23/90/75/513239075.db2.gz WPVGNLZVFLADLF-BWPNAZKDSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000428984105 513239078 /nfs/dbraw/zinc/23/90/78/513239078.db2.gz WPVGNLZVFLADLF-BWPNAZKDSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)C1 ZINC000429043533 513266896 /nfs/dbraw/zinc/26/68/96/513266896.db2.gz SMXGMZALAKYTAH-DWQJTFDBSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)C1 ZINC000429043533 513266898 /nfs/dbraw/zinc/26/68/98/513266898.db2.gz SMXGMZALAKYTAH-DWQJTFDBSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)NC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000417922356 513278112 /nfs/dbraw/zinc/27/81/12/513278112.db2.gz ISKNUPISHOXXPU-FTEYMNFISA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)NC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000417922356 513278115 /nfs/dbraw/zinc/27/81/15/513278115.db2.gz ISKNUPISHOXXPU-FTEYMNFISA-N 1 3 358.530 2.679 20 0 FFADHO CN1CC[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)[C@H]1c1ccccc1 ZINC000417933322 513285988 /nfs/dbraw/zinc/28/59/88/513285988.db2.gz DNLITEHURRPVST-LEWJYISDSA-N 1 3 366.509 2.992 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418012842 513334494 /nfs/dbraw/zinc/33/44/94/513334494.db2.gz MMXQMJSENPXZQE-WLRLJWMZSA-N 1 3 370.541 2.538 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418024838 513339266 /nfs/dbraw/zinc/33/92/66/513339266.db2.gz CWAMPYQLMKYBGD-WOJBJXKFSA-N 1 3 360.546 2.974 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418026707 513340860 /nfs/dbraw/zinc/34/08/60/513340860.db2.gz FTUJMUFEDSKOSF-WOJBJXKFSA-N 1 3 360.546 2.913 20 0 FFADHO C[C@@]1(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCCN1Cc1ccccc1 ZINC000418041629 513349141 /nfs/dbraw/zinc/34/91/41/513349141.db2.gz KVIVLSHXDSEJGY-VXKWHMMOSA-N 1 3 370.541 2.826 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418044039 513350509 /nfs/dbraw/zinc/35/05/09/513350509.db2.gz ZPGSFOHUQQIJMW-SXLOBPIMSA-N 1 3 360.546 2.912 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(C[NH3+])CC1 ZINC000418148822 513391442 /nfs/dbraw/zinc/39/14/42/513391442.db2.gz AKMKONWFYCOWDD-IBGZPJMESA-N 1 3 358.530 2.667 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH2+]C1CC1 ZINC000418151189 513393075 /nfs/dbraw/zinc/39/30/75/513393075.db2.gz FEPLCANIEWOSTL-IBGZPJMESA-N 1 3 358.530 2.728 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000418155018 513394641 /nfs/dbraw/zinc/39/46/41/513394641.db2.gz WHBHZWVVHQPLIR-OXJNMPFZSA-N 1 3 358.530 2.666 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccco1 ZINC000418160354 513398459 /nfs/dbraw/zinc/39/84/59/513398459.db2.gz CXRRBBYVJLWSGZ-XWTMOSNGSA-N 1 3 362.518 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccco1 ZINC000418165439 513401096 /nfs/dbraw/zinc/40/10/96/513401096.db2.gz JJVBJORUATXBQS-IPELMVKDSA-N 1 3 370.497 2.895 20 0 FFADHO C[C@@H](NC(=O)N(CC[NH3+])Cc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000418189308 513413835 /nfs/dbraw/zinc/41/38/35/513413835.db2.gz VIUHWMLBDLYHNY-YLJYHZDGSA-N 1 3 354.498 2.848 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418193122 513414674 /nfs/dbraw/zinc/41/46/74/513414674.db2.gz NGKLPUXCJANLTJ-SXLOBPIMSA-N 1 3 360.546 2.914 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418203248 513420027 /nfs/dbraw/zinc/42/00/27/513420027.db2.gz KBZWSKBWFCBFSR-ICSRJNTNSA-N 1 3 374.529 2.612 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)N(CC)CC)cc1 ZINC000418206571 513421527 /nfs/dbraw/zinc/42/15/27/513421527.db2.gz AJGRHQYHHASSDW-AABGKKOBSA-N 1 3 358.530 2.635 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000418208101 513421875 /nfs/dbraw/zinc/42/18/75/513421875.db2.gz QFSLNUGIORFFBO-MJGOQNOKSA-N 1 3 362.518 2.518 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000418236006 513434803 /nfs/dbraw/zinc/43/48/03/513434803.db2.gz LYGNXYHTHZWTPH-CMKODMSKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000418236006 513434811 /nfs/dbraw/zinc/43/48/11/513434811.db2.gz LYGNXYHTHZWTPH-CMKODMSKSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCC1 ZINC000418237535 513436613 /nfs/dbraw/zinc/43/66/13/513436613.db2.gz DEZRXGFWNDOIBJ-FQEVSTJZSA-N 1 3 358.530 2.730 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000441016084 513461505 /nfs/dbraw/zinc/46/15/05/513461505.db2.gz SOQXXEQGVBYOIC-OALUTQOASA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000441016084 513461511 /nfs/dbraw/zinc/46/15/11/513461511.db2.gz SOQXXEQGVBYOIC-OALUTQOASA-N 1 3 362.562 2.959 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000434902235 513461503 /nfs/dbraw/zinc/46/15/03/513461503.db2.gz BJTWMGVWQVEOBH-QFIPXVFZSA-N 1 3 357.542 2.932 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@@H](C)C1 ZINC000415883240 513462018 /nfs/dbraw/zinc/46/20/18/513462018.db2.gz NBRWFEOSVPZQCE-OXJNMPFZSA-N 1 3 374.529 2.591 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@@H](C)C1 ZINC000415883240 513462027 /nfs/dbraw/zinc/46/20/27/513462027.db2.gz NBRWFEOSVPZQCE-OXJNMPFZSA-N 1 3 374.529 2.591 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000418326907 513465822 /nfs/dbraw/zinc/46/58/22/513465822.db2.gz LSFCGMYXDUSVTJ-PXNSSMCTSA-N 1 3 358.530 2.937 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000418331974 513467395 /nfs/dbraw/zinc/46/73/95/513467395.db2.gz CZIWHYQDVMUAAN-JLJPHGGASA-N 1 3 352.910 2.630 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCc2ccc(OCCN(C)C)cc2)c1 ZINC000415914436 513474422 /nfs/dbraw/zinc/47/44/22/513474422.db2.gz ALGLZFQDWZFILY-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCc2cccc(OCCN(C)C)c2)c1 ZINC000415920900 513479600 /nfs/dbraw/zinc/47/96/00/513479600.db2.gz QDOCKMLXWSDEMI-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418397245 513493881 /nfs/dbraw/zinc/49/38/81/513493881.db2.gz BZSBJHIGDJARIN-HOJAQTOUSA-N 1 3 358.530 2.810 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000415950417 513495056 /nfs/dbraw/zinc/49/50/56/513495056.db2.gz DIRADLXTFAFDKB-UHFFFAOYSA-N 1 3 360.477 2.954 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000415950417 513495059 /nfs/dbraw/zinc/49/50/59/513495059.db2.gz DIRADLXTFAFDKB-UHFFFAOYSA-N 1 3 360.477 2.954 20 0 FFADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000447528026 513499436 /nfs/dbraw/zinc/49/94/36/513499436.db2.gz HSNRQDRLYMLMSF-FCHUYYIVSA-N 1 3 359.558 2.851 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418435462 513510580 /nfs/dbraw/zinc/51/05/80/513510580.db2.gz WOZGNQUTZBLZKB-XUVXKRRUSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+](C)CCOCCN[C@@H]1CCCOc2c(Br)cccc21 ZINC000447601938 513519944 /nfs/dbraw/zinc/51/99/44/513519944.db2.gz QWFFRFSHQRNRNZ-OAHLLOKOSA-N 1 3 357.292 2.831 20 0 FFADHO CC1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)CC[NH2+]CC1 ZINC000418513593 513539842 /nfs/dbraw/zinc/53/98/42/513539842.db2.gz GGMAABCTYZOTOG-VQTJNVASSA-N 1 3 370.541 2.540 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416017556 513541755 /nfs/dbraw/zinc/54/17/55/513541755.db2.gz YBJLFDHATJXSBF-GOEBONIOSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000418525632 513544268 /nfs/dbraw/zinc/54/42/68/513544268.db2.gz YASOIAQCZQHPKN-GOSISDBHSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418535713 513547102 /nfs/dbraw/zinc/54/71/02/513547102.db2.gz HTVFSMZKZDUONE-GHTZIAJQSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[NH+](CCC2CCN([C@H]3CCN(C(C)(C)C)C3=O)CC2)C[C@@H](C)O1 ZINC000425413961 513552054 /nfs/dbraw/zinc/55/20/54/513552054.db2.gz CYDKWUYCNPAMND-LMMKCTJWSA-N 1 3 365.562 2.597 20 0 FFADHO CCN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418548229 513553510 /nfs/dbraw/zinc/55/35/10/513553510.db2.gz KMTSSHJLSBICSA-SXLOBPIMSA-N 1 3 358.530 2.996 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000430108979 513555166 /nfs/dbraw/zinc/55/51/66/513555166.db2.gz WDOCNHBULULSBN-PKOBYXMFSA-N 1 3 361.530 2.560 20 0 FFADHO CN(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418561245 513558607 /nfs/dbraw/zinc/55/86/07/513558607.db2.gz YEPAJSYPMVERIW-NRFANRHFSA-N 1 3 364.493 2.706 20 0 FFADHO C[NH2+]CC1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000435380923 513570730 /nfs/dbraw/zinc/57/07/30/513570730.db2.gz QJWCWWYGELHRHL-UHFFFAOYSA-N 1 3 370.497 2.680 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418611296 513576503 /nfs/dbraw/zinc/57/65/03/513576503.db2.gz DGNOWOOVBLENDB-VQTJNVASSA-N 1 3 373.545 2.595 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418613458 513578613 /nfs/dbraw/zinc/57/86/13/513578613.db2.gz FROUIWZUFVVJSW-GOSISDBHSA-N 1 3 368.472 2.556 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)Cc1ccco1 ZINC000418622153 513579940 /nfs/dbraw/zinc/57/99/40/513579940.db2.gz UZVPQNQSVFOFQT-KRWDZBQOSA-N 1 3 350.507 2.521 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418703140 513617557 /nfs/dbraw/zinc/61/75/57/513617557.db2.gz QSNRKRXUQDEQRN-OAHLLOKOSA-N 1 3 354.926 2.931 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000418713406 513620515 /nfs/dbraw/zinc/62/05/15/513620515.db2.gz XYCKYVVDXBDBMS-QWHCGFSZSA-N 1 3 360.424 2.514 20 0 FFADHO C[N@H+](CCCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425572622 513646678 /nfs/dbraw/zinc/64/66/78/513646678.db2.gz PYDZNMVPOYMMPB-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@@H+](CCCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425572622 513646684 /nfs/dbraw/zinc/64/66/84/513646684.db2.gz PYDZNMVPOYMMPB-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418766973 513647932 /nfs/dbraw/zinc/64/79/32/513647932.db2.gz LEDWGZZDDMNUCR-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418774132 513651134 /nfs/dbraw/zinc/65/11/34/513651134.db2.gz RFPBMGVFLBVYSR-IRLDBZIGSA-N 1 3 370.541 2.826 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418777856 513653871 /nfs/dbraw/zinc/65/38/71/513653871.db2.gz YXEFGANBSZIQIK-RAUXBKROSA-N 1 3 358.530 2.981 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418777855 513654223 /nfs/dbraw/zinc/65/42/23/513654223.db2.gz YXEFGANBSZIQIK-PIKOESSRSA-N 1 3 358.530 2.981 20 0 FFADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000418795600 513660266 /nfs/dbraw/zinc/66/02/66/513660266.db2.gz QRBKTUIGGAIJLE-VAMGGRTRSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425651063 513679968 /nfs/dbraw/zinc/67/99/68/513679968.db2.gz LWCWYZJLHOJLLJ-VQTJNVASSA-N 1 3 358.530 2.762 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425651063 513679977 /nfs/dbraw/zinc/67/99/77/513679977.db2.gz LWCWYZJLHOJLLJ-VQTJNVASSA-N 1 3 358.530 2.762 20 0 FFADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccc(Br)cc1F ZINC000430548028 513682519 /nfs/dbraw/zinc/68/25/19/513682519.db2.gz BAFXUNYRCHDJSZ-HNNXBMFYSA-N 1 3 360.271 2.880 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000430586810 513696169 /nfs/dbraw/zinc/69/61/69/513696169.db2.gz ZJCANRDMFXMKSN-QWHCGFSZSA-N 1 3 354.292 2.837 20 0 FFADHO C[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000430677611 513719061 /nfs/dbraw/zinc/71/90/61/513719061.db2.gz GPYDEWLRLAQLCT-KKSFZXQISA-N 1 3 367.493 2.918 20 0 FFADHO CCCN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000430696935 513726435 /nfs/dbraw/zinc/72/64/35/513726435.db2.gz RAFNFJJIVZTIFI-NHCUHLMSSA-N 1 3 373.541 2.658 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@@H](C)[C@@H](N)c3ccccc3)CCCC2)CC1 ZINC000430703440 513727510 /nfs/dbraw/zinc/72/75/10/513727510.db2.gz FJIZIEUURKVGFR-FXAWDEMLSA-N 1 3 373.541 2.862 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)N(C)C ZINC000425786545 513747618 /nfs/dbraw/zinc/74/76/18/513747618.db2.gz MCMSMAKREZOHFF-PIKOESSRSA-N 1 3 358.530 2.722 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)N(C)C ZINC000425786545 513747626 /nfs/dbraw/zinc/74/76/26/513747626.db2.gz MCMSMAKREZOHFF-PIKOESSRSA-N 1 3 358.530 2.722 20 0 FFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430872358 513770712 /nfs/dbraw/zinc/77/07/12/513770712.db2.gz IOVRSNGJFGQMGX-KXBFYZLASA-N 1 3 360.502 2.813 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000430931716 513784959 /nfs/dbraw/zinc/78/49/59/513784959.db2.gz CGPZOHLXFICKOO-OLZOCXBDSA-N 1 3 355.885 2.885 20 0 FFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCN3CCN(C)C(C)(C)C3)CC2)C1 ZINC000442873562 513799771 /nfs/dbraw/zinc/79/97/71/513799771.db2.gz RGMZVPTVTAZTBY-ICSRJNTNSA-N 1 3 350.595 2.645 20 0 FFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000430995319 513799907 /nfs/dbraw/zinc/79/99/07/513799907.db2.gz DPKXWFGFRALXET-UHFFFAOYSA-N 1 3 366.937 2.626 20 0 FFADHO CN(CCC(=O)Nc1ccc(Cl)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000430995319 513799911 /nfs/dbraw/zinc/79/99/11/513799911.db2.gz DPKXWFGFRALXET-UHFFFAOYSA-N 1 3 366.937 2.626 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)CN(C)C ZINC000425947859 513804906 /nfs/dbraw/zinc/80/49/06/513804906.db2.gz XQIYZBMMCZYHOE-STQMWFEESA-N 1 3 356.308 2.954 20 0 FFADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+](C)C ZINC000425947859 513804912 /nfs/dbraw/zinc/80/49/12/513804912.db2.gz XQIYZBMMCZYHOE-STQMWFEESA-N 1 3 356.308 2.954 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000436279154 513815753 /nfs/dbraw/zinc/81/57/53/513815753.db2.gz AMYYBKDFTSNVAZ-ZJDLJICXSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NC(C)(C)CC[NH3+])N(C)C)cc1 ZINC000422621979 513876885 /nfs/dbraw/zinc/87/68/85/513876885.db2.gz RNFHZFQSSYVQJN-KRWDZBQOSA-N 1 3 350.507 2.503 20 0 FFADHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(OC)c1OC ZINC000422703987 513906053 /nfs/dbraw/zinc/90/60/53/513906053.db2.gz OJQCCKJCHMTACR-YJBOKZPZSA-N 1 3 358.482 2.803 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422700843 513907174 /nfs/dbraw/zinc/90/71/74/513907174.db2.gz CKISCRLQXSLZNJ-RCBQFDQVSA-N 1 3 368.403 2.733 20 0 FFADHO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCOCC2)cc1 ZINC000422707892 513907604 /nfs/dbraw/zinc/90/76/04/513907604.db2.gz IJEKVZWHGXAKRK-HTAPYJJXSA-N 1 3 368.525 2.881 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000443232500 513907765 /nfs/dbraw/zinc/90/77/65/513907765.db2.gz VWQUJZOXCIIAPR-MJGOQNOKSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCOCC2)cc1 ZINC000422707895 513907994 /nfs/dbraw/zinc/90/79/94/513907994.db2.gz IJEKVZWHGXAKRK-VGSWGCGISA-N 1 3 368.525 2.881 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422747056 513920434 /nfs/dbraw/zinc/92/04/34/513920434.db2.gz OZGKAQSBAZWUKK-RCBQFDQVSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422747056 513920441 /nfs/dbraw/zinc/92/04/41/513920441.db2.gz OZGKAQSBAZWUKK-RCBQFDQVSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCN1C ZINC000443284791 513920918 /nfs/dbraw/zinc/92/09/18/513920918.db2.gz CQLWMEMJDNGZDP-ZJDLJICXSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCN1C ZINC000443284791 513920922 /nfs/dbraw/zinc/92/09/22/513920922.db2.gz CQLWMEMJDNGZDP-ZJDLJICXSA-N 1 3 355.526 2.888 20 0 FFADHO CCOc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OCC ZINC000422755511 513922379 /nfs/dbraw/zinc/92/23/79/513922379.db2.gz IDYFCJVBISJSAB-CEXWTWQISA-N 1 3 362.514 2.773 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000419796002 513931643 /nfs/dbraw/zinc/93/16/43/513931643.db2.gz PAOSLXUBMSSUFV-KRWDZBQOSA-N 1 3 364.965 2.913 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000419796002 513931653 /nfs/dbraw/zinc/93/16/53/513931653.db2.gz PAOSLXUBMSSUFV-KRWDZBQOSA-N 1 3 364.965 2.913 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787993 513932312 /nfs/dbraw/zinc/93/23/12/513932312.db2.gz MUWFULOYNRUKBJ-NUEKZKHPSA-N 1 3 360.420 2.986 20 0 FFADHO Fc1ccc(N2CCN(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422804264 513936654 /nfs/dbraw/zinc/93/66/54/513936654.db2.gz FATAZWRBMDJNAW-FDFHNCONSA-N 1 3 374.548 2.848 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000422802046 513937696 /nfs/dbraw/zinc/93/76/96/513937696.db2.gz GRQGYYMXJVTNMB-YUXAGFNASA-N 1 3 353.510 2.608 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000422806137 513938665 /nfs/dbraw/zinc/93/86/65/513938665.db2.gz KFGIRFPLZLMZGZ-ZYSHUDEJSA-N 1 3 351.922 2.820 20 0 FFADHO Brc1ccccc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422823548 513942454 /nfs/dbraw/zinc/94/24/54/513942454.db2.gz DRUYEZGMPXNNIS-USXIJHARSA-N 1 3 353.304 2.738 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422828174 513944012 /nfs/dbraw/zinc/94/40/12/513944012.db2.gz NTQXGUPTMPNYTM-DBVUQKKJSA-N 1 3 364.493 2.927 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H]3CCC[C@H]32)CC1 ZINC000426460706 513948079 /nfs/dbraw/zinc/94/80/79/513948079.db2.gz PZTAZWDGVBPAAP-WIYYLYMNSA-N 1 3 355.526 2.950 20 0 FFADHO Cc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCOCC2)c1 ZINC000422853145 513953192 /nfs/dbraw/zinc/95/31/92/513953192.db2.gz BNSSWYGRKAJXMN-HTAPYJJXSA-N 1 3 368.525 2.881 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCC[C@H]1C ZINC000414061205 513959457 /nfs/dbraw/zinc/95/94/57/513959457.db2.gz KFLJZUZMWNREEJ-HUUCEWRRSA-N 1 3 370.335 2.853 20 0 FFADHO CCN1CCN(c2ccc(CN[C@H](C)C[C@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000422875163 513959521 /nfs/dbraw/zinc/95/95/21/513959521.db2.gz CCHZEHBOOILLAU-UYAOXDASSA-N 1 3 359.562 2.624 20 0 FFADHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422878255 513961599 /nfs/dbraw/zinc/96/15/99/513961599.db2.gz JWQWWHJMMVMPJL-NJDAHSKKSA-N 1 3 371.573 2.624 20 0 FFADHO Cc1cccc(N2CC[NH+](CCCCN[C@H](C)c3ccn(C)n3)CC2)c1 ZINC000414066555 513961906 /nfs/dbraw/zinc/96/19/06/513961906.db2.gz PROJPOLWNXCIIP-LJQANCHMSA-N 1 3 355.530 2.982 20 0 FFADHO CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416780404 513963530 /nfs/dbraw/zinc/96/35/30/513963530.db2.gz CJQCEWYWHBONRX-XNMUZJSGSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422889062 513965254 /nfs/dbraw/zinc/96/52/54/513965254.db2.gz OSWOIESEOSCLOQ-YLJYHZDGSA-N 1 3 364.965 2.830 20 0 FFADHO C[C@@H](NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422891947 513966868 /nfs/dbraw/zinc/96/68/68/513966868.db2.gz WZJRZSWLMAPTMG-APWZRJJASA-N 1 3 350.938 2.582 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000416818986 513980770 /nfs/dbraw/zinc/98/07/70/513980770.db2.gz JBMYFMLWDAFQBD-QRFRQXIXSA-N 1 3 374.529 2.649 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422944043 513985616 /nfs/dbraw/zinc/98/56/16/513985616.db2.gz MAWGNDXOMMXGLT-PBHICJAKSA-N 1 3 364.461 2.950 20 0 FFADHO O=C(CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000422947845 513986912 /nfs/dbraw/zinc/98/69/12/513986912.db2.gz QOCTVDMRUCIOBF-FGTMMUONSA-N 1 3 365.905 2.805 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)N(C)C)cc1 ZINC000416830824 513988460 /nfs/dbraw/zinc/98/84/60/513988460.db2.gz AOUTWVQESOVWGT-MUGJNUQGSA-N 1 3 358.530 2.621 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCC(=O)N1CCc2ccccc21 ZINC000422951887 513988772 /nfs/dbraw/zinc/98/87/72/513988772.db2.gz AQBIWAQHKNNXLG-YLJYHZDGSA-N 1 3 351.494 2.904 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000416830641 513989335 /nfs/dbraw/zinc/98/93/35/513989335.db2.gz AIBYGCKLOZWTOA-QGZVFWFLSA-N 1 3 364.559 2.916 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416833363 513990574 /nfs/dbraw/zinc/99/05/74/513990574.db2.gz XGPSCMVQBGXYGM-CTNGQTDRSA-N 1 3 374.529 2.521 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416837022 513991820 /nfs/dbraw/zinc/99/18/20/513991820.db2.gz HHGWFTVPZRFHIV-APWZRJJASA-N 1 3 362.543 2.670 20 0 FFADHO CC[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000414171267 513995164 /nfs/dbraw/zinc/99/51/64/513995164.db2.gz CZQDFNNDHOQTJJ-IEBWSBKVSA-N 1 3 361.530 2.926 20 0 FFADHO CC[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000414171267 513995174 /nfs/dbraw/zinc/99/51/74/513995174.db2.gz CZQDFNNDHOQTJJ-IEBWSBKVSA-N 1 3 361.530 2.926 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000416841402 513996636 /nfs/dbraw/zinc/99/66/36/513996636.db2.gz LYHLKWLUMXIRKV-NRFANRHFSA-N 1 3 366.509 2.954 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000422978681 513997435 /nfs/dbraw/zinc/99/74/35/513997435.db2.gz KDDMHOCKKXOGQX-PSWRPDDJSA-N 1 3 359.558 2.770 20 0 FFADHO CC(C)C[C@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414183739 514001711 /nfs/dbraw/zinc/00/17/11/514001711.db2.gz FKFOYUASVJDQOQ-UXHICEINSA-N 1 3 351.579 2.978 20 0 FFADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414184636 514001936 /nfs/dbraw/zinc/00/19/36/514001936.db2.gz FZHBVVHLCVCUAK-KRWDZBQOSA-N 1 3 365.949 2.657 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414185822 514002230 /nfs/dbraw/zinc/00/22/30/514002230.db2.gz HHENZEOOSGMBEE-LEWJYISDSA-N 1 3 357.542 2.709 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCc3ccc(Cl)cc32)(N2CCOCC2)CC1 ZINC000414197768 514008245 /nfs/dbraw/zinc/00/82/45/514008245.db2.gz PYRKPAQMTIVJJW-IBGZPJMESA-N 1 3 363.933 2.714 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CN1Cc1ccccc1 ZINC000423011540 514008274 /nfs/dbraw/zinc/00/82/74/514008274.db2.gz JCYORIRYFFVDQU-IVAOSVALSA-N 1 3 355.526 2.936 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cnc2ccsc2c1 ZINC000414207656 514012673 /nfs/dbraw/zinc/01/26/73/514012673.db2.gz ZQNYXHGLEJWNIH-INIZCTEOSA-N 1 3 374.554 2.744 20 0 FFADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000423037225 514014418 /nfs/dbraw/zinc/01/44/18/514014418.db2.gz VVKNAVUWPSVADM-KZNAEPCWSA-N 1 3 374.460 2.555 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423056908 514021284 /nfs/dbraw/zinc/02/12/84/514021284.db2.gz ZAOLGJLJGYWPIJ-DUVNUKRYSA-N 1 3 355.404 2.523 20 0 FFADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423074293 514028753 /nfs/dbraw/zinc/02/87/53/514028753.db2.gz UJRDMZBWZUTYEE-RRFJBIMHSA-N 1 3 351.516 2.763 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423073573 514029032 /nfs/dbraw/zinc/02/90/32/514029032.db2.gz JEDSGJZIUWFGST-FZMZJTMJSA-N 1 3 367.415 2.768 20 0 FFADHO CCOC(=O)c1csc(CCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000423074792 514029290 /nfs/dbraw/zinc/02/92/90/514029290.db2.gz VHFWWANOFDSORO-HZPDHXFCSA-N 1 3 359.495 2.945 20 0 FFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000423082001 514034094 /nfs/dbraw/zinc/03/40/94/514034094.db2.gz DRGHRKUPQVWABT-WFASDCNBSA-N 1 3 354.292 2.662 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416901581 514035386 /nfs/dbraw/zinc/03/53/86/514035386.db2.gz AJZXQYMGYKPEPN-AZUAARDMSA-N 1 3 374.529 2.614 20 0 FFADHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1(C(=O)OC)CCC1 ZINC000414300346 514039738 /nfs/dbraw/zinc/03/97/38/514039738.db2.gz ISEYGORLZFCHKE-IBGZPJMESA-N 1 3 374.525 2.725 20 0 FFADHO C[C@H](CCCC[NH3+])NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423107086 514044467 /nfs/dbraw/zinc/04/44/67/514044467.db2.gz PFHKWBJXEDYKKM-LLVKDONJSA-N 1 3 352.422 2.716 20 0 FFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414349273 514059232 /nfs/dbraw/zinc/05/92/32/514059232.db2.gz YOTNFSBCUWOKMO-RTWAWAEBSA-N 1 3 373.541 2.679 20 0 FFADHO Clc1cccc(-n2ccnc2)c1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423148581 514059981 /nfs/dbraw/zinc/05/99/81/514059981.db2.gz WAOHOUJSGPKETF-BMGDILEWSA-N 1 3 360.889 2.772 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449077523 514061877 /nfs/dbraw/zinc/06/18/77/514061877.db2.gz JWWRBZGOMQQXEG-UHFFFAOYSA-N 1 3 373.520 2.734 20 0 FFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(F)cc(Br)c1 ZINC000423172479 514069633 /nfs/dbraw/zinc/06/96/33/514069633.db2.gz TWISVECMEODGJK-QIXHYMPYSA-N 1 3 371.294 2.612 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449107943 514074899 /nfs/dbraw/zinc/07/48/99/514074899.db2.gz PIPMKIBDLSBYQW-IFMALSPDSA-N 1 3 351.494 2.857 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000420298835 514078631 /nfs/dbraw/zinc/07/86/31/514078631.db2.gz HZANSRQFQQZRGO-QFBILLFUSA-N 1 3 361.530 2.610 20 0 FFADHO CN(CCC(=O)Nc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000420304641 514082401 /nfs/dbraw/zinc/08/24/01/514082401.db2.gz FGEBPOUKCNJSHG-CYBMUJFWSA-N 1 3 354.292 2.852 20 0 FFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000423223966 514082866 /nfs/dbraw/zinc/08/28/66/514082866.db2.gz BBDFRCBEHCRYOA-PXNSSMCTSA-N 1 3 357.546 2.946 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000416975947 514082978 /nfs/dbraw/zinc/08/29/78/514082978.db2.gz NNTUBEYRUVGMDG-SQNIBIBYSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000416975947 514082982 /nfs/dbraw/zinc/08/29/82/514082982.db2.gz NNTUBEYRUVGMDG-SQNIBIBYSA-N 1 3 358.530 2.953 20 0 FFADHO O=C(NC[C@@H]1CCCN([C@@H]2CCCc3ccc(F)cc32)C1)[C@H]1CCC[NH2+]1 ZINC000420309105 514084386 /nfs/dbraw/zinc/08/43/86/514084386.db2.gz DKPPPUJDWXZANF-CWFSZBLJSA-N 1 3 359.489 2.783 20 0 FFADHO C[C@H](C(=O)N1CCSc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331634 514098043 /nfs/dbraw/zinc/09/80/43/514098043.db2.gz RBTYSQPEMPGMEE-BRWVUGGUSA-N 1 3 359.539 2.835 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)ccc2o1 ZINC000420337530 514099311 /nfs/dbraw/zinc/09/93/11/514099311.db2.gz QZIINXBJLLPBFB-APWZRJJASA-N 1 3 358.438 2.548 20 0 FFADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000420344038 514103214 /nfs/dbraw/zinc/10/32/14/514103214.db2.gz RUMHWTHSXSCIEF-URVUXULASA-N 1 3 355.526 2.884 20 0 FFADHO CN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H]1CCCc2ccccc21 ZINC000420345403 514104257 /nfs/dbraw/zinc/10/42/57/514104257.db2.gz WDUMNMIIIRSAMX-DYXWJJEUSA-N 1 3 355.526 2.844 20 0 FFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345685 514104547 /nfs/dbraw/zinc/10/45/47/514104547.db2.gz WJQJZMMFKSOVHH-PKAKPEFWSA-N 1 3 359.558 2.781 20 0 FFADHO CN1CCO[C@@H]([C@H](NCC2(C)CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423325222 514109114 /nfs/dbraw/zinc/10/91/14/514109114.db2.gz JFOPHGANIRCDIX-QZTJIDSGSA-N 1 3 351.922 2.691 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000437189528 514110374 /nfs/dbraw/zinc/11/03/74/514110374.db2.gz TVYNZLASSAJKHI-OAQYLSRUSA-N 1 3 372.557 2.773 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417008057 514112828 /nfs/dbraw/zinc/11/28/28/514112828.db2.gz ICHZKLJABSKWJU-PWIZWCRZSA-N 1 3 358.530 2.640 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCCc3nc(-c4ccccc4)no3)CC2)C1 ZINC000420380677 514115988 /nfs/dbraw/zinc/11/59/88/514115988.db2.gz BZNOXCDKMDXGRG-RBUKOAKNSA-N 1 3 370.497 2.888 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417012404 514117785 /nfs/dbraw/zinc/11/77/85/514117785.db2.gz AIJNQZDJEXEAMT-RTWAWAEBSA-N 1 3 370.541 2.855 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000417012233 514118759 /nfs/dbraw/zinc/11/87/59/514118759.db2.gz WLKFIVXLLLYEDP-HYVNUMGLSA-N 1 3 352.548 2.948 20 0 FFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000423371667 514119752 /nfs/dbraw/zinc/11/97/52/514119752.db2.gz APTGDKYQZGATQG-BXUZGUMPSA-N 1 3 367.362 2.775 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000423370434 514120048 /nfs/dbraw/zinc/12/00/48/514120048.db2.gz DHFWLEZQSLCEOJ-HXUWFJFHSA-N 1 3 361.530 2.931 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000423397563 514127797 /nfs/dbraw/zinc/12/77/97/514127797.db2.gz SOOHRDKTQSBYIE-DWLFOUALSA-N 1 3 355.526 2.889 20 0 FFADHO CC(C)[C@H](C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1)[C@@H](C)[NH3+] ZINC000423410415 514133488 /nfs/dbraw/zinc/13/34/88/514133488.db2.gz AFKRJMUKOKQWEI-AOIWGVFYSA-N 1 3 361.530 2.622 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417034963 514133586 /nfs/dbraw/zinc/13/35/86/514133586.db2.gz RWKYQAPWJNESNP-IBGZPJMESA-N 1 3 356.514 2.609 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000417039256 514136255 /nfs/dbraw/zinc/13/62/55/514136255.db2.gz VATJEPLSDQYZCZ-BJLQDIEVSA-N 1 3 358.530 2.888 20 0 FFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423430284 514138938 /nfs/dbraw/zinc/13/89/38/514138938.db2.gz KWBOWZPFCWZCED-GGAORHGYSA-N 1 3 363.505 2.947 20 0 FFADHO COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423445224 514143878 /nfs/dbraw/zinc/14/38/78/514143878.db2.gz BRBYKAWYAIYOEY-FXHACXQTSA-N 1 3 365.905 2.646 20 0 FFADHO COC(=O)CCCN1CCC(Nc2ccc(C[NH+](C)C)cc2F)CC1 ZINC000414494295 514148470 /nfs/dbraw/zinc/14/84/70/514148470.db2.gz DRVMSKURWYEFIC-UHFFFAOYSA-N 1 3 351.466 2.717 20 0 FFADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](N[C@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423518853 514159696 /nfs/dbraw/zinc/15/96/96/514159696.db2.gz PJBRFIMJAFQBCK-UXHICEINSA-N 1 3 373.522 2.781 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@H](CC[NH3+])C1)N1CCc2ccccc2C1 ZINC000417089061 514163305 /nfs/dbraw/zinc/16/33/05/514163305.db2.gz MWQRMIAPYZFLFM-QGZVFWFLSA-N 1 3 358.530 2.594 20 0 FFADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3ccc(F)c(F)c3)cc2)CC1 ZINC000414554840 514177142 /nfs/dbraw/zinc/17/71/42/514177142.db2.gz LQDYABZGBINDME-UHFFFAOYSA-N 1 3 373.447 2.952 20 0 FFADHO [NH3+][C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000417123291 514179102 /nfs/dbraw/zinc/17/91/02/514179102.db2.gz YORBODVYYCOSMV-UXHICEINSA-N 1 3 352.482 2.650 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000427328903 514185158 /nfs/dbraw/zinc/18/51/58/514185158.db2.gz IRLABWFHDNPTDZ-SFHVURJKSA-N 1 3 373.541 2.803 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000417218327 514239374 /nfs/dbraw/zinc/23/93/74/514239374.db2.gz SQTLULANVFOSKL-RTWAWAEBSA-N 1 3 370.541 2.996 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000423840536 514258696 /nfs/dbraw/zinc/25/86/96/514258696.db2.gz FCZHQWMUVVSXAW-KRWDZBQOSA-N 1 3 366.509 2.799 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000423853116 514264061 /nfs/dbraw/zinc/26/40/61/514264061.db2.gz SMKFBWNEXQOPFR-LAUBAEHRSA-N 1 3 367.493 2.727 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c(C)c2)CC1 ZINC000414749516 514273046 /nfs/dbraw/zinc/27/30/46/514273046.db2.gz KGSQNXSQKNNAOS-GOSISDBHSA-N 1 3 361.534 2.632 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000420776795 514291858 /nfs/dbraw/zinc/29/18/58/514291858.db2.gz GBASZLIIOHNMCU-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000420776795 514291864 /nfs/dbraw/zinc/29/18/64/514291864.db2.gz GBASZLIIOHNMCU-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)N2CCCC2)cc1 ZINC000417351352 514306934 /nfs/dbraw/zinc/30/69/34/514306934.db2.gz CKGZYAWUZLKGGN-FQEVSTJZSA-N 1 3 370.541 2.917 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417361136 514311736 /nfs/dbraw/zinc/31/17/36/514311736.db2.gz INJWZKBODQSGDN-SJORKVTESA-N 1 3 364.559 2.601 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000417361382 514311964 /nfs/dbraw/zinc/31/19/64/514311964.db2.gz YVGREQMNZWGZOT-ICSRJNTNSA-N 1 3 358.530 2.773 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)c(OC)c1 ZINC000414832949 514315397 /nfs/dbraw/zinc/31/53/97/514315397.db2.gz FKHXXIBLQUZAHV-KBXCAEBGSA-N 1 3 363.502 2.918 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000417398650 514332160 /nfs/dbraw/zinc/33/21/60/514332160.db2.gz HQECWMIFHIVDEZ-OAQYLSRUSA-N 1 3 366.509 2.825 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000417398650 514332165 /nfs/dbraw/zinc/33/21/65/514332165.db2.gz HQECWMIFHIVDEZ-OAQYLSRUSA-N 1 3 366.509 2.825 20 0 FFADHO C[C@H](Cc1ccccc1F)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000438219526 514332558 /nfs/dbraw/zinc/33/25/58/514332558.db2.gz MKWIBOHFMFYZHT-GOSISDBHSA-N 1 3 356.489 2.954 20 0 FFADHO CC(C)(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000424018582 514343935 /nfs/dbraw/zinc/34/39/35/514343935.db2.gz ITXWGCQHZXSTAU-IPMKNSEASA-N 1 3 355.457 2.805 20 0 FFADHO COCC1(CNCc2ccc(Br)cc2OC)CC[NH2+]CC1 ZINC000414976663 514383560 /nfs/dbraw/zinc/38/35/60/514383560.db2.gz PPDSGMRGZSQLCE-UHFFFAOYSA-N 1 3 357.292 2.564 20 0 FFADHO O=C1CC[C@@H](NCc2cccc(Cl)c2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000414987109 514388369 /nfs/dbraw/zinc/38/83/69/514388369.db2.gz KCSCLKLXHPVLEU-PBHICJAKSA-N 1 3 356.297 2.730 20 0 FFADHO CC(C)[C@H](C[NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000433153420 514400665 /nfs/dbraw/zinc/40/06/65/514400665.db2.gz WACOATJOMQECRG-SFHVURJKSA-N 1 3 367.921 2.530 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000438547612 514401257 /nfs/dbraw/zinc/40/12/57/514401257.db2.gz TUKWCAFQGKJDRX-HXUWFJFHSA-N 1 3 359.514 2.650 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000438547612 514401260 /nfs/dbraw/zinc/40/12/60/514401260.db2.gz TUKWCAFQGKJDRX-HXUWFJFHSA-N 1 3 359.514 2.650 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)N(C)c3ccccc3)CC2)CC1 ZINC000420976446 514414896 /nfs/dbraw/zinc/41/48/96/514414896.db2.gz HADCWUXDZNVFOX-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCC(=O)N(C)c3ccccc3)CC2)CC1 ZINC000420976446 514414897 /nfs/dbraw/zinc/41/48/97/514414897.db2.gz HADCWUXDZNVFOX-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO C[C@](C[NH3+])(NC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CC1 ZINC000415072558 514429031 /nfs/dbraw/zinc/42/90/31/514429031.db2.gz WRIFWLVZGXLVMO-LJQANCHMSA-N 1 3 362.543 2.527 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000415086184 514437648 /nfs/dbraw/zinc/43/76/48/514437648.db2.gz RJVXLIJINPMSQB-AGOPTVSRSA-N 1 3 373.541 2.788 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cc(F)c(Cl)cc1Cl ZINC000415098173 514441555 /nfs/dbraw/zinc/44/15/55/514441555.db2.gz DYZBXPZARLKKLU-MNOVXSKESA-N 1 3 362.276 2.980 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cc(F)c(Cl)cc1Cl ZINC000415098176 514442044 /nfs/dbraw/zinc/44/20/44/514442044.db2.gz DYZBXPZARLKKLU-QWRGUYRKSA-N 1 3 362.276 2.980 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)N(C)Cc1ccc(Cl)s1)CC[NH2+]CC2 ZINC000424286080 514447718 /nfs/dbraw/zinc/44/77/18/514447718.db2.gz GXJGWTOCZPTAKP-CYBMUJFWSA-N 1 3 355.935 2.824 20 0 FFADHO CCOc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)n1 ZINC000415123360 514454300 /nfs/dbraw/zinc/45/43/00/514454300.db2.gz ATKNKFXOHKPWBP-UHFFFAOYSA-N 1 3 354.498 2.563 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000439256070 514515724 /nfs/dbraw/zinc/51/57/24/514515724.db2.gz HFPVODLTZRCCPD-ZCNNSNEGSA-N 1 3 356.514 2.529 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000439256070 514515731 /nfs/dbraw/zinc/51/57/31/514515731.db2.gz HFPVODLTZRCCPD-ZCNNSNEGSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433569455 514518003 /nfs/dbraw/zinc/51/80/03/514518003.db2.gz RKUWLHBGPNPVJI-HKUYNNGSSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433569455 514518005 /nfs/dbraw/zinc/51/80/05/514518005.db2.gz RKUWLHBGPNPVJI-HKUYNNGSSA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453067395 514533800 /nfs/dbraw/zinc/53/38/00/514533800.db2.gz XPTZVLHNRUTEPB-ROUUACIJSA-N 1 3 355.530 2.764 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453137031 514554811 /nfs/dbraw/zinc/55/48/11/514554811.db2.gz CECQJHOXLHTULB-BQJUDKOJSA-N 1 3 370.541 2.823 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453137031 514554816 /nfs/dbraw/zinc/55/48/16/514554816.db2.gz CECQJHOXLHTULB-BQJUDKOJSA-N 1 3 370.541 2.823 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000455499399 514559256 /nfs/dbraw/zinc/55/92/56/514559256.db2.gz BZAZDCFRPBBWSD-IBGZPJMESA-N 1 3 356.514 2.577 20 0 FFADHO COCC[C@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475131224 514567552 /nfs/dbraw/zinc/56/75/52/514567552.db2.gz YYXLBRMARAMCAD-UYAOXDASSA-N 1 3 361.530 2.544 20 0 FFADHO COCC[C@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475131224 514567554 /nfs/dbraw/zinc/56/75/54/514567554.db2.gz YYXLBRMARAMCAD-UYAOXDASSA-N 1 3 361.530 2.544 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)Cc1ccccc1 ZINC000466205556 514576198 /nfs/dbraw/zinc/57/61/98/514576198.db2.gz PONDXXUTRTZEJK-YYWHXJBOSA-N 1 3 372.557 2.721 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NCCN3C[C@H]4CC[C@@H](C3)O4)[C@H]3CCC[C@H]32)cc1 ZINC000453323719 514601147 /nfs/dbraw/zinc/60/11/47/514601147.db2.gz BICIOWYCLNIPKW-ISBRNDMJSA-N 1 3 369.553 2.882 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NCCN3C[C@H]4CC[C@@H](C3)O4)[C@H]3CCC[C@H]32)cc1 ZINC000453323719 514601158 /nfs/dbraw/zinc/60/11/58/514601158.db2.gz BICIOWYCLNIPKW-ISBRNDMJSA-N 1 3 369.553 2.882 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000479541686 514622757 /nfs/dbraw/zinc/62/27/57/514622757.db2.gz LFYRURWWBIJUIX-PKOBYXMFSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000479541686 514622766 /nfs/dbraw/zinc/62/27/66/514622766.db2.gz LFYRURWWBIJUIX-PKOBYXMFSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)C1 ZINC000488907931 514628869 /nfs/dbraw/zinc/62/88/69/514628869.db2.gz JLHZUDTVQQUPMC-FKSLSLAPSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)C1 ZINC000488907931 514628875 /nfs/dbraw/zinc/62/88/75/514628875.db2.gz JLHZUDTVQQUPMC-FKSLSLAPSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)C1 ZINC000488907929 514629406 /nfs/dbraw/zinc/62/94/06/514629406.db2.gz JLHZUDTVQQUPMC-APAFKAMOSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)C1 ZINC000488907929 514629421 /nfs/dbraw/zinc/62/94/21/514629421.db2.gz JLHZUDTVQQUPMC-APAFKAMOSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000466569699 514696075 /nfs/dbraw/zinc/69/60/75/514696075.db2.gz IPUBCKORQWHSHT-GJYPPUQNSA-N 1 3 358.530 2.898 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN(C2CCC2)C1 ZINC000489072290 514696088 /nfs/dbraw/zinc/69/60/88/514696088.db2.gz JTSXTRYPUDAKIH-FUHWJXTLSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458503691 514851791 /nfs/dbraw/zinc/85/17/91/514851791.db2.gz MFOQTKQNZQREQL-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458503691 514851800 /nfs/dbraw/zinc/85/18/00/514851800.db2.gz MFOQTKQNZQREQL-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)C1 ZINC000489474458 514860239 /nfs/dbraw/zinc/86/02/39/514860239.db2.gz KQZMAVQSELCLGO-QKLQHJQFSA-N 1 3 362.562 2.765 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508700575 514868129 /nfs/dbraw/zinc/86/81/29/514868129.db2.gz RAQPCAKBDVLAJM-BVSLBCMMSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@H](CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508700575 514868139 /nfs/dbraw/zinc/86/81/39/514868139.db2.gz RAQPCAKBDVLAJM-BVSLBCMMSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508700575 514868149 /nfs/dbraw/zinc/86/81/49/514868149.db2.gz RAQPCAKBDVLAJM-BVSLBCMMSA-N 1 3 359.558 2.843 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000503014489 514880534 /nfs/dbraw/zinc/88/05/34/514880534.db2.gz OGZRTPIBKWSSAH-NHCUHLMSSA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000458576432 514916946 /nfs/dbraw/zinc/91/69/46/514916946.db2.gz JFVXEXJLLXUZAI-DBVUQKKJSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000458576432 514916950 /nfs/dbraw/zinc/91/69/50/514916950.db2.gz JFVXEXJLLXUZAI-DBVUQKKJSA-N 1 3 356.514 2.558 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462192458 514933284 /nfs/dbraw/zinc/93/32/84/514933284.db2.gz BXWMYVUNDLXYJW-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462192458 514933294 /nfs/dbraw/zinc/93/32/94/514933294.db2.gz BXWMYVUNDLXYJW-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO COc1cccc([C@H](CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)N2CCCC2)c1 ZINC000503159104 514939213 /nfs/dbraw/zinc/93/92/13/514939213.db2.gz WBQLRGQGOZVRIT-PXNSSMCTSA-N 1 3 374.529 2.568 20 0 FFADHO COc1cccc([C@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)N2CCCC2)c1 ZINC000503159104 514939219 /nfs/dbraw/zinc/93/92/19/514939219.db2.gz WBQLRGQGOZVRIT-PXNSSMCTSA-N 1 3 374.529 2.568 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000467208255 514941050 /nfs/dbraw/zinc/94/10/50/514941050.db2.gz RHRKPXBQRYJJCS-UZLBHIALSA-N 1 3 359.514 2.620 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508898928 514945422 /nfs/dbraw/zinc/94/54/22/514945422.db2.gz MVOHDELGXUOMTC-WSTZPKSXSA-N 1 3 360.546 2.969 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508898928 514945427 /nfs/dbraw/zinc/94/54/27/514945427.db2.gz MVOHDELGXUOMTC-WSTZPKSXSA-N 1 3 360.546 2.969 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@]4(CCN(C)C4)C3)CC2)CC1 ZINC000489790556 514978081 /nfs/dbraw/zinc/97/80/81/514978081.db2.gz MQLXYMDFEKLMSP-GZNCHQMQSA-N 1 3 362.562 2.767 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc2)CC1 ZINC000456165075 514993765 /nfs/dbraw/zinc/99/37/65/514993765.db2.gz HPNKSLCYAVEIDZ-UHFFFAOYSA-N 1 3 360.546 2.679 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C)CC[C@H]1C ZINC000489846447 514996648 /nfs/dbraw/zinc/99/66/48/514996648.db2.gz NIDAEFWUEAVPQX-GGPKGHCWSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C)CC[C@H]1C ZINC000489846447 514996659 /nfs/dbraw/zinc/99/66/59/514996659.db2.gz NIDAEFWUEAVPQX-GGPKGHCWSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000503405519 515022204 /nfs/dbraw/zinc/02/22/04/515022204.db2.gz ZSXNYMYWZQIIAN-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO CC[C@]1(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)CCC[NH2+]1 ZINC000467705442 515086280 /nfs/dbraw/zinc/08/62/80/515086280.db2.gz CPTLPJWZJOYHID-JOCHJYFZSA-N 1 3 372.557 2.546 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490240476 515150853 /nfs/dbraw/zinc/15/08/53/515150853.db2.gz DYGLNXRGKGICBP-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490240497 515152006 /nfs/dbraw/zinc/15/20/06/515152006.db2.gz DYGLNXRGKGICBP-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000498989936 515155132 /nfs/dbraw/zinc/15/51/32/515155132.db2.gz TVDBXDOGOAUCHG-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000498989936 515155141 /nfs/dbraw/zinc/15/51/41/515155141.db2.gz TVDBXDOGOAUCHG-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000498989936 515155148 /nfs/dbraw/zinc/15/51/48/515155148.db2.gz TVDBXDOGOAUCHG-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000498989936 515155155 /nfs/dbraw/zinc/15/51/55/515155155.db2.gz TVDBXDOGOAUCHG-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO CCC(CC)[C@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCC1 ZINC000481025254 515176414 /nfs/dbraw/zinc/17/64/14/515176414.db2.gz PCQZCJIGDAQAJK-PKOBYXMFSA-N 1 3 370.607 2.624 20 0 FFADHO CC[C@@H]1C[N@H+](CCn2ccnc2C)[C@H](CC)CN1CCn1ccnc1C ZINC000499058240 515182386 /nfs/dbraw/zinc/18/23/86/515182386.db2.gz YUQSCJZAEGYWLN-WOJBJXKFSA-N 1 3 358.534 2.571 20 0 FFADHO CC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@H](CC)CN1CCn1ccnc1C ZINC000499058240 515182395 /nfs/dbraw/zinc/18/23/95/515182395.db2.gz YUQSCJZAEGYWLN-WOJBJXKFSA-N 1 3 358.534 2.571 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000499113315 515205149 /nfs/dbraw/zinc/20/51/49/515205149.db2.gz PCBGZALJAPFELK-VVLHAWIVSA-N 1 3 350.507 2.881 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481161867 515231392 /nfs/dbraw/zinc/23/13/92/515231392.db2.gz BUMHPXABUBZAAG-NNWRFLSQSA-N 1 3 359.558 2.579 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccco1 ZINC000509570999 515236935 /nfs/dbraw/zinc/23/69/35/515236935.db2.gz RILDNZOEJMGUHE-DOTOQJQBSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccco1 ZINC000509609218 515256267 /nfs/dbraw/zinc/25/62/67/515256267.db2.gz GBQJEIYNFHPOQY-RCCFBDPRSA-N 1 3 362.518 2.836 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000476937719 515257110 /nfs/dbraw/zinc/25/71/10/515257110.db2.gz FBWHEFJUPOJMNB-PCCBWWKXSA-N 1 3 370.541 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000476937719 515257117 /nfs/dbraw/zinc/25/71/17/515257117.db2.gz FBWHEFJUPOJMNB-PCCBWWKXSA-N 1 3 370.541 2.823 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000499310505 515279240 /nfs/dbraw/zinc/27/92/40/515279240.db2.gz GIKZBJGKWZSGLP-CRAIPNDOSA-N 1 3 364.534 2.573 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000472479346 515285679 /nfs/dbraw/zinc/28/56/79/515285679.db2.gz VPYVWZSUZKRBDW-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 ZINC000481486524 515344409 /nfs/dbraw/zinc/34/44/09/515344409.db2.gz PZYPGJPVXDGNGP-QGZVFWFLSA-N 1 3 361.505 2.996 20 0 FFADHO CN(CCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CC1 ZINC000490992177 515351884 /nfs/dbraw/zinc/35/18/84/515351884.db2.gz YDINVVOTBCYQGB-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000491012714 515355720 /nfs/dbraw/zinc/35/57/20/515355720.db2.gz YKNYRARFEDQPEB-NZQKXSOJSA-N 1 3 370.585 2.657 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459151607 515358336 /nfs/dbraw/zinc/35/83/36/515358336.db2.gz IDSXYVMHGFWDAO-ICSRJNTNSA-N 1 3 373.545 2.590 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459151607 515358346 /nfs/dbraw/zinc/35/83/46/515358346.db2.gz IDSXYVMHGFWDAO-ICSRJNTNSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCCN1C ZINC000477193268 515364901 /nfs/dbraw/zinc/36/49/01/515364901.db2.gz LMHADFYPBZCWNF-NSISKUIASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCCN1C ZINC000477193268 515364906 /nfs/dbraw/zinc/36/49/06/515364906.db2.gz LMHADFYPBZCWNF-NSISKUIASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000477219493 515372873 /nfs/dbraw/zinc/37/28/73/515372873.db2.gz HENZPKDMUPGXRZ-MAODMQOUSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000477219493 515372882 /nfs/dbraw/zinc/37/28/82/515372882.db2.gz HENZPKDMUPGXRZ-MAODMQOUSA-N 1 3 370.541 2.679 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000468573760 515420740 /nfs/dbraw/zinc/42/07/40/515420740.db2.gz ABGUSWPMOZBZFI-HXUWFJFHSA-N 1 3 357.542 2.917 20 0 FFADHO CN(CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000491876400 515478366 /nfs/dbraw/zinc/47/83/66/515478366.db2.gz PUDVWBFXBNACPI-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO CN(CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000491876400 515478376 /nfs/dbraw/zinc/47/83/76/515478376.db2.gz PUDVWBFXBNACPI-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H]1CCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454463051 515507363 /nfs/dbraw/zinc/50/73/63/515507363.db2.gz UPKMAQYNZUSIOR-DLBZAZTESA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000454465271 515508859 /nfs/dbraw/zinc/50/88/59/515508859.db2.gz WOHNBFSHNTXCET-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000454465271 515508873 /nfs/dbraw/zinc/50/88/73/515508873.db2.gz WOHNBFSHNTXCET-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000459421800 515542099 /nfs/dbraw/zinc/54/20/99/515542099.db2.gz WYCHXWJZAHOJMU-WIYYLYMNSA-N 1 3 360.546 2.777 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)CC(C)C ZINC000468912429 515579049 /nfs/dbraw/zinc/57/90/49/515579049.db2.gz LDVLBJJXDAJYPB-LJQANCHMSA-N 1 3 367.578 2.894 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000468920587 515583368 /nfs/dbraw/zinc/58/33/68/515583368.db2.gz ICJAZJMTGCWVIX-LJQANCHMSA-N 1 3 365.562 2.792 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000468920587 515583373 /nfs/dbraw/zinc/58/33/73/515583373.db2.gz ICJAZJMTGCWVIX-LJQANCHMSA-N 1 3 365.562 2.792 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCCC1 ZINC000510573750 515593078 /nfs/dbraw/zinc/59/30/78/515593078.db2.gz NVCKNNQZLJSTOV-APWZRJJASA-N 1 3 350.551 2.837 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000454626569 515618426 /nfs/dbraw/zinc/61/84/26/515618426.db2.gz VJPOEWDDVJWSNO-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO OC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccc(F)c(F)c1 ZINC000459527848 515622598 /nfs/dbraw/zinc/62/25/98/515622598.db2.gz QGGDJEZSXHEAAV-MRXNPFEDSA-N 1 3 361.436 2.769 20 0 FFADHO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CCCN1C1CC1 ZINC000473511032 515640627 /nfs/dbraw/zinc/64/06/27/515640627.db2.gz GVWFFTDUVWBLKY-AVVWSFFYSA-N 1 3 359.436 2.535 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000505760517 515659898 /nfs/dbraw/zinc/65/98/98/515659898.db2.gz TVDXKKFUEGSABS-AQNXPRMDSA-N 1 3 361.505 2.804 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000505760517 515659908 /nfs/dbraw/zinc/65/99/08/515659908.db2.gz TVDXKKFUEGSABS-AQNXPRMDSA-N 1 3 361.505 2.804 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000457120243 515666317 /nfs/dbraw/zinc/66/63/17/515666317.db2.gz OAQXMIZOCTWXMN-NRFANRHFSA-N 1 3 372.557 2.530 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000457120243 515666327 /nfs/dbraw/zinc/66/63/27/515666327.db2.gz OAQXMIZOCTWXMN-NRFANRHFSA-N 1 3 372.557 2.530 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1 ZINC000457135051 515678950 /nfs/dbraw/zinc/67/89/50/515678950.db2.gz VWDAOTILZGBTKK-LJQANCHMSA-N 1 3 361.530 2.962 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccco1 ZINC000493910601 515684900 /nfs/dbraw/zinc/68/49/00/515684900.db2.gz AQPMMURGCQOICD-NVXWUHKLSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccco1 ZINC000493910601 515684908 /nfs/dbraw/zinc/68/49/08/515684908.db2.gz AQPMMURGCQOICD-NVXWUHKLSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c2ccsc2S1 ZINC000482550083 515716485 /nfs/dbraw/zinc/71/64/85/515716485.db2.gz JFBWJQFMZIRCBI-GUTXKFCHSA-N 1 3 353.557 2.851 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)[C@H](C)C1 ZINC000482647812 515750802 /nfs/dbraw/zinc/75/08/02/515750802.db2.gz CENJCYAOEJBALZ-QUCCMNQESA-N 1 3 369.594 2.602 20 0 FFADHO C[N@H+]1CCC[C@H](CCNCc2cc3c(cc2Br)OCO3)C1 ZINC000459721800 515770395 /nfs/dbraw/zinc/77/03/95/515770395.db2.gz AYLMTJOSJBUKIT-GFCCVEGCSA-N 1 3 355.276 2.999 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNCc2cc3c(cc2Br)OCO3)C1 ZINC000459721800 515770389 /nfs/dbraw/zinc/77/03/89/515770389.db2.gz AYLMTJOSJBUKIT-GFCCVEGCSA-N 1 3 355.276 2.999 20 0 FFADHO CCC1(CNC(=O)N[C@@H](C)CN(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000500590158 515782446 /nfs/dbraw/zinc/78/24/46/515782446.db2.gz JGEIZWVXGCBKFP-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000457370226 515831792 /nfs/dbraw/zinc/83/17/92/515831792.db2.gz DJZDKJCNKIFAKP-UXHICEINSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000457370226 515831803 /nfs/dbraw/zinc/83/18/03/515831803.db2.gz DJZDKJCNKIFAKP-UXHICEINSA-N 1 3 358.530 2.948 20 0 FFADHO Cc1nccn1CCN(C)[C@H]1CCCC[C@@H]1[N@H+](C)CCn1ccnc1C ZINC000464477481 515841883 /nfs/dbraw/zinc/84/18/83/515841883.db2.gz APXAIZCIKDHHEZ-PMACEKPBSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCN(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCn1ccnc1C ZINC000464477481 515841889 /nfs/dbraw/zinc/84/18/89/515841889.db2.gz APXAIZCIKDHHEZ-PMACEKPBSA-N 1 3 358.534 2.571 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1=CCN(C)CC1 ZINC000511283867 515852888 /nfs/dbraw/zinc/85/28/88/515852888.db2.gz BTEVOUHBVGYBHK-FXAWDEMLSA-N 1 3 362.562 2.981 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1=CCN(C)CC1 ZINC000511283867 515852898 /nfs/dbraw/zinc/85/28/98/515852898.db2.gz BTEVOUHBVGYBHK-FXAWDEMLSA-N 1 3 362.562 2.981 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1=CCN(C)CC1 ZINC000511283870 515852991 /nfs/dbraw/zinc/85/29/91/515852991.db2.gz BTEVOUHBVGYBHK-PXNSSMCTSA-N 1 3 362.562 2.981 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1=CCN(C)CC1 ZINC000511283870 515853001 /nfs/dbraw/zinc/85/30/01/515853001.db2.gz BTEVOUHBVGYBHK-PXNSSMCTSA-N 1 3 362.562 2.981 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000487530011 515893126 /nfs/dbraw/zinc/89/31/26/515893126.db2.gz ANMIMBLJYPURTI-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000487530011 515893137 /nfs/dbraw/zinc/89/31/37/515893137.db2.gz ANMIMBLJYPURTI-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000487535752 515895331 /nfs/dbraw/zinc/89/53/31/515895331.db2.gz JCINWDBRGMABEU-MMKMLUHNSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000487535752 515895340 /nfs/dbraw/zinc/89/53/40/515895340.db2.gz JCINWDBRGMABEU-MMKMLUHNSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000487533543 515896275 /nfs/dbraw/zinc/89/62/75/515896275.db2.gz GUCVJMJAHYEQDX-XLIONFOSSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000487533543 515896284 /nfs/dbraw/zinc/89/62/84/515896284.db2.gz GUCVJMJAHYEQDX-XLIONFOSSA-N 1 3 358.530 2.805 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](CC)[C@H](C)C3)cc2)CC1 ZINC000469685545 515918791 /nfs/dbraw/zinc/91/87/91/515918791.db2.gz XBGDBNYLUGJFLB-WIYYLYMNSA-N 1 3 372.557 2.773 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)[C@H](C)C3)cc2)CC1 ZINC000469685545 515918798 /nfs/dbraw/zinc/91/87/98/515918798.db2.gz XBGDBNYLUGJFLB-WIYYLYMNSA-N 1 3 372.557 2.773 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)C2)C1 ZINC000457501039 515922112 /nfs/dbraw/zinc/92/21/12/515922112.db2.gz OMRDXTSTOLEKCW-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO CN(C)[C@]1(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCSC1 ZINC000483149347 515953233 /nfs/dbraw/zinc/95/32/33/515953233.db2.gz DEQCFGQMCBWHKW-IBGZPJMESA-N 1 3 370.607 2.768 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N1CCc2ccccc2C1 ZINC000487829830 515995834 /nfs/dbraw/zinc/99/58/34/515995834.db2.gz BIXMINCDVUWSNF-UNMCSNQZSA-N 1 3 370.541 2.561 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N1CCc2ccccc2C1 ZINC000487829830 515995845 /nfs/dbraw/zinc/99/58/45/515995845.db2.gz BIXMINCDVUWSNF-UNMCSNQZSA-N 1 3 370.541 2.561 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)CC(C)C ZINC000457618456 516013708 /nfs/dbraw/zinc/01/37/08/516013708.db2.gz OBGLWWGMZYSOLX-QUCCMNQESA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000455183088 516019033 /nfs/dbraw/zinc/01/90/33/516019033.db2.gz DSFZYRNDKRTPIE-PMACEKPBSA-N 1 3 364.578 2.870 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000470012769 516080469 /nfs/dbraw/zinc/08/04/69/516080469.db2.gz JVAIGEKDMRJGMP-KRWDZBQOSA-N 1 3 354.454 2.769 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1 ZINC000479185656 516095685 /nfs/dbraw/zinc/09/56/85/516095685.db2.gz LDQSNKZREVCATK-IAGOWNOFSA-N 1 3 361.486 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)N(C)C)cc1 ZINC000479185750 516095810 /nfs/dbraw/zinc/09/58/10/516095810.db2.gz INVTXMCXTOWZMA-PMACEKPBSA-N 1 3 357.473 2.850 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000479190553 516099520 /nfs/dbraw/zinc/09/95/20/516099520.db2.gz SFJNAYHHKAGHPQ-HLIPFELVSA-N 1 3 361.505 2.981 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000479190553 516099528 /nfs/dbraw/zinc/09/95/28/516099528.db2.gz SFJNAYHHKAGHPQ-HLIPFELVSA-N 1 3 361.505 2.981 20 0 FFADHO NC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000479228727 516116848 /nfs/dbraw/zinc/11/68/48/516116848.db2.gz WJIJBTCQBXTXHY-NQIIRXRSSA-N 1 3 369.484 2.549 20 0 FFADHO NC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000479228727 516116855 /nfs/dbraw/zinc/11/68/55/516116855.db2.gz WJIJBTCQBXTXHY-NQIIRXRSSA-N 1 3 369.484 2.549 20 0 FFADHO CCN1CCC(N(C)C(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000495338182 516140297 /nfs/dbraw/zinc/14/02/97/516140297.db2.gz UXKXPSKJJAPRDB-UHFFFAOYSA-N 1 3 361.530 2.964 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000501534260 516145848 /nfs/dbraw/zinc/14/58/48/516145848.db2.gz LGMQVKQQMMFDFX-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000501534260 516145855 /nfs/dbraw/zinc/14/58/55/516145855.db2.gz LGMQVKQQMMFDFX-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000465414177 516146743 /nfs/dbraw/zinc/14/67/43/516146743.db2.gz VIFFFQBLVKJRJT-SFHVURJKSA-N 1 3 352.567 2.728 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000465414177 516146751 /nfs/dbraw/zinc/14/67/51/516146751.db2.gz VIFFFQBLVKJRJT-SFHVURJKSA-N 1 3 352.567 2.728 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000465431093 516151677 /nfs/dbraw/zinc/15/16/77/516151677.db2.gz RRXQWQWREJJAGI-WOJBJXKFSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000465431093 516151685 /nfs/dbraw/zinc/15/16/85/516151685.db2.gz RRXQWQWREJJAGI-WOJBJXKFSA-N 1 3 360.546 2.533 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483720810 516188260 /nfs/dbraw/zinc/18/82/60/516188260.db2.gz KQUJVRGMHSFMAU-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483720810 516188270 /nfs/dbraw/zinc/18/82/70/516188270.db2.gz KQUJVRGMHSFMAU-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CO[C@H]1CCCC[C@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000483730086 516192207 /nfs/dbraw/zinc/19/22/07/516192207.db2.gz PPXVDIBRCPHROG-RTWAWAEBSA-N 1 3 373.541 2.623 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000507381559 516195669 /nfs/dbraw/zinc/19/56/69/516195669.db2.gz OAVSVPJRLIVSKX-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000507381559 516195676 /nfs/dbraw/zinc/19/56/76/516195676.db2.gz OAVSVPJRLIVSKX-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000507382446 516196108 /nfs/dbraw/zinc/19/61/08/516196108.db2.gz QNRSPHCYMXMRFK-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000507382446 516196120 /nfs/dbraw/zinc/19/61/20/516196120.db2.gz QNRSPHCYMXMRFK-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000465687764 516230470 /nfs/dbraw/zinc/23/04/70/516230470.db2.gz HYRUHQJBRPYNQF-LJQANCHMSA-N 1 3 358.530 2.607 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000465687764 516230473 /nfs/dbraw/zinc/23/04/73/516230473.db2.gz HYRUHQJBRPYNQF-LJQANCHMSA-N 1 3 358.530 2.607 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000470392518 516231929 /nfs/dbraw/zinc/23/19/29/516231929.db2.gz GATWBZINZDVMPY-UHFFFAOYSA-N 1 3 364.538 2.654 20 0 FFADHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512314665 516236472 /nfs/dbraw/zinc/23/64/72/516236472.db2.gz OBFUWLJARDYNMO-WMZOPIPTSA-N 1 3 367.484 2.990 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000501862021 516245827 /nfs/dbraw/zinc/24/58/27/516245827.db2.gz KIPPTUWUVPNSFN-ICSRJNTNSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N1CCC(C)CC1 ZINC000488540945 516254148 /nfs/dbraw/zinc/25/41/48/516254148.db2.gz WNBLBVZAGZNKKN-QZTJIDSGSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N1CCC(C)CC1 ZINC000488540945 516254155 /nfs/dbraw/zinc/25/41/55/516254155.db2.gz WNBLBVZAGZNKKN-QZTJIDSGSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000465781666 516255974 /nfs/dbraw/zinc/25/59/74/516255974.db2.gz ISQRAZYFXHBXLU-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000465781666 516255977 /nfs/dbraw/zinc/25/59/77/516255977.db2.gz ISQRAZYFXHBXLU-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccc(C)c1 ZINC000465783602 516257298 /nfs/dbraw/zinc/25/72/98/516257298.db2.gz ONZMFZWCYKQPQI-FQEVSTJZSA-N 1 3 360.546 2.595 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccc(C)c1 ZINC000465783602 516257304 /nfs/dbraw/zinc/25/73/04/516257304.db2.gz ONZMFZWCYKQPQI-FQEVSTJZSA-N 1 3 360.546 2.595 20 0 FFADHO Cc1noc(C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)c2ccccc2)n1 ZINC000501940272 516270007 /nfs/dbraw/zinc/27/00/07/516270007.db2.gz YBBBYKQLEZAZDQ-FQEVSTJZSA-N 1 3 371.529 2.668 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000512414926 516270843 /nfs/dbraw/zinc/27/08/43/516270843.db2.gz JRDALUAHCAPGAX-AWEZNQCLSA-N 1 3 374.451 2.729 20 0 FFADHO CCCCOc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000484161101 516307218 /nfs/dbraw/zinc/30/72/18/516307218.db2.gz NLNHWVIWESOJEN-INIZCTEOSA-N 1 3 350.503 2.981 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000461030810 516307503 /nfs/dbraw/zinc/30/75/03/516307503.db2.gz VOHXYFJFZDZVDK-AEFFLSMTSA-N 1 3 367.484 2.989 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000461030810 516307507 /nfs/dbraw/zinc/30/75/07/516307507.db2.gz VOHXYFJFZDZVDK-AEFFLSMTSA-N 1 3 367.484 2.989 20 0 FFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000497552489 516326101 /nfs/dbraw/zinc/32/61/01/516326101.db2.gz CHYXUZJLRWWNKJ-FQEVSTJZSA-N 1 3 373.541 2.646 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Br)cn2)C[C@H](C)O1 ZINC000531199430 516344316 /nfs/dbraw/zinc/34/43/16/516344316.db2.gz KVEWEIOOUAYPLN-OKILXGFUSA-N 1 3 356.308 2.823 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561041481 516346312 /nfs/dbraw/zinc/34/63/12/516346312.db2.gz BFLLBLVLMKFHSI-VXKWHMMOSA-N 1 3 363.505 2.899 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561041481 516346318 /nfs/dbraw/zinc/34/63/18/516346318.db2.gz BFLLBLVLMKFHSI-VXKWHMMOSA-N 1 3 363.505 2.899 20 0 FFADHO C[C@@]1(CNC(=O)Nc2ncccc2CN)CCC[N@@H+]1Cc1ccccc1 ZINC000561056149 516354459 /nfs/dbraw/zinc/35/44/59/516354459.db2.gz BEAUCJOKVMUHLE-FQEVSTJZSA-N 1 3 353.470 2.717 20 0 FFADHO C[C@@]1(CNC(=O)Nc2ncccc2CN)CCC[N@H+]1Cc1ccccc1 ZINC000561056149 516354466 /nfs/dbraw/zinc/35/44/66/516354466.db2.gz BEAUCJOKVMUHLE-FQEVSTJZSA-N 1 3 353.470 2.717 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557643105 516354680 /nfs/dbraw/zinc/35/46/80/516354680.db2.gz DUICOSIILWMMMU-IFMALSPDSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557643105 516354690 /nfs/dbraw/zinc/35/46/90/516354690.db2.gz DUICOSIILWMMMU-IFMALSPDSA-N 1 3 355.526 2.985 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543714258 516385000 /nfs/dbraw/zinc/38/50/00/516385000.db2.gz LGDCMWWYVCIMRB-UHFFFAOYSA-N 1 3 358.461 2.637 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4oc(=O)[nH]c4c3)CC2)CC1 ZINC000561113100 516386670 /nfs/dbraw/zinc/38/66/70/516386670.db2.gz IMKAKIQBIPXINA-UHFFFAOYSA-N 1 3 372.469 2.668 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)s1 ZINC000517631749 516389576 /nfs/dbraw/zinc/38/95/76/516389576.db2.gz RKPPCCDCYVFPBG-QGZVFWFLSA-N 1 3 351.560 2.864 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)s1 ZINC000517631749 516389583 /nfs/dbraw/zinc/38/95/83/516389583.db2.gz RKPPCCDCYVFPBG-QGZVFWFLSA-N 1 3 351.560 2.864 20 0 FFADHO CC[C@H](C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)N(CC)CC ZINC000531292818 516391516 /nfs/dbraw/zinc/39/15/16/516391516.db2.gz TVKXEXFEVFTEFN-GOSISDBHSA-N 1 3 353.551 2.647 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000561151813 516411392 /nfs/dbraw/zinc/41/13/92/516411392.db2.gz WZTVPIDUOWPIFO-JKSUJKDBSA-N 1 3 364.559 2.729 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000543762997 516416954 /nfs/dbraw/zinc/41/69/54/516416954.db2.gz STPVMEDZZZXRQC-RYFAJOAYSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000543762997 516416961 /nfs/dbraw/zinc/41/69/61/516416961.db2.gz STPVMEDZZZXRQC-RYFAJOAYSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000543762997 516416968 /nfs/dbraw/zinc/41/69/68/516416968.db2.gz STPVMEDZZZXRQC-RYFAJOAYSA-N 1 3 357.542 2.597 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000561196271 516443701 /nfs/dbraw/zinc/44/37/01/516443701.db2.gz QMBJBVSOQZBIGE-YLJYHZDGSA-N 1 3 372.557 2.840 20 0 FFADHO CC[C@@H](Cn1cncn1)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000550887004 516468610 /nfs/dbraw/zinc/46/86/10/516468610.db2.gz VILOBSRMSWTWJH-FQEVSTJZSA-N 1 3 370.545 2.557 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000523533784 516498936 /nfs/dbraw/zinc/49/89/36/516498936.db2.gz NAELJLSSAVXDEV-UYAOXDASSA-N 1 3 360.546 2.881 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000523533784 516498946 /nfs/dbraw/zinc/49/89/46/516498946.db2.gz NAELJLSSAVXDEV-UYAOXDASSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCN1C ZINC000557923623 516507024 /nfs/dbraw/zinc/50/70/24/516507024.db2.gz SJUAKCXLKMOVGO-CBQOVEMMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCN1C ZINC000557923623 516507031 /nfs/dbraw/zinc/50/70/31/516507031.db2.gz SJUAKCXLKMOVGO-CBQOVEMMSA-N 1 3 370.541 2.777 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000554583852 516522995 /nfs/dbraw/zinc/52/29/95/516522995.db2.gz QJEKWUODSVPICD-UHFFFAOYSA-N 1 3 360.546 2.928 20 0 FFADHO CCCN1CCC([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)CC1 ZINC000543992835 516528409 /nfs/dbraw/zinc/52/84/09/516528409.db2.gz QTGZJJXRBIGXLP-UHFFFAOYSA-N 1 3 368.518 2.502 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000547801499 516571829 /nfs/dbraw/zinc/57/18/29/516571829.db2.gz PMTXGZNIYQRYSZ-TZIWHRDSSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000547801499 516571831 /nfs/dbraw/zinc/57/18/31/516571831.db2.gz PMTXGZNIYQRYSZ-TZIWHRDSSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000531685062 516595784 /nfs/dbraw/zinc/59/57/84/516595784.db2.gz TXIANDZNPOMJKU-UNMCSNQZSA-N 1 3 358.574 2.514 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN3CCC2CC3)CC1 ZINC000551271259 516635586 /nfs/dbraw/zinc/63/55/86/516635586.db2.gz MWQAZEXQJUILSE-UHFFFAOYSA-N 1 3 370.541 2.908 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1 ZINC000513476758 516640801 /nfs/dbraw/zinc/64/08/01/516640801.db2.gz VRFVPXSFQAPOJJ-UHFFFAOYSA-N 1 3 361.530 2.711 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)N(C)C)cc1 ZINC000561539635 516641942 /nfs/dbraw/zinc/64/19/42/516641942.db2.gz JAHQGEBFFFQEDM-RLLQIKCJSA-N 1 3 358.530 2.866 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000518562188 516706901 /nfs/dbraw/zinc/70/69/01/516706901.db2.gz BIGDDZSGTCIXLK-MJBXVCDLSA-N 1 3 359.283 2.599 20 0 FFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000518562188 516706909 /nfs/dbraw/zinc/70/69/09/516706909.db2.gz BIGDDZSGTCIXLK-MJBXVCDLSA-N 1 3 359.283 2.599 20 0 FFADHO CN1CCN([C@H](CNC2CC[NH+](CC3CC3)CC2)c2cccs2)CC1 ZINC000531932453 516721876 /nfs/dbraw/zinc/72/18/76/516721876.db2.gz HMRRHINOETWYHH-LJQANCHMSA-N 1 3 362.587 2.501 20 0 FFADHO CCCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000518619237 516725467 /nfs/dbraw/zinc/72/54/67/516725467.db2.gz MJVVLLAXQZTNRP-UHFFFAOYSA-N 1 3 363.546 2.942 20 0 FFADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCC(=O)Nc3ccccc32)ccn1 ZINC000544381268 516733178 /nfs/dbraw/zinc/73/31/78/516733178.db2.gz XTDBKQNIBGZDRS-QGZVFWFLSA-N 1 3 354.454 2.585 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524474186 516733405 /nfs/dbraw/zinc/73/34/05/516733405.db2.gz IROAYZKFGDULAJ-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524474186 516733412 /nfs/dbraw/zinc/73/34/12/516733412.db2.gz IROAYZKFGDULAJ-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000518712381 516749946 /nfs/dbraw/zinc/74/99/46/516749946.db2.gz QGEAUFKVPLSLQP-ZWKOTPCHSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000518712381 516749954 /nfs/dbraw/zinc/74/99/54/516749954.db2.gz QGEAUFKVPLSLQP-ZWKOTPCHSA-N 1 3 373.545 2.638 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000551566310 516763842 /nfs/dbraw/zinc/76/38/42/516763842.db2.gz JQMHMEJMPHRBDO-PFAUGDHASA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000551566310 516763848 /nfs/dbraw/zinc/76/38/48/516763848.db2.gz JQMHMEJMPHRBDO-PFAUGDHASA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000551566310 516763856 /nfs/dbraw/zinc/76/38/56/516763856.db2.gz JQMHMEJMPHRBDO-PFAUGDHASA-N 1 3 360.542 2.645 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000544624115 516841211 /nfs/dbraw/zinc/84/12/11/516841211.db2.gz WVBKJTKUJCLSCT-QFBILLFUSA-N 1 3 352.567 2.869 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000524932376 516871170 /nfs/dbraw/zinc/87/11/70/516871170.db2.gz ZWELWYDVLAIHSU-UHFFFAOYSA-N 1 3 368.953 2.752 20 0 FFADHO Cc1cccc(C2(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCCC2)c1 ZINC000524931865 516872306 /nfs/dbraw/zinc/87/23/06/516872306.db2.gz KHPBSBUNDZIQOY-UHFFFAOYSA-N 1 3 374.573 2.942 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000555335853 516886677 /nfs/dbraw/zinc/88/66/77/516886677.db2.gz GLRVENFFOGEURX-IBGZPJMESA-N 1 3 371.529 2.817 20 0 FFADHO C[C@@](O)(CNCCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000519141412 516899979 /nfs/dbraw/zinc/89/99/79/516899979.db2.gz FRBLEDICDGTHPN-QGZVFWFLSA-N 1 3 360.420 2.607 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000514240366 516920209 /nfs/dbraw/zinc/92/02/09/516920209.db2.gz AXSLZSOWBIKEAW-KURKYZTESA-N 1 3 352.567 2.917 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000548388267 516950978 /nfs/dbraw/zinc/95/09/78/516950978.db2.gz CGWCWLZODOFFTP-UHFFFAOYSA-N 1 3 361.530 2.898 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000548388267 516950987 /nfs/dbraw/zinc/95/09/87/516950987.db2.gz CGWCWLZODOFFTP-UHFFFAOYSA-N 1 3 361.530 2.898 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532504138 517009177 /nfs/dbraw/zinc/00/91/77/517009177.db2.gz CUJGRNSUIYFTKN-CVEARBPZSA-N 1 3 357.498 2.723 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529299830 517062283 /nfs/dbraw/zinc/06/22/83/517062283.db2.gz NZPLFQCIICEOMZ-QGZVFWFLSA-N 1 3 362.543 2.544 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1cccs1 ZINC000529312486 517071875 /nfs/dbraw/zinc/07/18/75/517071875.db2.gz CGPXORTWWRKWJD-OIISXLGYSA-N 1 3 362.543 2.715 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000537213520 517092011 /nfs/dbraw/zinc/09/20/11/517092011.db2.gz CEGXJYHJRJQXNW-GOSISDBHSA-N 1 3 371.447 2.851 20 0 FFADHO CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000529359694 517100370 /nfs/dbraw/zinc/10/03/70/517100370.db2.gz MRVQEXGRKAOAPE-MOPGFXCFSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@H](C)CN1 ZINC000529387879 517119188 /nfs/dbraw/zinc/11/91/88/517119188.db2.gz QIYBWGRXOLOAJY-XHBSWPGZSA-N 1 3 373.328 2.988 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000529387879 517119196 /nfs/dbraw/zinc/11/91/96/517119196.db2.gz QIYBWGRXOLOAJY-XHBSWPGZSA-N 1 3 373.328 2.988 20 0 FFADHO COc1cccc2cc([C@@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)oc21 ZINC000537293669 517130885 /nfs/dbraw/zinc/13/08/85/517130885.db2.gz ZXXHLVKWIKQLOG-ZBFHGGJFSA-N 1 3 359.470 2.679 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000519701204 517135275 /nfs/dbraw/zinc/13/52/75/517135275.db2.gz FSLCKGBKCNCLGC-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000519701204 517135284 /nfs/dbraw/zinc/13/52/84/517135284.db2.gz FSLCKGBKCNCLGC-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000519701204 517135292 /nfs/dbraw/zinc/13/52/92/517135292.db2.gz FSLCKGBKCNCLGC-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc4cncn4c3)cc2)CC1 ZINC000555817115 517138293 /nfs/dbraw/zinc/13/82/93/517138293.db2.gz AAZKMUZMYIFXLW-UHFFFAOYSA-N 1 3 363.465 2.724 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000514962077 517144674 /nfs/dbraw/zinc/14/46/74/517144674.db2.gz AGWWXWDUOSPWJL-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000552251413 517162370 /nfs/dbraw/zinc/16/23/70/517162370.db2.gz WGWJFLJIIVDKCX-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000552251413 517162380 /nfs/dbraw/zinc/16/23/80/517162380.db2.gz WGWJFLJIIVDKCX-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000552251413 517162386 /nfs/dbraw/zinc/16/23/86/517162386.db2.gz WGWJFLJIIVDKCX-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1ccccc1 ZINC000545340346 517184799 /nfs/dbraw/zinc/18/47/99/517184799.db2.gz IVMUNOPVIUPJBG-ICSRJNTNSA-N 1 3 360.546 2.848 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1ccccc1 ZINC000545340346 517184807 /nfs/dbraw/zinc/18/48/07/517184807.db2.gz IVMUNOPVIUPJBG-ICSRJNTNSA-N 1 3 360.546 2.848 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000541786794 517217233 /nfs/dbraw/zinc/21/72/33/517217233.db2.gz HKUNFUHOTRACMJ-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000541786794 517217239 /nfs/dbraw/zinc/21/72/39/517217239.db2.gz HKUNFUHOTRACMJ-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO CN(CCC(=O)NCC1CCN(Cc2cccs2)CC1)c1cc[nH+]cc1 ZINC000541858383 517255086 /nfs/dbraw/zinc/25/50/86/517255086.db2.gz GNHGXBFAHFVPEN-UHFFFAOYSA-N 1 3 372.538 2.998 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000515299468 517286835 /nfs/dbraw/zinc/28/68/35/517286835.db2.gz IGJHHXLUYUIVTQ-KRWDZBQOSA-N 1 3 353.551 2.550 20 0 FFADHO CN1CCC2(CC1)C[C@H](NC(=O)CCCC[NH+](C)C)c1ccccc1O2 ZINC000552553204 517304591 /nfs/dbraw/zinc/30/45/91/517304591.db2.gz GDTKCCUEAGWPIL-SFHVURJKSA-N 1 3 359.514 2.823 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000515342309 517307302 /nfs/dbraw/zinc/30/73/02/517307302.db2.gz VHBHRSSDJLIYFB-RBUKOAKNSA-N 1 3 358.530 2.810 20 0 FFADHO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000520231136 517310964 /nfs/dbraw/zinc/31/09/64/517310964.db2.gz DWWCZSJSQDQOIH-HJNYFJLDSA-N 1 3 354.494 2.633 20 0 FFADHO COc1cccc(C[C@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000520231136 517310972 /nfs/dbraw/zinc/31/09/72/517310972.db2.gz DWWCZSJSQDQOIH-HJNYFJLDSA-N 1 3 354.494 2.633 20 0 FFADHO COc1cccc(C[C@H]2CCCN2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000520231136 517310982 /nfs/dbraw/zinc/31/09/82/517310982.db2.gz DWWCZSJSQDQOIH-HJNYFJLDSA-N 1 3 354.494 2.633 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000537772452 517336677 /nfs/dbraw/zinc/33/66/77/517336677.db2.gz UYBRUMIWOUDJOR-GOSISDBHSA-N 1 3 371.529 2.566 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000537778470 517341040 /nfs/dbraw/zinc/34/10/40/517341040.db2.gz MJKDHPJATORIGE-HKUYNNGSSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000537778470 517341051 /nfs/dbraw/zinc/34/10/51/517341051.db2.gz MJKDHPJATORIGE-HKUYNNGSSA-N 1 3 373.545 2.812 20 0 FFADHO CCc1nncn1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000562778009 517388703 /nfs/dbraw/zinc/38/87/03/517388703.db2.gz FUEYYZAGLGNULE-ZCNNSNEGSA-N 1 3 353.514 2.873 20 0 FFADHO CCc1nncn1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000562778009 517388707 /nfs/dbraw/zinc/38/87/07/517388707.db2.gz FUEYYZAGLGNULE-ZCNNSNEGSA-N 1 3 353.514 2.873 20 0 FFADHO COc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccn1 ZINC000520482887 517408586 /nfs/dbraw/zinc/40/85/86/517408586.db2.gz KWBRKJNZLFWYLH-INIZCTEOSA-N 1 3 355.482 2.898 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545907426 517428232 /nfs/dbraw/zinc/42/82/32/517428232.db2.gz ISJLATLEBCXOND-YLJYHZDGSA-N 1 3 352.482 2.545 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000530030796 517511862 /nfs/dbraw/zinc/51/18/62/517511862.db2.gz WGTAYEVBXMHCTN-HXUWFJFHSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000530030796 517511873 /nfs/dbraw/zinc/51/18/73/517511873.db2.gz WGTAYEVBXMHCTN-HXUWFJFHSA-N 1 3 350.466 2.994 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000530030307 517514409 /nfs/dbraw/zinc/51/44/09/517514409.db2.gz SHSPSSGUTQRPPF-LJQANCHMSA-N 1 3 356.514 2.740 20 0 FFADHO C[C@@H](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542379242 517530709 /nfs/dbraw/zinc/53/07/09/517530709.db2.gz VWLKVRNIQQYNJY-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553145141 517542416 /nfs/dbraw/zinc/54/24/16/517542416.db2.gz BMNWGWOBMIGOBB-VQTJNVASSA-N 1 3 373.566 2.595 20 0 FFADHO C[C@H](CNC(=O)NC(C)(C)CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000533617334 517547297 /nfs/dbraw/zinc/54/72/97/517547297.db2.gz PTEPHZIPWSDRKU-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H](C)C[NH+]3CCCCC3)c2cc1C ZINC000562985371 517557660 /nfs/dbraw/zinc/55/76/60/517557660.db2.gz RFRNXCMXJMBXDU-APWZRJJASA-N 1 3 358.530 2.726 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@@H](C)CN3CCCCC3)c2cc1C ZINC000562985371 517557664 /nfs/dbraw/zinc/55/76/64/517557664.db2.gz RFRNXCMXJMBXDU-APWZRJJASA-N 1 3 358.530 2.726 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(OC)c1 ZINC000562989636 517561783 /nfs/dbraw/zinc/56/17/83/517561783.db2.gz OUKCUYVBKIOGKT-SNBWLZMPSA-N 1 3 362.514 2.930 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3cccnc3)C3CC3)CC2)CC1 ZINC000553255005 517604011 /nfs/dbraw/zinc/60/40/11/517604011.db2.gz ZHZMSDUNZPWFFA-UHFFFAOYSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000556748681 517626642 /nfs/dbraw/zinc/62/66/42/517626642.db2.gz SABNLXKLVNZORI-QGZVFWFLSA-N 1 3 373.545 2.781 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)CCC=C4)CC2)CC1 ZINC000560231968 517648502 /nfs/dbraw/zinc/64/85/02/517648502.db2.gz YPHKDYVIJQUAEI-UHFFFAOYSA-N 1 3 353.510 2.934 20 0 FFADHO COc1cc2c(c(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000530248458 517654523 /nfs/dbraw/zinc/65/45/23/517654523.db2.gz KUJUJVPNHVPAIG-KXBFYZLASA-N 1 3 360.498 2.609 20 0 FFADHO COc1cc2c(cc1CN1CCC(CO[C@@H]3CC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000530249621 517656773 /nfs/dbraw/zinc/65/67/73/517656773.db2.gz WQWKKFYRCQALSR-HNAYVOBHSA-N 1 3 360.498 2.609 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCc2cc(F)ccc21 ZINC000538589991 517682326 /nfs/dbraw/zinc/68/23/26/517682326.db2.gz VEZLVOHOKDYESO-RTWAWAEBSA-N 1 3 369.484 2.692 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000553396613 517689850 /nfs/dbraw/zinc/68/98/50/517689850.db2.gz AUCRWGLRAJWYKS-RXVVDRJESA-N 1 3 370.541 2.703 20 0 FFADHO CC[C@]1(C)Oc2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2O1 ZINC000527490335 517705969 /nfs/dbraw/zinc/70/59/69/517705969.db2.gz AMYLWTKNWRYCPR-LJQANCHMSA-N 1 3 364.490 2.541 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cn[nH]c1 ZINC000560355777 517727685 /nfs/dbraw/zinc/72/76/85/517727685.db2.gz OVQGOUARNITBHB-XLIONFOSSA-N 1 3 354.498 2.989 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@H]1N1CCN(C)CC1 ZINC000538723046 517749017 /nfs/dbraw/zinc/74/90/17/517749017.db2.gz HXZDLVLVFZNOJM-GHTZIAJQSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@H]1N1CCN(C)CC1 ZINC000538723046 517749023 /nfs/dbraw/zinc/74/90/23/517749023.db2.gz HXZDLVLVFZNOJM-GHTZIAJQSA-N 1 3 357.542 2.933 20 0 FFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000530416428 517762254 /nfs/dbraw/zinc/76/22/54/517762254.db2.gz LDQSVWWSMYMDTM-HXUWFJFHSA-N 1 3 360.546 2.874 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000521695663 517830180 /nfs/dbraw/zinc/83/01/80/517830180.db2.gz BWKJUYZSRQZKNZ-CEXWTWQISA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000521695663 517830190 /nfs/dbraw/zinc/83/01/90/517830190.db2.gz BWKJUYZSRQZKNZ-CEXWTWQISA-N 1 3 350.551 2.624 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000557137796 517874792 /nfs/dbraw/zinc/87/47/92/517874792.db2.gz ODBZESORBDKQDZ-GVDBMIGSSA-N 1 3 364.559 2.777 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000563392707 517875800 /nfs/dbraw/zinc/87/58/00/517875800.db2.gz OVHJUWLURLFBIR-LEWJYISDSA-N 1 3 355.526 2.855 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000560551816 517891689 /nfs/dbraw/zinc/89/16/89/517891689.db2.gz PCQGWHGKLRVTBQ-SJLPKXTDSA-N 1 3 365.468 2.602 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000560551816 517891696 /nfs/dbraw/zinc/89/16/96/517891696.db2.gz PCQGWHGKLRVTBQ-SJLPKXTDSA-N 1 3 365.468 2.602 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccc(I)cc2)C1 ZINC000563424182 517895461 /nfs/dbraw/zinc/89/54/61/517895461.db2.gz JPTJCOYCOJQHQN-OLZOCXBDSA-N 1 3 360.239 2.530 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000557225894 517927275 /nfs/dbraw/zinc/92/72/75/517927275.db2.gz BAEBONOLXKLTSC-TZIWHRDSSA-N 1 3 352.482 2.577 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000557225894 517927286 /nfs/dbraw/zinc/92/72/86/517927286.db2.gz BAEBONOLXKLTSC-TZIWHRDSSA-N 1 3 352.482 2.577 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000530727674 517944770 /nfs/dbraw/zinc/94/47/70/517944770.db2.gz FVCQBUYXZDQLKA-UHFFFAOYSA-N 1 3 358.530 2.939 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000522079234 517978679 /nfs/dbraw/zinc/97/86/79/517978679.db2.gz QBISNVNHZASFJL-TZIWHRDSSA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000522079234 517978687 /nfs/dbraw/zinc/97/86/87/517978687.db2.gz QBISNVNHZASFJL-TZIWHRDSSA-N 1 3 370.541 2.701 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000563561068 517985665 /nfs/dbraw/zinc/98/56/65/517985665.db2.gz NXDBXXLSZMEQBX-DOTOQJQBSA-N 1 3 364.559 2.729 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000563588111 518002094 /nfs/dbraw/zinc/00/20/94/518002094.db2.gz LHYJFKCXNBVTSH-QFUCXCTJSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCC(C)CC1 ZINC000522180333 518018261 /nfs/dbraw/zinc/01/82/61/518018261.db2.gz GSMQUQIKYIJFCU-QUCCMNQESA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000554092708 518057128 /nfs/dbraw/zinc/05/71/28/518057128.db2.gz WTNONLNSABXHAN-JYRKZWEQSA-N 1 3 370.541 2.775 20 0 FFADHO C[NH+](C)CCN(C(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000531049009 518116070 /nfs/dbraw/zinc/11/60/70/518116070.db2.gz ACIPQEVZPIWJBL-UHFFFAOYSA-N 1 3 359.514 2.616 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000539600700 518116693 /nfs/dbraw/zinc/11/66/93/518116693.db2.gz MXIIGXVQMBWASA-HXUWFJFHSA-N 1 3 358.530 2.951 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000531141262 518152183 /nfs/dbraw/zinc/15/21/83/518152183.db2.gz SWTDDQYSAAUODR-QYZOEREBSA-N 1 3 358.530 2.819 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000531141262 518152187 /nfs/dbraw/zinc/15/21/87/518152187.db2.gz SWTDDQYSAAUODR-QYZOEREBSA-N 1 3 358.530 2.819 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCCC1 ZINC000522830376 518167966 /nfs/dbraw/zinc/16/79/66/518167966.db2.gz KPWKFEDCNUPSGJ-ICSRJNTNSA-N 1 3 358.530 2.532 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000522833435 518168109 /nfs/dbraw/zinc/16/81/09/518168109.db2.gz FKNCNEMTUKGUFP-NRFANRHFSA-N 1 3 366.509 2.672 20 0 FFADHO Cc1cnc(CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)nc1 ZINC000535368750 518176924 /nfs/dbraw/zinc/17/69/24/518176924.db2.gz FPQQQDAOYLSHOC-UHFFFAOYSA-N 1 3 353.514 2.648 20 0 FFADHO Cc1cnc(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)nc1 ZINC000535368750 518176926 /nfs/dbraw/zinc/17/69/26/518176926.db2.gz FPQQQDAOYLSHOC-UHFFFAOYSA-N 1 3 353.514 2.648 20 0 FFADHO Cc1cc(NC(=O)CC[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)no1 ZINC000572476867 518211400 /nfs/dbraw/zinc/21/14/00/518211400.db2.gz PBLRIXYFSSUWPJ-LJQANCHMSA-N 1 3 370.497 3.204 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000572476867 518211403 /nfs/dbraw/zinc/21/14/03/518211403.db2.gz PBLRIXYFSSUWPJ-LJQANCHMSA-N 1 3 370.497 3.204 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000572476867 518211409 /nfs/dbraw/zinc/21/14/09/518211409.db2.gz PBLRIXYFSSUWPJ-LJQANCHMSA-N 1 3 370.497 3.204 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000572499483 518221764 /nfs/dbraw/zinc/22/17/64/518221764.db2.gz ASFZKYRJRJCYII-NZSAHSFTSA-N 1 3 358.530 2.584 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000572511685 518226462 /nfs/dbraw/zinc/22/64/62/518226462.db2.gz MEYUITGMQBACRN-XHSDSOJGSA-N 1 3 360.420 2.908 20 0 FFADHO COc1ccc(-c2noc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)c(OC)c1 ZINC000572511110 518227514 /nfs/dbraw/zinc/22/75/14/518227514.db2.gz NSUHEHDMEAKWTM-AWEZNQCLSA-N 1 3 372.469 2.718 20 0 FFADHO NC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000566845172 518228488 /nfs/dbraw/zinc/22/84/88/518228488.db2.gz WGSPSOQWILQQDA-YWZLYKJASA-N 1 3 352.482 2.623 20 0 FFADHO NC[C@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000566845172 518228494 /nfs/dbraw/zinc/22/84/94/518228494.db2.gz WGSPSOQWILQQDA-YWZLYKJASA-N 1 3 352.482 2.623 20 0 FFADHO C[C@H](C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000584226961 518237322 /nfs/dbraw/zinc/23/73/22/518237322.db2.gz YVXWDTSOSBXHOT-GDBMZVCRSA-N 1 3 360.420 2.767 20 0 FFADHO CCCC[NH+]1CCC(NC[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000569715532 518254301 /nfs/dbraw/zinc/25/43/01/518254301.db2.gz NYVUDYQNRVFFCD-IBGZPJMESA-N 1 3 358.530 2.868 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000584281074 518262551 /nfs/dbraw/zinc/26/25/51/518262551.db2.gz BQVRYRLGAPWCHQ-RBUKOAKNSA-N 1 3 358.530 2.511 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566916068 518265080 /nfs/dbraw/zinc/26/50/80/518265080.db2.gz ZDFBCOPNJCTUBL-ZIFCJYIRSA-N 1 3 368.525 2.537 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000572594475 518266101 /nfs/dbraw/zinc/26/61/01/518266101.db2.gz RYZBHINAPNTUOW-OAHLLOKOSA-N 1 3 357.420 2.595 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)CCCC[NH+](C)C)cc1)[C@@H]1CCCN(C)C1 ZINC000581402077 518266396 /nfs/dbraw/zinc/26/63/96/518266396.db2.gz QXQUZGGTBLLTLD-LJQANCHMSA-N 1 3 374.529 2.523 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000575800528 518286624 /nfs/dbraw/zinc/28/66/24/518286624.db2.gz OPYYZJMJAQOJEJ-JYBIWHBTSA-N 1 3 365.562 2.632 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000564074187 518294526 /nfs/dbraw/zinc/29/45/26/518294526.db2.gz ANTIMRGVAJJZHH-FZDIXFNVSA-N 1 3 351.922 2.819 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccc(F)cc1C ZINC000584411583 518329052 /nfs/dbraw/zinc/32/90/52/518329052.db2.gz QHVSQVHGIZRDEA-IJXRJRJASA-N 1 3 361.505 2.501 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccc(F)cc1C ZINC000584411583 518329059 /nfs/dbraw/zinc/32/90/59/518329059.db2.gz QHVSQVHGIZRDEA-IJXRJRJASA-N 1 3 361.505 2.501 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1C ZINC000572763833 518350020 /nfs/dbraw/zinc/35/00/20/518350020.db2.gz CRWHRGQCOSHQKL-OJAHFUOMSA-N 1 3 361.505 2.549 20 0 FFADHO [NH3+]C1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCCCC1 ZINC000569919758 518356276 /nfs/dbraw/zinc/35/62/76/518356276.db2.gz ALGGLUQENLLONT-RBUKOAKNSA-N 1 3 356.514 2.564 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000578850411 518402409 /nfs/dbraw/zinc/40/24/09/518402409.db2.gz VCWUXXDEEJILIL-HXUWFJFHSA-N 1 3 358.530 2.635 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000578850411 518402416 /nfs/dbraw/zinc/40/24/16/518402416.db2.gz VCWUXXDEEJILIL-HXUWFJFHSA-N 1 3 358.530 2.635 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000570056636 518422259 /nfs/dbraw/zinc/42/22/59/518422259.db2.gz VURGPTGTVVUSAZ-OAQYLSRUSA-N 1 3 367.493 2.610 20 0 FFADHO COc1ccccc1-n1nccc1CNCC1(SC)CC[NH+](C)CC1 ZINC000564420180 518444236 /nfs/dbraw/zinc/44/42/36/518444236.db2.gz VMTXCCLXNWFCAL-UHFFFAOYSA-N 1 3 360.527 2.798 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000567290636 518449896 /nfs/dbraw/zinc/44/98/96/518449896.db2.gz LVGXSRKDQKNKAC-IAGOWNOFSA-N 1 3 366.575 2.988 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000567290636 518449902 /nfs/dbraw/zinc/44/99/02/518449902.db2.gz LVGXSRKDQKNKAC-IAGOWNOFSA-N 1 3 366.575 2.988 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[C@H](C)O1 ZINC000570182950 518483959 /nfs/dbraw/zinc/48/39/59/518483959.db2.gz QZHQGUUPGNJHRV-GASCZTMLSA-N 1 3 363.527 2.579 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000584820064 518491052 /nfs/dbraw/zinc/49/10/52/518491052.db2.gz XSMOQYFHGHKZTL-SFHVURJKSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000584820064 518491059 /nfs/dbraw/zinc/49/10/59/518491059.db2.gz XSMOQYFHGHKZTL-SFHVURJKSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)Cc1ccccc1 ZINC000573082314 518499304 /nfs/dbraw/zinc/49/93/04/518499304.db2.gz MMBBLCJUNQSLPJ-AQZFEABFSA-N 1 3 352.478 2.824 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579233966 518585576 /nfs/dbraw/zinc/58/55/76/518585576.db2.gz CJBSEIVVENQUCZ-HZPDHXFCSA-N 1 3 355.482 2.956 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC3([NH3+])CCCCC3)c2)CC1 ZINC000582110253 518591591 /nfs/dbraw/zinc/59/15/91/518591591.db2.gz RQXKBKDAKYINTC-UHFFFAOYSA-N 1 3 359.518 2.612 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000582116316 518596292 /nfs/dbraw/zinc/59/62/92/518596292.db2.gz USVVOOUFSUGFRK-QRVBRYPASA-N 1 3 364.603 2.937 20 0 FFADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000564793570 518617829 /nfs/dbraw/zinc/61/78/29/518617829.db2.gz XOEAOKDRTJVMER-ZWDAVXSWSA-N 1 3 366.461 2.844 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N1CCc2ccccc2C1 ZINC000576512553 518628796 /nfs/dbraw/zinc/62/87/96/518628796.db2.gz BQBFZKRUNVCVMB-YLJYHZDGSA-N 1 3 360.546 2.851 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N1CCc2ccccc2C1 ZINC000576512553 518628799 /nfs/dbraw/zinc/62/87/99/518628799.db2.gz BQBFZKRUNVCVMB-YLJYHZDGSA-N 1 3 360.546 2.851 20 0 FFADHO C[C@H](NC[C@@H](CO)Cc1ccccc1OC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000579461815 518691912 /nfs/dbraw/zinc/69/19/12/518691912.db2.gz XVHYSGXJJVITAC-OFQRWUPVSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000567779426 518707107 /nfs/dbraw/zinc/70/71/07/518707107.db2.gz UPTMNCZUZMOPCU-DYESRHJHSA-N 1 3 366.509 2.709 20 0 FFADHO CNC(=O)[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)Cc1ccc(F)cc1C ZINC000564965179 518718443 /nfs/dbraw/zinc/71/84/43/518718443.db2.gz QAGWKMOCKDNEFY-KRWDZBQOSA-N 1 3 363.521 2.891 20 0 FFADHO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000573551692 518721108 /nfs/dbraw/zinc/72/11/08/518721108.db2.gz KURLYNHFTJUVFC-MOPGFXCFSA-N 1 3 374.573 2.558 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc(C[NH3+])cc1)N(C)C ZINC000567820865 518729218 /nfs/dbraw/zinc/72/92/18/518729218.db2.gz QSMXCCLOEHVWEL-JXFKEZNVSA-N 1 3 354.498 2.944 20 0 FFADHO CN(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000570708840 518741429 /nfs/dbraw/zinc/74/14/29/518741429.db2.gz ZIIAGLCQNUSGPT-WJFTUGDTSA-N 1 3 351.922 2.689 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)CC1 ZINC000570736795 518754161 /nfs/dbraw/zinc/75/41/61/518754161.db2.gz IAPULNNZKYISBN-BHDDXSALSA-N 1 3 367.537 2.637 20 0 FFADHO CN(CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccncc1 ZINC000573634931 518761059 /nfs/dbraw/zinc/76/10/59/518761059.db2.gz VQSPXWTZTGPSIR-UHFFFAOYSA-N 1 3 352.482 2.820 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000576835891 518788309 /nfs/dbraw/zinc/78/83/09/518788309.db2.gz CHIHDKJTVAEGEG-UXHICEINSA-N 1 3 355.526 2.699 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000576835891 518788317 /nfs/dbraw/zinc/78/83/17/518788317.db2.gz CHIHDKJTVAEGEG-UXHICEINSA-N 1 3 355.526 2.699 20 0 FFADHO Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H]4CN(C)CC[C@@H]43)cc2)no1 ZINC000582514394 518789768 /nfs/dbraw/zinc/78/97/68/518789768.db2.gz NEFHBLHQSJZZTH-MJGOQNOKSA-N 1 3 356.470 2.873 20 0 FFADHO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H]4CN(C)CC[C@@H]43)cc2)no1 ZINC000582514394 518789769 /nfs/dbraw/zinc/78/97/69/518789769.db2.gz NEFHBLHQSJZZTH-MJGOQNOKSA-N 1 3 356.470 2.873 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000579690601 518804435 /nfs/dbraw/zinc/80/44/35/518804435.db2.gz GWKUAJBAQFUUFB-HBFSDRIKSA-N 1 3 358.530 2.586 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1Cc1ccccc1 ZINC000576870865 518804461 /nfs/dbraw/zinc/80/44/61/518804461.db2.gz DKWPLMSNZFHPGA-WCCBULMPSA-N 1 3 355.526 2.936 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000579690603 518804665 /nfs/dbraw/zinc/80/46/65/518804665.db2.gz GWKUAJBAQFUUFB-QWFCFKBJSA-N 1 3 358.530 2.586 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000573752406 518817388 /nfs/dbraw/zinc/81/73/88/518817388.db2.gz GYJFMYLDWNHNNC-DFQSSKMNSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000573752406 518817390 /nfs/dbraw/zinc/81/73/90/518817390.db2.gz GYJFMYLDWNHNNC-DFQSSKMNSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000579838201 518880575 /nfs/dbraw/zinc/88/05/75/518880575.db2.gz MKDWFVPFKWHNIX-UGGKCQTMSA-N 1 3 355.526 2.793 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000582728616 518894489 /nfs/dbraw/zinc/89/44/89/518894489.db2.gz XMZLEJLLCMOPEI-HXUWFJFHSA-N 1 3 359.514 2.556 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1CCN(C)CC1 ZINC000571108183 518928449 /nfs/dbraw/zinc/92/84/49/518928449.db2.gz OLLLXTLLRVHGQW-MRXNPFEDSA-N 1 3 368.363 2.997 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(COC)c3)CC2)CC1 ZINC000571151830 518951599 /nfs/dbraw/zinc/95/15/99/518951599.db2.gz GXKGZUOGOUGULI-UHFFFAOYSA-N 1 3 359.514 2.968 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)C1CC1 ZINC000568263594 518954772 /nfs/dbraw/zinc/95/47/72/518954772.db2.gz ZOXHWBKYGGSTNE-NRFANRHFSA-N 1 3 366.509 2.855 20 0 FFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](N)CC(F)F)ccc21 ZINC000571204671 518977499 /nfs/dbraw/zinc/97/74/99/518977499.db2.gz QKGYPLGZLGYFRP-OAHLLOKOSA-N 1 3 352.429 2.904 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C1 ZINC000577279230 519003548 /nfs/dbraw/zinc/00/35/48/519003548.db2.gz FTEYVPGQRGQNMI-RTWAWAEBSA-N 1 3 371.525 2.641 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)Cc2ccc3ccccc3c2)CCCO1 ZINC000580183826 519047648 /nfs/dbraw/zinc/04/76/48/519047648.db2.gz WSZKXRUFGPTCKZ-AVRDEDQJSA-N 1 3 356.510 2.834 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)Cc2ccc3ccccc3c2)CCCO1 ZINC000580183826 519047655 /nfs/dbraw/zinc/04/76/55/519047655.db2.gz WSZKXRUFGPTCKZ-AVRDEDQJSA-N 1 3 356.510 2.834 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)c3ccccn3)CC2)CC1 ZINC000568532008 519088669 /nfs/dbraw/zinc/08/86/69/519088669.db2.gz WMUFLOLKVWMJGP-UHFFFAOYSA-N 1 3 372.557 2.672 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000565733558 519105602 /nfs/dbraw/zinc/10/56/02/519105602.db2.gz GNKPAKJDIYFNEF-QGZVFWFLSA-N 1 3 370.541 2.939 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000565743372 519110014 /nfs/dbraw/zinc/11/00/14/519110014.db2.gz IOCKVLFJJHFYMK-OALUTQOASA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000565743372 519110015 /nfs/dbraw/zinc/11/00/15/519110015.db2.gz IOCKVLFJJHFYMK-OALUTQOASA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1C ZINC000565743372 519110016 /nfs/dbraw/zinc/11/00/16/519110016.db2.gz IOCKVLFJJHFYMK-OALUTQOASA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1C ZINC000565743372 519110019 /nfs/dbraw/zinc/11/00/19/519110019.db2.gz IOCKVLFJJHFYMK-OALUTQOASA-N 1 3 360.498 2.771 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccccc1F ZINC000568620584 519133380 /nfs/dbraw/zinc/13/33/80/519133380.db2.gz GYQRTOPDGSNMJT-LJQANCHMSA-N 1 3 350.478 2.700 20 0 FFADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](N)Cc3ccccc3)c2)CC1 ZINC000577629666 519177745 /nfs/dbraw/zinc/17/77/45/519177745.db2.gz HJYAWNHTXBMREQ-NRFANRHFSA-N 1 3 366.509 2.726 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574493363 519179575 /nfs/dbraw/zinc/17/95/75/519179575.db2.gz FYBKDHVCNHMHLA-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000574493363 519179581 /nfs/dbraw/zinc/17/95/81/519179581.db2.gz FYBKDHVCNHMHLA-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(CNC[C@H](O)COCc1ccccc1Cl)C[NH+]1CCCC1 ZINC000565888681 519182831 /nfs/dbraw/zinc/18/28/31/519182831.db2.gz NZVHFPPLEOSJSK-KRWDZBQOSA-N 1 3 354.922 2.929 20 0 FFADHO CC(C)(C[NH2+]C[C@H](O)COCc1ccccc1Cl)CN1CCCC1 ZINC000565888681 519182838 /nfs/dbraw/zinc/18/28/38/519182838.db2.gz NZVHFPPLEOSJSK-KRWDZBQOSA-N 1 3 354.922 2.929 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000577637605 519183099 /nfs/dbraw/zinc/18/30/99/519183099.db2.gz JVSVJAOJCQRQKK-ROUUACIJSA-N 1 3 365.468 2.602 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000577637605 519183104 /nfs/dbraw/zinc/18/31/04/519183104.db2.gz JVSVJAOJCQRQKK-ROUUACIJSA-N 1 3 365.468 2.602 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000571632765 519191736 /nfs/dbraw/zinc/19/17/36/519191736.db2.gz AOTMPHKETLBMSA-DNVCBOLYSA-N 1 3 373.570 2.550 20 0 FFADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cn2ccccc2n1 ZINC000571775988 519271259 /nfs/dbraw/zinc/27/12/59/519271259.db2.gz NWBCRIFULWZWOV-GOSISDBHSA-N 1 3 355.530 2.935 20 0 FFADHO Cc1cc(C(=O)NC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c(C)o1 ZINC000566074311 519281941 /nfs/dbraw/zinc/28/19/41/519281941.db2.gz RTSBIXIXLAUMCD-UHFFFAOYSA-N 1 3 367.493 2.937 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H]3c3ncc[nH]3)CC2)CC1 ZINC000574701686 519288345 /nfs/dbraw/zinc/28/83/45/519288345.db2.gz IGHSNRBCAHYEMZ-LJQANCHMSA-N 1 3 373.545 2.660 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1cccc2[nH]ccc21 ZINC000566111731 519307883 /nfs/dbraw/zinc/30/78/83/519307883.db2.gz FTQDQJIWVJFIKQ-GOSISDBHSA-N 1 3 357.498 2.904 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)Cc1cccc(Cl)c1 ZINC000580709481 519315549 /nfs/dbraw/zinc/31/55/49/519315549.db2.gz BSWXPPYUSCLZIF-SLFFLAALSA-N 1 3 366.933 2.601 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c3CCO4)CC2)CC1 ZINC000580723673 519324148 /nfs/dbraw/zinc/32/41/48/519324148.db2.gz HEXPQBJATBLISN-UHFFFAOYSA-N 1 3 357.498 2.756 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000571890696 519332892 /nfs/dbraw/zinc/33/28/92/519332892.db2.gz ZNVJJMPMQRURGJ-CTNGQTDRSA-N 1 3 369.513 2.602 20 0 FFADHO CC1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC000583625693 519346778 /nfs/dbraw/zinc/34/67/78/519346778.db2.gz FIXBKVWMJDGJJW-JOCHJYFZSA-N 1 3 355.526 2.891 20 0 FFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000566190780 519362127 /nfs/dbraw/zinc/36/21/27/519362127.db2.gz JCHOBIQEQPAOCI-IAGOWNOFSA-N 1 3 371.447 2.984 20 0 FFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000578006077 519367344 /nfs/dbraw/zinc/36/73/44/519367344.db2.gz QPVHBMLRGWYNSY-CVDCTZTESA-N 1 3 367.537 2.688 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000578011188 519370631 /nfs/dbraw/zinc/37/06/31/519370631.db2.gz WIMBRWHVZIGRLR-HBMCJLEFSA-N 1 3 364.493 2.700 20 0 FFADHO CN(C[C@H](O)C[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)C1CC1 ZINC000572029966 519406698 /nfs/dbraw/zinc/40/66/98/519406698.db2.gz FFHZWGIPWSBYDO-VQIMIIECSA-N 1 3 351.922 2.522 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000583747879 519414207 /nfs/dbraw/zinc/41/42/07/519414207.db2.gz IKNWQLTXCCALFN-INIZCTEOSA-N 1 3 353.304 2.525 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000583747879 519414208 /nfs/dbraw/zinc/41/42/08/519414208.db2.gz IKNWQLTXCCALFN-INIZCTEOSA-N 1 3 353.304 2.525 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000572042794 519414542 /nfs/dbraw/zinc/41/45/42/519414542.db2.gz CROAGJIQIJEFSO-IBGZPJMESA-N 1 3 358.530 2.541 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000590874513 519416363 /nfs/dbraw/zinc/41/63/63/519416363.db2.gz YASURKWWEVKFOO-UHFFFAOYSA-N 1 3 372.557 2.944 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000574975956 519432833 /nfs/dbraw/zinc/43/28/33/519432833.db2.gz SKNVPNHJGBOICT-AHCXZYCDSA-N 1 3 364.921 2.630 20 0 FFADHO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572165011 519475219 /nfs/dbraw/zinc/47/52/19/519475219.db2.gz HCEDFIIGBSVWNM-OAGGEKHMSA-N 1 3 372.538 2.575 20 0 FFADHO CN(C)C1(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)Cc2ccccc2C1 ZINC000581009857 519475580 /nfs/dbraw/zinc/47/55/80/519475580.db2.gz LKJMZVVKPKYKLA-HXUWFJFHSA-N 1 3 351.494 2.682 20 0 FFADHO O=C1[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccccc1C(F)(F)F ZINC000581011493 519477071 /nfs/dbraw/zinc/47/70/71/519477071.db2.gz FADMXAJZUZAQPV-VBQJREDUSA-N 1 3 367.415 2.742 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)C[C@H](C)O1 ZINC000578240393 519494182 /nfs/dbraw/zinc/49/41/82/519494182.db2.gz QJEMPQJIBRGROG-ZIFCJYIRSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000572220071 519501690 /nfs/dbraw/zinc/50/16/90/519501690.db2.gz WXCCLGUVPQYWBV-XLIONFOSSA-N 1 3 373.545 2.731 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000572220071 519501702 /nfs/dbraw/zinc/50/17/02/519501702.db2.gz WXCCLGUVPQYWBV-XLIONFOSSA-N 1 3 373.545 2.731 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2conc2C(C)(C)[NH3+])N2CCCC2)cc1 ZINC000566472716 519511546 /nfs/dbraw/zinc/51/15/46/519511546.db2.gz SDJGIKJFWRTCBY-KRWDZBQOSA-N 1 3 356.470 2.744 20 0 FFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000566507870 519526268 /nfs/dbraw/zinc/52/62/68/519526268.db2.gz CJOQLFCDOCJMNG-FHWLQOOXSA-N 1 3 350.551 2.671 20 0 FFADHO COc1cc2c(c(CNCC3(SC)CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000572269785 519530203 /nfs/dbraw/zinc/53/02/03/519530203.db2.gz OIDTXCJPWHEUOT-AWEZNQCLSA-N 1 3 350.528 2.936 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C12CCCC2 ZINC000584020846 519550584 /nfs/dbraw/zinc/55/05/84/519550584.db2.gz VPFAORCWDMYSTO-XUVXKRRUSA-N 1 3 373.541 2.733 20 0 FFADHO CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H]1n1cccn1 ZINC000575201230 519551129 /nfs/dbraw/zinc/55/11/29/519551129.db2.gz ZSOYSANZLUNNLM-RCOXNQKVSA-N 1 3 372.513 2.893 20 0 FFADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000581178928 519560683 /nfs/dbraw/zinc/56/06/83/519560683.db2.gz HMPKBJDSAQVNEU-DLBZAZTESA-N 1 3 360.502 2.752 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC(CC[NH3+])CC2)CCN1Cc1ccccc1 ZINC000575322814 519588483 /nfs/dbraw/zinc/58/84/83/519588483.db2.gz WGDGZTNEZRNZLN-FXAWDEMLSA-N 1 3 358.530 2.810 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000566646158 519593647 /nfs/dbraw/zinc/59/36/47/519593647.db2.gz CHXHHEACAPWEAO-UHFFFAOYSA-N 1 3 371.529 2.623 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000566646158 519593652 /nfs/dbraw/zinc/59/36/52/519593652.db2.gz CHXHHEACAPWEAO-UHFFFAOYSA-N 1 3 371.529 2.623 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](Cn2cccn2)c2ccccc2)CC[NH2+]CC1 ZINC000591567558 519953262 /nfs/dbraw/zinc/95/32/62/519953262.db2.gz VCSRUFMFQYHXBI-MJGOQNOKSA-N 1 3 370.497 2.535 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000594495234 520001983 /nfs/dbraw/zinc/00/19/83/520001983.db2.gz OLTVYLZJINSXCF-IERDGZPVSA-N 1 3 372.509 2.941 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000608656367 520068994 /nfs/dbraw/zinc/06/89/94/520068994.db2.gz MRUFGQROKDYERE-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000608656367 520068997 /nfs/dbraw/zinc/06/89/97/520068997.db2.gz MRUFGQROKDYERE-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612969817 520246669 /nfs/dbraw/zinc/24/66/69/520246669.db2.gz GZQXZEKKOWQDMC-OALUTQOASA-N 1 3 356.514 2.655 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973360 520249611 /nfs/dbraw/zinc/24/96/11/520249611.db2.gz ZQTVYUDPTBZIHL-APWZRJJASA-N 1 3 356.514 2.653 20 0 FFADHO CCN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000612977275 520252369 /nfs/dbraw/zinc/25/23/69/520252369.db2.gz MHJQXZJKWSDJFY-MISYRCLQSA-N 1 3 370.541 2.996 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc2o1 ZINC000600755850 520450973 /nfs/dbraw/zinc/45/09/73/520450973.db2.gz PSRRBXRPVIKUCG-GOSISDBHSA-N 1 3 372.465 2.810 20 0 FFADHO C[C@H](NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000613375604 520470041 /nfs/dbraw/zinc/47/00/41/520470041.db2.gz ONDUGTKRECTRGX-RXVVDRJESA-N 1 3 355.526 2.708 20 0 FFADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000613375604 520470044 /nfs/dbraw/zinc/47/00/44/520470044.db2.gz ONDUGTKRECTRGX-RXVVDRJESA-N 1 3 355.526 2.708 20 0 FFADHO Cc1ccc(-c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)on2)cc1 ZINC000617504075 520538525 /nfs/dbraw/zinc/53/85/25/520538525.db2.gz GTVXWWSXBKLFFF-INIZCTEOSA-N 1 3 358.486 2.652 20 0 FFADHO Cc1ccc(-c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)on2)cc1 ZINC000617504075 520538531 /nfs/dbraw/zinc/53/85/31/520538531.db2.gz GTVXWWSXBKLFFF-INIZCTEOSA-N 1 3 358.486 2.652 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000617504970 520540394 /nfs/dbraw/zinc/54/03/94/520540394.db2.gz RIQQYEXBUBGVGN-SOUVJXGZSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000617504970 520540398 /nfs/dbraw/zinc/54/03/98/520540398.db2.gz RIQQYEXBUBGVGN-SOUVJXGZSA-N 1 3 351.457 2.743 20 0 FFADHO Cc1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1Cl ZINC000617506186 520542626 /nfs/dbraw/zinc/54/26/26/520542626.db2.gz DZBMKOVTQXRBNE-NSHDSACASA-N 1 3 361.317 2.699 20 0 FFADHO Cc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1Cl ZINC000617506186 520542628 /nfs/dbraw/zinc/54/26/28/520542628.db2.gz DZBMKOVTQXRBNE-NSHDSACASA-N 1 3 361.317 2.699 20 0 FFADHO Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504966 520543661 /nfs/dbraw/zinc/54/36/61/520543661.db2.gz RIKGZLCMIYQYQZ-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504966 520543668 /nfs/dbraw/zinc/54/36/68/520543668.db2.gz RIKGZLCMIYQYQZ-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000617508040 520544604 /nfs/dbraw/zinc/54/46/04/520544604.db2.gz SOXZRTRZTDKURW-NSHDSACASA-N 1 3 356.923 2.885 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000617508040 520544609 /nfs/dbraw/zinc/54/46/09/520544609.db2.gz SOXZRTRZTDKURW-NSHDSACASA-N 1 3 356.923 2.885 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000617507061 520544833 /nfs/dbraw/zinc/54/48/33/520544833.db2.gz GTHOIDFKTLPHKM-NFOMZHRRSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000617507061 520544842 /nfs/dbraw/zinc/54/48/42/520544842.db2.gz GTHOIDFKTLPHKM-NFOMZHRRSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncsc1-c1ccccc1 ZINC000617507311 520545969 /nfs/dbraw/zinc/54/59/69/520545969.db2.gz RGXCKKLKMRQQES-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncsc1-c1ccccc1 ZINC000617507311 520545973 /nfs/dbraw/zinc/54/59/73/520545973.db2.gz RGXCKKLKMRQQES-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000600980773 520571223 /nfs/dbraw/zinc/57/12/23/520571223.db2.gz KSLCMJYJHWVLKL-FQEVSTJZSA-N 1 3 372.557 2.578 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000595650525 520622378 /nfs/dbraw/zinc/62/23/78/520622378.db2.gz ATEHISFOFHHMRG-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000595650525 520622386 /nfs/dbraw/zinc/62/23/86/520622386.db2.gz ATEHISFOFHHMRG-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C ZINC000604752292 520659201 /nfs/dbraw/zinc/65/92/01/520659201.db2.gz DQBIYUBXJDSCIL-RTBURBONSA-N 1 3 360.546 2.776 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000613798484 520680895 /nfs/dbraw/zinc/68/08/95/520680895.db2.gz KJXUXSORTXPEGY-LSDHHAIUSA-N 1 3 374.403 2.713 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000601243990 520705542 /nfs/dbraw/zinc/70/55/42/520705542.db2.gz ZWJRXAPZPYYYCU-FQEVSTJZSA-N 1 3 358.530 2.607 20 0 FFADHO CC(CN1CCC[C@@H](n2ccnc2)C1)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000605574363 520916601 /nfs/dbraw/zinc/91/66/01/520916601.db2.gz OPCLSBZPFASIGH-WOJBJXKFSA-N 1 3 356.518 2.690 20 0 FFADHO CC(CN1CCC[C@@H](n2ccnc2)C1)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000605574363 520916610 /nfs/dbraw/zinc/91/66/10/520916610.db2.gz OPCLSBZPFASIGH-WOJBJXKFSA-N 1 3 356.518 2.690 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606639262 521118012 /nfs/dbraw/zinc/11/80/12/521118012.db2.gz XCFSMSIBFPYOEW-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000606690978 521137513 /nfs/dbraw/zinc/13/75/13/521137513.db2.gz UIYYTRLVAIGAMI-LMNJBCLMSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000606690978 521137523 /nfs/dbraw/zinc/13/75/23/521137523.db2.gz UIYYTRLVAIGAMI-LMNJBCLMSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000606690979 521138892 /nfs/dbraw/zinc/13/88/92/521138892.db2.gz UIYYTRLVAIGAMI-QFUCXCTJSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000606690979 521138898 /nfs/dbraw/zinc/13/88/98/521138898.db2.gz UIYYTRLVAIGAMI-QFUCXCTJSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655929 521194544 /nfs/dbraw/zinc/19/45/44/521194544.db2.gz ZTMFQFGGJONEIK-IUODEOHRSA-N 1 3 358.267 2.811 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccc(I)cc1 ZINC000596655929 521194549 /nfs/dbraw/zinc/19/45/49/521194549.db2.gz ZTMFQFGGJONEIK-IUODEOHRSA-N 1 3 358.267 2.811 20 0 FFADHO COc1cc(CNCCC[N@@H+]2CCCN(C)CC2)c(SC)cc1OC ZINC000607365660 521342924 /nfs/dbraw/zinc/34/29/24/521342924.db2.gz KEKIWYCGPJKQBP-UHFFFAOYSA-N 1 3 367.559 2.543 20 0 FFADHO COc1cc(CNCCC[N@H+]2CCCN(C)CC2)c(SC)cc1OC ZINC000607365660 521342929 /nfs/dbraw/zinc/34/29/29/521342929.db2.gz KEKIWYCGPJKQBP-UHFFFAOYSA-N 1 3 367.559 2.543 20 0 FFADHO COC(=O)c1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)[nH]c1C ZINC000602545602 521403609 /nfs/dbraw/zinc/40/36/09/521403609.db2.gz GTKMZHCYKBCNDD-UHFFFAOYSA-N 1 3 371.481 2.874 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN(C2CC2)C1 ZINC000615447445 521408004 /nfs/dbraw/zinc/40/80/04/521408004.db2.gz JURRDRMCDHWOKQ-NQIIRXRSSA-N 1 3 355.526 2.809 20 0 FFADHO N[C@@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000631834004 521754439 /nfs/dbraw/zinc/75/44/39/521754439.db2.gz NCXQWIYRIPNRHF-CYBMUJFWSA-N 1 3 354.292 2.981 20 0 FFADHO N[C@@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000631834004 521754444 /nfs/dbraw/zinc/75/44/44/521754444.db2.gz NCXQWIYRIPNRHF-CYBMUJFWSA-N 1 3 354.292 2.981 20 0 FFADHO CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccccc1 ZINC000625944569 521800636 /nfs/dbraw/zinc/80/06/36/521800636.db2.gz ZGADOQWEIUDXEM-SFHVURJKSA-N 1 3 354.454 2.593 20 0 FFADHO COc1cc(F)c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1OC ZINC000635010355 521864690 /nfs/dbraw/zinc/86/46/90/521864690.db2.gz SJGQXAZPNQTWCS-CYBMUJFWSA-N 1 3 360.433 2.821 20 0 FFADHO COc1cc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc(OC)c1OC ZINC000635007164 521865130 /nfs/dbraw/zinc/86/51/30/521865130.db2.gz FGGUHLKRSPPCTB-CQSZACIVSA-N 1 3 372.469 2.690 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635012575 521866954 /nfs/dbraw/zinc/86/69/54/521866954.db2.gz WSAMHQILQQWEGH-HNNXBMFYSA-N 1 3 353.466 2.848 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623493833 522067488 /nfs/dbraw/zinc/06/74/88/522067488.db2.gz SVWLWSUPXNNMEW-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623493833 522067490 /nfs/dbraw/zinc/06/74/90/522067490.db2.gz SVWLWSUPXNNMEW-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)CC[N@H+](C)CCCNCc1ccc(Br)c(F)c1F ZINC000623576140 522133275 /nfs/dbraw/zinc/13/32/75/522133275.db2.gz HGWPPFSLJOVABE-UHFFFAOYSA-N 1 3 364.278 2.700 20 0 FFADHO CN(C)CC[N@@H+](C)CCCNCc1ccc(Br)c(F)c1F ZINC000623576140 522133282 /nfs/dbraw/zinc/13/32/82/522133282.db2.gz HGWPPFSLJOVABE-UHFFFAOYSA-N 1 3 364.278 2.700 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000623689601 522219777 /nfs/dbraw/zinc/21/97/77/522219777.db2.gz QMVFQBAUUMMMGB-UHFFFAOYSA-N 1 3 362.518 2.871 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626491093 522228782 /nfs/dbraw/zinc/22/87/82/522228782.db2.gz UKDSHJBBPDURSV-LEWJYISDSA-N 1 3 355.526 2.697 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626491093 522228793 /nfs/dbraw/zinc/22/87/93/522228793.db2.gz UKDSHJBBPDURSV-LEWJYISDSA-N 1 3 355.526 2.697 20 0 FFADHO O[C@H](CNCC1(c2ccc(Br)cc2)CCC1)C[NH+]1CCCC1 ZINC000629557895 522311748 /nfs/dbraw/zinc/31/17/48/522311748.db2.gz IHQBJOVSXNEXCN-QGZVFWFLSA-N 1 3 367.331 2.917 20 0 FFADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Sc1ccc(Br)cc1 ZINC000629566450 522322852 /nfs/dbraw/zinc/32/28/52/522322852.db2.gz ZIHNYCDBSQANBC-UKRRQHHQSA-N 1 3 373.360 2.976 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000635528202 522338769 /nfs/dbraw/zinc/33/87/69/522338769.db2.gz PDMHJBJSIANACK-HOTGVXAUSA-N 1 3 364.559 2.962 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000632866532 522342492 /nfs/dbraw/zinc/34/24/92/522342492.db2.gz XHRTVBNYRIWZJT-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO [NH3+]CCCOCCNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000629677961 522389446 /nfs/dbraw/zinc/38/94/46/522389446.db2.gz JKLFLWXISUMKAE-UHFFFAOYSA-N 1 3 371.197 2.803 20 0 FFADHO CN1CCC(n2cc(NC(=O)N3CCCC[C@H]3[C@H]3CCC[NH2+]C3)cn2)CC1 ZINC000632962065 522431064 /nfs/dbraw/zinc/43/10/64/522431064.db2.gz WVXUGJDFUKIDSE-LPHOPBHVSA-N 1 3 374.533 2.536 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000624074412 522459405 /nfs/dbraw/zinc/45/94/05/522459405.db2.gz BNQACHPGFJWKRE-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000624074412 522459406 /nfs/dbraw/zinc/45/94/06/522459406.db2.gz BNQACHPGFJWKRE-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+](C)CC1(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000635716096 522472733 /nfs/dbraw/zinc/47/27/33/522472733.db2.gz OUIFORPIXBEFQL-GOSISDBHSA-N 1 3 367.497 2.610 20 0 FFADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1OCC(=O)N(C)C ZINC000624120929 522490605 /nfs/dbraw/zinc/49/06/05/522490605.db2.gz KIKJOSVWTQSXHZ-PKOBYXMFSA-N 1 3 361.530 2.926 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626993750 522576263 /nfs/dbraw/zinc/57/62/63/522576263.db2.gz MCRXEKYDFQWVIK-OZROYSPXSA-N 1 3 370.541 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC000627016185 522593929 /nfs/dbraw/zinc/59/39/29/522593929.db2.gz IYLJCCOMQKVZHL-ILWGZMRPSA-N 1 3 370.541 2.538 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000633341943 522682759 /nfs/dbraw/zinc/68/27/59/522682759.db2.gz FINYIVKWDOTEIB-KRWDZBQOSA-N 1 3 350.551 2.909 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000624945687 523047147 /nfs/dbraw/zinc/04/71/47/523047147.db2.gz LGXJCYNMKJCZDY-HKBOAZHASA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000624945687 523047158 /nfs/dbraw/zinc/04/71/58/523047158.db2.gz LGXJCYNMKJCZDY-HKBOAZHASA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636618282 523100969 /nfs/dbraw/zinc/10/09/69/523100969.db2.gz AWMBIELOGIMTMQ-HXUWFJFHSA-N 1 3 372.557 2.819 20 0 FFADHO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CC[C@H](N2CCCC2)C1 ZINC000625137009 523195632 /nfs/dbraw/zinc/19/56/32/523195632.db2.gz FBYSZSZSPRJAGR-FDFHNCONSA-N 1 3 367.537 2.841 20 0 FFADHO O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CC[C@H](N2CCCC2)C1 ZINC000625137009 523195646 /nfs/dbraw/zinc/19/56/46/523195646.db2.gz FBYSZSZSPRJAGR-FDFHNCONSA-N 1 3 367.537 2.841 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636874861 523269109 /nfs/dbraw/zinc/26/91/09/523269109.db2.gz USVWBOCPMVQLMB-QGZVFWFLSA-N 1 3 352.910 2.555 20 0 FFADHO CNC(=O)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000631196363 523451370 /nfs/dbraw/zinc/45/13/70/523451370.db2.gz QFKQWYOPOJSUBR-LAUBAEHRSA-N 1 3 351.494 2.904 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000634679583 523579998 /nfs/dbraw/zinc/57/99/98/523579998.db2.gz ZDUWPCLJENMTNW-GOSISDBHSA-N 1 3 350.503 2.691 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637369709 523587195 /nfs/dbraw/zinc/58/71/95/523587195.db2.gz BEWRDRYCRZMWRZ-AZUAARDMSA-N 1 3 362.562 2.767 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637369709 523587204 /nfs/dbraw/zinc/58/72/04/523587204.db2.gz BEWRDRYCRZMWRZ-AZUAARDMSA-N 1 3 362.562 2.767 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCCc3ncccc32)cc1 ZINC000631597617 523708897 /nfs/dbraw/zinc/70/88/97/523708897.db2.gz USVHETYIQLPOLA-FQEVSTJZSA-N 1 3 352.482 2.540 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C[NH2+]1 ZINC000625854758 523721578 /nfs/dbraw/zinc/72/15/78/523721578.db2.gz FUTQHUAMTDLMMB-QAPCUYQASA-N 1 3 362.543 2.540 20 0 FFADHO Cc1cc(NC(=O)CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)no1 ZINC000521319383 562174119 /nfs/dbraw/zinc/17/41/19/562174119.db2.gz RXLPPWSSHXXDEQ-OALUTQOASA-N 1 3 368.481 2.766 20 0 FFADHO Cc1cc(NC(=O)CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)no1 ZINC000521319383 562174120 /nfs/dbraw/zinc/17/41/20/562174120.db2.gz RXLPPWSSHXXDEQ-OALUTQOASA-N 1 3 368.481 2.766 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)CC1(C)C ZINC000898288193 735337138 /nfs/dbraw/zinc/33/71/38/735337138.db2.gz HBQOLGWQEZHCQE-INIZCTEOSA-N 1 3 351.516 2.553 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000899050180 735438875 /nfs/dbraw/zinc/43/88/75/735438875.db2.gz LWOAAUOAFXVGTH-UPJWGTAASA-N 1 3 363.893 2.911 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@@H+]1C ZINC000291207291 729718214 /nfs/dbraw/zinc/71/82/14/729718214.db2.gz GSTDNNOVXXTSCR-GJZGRUSLSA-N 1 3 353.457 2.585 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@H+]1C ZINC000291207291 729718217 /nfs/dbraw/zinc/71/82/17/729718217.db2.gz GSTDNNOVXXTSCR-GJZGRUSLSA-N 1 3 353.457 2.585 20 0 FFADHO COC[C@@H](CCCNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322969256 729754208 /nfs/dbraw/zinc/75/42/08/729754208.db2.gz XXEOEMCUKREDMY-MGNMYUMUSA-N 1 3 355.523 2.521 20 0 FFADHO COC[C@@H](CCCNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322969256 729754210 /nfs/dbraw/zinc/75/42/10/729754210.db2.gz XXEOEMCUKREDMY-MGNMYUMUSA-N 1 3 355.523 2.521 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418234275 729856314 /nfs/dbraw/zinc/85/63/14/729856314.db2.gz PTRBMKAUBDOUIG-INMHGKMJSA-N 1 3 350.532 2.580 20 0 FFADHO C[N@H+](C[C@@H](O)CNCCc1ccc(Br)cc1Cl)C1CC1 ZINC000644655488 730491236 /nfs/dbraw/zinc/49/12/36/730491236.db2.gz HEMNBKADUKGOOG-AWEZNQCLSA-N 1 3 361.711 2.690 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCCc1ccc(Br)cc1Cl)C1CC1 ZINC000644655488 730491237 /nfs/dbraw/zinc/49/12/37/730491237.db2.gz HEMNBKADUKGOOG-AWEZNQCLSA-N 1 3 361.711 2.690 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645489812 730562494 /nfs/dbraw/zinc/56/24/94/730562494.db2.gz NTMSJPDMNSFQKS-RBUKOAKNSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645489812 730562497 /nfs/dbraw/zinc/56/24/97/730562497.db2.gz NTMSJPDMNSFQKS-RBUKOAKNSA-N 1 3 350.551 2.909 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000862268662 730683970 /nfs/dbraw/zinc/68/39/70/730683970.db2.gz MXIRPBOOVXTORT-UKRRQHHQSA-N 1 3 359.461 2.705 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000862273500 730684431 /nfs/dbraw/zinc/68/44/31/730684431.db2.gz IJIDOGQORXZFOK-QLFBSQMISA-N 1 3 359.461 2.848 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000862273500 730684433 /nfs/dbraw/zinc/68/44/33/730684433.db2.gz IJIDOGQORXZFOK-QLFBSQMISA-N 1 3 359.461 2.848 20 0 FFADHO C[C@@H]([NH3+])C[C@H](C)NCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000647552406 730749839 /nfs/dbraw/zinc/74/98/39/730749839.db2.gz ZBIKKTNBDRZJOC-CABCVRRESA-N 1 3 360.527 2.862 20 0 FFADHO CCN(CC)c1ncc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707021 731022067 /nfs/dbraw/zinc/02/20/67/731022067.db2.gz XBRVZLRHEUGPPB-ZOBUZTSGSA-N 1 3 352.548 2.708 20 0 FFADHO CC[N@H+](CCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)C1CCCCC1 ZINC000651220069 731066572 /nfs/dbraw/zinc/06/65/72/731066572.db2.gz QYWLAFQCMWJOFF-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+](CCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)C1CCCCC1 ZINC000651220069 731066575 /nfs/dbraw/zinc/06/65/75/731066575.db2.gz QYWLAFQCMWJOFF-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CC1(C)CCNCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000866698720 731089281 /nfs/dbraw/zinc/08/92/81/731089281.db2.gz CESRVTUIICIGML-UHFFFAOYSA-N 1 3 372.282 2.991 20 0 FFADHO CC1(C)CCNCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000866698720 731089283 /nfs/dbraw/zinc/08/92/83/731089283.db2.gz CESRVTUIICIGML-UHFFFAOYSA-N 1 3 372.282 2.991 20 0 FFADHO C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000925582236 738516196 /nfs/dbraw/zinc/51/61/96/738516196.db2.gz DENICNAPGLDNAC-BBRMVZONSA-N 1 3 357.420 2.952 20 0 FFADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925570683 738514919 /nfs/dbraw/zinc/51/49/19/738514919.db2.gz XHJNKRHNFFZMLJ-ROUUACIJSA-N 1 3 367.559 2.510 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849491 738536047 /nfs/dbraw/zinc/53/60/47/738536047.db2.gz DIJRYKSWOAQWCZ-GXTWGEPZSA-N 1 3 351.516 2.911 20 0 FFADHO CSc1ccc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925855053 738537733 /nfs/dbraw/zinc/53/77/33/738537733.db2.gz SSRKWWVMUNYILO-OCCSQVGLSA-N 1 3 352.475 2.884 20 0 FFADHO COc1ccc(Br)cc1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574286 731792412 /nfs/dbraw/zinc/79/24/12/731792412.db2.gz VLLAMGNOPLHPTI-AWEZNQCLSA-N 1 3 372.351 2.819 20 0 FFADHO C[C@@H](O)[C@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)ccc1F ZINC000661768209 732238696 /nfs/dbraw/zinc/23/86/96/732238696.db2.gz UUQINZXKNIEPRB-PBGAUENZSA-N 1 3 350.478 2.516 20 0 FFADHO C[C@@H](O)[C@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)ccc1F ZINC000661768209 732238699 /nfs/dbraw/zinc/23/86/99/732238699.db2.gz UUQINZXKNIEPRB-PBGAUENZSA-N 1 3 350.478 2.516 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000877194216 732333741 /nfs/dbraw/zinc/33/37/41/732333741.db2.gz DJSPNHXDMQUOFS-OAHLLOKOSA-N 1 3 352.910 2.766 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000670106669 733306702 /nfs/dbraw/zinc/30/67/02/733306702.db2.gz OZMQRCWOVIPGMT-RHSMWYFYSA-N 1 3 354.926 2.972 20 0 FFADHO COCC[NH+]1CCC(N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000671302403 733411081 /nfs/dbraw/zinc/41/10/81/733411081.db2.gz NCMIAXWUZWPLCC-KRWDZBQOSA-N 1 3 368.319 2.996 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCSC[C@H]3C)CC2)CC1 ZINC000889926774 734244401 /nfs/dbraw/zinc/24/44/01/734244401.db2.gz IRJJEJFPFGKMIH-MRXNPFEDSA-N 1 3 353.576 2.537 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000891542650 734443740 /nfs/dbraw/zinc/44/37/40/734443740.db2.gz MEAOJQZIUXBUMO-GVDBMIGSSA-N 1 3 362.543 2.763 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000891542650 734443742 /nfs/dbraw/zinc/44/37/42/734443742.db2.gz MEAOJQZIUXBUMO-GVDBMIGSSA-N 1 3 362.543 2.763 20 0 FFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000893400968 734697774 /nfs/dbraw/zinc/69/77/74/734697774.db2.gz IEEOTIHKGOKRNP-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000893400971 734697866 /nfs/dbraw/zinc/69/78/66/734697866.db2.gz IEEOTIHKGOKRNP-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)CC1 ZINC000893564060 734720686 /nfs/dbraw/zinc/72/06/86/734720686.db2.gz MTVVHNCDLYGZPO-WBVHZDCISA-N 1 3 358.368 2.509 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000893564051 734720846 /nfs/dbraw/zinc/72/08/46/734720846.db2.gz MTVVHNCDLYGZPO-DOTOQJQBSA-N 1 3 358.368 2.509 20 0 FFADHO COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1(F)F ZINC000894422947 734855203 /nfs/dbraw/zinc/85/52/03/734855203.db2.gz LRSWQRRTCKCINY-SIXLDLHFSA-N 1 3 352.425 2.541 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC[C@H]1C[C@]1(C)Br ZINC000894523312 734873976 /nfs/dbraw/zinc/87/39/76/734873976.db2.gz VSJNTJJABIDEKM-ZBFHGGJFSA-N 1 3 356.308 2.675 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CNCC1CC[NH+](C)CC1 ZINC000895961626 735080380 /nfs/dbraw/zinc/08/03/80/735080380.db2.gz SYEMSXXOZNSERD-UHFFFAOYSA-N 1 3 354.292 2.627 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000902434328 735945926 /nfs/dbraw/zinc/94/59/26/735945926.db2.gz NKQZIMLVCMHGGH-UGLNBPRTSA-N 1 3 360.489 2.556 20 0 FFADHO CC1(C)[C@@H](NCC2(OCCO)CCC(C(F)F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902434328 735945932 /nfs/dbraw/zinc/94/59/32/735945932.db2.gz NKQZIMLVCMHGGH-UGLNBPRTSA-N 1 3 360.489 2.556 20 0 FFADHO C[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1CC[NH3+] ZINC000903496329 736101775 /nfs/dbraw/zinc/10/17/75/736101775.db2.gz KMRWMEPBUTZIKX-GHMZBOCLSA-N 1 3 361.820 2.797 20 0 FFADHO C[C@@H]1CN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1CC[NH3+] ZINC000903496595 736102494 /nfs/dbraw/zinc/10/24/94/736102494.db2.gz UWWDXJJUKXLTAM-WRWLIDTKSA-N 1 3 357.523 2.870 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2 ZINC000903843998 736174240 /nfs/dbraw/zinc/17/42/40/736174240.db2.gz ZCIRXMKIVWAHCY-YOENINGUSA-N 1 3 353.388 2.622 20 0 FFADHO FC(F)(F)COc1cc(CNCc2cccc3c2CC[NH2+]C3)ccn1 ZINC000903921608 736188673 /nfs/dbraw/zinc/18/86/73/736188673.db2.gz QMOSAMITWLCTNG-UHFFFAOYSA-N 1 3 351.372 2.958 20 0 FFADHO CCn1cc(Cl)cc1C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000911191114 737178702 /nfs/dbraw/zinc/17/87/02/737178702.db2.gz ZCMBSIKYZLKSHM-UHFFFAOYSA-N 1 3 366.937 2.794 20 0 FFADHO CCn1cc(Cl)cc1C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000911191114 737178706 /nfs/dbraw/zinc/17/87/06/737178706.db2.gz ZCMBSIKYZLKSHM-UHFFFAOYSA-N 1 3 366.937 2.794 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000773122260 737873364 /nfs/dbraw/zinc/87/33/64/737873364.db2.gz XADCISCFTVMOCH-VDGAXYAQSA-N 1 3 352.494 2.760 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000773122260 737873366 /nfs/dbraw/zinc/87/33/66/737873366.db2.gz XADCISCFTVMOCH-VDGAXYAQSA-N 1 3 352.494 2.760 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(Cl)c3N)C2)[C@H]1C(C)C ZINC000922395246 738137628 /nfs/dbraw/zinc/13/76/28/738137628.db2.gz RQMRRESDNZYFLG-RWQQGDIJSA-N 1 3 351.922 2.882 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(Cl)c3N)C2)[C@H]1C(C)C ZINC000922395246 738137630 /nfs/dbraw/zinc/13/76/30/738137630.db2.gz RQMRRESDNZYFLG-RWQQGDIJSA-N 1 3 351.922 2.882 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccc(Br)cc1 ZINC000923503154 738292982 /nfs/dbraw/zinc/29/29/82/738292982.db2.gz HDBVXWUEOJZKLN-YDHLFZDLSA-N 1 3 368.319 2.543 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3C[C@H]4COC[C@H]4O3)C2)s1 ZINC000930373238 739096174 /nfs/dbraw/zinc/09/61/74/739096174.db2.gz ICTXXWLKTHNSQY-VUHPKUFZSA-N 1 3 350.528 2.614 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3C[C@H]4COC[C@H]4O3)C2)s1 ZINC000930373238 739096178 /nfs/dbraw/zinc/09/61/78/739096178.db2.gz ICTXXWLKTHNSQY-VUHPKUFZSA-N 1 3 350.528 2.614 20 0 FFADHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000931484623 739272840 /nfs/dbraw/zinc/27/28/40/739272840.db2.gz OITMNUHBTQJXOI-UHFFFAOYSA-N 1 3 374.312 2.711 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000948388785 740343902 /nfs/dbraw/zinc/34/39/02/740343902.db2.gz JZVCSLROLUAGHI-HRCADAONSA-N 1 3 363.468 2.982 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(CCC(F)(F)F)CC2)CC[N@H+]1C ZINC000948388785 740343904 /nfs/dbraw/zinc/34/39/04/740343904.db2.gz JZVCSLROLUAGHI-HRCADAONSA-N 1 3 363.468 2.982 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000810184763 741395575 /nfs/dbraw/zinc/39/55/75/741395575.db2.gz ZMOPEACAIVMYEF-IBGZPJMESA-N 1 3 351.466 2.778 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cnc(C)s3)C(C)(C)C2)CC[N@@H+]1C ZINC000995824887 741961860 /nfs/dbraw/zinc/96/18/60/741961860.db2.gz LPCVOMWRHUWMEZ-BBWFWOEESA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cnc(C)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995824887 741961862 /nfs/dbraw/zinc/96/18/62/741961862.db2.gz LPCVOMWRHUWMEZ-BBWFWOEESA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3scnc3C)CC2)CC[N@@H+]1C ZINC001001422398 742120339 /nfs/dbraw/zinc/12/03/39/742120339.db2.gz NZMVARUFYYGZIF-DLBZAZTESA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3scnc3C)CC2)CC[N@H+]1C ZINC001001422398 742120343 /nfs/dbraw/zinc/12/03/43/742120343.db2.gz NZMVARUFYYGZIF-DLBZAZTESA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2scnc2C)CC[N@@H+]1C ZINC001024967677 742737453 /nfs/dbraw/zinc/73/74/53/742737453.db2.gz CHXBEZJWKFRFSR-IXDOHACOSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2scnc2C)CC[N@H+]1C ZINC001024967677 742737455 /nfs/dbraw/zinc/73/74/55/742737455.db2.gz CHXBEZJWKFRFSR-IXDOHACOSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2cnc(C)s2)CC[N@@H+]1C ZINC001024967706 742737600 /nfs/dbraw/zinc/73/76/00/742737600.db2.gz FAYATKUPWXJCQK-BPQIPLTHSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2cnc(C)s2)CC[N@H+]1C ZINC001024967706 742737603 /nfs/dbraw/zinc/73/76/03/742737603.db2.gz FAYATKUPWXJCQK-BPQIPLTHSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001033092665 742874696 /nfs/dbraw/zinc/87/46/96/742874696.db2.gz SZLLRFLQVLKWCA-ATZDWAIDSA-N 1 3 363.933 2.755 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001033092665 742874705 /nfs/dbraw/zinc/87/47/05/742874705.db2.gz SZLLRFLQVLKWCA-ATZDWAIDSA-N 1 3 363.933 2.755 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(Cc4ccccc4Cl)C[C@H]3C2)CC[N@@H+]1C ZINC001048829781 743430747 /nfs/dbraw/zinc/43/07/47/743430747.db2.gz XDFPWEVENZBYSA-NRSFXHEJSA-N 1 3 361.917 2.570 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(Cc4ccccc4Cl)C[C@H]3C2)CC[N@H+]1C ZINC001048829781 743430752 /nfs/dbraw/zinc/43/07/52/743430752.db2.gz XDFPWEVENZBYSA-NRSFXHEJSA-N 1 3 361.917 2.570 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000827441004 743576541 /nfs/dbraw/zinc/57/65/41/743576541.db2.gz OVPSLQOIQLYHFC-CZUORRHYSA-N 1 3 352.910 2.672 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc(Cl)n1 ZINC000830943276 745454946 /nfs/dbraw/zinc/45/49/46/745454946.db2.gz CACVNUSWHPWOKK-WBVHZDCISA-N 1 3 364.921 2.624 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc(Cl)n1 ZINC000830943276 745454948 /nfs/dbraw/zinc/45/49/48/745454948.db2.gz CACVNUSWHPWOKK-WBVHZDCISA-N 1 3 364.921 2.624 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc(Cl)n1 ZINC000830943274 745454957 /nfs/dbraw/zinc/45/49/57/745454957.db2.gz CACVNUSWHPWOKK-NVXWUHKLSA-N 1 3 364.921 2.624 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc(Cl)n1 ZINC000830943274 745454959 /nfs/dbraw/zinc/45/49/59/745454959.db2.gz CACVNUSWHPWOKK-NVXWUHKLSA-N 1 3 364.921 2.624 20 0 FFADHO [NH3+]CCCCCCCN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000844222124 747990244 /nfs/dbraw/zinc/99/02/44/747990244.db2.gz VVZUROJPCPQDGN-IBGZPJMESA-N 1 3 353.938 2.900 20 0 FFADHO Cc1csc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849069369 749044291 /nfs/dbraw/zinc/04/42/91/749044291.db2.gz HFAAWSQIEZVOKO-UHFFFAOYSA-N 1 3 357.527 2.773 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000849088058 749048239 /nfs/dbraw/zinc/04/82/39/749048239.db2.gz RYAKXGAZTIXDGG-BXUZGUMPSA-N 1 3 359.301 2.625 20 0 FFADHO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000851926116 749728806 /nfs/dbraw/zinc/72/88/06/749728806.db2.gz JOSXUHLCIRTBOE-UXLLHSPISA-N 1 3 362.451 2.814 20 0 FFADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(C)cc1 ZINC000586119110 845952400 /nfs/dbraw/zinc/95/24/00/845952400.db2.gz ZYGQDOVPNYALPN-UHFFFAOYSA-N 1 3 369.575 2.669 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC)C1 ZINC001104803582 970860781 /nfs/dbraw/zinc/86/07/81/970860781.db2.gz VWIHCBBGDKYBBJ-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000652015755 971127274 /nfs/dbraw/zinc/12/72/74/971127274.db2.gz LBJBHLSKHIRDCT-XSDIEEQYSA-N 1 3 355.526 2.745 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCC(F)(F)F)C[C@@]2(C)C1)CC(C)(C)C ZINC001101369023 971305442 /nfs/dbraw/zinc/30/54/42/971305442.db2.gz ZMGVJBGAISMJDD-PBHICJAKSA-N 1 3 363.468 2.697 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@]2(C)C1)CC(C)(C)C ZINC001101369023 971305450 /nfs/dbraw/zinc/30/54/50/971305450.db2.gz ZMGVJBGAISMJDD-PBHICJAKSA-N 1 3 363.468 2.697 20 0 FFADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001112171337 971308946 /nfs/dbraw/zinc/30/89/46/971308946.db2.gz FBPXHNDYPGAOAL-BPLDGKMQSA-N 1 3 360.424 2.613 20 0 FFADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001112171338 971308997 /nfs/dbraw/zinc/30/89/97/971308997.db2.gz FBPXHNDYPGAOAL-NWANDNLSSA-N 1 3 360.424 2.613 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccncc2Cl)C1 ZINC001105064500 971437548 /nfs/dbraw/zinc/43/75/48/971437548.db2.gz RYIHBEJSRCVVQX-NVXWUHKLSA-N 1 3 366.937 2.649 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000660321718 971601784 /nfs/dbraw/zinc/60/17/84/971601784.db2.gz IKVGAXBABAFILB-LJQANCHMSA-N 1 3 358.530 2.954 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)CCCC1 ZINC001275862279 1013108828 /nfs/dbraw/zinc/10/88/28/1013108828.db2.gz FBHZHHIZZBIGBO-HNNXBMFYSA-N 1 3 357.489 2.592 20 0 FFADHO CCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087993146 971737215 /nfs/dbraw/zinc/73/72/15/971737215.db2.gz BOOIECLDJNSURH-FSSWDIPSSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087993146 971737220 /nfs/dbraw/zinc/73/72/20/971737220.db2.gz BOOIECLDJNSURH-FSSWDIPSSA-N 1 3 369.553 2.870 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)cccc3C)CC[C@@H]2C1)N(C)C ZINC001088010655 971844258 /nfs/dbraw/zinc/84/42/58/971844258.db2.gz DMPKEOAKXZRZIR-SVFBPWRDSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3c(C)cccc3C)CC[C@@H]2C1)N(C)C ZINC001088010655 971844263 /nfs/dbraw/zinc/84/42/63/971844263.db2.gz DMPKEOAKXZRZIR-SVFBPWRDSA-N 1 3 357.542 2.924 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(Cc3ccc(CF)cc3)CC2(C)C)CC[N@@H+]1C ZINC000974606709 972054339 /nfs/dbraw/zinc/05/43/39/972054339.db2.gz SRDRZMWACCKANX-LZQZEXGQSA-N 1 3 361.505 2.823 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(Cc3ccc(CF)cc3)CC2(C)C)CC[N@H+]1C ZINC000974606709 972054348 /nfs/dbraw/zinc/05/43/48/972054348.db2.gz SRDRZMWACCKANX-LZQZEXGQSA-N 1 3 361.505 2.823 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064314 972063702 /nfs/dbraw/zinc/06/37/02/972063702.db2.gz XYCNJCBFKBQERR-QUCCMNQESA-N 1 3 370.541 2.545 20 0 FFADHO C[C@H]1CC(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)C1 ZINC000660573996 972254606 /nfs/dbraw/zinc/25/46/06/972254606.db2.gz NFNRCENNZIHXKZ-IAGOWNOFSA-N 1 3 364.578 2.917 20 0 FFADHO [NH2+]=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000066242657 959458960 /nfs/dbraw/zinc/45/89/60/959458960.db2.gz JIEXILFAFSLJEL-UHFFFAOYSA-N 1 3 351.498 2.831 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCOC2CCCCCC2)C1 ZINC000969700392 959777890 /nfs/dbraw/zinc/77/78/90/959777890.db2.gz PAOMAPISDZKPJB-MBOZVWFJSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCOC2CCCCCC2)C1 ZINC000969700392 959777901 /nfs/dbraw/zinc/77/79/01/959777901.db2.gz PAOMAPISDZKPJB-MBOZVWFJSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655724649 961173373 /nfs/dbraw/zinc/17/33/73/961173373.db2.gz WGEOTNOOPPEVKO-WOIUINJBSA-N 1 3 371.569 2.986 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655753125 961243883 /nfs/dbraw/zinc/24/38/83/961243883.db2.gz WAVBLOHTFAXHIS-RCZSKKKRSA-N 1 3 357.542 2.740 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424117 1013331791 /nfs/dbraw/zinc/33/17/91/1013331791.db2.gz FYEKXJFUWVIFNU-MLNNCEHLSA-N 1 3 367.537 2.812 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCc1ccccc1 ZINC001104291633 962340448 /nfs/dbraw/zinc/34/04/48/962340448.db2.gz QOYFPYYTHIBHJE-DUXKGJEZSA-N 1 3 357.542 2.644 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CCNC/C(Cl)=C/Cl ZINC001104291772 962343096 /nfs/dbraw/zinc/34/30/96/962343096.db2.gz VCHQLHAHGBWPOI-JLUDVZNCSA-N 1 3 362.345 2.720 20 0 FFADHO CCc1ccc2nccc(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)c2c1 ZINC000649309178 1013338808 /nfs/dbraw/zinc/33/88/08/1013338808.db2.gz RFSQECHTVNIVDH-HXUWFJFHSA-N 1 3 352.482 2.716 20 0 FFADHO CCc1ccc2nccc(N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)c2c1 ZINC000649309178 1013338814 /nfs/dbraw/zinc/33/88/14/1013338814.db2.gz RFSQECHTVNIVDH-HXUWFJFHSA-N 1 3 352.482 2.716 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cc1C ZINC001095436902 1013366569 /nfs/dbraw/zinc/36/65/69/1013366569.db2.gz FFQZHSBUXHPBRV-JFHUYLGKSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)cc1C ZINC001095436902 1013366578 /nfs/dbraw/zinc/36/65/78/1013366578.db2.gz FFQZHSBUXHPBRV-JFHUYLGKSA-N 1 3 355.526 2.865 20 0 FFADHO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218577 1013432166 /nfs/dbraw/zinc/43/21/66/1013432166.db2.gz KIKUNHZBMQOTIZ-HNNXBMFYSA-N 1 3 353.445 2.976 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccc(OC(F)F)cc2F)CC[NH2+]CC1 ZINC000873250523 1013449178 /nfs/dbraw/zinc/44/91/78/1013449178.db2.gz GHILUPOCDOSIBO-LBPRGKRZSA-N 1 3 374.403 2.838 20 0 FFADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001269292884 964052448 /nfs/dbraw/zinc/05/24/48/964052448.db2.gz SQQXTODGHSDOJT-IMUNXNLSSA-N 1 3 355.526 2.879 20 0 FFADHO CC/C=C\CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001269292884 964052461 /nfs/dbraw/zinc/05/24/61/964052461.db2.gz SQQXTODGHSDOJT-IMUNXNLSSA-N 1 3 355.526 2.879 20 0 FFADHO CCN(C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCN(C)C1 ZINC000664437294 964348567 /nfs/dbraw/zinc/34/85/67/964348567.db2.gz SYVHNFYVXVAWCT-IZZBFERCSA-N 1 3 372.557 2.879 20 0 FFADHO CCN(C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCN(C)C1 ZINC000664437294 964348579 /nfs/dbraw/zinc/34/85/79/964348579.db2.gz SYVHNFYVXVAWCT-IZZBFERCSA-N 1 3 372.557 2.879 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncs1 ZINC001087165995 964478348 /nfs/dbraw/zinc/47/83/48/964478348.db2.gz TZCGYYCPAQZIPQ-RYRKJORJSA-N 1 3 364.559 2.733 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncs1 ZINC001087165995 964478357 /nfs/dbraw/zinc/47/83/57/964478357.db2.gz TZCGYYCPAQZIPQ-RYRKJORJSA-N 1 3 364.559 2.733 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccccc2F)CC[N@@H+]1C ZINC001087168114 964808225 /nfs/dbraw/zinc/80/82/25/964808225.db2.gz SUQSSWWWKQHTAB-ZAWLATJESA-N 1 3 361.505 2.883 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccccc2F)CC[N@H+]1C ZINC001087168114 964808232 /nfs/dbraw/zinc/80/82/32/964808232.db2.gz SUQSSWWWKQHTAB-ZAWLATJESA-N 1 3 361.505 2.883 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cccnc2)CC[N@@H+]1C ZINC001087168346 964812926 /nfs/dbraw/zinc/81/29/26/964812926.db2.gz HGIZPAUPXLFDKT-BTHPGYMESA-N 1 3 358.530 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cccnc2)CC[N@H+]1C ZINC001087168346 964812934 /nfs/dbraw/zinc/81/29/34/964812934.db2.gz HGIZPAUPXLFDKT-BTHPGYMESA-N 1 3 358.530 2.529 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)[C@@H]1c1ccccc1 ZINC000891722917 964961578 /nfs/dbraw/zinc/96/15/78/964961578.db2.gz LRJOBDVVUKGPEL-WFXMLNOXSA-N 1 3 358.530 2.838 20 0 FFADHO O=C(N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(F)(F)F ZINC001167972695 965445107 /nfs/dbraw/zinc/44/51/07/965445107.db2.gz AAIJUBUTJYKSKS-HNSVSWJLSA-N 1 3 359.436 2.535 20 0 FFADHO O=C(N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(F)(F)F ZINC001167972695 965445113 /nfs/dbraw/zinc/44/51/13/965445113.db2.gz AAIJUBUTJYKSKS-HNSVSWJLSA-N 1 3 359.436 2.535 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001110190526 1013578725 /nfs/dbraw/zinc/57/87/25/1013578725.db2.gz BKNHICBFDIPSIY-FYQPLNBISA-N 1 3 363.546 2.543 20 0 FFADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nc2ccccc2o1 ZINC000983709044 965808101 /nfs/dbraw/zinc/80/81/01/965808101.db2.gz SICGVHBBUDOBCG-WRQOLXDDSA-N 1 3 370.497 2.713 20 0 FFADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nc2ccccc2o1 ZINC000983709044 965808111 /nfs/dbraw/zinc/80/81/11/965808111.db2.gz SICGVHBBUDOBCG-WRQOLXDDSA-N 1 3 370.497 2.713 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000664909836 965976798 /nfs/dbraw/zinc/97/67/98/965976798.db2.gz AVYICSTZGJLWEN-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000664909836 965976812 /nfs/dbraw/zinc/97/68/12/965976812.db2.gz AVYICSTZGJLWEN-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCC23CC[NH+](C)CC3)CCN1Cc1ccccc1 ZINC000894883883 966071633 /nfs/dbraw/zinc/07/16/33/966071633.db2.gz BGVUCXDLLRBANQ-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO Cc1ncsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001087212885 966582042 /nfs/dbraw/zinc/58/20/42/966582042.db2.gz UXTWJOFOQPGYIQ-VYDXJSESSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)C(=O)N1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@H]21 ZINC001167993698 967151344 /nfs/dbraw/zinc/15/13/44/967151344.db2.gz PDCKLUJNOWFSLD-FYKRDEHLSA-N 1 3 359.558 2.971 20 0 FFADHO CC(C)C(=O)N1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@H]21 ZINC001167993698 967151353 /nfs/dbraw/zinc/15/13/53/967151353.db2.gz PDCKLUJNOWFSLD-FYKRDEHLSA-N 1 3 359.558 2.971 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000650722390 967601088 /nfs/dbraw/zinc/60/10/88/967601088.db2.gz RRNPCXFJLNRZFL-QHAWAJNXSA-N 1 3 354.498 2.792 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)CC[N@@H+]1C ZINC001029313486 967691420 /nfs/dbraw/zinc/69/14/20/967691420.db2.gz DFPMCJMQMDTTQI-AYWYSENESA-N 1 3 355.526 2.635 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)CC[N@H+]1C ZINC001029313486 967691427 /nfs/dbraw/zinc/69/14/27/967691427.db2.gz DFPMCJMQMDTTQI-AYWYSENESA-N 1 3 355.526 2.635 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645440502 967729470 /nfs/dbraw/zinc/72/94/70/967729470.db2.gz ZQRKMDDREWGQFJ-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645440502 967729478 /nfs/dbraw/zinc/72/94/78/967729478.db2.gz ZQRKMDDREWGQFJ-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000669483849 967755428 /nfs/dbraw/zinc/75/54/28/967755428.db2.gz PEWXKZYZHFHVHJ-PZJWPPBQSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)CC[N@@H+]1C ZINC001075810493 967995834 /nfs/dbraw/zinc/99/58/34/967995834.db2.gz HJVFEDIVGMSXTJ-MCYKXBRJSA-N 1 3 367.493 2.806 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)CC[N@H+]1C ZINC001075810493 967995845 /nfs/dbraw/zinc/99/58/45/967995845.db2.gz HJVFEDIVGMSXTJ-MCYKXBRJSA-N 1 3 367.493 2.806 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000665285836 968004244 /nfs/dbraw/zinc/00/42/44/968004244.db2.gz YDTHODKSSGECSL-SSGKUCQKSA-N 1 3 370.585 2.703 20 0 FFADHO CCc1cccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001075812000 968144802 /nfs/dbraw/zinc/14/48/02/968144802.db2.gz PORBRMWTGRMXLC-UMSONDCASA-N 1 3 355.526 2.622 20 0 FFADHO CCc1cccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001075812000 968144807 /nfs/dbraw/zinc/14/48/07/968144807.db2.gz PORBRMWTGRMXLC-UMSONDCASA-N 1 3 355.526 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(F)cc4C)C[C@H]32)CC[N@@H+]1C ZINC001075813507 968184019 /nfs/dbraw/zinc/18/40/19/968184019.db2.gz JYCYOKSVVOJGBH-MJUUVYJYSA-N 1 3 373.516 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(F)cc4C)C[C@H]32)CC[N@H+]1C ZINC001075813507 968184025 /nfs/dbraw/zinc/18/40/25/968184025.db2.gz JYCYOKSVVOJGBH-MJUUVYJYSA-N 1 3 373.516 2.897 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc(C)nc1C ZINC001087577836 968215197 /nfs/dbraw/zinc/21/51/97/968215197.db2.gz METVIYAZYHTQHD-RSPOEFSDSA-N 1 3 358.530 2.508 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc(C)nc1C ZINC001087577836 968215205 /nfs/dbraw/zinc/21/52/05/968215205.db2.gz METVIYAZYHTQHD-RSPOEFSDSA-N 1 3 358.530 2.508 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1csc(C)c1 ZINC001087574416 968216686 /nfs/dbraw/zinc/21/66/86/968216686.db2.gz FPJAIFZMJPDGQI-CEXWTWQISA-N 1 3 361.555 2.867 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]C2CN(c3cnccn3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168023103 969113942 /nfs/dbraw/zinc/11/39/42/969113942.db2.gz VHTQSCWGOYGZPJ-IZZQQSIFSA-N 1 3 351.498 2.696 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C/C=C\c1ccccc1 ZINC001087799152 969115039 /nfs/dbraw/zinc/11/50/39/969115039.db2.gz GGUKNOGZTRPLFZ-JRDMDSSDSA-N 1 3 353.510 2.765 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892516951 969330734 /nfs/dbraw/zinc/33/07/34/969330734.db2.gz SIDSEIGYILNYFE-SJORKVTESA-N 1 3 369.550 2.769 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892516948 969331091 /nfs/dbraw/zinc/33/10/91/969331091.db2.gz SIDSEIGYILNYFE-DLBZAZTESA-N 1 3 369.550 2.769 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892588450 969530821 /nfs/dbraw/zinc/53/08/21/969530821.db2.gz DEZLITCWNAXZOL-AYWYSENESA-N 1 3 370.541 2.681 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659032335 969648047 /nfs/dbraw/zinc/64/80/47/969648047.db2.gz FGFVQFYPMVOSDB-IBGZPJMESA-N 1 3 360.502 2.591 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659310442 969821741 /nfs/dbraw/zinc/82/17/41/969821741.db2.gz BUVWVIAMTKEOJG-LMNJBCLMSA-N 1 3 367.468 2.870 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659432186 969922070 /nfs/dbraw/zinc/92/20/70/969922070.db2.gz WAGVTCZTXWLMHI-KFKAGJAMSA-N 1 3 362.493 2.642 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659432186 969922075 /nfs/dbraw/zinc/92/20/75/969922075.db2.gz WAGVTCZTXWLMHI-KFKAGJAMSA-N 1 3 362.493 2.642 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)c2ccccc2)CC1 ZINC000659441650 969932905 /nfs/dbraw/zinc/93/29/05/969932905.db2.gz VMMLAKXQMRGTNJ-MOMVYJMYSA-N 1 3 356.514 2.592 20 0 FFADHO Cc1cccnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104639230 970008341 /nfs/dbraw/zinc/00/83/41/970008341.db2.gz LSVJMGASBZZONZ-QWFCFKBJSA-N 1 3 360.546 2.550 20 0 FFADHO COCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104683453 970099893 /nfs/dbraw/zinc/09/98/93/970099893.db2.gz KUFKDECJGMCMKH-RTBURBONSA-N 1 3 369.594 2.855 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCCCC(F)(F)F ZINC001104729019 970181683 /nfs/dbraw/zinc/18/16/83/970181683.db2.gz NDPHGLZSXJGSSY-ZIAGYGMSSA-N 1 3 360.424 2.759 20 0 FFADHO COc1cc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)ccc1C ZINC001104729650 970181910 /nfs/dbraw/zinc/18/19/10/970181910.db2.gz YKEIBMDBZBMHLK-SJLPKXTDSA-N 1 3 370.497 2.544 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000892924391 970374589 /nfs/dbraw/zinc/37/45/89/970374589.db2.gz DRIKXUFHZQDDOX-UHFFFAOYSA-N 1 3 358.530 2.906 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168025479 970477306 /nfs/dbraw/zinc/47/73/06/970477306.db2.gz COLVRTQHOLFKSW-IZZQQSIFSA-N 1 3 351.498 2.696 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088095421 972736095 /nfs/dbraw/zinc/73/60/95/972736095.db2.gz NEJWFKBJVUXHTR-QHAWAJNXSA-N 1 3 357.542 2.596 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088095421 972736100 /nfs/dbraw/zinc/73/61/00/972736100.db2.gz NEJWFKBJVUXHTR-QHAWAJNXSA-N 1 3 357.542 2.596 20 0 FFADHO COCC(=O)NC1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054710 973036596 /nfs/dbraw/zinc/03/65/96/973036596.db2.gz SZYBSOGAGNMPTP-RMFSNUHRSA-N 1 3 373.541 2.655 20 0 FFADHO COCC(=O)NC1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054710 973036609 /nfs/dbraw/zinc/03/66/09/973036609.db2.gz SZYBSOGAGNMPTP-RMFSNUHRSA-N 1 3 373.541 2.655 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000662729693 973841172 /nfs/dbraw/zinc/84/11/72/973841172.db2.gz QAKVJGBPHRFXMJ-FGZHOGPDSA-N 1 3 357.542 2.704 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C(C)(C)N)no3)c(C)c2)CC1 ZINC000662754424 973944290 /nfs/dbraw/zinc/94/42/90/973944290.db2.gz NBDIJFPBUCBHGT-UHFFFAOYSA-N 1 3 371.485 2.571 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000897320770 974230579 /nfs/dbraw/zinc/23/05/79/974230579.db2.gz DQKURNZDYFXLPF-UZLBHIALSA-N 1 3 361.530 2.923 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000652167427 974670791 /nfs/dbraw/zinc/67/07/91/974670791.db2.gz UHIHOECANPAJEO-DYESRHJHSA-N 1 3 366.509 2.868 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN([C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC000652352686 974973637 /nfs/dbraw/zinc/97/36/37/974973637.db2.gz MZTBZOWTJYTHSG-QSFXBCCZSA-N 1 3 363.452 2.517 20 0 FFADHO Cc1nc(CC[N@H+]2CC[C@H](NC(=O)c3ccn4cncc4c3)[C@H]2C)cs1 ZINC001088710322 975433409 /nfs/dbraw/zinc/43/34/09/975433409.db2.gz IARHJEIYZNQINV-ACJLOTCBSA-N 1 3 369.494 2.535 20 0 FFADHO Cc1nc(CC[N@@H+]2CC[C@H](NC(=O)c3ccn4cncc4c3)[C@H]2C)cs1 ZINC001088710322 975433414 /nfs/dbraw/zinc/43/34/14/975433414.db2.gz IARHJEIYZNQINV-ACJLOTCBSA-N 1 3 369.494 2.535 20 0 FFADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662524351 975678542 /nfs/dbraw/zinc/67/85/42/975678542.db2.gz LZEAKJNFQZJZAO-FQEVSTJZSA-N 1 3 369.509 2.592 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc3c(c2)COC3)CC[N@@H+]1C ZINC001027892639 975729944 /nfs/dbraw/zinc/72/99/44/975729944.db2.gz BBKJBZAQFHGIQR-QHAWAJNXSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc3c(c2)COC3)CC[N@H+]1C ZINC001027892639 975729954 /nfs/dbraw/zinc/72/99/54/975729954.db2.gz BBKJBZAQFHGIQR-QHAWAJNXSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@H](CNC(=O)c1cccc2c1CC[NH2+]C2)N1CCc2ccccc2C1 ZINC000662680417 975817365 /nfs/dbraw/zinc/81/73/65/975817365.db2.gz UXKYINRQYLLCQH-HXUWFJFHSA-N 1 3 363.505 2.899 20 0 FFADHO c1nc(N[C@H]2CCN(C3CC3)C2)nc(N[C@H]2CC[N@@H+](C3CC3)C2)c1C1CC1 ZINC000663424494 975862544 /nfs/dbraw/zinc/86/25/44/975862544.db2.gz CPBAAWAIHYUULQ-HOTGVXAUSA-N 1 3 368.529 2.651 20 0 FFADHO c1nc(N[C@H]2CCN(C3CC3)C2)nc(N[C@H]2CC[N@H+](C3CC3)C2)c1C1CC1 ZINC000663424494 975862556 /nfs/dbraw/zinc/86/25/56/975862556.db2.gz CPBAAWAIHYUULQ-HOTGVXAUSA-N 1 3 368.529 2.651 20 0 FFADHO CC(C)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087431134 976038479 /nfs/dbraw/zinc/03/84/79/976038479.db2.gz BFIFPUQXUWGFND-WOJBJXKFSA-N 1 3 355.526 2.998 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)CC[N@@H+]1C ZINC000981200658 976339577 /nfs/dbraw/zinc/33/95/77/976339577.db2.gz XUDYECPOSPDCFV-HBMCJLEFSA-N 1 3 355.526 2.939 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)CC[N@H+]1C ZINC000981200658 976339589 /nfs/dbraw/zinc/33/95/89/976339589.db2.gz XUDYECPOSPDCFV-HBMCJLEFSA-N 1 3 355.526 2.939 20 0 FFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793615 977039426 /nfs/dbraw/zinc/03/94/26/977039426.db2.gz GZBZCKANPUSWTG-CRAIPNDOSA-N 1 3 365.481 2.684 20 0 FFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793615 977039434 /nfs/dbraw/zinc/03/94/34/977039434.db2.gz GZBZCKANPUSWTG-CRAIPNDOSA-N 1 3 365.481 2.684 20 0 FFADHO COC(=O)c1ccc(C)c(-c2cccc(NC(=N)NCCCC[NH3+])n2)c1 ZINC001167884265 977241004 /nfs/dbraw/zinc/24/10/04/977241004.db2.gz UKETYAXFLUDCLM-UHFFFAOYSA-N 1 3 355.442 2.519 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438850884 977450558 /nfs/dbraw/zinc/45/05/58/977450558.db2.gz IXQHODUEKMWREB-IAGOWNOFSA-N 1 3 361.534 2.637 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)[C@H]1c1ccccc1 ZINC000893878394 977579741 /nfs/dbraw/zinc/57/97/41/977579741.db2.gz QPUVVIIZNAXUNZ-VQTJNVASSA-N 1 3 356.514 2.748 20 0 FFADHO CC(C)=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087443604 977583964 /nfs/dbraw/zinc/58/39/64/977583964.db2.gz VKVYPTLKMKXIES-NJDAHSKKSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087443604 977583971 /nfs/dbraw/zinc/58/39/71/977583971.db2.gz VKVYPTLKMKXIES-NJDAHSKKSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)/C=C\[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000876897176 1014412739 /nfs/dbraw/zinc/41/27/39/1014412739.db2.gz QKHDICNYOLVLRV-GIFJBRJJSA-N 1 3 356.514 2.711 20 0 FFADHO Cc1cn[nH]c1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000645198131 977941821 /nfs/dbraw/zinc/94/18/21/977941821.db2.gz WJGASNRSVFQFIE-LJQANCHMSA-N 1 3 354.498 2.737 20 0 FFADHO Cc1cn[nH]c1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000645198131 977941828 /nfs/dbraw/zinc/94/18/28/977941828.db2.gz WJGASNRSVFQFIE-LJQANCHMSA-N 1 3 354.498 2.737 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cccc(C(F)F)c3)C2)CC[N@@H+]1C ZINC001028549658 978028000 /nfs/dbraw/zinc/02/80/00/978028000.db2.gz UMPDIRSRMLTZDQ-QGPMSJSTSA-N 1 3 365.468 2.903 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cccc(C(F)F)c3)C2)CC[N@H+]1C ZINC001028549658 978028007 /nfs/dbraw/zinc/02/80/07/978028007.db2.gz UMPDIRSRMLTZDQ-QGPMSJSTSA-N 1 3 365.468 2.903 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC)CC[C@@H]2c2ccc(F)cc2)CC[N@@H+]1C ZINC001087465600 978331598 /nfs/dbraw/zinc/33/15/98/978331598.db2.gz YMVDCECUHYECPO-IYWMVGAKSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC)CC[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC001087465600 978331610 /nfs/dbraw/zinc/33/16/10/978331610.db2.gz YMVDCECUHYECPO-IYWMVGAKSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2ccc(C)c(OC)c2)CC[N@@H+]1C ZINC001268732012 978380160 /nfs/dbraw/zinc/38/01/60/978380160.db2.gz SPCRFSXRNIDAKI-YTQUADARSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2ccc(C)c(OC)c2)CC[N@H+]1C ZINC001268732012 978380168 /nfs/dbraw/zinc/38/01/68/978380168.db2.gz SPCRFSXRNIDAKI-YTQUADARSA-N 1 3 361.530 2.670 20 0 FFADHO Cc1ncc(CN[C@H]2CCCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001088317194 979134073 /nfs/dbraw/zinc/13/40/73/979134073.db2.gz VIHQDLRNAYDLQH-UWWQBHOKSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ncc(CN[C@H]2CCCCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001088317194 979134077 /nfs/dbraw/zinc/13/40/77/979134077.db2.gz VIHQDLRNAYDLQH-UWWQBHOKSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCc4ccsc4)C[C@H]32)C1 ZINC001076242772 979275218 /nfs/dbraw/zinc/27/52/18/979275218.db2.gz QXFIHJJCGOZBDK-NZSAHSFTSA-N 1 3 361.555 2.555 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCc4ccsc4)C[C@H]32)C1 ZINC001076242772 979275224 /nfs/dbraw/zinc/27/52/24/979275224.db2.gz QXFIHJJCGOZBDK-NZSAHSFTSA-N 1 3 361.555 2.555 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)[NH+]1CCCCCC1 ZINC001076324286 979383895 /nfs/dbraw/zinc/38/38/95/979383895.db2.gz QQIFFZZOJHROKJ-HLAWJBBLSA-N 1 3 355.526 2.984 20 0 FFADHO NC1(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)Cc2ccccc2C1 ZINC000877450062 1014587556 /nfs/dbraw/zinc/58/75/56/1014587556.db2.gz XCLVLAOXMLEVFU-UZLBHIALSA-N 1 3 355.526 2.629 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCc3ccccc3F)[C@@H]2C)CC[N@@H+]1C ZINC001088579483 981290360 /nfs/dbraw/zinc/29/03/60/981290360.db2.gz KDYOYRJKVLAULB-DJABAAGCSA-N 1 3 361.505 2.678 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCc3ccccc3F)[C@@H]2C)CC[N@H+]1C ZINC001088579483 981290365 /nfs/dbraw/zinc/29/03/65/981290365.db2.gz KDYOYRJKVLAULB-DJABAAGCSA-N 1 3 361.505 2.678 20 0 FFADHO CCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000666736466 981298545 /nfs/dbraw/zinc/29/85/45/981298545.db2.gz MIKLKZGFDVDXPP-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO CCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000666736466 981298552 /nfs/dbraw/zinc/29/85/52/981298552.db2.gz MIKLKZGFDVDXPP-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCOC2CCCCCC2)CC[N@@H+]1C ZINC001483340862 981784582 /nfs/dbraw/zinc/78/45/82/981784582.db2.gz XCGPBYSJTJRAJR-YZGWKJHDSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCOC2CCCCCC2)CC[N@H+]1C ZINC001483340862 981784588 /nfs/dbraw/zinc/78/45/88/981784588.db2.gz XCGPBYSJTJRAJR-YZGWKJHDSA-N 1 3 367.578 2.893 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC000666920562 982824099 /nfs/dbraw/zinc/82/40/99/982824099.db2.gz XZWIWKNDJLDYNM-IBGZPJMESA-N 1 3 353.470 2.531 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC000666920562 982824123 /nfs/dbraw/zinc/82/41/23/982824123.db2.gz XZWIWKNDJLDYNM-IBGZPJMESA-N 1 3 353.470 2.531 20 0 FFADHO C[NH+](C)C1CCC(N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 ZINC001168327857 982931531 /nfs/dbraw/zinc/93/15/31/982931531.db2.gz RLUPULWDGGEIJS-NTFDOXNWSA-N 1 3 369.509 2.509 20 0 FFADHO CCc1ccccc1CN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702950 983019866 /nfs/dbraw/zinc/01/98/66/983019866.db2.gz SRUMLYIBQZXXBG-XLIONFOSSA-N 1 3 355.526 2.956 20 0 FFADHO CC[C@@H](C(=O)Nc1ccc(C)cc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000878312380 1014982384 /nfs/dbraw/zinc/98/23/84/1014982384.db2.gz LNWAGJXZNZQXSA-FQEVSTJZSA-N 1 3 360.546 2.670 20 0 FFADHO N[C@@H](c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1)C1CCOCC1 ZINC000641179407 984386612 /nfs/dbraw/zinc/38/66/12/984386612.db2.gz KLXSXMRXYDZYHT-OAQYLSRUSA-N 1 3 369.513 2.739 20 0 FFADHO C[C@H](NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nc2ccccc2o1 ZINC000996605186 984432562 /nfs/dbraw/zinc/43/25/62/984432562.db2.gz BOGCXQJGTCPLTO-ZMSDIMECSA-N 1 3 370.497 2.810 20 0 FFADHO C[C@H](NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nc2ccccc2o1 ZINC000996605186 984432566 /nfs/dbraw/zinc/43/25/66/984432566.db2.gz BOGCXQJGTCPLTO-ZMSDIMECSA-N 1 3 370.497 2.810 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2)C1CC1 ZINC001107438536 984539392 /nfs/dbraw/zinc/53/93/92/984539392.db2.gz DPOKYGIFXKHNAC-BFYDXBDKSA-N 1 3 361.452 2.640 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2)C1CC1 ZINC001107438536 984539395 /nfs/dbraw/zinc/53/93/95/984539395.db2.gz DPOKYGIFXKHNAC-BFYDXBDKSA-N 1 3 361.452 2.640 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000669419022 984559701 /nfs/dbraw/zinc/55/97/01/984559701.db2.gz YYOIUVRJMLNINJ-FQEVSTJZSA-N 1 3 352.482 2.700 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534034 984643254 /nfs/dbraw/zinc/64/32/54/984643254.db2.gz UAINIRKPFYQUGH-SFHLNBCPSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534034 984643257 /nfs/dbraw/zinc/64/32/57/984643257.db2.gz UAINIRKPFYQUGH-SFHLNBCPSA-N 1 3 367.578 2.749 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000669483918 984650634 /nfs/dbraw/zinc/65/06/34/984650634.db2.gz SFFKKELQMSDPAC-SXLOBPIMSA-N 1 3 358.530 2.901 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2 ZINC001107582207 984731785 /nfs/dbraw/zinc/73/17/85/984731785.db2.gz XISBTAWZOBQDKA-SJLPKXTDSA-N 1 3 357.489 2.734 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2 ZINC001107582207 984731791 /nfs/dbraw/zinc/73/17/91/984731791.db2.gz XISBTAWZOBQDKA-SJLPKXTDSA-N 1 3 357.489 2.734 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CN1Cc1ccccc1 ZINC000669528943 984734979 /nfs/dbraw/zinc/73/49/79/984734979.db2.gz VHZHLCJVXXVRHG-KKSFZXQISA-N 1 3 364.493 2.752 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669552638 984771384 /nfs/dbraw/zinc/77/13/84/984771384.db2.gz LGUVWDMUQYXIIV-GIVPXCGWSA-N 1 3 372.557 2.928 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000764919627 984807323 /nfs/dbraw/zinc/80/73/23/984807323.db2.gz JYKBRQHQZACLFT-GOSISDBHSA-N 1 3 355.530 2.859 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCc2cccc(C)c2)CC[N@@H+]1C ZINC001032413088 985278331 /nfs/dbraw/zinc/27/83/31/985278331.db2.gz BILCPCFHRUJMMD-MYGLTJDJSA-N 1 3 369.553 2.943 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCc2cccc(C)c2)CC[N@H+]1C ZINC001032413088 985278339 /nfs/dbraw/zinc/27/83/39/985278339.db2.gz BILCPCFHRUJMMD-MYGLTJDJSA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000045121354 985866213 /nfs/dbraw/zinc/86/62/13/985866213.db2.gz KEBNIOPDILYDNZ-UHFFFAOYSA-N 1 3 358.530 2.698 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC001089038998 986054484 /nfs/dbraw/zinc/05/44/84/986054484.db2.gz SFOFNPALBQDPGQ-KMFMINBZSA-N 1 3 369.431 2.736 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC001089038998 986054495 /nfs/dbraw/zinc/05/44/95/986054495.db2.gz SFOFNPALBQDPGQ-KMFMINBZSA-N 1 3 369.431 2.736 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCN1CCOC1CCC1 ZINC001089058964 986137241 /nfs/dbraw/zinc/13/72/41/986137241.db2.gz SHFHWLYGHDIBED-UZLBHIALSA-N 1 3 359.514 2.510 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@H]1Cc2cccc(Cl)c2C1 ZINC001168704730 987829904 /nfs/dbraw/zinc/82/99/04/987829904.db2.gz OYJPBUWFKRVAJH-XJKSGUPXSA-N 1 3 353.894 2.987 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccccc2F)[C@H](C)C1)N(C)C ZINC001106281767 987838400 /nfs/dbraw/zinc/83/84/00/987838400.db2.gz BPAKRNLYDWERCN-POAQFYNOSA-N 1 3 363.521 2.639 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1)N(C)C ZINC001106312422 987946257 /nfs/dbraw/zinc/94/62/57/987946257.db2.gz GTCXLTGBSHEZBF-IDHHARJASA-N 1 3 367.484 2.532 20 0 FFADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1nc2ccccc2o1 ZINC001106626980 988531838 /nfs/dbraw/zinc/53/18/38/988531838.db2.gz QGNXHZSNZOPJGE-BZUAXINKSA-N 1 3 358.486 2.525 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC000922391715 988549779 /nfs/dbraw/zinc/54/97/79/988549779.db2.gz YPIHCYNSMRNRKE-MTNOOBJLSA-N 1 3 372.431 2.996 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC000922391715 988549785 /nfs/dbraw/zinc/54/97/85/988549785.db2.gz YPIHCYNSMRNRKE-MTNOOBJLSA-N 1 3 372.431 2.996 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106666920 988609727 /nfs/dbraw/zinc/60/97/27/988609727.db2.gz ZXMALLXFDMAITD-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2C)[C@H](C)C1)N(C)C ZINC001106673813 988617555 /nfs/dbraw/zinc/61/75/55/988617555.db2.gz MSNCFSUGLHEREM-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000193729507 988868712 /nfs/dbraw/zinc/86/87/12/988868712.db2.gz VYSVXEPKQCBQPE-NRFANRHFSA-N 1 3 370.541 2.825 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC001106783315 989043005 /nfs/dbraw/zinc/04/30/05/989043005.db2.gz MGXKTXLTIMZWKN-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC001106784284 989045217 /nfs/dbraw/zinc/04/52/17/989045217.db2.gz FRGVIODJZJKAAW-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC001106784947 989056608 /nfs/dbraw/zinc/05/66/08/989056608.db2.gz PFOZNYSBRVZXQO-VQIMIIECSA-N 1 3 356.514 2.694 20 0 FFADHO C[C@@H]1C[C@H](NCc2ccc(CC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000674335909 989663798 /nfs/dbraw/zinc/66/37/98/989663798.db2.gz SKQLOEUOOGODAS-DYESRHJHSA-N 1 3 351.494 2.857 20 0 FFADHO C[C@@H]1C[C@H](NCc2ccc(CC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000674335909 989663802 /nfs/dbraw/zinc/66/38/02/989663802.db2.gz SKQLOEUOOGODAS-DYESRHJHSA-N 1 3 351.494 2.857 20 0 FFADHO COc1ccc(OC)c([C@@H](O)CNCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000917006464 990092025 /nfs/dbraw/zinc/09/20/25/990092025.db2.gz VWBHMYGVOVUFFO-NRFANRHFSA-N 1 3 370.493 2.775 20 0 FFADHO COc1ccc(OC)c([C@@H](O)CNCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000917006464 990092034 /nfs/dbraw/zinc/09/20/34/990092034.db2.gz VWBHMYGVOVUFFO-NRFANRHFSA-N 1 3 370.493 2.775 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000675193884 990103137 /nfs/dbraw/zinc/10/31/37/990103137.db2.gz HPFSDIUANRAEQW-QGZVFWFLSA-N 1 3 362.518 2.760 20 0 FFADHO CC(C)c1cccc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034940301 990323518 /nfs/dbraw/zinc/32/35/18/990323518.db2.gz ZIUCSJGWZFSPPF-BHIYHBOVSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)c1cccc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034940301 990323523 /nfs/dbraw/zinc/32/35/23/990323523.db2.gz ZIUCSJGWZFSPPF-BHIYHBOVSA-N 1 3 358.530 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001034940666 990324984 /nfs/dbraw/zinc/32/49/84/990324984.db2.gz BEFWGHGWHJKBQR-JTDSTZFVSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001034940666 990324991 /nfs/dbraw/zinc/32/49/91/990324991.db2.gz BEFWGHGWHJKBQR-JTDSTZFVSA-N 1 3 365.468 2.776 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000920309674 990830174 /nfs/dbraw/zinc/83/01/74/990830174.db2.gz KFNOXYDGCHHJQR-WOJBJXKFSA-N 1 3 372.582 2.742 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000920309674 990830179 /nfs/dbraw/zinc/83/01/79/990830179.db2.gz KFNOXYDGCHHJQR-WOJBJXKFSA-N 1 3 372.582 2.742 20 0 FFADHO CN1CCN(C2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)CC1 ZINC000879593031 1015600304 /nfs/dbraw/zinc/60/03/04/1015600304.db2.gz TXQPKINHOWKFCZ-UHFFFAOYSA-N 1 3 371.447 2.796 20 0 FFADHO Cc1c(-c2cc(CN3CCC([C@H]4CCC[NH2+]CC4)CC3)on2)cnn1C ZINC000923507504 991198581 /nfs/dbraw/zinc/19/85/81/991198581.db2.gz OSCOHBQTBIIWGG-INIZCTEOSA-N 1 3 357.502 2.985 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001212281994 991484491 /nfs/dbraw/zinc/48/44/91/991484491.db2.gz GHIULPXYXZFVRW-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001212281994 991484496 /nfs/dbraw/zinc/48/44/96/991484496.db2.gz GHIULPXYXZFVRW-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccccc2Cl)[C@H](C)C1 ZINC001106910970 991542209 /nfs/dbraw/zinc/54/22/09/991542209.db2.gz YDUHDOKIQGBIJQ-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000380444518 991687378 /nfs/dbraw/zinc/68/73/78/991687378.db2.gz CSCKLPXZIWIYIS-KNKQGSTJSA-N 1 3 373.541 2.547 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000380444518 991687383 /nfs/dbraw/zinc/68/73/83/991687383.db2.gz CSCKLPXZIWIYIS-KNKQGSTJSA-N 1 3 373.541 2.547 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079159291 991862658 /nfs/dbraw/zinc/86/26/58/991862658.db2.gz UQEXYKPMZUBPAJ-RBUKOAKNSA-N 1 3 361.505 2.852 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CCNC(=O)C2CC2)cc1CN1CCCCC1 ZINC000182216693 991985035 /nfs/dbraw/zinc/98/50/35/991985035.db2.gz CRKAOWXHTCVSGD-INIZCTEOSA-N 1 3 359.514 2.858 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CC2)C1 ZINC001079311189 992012377 /nfs/dbraw/zinc/01/23/77/992012377.db2.gz STBZWOFQCGBLGN-ZAAXVRCTSA-N 1 3 359.489 2.604 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001079494349 992160348 /nfs/dbraw/zinc/16/03/48/992160348.db2.gz ATOOULHQXCJXSD-YSGRDPCXSA-N 1 3 358.530 2.544 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001079494349 992160357 /nfs/dbraw/zinc/16/03/57/992160357.db2.gz ATOOULHQXCJXSD-YSGRDPCXSA-N 1 3 358.530 2.544 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001079494349 992160366 /nfs/dbraw/zinc/16/03/66/992160366.db2.gz ATOOULHQXCJXSD-YSGRDPCXSA-N 1 3 358.530 2.544 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001079681579 992306641 /nfs/dbraw/zinc/30/66/41/992306641.db2.gz RRTPGLJUBQJFNO-YHYVQYDKSA-N 1 3 369.553 2.985 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001079681579 992306647 /nfs/dbraw/zinc/30/66/47/992306647.db2.gz RRTPGLJUBQJFNO-YHYVQYDKSA-N 1 3 369.553 2.985 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710710 992351979 /nfs/dbraw/zinc/35/19/79/992351979.db2.gz SWEPOYGYMYAYIG-CDHQVMDDSA-N 1 3 367.493 2.711 20 0 FFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)ccc1OC ZINC000183314811 992417231 /nfs/dbraw/zinc/41/72/31/992417231.db2.gz QSJWNXVFNHSWFP-CRAIPNDOSA-N 1 3 359.514 2.951 20 0 FFADHO C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254992 992892967 /nfs/dbraw/zinc/89/29/67/992892967.db2.gz LQKGPPRIURCTOY-OWCLPIDISA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254992 992892972 /nfs/dbraw/zinc/89/29/72/992892972.db2.gz LQKGPPRIURCTOY-OWCLPIDISA-N 1 3 357.489 2.733 20 0 FFADHO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001107042569 993295861 /nfs/dbraw/zinc/29/58/61/993295861.db2.gz SGOSYHDSBJKQNV-ZHALLVOQSA-N 1 3 361.530 2.781 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC001107042484 993296523 /nfs/dbraw/zinc/29/65/23/993296523.db2.gz OGOOFEGXLJIOTM-GDBMZVCRSA-N 1 3 367.921 2.570 20 0 FFADHO Cc1ccc(CCC[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001107040054 993300497 /nfs/dbraw/zinc/30/04/97/993300497.db2.gz BQHWZJQSKXYLDQ-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787878 993374149 /nfs/dbraw/zinc/37/41/49/993374149.db2.gz WJQBOAYKVHOGEU-CRAIPNDOSA-N 1 3 369.534 2.934 20 0 FFADHO CC(C)(C)[NH2+]CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001116102112 1032127003 /nfs/dbraw/zinc/12/70/03/1032127003.db2.gz VLPRNDKQIXXFSL-UHFFFAOYSA-N 1 3 367.921 2.688 20 0 FFADHO C[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)CCN1c1cc[nH+]cc1 ZINC000880260347 1015792280 /nfs/dbraw/zinc/79/22/80/1015792280.db2.gz BIVNHRPKURKEQU-MRXNPFEDSA-N 1 3 370.522 2.629 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001131516928 994345985 /nfs/dbraw/zinc/34/59/85/994345985.db2.gz AMMKAVAGTPIRMM-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001131512040 994354249 /nfs/dbraw/zinc/35/42/49/994354249.db2.gz KIIAXLHHJAWAOR-SCWSEQNSSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CC[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000880500733 1015857530 /nfs/dbraw/zinc/85/75/30/1015857530.db2.gz VEMQVYMZHNWDBV-FCEUIQTBSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CC[C@H]3CCC[N@H+]3C)C2)O1 ZINC000880500733 1015857536 /nfs/dbraw/zinc/85/75/36/1015857536.db2.gz VEMQVYMZHNWDBV-FCEUIQTBSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCc1ccccc1 ZINC001082511740 994758914 /nfs/dbraw/zinc/75/89/14/994758914.db2.gz OFBIOLHISCOOPK-UYAOXDASSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000810709863 994895641 /nfs/dbraw/zinc/89/56/41/994895641.db2.gz BOPPUXFHAVMPPF-RXVVDRJESA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000810709863 994895651 /nfs/dbraw/zinc/89/56/51/994895651.db2.gz BOPPUXFHAVMPPF-RXVVDRJESA-N 1 3 361.505 2.837 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001082557686 994927312 /nfs/dbraw/zinc/92/73/12/994927312.db2.gz ZGQJKAMSKAMKGY-LVCYWYKZSA-N 1 3 369.553 2.712 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC001082557603 994928389 /nfs/dbraw/zinc/92/83/89/994928389.db2.gz SFUBEYSGQGRJTL-LSTHTHJFSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccccc1OC1CC1 ZINC001082561709 994944593 /nfs/dbraw/zinc/94/45/93/994944593.db2.gz LSBRHOUMLNZNML-OXQOHEQNSA-N 1 3 371.525 2.649 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001086694375 995128232 /nfs/dbraw/zinc/12/82/32/995128232.db2.gz OXOUFIQDVJQJNX-ZCNNSNEGSA-N 1 3 365.562 2.550 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086695098 995153565 /nfs/dbraw/zinc/15/35/65/995153565.db2.gz BEJZPXSFJNIZOC-BBWFWOEESA-N 1 3 364.559 2.699 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(C)ns3)C2)C1 ZINC001082698693 995294344 /nfs/dbraw/zinc/29/43/44/995294344.db2.gz VVMAJEJZCHRBOR-UWWQBHOKSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(C)ns3)C2)C1 ZINC001082698693 995294353 /nfs/dbraw/zinc/29/43/53/995294353.db2.gz VVMAJEJZCHRBOR-UWWQBHOKSA-N 1 3 364.559 2.510 20 0 FFADHO O=C(OCCC[NH+]1CCCCC1)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000747758889 995318860 /nfs/dbraw/zinc/31/88/60/995318860.db2.gz ROSOMZIRJDOPHA-HNNXBMFYSA-N 1 3 366.408 2.737 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c(Cl)c1 ZINC001082719675 995349045 /nfs/dbraw/zinc/34/90/45/995349045.db2.gz BVIIAONZZPXICZ-DNVCBOLYSA-N 1 3 363.933 2.927 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001082741370 995394913 /nfs/dbraw/zinc/39/49/13/995394913.db2.gz YTQMLNHCVXMXCF-GQIGUUNPSA-N 1 3 354.498 2.589 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082742738 995399869 /nfs/dbraw/zinc/39/98/69/995399869.db2.gz PTPRNUGRLHDCFI-GPMSIDNRSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082742738 995399875 /nfs/dbraw/zinc/39/98/75/995399875.db2.gz PTPRNUGRLHDCFI-GPMSIDNRSA-N 1 3 363.933 2.927 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC001082744240 995404151 /nfs/dbraw/zinc/40/41/51/995404151.db2.gz ZCQJAVDJYXLUPH-NVXWUHKLSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)cc2c1 ZINC000903506230 1015941908 /nfs/dbraw/zinc/94/19/08/1015941908.db2.gz PRCHWEILNPTNGE-OYRHEFFESA-N 1 3 350.510 2.944 20 0 FFADHO Cc1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)cc2c1 ZINC000903506230 1015941913 /nfs/dbraw/zinc/94/19/13/1015941913.db2.gz PRCHWEILNPTNGE-OYRHEFFESA-N 1 3 350.510 2.944 20 0 FFADHO Cc1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)cc2c1 ZINC000903506230 1015941921 /nfs/dbraw/zinc/94/19/21/1015941921.db2.gz PRCHWEILNPTNGE-OYRHEFFESA-N 1 3 350.510 2.944 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001082766580 995450265 /nfs/dbraw/zinc/45/02/65/995450265.db2.gz IFCVVQXGWSVWRO-NXOUGTEYSA-N 1 3 358.873 2.730 20 0 FFADHO CSc1nc(C2C[NH2+]C2)cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001170680524 995465042 /nfs/dbraw/zinc/46/50/42/995465042.db2.gz WRBQSAWHAGXWQX-LBPRGKRZSA-N 1 3 366.494 2.758 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)CC[N@@H+]1C ZINC001054133784 1015946265 /nfs/dbraw/zinc/94/62/65/1015946265.db2.gz MKYSRCWOXWYZPG-VWPQPMDRSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)CC[N@H+]1C ZINC001054133784 1015946274 /nfs/dbraw/zinc/94/62/74/1015946274.db2.gz MKYSRCWOXWYZPG-VWPQPMDRSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]Cc1ccccc1 ZINC001082942540 995879155 /nfs/dbraw/zinc/87/91/55/995879155.db2.gz JAHDDSJQJQNXNS-DYESRHJHSA-N 1 3 351.494 2.999 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2cnccc2C)CC[N@@H+]1C ZINC001049479529 1016002146 /nfs/dbraw/zinc/00/21/46/1016002146.db2.gz AJPMJXQGXXJBBF-WOZUAGRISA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2cnccc2C)CC[N@H+]1C ZINC001049479529 1016002153 /nfs/dbraw/zinc/00/21/53/1016002153.db2.gz AJPMJXQGXXJBBF-WOZUAGRISA-N 1 3 370.541 2.686 20 0 FFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084545240 996665659 /nfs/dbraw/zinc/66/56/59/996665659.db2.gz ASZKFXMSEPOYPU-VSKRKVRLSA-N 1 3 367.537 2.636 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]3C2)c1 ZINC001084639171 996744118 /nfs/dbraw/zinc/74/41/18/996744118.db2.gz HMUOOVSEASRCHW-HMXCVIKNSA-N 1 3 357.542 2.922 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]3C2)c1 ZINC001084639171 996744123 /nfs/dbraw/zinc/74/41/23/996744123.db2.gz HMUOOVSEASRCHW-HMXCVIKNSA-N 1 3 357.542 2.922 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001084775940 997286490 /nfs/dbraw/zinc/28/64/90/997286490.db2.gz ZSNAGXUILBIQKO-PWRODBHTSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001084775940 997286500 /nfs/dbraw/zinc/28/65/00/997286500.db2.gz ZSNAGXUILBIQKO-PWRODBHTSA-N 1 3 355.526 2.624 20 0 FFADHO C[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000844050957 997627576 /nfs/dbraw/zinc/62/75/76/997627576.db2.gz OKMZFFVSDIFHKG-LQWHRVPQSA-N 1 3 361.505 2.661 20 0 FFADHO C[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000844050957 997627582 /nfs/dbraw/zinc/62/75/82/997627582.db2.gz OKMZFFVSDIFHKG-LQWHRVPQSA-N 1 3 361.505 2.661 20 0 FFADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000844164340 997689860 /nfs/dbraw/zinc/68/98/60/997689860.db2.gz ZJIPWSKTHXKSRQ-HXUWFJFHSA-N 1 3 364.493 2.732 20 0 FFADHO CC[C@H](C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)N(CC)CC ZINC000844163723 997705973 /nfs/dbraw/zinc/70/59/73/997705973.db2.gz VMSQIXXDDYEBNY-QZTJIDSGSA-N 1 3 361.486 2.654 20 0 FFADHO O=C1[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CN1CN1CC[C@H](C2CC2)C1 ZINC000844697676 998105087 /nfs/dbraw/zinc/10/50/87/998105087.db2.gz IWCRBNXPHVDDQC-ACRUOGEOSA-N 1 3 353.510 2.656 20 0 FFADHO O=C1[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CN1CN1CC[C@H](C2CC2)C1 ZINC000844697676 998105092 /nfs/dbraw/zinc/10/50/92/998105092.db2.gz IWCRBNXPHVDDQC-ACRUOGEOSA-N 1 3 353.510 2.656 20 0 FFADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001273249690 998531597 /nfs/dbraw/zinc/53/15/97/998531597.db2.gz ZBVPVNDJGWGZHQ-OAHLLOKOSA-N 1 3 361.452 2.595 20 0 FFADHO CC[N@H+]1CCC[C@@H](C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001273249690 998531604 /nfs/dbraw/zinc/53/16/04/998531604.db2.gz ZBVPVNDJGWGZHQ-OAHLLOKOSA-N 1 3 361.452 2.595 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)CC1 ZINC001085022467 998692202 /nfs/dbraw/zinc/69/22/02/998692202.db2.gz JPPSLFRYTTVCOL-XLIONFOSSA-N 1 3 359.489 2.590 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3CC[N@H+](CC4CCC4)[C@H]3C2)C1 ZINC001085033144 998724672 /nfs/dbraw/zinc/72/46/72/998724672.db2.gz SBOVQMDJDDWKRG-LQWHRVPQSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3CC[N@@H+](CC4CCC4)[C@H]3C2)C1 ZINC001085033144 998724674 /nfs/dbraw/zinc/72/46/74/998724674.db2.gz SBOVQMDJDDWKRG-LQWHRVPQSA-N 1 3 365.537 2.922 20 0 FFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092703 998923954 /nfs/dbraw/zinc/92/39/54/998923954.db2.gz MPDMRHCOVZYKIK-UWVAXJGDSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092703 998923957 /nfs/dbraw/zinc/92/39/57/998923957.db2.gz MPDMRHCOVZYKIK-UWVAXJGDSA-N 1 3 359.489 2.509 20 0 FFADHO COc1ccc(C2CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)cc1 ZINC000903902780 1016297534 /nfs/dbraw/zinc/29/75/34/1016297534.db2.gz CCTBUXPQNMOPBE-KRWDZBQOSA-N 1 3 356.514 2.734 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1)[NH+]1CCCC1 ZINC001085295302 999312593 /nfs/dbraw/zinc/31/25/93/999312593.db2.gz AATVDPQGCDRTOP-QZTJIDSGSA-N 1 3 362.493 2.612 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2F)CC1 ZINC001085319806 999357025 /nfs/dbraw/zinc/35/70/25/999357025.db2.gz PILJCWUYWQVLFD-RTBURBONSA-N 1 3 365.468 2.824 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CNCCOc2cccc(C(C)(C)C)c2)cnn1C ZINC000903925582 1016309558 /nfs/dbraw/zinc/30/95/58/1016309558.db2.gz OEPOZPBAUSXJBE-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001085332580 999379096 /nfs/dbraw/zinc/37/90/96/999379096.db2.gz DFWCPIAVMAAUHM-USXIJHARSA-N 1 3 364.921 2.594 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1)N1CCCCCC1 ZINC001085352541 999406732 /nfs/dbraw/zinc/40/67/32/999406732.db2.gz LLVDTXSPMQQPMY-KBAYOESNSA-N 1 3 364.559 2.925 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001085380918 999432806 /nfs/dbraw/zinc/43/28/06/999432806.db2.gz YLUAMHFWJHVUDF-RTBURBONSA-N 1 3 362.518 2.620 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000741487339 999729591 /nfs/dbraw/zinc/72/95/91/999729591.db2.gz KBNUHWKSUXZYLB-XLIONFOSSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741487339 999729593 /nfs/dbraw/zinc/72/95/93/999729593.db2.gz KBNUHWKSUXZYLB-XLIONFOSSA-N 1 3 374.598 2.940 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCN(c3nccc(C(F)(F)F)n3)CC1)C2 ZINC001169142434 1000027359 /nfs/dbraw/zinc/02/73/59/1000027359.db2.gz UQCHGISZFQWDKM-FICVDOATSA-N 1 3 369.435 2.633 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCN(c3nccc(C(F)(F)F)n3)CC1)C2 ZINC001169142434 1000027361 /nfs/dbraw/zinc/02/73/61/1000027361.db2.gz UQCHGISZFQWDKM-FICVDOATSA-N 1 3 369.435 2.633 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CO1 ZINC001169409315 1000044451 /nfs/dbraw/zinc/04/44/51/1000044451.db2.gz GXMPQZLNQHSBEU-PMACEKPBSA-N 1 3 372.509 2.695 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CCN2CCCC2=O)cc1CN1CCCCC1 ZINC000846206006 1000219564 /nfs/dbraw/zinc/21/95/64/1000219564.db2.gz NPGJYTOFCFVTEB-KRWDZBQOSA-N 1 3 359.514 2.954 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)cc1CN1CCCCC1 ZINC000846192824 1000227009 /nfs/dbraw/zinc/22/70/09/1000227009.db2.gz JWMQKPACUHPQSW-DYESRHJHSA-N 1 3 362.514 2.873 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769516383 1000539866 /nfs/dbraw/zinc/53/98/66/1000539866.db2.gz UEENNGPPGWCVMY-ROUUACIJSA-N 1 3 369.550 2.819 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccnc(Cl)c2s1 ZINC001146981495 1000800412 /nfs/dbraw/zinc/80/04/12/1000800412.db2.gz CBDJDGVYOWBWEH-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccnc(Cl)c2s1 ZINC001146981495 1000800418 /nfs/dbraw/zinc/80/04/18/1000800418.db2.gz CBDJDGVYOWBWEH-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO Cc1ccc(OCCCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)cc1C ZINC001109672859 1000829080 /nfs/dbraw/zinc/82/90/80/1000829080.db2.gz WORJSGSZBCBXRX-GIVPXCGWSA-N 1 3 373.541 2.746 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN([C@@H]3CCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001000702545 1016444266 /nfs/dbraw/zinc/44/42/66/1016444266.db2.gz UISVUWYDDAAHHC-QFIXIFRTSA-N 1 3 371.500 2.902 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN([C@@H]3CCc4ccc(F)cc43)CC2)CC[N@H+]1C ZINC001000702545 1016444274 /nfs/dbraw/zinc/44/42/74/1016444274.db2.gz UISVUWYDDAAHHC-QFIXIFRTSA-N 1 3 371.500 2.902 20 0 FFADHO COc1ccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1C ZINC001000702150 1016444589 /nfs/dbraw/zinc/44/45/89/1016444589.db2.gz RAWXHZOTMDOBRD-YLJYHZDGSA-N 1 3 371.525 2.592 20 0 FFADHO COc1ccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1C ZINC001000702150 1016444595 /nfs/dbraw/zinc/44/45/95/1016444595.db2.gz RAWXHZOTMDOBRD-YLJYHZDGSA-N 1 3 371.525 2.592 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](C[C@@H]4CCC(F)(F)C4)C[C@@]3(C)C2)CCC1 ZINC001091735749 1001172536 /nfs/dbraw/zinc/17/25/36/1001172536.db2.gz WKKYJMMIDKVSFA-NUJGCVRESA-N 1 3 369.500 2.686 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](C[C@@H]4CCC(F)(F)C4)C[C@@]3(C)C2)CCC1 ZINC001091735749 1001172538 /nfs/dbraw/zinc/17/25/38/1001172538.db2.gz WKKYJMMIDKVSFA-NUJGCVRESA-N 1 3 369.500 2.686 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCc3cccs3)C[C@@]2(C)C1)N(C)C ZINC001091758644 1001228850 /nfs/dbraw/zinc/22/88/50/1001228850.db2.gz GOFIPQKGDCDPHT-KPFFTGBYSA-N 1 3 363.571 2.657 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCc3cccs3)C[C@@]2(C)C1)N(C)C ZINC001091758644 1001228857 /nfs/dbraw/zinc/22/88/57/1001228857.db2.gz GOFIPQKGDCDPHT-KPFFTGBYSA-N 1 3 363.571 2.657 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091760049 1001237759 /nfs/dbraw/zinc/23/77/59/1001237759.db2.gz RMJWCSRISSWKMP-GIWBLDEGSA-N 1 3 371.569 2.986 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091760049 1001237763 /nfs/dbraw/zinc/23/77/63/1001237763.db2.gz RMJWCSRISSWKMP-GIWBLDEGSA-N 1 3 371.569 2.986 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[NH+]3CCC(C)CC3)cc2)CC1 ZINC001149010675 1001244699 /nfs/dbraw/zinc/24/46/99/1001244699.db2.gz MSZKQZMULXSQKQ-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(C)cs2)C1 ZINC001112567506 1001498475 /nfs/dbraw/zinc/49/84/75/1001498475.db2.gz SYGTVIRRSNIDIA-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@]2(C)C1)N(C)C ZINC001092022118 1002298571 /nfs/dbraw/zinc/29/85/71/1002298571.db2.gz OEGLYHFRZOKTHJ-LMNJBCLMSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@@]2(C)C1)N(C)C ZINC001092022118 1002298578 /nfs/dbraw/zinc/29/85/78/1002298578.db2.gz OEGLYHFRZOKTHJ-LMNJBCLMSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCc3ccc(C)cc3)C[C@@]2(C)C1)N(C)C ZINC001092022204 1002302146 /nfs/dbraw/zinc/30/21/46/1002302146.db2.gz QPBYPECNOXAEJE-URVUXULASA-N 1 3 357.542 2.658 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@@]2(C)C1)N(C)C ZINC001092022204 1002302159 /nfs/dbraw/zinc/30/21/59/1002302159.db2.gz QPBYPECNOXAEJE-URVUXULASA-N 1 3 357.542 2.658 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](CCCc3ccc(F)cc3)CC2)C1=O ZINC001276265856 1016659413 /nfs/dbraw/zinc/65/94/13/1016659413.db2.gz BOKHQPQCMQUWBO-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO CC[C@H]1CC(N2CCN(CC[NH3+])CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170466266 1003834631 /nfs/dbraw/zinc/83/46/31/1003834631.db2.gz XCKXVASZPYQRLF-IRXDYDNUSA-N 1 3 368.566 2.519 20 0 FFADHO C[NH+](C)CCOc1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000678146293 1016831520 /nfs/dbraw/zinc/83/15/20/1016831520.db2.gz QFEKTYQPSLZXHH-UHFFFAOYSA-N 1 3 367.493 2.891 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncc4cc[nH]c4n3)c3ccccc23)CC1 ZINC001170524163 1004588102 /nfs/dbraw/zinc/58/81/02/1004588102.db2.gz GGPWKHFXCPKCEX-UHFFFAOYSA-N 1 3 360.465 2.819 20 0 FFADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(OCC2CC2)c(Cl)c1 ZINC001194213913 1004680256 /nfs/dbraw/zinc/68/02/56/1004680256.db2.gz UPWSPJGMBSTLGZ-UHFFFAOYSA-N 1 3 366.893 2.806 20 0 FFADHO CCCCCC[C@](O)(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC ZINC000851859985 1005918496 /nfs/dbraw/zinc/91/84/96/1005918496.db2.gz DBDIQVICFAMSBW-LMNJBCLMSA-N 1 3 366.546 2.810 20 0 FFADHO CCCCCC[C@](O)(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)OC ZINC000851859985 1005918499 /nfs/dbraw/zinc/91/84/99/1005918499.db2.gz DBDIQVICFAMSBW-LMNJBCLMSA-N 1 3 366.546 2.810 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001097085363 1017014329 /nfs/dbraw/zinc/01/43/29/1017014329.db2.gz DMYKYSKKPPFTPS-YSFYHYPLSA-N 1 3 367.537 2.867 20 0 FFADHO COc1ccc([C@@H](CNC(=O)C=C2CC[NH2+]CC2)N2CCCCC2)cc1 ZINC000852855248 1006209620 /nfs/dbraw/zinc/20/96/20/1006209620.db2.gz XKRAUXGXGBNHSJ-HXUWFJFHSA-N 1 3 357.498 2.648 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110660722 1006296306 /nfs/dbraw/zinc/29/63/06/1006296306.db2.gz HFHLMJDMRWKBLO-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110660722 1006296318 /nfs/dbraw/zinc/29/63/18/1006296318.db2.gz HFHLMJDMRWKBLO-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO CC(C)[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C)CC1 ZINC000075763256 1006332252 /nfs/dbraw/zinc/33/22/52/1006332252.db2.gz JIPXMZRNTHFFJI-QFIPXVFZSA-N 1 3 358.574 2.513 20 0 FFADHO CC[NH+](CC)CC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000883160935 1006679398 /nfs/dbraw/zinc/67/93/98/1006679398.db2.gz FMZPDNIKMNLELF-CSNJMZFVSA-N 1 3 369.550 2.599 20 0 FFADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000854245390 1006737108 /nfs/dbraw/zinc/73/71/08/1006737108.db2.gz KCMIXFFBUHKECX-LJQANCHMSA-N 1 3 360.546 2.675 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3C[NH2+]C)c(C)c2)CC1 ZINC000883524005 1006836370 /nfs/dbraw/zinc/83/63/70/1006836370.db2.gz LSAUCQOOAIEUNT-LJQANCHMSA-N 1 3 373.545 2.743 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312538 1007017294 /nfs/dbraw/zinc/01/72/94/1007017294.db2.gz UQEDDHSDMCGZHY-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312538 1007017306 /nfs/dbraw/zinc/01/73/06/1007017306.db2.gz UQEDDHSDMCGZHY-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@H](CCCCNCc1cc(C2CC2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861346 1007538906 /nfs/dbraw/zinc/53/89/06/1007538906.db2.gz CVYXVUDSNUMHKD-IIDMSEBBSA-N 1 3 362.518 2.657 20 0 FFADHO C[C@H](CCCCNCc1cc(C2CC2)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861346 1007538919 /nfs/dbraw/zinc/53/89/19/1007538919.db2.gz CVYXVUDSNUMHKD-IIDMSEBBSA-N 1 3 362.518 2.657 20 0 FFADHO COc1ccccc1[C@H](O)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817892713 1007799923 /nfs/dbraw/zinc/79/99/23/1007799923.db2.gz PFOZTHXCOGERAR-OPYAIIAOSA-N 1 3 354.450 2.574 20 0 FFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@@H]1COC2(CCCCC2)O1 ZINC000817917320 1007808772 /nfs/dbraw/zinc/80/87/72/1007808772.db2.gz AXUHQYXUUXLYOP-IMFGXOCKSA-N 1 3 358.482 2.908 20 0 FFADHO Cc1nn(C)c(C)c1CN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559543 1007889001 /nfs/dbraw/zinc/88/90/01/1007889001.db2.gz AZQKXEOEMLKFKY-FQEVSTJZSA-N 1 3 371.529 2.925 20 0 FFADHO Cc1nn(C)c(C)c1CN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559543 1007889007 /nfs/dbraw/zinc/88/90/07/1007889007.db2.gz AZQKXEOEMLKFKY-FQEVSTJZSA-N 1 3 371.529 2.925 20 0 FFADHO Cc1ncc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)o1 ZINC001086819910 1007894347 /nfs/dbraw/zinc/89/43/47/1007894347.db2.gz HCGDNFCBWGOKJI-SCTDSRPQSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)o1 ZINC001086819910 1007894356 /nfs/dbraw/zinc/89/43/56/1007894356.db2.gz HCGDNFCBWGOKJI-SCTDSRPQSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCCN3C(C)C)C2)o1 ZINC001086819910 1007894368 /nfs/dbraw/zinc/89/43/68/1007894368.db2.gz HCGDNFCBWGOKJI-SCTDSRPQSA-N 1 3 362.518 2.620 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CC[N@H+](CCCCn3ccnc3C)C2)ccn1 ZINC000856585259 1007898336 /nfs/dbraw/zinc/89/83/36/1007898336.db2.gz BUMYAQUFPIJVEJ-OAQYLSRUSA-N 1 3 371.529 2.972 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCn3ccnc3C)C2)ccn1 ZINC000856585259 1007898347 /nfs/dbraw/zinc/89/83/47/1007898347.db2.gz BUMYAQUFPIJVEJ-OAQYLSRUSA-N 1 3 371.529 2.972 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000818539838 1007935766 /nfs/dbraw/zinc/93/57/66/1007935766.db2.gz VSQDMTZKXTZIFA-MOPGFXCFSA-N 1 3 373.497 2.832 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccccc3)cc2)CC1 ZINC000818956434 1007994592 /nfs/dbraw/zinc/99/45/92/1007994592.db2.gz LPXXTMGRRNKPCX-QFIPXVFZSA-N 1 3 353.510 2.647 20 0 FFADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819059454 1008022701 /nfs/dbraw/zinc/02/27/01/1008022701.db2.gz CBWRJADVJGCGPE-MSOLQXFVSA-N 1 3 372.431 2.972 20 0 FFADHO Cc1ncoc1CN[C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086829731 1008203807 /nfs/dbraw/zinc/20/38/07/1008203807.db2.gz MSRBOPXTYUIDCJ-PKOBYXMFSA-N 1 3 370.497 2.733 20 0 FFADHO CCNC(=O)N1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000820823861 1008376705 /nfs/dbraw/zinc/37/67/05/1008376705.db2.gz PSMGMVDBBUAIFQ-WVVQBRDUSA-N 1 3 370.541 2.966 20 0 FFADHO CCNC(=O)N1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000820823861 1008376709 /nfs/dbraw/zinc/37/67/09/1008376709.db2.gz PSMGMVDBBUAIFQ-WVVQBRDUSA-N 1 3 370.541 2.966 20 0 FFADHO C[NH+]1CCC(CNC(=O)c2cccc3scnc32)(N2CCCCC2)CC1 ZINC000859643514 1008600626 /nfs/dbraw/zinc/60/06/26/1008600626.db2.gz FQRKJLDMUZDVKW-UHFFFAOYSA-N 1 3 372.538 2.976 20 0 FFADHO CC(C)[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000886524584 1008720152 /nfs/dbraw/zinc/72/01/52/1008720152.db2.gz MYHFEUPAMIJPSZ-NRFANRHFSA-N 1 3 356.514 2.864 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001178732088 1009107683 /nfs/dbraw/zinc/10/76/83/1009107683.db2.gz JDRMJNVSSVOASG-OXQOHEQNSA-N 1 3 362.477 2.990 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001178732088 1009107692 /nfs/dbraw/zinc/10/76/92/1009107692.db2.gz JDRMJNVSSVOASG-OXQOHEQNSA-N 1 3 362.477 2.990 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1c[nH]c2ccncc12 ZINC001178732088 1009107699 /nfs/dbraw/zinc/10/76/99/1009107699.db2.gz JDRMJNVSSVOASG-OXQOHEQNSA-N 1 3 362.477 2.990 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCc1c[nH]c2ccncc12 ZINC001178732088 1009107704 /nfs/dbraw/zinc/10/77/04/1009107704.db2.gz JDRMJNVSSVOASG-OXQOHEQNSA-N 1 3 362.477 2.990 20 0 FFADHO CC(=O)Nc1ccc2c(CN3CCC(CC[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000118868104 1009787918 /nfs/dbraw/zinc/78/79/18/1009787918.db2.gz PDSRCTSYKYBTDH-UHFFFAOYSA-N 1 3 371.481 2.915 20 0 FFADHO CC(C)(C)OC(=O)NC/C=C/C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001181417532 1010091401 /nfs/dbraw/zinc/09/14/01/1010091401.db2.gz BADWZSOJQKHXLI-AATRIKPKSA-N 1 3 367.534 2.690 20 0 FFADHO C[C@H](NC[C@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000794487892 1010115550 /nfs/dbraw/zinc/11/55/50/1010115550.db2.gz MSTLIEXLZNPIRZ-LZLYRXPVSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000794487892 1010115556 /nfs/dbraw/zinc/11/55/56/1010115556.db2.gz MSTLIEXLZNPIRZ-LZLYRXPVSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccc(F)cc1Cl ZINC001093673222 1010455679 /nfs/dbraw/zinc/45/56/79/1010455679.db2.gz MJSNHDUPLNUHEL-DDUZABMNSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1c(F)cccc1Cl ZINC001093672798 1010455786 /nfs/dbraw/zinc/45/57/86/1010455786.db2.gz DLAKVAZCMLGFDM-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cccc(F)c1Cl ZINC001093673778 1010457607 /nfs/dbraw/zinc/45/76/07/1010457607.db2.gz XSRMMELMMMZARY-UNEWFSDZSA-N 1 3 367.896 2.757 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cs1 ZINC001093839276 1010609722 /nfs/dbraw/zinc/60/97/22/1010609722.db2.gz HYHFLXMQRYZRIK-OLMNPRSZSA-N 1 3 351.560 2.827 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(C)C)n2)[C@H](C)C1)N(C)C ZINC001093858622 1010633556 /nfs/dbraw/zinc/63/35/56/1010633556.db2.gz DYHCIAWXZXMULN-MBOZVWFJSA-N 1 3 360.546 2.729 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1)N(C)C ZINC001093858906 1010635032 /nfs/dbraw/zinc/63/50/32/1010635032.db2.gz LUMPNXYQQPTBJR-MAODMQOUSA-N 1 3 357.542 2.700 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2OC)[C@H](C)C1)N(C)C ZINC001093859046 1010635060 /nfs/dbraw/zinc/63/50/60/1010635060.db2.gz MXXTZIQWPKYJJE-BHIYHBOVSA-N 1 3 361.530 2.528 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC001094041127 1010803028 /nfs/dbraw/zinc/80/30/28/1010803028.db2.gz WPWDRJOTZBPCEQ-HLLBOEOZSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC001094040764 1010803837 /nfs/dbraw/zinc/80/38/37/1010803837.db2.gz OICKOMMNHYESDK-JBYIUTFZSA-N 1 3 369.553 2.844 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC001094088611 1010848684 /nfs/dbraw/zinc/84/86/84/1010848684.db2.gz CZWGNDKDMRHFGV-KBAYOESNSA-N 1 3 371.516 2.979 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001094088658 1010849824 /nfs/dbraw/zinc/84/98/24/1010849824.db2.gz GHOWZGKJJIIUQC-ZACQAIPSSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001094088658 1010849828 /nfs/dbraw/zinc/84/98/28/1010849828.db2.gz GHOWZGKJJIIUQC-ZACQAIPSSA-N 1 3 364.559 2.590 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000868131147 1011177778 /nfs/dbraw/zinc/17/77/78/1011177778.db2.gz ZALMLICLHYJTQB-LMCOJAPRSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000868131147 1011177781 /nfs/dbraw/zinc/17/77/81/1011177781.db2.gz ZALMLICLHYJTQB-LMCOJAPRSA-N 1 3 356.514 2.558 20 0 FFADHO CCCN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCN(C)C1 ZINC000645154901 1011359817 /nfs/dbraw/zinc/35/98/17/1011359817.db2.gz UFDDZYBYHPGABJ-NRFANRHFSA-N 1 3 372.557 2.819 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171511071 1011363800 /nfs/dbraw/zinc/36/38/00/1011363800.db2.gz FYPJGVUCKDRZKL-OAHLLOKOSA-N 1 3 355.448 2.577 20 0 FFADHO C[NH+]1C(C)(C)CC(N2CCc3ncc(CN4CCCC4)n3CC2)CC1(C)C ZINC001171635215 1011420616 /nfs/dbraw/zinc/42/06/16/1011420616.db2.gz QLVMQNKFVAQTBX-UHFFFAOYSA-N 1 3 373.589 2.988 20 0 FFADHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)N3CCCC3)CC2)CC1(C)C ZINC001171640796 1011422761 /nfs/dbraw/zinc/42/27/61/1011422761.db2.gz JKKXQXGATMUNRZ-UHFFFAOYSA-N 1 3 350.551 2.908 20 0 FFADHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)N3CCCC3)CC2)CC1(C)C ZINC001171640796 1011422773 /nfs/dbraw/zinc/42/27/73/1011422773.db2.gz JKKXQXGATMUNRZ-UHFFFAOYSA-N 1 3 350.551 2.908 20 0 FFADHO COC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000645490691 1011502346 /nfs/dbraw/zinc/50/23/46/1011502346.db2.gz LWVZYKPNFBRSTM-SFTDATJTSA-N 1 3 358.526 2.930 20 0 FFADHO Cc1nc(=N)n([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1CN ZINC001172079519 1011614131 /nfs/dbraw/zinc/61/41/31/1011614131.db2.gz OSAHLUMVQXSXQM-PMOLBWCYSA-N 1 3 351.498 2.888 20 0 FFADHO Cc1nc(=N)n([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1CN ZINC001172079519 1011614138 /nfs/dbraw/zinc/61/41/38/1011614138.db2.gz OSAHLUMVQXSXQM-PMOLBWCYSA-N 1 3 351.498 2.888 20 0 FFADHO CCOC(=O)c1ncn2c1cccc2C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172114657 1011643471 /nfs/dbraw/zinc/64/34/71/1011643471.db2.gz RVJCNXVPRFAGFI-PHZGNYQRSA-N 1 3 356.470 2.616 20 0 FFADHO COC(=O)c1ccc(CN2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001172120993 1011654436 /nfs/dbraw/zinc/65/44/36/1011654436.db2.gz BBRJZQGXURXYCX-AERCQKQUSA-N 1 3 371.525 2.606 20 0 FFADHO COCCC[NH+]1CCC(NC2(c3ccc(OC)cc3)CCOCC2)CC1 ZINC001172248400 1011721178 /nfs/dbraw/zinc/72/11/78/1011721178.db2.gz GBXALPHXCWPZET-UHFFFAOYSA-N 1 3 362.514 2.791 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172714356 1011991056 /nfs/dbraw/zinc/99/10/56/1011991056.db2.gz XFHLQTFERGCHAP-HZPDHXFCSA-N 1 3 353.894 2.987 20 0 FFADHO C[C@H]1CC[C@@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173059875 1012216229 /nfs/dbraw/zinc/21/62/29/1012216229.db2.gz LKOUHVNVAPCJBZ-LUKYLMHMSA-N 1 3 367.534 2.745 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCNC(C)(C)C1 ZINC000647084168 1012370809 /nfs/dbraw/zinc/37/08/09/1012370809.db2.gz WECQRJVCFICJQL-KRWDZBQOSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCNC(C)(C)C1 ZINC000647084168 1012370832 /nfs/dbraw/zinc/37/08/32/1012370832.db2.gz WECQRJVCFICJQL-KRWDZBQOSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970671 1012647606 /nfs/dbraw/zinc/64/76/06/1012647606.db2.gz UJUWUROOVOJETP-AEFFLSMTSA-N 1 3 368.525 2.537 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975484 1012650512 /nfs/dbraw/zinc/65/05/12/1012650512.db2.gz AXHVZPUSQDGNON-FTEYMNFISA-N 1 3 371.525 2.727 20 0 FFADHO c1cc2n(n1)C[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc3ccccc3)C1)CN2 ZINC000648037134 1012675327 /nfs/dbraw/zinc/67/53/27/1012675327.db2.gz GVSFQVZCYCQBBN-PMACEKPBSA-N 1 3 353.514 2.817 20 0 FFADHO Fc1ccccc1CN1CCC(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173739445 1012931015 /nfs/dbraw/zinc/93/10/15/1012931015.db2.gz GRWLGJMZHRKHJQ-OALUTQOASA-N 1 3 372.492 2.798 20 0 FFADHO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(-n2cnnc2)c1 ZINC000924968410 1017567995 /nfs/dbraw/zinc/56/79/95/1017567995.db2.gz BHGBCTKEVZOBGL-QGZVFWFLSA-N 1 3 355.486 2.563 20 0 FFADHO COc1cc([C@H](C)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)on1 ZINC000924979204 1017570440 /nfs/dbraw/zinc/57/04/40/1017570440.db2.gz MQPDNOKSTMHDSC-MAUKXSAKSA-N 1 3 359.470 2.779 20 0 FFADHO NC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000925241196 1017673901 /nfs/dbraw/zinc/67/39/01/1017673901.db2.gz NJCAMVYZJQONEO-IHWFROFDSA-N 1 3 364.493 2.856 20 0 FFADHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000925441028 1017743397 /nfs/dbraw/zinc/74/33/97/1017743397.db2.gz WUJZSNJEWPSOMU-JTJHWIPRSA-N 1 3 362.562 2.919 20 0 FFADHO Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCCN1C ZINC000925666359 1017813286 /nfs/dbraw/zinc/81/32/86/1017813286.db2.gz RXNRSGHVSBCNQQ-QEUVDIPISA-N 1 3 359.562 2.561 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1Cn1cccn1 ZINC000925785359 1017847222 /nfs/dbraw/zinc/84/72/22/1017847222.db2.gz UGIICICCFYZHMQ-RHSMWYFYSA-N 1 3 364.440 2.835 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000925786167 1017848518 /nfs/dbraw/zinc/84/85/18/1017848518.db2.gz WKJRJJPCNBXZNT-GOEBONIOSA-N 1 3 364.440 2.895 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925840665 1017864552 /nfs/dbraw/zinc/86/45/52/1017864552.db2.gz JQNKAYFIRSQWRC-BOUXLOLZSA-N 1 3 361.486 2.543 20 0 FFADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(OC(F)(F)F)c1 ZINC000925856556 1017877681 /nfs/dbraw/zinc/87/76/81/1017877681.db2.gz SINLSURZRSVLJW-WFASDCNBSA-N 1 3 372.387 2.921 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C[NH3+])[C@@H](C)C3)c(C)c2)CC1 ZINC000925916570 1017901365 /nfs/dbraw/zinc/90/13/65/1017901365.db2.gz SCZIUOFPZYHWTG-ROUUACIJSA-N 1 3 373.545 2.586 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000925938137 1017912534 /nfs/dbraw/zinc/91/25/34/1017912534.db2.gz LWQFTYRDBHLTPA-OLZOCXBDSA-N 1 3 374.407 2.500 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000680913641 1018255038 /nfs/dbraw/zinc/25/50/38/1018255038.db2.gz FOFNZYWXSMFZJQ-HLIPFELVSA-N 1 3 358.530 2.536 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000681568539 1018534344 /nfs/dbraw/zinc/53/43/44/1018534344.db2.gz VSUXAHIYQUIYLY-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1C ZINC001110953955 1019183610 /nfs/dbraw/zinc/18/36/10/1019183610.db2.gz HLSYCBCMLSCYSD-AQNXPRMDSA-N 1 3 355.526 2.867 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1CC[C@H](C)CCCC(C)(C)O)CC[NH2+]CC2 ZINC001222216098 1032825621 /nfs/dbraw/zinc/82/56/21/1032825621.db2.gz VZENWVAGTISTNQ-QZTJIDSGSA-N 1 3 368.562 2.961 20 0 FFADHO Cc1cc(C)nc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000929682400 1019584867 /nfs/dbraw/zinc/58/48/67/1019584867.db2.gz DYWFYYBXNBJVHY-UHFFFAOYSA-N 1 3 360.546 2.614 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@H]4CCC5(COC5)O4)CC[C@H]32)cc1 ZINC000929849359 1019690245 /nfs/dbraw/zinc/69/02/45/1019690245.db2.gz XLVOPBKRSVUNIX-NJDAHSKKSA-N 1 3 356.510 2.921 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@H]4CCC5(COC5)O4)CC[C@H]32)cc1 ZINC000929849359 1019690255 /nfs/dbraw/zinc/69/02/55/1019690255.db2.gz XLVOPBKRSVUNIX-NJDAHSKKSA-N 1 3 356.510 2.921 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000800347260 1020229260 /nfs/dbraw/zinc/22/92/60/1020229260.db2.gz BYPGPEDJKFKEKS-OAQYLSRUSA-N 1 3 363.521 2.740 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000800347260 1020229271 /nfs/dbraw/zinc/22/92/71/1020229271.db2.gz BYPGPEDJKFKEKS-OAQYLSRUSA-N 1 3 363.521 2.740 20 0 FFADHO C[C@@H](c1ccc(F)cc1)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752229 1020300238 /nfs/dbraw/zinc/30/02/38/1020300238.db2.gz AFSCBXLKWXFWDJ-FRQCXROJSA-N 1 3 359.489 2.761 20 0 FFADHO C[C@@H](c1ccc(F)cc1)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752229 1020300243 /nfs/dbraw/zinc/30/02/43/1020300243.db2.gz AFSCBXLKWXFWDJ-FRQCXROJSA-N 1 3 359.489 2.761 20 0 FFADHO COc1ccc2c(c1)C[C@@H](C)C[C@@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000902795505 1020482339 /nfs/dbraw/zinc/48/23/39/1020482339.db2.gz DCKINIMYOGWKAK-IERDGZPVSA-N 1 3 373.541 2.851 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000902956514 1020596802 /nfs/dbraw/zinc/59/68/02/1020596802.db2.gz BCSQAHNCTWGGOY-LJQANCHMSA-N 1 3 355.486 2.958 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903202312 1020736637 /nfs/dbraw/zinc/73/66/37/1020736637.db2.gz BPSMDGUJTRDXEY-MWWJCJHHSA-N 1 3 368.569 2.550 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903202312 1020736644 /nfs/dbraw/zinc/73/66/44/1020736644.db2.gz BPSMDGUJTRDXEY-MWWJCJHHSA-N 1 3 368.569 2.550 20 0 FFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CCC4(CC3)OCCO4)CC2)C1 ZINC000903374522 1020812271 /nfs/dbraw/zinc/81/22/71/1020812271.db2.gz KLNKEEDTVGCXTR-PKOBYXMFSA-N 1 3 366.546 2.667 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749586580 1021010207 /nfs/dbraw/zinc/01/02/07/1021010207.db2.gz NYWMXUMVMKMHRO-PMACEKPBSA-N 1 3 360.546 2.675 20 0 FFADHO S=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000145618827 1021904894 /nfs/dbraw/zinc/90/48/94/1021904894.db2.gz UJPALLIMWDPLLI-SFHVURJKSA-N 1 3 372.582 2.599 20 0 FFADHO S=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000145618827 1021904900 /nfs/dbraw/zinc/90/49/00/1021904900.db2.gz UJPALLIMWDPLLI-SFHVURJKSA-N 1 3 372.582 2.599 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCC2)C1 ZINC001099306456 1022265576 /nfs/dbraw/zinc/26/55/76/1022265576.db2.gz FUFHMRGBKIYTCT-FVQBIDKESA-N 1 3 361.452 2.640 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001099312712 1022274328 /nfs/dbraw/zinc/27/43/28/1022274328.db2.gz DGGBQNQPVWJDOA-HUUCEWRRSA-N 1 3 358.408 2.511 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1)C1CC1 ZINC001099447175 1022541105 /nfs/dbraw/zinc/54/11/05/1022541105.db2.gz XRCTVNJMQQNASU-VWPQPMDRSA-N 1 3 355.526 2.745 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@H](C)c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001020174721 1022577803 /nfs/dbraw/zinc/57/78/03/1022577803.db2.gz OAQGVUFMMVOMCD-JYJBJNPKSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@H](C)c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001020174721 1022577810 /nfs/dbraw/zinc/57/78/10/1022577810.db2.gz OAQGVUFMMVOMCD-JYJBJNPKSA-N 1 3 365.468 2.993 20 0 FFADHO Cc1noc2nc(OC3CCN(c4cc[nH+]cc4)CC3)c3c(c12)CCNC3 ZINC001218300507 1033093275 /nfs/dbraw/zinc/09/32/75/1033093275.db2.gz VGODPXCBFATWHC-UHFFFAOYSA-N 1 3 365.437 2.620 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000948384757 1023244806 /nfs/dbraw/zinc/24/48/06/1023244806.db2.gz FXNBEDCVBQYSHU-BHIYHBOVSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)CC2)CC[N@H+]1C ZINC000948384757 1023244813 /nfs/dbraw/zinc/24/48/13/1023244813.db2.gz FXNBEDCVBQYSHU-BHIYHBOVSA-N 1 3 361.505 2.979 20 0 FFADHO CO[C@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2)c1ccccc1 ZINC001111298889 1023674355 /nfs/dbraw/zinc/67/43/55/1023674355.db2.gz WIJRGYYNUZWBDQ-MXEMCNAFSA-N 1 3 373.541 2.828 20 0 FFADHO C[C@H](CCO)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000779341725 1023703890 /nfs/dbraw/zinc/70/38/90/1023703890.db2.gz KPAWXAJHLHYAHF-MRXNPFEDSA-N 1 3 373.463 2.968 20 0 FFADHO CC1(C)CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC001124104435 1024286243 /nfs/dbraw/zinc/28/62/43/1024286243.db2.gz GTMRYLNTDRQJIH-SFHVURJKSA-N 1 3 358.530 2.673 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363352 1024550198 /nfs/dbraw/zinc/55/01/98/1024550198.db2.gz SXQQATMKDWKQKO-VYDXJSESSA-N 1 3 363.468 2.840 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101400135 1024637077 /nfs/dbraw/zinc/63/70/77/1024637077.db2.gz ILKOFAGILVIDIV-CBQOVEMMSA-N 1 3 355.526 2.796 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101400135 1024637082 /nfs/dbraw/zinc/63/70/82/1024637082.db2.gz ILKOFAGILVIDIV-CBQOVEMMSA-N 1 3 355.526 2.796 20 0 FFADHO CC[C@@H](C(=O)N1CCO[C@@H]2CN(CCCC(C)(C)C)C[C@@H]21)[NH+](CC)CC ZINC001218623826 1033248913 /nfs/dbraw/zinc/24/89/13/1033248913.db2.gz IUQHSMLNDRGCCJ-GBESFXJTSA-N 1 3 367.578 2.845 20 0 FFADHO C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046232 1025350537 /nfs/dbraw/zinc/35/05/37/1025350537.db2.gz UAMMRUCHCCNAKG-OWCLPIDISA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046232 1025350552 /nfs/dbraw/zinc/35/05/52/1025350552.db2.gz UAMMRUCHCCNAKG-OWCLPIDISA-N 1 3 357.489 2.590 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001102071295 1025391142 /nfs/dbraw/zinc/39/11/42/1025391142.db2.gz JILPPFXTEPYKLB-NUJGCVRESA-N 1 3 351.560 2.561 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001102071295 1025391154 /nfs/dbraw/zinc/39/11/54/1025391154.db2.gz JILPPFXTEPYKLB-NUJGCVRESA-N 1 3 351.560 2.561 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCOc2cccnc2)CC1 ZINC000088723971 1025440348 /nfs/dbraw/zinc/44/03/48/1025440348.db2.gz RKLJDMQEFKGQKR-UHFFFAOYSA-N 1 3 354.498 2.782 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000638268807 1025758480 /nfs/dbraw/zinc/75/84/80/1025758480.db2.gz SBXMVZCJBANNSN-UYAOXDASSA-N 1 3 358.530 2.730 20 0 FFADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000638334567 1025788758 /nfs/dbraw/zinc/78/87/58/1025788758.db2.gz XVZVZVHCTANULU-OAHLLOKOSA-N 1 3 359.514 2.921 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102369878 1025823326 /nfs/dbraw/zinc/82/33/26/1025823326.db2.gz JLMMHVQCAVIASB-FBBABVLZSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102369878 1025823350 /nfs/dbraw/zinc/82/33/50/1025823350.db2.gz JLMMHVQCAVIASB-FBBABVLZSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001102372543 1025833893 /nfs/dbraw/zinc/83/38/93/1025833893.db2.gz ITXWGQKHMZCWOW-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001102372543 1025833915 /nfs/dbraw/zinc/83/39/15/1025833915.db2.gz ITXWGQKHMZCWOW-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)OCCNC4)cc21 ZINC000638670213 1025928224 /nfs/dbraw/zinc/92/82/24/1025928224.db2.gz FSDIZRKXKPBKDA-MRXNPFEDSA-N 1 3 351.450 2.800 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1C ZINC001102473629 1026047558 /nfs/dbraw/zinc/04/75/58/1026047558.db2.gz JGJMKFYRKDEKDC-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C ZINC001102473629 1026047574 /nfs/dbraw/zinc/04/75/74/1026047574.db2.gz JGJMKFYRKDEKDC-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2c(C)nsc2C)C[C@H]1C ZINC001102524854 1026215143 /nfs/dbraw/zinc/21/51/43/1026215143.db2.gz ZOJFTYHRUZVADU-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2c(C)nsc2C)C[C@H]1C ZINC001102524854 1026215155 /nfs/dbraw/zinc/21/51/55/1026215155.db2.gz ZOJFTYHRUZVADU-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1C ZINC001102532167 1026243681 /nfs/dbraw/zinc/24/36/81/1026243681.db2.gz XKWVKPWVQQBBJX-RDTXWAMCSA-N 1 3 358.461 2.614 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1C ZINC001102532167 1026243695 /nfs/dbraw/zinc/24/36/95/1026243695.db2.gz XKWVKPWVQQBBJX-RDTXWAMCSA-N 1 3 358.461 2.614 20 0 FFADHO COc1cccc([C@H](C)[N@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)c1 ZINC001102532544 1026247378 /nfs/dbraw/zinc/24/73/78/1026247378.db2.gz RSSIRERCVZATMG-UWWQBHOKSA-N 1 3 370.497 2.715 20 0 FFADHO COc1cccc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)c1 ZINC001102532544 1026247388 /nfs/dbraw/zinc/24/73/88/1026247388.db2.gz RSSIRERCVZATMG-UWWQBHOKSA-N 1 3 370.497 2.715 20 0 FFADHO COc1ncc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c2ccccc21 ZINC000639553781 1026365693 /nfs/dbraw/zinc/36/56/93/1026365693.db2.gz PQZBRWASQAWECH-LAUBAEHRSA-N 1 3 368.525 2.701 20 0 FFADHO COc1ncc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c2ccccc21 ZINC000639553781 1026365705 /nfs/dbraw/zinc/36/57/05/1026365705.db2.gz PQZBRWASQAWECH-LAUBAEHRSA-N 1 3 368.525 2.701 20 0 FFADHO C[C@H](OCCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639757876 1026459613 /nfs/dbraw/zinc/45/96/13/1026459613.db2.gz MMIWMWONQJADGS-IBGZPJMESA-N 1 3 373.541 2.688 20 0 FFADHO C[C@@H]1CN(C[C@@H](C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c2ccccc2)C[C@@H](C)C1O ZINC000639813400 1026479600 /nfs/dbraw/zinc/47/96/00/1026479600.db2.gz HZIMKULXXGOMTI-BVERRSDDSA-N 1 3 374.569 2.668 20 0 FFADHO C[C@@H]1C[NH+](C[C@@H](CN2C[C@H](C)C(O)[C@@H](C)C2)c2ccccc2)C[C@@H](C)C1O ZINC000639813400 1026479605 /nfs/dbraw/zinc/47/96/05/1026479605.db2.gz HZIMKULXXGOMTI-BVERRSDDSA-N 1 3 374.569 2.668 20 0 FFADHO CON(C)C(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000839605688 1026755472 /nfs/dbraw/zinc/75/54/72/1026755472.db2.gz ZBHMHTWLWDEYHU-UHFFFAOYSA-N 1 3 359.514 2.904 20 0 FFADHO CN1CCC(N(c2cncc(-c3ccc(F)cc3)n2)C2CC[NH2+]CC2)CC1 ZINC001158590226 1027070296 /nfs/dbraw/zinc/07/02/96/1027070296.db2.gz BXYGZNGMJKIUES-UHFFFAOYSA-N 1 3 369.488 2.935 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000641806547 1027314968 /nfs/dbraw/zinc/31/49/68/1027314968.db2.gz PZVGWPZELRUYRU-IAGOWNOFSA-N 1 3 355.486 2.533 20 0 FFADHO COc1ccc2c(c1)C[C@@H](Nc1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001159361017 1027367557 /nfs/dbraw/zinc/36/75/57/1027367557.db2.gz QOMKECFRWFSCPA-SFHVURJKSA-N 1 3 352.482 2.987 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001103408728 1027420265 /nfs/dbraw/zinc/42/02/65/1027420265.db2.gz QWVJUDVIVUMPAV-ZHALLVOQSA-N 1 3 365.587 2.951 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001103408728 1027420272 /nfs/dbraw/zinc/42/02/72/1027420272.db2.gz QWVJUDVIVUMPAV-ZHALLVOQSA-N 1 3 365.587 2.951 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C ZINC001103434136 1027473534 /nfs/dbraw/zinc/47/35/34/1027473534.db2.gz RFKGCUXOZCJKQB-SFHLNBCPSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC001103434136 1027473552 /nfs/dbraw/zinc/47/35/52/1027473552.db2.gz RFKGCUXOZCJKQB-SFHLNBCPSA-N 1 3 357.542 2.788 20 0 FFADHO Cc1ccc(-c2cc(C(F)(F)N[C@H](N)CCC[NH3+])c(Cl)nn2)cc1 ZINC001159787925 1027498415 /nfs/dbraw/zinc/49/84/15/1027498415.db2.gz FDEXCNVXDLNGEZ-AWEZNQCLSA-N 1 3 355.820 2.768 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001160958009 1027947262 /nfs/dbraw/zinc/94/72/62/1027947262.db2.gz UCFPWAFOGCXVSR-IZZBFERCSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C2(CC2)C1 ZINC001160962322 1027949788 /nfs/dbraw/zinc/94/97/88/1027949788.db2.gz DYTOWEIBOAJSLP-JXHRLWIKSA-N 1 3 367.537 2.889 20 0 FFADHO N[C@H](CC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)c1cccc(Cl)c1Cl ZINC001160971060 1027954461 /nfs/dbraw/zinc/95/44/61/1027954461.db2.gz DMALAAOLJOVDIZ-GZMMTYOYSA-N 1 3 352.212 2.578 20 0 FFADHO CN1CCC[C@H]2CN(C(=O)c3c(Cl)cc4c(c3Cl)CC[NH2+]C4)C[C@@H]21 ZINC001161085463 1028004047 /nfs/dbraw/zinc/00/40/47/1028004047.db2.gz YJGREJOQMJIIMH-NHYWBVRUSA-N 1 3 368.308 2.805 20 0 FFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000643523454 1028029584 /nfs/dbraw/zinc/02/95/84/1028029584.db2.gz KWDHVJRZOFCUOA-OAHLLOKOSA-N 1 3 371.506 2.681 20 0 FFADHO N[C@H](C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1)C1Cc2ccccc2C1 ZINC001161424155 1028165432 /nfs/dbraw/zinc/16/54/32/1028165432.db2.gz ABRFXMQVHYEEPH-QFIPXVFZSA-N 1 3 363.505 2.510 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001161469634 1028189590 /nfs/dbraw/zinc/18/95/90/1028189590.db2.gz UBIPSXJGCQLSDQ-IAGOWNOFSA-N 1 3 363.452 2.512 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001161469634 1028189601 /nfs/dbraw/zinc/18/96/01/1028189601.db2.gz UBIPSXJGCQLSDQ-IAGOWNOFSA-N 1 3 363.452 2.512 20 0 FFADHO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc(Cl)nc2c1CCNC2 ZINC001157169812 1029492655 /nfs/dbraw/zinc/49/26/55/1029492655.db2.gz WACBZONOPJOAPJ-ZDUSSCGKSA-N 1 3 368.909 2.632 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cc4nccc(Cl)c4cn3)CC2)CC1 ZINC001157837607 1029673144 /nfs/dbraw/zinc/67/31/44/1029673144.db2.gz DUSSZXATNVCEKR-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cnc4ccc(Cl)cc4n3)CC2)CC1 ZINC001157838411 1029673254 /nfs/dbraw/zinc/67/32/54/1029673254.db2.gz XGQQRAIMHOIUAV-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cc(-c4ccccc4)ncn3)CC2)CC1 ZINC001157842123 1029673824 /nfs/dbraw/zinc/67/38/24/1029673824.db2.gz MUQRVFQRSUJNGX-UHFFFAOYSA-N 1 3 351.498 2.607 20 0 FFADHO Cc1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)nc(-c2cccs2)n1 ZINC001157842088 1029674364 /nfs/dbraw/zinc/67/43/64/1029674364.db2.gz MATHXDNJEMHHBF-UHFFFAOYSA-N 1 3 371.554 2.977 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C)c(F)c1)C2 ZINC001111927749 1029757263 /nfs/dbraw/zinc/75/72/63/1029757263.db2.gz MBTZGWFEPLSEKJ-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C)c(F)c1)C2 ZINC001111927749 1029757271 /nfs/dbraw/zinc/75/72/71/1029757271.db2.gz MBTZGWFEPLSEKJ-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO COc1cc2cnc(Cl)cc2cc1N1CCC([N@@H+]2CC[C@@H](N)C2)CC1 ZINC001158266071 1029779656 /nfs/dbraw/zinc/77/96/56/1029779656.db2.gz DDRUSMJGELGHKL-OAHLLOKOSA-N 1 3 360.889 2.899 20 0 FFADHO COc1cc2cnc(Cl)cc2cc1N1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001158266071 1029779664 /nfs/dbraw/zinc/77/96/64/1029779664.db2.gz DDRUSMJGELGHKL-OAHLLOKOSA-N 1 3 360.889 2.899 20 0 FFADHO Cc1ncsc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111948881 1029787787 /nfs/dbraw/zinc/78/77/87/1029787787.db2.gz BIGBJCNBZLNMCI-LPHOPBHVSA-N 1 3 364.559 2.654 20 0 FFADHO O=C([C@H]1C[C@@H](c2ccccc2)CC[NH2+]1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337621 1029801405 /nfs/dbraw/zinc/80/14/05/1029801405.db2.gz ZBLFBFXXGPNWKS-GUGJDKNPSA-N 1 3 361.489 2.620 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC000841009083 1029973710 /nfs/dbraw/zinc/97/37/10/1029973710.db2.gz HGEXEQTXNDIYSR-GIVPXCGWSA-N 1 3 373.541 2.552 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC000841009083 1029973723 /nfs/dbraw/zinc/97/37/23/1029973723.db2.gz HGEXEQTXNDIYSR-GIVPXCGWSA-N 1 3 373.541 2.552 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167211 1030131781 /nfs/dbraw/zinc/13/17/81/1030131781.db2.gz JBVFEDQTZAKQHF-RBSFLKMASA-N 1 3 363.468 2.743 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000841287718 1030161386 /nfs/dbraw/zinc/16/13/86/1030161386.db2.gz IYVXOEGSGXUTMA-LJQANCHMSA-N 1 3 368.481 2.810 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC(C)C)C1 ZINC001112182280 1030166995 /nfs/dbraw/zinc/16/69/95/1030166995.db2.gz YCMMGKYKAHQNQQ-HUUCEWRRSA-N 1 3 351.457 2.743 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000841693060 1030410065 /nfs/dbraw/zinc/41/00/65/1030410065.db2.gz MHMJSBPHFFGTNF-GPJFCIFZSA-N 1 3 358.530 2.735 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699665297 1030708558 /nfs/dbraw/zinc/70/85/58/1030708558.db2.gz LMIYDWYKQHHJMG-QZTJIDSGSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699666327 1030709036 /nfs/dbraw/zinc/70/90/36/1030709036.db2.gz RQEWLCXYRGEDCL-GOEBONIOSA-N 1 3 369.550 2.910 20 0 FFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1)C1CCC1 ZINC001112401671 1030747664 /nfs/dbraw/zinc/74/76/64/1030747664.db2.gz RMIOVZPKXHPJSU-REWPJTCUSA-N 1 3 369.553 2.932 20 0 FFADHO Cc1ccc2c(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cc(=O)oc2c1 ZINC000842479444 1030754454 /nfs/dbraw/zinc/75/44/54/1030754454.db2.gz SUJNMBIMTVMRDK-HKUYNNGSSA-N 1 3 356.466 2.820 20 0 FFADHO c1cncc(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001204073339 1031081148 /nfs/dbraw/zinc/08/11/48/1031081148.db2.gz ISHGQIHPUZFIOE-UHFFFAOYSA-N 1 3 352.482 2.591 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccn4ccnc34)C2)C1 ZINC001142952582 1031091620 /nfs/dbraw/zinc/09/16/20/1031091620.db2.gz XVAQOLLWJOZJMM-TZIWHRDSSA-N 1 3 354.498 2.515 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccn4ccnc34)C2)C1 ZINC001142952582 1031091641 /nfs/dbraw/zinc/09/16/41/1031091641.db2.gz XVAQOLLWJOZJMM-TZIWHRDSSA-N 1 3 354.498 2.515 20 0 FFADHO COc1cc(CN2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1F ZINC001204557362 1031352959 /nfs/dbraw/zinc/35/29/59/1031352959.db2.gz JBFLOHGEHIAXCD-MSOLQXFVSA-N 1 3 358.461 2.522 20 0 FFADHO COc1cc(CN2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1F ZINC001204557362 1031352972 /nfs/dbraw/zinc/35/29/72/1031352972.db2.gz JBFLOHGEHIAXCD-MSOLQXFVSA-N 1 3 358.461 2.522 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000843389431 1031370156 /nfs/dbraw/zinc/37/01/56/1031370156.db2.gz UKHAOVNUZWRBJV-KNQAVFIVSA-N 1 3 368.477 2.610 20 0 FFADHO Cc1cccc(N2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)c1 ZINC001204863492 1031455447 /nfs/dbraw/zinc/45/54/47/1031455447.db2.gz JCTVQYNMLXAHSL-UHFFFAOYSA-N 1 3 350.510 2.727 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCF)C1)N(C)C ZINC001205626200 1031883711 /nfs/dbraw/zinc/88/37/11/1031883711.db2.gz ZHXWVHSEDHZWLO-UHOSZYNNSA-N 1 3 367.484 2.656 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1F ZINC001205660246 1031912223 /nfs/dbraw/zinc/91/22/23/1031912223.db2.gz XKLRTVIMXLVMMS-PKOBYXMFSA-N 1 3 358.461 2.722 20 0 FFADHO N[C@H](C(=O)Nc1cc(-c2ccccc2)nn1C1CCC1)C1CC[NH2+]CC1 ZINC001218726734 1033306861 /nfs/dbraw/zinc/30/68/61/1033306861.db2.gz RXNCIIJZNRMWKJ-IBGZPJMESA-N 1 3 353.470 2.541 20 0 FFADHO CN(C)Cc1ccc(NC(=O)COC2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000829734145 1033312723 /nfs/dbraw/zinc/31/27/23/1033312723.db2.gz TXXJMAJMROCECV-UHFFFAOYSA-N 1 3 373.419 2.816 20 0 FFADHO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc2)n1 ZINC001218843033 1033369281 /nfs/dbraw/zinc/36/92/81/1033369281.db2.gz NWZBBWDSDQVMCL-INIZCTEOSA-N 1 3 359.499 2.639 20 0 FFADHO Cc1c(Br)ccc(N)c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218894723 1033397468 /nfs/dbraw/zinc/39/74/68/1033397468.db2.gz YCACXFDQQWNCPB-AWEZNQCLSA-N 1 3 371.323 2.774 20 0 FFADHO CCCCN1C[C@H]2OCCN(C(=O)CCC[NH+](CCC)CCC)[C@H]2C1 ZINC001218952864 1033425483 /nfs/dbraw/zinc/42/54/83/1033425483.db2.gz YUNIXJDFFNDUDI-RBUKOAKNSA-N 1 3 353.551 2.600 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223402574 1033429445 /nfs/dbraw/zinc/42/94/45/1033429445.db2.gz ODFFTEYUTBRJKB-SLFFLAALSA-N 1 3 356.514 2.529 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223402574 1033429454 /nfs/dbraw/zinc/42/94/54/1033429454.db2.gz ODFFTEYUTBRJKB-SLFFLAALSA-N 1 3 356.514 2.529 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCCCOC)[C@H]2C1)N(CC)CC ZINC001223489363 1033467375 /nfs/dbraw/zinc/46/73/75/1033467375.db2.gz NOTNHJUZQIJKBY-AQNXPRMDSA-N 1 3 367.578 2.846 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCCCOC)[C@H]2C1)N(CC)CC ZINC001223489363 1033467380 /nfs/dbraw/zinc/46/73/80/1033467380.db2.gz NOTNHJUZQIJKBY-AQNXPRMDSA-N 1 3 367.578 2.846 20 0 FFADHO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cnc(-c2ccccc2)nc1O ZINC001219029562 1033477119 /nfs/dbraw/zinc/47/71/19/1033477119.db2.gz CSDRUIKSRGWIPM-UHFFFAOYSA-N 1 3 362.389 2.584 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223613993 1033518670 /nfs/dbraw/zinc/51/86/70/1033518670.db2.gz QEBINBAICCTGNT-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223613993 1033518679 /nfs/dbraw/zinc/51/86/79/1033518679.db2.gz QEBINBAICCTGNT-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001223830852 1033606994 /nfs/dbraw/zinc/60/69/94/1033606994.db2.gz LOYPZPPPICOKGW-WOJBJXKFSA-N 1 3 358.530 2.743 20 0 FFADHO N[C@@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)C12CC3CC(CC(C3)C1)C2 ZINC001219540970 1033682818 /nfs/dbraw/zinc/68/28/18/1033682818.db2.gz JWYILQBOLDIMCQ-NZKVJFROSA-N 1 3 367.493 2.617 20 0 FFADHO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220075271 1033972541 /nfs/dbraw/zinc/97/25/41/1033972541.db2.gz GNMCYWUTNPWRHF-HNNXBMFYSA-N 1 3 356.297 2.792 20 0 FFADHO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220075271 1033972545 /nfs/dbraw/zinc/97/25/45/1033972545.db2.gz GNMCYWUTNPWRHF-HNNXBMFYSA-N 1 3 356.297 2.792 20 0 FFADHO COc1cc(Cl)c(F)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001220172104 1034021771 /nfs/dbraw/zinc/02/17/71/1034021771.db2.gz ZQEHAOPDWFVTQQ-LBPRGKRZSA-N 1 3 374.888 2.881 20 0 FFADHO COc1cc(Cl)c(F)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001220172104 1034021779 /nfs/dbraw/zinc/02/17/79/1034021779.db2.gz ZQEHAOPDWFVTQQ-LBPRGKRZSA-N 1 3 374.888 2.881 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000831417346 1034068532 /nfs/dbraw/zinc/06/85/32/1034068532.db2.gz UFCKKHIKTXWHIO-MOPGFXCFSA-N 1 3 367.497 2.704 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC001220621558 1034296144 /nfs/dbraw/zinc/29/61/44/1034296144.db2.gz HSKJLAUPVPTWRZ-VQTJNVASSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC001220621558 1034296153 /nfs/dbraw/zinc/29/61/53/1034296153.db2.gz HSKJLAUPVPTWRZ-VQTJNVASSA-N 1 3 358.530 2.559 20 0 FFADHO CCCC[C@@](CC)(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(=O)OCC ZINC001220637474 1034311673 /nfs/dbraw/zinc/31/16/73/1034311673.db2.gz DHXPDYRKNGOPNR-QFBILLFUSA-N 1 3 357.539 2.500 20 0 FFADHO O=C(NCc1ccccc1Oc1ccc(Cl)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220734222 1034361819 /nfs/dbraw/zinc/36/18/19/1034361819.db2.gz IKGPOQDDPWRGHH-QGZVFWFLSA-N 1 3 371.868 2.558 20 0 FFADHO CN1CCC[C@@](C)(NC(=O)C[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001221241683 1034620159 /nfs/dbraw/zinc/62/01/59/1034620159.db2.gz XGABRSNZSCCPAW-LAUBAEHRSA-N 1 3 361.530 2.724 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCCN(c3cccnc3)CC2)cc1 ZINC001138771740 1034640255 /nfs/dbraw/zinc/64/02/55/1034640255.db2.gz BHJDTDPPDWPOQS-UHFFFAOYSA-N 1 3 354.498 2.734 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001226783247 1034839465 /nfs/dbraw/zinc/83/94/65/1034839465.db2.gz VOERDTXZLDAVEP-RTBURBONSA-N 1 3 358.530 2.700 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC(F)(F)C2)CCC1 ZINC001226793205 1034845008 /nfs/dbraw/zinc/84/50/08/1034845008.db2.gz ZZLGAGOLVMVVJV-ARFHVFGLSA-N 1 3 357.489 2.923 20 0 FFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800596 1034846890 /nfs/dbraw/zinc/84/68/90/1034846890.db2.gz MLNGNYIWXMSITR-AQNXPRMDSA-N 1 3 361.505 2.991 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226825251 1034854845 /nfs/dbraw/zinc/85/48/45/1034854845.db2.gz YQQUTLNJTIEFST-QZTJIDSGSA-N 1 3 364.559 2.761 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl)[NH+](C)C ZINC001226932687 1034887483 /nfs/dbraw/zinc/88/74/83/1034887483.db2.gz OQJZASYJUMZRBJ-KURKYZTESA-N 1 3 366.937 2.838 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C(C)C)nc1C)N(C)C ZINC001227057519 1034923686 /nfs/dbraw/zinc/92/36/86/1034923686.db2.gz SZCMJKMPYMZOGB-GUDVDZBRSA-N 1 3 363.550 2.630 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC001227150609 1034951366 /nfs/dbraw/zinc/95/13/66/1034951366.db2.gz VWUXHKWCEODNSC-KZNAEPCWSA-N 1 3 353.551 2.550 20 0 FFADHO C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1cncnc1 ZINC001227160867 1034956306 /nfs/dbraw/zinc/95/63/06/1034956306.db2.gz NTZZWANJSADHNM-INIZCTEOSA-N 1 3 371.529 2.801 20 0 FFADHO C[C@@H]1COCC[C@@H]1Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165505 1034958432 /nfs/dbraw/zinc/95/84/32/1034958432.db2.gz SVFWZKPCMXAIES-UZLBHIALSA-N 1 3 363.546 2.675 20 0 FFADHO CC(C)OCCCN1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848608 1035112152 /nfs/dbraw/zinc/11/21/52/1035112152.db2.gz XFRPXQHVRHOIHT-VAMGGRTRSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1)[NH+](C)C ZINC001228445002 1036116537 /nfs/dbraw/zinc/11/65/37/1036116537.db2.gz KMHZRBPUYMMGKD-JFIYKMOQSA-N 1 3 366.937 2.838 20 0 FFADHO CCOc1ncc(Cl)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001233174273 1036419087 /nfs/dbraw/zinc/41/90/87/1036419087.db2.gz ZRAIWDIDANHYHO-UHFFFAOYSA-N 1 3 366.937 2.593 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC001233739309 1036741536 /nfs/dbraw/zinc/74/15/36/1036741536.db2.gz HCDUSIBUPFSFGO-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC001229860283 1036942566 /nfs/dbraw/zinc/94/25/66/1036942566.db2.gz PWYINMYHMLRVNM-WOJBJXKFSA-N 1 3 359.514 2.576 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1OC ZINC001229877015 1036953574 /nfs/dbraw/zinc/95/35/74/1036953574.db2.gz JLXHTTIFSSTCNQ-RTBURBONSA-N 1 3 361.530 2.862 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230171755 1037127587 /nfs/dbraw/zinc/12/75/87/1037127587.db2.gz KQGWMPGLZKTXHW-RTBURBONSA-N 1 3 362.518 2.766 20 0 FFADHO COc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230274828 1037187021 /nfs/dbraw/zinc/18/70/21/1037187021.db2.gz NTSDRDRUYJARCV-QZTJIDSGSA-N 1 3 365.493 2.692 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001230335360 1037231466 /nfs/dbraw/zinc/23/14/66/1037231466.db2.gz UZAWMYKBYVDCGY-WOJBJXKFSA-N 1 3 358.530 2.865 20 0 FFADHO CC1=CC[C@@H](CCN2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)C1(C)C ZINC001235203982 1037409534 /nfs/dbraw/zinc/40/95/34/1037409534.db2.gz ATNSKONQJGAHSZ-SFHVURJKSA-N 1 3 360.546 2.843 20 0 FFADHO C[NH+]1CCC(CN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC001207400631 1037417668 /nfs/dbraw/zinc/41/76/68/1037417668.db2.gz HYGGTRAWFOSWOX-UHFFFAOYSA-N 1 3 350.528 2.611 20 0 FFADHO OCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001235524265 1037607958 /nfs/dbraw/zinc/60/79/58/1037607958.db2.gz BBFOWZFUBFDGAB-SFTDATJTSA-N 1 3 350.547 2.610 20 0 FFADHO OCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001235524265 1037607970 /nfs/dbraw/zinc/60/79/70/1037607970.db2.gz BBFOWZFUBFDGAB-SFTDATJTSA-N 1 3 350.547 2.610 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001207758302 1037699658 /nfs/dbraw/zinc/69/96/58/1037699658.db2.gz ZSNJAKGFAPNSGY-GDBMZVCRSA-N 1 3 359.505 2.979 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001207758302 1037699667 /nfs/dbraw/zinc/69/96/67/1037699667.db2.gz ZSNJAKGFAPNSGY-GDBMZVCRSA-N 1 3 359.505 2.979 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235714944 1037706487 /nfs/dbraw/zinc/70/64/87/1037706487.db2.gz NBCNEEMDVMNXLP-FQEVSTJZSA-N 1 3 364.537 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001207828452 1037760582 /nfs/dbraw/zinc/76/05/82/1037760582.db2.gz UFDOXXAGKXNSOD-WCVJEAGWSA-N 1 3 373.488 2.618 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001207828452 1037760596 /nfs/dbraw/zinc/76/05/96/1037760596.db2.gz UFDOXXAGKXNSOD-WCVJEAGWSA-N 1 3 373.488 2.618 20 0 FFADHO C[C@H](c1ccccc1)N1CCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001235864159 1037803801 /nfs/dbraw/zinc/80/38/01/1037803801.db2.gz MSGYGJGJZMJRCL-HXUWFJFHSA-N 1 3 364.537 2.975 20 0 FFADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(CC[C@H]3COC(C)(C)[NH2+]3)C1)C2 ZINC001236004139 1037884324 /nfs/dbraw/zinc/88/43/24/1037884324.db2.gz BYCLCILIJZULGP-KGVIQGDOSA-N 1 3 372.509 2.696 20 0 FFADHO Fc1cc(-c2nccnc2N2CC[NH2+]CC2)ccc1CN1CCCCC1 ZINC001236234958 1037996869 /nfs/dbraw/zinc/99/68/69/1037996869.db2.gz QGOMGOUOFHYWPA-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001208217114 1038144970 /nfs/dbraw/zinc/14/49/70/1038144970.db2.gz IRJPZKVBAVYEJJ-SFHVURJKSA-N 1 3 355.567 2.704 20 0 FFADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001208217114 1038144976 /nfs/dbraw/zinc/14/49/76/1038144976.db2.gz IRJPZKVBAVYEJJ-SFHVURJKSA-N 1 3 355.567 2.704 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255870097 1038214516 /nfs/dbraw/zinc/21/45/16/1038214516.db2.gz HMALAUMEASSVCK-KRWDZBQOSA-N 1 3 371.500 2.581 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255870097 1038214522 /nfs/dbraw/zinc/21/45/22/1038214522.db2.gz HMALAUMEASSVCK-KRWDZBQOSA-N 1 3 371.500 2.581 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CCC([NH+]3CCC3)CC2)CC1 ZINC001255940453 1038266792 /nfs/dbraw/zinc/26/67/92/1038266792.db2.gz YGEAWSJFPJBHAK-UHFFFAOYSA-N 1 3 373.541 2.838 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001255941693 1038267445 /nfs/dbraw/zinc/26/74/45/1038267445.db2.gz XEHNSZJYXMDXRO-IAGOWNOFSA-N 1 3 369.550 2.722 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]CCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255946767 1038268711 /nfs/dbraw/zinc/26/87/11/1038268711.db2.gz ZFKMCWRXNDGZCG-KRWDZBQOSA-N 1 3 371.566 2.849 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]CCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001255946768 1038268726 /nfs/dbraw/zinc/26/87/26/1038268726.db2.gz ZFKMCWRXNDGZCG-QGZVFWFLSA-N 1 3 371.566 2.849 20 0 FFADHO [NH3+]CCCCN1CCN([C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC001256130271 1038398528 /nfs/dbraw/zinc/39/85/28/1038398528.db2.gz BNQXTFUPBVLMHP-MRXNPFEDSA-N 1 3 366.347 2.663 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)C2CCN(C)CC2)c2c1C[NH2+]CC2 ZINC001256203806 1038429217 /nfs/dbraw/zinc/42/92/17/1038429217.db2.gz NHBFKUYLFVOUML-UHFFFAOYSA-N 1 3 374.558 2.667 20 0 FFADHO CC[NH+]1CCC(CN2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001208604611 1038439977 /nfs/dbraw/zinc/43/99/77/1038439977.db2.gz RASABTIUBVSIOU-UHFFFAOYSA-N 1 3 365.525 2.998 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)C1 ZINC001208605869 1038443306 /nfs/dbraw/zinc/44/33/06/1038443306.db2.gz BRGVWSVSPBPQGG-PCCBWWKXSA-N 1 3 359.514 2.564 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)C1 ZINC001208605869 1038443311 /nfs/dbraw/zinc/44/33/11/1038443311.db2.gz BRGVWSVSPBPQGG-PCCBWWKXSA-N 1 3 359.514 2.564 20 0 FFADHO COc1ccc(NC(=O)NC2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208619225 1038452129 /nfs/dbraw/zinc/45/21/29/1038452129.db2.gz XCDQOPAEXZYONE-INIZCTEOSA-N 1 3 360.502 2.623 20 0 FFADHO COc1ccc(NC(=O)NC2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208619225 1038452133 /nfs/dbraw/zinc/45/21/33/1038452133.db2.gz XCDQOPAEXZYONE-INIZCTEOSA-N 1 3 360.502 2.623 20 0 FFADHO c1ccc(CN2CCC[C@H]2C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256687092 1038602741 /nfs/dbraw/zinc/60/27/41/1038602741.db2.gz NHAORDRGAVOXRR-HRTMPFAESA-N 1 3 357.542 2.884 20 0 FFADHO CC(=O)N1CCC[C@@H](C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)C1 ZINC001208967574 1038610254 /nfs/dbraw/zinc/61/02/54/1038610254.db2.gz UVJNIGBOQGPMOT-NRFANRHFSA-N 1 3 370.541 2.628 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)C1 ZINC001208967575 1038610716 /nfs/dbraw/zinc/61/07/16/1038610716.db2.gz UVJNIGBOQGPMOT-OAQYLSRUSA-N 1 3 370.541 2.628 20 0 FFADHO COCOCCC[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001209026118 1038638750 /nfs/dbraw/zinc/63/87/50/1038638750.db2.gz NXPIQGXSCXOKEM-KRWDZBQOSA-N 1 3 368.543 2.814 20 0 FFADHO CC(C)[NH+]1CCC(N2CCC3(CCCN3Cc3ccn(C)n3)CC2)CC1 ZINC001257216669 1038747892 /nfs/dbraw/zinc/74/78/92/1038747892.db2.gz NEZQTONBFKSVCG-UHFFFAOYSA-N 1 3 359.562 2.723 20 0 FFADHO CCCCOC(=O)CC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257381852 1038778143 /nfs/dbraw/zinc/77/81/43/1038778143.db2.gz WGFYJKPGANBDEJ-QGZVFWFLSA-N 1 3 354.535 2.979 20 0 FFADHO CCCCOC(=O)CC[C@@H](C)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001257381852 1038778151 /nfs/dbraw/zinc/77/81/51/1038778151.db2.gz WGFYJKPGANBDEJ-QGZVFWFLSA-N 1 3 354.535 2.979 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(F)cc1F ZINC001250885920 1038778271 /nfs/dbraw/zinc/77/82/71/1038778271.db2.gz OPKDXZVPTFRDMQ-QGZVFWFLSA-N 1 3 354.441 2.701 20 0 FFADHO CCCCOC(=O)CC[C@@H](C)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001257385546 1038779715 /nfs/dbraw/zinc/77/97/15/1038779715.db2.gz JDDUYZCPPVEHLP-HUUCEWRRSA-N 1 3 359.511 2.678 20 0 FFADHO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450505 1038874397 /nfs/dbraw/zinc/87/43/97/1038874397.db2.gz MBJYWSIWSZIVPY-HXUWFJFHSA-N 1 3 370.541 2.738 20 0 FFADHO O[C@H](CN[C@@H](C1CCC1)C1C[NH2+]C1)COCc1c(Cl)cccc1Cl ZINC001246022065 1039196880 /nfs/dbraw/zinc/19/68/80/1039196880.db2.gz VCFRNRLBAXGUGP-KDOFPFPSSA-N 1 3 373.324 2.849 20 0 FFADHO COc1ccc2oc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cc2c1 ZINC001209775587 1039210687 /nfs/dbraw/zinc/21/06/87/1039210687.db2.gz WOCUPRYFLUUFQK-UHFFFAOYSA-N 1 3 357.498 2.901 20 0 FFADHO O[C@@]1(CN2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)CC[NH2+]C1 ZINC001246040251 1039212323 /nfs/dbraw/zinc/21/23/23/1039212323.db2.gz GUKFNCGBSGHBRW-QFIPXVFZSA-N 1 3 352.478 2.951 20 0 FFADHO Cc1ccc(O[C@@H]2CCC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246045413 1039215190 /nfs/dbraw/zinc/21/51/90/1039215190.db2.gz UXXAZNOTUFLJMC-BHIFYINESA-N 1 3 354.494 2.769 20 0 FFADHO Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246045413 1039215207 /nfs/dbraw/zinc/21/52/07/1039215207.db2.gz UXXAZNOTUFLJMC-BHIFYINESA-N 1 3 354.494 2.769 20 0 FFADHO C[C@@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)CN1Cc1ccccc1 ZINC001246060595 1039227948 /nfs/dbraw/zinc/22/79/48/1039227948.db2.gz VFPMNZUHOPJYHE-PJIZGREPSA-N 1 3 367.537 2.512 20 0 FFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CNC[C@@H]2C)CC1 ZINC001246117641 1039248665 /nfs/dbraw/zinc/24/86/65/1039248665.db2.gz SHJCZYOLHCDTPS-FVYVLVSMSA-N 1 3 350.890 2.891 20 0 FFADHO Cc1ccc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)n1 ZINC001279085819 1039289442 /nfs/dbraw/zinc/28/94/42/1039289442.db2.gz MDSRESGXASFDBE-LJQANCHMSA-N 1 3 350.938 2.893 20 0 FFADHO C[NH2+]C1CCC(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)CC1 ZINC001246258477 1039290887 /nfs/dbraw/zinc/29/08/87/1039290887.db2.gz CXFOPDRTVXVUPI-YNIZLOQISA-N 1 3 359.514 2.566 20 0 FFADHO COC(=O)c1ccc(CC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246316659 1039311458 /nfs/dbraw/zinc/31/14/58/1039311458.db2.gz JVUNZRLFWVXBNX-RTWAWAEBSA-N 1 3 352.478 2.969 20 0 FFADHO Fc1ccc(CC2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246393718 1039334367 /nfs/dbraw/zinc/33/43/67/1039334367.db2.gz XNLMCIOUBYSEKH-HZPDHXFCSA-N 1 3 359.411 2.763 20 0 FFADHO Brc1ccc(CC2([NH2+]C3CCNCC3)CCOCC2)cc1 ZINC001246441662 1039356320 /nfs/dbraw/zinc/35/63/20/1039356320.db2.gz NXMXJGGUTSTNLK-UHFFFAOYSA-N 1 3 353.304 2.882 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](C3CCc4ccccc4CC3)C[C@@H]1CNCCC2 ZINC001246597861 1039408594 /nfs/dbraw/zinc/40/85/94/1039408594.db2.gz XMVIPONZYSDULV-UGKGYDQZSA-N 1 3 356.510 2.799 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](C3CCc4ccccc4CC3)C[C@@H]1CNCCC2 ZINC001246597861 1039408602 /nfs/dbraw/zinc/40/86/02/1039408602.db2.gz XMVIPONZYSDULV-UGKGYDQZSA-N 1 3 356.510 2.799 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCO[C@H](c4ccccc4)C3)C[C@@H]1CNCCC2 ZINC001246596187 1039409385 /nfs/dbraw/zinc/40/93/85/1039409385.db2.gz PLGBJNGAVUZPNZ-IIZPIQPGSA-N 1 3 372.509 2.771 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCO[C@H](c4ccccc4)C3)C[C@@H]1CNCCC2 ZINC001246596187 1039409393 /nfs/dbraw/zinc/40/93/93/1039409393.db2.gz PLGBJNGAVUZPNZ-IIZPIQPGSA-N 1 3 372.509 2.771 20 0 FFADHO C[C@@H](CCc1ccc(Br)cc1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246612569 1039414305 /nfs/dbraw/zinc/41/43/05/1039414305.db2.gz AGBJDYKDYDISPJ-WBAXXEDZSA-N 1 3 366.347 2.796 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCc4cc(F)ccc4C3)C[C@@H]1CNCCC2 ZINC001246609358 1039414566 /nfs/dbraw/zinc/41/45/66/1039414566.db2.gz MPZQVTCSEYWNGI-DSKINZAPSA-N 1 3 360.473 2.548 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCc4cc(F)ccc4C3)C[C@@H]1CNCCC2 ZINC001246609358 1039414573 /nfs/dbraw/zinc/41/45/73/1039414573.db2.gz MPZQVTCSEYWNGI-DSKINZAPSA-N 1 3 360.473 2.548 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1[C@@H]1CCc3ccc(C)cc3C1)CC[NH2+]CC2 ZINC001246611570 1039414906 /nfs/dbraw/zinc/41/49/06/1039414906.db2.gz UOERLEHTAQZBBU-WOJBJXKFSA-N 1 3 356.510 2.860 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H](N3CC[C@@H]4[NH2+]CC[C@H]43)CC[C@H]2C1 ZINC001246640749 1039423913 /nfs/dbraw/zinc/42/39/13/1039423913.db2.gz HFJBUHIJSVKTHS-UQVNRYHBSA-N 1 3 353.510 2.754 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1C ZINC001210237003 1039441898 /nfs/dbraw/zinc/44/18/98/1039441898.db2.gz WQWZDIMGPCQPGK-WOJBJXKFSA-N 1 3 369.594 2.998 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+]([C@@H]4CC[C@@H](C)NC4)C[C@H]2C3)c1 ZINC001246706821 1039443883 /nfs/dbraw/zinc/44/38/83/1039443883.db2.gz RZCFSVGYCZRLTG-MYZZLAAOSA-N 1 3 366.509 2.808 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+]([C@@H]4CC[C@@H](C)NC4)C[C@H]2C3)c1 ZINC001246706821 1039443892 /nfs/dbraw/zinc/44/38/92/1039443892.db2.gz RZCFSVGYCZRLTG-MYZZLAAOSA-N 1 3 366.509 2.808 20 0 FFADHO Clc1ccnc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278654714 1039462828 /nfs/dbraw/zinc/46/28/28/1039462828.db2.gz SJDYZZAOKSNHHL-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1ccnc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278654714 1039462847 /nfs/dbraw/zinc/46/28/47/1039462847.db2.gz SJDYZZAOKSNHHL-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CC[NH2+]1 ZINC001246771912 1039474586 /nfs/dbraw/zinc/47/45/86/1039474586.db2.gz YWJVFAMVONXBAK-UGGKCQTMSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246771912 1039474594 /nfs/dbraw/zinc/47/45/94/1039474594.db2.gz YWJVFAMVONXBAK-UGGKCQTMSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246771912 1039474603 /nfs/dbraw/zinc/47/46/03/1039474603.db2.gz YWJVFAMVONXBAK-UGGKCQTMSA-N 1 3 371.525 2.571 20 0 FFADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001258769833 1039505443 /nfs/dbraw/zinc/50/54/43/1039505443.db2.gz LVDHQSBLRSXYTE-CQSZACIVSA-N 1 3 357.424 2.538 20 0 FFADHO CCC[NH+]1CCC(N2CCN3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)CC1 ZINC001258773409 1039508093 /nfs/dbraw/zinc/50/80/93/1039508093.db2.gz JDAKTVMPAAIPJY-VXKWHMMOSA-N 1 3 372.557 2.540 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001246873604 1039512445 /nfs/dbraw/zinc/51/24/45/1039512445.db2.gz UIXKPQYKESRYNU-JKSUJKDBSA-N 1 3 354.325 2.958 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(OC)c2C)C[C@H]1C ZINC001210497210 1039582083 /nfs/dbraw/zinc/58/20/83/1039582083.db2.gz BJOBSYSKKHNYJH-VQIMIIECSA-N 1 3 361.530 2.672 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(OC)c2C)C[C@H]1C ZINC001210497210 1039582093 /nfs/dbraw/zinc/58/20/93/1039582093.db2.gz BJOBSYSKKHNYJH-VQIMIIECSA-N 1 3 361.530 2.672 20 0 FFADHO COC(=O)c1cccc([C@H]2CNCCN2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001247017248 1039583462 /nfs/dbraw/zinc/58/34/62/1039583462.db2.gz SSAMBHRZCWXTHB-NHCUHLMSSA-N 1 3 371.525 2.827 20 0 FFADHO COC(=O)c1cccc([C@H]2CNCCN2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001247017248 1039583477 /nfs/dbraw/zinc/58/34/77/1039583477.db2.gz SSAMBHRZCWXTHB-NHCUHLMSSA-N 1 3 371.525 2.827 20 0 FFADHO O[C@]1(CN[C@H]2CSc3ccccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951536 1039866424 /nfs/dbraw/zinc/86/64/24/1039866424.db2.gz SHCZDZNWUWEGIL-CTNGQTDRSA-N 1 3 354.519 2.930 20 0 FFADHO O[C@]1(CN[C@H]2CSc3ccccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951536 1039866447 /nfs/dbraw/zinc/86/64/47/1039866447.db2.gz SHCZDZNWUWEGIL-CTNGQTDRSA-N 1 3 354.519 2.930 20 0 FFADHO CN(C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001253024058 1039927447 /nfs/dbraw/zinc/92/74/47/1039927447.db2.gz QNJHEBFSERXKBF-VAMGGRTRSA-N 1 3 358.530 2.775 20 0 FFADHO Fc1ccc(-c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)cc1 ZINC001247849960 1039991994 /nfs/dbraw/zinc/99/19/94/1039991994.db2.gz FLBDROYBZWUATB-UHFFFAOYSA-N 1 3 350.397 2.603 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@H+](C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253191667 1040032031 /nfs/dbraw/zinc/03/20/31/1040032031.db2.gz CEWXPLOWOCMUSL-QZTJIDSGSA-N 1 3 371.566 2.799 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@@H+](C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253191667 1040032051 /nfs/dbraw/zinc/03/20/51/1040032051.db2.gz CEWXPLOWOCMUSL-QZTJIDSGSA-N 1 3 371.566 2.799 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)N1CCc2ccccc2C1 ZINC001211267761 1040050163 /nfs/dbraw/zinc/05/01/63/1040050163.db2.gz FSSFRSLCYIPFRN-QHAWAJNXSA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)N1CCc2ccccc2C1 ZINC001211267761 1040050175 /nfs/dbraw/zinc/05/01/75/1040050175.db2.gz FSSFRSLCYIPFRN-QHAWAJNXSA-N 1 3 370.541 2.701 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC001211270349 1040055337 /nfs/dbraw/zinc/05/53/37/1040055337.db2.gz WZJCDPMWUKCOQC-VQTJNVASSA-N 1 3 358.530 2.607 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC001211270349 1040055353 /nfs/dbraw/zinc/05/53/53/1040055353.db2.gz WZJCDPMWUKCOQC-VQTJNVASSA-N 1 3 358.530 2.607 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374329 1040118786 /nfs/dbraw/zinc/11/87/86/1040118786.db2.gz DJUXYMMEGKVNPV-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N1CCCC1 ZINC001211376718 1040122217 /nfs/dbraw/zinc/12/22/17/1040122217.db2.gz OYLNSLLUEJRCNI-QRQLOZEOSA-N 1 3 363.571 2.848 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N1CCCC1 ZINC001211376718 1040122225 /nfs/dbraw/zinc/12/22/25/1040122225.db2.gz OYLNSLLUEJRCNI-QRQLOZEOSA-N 1 3 363.571 2.848 20 0 FFADHO [NH3+][C@@H](C/C=C/c1ccccc1)Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248220797 1040179219 /nfs/dbraw/zinc/17/92/19/1040179219.db2.gz OTIXZFXRNRTSCY-PFWMLDTASA-N 1 3 361.449 2.751 20 0 FFADHO CC(C)(C)OC[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001253451598 1040187403 /nfs/dbraw/zinc/18/74/03/1040187403.db2.gz BZEMWICICXUKER-IBGZPJMESA-N 1 3 361.530 2.546 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001253682832 1040315830 /nfs/dbraw/zinc/31/58/30/1040315830.db2.gz VXDDOCWZRXVQOT-LJQANCHMSA-N 1 3 374.525 2.677 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213075 1040341304 /nfs/dbraw/zinc/34/13/04/1040341304.db2.gz DOBFZAJLLKWLEG-PWBPZBFBSA-N 1 3 365.562 2.670 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322915 1040451509 /nfs/dbraw/zinc/45/15/09/1040451509.db2.gz VZRJAJRAYYAMQU-UOETZDLVSA-N 1 3 365.562 2.670 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322915 1040451516 /nfs/dbraw/zinc/45/15/16/1040451516.db2.gz VZRJAJRAYYAMQU-UOETZDLVSA-N 1 3 365.562 2.670 20 0 FFADHO OC1(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040760 1040540742 /nfs/dbraw/zinc/54/07/42/1040540742.db2.gz XGSNWSATABNSMQ-LJQANCHMSA-N 1 3 354.498 2.616 20 0 FFADHO OC1(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040760 1040540754 /nfs/dbraw/zinc/54/07/54/1040540754.db2.gz XGSNWSATABNSMQ-LJQANCHMSA-N 1 3 354.498 2.616 20 0 FFADHO OC1(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040757 1040542443 /nfs/dbraw/zinc/54/24/43/1040542443.db2.gz XGSNWSATABNSMQ-IBGZPJMESA-N 1 3 354.498 2.616 20 0 FFADHO OC1(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040757 1040542467 /nfs/dbraw/zinc/54/24/67/1040542467.db2.gz XGSNWSATABNSMQ-IBGZPJMESA-N 1 3 354.498 2.616 20 0 FFADHO OC1(C[NH2+]CCOc2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC001254048345 1040548600 /nfs/dbraw/zinc/54/86/00/1040548600.db2.gz IUVORLDQXZHSEX-UHFFFAOYSA-N 1 3 358.457 2.821 20 0 FFADHO c1ccc([C@@H]2C[NH2+]C[C@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C2)cc1 ZINC001249223736 1040637961 /nfs/dbraw/zinc/63/79/61/1040637961.db2.gz HNCMWPHGBZCQRE-DLBZAZTESA-N 1 3 361.449 2.638 20 0 FFADHO O=C1NC2(CCN(Cc3ccccc3)CC2)[C@H]2C[N@@H+](C3CCCC3)C[C@H]12 ZINC001278514549 1040661445 /nfs/dbraw/zinc/66/14/45/1040661445.db2.gz UGYQARDPIPWYID-PMACEKPBSA-N 1 3 353.510 2.642 20 0 FFADHO O=C1NC2(CCN(Cc3ccccc3)CC2)[C@H]2C[N@H+](C3CCCC3)C[C@H]12 ZINC001278514549 1040661449 /nfs/dbraw/zinc/66/14/49/1040661449.db2.gz UGYQARDPIPWYID-PMACEKPBSA-N 1 3 353.510 2.642 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC001254369300 1040685594 /nfs/dbraw/zinc/68/55/94/1040685594.db2.gz OEBXLCQHLGGLQJ-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001254369300 1040685597 /nfs/dbraw/zinc/68/55/97/1040685597.db2.gz OEBXLCQHLGGLQJ-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCN(C)C1 ZINC001254369300 1040685603 /nfs/dbraw/zinc/68/56/03/1040685603.db2.gz OEBXLCQHLGGLQJ-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCCN(C)C1 ZINC001254369300 1040685612 /nfs/dbraw/zinc/68/56/12/1040685612.db2.gz OEBXLCQHLGGLQJ-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCCC[NH+](CCCC)CCCNC1CCN(CC(=O)OCC)CC1 ZINC001254394663 1040698190 /nfs/dbraw/zinc/69/81/90/1040698190.db2.gz PXXPLVXNDHPGEH-UHFFFAOYSA-N 1 3 355.567 2.896 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(c4ccncn4)C2)C3)cc1 ZINC001255131325 1041165181 /nfs/dbraw/zinc/16/51/81/1041165181.db2.gz MKKKSFUXRRBFAA-NCYKPQTJSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(c4ccncn4)C2)C3)cc1 ZINC001255131325 1041165191 /nfs/dbraw/zinc/16/51/91/1041165191.db2.gz MKKKSFUXRRBFAA-NCYKPQTJSA-N 1 3 363.509 2.841 20 0 FFADHO CC(C)(O)CN1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255150710 1041173838 /nfs/dbraw/zinc/17/38/38/1041173838.db2.gz XVTQSJJFRBURGL-AERCQKQUSA-N 1 3 357.542 2.571 20 0 FFADHO CC(C)(O)CN1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150710 1041173847 /nfs/dbraw/zinc/17/38/47/1041173847.db2.gz XVTQSJJFRBURGL-AERCQKQUSA-N 1 3 357.542 2.571 20 0 FFADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4c[nH]c5nccnc45)C[C@H]3CC2)c1 ZINC001278848703 1041190220 /nfs/dbraw/zinc/19/02/20/1041190220.db2.gz UCQUQYRCNWFYLE-IYBDPMFKSA-N 1 3 350.470 2.582 20 0 FFADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4c[nH]c5nccnc45)C[C@H]3CC2)c1 ZINC001278848703 1041190225 /nfs/dbraw/zinc/19/02/25/1041190225.db2.gz UCQUQYRCNWFYLE-IYBDPMFKSA-N 1 3 350.470 2.582 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634091 1041512942 /nfs/dbraw/zinc/51/29/42/1041512942.db2.gz BBSPWTMGGYBKJW-QZTJIDSGSA-N 1 3 353.551 2.503 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001214755139 1041563458 /nfs/dbraw/zinc/56/34/58/1041563458.db2.gz STLQHDSHWFEBJY-XOKHGSTOSA-N 1 3 355.523 2.673 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@@H]2C1 ZINC001262355560 1041653925 /nfs/dbraw/zinc/65/39/25/1041653925.db2.gz ZEDOQZZMVXKHRH-IVAOSVALSA-N 1 3 370.541 2.633 20 0 FFADHO Cn1nnnc1CCC[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001262378316 1041665625 /nfs/dbraw/zinc/66/56/25/1041665625.db2.gz YJMFIBIYLZACNQ-OAQYLSRUSA-N 1 3 370.545 2.671 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c(OC)c1 ZINC001262575834 1041732042 /nfs/dbraw/zinc/73/20/42/1041732042.db2.gz ADHXJOBDJHNEKT-MHSQWRDCSA-N 1 3 360.498 2.684 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1)[NH+](CC)CC ZINC001215518701 1041812933 /nfs/dbraw/zinc/81/29/33/1041812933.db2.gz JXKZCFYDQXALRS-XWIAVFTESA-N 1 3 366.575 2.817 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)s2)C1)C(C)C ZINC001215977152 1041921858 /nfs/dbraw/zinc/92/18/58/1041921858.db2.gz HXCJBHGTWALVPO-OLMNPRSZSA-N 1 3 366.575 2.754 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC001215994078 1041925237 /nfs/dbraw/zinc/92/52/37/1041925237.db2.gz OZHCGZJWCDIYGF-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001216348831 1042006091 /nfs/dbraw/zinc/00/60/91/1042006091.db2.gz OUOUXQKGINPWDI-SJLPKXTDSA-N 1 3 366.575 2.982 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2Cl)C1 ZINC001216510976 1042044678 /nfs/dbraw/zinc/04/46/78/1042044678.db2.gz HEQLEKYHKDAYJL-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001216511408 1042045168 /nfs/dbraw/zinc/04/51/68/1042045168.db2.gz RAVDOZOMGDCXTI-QWQRMKEZSA-N 1 3 353.457 2.804 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2OC)C1 ZINC001216515098 1042045984 /nfs/dbraw/zinc/04/59/84/1042045984.db2.gz ORKUXTGPFYWEHK-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216830280 1042139365 /nfs/dbraw/zinc/13/93/65/1042139365.db2.gz NLYLBOYMZQNHJU-RDTXWAMCSA-N 1 3 364.559 2.572 20 0 FFADHO COCCCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216843022 1042141479 /nfs/dbraw/zinc/14/14/79/1042141479.db2.gz RYVBBQMJGDQPBL-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001216851797 1042144476 /nfs/dbraw/zinc/14/44/76/1042144476.db2.gz IRIRNXYERANHDU-SLYNCCJLSA-N 1 3 357.542 2.883 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1)N1CCCCCC1 ZINC001263921579 1042533509 /nfs/dbraw/zinc/53/35/09/1042533509.db2.gz YFRYTJHMEYAXAA-CMKODMSKSA-N 1 3 358.530 2.721 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C[NH2+]CCC(C)C ZINC001263972056 1042557646 /nfs/dbraw/zinc/55/76/46/1042557646.db2.gz ONAPIEIFSBWVOO-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1cc(F)ccc1C ZINC001264062019 1042606650 /nfs/dbraw/zinc/60/66/50/1042606650.db2.gz QWRREYCKCGEALZ-RBUKOAKNSA-N 1 3 361.505 2.945 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001264655930 1042773701 /nfs/dbraw/zinc/77/37/01/1042773701.db2.gz TVBSFYGRGOGBAG-MOPGFXCFSA-N 1 3 361.505 2.838 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3cc4cccnc4[nH]3)(C1)CCC2 ZINC001279138309 1042914785 /nfs/dbraw/zinc/91/47/85/1042914785.db2.gz ZVAOCJMUPSUVPP-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](CCCN3CCCCC3)[C@@H]2C1 ZINC001279275525 1042978758 /nfs/dbraw/zinc/97/87/58/1042978758.db2.gz SIRBHXYXPFLNKQ-PWRODBHTSA-N 1 3 357.542 2.918 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](CCCN3CCCCC3)[C@@H]2C1 ZINC001279275525 1042978760 /nfs/dbraw/zinc/97/87/60/1042978760.db2.gz SIRBHXYXPFLNKQ-PWRODBHTSA-N 1 3 357.542 2.918 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](CCCN3CCCCC3)[C@@H]2C1 ZINC001279275524 1042978948 /nfs/dbraw/zinc/97/89/48/1042978948.db2.gz SIRBHXYXPFLNKQ-PCCBWWKXSA-N 1 3 357.542 2.918 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](CCCN3CCCCC3)[C@@H]2C1 ZINC001279275524 1042978951 /nfs/dbraw/zinc/97/89/51/1042978951.db2.gz SIRBHXYXPFLNKQ-PCCBWWKXSA-N 1 3 357.542 2.918 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cc(Cl)ccc1N)CC2 ZINC001279306528 1042993365 /nfs/dbraw/zinc/99/33/65/1042993365.db2.gz LKZIUIZJEUKGNU-UHFFFAOYSA-N 1 3 350.938 2.772 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cc(Cl)ccc1N)CC2 ZINC001279306528 1042993367 /nfs/dbraw/zinc/99/33/67/1042993367.db2.gz LKZIUIZJEUKGNU-UHFFFAOYSA-N 1 3 350.938 2.772 20 0 FFADHO Cc1ccc(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)cc1F ZINC001279370666 1043032516 /nfs/dbraw/zinc/03/25/16/1043032516.db2.gz UJJSOOXJPPBCKY-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO Cc1cnccc1C[N@@H+]1CCC[C@@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001279381827 1043039830 /nfs/dbraw/zinc/03/98/30/1043039830.db2.gz KAYCOXWVMMHVLV-OAQYLSRUSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cnccc1C[N@H+]1CCC[C@@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001279381827 1043039832 /nfs/dbraw/zinc/03/98/32/1043039832.db2.gz KAYCOXWVMMHVLV-OAQYLSRUSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2cc(C)ccn2)CC3)n(C)n1 ZINC001279407638 1043070035 /nfs/dbraw/zinc/07/00/35/1043070035.db2.gz WHXOEDYEBBOSMZ-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO Brc1ccc(C[C@H]2CCC[N@@H+]2CC[C@@H]2CNCCO2)cc1 ZINC001237258085 1043077879 /nfs/dbraw/zinc/07/78/79/1043077879.db2.gz KGUKSCJLGZMFBA-IAGOWNOFSA-N 1 3 353.304 2.835 20 0 FFADHO Brc1ccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CNCCO2)cc1 ZINC001237258085 1043077892 /nfs/dbraw/zinc/07/78/92/1043077892.db2.gz KGUKSCJLGZMFBA-IAGOWNOFSA-N 1 3 353.304 2.835 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(C)n1 ZINC001279584770 1043296376 /nfs/dbraw/zinc/29/63/76/1043296376.db2.gz CNKWVTXDZVTORH-UHFFFAOYSA-N 1 3 355.486 2.610 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(C)n1 ZINC001279584770 1043296385 /nfs/dbraw/zinc/29/63/85/1043296385.db2.gz CNKWVTXDZVTORH-UHFFFAOYSA-N 1 3 355.486 2.610 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CC1CC[NH+](C)CC1 ZINC001279608798 1043333471 /nfs/dbraw/zinc/33/34/71/1043333471.db2.gz AWYLYIKNGBXSMG-NRSPTQNISA-N 1 3 351.579 2.930 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cnn(C(C)C)c3)(C1)CCC2 ZINC001279647958 1043398401 /nfs/dbraw/zinc/39/84/01/1043398401.db2.gz ZJTNISWWDJWEJB-MOPGFXCFSA-N 1 3 350.507 2.609 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)c1ccc2c(n1)CCN(C[C@@H]1C[C@H]1C)C2 ZINC001279825152 1043717448 /nfs/dbraw/zinc/71/74/48/1043717448.db2.gz CUTLDGAHBITCFY-AEFFLSMTSA-N 1 3 358.530 2.510 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001311877137 1043994984 /nfs/dbraw/zinc/99/49/84/1043994984.db2.gz JDTXBBCHHUZZML-SFHLNBCPSA-N 1 3 358.530 2.823 20 0 FFADHO CSc1ccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239363581 1044103916 /nfs/dbraw/zinc/10/39/16/1044103916.db2.gz PUCHUBJDQGIWIL-CQSZACIVSA-N 1 3 350.557 2.569 20 0 FFADHO Cc1ccc(CN2C[C@H]3C[C@@]3(C(=O)N3CCC([NH+](C)C)CC3)C2)c(F)c1 ZINC001280088194 1044189561 /nfs/dbraw/zinc/18/95/61/1044189561.db2.gz OJSMSULDCIKBBG-DYESRHJHSA-N 1 3 359.489 2.509 20 0 FFADHO CC[N@H+](CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)C1CCCCC1 ZINC001312964067 1044199669 /nfs/dbraw/zinc/19/96/69/1044199669.db2.gz NGJPWSSDSCNDDK-MOPGFXCFSA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@@H+](CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)C1CCCCC1 ZINC001312964067 1044199675 /nfs/dbraw/zinc/19/96/75/1044199675.db2.gz NGJPWSSDSCNDDK-MOPGFXCFSA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@H+](CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C)C1CCCCC1 ZINC001312964070 1044201104 /nfs/dbraw/zinc/20/11/04/1044201104.db2.gz NGJPWSSDSCNDDK-RTBURBONSA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@@H+](CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C)C1CCCCC1 ZINC001312964070 1044201113 /nfs/dbraw/zinc/20/11/13/1044201113.db2.gz NGJPWSSDSCNDDK-RTBURBONSA-N 1 3 350.551 2.909 20 0 FFADHO c1ccc(CN2CCC=C(c3ccc(OC4CC[NH2+]CC4)nn3)C2)cc1 ZINC001240386393 1044325939 /nfs/dbraw/zinc/32/59/39/1044325939.db2.gz NTOXRBRFZPAWGL-UHFFFAOYSA-N 1 3 350.466 2.897 20 0 FFADHO CCC[NH+]1CCC(N2CCC(C(=O)NC3CCC(F)CC3)CC2)CC1 ZINC001280272019 1044512518 /nfs/dbraw/zinc/51/25/18/1044512518.db2.gz DMQSAHHYAYPMDL-UHFFFAOYSA-N 1 3 353.526 2.970 20 0 FFADHO CC(C)N1CCN(c2ccc(-c3cnn(C4CC[NH+](C)CC4)c3)cn2)CC1 ZINC001242728665 1044780826 /nfs/dbraw/zinc/78/08/26/1044780826.db2.gz QZSFYUGSNJFRRG-UHFFFAOYSA-N 1 3 368.529 2.742 20 0 FFADHO CN1CCN(c2cccc(-c3ccccc3CN3CC[C@H]([NH3+])C3)c2)CC1 ZINC001243670414 1044988849 /nfs/dbraw/zinc/98/88/49/1044988849.db2.gz FMHPNLRFPWYWBJ-FQEVSTJZSA-N 1 3 350.510 2.638 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NCc1ccsc1 ZINC001317272103 1045074231 /nfs/dbraw/zinc/07/42/31/1045074231.db2.gz SIHKTIGOHJDACJ-IPELMVKDSA-N 1 3 357.523 2.688 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NCc1ccsc1 ZINC001317272103 1045074242 /nfs/dbraw/zinc/07/42/42/1045074242.db2.gz SIHKTIGOHJDACJ-IPELMVKDSA-N 1 3 357.523 2.688 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)cc1 ZINC001319963271 1045314538 /nfs/dbraw/zinc/31/45/38/1045314538.db2.gz XQEKIMQYNYMUPV-IBGZPJMESA-N 1 3 370.541 2.863 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)CC2)cc1 ZINC001319963271 1045314545 /nfs/dbraw/zinc/31/45/45/1045314545.db2.gz XQEKIMQYNYMUPV-IBGZPJMESA-N 1 3 370.541 2.863 20 0 FFADHO C[C@H]1CN(Cc2ccc(-c3cnn(C)c3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001321496243 1045685452 /nfs/dbraw/zinc/68/54/52/1045685452.db2.gz JIKHCBRWJNKWHP-AVRDEDQJSA-N 1 3 367.541 2.545 20 0 FFADHO COC(=O)c1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001321560178 1045711252 /nfs/dbraw/zinc/71/12/52/1045711252.db2.gz XHUJQQWVAFTWQY-OAQYLSRUSA-N 1 3 368.477 2.720 20 0 FFADHO COC(=O)c1cccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001321560178 1045711260 /nfs/dbraw/zinc/71/12/60/1045711260.db2.gz XHUJQQWVAFTWQY-OAQYLSRUSA-N 1 3 368.477 2.720 20 0 FFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC001321849526 1045838508 /nfs/dbraw/zinc/83/85/08/1045838508.db2.gz LJHZAAWJRJUZSG-BHYGNILZSA-N 1 3 369.431 2.898 20 0 FFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC001321849526 1045838535 /nfs/dbraw/zinc/83/85/35/1045838535.db2.gz LJHZAAWJRJUZSG-BHYGNILZSA-N 1 3 369.431 2.898 20 0 FFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001331957415 1048186016 /nfs/dbraw/zinc/18/60/16/1048186016.db2.gz FGMBOEJJTSJRMZ-CVDCTZTESA-N 1 3 367.537 2.688 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001541105848 1071053652 /nfs/dbraw/zinc/05/36/52/1071053652.db2.gz XEJGBAMEBANDAO-IBGZPJMESA-N 1 3 361.530 2.896 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001295981174 1050008210 /nfs/dbraw/zinc/00/82/10/1050008210.db2.gz UCUXGYPQQOMFKU-IRXDYDNUSA-N 1 3 364.582 2.908 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCC[N@H+](C)C(C)C)C[C@H]1C ZINC001295997384 1050010268 /nfs/dbraw/zinc/01/02/68/1050010268.db2.gz QGDXEUDXFBQZIS-SJORKVTESA-N 1 3 362.566 2.805 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCC[N@@H+](C)C(C)C)C[C@H]1C ZINC001295997384 1050010272 /nfs/dbraw/zinc/01/02/72/1050010272.db2.gz QGDXEUDXFBQZIS-SJORKVTESA-N 1 3 362.566 2.805 20 0 FFADHO [NH3+]Cc1ccccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001340064367 1050472004 /nfs/dbraw/zinc/47/20/04/1050472004.db2.gz UJVYEPKCONJUJC-UHFFFAOYSA-N 1 3 355.507 2.989 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cc(Cl)n1 ZINC001342097217 1050692744 /nfs/dbraw/zinc/69/27/44/1050692744.db2.gz VBPAZPBEJRGMMN-CVEARBPZSA-N 1 3 364.921 2.943 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC001341470522 1051825779 /nfs/dbraw/zinc/82/57/79/1051825779.db2.gz WZKVOPOLGXQJOH-DENIHFKCSA-N 1 3 365.477 2.734 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCOc1cccc(Cl)c1 ZINC001316737252 1051918007 /nfs/dbraw/zinc/91/80/07/1051918007.db2.gz IQIZGPXJBSJSBL-ZWKOTPCHSA-N 1 3 367.921 2.640 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306339461 1052100208 /nfs/dbraw/zinc/10/02/08/1052100208.db2.gz NVLMUKPSBIXUGH-UXHICEINSA-N 1 3 364.493 2.689 20 0 FFADHO [NH3+][C@@H]1CC2(CCN(C(=O)c3cccc4c3CNC4)CC2)Oc2ccccc21 ZINC001345129735 1052277852 /nfs/dbraw/zinc/27/78/52/1052277852.db2.gz INDRIYJDDCPYLO-LJQANCHMSA-N 1 3 363.461 2.747 20 0 FFADHO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001307927611 1052367113 /nfs/dbraw/zinc/36/71/13/1052367113.db2.gz CQMMSEAVAKRRKC-FXAWDEMLSA-N 1 3 364.965 2.877 20 0 FFADHO C[C@H]1[C@H](N(C)C)CC[N@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001307927611 1052367116 /nfs/dbraw/zinc/36/71/16/1052367116.db2.gz CQMMSEAVAKRRKC-FXAWDEMLSA-N 1 3 364.965 2.877 20 0 FFADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1SC ZINC001308331976 1052447445 /nfs/dbraw/zinc/44/74/45/1052447445.db2.gz YOSWHPDUNBZNJX-DLBZAZTESA-N 1 3 350.528 2.885 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001542912955 1071335602 /nfs/dbraw/zinc/33/56/02/1071335602.db2.gz BWKIFFDFZQBDDZ-UHFFFAOYSA-N 1 3 361.530 2.898 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])N(C)C)cc1 ZINC001336101686 1053769527 /nfs/dbraw/zinc/76/95/27/1053769527.db2.gz WAVYEVQGHIRORH-HFSMHLIXSA-N 1 3 374.529 2.599 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC[NH+](C)CC3)n2CC(C)C)C[C@@H]1C ZINC001347680125 1054221610 /nfs/dbraw/zinc/22/16/10/1054221610.db2.gz MDPFXTOWHJJLID-DLBZAZTESA-N 1 3 362.566 2.662 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001336811799 1054248700 /nfs/dbraw/zinc/24/87/00/1054248700.db2.gz QXZYSXYQEKVVBC-VXESANQCSA-N 1 3 354.535 2.571 20 0 FFADHO COc1cc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)ccc1O ZINC000849058806 1055611937 /nfs/dbraw/zinc/61/19/37/1055611937.db2.gz UPSKIUXZGPIHLM-UHFFFAOYSA-N 1 3 368.481 2.679 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(N2CCCCC2)cc1 ZINC000849070837 1055628178 /nfs/dbraw/zinc/62/81/78/1055628178.db2.gz HJJKABAUFCXIRP-HXUWFJFHSA-N 1 3 357.546 2.818 20 0 FFADHO C[C@H]1C[C@H](CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849078987 1055631255 /nfs/dbraw/zinc/63/12/55/1055631255.db2.gz WETRTWRTGJTFSS-ZWKOTPCHSA-N 1 3 358.530 2.970 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)NCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC001338575398 1055636011 /nfs/dbraw/zinc/63/60/11/1055636011.db2.gz QBOQJNZGKCCVRQ-UHFFFAOYSA-N 1 3 372.557 2.944 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC001357261325 1055848203 /nfs/dbraw/zinc/84/82/03/1055848203.db2.gz IUZXXHIDCDDUBA-HGHGUNKESA-N 1 3 371.529 2.520 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001357561175 1055947451 /nfs/dbraw/zinc/94/74/51/1055947451.db2.gz RRWKPPQHYKFANS-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001358069390 1056128872 /nfs/dbraw/zinc/12/88/72/1056128872.db2.gz SPKCRHBPGZZBOJ-JZXOWHBKSA-N 1 3 357.498 2.621 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)nc3N(C)C)CC2)CC1 ZINC000847602921 1056145649 /nfs/dbraw/zinc/14/56/49/1056145649.db2.gz DCQRWAZCTGMNDM-UHFFFAOYSA-N 1 3 373.545 2.591 20 0 FFADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C2 ZINC001353448331 1056414581 /nfs/dbraw/zinc/41/45/81/1056414581.db2.gz IIUGBPRIOWVTCC-FCOWATRHSA-N 1 3 356.514 2.610 20 0 FFADHO C[N@H+](Cc1ccccc1)C1CCN(C(=S)NCCN2CCCCC2)CC1 ZINC001200424756 1056660181 /nfs/dbraw/zinc/66/01/81/1056660181.db2.gz BSVXDCNLTHBZFP-UHFFFAOYSA-N 1 3 374.598 2.943 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1CCN(C(=S)NCCN2CCCCC2)CC1 ZINC001200424756 1056660189 /nfs/dbraw/zinc/66/01/89/1056660189.db2.gz BSVXDCNLTHBZFP-UHFFFAOYSA-N 1 3 374.598 2.943 20 0 FFADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1C(=S)NCCN1CCCCC1 ZINC001200429382 1056669952 /nfs/dbraw/zinc/66/99/52/1056669952.db2.gz HSEBRFNYFJVOTK-ZWKOTPCHSA-N 1 3 352.592 2.686 20 0 FFADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1C(=S)NCCN1CCCCC1 ZINC001200429382 1056669959 /nfs/dbraw/zinc/66/99/59/1056669959.db2.gz HSEBRFNYFJVOTK-ZWKOTPCHSA-N 1 3 352.592 2.686 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001499460892 1058323506 /nfs/dbraw/zinc/32/35/06/1058323506.db2.gz QJVVMFBYYSPILF-LJQANCHMSA-N 1 3 374.577 2.916 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001499460892 1058323519 /nfs/dbraw/zinc/32/35/19/1058323519.db2.gz QJVVMFBYYSPILF-LJQANCHMSA-N 1 3 374.577 2.916 20 0 FFADHO CN(C)C1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCCC1 ZINC001455225859 1059732813 /nfs/dbraw/zinc/73/28/13/1059732813.db2.gz XGTJWLUREMLDFV-IBGZPJMESA-N 1 3 356.514 2.784 20 0 FFADHO CN(C)C1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCCC1 ZINC001455225859 1059732829 /nfs/dbraw/zinc/73/28/29/1059732829.db2.gz XGTJWLUREMLDFV-IBGZPJMESA-N 1 3 356.514 2.784 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001515814100 1059807202 /nfs/dbraw/zinc/80/72/02/1059807202.db2.gz QCBPPIZWZCCTIX-KURKYZTESA-N 1 3 370.545 2.814 20 0 FFADHO C[C@@]1(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CCN(Cc2ccccc2)C1 ZINC000848548670 1060260434 /nfs/dbraw/zinc/26/04/34/1060260434.db2.gz DVPKPXPDTLDKEG-VXKWHMMOSA-N 1 3 357.542 2.742 20 0 FFADHO CC[NH+](CC)[C@H](C)Cn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001547428926 1071956569 /nfs/dbraw/zinc/95/65/69/1071956569.db2.gz ISPASOBDHKVSNG-QGZVFWFLSA-N 1 3 374.577 2.950 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC001521445027 1060596632 /nfs/dbraw/zinc/59/66/32/1060596632.db2.gz CYPLRLGALHWZAK-QRVBRYPASA-N 1 3 365.562 2.552 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)C1 ZINC001521454712 1060599137 /nfs/dbraw/zinc/59/91/37/1060599137.db2.gz MNGPTZMMXBVCHC-HOCLYGCPSA-N 1 3 369.431 2.870 20 0 FFADHO CC(C)C[C@](C)(C[NH3+])C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001521469279 1060606339 /nfs/dbraw/zinc/60/63/39/1060606339.db2.gz GJKDKTPAHPOMCA-OAQYLSRUSA-N 1 3 361.530 2.841 20 0 FFADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cccc3c2CNC3)cc1 ZINC001522494319 1062195316 /nfs/dbraw/zinc/19/53/16/1062195316.db2.gz CZGOXWYULSWTOT-FLIBITNWSA-N 1 3 351.450 2.882 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492911770 1062259443 /nfs/dbraw/zinc/25/94/43/1062259443.db2.gz RLRNEXYOWJDCIL-FQEVSTJZSA-N 1 3 374.577 2.772 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)c2ccccc2O1 ZINC001545762002 1062305466 /nfs/dbraw/zinc/30/54/66/1062305466.db2.gz ACVKVRKSFZRSQX-LJQANCHMSA-N 1 3 367.493 2.760 20 0 FFADHO COc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)ccc1C ZINC001479493632 1062478896 /nfs/dbraw/zinc/47/88/96/1062478896.db2.gz CBOIOLAIRRKXNO-PKOBYXMFSA-N 1 3 361.530 2.718 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001479729789 1062971011 /nfs/dbraw/zinc/97/10/11/1062971011.db2.gz JTYJERSQIJMKQY-HSALFYBXSA-N 1 3 367.578 2.891 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001479729789 1062971029 /nfs/dbraw/zinc/97/10/29/1062971029.db2.gz JTYJERSQIJMKQY-HSALFYBXSA-N 1 3 367.578 2.891 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(Cc2cc(F)cc(F)c2)C2CC2)CC[N@@H+]1C ZINC001479868989 1063008017 /nfs/dbraw/zinc/00/80/17/1063008017.db2.gz PIBXTVMIZFWFOF-AUUYWEPGSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(Cc2cc(F)cc(F)c2)C2CC2)CC[N@H+]1C ZINC001479868989 1063008037 /nfs/dbraw/zinc/00/80/37/1063008037.db2.gz PIBXTVMIZFWFOF-AUUYWEPGSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(Cl)cc1F ZINC001494981081 1063418632 /nfs/dbraw/zinc/41/86/32/1063418632.db2.gz LCTGMRKMCFXVFQ-DAXOMENPSA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(Cl)cc1F ZINC001494981081 1063418644 /nfs/dbraw/zinc/41/86/44/1063418644.db2.gz LCTGMRKMCFXVFQ-DAXOMENPSA-N 1 3 355.885 2.804 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC001467682453 1063817893 /nfs/dbraw/zinc/81/78/93/1063817893.db2.gz CYYFXELQDMGQBL-KRWDZBQOSA-N 1 3 367.497 2.778 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC001467682453 1063817906 /nfs/dbraw/zinc/81/79/06/1063817906.db2.gz CYYFXELQDMGQBL-KRWDZBQOSA-N 1 3 367.497 2.778 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001470013219 1064244092 /nfs/dbraw/zinc/24/40/92/1064244092.db2.gz UZPWNXZECRXSGW-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001470013219 1064244097 /nfs/dbraw/zinc/24/40/97/1064244097.db2.gz UZPWNXZECRXSGW-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001470410717 1064327890 /nfs/dbraw/zinc/32/78/90/1064327890.db2.gz ZEAQXPSNRLRJFB-AZUAARDMSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001470410717 1064327896 /nfs/dbraw/zinc/32/78/96/1064327896.db2.gz ZEAQXPSNRLRJFB-AZUAARDMSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[C@@H](Cn1c([C@@H]2CCCN2)nnc1N1CCC[C@@H]1C)[NH+]1CCCC1 ZINC001575441690 1078141005 /nfs/dbraw/zinc/14/10/05/1078141005.db2.gz IGJFVEZMENAZNO-OKZBNKHCSA-N 1 3 360.550 2.812 20 0 FFADHO CC(C)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001575885413 1078173649 /nfs/dbraw/zinc/17/36/49/1078173649.db2.gz MQXQMASDBYVUMD-QZTJIDSGSA-N 1 3 374.508 2.771 20 0 FFADHO CCN(C)C[C@@H]1CC[N@H+](CCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 ZINC001474349195 1065500079 /nfs/dbraw/zinc/50/00/79/1065500079.db2.gz OHXVXPVUXLTPMC-KRWDZBQOSA-N 1 3 369.550 2.724 20 0 FFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 ZINC001474349195 1065500084 /nfs/dbraw/zinc/50/00/84/1065500084.db2.gz OHXVXPVUXLTPMC-KRWDZBQOSA-N 1 3 369.550 2.724 20 0 FFADHO C[C@@H]1C[C@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1C(=O)OC(C)(C)C ZINC001576598929 1078248018 /nfs/dbraw/zinc/24/80/18/1078248018.db2.gz PXDSPYPCXPDMHA-SMOSDQRPSA-N 1 3 351.535 2.953 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CCN1Cc1ccccc1 ZINC001576723608 1078266014 /nfs/dbraw/zinc/26/60/14/1078266014.db2.gz JZFVUNKKIAICLS-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CC[NH2+]CC[C@H]1Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001576753142 1078271290 /nfs/dbraw/zinc/27/12/90/1078271290.db2.gz KXHRTNPNIGLFQQ-QFBILLFUSA-N 1 3 353.514 2.787 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1)c1ccco1 ZINC001577003849 1078293463 /nfs/dbraw/zinc/29/34/63/1078293463.db2.gz PYCPFDKVGFAYGO-DBSRCYSRSA-N 1 3 355.482 2.884 20 0 FFADHO CC[C@H]1CN(C)c2ccccc2CN1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001577279559 1078330071 /nfs/dbraw/zinc/33/00/71/1078330071.db2.gz KMSUGNOAVQDAHC-SFHVURJKSA-N 1 3 354.498 2.920 20 0 FFADHO CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001577657278 1078385545 /nfs/dbraw/zinc/38/55/45/1078385545.db2.gz DQWUXBCJSKZCEG-FUHWJXTLSA-N 1 3 374.508 2.643 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCCC[NH3+])C[C@H]1C ZINC001577760430 1078397318 /nfs/dbraw/zinc/39/73/18/1078397318.db2.gz UNOXGPBZSCCVNS-HZPDHXFCSA-N 1 3 350.555 2.525 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc(Cl)n1 ZINC001579571839 1078643998 /nfs/dbraw/zinc/64/39/98/1078643998.db2.gz YGXLOYJKVCNATA-JKSUJKDBSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc(Cl)n1 ZINC001579571839 1078644000 /nfs/dbraw/zinc/64/40/00/1078644000.db2.gz YGXLOYJKVCNATA-JKSUJKDBSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CNCc2ccccc21)[NH+](C)C ZINC001579788405 1078682621 /nfs/dbraw/zinc/68/26/21/1078682621.db2.gz ONVJCZJUGVKWMS-NDXORKPFSA-N 1 3 351.494 2.989 20 0 FFADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C12CCOCC2 ZINC001580164714 1078758936 /nfs/dbraw/zinc/75/89/36/1078758936.db2.gz RJMFQQWWIZIUFY-IAOVAPTHSA-N 1 3 353.869 2.544 20 0 FFADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001580222242 1078768097 /nfs/dbraw/zinc/76/80/97/1078768097.db2.gz PCKMBENGGCCCHK-PMACEKPBSA-N 1 3 358.530 2.858 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001550077734 1074139439 /nfs/dbraw/zinc/13/94/39/1074139439.db2.gz WDZCRNFJVGEFOV-MSOLQXFVSA-N 1 3 371.868 2.764 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@H]1C(C)C ZINC001550422817 1074261034 /nfs/dbraw/zinc/26/10/34/1074261034.db2.gz DGNRBRULXIMQPR-KEZQHZCBSA-N 1 3 369.509 2.900 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@H]1C(C)C ZINC001550422817 1074261039 /nfs/dbraw/zinc/26/10/39/1074261039.db2.gz DGNRBRULXIMQPR-KEZQHZCBSA-N 1 3 369.509 2.900 20 0 FFADHO Cc1nc2ccccc2nc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550665060 1074425156 /nfs/dbraw/zinc/42/51/56/1074425156.db2.gz MSXUVNGWJRJECS-PMXSJFBMSA-N 1 3 354.498 2.508 20 0 FFADHO Cc1nc2ccccc2nc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550665060 1074425159 /nfs/dbraw/zinc/42/51/59/1074425159.db2.gz MSXUVNGWJRJECS-PMXSJFBMSA-N 1 3 354.498 2.508 20 0 FFADHO CCN(C(=O)NC1CCC2(C[C@H]2[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001551544810 1074751111 /nfs/dbraw/zinc/75/11/11/1074751111.db2.gz BPPGDESDGYOYCQ-QHCGNWPDSA-N 1 3 370.541 2.952 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001552154900 1075004979 /nfs/dbraw/zinc/00/49/79/1075004979.db2.gz BLQNLGUXFBKLFS-DUXKGJEZSA-N 1 3 355.526 2.745 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001552393540 1075071785 /nfs/dbraw/zinc/07/17/85/1075071785.db2.gz BUVWVIAMTKEOJG-QFUCXCTJSA-N 1 3 367.468 2.870 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001553314109 1075280711 /nfs/dbraw/zinc/28/07/11/1075280711.db2.gz VAAXLRUJHZIEOF-UHFFFAOYSA-N 1 3 360.502 2.561 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NC2CCC(C)(N3CCOCC3)CC2)c1 ZINC001553314656 1075280869 /nfs/dbraw/zinc/28/08/69/1075280869.db2.gz QYSKRTBLXAXJKG-UHFFFAOYSA-N 1 3 360.502 2.561 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC001556737376 1075770550 /nfs/dbraw/zinc/77/05/50/1075770550.db2.gz CDYODCUZGCPMGY-CBPXPLCBSA-N 1 3 369.553 2.943 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC001556737376 1075770554 /nfs/dbraw/zinc/77/05/54/1075770554.db2.gz CDYODCUZGCPMGY-CBPXPLCBSA-N 1 3 369.553 2.943 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC001557450300 1075850670 /nfs/dbraw/zinc/85/06/70/1075850670.db2.gz LPPCMXDKRHGSJU-HNNXBMFYSA-N 1 3 369.937 2.886 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC001557450300 1075850675 /nfs/dbraw/zinc/85/06/75/1075850675.db2.gz LPPCMXDKRHGSJU-HNNXBMFYSA-N 1 3 369.937 2.886 20 0 FFADHO CN(C)c1ccccc1C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001560308724 1076262221 /nfs/dbraw/zinc/26/22/21/1076262221.db2.gz BYMWUACKHUIPDU-UHFFFAOYSA-N 1 3 352.526 2.790 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(c2ccccc2)CCC1 ZINC001563564170 1076566356 /nfs/dbraw/zinc/56/63/56/1076566356.db2.gz FEXRETSHBAEFPJ-SFHVURJKSA-N 1 3 360.546 2.680 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(c2ccccc2)CCC1 ZINC001563564170 1076566361 /nfs/dbraw/zinc/56/63/61/1076566361.db2.gz FEXRETSHBAEFPJ-SFHVURJKSA-N 1 3 360.546 2.680 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1)CC(C)C ZINC001565377290 1076720334 /nfs/dbraw/zinc/72/03/34/1076720334.db2.gz OFEZBJITYVXIKJ-HKUYNNGSSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1)CC(C)C ZINC001565377290 1076720336 /nfs/dbraw/zinc/72/03/36/1076720336.db2.gz OFEZBJITYVXIKJ-HKUYNNGSSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001565972576 1076820548 /nfs/dbraw/zinc/82/05/48/1076820548.db2.gz GSRYPBRBVFYOBE-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001566338647 1076948303 /nfs/dbraw/zinc/94/83/03/1076948303.db2.gz PQWQVIMHWKRCCI-DIZVHYTASA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001566338647 1076948305 /nfs/dbraw/zinc/94/83/05/1076948305.db2.gz PQWQVIMHWKRCCI-DIZVHYTASA-N 1 3 355.526 2.886 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001567333212 1077017292 /nfs/dbraw/zinc/01/72/92/1077017292.db2.gz MSZQOODYDIONRM-AZUAARDMSA-N 1 3 356.514 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001567333212 1077017299 /nfs/dbraw/zinc/01/72/99/1077017299.db2.gz MSZQOODYDIONRM-AZUAARDMSA-N 1 3 356.514 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCOc2ccccc2C)CC[N@@H+]1C ZINC001569117681 1077129659 /nfs/dbraw/zinc/12/96/59/1077129659.db2.gz FVEDBBUBDAVHQX-GBESFXJTSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCOc2ccccc2C)CC[N@H+]1C ZINC001569117681 1077129663 /nfs/dbraw/zinc/12/96/63/1077129663.db2.gz FVEDBBUBDAVHQX-GBESFXJTSA-N 1 3 361.530 2.541 20 0 FFADHO CC(C)(CNC(=O)NCC1CCN(c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000093118309 250015314 /nfs/dbraw/zinc/01/53/14/250015314.db2.gz DJCAXJMRMYSCKH-UHFFFAOYSA-N 1 3 373.545 2.862 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccco1 ZINC000092821534 250004448 /nfs/dbraw/zinc/00/44/48/250004448.db2.gz PZCSLPWHMWZEPM-UHFFFAOYSA-N 1 3 356.470 2.529 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cc4ccccc4[nH]3)CC2)CC1 ZINC000102010140 250097452 /nfs/dbraw/zinc/09/74/52/250097452.db2.gz GIPZDDBBZFXSSU-UHFFFAOYSA-N 1 3 369.513 2.526 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000105083570 250196809 /nfs/dbraw/zinc/19/68/09/250196809.db2.gz XTDUWQUHWMRUFX-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCOc4ccccc43)CC2)CC1 ZINC000117774918 250360699 /nfs/dbraw/zinc/36/06/99/250360699.db2.gz JTYBZHVGFYKCMY-KRWDZBQOSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000153056627 251097184 /nfs/dbraw/zinc/09/71/84/251097184.db2.gz NXPOLMYZYQPEBQ-RPCCPQHDSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000153056627 251097187 /nfs/dbraw/zinc/09/71/87/251097187.db2.gz NXPOLMYZYQPEBQ-RPCCPQHDSA-N 1 3 360.420 2.763 20 0 FFADHO Cc1ccc(C[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000181188564 251255181 /nfs/dbraw/zinc/25/51/81/251255181.db2.gz OZALWKVNWIIXTN-GOSISDBHSA-N 1 3 357.542 2.848 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268827951 251397129 /nfs/dbraw/zinc/39/71/29/251397129.db2.gz PXEWSTSSNNXTOO-UNMCSNQZSA-N 1 3 358.574 2.514 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272412327 252031724 /nfs/dbraw/zinc/03/17/24/252031724.db2.gz FRJDKXKQFQHDRM-VQTJNVASSA-N 1 3 358.530 2.764 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272438742 252038311 /nfs/dbraw/zinc/03/83/11/252038311.db2.gz KQNLAJMUYDNWAQ-YLJYHZDGSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565507 252069193 /nfs/dbraw/zinc/06/91/93/252069193.db2.gz SPTRBXGBTRYVOX-WLRLJWMZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565507 252069197 /nfs/dbraw/zinc/06/91/97/252069197.db2.gz SPTRBXGBTRYVOX-WLRLJWMZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272697527 252105386 /nfs/dbraw/zinc/10/53/86/252105386.db2.gz XLAIADKFDXKWFQ-WIYYLYMNSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@@H](NCCNC(=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272697527 252105391 /nfs/dbraw/zinc/10/53/91/252105391.db2.gz XLAIADKFDXKWFQ-WIYYLYMNSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@@H](NCCNC(=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272697527 252105394 /nfs/dbraw/zinc/10/53/94/252105394.db2.gz XLAIADKFDXKWFQ-WIYYLYMNSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000272784160 252131735 /nfs/dbraw/zinc/13/17/35/252131735.db2.gz RTPCKVLVOWDKLB-KRWDZBQOSA-N 1 3 356.514 2.732 20 0 FFADHO c1cn2c(n1)CC[C@H](C[NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000275597853 256028607 /nfs/dbraw/zinc/02/86/07/256028607.db2.gz QDDJOWCNXOIISG-MHTWAQMVSA-N 1 3 350.510 2.946 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000276139035 256075317 /nfs/dbraw/zinc/07/53/17/256075317.db2.gz OGRPOKOCGPBKBK-UHFFFAOYSA-N 1 3 364.534 2.500 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000276192243 256080132 /nfs/dbraw/zinc/08/01/32/256080132.db2.gz HPCMDMCPAGTOQF-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000276192228 256080136 /nfs/dbraw/zinc/08/01/36/256080136.db2.gz HPCMDMCPAGTOQF-ICSRJNTNSA-N 1 3 360.546 2.880 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000277035650 256154166 /nfs/dbraw/zinc/15/41/66/256154166.db2.gz FYFQAFGSGIQYOS-AEFFLSMTSA-N 1 3 362.518 2.511 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000277035650 256154168 /nfs/dbraw/zinc/15/41/68/256154168.db2.gz FYFQAFGSGIQYOS-AEFFLSMTSA-N 1 3 362.518 2.511 20 0 FFADHO O=C(NCC1CC[NH+](C2CC2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000277741006 256233984 /nfs/dbraw/zinc/23/39/84/256233984.db2.gz HZVMQXLLIPRJSV-UHFFFAOYSA-N 1 3 370.541 2.825 20 0 FFADHO Cc1ccc([C@@H](CCn2cncn2)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278455380 256315053 /nfs/dbraw/zinc/31/50/53/256315053.db2.gz ISQPCABLNBXTBS-TZIWHRDSSA-N 1 3 371.529 2.808 20 0 FFADHO Cc1ccc([C@@H](CCn2cncn2)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278455380 256315054 /nfs/dbraw/zinc/31/50/54/256315054.db2.gz ISQPCABLNBXTBS-TZIWHRDSSA-N 1 3 371.529 2.808 20 0 FFADHO O=C([C@H]1CCCN1C1CC1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000278696753 256339160 /nfs/dbraw/zinc/33/91/60/256339160.db2.gz OYIHPTGFNBGTGA-OAQYLSRUSA-N 1 3 353.510 2.663 20 0 FFADHO O=C([C@H]1CCCN1C1CC1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000278696753 256339162 /nfs/dbraw/zinc/33/91/62/256339162.db2.gz OYIHPTGFNBGTGA-OAQYLSRUSA-N 1 3 353.510 2.663 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000281146413 256609345 /nfs/dbraw/zinc/60/93/45/256609345.db2.gz AYKRLMWTGKGJJD-SFHVURJKSA-N 1 3 373.545 2.734 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000286089018 257019643 /nfs/dbraw/zinc/01/96/43/257019643.db2.gz SSNUFJJBXVADPP-ZLNRFVROSA-N 1 3 371.569 2.907 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000286089018 257019644 /nfs/dbraw/zinc/01/96/44/257019644.db2.gz SSNUFJJBXVADPP-ZLNRFVROSA-N 1 3 371.569 2.907 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000286163003 257023159 /nfs/dbraw/zinc/02/31/59/257023159.db2.gz QLQDOUHLNZGJNL-ZBFHGGJFSA-N 1 3 357.420 2.723 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000287220625 257078198 /nfs/dbraw/zinc/07/81/98/257078198.db2.gz NCHAIRRJSHBLIB-JIRNRHONSA-N 1 3 358.530 2.864 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000287220625 257078199 /nfs/dbraw/zinc/07/81/99/257078199.db2.gz NCHAIRRJSHBLIB-JIRNRHONSA-N 1 3 358.530 2.864 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000289883233 257304741 /nfs/dbraw/zinc/30/47/41/257304741.db2.gz STLYJTWOZQCWMC-AWEZNQCLSA-N 1 3 355.324 2.522 20 0 FFADHO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290172015 257318823 /nfs/dbraw/zinc/31/88/23/257318823.db2.gz DUUFVPPEFUIVHH-ZMUPPCTCSA-N 1 3 352.478 2.981 20 0 FFADHO C[C@@H](CCN1CCC(c2cc[nH]n2)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000330299502 258160933 /nfs/dbraw/zinc/16/09/33/258160933.db2.gz MJALTDVKEKRVAO-INIZCTEOSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@@H](CC[NH+]1CCC(c2cc[nH]n2)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000330299502 258160934 /nfs/dbraw/zinc/16/09/34/258160934.db2.gz MJALTDVKEKRVAO-INIZCTEOSA-N 1 3 356.518 2.970 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cnc21 ZINC000333198486 258255542 /nfs/dbraw/zinc/25/55/42/258255542.db2.gz WWUHTLUZJQYJAI-MOPGFXCFSA-N 1 3 357.502 2.731 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000053250512 506341500 /nfs/dbraw/zinc/34/15/00/506341500.db2.gz NRPFQOXTRUMENS-HXUWFJFHSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377282487 512200075 /nfs/dbraw/zinc/20/00/75/512200075.db2.gz GGZQXKMVEZACRW-NEWSRXKRSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000377282487 512200078 /nfs/dbraw/zinc/20/00/78/512200078.db2.gz GGZQXKMVEZACRW-NEWSRXKRSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000066140489 506428121 /nfs/dbraw/zinc/42/81/21/506428121.db2.gz BQCPFWMQPLMNFA-GOSISDBHSA-N 1 3 360.546 2.677 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000066140489 506428126 /nfs/dbraw/zinc/42/81/26/506428126.db2.gz BQCPFWMQPLMNFA-GOSISDBHSA-N 1 3 360.546 2.677 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000066177927 506438571 /nfs/dbraw/zinc/43/85/71/506438571.db2.gz OBOIUSJKIBKGLH-SFHVURJKSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000066177927 506438574 /nfs/dbraw/zinc/43/85/74/506438574.db2.gz OBOIUSJKIBKGLH-SFHVURJKSA-N 1 3 360.546 2.723 20 0 FFADHO CN(CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)Cc1ccccc1 ZINC000054760926 506616838 /nfs/dbraw/zinc/61/68/38/506616838.db2.gz XDIFHBHQOXCDKR-NRFANRHFSA-N 1 3 368.525 2.591 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCc2ccccc2C1 ZINC000066962024 506713258 /nfs/dbraw/zinc/71/32/58/506713258.db2.gz PVGJIEGEESEMOK-NRFANRHFSA-N 1 3 357.542 2.856 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043238486 506719711 /nfs/dbraw/zinc/71/97/11/506719711.db2.gz YGASDHQYXAKGOC-HXUWFJFHSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)C2(N)Cc3ccccc3C2)cc1Cl ZINC000371271632 512300850 /nfs/dbraw/zinc/30/08/50/512300850.db2.gz TWDHPQFNRPAUSB-UHFFFAOYSA-N 1 3 373.884 2.715 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000068575513 507275617 /nfs/dbraw/zinc/27/56/17/507275617.db2.gz POHBIDVUYZDAIL-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000068575513 507275624 /nfs/dbraw/zinc/27/56/24/507275624.db2.gz POHBIDVUYZDAIL-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000068999504 507377712 /nfs/dbraw/zinc/37/77/12/507377712.db2.gz VJXWGXGPEVZTPM-UHFFFAOYSA-N 1 3 372.557 2.820 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972342 507428277 /nfs/dbraw/zinc/42/82/77/507428277.db2.gz VZBLNZLHGBIXBP-IBGZPJMESA-N 1 3 350.478 2.511 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000369316636 512348724 /nfs/dbraw/zinc/34/87/24/512348724.db2.gz RCPASTFUODNOAD-CTNGQTDRSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000369316636 512348727 /nfs/dbraw/zinc/34/87/27/512348727.db2.gz RCPASTFUODNOAD-CTNGQTDRSA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000050137079 507666557 /nfs/dbraw/zinc/66/65/57/507666557.db2.gz QHGFWJPELVYSAS-MRXNPFEDSA-N 1 3 352.548 2.601 20 0 FFADHO Cc1cccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000050797102 507713130 /nfs/dbraw/zinc/71/31/30/507713130.db2.gz MYAOJXUEZZZLBZ-UHFFFAOYSA-N 1 3 355.526 2.701 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000051758600 507783139 /nfs/dbraw/zinc/78/31/39/507783139.db2.gz KTBRGEOBPCVVJO-UHFFFAOYSA-N 1 3 374.573 2.813 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000051758445 507783255 /nfs/dbraw/zinc/78/32/55/507783255.db2.gz LSZTWYUNQQMQAH-OAQYLSRUSA-N 1 3 370.541 2.922 20 0 FFADHO CC(C)CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000051760477 507783521 /nfs/dbraw/zinc/78/35/21/507783521.db2.gz DKKOYFSEVWCCPQ-UHFFFAOYSA-N 1 3 350.551 2.765 20 0 FFADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCCC1 ZINC000051759109 507783666 /nfs/dbraw/zinc/78/36/66/507783666.db2.gz XQWZRYCLQXCLBM-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)C1 ZINC000052523472 507812115 /nfs/dbraw/zinc/81/21/15/507812115.db2.gz OTFPRDWVINXTTN-FXAWDEMLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)C1 ZINC000052523472 507812116 /nfs/dbraw/zinc/81/21/16/507812116.db2.gz OTFPRDWVINXTTN-FXAWDEMLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(OCCN(C)C)cc1 ZINC000089545965 507846588 /nfs/dbraw/zinc/84/65/88/507846588.db2.gz UZKHQVVCSVBOCR-MRXNPFEDSA-N 1 3 355.482 2.619 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000373504919 512366177 /nfs/dbraw/zinc/36/61/77/512366177.db2.gz PDTHIRJZHQYEPI-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000373504919 512366183 /nfs/dbraw/zinc/36/61/83/512366183.db2.gz PDTHIRJZHQYEPI-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CC1(C)C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C(C)(C)O1 ZINC000090028456 507902974 /nfs/dbraw/zinc/90/29/74/507902974.db2.gz WNKMQBGPMQPNBG-IBGZPJMESA-N 1 3 373.541 2.948 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108553270 507903965 /nfs/dbraw/zinc/90/39/65/507903965.db2.gz MWYPDRTXRQGWTR-VQTJNVASSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108553270 507903967 /nfs/dbraw/zinc/90/39/67/507903967.db2.gz MWYPDRTXRQGWTR-VQTJNVASSA-N 1 3 356.514 2.607 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000109175564 507944942 /nfs/dbraw/zinc/94/49/42/507944942.db2.gz UPHWTJUNHSGXEE-OALUTQOASA-N 1 3 350.551 2.672 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000109175564 507944945 /nfs/dbraw/zinc/94/49/45/507944945.db2.gz UPHWTJUNHSGXEE-OALUTQOASA-N 1 3 350.551 2.672 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000079310590 507952745 /nfs/dbraw/zinc/95/27/45/507952745.db2.gz ZCUSZUSSBZOFEW-FXAWDEMLSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000079310590 507952749 /nfs/dbraw/zinc/95/27/49/507952749.db2.gz ZCUSZUSSBZOFEW-FXAWDEMLSA-N 1 3 356.514 2.607 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000073872865 507962638 /nfs/dbraw/zinc/96/26/38/507962638.db2.gz IUPHZPJXRCGPIA-VAMGGRTRSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000073872865 507962641 /nfs/dbraw/zinc/96/26/41/507962641.db2.gz IUPHZPJXRCGPIA-VAMGGRTRSA-N 1 3 358.530 2.600 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000091286484 507978895 /nfs/dbraw/zinc/97/88/95/507978895.db2.gz LBUPDNBPFXKZTJ-CVEARBPZSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000091286484 507978898 /nfs/dbraw/zinc/97/88/98/507978898.db2.gz LBUPDNBPFXKZTJ-CVEARBPZSA-N 1 3 353.532 2.639 20 0 FFADHO CC(C)[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccnc1 ZINC000091318420 507980424 /nfs/dbraw/zinc/98/04/24/507980424.db2.gz GQYTWBMJNODDJG-HXUWFJFHSA-N 1 3 354.498 2.860 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000079599593 507980808 /nfs/dbraw/zinc/98/08/08/507980808.db2.gz ATTFTKMYBXPKRC-MSOLQXFVSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000079599593 507980809 /nfs/dbraw/zinc/98/08/09/507980809.db2.gz ATTFTKMYBXPKRC-MSOLQXFVSA-N 1 3 352.567 2.869 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1nccs1 ZINC000074364938 508016666 /nfs/dbraw/zinc/01/66/66/508016666.db2.gz BHMRCTDDANQITN-CVEARBPZSA-N 1 3 367.563 2.652 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1nccs1 ZINC000074364938 508016668 /nfs/dbraw/zinc/01/66/68/508016668.db2.gz BHMRCTDDANQITN-CVEARBPZSA-N 1 3 367.563 2.652 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000079984007 508023486 /nfs/dbraw/zinc/02/34/86/508023486.db2.gz VDYWNQKKEJCFKY-SFHVURJKSA-N 1 3 352.567 2.872 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000079984007 508023488 /nfs/dbraw/zinc/02/34/88/508023488.db2.gz VDYWNQKKEJCFKY-SFHVURJKSA-N 1 3 352.567 2.872 20 0 FFADHO CCC[NH+]1CCC(N(C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000111240907 508080613 /nfs/dbraw/zinc/08/06/13/508080613.db2.gz GPELAWVZWLQYQF-LJQANCHMSA-N 1 3 358.530 2.820 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111875310 508132658 /nfs/dbraw/zinc/13/26/58/508132658.db2.gz LVDAXKVJMUDJMN-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111875310 508132660 /nfs/dbraw/zinc/13/26/60/508132660.db2.gz LVDAXKVJMUDJMN-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CN(C)C3CC[NH+](C(C)C)CC3)c2cc1C ZINC000076478749 508211785 /nfs/dbraw/zinc/21/17/85/508211785.db2.gz UFGYGGDLEWJAED-IBGZPJMESA-N 1 3 358.530 2.819 20 0 FFADHO CN(CCN1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000112741390 508218714 /nfs/dbraw/zinc/21/87/14/508218714.db2.gz VHNNYHBNOUYPAL-UHFFFAOYSA-N 1 3 358.530 2.910 20 0 FFADHO COC[C@H]1CCCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000112985636 508237990 /nfs/dbraw/zinc/23/79/90/508237990.db2.gz RPOVYUZKEVXGOF-QUCCMNQESA-N 1 3 373.541 2.514 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000113594936 508275564 /nfs/dbraw/zinc/27/55/64/508275564.db2.gz GYWMYZHODNRNLW-IBGZPJMESA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000113594936 508275568 /nfs/dbraw/zinc/27/55/68/508275568.db2.gz GYWMYZHODNRNLW-IBGZPJMESA-N 1 3 370.541 2.777 20 0 FFADHO Cc1ccc(-c2nc(C)c(C(=O)N(CCN(C)C)CC[NH+](C)C)s2)o1 ZINC000103212939 508302845 /nfs/dbraw/zinc/30/28/45/508302845.db2.gz KCAMXXFLRPXNCG-UHFFFAOYSA-N 1 3 364.515 2.585 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1)C(C)C ZINC000114379035 508308004 /nfs/dbraw/zinc/30/80/04/508308004.db2.gz UWXGLVOTKNYNNO-LJQANCHMSA-N 1 3 374.573 2.530 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1)C(C)C ZINC000114379035 508308006 /nfs/dbraw/zinc/30/80/06/508308006.db2.gz UWXGLVOTKNYNNO-LJQANCHMSA-N 1 3 374.573 2.530 20 0 FFADHO Cc1ccc(C[C@@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000114481326 508320435 /nfs/dbraw/zinc/32/04/35/508320435.db2.gz UJCRLRIOBHIMJF-NRFANRHFSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000077564137 508335405 /nfs/dbraw/zinc/33/54/05/508335405.db2.gz KCRIMALRIVWGRZ-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000077564137 508335406 /nfs/dbraw/zinc/33/54/06/508335406.db2.gz KCRIMALRIVWGRZ-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114811719 508349608 /nfs/dbraw/zinc/34/96/08/508349608.db2.gz KIKKTFVCJPJZRW-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114811719 508349610 /nfs/dbraw/zinc/34/96/10/508349610.db2.gz KIKKTFVCJPJZRW-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000105112520 508361515 /nfs/dbraw/zinc/36/15/15/508361515.db2.gz NSCYOBFVKPDELQ-LJQANCHMSA-N 1 3 372.557 2.991 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000105112520 508361519 /nfs/dbraw/zinc/36/15/19/508361519.db2.gz NSCYOBFVKPDELQ-LJQANCHMSA-N 1 3 372.557 2.991 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000105141285 508363335 /nfs/dbraw/zinc/36/33/35/508363335.db2.gz XNXIYROUAVYOAP-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000105207670 508365911 /nfs/dbraw/zinc/36/59/11/508365911.db2.gz ZWGGOTJSGMNRLI-PMACEKPBSA-N 1 3 358.530 2.868 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000077776505 508371862 /nfs/dbraw/zinc/37/18/62/508371862.db2.gz BPZBNSVYOXGWRO-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000077776505 508371865 /nfs/dbraw/zinc/37/18/65/508371865.db2.gz BPZBNSVYOXGWRO-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[N@H+](CCCNCc2ccc(Br)cc2F)CC1 ZINC000105476573 508373972 /nfs/dbraw/zinc/37/39/72/508373972.db2.gz LZZAZHCTMMPQHA-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2ccc(Br)cc2F)CC1 ZINC000105476573 508373974 /nfs/dbraw/zinc/37/39/74/508373974.db2.gz LZZAZHCTMMPQHA-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000115272134 508380071 /nfs/dbraw/zinc/38/00/71/508380071.db2.gz DCFNYZXSCQPZLE-XLIONFOSSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000115272134 508380072 /nfs/dbraw/zinc/38/00/72/508380072.db2.gz DCFNYZXSCQPZLE-XLIONFOSSA-N 1 3 361.530 2.615 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000077838237 508383338 /nfs/dbraw/zinc/38/33/38/508383338.db2.gz RGDPEXFXEVJVLS-WOJBJXKFSA-N 1 3 360.546 2.533 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106530584 508401781 /nfs/dbraw/zinc/40/17/81/508401781.db2.gz GPRYIPOGKKGBKS-FQEVSTJZSA-N 1 3 370.541 2.751 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530584 508401782 /nfs/dbraw/zinc/40/17/82/508401782.db2.gz GPRYIPOGKKGBKS-FQEVSTJZSA-N 1 3 370.541 2.751 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CCN1CCCC1 ZINC000121843387 508430344 /nfs/dbraw/zinc/43/03/44/508430344.db2.gz NGNLQPRFPNVUPS-RTBURBONSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CN1C1CC1 ZINC000127315005 508430829 /nfs/dbraw/zinc/43/08/29/508430829.db2.gz HACBSAFPAKCWJJ-APWZRJJASA-N 1 3 356.514 2.707 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000115797245 508439318 /nfs/dbraw/zinc/43/93/18/508439318.db2.gz DTMLFHARAGLWMC-RXVVDRJESA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000115797245 508439321 /nfs/dbraw/zinc/43/93/21/508439321.db2.gz DTMLFHARAGLWMC-RXVVDRJESA-N 1 3 372.557 2.807 20 0 FFADHO CN1CCC(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000156564346 508441463 /nfs/dbraw/zinc/44/14/63/508441463.db2.gz MTJNLWLRCFARCI-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO CN1CCC(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000156564346 508441466 /nfs/dbraw/zinc/44/14/66/508441466.db2.gz MTJNLWLRCFARCI-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115826464 508443497 /nfs/dbraw/zinc/44/34/97/508443497.db2.gz JVADHDUQMJWYKC-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115826464 508443500 /nfs/dbraw/zinc/44/35/00/508443500.db2.gz JVADHDUQMJWYKC-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000152451978 508449357 /nfs/dbraw/zinc/44/93/57/508449357.db2.gz QTOZQYJVQIRFQV-LPHOPBHVSA-N 1 3 359.514 2.679 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@H](c2nccn2C)C2CC2)CC1 ZINC000127583361 508472560 /nfs/dbraw/zinc/47/25/60/508472560.db2.gz SEKYXOWDPCVYBW-NRFANRHFSA-N 1 3 367.541 2.799 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CN[C@H](c2nccn2C)C2CC2)CC1 ZINC000127583361 508472563 /nfs/dbraw/zinc/47/25/63/508472563.db2.gz SEKYXOWDPCVYBW-NRFANRHFSA-N 1 3 367.541 2.799 20 0 FFADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000122115329 508483925 /nfs/dbraw/zinc/48/39/25/508483925.db2.gz KMBOQCPYASQFOB-GOSISDBHSA-N 1 3 367.578 2.894 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000122115329 508483928 /nfs/dbraw/zinc/48/39/28/508483928.db2.gz KMBOQCPYASQFOB-GOSISDBHSA-N 1 3 367.578 2.894 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N(C)CCN3CCCC3)CC2)CC1 ZINC000152715845 508500440 /nfs/dbraw/zinc/50/04/40/508500440.db2.gz KUPGWVSKYNRDET-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000128086999 508545810 /nfs/dbraw/zinc/54/58/10/508545810.db2.gz VMBKYLSBWPVQEG-MJGOQNOKSA-N 1 3 361.530 2.959 20 0 FFADHO CCOc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000157622118 508588607 /nfs/dbraw/zinc/58/86/07/508588607.db2.gz HCDVTAMNCCNEIO-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO CCOc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000157622118 508588609 /nfs/dbraw/zinc/58/86/09/508588609.db2.gz HCDVTAMNCCNEIO-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO C[C@H](CNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)N(C)C1CC1 ZINC000135396805 508598897 /nfs/dbraw/zinc/59/88/97/508598897.db2.gz JSSXENHHPAGMLS-KZNAEPCWSA-N 1 3 372.557 2.925 20 0 FFADHO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000153580761 508602434 /nfs/dbraw/zinc/60/24/34/508602434.db2.gz AABVUBNPVXSVFW-UHFFFAOYSA-N 1 3 367.559 2.678 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000158186610 508669204 /nfs/dbraw/zinc/66/92/04/508669204.db2.gz BKPWDBVHMVDLFI-KRWDZBQOSA-N 1 3 367.559 2.757 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](CCCCCn3nnc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158488548 508711718 /nfs/dbraw/zinc/71/17/18/508711718.db2.gz FVJOZYRUXVDVJN-UXHICEINSA-N 1 3 368.529 2.927 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158488548 508711727 /nfs/dbraw/zinc/71/17/27/508711727.db2.gz FVJOZYRUXVDVJN-UXHICEINSA-N 1 3 368.529 2.927 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000131104007 508887060 /nfs/dbraw/zinc/88/70/60/508887060.db2.gz ONLQZIAGMDHZSZ-LJQANCHMSA-N 1 3 367.578 2.848 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000131104007 508887064 /nfs/dbraw/zinc/88/70/64/508887064.db2.gz ONLQZIAGMDHZSZ-LJQANCHMSA-N 1 3 367.578 2.848 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000120105134 508928745 /nfs/dbraw/zinc/92/87/45/508928745.db2.gz JXFGHVULCOCWRL-HSZRJFAPSA-N 1 3 369.553 2.955 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000120214206 508951846 /nfs/dbraw/zinc/95/18/46/508951846.db2.gz URSMBHQSPLVGKY-RXVVDRJESA-N 1 3 372.557 2.941 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000120214206 508951849 /nfs/dbraw/zinc/95/18/49/508951849.db2.gz URSMBHQSPLVGKY-RXVVDRJESA-N 1 3 372.557 2.941 20 0 FFADHO Cc1cc(C)cc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000125283046 508960054 /nfs/dbraw/zinc/96/00/54/508960054.db2.gz MHLWLDFIDMTBAD-UHFFFAOYSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)c1 ZINC000125324341 508966101 /nfs/dbraw/zinc/96/61/01/508966101.db2.gz ULFDOGPUYMSOHY-NHCUHLMSSA-N 1 3 358.574 2.970 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000126004865 509053061 /nfs/dbraw/zinc/05/30/61/509053061.db2.gz AEQLXSLBLFFSNG-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)Cc1cccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000155822094 509077030 /nfs/dbraw/zinc/07/70/30/509077030.db2.gz ASABKVLOLFTPMF-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000156077949 509122516 /nfs/dbraw/zinc/12/25/16/509122516.db2.gz SEDZOIKXKMAVHT-IRLDBZIGSA-N 1 3 358.574 2.909 20 0 FFADHO CC[N@H+](CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1)C(C)C ZINC000161524717 509124672 /nfs/dbraw/zinc/12/46/72/509124672.db2.gz FHXHGVZOCJNFBL-UHFFFAOYSA-N 1 3 361.534 2.670 20 0 FFADHO CC[N@@H+](CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1)C(C)C ZINC000161524717 509124674 /nfs/dbraw/zinc/12/46/74/509124674.db2.gz FHXHGVZOCJNFBL-UHFFFAOYSA-N 1 3 361.534 2.670 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000121155392 509140163 /nfs/dbraw/zinc/14/01/63/509140163.db2.gz QAYRBSYREXBHPA-MRXNPFEDSA-N 1 3 366.525 2.875 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000121181059 509145898 /nfs/dbraw/zinc/14/58/98/509145898.db2.gz JOQPVCYXXKRRGF-NRFANRHFSA-N 1 3 372.601 2.557 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)cs1 ZINC000161767505 509151617 /nfs/dbraw/zinc/15/16/17/509151617.db2.gz HAOIRHDVLKGIHT-WBVHZDCISA-N 1 3 350.576 2.990 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000133439005 509160205 /nfs/dbraw/zinc/16/02/05/509160205.db2.gz VUKSDXFMYWXPBR-QFBILLFUSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000133439005 509160207 /nfs/dbraw/zinc/16/02/07/509160207.db2.gz VUKSDXFMYWXPBR-QFBILLFUSA-N 1 3 361.555 2.630 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000175871830 509189502 /nfs/dbraw/zinc/18/95/02/509189502.db2.gz SCAKDVPGZSQDRH-DLBZAZTESA-N 1 3 368.591 2.520 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248385443 509282359 /nfs/dbraw/zinc/28/23/59/509282359.db2.gz IMSJPZBDCFXLHH-CVEARBPZSA-N 1 3 361.486 2.512 20 0 FFADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248385443 509282363 /nfs/dbraw/zinc/28/23/63/509282363.db2.gz IMSJPZBDCFXLHH-CVEARBPZSA-N 1 3 361.486 2.512 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248385443 509282366 /nfs/dbraw/zinc/28/23/66/509282366.db2.gz IMSJPZBDCFXLHH-CVEARBPZSA-N 1 3 361.486 2.512 20 0 FFADHO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185747113 509336214 /nfs/dbraw/zinc/33/62/14/509336214.db2.gz GKDWPCVKUOZKJW-IRXDYDNUSA-N 1 3 369.509 2.915 20 0 FFADHO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000248544895 509356096 /nfs/dbraw/zinc/35/60/96/509356096.db2.gz DBDXOXJONUIGIM-OZOXKJRCSA-N 1 3 374.525 2.872 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248855663 509513729 /nfs/dbraw/zinc/51/37/29/509513729.db2.gz PFUVIBBFPJTURR-JYBIWHBTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248855663 509513734 /nfs/dbraw/zinc/51/37/34/509513734.db2.gz PFUVIBBFPJTURR-JYBIWHBTSA-N 1 3 358.530 2.631 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000248932596 509548504 /nfs/dbraw/zinc/54/85/04/509548504.db2.gz XYSFMRUBSIRFCW-JYRKZWEQSA-N 1 3 372.557 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000248932596 509548512 /nfs/dbraw/zinc/54/85/12/509548512.db2.gz XYSFMRUBSIRFCW-JYRKZWEQSA-N 1 3 372.557 2.879 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000249057580 509586337 /nfs/dbraw/zinc/58/63/37/509586337.db2.gz XWZMZCXAJYVXBR-UXHICEINSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000249057580 509586342 /nfs/dbraw/zinc/58/63/42/509586342.db2.gz XWZMZCXAJYVXBR-UXHICEINSA-N 1 3 360.546 2.784 20 0 FFADHO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000183148994 509628894 /nfs/dbraw/zinc/62/88/94/509628894.db2.gz DKDHZNUEARYKBV-XSDIEEQYSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183148994 509628901 /nfs/dbraw/zinc/62/89/01/509628901.db2.gz DKDHZNUEARYKBV-XSDIEEQYSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183148994 509628905 /nfs/dbraw/zinc/62/89/05/509628905.db2.gz DKDHZNUEARYKBV-XSDIEEQYSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)C2(N)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000167539834 509634113 /nfs/dbraw/zinc/63/41/13/509634113.db2.gz BEXXUXDMFOJSCE-DYESRHJHSA-N 1 3 363.505 2.652 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)C2(N)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000167539834 509634118 /nfs/dbraw/zinc/63/41/18/509634118.db2.gz BEXXUXDMFOJSCE-DYESRHJHSA-N 1 3 363.505 2.652 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCC[C@@H]2CC)[C@@H](C)C1 ZINC000249258137 509642024 /nfs/dbraw/zinc/64/20/24/509642024.db2.gz HPBBDOQQCJLUMI-YRPNKDGESA-N 1 3 367.578 2.893 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1C(F)(F)F ZINC000168929831 509652838 /nfs/dbraw/zinc/65/28/38/509652838.db2.gz ZPGSEOIEMLFOAC-INIZCTEOSA-N 1 3 373.463 2.746 20 0 FFADHO CSc1ccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1F ZINC000168912269 509652877 /nfs/dbraw/zinc/65/28/77/509652877.db2.gz CGAZIWVOTLLTBF-INIZCTEOSA-N 1 3 369.550 2.588 20 0 FFADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)s1 ZINC000168953906 509655738 /nfs/dbraw/zinc/65/57/38/509655738.db2.gz NKSRCVUHVLXMBH-OAHLLOKOSA-N 1 3 359.967 2.832 20 0 FFADHO C[C@H](CC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237490293 509660654 /nfs/dbraw/zinc/66/06/54/509660654.db2.gz LDLZYEBQPANUQB-RTBURBONSA-N 1 3 372.557 2.573 20 0 FFADHO COc1ccc([C@@H](C[NH2+]C2CCN(C(C)C)CC2)N2CCOCC2)cc1 ZINC000237491910 509662629 /nfs/dbraw/zinc/66/26/29/509662629.db2.gz XKKIXZOECYRLJY-OAQYLSRUSA-N 1 3 361.530 2.531 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000189644371 509678996 /nfs/dbraw/zinc/67/89/96/509678996.db2.gz UJEIMENEZGSLQM-UHFFFAOYSA-N 1 3 372.557 2.949 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000267958649 509688349 /nfs/dbraw/zinc/68/83/49/509688349.db2.gz DDTBIAJUOUHGTN-RTBURBONSA-N 1 3 373.541 2.902 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237728662 509721487 /nfs/dbraw/zinc/72/14/87/509721487.db2.gz BGJOWUMRALQQRU-OAQYLSRUSA-N 1 3 351.494 2.646 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000249739602 509748738 /nfs/dbraw/zinc/74/87/38/509748738.db2.gz HHOVEIMRWKYEIK-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000249739602 509748742 /nfs/dbraw/zinc/74/87/42/509748742.db2.gz HHOVEIMRWKYEIK-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268114652 509764178 /nfs/dbraw/zinc/76/41/78/509764178.db2.gz DGCGXVHURKMORQ-OXJNMPFZSA-N 1 3 358.530 2.762 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189817832 509769679 /nfs/dbraw/zinc/76/96/79/509769679.db2.gz WHHGFCSGCIXNAY-IRLDBZIGSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccsc1 ZINC000173823303 509798835 /nfs/dbraw/zinc/79/88/35/509798835.db2.gz HDWMHBOZKVJTLV-QZTJIDSGSA-N 1 3 362.543 2.787 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000252692292 509857704 /nfs/dbraw/zinc/85/77/04/509857704.db2.gz UFIIAAIWFWHKFW-RMJJICAUSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000252692292 509857711 /nfs/dbraw/zinc/85/77/11/509857711.db2.gz UFIIAAIWFWHKFW-RMJJICAUSA-N 1 3 362.562 2.765 20 0 FFADHO CN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268506366 509975948 /nfs/dbraw/zinc/97/59/48/509975948.db2.gz IZZUVYZEDHQWMJ-OAQYLSRUSA-N 1 3 370.541 2.777 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000174210001 510004694 /nfs/dbraw/zinc/00/46/94/510004694.db2.gz KUAXXTSXWSBNTP-QUCCMNQESA-N 1 3 358.530 2.725 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)CC1 ZINC000171211070 510010769 /nfs/dbraw/zinc/01/07/69/510010769.db2.gz FCMUPWHZXUGROG-UHFFFAOYSA-N 1 3 372.557 2.679 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC(Cc2ccccc2)CC1 ZINC000261756003 510052868 /nfs/dbraw/zinc/05/28/68/510052868.db2.gz JKEBAVNVEFJMGU-YUXAGFNASA-N 1 3 369.553 2.788 20 0 FFADHO CC(C)Oc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261794559 510065555 /nfs/dbraw/zinc/06/55/55/510065555.db2.gz IJKQEACOBZYDBA-AZUAARDMSA-N 1 3 359.514 2.554 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC000245667906 510073224 /nfs/dbraw/zinc/07/32/24/510073224.db2.gz RKUGTJKWGFSQBT-LEWJYISDSA-N 1 3 366.509 2.993 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000245682999 510082443 /nfs/dbraw/zinc/08/24/43/510082443.db2.gz GRKMCVXOAQVCIV-KURKYZTESA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000245682999 510082452 /nfs/dbraw/zinc/08/24/52/510082452.db2.gz GRKMCVXOAQVCIV-KURKYZTESA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)N1CCC[C@@H]([NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000177489075 510092828 /nfs/dbraw/zinc/09/28/28/510092828.db2.gz LKTRYVSMCKQMTG-WSTZPKSXSA-N 1 3 365.562 2.597 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245714959 510103662 /nfs/dbraw/zinc/10/36/62/510103662.db2.gz NVHPOJBYPVTOBB-LWYYNNOASA-N 1 3 356.514 2.575 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245714959 510103667 /nfs/dbraw/zinc/10/36/67/510103667.db2.gz NVHPOJBYPVTOBB-LWYYNNOASA-N 1 3 356.514 2.575 20 0 FFADHO CC[C@@H](COC)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000268885186 510117962 /nfs/dbraw/zinc/11/79/62/510117962.db2.gz XOMUAWPVGBTADN-SFHVURJKSA-N 1 3 350.503 2.691 20 0 FFADHO CC[C@@H](COC)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268885186 510117969 /nfs/dbraw/zinc/11/79/69/510117969.db2.gz XOMUAWPVGBTADN-SFHVURJKSA-N 1 3 350.503 2.691 20 0 FFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000261967597 510131914 /nfs/dbraw/zinc/13/19/14/510131914.db2.gz BXQLQMJJAWISLA-HNNXBMFYSA-N 1 3 365.493 2.503 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN(C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000265777289 510225915 /nfs/dbraw/zinc/22/59/15/510225915.db2.gz URUUSQBOZHIOKW-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN(C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000265777289 510225919 /nfs/dbraw/zinc/22/59/19/510225919.db2.gz URUUSQBOZHIOKW-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO CC1(C)OCc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)ccc2O1 ZINC000187403553 510246073 /nfs/dbraw/zinc/24/60/73/510246073.db2.gz GNQRUXSGQYXUAL-QGZVFWFLSA-N 1 3 360.498 2.922 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000171658497 510288320 /nfs/dbraw/zinc/28/83/20/510288320.db2.gz NGWBMWUMGWNKBU-UHFFFAOYSA-N 1 3 372.538 2.700 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000246112585 510301090 /nfs/dbraw/zinc/30/10/90/510301090.db2.gz CJBPXIIIGVOULG-KNKQGSTJSA-N 1 3 360.542 2.801 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269243117 510304654 /nfs/dbraw/zinc/30/46/54/510304654.db2.gz CBQCAIDPVHGSKD-XCDJFROHSA-N 1 3 355.526 2.934 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000174889596 510368858 /nfs/dbraw/zinc/36/88/58/510368858.db2.gz QSLPWYBKUQSUMR-PKOBYXMFSA-N 1 3 356.514 2.772 20 0 FFADHO CN1CCCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000246256886 510392512 /nfs/dbraw/zinc/39/25/12/510392512.db2.gz KKXGTBSQWHFXKS-DBVUQKKJSA-N 1 3 356.514 2.688 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000266075742 510395702 /nfs/dbraw/zinc/39/57/02/510395702.db2.gz LJGLLVBXFPTRBX-IEBWSBKVSA-N 1 3 361.530 2.962 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262809669 510421890 /nfs/dbraw/zinc/42/18/90/510421890.db2.gz QCRXDMAWFJASDZ-WMZOPIPTSA-N 1 3 369.513 2.667 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246330667 510430181 /nfs/dbraw/zinc/43/01/81/510430181.db2.gz XTIKGGGMHBHTSI-XWSHUIEDSA-N 1 3 359.558 2.986 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000171909220 510447146 /nfs/dbraw/zinc/44/71/46/510447146.db2.gz RJIRYECVEHINMM-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000178253359 510510119 /nfs/dbraw/zinc/51/01/19/510510119.db2.gz FGIJDZWNVABTGU-ZDUSSCGKSA-N 1 3 350.894 2.916 20 0 FFADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c2cccs2)CCO1 ZINC000246488511 510518337 /nfs/dbraw/zinc/51/83/37/510518337.db2.gz RTANUSRINFLEMG-YYWYGQEZSA-N 1 3 351.560 2.828 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1csc(CC[NH3+])n1)c1ccsc1 ZINC000194828350 510548416 /nfs/dbraw/zinc/54/84/16/510548416.db2.gz CIDKKLHLUYGUGA-CQSZACIVSA-N 1 3 352.529 2.519 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H](C[N@H+](C)CC)C3)c2)CC1 ZINC000184893588 510568149 /nfs/dbraw/zinc/56/81/49/510568149.db2.gz WDZUWZKDNUYOQM-GOSISDBHSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H](C[N@@H+](C)CC)C3)c2)CC1 ZINC000184893588 510568153 /nfs/dbraw/zinc/56/81/53/510568153.db2.gz WDZUWZKDNUYOQM-GOSISDBHSA-N 1 3 373.545 2.634 20 0 FFADHO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H]1OC ZINC000181975931 510685982 /nfs/dbraw/zinc/68/59/82/510685982.db2.gz XGDQSHWBYNCPSX-MOPGFXCFSA-N 1 3 361.530 2.661 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246809385 510687636 /nfs/dbraw/zinc/68/76/36/510687636.db2.gz BDKZMGAAXQMMIC-MOPGFXCFSA-N 1 3 361.505 2.838 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246809385 510687641 /nfs/dbraw/zinc/68/76/41/510687641.db2.gz BDKZMGAAXQMMIC-MOPGFXCFSA-N 1 3 361.505 2.838 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCN(C)C2CC2)CC1 ZINC000185124605 510698280 /nfs/dbraw/zinc/69/82/80/510698280.db2.gz CIFGLZPSFHQJMQ-UHFFFAOYSA-N 1 3 358.530 2.695 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000247128976 510842257 /nfs/dbraw/zinc/84/22/57/510842257.db2.gz VGXPIMZJFWUYRZ-JDVWUOGWSA-N 1 3 352.544 2.964 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000247156919 510846984 /nfs/dbraw/zinc/84/69/84/510846984.db2.gz ITPLJSYNPCFCHE-DLBZAZTESA-N 1 3 364.559 2.868 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000247156919 510846987 /nfs/dbraw/zinc/84/69/87/510846987.db2.gz ITPLJSYNPCFCHE-DLBZAZTESA-N 1 3 364.559 2.868 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247316952 510856720 /nfs/dbraw/zinc/85/67/20/510856720.db2.gz KRWPVWNXROSYLK-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247316952 510856721 /nfs/dbraw/zinc/85/67/21/510856721.db2.gz KRWPVWNXROSYLK-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO O=C(NC[C@H]1CCC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000247334802 510857679 /nfs/dbraw/zinc/85/76/79/510857679.db2.gz VRNQDYHJBWILBV-WMZOPIPTSA-N 1 3 369.431 2.557 20 0 FFADHO c1cc(CNC2CCN(c3cc[nH+]cc3)CC2)c(OC[C@H]2CCOC2)cn1 ZINC000297379236 510923846 /nfs/dbraw/zinc/92/38/46/510923846.db2.gz IJRCUJRCKFIXPE-KRWDZBQOSA-N 1 3 368.481 2.651 20 0 FFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285520345 510939786 /nfs/dbraw/zinc/93/97/86/510939786.db2.gz BDNIJUWXCJDSLA-HNNXBMFYSA-N 1 3 366.465 2.980 20 0 FFADHO Cc1nc2scc(C3CC3)n2c1CNCCN1CCC([NH+](C)C)CC1 ZINC000297559859 510991946 /nfs/dbraw/zinc/99/19/46/510991946.db2.gz HAZMYCRJUFQIBZ-UHFFFAOYSA-N 1 3 361.559 2.697 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)CC1 ZINC000270857287 511006764 /nfs/dbraw/zinc/00/67/64/511006764.db2.gz HSLJMAHIUPFCHF-UHFFFAOYSA-N 1 3 367.541 2.863 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000279281995 511030286 /nfs/dbraw/zinc/03/02/86/511030286.db2.gz XXISSZIKMDGBLW-UHFFFAOYSA-N 1 3 355.526 2.984 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361719521 511084147 /nfs/dbraw/zinc/08/41/47/511084147.db2.gz USCVLCMCABGYNA-TZIWHRDSSA-N 1 3 373.566 2.596 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361719521 511084149 /nfs/dbraw/zinc/08/41/49/511084149.db2.gz USCVLCMCABGYNA-TZIWHRDSSA-N 1 3 373.566 2.596 20 0 FFADHO CC(C)c1ccc(C2(O)CCC([NH2+]CC3(O)CCN(C)CC3)CC2)cc1 ZINC000271129388 511091859 /nfs/dbraw/zinc/09/18/59/511091859.db2.gz JGNFXPYJUWVART-UHFFFAOYSA-N 1 3 360.542 2.987 20 0 FFADHO O=C1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc2N1 ZINC000332891035 511141026 /nfs/dbraw/zinc/14/10/26/511141026.db2.gz UJWNRWGJHFWFNP-XUVXKRRUSA-N 1 3 357.498 2.818 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282887681 511149111 /nfs/dbraw/zinc/14/91/11/511149111.db2.gz XBAKRMUJWCOYBL-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282887681 511149117 /nfs/dbraw/zinc/14/91/17/511149117.db2.gz XBAKRMUJWCOYBL-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](O)C[C@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279677524 511173630 /nfs/dbraw/zinc/17/36/30/511173630.db2.gz DZLJKJZOANLQPE-GHTZIAJQSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H](O)C[C@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279677528 511174458 /nfs/dbraw/zinc/17/44/58/511174458.db2.gz DZLJKJZOANLQPE-WIYYLYMNSA-N 1 3 373.541 2.524 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]1SC ZINC000291428840 511194014 /nfs/dbraw/zinc/19/40/14/511194014.db2.gz IYIDIEIERSQYDX-ZCNNSNEGSA-N 1 3 364.555 2.642 20 0 FFADHO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000365035413 511218722 /nfs/dbraw/zinc/21/87/22/511218722.db2.gz BIYUMHFNQWKUAA-PZJWPPBQSA-N 1 3 369.484 2.724 20 0 FFADHO C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000362703923 511220342 /nfs/dbraw/zinc/22/03/42/511220342.db2.gz RUCSRHSIPAKHCK-OXJNMPFZSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000362703923 511220346 /nfs/dbraw/zinc/22/03/46/511220346.db2.gz RUCSRHSIPAKHCK-OXJNMPFZSA-N 1 3 356.489 2.832 20 0 FFADHO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271489354 511222480 /nfs/dbraw/zinc/22/24/80/511222480.db2.gz LQRAWKMPDMOSAT-QGZVFWFLSA-N 1 3 373.497 2.999 20 0 FFADHO OC[C@H](C[C@@H](O)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000271560223 511245889 /nfs/dbraw/zinc/24/58/89/511245889.db2.gz WRNKWSGHCKYIJP-FCHUYYIVSA-N 1 3 354.494 2.725 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@H+](C)C(C)C)c(OC)c1 ZINC000298378087 511263615 /nfs/dbraw/zinc/26/36/15/511263615.db2.gz CESMDRHVMNNGIU-OAHLLOKOSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@@H+](C)C(C)C)c(OC)c1 ZINC000298378087 511263619 /nfs/dbraw/zinc/26/36/19/511263619.db2.gz CESMDRHVMNNGIU-OAHLLOKOSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN(C)C(C)C)c(OC)c1 ZINC000298378087 511263623 /nfs/dbraw/zinc/26/36/23/511263623.db2.gz CESMDRHVMNNGIU-OAHLLOKOSA-N 1 3 351.491 2.741 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)c1ccsc1 ZINC000271773880 511318612 /nfs/dbraw/zinc/31/86/12/511318612.db2.gz AMTPYDNJCZRHPV-QGZVFWFLSA-N 1 3 350.532 2.692 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000271773880 511318616 /nfs/dbraw/zinc/31/86/16/511318616.db2.gz AMTPYDNJCZRHPV-QGZVFWFLSA-N 1 3 350.532 2.692 20 0 FFADHO CCN(CC)[C@H](CNC1CC[NH+](CCCC(=O)OC)CC1)c1ccco1 ZINC000271851725 511347723 /nfs/dbraw/zinc/34/77/23/511347723.db2.gz WDZRUOYBZQGZRP-GOSISDBHSA-N 1 3 365.518 2.670 20 0 FFADHO COc1cc(CN(C)CC(C)(C)CO)cc(C[N@H+](C)CC(C)(C)CO)c1 ZINC000295347838 511372274 /nfs/dbraw/zinc/37/22/74/511372274.db2.gz YJJGEZFYCXRCSK-UHFFFAOYSA-N 1 3 366.546 2.596 20 0 FFADHO COc1cc(CN(C)CC(C)(C)CO)cc(C[N@@H+](C)CC(C)(C)CO)c1 ZINC000295347838 511372279 /nfs/dbraw/zinc/37/22/79/511372279.db2.gz YJJGEZFYCXRCSK-UHFFFAOYSA-N 1 3 366.546 2.596 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000283563537 511415915 /nfs/dbraw/zinc/41/59/15/511415915.db2.gz IMJVCSSOMLLFBO-KSSFIOAISA-N 1 3 364.921 2.892 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000283563537 511415918 /nfs/dbraw/zinc/41/59/18/511415918.db2.gz IMJVCSSOMLLFBO-KSSFIOAISA-N 1 3 364.921 2.892 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363369221 511507871 /nfs/dbraw/zinc/50/78/71/511507871.db2.gz IJPJMYAVKNPIJP-OAQYLSRUSA-N 1 3 355.526 2.985 20 0 FFADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000283839516 511518513 /nfs/dbraw/zinc/51/85/13/511518513.db2.gz AWSXJQWGODZZEA-RBUKOAKNSA-N 1 3 352.544 2.974 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000299319860 511591464 /nfs/dbraw/zinc/59/14/64/511591464.db2.gz NTQVMWMTZBBLQI-VQIMIIECSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000299319860 511591469 /nfs/dbraw/zinc/59/14/69/511591469.db2.gz NTQVMWMTZBBLQI-VQIMIIECSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000299319853 511591785 /nfs/dbraw/zinc/59/17/85/511591785.db2.gz NTQVMWMTZBBLQI-QFBILLFUSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000299319853 511591789 /nfs/dbraw/zinc/59/17/89/511591789.db2.gz NTQVMWMTZBBLQI-QFBILLFUSA-N 1 3 365.493 2.881 20 0 FFADHO Cc1nccn1CCCN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284261981 511659624 /nfs/dbraw/zinc/65/96/24/511659624.db2.gz WXWVSNWEABHLSW-NRFANRHFSA-N 1 3 356.514 2.805 20 0 FFADHO Cc1nccn1CCCN(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284261981 511659626 /nfs/dbraw/zinc/65/96/26/511659626.db2.gz WXWVSNWEABHLSW-NRFANRHFSA-N 1 3 356.514 2.805 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000365836712 511678435 /nfs/dbraw/zinc/67/84/35/511678435.db2.gz JGABVNCIYYWKGB-NJDAHSKKSA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000365836712 511678438 /nfs/dbraw/zinc/67/84/38/511678438.db2.gz JGABVNCIYYWKGB-NJDAHSKKSA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000292680683 511683073 /nfs/dbraw/zinc/68/30/73/511683073.db2.gz XKGCMDBENKYIJQ-IAGOWNOFSA-N 1 3 361.534 2.635 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000292680683 511683076 /nfs/dbraw/zinc/68/30/76/511683076.db2.gz XKGCMDBENKYIJQ-IAGOWNOFSA-N 1 3 361.534 2.635 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000303017156 511724858 /nfs/dbraw/zinc/72/48/58/511724858.db2.gz QDCRBGCONVKAJT-ICSRJNTNSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000303017156 511724863 /nfs/dbraw/zinc/72/48/63/511724863.db2.gz QDCRBGCONVKAJT-ICSRJNTNSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000303045832 511725857 /nfs/dbraw/zinc/72/58/57/511725857.db2.gz IAYIFQTUSZQVOM-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000274212297 511755837 /nfs/dbraw/zinc/75/58/37/511755837.db2.gz NXJBJRZNAFJIEB-DBXWQHBBSA-N 1 3 372.557 2.879 20 0 FFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000363923455 511853373 /nfs/dbraw/zinc/85/33/73/511853373.db2.gz HAGYAFONECUKCF-JRGCBEDISA-N 1 3 368.525 2.803 20 0 FFADHO Cc1c(Cl)cncc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000296893678 511939603 /nfs/dbraw/zinc/93/96/03/511939603.db2.gz HEYJZVUYENCBDK-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000366291483 511943007 /nfs/dbraw/zinc/94/30/07/511943007.db2.gz XOJYKBRYLMGNLU-DENIHFKCSA-N 1 3 358.574 2.513 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000366330576 511962596 /nfs/dbraw/zinc/96/25/96/511962596.db2.gz DKDWQTPNTZYVEY-UHFFFAOYSA-N 1 3 351.494 2.641 20 0 FFADHO Cn1ncc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000293734934 512068349 /nfs/dbraw/zinc/06/83/49/512068349.db2.gz ORDNPRVYWNNKPI-HLAWJBBLSA-N 1 3 353.514 2.638 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371741521 512551453 /nfs/dbraw/zinc/55/14/53/512551453.db2.gz LYQTYQUGTYNUJU-DLBZAZTESA-N 1 3 362.543 2.765 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000371741521 512551458 /nfs/dbraw/zinc/55/14/58/512551458.db2.gz LYQTYQUGTYNUJU-DLBZAZTESA-N 1 3 362.543 2.765 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000369773942 512602735 /nfs/dbraw/zinc/60/27/35/512602735.db2.gz FZTXQWQSCXOGMT-NHCUHLMSSA-N 1 3 373.541 2.513 20 0 FFADHO NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000371870886 512612341 /nfs/dbraw/zinc/61/23/41/512612341.db2.gz UZSBRMXJERSCHX-SFTDATJTSA-N 1 3 351.494 2.585 20 0 FFADHO CN(c1ccccc1C[N@@H+]1CC[C@H](c2nccn2C)C1)C1CCN(C)CC1 ZINC000367701431 512622978 /nfs/dbraw/zinc/62/29/78/512622978.db2.gz KRMNMVZDUKPIAO-IBGZPJMESA-N 1 3 367.541 2.940 20 0 FFADHO CN(c1ccccc1C[N@H+]1CC[C@H](c2nccn2C)C1)C1CCN(C)CC1 ZINC000367701431 512622982 /nfs/dbraw/zinc/62/29/82/512622982.db2.gz KRMNMVZDUKPIAO-IBGZPJMESA-N 1 3 367.541 2.940 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000369873663 512658911 /nfs/dbraw/zinc/65/89/11/512658911.db2.gz UIDBTWRUXMCTIK-RTWAWAEBSA-N 1 3 368.525 2.554 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000369873663 512658915 /nfs/dbraw/zinc/65/89/15/512658915.db2.gz UIDBTWRUXMCTIK-RTWAWAEBSA-N 1 3 368.525 2.554 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000369891494 512668021 /nfs/dbraw/zinc/66/80/21/512668021.db2.gz DWXIIJWPFYGFMN-YRPNKDGESA-N 1 3 373.545 2.589 20 0 FFADHO OC[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC000367904317 512716535 /nfs/dbraw/zinc/71/65/35/512716535.db2.gz QEENIVAXDOGIED-YSFYHYPLSA-N 1 3 351.494 2.943 20 0 FFADHO OC[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC000367904317 512716537 /nfs/dbraw/zinc/71/65/37/512716537.db2.gz QEENIVAXDOGIED-YSFYHYPLSA-N 1 3 351.494 2.943 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374278085 512741738 /nfs/dbraw/zinc/74/17/38/512741738.db2.gz OJMXQIHLGBCRLX-IFMALSPDSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374278085 512741740 /nfs/dbraw/zinc/74/17/40/512741740.db2.gz OJMXQIHLGBCRLX-IFMALSPDSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1CC[NH+](C)CC1 ZINC000370129080 512782570 /nfs/dbraw/zinc/78/25/70/512782570.db2.gz KUWIRTHRMNCXFL-YLJYHZDGSA-N 1 3 358.530 2.538 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc2C1 ZINC000378500139 512793015 /nfs/dbraw/zinc/79/30/15/512793015.db2.gz WAUMMRHUTSBWCH-HMFYCAOWSA-N 1 3 373.541 2.959 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000376571887 512879137 /nfs/dbraw/zinc/87/91/37/512879137.db2.gz DCWKROWPXJSTQH-GSEOLPGOSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000376571887 512879144 /nfs/dbraw/zinc/87/91/44/512879144.db2.gz DCWKROWPXJSTQH-GSEOLPGOSA-N 1 3 356.514 2.575 20 0 FFADHO c1ccc(CN2CCN(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000390665591 512908360 /nfs/dbraw/zinc/90/83/60/512908360.db2.gz MTLZFQGAONVDPE-XPWALMASSA-N 1 3 370.585 2.705 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417647076 513135781 /nfs/dbraw/zinc/13/57/81/513135781.db2.gz DXQOIUUYYIBJKQ-RTWAWAEBSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417668911 513151252 /nfs/dbraw/zinc/15/12/52/513151252.db2.gz LGKRUAGLNMLCSO-ACRUOGEOSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428651105 513154078 /nfs/dbraw/zinc/15/40/78/513154078.db2.gz XDTOUPFEWIHWFH-YLJYHZDGSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000417690807 513164353 /nfs/dbraw/zinc/16/43/53/513164353.db2.gz LWSQIQVWZDTESH-IAGOWNOFSA-N 1 3 358.530 2.981 20 0 FFADHO CCCN(C(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000417693864 513166929 /nfs/dbraw/zinc/16/69/29/513166929.db2.gz RABRLFQGUCWAIN-YLJYHZDGSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](Cn1cccn1)NCc1cc(C[NH2+][C@@H](C)Cn2cccn2)ccc1F ZINC000450380445 513167497 /nfs/dbraw/zinc/16/74/97/513167497.db2.gz RTSOCGFFJYJTEO-DLBZAZTESA-N 1 3 370.476 2.575 20 0 FFADHO C[C@H]1C[NH+](CC2CCN(Cc3ccccc3C(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000417741608 513190313 /nfs/dbraw/zinc/19/03/13/513190313.db2.gz AJMYIJRXRLOBBV-ROUUACIJSA-N 1 3 373.541 2.710 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000433940232 513192805 /nfs/dbraw/zinc/19/28/05/513192805.db2.gz JKKXTOGUAPHTOJ-FFZOFVMBSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000433940232 513192808 /nfs/dbraw/zinc/19/28/08/513192808.db2.gz JKKXTOGUAPHTOJ-FFZOFVMBSA-N 1 3 360.546 2.662 20 0 FFADHO CN(CCc1cscn1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450476168 513212318 /nfs/dbraw/zinc/21/23/18/513212318.db2.gz NNTYANQXYRGFKP-UHFFFAOYSA-N 1 3 350.576 2.814 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417827228 513222991 /nfs/dbraw/zinc/22/29/91/513222991.db2.gz PIDNPWVIFRGILY-MISYRCLQSA-N 1 3 358.530 2.667 20 0 FFADHO FC(F)C[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000421374924 513240581 /nfs/dbraw/zinc/24/05/81/513240581.db2.gz PKWXYGPCZFFZER-IBGZPJMESA-N 1 3 367.484 2.769 20 0 FFADHO CC[NH+]1CCC(N2CCCN(CC3=Cc4ccccc4OC3)CC2)CC1 ZINC000421376455 513242510 /nfs/dbraw/zinc/24/25/10/513242510.db2.gz QISIHXZFFWDLEU-UHFFFAOYSA-N 1 3 355.526 2.954 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CN1Cc1ccccc1 ZINC000417865304 513245850 /nfs/dbraw/zinc/24/58/50/513245850.db2.gz CITVWBPKLNLBHA-ICSRJNTNSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000417867672 513246004 /nfs/dbraw/zinc/24/60/04/513246004.db2.gz FLWSWYCAQAOLFN-SPMPPSESSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCNC(C)(C)C1 ZINC000417886982 513255973 /nfs/dbraw/zinc/25/59/73/513255973.db2.gz IAUKOQZRPPTFSA-DZFIZOCASA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCNC(C)(C)C1 ZINC000417886982 513255980 /nfs/dbraw/zinc/25/59/80/513255980.db2.gz IAUKOQZRPPTFSA-DZFIZOCASA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CN1Cc1ccccc1 ZINC000417887377 513256847 /nfs/dbraw/zinc/25/68/47/513256847.db2.gz ZZDGMGOHCPJHDG-UIFIKXQLSA-N 1 3 370.541 2.681 20 0 FFADHO Cc1cc(NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)ccc1CN(C)C ZINC000415461982 513271447 /nfs/dbraw/zinc/27/14/47/513271447.db2.gz FRORYFUZGQSNBB-CQSZACIVSA-N 1 3 354.454 2.654 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC1 ZINC000429130058 513286154 /nfs/dbraw/zinc/28/61/54/513286154.db2.gz BUPOYZZBARWZOO-INIZCTEOSA-N 1 3 364.559 2.744 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000418065118 513358894 /nfs/dbraw/zinc/35/88/94/513358894.db2.gz LBETXJSSTUUPDP-MSOLQXFVSA-N 1 3 358.530 2.810 20 0 FFADHO Cc1cccc2c1ncc(C)c2N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000450889306 513385526 /nfs/dbraw/zinc/38/55/26/513385526.db2.gz CNXQGYYLPQZTHF-KRWDZBQOSA-N 1 3 352.482 2.642 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418145680 513389273 /nfs/dbraw/zinc/38/92/73/513389273.db2.gz ORINWIMPLJKSTL-UXPWSPDFSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000418158109 513396187 /nfs/dbraw/zinc/39/61/87/513396187.db2.gz PFNHEZKTABUZIN-KJNZLNQQSA-N 1 3 366.509 2.690 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418159365 513396592 /nfs/dbraw/zinc/39/65/92/513396592.db2.gz ABKHVLSZBGKCEW-SJORKVTESA-N 1 3 352.910 2.726 20 0 FFADHO CN(C)[C@@H]1CCC[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000429555969 513409582 /nfs/dbraw/zinc/40/95/82/513409582.db2.gz XHPIEMRUSFMBMH-LJQANCHMSA-N 1 3 356.518 2.927 20 0 FFADHO CN(C)[C@@H]1CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000429555969 513409586 /nfs/dbraw/zinc/40/95/86/513409586.db2.gz XHPIEMRUSFMBMH-LJQANCHMSA-N 1 3 356.518 2.927 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000429555969 513409591 /nfs/dbraw/zinc/40/95/91/513409591.db2.gz XHPIEMRUSFMBMH-LJQANCHMSA-N 1 3 356.518 2.927 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000418195510 513416546 /nfs/dbraw/zinc/41/65/46/513416546.db2.gz QDIFRMJGXKXTKW-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)N(C)C)cc1 ZINC000418239098 513437116 /nfs/dbraw/zinc/43/71/16/513437116.db2.gz YGINDRYAVGDFDA-CRAIPNDOSA-N 1 3 364.559 2.782 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCCC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000418285917 513452554 /nfs/dbraw/zinc/45/25/54/513452554.db2.gz GXJSZVIEBLTHLS-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000418313661 513458451 /nfs/dbraw/zinc/45/84/51/513458451.db2.gz RCDQMZRXMUKKMI-CMKODMSKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418316680 513460409 /nfs/dbraw/zinc/46/04/09/513460409.db2.gz LZVPGRAPRRZEAH-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418331977 513466779 /nfs/dbraw/zinc/46/67/79/513466779.db2.gz CZIWHYQDVMUAAN-YSVLISHTSA-N 1 3 352.910 2.630 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418330411 513467032 /nfs/dbraw/zinc/46/70/32/513467032.db2.gz BSZVZWNIZOFYLQ-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000415899427 513467855 /nfs/dbraw/zinc/46/78/55/513467855.db2.gz JTSNDDHAYKSCQH-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000415904827 513471195 /nfs/dbraw/zinc/47/11/95/513471195.db2.gz SLBZXOJXWJZIGX-UHFFFAOYSA-N 1 3 362.543 2.889 20 0 FFADHO CCOC(=O)CCCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441060189 513471481 /nfs/dbraw/zinc/47/14/81/513471481.db2.gz IUDZOZPKMDBDJQ-UHFFFAOYSA-N 1 3 353.551 2.600 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418354149 513480553 /nfs/dbraw/zinc/48/05/53/513480553.db2.gz WEEMERHFQOVKIE-CZTZKLFOSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418360499 513482766 /nfs/dbraw/zinc/48/27/66/513482766.db2.gz GGCWFFKQXDJBHV-RTBURBONSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418404496 513497834 /nfs/dbraw/zinc/49/78/34/513497834.db2.gz CNLDKTVCACELJR-VAMGGRTRSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000415992048 513522727 /nfs/dbraw/zinc/52/27/27/513522727.db2.gz ANKMGQBIRVSKSJ-BMFZPTHFSA-N 1 3 372.435 2.618 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000415994912 513525777 /nfs/dbraw/zinc/52/57/77/513525777.db2.gz JGVZEYBRJUUVQZ-BEFAXECRSA-N 1 3 360.502 2.548 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000415994912 513525783 /nfs/dbraw/zinc/52/57/83/513525783.db2.gz JGVZEYBRJUUVQZ-BEFAXECRSA-N 1 3 360.502 2.548 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000418490850 513530831 /nfs/dbraw/zinc/53/08/31/513530831.db2.gz NJORXYAUNMZCFJ-MGPUTAFESA-N 1 3 370.497 2.817 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418499845 513535044 /nfs/dbraw/zinc/53/50/44/513535044.db2.gz OQBGJNZZNDCBGM-MRXNPFEDSA-N 1 3 372.435 2.516 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503395 513536746 /nfs/dbraw/zinc/53/67/46/513536746.db2.gz YKILEICZZWQFSL-PMACEKPBSA-N 1 3 354.498 2.965 20 0 FFADHO CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000416013791 513539140 /nfs/dbraw/zinc/53/91/40/513539140.db2.gz URJRHHUGCPRZCN-CVEARBPZSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418521860 513542709 /nfs/dbraw/zinc/54/27/09/513542709.db2.gz RUMCUONOMGIRMO-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418533674 513546022 /nfs/dbraw/zinc/54/60/22/513546022.db2.gz DQWUQSYSWRDJSO-RBBKRZOGSA-N 1 3 372.557 2.930 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418536045 513547590 /nfs/dbraw/zinc/54/75/90/513547590.db2.gz ICJOYZBQNKVQRA-FUHWJXTLSA-N 1 3 352.910 2.632 20 0 FFADHO CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000416032766 513548303 /nfs/dbraw/zinc/54/83/03/513548303.db2.gz QMCIVIXDTDHNMW-JKSUJKDBSA-N 1 3 372.435 2.572 20 0 FFADHO CN1CCN(CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000441372210 513554871 /nfs/dbraw/zinc/55/48/71/513554871.db2.gz OHXRAUXBBRGGLY-UHFFFAOYSA-N 1 3 353.551 2.503 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418555576 513555554 /nfs/dbraw/zinc/55/55/54/513555554.db2.gz PGZAPXJEOKXBGA-AZUAARDMSA-N 1 3 358.530 2.990 20 0 FFADHO C[C@@]1(CNC(=O)N2CCCN(CCCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000418561201 513558683 /nfs/dbraw/zinc/55/86/83/513558683.db2.gz ZCDXXWPJFRIFKY-JOCHJYFZSA-N 1 3 372.557 2.726 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCCCC1 ZINC000441400179 513561267 /nfs/dbraw/zinc/56/12/67/513561267.db2.gz WJBQIQDUPLGXDS-AOIWGVFYSA-N 1 3 350.551 2.811 20 0 FFADHO CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000418584401 513566585 /nfs/dbraw/zinc/56/65/85/513566585.db2.gz BZPUCVDFKHDGAG-FQEVSTJZSA-N 1 3 358.530 2.810 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C ZINC000435380268 513570127 /nfs/dbraw/zinc/57/01/27/513570127.db2.gz MYDIUAUPWBEIRV-IBGZPJMESA-N 1 3 360.498 2.819 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418623964 513581512 /nfs/dbraw/zinc/58/15/12/513581512.db2.gz YBKCYQHJUAAMPY-SFHVURJKSA-N 1 3 354.498 2.677 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418628221 513582667 /nfs/dbraw/zinc/58/26/67/513582667.db2.gz BWIQDDJBXUITQE-YYWHXJBOSA-N 1 3 368.525 2.532 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418628221 513582674 /nfs/dbraw/zinc/58/26/74/513582674.db2.gz BWIQDDJBXUITQE-YYWHXJBOSA-N 1 3 368.525 2.532 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000418647277 513590078 /nfs/dbraw/zinc/59/00/78/513590078.db2.gz GPSFEDQINJPTCA-AZUAARDMSA-N 1 3 358.530 2.909 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418652420 513592620 /nfs/dbraw/zinc/59/26/20/513592620.db2.gz ZRHYZYPCGVAOOP-QFIPXVFZSA-N 1 3 368.525 2.604 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418655715 513596391 /nfs/dbraw/zinc/59/63/91/513596391.db2.gz DBSCYBRFZKHORF-DZFGPLHGSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000418665226 513601649 /nfs/dbraw/zinc/60/16/49/513601649.db2.gz BOMVVJYPGZUDBK-LEWJYISDSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418671043 513604882 /nfs/dbraw/zinc/60/48/82/513604882.db2.gz LEWIKNVJVMDHPT-HXUWFJFHSA-N 1 3 369.513 2.635 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccco1 ZINC000422198547 513634174 /nfs/dbraw/zinc/63/41/74/513634174.db2.gz HHWDCLTZKXBBNT-RDHHWEPZSA-N 1 3 350.507 2.881 20 0 FFADHO CN(CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435623890 513640909 /nfs/dbraw/zinc/64/09/09/513640909.db2.gz HVPRDIUMFJVFDJ-HNNXBMFYSA-N 1 3 354.292 2.852 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H]1c1ccccc1 ZINC000447993709 513651554 /nfs/dbraw/zinc/65/15/54/513651554.db2.gz ZYCJSHKQDPLOLM-FHWLQOOXSA-N 1 3 358.530 2.851 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H]1c1ccccc1 ZINC000447993709 513651555 /nfs/dbraw/zinc/65/15/55/513651555.db2.gz ZYCJSHKQDPLOLM-FHWLQOOXSA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000422251875 513659958 /nfs/dbraw/zinc/65/99/58/513659958.db2.gz AORWRRJDHDPKMO-ABHNRTSZSA-N 1 3 350.482 2.600 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435769229 513680490 /nfs/dbraw/zinc/68/04/90/513680490.db2.gz JKWLHSXLXUOOIH-IEBWSBKVSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435769229 513680498 /nfs/dbraw/zinc/68/04/98/513680498.db2.gz JKWLHSXLXUOOIH-IEBWSBKVSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000430558186 513687878 /nfs/dbraw/zinc/68/78/78/513687878.db2.gz VHFIKUBXINHKOG-NWDGAFQWSA-N 1 3 372.282 2.976 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)CC1 ZINC000425714545 513714369 /nfs/dbraw/zinc/71/43/69/513714369.db2.gz HPINBASLUNQQOL-DCCYDQLOSA-N 1 3 362.562 2.765 20 0 FFADHO COCC[C@]1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000430726901 513734965 /nfs/dbraw/zinc/73/49/65/513734965.db2.gz WQDLQYGZJDPZHN-RCZSKKKRSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765047 513774021 /nfs/dbraw/zinc/77/40/21/513774021.db2.gz UPGWYSPQRXLNBW-MSOLQXFVSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765047 513774027 /nfs/dbraw/zinc/77/40/27/513774027.db2.gz UPGWYSPQRXLNBW-MSOLQXFVSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765047 513774030 /nfs/dbraw/zinc/77/40/30/513774030.db2.gz UPGWYSPQRXLNBW-MSOLQXFVSA-N 1 3 351.494 2.951 20 0 FFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000442873720 513801273 /nfs/dbraw/zinc/80/12/73/513801273.db2.gz LEKZGVQRZAQSEI-GOSISDBHSA-N 1 3 360.546 2.636 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000443063092 513858271 /nfs/dbraw/zinc/85/82/71/513858271.db2.gz VTVWPTYNLBSWHQ-LBPRGKRZSA-N 1 3 361.383 2.522 20 0 FFADHO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443064133 513858846 /nfs/dbraw/zinc/85/88/46/513858846.db2.gz BXKKFTXBHVGWDS-CVEARBPZSA-N 1 3 367.921 2.627 20 0 FFADHO C[C@H]1C[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)C(=O)N1c1ccccc1 ZINC000436471494 513863673 /nfs/dbraw/zinc/86/36/73/513863673.db2.gz UHNMQAOQCGSFID-OXJNMPFZSA-N 1 3 350.466 2.834 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cscc1C ZINC000426262351 513888311 /nfs/dbraw/zinc/88/83/11/513888311.db2.gz WUMYMWAPBUBXSD-KRWDZBQOSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cscc1C ZINC000426262351 513888317 /nfs/dbraw/zinc/88/83/17/513888317.db2.gz WUMYMWAPBUBXSD-KRWDZBQOSA-N 1 3 352.548 2.614 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422700837 513906340 /nfs/dbraw/zinc/90/63/40/513906340.db2.gz CKISCRLQXSLZNJ-APHBMKBZSA-N 1 3 368.403 2.733 20 0 FFADHO OC1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422741082 513919509 /nfs/dbraw/zinc/91/95/09/513919509.db2.gz NTKDOXIORFHAGX-BHIFYINESA-N 1 3 357.542 2.654 20 0 FFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422771693 513927028 /nfs/dbraw/zinc/92/70/28/513927028.db2.gz YFTIYUQGKGVYPF-MTQWCTHYSA-N 1 3 361.505 2.850 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422787402 513932237 /nfs/dbraw/zinc/93/22/37/513932237.db2.gz QFSADXMTOCZBEX-KYNGSXCRSA-N 1 3 351.922 2.646 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422797929 513936383 /nfs/dbraw/zinc/93/63/83/513936383.db2.gz PCVODDSSSNWGRS-DJIMGWMZSA-N 1 3 360.420 2.986 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000422798363 513936456 /nfs/dbraw/zinc/93/64/56/513936456.db2.gz QUGBYUPIITWBAT-AVRGHOLYSA-N 1 3 357.292 2.558 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCN(c2ccccc2)CC1 ZINC000422809344 513939323 /nfs/dbraw/zinc/93/93/23/513939323.db2.gz MATAYEQFDJEFGX-NFBKMPQASA-N 1 3 366.553 2.747 20 0 FFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000422809344 513939327 /nfs/dbraw/zinc/93/93/27/513939327.db2.gz MATAYEQFDJEFGX-NFBKMPQASA-N 1 3 366.553 2.747 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832227 513945782 /nfs/dbraw/zinc/94/57/82/513945782.db2.gz KVNOXAFDIYVKPB-WMLDXEAASA-N 1 3 366.431 3.451 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422888221 513964796 /nfs/dbraw/zinc/96/47/96/513964796.db2.gz CDLCGNXEQMLKJN-RJGXRXQPSA-N 1 3 370.585 2.834 20 0 FFADHO CCN1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422889850 513965706 /nfs/dbraw/zinc/96/57/06/513965706.db2.gz GZZNWDSGEGZFFT-XPWALMASSA-N 1 3 370.585 2.834 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000431684497 513967618 /nfs/dbraw/zinc/96/76/18/513967618.db2.gz FZUCKNZXYGMKHU-LNLFQRSKSA-N 1 3 370.607 2.624 20 0 FFADHO COc1ccc(Cl)cc1C1(CN[C@@H](C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000422896726 513968713 /nfs/dbraw/zinc/96/87/13/513968713.db2.gz ARGWXEYQVCGBMG-LSDHHAIUSA-N 1 3 352.906 2.984 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416792702 513969683 /nfs/dbraw/zinc/96/96/83/513969683.db2.gz YMTPHGOGQYSBRP-NJDAHSKKSA-N 1 3 370.541 2.855 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000414106582 513977527 /nfs/dbraw/zinc/97/75/27/513977527.db2.gz XOCCITZGSJZOKY-ZDUSSCGKSA-N 1 3 370.335 2.852 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccccc1 ZINC000416812959 513978774 /nfs/dbraw/zinc/97/87/74/513978774.db2.gz SXDLUGNUJVLTKR-RBUKOAKNSA-N 1 3 358.530 2.709 20 0 FFADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935813 513981793 /nfs/dbraw/zinc/98/17/93/513981793.db2.gz DVPPKDDARAPFHP-VXGBXAGGSA-N 1 3 373.291 2.625 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)ncn1 ZINC000422986005 513998095 /nfs/dbraw/zinc/99/80/95/513998095.db2.gz GHZCHAAYOROCSU-UXPWSPDFSA-N 1 3 353.514 2.556 20 0 FFADHO C[C@@H]1[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@H]1c1ccccc1 ZINC000414182447 514000410 /nfs/dbraw/zinc/00/04/10/514000410.db2.gz DGXDBNBVVBWDDT-CEWLAPEOSA-N 1 3 357.542 2.565 20 0 FFADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179851 514000946 /nfs/dbraw/zinc/00/09/46/514000946.db2.gz APFOKNCSOWXMOM-PMACEKPBSA-N 1 3 351.579 2.978 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)(N2CCOCC2)CC1 ZINC000414185697 514001628 /nfs/dbraw/zinc/00/16/28/514001628.db2.gz HANGWUSBHYWYQM-GOSISDBHSA-N 1 3 361.530 2.679 20 0 FFADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414182724 514002223 /nfs/dbraw/zinc/00/22/23/514002223.db2.gz DGXDBNBVVBWDDT-TYPHKJRUSA-N 1 3 357.542 2.565 20 0 FFADHO Cc1ccc(CC[C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414195692 514007782 /nfs/dbraw/zinc/00/77/82/514007782.db2.gz OFVPPCAQPAEGKS-HXUWFJFHSA-N 1 3 359.558 2.702 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000443622332 514008448 /nfs/dbraw/zinc/00/84/48/514008448.db2.gz BLFWVZQQCVTNAA-UMGGQSCQSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000443622332 514008454 /nfs/dbraw/zinc/00/84/54/514008454.db2.gz BLFWVZQQCVTNAA-UMGGQSCQSA-N 1 3 358.530 2.804 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416859960 514009721 /nfs/dbraw/zinc/00/97/21/514009721.db2.gz VCHUHCPSBRKWIG-PKOBYXMFSA-N 1 3 362.518 2.649 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(F)c(F)c(F)c1 ZINC000414204776 514010756 /nfs/dbraw/zinc/01/07/56/514010756.db2.gz WRQMPCWYARTNAC-AWEZNQCLSA-N 1 3 371.447 2.551 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCOc3cc(F)ccc32)CC[NH2+]CC1 ZINC000423040335 514015408 /nfs/dbraw/zinc/01/54/08/514015408.db2.gz GVAJBOHLKBTWJC-WMLDXEAASA-N 1 3 364.461 2.950 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423052182 514019976 /nfs/dbraw/zinc/01/99/76/514019976.db2.gz PYNDINUVASZBBJ-OSMBCOQSSA-N 1 3 359.436 2.650 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423060206 514022771 /nfs/dbraw/zinc/02/27/71/514022771.db2.gz HPXCSIKVVMBIHY-KNCOVGOOSA-N 1 3 357.420 2.626 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416903592 514037776 /nfs/dbraw/zinc/03/77/76/514037776.db2.gz CKRNQVZPFFNSPO-GOSISDBHSA-N 1 3 362.518 2.519 20 0 FFADHO COC[C@H](Cc1ccccc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414308001 514042687 /nfs/dbraw/zinc/04/26/87/514042687.db2.gz PVGLUQNOBMELJZ-QFIPXVFZSA-N 1 3 368.521 2.861 20 0 FFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(I)cc1 ZINC000423106789 514043628 /nfs/dbraw/zinc/04/36/28/514043628.db2.gz DGMFSLRDYNCSEC-WFASDCNBSA-N 1 3 374.266 2.648 20 0 FFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423110186 514044999 /nfs/dbraw/zinc/04/49/99/514044999.db2.gz OSOGQFSUIUNAEO-QKPAOTATSA-N 1 3 361.452 2.830 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423112355 514045090 /nfs/dbraw/zinc/04/50/90/514045090.db2.gz JVPJHVDPURGHKO-XSDIEEQYSA-N 1 3 355.526 2.730 20 0 FFADHO Fc1ccc2c(c1)C[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000423128031 514052493 /nfs/dbraw/zinc/05/24/93/514052493.db2.gz UQUVVDVQJUCCOS-YRISNDGFSA-N 1 3 354.425 2.975 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150773 514061467 /nfs/dbraw/zinc/06/14/67/514061467.db2.gz CGYVWUAWKYZYFG-MRRJBJDNSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150773 514061474 /nfs/dbraw/zinc/06/14/74/514061474.db2.gz CGYVWUAWKYZYFG-MRRJBJDNSA-N 1 3 373.310 2.717 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C(F)(F)F)C1 ZINC000432019534 514068425 /nfs/dbraw/zinc/06/84/25/514068425.db2.gz PUVUXUMWDYNHLP-APIJFGDWSA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C(F)(F)F)C1 ZINC000432019534 514068432 /nfs/dbraw/zinc/06/84/32/514068432.db2.gz PUVUXUMWDYNHLP-APIJFGDWSA-N 1 3 361.452 2.638 20 0 FFADHO OC[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423173849 514069204 /nfs/dbraw/zinc/06/92/04/514069204.db2.gz AIEIARZYCFSLFN-LDQXTDLNSA-N 1 3 356.441 2.747 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000416963341 514071542 /nfs/dbraw/zinc/07/15/42/514071542.db2.gz RLPHWOWIQGMFOS-HXUWFJFHSA-N 1 3 366.509 2.966 20 0 FFADHO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416966612 514072781 /nfs/dbraw/zinc/07/27/81/514072781.db2.gz VWNATJDZVIVECX-INIZCTEOSA-N 1 3 354.498 2.904 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000416972947 514078852 /nfs/dbraw/zinc/07/88/52/514078852.db2.gz JGDUIJDVFQVFQN-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000416972947 514078855 /nfs/dbraw/zinc/07/88/55/514078855.db2.gz JGDUIJDVFQVFQN-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO Cc1nc2n(n1)C[C@@H](NC1CC[NH+]([C@H](C)Cc3ccccc3)CC1)CC2 ZINC000449114938 514079175 /nfs/dbraw/zinc/07/91/75/514079175.db2.gz FUGFYNUUSOFTSB-UZLBHIALSA-N 1 3 353.514 2.587 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000416973992 514080327 /nfs/dbraw/zinc/08/03/27/514080327.db2.gz KLAIUNDJEUPGGG-BZSNNMDCSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000416973992 514080332 /nfs/dbraw/zinc/08/03/32/514080332.db2.gz KLAIUNDJEUPGGG-BZSNNMDCSA-N 1 3 358.530 2.953 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000416981744 514089794 /nfs/dbraw/zinc/08/97/94/514089794.db2.gz VNDYNGYLPSNMNW-PKOBYXMFSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@H](C(=O)N1CCSc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331639 514098580 /nfs/dbraw/zinc/09/85/80/514098580.db2.gz RBTYSQPEMPGMEE-IXDOHACOSA-N 1 3 359.539 2.835 20 0 FFADHO CCCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417005516 514111328 /nfs/dbraw/zinc/11/13/28/514111328.db2.gz DLIIRMRUHLTXLL-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO FC(F)(F)[C@H](CN[C@@H]1CCCc2c3ccccc3[nH]c21)N1CC[NH2+]CC1 ZINC000423397611 514128347 /nfs/dbraw/zinc/12/83/47/514128347.db2.gz SRGSPQHGCFDXNK-SJORKVTESA-N 1 3 366.431 2.971 20 0 FFADHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1OCC(=O)N(C)C ZINC000423396083 514128434 /nfs/dbraw/zinc/12/84/34/514128434.db2.gz SDIVACQVZRAMCJ-HXUWFJFHSA-N 1 3 367.493 2.998 20 0 FFADHO CCC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC)cc1 ZINC000423398421 514130234 /nfs/dbraw/zinc/13/02/34/514130234.db2.gz VJMJQFCJWXNVCZ-IRXDYDNUSA-N 1 3 359.436 2.962 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1(C)C ZINC000444185944 514148148 /nfs/dbraw/zinc/14/81/48/514148148.db2.gz QFBRXHGUFYKLDK-DENIHFKCSA-N 1 3 373.541 2.821 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000417065465 514150387 /nfs/dbraw/zinc/15/03/87/514150387.db2.gz KIAANLSMRZEQBB-LJQANCHMSA-N 1 3 358.530 2.668 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417086276 514161415 /nfs/dbraw/zinc/16/14/15/514161415.db2.gz DTZHMNMUBFVXQI-QFIPXVFZSA-N 1 3 370.541 2.608 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCN2CCCO)CC1 ZINC000449389804 514191039 /nfs/dbraw/zinc/19/10/39/514191039.db2.gz UCNJXFNOEKJSKT-UGKGYDQZSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000449398724 514197402 /nfs/dbraw/zinc/19/74/02/514197402.db2.gz WDJVVYNUFUYBTD-KNQAVFIVSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCCCN2CCO)CC1 ZINC000449398724 514197406 /nfs/dbraw/zinc/19/74/06/514197406.db2.gz WDJVVYNUFUYBTD-KNQAVFIVSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](N)c1ccccc1 ZINC000423777832 514225940 /nfs/dbraw/zinc/22/59/40/514225940.db2.gz CEZIHFJXXKDTKA-OXQOHEQNSA-N 1 3 352.482 2.750 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000417219136 514239699 /nfs/dbraw/zinc/23/96/99/514239699.db2.gz IHEPPXYPFYEKHH-JRGCBEDISA-N 1 3 370.541 2.996 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000414681663 514240786 /nfs/dbraw/zinc/24/07/86/514240786.db2.gz WIINKJNGWQAQAA-AWEZNQCLSA-N 1 3 369.431 2.867 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000414681663 514240793 /nfs/dbraw/zinc/24/07/93/514240793.db2.gz WIINKJNGWQAQAA-AWEZNQCLSA-N 1 3 369.431 2.867 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)C1 ZINC000414737221 514264547 /nfs/dbraw/zinc/26/45/47/514264547.db2.gz AGIPLCLAUCGOQX-GCJKJVERSA-N 1 3 355.526 2.554 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)C1 ZINC000414737221 514264555 /nfs/dbraw/zinc/26/45/55/514264555.db2.gz AGIPLCLAUCGOQX-GCJKJVERSA-N 1 3 355.526 2.554 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@](C)(C[NH3+])C(C)C)c(C)c2)CC1 ZINC000414751911 514273918 /nfs/dbraw/zinc/27/39/18/514273918.db2.gz OGVFDSSQSCNSET-HXUWFJFHSA-N 1 3 361.534 2.632 20 0 FFADHO CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414753657 514275857 /nfs/dbraw/zinc/27/58/57/514275857.db2.gz MSRZGDIPFGAJGD-PMACEKPBSA-N 1 3 357.542 2.872 20 0 FFADHO CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414753657 514275859 /nfs/dbraw/zinc/27/58/59/514275859.db2.gz MSRZGDIPFGAJGD-PMACEKPBSA-N 1 3 357.542 2.872 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414769819 514283045 /nfs/dbraw/zinc/28/30/45/514283045.db2.gz KVGZBGGJCFAYPX-UXHICEINSA-N 1 3 358.461 2.648 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000423916697 514287353 /nfs/dbraw/zinc/28/73/53/514287353.db2.gz ZGOURVXGTJGFQZ-BVOGOJNSSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000423916697 514287360 /nfs/dbraw/zinc/28/73/60/514287360.db2.gz ZGOURVXGTJGFQZ-BVOGOJNSSA-N 1 3 355.526 2.888 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc(Br)c2c(c1)OCCO2 ZINC000414793783 514297245 /nfs/dbraw/zinc/29/72/45/514297245.db2.gz DYIWBIJTMBFUIU-OCCSQVGLSA-N 1 3 355.276 2.827 20 0 FFADHO [NH3+]C[C@@H](NC1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414816881 514308124 /nfs/dbraw/zinc/30/81/24/514308124.db2.gz YLFLVLIJTRDJFT-QGZVFWFLSA-N 1 3 352.320 2.740 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417355670 514309164 /nfs/dbraw/zinc/30/91/64/514309164.db2.gz BAYICETVMJGMQM-HNNXBMFYSA-N 1 3 352.548 2.777 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000417356198 514309796 /nfs/dbraw/zinc/30/97/96/514309796.db2.gz BWURFFJTUHHOGL-SJORKVTESA-N 1 3 364.559 2.744 20 0 FFADHO CC[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCc2ccccc2C1 ZINC000420812069 514313766 /nfs/dbraw/zinc/31/37/66/514313766.db2.gz WVCQPEPLCYUICU-KBWCOIMZSA-N 1 3 372.557 2.995 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417367741 514316083 /nfs/dbraw/zinc/31/60/83/514316083.db2.gz PFMXWZFNIZZMKZ-DLBZAZTESA-N 1 3 364.559 2.649 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000417376396 514321612 /nfs/dbraw/zinc/32/16/12/514321612.db2.gz DMJCGXQUNBWNFU-KRWDZBQOSA-N 1 3 364.559 2.792 20 0 FFADHO COc1cc(Br)c(CNCC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000414849859 514322611 /nfs/dbraw/zinc/32/26/11/514322611.db2.gz MILFCLQJNIZNRA-LBPRGKRZSA-N 1 3 357.292 2.946 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417383144 514323740 /nfs/dbraw/zinc/32/37/40/514323740.db2.gz WVRQSDNOLJNDOQ-FGTMMUONSA-N 1 3 363.571 2.626 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414901962 514348011 /nfs/dbraw/zinc/34/80/11/514348011.db2.gz HFNVNLVWIWUWKH-TZMCWYRMSA-N 1 3 354.292 2.898 20 0 FFADHO FC(F)(F)[C@H](CNCc1cccc(OC2CCCC2)c1)N1CC[NH2+]CC1 ZINC000414964789 514379206 /nfs/dbraw/zinc/37/92/06/514379206.db2.gz CFNVZMIVAMZFFR-SFHVURJKSA-N 1 3 371.447 2.934 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000420929067 514381014 /nfs/dbraw/zinc/38/10/14/514381014.db2.gz CGMKAFGUNWFUMZ-GGAORHGYSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000420929067 514381019 /nfs/dbraw/zinc/38/10/19/514381019.db2.gz CGMKAFGUNWFUMZ-GGAORHGYSA-N 1 3 369.553 2.968 20 0 FFADHO N[C@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000417507607 514386554 /nfs/dbraw/zinc/38/65/54/514386554.db2.gz RYRKYYWEYKDEGP-TZIWHRDSSA-N 1 3 366.509 2.550 20 0 FFADHO N[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000417507607 514386561 /nfs/dbraw/zinc/38/65/61/514386561.db2.gz RYRKYYWEYKDEGP-TZIWHRDSSA-N 1 3 366.509 2.550 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2cccc(C[N@H+]3C[C@H](CO)C[C@H](C)C3)c2)C1 ZINC000420947507 514395594 /nfs/dbraw/zinc/39/55/94/514395594.db2.gz TZHSCOLDWMSXPZ-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2cccc(C[N@@H+]3C[C@H](CO)C[C@H](C)C3)c2)C1 ZINC000420947507 514395599 /nfs/dbraw/zinc/39/55/99/514395599.db2.gz TZHSCOLDWMSXPZ-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(CN3C[C@H](CO)C[C@H](C)C3)c2)C1 ZINC000420947507 514395605 /nfs/dbraw/zinc/39/56/05/514395605.db2.gz TZHSCOLDWMSXPZ-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(CN3C[C@H](CO)C[C@H](C)C3)c2)C1 ZINC000420947507 514395613 /nfs/dbraw/zinc/39/56/13/514395613.db2.gz TZHSCOLDWMSXPZ-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO [NH3+]C[C@@H]1CC[C@H](NCc2c(F)ccc(I)c2F)C1 ZINC000415033155 514408702 /nfs/dbraw/zinc/40/87/02/514408702.db2.gz IRFNOOADPWDQGC-BDAKNGLRSA-N 1 3 366.193 2.786 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N(C)Cc1ccccc1 ZINC000417563848 514409675 /nfs/dbraw/zinc/40/96/75/514409675.db2.gz DTHZUWLRWQGBQR-PXNSSMCTSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)N(C)Cc1ccccc1 ZINC000417562765 514409936 /nfs/dbraw/zinc/40/99/36/514409936.db2.gz CTTHGFYDEBIQFX-LJQANCHMSA-N 1 3 368.525 2.720 20 0 FFADHO C[C@H](CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000424218123 514420358 /nfs/dbraw/zinc/42/03/58/514420358.db2.gz QSYSZAABANFEGZ-BVOGOJNSSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000421018473 514440776 /nfs/dbraw/zinc/44/07/76/514440776.db2.gz MQYWTEFUFYFQLC-OALUTQOASA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000421018473 514440783 /nfs/dbraw/zinc/44/07/83/514440783.db2.gz MQYWTEFUFYFQLC-OALUTQOASA-N 1 3 367.578 2.702 20 0 FFADHO Cc1ccc(SCCNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424302053 514449929 /nfs/dbraw/zinc/44/99/29/514449929.db2.gz YVAZSYPTKVTBRG-KRWDZBQOSA-N 1 3 361.555 2.667 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000433376754 514476449 /nfs/dbraw/zinc/47/64/49/514476449.db2.gz KNLPYXGVABWVEU-QWFCFKBJSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000433376754 514476456 /nfs/dbraw/zinc/47/64/56/514476456.db2.gz KNLPYXGVABWVEU-QWFCFKBJSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433570004 514517871 /nfs/dbraw/zinc/51/78/71/514517871.db2.gz UMHNYTFIFMYLOS-PKOBYXMFSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433570004 514517877 /nfs/dbraw/zinc/51/78/77/514517877.db2.gz UMHNYTFIFMYLOS-PKOBYXMFSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)([NH+](C)C)C1 ZINC000458004045 514525829 /nfs/dbraw/zinc/52/58/29/514525829.db2.gz NWASNPONMQKPEU-YZGWKJHDSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000455463416 514538015 /nfs/dbraw/zinc/53/80/15/514538015.db2.gz YFRGJDUFFMIUHY-PANBIXPWSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000455463416 514538017 /nfs/dbraw/zinc/53/80/17/514538017.db2.gz YFRGJDUFFMIUHY-PANBIXPWSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@@H+]1C ZINC000466036111 514545174 /nfs/dbraw/zinc/54/51/74/514545174.db2.gz DONCWOVZSIPLRI-PZJWPPBQSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@H+]1C ZINC000466036111 514545175 /nfs/dbraw/zinc/54/51/75/514545175.db2.gz DONCWOVZSIPLRI-PZJWPPBQSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[N@@H+]1C ZINC000466037833 514545614 /nfs/dbraw/zinc/54/56/14/514545614.db2.gz JOGNSZWRPFHSPX-HPFXQQBRSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000466037833 514545622 /nfs/dbraw/zinc/54/56/22/514545622.db2.gz JOGNSZWRPFHSPX-HPFXQQBRSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000466044231 514547692 /nfs/dbraw/zinc/54/76/92/514547692.db2.gz TVUITJDUFWSLKZ-MAUKXSAKSA-N 1 3 366.937 2.896 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000466044231 514547693 /nfs/dbraw/zinc/54/76/93/514547693.db2.gz TVUITJDUFWSLKZ-MAUKXSAKSA-N 1 3 366.937 2.896 20 0 FFADHO COCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453123192 514551010 /nfs/dbraw/zinc/55/10/10/514551010.db2.gz QTZJVYYPZYPZHK-VSKRKVRLSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CN1Cc1ccccc1 ZINC000455517398 514569742 /nfs/dbraw/zinc/56/97/42/514569742.db2.gz AVMMMHGFZIWTBQ-PXNSSMCTSA-N 1 3 370.541 2.966 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000466220849 514580262 /nfs/dbraw/zinc/58/02/62/514580262.db2.gz DHFCUAFBQBZYIN-LDQXTDLNSA-N 1 3 370.541 2.605 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000466220849 514580269 /nfs/dbraw/zinc/58/02/69/514580269.db2.gz DHFCUAFBQBZYIN-LDQXTDLNSA-N 1 3 370.541 2.605 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466221665 514580749 /nfs/dbraw/zinc/58/07/49/514580749.db2.gz VXCNHQSYPHLPBM-JXFKEZNVSA-N 1 3 358.530 2.809 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466221665 514580755 /nfs/dbraw/zinc/58/07/55/514580755.db2.gz VXCNHQSYPHLPBM-JXFKEZNVSA-N 1 3 358.530 2.809 20 0 FFADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453258615 514581609 /nfs/dbraw/zinc/58/16/09/514581609.db2.gz HYUSDUTWGKOWLX-SSGKUCQKSA-N 1 3 371.569 2.866 20 0 FFADHO CC/C=C/CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453331026 514602378 /nfs/dbraw/zinc/60/23/78/514602378.db2.gz VJANUSBYWCLRMV-FYCOFBDGSA-N 1 3 353.532 2.533 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461420654 514611047 /nfs/dbraw/zinc/61/10/47/514611047.db2.gz ARSPAMIISKENKI-PCCBWWKXSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461420654 514611056 /nfs/dbraw/zinc/61/10/56/514611056.db2.gz ARSPAMIISKENKI-PCCBWWKXSA-N 1 3 355.526 2.841 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461445481 514618829 /nfs/dbraw/zinc/61/88/29/514618829.db2.gz RWPZXBRQLYEFFN-FKBYEOEOSA-N 1 3 367.537 2.841 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461445481 514618834 /nfs/dbraw/zinc/61/88/34/514618834.db2.gz RWPZXBRQLYEFFN-FKBYEOEOSA-N 1 3 367.537 2.841 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000466420713 514643961 /nfs/dbraw/zinc/64/39/61/514643961.db2.gz FNIUYSJQCPRAID-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000497842784 514655802 /nfs/dbraw/zinc/65/58/02/514655802.db2.gz LTXKXRYUTDVCFD-RTBURBONSA-N 1 3 364.509 2.992 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000497842784 514655809 /nfs/dbraw/zinc/65/58/09/514655809.db2.gz LTXKXRYUTDVCFD-RTBURBONSA-N 1 3 364.509 2.992 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000466553000 514687888 /nfs/dbraw/zinc/68/78/88/514687888.db2.gz RFHAKIFKPAPQQI-SEONNTABSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466553000 514687899 /nfs/dbraw/zinc/68/78/99/514687899.db2.gz RFHAKIFKPAPQQI-SEONNTABSA-N 1 3 370.541 2.679 20 0 FFADHO CC(C)(C)c1nc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cs1 ZINC000479687428 514688731 /nfs/dbraw/zinc/68/87/31/514688731.db2.gz DXHXNXYOXWICOZ-UHFFFAOYSA-N 1 3 350.576 2.948 20 0 FFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479693363 514690294 /nfs/dbraw/zinc/69/02/94/514690294.db2.gz OHQKDRCWEIUWRA-KRWDZBQOSA-N 1 3 369.513 2.805 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000489071350 514693594 /nfs/dbraw/zinc/69/35/94/514693594.db2.gz IXIQQEGBVWRGSL-LMNJBCLMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000489071350 514693597 /nfs/dbraw/zinc/69/35/97/514693597.db2.gz IXIQQEGBVWRGSL-LMNJBCLMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)C1 ZINC000489080115 514699415 /nfs/dbraw/zinc/69/94/15/514699415.db2.gz SWQSCQQSTXSWPA-WNRNVDISSA-N 1 3 352.567 2.725 20 0 FFADHO [NH3+]CCCN(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000479771794 514719170 /nfs/dbraw/zinc/71/91/70/514719170.db2.gz BZUBLSIEHJNBLU-UHFFFAOYSA-N 1 3 355.438 2.595 20 0 FFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000479818265 514734352 /nfs/dbraw/zinc/73/43/52/514734352.db2.gz QRWGAJFKGJRYEC-RXVVDRJESA-N 1 3 370.541 2.703 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N(C)Cc1ccccc1 ZINC000458364998 514736895 /nfs/dbraw/zinc/73/68/95/514736895.db2.gz BIKQIFGYFOACEP-WIYYLYMNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N(C)Cc1ccccc1 ZINC000458364998 514736904 /nfs/dbraw/zinc/73/69/04/514736904.db2.gz BIKQIFGYFOACEP-WIYYLYMNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502757866 514763805 /nfs/dbraw/zinc/76/38/05/514763805.db2.gz ALKGBOAAISYRMV-CKVGWXAMSA-N 1 3 362.562 2.811 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000458403428 514770639 /nfs/dbraw/zinc/77/06/39/514770639.db2.gz IQOKXXCSBXFIFJ-MAUKXSAKSA-N 1 3 362.543 2.547 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000458403428 514770647 /nfs/dbraw/zinc/77/06/47/514770647.db2.gz IQOKXXCSBXFIFJ-MAUKXSAKSA-N 1 3 362.543 2.547 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[NH+]1CCCC1 ZINC000498126068 514772842 /nfs/dbraw/zinc/77/28/42/514772842.db2.gz MTKVKKIXUUVUNH-FHWLQOOXSA-N 1 3 350.551 2.623 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000458419569 514781689 /nfs/dbraw/zinc/78/16/89/514781689.db2.gz QOSYBPUQWBQVPM-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000458419569 514781693 /nfs/dbraw/zinc/78/16/93/514781693.db2.gz QOSYBPUQWBQVPM-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498177927 514790741 /nfs/dbraw/zinc/79/07/41/514790741.db2.gz YYGSQMIYCXDARR-GOSISDBHSA-N 1 3 361.555 2.582 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498177927 514790747 /nfs/dbraw/zinc/79/07/47/514790747.db2.gz YYGSQMIYCXDARR-GOSISDBHSA-N 1 3 361.555 2.582 20 0 FFADHO CS[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@H]1N(C)C ZINC000455873635 514802832 /nfs/dbraw/zinc/80/28/32/514802832.db2.gz ZUCKSQMRIIVHOC-KZNAEPCWSA-N 1 3 362.543 2.745 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000458454336 514809529 /nfs/dbraw/zinc/80/95/29/514809529.db2.gz JZVXESGIYPYOIT-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000502895503 514832393 /nfs/dbraw/zinc/83/23/93/514832393.db2.gz IHDFTWITJHYZRI-ICSRJNTNSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000502895503 514832406 /nfs/dbraw/zinc/83/24/06/514832406.db2.gz IHDFTWITJHYZRI-ICSRJNTNSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000502895505 514834989 /nfs/dbraw/zinc/83/49/89/514834989.db2.gz IHDFTWITJHYZRI-UYAOXDASSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000502895505 514834996 /nfs/dbraw/zinc/83/49/96/514834996.db2.gz IHDFTWITJHYZRI-UYAOXDASSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462201589 514938008 /nfs/dbraw/zinc/93/80/08/514938008.db2.gz UPRPELBRVKHXNV-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462201836 514938714 /nfs/dbraw/zinc/93/87/14/514938714.db2.gz UPRPELBRVKHXNV-NSHGMRRFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462214523 514942331 /nfs/dbraw/zinc/94/23/31/514942331.db2.gz NLBBEMXTLVHEBR-YFVAEKQCSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000462214523 514942341 /nfs/dbraw/zinc/94/23/41/514942341.db2.gz NLBBEMXTLVHEBR-YFVAEKQCSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498572777 514978457 /nfs/dbraw/zinc/97/84/57/514978457.db2.gz BKXNIWPPFXPMMM-SFHVURJKSA-N 1 3 371.447 2.897 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498572777 514978468 /nfs/dbraw/zinc/97/84/68/514978468.db2.gz BKXNIWPPFXPMMM-SFHVURJKSA-N 1 3 371.447 2.897 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489831653 514991946 /nfs/dbraw/zinc/99/19/46/514991946.db2.gz NYYCQNNFWUCRJO-SFHLNBCPSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489831653 514991951 /nfs/dbraw/zinc/99/19/51/514991951.db2.gz NYYCQNNFWUCRJO-SFHLNBCPSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498704598 515032606 /nfs/dbraw/zinc/03/26/06/515032606.db2.gz BBTVXPUQEFEKRB-CMKODMSKSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498704598 515032612 /nfs/dbraw/zinc/03/26/12/515032612.db2.gz BBTVXPUQEFEKRB-CMKODMSKSA-N 1 3 358.530 2.633 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000458743738 515060699 /nfs/dbraw/zinc/06/06/99/515060699.db2.gz OGAZSWAZFDBNOK-IRLDBZIGSA-N 1 3 370.541 2.636 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000458743738 515060700 /nfs/dbraw/zinc/06/07/00/515060700.db2.gz OGAZSWAZFDBNOK-IRLDBZIGSA-N 1 3 370.541 2.636 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CCC[NH+]3CCCC3)cc2)CC1 ZINC000467665366 515072753 /nfs/dbraw/zinc/07/27/53/515072753.db2.gz GILJOTDJBZEQQG-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO Cc1ccc([C@H]2C[C@H](C)N(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000490027475 515074076 /nfs/dbraw/zinc/07/40/76/515074076.db2.gz AUCVTADIPPCEKJ-HKUYNNGSSA-N 1 3 355.526 2.916 20 0 FFADHO Cc1ccc([C@H]2C[C@@H](C)N(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000490027488 515074302 /nfs/dbraw/zinc/07/43/02/515074302.db2.gz AUCVTADIPPCEKJ-MJGOQNOKSA-N 1 3 355.526 2.916 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000458776366 515084325 /nfs/dbraw/zinc/08/43/25/515084325.db2.gz RSTYYWHBELGUSC-GVDBMIGSSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000458776366 515084335 /nfs/dbraw/zinc/08/43/35/515084335.db2.gz RSTYYWHBELGUSC-GVDBMIGSSA-N 1 3 350.507 2.740 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480798605 515086331 /nfs/dbraw/zinc/08/63/31/515086331.db2.gz WNJKSWSXNZJOMM-TZIWHRDSSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480798605 515086343 /nfs/dbraw/zinc/08/63/43/515086343.db2.gz WNJKSWSXNZJOMM-TZIWHRDSSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCCCCC1 ZINC000481027057 515179071 /nfs/dbraw/zinc/17/90/71/515179071.db2.gz UPJYFSQSRNKJSS-MJGOQNOKSA-N 1 3 370.607 2.624 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000499101639 515200036 /nfs/dbraw/zinc/20/00/36/515200036.db2.gz OQTIABOZVQBCMZ-SQNIBIBYSA-N 1 3 350.482 2.600 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000509566577 515235637 /nfs/dbraw/zinc/23/56/37/515235637.db2.gz GGAWGHDPEMYRFM-IKGGRYGDSA-N 1 3 350.507 2.882 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000509566577 515235649 /nfs/dbraw/zinc/23/56/49/515235649.db2.gz GGAWGHDPEMYRFM-IKGGRYGDSA-N 1 3 350.507 2.882 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000504181908 515239330 /nfs/dbraw/zinc/23/93/30/515239330.db2.gz NQFBIXHFTSRUIV-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccco1 ZINC000509611484 515256421 /nfs/dbraw/zinc/25/64/21/515256421.db2.gz QMEKLUYCBWFAPS-MWDXBVQZSA-N 1 3 350.507 2.690 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000509611484 515256428 /nfs/dbraw/zinc/25/64/28/515256428.db2.gz QMEKLUYCBWFAPS-MWDXBVQZSA-N 1 3 350.507 2.690 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000504289600 515262987 /nfs/dbraw/zinc/26/29/87/515262987.db2.gz NLWKRWLAGYXMFJ-AQNXPRMDSA-N 1 3 358.530 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000504289600 515262994 /nfs/dbraw/zinc/26/29/94/515262994.db2.gz NLWKRWLAGYXMFJ-AQNXPRMDSA-N 1 3 358.530 2.778 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000504295649 515263879 /nfs/dbraw/zinc/26/38/79/515263879.db2.gz LZSYMELTDVWVCY-VQTJNVASSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000504295649 515263888 /nfs/dbraw/zinc/26/38/88/515263888.db2.gz LZSYMELTDVWVCY-VQTJNVASSA-N 1 3 370.541 2.749 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000504295208 515265301 /nfs/dbraw/zinc/26/53/01/515265301.db2.gz HYEJYFVUHQIAJY-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000504295208 515265311 /nfs/dbraw/zinc/26/53/11/515265311.db2.gz HYEJYFVUHQIAJY-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000499316580 515281700 /nfs/dbraw/zinc/28/17/00/515281700.db2.gz OYZQGGHFKCMAOH-LMMKCTJWSA-N 1 3 360.546 2.925 20 0 FFADHO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459043005 515282043 /nfs/dbraw/zinc/28/20/43/515282043.db2.gz CRCRSBKYNCAIBA-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459043005 515282054 /nfs/dbraw/zinc/28/20/54/515282054.db2.gz CRCRSBKYNCAIBA-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CN1CCC2(CCCN2C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000509688723 515291996 /nfs/dbraw/zinc/29/19/96/515291996.db2.gz OFBSBGLZYLKXAM-UHFFFAOYSA-N 1 3 360.502 2.719 20 0 FFADHO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000459097966 515320253 /nfs/dbraw/zinc/32/02/53/515320253.db2.gz JFALYLOSGSGWLH-UHFFFAOYSA-N 1 3 362.562 2.911 20 0 FFADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000463000387 515330104 /nfs/dbraw/zinc/33/01/04/515330104.db2.gz BBZLUSRBPWNCHW-AZUAARDMSA-N 1 3 360.546 2.925 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000463046613 515348142 /nfs/dbraw/zinc/34/81/42/515348142.db2.gz AKFOMRNNAAWSTJ-MAUKXSAKSA-N 1 3 356.470 2.876 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000463046613 515348151 /nfs/dbraw/zinc/34/81/51/515348151.db2.gz AKFOMRNNAAWSTJ-MAUKXSAKSA-N 1 3 356.470 2.876 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000463063579 515355056 /nfs/dbraw/zinc/35/50/56/515355056.db2.gz IOFZLXPIABLUPE-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000463063579 515355063 /nfs/dbraw/zinc/35/50/63/515355063.db2.gz IOFZLXPIABLUPE-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2ccccc21 ZINC000499527258 515358026 /nfs/dbraw/zinc/35/80/26/515358026.db2.gz LIZKYSPZFUMKPQ-CTNGQTDRSA-N 1 3 357.542 2.981 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2ccccc21 ZINC000499527258 515358035 /nfs/dbraw/zinc/35/80/35/515358035.db2.gz LIZKYSPZFUMKPQ-CTNGQTDRSA-N 1 3 357.542 2.981 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000454277884 515360741 /nfs/dbraw/zinc/36/07/41/515360741.db2.gz ZLVNTTXCEQQYJM-DZFGPLHGSA-N 1 3 370.541 2.764 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000454277884 515360753 /nfs/dbraw/zinc/36/07/53/515360753.db2.gz ZLVNTTXCEQQYJM-DZFGPLHGSA-N 1 3 370.541 2.764 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000477267371 515392516 /nfs/dbraw/zinc/39/25/16/515392516.db2.gz SCBZWOSFEFUKNX-FUHWJXTLSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000477267371 515392527 /nfs/dbraw/zinc/39/25/27/515392527.db2.gz SCBZWOSFEFUKNX-FUHWJXTLSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000463264710 515423533 /nfs/dbraw/zinc/42/35/33/515423533.db2.gz GSMXBSZFBDWBDF-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CC(C(C)(C)C)C3)CC2)CC1 ZINC000454450589 515499533 /nfs/dbraw/zinc/49/95/33/515499533.db2.gz HYCOLAPAKPVYGO-UHFFFAOYSA-N 1 3 350.551 2.669 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000468753798 515503657 /nfs/dbraw/zinc/50/36/57/515503657.db2.gz ACRCWCQWLRQDGR-UHFFFAOYSA-N 1 3 373.497 2.677 20 0 FFADHO COc1ccccc1[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N(C)C ZINC000459374050 515508186 /nfs/dbraw/zinc/50/81/86/515508186.db2.gz SNNHTLJRTSZSNM-FQEVSTJZSA-N 1 3 354.498 2.952 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000481951693 515525048 /nfs/dbraw/zinc/52/50/48/515525048.db2.gz RTMULVGXUWPJFH-ATZDWAIDSA-N 1 3 351.922 2.643 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000481951693 515525057 /nfs/dbraw/zinc/52/50/57/515525057.db2.gz RTMULVGXUWPJFH-ATZDWAIDSA-N 1 3 351.922 2.643 20 0 FFADHO CCCCN1CCC([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000481978197 515533842 /nfs/dbraw/zinc/53/38/42/515533842.db2.gz ZWSRLCIUFYGEMN-OAHLLOKOSA-N 1 3 353.532 2.973 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000459421797 515542290 /nfs/dbraw/zinc/54/22/90/515542290.db2.gz WYCHXWJZAHOJMU-NQIIRXRSSA-N 1 3 360.546 2.777 20 0 FFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1cccc(Cl)c1 ZINC000459445003 515557134 /nfs/dbraw/zinc/55/71/34/515557134.db2.gz ROEXRWRGMYWSRN-FQEVSTJZSA-N 1 3 373.928 2.761 20 0 FFADHO Cc1cc(C)c(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000492909666 515576216 /nfs/dbraw/zinc/57/62/16/515576216.db2.gz FKFOHLYBWGBJMW-LJQANCHMSA-N 1 3 360.546 2.508 20 0 FFADHO NC(=O)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1Cl ZINC000459473138 515577293 /nfs/dbraw/zinc/57/72/93/515577293.db2.gz AVNRNNDVRSFUIN-MRXNPFEDSA-N 1 3 372.900 2.638 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000492934204 515577746 /nfs/dbraw/zinc/57/77/46/515577746.db2.gz AXZOTRBDARRRRU-UHFFFAOYSA-N 1 3 354.336 2.907 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)n(C2CC2)c1C ZINC000505787589 515673021 /nfs/dbraw/zinc/67/30/21/515673021.db2.gz CDUQXISXJGGMGY-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)n(C2CC2)c1C ZINC000505787589 515673032 /nfs/dbraw/zinc/67/30/32/515673032.db2.gz CDUQXISXJGGMGY-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO COc1ccc2oc([C@@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)c(C)c2c1 ZINC000482552736 515719207 /nfs/dbraw/zinc/71/92/07/515719207.db2.gz ITEVTFKQKVKWPW-CVEARBPZSA-N 1 3 373.497 2.988 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000487551690 515901354 /nfs/dbraw/zinc/90/13/54/515901354.db2.gz VSMUUCHEILYFMD-GHTZIAJQSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000487551690 515901360 /nfs/dbraw/zinc/90/13/60/515901360.db2.gz VSMUUCHEILYFMD-GHTZIAJQSA-N 1 3 372.557 2.675 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccco1 ZINC000494648604 515908528 /nfs/dbraw/zinc/90/85/28/515908528.db2.gz NMCMUDQDVPFCDG-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccco1 ZINC000494648604 515908532 /nfs/dbraw/zinc/90/85/32/515908532.db2.gz NMCMUDQDVPFCDG-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000457487227 515910735 /nfs/dbraw/zinc/91/07/35/515910735.db2.gz ILUOEMVXQSEEEC-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000457487227 515910746 /nfs/dbraw/zinc/91/07/46/515910746.db2.gz ILUOEMVXQSEEEC-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501024928 515941191 /nfs/dbraw/zinc/94/11/91/515941191.db2.gz OWYOLENVMXMBDF-XLIONFOSSA-N 1 3 358.530 2.925 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)[C@H](C)C1 ZINC000469790469 515968239 /nfs/dbraw/zinc/96/82/39/515968239.db2.gz KACHOZPOXDAFEJ-QYZOEREBSA-N 1 3 367.578 2.750 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000501319519 516061093 /nfs/dbraw/zinc/06/10/93/516061093.db2.gz CLVQTOXSBABFHY-QGZVFWFLSA-N 1 3 372.517 2.751 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000501319519 516061102 /nfs/dbraw/zinc/06/11/02/516061102.db2.gz CLVQTOXSBABFHY-QGZVFWFLSA-N 1 3 372.517 2.751 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000474515945 516076506 /nfs/dbraw/zinc/07/65/06/516076506.db2.gz OOMQSGXJBNUFRK-YOUFYPILSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000474515945 516076517 /nfs/dbraw/zinc/07/65/17/516076517.db2.gz OOMQSGXJBNUFRK-YOUFYPILSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488007383 516078096 /nfs/dbraw/zinc/07/80/96/516078096.db2.gz HCNGACQVSKEZFT-HCXYKTFWSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488007383 516078103 /nfs/dbraw/zinc/07/81/03/516078103.db2.gz HCNGACQVSKEZFT-HCXYKTFWSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@@H+]1CCC[C@H](C)C1 ZINC000457699753 516078835 /nfs/dbraw/zinc/07/88/35/516078835.db2.gz WZZHBSXOYBYKFB-DLBZAZTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@H+]1CCC[C@H](C)C1 ZINC000457699753 516078842 /nfs/dbraw/zinc/07/88/42/516078842.db2.gz WZZHBSXOYBYKFB-DLBZAZTESA-N 1 3 366.575 2.942 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000470012276 516080285 /nfs/dbraw/zinc/08/02/85/516080285.db2.gz GNCDBZMPCUOCDJ-IBGZPJMESA-N 1 3 355.457 2.780 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457733758 516105969 /nfs/dbraw/zinc/10/59/69/516105969.db2.gz KCPXYBHRIBCZOH-MSOLQXFVSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457733758 516105976 /nfs/dbraw/zinc/10/59/76/516105976.db2.gz KCPXYBHRIBCZOH-MSOLQXFVSA-N 1 3 350.551 2.624 20 0 FFADHO NC[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000479230649 516119671 /nfs/dbraw/zinc/11/96/71/516119671.db2.gz VMQLOQVMSLHOAH-NRFANRHFSA-N 1 3 369.484 2.691 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457756837 516126136 /nfs/dbraw/zinc/12/61/36/516126136.db2.gz ZCYQPISHJLULGG-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457756837 516126150 /nfs/dbraw/zinc/12/61/50/516126150.db2.gz ZCYQPISHJLULGG-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)CC1 ZINC000470149983 516146582 /nfs/dbraw/zinc/14/65/82/516146582.db2.gz VMZHTRYPYYLZBG-HKUYNNGSSA-N 1 3 359.514 2.602 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)CC1 ZINC000470149983 516146592 /nfs/dbraw/zinc/14/65/92/516146592.db2.gz VMZHTRYPYYLZBG-HKUYNNGSSA-N 1 3 359.514 2.602 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000501547605 516148657 /nfs/dbraw/zinc/14/86/57/516148657.db2.gz BLUGVPPJNOCJKK-GGPKGHCWSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000501547605 516148667 /nfs/dbraw/zinc/14/86/67/516148667.db2.gz BLUGVPPJNOCJKK-GGPKGHCWSA-N 1 3 360.546 2.721 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000457808065 516163918 /nfs/dbraw/zinc/16/39/18/516163918.db2.gz WTMQJKJIVLPTIN-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000457808065 516163927 /nfs/dbraw/zinc/16/39/27/516163927.db2.gz WTMQJKJIVLPTIN-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO CC[N@H+](CCNC(=O)NCC1(N2CCSCC2)CCCCC1)C(C)C ZINC000483675020 516165240 /nfs/dbraw/zinc/16/52/40/516165240.db2.gz ZXZQWTKQBRYUFF-UHFFFAOYSA-N 1 3 370.607 2.768 20 0 FFADHO CC[N@@H+](CCNC(=O)NCC1(N2CCSCC2)CCCCC1)C(C)C ZINC000483675020 516165243 /nfs/dbraw/zinc/16/52/43/516165243.db2.gz ZXZQWTKQBRYUFF-UHFFFAOYSA-N 1 3 370.607 2.768 20 0 FFADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc2c(c1)CNC2 ZINC000470375564 516226947 /nfs/dbraw/zinc/22/69/47/516226947.db2.gz OOXJUEIRTRFAEL-UHFFFAOYSA-N 1 3 359.539 2.771 20 0 FFADHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512314663 516235366 /nfs/dbraw/zinc/23/53/66/516235366.db2.gz OBFUWLJARDYNMO-FUHWJXTLSA-N 1 3 367.484 2.990 20 0 FFADHO CCNC(=O)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000488479333 516236793 /nfs/dbraw/zinc/23/67/93/516236793.db2.gz AZBIIJYMFUFYFO-SLFFLAALSA-N 1 3 355.526 2.793 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457935774 516239597 /nfs/dbraw/zinc/23/95/97/516239597.db2.gz ODBWDUOVBAPMBH-FXAWDEMLSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457935774 516239605 /nfs/dbraw/zinc/23/96/05/516239605.db2.gz ODBWDUOVBAPMBH-FXAWDEMLSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457945537 516246447 /nfs/dbraw/zinc/24/64/47/516246447.db2.gz UUEPOXGKYNVLPA-IRXDYDNUSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457945537 516246454 /nfs/dbraw/zinc/24/64/54/516246454.db2.gz UUEPOXGKYNVLPA-IRXDYDNUSA-N 1 3 350.551 2.623 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000465817092 516264277 /nfs/dbraw/zinc/26/42/77/516264277.db2.gz SNAFYLKBSDCZKQ-IHPCNDPISA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000465817092 516264283 /nfs/dbraw/zinc/26/42/83/516264283.db2.gz SNAFYLKBSDCZKQ-IHPCNDPISA-N 1 3 358.530 2.914 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cccc(Cl)c1 ZINC000512417977 516271870 /nfs/dbraw/zinc/27/18/70/516271870.db2.gz ITQBUCZYPAVISR-QGZVFWFLSA-N 1 3 367.921 2.593 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cccc(Cl)c1 ZINC000512417977 516271872 /nfs/dbraw/zinc/27/18/72/516271872.db2.gz ITQBUCZYPAVISR-QGZVFWFLSA-N 1 3 367.921 2.593 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000465873543 516276750 /nfs/dbraw/zinc/27/67/50/516276750.db2.gz JQHIWDRVPVGKSX-PMACEKPBSA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000465873543 516276755 /nfs/dbraw/zinc/27/67/55/516276755.db2.gz JQHIWDRVPVGKSX-PMACEKPBSA-N 1 3 372.557 2.774 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCN1C ZINC000465873781 516277659 /nfs/dbraw/zinc/27/76/59/516277659.db2.gz QNFOHARUTLSDCT-NEWSRXKRSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCN1C ZINC000465873781 516277663 /nfs/dbraw/zinc/27/76/63/516277663.db2.gz QNFOHARUTLSDCT-NEWSRXKRSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000502020845 516286389 /nfs/dbraw/zinc/28/63/89/516286389.db2.gz VXSIFJDVZYQOKA-XLIONFOSSA-N 1 3 358.530 2.988 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000502020845 516286395 /nfs/dbraw/zinc/28/63/95/516286395.db2.gz VXSIFJDVZYQOKA-XLIONFOSSA-N 1 3 358.530 2.988 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000488689704 516287720 /nfs/dbraw/zinc/28/77/20/516287720.db2.gz VWJOVOSTWVMIAC-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000502121830 516306158 /nfs/dbraw/zinc/30/61/58/516306158.db2.gz KDJQRRTYAITIFV-LPHOPBHVSA-N 1 3 364.509 2.992 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(Cl)s3)CC2)CC1 ZINC000512656229 516318913 /nfs/dbraw/zinc/31/89/13/516318913.db2.gz FWJUGTGXIFIJJF-UHFFFAOYSA-N 1 3 355.935 2.619 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000497436371 516322408 /nfs/dbraw/zinc/32/24/08/516322408.db2.gz IQLJJOLSAUAJKT-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000497436371 516322409 /nfs/dbraw/zinc/32/24/09/516322409.db2.gz IQLJJOLSAUAJKT-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN2CCSC[C@@H]2CCO)CC1 ZINC000539911885 516348813 /nfs/dbraw/zinc/34/88/13/516348813.db2.gz RMYIHBOCPMVKBY-IBGZPJMESA-N 1 3 363.571 2.518 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000517737916 516433459 /nfs/dbraw/zinc/43/34/59/516433459.db2.gz OHWJSVBMLHAWSY-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000517737916 516433467 /nfs/dbraw/zinc/43/34/67/516433467.db2.gz OHWJSVBMLHAWSY-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1C ZINC000540083215 516435758 /nfs/dbraw/zinc/43/57/58/516435758.db2.gz ZXDZCYKVSYXCLP-XLIONFOSSA-N 1 3 373.545 2.812 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1C ZINC000540083215 516435765 /nfs/dbraw/zinc/43/57/65/516435765.db2.gz ZXDZCYKVSYXCLP-XLIONFOSSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000561194366 516441603 /nfs/dbraw/zinc/44/16/03/516441603.db2.gz DJGQNMZDYHOHCQ-SLYNCCJLSA-N 1 3 358.530 2.586 20 0 FFADHO CO[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccc(F)cc1 ZINC000528444381 516441909 /nfs/dbraw/zinc/44/19/09/516441909.db2.gz DADWPVWCOSTYOM-FQEVSTJZSA-N 1 3 363.521 2.863 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523352652 516446749 /nfs/dbraw/zinc/44/67/49/516446749.db2.gz AYTHPTGLSXSUIL-ICSRJNTNSA-N 1 3 372.557 2.920 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523352652 516446756 /nfs/dbraw/zinc/44/67/56/516446756.db2.gz AYTHPTGLSXSUIL-ICSRJNTNSA-N 1 3 372.557 2.920 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523352653 516447607 /nfs/dbraw/zinc/44/76/07/516447607.db2.gz AYTHPTGLSXSUIL-QUCCMNQESA-N 1 3 372.557 2.920 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523352653 516447615 /nfs/dbraw/zinc/44/76/15/516447615.db2.gz AYTHPTGLSXSUIL-QUCCMNQESA-N 1 3 372.557 2.920 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000523352923 516447878 /nfs/dbraw/zinc/44/78/78/516447878.db2.gz VBUCTYIUYXHMCR-LJQANCHMSA-N 1 3 372.557 2.677 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000523352923 516447881 /nfs/dbraw/zinc/44/78/81/516447881.db2.gz VBUCTYIUYXHMCR-LJQANCHMSA-N 1 3 372.557 2.677 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000540176433 516462064 /nfs/dbraw/zinc/46/20/64/516462064.db2.gz QKVMYMUTZTWLNK-FXQLRMTLSA-N 1 3 352.441 2.701 20 0 FFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523474645 516478438 /nfs/dbraw/zinc/47/84/38/516478438.db2.gz JJVIUZBADQMWRZ-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000523474645 516478449 /nfs/dbraw/zinc/47/84/49/516478449.db2.gz JJVIUZBADQMWRZ-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000517899925 516485395 /nfs/dbraw/zinc/48/53/95/516485395.db2.gz BMEHSLGNKNJFQA-DYESRHJHSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc2n[nH]cc2c1 ZINC000513201823 516518097 /nfs/dbraw/zinc/51/80/97/516518097.db2.gz RCEDJGWIASPZGJ-YWZLYKJASA-N 1 3 365.481 2.633 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)N(C)C)cc1 ZINC000535940777 516565829 /nfs/dbraw/zinc/56/58/29/516565829.db2.gz OYTJQJRXTQXZMA-NHCUHLMSSA-N 1 3 372.557 2.971 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cc(C)cc(C)c1 ZINC000523750363 516566861 /nfs/dbraw/zinc/56/68/61/516566861.db2.gz JCYSDSDJMPYZKN-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cc(C)cc(C)c1 ZINC000523750363 516566869 /nfs/dbraw/zinc/56/68/69/516566869.db2.gz JCYSDSDJMPYZKN-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO C[C@H]1CCC[C@](CNC(=O)N2CCN(C3CCCC3)CC2)([NH+](C)C)C1 ZINC000518364949 516629771 /nfs/dbraw/zinc/62/97/71/516629771.db2.gz YKHHVMCMXULGRE-PXNSSMCTSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CSc2ccccc21 ZINC000524024625 516630390 /nfs/dbraw/zinc/63/03/90/516630390.db2.gz NGGJINJAQWIOMK-SJLPKXTDSA-N 1 3 361.555 2.750 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CSc2ccccc21 ZINC000524024625 516630394 /nfs/dbraw/zinc/63/03/94/516630394.db2.gz NGGJINJAQWIOMK-SJLPKXTDSA-N 1 3 361.555 2.750 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N(C)C ZINC000561553872 516649158 /nfs/dbraw/zinc/64/91/58/516649158.db2.gz JXZQSWSYRSIZKS-NSHGMRRFSA-N 1 3 358.530 2.866 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000554881840 516678361 /nfs/dbraw/zinc/67/83/61/516678361.db2.gz FKQVHMMWWVBNSN-HZPDHXFCSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c(OC)c1 ZINC000554881840 516678372 /nfs/dbraw/zinc/67/83/72/516678372.db2.gz FKQVHMMWWVBNSN-HZPDHXFCSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c(OC)c1 ZINC000554881840 516678381 /nfs/dbraw/zinc/67/83/81/516678381.db2.gz FKQVHMMWWVBNSN-HZPDHXFCSA-N 1 3 363.502 2.741 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000518499083 516682706 /nfs/dbraw/zinc/68/27/06/516682706.db2.gz HEGVXUSDDGJXCR-HSALFYBXSA-N 1 3 358.530 2.841 20 0 FFADHO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000513656629 516709103 /nfs/dbraw/zinc/70/91/03/516709103.db2.gz WAIQUFIPPIWMGI-TUFLPTIASA-N 1 3 365.525 2.873 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524474456 516731684 /nfs/dbraw/zinc/73/16/84/516731684.db2.gz UNQVKQJUTDRRFU-PMACEKPBSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524474185 516732375 /nfs/dbraw/zinc/73/23/75/516732375.db2.gz IROAYZKFGDULAJ-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524474185 516732387 /nfs/dbraw/zinc/73/23/87/516732387.db2.gz IROAYZKFGDULAJ-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000558465529 516757229 /nfs/dbraw/zinc/75/72/29/516757229.db2.gz DZCNWMAASSIROT-GOSISDBHSA-N 1 3 353.576 2.813 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000561771452 516763746 /nfs/dbraw/zinc/76/37/46/516763746.db2.gz QLTWZCIEMMMZQU-YOEHRIQHSA-N 1 3 357.420 2.507 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@H]1C ZINC000524880386 516856374 /nfs/dbraw/zinc/85/63/74/516856374.db2.gz VGLROFGDSWAWGB-RLLQIKCJSA-N 1 3 358.530 2.625 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@H]1C ZINC000524880386 516856387 /nfs/dbraw/zinc/85/63/87/516856387.db2.gz VGLROFGDSWAWGB-RLLQIKCJSA-N 1 3 358.530 2.625 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000524878204 516857017 /nfs/dbraw/zinc/85/70/17/516857017.db2.gz XIEOQOGTESLYAC-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000524878204 516857024 /nfs/dbraw/zinc/85/70/24/516857024.db2.gz XIEOQOGTESLYAC-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000532211106 516857869 /nfs/dbraw/zinc/85/78/69/516857869.db2.gz YCKJBKPFSSYONE-UHFFFAOYSA-N 1 3 360.420 2.953 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(F)c1 ZINC000536625769 516859957 /nfs/dbraw/zinc/85/99/57/516859957.db2.gz QFKQFCWTFQWZRF-HNNXBMFYSA-N 1 3 357.901 2.520 20 0 FFADHO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551763107 516860022 /nfs/dbraw/zinc/86/00/22/516860022.db2.gz RSCPOGKHVLZQIM-CQSZACIVSA-N 1 3 357.951 2.772 20 0 FFADHO CCCN(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000524959189 516878195 /nfs/dbraw/zinc/87/81/95/516878195.db2.gz UJRSNFFUVNWBRS-UHFFFAOYSA-N 1 3 370.335 2.681 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC000514220485 516909274 /nfs/dbraw/zinc/90/92/74/516909274.db2.gz YBJNZBYTMGJWMT-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC000514220485 516909286 /nfs/dbraw/zinc/90/92/86/516909286.db2.gz YBJNZBYTMGJWMT-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000555422486 516921657 /nfs/dbraw/zinc/92/16/57/516921657.db2.gz XHXVNMSQWFBTJD-UHFFFAOYSA-N 1 3 370.497 2.507 20 0 FFADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000544895893 516981326 /nfs/dbraw/zinc/98/13/26/516981326.db2.gz VHRXOZHBVXOCKZ-HNNXBMFYSA-N 1 3 353.532 2.831 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529289635 517054467 /nfs/dbraw/zinc/05/44/67/517054467.db2.gz KYHYULWFIBDZIE-IBGZPJMESA-N 1 3 356.514 2.756 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2cccc(OC)c21 ZINC000555684293 517063362 /nfs/dbraw/zinc/06/33/62/517063362.db2.gz XSUNDRLPZPXCRS-MOPGFXCFSA-N 1 3 373.541 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2cccc(OC)c21 ZINC000555684293 517063371 /nfs/dbraw/zinc/06/33/71/517063371.db2.gz XSUNDRLPZPXCRS-MOPGFXCFSA-N 1 3 373.541 2.600 20 0 FFADHO CN1CCC[N@H+](CCCN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541544771 517106175 /nfs/dbraw/zinc/10/61/75/517106175.db2.gz BIMGAUWTUUFSEJ-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO CN1CCC[N@@H+](CCCN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541544771 517106183 /nfs/dbraw/zinc/10/61/83/517106183.db2.gz BIMGAUWTUUFSEJ-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO C[N@@H+]1CCCN(CCCN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541544771 517106192 /nfs/dbraw/zinc/10/61/92/517106192.db2.gz BIMGAUWTUUFSEJ-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO C[N@H+]1CCCN(CCCN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541544771 517106201 /nfs/dbraw/zinc/10/62/01/517106201.db2.gz BIMGAUWTUUFSEJ-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000537359551 517154871 /nfs/dbraw/zinc/15/48/71/517154871.db2.gz UTKIIAVQDJEKFH-UHFFFAOYSA-N 1 3 364.877 2.560 20 0 FFADHO C[C@@H](NC(=O)CCN(C)c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541855277 517253144 /nfs/dbraw/zinc/25/31/44/517253144.db2.gz OZFTUTQEBZSKNR-UYAOXDASSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@@H](NC(=O)CCN(C)c1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541855277 517253153 /nfs/dbraw/zinc/25/31/53/517253153.db2.gz OZFTUTQEBZSKNR-UYAOXDASSA-N 1 3 366.509 2.935 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000515223113 517259992 /nfs/dbraw/zinc/25/99/92/517259992.db2.gz GDHFPYQXUVGYIH-PMACEKPBSA-N 1 3 358.530 2.983 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000533046955 517267270 /nfs/dbraw/zinc/26/72/70/517267270.db2.gz MQYBRQAFTXFNTO-NHCUHLMSSA-N 1 3 372.557 2.920 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000533046955 517267274 /nfs/dbraw/zinc/26/72/74/517267274.db2.gz MQYBRQAFTXFNTO-NHCUHLMSSA-N 1 3 372.557 2.920 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000520199334 517296939 /nfs/dbraw/zinc/29/69/39/517296939.db2.gz CYOKIQDVWKIBJU-AZUAARDMSA-N 1 3 352.482 2.668 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000529716802 517307817 /nfs/dbraw/zinc/30/78/17/517307817.db2.gz DVJZTFIQYJBSCD-PZJWPPBQSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000529716802 517307828 /nfs/dbraw/zinc/30/78/28/517307828.db2.gz DVJZTFIQYJBSCD-PZJWPPBQSA-N 1 3 370.541 2.817 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1)CC1CC1 ZINC000537815880 517356679 /nfs/dbraw/zinc/35/66/79/517356679.db2.gz JDUMOLXCSURKGV-IBGZPJMESA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1)CC1CC1 ZINC000537815880 517356668 /nfs/dbraw/zinc/35/66/68/517356668.db2.gz JDUMOLXCSURKGV-IBGZPJMESA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000562772476 517384186 /nfs/dbraw/zinc/38/41/86/517384186.db2.gz AUTCDQBQPVMEIQ-INIZCTEOSA-N 1 3 360.502 2.658 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000562772476 517384195 /nfs/dbraw/zinc/38/41/95/517384195.db2.gz AUTCDQBQPVMEIQ-INIZCTEOSA-N 1 3 360.502 2.658 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000559767093 517419924 /nfs/dbraw/zinc/41/99/24/517419924.db2.gz PJVMNPPNRXGBFN-KRWDZBQOSA-N 1 3 362.518 2.965 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000562815164 517426821 /nfs/dbraw/zinc/42/68/21/517426821.db2.gz JVSBAEJDFGFBOX-QHAWAJNXSA-N 1 3 366.509 2.965 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000562815164 517426827 /nfs/dbraw/zinc/42/68/27/517426827.db2.gz JVSBAEJDFGFBOX-QHAWAJNXSA-N 1 3 366.509 2.965 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515790093 517475977 /nfs/dbraw/zinc/47/59/77/517475977.db2.gz CKDSDOMSVZDHBE-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515790093 517475984 /nfs/dbraw/zinc/47/59/84/517475984.db2.gz CKDSDOMSVZDHBE-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000515841322 517492664 /nfs/dbraw/zinc/49/26/64/517492664.db2.gz QHPSZAKZJQGMQN-XLIONFOSSA-N 1 3 360.546 2.883 20 0 FFADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000562958877 517533405 /nfs/dbraw/zinc/53/34/05/517533405.db2.gz ZKPZPRJKVPWDRI-NNNWTRQLSA-N 1 3 357.498 2.525 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000562977573 517551218 /nfs/dbraw/zinc/55/12/18/517551218.db2.gz BMAHCTZVWGQBPA-STZQEDGTSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000562977573 517551230 /nfs/dbraw/zinc/55/12/30/517551230.db2.gz BMAHCTZVWGQBPA-STZQEDGTSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520953338 517559671 /nfs/dbraw/zinc/55/96/71/517559671.db2.gz ZKQWJPDGQUTXHJ-HKUYNNGSSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520953338 517559678 /nfs/dbraw/zinc/55/96/78/517559678.db2.gz ZKQWJPDGQUTXHJ-HKUYNNGSSA-N 1 3 361.505 2.886 20 0 FFADHO C/C=C/c1ccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000562987479 517561148 /nfs/dbraw/zinc/56/11/48/517561148.db2.gz XOOLHWCSTSXDEL-RTLBZRNLSA-N 1 3 360.498 2.684 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccsc4C3)CC2)CC1 ZINC000553211735 517578936 /nfs/dbraw/zinc/57/89/36/517578936.db2.gz FDDSJRDLLSYJPU-UHFFFAOYSA-N 1 3 361.555 2.829 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cnc21 ZINC000530249088 517653102 /nfs/dbraw/zinc/65/31/02/517653102.db2.gz UCKHCDTUWWLJRD-LJQANCHMSA-N 1 3 357.502 2.603 20 0 FFADHO c1cnc(Oc2ccc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2)cn1 ZINC000530248861 517654073 /nfs/dbraw/zinc/65/40/73/517654073.db2.gz QWRABRCRYZGAML-HXUWFJFHSA-N 1 3 368.481 2.859 20 0 FFADHO Fc1ccccc1-c1n[nH]cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247532 517654118 /nfs/dbraw/zinc/65/41/18/517654118.db2.gz AILKWECQQYDXSN-KRWDZBQOSA-N 1 3 358.461 2.806 20 0 FFADHO Cc1ncc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000530247904 517654957 /nfs/dbraw/zinc/65/49/57/517654957.db2.gz CQSIHCIRSQVELL-OAQYLSRUSA-N 1 3 354.498 2.771 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCN3CCO[C@H](C)C3)C2)s1 ZINC000563216132 517744839 /nfs/dbraw/zinc/74/48/39/517744839.db2.gz JESYGKJSUFYQLV-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCN3CCO[C@H](C)C3)C2)s1 ZINC000563216132 517744848 /nfs/dbraw/zinc/74/48/48/517744848.db2.gz JESYGKJSUFYQLV-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCN3CCO[C@H](C)C3)C2)s1 ZINC000563216132 517744859 /nfs/dbraw/zinc/74/48/59/517744859.db2.gz JESYGKJSUFYQLV-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCN3CCO[C@H](C)C3)C2)s1 ZINC000563216132 517744868 /nfs/dbraw/zinc/74/48/68/517744868.db2.gz JESYGKJSUFYQLV-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1C1CC1 ZINC000521474407 517746286 /nfs/dbraw/zinc/74/62/86/517746286.db2.gz XNLBXOJXOKFSIP-DDHJSBNISA-N 1 3 361.452 2.637 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1C1CC1 ZINC000521474407 517746295 /nfs/dbraw/zinc/74/62/95/517746295.db2.gz XNLBXOJXOKFSIP-DDHJSBNISA-N 1 3 361.452 2.637 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000542916173 517814651 /nfs/dbraw/zinc/81/46/51/517814651.db2.gz XLIUUWYLGHXWTN-KDURUIRLSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000521697278 517832361 /nfs/dbraw/zinc/83/23/61/517832361.db2.gz FMSJOPNEWZSVFQ-FCGDIQPGSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000521697278 517832372 /nfs/dbraw/zinc/83/23/72/517832372.db2.gz FMSJOPNEWZSVFQ-FCGDIQPGSA-N 1 3 350.551 2.623 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000557167071 517896138 /nfs/dbraw/zinc/89/61/38/517896138.db2.gz CBXAEZPJECTXAB-SUMDDJOVSA-N 1 3 364.559 2.820 20 0 FFADHO COc1ccc(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)cn1 ZINC000527793370 517916275 /nfs/dbraw/zinc/91/62/75/517916275.db2.gz JFUDKQIDOQEJJP-UHFFFAOYSA-N 1 3 368.525 2.953 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OCCN(C)C)c1 ZINC000563457486 517917256 /nfs/dbraw/zinc/91/72/56/517917256.db2.gz XJUYNPPZIKEVAP-QZTJIDSGSA-N 1 3 374.529 2.789 20 0 FFADHO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000530710658 517932293 /nfs/dbraw/zinc/93/22/93/517932293.db2.gz NDEATWKVJAMMNP-SFHVURJKSA-N 1 3 374.533 2.550 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000530722277 517941935 /nfs/dbraw/zinc/94/19/35/517941935.db2.gz JDTPCZYOBYEPMU-AEFFLSMTSA-N 1 3 374.533 2.549 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000553926560 517974109 /nfs/dbraw/zinc/97/41/09/517974109.db2.gz QPNCQNWQCWJEPZ-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)(CNC(=O)CCN1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000530804392 517984111 /nfs/dbraw/zinc/98/41/11/517984111.db2.gz OOELREFSXVEROT-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000522175957 518016751 /nfs/dbraw/zinc/01/67/51/518016751.db2.gz OQTCEDRJZQLROG-GGPKGHCWSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000522175957 518016764 /nfs/dbraw/zinc/01/67/64/518016764.db2.gz OQTCEDRJZQLROG-GGPKGHCWSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000517091830 518021285 /nfs/dbraw/zinc/02/12/85/518021285.db2.gz XHLOQGYMRXRYIV-QZTJIDSGSA-N 1 3 373.545 2.776 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522195914 518028174 /nfs/dbraw/zinc/02/81/74/518028174.db2.gz VHWIGVQYXVZAPP-FQEVSTJZSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522199077 518028865 /nfs/dbraw/zinc/02/88/65/518028865.db2.gz SPDSSNWYXLHPFF-CTNGQTDRSA-N 1 3 372.557 2.922 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522199077 518028871 /nfs/dbraw/zinc/02/88/71/518028871.db2.gz SPDSSNWYXLHPFF-CTNGQTDRSA-N 1 3 372.557 2.922 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000522343042 518083344 /nfs/dbraw/zinc/08/33/44/518083344.db2.gz GKYIDZILENWXAI-AZUAARDMSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000522343042 518083350 /nfs/dbraw/zinc/08/33/50/518083350.db2.gz GKYIDZILENWXAI-AZUAARDMSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(F)(F)CC1 ZINC000534935581 518086605 /nfs/dbraw/zinc/08/66/05/518086605.db2.gz CRNRFDYDLFRSKA-MRXNPFEDSA-N 1 3 360.493 2.622 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(F)(F)CC1 ZINC000534935581 518086613 /nfs/dbraw/zinc/08/66/13/518086613.db2.gz CRNRFDYDLFRSKA-MRXNPFEDSA-N 1 3 360.493 2.622 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000522600871 518132964 /nfs/dbraw/zinc/13/29/64/518132964.db2.gz WQMRXASIXHDIGQ-GOSISDBHSA-N 1 3 358.530 2.997 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000531119068 518143250 /nfs/dbraw/zinc/14/32/50/518143250.db2.gz YZROMIDDGUBHAQ-SFTDATJTSA-N 1 3 353.510 2.895 20 0 FFADHO Cc1nc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)oc1-c1ccccc1 ZINC000531118409 518144195 /nfs/dbraw/zinc/14/41/95/518144195.db2.gz CEOKDHDNXOBIHB-UHFFFAOYSA-N 1 3 372.513 2.534 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000535362876 518176476 /nfs/dbraw/zinc/17/64/76/518176476.db2.gz UHSVJQQWCQHPJA-HOJAQTOUSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000535362876 518176477 /nfs/dbraw/zinc/17/64/77/518176477.db2.gz UHSVJQQWCQHPJA-HOJAQTOUSA-N 1 3 356.514 2.748 20 0 FFADHO COc1cc(NC(=O)CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)cc1Cl ZINC000572476432 518210768 /nfs/dbraw/zinc/21/07/68/518210768.db2.gz XVAIOZCUSSKEEM-QWHCGFSZSA-N 1 3 369.893 2.758 20 0 FFADHO COc1cc(NC(=O)CCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)cc1Cl ZINC000572476432 518210769 /nfs/dbraw/zinc/21/07/69/518210769.db2.gz XVAIOZCUSSKEEM-QWHCGFSZSA-N 1 3 369.893 2.758 20 0 FFADHO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000581305494 518222007 /nfs/dbraw/zinc/22/20/07/518222007.db2.gz KVWRVEUPJJAOIX-RTBURBONSA-N 1 3 353.510 2.868 20 0 FFADHO c1cc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc2c1OCO2 ZINC000566843627 518228617 /nfs/dbraw/zinc/22/86/17/518228617.db2.gz GIHCTFHRWLEVRC-IPMKNSEASA-N 1 3 372.509 2.974 20 0 FFADHO C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC(Cc2ccccc2)CC1 ZINC000572527778 518234383 /nfs/dbraw/zinc/23/43/83/518234383.db2.gz LNZMCWPMIGMLOZ-CVDCTZTESA-N 1 3 369.553 2.932 20 0 FFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000578504712 518243701 /nfs/dbraw/zinc/24/37/01/518243701.db2.gz LHMYXCBNUBDPPH-HNNXBMFYSA-N 1 3 358.486 2.580 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)N2CCCC2)cc1 ZINC000584340273 518291462 /nfs/dbraw/zinc/29/14/62/518291462.db2.gz GCVNVBKZQRZJCU-IHPCNDPISA-N 1 3 358.530 2.901 20 0 FFADHO COc1cc2c(cc1CN1CCC([C@@H]3OCCC[C@H]3[NH3+])CC1)O[C@H](C)C2 ZINC000572702390 518320569 /nfs/dbraw/zinc/32/05/69/518320569.db2.gz CSDJJBJSCGMTDG-IQVOZAENSA-N 1 3 360.498 2.737 20 0 FFADHO C[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160574 518382158 /nfs/dbraw/zinc/38/21/58/518382158.db2.gz OUJIVCNRCWGEIB-KHYOSLBOSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@H](OC[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160574 518382163 /nfs/dbraw/zinc/38/21/63/518382163.db2.gz OUJIVCNRCWGEIB-KHYOSLBOSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@H](OC[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160574 518382168 /nfs/dbraw/zinc/38/21/68/518382168.db2.gz OUJIVCNRCWGEIB-KHYOSLBOSA-N 1 3 352.906 2.852 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000578850293 518402454 /nfs/dbraw/zinc/40/24/54/518402454.db2.gz JAWOWMKOBICQIM-PMACEKPBSA-N 1 3 358.530 2.841 20 0 FFADHO Cc1ccc(-c2noc([C@@H](C)N3CCN(CC[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000564458910 518461108 /nfs/dbraw/zinc/46/11/08/518461108.db2.gz WZSDWJYZZWRSSE-QZTJIDSGSA-N 1 3 369.513 2.723 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000567376129 518492676 /nfs/dbraw/zinc/49/26/76/518492676.db2.gz YIQVTXFWWAGRCP-SFHVURJKSA-N 1 3 367.484 2.992 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000567376129 518492685 /nfs/dbraw/zinc/49/26/85/518492685.db2.gz YIQVTXFWWAGRCP-SFHVURJKSA-N 1 3 367.484 2.992 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C(N)C(F)(F)F)cc2)C1 ZINC000567381875 518496774 /nfs/dbraw/zinc/49/67/74/518496774.db2.gz OPDNNHOTALUFJG-ZENOOKHLSA-N 1 3 357.420 2.670 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(N)C(F)(F)F)cc2)C1 ZINC000567381875 518496780 /nfs/dbraw/zinc/49/67/80/518496780.db2.gz OPDNNHOTALUFJG-ZENOOKHLSA-N 1 3 357.420 2.670 20 0 FFADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573270193 518585527 /nfs/dbraw/zinc/58/55/27/518585527.db2.gz UFXLZANXEIBGPP-BBRMVZONSA-N 1 3 373.950 2.631 20 0 FFADHO C[C@@H]1CN(C(=O)NCC2CCN(Cc3cccs3)CC2)C[C@@]1(C)C[NH3+] ZINC000582111336 518593336 /nfs/dbraw/zinc/59/33/36/518593336.db2.gz GPYZHJVKDXUXLF-DNVCBOLYSA-N 1 3 364.559 2.586 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)c1ccsc1 ZINC000573331233 518616952 /nfs/dbraw/zinc/61/69/52/518616952.db2.gz RGXMWIQOMMAHRH-QGZVFWFLSA-N 1 3 352.548 2.901 20 0 FFADHO OC[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000567642407 518629278 /nfs/dbraw/zinc/62/92/78/518629278.db2.gz XMPHSULBDWHNCR-RBDMOPTHSA-N 1 3 370.468 2.822 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000570566725 518670816 /nfs/dbraw/zinc/67/08/16/518670816.db2.gz HDNXVUOZMDJTBG-UYAOXDASSA-N 1 3 358.530 2.670 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)[C@H]1c1cccs1 ZINC000579452629 518688052 /nfs/dbraw/zinc/68/80/52/518688052.db2.gz FBFMEFDOEULENA-UXLLHSPISA-N 1 3 350.532 2.511 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000579462946 518693715 /nfs/dbraw/zinc/69/37/15/518693715.db2.gz OJFDGSGYGVPTEQ-WMZOPIPTSA-N 1 3 371.447 2.931 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)C1 ZINC000582348215 518709300 /nfs/dbraw/zinc/70/93/00/518709300.db2.gz SSKWWTFKKBZCDT-SFTDATJTSA-N 1 3 372.488 2.789 20 0 FFADHO [NH3+]C[C@H]1CN(Cc2ccc(OCc3ccncc3)cc2)CC12CCOCC2 ZINC000564970043 518721822 /nfs/dbraw/zinc/72/18/22/518721822.db2.gz HTGJWGOYDVHSMD-FQEVSTJZSA-N 1 3 367.493 2.848 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000582409949 518739934 /nfs/dbraw/zinc/73/99/34/518739934.db2.gz KVHYLBUSFOTWDU-RLLQIKCJSA-N 1 3 372.557 2.974 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(N(C)C(C)C)nc1 ZINC000570703528 518740179 /nfs/dbraw/zinc/74/01/79/518740179.db2.gz YHQMKFGQYOOKDX-FQEVSTJZSA-N 1 3 361.578 2.774 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(N(C)C(C)C)nc1 ZINC000570703528 518740184 /nfs/dbraw/zinc/74/01/84/518740184.db2.gz YHQMKFGQYOOKDX-FQEVSTJZSA-N 1 3 361.578 2.774 20 0 FFADHO [NH3+]C[C@@H]1CN(CCOc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 ZINC000567894662 518772479 /nfs/dbraw/zinc/77/24/79/518772479.db2.gz MXUKCABBORDCLB-CQSZACIVSA-N 1 3 374.403 2.651 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000579730220 518825240 /nfs/dbraw/zinc/82/52/40/518825240.db2.gz PWYCPLSWRZLCOG-NRSPTQNISA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000579730220 518825248 /nfs/dbraw/zinc/82/52/48/518825248.db2.gz PWYCPLSWRZLCOG-NRSPTQNISA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000573793438 518837901 /nfs/dbraw/zinc/83/79/01/518837901.db2.gz RGTNCCSFFAFCKW-MMACOIQUSA-N 1 3 352.482 2.532 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOc3cccc(C)c3)CC2)CC1 ZINC000577003536 518869473 /nfs/dbraw/zinc/86/94/73/518869473.db2.gz SYNCQMYJXWJPLM-UHFFFAOYSA-N 1 3 373.541 2.686 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC(C)(C)CC3)CC2)CC1 ZINC000570984261 518872556 /nfs/dbraw/zinc/87/25/56/518872556.db2.gz XPRMUGPJRJSITA-UHFFFAOYSA-N 1 3 367.603 2.927 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)cc1Cl ZINC000565300323 518888357 /nfs/dbraw/zinc/88/83/57/518888357.db2.gz QKBFJJKCTSSGJA-OAHLLOKOSA-N 1 3 359.297 2.950 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+]C[C@](C)(O)C(F)(F)F)CC2)cc1 ZINC000571039705 518897440 /nfs/dbraw/zinc/89/74/40/518897440.db2.gz GVODVJVBULHEIK-KRWDZBQOSA-N 1 3 360.420 2.810 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000577115305 518920708 /nfs/dbraw/zinc/92/07/08/518920708.db2.gz NVXJZKSVQRRMKU-KRWDZBQOSA-N 1 3 360.546 2.851 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000577115305 518920716 /nfs/dbraw/zinc/92/07/16/518920716.db2.gz NVXJZKSVQRRMKU-KRWDZBQOSA-N 1 3 360.546 2.851 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(Cc2ccccc2)c1 ZINC000571091438 518921254 /nfs/dbraw/zinc/92/12/54/518921254.db2.gz WBWOWYSDGKCIQX-JOCHJYFZSA-N 1 3 369.557 2.779 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(Cc2ccccc2)c1 ZINC000571091438 518921256 /nfs/dbraw/zinc/92/12/56/518921256.db2.gz WBWOWYSDGKCIQX-JOCHJYFZSA-N 1 3 369.557 2.779 20 0 FFADHO C[N@H+](C[C@H](O)CNCC(C)(C)c1cccc(Br)c1)C1CC1 ZINC000579947111 518933161 /nfs/dbraw/zinc/93/31/61/518933161.db2.gz RZYKDKKTQZFFRJ-MRXNPFEDSA-N 1 3 355.320 2.771 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC(C)(C)c1cccc(Br)c1)C1CC1 ZINC000579947111 518933167 /nfs/dbraw/zinc/93/31/67/518933167.db2.gz RZYKDKKTQZFFRJ-MRXNPFEDSA-N 1 3 355.320 2.771 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)c1ccccc1CC1CC[NH2+]CC1 ZINC000571149306 518950109 /nfs/dbraw/zinc/95/01/09/518950109.db2.gz QWYNBLQMCYIUNB-JOCHJYFZSA-N 1 3 363.505 2.846 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000589210480 518952701 /nfs/dbraw/zinc/95/27/01/518952701.db2.gz ZRSAITALDMEKNV-XLIONFOSSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000589210480 518952706 /nfs/dbraw/zinc/95/27/06/518952706.db2.gz ZRSAITALDMEKNV-XLIONFOSSA-N 1 3 360.546 2.853 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000565454936 518962257 /nfs/dbraw/zinc/96/22/57/518962257.db2.gz NVXJZKSVQRRMKU-QGZVFWFLSA-N 1 3 360.546 2.851 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000565454936 518962262 /nfs/dbraw/zinc/96/22/62/518962262.db2.gz NVXJZKSVQRRMKU-QGZVFWFLSA-N 1 3 360.546 2.851 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000571179776 518966972 /nfs/dbraw/zinc/96/69/72/518966972.db2.gz AGFQCWVHWYKMQG-AZUAARDMSA-N 1 3 355.482 2.962 20 0 FFADHO N[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)c2ccccc21 ZINC000571194296 518972346 /nfs/dbraw/zinc/97/23/46/518972346.db2.gz XFNDZRLGQRIVPL-STZQEDGTSA-N 1 3 351.494 2.664 20 0 FFADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000577274185 519000635 /nfs/dbraw/zinc/00/06/35/519000635.db2.gz MQZVMCNDULRLRC-KNQAVFIVSA-N 1 3 365.477 2.570 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000565537186 519006759 /nfs/dbraw/zinc/00/67/59/519006759.db2.gz LMCZKMOHBKZVNW-MRXNPFEDSA-N 1 3 357.420 2.738 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000574151386 519012341 /nfs/dbraw/zinc/01/23/41/519012341.db2.gz MHZPAKMBRBSKOQ-GDBMZVCRSA-N 1 3 371.319 2.510 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589641014 519052484 /nfs/dbraw/zinc/05/24/84/519052484.db2.gz BXVXXUIIRYCQEK-INIZCTEOSA-N 1 3 353.532 2.660 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589641014 519052491 /nfs/dbraw/zinc/05/24/91/519052491.db2.gz BXVXXUIIRYCQEK-INIZCTEOSA-N 1 3 353.532 2.660 20 0 FFADHO O=C(CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccnc1 ZINC000568683528 519162156 /nfs/dbraw/zinc/16/21/56/519162156.db2.gz MNVNMXXCLBELGK-WOJBJXKFSA-N 1 3 364.493 2.864 20 0 FFADHO O=C(CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccnc1 ZINC000568683528 519162159 /nfs/dbraw/zinc/16/21/59/519162159.db2.gz MNVNMXXCLBELGK-WOJBJXKFSA-N 1 3 364.493 2.864 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C[C@H]21 ZINC000580445812 519181781 /nfs/dbraw/zinc/18/17/81/519181781.db2.gz GPNCWXWLEAWZOL-GKLJAUDBSA-N 1 3 367.415 2.870 20 0 FFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCc1cnc(C2CC2)nc1 ZINC000568856478 519251058 /nfs/dbraw/zinc/25/10/58/519251058.db2.gz FXIAWXFMJSNNEJ-GHTZIAJQSA-N 1 3 350.466 2.742 20 0 FFADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000574635510 519254586 /nfs/dbraw/zinc/25/45/86/519254586.db2.gz NMPJBMUGGGUENC-CVDCTZTESA-N 1 3 369.553 2.932 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)[C@H]1CCCNC1 ZINC000577839649 519282443 /nfs/dbraw/zinc/28/24/43/519282443.db2.gz CQGIUGGXZWJROA-FJIDUMEYSA-N 1 3 369.509 2.962 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCN1Cc1ccccc1 ZINC000571951146 519361505 /nfs/dbraw/zinc/36/15/05/519361505.db2.gz HVGCDIXEZJEWCO-WLRLJWMZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCN1Cc1ccccc1 ZINC000571951146 519361513 /nfs/dbraw/zinc/36/15/13/519361513.db2.gz HVGCDIXEZJEWCO-WLRLJWMZSA-N 1 3 370.541 2.775 20 0 FFADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)COCc1ccccc1Cl ZINC000569095633 519375871 /nfs/dbraw/zinc/37/58/71/519375871.db2.gz GVOYDJCXJJLHBR-ABHNRTSZSA-N 1 3 352.906 2.824 20 0 FFADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCc2ccccc2C1 ZINC000580882442 519408232 /nfs/dbraw/zinc/40/82/32/519408232.db2.gz JGRPKCCDPDJZSQ-SLFFLAALSA-N 1 3 370.541 2.592 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000566286402 519412154 /nfs/dbraw/zinc/41/21/54/519412154.db2.gz MHYYONQQKKHWKU-IBGZPJMESA-N 1 3 360.546 2.571 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000566324478 519434871 /nfs/dbraw/zinc/43/48/71/519434871.db2.gz OFXGKFFTZKHNAM-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000566324478 519434873 /nfs/dbraw/zinc/43/48/73/519434873.db2.gz OFXGKFFTZKHNAM-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCN3C[C@H]4CC[C@@H](C3)O4)C2)s1 ZINC000578196536 519469236 /nfs/dbraw/zinc/46/92/36/519469236.db2.gz LRZKYIWDXUWKHD-QRVBRYPASA-N 1 3 363.571 2.673 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCN3C[C@H]4CC[C@@H](C3)O4)C2)s1 ZINC000578196536 519469243 /nfs/dbraw/zinc/46/92/43/519469243.db2.gz LRZKYIWDXUWKHD-QRVBRYPASA-N 1 3 363.571 2.673 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCN3C[C@H]4CC[C@@H](C3)O4)C2)s1 ZINC000578196536 519469248 /nfs/dbraw/zinc/46/92/48/519469248.db2.gz LRZKYIWDXUWKHD-QRVBRYPASA-N 1 3 363.571 2.673 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCN3C[C@H]4CC[C@@H](C3)O4)C2)s1 ZINC000578196536 519469255 /nfs/dbraw/zinc/46/92/55/519469255.db2.gz LRZKYIWDXUWKHD-QRVBRYPASA-N 1 3 363.571 2.673 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)CN1CCCC1 ZINC000578339000 519544335 /nfs/dbraw/zinc/54/43/35/519544335.db2.gz NPBFDPJMRIJICJ-AWEZNQCLSA-N 1 3 370.335 2.711 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)CN1CCCC1 ZINC000578339001 519544564 /nfs/dbraw/zinc/54/45/64/519544564.db2.gz NPBFDPJMRIJICJ-CQSZACIVSA-N 1 3 370.335 2.711 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000569456694 519559698 /nfs/dbraw/zinc/55/96/98/519559698.db2.gz UIYMAKJZHBSZAE-IRXDYDNUSA-N 1 3 364.559 2.820 20 0 FFADHO C[C@@H]1C[C@@H](CCN[C@H](Cc2ccccc2)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000575219785 519559831 /nfs/dbraw/zinc/55/98/31/519559831.db2.gz KGEAHDRLUZFQPT-STZQEDGTSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@@H](CCN[C@H](Cc2ccccc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000575219785 519559840 /nfs/dbraw/zinc/55/98/40/519559840.db2.gz KGEAHDRLUZFQPT-STZQEDGTSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@H](NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000581185017 519565242 /nfs/dbraw/zinc/56/52/42/519565242.db2.gz AHXYRDPYQGGGKP-CWRNSKLLSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCNC1 ZINC000581185017 519565246 /nfs/dbraw/zinc/56/52/46/519565246.db2.gz AHXYRDPYQGGGKP-CWRNSKLLSA-N 1 3 360.420 2.714 20 0 FFADHO [NH3+]C[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc2ccccc2c1 ZINC000572346461 519568157 /nfs/dbraw/zinc/56/81/57/519568157.db2.gz ODFVYWZTLCCTOX-FQEVSTJZSA-N 1 3 352.482 2.766 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000591563920 519951422 /nfs/dbraw/zinc/95/14/22/519951422.db2.gz ZQZWAXPLVBZEFC-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO CN1CCC[N@H+](CCCNCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000591717201 520009569 /nfs/dbraw/zinc/00/95/69/520009569.db2.gz SPVDKDCABMONAB-UHFFFAOYSA-N 1 3 367.921 2.619 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000591717201 520009580 /nfs/dbraw/zinc/00/95/80/520009580.db2.gz SPVDKDCABMONAB-UHFFFAOYSA-N 1 3 367.921 2.619 20 0 FFADHO CCOC(=O)c1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1 ZINC000600181612 520106492 /nfs/dbraw/zinc/10/64/92/520106492.db2.gz WIKMVBJDLNGAFW-UHFFFAOYSA-N 1 3 368.481 2.655 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000612861913 520193580 /nfs/dbraw/zinc/19/35/80/520193580.db2.gz CMXVOYPEWHJHEQ-YJBOKZPZSA-N 1 3 350.532 2.572 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978652 520254224 /nfs/dbraw/zinc/25/42/24/520254224.db2.gz ZNZORFLSARJGRH-PMACEKPBSA-N 1 3 370.541 2.682 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C[C@@H]1C ZINC000595074107 520281117 /nfs/dbraw/zinc/28/11/17/520281117.db2.gz VMWHBKPCDXRBKX-VRXWPRPYSA-N 1 3 374.525 2.711 20 0 FFADHO CC1CCN(CCC[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600715136 520415794 /nfs/dbraw/zinc/41/57/94/520415794.db2.gz RVWFHVKDZXKZTQ-UHFFFAOYSA-N 1 3 368.562 2.961 20 0 FFADHO CC1CC[NH+](CCCNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600715136 520415799 /nfs/dbraw/zinc/41/57/99/520415799.db2.gz RVWFHVKDZXKZTQ-UHFFFAOYSA-N 1 3 368.562 2.961 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)c2ccccc2)CC1 ZINC000604178932 520472023 /nfs/dbraw/zinc/47/20/23/520472023.db2.gz LSKMSZJBDLLCBU-PZJWPPBQSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000604193668 520481279 /nfs/dbraw/zinc/48/12/79/520481279.db2.gz IDEZJEWYLUXCMU-PXNSSMCTSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000604193668 520481289 /nfs/dbraw/zinc/48/12/89/520481289.db2.gz IDEZJEWYLUXCMU-PXNSSMCTSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc2ccccc2c1 ZINC000617503251 520539689 /nfs/dbraw/zinc/53/96/89/520539689.db2.gz AZSMAZHWXCVXPZ-KRWDZBQOSA-N 1 3 357.498 2.607 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc2ccccc2c1 ZINC000617503251 520539693 /nfs/dbraw/zinc/53/96/93/520539693.db2.gz AZSMAZHWXCVXPZ-KRWDZBQOSA-N 1 3 357.498 2.607 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000617505980 520540315 /nfs/dbraw/zinc/54/03/15/520540315.db2.gz XCDIIMNOBDJLPG-KBPBESRZSA-N 1 3 373.900 2.635 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000617505980 520540321 /nfs/dbraw/zinc/54/03/21/520540321.db2.gz XCDIIMNOBDJLPG-KBPBESRZSA-N 1 3 373.900 2.635 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000617506132 520543389 /nfs/dbraw/zinc/54/33/89/520543389.db2.gz ANWBWHWZWLBZJH-WMLDXEAASA-N 1 3 351.922 2.758 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000617506132 520543401 /nfs/dbraw/zinc/54/34/01/520543401.db2.gz ANWBWHWZWLBZJH-WMLDXEAASA-N 1 3 351.922 2.758 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000617508194 520545194 /nfs/dbraw/zinc/54/51/94/520545194.db2.gz WXSQVBZGFOCCAR-INIZCTEOSA-N 1 3 374.554 2.741 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000617508194 520545205 /nfs/dbraw/zinc/54/52/05/520545205.db2.gz WXSQVBZGFOCCAR-INIZCTEOSA-N 1 3 374.554 2.741 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000606650267 521124854 /nfs/dbraw/zinc/12/48/54/521124854.db2.gz GPOPVUMIVOWZRO-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000606650267 521124861 /nfs/dbraw/zinc/12/48/61/521124861.db2.gz GPOPVUMIVOWZRO-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599302163 521137451 /nfs/dbraw/zinc/13/74/51/521137451.db2.gz ABIBUOUKGMXFFN-XPQZIERPSA-N 1 3 368.562 2.913 20 0 FFADHO CCN(CC)C[C@@H]1CC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599302163 521137462 /nfs/dbraw/zinc/13/74/62/521137462.db2.gz ABIBUOUKGMXFFN-XPQZIERPSA-N 1 3 368.562 2.913 20 0 FFADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599302163 521137469 /nfs/dbraw/zinc/13/74/69/521137469.db2.gz ABIBUOUKGMXFFN-XPQZIERPSA-N 1 3 368.562 2.913 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599308298 521140607 /nfs/dbraw/zinc/14/06/07/521140607.db2.gz UJIQHSMCNSUXGN-MPQSDHOMSA-N 1 3 368.562 2.913 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599308298 521140608 /nfs/dbraw/zinc/14/06/08/521140608.db2.gz UJIQHSMCNSUXGN-MPQSDHOMSA-N 1 3 368.562 2.913 20 0 FFADHO CCCN(C)C[C@H]1CC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599308298 521140614 /nfs/dbraw/zinc/14/06/14/521140614.db2.gz UJIQHSMCNSUXGN-MPQSDHOMSA-N 1 3 368.562 2.913 20 0 FFADHO CCCN(C)C[C@H]1CC[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599308298 521140622 /nfs/dbraw/zinc/14/06/22/521140622.db2.gz UJIQHSMCNSUXGN-MPQSDHOMSA-N 1 3 368.562 2.913 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cnccc2C(F)(F)F)CC[NH2+]CC1 ZINC000596654135 521193185 /nfs/dbraw/zinc/19/31/85/521193185.db2.gz GMAKWOZJEGCVPD-LBPRGKRZSA-N 1 3 359.392 2.511 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000599580841 521310649 /nfs/dbraw/zinc/31/06/49/521310649.db2.gz GXAFPTNMAMLOKU-RBUKOAKNSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000599580841 521310650 /nfs/dbraw/zinc/31/06/50/521310650.db2.gz GXAFPTNMAMLOKU-RBUKOAKNSA-N 1 3 367.578 2.702 20 0 FFADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000615300623 521360362 /nfs/dbraw/zinc/36/03/62/521360362.db2.gz FSQMSOJUYHXZJE-NJAFHUGGSA-N 1 3 365.468 2.695 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)C1 ZINC000615357198 521383710 /nfs/dbraw/zinc/38/37/10/521383710.db2.gz WUFLMCSPJNSKJY-UNMCSNQZSA-N 1 3 355.526 2.810 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594316851 521553786 /nfs/dbraw/zinc/55/37/86/521553786.db2.gz BWOPFURAWOKBBO-QRVBRYPASA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](CC(=O)NCCc1ccccc1)NCc1cccc2c1CC[NH2+]C2 ZINC000635012975 521867721 /nfs/dbraw/zinc/86/77/21/521867721.db2.gz XYABKAFGPHSQEA-KRWDZBQOSA-N 1 3 351.494 2.559 20 0 FFADHO CCN(CCn1cnc2ccccc2c1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062662 521902250 /nfs/dbraw/zinc/90/22/50/521902250.db2.gz ANZNVDLCOXZZMT-UHFFFAOYSA-N 1 3 364.493 2.980 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc2cc[nH]c2c1 ZINC000623471636 522050114 /nfs/dbraw/zinc/05/01/14/522050114.db2.gz IRIFWDHLAMHCHF-NRFANRHFSA-N 1 3 364.493 2.547 20 0 FFADHO Fc1cc(Cl)ccc1N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000629548216 522304613 /nfs/dbraw/zinc/30/46/13/522304613.db2.gz WLAPMGXFTDDXNJ-CIRFHOKZSA-N 1 3 367.896 2.805 20 0 FFADHO CN(CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)CC(F)F ZINC000623831711 522313434 /nfs/dbraw/zinc/31/34/34/522313434.db2.gz TWXLORJMPYCNFC-UHFFFAOYSA-N 1 3 354.489 2.504 20 0 FFADHO CN(CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)CC(F)F ZINC000623831711 522313439 /nfs/dbraw/zinc/31/34/39/522313439.db2.gz TWXLORJMPYCNFC-UHFFFAOYSA-N 1 3 354.489 2.504 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000635528205 522338804 /nfs/dbraw/zinc/33/88/04/522338804.db2.gz PDMHJBJSIANACK-JKSUJKDBSA-N 1 3 364.559 2.962 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000623878225 522341110 /nfs/dbraw/zinc/34/11/10/522341110.db2.gz BWPPWEZHNPEATL-XRXFAXGQSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000623878225 522341120 /nfs/dbraw/zinc/34/11/20/522341120.db2.gz BWPPWEZHNPEATL-XRXFAXGQSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000620662489 522342324 /nfs/dbraw/zinc/34/23/24/522342324.db2.gz SHNRWAMEDHBCPA-SFTDATJTSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000620662489 522342333 /nfs/dbraw/zinc/34/23/33/522342333.db2.gz SHNRWAMEDHBCPA-SFTDATJTSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(-c2ccccc2)n(C)n1 ZINC000623891427 522350794 /nfs/dbraw/zinc/35/07/94/522350794.db2.gz MGIHKDCNEMALSI-HKUYNNGSSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(-c2ccccc2)n(C)n1 ZINC000623891427 522350804 /nfs/dbraw/zinc/35/08/04/522350804.db2.gz MGIHKDCNEMALSI-HKUYNNGSSA-N 1 3 356.514 2.975 20 0 FFADHO NC1(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000629653921 522376221 /nfs/dbraw/zinc/37/62/21/522376221.db2.gz KBKDRICJFXSKJT-UHFFFAOYSA-N 1 3 354.376 2.693 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000635639599 522416019 /nfs/dbraw/zinc/41/60/19/522416019.db2.gz BTYIPZZPAUCMBI-RBBKRZOGSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000635639599 522416023 /nfs/dbraw/zinc/41/60/23/522416023.db2.gz BTYIPZZPAUCMBI-RBBKRZOGSA-N 1 3 355.526 2.843 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000620768825 522423061 /nfs/dbraw/zinc/42/30/61/522423061.db2.gz ABSRWFLQYRKCJJ-ACRUOGEOSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000620768825 522423069 /nfs/dbraw/zinc/42/30/69/522423069.db2.gz ABSRWFLQYRKCJJ-ACRUOGEOSA-N 1 3 370.541 2.825 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000624119338 522489274 /nfs/dbraw/zinc/48/92/74/522489274.db2.gz ACDSVLQBTQGZSQ-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119338 522489278 /nfs/dbraw/zinc/48/92/78/522489278.db2.gz ACDSVLQBTQGZSQ-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119338 522489284 /nfs/dbraw/zinc/48/92/84/522489284.db2.gz ACDSVLQBTQGZSQ-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635736367 522493129 /nfs/dbraw/zinc/49/31/29/522493129.db2.gz LUZFFCGLTDEULK-RTBURBONSA-N 1 3 359.514 2.547 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635736367 522493139 /nfs/dbraw/zinc/49/31/39/522493139.db2.gz LUZFFCGLTDEULK-RTBURBONSA-N 1 3 359.514 2.547 20 0 FFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000620930689 522528576 /nfs/dbraw/zinc/52/85/76/522528576.db2.gz VBXZETYUSRUBAG-NRFANRHFSA-N 1 3 370.541 2.532 20 0 FFADHO CN(CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000629980667 522565815 /nfs/dbraw/zinc/56/58/15/522565815.db2.gz RVULNCPEPUSXPP-SESVDKBCSA-N 1 3 355.526 2.888 20 0 FFADHO CN(CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000629980667 522565824 /nfs/dbraw/zinc/56/58/24/522565824.db2.gz RVULNCPEPUSXPP-SESVDKBCSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626993752 522577210 /nfs/dbraw/zinc/57/72/10/522577210.db2.gz MCRXEKYDFQWVIK-YKWDRNOUSA-N 1 3 370.541 2.538 20 0 FFADHO CN(CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCC1 ZINC000630016749 522582430 /nfs/dbraw/zinc/58/24/30/522582430.db2.gz JZZOVHRCATYSFD-LJQANCHMSA-N 1 3 355.526 2.889 20 0 FFADHO CN(CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCC1 ZINC000630016749 522582433 /nfs/dbraw/zinc/58/24/33/522582433.db2.gz JZZOVHRCATYSFD-LJQANCHMSA-N 1 3 355.526 2.889 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000627038147 522610359 /nfs/dbraw/zinc/61/03/59/522610359.db2.gz ZFNCMJXRZRYCFR-RBUKOAKNSA-N 1 3 374.529 2.660 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000633965712 523097981 /nfs/dbraw/zinc/09/79/81/523097981.db2.gz QKZOFHPYYRCEKE-UHFFFAOYSA-N 1 3 355.526 2.912 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636749616 523183333 /nfs/dbraw/zinc/18/33/33/523183333.db2.gz DCLOQZAHJWZQPF-IYBDPMFKSA-N 1 3 362.522 2.534 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636749616 523183340 /nfs/dbraw/zinc/18/33/40/523183340.db2.gz DCLOQZAHJWZQPF-IYBDPMFKSA-N 1 3 362.522 2.534 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCn2ccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000634687202 523579260 /nfs/dbraw/zinc/57/92/60/523579260.db2.gz BJZBOBLXTMGGCX-LSDHHAIUSA-N 1 3 362.440 2.629 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCn2ccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000634687202 523579263 /nfs/dbraw/zinc/57/92/63/523579263.db2.gz BJZBOBLXTMGGCX-LSDHHAIUSA-N 1 3 362.440 2.629 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]4CC[C@@H](C3)S4)CC2)CC1 ZINC000628649913 523652111 /nfs/dbraw/zinc/65/21/11/523652111.db2.gz QEFZQXULDCMDPQ-MOPGFXCFSA-N 1 3 365.587 2.679 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CCN1C ZINC000625801750 523698866 /nfs/dbraw/zinc/69/88/66/523698866.db2.gz KPQPLMKDNUTPJQ-RZXSNQJFSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CCN1C ZINC000625801750 523698869 /nfs/dbraw/zinc/69/88/69/523698869.db2.gz KPQPLMKDNUTPJQ-RZXSNQJFSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@H]1CC[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[NH2+]1 ZINC000625869287 523728278 /nfs/dbraw/zinc/72/82/78/523728278.db2.gz FTZCFFHPYPOXTP-WMZOPIPTSA-N 1 3 360.502 2.813 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000637601701 523728399 /nfs/dbraw/zinc/72/83/99/523728399.db2.gz CFEVNSSGRZVRLT-YXYSEUPNSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000637601701 523728406 /nfs/dbraw/zinc/72/84/06/523728406.db2.gz CFEVNSSGRZVRLT-YXYSEUPNSA-N 1 3 372.557 2.879 20 0 FFADHO CN1CCC(n2ccc(=NC(=O)NCC[NH2+]C3CCCCCC3)[nH]2)CC1 ZINC000516915110 562064523 /nfs/dbraw/zinc/06/45/23/562064523.db2.gz RLMLXRPBHYLWCH-UHFFFAOYSA-N 1 3 362.522 2.584 20 0 FFADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000820557255 599684015 /nfs/dbraw/zinc/68/40/15/599684015.db2.gz XQVJEEVZHACTMY-MRXNPFEDSA-N 1 3 370.501 2.505 20 0 FFADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000820557255 599684016 /nfs/dbraw/zinc/68/40/16/599684016.db2.gz XQVJEEVZHACTMY-MRXNPFEDSA-N 1 3 370.501 2.505 20 0 FFADHO C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821584923 606217320 /nfs/dbraw/zinc/21/73/20/606217320.db2.gz YDIGKEVLKBOJEU-UHFFFAOYSA-N 1 3 372.498 2.549 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(-c2ccccc2)n1 ZINC000084734592 728425415 /nfs/dbraw/zinc/42/54/15/728425415.db2.gz BRLJMJARIWAHCV-QGZVFWFLSA-N 1 3 357.527 2.741 20 0 FFADHO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183415541 729303589 /nfs/dbraw/zinc/30/35/89/729303589.db2.gz YCKREZUDWVGIFM-VQIMIIECSA-N 1 3 350.503 2.729 20 0 FFADHO C[NH+]1CCN(c2cc(CN[C@@H]3CCc4c3nccc4Cl)ccn2)CC1 ZINC000924687179 738439099 /nfs/dbraw/zinc/43/90/99/738439099.db2.gz ACPCBZRDVAVSHR-QGZVFWFLSA-N 1 3 357.889 2.659 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418581971 729856419 /nfs/dbraw/zinc/85/64/19/729856419.db2.gz MPNLLQJBFAHUKV-IRXDYDNUSA-N 1 3 352.910 2.683 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638233220 730016535 /nfs/dbraw/zinc/01/65/35/730016535.db2.gz XYAFKXDJQYRHBX-INIZCTEOSA-N 1 3 355.404 2.643 20 0 FFADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(C[C@H]1CCCO1)C(F)(F)F ZINC000638669753 730038445 /nfs/dbraw/zinc/03/84/45/730038445.db2.gz AXPNLWYVLODFOE-ZIAGYGMSSA-N 1 3 358.360 2.855 20 0 FFADHO Cn1cc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)c(Cl)n1 ZINC000856776087 730356883 /nfs/dbraw/zinc/35/68/83/730356883.db2.gz OORMMNMKTHMIEA-UHFFFAOYSA-N 1 3 362.905 2.880 20 0 FFADHO C[C@@H](O)C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000644519979 730478420 /nfs/dbraw/zinc/47/84/20/730478420.db2.gz KEDDWAVWEIUJHO-OAHLLOKOSA-N 1 3 359.436 2.578 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000645419959 730551621 /nfs/dbraw/zinc/55/16/21/730551621.db2.gz CLALWYMQXRIOFQ-SFHVURJKSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862366944 730692648 /nfs/dbraw/zinc/69/26/48/730692648.db2.gz PEBYVAGVNNIVPT-LSDHHAIUSA-N 1 3 361.477 2.951 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862366944 730692649 /nfs/dbraw/zinc/69/26/49/730692649.db2.gz PEBYVAGVNNIVPT-LSDHHAIUSA-N 1 3 361.477 2.951 20 0 FFADHO COCCN(CCN1CC[NH2+]CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879591 730768517 /nfs/dbraw/zinc/76/85/17/730768517.db2.gz VSVURJDUZIFOMJ-OAHLLOKOSA-N 1 3 359.436 2.620 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC[C@@H]1[NH3+] ZINC000647937058 730775643 /nfs/dbraw/zinc/77/56/43/730775643.db2.gz QFIBFSCYLCNUHP-OCCSQVGLSA-N 1 3 369.893 2.745 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000647938946 730776171 /nfs/dbraw/zinc/77/61/71/730776171.db2.gz XLSLJBCWRACRDX-GXTWGEPZSA-N 1 3 354.292 2.837 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865414497 730952228 /nfs/dbraw/zinc/95/22/28/730952228.db2.gz SSYVUCJMKDZGOB-CYBMUJFWSA-N 1 3 363.399 2.840 20 0 FFADHO C[C@H]1C[NH+](CCCCNCc2cccnc2Br)C[C@H](C)O1 ZINC000865472009 730959593 /nfs/dbraw/zinc/95/95/93/730959593.db2.gz URDVOKUACYVRET-KBPBESRZSA-N 1 3 356.308 2.823 20 0 FFADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(c3ccccc3OC(F)F)C1)[NH2+]2 ZINC000925506640 738511207 /nfs/dbraw/zinc/51/12/07/738511207.db2.gz VOOXWAYNWCYVNI-YIDVYQOGSA-N 1 3 351.441 2.985 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000921769864 738039379 /nfs/dbraw/zinc/03/93/79/738039379.db2.gz PCLXXSZRZSLGMH-UHFFFAOYSA-N 1 3 370.266 2.616 20 0 FFADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1OCCc2sccc21 ZINC000655770740 731507249 /nfs/dbraw/zinc/50/72/49/731507249.db2.gz OKKFTOOZNBVEOF-ZSZQSSIHSA-N 1 3 350.528 2.983 20 0 FFADHO CC[N@H+](C)C[C@H](O)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000656708594 731627321 /nfs/dbraw/zinc/62/73/21/731627321.db2.gz HHZQDBQKWMNQCN-MRXNPFEDSA-N 1 3 355.320 2.674 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000656708594 731627322 /nfs/dbraw/zinc/62/73/22/731627322.db2.gz HHZQDBQKWMNQCN-MRXNPFEDSA-N 1 3 355.320 2.674 20 0 FFADHO COC[C@@H](NCCCCCN1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000925847805 738536119 /nfs/dbraw/zinc/53/61/19/738536119.db2.gz VZKMHYPRPFGTOY-QGZVFWFLSA-N 1 3 357.901 2.832 20 0 FFADHO CCOc1cc(CN(C)C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1OC(F)F ZINC000662251116 732288644 /nfs/dbraw/zinc/28/86/44/732288644.db2.gz ZEBAEFTZZSCDTE-AWEZNQCLSA-N 1 3 356.413 2.640 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)CC1 ZINC000877747156 732422937 /nfs/dbraw/zinc/42/29/37/732422937.db2.gz BDJMNLKYFGRGJB-UHFFFAOYSA-N 1 3 353.457 2.542 20 0 FFADHO CCN(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCN(C)C1 ZINC000663870518 732506910 /nfs/dbraw/zinc/50/69/10/732506910.db2.gz GPIGCQLWOXQJFB-KRWDZBQOSA-N 1 3 364.559 2.696 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1cc(Br)no1 ZINC000878313639 732513280 /nfs/dbraw/zinc/51/32/80/732513280.db2.gz CIVHVPCYFZLIOL-AWEZNQCLSA-N 1 3 368.275 2.664 20 0 FFADHO Cc1cc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nc(-c2cccs2)n1 ZINC000665700916 732744590 /nfs/dbraw/zinc/74/45/90/732744590.db2.gz QNRTXLGKHSTILY-HNNXBMFYSA-N 1 3 357.527 2.516 20 0 FFADHO C[C@H](c1ccco1)N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665759284 732752510 /nfs/dbraw/zinc/75/25/10/732752510.db2.gz BTVQOJLFDANWAV-JKSUJKDBSA-N 1 3 350.507 2.787 20 0 FFADHO C[C@H](c1ccco1)N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665759284 732752512 /nfs/dbraw/zinc/75/25/12/732752512.db2.gz BTVQOJLFDANWAV-JKSUJKDBSA-N 1 3 350.507 2.787 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2ccc(Cl)cc2C1 ZINC000665763568 732752736 /nfs/dbraw/zinc/75/27/36/732752736.db2.gz FXPPWWSMRTVSGJ-AWEZNQCLSA-N 1 3 352.910 2.637 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2ccc(Cl)cc2C1 ZINC000665763568 732752742 /nfs/dbraw/zinc/75/27/42/732752742.db2.gz FXPPWWSMRTVSGJ-AWEZNQCLSA-N 1 3 352.910 2.637 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000665763949 732753826 /nfs/dbraw/zinc/75/38/26/732753826.db2.gz PSNIZROYKPKESK-GJZGRUSLSA-N 1 3 366.472 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000665763949 732753828 /nfs/dbraw/zinc/75/38/28/732753828.db2.gz PSNIZROYKPKESK-GJZGRUSLSA-N 1 3 366.472 2.632 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000672884722 733563953 /nfs/dbraw/zinc/56/39/53/733563953.db2.gz ZKEOJITUZRYCCP-ZMSDIMECSA-N 1 3 350.507 2.738 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(-c2ccncc2)s1 ZINC000685454773 734313449 /nfs/dbraw/zinc/31/34/49/734313449.db2.gz MGFHUQQFFVIZFI-UHFFFAOYSA-N 1 3 359.543 2.663 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000892432846 734558544 /nfs/dbraw/zinc/55/85/44/734558544.db2.gz BUZYSQBBIVCALL-KBRIMQKVSA-N 1 3 352.910 2.759 20 0 FFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000892580329 734575813 /nfs/dbraw/zinc/57/58/13/734575813.db2.gz JXCPBAKBXMCUFA-ABSDTBQOSA-N 1 3 364.555 2.974 20 0 FFADHO C[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000731942227 734707891 /nfs/dbraw/zinc/70/78/91/734707891.db2.gz KSFNRTAISHVKAS-MRXNPFEDSA-N 1 3 350.576 2.559 20 0 FFADHO C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496566 736102172 /nfs/dbraw/zinc/10/21/72/736102172.db2.gz SNCNYIKBJBDSMF-JHJVBQTASA-N 1 3 354.292 2.693 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903766587 736164568 /nfs/dbraw/zinc/16/45/68/736164568.db2.gz ARQIJFCSLZMLRP-OWYFMNJBSA-N 1 3 350.425 2.847 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2 ZINC000903843996 736174162 /nfs/dbraw/zinc/17/41/62/736174162.db2.gz ZCIRXMKIVWAHCY-MZGVZZPPSA-N 1 3 353.388 2.622 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN(C)Cc2ccc(Br)cc2)cnn1C ZINC000903878804 736182207 /nfs/dbraw/zinc/18/22/07/736182207.db2.gz ZOOYYLWDJJEHAU-OAHLLOKOSA-N 1 3 365.319 2.740 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@H]1C(F)(F)F ZINC000903937690 736190936 /nfs/dbraw/zinc/19/09/36/736190936.db2.gz PTFUJBWUDRWNGS-HZPDHXFCSA-N 1 3 356.388 2.506 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967507 736196374 /nfs/dbraw/zinc/19/63/74/736196374.db2.gz KBANRACZLJLJFF-AGIUHOORSA-N 1 3 354.292 2.611 20 0 FFADHO COc1ccc(C[C@@H](C)CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903974015 736197706 /nfs/dbraw/zinc/19/77/06/736197706.db2.gz SGVBSBKSGLQMEV-NVXWUHKLSA-N 1 3 350.478 2.761 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(C(F)F)nc3)C2)[C@@H]1C(C)C ZINC000922391852 738136492 /nfs/dbraw/zinc/13/64/92/738136492.db2.gz BDDIOWILLIODJG-VXIBKDFQSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(C(F)F)nc3)C2)[C@@H]1C(C)C ZINC000922391852 738136495 /nfs/dbraw/zinc/13/64/95/738136495.db2.gz BDDIOWILLIODJG-VXIBKDFQSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)ccc3OC)C2)[C@@H]1C(C)C ZINC000922395699 738137487 /nfs/dbraw/zinc/13/74/87/738137487.db2.gz YQJHUKPKWBXWQM-JYBIWHBTSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)ccc3OC)C2)[C@@H]1C(C)C ZINC000922395699 738137488 /nfs/dbraw/zinc/13/74/88/738137488.db2.gz YQJHUKPKWBXWQM-JYBIWHBTSA-N 1 3 350.478 2.794 20 0 FFADHO [NH3+]C[C@@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000923374757 738277043 /nfs/dbraw/zinc/27/70/43/738277043.db2.gz VRJIJAJRGHNUJK-GDBMZVCRSA-N 1 3 360.420 2.942 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccccc1OCC(F)(F)F)CC2 ZINC000923448686 738284824 /nfs/dbraw/zinc/28/48/24/738284824.db2.gz GDNYDOHCUGEBIR-OAHLLOKOSA-N 1 3 358.404 2.958 20 0 FFADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499219 738291830 /nfs/dbraw/zinc/29/18/30/738291830.db2.gz LWWWQOAIVRJXEF-MCIONIFRSA-N 1 3 355.885 2.743 20 0 FFADHO Cc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000931217812 739228669 /nfs/dbraw/zinc/22/86/69/739228669.db2.gz ZNLYDYYCJKWACU-UHFFFAOYSA-N 1 3 363.933 2.866 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCC(F)(F)F)CC2(C)C)CC[N@@H+]1C ZINC000940757335 740183995 /nfs/dbraw/zinc/18/39/95/740183995.db2.gz ZWCOEIXGMPNHDQ-RRFJBIMHSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCC(F)(F)F)CC2(C)C)CC[N@H+]1C ZINC000940757335 740184000 /nfs/dbraw/zinc/18/40/00/740184000.db2.gz ZWCOEIXGMPNHDQ-RRFJBIMHSA-N 1 3 363.468 2.886 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000796988083 740202240 /nfs/dbraw/zinc/20/22/40/740202240.db2.gz GTPOWMKMMFJUJF-QZWWFDLISA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000796988083 740202241 /nfs/dbraw/zinc/20/22/41/740202241.db2.gz GTPOWMKMMFJUJF-QZWWFDLISA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000796988083 740202244 /nfs/dbraw/zinc/20/22/44/740202244.db2.gz GTPOWMKMMFJUJF-QZWWFDLISA-N 1 3 353.304 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC000968737850 740722760 /nfs/dbraw/zinc/72/27/60/740722760.db2.gz HSLYWKFLAIGFME-RVKKMQEKSA-N 1 3 367.896 2.900 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC000968737850 740722763 /nfs/dbraw/zinc/72/27/63/740722763.db2.gz HSLYWKFLAIGFME-RVKKMQEKSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000810670745 741439251 /nfs/dbraw/zinc/43/92/51/741439251.db2.gz KISKZNZOUCXKIJ-RZQQEMMASA-N 1 3 353.526 2.968 20 0 FFADHO C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000810670745 741439253 /nfs/dbraw/zinc/43/92/53/741439253.db2.gz KISKZNZOUCXKIJ-RZQQEMMASA-N 1 3 353.526 2.968 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3ccncc3Cl)CC2)CC[N@@H+]1C ZINC000996603429 741995457 /nfs/dbraw/zinc/99/54/57/741995457.db2.gz MFEXCGQDXWOORL-FUHWJXTLSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3ccncc3Cl)CC2)CC[N@H+]1C ZINC000996603429 741995460 /nfs/dbraw/zinc/99/54/60/741995460.db2.gz MFEXCGQDXWOORL-FUHWJXTLSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC000999189673 742054923 /nfs/dbraw/zinc/05/49/23/742054923.db2.gz MSHMESFTFMCUDJ-KBRIMQKVSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC000999189673 742054926 /nfs/dbraw/zinc/05/49/26/742054926.db2.gz MSHMESFTFMCUDJ-KBRIMQKVSA-N 1 3 367.896 2.900 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccc(Cl)nc3)C2)CC[N@@H+]1C ZINC000999211195 742056187 /nfs/dbraw/zinc/05/61/87/742056187.db2.gz XNUZVDNTVFGRFB-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccc(Cl)nc3)C2)CC[N@H+]1C ZINC000999211195 742056191 /nfs/dbraw/zinc/05/61/91/742056191.db2.gz XNUZVDNTVFGRFB-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000822893875 742798726 /nfs/dbraw/zinc/79/87/26/742798726.db2.gz LIARFUXVVAPYSC-JTQLQIEISA-N 1 3 367.441 2.555 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ncc(C(F)(F)F)s1 ZINC000822893875 742798728 /nfs/dbraw/zinc/79/87/28/742798728.db2.gz LIARFUXVVAPYSC-JTQLQIEISA-N 1 3 367.441 2.555 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001031686457 742844004 /nfs/dbraw/zinc/84/40/04/742844004.db2.gz PJEFJEPJPMEGOY-RBUKOAKNSA-N 1 3 363.933 2.661 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001031686457 742844014 /nfs/dbraw/zinc/84/40/14/742844014.db2.gz PJEFJEPJPMEGOY-RBUKOAKNSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@H](C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)CN1CCCCC1 ZINC000823677490 742959941 /nfs/dbraw/zinc/95/99/41/742959941.db2.gz VGHNRXJMANHDKJ-MBOZVWFJSA-N 1 3 351.535 2.955 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC001038269536 742964172 /nfs/dbraw/zinc/96/41/72/742964172.db2.gz PITNWPXVPQGKCE-IXDOHACOSA-N 1 3 357.489 2.733 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC001038269536 742964180 /nfs/dbraw/zinc/96/41/80/742964180.db2.gz PITNWPXVPQGKCE-IXDOHACOSA-N 1 3 357.489 2.733 20 0 FFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001049485400 743465567 /nfs/dbraw/zinc/46/55/67/743465567.db2.gz MZSPXOQDSUMXDL-NXWXRZEISA-N 1 3 361.555 2.962 20 0 FFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001049485400 743465568 /nfs/dbraw/zinc/46/55/68/743465568.db2.gz MZSPXOQDSUMXDL-NXWXRZEISA-N 1 3 361.555 2.962 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2CC[NH+](CC(C)C)CC2)cc(Cl)n1 ZINC000831799213 745586127 /nfs/dbraw/zinc/58/61/27/745586127.db2.gz SROWVYYVPZDUOP-INIZCTEOSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852838772 749963848 /nfs/dbraw/zinc/96/38/48/749963848.db2.gz OFLIZIGKNHXTGG-UKRRQHHQSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852838772 749963851 /nfs/dbraw/zinc/96/38/51/749963851.db2.gz OFLIZIGKNHXTGG-UKRRQHHQSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC2CC[NH+](CC3CC3)CC2)cc(Cl)n1 ZINC000852924511 749973249 /nfs/dbraw/zinc/97/32/49/749973249.db2.gz PYXLYQVXMMQHTB-QGZVFWFLSA-N 1 3 364.921 2.672 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](CC)OC)C1 ZINC001104803571 970860338 /nfs/dbraw/zinc/86/03/38/970860338.db2.gz VGJMALZXGUIECL-VAMGGRTRSA-N 1 3 369.594 2.998 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C)C[C@@H]3C2)cc1F ZINC001087909002 971072263 /nfs/dbraw/zinc/07/22/63/971072263.db2.gz VDDXUOYCIZNTSJ-WSTZPKSXSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C)C[C@@H]3C2)cc1F ZINC001087909002 971072273 /nfs/dbraw/zinc/07/22/73/971072273.db2.gz VDDXUOYCIZNTSJ-WSTZPKSXSA-N 1 3 359.489 2.509 20 0 FFADHO CCc1nc([C@@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n[nH]1 ZINC000659994195 971075689 /nfs/dbraw/zinc/07/56/89/971075689.db2.gz SYXZGPNFKAWAEO-MRXNPFEDSA-N 1 3 362.566 2.556 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896735171 971683886 /nfs/dbraw/zinc/68/38/86/971683886.db2.gz GPUJWKNHWKBMIV-XLIONFOSSA-N 1 3 361.530 2.925 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001087999292 971776331 /nfs/dbraw/zinc/77/63/31/971776331.db2.gz FECCCURDZCJBMY-CEXWTWQISA-N 1 3 361.555 2.903 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001087999292 971776338 /nfs/dbraw/zinc/77/63/38/971776338.db2.gz FECCCURDZCJBMY-CEXWTWQISA-N 1 3 361.555 2.903 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccc(F)cc3)C[C@H]2C1)[NH+](C)C ZINC001088002575 971791388 /nfs/dbraw/zinc/79/13/88/971791388.db2.gz LAUIBLPLGYCKLY-HBFSDRIKSA-N 1 3 361.505 2.692 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C2 ZINC000652127775 972248716 /nfs/dbraw/zinc/24/87/16/972248716.db2.gz BRXPBGORUHHYRA-ZVDOUQERSA-N 1 3 356.514 2.594 20 0 FFADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCc2ccccc2C1 ZINC000652131007 972269478 /nfs/dbraw/zinc/26/94/78/972269478.db2.gz JHWZYFGSFHRCDD-UGKGYDQZSA-N 1 3 370.541 2.594 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000654829943 958998873 /nfs/dbraw/zinc/99/88/73/958998873.db2.gz FRAJCYYWOIBRAL-RBBKRZOGSA-N 1 3 369.553 2.930 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(CC(C)C)nc3)CC2)CC1 ZINC000655041697 959328731 /nfs/dbraw/zinc/32/87/31/959328731.db2.gz VHZBXHSCOGXOLU-UHFFFAOYSA-N 1 3 373.545 2.810 20 0 FFADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@@H](CC)CO1 ZINC000655163832 959556310 /nfs/dbraw/zinc/55/63/10/959556310.db2.gz ZBWOZUWBCZWCLN-AZUAARDMSA-N 1 3 365.562 2.599 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)CO[C@H]1CCCc3ccccc31)C2 ZINC000660654302 972443376 /nfs/dbraw/zinc/44/33/76/972443376.db2.gz GMTVECUAQXJQRO-ILWGZMRPSA-N 1 3 358.526 2.859 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)CO[C@H]1CCCc3ccccc31)C2 ZINC000660654302 972443380 /nfs/dbraw/zinc/44/33/80/972443380.db2.gz GMTVECUAQXJQRO-ILWGZMRPSA-N 1 3 358.526 2.859 20 0 FFADHO COc1cc(CN2CCN(CCCC3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000649414027 959969399 /nfs/dbraw/zinc/96/93/99/959969399.db2.gz BZYOCMCQJLRNKL-UHFFFAOYSA-N 1 3 361.530 2.601 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(C(C)(C)C)[nH]3)CC2)C1=O ZINC001275927062 1013197891 /nfs/dbraw/zinc/19/78/91/1013197891.db2.gz KPWVNDAUHDBIQV-UHFFFAOYSA-N 1 3 360.546 2.688 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802891 961361177 /nfs/dbraw/zinc/36/11/77/961361177.db2.gz QGFRFDAIRZANJS-KOVVAJLHSA-N 1 3 359.558 2.984 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000649284939 1013322215 /nfs/dbraw/zinc/32/22/15/1013322215.db2.gz NLVGFBBZPNVMJB-UHFFFAOYSA-N 1 3 367.493 2.842 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCc1cccs1 ZINC001104294403 962378048 /nfs/dbraw/zinc/37/80/48/962378048.db2.gz NYAMKRBDGFZDGP-IAGOWNOFSA-N 1 3 363.571 2.849 20 0 FFADHO Cc1ncsc1C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294755 962387776 /nfs/dbraw/zinc/38/77/76/962387776.db2.gz ZNYYJBICWIHLTL-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000683927762 962729016 /nfs/dbraw/zinc/72/90/16/962729016.db2.gz WVDHMBFNZMPESS-UHFFFAOYSA-N 1 3 350.466 2.749 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000649373397 1013384721 /nfs/dbraw/zinc/38/47/21/1013384721.db2.gz YACLQSSXBMHYFD-PKOBYXMFSA-N 1 3 359.489 2.829 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001087134969 963084199 /nfs/dbraw/zinc/08/41/99/963084199.db2.gz MOTSDOXFSZQJQI-SIXWZSSISA-N 1 3 365.468 2.776 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090169306 963960932 /nfs/dbraw/zinc/96/09/32/963960932.db2.gz XWZFFHTZTFTZRL-NRFANRHFSA-N 1 3 358.574 2.657 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCC(C)C)C1 ZINC001104363754 964099718 /nfs/dbraw/zinc/09/97/18/964099718.db2.gz GTFYJSZMUWHAEJ-RTBURBONSA-N 1 3 369.594 2.854 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(C)cc1Cl ZINC001269408538 964130406 /nfs/dbraw/zinc/13/04/06/964130406.db2.gz RHNYUOPQDDYIBU-DJIMGWMZSA-N 1 3 351.922 2.973 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(C)cc1Cl ZINC001269408538 964130414 /nfs/dbraw/zinc/13/04/14/964130414.db2.gz RHNYUOPQDDYIBU-DJIMGWMZSA-N 1 3 351.922 2.973 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1 ZINC000664424742 964320136 /nfs/dbraw/zinc/32/01/36/964320136.db2.gz FAZIQWZTDUYSJA-GOSISDBHSA-N 1 3 373.545 2.743 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1 ZINC000664424742 964320148 /nfs/dbraw/zinc/32/01/48/964320148.db2.gz FAZIQWZTDUYSJA-GOSISDBHSA-N 1 3 373.545 2.743 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1 ZINC001087165870 964472224 /nfs/dbraw/zinc/47/22/24/964472224.db2.gz OIZIKBAIQBPUGS-YZGWKJHDSA-N 1 3 358.530 2.671 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1 ZINC001087165870 964472232 /nfs/dbraw/zinc/47/22/32/964472232.db2.gz OIZIKBAIQBPUGS-YZGWKJHDSA-N 1 3 358.530 2.671 20 0 FFADHO Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001087168144 964808167 /nfs/dbraw/zinc/80/81/67/964808167.db2.gz VPXJJBGGINOGOM-AHEZYBDSSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001087168144 964808174 /nfs/dbraw/zinc/80/81/74/964808174.db2.gz VPXJJBGGINOGOM-AHEZYBDSSA-N 1 3 364.559 2.508 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000891722881 964961102 /nfs/dbraw/zinc/96/11/02/964961102.db2.gz KRQRPCJYXIANDF-SFTDATJTSA-N 1 3 364.493 2.577 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664714485 965026726 /nfs/dbraw/zinc/02/67/26/965026726.db2.gz ABJFGJRNYNAKFY-FPOVZHCZSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664714485 965026735 /nfs/dbraw/zinc/02/67/35/965026735.db2.gz ABJFGJRNYNAKFY-FPOVZHCZSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNCc2ccccc2F)C1 ZINC001087208178 966437376 /nfs/dbraw/zinc/43/73/76/966437376.db2.gz QWCXJQQZJRYBGV-APWZRJJASA-N 1 3 361.505 2.884 20 0 FFADHO CC(=O)NCc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000665235134 967789720 /nfs/dbraw/zinc/78/97/20/967789720.db2.gz QDULMVXUUKCXLO-RBBKRZOGSA-N 1 3 365.477 2.668 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)c(C)s1 ZINC001075810567 967998504 /nfs/dbraw/zinc/99/85/04/967998504.db2.gz LORHYJKSYPVTAK-IWKCEXAMSA-N 1 3 361.555 2.738 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)c(C)s1 ZINC001075810567 967998510 /nfs/dbraw/zinc/99/85/10/967998510.db2.gz LORHYJKSYPVTAK-IWKCEXAMSA-N 1 3 361.555 2.738 20 0 FFADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000657866593 968107591 /nfs/dbraw/zinc/10/75/91/968107591.db2.gz DDKCNWZSOOYXIP-VXKWHMMOSA-N 1 3 360.542 2.972 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C)cc4)C[C@H]32)CC[N@@H+]1C ZINC001075813482 968182165 /nfs/dbraw/zinc/18/21/65/968182165.db2.gz IJBKDQZESFNCLR-UWHLTILDSA-N 1 3 355.526 2.758 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C)cc4)C[C@H]32)CC[N@H+]1C ZINC001075813482 968182169 /nfs/dbraw/zinc/18/21/69/968182169.db2.gz IJBKDQZESFNCLR-UWHLTILDSA-N 1 3 355.526 2.758 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1cccc(OC)c1 ZINC001087577699 968214936 /nfs/dbraw/zinc/21/49/36/968214936.db2.gz DTIOCRUXZZAFFW-GEALJGNFSA-N 1 3 359.514 2.505 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1cccc(OC)c1 ZINC001087577699 968214942 /nfs/dbraw/zinc/21/49/42/968214942.db2.gz DTIOCRUXZZAFFW-GEALJGNFSA-N 1 3 359.514 2.505 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001176832643 1013784709 /nfs/dbraw/zinc/78/47/09/1013784709.db2.gz XQUJRIPWRMKXIY-UHFFFAOYSA-N 1 3 366.387 2.752 20 0 FFADHO C[C@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000658111278 968534405 /nfs/dbraw/zinc/53/44/05/968534405.db2.gz NJCNZNINTPQXIZ-JXFKEZNVSA-N 1 3 367.493 2.865 20 0 FFADHO COC1CCN(CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000665350043 968823366 /nfs/dbraw/zinc/82/33/66/968823366.db2.gz OUHBPOLGEGENNU-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665355497 969074734 /nfs/dbraw/zinc/07/47/34/969074734.db2.gz XERHRXJANIPVQB-UXHICEINSA-N 1 3 372.557 2.818 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665355497 969074744 /nfs/dbraw/zinc/07/47/44/969074744.db2.gz XERHRXJANIPVQB-UXHICEINSA-N 1 3 372.557 2.818 20 0 FFADHO CN1CC[N@H+](CCCNCc2nccn2C2CC2)[C@H](c2ccccc2)C1 ZINC000892553554 969475201 /nfs/dbraw/zinc/47/52/01/969475201.db2.gz PQCQZINYDOVSID-FQEVSTJZSA-N 1 3 353.514 2.686 20 0 FFADHO CN1CC[N@@H+](CCCNCc2nccn2C2CC2)[C@H](c2ccccc2)C1 ZINC000892553554 969475208 /nfs/dbraw/zinc/47/52/08/969475208.db2.gz PQCQZINYDOVSID-FQEVSTJZSA-N 1 3 353.514 2.686 20 0 FFADHO CCC(CC)[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+](C)C ZINC000659031121 969647696 /nfs/dbraw/zinc/64/76/96/969647696.db2.gz AXNFJWKXXYGFCN-RBUKOAKNSA-N 1 3 362.518 2.835 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)C[C@H]3NCc4ccccc43)CCCC2)CC1 ZINC000659285833 969798386 /nfs/dbraw/zinc/79/83/86/969798386.db2.gz XNJHCLUKIDYVLK-HXUWFJFHSA-N 1 3 371.525 2.761 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)N(C)C)cc1 ZINC000659492286 969982134 /nfs/dbraw/zinc/98/21/34/969982134.db2.gz BWEQOYQPEYRAQE-BIXGBWIQSA-N 1 3 358.530 2.539 20 0 FFADHO [NH3+]C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000659518272 970000244 /nfs/dbraw/zinc/00/02/44/970000244.db2.gz VRGIIMXPADCONJ-FQEVSTJZSA-N 1 3 373.545 2.500 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2F)C1)N(C)C ZINC001104691814 970111909 /nfs/dbraw/zinc/11/19/09/970111909.db2.gz XBKMYKLLOMSNPY-OGWOLHLISA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001104691721 970111938 /nfs/dbraw/zinc/11/19/38/970111938.db2.gz SNTDIVNKBKZIMD-OIISXLGYSA-N 1 3 366.937 2.649 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]Cc1cccc(Cl)c1 ZINC001104729644 970182167 /nfs/dbraw/zinc/18/21/67/970182167.db2.gz YIQGIGHHAUCWJL-GDBMZVCRSA-N 1 3 360.889 2.880 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C/C=C/c4ccccc4)CC[C@@H]3C2)C1 ZINC001088106421 972809915 /nfs/dbraw/zinc/80/99/15/972809915.db2.gz ZGHHWHMLXFYUAQ-CJKBSFIFSA-N 1 3 367.537 2.822 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C/C=C/c4ccccc4)CC[C@@H]3C2)C1 ZINC001088106421 972809929 /nfs/dbraw/zinc/80/99/29/972809929.db2.gz ZGHHWHMLXFYUAQ-CJKBSFIFSA-N 1 3 367.537 2.822 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H]3CCN(C/C=C/Cl)C[C@H]3C2)C1 ZINC001088106743 972826783 /nfs/dbraw/zinc/82/67/83/972826783.db2.gz OSHGEOMARXFAJC-OEYVCLBTSA-N 1 3 371.928 2.732 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@H]3CCN(C/C=C/Cl)C[C@H]3C2)C1 ZINC001088106743 972826794 /nfs/dbraw/zinc/82/67/94/972826794.db2.gz OSHGEOMARXFAJC-OEYVCLBTSA-N 1 3 371.928 2.732 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCCc3cccc(F)c3)CC[C@@H]2C1 ZINC001088120917 972928377 /nfs/dbraw/zinc/92/83/77/972928377.db2.gz FNJOVRBULXQTIK-MSOLQXFVSA-N 1 3 370.472 2.504 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCCc3cccc(F)c3)CC[C@@H]2C1 ZINC001088120917 972928383 /nfs/dbraw/zinc/92/83/83/972928383.db2.gz FNJOVRBULXQTIK-MSOLQXFVSA-N 1 3 370.472 2.504 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]2C1 ZINC001088212842 973683131 /nfs/dbraw/zinc/68/31/31/973683131.db2.gz VLUHTVFAWYPAHD-BHIFYINESA-N 1 3 369.553 2.884 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]2C1 ZINC001088212842 973683135 /nfs/dbraw/zinc/68/31/35/973683135.db2.gz VLUHTVFAWYPAHD-BHIFYINESA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000893439400 973965745 /nfs/dbraw/zinc/96/57/45/973965745.db2.gz FQKJWQTULCCENQ-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000893439400 973965758 /nfs/dbraw/zinc/96/57/58/973965758.db2.gz FQKJWQTULCCENQ-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1cccc([C@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2)c1 ZINC000665761117 974094370 /nfs/dbraw/zinc/09/43/70/974094370.db2.gz XRVLPPMZPOLCJU-ICSRJNTNSA-N 1 3 360.546 2.766 20 0 FFADHO Cc1cccc([C@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2)c1 ZINC000665761117 974094378 /nfs/dbraw/zinc/09/43/78/974094378.db2.gz XRVLPPMZPOLCJU-ICSRJNTNSA-N 1 3 360.546 2.766 20 0 FFADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)C3(NC4CC4)CCC3)c2)CC1 ZINC000662801718 974123235 /nfs/dbraw/zinc/12/32/35/974123235.db2.gz KOSJRQKGLYUBET-UHFFFAOYSA-N 1 3 356.514 2.830 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000662866361 974409026 /nfs/dbraw/zinc/40/90/26/974409026.db2.gz AQJLKYIFMACWSM-SFTDATJTSA-N 1 3 367.493 2.632 20 0 FFADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000662924550 974637419 /nfs/dbraw/zinc/63/74/19/974637419.db2.gz BQSMRTVRKMLLSE-SJLPKXTDSA-N 1 3 371.447 2.931 20 0 FFADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291707 975408118 /nfs/dbraw/zinc/40/81/18/975408118.db2.gz XVZFGHRIVGOUHU-WIYYLYMNSA-N 1 3 357.542 2.754 20 0 FFADHO C[C@H]1Cc2cc(C[NH+]3CCC(C)(CN4CCN(C)CC4)CC3)ccc2O1 ZINC000893565074 975411069 /nfs/dbraw/zinc/41/10/69/975411069.db2.gz WYVDTNXCBSAQDC-SFHVURJKSA-N 1 3 357.542 2.860 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297174 975412386 /nfs/dbraw/zinc/41/23/86/975412386.db2.gz OETFMQBWOIXQGB-RXVVDRJESA-N 1 3 357.542 2.754 20 0 FFADHO CC[C@@H](F)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531585 975946420 /nfs/dbraw/zinc/94/64/20/975946420.db2.gz GPWFDAPQQLBPPR-QKLQHJQFSA-N 1 3 355.542 2.931 20 0 FFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC001075993137 976042479 /nfs/dbraw/zinc/04/24/79/976042479.db2.gz GLXSLDGJQKMDQQ-FXAWDEMLSA-N 1 3 364.424 2.820 20 0 FFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC001075993137 976042490 /nfs/dbraw/zinc/04/24/90/976042490.db2.gz GLXSLDGJQKMDQQ-FXAWDEMLSA-N 1 3 364.424 2.820 20 0 FFADHO O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001075993137 976042496 /nfs/dbraw/zinc/04/24/96/976042496.db2.gz GLXSLDGJQKMDQQ-FXAWDEMLSA-N 1 3 364.424 2.820 20 0 FFADHO C(=C/c1ccccc1)\CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663511350 976090813 /nfs/dbraw/zinc/09/08/13/976090813.db2.gz JIGQURSYIKSBID-RRGNZLCHSA-N 1 3 351.498 2.712 20 0 FFADHO CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C)C1CCCC1 ZINC001088792266 976311123 /nfs/dbraw/zinc/31/11/23/976311123.db2.gz DBKKZATUVPDCPT-NEWSRXKRSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H](C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C)C1CCCC1 ZINC001088792266 976311137 /nfs/dbraw/zinc/31/11/37/976311137.db2.gz DBKKZATUVPDCPT-NEWSRXKRSA-N 1 3 365.562 2.645 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898598007 976562889 /nfs/dbraw/zinc/56/28/89/976562889.db2.gz NQNIPRHLCPSWOT-UHFFFAOYSA-N 1 3 362.518 2.617 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898598007 976562900 /nfs/dbraw/zinc/56/29/00/976562900.db2.gz NQNIPRHLCPSWOT-UHFFFAOYSA-N 1 3 362.518 2.617 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681380 976716544 /nfs/dbraw/zinc/71/65/44/976716544.db2.gz HQEJZEBCHHJBTE-NHCUHLMSSA-N 1 3 362.514 2.787 20 0 FFADHO COc1ccc([C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000876711100 1014359815 /nfs/dbraw/zinc/35/98/15/1014359815.db2.gz TVVJGBMRDMVYKC-XPOHMOCESA-N 1 3 371.525 2.894 20 0 FFADHO COc1ccc([C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000876711098 1014360154 /nfs/dbraw/zinc/36/01/54/1014360154.db2.gz TVVJGBMRDMVYKC-UELCBRBVSA-N 1 3 371.525 2.894 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1ccc(CF)cc1 ZINC001088816908 977009249 /nfs/dbraw/zinc/00/92/49/977009249.db2.gz UJIOXMSMBGCXAM-JSJNYSNDSA-N 1 3 361.505 2.965 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1ccc(CF)cc1 ZINC001088816908 977009258 /nfs/dbraw/zinc/00/92/58/977009258.db2.gz UJIOXMSMBGCXAM-JSJNYSNDSA-N 1 3 361.505 2.965 20 0 FFADHO C[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667802923 977073390 /nfs/dbraw/zinc/07/33/90/977073390.db2.gz BDEVLSVBKKFARF-CABCVRRESA-N 1 3 357.502 2.502 20 0 FFADHO C[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000667802923 977073398 /nfs/dbraw/zinc/07/33/98/977073398.db2.gz BDEVLSVBKKFARF-CABCVRRESA-N 1 3 357.502 2.502 20 0 FFADHO COc1ccccc1C(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663970903 977799884 /nfs/dbraw/zinc/79/98/84/977799884.db2.gz AOJNQQLLRAWZDN-INIZCTEOSA-N 1 3 364.534 2.502 20 0 FFADHO COc1ccccc1C(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663970903 977799892 /nfs/dbraw/zinc/79/98/92/977799892.db2.gz AOJNQQLLRAWZDN-INIZCTEOSA-N 1 3 364.534 2.502 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)c(C)c2)CC1 ZINC000653925482 1014490049 /nfs/dbraw/zinc/49/00/49/1014490049.db2.gz KEKNKTVBZWMEDE-IZAXUBKRSA-N 1 3 373.545 2.599 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000647908872 978464128 /nfs/dbraw/zinc/46/41/28/978464128.db2.gz WVHUOWMJWZJOAQ-UHFFFAOYSA-N 1 3 359.514 2.750 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000653971902 1014511089 /nfs/dbraw/zinc/51/10/89/1014511089.db2.gz SQLGOTUOYSBECA-IBGZPJMESA-N 1 3 366.509 2.888 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCc4ccsc4)C[C@H]32)C1 ZINC001076242773 979274145 /nfs/dbraw/zinc/27/41/45/979274145.db2.gz QXFIHJJCGOZBDK-YTQUADARSA-N 1 3 361.555 2.555 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCc4ccsc4)C[C@H]32)C1 ZINC001076242773 979274152 /nfs/dbraw/zinc/27/41/52/979274152.db2.gz QXFIHJJCGOZBDK-YTQUADARSA-N 1 3 361.555 2.555 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c(C)s1 ZINC001076244541 979278006 /nfs/dbraw/zinc/27/80/06/979278006.db2.gz SORPMUXRKJHKPK-DKSSEZFCSA-N 1 3 361.555 2.739 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c(C)s1 ZINC001076244541 979278013 /nfs/dbraw/zinc/27/80/13/979278013.db2.gz SORPMUXRKJHKPK-DKSSEZFCSA-N 1 3 361.555 2.739 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1(C)C ZINC000877452705 1014588484 /nfs/dbraw/zinc/58/84/84/1014588484.db2.gz QRRYPCWONPKCKF-HVSHLEFESA-N 1 3 365.562 2.665 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)c1 ZINC001076605565 979709396 /nfs/dbraw/zinc/70/93/96/979709396.db2.gz GTVLTVNACSPHJT-PZJWPPBQSA-N 1 3 371.525 2.604 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)[C@@H]3CC[NH3+])c2)CC1 ZINC000904421780 980276331 /nfs/dbraw/zinc/27/63/31/980276331.db2.gz RMERXNWJBRYELG-XLIONFOSSA-N 1 3 373.545 2.810 20 0 FFADHO C[C@H]1CN(Cc2sc(N3CCC(O)CC3)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206004016 1032102091 /nfs/dbraw/zinc/10/20/91/1032102091.db2.gz OYEIWNOKBSXJBV-QWHCGFSZSA-N 1 3 372.966 2.564 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H]1c1ccccc1 ZINC000654509795 1014740598 /nfs/dbraw/zinc/74/05/98/1014740598.db2.gz NONDYRMCJIBXLD-FUMNGEBKSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H]1c1ccccc1 ZINC000654509795 1014740603 /nfs/dbraw/zinc/74/06/03/1014740603.db2.gz NONDYRMCJIBXLD-FUMNGEBKSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@@H](CCNCc1cc(-c2ccccc2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482833742 981558852 /nfs/dbraw/zinc/55/88/52/981558852.db2.gz KVWRTVVATBFZGZ-FRQCXROJSA-N 1 3 370.497 2.666 20 0 FFADHO C[C@@H](CCNCc1cc(-c2ccccc2)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482833742 981558860 /nfs/dbraw/zinc/55/88/60/981558860.db2.gz KVWRTVVATBFZGZ-FRQCXROJSA-N 1 3 370.497 2.666 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000650722387 1014749792 /nfs/dbraw/zinc/74/97/92/1014749792.db2.gz RRNPCXFJLNRZFL-HKBOAZHASA-N 1 3 354.498 2.792 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3Cc4ccccc43)CC2)CC1 ZINC000654543588 1014764888 /nfs/dbraw/zinc/76/48/88/1014764888.db2.gz QODAYXYYCDUHPD-IBGZPJMESA-N 1 3 355.526 2.639 20 0 FFADHO C[NH+](C)C1CCC(N2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC001168314460 982826876 /nfs/dbraw/zinc/82/68/76/982826876.db2.gz LKTPMGYQUXFIHU-UHFFFAOYSA-N 1 3 367.335 2.839 20 0 FFADHO C[C@@H]1CN(Cc2c3c(ccc2Br)OCO3)CCC[C@@H]1C[NH3+] ZINC001206011115 1032107947 /nfs/dbraw/zinc/10/79/47/1032107947.db2.gz ACZKNHZAPRDUTI-VXGBXAGGSA-N 1 3 355.276 2.985 20 0 FFADHO O=C1Cc2ccccc2N1C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168380412 984367927 /nfs/dbraw/zinc/36/79/27/984367927.db2.gz SFWJMWBDYHXIRP-UHFFFAOYSA-N 1 3 353.510 2.915 20 0 FFADHO c1ccc(O[C@H]2CO[C@@]3(C2)CCC[N@@H+](C2CCN(CC4CC4)CC2)C3)nc1 ZINC001168381761 984383591 /nfs/dbraw/zinc/38/35/91/984383591.db2.gz ZSIWEYMPTHLERQ-IFMALSPDSA-N 1 3 371.525 2.958 20 0 FFADHO c1ccc(O[C@H]2CO[C@@]3(C2)CCC[N@H+](C2CCN(CC4CC4)CC2)C3)nc1 ZINC001168381761 984383597 /nfs/dbraw/zinc/38/35/97/984383597.db2.gz ZSIWEYMPTHLERQ-IFMALSPDSA-N 1 3 371.525 2.958 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)N1CCc2ccccc2C1 ZINC000669292943 984414670 /nfs/dbraw/zinc/41/46/70/984414670.db2.gz XITXZGMCWBLDGA-LSTHTHJFSA-N 1 3 358.530 2.592 20 0 FFADHO O=C1c2ccccc2CN1C1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168395217 984472527 /nfs/dbraw/zinc/47/25/27/984472527.db2.gz QUEGIGLNNYLHTA-UHFFFAOYSA-N 1 3 353.510 2.981 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000669405675 984535993 /nfs/dbraw/zinc/53/59/93/984535993.db2.gz GACILYUEGIDCNL-QFUCXCTJSA-N 1 3 356.514 2.607 20 0 FFADHO CC(C)COCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438423 984539265 /nfs/dbraw/zinc/53/92/65/984539265.db2.gz AMQVTKKQPKFZCI-TZIWHRDSSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)COCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438423 984539269 /nfs/dbraw/zinc/53/92/69/984539269.db2.gz AMQVTKKQPKFZCI-TZIWHRDSSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)CN(C)C4CCC4)CCC[C@@H]23)c1 ZINC001107439352 984540269 /nfs/dbraw/zinc/54/02/69/984540269.db2.gz XDLYCZDEXIVUIE-IFMALSPDSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)CN(C)C4CCC4)CCC[C@@H]23)c1 ZINC001107439352 984540272 /nfs/dbraw/zinc/54/02/72/984540272.db2.gz XDLYCZDEXIVUIE-IFMALSPDSA-N 1 3 370.541 2.735 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCOCC1)CC2 ZINC001107454310 984559530 /nfs/dbraw/zinc/55/95/30/984559530.db2.gz BDHBNNQQLBIXJF-WIYYLYMNSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCOCC1)CC2 ZINC001107454310 984559534 /nfs/dbraw/zinc/55/95/34/984559534.db2.gz BDHBNNQQLBIXJF-WIYYLYMNSA-N 1 3 365.562 2.504 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C[C@H]21 ZINC000669483678 984652993 /nfs/dbraw/zinc/65/29/93/984652993.db2.gz GXIYIOUUOKHJSV-XRXFAXGQSA-N 1 3 370.541 2.982 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C[C@@H]21 ZINC000669483677 984653178 /nfs/dbraw/zinc/65/31/78/984653178.db2.gz GXIYIOUUOKHJSV-PLACYPQZSA-N 1 3 370.541 2.982 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCF)CC3)C1 ZINC001107549847 984667524 /nfs/dbraw/zinc/66/75/24/984667524.db2.gz HOYUBBKKBDZRID-AHRSYUTCSA-N 1 3 371.516 2.919 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCF)CC3)C1 ZINC001107549847 984667527 /nfs/dbraw/zinc/66/75/27/984667527.db2.gz HOYUBBKKBDZRID-AHRSYUTCSA-N 1 3 371.516 2.919 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CC2)CC3)C1 ZINC001107550192 984668818 /nfs/dbraw/zinc/66/88/18/984668818.db2.gz PJDPZCIHERQFTA-DUXKGJEZSA-N 1 3 365.537 2.970 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC2)CC3)C1 ZINC001107550192 984668823 /nfs/dbraw/zinc/66/88/23/984668823.db2.gz PJDPZCIHERQFTA-DUXKGJEZSA-N 1 3 365.537 2.970 20 0 FFADHO CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567334 984711367 /nfs/dbraw/zinc/71/13/67/984711367.db2.gz RNXPZYAIHZGMRG-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567334 984711371 /nfs/dbraw/zinc/71/13/71/984711371.db2.gz RNXPZYAIHZGMRG-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO C[NH+]1CCC(CC(=O)NC[C@]23CCC[C@H]2N(C/C=C/Cl)CC3)CC1 ZINC001107567595 984714059 /nfs/dbraw/zinc/71/40/59/984714059.db2.gz AMYLPDOOWJOTCI-RZYNZAFVSA-N 1 3 353.938 2.832 20 0 FFADHO COC(=O)/C=C/c1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000796461648 1015059410 /nfs/dbraw/zinc/05/94/10/1015059410.db2.gz SDQPPSNYTYINSS-QJJZWGMMSA-N 1 3 358.482 2.809 20 0 FFADHO COC(=O)/C=C/c1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000796461648 1015059419 /nfs/dbraw/zinc/05/94/19/1015059419.db2.gz SDQPPSNYTYINSS-QJJZWGMMSA-N 1 3 358.482 2.809 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC[C@H]1CCOC1)CC2 ZINC001107646099 984914957 /nfs/dbraw/zinc/91/49/57/984914957.db2.gz CDHRBJNUEBKHBO-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC[C@H]1CCOC1)CC2 ZINC001107646099 984914965 /nfs/dbraw/zinc/91/49/65/984914965.db2.gz CDHRBJNUEBKHBO-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](C[C@H]1CCOC1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000765096206 984961749 /nfs/dbraw/zinc/96/17/49/984961749.db2.gz WKCPGLBBRRYABL-IFMALSPDSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccccc2F)CC1 ZINC000997100686 985131355 /nfs/dbraw/zinc/13/13/55/985131355.db2.gz NSFBCSTWCUTWTQ-GPMSIDNRSA-N 1 3 361.505 2.883 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccccc2F)CC1 ZINC000997100686 985131359 /nfs/dbraw/zinc/13/13/59/985131359.db2.gz NSFBCSTWCUTWTQ-GPMSIDNRSA-N 1 3 361.505 2.883 20 0 FFADHO O=C(N[C@]12CCC[C@H]1CN(Cc1cccc(F)c1)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001098841337 985292737 /nfs/dbraw/zinc/29/27/37/985292737.db2.gz IHPQCURCCNRPDS-VCOUNFBDSA-N 1 3 371.500 2.638 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1C)N1CCCCCC1 ZINC001088897632 985363512 /nfs/dbraw/zinc/36/35/12/985363512.db2.gz QWUGZUHUFTYRDG-VYDXJSESSA-N 1 3 357.489 2.875 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H]1C)N1CCCCCC1 ZINC001088897632 985363522 /nfs/dbraw/zinc/36/35/22/985363522.db2.gz QWUGZUHUFTYRDG-VYDXJSESSA-N 1 3 357.489 2.875 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCN1C[C@H]1CCCCO1 ZINC001088922658 985467939 /nfs/dbraw/zinc/46/79/39/985467939.db2.gz WVPBGHOTWIXROA-AHRSYUTCSA-N 1 3 359.514 2.510 20 0 FFADHO OC[C@H]1CCCN(CC(C[N@@H+]2CCC[C@H](CO)CC2)c2ccccc2)CC1 ZINC000878656539 1015153127 /nfs/dbraw/zinc/15/31/27/1015153127.db2.gz RJQLEHOPLJGZFL-SFTDATJTSA-N 1 3 374.569 2.959 20 0 FFADHO OC[C@H]1CCCN(CC(C[N@H+]2CCC[C@H](CO)CC2)c2ccccc2)CC1 ZINC000878656539 1015153131 /nfs/dbraw/zinc/15/31/31/1015153131.db2.gz RJQLEHOPLJGZFL-SFTDATJTSA-N 1 3 374.569 2.959 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(C2CC2)cc1 ZINC001088983660 985752781 /nfs/dbraw/zinc/75/27/81/985752781.db2.gz IPAGDYQJEKRORQ-UZLBHIALSA-N 1 3 353.510 2.739 20 0 FFADHO COc1ccc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)c1O ZINC001206026000 1032112438 /nfs/dbraw/zinc/11/24/38/1032112438.db2.gz QJJCTGOVECVRTC-VXGBXAGGSA-N 1 3 357.292 2.970 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1cc2ccccc2s1 ZINC001089038988 986055837 /nfs/dbraw/zinc/05/58/37/986055837.db2.gz SAJKVUZXOPZAIP-KYJSFNMBSA-N 1 3 357.523 2.932 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1cc2ccccc2s1 ZINC001089038988 986055853 /nfs/dbraw/zinc/05/58/53/986055853.db2.gz SAJKVUZXOPZAIP-KYJSFNMBSA-N 1 3 357.523 2.932 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000999201473 986396546 /nfs/dbraw/zinc/39/65/46/986396546.db2.gz SUTZHCBAEUBBJD-JTDSTZFVSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000999201473 986396549 /nfs/dbraw/zinc/39/65/49/986396549.db2.gz SUTZHCBAEUBBJD-JTDSTZFVSA-N 1 3 365.468 2.776 20 0 FFADHO COCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540031 986422722 /nfs/dbraw/zinc/42/27/22/986422722.db2.gz BSWFNVHGIGJOCA-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)c2ccco2)CC1 ZINC000088735070 986580926 /nfs/dbraw/zinc/58/09/26/986580926.db2.gz KQJSHZPIUCCRJJ-NRFANRHFSA-N 1 3 357.498 2.809 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1OC ZINC001212487109 987683153 /nfs/dbraw/zinc/68/31/53/987683153.db2.gz RWRBBBVAKVLPBF-QZTJIDSGSA-N 1 3 353.551 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1OC ZINC001212487109 987683156 /nfs/dbraw/zinc/68/31/56/987683156.db2.gz RWRBBBVAKVLPBF-QZTJIDSGSA-N 1 3 353.551 2.503 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC(C)(C)N1CCc2ccccc2C1 ZINC000914562379 987789765 /nfs/dbraw/zinc/78/97/65/987789765.db2.gz ONFNIVRREWFXGD-LJQANCHMSA-N 1 3 374.598 2.772 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCC(C)(C)N1CCc2ccccc2C1 ZINC000914562379 987789769 /nfs/dbraw/zinc/78/97/69/987789769.db2.gz ONFNIVRREWFXGD-LJQANCHMSA-N 1 3 374.598 2.772 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1)N(C)C ZINC001106313267 987945944 /nfs/dbraw/zinc/94/59/44/987945944.db2.gz USOPKTIHFLAMTA-RBSFLKMASA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC001106665070 988607450 /nfs/dbraw/zinc/60/74/50/988607450.db2.gz GVDBIIVWJDSMDK-ZHALLVOQSA-N 1 3 361.505 2.537 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1 ZINC001106665156 988608000 /nfs/dbraw/zinc/60/80/00/988608000.db2.gz JZOUZSFALPNTCD-WOIUINJBSA-N 1 3 371.569 2.960 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC001106785088 989052323 /nfs/dbraw/zinc/05/23/23/989052323.db2.gz WQLBPXPBRKOQOJ-NVXWUHKLSA-N 1 3 359.505 2.838 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCC1 ZINC000673768099 989251450 /nfs/dbraw/zinc/25/14/50/989251450.db2.gz ATSKVEBHXDCAIV-IBGZPJMESA-N 1 3 358.530 2.778 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000262544018 989366386 /nfs/dbraw/zinc/36/63/86/989366386.db2.gz RPVWVJDGWAXWAX-YLJYHZDGSA-N 1 3 373.447 2.902 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000652167430 1015484694 /nfs/dbraw/zinc/48/46/94/1015484694.db2.gz UHIHOECANPAJEO-UWJYYQICSA-N 1 3 366.509 2.868 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000652167429 1015485405 /nfs/dbraw/zinc/48/54/05/1015485405.db2.gz UHIHOECANPAJEO-UTKZUKDTSA-N 1 3 366.509 2.868 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000674706791 989889600 /nfs/dbraw/zinc/88/96/00/989889600.db2.gz LJOPJXQPJLGBHQ-WSTZPKSXSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C[N@H+]1C1CC1 ZINC000674706791 989889611 /nfs/dbraw/zinc/88/96/11/989889611.db2.gz LJOPJXQPJLGBHQ-WSTZPKSXSA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000675200678 990108480 /nfs/dbraw/zinc/10/84/80/990108480.db2.gz VRVHJTLWYFLPSU-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000920309833 990829459 /nfs/dbraw/zinc/82/94/59/990829459.db2.gz PJYSBSIZCGXPTR-GOSISDBHSA-N 1 3 374.598 2.990 20 0 FFADHO CC(C)(C)n1cc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1 ZINC000923328950 991064917 /nfs/dbraw/zinc/06/49/17/991064917.db2.gz YRCUPCDTPPIXRV-CTXDPNEZSA-N 1 3 359.562 2.676 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079153550 991818961 /nfs/dbraw/zinc/81/89/61/991818961.db2.gz NAFDPAPMXJUVGP-RBUKOAKNSA-N 1 3 361.505 2.994 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CNCc2ccccc21 ZINC000382732415 991992018 /nfs/dbraw/zinc/99/20/18/991992018.db2.gz CTGJINGDJKBHCI-KNQAVFIVSA-N 1 3 363.505 2.854 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CNCc2ccccc21 ZINC000382732415 991992027 /nfs/dbraw/zinc/99/20/27/991992027.db2.gz CTGJINGDJKBHCI-KNQAVFIVSA-N 1 3 363.505 2.854 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001079687564 992312747 /nfs/dbraw/zinc/31/27/47/992312747.db2.gz RFEKKXQWNMWXND-HBGVWJBISA-N 1 3 368.525 2.977 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001079687564 992312756 /nfs/dbraw/zinc/31/27/56/992312756.db2.gz RFEKKXQWNMWXND-HBGVWJBISA-N 1 3 368.525 2.977 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000414727087 992708654 /nfs/dbraw/zinc/70/86/54/992708654.db2.gz ADVLHLXKEOMNIX-SJORKVTESA-N 1 3 359.518 2.528 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)c1 ZINC001080188451 992806966 /nfs/dbraw/zinc/80/69/66/992806966.db2.gz HFUMNFFHXQWHSG-UIFIKXQLSA-N 1 3 355.526 2.806 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)c1 ZINC001080188451 992806971 /nfs/dbraw/zinc/80/69/71/992806971.db2.gz HFUMNFFHXQWHSG-UIFIKXQLSA-N 1 3 355.526 2.806 20 0 FFADHO Cc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001080188451 992806978 /nfs/dbraw/zinc/80/69/78/992806978.db2.gz HFUMNFFHXQWHSG-UIFIKXQLSA-N 1 3 355.526 2.806 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC001080554650 993160108 /nfs/dbraw/zinc/16/01/08/993160108.db2.gz ZRSZTHGBBPHSFP-SVFBPWRDSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC001080554650 993160113 /nfs/dbraw/zinc/16/01/13/993160113.db2.gz ZRSZTHGBBPHSFP-SVFBPWRDSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC000880258160 1015791908 /nfs/dbraw/zinc/79/19/08/1015791908.db2.gz DKNNRTPNQJDVIS-MSOLQXFVSA-N 1 3 358.530 2.877 20 0 FFADHO CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799270 993976080 /nfs/dbraw/zinc/97/60/80/993976080.db2.gz JWIJXAXTQISFTB-XUVXKRRUSA-N 1 3 363.546 2.565 20 0 FFADHO CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799270 993976094 /nfs/dbraw/zinc/97/60/94/993976094.db2.gz JWIJXAXTQISFTB-XUVXKRRUSA-N 1 3 363.546 2.565 20 0 FFADHO CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001131522714 994364083 /nfs/dbraw/zinc/36/40/83/994364083.db2.gz VLCCCUJPEAFQHL-MSOLQXFVSA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001131562167 994397034 /nfs/dbraw/zinc/39/70/34/994397034.db2.gz NIZCCMIWMFEMJB-DSKINZAPSA-N 1 3 365.562 2.503 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001131571031 994409137 /nfs/dbraw/zinc/40/91/37/994409137.db2.gz YAGOKIUDLVJSBZ-RTFJMEGXSA-N 1 3 365.562 2.669 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)C(C)(C)CO4)CC2)CC1 ZINC000810272643 994750748 /nfs/dbraw/zinc/75/07/48/994750748.db2.gz OXEAVXARNIEJCL-UHFFFAOYSA-N 1 3 371.525 2.645 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC001082512194 994759396 /nfs/dbraw/zinc/75/93/96/994759396.db2.gz QPNIXSMJYLWFEC-GUDVDZBRSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082507078 994786281 /nfs/dbraw/zinc/78/62/81/994786281.db2.gz AVYYSNYIVXRJJK-ZMYBRWDISA-N 1 3 365.468 2.774 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082507078 994786291 /nfs/dbraw/zinc/78/62/91/994786291.db2.gz AVYYSNYIVXRJJK-ZMYBRWDISA-N 1 3 365.468 2.774 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810449808 994791128 /nfs/dbraw/zinc/79/11/28/994791128.db2.gz OKSSQLOXXHNJNX-GHTZIAJQSA-N 1 3 361.505 2.932 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810449808 994791141 /nfs/dbraw/zinc/79/11/41/994791141.db2.gz OKSSQLOXXHNJNX-GHTZIAJQSA-N 1 3 361.505 2.932 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC001082559807 994933963 /nfs/dbraw/zinc/93/39/63/994933963.db2.gz PTPOVDGIEWOQSO-XYPHTWIQSA-N 1 3 357.489 2.589 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)N(C)C ZINC001082589240 995001868 /nfs/dbraw/zinc/00/18/68/995001868.db2.gz QOVGIMQHPUPCHE-KBRIMQKVSA-N 1 3 353.457 2.901 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1)N(C)C ZINC001082589243 995002198 /nfs/dbraw/zinc/00/21/98/995002198.db2.gz QRLUULQHHHUXOC-ZTFGCOKTSA-N 1 3 351.922 2.925 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C)s1 ZINC001082612596 995089928 /nfs/dbraw/zinc/08/99/28/995089928.db2.gz WBIVVBCPHDDCJT-OLMNPRSZSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C)s1 ZINC001082612596 995089936 /nfs/dbraw/zinc/08/99/36/995089936.db2.gz WBIVVBCPHDDCJT-OLMNPRSZSA-N 1 3 364.559 2.508 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001086694110 995125740 /nfs/dbraw/zinc/12/57/40/995125740.db2.gz CEQZELMVOBXQJE-UAGQMJEPSA-N 1 3 357.489 2.779 20 0 FFADHO CC(C)C[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000811501066 995169652 /nfs/dbraw/zinc/16/96/52/995169652.db2.gz QYHZRWPFQQTYRR-KRWDZBQOSA-N 1 3 370.582 2.541 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CCC2CC2)CC[N@@H+]1C ZINC001054042167 1015928990 /nfs/dbraw/zinc/92/89/90/1015928990.db2.gz QLRMXDOCFZHBRP-MAODMQOUSA-N 1 3 355.526 2.670 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CCC2CC2)CC[N@H+]1C ZINC001054042167 1015928996 /nfs/dbraw/zinc/92/89/96/1015928996.db2.gz QLRMXDOCFZHBRP-MAODMQOUSA-N 1 3 355.526 2.670 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cnc(C)s3)C2)C1 ZINC001082698445 995292873 /nfs/dbraw/zinc/29/28/73/995292873.db2.gz HSKVWQUWFYGXJO-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cnc(C)s3)C2)C1 ZINC001082698445 995292882 /nfs/dbraw/zinc/29/28/82/995292882.db2.gz HSKVWQUWFYGXJO-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c(OC)c2)C1)N(C)C ZINC001082748685 995336647 /nfs/dbraw/zinc/33/66/47/995336647.db2.gz XBRBTOPZZLAYAL-XYPHTWIQSA-N 1 3 367.921 2.625 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1sccc1Cl ZINC001082741859 995399009 /nfs/dbraw/zinc/39/90/09/995399009.db2.gz GHKFOGQEWIBFIH-GZBFAFLISA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1sccc1Cl ZINC001082741859 995399015 /nfs/dbraw/zinc/39/90/15/995399015.db2.gz GHKFOGQEWIBFIH-GZBFAFLISA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1cccc(Cl)c1F ZINC001082742030 995399161 /nfs/dbraw/zinc/39/91/61/995399161.db2.gz OAZBMUYJBYLHBS-JJRVBVJISA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1cccc(Cl)c1F ZINC001082742030 995399169 /nfs/dbraw/zinc/39/91/69/995399169.db2.gz OAZBMUYJBYLHBS-JJRVBVJISA-N 1 3 367.896 2.757 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C)sn1 ZINC001082783427 995491341 /nfs/dbraw/zinc/49/13/41/995491341.db2.gz XWJPEGKUUGDNGE-OLMNPRSZSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C)sn1 ZINC001082783427 995491343 /nfs/dbraw/zinc/49/13/43/995491343.db2.gz XWJPEGKUUGDNGE-OLMNPRSZSA-N 1 3 364.559 2.651 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001082943553 995881792 /nfs/dbraw/zinc/88/17/92/995881792.db2.gz NYHOQAFUTPAUIQ-AHRSYUTCSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(CN2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001049483211 1016010428 /nfs/dbraw/zinc/01/04/28/1016010428.db2.gz SYKWQUYENCCAFU-WLRLJWMZSA-N 1 3 370.541 2.604 20 0 FFADHO Cc1ccc(CN2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1 ZINC001049483211 1016010437 /nfs/dbraw/zinc/01/04/37/1016010437.db2.gz SYKWQUYENCCAFU-WLRLJWMZSA-N 1 3 370.541 2.604 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000679337069 1016009494 /nfs/dbraw/zinc/00/94/94/1016009494.db2.gz JWXIHYMQDZQGNA-VQIMIIECSA-N 1 3 360.502 2.575 20 0 FFADHO CC1(C)CC(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N4CCCC4)[C@@H]3C2)C1 ZINC001084545290 996665597 /nfs/dbraw/zinc/66/55/97/996665597.db2.gz CTKCJRRGFNFNDN-AQNXPRMDSA-N 1 3 359.558 2.830 20 0 FFADHO CC1(C)CC(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N4CCCC4)[C@@H]3C2)C1 ZINC001084545290 996665602 /nfs/dbraw/zinc/66/56/02/996665602.db2.gz CTKCJRRGFNFNDN-AQNXPRMDSA-N 1 3 359.558 2.830 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572076 996685405 /nfs/dbraw/zinc/68/54/05/996685405.db2.gz TUFHNDJAEKJSTR-WOJBJXKFSA-N 1 3 355.526 2.902 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084639092 996744400 /nfs/dbraw/zinc/74/44/00/996744400.db2.gz DVGLOUNIMLDVLN-HMXCVIKNSA-N 1 3 357.542 2.922 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084639092 996744405 /nfs/dbraw/zinc/74/44/05/996744405.db2.gz DVGLOUNIMLDVLN-HMXCVIKNSA-N 1 3 357.542 2.922 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c(C)c1 ZINC001084662399 996772849 /nfs/dbraw/zinc/77/28/49/996772849.db2.gz IHXDLRJZCSHZDX-DUXKGJEZSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c(C)c1 ZINC001084662399 996772854 /nfs/dbraw/zinc/77/28/54/996772854.db2.gz IHXDLRJZCSHZDX-DUXKGJEZSA-N 1 3 355.526 2.678 20 0 FFADHO CC[C@@H](C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)N(CC)CC ZINC000844163927 997706455 /nfs/dbraw/zinc/70/64/55/997706455.db2.gz PJEKPOJNVZZPJX-YJBOKZPZSA-N 1 3 361.486 2.654 20 0 FFADHO CC[C@H](C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)N(CC)CC ZINC000844163726 997706537 /nfs/dbraw/zinc/70/65/37/997706537.db2.gz VMSQIXXDDYEBNY-ZWKOTPCHSA-N 1 3 361.486 2.654 20 0 FFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731678957 998143387 /nfs/dbraw/zinc/14/33/87/998143387.db2.gz TWMYVGFLDZNNCS-UHFFFAOYSA-N 1 3 373.541 2.823 20 0 FFADHO C[C@@H](NCc1ccc(C[NH3+])cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000844924302 998232407 /nfs/dbraw/zinc/23/24/07/998232407.db2.gz OJLMQTCSYCHUBR-IERDGZPVSA-N 1 3 357.473 2.664 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001091039083 998276490 /nfs/dbraw/zinc/27/64/90/998276490.db2.gz KYZAIEDYBGLCJA-ZRPLWEQMSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001091039083 998276501 /nfs/dbraw/zinc/27/65/01/998276501.db2.gz KYZAIEDYBGLCJA-ZRPLWEQMSA-N 1 3 365.468 2.680 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3CC[N@H+](CC4CC4)[C@H]3C2)C1 ZINC001085033060 998723323 /nfs/dbraw/zinc/72/33/23/998723323.db2.gz OPZAYHNBEHEPDT-UWVAXJGDSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3CC[N@@H+](CC4CC4)[C@H]3C2)C1 ZINC001085033060 998723324 /nfs/dbraw/zinc/72/33/24/998723324.db2.gz OPZAYHNBEHEPDT-UWVAXJGDSA-N 1 3 351.510 2.532 20 0 FFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033245 998724344 /nfs/dbraw/zinc/72/43/44/998724344.db2.gz XGULNGBKHUORCW-UWVAXJGDSA-N 1 3 353.526 2.922 20 0 FFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033245 998724348 /nfs/dbraw/zinc/72/43/48/998724348.db2.gz XGULNGBKHUORCW-UWVAXJGDSA-N 1 3 353.526 2.922 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001085072292 998852685 /nfs/dbraw/zinc/85/26/85/998852685.db2.gz RGWQZVDBISPSEP-HOJAQTOUSA-N 1 3 365.537 2.779 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(OCCc3ccccc3)CC2)cnn1C ZINC000903887302 1016288913 /nfs/dbraw/zinc/28/89/13/1016288913.db2.gz YKTYGTCDFXMJEA-FQEVSTJZSA-N 1 3 370.541 2.570 20 0 FFADHO Clc1ccccc1N1CCC[C@@H](NCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903926466 1016308803 /nfs/dbraw/zinc/30/88/03/1016308803.db2.gz SJBYJKWMNZISRL-HZPDHXFCSA-N 1 3 374.920 2.615 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)CC1 ZINC001085319930 999357037 /nfs/dbraw/zinc/35/70/37/999357037.db2.gz WGOMZHZUZOWTNP-RTBURBONSA-N 1 3 365.468 2.824 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001085332492 999378979 /nfs/dbraw/zinc/37/89/79/999378979.db2.gz AEGSPOBJSNYZMX-MORSLUCNSA-N 1 3 364.559 2.619 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(Cl)s2)C1 ZINC001085393642 999453829 /nfs/dbraw/zinc/45/38/29/999453829.db2.gz GCRHUUGBAAYHDZ-BPLDGKMQSA-N 1 3 370.950 2.655 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(Cl)s2)C1 ZINC001085393642 999453832 /nfs/dbraw/zinc/45/38/32/999453832.db2.gz GCRHUUGBAAYHDZ-BPLDGKMQSA-N 1 3 370.950 2.655 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001086091693 999762949 /nfs/dbraw/zinc/76/29/49/999762949.db2.gz JOZKLPDDVJEIQB-ZNWBIBPKSA-N 1 3 361.505 2.849 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001086091693 999762951 /nfs/dbraw/zinc/76/29/51/999762951.db2.gz JOZKLPDDVJEIQB-ZNWBIBPKSA-N 1 3 361.505 2.849 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC001086371129 999875999 /nfs/dbraw/zinc/87/59/99/999875999.db2.gz RJVPPWQLCDUZNT-AAVRWANBSA-N 1 3 355.935 2.726 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3sccc3Cl)C2)CC[N@H+]1C ZINC001086371129 999876000 /nfs/dbraw/zinc/87/60/00/999876000.db2.gz RJVPPWQLCDUZNT-AAVRWANBSA-N 1 3 355.935 2.726 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)CN(c1ccccc1)C(=O)CO3)C2 ZINC001169134653 1000024392 /nfs/dbraw/zinc/02/43/92/1000024392.db2.gz WERZXRCBCFVGRK-PMOLBWCYSA-N 1 3 369.509 2.510 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)CN(c1ccccc1)C(=O)CO3)C2 ZINC001169134653 1000024393 /nfs/dbraw/zinc/02/43/93/1000024393.db2.gz WERZXRCBCFVGRK-PMOLBWCYSA-N 1 3 369.509 2.510 20 0 FFADHO CC1(C)C[C@H](Nc2cccc(=NN3C(=O)CCC3=O)[nH]2)C[C@](C)(C[NH3+])C1 ZINC001169146717 1000027548 /nfs/dbraw/zinc/02/75/48/1000027548.db2.gz RXOKHYLWIJOLMS-DJJJIMSYSA-N 1 3 359.474 2.513 20 0 FFADHO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153946 1000028183 /nfs/dbraw/zinc/02/81/83/1000028183.db2.gz MUBOZFJHBQMYJW-LRSLUSHPSA-N 1 3 357.542 2.835 20 0 FFADHO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153946 1000028185 /nfs/dbraw/zinc/02/81/85/1000028185.db2.gz MUBOZFJHBQMYJW-LRSLUSHPSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153946 1000028188 /nfs/dbraw/zinc/02/81/88/1000028188.db2.gz MUBOZFJHBQMYJW-LRSLUSHPSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153946 1000028192 /nfs/dbraw/zinc/02/81/92/1000028192.db2.gz MUBOZFJHBQMYJW-LRSLUSHPSA-N 1 3 357.542 2.835 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CO1 ZINC001169329854 1000040522 /nfs/dbraw/zinc/04/05/22/1000040522.db2.gz TVUXVRHECIMPFW-IFLJBQAJSA-N 1 3 372.509 2.597 20 0 FFADHO NCc1ccc2c(n1)N(c1ccc([C@]34CC[NH2+][C@@H]3COCC4)cc1)CCC2 ZINC001169591877 1000060104 /nfs/dbraw/zinc/06/01/04/1000060104.db2.gz BBZYGFPPDWPCCA-IFMALSPDSA-N 1 3 364.493 2.645 20 0 FFADHO CCOC(=O)N1CCC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001169664573 1000067243 /nfs/dbraw/zinc/06/72/43/1000067243.db2.gz PEZFEKMXKSFNCT-IBGZPJMESA-N 1 3 374.529 2.894 20 0 FFADHO COCCC1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1 ZINC001171256968 1000478411 /nfs/dbraw/zinc/47/84/11/1000478411.db2.gz XNUMFKYMQZKVRV-YOFSQIOKSA-N 1 3 371.525 2.652 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NN3CCCc4ccccc43)CC2)CC1 ZINC000847042776 1000531091 /nfs/dbraw/zinc/53/10/91/1000531091.db2.gz CLWUPPBVGVUZPB-UHFFFAOYSA-N 1 3 370.541 2.667 20 0 FFADHO CN1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)N3C(=O)c1ccccc1)CC2 ZINC001171275558 1000641688 /nfs/dbraw/zinc/64/16/88/1000641688.db2.gz KAGSLLIILQECJU-YOFSQIOKSA-N 1 3 353.510 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(Cc3ccc(C)cc3)CC2)CC[N@@H+]1C ZINC001000694500 1016434447 /nfs/dbraw/zinc/43/44/47/1016434447.db2.gz CKCMFQVUZXXEOP-LEWJYISDSA-N 1 3 355.526 2.974 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(Cc3ccc(C)cc3)CC2)CC[N@H+]1C ZINC001000694500 1016434455 /nfs/dbraw/zinc/43/44/55/1016434455.db2.gz CKCMFQVUZXXEOP-LEWJYISDSA-N 1 3 355.526 2.974 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCOCC1)N(CC)CC ZINC001109714227 1000897059 /nfs/dbraw/zinc/89/70/59/1000897059.db2.gz CJSSGLSAIRLZHL-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCOCC1)N(CC)CC ZINC001109714227 1000897061 /nfs/dbraw/zinc/89/70/61/1000897061.db2.gz CJSSGLSAIRLZHL-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091666805 1000989901 /nfs/dbraw/zinc/98/99/01/1000989901.db2.gz GSNHLOJHMJQGQK-AOIWGVFYSA-N 1 3 369.500 2.685 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091666805 1000989908 /nfs/dbraw/zinc/98/99/08/1000989908.db2.gz GSNHLOJHMJQGQK-AOIWGVFYSA-N 1 3 369.500 2.685 20 0 FFADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC001148130499 1001048058 /nfs/dbraw/zinc/04/80/58/1001048058.db2.gz NOYQKVQGOLYXOV-PMACEKPBSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC001148130499 1001048063 /nfs/dbraw/zinc/04/80/63/1001048063.db2.gz NOYQKVQGOLYXOV-PMACEKPBSA-N 1 3 355.526 2.745 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCOC)C(C)C ZINC001109860361 1001091113 /nfs/dbraw/zinc/09/11/13/1001091113.db2.gz ZWJRTJITRDCCRQ-FYQPLNBISA-N 1 3 367.578 2.891 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001091715522 1001133107 /nfs/dbraw/zinc/13/31/07/1001133107.db2.gz AVARHAIUAGVKET-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001091715522 1001133111 /nfs/dbraw/zinc/13/31/11/1001133111.db2.gz AVARHAIUAGVKET-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CC4CC5(CCC5)C4)C[C@@]3(C)C2)CCC1 ZINC001091735899 1001172518 /nfs/dbraw/zinc/17/25/18/1001172518.db2.gz ZLOXCRZJFRKSMO-QUCCMNQESA-N 1 3 359.558 2.831 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CC4CC5(CCC5)C4)C[C@@]3(C)C2)CCC1 ZINC001091735899 1001172520 /nfs/dbraw/zinc/17/25/20/1001172520.db2.gz ZLOXCRZJFRKSMO-QUCCMNQESA-N 1 3 359.558 2.831 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c(C)c1 ZINC001091738112 1001183562 /nfs/dbraw/zinc/18/35/62/1001183562.db2.gz QRWKUQGZQASGIE-XPNTWCBSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c(C)c1 ZINC001091738112 1001183563 /nfs/dbraw/zinc/18/35/63/1001183563.db2.gz QRWKUQGZQASGIE-XPNTWCBSSA-N 1 3 369.553 2.924 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC001149010972 1001245027 /nfs/dbraw/zinc/24/50/27/1001245027.db2.gz ICDYKXUFXRCFSV-NQIIRXRSSA-N 1 3 372.557 2.677 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC001149010972 1001245032 /nfs/dbraw/zinc/24/50/32/1001245032.db2.gz ICDYKXUFXRCFSV-NQIIRXRSSA-N 1 3 372.557 2.677 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2scnc2C)C1 ZINC001112548658 1001458268 /nfs/dbraw/zinc/45/82/68/1001458268.db2.gz KFXFWMPZLNFJNH-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785712241 1001476777 /nfs/dbraw/zinc/47/67/77/1001476777.db2.gz HGNZQYCFMKPNSE-NRFANRHFSA-N 1 3 374.525 2.922 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785712241 1001476780 /nfs/dbraw/zinc/47/67/80/1001476780.db2.gz HGNZQYCFMKPNSE-NRFANRHFSA-N 1 3 374.525 2.922 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001112586052 1001538150 /nfs/dbraw/zinc/53/81/50/1001538150.db2.gz FGHIRPFBYANMNV-RXVVDRJESA-N 1 3 361.505 2.884 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000746675594 1001683836 /nfs/dbraw/zinc/68/38/36/1001683836.db2.gz NLYARBWLMYDFCS-NRFANRHFSA-N 1 3 373.541 2.855 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788646843 1001833014 /nfs/dbraw/zinc/83/30/14/1001833014.db2.gz SUKVVPBQHGOSLZ-BRWVUGGUSA-N 1 3 369.550 2.721 20 0 FFADHO O=C(N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C12CCC[NH+]1CCC2 ZINC001183556176 1002305856 /nfs/dbraw/zinc/30/58/56/1002305856.db2.gz HOUWQTSGWWWBIV-UXHICEINSA-N 1 3 353.510 2.738 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050397 1002322419 /nfs/dbraw/zinc/32/24/19/1002322419.db2.gz UEDWVCLEZMYODT-KNQAVFIVSA-N 1 3 366.509 2.538 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050397 1002322428 /nfs/dbraw/zinc/32/24/28/1002322428.db2.gz UEDWVCLEZMYODT-KNQAVFIVSA-N 1 3 366.509 2.538 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cnn(-c2ccccc2)c1 ZINC000773069019 1002790058 /nfs/dbraw/zinc/79/00/58/1002790058.db2.gz MJUBPIARYKGPFI-ZLGUVYLKSA-N 1 3 354.498 2.901 20 0 FFADHO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1CCCC1 ZINC001273500202 1002884282 /nfs/dbraw/zinc/88/42/82/1002884282.db2.gz FOSWYMXKIZFSOE-MGNMYUMUSA-N 1 3 362.543 2.547 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092658491 1003362299 /nfs/dbraw/zinc/36/22/99/1003362299.db2.gz XIBKBLQTGWZOKL-DJIMGWMZSA-N 1 3 357.489 2.590 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092658491 1003362310 /nfs/dbraw/zinc/36/23/10/1003362310.db2.gz XIBKBLQTGWZOKL-DJIMGWMZSA-N 1 3 357.489 2.590 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001196711689 1003923399 /nfs/dbraw/zinc/92/33/99/1003923399.db2.gz JQFZPKVDCCTRMT-IBGZPJMESA-N 1 3 362.587 2.765 20 0 FFADHO C[C@@H]1CN(C[C@@H](O)CCOCc2ccccc2)CCN1c1cc[nH+]cc1 ZINC001197377671 1004202726 /nfs/dbraw/zinc/20/27/26/1004202726.db2.gz OUVLHZGDFHBXFI-NQIIRXRSSA-N 1 3 355.482 2.560 20 0 FFADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC001197629234 1004311009 /nfs/dbraw/zinc/31/10/09/1004311009.db2.gz YEWYGOJNWISNFL-QHAWAJNXSA-N 1 3 373.541 2.636 20 0 FFADHO Cn1cnc2ccnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c21 ZINC001170526231 1004607465 /nfs/dbraw/zinc/60/74/65/1004607465.db2.gz WPUIUYVPDUHTFV-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCCCF)c2ccccc2OC)CC[N@@H+]1C ZINC001198740408 1004718874 /nfs/dbraw/zinc/71/88/74/1004718874.db2.gz FJLJBVOICGWTJM-OKZBNKHCSA-N 1 3 365.493 2.532 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCCCF)c2ccccc2OC)CC[N@H+]1C ZINC001198740408 1004718878 /nfs/dbraw/zinc/71/88/78/1004718878.db2.gz FJLJBVOICGWTJM-OKZBNKHCSA-N 1 3 365.493 2.532 20 0 FFADHO O=c1[nH]c2ccccc2cc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001201954560 1005293024 /nfs/dbraw/zinc/29/30/24/1005293024.db2.gz QPDZNAAERMBCTR-FQEVSTJZSA-N 1 3 363.461 2.797 20 0 FFADHO O=c1[nH]c2ccccc2cc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001201954560 1005293028 /nfs/dbraw/zinc/29/30/28/1005293028.db2.gz QPDZNAAERMBCTR-FQEVSTJZSA-N 1 3 363.461 2.797 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC001086712180 1005967129 /nfs/dbraw/zinc/96/71/29/1005967129.db2.gz UBMDVKLCTIXEHN-SXLOBPIMSA-N 1 3 358.530 2.639 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000813877383 1006069089 /nfs/dbraw/zinc/06/90/89/1006069089.db2.gz ULQJNDFBNXVCGG-TVFCKZIOSA-N 1 3 369.550 2.578 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]21 ZINC001188107117 1006414264 /nfs/dbraw/zinc/41/42/64/1006414264.db2.gz HONFUOYCHWOPMN-RYQLBKOJSA-N 1 3 367.534 2.503 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21 ZINC001188107117 1006414270 /nfs/dbraw/zinc/41/42/70/1006414270.db2.gz HONFUOYCHWOPMN-RYQLBKOJSA-N 1 3 367.534 2.503 20 0 FFADHO COCCN(C(=O)c1ccc(C2CC[NH+](C)CC2)cc1)C1CCN(C)CC1 ZINC001188306349 1006526549 /nfs/dbraw/zinc/52/65/49/1006526549.db2.gz HKMYSPMTHGQDSO-UHFFFAOYSA-N 1 3 373.541 2.679 20 0 FFADHO CN(C)CCC[N@H+](C)CCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000853798732 1006539118 /nfs/dbraw/zinc/53/91/18/1006539118.db2.gz JOZVMCCNHLWMHT-UHFFFAOYSA-N 1 3 364.497 2.987 20 0 FFADHO CN(C)CCC[N@@H+](C)CCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000853798732 1006539126 /nfs/dbraw/zinc/53/91/26/1006539126.db2.gz JOZVMCCNHLWMHT-UHFFFAOYSA-N 1 3 364.497 2.987 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C/C=C/c3ccc(Cl)cc3)C[C@H]21 ZINC001189055654 1006874122 /nfs/dbraw/zinc/87/41/22/1006874122.db2.gz YNTNWGNDHCNAAY-HECAZONMSA-N 1 3 361.917 2.838 20 0 FFADHO C[NH2+]CCOc1cccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000884306316 1007364857 /nfs/dbraw/zinc/36/48/57/1007364857.db2.gz ASYFILMLPCHDEA-HXUWFJFHSA-N 1 3 367.493 2.631 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCc4cccnc43)CC2)CC1 ZINC000885385077 1007696754 /nfs/dbraw/zinc/69/67/54/1007696754.db2.gz JMQSMIIEIXFSAJ-FQEVSTJZSA-N 1 3 370.541 2.772 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNCc2nc(C)cs2)CC[N@@H+]1C ZINC001170878224 1007740522 /nfs/dbraw/zinc/74/05/22/1007740522.db2.gz LCGSYVPRJPTGOK-HYVNUMGLSA-N 1 3 366.575 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNCc2nc(C)cs2)CC[N@H+]1C ZINC001170878224 1007740526 /nfs/dbraw/zinc/74/05/26/1007740526.db2.gz LCGSYVPRJPTGOK-HYVNUMGLSA-N 1 3 366.575 2.946 20 0 FFADHO CC(C)COC(=O)N1CCC([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC1 ZINC000817983915 1007837556 /nfs/dbraw/zinc/83/75/56/1007837556.db2.gz LNPZBKRKIUZCFV-UHFFFAOYSA-N 1 3 363.546 2.987 20 0 FFADHO Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)on1 ZINC001086820152 1007898877 /nfs/dbraw/zinc/89/88/77/1007898877.db2.gz RMALVBHHHZSISW-YQVWRLOYSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)on1 ZINC001086820152 1007898888 /nfs/dbraw/zinc/89/88/88/1007898888.db2.gz RMALVBHHHZSISW-YQVWRLOYSA-N 1 3 362.518 2.620 20 0 FFADHO CC(C)N1CCN(Cc2ccc(-c3cnn(CC[NH+](C)C)c3)c(F)c2)CC1 ZINC001206379528 1032262221 /nfs/dbraw/zinc/26/22/21/1032262221.db2.gz QVLFLUMRJHBRPF-UHFFFAOYSA-N 1 3 373.520 2.777 20 0 FFADHO COc1ncc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001206387679 1032263793 /nfs/dbraw/zinc/26/37/93/1032263793.db2.gz XYXQTMYKEYQBMV-GOSISDBHSA-N 1 3 356.470 2.955 20 0 FFADHO COc1ncc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001206387679 1032263804 /nfs/dbraw/zinc/26/38/04/1032263804.db2.gz XYXQTMYKEYQBMV-GOSISDBHSA-N 1 3 356.470 2.955 20 0 FFADHO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000819121521 1008049016 /nfs/dbraw/zinc/04/90/16/1008049016.db2.gz MEYJOCGDNMNTHD-QFIPXVFZSA-N 1 3 354.494 2.775 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001178171681 1008911493 /nfs/dbraw/zinc/91/14/93/1008911493.db2.gz TVWSGMMRMSZKTI-RTBURBONSA-N 1 3 358.461 2.683 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc2c(s1)CCC2(C)C ZINC001206614749 1032366502 /nfs/dbraw/zinc/36/65/02/1032366502.db2.gz FJAQFYXQGJBTFT-ZDUSSCGKSA-N 1 3 367.563 2.760 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc2c(s1)CCC2(C)C ZINC001206614749 1032366514 /nfs/dbraw/zinc/36/65/14/1032366514.db2.gz FJAQFYXQGJBTFT-ZDUSSCGKSA-N 1 3 367.563 2.760 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CC2(O)CCCCC2)CC1 ZINC000887036732 1008990106 /nfs/dbraw/zinc/99/01/06/1008990106.db2.gz MVMFJEUVUHFECW-LJQANCHMSA-N 1 3 365.562 2.527 20 0 FFADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCC(C)(N3CCOCC3)CC2)cn1 ZINC001206697568 1032393110 /nfs/dbraw/zinc/39/31/10/1032393110.db2.gz YGOBBIBUVDQZCN-QEMIJWRASA-N 1 3 360.546 2.754 20 0 FFADHO C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934501 1009476264 /nfs/dbraw/zinc/47/62/64/1009476264.db2.gz CCXBOBAHWAGQDJ-CRAIPNDOSA-N 1 3 363.933 2.866 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C ZINC001093024639 1009637859 /nfs/dbraw/zinc/63/78/59/1009637859.db2.gz BNOBBCBEBUHYEQ-GGPKGHCWSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C ZINC001093024639 1009637866 /nfs/dbraw/zinc/63/78/66/1009637866.db2.gz BNOBBCBEBUHYEQ-GGPKGHCWSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1cc(N2CCN(C(=O)[C@H](C)N3CCCC3)CC2)c2ccccc2[nH+]1 ZINC001180580906 1009736334 /nfs/dbraw/zinc/73/63/34/1009736334.db2.gz VCZYNOXTNTVENR-KRWDZBQOSA-N 1 3 352.482 2.676 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194402 1010114220 /nfs/dbraw/zinc/11/42/20/1010114220.db2.gz YUMMXTUNRSLUPT-HZSPNIEDSA-N 1 3 355.935 2.537 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194402 1010114224 /nfs/dbraw/zinc/11/42/24/1010114224.db2.gz YUMMXTUNRSLUPT-HZSPNIEDSA-N 1 3 355.935 2.537 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093217783 1010158973 /nfs/dbraw/zinc/15/89/73/1010158973.db2.gz IWWDIIBQONSWHI-DYESRHJHSA-N 1 3 366.509 2.641 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093217783 1010158981 /nfs/dbraw/zinc/15/89/81/1010158981.db2.gz IWWDIIBQONSWHI-DYESRHJHSA-N 1 3 366.509 2.641 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001093225746 1010171345 /nfs/dbraw/zinc/17/13/45/1010171345.db2.gz RCKXNCUFRLJBPZ-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001093225746 1010171354 /nfs/dbraw/zinc/17/13/54/1010171354.db2.gz RCKXNCUFRLJBPZ-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cc(Cl)ccc1F ZINC001093673700 1010455955 /nfs/dbraw/zinc/45/59/55/1010455955.db2.gz UZHJZRQCWCYMHI-SIIHOXLZSA-N 1 3 367.896 2.757 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)n1 ZINC001093768150 1010539577 /nfs/dbraw/zinc/53/95/77/1010539577.db2.gz MFMDOBIGERLFAY-OIISXLGYSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)n1 ZINC001093768150 1010539588 /nfs/dbraw/zinc/53/95/88/1010539588.db2.gz MFMDOBIGERLFAY-OIISXLGYSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1ccc(F)cc1F ZINC001093821317 1010592505 /nfs/dbraw/zinc/59/25/05/1010592505.db2.gz ZKVDDGSIKMMURW-GDBMZVCRSA-N 1 3 365.468 2.633 20 0 FFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093824000 1010594987 /nfs/dbraw/zinc/59/49/87/1010594987.db2.gz CBYLZCZRJLDLLN-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001093824328 1010595482 /nfs/dbraw/zinc/59/54/82/1010595482.db2.gz QMQATYBBCNIXMG-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001093824396 1010597278 /nfs/dbraw/zinc/59/72/78/1010597278.db2.gz SUWSQGPRINFIDS-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)sc1C ZINC001093839249 1010609625 /nfs/dbraw/zinc/60/96/25/1010609625.db2.gz GNILBHXLEFNLMB-QBIMZIAESA-N 1 3 366.575 2.530 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)n2)[C@H](C)C1)N(C)C ZINC001093839809 1010610553 /nfs/dbraw/zinc/61/05/53/1010610553.db2.gz ZPPDTLMDNLPQJV-RKVPGOIHSA-N 1 3 366.937 2.505 20 0 FFADHO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000794834658 1010768388 /nfs/dbraw/zinc/76/83/88/1010768388.db2.gz HZMFLDWPVHIZRJ-FTWXPCQCSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)nc2)[C@H](C)C1)N(C)C ZINC001094020807 1010786702 /nfs/dbraw/zinc/78/67/02/1010786702.db2.gz DANLACXMZTWCCG-QGPMSJSTSA-N 1 3 366.937 2.505 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3cc4ccccc4o3)[C@H](C)C2)C1 ZINC001094042566 1010805429 /nfs/dbraw/zinc/80/54/29/1010805429.db2.gz XCTRVEGCBFXBQF-YQVWRLOYSA-N 1 3 369.509 2.959 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001094043880 1010805945 /nfs/dbraw/zinc/80/59/45/1010805945.db2.gz AYOTXHBEJCQYED-BRWVUGGUSA-N 1 3 371.516 2.838 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ns2)[C@H](C)C1 ZINC001094243299 1010984768 /nfs/dbraw/zinc/98/47/68/1010984768.db2.gz VUGZKXJWFXDJJB-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ccc(CN2CCO[C@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC000866558843 1011016678 /nfs/dbraw/zinc/01/66/78/1011016678.db2.gz WCQARUQDVYTDIL-JOCHJYFZSA-N 1 3 357.542 2.660 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cccnc2)CC3)CC[N@@H+]1C ZINC001094497414 1011158900 /nfs/dbraw/zinc/15/89/00/1011158900.db2.gz WNNWUCVZMOTRJW-LLMJNHHCSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cccnc2)CC3)CC[N@H+]1C ZINC001094497414 1011158902 /nfs/dbraw/zinc/15/89/02/1011158902.db2.gz WNNWUCVZMOTRJW-LLMJNHHCSA-N 1 3 370.541 2.673 20 0 FFADHO COC[C@@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@H]2COC)cc(OC)c1 ZINC000644995519 1011299764 /nfs/dbraw/zinc/29/97/64/1011299764.db2.gz CYGDLZMVDQKPER-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO COC[C@@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@H]2COC)cc(OC)c1 ZINC000644995519 1011299777 /nfs/dbraw/zinc/29/97/77/1011299777.db2.gz CYGDLZMVDQKPER-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO COC[C@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@H]2COC)cc(OC)c1 ZINC000644995518 1011299932 /nfs/dbraw/zinc/29/99/32/1011299932.db2.gz CYGDLZMVDQKPER-BGYRXZFFSA-N 1 3 362.514 2.917 20 0 FFADHO COC[C@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@H]2COC)cc(OC)c1 ZINC000644995518 1011299942 /nfs/dbraw/zinc/29/99/42/1011299942.db2.gz CYGDLZMVDQKPER-BGYRXZFFSA-N 1 3 362.514 2.917 20 0 FFADHO COC[C@H]1CCC[N@H+]1Cc1cc(CN2CCC[C@H]2COC)cc(OC)c1 ZINC000644995518 1011299954 /nfs/dbraw/zinc/29/99/54/1011299954.db2.gz CYGDLZMVDQKPER-BGYRXZFFSA-N 1 3 362.514 2.917 20 0 FFADHO COC[C@H]1CCC[N@@H+]1Cc1cc(CN2CCC[C@H]2COC)cc(OC)c1 ZINC000644995518 1011299966 /nfs/dbraw/zinc/29/99/66/1011299966.db2.gz CYGDLZMVDQKPER-BGYRXZFFSA-N 1 3 362.514 2.917 20 0 FFADHO CCCN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCN(C)C1 ZINC000645164811 1011366365 /nfs/dbraw/zinc/36/63/65/1011366365.db2.gz PYHJXLZZXRHYDX-HXUWFJFHSA-N 1 3 358.530 2.561 20 0 FFADHO CCCN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCN(C)C1 ZINC000645164811 1011366375 /nfs/dbraw/zinc/36/63/75/1011366375.db2.gz PYHJXLZZXRHYDX-HXUWFJFHSA-N 1 3 358.530 2.561 20 0 FFADHO CN1C(C)(C)CC([NH2+][C@@H](CN2C(=O)CCC2=O)C(C)(C)C)CC1(C)C ZINC001171629902 1011391389 /nfs/dbraw/zinc/39/13/89/1011391389.db2.gz ZEPPGOJIRPLWJC-HNNXBMFYSA-N 1 3 351.535 2.791 20 0 FFADHO C[NH+]1C(C)(C)CC(N[C@@H](CN2C(=O)CCC2=O)C(C)(C)C)CC1(C)C ZINC001171629902 1011391397 /nfs/dbraw/zinc/39/13/97/1011391397.db2.gz ZEPPGOJIRPLWJC-HNNXBMFYSA-N 1 3 351.535 2.791 20 0 FFADHO C[NH+]1C(C)(C)CC(n2cc(Br)ccc2=NCCN)CC1(C)C ZINC001171625551 1011410983 /nfs/dbraw/zinc/41/09/83/1011410983.db2.gz LGTFCVKAZAZDIE-UHFFFAOYSA-N 1 3 369.351 2.934 20 0 FFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1Cc1ccccc1 ZINC001171737955 1011469761 /nfs/dbraw/zinc/46/97/61/1011469761.db2.gz FFDMFEWWYZRXIG-QESAQDPVSA-N 1 3 357.542 2.882 20 0 FFADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CNCc2ccccc21 ZINC000645477147 1011497448 /nfs/dbraw/zinc/49/74/48/1011497448.db2.gz HXFAYYLYRXJGAU-JOCHJYFZSA-N 1 3 363.505 2.697 20 0 FFADHO CC1(C)C[C@@H]([NH2+]C2CN(c3ccncn3)C2)CCN1Cc1ccccc1 ZINC001171978018 1011572837 /nfs/dbraw/zinc/57/28/37/1011572837.db2.gz FGWYVRSDSSHAKR-SFHVURJKSA-N 1 3 351.498 2.698 20 0 FFADHO CC(=O)N1CCC2(C[NH+]([C@H]3CCN(Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171984514 1011574985 /nfs/dbraw/zinc/57/49/85/1011574985.db2.gz MMEKGAMACJITES-FQEVSTJZSA-N 1 3 355.526 2.984 20 0 FFADHO COC(=O)c1ccccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172127381 1011631366 /nfs/dbraw/zinc/63/13/66/1011631366.db2.gz IWJNIEABWFQKBX-PIIMJCKOSA-N 1 3 357.498 2.611 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2CCc1ccc(F)cc1Cl ZINC001276330318 1011766603 /nfs/dbraw/zinc/76/66/03/1011766603.db2.gz HUSPCJSEAWWIJK-QZTJIDSGSA-N 1 3 367.896 2.649 20 0 FFADHO CCOCC[C@@H](C)[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001172425249 1011792947 /nfs/dbraw/zinc/79/29/47/1011792947.db2.gz UPKHDQVMKMPAPT-LJQANCHMSA-N 1 3 361.530 2.811 20 0 FFADHO Cc1ccc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)c(F)c1 ZINC001275047621 1011858028 /nfs/dbraw/zinc/85/80/28/1011858028.db2.gz LVHIAENPTMFJLK-NRFANRHFSA-N 1 3 361.505 2.900 20 0 FFADHO CCCC[C@@H]1C[C@@H](N2CCN(CC[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172630427 1011905301 /nfs/dbraw/zinc/90/53/01/1011905301.db2.gz CMXZMVZGKFSXMW-ZWKOTPCHSA-N 1 3 368.566 2.521 20 0 FFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275092881 1011919535 /nfs/dbraw/zinc/91/95/35/1011919535.db2.gz FALZEEGSEIPOQO-UNMCSNQZSA-N 1 3 357.542 2.912 20 0 FFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275092881 1011919547 /nfs/dbraw/zinc/91/95/47/1011919547.db2.gz FALZEEGSEIPOQO-UNMCSNQZSA-N 1 3 357.542 2.912 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001172620671 1011925549 /nfs/dbraw/zinc/92/55/49/1011925549.db2.gz YZLXMKRKJPGZDV-VNTMZGSJSA-N 1 3 364.530 2.541 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001172620671 1011925558 /nfs/dbraw/zinc/92/55/58/1011925558.db2.gz YZLXMKRKJPGZDV-VNTMZGSJSA-N 1 3 364.530 2.541 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC3(CN(CCCC(F)(F)F)C3)CC2)C1 ZINC001275226749 1012102935 /nfs/dbraw/zinc/10/29/35/1012102935.db2.gz WQLNRRVJMJXISK-GASCZTMLSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870183691 1012243973 /nfs/dbraw/zinc/24/39/73/1012243973.db2.gz KNPOXEZBHHFVFN-ROUUACIJSA-N 1 3 355.526 2.865 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173134219 1012269680 /nfs/dbraw/zinc/26/96/80/1012269680.db2.gz GZDFYKDZOMRMEH-MBOZVWFJSA-N 1 3 361.555 2.681 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173134219 1012269694 /nfs/dbraw/zinc/26/96/94/1012269694.db2.gz GZDFYKDZOMRMEH-MBOZVWFJSA-N 1 3 361.555 2.681 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)c1 ZINC001275331845 1012316189 /nfs/dbraw/zinc/31/61/89/1012316189.db2.gz AHYCFXWOZDTPQE-OAQYLSRUSA-N 1 3 361.505 2.900 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCNC(C)(C)C1 ZINC000647084169 1012371329 /nfs/dbraw/zinc/37/13/29/1012371329.db2.gz WECQRJVCFICJQL-QGZVFWFLSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCNC(C)(C)C1 ZINC000647084169 1012371344 /nfs/dbraw/zinc/37/13/44/1012371344.db2.gz WECQRJVCFICJQL-QGZVFWFLSA-N 1 3 359.514 2.764 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000647974896 1012647776 /nfs/dbraw/zinc/64/77/76/1012647776.db2.gz ASIABHFNNQJPRU-BIQFSMEISA-N 1 3 359.558 2.783 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N[C@H]1CCCc2ccccc21 ZINC000647975182 1012651242 /nfs/dbraw/zinc/65/12/42/1012651242.db2.gz PBCXDRUBCDKLQX-DYXWJJEUSA-N 1 3 355.526 2.892 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000647976061 1012654287 /nfs/dbraw/zinc/65/42/87/1012654287.db2.gz JQDMHSNIRGUOFJ-URVUXULASA-N 1 3 355.526 2.966 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cccc(Cl)c3Cl)C2)C1=O ZINC001275655055 1012766179 /nfs/dbraw/zinc/76/61/79/1012766179.db2.gz YGFGHDOHDAYMCX-GOSISDBHSA-N 1 3 370.324 2.979 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3cc(F)cc(F)c3)CC2)C1=O ZINC001275670604 1012816816 /nfs/dbraw/zinc/81/68/16/1012816816.db2.gz XTNTYUFVVDLAPC-FQEVSTJZSA-N 1 3 365.468 2.731 20 0 FFADHO CCC[NH+](CCC)CCN1CCN([C@H]2CC[C@H](CC(=O)OCC)C2)CC1 ZINC001173659713 1012847704 /nfs/dbraw/zinc/84/77/04/1012847704.db2.gz YKQUTTFOHANZRG-PMACEKPBSA-N 1 3 367.578 2.848 20 0 FFADHO C[N@@H+]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC1(C)C ZINC001222025213 1032665959 /nfs/dbraw/zinc/66/59/59/1032665959.db2.gz HOYLMURBSJXPKJ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[N@H+]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC1(C)C ZINC001222025213 1032665969 /nfs/dbraw/zinc/66/59/69/1032665969.db2.gz HOYLMURBSJXPKJ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO c1cc(CN2CCC3(C2)CC[NH+]([C@@H]2CCC[C@H](n4ncnn4)C2)CC3)co1 ZINC001173760345 1012950507 /nfs/dbraw/zinc/95/05/07/1012950507.db2.gz IQQGFTNIJYGIOT-MOPGFXCFSA-N 1 3 370.501 2.738 20 0 FFADHO c1nnn([C@@H]2CCC[C@@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)C2)n1 ZINC001173765002 1012957075 /nfs/dbraw/zinc/95/70/75/1012957075.db2.gz CBTHAJLYZCLMMQ-WOJBJXKFSA-N 1 3 366.513 2.755 20 0 FFADHO C[NH+]1CCN(c2cc(-c3noc([C@H]4CCN4C4CCCC4)n3)ccn2)CC1 ZINC000924116494 1017135593 /nfs/dbraw/zinc/13/55/93/1017135593.db2.gz JQGSHEFMZKZLBN-QGZVFWFLSA-N 1 3 368.485 2.573 20 0 FFADHO COC1(OC)CC[C@@H]1[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000924615740 1017376340 /nfs/dbraw/zinc/37/63/40/1017376340.db2.gz YVMBVVBZIKZMBM-FQEVSTJZSA-N 1 3 361.530 2.638 20 0 FFADHO CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451158 1017589704 /nfs/dbraw/zinc/58/97/04/1017589704.db2.gz QCCWCMSOJZORGK-NJYVYQBISA-N 1 3 373.541 2.898 20 0 FFADHO CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451158 1017589714 /nfs/dbraw/zinc/58/97/14/1017589714.db2.gz QCCWCMSOJZORGK-NJYVYQBISA-N 1 3 373.541 2.898 20 0 FFADHO CC1(C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925547499 1017781327 /nfs/dbraw/zinc/78/13/27/1017781327.db2.gz VUMHTIJVQHCGCK-NZSAHSFTSA-N 1 3 359.489 2.797 20 0 FFADHO O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925570834 1017790869 /nfs/dbraw/zinc/79/08/69/1017790869.db2.gz GOAFUWYVSLXUKO-ROUUACIJSA-N 1 3 357.498 2.560 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)ncn1 ZINC000925619778 1017800473 /nfs/dbraw/zinc/80/04/73/1017800473.db2.gz AXJKBYZXGAOYRN-XUVXKRRUSA-N 1 3 357.546 2.766 20 0 FFADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)C2)ncn1 ZINC000925619778 1017800490 /nfs/dbraw/zinc/80/04/90/1017800490.db2.gz AXJKBYZXGAOYRN-XUVXKRRUSA-N 1 3 357.546 2.766 20 0 FFADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1F ZINC000925768982 1017845013 /nfs/dbraw/zinc/84/50/13/1017845013.db2.gz ADXNRPSZGGQGSW-MBOZVWFJSA-N 1 3 360.404 2.844 20 0 FFADHO COc1ccc([C@H](NCCN2CCC([NH3+])CC2)c2ccc(F)cc2)cc1 ZINC000925816232 1017857829 /nfs/dbraw/zinc/85/78/29/1017857829.db2.gz XEVAZILBYLBZSC-OAQYLSRUSA-N 1 3 357.473 2.936 20 0 FFADHO Cc1c([C@H](C)NCCCCCN2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000925847492 1017868105 /nfs/dbraw/zinc/86/81/05/1017868105.db2.gz YJSFEZZMLJVOLN-SFHVURJKSA-N 1 3 370.545 2.610 20 0 FFADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2c2ccccc2)C1 ZINC000680818445 1018195415 /nfs/dbraw/zinc/19/54/15/1018195415.db2.gz YHXFHMBITNBKQU-NHCUHLMSSA-N 1 3 373.541 2.687 20 0 FFADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2c2ccccc2)C1 ZINC000680818445 1018195422 /nfs/dbraw/zinc/19/54/22/1018195422.db2.gz YHXFHMBITNBKQU-NHCUHLMSSA-N 1 3 373.541 2.687 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4C[C@@H]5COC[C@@H]5O4)[C@@H]3C2)cc1 ZINC000926946133 1018302314 /nfs/dbraw/zinc/30/23/14/1018302314.db2.gz DKMOZFQKKJLTBZ-JVTHYKSUSA-N 1 3 356.510 2.681 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000777615298 1018351946 /nfs/dbraw/zinc/35/19/46/1018351946.db2.gz PZDSSEYIXYWVQJ-UGKGYDQZSA-N 1 3 374.573 2.987 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](Nc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000777615298 1018351959 /nfs/dbraw/zinc/35/19/59/1018351959.db2.gz PZDSSEYIXYWVQJ-UGKGYDQZSA-N 1 3 374.573 2.987 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000681182602 1018400949 /nfs/dbraw/zinc/40/09/49/1018400949.db2.gz MAVGWNXDDDNFRG-SFHVURJKSA-N 1 3 373.545 2.824 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cccc4nc(C)ccc34)C[C@@H]1C[NH2+]CCC2 ZINC001222141110 1032783072 /nfs/dbraw/zinc/78/30/72/1032783072.db2.gz FBXPRKAIFZSJJD-AVRDEDQJSA-N 1 3 367.493 2.908 20 0 FFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cncnc1)CC2 ZINC001137666393 1032802022 /nfs/dbraw/zinc/80/20/22/1032802022.db2.gz ZLCANERAPQWATI-QGZVFWFLSA-N 1 3 358.511 2.794 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccccn3)C3CC3)CC2)CC1 ZINC000928608055 1019040237 /nfs/dbraw/zinc/04/02/37/1019040237.db2.gz BSKLFZGKVBHAPZ-OAQYLSRUSA-N 1 3 370.541 2.845 20 0 FFADHO C[C@@H]1C[C@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000929607165 1019538955 /nfs/dbraw/zinc/53/89/55/1019538955.db2.gz VADLBGDVKIPDQX-XVAYZXCPSA-N 1 3 359.558 2.940 20 0 FFADHO COC[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000388099193 1019565750 /nfs/dbraw/zinc/56/57/50/1019565750.db2.gz DNNXBEDYPBUSQK-SQGPQFPESA-N 1 3 367.534 2.619 20 0 FFADHO COC[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000388099193 1019565762 /nfs/dbraw/zinc/56/57/62/1019565762.db2.gz DNNXBEDYPBUSQK-SQGPQFPESA-N 1 3 367.534 2.619 20 0 FFADHO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000389180401 1019641768 /nfs/dbraw/zinc/64/17/68/1019641768.db2.gz KSMULRHHLOWAOT-HXUWFJFHSA-N 1 3 355.438 2.882 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@@H]3CC[NH2+]CC(C)(C)C3)C2)cc(OC)c1 ZINC000902336111 1020109640 /nfs/dbraw/zinc/10/96/40/1020109640.db2.gz DTAKCDCDCDQFEM-QZTJIDSGSA-N 1 3 361.530 2.646 20 0 FFADHO O[C@@H](COc1ccc2cc[nH]c2c1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806526 1020195672 /nfs/dbraw/zinc/19/56/72/1020195672.db2.gz RWFQXFIQBPSLSB-LJQANCHMSA-N 1 3 366.465 2.515 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C/C=C\c2ccccc2)C3)CC[N@@H+]1C ZINC001072752183 1020301379 /nfs/dbraw/zinc/30/13/79/1020301379.db2.gz YERSJRKLNPYJHV-FBYVNHBUSA-N 1 3 353.510 2.574 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C/C=C\c2ccccc2)C3)CC[N@H+]1C ZINC001072752183 1020301390 /nfs/dbraw/zinc/30/13/90/1020301390.db2.gz YERSJRKLNPYJHV-FBYVNHBUSA-N 1 3 353.510 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C/C=C\c2ccccc2)C3)CC[N@@H+]1C ZINC001072752269 1020302077 /nfs/dbraw/zinc/30/20/77/1020302077.db2.gz BYAZSTYYUYJHHL-XJTQXBNASA-N 1 3 367.537 2.964 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C/C=C\c2ccccc2)C3)CC[N@H+]1C ZINC001072752269 1020302087 /nfs/dbraw/zinc/30/20/87/1020302087.db2.gz BYAZSTYYUYJHHL-XJTQXBNASA-N 1 3 367.537 2.964 20 0 FFADHO CC[NH+](CC)CCOc1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000900282969 1020329257 /nfs/dbraw/zinc/32/92/57/1020329257.db2.gz WKSJYHLMQHIARH-AWEZNQCLSA-N 1 3 373.375 2.784 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)c1 ZINC000900286645 1020331751 /nfs/dbraw/zinc/33/17/51/1020331751.db2.gz NFNFASRXHZICQN-FPOVZHCZSA-N 1 3 371.525 2.793 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)c1 ZINC000900286645 1020331762 /nfs/dbraw/zinc/33/17/62/1020331762.db2.gz NFNFASRXHZICQN-FPOVZHCZSA-N 1 3 371.525 2.793 20 0 FFADHO CN1CCN(c2cc(CN3CCC[C@]34CCC[NH2+]CC4)ccc2F)CC1 ZINC001222321593 1032893260 /nfs/dbraw/zinc/89/32/60/1032893260.db2.gz ZUFOMKCHXJVKMM-NRFANRHFSA-N 1 3 360.521 2.686 20 0 FFADHO COc1cc(C[C@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc(OC)c1 ZINC000903106108 1020680786 /nfs/dbraw/zinc/68/07/86/1020680786.db2.gz WWFROZVVEPJSMC-KOQQBVACSA-N 1 3 374.525 2.602 20 0 FFADHO COc1cc(C[C@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc(OC)c1 ZINC000903106108 1020680790 /nfs/dbraw/zinc/68/07/90/1020680790.db2.gz WWFROZVVEPJSMC-KOQQBVACSA-N 1 3 374.525 2.602 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C1CC1)C12CC[NH+](CC1)C2 ZINC001098225174 1020746560 /nfs/dbraw/zinc/74/65/60/1020746560.db2.gz XOFDUFBUQHGWAS-NRSPTQNISA-N 1 3 365.521 2.881 20 0 FFADHO CC(C)[C@H]1C[C@@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000933627999 1021053659 /nfs/dbraw/zinc/05/36/59/1021053659.db2.gz MRFOYYMGOLAHQM-RBUKOAKNSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C4CC4)cn3)CC2)CC1 ZINC000933966319 1021120947 /nfs/dbraw/zinc/12/09/47/1021120947.db2.gz MCVCTXBDRUFXFS-UHFFFAOYSA-N 1 3 357.502 2.639 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001098845066 1021229499 /nfs/dbraw/zinc/22/94/99/1021229499.db2.gz MWPYLGYIHOZANC-KHHDVDEJSA-N 1 3 370.541 2.509 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)n1 ZINC001098845066 1021229513 /nfs/dbraw/zinc/22/95/13/1021229513.db2.gz MWPYLGYIHOZANC-KHHDVDEJSA-N 1 3 370.541 2.509 20 0 FFADHO CCN1CCC[C@@H](C[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703637 1021366691 /nfs/dbraw/zinc/36/66/91/1021366691.db2.gz FSRICYCHTYSZTI-FXAWDEMLSA-N 1 3 357.502 2.740 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CN[C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703637 1021366707 /nfs/dbraw/zinc/36/67/07/1021366707.db2.gz FSRICYCHTYSZTI-FXAWDEMLSA-N 1 3 357.502 2.740 20 0 FFADHO CC[N@H+]1CCC[C@@H](CN[C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703637 1021366723 /nfs/dbraw/zinc/36/67/23/1021366723.db2.gz FSRICYCHTYSZTI-FXAWDEMLSA-N 1 3 357.502 2.740 20 0 FFADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCC(F)(F)F ZINC001116821082 1021436263 /nfs/dbraw/zinc/43/62/63/1021436263.db2.gz GIMBIMCYJKAQSI-QSPRXWTASA-N 1 3 369.431 2.839 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@@H+]1C ZINC001014504806 1021881103 /nfs/dbraw/zinc/88/11/03/1021881103.db2.gz XRXIGFGBRFHGAC-QHAWAJNXSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@H+]1C ZINC001014504806 1021881110 /nfs/dbraw/zinc/88/11/10/1021881110.db2.gz XRXIGFGBRFHGAC-QHAWAJNXSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1nc(C(C)C)ccc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018866055 1022356303 /nfs/dbraw/zinc/35/63/03/1022356303.db2.gz PQPSCDWMNAXBCX-NZSAHSFTSA-N 1 3 358.530 2.544 20 0 FFADHO Cc1nc(C(C)C)ccc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018866055 1022356321 /nfs/dbraw/zinc/35/63/21/1022356321.db2.gz PQPSCDWMNAXBCX-NZSAHSFTSA-N 1 3 358.530 2.544 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccnc2)C1 ZINC001099434488 1022519850 /nfs/dbraw/zinc/51/98/50/1022519850.db2.gz RLQMRDLXIPQNTO-ONTIZHBOSA-N 1 3 370.541 2.673 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)c1cccc(OC)c1 ZINC001119466649 1022789461 /nfs/dbraw/zinc/78/94/61/1022789461.db2.gz BHXVUKNPUSTOOV-XUVXKRRUSA-N 1 3 374.529 2.614 20 0 FFADHO CCC[N@@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)CC1CC1 ZINC000755256479 1023584441 /nfs/dbraw/zinc/58/44/41/1023584441.db2.gz AQFXSGDWGBNJKU-UHFFFAOYSA-N 1 3 358.530 2.889 20 0 FFADHO CCC[N@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)CC1CC1 ZINC000755256479 1023584451 /nfs/dbraw/zinc/58/44/51/1023584451.db2.gz AQFXSGDWGBNJKU-UHFFFAOYSA-N 1 3 358.530 2.889 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001222799329 1033162752 /nfs/dbraw/zinc/16/27/52/1033162752.db2.gz HEGOMSRKIPWCGN-AABGKKOBSA-N 1 3 361.505 2.789 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001222799329 1033162759 /nfs/dbraw/zinc/16/27/59/1033162759.db2.gz HEGOMSRKIPWCGN-AABGKKOBSA-N 1 3 361.505 2.789 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CNCC2 ZINC001122003860 1024256583 /nfs/dbraw/zinc/25/65/83/1024256583.db2.gz HRFNGAZWOYOQLT-KRWDZBQOSA-N 1 3 369.534 2.988 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CNCC2 ZINC001122003860 1024256599 /nfs/dbraw/zinc/25/65/99/1024256599.db2.gz HRFNGAZWOYOQLT-KRWDZBQOSA-N 1 3 369.534 2.988 20 0 FFADHO [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1)C1CCCC1 ZINC001122123118 1024360388 /nfs/dbraw/zinc/36/03/88/1024360388.db2.gz NTOOJILJLOHFOF-JXFKEZNVSA-N 1 3 371.525 2.928 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473315 1024838295 /nfs/dbraw/zinc/83/82/95/1024838295.db2.gz PRJMUXXUVRSWQQ-IRLDBZIGSA-N 1 3 370.541 2.546 20 0 FFADHO C[C@@]12CN(Cc3cccnc3)C[C@@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001101483990 1024862271 /nfs/dbraw/zinc/86/22/71/1024862271.db2.gz SUTUGUJNBNLHPA-IRLDBZIGSA-N 1 3 370.541 2.628 20 0 FFADHO CC[C@H](C(=O)N1CCO[C@@H]2CN(CCCC(C)(C)C)C[C@@H]21)[NH+](CC)CC ZINC001218623825 1033250437 /nfs/dbraw/zinc/25/04/37/1033250437.db2.gz IUQHSMLNDRGCCJ-CEXWTWQISA-N 1 3 367.578 2.845 20 0 FFADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n(-c2ccccc2F)n1 ZINC001218658706 1033265143 /nfs/dbraw/zinc/26/51/43/1033265143.db2.gz LERZNRFHYXFYLA-INIZCTEOSA-N 1 3 361.465 2.754 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1F ZINC001102045893 1025349801 /nfs/dbraw/zinc/34/98/01/1025349801.db2.gz BCKGOFYSDMVSTL-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1F ZINC001102045893 1025349815 /nfs/dbraw/zinc/34/98/15/1025349815.db2.gz BCKGOFYSDMVSTL-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046216 1025350433 /nfs/dbraw/zinc/35/04/33/1025350433.db2.gz SJUNUPRTEGNXLA-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046216 1025350447 /nfs/dbraw/zinc/35/04/47/1025350447.db2.gz SJUNUPRTEGNXLA-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047707 1025354207 /nfs/dbraw/zinc/35/42/07/1025354207.db2.gz QSLLTPUUBMILLW-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047707 1025354220 /nfs/dbraw/zinc/35/42/20/1025354220.db2.gz QSLLTPUUBMILLW-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048572 1025357049 /nfs/dbraw/zinc/35/70/49/1025357049.db2.gz GZUGKSMAWSMDPX-UIFIKXQLSA-N 1 3 357.542 2.644 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048572 1025357062 /nfs/dbraw/zinc/35/70/62/1025357062.db2.gz GZUGKSMAWSMDPX-UIFIKXQLSA-N 1 3 357.542 2.644 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1C)N(C)C ZINC001102088366 1025413072 /nfs/dbraw/zinc/41/30/72/1025413072.db2.gz UCMYBJRKMOEFSI-ATZDWAIDSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1C)N(C)C ZINC001102088366 1025413078 /nfs/dbraw/zinc/41/30/78/1025413078.db2.gz UCMYBJRKMOEFSI-ATZDWAIDSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1C)N(C)C ZINC001102086831 1025413446 /nfs/dbraw/zinc/41/34/46/1025413446.db2.gz AIIZGTKIKJOEEU-OZOXKJRCSA-N 1 3 368.525 2.759 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C)N(C)C ZINC001102086831 1025413453 /nfs/dbraw/zinc/41/34/53/1025413453.db2.gz AIIZGTKIKJOEEU-OZOXKJRCSA-N 1 3 368.525 2.759 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)cs1 ZINC001102330217 1025760109 /nfs/dbraw/zinc/76/01/09/1025760109.db2.gz JHMZHEPGUGKUMH-ZTFGCOKTSA-N 1 3 351.560 2.827 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)cs1 ZINC001102330217 1025760118 /nfs/dbraw/zinc/76/01/18/1025760118.db2.gz JHMZHEPGUGKUMH-ZTFGCOKTSA-N 1 3 351.560 2.827 20 0 FFADHO CC[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)N1CCc2ccccc2C1 ZINC000638332862 1025787318 /nfs/dbraw/zinc/78/73/18/1025787318.db2.gz LLUDDDAHIYDVJU-NRFANRHFSA-N 1 3 359.558 2.648 20 0 FFADHO CC[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)N1CCc2ccccc2C1 ZINC000638332865 1025788906 /nfs/dbraw/zinc/78/89/06/1025788906.db2.gz LLUDDDAHIYDVJU-OAQYLSRUSA-N 1 3 359.558 2.648 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366712 1025819849 /nfs/dbraw/zinc/81/98/49/1025819849.db2.gz OBQLVUGVOZKQCL-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366712 1025819865 /nfs/dbraw/zinc/81/98/65/1025819865.db2.gz OBQLVUGVOZKQCL-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]2C)C1 ZINC001102370132 1025831641 /nfs/dbraw/zinc/83/16/41/1025831641.db2.gz RXYSUGIUROWSPI-JBYIUTFZSA-N 1 3 369.553 2.701 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]2C)C1 ZINC001102370132 1025831658 /nfs/dbraw/zinc/83/16/58/1025831658.db2.gz RXYSUGIUROWSPI-JBYIUTFZSA-N 1 3 369.553 2.701 20 0 FFADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001102373096 1025838807 /nfs/dbraw/zinc/83/88/07/1025838807.db2.gz VKFWVWROVZHMHO-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001102373096 1025838827 /nfs/dbraw/zinc/83/88/27/1025838827.db2.gz VKFWVWROVZHMHO-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO [NH3+]Cc1cccc2c1N(C(=O)[C@H]1CCCN(Cc3cccnc3)C1)CCC2 ZINC000638544853 1025883836 /nfs/dbraw/zinc/88/38/36/1025883836.db2.gz MIHPDBWRYZUEHD-FQEVSTJZSA-N 1 3 364.493 2.732 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001102430182 1025959984 /nfs/dbraw/zinc/95/99/84/1025959984.db2.gz IADMQEDFOZFUMD-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001102430182 1025960000 /nfs/dbraw/zinc/96/00/00/1025960000.db2.gz IADMQEDFOZFUMD-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)c1nc(-c2ccccc2)no1 ZINC000638811543 1026029447 /nfs/dbraw/zinc/02/94/47/1026029447.db2.gz VTNWNNLCKBYINB-OAHLLOKOSA-N 1 3 358.486 2.665 20 0 FFADHO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)c2ccccc21 ZINC000639067631 1026153643 /nfs/dbraw/zinc/15/36/43/1026153643.db2.gz JYEXYKFUBUITAZ-MOPGFXCFSA-N 1 3 364.493 2.773 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C ZINC001102600460 1026400386 /nfs/dbraw/zinc/40/03/86/1026400386.db2.gz GOLLXUVEUBGXGY-UYAOXDASSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C ZINC001102600460 1026400391 /nfs/dbraw/zinc/40/03/91/1026400391.db2.gz GOLLXUVEUBGXGY-UYAOXDASSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102601007 1026400723 /nfs/dbraw/zinc/40/07/23/1026400723.db2.gz GSSGIIOVJLNDOH-WRWLIDTKSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102601007 1026400725 /nfs/dbraw/zinc/40/07/25/1026400725.db2.gz GSSGIIOVJLNDOH-WRWLIDTKSA-N 1 3 361.505 2.837 20 0 FFADHO C[C@]12COC[C@@H]1CN(CC(C[N@@H+]1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824632 1026487314 /nfs/dbraw/zinc/48/73/14/1026487314.db2.gz MRDHXWXADNIROP-MLCQCVOFSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@]12COC[C@@H]1CN(CC(C[N@H+]1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824632 1026487318 /nfs/dbraw/zinc/48/73/18/1026487318.db2.gz MRDHXWXADNIROP-MLCQCVOFSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@H]1CC[N@@H+](C[C@@H](CN2CC[C@H](C)[C@H](CO)C2)c2ccccc2)C[C@@H]1CO ZINC000639884110 1026501960 /nfs/dbraw/zinc/50/19/60/1026501960.db2.gz CHTKHHUFEVYWQT-CRAJWZQDSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CC[N@H+](C[C@@H](CN2CC[C@H](C)[C@H](CO)C2)c2ccccc2)C[C@@H]1CO ZINC000639884110 1026501969 /nfs/dbraw/zinc/50/19/69/1026501969.db2.gz CHTKHHUFEVYWQT-CRAJWZQDSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CCN(C[C@@H](C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c2ccccc2)C[C@@H]1CO ZINC000639884110 1026501976 /nfs/dbraw/zinc/50/19/76/1026501976.db2.gz CHTKHHUFEVYWQT-CRAJWZQDSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CCN(C[C@@H](C[N@H+]2CC[C@H](C)[C@H](CO)C2)c2ccccc2)C[C@@H]1CO ZINC000639884110 1026501981 /nfs/dbraw/zinc/50/19/81/1026501981.db2.gz CHTKHHUFEVYWQT-CRAJWZQDSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087636 1026949106 /nfs/dbraw/zinc/94/91/06/1026949106.db2.gz KDSIEAVKXRPXKZ-ZTNFWEORSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087636 1026949113 /nfs/dbraw/zinc/94/91/13/1026949113.db2.gz KDSIEAVKXRPXKZ-ZTNFWEORSA-N 1 3 361.505 2.740 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1C ZINC001103156676 1027011399 /nfs/dbraw/zinc/01/13/99/1027011399.db2.gz QHLHUMOQMWLVTK-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1C ZINC001103156676 1027011404 /nfs/dbraw/zinc/01/14/04/1027011404.db2.gz QHLHUMOQMWLVTK-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO CN1CCC(N(c2ccc(C(=O)OC(C)(C)C)cn2)C2CC[NH2+]CC2)CC1 ZINC001158580600 1027066583 /nfs/dbraw/zinc/06/65/83/1027066583.db2.gz GOTVJBMRVHGONE-UHFFFAOYSA-N 1 3 374.529 2.690 20 0 FFADHO CN1CCN(C2(c3ccc(Nc4cnc5c(c4)C[NH2+]CC5)cc3)CC2)CC1 ZINC001159139601 1027279952 /nfs/dbraw/zinc/27/99/52/1027279952.db2.gz FYDNEUCIZWMCCH-UHFFFAOYSA-N 1 3 363.509 2.707 20 0 FFADHO O=c1[nH]c2ccc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc2[nH]1 ZINC000641747844 1027289013 /nfs/dbraw/zinc/28/90/13/1027289013.db2.gz PLOWCSUNFNYKPT-SFHVURJKSA-N 1 3 366.465 2.515 20 0 FFADHO O=c1[nH]c2ccc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc2[nH]1 ZINC000641747844 1027289027 /nfs/dbraw/zinc/28/90/27/1027289027.db2.gz PLOWCSUNFNYKPT-SFHVURJKSA-N 1 3 366.465 2.515 20 0 FFADHO [NH3+]C/C=C/CNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000641869782 1027340402 /nfs/dbraw/zinc/34/04/02/1027340402.db2.gz GYAVDALLQANFJC-BQYQJAHWSA-N 1 3 356.514 2.732 20 0 FFADHO CN1CCN(Cc2cccc(Nc3cccc(N4CC[NH2+]CC4)c3)c2)CC1 ZINC001159661942 1027461296 /nfs/dbraw/zinc/46/12/96/1027461296.db2.gz LGMXTHBTSYGKLJ-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO O=C([C@@H]1C[C@H](c2ccccc2)CCN1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460945 1027716444 /nfs/dbraw/zinc/71/64/44/1027716444.db2.gz HQBDTCRQWUBAQG-HKBOAZHASA-N 1 3 355.526 2.999 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N(Cc1ccccn1)C1CCCCC1 ZINC001160715449 1027820476 /nfs/dbraw/zinc/82/04/76/1027820476.db2.gz FGSZPDSOLTUQJT-LJQANCHMSA-N 1 3 356.514 2.617 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N(Cc1ccccn1)C1CCCCC1 ZINC001160715449 1027820491 /nfs/dbraw/zinc/82/04/91/1027820491.db2.gz FGSZPDSOLTUQJT-LJQANCHMSA-N 1 3 356.514 2.617 20 0 FFADHO N[C@H](CC(=O)N1C[C@H]([NH3+])CC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC001160973409 1027953097 /nfs/dbraw/zinc/95/30/97/1027953097.db2.gz VCWJPKFWZUDYQZ-BXKDBHETSA-N 1 3 352.212 2.578 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000643379257 1027956513 /nfs/dbraw/zinc/95/65/13/1027956513.db2.gz RPHLZCRDKONEGD-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000643379257 1027956533 /nfs/dbraw/zinc/95/65/33/1027956533.db2.gz RPHLZCRDKONEGD-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001103677236 1027958288 /nfs/dbraw/zinc/95/82/88/1027958288.db2.gz RKBXOVJMYRYYSQ-VQIMIIECSA-N 1 3 354.498 2.843 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001103677236 1027958302 /nfs/dbraw/zinc/95/83/02/1027958302.db2.gz RKBXOVJMYRYYSQ-VQIMIIECSA-N 1 3 354.498 2.843 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C ZINC001103677191 1027959266 /nfs/dbraw/zinc/95/92/66/1027959266.db2.gz PIDJBYOZYONBMQ-VQIMIIECSA-N 1 3 354.498 2.843 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C ZINC001103677191 1027959273 /nfs/dbraw/zinc/95/92/73/1027959273.db2.gz PIDJBYOZYONBMQ-VQIMIIECSA-N 1 3 354.498 2.843 20 0 FFADHO C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)[C@H](N)CCC[NH3+] ZINC001160994116 1027959954 /nfs/dbraw/zinc/95/99/54/1027959954.db2.gz MJSDKNXTURBQBZ-NSISKUIASA-N 1 3 355.482 2.720 20 0 FFADHO CC(C)(C)CN(C(=O)c1csc([C@@H]2CCCN2)n1)C1CC[NH2+]CC1 ZINC001161261205 1028102094 /nfs/dbraw/zinc/10/20/94/1028102094.db2.gz BSNCNYYCYLUAGK-AWEZNQCLSA-N 1 3 350.532 2.808 20 0 FFADHO CCN(C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161332559 1028135310 /nfs/dbraw/zinc/13/53/10/1028135310.db2.gz OGHPRLFKURCBPB-NHCUHLMSSA-N 1 3 351.494 2.824 20 0 FFADHO C[NH2+]CCC(=O)N1CCC2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001161421871 1028163627 /nfs/dbraw/zinc/16/36/27/1028163627.db2.gz VQBMTSKVLWNDBZ-UHFFFAOYSA-N 1 3 363.505 2.920 20 0 FFADHO CN(C)CCN(C(=O)CCCc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC001161447491 1028179972 /nfs/dbraw/zinc/17/99/72/1028179972.db2.gz XRALBVHFGVHFJI-SFHVURJKSA-N 1 3 351.922 2.805 20 0 FFADHO Cc1sc(Br)cc1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161449977 1028180460 /nfs/dbraw/zinc/18/04/60/1028180460.db2.gz WZOWBHAEJVOCKL-LBPRGKRZSA-N 1 3 374.348 2.575 20 0 FFADHO Cc1ccc(F)c(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C)c1 ZINC001103999539 1028463729 /nfs/dbraw/zinc/46/37/29/1028463729.db2.gz BWJHFAFNWJMZKM-MBOZVWFJSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001155247115 1028645048 /nfs/dbraw/zinc/64/50/48/1028645048.db2.gz AHMFPVLKOKOYHW-LLVKDONJSA-N 1 3 356.861 2.956 20 0 FFADHO C[NH+](C)C[C@H](Nc1ncc2c(n1)CCNC2)C12CC3CC(CC(C3)C1)C2 ZINC001162814185 1028666690 /nfs/dbraw/zinc/66/66/90/1028666690.db2.gz KRFUZXDGYGCKOU-IXYLRAAXSA-N 1 3 355.530 2.681 20 0 FFADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ccc(CN3CCCC3)cn2)C1 ZINC001165106546 1029392304 /nfs/dbraw/zinc/39/23/04/1029392304.db2.gz WNGCJHCTYJSJAN-INIZCTEOSA-N 1 3 371.554 2.866 20 0 FFADHO Cc1ccc(-c2nc3ccccc3c(NC(=N)NCCCC[NH3+])n2)s1 ZINC001157099654 1029465881 /nfs/dbraw/zinc/46/58/81/1029465881.db2.gz RWLUYNNZBABCOR-UHFFFAOYSA-N 1 3 354.483 2.764 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2c(Cl)cccc2OC)CC[N@@H+]1C ZINC001158403907 1029820392 /nfs/dbraw/zinc/82/03/92/1029820392.db2.gz MROXZBKGANNKHB-WMLDXEAASA-N 1 3 367.921 2.675 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2c(Cl)cccc2OC)CC[N@H+]1C ZINC001158403907 1029820400 /nfs/dbraw/zinc/82/04/00/1029820400.db2.gz MROXZBKGANNKHB-WMLDXEAASA-N 1 3 367.921 2.675 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@@H](C)c2cc(F)ccc2F)CC[N@@H+]1C ZINC001158411567 1029823378 /nfs/dbraw/zinc/82/33/78/1029823378.db2.gz FZIGZRBNWHXYFQ-DHSIGJKJSA-N 1 3 353.457 2.852 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@@H](C)c2cc(F)ccc2F)CC[N@H+]1C ZINC001158411567 1029823383 /nfs/dbraw/zinc/82/33/83/1029823383.db2.gz FZIGZRBNWHXYFQ-DHSIGJKJSA-N 1 3 353.457 2.852 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001165201651 1029888522 /nfs/dbraw/zinc/88/85/22/1029888522.db2.gz IOOYVUXLDMKAEP-RBUKOAKNSA-N 1 3 365.525 2.590 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000840835052 1029889877 /nfs/dbraw/zinc/88/98/77/1029889877.db2.gz VFDZAPFBUHGVST-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100389 1030004962 /nfs/dbraw/zinc/00/49/62/1030004962.db2.gz BCNNXHKLMLPALB-BZUAXINKSA-N 1 3 361.452 2.804 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100389 1030004968 /nfs/dbraw/zinc/00/49/68/1030004968.db2.gz BCNNXHKLMLPALB-BZUAXINKSA-N 1 3 361.452 2.804 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112117954 1030043987 /nfs/dbraw/zinc/04/39/87/1030043987.db2.gz LANUHLFKQYOCEY-OJZIMDSRSA-N 1 3 363.468 2.908 20 0 FFADHO CCOCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000783491121 1030121011 /nfs/dbraw/zinc/12/10/11/1030121011.db2.gz NWJAKUGDTDPDHX-GHTZIAJQSA-N 1 3 361.530 2.517 20 0 FFADHO CCOCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000783491121 1030121022 /nfs/dbraw/zinc/12/10/22/1030121022.db2.gz NWJAKUGDTDPDHX-GHTZIAJQSA-N 1 3 361.530 2.517 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166314 1030131625 /nfs/dbraw/zinc/13/16/25/1030131625.db2.gz ODRSRKVFJKIWTF-LDUWWUQZSA-N 1 3 361.452 2.806 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841283598 1030156267 /nfs/dbraw/zinc/15/62/67/1030156267.db2.gz ZHGUDVHOJOTSNZ-OXJNMPFZSA-N 1 3 368.481 2.666 20 0 FFADHO CN1CCCC[C@H]1c1ccc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)nc1 ZINC001166464060 1030413523 /nfs/dbraw/zinc/41/35/23/1030413523.db2.gz ZKZQIODYFJUEDM-SFHVURJKSA-N 1 3 374.510 2.795 20 0 FFADHO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699666324 1030709297 /nfs/dbraw/zinc/70/92/97/1030709297.db2.gz RQEWLCXYRGEDCL-GDBMZVCRSA-N 1 3 369.550 2.910 20 0 FFADHO COc1ccc2c(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cc(=O)oc2c1 ZINC000842478828 1030755252 /nfs/dbraw/zinc/75/52/52/1030755252.db2.gz LGEYWLHLNFBNAE-LPHOPBHVSA-N 1 3 372.465 2.520 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cccs2)C1)N(C)C ZINC001112425277 1030789110 /nfs/dbraw/zinc/78/91/10/1030789110.db2.gz FZOQODMOELZZAI-HQRMLTQVSA-N 1 3 363.571 2.849 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccns2)C1 ZINC001112437102 1030807506 /nfs/dbraw/zinc/80/75/06/1030807506.db2.gz XQOSILMBIHOZNL-KXBFYZLASA-N 1 3 364.559 2.592 20 0 FFADHO CCCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N(C)CC)C2 ZINC001112439005 1030811247 /nfs/dbraw/zinc/81/12/47/1030811247.db2.gz NDKBDURQJUCQGD-RXVVDRJESA-N 1 3 367.578 2.752 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000796693666 1030884836 /nfs/dbraw/zinc/88/48/36/1030884836.db2.gz IFPYSJBQTKBMKE-BRSBDYLESA-N 1 3 369.550 2.626 20 0 FFADHO C[N@@H+]1C[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000842767161 1030948235 /nfs/dbraw/zinc/94/82/35/1030948235.db2.gz YISSMPARQJRYHF-QYZOEREBSA-N 1 3 359.514 2.931 20 0 FFADHO C[N@H+]1C[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000842767161 1030948254 /nfs/dbraw/zinc/94/82/54/1030948254.db2.gz YISSMPARQJRYHF-QYZOEREBSA-N 1 3 359.514 2.931 20 0 FFADHO CCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCN1CC=CCC1 ZINC001546478900 1069702191 /nfs/dbraw/zinc/70/21/91/1069702191.db2.gz UNCAYDHAFKQLIV-UHFFFAOYSA-N 1 3 372.561 2.557 20 0 FFADHO CCc1ccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001204176819 1031148067 /nfs/dbraw/zinc/14/80/67/1031148067.db2.gz VPKDZUQNBXKEPY-UHFFFAOYSA-N 1 3 353.510 2.573 20 0 FFADHO CCc1ccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001204176819 1031148072 /nfs/dbraw/zinc/14/80/72/1031148072.db2.gz VPKDZUQNBXKEPY-UHFFFAOYSA-N 1 3 353.510 2.573 20 0 FFADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC(=O)C1CC1 ZINC000843045847 1031156705 /nfs/dbraw/zinc/15/67/05/1031156705.db2.gz LAFOWEKGMAIOQN-SFHVURJKSA-N 1 3 358.482 2.975 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC3(CCCC(=O)N3)CC2)cc1 ZINC001204266109 1031194576 /nfs/dbraw/zinc/19/45/76/1031194576.db2.gz SOHOGIWTGOMTLN-UHFFFAOYSA-N 1 3 359.514 2.652 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1 ZINC001204270232 1031196922 /nfs/dbraw/zinc/19/69/22/1031196922.db2.gz RHZSPRUWTPIZPD-UHFFFAOYSA-N 1 3 373.541 2.994 20 0 FFADHO C[NH+](C)CCOc1ccccc1-c1noc([C@H]2CNCc3ccccc32)n1 ZINC000843187811 1031231627 /nfs/dbraw/zinc/23/16/27/1031231627.db2.gz VBAYVBGQUKJFQQ-SFHVURJKSA-N 1 3 364.449 2.912 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000843358540 1031351285 /nfs/dbraw/zinc/35/12/85/1031351285.db2.gz VKRNODBXAJAKHV-CMOCDZPBSA-N 1 3 354.494 2.505 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000843358540 1031351303 /nfs/dbraw/zinc/35/13/03/1031351303.db2.gz VKRNODBXAJAKHV-CMOCDZPBSA-N 1 3 354.494 2.505 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000843358540 1031351321 /nfs/dbraw/zinc/35/13/21/1031351321.db2.gz VKRNODBXAJAKHV-CMOCDZPBSA-N 1 3 354.494 2.505 20 0 FFADHO CN(CCCOc1ccccc1)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179048 1031684566 /nfs/dbraw/zinc/68/45/66/1031684566.db2.gz ACGUGAKMRQPIQW-UHFFFAOYSA-N 1 3 373.541 2.722 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001150485690 1031726429 /nfs/dbraw/zinc/72/64/29/1031726429.db2.gz KACMRBCOLDFVKE-UHFFFAOYSA-N 1 3 373.541 2.508 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cccc(F)c1 ZINC001205439855 1031746831 /nfs/dbraw/zinc/74/68/31/1031746831.db2.gz OALCDLWUUPPEIM-MDASCCDHSA-N 1 3 358.461 2.722 20 0 FFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218714350 1033297841 /nfs/dbraw/zinc/29/78/41/1033297841.db2.gz XUKIIMINHMLUJD-RDJZCZTQSA-N 1 3 366.465 2.846 20 0 FFADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218714348 1033297919 /nfs/dbraw/zinc/29/79/19/1033297919.db2.gz XUKIIMINHMLUJD-NVXWUHKLSA-N 1 3 366.465 2.846 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc2cc(Br)cc(F)c2cn1 ZINC001218720782 1033304729 /nfs/dbraw/zinc/30/47/29/1033304729.db2.gz XCHYQRSWFRBORU-ZDUSSCGKSA-N 1 3 369.238 2.531 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(CCc3ccccc3Cl)[C@H]2C1 ZINC001223425619 1033441246 /nfs/dbraw/zinc/44/12/46/1033441246.db2.gz YWKRIAIQRUDDNJ-MJGOQNOKSA-N 1 3 363.933 2.757 20 0 FFADHO [NH3+][C@@H](CSc1ccccc1)CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219028260 1033475033 /nfs/dbraw/zinc/47/50/33/1033475033.db2.gz WUQFQDUANPPZSF-OAHLLOKOSA-N 1 3 357.479 2.617 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC001219052164 1033490276 /nfs/dbraw/zinc/49/02/76/1033490276.db2.gz IVFLGNJBWNMBCW-JVRGAZCGSA-N 1 3 371.525 2.630 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(F)c(OCC2CC2)c(F)c1 ZINC001219323243 1033599809 /nfs/dbraw/zinc/59/98/09/1033599809.db2.gz AZILINPGVFWBRZ-INIZCTEOSA-N 1 3 355.429 2.751 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001223946777 1033653778 /nfs/dbraw/zinc/65/37/78/1033653778.db2.gz IUWJEQJHRRSSII-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccnc3C)[C@H]2C1 ZINC001223961967 1033660420 /nfs/dbraw/zinc/66/04/20/1033660420.db2.gz CMTVOMPEEVBUPN-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccnc3C)[C@H]2C1 ZINC001223961967 1033660431 /nfs/dbraw/zinc/66/04/31/1033660431.db2.gz CMTVOMPEEVBUPN-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc2)n1 ZINC001220081596 1033974248 /nfs/dbraw/zinc/97/42/48/1033974248.db2.gz KWVYASLXOQRORE-FQEVSTJZSA-N 1 3 371.529 2.601 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001220161532 1034015676 /nfs/dbraw/zinc/01/56/76/1034015676.db2.gz CYFYEUVHHDNCPO-KNKQGSTJSA-N 1 3 357.542 2.892 20 0 FFADHO CN[C@@H](COCc1ccccc1)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220510392 1034229603 /nfs/dbraw/zinc/22/96/03/1034229603.db2.gz FHOXZEBEFPAACF-SFHVURJKSA-N 1 3 361.530 2.559 20 0 FFADHO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220769207 1034388477 /nfs/dbraw/zinc/38/84/77/1034388477.db2.gz KUDXFGZFFPCGNX-FXAWDEMLSA-N 1 3 356.514 2.712 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001221021881 1034502078 /nfs/dbraw/zinc/50/20/78/1034502078.db2.gz QMGNBOORRZMOAR-HOTGVXAUSA-N 1 3 372.435 2.727 20 0 FFADHO CN[C@@H](COCc1ccccc1)C(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187825 1034595274 /nfs/dbraw/zinc/59/52/74/1034595274.db2.gz HAZQQENRIIGKQC-UFYCRDLUSA-N 1 3 361.530 2.546 20 0 FFADHO N[C@H](C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001221195777 1034598551 /nfs/dbraw/zinc/59/85/51/1034598551.db2.gz HPQRKICZIBVCPY-RBUKOAKNSA-N 1 3 357.885 2.873 20 0 FFADHO N[C@@H](C(=O)NC1(c2ccc(F)cc2)CCC(F)(F)CC1)C1CC[NH2+]CC1 ZINC001221216637 1034605893 /nfs/dbraw/zinc/60/58/93/1034605893.db2.gz FTNRMDFVZPOWDD-MRXNPFEDSA-N 1 3 369.431 2.673 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(N(C)C)CCC2)s1 ZINC001226783291 1034838601 /nfs/dbraw/zinc/83/86/01/1034838601.db2.gz WHISILJOXPKDGR-HZPDHXFCSA-N 1 3 364.559 2.761 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(Cl)n2)CCC1 ZINC001226783399 1034839299 /nfs/dbraw/zinc/83/92/99/1034839299.db2.gz YTWFDPTYHRIFLP-HZPDHXFCSA-N 1 3 364.921 2.736 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)cc1F ZINC001226800521 1034846095 /nfs/dbraw/zinc/84/60/95/1034846095.db2.gz LKMCVMAFIYRALM-VAMGGRTRSA-N 1 3 361.505 2.991 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCc3cccs3)C[C@H]21 ZINC001221587923 1034901488 /nfs/dbraw/zinc/90/14/88/1034901488.db2.gz NJXMSPGPHCIOEO-KBAYOESNSA-N 1 3 367.534 2.503 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCc3cccs3)C[C@H]21 ZINC001221587923 1034901494 /nfs/dbraw/zinc/90/14/94/1034901494.db2.gz NJXMSPGPHCIOEO-KBAYOESNSA-N 1 3 367.534 2.503 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OC)cc1)N(C)C ZINC001227038438 1034917361 /nfs/dbraw/zinc/91/73/61/1034917361.db2.gz ATFFXWZAGIDONK-VAMGGRTRSA-N 1 3 361.530 2.595 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1OC)N(C)C ZINC001227039613 1034917985 /nfs/dbraw/zinc/91/79/85/1034917985.db2.gz XYCIHQLQHQBURJ-GUDVDZBRSA-N 1 3 361.530 2.861 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1)N(C)C ZINC001227056324 1034922507 /nfs/dbraw/zinc/92/25/07/1034922507.db2.gz FYDSWLIWOLDTQG-GUDVDZBRSA-N 1 3 367.484 2.865 20 0 FFADHO C[C@@H]1COCC[C@H]1Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165499 1034957650 /nfs/dbraw/zinc/95/76/50/1034957650.db2.gz SVFWZKPCMXAIES-OXQOHEQNSA-N 1 3 363.546 2.675 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc4cc(O)ccc4c3)CC[C@@H]2C1 ZINC001139334933 1035062792 /nfs/dbraw/zinc/06/27/92/1035062792.db2.gz FIRSKKREKROULT-IFMALSPDSA-N 1 3 370.493 2.715 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc4cc(O)ccc4c3)CC[C@@H]2C1 ZINC001139334933 1035062795 /nfs/dbraw/zinc/06/27/95/1035062795.db2.gz FIRSKKREKROULT-IFMALSPDSA-N 1 3 370.493 2.715 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21)[NH+]1CCCCCC1 ZINC001221848632 1035111387 /nfs/dbraw/zinc/11/13/87/1035111387.db2.gz YGOSXVZGDRVOCX-IPMKNSEASA-N 1 3 353.526 2.923 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21)N1CCCCCC1 ZINC001221848632 1035111392 /nfs/dbraw/zinc/11/13/92/1035111392.db2.gz YGOSXVZGDRVOCX-IPMKNSEASA-N 1 3 353.526 2.923 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21)N1CCCCCC1 ZINC001221848632 1035111397 /nfs/dbraw/zinc/11/13/97/1035111397.db2.gz YGOSXVZGDRVOCX-IPMKNSEASA-N 1 3 353.526 2.923 20 0 FFADHO COc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1OCC1CC1 ZINC001140489777 1035493505 /nfs/dbraw/zinc/49/35/05/1035493505.db2.gz YLDAVTOZHTWCDN-VQTJNVASSA-N 1 3 373.541 2.694 20 0 FFADHO COc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1OCC1CC1 ZINC001140489777 1035493507 /nfs/dbraw/zinc/49/35/07/1035493507.db2.gz YLDAVTOZHTWCDN-VQTJNVASSA-N 1 3 373.541 2.694 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccn3Cc3ccccc3)CC2)CC1 ZINC001232234623 1035509022 /nfs/dbraw/zinc/50/90/22/1035509022.db2.gz BYHJTAFYNJUTMZ-UHFFFAOYSA-N 1 3 366.553 2.996 20 0 FFADHO Cc1nc(N)ccc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001232338961 1035604296 /nfs/dbraw/zinc/60/42/96/1035604296.db2.gz MSGMQXVBSDXODG-UHFFFAOYSA-N 1 3 351.498 2.855 20 0 FFADHO Cc1nc(N)ccc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001232338961 1035604298 /nfs/dbraw/zinc/60/42/98/1035604298.db2.gz MSGMQXVBSDXODG-UHFFFAOYSA-N 1 3 351.498 2.855 20 0 FFADHO C[NH+]1CCN(c2ccc(CN3CC[C@@](CF)(C(F)(F)F)C3)cn2)CC1 ZINC001232360561 1035622784 /nfs/dbraw/zinc/62/27/84/1035622784.db2.gz JTIOXQQCEUBLPL-INIZCTEOSA-N 1 3 360.399 2.557 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1)N1CCCC1 ZINC001227899608 1035794457 /nfs/dbraw/zinc/79/44/57/1035794457.db2.gz ADKKNXHFWMHAHH-RTBURBONSA-N 1 3 365.562 2.695 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001228424621 1036105525 /nfs/dbraw/zinc/10/55/25/1036105525.db2.gz VCELDPKEPHKIOK-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001228424621 1036105530 /nfs/dbraw/zinc/10/55/30/1036105530.db2.gz VCELDPKEPHKIOK-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CCc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001228445376 1036119502 /nfs/dbraw/zinc/11/95/02/1036119502.db2.gz PFRIXCDXHPNCLE-GPMSIDNRSA-N 1 3 364.534 2.649 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1)[NH+](CC)CC ZINC001228559412 1036179183 /nfs/dbraw/zinc/17/91/83/1036179183.db2.gz RREFXEOQAVUVNQ-ZACQAIPSSA-N 1 3 352.548 2.781 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1C)N(C)C ZINC001228661452 1036240096 /nfs/dbraw/zinc/24/00/96/1036240096.db2.gz UWAIJEHKDOLQAJ-QRVBRYPASA-N 1 3 361.530 2.861 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001228932607 1036415841 /nfs/dbraw/zinc/41/58/41/1036415841.db2.gz RWWWWRZBIIWVLP-IPMKNSEASA-N 1 3 353.551 2.695 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001229173791 1036533879 /nfs/dbraw/zinc/53/38/79/1036533879.db2.gz IAAWCJIDEVBEFX-GUDVDZBRSA-N 1 3 353.551 2.552 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1OC)N(C)C ZINC001229746256 1036865281 /nfs/dbraw/zinc/86/52/81/1036865281.db2.gz IZBAMSZVELFASC-KURKYZTESA-N 1 3 365.493 2.692 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCCCc2ccccc2)CC[N@@H+]1C ZINC001234402163 1037022045 /nfs/dbraw/zinc/02/20/45/1037022045.db2.gz IZLYTVKEZBATHP-HMXCVIKNSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCCCc2ccccc2)CC[N@H+]1C ZINC001234402163 1037022067 /nfs/dbraw/zinc/02/20/67/1037022067.db2.gz IZLYTVKEZBATHP-HMXCVIKNSA-N 1 3 357.542 2.882 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001230257211 1037179856 /nfs/dbraw/zinc/17/98/56/1037179856.db2.gz MNXHBODCPYUEGC-RTBURBONSA-N 1 3 362.493 2.614 20 0 FFADHO CN(C)CC(C)(C)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccn3)CO2)CC1 ZINC001207280375 1037306960 /nfs/dbraw/zinc/30/69/60/1037306960.db2.gz QGNARQVCMAPAIY-HXUWFJFHSA-N 1 3 374.573 2.725 20 0 FFADHO Cn1c2ccccc2n(C2CCN(CCC3CC[NH+](C)CC3)CC2)c1=O ZINC001207484959 1037484831 /nfs/dbraw/zinc/48/48/31/1037484831.db2.gz PGSQECKMAOLTEY-UHFFFAOYSA-N 1 3 356.514 2.709 20 0 FFADHO CCCc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001207550919 1037542306 /nfs/dbraw/zinc/54/23/06/1037542306.db2.gz NMKGHXPQKASAEY-MAODMQOUSA-N 1 3 357.542 2.916 20 0 FFADHO CCCc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001207550919 1037542319 /nfs/dbraw/zinc/54/23/19/1037542319.db2.gz NMKGHXPQKASAEY-MAODMQOUSA-N 1 3 357.542 2.916 20 0 FFADHO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CCCc3cccc(Cl)c3)CC[C@@H]21 ZINC001207589121 1037580341 /nfs/dbraw/zinc/58/03/41/1037580341.db2.gz FAAONQMXQDILSG-HOJAQTOUSA-N 1 3 373.932 2.959 20 0 FFADHO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CCCc3cccc(Cl)c3)CC[C@@H]21 ZINC001207589121 1037580358 /nfs/dbraw/zinc/58/03/58/1037580358.db2.gz FAAONQMXQDILSG-HOJAQTOUSA-N 1 3 373.932 2.959 20 0 FFADHO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207624597 1037612606 /nfs/dbraw/zinc/61/26/06/1037612606.db2.gz FRLGRLOGNHOPEM-KSZLIROESA-N 1 3 356.514 2.503 20 0 FFADHO Cc1ncn(C)c1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235544480 1037619104 /nfs/dbraw/zinc/61/91/04/1037619104.db2.gz WQMUMGVVEDGNEW-HXUWFJFHSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1ncn(C)c1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235544480 1037619109 /nfs/dbraw/zinc/61/91/09/1037619109.db2.gz WQMUMGVVEDGNEW-HXUWFJFHSA-N 1 3 368.525 2.984 20 0 FFADHO CN1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1c1ccccc1 ZINC001235672968 1037674117 /nfs/dbraw/zinc/67/41/17/1037674117.db2.gz JXJACDAUZFSDTD-QFIPXVFZSA-N 1 3 350.510 2.585 20 0 FFADHO FC(F)(F)Oc1ccc(OC2CC[NH+](CC[C@@H]3CNCCO3)CC2)cc1 ZINC001235676278 1037676635 /nfs/dbraw/zinc/67/66/35/1037676635.db2.gz ZNBBTZCEDONLHL-QGZVFWFLSA-N 1 3 374.403 2.807 20 0 FFADHO FC(F)(F)c1ccccc1OC1CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC001235675130 1037677634 /nfs/dbraw/zinc/67/76/34/1037677634.db2.gz OWUIQJUAXPGYOH-HNNXBMFYSA-N 1 3 358.404 2.927 20 0 FFADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207849231 1037784113 /nfs/dbraw/zinc/78/41/13/1037784113.db2.gz CGISXRHMECWYFV-PMACEKPBSA-N 1 3 359.514 2.564 20 0 FFADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207926873 1037856428 /nfs/dbraw/zinc/85/64/28/1037856428.db2.gz HDPCHHLSZDWJEO-UXHICEINSA-N 1 3 374.525 2.893 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3c[nH]c4ccc(OCC)cc34)C[C@H]1CNCC2 ZINC001236039433 1037898817 /nfs/dbraw/zinc/89/88/17/1037898817.db2.gz UAJKQXBAIDXBQC-IIBYNOLFSA-N 1 3 371.481 2.541 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3c[nH]c4ccc(OCC)cc34)C[C@H]1CNCC2 ZINC001236039433 1037898834 /nfs/dbraw/zinc/89/88/34/1037898834.db2.gz UAJKQXBAIDXBQC-IIBYNOLFSA-N 1 3 371.481 2.541 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001255486830 1037969738 /nfs/dbraw/zinc/96/97/38/1037969738.db2.gz XIULVGHTZHXEML-RTBURBONSA-N 1 3 364.484 2.709 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001255486830 1037969743 /nfs/dbraw/zinc/96/97/43/1037969743.db2.gz XIULVGHTZHXEML-RTBURBONSA-N 1 3 364.484 2.709 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1 ZINC001236321393 1038044233 /nfs/dbraw/zinc/04/42/33/1038044233.db2.gz QNFPLNMHOFCOCW-WNUVYJMLSA-N 1 3 350.409 2.582 20 0 FFADHO Ic1sccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322387 1038045927 /nfs/dbraw/zinc/04/59/27/1038045927.db2.gz VCNCZZYGYRHJDD-PHIMTYICSA-N 1 3 362.280 2.784 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128832 1038061876 /nfs/dbraw/zinc/06/18/76/1038061876.db2.gz JCOUWUNKTPYUOS-UYAOXDASSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128832 1038061899 /nfs/dbraw/zinc/06/18/99/1038061899.db2.gz JCOUWUNKTPYUOS-UYAOXDASSA-N 1 3 367.578 2.894 20 0 FFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001232012971 1038105260 /nfs/dbraw/zinc/10/52/60/1038105260.db2.gz BZWXIAZRICACSL-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001232012971 1038105267 /nfs/dbraw/zinc/10/52/67/1038105267.db2.gz BZWXIAZRICACSL-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc3cnccc3[nH]1)C2 ZINC001232012971 1038105274 /nfs/dbraw/zinc/10/52/74/1038105274.db2.gz BZWXIAZRICACSL-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc3cnccc3[nH]1)C2 ZINC001232012971 1038105285 /nfs/dbraw/zinc/10/52/85/1038105285.db2.gz BZWXIAZRICACSL-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO C[NH+](C)CC1(CN2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCCC1 ZINC001208187204 1038124216 /nfs/dbraw/zinc/12/42/16/1038124216.db2.gz SEKMZNNUANVPJB-NQIIRXRSSA-N 1 3 359.514 2.531 20 0 FFADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001208240522 1038162203 /nfs/dbraw/zinc/16/22/03/1038162203.db2.gz XGUHFECUKHMIJL-MBOZVWFJSA-N 1 3 351.535 2.907 20 0 FFADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001208240523 1038162440 /nfs/dbraw/zinc/16/24/40/1038162440.db2.gz XGUHFECUKHMIJL-SQGPQFPESA-N 1 3 351.535 2.907 20 0 FFADHO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccc4ccoc43)CC[C@@H]21 ZINC001236731068 1038223531 /nfs/dbraw/zinc/22/35/31/1038223531.db2.gz AXOHQVCXHZRHFV-QYZOEREBSA-N 1 3 351.454 2.619 20 0 FFADHO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccc4ccoc43)CC[C@@H]21 ZINC001236731068 1038223544 /nfs/dbraw/zinc/22/35/44/1038223544.db2.gz AXOHQVCXHZRHFV-QYZOEREBSA-N 1 3 351.454 2.619 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447747 1038323276 /nfs/dbraw/zinc/32/32/76/1038323276.db2.gz OWJRZYVMBIZFAV-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001256037374 1038330891 /nfs/dbraw/zinc/33/08/91/1038330891.db2.gz FEECYEJSNJOMCZ-CTNGQTDRSA-N 1 3 357.498 2.815 20 0 FFADHO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001256037374 1038330903 /nfs/dbraw/zinc/33/09/03/1038330903.db2.gz FEECYEJSNJOMCZ-CTNGQTDRSA-N 1 3 357.498 2.815 20 0 FFADHO c1cnc(N2CCC([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)CC2)nc1 ZINC001256055978 1038346562 /nfs/dbraw/zinc/34/65/62/1038346562.db2.gz JWVLSKVYIMXRFZ-SFHVURJKSA-N 1 3 355.530 2.856 20 0 FFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)C1CC[NH+](C2CC2)CC1 ZINC001256083416 1038368612 /nfs/dbraw/zinc/36/86/12/1038368612.db2.gz UTBDZCJEUJORDV-QFIPXVFZSA-N 1 3 357.542 2.836 20 0 FFADHO Cc1cc(CN2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(F)cc1F ZINC001278912125 1038394524 /nfs/dbraw/zinc/39/45/24/1038394524.db2.gz PALNKFVABFOHKD-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(F)cc1F ZINC001278912125 1038394536 /nfs/dbraw/zinc/39/45/36/1038394536.db2.gz PALNKFVABFOHKD-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001208601266 1038438847 /nfs/dbraw/zinc/43/88/47/1038438847.db2.gz WLOFWXSOBHKPJL-YPAWHYETSA-N 1 3 373.541 2.810 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)C1 ZINC001208611112 1038445174 /nfs/dbraw/zinc/44/51/74/1038445174.db2.gz UQXKZYWHDGHPNY-QKNQBKEWSA-N 1 3 359.514 2.673 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)C1 ZINC001208611112 1038445176 /nfs/dbraw/zinc/44/51/76/1038445176.db2.gz UQXKZYWHDGHPNY-QKNQBKEWSA-N 1 3 359.514 2.673 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2)CCN1Cc1ccccc1 ZINC001256530241 1038546830 /nfs/dbraw/zinc/54/68/30/1038546830.db2.gz AMBZSIKELMBXDK-NRSPTQNISA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1C[C@@H](N2CCN(CCC(C)(C)O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256561180 1038560075 /nfs/dbraw/zinc/56/00/75/1038560075.db2.gz WADWQNOJTGSSMW-CTNGQTDRSA-N 1 3 359.558 2.818 20 0 FFADHO C[C@@H]1C[C@@H](N2CCN(CCC(C)(C)O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256561180 1038560083 /nfs/dbraw/zinc/56/00/83/1038560083.db2.gz WADWQNOJTGSSMW-CTNGQTDRSA-N 1 3 359.558 2.818 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256593424 1038574136 /nfs/dbraw/zinc/57/41/36/1038574136.db2.gz RCTJACZRKVFTGA-QFIPXVFZSA-N 1 3 372.557 2.621 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256593424 1038574137 /nfs/dbraw/zinc/57/41/37/1038574137.db2.gz RCTJACZRKVFTGA-QFIPXVFZSA-N 1 3 372.557 2.621 20 0 FFADHO c1ccc(CN2CC[C@H](C[NH+]3CCC(Oc4ccncn4)CC3)C2)cc1 ZINC001208965368 1038610349 /nfs/dbraw/zinc/61/03/49/1038610349.db2.gz YZQXEPZCLFNPNC-LJQANCHMSA-N 1 3 352.482 2.842 20 0 FFADHO Cc1cccc(CO[C@H]2C[C@H]3CN(C4CC[NH+](C(C)C)CC4)CCN3C2)n1 ZINC001257219110 1038749405 /nfs/dbraw/zinc/74/94/05/1038749405.db2.gz YNGPDAUKSVFCOJ-VXKWHMMOSA-N 1 3 372.557 2.538 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@H]3CN(CCC[NH+]4CCCCC4)CCN3C2)c1 ZINC001209450797 1038875561 /nfs/dbraw/zinc/87/55/61/1038875561.db2.gz RDUUFMNGQSTNHF-PZJWPPBQSA-N 1 3 361.505 2.839 20 0 FFADHO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CCCN2CCCCC2)N1Cc1cccnc1 ZINC001209451761 1038880017 /nfs/dbraw/zinc/88/00/17/1038880017.db2.gz QOKOLNBELAAYTR-WOJBJXKFSA-N 1 3 356.514 2.523 20 0 FFADHO O=C1CC[C@@H]2[C@@H](CC[N@H+]2CCCN2CCCCC2)N1Cc1cccnc1 ZINC001209451761 1038880041 /nfs/dbraw/zinc/88/00/41/1038880041.db2.gz QOKOLNBELAAYTR-WOJBJXKFSA-N 1 3 356.514 2.523 20 0 FFADHO c1c([C@@H]2C[NH2+]CCO2)cn2c1cccc2C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245424605 1039003034 /nfs/dbraw/zinc/00/30/34/1039003034.db2.gz HQZBAABYDHTZAY-KNQAVFIVSA-N 1 3 367.493 2.868 20 0 FFADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)CC1 ZINC001258015115 1039115272 /nfs/dbraw/zinc/11/52/72/1039115272.db2.gz PLVJRWSMTHRISZ-RTWAWAEBSA-N 1 3 359.514 2.814 20 0 FFADHO CC(C)CN1CCC([N@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)CC1 ZINC001258015115 1039115287 /nfs/dbraw/zinc/11/52/87/1039115287.db2.gz PLVJRWSMTHRISZ-RTWAWAEBSA-N 1 3 359.514 2.814 20 0 FFADHO [NH3+][C@@H]1CCN(C[C@H](O)COCc2c(Cl)cccc2Cl)CC[C@H]1F ZINC001246027175 1039200097 /nfs/dbraw/zinc/20/00/97/1039200097.db2.gz GFTIDHOJNIPURO-IUIKQTSFSA-N 1 3 365.276 2.632 20 0 FFADHO O[C@]1(C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CCCNC1 ZINC001246047259 1039217188 /nfs/dbraw/zinc/21/71/88/1039217188.db2.gz CMZGNSXMMZJQPI-QGZVFWFLSA-N 1 3 358.404 2.879 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+](CCCCCCO)Cc1ccccc1 ZINC001246049713 1039219616 /nfs/dbraw/zinc/21/96/16/1039219616.db2.gz ALNSNHATPOIMEW-XZOQPEGZSA-N 1 3 370.537 2.972 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001246049713 1039219630 /nfs/dbraw/zinc/21/96/30/1039219630.db2.gz ALNSNHATPOIMEW-XZOQPEGZSA-N 1 3 370.537 2.972 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN(CCCCCCO)Cc1ccccc1 ZINC001246049713 1039219640 /nfs/dbraw/zinc/21/96/40/1039219640.db2.gz ALNSNHATPOIMEW-XZOQPEGZSA-N 1 3 370.537 2.972 20 0 FFADHO C[C@@H](Cc1ccco1)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258172847 1039248168 /nfs/dbraw/zinc/24/81/68/1039248168.db2.gz TYSMIZISXGUWSQ-HKUYNNGSSA-N 1 3 369.509 2.615 20 0 FFADHO COc1ccc(Cl)c2c1C[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246154137 1039260634 /nfs/dbraw/zinc/26/06/34/1039260634.db2.gz UBOHPRDYBXYBKN-KPOBHBOGSA-N 1 3 364.917 2.954 20 0 FFADHO Clc1ccc(CN2CCO[C@@H](C[NH2+][C@H]3CCCNC3)C2)cc1Cl ZINC001246342488 1039318127 /nfs/dbraw/zinc/31/81/27/1039318127.db2.gz AKAMNHLFJNJJEB-GJZGRUSLSA-N 1 3 358.313 2.536 20 0 FFADHO COc1ccc(CN2CC[C@H](N[C@@]34CC[C@@]([NH3+])(C3)CCC4)CC2=O)cc1 ZINC001246343345 1039319312 /nfs/dbraw/zinc/31/93/12/1039319312.db2.gz WNFBMPHEJKUSEO-WMQCIHAUSA-N 1 3 357.498 2.580 20 0 FFADHO CCC(CC)[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246417219 1039345550 /nfs/dbraw/zinc/34/55/50/1039345550.db2.gz SYLWPWCNNLXHAF-UURKPOQGSA-N 1 3 366.546 2.601 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC001251929481 1039359509 /nfs/dbraw/zinc/35/95/09/1039359509.db2.gz HGZSZHXLTXIDSB-GBESFXJTSA-N 1 3 350.478 2.904 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC001251929481 1039359517 /nfs/dbraw/zinc/35/95/17/1039359517.db2.gz HGZSZHXLTXIDSB-GBESFXJTSA-N 1 3 350.478 2.904 20 0 FFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246657171 1039430804 /nfs/dbraw/zinc/43/08/04/1039430804.db2.gz GJKZXARJIONKET-WCZJQEMASA-N 1 3 354.473 2.938 20 0 FFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246657171 1039430807 /nfs/dbraw/zinc/43/08/07/1039430807.db2.gz GJKZXARJIONKET-WCZJQEMASA-N 1 3 354.473 2.938 20 0 FFADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CN1 ZINC001246669452 1039433668 /nfs/dbraw/zinc/43/36/68/1039433668.db2.gz AFZHGTCZBRYJPS-UWIFEVILSA-N 1 3 354.473 2.938 20 0 FFADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CN1 ZINC001246669452 1039433680 /nfs/dbraw/zinc/43/36/80/1039433680.db2.gz AFZHGTCZBRYJPS-UWIFEVILSA-N 1 3 354.473 2.938 20 0 FFADHO O=C1NC2(CCN(CCCC(F)(F)F)CC2)[C@H]2C[N@H+](C3CCCC3)C[C@H]12 ZINC001278461121 1039433927 /nfs/dbraw/zinc/43/39/27/1039433927.db2.gz JYOLQCIWANJLAJ-HOTGVXAUSA-N 1 3 373.463 2.784 20 0 FFADHO O=C1NC2(CCN(CCCC(F)(F)F)CC2)[C@H]2C[N@@H+](C3CCCC3)C[C@H]12 ZINC001278461121 1039433929 /nfs/dbraw/zinc/43/39/29/1039433929.db2.gz JYOLQCIWANJLAJ-HOTGVXAUSA-N 1 3 373.463 2.784 20 0 FFADHO C[C@@H]1CC[C@H](N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C[NH2+]1 ZINC001246721263 1039449462 /nfs/dbraw/zinc/44/94/62/1039449462.db2.gz KYKGCXMWRXBBJA-FGTMMUONSA-N 1 3 363.571 2.944 20 0 FFADHO CC(=O)Nc1ccc(CN2CC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)cc1 ZINC001278463960 1039458556 /nfs/dbraw/zinc/45/85/56/1039458556.db2.gz OAZAMKYXFHIEGB-LJQANCHMSA-N 1 3 357.498 2.579 20 0 FFADHO COCCOC[N@@H+]1CCC2(C1)CCN(Cc1cc(Cl)ccn1)CC2 ZINC001278654736 1039462145 /nfs/dbraw/zinc/46/21/45/1039462145.db2.gz TURZYCRJDPLRSH-UHFFFAOYSA-N 1 3 353.894 2.643 20 0 FFADHO COCCOC[N@H+]1CCC2(C1)CCN(Cc1cc(Cl)ccn1)CC2 ZINC001278654736 1039462149 /nfs/dbraw/zinc/46/21/49/1039462149.db2.gz TURZYCRJDPLRSH-UHFFFAOYSA-N 1 3 353.894 2.643 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CCN[C@@H](C)C3)CC2)c2ccccc21 ZINC001246765964 1039471673 /nfs/dbraw/zinc/47/16/73/1039471673.db2.gz OGNAJWUZKOLWJE-RCCFBDPRSA-N 1 3 355.526 2.784 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)c2ccccc21 ZINC001246765964 1039471682 /nfs/dbraw/zinc/47/16/82/1039471682.db2.gz OGNAJWUZKOLWJE-RCCFBDPRSA-N 1 3 355.526 2.784 20 0 FFADHO C[C@H]1C[C@@H](N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CC[NH2+]1 ZINC001246771910 1039473975 /nfs/dbraw/zinc/47/39/75/1039473975.db2.gz YWJVFAMVONXBAK-LLMJNHHCSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246771910 1039473980 /nfs/dbraw/zinc/47/39/80/1039473980.db2.gz YWJVFAMVONXBAK-LLMJNHHCSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246771910 1039473990 /nfs/dbraw/zinc/47/39/90/1039473990.db2.gz YWJVFAMVONXBAK-LLMJNHHCSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001258806854 1039523678 /nfs/dbraw/zinc/52/36/78/1039523678.db2.gz CETYSUGQGGEENE-RLLQIKCJSA-N 1 3 357.542 2.970 20 0 FFADHO COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1C ZINC001210426193 1039538502 /nfs/dbraw/zinc/53/85/02/1039538502.db2.gz BTVAIFDLFVAPMN-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426964 1039542185 /nfs/dbraw/zinc/54/21/85/1039542185.db2.gz MFPSJTJFAPZJGX-DYESRHJHSA-N 1 3 368.525 2.903 20 0 FFADHO Cc1ccc(OCCN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC001210433606 1039544018 /nfs/dbraw/zinc/54/40/18/1039544018.db2.gz UPDNCVUSVXXUKD-UYAOXDASSA-N 1 3 361.530 2.542 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001210497738 1039584076 /nfs/dbraw/zinc/58/40/76/1039584076.db2.gz IMWCHCQNKLYYMY-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001210497738 1039584092 /nfs/dbraw/zinc/58/40/92/1039584092.db2.gz IMWCHCQNKLYYMY-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C2CCCC2)CC1 ZINC001252932074 1039806553 /nfs/dbraw/zinc/80/65/53/1039806553.db2.gz PTGSJPIFEMDLEJ-KRWDZBQOSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C2CCCC2)CC1 ZINC001252932074 1039806568 /nfs/dbraw/zinc/80/65/68/1039806568.db2.gz PTGSJPIFEMDLEJ-KRWDZBQOSA-N 1 3 352.567 2.870 20 0 FFADHO CN(C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001253024059 1039927830 /nfs/dbraw/zinc/92/78/30/1039927830.db2.gz QNJHEBFSERXKBF-XUVXKRRUSA-N 1 3 358.530 2.775 20 0 FFADHO COc1ccc(-c2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247829353 1039975437 /nfs/dbraw/zinc/97/54/37/1039975437.db2.gz HMZHLFCCFKWGOS-SFHVURJKSA-N 1 3 362.433 2.689 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+]Cc1c[nH]c2cc(Br)ccc12 ZINC001253209332 1040047534 /nfs/dbraw/zinc/04/75/34/1040047534.db2.gz AMNAFYRHWSIRIE-CQSZACIVSA-N 1 3 354.292 2.723 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CSc2ccc(Br)cc2C1 ZINC001253217543 1040054470 /nfs/dbraw/zinc/05/44/70/1040054470.db2.gz YMQRKKLFTGLFCB-GJZGRUSLSA-N 1 3 373.360 2.758 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219168 1040344396 /nfs/dbraw/zinc/34/43/96/1040344396.db2.gz DQRYRJJMYDGFAH-BGEOSOQGSA-N 1 3 365.562 2.813 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219168 1040344411 /nfs/dbraw/zinc/34/44/11/1040344411.db2.gz DQRYRJJMYDGFAH-BGEOSOQGSA-N 1 3 365.562 2.813 20 0 FFADHO OC1(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254037222 1040538324 /nfs/dbraw/zinc/53/83/24/1040538324.db2.gz UJVYYAWMLHIROT-MSOLQXFVSA-N 1 3 350.453 2.991 20 0 FFADHO OC1(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254037222 1040538341 /nfs/dbraw/zinc/53/83/41/1040538341.db2.gz UJVYYAWMLHIROT-MSOLQXFVSA-N 1 3 350.453 2.991 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1OC)N(CC)CC ZINC001213434545 1040548355 /nfs/dbraw/zinc/54/83/55/1040548355.db2.gz GQDGHHWEEPHDGU-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1OC)N(CC)CC ZINC001213434545 1040548375 /nfs/dbraw/zinc/54/83/75/1040548375.db2.gz GQDGHHWEEPHDGU-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO OC[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001254050310 1040553050 /nfs/dbraw/zinc/55/30/50/1040553050.db2.gz IRCQIPKWIIPPHX-FQEVSTJZSA-N 1 3 374.912 2.990 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213592617 1040698219 /nfs/dbraw/zinc/69/82/19/1040698219.db2.gz BLERNFKMHZCBCQ-GUDVDZBRSA-N 1 3 355.567 2.749 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)CC3([NH+](C)C)CCC3)C2)cc1 ZINC001254474003 1040738508 /nfs/dbraw/zinc/73/85/08/1040738508.db2.gz MJTVRRXHFYDFIN-LJQANCHMSA-N 1 3 358.530 2.695 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001254517788 1040766825 /nfs/dbraw/zinc/76/68/25/1040766825.db2.gz JRMAJPDPEPJTKD-ZVDOUQERSA-N 1 3 359.514 2.816 20 0 FFADHO C[N@H+]1CCC[C@H](N2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001254517788 1040766834 /nfs/dbraw/zinc/76/68/34/1040766834.db2.gz JRMAJPDPEPJTKD-ZVDOUQERSA-N 1 3 359.514 2.816 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cc(C)ccc2C)C[C@H]1OC ZINC001213678348 1040787025 /nfs/dbraw/zinc/78/70/25/1040787025.db2.gz QTKNENWQUWPYJN-DFQSSKMNSA-N 1 3 361.530 2.522 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cc(C)ccc2C)C[C@H]1OC ZINC001213678348 1040787039 /nfs/dbraw/zinc/78/70/39/1040787039.db2.gz QTKNENWQUWPYJN-DFQSSKMNSA-N 1 3 361.530 2.522 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868059 1041009427 /nfs/dbraw/zinc/00/94/27/1041009427.db2.gz JURXTMQFRYPOSU-BGEOSOQGSA-N 1 3 365.562 2.814 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCC1 ZINC001213934398 1041086634 /nfs/dbraw/zinc/08/66/34/1041086634.db2.gz SCOOAIUAURPEAU-QRVBRYPASA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCC1 ZINC001213934398 1041086650 /nfs/dbraw/zinc/08/66/50/1041086650.db2.gz SCOOAIUAURPEAU-QRVBRYPASA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213934398 1041086667 /nfs/dbraw/zinc/08/66/67/1041086667.db2.gz SCOOAIUAURPEAU-QRVBRYPASA-N 1 3 367.578 2.749 20 0 FFADHO CCOc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(Cl)cn1 ZINC001250324518 1041165731 /nfs/dbraw/zinc/16/57/31/1041165731.db2.gz REGQWIKCYFZJEV-UHFFFAOYSA-N 1 3 366.937 2.593 20 0 FFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCN(c3cc[nH+]cc3C)CC1)C2 ZINC001255212433 1041203188 /nfs/dbraw/zinc/20/31/88/1041203188.db2.gz JOWIPMDGFRZFPH-BCDXTJNWSA-N 1 3 358.486 2.664 20 0 FFADHO CC(C)c1ccc(OCCNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001261492767 1041267319 /nfs/dbraw/zinc/26/73/19/1041267319.db2.gz UJRQGCDRFCPJCE-UHFFFAOYSA-N 1 3 373.541 2.771 20 0 FFADHO CCCC[C@@H](C)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001255327958 1041270707 /nfs/dbraw/zinc/27/07/07/1041270707.db2.gz DQEQNBNEKLNZST-GOSISDBHSA-N 1 3 365.562 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC001261500441 1041273946 /nfs/dbraw/zinc/27/39/46/1041273946.db2.gz RZSACJJYIKCXCP-JLYLLQBASA-N 1 3 356.514 2.688 20 0 FFADHO C[N@@H+]1C[C@@]23CN(C(=O)[C@]4(F)CCN(C(C)(C)C)C4)C[C@]2(C1)CCCC3 ZINC001538074377 1070335055 /nfs/dbraw/zinc/33/50/55/1070335055.db2.gz JPOZUUNZYJFIEY-ZCNNSNEGSA-N 1 3 351.510 2.533 20 0 FFADHO C[N@H+]1C[C@@]23CN(C(=O)[C@]4(F)CCN(C(C)(C)C)C4)C[C@]2(C1)CCCC3 ZINC001538074377 1070335070 /nfs/dbraw/zinc/33/50/70/1070335070.db2.gz JPOZUUNZYJFIEY-ZCNNSNEGSA-N 1 3 351.510 2.533 20 0 FFADHO CCN1CCO[C@@H]2C[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255405012 1041323361 /nfs/dbraw/zinc/32/33/61/1041323361.db2.gz VIFICOWFLAREEM-FDFHNCONSA-N 1 3 357.542 2.694 20 0 FFADHO CCN1CCO[C@@H]2C[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255405012 1041323377 /nfs/dbraw/zinc/32/33/77/1041323377.db2.gz VIFICOWFLAREEM-FDFHNCONSA-N 1 3 357.542 2.694 20 0 FFADHO Cc1cc(C[N@@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3)C2)ccc1O ZINC001278606164 1041394037 /nfs/dbraw/zinc/39/40/37/1041394037.db2.gz SUBSBHKVTVQCHY-OAQYLSRUSA-N 1 3 354.498 2.885 20 0 FFADHO Cc1cc(C[N@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3)C2)ccc1O ZINC001278606164 1041394045 /nfs/dbraw/zinc/39/40/45/1041394045.db2.gz SUBSBHKVTVQCHY-OAQYLSRUSA-N 1 3 354.498 2.885 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[NH2+]CCC34CCC4)cc2)CC1 ZINC001262042789 1041526034 /nfs/dbraw/zinc/52/60/34/1041526034.db2.gz XGNCLHMRTNVXLU-UHFFFAOYSA-N 1 3 370.541 2.575 20 0 FFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001214855728 1041595557 /nfs/dbraw/zinc/59/55/57/1041595557.db2.gz MBNDZTRCNOTMPW-UIFIKXQLSA-N 1 3 357.542 2.704 20 0 FFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001214855982 1041596239 /nfs/dbraw/zinc/59/62/39/1041596239.db2.gz TVCNVOPTBPMSHS-DUXKGJEZSA-N 1 3 357.542 2.704 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001214855666 1041596348 /nfs/dbraw/zinc/59/63/48/1041596348.db2.gz KKEGIIMMEQCGMO-DUXKGJEZSA-N 1 3 357.542 2.786 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(F)ccc2OC)C1 ZINC001215000082 1041639913 /nfs/dbraw/zinc/63/99/13/1041639913.db2.gz WYSVKPUYEYWQEK-RHSMWYFYSA-N 1 3 365.493 2.501 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(F)ccc2OC)C1 ZINC001215000082 1041639918 /nfs/dbraw/zinc/63/99/18/1041639918.db2.gz WYSVKPUYEYWQEK-RHSMWYFYSA-N 1 3 365.493 2.501 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1cccc(Cl)c1F ZINC001215461105 1041790757 /nfs/dbraw/zinc/79/07/57/1041790757.db2.gz SCVKTZYXTSIJAF-DVOMOZLQSA-N 1 3 355.885 2.928 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001215474175 1041797485 /nfs/dbraw/zinc/79/74/85/1041797485.db2.gz MNVREVGBOOSOIA-KBAYOESNSA-N 1 3 351.560 2.703 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001215998914 1041927417 /nfs/dbraw/zinc/92/74/17/1041927417.db2.gz IBNJURIMZNPYPO-UPRAQXHNSA-N 1 3 365.468 2.730 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC001216001975 1041928870 /nfs/dbraw/zinc/92/88/70/1041928870.db2.gz MSQGIVWAXKLDGT-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001216499451 1042041959 /nfs/dbraw/zinc/04/19/59/1042041959.db2.gz JIPCLQOYDHSJPF-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001216844642 1042141566 /nfs/dbraw/zinc/14/15/66/1042141566.db2.gz HURANWHWGSKDNI-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001216852334 1042144742 /nfs/dbraw/zinc/14/47/42/1042144742.db2.gz UPELIZHSGMKWTD-LVCYWYKZSA-N 1 3 357.542 2.568 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001263767923 1042473322 /nfs/dbraw/zinc/47/33/22/1042473322.db2.gz IXFBUJZZEQOWQN-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2sc(C)nc2C)[C@@H]1CC ZINC001264067503 1042610942 /nfs/dbraw/zinc/61/09/42/1042610942.db2.gz GRKQXHIIHQEQKE-DLBZAZTESA-N 1 3 366.575 2.961 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2sc(C)nc2C)[C@@H]1CC ZINC001264067503 1042610943 /nfs/dbraw/zinc/61/09/43/1042610943.db2.gz GRKQXHIIHQEQKE-DLBZAZTESA-N 1 3 366.575 2.961 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCc2ccsc2)[C@@H]1C)N(C)C ZINC001264728089 1042808510 /nfs/dbraw/zinc/80/85/10/1042808510.db2.gz BONRGYWHDZKLJR-BPQIPLTHSA-N 1 3 351.560 2.846 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCc2ccsc2)[C@@H]1C)N(C)C ZINC001264728089 1042808515 /nfs/dbraw/zinc/80/85/15/1042808515.db2.gz BONRGYWHDZKLJR-BPQIPLTHSA-N 1 3 351.560 2.846 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000705090097 1042903295 /nfs/dbraw/zinc/90/32/95/1042903295.db2.gz VGYBKORWXSFBDQ-QGZVFWFLSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000705090097 1042903298 /nfs/dbraw/zinc/90/32/98/1042903298.db2.gz VGYBKORWXSFBDQ-QGZVFWFLSA-N 1 3 369.550 2.603 20 0 FFADHO COc1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1C ZINC001279142900 1042916756 /nfs/dbraw/zinc/91/67/56/1042916756.db2.gz HFWMJQSBBSZSSI-UHFFFAOYSA-N 1 3 354.498 2.798 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2CC1 ZINC001279225807 1042952571 /nfs/dbraw/zinc/95/25/71/1042952571.db2.gz TVZIICDALPMLGU-IYBDPMFKSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2CC1 ZINC001279225807 1042952568 /nfs/dbraw/zinc/95/25/68/1042952568.db2.gz TVZIICDALPMLGU-IYBDPMFKSA-N 1 3 367.896 2.711 20 0 FFADHO CC(C)Oc1ccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cn1 ZINC001279278157 1042980447 /nfs/dbraw/zinc/98/04/47/1042980447.db2.gz ZARYHHHMSHYOCN-RTWAWAEBSA-N 1 3 360.546 2.955 20 0 FFADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(C)[nH]c2ncccc12 ZINC001279289826 1042985468 /nfs/dbraw/zinc/98/54/68/1042985468.db2.gz CJUWOSOSFJVGSC-ALOPSCKCSA-N 1 3 358.486 2.577 20 0 FFADHO CCc1ccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)nc1 ZINC001279300255 1042990617 /nfs/dbraw/zinc/99/06/17/1042990617.db2.gz MUZIFAOKDVIPNU-UHFFFAOYSA-N 1 3 353.514 2.829 20 0 FFADHO CCc1ccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)nc1 ZINC001279300255 1042990618 /nfs/dbraw/zinc/99/06/18/1042990618.db2.gz MUZIFAOKDVIPNU-UHFFFAOYSA-N 1 3 353.514 2.829 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cnn(C)c1C)CC2 ZINC001279350984 1043020557 /nfs/dbraw/zinc/02/05/57/1043020557.db2.gz BDBYSAPWXRVZPJ-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1cnn(C)c1C)CC2 ZINC001279350984 1043020561 /nfs/dbraw/zinc/02/05/61/1043020561.db2.gz BDBYSAPWXRVZPJ-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC001279368677 1043032195 /nfs/dbraw/zinc/03/21/95/1043032195.db2.gz AWKXGDUWFMSIHQ-UHFFFAOYSA-N 1 3 354.498 2.544 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)c(C)c2C)CCC12C[NH2+]C2 ZINC001237435525 1043159740 /nfs/dbraw/zinc/15/97/40/1043159740.db2.gz IEUMKDNCELFVDU-INIZCTEOSA-N 1 3 350.890 2.931 20 0 FFADHO CN(C)CC1(C[N@@H+]2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)CCCC1 ZINC001279493110 1043179803 /nfs/dbraw/zinc/17/98/03/1043179803.db2.gz WUBHSADYWSYAGX-NRFANRHFSA-N 1 3 359.562 2.820 20 0 FFADHO CN(C)CC1(C[N@H+]2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)CCCC1 ZINC001279493110 1043179806 /nfs/dbraw/zinc/17/98/06/1043179806.db2.gz WUBHSADYWSYAGX-NRFANRHFSA-N 1 3 359.562 2.820 20 0 FFADHO CCCc1ccc(CN2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)s1 ZINC001279583262 1043294030 /nfs/dbraw/zinc/29/40/30/1043294030.db2.gz UMTRHJYNEIANLM-HXUWFJFHSA-N 1 3 365.587 2.929 20 0 FFADHO COc1ccc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c(C)n1 ZINC001279584777 1043296719 /nfs/dbraw/zinc/29/67/19/1043296719.db2.gz CWHKRDFBQMEVOQ-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO COc1ccc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c(C)n1 ZINC001279584777 1043296729 /nfs/dbraw/zinc/29/67/29/1043296729.db2.gz CWHKRDFBQMEVOQ-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO C[NH+](C)CCN1CCC2(CN(Cc3ccccc3N3CCCCC3)C2)C1 ZINC001279603453 1043323326 /nfs/dbraw/zinc/32/33/26/1043323326.db2.gz FTAZIAUJUGIHPM-UHFFFAOYSA-N 1 3 356.558 2.746 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCc3cccc(Cl)c3)C[C@H]2CC1 ZINC001279610557 1043336648 /nfs/dbraw/zinc/33/66/48/1043336648.db2.gz GJHTWQODSTYLMO-HDICACEKSA-N 1 3 363.933 2.615 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCc3cccc(Cl)c3)C[C@H]2CC1 ZINC001279610557 1043336662 /nfs/dbraw/zinc/33/66/62/1043336662.db2.gz GJHTWQODSTYLMO-HDICACEKSA-N 1 3 363.933 2.615 20 0 FFADHO Nc1ccc(F)cc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279613269 1043340490 /nfs/dbraw/zinc/34/04/90/1043340490.db2.gz DBBBKXQYKMRBHD-UHFFFAOYSA-N 1 3 357.477 2.593 20 0 FFADHO Nc1ccc(F)cc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279613269 1043340495 /nfs/dbraw/zinc/34/04/95/1043340495.db2.gz DBBBKXQYKMRBHD-UHFFFAOYSA-N 1 3 357.477 2.593 20 0 FFADHO Cc1cc(CN2CCCC3(CC[NH+](C[C@@H]4CCCOC4)CC3)C2)n(C)n1 ZINC001279618530 1043350465 /nfs/dbraw/zinc/35/04/65/1043350465.db2.gz XHFIECLRHVCKKB-IBGZPJMESA-N 1 3 360.546 2.833 20 0 FFADHO COc1ccc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001279644787 1043391201 /nfs/dbraw/zinc/39/12/01/1043391201.db2.gz BDABYAAOIYJYCI-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO COc1ccc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001279644787 1043391206 /nfs/dbraw/zinc/39/12/06/1043391206.db2.gz BDABYAAOIYJYCI-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCCC2(CCN(Cc3ccc(Cl)nc3)CC2)C1 ZINC001279650712 1043404083 /nfs/dbraw/zinc/40/40/83/1043404083.db2.gz WFNMJMXQSUUXAM-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCCC2(CCN(Cc3ccc(Cl)nc3)CC2)C1 ZINC001279650712 1043404089 /nfs/dbraw/zinc/40/40/89/1043404089.db2.gz WFNMJMXQSUUXAM-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1cccnc1C ZINC001316742486 1043628956 /nfs/dbraw/zinc/62/89/56/1043628956.db2.gz OQWAOYDPFVGMGO-VQTJNVASSA-N 1 3 358.530 2.735 20 0 FFADHO CCOc1cc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)ccn1 ZINC001279811558 1043687051 /nfs/dbraw/zinc/68/70/51/1043687051.db2.gz UIPGQXCRNLLKQG-UHFFFAOYSA-N 1 3 360.546 2.720 20 0 FFADHO CCOc1cc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)ccn1 ZINC001279811558 1043687061 /nfs/dbraw/zinc/68/70/61/1043687061.db2.gz UIPGQXCRNLLKQG-UHFFFAOYSA-N 1 3 360.546 2.720 20 0 FFADHO CCOc1ccc(C)c(CN2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c1 ZINC001238706179 1043830670 /nfs/dbraw/zinc/83/06/70/1043830670.db2.gz FZJBBGSDRDVIOU-WIYYLYMNSA-N 1 3 362.514 2.563 20 0 FFADHO CCOc1ccc(C)c(CN2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c1 ZINC001238706179 1043830684 /nfs/dbraw/zinc/83/06/84/1043830684.db2.gz FZJBBGSDRDVIOU-WIYYLYMNSA-N 1 3 362.514 2.563 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC001311399100 1043908888 /nfs/dbraw/zinc/90/88/88/1043908888.db2.gz KVRFUJKYPFPNHA-ZJOUEHCJSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)C2)cc1 ZINC001311399100 1043908893 /nfs/dbraw/zinc/90/88/93/1043908893.db2.gz KVRFUJKYPFPNHA-ZJOUEHCJSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC001311399092 1043908959 /nfs/dbraw/zinc/90/89/59/1043908959.db2.gz KVRFUJKYPFPNHA-DYXWJJEUSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC001311399092 1043908964 /nfs/dbraw/zinc/90/89/64/1043908964.db2.gz KVRFUJKYPFPNHA-DYXWJJEUSA-N 1 3 372.557 2.989 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311401518 1043910475 /nfs/dbraw/zinc/91/04/75/1043910475.db2.gz WUTCTHHZIPLZID-GUDVDZBRSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001311401518 1043910483 /nfs/dbraw/zinc/91/04/83/1043910483.db2.gz WUTCTHHZIPLZID-GUDVDZBRSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1cccc(CN2C[C@H]3C[C@@]3(C(=O)N3CCC([NH+](C)C)CC3)C2)c1F ZINC001279974682 1044015785 /nfs/dbraw/zinc/01/57/85/1044015785.db2.gz VYFJGZQAHCCXAJ-DYESRHJHSA-N 1 3 359.489 2.509 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC001312219885 1044071936 /nfs/dbraw/zinc/07/19/36/1044071936.db2.gz UVRHISFRTKDXRI-SQIBXOBRSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC001312219885 1044071946 /nfs/dbraw/zinc/07/19/46/1044071946.db2.gz UVRHISFRTKDXRI-SQIBXOBRSA-N 1 3 358.530 2.535 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC001239218422 1044073650 /nfs/dbraw/zinc/07/36/50/1044073650.db2.gz ZPNKFEZYEQFJAE-LBPRGKRZSA-N 1 3 357.285 2.989 20 0 FFADHO CS(=O)(=O)c1cccc(-c2ccc(CN3CCC(C[NH3+])CC3)cc2)c1 ZINC001239836065 1044174185 /nfs/dbraw/zinc/17/41/85/1044174185.db2.gz LLXDWYPQCZQECV-UHFFFAOYSA-N 1 3 358.507 2.928 20 0 FFADHO CN1CCN(Cc2ccc(-c3ccccc3N3CC[NH2+]CC3)cc2)CC1 ZINC001240408282 1044333624 /nfs/dbraw/zinc/33/36/24/1044333624.db2.gz HFWGLHRPZIHMEJ-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313865825 1044432928 /nfs/dbraw/zinc/43/29/28/1044432928.db2.gz PGKPNHWKXFSVJH-DLBZAZTESA-N 1 3 360.550 2.560 20 0 FFADHO CCN1CCN(c2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001241743196 1044584344 /nfs/dbraw/zinc/58/43/44/1044584344.db2.gz KVVQDADFRULQPO-UHFFFAOYSA-N 1 3 364.537 2.901 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccnc(Cl)c1 ZINC001316709590 1044809371 /nfs/dbraw/zinc/80/93/71/1044809371.db2.gz SQDKDNBORDXMDF-WBVHZDCISA-N 1 3 366.937 2.792 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(CCOCC3CCC3)[C@@H]2C)CC1 ZINC001316792733 1044993688 /nfs/dbraw/zinc/99/36/88/1044993688.db2.gz GDZUFIFPKYAEJK-XLIONFOSSA-N 1 3 365.562 2.503 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)cc2)cn1 ZINC001321500789 1045686807 /nfs/dbraw/zinc/68/68/07/1045686807.db2.gz LFAQEIRCHJWRSR-FCHUYYIVSA-N 1 3 368.525 2.945 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001322740296 1046205779 /nfs/dbraw/zinc/20/57/79/1046205779.db2.gz IYXNHMYOHQFKKN-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccco1 ZINC001325323292 1046468798 /nfs/dbraw/zinc/46/87/98/1046468798.db2.gz FGGAERVINFTRHA-IRXDYDNUSA-N 1 3 362.518 2.884 20 0 FFADHO CN1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001326087226 1046760385 /nfs/dbraw/zinc/76/03/85/1046760385.db2.gz RAJZJJIHNNCRNW-UDEWTMQYSA-N 1 3 370.541 2.966 20 0 FFADHO CN1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001326087226 1046760397 /nfs/dbraw/zinc/76/03/97/1046760397.db2.gz RAJZJJIHNNCRNW-UDEWTMQYSA-N 1 3 370.541 2.966 20 0 FFADHO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001328463907 1048314199 /nfs/dbraw/zinc/31/41/99/1048314199.db2.gz DEHGKEJZOJTRGK-HXUWFJFHSA-N 1 3 358.530 2.674 20 0 FFADHO CCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001328463907 1048314213 /nfs/dbraw/zinc/31/42/13/1048314213.db2.gz DEHGKEJZOJTRGK-HXUWFJFHSA-N 1 3 358.530 2.674 20 0 FFADHO CCC1(CC)CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001331221464 1049516333 /nfs/dbraw/zinc/51/63/33/1049516333.db2.gz HKCVYWQJHRZPCV-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO CCC[N@@H+]1CC[C@H](Cn2c(CC)nnc2N2CCN(C3CCCC3)CC2)C1 ZINC001294661023 1049791251 /nfs/dbraw/zinc/79/12/51/1049791251.db2.gz ICFHLGIUXZELII-SFHVURJKSA-N 1 3 374.577 2.637 20 0 FFADHO CCC[N@H+]1CC[C@H](Cn2c(CC)nnc2N2CCN(C3CCCC3)CC2)C1 ZINC001294661023 1049791260 /nfs/dbraw/zinc/79/12/60/1049791260.db2.gz ICFHLGIUXZELII-SFHVURJKSA-N 1 3 374.577 2.637 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001295996850 1050010178 /nfs/dbraw/zinc/01/01/78/1050010178.db2.gz OJSYQHXDEIRWMN-HOTGVXAUSA-N 1 3 360.550 2.559 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001296043099 1050015042 /nfs/dbraw/zinc/01/50/42/1050015042.db2.gz DVCMQBQQBLIKAY-UTKZUKDTSA-N 1 3 355.526 2.888 20 0 FFADHO CC[N@@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001296043331 1050015327 /nfs/dbraw/zinc/01/53/27/1050015327.db2.gz UZHUNWFQFWBJKC-KRWDZBQOSA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001296043331 1050015334 /nfs/dbraw/zinc/01/53/34/1050015334.db2.gz UZHUNWFQFWBJKC-KRWDZBQOSA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@@H+]1CCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)CC1 ZINC001296066209 1050018578 /nfs/dbraw/zinc/01/85/78/1050018578.db2.gz BHTKSUDIAUPJAM-IBGZPJMESA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@H+]1CCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)CC1 ZINC001296066209 1050018582 /nfs/dbraw/zinc/01/85/82/1050018582.db2.gz BHTKSUDIAUPJAM-IBGZPJMESA-N 1 3 374.577 2.808 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2cccc3c2OCCNC3)[NH+](C)C)cc1 ZINC001341658559 1050284490 /nfs/dbraw/zinc/28/44/90/1050284490.db2.gz HAWWZSPOSQTLOG-IBGZPJMESA-N 1 3 353.466 2.510 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCCNC2 ZINC001340033618 1050443120 /nfs/dbraw/zinc/44/31/20/1050443120.db2.gz LRVILPWFUFPXHX-UHFFFAOYSA-N 1 3 365.477 2.694 20 0 FFADHO CCN(C)[C@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001302177849 1051055097 /nfs/dbraw/zinc/05/50/97/1051055097.db2.gz KGKSWYGSWDQUGP-RTWAWAEBSA-N 1 3 351.494 2.723 20 0 FFADHO CC(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001344836066 1052047719 /nfs/dbraw/zinc/04/77/19/1052047719.db2.gz VDEBEYXDWMXFAD-RBUKOAKNSA-N 1 3 374.577 2.808 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])N2CCCC2)cc1 ZINC001343407786 1052211448 /nfs/dbraw/zinc/21/14/48/1052211448.db2.gz LYUCTBUFQFXDQF-PXNSSMCTSA-N 1 3 367.497 2.552 20 0 FFADHO O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cccc2c1C[NH2+]C2 ZINC001344591194 1052849188 /nfs/dbraw/zinc/84/91/88/1052849188.db2.gz UHPBGXMXQHJLMC-UHFFFAOYSA-N 1 3 364.493 2.831 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001344615598 1052861052 /nfs/dbraw/zinc/86/10/52/1052861052.db2.gz YTWVGLHWLAWRCN-GOSISDBHSA-N 1 3 355.486 2.843 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C2 ZINC001346526815 1053074660 /nfs/dbraw/zinc/07/46/60/1053074660.db2.gz QHHYBLWOHKKDON-YRPNKDGESA-N 1 3 356.514 2.562 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001335352404 1053312995 /nfs/dbraw/zinc/31/29/95/1053312995.db2.gz VPYXZNFFMQUZBT-GJZGRUSLSA-N 1 3 369.456 2.772 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@]12CC[NH2+]C2 ZINC001335500081 1053401726 /nfs/dbraw/zinc/40/17/26/1053401726.db2.gz KNUFPGXXLAAYIV-TZIWHRDSSA-N 1 3 356.514 2.751 20 0 FFADHO CN(C)CCN(C(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1CCCC1 ZINC001335650780 1053488533 /nfs/dbraw/zinc/48/85/33/1053488533.db2.gz QCCYAMQWQKXDBR-RVWIWJKTSA-N 1 3 358.530 2.561 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1c(F)cccc1F ZINC001335948864 1053663599 /nfs/dbraw/zinc/66/35/99/1053663599.db2.gz BGVQVDCUSHTDDC-LJQANCHMSA-N 1 3 361.436 2.895 20 0 FFADHO C[C@H](OC[C@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccc(Cl)cc1 ZINC001336052208 1053733914 /nfs/dbraw/zinc/73/39/14/1053733914.db2.gz XPCLJTDKPYXPFQ-WQANXHIZSA-N 1 3 352.906 2.995 20 0 FFADHO O=C(OC[C@H]1CCN1C1CCOCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC001347391846 1053927179 /nfs/dbraw/zinc/92/71/79/1053927179.db2.gz MLHATKDAAJIQMB-HXUWFJFHSA-N 1 3 358.482 2.693 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3OCc4ccccc43)CC2)CC1 ZINC001348235553 1054562941 /nfs/dbraw/zinc/56/29/41/1054562941.db2.gz PEXWHARIUPQAGU-OAQYLSRUSA-N 1 3 371.525 2.570 20 0 FFADHO CN(C)C1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCCCC1 ZINC000849053362 1055602718 /nfs/dbraw/zinc/60/27/18/1055602718.db2.gz BESUIEOFXUJCFH-UHFFFAOYSA-N 1 3 361.509 2.737 20 0 FFADHO [NH2+]=C(NC[C@@H](O)c1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849058791 1055611902 /nfs/dbraw/zinc/61/19/02/1055611902.db2.gz SMABRCZQRBGJQD-HXUWFJFHSA-N 1 3 370.472 2.638 20 0 FFADHO O[C@@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)COCc1ccc(Cl)cc1 ZINC001356620848 1055618767 /nfs/dbraw/zinc/61/87/67/1055618767.db2.gz GMHUDKKMXPUWHJ-QUCCMNQESA-N 1 3 366.933 2.929 20 0 FFADHO O[C@@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)COCc1ccc(Cl)cc1 ZINC001356620848 1055618774 /nfs/dbraw/zinc/61/87/74/1055618774.db2.gz GMHUDKKMXPUWHJ-QUCCMNQESA-N 1 3 366.933 2.929 20 0 FFADHO CCc1ccc([C@H](CNC(=O)c2cnc(C3CC[NH2+]CC3)o2)N(C)C)cc1 ZINC001357325754 1055865987 /nfs/dbraw/zinc/86/59/87/1055865987.db2.gz CVIRHCRPNAJQNQ-SFHVURJKSA-N 1 3 370.497 2.737 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001338884951 1055901714 /nfs/dbraw/zinc/90/17/14/1055901714.db2.gz CFEJKVOURVZIQM-XUVXKRRUSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001338922407 1055936283 /nfs/dbraw/zinc/93/62/83/1055936283.db2.gz LINOQNPCMKFQEE-VQTJNVASSA-N 1 3 360.546 2.675 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC001353313948 1056289449 /nfs/dbraw/zinc/28/94/49/1056289449.db2.gz DSIRLOYJBIDWNS-WBVHZDCISA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC001353313948 1056289464 /nfs/dbraw/zinc/28/94/64/1056289464.db2.gz DSIRLOYJBIDWNS-WBVHZDCISA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCCC(C)(C)[NH3+])N(C)C)cc1 ZINC001353476021 1056436635 /nfs/dbraw/zinc/43/66/35/1056436635.db2.gz AOEXKKVONYZEBP-KRWDZBQOSA-N 1 3 350.507 2.503 20 0 FFADHO S=C(NCCN1CCCCC1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001200428750 1056667814 /nfs/dbraw/zinc/66/78/14/1056667814.db2.gz QZRLEDAYNSZFPS-WOJBJXKFSA-N 1 3 372.582 2.553 20 0 FFADHO S=C(NCCN1CCCCC1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001200428750 1056667822 /nfs/dbraw/zinc/66/78/22/1056667822.db2.gz QZRLEDAYNSZFPS-WOJBJXKFSA-N 1 3 372.582 2.553 20 0 FFADHO COC1CCC(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849102266 1056760771 /nfs/dbraw/zinc/76/07/71/1056760771.db2.gz KEPYOMKQTBWYBG-UHFFFAOYSA-N 1 3 358.530 2.970 20 0 FFADHO CCc1nc(C)c(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)o1 ZINC000849103487 1056761993 /nfs/dbraw/zinc/76/19/93/1056761993.db2.gz ROQNQRVCGBYLKD-UHFFFAOYSA-N 1 3 355.486 2.824 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@@H]3CCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001499231255 1058272283 /nfs/dbraw/zinc/27/22/83/1058272283.db2.gz XCBKQVRCSBBLBF-QXAKKESOSA-N 1 3 359.489 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@@H]3CCc4ccc(F)cc43)CC2)CC[N@H+]1C ZINC001499231255 1058272297 /nfs/dbraw/zinc/27/22/97/1058272297.db2.gz XCBKQVRCSBBLBF-QXAKKESOSA-N 1 3 359.489 2.782 20 0 FFADHO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001513289684 1058366282 /nfs/dbraw/zinc/36/62/82/1058366282.db2.gz PMIWDAWUQGJBKA-GOSISDBHSA-N 1 3 364.582 2.873 20 0 FFADHO O=C(c1cc2c(s1)C[NH2+]CC2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001353948120 1058412739 /nfs/dbraw/zinc/41/27/39/1058412739.db2.gz CTMJANKRAOFPLX-ZWKOTPCHSA-N 1 3 367.518 2.740 20 0 FFADHO CCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001513838623 1058606935 /nfs/dbraw/zinc/60/69/35/1058606935.db2.gz WOQPAKRXJYCZKK-SJORKVTESA-N 1 3 362.566 2.634 20 0 FFADHO CCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001513838623 1058606945 /nfs/dbraw/zinc/60/69/45/1058606945.db2.gz WOQPAKRXJYCZKK-SJORKVTESA-N 1 3 362.566 2.634 20 0 FFADHO [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1ccc([C@H]4CNCCO4)cc1)(C3)C2 ZINC001354287624 1058812743 /nfs/dbraw/zinc/81/27/43/1058812743.db2.gz ZOOWMZCUGLUQBV-SZGBIAQMSA-N 1 3 355.482 2.584 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCOC1CCCCCC1 ZINC001505922223 1059417789 /nfs/dbraw/zinc/41/77/89/1059417789.db2.gz KBKGVBNXQYLPIZ-YQVWRLOYSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCOC1CCCCCC1 ZINC001505922223 1059417793 /nfs/dbraw/zinc/41/77/93/1059417793.db2.gz KBKGVBNXQYLPIZ-YQVWRLOYSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@H](CC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001355231042 1060011912 /nfs/dbraw/zinc/01/19/12/1060011912.db2.gz CUXGTJDUKFQOKH-YDZRNGNQSA-N 1 3 371.525 2.521 20 0 FFADHO CC(C)(CNC(=O)C1(C2CC[NH2+]CC2)CC1)N1CCc2ccccc2C1 ZINC001521434124 1060590882 /nfs/dbraw/zinc/59/08/82/1060590882.db2.gz VCSXCYOYJBSJTF-UHFFFAOYSA-N 1 3 355.526 2.719 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001459526981 1060772414 /nfs/dbraw/zinc/77/24/14/1060772414.db2.gz HIVRVNYFSGRBAV-IRFCIJBXSA-N 1 3 366.546 2.811 20 0 FFADHO O=C(CCN1CCCN(c2cc[nH+]cc2)CC1)Nc1cc(F)cc(F)c1 ZINC001460304444 1060953020 /nfs/dbraw/zinc/95/30/20/1060953020.db2.gz KYXWRSRZMZDFPE-UHFFFAOYSA-N 1 3 360.408 2.901 20 0 FFADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)Nc1cc(F)cc(F)c1 ZINC001460304444 1060953043 /nfs/dbraw/zinc/95/30/43/1060953043.db2.gz KYXWRSRZMZDFPE-UHFFFAOYSA-N 1 3 360.408 2.901 20 0 FFADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)Nc1cc(F)cc(F)c1 ZINC001460304444 1060953056 /nfs/dbraw/zinc/95/30/56/1060953056.db2.gz KYXWRSRZMZDFPE-UHFFFAOYSA-N 1 3 360.408 2.901 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H]([S@@](C)=O)C2)CC1 ZINC001461803755 1061410679 /nfs/dbraw/zinc/41/06/79/1061410679.db2.gz CSORCJYJPHQSMA-MPCDZSKCSA-N 1 3 363.571 2.608 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[N@@H+]1C1CC1 ZINC001478193151 1061937522 /nfs/dbraw/zinc/93/75/22/1061937522.db2.gz FYZXPELGPNFFCM-CUWPLCDZSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[N@H+]1C1CC1 ZINC001478193151 1061937551 /nfs/dbraw/zinc/93/75/51/1061937551.db2.gz FYZXPELGPNFFCM-CUWPLCDZSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001360557619 1061986915 /nfs/dbraw/zinc/98/69/15/1061986915.db2.gz CJCAHCVOAWLQEQ-INIZCTEOSA-N 1 3 360.550 2.560 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC001478769598 1062109991 /nfs/dbraw/zinc/10/99/91/1062109991.db2.gz JEDPEYZXTGPPFA-AHRSYUTCSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC001478769598 1062110001 /nfs/dbraw/zinc/11/00/01/1062110001.db2.gz JEDPEYZXTGPPFA-AHRSYUTCSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001478962497 1062164212 /nfs/dbraw/zinc/16/42/12/1062164212.db2.gz SHKYDNUFSZVCCL-MISYRCLQSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001478962497 1062164221 /nfs/dbraw/zinc/16/42/21/1062164221.db2.gz SHKYDNUFSZVCCL-MISYRCLQSA-N 1 3 372.557 2.927 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001478991063 1062174551 /nfs/dbraw/zinc/17/45/51/1062174551.db2.gz ZKENCKPHSPQBDT-HXUWFJFHSA-N 1 3 366.509 2.759 20 0 FFADHO C[N@H+]1CCC[C@@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001478991063 1062174558 /nfs/dbraw/zinc/17/45/58/1062174558.db2.gz ZKENCKPHSPQBDT-HXUWFJFHSA-N 1 3 366.509 2.759 20 0 FFADHO O=C(Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1)c1ccc2c(c1)CNC2 ZINC001522532652 1062206142 /nfs/dbraw/zinc/20/61/42/1062206142.db2.gz WYMYQCRKWFTDRU-UHFFFAOYSA-N 1 3 361.449 2.885 20 0 FFADHO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@@H]2C1 ZINC001479135359 1062241259 /nfs/dbraw/zinc/24/12/59/1062241259.db2.gz BVEYCPRNCGEXMO-DOIPELPJSA-N 1 3 370.541 2.681 20 0 FFADHO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@@H]2C1 ZINC001479135359 1062241279 /nfs/dbraw/zinc/24/12/79/1062241279.db2.gz BVEYCPRNCGEXMO-DOIPELPJSA-N 1 3 370.541 2.681 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001492911286 1062259995 /nfs/dbraw/zinc/25/99/95/1062259995.db2.gz FMCJBYCLKIBWMC-LJQANCHMSA-N 1 3 374.577 2.772 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001492911286 1062260020 /nfs/dbraw/zinc/26/00/20/1062260020.db2.gz FMCJBYCLKIBWMC-LJQANCHMSA-N 1 3 374.577 2.772 20 0 FFADHO COCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001479475283 1062450765 /nfs/dbraw/zinc/45/07/65/1062450765.db2.gz JIZOMYDZONVJRE-QKLQHJQFSA-N 1 3 371.541 2.500 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C)CC[N@H+](Cc2ccccc2)C1 ZINC001479490231 1062475956 /nfs/dbraw/zinc/47/59/56/1062475956.db2.gz DCHYSMKVIOHQBL-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C)CC[N@@H+](Cc2ccccc2)C1 ZINC001479490231 1062475961 /nfs/dbraw/zinc/47/59/61/1062475961.db2.gz DCHYSMKVIOHQBL-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001479572363 1062563743 /nfs/dbraw/zinc/56/37/43/1062563743.db2.gz NFKAWJKWAIQMGE-QYZOEREBSA-N 1 3 367.578 2.750 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001466170814 1063350891 /nfs/dbraw/zinc/35/08/91/1063350891.db2.gz LQXINVFXGKSCFH-JBACZVJFSA-N 1 3 371.525 2.965 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC001466170814 1063350907 /nfs/dbraw/zinc/35/09/07/1063350907.db2.gz LQXINVFXGKSCFH-JBACZVJFSA-N 1 3 371.525 2.965 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC001496706132 1063635159 /nfs/dbraw/zinc/63/51/59/1063635159.db2.gz DJZDOBCWRWTMIJ-ZTNFWEORSA-N 1 3 361.505 2.934 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC001496706132 1063635174 /nfs/dbraw/zinc/63/51/74/1063635174.db2.gz DJZDOBCWRWTMIJ-ZTNFWEORSA-N 1 3 361.505 2.934 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001468023906 1063912725 /nfs/dbraw/zinc/91/27/25/1063912725.db2.gz NWRDDQMQABONJA-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001468023906 1063912733 /nfs/dbraw/zinc/91/27/33/1063912733.db2.gz NWRDDQMQABONJA-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@@H+](C4CC4)C[C@@H](C)C3)C2)cc1 ZINC001471145528 1064579288 /nfs/dbraw/zinc/57/92/88/1064579288.db2.gz SBPQATGREJHFTC-QUCCMNQESA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@H+](C4CC4)C[C@@H](C)C3)C2)cc1 ZINC001471145528 1064579299 /nfs/dbraw/zinc/57/92/99/1064579299.db2.gz SBPQATGREJHFTC-QUCCMNQESA-N 1 3 370.541 2.695 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCC1 ZINC001575089074 1078105327 /nfs/dbraw/zinc/10/53/27/1078105327.db2.gz JGXKLCJKDMBXSO-DYESRHJHSA-N 1 3 357.498 2.623 20 0 FFADHO CC(C)CN1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2C[C@@H]2CC2(C)C)CC1 ZINC001575598961 1078156264 /nfs/dbraw/zinc/15/62/64/1078156264.db2.gz AFJSEINERGMKNB-ROUUACIJSA-N 1 3 374.577 2.569 20 0 FFADHO CC(C)Cc1nnc(N2CCC[C@@H]([NH3+])C2)n1CCN(C)Cc1ccccc1 ZINC001575662081 1078161052 /nfs/dbraw/zinc/16/10/52/1078161052.db2.gz BJGSUFSWDAMSGJ-LJQANCHMSA-N 1 3 370.545 2.536 20 0 FFADHO CC(C)N1CCC[C@@H](N2CCC3(CC2)C[C@@H]([NH3+])c2ccccc2O3)C1=O ZINC001575700036 1078165158 /nfs/dbraw/zinc/16/51/58/1078165158.db2.gz NBDRKQPLHYGOPI-QZTJIDSGSA-N 1 3 357.498 2.703 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 ZINC001576117144 1078196919 /nfs/dbraw/zinc/19/69/19/1078196919.db2.gz ICGKYQONHPKFNH-HOTGVXAUSA-N 1 3 355.523 2.510 20 0 FFADHO CC1(C)[NH2+][C@H](CCC(=O)NC[C@@H](c2cccs2)N2CCCC2)CO1 ZINC001576489310 1078235281 /nfs/dbraw/zinc/23/52/81/1078235281.db2.gz MKUCTXLXDBRGDL-CABCVRRESA-N 1 3 351.516 2.506 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001576693207 1078261592 /nfs/dbraw/zinc/26/15/92/1078261592.db2.gz BJIYAPZSLLQBTA-PXNSSMCTSA-N 1 3 358.530 2.655 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001576693207 1078261596 /nfs/dbraw/zinc/26/15/96/1078261596.db2.gz BJIYAPZSLLQBTA-PXNSSMCTSA-N 1 3 358.530 2.655 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1)c1ccco1 ZINC001577003855 1078293019 /nfs/dbraw/zinc/29/30/19/1078293019.db2.gz PYCPFDKVGFAYGO-QTQZEZTPSA-N 1 3 355.482 2.884 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccsc1 ZINC001577680937 1078387023 /nfs/dbraw/zinc/38/70/23/1078387023.db2.gz IBTVVCVPZMEDGM-LZLYRXPVSA-N 1 3 350.532 2.654 20 0 FFADHO C[NH2+][C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCCC2)CC1 ZINC001578575698 1078492279 /nfs/dbraw/zinc/49/22/79/1078492279.db2.gz QCLMFVMBBRFKGG-OAHLLOKOSA-N 1 3 372.517 2.519 20 0 FFADHO C[NH2+][C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001578613333 1078503600 /nfs/dbraw/zinc/50/36/00/1078503600.db2.gz XGFNLBXDPXXJQF-MSOLQXFVSA-N 1 3 374.508 2.642 20 0 FFADHO COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC001578847964 1078533612 /nfs/dbraw/zinc/53/36/12/1078533612.db2.gz USKMNJNYDJMCCS-LSDHHAIUSA-N 1 3 356.388 2.506 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)cc(Cl)n1 ZINC001549210342 1073692100 /nfs/dbraw/zinc/69/21/00/1073692100.db2.gz YMICSBPYDIUBMY-RCCFBDPRSA-N 1 3 372.900 2.695 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(OC)ccc3F)C2)[C@@H]1C(C)C ZINC001550424154 1074264255 /nfs/dbraw/zinc/26/42/55/1074264255.db2.gz YPNUGCTZQIFEIV-MUGJNUQGSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(OC)ccc3F)C2)[C@@H]1C(C)C ZINC001550424154 1074264261 /nfs/dbraw/zinc/26/42/61/1074264261.db2.gz YPNUGCTZQIFEIV-MUGJNUQGSA-N 1 3 350.478 2.794 20 0 FFADHO CN(C(=O)NC[C@H]1NCCc2ccccc21)C1CC[NH+](C(C)(C)C)CC1 ZINC001550732758 1074452745 /nfs/dbraw/zinc/45/27/45/1074452745.db2.gz CLDNCKIXXGJQJI-LJQANCHMSA-N 1 3 358.530 2.778 20 0 FFADHO O=C1CC[C@@H](NCc2cc(Cl)ccc2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913252 1074529765 /nfs/dbraw/zinc/52/97/65/1074529765.db2.gz MWXSRRWKLSLWQD-NVXWUHKLSA-N 1 3 356.297 2.730 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CCN1Cc1ccccc1 ZINC001551548890 1074753023 /nfs/dbraw/zinc/75/30/23/1074753023.db2.gz GJHMCXFWFZPXQQ-WJXBRQKSSA-N 1 3 356.514 2.609 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC001552395652 1075072361 /nfs/dbraw/zinc/07/23/61/1075072361.db2.gz FFPORFITZWDYAQ-LSTHTHJFSA-N 1 3 371.431 2.761 20 0 FFADHO COc1cc2c(cc1OC)[C@H](NCc1cnn3c1C[N@H+](C)CC3)CCCC2 ZINC001552756083 1075139980 /nfs/dbraw/zinc/13/99/80/1075139980.db2.gz JJSOVAWKCUSGHD-GOSISDBHSA-N 1 3 370.497 2.903 20 0 FFADHO COc1cc2c(cc1OC)[C@H](NCc1cnn3c1C[N@@H+](C)CC3)CCCC2 ZINC001552756083 1075139982 /nfs/dbraw/zinc/13/99/82/1075139982.db2.gz JJSOVAWKCUSGHD-GOSISDBHSA-N 1 3 370.497 2.903 20 0 FFADHO C[C@@H]1C[NH+](CC2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C[C@@H](C)O1 ZINC001552919446 1075172491 /nfs/dbraw/zinc/17/24/91/1075172491.db2.gz MWIMMPNKVGXUGI-CBGDNZLLSA-N 1 3 371.525 2.569 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553425288 1075305056 /nfs/dbraw/zinc/30/50/56/1075305056.db2.gz FSWUNSAJYVWEEK-VAMGGRTRSA-N 1 3 356.514 2.607 20 0 FFADHO O=C1NCCC12CC[NH+](CCCN1CCC(Cc3ccccc3)CC1)CC2 ZINC001560119771 1076230330 /nfs/dbraw/zinc/23/03/30/1076230330.db2.gz TVSNCGRFZACKOR-UHFFFAOYSA-N 1 3 369.553 2.933 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001563513129 1076561601 /nfs/dbraw/zinc/56/16/01/1076561601.db2.gz OWFXYNYXXQBLIE-PCCBWWKXSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001563513129 1076561604 /nfs/dbraw/zinc/56/16/04/1076561604.db2.gz OWFXYNYXXQBLIE-PCCBWWKXSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001563661690 1076574215 /nfs/dbraw/zinc/57/42/15/1076574215.db2.gz IMOHFAOGLDZKPB-INDMIFKZSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001563661690 1076574219 /nfs/dbraw/zinc/57/42/19/1076574219.db2.gz IMOHFAOGLDZKPB-INDMIFKZSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001565972780 1076820583 /nfs/dbraw/zinc/82/05/83/1076820583.db2.gz KPRUDHYHIWJNIO-VYDXJSESSA-N 1 3 368.472 2.994 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001566053161 1076880441 /nfs/dbraw/zinc/88/04/41/1076880441.db2.gz UALSHYDHGICNRO-KSZLIROESA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001566053161 1076880448 /nfs/dbraw/zinc/88/04/48/1076880448.db2.gz UALSHYDHGICNRO-KSZLIROESA-N 1 3 371.516 2.934 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001566338650 1076948155 /nfs/dbraw/zinc/94/81/55/1076948155.db2.gz PQWQVIMHWKRCCI-XPSJOHQASA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001566338650 1076948162 /nfs/dbraw/zinc/94/81/62/1076948162.db2.gz PQWQVIMHWKRCCI-XPSJOHQASA-N 1 3 355.526 2.886 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cc(C)ns2)CC(C)C)CC[N@@H+]1C ZINC001568328829 1077086789 /nfs/dbraw/zinc/08/67/89/1077086789.db2.gz KWAPZFBMOFSAHU-RYQLBKOJSA-N 1 3 366.575 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cc(C)ns2)CC(C)C)CC[N@H+]1C ZINC001568328829 1077086794 /nfs/dbraw/zinc/08/67/94/1077086794.db2.gz KWAPZFBMOFSAHU-RYQLBKOJSA-N 1 3 366.575 2.802 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1)[NH+]1CCCCCC1 ZINC001570505731 1077211591 /nfs/dbraw/zinc/21/15/91/1077211591.db2.gz QYMJNOBSHFUUMT-NRSPTQNISA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)N1CCCCCC1 ZINC001570505731 1077211595 /nfs/dbraw/zinc/21/15/95/1077211595.db2.gz QYMJNOBSHFUUMT-NRSPTQNISA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)N1CCCCCC1 ZINC001570505731 1077211597 /nfs/dbraw/zinc/21/15/97/1077211597.db2.gz QYMJNOBSHFUUMT-NRSPTQNISA-N 1 3 355.526 2.984 20 0 FFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422894947 513968361 /nfs/dbraw/zinc/96/83/61/513968361.db2.gz DQOJMKILNUFZBF-JKIFEVAISA-N 1 3 352.320 2.992 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449076884 514061459 /nfs/dbraw/zinc/06/14/59/514061459.db2.gz ITUQQPIFXZVWPN-CYBMUJFWSA-N 1 3 358.299 2.704 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170873 514068109 /nfs/dbraw/zinc/06/81/09/514068109.db2.gz MZMVZNVJAGUJPH-XYPHTWIQSA-N 1 3 373.310 2.989 20 0 FFADHO CC[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000117487591 250348624 /nfs/dbraw/zinc/34/86/24/250348624.db2.gz GMHOOOUWISJDKZ-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N2CCCC2)cc1 ZINC000129784559 250859128 /nfs/dbraw/zinc/85/91/28/250859128.db2.gz GDJPMBPVXOWANR-UYAOXDASSA-N 1 3 358.530 2.725 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000153590705 251152608 /nfs/dbraw/zinc/15/26/08/251152608.db2.gz HNJNWLRSMDEXDJ-LNCBFAARSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000153590705 251152612 /nfs/dbraw/zinc/15/26/12/251152612.db2.gz HNJNWLRSMDEXDJ-LNCBFAARSA-N 1 3 360.420 2.763 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000173557320 251206634 /nfs/dbraw/zinc/20/66/34/251206634.db2.gz AZJBFZHCBALXOP-HXUWFJFHSA-N 1 3 356.514 2.684 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000268815252 251392488 /nfs/dbraw/zinc/39/24/88/251392488.db2.gz ICZWSFHNDZCAJH-NVXWUHKLSA-N 1 3 366.502 2.636 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268804249 251388763 /nfs/dbraw/zinc/38/87/63/251388763.db2.gz IOSTUPWXTTYODS-IRLDBZIGSA-N 1 3 358.574 2.657 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000272889745 252157391 /nfs/dbraw/zinc/15/73/91/252157391.db2.gz ZBXGUNUWMPUKJH-MSOLQXFVSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000272889745 252157395 /nfs/dbraw/zinc/15/73/95/252157395.db2.gz ZBXGUNUWMPUKJH-MSOLQXFVSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000273471195 252312992 /nfs/dbraw/zinc/31/29/92/252312992.db2.gz ONCDGBQYRZXGJZ-FXAWDEMLSA-N 1 3 360.546 2.531 20 0 FFADHO CC1(C)CN(Cc2cccc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@@H]1O ZINC000275412764 256002356 /nfs/dbraw/zinc/00/23/56/256002356.db2.gz GHUHGFBXKPPTDP-PMACEKPBSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)CN(Cc2cccc(C[N@H+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@@H]1O ZINC000275412764 256002359 /nfs/dbraw/zinc/00/23/59/256002359.db2.gz GHUHGFBXKPPTDP-PMACEKPBSA-N 1 3 360.542 2.872 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000276279875 256086190 /nfs/dbraw/zinc/08/61/90/256086190.db2.gz ZHHXKCIZMLPTHK-UHFFFAOYSA-N 1 3 361.534 2.634 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)CC1 ZINC000276494807 256104860 /nfs/dbraw/zinc/10/48/60/256104860.db2.gz PAKCRTBEGLNMOM-HXUWFJFHSA-N 1 3 373.545 2.562 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277381715 256191952 /nfs/dbraw/zinc/19/19/52/256191952.db2.gz WJJOAINZJJANGY-FQEVSTJZSA-N 1 3 372.557 2.773 20 0 FFADHO O=C(COc1ccccc1CNCC1CC[NH+](C2CC2)CC1)NCC1CC1 ZINC000278470053 256316304 /nfs/dbraw/zinc/31/63/04/256316304.db2.gz HACSYJKGNKXFBI-UHFFFAOYSA-N 1 3 371.525 2.556 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000278506324 256319847 /nfs/dbraw/zinc/31/98/47/256319847.db2.gz RBTQDBWIKLYRJT-HKUYNNGSSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000286356162 257033051 /nfs/dbraw/zinc/03/30/51/257033051.db2.gz YZYAALRXPHNBEM-KSZLIROESA-N 1 3 357.502 2.807 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000286554294 257042803 /nfs/dbraw/zinc/04/28/03/257042803.db2.gz ARSRNFVFOKJMCK-UHFFFAOYSA-N 1 3 364.534 2.865 20 0 FFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000286647614 257047604 /nfs/dbraw/zinc/04/76/04/257047604.db2.gz BNSPFZUATUETER-RXVVDRJESA-N 1 3 355.526 2.984 20 0 FFADHO c1ccc(N2CCN(CCCN3CC[C@@H]([NH+]4CCCCC4)C3)CC2)cc1 ZINC000286409525 257035611 /nfs/dbraw/zinc/03/56/11/257035611.db2.gz LUBLDYVCXWSXQR-JOCHJYFZSA-N 1 3 356.558 2.759 20 0 FFADHO c1ccc(N2CCN(CCC[N@@H+]3CC[C@@H](N4CCCCC4)C3)CC2)cc1 ZINC000286409525 257035612 /nfs/dbraw/zinc/03/56/12/257035612.db2.gz LUBLDYVCXWSXQR-JOCHJYFZSA-N 1 3 356.558 2.759 20 0 FFADHO c1ccc(N2CCN(CCC[N@H+]3CC[C@@H](N4CCCCC4)C3)CC2)cc1 ZINC000286409525 257035613 /nfs/dbraw/zinc/03/56/13/257035613.db2.gz LUBLDYVCXWSXQR-JOCHJYFZSA-N 1 3 356.558 2.759 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000288599839 257210261 /nfs/dbraw/zinc/21/02/61/257210261.db2.gz YNQIMCWNJUOUQK-WIYYLYMNSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000289738536 257296320 /nfs/dbraw/zinc/29/63/20/257296320.db2.gz GZCZEEYWWMXDHN-OXQOHEQNSA-N 1 3 356.514 2.545 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000291192341 257390722 /nfs/dbraw/zinc/39/07/22/257390722.db2.gz PGURAYMASAJRHF-GOTSBHOMSA-N 1 3 371.569 2.661 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000003300911 506320519 /nfs/dbraw/zinc/32/05/19/506320519.db2.gz BVVMUEHQJIQHDI-PMACEKPBSA-N 1 3 354.498 2.891 20 0 FFADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN2CCC1CC2 ZINC000375172764 512195978 /nfs/dbraw/zinc/19/59/78/512195978.db2.gz GFQNUCBNPUMDGM-VCSGRIEYSA-N 1 3 368.525 2.672 20 0 FFADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN2CCC1CC2 ZINC000375172764 512195983 /nfs/dbraw/zinc/19/59/83/512195983.db2.gz GFQNUCBNPUMDGM-VCSGRIEYSA-N 1 3 368.525 2.672 20 0 FFADHO N[C@@H]1CN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C[C@H]1c1ccccc1 ZINC000410084237 512199443 /nfs/dbraw/zinc/19/94/43/512199443.db2.gz ZXBQODNTQRDODW-VQTJNVASSA-N 1 3 362.477 2.557 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCN3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000375207288 512211522 /nfs/dbraw/zinc/21/15/22/512211522.db2.gz JRSNVASNDNHJQX-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC000375207288 512211528 /nfs/dbraw/zinc/21/15/28/512211528.db2.gz JRSNVASNDNHJQX-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO O=C(CN1CCCC[C@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000066155930 506431091 /nfs/dbraw/zinc/43/10/91/506431091.db2.gz KIVJOGIRSWQYFT-NRFANRHFSA-N 1 3 355.526 2.827 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000066196416 506446323 /nfs/dbraw/zinc/44/63/23/506446323.db2.gz YNYPUKOMMFEVPS-HNNXBMFYSA-N 1 3 370.488 2.768 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000066196416 506446325 /nfs/dbraw/zinc/44/63/25/506446325.db2.gz YNYPUKOMMFEVPS-HNNXBMFYSA-N 1 3 370.488 2.768 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373349163 512286127 /nfs/dbraw/zinc/28/61/27/512286127.db2.gz HBTAFYPAQOHGJC-SFHVURJKSA-N 1 3 353.551 2.600 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000054719281 506608831 /nfs/dbraw/zinc/60/88/31/506608831.db2.gz FNCJZFPHTNUJJU-GSEOLPGOSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000054719281 506608839 /nfs/dbraw/zinc/60/88/39/506608839.db2.gz FNCJZFPHTNUJJU-GSEOLPGOSA-N 1 3 356.514 2.748 20 0 FFADHO CN(CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)Cc1ccccc1 ZINC000054760924 506615094 /nfs/dbraw/zinc/61/50/94/506615094.db2.gz XDIFHBHQOXCDKR-OAQYLSRUSA-N 1 3 368.525 2.591 20 0 FFADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000043037464 506688507 /nfs/dbraw/zinc/68/85/07/506688507.db2.gz ZLLHDBWQSKAJBQ-FQEVSTJZSA-N 1 3 358.530 2.873 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000045758384 507014732 /nfs/dbraw/zinc/01/47/32/507014732.db2.gz JRBXCICLUOMCRQ-LEWJYISDSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000045758384 507014737 /nfs/dbraw/zinc/01/47/37/507014737.db2.gz JRBXCICLUOMCRQ-LEWJYISDSA-N 1 3 370.541 2.885 20 0 FFADHO CCc1noc(C2CCC([NH2+]Cc3ccncc3OCCN(C)C)CC2)n1 ZINC000377565617 512329350 /nfs/dbraw/zinc/32/93/50/512329350.db2.gz QPRISLYBHTZPPD-UHFFFAOYSA-N 1 3 373.501 2.783 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)C1 ZINC000047885514 507407922 /nfs/dbraw/zinc/40/79/22/507407922.db2.gz NBCWMHWWCGFAOO-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)C1 ZINC000047885514 507407928 /nfs/dbraw/zinc/40/79/28/507407928.db2.gz NBCWMHWWCGFAOO-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797473 507713370 /nfs/dbraw/zinc/71/33/70/507713370.db2.gz COIJGJJUSNTDDJ-INIZCTEOSA-N 1 3 361.505 2.679 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(OC(F)F)c3)CC2)CC1 ZINC000050802105 507716107 /nfs/dbraw/zinc/71/61/07/507716107.db2.gz DSINCZUIEDOZQT-UHFFFAOYSA-N 1 3 367.440 2.576 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](Cc3ccc(C)cc3)C2)CC1 ZINC000051064007 507736721 /nfs/dbraw/zinc/73/67/21/507736721.db2.gz RXRTWGAFPDUZBL-FQEVSTJZSA-N 1 3 357.542 2.850 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000063914454 507779882 /nfs/dbraw/zinc/77/98/82/507779882.db2.gz ZOGGYMKXGCESAX-UHFFFAOYSA-N 1 3 350.466 2.640 20 0 FFADHO C[C@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000078724298 507900766 /nfs/dbraw/zinc/90/07/66/507900766.db2.gz WXYXCKZQEDXSQG-CEXWTWQISA-N 1 3 365.562 2.599 20 0 FFADHO COc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000090038835 507903858 /nfs/dbraw/zinc/90/38/58/507903858.db2.gz GYYYRAVHLUWFEA-HNNXBMFYSA-N 1 3 373.472 2.977 20 0 FFADHO O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)CN1CCCC1 ZINC000091306451 507979516 /nfs/dbraw/zinc/97/95/16/507979516.db2.gz UGJCPDHDAVKIGI-IRXDYDNUSA-N 1 3 353.304 2.947 20 0 FFADHO CC(C)[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[NH+]1CCCC1 ZINC000091744332 508006713 /nfs/dbraw/zinc/00/67/13/508006713.db2.gz HSZNYXNGKZJMSR-HXUWFJFHSA-N 1 3 373.545 2.718 20 0 FFADHO CN1CCC(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CC1 ZINC000074349749 508014702 /nfs/dbraw/zinc/01/47/02/508014702.db2.gz YZISYCQIKXLDLC-UHFFFAOYSA-N 1 3 362.493 2.636 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000110654442 508039455 /nfs/dbraw/zinc/03/94/55/508039455.db2.gz XGONVLZGSLAZFR-NQIIRXRSSA-N 1 3 357.542 2.788 20 0 FFADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000110654442 508039456 /nfs/dbraw/zinc/03/94/56/508039456.db2.gz XGONVLZGSLAZFR-NQIIRXRSSA-N 1 3 357.542 2.788 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1OC ZINC000092103554 508043748 /nfs/dbraw/zinc/04/37/48/508043748.db2.gz BXPOGWQLYPWROW-INIZCTEOSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1OC ZINC000092103554 508043750 /nfs/dbraw/zinc/04/37/50/508043750.db2.gz BXPOGWQLYPWROW-INIZCTEOSA-N 1 3 366.481 2.714 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000111491233 508104301 /nfs/dbraw/zinc/10/43/01/508104301.db2.gz GIGRMWOZOXEIPS-SFTDATJTSA-N 1 3 372.557 2.725 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000111491233 508104302 /nfs/dbraw/zinc/10/43/02/508104302.db2.gz GIGRMWOZOXEIPS-SFTDATJTSA-N 1 3 372.557 2.725 20 0 FFADHO C[N@H+](CCCNC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 ZINC000081246510 508150483 /nfs/dbraw/zinc/15/04/83/508150483.db2.gz XKKLVJAUVUXVCB-UHFFFAOYSA-N 1 3 365.562 2.792 20 0 FFADHO C[N@@H+](CCCNC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 ZINC000081246510 508150484 /nfs/dbraw/zinc/15/04/84/508150484.db2.gz XKKLVJAUVUXVCB-UHFFFAOYSA-N 1 3 365.562 2.792 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000112437395 508185825 /nfs/dbraw/zinc/18/58/25/508185825.db2.gz NOVUWFZOVVHWTI-UHFFFAOYSA-N 1 3 360.546 2.991 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000112437395 508185826 /nfs/dbraw/zinc/18/58/26/508185826.db2.gz NOVUWFZOVVHWTI-UHFFFAOYSA-N 1 3 360.546 2.991 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000101518536 508242201 /nfs/dbraw/zinc/24/22/01/508242201.db2.gz VJHVEWGWUYHBIO-HNNXBMFYSA-N 1 3 360.477 2.795 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000101518536 508242202 /nfs/dbraw/zinc/24/22/02/508242202.db2.gz VJHVEWGWUYHBIO-HNNXBMFYSA-N 1 3 360.477 2.795 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000101975479 508262406 /nfs/dbraw/zinc/26/24/06/508262406.db2.gz XXLDZOATDVSFCP-MRXNPFEDSA-N 1 3 350.532 2.669 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000101975479 508262410 /nfs/dbraw/zinc/26/24/10/508262410.db2.gz XXLDZOATDVSFCP-MRXNPFEDSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[N@H+](C)C1CC1 ZINC000105083583 508359714 /nfs/dbraw/zinc/35/97/14/508359714.db2.gz KWJNSBZWXONLOZ-GDBMZVCRSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[N@@H+](C)C1CC1 ZINC000105083583 508359716 /nfs/dbraw/zinc/35/97/16/508359716.db2.gz KWJNSBZWXONLOZ-GDBMZVCRSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(C)C1CC1 ZINC000105094083 508360166 /nfs/dbraw/zinc/36/01/66/508360166.db2.gz UNMXBFTUPNACMN-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]1CN1CCCCC1)C[NH+]1CCCCC1 ZINC000105167715 508363846 /nfs/dbraw/zinc/36/38/46/508363846.db2.gz WIWIGWZEENGZRN-RTBURBONSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C1CC1 ZINC000105270062 508367713 /nfs/dbraw/zinc/36/77/13/508367713.db2.gz PUTSXYCNLUYJRE-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[N@H+](C)C2CCCC2)o1 ZINC000105293862 508369259 /nfs/dbraw/zinc/36/92/59/508369259.db2.gz NSFLFNNXJOAFHD-UHFFFAOYSA-N 1 3 350.507 2.536 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[N@@H+](C)C2CCCC2)o1 ZINC000105293862 508369261 /nfs/dbraw/zinc/36/92/61/508369261.db2.gz NSFLFNNXJOAFHD-UHFFFAOYSA-N 1 3 350.507 2.536 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000088478528 508372198 /nfs/dbraw/zinc/37/21/98/508372198.db2.gz VCNFZFBTCNGQFU-UHFFFAOYSA-N 1 3 350.507 2.662 20 0 FFADHO CN1CCC[N@H+](CCCNCc2ccccc2OCc2cccnc2)CC1 ZINC000105476527 508374256 /nfs/dbraw/zinc/37/42/56/508374256.db2.gz YZOGOEBIGNWRKJ-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2ccccc2OCc2cccnc2)CC1 ZINC000105476527 508374259 /nfs/dbraw/zinc/37/42/59/508374259.db2.gz YZOGOEBIGNWRKJ-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000115628269 508418303 /nfs/dbraw/zinc/41/83/03/508418303.db2.gz IUKGSEOKKDAECH-DNVCBOLYSA-N 1 3 359.518 2.503 20 0 FFADHO Cc1cccc([C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(F)(F)F)c1 ZINC000133664556 508431644 /nfs/dbraw/zinc/43/16/44/508431644.db2.gz SWCVPILRVYFKFS-MRXNPFEDSA-N 1 3 374.451 2.733 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000115785707 508436969 /nfs/dbraw/zinc/43/69/69/508436969.db2.gz JCSBUHXVUWPSGT-UYAOXDASSA-N 1 3 360.546 2.835 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000115785707 508436973 /nfs/dbraw/zinc/43/69/73/508436973.db2.gz JCSBUHXVUWPSGT-UYAOXDASSA-N 1 3 360.546 2.835 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000115795657 508438059 /nfs/dbraw/zinc/43/80/59/508438059.db2.gz RAJOWOLFSPVDOD-HXUWFJFHSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000127437365 508449419 /nfs/dbraw/zinc/44/94/19/508449419.db2.gz WJMDRGICOIFIFW-KRWDZBQOSA-N 1 3 362.518 2.760 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000134024730 508482568 /nfs/dbraw/zinc/48/25/68/508482568.db2.gz PXVUYIFFIAHWCK-BXWFABGCSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000134024730 508482572 /nfs/dbraw/zinc/48/25/72/508482572.db2.gz PXVUYIFFIAHWCK-BXWFABGCSA-N 1 3 371.529 2.531 20 0 FFADHO CC1(C)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000134262133 508514080 /nfs/dbraw/zinc/51/40/80/508514080.db2.gz PACQFHNPKUWPON-HXUWFJFHSA-N 1 3 355.526 2.855 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000116561045 508530104 /nfs/dbraw/zinc/53/01/04/508530104.db2.gz IMFCFDVUCHYZOS-YLJYHZDGSA-N 1 3 358.530 2.948 20 0 FFADHO COc1ccc(COC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134938218 508576767 /nfs/dbraw/zinc/57/67/67/508576767.db2.gz LLIQAZGVBDNTFE-SYYKKAFVSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccc(COC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134938218 508576772 /nfs/dbraw/zinc/57/67/72/508576772.db2.gz LLIQAZGVBDNTFE-SYYKKAFVSA-N 1 3 374.525 2.521 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000157671187 508595535 /nfs/dbraw/zinc/59/55/35/508595535.db2.gz ATYSHFQBIPHTRV-HXUWFJFHSA-N 1 3 360.546 2.581 20 0 FFADHO CC[C@@H](C)NC(=O)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000123132069 508641589 /nfs/dbraw/zinc/64/15/89/508641589.db2.gz HAFWQOUYQCYEFK-QGZVFWFLSA-N 1 3 360.546 2.611 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000123343409 508672945 /nfs/dbraw/zinc/67/29/45/508672945.db2.gz NIUHYHZNKGQXMA-FPOVZHCZSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000123343409 508672950 /nfs/dbraw/zinc/67/29/50/508672950.db2.gz NIUHYHZNKGQXMA-FPOVZHCZSA-N 1 3 370.541 2.907 20 0 FFADHO CCN(CC)CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000136693104 508709863 /nfs/dbraw/zinc/70/98/63/508709863.db2.gz FOFUECCBAFNGSI-UHFFFAOYSA-N 1 3 367.921 2.641 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccc(F)c1)C[NH+]1CCCC1 ZINC000129382623 508720524 /nfs/dbraw/zinc/72/05/24/508720524.db2.gz GQAVJEOHSIZJAH-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000137850005 508765678 /nfs/dbraw/zinc/76/56/78/508765678.db2.gz IINUXEWWSZHEAC-DZFGPLHGSA-N 1 3 373.541 2.559 20 0 FFADHO C[C@@H](Cn1cccn1)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000138759399 508779162 /nfs/dbraw/zinc/77/91/62/508779162.db2.gz HQVFICVCGZXQHZ-IBGZPJMESA-N 1 3 356.514 2.933 20 0 FFADHO COC[C@H](Cc1ccccc1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124703662 508872327 /nfs/dbraw/zinc/87/23/27/508872327.db2.gz WXMJXYQCHRGGFL-NRFANRHFSA-N 1 3 359.558 2.784 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000131099349 508887251 /nfs/dbraw/zinc/88/72/51/508887251.db2.gz GXGUNZPRKJBFOH-GHTZIAJQSA-N 1 3 370.541 2.915 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000131099349 508887253 /nfs/dbraw/zinc/88/72/53/508887253.db2.gz GXGUNZPRKJBFOH-GHTZIAJQSA-N 1 3 370.541 2.915 20 0 FFADHO COc1ccc(CNC(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000124871069 508897621 /nfs/dbraw/zinc/89/76/21/508897621.db2.gz NYRDANHNVJSTFG-IBGZPJMESA-N 1 3 359.514 2.508 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000150944063 508927940 /nfs/dbraw/zinc/92/79/40/508927940.db2.gz BNBUJCLMQCZFIJ-FQEVSTJZSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000150944063 508927941 /nfs/dbraw/zinc/92/79/41/508927941.db2.gz BNBUJCLMQCZFIJ-FQEVSTJZSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000120175850 508943894 /nfs/dbraw/zinc/94/38/94/508943894.db2.gz CFYSLSWVKNHSMK-UHFFFAOYSA-N 1 3 366.481 2.572 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000151122493 508961486 /nfs/dbraw/zinc/96/14/86/508961486.db2.gz WTILCQSIXALAKK-HOTGVXAUSA-N 1 3 353.532 2.831 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120719516 509052015 /nfs/dbraw/zinc/05/20/15/509052015.db2.gz WLPDZKHHCHSLTP-HXUWFJFHSA-N 1 3 359.514 2.704 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000155751426 509065076 /nfs/dbraw/zinc/06/50/76/509065076.db2.gz OJSLJEKJWQFABM-IAGOWNOFSA-N 1 3 373.520 2.996 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182402332 509218894 /nfs/dbraw/zinc/21/88/94/509218894.db2.gz XOCTZDHRXVBNJS-FGTMMUONSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182402332 509218903 /nfs/dbraw/zinc/21/89/03/509218903.db2.gz XOCTZDHRXVBNJS-FGTMMUONSA-N 1 3 350.551 2.813 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248122645 509238667 /nfs/dbraw/zinc/23/86/67/509238667.db2.gz UQWCVSIADFEQFE-LEWJYISDSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H]1CCCCN1Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000182449152 509243734 /nfs/dbraw/zinc/24/37/34/509243734.db2.gz QHFQQLZKBZOAPI-QFBILLFUSA-N 1 3 350.528 2.728 20 0 FFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(=O)N1CCCCC1 ZINC000248416724 509306680 /nfs/dbraw/zinc/30/66/80/509306680.db2.gz QAWCDTOLDYRBDF-OYNPSCLESA-N 1 3 355.526 2.888 20 0 FFADHO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000248457033 509328805 /nfs/dbraw/zinc/32/88/05/509328805.db2.gz SSMSJYYQUMXBBV-FGZHOGPDSA-N 1 3 354.494 2.601 20 0 FFADHO Cc1nc(C)c(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000172983944 509336417 /nfs/dbraw/zinc/33/64/17/509336417.db2.gz XGTJSCSGGIEDGS-UHFFFAOYSA-N 1 3 366.575 2.676 20 0 FFADHO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185747095 509336725 /nfs/dbraw/zinc/33/67/25/509336725.db2.gz GKDWPCVKUOZKJW-IAGOWNOFSA-N 1 3 369.509 2.915 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179260090 509344912 /nfs/dbraw/zinc/34/49/12/509344912.db2.gz QOGXEBIVGNROIJ-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO CC[C@H](Oc1ccccc1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176289567 509424927 /nfs/dbraw/zinc/42/49/27/509424927.db2.gz YYOPKTCBADZMRM-FQEVSTJZSA-N 1 3 373.541 2.827 20 0 FFADHO COc1cc2c(c(CN(C)CC3CC[NH+](C[C@@H](C)O)CC3)c1)O[C@@H](C)C2 ZINC000179515005 509490489 /nfs/dbraw/zinc/49/04/89/509490489.db2.gz ZNVNTTFBLARMGS-CVEARBPZSA-N 1 3 362.514 2.543 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000267476031 509505260 /nfs/dbraw/zinc/50/52/60/509505260.db2.gz YJOOFYRKIYVHJW-NRSPTQNISA-N 1 3 368.525 2.553 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000267476031 509505267 /nfs/dbraw/zinc/50/52/67/509505267.db2.gz YJOOFYRKIYVHJW-NRSPTQNISA-N 1 3 368.525 2.553 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236829727 509512926 /nfs/dbraw/zinc/51/29/26/509512926.db2.gz FRFYTNOEVXGKTB-ZBFHGGJFSA-N 1 3 357.420 2.814 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000236846688 509517252 /nfs/dbraw/zinc/51/72/52/509517252.db2.gz NNSWUVVMVDHBAV-VCSGRIEYSA-N 1 3 370.541 2.683 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@]2(C)CCCCN2)ccc1OC ZINC000236878236 509522563 /nfs/dbraw/zinc/52/25/63/509522563.db2.gz PRVQZTHQYYVCEF-FQEVSTJZSA-N 1 3 363.502 2.887 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248884444 509527094 /nfs/dbraw/zinc/52/70/94/509527094.db2.gz LRNJXXDKHOIRFQ-MZADTFQBSA-N 1 3 357.542 2.882 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248884444 509527104 /nfs/dbraw/zinc/52/71/04/509527104.db2.gz LRNJXXDKHOIRFQ-MZADTFQBSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)CN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000179679560 509570125 /nfs/dbraw/zinc/57/01/25/509570125.db2.gz NMGVJWWSAPQRIY-UHFFFAOYSA-N 1 3 358.574 2.991 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000176606569 509607378 /nfs/dbraw/zinc/60/73/78/509607378.db2.gz TWHRPYQNIYGPCV-DLBZAZTESA-N 1 3 350.507 2.534 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000192751139 509627570 /nfs/dbraw/zinc/62/75/70/509627570.db2.gz OMIOWDALBWHDER-QHCPKHFHSA-N 1 3 372.601 2.999 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000192751139 509627574 /nfs/dbraw/zinc/62/75/74/509627574.db2.gz OMIOWDALBWHDER-QHCPKHFHSA-N 1 3 372.601 2.999 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000186321406 509644916 /nfs/dbraw/zinc/64/49/16/509644916.db2.gz ZIXYOEMDHXRZKE-OAQYLSRUSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173563890 509654872 /nfs/dbraw/zinc/65/48/72/509654872.db2.gz GPZBXVXVOQAGAI-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173563890 509654873 /nfs/dbraw/zinc/65/48/73/509654873.db2.gz GPZBXVXVOQAGAI-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CC1 ZINC000183230002 509668457 /nfs/dbraw/zinc/66/84/57/509668457.db2.gz ABQAEHHBLRGFOR-WOJBJXKFSA-N 1 3 364.578 2.870 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000268011259 509715802 /nfs/dbraw/zinc/71/58/02/509715802.db2.gz USKDDEXCWXGAKK-HXUWFJFHSA-N 1 3 361.530 2.759 20 0 FFADHO CC1CCN(C2CCC([NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)CC1 ZINC000183383268 509751852 /nfs/dbraw/zinc/75/18/52/509751852.db2.gz GUYBNJBEQMADSR-BTRQGYIVSA-N 1 3 356.576 2.975 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000193069256 509763856 /nfs/dbraw/zinc/76/38/56/509763856.db2.gz WDVWHMVIQJPWGF-HXUWFJFHSA-N 1 3 358.530 2.807 20 0 FFADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000237904929 509770392 /nfs/dbraw/zinc/77/03/92/509770392.db2.gz VRWAFXQZOKOEQO-HXUWFJFHSA-N 1 3 368.525 2.547 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000268140013 509776109 /nfs/dbraw/zinc/77/61/09/509776109.db2.gz QTAMOPNBAISQKP-JXFKEZNVSA-N 1 3 356.514 2.564 20 0 FFADHO C[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000186584115 509786377 /nfs/dbraw/zinc/78/63/77/509786377.db2.gz SXXMKFIMHIIBJL-IOMROCGXSA-N 1 3 366.509 2.888 20 0 FFADHO [NH3+]Cc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000238015320 509799961 /nfs/dbraw/zinc/79/99/61/509799961.db2.gz VTFGBAXCZJTCRA-UHFFFAOYSA-N 1 3 352.482 2.686 20 0 FFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000238023199 509800937 /nfs/dbraw/zinc/80/09/37/509800937.db2.gz NDRQVUQPNBMLOK-NRFANRHFSA-N 1 3 351.494 2.947 20 0 FFADHO N[C@@H](CC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000186618071 509804071 /nfs/dbraw/zinc/80/40/71/509804071.db2.gz NIEODOVWFZCYHA-PMACEKPBSA-N 1 3 352.482 2.642 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000173863361 509822361 /nfs/dbraw/zinc/82/23/61/509822361.db2.gz DSUKOHZGOIPTRJ-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000173863361 509822369 /nfs/dbraw/zinc/82/23/69/509822369.db2.gz DSUKOHZGOIPTRJ-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958784 509876188 /nfs/dbraw/zinc/87/61/88/509876188.db2.gz PFRXOKVOPFVTEG-GBESFXJTSA-N 1 3 365.562 2.741 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000265154979 509892147 /nfs/dbraw/zinc/89/21/47/509892147.db2.gz ZVFOHQRNSFNEEK-LJQANCHMSA-N 1 3 374.573 2.532 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000265154979 509892153 /nfs/dbraw/zinc/89/21/53/509892153.db2.gz ZVFOHQRNSFNEEK-LJQANCHMSA-N 1 3 374.573 2.532 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000265154976 509892174 /nfs/dbraw/zinc/89/21/74/509892174.db2.gz ZVFOHQRNSFNEEK-IBGZPJMESA-N 1 3 374.573 2.532 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000265154976 509892177 /nfs/dbraw/zinc/89/21/77/509892177.db2.gz ZVFOHQRNSFNEEK-IBGZPJMESA-N 1 3 374.573 2.532 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245397480 509901726 /nfs/dbraw/zinc/90/17/26/509901726.db2.gz PLCZDCWBDKCJJW-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000268407084 509909339 /nfs/dbraw/zinc/90/93/39/509909339.db2.gz GFOGYCLTJZOFAR-UHFFFAOYSA-N 1 3 360.420 2.953 20 0 FFADHO CN(C)CC[NH+]1CCC(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180452449 509931399 /nfs/dbraw/zinc/93/13/99/509931399.db2.gz CXGLVANDMLLAQY-OAQYLSRUSA-N 1 3 373.520 2.512 20 0 FFADHO C[NH2+][C@@H](C)Cc1noc([C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000261629149 510006020 /nfs/dbraw/zinc/00/60/20/510006020.db2.gz CJAUXZMRJBKDDJ-GUYCJALGSA-N 1 3 368.403 2.926 20 0 FFADHO Cc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccc1-n1cncn1 ZINC000174316438 510054471 /nfs/dbraw/zinc/05/44/71/510054471.db2.gz ODPPSPZFGNYJNE-ROUUACIJSA-N 1 3 357.502 2.555 20 0 FFADHO CCc1cccc(Cl)c1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261809278 510073820 /nfs/dbraw/zinc/07/38/20/510073820.db2.gz HNMPZSYGGKCZQP-DNVCBOLYSA-N 1 3 363.933 2.983 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Br)c(F)c2)CC1 ZINC000268700466 510076923 /nfs/dbraw/zinc/07/69/23/510076923.db2.gz VAXARXLAFIKMSC-UHFFFAOYSA-N 1 3 359.283 2.913 20 0 FFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000268886990 510119552 /nfs/dbraw/zinc/11/95/52/510119552.db2.gz CRINUABBZNGCFX-CQSZACIVSA-N 1 3 353.894 2.951 20 0 FFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000268886990 510119562 /nfs/dbraw/zinc/11/95/62/510119562.db2.gz CRINUABBZNGCFX-CQSZACIVSA-N 1 3 353.894 2.951 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000268909059 510130631 /nfs/dbraw/zinc/13/06/31/510130631.db2.gz SMIJKXDTMGCNBX-UNMCSNQZSA-N 1 3 358.574 2.514 20 0 FFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261972911 510133758 /nfs/dbraw/zinc/13/37/58/510133758.db2.gz QUBWFVGYKFJDGL-ZCNNSNEGSA-N 1 3 361.555 2.804 20 0 FFADHO Fc1ccccc1COc1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262101097 510176956 /nfs/dbraw/zinc/17/69/56/510176956.db2.gz IVBTYAAQFSWIJV-FQEVSTJZSA-N 1 3 369.484 2.884 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000269000073 510186762 /nfs/dbraw/zinc/18/67/62/510186762.db2.gz OTKVAQZWMRBART-HNNXBMFYSA-N 1 3 369.303 2.709 20 0 FFADHO C[C@H](CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000262135413 510188369 /nfs/dbraw/zinc/18/83/69/510188369.db2.gz ONTASQRWRPTIIY-RHSMWYFYSA-N 1 3 352.320 2.532 20 0 FFADHO C[C@H](CN1CC[C@H](N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000262135410 510188489 /nfs/dbraw/zinc/18/84/89/510188489.db2.gz ONTASQRWRPTIIY-PBHICJAKSA-N 1 3 352.320 2.532 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000245897779 510192752 /nfs/dbraw/zinc/19/27/52/510192752.db2.gz KRVXEBWPTKFPJU-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000245897779 510192759 /nfs/dbraw/zinc/19/27/59/510192759.db2.gz KRVXEBWPTKFPJU-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245898373 510195465 /nfs/dbraw/zinc/19/54/65/510195465.db2.gz RGXRBRILCBUKJI-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245898373 510195473 /nfs/dbraw/zinc/19/54/73/510195473.db2.gz RGXRBRILCBUKJI-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CN1Cc1ccccc1 ZINC000246046777 510261786 /nfs/dbraw/zinc/26/17/86/510261786.db2.gz XRAHSPOLKMBZJL-AYWYSENESA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CN1Cc1ccccc1 ZINC000246046777 510261795 /nfs/dbraw/zinc/26/17/95/510261795.db2.gz XRAHSPOLKMBZJL-AYWYSENESA-N 1 3 370.541 2.775 20 0 FFADHO COCC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000262390449 510265024 /nfs/dbraw/zinc/26/50/24/510265024.db2.gz PJOIWFWQBDWSFQ-QUCCMNQESA-N 1 3 373.541 2.514 20 0 FFADHO C[C@H](C(=O)Nc1cccc2ccccc21)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174713593 510266211 /nfs/dbraw/zinc/26/62/11/510266211.db2.gz XCYXZLPSIMDTOE-GOSISDBHSA-N 1 3 368.525 2.736 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1cccs1 ZINC000246101324 510293698 /nfs/dbraw/zinc/29/36/98/510293698.db2.gz HFLXLVBJFXIAQK-JZXOWHBKSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246120975 510305297 /nfs/dbraw/zinc/30/52/97/510305297.db2.gz IJDJDAXAGZVGDO-RDGPPVDQSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246120975 510305308 /nfs/dbraw/zinc/30/53/08/510305308.db2.gz IJDJDAXAGZVGDO-RDGPPVDQSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000262604608 510333110 /nfs/dbraw/zinc/33/31/10/510333110.db2.gz YQVTZOUSEQSLLN-BBTUJRGHSA-N 1 3 357.542 2.915 20 0 FFADHO COc1cccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000190790940 510346317 /nfs/dbraw/zinc/34/63/17/510346317.db2.gz RYOVXQSEHIVBRN-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000178033856 510390381 /nfs/dbraw/zinc/39/03/81/510390381.db2.gz NPYWSMOIGXQIEO-KDURUIRLSA-N 1 3 360.546 2.525 20 0 FFADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1(C)C ZINC000262811298 510421985 /nfs/dbraw/zinc/42/19/85/510421985.db2.gz VEIQYNHYTKEHOY-NNMXDRDESA-N 1 3 373.541 2.690 20 0 FFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000178253379 510510997 /nfs/dbraw/zinc/51/09/97/510510997.db2.gz FGIJDZWNVABTGU-CYBMUJFWSA-N 1 3 350.894 2.916 20 0 FFADHO CC[NH+](CC)CCSCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000266352472 510535700 /nfs/dbraw/zinc/53/57/00/510535700.db2.gz XTUADKHEQFTTNK-UHFFFAOYSA-N 1 3 363.571 2.842 20 0 FFADHO NCc1cc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc(C(F)(F)F)c1 ZINC000263072548 510546500 /nfs/dbraw/zinc/54/65/00/510546500.db2.gz ZTDHKBANURTJTQ-AWEZNQCLSA-N 1 3 367.375 2.537 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000246567802 510560049 /nfs/dbraw/zinc/56/00/49/510560049.db2.gz UUWYSDKNBBMONH-LMNJBCLMSA-N 1 3 373.541 2.974 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c2)CC1 ZINC000184901601 510573065 /nfs/dbraw/zinc/57/30/65/510573065.db2.gz ZKQSQFSQWNKXOG-AZUAARDMSA-N 1 3 371.529 2.529 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)c2)CC1 ZINC000184901601 510573071 /nfs/dbraw/zinc/57/30/71/510573071.db2.gz ZKQSQFSQWNKXOG-AZUAARDMSA-N 1 3 371.529 2.529 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000263252435 510631150 /nfs/dbraw/zinc/63/11/50/510631150.db2.gz JXUHRAFUXYHSPV-FOIQADDNSA-N 1 3 368.481 2.851 20 0 FFADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000195132618 510681700 /nfs/dbraw/zinc/68/17/00/510681700.db2.gz KKFFOWKYGPZQDJ-HKUYNNGSSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000195132618 510681702 /nfs/dbraw/zinc/68/17/02/510681702.db2.gz KKFFOWKYGPZQDJ-HKUYNNGSSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@@H]1CC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000172383950 510701120 /nfs/dbraw/zinc/70/11/20/510701120.db2.gz WJMSIVQJAUJJJL-HOTGVXAUSA-N 1 3 350.551 2.669 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CCN(CCc2ccccc2)CC1 ZINC000178688997 510723751 /nfs/dbraw/zinc/72/37/51/510723751.db2.gz TWZANNHKTPZTEG-VCSGRIEYSA-N 1 3 355.526 2.730 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](CN)c1ccccc1)Cc1ccccc1 ZINC000178701342 510727892 /nfs/dbraw/zinc/72/78/92/510727892.db2.gz FMILMURVXSONSR-SFTDATJTSA-N 1 3 353.510 2.798 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C[C@@H](C)O1 ZINC000246897362 510733556 /nfs/dbraw/zinc/73/35/56/510733556.db2.gz FEEFSFYSASJCFL-GPQLQYNLSA-N 1 3 374.573 2.771 20 0 FFADHO NC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000178731223 510743131 /nfs/dbraw/zinc/74/31/31/510743131.db2.gz GFLUQEGNFAOQMF-NRFANRHFSA-N 1 3 351.494 2.757 20 0 FFADHO Cc1ccc(NC(=O)NCCC[NH+]2CCCCC2)c(OCCN(C)C)c1 ZINC000172502242 510757371 /nfs/dbraw/zinc/75/73/71/510757371.db2.gz WCEXYOOVCVZUJB-UHFFFAOYSA-N 1 3 362.518 2.933 20 0 FFADHO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1(C)C ZINC000185242966 510767994 /nfs/dbraw/zinc/76/79/94/510767994.db2.gz QJXVMNMZHNQKAT-OALUTQOASA-N 1 3 361.530 2.660 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247660083 510868062 /nfs/dbraw/zinc/86/80/62/510868062.db2.gz ZTJLEBYEBQLWBQ-AZUAARDMSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247660083 510868063 /nfs/dbraw/zinc/86/80/63/510868063.db2.gz ZTJLEBYEBQLWBQ-AZUAARDMSA-N 1 3 360.546 2.927 20 0 FFADHO CN(CCCCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285362866 510877852 /nfs/dbraw/zinc/87/78/52/510877852.db2.gz BPTPXXNIPQPFJH-SJPCQFCGSA-N 1 3 355.482 2.620 20 0 FFADHO CN(CCCCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285362866 510877859 /nfs/dbraw/zinc/87/78/59/510877859.db2.gz BPTPXXNIPQPFJH-SJPCQFCGSA-N 1 3 355.482 2.620 20 0 FFADHO c1cc(C[NH2+]C2CCN(c3ccncc3)CC2)cc(N2CCOCC2)c1 ZINC000297430201 510942534 /nfs/dbraw/zinc/94/25/34/510942534.db2.gz NETCJABBQFHWFV-UHFFFAOYSA-N 1 3 352.482 2.677 20 0 FFADHO COCC[N@H+](C)CCCN[C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285616260 510979607 /nfs/dbraw/zinc/97/96/07/510979607.db2.gz KLRYBYQIKDVYFH-OAQYLSRUSA-N 1 3 357.498 2.932 20 0 FFADHO COCC[N@@H+](C)CCCN[C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285616260 510979614 /nfs/dbraw/zinc/97/96/14/510979614.db2.gz KLRYBYQIKDVYFH-OAQYLSRUSA-N 1 3 357.498 2.932 20 0 FFADHO COCCC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)cc1 ZINC000282482507 510995025 /nfs/dbraw/zinc/99/50/25/510995025.db2.gz WYVDCNYIGZNNBR-HXUWFJFHSA-N 1 3 351.510 2.911 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CN(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1C ZINC000285662693 511001741 /nfs/dbraw/zinc/00/17/41/511001741.db2.gz ZDIYLAPBEDGQNH-ZZJWQFMZSA-N 1 3 356.514 2.571 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CN(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1C ZINC000285662693 511001743 /nfs/dbraw/zinc/00/17/43/511001743.db2.gz ZDIYLAPBEDGQNH-ZZJWQFMZSA-N 1 3 356.514 2.571 20 0 FFADHO c1ccc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCOCC2)cc1 ZINC000294278835 511012494 /nfs/dbraw/zinc/01/24/94/511012494.db2.gz SOOJXGOGJDITCG-JOCHJYFZSA-N 1 3 366.509 2.714 20 0 FFADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[C@@H]1SC ZINC000297683852 511033140 /nfs/dbraw/zinc/03/31/40/511033140.db2.gz PIJVTDLPXQFZLU-HAGHYFMRSA-N 1 3 364.555 2.642 20 0 FFADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[C@@H]1SC ZINC000297683852 511033144 /nfs/dbraw/zinc/03/31/44/511033144.db2.gz PIJVTDLPXQFZLU-HAGHYFMRSA-N 1 3 364.555 2.642 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000364725241 511044512 /nfs/dbraw/zinc/04/45/12/511044512.db2.gz ZGGALQJXFCHBKB-WSTZPKSXSA-N 1 3 354.535 2.741 20 0 FFADHO C[C@H](C(=O)N1C[C@H](CN(C)C)Oc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000361712032 511083590 /nfs/dbraw/zinc/08/35/90/511083590.db2.gz XWYQSWDWBAOPSZ-KNBMTAEXSA-N 1 3 353.466 2.678 20 0 FFADHO C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362079587 511128534 /nfs/dbraw/zinc/12/85/34/511128534.db2.gz PUYJMZXQTMSZLE-APWZRJJASA-N 1 3 351.922 2.677 20 0 FFADHO C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362079587 511128540 /nfs/dbraw/zinc/12/85/40/511128540.db2.gz PUYJMZXQTMSZLE-APWZRJJASA-N 1 3 351.922 2.677 20 0 FFADHO FC(F)(F)CN1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298093248 511172176 /nfs/dbraw/zinc/17/21/76/511172176.db2.gz MUUQVANWJMDPBU-UHFFFAOYSA-N 1 3 356.436 2.914 20 0 FFADHO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298119140 511180796 /nfs/dbraw/zinc/18/07/96/511180796.db2.gz OZYGMPCPGXGJIX-LJQANCHMSA-N 1 3 365.481 2.946 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000282998391 511194393 /nfs/dbraw/zinc/19/43/93/511194393.db2.gz QXYMQAASHQTUIF-WOJBJXKFSA-N 1 3 372.557 2.880 20 0 FFADHO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000365035414 511219081 /nfs/dbraw/zinc/21/90/81/511219081.db2.gz BIYUMHFNQWKUAA-TZIWHRDSSA-N 1 3 369.484 2.724 20 0 FFADHO O=C1[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccccc1F ZINC000298238033 511219496 /nfs/dbraw/zinc/21/94/96/511219496.db2.gz BZWSBYYXRUCICW-SFHVURJKSA-N 1 3 354.429 2.585 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000295049296 511263465 /nfs/dbraw/zinc/26/34/65/511263465.db2.gz QDHHWIMUEPXDBG-HZPDHXFCSA-N 1 3 356.919 2.720 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000295049296 511263470 /nfs/dbraw/zinc/26/34/70/511263470.db2.gz QDHHWIMUEPXDBG-HZPDHXFCSA-N 1 3 356.919 2.720 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC1CC[NH+](C)CC1 ZINC000291689738 511299129 /nfs/dbraw/zinc/29/91/29/511299129.db2.gz NWCJGKDLDVPVRE-UHFFFAOYSA-N 1 3 358.530 2.878 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](CC)CC1)c1ccsc1 ZINC000298581455 511337055 /nfs/dbraw/zinc/33/70/55/511337055.db2.gz LZRBDBNKKUOMLM-QGZVFWFLSA-N 1 3 352.548 2.915 20 0 FFADHO COc1cc2[nH+]ccc(N[C@@H](C)CCN3CCN(C)CC3)c2cc1OC ZINC000299052785 511498846 /nfs/dbraw/zinc/49/88/46/511498846.db2.gz UQFUEJMKBONFJS-HNNXBMFYSA-N 1 3 358.486 2.690 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1C ZINC000365681668 511598812 /nfs/dbraw/zinc/59/88/12/511598812.db2.gz TWYPAORIMIMVGM-VRLRAXNCSA-N 1 3 361.452 2.638 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1C ZINC000365681668 511598813 /nfs/dbraw/zinc/59/88/13/511598813.db2.gz TWYPAORIMIMVGM-VRLRAXNCSA-N 1 3 361.452 2.638 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCC3)CC2)N(C)C)cc1 ZINC000296301848 511690486 /nfs/dbraw/zinc/69/04/86/511690486.db2.gz JKQZNHKRYOQOKE-HXUWFJFHSA-N 1 3 358.530 2.914 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000292781315 511718269 /nfs/dbraw/zinc/71/82/69/511718269.db2.gz GYYIOKLWTGLHME-CTNGQTDRSA-N 1 3 356.514 2.561 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000292781315 511718276 /nfs/dbraw/zinc/71/82/76/511718276.db2.gz GYYIOKLWTGLHME-CTNGQTDRSA-N 1 3 356.514 2.561 20 0 FFADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)N(C)Cc1ccccc1 ZINC000296530720 511784104 /nfs/dbraw/zinc/78/41/04/511784104.db2.gz DMCVTLCNANSYLD-KRWDZBQOSA-N 1 3 358.530 2.823 20 0 FFADHO CCOC(=O)c1cc(CNCc2ccc(OCC[NH+](C)C)cc2)[nH]c1C ZINC000296543462 511790852 /nfs/dbraw/zinc/79/08/52/511790852.db2.gz TZWULYMVEICFOO-UHFFFAOYSA-N 1 3 359.470 2.730 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274426831 511830808 /nfs/dbraw/zinc/83/08/08/511830808.db2.gz ACZGAUKJPFVPQV-IBGZPJMESA-N 1 3 374.573 2.674 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274426831 511830815 /nfs/dbraw/zinc/83/08/15/511830815.db2.gz ACZGAUKJPFVPQV-IBGZPJMESA-N 1 3 374.573 2.674 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000293131949 511852826 /nfs/dbraw/zinc/85/28/26/511852826.db2.gz ZWWPQNONDUQGAC-UNMCSNQZSA-N 1 3 355.526 2.988 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000293131949 511852832 /nfs/dbraw/zinc/85/28/32/511852832.db2.gz ZWWPQNONDUQGAC-UNMCSNQZSA-N 1 3 355.526 2.988 20 0 FFADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(CCC4CCOCC4)CC3)C2)cc1 ZINC000293166732 511866223 /nfs/dbraw/zinc/86/62/23/511866223.db2.gz CSDGNZHJSQGPOL-JOCHJYFZSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(CCC4CCOCC4)CC3)C2)cc1 ZINC000293166732 511866227 /nfs/dbraw/zinc/86/62/27/511866227.db2.gz CSDGNZHJSQGPOL-JOCHJYFZSA-N 1 3 357.542 2.695 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363958032 511873862 /nfs/dbraw/zinc/87/38/62/511873862.db2.gz DZFUMFUKPSNXHG-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363958032 511873865 /nfs/dbraw/zinc/87/38/65/511873865.db2.gz DZFUMFUKPSNXHG-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO COCC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCOCC1 ZINC000293221113 511885701 /nfs/dbraw/zinc/88/57/01/511885701.db2.gz AKVUNMRDFNKMNH-QGZVFWFLSA-N 1 3 350.503 2.721 20 0 FFADHO Cc1nccn1CCCN1C[C@@H](C)[N@@H+](CCCn2ccnc2C)CC1(C)C ZINC000296829408 511914705 /nfs/dbraw/zinc/91/47/05/511914705.db2.gz WHTFUDYVSWHIKT-GOSISDBHSA-N 1 3 372.561 2.962 20 0 FFADHO Cc1nccn1CCCN1C[C@@H](C)[N@H+](CCCn2ccnc2C)CC1(C)C ZINC000296829408 511914709 /nfs/dbraw/zinc/91/47/09/511914709.db2.gz WHTFUDYVSWHIKT-GOSISDBHSA-N 1 3 372.561 2.962 20 0 FFADHO Cc1nccn1CCCN1CC(C)(C)[N@@H+](CCCn2ccnc2C)C[C@H]1C ZINC000296829408 511914716 /nfs/dbraw/zinc/91/47/16/511914716.db2.gz WHTFUDYVSWHIKT-GOSISDBHSA-N 1 3 372.561 2.962 20 0 FFADHO Cc1nccn1CCCN1CC(C)(C)[N@H+](CCCn2ccnc2C)C[C@H]1C ZINC000296829408 511914721 /nfs/dbraw/zinc/91/47/21/511914721.db2.gz WHTFUDYVSWHIKT-GOSISDBHSA-N 1 3 372.561 2.962 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000366454465 512032710 /nfs/dbraw/zinc/03/27/10/512032710.db2.gz XVLHISVSIXTGAG-NJDAHSKKSA-N 1 3 371.525 2.606 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000281978448 512034437 /nfs/dbraw/zinc/03/44/37/512034437.db2.gz ONSTWDXQROZHMA-HXUWFJFHSA-N 1 3 351.510 2.911 20 0 FFADHO CN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC[NH+](C)CC1 ZINC000285299712 512069216 /nfs/dbraw/zinc/06/92/16/512069216.db2.gz YCRCEZAGOGIXDK-SFHVURJKSA-N 1 3 365.468 2.696 20 0 FFADHO CS[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1N1CCCC1 ZINC000275300318 512098668 /nfs/dbraw/zinc/09/86/68/512098668.db2.gz QCQCSSLNVOFEQE-PMACEKPBSA-N 1 3 373.566 2.934 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000377912465 512508876 /nfs/dbraw/zinc/50/88/76/512508876.db2.gz SBWOEVDWTUHBBW-NRFANRHFSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000373824948 512524188 /nfs/dbraw/zinc/52/41/88/512524188.db2.gz HNTHMGUUDULAOM-QRQLOZEOSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000373824948 512524189 /nfs/dbraw/zinc/52/41/89/512524189.db2.gz HNTHMGUUDULAOM-QRQLOZEOSA-N 1 3 350.551 2.908 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc(N4CCCC4)nc3)CC2)CC1 ZINC000371863355 512608284 /nfs/dbraw/zinc/60/82/84/512608284.db2.gz HFAJGRHAPIINAC-UHFFFAOYSA-N 1 3 371.573 2.531 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCC[C@@H]2Oc2ccccc2C)CC1 ZINC000411564320 512692358 /nfs/dbraw/zinc/69/23/58/512692358.db2.gz SNTSMVJLSCXYMJ-CTNGQTDRSA-N 1 3 373.541 2.875 20 0 FFADHO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1=CCN(C)CC1 ZINC000370000019 512720939 /nfs/dbraw/zinc/72/09/39/512720939.db2.gz SIEARMUAFJURMI-RTBURBONSA-N 1 3 362.562 2.934 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000376403605 512804798 /nfs/dbraw/zinc/80/47/98/512804798.db2.gz ZTQMKHSFLRYEOA-UHFFFAOYSA-N 1 3 359.514 2.559 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000382721677 512878830 /nfs/dbraw/zinc/87/88/30/512878830.db2.gz NOEKZJXWVYHXNH-RXVVDRJESA-N 1 3 351.494 2.852 20 0 FFADHO CCOC(=O)COCCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000388565440 512896891 /nfs/dbraw/zinc/89/68/91/512896891.db2.gz AFPUZVVUNASTLC-UHFFFAOYSA-N 1 3 360.498 2.554 20 0 FFADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000411982954 512901268 /nfs/dbraw/zinc/90/12/68/512901268.db2.gz QAPOBCSZPBAQIM-RTBURBONSA-N 1 3 365.587 2.681 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368390250 512925305 /nfs/dbraw/zinc/92/53/05/512925305.db2.gz OTPXPZMMNMJKFT-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368390250 512925311 /nfs/dbraw/zinc/92/53/11/512925311.db2.gz OTPXPZMMNMJKFT-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)COC[C@@H](O)CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368388373 512925425 /nfs/dbraw/zinc/92/54/25/512925425.db2.gz QTJVUYHOWDVJRJ-PKOBYXMFSA-N 1 3 362.514 2.598 20 0 FFADHO O=C1COc2ccc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)cc2N1 ZINC000394491050 512936350 /nfs/dbraw/zinc/93/63/50/512936350.db2.gz YUHQLSWVHQCPSH-SFHVURJKSA-N 1 3 351.450 2.629 20 0 FFADHO CN(c1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(C)CC1 ZINC000370457311 512943530 /nfs/dbraw/zinc/94/35/30/512943530.db2.gz OSATUDGITZPHDY-TZIWHRDSSA-N 1 3 356.558 2.933 20 0 FFADHO CN(c1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCN(C)CC1 ZINC000370457311 512943534 /nfs/dbraw/zinc/94/35/34/512943534.db2.gz OSATUDGITZPHDY-TZIWHRDSSA-N 1 3 356.558 2.933 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000368429714 512946096 /nfs/dbraw/zinc/94/60/96/512946096.db2.gz PVSYIKJBMLTBLZ-LEWJYISDSA-N 1 3 355.526 2.889 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000376709923 512952411 /nfs/dbraw/zinc/95/24/11/512952411.db2.gz JNXFTIWRXRDNRO-YQQQUEKLSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000376709923 512952415 /nfs/dbraw/zinc/95/24/15/512952415.db2.gz JNXFTIWRXRDNRO-YQQQUEKLSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000370632491 513024695 /nfs/dbraw/zinc/02/46/95/513024695.db2.gz BEBXFDIPPYHART-MJGOQNOKSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@@H]1N1CCN(C)CC1 ZINC000370706979 513063184 /nfs/dbraw/zinc/06/31/84/513063184.db2.gz NIFFHEMPCIHCFN-PXNSSMCTSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@@H]1N1CCN(C)CC1 ZINC000370706979 513063187 /nfs/dbraw/zinc/06/31/87/513063187.db2.gz NIFFHEMPCIHCFN-PXNSSMCTSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000376976947 513075123 /nfs/dbraw/zinc/07/51/23/513075123.db2.gz HDRXUQWOUGTXPU-CMTQZCSUSA-N 1 3 358.530 2.994 20 0 FFADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417680096 513157048 /nfs/dbraw/zinc/15/70/48/513157048.db2.gz IGKGESLWTXMOOZ-PXNSSMCTSA-N 1 3 372.557 2.710 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417684117 513159347 /nfs/dbraw/zinc/15/93/47/513159347.db2.gz NLGNJQCVSJPAOB-UWVAXJGDSA-N 1 3 372.557 2.838 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCCN(C)C ZINC000439681461 513161391 /nfs/dbraw/zinc/16/13/91/513161391.db2.gz AMWCLBAYLVNEBQ-GOSISDBHSA-N 1 3 361.530 2.867 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCCN(C)C ZINC000439681461 513161400 /nfs/dbraw/zinc/16/14/00/513161400.db2.gz AMWCLBAYLVNEBQ-GOSISDBHSA-N 1 3 361.530 2.867 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC(C[NH3+])CC1 ZINC000417690680 513164481 /nfs/dbraw/zinc/16/44/81/513164481.db2.gz VYJRZNUUZVWBDD-HXUWFJFHSA-N 1 3 372.557 2.840 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417735568 513187546 /nfs/dbraw/zinc/18/75/46/513187546.db2.gz LHDXKWBVPQGJJM-GOEBONIOSA-N 1 3 352.548 2.948 20 0 FFADHO C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417743917 513191974 /nfs/dbraw/zinc/19/19/74/513191974.db2.gz MFZZTFYMELRKBD-INWMFGNUSA-N 1 3 372.435 2.735 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417743920 513192420 /nfs/dbraw/zinc/19/24/20/513192420.db2.gz MFZZTFYMELRKBD-NOLJZWGESA-N 1 3 372.435 2.735 20 0 FFADHO C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417743918 513192653 /nfs/dbraw/zinc/19/26/53/513192653.db2.gz MFZZTFYMELRKBD-IVMMDQJWSA-N 1 3 372.435 2.735 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000417745211 513194067 /nfs/dbraw/zinc/19/40/67/513194067.db2.gz ZNKKLZYNDCOYLM-MRXNPFEDSA-N 1 3 366.509 2.605 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3nsc4ccccc34)CC2)CC1 ZINC000424620933 513209367 /nfs/dbraw/zinc/20/93/67/513209367.db2.gz AEACISRLHUQNOU-UHFFFAOYSA-N 1 3 372.538 2.514 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](N)c1ccccc1 ZINC000417815326 513217986 /nfs/dbraw/zinc/21/79/86/513217986.db2.gz BVWUNVLDIBPTSV-QMMLZNLJSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H](N)c1ccccc1 ZINC000417815326 513217992 /nfs/dbraw/zinc/21/79/92/513217992.db2.gz BVWUNVLDIBPTSV-QMMLZNLJSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417823450 513222224 /nfs/dbraw/zinc/22/22/24/513222224.db2.gz KUFQYBZIKPKCKE-ZIPQSNSFSA-N 1 3 370.541 2.821 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000417827254 513224903 /nfs/dbraw/zinc/22/49/03/513224903.db2.gz PIKXHVLTMZCIAU-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000428951599 513231094 /nfs/dbraw/zinc/23/10/94/513231094.db2.gz JZPWHCOFPHVUGP-BBTUJRGHSA-N 1 3 357.542 2.834 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000421376015 513241953 /nfs/dbraw/zinc/24/19/53/513241953.db2.gz PUYVYDGLKOWVHZ-UHFFFAOYSA-N 1 3 358.530 2.637 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000421376015 513241958 /nfs/dbraw/zinc/24/19/58/513241958.db2.gz PUYVYDGLKOWVHZ-UHFFFAOYSA-N 1 3 358.530 2.637 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000421376015 513241964 /nfs/dbraw/zinc/24/19/64/513241964.db2.gz PUYVYDGLKOWVHZ-UHFFFAOYSA-N 1 3 358.530 2.637 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4cccc(C)n34)CC2)CC1 ZINC000421377370 513242086 /nfs/dbraw/zinc/24/20/86/513242086.db2.gz RJSGXINHRQFJPN-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4cccc(C)n34)CC2)CC1 ZINC000421377370 513242092 /nfs/dbraw/zinc/24/20/92/513242092.db2.gz RJSGXINHRQFJPN-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4cccc(C)n34)CC2)CC1 ZINC000421377370 513242095 /nfs/dbraw/zinc/24/20/95/513242095.db2.gz RJSGXINHRQFJPN-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CC(C)N(Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2)cc1)C[C@@H]1CCCCO1 ZINC000415413014 513248492 /nfs/dbraw/zinc/24/84/92/513248492.db2.gz YFACOBGWCLVLOU-UXHICEINSA-N 1 3 374.529 2.950 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000417912589 513272843 /nfs/dbraw/zinc/27/28/43/513272843.db2.gz OOWKOSXLJGGASY-XLIONFOSSA-N 1 3 360.546 2.916 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000417912589 513272846 /nfs/dbraw/zinc/27/28/46/513272846.db2.gz OOWKOSXLJGGASY-XLIONFOSSA-N 1 3 360.546 2.916 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000429156197 513293738 /nfs/dbraw/zinc/29/37/38/513293738.db2.gz DYXOCQQJBOPRBU-KYJSFNMBSA-N 1 3 369.431 2.637 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)c2)CC1 ZINC000415499092 513294806 /nfs/dbraw/zinc/29/48/06/513294806.db2.gz KQKVYFZRXNCTNB-HXUWFJFHSA-N 1 3 361.534 2.714 20 0 FFADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000446740048 513326954 /nfs/dbraw/zinc/32/69/54/513326954.db2.gz ABLYHHCUTBELPP-YLJYHZDGSA-N 1 3 357.502 2.740 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418015993 513335971 /nfs/dbraw/zinc/33/59/71/513335971.db2.gz QPSWYLXUPDEKEB-UYAOXDASSA-N 1 3 370.541 2.682 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000415580061 513336380 /nfs/dbraw/zinc/33/63/80/513336380.db2.gz QTVUOSCWHKXKTI-UHFFFAOYSA-N 1 3 354.498 2.826 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418021791 513337876 /nfs/dbraw/zinc/33/78/76/513337876.db2.gz AGANBDHEJVYAHR-IFMALSPDSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418032871 513343179 /nfs/dbraw/zinc/34/31/79/513343179.db2.gz MIYBFDFJUQJQAR-UFYCRDLUSA-N 1 3 360.546 2.960 20 0 FFADHO C[C@@]1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000418037525 513346966 /nfs/dbraw/zinc/34/69/66/513346966.db2.gz DKCZXPAHBYPKIQ-FPOVZHCZSA-N 1 3 358.530 2.873 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000418044385 513350993 /nfs/dbraw/zinc/35/09/93/513350993.db2.gz ZSDGREWZOUBMCT-FQEVSTJZSA-N 1 3 358.530 2.752 20 0 FFADHO CCCN(C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000418049933 513354570 /nfs/dbraw/zinc/35/45/70/513354570.db2.gz ZKZDGLSMOZGQIS-CTNGQTDRSA-N 1 3 358.530 2.825 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 ZINC000418061996 513357742 /nfs/dbraw/zinc/35/77/42/513357742.db2.gz FTCVVJKGVTZVCC-MSOLQXFVSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000421708971 513381292 /nfs/dbraw/zinc/38/12/92/513381292.db2.gz BTYXKIRIWUGGLM-ROUUACIJSA-N 1 3 365.468 2.696 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000421708971 513381306 /nfs/dbraw/zinc/38/13/06/513381306.db2.gz BTYXKIRIWUGGLM-ROUUACIJSA-N 1 3 365.468 2.696 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000418138635 513388123 /nfs/dbraw/zinc/38/81/23/513388123.db2.gz JKLKUIPNUVLTQG-QUCCMNQESA-N 1 3 358.530 2.667 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418145674 513389888 /nfs/dbraw/zinc/38/98/88/513389888.db2.gz ORINWIMPLJKSTL-AHRSYUTCSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000418148126 513391097 /nfs/dbraw/zinc/39/10/97/513391097.db2.gz QUXJDKULEYENDR-UXPWSPDFSA-N 1 3 358.530 2.523 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(C[NH3+])CC1 ZINC000418148824 513391164 /nfs/dbraw/zinc/39/11/64/513391164.db2.gz AKMKONWFYCOWDD-LJQANCHMSA-N 1 3 358.530 2.667 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000440720666 513391998 /nfs/dbraw/zinc/39/19/98/513391998.db2.gz XYKFWVOCHSNBMW-XKGZKEIXSA-N 1 3 358.530 2.994 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccco1 ZINC000418157898 513396389 /nfs/dbraw/zinc/39/63/89/513396389.db2.gz ANTZAMWOVFBLMB-IRXDYDNUSA-N 1 3 362.518 2.884 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000418196722 513415504 /nfs/dbraw/zinc/41/55/04/513415504.db2.gz RXMOLKDLUFADLG-IBGZPJMESA-N 1 3 360.546 2.929 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N(CC)CC)cc1 ZINC000418208746 513423292 /nfs/dbraw/zinc/42/32/92/513423292.db2.gz DIOZUHHSNFZQBU-ICSRJNTNSA-N 1 3 360.546 2.931 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000418230576 513432015 /nfs/dbraw/zinc/43/20/15/513432015.db2.gz JPQIKRIIMZWPNJ-OLMNPRSZSA-N 1 3 364.559 2.923 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)N(C)C)cc1 ZINC000418239101 513437143 /nfs/dbraw/zinc/43/71/43/513437143.db2.gz YGINDRYAVGDFDA-YJBOKZPZSA-N 1 3 364.559 2.782 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000418238326 513437268 /nfs/dbraw/zinc/43/72/68/513437268.db2.gz FLQJNAXZWMRRFT-RBUKOAKNSA-N 1 3 358.530 2.858 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC1 ZINC000418251142 513442636 /nfs/dbraw/zinc/44/26/36/513442636.db2.gz WEDCKLXBXLWWFE-VQTJNVASSA-N 1 3 370.541 2.728 20 0 FFADHO COc1ccc([C@@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C(C)C)c(F)c1 ZINC000421823472 513445491 /nfs/dbraw/zinc/44/54/91/513445491.db2.gz DBVBVYLKANFCNZ-BEFAXECRSA-N 1 3 365.493 2.708 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418342758 513474420 /nfs/dbraw/zinc/47/44/20/513474420.db2.gz NEYLRYCTJJQAJM-TYPHKJRUSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418359565 513481169 /nfs/dbraw/zinc/48/11/69/513481169.db2.gz JJOOSXZDCVKTPA-KRWDZBQOSA-N 1 3 352.548 2.729 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000415930295 513484101 /nfs/dbraw/zinc/48/41/01/513484101.db2.gz KDRBJQCJNCTBDI-UHFFFAOYSA-N 1 3 362.543 2.889 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418368436 513485523 /nfs/dbraw/zinc/48/55/23/513485523.db2.gz RZAYFBUWJLYTQY-IBGZPJMESA-N 1 3 362.518 2.793 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000415941199 513489188 /nfs/dbraw/zinc/48/91/88/513489188.db2.gz FNYCBERTRIGXNN-UHFFFAOYSA-N 1 3 355.486 2.787 20 0 FFADHO C[C@H]1C[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)CN1Cc1ccccc1 ZINC000415947774 513493804 /nfs/dbraw/zinc/49/38/04/513493804.db2.gz SPHISCSUFFEBRY-LPHOPBHVSA-N 1 3 368.481 2.809 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000415949071 513494178 /nfs/dbraw/zinc/49/41/78/513494178.db2.gz VRFAJGDXWJTRFH-BEFAXECRSA-N 1 3 356.470 2.837 20 0 FFADHO CN(C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000418399822 513496287 /nfs/dbraw/zinc/49/62/87/513496287.db2.gz FCOYPOTUZHYFDQ-ICSRJNTNSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)[C@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000447528033 513498284 /nfs/dbraw/zinc/49/82/84/513498284.db2.gz HSNRQDRLYMLMSF-YADHBBJMSA-N 1 3 359.558 2.851 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418412520 513498304 /nfs/dbraw/zinc/49/83/04/513498304.db2.gz QBACETSFYBGGID-MISYRCLQSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418430593 513506913 /nfs/dbraw/zinc/50/69/13/513506913.db2.gz PKGMALROXQJLRR-TZIWHRDSSA-N 1 3 366.509 2.850 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418430593 513506920 /nfs/dbraw/zinc/50/69/20/513506920.db2.gz PKGMALROXQJLRR-TZIWHRDSSA-N 1 3 366.509 2.850 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000418431667 513507421 /nfs/dbraw/zinc/50/74/21/513507421.db2.gz SSLBFZNMHKOYPK-XIRDDKMYSA-N 1 3 352.910 2.759 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000415982865 513516977 /nfs/dbraw/zinc/51/69/77/513516977.db2.gz MDTAOQSGIKZPDG-LJQANCHMSA-N 1 3 356.470 2.839 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418459965 513520993 /nfs/dbraw/zinc/52/09/93/513520993.db2.gz HBWPPOVNOXYINF-HNNXBMFYSA-N 1 3 356.461 2.556 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418497876 513533135 /nfs/dbraw/zinc/53/31/35/513533135.db2.gz IUCJSDAEKDCCBF-HXUWFJFHSA-N 1 3 354.498 2.871 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418512322 513539784 /nfs/dbraw/zinc/53/97/84/513539784.db2.gz FAUWWSUCLTWZRU-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418511614 513540205 /nfs/dbraw/zinc/54/02/05/513540205.db2.gz CXMZDZQZOBBSCB-NRFANRHFSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000416032578 513548489 /nfs/dbraw/zinc/54/84/89/513548489.db2.gz QMCIVIXDTDHNMW-HOTGVXAUSA-N 1 3 372.435 2.572 20 0 FFADHO CN1CCN(CC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1(C)C ZINC000441366534 513552041 /nfs/dbraw/zinc/55/20/41/513552041.db2.gz NEEQUTFKAZXHLG-UHFFFAOYSA-N 1 3 361.921 2.846 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418549130 513553277 /nfs/dbraw/zinc/55/32/77/513553277.db2.gz SQJDNIMFLWGOBB-IBGZPJMESA-N 1 3 366.937 2.803 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418554482 513556138 /nfs/dbraw/zinc/55/61/38/513556138.db2.gz VMTKCNKQRRCTPQ-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(C)N1CC[C@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000425447527 513571227 /nfs/dbraw/zinc/57/12/27/513571227.db2.gz POJAZVJJSGSVEG-AQNXPRMDSA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)(C)N1CC[C@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000425447527 513571233 /nfs/dbraw/zinc/57/12/33/513571233.db2.gz POJAZVJJSGSVEG-AQNXPRMDSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000418609434 513576355 /nfs/dbraw/zinc/57/63/55/513576355.db2.gz SMGHMBQXEWNSEP-LFGUQSLTSA-N 1 3 358.530 2.821 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418637935 513587143 /nfs/dbraw/zinc/58/71/43/513587143.db2.gz KDTZVOIZRVTAQW-GOSISDBHSA-N 1 3 364.509 2.677 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000418648438 513591293 /nfs/dbraw/zinc/59/12/93/513591293.db2.gz ZJVGVFGPLQTLQO-AZUAARDMSA-N 1 3 356.514 2.533 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@]3(C)CCC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000430221853 513592037 /nfs/dbraw/zinc/59/20/37/513592037.db2.gz UNMWXQWWXVPCBW-SJBKTWHCSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@]3(C)CCC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000430221853 513592045 /nfs/dbraw/zinc/59/20/45/513592045.db2.gz UNMWXQWWXVPCBW-SJBKTWHCSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418735815 513630400 /nfs/dbraw/zinc/63/04/00/513630400.db2.gz WSDQFZCPDZKRPT-RLLQIKCJSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418752418 513638876 /nfs/dbraw/zinc/63/88/76/513638876.db2.gz GMQOJVMMUSHUAW-WBVHZDCISA-N 1 3 372.504 2.670 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418752418 513638886 /nfs/dbraw/zinc/63/88/86/513638886.db2.gz GMQOJVMMUSHUAW-WBVHZDCISA-N 1 3 372.504 2.670 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418774408 513650541 /nfs/dbraw/zinc/65/05/41/513650541.db2.gz RJTKJXNYEKATRV-INIZCTEOSA-N 1 3 368.472 2.570 20 0 FFADHO C[C@@H]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418771325 513651510 /nfs/dbraw/zinc/65/15/10/513651510.db2.gz OZRFLUHONRIYQE-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000418795601 513659960 /nfs/dbraw/zinc/65/99/60/513659960.db2.gz QRBKTUIGGAIJLE-XUVXKRRUSA-N 1 3 370.541 2.681 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418801069 513662240 /nfs/dbraw/zinc/66/22/40/513662240.db2.gz VDZHSERPMXOLOA-IPMKNSEASA-N 1 3 350.551 2.672 20 0 FFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000416238196 513667312 /nfs/dbraw/zinc/66/73/12/513667312.db2.gz HIKUUVGWRVOHRZ-WAOWUJCRSA-N 1 3 355.526 2.624 20 0 FFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)CCN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000416238196 513667319 /nfs/dbraw/zinc/66/73/19/513667319.db2.gz HIKUUVGWRVOHRZ-WAOWUJCRSA-N 1 3 355.526 2.624 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000425653165 513681131 /nfs/dbraw/zinc/68/11/31/513681131.db2.gz CGIVEPQHMSVXCJ-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430576840 513693684 /nfs/dbraw/zinc/69/36/84/513693684.db2.gz YIFKIOOXLXTCTB-CRAIPNDOSA-N 1 3 369.513 2.877 20 0 FFADHO [NH3+]C[C@H]1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430646362 513712227 /nfs/dbraw/zinc/71/22/27/513712227.db2.gz PCCUPYNFCJDYBA-GOSISDBHSA-N 1 3 351.494 2.953 20 0 FFADHO COc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)ccc1OCCN(C)C ZINC000416333500 513716138 /nfs/dbraw/zinc/71/61/38/513716138.db2.gz MAJBDZOFAJIDEQ-UHFFFAOYSA-N 1 3 363.502 2.695 20 0 FFADHO COc1cc(NC(=O)c2cccc(CN(C)C)c2)ccc1OCC[NH+](C)C ZINC000416345032 513723766 /nfs/dbraw/zinc/72/37/66/513723766.db2.gz WGRAQZFXJXPRIZ-UHFFFAOYSA-N 1 3 371.481 2.950 20 0 FFADHO C[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCCC[C@@H]1C ZINC000430765921 513742690 /nfs/dbraw/zinc/74/26/90/513742690.db2.gz WHIOCNALFYOEHD-DLBZAZTESA-N 1 3 356.514 2.983 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)CN3CCC([C@H](C)[NH3+])CC3)ccc2c1 ZINC000430918669 513780662 /nfs/dbraw/zinc/78/06/62/513780662.db2.gz NSPWQWNEZBKUKC-INIZCTEOSA-N 1 3 369.509 2.866 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)[C@@H](C)C1 ZINC000442795774 513783823 /nfs/dbraw/zinc/78/38/23/513783823.db2.gz CKOSAUUAVCITEF-FXAWDEMLSA-N 1 3 359.514 2.650 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026579 513807170 /nfs/dbraw/zinc/80/71/70/513807170.db2.gz RVLWBMFWWRFVBI-AWEZNQCLSA-N 1 3 367.896 2.902 20 0 FFADHO Brc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422717878 513909890 /nfs/dbraw/zinc/90/98/90/513909890.db2.gz PEHFZPIDSAUODB-BFHYXJOUSA-N 1 3 359.333 2.800 20 0 FFADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(OCC(=O)NC3CC3)cc2)c2ccccc21 ZINC000422718378 513911690 /nfs/dbraw/zinc/91/16/90/513911690.db2.gz XCLSXKBGFQOOSV-RTWAWAEBSA-N 1 3 365.477 2.621 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000422787495 513932117 /nfs/dbraw/zinc/93/21/17/513932117.db2.gz MIWMNJAQBVFUJA-DYESRHJHSA-N 1 3 354.498 2.573 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000422788572 513933630 /nfs/dbraw/zinc/93/36/30/513933630.db2.gz SKMCHZJMDLABJE-QZTJIDSGSA-N 1 3 367.541 2.710 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000422802899 513937058 /nfs/dbraw/zinc/93/70/58/513937058.db2.gz HVKHDIMVDGBLCZ-IIBYNOLFSA-N 1 3 354.498 2.573 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422839711 513946897 /nfs/dbraw/zinc/94/68/97/513946897.db2.gz AEZYFORVRIMDSY-UXHICEINSA-N 1 3 372.557 2.626 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H](C3CC3)[C@H]3CNCCO3)cc2)C1 ZINC000422852433 513954240 /nfs/dbraw/zinc/95/42/40/513954240.db2.gz ANTUJBXGHCECMK-ZPMCFJSWSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H](C3CC3)[C@H]3CNCCO3)cc2)C1 ZINC000422852433 513954241 /nfs/dbraw/zinc/95/42/41/513954241.db2.gz ANTUJBXGHCECMK-ZPMCFJSWSA-N 1 3 357.542 2.775 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416784515 513966362 /nfs/dbraw/zinc/96/63/62/513966362.db2.gz JLMXPRWDFFHCTN-RTWAWAEBSA-N 1 3 370.541 2.855 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccccc1 ZINC000416812501 513976962 /nfs/dbraw/zinc/97/69/62/513976962.db2.gz SXDLUGNUJVLTKR-OALUTQOASA-N 1 3 358.530 2.709 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)cn1 ZINC000414123505 513980879 /nfs/dbraw/zinc/98/08/79/513980879.db2.gz OPKUGDDWIWZJPS-QGZVFWFLSA-N 1 3 369.509 2.768 20 0 FFADHO O=C(CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000422947848 513987446 /nfs/dbraw/zinc/98/74/46/513987446.db2.gz QOCTVDMRUCIOBF-RCCFBDPRSA-N 1 3 365.905 2.805 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCC(=O)N1Cc2ccccc2C1 ZINC000422954007 513990357 /nfs/dbraw/zinc/99/03/57/513990357.db2.gz GVQZJXWTRBYVDO-UTKZUKDTSA-N 1 3 351.494 2.857 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416833368 513990859 /nfs/dbraw/zinc/99/08/59/513990859.db2.gz XGPSCMVQBGXYGM-PZJWPPBQSA-N 1 3 374.529 2.521 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000422978680 513997846 /nfs/dbraw/zinc/99/78/46/513997846.db2.gz KDDMHOCKKXOGQX-GBAJDQEWSA-N 1 3 359.558 2.770 20 0 FFADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)[C@H](C)C2 ZINC000414181710 513999943 /nfs/dbraw/zinc/99/99/43/513999943.db2.gz CHJCRAVEGNNMAE-WIYYLYMNSA-N 1 3 357.542 2.615 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)s1 ZINC000414181002 514000478 /nfs/dbraw/zinc/00/04/78/514000478.db2.gz BOKCSCMPYXFGOZ-AWEZNQCLSA-N 1 3 357.951 2.849 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414188799 514003570 /nfs/dbraw/zinc/00/35/70/514003570.db2.gz JHIWRIXKVXVCIS-NHCUHLMSSA-N 1 3 357.542 2.709 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416858130 514007864 /nfs/dbraw/zinc/00/78/64/514007864.db2.gz SKQQPACFJWDMOZ-POAQFYNOSA-N 1 3 374.529 2.519 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416857744 514007973 /nfs/dbraw/zinc/00/79/73/514007973.db2.gz YHGDUGZGRJVUFO-CVEARBPZSA-N 1 3 352.548 2.948 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CC(C)(C)c3ccccc32)(N2CCOCC2)CC1 ZINC000414200970 514009545 /nfs/dbraw/zinc/00/95/45/514009545.db2.gz SESVBQYXIIQGEE-FQEVSTJZSA-N 1 3 357.542 2.795 20 0 FFADHO Cc1ccccc1C1CC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414202692 514009874 /nfs/dbraw/zinc/00/98/74/514009874.db2.gz UMSNQYFCCFRPOH-UHFFFAOYSA-N 1 3 357.542 2.627 20 0 FFADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000443638628 514009849 /nfs/dbraw/zinc/00/98/49/514009849.db2.gz AULWPGPXSPAZCQ-NRSPTQNISA-N 1 3 357.542 2.858 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cc(Cl)cc3c2OCC3)CC[NH2+]CC1 ZINC000423034802 514013013 /nfs/dbraw/zinc/01/30/13/514013013.db2.gz IKHGFFFNBATEHD-CYBMUJFWSA-N 1 3 366.889 2.686 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C1CC1 ZINC000426677572 514013921 /nfs/dbraw/zinc/01/39/21/514013921.db2.gz MPRDUCFSGPVCRX-TZIWHRDSSA-N 1 3 355.526 2.984 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C1CC1 ZINC000426677572 514013929 /nfs/dbraw/zinc/01/39/29/514013929.db2.gz MPRDUCFSGPVCRX-TZIWHRDSSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074541 514029110 /nfs/dbraw/zinc/02/91/10/514029110.db2.gz MAMBETYBMNURPC-AXHNFQJDSA-N 1 3 366.427 2.803 20 0 FFADHO Cc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cs1 ZINC000449022547 514035088 /nfs/dbraw/zinc/03/50/88/514035088.db2.gz YLGDGTZVKQUFSM-UHFFFAOYSA-N 1 3 351.560 2.973 20 0 FFADHO OC1(C[NH2+][C@H]2CCc3ccccc3OC2)CCN(Cc2ccccc2)CC1 ZINC000414294917 514038346 /nfs/dbraw/zinc/03/83/46/514038346.db2.gz CJMKTMBJZBKTDS-NRFANRHFSA-N 1 3 366.505 2.997 20 0 FFADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000414310788 514043320 /nfs/dbraw/zinc/04/33/20/514043320.db2.gz TYZMZLVAVZGKHX-SFHVURJKSA-N 1 3 354.494 2.857 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccc(OC(F)F)c(F)c2)CC[NH2+]CC1 ZINC000423140445 514058681 /nfs/dbraw/zinc/05/86/81/514058681.db2.gz YHINYQLERVDWGJ-LBPRGKRZSA-N 1 3 374.403 2.838 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000416964771 514071594 /nfs/dbraw/zinc/07/15/94/514071594.db2.gz CVSHBNRDLKZBNH-KURKYZTESA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@@H](C)NC[C@@H]2C)C1 ZINC000416964771 514071598 /nfs/dbraw/zinc/07/15/98/514071598.db2.gz CVSHBNRDLKZBNH-KURKYZTESA-N 1 3 358.530 2.810 20 0 FFADHO Brc1ccc2c(c1)OCCC[C@@H]2NCCCN1CC[NH2+]CC1 ZINC000423181297 514073186 /nfs/dbraw/zinc/07/31/86/514073186.db2.gz OSBDTJVUYQBORP-INIZCTEOSA-N 1 3 368.319 2.548 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000414379607 514078203 /nfs/dbraw/zinc/07/82/03/514078203.db2.gz NDLHNHFQLBTWOM-UHFFFAOYSA-N 1 3 360.477 2.645 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2cccc(OCCN(C)C)c2)cc1 ZINC000416976261 514083214 /nfs/dbraw/zinc/08/32/14/514083214.db2.gz QHXOFHTYEWIUFP-MRXNPFEDSA-N 1 3 370.497 2.646 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN[C@@H](C)[C@H]3C)cc2)CC1 ZINC000416985107 514091867 /nfs/dbraw/zinc/09/18/67/514091867.db2.gz YMZBFRYYNRRHRI-ZWKOTPCHSA-N 1 3 358.530 2.810 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000416985637 514093347 /nfs/dbraw/zinc/09/33/47/514093347.db2.gz YVEBHMXSJYJXHH-PKOBYXMFSA-N 1 3 358.530 2.776 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000449163088 514097174 /nfs/dbraw/zinc/09/71/74/514097174.db2.gz UYEXZNBIMZFZJN-QGZVFWFLSA-N 1 3 355.473 2.879 20 0 FFADHO CC(C)c1ccc(CCNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344952 514103380 /nfs/dbraw/zinc/10/33/80/514103380.db2.gz VEJXFZJZWIKRGM-NHCUHLMSSA-N 1 3 357.542 2.790 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCCNCC3)cc2)C1 ZINC000417000659 514106375 /nfs/dbraw/zinc/10/63/75/514106375.db2.gz YWYBPUVOMPYQLD-ROUUACIJSA-N 1 3 358.530 2.669 20 0 FFADHO CCCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417005520 514112307 /nfs/dbraw/zinc/11/23/07/514112307.db2.gz DLIIRMRUHLTXLL-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000423371679 514119930 /nfs/dbraw/zinc/11/99/30/514119930.db2.gz APTGDKYQZGATQG-RISCZKNCSA-N 1 3 367.362 2.775 20 0 FFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000449227781 514122622 /nfs/dbraw/zinc/12/26/22/514122622.db2.gz WKBQNKFMDSJMEF-KRWDZBQOSA-N 1 3 355.482 2.826 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)N1CCc2ccccc2C1 ZINC000417016597 514122546 /nfs/dbraw/zinc/12/25/46/514122546.db2.gz OCOKPMUMMBBASR-IMFGXOCKSA-N 1 3 358.530 2.592 20 0 FFADHO CC[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)N1CCc2ccccc2C1 ZINC000417019752 514124038 /nfs/dbraw/zinc/12/40/38/514124038.db2.gz RCFCBGWSFYNSOL-OXJNMPFZSA-N 1 3 358.530 2.592 20 0 FFADHO Cc1cc2c(cc1C)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423401951 514130002 /nfs/dbraw/zinc/13/00/02/514130002.db2.gz XVDNOJDBQGXHMG-FUHWJXTLSA-N 1 3 371.447 2.943 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417046987 514140574 /nfs/dbraw/zinc/14/05/74/514140574.db2.gz ZYXPROPDRKWKDN-QHAWAJNXSA-N 1 3 370.541 2.855 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000417049508 514142343 /nfs/dbraw/zinc/14/23/43/514142343.db2.gz UICYBPQZIDHGHM-XLIONFOSSA-N 1 3 358.530 2.827 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000417049508 514142354 /nfs/dbraw/zinc/14/23/54/514142354.db2.gz UICYBPQZIDHGHM-XLIONFOSSA-N 1 3 358.530 2.827 20 0 FFADHO CC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000423471619 514148551 /nfs/dbraw/zinc/14/85/51/514148551.db2.gz MPRRLEBPDQNAOW-NOLJZWGESA-N 1 3 373.950 2.806 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449312143 514157443 /nfs/dbraw/zinc/15/74/43/514157443.db2.gz PHMUNPLGMHTQQU-FYYLOGMGSA-N 1 3 363.505 2.871 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417090928 514163620 /nfs/dbraw/zinc/16/36/20/514163620.db2.gz ZJALUNQIEFQELN-NHCUHLMSSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417123324 514179840 /nfs/dbraw/zinc/17/98/40/514179840.db2.gz YRTMWTUYLUMBLH-NHCUHLMSSA-N 1 3 370.541 2.825 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000417130713 514184474 /nfs/dbraw/zinc/18/44/74/514184474.db2.gz BVRCYQUMJPLYFH-HXUWFJFHSA-N 1 3 358.530 2.983 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCN2CCCO)CC1 ZINC000449389802 514190979 /nfs/dbraw/zinc/19/09/79/514190979.db2.gz UCNJXFNOEKJSKT-KNQAVFIVSA-N 1 3 359.558 2.518 20 0 FFADHO COCCOC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000449393348 514192460 /nfs/dbraw/zinc/19/24/60/514192460.db2.gz MQMQZAUJOPGDTC-QUCCMNQESA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000449393348 514192468 /nfs/dbraw/zinc/19/24/68/514192468.db2.gz MQMQZAUJOPGDTC-QUCCMNQESA-N 1 3 368.562 2.831 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423739779 514214903 /nfs/dbraw/zinc/21/49/03/514214903.db2.gz IENCBMZGKUYVLM-FQEVSTJZSA-N 1 3 369.513 2.532 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423743184 514216554 /nfs/dbraw/zinc/21/65/54/514216554.db2.gz JSFJCRHNTPYYJA-HNNXBMFYSA-N 1 3 353.457 2.635 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423747103 514218053 /nfs/dbraw/zinc/21/80/53/514218053.db2.gz OZRVQMKGXZYCLM-RDTXWAMCSA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423776923 514226319 /nfs/dbraw/zinc/22/63/19/514226319.db2.gz OGSALKUEZOPSLR-JZWVFAODSA-N 1 3 363.505 2.554 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N(C)C2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000417208348 514231558 /nfs/dbraw/zinc/23/15/58/514231558.db2.gz ARXKNAZHVWCRBV-FQEVSTJZSA-N 1 3 358.530 2.853 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCN(C)Cc1ccccc1 ZINC000417228805 514245679 /nfs/dbraw/zinc/24/56/79/514245679.db2.gz GQQFHUYAUDWUGQ-FQEVSTJZSA-N 1 3 354.498 2.680 20 0 FFADHO COc1ccc(Cl)cc1CN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414729995 514261262 /nfs/dbraw/zinc/26/12/62/514261262.db2.gz GGTFNNOLDYPGLY-HOTGVXAUSA-N 1 3 351.922 2.854 20 0 FFADHO CCO[C@H](C)c1nc(CN2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cs1 ZINC000414741930 514267259 /nfs/dbraw/zinc/26/72/59/514267259.db2.gz LIBMFKHPRKVDKK-GVDBMIGSSA-N 1 3 366.575 2.746 20 0 FFADHO CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414753659 514274988 /nfs/dbraw/zinc/27/49/88/514274988.db2.gz MSRZGDIPFGAJGD-VQTJNVASSA-N 1 3 357.542 2.872 20 0 FFADHO CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414753659 514274999 /nfs/dbraw/zinc/27/49/99/514274999.db2.gz MSRZGDIPFGAJGD-VQTJNVASSA-N 1 3 357.542 2.872 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)N(C)C)cc1 ZINC000417301612 514282695 /nfs/dbraw/zinc/28/26/95/514282695.db2.gz BOVMQYFTFIZNNL-LJQANCHMSA-N 1 3 358.530 2.773 20 0 FFADHO CCCOc1ccc(Br)cc1CNCCCN1CC[NH2+]CC1 ZINC000414779784 514288409 /nfs/dbraw/zinc/28/84/09/514288409.db2.gz KKZPXISITYQLQU-UHFFFAOYSA-N 1 3 370.335 2.623 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)N2CCCC2)cc1 ZINC000417352230 514305894 /nfs/dbraw/zinc/30/58/94/514305894.db2.gz FOJQGMMENCKEFL-AQNXPRMDSA-N 1 3 356.514 2.525 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000417352660 514306428 /nfs/dbraw/zinc/30/64/28/514306428.db2.gz GPVPUTIJNCCGSZ-WOJBJXKFSA-N 1 3 358.530 2.915 20 0 FFADHO C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H](C)CN1 ZINC000417352833 514306689 /nfs/dbraw/zinc/30/66/89/514306689.db2.gz HFFWVSKYFYVNSM-ROUUACIJSA-N 1 3 358.530 2.954 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000417357759 514310852 /nfs/dbraw/zinc/31/08/52/514310852.db2.gz SASFNBFNIOFSLY-UYAOXDASSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417372392 514319171 /nfs/dbraw/zinc/31/91/71/514319171.db2.gz VYWUCMNRAKEMEE-SJLPKXTDSA-N 1 3 366.575 2.975 20 0 FFADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414856681 514326416 /nfs/dbraw/zinc/32/64/16/514326416.db2.gz ZIGPNJRJJODDAZ-KBXCAEBGSA-N 1 3 360.502 2.715 20 0 FFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC000414887167 514341982 /nfs/dbraw/zinc/34/19/82/514341982.db2.gz YYQZHNHULBPRNI-LBPRGKRZSA-N 1 3 368.319 2.547 20 0 FFADHO CC(=O)c1csc(C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424023444 514346173 /nfs/dbraw/zinc/34/61/73/514346173.db2.gz VXLOJKBREAFJPH-UHFFFAOYSA-N 1 3 371.506 2.674 20 0 FFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CCCN1 ZINC000414960004 514377033 /nfs/dbraw/zinc/37/70/33/514377033.db2.gz SUMXWMYHJIEXFQ-WBMJQRKESA-N 1 3 359.283 2.877 20 0 FFADHO FC(F)(F)[C@@H](CNCc1ccc(Cl)c2cccnc12)N1CC[NH2+]CC1 ZINC000414967367 514379079 /nfs/dbraw/zinc/37/90/79/514379079.db2.gz DYMSMUBKXUFTEI-OAHLLOKOSA-N 1 3 372.822 2.814 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)C1 ZINC000420928495 514381228 /nfs/dbraw/zinc/38/12/28/514381228.db2.gz ANRDYFOPYZOXPH-WTGUMLROSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2ccccc2C[N@H+]2C[C@H](C)C[C@@H](CO)C2)C1 ZINC000420928495 514381230 /nfs/dbraw/zinc/38/12/30/514381230.db2.gz ANRDYFOPYZOXPH-WTGUMLROSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@@H](CO)CN(Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420928495 514381233 /nfs/dbraw/zinc/38/12/33/514381233.db2.gz ANRDYFOPYZOXPH-WTGUMLROSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@@H](CO)CN(Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420928495 514381236 /nfs/dbraw/zinc/38/12/36/514381236.db2.gz ANRDYFOPYZOXPH-WTGUMLROSA-N 1 3 360.542 2.587 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)NC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000433135045 514394268 /nfs/dbraw/zinc/39/42/68/514394268.db2.gz MJKFCHHYDLDBJO-INIZCTEOSA-N 1 3 369.513 2.561 20 0 FFADHO FC(F)(F)c1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414998911 514395082 /nfs/dbraw/zinc/39/50/82/514395082.db2.gz ZXASOAHBCVXCED-CYBMUJFWSA-N 1 3 355.326 2.631 20 0 FFADHO C[C@@H]1C[C@H]1N1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H](C)C1 ZINC000420960353 514403888 /nfs/dbraw/zinc/40/38/88/514403888.db2.gz GPIHUNHXKONPOJ-WOIUINJBSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@@H]1C[C@H]1N1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H](C)C1 ZINC000420960353 514403892 /nfs/dbraw/zinc/40/38/92/514403892.db2.gz GPIHUNHXKONPOJ-WOIUINJBSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)N(C)Cc1ccccc1 ZINC000417575485 514415221 /nfs/dbraw/zinc/41/52/21/514415221.db2.gz FWQWFTQCMAOXIK-MRXNPFEDSA-N 1 3 352.482 2.610 20 0 FFADHO COc1cc(CN(C)[C@H]2CCCOC2)cc(C[N@H+](C)[C@H]2CCCOC2)c1 ZINC000433201534 514418021 /nfs/dbraw/zinc/41/80/21/514418021.db2.gz WWPNUVHFWHFYBU-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN(C)[C@H]2CCCOC2)cc(C[N@@H+](C)[C@H]2CCCOC2)c1 ZINC000433201534 514418022 /nfs/dbraw/zinc/41/80/22/514418022.db2.gz WWPNUVHFWHFYBU-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000420982909 514422340 /nfs/dbraw/zinc/42/23/40/514422340.db2.gz PTQXLLSNFGTDKN-UHFFFAOYSA-N 1 3 357.542 2.656 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000420982909 514422342 /nfs/dbraw/zinc/42/23/42/514422342.db2.gz PTQXLLSNFGTDKN-UHFFFAOYSA-N 1 3 357.542 2.656 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415066963 514425810 /nfs/dbraw/zinc/42/58/10/514425810.db2.gz JRMRJPOENJWZFP-GOSISDBHSA-N 1 3 364.559 2.917 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(c1ccccc1)c1ccccc1 ZINC000415081478 514434752 /nfs/dbraw/zinc/43/47/52/514434752.db2.gz CDLXPZNTCZZULF-RTBURBONSA-N 1 3 365.521 2.994 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424294435 514448947 /nfs/dbraw/zinc/44/89/47/514448947.db2.gz QJGLITARIIDNQV-SJORKVTESA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433569456 514517648 /nfs/dbraw/zinc/51/76/48/514517648.db2.gz RKUWLHBGPNPVJI-IEBWSBKVSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433569456 514517657 /nfs/dbraw/zinc/51/76/57/514517657.db2.gz RKUWLHBGPNPVJI-IEBWSBKVSA-N 1 3 350.551 2.815 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC000475023581 514527450 /nfs/dbraw/zinc/52/74/50/514527450.db2.gz PFYUOMAZQBGXHQ-IFMALSPDSA-N 1 3 365.521 2.970 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)Cc3cnccn3)CC2)c1 ZINC000453059099 514532946 /nfs/dbraw/zinc/53/29/46/514532946.db2.gz ARNMWUCXPSDQFD-FQEVSTJZSA-N 1 3 367.541 2.908 20 0 FFADHO C[C@@H]1CC[C@H](C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)O1 ZINC000475043795 514536005 /nfs/dbraw/zinc/53/60/05/514536005.db2.gz FIKNOZXSHLNZAE-WIYYLYMNSA-N 1 3 373.541 2.514 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000439356566 514537150 /nfs/dbraw/zinc/53/71/50/514537150.db2.gz VDKKWQOKYLAJAH-GJZGRUSLSA-N 1 3 366.472 2.775 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21)N1CCN(C)CC1 ZINC000453095966 514543618 /nfs/dbraw/zinc/54/36/18/514543618.db2.gz HUCCZIGTSMCSRO-CWKRKGSWSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@@H+]1C ZINC000466036110 514544699 /nfs/dbraw/zinc/54/46/99/514544699.db2.gz DONCWOVZSIPLRI-FPOVZHCZSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@H+]1C ZINC000466036110 514544704 /nfs/dbraw/zinc/54/47/04/514544704.db2.gz DONCWOVZSIPLRI-FPOVZHCZSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[NH+]1CCC(C)CC1 ZINC000458049085 514545952 /nfs/dbraw/zinc/54/59/52/514545952.db2.gz PPHINNUXDAMIRI-QGZVFWFLSA-N 1 3 366.575 2.942 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475140770 514570670 /nfs/dbraw/zinc/57/06/70/514570670.db2.gz STCGJUAFJMPMLZ-AQNXPRMDSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475140770 514570678 /nfs/dbraw/zinc/57/06/78/514570678.db2.gz STCGJUAFJMPMLZ-AQNXPRMDSA-N 1 3 356.514 2.529 20 0 FFADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502428618 514648621 /nfs/dbraw/zinc/64/86/21/514648621.db2.gz DXGUNXOICXYPBW-TZIWHRDSSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488981365 514659015 /nfs/dbraw/zinc/65/90/15/514659015.db2.gz MZCLLNTVGFSKSX-OKZBNKHCSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488981365 514659025 /nfs/dbraw/zinc/65/90/25/514659025.db2.gz MZCLLNTVGFSKSX-OKZBNKHCSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000508163954 514691861 /nfs/dbraw/zinc/69/18/61/514691861.db2.gz PRBAQWPPQNHNEA-MJGOQNOKSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000479731071 514701197 /nfs/dbraw/zinc/70/11/97/514701197.db2.gz UXKRWWYKCYCOTB-FQEVSTJZSA-N 1 3 358.530 2.608 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000479731071 514701209 /nfs/dbraw/zinc/70/12/09/514701209.db2.gz UXKRWWYKCYCOTB-FQEVSTJZSA-N 1 3 358.530 2.608 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489133443 514722934 /nfs/dbraw/zinc/72/29/34/514722934.db2.gz NFIBSZPVNPCBFM-INDMIFKZSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489133443 514722946 /nfs/dbraw/zinc/72/29/46/514722946.db2.gz NFIBSZPVNPCBFM-INDMIFKZSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccc(CC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000466773563 514764824 /nfs/dbraw/zinc/76/48/24/514764824.db2.gz BXRIPOUYUZYBPK-SFHVURJKSA-N 1 3 360.546 2.710 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000458403432 514770123 /nfs/dbraw/zinc/77/01/23/514770123.db2.gz IQOKXXCSBXFIFJ-YJBOKZPZSA-N 1 3 362.543 2.547 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000458403432 514770136 /nfs/dbraw/zinc/77/01/36/514770136.db2.gz IQOKXXCSBXFIFJ-YJBOKZPZSA-N 1 3 362.543 2.547 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)N1CCc2ccccc2C1 ZINC000498141299 514775319 /nfs/dbraw/zinc/77/53/19/514775319.db2.gz HTGFQRNZXOEPFF-NRSPTQNISA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)N1CCc2ccccc2C1 ZINC000498141299 514775325 /nfs/dbraw/zinc/77/53/25/514775325.db2.gz HTGFQRNZXOEPFF-NRSPTQNISA-N 1 3 370.541 2.559 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCCCCC[NH+]3CCCCC3)C2)C1 ZINC000458428581 514787705 /nfs/dbraw/zinc/78/77/05/514787705.db2.gz LTBILWAHHJPODT-HXUWFJFHSA-N 1 3 350.551 2.770 20 0 FFADHO [NH3+][C@H](CC(F)F)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000498196553 514798016 /nfs/dbraw/zinc/79/80/16/514798016.db2.gz USEHZSZZFATKRP-OAHLLOKOSA-N 1 3 359.848 2.651 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000484804840 514800703 /nfs/dbraw/zinc/80/07/03/514800703.db2.gz AOYUURBGPJBTJK-YJBOKZPZSA-N 1 3 362.518 2.882 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000508545232 514815578 /nfs/dbraw/zinc/81/55/78/514815578.db2.gz IKRDAWRMJZNLSP-NHCUHLMSSA-N 1 3 373.541 2.658 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000508545232 514815587 /nfs/dbraw/zinc/81/55/87/514815587.db2.gz IKRDAWRMJZNLSP-NHCUHLMSSA-N 1 3 373.541 2.658 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2cccc(C)c2)CC1 ZINC000466909662 514822399 /nfs/dbraw/zinc/82/23/99/514822399.db2.gz NJNWJXVHQHQACZ-JOCHJYFZSA-N 1 3 367.537 2.830 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466928331 514830199 /nfs/dbraw/zinc/83/01/99/514830199.db2.gz BRXAIZBIKYZOSZ-VQIMIIECSA-N 1 3 350.551 2.623 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466928331 514830211 /nfs/dbraw/zinc/83/02/11/514830211.db2.gz BRXAIZBIKYZOSZ-VQIMIIECSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000471397319 514866284 /nfs/dbraw/zinc/86/62/84/514866284.db2.gz ABUPXAMRXDPVDF-OALUTQOASA-N 1 3 357.542 2.919 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508866793 514928080 /nfs/dbraw/zinc/92/80/80/514928080.db2.gz RYHQAJIOUVDNFW-OJAHFUOMSA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508866793 514928093 /nfs/dbraw/zinc/92/80/93/514928093.db2.gz RYHQAJIOUVDNFW-OJAHFUOMSA-N 1 3 358.530 2.946 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000458643406 514982858 /nfs/dbraw/zinc/98/28/58/514982858.db2.gz JPYADNNQYAKIKK-OLMNPRSZSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000458643406 514982866 /nfs/dbraw/zinc/98/28/66/514982866.db2.gz JPYADNNQYAKIKK-OLMNPRSZSA-N 1 3 364.559 2.793 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458655847 514991516 /nfs/dbraw/zinc/99/15/16/514991516.db2.gz RZSPNKIZCKWVFR-SYYKKAFVSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458655847 514991522 /nfs/dbraw/zinc/99/15/22/514991522.db2.gz RZSPNKIZCKWVFR-SYYKKAFVSA-N 1 3 370.541 2.634 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489828623 514992350 /nfs/dbraw/zinc/99/23/50/514992350.db2.gz IDEJFCZKSPVWPO-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO CCN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@H](C)C1 ZINC000467410133 514998564 /nfs/dbraw/zinc/99/85/64/514998564.db2.gz DPYHJHGKKGPUSN-QAPCUYQASA-N 1 3 351.922 2.997 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)N1CCc2ccccc2C1 ZINC000485398413 515025503 /nfs/dbraw/zinc/02/55/03/515025503.db2.gz KPKGCTGPALCGPH-WIYYLYMNSA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)N1CCc2ccccc2C1 ZINC000485398413 515025508 /nfs/dbraw/zinc/02/55/08/515025508.db2.gz KPKGCTGPALCGPH-WIYYLYMNSA-N 1 3 372.557 2.807 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000503425135 515028205 /nfs/dbraw/zinc/02/82/05/515028205.db2.gz HKHKACGANMVQPP-VWEINGBSSA-N 1 3 370.541 2.966 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000458729747 515051089 /nfs/dbraw/zinc/05/10/89/515051089.db2.gz JJJNDIXYRVLCKR-MOPGFXCFSA-N 1 3 350.551 2.908 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000458729747 515051097 /nfs/dbraw/zinc/05/10/97/515051097.db2.gz JJJNDIXYRVLCKR-MOPGFXCFSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000503690564 515120381 /nfs/dbraw/zinc/12/03/81/515120381.db2.gz PRHNXJGGTNRRPK-VQIMIIECSA-N 1 3 358.530 2.994 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000476650811 515142015 /nfs/dbraw/zinc/14/20/15/515142015.db2.gz CHSHLTFIKZCUJY-UXHICEINSA-N 1 3 358.530 2.948 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000504181905 515240462 /nfs/dbraw/zinc/24/04/62/515240462.db2.gz NQFBIXHFTSRUIV-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccco1 ZINC000509609215 515255896 /nfs/dbraw/zinc/25/58/96/515255896.db2.gz GBQJEIYNFHPOQY-BZSNNMDCSA-N 1 3 362.518 2.836 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000481262012 515268015 /nfs/dbraw/zinc/26/80/15/515268015.db2.gz WCSBYIYHEORYMH-RSPOEFSDSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000481262012 515268022 /nfs/dbraw/zinc/26/80/22/515268022.db2.gz WCSBYIYHEORYMH-RSPOEFSDSA-N 1 3 356.514 2.575 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459042327 515281083 /nfs/dbraw/zinc/28/10/83/515281083.db2.gz CETKUJMIUCXPJB-YQQQUEKLSA-N 1 3 350.551 2.765 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459042327 515281092 /nfs/dbraw/zinc/28/10/92/515281092.db2.gz CETKUJMIUCXPJB-YQQQUEKLSA-N 1 3 350.551 2.765 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509686181 515290503 /nfs/dbraw/zinc/29/05/03/515290503.db2.gz YKAGCYFMIARYCY-NRFANRHFSA-N 1 3 358.574 2.862 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509686181 515290506 /nfs/dbraw/zinc/29/05/06/515290506.db2.gz YKAGCYFMIARYCY-NRFANRHFSA-N 1 3 358.574 2.862 20 0 FFADHO CCCCCOc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000504431919 515304004 /nfs/dbraw/zinc/30/40/04/515304004.db2.gz RGOCOMGKAYRUOM-LJQANCHMSA-N 1 3 361.530 2.744 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000486066125 515320350 /nfs/dbraw/zinc/32/03/50/515320350.db2.gz UQHPIISQIXOOQF-RHSMWYFYSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000486066125 515320360 /nfs/dbraw/zinc/32/03/60/515320360.db2.gz UQHPIISQIXOOQF-RHSMWYFYSA-N 1 3 371.447 2.793 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000468439083 515359322 /nfs/dbraw/zinc/35/93/22/515359322.db2.gz ODXHSSRSIMXEIJ-HDICACEKSA-N 1 3 361.530 2.896 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000477267373 515393114 /nfs/dbraw/zinc/39/31/14/515393114.db2.gz SCBZWOSFEFUKNX-WMZOPIPTSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000477267373 515393122 /nfs/dbraw/zinc/39/31/22/515393122.db2.gz SCBZWOSFEFUKNX-WMZOPIPTSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000463270289 515424420 /nfs/dbraw/zinc/42/44/20/515424420.db2.gz FXWKXEPONSWLMP-RXVVDRJESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000463270289 515424429 /nfs/dbraw/zinc/42/44/29/515424429.db2.gz FXWKXEPONSWLMP-RXVVDRJESA-N 1 3 370.541 2.777 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000459263265 515431623 /nfs/dbraw/zinc/43/16/23/515431623.db2.gz MGEXRUKURNCSFD-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000459263265 515431630 /nfs/dbraw/zinc/43/16/30/515431630.db2.gz MGEXRUKURNCSFD-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO CN1CCC2(CCCN2C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000510372887 515520728 /nfs/dbraw/zinc/52/07/28/515520728.db2.gz GJGCQIRHZGNIAB-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO Cc1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(OCCN(C)C)c1 ZINC000459411868 515534545 /nfs/dbraw/zinc/53/45/45/515534545.db2.gz JWOPRAINGFYMBY-KRWDZBQOSA-N 1 3 362.518 2.789 20 0 FFADHO Cc1ccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(OCCN(C)C)c1 ZINC000459411868 515534553 /nfs/dbraw/zinc/53/45/53/515534553.db2.gz JWOPRAINGFYMBY-KRWDZBQOSA-N 1 3 362.518 2.789 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC[NH+]1CCCC1 ZINC000468836894 515545148 /nfs/dbraw/zinc/54/51/48/515545148.db2.gz FKUOUMLVIUDEMK-FQEVSTJZSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000510535087 515573477 /nfs/dbraw/zinc/57/34/77/515573477.db2.gz DHQKDCXGACAWDK-HKUYNNGSSA-N 1 3 350.551 2.693 20 0 FFADHO Cc1cc(C)c(NC(=O)[C@H](C)N(C)CCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000492909665 515576914 /nfs/dbraw/zinc/57/69/14/515576914.db2.gz FKFOHLYBWGBJMW-IBGZPJMESA-N 1 3 360.546 2.508 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CC1CCN(C)CC1 ZINC000486786915 515633993 /nfs/dbraw/zinc/63/39/93/515633993.db2.gz IFEJJWMOMRPNTM-UHFFFAOYSA-N 1 3 351.457 2.841 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000477909214 515637655 /nfs/dbraw/zinc/63/76/55/515637655.db2.gz MDSJCAPPTIKHSS-LJQANCHMSA-N 1 3 364.509 2.848 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C(C)(C)C)s1 ZINC000505732859 515649255 /nfs/dbraw/zinc/64/92/55/515649255.db2.gz ZVNPKEMGOGKGDN-OAHLLOKOSA-N 1 3 366.575 2.929 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccccc4OC3)cc2)CC1 ZINC000493742101 515660520 /nfs/dbraw/zinc/66/05/20/515660520.db2.gz YOGIOQBZLOCCGG-JOCHJYFZSA-N 1 3 365.521 2.917 20 0 FFADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000493767224 515661675 /nfs/dbraw/zinc/66/16/75/515661675.db2.gz MJFMVLDTZVFXPI-SIKLNZKXSA-N 1 3 368.525 2.960 20 0 FFADHO CCC1(CNC(=O)NC[C@H](C)N(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000454705009 515679106 /nfs/dbraw/zinc/67/91/06/515679106.db2.gz AXVJRIYOQVYEEG-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000482494300 515694426 /nfs/dbraw/zinc/69/44/26/515694426.db2.gz JEOOKAIFCPGWMS-CVEARBPZSA-N 1 3 367.509 2.767 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c2ccsc2S1 ZINC000482550084 515717089 /nfs/dbraw/zinc/71/70/89/515717089.db2.gz JFBWJQFMZIRCBI-GZBFAFLISA-N 1 3 353.557 2.851 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506026553 515754313 /nfs/dbraw/zinc/75/43/13/515754313.db2.gz MCTONABCESORGP-QGZVFWFLSA-N 1 3 367.484 2.848 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000500528791 515755660 /nfs/dbraw/zinc/75/56/60/515755660.db2.gz OMOOWXCZEFGGME-AFYVEPGGSA-N 1 3 356.514 2.700 20 0 FFADHO OCCN1CCN(CCCC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000511082338 515771575 /nfs/dbraw/zinc/77/15/75/515771575.db2.gz QWMWJLDGQNCJMW-UHFFFAOYSA-N 1 3 365.949 2.566 20 0 FFADHO CN(C)C1(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)Cc2ccccc2C1 ZINC000478419973 515816990 /nfs/dbraw/zinc/81/69/90/515816990.db2.gz WNVRMYNLXBBCAA-UHFFFAOYSA-N 1 3 372.557 2.507 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000469490228 515837163 /nfs/dbraw/zinc/83/71/63/515837163.db2.gz PUJUARYZMHWWCU-CEXWTWQISA-N 1 3 373.541 2.875 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(F)c(F)cc1F ZINC000487357751 515837692 /nfs/dbraw/zinc/83/76/92/515837692.db2.gz TYZJZPFEQRGEBL-HNNXBMFYSA-N 1 3 371.447 2.521 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(F)c(F)cc1F ZINC000487357751 515837698 /nfs/dbraw/zinc/83/76/98/515837698.db2.gz TYZJZPFEQRGEBL-HNNXBMFYSA-N 1 3 371.447 2.521 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000494490916 515861750 /nfs/dbraw/zinc/86/17/50/515861750.db2.gz HYEGTOOCMAWXMO-WBADGQHESA-N 1 3 371.569 2.988 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000494490916 515861755 /nfs/dbraw/zinc/86/17/55/515861755.db2.gz HYEGTOOCMAWXMO-WBADGQHESA-N 1 3 371.569 2.988 20 0 FFADHO CC[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000494490916 515861764 /nfs/dbraw/zinc/86/17/64/515861764.db2.gz HYEGTOOCMAWXMO-WBADGQHESA-N 1 3 371.569 2.988 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000469567868 515870270 /nfs/dbraw/zinc/87/02/70/515870270.db2.gz YJHLCXSIJHNFSI-RLLQIKCJSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000469567868 515870281 /nfs/dbraw/zinc/87/02/81/515870281.db2.gz YJHLCXSIJHNFSI-RLLQIKCJSA-N 1 3 360.546 2.925 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000500829841 515875700 /nfs/dbraw/zinc/87/57/00/515875700.db2.gz AGGZDHFKIBUDHM-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000500829841 515875708 /nfs/dbraw/zinc/87/57/08/515875708.db2.gz AGGZDHFKIBUDHM-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511457045 515912489 /nfs/dbraw/zinc/91/24/89/515912489.db2.gz BYCWCKURFWQFTO-ZWKOTPCHSA-N 1 3 365.468 2.696 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511484552 515921995 /nfs/dbraw/zinc/92/19/95/515921995.db2.gz ZENXAHDIZKBZBI-WMZOPIPTSA-N 1 3 367.484 2.990 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511484552 515922001 /nfs/dbraw/zinc/92/20/01/515922001.db2.gz ZENXAHDIZKBZBI-WMZOPIPTSA-N 1 3 367.484 2.990 20 0 FFADHO Cc1cc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000469702469 515925223 /nfs/dbraw/zinc/92/52/23/515925223.db2.gz QRYXZGFBGPDDCY-OAHLLOKOSA-N 1 3 364.538 2.556 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511516738 515933315 /nfs/dbraw/zinc/93/33/15/515933315.db2.gz VXWGTTDILYNXIQ-MJGOQNOKSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000483140145 515947737 /nfs/dbraw/zinc/94/77/37/515947737.db2.gz ZKIAFTWEKXXEDR-IBGZPJMESA-N 1 3 353.938 2.771 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000483200595 515979986 /nfs/dbraw/zinc/97/99/86/515979986.db2.gz PENNWFMOVCXRMB-KRWDZBQOSA-N 1 3 365.562 2.647 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000483200595 515979996 /nfs/dbraw/zinc/97/99/96/515979996.db2.gz PENNWFMOVCXRMB-KRWDZBQOSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487816886 515989496 /nfs/dbraw/zinc/98/94/96/515989496.db2.gz FEBQWDOXMTZWOD-CEXWTWQISA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487816886 515989507 /nfs/dbraw/zinc/98/95/07/515989507.db2.gz FEBQWDOXMTZWOD-CEXWTWQISA-N 1 3 364.578 2.870 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2ccccc2s1 ZINC000501136411 515995624 /nfs/dbraw/zinc/99/56/24/515995624.db2.gz RXHIHFFTKHGOKQ-OAHLLOKOSA-N 1 3 360.527 2.784 20 0 FFADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460120284 516032220 /nfs/dbraw/zinc/03/22/20/516032220.db2.gz FPILNYOZDIZRMK-ACRUOGEOSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000460120284 516032229 /nfs/dbraw/zinc/03/22/29/516032229.db2.gz FPILNYOZDIZRMK-ACRUOGEOSA-N 1 3 370.541 2.634 20 0 FFADHO CC[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)N1CCc2ccccc2C1 ZINC000501330769 516065170 /nfs/dbraw/zinc/06/51/70/516065170.db2.gz JMTHMNHRQHJMLA-OAQYLSRUSA-N 1 3 372.557 2.854 20 0 FFADHO CN1CCC(Oc2ccc(NC(=O)C3C[NH+](C4CCCCC4)C3)cn2)CC1 ZINC000457679601 516065361 /nfs/dbraw/zinc/06/53/61/516065361.db2.gz VFYOXCCAUPTKAB-UHFFFAOYSA-N 1 3 372.513 2.758 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2ccccc2C1 ZINC000501357857 516074041 /nfs/dbraw/zinc/07/40/41/516074041.db2.gz JPJKWCYFTATZDH-HKBOAZHASA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCc2ccccc2C1 ZINC000501357857 516074051 /nfs/dbraw/zinc/07/40/51/516074051.db2.gz JPJKWCYFTATZDH-HKBOAZHASA-N 1 3 370.541 2.749 20 0 FFADHO [NH3+]C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479194935 516101222 /nfs/dbraw/zinc/10/12/22/516101222.db2.gz YSIAHODMLKZIEY-WOJBJXKFSA-N 1 3 355.457 2.649 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@@H]1C ZINC000483514464 516116279 /nfs/dbraw/zinc/11/62/79/516116279.db2.gz AYEMQNRHBFQUMB-YSIASYRMSA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@@H]1C ZINC000483514464 516116290 /nfs/dbraw/zinc/11/62/90/516116290.db2.gz AYEMQNRHBFQUMB-YSIASYRMSA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H]1C ZINC000483514460 516117168 /nfs/dbraw/zinc/11/71/68/516117168.db2.gz AYEMQNRHBFQUMB-HOJAQTOUSA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H]1C ZINC000483514460 516117173 /nfs/dbraw/zinc/11/71/73/516117173.db2.gz AYEMQNRHBFQUMB-HOJAQTOUSA-N 1 3 360.546 2.674 20 0 FFADHO CC1CC[NH+](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000501504930 516130637 /nfs/dbraw/zinc/13/06/37/516130637.db2.gz OPPIVIFYHBWFNG-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000457802904 516158216 /nfs/dbraw/zinc/15/82/16/516158216.db2.gz SILNWLMZEZALDR-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000479355094 516163524 /nfs/dbraw/zinc/16/35/24/516163524.db2.gz VZOOWCOFYAHTMR-MDZRGWNJSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000479355094 516163533 /nfs/dbraw/zinc/16/35/33/516163533.db2.gz VZOOWCOFYAHTMR-MDZRGWNJSA-N 1 3 364.509 2.848 20 0 FFADHO C[NH+](C)CCCC(C)(C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000457810225 516165796 /nfs/dbraw/zinc/16/57/96/516165796.db2.gz YTCXFCZSQQBNHZ-UHFFFAOYSA-N 1 3 370.607 2.768 20 0 FFADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000483714540 516185733 /nfs/dbraw/zinc/18/57/33/516185733.db2.gz OPEAWPWLGJWBEL-DLBZAZTESA-N 1 3 350.551 2.956 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000507409182 516203456 /nfs/dbraw/zinc/20/34/56/516203456.db2.gz QVUWVVZAEVTEGY-NSHGMRRFSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000507409182 516203466 /nfs/dbraw/zinc/20/34/66/516203466.db2.gz QVUWVVZAEVTEGY-NSHGMRRFSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)C[NH+]1CCCC1 ZINC000457876393 516203940 /nfs/dbraw/zinc/20/39/40/516203940.db2.gz GQORICPDALLNOI-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO Cc1ccc(SCC[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1C ZINC000507407869 516204196 /nfs/dbraw/zinc/20/41/96/516204196.db2.gz VRCPVLHCPYOTKJ-UHFFFAOYSA-N 1 3 363.571 2.785 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000465591015 516205313 /nfs/dbraw/zinc/20/53/13/516205313.db2.gz DVHIBLIPJAVALH-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCc1ccco1 ZINC000465629463 516213884 /nfs/dbraw/zinc/21/38/84/516213884.db2.gz MXIJFOSJJHMFKY-MSOLQXFVSA-N 1 3 364.534 2.658 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCc1ccco1 ZINC000465629463 516213891 /nfs/dbraw/zinc/21/38/91/516213891.db2.gz MXIJFOSJJHMFKY-MSOLQXFVSA-N 1 3 364.534 2.658 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501783561 516222546 /nfs/dbraw/zinc/22/25/46/516222546.db2.gz DFPFBPDUEVAIGM-UYAOXDASSA-N 1 3 358.530 2.997 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000488448070 516227233 /nfs/dbraw/zinc/22/72/33/516227233.db2.gz YQALGAVRHFZEFM-MSOLQXFVSA-N 1 3 363.571 2.988 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000457921911 516230966 /nfs/dbraw/zinc/23/09/66/516230966.db2.gz HALBRXIZSZJKKT-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000457921911 516230977 /nfs/dbraw/zinc/23/09/77/516230977.db2.gz HALBRXIZSZJKKT-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465732967 516243396 /nfs/dbraw/zinc/24/33/96/516243396.db2.gz XGNOYGXXAGWBTE-LEWJYISDSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465732967 516243402 /nfs/dbraw/zinc/24/34/02/516243402.db2.gz XGNOYGXXAGWBTE-LEWJYISDSA-N 1 3 372.557 2.723 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)C2)C1 ZINC000488545113 516256072 /nfs/dbraw/zinc/25/60/72/516256072.db2.gz ONEFWFXGBMNDFW-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)C2)C1 ZINC000488545113 516256083 /nfs/dbraw/zinc/25/60/83/516256083.db2.gz ONEFWFXGBMNDFW-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000496645426 516273241 /nfs/dbraw/zinc/27/32/41/516273241.db2.gz BAMPVZFBDZVOPJ-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000496645426 516273248 /nfs/dbraw/zinc/27/32/48/516273248.db2.gz BAMPVZFBDZVOPJ-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000496645429 516274182 /nfs/dbraw/zinc/27/41/82/516274182.db2.gz BAMPVZFBDZVOPJ-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000496645429 516274186 /nfs/dbraw/zinc/27/41/86/516274186.db2.gz BAMPVZFBDZVOPJ-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000460885441 516274787 /nfs/dbraw/zinc/27/47/87/516274787.db2.gz SHRROTCRAJNOAH-RDJZCZTQSA-N 1 3 367.484 2.943 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000460885441 516274791 /nfs/dbraw/zinc/27/47/91/516274791.db2.gz SHRROTCRAJNOAH-RDJZCZTQSA-N 1 3 367.484 2.943 20 0 FFADHO CSC1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN(C)CC1 ZINC000460976899 516295432 /nfs/dbraw/zinc/29/54/32/516295432.db2.gz DRVJYRMODGZZCW-UHFFFAOYSA-N 1 3 361.555 2.840 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000502121838 516306167 /nfs/dbraw/zinc/30/61/67/516306167.db2.gz KDJQRRTYAITIFV-QFBILLFUSA-N 1 3 364.509 2.992 20 0 FFADHO CCCCOc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000484161106 516307991 /nfs/dbraw/zinc/30/79/91/516307991.db2.gz NLNHWVIWESOJEN-MRXNPFEDSA-N 1 3 350.503 2.981 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@H]2C1 ZINC000497388548 516318393 /nfs/dbraw/zinc/31/83/93/516318393.db2.gz JVMAKDISJRGHQB-QUCCMNQESA-N 1 3 370.541 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@H]2C1 ZINC000497388548 516318395 /nfs/dbraw/zinc/31/83/95/516318395.db2.gz JVMAKDISJRGHQB-QUCCMNQESA-N 1 3 370.541 2.559 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000512673402 516320604 /nfs/dbraw/zinc/32/06/04/516320604.db2.gz QKQUBBQORMNNHM-YUMYIRISSA-N 1 3 358.526 2.664 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000512673402 516320605 /nfs/dbraw/zinc/32/06/05/516320605.db2.gz QKQUBBQORMNNHM-YUMYIRISSA-N 1 3 358.526 2.664 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000512673402 516320607 /nfs/dbraw/zinc/32/06/07/516320607.db2.gz QKQUBBQORMNNHM-YUMYIRISSA-N 1 3 358.526 2.664 20 0 FFADHO CN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000497418175 516321225 /nfs/dbraw/zinc/32/12/25/516321225.db2.gz QFMIZWDUJBQIPQ-JBACZVJFSA-N 1 3 355.526 2.855 20 0 FFADHO CN1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000497418175 516321227 /nfs/dbraw/zinc/32/12/27/516321227.db2.gz QFMIZWDUJBQIPQ-JBACZVJFSA-N 1 3 355.526 2.855 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554241025 516338796 /nfs/dbraw/zinc/33/87/96/516338796.db2.gz SCKVZHNEKDHSMC-MISYRCLQSA-N 1 3 356.514 2.529 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000554253319 516345854 /nfs/dbraw/zinc/34/58/54/516345854.db2.gz OKKNKUQQOFTZKU-HXUWFJFHSA-N 1 3 360.546 2.881 20 0 FFADHO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCCO3)[C@@H]1c1ccccc1 ZINC000561060086 516357458 /nfs/dbraw/zinc/35/74/58/516357458.db2.gz CMKCJXLMFGRNKC-QUCCMNQESA-N 1 3 366.465 2.736 20 0 FFADHO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCCO3)[C@@H]1c1ccccc1 ZINC000561060086 516357460 /nfs/dbraw/zinc/35/74/60/516357460.db2.gz CMKCJXLMFGRNKC-QUCCMNQESA-N 1 3 366.465 2.736 20 0 FFADHO CCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1OCC ZINC000561063420 516359746 /nfs/dbraw/zinc/35/97/46/516359746.db2.gz XYBFVWDOFJTMAC-UHFFFAOYSA-N 1 3 363.546 2.942 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(OC)CCCCC3)CC2)CC1 ZINC000557669215 516372710 /nfs/dbraw/zinc/37/27/10/516372710.db2.gz BFFWWNFUXCOGQF-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000523202362 516407379 /nfs/dbraw/zinc/40/73/79/516407379.db2.gz MJBLQMJKPKADIK-GGPKGHCWSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000523202362 516407390 /nfs/dbraw/zinc/40/73/90/516407390.db2.gz MJBLQMJKPKADIK-GGPKGHCWSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000517701949 516416663 /nfs/dbraw/zinc/41/66/63/516416663.db2.gz BRZDCHOWZQKQEV-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000543762743 516417619 /nfs/dbraw/zinc/41/76/19/516417619.db2.gz YAMURIYPSQLBMP-SSXNTNPLSA-N 1 3 355.526 2.921 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC2(C)CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000561179336 516431198 /nfs/dbraw/zinc/43/11/98/516431198.db2.gz XVSWYCFQOVFDEG-ZBFHGGJFSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000517737917 516432347 /nfs/dbraw/zinc/43/23/47/516432347.db2.gz OHWJSVBMLHAWSY-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000517737917 516432352 /nfs/dbraw/zinc/43/23/52/516432352.db2.gz OHWJSVBMLHAWSY-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517739365 516432579 /nfs/dbraw/zinc/43/25/79/516432579.db2.gz OGMLZFDEUCWKSG-RTWAWAEBSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000540176435 516461594 /nfs/dbraw/zinc/46/15/94/516461594.db2.gz QKVMYMUTZTWLNK-PJPHBNEVSA-N 1 3 352.441 2.701 20 0 FFADHO C[C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)N(C)Cc1ccccc1 ZINC000523596385 516515716 /nfs/dbraw/zinc/51/57/16/516515716.db2.gz YGWWEOIVIVKMRD-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000554622394 516549532 /nfs/dbraw/zinc/54/95/32/516549532.db2.gz PXAKVWJMYFWZRL-RLLQIKCJSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000554622395 516550567 /nfs/dbraw/zinc/55/05/67/516550567.db2.gz PXAKVWJMYFWZRL-YZGWKJHDSA-N 1 3 356.514 2.529 20 0 FFADHO c1ccc2c(c1)OC[C@H](CN[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)O2 ZINC000518164362 516565242 /nfs/dbraw/zinc/56/52/42/516565242.db2.gz RAVGOJRPHKVYOK-HZUJVAHNSA-N 1 3 352.434 2.672 20 0 FFADHO COc1c(Br)cccc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000547822486 516583489 /nfs/dbraw/zinc/58/34/89/516583489.db2.gz PFOULZLISWIKJO-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000531685646 516596412 /nfs/dbraw/zinc/59/64/12/516596412.db2.gz GBYDBJUVANWKHD-QGZVFWFLSA-N 1 3 358.530 2.640 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000513382687 516597227 /nfs/dbraw/zinc/59/72/27/516597227.db2.gz LLRKQBPGNTWXSQ-HXUWFJFHSA-N 1 3 361.530 2.711 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000544180062 516629618 /nfs/dbraw/zinc/62/96/18/516629618.db2.gz ZSQNJOVBABSTTO-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528712491 516636930 /nfs/dbraw/zinc/63/69/30/516636930.db2.gz KIQDKUJGHLVJNM-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000536162013 516657737 /nfs/dbraw/zinc/65/77/37/516657737.db2.gz XWDMZQVHIKGVIM-IZBJGVDFSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000536162013 516657750 /nfs/dbraw/zinc/65/77/50/516657750.db2.gz XWDMZQVHIKGVIM-IZBJGVDFSA-N 1 3 358.530 2.851 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](SC)C(C)(C)C ZINC000544293641 516683641 /nfs/dbraw/zinc/68/36/41/516683641.db2.gz UJTKMSGVWCACFA-IRXDYDNUSA-N 1 3 372.623 2.822 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](SC)C(C)(C)C ZINC000544293641 516683649 /nfs/dbraw/zinc/68/36/49/516683649.db2.gz UJTKMSGVWCACFA-IRXDYDNUSA-N 1 3 372.623 2.822 20 0 FFADHO c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000513656627 516710017 /nfs/dbraw/zinc/71/00/17/516710017.db2.gz WAIQUFIPPIWMGI-BQJUDKOJSA-N 1 3 365.525 2.873 20 0 FFADHO O=C(NCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000513714186 516728523 /nfs/dbraw/zinc/72/85/23/516728523.db2.gz ZWIUVDGQBQAFDR-PCCBWWKXSA-N 1 3 355.526 2.793 20 0 FFADHO O=C(NCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000513714186 516728536 /nfs/dbraw/zinc/72/85/36/516728536.db2.gz ZWIUVDGQBQAFDR-PCCBWWKXSA-N 1 3 355.526 2.793 20 0 FFADHO O=C(NCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000513714186 516728543 /nfs/dbraw/zinc/72/85/43/516728543.db2.gz ZWIUVDGQBQAFDR-PCCBWWKXSA-N 1 3 355.526 2.793 20 0 FFADHO COc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531970488 516737123 /nfs/dbraw/zinc/73/71/23/516737123.db2.gz WNALEXDEJSBIRP-HXUWFJFHSA-N 1 3 359.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000540926250 516776792 /nfs/dbraw/zinc/77/67/92/516776792.db2.gz DSNYNQSJCYXKDM-IEBWSBKVSA-N 1 3 352.482 2.860 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccc(OC)c3)CC2)CC1 ZINC000518792563 516777611 /nfs/dbraw/zinc/77/76/11/516777611.db2.gz MDZJONSHDUMMJW-UHFFFAOYSA-N 1 3 373.541 2.850 20 0 FFADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccnc4ccccc43)c2)C1 ZINC000561881414 516814958 /nfs/dbraw/zinc/81/49/58/516814958.db2.gz GLWGXGNQQBYIFC-IBGZPJMESA-N 1 3 374.488 2.966 20 0 FFADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ccnc4ccccc43)c2)C1 ZINC000561881414 516814969 /nfs/dbraw/zinc/81/49/69/516814969.db2.gz GLWGXGNQQBYIFC-IBGZPJMESA-N 1 3 374.488 2.966 20 0 FFADHO CC[C@@H](NCc1ccccc1CN1CC[NH+](CC)CC1)c1ccn(C)n1 ZINC000544580094 516823344 /nfs/dbraw/zinc/82/33/44/516823344.db2.gz IJXORELMAJSZBY-HXUWFJFHSA-N 1 3 355.530 2.799 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000514046426 516842577 /nfs/dbraw/zinc/84/25/77/516842577.db2.gz RPARNXHGAGLTQV-TZIWHRDSSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000514046426 516842585 /nfs/dbraw/zinc/84/25/85/516842585.db2.gz RPARNXHGAGLTQV-TZIWHRDSSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514062982 516846293 /nfs/dbraw/zinc/84/62/93/516846293.db2.gz OWFXYNYXXQBLIE-HBMCJLEFSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000514062982 516846298 /nfs/dbraw/zinc/84/62/98/516846298.db2.gz OWFXYNYXXQBLIE-HBMCJLEFSA-N 1 3 370.541 2.967 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000561976478 516857360 /nfs/dbraw/zinc/85/73/60/516857360.db2.gz HYNPPNRIRSANPY-JKSUJKDBSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000561976478 516857366 /nfs/dbraw/zinc/85/73/66/516857366.db2.gz HYNPPNRIRSANPY-JKSUJKDBSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c1 ZINC000561976478 516857371 /nfs/dbraw/zinc/85/73/71/516857371.db2.gz HYNPPNRIRSANPY-JKSUJKDBSA-N 1 3 363.502 2.741 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000519178261 516915289 /nfs/dbraw/zinc/91/52/89/516915289.db2.gz FHLWQLLRDQHEES-LEWJYISDSA-N 1 3 373.516 2.994 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000514239745 516919644 /nfs/dbraw/zinc/91/96/44/516919644.db2.gz RDAODUXZWLTAAV-RBUKOAKNSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000514239745 516919653 /nfs/dbraw/zinc/91/96/53/516919653.db2.gz RDAODUXZWLTAAV-RBUKOAKNSA-N 1 3 372.557 2.854 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000514564755 516941833 /nfs/dbraw/zinc/94/18/33/516941833.db2.gz OWYKWNBEJLIPHO-INIZCTEOSA-N 1 3 350.532 2.670 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000558827880 516961135 /nfs/dbraw/zinc/96/11/35/516961135.db2.gz RAWQDDWIOYZJCX-UHFFFAOYSA-N 1 3 373.541 2.902 20 0 FFADHO CC[C@@H](CC(F)(F)F)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000544872177 516969965 /nfs/dbraw/zinc/96/99/65/516969965.db2.gz MSZFJJKLQPRKTG-GJZGRUSLSA-N 1 3 366.472 2.775 20 0 FFADHO CC[C@@H](CC(F)(F)F)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000544872177 516969972 /nfs/dbraw/zinc/96/99/72/516969972.db2.gz MSZFJJKLQPRKTG-GJZGRUSLSA-N 1 3 366.472 2.775 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCC1 ZINC000551997329 517016250 /nfs/dbraw/zinc/01/62/50/517016250.db2.gz VOVVEPXVCOMAQY-WMZOPIPTSA-N 1 3 365.468 2.744 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532532515 517022530 /nfs/dbraw/zinc/02/25/30/517022530.db2.gz VQCNBZFLSDZMQE-UONOGXRCSA-N 1 3 353.894 2.997 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000532532515 517022536 /nfs/dbraw/zinc/02/25/36/517022536.db2.gz VQCNBZFLSDZMQE-UONOGXRCSA-N 1 3 353.894 2.997 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)[C@@H](C)C1 ZINC000532545153 517027756 /nfs/dbraw/zinc/02/77/56/517027756.db2.gz DEDFOSZEOHSAAU-LNLFQRSKSA-N 1 3 364.509 2.526 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)[C@@H](C)C1 ZINC000532545153 517027763 /nfs/dbraw/zinc/02/77/63/517027763.db2.gz DEDFOSZEOHSAAU-LNLFQRSKSA-N 1 3 364.509 2.526 20 0 FFADHO O=C(CCNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1cccc(Cl)c1 ZINC000514788850 517057619 /nfs/dbraw/zinc/05/76/19/517057619.db2.gz OIECMRLKEVJWTM-QZTJIDSGSA-N 1 3 365.905 2.636 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(OCCN(C)C)c1 ZINC000514830589 517076781 /nfs/dbraw/zinc/07/67/81/517076781.db2.gz BTXPHHMKYVCXSF-INIZCTEOSA-N 1 3 350.507 2.786 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(OCCN(C)C)c1 ZINC000514830589 517076788 /nfs/dbraw/zinc/07/67/88/517076788.db2.gz BTXPHHMKYVCXSF-INIZCTEOSA-N 1 3 350.507 2.786 20 0 FFADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000562489273 517139708 /nfs/dbraw/zinc/13/97/08/517139708.db2.gz IALFTVVBGVVGAM-OAHLLOKOSA-N 1 3 356.432 2.719 20 0 FFADHO CN(Cc1cncc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1)[C@H](CO)C(C)(C)C ZINC000562535479 517175144 /nfs/dbraw/zinc/17/51/44/517175144.db2.gz IHZWXBUTENQFHV-RTBURBONSA-N 1 3 365.562 2.759 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000559332073 517188542 /nfs/dbraw/zinc/18/85/42/517188542.db2.gz PVQUUAFCGUONSZ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000559332073 517188553 /nfs/dbraw/zinc/18/85/53/517188553.db2.gz PVQUUAFCGUONSZ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](NC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000515144861 517229021 /nfs/dbraw/zinc/22/90/21/517229021.db2.gz OHIGDNVUYYRZPM-PKOBYXMFSA-N 1 3 373.545 2.718 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C3CC(N4CCCCC4)C3)c2cc1C ZINC000515166369 517235289 /nfs/dbraw/zinc/23/52/89/517235289.db2.gz MOOJGOUNRQABLU-CTWPCTMYSA-N 1 3 356.514 2.621 20 0 FFADHO CCOc1ccc(Cl)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000562623493 517247127 /nfs/dbraw/zinc/24/71/27/517247127.db2.gz UAMGGUBIRUDBJU-UHFFFAOYSA-N 1 3 356.898 2.696 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000556060565 517249066 /nfs/dbraw/zinc/24/90/66/517249066.db2.gz IMNIUNRMBAZSLS-NRFANRHFSA-N 1 3 351.494 2.527 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000537660470 517285040 /nfs/dbraw/zinc/28/50/40/517285040.db2.gz FLRDCAZCJWPBLV-UHFFFAOYSA-N 1 3 357.502 2.590 20 0 FFADHO CN(c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccco1)C1CCN(C)CC1 ZINC000533188581 517332469 /nfs/dbraw/zinc/33/24/69/517332469.db2.gz VXBKDFHIHZQUCG-SFHVURJKSA-N 1 3 371.525 2.751 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000552818109 517403054 /nfs/dbraw/zinc/40/30/54/517403054.db2.gz AOBOTXJPCWNDOB-LJQANCHMSA-N 1 3 361.530 2.926 20 0 FFADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140988 517403529 /nfs/dbraw/zinc/40/35/29/517403529.db2.gz VGTPUANBFDBQPO-HZPDHXFCSA-N 1 3 372.513 2.684 20 0 FFADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140988 517403541 /nfs/dbraw/zinc/40/35/41/517403541.db2.gz VGTPUANBFDBQPO-HZPDHXFCSA-N 1 3 372.513 2.684 20 0 FFADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140988 517403550 /nfs/dbraw/zinc/40/35/50/517403550.db2.gz VGTPUANBFDBQPO-HZPDHXFCSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545907423 517427354 /nfs/dbraw/zinc/42/73/54/517427354.db2.gz ISJLATLEBCXOND-FXAWDEMLSA-N 1 3 352.482 2.545 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000515802705 517481087 /nfs/dbraw/zinc/48/10/87/517481087.db2.gz FWCAKRDSHIFXPI-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000562958875 517533235 /nfs/dbraw/zinc/53/32/35/517533235.db2.gz ZKPZPRJKVPWDRI-HQEOYTPBSA-N 1 3 357.498 2.525 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)Cc1ccccc1 ZINC000546118715 517553179 /nfs/dbraw/zinc/55/31/79/517553179.db2.gz XTSSFAHUNFXXBV-IBGZPJMESA-N 1 3 360.546 2.581 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C1CC1 ZINC000520987633 517571912 /nfs/dbraw/zinc/57/19/12/517571912.db2.gz CIOOTFGHDFYHIQ-APWZRJJASA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N(C)C1CC1 ZINC000520987633 517571923 /nfs/dbraw/zinc/57/19/23/517571923.db2.gz CIOOTFGHDFYHIQ-APWZRJJASA-N 1 3 350.551 2.813 20 0 FFADHO CC[N@H+](CCC1CCN(C[C@H]2CCCS(=O)(=O)C2)CC1)CC(C)C ZINC000560164712 517615451 /nfs/dbraw/zinc/61/54/51/517615451.db2.gz MZZVYSBQYKFZGW-LJQANCHMSA-N 1 3 358.592 2.891 20 0 FFADHO CC[N@@H+](CCC1CCN(C[C@H]2CCCS(=O)(=O)C2)CC1)CC(C)C ZINC000560164712 517615456 /nfs/dbraw/zinc/61/54/56/517615456.db2.gz MZZVYSBQYKFZGW-LJQANCHMSA-N 1 3 358.592 2.891 20 0 FFADHO CN1CCN(Cc2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000556773381 517649777 /nfs/dbraw/zinc/64/97/77/517649777.db2.gz DUGATWZGPMDIGL-UHFFFAOYSA-N 1 3 365.525 2.910 20 0 FFADHO COCCCOc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248441 517653822 /nfs/dbraw/zinc/65/38/22/517653822.db2.gz KSWFXMBFDLVINR-NRFANRHFSA-N 1 3 362.514 2.692 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247916 517654215 /nfs/dbraw/zinc/65/42/15/517654215.db2.gz DAOSTBMAGFZLRZ-LJQANCHMSA-N 1 3 355.482 2.834 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000527381606 517669226 /nfs/dbraw/zinc/66/92/26/517669226.db2.gz ILVXRVZHFJYKHL-UHFFFAOYSA-N 1 3 368.497 2.960 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000542714864 517700958 /nfs/dbraw/zinc/70/09/58/517700958.db2.gz ACLYZPPRQODDFI-KURKYZTESA-N 1 3 352.567 2.726 20 0 FFADHO CN1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)[C@H]1c1ccccc1 ZINC000542770098 517728906 /nfs/dbraw/zinc/72/89/06/517728906.db2.gz MYLHOAHQRVODNH-RBUKOAKNSA-N 1 3 358.530 2.853 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000516578256 517753047 /nfs/dbraw/zinc/75/30/47/517753047.db2.gz AALHQKZXASMKIK-OALUTQOASA-N 1 3 353.551 2.506 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCc3cccs3)CC2)CC1 ZINC000516581578 517753919 /nfs/dbraw/zinc/75/39/19/517753919.db2.gz HNTRUIKIRZNHEI-UHFFFAOYSA-N 1 3 363.571 2.945 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000557039982 517818191 /nfs/dbraw/zinc/81/81/91/517818191.db2.gz JAGXKDJJBPVJRA-HNNXBMFYSA-N 1 3 373.526 2.555 20 0 FFADHO COc1cc2c(cc1CNCC1(SC)CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000517000226 517966413 /nfs/dbraw/zinc/96/64/13/517966413.db2.gz WIYNGXZHQQUNPP-AWEZNQCLSA-N 1 3 350.528 2.936 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000522068165 517976403 /nfs/dbraw/zinc/97/64/03/517976403.db2.gz AZCKAKUYUZKQIY-IBGZPJMESA-N 1 3 350.551 2.912 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944500 517984349 /nfs/dbraw/zinc/98/43/49/517984349.db2.gz NEOWREGLXNPOFN-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522145534 518003291 /nfs/dbraw/zinc/00/32/91/518003291.db2.gz FIWJSLKOZIXCOZ-OAHLLOKOSA-N 1 3 357.420 2.547 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000522145534 518003298 /nfs/dbraw/zinc/00/32/98/518003298.db2.gz FIWJSLKOZIXCOZ-OAHLLOKOSA-N 1 3 357.420 2.547 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000522175958 518015864 /nfs/dbraw/zinc/01/58/64/518015864.db2.gz OQTCEDRJZQLROG-HBFSDRIKSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000522175958 518015870 /nfs/dbraw/zinc/01/58/70/518015870.db2.gz OQTCEDRJZQLROG-HBFSDRIKSA-N 1 3 358.530 2.530 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@@H](NCCn1cnnc1C1CC1)c1ccccc1O2 ZINC000539396612 518027598 /nfs/dbraw/zinc/02/75/98/518027598.db2.gz INBWNGKPQXJDQX-GOSISDBHSA-N 1 3 367.497 2.733 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)[C@H](C)C1 ZINC000528009999 518040047 /nfs/dbraw/zinc/04/00/47/518040047.db2.gz ZUESXSVNMHCETJ-LSTHTHJFSA-N 1 3 359.514 2.540 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517225704 518074697 /nfs/dbraw/zinc/07/46/97/518074697.db2.gz CKUYGANQSBAISG-RTBURBONSA-N 1 3 373.545 2.847 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000563810272 518135360 /nfs/dbraw/zinc/13/53/60/518135360.db2.gz LLRGAUAGJBKDKX-FCHUYYIVSA-N 1 3 371.569 2.866 20 0 FFADHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000517405420 518140551 /nfs/dbraw/zinc/14/05/51/518140551.db2.gz KWXRFHSSNPUGNV-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000517405420 518140555 /nfs/dbraw/zinc/14/05/55/518140555.db2.gz KWXRFHSSNPUGNV-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000531118965 518144340 /nfs/dbraw/zinc/14/43/40/518144340.db2.gz MOAHDVCPXSVODN-UHFFFAOYSA-N 1 3 372.538 2.798 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000528284477 518163723 /nfs/dbraw/zinc/16/37/23/518163723.db2.gz GJIBOPROPYVLCT-QUCCMNQESA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000528284477 518163727 /nfs/dbraw/zinc/16/37/27/518163727.db2.gz GJIBOPROPYVLCT-QUCCMNQESA-N 1 3 356.514 2.577 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000528288224 518165304 /nfs/dbraw/zinc/16/53/04/518165304.db2.gz MACSHSAYXBNRKH-IEBWSBKVSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000528288224 518165308 /nfs/dbraw/zinc/16/53/08/518165308.db2.gz MACSHSAYXBNRKH-IEBWSBKVSA-N 1 3 350.551 2.671 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1ccccc1 ZINC000535362879 518176489 /nfs/dbraw/zinc/17/64/89/518176489.db2.gz UHSVJQQWCQHPJA-YZGWKJHDSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1ccccc1 ZINC000535362879 518176490 /nfs/dbraw/zinc/17/64/90/518176490.db2.gz UHSVJQQWCQHPJA-YZGWKJHDSA-N 1 3 356.514 2.748 20 0 FFADHO CC[C@H]1CCc2nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)sc2C1 ZINC000581349106 518241992 /nfs/dbraw/zinc/24/19/92/518241992.db2.gz CFYNUYMFEHJCIM-AWEZNQCLSA-N 1 3 367.563 2.615 20 0 FFADHO COC[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000578554510 518263872 /nfs/dbraw/zinc/26/38/72/518263872.db2.gz REUYSVIHAILYQS-WLFXSESQSA-N 1 3 352.906 2.851 20 0 FFADHO COC[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000578554510 518263877 /nfs/dbraw/zinc/26/38/77/518263877.db2.gz REUYSVIHAILYQS-WLFXSESQSA-N 1 3 352.906 2.851 20 0 FFADHO C[C@@H](Cc1ccc(F)c(Br)c1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000584287013 518265131 /nfs/dbraw/zinc/26/51/31/518265131.db2.gz QYFLNGRBIFSFGN-SMDDNHRTSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@@H](Cc1ccc(F)c(Br)c1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584287013 518265134 /nfs/dbraw/zinc/26/51/34/518265134.db2.gz QYFLNGRBIFSFGN-SMDDNHRTSA-N 1 3 359.283 2.564 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccnn1-c1ccc(F)cc1 ZINC000575789431 518280541 /nfs/dbraw/zinc/28/05/41/518280541.db2.gz ZNYMMXXBVRZQSV-HXUWFJFHSA-N 1 3 373.520 2.859 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccnn1-c1ccc(F)cc1 ZINC000575789431 518280547 /nfs/dbraw/zinc/28/05/47/518280547.db2.gz ZNYMMXXBVRZQSV-HXUWFJFHSA-N 1 3 373.520 2.859 20 0 FFADHO CCc1cccc(Cl)c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000564192921 518343786 /nfs/dbraw/zinc/34/37/86/518343786.db2.gz JOQFSFCKZIVVJJ-UHFFFAOYSA-N 1 3 351.922 2.792 20 0 FFADHO CC1(C)CN(C2(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])CCCCC2)CCO1 ZINC000578765350 518363890 /nfs/dbraw/zinc/36/38/90/518363890.db2.gz VEPRUYPOOMNPMG-MSOLQXFVSA-N 1 3 365.562 2.824 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H]2CCC[C@@H]21 ZINC000569949035 518371553 /nfs/dbraw/zinc/37/15/53/518371553.db2.gz IODGVOPCDKUPKC-CZYKHXBRSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C[C@@]1(C)C[NH3+] ZINC000578849709 518402627 /nfs/dbraw/zinc/40/26/27/518402627.db2.gz LBJJCXDHKQFGOA-IIHSZXCVSA-N 1 3 364.559 2.757 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000572941487 518430346 /nfs/dbraw/zinc/43/03/46/518430346.db2.gz MMXCNISNJUYNPQ-XLIONFOSSA-N 1 3 372.513 2.767 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NCCN1CCC2(CCCCC2)CC1 ZINC000572976084 518449996 /nfs/dbraw/zinc/44/99/96/518449996.db2.gz BSNCZIFUPUWSDM-SFHVURJKSA-N 1 3 350.551 2.722 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCC3)c(C)c2)CC1 ZINC000578966477 518457167 /nfs/dbraw/zinc/45/71/67/518457167.db2.gz CFIJFGJWWUKIHS-FQEVSTJZSA-N 1 3 373.545 2.776 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578970462 518460079 /nfs/dbraw/zinc/46/00/79/518460079.db2.gz YWXNYUZNYDVZJF-NRFANRHFSA-N 1 3 362.562 2.818 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000579009400 518479870 /nfs/dbraw/zinc/47/98/70/518479870.db2.gz XFNISPWZLHIFMF-IRLDBZIGSA-N 1 3 367.493 2.989 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C(=O)OC)c3)CC2)CC1 ZINC000567364803 518487067 /nfs/dbraw/zinc/48/70/67/518487067.db2.gz VAWVYVDREBBYPI-UHFFFAOYSA-N 1 3 373.497 2.608 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573070909 518490910 /nfs/dbraw/zinc/49/09/10/518490910.db2.gz CYUUTIUKIKKNHR-ZWKOTPCHSA-N 1 3 372.513 2.625 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573070907 518491180 /nfs/dbraw/zinc/49/11/80/518491180.db2.gz CYUUTIUKIKKNHR-QZTJIDSGSA-N 1 3 372.513 2.625 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000579107253 518525860 /nfs/dbraw/zinc/52/58/60/518525860.db2.gz FEGNWHVLVUSQRI-VQTJNVASSA-N 1 3 352.482 2.557 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c2cccs2)CC1 ZINC000564644031 518541446 /nfs/dbraw/zinc/54/14/46/518541446.db2.gz LEQIZTYOXIZIRM-BRWVUGGUSA-N 1 3 364.559 2.818 20 0 FFADHO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC(CC[NH3+])CC1 ZINC000564661963 518551789 /nfs/dbraw/zinc/55/17/89/518551789.db2.gz UVWXBJMOQDLIFL-OAHLLOKOSA-N 1 3 367.921 2.627 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[NH2+]1 ZINC000579212023 518575764 /nfs/dbraw/zinc/57/57/64/518575764.db2.gz MHJWUXKXERFOJN-CRAIPNDOSA-N 1 3 362.543 2.540 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H]1c1cccs1 ZINC000573308438 518604686 /nfs/dbraw/zinc/60/46/86/518604686.db2.gz GBZMKHVQTHERCU-RYRKJORJSA-N 1 3 364.559 2.948 20 0 FFADHO Cc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(-c2ccnn2C)c1 ZINC000570465973 518621610 /nfs/dbraw/zinc/62/16/10/518621610.db2.gz XDPCPGYIGQWEMI-YADHBBJMSA-N 1 3 368.525 2.863 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@@H]3CCCC[C@H]3C[NH3+])c2)C1=O ZINC000567639639 518628401 /nfs/dbraw/zinc/62/84/01/518628401.db2.gz BDQFZSBQNNLMHH-RRMPHLOHSA-N 1 3 370.497 2.519 20 0 FFADHO [NH3+][C@@H]1C[C@H](NCc2ccc(CN3CCC(O)CC3)cc2)c2ccccc21 ZINC000564824698 518635163 /nfs/dbraw/zinc/63/51/63/518635163.db2.gz WRQJRTISSKTECL-YADHBBJMSA-N 1 3 351.494 2.878 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c(OC)c1 ZINC000576578785 518660929 /nfs/dbraw/zinc/66/09/29/518660929.db2.gz OCBBBXXKJMOTSC-FOVLHFFESA-N 1 3 360.498 2.708 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564933944 518702818 /nfs/dbraw/zinc/70/28/18/518702818.db2.gz KXMPHGLUHCEGRY-ZIFCJYIRSA-N 1 3 367.578 2.749 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573549036 518719686 /nfs/dbraw/zinc/71/96/86/518719686.db2.gz VPMBUDITEFZQBU-CBQOVEMMSA-N 1 3 370.541 2.682 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(F)F)cc3)CC2)CC1 ZINC000588102042 518726571 /nfs/dbraw/zinc/72/65/71/518726571.db2.gz DPIVBWJPPLVBGE-UHFFFAOYSA-N 1 3 351.441 2.913 20 0 FFADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000564988649 518732381 /nfs/dbraw/zinc/73/23/81/518732381.db2.gz LECRXCRTKVJDFE-LJQANCHMSA-N 1 3 355.482 2.853 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000576729870 518736041 /nfs/dbraw/zinc/73/60/41/518736041.db2.gz DTOQOYBPXIPJSI-AZUAARDMSA-N 1 3 358.530 2.758 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000573580335 518736825 /nfs/dbraw/zinc/73/68/25/518736825.db2.gz VAGJWGRNPFUJNS-JXFKEZNVSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000573580335 518736833 /nfs/dbraw/zinc/73/68/33/518736833.db2.gz VAGJWGRNPFUJNS-JXFKEZNVSA-N 1 3 354.498 2.813 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000579572550 518746032 /nfs/dbraw/zinc/74/60/32/518746032.db2.gz YAXXOGWEBVYCCC-WBVHZDCISA-N 1 3 352.548 2.818 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)COC4)CC2)CC1 ZINC000576765763 518753135 /nfs/dbraw/zinc/75/31/35/518753135.db2.gz PZNNFDSHIQZTCX-UHFFFAOYSA-N 1 3 357.498 2.852 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccc(F)cc4C3)CC2)CC1 ZINC000565179405 518829378 /nfs/dbraw/zinc/82/93/78/518829378.db2.gz ABFQSIHZLXOLAC-UHFFFAOYSA-N 1 3 373.516 2.907 20 0 FFADHO Cc1ccc(NC(=O)C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000568050820 518849355 /nfs/dbraw/zinc/84/93/55/518849355.db2.gz HJKJCEYHCXQAPW-UHFFFAOYSA-N 1 3 364.493 2.886 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000576989354 518863134 /nfs/dbraw/zinc/86/31/34/518863134.db2.gz XVGMWRXJABMTMZ-SJORKVTESA-N 1 3 369.303 2.656 20 0 FFADHO C[C@H](CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)N(C)Cc1ccccc1 ZINC000579813293 518867453 /nfs/dbraw/zinc/86/74/53/518867453.db2.gz FQEVEZCXFQWFDS-CRAIPNDOSA-N 1 3 367.497 2.540 20 0 FFADHO [NH3+]C1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000573940621 518911743 /nfs/dbraw/zinc/91/17/43/518911743.db2.gz RLSMNTAMVYFVEZ-OAHLLOKOSA-N 1 3 350.532 2.846 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000579935844 518927960 /nfs/dbraw/zinc/92/79/60/518927960.db2.gz MJCIRYDXQIFWRZ-RCCFBDPRSA-N 1 3 364.921 2.630 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCC[C@@H]([NH3+])C3)nc12 ZINC000568249344 518948986 /nfs/dbraw/zinc/94/89/86/518948986.db2.gz NVXWDMZMIXZJTR-ZIAGYGMSSA-N 1 3 351.292 2.807 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCCS3)CC2)CC1 ZINC000580092431 519004845 /nfs/dbraw/zinc/00/48/45/519004845.db2.gz GSFLGIKWZXLUAJ-GOSISDBHSA-N 1 3 353.576 2.585 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000568371787 519007131 /nfs/dbraw/zinc/00/71/31/519007131.db2.gz VQWGKLFJOJYKMU-IBGZPJMESA-N 1 3 372.557 2.976 20 0 FFADHO [NH3+][C@@H](CC(=O)NC[C@H](c1cccs1)N1CCCC1)Cc1ccccc1 ZINC000582961183 519008811 /nfs/dbraw/zinc/00/88/11/519008811.db2.gz UCJHNJUKRVUCNY-QZTJIDSGSA-N 1 3 357.523 2.961 20 0 FFADHO O=C1CCCN1CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000582970068 519013823 /nfs/dbraw/zinc/01/38/23/519013823.db2.gz LAZATUFGDYCWNG-PWRODBHTSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CCCN1CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000582970068 519013830 /nfs/dbraw/zinc/01/38/30/519013830.db2.gz LAZATUFGDYCWNG-PWRODBHTSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CCCN1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000582970068 519013835 /nfs/dbraw/zinc/01/38/35/519013835.db2.gz LAZATUFGDYCWNG-PWRODBHTSA-N 1 3 355.526 2.889 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000574186503 519030141 /nfs/dbraw/zinc/03/01/41/519030141.db2.gz RZTLZODIRHVNSY-NRFANRHFSA-N 1 3 356.514 2.551 20 0 FFADHO C[NH+]1CCC(Oc2ccc(CNC(=O)CN3CCC(C)(C)C3)cc2)CC1 ZINC000571701447 519228985 /nfs/dbraw/zinc/22/89/85/519228985.db2.gz XNWRUOSTTWWTPK-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000574584766 519229245 /nfs/dbraw/zinc/22/92/45/519229245.db2.gz LBNQGBLPWFFGQZ-HXUWFJFHSA-N 1 3 352.482 2.926 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnn1-c1ccccc1 ZINC000583408596 519230945 /nfs/dbraw/zinc/23/09/45/519230945.db2.gz FEZWTJVIARUXTA-FQEVSTJZSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnn1-c1ccccc1 ZINC000583408596 519230948 /nfs/dbraw/zinc/23/09/48/519230948.db2.gz FEZWTJVIARUXTA-FQEVSTJZSA-N 1 3 355.530 2.720 20 0 FFADHO c1ncn(-c2ccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)n1 ZINC000577840127 519282429 /nfs/dbraw/zinc/28/24/29/519282429.db2.gz MSBRRIMMDRGFQR-PZJWPPBQSA-N 1 3 361.449 2.613 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H]3c3ncc[nH]3)CC2)CC1 ZINC000574701685 519288058 /nfs/dbraw/zinc/28/80/58/519288058.db2.gz IGHSNRBCAHYEMZ-IBGZPJMESA-N 1 3 373.545 2.660 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107977 519304803 /nfs/dbraw/zinc/30/48/03/519304803.db2.gz SONPHDGMNNTGJO-IRLDBZIGSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107977 519304811 /nfs/dbraw/zinc/30/48/11/519304811.db2.gz SONPHDGMNNTGJO-IRLDBZIGSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107977 519304816 /nfs/dbraw/zinc/30/48/16/519304816.db2.gz SONPHDGMNNTGJO-IRLDBZIGSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)COCc1ccccc1F ZINC000566112006 519308212 /nfs/dbraw/zinc/30/82/12/519308212.db2.gz PKDGPCRQIMPHBA-HXUWFJFHSA-N 1 3 373.472 2.604 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000569101596 519379110 /nfs/dbraw/zinc/37/91/10/519379110.db2.gz ZSLBVVYFFQZQDU-XHSDSOJGSA-N 1 3 352.548 2.946 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNCC[C@@H](C)[NH+]3CCCCC3)c2cc1C ZINC000580829881 519382949 /nfs/dbraw/zinc/38/29/49/519382949.db2.gz XUSQMLGWZMNRFO-RTBURBONSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]CC[C@@H](C)N3CCCCC3)c2cc1C ZINC000580829881 519382957 /nfs/dbraw/zinc/38/29/57/519382957.db2.gz XUSQMLGWZMNRFO-RTBURBONSA-N 1 3 358.530 2.868 20 0 FFADHO CN(Cc1c(F)cccc1Cl)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245384 519390532 /nfs/dbraw/zinc/39/05/32/519390532.db2.gz OUKHCWDXHREDSB-GJZGRUSLSA-N 1 3 367.896 2.759 20 0 FFADHO C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC[C@H]1C ZINC000583858146 519469608 /nfs/dbraw/zinc/46/96/08/519469608.db2.gz FFQWUGODJWSZFN-RYRKJORJSA-N 1 3 353.576 2.583 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000583891291 519487203 /nfs/dbraw/zinc/48/72/03/519487203.db2.gz BEFLMJLYPZGNLF-IFMALSPDSA-N 1 3 358.574 2.657 20 0 FFADHO CCOc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000581066848 519507400 /nfs/dbraw/zinc/50/74/00/519507400.db2.gz YOIOZQIYGKPODA-KRWDZBQOSA-N 1 3 350.503 2.678 20 0 FFADHO COCCOc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000583962212 519519375 /nfs/dbraw/zinc/51/93/75/519519375.db2.gz ISDBPZSHLSKUHK-IBGZPJMESA-N 1 3 362.514 2.884 20 0 FFADHO COc1cc2c(c(CNCC3(SC)CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000572269786 519529158 /nfs/dbraw/zinc/52/91/58/519529158.db2.gz OIDTXCJPWHEUOT-CQSZACIVSA-N 1 3 350.528 2.936 20 0 FFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000566549120 519545266 /nfs/dbraw/zinc/54/52/66/519545266.db2.gz BIECTFMJQLTKII-HXUWFJFHSA-N 1 3 371.525 2.575 20 0 FFADHO C[C@H](NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000581185018 519565102 /nfs/dbraw/zinc/56/51/02/519565102.db2.gz AHXYRDPYQGGGKP-IMJJTQAJSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)[C@H]1CCCNC1 ZINC000581185018 519565106 /nfs/dbraw/zinc/56/51/06/519565106.db2.gz AHXYRDPYQGGGKP-IMJJTQAJSA-N 1 3 360.420 2.714 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc4c(c3)COC4)CC2)CC1 ZINC000581259780 519603760 /nfs/dbraw/zinc/60/37/60/519603760.db2.gz UUHCRDGOGZAKIT-UHFFFAOYSA-N 1 3 371.525 2.529 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000584127418 519604081 /nfs/dbraw/zinc/60/40/81/519604081.db2.gz ZZSDJRQMJIXFEH-IBGZPJMESA-N 1 3 360.546 2.880 20 0 FFADHO COc1cc(CN(C)CCN2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000566679553 519608091 /nfs/dbraw/zinc/60/80/91/519608091.db2.gz YNBSZFFKKPODFI-UHFFFAOYSA-N 1 3 369.509 2.611 20 0 FFADHO C[N@H+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCC1 ZINC000591416217 519620174 /nfs/dbraw/zinc/62/01/74/519620174.db2.gz JOEYJAPQNSHXST-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCC1 ZINC000591416217 519620178 /nfs/dbraw/zinc/62/01/78/519620178.db2.gz JOEYJAPQNSHXST-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000591431304 519622872 /nfs/dbraw/zinc/62/28/72/519622872.db2.gz KPIWLNQSYCYVJX-KURKYZTESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)N(C)C1CC1 ZINC000591540655 519943194 /nfs/dbraw/zinc/94/31/94/519943194.db2.gz UUKWVSHKMUQIIV-KRWDZBQOSA-N 1 3 350.551 2.957 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000591542578 519944754 /nfs/dbraw/zinc/94/47/54/519944754.db2.gz CVXLSKXMVXRTEN-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000591542578 519944758 /nfs/dbraw/zinc/94/47/58/519944758.db2.gz CVXLSKXMVXRTEN-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000608437491 519977073 /nfs/dbraw/zinc/97/70/73/519977073.db2.gz BTWPCPWWDJMFHS-NHCUHLMSSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000608437491 519977081 /nfs/dbraw/zinc/97/70/81/519977081.db2.gz BTWPCPWWDJMFHS-NHCUHLMSSA-N 1 3 370.541 2.634 20 0 FFADHO Cn1nc(CNCCc2ccc(OCC[NH+](C)C)cc2)c2ccccc21 ZINC000591721733 520010997 /nfs/dbraw/zinc/01/09/97/520010997.db2.gz JTIXVNNHXQSGBE-UHFFFAOYSA-N 1 3 352.482 2.846 20 0 FFADHO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000608684937 520081074 /nfs/dbraw/zinc/08/10/74/520081074.db2.gz DGGGPTFWYPGVQP-LEWJYISDSA-N 1 3 368.525 2.869 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCCCCC1 ZINC000594968178 520234589 /nfs/dbraw/zinc/23/45/89/520234589.db2.gz VFNUILVEDUVMOE-RTBURBONSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000612976467 520251588 /nfs/dbraw/zinc/25/15/88/520251588.db2.gz IWLGJXBPCWBEPB-ACBHZAAOSA-N 1 3 362.562 2.671 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000616993372 520264664 /nfs/dbraw/zinc/26/46/64/520264664.db2.gz HFHBAYDUOGJPOR-RTBURBONSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000616993372 520264672 /nfs/dbraw/zinc/26/46/72/520264672.db2.gz HFHBAYDUOGJPOR-RTBURBONSA-N 1 3 358.530 2.530 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600720678 520423486 /nfs/dbraw/zinc/42/34/86/520423486.db2.gz JDXDGSDVTIXBNI-VXESANQCSA-N 1 3 354.535 2.571 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600729375 520429387 /nfs/dbraw/zinc/42/93/87/520429387.db2.gz FQPYDWLQOXKELN-MPQSDHOMSA-N 1 3 368.562 2.817 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600729375 520429393 /nfs/dbraw/zinc/42/93/93/520429393.db2.gz FQPYDWLQOXKELN-MPQSDHOMSA-N 1 3 368.562 2.817 20 0 FFADHO CC(C)CN1CC[C@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600729375 520429400 /nfs/dbraw/zinc/42/94/00/520429400.db2.gz FQPYDWLQOXKELN-MPQSDHOMSA-N 1 3 368.562 2.817 20 0 FFADHO CC[C@@H](COCC1CC1)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000617336337 520437934 /nfs/dbraw/zinc/43/79/34/520437934.db2.gz UHMKSGHSCCKGEB-IBGZPJMESA-N 1 3 365.562 2.504 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000604116739 520455991 /nfs/dbraw/zinc/45/59/91/520455991.db2.gz ZRJHISXXHZZFEP-TZIWHRDSSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000604116739 520456000 /nfs/dbraw/zinc/45/60/00/520456000.db2.gz ZRJHISXXHZZFEP-TZIWHRDSSA-N 1 3 370.541 2.967 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000600858458 520500203 /nfs/dbraw/zinc/50/02/03/520500203.db2.gz JPDGNIUAPUMZNK-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000600858458 520500208 /nfs/dbraw/zinc/50/02/08/520500208.db2.gz JPDGNIUAPUMZNK-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1nc2c(F)cccc2cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502642 520537779 /nfs/dbraw/zinc/53/77/79/520537779.db2.gz XACGMLKWYRJZLM-AWEZNQCLSA-N 1 3 360.477 2.684 20 0 FFADHO Cc1nc2c(F)cccc2cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502642 520537781 /nfs/dbraw/zinc/53/77/81/520537781.db2.gz XACGMLKWYRJZLM-AWEZNQCLSA-N 1 3 360.477 2.684 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cs1 ZINC000617504889 520542796 /nfs/dbraw/zinc/54/27/96/520542796.db2.gz OAQYWLABQAGNOO-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cs1 ZINC000617504889 520542804 /nfs/dbraw/zinc/54/28/04/520542804.db2.gz OAQYWLABQAGNOO-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000617507741 520546276 /nfs/dbraw/zinc/54/62/76/520546276.db2.gz HZHQCUHMZRJJNG-ZDUSSCGKSA-N 1 3 364.440 2.515 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2c(F)ccc(F)c2c1 ZINC000617507741 520546281 /nfs/dbraw/zinc/54/62/81/520546281.db2.gz HZHQCUHMZRJJNG-ZDUSSCGKSA-N 1 3 364.440 2.515 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000595658044 520629703 /nfs/dbraw/zinc/62/97/03/520629703.db2.gz NOAPLTIUOUCTID-LJQANCHMSA-N 1 3 359.518 2.568 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000595658044 520629712 /nfs/dbraw/zinc/62/97/12/520629712.db2.gz NOAPLTIUOUCTID-LJQANCHMSA-N 1 3 359.518 2.568 20 0 FFADHO CN(CCCN1CCN(C)CC1)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598985921 520960352 /nfs/dbraw/zinc/96/03/52/520960352.db2.gz FASNFILULYLION-UHFFFAOYSA-N 1 3 367.559 2.773 20 0 FFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598985921 520960361 /nfs/dbraw/zinc/96/03/61/520960361.db2.gz FASNFILULYLION-UHFFFAOYSA-N 1 3 367.559 2.773 20 0 FFADHO COC(=O)c1ccc(C[NH2+]CC2CCN(Cc3cccs3)CC2)n1C ZINC000602009087 521074572 /nfs/dbraw/zinc/07/45/72/521074572.db2.gz VAKGEBIHSUDKOC-UHFFFAOYSA-N 1 3 361.511 2.875 20 0 FFADHO C[NH+]1CCC(CC(=O)N2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC000614662284 521076740 /nfs/dbraw/zinc/07/67/40/521076740.db2.gz YURUTRBYYJEOOF-UHFFFAOYSA-N 1 3 352.482 2.615 20 0 FFADHO COC(=O)[C@@](C)(O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596594436 521152745 /nfs/dbraw/zinc/15/27/45/521152745.db2.gz VAFJROHYVDERSW-KNQAVFIVSA-N 1 3 374.525 2.533 20 0 FFADHO COC(=O)[C@@](C)(O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596594436 521152751 /nfs/dbraw/zinc/15/27/51/521152751.db2.gz VAFJROHYVDERSW-KNQAVFIVSA-N 1 3 374.525 2.533 20 0 FFADHO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000594058444 521377698 /nfs/dbraw/zinc/37/76/98/521377698.db2.gz KFCVTCBRDYQZLA-UHFFFAOYSA-N 1 3 363.546 2.606 20 0 FFADHO C[C@@H](C(=O)N(C)[C@@H]1CCCN(C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607687162 521429236 /nfs/dbraw/zinc/42/92/36/521429236.db2.gz MOALDDUQBALOGW-GHTZIAJQSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000615671961 521498460 /nfs/dbraw/zinc/49/84/60/521498460.db2.gz ATTFTKMYBXPKRC-QZTJIDSGSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000615671961 521498467 /nfs/dbraw/zinc/49/84/67/521498467.db2.gz ATTFTKMYBXPKRC-QZTJIDSGSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@@H](N3CCCCC3)C2)([NH+](C)C)C1 ZINC000594292901 521542594 /nfs/dbraw/zinc/54/25/94/521542594.db2.gz HESWNZSZLSCQKM-QWFCFKBJSA-N 1 3 350.551 2.767 20 0 FFADHO Brc1cccc(CN2CCC(NCC34CC(C3)C[NH2+]4)CC2)c1 ZINC000634996959 521857850 /nfs/dbraw/zinc/85/78/50/521857850.db2.gz ZSTHMCZOBOUXNW-UHFFFAOYSA-N 1 3 364.331 2.755 20 0 FFADHO Brc1cccc(CN2CCC([NH2+]CC34CC(C3)CN4)CC2)c1 ZINC000634996959 521857858 /nfs/dbraw/zinc/85/78/58/521857858.db2.gz ZSTHMCZOBOUXNW-UHFFFAOYSA-N 1 3 364.331 2.755 20 0 FFADHO COc1ccc(C(=O)Nc2cccc(CN3C[C@@H](C[NH3+])[C@H](C)C3)c2)cc1 ZINC000634998077 521858907 /nfs/dbraw/zinc/85/89/07/521858907.db2.gz AIBDXPSEKZHZDE-CRAIPNDOSA-N 1 3 353.466 2.974 20 0 FFADHO COCCOc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1 ZINC000635010780 521863593 /nfs/dbraw/zinc/86/35/93/521863593.db2.gz VMGARCDYGWGIJZ-INIZCTEOSA-N 1 3 356.470 2.690 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623465819 522043792 /nfs/dbraw/zinc/04/37/92/522043792.db2.gz FYXJPRIDXQVOKG-MJGOQNOKSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623465819 522043803 /nfs/dbraw/zinc/04/38/03/522043803.db2.gz FYXJPRIDXQVOKG-MJGOQNOKSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C1=CCN(C)CC1 ZINC000626408622 522169154 /nfs/dbraw/zinc/16/91/54/522169154.db2.gz CFPNERUBRHXVEJ-BULFRSBZSA-N 1 3 367.537 2.911 20 0 FFADHO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)C1=CCN(C)CC1 ZINC000626408622 522169162 /nfs/dbraw/zinc/16/91/62/522169162.db2.gz CFPNERUBRHXVEJ-BULFRSBZSA-N 1 3 367.537 2.911 20 0 FFADHO CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000623725232 522243692 /nfs/dbraw/zinc/24/36/92/522243692.db2.gz QDOZNKWFEKSFRW-HXUWFJFHSA-N 1 3 353.466 2.544 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635453411 522275627 /nfs/dbraw/zinc/27/56/27/522275627.db2.gz QIVKWQZHUNGMCK-UHFFFAOYSA-N 1 3 361.555 2.952 20 0 FFADHO C[C@@H](Cc1ccc(F)c(Br)c1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629572333 522325684 /nfs/dbraw/zinc/32/56/84/522325684.db2.gz ZPDWYUUHZDRFNL-JSGCOSHPSA-N 1 3 359.283 2.566 20 0 FFADHO COc1ccc([C@@H]2CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cc1F ZINC000629588472 522337097 /nfs/dbraw/zinc/33/70/97/522337097.db2.gz IKTWKBRGJHHJKK-HOJAQTOUSA-N 1 3 358.457 2.555 20 0 FFADHO COc1ccc([C@@H]2CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cc1F ZINC000629588472 522337104 /nfs/dbraw/zinc/33/71/04/522337104.db2.gz IKTWKBRGJHHJKK-HOJAQTOUSA-N 1 3 358.457 2.555 20 0 FFADHO CN(CCOCC[NH3+])Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000629662233 522379950 /nfs/dbraw/zinc/37/99/50/522379950.db2.gz DNJJVRDNLSWANO-UHFFFAOYSA-N 1 3 361.873 2.999 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C[C@@H](C)O1 ZINC000620756966 522409897 /nfs/dbraw/zinc/40/98/97/522409897.db2.gz NNGOLALWKRJNPA-IAGOWNOFSA-N 1 3 359.514 2.558 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000632938063 522411161 /nfs/dbraw/zinc/41/11/61/522411161.db2.gz BSAWMEJFZCJLCW-VQTJNVASSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000632938063 522411170 /nfs/dbraw/zinc/41/11/70/522411170.db2.gz BSAWMEJFZCJLCW-VQTJNVASSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@H](CCc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000624000045 522416064 /nfs/dbraw/zinc/41/60/64/522416064.db2.gz MMJGHRYFPGQWFK-OAQYLSRUSA-N 1 3 359.558 2.784 20 0 FFADHO CN1CCN(Cc2ccccc2-c2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000629735110 522423605 /nfs/dbraw/zinc/42/36/05/522423605.db2.gz IMELBUKLPRYUMH-UHFFFAOYSA-N 1 3 364.537 2.506 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)[C@@H]3c3ccco3)CC2)CC1 ZINC000632978884 522447227 /nfs/dbraw/zinc/44/72/27/522447227.db2.gz JNNUERKZTQOZSB-IBGZPJMESA-N 1 3 374.529 2.931 20 0 FFADHO C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)C1CC[NH+](C)CC1 ZINC000624166595 522518514 /nfs/dbraw/zinc/51/85/14/522518514.db2.gz FYWOIXFZBZNRKD-MLGOLLRUSA-N 1 3 353.869 2.904 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000626934120 522540294 /nfs/dbraw/zinc/54/02/94/522540294.db2.gz STSRCXKQMAJIAA-JKSUJKDBSA-N 1 3 350.532 2.715 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626978297 522569350 /nfs/dbraw/zinc/56/93/50/522569350.db2.gz BVPMBCUFZSBYBS-OALUTQOASA-N 1 3 356.514 2.797 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@H](O)C[C@@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000630037965 522597078 /nfs/dbraw/zinc/59/70/78/522597078.db2.gz MJXSMNAHBHGQBX-BRKWEVRTSA-N 1 3 360.542 2.883 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@H](O)C[C@@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000630037965 522597087 /nfs/dbraw/zinc/59/70/87/522597087.db2.gz MJXSMNAHBHGQBX-BRKWEVRTSA-N 1 3 360.542 2.883 20 0 FFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000630044926 522604852 /nfs/dbraw/zinc/60/48/52/522604852.db2.gz PCIVUAZUHFQDIA-NHCUHLMSSA-N 1 3 361.530 2.532 20 0 FFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000630044926 522604855 /nfs/dbraw/zinc/60/48/55/522604855.db2.gz PCIVUAZUHFQDIA-NHCUHLMSSA-N 1 3 361.530 2.532 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000633287104 522644895 /nfs/dbraw/zinc/64/48/95/522644895.db2.gz BFDGLTWOMHWUEW-HXUWFJFHSA-N 1 3 370.541 2.885 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000627197711 522711127 /nfs/dbraw/zinc/71/11/27/522711127.db2.gz FMTOYRVZCFSWBL-IZBJGVDFSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624610586 522817210 /nfs/dbraw/zinc/81/72/10/522817210.db2.gz VXCOALMCGDWABA-PZJWPPBQSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624610586 522817215 /nfs/dbraw/zinc/81/72/15/522817215.db2.gz VXCOALMCGDWABA-PZJWPPBQSA-N 1 3 372.557 2.882 20 0 FFADHO CN(C)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000636304033 522901479 /nfs/dbraw/zinc/90/14/79/522901479.db2.gz QMUMNVPRPQOZJU-CZUORRHYSA-N 1 3 357.420 2.766 20 0 FFADHO CN(C)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000636304033 522901482 /nfs/dbraw/zinc/90/14/82/522901482.db2.gz QMUMNVPRPQOZJU-CZUORRHYSA-N 1 3 357.420 2.766 20 0 FFADHO COc1ccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000621641119 522991569 /nfs/dbraw/zinc/99/15/69/522991569.db2.gz ADOPHJCZVUOJNB-YLJYHZDGSA-N 1 3 359.514 2.728 20 0 FFADHO O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000621647422 522994242 /nfs/dbraw/zinc/99/42/42/522994242.db2.gz IQYKJIVQICJHKJ-GOSISDBHSA-N 1 3 359.514 2.557 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000624946617 523048436 /nfs/dbraw/zinc/04/84/36/523048436.db2.gz ZGAQKLKJGDQYMH-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000624946617 523048445 /nfs/dbraw/zinc/04/84/45/523048445.db2.gz ZGAQKLKJGDQYMH-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000636553659 523063648 /nfs/dbraw/zinc/06/36/48/523063648.db2.gz CNBWDQKHJWQXAL-JKSUJKDBSA-N 1 3 362.522 2.534 20 0 FFADHO C[C@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000636553659 523063665 /nfs/dbraw/zinc/06/36/65/523063665.db2.gz CNBWDQKHJWQXAL-JKSUJKDBSA-N 1 3 362.522 2.534 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)CCN3CCc4ccccc4C3)cn2)CC1 ZINC000634094953 523181814 /nfs/dbraw/zinc/18/18/14/523181814.db2.gz GMJUMQQTNDYTSK-UHFFFAOYSA-N 1 3 367.497 2.537 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044696 523235529 /nfs/dbraw/zinc/23/55/29/523235529.db2.gz PRZKEEOIOCSKOJ-IIBYNOLFSA-N 1 3 367.493 2.695 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)N(C)C1CC1 ZINC000625202756 523253227 /nfs/dbraw/zinc/25/32/27/523253227.db2.gz FAFCLZAGJUSVGU-ORYQWCPZSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N(C)C1CC1 ZINC000625202756 523253237 /nfs/dbraw/zinc/25/32/37/523253237.db2.gz FAFCLZAGJUSVGU-ORYQWCPZSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000634260590 523283217 /nfs/dbraw/zinc/28/32/17/523283217.db2.gz UMCZPHLZGHCWPK-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(F)c3F)CC2)CC1 ZINC000634307376 523323824 /nfs/dbraw/zinc/32/38/24/523323824.db2.gz JNEFDYLCWSWDIU-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637015094 523366834 /nfs/dbraw/zinc/36/68/34/523366834.db2.gz LLMGQQFGCGXIAL-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO COc1cc(F)cc(OC)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000631171011 523432419 /nfs/dbraw/zinc/43/24/19/523432419.db2.gz GPEWYUZELYRYRX-UHFFFAOYSA-N 1 3 366.477 2.824 20 0 FFADHO C[C@](O)(C[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722155 523609871 /nfs/dbraw/zinc/60/98/71/523609871.db2.gz KREDLMQEYPBVEA-BDTNDASRSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722155 523609881 /nfs/dbraw/zinc/60/98/81/523609881.db2.gz KREDLMQEYPBVEA-BDTNDASRSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722155 523609896 /nfs/dbraw/zinc/60/98/96/523609896.db2.gz KREDLMQEYPBVEA-BDTNDASRSA-N 1 3 372.553 2.790 20 0 FFADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(C)ccn1 ZINC000631636680 523730018 /nfs/dbraw/zinc/73/00/18/523730018.db2.gz LGUFGAKIPLCAOP-IBGZPJMESA-N 1 3 360.546 2.617 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000077455239 728275537 /nfs/dbraw/zinc/27/55/37/728275537.db2.gz VJPFQLZHBXIEGS-GOSISDBHSA-N 1 3 350.409 2.728 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c2cccs2)CC1 ZINC000195122149 729530049 /nfs/dbraw/zinc/53/00/49/729530049.db2.gz RDKYWQKHPVNAKD-DLBZAZTESA-N 1 3 364.559 2.915 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)c2cccs2)CC1 ZINC000195122149 729530051 /nfs/dbraw/zinc/53/00/51/729530051.db2.gz RDKYWQKHPVNAKD-DLBZAZTESA-N 1 3 364.559 2.915 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262065925 729658346 /nfs/dbraw/zinc/65/83/46/729658346.db2.gz ROJYFFGBMSGCNA-MRXNPFEDSA-N 1 3 357.420 2.833 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c2cccs2)CC1 ZINC000333886346 729812068 /nfs/dbraw/zinc/81/20/68/729812068.db2.gz FWWJCEKCGWTYEB-GVDBMIGSSA-N 1 3 364.559 2.900 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924951377 738465420 /nfs/dbraw/zinc/46/54/20/738465420.db2.gz LUCKYAZOTHJQPK-QAPCUYQASA-N 1 3 350.938 2.976 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000645489800 730562439 /nfs/dbraw/zinc/56/24/39/730562439.db2.gz NTMSJPDMNSFQKS-MOPGFXCFSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000645489800 730562441 /nfs/dbraw/zinc/56/24/41/730562441.db2.gz NTMSJPDMNSFQKS-MOPGFXCFSA-N 1 3 350.551 2.909 20 0 FFADHO CCc1cc(Cl)cnc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000861604565 730627813 /nfs/dbraw/zinc/62/78/13/730627813.db2.gz JUNMLXPXWAXHHF-ZDUSSCGKSA-N 1 3 355.914 2.691 20 0 FFADHO CCc1cc(Cl)cnc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000861604565 730627814 /nfs/dbraw/zinc/62/78/14/730627814.db2.gz JUNMLXPXWAXHHF-ZDUSSCGKSA-N 1 3 355.914 2.691 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000647938336 730776224 /nfs/dbraw/zinc/77/62/24/730776224.db2.gz JZDRQBURTJRCEA-FZMZJTMJSA-N 1 3 372.282 2.976 20 0 FFADHO COCC[C@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000865403722 730950459 /nfs/dbraw/zinc/95/04/59/730950459.db2.gz NDFZWVNDGXPKJJ-CQSZACIVSA-N 1 3 357.539 2.815 20 0 FFADHO COc1ncc(Br)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000865545727 730968781 /nfs/dbraw/zinc/96/87/81/730968781.db2.gz OCMWHCCFZPVZJX-UHFFFAOYSA-N 1 3 354.292 2.817 20 0 FFADHO CC[N@H+](CCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000651220572 731066283 /nfs/dbraw/zinc/06/62/83/731066283.db2.gz MEAOAGMPCNJDSX-IBGZPJMESA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@@H+](CCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000651220572 731066286 /nfs/dbraw/zinc/06/62/86/731066286.db2.gz MEAOAGMPCNJDSX-IBGZPJMESA-N 1 3 350.551 2.909 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C2 ZINC000652119712 731167822 /nfs/dbraw/zinc/16/78/22/731167822.db2.gz VJXLERCEVHOIRB-FCEWJHQRSA-N 1 3 362.543 2.655 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925484803 738510015 /nfs/dbraw/zinc/51/00/15/738510015.db2.gz ILUYFYRHNWYVFH-VQTJNVASSA-N 1 3 364.555 2.749 20 0 FFADHO C[C@H](N)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1 ZINC000925491414 738510379 /nfs/dbraw/zinc/51/03/79/738510379.db2.gz CMIARIMXYQDZOE-XKGZKEIXSA-N 1 3 358.555 2.715 20 0 FFADHO C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000925582237 738516217 /nfs/dbraw/zinc/51/62/17/738516217.db2.gz DENICNAPGLDNAC-CJNGLKHVSA-N 1 3 357.420 2.952 20 0 FFADHO CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000653600915 731277122 /nfs/dbraw/zinc/27/71/22/731277122.db2.gz YLSGLYQBSDYCJD-NVXWUHKLSA-N 1 3 350.503 2.980 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)N1CC(C)C1 ZINC000654972489 731415636 /nfs/dbraw/zinc/41/56/36/731415636.db2.gz YUWQIGLCBUCIGB-DDUZABMNSA-N 1 3 367.896 2.928 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)N1CC(C)C1 ZINC000654972489 731415638 /nfs/dbraw/zinc/41/56/38/731415638.db2.gz YUWQIGLCBUCIGB-DDUZABMNSA-N 1 3 367.896 2.928 20 0 FFADHO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000872138288 731732992 /nfs/dbraw/zinc/73/29/92/731732992.db2.gz VDVMTPUCZUFIQP-AUUYWEPGSA-N 1 3 350.503 2.978 20 0 FFADHO CS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925829451 738533872 /nfs/dbraw/zinc/53/38/72/738533872.db2.gz OGBVKAUIULNBCA-OKZBNKHCSA-N 1 3 350.528 2.533 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000925833436 738534708 /nfs/dbraw/zinc/53/47/08/738534708.db2.gz IYGZBZXUAGNPHJ-AEFFLSMTSA-N 1 3 352.544 2.923 20 0 FFADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)cs1 ZINC000925849621 738536437 /nfs/dbraw/zinc/53/64/37/738536437.db2.gz JMWIQVBOKCQSAX-CMPLNLGQSA-N 1 3 373.316 2.847 20 0 FFADHO O=C1O[C@@H](CN[C@H]2CCCOc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925852552 738537274 /nfs/dbraw/zinc/53/72/74/738537274.db2.gz OVUURNURUHIFHL-CJNGLKHVSA-N 1 3 364.873 2.829 20 0 FFADHO O=C1CCCN1Cc1ccc(CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210965 731891362 /nfs/dbraw/zinc/89/13/62/731891362.db2.gz FOONYIKFVMVJFB-UHFFFAOYSA-N 1 3 355.507 2.806 20 0 FFADHO C[C@@H]1CCCN(CCCS(=O)(=O)c2ccc(F)cc2)[C@@H]1CCC[NH3+] ZINC000662316465 732296385 /nfs/dbraw/zinc/29/63/85/732296385.db2.gz WQJKBJDFJSEMIX-CRAIPNDOSA-N 1 3 356.507 2.829 20 0 FFADHO Clc1cccc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662335708 732299804 /nfs/dbraw/zinc/29/98/04/732299804.db2.gz PEIKHAVWVWJGKA-INIZCTEOSA-N 1 3 359.905 2.852 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000877159621 732329349 /nfs/dbraw/zinc/32/93/49/732329349.db2.gz ZYLGICXIXYTTSI-IRXDYDNUSA-N 1 3 360.889 2.510 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000663446479 732442546 /nfs/dbraw/zinc/44/25/46/732442546.db2.gz OVFQSQSOAFETBC-GJZGRUSLSA-N 1 3 354.926 2.972 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000663446479 732442549 /nfs/dbraw/zinc/44/25/49/732442549.db2.gz OVFQSQSOAFETBC-GJZGRUSLSA-N 1 3 354.926 2.972 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc(C(C)(C)C)cs1 ZINC000664007332 732527231 /nfs/dbraw/zinc/52/72/31/732527231.db2.gz PSPZRMSZGOPMCM-AWEZNQCLSA-N 1 3 369.579 2.512 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc(C(C)(C)C)cs1 ZINC000664007332 732527234 /nfs/dbraw/zinc/52/72/34/732527234.db2.gz PSPZRMSZGOPMCM-AWEZNQCLSA-N 1 3 369.579 2.512 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857658 732909263 /nfs/dbraw/zinc/90/92/63/732909263.db2.gz CWIUHSGXBWQIHG-TZMCWYRMSA-N 1 3 354.292 2.898 20 0 FFADHO COc1cc(C)c(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667535298 733010236 /nfs/dbraw/zinc/01/02/36/733010236.db2.gz BEWVKYJPZICSGJ-INIZCTEOSA-N 1 3 350.507 2.706 20 0 FFADHO COc1cc(C)c(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667535298 733010238 /nfs/dbraw/zinc/01/02/38/733010238.db2.gz BEWVKYJPZICSGJ-INIZCTEOSA-N 1 3 350.507 2.706 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000669858859 733279021 /nfs/dbraw/zinc/27/90/21/733279021.db2.gz DCWGJGIXNMTPDC-CQSZACIVSA-N 1 3 350.532 2.667 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000672884723 733563802 /nfs/dbraw/zinc/56/38/02/733563802.db2.gz ZKEOJITUZRYCCP-ZOBUZTSGSA-N 1 3 350.507 2.738 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(F)c1OC ZINC000885992379 733739154 /nfs/dbraw/zinc/73/91/54/733739154.db2.gz GLBKKJWFHDTPEP-HUUCEWRRSA-N 1 3 354.466 2.822 20 0 FFADHO Cc1ccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000726239005 734415106 /nfs/dbraw/zinc/41/51/06/734415106.db2.gz HQMSBOQRNDSDNY-HNNXBMFYSA-N 1 3 364.559 2.975 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000891543975 734443985 /nfs/dbraw/zinc/44/39/85/734443985.db2.gz VPQIKSHAQGJOKY-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000891543975 734443990 /nfs/dbraw/zinc/44/39/90/734443990.db2.gz VPQIKSHAQGJOKY-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=S)NC[C@H](c1cccs1)N1CCCC1 ZINC000727066403 734462509 /nfs/dbraw/zinc/46/25/09/734462509.db2.gz LBDRNHIAEMWXBN-OAHLLOKOSA-N 1 3 368.616 2.937 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=S)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000727075314 734463730 /nfs/dbraw/zinc/46/37/30/734463730.db2.gz JKEGGVMHHPQCAA-GOSISDBHSA-N 1 3 362.587 2.703 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)N(C)C)cc1 ZINC000891922437 734495759 /nfs/dbraw/zinc/49/57/59/734495759.db2.gz NWOJQDIQHKNCID-SQNIBIBYSA-N 1 3 362.543 2.547 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000892192762 734527268 /nfs/dbraw/zinc/52/72/68/734527268.db2.gz OSRGSZJAOIVUPV-DOTOQJQBSA-N 1 3 358.368 2.650 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCN(C)C1 ZINC000892513051 734568454 /nfs/dbraw/zinc/56/84/54/734568454.db2.gz ZAAJEQKVCGJBIL-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCN(C)C1 ZINC000892513051 734568457 /nfs/dbraw/zinc/56/84/57/734568457.db2.gz ZAAJEQKVCGJBIL-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cnc(CC(F)(F)F)s3)C2)CC1 ZINC000892947299 734627156 /nfs/dbraw/zinc/62/71/56/734627156.db2.gz BTRFDUJESDVMKO-GFCCVEGCSA-N 1 3 362.465 2.506 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000740677331 735080979 /nfs/dbraw/zinc/08/09/79/735080979.db2.gz MEZRWTYQJQEFMH-UHFFFAOYSA-N 1 3 356.495 2.609 20 0 FFADHO CCC[N@H+](CC)CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000747661323 735579712 /nfs/dbraw/zinc/57/97/12/735579712.db2.gz NOJDGKHAWGVSEF-UHFFFAOYSA-N 1 3 362.587 2.847 20 0 FFADHO CCC[N@@H+](CC)CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000747661323 735579717 /nfs/dbraw/zinc/57/97/17/735579717.db2.gz NOJDGKHAWGVSEF-UHFFFAOYSA-N 1 3 362.587 2.847 20 0 FFADHO C[C@H]1C[C@H](NC(=S)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000751041377 735841800 /nfs/dbraw/zinc/84/18/00/735841800.db2.gz YBAQJMOHTLFTGX-QFBILLFUSA-N 1 3 360.571 2.598 20 0 FFADHO C[C@H]1C[C@H](NC(=S)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000751041377 735841803 /nfs/dbraw/zinc/84/18/03/735841803.db2.gz YBAQJMOHTLFTGX-QFBILLFUSA-N 1 3 360.571 2.598 20 0 FFADHO COC(=O)N1CCC[C@@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345675 735935271 /nfs/dbraw/zinc/93/52/71/735935271.db2.gz FUNUUQSPSUVAHT-RHSMWYFYSA-N 1 3 355.429 2.955 20 0 FFADHO CCNC(=O)N1CC[C@@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902351676 735936000 /nfs/dbraw/zinc/93/60/00/735936000.db2.gz FQPBCMOSZHMLSQ-RHSMWYFYSA-N 1 3 354.445 2.528 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NCCNC(=O)c2cccc(Br)c2)C1 ZINC000902364314 735937249 /nfs/dbraw/zinc/93/72/49/735937249.db2.gz RSPHBDNKZMFBJK-OAHLLOKOSA-N 1 3 368.319 2.547 20 0 FFADHO Fc1ccc(OC2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c(F)c1 ZINC000903722402 736159624 /nfs/dbraw/zinc/15/96/24/736159624.db2.gz LWBDSNCPWUINGB-LPHOPBHVSA-N 1 3 352.425 2.577 20 0 FFADHO COc1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(SC)cc1OC ZINC000904392779 736248221 /nfs/dbraw/zinc/24/82/21/736248221.db2.gz ZTIAXHKWYMYQJB-HNNXBMFYSA-N 1 3 366.527 2.756 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cnn(-c3ccc(Cl)cc3)c1)CC2 ZINC000904390597 736248327 /nfs/dbraw/zinc/24/83/27/736248327.db2.gz AWJURHLXZKFACD-GOSISDBHSA-N 1 3 360.889 2.856 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)ncc1F ZINC000762747485 736863660 /nfs/dbraw/zinc/86/36/60/736863660.db2.gz MTGKXCDTJAOALV-OLZOCXBDSA-N 1 3 374.298 2.871 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)ncc1F ZINC000762747485 736863666 /nfs/dbraw/zinc/86/36/66/736863666.db2.gz MTGKXCDTJAOALV-OLZOCXBDSA-N 1 3 374.298 2.871 20 0 FFADHO O[C@H](CN1CCC[C@H]1Cc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000920762150 737925564 /nfs/dbraw/zinc/92/55/64/737925564.db2.gz LATXZCJGHNIUQN-ROUUACIJSA-N 1 3 367.331 2.913 20 0 FFADHO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775396792 738090160 /nfs/dbraw/zinc/09/01/60/738090160.db2.gz XCSIGELZYJVTHI-APWZRJJASA-N 1 3 350.503 2.729 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@H](O)c3ccc(F)cc3Cl)C2)C1 ZINC000923389677 738278339 /nfs/dbraw/zinc/27/83/39/738278339.db2.gz VQWWOJIEFVRKEU-YENGBRFLSA-N 1 3 356.869 2.731 20 0 FFADHO C[C@](O)(C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930060158 739053695 /nfs/dbraw/zinc/05/36/95/739053695.db2.gz GCXXUCPIRWVRCX-YUTCNCBUSA-N 1 3 356.379 2.884 20 0 FFADHO C[C@](O)(C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930060158 739053699 /nfs/dbraw/zinc/05/36/99/739053699.db2.gz GCXXUCPIRWVRCX-YUTCNCBUSA-N 1 3 356.379 2.884 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)s1 ZINC000930373240 739096205 /nfs/dbraw/zinc/09/62/05/739096205.db2.gz ICTXXWLKTHNSQY-VXNCWWDNSA-N 1 3 350.528 2.614 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)s1 ZINC000930373240 739096206 /nfs/dbraw/zinc/09/62/06/739096206.db2.gz ICTXXWLKTHNSQY-VXNCWWDNSA-N 1 3 350.528 2.614 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000931432347 739263510 /nfs/dbraw/zinc/26/35/10/739263510.db2.gz NEAQQPICPCQJOI-HZSPNIEDSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000931432347 739263515 /nfs/dbraw/zinc/26/35/15/739263515.db2.gz NEAQQPICPCQJOI-HZSPNIEDSA-N 1 3 359.297 2.617 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934394 742223326 /nfs/dbraw/zinc/22/33/26/742223326.db2.gz GJNQBXLIRXDMKA-APPDUMDISA-N 1 3 364.287 2.995 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccc(F)c(F)c1 ZINC000818984299 742321028 /nfs/dbraw/zinc/32/10/28/742321028.db2.gz DHJMUXJKVNJRBT-SFHVURJKSA-N 1 3 350.409 2.728 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)c2cccc(Br)c2)CCCO1 ZINC000819266173 742364139 /nfs/dbraw/zinc/36/41/39/742364139.db2.gz WSMWVRVIYACZHR-YOEHRIQHSA-N 1 3 371.319 2.573 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)c2cccc(Br)c2)CCCO1 ZINC000819266173 742364142 /nfs/dbraw/zinc/36/41/42/742364142.db2.gz WSMWVRVIYACZHR-YOEHRIQHSA-N 1 3 371.319 2.573 20 0 FFADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1(C)C ZINC000819285571 742368164 /nfs/dbraw/zinc/36/81/64/742368164.db2.gz ABFSISJLQMBTHC-INIZCTEOSA-N 1 3 360.329 2.642 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3cc4ccccc4s3)C2)CC[N@@H+]1C ZINC001014476952 742468646 /nfs/dbraw/zinc/46/86/46/742468646.db2.gz UAXVQRXJXRVQMO-QGPMSJSTSA-N 1 3 357.523 2.932 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3cc4ccccc4s3)C2)CC[N@H+]1C ZINC001014476952 742468650 /nfs/dbraw/zinc/46/86/50/742468650.db2.gz UAXVQRXJXRVQMO-QGPMSJSTSA-N 1 3 357.523 2.932 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC001045043829 743245832 /nfs/dbraw/zinc/24/58/32/743245832.db2.gz OEAAJOVKRVOZKJ-XOKHGSTOSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(Cl)cc2F)CC[N@H+]1C ZINC001045043829 743245839 /nfs/dbraw/zinc/24/58/39/743245839.db2.gz OEAAJOVKRVOZKJ-XOKHGSTOSA-N 1 3 367.896 2.900 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCC(F)(F)F)CC[N@@H+]1C ZINC001049481738 743465573 /nfs/dbraw/zinc/46/55/73/743465573.db2.gz JHDFHTGNBDIOMH-ZJIFWQFVSA-N 1 3 361.452 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCC(F)(F)F)CC[N@H+]1C ZINC001049481738 743465574 /nfs/dbraw/zinc/46/55/74/743465574.db2.gz JHDFHTGNBDIOMH-ZJIFWQFVSA-N 1 3 361.452 2.734 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(Cl)n1 ZINC000827127881 743513649 /nfs/dbraw/zinc/51/36/49/743513649.db2.gz XELJZKMHMXRVCE-CKEIUWERSA-N 1 3 366.937 2.918 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827595139 743608127 /nfs/dbraw/zinc/60/81/27/743608127.db2.gz XMIXBMRVPTVUTO-XNRPHZJLSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827595139 743608133 /nfs/dbraw/zinc/60/81/33/743608133.db2.gz XMIXBMRVPTVUTO-XNRPHZJLSA-N 1 3 352.910 2.670 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830745058 745423952 /nfs/dbraw/zinc/42/39/52/745423952.db2.gz AYVDFRYJDBVJJM-HOCLYGCPSA-N 1 3 352.910 2.624 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830745058 745423955 /nfs/dbraw/zinc/42/39/55/745423955.db2.gz AYVDFRYJDBVJJM-HOCLYGCPSA-N 1 3 352.910 2.624 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363770 747818193 /nfs/dbraw/zinc/81/81/93/747818193.db2.gz PXJXCUBJUFLDIA-AWEZNQCLSA-N 1 3 367.896 2.902 20 0 FFADHO COC1CCN(C2(CNC(=[NH2+])NCCc3cccs3)CCCC2)CC1 ZINC000849101539 749051069 /nfs/dbraw/zinc/05/10/69/749051069.db2.gz KFUGBLRFXSLVAO-UHFFFAOYSA-N 1 3 364.559 2.828 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](COC)c1ccc(Cl)cc1 ZINC000849114645 749056172 /nfs/dbraw/zinc/05/61/72/749056172.db2.gz PICQFWJFTMRXHT-NVXWUHKLSA-N 1 3 352.910 2.668 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2nc(C)sc2C)C1 ZINC001104872569 971066328 /nfs/dbraw/zinc/06/63/28/971066328.db2.gz ODUKIXQJDFQMQB-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2nc(C)sc2C)C1 ZINC001104872569 971066339 /nfs/dbraw/zinc/06/63/39/971066339.db2.gz ODUKIXQJDFQMQB-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1 ZINC001087908953 971070937 /nfs/dbraw/zinc/07/09/37/971070937.db2.gz UBJSZKXCFCZBTK-WSTZPKSXSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1 ZINC001087908953 971070940 /nfs/dbraw/zinc/07/09/40/971070940.db2.gz UBJSZKXCFCZBTK-WSTZPKSXSA-N 1 3 359.489 2.509 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2csc(C)c2)C1 ZINC001104938132 971188976 /nfs/dbraw/zinc/18/89/76/971188976.db2.gz PXCQOUDZGMZOIW-CRAIPNDOSA-N 1 3 351.560 2.973 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001105064289 971438102 /nfs/dbraw/zinc/43/81/02/971438102.db2.gz HROGISOLSGVRLF-NVXWUHKLSA-N 1 3 367.484 2.879 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896744746 971687567 /nfs/dbraw/zinc/68/75/67/971687567.db2.gz DEENASRSNVWBER-YLJYHZDGSA-N 1 3 361.530 2.925 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896744746 971687570 /nfs/dbraw/zinc/68/75/70/971687570.db2.gz DEENASRSNVWBER-YLJYHZDGSA-N 1 3 361.530 2.925 20 0 FFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCc3cccc(F)c3)CC2)C1=O ZINC001275862395 1013109867 /nfs/dbraw/zinc/10/98/67/1013109867.db2.gz FRBPXQSGBXMLEF-OAQYLSRUSA-N 1 3 361.505 2.634 20 0 FFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCc3cccc(F)c3)CC2)C1=O ZINC001275862395 1013109872 /nfs/dbraw/zinc/10/98/72/1013109872.db2.gz FRBPXQSGBXMLEF-OAQYLSRUSA-N 1 3 361.505 2.634 20 0 FFADHO CCc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cc1 ZINC000974608303 972056833 /nfs/dbraw/zinc/05/68/33/972056833.db2.gz YRCHXLFBXFFKPS-AHRSYUTCSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cc1 ZINC000974608303 972056839 /nfs/dbraw/zinc/05/68/39/972056839.db2.gz YRCHXLFBXFFKPS-AHRSYUTCSA-N 1 3 357.542 2.916 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4cnncc43)CC2)CC1 ZINC000655025602 959300727 /nfs/dbraw/zinc/30/07/27/959300727.db2.gz IIDAQTAHKBAUKO-UHFFFAOYSA-N 1 3 367.497 2.765 20 0 FFADHO c1cnn(Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655694983 961097364 /nfs/dbraw/zinc/09/73/64/961097364.db2.gz JISNYYLDNAIYSY-OAQYLSRUSA-N 1 3 354.498 2.664 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1C(F)F ZINC001275974529 1013247031 /nfs/dbraw/zinc/24/70/31/1013247031.db2.gz XZEUGUOLQZLISB-IAGOWNOFSA-N 1 3 351.441 2.751 20 0 FFADHO Cc1cccc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1F ZINC001275999012 1013268044 /nfs/dbraw/zinc/26/80/44/1013268044.db2.gz AWUKWMMKPHNOMD-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001095437996 1013374306 /nfs/dbraw/zinc/37/43/06/1013374306.db2.gz SLBRGVLNWGGNCZ-IZJVMPCUSA-N 1 3 367.537 2.737 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001095437996 1013374310 /nfs/dbraw/zinc/37/43/10/1013374310.db2.gz SLBRGVLNWGGNCZ-IZJVMPCUSA-N 1 3 367.537 2.737 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000649373463 1013384519 /nfs/dbraw/zinc/38/45/19/1013384519.db2.gz ZXQYFXJTFOIBGI-HXUWFJFHSA-N 1 3 370.541 2.622 20 0 FFADHO Cc1nsc(C)c1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C ZINC001087134726 963077499 /nfs/dbraw/zinc/07/74/99/963077499.db2.gz CZRBFBLRYPOZKA-RPVQJOFSSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)sn1 ZINC001104319126 963265830 /nfs/dbraw/zinc/26/58/30/963265830.db2.gz DVXKCBWTBFRNDC-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO CC(C)[C@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCC1 ZINC000089723560 963520029 /nfs/dbraw/zinc/52/00/29/963520029.db2.gz WJCIFFACRXYJAC-XLIONFOSSA-N 1 3 361.530 2.925 20 0 FFADHO CC(C)Oc1ccccc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261862003 964059995 /nfs/dbraw/zinc/05/99/95/964059995.db2.gz NGTANNYYXXYRGB-IEBWSBKVSA-N 1 3 359.514 2.554 20 0 FFADHO CCCCOCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104363775 964099639 /nfs/dbraw/zinc/09/96/39/964099639.db2.gz HVACBXHJHLYGKG-QZTJIDSGSA-N 1 3 355.567 2.608 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873304836 1013471774 /nfs/dbraw/zinc/47/17/74/1013471774.db2.gz AYTHWNSSZUMQPJ-ICSRJNTNSA-N 1 3 374.554 2.684 20 0 FFADHO Nc1ccnc(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000891448091 964192161 /nfs/dbraw/zinc/19/21/61/964192161.db2.gz FKTYDSOIWRQLHH-LJQANCHMSA-N 1 3 353.470 2.518 20 0 FFADHO Nc1ccnc(CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000891448091 964192169 /nfs/dbraw/zinc/19/21/69/964192169.db2.gz FKTYDSOIWRQLHH-LJQANCHMSA-N 1 3 353.470 2.518 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)[C@@H]1c1ccccc1 ZINC000891722914 964961870 /nfs/dbraw/zinc/96/18/70/964961870.db2.gz LRJOBDVVUKGPEL-BBTUJRGHSA-N 1 3 358.530 2.838 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000648169566 965930397 /nfs/dbraw/zinc/93/03/97/965930397.db2.gz XZGYGZDAURUSCS-DSKINZAPSA-N 1 3 373.541 2.974 20 0 FFADHO CO[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001167529203 966077165 /nfs/dbraw/zinc/07/71/65/966077165.db2.gz DLXCEDOCGXRABP-NHCUHLMSSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001087212771 966579958 /nfs/dbraw/zinc/57/99/58/966579958.db2.gz PIYPWPYEFSVMFV-VYDXJSESSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC001087213492 966594777 /nfs/dbraw/zinc/59/47/77/966594777.db2.gz XUSIRCURGRPBHZ-CEXWTWQISA-N 1 3 365.562 2.504 20 0 FFADHO COCCOc1cccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657594008 966938502 /nfs/dbraw/zinc/93/85/02/966938502.db2.gz GHJLQHAKPGWVDF-OAQYLSRUSA-N 1 3 370.493 2.568 20 0 FFADHO COCCOc1cccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657594008 966938509 /nfs/dbraw/zinc/93/85/09/966938509.db2.gz GHJLQHAKPGWVDF-OAQYLSRUSA-N 1 3 370.493 2.568 20 0 FFADHO COc1cc(C)c(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1OC ZINC000657594690 966940368 /nfs/dbraw/zinc/94/03/68/966940368.db2.gz KKANVFZJCJQMJS-HXUWFJFHSA-N 1 3 370.493 2.869 20 0 FFADHO COc1cc(C)c(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OC ZINC000657594690 966940374 /nfs/dbraw/zinc/94/03/74/966940374.db2.gz KKANVFZJCJQMJS-HXUWFJFHSA-N 1 3 370.493 2.869 20 0 FFADHO CCN(C)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657613862 966962778 /nfs/dbraw/zinc/96/27/78/966962778.db2.gz UTIZDBNPUAFRHH-UHFFFAOYSA-N 1 3 353.514 2.935 20 0 FFADHO c1ccc(CN2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)nc1 ZINC001167989379 967068748 /nfs/dbraw/zinc/06/87/48/967068748.db2.gz ZCZANLIEKSKUDH-GPBITIKQSA-N 1 3 366.553 2.851 20 0 FFADHO CCN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCN(C)C1 ZINC000665016669 967251875 /nfs/dbraw/zinc/25/18/75/967251875.db2.gz BBVIPEJQAWUEPM-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCN(C)C1 ZINC000665016669 967251883 /nfs/dbraw/zinc/25/18/83/967251883.db2.gz BBVIPEJQAWUEPM-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC001075784790 967312898 /nfs/dbraw/zinc/31/28/98/967312898.db2.gz HVCLYLJPJBSDTR-PCCBWWKXSA-N 1 3 355.526 2.635 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001075784790 967312909 /nfs/dbraw/zinc/31/29/09/967312909.db2.gz HVCLYLJPJBSDTR-PCCBWWKXSA-N 1 3 355.526 2.635 20 0 FFADHO COc1cc2c(cc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)O[C@@H](C)C2 ZINC000650721815 967602836 /nfs/dbraw/zinc/60/28/36/967602836.db2.gz CERJHQBKMDTKKD-JPCHKZQCSA-N 1 3 360.498 2.879 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(OC)c1OC ZINC000650721768 967602995 /nfs/dbraw/zinc/60/29/95/967602995.db2.gz ATRIDBFRADMMFM-JFIYKMOQSA-N 1 3 364.486 2.573 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798815 967651695 /nfs/dbraw/zinc/65/16/95/967651695.db2.gz PJNQYOARXDHQEN-CEWLAPEOSA-N 1 3 371.500 2.509 20 0 FFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001075800479 967668479 /nfs/dbraw/zinc/66/84/79/967668479.db2.gz ZXQYPAOSNZXTGP-BTVLFMTNSA-N 1 3 365.521 2.574 20 0 FFADHO COc1cccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1F ZINC000397577119 967715584 /nfs/dbraw/zinc/71/55/84/967715584.db2.gz CWZIVWSPRFBOJO-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000665255570 967869540 /nfs/dbraw/zinc/86/95/40/967869540.db2.gz WWRARSPLIPXFBB-IHPCNDPISA-N 1 3 354.498 2.932 20 0 FFADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000665277200 967968109 /nfs/dbraw/zinc/96/81/09/967968109.db2.gz WNCMCWIUUKVOKR-HMXCVIKNSA-N 1 3 357.542 2.645 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112166985 968679754 /nfs/dbraw/zinc/67/97/54/968679754.db2.gz BXEYWWQRPHCWCZ-KFWWJZLASA-N 1 3 351.457 2.742 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001024966987 969421300 /nfs/dbraw/zinc/42/13/00/969421300.db2.gz JEAKKELVNRVIHU-DJIMGWMZSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001024966987 969421304 /nfs/dbraw/zinc/42/13/04/969421304.db2.gz JEAKKELVNRVIHU-DJIMGWMZSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892599083 969553788 /nfs/dbraw/zinc/55/37/88/969553788.db2.gz PEYHQZBONWMTCB-WJMWBRGCSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C[NH+]1CCCCC1 ZINC000659031380 969646407 /nfs/dbraw/zinc/64/64/07/969646407.db2.gz NXEXXCQEPOETJP-VQIMIIECSA-N 1 3 360.502 2.591 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000659032571 969648002 /nfs/dbraw/zinc/64/80/02/969648002.db2.gz RYTPWJHWKXTVNS-HXUWFJFHSA-N 1 3 368.481 2.731 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C(C)(C)C ZINC000659034876 969651920 /nfs/dbraw/zinc/65/19/20/969651920.db2.gz RJNLNMIMHMPEFO-ZWKOTPCHSA-N 1 3 362.518 2.835 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000647552076 969695822 /nfs/dbraw/zinc/69/58/22/969695822.db2.gz FBJHPRHJGXBGTH-PKOBYXMFSA-N 1 3 358.486 2.707 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)c2ccccc2O1 ZINC000659286289 969799849 /nfs/dbraw/zinc/79/98/49/969799849.db2.gz XDXQIAAZPOIINU-FUHWJXTLSA-N 1 3 351.450 2.577 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000659445699 969936787 /nfs/dbraw/zinc/93/67/87/969936787.db2.gz SOFKFOSJTAFQHJ-HOJAQTOUSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N(C)Cc1ccccc1 ZINC000659453779 969943962 /nfs/dbraw/zinc/94/39/62/969943962.db2.gz QQHKFEIHLOUIIL-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1ncccc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104639854 970007655 /nfs/dbraw/zinc/00/76/55/970007655.db2.gz YZCKNJOEWFWYIV-NSISKUIASA-N 1 3 360.546 2.550 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001104676340 970084557 /nfs/dbraw/zinc/08/45/57/970084557.db2.gz FYNVVROJTGXZHI-ZHALLVOQSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1ccc(CC[NH2+]CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001104679094 970087424 /nfs/dbraw/zinc/08/74/24/970087424.db2.gz GDHIJJPUMNPILU-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC/C(Cl)=C\Cl)C2)C1 ZINC001104678767 970088471 /nfs/dbraw/zinc/08/84/71/970088471.db2.gz BHYLIQCBUYTWIW-CPZNBUCUSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC/C(Cl)=C\Cl)C2)C1 ZINC001104678767 970088486 /nfs/dbraw/zinc/08/84/86/970088486.db2.gz BHYLIQCBUYTWIW-CPZNBUCUSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CCC(F)(F)F ZINC001104683612 970099788 /nfs/dbraw/zinc/09/97/88/970099788.db2.gz NMLXTIPQNNGCGT-HUUCEWRRSA-N 1 3 363.468 2.745 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665367442 970403135 /nfs/dbraw/zinc/40/31/35/970403135.db2.gz XSTLQFWABVNHAO-SFHVURJKSA-N 1 3 364.509 2.772 20 0 FFADHO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)C2 ZINC000895458735 970639422 /nfs/dbraw/zinc/63/94/22/970639422.db2.gz YLYNJEPAZZTNFF-HYYMAHQNSA-N 1 3 354.494 2.971 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]3C2)C1 ZINC001088107389 972829455 /nfs/dbraw/zinc/82/94/55/972829455.db2.gz VLDZTXIMBUKJOR-RTWAWAEBSA-N 1 3 369.553 2.741 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]3C2)C1 ZINC001088107389 972829471 /nfs/dbraw/zinc/82/94/71/972829471.db2.gz VLDZTXIMBUKJOR-RTWAWAEBSA-N 1 3 369.553 2.741 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@@H]3C2)cc1 ZINC001088109738 972840716 /nfs/dbraw/zinc/84/07/16/972840716.db2.gz WBHIEHJCGMXBIO-FSSWDIPSSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@@H]3C2)cc1 ZINC001088109738 972840729 /nfs/dbraw/zinc/84/07/29/972840729.db2.gz WBHIEHJCGMXBIO-FSSWDIPSSA-N 1 3 371.569 2.912 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000665637746 973784936 /nfs/dbraw/zinc/78/49/36/973784936.db2.gz NLTJAMKZEWPOAI-AZUAARDMSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000665637746 973784947 /nfs/dbraw/zinc/78/49/47/973784947.db2.gz NLTJAMKZEWPOAI-AZUAARDMSA-N 1 3 360.546 2.675 20 0 FFADHO CC1(C)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCc2ccccc21 ZINC000661212127 973911404 /nfs/dbraw/zinc/91/14/04/973911404.db2.gz SMLGYGUNDIVDPM-UHFFFAOYSA-N 1 3 355.526 2.565 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCc2ccccc21 ZINC000665763992 974092973 /nfs/dbraw/zinc/09/29/73/974092973.db2.gz QYVPABINOJGEDP-HKUYNNGSSA-N 1 3 360.546 2.630 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCc2ccccc21 ZINC000665763992 974092981 /nfs/dbraw/zinc/09/29/81/974092981.db2.gz QYVPABINOJGEDP-HKUYNNGSSA-N 1 3 360.546 2.630 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000665763606 974098446 /nfs/dbraw/zinc/09/84/46/974098446.db2.gz GSMQFZRQYNFEKV-MSOLQXFVSA-N 1 3 360.546 2.630 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000665763606 974098452 /nfs/dbraw/zinc/09/84/52/974098452.db2.gz GSMQFZRQYNFEKV-MSOLQXFVSA-N 1 3 360.546 2.630 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H](C[NH3+])CC(C)C)cc1 ZINC000662805793 974142598 /nfs/dbraw/zinc/14/25/98/974142598.db2.gz LXLLTWQBKUILDX-PXNSSMCTSA-N 1 3 361.530 2.959 20 0 FFADHO C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000652190919 974689415 /nfs/dbraw/zinc/68/94/15/974689415.db2.gz CKMSQMZJCZBLDP-LIRRHRJNSA-N 1 3 358.461 2.775 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nncnn2)cc1 ZINC000652308008 974806117 /nfs/dbraw/zinc/80/61/17/974806117.db2.gz WIJSTIPCPFTRGT-UWJYYQICSA-N 1 3 374.492 2.934 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nncnn2)cc1 ZINC000652308008 974806121 /nfs/dbraw/zinc/80/61/21/974806121.db2.gz WIJSTIPCPFTRGT-UWJYYQICSA-N 1 3 374.492 2.934 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001211674400 974899224 /nfs/dbraw/zinc/89/92/24/974899224.db2.gz CGQYUVOFKYCKED-BBWFWOEESA-N 1 3 371.447 2.863 20 0 FFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360478 974997526 /nfs/dbraw/zinc/99/75/26/974997526.db2.gz JAXXIXHBRDEHSG-AFYVEPGGSA-N 1 3 359.514 2.567 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297813 975410938 /nfs/dbraw/zinc/41/09/38/975410938.db2.gz SGIUQCBWLZXFFL-FUHWJXTLSA-N 1 3 359.514 2.584 20 0 FFADHO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296855 975413528 /nfs/dbraw/zinc/41/35/28/975413528.db2.gz NXZADIGCVBVKQT-KPFFTGBYSA-N 1 3 371.525 2.727 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296859 975413871 /nfs/dbraw/zinc/41/38/71/975413871.db2.gz NXZADIGCVBVKQT-YVWKXTFCSA-N 1 3 371.525 2.727 20 0 FFADHO C[C@H](F)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530259 975509349 /nfs/dbraw/zinc/50/93/49/975509349.db2.gz MBUNMGRIROTQLW-ZWOKBUDYSA-N 1 3 353.526 2.685 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000662445388 975546083 /nfs/dbraw/zinc/54/60/83/975546083.db2.gz QJOQCKOSUCZWSU-OAQYLSRUSA-N 1 3 367.493 2.868 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662661759 975798564 /nfs/dbraw/zinc/79/85/64/975798564.db2.gz VMPXOZPJSNXREM-RBBKRZOGSA-N 1 3 363.505 2.996 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662661759 975798573 /nfs/dbraw/zinc/79/85/73/975798573.db2.gz VMPXOZPJSNXREM-RBBKRZOGSA-N 1 3 363.505 2.996 20 0 FFADHO c1nc(N[C@H]2CCN(C3CC3)C2)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1C1CC1 ZINC000663424493 975862297 /nfs/dbraw/zinc/86/22/97/975862297.db2.gz CPBAAWAIHYUULQ-CVEARBPZSA-N 1 3 368.529 2.651 20 0 FFADHO c1nc(N[C@H]2CCN(C3CC3)C2)nc(N[C@@H]2CC[N@H+](C3CC3)C2)c1C1CC1 ZINC000663424493 975862309 /nfs/dbraw/zinc/86/23/09/975862309.db2.gz CPBAAWAIHYUULQ-CVEARBPZSA-N 1 3 368.529 2.651 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC000893621097 976047522 /nfs/dbraw/zinc/04/75/22/976047522.db2.gz JYZSLKWOXZLRRM-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000663600830 976406021 /nfs/dbraw/zinc/40/60/21/976406021.db2.gz YMLVZVZZLZQLLH-FXAWDEMLSA-N 1 3 372.513 2.591 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000663600830 976406027 /nfs/dbraw/zinc/40/60/27/976406027.db2.gz YMLVZVZZLZQLLH-FXAWDEMLSA-N 1 3 372.513 2.591 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000663600832 976406334 /nfs/dbraw/zinc/40/63/34/976406334.db2.gz YMLVZVZZLZQLLH-XLIONFOSSA-N 1 3 372.513 2.591 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000663600832 976406338 /nfs/dbraw/zinc/40/63/38/976406338.db2.gz YMLVZVZZLZQLLH-XLIONFOSSA-N 1 3 372.513 2.591 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681382 976716781 /nfs/dbraw/zinc/71/67/81/976716781.db2.gz HQEJZEBCHHJBTE-SFTDATJTSA-N 1 3 362.514 2.787 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cnc4c(c3)CNCC4)C2)CC1 ZINC000667795931 977055096 /nfs/dbraw/zinc/05/50/96/977055096.db2.gz VOUOPHJKVJBBNE-QGZVFWFLSA-N 1 3 371.529 2.703 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCC[NH+]2CCCCCC2)c1 ZINC000126206506 977875457 /nfs/dbraw/zinc/87/54/57/977875457.db2.gz AJIMIVQFRBSYCQ-MRXNPFEDSA-N 1 3 363.502 2.887 20 0 FFADHO F[C@@H]1CC2(CC[C@H]1N1C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000894144461 977981769 /nfs/dbraw/zinc/98/17/69/977981769.db2.gz AVIYALHCYIFMKC-IYWMVGAKSA-N 1 3 360.473 2.684 20 0 FFADHO F[C@@H]1CC2(CC[C@H]1N1C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000894144461 977981776 /nfs/dbraw/zinc/98/17/76/977981776.db2.gz AVIYALHCYIFMKC-IYWMVGAKSA-N 1 3 360.473 2.684 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087459728 977982063 /nfs/dbraw/zinc/98/20/63/977982063.db2.gz TXTFFRVADARCKW-NSISKUIASA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001087459728 977982067 /nfs/dbraw/zinc/98/20/67/977982067.db2.gz TXTFFRVADARCKW-NSISKUIASA-N 1 3 361.505 2.850 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000877012390 1014448571 /nfs/dbraw/zinc/44/85/71/1014448571.db2.gz SDYDMAFVYMGFHU-KAGYGMCKSA-N 1 3 356.558 2.580 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001028552942 978043458 /nfs/dbraw/zinc/04/34/58/978043458.db2.gz WKTANOFVUIFLLH-IMFGXOCKSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001028552942 978043467 /nfs/dbraw/zinc/04/34/67/978043467.db2.gz WKTANOFVUIFLLH-IMFGXOCKSA-N 1 3 361.505 2.803 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899146 978433198 /nfs/dbraw/zinc/43/31/98/978433198.db2.gz AUBRCLDNGCUQJS-VQIMIIECSA-N 1 3 355.482 2.527 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001076175542 979184291 /nfs/dbraw/zinc/18/42/91/979184291.db2.gz JUXCRIRRFKGVBX-KLLIYHHZSA-N 1 3 367.537 2.963 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001076175542 979184295 /nfs/dbraw/zinc/18/42/95/979184295.db2.gz JUXCRIRRFKGVBX-KLLIYHHZSA-N 1 3 367.537 2.963 20 0 FFADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[C@@H](O)c1ccccc1 ZINC000905910095 980544304 /nfs/dbraw/zinc/54/43/04/980544304.db2.gz UDIMWZNVAIYNLG-DHIUTWEWSA-N 1 3 368.521 2.768 20 0 FFADHO O[C@H](C[C@H](O)CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000905910098 980544820 /nfs/dbraw/zinc/54/48/20/980544820.db2.gz UDIMWZNVAIYNLG-XZOQPEGZSA-N 1 3 368.521 2.768 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000841694646 981192148 /nfs/dbraw/zinc/19/21/48/981192148.db2.gz ICENPPPVLCZOIY-OAQYLSRUSA-N 1 3 366.509 2.824 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000666754718 981355409 /nfs/dbraw/zinc/35/54/09/981355409.db2.gz RZNYTYDOAIQDEF-VQIMIIECSA-N 1 3 364.509 2.848 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)C2)C1 ZINC000650706702 1014746078 /nfs/dbraw/zinc/74/60/78/1014746078.db2.gz QURKRGOXCVYYPD-YVWKXTFCSA-N 1 3 358.461 2.730 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001272168367 981945173 /nfs/dbraw/zinc/94/51/73/981945173.db2.gz WCEPFOCGTSVUDE-UHFFFAOYSA-N 1 3 372.435 2.999 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CCC2(CCC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001272168367 981945182 /nfs/dbraw/zinc/94/51/82/981945182.db2.gz WCEPFOCGTSVUDE-UHFFFAOYSA-N 1 3 372.435 2.999 20 0 FFADHO CN(C(=O)NC[C@H]1CCCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000897547990 982167627 /nfs/dbraw/zinc/16/76/27/982167627.db2.gz PBLWRAVSVFTJKV-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000897547990 982167633 /nfs/dbraw/zinc/16/76/33/982167633.db2.gz PBLWRAVSVFTJKV-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000897875571 982541304 /nfs/dbraw/zinc/54/13/04/982541304.db2.gz GMQVNIYYYIAXBO-TZIWHRDSSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000897875571 982541306 /nfs/dbraw/zinc/54/13/06/982541306.db2.gz GMQVNIYYYIAXBO-TZIWHRDSSA-N 1 3 359.514 2.679 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(C)cc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000878312381 1014982447 /nfs/dbraw/zinc/98/24/47/1014982447.db2.gz LNWAGJXZNZQXSA-HXUWFJFHSA-N 1 3 360.546 2.670 20 0 FFADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000912813619 984125304 /nfs/dbraw/zinc/12/53/04/984125304.db2.gz LWNXIVKSTCOOEJ-NRSPTQNISA-N 1 3 372.557 2.872 20 0 FFADHO COc1cccc(C(=O)NC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)c1 ZINC001168394712 984472563 /nfs/dbraw/zinc/47/25/63/984472563.db2.gz DMLMGBURIMZZRH-UHFFFAOYSA-N 1 3 371.525 2.764 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000669483850 984651879 /nfs/dbraw/zinc/65/18/79/984651879.db2.gz PEWXKZYZHFHVHJ-TZIWHRDSSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2 ZINC001107546671 984671638 /nfs/dbraw/zinc/67/16/38/984671638.db2.gz LFHKBQFLDWGXGQ-ZMSDIMECSA-N 1 3 361.452 2.784 20 0 FFADHO C[C@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2 ZINC001107546671 984671643 /nfs/dbraw/zinc/67/16/43/984671643.db2.gz LFHKBQFLDWGXGQ-ZMSDIMECSA-N 1 3 361.452 2.784 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2 ZINC001107582747 984733387 /nfs/dbraw/zinc/73/33/87/984733387.db2.gz SWJQPKFEDCLGOS-IFMALSPDSA-N 1 3 357.542 2.932 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccccc1)CC2 ZINC001107582747 984733390 /nfs/dbraw/zinc/73/33/90/984733390.db2.gz SWJQPKFEDCLGOS-IFMALSPDSA-N 1 3 357.542 2.932 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000669545760 984760246 /nfs/dbraw/zinc/76/02/46/984760246.db2.gz CJWQYKDYFJPHTH-TUFLPTIASA-N 1 3 370.541 2.853 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ocnc1C)CC2 ZINC001107615774 984830391 /nfs/dbraw/zinc/83/03/91/984830391.db2.gz KZZRMUAPHRVHJE-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ocnc1C)CC2 ZINC001107615774 984830410 /nfs/dbraw/zinc/83/04/10/984830410.db2.gz KZZRMUAPHRVHJE-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669586939 984871145 /nfs/dbraw/zinc/87/11/45/984871145.db2.gz ALGZVVUVIKSDTK-PMACEKPBSA-N 1 3 360.546 2.929 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](OC(C)C)C3)CC2)CC1 ZINC000655163162 986342506 /nfs/dbraw/zinc/34/25/06/986342506.db2.gz GGTCSCSBLIJOPG-HXUWFJFHSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000765883447 986806992 /nfs/dbraw/zinc/80/69/92/986806992.db2.gz FXSVCCAAGLCZNK-LJQANCHMSA-N 1 3 359.514 2.605 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715061223 986930689 /nfs/dbraw/zinc/93/06/89/986930689.db2.gz KZKCOFBBHFEAJS-QRVBRYPASA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715061223 986930704 /nfs/dbraw/zinc/93/07/04/986930704.db2.gz KZKCOFBBHFEAJS-QRVBRYPASA-N 1 3 361.555 2.580 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@H]3CCCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001483734963 987025250 /nfs/dbraw/zinc/02/52/50/987025250.db2.gz KOQVENJEKIBEET-BJZITVGISA-N 1 3 359.489 2.782 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@H]3CCCc4ccc(F)cc43)CC2)CC[N@H+]1C ZINC001483734963 987025261 /nfs/dbraw/zinc/02/52/61/987025261.db2.gz KOQVENJEKIBEET-BJZITVGISA-N 1 3 359.489 2.782 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000913948750 987061771 /nfs/dbraw/zinc/06/17/71/987061771.db2.gz RRKHEDPYOPGDMG-OBXNSHGQSA-N 1 3 358.530 2.996 20 0 FFADHO COc1cccc([C@H](C)N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001000701173 987086470 /nfs/dbraw/zinc/08/64/70/987086470.db2.gz FJGFBOCQVANVGY-CSODHUTKSA-N 1 3 371.525 2.845 20 0 FFADHO COc1cccc([C@H](C)N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001000701173 987086482 /nfs/dbraw/zinc/08/64/82/987086482.db2.gz FJGFBOCQVANVGY-CSODHUTKSA-N 1 3 371.525 2.845 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)N1 ZINC000646737039 987182192 /nfs/dbraw/zinc/18/21/92/987182192.db2.gz OXONLYSKXJMBPY-KURKYZTESA-N 1 3 359.514 2.762 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)N1 ZINC000646737039 987182195 /nfs/dbraw/zinc/18/21/95/987182195.db2.gz OXONLYSKXJMBPY-KURKYZTESA-N 1 3 359.514 2.762 20 0 FFADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000765973817 988046409 /nfs/dbraw/zinc/04/64/09/988046409.db2.gz FUCFJXYWUGESTF-OXJNMPFZSA-N 1 3 373.497 2.937 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C3)c1 ZINC001095919993 1015366706 /nfs/dbraw/zinc/36/67/06/1015366706.db2.gz AZXMHMKQHUKNHK-RQUKQETFSA-N 1 3 355.526 2.947 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C3)c1 ZINC001095919993 1015366708 /nfs/dbraw/zinc/36/67/08/1015366708.db2.gz AZXMHMKQHUKNHK-RQUKQETFSA-N 1 3 355.526 2.947 20 0 FFADHO OC1(C[NH2+]Cc2cc3cnccc3o2)CCN(Cc2ccccc2)CC1 ZINC000651831961 1015375926 /nfs/dbraw/zinc/37/59/26/1015375926.db2.gz RBEFLGFNGUYCPY-UHFFFAOYSA-N 1 3 351.450 2.945 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000922386475 988541769 /nfs/dbraw/zinc/54/17/69/988541769.db2.gz HPILOBWOEPOWEL-CGXNFDGLSA-N 1 3 372.488 2.581 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000922386475 988541778 /nfs/dbraw/zinc/54/17/78/988541778.db2.gz HPILOBWOEPOWEL-CGXNFDGLSA-N 1 3 372.488 2.581 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001106673307 988624190 /nfs/dbraw/zinc/62/41/90/988624190.db2.gz VCQYNQHJKYFSRC-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CNCc2cc(N(C)C)ccn2)CC1 ZINC000922479222 988629743 /nfs/dbraw/zinc/62/97/43/988629743.db2.gz SGBNVYQHMIEEBP-UHFFFAOYSA-N 1 3 367.541 2.969 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC001106729218 988799717 /nfs/dbraw/zinc/79/97/17/988799717.db2.gz NABZVWBDESOJCX-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248225 1015437340 /nfs/dbraw/zinc/43/73/40/1015437340.db2.gz JXSVLVCMXHIDCK-SFHVURJKSA-N 1 3 355.526 2.768 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCOC2)[C@H](C)C1 ZINC001106775487 989019776 /nfs/dbraw/zinc/01/97/76/989019776.db2.gz KGBFUPIPWLCWII-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1 ZINC001106783465 989043604 /nfs/dbraw/zinc/04/36/04/989043604.db2.gz QPQNTUHEZHSDSB-SJLPKXTDSA-N 1 3 351.560 2.707 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673770671 989252967 /nfs/dbraw/zinc/25/29/67/989252967.db2.gz PBUNYNRTNRUOKL-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000673770671 989252977 /nfs/dbraw/zinc/25/29/77/989252977.db2.gz PBUNYNRTNRUOKL-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H](C1)O2 ZINC001273122396 989468253 /nfs/dbraw/zinc/46/82/53/989468253.db2.gz ZYDXOFXLOFQDJW-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000652149872 1015479575 /nfs/dbraw/zinc/47/95/75/1015479575.db2.gz DKFRNHSNZHNCOB-QGZVFWFLSA-N 1 3 354.498 2.726 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001085196729 989911695 /nfs/dbraw/zinc/91/16/95/989911695.db2.gz LGNQDGAOBNFLKM-GUDVDZBRSA-N 1 3 362.493 2.611 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000675742356 990368090 /nfs/dbraw/zinc/36/80/90/990368090.db2.gz NKEPYHZRJRBREU-PZJWPPBQSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C1(c2ccccc2)CCCC1 ZINC000675747589 990368834 /nfs/dbraw/zinc/36/88/34/990368834.db2.gz RMVPSYJGDCROIH-OAQYLSRUSA-N 1 3 373.585 2.867 20 0 FFADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000675821652 990389888 /nfs/dbraw/zinc/38/98/88/990389888.db2.gz KNEBDIVIBKKFQQ-MJGOQNOKSA-N 1 3 359.514 2.694 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001085196779 990395523 /nfs/dbraw/zinc/39/55/23/990395523.db2.gz NOBQHVWEMQFRHO-KZNAEPCWSA-N 1 3 362.518 2.681 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001085196779 990395529 /nfs/dbraw/zinc/39/55/29/990395529.db2.gz NOBQHVWEMQFRHO-KZNAEPCWSA-N 1 3 362.518 2.681 20 0 FFADHO CN1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000676133079 990479285 /nfs/dbraw/zinc/47/92/85/990479285.db2.gz YSCBDKQZBHPDAU-SFHVURJKSA-N 1 3 360.502 2.767 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCOC2CCOCC2)CC1 ZINC000922930913 990744506 /nfs/dbraw/zinc/74/45/06/990744506.db2.gz XDFRWIHKHJKNPY-UHFFFAOYSA-N 1 3 361.530 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCCc3ccccc3C)C2)CC[N@@H+]1C ZINC001031684387 990967996 /nfs/dbraw/zinc/96/79/96/990967996.db2.gz NAVOZCNCNOGWTR-LEWJYISDSA-N 1 3 357.542 2.706 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCCc3ccccc3C)C2)CC[N@H+]1C ZINC001031684387 990968004 /nfs/dbraw/zinc/96/80/04/990968004.db2.gz NAVOZCNCNOGWTR-LEWJYISDSA-N 1 3 357.542 2.706 20 0 FFADHO COc1cccc(OCCN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000923372202 991098744 /nfs/dbraw/zinc/09/87/44/991098744.db2.gz YKACHGHXEKNGEN-IHWFROFDSA-N 1 3 373.541 2.612 20 0 FFADHO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923446821 991146150 /nfs/dbraw/zinc/14/61/50/991146150.db2.gz OCZVIEZSNKXEJD-OALUTQOASA-N 1 3 359.514 2.566 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000923501530 991195857 /nfs/dbraw/zinc/19/58/57/991195857.db2.gz UZQPBLPGCHKOFC-YDHLFZDLSA-N 1 3 373.419 2.679 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC001106910855 991532996 /nfs/dbraw/zinc/53/29/96/991532996.db2.gz RZACIMWIAZRYAT-KFWWJZLASA-N 1 3 364.361 2.596 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079153390 991818590 /nfs/dbraw/zinc/81/85/90/991818590.db2.gz DQRRYDRMSARZDJ-XUVXKRRUSA-N 1 3 361.505 2.848 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707399 992347684 /nfs/dbraw/zinc/34/76/84/992347684.db2.gz CZNXZAJSLMBJAR-URZJWIJPSA-N 1 3 367.537 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc4cc[nH]c4c3)C[C@H]2C)CC[N@@H+]1C ZINC001079732617 992370790 /nfs/dbraw/zinc/37/07/90/992370790.db2.gz PUNZYZJCZHFJKR-NSGGIEJNSA-N 1 3 368.525 2.835 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc4cc[nH]c4c3)C[C@H]2C)CC[N@H+]1C ZINC001079732617 992370794 /nfs/dbraw/zinc/37/07/94/992370794.db2.gz PUNZYZJCZHFJKR-NSGGIEJNSA-N 1 3 368.525 2.835 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOc3ccccc3C)C[C@H]2C)CC[N@@H+]1C ZINC001079732207 992371417 /nfs/dbraw/zinc/37/14/17/992371417.db2.gz DOAVHZRQKOOITN-IYWMVGAKSA-N 1 3 373.541 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOc3ccccc3C)C[C@H]2C)CC[N@H+]1C ZINC001079732207 992371427 /nfs/dbraw/zinc/37/14/27/992371427.db2.gz DOAVHZRQKOOITN-IYWMVGAKSA-N 1 3 373.541 2.541 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H](CNCc2ccc(F)cc2F)C2CC2)CC[N@@H+]1C ZINC001485812467 992567101 /nfs/dbraw/zinc/56/71/01/992567101.db2.gz ZJLUBYRZUYGWPK-OMWUSAIZSA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H](CNCc2ccc(F)cc2F)C2CC2)CC[N@H+]1C ZINC001485812467 992567113 /nfs/dbraw/zinc/56/71/13/992567113.db2.gz ZJLUBYRZUYGWPK-OMWUSAIZSA-N 1 3 365.468 2.632 20 0 FFADHO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000671120127 992650023 /nfs/dbraw/zinc/65/00/23/992650023.db2.gz OLXBJSFWFAIMSB-XRXFAXGQSA-N 1 3 353.514 2.947 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)cc1 ZINC001080192421 992810689 /nfs/dbraw/zinc/81/06/89/992810689.db2.gz KKQZWJLFPBBRHP-DUXKGJEZSA-N 1 3 355.526 2.806 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080255235 992894073 /nfs/dbraw/zinc/89/40/73/992894073.db2.gz RCWPWHNRVSLWNL-OXQOHEQNSA-N 1 3 368.525 2.979 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080255235 992894075 /nfs/dbraw/zinc/89/40/75/992894075.db2.gz RCWPWHNRVSLWNL-OXQOHEQNSA-N 1 3 368.525 2.979 20 0 FFADHO Cc1cccc(CCC[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001107041034 993294418 /nfs/dbraw/zinc/29/44/18/993294418.db2.gz XVJIVSGZZIZUIH-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935360 993488689 /nfs/dbraw/zinc/48/86/89/993488689.db2.gz RIDRGZZOPHYOLV-UWWQBHOKSA-N 1 3 357.523 2.790 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935360 993488698 /nfs/dbraw/zinc/48/86/98/993488698.db2.gz RIDRGZZOPHYOLV-UWWQBHOKSA-N 1 3 357.523 2.790 20 0 FFADHO CO[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCN1CC(C)C ZINC001081885032 994005442 /nfs/dbraw/zinc/00/54/42/994005442.db2.gz XGDZSWHANOISBQ-HSALFYBXSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCN1CC(C)C ZINC001081885032 994005450 /nfs/dbraw/zinc/00/54/50/994005450.db2.gz XGDZSWHANOISBQ-HSALFYBXSA-N 1 3 365.562 2.503 20 0 FFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000808781757 994259280 /nfs/dbraw/zinc/25/92/80/994259280.db2.gz OMUWUHYJGIZJEG-UHFFFAOYSA-N 1 3 371.525 2.597 20 0 FFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000808781757 994259287 /nfs/dbraw/zinc/25/92/87/994259287.db2.gz OMUWUHYJGIZJEG-UHFFFAOYSA-N 1 3 371.525 2.597 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810612576 994851898 /nfs/dbraw/zinc/85/18/98/994851898.db2.gz GFBCXIQEIADWCJ-HXUWFJFHSA-N 1 3 367.484 2.928 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC001082561598 994941239 /nfs/dbraw/zinc/94/12/39/994941239.db2.gz DLGSEYHLJCEFRX-IIBYNOLFSA-N 1 3 355.526 2.985 20 0 FFADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000903457929 1015904631 /nfs/dbraw/zinc/90/46/31/1015904631.db2.gz JOMJMEKAMNVSFO-LJQANCHMSA-N 1 3 372.513 2.885 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccc(F)cc1F ZINC001082570516 994967421 /nfs/dbraw/zinc/96/74/21/994967421.db2.gz OTJUMJPBFMFWRY-LSBZLQRGSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCc1ccc(F)cc1F ZINC001082570516 994967433 /nfs/dbraw/zinc/96/74/33/994967433.db2.gz OTJUMJPBFMFWRY-LSBZLQRGSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001082570368 994968127 /nfs/dbraw/zinc/96/81/27/994968127.db2.gz IUHOTZVBJMTNDX-SIXWZSSISA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001082570368 994968136 /nfs/dbraw/zinc/96/81/36/994968136.db2.gz IUHOTZVBJMTNDX-SIXWZSSISA-N 1 3 365.468 2.776 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001082575171 994996230 /nfs/dbraw/zinc/99/62/30/994996230.db2.gz OTYMRSALQSSIKH-OIISXLGYSA-N 1 3 359.505 2.835 20 0 FFADHO [NH3+]CCN(c1ccc2c(c1)COC21CNC1)C12CC3CC(CC(C3)C1)C2 ZINC001170630987 995088800 /nfs/dbraw/zinc/08/88/00/995088800.db2.gz SXZHRFAGJNGWRB-UHFFFAOYSA-N 1 3 353.510 2.749 20 0 FFADHO Cc1csc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001086695429 995154572 /nfs/dbraw/zinc/15/45/72/995154572.db2.gz QKHISHABEBUPGV-GVDBMIGSSA-N 1 3 364.559 2.699 20 0 FFADHO Cc1csc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001086695429 995154576 /nfs/dbraw/zinc/15/45/76/995154576.db2.gz QKHISHABEBUPGV-GVDBMIGSSA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1)N(C)C ZINC001082747138 995301365 /nfs/dbraw/zinc/30/13/65/995301365.db2.gz AEWRGQCGKQITLF-JLZZUVOBSA-N 1 3 355.885 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC001082740667 995396038 /nfs/dbraw/zinc/39/60/38/995396038.db2.gz BRDRCDLAWCPXSH-VNHYZAJKSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3ccc(Cl)cc3F)C2)C1 ZINC001082741895 995398931 /nfs/dbraw/zinc/39/89/31/995398931.db2.gz IJQFOLVPPHMKJY-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3ccc(Cl)cc3F)C2)C1 ZINC001082741895 995398938 /nfs/dbraw/zinc/39/89/38/995398938.db2.gz IJQFOLVPPHMKJY-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001082743126 995401732 /nfs/dbraw/zinc/40/17/32/995401732.db2.gz JIZHPOVRKKTPBZ-DYESRHJHSA-N 1 3 369.553 2.844 20 0 FFADHO Fc1cc2cccnc2c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903508278 1015943429 /nfs/dbraw/zinc/94/34/29/1015943429.db2.gz ASSRMDKWVNDNNG-BGYRXZFFSA-N 1 3 354.473 2.775 20 0 FFADHO Fc1cc2cccnc2c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903508278 1015943436 /nfs/dbraw/zinc/94/34/36/1015943436.db2.gz ASSRMDKWVNDNNG-BGYRXZFFSA-N 1 3 354.473 2.775 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082782992 995489437 /nfs/dbraw/zinc/48/94/37/995489437.db2.gz VNDVZUVYHDAUMO-RLLQIKCJSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082782992 995489443 /nfs/dbraw/zinc/48/94/43/995489443.db2.gz VNDVZUVYHDAUMO-RLLQIKCJSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)c1 ZINC001082783558 995491457 /nfs/dbraw/zinc/49/14/57/995491457.db2.gz AQRIOBWZOVIWCP-OXQOHEQNSA-N 1 3 361.505 2.803 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001082783243 995491738 /nfs/dbraw/zinc/49/17/38/995491738.db2.gz KHEIFTZXZFYYLC-DJIMGWMZSA-N 1 3 357.489 2.731 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1ccc(F)cc1F ZINC001082941648 995876576 /nfs/dbraw/zinc/87/65/76/995876576.db2.gz DPHDAUYDRQRIOB-DNVCBOLYSA-N 1 3 365.468 2.777 20 0 FFADHO CCC[NH+]1CCC(N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000167523670 996140590 /nfs/dbraw/zinc/14/05/90/996140590.db2.gz IVRVYUOCTRNZOK-LJQANCHMSA-N 1 3 361.530 2.742 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2cccc(F)c2)CC[N@@H+]1C ZINC001049482307 1016009020 /nfs/dbraw/zinc/00/90/20/1016009020.db2.gz MEWIBEFCYATZPC-XCLNPWKQSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2cccc(F)c2)CC[N@H+]1C ZINC001049482307 1016009026 /nfs/dbraw/zinc/00/90/26/1016009026.db2.gz MEWIBEFCYATZPC-XCLNPWKQSA-N 1 3 359.489 2.731 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084349334 996476514 /nfs/dbraw/zinc/47/65/14/996476514.db2.gz HQRVLFZCBZLOSJ-YPAWHYETSA-N 1 3 367.537 2.624 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(C)c4)C[C@H]32)CC[N@@H+]1C ZINC001084357018 996484619 /nfs/dbraw/zinc/48/46/19/996484619.db2.gz CKTGLXNZBIUXLA-PLACYPQZSA-N 1 3 355.526 2.758 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(C)c4)C[C@H]32)CC[N@H+]1C ZINC001084357018 996484622 /nfs/dbraw/zinc/48/46/22/996484622.db2.gz CKTGLXNZBIUXLA-PLACYPQZSA-N 1 3 355.526 2.758 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084388833 996530521 /nfs/dbraw/zinc/53/05/21/996530521.db2.gz HLZLKVZVNKWXED-VAMGGRTRSA-N 1 3 359.558 2.974 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084388833 996530522 /nfs/dbraw/zinc/53/05/22/996530522.db2.gz HLZLKVZVNKWXED-VAMGGRTRSA-N 1 3 359.558 2.974 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1C ZINC001084775614 997285855 /nfs/dbraw/zinc/28/58/55/997285855.db2.gz ODHMIVKDYOXFLA-PWRODBHTSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1C ZINC001084775614 997285868 /nfs/dbraw/zinc/28/58/68/997285868.db2.gz ODHMIVKDYOXFLA-PWRODBHTSA-N 1 3 355.526 2.678 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000844165156 997690213 /nfs/dbraw/zinc/69/02/13/997690213.db2.gz RCKSHDJPCUAGCE-HXUWFJFHSA-N 1 3 369.484 2.855 20 0 FFADHO Cc1ccc(C(=O)C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c(C)c1 ZINC000903722274 1016154903 /nfs/dbraw/zinc/15/49/03/1016154903.db2.gz JYWPZKQTXDNQMP-UGKGYDQZSA-N 1 3 356.510 2.967 20 0 FFADHO Fc1ccc(OC2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c(F)c1 ZINC000903723915 1016155983 /nfs/dbraw/zinc/15/59/83/1016155983.db2.gz ZDEZJJHWERYXSJ-QGZVFWFLSA-N 1 3 366.452 2.967 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cncc(C)c4)[C@H]3C2)CC[N@@H+]1C ZINC001084944976 998247026 /nfs/dbraw/zinc/24/70/26/998247026.db2.gz ZVZZEOFXSVZIRY-MHTWAQMVSA-N 1 3 370.541 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cncc(C)c4)[C@H]3C2)CC[N@H+]1C ZINC001084944976 998247034 /nfs/dbraw/zinc/24/70/34/998247034.db2.gz ZVZZEOFXSVZIRY-MHTWAQMVSA-N 1 3 370.541 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCC(F)(F)F)[C@H]3C2)CC[N@@H+]1C ZINC001084944664 998247076 /nfs/dbraw/zinc/24/70/76/998247076.db2.gz DSBOBCCKCOKWRC-QXSJWSMHSA-N 1 3 361.452 2.592 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(CCC(F)(F)F)[C@H]3C2)CC[N@H+]1C ZINC001084944664 998247083 /nfs/dbraw/zinc/24/70/83/998247083.db2.gz DSBOBCCKCOKWRC-QXSJWSMHSA-N 1 3 361.452 2.592 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1 ZINC001084998073 998603559 /nfs/dbraw/zinc/60/35/59/998603559.db2.gz REPNALXCVKEJRO-GIVPXCGWSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001084998073 998603565 /nfs/dbraw/zinc/60/35/65/998603565.db2.gz REPNALXCVKEJRO-GIVPXCGWSA-N 1 3 359.558 2.974 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)cc2)CC1 ZINC000732417680 998653146 /nfs/dbraw/zinc/65/31/46/998653146.db2.gz OIHCZGRYTMBCSG-LJQANCHMSA-N 1 3 373.545 2.823 20 0 FFADHO c1nc2n(c1C[NH+]1CCCCC1)CCN(Cc1ncn3ccccc13)CC2 ZINC001144619101 998686363 /nfs/dbraw/zinc/68/63/63/998686363.db2.gz QFGPUYZUJNZXFV-UHFFFAOYSA-N 1 3 364.497 2.575 20 0 FFADHO Cc1ccncc1CN1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000161192 1016254447 /nfs/dbraw/zinc/25/44/47/1016254447.db2.gz JQGXHGCKLSIZIT-YLJYHZDGSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1ccncc1CN1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000161192 1016254455 /nfs/dbraw/zinc/25/44/55/1016254455.db2.gz JQGXHGCKLSIZIT-YLJYHZDGSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1c(C[C@H](CN)C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cnn1C ZINC000903915122 1016304806 /nfs/dbraw/zinc/30/48/06/1016304806.db2.gz NFCJZEPOHKPFAE-TYCQWZJGSA-N 1 3 374.504 2.837 20 0 FFADHO Cc1c(C[C@H](CN)C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cnn1C ZINC000903915122 1016304811 /nfs/dbraw/zinc/30/48/11/1016304811.db2.gz NFCJZEPOHKPFAE-TYCQWZJGSA-N 1 3 374.504 2.837 20 0 FFADHO Clc1ccccc1N1CCC[C@H](NCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903926467 1016308931 /nfs/dbraw/zinc/30/89/31/1016308931.db2.gz SJBYJKWMNZISRL-JKSUJKDBSA-N 1 3 374.920 2.615 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2Cl)C1 ZINC001085422524 999497221 /nfs/dbraw/zinc/49/72/21/999497221.db2.gz WHECPIVZYJYGID-FSPWUOQZSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2Cl)C1 ZINC001085422524 999497224 /nfs/dbraw/zinc/49/72/24/999497224.db2.gz WHECPIVZYJYGID-FSPWUOQZSA-N 1 3 367.896 2.948 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCCOC2)c1 ZINC001096605074 1016343669 /nfs/dbraw/zinc/34/36/69/1016343669.db2.gz ZCPLVEJLARYWSC-PBASOCQRSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCCOC2)c1 ZINC001096605074 1016343679 /nfs/dbraw/zinc/34/36/79/1016343679.db2.gz ZCPLVEJLARYWSC-PBASOCQRSA-N 1 3 371.525 2.510 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=S)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000737458339 999750970 /nfs/dbraw/zinc/75/09/70/999750970.db2.gz QLZSGSQXIVXZGJ-FXAWDEMLSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=S)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000737458339 999750971 /nfs/dbraw/zinc/75/09/71/999750971.db2.gz QLZSGSQXIVXZGJ-FXAWDEMLSA-N 1 3 374.598 2.940 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980227 1016356342 /nfs/dbraw/zinc/35/63/42/1016356342.db2.gz KUUYBKKPDJQSPE-KDURUIRLSA-N 1 3 359.562 2.656 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980227 1016356353 /nfs/dbraw/zinc/35/63/53/1016356353.db2.gz KUUYBKKPDJQSPE-KDURUIRLSA-N 1 3 359.562 2.656 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980227 1016356365 /nfs/dbraw/zinc/35/63/65/1016356365.db2.gz KUUYBKKPDJQSPE-KDURUIRLSA-N 1 3 359.562 2.656 20 0 FFADHO COc1cc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(Br)c1O ZINC001205995558 1000007644 /nfs/dbraw/zinc/00/76/44/1000007644.db2.gz PBXDUMYWYWNIGF-WCQYABFASA-N 1 3 357.292 2.970 20 0 FFADHO COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(Br)c1[O-] ZINC001205995558 1000007646 /nfs/dbraw/zinc/00/76/46/1000007646.db2.gz PBXDUMYWYWNIGF-WCQYABFASA-N 1 3 357.292 2.970 20 0 FFADHO COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(Br)c1[O-] ZINC001205995558 1000007648 /nfs/dbraw/zinc/00/76/48/1000007648.db2.gz PBXDUMYWYWNIGF-WCQYABFASA-N 1 3 357.292 2.970 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)NC(=O)C[C@H]3c1ccccc1)C2 ZINC001169135064 1000024178 /nfs/dbraw/zinc/02/41/78/1000024178.db2.gz XSWMWIVFAIXNAJ-NMLBUPMWSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)NC(=O)C[C@H]3c1ccccc1)C2 ZINC001169135064 1000024179 /nfs/dbraw/zinc/02/41/79/1000024179.db2.gz XSWMWIVFAIXNAJ-NMLBUPMWSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)C2 ZINC001169138961 1000024977 /nfs/dbraw/zinc/02/49/77/1000024977.db2.gz KQARICWMMPZEKS-WVXKDWSHSA-N 1 3 359.489 2.588 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)C2 ZINC001169138961 1000024978 /nfs/dbraw/zinc/02/49/78/1000024978.db2.gz KQARICWMMPZEKS-WVXKDWSHSA-N 1 3 359.489 2.588 20 0 FFADHO COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)ccc1OC1CCOCC1 ZINC001169109372 1000025832 /nfs/dbraw/zinc/02/58/32/1000025832.db2.gz BJUACDWKJFFNQQ-NNZMDNLPSA-N 1 3 360.498 2.968 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCN(c3nccc(C(F)(F)F)n3)CC1)C2 ZINC001169142435 1000027260 /nfs/dbraw/zinc/02/72/60/1000027260.db2.gz UQCHGISZFQWDKM-QDMKHBRRSA-N 1 3 369.435 2.633 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCN(c3nccc(C(F)(F)F)n3)CC1)C2 ZINC001169142435 1000027262 /nfs/dbraw/zinc/02/72/62/1000027262.db2.gz UQCHGISZFQWDKM-QDMKHBRRSA-N 1 3 369.435 2.633 20 0 FFADHO NCc1ccc2c(n1)N(c1ccc([C@@]34CC[NH2+][C@@H]3COCC4)cc1)CCC2 ZINC001169591878 1000060069 /nfs/dbraw/zinc/06/00/69/1000060069.db2.gz BBZYGFPPDWPCCA-IRLDBZIGSA-N 1 3 364.493 2.645 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001109464230 1000510662 /nfs/dbraw/zinc/51/06/62/1000510662.db2.gz RJKGEWCJWFJRAM-WCVJEAGWSA-N 1 3 357.489 2.874 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001109464230 1000510665 /nfs/dbraw/zinc/51/06/65/1000510665.db2.gz RJKGEWCJWFJRAM-WCVJEAGWSA-N 1 3 357.489 2.874 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCCc3scnc3C)CC2)CC1 ZINC001171280009 1000710001 /nfs/dbraw/zinc/71/00/01/1000710001.db2.gz YGXDNXRRLHGHSG-UHFFFAOYSA-N 1 3 350.576 2.876 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCCc3scnc3C)CC2)CC1 ZINC001171280009 1000710004 /nfs/dbraw/zinc/71/00/04/1000710004.db2.gz YGXDNXRRLHGHSG-UHFFFAOYSA-N 1 3 350.576 2.876 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(Cc3cccc(C)c3)CC2)CC[N@@H+]1C ZINC001000696718 1016437277 /nfs/dbraw/zinc/43/72/77/1016437277.db2.gz SKVMUBLRIKYYDX-LEWJYISDSA-N 1 3 355.526 2.974 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(Cc3cccc(C)c3)CC2)CC[N@H+]1C ZINC001000696718 1016437286 /nfs/dbraw/zinc/43/72/86/1016437286.db2.gz SKVMUBLRIKYYDX-LEWJYISDSA-N 1 3 355.526 2.974 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCCCCC1 ZINC001109653702 1000788191 /nfs/dbraw/zinc/78/81/91/1000788191.db2.gz CNVMZAFPXKIBOJ-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO COc1ccccc1CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653978 1000788824 /nfs/dbraw/zinc/78/88/24/1000788824.db2.gz PUFWHFGDOYSSER-AABGKKOBSA-N 1 3 373.541 2.691 20 0 FFADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCCc2ccc(F)cc21 ZINC001109674015 1000831516 /nfs/dbraw/zinc/83/15/16/1000831516.db2.gz XHJSVVFYWWPUGD-MDNKFWRPSA-N 1 3 359.489 2.876 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C)[NH+](CC)CC ZINC001109714306 1000897240 /nfs/dbraw/zinc/89/72/40/1000897240.db2.gz GKULFXBUQPYDOA-XWSJACJDSA-N 1 3 353.551 2.643 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)cc1 ZINC001091735556 1001172435 /nfs/dbraw/zinc/17/24/35/1001172435.db2.gz VBGUTBSDNGSXNV-CTNGQTDRSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)cc1 ZINC001091735556 1001172438 /nfs/dbraw/zinc/17/24/38/1001172438.db2.gz VBGUTBSDNGSXNV-CTNGQTDRSA-N 1 3 355.526 2.760 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1)C1CCC1 ZINC001091741012 1001187712 /nfs/dbraw/zinc/18/77/12/1001187712.db2.gz WCEYMBDZTURIIN-MDZRGWNJSA-N 1 3 369.500 2.686 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1)C1CCC1 ZINC001091741012 1001187716 /nfs/dbraw/zinc/18/77/16/1001187716.db2.gz WCEYMBDZTURIIN-MDZRGWNJSA-N 1 3 369.500 2.686 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001109968610 1001210350 /nfs/dbraw/zinc/21/03/50/1001210350.db2.gz GISPVFIZPVVAAB-YRXWBPOGSA-N 1 3 353.551 2.645 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001109968384 1001210717 /nfs/dbraw/zinc/21/07/17/1001210717.db2.gz CJKKUOYSASFZIT-RDGPPVDQSA-N 1 3 353.551 2.645 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC001086882888 1001300577 /nfs/dbraw/zinc/30/05/77/1001300577.db2.gz RUPGHZFDBYPNNR-GVDBMIGSSA-N 1 3 364.559 2.700 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001112548881 1001458222 /nfs/dbraw/zinc/45/82/22/1001458222.db2.gz XSMLQYDIHQCFKZ-ZVDOUQERSA-N 1 3 365.562 2.506 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1 ZINC001112585630 1001536088 /nfs/dbraw/zinc/53/60/88/1001536088.db2.gz JGKXZQFMANHIND-KETCCXPOSA-N 1 3 353.938 2.832 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087054013 1001737310 /nfs/dbraw/zinc/73/73/10/1001737310.db2.gz QHAVBORUOSBSFY-HSALFYBXSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)N(C)C ZINC001091986063 1002180555 /nfs/dbraw/zinc/18/05/55/1002180555.db2.gz TUAIJASJTOYSTO-SBHAEUEKSA-N 1 3 361.574 2.933 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)N(C)C ZINC001091986063 1002180561 /nfs/dbraw/zinc/18/05/61/1002180561.db2.gz TUAIJASJTOYSTO-SBHAEUEKSA-N 1 3 361.574 2.933 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCCc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092013605 1002287778 /nfs/dbraw/zinc/28/77/78/1002287778.db2.gz VCJDPJZSMIUUAT-LSWJPFSZSA-N 1 3 369.553 2.741 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCCc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092013605 1002287789 /nfs/dbraw/zinc/28/77/89/1002287789.db2.gz VCJDPJZSMIUUAT-LSWJPFSZSA-N 1 3 369.553 2.741 20 0 FFADHO CCCC[C@H](CNCc1ccc(Cl)nc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001276256463 1016633888 /nfs/dbraw/zinc/63/38/88/1016633888.db2.gz XIBFFYZUZRCELU-DJIMGWMZSA-N 1 3 366.937 2.840 20 0 FFADHO CCCC[C@H](CNCc1ccc(Cl)nc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001276256463 1016633893 /nfs/dbraw/zinc/63/38/93/1016633893.db2.gz XIBFFYZUZRCELU-DJIMGWMZSA-N 1 3 366.937 2.840 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4ccccc4Cl)C[C@@]3(C)C2)C1 ZINC001092273749 1002577879 /nfs/dbraw/zinc/57/78/79/1002577879.db2.gz QMWZCLYCDHTSCR-QKLQHJQFSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4ccccc4Cl)C[C@@]3(C)C2)C1 ZINC001092273749 1002577884 /nfs/dbraw/zinc/57/78/84/1002577884.db2.gz QMWZCLYCDHTSCR-QKLQHJQFSA-N 1 3 361.917 2.572 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC001092299554 1002626405 /nfs/dbraw/zinc/62/64/05/1002626405.db2.gz BCEJJPOKODEUJJ-ARGQNCHBSA-N 1 3 361.917 2.895 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001092301507 1002630792 /nfs/dbraw/zinc/63/07/92/1002630792.db2.gz LFVYOVLQQODPAD-AOIWGVFYSA-N 1 3 369.500 2.686 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001092301507 1002630800 /nfs/dbraw/zinc/63/08/00/1002630800.db2.gz LFVYOVLQQODPAD-AOIWGVFYSA-N 1 3 369.500 2.686 20 0 FFADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1c1ccccc1)C12CCCN1CCC2 ZINC001086597358 1002662452 /nfs/dbraw/zinc/66/24/52/1002662452.db2.gz AHVXEVYNHPUSBT-LEWJYISDSA-N 1 3 367.537 2.999 20 0 FFADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1)C12CCCN1CCC2 ZINC001086597358 1002662460 /nfs/dbraw/zinc/66/24/60/1002662460.db2.gz AHVXEVYNHPUSBT-LEWJYISDSA-N 1 3 367.537 2.999 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001186188920 1003212000 /nfs/dbraw/zinc/21/20/00/1003212000.db2.gz FXGYAXBCTORBJK-YLJYHZDGSA-N 1 3 361.505 2.852 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001186188920 1003212006 /nfs/dbraw/zinc/21/20/06/1003212006.db2.gz FXGYAXBCTORBJK-YLJYHZDGSA-N 1 3 361.505 2.852 20 0 FFADHO Cc1csc(C[N@@H+]2C[C@@H](CNC(=O)c3ccn4cncc4c3)[C@H](C)C2)n1 ZINC001092782009 1003575259 /nfs/dbraw/zinc/57/52/59/1003575259.db2.gz ASTRWIZSFAQTCB-CZUORRHYSA-N 1 3 369.494 2.597 20 0 FFADHO Cc1csc(C[N@H+]2C[C@@H](CNC(=O)c3ccn4cncc4c3)[C@H](C)C2)n1 ZINC001092782009 1003575265 /nfs/dbraw/zinc/57/52/65/1003575265.db2.gz ASTRWIZSFAQTCB-CZUORRHYSA-N 1 3 369.494 2.597 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCN(CCc3ccccc3)CC2)cc1 ZINC000678127679 1016806150 /nfs/dbraw/zinc/80/61/50/1016806150.db2.gz ARLSUOJFUJJOEL-UHFFFAOYSA-N 1 3 367.537 2.987 20 0 FFADHO CC(C)CN(C(=O)c1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001197629169 1004311124 /nfs/dbraw/zinc/31/11/24/1004311124.db2.gz XDRVLMGFEOWKEV-NJDAHSKKSA-N 1 3 373.541 2.621 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(Cc4cccnc4C)C[C@H]32)CC[N@@H+]1C ZINC001050051200 1016874392 /nfs/dbraw/zinc/87/43/92/1016874392.db2.gz QBGXJDUZLSTGKA-UWHLTILDSA-N 1 3 370.541 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(Cc4cccnc4C)C[C@H]32)CC[N@H+]1C ZINC001050051200 1016874406 /nfs/dbraw/zinc/87/44/06/1016874406.db2.gz QBGXJDUZLSTGKA-UWHLTILDSA-N 1 3 370.541 2.543 20 0 FFADHO Nc1c(Cl)ncnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170522990 1004574857 /nfs/dbraw/zinc/57/48/57/1004574857.db2.gz WBDXIZHBNNLHCS-UHFFFAOYSA-N 1 3 370.888 2.622 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C ZINC001198843682 1004762448 /nfs/dbraw/zinc/76/24/48/1004762448.db2.gz ABVFQGDSQCGFPP-ROUUACIJSA-N 1 3 371.566 2.799 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C ZINC001198843682 1004762452 /nfs/dbraw/zinc/76/24/52/1004762452.db2.gz ABVFQGDSQCGFPP-ROUUACIJSA-N 1 3 371.566 2.799 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103125579 1004781650 /nfs/dbraw/zinc/78/16/50/1004781650.db2.gz RWIDMXCFCVEZKP-HXUWFJFHSA-N 1 3 361.530 2.898 20 0 FFADHO COCC[C@@H](CNC1CC[NH+](CC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001199143091 1004841278 /nfs/dbraw/zinc/84/12/78/1004841278.db2.gz CFDRBDLAAOUZJA-KRWDZBQOSA-N 1 3 357.539 2.626 20 0 FFADHO COCC[C@@H](C[NH2+]C1CCN(CC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001199143091 1004841279 /nfs/dbraw/zinc/84/12/79/1004841279.db2.gz CFDRBDLAAOUZJA-KRWDZBQOSA-N 1 3 357.539 2.626 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC001199237976 1004878231 /nfs/dbraw/zinc/87/82/31/1004878231.db2.gz KGGQCTUSNVHTOT-UHFFFAOYSA-N 1 3 359.436 2.745 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001095684597 1016986282 /nfs/dbraw/zinc/98/62/82/1016986282.db2.gz NBKVLVARBZSURP-AABGKKOBSA-N 1 3 353.510 2.579 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001490664418 1005756634 /nfs/dbraw/zinc/75/66/34/1005756634.db2.gz JKTUZGYFAUWGOY-OGWOLHLISA-N 1 3 363.933 2.973 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001490664418 1005756636 /nfs/dbraw/zinc/75/66/36/1005756636.db2.gz JKTUZGYFAUWGOY-OGWOLHLISA-N 1 3 363.933 2.973 20 0 FFADHO Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc(Cl)n1 ZINC000851645899 1005902722 /nfs/dbraw/zinc/90/27/22/1005902722.db2.gz OVFXEXORAPMBTE-DLBZAZTESA-N 1 3 374.872 2.733 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001086712286 1005962331 /nfs/dbraw/zinc/96/23/31/1005962331.db2.gz YPBBOAGCAIABHI-PWRODBHTSA-N 1 3 357.542 2.978 20 0 FFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C[C@H]1CCOC1)CC2 ZINC001202486038 1005997321 /nfs/dbraw/zinc/99/73/21/1005997321.db2.gz BPXBGGBSYMSDGL-SJORKVTESA-N 1 3 350.528 2.840 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001097085409 1017014582 /nfs/dbraw/zinc/01/45/82/1017014582.db2.gz FXMABZLOZAXILU-MHTWAQMVSA-N 1 3 353.510 2.558 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881470449 1006114392 /nfs/dbraw/zinc/11/43/92/1006114392.db2.gz RFZFAGCQZPSYJZ-OAQYLSRUSA-N 1 3 371.525 2.656 20 0 FFADHO OC1(CCNCc2cnc(C3CC3)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000883342316 1006757495 /nfs/dbraw/zinc/75/74/95/1006757495.db2.gz SMHIUBNQKQMNKY-UHFFFAOYSA-N 1 3 366.509 2.861 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[NH2+]CCC34CCC4)c2)CC1 ZINC000883556297 1006861458 /nfs/dbraw/zinc/86/14/58/1006861458.db2.gz YIVOVLDSLVBMQH-UHFFFAOYSA-N 1 3 371.529 2.578 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2CN(CCOCCC(C)C)C[C@H]21)[NH+](CC)CC ZINC001189109843 1006886969 /nfs/dbraw/zinc/88/69/69/1006886969.db2.gz GQXOICRTJQMECD-XUVXKRRUSA-N 1 3 367.578 2.702 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc([C@@H](C)O)cc3)CC2)CC1 ZINC000816898972 1007249188 /nfs/dbraw/zinc/24/91/88/1007249188.db2.gz KWOWQTOCLVPWQF-QGZVFWFLSA-N 1 3 373.541 2.552 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000855345511 1007293760 /nfs/dbraw/zinc/29/37/60/1007293760.db2.gz CEUAWCGCRCVQQU-DVQDXYAYSA-N 1 3 354.498 2.636 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000855345511 1007293768 /nfs/dbraw/zinc/29/37/68/1007293768.db2.gz CEUAWCGCRCVQQU-DVQDXYAYSA-N 1 3 354.498 2.636 20 0 FFADHO C[NH2+]CCOc1ccccc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000884200777 1007312113 /nfs/dbraw/zinc/31/21/13/1007312113.db2.gz JVLAIJXTLDLKAY-HKUYNNGSSA-N 1 3 367.493 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNCc2nccs2)CC[N@@H+]1C ZINC001170877916 1007755169 /nfs/dbraw/zinc/75/51/69/1007755169.db2.gz HOSZHBSDARHYKP-OWCLPIDISA-N 1 3 352.548 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNCc2nccs2)CC[N@H+]1C ZINC001170877916 1007755181 /nfs/dbraw/zinc/75/51/81/1007755181.db2.gz HOSZHBSDARHYKP-OWCLPIDISA-N 1 3 352.548 2.638 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(CN2CCCCC2)c1 ZINC000885888610 1007824146 /nfs/dbraw/zinc/82/41/46/1007824146.db2.gz MOEIIQKECLIWDJ-NRFANRHFSA-N 1 3 371.525 2.656 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cccc(CN2CCCCC2)c1 ZINC000885888610 1007824157 /nfs/dbraw/zinc/82/41/57/1007824157.db2.gz MOEIIQKECLIWDJ-NRFANRHFSA-N 1 3 371.525 2.656 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000817970694 1007835580 /nfs/dbraw/zinc/83/55/80/1007835580.db2.gz CLCNEZZKROXXIQ-GVDBMIGSSA-N 1 3 357.498 2.962 20 0 FFADHO Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)on1 ZINC001086820151 1007899083 /nfs/dbraw/zinc/89/90/83/1007899083.db2.gz RMALVBHHHZSISW-SCTDSRPQSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)on1 ZINC001086820151 1007899087 /nfs/dbraw/zinc/89/90/87/1007899087.db2.gz RMALVBHHHZSISW-SCTDSRPQSA-N 1 3 362.518 2.620 20 0 FFADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@H](O)c3ccccn3)C2)ccn1 ZINC000856606548 1007914299 /nfs/dbraw/zinc/91/42/99/1007914299.db2.gz KOPGCVCOXQILOB-CTNGQTDRSA-N 1 3 370.497 2.504 20 0 FFADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@H](O)c3ccccn3)C2)ccn1 ZINC000856606548 1007914306 /nfs/dbraw/zinc/91/43/06/1007914306.db2.gz KOPGCVCOXQILOB-CTNGQTDRSA-N 1 3 370.497 2.504 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000818958525 1007994944 /nfs/dbraw/zinc/99/49/44/1007994944.db2.gz PKLPZOQFUQFHSO-JOCHJYFZSA-N 1 3 371.500 2.786 20 0 FFADHO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000818957947 1007996474 /nfs/dbraw/zinc/99/64/74/1007996474.db2.gz XDBIDPXFKNJKDS-QFIPXVFZSA-N 1 3 371.500 2.705 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](OC)C1CCCC1 ZINC001110738335 1008229207 /nfs/dbraw/zinc/22/92/07/1008229207.db2.gz AVDIIGVPQHPPMX-AKHDSKFASA-N 1 3 365.562 2.643 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](OC)C1CCCC1 ZINC001110738335 1008229210 /nfs/dbraw/zinc/22/92/10/1008229210.db2.gz AVDIIGVPQHPPMX-AKHDSKFASA-N 1 3 365.562 2.643 20 0 FFADHO Cc1ccc(O[C@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)nc1 ZINC000858010544 1008277167 /nfs/dbraw/zinc/27/71/67/1008277167.db2.gz CMYKKEROQXQRGU-FQEVSTJZSA-N 1 3 355.482 2.984 20 0 FFADHO CCCN1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1=O ZINC000886628652 1008782325 /nfs/dbraw/zinc/78/23/25/1008782325.db2.gz YCVYQVHCJQJITL-WOZUAGRISA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@]1(O)CCOC1 ZINC000886629903 1008782676 /nfs/dbraw/zinc/78/26/76/1008782676.db2.gz QLDAPGBAURIKJX-IIZPIQPGSA-N 1 3 358.526 2.807 20 0 FFADHO CCc1nc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001178522301 1009018344 /nfs/dbraw/zinc/01/83/44/1009018344.db2.gz KWCMEPFWZWUSDS-NVXWUHKLSA-N 1 3 366.575 2.812 20 0 FFADHO CCc1nc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001178522301 1009018356 /nfs/dbraw/zinc/01/83/56/1009018356.db2.gz KWCMEPFWZWUSDS-NVXWUHKLSA-N 1 3 366.575 2.812 20 0 FFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000887134264 1009045939 /nfs/dbraw/zinc/04/59/39/1009045939.db2.gz GLOVZJFYZZKLBP-ZWKOTPCHSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000887226490 1009081837 /nfs/dbraw/zinc/08/18/37/1009081837.db2.gz OLRJKSCBWDSPEU-MRXNPFEDSA-N 1 3 353.470 2.886 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000887598701 1009373327 /nfs/dbraw/zinc/37/33/27/1009373327.db2.gz FFVPQAITPIWDMV-IBGZPJMESA-N 1 3 358.530 2.949 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1)C(C)C ZINC000889770567 1010104040 /nfs/dbraw/zinc/10/40/40/1010104040.db2.gz UMUSIIHPCJOPKR-NHCUHLMSSA-N 1 3 373.541 2.588 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1)C(C)C ZINC000889770567 1010104047 /nfs/dbraw/zinc/10/40/47/1010104047.db2.gz UMUSIIHPCJOPKR-NHCUHLMSSA-N 1 3 373.541 2.588 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000863218035 1010131690 /nfs/dbraw/zinc/13/16/90/1010131690.db2.gz NCZCOAYOAJUCJD-IBGZPJMESA-N 1 3 374.598 2.847 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000863218035 1010131700 /nfs/dbraw/zinc/13/17/00/1010131700.db2.gz NCZCOAYOAJUCJD-IBGZPJMESA-N 1 3 374.598 2.847 20 0 FFADHO Cc1ncoc1CN1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093224156 1010168377 /nfs/dbraw/zinc/16/83/77/1010168377.db2.gz MOUSQSQSZQUAKZ-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO Cc1ncoc1C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224156 1010168386 /nfs/dbraw/zinc/16/83/86/1010168386.db2.gz MOUSQSQSZQUAKZ-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO Cc1ncoc1C[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224156 1010168391 /nfs/dbraw/zinc/16/83/91/1010168391.db2.gz MOUSQSQSZQUAKZ-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H](C)C1)N(C)C ZINC001094020663 1010787101 /nfs/dbraw/zinc/78/71/01/1010787101.db2.gz SDQMWZCHOLEQLG-IDHHARJASA-N 1 3 367.484 2.735 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001094040175 1010802309 /nfs/dbraw/zinc/80/23/09/1010802309.db2.gz DIIFVFNBWWTRMJ-FUHIMQAGSA-N 1 3 368.525 2.836 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCC(F)(F)CC3)[C@H](C)C2)C1 ZINC001094042614 1010804485 /nfs/dbraw/zinc/80/44/85/1010804485.db2.gz XZLYJAFDWQIEOW-LZLYRXPVSA-N 1 3 371.516 2.838 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(CF)cc3)[C@H](C)C2)C1 ZINC001094042317 1010805112 /nfs/dbraw/zinc/80/51/12/1010805112.db2.gz RLUMCJAYWQLCJU-SQGPQFPESA-N 1 3 361.505 2.682 20 0 FFADHO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000866239001 1010958981 /nfs/dbraw/zinc/95/89/81/1010958981.db2.gz OHDLQZBSCXJQQU-LJQANCHMSA-N 1 3 352.526 2.940 20 0 FFADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161918 1011321868 /nfs/dbraw/zinc/32/18/68/1011321868.db2.gz YKEPBECRBRWBFU-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161918 1011321883 /nfs/dbraw/zinc/32/18/83/1011321883.db2.gz YKEPBECRBRWBFU-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001274231653 1011332501 /nfs/dbraw/zinc/33/25/01/1011332501.db2.gz ZUKPNFIYJVXSOU-VOBGVNJCSA-N 1 3 359.489 2.779 20 0 FFADHO C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000869008176 1011567194 /nfs/dbraw/zinc/56/71/94/1011567194.db2.gz DRVWEFNSUUCUFI-SCCNAQOGSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@]1(CO)CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172068209 1011628101 /nfs/dbraw/zinc/62/81/01/1011628101.db2.gz HZZWRNHQYFFTLR-PVIWCNJMSA-N 1 3 358.526 2.637 20 0 FFADHO C[C@]1(CO)CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172068209 1011628108 /nfs/dbraw/zinc/62/81/08/1011628108.db2.gz HZZWRNHQYFFTLR-PVIWCNJMSA-N 1 3 358.526 2.637 20 0 FFADHO CN(C)C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001172067131 1011628688 /nfs/dbraw/zinc/62/86/88/1011628688.db2.gz AXBATHQVOVZLCO-CIAFKFPVSA-N 1 3 357.542 2.835 20 0 FFADHO CN(C)C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172067131 1011628693 /nfs/dbraw/zinc/62/86/93/1011628693.db2.gz AXBATHQVOVZLCO-CIAFKFPVSA-N 1 3 357.542 2.835 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001172117826 1011651505 /nfs/dbraw/zinc/65/15/05/1011651505.db2.gz NJVCNXRMNARYLK-WCXIOVBPSA-N 1 3 369.575 2.944 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001172117826 1011651513 /nfs/dbraw/zinc/65/15/13/1011651513.db2.gz NJVCNXRMNARYLK-WCXIOVBPSA-N 1 3 369.575 2.944 20 0 FFADHO O=C1CC[C@H]2C[C@@H]([NH2+]CC3CCN(Cc4ccccc4F)CC3)CCN12 ZINC001172154499 1011667854 /nfs/dbraw/zinc/66/78/54/1011667854.db2.gz HQYHPWGONUDORT-OALUTQOASA-N 1 3 359.489 2.781 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccnc3ccccc32)CC1 ZINC000869236763 1011687014 /nfs/dbraw/zinc/68/70/14/1011687014.db2.gz INSBERYIQKQLAG-KRWDZBQOSA-N 1 3 368.525 2.655 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccnc3ccccc32)CC1 ZINC000869236763 1011687022 /nfs/dbraw/zinc/68/70/22/1011687022.db2.gz INSBERYIQKQLAG-KRWDZBQOSA-N 1 3 368.525 2.655 20 0 FFADHO COCCC[NH+]1CCC(N2CC[C@H](C(=O)OC)[C@@H]2c2ccccc2)CC1 ZINC001172257280 1011733684 /nfs/dbraw/zinc/73/36/84/1011733684.db2.gz LXKVHGAIADDODL-PMACEKPBSA-N 1 3 360.498 2.724 20 0 FFADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172283075 1011746541 /nfs/dbraw/zinc/74/65/41/1011746541.db2.gz IHEOWSHCCBUCIS-PMACEKPBSA-N 1 3 373.541 2.952 20 0 FFADHO Cc1cc(N2CCN([C@H]3CCN(Cc4ccccc4)C(=O)C3)CC2)cc[nH+]1 ZINC001172685695 1011936691 /nfs/dbraw/zinc/93/66/91/1011936691.db2.gz SVZIOYKQUDVBBF-NRFANRHFSA-N 1 3 364.493 2.703 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCc3nnc(Cn4cccc4)n3CC2)CC1 ZINC001173111663 1012259440 /nfs/dbraw/zinc/25/94/40/1012259440.db2.gz ORCCSXFIOBPKSF-UHFFFAOYSA-N 1 3 370.545 2.639 20 0 FFADHO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+](CCCN3CCCCC3)CC2)C1=O ZINC001275344057 1012342006 /nfs/dbraw/zinc/34/20/06/1012342006.db2.gz WWTCRTHEMGYWTG-GHTZIAJQSA-N 1 3 363.546 2.545 20 0 FFADHO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+](CCCN3CCCCC3)CC2)C1=O ZINC001275344057 1012342009 /nfs/dbraw/zinc/34/20/09/1012342009.db2.gz WWTCRTHEMGYWTG-GHTZIAJQSA-N 1 3 363.546 2.545 20 0 FFADHO COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001275344345 1012343172 /nfs/dbraw/zinc/34/31/72/1012343172.db2.gz YEJMXBWZNVUJHB-SFHVURJKSA-N 1 3 365.562 2.506 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)o1 ZINC000647184594 1012400997 /nfs/dbraw/zinc/40/09/97/1012400997.db2.gz RGVNLYZWADVOAT-INIZCTEOSA-N 1 3 358.486 2.579 20 0 FFADHO COc1ccc(C(=O)N2CCC(N(C)CCC[NH+]3CCCC3)CC2)cc1 ZINC001173407934 1012533889 /nfs/dbraw/zinc/53/38/89/1012533889.db2.gz NGHWTUNVDVJGQW-UHFFFAOYSA-N 1 3 359.514 2.718 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])NC1Cc2cc(F)c(F)cc2C1 ZINC001173478685 1012606967 /nfs/dbraw/zinc/60/69/67/1012606967.db2.gz VGUQBKUTWOVZLS-INIZCTEOSA-N 1 3 355.429 2.611 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908330 1012630125 /nfs/dbraw/zinc/63/01/25/1012630125.db2.gz FYSQNYXPGGOUCN-RYRKJORJSA-N 1 3 369.431 2.723 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000647977532 1012654731 /nfs/dbraw/zinc/65/47/31/1012654731.db2.gz DBNHWKKRKUBICD-RTBURBONSA-N 1 3 365.562 2.554 20 0 FFADHO C[C@H](NC(=O)C1(N)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648167506 1012766426 /nfs/dbraw/zinc/76/64/26/1012766426.db2.gz WVPSXTFGJIAPDM-UWJYYQICSA-N 1 3 363.505 2.510 20 0 FFADHO C[C@H](NC(=O)C1(N)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648167506 1012766443 /nfs/dbraw/zinc/76/64/43/1012766443.db2.gz WVPSXTFGJIAPDM-UWJYYQICSA-N 1 3 363.505 2.510 20 0 FFADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001173630182 1012801606 /nfs/dbraw/zinc/80/16/06/1012801606.db2.gz GFZPXSIZOTUQER-IEBWSBKVSA-N 1 3 352.519 2.589 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001052393032 1017394310 /nfs/dbraw/zinc/39/43/10/1017394310.db2.gz DGPYBZIELACJBV-NZSAHSFTSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001052393032 1017394323 /nfs/dbraw/zinc/39/43/23/1017394323.db2.gz DGPYBZIELACJBV-NZSAHSFTSA-N 1 3 361.505 2.945 20 0 FFADHO [NH3+][C@H](C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C1CCC1 ZINC000828443716 1032703393 /nfs/dbraw/zinc/70/33/93/1032703393.db2.gz HAYFPDVFQDYGGS-FQEVSTJZSA-N 1 3 372.513 2.957 20 0 FFADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000924992006 1017574270 /nfs/dbraw/zinc/57/42/70/1017574270.db2.gz KNXBQFQZAOEJFD-ZSJMHYJMSA-N 1 3 370.585 2.798 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnnn1-c1ccccc1 ZINC000925439884 1017741701 /nfs/dbraw/zinc/74/17/01/1017741701.db2.gz OBQSVEWEZWYYNF-KURKYZTESA-N 1 3 357.502 2.807 20 0 FFADHO C#CCN1CCC(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187325266 1018027745 /nfs/dbraw/zinc/02/77/45/1018027745.db2.gz GIQDNMMPRNWHHX-NRFANRHFSA-N 1 3 355.526 2.604 20 0 FFADHO C#CCN1CCC(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187325266 1018027761 /nfs/dbraw/zinc/02/77/61/1018027761.db2.gz GIQDNMMPRNWHHX-NRFANRHFSA-N 1 3 355.526 2.604 20 0 FFADHO C#CCN1CCC(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187325247 1018028898 /nfs/dbraw/zinc/02/88/98/1018028898.db2.gz GIQDNMMPRNWHHX-OAQYLSRUSA-N 1 3 355.526 2.604 20 0 FFADHO C#CCN1CCC(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187325247 1018028908 /nfs/dbraw/zinc/02/89/08/1018028908.db2.gz GIQDNMMPRNWHHX-OAQYLSRUSA-N 1 3 355.526 2.604 20 0 FFADHO CN1CCN(CC[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC1(C)C ZINC000926357352 1018092361 /nfs/dbraw/zinc/09/23/61/1018092361.db2.gz ONDZQHLPXNKEFZ-QFIPXVFZSA-N 1 3 366.553 2.851 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc(Cl)n1 ZINC000827479566 1018195789 /nfs/dbraw/zinc/19/57/89/1018195789.db2.gz ZXEBUBYLJAPSBZ-ROUUACIJSA-N 1 3 374.916 2.722 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)cc1CN1CCCCC1 ZINC000927134183 1018377753 /nfs/dbraw/zinc/37/77/53/1018377753.db2.gz HKESSFYUTJAJJZ-OXJNMPFZSA-N 1 3 372.513 2.799 20 0 FFADHO CN1CCN(c2ccc(CN3CCCC[C@@]4(CCCC[NH2+]C4)C3)cn2)CC1 ZINC001222166634 1032798472 /nfs/dbraw/zinc/79/84/72/1032798472.db2.gz AOUPDHLZYSWKRO-JOCHJYFZSA-N 1 3 371.573 2.579 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1CCCc1cccc(OC)c1)CC[NH2+]CC2 ZINC001222215374 1032826137 /nfs/dbraw/zinc/82/61/37/1032826137.db2.gz DAOFASNYUAZYEO-IBGZPJMESA-N 1 3 360.498 2.635 20 0 FFADHO C[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930136010 1019887877 /nfs/dbraw/zinc/88/78/77/1019887877.db2.gz ISLNGAMBQHKKAI-RSPOEFSDSA-N 1 3 363.496 2.993 20 0 FFADHO C[NH+](C)CC1(O)CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000931480448 1020483767 /nfs/dbraw/zinc/48/37/67/1020483767.db2.gz CDASFGQFUNFMRY-UHFFFAOYSA-N 1 3 355.482 2.549 20 0 FFADHO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000903214474 1020746039 /nfs/dbraw/zinc/74/60/39/1020746039.db2.gz AMWZQENGQOQFQC-PLACYPQZSA-N 1 3 355.526 2.745 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001098460521 1020928095 /nfs/dbraw/zinc/92/80/95/1020928095.db2.gz FSZTXCUWECOSPV-JYRKZWEQSA-N 1 3 371.525 2.652 20 0 FFADHO CC(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029595 1021629750 /nfs/dbraw/zinc/62/97/50/1021629750.db2.gz GOQNBWSZSHOGMQ-DBVUQKKJSA-N 1 3 353.526 2.826 20 0 FFADHO CC(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029595 1021629757 /nfs/dbraw/zinc/62/97/57/1021629757.db2.gz GOQNBWSZSHOGMQ-DBVUQKKJSA-N 1 3 353.526 2.826 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)cc1F ZINC001099122588 1021864035 /nfs/dbraw/zinc/86/40/35/1021864035.db2.gz AYNRLSAUPVIMND-AVRDEDQJSA-N 1 3 371.500 2.701 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001014503899 1021880656 /nfs/dbraw/zinc/88/06/56/1021880656.db2.gz SRJZPGXGEMOCEM-PCCBWWKXSA-N 1 3 355.526 2.596 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001014503899 1021880669 /nfs/dbraw/zinc/88/06/69/1021880669.db2.gz SRJZPGXGEMOCEM-PCCBWWKXSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515358 1033022079 /nfs/dbraw/zinc/02/20/79/1033022079.db2.gz PNKYFLAVSDJDCH-KRWDZBQOSA-N 1 3 357.542 2.717 20 0 FFADHO C[NH2+][C@@H](C)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001118196307 1022113014 /nfs/dbraw/zinc/11/30/14/1022113014.db2.gz BDGGDTAFIXETBS-YOEHRIQHSA-N 1 3 357.420 2.555 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)[C@@H](c2ccccc2)C1 ZINC001039926369 1022790934 /nfs/dbraw/zinc/79/09/34/1022790934.db2.gz QAZHOFTZDISFCB-MBDNFAEBSA-N 1 3 367.537 2.807 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)[C@@H](c2ccccc2)C1 ZINC001039926369 1022790944 /nfs/dbraw/zinc/79/09/44/1022790944.db2.gz QAZHOFTZDISFCB-MBDNFAEBSA-N 1 3 367.537 2.807 20 0 FFADHO COCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001222689334 1033115792 /nfs/dbraw/zinc/11/57/92/1033115792.db2.gz OOXYZKORTUHBHK-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001222689334 1033115798 /nfs/dbraw/zinc/11/57/98/1033115798.db2.gz OOXYZKORTUHBHK-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3ocnc3C)CC2)CC[N@@H+]1C ZINC000948388739 1023250327 /nfs/dbraw/zinc/25/03/27/1023250327.db2.gz JPSANCAADJWFDO-OKZBNKHCSA-N 1 3 362.518 2.526 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3ocnc3C)CC2)CC[N@H+]1C ZINC000948388739 1023250335 /nfs/dbraw/zinc/25/03/35/1023250335.db2.gz JPSANCAADJWFDO-OKZBNKHCSA-N 1 3 362.518 2.526 20 0 FFADHO CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC001120573071 1023367012 /nfs/dbraw/zinc/36/70/12/1023367012.db2.gz MJQNYIJOVPJSFB-IEBWSBKVSA-N 1 3 362.514 2.740 20 0 FFADHO Cc1ccc(NC(=O)[C@H]2CCCN2CC(C)C)cc1NC(=O)CC[NH+](C)C ZINC001120632243 1023395749 /nfs/dbraw/zinc/39/57/49/1023395749.db2.gz GAPHBLSYMAVSTD-LJQANCHMSA-N 1 3 374.529 2.944 20 0 FFADHO Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000755236993 1023582272 /nfs/dbraw/zinc/58/22/72/1023582272.db2.gz UCDWFSXJVNKQIV-NRFANRHFSA-N 1 3 359.558 2.686 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3c4ccncc4C[C@@H]3C)CC2)CC1 ZINC001123845576 1024083334 /nfs/dbraw/zinc/08/33/34/1024083334.db2.gz VEYJYQKQHRLTMP-INIZCTEOSA-N 1 3 356.514 2.556 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001121909391 1024158925 /nfs/dbraw/zinc/15/89/25/1024158925.db2.gz QGRMIHFMFWEVHZ-CALCHBBNSA-N 1 3 359.514 2.657 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001121909391 1024158934 /nfs/dbraw/zinc/15/89/34/1024158934.db2.gz QGRMIHFMFWEVHZ-CALCHBBNSA-N 1 3 359.514 2.657 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1C[NH2+]CCC12CCC2 ZINC001121917340 1024166734 /nfs/dbraw/zinc/16/67/34/1024166734.db2.gz SBNXDNSVWDMTBH-HXUWFJFHSA-N 1 3 371.525 2.609 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001101282100 1024313094 /nfs/dbraw/zinc/31/30/94/1024313094.db2.gz RNKXXZWGHRXVDH-KNQAVFIVSA-N 1 3 357.542 2.740 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001101282100 1024313110 /nfs/dbraw/zinc/31/31/10/1024313110.db2.gz RNKXXZWGHRXVDH-KNQAVFIVSA-N 1 3 357.542 2.740 20 0 FFADHO CCOC(=O)c1c(C)csc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218531445 1033205657 /nfs/dbraw/zinc/20/56/57/1033205657.db2.gz IJWAONQPOKBUMP-ZDUSSCGKSA-N 1 3 355.504 2.667 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCc3ccc(C)cc3)C[C@@]2(C)C1 ZINC001101400090 1024637100 /nfs/dbraw/zinc/63/71/00/1024637100.db2.gz GBDVABXWPAKVFX-IRLDBZIGSA-N 1 3 357.542 2.660 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@@]2(C)C1 ZINC001101400090 1024637105 /nfs/dbraw/zinc/63/71/05/1024637105.db2.gz GBDVABXWPAKVFX-IRLDBZIGSA-N 1 3 357.542 2.660 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@]2(C)C1 ZINC001101438674 1024745959 /nfs/dbraw/zinc/74/59/59/1024745959.db2.gz NDBHSDGLWQYFPF-KNQAVFIVSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@]2(C)C1 ZINC001101438674 1024745969 /nfs/dbraw/zinc/74/59/69/1024745969.db2.gz NDBHSDGLWQYFPF-KNQAVFIVSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3C)C[C@@]2(C)C1 ZINC001101444023 1024758827 /nfs/dbraw/zinc/75/88/27/1024758827.db2.gz UKJJDXKOAKSKGJ-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@@]2(C)C1 ZINC001101444023 1024758837 /nfs/dbraw/zinc/75/88/37/1024758837.db2.gz UKJJDXKOAKSKGJ-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101486867 1024870786 /nfs/dbraw/zinc/87/07/86/1024870786.db2.gz CUYLJUNCTWRDEX-GGPKGHCWSA-N 1 3 353.526 2.781 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC[C@@H]3CCCCO3)[C@H]2C1 ZINC001223022819 1033246926 /nfs/dbraw/zinc/24/69/26/1033246926.db2.gz FHYAPJJZDOBJKI-QYZOEREBSA-N 1 3 365.562 2.599 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC[C@@H]3CCCCO3)[C@H]2C1 ZINC001223022819 1033246940 /nfs/dbraw/zinc/24/69/40/1033246940.db2.gz FHYAPJJZDOBJKI-QYZOEREBSA-N 1 3 365.562 2.599 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001102015360 1025298996 /nfs/dbraw/zinc/29/89/96/1025298996.db2.gz DPWWEMRQBCBJRC-DJIMGWMZSA-N 1 3 355.523 2.612 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001102015360 1025299010 /nfs/dbraw/zinc/29/90/10/1025299010.db2.gz DPWWEMRQBCBJRC-DJIMGWMZSA-N 1 3 355.523 2.612 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051683 1025362649 /nfs/dbraw/zinc/36/26/49/1025362649.db2.gz FMJAHLNAXDSBTA-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051683 1025362657 /nfs/dbraw/zinc/36/26/57/1025362657.db2.gz FMJAHLNAXDSBTA-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ccc2OC)C[C@H]1C)N(C)C ZINC001102087959 1025412300 /nfs/dbraw/zinc/41/23/00/1025412300.db2.gz DXYQKWUROMFEFE-BHIYHBOVSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ccc2OC)C[C@H]1C)N(C)C ZINC001102087959 1025412306 /nfs/dbraw/zinc/41/23/06/1025412306.db2.gz DXYQKWUROMFEFE-BHIYHBOVSA-N 1 3 361.530 2.528 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637717087 1025543852 /nfs/dbraw/zinc/54/38/52/1025543852.db2.gz DJHGVDKTZMOVLC-WOJBJXKFSA-N 1 3 358.530 2.553 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637717087 1025543858 /nfs/dbraw/zinc/54/38/58/1025543858.db2.gz DJHGVDKTZMOVLC-WOJBJXKFSA-N 1 3 358.530 2.553 20 0 FFADHO COc1cccc([C@H](CNC(=O)c2oc(CN)cc2C)[NH+]2CCCC2)c1 ZINC000638051826 1025679927 /nfs/dbraw/zinc/67/99/27/1025679927.db2.gz SDLLEUZDZFYUBK-SFHVURJKSA-N 1 3 357.454 2.622 20 0 FFADHO CC(C)CC[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000638124667 1025712059 /nfs/dbraw/zinc/71/20/59/1025712059.db2.gz UEYHWJFSLUAIDE-LJQANCHMSA-N 1 3 365.493 2.549 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000638268806 1025758164 /nfs/dbraw/zinc/75/81/64/1025758164.db2.gz SBXMVZCJBANNSN-QUCCMNQESA-N 1 3 358.530 2.730 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c1 ZINC001102366645 1025817730 /nfs/dbraw/zinc/81/77/30/1025817730.db2.gz MJVGLCLLQHLWSC-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c1 ZINC001102366645 1025817747 /nfs/dbraw/zinc/81/77/47/1025817747.db2.gz MJVGLCLLQHLWSC-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c1 ZINC001102366478 1025818113 /nfs/dbraw/zinc/81/81/13/1025818113.db2.gz GQKIGQAZHOBGNA-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c1 ZINC001102366478 1025818127 /nfs/dbraw/zinc/81/81/27/1025818127.db2.gz GQKIGQAZHOBGNA-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1C)N(C)C ZINC001102377670 1025848106 /nfs/dbraw/zinc/84/81/06/1025848106.db2.gz BFCANOYQHZGYTN-OIISXLGYSA-N 1 3 364.534 2.631 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1C)N(C)C ZINC001102377670 1025848123 /nfs/dbraw/zinc/84/81/23/1025848123.db2.gz BFCANOYQHZGYTN-OIISXLGYSA-N 1 3 364.534 2.631 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430380 1025963553 /nfs/dbraw/zinc/96/35/53/1025963553.db2.gz OIPHFQKWLSNQLA-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430380 1025963566 /nfs/dbraw/zinc/96/35/66/1025963566.db2.gz OIPHFQKWLSNQLA-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430547 1025965151 /nfs/dbraw/zinc/96/51/51/1025965151.db2.gz WHPJTLBTAYHKFE-HSALFYBXSA-N 1 3 367.578 2.752 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430547 1025965164 /nfs/dbraw/zinc/96/51/64/1025965164.db2.gz WHPJTLBTAYHKFE-HSALFYBXSA-N 1 3 367.578 2.752 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000638728958 1025967478 /nfs/dbraw/zinc/96/74/78/1025967478.db2.gz NUOGJYBGNWHHSQ-LJQANCHMSA-N 1 3 373.541 2.816 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1C ZINC001102472082 1026039374 /nfs/dbraw/zinc/03/93/74/1026039374.db2.gz HAFREULWDCSZCS-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1C ZINC001102472082 1026039394 /nfs/dbraw/zinc/03/93/94/1026039394.db2.gz HAFREULWDCSZCS-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C ZINC001102472199 1026040146 /nfs/dbraw/zinc/04/01/46/1026040146.db2.gz NUODCBGWNHCGFQ-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C ZINC001102472199 1026040165 /nfs/dbraw/zinc/04/01/65/1026040165.db2.gz NUODCBGWNHCGFQ-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102525139 1026213518 /nfs/dbraw/zinc/21/35/18/1026213518.db2.gz MQSUKMJOFKATJA-KFWWJZLASA-N 1 3 364.361 2.596 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102525139 1026213529 /nfs/dbraw/zinc/21/35/29/1026213529.db2.gz MQSUKMJOFKATJA-KFWWJZLASA-N 1 3 364.361 2.596 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@H]1C ZINC001102525256 1026215850 /nfs/dbraw/zinc/21/58/50/1026215850.db2.gz SYTHXLLROIBEGO-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@H]1C ZINC001102525256 1026215866 /nfs/dbraw/zinc/21/58/66/1026215866.db2.gz SYTHXLLROIBEGO-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102525592 1026217990 /nfs/dbraw/zinc/21/79/90/1026217990.db2.gz KJFARINPMGAJRU-JXXFODFXSA-N 1 3 361.505 2.839 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102525592 1026218000 /nfs/dbraw/zinc/21/80/00/1026218000.db2.gz KJFARINPMGAJRU-JXXFODFXSA-N 1 3 361.505 2.839 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001102531831 1026242535 /nfs/dbraw/zinc/24/25/35/1026242535.db2.gz HWLSAWWHZWHERQ-SJLPKXTDSA-N 1 3 354.498 2.762 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001102531831 1026242547 /nfs/dbraw/zinc/24/25/47/1026242547.db2.gz HWLSAWWHZWHERQ-SJLPKXTDSA-N 1 3 354.498 2.762 20 0 FFADHO OCC[C@H]1CCC[N@@H+](C[C@H](CN2CCC[C@@H](CCO)C2)c2ccccc2)C1 ZINC000639476211 1026325260 /nfs/dbraw/zinc/32/52/60/1026325260.db2.gz BYCCUXOESNJILR-IUTQVRIDSA-N 1 3 374.569 2.959 20 0 FFADHO OCC[C@H]1CCC[N@H+](C[C@H](CN2CCC[C@@H](CCO)C2)c2ccccc2)C1 ZINC000639476211 1026325273 /nfs/dbraw/zinc/32/52/73/1026325273.db2.gz BYCCUXOESNJILR-IUTQVRIDSA-N 1 3 374.569 2.959 20 0 FFADHO OCC[C@H]1CCCN(C[C@H](C[N@@H+]2CCC[C@@H](CCO)C2)c2ccccc2)C1 ZINC000639476211 1026325280 /nfs/dbraw/zinc/32/52/80/1026325280.db2.gz BYCCUXOESNJILR-IUTQVRIDSA-N 1 3 374.569 2.959 20 0 FFADHO OCC[C@H]1CCCN(C[C@H](C[N@H+]2CCC[C@@H](CCO)C2)c2ccccc2)C1 ZINC000639476211 1026325292 /nfs/dbraw/zinc/32/52/92/1026325292.db2.gz BYCCUXOESNJILR-IUTQVRIDSA-N 1 3 374.569 2.959 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C)[NH+]1CCCCC1 ZINC001102601604 1026403221 /nfs/dbraw/zinc/40/32/21/1026403221.db2.gz JKYNXRRSPLFFQE-WFJGZTCRSA-N 1 3 355.954 2.934 20 0 FFADHO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCN(c3ccncc3)CC2)CC1 ZINC000639703749 1026439932 /nfs/dbraw/zinc/43/99/32/1026439932.db2.gz NTIWARGEKFNDJE-UHFFFAOYSA-N 1 3 358.530 2.878 20 0 FFADHO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCN(c3ccncc3)CC2)CC1 ZINC000639703749 1026439936 /nfs/dbraw/zinc/43/99/36/1026439936.db2.gz NTIWARGEKFNDJE-UHFFFAOYSA-N 1 3 358.530 2.878 20 0 FFADHO Cc1nc(NC2CC[NH+](CC3CCOCC3)CC2)cc(N2CCCC2)n1 ZINC001161212634 1026540416 /nfs/dbraw/zinc/54/04/16/1026540416.db2.gz NVMSXNBUVIVYOZ-UHFFFAOYSA-N 1 3 359.518 2.688 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001103060202 1026921112 /nfs/dbraw/zinc/92/11/12/1026921112.db2.gz AMZXXLUIWXRKST-JFIYKMOQSA-N 1 3 364.559 2.592 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001103060202 1026921117 /nfs/dbraw/zinc/92/11/17/1026921117.db2.gz AMZXXLUIWXRKST-JFIYKMOQSA-N 1 3 364.559 2.592 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001103088210 1026950828 /nfs/dbraw/zinc/95/08/28/1026950828.db2.gz YPAUABFEYRQZPV-ZMYBRWDISA-N 1 3 363.571 2.971 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001103088210 1026950837 /nfs/dbraw/zinc/95/08/37/1026950837.db2.gz YPAUABFEYRQZPV-ZMYBRWDISA-N 1 3 363.571 2.971 20 0 FFADHO Cc1ccncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111627 1026971665 /nfs/dbraw/zinc/97/16/65/1026971665.db2.gz FHSOPOBHKHMCKS-GGPKGHCWSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1ccncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111627 1026971669 /nfs/dbraw/zinc/97/16/69/1026971669.db2.gz FHSOPOBHKHMCKS-GGPKGHCWSA-N 1 3 360.546 2.550 20 0 FFADHO CCOc1nccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460188 1027397033 /nfs/dbraw/zinc/39/70/33/1027397033.db2.gz DGTOQDHDXQEAJJ-UHFFFAOYSA-N 1 3 365.481 2.785 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(CC=C(Cl)Cl)C[C@H]2C)C1 ZINC001103436414 1027482428 /nfs/dbraw/zinc/48/24/28/1027482428.db2.gz WZNASDOTRRUOCM-RBSFLKMASA-N 1 3 362.345 2.721 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(CC=C(Cl)Cl)C[C@H]2C)C1 ZINC001103436414 1027482441 /nfs/dbraw/zinc/48/24/41/1027482441.db2.gz WZNASDOTRRUOCM-RBSFLKMASA-N 1 3 362.345 2.721 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001160247469 1027648261 /nfs/dbraw/zinc/64/82/61/1027648261.db2.gz BXPAAWVKNLPLMK-IBGZPJMESA-N 1 3 365.562 2.680 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001103663721 1027921418 /nfs/dbraw/zinc/92/14/18/1027921418.db2.gz QHMVTAGRYCFCJS-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001103663721 1027921421 /nfs/dbraw/zinc/92/14/21/1027921421.db2.gz QHMVTAGRYCFCJS-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001103664544 1027924480 /nfs/dbraw/zinc/92/44/80/1027924480.db2.gz IADOSGNFJSCZHI-IAGOWNOFSA-N 1 3 351.560 2.707 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001103664544 1027924493 /nfs/dbraw/zinc/92/44/93/1027924493.db2.gz IADOSGNFJSCZHI-IAGOWNOFSA-N 1 3 351.560 2.707 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC001160955720 1027942893 /nfs/dbraw/zinc/94/28/93/1027942893.db2.gz GAZGADUVMNPGIN-UZKOGDIHSA-N 1 3 371.525 2.508 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)C=C2CC[NH2+]CC2)cc1 ZINC001160957456 1027946063 /nfs/dbraw/zinc/94/60/63/1027946063.db2.gz RUSJFTXEOAIFFP-FQEVSTJZSA-N 1 3 371.525 2.818 20 0 FFADHO N[C@H](C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1)C1CCCCC1 ZINC001161092090 1028007570 /nfs/dbraw/zinc/00/75/70/1028007570.db2.gz WEMMAMQRDCAEKD-IBGZPJMESA-N 1 3 367.497 2.622 20 0 FFADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000643480227 1028018208 /nfs/dbraw/zinc/01/82/08/1028018208.db2.gz JYZVNFCKATUKDZ-KMKNWIINSA-N 1 3 357.542 2.644 20 0 FFADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000643480229 1028019111 /nfs/dbraw/zinc/01/91/11/1028019111.db2.gz JYZVNFCKATUKDZ-OHLDOZIISA-N 1 3 357.542 2.644 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001103757219 1028145700 /nfs/dbraw/zinc/14/57/00/1028145700.db2.gz RDSRSETWRVGBNC-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001103757219 1028145706 /nfs/dbraw/zinc/14/57/06/1028145706.db2.gz RDSRSETWRVGBNC-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO COc1ccc([C@H](C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC001161447232 1028179739 /nfs/dbraw/zinc/17/97/39/1028179739.db2.gz WILJNFNRCOWTGQ-AZUAARDMSA-N 1 3 361.530 2.577 20 0 FFADHO Cc1cccc(C2(CC(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)CCC2)c1 ZINC001161450038 1028179991 /nfs/dbraw/zinc/17/99/91/1028179991.db2.gz YNGQBUNYHJKXSO-FQEVSTJZSA-N 1 3 357.542 2.949 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]Cc1ccc(F)cc1F ZINC001103999734 1028464235 /nfs/dbraw/zinc/46/42/35/1028464235.db2.gz JRMQHLAQTMBAOR-OGWOLHLISA-N 1 3 365.468 2.633 20 0 FFADHO CC(C)[NH+]1CCN(c2ccc(N[C@@H]3CNCc4ccsc43)cn2)CC1 ZINC001163227842 1028847705 /nfs/dbraw/zinc/84/77/05/1028847705.db2.gz ZCQQJWCKKWSNJO-QGZVFWFLSA-N 1 3 357.527 2.930 20 0 FFADHO O=C(Nc1cccc(N[C@H]2CNCc3ccsc32)c1)NC1CC[NH2+]CC1 ZINC001163229757 1028850060 /nfs/dbraw/zinc/85/00/60/1028850060.db2.gz LAZOSWURGLCMQB-KRWDZBQOSA-N 1 3 371.510 2.878 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001164485572 1029293988 /nfs/dbraw/zinc/29/39/88/1029293988.db2.gz IUYDFHDBXRQPHS-FGTMMUONSA-N 1 3 365.481 2.628 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001164485572 1029294004 /nfs/dbraw/zinc/29/40/04/1029294004.db2.gz IUYDFHDBXRQPHS-FGTMMUONSA-N 1 3 365.481 2.628 20 0 FFADHO CN1CCc2nc(Cl)nc(-n3c4ccc(F)cc4c4c3CC[NH2+]C4)c2C1 ZINC001165152262 1029424876 /nfs/dbraw/zinc/42/48/76/1029424876.db2.gz ZXRJOXVJOXWMRS-UHFFFAOYSA-N 1 3 371.847 2.847 20 0 FFADHO N=C(NCCCC[NH3+])NC(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001157099050 1029465905 /nfs/dbraw/zinc/46/59/05/1029465905.db2.gz ICORXSNYWUGKCW-UHFFFAOYSA-N 1 3 368.819 2.699 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCCOC)C2)N(CC)CC ZINC001111869789 1029648839 /nfs/dbraw/zinc/64/88/39/1029648839.db2.gz KEYMFAZSBRWOOD-BJLQDIEVSA-N 1 3 353.551 2.504 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCCOC)C2)N(CC)CC ZINC001111869789 1029648844 /nfs/dbraw/zinc/64/88/44/1029648844.db2.gz KEYMFAZSBRWOOD-BJLQDIEVSA-N 1 3 353.551 2.504 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(CCOCC(C)C)C2)[NH+](CC)CC ZINC001111870061 1029649532 /nfs/dbraw/zinc/64/95/32/1029649532.db2.gz ZMYOPLSPXRQYTM-ZJOUEHCJSA-N 1 3 367.578 2.750 20 0 FFADHO CCOc1cc(Cl)nc(N2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001157838243 1029672835 /nfs/dbraw/zinc/67/28/35/1029672835.db2.gz UDSFUHCEZWIZCL-UHFFFAOYSA-N 1 3 352.910 2.598 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cnc4cc(Cl)ccc4n3)CC2)CC1 ZINC001157837984 1029672950 /nfs/dbraw/zinc/67/29/50/1029672950.db2.gz MMAREZLRWYWLIK-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO Cc1cccc(Oc2nc(Cl)ncc2NC(=N)N2CC[NH+](C)CC2)c1 ZINC001157916343 1029685656 /nfs/dbraw/zinc/68/56/56/1029685656.db2.gz UUEFSZJAGBEVGC-UHFFFAOYSA-N 1 3 360.849 2.825 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CN(C)CCOCC(C)C)CC[N@@H+]1C ZINC001157973386 1029697291 /nfs/dbraw/zinc/69/72/91/1029697291.db2.gz ABVHBNRYQMCMQY-HSALFYBXSA-N 1 3 367.578 2.702 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CN(C)CCOCC(C)C)CC[N@H+]1C ZINC001157973386 1029697294 /nfs/dbraw/zinc/69/72/94/1029697294.db2.gz ABVHBNRYQMCMQY-HSALFYBXSA-N 1 3 367.578 2.702 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001158076423 1029728987 /nfs/dbraw/zinc/72/89/87/1029728987.db2.gz IFGSVHQWFXZVHH-FQEVSTJZSA-N 1 3 373.541 2.831 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C)nc1C)C2 ZINC001111926886 1029754546 /nfs/dbraw/zinc/75/45/46/1029754546.db2.gz OBMZMZCTAHNPMW-FPOVZHCZSA-N 1 3 358.530 2.511 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C)nc1C)C2 ZINC001111926886 1029754554 /nfs/dbraw/zinc/75/45/54/1029754554.db2.gz OBMZMZCTAHNPMW-FPOVZHCZSA-N 1 3 358.530 2.511 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000841018031 1029981021 /nfs/dbraw/zinc/98/10/21/1029981021.db2.gz OJOFGOQHPXAPEI-UFRUDQCGSA-N 1 3 371.529 2.575 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)[C@H]1c1ccccc1 ZINC000841282807 1030156156 /nfs/dbraw/zinc/15/61/56/1030156156.db2.gz QIHAQDOEEMYJCL-RTBURBONSA-N 1 3 354.454 2.591 20 0 FFADHO CN1CCCC[C@@H]1c1ccc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)nc1 ZINC001166464059 1030413362 /nfs/dbraw/zinc/41/33/62/1030413362.db2.gz ZKZQIODYFJUEDM-GOSISDBHSA-N 1 3 374.510 2.795 20 0 FFADHO CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112353310 1030633440 /nfs/dbraw/zinc/63/34/40/1030633440.db2.gz BDDCUSNLSDQCRT-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699665970 1030708465 /nfs/dbraw/zinc/70/84/65/1030708465.db2.gz QATKARFNJFXNBH-OKZBNKHCSA-N 1 3 369.550 2.865 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3ccccc3)C2)CCC1 ZINC001112396702 1030739157 /nfs/dbraw/zinc/73/91/57/1030739157.db2.gz AGPFKFKLNPXSON-UNMCSNQZSA-N 1 3 369.553 2.932 20 0 FFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1)C1CCC1 ZINC001112401603 1030746879 /nfs/dbraw/zinc/74/68/79/1030746879.db2.gz NZPRDEKXBCOTNJ-PXNSSMCTSA-N 1 3 353.526 2.829 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNCc2cscn2)C1 ZINC001112436893 1030807628 /nfs/dbraw/zinc/80/76/28/1030807628.db2.gz MVXDWFRIKNPHAN-KXBFYZLASA-N 1 3 364.559 2.592 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNCc2cscn2)C1 ZINC001112436893 1030807637 /nfs/dbraw/zinc/80/76/37/1030807637.db2.gz MVXDWFRIKNPHAN-KXBFYZLASA-N 1 3 364.559 2.592 20 0 FFADHO CC[NH+]1CCC(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CC1 ZINC001204180795 1031149453 /nfs/dbraw/zinc/14/94/53/1031149453.db2.gz VQKGBYUEDKZORC-HXUWFJFHSA-N 1 3 365.949 2.723 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1 ZINC001204269012 1031196818 /nfs/dbraw/zinc/19/68/18/1031196818.db2.gz SOIIZTLAGYLJJJ-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO C[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000843364273 1031355372 /nfs/dbraw/zinc/35/53/72/1031355372.db2.gz ZADCQJADIOIRDM-KRWDZBQOSA-N 1 3 355.526 2.818 20 0 FFADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCC1(c2ccccc2)CCCC1 ZINC000843363890 1031356820 /nfs/dbraw/zinc/35/68/20/1031356820.db2.gz QVPHJWLTLSHZPY-UHFFFAOYSA-N 1 3 355.526 2.690 20 0 FFADHO CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363753 1031357052 /nfs/dbraw/zinc/35/70/52/1031357052.db2.gz OFCLPOHXEZKNND-GOSISDBHSA-N 1 3 359.514 2.728 20 0 FFADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178980 1031685652 /nfs/dbraw/zinc/68/56/52/1031685652.db2.gz VSYGDLBTZLEAFH-LJQANCHMSA-N 1 3 357.542 2.850 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCF)C1)C1CCC1 ZINC001205620401 1031878640 /nfs/dbraw/zinc/87/86/40/1031878640.db2.gz UKYVUXGIYLJQSO-PKOBYXMFSA-N 1 3 365.468 2.554 20 0 FFADHO C[C@H]1CCN(Cc2ccc(O)cc2I)CC[C@@H]1C[NH3+] ZINC001205638080 1031896314 /nfs/dbraw/zinc/89/63/14/1031896314.db2.gz LCRSALVNJLDNOY-NWDGAFQWSA-N 1 3 374.266 2.804 20 0 FFADHO CC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1C(F)(F)F ZINC001218843586 1033369449 /nfs/dbraw/zinc/36/94/49/1033369449.db2.gz JLFPYBBRFPQZMM-AWEZNQCLSA-N 1 3 374.407 2.662 20 0 FFADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@]2(N)CCc3cc(F)ccc3C2)cc1 ZINC001218895047 1033396530 /nfs/dbraw/zinc/39/65/30/1033396530.db2.gz FCYIIVSLDINWCD-NRFANRHFSA-N 1 3 355.457 2.887 20 0 FFADHO CCC/C=C\CCN1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049151 1033488472 /nfs/dbraw/zinc/48/84/72/1033488472.db2.gz ATZMLNYTYXYOHZ-INPAECQJSA-N 1 3 363.546 2.520 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ncccc3C)[C@H]2C1 ZINC001223962434 1033662730 /nfs/dbraw/zinc/66/27/30/1033662730.db2.gz NROUZGVHAWEUTJ-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ncccc3C)[C@H]2C1 ZINC001223962434 1033662737 /nfs/dbraw/zinc/66/27/37/1033662737.db2.gz NROUZGVHAWEUTJ-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC001219950401 1033906246 /nfs/dbraw/zinc/90/62/46/1033906246.db2.gz UWWDBOOFQAQNER-VQTJNVASSA-N 1 3 354.498 2.783 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001219980334 1033923051 /nfs/dbraw/zinc/92/30/51/1033923051.db2.gz HAIIUNZPEVDTIW-MJGOQNOKSA-N 1 3 361.530 2.582 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001219980334 1033923064 /nfs/dbraw/zinc/92/30/64/1033923064.db2.gz HAIIUNZPEVDTIW-MJGOQNOKSA-N 1 3 361.530 2.582 20 0 FFADHO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220075272 1033972336 /nfs/dbraw/zinc/97/23/36/1033972336.db2.gz GNMCYWUTNPWRHF-OAHLLOKOSA-N 1 3 356.297 2.792 20 0 FFADHO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220075272 1033972351 /nfs/dbraw/zinc/97/23/51/1033972351.db2.gz GNMCYWUTNPWRHF-OAHLLOKOSA-N 1 3 356.297 2.792 20 0 FFADHO N[C@H](CC(=O)NCC12CC[NH+](CC1)CC2)c1ccc(C(F)(F)F)cc1 ZINC001220394491 1034146491 /nfs/dbraw/zinc/14/64/91/1034146491.db2.gz IZLIWGKWAHIWMU-OAHLLOKOSA-N 1 3 355.404 2.697 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC001220621556 1034296418 /nfs/dbraw/zinc/29/64/18/1034296418.db2.gz HSKJLAUPVPTWRZ-PMACEKPBSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC001220621556 1034296426 /nfs/dbraw/zinc/29/64/26/1034296426.db2.gz HSKJLAUPVPTWRZ-PMACEKPBSA-N 1 3 358.530 2.559 20 0 FFADHO COc1ccc(Cl)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001138483737 1034318859 /nfs/dbraw/zinc/31/88/59/1034318859.db2.gz SMXRIEHBZQIZJK-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCN1C ZINC001220883687 1034440166 /nfs/dbraw/zinc/44/01/66/1034440166.db2.gz WIKQBXLEDDIVGJ-HLIPFELVSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCN1C ZINC001220883687 1034440171 /nfs/dbraw/zinc/44/01/71/1034440171.db2.gz WIKQBXLEDDIVGJ-HLIPFELVSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCN1C ZINC001220883686 1034440267 /nfs/dbraw/zinc/44/02/67/1034440267.db2.gz WIKQBXLEDDIVGJ-FUHIMQAGSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCN1C ZINC001220883686 1034440274 /nfs/dbraw/zinc/44/02/74/1034440274.db2.gz WIKQBXLEDDIVGJ-FUHIMQAGSA-N 1 3 358.530 2.810 20 0 FFADHO CC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1)OC ZINC001226275794 1034607821 /nfs/dbraw/zinc/60/78/21/1034607821.db2.gz QGAZPKDMKKGOAZ-RCCFBDPRSA-N 1 3 353.551 2.693 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC(C)C ZINC001226613496 1034756306 /nfs/dbraw/zinc/75/63/06/1034756306.db2.gz JMIOGMJEIFFRGI-GUDVDZBRSA-N 1 3 353.551 2.550 20 0 FFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001226775621 1034832185 /nfs/dbraw/zinc/83/21/85/1034832185.db2.gz UUJVFUFHFAFRSU-JFIYKMOQSA-N 1 3 364.921 2.592 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)C1CCC1 ZINC001227150019 1034951431 /nfs/dbraw/zinc/95/14/31/1034951431.db2.gz JSVZDQKTLZIMIX-KURKYZTESA-N 1 3 353.551 2.549 20 0 FFADHO CCOC[C@@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227161855 1034956756 /nfs/dbraw/zinc/95/67/56/1034956756.db2.gz XTZOQUIERFAZEY-MRXNPFEDSA-N 1 3 351.535 2.675 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001221771908 1035055005 /nfs/dbraw/zinc/05/50/05/1035055005.db2.gz JMRVMRNUSJUOEL-WOJBJXKFSA-N 1 3 355.526 2.678 20 0 FFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)CC1 ZINC001221772830 1035056277 /nfs/dbraw/zinc/05/62/77/1035056277.db2.gz PDIHTZTVBYZDGK-TZIWHRDSSA-N 1 3 367.537 2.939 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC001221789012 1035070639 /nfs/dbraw/zinc/07/06/39/1035070639.db2.gz BOJNHZXJJBRZKF-UYAOXDASSA-N 1 3 357.542 2.969 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001221794812 1035076222 /nfs/dbraw/zinc/07/62/22/1035076222.db2.gz XYOUKDVIIZVOOL-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001221794812 1035076228 /nfs/dbraw/zinc/07/62/28/1035076228.db2.gz XYOUKDVIIZVOOL-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCc3ccc(Cl)cc3)C[C@H]21 ZINC001221920829 1035158089 /nfs/dbraw/zinc/15/80/89/1035158089.db2.gz YMYSQXJRAQAWGH-IEBWSBKVSA-N 1 3 363.933 2.757 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCc3ccc(Cl)cc3)C[C@H]21 ZINC001221920829 1035158095 /nfs/dbraw/zinc/15/80/95/1035158095.db2.gz YMYSQXJRAQAWGH-IEBWSBKVSA-N 1 3 363.933 2.757 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(-c4cncnc4)cc3)CC2)CC1 ZINC001140354369 1035451138 /nfs/dbraw/zinc/45/11/38/1035451138.db2.gz JJPZGGIIFWZXDI-UHFFFAOYSA-N 1 3 365.525 2.603 20 0 FFADHO c1cc(C[N@H+]2CCC3(C2)CCN(Cc2c[nH]c4ncncc24)CC3)co1 ZINC001232657561 1035916054 /nfs/dbraw/zinc/91/60/54/1035916054.db2.gz VQHVYXGATXPRDQ-UHFFFAOYSA-N 1 3 351.454 2.991 20 0 FFADHO c1cc(C[N@@H+]2CCC3(C2)CCN(Cc2c[nH]c4ncncc24)CC3)co1 ZINC001232657561 1035916057 /nfs/dbraw/zinc/91/60/57/1035916057.db2.gz VQHVYXGATXPRDQ-UHFFFAOYSA-N 1 3 351.454 2.991 20 0 FFADHO COc1cc(Cl)ccc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228377569 1036076625 /nfs/dbraw/zinc/07/66/25/1036076625.db2.gz YYBHNZZLFYDKNR-IAGOWNOFSA-N 1 3 367.921 2.817 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001228525627 1036159994 /nfs/dbraw/zinc/15/99/94/1036159994.db2.gz FIUYGRMUHHODHO-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001228525627 1036160000 /nfs/dbraw/zinc/16/00/00/1036160000.db2.gz FIUYGRMUHHODHO-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1)CC(C)(C)C ZINC001228624456 1036214047 /nfs/dbraw/zinc/21/40/47/1036214047.db2.gz YMUWSNPBSAJXFB-KZNAEPCWSA-N 1 3 353.551 2.550 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1C ZINC001229231027 1036566220 /nfs/dbraw/zinc/56/62/20/1036566220.db2.gz LPCNDEBHGHXORK-RTBURBONSA-N 1 3 361.530 2.862 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001229852029 1036934103 /nfs/dbraw/zinc/93/41/03/1036934103.db2.gz BOZGHQWVFMIIAC-QZTJIDSGSA-N 1 3 350.507 2.540 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001229852029 1036934119 /nfs/dbraw/zinc/93/41/19/1036934119.db2.gz BOZGHQWVFMIIAC-QZTJIDSGSA-N 1 3 350.507 2.540 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(F)c1 ZINC001229859885 1036942173 /nfs/dbraw/zinc/94/21/73/1036942173.db2.gz GWCJSIXQTOFMAW-QZTJIDSGSA-N 1 3 365.493 2.693 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC1CCOCC1 ZINC001229868762 1036946884 /nfs/dbraw/zinc/94/68/84/1036946884.db2.gz NELQGEURKRVSMY-WOJBJXKFSA-N 1 3 367.578 2.942 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001206974546 1037006182 /nfs/dbraw/zinc/00/61/82/1037006182.db2.gz HRUDNLTXPIRUOW-WSTZPKSXSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001206974546 1037006198 /nfs/dbraw/zinc/00/61/98/1037006198.db2.gz HRUDNLTXPIRUOW-WSTZPKSXSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1)OC ZINC001230243744 1037175226 /nfs/dbraw/zinc/17/52/26/1037175226.db2.gz URAKRUWUCWHASW-XUVXKRRUSA-N 1 3 361.530 2.804 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286269 1037196562 /nfs/dbraw/zinc/19/65/62/1037196562.db2.gz HTMBHZMSARUANK-AQNXPRMDSA-N 1 3 367.578 2.939 20 0 FFADHO CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286177 1037196608 /nfs/dbraw/zinc/19/66/08/1037196608.db2.gz DVMGTEJFKSDXIK-GUDVDZBRSA-N 1 3 353.551 2.550 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001230286414 1037198723 /nfs/dbraw/zinc/19/87/23/1037198723.db2.gz KZXDMWQGWNWKSK-QRVBRYPASA-N 1 3 362.518 2.620 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001207280748 1037309946 /nfs/dbraw/zinc/30/99/46/1037309946.db2.gz UXBFVZOJFWBWLC-WIYYLYMNSA-N 1 3 361.530 2.919 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001207280748 1037309968 /nfs/dbraw/zinc/30/99/68/1037309968.db2.gz UXBFVZOJFWBWLC-WIYYLYMNSA-N 1 3 361.530 2.919 20 0 FFADHO Cc1cc(N2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)ncn1 ZINC001207292207 1037321285 /nfs/dbraw/zinc/32/12/85/1037321285.db2.gz AIZBCGBNMAABJD-UHFFFAOYSA-N 1 3 365.525 2.819 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1c(C)cc(F)cc1Cl)C2 ZINC001235335921 1037488144 /nfs/dbraw/zinc/48/81/44/1037488144.db2.gz SNXOLPGXBXLFEV-FERZIJSQSA-N 1 3 366.864 2.618 20 0 FFADHO COc1cncc(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1C ZINC001235463820 1037567224 /nfs/dbraw/zinc/56/72/24/1037567224.db2.gz LMGYVGQACWESTD-UHFFFAOYSA-N 1 3 369.513 2.639 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001235488554 1037583395 /nfs/dbraw/zinc/58/33/95/1037583395.db2.gz UKCGUTKMNDPODP-HBMCJLEFSA-N 1 3 370.541 2.838 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001235488554 1037583404 /nfs/dbraw/zinc/58/34/04/1037583404.db2.gz UKCGUTKMNDPODP-HBMCJLEFSA-N 1 3 370.541 2.838 20 0 FFADHO [NH3+][C@H](Cc1ccccc1)CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001235599357 1037638435 /nfs/dbraw/zinc/63/84/35/1037638435.db2.gz YFYXXVATYLMMMW-KCZVDYSFSA-N 1 3 369.484 2.533 20 0 FFADHO CC1(C)[NH2+][C@@H](CCN2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)CO1 ZINC001235627844 1037651648 /nfs/dbraw/zinc/65/16/48/1037651648.db2.gz BYTHWUZCJVAQGQ-FPOVZHCZSA-N 1 3 361.505 2.981 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CN2CCC1CC2)CC(F)(F)F ZINC001207723365 1037677953 /nfs/dbraw/zinc/67/79/53/1037677953.db2.gz HYZMCRMZMSRCFY-ZIAGYGMSSA-N 1 3 365.440 2.764 20 0 FFADHO CCCCCCN1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001235691233 1037688250 /nfs/dbraw/zinc/68/82/50/1037688250.db2.gz HGAYCPJXXQMEJG-UHFFFAOYSA-N 1 3 358.574 2.790 20 0 FFADHO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC1(F)CC[NH2+]CC1 ZINC001235833999 1037777160 /nfs/dbraw/zinc/77/71/60/1037777160.db2.gz HBXQLOHSPSZGKI-BBWFWOEESA-N 1 3 353.526 2.874 20 0 FFADHO [NH3+][C@H]1CCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001236167840 1037963011 /nfs/dbraw/zinc/96/30/11/1037963011.db2.gz FKPPYGLMPGKUIR-NRFANRHFSA-N 1 3 350.510 2.542 20 0 FFADHO CCOC(=O)C1(C(C)C)CCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001236266285 1038009517 /nfs/dbraw/zinc/00/95/17/1038009517.db2.gz PBAMTCSMZWNRBM-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114278 1038049313 /nfs/dbraw/zinc/04/93/13/1038049313.db2.gz LUUFZOWFGAUILM-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc4c[nH]ccc-4n3)CC2)C1 ZINC001232012822 1038105075 /nfs/dbraw/zinc/10/50/75/1038105075.db2.gz SXAUTTYEGMHGMV-MRXNPFEDSA-N 1 3 370.497 2.802 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cc4c[nH]ccc-4n3)CC2)C1 ZINC001232012822 1038105082 /nfs/dbraw/zinc/10/50/82/1038105082.db2.gz SXAUTTYEGMHGMV-MRXNPFEDSA-N 1 3 370.497 2.802 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc4cnccc4[nH]3)CC2)C1 ZINC001232012822 1038105087 /nfs/dbraw/zinc/10/50/87/1038105087.db2.gz SXAUTTYEGMHGMV-MRXNPFEDSA-N 1 3 370.497 2.802 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cc4cnccc4[nH]3)CC2)C1 ZINC001232012822 1038105096 /nfs/dbraw/zinc/10/50/96/1038105096.db2.gz SXAUTTYEGMHGMV-MRXNPFEDSA-N 1 3 370.497 2.802 20 0 FFADHO COc1ccc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC001236663291 1038179650 /nfs/dbraw/zinc/17/96/50/1038179650.db2.gz ISFKEIWBJJZJIT-UHFFFAOYSA-N 1 3 353.466 2.779 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1C)N(C)C ZINC001208527647 1038385740 /nfs/dbraw/zinc/38/57/40/1038385740.db2.gz QLOYDNFPUVYDLX-OZOXKJRCSA-N 1 3 368.525 2.758 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C)N(C)C ZINC001208527647 1038385752 /nfs/dbraw/zinc/38/57/52/1038385752.db2.gz QLOYDNFPUVYDLX-OZOXKJRCSA-N 1 3 368.525 2.758 20 0 FFADHO C[C@H](CCc1ccc(Br)cc1)N1CCN(CCC[NH3+])CC1 ZINC001256220352 1038437807 /nfs/dbraw/zinc/43/78/07/1038437807.db2.gz KUFMLKFHAQIQEZ-OAHLLOKOSA-N 1 3 354.336 2.737 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C[C@@H]3CCC[N@@H+](C)C3)C[C@@H]12 ZINC001208616309 1038449838 /nfs/dbraw/zinc/44/98/38/1038449838.db2.gz YRMIMOUSIXZWOE-FCEUIQTBSA-N 1 3 355.526 2.593 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C[C@@H]3CCC[N@H+](C)C3)C[C@@H]12 ZINC001208616309 1038449843 /nfs/dbraw/zinc/44/98/43/1038449843.db2.gz YRMIMOUSIXZWOE-FCEUIQTBSA-N 1 3 355.526 2.593 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)Cc3ccccn3)cc2)CC1 ZINC001256399886 1038499107 /nfs/dbraw/zinc/49/91/07/1038499107.db2.gz YXIAOOAZCCMTFZ-IBGZPJMESA-N 1 3 352.526 2.940 20 0 FFADHO CN(C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001256444611 1038515400 /nfs/dbraw/zinc/51/54/00/1038515400.db2.gz IDTTXNQUWBEDDQ-BURNTYAHSA-N 1 3 370.541 2.633 20 0 FFADHO CN(C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001256444611 1038515405 /nfs/dbraw/zinc/51/54/05/1038515405.db2.gz IDTTXNQUWBEDDQ-BURNTYAHSA-N 1 3 370.541 2.633 20 0 FFADHO CCN1CCO[C@@H]2C[N@@H+]([C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001256545042 1038552182 /nfs/dbraw/zinc/55/21/82/1038552182.db2.gz BHNQUPJMDIOKJQ-JKLQHZFJSA-N 1 3 357.542 2.692 20 0 FFADHO CCN1CCO[C@@H]2C[N@H+]([C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001256545042 1038552194 /nfs/dbraw/zinc/55/21/94/1038552194.db2.gz BHNQUPJMDIOKJQ-JKLQHZFJSA-N 1 3 357.542 2.692 20 0 FFADHO C[N@H+](C1CCOCC1)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256592529 1038572641 /nfs/dbraw/zinc/57/26/41/1038572641.db2.gz GKCBJVPUCYNTCE-UHFFFAOYSA-N 1 3 372.557 2.621 20 0 FFADHO C[N@@H+](C1CCOCC1)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256592529 1038572642 /nfs/dbraw/zinc/57/26/42/1038572642.db2.gz GKCBJVPUCYNTCE-UHFFFAOYSA-N 1 3 372.557 2.621 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935438 1038594484 /nfs/dbraw/zinc/59/44/84/1038594484.db2.gz JKDHLFUCCCSGBD-UXHICEINSA-N 1 3 372.509 2.743 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935438 1038594487 /nfs/dbraw/zinc/59/44/87/1038594487.db2.gz JKDHLFUCCCSGBD-UXHICEINSA-N 1 3 372.509 2.743 20 0 FFADHO CCOC(=O)CCc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256681604 1038600511 /nfs/dbraw/zinc/60/05/11/1038600511.db2.gz YRMBHVRIZLCOPO-UHFFFAOYSA-N 1 3 374.525 2.915 20 0 FFADHO c1cn(Cc2ccccc2)nc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685190 1038601329 /nfs/dbraw/zinc/60/13/29/1038601329.db2.gz ZEQBSBQRWZETPL-UHFFFAOYSA-N 1 3 354.498 2.664 20 0 FFADHO C(CC1CCC2(CC1)OCCO2)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256684167 1038601498 /nfs/dbraw/zinc/60/14/98/1038601498.db2.gz NELUIXXRXFGWHM-UHFFFAOYSA-N 1 3 352.519 2.543 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CS2 ZINC001256688238 1038604391 /nfs/dbraw/zinc/60/43/91/1038604391.db2.gz USXVKMLWBRKEDU-LXPRWKDFSA-N 1 3 362.539 2.945 20 0 FFADHO CC(C)NC(=O)N[C@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208957565 1038607105 /nfs/dbraw/zinc/60/71/05/1038607105.db2.gz LTUFZMTWVHJECA-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)NC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208957565 1038607108 /nfs/dbraw/zinc/60/71/08/1038607108.db2.gz LTUFZMTWVHJECA-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO c1ccc(CN2CC[C@@H](C[NH+]3CCC(Oc4cnccn4)CC3)C2)cc1 ZINC001208958544 1038607587 /nfs/dbraw/zinc/60/75/87/1038607587.db2.gz PTRWZCPAPWDKRG-IBGZPJMESA-N 1 3 352.482 2.842 20 0 FFADHO FC(F)(F)COc1cc(CNC2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC001256852868 1038634714 /nfs/dbraw/zinc/63/47/14/1038634714.db2.gz JHNOXBORXKENDH-UHFFFAOYSA-N 1 3 367.375 2.571 20 0 FFADHO COC(=O)c1ccc(C2CN(C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001256865359 1038640123 /nfs/dbraw/zinc/64/01/23/1038640123.db2.gz ZXBHOXCFDZZXDG-UHFFFAOYSA-N 1 3 351.450 2.936 20 0 FFADHO CSc1ncc(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001278975087 1038652040 /nfs/dbraw/zinc/65/20/40/1038652040.db2.gz NPSKTFAQXUYTDE-CALCHBBNSA-N 1 3 357.527 2.871 20 0 FFADHO CSc1ncc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001278975087 1038652041 /nfs/dbraw/zinc/65/20/41/1038652041.db2.gz NPSKTFAQXUYTDE-CALCHBBNSA-N 1 3 357.527 2.871 20 0 FFADHO CC(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C3CC[NH+](C(C)C)CC3)C2)O1 ZINC001257216524 1038748083 /nfs/dbraw/zinc/74/80/83/1038748083.db2.gz MGGZXPIBRQWNNT-TZIWHRDSSA-N 1 3 365.562 2.645 20 0 FFADHO Cc1ccc(F)cc1C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001278609839 1038772824 /nfs/dbraw/zinc/77/28/24/1038772824.db2.gz NTFDTSCMFGQIEB-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO O=C1CCC2(CC[NH+](CCCN3CCCCC3)CC2)N1Cc1ccncc1 ZINC001209450111 1038875933 /nfs/dbraw/zinc/87/59/33/1038875933.db2.gz JDEALQFSPPOTSX-UHFFFAOYSA-N 1 3 370.541 2.915 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1c[nH]nc1C)CC2 ZINC001209555192 1038985541 /nfs/dbraw/zinc/98/55/41/1038985541.db2.gz WOGUCDYAVDQGLN-HXUWFJFHSA-N 1 3 369.513 2.616 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1c[nH]nc1C)CC2 ZINC001209555192 1038985558 /nfs/dbraw/zinc/98/55/58/1038985558.db2.gz WOGUCDYAVDQGLN-HXUWFJFHSA-N 1 3 369.513 2.616 20 0 FFADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2Cc1ccc(O)cc1C(F)(F)F ZINC001278413143 1039086114 /nfs/dbraw/zinc/08/61/14/1039086114.db2.gz VIDBHSIVZDSAOJ-IRXDYDNUSA-N 1 3 357.420 2.621 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001251411735 1039118128 /nfs/dbraw/zinc/11/81/28/1039118128.db2.gz HUKJSCQEKAANLL-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001251411735 1039118137 /nfs/dbraw/zinc/11/81/37/1039118137.db2.gz HUKJSCQEKAANLL-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001245984566 1039176818 /nfs/dbraw/zinc/17/68/18/1039176818.db2.gz QVRBULDNQULACI-IXDOHACOSA-N 1 3 367.493 2.896 20 0 FFADHO Cc1ccc(Cl)c(CC[NH2+]C[C@@H](O)[C@@H](N)Cc2ccccc2)c1F ZINC001246000530 1039184526 /nfs/dbraw/zinc/18/45/26/1039184526.db2.gz PXLPBFYFHCHSHA-ZWKOTPCHSA-N 1 3 350.865 2.851 20 0 FFADHO Cc1ccc(Cl)c(CCNC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1F ZINC001246000530 1039184532 /nfs/dbraw/zinc/18/45/32/1039184532.db2.gz PXLPBFYFHCHSHA-ZWKOTPCHSA-N 1 3 350.865 2.851 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001246035244 1039207932 /nfs/dbraw/zinc/20/79/32/1039207932.db2.gz OJDMMKCTKCCMKJ-LPHOPBHVSA-N 1 3 362.514 2.563 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001246046383 1039213682 /nfs/dbraw/zinc/21/36/82/1039213682.db2.gz PNDZZZLFHPDPII-FDFHNCONSA-N 1 3 354.494 2.599 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001246046383 1039213687 /nfs/dbraw/zinc/21/36/87/1039213687.db2.gz PNDZZZLFHPDPII-FDFHNCONSA-N 1 3 354.494 2.599 20 0 FFADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089667 1039240635 /nfs/dbraw/zinc/24/06/35/1039240635.db2.gz RRSCOVOMORUKAB-CIISACIHSA-N 1 3 350.812 2.591 20 0 FFADHO CC1(C)C[C@H]([NH2+][C@H]2Cc3ccc(I)cc3C2)CCN1 ZINC001246272448 1039293467 /nfs/dbraw/zinc/29/34/67/1039293467.db2.gz PRTYDBZJUWNNEJ-CABCVRRESA-N 1 3 370.278 2.879 20 0 FFADHO CC1(C)C[C@H](N[C@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246272448 1039293460 /nfs/dbraw/zinc/29/34/60/1039293460.db2.gz PRTYDBZJUWNNEJ-CABCVRRESA-N 1 3 370.278 2.879 20 0 FFADHO CCOC(=O)C1=C(N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCNC1 ZINC001246282586 1039295936 /nfs/dbraw/zinc/29/59/36/1039295936.db2.gz DYBPVAKJXQVJEA-SFHVURJKSA-N 1 3 371.525 2.830 20 0 FFADHO CCOC(=O)C1=C(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCNC1 ZINC001246282586 1039295950 /nfs/dbraw/zinc/29/59/50/1039295950.db2.gz DYBPVAKJXQVJEA-SFHVURJKSA-N 1 3 371.525 2.830 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CN1 ZINC001246387043 1039332931 /nfs/dbraw/zinc/33/29/31/1039332931.db2.gz ARCLESHJDHJTHY-PBHICJAKSA-N 1 3 370.946 2.560 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246408008 1039342388 /nfs/dbraw/zinc/34/23/88/1039342388.db2.gz BFOCLRSFQOPTCX-XAVQIYMTSA-N 1 3 368.562 2.703 20 0 FFADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246458824 1039362411 /nfs/dbraw/zinc/36/24/11/1039362411.db2.gz CHLMFWIDLNRYEE-YGALCCOOSA-N 1 3 356.510 2.917 20 0 FFADHO [NH3+]C[C@@]1(F)CCCCN(C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)C1 ZINC001246584666 1039405556 /nfs/dbraw/zinc/40/55/56/1039405556.db2.gz YFWDVXFFEIJRNY-VTHDOGFWSA-N 1 3 361.505 2.571 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCCC3(CCCC[NH2+]C3)CCC2)CN1 ZINC001246592793 1039408757 /nfs/dbraw/zinc/40/87/57/1039408757.db2.gz CSZMMRBUHXGZJZ-MSOLQXFVSA-N 1 3 365.562 2.695 20 0 FFADHO COCCC1([NH3+])CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001258553473 1039427258 /nfs/dbraw/zinc/42/72/58/1039427258.db2.gz MMHUYDCUQHWKCX-MRXNPFEDSA-N 1 3 369.550 2.994 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738717 1039456171 /nfs/dbraw/zinc/45/61/71/1039456171.db2.gz CHDMKWYFGPNOBJ-FUHIMQAGSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738717 1039456179 /nfs/dbraw/zinc/45/61/79/1039456179.db2.gz CHDMKWYFGPNOBJ-FUHIMQAGSA-N 1 3 370.541 2.843 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+]([C@H]2CCN[C@H](C)C2)C3)n1 ZINC001246753023 1039465041 /nfs/dbraw/zinc/46/50/41/1039465041.db2.gz NLNLJTXGBNNPFD-FVTFTPSCSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+]([C@H]2CCN[C@H](C)C2)C3)n1 ZINC001246753023 1039465045 /nfs/dbraw/zinc/46/50/45/1039465045.db2.gz NLNLJTXGBNNPFD-FVTFTPSCSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@H]2CC[NH2+][C@H](C)C2)C3)n1 ZINC001246753023 1039465050 /nfs/dbraw/zinc/46/50/50/1039465050.db2.gz NLNLJTXGBNNPFD-FVTFTPSCSA-N 1 3 373.541 2.918 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@H+](C)[C@@H]2CCN[C@H](C)C2)CC1 ZINC001246781969 1039479090 /nfs/dbraw/zinc/47/90/90/1039479090.db2.gz ZGGMXGCSOQTFJT-SJLPKXTDSA-N 1 3 361.530 2.741 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@@H+](C)[C@@H]2CCN[C@H](C)C2)CC1 ZINC001246781969 1039479092 /nfs/dbraw/zinc/47/90/92/1039479092.db2.gz ZGGMXGCSOQTFJT-SJLPKXTDSA-N 1 3 361.530 2.741 20 0 FFADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258660111 1039479687 /nfs/dbraw/zinc/47/96/87/1039479687.db2.gz XRKCBVQTHGVXOG-FQEVSTJZSA-N 1 3 368.525 2.922 20 0 FFADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258660111 1039479693 /nfs/dbraw/zinc/47/96/93/1039479693.db2.gz XRKCBVQTHGVXOG-FQEVSTJZSA-N 1 3 368.525 2.922 20 0 FFADHO COC(=O)[C@H]1CN([C@H](C)CCc2ccc3cc(OC)ccc3c2)CC[C@@H]1[NH3+] ZINC001246947154 1039544662 /nfs/dbraw/zinc/54/46/62/1039544662.db2.gz JACKZZUKECDXMI-NQERJWCQSA-N 1 3 370.493 2.992 20 0 FFADHO CCOC(=O)[C@H]1CN([C@H](C)Cc2c(F)cccc2Cl)CCC12C[NH2+]C2 ZINC001247003788 1039572399 /nfs/dbraw/zinc/57/23/99/1039572399.db2.gz ABOCWXADGWYYCJ-UKRRQHHQSA-N 1 3 368.880 2.885 20 0 FFADHO O[C@@H](COCc1ccco1)C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001252640126 1039623648 /nfs/dbraw/zinc/62/36/48/1039623648.db2.gz LLMRDGGPWXZIOP-OAQYLSRUSA-N 1 3 370.493 2.680 20 0 FFADHO c1ccc(COc2ccccc2-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247831469 1039978785 /nfs/dbraw/zinc/97/87/85/1039978785.db2.gz SUUZMPSIWUAEIX-KRWDZBQOSA-N 1 3 362.433 2.592 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CN(C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001253195524 1040038116 /nfs/dbraw/zinc/03/81/16/1040038116.db2.gz QCEUJKLXOUKJGG-ABHNRTSZSA-N 1 3 371.566 2.799 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2cc(OC(F)(F)F)ccc12 ZINC001253207992 1040044645 /nfs/dbraw/zinc/04/46/45/1040044645.db2.gz MNFDFGIARVIDAC-AWEZNQCLSA-N 1 3 373.419 2.901 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001211309606 1040076211 /nfs/dbraw/zinc/07/62/11/1040076211.db2.gz GYJMOAQXAIBGHN-YLJYHZDGSA-N 1 3 359.514 2.508 20 0 FFADHO Cc1cc(CN[C@]23CC[C@]([NH2+]Cc4cncc(C)n4)(C2)CCC3)n(C)n1 ZINC001278498102 1040112768 /nfs/dbraw/zinc/11/27/68/1040112768.db2.gz QJWXDTMTPXMRTQ-VQTJNVASSA-N 1 3 354.502 2.552 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001253405536 1040156350 /nfs/dbraw/zinc/15/63/50/1040156350.db2.gz FWGXCRNDFBAHCW-INIZCTEOSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405997 1040157431 /nfs/dbraw/zinc/15/74/31/1040157431.db2.gz WJGRSVGRQJYXPS-BBWFWOEESA-N 1 3 371.566 2.608 20 0 FFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405997 1040157438 /nfs/dbraw/zinc/15/74/38/1040157438.db2.gz WJGRSVGRQJYXPS-BBWFWOEESA-N 1 3 371.566 2.608 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001248464243 1040285633 /nfs/dbraw/zinc/28/56/33/1040285633.db2.gz NASVSAGWOOCKEL-QGZVFWFLSA-N 1 3 350.551 2.624 20 0 FFADHO NCCC[NH2+]CCCCn1cc(COc2c(Cl)cccc2Cl)nn1 ZINC001254162803 1040591668 /nfs/dbraw/zinc/59/16/68/1040591668.db2.gz HFCLJKJNPWDHAK-UHFFFAOYSA-N 1 3 372.300 2.883 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@H]3CCC[N@@H+](C)CC3)C[C@H]12 ZINC001254520921 1040769622 /nfs/dbraw/zinc/76/96/22/1040769622.db2.gz GCKSPFFJXHTRDM-FKBYEOEOSA-N 1 3 355.526 2.735 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@H]3CCC[N@H+](C)CC3)C[C@H]12 ZINC001254520921 1040769632 /nfs/dbraw/zinc/76/96/32/1040769632.db2.gz GCKSPFFJXHTRDM-FKBYEOEOSA-N 1 3 355.526 2.735 20 0 FFADHO C[N@H+](CCCN1CCCC1)[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254703475 1040893060 /nfs/dbraw/zinc/89/30/60/1040893060.db2.gz QRCMBEJXIYHCEG-MRXNPFEDSA-N 1 3 369.575 2.899 20 0 FFADHO C[N@@H+](CCCN1CCCC1)[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254703475 1040893069 /nfs/dbraw/zinc/89/30/69/1040893069.db2.gz QRCMBEJXIYHCEG-MRXNPFEDSA-N 1 3 369.575 2.899 20 0 FFADHO CCC[N@H+](CCCN)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254714212 1040901803 /nfs/dbraw/zinc/90/18/03/1040901803.db2.gz BHGKIGNWKKCUAL-UHFFFAOYSA-N 1 3 369.550 2.996 20 0 FFADHO CCC[N@@H+](CCCN)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254714212 1040901815 /nfs/dbraw/zinc/90/18/15/1040901815.db2.gz BHGKIGNWKKCUAL-UHFFFAOYSA-N 1 3 369.550 2.996 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921661 1041071816 /nfs/dbraw/zinc/07/18/16/1041071816.db2.gz GAASQQFKQNBLBT-WOJBJXKFSA-N 1 3 365.562 2.648 20 0 FFADHO c1cc(CN2CCOCC3(CC[NH+](C4CCSCC4)CC3)C2)ccn1 ZINC001255093474 1041136726 /nfs/dbraw/zinc/13/67/26/1041136726.db2.gz TZFKYJRBXBWMFK-UHFFFAOYSA-N 1 3 361.555 2.892 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC001261423192 1041228242 /nfs/dbraw/zinc/22/82/42/1041228242.db2.gz QXYRJGPAVDLALB-OIISXLGYSA-N 1 3 369.431 2.946 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCN([C@@H]3CCSC3)CC2)C1 ZINC001255296378 1041258990 /nfs/dbraw/zinc/25/89/90/1041258990.db2.gz SSFXWGNGAAJNRV-GOEBONIOSA-N 1 3 355.548 2.555 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CCN([C@@H]3CCSC3)CC2)C1 ZINC001255296378 1041259004 /nfs/dbraw/zinc/25/90/04/1041259004.db2.gz SSFXWGNGAAJNRV-GOEBONIOSA-N 1 3 355.548 2.555 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])C3CCCCC3)c(C)c2)CC1 ZINC001261502514 1041276560 /nfs/dbraw/zinc/27/65/60/1041276560.db2.gz OZSWOKRJOVCQQV-FQEVSTJZSA-N 1 3 358.530 2.983 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255396948 1041320418 /nfs/dbraw/zinc/32/04/18/1041320418.db2.gz MNSBHLJTHKPKRJ-ANULTFPQSA-N 1 3 374.525 2.723 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255396948 1041320424 /nfs/dbraw/zinc/32/04/24/1041320424.db2.gz MNSBHLJTHKPKRJ-ANULTFPQSA-N 1 3 374.525 2.723 20 0 FFADHO CC(C)(O)CCN1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255410455 1041328864 /nfs/dbraw/zinc/32/88/64/1041328864.db2.gz XIJABKOMRQGLPF-OAQYLSRUSA-N 1 3 359.558 2.820 20 0 FFADHO CC(C)(O)CCN1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255410455 1041328873 /nfs/dbraw/zinc/32/88/73/1041328873.db2.gz XIJABKOMRQGLPF-OAQYLSRUSA-N 1 3 359.558 2.820 20 0 FFADHO COc1ccc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc2c1 ZINC001261774100 1041409599 /nfs/dbraw/zinc/40/95/99/1041409599.db2.gz RVVGZGXJDOBMSR-INIZCTEOSA-N 1 3 357.498 2.850 20 0 FFADHO COc1ccc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc2c1 ZINC001261774100 1041409604 /nfs/dbraw/zinc/40/96/04/1041409604.db2.gz RVVGZGXJDOBMSR-INIZCTEOSA-N 1 3 357.498 2.850 20 0 FFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001214855727 1041595680 /nfs/dbraw/zinc/59/56/80/1041595680.db2.gz MBNDZTRCNOTMPW-DUXKGJEZSA-N 1 3 357.542 2.704 20 0 FFADHO Cc1ccccc1[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001262483249 1041700099 /nfs/dbraw/zinc/70/00/99/1041700099.db2.gz ZTDRTHOHFZNZDE-MTQWCTHYSA-N 1 3 355.526 2.931 20 0 FFADHO Cc1cccc([C@@H](O)C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001262569976 1041728217 /nfs/dbraw/zinc/72/82/17/1041728217.db2.gz JZGBJAUFAQOYPI-NRFANRHFSA-N 1 3 354.494 2.645 20 0 FFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001215474468 1041798251 /nfs/dbraw/zinc/79/82/51/1041798251.db2.gz TXIBRBWECUFJDA-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ns2)C1)[NH+](CC)CC ZINC001215516718 1041811811 /nfs/dbraw/zinc/81/18/11/1041811811.db2.gz RVZOLBUDCNUPGA-KBRIMQKVSA-N 1 3 352.548 2.508 20 0 FFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1 ZINC001215536182 1041817867 /nfs/dbraw/zinc/81/78/67/1041817867.db2.gz LCTMTOHXXUXWOO-SVFBPWRDSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC001215558691 1041826747 /nfs/dbraw/zinc/82/67/47/1041826747.db2.gz YMPZHWJHSDBCTD-RDTXWAMCSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NCc1ccc(F)cc1F ZINC001215558158 1041827444 /nfs/dbraw/zinc/82/74/44/1041827444.db2.gz MIPPZPSDPNKABQ-RDTXWAMCSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NCc1ccc(F)cc1F ZINC001215558158 1041827448 /nfs/dbraw/zinc/82/74/48/1041827448.db2.gz MIPPZPSDPNKABQ-RDTXWAMCSA-N 1 3 367.484 2.879 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)cc1 ZINC001215563417 1041828551 /nfs/dbraw/zinc/82/85/51/1041828551.db2.gz FLGPPMRRAYPLSP-UYAOXDASSA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCOc2ccccc2)C1)N(C)C ZINC001215571176 1041830442 /nfs/dbraw/zinc/83/04/42/1041830442.db2.gz COYAJZXRYMRZGF-RLLQIKCJSA-N 1 3 361.530 2.622 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(OCC)C2)C1 ZINC001215973167 1041920674 /nfs/dbraw/zinc/92/06/74/1041920674.db2.gz VSZNRMPHDNPLTH-YNIZLOQISA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001215994302 1041926899 /nfs/dbraw/zinc/92/68/99/1041926899.db2.gz ZOXIPWQPDMOTQU-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](CCOC)c2ccccc2)C1 ZINC001215999063 1041927757 /nfs/dbraw/zinc/92/77/57/1041927757.db2.gz NKSTVPKSYXOINR-YZGWKJHDSA-N 1 3 361.530 2.543 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001216214072 1041978601 /nfs/dbraw/zinc/97/86/01/1041978601.db2.gz VXRAUJLLAFCQIZ-HBUWYVDXSA-N 1 3 353.457 2.804 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001216214072 1041978606 /nfs/dbraw/zinc/97/86/06/1041978606.db2.gz VXRAUJLLAFCQIZ-HBUWYVDXSA-N 1 3 353.457 2.804 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H](NCc2ccccn2)C1 ZINC001216348227 1042005486 /nfs/dbraw/zinc/00/54/86/1042005486.db2.gz ITCSAJMRPIXNTN-UYAOXDASSA-N 1 3 360.546 2.920 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001216510878 1042044472 /nfs/dbraw/zinc/04/44/72/1042044472.db2.gz BVCORRDBVLQBPD-UPRAQXHNSA-N 1 3 365.468 2.730 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC2CC2)C1 ZINC001216511423 1042044889 /nfs/dbraw/zinc/04/48/89/1042044889.db2.gz RSVRKIKXOBPWPP-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cc21 ZINC001263113621 1042110803 /nfs/dbraw/zinc/11/08/03/1042110803.db2.gz OVUHDWWNZDHGHQ-QGZVFWFLSA-N 1 3 353.470 2.567 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001216829489 1042138334 /nfs/dbraw/zinc/13/83/34/1042138334.db2.gz YNMMDPZMNYAANZ-DNVCBOLYSA-N 1 3 365.468 2.777 20 0 FFADHO CCC1([NH+]2CCCCC2)CCN(C(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001263181572 1042154098 /nfs/dbraw/zinc/15/40/98/1042154098.db2.gz PXOGNUWNXDLTHM-INIZCTEOSA-N 1 3 359.518 2.547 20 0 FFADHO COc1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380282283 1042324197 /nfs/dbraw/zinc/32/41/97/1042324197.db2.gz PTFVXCOANMIJCR-VQTJNVASSA-N 1 3 370.493 2.547 20 0 FFADHO COc1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380282283 1042324204 /nfs/dbraw/zinc/32/42/04/1042324204.db2.gz PTFVXCOANMIJCR-VQTJNVASSA-N 1 3 370.493 2.547 20 0 FFADHO Cc1cccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001263919631 1042532385 /nfs/dbraw/zinc/53/23/85/1042532385.db2.gz ZKJYQLLQULFGPG-ZWKOTPCHSA-N 1 3 360.546 2.742 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001264208253 1042657307 /nfs/dbraw/zinc/65/73/07/1042657307.db2.gz SIKZBZXAMJLHOC-XUVXKRRUSA-N 1 3 361.530 2.720 20 0 FFADHO COC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001264566731 1042719625 /nfs/dbraw/zinc/71/96/25/1042719625.db2.gz FYOMIBAUYNCNEC-HLIPFELVSA-N 1 3 361.530 2.613 20 0 FFADHO c1cn2cc(CN[C@@]34CC[C@@]([NH2+]Cc5cn[nH]c5)(C3)CCC4)ccc2n1 ZINC001279123575 1042908951 /nfs/dbraw/zinc/90/89/51/1042908951.db2.gz RLJVYDAYCQLZMF-VQTJNVASSA-N 1 3 350.470 2.782 20 0 FFADHO COc1c(F)ccc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1F ZINC001279143259 1042917603 /nfs/dbraw/zinc/91/76/03/1042917603.db2.gz QOYMXKGIAULPCJ-FQEVSTJZSA-N 1 3 367.484 2.823 20 0 FFADHO COc1cc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)ccn1 ZINC001279292882 1042987637 /nfs/dbraw/zinc/98/76/37/1042987637.db2.gz YFLTXDPRYXLIKB-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO COc1cc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)ccn1 ZINC001279292882 1042987639 /nfs/dbraw/zinc/98/76/39/1042987639.db2.gz YFLTXDPRYXLIKB-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2cnccc2C)CC3)n(C)n1 ZINC001279355460 1043022961 /nfs/dbraw/zinc/02/29/61/1043022961.db2.gz QYPGWJUGFUXVBT-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccn4ccnc4c3)CC2)C1 ZINC001279356678 1043023811 /nfs/dbraw/zinc/02/38/11/1043023811.db2.gz CUHVETFSXZUPAI-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccn4ccnc4c3)CC2)C1 ZINC001279356678 1043023813 /nfs/dbraw/zinc/02/38/13/1043023813.db2.gz CUHVETFSXZUPAI-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO COc1cc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cc(F)c1F ZINC001279367242 1043031386 /nfs/dbraw/zinc/03/13/86/1043031386.db2.gz WNBHWILYPQDVPX-HXUWFJFHSA-N 1 3 367.484 2.823 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3ccccc3-c3ccncc3)C2)C1 ZINC001279386512 1043042471 /nfs/dbraw/zinc/04/24/71/1043042471.db2.gz MNYFEGZRNYCTJD-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CN(C)CC[N@H+]1CCC2(CN(Cc3ccccc3-c3ccncc3)C2)C1 ZINC001279386512 1043042474 /nfs/dbraw/zinc/04/24/74/1043042474.db2.gz MNYFEGZRNYCTJD-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(F)ccc(F)c3F)C[C@H]2CC1 ZINC001279432354 1043106093 /nfs/dbraw/zinc/10/60/93/1043106093.db2.gz DKCTYZDSQNOHSH-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(F)ccc(F)c3F)C[C@H]2CC1 ZINC001279432354 1043106096 /nfs/dbraw/zinc/10/60/96/1043106096.db2.gz DKCTYZDSQNOHSH-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc4c[nH]nc4c3)(C1)CCC2 ZINC001279440651 1043114214 /nfs/dbraw/zinc/11/42/14/1043114214.db2.gz IWXFCIPZZXBJNZ-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cccc(C)c2OC(C)C)CCC12C[NH2+]C2 ZINC001237431095 1043156856 /nfs/dbraw/zinc/15/68/56/1043156856.db2.gz MZJYUJVILCXHTB-SFHVURJKSA-N 1 3 360.498 2.757 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](CC2(C)CCOCC2)CC3)n(C)n1 ZINC001279475939 1043159837 /nfs/dbraw/zinc/15/98/37/1043159837.db2.gz DHUKWRYOZLXXIG-UHFFFAOYSA-N 1 3 360.546 2.833 20 0 FFADHO C[NH+](C)CCN1CC2(CN(CCCc3cccc(Br)c3)C2)C1 ZINC001278116312 1043250687 /nfs/dbraw/zinc/25/06/87/1043250687.db2.gz JWPMVJFVKDQULM-UHFFFAOYSA-N 1 3 366.347 2.561 20 0 FFADHO CCc1[nH]ncc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001237649467 1043292797 /nfs/dbraw/zinc/29/27/97/1043292797.db2.gz RHKZFCPXKLQHOF-IRLDBZIGSA-N 1 3 372.557 2.933 20 0 FFADHO CCc1[nH]ncc1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001237649467 1043292800 /nfs/dbraw/zinc/29/28/00/1043292800.db2.gz RHKZFCPXKLQHOF-IRLDBZIGSA-N 1 3 372.557 2.933 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1nc2ccccc2[nH]1 ZINC001279592546 1043306484 /nfs/dbraw/zinc/30/64/84/1043306484.db2.gz YWIXKNKHZOGCEL-OALUTQOASA-N 1 3 355.530 2.799 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1nc2ccccc2[nH]1 ZINC001279592546 1043306492 /nfs/dbraw/zinc/30/64/92/1043306492.db2.gz YWIXKNKHZOGCEL-OALUTQOASA-N 1 3 355.530 2.799 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc4c(c3)COC4)(C1)CCC2 ZINC001279644633 1043391127 /nfs/dbraw/zinc/39/11/27/1043391127.db2.gz IDNSKKUWMIIEET-RTWAWAEBSA-N 1 3 360.498 2.862 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3ccsc3Cl)C[C@H]2CC1 ZINC001279691419 1043477509 /nfs/dbraw/zinc/47/75/09/1043477509.db2.gz LHBHNIMTDCFAHK-OKILXGFUSA-N 1 3 355.935 2.634 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3ccsc3Cl)C[C@H]2CC1 ZINC001279691419 1043477513 /nfs/dbraw/zinc/47/75/13/1043477513.db2.gz LHBHNIMTDCFAHK-OKILXGFUSA-N 1 3 355.935 2.634 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC[C@]2(CCCN(C[C@H]3COCCO3)C2)C1 ZINC001280028590 1044104097 /nfs/dbraw/zinc/10/40/97/1044104097.db2.gz NBACEPZXPIWVPB-HKUYNNGSSA-N 1 3 365.543 2.545 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC[C@]2(CCCN(C[C@H]3COCCO3)C2)C1 ZINC001280028590 1044104102 /nfs/dbraw/zinc/10/41/02/1044104102.db2.gz NBACEPZXPIWVPB-HKUYNNGSSA-N 1 3 365.543 2.545 20 0 FFADHO CCN(C(=O)[C@H]1CCSC12CN(CCC1CC[NH+](C)CC1)C2)C(C)C ZINC001280142329 1044290369 /nfs/dbraw/zinc/29/03/69/1044290369.db2.gz VHLKYQZNEAIFOZ-GOSISDBHSA-N 1 3 367.603 2.783 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(CCc1cccc(C)c1)C2 ZINC001280148482 1044303404 /nfs/dbraw/zinc/30/34/04/1044303404.db2.gz IERVLHNAQXFOFF-FQEVSTJZSA-N 1 3 357.542 2.660 20 0 FFADHO CC[NH+](CC)CCCn1c(C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001313712649 1044409160 /nfs/dbraw/zinc/40/91/60/1044409160.db2.gz VALNEFSARXVBRM-UHFFFAOYSA-N 1 3 364.582 2.877 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@@H]3C(=O)Nc3cn[nH]c3)CC2)CCCC1 ZINC001280237586 1044449293 /nfs/dbraw/zinc/44/92/93/1044449293.db2.gz PPXADXSXPRIFTJ-QGZVFWFLSA-N 1 3 359.518 2.572 20 0 FFADHO CN1CCN(c2ccc(-c3ccccc3CN3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001240854338 1044452367 /nfs/dbraw/zinc/45/23/67/1044452367.db2.gz HJKQJHRFTJCBAG-FQEVSTJZSA-N 1 3 350.510 2.638 20 0 FFADHO CCC(CC)CN1CCc2cc(C(=O)N3CCC([NH+](C)C)CC3)[nH]c2C1 ZINC001280255978 1044477028 /nfs/dbraw/zinc/47/70/28/1044477028.db2.gz KBUCBVYXARVIET-UHFFFAOYSA-N 1 3 360.546 2.975 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCc2ccccc2)C1 ZINC001316703787 1044581358 /nfs/dbraw/zinc/58/13/58/1044581358.db2.gz HUMYSXLJMJDXJV-DYXWJJEUSA-N 1 3 357.542 2.788 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC001318703490 1044821091 /nfs/dbraw/zinc/82/10/91/1044821091.db2.gz YQOHHDCBEGJYLQ-VQTJNVASSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2CCN(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC001319021330 1044987822 /nfs/dbraw/zinc/98/78/22/1044987822.db2.gz XYYLYSOBPDTLFQ-VQIMIIECSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2CCN(Cc3ccccc3F)CC2)CC[N@H+]1C ZINC001319021330 1044987838 /nfs/dbraw/zinc/98/78/38/1044987838.db2.gz XYYLYSOBPDTLFQ-VQIMIIECSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1ccc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c(Cl)c1 ZINC001317012990 1045049799 /nfs/dbraw/zinc/04/97/99/1045049799.db2.gz MEEBNQWMFWKISO-BJZITVGISA-N 1 3 363.933 2.973 20 0 FFADHO Cc1ccc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c(Cl)c1 ZINC001317012990 1045049809 /nfs/dbraw/zinc/04/98/09/1045049809.db2.gz MEEBNQWMFWKISO-BJZITVGISA-N 1 3 363.933 2.973 20 0 FFADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)C1(C(=O)OC)CCC1 ZINC001325036713 1046348195 /nfs/dbraw/zinc/34/81/95/1046348195.db2.gz IFIKJIYODZUJRO-HXUWFJFHSA-N 1 3 373.541 2.646 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccco1 ZINC001325323293 1046469060 /nfs/dbraw/zinc/46/90/60/1046469060.db2.gz FGGAERVINFTRHA-SJORKVTESA-N 1 3 362.518 2.884 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(Cl)c1F ZINC001328585717 1048367810 /nfs/dbraw/zinc/36/78/10/1048367810.db2.gz KKICKJZLUQJBHX-ZDUSSCGKSA-N 1 3 358.889 2.550 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(Cl)c1F ZINC001328585717 1048367816 /nfs/dbraw/zinc/36/78/16/1048367816.db2.gz KKICKJZLUQJBHX-ZDUSSCGKSA-N 1 3 358.889 2.550 20 0 FFADHO COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)N2CCCC2)c1 ZINC001328592375 1048370936 /nfs/dbraw/zinc/37/09/36/1048370936.db2.gz SDDYRRLVHDYFKG-UXHICEINSA-N 1 3 359.514 2.856 20 0 FFADHO CCOc1ccc(CN(C)C(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001332423821 1048389778 /nfs/dbraw/zinc/38/97/78/1048389778.db2.gz GOGBLNDPXWXBQF-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC001291654612 1048787390 /nfs/dbraw/zinc/78/73/90/1048787390.db2.gz UHSPZQJHYWTHHA-UHFFFAOYSA-N 1 3 368.481 2.665 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCC3(N4CCSCC4)CCCC3)C[N@@H+]2C1 ZINC001540956928 1071036551 /nfs/dbraw/zinc/03/65/51/1071036551.db2.gz WADWPDXZQSKXIM-KURKYZTESA-N 1 3 365.587 2.585 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCC3(N4CCSCC4)CCCC3)C[N@H+]2C1 ZINC001540956928 1071036558 /nfs/dbraw/zinc/03/65/58/1071036558.db2.gz WADWPDXZQSKXIM-KURKYZTESA-N 1 3 365.587 2.585 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCN(C)C1 ZINC001294199340 1049706640 /nfs/dbraw/zinc/70/66/40/1049706640.db2.gz UDEGZWFVPYCYBP-PMACEKPBSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCN(C)C1 ZINC001294199340 1049706651 /nfs/dbraw/zinc/70/66/51/1049706651.db2.gz UDEGZWFVPYCYBP-PMACEKPBSA-N 1 3 355.526 2.841 20 0 FFADHO CCC[N@H+](CC)CCn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001294515412 1049762868 /nfs/dbraw/zinc/76/28/68/1049762868.db2.gz GPDIOBVXOPMMAK-UHFFFAOYSA-N 1 3 362.566 2.665 20 0 FFADHO CCC[N@@H+](CC)CCn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001294515412 1049762873 /nfs/dbraw/zinc/76/28/73/1049762873.db2.gz GPDIOBVXOPMMAK-UHFFFAOYSA-N 1 3 362.566 2.665 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ncoc1C1CC[NH2+]CC1 ZINC001341615499 1050244131 /nfs/dbraw/zinc/24/41/31/1050244131.db2.gz UJGIHUJLNUNPLW-GOSISDBHSA-N 1 3 368.481 2.536 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)c2)CC1 ZINC001341803521 1050416060 /nfs/dbraw/zinc/41/60/60/1050416060.db2.gz XOPLUPGSLVPIQJ-NJYVYQBISA-N 1 3 357.542 2.727 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCNC4)C2)CC1 ZINC001340061726 1050469697 /nfs/dbraw/zinc/46/96/97/1050469697.db2.gz KSMYLBKPVCQZCZ-SFHVURJKSA-N 1 3 371.525 2.753 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2)c1ccsc1 ZINC001340170351 1050574641 /nfs/dbraw/zinc/57/46/41/1050574641.db2.gz YAJJOEMNLBLYND-VIHIWDAPSA-N 1 3 365.543 2.534 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001341226500 1051586633 /nfs/dbraw/zinc/58/66/33/1051586633.db2.gz RMQQEBCFKPFPCU-LNLFQRSKSA-N 1 3 372.561 2.560 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001341226500 1051586637 /nfs/dbraw/zinc/58/66/37/1051586637.db2.gz RMQQEBCFKPFPCU-LNLFQRSKSA-N 1 3 372.561 2.560 20 0 FFADHO CC(C)([NH3+])c1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC001343144771 1051766996 /nfs/dbraw/zinc/76/69/96/1051766996.db2.gz YZKFDXSFSQJHGY-ZIAGYGMSSA-N 1 3 360.376 2.803 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2cc3n(n2)CCC[C@H]3[NH3+])N2CCCC2)cc1 ZINC001343407790 1052211910 /nfs/dbraw/zinc/21/19/10/1052211910.db2.gz LYUCTBUFQFXDQF-YLJYHZDGSA-N 1 3 367.497 2.552 20 0 FFADHO C[C@@H]1C[C@H](OC(=O)COC2CC[NH+](C)CC2)CN(Cc2ccccc2)C1 ZINC001343735176 1052395181 /nfs/dbraw/zinc/39/51/81/1052395181.db2.gz DYTHYIJBPTWGEN-XLIONFOSSA-N 1 3 360.498 2.551 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1(F)F ZINC001308592970 1052474112 /nfs/dbraw/zinc/47/41/12/1052474112.db2.gz XORSTCXCONLBRA-ROUUACIJSA-N 1 3 366.452 2.885 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1(F)F ZINC001308592970 1052474117 /nfs/dbraw/zinc/47/41/17/1052474117.db2.gz XORSTCXCONLBRA-ROUUACIJSA-N 1 3 366.452 2.885 20 0 FFADHO COCCn1c(C)c(C)n(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001335251162 1053269224 /nfs/dbraw/zinc/26/92/24/1053269224.db2.gz ACCQRWAVDKYDDJ-RCCFBDPRSA-N 1 3 366.575 2.902 20 0 FFADHO CC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC001335393099 1053334136 /nfs/dbraw/zinc/33/41/36/1053334136.db2.gz CKIWAQXEUUNMDW-CYBMUJFWSA-N 1 3 354.292 2.709 20 0 FFADHO CC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC001335393099 1053334147 /nfs/dbraw/zinc/33/41/47/1053334147.db2.gz CKIWAQXEUUNMDW-CYBMUJFWSA-N 1 3 354.292 2.709 20 0 FFADHO CCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC001335393099 1053334157 /nfs/dbraw/zinc/33/41/57/1053334157.db2.gz CKIWAQXEUUNMDW-CYBMUJFWSA-N 1 3 354.292 2.709 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[C@]12CC[NH2+]C2 ZINC001335500080 1053401819 /nfs/dbraw/zinc/40/18/19/1053401819.db2.gz KNUFPGXXLAAYIV-PZJWPPBQSA-N 1 3 356.514 2.751 20 0 FFADHO CC(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001347367686 1053899191 /nfs/dbraw/zinc/89/91/91/1053899191.db2.gz MCLVPVPNOUJTER-SFHVURJKSA-N 1 3 362.566 2.664 20 0 FFADHO CC(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001347367686 1053899203 /nfs/dbraw/zinc/89/92/03/1053899203.db2.gz MCLVPVPNOUJTER-SFHVURJKSA-N 1 3 362.566 2.664 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C[C@H](C)O1 ZINC001336739708 1054181615 /nfs/dbraw/zinc/18/16/15/1054181615.db2.gz QIPSPJJIEDRAFK-BBWFWOEESA-N 1 3 370.921 2.559 20 0 FFADHO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@](C)(O)c1ccccc1 ZINC001336819222 1054255516 /nfs/dbraw/zinc/25/55/16/1054255516.db2.gz FGINNFSJEMUBQQ-VLCRHTCISA-N 1 3 354.494 2.509 20 0 FFADHO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@](C)(O)c1ccccc1 ZINC001336819222 1054255526 /nfs/dbraw/zinc/25/55/26/1054255526.db2.gz FGINNFSJEMUBQQ-VLCRHTCISA-N 1 3 354.494 2.509 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001336988780 1054392785 /nfs/dbraw/zinc/39/27/85/1054392785.db2.gz FOMSXTUPYKWGMI-WOJBJXKFSA-N 1 3 368.481 2.510 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCCN1C ZINC001348129516 1054677348 /nfs/dbraw/zinc/67/73/48/1054677348.db2.gz WMLAESQIYPKEID-WOJBJXKFSA-N 1 3 373.545 2.562 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCCN1C ZINC001348129516 1054677349 /nfs/dbraw/zinc/67/73/49/1054677349.db2.gz WMLAESQIYPKEID-WOJBJXKFSA-N 1 3 373.545 2.562 20 0 FFADHO COc1nc(Cl)c(CNCC2(c3ccccc3)CC[NH+](C)CC2)n1C ZINC001351783023 1054997262 /nfs/dbraw/zinc/99/72/62/1054997262.db2.gz KWYHITZQYBSYFT-UHFFFAOYSA-N 1 3 362.905 2.835 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001352172150 1055242620 /nfs/dbraw/zinc/24/26/20/1055242620.db2.gz VOWBGYRQFRIBAI-JTJHWIPRSA-N 1 3 373.541 2.923 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001543802705 1071548631 /nfs/dbraw/zinc/54/86/31/1071548631.db2.gz IKAMKSSRKORENT-FQEVSTJZSA-N 1 3 372.557 2.885 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001543802705 1071548642 /nfs/dbraw/zinc/54/86/42/1071548642.db2.gz IKAMKSSRKORENT-FQEVSTJZSA-N 1 3 372.557 2.885 20 0 FFADHO O[C@@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1cc(Cl)ccc1Cl ZINC001338553135 1055618540 /nfs/dbraw/zinc/61/85/40/1055618540.db2.gz VKHIISLLKDPJOP-ZNMIVQPWSA-N 1 3 359.297 2.950 20 0 FFADHO Cc1cccc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849094401 1055637394 /nfs/dbraw/zinc/63/73/94/1055637394.db2.gz HDAPYDANNUEOHI-UHFFFAOYSA-N 1 3 351.498 2.711 20 0 FFADHO CCN(CCc1ccccn1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847379999 1055650041 /nfs/dbraw/zinc/65/00/41/1055650041.db2.gz PUMOAYBLKCIZSO-UHFFFAOYSA-N 1 3 372.557 2.669 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001357518335 1055931430 /nfs/dbraw/zinc/93/14/30/1055931430.db2.gz VCTNXOVLFNIEKV-ZBFHGGJFSA-N 1 3 369.431 2.555 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001351126647 1056099533 /nfs/dbraw/zinc/09/95/33/1056099533.db2.gz JBBHOMDVAIIJKA-FQEVSTJZSA-N 1 3 374.573 2.744 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC001353253849 1056228546 /nfs/dbraw/zinc/22/85/46/1056228546.db2.gz GAFKHGQCCLTFAN-IXDOHACOSA-N 1 3 364.559 2.948 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC001353337499 1056308235 /nfs/dbraw/zinc/30/82/35/1056308235.db2.gz BBIYGRGXFNHTRA-ZBFHGGJFSA-N 1 3 371.319 2.510 20 0 FFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2OCCNC3)C1 ZINC001353508125 1056473589 /nfs/dbraw/zinc/47/35/89/1056473589.db2.gz IQBHDJLPIIKNGN-QFBILLFUSA-N 1 3 365.477 2.734 20 0 FFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc3c2OCCNC3)C1 ZINC001353508125 1056473596 /nfs/dbraw/zinc/47/35/96/1056473596.db2.gz IQBHDJLPIIKNGN-QFBILLFUSA-N 1 3 365.477 2.734 20 0 FFADHO Cc1cc(NC(=O)CC[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)no1 ZINC000634724908 1056830109 /nfs/dbraw/zinc/83/01/09/1056830109.db2.gz ZVNZIRZBFISUKS-YJBOKZPZSA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000634724908 1056830117 /nfs/dbraw/zinc/83/01/17/1056830117.db2.gz ZVNZIRZBFISUKS-YJBOKZPZSA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000634724908 1056830125 /nfs/dbraw/zinc/83/01/25/1056830125.db2.gz ZVNZIRZBFISUKS-YJBOKZPZSA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CC[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)no1 ZINC000634724907 1056830215 /nfs/dbraw/zinc/83/02/15/1056830215.db2.gz ZVNZIRZBFISUKS-QAPCUYQASA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000634724907 1056830222 /nfs/dbraw/zinc/83/02/22/1056830222.db2.gz ZVNZIRZBFISUKS-QAPCUYQASA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000634724907 1056830229 /nfs/dbraw/zinc/83/02/29/1056830229.db2.gz ZVNZIRZBFISUKS-QAPCUYQASA-N 1 3 356.470 2.669 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001502245301 1058786334 /nfs/dbraw/zinc/78/63/34/1058786334.db2.gz RPPGMLMASNXRLS-ROUUACIJSA-N 1 3 362.566 2.806 20 0 FFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001452678145 1059271844 /nfs/dbraw/zinc/27/18/44/1059271844.db2.gz JCEKJWPWAQELOI-NRFANRHFSA-N 1 3 357.542 2.885 20 0 FFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001452678145 1059271851 /nfs/dbraw/zinc/27/18/51/1059271851.db2.gz JCEKJWPWAQELOI-NRFANRHFSA-N 1 3 357.542 2.885 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@H]4C[C@H](C)C[N@H+]4C3)C2)c1 ZINC001454310576 1059497744 /nfs/dbraw/zinc/49/77/44/1059497744.db2.gz HRPOCJRXCYJOMG-NRDMVMEKSA-N 1 3 355.526 2.806 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@H]4C[C@H](C)C[N@@H+]4C3)C2)c1 ZINC001454310576 1059497753 /nfs/dbraw/zinc/49/77/53/1059497753.db2.gz HRPOCJRXCYJOMG-NRDMVMEKSA-N 1 3 355.526 2.806 20 0 FFADHO CCC[NH+]1CCC(N(C)c2nnc(C3CC3)n2CCN2CC=CCC2)CC1 ZINC001547185600 1071930524 /nfs/dbraw/zinc/93/05/24/1071930524.db2.gz VFJWAORVOQTQOH-UHFFFAOYSA-N 1 3 372.561 2.728 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001456796774 1060200239 /nfs/dbraw/zinc/20/02/39/1060200239.db2.gz KFILEJAATXUFQB-UXHICEINSA-N 1 3 355.526 2.889 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001456796774 1060200261 /nfs/dbraw/zinc/20/02/61/1060200261.db2.gz KFILEJAATXUFQB-UXHICEINSA-N 1 3 355.526 2.889 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001520944674 1060230652 /nfs/dbraw/zinc/23/06/52/1060230652.db2.gz GOGWNXQFNZDMIX-QGZVFWFLSA-N 1 3 360.550 2.562 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(c3nnc([C@@H]4CCCN(C)C4)n3C)C2)CC1 ZINC001355537810 1060337813 /nfs/dbraw/zinc/33/78/13/1060337813.db2.gz HFHJJYYBEQGOSR-RBUKOAKNSA-N 1 3 374.577 2.573 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001547637415 1071979702 /nfs/dbraw/zinc/97/97/02/1071979702.db2.gz ZAMXNCAAXDNICI-SJORKVTESA-N 1 3 362.566 2.590 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001547643971 1071980813 /nfs/dbraw/zinc/98/08/13/1071980813.db2.gz BFWQVILDYQLREL-QZTJIDSGSA-N 1 3 374.577 2.806 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001547646578 1071983115 /nfs/dbraw/zinc/98/31/15/1071983115.db2.gz AUDXCMFCMCMFEP-DLBZAZTESA-N 1 3 374.577 2.634 20 0 FFADHO [NH3+][C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)C1CCCCCC1 ZINC001521440079 1060595190 /nfs/dbraw/zinc/59/51/90/1060595190.db2.gz YKWNVEACWGSFMQ-FQEVSTJZSA-N 1 3 359.514 2.880 20 0 FFADHO C[NH+](C)Cc1ccc(CN2CCCCC[C@@H]2CO)c2c1OC(F)(F)O2 ZINC001462398292 1061607497 /nfs/dbraw/zinc/60/74/97/1061607497.db2.gz AGIROZGCTQNQMH-OAHLLOKOSA-N 1 3 356.413 2.807 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC001479101526 1062224027 /nfs/dbraw/zinc/22/40/27/1062224027.db2.gz FIFVVBTYIBKIFE-QUCCMNQESA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC001479101526 1062224050 /nfs/dbraw/zinc/22/40/50/1062224050.db2.gz FIFVVBTYIBKIFE-QUCCMNQESA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCCCN1C ZINC001479103985 1062228812 /nfs/dbraw/zinc/22/88/12/1062228812.db2.gz BMCXAQHHIHEAEE-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCCCN1C ZINC001479103985 1062228831 /nfs/dbraw/zinc/22/88/31/1062228831.db2.gz BMCXAQHHIHEAEE-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2CCCCN2C)CC[N@H+](Cc2ccccc2)C1 ZINC001479490233 1062476624 /nfs/dbraw/zinc/47/66/24/1062476624.db2.gz DCHYSMKVIOHQBL-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2CCCCN2C)CC[N@@H+](Cc2ccccc2)C1 ZINC001479490233 1062476627 /nfs/dbraw/zinc/47/66/27/1062476627.db2.gz DCHYSMKVIOHQBL-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001479580070 1062577576 /nfs/dbraw/zinc/57/75/76/1062577576.db2.gz MYZPRDNHERSQGR-AABGKKOBSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@@H+]1CCOC(C)C ZINC001479647665 1062732437 /nfs/dbraw/zinc/73/24/37/1062732437.db2.gz YELFAYFGYNAOEU-OTWHNJEPSA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@H+]1CCOC(C)C ZINC001479647665 1062732455 /nfs/dbraw/zinc/73/24/55/1062732455.db2.gz YELFAYFGYNAOEU-OTWHNJEPSA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCN1CCOC(C)C ZINC001479647665 1062732471 /nfs/dbraw/zinc/73/24/71/1062732471.db2.gz YELFAYFGYNAOEU-OTWHNJEPSA-N 1 3 353.551 2.501 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001465088980 1062973938 /nfs/dbraw/zinc/97/39/38/1062973938.db2.gz QLSPVXFZWPHQCU-QZTJIDSGSA-N 1 3 365.587 2.871 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001465088980 1062973952 /nfs/dbraw/zinc/97/39/52/1062973952.db2.gz QLSPVXFZWPHQCU-QZTJIDSGSA-N 1 3 365.587 2.871 20 0 FFADHO CC(C)=CCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001493414547 1063155878 /nfs/dbraw/zinc/15/58/78/1063155878.db2.gz DGJQHLVRQFJDSO-RTWAWAEBSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001493414547 1063155892 /nfs/dbraw/zinc/15/58/92/1063155892.db2.gz DGJQHLVRQFJDSO-RTWAWAEBSA-N 1 3 355.526 2.879 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCC[NH+]1CCCC1 ZINC001495833389 1063551029 /nfs/dbraw/zinc/55/10/29/1063551029.db2.gz DPFMUPAGCUCYIJ-SFHVURJKSA-N 1 3 374.577 2.810 20 0 FFADHO CN(CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)CC(C)(C)C ZINC001442726599 1063559990 /nfs/dbraw/zinc/55/99/90/1063559990.db2.gz PUINUJDYKQITBL-UHFFFAOYSA-N 1 3 355.473 2.833 20 0 FFADHO CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CC[N@H+](CC)C1 ZINC001470011577 1064243054 /nfs/dbraw/zinc/24/30/54/1064243054.db2.gz WWGPPILECJMBHS-ICSRJNTNSA-N 1 3 361.505 2.980 20 0 FFADHO CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC001470011577 1064243058 /nfs/dbraw/zinc/24/30/58/1064243058.db2.gz WWGPPILECJMBHS-ICSRJNTNSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)(CNC(=O)[C@@H]1C[NH2+]CCC12CCC2)N1CCc2ccccc2C1 ZINC001575319857 1078128973 /nfs/dbraw/zinc/12/89/73/1078128973.db2.gz JQJOYPLELMBNQJ-IBGZPJMESA-N 1 3 355.526 2.719 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001575423271 1078139626 /nfs/dbraw/zinc/13/96/26/1078139626.db2.gz RFFKAVMRTBSWFB-CTNGQTDRSA-N 1 3 358.530 2.681 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)N(C)C)cc1 ZINC001472470916 1065075060 /nfs/dbraw/zinc/07/50/60/1065075060.db2.gz QVKQNMVRSFJLSF-TZIWHRDSSA-N 1 3 366.509 2.889 20 0 FFADHO CC(C)[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1 ZINC001575842596 1078170634 /nfs/dbraw/zinc/17/06/34/1078170634.db2.gz DRDHSNTWIBQQRN-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(c2nnc(C3CC3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001576125473 1078198286 /nfs/dbraw/zinc/19/82/86/1078198286.db2.gz AZUICESXHIDVCO-CWRNSKLLSA-N 1 3 374.558 2.693 20 0 FFADHO COc1ccc(Br)cc1CNCCN1CCC([NH+](C)C)CC1 ZINC001474040093 1065445217 /nfs/dbraw/zinc/44/52/17/1065445217.db2.gz QOZAPZCEDHFQBZ-UHFFFAOYSA-N 1 3 370.335 2.573 20 0 FFADHO CCOc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC001474108641 1065457026 /nfs/dbraw/zinc/45/70/26/1065457026.db2.gz BZXULBNVALYFEX-FQEVSTJZSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC ZINC001474108641 1065457031 /nfs/dbraw/zinc/45/70/31/1065457031.db2.gz BZXULBNVALYFEX-FQEVSTJZSA-N 1 3 370.493 2.950 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1[NH2+]CC[C@H]1C ZINC001577027084 1078296152 /nfs/dbraw/zinc/29/61/52/1078296152.db2.gz JVNPDQJPYFLQLU-SCTDSRPQSA-N 1 3 374.577 2.854 20 0 FFADHO CCC([NH3+])(CC)Cn1c(CC(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001577115524 1078305766 /nfs/dbraw/zinc/30/57/66/1078305766.db2.gz PRJVDFMZBRIEFU-UHFFFAOYSA-N 1 3 364.582 2.772 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC001577495421 1078367348 /nfs/dbraw/zinc/36/73/48/1078367348.db2.gz JOXIRICJZGNIBL-KBRIMQKVSA-N 1 3 352.910 2.854 20 0 FFADHO CCCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCCCN1C1CC1 ZINC001577512787 1078372427 /nfs/dbraw/zinc/37/24/27/1078372427.db2.gz DSTQWJCXKRUXEW-MSOLQXFVSA-N 1 3 360.550 2.956 20 0 FFADHO CCOC(=O)c1cnn(C2CCN(Cc3cccc(C[NH3+])c3)CC2)c1C ZINC001578065717 1078435263 /nfs/dbraw/zinc/43/52/63/1078435263.db2.gz LBVOIBIWMFRRKV-UHFFFAOYSA-N 1 3 356.470 2.664 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001578418973 1078471704 /nfs/dbraw/zinc/47/17/04/1078471704.db2.gz SVVRLHCKJTUMEG-INIZCTEOSA-N 1 3 352.548 2.600 20 0 FFADHO CN(Cc1nc2c(s1)C[NH2+]CC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001578502349 1078484406 /nfs/dbraw/zinc/48/44/06/1078484406.db2.gz PSZUCUNGODYEHZ-QGZVFWFLSA-N 1 3 356.539 2.885 20 0 FFADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001578622949 1078504167 /nfs/dbraw/zinc/50/41/67/1078504167.db2.gz AUZVBUDFBOEJSJ-TYCQWZJGSA-N 1 3 369.484 2.765 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1C[NH2+]CCC12CCC2 ZINC001580704383 1078850207 /nfs/dbraw/zinc/85/02/07/1078850207.db2.gz SMGIKRAXPCDPCT-WOJBJXKFSA-N 1 3 355.526 2.937 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001549074723 1073631840 /nfs/dbraw/zinc/63/18/40/1073631840.db2.gz QYESGYFPTNJBOF-SFTDATJTSA-N 1 3 351.494 2.823 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001549074723 1073631842 /nfs/dbraw/zinc/63/18/42/1073631842.db2.gz QYESGYFPTNJBOF-SFTDATJTSA-N 1 3 351.494 2.823 20 0 FFADHO c1ccc([C@H]2CC[NH2+]C[C@@H]2NC2CCN(Cc3ccccn3)CC2)cc1 ZINC001549338585 1073754647 /nfs/dbraw/zinc/75/46/47/1073754647.db2.gz YXTVDVLAAYAOCC-YADHBBJMSA-N 1 3 350.510 2.781 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001550077735 1074139428 /nfs/dbraw/zinc/13/94/28/1074139428.db2.gz WDZCRNFJVGEFOV-QZTJIDSGSA-N 1 3 371.868 2.764 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3ccc([C@H]4C[C@H]4[NH3+])cc3)cc2)CC1 ZINC001550097822 1074143616 /nfs/dbraw/zinc/14/36/16/1074143616.db2.gz HINIMFLDAOBFFO-NHCUHLMSSA-N 1 3 364.493 2.895 20 0 FFADHO [NH3+][C@H]1C[C@@H]1c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC001550100294 1074144298 /nfs/dbraw/zinc/14/42/98/1074144298.db2.gz ZUOFOQMUORUMLT-RTWAWAEBSA-N 1 3 364.493 2.652 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001550266982 1074193820 /nfs/dbraw/zinc/19/38/20/1074193820.db2.gz BYUWWXJXWAJCGX-HKUYNNGSSA-N 1 3 356.514 2.628 20 0 FFADHO CN(C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001550282679 1074197647 /nfs/dbraw/zinc/19/76/47/1074197647.db2.gz QEHDPSUAGXAOED-OTYNDTSQSA-N 1 3 370.541 2.823 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550283428 1074198296 /nfs/dbraw/zinc/19/82/96/1074198296.db2.gz UXZHCHXFWSRPKQ-ZNBHLAFESA-N 1 3 356.514 2.653 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3nc4ccccc4nc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550664507 1074425100 /nfs/dbraw/zinc/42/51/00/1074425100.db2.gz KPERPVNYDPJGMJ-ZDFPQIBNSA-N 1 3 368.525 2.898 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3nc4ccccc4nc3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550664507 1074425105 /nfs/dbraw/zinc/42/51/05/1074425105.db2.gz KPERPVNYDPJGMJ-ZDFPQIBNSA-N 1 3 368.525 2.898 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)NC2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001551315861 1074690191 /nfs/dbraw/zinc/69/01/91/1074690191.db2.gz ATHHENJOWAOCLJ-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO FC(F)(F)c1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC001551391111 1074711501 /nfs/dbraw/zinc/71/15/01/1074711501.db2.gz BDIRTLDPLDGKHA-IYBDPMFKSA-N 1 3 354.420 2.501 20 0 FFADHO CC(C)(CNC(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC001552150550 1075003147 /nfs/dbraw/zinc/00/31/47/1075003147.db2.gz BLQKNXCLWYPZOJ-WOJBJXKFSA-N 1 3 355.526 2.575 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC001552348050 1075063382 /nfs/dbraw/zinc/06/33/82/1075063382.db2.gz ULVMBYUTDDXAAJ-HZPDHXFCSA-N 1 3 364.559 2.731 20 0 FFADHO CN(C)C1(C(=O)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001557787213 1075890726 /nfs/dbraw/zinc/89/07/26/1075890726.db2.gz YCECXRMWJYFLMZ-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2ccccc2OCC(F)(F)F)CC1 ZINC001560367031 1076268438 /nfs/dbraw/zinc/26/84/38/1076268438.db2.gz YPYUTSXNMJHSGU-UHFFFAOYSA-N 1 3 359.436 2.743 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC/C=C/c1cccc(F)c1 ZINC001560400000 1076270424 /nfs/dbraw/zinc/27/04/24/1076270424.db2.gz NKBOZRKQOIZMDZ-AKERNLMBSA-N 1 3 369.484 2.718 20 0 FFADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC001560396274 1076270647 /nfs/dbraw/zinc/27/06/47/1076270647.db2.gz UNSJZTVPNURZAA-MOPGFXCFSA-N 1 3 360.527 2.791 20 0 FFADHO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cc(-n3ccnc3)cs2)CC1 ZINC001560396274 1076270649 /nfs/dbraw/zinc/27/06/49/1076270649.db2.gz UNSJZTVPNURZAA-MOPGFXCFSA-N 1 3 360.527 2.791 20 0 FFADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc4nonc4c3)cc2)CC1 ZINC001560823949 1076302576 /nfs/dbraw/zinc/30/25/76/1076302576.db2.gz VBNLTUOPCRSGAY-UHFFFAOYSA-N 1 3 352.438 2.986 20 0 FFADHO C[C@H](CO)C1CCN(Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001560920984 1076310104 /nfs/dbraw/zinc/31/01/04/1076310104.db2.gz XMOUHGCFRWARBP-CYBMUJFWSA-N 1 3 370.440 2.910 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001563661691 1076573965 /nfs/dbraw/zinc/57/39/65/1076573965.db2.gz IMOHFAOGLDZKPB-WJFTUGDTSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001563661691 1076573971 /nfs/dbraw/zinc/57/39/71/1076573971.db2.gz IMOHFAOGLDZKPB-WJFTUGDTSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC001564009489 1076599096 /nfs/dbraw/zinc/59/90/96/1076599096.db2.gz DTPSKWAOIUDHDM-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001564520338 1076640179 /nfs/dbraw/zinc/64/01/79/1076640179.db2.gz GKZFTPBCYVNIQV-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C2)cc1 ZINC001565020610 1076678109 /nfs/dbraw/zinc/67/81/09/1076678109.db2.gz VTHRQRAKPRBERS-FQEVSTJZSA-N 1 3 360.546 2.846 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C2)cc1 ZINC001565020610 1076678111 /nfs/dbraw/zinc/67/81/11/1076678111.db2.gz VTHRQRAKPRBERS-FQEVSTJZSA-N 1 3 360.546 2.846 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001565435116 1076729577 /nfs/dbraw/zinc/72/95/77/1076729577.db2.gz WDICVEQPABXNLN-IAGOWNOFSA-N 1 3 352.910 2.726 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001565435116 1076729581 /nfs/dbraw/zinc/72/95/81/1076729581.db2.gz WDICVEQPABXNLN-IAGOWNOFSA-N 1 3 352.910 2.726 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001566053162 1076880629 /nfs/dbraw/zinc/88/06/29/1076880629.db2.gz UALSHYDHGICNRO-KURKYZTESA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001566053162 1076880634 /nfs/dbraw/zinc/88/06/34/1076880634.db2.gz UALSHYDHGICNRO-KURKYZTESA-N 1 3 371.516 2.934 20 0 FFADHO CC(C)C[C@@H](CNCc1cc(F)cc(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568328640 1077087007 /nfs/dbraw/zinc/08/70/07/1077087007.db2.gz GVUNQBHFXCRYPP-MDASCCDHSA-N 1 3 367.484 2.926 20 0 FFADHO CC(C)C[C@@H](CNCc1cc(F)cc(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568328640 1077087011 /nfs/dbraw/zinc/08/70/11/1077087011.db2.gz GVUNQBHFXCRYPP-MDASCCDHSA-N 1 3 367.484 2.926 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cccc(F)c1F ZINC001568451367 1077092800 /nfs/dbraw/zinc/09/28/00/1077092800.db2.gz NFGMWATWNFZHPM-FRFSOERESA-N 1 3 353.457 2.535 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cccc(F)c1F ZINC001568451367 1077092805 /nfs/dbraw/zinc/09/28/05/1077092805.db2.gz NFGMWATWNFZHPM-FRFSOERESA-N 1 3 353.457 2.535 20 0 FFADHO C[C@@H](CN(C)Cc1ccc(C(F)F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569118738 1077129959 /nfs/dbraw/zinc/12/99/59/1077129959.db2.gz VMYRHLXWXIRMHX-JJRVBVJISA-N 1 3 353.457 2.901 20 0 FFADHO C[C@@H](CN(C)Cc1ccc(C(F)F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569118738 1077129960 /nfs/dbraw/zinc/12/99/60/1077129960.db2.gz VMYRHLXWXIRMHX-JJRVBVJISA-N 1 3 353.457 2.901 20 0 FFADHO Cc1cc(NC(=O)CC[N@H+](C)CCC2CCN(c3ccncc3)CC2)no1 ZINC000092820945 250004660 /nfs/dbraw/zinc/00/46/60/250004660.db2.gz ZCJBNTPRZUFBNT-UHFFFAOYSA-N 1 3 371.485 2.945 20 0 FFADHO Cc1cc(NC(=O)CC[N@@H+](C)CCC2CCN(c3ccncc3)CC2)no1 ZINC000092820945 250004664 /nfs/dbraw/zinc/00/46/64/250004664.db2.gz ZCJBNTPRZUFBNT-UHFFFAOYSA-N 1 3 371.485 2.945 20 0 FFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000098173248 250073669 /nfs/dbraw/zinc/07/36/69/250073669.db2.gz WUNQJGBYOVVEEC-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000098173248 250073673 /nfs/dbraw/zinc/07/36/73/250073673.db2.gz WUNQJGBYOVVEEC-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000098173248 250073676 /nfs/dbraw/zinc/07/36/76/250073676.db2.gz WUNQJGBYOVVEEC-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000102638798 250116738 /nfs/dbraw/zinc/11/67/38/250116738.db2.gz OAIMOXLIBNBXOL-INIZCTEOSA-N 1 3 361.505 2.994 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCc4cc(F)ccc43)CC2)CC1 ZINC000101994931 250096453 /nfs/dbraw/zinc/09/64/53/250096453.db2.gz MHVSLFKPEBFFML-FQEVSTJZSA-N 1 3 374.504 2.671 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103321234 250145927 /nfs/dbraw/zinc/14/59/27/250145927.db2.gz GYFOGTGHOYNVLS-UHFFFAOYSA-N 1 3 364.509 2.631 20 0 FFADHO C[NH+]1CCC(CNC(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000105208217 250202679 /nfs/dbraw/zinc/20/26/79/250202679.db2.gz XPRHYUJTAKSVLK-UHFFFAOYSA-N 1 3 364.559 2.601 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000181104369 251242046 /nfs/dbraw/zinc/24/20/46/251242046.db2.gz YAJZBVWQIVJJLF-JLSDUUJJSA-N 1 3 356.457 2.725 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000267371085 251336118 /nfs/dbraw/zinc/33/61/18/251336118.db2.gz KDXPNGKLUXGRRV-NRDMVMEKSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000267371085 251336121 /nfs/dbraw/zinc/33/61/21/251336121.db2.gz KDXPNGKLUXGRRV-NRDMVMEKSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000267397920 251345715 /nfs/dbraw/zinc/34/57/15/251345715.db2.gz YBUBTKBJUMYFBI-LAUBAEHRSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000267397920 251345718 /nfs/dbraw/zinc/34/57/18/251345718.db2.gz YBUBTKBJUMYFBI-LAUBAEHRSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000267406950 251346697 /nfs/dbraw/zinc/34/66/97/251346697.db2.gz NZSCDSLZGNCFDR-HMXCVIKNSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000267406950 251346701 /nfs/dbraw/zinc/34/67/01/251346701.db2.gz NZSCDSLZGNCFDR-HMXCVIKNSA-N 1 3 372.557 2.880 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)NCc1ccccc1OCCN(C)C ZINC000276105257 256072612 /nfs/dbraw/zinc/07/26/12/256072612.db2.gz ULBHYEVBESJKKK-UHFFFAOYSA-N 1 3 364.534 2.500 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276287917 256086889 /nfs/dbraw/zinc/08/68/89/256086889.db2.gz NVGFYHXFHNSCKS-UHFFFAOYSA-N 1 3 372.513 2.657 20 0 FFADHO CN1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000278224002 256289835 /nfs/dbraw/zinc/28/98/35/256289835.db2.gz SMYJKUVCDSYNCJ-PMACEKPBSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000278381931 256306178 /nfs/dbraw/zinc/30/61/78/256306178.db2.gz FEQHOZNXETUAJM-MJGOQNOKSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1nccn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278959052 256366214 /nfs/dbraw/zinc/36/62/14/256366214.db2.gz MFUDBZSGPXOQGS-LEAZDLGRSA-N 1 3 354.498 2.750 20 0 FFADHO COc1ccc([C@H](Cc2ccncc2)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000286212769 257026125 /nfs/dbraw/zinc/02/61/25/257026125.db2.gz SCSSFTSWNJTZAS-QFIPXVFZSA-N 1 3 369.509 2.810 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000287857631 257122045 /nfs/dbraw/zinc/12/20/45/257122045.db2.gz XDNKVMNTOVMDSF-SJLPKXTDSA-N 1 3 372.431 2.843 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288322238 257175362 /nfs/dbraw/zinc/17/53/62/257175362.db2.gz UYWXJAKXZRZYKI-UBDVDIHFSA-N 1 3 370.541 2.774 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288322238 257175363 /nfs/dbraw/zinc/17/53/63/257175363.db2.gz UYWXJAKXZRZYKI-UBDVDIHFSA-N 1 3 370.541 2.774 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000288599826 257210278 /nfs/dbraw/zinc/21/02/78/257210278.db2.gz YNQIMCWNJUOUQK-NQIIRXRSSA-N 1 3 355.526 2.984 20 0 FFADHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1OC(F)F ZINC000289454061 257282012 /nfs/dbraw/zinc/28/20/12/257282012.db2.gz NOXDMCKPMVYGTM-UHFFFAOYSA-N 1 3 371.472 2.754 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289680656 257293635 /nfs/dbraw/zinc/29/36/35/257293635.db2.gz APZIPNBBMNPCEB-NRFANRHFSA-N 1 3 355.526 2.747 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289787138 257299454 /nfs/dbraw/zinc/29/94/54/257299454.db2.gz LQHBMFCJGUIYCI-QRQLOZEOSA-N 1 3 358.482 2.775 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289787138 257299455 /nfs/dbraw/zinc/29/94/55/257299455.db2.gz LQHBMFCJGUIYCI-QRQLOZEOSA-N 1 3 358.482 2.775 20 0 FFADHO c1nc(CNCC2CCN(c3cc[nH+]cc3)CC2)sc1C1OCCO1 ZINC000290536896 257339644 /nfs/dbraw/zinc/33/96/44/257339644.db2.gz YKYXINRUNBYUIU-UHFFFAOYSA-N 1 3 360.483 2.590 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(Cl)c3F)CC2)CC1 ZINC000290671172 257351432 /nfs/dbraw/zinc/35/14/32/257351432.db2.gz SSOUHRPXEDURPK-UHFFFAOYSA-N 1 3 367.896 2.696 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000311264831 258115365 /nfs/dbraw/zinc/11/53/65/258115365.db2.gz AFSGUFSBUGJNLB-XMTFNYHQSA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000311264831 258115366 /nfs/dbraw/zinc/11/53/66/258115366.db2.gz AFSGUFSBUGJNLB-XMTFNYHQSA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000311264831 258115367 /nfs/dbraw/zinc/11/53/67/258115367.db2.gz AFSGUFSBUGJNLB-XMTFNYHQSA-N 1 3 367.534 2.617 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CCN(C4CC4)CC3)C2)CC1 ZINC000368981548 512167620 /nfs/dbraw/zinc/16/76/20/512167620.db2.gz VUBJEIBTRNGIHR-GOSISDBHSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000373126504 512183864 /nfs/dbraw/zinc/18/38/64/512183864.db2.gz VIOPISZTKCRHTI-QFUCXCTJSA-N 1 3 370.541 2.948 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371232271 512280511 /nfs/dbraw/zinc/28/05/11/512280511.db2.gz RMUNIZPAHSCIJP-OAQYLSRUSA-N 1 3 355.526 2.889 20 0 FFADHO CN(CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000054762679 506616783 /nfs/dbraw/zinc/61/67/83/506616783.db2.gz RMJSIISCPLNGFR-NRFANRHFSA-N 1 3 368.525 2.591 20 0 FFADHO CN(CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000054762682 506616822 /nfs/dbraw/zinc/61/68/22/506616822.db2.gz RMJSIISCPLNGFR-OAQYLSRUSA-N 1 3 368.525 2.591 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373357916 512289060 /nfs/dbraw/zinc/28/90/60/512289060.db2.gz HBTAFYPAQOHGJC-GOSISDBHSA-N 1 3 353.551 2.600 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCc2ccccc2C1 ZINC000066962021 506713197 /nfs/dbraw/zinc/71/31/97/506713197.db2.gz PVGJIEGEESEMOK-OAQYLSRUSA-N 1 3 357.542 2.856 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000047885316 507406750 /nfs/dbraw/zinc/40/67/50/507406750.db2.gz MGMCQTFMZATJLE-UHFFFAOYSA-N 1 3 372.557 2.995 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000047951125 507423281 /nfs/dbraw/zinc/42/32/81/507423281.db2.gz YELRMUNTFUBACY-QGZVFWFLSA-N 1 3 362.543 2.811 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000069470799 507495383 /nfs/dbraw/zinc/49/53/83/507495383.db2.gz FDMOEVGJJAQXMF-RBUKOAKNSA-N 1 3 361.505 2.886 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000069470799 507495385 /nfs/dbraw/zinc/49/53/85/507495385.db2.gz FDMOEVGJJAQXMF-RBUKOAKNSA-N 1 3 361.505 2.886 20 0 FFADHO CC[NH+]1CCC(NC(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000070058321 507607549 /nfs/dbraw/zinc/60/75/49/507607549.db2.gz RQDIFNDFDQEDRQ-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@H](CCc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051238531 507752790 /nfs/dbraw/zinc/75/27/90/507752790.db2.gz VJNOWRYXZIZJLC-GOSISDBHSA-N 1 3 372.557 2.866 20 0 FFADHO Cc1ccc2c(c1)N(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000051761147 507783687 /nfs/dbraw/zinc/78/36/87/507783687.db2.gz HOQSDHSNRBQZDR-UHFFFAOYSA-N 1 3 356.514 2.626 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000064293004 507788733 /nfs/dbraw/zinc/78/87/33/507788733.db2.gz WHOUILDUNARAPY-UHFFFAOYSA-N 1 3 371.481 2.820 20 0 FFADHO CCCC[N@H+](C)CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000052209345 507801918 /nfs/dbraw/zinc/80/19/18/507801918.db2.gz CLMDBEZQFSPMIB-UHFFFAOYSA-N 1 3 357.498 2.727 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000052209345 507801920 /nfs/dbraw/zinc/80/19/20/507801920.db2.gz CLMDBEZQFSPMIB-UHFFFAOYSA-N 1 3 357.498 2.727 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000072859810 507866165 /nfs/dbraw/zinc/86/61/65/507866165.db2.gz ZVOKTBHXHBDJBL-UHFFFAOYSA-N 1 3 366.509 2.984 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108541490 507902245 /nfs/dbraw/zinc/90/22/45/507902245.db2.gz FGEOEINFRAWNOL-IRXDYDNUSA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108541490 507902247 /nfs/dbraw/zinc/90/22/47/507902247.db2.gz FGEOEINFRAWNOL-IRXDYDNUSA-N 1 3 362.543 2.669 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000073536463 507928804 /nfs/dbraw/zinc/92/88/04/507928804.db2.gz UOUSODWRUUQEBM-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc2)CC1 ZINC000073621234 507938927 /nfs/dbraw/zinc/93/89/27/507938927.db2.gz AJEARCFTXIFUNJ-FQEVSTJZSA-N 1 3 360.546 2.535 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000079198446 507943060 /nfs/dbraw/zinc/94/30/60/507943060.db2.gz BAQQIGPZOBTAOZ-GOSISDBHSA-N 1 3 358.530 2.814 20 0 FFADHO C[C@H](NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286821 507978867 /nfs/dbraw/zinc/97/88/67/507978867.db2.gz CFEYSGDZRSVDMX-ULQDDVLXSA-N 1 3 367.559 2.743 20 0 FFADHO CC(C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)C(F)(F)F ZINC000079894455 508012138 /nfs/dbraw/zinc/01/21/38/508012138.db2.gz OLOHZJZVINURPE-GFCCVEGCSA-N 1 3 371.403 2.563 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3nc(C)no3)CC2)CC1 ZINC000091836296 508017087 /nfs/dbraw/zinc/01/70/87/508017087.db2.gz SSWWVTDQZFYKFC-UHFFFAOYSA-N 1 3 369.513 2.900 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000080124556 508041251 /nfs/dbraw/zinc/04/12/51/508041251.db2.gz HLFDMYFTDIZIED-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000080124556 508041255 /nfs/dbraw/zinc/04/12/55/508041255.db2.gz HLFDMYFTDIZIED-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](O)C1CCN(Cc2ccc(C[NH+]3CCC([C@@H](C)O)CC3)cc2)CC1 ZINC000111285464 508086660 /nfs/dbraw/zinc/08/66/60/508086660.db2.gz CSBMGMCLGRSSBB-QZTJIDSGSA-N 1 3 360.542 2.872 20 0 FFADHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000430653041 513713479 /nfs/dbraw/zinc/71/34/79/513713479.db2.gz NWVWTPCWEFKAKH-NSHDSACASA-N 1 3 358.255 2.588 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000111789677 508122026 /nfs/dbraw/zinc/12/20/26/508122026.db2.gz DNCXQVALCBNVKM-HXUWFJFHSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1c(F)cccc1Cl ZINC000081511004 508183637 /nfs/dbraw/zinc/18/36/37/508183637.db2.gz LKSDKMBPIJPCEX-ZDUSSCGKSA-N 1 3 358.889 2.675 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CCCN(C)C3)c2)CC1 ZINC000076555577 508223026 /nfs/dbraw/zinc/22/30/26/508223026.db2.gz ZUFKEWLWAPSHKU-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)C ZINC000102548739 508277138 /nfs/dbraw/zinc/27/71/38/508277138.db2.gz JVSMAKLEVDMRIO-MRXNPFEDSA-N 1 3 352.548 2.915 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)C(C)C ZINC000102548739 508277139 /nfs/dbraw/zinc/27/71/39/508277139.db2.gz JVSMAKLEVDMRIO-MRXNPFEDSA-N 1 3 352.548 2.915 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000085394393 508305584 /nfs/dbraw/zinc/30/55/84/508305584.db2.gz BLFWVZQQCVTNAA-BWPNAZKDSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000085394393 508305586 /nfs/dbraw/zinc/30/55/86/508305586.db2.gz BLFWVZQQCVTNAA-BWPNAZKDSA-N 1 3 358.530 2.804 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085418128 508307708 /nfs/dbraw/zinc/30/77/08/508307708.db2.gz STRZJUUBDJIPHR-HKUYNNGSSA-N 1 3 352.567 2.726 20 0 FFADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OCc1ccccc1 ZINC000077450029 508317927 /nfs/dbraw/zinc/31/79/27/508317927.db2.gz DGIDTUBCHZINDS-UHFFFAOYSA-N 1 3 370.493 2.821 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccsc1 ZINC000105123967 508362587 /nfs/dbraw/zinc/36/25/87/508362587.db2.gz GVCPMKZMXSOJNU-PBHICJAKSA-N 1 3 352.548 2.913 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccsc1 ZINC000105123967 508362590 /nfs/dbraw/zinc/36/25/90/508362590.db2.gz GVCPMKZMXSOJNU-PBHICJAKSA-N 1 3 352.548 2.913 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000105198595 508365079 /nfs/dbraw/zinc/36/50/79/508365079.db2.gz DLBCVQXZCLNWGP-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000105207677 508365651 /nfs/dbraw/zinc/36/56/51/508365651.db2.gz ZWGGOTJSGMNRLI-UXHICEINSA-N 1 3 358.530 2.868 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nc(C(C)(C)C)cs1 ZINC000077823844 508380690 /nfs/dbraw/zinc/38/06/90/508380690.db2.gz VJKCUCPTHVFJDV-AWEZNQCLSA-N 1 3 369.579 2.636 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133799887 508451705 /nfs/dbraw/zinc/45/17/05/508451705.db2.gz XCQDEOWYKYZMMD-MSOLQXFVSA-N 1 3 373.545 2.781 20 0 FFADHO CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127489633 508457730 /nfs/dbraw/zinc/45/77/30/508457730.db2.gz LVFQYRQFDMDQLL-APWZRJJASA-N 1 3 350.551 2.813 20 0 FFADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000122066890 508475958 /nfs/dbraw/zinc/47/59/58/508475958.db2.gz OGAYHCHMDFYCMJ-IBGZPJMESA-N 1 3 367.578 2.848 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000122066890 508475962 /nfs/dbraw/zinc/47/59/62/508475962.db2.gz OGAYHCHMDFYCMJ-IBGZPJMESA-N 1 3 367.578 2.848 20 0 FFADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000116184470 508484609 /nfs/dbraw/zinc/48/46/09/508484609.db2.gz FJBUZFVPEYTTSN-INIZCTEOSA-N 1 3 361.505 2.994 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127675312 508484862 /nfs/dbraw/zinc/48/48/62/508484862.db2.gz SVNFCNRGUXPILF-VQIMIIECSA-N 1 3 358.530 2.905 20 0 FFADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cnc1Cl ZINC000122168841 508491859 /nfs/dbraw/zinc/49/18/59/508491859.db2.gz XUPDMHCPNJLBGB-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000116531949 508526255 /nfs/dbraw/zinc/52/62/55/508526255.db2.gz SALKPEIWXAQFEA-QZTJIDSGSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000116531949 508526259 /nfs/dbraw/zinc/52/62/59/508526259.db2.gz SALKPEIWXAQFEA-QZTJIDSGSA-N 1 3 370.541 2.996 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000157231105 508540256 /nfs/dbraw/zinc/54/02/56/508540256.db2.gz NZDYVIPDFSSRSU-WBVHZDCISA-N 1 3 357.420 2.541 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCO[C@@H]2CCOC2)CC1 ZINC000153089001 508547040 /nfs/dbraw/zinc/54/70/40/508547040.db2.gz CBLFZACUKIKTJK-HXUWFJFHSA-N 1 3 361.530 2.504 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153700318 508628854 /nfs/dbraw/zinc/62/88/54/508628854.db2.gz FOWPCHQBRBDAKZ-FHWLQOOXSA-N 1 3 367.578 2.845 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153700318 508628855 /nfs/dbraw/zinc/62/88/55/508628855.db2.gz FOWPCHQBRBDAKZ-FHWLQOOXSA-N 1 3 367.578 2.845 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000153700214 508629178 /nfs/dbraw/zinc/62/91/78/508629178.db2.gz FOWPCHQBRBDAKZ-OTWHNJEPSA-N 1 3 367.578 2.845 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000153700214 508629179 /nfs/dbraw/zinc/62/91/79/508629179.db2.gz FOWPCHQBRBDAKZ-OTWHNJEPSA-N 1 3 367.578 2.845 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000157953985 508638006 /nfs/dbraw/zinc/63/80/06/508638006.db2.gz DEWSVZIBNWVLBL-SJORKVTESA-N 1 3 367.559 2.757 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000157953985 508638009 /nfs/dbraw/zinc/63/80/09/508638009.db2.gz DEWSVZIBNWVLBL-SJORKVTESA-N 1 3 367.559 2.757 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000119085027 508722229 /nfs/dbraw/zinc/72/22/29/508722229.db2.gz WPMCUTVBZKUYDV-XLIONFOSSA-N 1 3 358.530 2.821 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000123881265 508752554 /nfs/dbraw/zinc/75/25/54/508752554.db2.gz UOSMHPMYEYLPQS-FPOVZHCZSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000123881265 508752556 /nfs/dbraw/zinc/75/25/56/508752556.db2.gz UOSMHPMYEYLPQS-FPOVZHCZSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000124460826 508836422 /nfs/dbraw/zinc/83/64/22/508836422.db2.gz NLBBEMXTLVHEBR-QFUCXCTJSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000124460826 508836424 /nfs/dbraw/zinc/83/64/24/508836424.db2.gz NLBBEMXTLVHEBR-QFUCXCTJSA-N 1 3 370.541 2.823 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000154712898 508839833 /nfs/dbraw/zinc/83/98/33/508839833.db2.gz PIZFGMQVTOIHBI-LJQANCHMSA-N 1 3 364.509 2.802 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C(F)(F)F ZINC000119801930 508865657 /nfs/dbraw/zinc/86/56/57/508865657.db2.gz CKMPCTYLAAQIOE-UHFFFAOYSA-N 1 3 360.424 2.971 20 0 FFADHO Cc1cccc([C@H](C)CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000154836744 508866619 /nfs/dbraw/zinc/86/66/19/508866619.db2.gz BDKKOELLLRFXLD-GOSISDBHSA-N 1 3 372.557 2.956 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000131106398 508887909 /nfs/dbraw/zinc/88/79/09/508887909.db2.gz BEJLTIGWEIHMEH-OTWHNJEPSA-N 1 3 350.551 2.623 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000131106398 508887913 /nfs/dbraw/zinc/88/79/13/508887913.db2.gz BEJLTIGWEIHMEH-OTWHNJEPSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000119965286 508899865 /nfs/dbraw/zinc/89/98/65/508899865.db2.gz LRMMIXHDQCQVRR-UHFFFAOYSA-N 1 3 354.498 2.896 20 0 FFADHO CN(CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000125284733 508959731 /nfs/dbraw/zinc/95/97/31/508959731.db2.gz YDTOMJXROYMPHU-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000125284733 508959735 /nfs/dbraw/zinc/95/97/35/508959735.db2.gz YDTOMJXROYMPHU-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000125451679 508985214 /nfs/dbraw/zinc/98/52/14/508985214.db2.gz GCTFJPQQKCDBAV-MSOLQXFVSA-N 1 3 373.541 2.560 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000151618079 509053967 /nfs/dbraw/zinc/05/39/67/509053967.db2.gz WIFNJCQSHGXLER-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000151618079 509053969 /nfs/dbraw/zinc/05/39/69/509053969.db2.gz WIFNJCQSHGXLER-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000156078844 509123027 /nfs/dbraw/zinc/12/30/27/509123027.db2.gz VSEYMNOSLOHVDZ-RZUBCFFCSA-N 1 3 358.574 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000263852437 509186409 /nfs/dbraw/zinc/18/64/09/509186409.db2.gz AMJLNCJUJCMQAF-UXHICEINSA-N 1 3 358.530 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000263852437 509186415 /nfs/dbraw/zinc/18/64/15/509186415.db2.gz AMJLNCJUJCMQAF-UXHICEINSA-N 1 3 358.530 2.907 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000248026935 509218899 /nfs/dbraw/zinc/21/88/99/509218899.db2.gz JSUOXEODNQHNKQ-SLFFLAALSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000188712624 509226843 /nfs/dbraw/zinc/22/68/43/509226843.db2.gz XEMVGCZSFGQWLT-AWEZNQCLSA-N 1 3 353.470 2.682 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000188712624 509226849 /nfs/dbraw/zinc/22/68/49/509226849.db2.gz XEMVGCZSFGQWLT-AWEZNQCLSA-N 1 3 353.470 2.682 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CCN(C)C1CC1 ZINC000185555646 509234550 /nfs/dbraw/zinc/23/45/50/509234550.db2.gz IXHHGBYDQOYNKH-QZTJIDSGSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248392905 509289542 /nfs/dbraw/zinc/28/95/42/509289542.db2.gz DOGSXPXSSXJDIM-JMJGKCIBSA-N 1 3 370.585 2.513 20 0 FFADHO O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248402662 509296803 /nfs/dbraw/zinc/29/68/03/509296803.db2.gz NRQKMVYVBLQYHY-NJDAHSKKSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]2CCCC[C@@H]12 ZINC000248455903 509329556 /nfs/dbraw/zinc/32/95/56/509329556.db2.gz ZZFHQFDQAKXELZ-UXPWSPDFSA-N 1 3 362.562 2.765 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267083015 509340091 /nfs/dbraw/zinc/34/00/91/509340091.db2.gz GYYSMFGCGVOCBM-IBGZPJMESA-N 1 3 361.511 2.662 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000248572485 509371973 /nfs/dbraw/zinc/37/19/73/509371973.db2.gz NAGXVMOMLZOCHE-PKOBYXMFSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000248572485 509371982 /nfs/dbraw/zinc/37/19/82/509371982.db2.gz NAGXVMOMLZOCHE-PKOBYXMFSA-N 1 3 373.545 2.775 20 0 FFADHO C[C@H](NC[C@@H](O)COCc1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576114 509374726 /nfs/dbraw/zinc/37/47/26/509374726.db2.gz NKOBTVMCRUGZEQ-LZLYRXPVSA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H](NC[C@@H](O)COCc1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248576114 509374730 /nfs/dbraw/zinc/37/47/30/509374730.db2.gz NKOBTVMCRUGZEQ-LZLYRXPVSA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248576114 509374733 /nfs/dbraw/zinc/37/47/33/509374733.db2.gz NKOBTVMCRUGZEQ-LZLYRXPVSA-N 1 3 352.544 2.868 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000264201020 509377445 /nfs/dbraw/zinc/37/74/45/509377445.db2.gz IZEWMDVFWALLHP-UHFFFAOYSA-N 1 3 374.916 2.778 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163931214 509443263 /nfs/dbraw/zinc/44/32/63/509443263.db2.gz JIHAVYMSMXLSGK-FUPPJEDESA-N 1 3 372.601 2.903 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182879875 509473000 /nfs/dbraw/zinc/47/30/00/509473000.db2.gz KRUYORBUOZOOHC-NTDBWNAOSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182879875 509473006 /nfs/dbraw/zinc/47/30/06/509473006.db2.gz KRUYORBUOZOOHC-NTDBWNAOSA-N 1 3 350.551 2.621 20 0 FFADHO CC1(C)C[C@@H](NCC2(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)COC2)C(C)(C)O1 ZINC000189237268 509477221 /nfs/dbraw/zinc/47/72/21/509477221.db2.gz BMCAMUHZNSDMTA-HZPDHXFCSA-N 1 3 368.562 2.874 20 0 FFADHO C[C@H]1CCC[C@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176382405 509478652 /nfs/dbraw/zinc/47/86/52/509478652.db2.gz AALUQDOIQPKCEF-IRXDYDNUSA-N 1 3 350.551 2.765 20 0 FFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000236730299 509493248 /nfs/dbraw/zinc/49/32/48/509493248.db2.gz ZIPCUBMLBJERKS-VQTJNVASSA-N 1 3 355.526 2.966 20 0 FFADHO CC(C)(C)N1CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000186042859 509495192 /nfs/dbraw/zinc/49/51/92/509495192.db2.gz CMBCAWWFZMCQKS-UHFFFAOYSA-N 1 3 365.543 2.579 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000267476023 509504260 /nfs/dbraw/zinc/50/42/60/509504260.db2.gz YJOOFYRKIYVHJW-HLAWJBBLSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000267476023 509504268 /nfs/dbraw/zinc/50/42/68/509504268.db2.gz YJOOFYRKIYVHJW-HLAWJBBLSA-N 1 3 368.525 2.553 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248913794 509541597 /nfs/dbraw/zinc/54/15/97/509541597.db2.gz VTNBFRUODIXYGO-SXLOBPIMSA-N 1 3 358.530 2.538 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248913794 509541599 /nfs/dbraw/zinc/54/15/99/509541599.db2.gz VTNBFRUODIXYGO-SXLOBPIMSA-N 1 3 358.530 2.538 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237038347 509557369 /nfs/dbraw/zinc/55/73/69/509557369.db2.gz VWOZRSPKBCOBBT-UHFFFAOYSA-N 1 3 351.494 2.686 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237046488 509558629 /nfs/dbraw/zinc/55/86/29/509558629.db2.gz OBMMTQYFDVCYCF-UHFFFAOYSA-N 1 3 366.465 2.799 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000186272303 509615109 /nfs/dbraw/zinc/61/51/09/509615109.db2.gz ZPZKJBYCPFZCDE-PMACEKPBSA-N 1 3 358.530 2.633 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186321393 509645514 /nfs/dbraw/zinc/64/55/14/509645514.db2.gz ZIXYOEMDHXRZKE-NRFANRHFSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H](N)c1ccccc1 ZINC000237449101 509650874 /nfs/dbraw/zinc/65/08/74/509650874.db2.gz AUXOTDDSFPXHLB-OXJNMPFZSA-N 1 3 355.482 2.579 20 0 FFADHO C[C@]1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237552451 509676327 /nfs/dbraw/zinc/67/63/27/509676327.db2.gz VHOAYHWILNZTJO-QFIPXVFZSA-N 1 3 373.541 2.564 20 0 FFADHO C[C@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000237575320 509681352 /nfs/dbraw/zinc/68/13/52/509681352.db2.gz QWDMHVQRIHHDOI-UWJYYQICSA-N 1 3 369.509 2.969 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CSCCN2)CC[N@@H+]1Cc1ccccc1 ZINC000237585512 509683029 /nfs/dbraw/zinc/68/30/29/509683029.db2.gz RMQYCDBKUHAGMV-BHIYHBOVSA-N 1 3 361.555 2.593 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CSCCN2)CC[N@H+]1Cc1ccccc1 ZINC000237585512 509683037 /nfs/dbraw/zinc/68/30/37/509683037.db2.gz RMQYCDBKUHAGMV-BHIYHBOVSA-N 1 3 361.555 2.593 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000268012210 509717418 /nfs/dbraw/zinc/71/74/18/509717418.db2.gz PVEQMXNXBLNVEH-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000268012210 509717425 /nfs/dbraw/zinc/71/74/25/509717425.db2.gz PVEQMXNXBLNVEH-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000193302252 509857995 /nfs/dbraw/zinc/85/79/95/509857995.db2.gz CDEZEWKPGSDQAC-ZSJMHYJMSA-N 1 3 370.585 2.798 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245383665 509887978 /nfs/dbraw/zinc/88/79/78/509887978.db2.gz QQRBTZDDEOAVLR-UYAOXDASSA-N 1 3 359.489 2.734 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174106202 509949927 /nfs/dbraw/zinc/94/99/27/509949927.db2.gz LKXFIISBUKRSEX-FPOVZHCZSA-N 1 3 370.541 2.951 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000268506002 509975186 /nfs/dbraw/zinc/97/51/86/509975186.db2.gz WLHSSQLNIJHIRS-UHFFFAOYSA-N 1 3 373.541 2.638 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nc(C)c(C)s1 ZINC000171165843 509982626 /nfs/dbraw/zinc/98/26/26/509982626.db2.gz MCZWOFXJJLMUGW-OAHLLOKOSA-N 1 3 353.536 2.640 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nc(C)c(C)s1 ZINC000171165843 509982634 /nfs/dbraw/zinc/98/26/34/509982634.db2.gz MCZWOFXJJLMUGW-OAHLLOKOSA-N 1 3 353.536 2.640 20 0 FFADHO CN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268568086 510014003 /nfs/dbraw/zinc/01/40/03/510014003.db2.gz OPRIAILSRWRMBE-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1cccs1 ZINC000245586955 510022683 /nfs/dbraw/zinc/02/26/83/510022683.db2.gz AMKDZTLDBSOSID-IAGOWNOFSA-N 1 3 366.575 2.737 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1cccs1 ZINC000245586955 510022685 /nfs/dbraw/zinc/02/26/85/510022685.db2.gz AMKDZTLDBSOSID-IAGOWNOFSA-N 1 3 366.575 2.737 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000174253246 510024605 /nfs/dbraw/zinc/02/46/05/510024605.db2.gz HDHQVMHXCJIYBT-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268590426 510025455 /nfs/dbraw/zinc/02/54/55/510025455.db2.gz SBHIUZJXXUMBRC-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268590426 510025457 /nfs/dbraw/zinc/02/54/57/510025457.db2.gz SBHIUZJXXUMBRC-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CC(C)N(C(=O)[C@H](C)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000171306196 510070027 /nfs/dbraw/zinc/07/00/27/510070027.db2.gz LYJMDEVSXRVCLG-QRVBRYPASA-N 1 3 367.578 2.842 20 0 FFADHO C[C@@]1(C[NH3+])CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000261839384 510083765 /nfs/dbraw/zinc/08/37/65/510083765.db2.gz ZOZGDHCANIOARU-QFIPXVFZSA-N 1 3 351.494 2.953 20 0 FFADHO C[C@@]1(CN)CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000261839384 510083772 /nfs/dbraw/zinc/08/37/72/510083772.db2.gz ZOZGDHCANIOARU-QFIPXVFZSA-N 1 3 351.494 2.953 20 0 FFADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000261839384 510083781 /nfs/dbraw/zinc/08/37/81/510083781.db2.gz ZOZGDHCANIOARU-QFIPXVFZSA-N 1 3 351.494 2.953 20 0 FFADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000268842586 510094709 /nfs/dbraw/zinc/09/47/09/510094709.db2.gz NEVODUUSAKXXEV-QGZVFWFLSA-N 1 3 350.503 2.863 20 0 FFADHO Cc1cc(NC(=O)CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000174398467 510097133 /nfs/dbraw/zinc/09/71/33/510097133.db2.gz YPBSDTJVFGVJTF-GOSISDBHSA-N 1 3 356.470 2.766 20 0 FFADHO Cc1cc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000174398467 510097136 /nfs/dbraw/zinc/09/71/36/510097136.db2.gz YPBSDTJVFGVJTF-GOSISDBHSA-N 1 3 356.470 2.766 20 0 FFADHO CCN1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000268848410 510099045 /nfs/dbraw/zinc/09/90/45/510099045.db2.gz JVJXLQLVBMITAX-UHFFFAOYSA-N 1 3 358.574 2.658 20 0 FFADHO C[C@H]([C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245710380 510101093 /nfs/dbraw/zinc/10/10/93/510101093.db2.gz NDHSRVHEPSUIQO-XRYRHKQGSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H]([C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245710380 510101099 /nfs/dbraw/zinc/10/10/99/510101099.db2.gz NDHSRVHEPSUIQO-XRYRHKQGSA-N 1 3 357.542 2.881 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000187203303 510122026 /nfs/dbraw/zinc/12/20/26/510122026.db2.gz KVYNUXOBRACYJT-OAQYLSRUSA-N 1 3 370.541 2.823 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000187203303 510122032 /nfs/dbraw/zinc/12/20/32/510122032.db2.gz KVYNUXOBRACYJT-OAQYLSRUSA-N 1 3 370.541 2.823 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261970100 510131943 /nfs/dbraw/zinc/13/19/43/510131943.db2.gz QFBFFIGYYMCQQI-FPOVZHCZSA-N 1 3 371.525 2.556 20 0 FFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000261967514 510132801 /nfs/dbraw/zinc/13/28/01/510132801.db2.gz BSTYHXUIZDGBLQ-MRXNPFEDSA-N 1 3 356.514 2.537 20 0 FFADHO CN(c1ccccc1C[NH2+][C@H]1CCc2n[nH]cc2C1)C1CCN(C)CC1 ZINC000177585631 510146627 /nfs/dbraw/zinc/14/66/27/510146627.db2.gz DQHBPSVKEDIUFR-SFHVURJKSA-N 1 3 353.514 2.587 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171452533 510167859 /nfs/dbraw/zinc/16/78/59/510167859.db2.gz QQRBTZDDEOAVLR-QUCCMNQESA-N 1 3 359.489 2.734 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000245856477 510171450 /nfs/dbraw/zinc/17/14/50/510171450.db2.gz AKDLPRDXRXZQRA-CEXWTWQISA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCCN(C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000265777280 510226080 /nfs/dbraw/zinc/22/60/80/510226080.db2.gz URUUSQBOZHIOKW-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCCN(C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000265777280 510226086 /nfs/dbraw/zinc/22/60/86/510226086.db2.gz URUUSQBOZHIOKW-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000246061249 510271439 /nfs/dbraw/zinc/27/14/39/510271439.db2.gz REHNSRQEIIZMFK-UYAOXDASSA-N 1 3 368.562 2.519 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000246061249 510271442 /nfs/dbraw/zinc/27/14/42/510271442.db2.gz REHNSRQEIIZMFK-UYAOXDASSA-N 1 3 368.562 2.519 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)N(C)C)cc1 ZINC000177842902 510283748 /nfs/dbraw/zinc/28/37/48/510283748.db2.gz VVCMMMISCYIGCF-QUCCMNQESA-N 1 3 360.546 2.835 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC)C2)N(C)C)cc1 ZINC000177842902 510283756 /nfs/dbraw/zinc/28/37/56/510283756.db2.gz VVCMMMISCYIGCF-QUCCMNQESA-N 1 3 360.546 2.835 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000246115940 510303072 /nfs/dbraw/zinc/30/30/72/510303072.db2.gz ICQUNEJDSSRAJT-IPMKNSEASA-N 1 3 352.567 2.867 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269243113 510305670 /nfs/dbraw/zinc/30/56/70/510305670.db2.gz CBQCAIDPVHGSKD-FWZVCBSNSA-N 1 3 355.526 2.934 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](N)Cc3ccccc3)c(C)c2)CC1 ZINC000269269090 510317154 /nfs/dbraw/zinc/31/71/54/510317154.db2.gz QZZJINYRQWYUNQ-FQEVSTJZSA-N 1 3 366.509 2.645 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262576963 510322417 /nfs/dbraw/zinc/32/24/17/510322417.db2.gz GCABKOQAXKCXMT-SFHVURJKSA-N 1 3 371.447 2.884 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262576962 510322978 /nfs/dbraw/zinc/32/29/78/510322978.db2.gz GCABKOQAXKCXMT-GOSISDBHSA-N 1 3 371.447 2.884 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCc4ccccc4C3)CC2)CC1 ZINC000171729068 510335091 /nfs/dbraw/zinc/33/50/91/510335091.db2.gz GTYMSEBRLCHHAK-UHFFFAOYSA-N 1 3 370.541 2.703 20 0 FFADHO CC[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000262673643 510363231 /nfs/dbraw/zinc/36/32/31/510363231.db2.gz QIRWZRIVCNJZLM-HFSMHLIXSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000174889561 510368638 /nfs/dbraw/zinc/36/86/38/510368638.db2.gz QSLPWYBKUQSUMR-HKUYNNGSSA-N 1 3 356.514 2.772 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC[NH+](C2CC2)CC1 ZINC000194478301 510385809 /nfs/dbraw/zinc/38/58/09/510385809.db2.gz FYZBCNPMVPIVJT-INIZCTEOSA-N 1 3 361.555 2.951 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262793343 510414090 /nfs/dbraw/zinc/41/40/90/510414090.db2.gz NEQMDLKTEBFESW-KYJSFNMBSA-N 1 3 369.431 2.555 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000246308569 510417237 /nfs/dbraw/zinc/41/72/37/510417237.db2.gz JOYIGAUVOMEXLS-SOAMZJECSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000246308569 510417240 /nfs/dbraw/zinc/41/72/40/510417240.db2.gz JOYIGAUVOMEXLS-SOAMZJECSA-N 1 3 362.562 2.765 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000246394268 510465607 /nfs/dbraw/zinc/46/56/07/510465607.db2.gz RETKDJGVWJLVNC-HZPDHXFCSA-N 1 3 367.563 2.570 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000246394268 510465610 /nfs/dbraw/zinc/46/56/10/510465610.db2.gz RETKDJGVWJLVNC-HZPDHXFCSA-N 1 3 367.563 2.570 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000246409644 510474219 /nfs/dbraw/zinc/47/42/19/510474219.db2.gz FDAUSLYLMGVPLW-WLRLJWMZSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000246409644 510474229 /nfs/dbraw/zinc/47/42/29/510474229.db2.gz FDAUSLYLMGVPLW-WLRLJWMZSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000246443122 510491456 /nfs/dbraw/zinc/49/14/56/510491456.db2.gz DOHKKAHERQSWDN-IZBJGVDFSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000246443122 510491461 /nfs/dbraw/zinc/49/14/61/510491461.db2.gz DOHKKAHERQSWDN-IZBJGVDFSA-N 1 3 358.530 2.774 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000178404199 510586324 /nfs/dbraw/zinc/58/63/24/510586324.db2.gz IFXGPSNOXOIQEC-PMACEKPBSA-N 1 3 374.529 2.638 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(CC[NH+](C)C)C(C)C)c2)CC1 ZINC000184927725 510589149 /nfs/dbraw/zinc/58/91/49/510589149.db2.gz QFBDRAWBLVKKMX-UHFFFAOYSA-N 1 3 361.534 2.632 20 0 FFADHO C[N@H+](CCN1CCN(C[C@H](O)C2CCCCC2)CC1)Cc1ccccc1 ZINC000191333222 510609825 /nfs/dbraw/zinc/60/98/25/510609825.db2.gz LUQYFVIIFWRXCF-QFIPXVFZSA-N 1 3 359.558 2.677 20 0 FFADHO C[N@@H+](CCN1CCN(C[C@H](O)C2CCCCC2)CC1)Cc1ccccc1 ZINC000191333222 510609832 /nfs/dbraw/zinc/60/98/32/510609832.db2.gz LUQYFVIIFWRXCF-QFIPXVFZSA-N 1 3 359.558 2.677 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000175479201 510660362 /nfs/dbraw/zinc/66/03/62/510660362.db2.gz ROWASTWVSMHNQN-CTNGQTDRSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000175479201 510660367 /nfs/dbraw/zinc/66/03/67/510660367.db2.gz ROWASTWVSMHNQN-CTNGQTDRSA-N 1 3 372.557 2.882 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246775163 510667666 /nfs/dbraw/zinc/66/76/66/510667666.db2.gz PLNZSFMOSDHSNY-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO CCN1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000266683264 510727400 /nfs/dbraw/zinc/72/74/00/510727400.db2.gz JQEUTSQBQRZAPD-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCC(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000266683264 510727403 /nfs/dbraw/zinc/72/74/03/510727403.db2.gz JQEUTSQBQRZAPD-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)Cc1ccccc1 ZINC000182058682 510733781 /nfs/dbraw/zinc/73/37/81/510733781.db2.gz DISWHHORENKVTN-SFHVURJKSA-N 1 3 353.510 2.946 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000178726741 510741107 /nfs/dbraw/zinc/74/11/07/510741107.db2.gz SJOGIRCRZCOCRJ-SFTDATJTSA-N 1 3 351.494 2.900 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246939220 510756963 /nfs/dbraw/zinc/75/69/63/510756963.db2.gz HNJNWLRSMDEXDJ-SMKXDYDZSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246939220 510756967 /nfs/dbraw/zinc/75/69/67/510756967.db2.gz HNJNWLRSMDEXDJ-SMKXDYDZSA-N 1 3 360.420 2.763 20 0 FFADHO COc1cccc(COC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246944720 510762043 /nfs/dbraw/zinc/76/20/43/510762043.db2.gz UHPQULQVHGXXAP-CZTZKLFOSA-N 1 3 374.525 2.521 20 0 FFADHO COc1cccc(COC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246944720 510762050 /nfs/dbraw/zinc/76/20/50/510762050.db2.gz UHPQULQVHGXXAP-CZTZKLFOSA-N 1 3 374.525 2.521 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC[C@H]21 ZINC000247024538 510805889 /nfs/dbraw/zinc/80/58/89/510805889.db2.gz QMWJPDHGZZDANA-QHAWAJNXSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC[C@H]21 ZINC000247024538 510805894 /nfs/dbraw/zinc/80/58/94/510805894.db2.gz QMWJPDHGZZDANA-QHAWAJNXSA-N 1 3 370.541 2.949 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000247035931 510811957 /nfs/dbraw/zinc/81/19/57/510811957.db2.gz RJGDVTKCSGSSFZ-FXAWDEMLSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000247035931 510811963 /nfs/dbraw/zinc/81/19/63/510811963.db2.gz RJGDVTKCSGSSFZ-FXAWDEMLSA-N 1 3 361.530 2.615 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000263727962 510814114 /nfs/dbraw/zinc/81/41/14/510814114.db2.gz MRWLDNWNWAHKKF-JKSUJKDBSA-N 1 3 352.548 2.600 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)N(C)C)cc1 ZINC000182214529 510817081 /nfs/dbraw/zinc/81/70/81/510817081.db2.gz TVFQLRLCVNFTQH-ACRUOGEOSA-N 1 3 372.557 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)N(C)C)cc1 ZINC000182214529 510817087 /nfs/dbraw/zinc/81/70/87/510817087.db2.gz TVFQLRLCVNFTQH-ACRUOGEOSA-N 1 3 372.557 2.977 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247052306 510817471 /nfs/dbraw/zinc/81/74/71/510817471.db2.gz NOQLNHMQALVMLD-XUVXKRRUSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)c1 ZINC000247103813 510835970 /nfs/dbraw/zinc/83/59/70/510835970.db2.gz QCZTVTIFNCHEAU-KCZVDYSFSA-N 1 3 358.574 2.825 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000247365820 510858702 /nfs/dbraw/zinc/85/87/02/510858702.db2.gz RBBQAJRPIJSUPH-IAGOWNOFSA-N 1 3 364.559 2.868 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000247365820 510858703 /nfs/dbraw/zinc/85/87/03/510858703.db2.gz RBBQAJRPIJSUPH-IAGOWNOFSA-N 1 3 364.559 2.868 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247369939 510858727 /nfs/dbraw/zinc/85/87/27/510858727.db2.gz PBRSHDZNMOHHAX-RTWAWAEBSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247369939 510858728 /nfs/dbraw/zinc/85/87/28/510858728.db2.gz PBRSHDZNMOHHAX-RTWAWAEBSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1nccn1CCCN1C[C@H](C)[N@@H+](CCCn2ccnc2C)C[C@H]1C ZINC000270597080 510919046 /nfs/dbraw/zinc/91/90/46/510919046.db2.gz GDOSDXXVDCECLF-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1C[C@H](C)[N@H+](CCCn2ccnc2C)C[C@H]1C ZINC000270597080 510919052 /nfs/dbraw/zinc/91/90/52/510919052.db2.gz GDOSDXXVDCECLF-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1C[C@@H](C)[N@@H+](CCCn2ccnc2C)C[C@@H]1C ZINC000270597080 510919060 /nfs/dbraw/zinc/91/90/60/510919060.db2.gz GDOSDXXVDCECLF-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1C[C@@H](C)[N@H+](CCCn2ccnc2C)C[C@@H]1C ZINC000270597080 510919063 /nfs/dbraw/zinc/91/90/63/510919063.db2.gz GDOSDXXVDCECLF-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO C[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+]1CCCCCC1 ZINC000364699915 511028692 /nfs/dbraw/zinc/02/86/92/511028692.db2.gz UNPQSZMXPSTTRT-HOJAQTOUSA-N 1 3 358.530 2.797 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000361330192 511033149 /nfs/dbraw/zinc/03/31/49/511033149.db2.gz DVYMIUAOSHFPEN-NRFANRHFSA-N 1 3 370.541 2.527 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000361330192 511033153 /nfs/dbraw/zinc/03/31/53/511033153.db2.gz DVYMIUAOSHFPEN-NRFANRHFSA-N 1 3 370.541 2.527 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(C(F)(F)F)cc1 ZINC000298585008 511338430 /nfs/dbraw/zinc/33/84/30/511338430.db2.gz YBVOMZIINKMEHS-INIZCTEOSA-N 1 3 358.404 2.662 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cccc(F)c1Br ZINC000295294755 511351922 /nfs/dbraw/zinc/35/19/22/511351922.db2.gz XHSYCODRZPGLFK-AWEZNQCLSA-N 1 3 359.283 2.915 20 0 FFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cccc(F)c1Br ZINC000295294755 511351929 /nfs/dbraw/zinc/35/19/29/511351929.db2.gz XHSYCODRZPGLFK-AWEZNQCLSA-N 1 3 359.283 2.915 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)C[C@@H]21 ZINC000333869849 511377670 /nfs/dbraw/zinc/37/76/70/511377670.db2.gz BNFGFAQUKSOGTL-YYIAUSFCSA-N 1 3 362.543 2.654 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000298755000 511400230 /nfs/dbraw/zinc/40/02/30/511400230.db2.gz SRYIPYJCJVWRRA-MOPGFXCFSA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000298755000 511400235 /nfs/dbraw/zinc/40/02/35/511400235.db2.gz SRYIPYJCJVWRRA-MOPGFXCFSA-N 1 3 360.502 2.512 20 0 FFADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000291950753 511404130 /nfs/dbraw/zinc/40/41/30/511404130.db2.gz UOIMFKJMUYIFEC-FQEVSTJZSA-N 1 3 365.493 2.915 20 0 FFADHO CN(C)CCN1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000280613463 511533023 /nfs/dbraw/zinc/53/30/23/511533023.db2.gz KIGKYWHYCSCIDQ-UHFFFAOYSA-N 1 3 367.541 2.965 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363439164 511551908 /nfs/dbraw/zinc/55/19/08/511551908.db2.gz BMHMJULVZYRGBB-QUCCMNQESA-N 1 3 359.489 2.734 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363439164 511551914 /nfs/dbraw/zinc/55/19/14/511551914.db2.gz BMHMJULVZYRGBB-QUCCMNQESA-N 1 3 359.489 2.734 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)CC[NH+](C)C)c(C)c2)CC1 ZINC000299372822 511611677 /nfs/dbraw/zinc/61/16/77/511611677.db2.gz ZAHSILREUWCDII-QGZVFWFLSA-N 1 3 361.534 2.599 20 0 FFADHO COC[C@@H]1CCN(Cc2cc(C[N@@H+]3CC[C@@H](COC)C3)cc(OC)c2)C1 ZINC000292700198 511690753 /nfs/dbraw/zinc/69/07/53/511690753.db2.gz SMLHGRYOASVDBZ-QZTJIDSGSA-N 1 3 362.514 2.632 20 0 FFADHO COC[C@@H]1CCN(Cc2cc(C[N@H+]3CC[C@@H](COC)C3)cc(OC)c2)C1 ZINC000292700198 511690758 /nfs/dbraw/zinc/69/07/58/511690758.db2.gz SMLHGRYOASVDBZ-QZTJIDSGSA-N 1 3 362.514 2.632 20 0 FFADHO CC(C)[C@@H](CNC(=O)NCCN1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000302949755 511721955 /nfs/dbraw/zinc/72/19/55/511721955.db2.gz NNOHBZSREXDLGA-LJQANCHMSA-N 1 3 352.567 2.774 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1F ZINC000311400097 511776311 /nfs/dbraw/zinc/77/63/11/511776311.db2.gz RHJZEMXWHRGREL-RTBURBONSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1F ZINC000311400097 511776315 /nfs/dbraw/zinc/77/63/15/511776315.db2.gz RHJZEMXWHRGREL-RTBURBONSA-N 1 3 358.457 2.677 20 0 FFADHO CN(c1ccccc1C[NH2+][C@H]1CCc2c[nH]nc2C1)C1CCN(C)CC1 ZINC000363903587 511841345 /nfs/dbraw/zinc/84/13/45/511841345.db2.gz JVEBZAXMTXCGND-SFHVURJKSA-N 1 3 353.514 2.587 20 0 FFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)ccn1 ZINC000363953708 511871411 /nfs/dbraw/zinc/87/14/11/511871411.db2.gz NRRGNMDHCLBZTI-QZTJIDSGSA-N 1 3 357.502 2.572 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274907706 511984424 /nfs/dbraw/zinc/98/44/24/511984424.db2.gz MNAMVMMXGSYGNR-KSEOMHKRSA-N 1 3 371.569 2.988 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000297115312 512025428 /nfs/dbraw/zinc/02/54/28/512025428.db2.gz QROYJCKGESFTIH-UHFFFAOYSA-N 1 3 371.529 2.614 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC000281954783 512025521 /nfs/dbraw/zinc/02/55/21/512025521.db2.gz FTSFJXZCHLQWHX-UHFFFAOYSA-N 1 3 373.585 2.720 20 0 FFADHO CS[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1N1CCCC1 ZINC000275300323 512099105 /nfs/dbraw/zinc/09/91/05/512099105.db2.gz QCQCSSLNVOFEQE-UXHICEINSA-N 1 3 373.566 2.934 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCN1C1CCOCC1 ZINC000373875450 512548316 /nfs/dbraw/zinc/54/83/16/512548316.db2.gz BZHHZZCXUCYLPH-WOJBJXKFSA-N 1 3 363.546 2.543 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCN1C1CCOCC1 ZINC000373875450 512548317 /nfs/dbraw/zinc/54/83/17/512548317.db2.gz BZHHZZCXUCYLPH-WOJBJXKFSA-N 1 3 363.546 2.543 20 0 FFADHO CCCNC(=O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000411307029 512572810 /nfs/dbraw/zinc/57/28/10/512572810.db2.gz GRRRYZRXJSOOMU-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO CNC(=O)CCOC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411329812 512582776 /nfs/dbraw/zinc/58/27/76/512582776.db2.gz KWGSRRCCFKFSLQ-UHFFFAOYSA-N 1 3 373.541 2.790 20 0 FFADHO COc1ccc(-c2ccncc2)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000374147718 512678652 /nfs/dbraw/zinc/67/86/52/512678652.db2.gz JHROKVSNEOQRRT-UHFFFAOYSA-N 1 3 368.525 2.873 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc3ccccc3c(=O)[nH]2)[C@@H](C)C1 ZINC000411557070 512687545 /nfs/dbraw/zinc/68/75/45/512687545.db2.gz YRAHVGNTIPMYNQ-WMZOPIPTSA-N 1 3 372.513 2.605 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc3ccccc3c(=O)[nH]2)[C@@H](C)C1 ZINC000411557070 512687549 /nfs/dbraw/zinc/68/75/49/512687549.db2.gz YRAHVGNTIPMYNQ-WMZOPIPTSA-N 1 3 372.513 2.605 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc3ccccc3c(=O)[nH]2)[C@H](C)C1 ZINC000411557068 512688174 /nfs/dbraw/zinc/68/81/74/512688174.db2.gz YRAHVGNTIPMYNQ-SJLPKXTDSA-N 1 3 372.513 2.605 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc3ccccc3c(=O)[nH]2)[C@H](C)C1 ZINC000411557068 512688181 /nfs/dbraw/zinc/68/81/81/512688181.db2.gz YRAHVGNTIPMYNQ-SJLPKXTDSA-N 1 3 372.513 2.605 20 0 FFADHO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1=CCN(C)CC1 ZINC000370000016 512721049 /nfs/dbraw/zinc/72/10/49/512721049.db2.gz SIEARMUAFJURMI-MOPGFXCFSA-N 1 3 362.562 2.934 20 0 FFADHO [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391007719 512914061 /nfs/dbraw/zinc/91/40/61/512914061.db2.gz IOPPWISYMHOMDY-SFTDATJTSA-N 1 3 373.541 2.691 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000376739452 512967212 /nfs/dbraw/zinc/96/72/12/512967212.db2.gz JKGRHXUMHIIMPH-NRFANRHFSA-N 1 3 357.542 2.873 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763146 513089695 /nfs/dbraw/zinc/08/96/95/513089695.db2.gz GCWMUKWSFLBBLB-ICSRJNTNSA-N 1 3 361.555 2.582 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763146 513089701 /nfs/dbraw/zinc/08/97/01/513089701.db2.gz GCWMUKWSFLBBLB-ICSRJNTNSA-N 1 3 361.555 2.582 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417684571 513159698 /nfs/dbraw/zinc/15/96/98/513159698.db2.gz NZZLJEJSQRCFGL-PMACEKPBSA-N 1 3 372.557 2.853 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000417692354 513164909 /nfs/dbraw/zinc/16/49/09/513164909.db2.gz YCAWUOLWEGWZHI-LJQANCHMSA-N 1 3 372.557 2.901 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000450395312 513175682 /nfs/dbraw/zinc/17/56/82/513175682.db2.gz RJICZTHNLLNGOE-HSZRJFAPSA-N 1 3 372.601 2.999 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000450395312 513175688 /nfs/dbraw/zinc/17/56/88/513175688.db2.gz RJICZTHNLLNGOE-HSZRJFAPSA-N 1 3 372.601 2.999 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433912162 513183501 /nfs/dbraw/zinc/18/35/01/513183501.db2.gz MGOUHARORIHLEM-SFNKJDCFSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433912162 513183504 /nfs/dbraw/zinc/18/35/04/513183504.db2.gz MGOUHARORIHLEM-SFNKJDCFSA-N 1 3 350.551 2.669 20 0 FFADHO CN(CC[NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417748793 513195477 /nfs/dbraw/zinc/19/54/77/513195477.db2.gz SVRCUGFHOGEIDT-ZBFHGGJFSA-N 1 3 372.435 2.688 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417816913 513219668 /nfs/dbraw/zinc/21/96/68/513219668.db2.gz DHRAWHKTSOLZIV-XEYPJELSSA-N 1 3 358.530 2.808 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000417818029 513220188 /nfs/dbraw/zinc/22/01/88/513220188.db2.gz FFVDSVFZMBQFEY-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417818396 513220629 /nfs/dbraw/zinc/22/06/29/513220629.db2.gz FIZJSNCTOCUKMU-LSTHTHJFSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417831447 513226670 /nfs/dbraw/zinc/22/66/70/513226670.db2.gz SKTZWYYDAIIFAE-GTAWCEEGSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000428951601 513231888 /nfs/dbraw/zinc/23/18/88/513231888.db2.gz JZPWHCOFPHVUGP-UEXGIBASSA-N 1 3 357.542 2.834 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000417842437 513233118 /nfs/dbraw/zinc/23/31/18/513233118.db2.gz PTIDQZATXXIYSS-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc(C(C)(C)C)nc3)CC2)CC1 ZINC000421369322 513239292 /nfs/dbraw/zinc/23/92/92/513239292.db2.gz HGTUXLLUYJZLQH-UHFFFAOYSA-N 1 3 359.562 2.766 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000417867671 513245600 /nfs/dbraw/zinc/24/56/00/513245600.db2.gz FLWSWYCAQAOLFN-FXAKRSSYSA-N 1 3 356.514 2.574 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000417886336 513255228 /nfs/dbraw/zinc/25/52/28/513255228.db2.gz ZBBJHBHERRITSY-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000417886330 513255673 /nfs/dbraw/zinc/25/56/73/513255673.db2.gz ZBBJHBHERRITSY-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000418005182 513329717 /nfs/dbraw/zinc/32/97/17/513329717.db2.gz DCSBPOLTORLWDP-XLIONFOSSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418023709 513338734 /nfs/dbraw/zinc/33/87/34/513338734.db2.gz BWMYKHCRYGPWQN-FPOVZHCZSA-N 1 3 360.546 2.832 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418023711 513338857 /nfs/dbraw/zinc/33/88/57/513338857.db2.gz BWMYKHCRYGPWQN-PZJWPPBQSA-N 1 3 360.546 2.832 20 0 FFADHO COC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000446819479 513343424 /nfs/dbraw/zinc/34/34/24/513343424.db2.gz YBTVAGNLHYVWCE-NHCUHLMSSA-N 1 3 373.541 2.679 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000418098468 513371679 /nfs/dbraw/zinc/37/16/79/513371679.db2.gz LTIOIOSFGHXUQI-IRXDYDNUSA-N 1 3 350.551 2.526 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418102997 513373889 /nfs/dbraw/zinc/37/38/89/513373889.db2.gz IESRKFUMUNOXTM-HBMCJLEFSA-N 1 3 370.541 2.540 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418132023 513383915 /nfs/dbraw/zinc/38/39/15/513383915.db2.gz DKMDRNSVQOWSTI-FFZOFVMBSA-N 1 3 358.530 2.808 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418129275 513384184 /nfs/dbraw/zinc/38/41/84/513384184.db2.gz BFAATIXMWUUWIO-VQTJNVASSA-N 1 3 360.546 2.912 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418151954 513392663 /nfs/dbraw/zinc/39/26/63/513392663.db2.gz GHXUGCZHKAEEIY-WDSOQIARSA-N 1 3 358.530 2.666 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418155555 513394624 /nfs/dbraw/zinc/39/46/24/513394624.db2.gz LXACAOGPTFRECO-ZCNNSNEGSA-N 1 3 370.541 2.538 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)[C@@H]2C1 ZINC000425059641 513395262 /nfs/dbraw/zinc/39/52/62/513395262.db2.gz SDLRNWGLKRSXBU-CMKODMSKSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)[C@@H]2C1 ZINC000425059641 513395269 /nfs/dbraw/zinc/39/52/69/513395269.db2.gz SDLRNWGLKRSXBU-CMKODMSKSA-N 1 3 359.489 2.590 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418159361 513396881 /nfs/dbraw/zinc/39/68/81/513396881.db2.gz ABKHVLSZBGKCEW-IRXDYDNUSA-N 1 3 352.910 2.726 20 0 FFADHO C[C@@H]1NCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H]1C ZINC000418159946 513398247 /nfs/dbraw/zinc/39/82/47/513398247.db2.gz RRHSMALDKKXEGF-LNLFQRSKSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1NCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H]1C ZINC000418159946 513398251 /nfs/dbraw/zinc/39/82/51/513398251.db2.gz RRHSMALDKKXEGF-LNLFQRSKSA-N 1 3 358.530 2.679 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)C1CC[NH2+]CC1 ZINC000418164850 513400876 /nfs/dbraw/zinc/40/08/76/513400876.db2.gz IRYMPJYTNGDKDW-RDJZCZTQSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418175765 513406470 /nfs/dbraw/zinc/40/64/70/513406470.db2.gz VVVGURIWWVOMPH-JXFKEZNVSA-N 1 3 374.529 2.571 20 0 FFADHO C[C@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000418184196 513409757 /nfs/dbraw/zinc/40/97/57/513409757.db2.gz POYKMOAGODHJEG-HKUYNNGSSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000418200776 513418846 /nfs/dbraw/zinc/41/88/46/513418846.db2.gz YRBUXYKCQAKLIP-GFOJFJKKSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000418210115 513422915 /nfs/dbraw/zinc/42/29/15/513422915.db2.gz SFTILOJRVLCTBG-YJBOKZPZSA-N 1 3 350.507 2.503 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000418247921 513440762 /nfs/dbraw/zinc/44/07/62/513440762.db2.gz RHRNPQJCCGWVMB-OAQYLSRUSA-N 1 3 370.541 2.826 20 0 FFADHO COC1([C@@H](C)[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CCCCC1 ZINC000421825269 513446614 /nfs/dbraw/zinc/44/66/14/513446614.db2.gz MRBQVPOLLNAFDJ-QGZVFWFLSA-N 1 3 361.530 2.805 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415879096 513459639 /nfs/dbraw/zinc/45/96/39/513459639.db2.gz ALLLWWVTINNLHA-UHFFFAOYSA-N 1 3 374.529 2.687 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000415894902 513465975 /nfs/dbraw/zinc/46/59/75/513465975.db2.gz AEPVNUNEAWCMIK-IBGZPJMESA-N 1 3 356.470 2.839 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418338798 513471127 /nfs/dbraw/zinc/47/11/27/513471127.db2.gz DIJWEKFDIWZXIL-NRFANRHFSA-N 1 3 372.557 2.726 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418346090 513475749 /nfs/dbraw/zinc/47/57/49/513475749.db2.gz PMQFPRKUUPNIHJ-VQTJNVASSA-N 1 3 358.530 2.540 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418348182 513477700 /nfs/dbraw/zinc/47/77/00/513477700.db2.gz OFVGCYCSDVWCQN-TZIWHRDSSA-N 1 3 372.557 2.930 20 0 FFADHO COCC(C)(C)N1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000425282583 513489531 /nfs/dbraw/zinc/48/95/31/513489531.db2.gz RRYOITIRCATPCN-UHFFFAOYSA-N 1 3 359.470 2.799 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415971315 513509262 /nfs/dbraw/zinc/50/92/62/513509262.db2.gz JHAKLLVLBKEDFZ-GOSISDBHSA-N 1 3 360.502 2.945 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415971315 513509274 /nfs/dbraw/zinc/50/92/74/513509274.db2.gz JHAKLLVLBKEDFZ-GOSISDBHSA-N 1 3 360.502 2.945 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC[C@H]3C3CC3)CC2)CC1 ZINC000413195095 513512255 /nfs/dbraw/zinc/51/22/55/513512255.db2.gz CGXPEEAKQOLFIR-PXNSSMCTSA-N 1 3 362.562 2.671 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415977322 513513745 /nfs/dbraw/zinc/51/37/45/513513745.db2.gz SJLHSXLHEJRANO-INIZCTEOSA-N 1 3 360.502 2.945 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415977322 513513752 /nfs/dbraw/zinc/51/37/52/513513752.db2.gz SJLHSXLHEJRANO-INIZCTEOSA-N 1 3 360.502 2.945 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415981591 513515796 /nfs/dbraw/zinc/51/57/96/513515796.db2.gz WIOQWOPPHKGSEW-OAHLLOKOSA-N 1 3 353.470 2.887 20 0 FFADHO N[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000418452377 513516996 /nfs/dbraw/zinc/51/69/96/513516996.db2.gz NWLSDUFBGOPAPT-QUCCMNQESA-N 1 3 358.530 2.984 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCCN(C)Cc2ccco2)cc1 ZINC000418464698 513522174 /nfs/dbraw/zinc/52/21/74/513522174.db2.gz PWHHOUKITCLZPH-MRXNPFEDSA-N 1 3 358.486 2.963 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC000418498166 513533254 /nfs/dbraw/zinc/53/32/54/513533254.db2.gz JMUFVQBNNPQCIL-FDFHNCONSA-N 1 3 374.488 2.894 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCC[NH3+] ZINC000418506600 513538449 /nfs/dbraw/zinc/53/84/49/513538449.db2.gz HCSYIJATSYOXJC-UHFFFAOYSA-N 1 3 360.424 2.518 20 0 FFADHO CC1(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC000418514153 513540032 /nfs/dbraw/zinc/54/00/32/513540032.db2.gz HAODPQDVAOSENF-JOCHJYFZSA-N 1 3 370.541 2.684 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CCC[NH2+]C1 ZINC000418538972 513549265 /nfs/dbraw/zinc/54/92/65/513549265.db2.gz LLQWILLFDNAWFX-YADHBBJMSA-N 1 3 370.541 2.684 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000435382453 513570714 /nfs/dbraw/zinc/57/07/14/513570714.db2.gz ZZBKPSQJEPUJCW-VBNZEHGJSA-N 1 3 358.438 2.787 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000430221852 513590974 /nfs/dbraw/zinc/59/09/74/513590974.db2.gz UNMWXQWWXVPCBW-RZUBCFFCSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@]3(C)CCC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000430221852 513590983 /nfs/dbraw/zinc/59/09/83/513590983.db2.gz UNMWXQWWXVPCBW-RZUBCFFCSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000422139017 513593920 /nfs/dbraw/zinc/59/39/20/513593920.db2.gz KWEBKVSTGHUEOI-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000422139017 513593926 /nfs/dbraw/zinc/59/39/26/513593926.db2.gz KWEBKVSTGHUEOI-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000422139016 513594121 /nfs/dbraw/zinc/59/41/21/513594121.db2.gz KWEBKVSTGHUEOI-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000422139016 513594124 /nfs/dbraw/zinc/59/41/24/513594124.db2.gz KWEBKVSTGHUEOI-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000416144558 513596808 /nfs/dbraw/zinc/59/68/08/513596808.db2.gz JKLOYRUFKZYIFI-OAQYLSRUSA-N 1 3 355.526 2.912 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418690901 513613635 /nfs/dbraw/zinc/61/36/35/513613635.db2.gz HKWVPYMYGSPDCW-MJGOQNOKSA-N 1 3 361.534 2.595 20 0 FFADHO CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418717332 513621753 /nfs/dbraw/zinc/62/17/53/513621753.db2.gz HCVFBIXOCZQNFN-OAHLLOKOSA-N 1 3 360.424 2.516 20 0 FFADHO CN1CC[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000416176036 513623544 /nfs/dbraw/zinc/62/35/44/513623544.db2.gz CPJNUURKTDOYQO-JTHBVZDNSA-N 1 3 363.505 2.996 20 0 FFADHO CN1CC[C@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000416176036 513623548 /nfs/dbraw/zinc/62/35/48/513623548.db2.gz CPJNUURKTDOYQO-JTHBVZDNSA-N 1 3 363.505 2.996 20 0 FFADHO CN1C[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000416184933 513630731 /nfs/dbraw/zinc/63/07/31/513630731.db2.gz RGAADQATQLRAOB-HKBOAZHASA-N 1 3 351.494 2.893 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418749495 513637869 /nfs/dbraw/zinc/63/78/69/513637869.db2.gz MHALQYRETLCJEI-VQTJNVASSA-N 1 3 373.545 2.610 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000418761393 513645544 /nfs/dbraw/zinc/64/55/44/513645544.db2.gz FUPRRYNJCRVCGB-SJORKVTESA-N 1 3 352.910 2.774 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000418786445 513657495 /nfs/dbraw/zinc/65/74/95/513657495.db2.gz ICEAUNTUTFQODH-GFOJFJKKSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418799177 513661345 /nfs/dbraw/zinc/66/13/45/513661345.db2.gz TWPBLYGNDQZILJ-CWJKEVGVSA-N 1 3 370.541 2.538 20 0 FFADHO C[NH+](C)[C@H](CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccccc1 ZINC000416234392 513663280 /nfs/dbraw/zinc/66/32/80/513663280.db2.gz NVDPJAKSAIQYIL-LEWJYISDSA-N 1 3 367.493 2.885 20 0 FFADHO [NH3+]CCCOC1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000430578957 513695484 /nfs/dbraw/zinc/69/54/84/513695484.db2.gz ZQWNAHBFUYLJJL-UHFFFAOYSA-N 1 3 355.482 2.990 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCC[C@H]1C ZINC000448201040 513704331 /nfs/dbraw/zinc/70/43/31/513704331.db2.gz RIJLQPLCQNZXPM-MLYOOKFZSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCC[C@H]1C ZINC000448201040 513704338 /nfs/dbraw/zinc/70/43/38/513704338.db2.gz RIJLQPLCQNZXPM-MLYOOKFZSA-N 1 3 362.562 2.908 20 0 FFADHO COc1cc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000416342904 513723276 /nfs/dbraw/zinc/72/32/76/513723276.db2.gz QNFLKASITJUJOA-OWCLPIDISA-N 1 3 363.502 2.835 20 0 FFADHO C[C@@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H](N)c1ccccc1 ZINC000430797618 513750692 /nfs/dbraw/zinc/75/06/92/513750692.db2.gz FFANCNZKPULMAG-OXQOHEQNSA-N 1 3 351.494 2.538 20 0 FFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC3 ZINC000442869904 513800621 /nfs/dbraw/zinc/80/06/21/513800621.db2.gz QFNJQZCXWPHGLS-QGZVFWFLSA-N 1 3 354.542 2.949 20 0 FFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431032263 513810825 /nfs/dbraw/zinc/81/08/25/513810825.db2.gz ILXKJFRIFRMAHT-IRXDYDNUSA-N 1 3 356.514 2.840 20 0 FFADHO CN(C)[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000442957608 513827496 /nfs/dbraw/zinc/82/74/96/513827496.db2.gz UDILHYACCKKOBP-RZUBCFFCSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000442957608 513827502 /nfs/dbraw/zinc/82/75/02/513827502.db2.gz UDILHYACCKKOBP-RZUBCFFCSA-N 1 3 355.526 2.841 20 0 FFADHO Cc1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)n(C2CCN(C)CC2)n1 ZINC000431127518 513834916 /nfs/dbraw/zinc/83/49/16/513834916.db2.gz KAHORODTOGMBMA-UHFFFAOYSA-N 1 3 374.533 2.550 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@@H](CC[NH3+])C1 ZINC000443061405 513859442 /nfs/dbraw/zinc/85/94/42/513859442.db2.gz RRLBSYDYHBLIDU-KBPBESRZSA-N 1 3 355.885 2.887 20 0 FFADHO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443064136 513861218 /nfs/dbraw/zinc/86/12/18/513861218.db2.gz BXKKFTXBHVGWDS-JKSUJKDBSA-N 1 3 367.921 2.627 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H](CC[NH3+])C3)ccc2c1 ZINC000443073774 513864837 /nfs/dbraw/zinc/86/48/37/513864837.db2.gz PSCHBZIJSGJGDF-KRWDZBQOSA-N 1 3 369.509 2.868 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)[C@@H](C)C1 ZINC000426341698 513907885 /nfs/dbraw/zinc/90/78/85/513907885.db2.gz FDDNKQQUXMJFHX-FXAWDEMLSA-N 1 3 371.525 2.765 20 0 FFADHO COCCN(C)CCOc1cccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422713224 513911173 /nfs/dbraw/zinc/91/11/73/513911173.db2.gz PMNOEMYHBADXEY-FCHUYYIVSA-N 1 3 369.509 2.878 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422729352 513915965 /nfs/dbraw/zinc/91/59/65/513915965.db2.gz KPBAMOPTHXMWHC-PYTWLRIVSA-N 1 3 373.419 2.506 20 0 FFADHO O=C1CCCCCN1CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422759445 513924186 /nfs/dbraw/zinc/92/41/86/513924186.db2.gz PARPQXUDQIPUFT-WIYYLYMNSA-N 1 3 357.498 2.625 20 0 FFADHO CN(c1ccccc1CN1CCc2cc[nH]c(=O)c2C1)C1CC[NH+](C)CC1 ZINC000426391536 513926423 /nfs/dbraw/zinc/92/64/23/513926423.db2.gz QYUWLJJLLMVIIT-UHFFFAOYSA-N 1 3 366.509 2.876 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000422775452 513929131 /nfs/dbraw/zinc/92/91/31/513929131.db2.gz AGZBXURDLZNBPL-KBPBESRZSA-N 1 3 358.452 2.673 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443309613 513930412 /nfs/dbraw/zinc/93/04/12/513930412.db2.gz HDNWZMHNEYEJNY-WOIUINJBSA-N 1 3 353.510 2.642 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443309613 513930420 /nfs/dbraw/zinc/93/04/20/513930420.db2.gz HDNWZMHNEYEJNY-WOIUINJBSA-N 1 3 353.510 2.642 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422786586 513931818 /nfs/dbraw/zinc/93/18/18/513931818.db2.gz SSIQZWXNVUYMSS-AYOQOUSVSA-N 1 3 351.922 2.691 20 0 FFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422856295 513954216 /nfs/dbraw/zinc/95/42/16/513954216.db2.gz WTCXPCSZDCWKRO-CGTJXYLNSA-N 1 3 371.447 2.796 20 0 FFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422870050 513957507 /nfs/dbraw/zinc/95/75/07/513957507.db2.gz YGYWOHPCTCIIPR-WJFTUGDTSA-N 1 3 351.560 2.878 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416784514 513966095 /nfs/dbraw/zinc/96/60/95/513966095.db2.gz JLMXPRWDFFHCTN-NHCUHLMSSA-N 1 3 370.541 2.855 20 0 FFADHO COc1ccc(Cl)cc1C1(CN[C@@H](C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000422896724 513968046 /nfs/dbraw/zinc/96/80/46/513968046.db2.gz ARGWXEYQVCGBMG-GJZGRUSLSA-N 1 3 352.906 2.984 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000422896452 513968809 /nfs/dbraw/zinc/96/88/09/513968809.db2.gz IHIJBURJFWPTCR-RYQLBKOJSA-N 1 3 360.498 2.959 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416791205 513969402 /nfs/dbraw/zinc/96/94/02/513969402.db2.gz WAAMJHXKRJGREA-PZJWPPBQSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901401 513969870 /nfs/dbraw/zinc/96/98/70/513969870.db2.gz BYIFBQKTMLTLCV-UHEFJODHSA-N 1 3 369.912 2.785 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901401 513969873 /nfs/dbraw/zinc/96/98/73/513969873.db2.gz BYIFBQKTMLTLCV-UHEFJODHSA-N 1 3 369.912 2.785 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422905319 513971783 /nfs/dbraw/zinc/97/17/83/513971783.db2.gz ZATVCTKFIBYDHV-CPUCHLNUSA-N 1 3 352.320 2.863 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000422924035 513977284 /nfs/dbraw/zinc/97/72/84/513977284.db2.gz XLZDUUGZTHNUDY-SKRQURTPSA-N 1 3 364.493 2.656 20 0 FFADHO [NH3+][C@H]1CCCCC[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422926263 513978948 /nfs/dbraw/zinc/97/89/48/513978948.db2.gz CLFXLZVYMBPBCI-RBUKOAKNSA-N 1 3 350.938 2.712 20 0 FFADHO CC(C)(CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCCCC1 ZINC000416827571 513985236 /nfs/dbraw/zinc/98/52/36/513985236.db2.gz LAQAJRCUTDIPCJ-KRWDZBQOSA-N 1 3 350.551 2.671 20 0 FFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422953566 513991230 /nfs/dbraw/zinc/99/12/30/513991230.db2.gz FQUKUNMJCLYRTB-VAMGGRTRSA-N 1 3 361.555 2.804 20 0 FFADHO C[C@@H]1[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@@H]1c1ccccc1 ZINC000414182723 514001983 /nfs/dbraw/zinc/00/19/83/514001983.db2.gz DGXDBNBVVBWDDT-SESVDKBCSA-N 1 3 357.542 2.565 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416852320 514003899 /nfs/dbraw/zinc/00/38/99/514003899.db2.gz MKMVPSHRJYIRHF-AZUAARDMSA-N 1 3 374.529 2.664 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416855374 514006017 /nfs/dbraw/zinc/00/60/17/514006017.db2.gz PYNQHBVYSDADLE-PXNSSMCTSA-N 1 3 374.529 2.521 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414194100 514006414 /nfs/dbraw/zinc/00/64/14/514006414.db2.gz NFVKNPYDHOKZOU-FGZHOGPDSA-N 1 3 371.569 2.883 20 0 FFADHO COc1ccc(C[C@H](C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000423022904 514011266 /nfs/dbraw/zinc/01/12/66/514011266.db2.gz INQLXHPUZSNXOP-DSLXNQLJSA-N 1 3 362.514 2.629 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426677569 514013165 /nfs/dbraw/zinc/01/31/65/514013165.db2.gz MPRDUCFSGPVCRX-CTNGQTDRSA-N 1 3 355.526 2.984 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426677569 514013172 /nfs/dbraw/zinc/01/31/72/514013172.db2.gz MPRDUCFSGPVCRX-CTNGQTDRSA-N 1 3 355.526 2.984 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](CCOC)c2ccc(C)o2)CC[NH2+]CC1 ZINC000423040626 514015953 /nfs/dbraw/zinc/01/59/53/514015953.db2.gz HQWZQUUBHBVICI-HOTGVXAUSA-N 1 3 352.475 2.577 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@H]3CC[NH2+]CC[C@@H]3C)nc12 ZINC000423041411 514016960 /nfs/dbraw/zinc/01/69/60/514016960.db2.gz XABLNBGXVKRIPU-LRDDRELGSA-N 1 3 365.319 2.925 20 0 FFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCNCC[C@@H]3C)nc12 ZINC000423041411 514016962 /nfs/dbraw/zinc/01/69/62/514016962.db2.gz XABLNBGXVKRIPU-LRDDRELGSA-N 1 3 365.319 2.925 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423073367 514028426 /nfs/dbraw/zinc/02/84/26/514028426.db2.gz REHZIIUZLGQNGI-ZGMNHVEMSA-N 1 3 358.313 2.914 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000416903246 514036103 /nfs/dbraw/zinc/03/61/03/514036103.db2.gz MWZQMFNKUXAKRT-GOSISDBHSA-N 1 3 358.530 2.814 20 0 FFADHO O=C(N1CCCC1)N1CCC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423105509 514042072 /nfs/dbraw/zinc/04/20/72/514042072.db2.gz NQGPWVVTEHBCGN-SLFFLAALSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(O)c1 ZINC000414324107 514048684 /nfs/dbraw/zinc/04/86/84/514048684.db2.gz JYOHMLZJFWRMSB-MRXNPFEDSA-N 1 3 367.493 2.940 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000426819558 514048827 /nfs/dbraw/zinc/04/88/27/514048827.db2.gz IJZVEVZCMWQHEA-CALCHBBNSA-N 1 3 354.535 2.930 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1Br ZINC000423148992 514060745 /nfs/dbraw/zinc/06/07/45/514060745.db2.gz ACJTVUUHRYHHMA-UWWQBHOKSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCNCC[C@H]2C)cc1Br ZINC000423148992 514060752 /nfs/dbraw/zinc/06/07/52/514060752.db2.gz ACJTVUUHRYHHMA-UWWQBHOKSA-N 1 3 369.347 2.886 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449080194 514063111 /nfs/dbraw/zinc/06/31/11/514063111.db2.gz UAWJIIDIFOQUGA-SFTDATJTSA-N 1 3 372.601 2.698 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3CCCCC[C@@H]3N)CC2)cc1 ZINC000423160237 514065025 /nfs/dbraw/zinc/06/50/25/514065025.db2.gz ZJNIIHOKHHAUOB-LEWJYISDSA-N 1 3 358.530 2.859 20 0 FFADHO Brc1cccc2c1OCCC[C@@H]2NCCCN1CC[NH2+]CC1 ZINC000423175318 514069335 /nfs/dbraw/zinc/06/93/35/514069335.db2.gz DQQCFIKZEDHRJK-INIZCTEOSA-N 1 3 368.319 2.548 20 0 FFADHO C[C@H](C[NH3+])N(C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416966614 514072155 /nfs/dbraw/zinc/07/21/55/514072155.db2.gz VWNATJDZVIVECX-MRXNPFEDSA-N 1 3 354.498 2.904 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000416971406 514077233 /nfs/dbraw/zinc/07/72/33/514077233.db2.gz GTKPWKHTYNILHZ-XLIONFOSSA-N 1 3 358.530 2.776 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000420297120 514078792 /nfs/dbraw/zinc/07/87/92/514078792.db2.gz QXEOSVRRCGQEMR-ACJLOTCBSA-N 1 3 351.441 2.515 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CCN(CCc3ccccc3)CC2)cc1 ZINC000420310841 514086486 /nfs/dbraw/zinc/08/64/86/514086486.db2.gz VFZVEFWIMIMAFJ-OAQYLSRUSA-N 1 3 353.510 2.598 20 0 FFADHO Cc1cc(C)c(CCNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420325997 514093991 /nfs/dbraw/zinc/09/39/91/514093991.db2.gz IWNKZNLQTDQWMJ-WOJBJXKFSA-N 1 3 357.542 2.592 20 0 FFADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423265021 514096212 /nfs/dbraw/zinc/09/62/12/514096212.db2.gz AORPPZFIRNXZKS-VNQPRFMTSA-N 1 3 373.950 2.806 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000423290756 514101486 /nfs/dbraw/zinc/10/14/86/514101486.db2.gz FIDVUJQIQCPBLT-YJYMSZOUSA-N 1 3 359.495 2.521 20 0 FFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345379 514104311 /nfs/dbraw/zinc/10/43/11/514104311.db2.gz WASBTTRKDYREHU-JFIYKMOQSA-N 1 3 361.555 2.905 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)c1ccsc1 ZINC000416999180 514105288 /nfs/dbraw/zinc/10/52/88/514105288.db2.gz BQFAKDQMYKENLS-NVXWUHKLSA-N 1 3 352.548 2.772 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@H]1C ZINC000444035347 514106023 /nfs/dbraw/zinc/10/60/23/514106023.db2.gz VQHVECODQJXWFB-AEFFLSMTSA-N 1 3 362.518 2.964 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@H]1C ZINC000444035347 514106026 /nfs/dbraw/zinc/10/60/26/514106026.db2.gz VQHVECODQJXWFB-AEFFLSMTSA-N 1 3 362.518 2.964 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000423343856 514112971 /nfs/dbraw/zinc/11/29/71/514112971.db2.gz XKKGGLWBAXGGSM-LJQANCHMSA-N 1 3 355.486 2.902 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000423340944 514113707 /nfs/dbraw/zinc/11/37/07/514113707.db2.gz JREODXMRWWEQIE-SCTDSRPQSA-N 1 3 361.530 2.718 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417009012 514113779 /nfs/dbraw/zinc/11/37/79/514113779.db2.gz JRSZKDTXAVYVLR-DBVUQKKJSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000423340945 514114027 /nfs/dbraw/zinc/11/40/27/514114027.db2.gz JREODXMRWWEQIE-ZHALLVOQSA-N 1 3 361.530 2.718 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000417013262 514118704 /nfs/dbraw/zinc/11/87/04/514118704.db2.gz YMXDATFAVPQKRU-SJORKVTESA-N 1 3 352.548 2.915 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2cc(F)cc(Br)c2)CC1 ZINC000449223922 514119716 /nfs/dbraw/zinc/11/97/16/514119716.db2.gz PGSXSSBHQMXMGR-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCCc2ccc(OCCN(C)C)cc2)cc1 ZINC000423371412 514120185 /nfs/dbraw/zinc/12/01/85/514120185.db2.gz FNMSIOQIKXPURP-MRXNPFEDSA-N 1 3 355.482 2.619 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417020463 514125340 /nfs/dbraw/zinc/12/53/40/514125340.db2.gz JDGAIHZYTQQSCI-LEWJYISDSA-N 1 3 370.541 2.997 20 0 FFADHO Cc1cc(C)c2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423396031 514128470 /nfs/dbraw/zinc/12/84/70/514128470.db2.gz SXVJSTUWIBDXFR-IAGOWNOFSA-N 1 3 371.447 2.943 20 0 FFADHO COCC1(CN[C@H](C)c2ncc(Br)cc2F)CC[NH2+]CC1 ZINC000423403011 514130092 /nfs/dbraw/zinc/13/00/92/514130092.db2.gz HLVFXZRXAZTGFO-LLVKDONJSA-N 1 3 360.271 2.650 20 0 FFADHO Cc1cc2c(cc1C)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423401956 514130328 /nfs/dbraw/zinc/13/03/28/514130328.db2.gz XVDNOJDBQGXHMG-WMZOPIPTSA-N 1 3 371.447 2.943 20 0 FFADHO NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423518867 514158826 /nfs/dbraw/zinc/15/88/26/514158826.db2.gz PJBRFIMJAFQBCK-WOJBJXKFSA-N 1 3 373.522 2.781 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000417086285 514161436 /nfs/dbraw/zinc/16/14/36/514161436.db2.gz DVGYJVDSZWQAAJ-WMZOPIPTSA-N 1 3 358.530 2.592 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417086539 514161567 /nfs/dbraw/zinc/16/15/67/514161567.db2.gz FSSLUKDPXYUEEY-PKOBYXMFSA-N 1 3 358.530 2.640 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417090685 514163410 /nfs/dbraw/zinc/16/34/10/514163410.db2.gz XWAKULDQFJTGSA-NJDAHSKKSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H](CN1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449325938 514166734 /nfs/dbraw/zinc/16/67/34/514166734.db2.gz QRCBIKMHLVQGNC-VQIMIIECSA-N 1 3 364.555 2.857 20 0 FFADHO Cc1cccn2c(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cnc12 ZINC000414551518 514175575 /nfs/dbraw/zinc/17/55/75/514175575.db2.gz PEULNDMUIYUPLN-UHFFFAOYSA-N 1 3 364.493 2.759 20 0 FFADHO C[C@@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000449352042 514176408 /nfs/dbraw/zinc/17/64/08/514176408.db2.gz RXVKBXHXKCDEBL-AVRDEDQJSA-N 1 3 351.494 2.554 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1(C[NH3+])CC1 ZINC000423643232 514191381 /nfs/dbraw/zinc/19/13/81/514191381.db2.gz MGRAPFUNNJEJBG-UHFFFAOYSA-N 1 3 357.420 2.725 20 0 FFADHO COCCOC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000449393346 514193576 /nfs/dbraw/zinc/19/35/76/514193576.db2.gz MQMQZAUJOPGDTC-AZUAARDMSA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000449393346 514193578 /nfs/dbraw/zinc/19/35/78/514193578.db2.gz MQMQZAUJOPGDTC-AZUAARDMSA-N 1 3 368.562 2.831 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C1CCN(C2CC2)CC1 ZINC000423701913 514206716 /nfs/dbraw/zinc/20/67/16/514206716.db2.gz WYNDOODRRDQQJJ-XLIONFOSSA-N 1 3 359.489 2.509 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417179374 514213889 /nfs/dbraw/zinc/21/38/89/514213889.db2.gz FOJSBDAIHCAICX-PMACEKPBSA-N 1 3 372.557 2.579 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423739780 514215622 /nfs/dbraw/zinc/21/56/22/514215622.db2.gz IENCBMZGKUYVLM-HXUWFJFHSA-N 1 3 369.513 2.532 20 0 FFADHO NC[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000423785847 514228153 /nfs/dbraw/zinc/22/81/53/514228153.db2.gz AIWRXERABXBMTQ-FQEVSTJZSA-N 1 3 361.505 2.983 20 0 FFADHO CC(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)NCCN(C)C ZINC000437787540 514236095 /nfs/dbraw/zinc/23/60/95/514236095.db2.gz QSUVHUDPGKELBF-ILXRZTDVSA-N 1 3 351.457 2.790 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000414675971 514236165 /nfs/dbraw/zinc/23/61/65/514236165.db2.gz HAPMUVAVDLQGSO-OAHLLOKOSA-N 1 3 372.538 2.673 20 0 FFADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](N)C3CCOCC3)c2)CC1 ZINC000423835363 514256028 /nfs/dbraw/zinc/25/60/28/514256028.db2.gz DLAACTWATSBENJ-FQEVSTJZSA-N 1 3 359.514 2.653 20 0 FFADHO C[C@H](CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423850860 514263308 /nfs/dbraw/zinc/26/33/08/514263308.db2.gz QARFXCQSDOTZHP-ZHALLVOQSA-N 1 3 358.530 2.749 20 0 FFADHO C[C@@H]1C[C@@H](CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414741641 514267209 /nfs/dbraw/zinc/26/72/09/514267209.db2.gz SHZAVYWEXVQCEN-SJORKVTESA-N 1 3 351.922 2.725 20 0 FFADHO CC1(c2ccc(Cl)cc2)CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414751343 514273026 /nfs/dbraw/zinc/27/30/26/514273026.db2.gz IOXOGYHSMMCOGN-MRXNPFEDSA-N 1 3 363.933 2.891 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)c(C)c2)CC1 ZINC000414751910 514274313 /nfs/dbraw/zinc/27/43/13/514274313.db2.gz OGVFDSSQSCNSET-FQEVSTJZSA-N 1 3 361.534 2.632 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H](C)[C@H]3C[NH3+])c(C)c2)CC1 ZINC000414755232 514275782 /nfs/dbraw/zinc/27/57/82/514275782.db2.gz SYUKDIXDZGLJAJ-OXJNMPFZSA-N 1 3 373.545 2.728 20 0 FFADHO COc1cc(CN2CCC[C@H](OC)C2)cc(C[N@@H+]2CCC[C@H](OC)C2)c1 ZINC000432769616 514280961 /nfs/dbraw/zinc/28/09/61/514280961.db2.gz CRNHYXAEEWGGOK-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN2CCC[C@H](OC)C2)cc(C[N@H+]2CCC[C@H](OC)C2)c1 ZINC000432769616 514280969 /nfs/dbraw/zinc/28/09/69/514280969.db2.gz CRNHYXAEEWGGOK-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414792272 514296921 /nfs/dbraw/zinc/29/69/21/514296921.db2.gz CBBXOVMAWIVREP-ALKREAHSSA-N 1 3 372.513 2.859 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414792272 514296927 /nfs/dbraw/zinc/29/69/27/514296927.db2.gz CBBXOVMAWIVREP-ALKREAHSSA-N 1 3 372.513 2.859 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417364084 514313514 /nfs/dbraw/zinc/31/35/14/514313514.db2.gz LFBIJKPSLPREGA-KRWDZBQOSA-N 1 3 362.543 2.569 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417374663 514320382 /nfs/dbraw/zinc/32/03/82/514320382.db2.gz YISNZMFXJDPYJE-HZPDHXFCSA-N 1 3 352.548 2.633 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3C[C@@H](C)NC[C@H]3C)c2)CC1 ZINC000417468541 514367704 /nfs/dbraw/zinc/36/77/04/514367704.db2.gz OVJZQEVJVVGUKZ-QZTJIDSGSA-N 1 3 358.530 2.810 20 0 FFADHO COCC1(CNCc2c(F)ccc(Br)c2F)CC[NH2+]CC1 ZINC000414980225 514384313 /nfs/dbraw/zinc/38/43/13/514384313.db2.gz VZZWEDCCZFMJKJ-UHFFFAOYSA-N 1 3 363.246 2.833 20 0 FFADHO C[C@@](C[NH3+])(NC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CC1 ZINC000415072557 514428910 /nfs/dbraw/zinc/42/89/10/514428910.db2.gz WRIFWLVZGXLVMO-IBGZPJMESA-N 1 3 362.543 2.527 20 0 FFADHO C[C@H](CC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(C(F)(F)F)c1 ZINC000415085093 514436336 /nfs/dbraw/zinc/43/63/36/514436336.db2.gz HWGXARIHSFCBBC-CABCVRRESA-N 1 3 371.447 2.986 20 0 FFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000438797895 514443695 /nfs/dbraw/zinc/44/36/95/514443695.db2.gz VQWFIQJPPUKBIR-LJQANCHMSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)N(C)Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000424283240 514446022 /nfs/dbraw/zinc/44/60/22/514446022.db2.gz BCXAKLIBZFKLQF-CQSZACIVSA-N 1 3 367.896 2.902 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@H]3CCC[N@@H+]3C)c(C)c2)CC1 ZINC000421035754 514452159 /nfs/dbraw/zinc/45/21/59/514452159.db2.gz DSLVDTWWKJEFKO-LJQANCHMSA-N 1 3 373.545 2.695 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@H]3CCC[N@H+]3C)c(C)c2)CC1 ZINC000421035754 514452166 /nfs/dbraw/zinc/45/21/66/514452166.db2.gz DSLVDTWWKJEFKO-LJQANCHMSA-N 1 3 373.545 2.695 20 0 FFADHO COCCCOc1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415120315 514452804 /nfs/dbraw/zinc/45/28/04/514452804.db2.gz GLZRNUMYGDVJOG-CTNGQTDRSA-N 1 3 362.514 2.820 20 0 FFADHO CN(C)CC[NH+]1CCC(CNCc2ncc(C(F)(F)F)s2)CC1 ZINC000433310695 514453820 /nfs/dbraw/zinc/45/38/20/514453820.db2.gz DDOVTJYRYUNFCU-UHFFFAOYSA-N 1 3 350.454 2.525 20 0 FFADHO CN(C)c1ccccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415128102 514457897 /nfs/dbraw/zinc/45/78/97/514457897.db2.gz JOLPNUBTPHWTNY-UHFFFAOYSA-N 1 3 352.526 2.836 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000433375475 514475583 /nfs/dbraw/zinc/47/55/83/514475583.db2.gz LMIGHTPYRIIPQO-GGPKGHCWSA-N 1 3 361.530 2.685 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433571077 514517155 /nfs/dbraw/zinc/51/71/55/514517155.db2.gz OECNOANWDCMKJG-FUHWJXTLSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433571077 514517163 /nfs/dbraw/zinc/51/71/63/514517163.db2.gz OECNOANWDCMKJG-FUHWJXTLSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433570002 514517776 /nfs/dbraw/zinc/51/77/76/514517776.db2.gz UMHNYTFIFMYLOS-IEBWSBKVSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433570002 514517786 /nfs/dbraw/zinc/51/77/86/514517786.db2.gz UMHNYTFIFMYLOS-IEBWSBKVSA-N 1 3 350.551 2.957 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)CO2 ZINC000453056461 514531054 /nfs/dbraw/zinc/53/10/54/514531054.db2.gz CFFAZZVSZZNRSX-GOSISDBHSA-N 1 3 356.466 2.729 20 0 FFADHO COc1ccc2c(c1)C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)CO2 ZINC000453056461 514531060 /nfs/dbraw/zinc/53/10/60/514531060.db2.gz CFFAZZVSZZNRSX-GOSISDBHSA-N 1 3 356.466 2.729 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453085595 514539700 /nfs/dbraw/zinc/53/97/00/514539700.db2.gz OPXNIYFXRNIURF-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C ZINC000466042084 514545832 /nfs/dbraw/zinc/54/58/32/514545832.db2.gz XNEXEPOIXBRBLJ-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475142503 514570799 /nfs/dbraw/zinc/57/07/99/514570799.db2.gz ZBEHKRONBFHPPB-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475142503 514570808 /nfs/dbraw/zinc/57/08/08/514570808.db2.gz ZBEHKRONBFHPPB-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000458128248 514580244 /nfs/dbraw/zinc/58/02/44/514580244.db2.gz NKMUWJAQJYNINI-IBGZPJMESA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C(C)C ZINC000458137855 514583153 /nfs/dbraw/zinc/58/31/53/514583153.db2.gz VTFJKSIFBFBSBZ-PMACEKPBSA-N 1 3 364.578 2.867 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466238709 514586273 /nfs/dbraw/zinc/58/62/73/514586273.db2.gz RNTRPVLJBAKEIL-HPFXQQBRSA-N 1 3 350.551 2.525 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466238709 514586275 /nfs/dbraw/zinc/58/62/75/514586275.db2.gz RNTRPVLJBAKEIL-HPFXQQBRSA-N 1 3 350.551 2.525 20 0 FFADHO COc1cc(C)c(C[C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000502289868 514607414 /nfs/dbraw/zinc/60/74/14/514607414.db2.gz XJHSXZBDTSNQRI-HKUYNNGSSA-N 1 3 364.530 2.626 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453419613 514627236 /nfs/dbraw/zinc/62/72/36/514627236.db2.gz DBWKOCUEUQQPQC-HJNYFJLDSA-N 1 3 362.558 2.933 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453419613 514627241 /nfs/dbraw/zinc/62/72/41/514627241.db2.gz DBWKOCUEUQQPQC-HJNYFJLDSA-N 1 3 362.558 2.933 20 0 FFADHO CN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475363508 514634868 /nfs/dbraw/zinc/63/48/68/514634868.db2.gz DNQUELCLZYNCJM-KBWCOIMZSA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466500160 514665827 /nfs/dbraw/zinc/66/58/27/514665827.db2.gz QKKSWTLTRYEBLK-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466500160 514665836 /nfs/dbraw/zinc/66/58/36/514665836.db2.gz QKKSWTLTRYEBLK-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000466515749 514669940 /nfs/dbraw/zinc/66/99/40/514669940.db2.gz PDZJEYQBVSDZRL-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1 ZINC000502498270 514670902 /nfs/dbraw/zinc/67/09/02/514670902.db2.gz VBKSLVOZHPVWLD-IXDOHACOSA-N 1 3 369.456 2.546 20 0 FFADHO C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000466525474 514675264 /nfs/dbraw/zinc/67/52/64/514675264.db2.gz IMRSIEUZQFVOJI-AOIWGVFYSA-N 1 3 360.546 2.925 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000489071354 514693284 /nfs/dbraw/zinc/69/32/84/514693284.db2.gz IXIQQEGBVWRGSL-QFUCXCTJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000489071354 514693291 /nfs/dbraw/zinc/69/32/91/514693291.db2.gz IXIQQEGBVWRGSL-QFUCXCTJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)C1 ZINC000489080112 514699384 /nfs/dbraw/zinc/69/93/84/514699384.db2.gz SWQSCQQSTXSWPA-BSDSXHPESA-N 1 3 352.567 2.725 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)[C@@H]2C1 ZINC000498105468 514761933 /nfs/dbraw/zinc/76/19/33/514761933.db2.gz BGFJGHDJCBAVGG-GHTZIAJQSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCCO1 ZINC000455844968 514777997 /nfs/dbraw/zinc/77/79/97/514777997.db2.gz HOJBUIHIECTXCT-OXJNMPFZSA-N 1 3 374.529 2.858 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000484745658 514778460 /nfs/dbraw/zinc/77/84/60/514778460.db2.gz PBSJFMSPLAQCNY-UTKZUKDTSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000484745659 514779436 /nfs/dbraw/zinc/77/94/36/514779436.db2.gz PBSJFMSPLAQCNY-UWJYYQICSA-N 1 3 370.541 2.823 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c(C)c2)CC1 ZINC000498195551 514797855 /nfs/dbraw/zinc/79/78/55/514797855.db2.gz LMOFPCHBSWTGIM-GHTZIAJQSA-N 1 3 358.530 2.983 20 0 FFADHO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H](N)CC(F)F ZINC000498202564 514801559 /nfs/dbraw/zinc/80/15/59/514801559.db2.gz VDDFSTQPNGXSTB-JKSUJKDBSA-N 1 3 353.457 2.558 20 0 FFADHO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H](N)CC(F)F ZINC000498202564 514801566 /nfs/dbraw/zinc/80/15/66/514801566.db2.gz VDDFSTQPNGXSTB-JKSUJKDBSA-N 1 3 353.457 2.558 20 0 FFADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000498207289 514804512 /nfs/dbraw/zinc/80/45/12/514804512.db2.gz WWWPXARZJQROPW-RBBKRZOGSA-N 1 3 372.557 2.613 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H](C)C1 ZINC000489352696 514810087 /nfs/dbraw/zinc/81/00/87/514810087.db2.gz BVABNHFYIXFNGV-ONCXSQPRSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)C1 ZINC000489352696 514810098 /nfs/dbraw/zinc/81/00/98/514810098.db2.gz BVABNHFYIXFNGV-ONCXSQPRSA-N 1 3 362.562 2.623 20 0 FFADHO CN(C)[C@]1(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCSC1 ZINC000455944739 514854279 /nfs/dbraw/zinc/85/42/79/514854279.db2.gz VWJSRFOWLPCDTD-HKUYNNGSSA-N 1 3 362.543 2.794 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471389992 514860895 /nfs/dbraw/zinc/86/08/95/514860895.db2.gz DSYMSYZPEGRVPL-UHFFFAOYSA-N 1 3 351.494 2.813 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471389992 514860908 /nfs/dbraw/zinc/86/09/08/514860908.db2.gz DSYMSYZPEGRVPL-UHFFFAOYSA-N 1 3 351.494 2.813 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000462086809 514874784 /nfs/dbraw/zinc/87/47/84/514874784.db2.gz YMNPTZXNILNVKI-HXUWFJFHSA-N 1 3 372.557 2.823 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000462086809 514874793 /nfs/dbraw/zinc/87/47/93/514874793.db2.gz YMNPTZXNILNVKI-HXUWFJFHSA-N 1 3 372.557 2.823 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000498410924 514902125 /nfs/dbraw/zinc/90/21/25/514902125.db2.gz COXYRUJJVOGJSQ-IBGZPJMESA-N 1 3 364.509 2.850 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1)N(C)C ZINC000508848083 514917208 /nfs/dbraw/zinc/91/72/08/514917208.db2.gz BMXSZHPLBCVZEK-FXAWDEMLSA-N 1 3 360.546 2.969 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCc1nnnn1-c1ccccc1 ZINC000503180838 514946045 /nfs/dbraw/zinc/94/60/45/514946045.db2.gz CZORRMHFOXNSES-MJGOQNOKSA-N 1 3 356.518 2.695 20 0 FFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000503180838 514946051 /nfs/dbraw/zinc/94/60/51/514946051.db2.gz CZORRMHFOXNSES-MJGOQNOKSA-N 1 3 356.518 2.695 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)N(C)C)cc1 ZINC000458643410 514983169 /nfs/dbraw/zinc/98/31/69/514983169.db2.gz JPYADNNQYAKIKK-WBAXXEDZSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)N(C)C)cc1 ZINC000458643410 514983172 /nfs/dbraw/zinc/98/31/72/514983172.db2.gz JPYADNNQYAKIKK-WBAXXEDZSA-N 1 3 364.559 2.793 20 0 FFADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489846423 514997369 /nfs/dbraw/zinc/99/73/69/514997369.db2.gz WWWMHXVMAXKBHZ-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489846423 514997374 /nfs/dbraw/zinc/99/73/74/514997374.db2.gz WWWMHXVMAXKBHZ-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(CCCOCC)C[C@H]2C)cc1 ZINC000480604312 515018253 /nfs/dbraw/zinc/01/82/53/515018253.db2.gz FWOZLVOZIFMMGS-YLJYHZDGSA-N 1 3 361.530 2.663 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCN3CCC[C@H](C)C3)C2)CC1 ZINC000503470140 515045946 /nfs/dbraw/zinc/04/59/46/515045946.db2.gz MGVOIFFUDZEGCB-VQTJNVASSA-N 1 3 364.578 2.872 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000489966209 515049886 /nfs/dbraw/zinc/04/98/86/515049886.db2.gz PAZMADFYBYHEDR-QFIPXVFZSA-N 1 3 356.558 2.794 20 0 FFADHO C[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CCN(C2CCC2)C1 ZINC000490003220 515065706 /nfs/dbraw/zinc/06/57/06/515065706.db2.gz URIHJZZDWOXIIS-KRWDZBQOSA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000472000558 515081556 /nfs/dbraw/zinc/08/15/56/515081556.db2.gz UXMOFOUFIRAHHK-QWFCFKBJSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503747670 515135603 /nfs/dbraw/zinc/13/56/03/515135603.db2.gz MDTJCLCEEVRKBX-OAQYLSRUSA-N 1 3 374.573 2.780 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503747670 515135613 /nfs/dbraw/zinc/13/56/13/515135613.db2.gz MDTJCLCEEVRKBX-OAQYLSRUSA-N 1 3 374.573 2.780 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@]3(C)CCCN3Cc3ccccc3)C2)C1 ZINC000490238031 515151763 /nfs/dbraw/zinc/15/17/63/515151763.db2.gz GQIHYYTYWPCXCF-YADHBBJMSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@]3(C)CCCN3Cc3ccccc3)C2)C1 ZINC000490238031 515151769 /nfs/dbraw/zinc/15/17/69/515151769.db2.gz GQIHYYTYWPCXCF-YADHBBJMSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000490357736 515186927 /nfs/dbraw/zinc/18/69/27/515186927.db2.gz ATSFZSLIVBPONL-AEFFLSMTSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[N@H+](C2CCC2)C1 ZINC000490357736 515186936 /nfs/dbraw/zinc/18/69/36/515186936.db2.gz ATSFZSLIVBPONL-AEFFLSMTSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C)CCN(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000468018053 515197404 /nfs/dbraw/zinc/19/74/04/515197404.db2.gz XJOFQLFZIVNBGE-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000468018053 515197407 /nfs/dbraw/zinc/19/74/07/515197407.db2.gz XJOFQLFZIVNBGE-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000481107907 515210023 /nfs/dbraw/zinc/21/00/23/515210023.db2.gz NAJLGICHTKPDJV-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462735503 515218923 /nfs/dbraw/zinc/21/89/23/515218923.db2.gz BOHPXUZDHIUBRS-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CN1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462735503 515218933 /nfs/dbraw/zinc/21/89/33/515218933.db2.gz BOHPXUZDHIUBRS-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCC1 ZINC000458967303 515233956 /nfs/dbraw/zinc/23/39/56/515233956.db2.gz GGUZUVPKOTZQHC-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000509571634 515239259 /nfs/dbraw/zinc/23/92/59/515239259.db2.gz RIKMVBFXRSQOAF-AQDBYXPISA-N 1 3 362.518 2.975 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000509571634 515239263 /nfs/dbraw/zinc/23/92/63/515239263.db2.gz RIKMVBFXRSQOAF-AQDBYXPISA-N 1 3 362.518 2.975 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccco1 ZINC000509575046 515239821 /nfs/dbraw/zinc/23/98/21/515239821.db2.gz UWBBMTASFBZTPD-WNRNVDISSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccco1 ZINC000509575046 515239829 /nfs/dbraw/zinc/23/98/29/515239829.db2.gz UWBBMTASFBZTPD-WNRNVDISSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000509589197 515247637 /nfs/dbraw/zinc/24/76/37/515247637.db2.gz YYCGSUHKARZNKX-GVDBMIGSSA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000509589197 515247644 /nfs/dbraw/zinc/24/76/44/515247644.db2.gz YYCGSUHKARZNKX-GVDBMIGSSA-N 1 3 350.507 2.692 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000504295647 515263932 /nfs/dbraw/zinc/26/39/32/515263932.db2.gz LZSYMELTDVWVCY-PMACEKPBSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000504295647 515263938 /nfs/dbraw/zinc/26/39/38/515263938.db2.gz LZSYMELTDVWVCY-PMACEKPBSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)[NH+](CCN(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1)C(C)C ZINC000504433095 515303471 /nfs/dbraw/zinc/30/34/71/515303471.db2.gz FAZSUUGEDAJVJG-UHFFFAOYSA-N 1 3 374.573 2.846 20 0 FFADHO CCc1c(C)nc2ccccc2c1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000477115300 515335810 /nfs/dbraw/zinc/33/58/10/515335810.db2.gz OZFNPPVMLUFVEV-UHFFFAOYSA-N 1 3 368.525 2.882 20 0 FFADHO CC(C)O[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1(C)C ZINC000463030657 515341637 /nfs/dbraw/zinc/34/16/37/515341637.db2.gz UEUMTGHIQDNQLO-UXHICEINSA-N 1 3 360.546 2.775 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc2cccnc21 ZINC000499520277 515355198 /nfs/dbraw/zinc/35/51/98/515355198.db2.gz LHNOCODNSSCMCN-FQEVSTJZSA-N 1 3 368.525 2.652 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc2cccnc21 ZINC000499520277 515355205 /nfs/dbraw/zinc/35/52/05/515355205.db2.gz LHNOCODNSSCMCN-FQEVSTJZSA-N 1 3 368.525 2.652 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2)C1 ZINC000454325824 515400619 /nfs/dbraw/zinc/40/06/19/515400619.db2.gz WYYGADANRAGGAO-JRGCBEDISA-N 1 3 370.541 2.764 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2)C1 ZINC000454325824 515400630 /nfs/dbraw/zinc/40/06/30/515400630.db2.gz WYYGADANRAGGAO-JRGCBEDISA-N 1 3 370.541 2.764 20 0 FFADHO COC(=O)CCCN1CCC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000463236116 515412268 /nfs/dbraw/zinc/41/22/68/515412268.db2.gz JHLKNRYXQNIVEG-MSOLQXFVSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000463264709 515422874 /nfs/dbraw/zinc/42/28/74/515422874.db2.gz GSMXBSZFBDWBDF-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000486313198 515431686 /nfs/dbraw/zinc/43/16/86/515431686.db2.gz ARJXQIHUIQTVQS-LPHOPBHVSA-N 1 3 363.933 2.962 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000486313198 515431695 /nfs/dbraw/zinc/43/16/95/515431695.db2.gz ARJXQIHUIQTVQS-LPHOPBHVSA-N 1 3 363.933 2.962 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)C[C@@H]21 ZINC000454411870 515469106 /nfs/dbraw/zinc/46/91/06/515469106.db2.gz RZCOMEWCHQFSPW-RTWAWAEBSA-N 1 3 370.541 2.908 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC3(C)C)CC2)CC1 ZINC000454447337 515498298 /nfs/dbraw/zinc/49/82/98/515498298.db2.gz FQSMOBQEQLMAAQ-MRXNPFEDSA-N 1 3 350.551 2.671 20 0 FFADHO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000510306741 515499551 /nfs/dbraw/zinc/49/95/51/515499551.db2.gz UWTFETAIRVRDSY-ROUUACIJSA-N 1 3 365.468 2.744 20 0 FFADHO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000510306741 515499562 /nfs/dbraw/zinc/49/95/62/515499562.db2.gz UWTFETAIRVRDSY-ROUUACIJSA-N 1 3 365.468 2.744 20 0 FFADHO [NH3+]CC1(CC(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCCCC1 ZINC000463478696 515519268 /nfs/dbraw/zinc/51/92/68/515519268.db2.gz LKTOQAZCKRLSMW-UHFFFAOYSA-N 1 3 359.514 2.881 20 0 FFADHO COCC[N@H+](C)CC[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000468815938 515533149 /nfs/dbraw/zinc/53/31/49/515533149.db2.gz DVWRALTYVXWPCZ-NSHGMRRFSA-N 1 3 361.530 2.685 20 0 FFADHO COCC[N@@H+](C)CC[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000468815938 515533158 /nfs/dbraw/zinc/53/31/58/515533158.db2.gz DVWRALTYVXWPCZ-NSHGMRRFSA-N 1 3 361.530 2.685 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000473213386 515539179 /nfs/dbraw/zinc/53/91/79/515539179.db2.gz FJQBXOOSLATHPY-NSHGMRRFSA-N 1 3 367.578 2.891 20 0 FFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1 ZINC000459446144 515560148 /nfs/dbraw/zinc/56/01/48/515560148.db2.gz UHTZBTVAOVVCPH-FQEVSTJZSA-N 1 3 373.928 2.761 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000500092257 515586345 /nfs/dbraw/zinc/58/63/45/515586345.db2.gz VNODTAHKQGTTAT-XUJQIHCRSA-N 1 3 364.509 2.848 20 0 FFADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000493767225 515662021 /nfs/dbraw/zinc/66/20/21/515662021.db2.gz MJFMVLDTZVFXPI-UGKGYDQZSA-N 1 3 368.525 2.960 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccco1 ZINC000493910600 515684623 /nfs/dbraw/zinc/68/46/23/515684623.db2.gz AQPMMURGCQOICD-DOTOQJQBSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccco1 ZINC000493910600 515684632 /nfs/dbraw/zinc/68/46/32/515684632.db2.gz AQPMMURGCQOICD-DOTOQJQBSA-N 1 3 350.507 2.882 20 0 FFADHO CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482570341 515722774 /nfs/dbraw/zinc/72/27/74/515722774.db2.gz VMBKYLSBWPVQEG-PKOBYXMFSA-N 1 3 361.530 2.959 20 0 FFADHO C[C@@H]1C[C@H](NCCOc2ccc(I)cc2)CC[N@@H+]1C ZINC000511032733 515751292 /nfs/dbraw/zinc/75/12/92/515751292.db2.gz TYERKZFMTXKWRU-TZMCWYRMSA-N 1 3 374.266 2.742 20 0 FFADHO C[C@@H]1C[C@H](NCCOc2ccc(I)cc2)CC[N@H+]1C ZINC000511032733 515751300 /nfs/dbraw/zinc/75/13/00/515751300.db2.gz TYERKZFMTXKWRU-TZMCWYRMSA-N 1 3 374.266 2.742 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC000459730651 515776585 /nfs/dbraw/zinc/77/65/85/515776585.db2.gz FCFDKIPMDBBYOZ-INIZCTEOSA-N 1 3 351.922 2.998 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC000459730651 515776592 /nfs/dbraw/zinc/77/65/92/515776592.db2.gz FCFDKIPMDBBYOZ-INIZCTEOSA-N 1 3 351.922 2.998 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000469434407 515815189 /nfs/dbraw/zinc/81/51/89/515815189.db2.gz PFMYAVFKCIRKTR-PXNSSMCTSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000469434407 515815206 /nfs/dbraw/zinc/81/52/06/515815206.db2.gz PFMYAVFKCIRKTR-PXNSSMCTSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000457370227 515832948 /nfs/dbraw/zinc/83/29/48/515832948.db2.gz DJZDKJCNKIFAKP-VQTJNVASSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000457370227 515832952 /nfs/dbraw/zinc/83/29/52/515832952.db2.gz DJZDKJCNKIFAKP-VQTJNVASSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CC[C@@]2(CCN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)C2)C1 ZINC000487546431 515900259 /nfs/dbraw/zinc/90/02/59/515900259.db2.gz CPWGHDNWCWZQCG-HXUWFJFHSA-N 1 3 362.562 2.912 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC000469729488 515940998 /nfs/dbraw/zinc/94/09/98/515940998.db2.gz QQZOIQIKKCJQCW-NQIIRXRSSA-N 1 3 372.557 2.631 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC000469729488 515941005 /nfs/dbraw/zinc/94/10/05/515941005.db2.gz QQZOIQIKKCJQCW-NQIIRXRSSA-N 1 3 372.557 2.631 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)N(CC)CC ZINC000474291474 515976381 /nfs/dbraw/zinc/97/63/81/515976381.db2.gz KSNOUDRHHVFQOA-BMGDILEWSA-N 1 3 353.457 2.647 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000487810685 515986086 /nfs/dbraw/zinc/98/60/86/515986086.db2.gz HOVQVKQOJBEAAI-QGZVFWFLSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)COc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000469853798 515997820 /nfs/dbraw/zinc/99/78/20/515997820.db2.gz UUUYRZFODDCXJU-FPOVZHCZSA-N 1 3 373.541 2.802 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487834631 515998115 /nfs/dbraw/zinc/99/81/15/515998115.db2.gz IMGFGWUONZHXHQ-RAUXBKROSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487834631 515998123 /nfs/dbraw/zinc/99/81/23/515998123.db2.gz IMGFGWUONZHXHQ-RAUXBKROSA-N 1 3 370.541 2.821 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000494907336 516004857 /nfs/dbraw/zinc/00/48/57/516004857.db2.gz GWYUAVGBGSFTRA-IBGZPJMESA-N 1 3 359.514 2.554 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cc3ccccc3s2)C1)[C@@H]1CCC[NH2+]1 ZINC000469865826 516006228 /nfs/dbraw/zinc/00/62/28/516006228.db2.gz ZXGCKPMLJAKLQO-YJBOKZPZSA-N 1 3 357.523 2.982 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000469907225 516026166 /nfs/dbraw/zinc/02/61/66/516026166.db2.gz MPISYTUYUWMPJT-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000465000048 516038584 /nfs/dbraw/zinc/03/85/84/516038584.db2.gz ADUCGOPKOIBPCI-PMACEKPBSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000465000048 516038590 /nfs/dbraw/zinc/03/85/90/516038590.db2.gz ADUCGOPKOIBPCI-PMACEKPBSA-N 1 3 358.530 2.538 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4(CCC4)[C@H]3C3CC3)CC2)CC1 ZINC000460152141 516046116 /nfs/dbraw/zinc/04/61/16/516046116.db2.gz RUKGMYFIWACSTB-LJQANCHMSA-N 1 3 360.546 2.519 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000457716484 516093288 /nfs/dbraw/zinc/09/32/88/516093288.db2.gz SUEDKRFKUKCLBC-HXUWFJFHSA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000457716484 516093297 /nfs/dbraw/zinc/09/32/97/516093297.db2.gz SUEDKRFKUKCLBC-HXUWFJFHSA-N 1 3 358.530 2.559 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000483492063 516107332 /nfs/dbraw/zinc/10/73/32/516107332.db2.gz NVLPYXZGWFZOEK-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000483492063 516107341 /nfs/dbraw/zinc/10/73/41/516107341.db2.gz NVLPYXZGWFZOEK-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(OC)cc1Br ZINC000512006802 516114814 /nfs/dbraw/zinc/11/48/14/516114814.db2.gz IFTSOMAOWOPVJV-OAHLLOKOSA-N 1 3 359.308 2.904 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501507008 516129905 /nfs/dbraw/zinc/12/99/05/516129905.db2.gz WVVMNABYHOCZBT-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501507008 516129914 /nfs/dbraw/zinc/12/99/14/516129914.db2.gz WVVMNABYHOCZBT-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000460364451 516135086 /nfs/dbraw/zinc/13/50/86/516135086.db2.gz MBNQFEXABGQWNF-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@]2(CCN(C)C2)C1)[NH+]1CCCC1 ZINC000488156721 516137544 /nfs/dbraw/zinc/13/75/44/516137544.db2.gz BTXPMHOEKGCKGR-AZUAARDMSA-N 1 3 350.551 2.624 20 0 FFADHO CCOc1cc2[nH+]ccc(N[C@@H](C)CN3CCN(C)CC3)c2cc1OCC ZINC000488176423 516145563 /nfs/dbraw/zinc/14/55/63/516145563.db2.gz KCXKJSSKPGKUOB-INIZCTEOSA-N 1 3 372.513 2.502 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000501548536 516148790 /nfs/dbraw/zinc/14/87/90/516148790.db2.gz FHWINMQTHSUQBN-SFHVURJKSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000501548536 516148798 /nfs/dbraw/zinc/14/87/98/516148798.db2.gz FHWINMQTHSUQBN-SFHVURJKSA-N 1 3 372.557 2.997 20 0 FFADHO COc1ccc([C@H](C)[C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000474730557 516174750 /nfs/dbraw/zinc/17/47/50/516174750.db2.gz SAEBLPPPPIIECZ-AOIWGVFYSA-N 1 3 364.530 2.878 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000507428658 516210211 /nfs/dbraw/zinc/21/02/11/516210211.db2.gz ZAKJXNQNAXJONV-UHFFFAOYSA-N 1 3 374.916 2.778 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000501755362 516216171 /nfs/dbraw/zinc/21/61/71/516216171.db2.gz KVGOUWVIHUGNIL-SFHLNBCPSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507473592 516219334 /nfs/dbraw/zinc/21/93/34/516219334.db2.gz VMQJNBYGFPOPIX-FVTFTPSCSA-N 1 3 357.542 2.597 20 0 FFADHO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc2c(c1)CNC2 ZINC000470367367 516222835 /nfs/dbraw/zinc/22/28/35/516222835.db2.gz OAFGWFWODIHIPP-UHFFFAOYSA-N 1 3 351.494 2.926 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470376002 516227244 /nfs/dbraw/zinc/22/72/44/516227244.db2.gz PVZVXALTZSQCCD-HNNXBMFYSA-N 1 3 350.466 2.640 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000465687763 516230348 /nfs/dbraw/zinc/23/03/48/516230348.db2.gz HYRUHQJBRPYNQF-IBGZPJMESA-N 1 3 358.530 2.607 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000465687763 516230353 /nfs/dbraw/zinc/23/03/53/516230353.db2.gz HYRUHQJBRPYNQF-IBGZPJMESA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000488495503 516241557 /nfs/dbraw/zinc/24/15/57/516241557.db2.gz PJBCGZQYGBMVJY-LPHOPBHVSA-N 1 3 364.509 2.848 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000465733335 516243030 /nfs/dbraw/zinc/24/30/30/516243030.db2.gz WLSRZCXPQZTZTK-GBESFXJTSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000465733335 516243038 /nfs/dbraw/zinc/24/30/38/516243038.db2.gz WLSRZCXPQZTZTK-GBESFXJTSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465743475 516244882 /nfs/dbraw/zinc/24/48/82/516244882.db2.gz BZHRJWPGUOUQJU-ROUUACIJSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465743475 516244888 /nfs/dbraw/zinc/24/48/88/516244888.db2.gz BZHRJWPGUOUQJU-ROUUACIJSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)N2CCCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512412492 516268811 /nfs/dbraw/zinc/26/88/11/516268811.db2.gz PSASWHKHXXOXDB-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)N2CCCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412492 516268817 /nfs/dbraw/zinc/26/88/17/516268817.db2.gz PSASWHKHXXOXDB-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)N1CCN(C)CC1 ZINC000550608423 516352092 /nfs/dbraw/zinc/35/20/92/516352092.db2.gz GPCVVPZVNGKTTN-BDTNDASRSA-N 1 3 358.574 2.684 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCN(C2CC2)C1 ZINC000550627110 516358001 /nfs/dbraw/zinc/35/80/01/516358001.db2.gz FKRFSYDYKYSTDP-RBSFLKMASA-N 1 3 361.452 2.590 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCN(C2CC2)C1 ZINC000550627110 516358005 /nfs/dbraw/zinc/35/80/05/516358005.db2.gz FKRFSYDYKYSTDP-RBSFLKMASA-N 1 3 361.452 2.590 20 0 FFADHO C[C@H](NC(=O)[C@@H](CN)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000517563105 516365667 /nfs/dbraw/zinc/36/56/67/516365667.db2.gz HZUISLYXORTODP-LRQRDZAKSA-N 1 3 369.484 2.895 20 0 FFADHO C[C@H](NC(=O)[C@@H](CN)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517563105 516365676 /nfs/dbraw/zinc/36/56/76/516365676.db2.gz HZUISLYXORTODP-LRQRDZAKSA-N 1 3 369.484 2.895 20 0 FFADHO Cc1cc(NC(=O)CC2CC[NH2+]CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000517563345 516366251 /nfs/dbraw/zinc/36/62/51/516366251.db2.gz QPJRXERRMDULEZ-UHFFFAOYSA-N 1 3 358.530 2.854 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000543762995 516417546 /nfs/dbraw/zinc/41/75/46/516417546.db2.gz STPVMEDZZZXRQC-FVTFTPSCSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000543762995 516417554 /nfs/dbraw/zinc/41/75/54/516417554.db2.gz STPVMEDZZZXRQC-FVTFTPSCSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000543762995 516417559 /nfs/dbraw/zinc/41/75/59/516417559.db2.gz STPVMEDZZZXRQC-FVTFTPSCSA-N 1 3 357.542 2.597 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3cccnc3)CC2)CC1 ZINC000561197595 516444261 /nfs/dbraw/zinc/44/42/61/516444261.db2.gz HNZOTMBDMJGABB-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1CCC[C@H](C)C1 ZINC000557854917 516473217 /nfs/dbraw/zinc/47/32/17/516473217.db2.gz JJADPZSQXYUQHI-ZWKOTPCHSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1CCC[C@H](C)C1 ZINC000557854917 516473225 /nfs/dbraw/zinc/47/32/25/516473225.db2.gz JJADPZSQXYUQHI-ZWKOTPCHSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000517906459 516487779 /nfs/dbraw/zinc/48/77/79/516487779.db2.gz RWUMMYPUQRTDBU-KZNAEPCWSA-N 1 3 361.530 2.547 20 0 FFADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1cccc(F)c1 ZINC000517918289 516491832 /nfs/dbraw/zinc/49/18/32/516491832.db2.gz GANFGJXFNSQIFE-CUWPLCDZSA-N 1 3 356.441 2.575 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000517941832 516500556 /nfs/dbraw/zinc/50/05/56/516500556.db2.gz CJZJCFLSPCSWGG-LJQANCHMSA-N 1 3 355.457 2.813 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000523905368 516604472 /nfs/dbraw/zinc/60/44/72/516604472.db2.gz PEQYMWNRUQEDQZ-IBGZPJMESA-N 1 3 360.546 2.723 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000523905368 516604483 /nfs/dbraw/zinc/60/44/83/516604483.db2.gz PEQYMWNRUQEDQZ-IBGZPJMESA-N 1 3 360.546 2.723 20 0 FFADHO CN(CCCN(C)C(=O)NCC[N@H+](C)C1CCCC1)Cc1ccco1 ZINC000561539716 516641442 /nfs/dbraw/zinc/64/14/42/516641442.db2.gz NOYARHGBHWIIQU-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO CN(CCCN(C)C(=O)NCC[N@@H+](C)C1CCCC1)Cc1ccco1 ZINC000561539716 516641455 /nfs/dbraw/zinc/64/14/55/516641455.db2.gz NOYARHGBHWIIQU-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536136069 516645455 /nfs/dbraw/zinc/64/54/55/516645455.db2.gz KSXNTHXUBWQTOE-PIKOESSRSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536136069 516645464 /nfs/dbraw/zinc/64/54/64/516645464.db2.gz KSXNTHXUBWQTOE-PIKOESSRSA-N 1 3 358.530 2.851 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cccc2cc[nH]c21 ZINC000513516928 516657177 /nfs/dbraw/zinc/65/71/77/516657177.db2.gz CIXQWGOMCURJLD-FQEVSTJZSA-N 1 3 364.493 2.547 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C1CC1 ZINC000561635497 516693015 /nfs/dbraw/zinc/69/30/15/516693015.db2.gz OTQCAJZXUYTNPT-GCJKJVERSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C1CC1 ZINC000561635497 516693024 /nfs/dbraw/zinc/69/30/24/516693024.db2.gz OTQCAJZXUYTNPT-GCJKJVERSA-N 1 3 370.541 2.777 20 0 FFADHO Cc1ccc(C[NH2+]CC2(O)CCN(C(C)C)CC2)c(-c2ccnn2C)c1 ZINC000554918543 516698050 /nfs/dbraw/zinc/69/80/50/516698050.db2.gz WTJFITSAHDMZHV-UHFFFAOYSA-N 1 3 356.514 2.720 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000558365413 516707772 /nfs/dbraw/zinc/70/77/72/516707772.db2.gz XEHRUZOKXAKALE-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(F)c1 ZINC000540787195 516711988 /nfs/dbraw/zinc/71/19/88/516711988.db2.gz FXOVNZRSSCLCIZ-UZLBHIALSA-N 1 3 357.473 2.765 20 0 FFADHO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n(C2CCN(C)CC2)n1 ZINC000558387161 516715685 /nfs/dbraw/zinc/71/56/85/516715685.db2.gz OZDOXWVQVKEGER-AEFFLSMTSA-N 1 3 374.533 2.549 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000561686140 516715964 /nfs/dbraw/zinc/71/59/64/516715964.db2.gz SYSGCILDFRRDEA-MDNKFWRPSA-N 1 3 356.514 2.700 20 0 FFADHO COc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531970487 516737041 /nfs/dbraw/zinc/73/70/41/516737041.db2.gz WNALEXDEJSBIRP-FQEVSTJZSA-N 1 3 359.514 2.605 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc2)CC1 ZINC000555111796 516787748 /nfs/dbraw/zinc/78/77/48/516787748.db2.gz IYLARFWGCVREBT-SFHVURJKSA-N 1 3 360.546 2.676 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc2)CC1 ZINC000555111796 516787763 /nfs/dbraw/zinc/78/77/63/516787763.db2.gz IYLARFWGCVREBT-SFHVURJKSA-N 1 3 360.546 2.676 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000544649543 516855427 /nfs/dbraw/zinc/85/54/27/516855427.db2.gz ZFTMBBBXVYCCJH-INIZCTEOSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000532232636 516865705 /nfs/dbraw/zinc/86/57/05/516865705.db2.gz SKQIYZLRGKXQNQ-KRWDZBQOSA-N 1 3 354.494 2.808 20 0 FFADHO C[C@](O)(CNCCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000519141411 516899906 /nfs/dbraw/zinc/89/99/06/516899906.db2.gz FRBLEDICDGTHPN-KRWDZBQOSA-N 1 3 360.420 2.607 20 0 FFADHO CC[C@@H](CC(F)(F)F)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000544872179 516969902 /nfs/dbraw/zinc/96/99/02/516969902.db2.gz MSZFJJKLQPRKTG-LSDHHAIUSA-N 1 3 366.472 2.775 20 0 FFADHO CC[C@@H](CC(F)(F)F)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000544872179 516969912 /nfs/dbraw/zinc/96/99/12/516969912.db2.gz MSZFJJKLQPRKTG-LSDHHAIUSA-N 1 3 366.472 2.775 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000555558354 516977316 /nfs/dbraw/zinc/97/73/16/516977316.db2.gz OYWURCOKEZONKF-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532504141 517009298 /nfs/dbraw/zinc/00/92/98/517009298.db2.gz CUJGRNSUIYFTKN-JKSUJKDBSA-N 1 3 357.498 2.723 20 0 FFADHO CN1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000555612016 517013483 /nfs/dbraw/zinc/01/34/83/517013483.db2.gz GODHFESKXBGBFL-HXUWFJFHSA-N 1 3 357.542 2.599 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000552048106 517049691 /nfs/dbraw/zinc/04/96/91/517049691.db2.gz HTEXJNQNRMKMJB-LEUOFYLZSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000552048106 517049700 /nfs/dbraw/zinc/04/97/00/517049700.db2.gz HTEXJNQNRMKMJB-LEUOFYLZSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000552048106 517049710 /nfs/dbraw/zinc/04/97/10/517049710.db2.gz HTEXJNQNRMKMJB-LEUOFYLZSA-N 1 3 372.431 2.908 20 0 FFADHO C[C@@]1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CCCN1Cc1ccccc1 ZINC000529319770 517076976 /nfs/dbraw/zinc/07/69/76/517076976.db2.gz IDFKTMPYZBACHE-ICSRJNTNSA-N 1 3 356.514 2.625 20 0 FFADHO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CCCC(=O)OC)CC2)C1 ZINC000545205148 517103250 /nfs/dbraw/zinc/10/32/50/517103250.db2.gz FUGSRFRILHSAEJ-SFHVURJKSA-N 1 3 367.578 2.894 20 0 FFADHO c1ccc(CN2C[C@@H](C[NH2+]C[C@@H]3CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559327206 517184557 /nfs/dbraw/zinc/18/45/57/517184557.db2.gz WTAUOAIWCALZNR-LEWJYISDSA-N 1 3 358.526 2.931 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000541732450 517193899 /nfs/dbraw/zinc/19/38/99/517193899.db2.gz CAWSKIIVGMGGCZ-FQEVSTJZSA-N 1 3 365.949 2.697 20 0 FFADHO CN(CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000525944375 517248967 /nfs/dbraw/zinc/24/89/67/517248967.db2.gz ZJNJMJNTXCTAEC-LJQANCHMSA-N 1 3 352.482 2.546 20 0 FFADHO CN(CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000525944375 517248974 /nfs/dbraw/zinc/24/89/74/517248974.db2.gz ZJNJMJNTXCTAEC-LJQANCHMSA-N 1 3 352.482 2.546 20 0 FFADHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000556118270 517273966 /nfs/dbraw/zinc/27/39/66/517273966.db2.gz AMNNARMVQXNRTC-LRSLUSHPSA-N 1 3 357.542 2.789 20 0 FFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2CCS(=O)(=O)CC2)CC1 ZINC000541909497 517287420 /nfs/dbraw/zinc/28/74/20/517287420.db2.gz UFOAPUAMSUMCFU-APWZRJJASA-N 1 3 356.576 2.834 20 0 FFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2CCS(=O)(=O)CC2)CC1 ZINC000541909497 517287426 /nfs/dbraw/zinc/28/74/26/517287426.db2.gz UFOAPUAMSUMCFU-APWZRJJASA-N 1 3 356.576 2.834 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000526186866 517368132 /nfs/dbraw/zinc/36/81/32/517368132.db2.gz JHRBIBFOVMWYQM-OAHLLOKOSA-N 1 3 366.472 2.632 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000520406935 517382714 /nfs/dbraw/zinc/38/27/14/517382714.db2.gz WRCGLHFIRGHKRY-YADHBBJMSA-N 1 3 367.493 2.989 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000537980668 517424959 /nfs/dbraw/zinc/42/49/59/517424959.db2.gz ICPCOIQCOJBRTH-KVSKMBFKSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537980668 517424964 /nfs/dbraw/zinc/42/49/64/517424964.db2.gz ICPCOIQCOJBRTH-KVSKMBFKSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CN)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515840253 517492632 /nfs/dbraw/zinc/49/26/32/517492632.db2.gz IOGOPJUNXVOMJH-YRISNDGFSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CN)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000515840253 517492643 /nfs/dbraw/zinc/49/26/43/517492643.db2.gz IOGOPJUNXVOMJH-YRISNDGFSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000520829081 517526475 /nfs/dbraw/zinc/52/64/75/517526475.db2.gz STVNNEBOOLVXKV-QGZVFWFLSA-N 1 3 362.518 2.869 20 0 FFADHO Cc1ccc([C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CCCC2)o1 ZINC000538289517 517543831 /nfs/dbraw/zinc/54/38/31/517543831.db2.gz BJLNPIFQLRAIKF-NRFANRHFSA-N 1 3 363.546 2.799 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CCc3ccco3)CC2)CC1 ZINC000553200006 517571718 /nfs/dbraw/zinc/57/17/18/517571718.db2.gz CDLIHRVDSSLXCF-KRWDZBQOSA-N 1 3 361.530 2.913 20 0 FFADHO C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000521109434 517616355 /nfs/dbraw/zinc/61/63/55/517616355.db2.gz SMVZTXIYBDDULQ-GHTZIAJQSA-N 1 3 357.542 2.882 20 0 FFADHO COc1cc2c(c(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000530248457 517653788 /nfs/dbraw/zinc/65/37/88/517653788.db2.gz KUJUJVPNHVPAIG-HNAYVOBHSA-N 1 3 360.498 2.609 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247692 517654472 /nfs/dbraw/zinc/65/44/72/517654472.db2.gz CBPDAFYXLHZRSC-HXUWFJFHSA-N 1 3 370.497 2.676 20 0 FFADHO Cc1cccc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530249290 517656239 /nfs/dbraw/zinc/65/62/39/517656239.db2.gz USELZSZAGGKEIZ-FQEVSTJZSA-N 1 3 354.498 2.976 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000549806717 517718784 /nfs/dbraw/zinc/71/87/84/517718784.db2.gz PIWKWOQDBNAIRA-LLGFUMIMSA-N 1 3 364.505 2.550 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1C1CC1 ZINC000521474408 517747032 /nfs/dbraw/zinc/74/70/32/517747032.db2.gz XNLBXOJXOKFSIP-QHSBEEBCSA-N 1 3 361.452 2.637 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1C1CC1 ZINC000521474408 517747041 /nfs/dbraw/zinc/74/70/41/517747041.db2.gz XNLBXOJXOKFSIP-QHSBEEBCSA-N 1 3 361.452 2.637 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Cc1ccco1 ZINC000542811940 517758812 /nfs/dbraw/zinc/75/88/12/517758812.db2.gz ZETJXKLPROYUDW-YVNJGZBMSA-N 1 3 354.494 2.931 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cc1ccco1 ZINC000542811940 517758821 /nfs/dbraw/zinc/75/88/21/517758821.db2.gz ZETJXKLPROYUDW-YVNJGZBMSA-N 1 3 354.494 2.931 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cc1ccco1 ZINC000542811940 517758839 /nfs/dbraw/zinc/75/88/39/517758839.db2.gz ZETJXKLPROYUDW-YVNJGZBMSA-N 1 3 354.494 2.931 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000516607301 517764484 /nfs/dbraw/zinc/76/44/84/517764484.db2.gz BBPXZUHADGMAGJ-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000553599155 517801876 /nfs/dbraw/zinc/80/18/76/517801876.db2.gz KZWOTJKHBGQWPO-GOSISDBHSA-N 1 3 364.534 2.865 20 0 FFADHO CC[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000557134211 517872658 /nfs/dbraw/zinc/87/26/58/517872658.db2.gz NMBQTXASZDEAKI-INIZCTEOSA-N 1 3 352.548 2.820 20 0 FFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000546830410 517880238 /nfs/dbraw/zinc/88/02/38/517880238.db2.gz HUVGWFWGCKAKBQ-OAQYLSRUSA-N 1 3 371.525 2.998 20 0 FFADHO Cn1cnc(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560544600 517884390 /nfs/dbraw/zinc/88/43/90/517884390.db2.gz QZUQFKCVNBAOLX-XUVXKRRUSA-N 1 3 353.514 2.638 20 0 FFADHO Cn1cnc(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560544600 517884400 /nfs/dbraw/zinc/88/44/00/517884400.db2.gz QZUQFKCVNBAOLX-XUVXKRRUSA-N 1 3 353.514 2.638 20 0 FFADHO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000560544600 517884406 /nfs/dbraw/zinc/88/44/06/517884406.db2.gz QZUQFKCVNBAOLX-XUVXKRRUSA-N 1 3 353.514 2.638 20 0 FFADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000550218220 517933638 /nfs/dbraw/zinc/93/36/38/517933638.db2.gz ICFKROSTDVIVHZ-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539161773 517938882 /nfs/dbraw/zinc/93/88/82/517938882.db2.gz QMAGPJVCQTWFJA-LJQANCHMSA-N 1 3 360.502 2.846 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000553926557 517973594 /nfs/dbraw/zinc/97/35/94/517973594.db2.gz QPNCQNWQCWJEPZ-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000563562164 517985535 /nfs/dbraw/zinc/98/55/35/517985535.db2.gz PQHXGILVYCLCGO-FQEVSTJZSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCN(C2CCC2)C1 ZINC000563611300 518024627 /nfs/dbraw/zinc/02/46/27/518024627.db2.gz XLGJDSHHTMTXDL-DUEJHXMNSA-N 1 3 374.573 2.656 20 0 FFADHO CCCCn1nccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557590003 518093699 /nfs/dbraw/zinc/09/36/99/518093699.db2.gz PBCHKBZDXLAJJP-UHFFFAOYSA-N 1 3 361.534 2.818 20 0 FFADHO CC(C)[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)[NH+]1CCC(C)CC1 ZINC000522468515 518113237 /nfs/dbraw/zinc/11/32/37/518113237.db2.gz HPGCFYRWQRKIDV-MOPGFXCFSA-N 1 3 352.567 2.726 20 0 FFADHO Cn1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(-c2cccs2)n1 ZINC000517330754 518120358 /nfs/dbraw/zinc/12/03/58/518120358.db2.gz SJLFACMCCXUIKP-SJORKVTESA-N 1 3 360.527 2.867 20 0 FFADHO COc1cc2[nH+]ccc(N3CCC(C)(N4CCOCC4)CC3)c2cc1OC ZINC000528189105 518140887 /nfs/dbraw/zinc/14/08/87/518140887.db2.gz AYCYGTBYVVVPSU-UHFFFAOYSA-N 1 3 371.481 2.943 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCCC1 ZINC000522830378 518168118 /nfs/dbraw/zinc/16/81/18/518168118.db2.gz KPWKFEDCNUPSGJ-UYAOXDASSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000575372930 518206437 /nfs/dbraw/zinc/20/64/37/518206437.db2.gz HGVJJJLESYLCTK-WQCNXYOZSA-N 1 3 351.922 2.819 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000569621458 518209130 /nfs/dbraw/zinc/20/91/30/518209130.db2.gz NCPRCBOYACBJHJ-UHFFFAOYSA-N 1 3 373.497 2.574 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000563963210 518250220 /nfs/dbraw/zinc/25/02/20/518250220.db2.gz MAQHDAPMWGLAKE-KSEOMHKRSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000563963210 518250224 /nfs/dbraw/zinc/25/02/24/518250224.db2.gz MAQHDAPMWGLAKE-KSEOMHKRSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000563963210 518250228 /nfs/dbraw/zinc/25/02/28/518250228.db2.gz MAQHDAPMWGLAKE-KSEOMHKRSA-N 1 3 359.558 2.986 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccccc2C[NH+]2CCC(C)CC2)no1 ZINC000575740958 518259529 /nfs/dbraw/zinc/25/95/29/518259529.db2.gz IRAHAUUOXCYFKS-UHFFFAOYSA-N 1 3 370.497 2.755 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3nc(C)cs3)CC2)CC1 ZINC000569739479 518266180 /nfs/dbraw/zinc/26/61/80/518266180.db2.gz NXJDXTOLKCEDJE-OAHLLOKOSA-N 1 3 364.559 2.825 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)CCCC[NH+](C)C)cc1)[C@H]1CCCN(C)C1 ZINC000581402076 518267055 /nfs/dbraw/zinc/26/70/55/518267055.db2.gz QXQUZGGTBLLTLD-IBGZPJMESA-N 1 3 374.529 2.523 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000581427043 518280729 /nfs/dbraw/zinc/28/07/29/518280729.db2.gz ZJVUMOHAQXAZJE-WOJBJXKFSA-N 1 3 374.573 2.506 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000581432923 518283211 /nfs/dbraw/zinc/28/32/11/518283211.db2.gz PXGRNGXKHYLCGK-QKNQBKEWSA-N 1 3 358.530 2.823 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000578624200 518297696 /nfs/dbraw/zinc/29/76/96/518297696.db2.gz YNTDEEWBQWSHEG-FQEVSTJZSA-N 1 3 358.530 2.758 20 0 FFADHO Cc1cc(C)c(NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C)c(C)c1 ZINC000575832912 518300959 /nfs/dbraw/zinc/30/09/59/518300959.db2.gz NVPLGECEYPBBCF-IBGZPJMESA-N 1 3 362.562 2.754 20 0 FFADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000569844452 518321869 /nfs/dbraw/zinc/32/18/69/518321869.db2.gz AOFACUCCWCOBLT-LJQANCHMSA-N 1 3 368.525 2.938 20 0 FFADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000569844452 518321875 /nfs/dbraw/zinc/32/18/75/518321875.db2.gz AOFACUCCWCOBLT-LJQANCHMSA-N 1 3 368.525 2.938 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000567095981 518348219 /nfs/dbraw/zinc/34/82/19/518348219.db2.gz NVZUUNLSJAHNMQ-IEBWSBKVSA-N 1 3 358.530 2.941 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000576040776 518401094 /nfs/dbraw/zinc/40/10/94/518401094.db2.gz SRIFLSFTMGWHHK-YADHBBJMSA-N 1 3 367.493 2.989 20 0 FFADHO CCN(C[C@H](O)C[N@H+](CC)[C@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000564396475 518432011 /nfs/dbraw/zinc/43/20/11/518432011.db2.gz RZDXKLSWZTZBFY-BWTSREIZSA-N 1 3 370.578 2.906 20 0 FFADHO CCN(C[C@H](O)C[N@@H+](CC)[C@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000564396475 518432017 /nfs/dbraw/zinc/43/20/17/518432017.db2.gz RZDXKLSWZTZBFY-BWTSREIZSA-N 1 3 370.578 2.906 20 0 FFADHO CCN(C[C@@H](O)C[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000564396475 518432023 /nfs/dbraw/zinc/43/20/23/518432023.db2.gz RZDXKLSWZTZBFY-BWTSREIZSA-N 1 3 370.578 2.906 20 0 FFADHO CCN(C[C@@H](O)C[N@@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000564396475 518432028 /nfs/dbraw/zinc/43/20/28/518432028.db2.gz RZDXKLSWZTZBFY-BWTSREIZSA-N 1 3 370.578 2.906 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NCCN1CCC2(CCCCC2)CC1 ZINC000572976083 518449759 /nfs/dbraw/zinc/44/97/59/518449759.db2.gz BSNCZIFUPUWSDM-GOSISDBHSA-N 1 3 350.551 2.722 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000584829218 518497642 /nfs/dbraw/zinc/49/76/42/518497642.db2.gz KLHUZKRXQVQKJM-IAGOWNOFSA-N 1 3 364.559 2.777 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cc(F)ccc4C3)CC2)CC1 ZINC000576358214 518553716 /nfs/dbraw/zinc/55/37/16/518553716.db2.gz YDNWOMBSBCPCQE-UHFFFAOYSA-N 1 3 373.516 2.907 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nccn1Cc1ccccc1 ZINC000573215322 518560412 /nfs/dbraw/zinc/56/04/12/518560412.db2.gz FBLGQBMZLMHUQS-NRFANRHFSA-N 1 3 369.557 2.779 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nccn1Cc1ccccc1 ZINC000573215322 518560420 /nfs/dbraw/zinc/56/04/20/518560420.db2.gz FBLGQBMZLMHUQS-NRFANRHFSA-N 1 3 369.557 2.779 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CCc3ccccc3)cc2)CC1 ZINC000564842769 518645618 /nfs/dbraw/zinc/64/56/18/518645618.db2.gz HUWQWQPWDKFHAA-QHCPKHFHSA-N 1 3 367.537 2.517 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000570539137 518657501 /nfs/dbraw/zinc/65/75/01/518657501.db2.gz NESBUWPXZMHZJW-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000570539137 518657510 /nfs/dbraw/zinc/65/75/10/518657510.db2.gz NESBUWPXZMHZJW-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@H](O)C[NH+]1CCCC1 ZINC000582382745 518727027 /nfs/dbraw/zinc/72/70/27/518727027.db2.gz STWJKECVYPLJMR-WFASDCNBSA-N 1 3 359.283 2.566 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CCN1Cc1ccccc1 ZINC000576779553 518759300 /nfs/dbraw/zinc/75/93/00/518759300.db2.gz PFMZJKLXKYTCHW-VURPSTOHSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)Cc1ccccc1 ZINC000579688767 518802739 /nfs/dbraw/zinc/80/27/39/518802739.db2.gz HJIJEMPIKUYQPB-KRWDZBQOSA-N 1 3 370.472 2.766 20 0 FFADHO COCC[NH+]1CCC(N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)CC1 ZINC000582573370 518818145 /nfs/dbraw/zinc/81/81/45/518818145.db2.gz LKOJQWLQGCSRHK-NHCUHLMSSA-N 1 3 354.498 2.812 20 0 FFADHO CCCCCOC1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000565192337 518836396 /nfs/dbraw/zinc/83/63/96/518836396.db2.gz ZKRWJFXWPBSFTH-UHFFFAOYSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 ZINC000573904923 518892829 /nfs/dbraw/zinc/89/28/29/518892829.db2.gz NZKCPHKUGGQFGK-YXJHDRRASA-N 1 3 364.559 2.900 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000573942328 518912129 /nfs/dbraw/zinc/91/21/29/518912129.db2.gz WDTUQSWBHVDMLI-QUCCMNQESA-N 1 3 372.557 2.976 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOCc4ccccc43)CC2)CC1 ZINC000579977185 518947528 /nfs/dbraw/zinc/94/75/28/518947528.db2.gz ZSKMLGUHLVGXDW-UHFFFAOYSA-N 1 3 371.525 2.746 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000589210084 518951319 /nfs/dbraw/zinc/95/13/19/518951319.db2.gz SSVMLSSKBGLRIN-RTWAWAEBSA-N 1 3 370.541 2.703 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000589215685 518952774 /nfs/dbraw/zinc/95/27/74/518952774.db2.gz IQVPAADUUMSDRR-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000589215685 518952781 /nfs/dbraw/zinc/95/27/81/518952781.db2.gz IQVPAADUUMSDRR-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000589212041 518953279 /nfs/dbraw/zinc/95/32/79/518953279.db2.gz GOTUOKPTOJPCSG-YZGWKJHDSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000580079480 518997846 /nfs/dbraw/zinc/99/78/46/518997846.db2.gz QXFXDRCYVXRMFO-LAUBAEHRSA-N 1 3 369.484 2.991 20 0 FFADHO N[C@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000582953962 519005843 /nfs/dbraw/zinc/00/58/43/519005843.db2.gz ILGJQALMVNQOMN-HXUWFJFHSA-N 1 3 358.530 2.984 20 0 FFADHO N[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000582953962 519005850 /nfs/dbraw/zinc/00/58/50/519005850.db2.gz ILGJQALMVNQOMN-HXUWFJFHSA-N 1 3 358.530 2.984 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000582992576 519023312 /nfs/dbraw/zinc/02/33/12/519023312.db2.gz DHOZWBGBGZMPND-QZTJIDSGSA-N 1 3 352.567 2.726 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000582992576 519023323 /nfs/dbraw/zinc/02/33/23/519023323.db2.gz DHOZWBGBGZMPND-QZTJIDSGSA-N 1 3 352.567 2.726 20 0 FFADHO Cc1cccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000577526037 519125478 /nfs/dbraw/zinc/12/54/78/519125478.db2.gz ZIIVHSKHWQEIPE-RXVVDRJESA-N 1 3 353.510 2.935 20 0 FFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565777529 519128657 /nfs/dbraw/zinc/12/86/57/519128657.db2.gz LDFQOQDXNQKNSK-ZACQAIPSSA-N 1 3 352.482 2.883 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOC(C)(C)CC)CC2)CC1 ZINC000574413873 519145033 /nfs/dbraw/zinc/14/50/33/519145033.db2.gz LUZBYYTVXVNYIP-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000577637603 519181672 /nfs/dbraw/zinc/18/16/72/519181672.db2.gz JVSVJAOJCQRQKK-MSOLQXFVSA-N 1 3 365.468 2.602 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000577637603 519181685 /nfs/dbraw/zinc/18/16/85/519181685.db2.gz JVSVJAOJCQRQKK-MSOLQXFVSA-N 1 3 365.468 2.602 20 0 FFADHO CN1CCC(Oc2ccc(C[NH2+]CCC(=O)Nc3cccnc3)cc2)CC1 ZINC000574513191 519192060 /nfs/dbraw/zinc/19/20/60/519192060.db2.gz HVNVYVRZSDWODE-UHFFFAOYSA-N 1 3 368.481 2.673 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H](N)c1ccccc1 ZINC000565940718 519208313 /nfs/dbraw/zinc/20/83/13/519208313.db2.gz OKDFNVZMGRJBKD-MEGFKASBSA-N 1 3 369.484 2.971 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc2C1 ZINC000583379627 519218692 /nfs/dbraw/zinc/21/86/92/519218692.db2.gz HWEBFKVXPYWQSA-RBBKRZOGSA-N 1 3 363.505 2.827 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000568807727 519222604 /nfs/dbraw/zinc/22/26/04/519222604.db2.gz DXWFILLJOVREQZ-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000568807727 519222611 /nfs/dbraw/zinc/22/26/11/519222611.db2.gz DXWFILLJOVREQZ-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000577747603 519235941 /nfs/dbraw/zinc/23/59/41/519235941.db2.gz PBLGXBVOESUTHS-NNMXDRDESA-N 1 3 373.541 2.629 20 0 FFADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000571789374 519275977 /nfs/dbraw/zinc/27/59/77/519275977.db2.gz RHDPXJZJXOSADX-LJQANCHMSA-N 1 3 352.482 2.994 20 0 FFADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000571789374 519275985 /nfs/dbraw/zinc/27/59/85/519275985.db2.gz RHDPXJZJXOSADX-LJQANCHMSA-N 1 3 352.482 2.994 20 0 FFADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000571789374 519275991 /nfs/dbraw/zinc/27/59/91/519275991.db2.gz RHDPXJZJXOSADX-LJQANCHMSA-N 1 3 352.482 2.994 20 0 FFADHO Ic1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)s1 ZINC000590601704 519283713 /nfs/dbraw/zinc/28/37/13/519283713.db2.gz NNYDDHRSPNABOJ-SNVBAGLBSA-N 1 3 362.280 2.927 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000583626691 519348908 /nfs/dbraw/zinc/34/89/08/519348908.db2.gz CBQLEAUHCFVHIL-XJKSGUPXSA-N 1 3 358.404 2.685 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000566229627 519380105 /nfs/dbraw/zinc/38/01/05/519380105.db2.gz IGOLZCBMXVBJCG-YADHBBJMSA-N 1 3 367.493 2.989 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000566466880 519508026 /nfs/dbraw/zinc/50/80/26/519508026.db2.gz QERVZSHQPQORQH-KRWDZBQOSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2conc2C(C)(C)[NH3+])N2CCCC2)cc1 ZINC000566472717 519510880 /nfs/dbraw/zinc/51/08/80/519510880.db2.gz SDJGIKJFWRTCBY-QGZVFWFLSA-N 1 3 356.470 2.744 20 0 FFADHO CN(Cc1cncc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1)[C@@H]1CCCC[C@H]1O ZINC000578293184 519514881 /nfs/dbraw/zinc/51/48/81/519514881.db2.gz YCIFILMZWVYWJB-XRXFAXGQSA-N 1 3 361.530 2.552 20 0 FFADHO CN(Cc1cncc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1)[C@@H]1CCCC[C@H]1O ZINC000578293184 519514885 /nfs/dbraw/zinc/51/48/85/519514885.db2.gz YCIFILMZWVYWJB-XRXFAXGQSA-N 1 3 361.530 2.552 20 0 FFADHO CC(C)[C@H](C(=O)NCC1(N2CCSCC2)CCCC1)[NH+]1CCCCC1 ZINC000591132092 519524788 /nfs/dbraw/zinc/52/47/88/519524788.db2.gz BQKXXFFQFNFFMF-GOSISDBHSA-N 1 3 367.603 2.975 20 0 FFADHO [NH3+][C@H]1CCc2ncc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2C1 ZINC000572291347 519539425 /nfs/dbraw/zinc/53/94/25/519539425.db2.gz KGVSUZOUUIXAIY-IBGZPJMESA-N 1 3 364.493 2.748 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000572298034 519543148 /nfs/dbraw/zinc/54/31/48/519543148.db2.gz GNSJYXZISFICBO-KRWDZBQOSA-N 1 3 352.910 2.726 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000572419343 519603639 /nfs/dbraw/zinc/60/36/39/519603639.db2.gz LUPZCWUYYKALNP-GOSISDBHSA-N 1 3 360.546 2.854 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000572419343 519603642 /nfs/dbraw/zinc/60/36/42/519603642.db2.gz LUPZCWUYYKALNP-GOSISDBHSA-N 1 3 360.546 2.854 20 0 FFADHO Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)ccc1C[NH+](C)C ZINC000616242410 519952797 /nfs/dbraw/zinc/95/27/97/519952797.db2.gz SHYZWMGEHPPWSF-HZPDHXFCSA-N 1 3 374.403 2.979 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000591579526 519958529 /nfs/dbraw/zinc/95/85/29/519958529.db2.gz VEXBSVZRHLXELW-SFTDATJTSA-N 1 3 372.557 2.930 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000591579526 519958534 /nfs/dbraw/zinc/95/85/34/519958534.db2.gz VEXBSVZRHLXELW-SFTDATJTSA-N 1 3 372.557 2.930 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CCC2 ZINC000594502180 520006860 /nfs/dbraw/zinc/00/68/60/520006860.db2.gz YZJPWSFAUITBEG-OXQOHEQNSA-N 1 3 360.498 2.941 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000594502180 520006868 /nfs/dbraw/zinc/00/68/68/520006868.db2.gz YZJPWSFAUITBEG-OXQOHEQNSA-N 1 3 360.498 2.941 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000608691744 520084961 /nfs/dbraw/zinc/08/49/61/520084961.db2.gz BXRSWGIPFAFFEQ-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000612964994 520244201 /nfs/dbraw/zinc/24/42/01/520244201.db2.gz WFAUUEFGYGLPQM-RTBURBONSA-N 1 3 374.529 2.519 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000617348857 520443339 /nfs/dbraw/zinc/44/33/39/520443339.db2.gz HVORZKBDUCYRMV-IBGZPJMESA-N 1 3 372.557 2.578 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000617348857 520443349 /nfs/dbraw/zinc/44/33/49/520443349.db2.gz HVORZKBDUCYRMV-IBGZPJMESA-N 1 3 372.557 2.578 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000613375597 520470462 /nfs/dbraw/zinc/47/04/62/520470462.db2.gz ONDUGTKRECTRGX-GHTZIAJQSA-N 1 3 355.526 2.708 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000613375597 520470467 /nfs/dbraw/zinc/47/04/67/520470467.db2.gz ONDUGTKRECTRGX-GHTZIAJQSA-N 1 3 355.526 2.708 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)c2ccccc2)CC1 ZINC000604178931 520472447 /nfs/dbraw/zinc/47/24/47/520472447.db2.gz LSKMSZJBDLLCBU-FPOVZHCZSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506812 520544940 /nfs/dbraw/zinc/54/49/40/520544940.db2.gz ZYVQIEUWVKXEJW-CVEARBPZSA-N 1 3 353.938 2.907 20 0 FFADHO C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506812 520544947 /nfs/dbraw/zinc/54/49/47/520544947.db2.gz ZYVQIEUWVKXEJW-CVEARBPZSA-N 1 3 353.938 2.907 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000604638936 520625091 /nfs/dbraw/zinc/62/50/91/520625091.db2.gz POVHCXNWHDEHTO-XBMUEBEBSA-N 1 3 350.551 2.767 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1 ZINC000592958074 520659675 /nfs/dbraw/zinc/65/96/75/520659675.db2.gz VGLLRRJMGAYUNJ-INIZCTEOSA-N 1 3 355.486 2.813 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000601242681 520705091 /nfs/dbraw/zinc/70/50/91/520705091.db2.gz MYPWLPKCQBAZJQ-RTBURBONSA-N 1 3 350.551 2.621 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000601254082 520709934 /nfs/dbraw/zinc/70/99/34/520709934.db2.gz BHTKTJZTIASVRG-VQTJNVASSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000617973872 520811770 /nfs/dbraw/zinc/81/17/70/520811770.db2.gz VOJODKVRFQJNMN-UHFFFAOYSA-N 1 3 358.530 2.530 20 0 FFADHO COC(=O)CC1CCC([NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000599026483 520988383 /nfs/dbraw/zinc/98/83/83/520988383.db2.gz BMPNNNMWCIJQMO-UHFFFAOYSA-N 1 3 374.525 2.855 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(OCCN(C)C)c1 ZINC000606589987 521106959 /nfs/dbraw/zinc/10/69/59/521106959.db2.gz SUZOHJQVZFHKCR-KRWDZBQOSA-N 1 3 362.518 2.930 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599302162 521138040 /nfs/dbraw/zinc/13/80/40/521138040.db2.gz ABIBUOUKGMXFFN-MPQSDHOMSA-N 1 3 368.562 2.913 20 0 FFADHO CCN(CC)C[C@H]1CC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599302162 521138048 /nfs/dbraw/zinc/13/80/48/521138048.db2.gz ABIBUOUKGMXFFN-MPQSDHOMSA-N 1 3 368.562 2.913 20 0 FFADHO CCN(CC)C[C@H]1CC[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599302162 521138055 /nfs/dbraw/zinc/13/80/55/521138055.db2.gz ABIBUOUKGMXFFN-MPQSDHOMSA-N 1 3 368.562 2.913 20 0 FFADHO CCS[C@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692267 521224621 /nfs/dbraw/zinc/22/46/21/521224621.db2.gz ATBWMGUQZGKMSJ-BBWFWOEESA-N 1 3 358.596 2.574 20 0 FFADHO CCS[C@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692267 521224622 /nfs/dbraw/zinc/22/46/22/521224622.db2.gz ATBWMGUQZGKMSJ-BBWFWOEESA-N 1 3 358.596 2.574 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000611669971 521272690 /nfs/dbraw/zinc/27/26/90/521272690.db2.gz LJGBBMJMHKFCFV-HXUWFJFHSA-N 1 3 360.546 2.835 20 0 FFADHO CC(C)Oc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000607230661 521301623 /nfs/dbraw/zinc/30/16/23/521301623.db2.gz DPXRWMRAVWIPPT-QGZVFWFLSA-N 1 3 364.534 2.670 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000607245509 521304525 /nfs/dbraw/zinc/30/45/25/521304525.db2.gz LBXOYWHYSAQTQG-ZDUSSCGKSA-N 1 3 360.955 2.987 20 0 FFADHO C[C@H](C(=O)N(C)[C@H]1CCCN(C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607687163 521429499 /nfs/dbraw/zinc/42/94/99/521429499.db2.gz MOALDDUQBALOGW-NQIIRXRSSA-N 1 3 357.542 2.882 20 0 FFADHO COC(=O)c1[nH]c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C ZINC000602705966 521487494 /nfs/dbraw/zinc/48/74/94/521487494.db2.gz FJSRFRVLMMWCFU-UHFFFAOYSA-N 1 3 356.470 2.507 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@@H](C(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000602847065 521568596 /nfs/dbraw/zinc/56/85/96/521568596.db2.gz RMWOODSTQUACGQ-LJQANCHMSA-N 1 3 365.562 2.599 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@@H](C(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000602847065 521568602 /nfs/dbraw/zinc/56/86/02/521568602.db2.gz RMWOODSTQUACGQ-LJQANCHMSA-N 1 3 365.562 2.599 20 0 FFADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc(F)cc1 ZINC000625940977 521797206 /nfs/dbraw/zinc/79/72/06/521797206.db2.gz NXAMIBCEPQECAV-GOSISDBHSA-N 1 3 372.444 2.732 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccnc(N2CCSCC2)c1 ZINC000635005947 521860352 /nfs/dbraw/zinc/86/03/52/521860352.db2.gz ACXUKPUSYBQQAF-AWEZNQCLSA-N 1 3 357.527 2.648 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000626164985 521985028 /nfs/dbraw/zinc/98/50/28/521985028.db2.gz YDCHRPFFEWGLIU-RTWAWAEBSA-N 1 3 355.526 2.809 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000626164985 521985037 /nfs/dbraw/zinc/98/50/37/521985037.db2.gz YDCHRPFFEWGLIU-RTWAWAEBSA-N 1 3 355.526 2.809 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](OC)C3CCCC3)CC2)CC1 ZINC000620165420 522094944 /nfs/dbraw/zinc/09/49/44/522094944.db2.gz ZRKJVBPJEUSWSR-FQEVSTJZSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N(C)C ZINC000620192228 522110767 /nfs/dbraw/zinc/11/07/67/522110767.db2.gz IPOLZFWAQBHIGG-PMACEKPBSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N(C)C ZINC000620192228 522110771 /nfs/dbraw/zinc/11/07/71/522110771.db2.gz IPOLZFWAQBHIGG-PMACEKPBSA-N 1 3 357.542 2.991 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635277799 522113212 /nfs/dbraw/zinc/11/32/12/522113212.db2.gz JNQBMKFIJRMGGM-UHFFFAOYSA-N 1 3 355.526 2.686 20 0 FFADHO C[N@H+](CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000623645407 522190608 /nfs/dbraw/zinc/19/06/08/522190608.db2.gz CQVXIVVMUPHDML-IBGZPJMESA-N 1 3 358.530 2.674 20 0 FFADHO C[N@@H+](CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000623645407 522190614 /nfs/dbraw/zinc/19/06/14/522190614.db2.gz CQVXIVVMUPHDML-IBGZPJMESA-N 1 3 358.530 2.674 20 0 FFADHO CC[C@H](Cc1ccccc1Br)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629566887 522320565 /nfs/dbraw/zinc/32/05/65/522320565.db2.gz AYQFOWHCOIGXAR-HZPDHXFCSA-N 1 3 355.320 2.817 20 0 FFADHO CC[C@@H](Cc1ccccc1Br)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629566888 522322215 /nfs/dbraw/zinc/32/22/15/522322215.db2.gz AYQFOWHCOIGXAR-JKSUJKDBSA-N 1 3 355.320 2.817 20 0 FFADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000632868251 522343260 /nfs/dbraw/zinc/34/32/60/522343260.db2.gz PPJIQMZASGIXLQ-QEJZJMRPSA-N 1 3 356.388 2.898 20 0 FFADHO CN(C)CCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629657144 522378681 /nfs/dbraw/zinc/37/86/81/522378681.db2.gz UAOQANWECICOBD-DOTOQJQBSA-N 1 3 359.436 2.586 20 0 FFADHO CN1CCN(Cc2ccccc2-c2ccc([C@@H]3COCCN3)cc2)CC1 ZINC000629735131 522425195 /nfs/dbraw/zinc/42/51/95/522425195.db2.gz JKSNEUBHOMMRKS-QFIPXVFZSA-N 1 3 351.494 2.762 20 0 FFADHO CN1CC[NH+](Cc2ccccc2-c2ccc([C@@H]3COCCN3)cc2)CC1 ZINC000629735131 522425201 /nfs/dbraw/zinc/42/52/01/522425201.db2.gz JKSNEUBHOMMRKS-QFIPXVFZSA-N 1 3 351.494 2.762 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(OC)c1 ZINC000626927425 522535134 /nfs/dbraw/zinc/53/51/34/522535134.db2.gz ZQVVXKTXFILDMC-HHXXYDBFSA-N 1 3 362.518 2.518 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000633142860 522551829 /nfs/dbraw/zinc/55/18/29/522551829.db2.gz GIYHWLDQNLGIBP-RBUKOAKNSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@H](O)C[C@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000630037967 522596679 /nfs/dbraw/zinc/59/66/79/522596679.db2.gz MJXSMNAHBHGQBX-CIQXWFTPSA-N 1 3 360.542 2.883 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@H](O)C[C@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000630037967 522596687 /nfs/dbraw/zinc/59/66/87/522596687.db2.gz MJXSMNAHBHGQBX-CIQXWFTPSA-N 1 3 360.542 2.883 20 0 FFADHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1 ZINC000630052447 522611177 /nfs/dbraw/zinc/61/11/77/522611177.db2.gz WHKGDXZKBGDNHC-HXUWFJFHSA-N 1 3 351.498 2.928 20 0 FFADHO CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1 ZINC000630052447 522611186 /nfs/dbraw/zinc/61/11/86/522611186.db2.gz WHKGDXZKBGDNHC-HXUWFJFHSA-N 1 3 351.498 2.928 20 0 FFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000621647423 522993997 /nfs/dbraw/zinc/99/39/97/522993997.db2.gz IQYKJIVQICJHKJ-SFHVURJKSA-N 1 3 359.514 2.557 20 0 FFADHO CN(C)[C@@H](C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccsc1 ZINC000634640779 523543543 /nfs/dbraw/zinc/54/35/43/523543543.db2.gz HAGQKOLGSIDLGG-PMACEKPBSA-N 1 3 359.539 2.577 20 0 FFADHO CC1CC[NH+](C2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000824952877 607753525 /nfs/dbraw/zinc/75/35/25/607753525.db2.gz BRLDWMYHYXBKJE-UHFFFAOYSA-N 1 3 354.502 2.999 20 0 FFADHO CC1CC[NH+](C2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000824952877 607753526 /nfs/dbraw/zinc/75/35/26/607753526.db2.gz BRLDWMYHYXBKJE-UHFFFAOYSA-N 1 3 354.502 2.999 20 0 FFADHO CN(C)c1cc[nH+]c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164907692 721532123 /nfs/dbraw/zinc/53/21/23/721532123.db2.gz NYBXQUWLZPRZTP-PKOBYXMFSA-N 1 3 356.445 2.629 20 0 FFADHO CN(CC(=O)Nc1ccc(Br)cc1F)C1CCC([NH3+])CC1 ZINC000091847701 728463043 /nfs/dbraw/zinc/46/30/43/728463043.db2.gz KGSKNDLDVSAKIW-UHFFFAOYSA-N 1 3 358.255 2.728 20 0 FFADHO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183415504 729303537 /nfs/dbraw/zinc/30/35/37/729303537.db2.gz YCKREZUDWVGIFM-APWZRJJASA-N 1 3 350.503 2.729 20 0 FFADHO CC(C)(O)C[NH+]1CCC(Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000638237971 730016833 /nfs/dbraw/zinc/01/68/33/730016833.db2.gz AHBMSLKKNLAGHH-UHFFFAOYSA-N 1 3 363.571 2.883 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000638447680 730027609 /nfs/dbraw/zinc/02/76/09/730027609.db2.gz MQGNZWYELPMLNZ-KRWDZBQOSA-N 1 3 365.587 2.785 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CC1(F)F ZINC000638871023 730049713 /nfs/dbraw/zinc/04/97/13/730049713.db2.gz IXWCOARPCDDDNP-WMLDXEAASA-N 1 3 351.441 2.646 20 0 FFADHO Cc1nn(-c2ccccc2)c(Cl)c1CNCCC[N@@H+](C)CCN(C)C ZINC000857784398 730410350 /nfs/dbraw/zinc/41/03/50/730410350.db2.gz ZNOUCLBHELRCAH-UHFFFAOYSA-N 1 3 363.937 2.807 20 0 FFADHO Cc1nn(-c2ccccc2)c(Cl)c1CNCCC[N@H+](C)CCN(C)C ZINC000857784398 730410351 /nfs/dbraw/zinc/41/03/51/730410351.db2.gz ZNOUCLBHELRCAH-UHFFFAOYSA-N 1 3 363.937 2.807 20 0 FFADHO C[C@](NCCCC1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000647991981 730780833 /nfs/dbraw/zinc/78/08/33/730780833.db2.gz LTEGDNSMNFMLPV-QGZVFWFLSA-N 1 3 357.420 2.775 20 0 FFADHO COCC[C@@H](CNC1CC[NH+](C2CCC2)CC1)NC(=O)OC(C)(C)C ZINC000865434762 730954829 /nfs/dbraw/zinc/95/48/29/730954829.db2.gz QXQGHVUMJKFJII-INIZCTEOSA-N 1 3 355.523 2.523 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000650707692 731021999 /nfs/dbraw/zinc/02/19/99/731021999.db2.gz KXSQYAOSAXFHFN-ZTFGCOKTSA-N 1 3 350.890 2.993 20 0 FFADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000925677260 738522505 /nfs/dbraw/zinc/52/25/05/738522505.db2.gz WSRWBNPESWMNLY-HUUCEWRRSA-N 1 3 358.935 2.999 20 0 FFADHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000925677260 738522507 /nfs/dbraw/zinc/52/25/07/738522507.db2.gz WSRWBNPESWMNLY-HUUCEWRRSA-N 1 3 358.935 2.999 20 0 FFADHO CS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925829453 738533711 /nfs/dbraw/zinc/53/37/11/738533711.db2.gz OGBVKAUIULNBCA-RCCFBDPRSA-N 1 3 350.528 2.533 20 0 FFADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)cs1 ZINC000925849625 738536549 /nfs/dbraw/zinc/53/65/49/738536549.db2.gz JMWIQVBOKCQSAX-PWSUYJOCSA-N 1 3 373.316 2.847 20 0 FFADHO COc1ccc(CN[C@@H](C)CN(C)CCC[NH+](C)C)c(Br)c1 ZINC000657574070 731792249 /nfs/dbraw/zinc/79/22/49/731792249.db2.gz YFBIRTUXYDRLIF-AWEZNQCLSA-N 1 3 372.351 2.819 20 0 FFADHO c1c(CN2CCC(OC[C@H]3CCCCO3)CC2)sc2c1C[NH2+]CC2 ZINC000873206573 731890411 /nfs/dbraw/zinc/89/04/11/731890411.db2.gz BNRJGBBRJMDZFG-QGZVFWFLSA-N 1 3 350.528 2.944 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC2([NH3+])CCCC2)N(C)C)cc1 ZINC000659497314 731982596 /nfs/dbraw/zinc/98/25/96/731982596.db2.gz GURSCYSNVFIXFT-INIZCTEOSA-N 1 3 350.532 2.582 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC[C@H]21 ZINC000875004111 732119311 /nfs/dbraw/zinc/11/93/11/732119311.db2.gz JCDPBPURMRBGHE-BRWVUGGUSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC[C@H]21 ZINC000875004111 732119312 /nfs/dbraw/zinc/11/93/12/732119312.db2.gz JCDPBPURMRBGHE-BRWVUGGUSA-N 1 3 362.543 2.621 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000661404094 732200481 /nfs/dbraw/zinc/20/04/81/732200481.db2.gz SPDPZMHBVUHYIE-SFHVURJKSA-N 1 3 352.567 2.917 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110789 732216972 /nfs/dbraw/zinc/21/69/72/732216972.db2.gz SGYUWBBSMYQBSC-UHFFFAOYSA-N 1 3 350.507 2.616 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876766716 732278936 /nfs/dbraw/zinc/27/89/36/732278936.db2.gz QQFDNDMNMZFVAT-INIZCTEOSA-N 1 3 364.559 2.913 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccc(Cl)nn2)CC1 ZINC000876937886 732299328 /nfs/dbraw/zinc/29/93/28/732299328.db2.gz HPQXXPRRYUTQPA-UHFFFAOYSA-N 1 3 359.905 2.557 20 0 FFADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc2c(s1)CCNC2 ZINC000662380400 732308422 /nfs/dbraw/zinc/30/84/22/732308422.db2.gz LMACGWIEUNCWJY-UHFFFAOYSA-N 1 3 355.507 2.572 20 0 FFADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc2c(s1)CCNC2 ZINC000662380400 732308426 /nfs/dbraw/zinc/30/84/26/732308426.db2.gz LMACGWIEUNCWJY-UHFFFAOYSA-N 1 3 355.507 2.572 20 0 FFADHO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C1(NC2CC2)CCC1 ZINC000662702089 732347700 /nfs/dbraw/zinc/34/77/00/732347700.db2.gz XISWATSEFXDJAS-UHFFFAOYSA-N 1 3 359.539 2.891 20 0 FFADHO CN(Cc1c(Cl)cncc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526919 732380645 /nfs/dbraw/zinc/38/06/45/732380645.db2.gz WEUZHGVRPFELAZ-CQSZACIVSA-N 1 3 357.329 2.989 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(NCc2c(F)cc(C)cc2Cl)CC1 ZINC000663506869 732451866 /nfs/dbraw/zinc/45/18/66/732451866.db2.gz WIQVISQEONZPLB-UHFFFAOYSA-N 1 3 355.885 2.868 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000665758200 732752103 /nfs/dbraw/zinc/75/21/03/732752103.db2.gz AUVKHVBMGZKLLT-HNNXBMFYSA-N 1 3 366.937 2.900 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000665758200 732752109 /nfs/dbraw/zinc/75/21/09/732752109.db2.gz AUVKHVBMGZKLLT-HNNXBMFYSA-N 1 3 366.937 2.900 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000665763950 732753581 /nfs/dbraw/zinc/75/35/81/732753581.db2.gz PSNIZROYKPKESK-LSDHHAIUSA-N 1 3 366.472 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000665763950 732753585 /nfs/dbraw/zinc/75/35/85/732753585.db2.gz PSNIZROYKPKESK-LSDHHAIUSA-N 1 3 366.472 2.632 20 0 FFADHO CC(C)CN(CC(=O)Nc1cccnc1Cl)CC1CC[NH+](C)CC1 ZINC000879704075 732754486 /nfs/dbraw/zinc/75/44/86/732754486.db2.gz KDZBHPBISYSEQH-UHFFFAOYSA-N 1 3 352.910 2.973 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)c2cccs2)CC1 ZINC000668644652 733148695 /nfs/dbraw/zinc/14/86/95/733148695.db2.gz APBOVTSLXOSMEO-DLBZAZTESA-N 1 3 364.559 2.962 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC[C@@H]1[NH3+] ZINC000669279401 733207544 /nfs/dbraw/zinc/20/75/44/733207544.db2.gz DNQURYJRXYJMRW-PVAVHDDUSA-N 1 3 352.548 2.900 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000891542651 734443589 /nfs/dbraw/zinc/44/35/89/734443589.db2.gz MEAOJQZIUXBUMO-ZACQAIPSSA-N 1 3 362.543 2.763 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000891542651 734443591 /nfs/dbraw/zinc/44/35/91/734443591.db2.gz MEAOJQZIUXBUMO-ZACQAIPSSA-N 1 3 362.543 2.763 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727072333 734463476 /nfs/dbraw/zinc/46/34/76/734463476.db2.gz MDHORQDZIAETKG-UHFFFAOYSA-N 1 3 350.576 2.513 20 0 FFADHO CCOCc1nc(Cl)cc(NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000892153909 734522966 /nfs/dbraw/zinc/52/29/66/734522966.db2.gz SPZMHARKNQRDDX-UHFFFAOYSA-N 1 3 367.925 2.637 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(CC(F)(F)F)s2)CC1 ZINC000893106668 734652170 /nfs/dbraw/zinc/65/21/70/734652170.db2.gz RZAYONHSWIFMMQ-UHFFFAOYSA-N 1 3 351.438 2.573 20 0 FFADHO O[C@H](C[C@H]1CCCCCN1C[C@H](O)C[NH+]1CCCC1)c1cccs1 ZINC000750983313 735833078 /nfs/dbraw/zinc/83/30/78/735833078.db2.gz JABVANRCDDNFDZ-KZNAEPCWSA-N 1 3 352.544 2.873 20 0 FFADHO CS(=O)(=O)CC1(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902346526 735935449 /nfs/dbraw/zinc/93/54/49/735935449.db2.gz IJXINZRWGOVBCO-INIZCTEOSA-N 1 3 360.470 2.549 20 0 FFADHO Cc1ccc([C@H](N[C@H]2C[C@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000902485748 735951588 /nfs/dbraw/zinc/95/15/88/735951588.db2.gz NOUNCEOJCPANSG-QSFXBCCZSA-N 1 3 358.507 2.815 20 0 FFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000903214364 736056794 /nfs/dbraw/zinc/05/67/94/736056794.db2.gz YWCMSVHUPCGAJP-DJXYKJKZSA-N 1 3 362.539 2.941 20 0 FFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000903214364 736056801 /nfs/dbraw/zinc/05/68/01/736056801.db2.gz YWCMSVHUPCGAJP-DJXYKJKZSA-N 1 3 362.539 2.941 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN(C)CCOc2ccc(Cl)cc2)cnn1C ZINC000903876126 736182117 /nfs/dbraw/zinc/18/21/17/736182117.db2.gz DDPIMTPHUSBTHV-HNNXBMFYSA-N 1 3 350.894 2.510 20 0 FFADHO c1nc(N2CCOCC2)sc1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904412474 736249333 /nfs/dbraw/zinc/24/93/33/736249333.db2.gz UKBYJMXIHFTYPR-MRXNPFEDSA-N 1 3 364.559 2.581 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760158853 736618678 /nfs/dbraw/zinc/61/86/78/736618678.db2.gz NDWLPNKBBBMPBD-RYUDHWBXSA-N 1 3 373.328 2.814 20 0 FFADHO CN(C)C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1cccc(C(F)(F)F)c1 ZINC000913425869 737404317 /nfs/dbraw/zinc/40/43/17/737404317.db2.gz HESKIYSJWAGXFF-OAHLLOKOSA-N 1 3 355.404 2.520 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=S)NC1CCN(C)CC1 ZINC000920996793 737939067 /nfs/dbraw/zinc/93/90/67/737939067.db2.gz AQGCBHSHPJWLSF-UHFFFAOYSA-N 1 3 362.587 2.799 20 0 FFADHO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775389249 738089698 /nfs/dbraw/zinc/08/96/98/738089698.db2.gz VOMDOGJRNODHCV-UZLBHIALSA-N 1 3 350.503 2.729 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3F)C2)[C@@H]1C(C)C ZINC000922394702 738136823 /nfs/dbraw/zinc/13/68/23/738136823.db2.gz RNZSOLXAUMODEN-YAJHFMINSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3F)C2)[C@@H]1C(C)C ZINC000922394702 738136824 /nfs/dbraw/zinc/13/68/24/738136824.db2.gz RNZSOLXAUMODEN-YAJHFMINSA-N 1 3 350.478 2.794 20 0 FFADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccccc1Cl ZINC000819172763 742347663 /nfs/dbraw/zinc/34/76/63/742347663.db2.gz GCCWQPWBDPCUGG-OTWHNJEPSA-N 1 3 352.906 2.731 20 0 FFADHO CC[NH+]1CCC(N2CCCN(C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)CC1 ZINC000930749618 739157534 /nfs/dbraw/zinc/15/75/34/739157534.db2.gz BIFILFLLQGRATQ-IAGOWNOFSA-N 1 3 363.468 2.588 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)COCC2CCCCC2)CC1 ZINC000932426282 739452094 /nfs/dbraw/zinc/45/20/94/739452094.db2.gz YWLYOIOILDWKFN-QGZVFWFLSA-N 1 3 353.551 2.550 20 0 FFADHO Cc1ncc(CN2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000948385373 740343525 /nfs/dbraw/zinc/34/35/25/740343525.db2.gz LVBIXDGRCFSEPG-QGPMSJSTSA-N 1 3 364.559 2.605 20 0 FFADHO Cc1ncc(CN2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000948385373 740343526 /nfs/dbraw/zinc/34/35/26/740343526.db2.gz LVBIXDGRCFSEPG-QGPMSJSTSA-N 1 3 364.559 2.605 20 0 FFADHO Cc1ncc(CN2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000948385374 740343715 /nfs/dbraw/zinc/34/37/15/740343715.db2.gz LVBIXDGRCFSEPG-UWWQBHOKSA-N 1 3 364.559 2.605 20 0 FFADHO Cc1ncc(CN2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000948385374 740343719 /nfs/dbraw/zinc/34/37/19/740343719.db2.gz LVBIXDGRCFSEPG-UWWQBHOKSA-N 1 3 364.559 2.605 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCc3ccsc3)CC2(C)C)CC[N@@H+]1C ZINC000974603473 740885789 /nfs/dbraw/zinc/88/57/89/740885789.db2.gz CCFJSGOSCFXCIK-KBAYOESNSA-N 1 3 363.571 2.848 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCc3ccsc3)CC2(C)C)CC[N@H+]1C ZINC000974603473 740885790 /nfs/dbraw/zinc/88/57/90/740885790.db2.gz CCFJSGOSCFXCIK-KBAYOESNSA-N 1 3 363.571 2.848 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000810252220 741401807 /nfs/dbraw/zinc/40/18/07/741401807.db2.gz LWFCCBGOSJOQID-FQEVSTJZSA-N 1 3 353.526 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000997092874 742005956 /nfs/dbraw/zinc/00/59/56/742005956.db2.gz GAFRMJXOUIMCHR-VNQPRFMTSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(CCC(F)(F)F)CC2)CC[N@H+]1C ZINC000997092874 742005958 /nfs/dbraw/zinc/00/59/58/742005958.db2.gz GAFRMJXOUIMCHR-VNQPRFMTSA-N 1 3 363.468 2.886 20 0 FFADHO Cc1cccc(Cl)c1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549692 742793097 /nfs/dbraw/zinc/79/30/97/742793097.db2.gz VEIQEKBEEBHUDB-BRWVUGGUSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cccc(Cl)c1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549692 742793099 /nfs/dbraw/zinc/79/30/99/742793099.db2.gz VEIQEKBEEBHUDB-BRWVUGGUSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1nc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)sc1C ZINC001034648067 742928341 /nfs/dbraw/zinc/92/83/41/742928341.db2.gz XBHSRZAKZZGVEC-MWQQHZPXSA-N 1 3 364.559 2.617 20 0 FFADHO Cc1nc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)sc1C ZINC001034648067 742928345 /nfs/dbraw/zinc/92/83/45/742928345.db2.gz XBHSRZAKZZGVEC-MWQQHZPXSA-N 1 3 364.559 2.617 20 0 FFADHO CC1CCN(CCC[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823601757 742944151 /nfs/dbraw/zinc/94/41/51/742944151.db2.gz AHXDJMFYXVMEAZ-PXNSSMCTSA-N 1 3 351.535 2.955 20 0 FFADHO CC(C)(C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)CN1CCCC1 ZINC000824281226 743049352 /nfs/dbraw/zinc/04/93/52/743049352.db2.gz DMPUCPSCOAPYNY-OXQOHEQNSA-N 1 3 351.535 2.955 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827067352 743498748 /nfs/dbraw/zinc/49/87/48/743498748.db2.gz DQXGTPOXXWCYIA-XNRPHZJLSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827067352 743498755 /nfs/dbraw/zinc/49/87/55/743498755.db2.gz DQXGTPOXXWCYIA-XNRPHZJLSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000827441005 743576863 /nfs/dbraw/zinc/57/68/63/743576863.db2.gz OVPSLQOIQLYHFC-XJKSGUPXSA-N 1 3 352.910 2.672 20 0 FFADHO Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc(Cl)n1 ZINC000831769818 745581861 /nfs/dbraw/zinc/58/18/61/745581861.db2.gz YFTSZYMZEOGOTL-IRXDYDNUSA-N 1 3 360.889 2.852 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(CC[NH+](C)C)C2CCCC2)cc(Cl)n1 ZINC000843485808 747844370 /nfs/dbraw/zinc/84/43/70/747844370.db2.gz NTEMIBQXYDWLMB-MRXNPFEDSA-N 1 3 352.910 2.766 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[NH+]2CCCCCC2)cc(Cl)n1 ZINC000844165668 747982423 /nfs/dbraw/zinc/98/24/23/747982423.db2.gz MOVFOUWFDMKPEX-MRXNPFEDSA-N 1 3 352.910 2.816 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(Cl)n1 ZINC000844178209 747983350 /nfs/dbraw/zinc/98/33/50/747983350.db2.gz MCSFPLRROQYDBV-HOTGVXAUSA-N 1 3 350.894 2.520 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Cl)nc3)CC2)CC1 ZINC000847360807 748684965 /nfs/dbraw/zinc/68/49/65/748684965.db2.gz GQLHJHDOWCBZAQ-UHFFFAOYSA-N 1 3 364.921 2.548 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@@H](SC)C3)CC2)CC1 ZINC000847528295 748719783 /nfs/dbraw/zinc/71/97/83/748719783.db2.gz FRIFWUINYUAVRK-FUHWJXTLSA-N 1 3 353.576 2.583 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000849275356 749083233 /nfs/dbraw/zinc/08/32/33/749083233.db2.gz MIMILQFDZUUPHM-ZDUSSCGKSA-N 1 3 374.501 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000849275356 749083239 /nfs/dbraw/zinc/08/32/39/749083239.db2.gz MIMILQFDZUUPHM-ZDUSSCGKSA-N 1 3 374.501 2.846 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000851992956 749745176 /nfs/dbraw/zinc/74/51/76/749745176.db2.gz GPKTUTFDYJKUPW-MRXNPFEDSA-N 1 3 355.910 2.527 20 0 FFADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000851992955 749745419 /nfs/dbraw/zinc/74/54/19/749745419.db2.gz GPKTUTFDYJKUPW-INIZCTEOSA-N 1 3 355.910 2.527 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000659916619 970867279 /nfs/dbraw/zinc/86/72/79/970867279.db2.gz NSMIQTHIEFNZTQ-IBGZPJMESA-N 1 3 362.493 2.781 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000659916619 970867291 /nfs/dbraw/zinc/86/72/91/970867291.db2.gz NSMIQTHIEFNZTQ-IBGZPJMESA-N 1 3 362.493 2.781 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1 ZINC001104810017 970874258 /nfs/dbraw/zinc/87/42/58/970874258.db2.gz VVMHAFLPTBHGSA-OXQOHEQNSA-N 1 3 360.546 2.614 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001267750525 971021174 /nfs/dbraw/zinc/02/11/74/971021174.db2.gz IJAPNNDOSGQPBG-AOIWGVFYSA-N 1 3 365.468 2.568 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001267750525 971021185 /nfs/dbraw/zinc/02/11/85/971021185.db2.gz IJAPNNDOSGQPBG-AOIWGVFYSA-N 1 3 365.468 2.568 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NCc2ccc(Nc3ccncc3)cc2)CC1 ZINC000895916016 971082965 /nfs/dbraw/zinc/08/29/65/971082965.db2.gz SOJXHKQKSMZZLN-UHFFFAOYSA-N 1 3 365.481 2.627 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001267853394 971505683 /nfs/dbraw/zinc/50/56/83/971505683.db2.gz NUUPKDRGHLWZHZ-FBBABVLZSA-N 1 3 361.505 2.931 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCc2ccccc2F)C2CC2)CC[N@H+]1C ZINC001267853394 971505689 /nfs/dbraw/zinc/50/56/89/971505689.db2.gz NUUPKDRGHLWZHZ-FBBABVLZSA-N 1 3 361.505 2.931 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087992685 971735458 /nfs/dbraw/zinc/73/54/58/971735458.db2.gz HBTZEJBZICNXRP-FLAABDKUSA-N 1 3 367.537 2.820 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087992685 971735465 /nfs/dbraw/zinc/73/54/65/971735465.db2.gz HBTZEJBZICNXRP-FLAABDKUSA-N 1 3 367.537 2.820 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993211 971737427 /nfs/dbraw/zinc/73/74/27/971737427.db2.gz FFJIJUAUZPVXHH-HKBOAZHASA-N 1 3 355.526 2.616 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993211 971737431 /nfs/dbraw/zinc/73/74/31/971737431.db2.gz FFJIJUAUZPVXHH-HKBOAZHASA-N 1 3 355.526 2.616 20 0 FFADHO CC[NH+]1CCC(CN2CCC[C@@]3(CC(=O)N(C4CCCC4)C3=O)C2)CC1 ZINC001275878403 1013127774 /nfs/dbraw/zinc/12/77/74/1013127774.db2.gz KDAUOIPIERLPLX-OAQYLSRUSA-N 1 3 361.530 2.502 20 0 FFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c(C)c1 ZINC000974608312 972056551 /nfs/dbraw/zinc/05/65/51/972056551.db2.gz YTSQBEITNPSLLV-RLLQIKCJSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c(C)c1 ZINC000974608312 972056560 /nfs/dbraw/zinc/05/65/60/972056560.db2.gz YTSQBEITNPSLLV-RLLQIKCJSA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)(CNC(=O)N1CCC(CC[NH3+])CC1)N1CCc2ccccc2C1 ZINC000652131446 972262656 /nfs/dbraw/zinc/26/26/56/972262656.db2.gz YRQQGXMIBPURER-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](C4CCC4)C3)CC2)CC1 ZINC000660573579 972257435 /nfs/dbraw/zinc/25/74/35/972257435.db2.gz IUQIIBADACSRCX-GOSISDBHSA-N 1 3 362.562 2.767 20 0 FFADHO CCCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)[C@@H]1CCN(C)C1 ZINC000649000778 1013166389 /nfs/dbraw/zinc/16/63/89/1013166389.db2.gz BVZNMQSGBKGUBC-OAQYLSRUSA-N 1 3 372.557 2.773 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000654996897 959254851 /nfs/dbraw/zinc/25/48/51/959254851.db2.gz JKUMMCZZQMYFML-CWJKEVGVSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000654996897 959254859 /nfs/dbraw/zinc/25/48/59/959254859.db2.gz JKUMMCZZQMYFML-CWJKEVGVSA-N 1 3 355.526 2.745 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000655273978 959693107 /nfs/dbraw/zinc/69/31/07/959693107.db2.gz UOJNRPKCXLXCMB-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000655273978 959693113 /nfs/dbraw/zinc/69/31/13/959693113.db2.gz UOJNRPKCXLXCMB-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO c1ccc(CN(Cc2ccccc2)C2(C[NH2+][C@@H]3CCCNC3)COC2)cc1 ZINC000705614184 960125171 /nfs/dbraw/zinc/12/51/71/960125171.db2.gz CZQAZSCNXQYDNW-JOCHJYFZSA-N 1 3 365.521 2.799 20 0 FFADHO Cc1nn(-c2ccc(C)cc2)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000655748419 961234314 /nfs/dbraw/zinc/23/43/14/961234314.db2.gz AISWNPJUYMMGLB-UHFFFAOYSA-N 1 3 356.514 2.814 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCc1ccccc1 ZINC001104287630 961820806 /nfs/dbraw/zinc/82/08/06/961820806.db2.gz IQZGNERKXPVYPL-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCc1cccs1 ZINC001104292094 962349285 /nfs/dbraw/zinc/34/92/85/962349285.db2.gz KBPOHCAERJUTGX-SZVBFZGTSA-N 1 3 363.571 2.705 20 0 FFADHO COc1ccc([C@H](CNC(=O)c2coc(CN)c2)[NH+]2CCCCC2)cc1 ZINC000188028355 963573193 /nfs/dbraw/zinc/57/31/93/963573193.db2.gz GWFLSWRDJPKHJJ-IBGZPJMESA-N 1 3 357.454 2.704 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000891411698 963898265 /nfs/dbraw/zinc/89/82/65/963898265.db2.gz OZVMRUVELSJBIY-PRHYDEJPSA-N 1 3 356.514 2.652 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2nc(-c3ccncc3)cs2)CC[NH2+]CC1 ZINC000873283017 1013459563 /nfs/dbraw/zinc/45/95/63/1013459563.db2.gz MQHOKTVHDHPECT-AWEZNQCLSA-N 1 3 374.510 2.616 20 0 FFADHO c1cn([C@@H]2CCCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nn1 ZINC000644905280 964066826 /nfs/dbraw/zinc/06/68/26/964066826.db2.gz RWMGGNOTQQMBCX-LJQANCHMSA-N 1 3 355.486 2.590 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CN1C1CC1 ZINC000664368515 964204563 /nfs/dbraw/zinc/20/45/63/964204563.db2.gz SVWDZRQMGMFRRF-QFUCXCTJSA-N 1 3 370.541 2.570 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CN1C1CC1 ZINC000664368515 964204573 /nfs/dbraw/zinc/20/45/73/964204573.db2.gz SVWDZRQMGMFRRF-QFUCXCTJSA-N 1 3 370.541 2.570 20 0 FFADHO Cc1ccc2[nH]c(CN3CC[C@@H]4[C@H]3CCC(=O)N4CC[NH+](C)C)cc2c1 ZINC001276124468 1013488117 /nfs/dbraw/zinc/48/81/17/1013488117.db2.gz WHDMLMDXWWLKBM-WOJBJXKFSA-N 1 3 354.498 2.603 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000891722880 964961119 /nfs/dbraw/zinc/96/11/19/964961119.db2.gz KRQRPCJYXIANDF-RTWAWAEBSA-N 1 3 364.493 2.577 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000891766105 965038918 /nfs/dbraw/zinc/03/89/18/965038918.db2.gz RJGBIAXIDNOIGF-VDGAXYAQSA-N 1 3 370.541 2.653 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000891766105 965038930 /nfs/dbraw/zinc/03/89/30/965038930.db2.gz RJGBIAXIDNOIGF-VDGAXYAQSA-N 1 3 370.541 2.653 20 0 FFADHO C[C@H]1CN(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)C[C@H](C)O1 ZINC001175973069 1013598858 /nfs/dbraw/zinc/59/88/58/1013598858.db2.gz INDBLIXTBGOIPA-BLKABHOGSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@H]1CN(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)C[C@H](C)O1 ZINC001175973069 1013598866 /nfs/dbraw/zinc/59/88/66/1013598866.db2.gz INDBLIXTBGOIPA-BLKABHOGSA-N 1 3 357.542 2.550 20 0 FFADHO c1cc(CN2CCCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)ccn1 ZINC001167985469 965857293 /nfs/dbraw/zinc/85/72/93/965857293.db2.gz WIGUMSFEDALVQU-CBQGHPETSA-N 1 3 354.542 2.995 20 0 FFADHO c1cc(CN2CCCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)ccn1 ZINC001167985469 965857302 /nfs/dbraw/zinc/85/73/02/965857302.db2.gz WIGUMSFEDALVQU-CBQGHPETSA-N 1 3 354.542 2.995 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC23CC[NH+](C)CC3)CCN1Cc1ccccc1 ZINC000894883885 966070512 /nfs/dbraw/zinc/07/05/12/966070512.db2.gz BGVUCXDLLRBANQ-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cc3ccncc3s2)c1 ZINC000657345748 966246116 /nfs/dbraw/zinc/24/61/16/966246116.db2.gz XVJMOGXDGPYGRH-UHFFFAOYSA-N 1 3 368.506 2.878 20 0 FFADHO COC[C@H](C)Oc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000657400885 966407635 /nfs/dbraw/zinc/40/76/35/966407635.db2.gz ONTDOEDMHPVJTF-ZLGUVYLKSA-N 1 3 362.514 2.568 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC34CCC[NH+]3CCC4)cc2)CC1 ZINC000684848876 966446116 /nfs/dbraw/zinc/44/61/16/966446116.db2.gz ZIYBBVSNEHYTAG-UHFFFAOYSA-N 1 3 370.541 2.575 20 0 FFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)c1 ZINC001087219977 966751676 /nfs/dbraw/zinc/75/16/76/966751676.db2.gz YOPQTTQAMQCQOK-UZLBHIALSA-N 1 3 354.498 2.986 20 0 FFADHO CCCn1nc(C)c(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000657596082 966942371 /nfs/dbraw/zinc/94/23/71/966942371.db2.gz ULYFTJDVMZDPHR-HXUWFJFHSA-N 1 3 356.514 2.766 20 0 FFADHO CCCn1nc(C)c(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000657596082 966942376 /nfs/dbraw/zinc/94/23/76/966942376.db2.gz ULYFTJDVMZDPHR-HXUWFJFHSA-N 1 3 356.514 2.766 20 0 FFADHO c1ccc(N2CCN(CC3(N[C@H]4CC[N@@H+]5CCC[C@H]5C4)CC3)CC2)cc1 ZINC000657704999 967111284 /nfs/dbraw/zinc/11/12/84/967111284.db2.gz VXGLGSKGDOYNSD-FPOVZHCZSA-N 1 3 354.542 2.558 20 0 FFADHO c1ccc(N2CCN(CC3(N[C@H]4CC[N@H+]5CCC[C@H]5C4)CC3)CC2)cc1 ZINC000657704999 967111291 /nfs/dbraw/zinc/11/12/91/967111291.db2.gz VXGLGSKGDOYNSD-FPOVZHCZSA-N 1 3 354.542 2.558 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C(C)C)[C@@H]3C2)cc1 ZINC001075785255 967320124 /nfs/dbraw/zinc/32/01/24/967320124.db2.gz WVMWZWKINOSYKC-PWRODBHTSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C(C)C)[C@@H]3C2)cc1 ZINC001075785255 967320131 /nfs/dbraw/zinc/32/01/31/967320131.db2.gz WVMWZWKINOSYKC-PWRODBHTSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)s1 ZINC001087236057 967457322 /nfs/dbraw/zinc/45/73/22/967457322.db2.gz FZJCXAZMWIQYTE-PVAVHDDUSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC001087236057 967457330 /nfs/dbraw/zinc/45/73/30/967457330.db2.gz FZJCXAZMWIQYTE-PVAVHDDUSA-N 1 3 364.559 2.510 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnn(Cc4ccccc4)c3)C2)C1 ZINC000650706392 967544559 /nfs/dbraw/zinc/54/45/59/967544559.db2.gz JRKNBWZMDAGDRI-NJDAHSKKSA-N 1 3 354.498 2.650 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1CCOc1ccccc1 ZINC001087578869 968235317 /nfs/dbraw/zinc/23/53/17/968235317.db2.gz UNCNNXBSRYCTNF-UWHLTILDSA-N 1 3 373.541 2.765 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1CCOc1ccccc1 ZINC001087578869 968235325 /nfs/dbraw/zinc/23/53/25/968235325.db2.gz UNCNNXBSRYCTNF-UWHLTILDSA-N 1 3 373.541 2.765 20 0 FFADHO Cc1csc(CNC[C@]23CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C3)n1 ZINC001112519146 968588999 /nfs/dbraw/zinc/58/89/99/968588999.db2.gz WMNNVMWCTAOMGI-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4cccnc4CC3)cc2)CC1 ZINC000421821028 968670329 /nfs/dbraw/zinc/67/03/29/968670329.db2.gz PAAMPVIOIYJKGT-QFIPXVFZSA-N 1 3 364.537 2.866 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc2c(c1)COC2 ZINC001087711595 968732107 /nfs/dbraw/zinc/73/21/07/968732107.db2.gz MSUCCUSECCTEGO-LEWJYISDSA-N 1 3 371.525 2.528 20 0 FFADHO CCCN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000892562633 969487090 /nfs/dbraw/zinc/48/70/90/969487090.db2.gz JGUUUUZTMUZDRH-HSALFYBXSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000659030055 969645178 /nfs/dbraw/zinc/64/51/78/969645178.db2.gz GGHUXCRQPYOPLP-GPMSIDNRSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000659030055 969645180 /nfs/dbraw/zinc/64/51/80/969645180.db2.gz GGHUXCRQPYOPLP-GPMSIDNRSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000659030349 969645520 /nfs/dbraw/zinc/64/55/20/969645520.db2.gz GGHUXCRQPYOPLP-JTDSTZFVSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000659030349 969645524 /nfs/dbraw/zinc/64/55/24/969645524.db2.gz GGHUXCRQPYOPLP-JTDSTZFVSA-N 1 3 360.502 2.589 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659045786 969661376 /nfs/dbraw/zinc/66/13/76/969661376.db2.gz YBELTWMYOOAMEO-LJQANCHMSA-N 1 3 360.502 2.735 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164522871 969758892 /nfs/dbraw/zinc/75/88/92/969758892.db2.gz MCYZHJQBAQCOQI-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164522871 969758896 /nfs/dbraw/zinc/75/88/96/969758896.db2.gz MCYZHJQBAQCOQI-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)CC[C@H]1c1ccc(F)cc1 ZINC000659322124 969830833 /nfs/dbraw/zinc/83/08/33/969830833.db2.gz GGFOPBNLOVRBAE-DFQSSKMNSA-N 1 3 353.441 2.704 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000659426867 969917664 /nfs/dbraw/zinc/91/76/64/969917664.db2.gz FVWGXVQWWQAOGY-NHCUHLMSSA-N 1 3 372.557 2.581 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)c2ccccc2)CC1 ZINC000659440769 969931586 /nfs/dbraw/zinc/93/15/86/969931586.db2.gz LCQFNMAPIXQGLW-GUDVDZBRSA-N 1 3 362.493 2.540 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC[C@H]21 ZINC000874976269 1013939734 /nfs/dbraw/zinc/93/97/34/1013939734.db2.gz QWVJQSGRAPHNTD-AQNXPRMDSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC[C@H]21 ZINC000874976269 1013939737 /nfs/dbraw/zinc/93/97/37/1013939737.db2.gz QWVJQSGRAPHNTD-AQNXPRMDSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1cccc(F)c1 ZINC001104732354 970188903 /nfs/dbraw/zinc/18/89/03/970188903.db2.gz VMBMWTKTXHBCRL-HLLBOEOZSA-N 1 3 358.461 2.927 20 0 FFADHO COc1cccc(-c2csc(CNC[C@H](C)C[NH+]3CCN(C)CC3)n2)c1 ZINC000892927216 970377381 /nfs/dbraw/zinc/37/73/81/970377381.db2.gz CHEBNZIILHVLLL-INIZCTEOSA-N 1 3 374.554 2.792 20 0 FFADHO CC[C@H](C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC)OC ZINC001087839470 970524992 /nfs/dbraw/zinc/52/49/92/970524992.db2.gz CKMCAHDWWSAEFP-HSALFYBXSA-N 1 3 361.530 2.756 20 0 FFADHO CC[C@H](C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC)OC ZINC001087839470 970524999 /nfs/dbraw/zinc/52/49/99/970524999.db2.gz CKMCAHDWWSAEFP-HSALFYBXSA-N 1 3 361.530 2.756 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645505692 972792722 /nfs/dbraw/zinc/79/27/22/972792722.db2.gz JWKVLNADRASRIK-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645505692 972792731 /nfs/dbraw/zinc/79/27/31/972792731.db2.gz JWKVLNADRASRIK-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@@H]3C2)cs1 ZINC001088105877 972820297 /nfs/dbraw/zinc/82/02/97/972820297.db2.gz GCIMEIDZAQFIER-LZQZEXGQSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@@H]3C2)cs1 ZINC001088105877 972820309 /nfs/dbraw/zinc/82/03/09/972820309.db2.gz GCIMEIDZAQFIER-LZQZEXGQSA-N 1 3 361.555 2.821 20 0 FFADHO CCc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@@H]3C2)c1 ZINC001088109525 972838475 /nfs/dbraw/zinc/83/84/75/972838475.db2.gz KBEABHMPUUSHEK-HKBOAZHASA-N 1 3 357.542 2.870 20 0 FFADHO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@@H]3C2)c1 ZINC001088109525 972838487 /nfs/dbraw/zinc/83/84/87/972838487.db2.gz KBEABHMPUUSHEK-HKBOAZHASA-N 1 3 357.542 2.870 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]2C1 ZINC001088121335 972920163 /nfs/dbraw/zinc/92/01/63/972920163.db2.gz ACHUVELHPYNJKI-UXHICEINSA-N 1 3 364.493 2.810 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]2C1 ZINC001088121335 972920170 /nfs/dbraw/zinc/92/01/70/972920170.db2.gz ACHUVELHPYNJKI-UXHICEINSA-N 1 3 364.493 2.810 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661027757 973379340 /nfs/dbraw/zinc/37/93/40/973379340.db2.gz FVLWTVDOYBSNJZ-QRQLOZEOSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661027757 973379350 /nfs/dbraw/zinc/37/93/50/973379350.db2.gz FVLWTVDOYBSNJZ-QRQLOZEOSA-N 1 3 358.530 2.679 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655711545 973631463 /nfs/dbraw/zinc/63/14/63/973631463.db2.gz HRJPLTUXCRYPGG-UHFFFAOYSA-N 1 3 355.530 2.606 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001112181943 973758225 /nfs/dbraw/zinc/75/82/25/973758225.db2.gz FYDFWEDTASMKGY-ZIAGYGMSSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H]1c1cccn1C ZINC000665760059 974091145 /nfs/dbraw/zinc/09/11/45/974091145.db2.gz XWSMCBOPBADNHX-HKUYNNGSSA-N 1 3 363.550 2.534 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H]1c1cccn1C ZINC000665760059 974091151 /nfs/dbraw/zinc/09/11/51/974091151.db2.gz XWSMCBOPBADNHX-HKUYNNGSSA-N 1 3 363.550 2.534 20 0 FFADHO COC(=O)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000893488800 974674515 /nfs/dbraw/zinc/67/45/15/974674515.db2.gz XIDCDGSLZQMKPV-FQEVSTJZSA-N 1 3 368.477 2.638 20 0 FFADHO COC(=O)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000893488800 974674519 /nfs/dbraw/zinc/67/45/19/974674519.db2.gz XIDCDGSLZQMKPV-FQEVSTJZSA-N 1 3 368.477 2.638 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cccc(CN4CCCC4)c3)C2)C1 ZINC000653185024 1014252415 /nfs/dbraw/zinc/25/24/15/1014252415.db2.gz VPHZNNXLUHUXCG-NJDAHSKKSA-N 1 3 371.525 2.641 20 0 FFADHO CN(CCN1CCN(c2ccccc2)CC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662263818 975387448 /nfs/dbraw/zinc/38/74/48/975387448.db2.gz OASXGJUIMVWYSF-UHFFFAOYSA-N 1 3 364.537 2.586 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662298644 975412745 /nfs/dbraw/zinc/41/27/45/975412745.db2.gz WKYDNLORPPITDE-HXUWFJFHSA-N 1 3 373.541 2.802 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC([NH+](C)C)CC3)c(C)c2)CC1 ZINC000192700235 975535836 /nfs/dbraw/zinc/53/58/36/975535836.db2.gz UUCQEKPBKYNGRU-UHFFFAOYSA-N 1 3 373.545 2.695 20 0 FFADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000662557021 975700707 /nfs/dbraw/zinc/70/07/07/975700707.db2.gz ZCTZIQBRORFEEM-ZJOUEHCJSA-N 1 3 367.493 2.522 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CCc2ccccc2F)CC[N@@H+]1C ZINC001027892703 975729343 /nfs/dbraw/zinc/72/93/43/975729343.db2.gz CCVDSLXMZZMBFC-CMKODMSKSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CCc2ccccc2F)CC[N@H+]1C ZINC001027892703 975729350 /nfs/dbraw/zinc/72/93/50/975729350.db2.gz CCVDSLXMZZMBFC-CMKODMSKSA-N 1 3 361.505 2.679 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662661079 975795532 /nfs/dbraw/zinc/79/55/32/975795532.db2.gz JHUPUVPHUKWRBJ-UNMCSNQZSA-N 1 3 363.505 2.649 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662661079 975795543 /nfs/dbraw/zinc/79/55/43/975795543.db2.gz JHUPUVPHUKWRBJ-UNMCSNQZSA-N 1 3 363.505 2.649 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000662700046 975840199 /nfs/dbraw/zinc/84/01/99/975840199.db2.gz JNHKICOJDCRZTF-SFHVURJKSA-N 1 3 360.546 2.558 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCCC2=O ZINC000667164739 975901036 /nfs/dbraw/zinc/90/10/36/975901036.db2.gz DTJVGIYTZCEENC-HNNXBMFYSA-N 1 3 360.502 2.599 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCCC2=O ZINC000667164739 975901048 /nfs/dbraw/zinc/90/10/48/975901048.db2.gz DTJVGIYTZCEENC-HNNXBMFYSA-N 1 3 360.502 2.599 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000663452166 975935948 /nfs/dbraw/zinc/93/59/48/975935948.db2.gz JJZMPXKCBGXJTQ-NHCUHLMSSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000663452166 975935953 /nfs/dbraw/zinc/93/59/53/975935953.db2.gz JJZMPXKCBGXJTQ-NHCUHLMSSA-N 1 3 370.541 2.682 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)N1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001167823370 976020587 /nfs/dbraw/zinc/02/05/87/976020587.db2.gz KXUJYZXGSQDKEN-PXNSSMCTSA-N 1 3 366.550 2.585 20 0 FFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC001075993490 976055672 /nfs/dbraw/zinc/05/56/72/976055672.db2.gz XPNBMQZHURPMQJ-FXAWDEMLSA-N 1 3 364.424 2.820 20 0 FFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC001075993490 976055688 /nfs/dbraw/zinc/05/56/88/976055688.db2.gz XPNBMQZHURPMQJ-FXAWDEMLSA-N 1 3 364.424 2.820 20 0 FFADHO CCc1ccccc1CCN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981194268 976333683 /nfs/dbraw/zinc/33/36/83/976333683.db2.gz PBSTXXQOONCWMK-WIYYLYMNSA-N 1 3 357.542 2.666 20 0 FFADHO CCc1ccccc1CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981194268 976333693 /nfs/dbraw/zinc/33/36/93/976333693.db2.gz PBSTXXQOONCWMK-WIYYLYMNSA-N 1 3 357.542 2.666 20 0 FFADHO COc1cccc([C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000876709471 1014358130 /nfs/dbraw/zinc/35/81/30/1014358130.db2.gz RQRHAGCODYHMOY-VDQJSUDESA-N 1 3 357.498 2.504 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667802924 977072926 /nfs/dbraw/zinc/07/29/26/977072926.db2.gz BDEVLSVBKKFARF-GJZGRUSLSA-N 1 3 357.502 2.502 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000667802924 977072937 /nfs/dbraw/zinc/07/29/37/977072937.db2.gz BDEVLSVBKKFARF-GJZGRUSLSA-N 1 3 357.502 2.502 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667804590 977074851 /nfs/dbraw/zinc/07/48/51/977074851.db2.gz GHVBTLIJWHARHF-SFHVURJKSA-N 1 3 357.502 2.646 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667804590 977074864 /nfs/dbraw/zinc/07/48/64/977074864.db2.gz GHVBTLIJWHARHF-SFHVURJKSA-N 1 3 357.502 2.646 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CC(C)(C)CO3)CC2)CC1 ZINC000899455744 977165502 /nfs/dbraw/zinc/16/55/02/977165502.db2.gz HQNSMYCFJNEYMQ-LJQANCHMSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000645180729 977927218 /nfs/dbraw/zinc/92/72/18/977927218.db2.gz NGFAHQXTRYXVEX-FQEVSTJZSA-N 1 3 372.557 2.949 20 0 FFADHO CCCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC000645180729 977927223 /nfs/dbraw/zinc/92/72/23/977927223.db2.gz NGFAHQXTRYXVEX-FQEVSTJZSA-N 1 3 372.557 2.949 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3ccccc3OC3CC3)C2)CC[N@@H+]1C ZINC001028548431 978024444 /nfs/dbraw/zinc/02/44/44/978024444.db2.gz ADWHTZUGAYSGHT-MBOZVWFJSA-N 1 3 371.525 2.506 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3ccccc3OC3CC3)C2)CC[N@H+]1C ZINC001028548431 978024452 /nfs/dbraw/zinc/02/44/52/978024452.db2.gz ADWHTZUGAYSGHT-MBOZVWFJSA-N 1 3 371.525 2.506 20 0 FFADHO COCc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c2cc(F)ccc2n1 ZINC000664194279 978340167 /nfs/dbraw/zinc/34/01/67/978340167.db2.gz CDFOFJZGQOGGJL-HNNXBMFYSA-N 1 3 362.493 2.626 20 0 FFADHO COCc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2cc(F)ccc2n1 ZINC000664194279 978340177 /nfs/dbraw/zinc/34/01/77/978340177.db2.gz CDFOFJZGQOGGJL-HNNXBMFYSA-N 1 3 362.493 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCc3cncs3)C2)CC[N@@H+]1C ZINC001088318039 979142824 /nfs/dbraw/zinc/14/28/24/979142824.db2.gz WDGLBHGJROGDFK-BPQIPLTHSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCc3cncs3)C2)CC[N@H+]1C ZINC001088318039 979142827 /nfs/dbraw/zinc/14/28/27/979142827.db2.gz WDGLBHGJROGDFK-BPQIPLTHSA-N 1 3 364.559 2.734 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)cc1 ZINC001076243642 979276061 /nfs/dbraw/zinc/27/60/61/979276061.db2.gz AZOSHILKDQHYDP-DZFGPLHGSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)cc1 ZINC001076243642 979276068 /nfs/dbraw/zinc/27/60/68/979276068.db2.gz AZOSHILKDQHYDP-DZFGPLHGSA-N 1 3 355.526 2.624 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N2CCCCC[C@H](NCCF)C2)[C@@H](c2ccccc2)C1 ZINC001088387308 979406872 /nfs/dbraw/zinc/40/68/72/979406872.db2.gz NQRBLOAQKSMFGI-ZCNNSNEGSA-N 1 3 361.505 2.662 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N2CCCCC[C@H](NCCF)C2)[C@@H](c2ccccc2)C1 ZINC001088387308 979406876 /nfs/dbraw/zinc/40/68/76/979406876.db2.gz NQRBLOAQKSMFGI-ZCNNSNEGSA-N 1 3 361.505 2.662 20 0 FFADHO O[C@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000905206373 980400959 /nfs/dbraw/zinc/40/09/59/980400959.db2.gz CRJYNCSDONMQFP-DXBBTUNJSA-N 1 3 372.553 2.933 20 0 FFADHO O[C@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000905206379 980401525 /nfs/dbraw/zinc/40/15/25/980401525.db2.gz CRJYNCSDONMQFP-YUMYIRISSA-N 1 3 372.553 2.933 20 0 FFADHO O[C@@H](CCC1(O)CCC1)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000905263264 980408637 /nfs/dbraw/zinc/40/86/37/980408637.db2.gz LUUBXRBNKFFGIQ-RTWAWAEBSA-N 1 3 360.542 2.934 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654351514 1014671116 /nfs/dbraw/zinc/67/11/16/1014671116.db2.gz ISFUKNFZDPYCOW-VAMGGRTRSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654351514 1014671123 /nfs/dbraw/zinc/67/11/23/1014671123.db2.gz ISFUKNFZDPYCOW-VAMGGRTRSA-N 1 3 356.514 2.577 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)Nc3ccccc3)CC2)CC1 ZINC000906466895 980664393 /nfs/dbraw/zinc/66/43/93/980664393.db2.gz VVUDHDUFQKYOIG-UHFFFAOYSA-N 1 3 358.530 2.552 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000666319237 980703703 /nfs/dbraw/zinc/70/37/03/980703703.db2.gz VRVLWNCDPLMFSM-INIZCTEOSA-N 1 3 370.501 2.537 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000666319237 980703708 /nfs/dbraw/zinc/70/37/08/980703708.db2.gz VRVLWNCDPLMFSM-INIZCTEOSA-N 1 3 370.501 2.537 20 0 FFADHO CC1CCC([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC1 ZINC001168196694 981044645 /nfs/dbraw/zinc/04/46/45/981044645.db2.gz MIYDWADQDAARAT-LYBXBRPPSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1ncccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211917227 981053256 /nfs/dbraw/zinc/05/32/56/981053256.db2.gz XHAXZNAGAXXSGD-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ncccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211917227 981053263 /nfs/dbraw/zinc/05/32/63/981053263.db2.gz XHAXZNAGAXXSGD-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1CN1CCN(C)CC1)C2 ZINC001168235995 981124586 /nfs/dbraw/zinc/12/45/86/981124586.db2.gz PGJIOMPJCXJVNU-JOCHJYFZSA-N 1 3 365.521 2.700 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Cc1ccccc1 ZINC000668649623 981359020 /nfs/dbraw/zinc/35/90/20/981359020.db2.gz YDKKHCMKVHLWMB-HKBOAZHASA-N 1 3 372.557 2.581 20 0 FFADHO CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000654659261 1014827049 /nfs/dbraw/zinc/82/70/49/1014827049.db2.gz FITLBZJXURWLRJ-SLFFLAALSA-N 1 3 358.530 2.633 20 0 FFADHO COCCO[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000670271021 983969736 /nfs/dbraw/zinc/96/97/36/983969736.db2.gz FEHPUZIWBYCNOK-OAQYLSRUSA-N 1 3 362.514 2.789 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000878383655 1015017501 /nfs/dbraw/zinc/01/75/01/1015017501.db2.gz AJMUOJPOQNQJIH-XSEFMFLKSA-N 1 3 368.521 2.971 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000878383976 1015019589 /nfs/dbraw/zinc/01/95/89/1015019589.db2.gz GIYCVDUYKCPGCF-TYPHKJRUSA-N 1 3 360.542 2.933 20 0 FFADHO CCN1CCn2c(C)cnc2C12CC[NH+](C1CCN(CC3CC3)CC1)CC2 ZINC001168377654 984317346 /nfs/dbraw/zinc/31/73/46/984317346.db2.gz KYZQVARCXDMOCJ-UHFFFAOYSA-N 1 3 371.573 2.693 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2)N(C)C ZINC001107444711 984546119 /nfs/dbraw/zinc/54/61/19/984546119.db2.gz XEKZKCKEFFWZGK-HLLBOEOZSA-N 1 3 363.468 2.886 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2)N(C)C ZINC001107444711 984546123 /nfs/dbraw/zinc/54/61/23/984546123.db2.gz XEKZKCKEFFWZGK-HLLBOEOZSA-N 1 3 363.468 2.886 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000669427684 984574743 /nfs/dbraw/zinc/57/47/43/984574743.db2.gz ZFGKIIHVBCKPKC-RLLQIKCJSA-N 1 3 358.530 2.949 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483821 984650304 /nfs/dbraw/zinc/65/03/04/984650304.db2.gz OHROWDIKUNFIED-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CC[C@@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000669483838 984651722 /nfs/dbraw/zinc/65/17/22/984651722.db2.gz OYFZXTWPBLQRGI-MISYRCLQSA-N 1 3 358.530 2.982 20 0 FFADHO C[NH+]1CCC(CC(=O)NC[C@]23CCC[C@H]2N(Cc2cccnc2)CC3)CC1 ZINC001107567640 984713548 /nfs/dbraw/zinc/71/35/48/984713548.db2.gz COKYLQXMCYNSFE-IFMALSPDSA-N 1 3 370.541 2.674 20 0 FFADHO CN1CC[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)[C@H]1c1ccccc1 ZINC000669545920 984760409 /nfs/dbraw/zinc/76/04/09/984760409.db2.gz YKDWJBWLPZUBTC-VQTJNVASSA-N 1 3 352.482 2.602 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cc(C)ns1)CC2 ZINC001107598762 984777197 /nfs/dbraw/zinc/77/71/97/984777197.db2.gz VZSFRYYHLXNVKG-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cc(C)ns1)CC2 ZINC001107598762 984777200 /nfs/dbraw/zinc/77/72/00/984777200.db2.gz VZSFRYYHLXNVKG-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](OC)C1CCC1)CC2 ZINC001107617734 984839572 /nfs/dbraw/zinc/83/95/72/984839572.db2.gz QPRVHVGHEWELSH-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](OC)C1CCC1)CC2 ZINC001107617734 984839589 /nfs/dbraw/zinc/83/95/89/984839589.db2.gz QPRVHVGHEWELSH-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ncccc1C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646091 984912541 /nfs/dbraw/zinc/91/25/41/984912541.db2.gz BOPGLFUNKKHOQD-TZIWHRDSSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ncccc1C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646091 984912552 /nfs/dbraw/zinc/91/25/52/984912552.db2.gz BOPGLFUNKKHOQD-TZIWHRDSSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2cccc(F)c2)CC1 ZINC000997098601 985120123 /nfs/dbraw/zinc/12/01/23/985120123.db2.gz SSYQOWAQVPPGMP-JXXFODFXSA-N 1 3 361.505 2.883 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2cccc(F)c2)CC1 ZINC000997098601 985120127 /nfs/dbraw/zinc/12/01/27/985120127.db2.gz SSYQOWAQVPPGMP-JXXFODFXSA-N 1 3 361.505 2.883 20 0 FFADHO O=C(N[C@]12CCC[C@H]1CN(Cc1cccc(F)c1)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001098841336 985292486 /nfs/dbraw/zinc/29/24/86/985292486.db2.gz IHPQCURCCNRPDS-DWLFOUALSA-N 1 3 371.500 2.638 20 0 FFADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000166505700 986118697 /nfs/dbraw/zinc/11/86/97/986118697.db2.gz OYRCNBRBLBHMSO-YTQUADARSA-N 1 3 360.521 2.855 20 0 FFADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000166505700 986118701 /nfs/dbraw/zinc/11/87/01/986118701.db2.gz OYRCNBRBLBHMSO-YTQUADARSA-N 1 3 360.521 2.855 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403683 986149633 /nfs/dbraw/zinc/14/96/33/986149633.db2.gz RIYWDYNKTOVZFH-GUDVDZBRSA-N 1 3 353.551 2.645 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403683 986149638 /nfs/dbraw/zinc/14/96/38/986149638.db2.gz RIYWDYNKTOVZFH-GUDVDZBRSA-N 1 3 353.551 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3cccc4cccnc43)C2)CC[N@@H+]1C ZINC001007367427 1015199784 /nfs/dbraw/zinc/19/97/84/1015199784.db2.gz DBCZOMFJDHQJJL-LSTHTHJFSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3cccc4cccnc43)C2)CC[N@H+]1C ZINC001007367427 1015199788 /nfs/dbraw/zinc/19/97/88/1015199788.db2.gz DBCZOMFJDHQJJL-LSTHTHJFSA-N 1 3 366.509 2.656 20 0 FFADHO CC(C)OCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133995 987072227 /nfs/dbraw/zinc/07/22/27/987072227.db2.gz UUESEFPQEBQOIX-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001485960364 987236472 /nfs/dbraw/zinc/23/64/72/987236472.db2.gz FJICTBHLOXTKPA-IEZWGBDMSA-N 1 3 367.484 2.812 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc[nH]c(=O)c3)C2)ccn1 ZINC000879018914 1015326563 /nfs/dbraw/zinc/32/65/63/1015326563.db2.gz KPKBVEHANPDXME-IBGZPJMESA-N 1 3 356.470 2.676 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc[nH]c(=O)c3)C2)ccn1 ZINC000879018914 1015326575 /nfs/dbraw/zinc/32/65/75/1015326575.db2.gz KPKBVEHANPDXME-IBGZPJMESA-N 1 3 356.470 2.676 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC001085196548 988278663 /nfs/dbraw/zinc/27/86/63/988278663.db2.gz DKRMMWFFBCCAHB-KURKYZTESA-N 1 3 364.559 2.575 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[NH+]3CCCCCC3)cc2)CC1 ZINC000915321111 988430618 /nfs/dbraw/zinc/43/06/18/988430618.db2.gz NYDOGWIFSIQLSJ-UHFFFAOYSA-N 1 3 373.545 2.826 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC000922389167 988536761 /nfs/dbraw/zinc/53/67/61/988536761.db2.gz SFPNJJPZGBEXMG-CZYKHXBRSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC000922389167 988536771 /nfs/dbraw/zinc/53/67/71/988536771.db2.gz SFPNJJPZGBEXMG-CZYKHXBRSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC000922386645 988543303 /nfs/dbraw/zinc/54/33/03/988543303.db2.gz HTJRHXIBDXOFAQ-ANTGDGSKSA-N 1 3 354.498 2.646 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC000922386645 988543309 /nfs/dbraw/zinc/54/33/09/988543309.db2.gz HTJRHXIBDXOFAQ-ANTGDGSKSA-N 1 3 354.498 2.646 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CC4CCC4)c3)C2)[C@H]1C(C)C ZINC000922395232 988545560 /nfs/dbraw/zinc/54/55/60/988545560.db2.gz RGXHPYWWBXFPJL-XRXFAXGQSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CC4CCC4)c3)C2)[C@H]1C(C)C ZINC000922395232 988545573 /nfs/dbraw/zinc/54/55/73/988545573.db2.gz RGXHPYWWBXFPJL-XRXFAXGQSA-N 1 3 360.546 2.643 20 0 FFADHO Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)n1 ZINC001106672436 988621067 /nfs/dbraw/zinc/62/10/67/988621067.db2.gz WACOTIQBNOTLEM-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001033095596 988786913 /nfs/dbraw/zinc/78/69/13/988786913.db2.gz BPBYPIRUGXREAY-HSALFYBXSA-N 1 3 361.505 2.919 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001033095596 988786921 /nfs/dbraw/zinc/78/69/21/988786921.db2.gz BPBYPIRUGXREAY-HSALFYBXSA-N 1 3 361.505 2.919 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2sccc2Cl)[C@H](C)C1 ZINC001106779482 989026409 /nfs/dbraw/zinc/02/64/09/989026409.db2.gz OWLWIFDOQWCMQQ-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000673769590 989253266 /nfs/dbraw/zinc/25/32/66/989253266.db2.gz BCRMUYXTKGYQKG-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000673769590 989253273 /nfs/dbraw/zinc/25/32/73/989253273.db2.gz BCRMUYXTKGYQKG-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345509 1015531744 /nfs/dbraw/zinc/53/17/44/1015531744.db2.gz DCIGLUFCPLMOCN-ACRUOGEOSA-N 1 3 373.541 2.642 20 0 FFADHO CCc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652361938 1015540920 /nfs/dbraw/zinc/54/09/20/1015540920.db2.gz UBZFOOJJAUVPCA-NJDAHSKKSA-N 1 3 373.541 2.568 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@H]1CCCN(C)C1 ZINC000675532196 990297716 /nfs/dbraw/zinc/29/77/16/990297716.db2.gz CIIBTKILPGBMOI-LMMKCTJWSA-N 1 3 358.530 2.536 20 0 FFADHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000676221908 990512960 /nfs/dbraw/zinc/51/29/60/990512960.db2.gz DIEBCGLIWGPOLK-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000676221908 990512965 /nfs/dbraw/zinc/51/29/65/990512965.db2.gz DIEBCGLIWGPOLK-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC001085196864 990663827 /nfs/dbraw/zinc/66/38/27/990663827.db2.gz QRBZGIQOPAJOFQ-AQNXPRMDSA-N 1 3 365.562 2.693 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923183597 990949538 /nfs/dbraw/zinc/94/95/38/990949538.db2.gz SHNUXSZGIHBYKW-HXUWFJFHSA-N 1 3 373.541 2.657 20 0 FFADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC(c1ccccc1)c1ccccc1 ZINC000923519238 991207102 /nfs/dbraw/zinc/20/71/02/991207102.db2.gz KWIIXQJXJZDGPN-LEWJYISDSA-N 1 3 363.505 2.824 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760176 991301233 /nfs/dbraw/zinc/30/12/33/991301233.db2.gz YDKBLTRFIAFGRR-RDTXWAMCSA-N 1 3 367.449 2.951 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760176 991301244 /nfs/dbraw/zinc/30/12/44/991301244.db2.gz YDKBLTRFIAFGRR-RDTXWAMCSA-N 1 3 367.449 2.951 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2Cl)[C@H](C)C1 ZINC001106909138 991470830 /nfs/dbraw/zinc/47/08/30/991470830.db2.gz DWCRARNKPYOFQB-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181720800 991864885 /nfs/dbraw/zinc/86/48/85/991864885.db2.gz DZBOIXODPDTSCU-CQSZACIVSA-N 1 3 366.437 2.869 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181720800 991864891 /nfs/dbraw/zinc/86/48/91/991864891.db2.gz DZBOIXODPDTSCU-CQSZACIVSA-N 1 3 366.437 2.869 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198746 991873856 /nfs/dbraw/zinc/87/38/56/991873856.db2.gz PNOYSNKJNRHWIG-RBUKOAKNSA-N 1 3 361.505 2.850 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CCCC2)C1 ZINC001079200885 991875070 /nfs/dbraw/zinc/87/50/70/991875070.db2.gz KHIQZADVGJLZAK-VQTJNVASSA-N 1 3 370.472 2.866 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]2C)CC[N@@H+]1C ZINC001079730949 992369844 /nfs/dbraw/zinc/36/98/44/992369844.db2.gz XKHRHFOGLWXFQL-IDZYALCFSA-N 1 3 369.553 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc4c(c3)CCC4)C[C@H]2C)CC[N@H+]1C ZINC001079730949 992369850 /nfs/dbraw/zinc/36/98/50/992369850.db2.gz XKHRHFOGLWXFQL-IDZYALCFSA-N 1 3 369.553 2.842 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(C)c1 ZINC001080037991 992688180 /nfs/dbraw/zinc/68/81/80/992688180.db2.gz XHHZOADMVLSFMG-UYAOXDASSA-N 1 3 355.526 2.868 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001152206771 1032126778 /nfs/dbraw/zinc/12/67/78/1032126778.db2.gz RMTYQDQPDCXLHV-GUDVDZBRSA-N 1 3 352.482 2.678 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001152206771 1032126786 /nfs/dbraw/zinc/12/67/86/1032126786.db2.gz RMTYQDQPDCXLHV-GUDVDZBRSA-N 1 3 352.482 2.678 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799069 993977690 /nfs/dbraw/zinc/97/76/90/993977690.db2.gz AYTVZWRKDCWRAM-VAMGGRTRSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799069 993977703 /nfs/dbraw/zinc/97/77/03/993977703.db2.gz AYTVZWRKDCWRAM-VAMGGRTRSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001082507091 994786795 /nfs/dbraw/zinc/78/67/95/994786795.db2.gz BPDQPZLRYMONSI-AHRSYUTCSA-N 1 3 361.505 2.678 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC001082559806 994934110 /nfs/dbraw/zinc/93/41/10/994934110.db2.gz PTPOVDGIEWOQSO-KBRIMQKVSA-N 1 3 357.489 2.589 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082559908 994934850 /nfs/dbraw/zinc/93/48/50/994934850.db2.gz SGSIJWZQVYJGEX-NXOUGTEYSA-N 1 3 367.896 2.756 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)n1 ZINC001082617246 995082940 /nfs/dbraw/zinc/08/29/40/995082940.db2.gz FFLYQRSBAMEQBI-YLJYHZDGSA-N 1 3 370.541 2.770 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)sn1 ZINC001086694438 995128643 /nfs/dbraw/zinc/12/86/43/995128643.db2.gz SAZUOOMZVJBEDN-JZXOWHBKSA-N 1 3 364.559 2.699 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1 ZINC001082740899 995395328 /nfs/dbraw/zinc/39/53/28/995395328.db2.gz JRTUVPWKSYBNII-DBXWQHBBSA-N 1 3 357.542 2.712 20 0 FFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001082741861 995398702 /nfs/dbraw/zinc/39/87/02/995398702.db2.gz GHRLRSAYLYJJAH-IDHHARJASA-N 1 3 363.933 2.927 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082741896 995399082 /nfs/dbraw/zinc/39/90/82/995399082.db2.gz IJQFOLVPPHMKJY-PMUMKWKESA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082741896 995399084 /nfs/dbraw/zinc/39/90/84/995399084.db2.gz IJQFOLVPPHMKJY-PMUMKWKESA-N 1 3 367.896 2.757 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C)sn1 ZINC001082783031 995489727 /nfs/dbraw/zinc/48/97/27/995489727.db2.gz WZOMTECHNUPXBW-UWWQBHOKSA-N 1 3 364.559 2.653 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001082851776 995647215 /nfs/dbraw/zinc/64/72/15/995647215.db2.gz BPUISEZJGVDCPJ-KBAYOESNSA-N 1 3 364.559 2.734 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001082851776 995647218 /nfs/dbraw/zinc/64/72/18/995647218.db2.gz BPUISEZJGVDCPJ-KBAYOESNSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082861642 995666301 /nfs/dbraw/zinc/66/63/01/995666301.db2.gz JMSGERSQMLWIJP-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082861642 995666308 /nfs/dbraw/zinc/66/63/08/995666308.db2.gz JMSGERSQMLWIJP-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)c(Cl)c1 ZINC001082863576 995671737 /nfs/dbraw/zinc/67/17/37/995671737.db2.gz KFASWJNAKQPVLJ-CRAIPNDOSA-N 1 3 361.917 2.681 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001082941530 995868371 /nfs/dbraw/zinc/86/83/71/995868371.db2.gz WAIMOZPIQXQGHS-JLTOFOAXSA-N 1 3 370.497 2.603 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)s1 ZINC001082943973 995882846 /nfs/dbraw/zinc/88/28/46/995882846.db2.gz WHVIMXGEKYNICX-OLMNPRSZSA-N 1 3 364.559 2.508 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084338307 996468198 /nfs/dbraw/zinc/46/81/98/996468198.db2.gz NDYNRIBEAKGLMR-BHIYHBOVSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084338307 996468200 /nfs/dbraw/zinc/46/82/00/996468200.db2.gz NDYNRIBEAKGLMR-BHIYHBOVSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3cccs3)C[C@H]21 ZINC001084338307 996468202 /nfs/dbraw/zinc/46/82/02/996468202.db2.gz NDYNRIBEAKGLMR-BHIYHBOVSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cccs3)C[C@H]21 ZINC001084338307 996468203 /nfs/dbraw/zinc/46/82/03/996468203.db2.gz NDYNRIBEAKGLMR-BHIYHBOVSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084475495 996617815 /nfs/dbraw/zinc/61/78/15/996617815.db2.gz PNKYFVSLWUYJSA-YPAWHYETSA-N 1 3 369.553 2.882 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084475495 996617817 /nfs/dbraw/zinc/61/78/17/996617817.db2.gz PNKYFVSLWUYJSA-YPAWHYETSA-N 1 3 369.553 2.882 20 0 FFADHO Cc1ccc(CCN2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001084571843 996684938 /nfs/dbraw/zinc/68/49/38/996684938.db2.gz ICTKJZIKTSQMFB-NHCUHLMSSA-N 1 3 369.553 2.945 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3CC[N@H+](CC4CCCC4)C[C@H]32)C1 ZINC001084663105 996795218 /nfs/dbraw/zinc/79/52/18/996795218.db2.gz MLARXKPOACPXIX-DBXWQHBBSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3CC[N@@H+](CC4CCCC4)C[C@H]32)C1 ZINC001084663105 996795224 /nfs/dbraw/zinc/79/52/24/996795224.db2.gz MLARXKPOACPXIX-DBXWQHBBSA-N 1 3 365.537 2.922 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)cc1 ZINC001084702407 996989334 /nfs/dbraw/zinc/98/93/34/996989334.db2.gz XHMOOFIDQUELLJ-NHCUHLMSSA-N 1 3 355.526 2.760 20 0 FFADHO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000825163816 997254125 /nfs/dbraw/zinc/25/41/25/997254125.db2.gz QWYDDQJHSGTWGB-QGZVFWFLSA-N 1 3 369.550 2.865 20 0 FFADHO CC(C)c1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001084830107 997575790 /nfs/dbraw/zinc/57/57/90/997575790.db2.gz LLPBYYZXRCQWFI-QHAWAJNXSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)c1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001084830107 997575799 /nfs/dbraw/zinc/57/57/99/997575799.db2.gz LLPBYYZXRCQWFI-QHAWAJNXSA-N 1 3 355.526 2.794 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000844225726 997715099 /nfs/dbraw/zinc/71/50/99/997715099.db2.gz SYNKVJNKWITJRF-QRVBRYPASA-N 1 3 370.541 2.935 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000844225203 997716005 /nfs/dbraw/zinc/71/60/05/997716005.db2.gz LERZRONVTWYHFL-RTBURBONSA-N 1 3 370.541 2.937 20 0 FFADHO c1cc2c(cc1[C@@H]1CCCN1C[C@@H]1CC3(CO1)CC[NH2+]CC3)OCCO2 ZINC000903717502 1016149635 /nfs/dbraw/zinc/14/96/35/1016149635.db2.gz BBGBESFIHXFMEK-ROUUACIJSA-N 1 3 358.482 2.753 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC001091035989 998250788 /nfs/dbraw/zinc/25/07/88/998250788.db2.gz QJPCXGZHYIFRFA-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC001091035989 998250798 /nfs/dbraw/zinc/25/07/98/998250798.db2.gz QJPCXGZHYIFRFA-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@H](C(=O)NCCc1cccs1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793406 1016202635 /nfs/dbraw/zinc/20/26/35/1016202635.db2.gz CFCYYFSBWNTYCX-QGZVFWFLSA-N 1 3 371.550 2.788 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]([NH2+]C(C)C)C3)cc2)CC1 ZINC000732417677 998653049 /nfs/dbraw/zinc/65/30/49/998653049.db2.gz OIHCZGRYTMBCSG-IBGZPJMESA-N 1 3 373.545 2.823 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN(Cc2ccccc2)C[C@@H]2CCCO2)cnn1C ZINC000903886326 1016287919 /nfs/dbraw/zinc/28/79/19/1016287919.db2.gz PISAIWLOHUDWJV-FPOVZHCZSA-N 1 3 356.514 2.527 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085225007 999195094 /nfs/dbraw/zinc/19/50/94/999195094.db2.gz DMYBJQHITKQGCJ-CGTJXYLNSA-N 1 3 364.559 2.923 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085225007 999195097 /nfs/dbraw/zinc/19/50/97/999195097.db2.gz DMYBJQHITKQGCJ-CGTJXYLNSA-N 1 3 364.559 2.923 20 0 FFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929481 1016310342 /nfs/dbraw/zinc/31/03/42/1016310342.db2.gz GOJLUDMXJCBIQX-UYAOXDASSA-N 1 3 351.498 2.972 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001085380944 999432617 /nfs/dbraw/zinc/43/26/17/999432617.db2.gz ZPUWDMBBEZCCRW-RTBURBONSA-N 1 3 362.518 2.620 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccncc2Cl)C1 ZINC001085393850 999454956 /nfs/dbraw/zinc/45/49/56/999454956.db2.gz MWEDJUNYFAOXPG-BMGDILEWSA-N 1 3 364.921 2.594 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccncc2Cl)C1 ZINC001085393850 999454958 /nfs/dbraw/zinc/45/49/58/999454958.db2.gz MWEDJUNYFAOXPG-BMGDILEWSA-N 1 3 364.921 2.594 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001085432223 999516264 /nfs/dbraw/zinc/51/62/64/999516264.db2.gz OEJFJGMPQMEMDS-NHCUHLMSSA-N 1 3 366.509 2.974 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@H]2CCOC2)c1 ZINC001096604402 1016340717 /nfs/dbraw/zinc/34/07/17/1016340717.db2.gz HDWQEBQJTQPPRH-CZGNIMDHSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@H]2CCOC2)c1 ZINC001096604402 1016340729 /nfs/dbraw/zinc/34/07/29/1016340729.db2.gz HDWQEBQJTQPPRH-CZGNIMDHSA-N 1 3 371.525 2.510 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCN(c3ncnc4ccccc43)C1)C2 ZINC001169117930 1000022695 /nfs/dbraw/zinc/02/26/95/1000022695.db2.gz BPYBJFKTCDNVBD-FJIDUMEYSA-N 1 3 351.498 2.813 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCN(c3ncnc4ccccc43)C1)C2 ZINC001169117930 1000022696 /nfs/dbraw/zinc/02/26/96/1000022696.db2.gz BPYBJFKTCDNVBD-FJIDUMEYSA-N 1 3 351.498 2.813 20 0 FFADHO C[C@@H](NCCOCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169122856 1000022869 /nfs/dbraw/zinc/02/28/69/1000022869.db2.gz DYWCNSPKGJDALF-SJORKVTESA-N 1 3 369.550 2.770 20 0 FFADHO C[C@@H](NCCOCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169122856 1000022872 /nfs/dbraw/zinc/02/28/72/1000022872.db2.gz DYWCNSPKGJDALF-SJORKVTESA-N 1 3 369.550 2.770 20 0 FFADHO C[C@@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC001169122856 1000022874 /nfs/dbraw/zinc/02/28/74/1000022874.db2.gz DYWCNSPKGJDALF-SJORKVTESA-N 1 3 369.550 2.770 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111936 1000026065 /nfs/dbraw/zinc/02/60/65/1000026065.db2.gz RDHAFYJXQAKQHY-JONQDZQNSA-N 1 3 355.548 2.554 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111936 1000026067 /nfs/dbraw/zinc/02/60/67/1000026067.db2.gz RDHAFYJXQAKQHY-JONQDZQNSA-N 1 3 355.548 2.554 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111936 1000026068 /nfs/dbraw/zinc/02/60/68/1000026068.db2.gz RDHAFYJXQAKQHY-JONQDZQNSA-N 1 3 355.548 2.554 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](N3Cc4c(cccc4F)C3=O)C1)C2 ZINC001169155149 1000028287 /nfs/dbraw/zinc/02/82/87/1000028287.db2.gz YOLMTIFXPDSCLU-YYIAUSFCSA-N 1 3 357.473 2.871 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](N3Cc4c(cccc4F)C3=O)C1)C2 ZINC001169155149 1000028289 /nfs/dbraw/zinc/02/82/89/1000028289.db2.gz YOLMTIFXPDSCLU-YYIAUSFCSA-N 1 3 357.473 2.871 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN([C@H](C)CC(=O)N(CC)CC)CC1 ZINC001169487030 1000055465 /nfs/dbraw/zinc/05/54/65/1000055465.db2.gz NWXDEVWGWGFMGA-HXUWFJFHSA-N 1 3 368.610 2.763 20 0 FFADHO CCOC(=O)N1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC001169665341 1000067110 /nfs/dbraw/zinc/06/71/10/1000067110.db2.gz XUXBHMCNGTWBIO-FQEVSTJZSA-N 1 3 374.529 2.894 20 0 FFADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001169750369 1000073468 /nfs/dbraw/zinc/07/34/68/1000073468.db2.gz KCRDSWAVJVNBNL-ACRUOGEOSA-N 1 3 371.525 2.524 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000846049748 1000197316 /nfs/dbraw/zinc/19/73/16/1000197316.db2.gz HHJUYCPFIPEMFJ-LEWJYISDSA-N 1 3 372.557 2.742 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000846049748 1000197317 /nfs/dbraw/zinc/19/73/17/1000197317.db2.gz HHJUYCPFIPEMFJ-LEWJYISDSA-N 1 3 372.557 2.742 20 0 FFADHO CSc1ccc(CN2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)s1 ZINC001276145668 1016407790 /nfs/dbraw/zinc/40/77/90/1016407790.db2.gz HSFDAFSFHKGVSX-HNNXBMFYSA-N 1 3 367.584 2.750 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCCCO2)CCCC1 ZINC001109565269 1000650305 /nfs/dbraw/zinc/65/03/05/1000650305.db2.gz HYZRSHCXNBQMDJ-XWSJACJDSA-N 1 3 363.546 2.542 20 0 FFADHO COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCN1CCN(C(C)C)CC1)CC2 ZINC001171290395 1000783777 /nfs/dbraw/zinc/78/37/77/1000783777.db2.gz XPAOFXFMQQDMOS-INIZCTEOSA-N 1 3 365.949 2.822 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](Cc4cccc(F)c4)C[C@@]3(C)C2)CCC1 ZINC001091734983 1001171117 /nfs/dbraw/zinc/17/11/17/1001171117.db2.gz FAYKLQXLXWCEIA-XLIONFOSSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@]3(C)C2)CCC1 ZINC001091734983 1001171124 /nfs/dbraw/zinc/17/11/24/1001171124.db2.gz FAYKLQXLXWCEIA-XLIONFOSSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737174 1001182292 /nfs/dbraw/zinc/18/22/92/1001182292.db2.gz CVHPGBMPOFARJV-GIWBLDEGSA-N 1 3 369.553 2.740 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737174 1001182297 /nfs/dbraw/zinc/18/22/97/1001182297.db2.gz CVHPGBMPOFARJV-GIWBLDEGSA-N 1 3 369.553 2.740 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC ZINC001109957128 1001209022 /nfs/dbraw/zinc/20/90/22/1001209022.db2.gz CGZCDPYNGVOBRJ-FYQPLNBISA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCOC ZINC001109957128 1001209025 /nfs/dbraw/zinc/20/90/25/1001209025.db2.gz CGZCDPYNGVOBRJ-FYQPLNBISA-N 1 3 365.562 2.789 20 0 FFADHO Cc1oncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086881959 1001299130 /nfs/dbraw/zinc/29/91/30/1001299130.db2.gz UAWAQPNJVOCYSU-OXJNMPFZSA-N 1 3 370.497 2.733 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](OCC)C1 ZINC001087096365 1001784507 /nfs/dbraw/zinc/78/45/07/1001784507.db2.gz JXTDTCQHWUTVQU-VAMGGRTRSA-N 1 3 365.562 2.504 20 0 FFADHO CCOC(=O)C1CCC([NH2+]C2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001183354886 1002236743 /nfs/dbraw/zinc/23/67/43/1002236743.db2.gz IPJBYNFCSKROSS-UHFFFAOYSA-N 1 3 352.519 2.731 20 0 FFADHO Cc1cc(N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c2ccccc2[nH+]1 ZINC001183359549 1002237499 /nfs/dbraw/zinc/23/74/99/1002237499.db2.gz GGHCEHUUKJITCA-HXUWFJFHSA-N 1 3 354.498 2.778 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CC4CC5(CCC5)C4)C[C@@]3(C)C2)C1 ZINC001092013370 1002285267 /nfs/dbraw/zinc/28/52/67/1002285267.db2.gz OLDGVURCGKTGRM-QFUCXCTJSA-N 1 3 359.558 2.689 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4CC5(CCC5)C4)C[C@@]3(C)C2)C1 ZINC001092013370 1002285274 /nfs/dbraw/zinc/28/52/74/1002285274.db2.gz OLDGVURCGKTGRM-QFUCXCTJSA-N 1 3 359.558 2.689 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092012971 1002286156 /nfs/dbraw/zinc/28/61/56/1002286156.db2.gz FLKVPSDXDOMIBI-LLBVYWAGSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092012971 1002286161 /nfs/dbraw/zinc/28/61/61/1002286161.db2.gz FLKVPSDXDOMIBI-LLBVYWAGSA-N 1 3 369.553 2.926 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCc3ccsc3)C[C@@]2(C)C1)N(C)C ZINC001092021699 1002298530 /nfs/dbraw/zinc/29/85/30/1002298530.db2.gz GTNYPJSXDSDSAC-HBFSDRIKSA-N 1 3 363.571 2.801 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCc3ccsc3)C[C@@]2(C)C1)N(C)C ZINC001092021699 1002298539 /nfs/dbraw/zinc/29/85/39/1002298539.db2.gz GTNYPJSXDSDSAC-HBFSDRIKSA-N 1 3 363.571 2.801 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@]3(C)C2)c1 ZINC001092022400 1002300895 /nfs/dbraw/zinc/30/08/95/1002300895.db2.gz VJDACHDOQRUENM-URVUXULASA-N 1 3 357.542 2.870 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@]3(C)C2)c1 ZINC001092022400 1002300908 /nfs/dbraw/zinc/30/09/08/1002300908.db2.gz VJDACHDOQRUENM-URVUXULASA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H](C(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1)[NH+]1CCCC1 ZINC001273502033 1002917814 /nfs/dbraw/zinc/91/78/14/1002917814.db2.gz FUJLDKRPOLMRJJ-HNNXBMFYSA-N 1 3 361.452 2.738 20 0 FFADHO Cc1cc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)n(C)n1 ZINC000793519056 1003396903 /nfs/dbraw/zinc/39/69/03/1003396903.db2.gz ALMGFGRRKRDQNZ-FQEVSTJZSA-N 1 3 369.557 2.977 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000775687970 1003682193 /nfs/dbraw/zinc/68/21/93/1003682193.db2.gz FCUMZEKROQVPDS-OXJNMPFZSA-N 1 3 353.466 2.831 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3nncc4cnccc43)c3ccccc23)CC1 ZINC001170525568 1004615865 /nfs/dbraw/zinc/61/58/65/1004615865.db2.gz TUFJATRZINWJJQ-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO CS(=O)(=O)Nc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001199320400 1004910422 /nfs/dbraw/zinc/91/04/22/1004910422.db2.gz LLVUBUSVTKNYLW-UHFFFAOYSA-N 1 3 373.522 2.812 20 0 FFADHO O=c1[nH]c2ccccc2cc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001201954561 1005292982 /nfs/dbraw/zinc/29/29/82/1005292982.db2.gz QPDZNAAERMBCTR-HXUWFJFHSA-N 1 3 363.461 2.797 20 0 FFADHO O=c1[nH]c2ccccc2cc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001201954561 1005292988 /nfs/dbraw/zinc/29/29/88/1005292988.db2.gz QPDZNAAERMBCTR-HXUWFJFHSA-N 1 3 363.461 2.797 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001097063606 1016962907 /nfs/dbraw/zinc/96/29/07/1016962907.db2.gz NNWAQNHKHSJAGY-NCOADZHNSA-N 1 3 355.473 2.626 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001097063606 1016962918 /nfs/dbraw/zinc/96/29/18/1016962918.db2.gz NNWAQNHKHSJAGY-NCOADZHNSA-N 1 3 355.473 2.626 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C(C)C)c(C)n1 ZINC001489056533 1005400559 /nfs/dbraw/zinc/40/05/59/1005400559.db2.gz VIJSADCHZVQBRV-UZLBHIALSA-N 1 3 360.546 2.755 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC001086712240 1005966515 /nfs/dbraw/zinc/96/65/15/1005966515.db2.gz WOQDFUJXQBNLBY-GVDBMIGSSA-N 1 3 364.559 2.700 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC001086712240 1005966522 /nfs/dbraw/zinc/96/65/22/1005966522.db2.gz WOQDFUJXQBNLBY-GVDBMIGSSA-N 1 3 364.559 2.700 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000813877385 1006069195 /nfs/dbraw/zinc/06/91/95/1006069195.db2.gz ULQJNDFBNXVCGG-XMTFNYHQSA-N 1 3 369.550 2.578 20 0 FFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCOC1 ZINC000882460177 1006405906 /nfs/dbraw/zinc/40/59/06/1006405906.db2.gz CRXHTZOPRXNRDJ-AZUAARDMSA-N 1 3 365.562 2.504 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cccc3c2CCOC3)C1 ZINC000883085485 1006635372 /nfs/dbraw/zinc/63/53/72/1006635372.db2.gz SJIRYXUVLOSGBG-OAQYLSRUSA-N 1 3 352.478 2.616 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc3c2CCOC3)C1 ZINC000883085485 1006635383 /nfs/dbraw/zinc/63/53/83/1006635383.db2.gz SJIRYXUVLOSGBG-OAQYLSRUSA-N 1 3 352.478 2.616 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC[N@@H+]1C ZINC001135272115 1006818830 /nfs/dbraw/zinc/81/88/30/1006818830.db2.gz HMQGGNYPSDSRSP-ZCNNSNEGSA-N 1 3 359.514 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC[N@H+]1C ZINC001135272115 1006818848 /nfs/dbraw/zinc/81/88/48/1006818848.db2.gz HMQGGNYPSDSRSP-ZCNNSNEGSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@]1(C[NH3+])CCCN(Cc2sc(N3CCC(O)CC3)nc2Cl)CC1 ZINC001206310707 1032220690 /nfs/dbraw/zinc/22/06/90/1032220690.db2.gz AIGUYKUOQSYXFU-QGZVFWFLSA-N 1 3 372.966 2.709 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)ccc1OC ZINC000775386265 1007637130 /nfs/dbraw/zinc/63/71/30/1007637130.db2.gz PGIFJHSGTDGVBL-ZWKOTPCHSA-N 1 3 363.546 2.908 20 0 FFADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000856411686 1007811169 /nfs/dbraw/zinc/81/11/69/1007811169.db2.gz XQFRGLUIQYWQAV-FQEVSTJZSA-N 1 3 373.541 2.506 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(CN2CCCCC2)c1 ZINC000885888611 1007824859 /nfs/dbraw/zinc/82/48/59/1007824859.db2.gz MOEIIQKECLIWDJ-OAQYLSRUSA-N 1 3 371.525 2.656 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cccc(CN2CCCCC2)c1 ZINC000885888611 1007824867 /nfs/dbraw/zinc/82/48/67/1007824867.db2.gz MOEIIQKECLIWDJ-OAQYLSRUSA-N 1 3 371.525 2.656 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3COC(C)(C)O3)C2)ccn1 ZINC000856607214 1007914198 /nfs/dbraw/zinc/91/41/98/1007914198.db2.gz YLHJCLFQJGIEPX-RBUKOAKNSA-N 1 3 363.502 2.526 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3COC(C)(C)O3)C2)ccn1 ZINC000856607214 1007914206 /nfs/dbraw/zinc/91/42/06/1007914206.db2.gz YLHJCLFQJGIEPX-RBUKOAKNSA-N 1 3 363.502 2.526 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000818956883 1007993727 /nfs/dbraw/zinc/99/37/27/1007993727.db2.gz ATNTWENGRHIKMJ-QFIPXVFZSA-N 1 3 353.510 2.647 20 0 FFADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COCC1CC1 ZINC000820809030 1008374090 /nfs/dbraw/zinc/37/40/90/1008374090.db2.gz SAFQWLMYLCSEPZ-KBRMVUAJSA-N 1 3 358.526 2.949 20 0 FFADHO O[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCC1CC1 ZINC000820809030 1008374093 /nfs/dbraw/zinc/37/40/93/1008374093.db2.gz SAFQWLMYLCSEPZ-KBRMVUAJSA-N 1 3 358.526 2.949 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cncc(C(=O)OC)c2)[C@@H](C)C1 ZINC000886528768 1008722377 /nfs/dbraw/zinc/72/23/77/1008722377.db2.gz QREGHHFXGYYDKO-BXWFABGCSA-N 1 3 363.502 2.656 20 0 FFADHO COC(=O)c1cncc([C@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000886630252 1008781472 /nfs/dbraw/zinc/78/14/72/1008781472.db2.gz XZSYVAAGZZHGNR-BEVDRBHNSA-N 1 3 353.466 2.864 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCCCC(C)=O)CC2)CC1 ZINC000862078073 1009690224 /nfs/dbraw/zinc/69/02/24/1009690224.db2.gz RNMNQTHHCUUYTM-UHFFFAOYSA-N 1 3 365.562 2.838 20 0 FFADHO COCCCCN1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204271627 1009725446 /nfs/dbraw/zinc/72/54/46/1009725446.db2.gz AMJWKTGEVVBMCZ-UHFFFAOYSA-N 1 3 363.546 2.561 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)n1c(C)ncc(C[NH3+])c1=N)c1ccccc1 ZINC001182238016 1010460515 /nfs/dbraw/zinc/46/05/15/1010460515.db2.gz ZQLWUIULRHUCPN-GOSISDBHSA-N 1 3 355.486 2.633 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001093820505 1010592345 /nfs/dbraw/zinc/59/23/45/1010592345.db2.gz LIJFZDPLACLTLE-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001093822175 1010593825 /nfs/dbraw/zinc/59/38/25/1010593825.db2.gz MBEOKYZPYVEUNC-BRWVUGGUSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001093822175 1010593833 /nfs/dbraw/zinc/59/38/33/1010593833.db2.gz MBEOKYZPYVEUNC-BRWVUGGUSA-N 1 3 364.559 2.590 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c(C)s1 ZINC001093824068 1010595094 /nfs/dbraw/zinc/59/50/94/1010595094.db2.gz FVFUAKDOAAWKRX-ZNOIYHFQSA-N 1 3 363.571 2.889 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c(C)c1 ZINC001094042197 1010804612 /nfs/dbraw/zinc/80/46/12/1010804612.db2.gz NQRQKEGHUQJYJC-FBBABVLZSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc4c(c3)CCC4)[C@H](C)C2)C1 ZINC001094042434 1010804782 /nfs/dbraw/zinc/80/47/82/1010804782.db2.gz URZLDNGVVSDJDS-NJNPRVFISA-N 1 3 369.553 2.701 20 0 FFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001094042412 1010804920 /nfs/dbraw/zinc/80/49/20/1010804920.db2.gz UCXXHIZYUQIUKH-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC001094074514 1010833518 /nfs/dbraw/zinc/83/35/18/1010833518.db2.gz FCJSIYOCCNGQGZ-VNHYZAJKSA-N 1 3 362.424 2.676 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C)C1 ZINC001094088122 1010846929 /nfs/dbraw/zinc/84/69/29/1010846929.db2.gz CGJHMNDCYVLCBE-MISYRCLQSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@H]([NH2+]Cc1ccnc(-n2cncn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000866435884 1010995253 /nfs/dbraw/zinc/99/52/53/1010995253.db2.gz ODRIWOBONJKNOY-PXNSSMCTSA-N 1 3 362.481 2.663 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000866666869 1011034225 /nfs/dbraw/zinc/03/42/25/1011034225.db2.gz WZIVZHNHMZJVMX-TYPHKJRUSA-N 1 3 373.541 2.955 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000866667177 1011034789 /nfs/dbraw/zinc/03/47/89/1011034789.db2.gz CZHYBDASHVJCSU-UYWIDEMCSA-N 1 3 373.541 2.955 20 0 FFADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000868189018 1011195256 /nfs/dbraw/zinc/19/52/56/1011195256.db2.gz VLQFVPDSWAXSDH-SLFFLAALSA-N 1 3 350.466 2.897 20 0 FFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCC3(CN(C)C3)CC2)C1 ZINC001274230481 1011329921 /nfs/dbraw/zinc/32/99/21/1011329921.db2.gz BLAFEIAPVYQEOQ-HXUWFJFHSA-N 1 3 355.526 2.761 20 0 FFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CN(C)C3)CC2)C1 ZINC001274230481 1011329932 /nfs/dbraw/zinc/32/99/32/1011329932.db2.gz BLAFEIAPVYQEOQ-HXUWFJFHSA-N 1 3 355.526 2.761 20 0 FFADHO CCCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645382897 1011464690 /nfs/dbraw/zinc/46/46/90/1011464690.db2.gz SNFKDNUPWZWFNQ-YLJYHZDGSA-N 1 3 373.545 2.733 20 0 FFADHO CCCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645382897 1011464698 /nfs/dbraw/zinc/46/46/98/1011464698.db2.gz SNFKDNUPWZWFNQ-YLJYHZDGSA-N 1 3 373.545 2.733 20 0 FFADHO CNC(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172090714 1011622511 /nfs/dbraw/zinc/62/25/11/1011622511.db2.gz WKVAWARJYYARFD-AERCQKQUSA-N 1 3 370.541 2.966 20 0 FFADHO CNC(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172090714 1011622520 /nfs/dbraw/zinc/62/25/20/1011622520.db2.gz WKVAWARJYYARFD-AERCQKQUSA-N 1 3 370.541 2.966 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)C2 ZINC001172117023 1011651611 /nfs/dbraw/zinc/65/16/11/1011651611.db2.gz NNVGHTBJLFGQCV-QWPXSNKBSA-N 1 3 373.516 2.978 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)C2 ZINC001172117023 1011651615 /nfs/dbraw/zinc/65/16/15/1011651615.db2.gz NNVGHTBJLFGQCV-QWPXSNKBSA-N 1 3 373.516 2.978 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(Oc2ccccn2)c1 ZINC000869237221 1011686753 /nfs/dbraw/zinc/68/67/53/1011686753.db2.gz QPMDHBBFXXXZKJ-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(Oc2ccccn2)c1 ZINC000869237221 1011686760 /nfs/dbraw/zinc/68/67/60/1011686760.db2.gz QPMDHBBFXXXZKJ-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@H]1CSc2ccccc2C1 ZINC001172198458 1011705807 /nfs/dbraw/zinc/70/58/07/1011705807.db2.gz SWAKBYQUEHQBSQ-GDBMZVCRSA-N 1 3 351.516 2.883 20 0 FFADHO COCCC[NH+]1CCC(N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC001172255494 1011731992 /nfs/dbraw/zinc/73/19/92/1011731992.db2.gz SQRRWCUJDXYODZ-UHFFFAOYSA-N 1 3 365.562 2.602 20 0 FFADHO O=C([C@@H]1CCC[N@@H+]1CC1CC1)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001274924245 1011750175 /nfs/dbraw/zinc/75/01/75/1011750175.db2.gz LYUATIJPIBWOHI-YESZJQIVSA-N 1 3 373.463 2.736 20 0 FFADHO O=C([C@@H]1CCC[N@H+]1CC1CC1)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001274924245 1011750190 /nfs/dbraw/zinc/75/01/90/1011750190.db2.gz LYUATIJPIBWOHI-YESZJQIVSA-N 1 3 373.463 2.736 20 0 FFADHO COC(=O)N1CCC([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001172741338 1011979452 /nfs/dbraw/zinc/97/94/52/1011979452.db2.gz XBVMIBTYCRWGNA-UHFFFAOYSA-N 1 3 357.498 2.815 20 0 FFADHO COCCC1([NH3+])CCN(C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172811612 1012032958 /nfs/dbraw/zinc/03/29/58/1012032958.db2.gz ZITBVDFIYWJTTR-SJPCQFCGSA-N 1 3 365.518 2.523 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC([NH+]3CCC(OC)CC3)CC2)CC1 ZINC001172801160 1012052845 /nfs/dbraw/zinc/05/28/45/1012052845.db2.gz FKUFWTCOYQWWQK-IAGOWNOFSA-N 1 3 352.519 2.684 20 0 FFADHO Cc1cccc2c(CN3CCC[C@]34CCN(CC[NH+](C)C)C4=O)c[nH]c21 ZINC001275356533 1012357633 /nfs/dbraw/zinc/35/76/33/1012357633.db2.gz JHZVQQABHKBQPV-OAQYLSRUSA-N 1 3 354.498 2.605 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000647184644 1012400000 /nfs/dbraw/zinc/40/00/00/1012400000.db2.gz VQJAOYQKTWBCDX-CALCHBBNSA-N 1 3 360.502 2.968 20 0 FFADHO CC[N@@H+]1CC[C@@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001173359650 1012489568 /nfs/dbraw/zinc/48/95/68/1012489568.db2.gz FPWBRPYDQXODHG-MOPGFXCFSA-N 1 3 364.484 2.709 20 0 FFADHO CC[N@H+]1CC[C@@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001173359650 1012489578 /nfs/dbraw/zinc/48/95/78/1012489578.db2.gz FPWBRPYDQXODHG-MOPGFXCFSA-N 1 3 364.484 2.709 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cc4c(cccc4Cl)[nH]3)C2)C1=O ZINC001275476450 1012513374 /nfs/dbraw/zinc/51/33/74/1012513374.db2.gz AMINACTYNZWITP-HXUWFJFHSA-N 1 3 374.916 2.807 20 0 FFADHO COc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@@H](N(C)C)C3)CC2)cc1 ZINC001173402139 1012531105 /nfs/dbraw/zinc/53/11/05/1012531105.db2.gz OUYURCDYUBWOTA-RBUKOAKNSA-N 1 3 359.514 2.762 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCCC[C@]12CC(=O)N(CCC(F)(F)F)C2 ZINC001275508227 1012559378 /nfs/dbraw/zinc/55/93/78/1012559378.db2.gz PPXUQKQPROCNEP-QGZVFWFLSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000647833952 1012606152 /nfs/dbraw/zinc/60/61/52/1012606152.db2.gz USFFOYHVBOQDGO-OPYAIIAOSA-N 1 3 357.542 2.881 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903658 1012624903 /nfs/dbraw/zinc/62/49/03/1012624903.db2.gz NWAWPVBQRZJDGO-WOJBJXKFSA-N 1 3 368.529 2.974 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975828 1012650687 /nfs/dbraw/zinc/65/06/87/1012650687.db2.gz GOPQNWCQFVPXOU-SLFFLAALSA-N 1 3 373.541 2.590 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975677 1012651936 /nfs/dbraw/zinc/65/19/36/1012651936.db2.gz DMWMDTLFUIPRRC-BZSNNMDCSA-N 1 3 359.514 2.584 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](Cc3cccs3)C2)C1=O ZINC001275609356 1012693983 /nfs/dbraw/zinc/69/39/83/1012693983.db2.gz WWYGWVOKMMJDNB-FQEVSTJZSA-N 1 3 355.507 2.800 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1=O ZINC001275609356 1012693990 /nfs/dbraw/zinc/69/39/90/1012693990.db2.gz WWYGWVOKMMJDNB-FQEVSTJZSA-N 1 3 355.507 2.800 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1=O ZINC001275619733 1012712624 /nfs/dbraw/zinc/71/26/24/1012712624.db2.gz GUAHLAFVNYIDLD-UHFFFAOYSA-N 1 3 354.498 2.544 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](Cc3ccsc3)C2)C1=O ZINC001275618645 1012718383 /nfs/dbraw/zinc/71/83/83/1012718383.db2.gz SDBSNYKPTHJEMO-HXUWFJFHSA-N 1 3 355.507 2.800 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1=O ZINC001275618645 1012718401 /nfs/dbraw/zinc/71/84/01/1012718401.db2.gz SDBSNYKPTHJEMO-HXUWFJFHSA-N 1 3 355.507 2.800 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)C1=O ZINC001275683829 1012853192 /nfs/dbraw/zinc/85/31/92/1012853192.db2.gz SOHIYLHFFHUUIR-JOCHJYFZSA-N 1 3 357.542 2.970 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C2)C1=O ZINC001275683829 1012853210 /nfs/dbraw/zinc/85/32/10/1012853210.db2.gz SOHIYLHFFHUUIR-JOCHJYFZSA-N 1 3 357.542 2.970 20 0 FFADHO CCN([C@@H]1CCOC1)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173670978 1012862125 /nfs/dbraw/zinc/86/21/25/1012862125.db2.gz ONRGKFNVVDEVQR-QGZVFWFLSA-N 1 3 363.468 2.588 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]C3CC4(C3)COC(C)(C)C4)cc2)CC1 ZINC000924722398 1017447907 /nfs/dbraw/zinc/44/79/07/1017447907.db2.gz LKFFNXVOBKEJKW-UHFFFAOYSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@@H]1[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)CCN1Cc1ccccc1 ZINC000925558551 1017786136 /nfs/dbraw/zinc/78/61/36/1017786136.db2.gz SXLUMTQWHFRINE-CIQXWFTPSA-N 1 3 357.542 2.617 20 0 FFADHO Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCCN1C ZINC000925666361 1017812883 /nfs/dbraw/zinc/81/28/83/1017812883.db2.gz RXNRSGHVSBCNQQ-YOUFYPILSA-N 1 3 359.562 2.561 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)CC1 ZINC001097775558 1017916999 /nfs/dbraw/zinc/91/69/99/1017916999.db2.gz MSYUNIJYKMALJX-QRVBRYPASA-N 1 3 361.555 2.744 20 0 FFADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC000926996110 1018316592 /nfs/dbraw/zinc/31/65/92/1018316592.db2.gz SJTXKUQBTFXVJT-JJTXZYAPSA-N 1 3 364.530 2.586 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000777615297 1018352082 /nfs/dbraw/zinc/35/20/82/1018352082.db2.gz PZDSSEYIXYWVQJ-SIKLNZKXSA-N 1 3 374.573 2.987 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000777615297 1018352089 /nfs/dbraw/zinc/35/20/89/1018352089.db2.gz PZDSSEYIXYWVQJ-SIKLNZKXSA-N 1 3 374.573 2.987 20 0 FFADHO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000681219085 1018419684 /nfs/dbraw/zinc/41/96/84/1018419684.db2.gz TXCPVWWPEKXVPA-LEWJYISDSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000681219085 1018419689 /nfs/dbraw/zinc/41/96/89/1018419689.db2.gz TXCPVWWPEKXVPA-LEWJYISDSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(Cc4cccc(F)c4)C3)C2)CC[N@@H+]1C ZINC001041296537 1018771028 /nfs/dbraw/zinc/77/10/28/1018771028.db2.gz IOISWGGZYMVHEN-OZOXKJRCSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(Cc4cccc(F)c4)C3)C2)CC[N@H+]1C ZINC001041296537 1018771035 /nfs/dbraw/zinc/77/10/35/1018771035.db2.gz IOISWGGZYMVHEN-OZOXKJRCSA-N 1 3 359.489 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4cncc(C)c4)C3)C2)CC[N@@H+]1C ZINC001041302287 1018775913 /nfs/dbraw/zinc/77/59/13/1018775913.db2.gz VQPOBCZMXRJEEY-VWPQPMDRSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4cncc(C)c4)C3)C2)CC[N@H+]1C ZINC001041302287 1018775933 /nfs/dbraw/zinc/77/59/33/1018775933.db2.gz VQPOBCZMXRJEEY-VWPQPMDRSA-N 1 3 370.541 2.545 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1(C)C ZINC000827863631 1018800119 /nfs/dbraw/zinc/80/01/19/1018800119.db2.gz MDZROHJRSQKNGO-WIYYLYMNSA-N 1 3 365.562 2.680 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(NC(=O)OC)CC2)CC1 ZINC000827929479 1019015662 /nfs/dbraw/zinc/01/56/62/1019015662.db2.gz KNUDUZRMKWSCCL-UHFFFAOYSA-N 1 3 374.529 2.539 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)c(C)c1 ZINC001095965171 1019620183 /nfs/dbraw/zinc/62/01/83/1019620183.db2.gz MNDKZAZYZWTELE-HKBOAZHASA-N 1 3 355.526 2.867 20 0 FFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015501 1019899216 /nfs/dbraw/zinc/89/92/16/1019899216.db2.gz IQYQUXOBBGNSNL-YLAKUSLOSA-N 1 3 353.526 2.967 20 0 FFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015501 1019899230 /nfs/dbraw/zinc/89/92/30/1019899230.db2.gz IQYQUXOBBGNSNL-YLAKUSLOSA-N 1 3 353.526 2.967 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(COC[C@H]2CCC3(C[NH2+]C3)O2)O1 ZINC001217797957 1032873793 /nfs/dbraw/zinc/87/37/93/1032873793.db2.gz GJPSYZYBSANOEK-CTNGQTDRSA-N 1 3 374.525 2.594 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000902956513 1020596779 /nfs/dbraw/zinc/59/67/79/1020596779.db2.gz BCSQAHNCTWGGOY-IBGZPJMESA-N 1 3 355.486 2.958 20 0 FFADHO CN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[C@H]1CCCN(C)C1 ZINC000932420569 1020795352 /nfs/dbraw/zinc/79/53/52/1020795352.db2.gz AZHCQUQBSNWCAQ-PMACEKPBSA-N 1 3 371.529 2.529 20 0 FFADHO CN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)[C@H]1CCCN(C)C1 ZINC000932420569 1020795355 /nfs/dbraw/zinc/79/53/55/1020795355.db2.gz AZHCQUQBSNWCAQ-PMACEKPBSA-N 1 3 371.529 2.529 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749586817 1021010477 /nfs/dbraw/zinc/01/04/77/1021010477.db2.gz NYWMXUMVMKMHRO-VQTJNVASSA-N 1 3 360.546 2.675 20 0 FFADHO CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@@H]3CN4C[C@H]3NCC4)c2C1 ZINC001218109744 1033001155 /nfs/dbraw/zinc/00/11/55/1033001155.db2.gz DWVKMCYZQOCHGE-SYYKKAFVSA-N 1 3 357.542 2.701 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(Cc2cncc(C)c2)CC3)CC[N@@H+]1C ZINC001016630464 1022058046 /nfs/dbraw/zinc/05/80/46/1022058046.db2.gz GFBGTUCGBXHLAT-ZCNNSNEGSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(Cc2cncc(C)c2)CC3)CC[N@H+]1C ZINC001016630464 1022058060 /nfs/dbraw/zinc/05/80/60/1022058060.db2.gz GFBGTUCGBXHLAT-ZCNNSNEGSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(Cc2ncccc2C)CC3)CC[N@@H+]1C ZINC001016630159 1022059458 /nfs/dbraw/zinc/05/94/58/1022059458.db2.gz BZVFEWNBFDEICB-SXLOBPIMSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(Cc2ncccc2C)CC3)CC[N@H+]1C ZINC001016630159 1022059475 /nfs/dbraw/zinc/05/94/75/1022059475.db2.gz BZVFEWNBFDEICB-SXLOBPIMSA-N 1 3 370.541 2.591 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(Cc2ccccc2F)CC3)CC[N@@H+]1C ZINC001016631884 1022061433 /nfs/dbraw/zinc/06/14/33/1022061433.db2.gz FSKXAPHYGOUPGW-SZVBFZGTSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(Cc2ccccc2F)CC3)CC[N@H+]1C ZINC001016631884 1022061448 /nfs/dbraw/zinc/06/14/48/1022061448.db2.gz FSKXAPHYGOUPGW-SZVBFZGTSA-N 1 3 359.489 2.637 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001099268446 1022194950 /nfs/dbraw/zinc/19/49/50/1022194950.db2.gz AWVRRKMRQPUGTO-BRWVUGGUSA-N 1 3 371.447 2.548 20 0 FFADHO CCOc1cc(CN2CCC(F)(C[NH3+])CC2)ccc1OCCCOC ZINC001222543121 1033039963 /nfs/dbraw/zinc/03/99/63/1033039963.db2.gz OUONDBKXNIOTNB-UHFFFAOYSA-N 1 3 354.466 2.763 20 0 FFADHO Cc1ccncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001099497360 1022633632 /nfs/dbraw/zinc/63/36/32/1022633632.db2.gz XDNYLXSPUDMTNX-CBQOVEMMSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1ccncc1CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040211699 1022804820 /nfs/dbraw/zinc/80/48/20/1022804820.db2.gz XVFBCSGGVWJBAJ-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccncc1CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040211699 1022804835 /nfs/dbraw/zinc/80/48/35/1022804835.db2.gz XVFBCSGGVWJBAJ-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001120487541 1023338088 /nfs/dbraw/zinc/33/80/88/1023338088.db2.gz ABHIJDDHZIVLDB-NRFANRHFSA-N 1 3 369.509 2.632 20 0 FFADHO O[C@@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1ccccc1C(F)(F)F ZINC001120607640 1023383977 /nfs/dbraw/zinc/38/39/77/1023383977.db2.gz GEIQJZJDNQTBJZ-ZNMIVQPWSA-N 1 3 358.404 2.662 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001123494672 1023831477 /nfs/dbraw/zinc/83/14/77/1023831477.db2.gz QWAYZUJMUNNEKJ-MOPGFXCFSA-N 1 3 374.577 2.665 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N2CCN(CC3CCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000950630752 1023885383 /nfs/dbraw/zinc/88/53/83/1023885383.db2.gz IKJSYYWBZKVFKZ-RTWAWAEBSA-N 1 3 355.526 2.666 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N2CCN(CC3CCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000950630752 1023885388 /nfs/dbraw/zinc/88/53/88/1023885388.db2.gz IKJSYYWBZKVFKZ-RTWAWAEBSA-N 1 3 355.526 2.666 20 0 FFADHO CCOc1ccccc1[C@@H](N)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121900125 1024151434 /nfs/dbraw/zinc/15/14/34/1024151434.db2.gz BKEKHSKTZGJBQC-ICSRJNTNSA-N 1 3 367.493 2.866 20 0 FFADHO CCOc1ccccc1[C@@H](N)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121900125 1024151443 /nfs/dbraw/zinc/15/14/43/1024151443.db2.gz BKEKHSKTZGJBQC-ICSRJNTNSA-N 1 3 367.493 2.866 20 0 FFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc2c1OCCNC2 ZINC001122004772 1024257100 /nfs/dbraw/zinc/25/71/00/1024257100.db2.gz ALMBHWJTGMTOIB-UHFFFAOYSA-N 1 3 357.498 2.696 20 0 FFADHO CCc1cc(C(=O)OC)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)s1 ZINC001218547181 1033215109 /nfs/dbraw/zinc/21/51/09/1033215109.db2.gz KQMQNSZYMQGKLB-AWEZNQCLSA-N 1 3 355.504 2.531 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101400136 1024637572 /nfs/dbraw/zinc/63/75/72/1024637572.db2.gz ILKOFAGILVIDIV-UZKOGDIHSA-N 1 3 355.526 2.796 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101400136 1024637575 /nfs/dbraw/zinc/63/75/75/1024637575.db2.gz ILKOFAGILVIDIV-UZKOGDIHSA-N 1 3 355.526 2.796 20 0 FFADHO Cc1sc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(C(=O)c2ccccc2)c1C ZINC001218586664 1033234154 /nfs/dbraw/zinc/23/41/54/1033234154.db2.gz CVWSCTSWXSJZBJ-QGZVFWFLSA-N 1 3 371.506 2.861 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101443914 1024759966 /nfs/dbraw/zinc/75/99/66/1024759966.db2.gz QCPPWHPBMISBEF-UZKOGDIHSA-N 1 3 355.526 2.796 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101443914 1024759977 /nfs/dbraw/zinc/75/99/77/1024759977.db2.gz QCPPWHPBMISBEF-UZKOGDIHSA-N 1 3 355.526 2.796 20 0 FFADHO C[C@@]12CN(Cc3cccnc3)C[C@@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001101464695 1024809073 /nfs/dbraw/zinc/80/90/73/1024809073.db2.gz UHSRMMZCRISOHA-IRLDBZIGSA-N 1 3 370.541 2.628 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c(C)c1 ZINC001102048439 1025354972 /nfs/dbraw/zinc/35/49/72/1025354972.db2.gz BLMMSNRCFWTWRO-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c(C)c1 ZINC001102048439 1025354989 /nfs/dbraw/zinc/35/49/89/1025354989.db2.gz BLMMSNRCFWTWRO-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102049976 1025359105 /nfs/dbraw/zinc/35/91/05/1025359105.db2.gz OAQZJMBFLNKPGQ-MRRRUUNJSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102049976 1025359119 /nfs/dbraw/zinc/35/91/19/1025359119.db2.gz OAQZJMBFLNKPGQ-MRRRUUNJSA-N 1 3 355.526 2.868 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCNc2ncccn2)CC1 ZINC000088741412 1025441724 /nfs/dbraw/zinc/44/17/24/1025441724.db2.gz KXLGAQRNKPRNIT-UHFFFAOYSA-N 1 3 368.529 2.600 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccnc2ccc(OC)cc12 ZINC001141150030 1025528501 /nfs/dbraw/zinc/52/85/01/1025528501.db2.gz USYLPJGKMFURKN-UHFFFAOYSA-N 1 3 359.470 2.560 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccnc2ccc(OC)cc12 ZINC001141150030 1025528512 /nfs/dbraw/zinc/52/85/12/1025528512.db2.gz USYLPJGKMFURKN-UHFFFAOYSA-N 1 3 359.470 2.560 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(C[NH+](C)C)CC3)C2)cc1 ZINC000637718940 1025545627 /nfs/dbraw/zinc/54/56/27/1025545627.db2.gz AUXBKXOGWRHART-HXUWFJFHSA-N 1 3 358.530 2.553 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)c1oc(CN)cc1C)[NH+]1CCCC1 ZINC000638050309 1025681284 /nfs/dbraw/zinc/68/12/84/1025681284.db2.gz NAVNRPCPONDQBA-QGZVFWFLSA-N 1 3 357.454 2.622 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C)N(C)C ZINC001102330348 1025758947 /nfs/dbraw/zinc/75/89/47/1025758947.db2.gz QFEWHIVSRVEJQH-YVWKXTFCSA-N 1 3 363.521 2.639 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C)N(C)C ZINC001102330348 1025758957 /nfs/dbraw/zinc/75/89/57/1025758957.db2.gz QFEWHIVSRVEJQH-YVWKXTFCSA-N 1 3 363.521 2.639 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@H]2C)C1 ZINC001102369649 1025824827 /nfs/dbraw/zinc/82/48/27/1025824827.db2.gz BKBTUIPBYAAHEY-LZLYRXPVSA-N 1 3 371.516 2.838 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2C)C1 ZINC001102369649 1025824846 /nfs/dbraw/zinc/82/48/46/1025824846.db2.gz BKBTUIPBYAAHEY-LZLYRXPVSA-N 1 3 371.516 2.838 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001102380772 1025856004 /nfs/dbraw/zinc/85/60/04/1025856004.db2.gz VXAIGJIORJEXRY-ZTNFWEORSA-N 1 3 356.514 2.692 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001102380772 1025856024 /nfs/dbraw/zinc/85/60/24/1025856024.db2.gz VXAIGJIORJEXRY-ZTNFWEORSA-N 1 3 356.514 2.692 20 0 FFADHO [NH3+]C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1C(F)(F)F ZINC000638559794 1025891718 /nfs/dbraw/zinc/89/17/18/1025891718.db2.gz QRGYMNQQIADMCH-DLBZAZTESA-N 1 3 369.431 2.882 20 0 FFADHO CO[C@@](C)(CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000639162008 1026202306 /nfs/dbraw/zinc/20/23/06/1026202306.db2.gz ODDOVHKCNMDDND-YADHBBJMSA-N 1 3 357.542 2.694 20 0 FFADHO CO[C@@](C)(CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000639162008 1026202316 /nfs/dbraw/zinc/20/23/16/1026202316.db2.gz ODDOVHKCNMDDND-YADHBBJMSA-N 1 3 357.542 2.694 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC001102532663 1026246463 /nfs/dbraw/zinc/24/64/63/1026246463.db2.gz YNOGPXRJBHXCCR-VQIMIIECSA-N 1 3 354.498 2.578 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C ZINC001102532663 1026246473 /nfs/dbraw/zinc/24/64/73/1026246473.db2.gz YNOGPXRJBHXCCR-VQIMIIECSA-N 1 3 354.498 2.578 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC000639272455 1026260722 /nfs/dbraw/zinc/26/07/22/1026260722.db2.gz YTQHIZDAVAAXBI-URVUXULASA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC000639272455 1026260729 /nfs/dbraw/zinc/26/07/29/1026260729.db2.gz YTQHIZDAVAAXBI-URVUXULASA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(CN2CC[C@H](O)[C@@H](CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639272455 1026260735 /nfs/dbraw/zinc/26/07/35/1026260735.db2.gz YTQHIZDAVAAXBI-URVUXULASA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(CN2CC[C@H](O)[C@@H](CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639272455 1026260742 /nfs/dbraw/zinc/26/07/42/1026260742.db2.gz YTQHIZDAVAAXBI-URVUXULASA-N 1 3 360.542 2.600 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN(C2CC2)C1 ZINC000838506726 1026395247 /nfs/dbraw/zinc/39/52/47/1026395247.db2.gz MIDLDNUCWVMQOD-VIQWUECVSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102600835 1026400584 /nfs/dbraw/zinc/40/05/84/1026400584.db2.gz XNNCVSXBLREHCY-WOIUINJBSA-N 1 3 371.569 2.816 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102600835 1026400588 /nfs/dbraw/zinc/40/05/88/1026400588.db2.gz XNNCVSXBLREHCY-WOIUINJBSA-N 1 3 371.569 2.816 20 0 FFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839527269 1026715864 /nfs/dbraw/zinc/71/58/64/1026715864.db2.gz CTMASPZHUCBRGV-UHFFFAOYSA-N 1 3 371.447 2.889 20 0 FFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839527269 1026715874 /nfs/dbraw/zinc/71/58/74/1026715874.db2.gz CTMASPZHUCBRGV-UHFFFAOYSA-N 1 3 371.447 2.889 20 0 FFADHO COC(=O)C[C@]1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCCOC1 ZINC000839560847 1026733477 /nfs/dbraw/zinc/73/34/77/1026733477.db2.gz PYOCHAHONAMQLD-OAQYLSRUSA-N 1 3 360.498 2.874 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085451 1026946247 /nfs/dbraw/zinc/94/62/47/1026946247.db2.gz WBZWQELSLAOYTF-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085451 1026946254 /nfs/dbraw/zinc/94/62/54/1026946254.db2.gz WBZWQELSLAOYTF-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CN1CCC(N(c2ccc(OCC3CC[NH2+]CC3)nn2)C2CCCC2)CC1 ZINC001158493643 1027043585 /nfs/dbraw/zinc/04/35/85/1027043585.db2.gz DHEURWKBAIETRA-UHFFFAOYSA-N 1 3 373.545 2.698 20 0 FFADHO [NH3+]C/C=C\CNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000641869783 1027339588 /nfs/dbraw/zinc/33/95/88/1027339588.db2.gz GYAVDALLQANFJC-FPLPWBNLSA-N 1 3 356.514 2.732 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001159292684 1027342611 /nfs/dbraw/zinc/34/26/11/1027342611.db2.gz YDPCOKBUJROKIE-HXUWFJFHSA-N 1 3 369.553 2.798 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001159292684 1027342629 /nfs/dbraw/zinc/34/26/29/1027342629.db2.gz YDPCOKBUJROKIE-HXUWFJFHSA-N 1 3 369.553 2.798 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000642030460 1027390787 /nfs/dbraw/zinc/39/07/87/1027390787.db2.gz LOCOYDNSKKYNBU-SESVDKBCSA-N 1 3 370.541 2.600 20 0 FFADHO CN1CCN(Cc2ccc(Nc3ccc(N4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001159456251 1027399024 /nfs/dbraw/zinc/39/90/24/1027399024.db2.gz QCLJHYQAIGKYDI-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO COC(=O)c1cccc([C@H](C)Nc2cccc(N3CCC([NH3+])CC3)n2)c1 ZINC001159958022 1027543732 /nfs/dbraw/zinc/54/37/32/1027543732.db2.gz BAJBLVYQGSYRQR-AWEZNQCLSA-N 1 3 354.454 2.969 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(Cc3cnccc3C)CC2)CC[N@@H+]1C ZINC001160169005 1027619279 /nfs/dbraw/zinc/61/92/79/1027619279.db2.gz GCCPBTWEDRRBQY-LEWJYISDSA-N 1 3 370.541 2.759 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(Cc3cnccc3C)CC2)CC[N@H+]1C ZINC001160169005 1027619288 /nfs/dbraw/zinc/61/92/88/1027619288.db2.gz GCCPBTWEDRRBQY-LEWJYISDSA-N 1 3 370.541 2.759 20 0 FFADHO c1cc(NC2=CC[C@@H](N3CCOCC3)CC2)cc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160217805 1027640108 /nfs/dbraw/zinc/64/01/08/1027640108.db2.gz OTFSZJFJHKQDGU-TZIWHRDSSA-N 1 3 357.498 2.998 20 0 FFADHO CN1CCN(Cc2ccc(Nc3cccc4c3[C@@H]3C[NH2+]C[C@@H]3O4)cc2)CC1 ZINC001160397006 1027693453 /nfs/dbraw/zinc/69/34/53/1027693453.db2.gz XLWUYXHVJRJQMP-NQIIRXRSSA-N 1 3 364.493 2.625 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000642642216 1027710917 /nfs/dbraw/zinc/71/09/17/1027710917.db2.gz IFTXMNDDGIWWNN-OAQYLSRUSA-N 1 3 366.509 2.822 20 0 FFADHO Cc1ccc([C@@]2(C)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCO2)cc1 ZINC001160679027 1027799338 /nfs/dbraw/zinc/79/93/38/1027799338.db2.gz CGRDYVFUBXHIFN-PZJWPPBQSA-N 1 3 361.530 2.565 20 0 FFADHO COc1cccc2c1c(C[NH3+])cn2-c1nc(Cl)nc2c1CN(C)CC2 ZINC001160765040 1027869543 /nfs/dbraw/zinc/86/95/43/1027869543.db2.gz QRVARUNLIOUKTO-UHFFFAOYSA-N 1 3 357.845 2.529 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001160955712 1027943264 /nfs/dbraw/zinc/94/32/64/1027943264.db2.gz FYINJOSWPFAFKY-YFVAEKQCSA-N 1 3 373.541 2.754 20 0 FFADHO CS[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC001153676445 1027957298 /nfs/dbraw/zinc/95/72/98/1027957298.db2.gz NOMCAUXWYIZQON-ROUUACIJSA-N 1 3 372.538 2.943 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)[C@H](C)C1 ZINC001161003487 1027969894 /nfs/dbraw/zinc/96/98/94/1027969894.db2.gz RBNUMXALPYUEEB-LJQANCHMSA-N 1 3 372.557 2.773 20 0 FFADHO CC[N@H+]1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)[C@H](C)C1 ZINC001161003487 1027969908 /nfs/dbraw/zinc/96/99/08/1027969908.db2.gz RBNUMXALPYUEEB-LJQANCHMSA-N 1 3 372.557 2.773 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)C[C@H]21 ZINC001161081128 1028001815 /nfs/dbraw/zinc/00/18/15/1028001815.db2.gz FOFCTXWACYMMCT-HFBAOOFYSA-N 1 3 356.297 2.936 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)C[C@H]21 ZINC001161081128 1028001823 /nfs/dbraw/zinc/00/18/23/1028001823.db2.gz FOFCTXWACYMMCT-HFBAOOFYSA-N 1 3 356.297 2.936 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)N(C)CC[N@H+](C)Cc2ccccc2)cc1 ZINC001161159098 1028042606 /nfs/dbraw/zinc/04/26/06/1028042606.db2.gz USEYULRULRVJAH-NRFANRHFSA-N 1 3 369.509 2.546 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC001161159098 1028042618 /nfs/dbraw/zinc/04/26/18/1028042618.db2.gz USEYULRULRVJAH-NRFANRHFSA-N 1 3 369.509 2.546 20 0 FFADHO COc1ccc(C2=CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC2)cc1 ZINC001161221815 1028075997 /nfs/dbraw/zinc/07/59/97/1028075997.db2.gz XDJJNNWMYLZKRC-FQEVSTJZSA-N 1 3 359.514 2.807 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001103754742 1028140803 /nfs/dbraw/zinc/14/08/03/1028140803.db2.gz UQMHNEBRTFQMJP-NVXWUHKLSA-N 1 3 367.484 2.879 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001103754742 1028140816 /nfs/dbraw/zinc/14/08/16/1028140816.db2.gz UQMHNEBRTFQMJP-NVXWUHKLSA-N 1 3 367.484 2.879 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)cc1 ZINC001103755839 1028144321 /nfs/dbraw/zinc/14/43/21/1028144321.db2.gz POUVCBMKQNFBOV-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)cc1 ZINC001103755839 1028144330 /nfs/dbraw/zinc/14/43/30/1028144330.db2.gz POUVCBMKQNFBOV-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO [NH3+]C1CCN(c2cccc(NC3(Cc4ccncc4)CCOCC3)n2)CC1 ZINC001161400597 1028158855 /nfs/dbraw/zinc/15/88/55/1028158855.db2.gz IDIUOHAMOXRBSZ-UHFFFAOYSA-N 1 3 367.497 2.608 20 0 FFADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424836 1028164484 /nfs/dbraw/zinc/16/44/84/1028164484.db2.gz OFBMYZUSVNUGQM-WBVHZDCISA-N 1 3 369.431 2.698 20 0 FFADHO CN(C)CCN(C(=O)c1ccc(OC2CCCCC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC001161449938 1028179609 /nfs/dbraw/zinc/17/96/09/1028179609.db2.gz VWLVOANHDJQHEM-GOSISDBHSA-N 1 3 374.529 2.549 20 0 FFADHO CCOc1cccc2cc(C(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)oc21 ZINC001161450647 1028181552 /nfs/dbraw/zinc/18/15/52/1028181552.db2.gz HEVRPAANSLKTEL-INIZCTEOSA-N 1 3 359.470 2.587 20 0 FFADHO C[NH+]1CCC(N(C(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)C2CCCC2)CC1 ZINC001161454094 1028184080 /nfs/dbraw/zinc/18/40/80/1028184080.db2.gz QYUKCILBGMXKNS-CZUORRHYSA-N 1 3 361.452 2.782 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001161469632 1028190142 /nfs/dbraw/zinc/19/01/42/1028190142.db2.gz UBIPSXJGCQLSDQ-DLBZAZTESA-N 1 3 363.452 2.512 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001161469632 1028190149 /nfs/dbraw/zinc/19/01/49/1028190149.db2.gz UBIPSXJGCQLSDQ-DLBZAZTESA-N 1 3 363.452 2.512 20 0 FFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccccc1F ZINC000644513626 1028512950 /nfs/dbraw/zinc/51/29/50/1028512950.db2.gz FXXAURXPTGDOCJ-IBGZPJMESA-N 1 3 358.457 2.951 20 0 FFADHO Cc1nc(NCCCP(CCC[NH3+])c2ccccc2)cc(N(C)C)n1 ZINC001162464506 1028547082 /nfs/dbraw/zinc/54/70/82/1028547082.db2.gz XTSUEIOKJGSHFB-UHFFFAOYSA-N 1 3 359.458 2.809 20 0 FFADHO c1c([C@H]2CNCCO2)cn2c1cccc2NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162810427 1028664274 /nfs/dbraw/zinc/66/42/74/1028664274.db2.gz TXLQLCYONDEHNH-OAQYLSRUSA-N 1 3 362.477 2.858 20 0 FFADHO c1nc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc2c1CNCC2 ZINC001155630697 1028826562 /nfs/dbraw/zinc/82/65/62/1028826562.db2.gz VWEZUMHWKHXUOQ-XWDORNJCSA-N 1 3 365.525 2.522 20 0 FFADHO c1nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc2c1CNCC2 ZINC001155630697 1028826579 /nfs/dbraw/zinc/82/65/79/1028826579.db2.gz VWEZUMHWKHXUOQ-XWDORNJCSA-N 1 3 365.525 2.522 20 0 FFADHO O=C(Nc1cccc(N[C@@H]2CNCc3ccsc32)c1)NC1CC[NH2+]CC1 ZINC001163229758 1028849514 /nfs/dbraw/zinc/84/95/14/1028849514.db2.gz LAZOSWURGLCMQB-QGZVFWFLSA-N 1 3 371.510 2.878 20 0 FFADHO CN1CCC(CNc2cnc3cccc(Br)n23)([NH+](C)C)CC1 ZINC001164213396 1029205319 /nfs/dbraw/zinc/20/53/19/1029205319.db2.gz USYZYQQMGWUPOO-UHFFFAOYSA-N 1 3 366.307 2.535 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001111767095 1029388377 /nfs/dbraw/zinc/38/83/77/1029388377.db2.gz OXNNCVJNUSQRNU-ZVDOUQERSA-N 1 3 361.505 2.837 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001111767095 1029388394 /nfs/dbraw/zinc/38/83/94/1029388394.db2.gz OXNNCVJNUSQRNU-ZVDOUQERSA-N 1 3 361.505 2.837 20 0 FFADHO Cc1cnc(N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)nc1C1C[NH2+]C1 ZINC001165198946 1029442576 /nfs/dbraw/zinc/44/25/76/1029442576.db2.gz WCAFLZZABIOIHB-IRXDYDNUSA-N 1 3 351.498 2.571 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCc3cccc4c3OC(F)(F)O4)n2)CC1 ZINC001157574889 1029620659 /nfs/dbraw/zinc/62/06/59/1029620659.db2.gz UKCXHHNSVMWOCM-UHFFFAOYSA-N 1 3 362.380 2.943 20 0 FFADHO CCc1cc2c(ncnc2N2CCN(CC3CC[NH+](C)CC3)CC2)s1 ZINC001157838405 1029673118 /nfs/dbraw/zinc/67/31/18/1029673118.db2.gz XCWBXBMVXWBSBW-UHFFFAOYSA-N 1 3 359.543 2.718 20 0 FFADHO CC(C)(C)c1cc2ncnc(N3CCC([N@@H+]4CC[C@H](N)C4)CC3)c2s1 ZINC001158258682 1029774952 /nfs/dbraw/zinc/77/49/52/1029774952.db2.gz GLWPCMVTNDVWRS-ZDUSSCGKSA-N 1 3 359.543 2.991 20 0 FFADHO CC(C)(C)c1cc2ncnc(N3CCC([N@H+]4CC[C@H](N)C4)CC3)c2s1 ZINC001158258682 1029774956 /nfs/dbraw/zinc/77/49/56/1029774956.db2.gz GLWPCMVTNDVWRS-ZDUSSCGKSA-N 1 3 359.543 2.991 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3nc(Cl)ncc3-c3ccccc3)CC2)C1 ZINC001158260966 1029775883 /nfs/dbraw/zinc/77/58/83/1029775883.db2.gz IUZVQXFZPZJDOL-HNNXBMFYSA-N 1 3 357.889 2.799 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3nc(Cl)ncc3-c3ccccc3)CC2)C1 ZINC001158260966 1029775886 /nfs/dbraw/zinc/77/58/86/1029775886.db2.gz IUZVQXFZPZJDOL-HNNXBMFYSA-N 1 3 357.889 2.799 20 0 FFADHO O=C(c1csc2c1CCNC2)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158263042 1029778318 /nfs/dbraw/zinc/77/83/18/1029778318.db2.gz YZOJFZCAASYTCP-AWEZNQCLSA-N 1 3 373.444 2.683 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987223 1029837668 /nfs/dbraw/zinc/83/76/68/1029837668.db2.gz STHCUXYOXHIJEN-BJLQDIEVSA-N 1 3 353.526 2.971 20 0 FFADHO CN1CCN(Cc2cccc(Nc3ccccc3O[C@H]3CC[NH2+]C3)c2)CC1 ZINC001165213738 1029901982 /nfs/dbraw/zinc/90/19/82/1029901982.db2.gz ZJVGHLVHCDTQBN-FQEVSTJZSA-N 1 3 366.509 2.918 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC(CC[NH2+]C)CC3)cc2)CC1 ZINC000841018626 1029980463 /nfs/dbraw/zinc/98/04/63/1029980463.db2.gz YTXMSZAXOBUJIR-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])cc2)CC1 ZINC000841017174 1029980899 /nfs/dbraw/zinc/98/08/99/1029980899.db2.gz AYPCIYOAKUYJHZ-QFBILLFUSA-N 1 3 359.518 2.562 20 0 FFADHO [NH3+]CCc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000841031969 1029989685 /nfs/dbraw/zinc/98/96/85/1029989685.db2.gz FAKZGOLAGIAZTA-UHFFFAOYSA-N 1 3 364.449 2.639 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCCF)C1 ZINC001112166113 1030130864 /nfs/dbraw/zinc/13/08/64/1030130864.db2.gz FDYLJPDWUJQQAH-RBSFLKMASA-N 1 3 367.431 2.589 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001112171608 1030141691 /nfs/dbraw/zinc/14/16/91/1030141691.db2.gz QMTNOVUBDQQVJW-HUUCEWRRSA-N 1 3 358.408 2.511 20 0 FFADHO C[C@@H](CNC(=O)Nc1cccc(OCC[NH3+])c1)N(C)Cc1ccccc1 ZINC000841287003 1030159517 /nfs/dbraw/zinc/15/95/17/1030159517.db2.gz ITUQWPOKIMJMNE-INIZCTEOSA-N 1 3 356.470 2.666 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841290648 1030164391 /nfs/dbraw/zinc/16/43/91/1030164391.db2.gz IRUJPMUSZNSXEQ-UHFFFAOYSA-N 1 3 374.460 2.759 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000841931057 1030551286 /nfs/dbraw/zinc/55/12/86/1030551286.db2.gz PAUSFLVFSXDAHY-UHFFFAOYSA-N 1 3 368.525 2.770 20 0 FFADHO CCSc1ccccc1C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001276413386 1030772983 /nfs/dbraw/zinc/77/29/83/1030772983.db2.gz ZMCBGQVLTGXBTE-FQEVSTJZSA-N 1 3 361.555 2.785 20 0 FFADHO CCSc1ccccc1C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001276413386 1030772999 /nfs/dbraw/zinc/77/29/99/1030772999.db2.gz ZMCBGQVLTGXBTE-FQEVSTJZSA-N 1 3 361.555 2.785 20 0 FFADHO CN1CCN(Cc2cccc(Nc3cnn(C4CC[NH+](C)CC4)c3)c2)CC1 ZINC001204502958 1031323028 /nfs/dbraw/zinc/32/30/28/1031323028.db2.gz MKEUBMLVJZRIEG-UHFFFAOYSA-N 1 3 368.529 2.641 20 0 FFADHO Cc1cc(NC(=O)CN(C)C2CCC([NH3+])CC2)n(-c2ccc(C)cc2)n1 ZINC000843354072 1031347233 /nfs/dbraw/zinc/34/72/33/1031347233.db2.gz VYTGWAAAHGMHAH-UHFFFAOYSA-N 1 3 355.486 2.629 20 0 FFADHO C[C@@]1(C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)CCN(Cc2ccccc2)C1 ZINC000798395520 1031389661 /nfs/dbraw/zinc/38/96/61/1031389661.db2.gz FEHVWXLAOFQYMG-UNMCSNQZSA-N 1 3 369.484 2.724 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCF)C1)N(C)C ZINC001205434230 1031741403 /nfs/dbraw/zinc/74/14/03/1031741403.db2.gz BJRCYHCMKRDNFW-IPMKNSEASA-N 1 3 367.484 2.656 20 0 FFADHO c1c([C@@H]2CNCCO2)cn2c1cccc2-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205574605 1031844286 /nfs/dbraw/zinc/84/42/86/1031844286.db2.gz LOSRHPXPUSUYBZ-QFIPXVFZSA-N 1 3 362.477 2.677 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1 ZINC001205639549 1031897612 /nfs/dbraw/zinc/89/76/12/1031897612.db2.gz ZWIJSTKEHUFREH-LNMOPNHASA-N 1 3 352.425 2.958 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCF)C1)N(C)C ZINC001205649591 1031906377 /nfs/dbraw/zinc/90/63/77/1031906377.db2.gz ZHXWVHSEDHZWLO-QXAKKESOSA-N 1 3 367.484 2.656 20 0 FFADHO Cc1cccnc1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001205787470 1031993067 /nfs/dbraw/zinc/99/30/67/1031993067.db2.gz UKSNGVOIEUHOKD-CEMLEFRQSA-N 1 3 373.541 2.870 20 0 FFADHO C[NH+](C)C1(CC(=O)N2CC[C@H]3CCN(Cc4cccnc4)[C@H]3C2)CCCC1 ZINC001223200663 1033333840 /nfs/dbraw/zinc/33/38/40/1033333840.db2.gz PCYMFHPCASFHPX-UXHICEINSA-N 1 3 370.541 2.769 20 0 FFADHO CC(C)[NH2+]CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218844058 1033369545 /nfs/dbraw/zinc/36/95/45/1033369545.db2.gz LKIKLHMIZCPWNU-UHFFFAOYSA-N 1 3 366.509 2.945 20 0 FFADHO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218843473 1033369691 /nfs/dbraw/zinc/36/96/91/1033369691.db2.gz AKWRGXSDCCSLHX-OAQYLSRUSA-N 1 3 366.509 2.931 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001223453797 1033450373 /nfs/dbraw/zinc/45/03/73/1033450373.db2.gz MNMWBIWKIRXMOW-FPOVZHCZSA-N 1 3 372.557 2.866 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001223453797 1033450382 /nfs/dbraw/zinc/45/03/82/1033450382.db2.gz MNMWBIWKIRXMOW-FPOVZHCZSA-N 1 3 372.557 2.866 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001219029851 1033477521 /nfs/dbraw/zinc/47/75/21/1033477521.db2.gz QJXSAURLEDRDQT-VQIMIIECSA-N 1 3 351.450 2.848 20 0 FFADHO CC1(C)CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC001223527791 1033480841 /nfs/dbraw/zinc/48/08/41/1033480841.db2.gz ISHHDCQYPDPLJL-GOSISDBHSA-N 1 3 358.530 2.823 20 0 FFADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)C[C@@H]3Cc4ccccc4CN3)cc2)C1 ZINC001219233526 1033565792 /nfs/dbraw/zinc/56/57/92/1033565792.db2.gz QEHIHOVRMADKCZ-QUCCMNQESA-N 1 3 364.493 2.657 20 0 FFADHO [NH3+]C1CCN(c2cccc(F)c2NC(=O)c2cc3c(s2)CNCC3)CC1 ZINC001219295794 1033588938 /nfs/dbraw/zinc/58/89/38/1033588938.db2.gz AFQSCBKHYNMXIJ-UHFFFAOYSA-N 1 3 374.485 2.713 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 ZINC001219513707 1033671974 /nfs/dbraw/zinc/67/19/74/1033671974.db2.gz ALNORNRWJSIDAA-KRWDZBQOSA-N 1 3 366.469 2.623 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)C1 ZINC001219642747 1033729101 /nfs/dbraw/zinc/72/91/01/1033729101.db2.gz XGGUNUKTLPGUPL-YRISNDGFSA-N 1 3 351.494 2.585 20 0 FFADHO O=C(NCCN1CCC(Cc2ccccc2)CC1)C1CCC2(C[NH2+]C2)CC1 ZINC001219668931 1033740258 /nfs/dbraw/zinc/74/02/58/1033740258.db2.gz FNJMUSUGPNGEKL-UHFFFAOYSA-N 1 3 369.553 2.837 20 0 FFADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773477 1033808131 /nfs/dbraw/zinc/80/81/31/1033808131.db2.gz UHNHHOKZWZHPLW-OAQYLSRUSA-N 1 3 363.505 2.872 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC001220258073 1034077714 /nfs/dbraw/zinc/07/77/14/1034077714.db2.gz CBBSJMPSXIQYII-KRWDZBQOSA-N 1 3 351.922 2.983 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)C[C@@H](N)c2cccc(OC)c2)cc1 ZINC001220905575 1034450718 /nfs/dbraw/zinc/45/07/18/1034450718.db2.gz ZAJWTCKBBLNUJD-HXUWFJFHSA-N 1 3 355.482 2.635 20 0 FFADHO O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1CCCN1CC1CC1 ZINC001221034922 1034514502 /nfs/dbraw/zinc/51/45/02/1034514502.db2.gz URERQYHXUWXLKY-PMACEKPBSA-N 1 3 359.489 2.857 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccc(Oc2ccccn2)cc1 ZINC001221082323 1034539686 /nfs/dbraw/zinc/53/96/86/1034539686.db2.gz PHCNOLJEGOIPFE-SFHVURJKSA-N 1 3 356.470 2.549 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226162248 1034553382 /nfs/dbraw/zinc/55/33/82/1034553382.db2.gz YNNDHHDGHXBDBQ-GUDVDZBRSA-N 1 3 353.551 2.549 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001226170259 1034556925 /nfs/dbraw/zinc/55/69/25/1034556925.db2.gz GWYFHFOMBRJHNG-AQNXPRMDSA-N 1 3 367.578 2.939 20 0 FFADHO Cc1cccc(Cl)c1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001138721107 1034586927 /nfs/dbraw/zinc/58/69/27/1034586927.db2.gz KEUYXUZWIIXHQH-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO Cc1cccc(Cl)c1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001138721107 1034586938 /nfs/dbraw/zinc/58/69/38/1034586938.db2.gz KEUYXUZWIIXHQH-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO COc1ccc(O[C@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)nc1 ZINC001138773974 1034643941 /nfs/dbraw/zinc/64/39/41/1034643941.db2.gz VLLFQOUQOUEQCC-FQEVSTJZSA-N 1 3 371.481 2.684 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(COC)cc1)N(C)C ZINC001227057117 1034922210 /nfs/dbraw/zinc/92/22/10/1034922210.db2.gz NMZSFBSJEXNNMA-VAMGGRTRSA-N 1 3 361.530 2.690 20 0 FFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(Cc4ccc5cc[nH]c5c4)C[C@H]32)CC1 ZINC001221772979 1035056999 /nfs/dbraw/zinc/05/69/99/1035056999.db2.gz UATJBEYFEBMBPC-UYAOXDASSA-N 1 3 366.509 2.542 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001221794815 1035075621 /nfs/dbraw/zinc/07/56/21/1035075621.db2.gz XYOUKDVIIZVOOL-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001221794815 1035075628 /nfs/dbraw/zinc/07/56/28/1035075628.db2.gz XYOUKDVIIZVOOL-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)[NH+](CC)CC ZINC001221812065 1035086889 /nfs/dbraw/zinc/08/68/89/1035086889.db2.gz XENBMZUHJPZBGQ-BRWVUGGUSA-N 1 3 357.489 2.685 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21)[NH+]1CCCCCC1 ZINC001221848631 1035112357 /nfs/dbraw/zinc/11/23/57/1035112357.db2.gz YGOSXVZGDRVOCX-GUDVDZBRSA-N 1 3 353.526 2.923 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21)N1CCCCCC1 ZINC001221848631 1035112361 /nfs/dbraw/zinc/11/23/61/1035112361.db2.gz YGOSXVZGDRVOCX-GUDVDZBRSA-N 1 3 353.526 2.923 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21)N1CCCCCC1 ZINC001221848631 1035112363 /nfs/dbraw/zinc/11/23/63/1035112363.db2.gz YGOSXVZGDRVOCX-GUDVDZBRSA-N 1 3 353.526 2.923 20 0 FFADHO CCN1C[C@@H](N[C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)CC1=O ZINC000834888935 1035469834 /nfs/dbraw/zinc/46/98/34/1035469834.db2.gz DBACRKJJNYCGKT-APWZRJJASA-N 1 3 359.514 2.953 20 0 FFADHO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CCN(C)CC3)nc2)cn1 ZINC001232362160 1035623350 /nfs/dbraw/zinc/62/33/50/1035623350.db2.gz LZGSLIDLXFHLSB-HXUWFJFHSA-N 1 3 351.498 2.874 20 0 FFADHO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCN(C)CC3)nc2)cn1 ZINC001232362160 1035623357 /nfs/dbraw/zinc/62/33/57/1035623357.db2.gz LZGSLIDLXFHLSB-HXUWFJFHSA-N 1 3 351.498 2.874 20 0 FFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1O ZINC001140578030 1035658738 /nfs/dbraw/zinc/65/87/38/1035658738.db2.gz UZIUMWDYSZCBHI-WOJBJXKFSA-N 1 3 371.525 2.608 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001228424620 1036105065 /nfs/dbraw/zinc/10/50/65/1036105065.db2.gz VCELDPKEPHKIOK-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001228424620 1036105073 /nfs/dbraw/zinc/10/50/73/1036105073.db2.gz VCELDPKEPHKIOK-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H](CNC(=O)NCCNC(c1ccccc1)c1ccccc1)[NH+](C)C ZINC001228478719 1036135353 /nfs/dbraw/zinc/13/53/53/1036135353.db2.gz GEOQSVBCNXPIHR-KRWDZBQOSA-N 1 3 354.498 2.615 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1)[NH+](CC)CC ZINC001228559675 1036180038 /nfs/dbraw/zinc/18/00/38/1036180038.db2.gz XGFUGSXXEOVZAQ-GUDVDZBRSA-N 1 3 364.509 2.858 20 0 FFADHO Cc1cc(Cl)cc(CN2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)c1 ZINC001277371341 1036589615 /nfs/dbraw/zinc/58/96/15/1036589615.db2.gz YFDXJDVJLQBJRH-GOSISDBHSA-N 1 3 363.933 2.928 20 0 FFADHO COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)c1[O-] ZINC001233400676 1036601183 /nfs/dbraw/zinc/60/11/83/1036601183.db2.gz SSFDCOKTBSCFGL-UHFFFAOYSA-N 1 3 357.926 2.760 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC ZINC001229615645 1036778364 /nfs/dbraw/zinc/77/83/64/1036778364.db2.gz PVWMNOOXJRAMEH-GUDVDZBRSA-N 1 3 353.551 2.695 20 0 FFADHO Cc1ccncc1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001141035374 1036798769 /nfs/dbraw/zinc/79/87/69/1036798769.db2.gz APYMAPLWFIJHIE-UHFFFAOYSA-N 1 3 366.509 2.900 20 0 FFADHO c1cc2c(cc1CN1CCC(COCC[NH+]3CCCC3)CC1)OCCO2 ZINC001141036539 1036814292 /nfs/dbraw/zinc/81/42/92/1036814292.db2.gz LGUVIPLFLQRRQV-UHFFFAOYSA-N 1 3 360.498 2.782 20 0 FFADHO CCn1ccnc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001207141014 1037185098 /nfs/dbraw/zinc/18/50/98/1037185098.db2.gz GRYFXEWSPBXRLK-IBGZPJMESA-N 1 3 369.513 2.554 20 0 FFADHO CCn1ccnc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001207141014 1037185106 /nfs/dbraw/zinc/18/51/06/1037185106.db2.gz GRYFXEWSPBXRLK-IBGZPJMESA-N 1 3 369.513 2.554 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1F ZINC001230275016 1037190123 /nfs/dbraw/zinc/19/01/23/1037190123.db2.gz YOKSHENMIDJRTI-QZTJIDSGSA-N 1 3 365.493 2.562 20 0 FFADHO CCOC(=O)c1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)c[nH]1 ZINC001234921813 1037240894 /nfs/dbraw/zinc/24/08/94/1037240894.db2.gz ARAPNZWSXZLFOV-UHFFFAOYSA-N 1 3 363.502 2.516 20 0 FFADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001230464669 1037285861 /nfs/dbraw/zinc/28/58/61/1037285861.db2.gz IVRYNDBTKKOTIN-PMACEKPBSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001230464669 1037285875 /nfs/dbraw/zinc/28/58/75/1037285875.db2.gz IVRYNDBTKKOTIN-PMACEKPBSA-N 1 3 362.562 2.911 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001207261808 1037294986 /nfs/dbraw/zinc/29/49/86/1037294986.db2.gz AMFYSBSJVSRNGN-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001207261808 1037294990 /nfs/dbraw/zinc/29/49/90/1037294990.db2.gz AMFYSBSJVSRNGN-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO C(OCC1CC1)c1nn(CC2CC2)c2c1CN(CC1CC[NH2+]CC1)CC2 ZINC001207435166 1037438291 /nfs/dbraw/zinc/43/82/91/1037438291.db2.gz IYCOAZAVAKNAEQ-UHFFFAOYSA-N 1 3 358.530 2.577 20 0 FFADHO Cc1nnn(-c2ccc(F)cc2)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429656 1037546732 /nfs/dbraw/zinc/54/67/32/1037546732.db2.gz BYSGUWXBASLQEF-IAGOWNOFSA-N 1 3 357.477 2.926 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccc5c(c4)C[NH2+]C5)CCN3C2)c1 ZINC001235598083 1037636526 /nfs/dbraw/zinc/63/65/26/1037636526.db2.gz RVSRNACKROUKTM-RBBKRZOGSA-N 1 3 367.468 2.766 20 0 FFADHO c1c(CN2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001235611454 1037644404 /nfs/dbraw/zinc/64/44/04/1037644404.db2.gz XOYNHXKZGVECGY-IEBWSBKVSA-N 1 3 369.534 2.731 20 0 FFADHO c1c(CN2CCN3C[C@@H](Oc4ccccc4)C[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001235611453 1037645355 /nfs/dbraw/zinc/64/53/55/1037645355.db2.gz XOYNHXKZGVECGY-HKUYNNGSSA-N 1 3 369.534 2.731 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CN2CCC1CC2)CC(F)(F)F ZINC001207723362 1037678204 /nfs/dbraw/zinc/67/82/04/1037678204.db2.gz HYZMCRMZMSRCFY-KBPBESRZSA-N 1 3 365.440 2.764 20 0 FFADHO FC(F)(F)c1ccc(O[C@@H]2CCC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235688898 1037685138 /nfs/dbraw/zinc/68/51/38/1037685138.db2.gz VAWXZXAGIHUXMP-DLBZAZTESA-N 1 3 358.404 2.927 20 0 FFADHO FC(F)(F)c1ccc(O[C@@H]2CCC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235688898 1037685144 /nfs/dbraw/zinc/68/51/44/1037685144.db2.gz VAWXZXAGIHUXMP-DLBZAZTESA-N 1 3 358.404 2.927 20 0 FFADHO CN(C)C(=O)C1CCN(C2CC[NH+](CC3(c4ccccc4)CC3)CC2)CC1 ZINC001207837339 1037776793 /nfs/dbraw/zinc/77/67/93/1037776793.db2.gz HQEBELJMQRZREF-UHFFFAOYSA-N 1 3 369.553 2.983 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc2occ(Br)c2c1 ZINC001236082006 1037923774 /nfs/dbraw/zinc/92/37/74/1037923774.db2.gz VDNFTININJTSFU-UHFFFAOYSA-N 1 3 352.276 2.532 20 0 FFADHO Ic1csc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320568 1038043092 /nfs/dbraw/zinc/04/30/92/1038043092.db2.gz QNJZVGXIUIDXSV-PHIMTYICSA-N 1 3 362.280 2.784 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400488 1038072613 /nfs/dbraw/zinc/07/26/13/1038072613.db2.gz DGDYPZICTUXWFJ-RDTXWAMCSA-N 1 3 355.448 2.871 20 0 FFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C)n1 ZINC001231997742 1038098026 /nfs/dbraw/zinc/09/80/26/1038098026.db2.gz GFXUJPCHYICKTB-NHCUHLMSSA-N 1 3 370.541 2.606 20 0 FFADHO C[C@@H]1CN(CCOCC2CCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208164540 1038106555 /nfs/dbraw/zinc/10/65/55/1038106555.db2.gz SMSSSDKTDFFGEA-IEBWSBKVSA-N 1 3 365.562 2.504 20 0 FFADHO COc1ccc(O[C@@H]2CCCN(Cc3cc4c(s3)C[NH2+]CC4)C2)nc1 ZINC001236624342 1038159237 /nfs/dbraw/zinc/15/92/37/1038159237.db2.gz YWQQYYDJLTUZGO-MRXNPFEDSA-N 1 3 359.495 2.841 20 0 FFADHO CCC1=NC2(CCN(Cc3cc(F)cc(C[NH+](C)C)c3)CC2)C(=O)N1C ZINC001232148520 1038198264 /nfs/dbraw/zinc/19/82/64/1038198264.db2.gz DEJCCSDPMQMWDC-UHFFFAOYSA-N 1 3 360.477 2.502 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC001255935023 1038262773 /nfs/dbraw/zinc/26/27/73/1038262773.db2.gz CVJHXWQSJGVLLN-LJQANCHMSA-N 1 3 373.541 2.838 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001208401920 1038285296 /nfs/dbraw/zinc/28/52/96/1038285296.db2.gz KREMUOXACZEDIX-RLLQIKCJSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001208401920 1038285302 /nfs/dbraw/zinc/28/53/02/1038285302.db2.gz KREMUOXACZEDIX-RLLQIKCJSA-N 1 3 365.562 2.645 20 0 FFADHO CCCN(CCC[NH+](C)C)C(CCC(=O)OCC)CCC(=O)OCC ZINC001256008737 1038311463 /nfs/dbraw/zinc/31/14/63/1038311463.db2.gz LTPBWMLNFXMQTR-UHFFFAOYSA-N 1 3 358.523 2.705 20 0 FFADHO CC[NH+]1CCC(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001208598393 1038437253 /nfs/dbraw/zinc/43/72/53/1038437253.db2.gz AEPRSPRCFVFEPE-FPOVZHCZSA-N 1 3 361.505 2.695 20 0 FFADHO CCOC(=O)c1ccc(N2CCN(CC3CC[NH+](CC)CC3)CC2)cc1 ZINC001208600965 1038438922 /nfs/dbraw/zinc/43/89/22/1038438922.db2.gz ICYFZUZQHJNAPG-UHFFFAOYSA-N 1 3 359.514 2.717 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C1 ZINC001208608188 1038441692 /nfs/dbraw/zinc/44/16/92/1038441692.db2.gz RIIATOBDEJUYBP-SQGPQFPESA-N 1 3 369.525 2.999 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C1 ZINC001208608188 1038441694 /nfs/dbraw/zinc/44/16/94/1038441694.db2.gz RIIATOBDEJUYBP-SQGPQFPESA-N 1 3 369.525 2.999 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)C1 ZINC001208611060 1038446084 /nfs/dbraw/zinc/44/60/84/1038446084.db2.gz UCWDWUFIOPFMII-SESVDKBCSA-N 1 3 359.514 2.564 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)C1 ZINC001208611060 1038446088 /nfs/dbraw/zinc/44/60/88/1038446088.db2.gz UCWDWUFIOPFMII-SESVDKBCSA-N 1 3 359.514 2.564 20 0 FFADHO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256679607 1038599644 /nfs/dbraw/zinc/59/96/44/1038599644.db2.gz OLPGGZKMIZYKHF-ZPDIIGBJSA-N 1 3 369.553 2.740 20 0 FFADHO COc1ccc(CN2CC[C@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)cc1 ZINC001256680955 1038600844 /nfs/dbraw/zinc/60/08/44/1038600844.db2.gz GGDKUCHIOOTIHZ-KBWCOIMZSA-N 1 3 373.541 2.503 20 0 FFADHO COc1ccccc1C1([NH2+]C2CCC(N3CCOCC3)CC2)CCOCC1 ZINC001256687040 1038602946 /nfs/dbraw/zinc/60/29/46/1038602946.db2.gz KSHVXJPRHAWJPL-UHFFFAOYSA-N 1 3 374.525 2.934 20 0 FFADHO OC[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC001256688411 1038604030 /nfs/dbraw/zinc/60/40/30/1038604030.db2.gz YGFFUOSHTJOQAU-IVMQYODDSA-N 1 3 352.906 2.649 20 0 FFADHO CCOC(=O)CC[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001209033701 1038642054 /nfs/dbraw/zinc/64/20/54/1038642054.db2.gz QFERNZZJNMRRCC-INIZCTEOSA-N 1 3 366.527 2.757 20 0 FFADHO C[NH+](C)CCCN1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209357495 1038776653 /nfs/dbraw/zinc/77/66/53/1038776653.db2.gz GKXADWCYYJZKHH-UHFFFAOYSA-N 1 3 370.582 2.641 20 0 FFADHO Cc1n[nH]cc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209552135 1038979997 /nfs/dbraw/zinc/97/99/97/1038979997.db2.gz CXQIQORRNVDDDD-HXUWFJFHSA-N 1 3 354.498 2.974 20 0 FFADHO Cc1n[nH]cc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209552135 1038980003 /nfs/dbraw/zinc/98/00/03/1038980003.db2.gz CXQIQORRNVDDDD-HXUWFJFHSA-N 1 3 354.498 2.974 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1OCC ZINC001279046716 1038980449 /nfs/dbraw/zinc/98/04/49/1038980449.db2.gz UBZIPWDLPRGANQ-OALUTQOASA-N 1 3 361.530 2.694 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)cc1OCC ZINC001279046716 1038980465 /nfs/dbraw/zinc/98/04/65/1038980465.db2.gz UBZIPWDLPRGANQ-OALUTQOASA-N 1 3 361.530 2.694 20 0 FFADHO NC1(C[NH2+]C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CCCC1 ZINC001245973190 1039170937 /nfs/dbraw/zinc/17/09/37/1039170937.db2.gz GVZNRHSFFBQVAU-HNNXBMFYSA-N 1 3 353.466 2.922 20 0 FFADHO O[C@H](CNC[C@@H]1CCC[NH2+]C1)COc1cccc2[nH]c3ccccc3c21 ZINC001245984101 1039176514 /nfs/dbraw/zinc/17/65/14/1039176514.db2.gz VCBIJZXCNUCFHV-HZPDHXFCSA-N 1 3 353.466 2.650 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246017322 1039193467 /nfs/dbraw/zinc/19/34/67/1039193467.db2.gz AGENZPXBCYIBHA-WIYYLYMNSA-N 1 3 362.514 2.705 20 0 FFADHO [NH3+][C@@H]1CCN(C[C@@H](O)COCc2c(Cl)cccc2Cl)CC[C@@H]1F ZINC001246027181 1039199200 /nfs/dbraw/zinc/19/92/00/1039199200.db2.gz GFTIDHOJNIPURO-XFBWCDHKSA-N 1 3 365.276 2.632 20 0 FFADHO C[NH2+]CCCN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246114581 1039246500 /nfs/dbraw/zinc/24/65/00/1039246500.db2.gz QBVMDFUVSYRZFT-OWCLPIDISA-N 1 3 370.534 2.654 20 0 FFADHO C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246144909 1039255939 /nfs/dbraw/zinc/25/59/39/1039255939.db2.gz BXBWXGPPSLMMGW-MKVSYHDVSA-N 1 3 353.304 2.594 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001279084414 1039280845 /nfs/dbraw/zinc/28/08/45/1039280845.db2.gz NGNQJPARBSLKBM-UHFFFAOYSA-N 1 3 361.578 2.714 20 0 FFADHO CCOC(=O)C1=C(NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCNC1 ZINC001246285308 1039297678 /nfs/dbraw/zinc/29/76/78/1039297678.db2.gz RHWYVYGXPMMUDN-IRXDYDNUSA-N 1 3 371.525 2.828 20 0 FFADHO C[C@@H]([NH3+])CCN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246304259 1039305632 /nfs/dbraw/zinc/30/56/32/1039305632.db2.gz KUIRVZOIUOKBHL-KLHDSHLOSA-N 1 3 370.534 2.782 20 0 FFADHO CCCOc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001210040373 1039346050 /nfs/dbraw/zinc/34/60/50/1039346050.db2.gz FXSIBQVTIVXIKC-YLJYHZDGSA-N 1 3 361.530 2.754 20 0 FFADHO CCCOc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001210040373 1039346055 /nfs/dbraw/zinc/34/60/55/1039346055.db2.gz FXSIBQVTIVXIKC-YLJYHZDGSA-N 1 3 361.530 2.754 20 0 FFADHO CCCCC[C@H](CC)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001258441686 1039373736 /nfs/dbraw/zinc/37/37/36/1039373736.db2.gz PKJZNDRVUHTHLZ-IBGZPJMESA-N 1 3 366.594 2.516 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC001246557988 1039396845 /nfs/dbraw/zinc/39/68/45/1039396845.db2.gz NIJLYSBEXOXJLP-FUHWJXTLSA-N 1 3 361.530 2.727 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC2(CC1)CNCCO2 ZINC001246606454 1039412712 /nfs/dbraw/zinc/41/27/12/1039412712.db2.gz YLTNVSCULWQBTI-AWEZNQCLSA-N 1 3 358.404 2.971 20 0 FFADHO COCCC1([NH3+])CCN([C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001258553471 1039427896 /nfs/dbraw/zinc/42/78/96/1039427896.db2.gz MMHUYDCUQHWKCX-INIZCTEOSA-N 1 3 369.550 2.994 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)[C@@H]2CC[C@@H](C)[NH2+]C2)c2c1CNCC2 ZINC001246705232 1039443621 /nfs/dbraw/zinc/44/36/21/1039443621.db2.gz OIVVOGFUGOPMLB-HUUCEWRRSA-N 1 3 374.558 2.713 20 0 FFADHO c1ccc(COC[C@]23CCCO[C@@H]2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)nc1 ZINC001246771622 1039472980 /nfs/dbraw/zinc/47/29/80/1039472980.db2.gz WYMWNCDCPCJMKU-XXVUOIQKSA-N 1 3 371.525 2.752 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CC1 ZINC001258774284 1039510093 /nfs/dbraw/zinc/51/00/93/1039510093.db2.gz YZOKJGBPELUREJ-UHFFFAOYSA-N 1 3 370.541 2.771 20 0 FFADHO O=C(Cc1ccccc1)N1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246876986 1039514568 /nfs/dbraw/zinc/51/45/68/1039514568.db2.gz SQYKSCJRWNYGNX-UHFFFAOYSA-N 1 3 355.526 2.686 20 0 FFADHO c1ccc(CN(C2CCC(N3CCOCC3)CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246919875 1039531756 /nfs/dbraw/zinc/53/17/56/1039531756.db2.gz HQPFCKRLQOOAKP-LZBANZJXSA-N 1 3 357.542 2.884 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(OC2CCOCC2)ncn1 ZINC001258905050 1039574187 /nfs/dbraw/zinc/57/41/87/1039574187.db2.gz TYDVNWBTCUNTQI-INIZCTEOSA-N 1 3 350.507 2.635 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(COC)cc2)C[C@H]1C ZINC001210486441 1039576205 /nfs/dbraw/zinc/57/62/05/1039576205.db2.gz VSMFWPUPEJBQQL-YLJYHZDGSA-N 1 3 361.530 2.501 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(COC)cc2)C[C@H]1C ZINC001210486441 1039576221 /nfs/dbraw/zinc/57/62/21/1039576221.db2.gz VSMFWPUPEJBQQL-YLJYHZDGSA-N 1 3 361.530 2.501 20 0 FFADHO COC(=O)c1cccc([C@@H]2CNCCN2[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001247017250 1039582444 /nfs/dbraw/zinc/58/24/44/1039582444.db2.gz SSAMBHRZCWXTHB-SFTDATJTSA-N 1 3 371.525 2.827 20 0 FFADHO COC(=O)c1cccc([C@@H]2CNCCN2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001247017250 1039582463 /nfs/dbraw/zinc/58/24/63/1039582463.db2.gz SSAMBHRZCWXTHB-SFTDATJTSA-N 1 3 371.525 2.827 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC001210497320 1039583887 /nfs/dbraw/zinc/58/38/87/1039583887.db2.gz CTUQAESULXXTCO-QLFBSQMISA-N 1 3 364.361 2.739 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC001210497320 1039583905 /nfs/dbraw/zinc/58/39/05/1039583905.db2.gz CTUQAESULXXTCO-QLFBSQMISA-N 1 3 364.361 2.739 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccc3c(c1)CCC3)CC2 ZINC001278480994 1039662629 /nfs/dbraw/zinc/66/26/29/1039662629.db2.gz UXJMOBKRQMBUMK-UHFFFAOYSA-N 1 3 355.526 2.551 20 0 FFADHO CCCC[C@@H](CC)COC[C@H](O)CNC1CC[NH+](CCCOC)CC1 ZINC001253022433 1039925727 /nfs/dbraw/zinc/92/57/27/1039925727.db2.gz OQJLGTJREAMDGS-UYAOXDASSA-N 1 3 358.567 2.671 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CSc2ccc(Br)cc2C1 ZINC001253217544 1040054082 /nfs/dbraw/zinc/05/40/82/1040054082.db2.gz YMQRKKLFTGLFCB-HUUCEWRRSA-N 1 3 373.360 2.758 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211374560 1040118568 /nfs/dbraw/zinc/11/85/68/1040118568.db2.gz IPLNZVKKSCDQMF-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211374560 1040118574 /nfs/dbraw/zinc/11/85/74/1040118574.db2.gz IPLNZVKKSCDQMF-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO O[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253354547 1040125719 /nfs/dbraw/zinc/12/57/19/1040125719.db2.gz UJWKLVGHYHINSB-LQWHRVPQSA-N 1 3 373.447 2.847 20 0 FFADHO O[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253354547 1040125728 /nfs/dbraw/zinc/12/57/28/1040125728.db2.gz UJWKLVGHYHINSB-LQWHRVPQSA-N 1 3 373.447 2.847 20 0 FFADHO [NH3+][C@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)Cc1ccccc1Cl ZINC001248167406 1040156138 /nfs/dbraw/zinc/15/61/38/1040156138.db2.gz CARXBZJBFYQMQW-AWEZNQCLSA-N 1 3 369.856 2.543 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC001253407377 1040157606 /nfs/dbraw/zinc/15/76/06/1040157606.db2.gz JKKMLEYSSSUOKV-HOTGVXAUSA-N 1 3 355.320 2.645 20 0 FFADHO C[NH+](C)CCCC[C@H](N)c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001248194080 1040166964 /nfs/dbraw/zinc/16/69/64/1040166964.db2.gz FKXHFHPXSZBSAD-OBHPCNEJSA-N 1 3 370.501 2.930 20 0 FFADHO C[NH+]1CCC2(CN(C[C@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC001253427622 1040174792 /nfs/dbraw/zinc/17/47/92/1040174792.db2.gz SKOZJAOBUSTLIC-IBGZPJMESA-N 1 3 374.525 2.529 20 0 FFADHO CC(C)(C)CN1CCC([NH2+]C[C@@](C)(O)C(=O)OCc2ccccc2)CC1 ZINC001253663006 1040302296 /nfs/dbraw/zinc/30/22/96/1040302296.db2.gz YMQFPXYHWRBGQM-OAQYLSRUSA-N 1 3 362.514 2.581 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322914 1040450555 /nfs/dbraw/zinc/45/05/55/1040450555.db2.gz VZRJAJRAYYAMQU-QHEKZVFSSA-N 1 3 365.562 2.670 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322914 1040450556 /nfs/dbraw/zinc/45/05/56/1040450556.db2.gz VZRJAJRAYYAMQU-QHEKZVFSSA-N 1 3 365.562 2.670 20 0 FFADHO COc1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c1 ZINC001253958783 1040474943 /nfs/dbraw/zinc/47/49/43/1040474943.db2.gz NYFDGKKEIFBLQC-OTWHNJEPSA-N 1 3 362.514 2.774 20 0 FFADHO COc1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c1 ZINC001253958783 1040474945 /nfs/dbraw/zinc/47/49/45/1040474945.db2.gz NYFDGKKEIFBLQC-OTWHNJEPSA-N 1 3 362.514 2.774 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001254024195 1040525227 /nfs/dbraw/zinc/52/52/27/1040525227.db2.gz UMYZAYHFUUIJFA-OKYOBFRVSA-N 1 3 362.514 2.818 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001254024195 1040525247 /nfs/dbraw/zinc/52/52/47/1040525247.db2.gz UMYZAYHFUUIJFA-OKYOBFRVSA-N 1 3 362.514 2.818 20 0 FFADHO OC1(C[N@@H+]2CC[C@@H](COCC3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040713 1040541857 /nfs/dbraw/zinc/54/18/57/1040541857.db2.gz WMSRYRMWYCDBRT-OAQYLSRUSA-N 1 3 358.526 2.762 20 0 FFADHO OC1(C[N@H+]2CC[C@@H](COCC3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040713 1040541875 /nfs/dbraw/zinc/54/18/75/1040541875.db2.gz WMSRYRMWYCDBRT-OAQYLSRUSA-N 1 3 358.526 2.762 20 0 FFADHO CN(C)c1cccc(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001278772887 1040652278 /nfs/dbraw/zinc/65/22/78/1040652278.db2.gz NMECSPUYIVWMMV-UHFFFAOYSA-N 1 3 353.514 2.964 20 0 FFADHO CN1CCC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)CC1 ZINC001254518381 1040765035 /nfs/dbraw/zinc/76/50/35/1040765035.db2.gz MJOBLJWFLNHYDQ-BHDDXSALSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)CC1 ZINC001254518381 1040765046 /nfs/dbraw/zinc/76/50/46/1040765046.db2.gz MJOBLJWFLNHYDQ-BHDDXSALSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001254520469 1040769765 /nfs/dbraw/zinc/76/97/65/1040769765.db2.gz DQIUKSYKGLRDQP-VUHPKUFZSA-N 1 3 365.543 2.623 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001254520469 1040769779 /nfs/dbraw/zinc/76/97/79/1040769779.db2.gz DQIUKSYKGLRDQP-VUHPKUFZSA-N 1 3 365.543 2.623 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001254522641 1040774203 /nfs/dbraw/zinc/77/42/03/1040774203.db2.gz PCUDQKLDMIOGBH-PLACYPQZSA-N 1 3 359.514 2.562 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001254522641 1040774217 /nfs/dbraw/zinc/77/42/17/1040774217.db2.gz PCUDQKLDMIOGBH-PLACYPQZSA-N 1 3 359.514 2.562 20 0 FFADHO Fc1ccc(N2CCC(N3CCN(CC[NH+]4CCCC4)CC3)CC2)cc1 ZINC001254629482 1040849841 /nfs/dbraw/zinc/84/98/41/1040849841.db2.gz FLUNHVZLQILVMA-UHFFFAOYSA-N 1 3 360.521 2.508 20 0 FFADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685725 1040880224 /nfs/dbraw/zinc/88/02/24/1040880224.db2.gz HZTXAVGBYAHZGT-GJZGRUSLSA-N 1 3 355.548 2.555 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCN[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685725 1040880239 /nfs/dbraw/zinc/88/02/39/1040880239.db2.gz HZTXAVGBYAHZGT-GJZGRUSLSA-N 1 3 355.548 2.555 20 0 FFADHO C[N@H+]1CCC[C@H]1CCN[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685725 1040880250 /nfs/dbraw/zinc/88/02/50/1040880250.db2.gz HZTXAVGBYAHZGT-GJZGRUSLSA-N 1 3 355.548 2.555 20 0 FFADHO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213931241 1041082990 /nfs/dbraw/zinc/08/29/90/1041082990.db2.gz GRDLLZRFQFMHPU-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213931241 1041083004 /nfs/dbraw/zinc/08/30/04/1041083004.db2.gz GRDLLZRFQFMHPU-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CCOc1ccccc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001278554806 1041133559 /nfs/dbraw/zinc/13/35/59/1041133559.db2.gz RLNLCGSJLMQTHZ-UHFFFAOYSA-N 1 3 354.498 2.880 20 0 FFADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC001250779267 1041360762 /nfs/dbraw/zinc/36/07/62/1041360762.db2.gz UXYHYBRUXCAGLC-FQEVSTJZSA-N 1 3 364.530 2.640 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)c2)nn1 ZINC001261903525 1041469080 /nfs/dbraw/zinc/46/90/80/1041469080.db2.gz BATYNSQMKPJAKX-QGZVFWFLSA-N 1 3 353.857 2.636 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001214904614 1041614818 /nfs/dbraw/zinc/61/48/18/1041614818.db2.gz AXNAEIPDKVACIT-KFWWJZLASA-N 1 3 351.457 2.742 20 0 FFADHO CN(C)Cc1ccc(-c2noc(-c3cccnc3O[C@@H]3CC[NH2+]C3)n2)cc1 ZINC001215011803 1041644660 /nfs/dbraw/zinc/64/46/60/1041644660.db2.gz DEDJLCMLMQPZFJ-MRXNPFEDSA-N 1 3 365.437 2.601 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCN(Cc4cccc(F)c4)C3=O)C[C@@H]2C1 ZINC001262483172 1041700367 /nfs/dbraw/zinc/70/03/67/1041700367.db2.gz XWBUSUGKCDLMGC-CMKODMSKSA-N 1 3 374.504 2.683 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)N(C)C)cc1 ZINC001262567450 1041726156 /nfs/dbraw/zinc/72/61/56/1041726156.db2.gz SPPMPKYQKTZWKD-JYJNAYRXSA-N 1 3 372.435 2.519 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1sccc1Cl ZINC001215415721 1041774490 /nfs/dbraw/zinc/77/44/90/1041774490.db2.gz JMKWZTKVAMYQDB-TZMCWYRMSA-N 1 3 355.935 2.680 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215541380 1041820547 /nfs/dbraw/zinc/82/05/47/1041820547.db2.gz ZXVVZVWGGJAYIL-IUDFFTLZSA-N 1 3 353.526 2.992 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001215973233 1041920931 /nfs/dbraw/zinc/92/09/31/1041920931.db2.gz YNRUHQBMNMGSSA-HSALFYBXSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccns2)C1 ZINC001215973222 1041921025 /nfs/dbraw/zinc/92/10/25/1041921025.db2.gz XZPTWKDMEBWFAY-SJLPKXTDSA-N 1 3 366.575 2.634 20 0 FFADHO O=C([C@@H]1[NH2+]CC12CCCC2)N1CCCN(CCCc2ccccc2)CC1 ZINC001263067328 1042081231 /nfs/dbraw/zinc/08/12/31/1042081231.db2.gz KHYJHDHABHLEPQ-FQEVSTJZSA-N 1 3 355.526 2.686 20 0 FFADHO c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc(C2CC[NH2+]CC2)c1 ZINC001216840645 1042141445 /nfs/dbraw/zinc/14/14/45/1042141445.db2.gz NSSILXGVZFVBNN-UHFFFAOYSA-N 1 3 361.449 2.911 20 0 FFADHO COc1cc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)ccc1Cl ZINC001216852150 1042144770 /nfs/dbraw/zinc/14/47/70/1042144770.db2.gz REZOZARZRKWURN-RHSMWYFYSA-N 1 3 367.921 2.625 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC001216854415 1042145715 /nfs/dbraw/zinc/14/57/15/1042145715.db2.gz YKVWJZWCVSXZEX-RHSMWYFYSA-N 1 3 371.447 2.982 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186116 1042156789 /nfs/dbraw/zinc/15/67/89/1042156789.db2.gz SPNDLGMSTFWWPU-QZTJIDSGSA-N 1 3 357.498 2.623 20 0 FFADHO CC(C)Oc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001263716353 1042448980 /nfs/dbraw/zinc/44/89/80/1042448980.db2.gz FSNNXWFUMQAMPD-YLJYHZDGSA-N 1 3 361.530 2.751 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1)N(C)C ZINC001263919937 1042532438 /nfs/dbraw/zinc/53/24/38/1042532438.db2.gz MFJYAIZHWQOGCV-XCRHUMRWSA-N 1 3 353.457 2.680 20 0 FFADHO CC(C)OCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001264142291 1042635355 /nfs/dbraw/zinc/63/53/55/1042635355.db2.gz WDVPQZGMDGXDAQ-HBFSDRIKSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)OCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001264142291 1042635356 /nfs/dbraw/zinc/63/53/56/1042635356.db2.gz WDVPQZGMDGXDAQ-HBFSDRIKSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)OCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001264142290 1042635374 /nfs/dbraw/zinc/63/53/74/1042635374.db2.gz WDVPQZGMDGXDAQ-GGPKGHCWSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)OCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001264142290 1042635376 /nfs/dbraw/zinc/63/53/76/1042635376.db2.gz WDVPQZGMDGXDAQ-GGPKGHCWSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001264658044 1042774996 /nfs/dbraw/zinc/77/49/96/1042774996.db2.gz AYBWFEOPEBDQIR-SVFBPWRDSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001264658044 1042774998 /nfs/dbraw/zinc/77/49/98/1042774998.db2.gz AYBWFEOPEBDQIR-SVFBPWRDSA-N 1 3 355.526 2.794 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001264658635 1042775445 /nfs/dbraw/zinc/77/54/45/1042775445.db2.gz UHOAOPBNUYJFOV-RTWAWAEBSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001264658635 1042775450 /nfs/dbraw/zinc/77/54/50/1042775450.db2.gz UHOAOPBNUYJFOV-RTWAWAEBSA-N 1 3 357.542 2.870 20 0 FFADHO COc1cccc(CN2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)c1C ZINC001264728987 1042809762 /nfs/dbraw/zinc/80/97/62/1042809762.db2.gz YLNMHYOLEDJBBV-MJGOQNOKSA-N 1 3 361.530 2.815 20 0 FFADHO CCN(C/C=C\Cl)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001265134362 1042844178 /nfs/dbraw/zinc/84/41/78/1042844178.db2.gz RQQHMRXOYYCFNN-FEEJDJEGSA-N 1 3 363.933 2.913 20 0 FFADHO CCN(C/C=C\Cl)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001265134362 1042844180 /nfs/dbraw/zinc/84/41/80/1042844180.db2.gz RQQHMRXOYYCFNN-FEEJDJEGSA-N 1 3 363.933 2.913 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2ccc(O)cc2)CC3)n(C)n1 ZINC001279184354 1042936327 /nfs/dbraw/zinc/93/63/27/1042936327.db2.gz UMRVRMKHZFYSJN-UHFFFAOYSA-N 1 3 354.498 2.922 20 0 FFADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc2cnccc21 ZINC001279228206 1042955591 /nfs/dbraw/zinc/95/55/91/1042955591.db2.gz OIVSVQLYJWUOMX-IHWFROFDSA-N 1 3 355.482 2.940 20 0 FFADHO C[NH+](C)CCN1CCC2(CN(Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001279349703 1043019763 /nfs/dbraw/zinc/01/97/63/1043019763.db2.gz YXFXMXNKCDOJSU-UHFFFAOYSA-N 1 3 356.539 2.879 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(-c2ccc(F)cc2)on1 ZINC001279405506 1043064019 /nfs/dbraw/zinc/06/40/19/1043064019.db2.gz SRWYVRPCZGVHMJ-OALUTQOASA-N 1 3 358.461 2.691 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(-c2ccc(F)cc2)on1 ZINC001279405506 1043064020 /nfs/dbraw/zinc/06/40/20/1043064020.db2.gz SRWYVRPCZGVHMJ-OALUTQOASA-N 1 3 358.461 2.691 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4ncccc4F)C[C@H]3CC2)n(C)n1 ZINC001279414168 1043078892 /nfs/dbraw/zinc/07/88/92/1043078892.db2.gz AYKKQHPYJRXVJP-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4ncccc4F)C[C@H]3CC2)n(C)n1 ZINC001279414168 1043078905 /nfs/dbraw/zinc/07/89/05/1043078905.db2.gz AYKKQHPYJRXVJP-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO CC(C)Cc1ccc(CN2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)cc1 ZINC001279417934 1043086848 /nfs/dbraw/zinc/08/68/48/1043086848.db2.gz RYWKQVKSXYGPES-WOJBJXKFSA-N 1 3 355.526 2.527 20 0 FFADHO CC(C)Cc1ccc(CN2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)cc1 ZINC001279417934 1043086861 /nfs/dbraw/zinc/08/68/61/1043086861.db2.gz RYWKQVKSXYGPES-WOJBJXKFSA-N 1 3 355.526 2.527 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cccn2Cc2ccccc2)CCC12C[NH2+]C2 ZINC001237428539 1043153393 /nfs/dbraw/zinc/15/33/93/1043153393.db2.gz AWZQKZPMQXVBCX-HXUWFJFHSA-N 1 3 367.493 2.511 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2c[nH]c3ccc(Cl)cc23)CCC12C[NH2+]C2 ZINC001237431004 1043156721 /nfs/dbraw/zinc/15/67/21/1043156721.db2.gz OXFVQIVZGIHPRP-INIZCTEOSA-N 1 3 361.873 2.796 20 0 FFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cc(F)c(F)cc3N)C2)C1 ZINC001279497189 1043187699 /nfs/dbraw/zinc/18/76/99/1043187699.db2.gz ADHXOCKDTAFBIT-HXUWFJFHSA-N 1 3 366.500 2.787 20 0 FFADHO Cc1ncccc1CN1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279571588 1043275276 /nfs/dbraw/zinc/27/52/76/1043275276.db2.gz RUBSYFYJDVYNCR-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1ncccc1CN1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279571588 1043275280 /nfs/dbraw/zinc/27/52/80/1043275280.db2.gz RUBSYFYJDVYNCR-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO CN(C)c1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)s1 ZINC001279579406 1043285386 /nfs/dbraw/zinc/28/53/86/1043285386.db2.gz DEYCEKQSKPGBFN-UHFFFAOYSA-N 1 3 359.543 2.609 20 0 FFADHO COc1ccc(CC[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001279636748 1043378608 /nfs/dbraw/zinc/37/86/08/1043378608.db2.gz SQWCXDZKTNZESH-BGYRXZFFSA-N 1 3 354.498 2.805 20 0 FFADHO COc1ccc(CC[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001279636748 1043378616 /nfs/dbraw/zinc/37/86/16/1043378616.db2.gz SQWCXDZKTNZESH-BGYRXZFFSA-N 1 3 354.498 2.805 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(-n4ccnc4)cc3Cl)[C@@H]2C1 ZINC001279656855 1043412546 /nfs/dbraw/zinc/41/25/46/1043412546.db2.gz BLZLMPOCVWVAMX-FXAWDEMLSA-N 1 3 373.932 2.593 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc(-n4ccnc4)cc3Cl)[C@@H]2C1 ZINC001279656855 1043412557 /nfs/dbraw/zinc/41/25/57/1043412557.db2.gz BLZLMPOCVWVAMX-FXAWDEMLSA-N 1 3 373.932 2.593 20 0 FFADHO CC(C)C1=NCCc2ccc(CN3CCN(CC[NH+]4CCCC4)CC3)cc21 ZINC001237888052 1043417505 /nfs/dbraw/zinc/41/75/05/1043417505.db2.gz ZHNADKDKSNMALI-UHFFFAOYSA-N 1 3 368.569 2.901 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(F)cnc3C)(C1)CCC2 ZINC001279678169 1043452946 /nfs/dbraw/zinc/45/29/46/1043452946.db2.gz UVBIOYKYMOQKBH-MOPGFXCFSA-N 1 3 351.466 2.674 20 0 FFADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc(C5CCC5)cc4)CC3)[C@@H]2C1 ZINC001279680429 1043456209 /nfs/dbraw/zinc/45/62/09/1043456209.db2.gz ZGEDTCVJKVXISL-WOJBJXKFSA-N 1 3 353.510 2.596 20 0 FFADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc(C5CCC5)cc4)CC3)[C@@H]2C1 ZINC001279680429 1043456219 /nfs/dbraw/zinc/45/62/19/1043456219.db2.gz ZGEDTCVJKVXISL-WOJBJXKFSA-N 1 3 353.510 2.596 20 0 FFADHO CN(C)c1ccc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)cn1 ZINC001279715266 1043515032 /nfs/dbraw/zinc/51/50/32/1043515032.db2.gz AVPGCZAIKCREPH-VQTJNVASSA-N 1 3 354.502 2.596 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@H]2CC23CCN(Cc2ccsc2)CC3)CC1 ZINC001279782885 1043636143 /nfs/dbraw/zinc/63/61/43/1043636143.db2.gz OFSBBDOLUGCNNF-GOSISDBHSA-N 1 3 361.555 2.903 20 0 FFADHO CCN(C(=O)C[C@@H]1C[C@@H]2C[N@H+](CCCN3CCCCC3)C[C@@H]2O1)C(C)C ZINC001279842215 1043758399 /nfs/dbraw/zinc/75/83/99/1043758399.db2.gz AHKLHIQSXZZACX-AABGKKOBSA-N 1 3 365.562 2.599 20 0 FFADHO CCN(C(=O)C[C@@H]1C[C@@H]2C[N@@H+](CCCN3CCCCC3)C[C@@H]2O1)C(C)C ZINC001279842215 1043758409 /nfs/dbraw/zinc/75/84/09/1043758409.db2.gz AHKLHIQSXZZACX-AABGKKOBSA-N 1 3 365.562 2.599 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CCN(CCC(F)(F)F)CC3)CC1 ZINC001279888818 1043854684 /nfs/dbraw/zinc/85/46/84/1043854684.db2.gz HWFXCAGBNZRGHM-HNNXBMFYSA-N 1 3 361.452 2.594 20 0 FFADHO Cc1ccc(CN[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)o1 ZINC001279938745 1043954458 /nfs/dbraw/zinc/95/44/58/1043954458.db2.gz VHYRJQVBCKBLIB-GIYDNNGJSA-N 1 3 359.514 2.645 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cc(Cl)cc(Cl)c1 ZINC001239216602 1044074238 /nfs/dbraw/zinc/07/42/38/1044074238.db2.gz ONSKUTBCYMZUAU-CYBMUJFWSA-N 1 3 357.285 2.989 20 0 FFADHO CC/C=C\CCN1CC2(C1)SCC[C@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001280028438 1044104477 /nfs/dbraw/zinc/10/44/77/1044104477.db2.gz LDPYEIZZIIRISF-GIFJBRJJSA-N 1 3 367.603 2.950 20 0 FFADHO CC/C=C\CCN1CC2(C1)SCC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001280029312 1044105938 /nfs/dbraw/zinc/10/59/38/1044105938.db2.gz XOVUHBDJWBWMQX-XFHJGTJQSA-N 1 3 365.587 2.703 20 0 FFADHO Cc1nc(CC[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C(C)C)cs1 ZINC001316708626 1044138950 /nfs/dbraw/zinc/13/89/50/1044138950.db2.gz OBFLOGPSBNBKFK-QAPCUYQASA-N 1 3 366.575 2.551 20 0 FFADHO CN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCN(C)C1 ZINC001312712644 1044159349 /nfs/dbraw/zinc/15/93/49/1044159349.db2.gz BTJNLQLPVNZQNP-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCN(C)C1 ZINC001312712644 1044159352 /nfs/dbraw/zinc/15/93/52/1044159352.db2.gz BTJNLQLPVNZQNP-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CN1CCN(Cc2ccc(-c3ccnc4[nH]cc(C[NH+](C)C)c43)cc2)CC1 ZINC001240408765 1044333549 /nfs/dbraw/zinc/33/35/49/1044333549.db2.gz UJSJDUHZERPQMD-UHFFFAOYSA-N 1 3 363.509 2.991 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](CCCn2cccc2)CC3)n(C)n1 ZINC001280271955 1044511109 /nfs/dbraw/zinc/51/11/09/1044511109.db2.gz XLGJQJGTGZOKPC-UHFFFAOYSA-N 1 3 355.530 2.908 20 0 FFADHO CCN1CCN(c2ccc(-c3nccc(C4CC[NH2+]CC4)n3)cc2)CC1 ZINC001241741071 1044582674 /nfs/dbraw/zinc/58/26/74/1044582674.db2.gz UUFSQKTXTFJRGM-UHFFFAOYSA-N 1 3 351.498 2.753 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001317552493 1045108979 /nfs/dbraw/zinc/10/89/79/1045108979.db2.gz WCNMSADWLIKPDX-AZUAARDMSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCc2ccccc2F)C2CC2)CC[N@H+]1C ZINC001317552493 1045108983 /nfs/dbraw/zinc/10/89/83/1045108983.db2.gz WCNMSADWLIKPDX-AZUAARDMSA-N 1 3 361.505 2.679 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccco1)C1CCN(C)CC1 ZINC001317759413 1045133645 /nfs/dbraw/zinc/13/36/45/1045133645.db2.gz RDZWBMLMYGNXDB-KRWDZBQOSA-N 1 3 364.559 2.535 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccco1)C1CCN(C)CC1 ZINC001317759413 1045133647 /nfs/dbraw/zinc/13/36/47/1045133647.db2.gz RDZWBMLMYGNXDB-KRWDZBQOSA-N 1 3 364.559 2.535 20 0 FFADHO CC(C)Oc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001282389951 1045585111 /nfs/dbraw/zinc/58/51/11/1045585111.db2.gz BZQXYLDOAWNDAV-MBOZVWFJSA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)Oc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001282389951 1045585126 /nfs/dbraw/zinc/58/51/26/1045585126.db2.gz BZQXYLDOAWNDAV-MBOZVWFJSA-N 1 3 361.530 2.751 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001321742756 1045781894 /nfs/dbraw/zinc/78/18/94/1045781894.db2.gz GYOCDRXZRPMQIY-OALUTQOASA-N 1 3 364.509 2.772 20 0 FFADHO CO[C@]1(C)C[C@@H](NCC2(C[NH2+][C@H]3C[C@@](C)(OC)C3(C)C)COC2)C1(C)C ZINC001324438789 1046032270 /nfs/dbraw/zinc/03/22/70/1046032270.db2.gz UEFXXXWOGQTCAD-WOUAJJJCSA-N 1 3 368.562 2.589 20 0 FFADHO CO[C@]1(C)C[C@@H]([NH2+]CC2(CN[C@H]3C[C@@](C)(OC)C3(C)C)COC2)C1(C)C ZINC001324438789 1046032279 /nfs/dbraw/zinc/03/22/79/1046032279.db2.gz UEFXXXWOGQTCAD-WOUAJJJCSA-N 1 3 368.562 2.589 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000652290601 1047866031 /nfs/dbraw/zinc/86/60/31/1047866031.db2.gz JJTNNWDWMORATH-LJQANCHMSA-N 1 3 358.461 2.647 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2C3CCC2(C[NH3+])CC3)N(C)C)cc1 ZINC001331391685 1047909705 /nfs/dbraw/zinc/90/97/05/1047909705.db2.gz DBUPWZJXOIPUJV-MOMVYJMYSA-N 1 3 374.529 2.742 20 0 FFADHO N[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC001332077129 1048236287 /nfs/dbraw/zinc/23/62/87/1048236287.db2.gz NDCUIWBIPCEOHC-WOJBJXKFSA-N 1 3 356.514 2.817 20 0 FFADHO N[C@@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC001332077129 1048236298 /nfs/dbraw/zinc/23/62/98/1048236298.db2.gz NDCUIWBIPCEOHC-WOJBJXKFSA-N 1 3 356.514 2.817 20 0 FFADHO CC(C)OCc1cccc(CNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001329498681 1048742405 /nfs/dbraw/zinc/74/24/05/1048742405.db2.gz GUIBYLMTFIBRTI-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc(Cl)n1 ZINC001333311618 1048827475 /nfs/dbraw/zinc/82/74/75/1048827475.db2.gz UJLWTKWUSQLMLA-YOEHRIQHSA-N 1 3 373.888 2.566 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc(Cl)n1 ZINC001333311604 1048827621 /nfs/dbraw/zinc/82/76/21/1048827621.db2.gz UJLWTKWUSQLMLA-RHSMWYFYSA-N 1 3 373.888 2.566 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC001333588737 1048992997 /nfs/dbraw/zinc/99/29/97/1048992997.db2.gz YKCLSXKRFMQLPJ-SQGPQFPESA-N 1 3 362.518 2.884 20 0 FFADHO N[C@@H](CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001333732145 1049087136 /nfs/dbraw/zinc/08/71/36/1049087136.db2.gz JOOHXQMVMDVMCO-SFTDATJTSA-N 1 3 364.493 3.000 20 0 FFADHO N[C@@H](CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001333732145 1049087145 /nfs/dbraw/zinc/08/71/45/1049087145.db2.gz JOOHXQMVMDVMCO-SFTDATJTSA-N 1 3 364.493 3.000 20 0 FFADHO CNc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC001292417172 1049338525 /nfs/dbraw/zinc/33/85/25/1049338525.db2.gz QMOVHNULMCSZGE-UHFFFAOYSA-N 1 3 364.921 2.670 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)CC1 ZINC001296066211 1050018513 /nfs/dbraw/zinc/01/85/13/1050018513.db2.gz BHTKSUDIAUPJAM-LJQANCHMSA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)CC1 ZINC001296066211 1050018521 /nfs/dbraw/zinc/01/85/21/1050018521.db2.gz BHTKSUDIAUPJAM-LJQANCHMSA-N 1 3 374.577 2.808 20 0 FFADHO Cn1c(C(=O)Nc2ccc3c(c2)CNCCO3)ccc1[C@H]1CCCC[NH2+]1 ZINC001341789289 1050402015 /nfs/dbraw/zinc/40/20/15/1050402015.db2.gz XPHGRTQUHZVLAP-MRXNPFEDSA-N 1 3 354.454 2.574 20 0 FFADHO Cc1ccc(NC(=O)c2cccc3c2OCCNC3)c(OCC[NH+](C)C)c1 ZINC001340094329 1050498061 /nfs/dbraw/zinc/49/80/61/1050498061.db2.gz QGYIYBOESKAEND-UHFFFAOYSA-N 1 3 369.465 2.670 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(F)cc1 ZINC001342331149 1050924205 /nfs/dbraw/zinc/92/42/05/1050924205.db2.gz NLLUTTHKARFHNE-OKZBNKHCSA-N 1 3 350.482 2.600 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@]23C[C@H]2CCCN3)cc1 ZINC001340844288 1051183097 /nfs/dbraw/zinc/18/30/97/1051183097.db2.gz KSLCRLOZGLPDOK-IERDGZPVSA-N 1 3 370.497 2.582 20 0 FFADHO CC1([NH+]2CCCCC2)CCN(C(=O)c2ccc3c(c2)OCCNC3)CC1 ZINC001340940610 1051271229 /nfs/dbraw/zinc/27/12/29/1051271229.db2.gz LZLBDWVZYZEJCS-UHFFFAOYSA-N 1 3 357.498 2.649 20 0 FFADHO CC(C)CN1CCN(c2nnc(C(C)C)n2CC[N@H+](C)C(C)C)CC1 ZINC001303182800 1051297245 /nfs/dbraw/zinc/29/72/45/1051297245.db2.gz NXWPOCYIFHDBKY-UHFFFAOYSA-N 1 3 350.555 2.520 20 0 FFADHO CC(C)CN1CCN(c2nnc(C(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001303182800 1051297255 /nfs/dbraw/zinc/29/72/55/1051297255.db2.gz NXWPOCYIFHDBKY-UHFFFAOYSA-N 1 3 350.555 2.520 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001341020658 1051356785 /nfs/dbraw/zinc/35/67/85/1051356785.db2.gz VCUYBZJWIMTAOZ-QGZVFWFLSA-N 1 3 360.550 2.562 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001341020658 1051356797 /nfs/dbraw/zinc/35/67/97/1051356797.db2.gz VCUYBZJWIMTAOZ-QGZVFWFLSA-N 1 3 360.550 2.562 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])cc2)CC1 ZINC001341448320 1051803710 /nfs/dbraw/zinc/80/37/10/1051803710.db2.gz OAGYLCJGWFYHMS-KNQAVFIVSA-N 1 3 370.541 2.561 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306181023 1052056177 /nfs/dbraw/zinc/05/61/77/1052056177.db2.gz VNSILYSFAIALMZ-FPOVZHCZSA-N 1 3 364.493 2.861 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC001308330206 1052447226 /nfs/dbraw/zinc/44/72/26/1052447226.db2.gz JLCJDRNCFGXRHF-IAGOWNOFSA-N 1 3 366.889 2.579 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C[C@@H](C)O1 ZINC001335350848 1053311022 /nfs/dbraw/zinc/31/10/22/1053311022.db2.gz KIFDVNFWESFVBD-LBTNJELSSA-N 1 3 358.885 2.992 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335556241 1053431821 /nfs/dbraw/zinc/43/18/21/1053431821.db2.gz IPWIYRDGEBLAIF-FCOWATRHSA-N 1 3 358.530 2.712 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CC2(CC([NH3+])C2)C1)c1ccc(Cl)cc1 ZINC001335724777 1053523438 /nfs/dbraw/zinc/52/34/38/1053523438.db2.gz BADVLLOIVITYGO-LMBQMVEXSA-N 1 3 350.894 2.512 20 0 FFADHO CCN(C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001336177351 1053819279 /nfs/dbraw/zinc/81/92/79/1053819279.db2.gz WWEVZWXHRWSHFQ-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC[NH+](C)CC3)n2CC(C)C)C[C@H]1C ZINC001347680127 1054220947 /nfs/dbraw/zinc/22/09/47/1054220947.db2.gz MDPFXTOWHJJLID-IAGOWNOFSA-N 1 3 362.566 2.662 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CCC[N@H+](CC4CC4)C3)c2cc1C ZINC001336797871 1054235974 /nfs/dbraw/zinc/23/59/74/1054235974.db2.gz FTYIXXXMFSNRNH-UXHICEINSA-N 1 3 370.541 2.726 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CCC[N@@H+](CC4CC4)C3)c2cc1C ZINC001336797871 1054235988 /nfs/dbraw/zinc/23/59/88/1054235988.db2.gz FTYIXXXMFSNRNH-UXHICEINSA-N 1 3 370.541 2.726 20 0 FFADHO C[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCCC[C@@H]1C ZINC000849061963 1055615048 /nfs/dbraw/zinc/61/50/48/1055615048.db2.gz HSVQBZWTWYESBE-DLBZAZTESA-N 1 3 361.509 2.735 20 0 FFADHO CCOC1CC(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849090238 1055636462 /nfs/dbraw/zinc/63/64/62/1055636462.db2.gz XNWBXCVCHOPWTP-UHFFFAOYSA-N 1 3 358.530 2.970 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC001338810417 1055837122 /nfs/dbraw/zinc/83/71/22/1055837122.db2.gz ZSSFGTXWCLVYFV-UXHICEINSA-N 1 3 374.598 2.988 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCNC2 ZINC001357337000 1055868547 /nfs/dbraw/zinc/86/85/47/1055868547.db2.gz GJSAKFSXMANJAR-UHFFFAOYSA-N 1 3 365.477 2.694 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001357491001 1055923154 /nfs/dbraw/zinc/92/31/54/1055923154.db2.gz PQUGMGFSAABIAC-JZXOWHBKSA-N 1 3 357.498 2.646 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001357491001 1055923159 /nfs/dbraw/zinc/92/31/59/1055923159.db2.gz PQUGMGFSAABIAC-JZXOWHBKSA-N 1 3 357.498 2.646 20 0 FFADHO S=C(NCCN1CCCCC1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001200427850 1056666081 /nfs/dbraw/zinc/66/60/81/1056666081.db2.gz LPVGWVCOJJEXFP-SFHVURJKSA-N 1 3 352.592 2.687 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)c1ccc(C)cc1 ZINC001442926507 1058171787 /nfs/dbraw/zinc/17/17/87/1058171787.db2.gz VCQMWJMZGIXKMX-GOSISDBHSA-N 1 3 367.484 2.961 20 0 FFADHO CC[NH+](CC)C1CCN(c2nnc(C3CC3)n2CCN2CC=CCC2)CC1 ZINC001501892846 1058733119 /nfs/dbraw/zinc/73/31/19/1058733119.db2.gz CQTPCCFEHTZKPM-UHFFFAOYSA-N 1 3 372.561 2.728 20 0 FFADHO CN(C)Cc1ccc(NC(=O)c2ccn(CCC[NH3+])n2)cc1C(F)(F)F ZINC001354657698 1059325086 /nfs/dbraw/zinc/32/50/86/1059325086.db2.gz ANCVVXOBUUULRG-UHFFFAOYSA-N 1 3 369.391 2.565 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNCc2cc(F)ccc2F)CC[N@@H+]1C ZINC001505813663 1059406606 /nfs/dbraw/zinc/40/66/06/1059406606.db2.gz SIZGCGQAFGVUQT-RHSMWYFYSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNCc2cc(F)ccc2F)CC[N@H+]1C ZINC001505813663 1059406628 /nfs/dbraw/zinc/40/66/28/1059406628.db2.gz SIZGCGQAFGVUQT-RHSMWYFYSA-N 1 3 367.484 2.879 20 0 FFADHO CCCCCCN(C)CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC001454064006 1059441542 /nfs/dbraw/zinc/44/15/42/1059441542.db2.gz NYTLHSNGTAUPCK-SFHVURJKSA-N 1 3 353.551 2.600 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001355230898 1060011972 /nfs/dbraw/zinc/01/19/72/1060011972.db2.gz AQSUPJBHBSXVLW-OALUTQOASA-N 1 3 371.525 2.761 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456434826 1060122917 /nfs/dbraw/zinc/12/29/17/1060122917.db2.gz SUNACPGOOGGFER-OAQYLSRUSA-N 1 3 373.541 2.612 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456434826 1060122926 /nfs/dbraw/zinc/12/29/26/1060122926.db2.gz SUNACPGOOGGFER-OAQYLSRUSA-N 1 3 373.541 2.612 20 0 FFADHO C[C@@]1(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CCN(Cc2ccccc2)C1 ZINC000848548671 1060260326 /nfs/dbraw/zinc/26/03/26/1060260326.db2.gz DVPKPXPDTLDKEG-YADHBBJMSA-N 1 3 357.542 2.742 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCCN1CC ZINC001457872716 1060461073 /nfs/dbraw/zinc/46/10/73/1060461073.db2.gz WOFDPOWTEAYFET-NJDAHSKKSA-N 1 3 373.541 2.514 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCCCN1CC ZINC001457872716 1060461085 /nfs/dbraw/zinc/46/10/85/1060461085.db2.gz WOFDPOWTEAYFET-NJDAHSKKSA-N 1 3 373.541 2.514 20 0 FFADHO Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001511900492 1060465141 /nfs/dbraw/zinc/46/51/41/1060465141.db2.gz OBYJGLUAHRNGRO-INIZCTEOSA-N 1 3 362.566 2.627 20 0 FFADHO Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001511900492 1060465149 /nfs/dbraw/zinc/46/51/49/1060465149.db2.gz OBYJGLUAHRNGRO-INIZCTEOSA-N 1 3 362.566 2.627 20 0 FFADHO CC(=O)N1C[C@@H]2C[N@@H+](CCCN3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001460684779 1061060867 /nfs/dbraw/zinc/06/08/67/1061060867.db2.gz HDKJIFCIYHGLPL-ZRZAMGCNSA-N 1 3 369.553 2.741 20 0 FFADHO CC(=O)N1C[C@@H]2C[N@H+](CCCN3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001460684779 1061060869 /nfs/dbraw/zinc/06/08/69/1061060869.db2.gz HDKJIFCIYHGLPL-ZRZAMGCNSA-N 1 3 369.553 2.741 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001477798584 1061804934 /nfs/dbraw/zinc/80/49/34/1061804934.db2.gz GPCBOMOBYOUWDW-SFTDATJTSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC001477798584 1061804942 /nfs/dbraw/zinc/80/49/42/1061804942.db2.gz GPCBOMOBYOUWDW-SFTDATJTSA-N 1 3 372.557 2.989 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1cccc(F)c1 ZINC001477909572 1061834260 /nfs/dbraw/zinc/83/42/60/1061834260.db2.gz RUGNYOUIMDMFIL-INIZCTEOSA-N 1 3 366.525 2.675 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1cccc(F)c1 ZINC001477909572 1061834284 /nfs/dbraw/zinc/83/42/84/1061834284.db2.gz RUGNYOUIMDMFIL-INIZCTEOSA-N 1 3 366.525 2.675 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCCc2ccccc21 ZINC001478957092 1062161668 /nfs/dbraw/zinc/16/16/68/1062161668.db2.gz MQJXCUPICHJMOO-LAUBAEHRSA-N 1 3 360.546 2.809 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCCc2ccccc21 ZINC001478957092 1062161673 /nfs/dbraw/zinc/16/16/73/1062161673.db2.gz MQJXCUPICHJMOO-LAUBAEHRSA-N 1 3 360.546 2.809 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001478956974 1062162573 /nfs/dbraw/zinc/16/25/73/1062162573.db2.gz KAJRRUYUFVLWAC-ZYSHUDEJSA-N 1 3 364.509 2.583 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001478956974 1062162582 /nfs/dbraw/zinc/16/25/82/1062162582.db2.gz KAJRRUYUFVLWAC-ZYSHUDEJSA-N 1 3 364.509 2.583 20 0 FFADHO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC001523406347 1062453501 /nfs/dbraw/zinc/45/35/01/1062453501.db2.gz DWXRRKHOAJDCFP-UHFFFAOYSA-N 1 3 355.507 2.527 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)CC(C)(C)C ZINC001479476762 1062454246 /nfs/dbraw/zinc/45/42/46/1062454246.db2.gz XDOCBZCYZKBIQZ-KSZLIROESA-N 1 3 367.578 2.654 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001479580071 1062578739 /nfs/dbraw/zinc/57/87/39/1062578739.db2.gz MYZPRDNHERSQGR-HSALFYBXSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001497818862 1063768933 /nfs/dbraw/zinc/76/89/33/1063768933.db2.gz WJEHGAGCQSHOHJ-HACGYAERSA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC001497818862 1063768947 /nfs/dbraw/zinc/76/89/47/1063768947.db2.gz WJEHGAGCQSHOHJ-HACGYAERSA-N 1 3 355.885 2.804 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC001469157418 1064100490 /nfs/dbraw/zinc/10/04/90/1064100490.db2.gz KRKCWEKWDDTVSA-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC001469157418 1064100493 /nfs/dbraw/zinc/10/04/93/1064100493.db2.gz KRKCWEKWDDTVSA-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001469710532 1064197127 /nfs/dbraw/zinc/19/71/27/1064197127.db2.gz ZPPYAHKALRMOPD-CMKODMSKSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001469710532 1064197133 /nfs/dbraw/zinc/19/71/33/1064197133.db2.gz ZPPYAHKALRMOPD-CMKODMSKSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC001575638269 1078159761 /nfs/dbraw/zinc/15/97/61/1078159761.db2.gz QPGDQFUKYNBCIU-LBPRGKRZSA-N 1 3 351.882 2.661 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc(-c2cn[nH]n2)cc1 ZINC001576793626 1078274981 /nfs/dbraw/zinc/27/49/81/1078274981.db2.gz MVAQNMPVIORYBJ-GOSISDBHSA-N 1 3 370.501 2.607 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(-c2cn[nH]n2)cc1 ZINC001576793626 1078274986 /nfs/dbraw/zinc/27/49/86/1078274986.db2.gz MVAQNMPVIORYBJ-GOSISDBHSA-N 1 3 370.501 2.607 20 0 FFADHO C[C@@H]1CN(CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@@H](C)C[NH2+]1 ZINC001576802540 1078276610 /nfs/dbraw/zinc/27/66/10/1078276610.db2.gz YIDHLXBCIGRKAB-SJORKVTESA-N 1 3 350.938 2.534 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001576809224 1078276923 /nfs/dbraw/zinc/27/69/23/1078276923.db2.gz QHOLJEDBIIMNMI-BJLQDIEVSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001576809179 1078277039 /nfs/dbraw/zinc/27/70/39/1078277039.db2.gz OYXGGUGMIJKHMU-HBFSDRIKSA-N 1 3 358.530 2.586 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001576893443 1078284761 /nfs/dbraw/zinc/28/47/61/1078284761.db2.gz JWSLLRVYQKNXMC-ZWKOTPCHSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C)nnc1N1CC[NH2+][C@H](C)C1)c1ccsc1 ZINC001577684986 1078387854 /nfs/dbraw/zinc/38/78/54/1078387854.db2.gz RDSYCXFXORIRIO-PBHICJAKSA-N 1 3 362.547 2.529 20 0 FFADHO CCc1ccc([C@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N(C)CC)N(C)C)cc1 ZINC001578253836 1078456626 /nfs/dbraw/zinc/45/66/26/1078456626.db2.gz NPFZOHVFCIPIMY-OTWHNJEPSA-N 1 3 370.545 2.804 20 0 FFADHO Cn1ncc(C[NH3+])c1CN1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001580002157 1078730232 /nfs/dbraw/zinc/73/02/32/1078730232.db2.gz HVGKGOFBTDRGSQ-MRXNPFEDSA-N 1 3 350.470 2.649 20 0 FFADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001580251200 1078775203 /nfs/dbraw/zinc/77/52/03/1078775203.db2.gz BSKZQAWZEQJYBS-IRFCIJBXSA-N 1 3 356.514 2.564 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC001580261626 1078776695 /nfs/dbraw/zinc/77/66/95/1078776695.db2.gz FFUHRVMYAFZFFQ-SWLSCSKDSA-N 1 3 354.292 2.885 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1cccc(Br)c1 ZINC001580261626 1078776698 /nfs/dbraw/zinc/77/66/98/1078776698.db2.gz FFUHRVMYAFZFFQ-SWLSCSKDSA-N 1 3 354.292 2.885 20 0 FFADHO [NH3+][C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001580429268 1078801831 /nfs/dbraw/zinc/80/18/31/1078801831.db2.gz WGLBYSZLVOCJAK-WGSAOQKQSA-N 1 3 356.514 2.706 20 0 FFADHO CN1C[C@@H](c2ccccc2)[C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC001549173945 1073675636 /nfs/dbraw/zinc/67/56/36/1073675636.db2.gz RLXLHMVPFUEZKV-BVSLBCMMSA-N 1 3 357.542 2.565 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550282251 1074197545 /nfs/dbraw/zinc/19/75/45/1074197545.db2.gz PEYHQZBONWMTCB-LBFURVHYSA-N 1 3 370.541 2.823 20 0 FFADHO O=C1CC[C@H](NCc2cc(Cl)ccc2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913251 1074529571 /nfs/dbraw/zinc/52/95/71/1074529571.db2.gz MWXSRRWKLSLWQD-DOTOQJQBSA-N 1 3 356.297 2.730 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)NC2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001551164443 1074630062 /nfs/dbraw/zinc/63/00/62/1074630062.db2.gz OTSGKPPGYHNEFO-UHFFFAOYSA-N 1 3 373.541 2.554 20 0 FFADHO Fc1cc(F)cc(O[C@@H]2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)c1 ZINC001551396478 1074715510 /nfs/dbraw/zinc/71/55/10/1074715510.db2.gz IFONRMNIZGHGOW-SJLPKXTDSA-N 1 3 352.425 2.577 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)CC[C@@H]1c1ccc(F)cc1 ZINC001552429929 1075074482 /nfs/dbraw/zinc/07/44/82/1075074482.db2.gz GGFOPBNLOVRBAE-RLLQIKCJSA-N 1 3 353.441 2.704 20 0 FFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC001553024980 1075201162 /nfs/dbraw/zinc/20/11/62/1075201162.db2.gz URHHTFPYJMXPFU-ANTGDGSKSA-N 1 3 360.546 2.872 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001563461567 1076557196 /nfs/dbraw/zinc/55/71/96/1076557196.db2.gz IOCUTQFUDSXIQH-HXUWFJFHSA-N 1 3 360.546 2.854 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001563461567 1076557199 /nfs/dbraw/zinc/55/71/99/1076557199.db2.gz IOCUTQFUDSXIQH-HXUWFJFHSA-N 1 3 360.546 2.854 20 0 FFADHO CN1CCC[C@@H](NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001563719575 1076578196 /nfs/dbraw/zinc/57/81/96/1076578196.db2.gz NDJZGIMDJAAMGA-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(C)C1 ZINC001563734630 1076579240 /nfs/dbraw/zinc/57/92/40/1076579240.db2.gz ISBPLULKUJCBEZ-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(C)(C)C)o1 ZINC001565055673 1076681258 /nfs/dbraw/zinc/68/12/58/1076681258.db2.gz IGUDYMJPKSSGNY-HNNXBMFYSA-N 1 3 352.523 2.648 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(C)(C)C)o1 ZINC001565055673 1076681261 /nfs/dbraw/zinc/68/12/61/1076681261.db2.gz IGUDYMJPKSSGNY-HNNXBMFYSA-N 1 3 352.523 2.648 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001565915265 1076799776 /nfs/dbraw/zinc/79/97/76/1076799776.db2.gz MXHBAZNRNWQVIH-MAUKXSAKSA-N 1 3 358.461 2.783 20 0 FFADHO CC[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1ocnc1C)N(C)C ZINC001565986830 1076831379 /nfs/dbraw/zinc/83/13/79/1076831379.db2.gz PGSBSALXHYVPAL-BPQIPLTHSA-N 1 3 364.534 2.820 20 0 FFADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001566629137 1076972487 /nfs/dbraw/zinc/97/24/87/1076972487.db2.gz RRMMKLVFFJLWKD-LNLFQRSKSA-N 1 3 365.468 2.568 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2cccc3cccnc32)C2CC2)CC[N@@H+]1C ZINC001567442800 1077028173 /nfs/dbraw/zinc/02/81/73/1077028173.db2.gz KWZZBORVXMPLIN-OXQOHEQNSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2cccc3cccnc32)C2CC2)CC[N@H+]1C ZINC001567442800 1077028176 /nfs/dbraw/zinc/02/81/76/1077028176.db2.gz KWZZBORVXMPLIN-OXQOHEQNSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2ccccc2C2CC2)C2CC2)CC[N@@H+]1C ZINC001567442623 1077028358 /nfs/dbraw/zinc/02/83/58/1077028358.db2.gz KLBDQRYVDAAETN-OXQOHEQNSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2ccccc2C2CC2)C2CC2)CC[N@H+]1C ZINC001567442623 1077028361 /nfs/dbraw/zinc/02/83/61/1077028361.db2.gz KLBDQRYVDAAETN-OXQOHEQNSA-N 1 3 355.526 2.985 20 0 FFADHO CN(CC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)C(=O)CN(C)C1CCC1 ZINC001567509234 1077033064 /nfs/dbraw/zinc/03/30/64/1077033064.db2.gz XSHIBZWGXLRFNJ-HKUYNNGSSA-N 1 3 365.468 2.568 20 0 FFADHO Cc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001568273507 1077081969 /nfs/dbraw/zinc/08/19/69/1077081969.db2.gz MYZZNDCQEXXAJF-BFYDXBDKSA-N 1 3 351.922 2.925 20 0 FFADHO Cc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001568273507 1077081974 /nfs/dbraw/zinc/08/19/74/1077081974.db2.gz MYZZNDCQEXXAJF-BFYDXBDKSA-N 1 3 351.922 2.925 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cccc(F)c1F ZINC001568451368 1077092484 /nfs/dbraw/zinc/09/24/84/1077092484.db2.gz NFGMWATWNFZHPM-UNEWFSDZSA-N 1 3 353.457 2.535 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cccc(F)c1F ZINC001568451368 1077092488 /nfs/dbraw/zinc/09/24/88/1077092488.db2.gz NFGMWATWNFZHPM-UNEWFSDZSA-N 1 3 353.457 2.535 20 0 FFADHO CCC1(NCc2ncc(C)s2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001570255025 1077193542 /nfs/dbraw/zinc/19/35/42/1077193542.db2.gz NCFMQMXAKSWCAE-HZPDHXFCSA-N 1 3 364.559 2.653 20 0 FFADHO CCC1(NCc2ncc(C)s2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001570255025 1077193543 /nfs/dbraw/zinc/19/35/43/1077193543.db2.gz NCFMQMXAKSWCAE-HZPDHXFCSA-N 1 3 364.559 2.653 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H]4C[C@H](C)C[N@@H+]4C3)cc2)CC1 ZINC001587259144 1079763168 /nfs/dbraw/zinc/76/31/68/1079763168.db2.gz GUJRWLSWZSQOIK-WAOWUJCRSA-N 1 3 370.541 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H]4C[C@H](C)C[N@H+]4C3)cc2)CC1 ZINC001587259144 1079763179 /nfs/dbraw/zinc/76/31/79/1079763179.db2.gz GUJRWLSWZSQOIK-WAOWUJCRSA-N 1 3 370.541 2.887 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093770402 250044241 /nfs/dbraw/zinc/04/42/41/250044241.db2.gz DKGKTBQIQGOWJL-LJQANCHMSA-N 1 3 358.574 2.991 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093770402 250044247 /nfs/dbraw/zinc/04/42/47/250044247.db2.gz DKGKTBQIQGOWJL-LJQANCHMSA-N 1 3 358.574 2.991 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000173557304 251206697 /nfs/dbraw/zinc/20/66/97/251206697.db2.gz AZJBFZHCBALXOP-FQEVSTJZSA-N 1 3 356.514 2.684 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000175524656 251224211 /nfs/dbraw/zinc/22/42/11/251224211.db2.gz QMFUHKSJRMVHLC-FQEVSTJZSA-N 1 3 358.530 2.996 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000268791063 251385875 /nfs/dbraw/zinc/38/58/75/251385875.db2.gz GCZXVHXJLAPKSS-UYAOXDASSA-N 1 3 361.530 2.766 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000268791063 251385878 /nfs/dbraw/zinc/38/58/78/251385878.db2.gz GCZXVHXJLAPKSS-UYAOXDASSA-N 1 3 361.530 2.766 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272501828 252054371 /nfs/dbraw/zinc/05/43/71/252054371.db2.gz VTQHTZHAOPIZMF-VQTJNVASSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1=CCN(C)CC1 ZINC000272703095 252107967 /nfs/dbraw/zinc/10/79/67/252107967.db2.gz GBGDAAYVCJOFMC-BBTUJRGHSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1=CCN(C)CC1 ZINC000272703095 252107969 /nfs/dbraw/zinc/10/79/69/252107969.db2.gz GBGDAAYVCJOFMC-BBTUJRGHSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1=CCN(C)CC1 ZINC000272711063 252110739 /nfs/dbraw/zinc/11/07/39/252110739.db2.gz HRWAJYFYPPEWGI-LQWHRVPQSA-N 1 3 370.541 2.989 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1=CCN(C)CC1 ZINC000272711063 252110744 /nfs/dbraw/zinc/11/07/44/252110744.db2.gz HRWAJYFYPPEWGI-LQWHRVPQSA-N 1 3 370.541 2.989 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277381720 256191972 /nfs/dbraw/zinc/19/19/72/256191972.db2.gz WJJOAINZJJANGY-HXUWFJFHSA-N 1 3 372.557 2.773 20 0 FFADHO Cn1cc([C@H](O)CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000286176560 257023909 /nfs/dbraw/zinc/02/39/09/257023909.db2.gz QRLCULSUNMSZNY-FVTFTPSCSA-N 1 3 368.525 2.734 20 0 FFADHO Cn1cc([C@H](O)CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000286176560 257023910 /nfs/dbraw/zinc/02/39/10/257023910.db2.gz QRLCULSUNMSZNY-FVTFTPSCSA-N 1 3 368.525 2.734 20 0 FFADHO Cn1cc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000286176560 257023911 /nfs/dbraw/zinc/02/39/11/257023911.db2.gz QRLCULSUNMSZNY-FVTFTPSCSA-N 1 3 368.525 2.734 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000287669082 257101558 /nfs/dbraw/zinc/10/15/58/257101558.db2.gz MAAOETTZLNWOEY-QZTJIDSGSA-N 1 3 371.447 2.634 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000288393978 257183810 /nfs/dbraw/zinc/18/38/10/257183810.db2.gz IVNQUGOXRJCRBW-LJQANCHMSA-N 1 3 362.493 2.602 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000289395769 257279019 /nfs/dbraw/zinc/27/90/19/257279019.db2.gz DZRPRHMFQSYSSR-OAQYLSRUSA-N 1 3 356.558 2.540 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000289395769 257279020 /nfs/dbraw/zinc/27/90/20/257279020.db2.gz DZRPRHMFQSYSSR-OAQYLSRUSA-N 1 3 356.558 2.540 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[NH2+][C@@H]3C(C)C)c(C)c2)CC1 ZINC000289848726 257302596 /nfs/dbraw/zinc/30/25/96/257302596.db2.gz CATQHMLODYKREK-AZUAARDMSA-N 1 3 358.530 2.710 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414932228 514361256 /nfs/dbraw/zinc/36/12/56/514361256.db2.gz CMNJKFKBOHTBHL-LALPHHSUSA-N 1 3 354.292 2.754 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000377351265 512227743 /nfs/dbraw/zinc/22/77/43/512227743.db2.gz XENPNCAOSQFVFW-FQEVSTJZSA-N 1 3 373.541 2.516 20 0 FFADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1)Cc1ccccc1 ZINC000054762219 506616273 /nfs/dbraw/zinc/61/62/73/506616273.db2.gz WNWQPIABLXXXAL-UHFFFAOYSA-N 1 3 368.525 2.892 20 0 FFADHO CN1CCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000044533932 506854520 /nfs/dbraw/zinc/85/45/20/506854520.db2.gz KAFMHGQMIWTUBI-GFCCVEGCSA-N 1 3 355.276 2.652 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067679573 506973478 /nfs/dbraw/zinc/97/34/78/506973478.db2.gz DNQORMKWGJLLJM-LEWJYISDSA-N 1 3 372.557 2.930 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067679573 506973481 /nfs/dbraw/zinc/97/34/81/506973481.db2.gz DNQORMKWGJLLJM-LEWJYISDSA-N 1 3 372.557 2.930 20 0 FFADHO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000056796586 507095114 /nfs/dbraw/zinc/09/51/14/507095114.db2.gz UJEPNPXWGGKGFQ-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC1CC[NH+](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000046370045 507124461 /nfs/dbraw/zinc/12/44/61/507124461.db2.gz RVGGZUOYUZVIGL-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000046372896 507126849 /nfs/dbraw/zinc/12/68/49/507126849.db2.gz KCROIPFWFZMXFL-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000046372896 507126855 /nfs/dbraw/zinc/12/68/55/507126855.db2.gz KCROIPFWFZMXFL-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000068582276 507279110 /nfs/dbraw/zinc/27/91/10/507279110.db2.gz GILARFMZHDNTKO-OAHLLOKOSA-N 1 3 370.488 2.768 20 0 FFADHO COc1ccc(CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797494 507714523 /nfs/dbraw/zinc/71/45/23/507714523.db2.gz IBMWTILGGJZCRB-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO CCN(CCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761545 507783596 /nfs/dbraw/zinc/78/35/96/507783596.db2.gz PRFUIHJWIOXXCW-UHFFFAOYSA-N 1 3 372.557 2.819 20 0 FFADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000107385486 507848979 /nfs/dbraw/zinc/84/89/79/507848979.db2.gz GFZHBQAZQPVLHG-GOSISDBHSA-N 1 3 360.502 2.719 20 0 FFADHO CCN(Cc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1)C1CC1 ZINC000073133478 507896920 /nfs/dbraw/zinc/89/69/20/507896920.db2.gz BSXUEFNOOSJJEH-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000108589807 507906892 /nfs/dbraw/zinc/90/68/92/507906892.db2.gz QHMHQMZIPWLKGP-NRFANRHFSA-N 1 3 372.557 2.678 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000108589807 507906893 /nfs/dbraw/zinc/90/68/93/507906893.db2.gz QHMHQMZIPWLKGP-NRFANRHFSA-N 1 3 372.557 2.678 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)Cn2cc(Br)cn2)C1 ZINC000090586005 507929240 /nfs/dbraw/zinc/92/92/40/507929240.db2.gz AGNSESBBQGEVGJ-LSDHHAIUSA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)Cn2cc(Br)cn2)C1 ZINC000090586005 507929241 /nfs/dbraw/zinc/92/92/41/507929241.db2.gz AGNSESBBQGEVGJ-LSDHHAIUSA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)C1 ZINC000090586005 507929243 /nfs/dbraw/zinc/92/92/43/507929243.db2.gz AGNSESBBQGEVGJ-LSDHHAIUSA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[NH+]1CCC(C)CC1 ZINC000073651803 507942998 /nfs/dbraw/zinc/94/29/98/507942998.db2.gz MCCPSEUTKLKTCV-QYZOEREBSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000073774432 507954021 /nfs/dbraw/zinc/95/40/21/507954021.db2.gz BABBIJKYTQVMOY-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000079586548 507978627 /nfs/dbraw/zinc/97/86/27/507978627.db2.gz OEMDNDLBWAJFRC-GFCCVEGCSA-N 1 3 359.392 2.895 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)o1 ZINC000079688409 507991784 /nfs/dbraw/zinc/99/17/84/507991784.db2.gz APUQGXUZVWZAOA-KRWDZBQOSA-N 1 3 364.534 2.783 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000074562361 508034949 /nfs/dbraw/zinc/03/49/49/508034949.db2.gz PCRPSDHJGDMHSB-UHFFFAOYSA-N 1 3 355.442 2.505 20 0 FFADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000430615866 513704263 /nfs/dbraw/zinc/70/42/63/513704263.db2.gz DQQXFSOBQICVDX-DOMZBBRYSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000430615866 513704264 /nfs/dbraw/zinc/70/42/64/513704264.db2.gz DQQXFSOBQICVDX-DOMZBBRYSA-N 1 3 354.292 2.979 20 0 FFADHO COc1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c2ccccc12 ZINC000092615885 508087182 /nfs/dbraw/zinc/08/71/82/508087182.db2.gz VMOFAIOBNLJMKH-UHFFFAOYSA-N 1 3 369.509 2.738 20 0 FFADHO COC(=O)[C@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000092643832 508089344 /nfs/dbraw/zinc/08/93/44/508089344.db2.gz ONYQWKXMPNQFNL-SFHVURJKSA-N 1 3 359.514 2.602 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000111439928 508098689 /nfs/dbraw/zinc/09/86/89/508098689.db2.gz YSTNGVKXTVJISU-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO O[C@H](C[NH2+][C@H]1CCCc2ccc(Br)cc21)CN1CCCC1 ZINC000092740551 508098694 /nfs/dbraw/zinc/09/86/94/508098694.db2.gz HRYKWOFSVIUHDQ-WBVHZDCISA-N 1 3 353.304 2.873 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000111857109 508130795 /nfs/dbraw/zinc/13/07/95/508130795.db2.gz ZTJLEBYEBQLWBQ-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000111857109 508130798 /nfs/dbraw/zinc/13/07/98/508130798.db2.gz ZTJLEBYEBQLWBQ-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C1CC1 ZINC000111856633 508130860 /nfs/dbraw/zinc/13/08/60/508130860.db2.gz WVWBHIWGPOWOEL-TYGFWLQKSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C1CC1 ZINC000111856633 508130864 /nfs/dbraw/zinc/13/08/64/508130864.db2.gz WVWBHIWGPOWOEL-TYGFWLQKSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111875303 508132724 /nfs/dbraw/zinc/13/27/24/508132724.db2.gz LVDAXKVJMUDJMN-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111875303 508132726 /nfs/dbraw/zinc/13/27/26/508132726.db2.gz LVDAXKVJMUDJMN-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)[C@H](C)C1 ZINC000093639527 508150677 /nfs/dbraw/zinc/15/06/77/508150677.db2.gz MGFRCXVNQSWAPN-UYAOXDASSA-N 1 3 373.541 2.850 20 0 FFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)[C@H](C)C1 ZINC000093639527 508150679 /nfs/dbraw/zinc/15/06/79/508150679.db2.gz MGFRCXVNQSWAPN-UYAOXDASSA-N 1 3 373.541 2.850 20 0 FFADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(F)cc2)cc1 ZINC000076331110 508187382 /nfs/dbraw/zinc/18/73/82/508187382.db2.gz RNCBDHBMFPKKRL-UHFFFAOYSA-N 1 3 355.457 2.941 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C(C)C ZINC000102564002 508277701 /nfs/dbraw/zinc/27/77/01/508277701.db2.gz ADDPWQHBBVOMTD-QGZVFWFLSA-N 1 3 366.575 2.990 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C(C)C ZINC000102564002 508277704 /nfs/dbraw/zinc/27/77/04/508277704.db2.gz ADDPWQHBBVOMTD-QGZVFWFLSA-N 1 3 366.575 2.990 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000103213173 508302561 /nfs/dbraw/zinc/30/25/61/508302561.db2.gz BZXIXSAFMQLPNH-UHFFFAOYSA-N 1 3 364.877 2.560 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000103307312 508305960 /nfs/dbraw/zinc/30/59/60/508305960.db2.gz DUIRHYBQVSGIRC-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[C@H](C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000085457032 508309712 /nfs/dbraw/zinc/30/97/12/508309712.db2.gz WGHHIQLOMWSZKU-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CCCOc1ccc(CNCC2(O)CC[NH+](C)CC2)c(OCCC)c1 ZINC000077450585 508317320 /nfs/dbraw/zinc/31/73/20/508317320.db2.gz XQNZWIWHZZGDGH-UHFFFAOYSA-N 1 3 350.503 2.811 20 0 FFADHO Cc1cc(C[NH2+]CC2(O)CCN(C)CC2)cc(C)c1OCc1ccccn1 ZINC000077450068 508317338 /nfs/dbraw/zinc/31/73/38/508317338.db2.gz SYYWGNKMHNVUKD-UHFFFAOYSA-N 1 3 369.509 2.824 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114781267 508346575 /nfs/dbraw/zinc/34/65/75/508346575.db2.gz QTCXNAUBTHGXTJ-HXUWFJFHSA-N 1 3 358.530 2.823 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000105082641 508359638 /nfs/dbraw/zinc/35/96/38/508359638.db2.gz IHXQIVXYXAQAOJ-SFTDATJTSA-N 1 3 372.557 2.819 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccsc1 ZINC000105123971 508362679 /nfs/dbraw/zinc/36/26/79/508362679.db2.gz GVCPMKZMXSOJNU-YOEHRIQHSA-N 1 3 352.548 2.913 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccsc1 ZINC000105123971 508362681 /nfs/dbraw/zinc/36/26/81/508362681.db2.gz GVCPMKZMXSOJNU-YOEHRIQHSA-N 1 3 352.548 2.913 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000088483314 508372993 /nfs/dbraw/zinc/37/29/93/508372993.db2.gz JFXNJJPJXKKQBL-HDICACEKSA-N 1 3 364.534 2.721 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000088483314 508372996 /nfs/dbraw/zinc/37/29/96/508372996.db2.gz JFXNJJPJXKKQBL-HDICACEKSA-N 1 3 364.534 2.721 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000121737161 508407107 /nfs/dbraw/zinc/40/71/07/508407107.db2.gz MTSBXIQNPYYHLD-KNQAVFIVSA-N 1 3 359.558 2.771 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000121737161 508407109 /nfs/dbraw/zinc/40/71/09/508407109.db2.gz MTSBXIQNPYYHLD-KNQAVFIVSA-N 1 3 359.558 2.771 20 0 FFADHO CN(C)CCNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000133648257 508429118 /nfs/dbraw/zinc/42/91/18/508429118.db2.gz VLLYEJJTULMKNH-UHFFFAOYSA-N 1 3 360.546 2.582 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000115762125 508433978 /nfs/dbraw/zinc/43/39/78/508433978.db2.gz UWFFICDGXPAONN-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000115762125 508433981 /nfs/dbraw/zinc/43/39/81/508433981.db2.gz UWFFICDGXPAONN-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127490066 508457492 /nfs/dbraw/zinc/45/74/92/508457492.db2.gz LVFQYRQFDMDQLL-VQIMIIECSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000133866508 508460620 /nfs/dbraw/zinc/46/06/20/508460620.db2.gz GAVYWYOSRKZFLB-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000116561044 508530125 /nfs/dbraw/zinc/53/01/25/508530125.db2.gz IMFCFDVUCHYZOS-FXAWDEMLSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CCC(N2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000128056873 508541504 /nfs/dbraw/zinc/54/15/04/508541504.db2.gz OEOPQHPGUNHVKH-UHFFFAOYSA-N 1 3 356.558 2.804 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000128329355 508578350 /nfs/dbraw/zinc/57/83/50/508578350.db2.gz HRWVZTQUHUSLEB-NQIIRXRSSA-N 1 3 372.557 2.807 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000128329355 508578353 /nfs/dbraw/zinc/57/83/53/508578353.db2.gz HRWVZTQUHUSLEB-NQIIRXRSSA-N 1 3 372.557 2.807 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000157683315 508596663 /nfs/dbraw/zinc/59/66/63/508596663.db2.gz DQJMAGYUAJWPQT-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000158093601 508656015 /nfs/dbraw/zinc/65/60/15/508656015.db2.gz IFDQBJXZRSLDDQ-NFAWXSAZSA-N 1 3 353.894 2.996 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000158093601 508656018 /nfs/dbraw/zinc/65/60/18/508656018.db2.gz IFDQBJXZRSLDDQ-NFAWXSAZSA-N 1 3 353.894 2.996 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000136945182 508727106 /nfs/dbraw/zinc/72/71/06/508727106.db2.gz UKJCRQHXHSPSAO-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158886545 508764454 /nfs/dbraw/zinc/76/44/54/508764454.db2.gz APTHOYGFRNDZMU-DOTOQJQBSA-N 1 3 359.514 2.660 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000154357036 508767661 /nfs/dbraw/zinc/76/76/61/508767661.db2.gz PWHQAJXJEGUJTK-MRXNPFEDSA-N 1 3 358.530 2.595 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000123987116 508767804 /nfs/dbraw/zinc/76/78/04/508767804.db2.gz ASMOITRPIIURLM-FPOVZHCZSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000123987116 508767806 /nfs/dbraw/zinc/76/78/06/508767806.db2.gz ASMOITRPIIURLM-FPOVZHCZSA-N 1 3 372.557 2.530 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154389613 508775169 /nfs/dbraw/zinc/77/51/69/508775169.db2.gz BPWRPVVYXFEWIZ-SFHVURJKSA-N 1 3 355.530 2.859 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000154450692 508787282 /nfs/dbraw/zinc/78/72/82/508787282.db2.gz WVIJWJLOQNNWGM-SFHVURJKSA-N 1 3 374.529 2.712 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NCC1CCN(Cc2cccs2)CC1 ZINC000139691072 508793178 /nfs/dbraw/zinc/79/31/78/508793178.db2.gz LKJJOJLKKMACJW-UHFFFAOYSA-N 1 3 364.559 2.745 20 0 FFADHO CCCOc1cccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000119679292 508842888 /nfs/dbraw/zinc/84/28/88/508842888.db2.gz KZQFKXYDCPXBNF-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO CCN(C(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C1CCCCC1 ZINC000155107741 508925202 /nfs/dbraw/zinc/92/52/02/508925202.db2.gz DSHWLEJLABNWMR-QZTJIDSGSA-N 1 3 367.578 2.581 20 0 FFADHO CN1CCO[C@@H]([C@H](NCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131393850 508926094 /nfs/dbraw/zinc/92/60/94/508926094.db2.gz IQNBMPGVXVVNRG-RTBURBONSA-N 1 3 351.922 2.643 20 0 FFADHO CC[NH+]1CCN(c2ccccc2CN2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000131928398 508982459 /nfs/dbraw/zinc/98/24/59/508982459.db2.gz JUNMFTZYDRWQLG-NRFANRHFSA-N 1 3 353.514 2.899 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000131928398 508982461 /nfs/dbraw/zinc/98/24/61/508982461.db2.gz JUNMFTZYDRWQLG-NRFANRHFSA-N 1 3 353.514 2.899 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000131928398 508982462 /nfs/dbraw/zinc/98/24/62/508982462.db2.gz JUNMFTZYDRWQLG-NRFANRHFSA-N 1 3 353.514 2.899 20 0 FFADHO CCN(CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000155579371 509030764 /nfs/dbraw/zinc/03/07/64/509030764.db2.gz JGYOEBAUNYQWRY-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000155705468 509055762 /nfs/dbraw/zinc/05/57/62/509055762.db2.gz VJCZZQLWUKXBFA-MOPGFXCFSA-N 1 3 355.530 2.608 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000120765691 509061254 /nfs/dbraw/zinc/06/12/54/509061254.db2.gz KCGPZRFYMNAYBV-RTWAWAEBSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000120765691 509061255 /nfs/dbraw/zinc/06/12/55/509061255.db2.gz KCGPZRFYMNAYBV-RTWAWAEBSA-N 1 3 372.557 2.928 20 0 FFADHO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000132878365 509086727 /nfs/dbraw/zinc/08/67/27/509086727.db2.gz MTQBBSDZTBYRQA-QZTJIDSGSA-N 1 3 362.514 2.863 20 0 FFADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000121157800 509141136 /nfs/dbraw/zinc/14/11/36/509141136.db2.gz KPTQSNMKRSEMQJ-INIZCTEOSA-N 1 3 367.559 2.852 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000175869964 509190485 /nfs/dbraw/zinc/19/04/85/509190485.db2.gz ZXNRHVRCNCXTPD-VAMGGRTRSA-N 1 3 358.530 2.823 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000248026930 509218390 /nfs/dbraw/zinc/21/83/90/509218390.db2.gz JSUOXEODNQHNKQ-HSALFYBXSA-N 1 3 356.514 2.702 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000172826461 509258350 /nfs/dbraw/zinc/25/83/50/509258350.db2.gz QBAOPWRQODLXBU-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000172826461 509258358 /nfs/dbraw/zinc/25/83/58/509258358.db2.gz QBAOPWRQODLXBU-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)N(C)C)cc1 ZINC000182498010 509271661 /nfs/dbraw/zinc/27/16/61/509271661.db2.gz MGOCYENBOSIKEQ-AABGKKOBSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)N(C)C)cc1 ZINC000182498010 509271665 /nfs/dbraw/zinc/27/16/65/509271665.db2.gz MGOCYENBOSIKEQ-AABGKKOBSA-N 1 3 358.530 2.723 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000267149399 509366715 /nfs/dbraw/zinc/36/67/15/509366715.db2.gz LZMPENWLGOMTBT-UHFFFAOYSA-N 1 3 359.514 2.764 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)o1 ZINC000182691893 509375831 /nfs/dbraw/zinc/37/58/31/509375831.db2.gz CTJOPPWUSZAMLZ-KRWDZBQOSA-N 1 3 364.534 2.926 20 0 FFADHO CC[C@H]([NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000248590457 509379420 /nfs/dbraw/zinc/37/94/20/509379420.db2.gz KTZMIKVHVRODFT-QMMLZNLJSA-N 1 3 373.541 2.703 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000227122074 509406356 /nfs/dbraw/zinc/40/63/56/509406356.db2.gz FNGVCRCTNXSRMK-WSTZPKSXSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000227122074 509406364 /nfs/dbraw/zinc/40/63/64/509406364.db2.gz FNGVCRCTNXSRMK-WSTZPKSXSA-N 1 3 360.546 2.579 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000163686705 509410985 /nfs/dbraw/zinc/41/09/85/509410985.db2.gz JODLVYFSIPPNRI-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCN1C ZINC000163927672 509442864 /nfs/dbraw/zinc/44/28/64/509442864.db2.gz KTOYYSLYSPOEOH-IRLDBZIGSA-N 1 3 358.574 2.657 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)[C@@H]1c1ccccc1 ZINC000179482357 509469097 /nfs/dbraw/zinc/46/90/97/509469097.db2.gz WTCIZLYBVOYVLR-UXHICEINSA-N 1 3 370.497 2.798 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176382425 509478838 /nfs/dbraw/zinc/47/88/38/509478838.db2.gz AALUQDOIQPKCEF-IAGOWNOFSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000176398592 509487806 /nfs/dbraw/zinc/48/78/06/509487806.db2.gz KIXMCTKXXQNTTE-RAFMOHDBSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000176398592 509487813 /nfs/dbraw/zinc/48/78/13/509487813.db2.gz KIXMCTKXXQNTTE-RAFMOHDBSA-N 1 3 358.530 2.912 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000176403330 509490983 /nfs/dbraw/zinc/49/09/83/509490983.db2.gz POQLRDJZKDFLBA-OTWHNJEPSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000176403330 509490990 /nfs/dbraw/zinc/49/09/90/509490990.db2.gz POQLRDJZKDFLBA-OTWHNJEPSA-N 1 3 350.551 2.767 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)c1cccc(OC)c1 ZINC000236887369 509527459 /nfs/dbraw/zinc/52/74/59/509527459.db2.gz GTFJJPFIXPLZQL-HXUWFJFHSA-N 1 3 355.482 2.967 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248913793 509541251 /nfs/dbraw/zinc/54/12/51/509541251.db2.gz VTNBFRUODIXYGO-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248913793 509541257 /nfs/dbraw/zinc/54/12/57/509541257.db2.gz VTNBFRUODIXYGO-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124205 509577473 /nfs/dbraw/zinc/57/74/73/509577473.db2.gz VUFKDGRLDBSEGJ-PVAVHDDUSA-N 1 3 369.431 2.957 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000173413785 509582186 /nfs/dbraw/zinc/58/21/86/509582186.db2.gz MRULTXPAQZBWJT-VQTJNVASSA-N 1 3 356.514 2.725 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccs1 ZINC000173422238 509588670 /nfs/dbraw/zinc/58/86/70/509588670.db2.gz GTAUZULVBFMLGW-JKSUJKDBSA-N 1 3 352.548 2.867 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccs1 ZINC000173422238 509588675 /nfs/dbraw/zinc/58/86/75/509588675.db2.gz GTAUZULVBFMLGW-JKSUJKDBSA-N 1 3 352.548 2.867 20 0 FFADHO CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000192670121 509591075 /nfs/dbraw/zinc/59/10/75/509591075.db2.gz KQZFAYBLJZBODO-NRFANRHFSA-N 1 3 355.526 2.984 20 0 FFADHO Cn1ncc(Cl)c1CNCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000249083728 509595800 /nfs/dbraw/zinc/59/58/00/509595800.db2.gz DTUGCPLSJDNVAJ-IBGZPJMESA-N 1 3 361.921 2.542 20 0 FFADHO Cn1ncc(Cl)c1CNCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000249083728 509595813 /nfs/dbraw/zinc/59/58/13/509595813.db2.gz DTUGCPLSJDNVAJ-IBGZPJMESA-N 1 3 361.921 2.542 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000237252414 509603074 /nfs/dbraw/zinc/60/30/74/509603074.db2.gz VUABCYFDQZYFCD-UHFFFAOYSA-N 1 3 366.509 2.865 20 0 FFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000192798802 509648421 /nfs/dbraw/zinc/64/84/21/509648421.db2.gz WTQXVRPMHNMFSY-QHCPKHFHSA-N 1 3 372.601 2.999 20 0 FFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000192798802 509648426 /nfs/dbraw/zinc/64/84/26/509648426.db2.gz WTQXVRPMHNMFSY-QHCPKHFHSA-N 1 3 372.601 2.999 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cc1Cl ZINC000168907147 509652640 /nfs/dbraw/zinc/65/26/40/509652640.db2.gz TUWJIQKCVCSPOT-HNNXBMFYSA-N 1 3 357.901 2.520 20 0 FFADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)s1 ZINC000168953817 509655800 /nfs/dbraw/zinc/65/58/00/509655800.db2.gz NKSRCVUHVLXMBH-HNNXBMFYSA-N 1 3 359.967 2.832 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000249431786 509678641 /nfs/dbraw/zinc/67/86/41/509678641.db2.gz JXPVVEZYTDYTLJ-MANSERQUSA-N 1 3 353.551 2.503 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH2+]C2CCN(C(C)C)CC2)c(C)c1 ZINC000173619307 509678643 /nfs/dbraw/zinc/67/86/43/509678643.db2.gz FQYMWBNGSIWOJB-MRXNPFEDSA-N 1 3 360.502 2.802 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000249436278 509680092 /nfs/dbraw/zinc/68/00/92/509680092.db2.gz SHJRTICYYSBZSZ-OBKDMQGPSA-N 1 3 367.578 2.891 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000193004252 509733499 /nfs/dbraw/zinc/73/34/99/509733499.db2.gz GPPGCNGASHGNMC-JOCHJYFZSA-N 1 3 373.541 2.915 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC000173740887 509748450 /nfs/dbraw/zinc/74/84/50/509748450.db2.gz UQEBKIQKNBEJTP-NQIIRXRSSA-N 1 3 372.557 2.818 20 0 FFADHO CC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000180115384 509760200 /nfs/dbraw/zinc/76/02/00/509760200.db2.gz BJKBJWNVOHULNN-OAQYLSRUSA-N 1 3 373.541 2.864 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238010651 509797347 /nfs/dbraw/zinc/79/73/47/509797347.db2.gz FQYVKOKFAPIUBD-NEWSRXKRSA-N 1 3 361.555 2.997 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000251676631 509816341 /nfs/dbraw/zinc/81/63/41/509816341.db2.gz MQJOCAFGTDAFHD-RTWAWAEBSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCc3nc4ccccc4n3C)CC2)C[C@H](C)O1 ZINC000265100063 509861649 /nfs/dbraw/zinc/86/16/49/509861649.db2.gz RTKLWJKKJVOYRT-HDICACEKSA-N 1 3 370.541 2.937 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000190000522 509876533 /nfs/dbraw/zinc/87/65/33/509876533.db2.gz YAXIDDOJZANHGQ-DNVCBOLYSA-N 1 3 366.477 2.839 20 0 FFADHO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000177109350 509877276 /nfs/dbraw/zinc/87/72/76/509877276.db2.gz SFGRZDKWVUPPMA-UHFFFAOYSA-N 1 3 373.541 2.855 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245397481 509901227 /nfs/dbraw/zinc/90/12/27/509901227.db2.gz PLCZDCWBDKCJJW-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245412223 509914020 /nfs/dbraw/zinc/91/40/20/509914020.db2.gz AERWNQDEXDBRSK-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245412223 509914024 /nfs/dbraw/zinc/91/40/24/509914024.db2.gz AERWNQDEXDBRSK-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000186855667 509915159 /nfs/dbraw/zinc/91/51/59/509915159.db2.gz GECVTMDDRVBBRP-HSALFYBXSA-N 1 3 364.555 2.702 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174106190 509949596 /nfs/dbraw/zinc/94/95/96/509949596.db2.gz LKXFIISBUKRSEX-PZJWPPBQSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000261607712 509998393 /nfs/dbraw/zinc/99/83/93/509998393.db2.gz AGXCQIOACAPWRB-HFTRVMKXSA-N 1 3 369.431 2.637 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)C2CCC(C)CC2)[C@H](C)C1 ZINC000187013729 510006626 /nfs/dbraw/zinc/00/66/26/510006626.db2.gz DLPZYSMOXUEENR-NBDWZHNGSA-N 1 3 367.578 2.750 20 0 FFADHO C[NH2+][C@H](C)Cc1noc([C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000261629147 510006685 /nfs/dbraw/zinc/00/66/85/510006685.db2.gz CJAUXZMRJBKDDJ-CXAGYDPISA-N 1 3 368.403 2.926 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000174253259 510024307 /nfs/dbraw/zinc/02/43/07/510024307.db2.gz HDHQVMHXCJIYBT-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CCN1C ZINC000245602049 510032223 /nfs/dbraw/zinc/03/22/23/510032223.db2.gz PEFQPBSUBISAGI-AXUOBQJMSA-N 1 3 351.922 2.784 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C[NH+]1CCCCC1 ZINC000245609389 510036907 /nfs/dbraw/zinc/03/69/07/510036907.db2.gz BECUQCZVFJSHIB-HOJAQTOUSA-N 1 3 358.530 2.853 20 0 FFADHO CCCc1csc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000180658873 510039881 /nfs/dbraw/zinc/03/98/81/510039881.db2.gz QWHJRIVDLLDRBX-MRXNPFEDSA-N 1 3 367.563 2.975 20 0 FFADHO CCCc1csc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000180658873 510039886 /nfs/dbraw/zinc/03/98/86/510039886.db2.gz QWHJRIVDLLDRBX-MRXNPFEDSA-N 1 3 367.563 2.975 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 ZINC000261818048 510075263 /nfs/dbraw/zinc/07/52/63/510075263.db2.gz WIVCOGDZLJGGCW-GFCCVEGCSA-N 1 3 351.903 2.842 20 0 FFADHO C[NH+]1CCC(N2CCC(Nc3cnc4cc(F)c(F)cc4n3)CC2)CC1 ZINC000265509721 510093337 /nfs/dbraw/zinc/09/33/37/510093337.db2.gz KCOPXIWBKPCGES-UHFFFAOYSA-N 1 3 361.440 2.879 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261864295 510093625 /nfs/dbraw/zinc/09/36/25/510093625.db2.gz SMPICGROBFBCKS-LZJOCLMNSA-N 1 3 373.541 2.535 20 0 FFADHO CC(C)Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261876807 510097325 /nfs/dbraw/zinc/09/73/25/510097325.db2.gz OTSVPVZOKFTXHR-RTWAWAEBSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268852002 510100711 /nfs/dbraw/zinc/10/07/11/510100711.db2.gz WQRVUEQQWHFXMY-STQMWFEESA-N 1 3 358.454 2.818 20 0 FFADHO C[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000261920853 510115576 /nfs/dbraw/zinc/11/55/76/510115576.db2.gz YUCZJPZYIBJHGN-LJQANCHMSA-N 1 3 369.553 2.932 20 0 FFADHO CCCc1cnc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000180821395 510129032 /nfs/dbraw/zinc/12/90/32/510129032.db2.gz YRVHUNFUTSLYTD-OAHLLOKOSA-N 1 3 367.563 2.975 20 0 FFADHO CCCc1cnc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000180821395 510129041 /nfs/dbraw/zinc/12/90/41/510129041.db2.gz YRVHUNFUTSLYTD-OAHLLOKOSA-N 1 3 367.563 2.975 20 0 FFADHO Brc1ccc(CN2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000261986716 510139786 /nfs/dbraw/zinc/13/97/86/510139786.db2.gz RYEHMNNOMCSFFE-UHFFFAOYSA-N 1 3 352.320 2.566 20 0 FFADHO c1ccc(COc2cccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262110237 510181636 /nfs/dbraw/zinc/18/16/36/510181636.db2.gz KJAJXGWOXSPLPG-NRFANRHFSA-N 1 3 351.494 2.745 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000245883141 510184895 /nfs/dbraw/zinc/18/48/95/510184895.db2.gz LFAHJVWIMMBMQT-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000245883141 510184901 /nfs/dbraw/zinc/18/49/01/510184901.db2.gz LFAHJVWIMMBMQT-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000269035678 510203673 /nfs/dbraw/zinc/20/36/73/510203673.db2.gz VNPPCNVFGFIUQX-KRWDZBQOSA-N 1 3 361.530 2.791 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245918620 510204676 /nfs/dbraw/zinc/20/46/76/510204676.db2.gz ZIFYELVMXNTIIT-MKXGPGLRSA-N 1 3 350.551 2.623 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000246015343 510251203 /nfs/dbraw/zinc/25/12/03/510251203.db2.gz UIEGTNQZLHNUBK-LEWJYISDSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000246015343 510251207 /nfs/dbraw/zinc/25/12/07/510251207.db2.gz UIEGTNQZLHNUBK-LEWJYISDSA-N 1 3 370.541 2.561 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@H]1c1ccccc1 ZINC000246053969 510267470 /nfs/dbraw/zinc/26/74/70/510267470.db2.gz YMXRXGSCMSZQRC-IYWMVGAKSA-N 1 3 356.514 2.558 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@H]1c1ccccc1 ZINC000246053969 510267483 /nfs/dbraw/zinc/26/74/83/510267483.db2.gz YMXRXGSCMSZQRC-IYWMVGAKSA-N 1 3 356.514 2.558 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000177855011 510290879 /nfs/dbraw/zinc/29/08/79/510290879.db2.gz RXGMYWYEIDXQCC-SFHVURJKSA-N 1 3 372.557 2.807 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000177855011 510290886 /nfs/dbraw/zinc/29/08/86/510290886.db2.gz RXGMYWYEIDXQCC-SFHVURJKSA-N 1 3 372.557 2.807 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269243115 510305444 /nfs/dbraw/zinc/30/54/44/510305444.db2.gz CBQCAIDPVHGSKD-KXEVLKFVSA-N 1 3 355.526 2.934 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171822974 510394034 /nfs/dbraw/zinc/39/40/34/510394034.db2.gz LVXLZCCMNMQLAW-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000178059526 510408174 /nfs/dbraw/zinc/40/81/74/510408174.db2.gz ZPXHYKIOVAEZBO-IAGOWNOFSA-N 1 3 362.518 2.759 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C[N@@H+]1C1CC1 ZINC000246347962 510440337 /nfs/dbraw/zinc/44/03/37/510440337.db2.gz OWQYDOWKHAXIJP-BFYDXBDKSA-N 1 3 362.543 2.809 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C[N@H+]1C1CC1 ZINC000246347962 510440340 /nfs/dbraw/zinc/44/03/40/510440340.db2.gz OWQYDOWKHAXIJP-BFYDXBDKSA-N 1 3 362.543 2.809 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246365378 510448908 /nfs/dbraw/zinc/44/89/08/510448908.db2.gz GXVPPPAWUPHGEJ-LEWJYISDSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246365378 510448909 /nfs/dbraw/zinc/44/89/09/510448909.db2.gz GXVPPPAWUPHGEJ-LEWJYISDSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187817275 510452879 /nfs/dbraw/zinc/45/28/79/510452879.db2.gz IJRSZTBTOFBHRY-WOJBJXKFSA-N 1 3 360.546 2.736 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C12CCC2 ZINC000181541657 510463149 /nfs/dbraw/zinc/46/31/49/510463149.db2.gz WXTSKLODMLIPRK-SFTDATJTSA-N 1 3 357.542 2.871 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000175162379 510511070 /nfs/dbraw/zinc/51/10/70/510511070.db2.gz DMJWBZOGDSIORD-UXHICEINSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000269718529 510525118 /nfs/dbraw/zinc/52/51/18/510525118.db2.gz SVXNBAMUFHPVKM-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000269718529 510525122 /nfs/dbraw/zinc/52/51/22/510525122.db2.gz SVXNBAMUFHPVKM-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000187973674 510528476 /nfs/dbraw/zinc/52/84/76/510528476.db2.gz JBLMWLSYYHAJTF-IAGOWNOFSA-N 1 3 350.551 2.813 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000246611799 510581872 /nfs/dbraw/zinc/58/18/72/510581872.db2.gz BPSMNGIWNHYAMA-CMKODMSKSA-N 1 3 372.557 2.927 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270031763 510646561 /nfs/dbraw/zinc/64/65/61/510646561.db2.gz BEAHZDSNHIJMJJ-FQEVSTJZSA-N 1 3 358.530 2.622 20 0 FFADHO C[C@H](CCNC(=O)N(C)C[C@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640951 510707462 /nfs/dbraw/zinc/70/74/62/510707462.db2.gz KPTPQZUAEXEZDP-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO C[C@H](CCNC(=O)N(C)C[C@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640951 510707464 /nfs/dbraw/zinc/70/74/64/510707464.db2.gz KPTPQZUAEXEZDP-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000266675936 510722480 /nfs/dbraw/zinc/72/24/80/510722480.db2.gz PFEFYNAVJXADFA-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000266675936 510722484 /nfs/dbraw/zinc/72/24/84/510722484.db2.gz PFEFYNAVJXADFA-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1C ZINC000266678136 510723967 /nfs/dbraw/zinc/72/39/67/510723967.db2.gz CBGRWPDDWFZRCL-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1C ZINC000266678136 510723974 /nfs/dbraw/zinc/72/39/74/510723974.db2.gz CBGRWPDDWFZRCL-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000246880956 510724543 /nfs/dbraw/zinc/72/45/43/510724543.db2.gz DADMCHHKCHMPCS-NTLWEQJWSA-N 1 3 373.541 2.756 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000246880869 510725124 /nfs/dbraw/zinc/72/51/24/510725124.db2.gz BPZBNSVYOXGWRO-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000246880869 510725130 /nfs/dbraw/zinc/72/51/30/510725130.db2.gz BPZBNSVYOXGWRO-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000266720361 510749025 /nfs/dbraw/zinc/74/90/25/510749025.db2.gz SUQGIOJPCKWVQF-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000266720361 510749031 /nfs/dbraw/zinc/74/90/31/510749031.db2.gz SUQGIOJPCKWVQF-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CC(CN1CCC(c2ncc[nH]2)CC1)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266759225 510770083 /nfs/dbraw/zinc/77/00/83/510770083.db2.gz PTNRWKRWXBDOLZ-UHFFFAOYSA-N 1 3 356.518 2.828 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)C1CC1 ZINC000185375861 510827589 /nfs/dbraw/zinc/82/75/89/510827589.db2.gz PKGQQSFURCMYFS-HXUWFJFHSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247076348 510827773 /nfs/dbraw/zinc/82/77/73/510827773.db2.gz QOKOZDMVCIKHKO-BRWVUGGUSA-N 1 3 368.543 2.630 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000247304135 510856158 /nfs/dbraw/zinc/85/61/58/510856158.db2.gz IWVUZKWIJQOGNA-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000247304135 510856159 /nfs/dbraw/zinc/85/61/59/510856159.db2.gz IWVUZKWIJQOGNA-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000247336081 510857618 /nfs/dbraw/zinc/85/76/18/510857618.db2.gz JSURPGMKPZBIQI-GUDVDZBRSA-N 1 3 350.551 2.767 20 0 FFADHO CN(CCCNC(=O)c1cccn1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000360371039 510903101 /nfs/dbraw/zinc/90/31/01/510903101.db2.gz AOBYWUZRGOOJQU-UHFFFAOYSA-N 1 3 354.498 2.665 20 0 FFADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)nn1C ZINC000282355761 510943906 /nfs/dbraw/zinc/94/39/06/510943906.db2.gz VXLLLQSBFSALOT-WIYYLYMNSA-N 1 3 355.530 2.758 20 0 FFADHO C[NH+]1CCC(O)(CNCc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000270674248 510945812 /nfs/dbraw/zinc/94/58/12/510945812.db2.gz XAZBHLMEENYDGI-UHFFFAOYSA-N 1 3 370.541 2.775 20 0 FFADHO CC(=O)Nc1cccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000294088889 510951485 /nfs/dbraw/zinc/95/14/85/510951485.db2.gz AYLAYUDTLQTSGX-UHFFFAOYSA-N 1 3 354.454 2.677 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000297631279 511015726 /nfs/dbraw/zinc/01/57/26/511015726.db2.gz URCFBBNUOODLPX-FBVQUNGASA-N 1 3 364.921 2.867 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000297631279 511015730 /nfs/dbraw/zinc/01/57/30/511015730.db2.gz URCFBBNUOODLPX-FBVQUNGASA-N 1 3 364.921 2.867 20 0 FFADHO Cc1ccccc1NC(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270916877 511025792 /nfs/dbraw/zinc/02/57/92/511025792.db2.gz OOBDJISOTUTILZ-UHFFFAOYSA-N 1 3 372.557 2.814 20 0 FFADHO Cc1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000282589662 511036586 /nfs/dbraw/zinc/03/65/86/511036586.db2.gz GWADEUZHRNFBOV-GOSISDBHSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1ccc(CNCCC[N@H+]2CCCO[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000282589662 511036587 /nfs/dbraw/zinc/03/65/87/511036587.db2.gz GWADEUZHRNFBOV-GOSISDBHSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(OCCN(C)C)c1 ZINC000361461542 511054889 /nfs/dbraw/zinc/05/48/89/511054889.db2.gz LEIUQGYOAFBDBP-IRXDYDNUSA-N 1 3 360.502 2.684 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(OCCN(C)C)c1 ZINC000361461542 511054893 /nfs/dbraw/zinc/05/48/93/511054893.db2.gz LEIUQGYOAFBDBP-IRXDYDNUSA-N 1 3 360.502 2.684 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361719518 511083950 /nfs/dbraw/zinc/08/39/50/511083950.db2.gz USCVLCMCABGYNA-CTNGQTDRSA-N 1 3 373.566 2.596 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361719518 511083958 /nfs/dbraw/zinc/08/39/58/511083958.db2.gz USCVLCMCABGYNA-CTNGQTDRSA-N 1 3 373.566 2.596 20 0 FFADHO C[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000298117461 511181147 /nfs/dbraw/zinc/18/11/47/511181147.db2.gz XVHXEHJORGNEHE-OXQOHEQNSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000298341930 511251782 /nfs/dbraw/zinc/25/17/82/511251782.db2.gz JIYKUUHOXLDHIK-OAHLLOKOSA-N 1 3 359.495 2.805 20 0 FFADHO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(F)c(CN[C@@H](CCO)C(C)C)c1 ZINC000295065822 511268840 /nfs/dbraw/zinc/26/88/40/511268840.db2.gz VUTKDMYEOFCGOV-UXHICEINSA-N 1 3 354.510 2.819 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCN3CCC4(CCCCC4)CC3)C[C@@H]21 ZINC000333793285 511358446 /nfs/dbraw/zinc/35/84/46/511358446.db2.gz MTDQLBSCSCZZDH-GBESFXJTSA-N 1 3 362.562 2.802 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363250097 511443218 /nfs/dbraw/zinc/44/32/18/511443218.db2.gz IUSPYWZVSWLCRV-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363250097 511443223 /nfs/dbraw/zinc/44/32/23/511443223.db2.gz IUSPYWZVSWLCRV-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO CNC(=O)c1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000284029698 511580786 /nfs/dbraw/zinc/58/07/86/511580786.db2.gz OCTWQWSURKQJKT-UHFFFAOYSA-N 1 3 367.493 2.809 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]c4nccnc34)CC2)C[C@H](C)O1 ZINC000365671134 511592552 /nfs/dbraw/zinc/59/25/52/511592552.db2.gz YQYNUIKMMOFPHX-IYBDPMFKSA-N 1 3 357.502 2.621 20 0 FFADHO Cc1ccccc1CCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000296174222 511644069 /nfs/dbraw/zinc/64/40/69/511644069.db2.gz AQXKNENFDURADF-UHFFFAOYSA-N 1 3 372.557 2.738 20 0 FFADHO CC[C@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[NH+](CC)CC ZINC000274145379 511731533 /nfs/dbraw/zinc/73/15/33/511731533.db2.gz KGZYKRBMADURON-HXUWFJFHSA-N 1 3 360.546 2.667 20 0 FFADHO Cc1nccn1CCCN1[C@H](C)C[N@@H+](CCCn2ccnc2C)C[C@@H]1C ZINC000281212930 511761817 /nfs/dbraw/zinc/76/18/17/511761817.db2.gz DGZAQKDFYWVDEP-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1[C@H](C)C[N@H+](CCCn2ccnc2C)C[C@@H]1C ZINC000281212930 511761819 /nfs/dbraw/zinc/76/18/19/511761819.db2.gz DGZAQKDFYWVDEP-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1C[C@@H](C)[N@H+](CCCn2ccnc2C)[C@@H](C)C1 ZINC000281212930 511761825 /nfs/dbraw/zinc/76/18/25/511761825.db2.gz DGZAQKDFYWVDEP-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1C[C@@H](C)[N@@H+](CCCn2ccnc2C)[C@@H](C)C1 ZINC000281212930 511761828 /nfs/dbraw/zinc/76/18/28/511761828.db2.gz DGZAQKDFYWVDEP-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001124 511818046 /nfs/dbraw/zinc/81/80/46/511818046.db2.gz NRWNLDQBHGFKQW-DOMZBBRYSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001124 511818051 /nfs/dbraw/zinc/81/80/51/511818051.db2.gz NRWNLDQBHGFKQW-DOMZBBRYSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001124 511818057 /nfs/dbraw/zinc/81/80/57/511818057.db2.gz NRWNLDQBHGFKQW-DOMZBBRYSA-N 1 3 359.297 2.807 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](CCN3CCc4ccccc43)CC2)CC1 ZINC000293175737 511869417 /nfs/dbraw/zinc/86/94/17/511869417.db2.gz NOYVNXBUUOKEEQ-UHFFFAOYSA-N 1 3 356.558 2.540 20 0 FFADHO CC[C@@]1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000274559035 511873465 /nfs/dbraw/zinc/87/34/65/511873465.db2.gz FRZLJVFGDIHLLM-QFIPXVFZSA-N 1 3 373.541 2.706 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274947707 511996950 /nfs/dbraw/zinc/99/69/50/511996950.db2.gz URRHKCQUELLVNX-IRLDBZIGSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293574092 512013672 /nfs/dbraw/zinc/01/36/72/512013672.db2.gz DORDRLNHTDYJFG-KRWDZBQOSA-N 1 3 374.529 2.710 20 0 FFADHO COC(=O)c1coc([C@@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000375723032 512473341 /nfs/dbraw/zinc/47/33/41/512473341.db2.gz CHENXYBUNGALSI-MRXNPFEDSA-N 1 3 363.502 2.667 20 0 FFADHO O=C1NCCN1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411179116 512506279 /nfs/dbraw/zinc/50/62/79/512506279.db2.gz KIALLKVDAUWZIQ-UHFFFAOYSA-N 1 3 356.514 2.662 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCN1C1CCOCC1 ZINC000373875449 512548842 /nfs/dbraw/zinc/54/88/42/512548842.db2.gz BZHHZZCXUCYLPH-VQTJNVASSA-N 1 3 363.546 2.543 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCN1C1CCOCC1 ZINC000373875449 512548846 /nfs/dbraw/zinc/54/88/46/512548846.db2.gz BZHHZZCXUCYLPH-VQTJNVASSA-N 1 3 363.546 2.543 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000367918625 512723835 /nfs/dbraw/zinc/72/38/35/512723835.db2.gz YMJVTLLNHQXSPK-AFMYVXGZSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H]1C[N@H+](CCSc2ccccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000374296807 512751608 /nfs/dbraw/zinc/75/16/08/512751608.db2.gz OWXAUSIITQBCDK-AEFFLSMTSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@@H]1C[N@@H+](CCSc2ccccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000374296807 512751613 /nfs/dbraw/zinc/75/16/13/512751613.db2.gz OWXAUSIITQBCDK-AEFFLSMTSA-N 1 3 351.535 2.876 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000376340680 512776088 /nfs/dbraw/zinc/77/60/88/512776088.db2.gz XQVMVJDGHBRMEN-XLIONFOSSA-N 1 3 361.530 2.974 20 0 FFADHO O[C@H](COCc1ccco1)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383736724 512881959 /nfs/dbraw/zinc/88/19/59/512881959.db2.gz ABYBEPXNFNPAAQ-NJYVYQBISA-N 1 3 370.493 2.611 20 0 FFADHO O[C@H](COCc1ccco1)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383736724 512881962 /nfs/dbraw/zinc/88/19/62/512881962.db2.gz ABYBEPXNFNPAAQ-NJYVYQBISA-N 1 3 370.493 2.611 20 0 FFADHO CO[C@](C)([C@@H](C)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000411948041 512885614 /nfs/dbraw/zinc/88/56/14/512885614.db2.gz MSIPNESCEGYIRC-VGOFRKELSA-N 1 3 373.541 2.692 20 0 FFADHO [NH3+]CC1(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCCCC1 ZINC000391005822 512913561 /nfs/dbraw/zinc/91/35/61/512913561.db2.gz HQJAPXLVEVVKDJ-HXUWFJFHSA-N 1 3 373.541 2.693 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000370560368 512992801 /nfs/dbraw/zinc/99/28/01/512992801.db2.gz CIFVSTXAWNHGKH-VCOUNFBDSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370705626 513063501 /nfs/dbraw/zinc/06/35/01/513063501.db2.gz HWXTWWLWSZIHEP-QFBILLFUSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370705626 513063504 /nfs/dbraw/zinc/06/35/04/513063504.db2.gz HWXTWWLWSZIHEP-QFBILLFUSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000370710427 513064520 /nfs/dbraw/zinc/06/45/20/513064520.db2.gz UAPYGRPVSMPFDP-PXNSSMCTSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000370710427 513064524 /nfs/dbraw/zinc/06/45/24/513064524.db2.gz UAPYGRPVSMPFDP-PXNSSMCTSA-N 1 3 357.542 2.858 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)C2(N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772591 513093413 /nfs/dbraw/zinc/09/34/13/513093413.db2.gz LJXALMXCWZLCNU-UKRRQHHQSA-N 1 3 355.404 2.696 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)C2(N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772591 513093418 /nfs/dbraw/zinc/09/34/18/513093418.db2.gz LJXALMXCWZLCNU-UKRRQHHQSA-N 1 3 355.404 2.696 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000417686905 513162409 /nfs/dbraw/zinc/16/24/09/513162409.db2.gz GVWFXFXRXAGVEO-QZTJIDSGSA-N 1 3 358.530 2.853 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000417686904 513162827 /nfs/dbraw/zinc/16/28/27/513162827.db2.gz GVWFXFXRXAGVEO-MSOLQXFVSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417690019 513164337 /nfs/dbraw/zinc/16/43/37/513164337.db2.gz KRRMDLPVPKQVKT-ZHALLVOQSA-N 1 3 358.530 2.838 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000417741456 513189942 /nfs/dbraw/zinc/18/99/42/513189942.db2.gz ULXBELPAHXADLJ-JFIYKMOQSA-N 1 3 364.559 2.962 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000439831832 513192202 /nfs/dbraw/zinc/19/22/02/513192202.db2.gz KJSXZJZJVBFGDN-NRFANRHFSA-N 1 3 373.541 2.693 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000439831832 513192209 /nfs/dbraw/zinc/19/22/09/513192209.db2.gz KJSXZJZJVBFGDN-NRFANRHFSA-N 1 3 373.541 2.693 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433961366 513200423 /nfs/dbraw/zinc/20/04/23/513200423.db2.gz IFNIOYKOZPTDKV-MJGOQNOKSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433961366 513200428 /nfs/dbraw/zinc/20/04/28/513200428.db2.gz IFNIOYKOZPTDKV-MJGOQNOKSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](CCNC(=O)NC[C@@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000417815480 513218696 /nfs/dbraw/zinc/21/86/96/513218696.db2.gz ORAQMAFOKJNECM-YLJYHZDGSA-N 1 3 354.498 2.896 20 0 FFADHO C[C@H](CCNC(=O)NC[C@@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417815480 513218702 /nfs/dbraw/zinc/21/87/02/513218702.db2.gz ORAQMAFOKJNECM-YLJYHZDGSA-N 1 3 354.498 2.896 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nsc2ccccc21 ZINC000424643596 513220314 /nfs/dbraw/zinc/22/03/14/513220314.db2.gz QUFNJWCVSFDXCB-INIZCTEOSA-N 1 3 374.554 2.713 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nsc2ccccc21 ZINC000424643596 513220321 /nfs/dbraw/zinc/22/03/21/513220321.db2.gz QUFNJWCVSFDXCB-INIZCTEOSA-N 1 3 374.554 2.713 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446287007 513227314 /nfs/dbraw/zinc/22/73/14/513227314.db2.gz GMXUWXMVFCTAPR-CNNODRBYSA-N 1 3 373.541 2.677 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000417847456 513234417 /nfs/dbraw/zinc/23/44/17/513234417.db2.gz URPCJSCOFFGVPJ-KAGYGMCKSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN[C@@H](C)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000417933540 513285725 /nfs/dbraw/zinc/28/57/25/513285725.db2.gz XPYLDWFKJPZEHV-DOADOZAASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN[C@@H](C)[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000417933540 513285728 /nfs/dbraw/zinc/28/57/28/513285728.db2.gz XPYLDWFKJPZEHV-DOADOZAASA-N 1 3 358.530 2.679 20 0 FFADHO Cc1cc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000417939116 513291942 /nfs/dbraw/zinc/29/19/42/513291942.db2.gz KBDFSEAFLMGNBB-UHFFFAOYSA-N 1 3 356.514 2.889 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)c2)CC1 ZINC000415499084 513294724 /nfs/dbraw/zinc/29/47/24/513294724.db2.gz KQKVYFZRXNCTNB-FQEVSTJZSA-N 1 3 361.534 2.714 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418006331 513330128 /nfs/dbraw/zinc/33/01/28/513330128.db2.gz DYZPPTFHTATKIG-NQIIRXRSSA-N 1 3 366.509 2.677 20 0 FFADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1OC ZINC000429299969 513333720 /nfs/dbraw/zinc/33/37/20/513333720.db2.gz HRJHYKWIEFGBAD-OTWHNJEPSA-N 1 3 361.530 2.589 20 0 FFADHO COC[C@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000446819482 513343726 /nfs/dbraw/zinc/34/37/26/513343726.db2.gz YBTVAGNLHYVWCE-SFTDATJTSA-N 1 3 373.541 2.679 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418111077 513376334 /nfs/dbraw/zinc/37/63/34/513376334.db2.gz XFTHQXSTTWKJAG-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1 ZINC000450878211 513380446 /nfs/dbraw/zinc/38/04/46/513380446.db2.gz IUZBAGULSXUIFM-LTDCPUDJSA-N 1 3 366.933 2.745 20 0 FFADHO C[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1 ZINC000450878211 513380449 /nfs/dbraw/zinc/38/04/49/513380449.db2.gz IUZBAGULSXUIFM-LTDCPUDJSA-N 1 3 366.933 2.745 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000418131449 513384150 /nfs/dbraw/zinc/38/41/50/513384150.db2.gz DFNQYRLLLJFYPA-WFXMLNOXSA-N 1 3 372.557 2.961 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000418159640 513398236 /nfs/dbraw/zinc/39/82/36/513398236.db2.gz ZEVBSOYROAHELX-PZJWPPBQSA-N 1 3 358.530 2.586 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccco1 ZINC000418168093 513402763 /nfs/dbraw/zinc/40/27/63/513402763.db2.gz NVOFMCLMKTWCTO-SZMVWBNQSA-N 1 3 362.518 2.740 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)N(C)C)cc1 ZINC000418199877 513417303 /nfs/dbraw/zinc/41/73/03/513417303.db2.gz XUJHGMPTKYRVJM-AHRSYUTCSA-N 1 3 360.546 2.867 20 0 FFADHO CCN(Cc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1)C1CC1 ZINC000429609883 513421630 /nfs/dbraw/zinc/42/16/30/513421630.db2.gz JJNNYXHFYWUYPX-UHFFFAOYSA-N 1 3 359.514 2.641 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000415802721 513427815 /nfs/dbraw/zinc/42/78/15/513427815.db2.gz IRFXEGMFUNRGHV-UHFFFAOYSA-N 1 3 354.882 2.672 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418295447 513455084 /nfs/dbraw/zinc/45/50/84/513455084.db2.gz JZHIHDHHNWPWKE-UHFFFAOYSA-N 1 3 368.472 2.700 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000434902233 513461688 /nfs/dbraw/zinc/46/16/88/513461688.db2.gz BJTWMGVWQVEOBH-JOCHJYFZSA-N 1 3 357.542 2.932 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc3c(c2)CNCC3)cc1 ZINC000415884298 513462145 /nfs/dbraw/zinc/46/21/45/513462145.db2.gz PKMNBWNPLXCPAO-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418330410 513467156 /nfs/dbraw/zinc/46/71/56/513467156.db2.gz BSZVZWNIZOFYLQ-NSHGMRRFSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccc([C@H](CNC(=O)Nc2ccc(OCC[NH3+])cc2)N(C)C)cc1 ZINC000415932705 513485482 /nfs/dbraw/zinc/48/54/82/513485482.db2.gz DTAIZLIWKIIIRP-IBGZPJMESA-N 1 3 356.470 2.757 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418368439 513486223 /nfs/dbraw/zinc/48/62/23/513486223.db2.gz RZAYFBUWJLYTQY-LJQANCHMSA-N 1 3 362.518 2.793 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000415933709 513487306 /nfs/dbraw/zinc/48/73/06/513487306.db2.gz QJCRXJXOOPMFNQ-MRXNPFEDSA-N 1 3 360.502 2.513 20 0 FFADHO CCCN(C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418374515 513488730 /nfs/dbraw/zinc/48/87/30/513488730.db2.gz CUJNDZVZBNLOCF-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000418402099 513495996 /nfs/dbraw/zinc/49/59/96/513495996.db2.gz AXWSOZPCNZWVHF-RLLQIKCJSA-N 1 3 358.530 2.810 20 0 FFADHO [NH3+]Cc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc(C(F)(F)F)c1 ZINC000415968372 513506164 /nfs/dbraw/zinc/50/61/64/513506164.db2.gz IXPNCJQREUVMFK-OAHLLOKOSA-N 1 3 354.376 2.642 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418465448 513522400 /nfs/dbraw/zinc/52/24/00/513522400.db2.gz MYGYILZCNZLFKJ-SFHVURJKSA-N 1 3 361.534 2.847 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418496332 513533639 /nfs/dbraw/zinc/53/36/39/513533639.db2.gz DVCZEAHZMNHSSP-FQEVSTJZSA-N 1 3 354.498 2.823 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503396 513536592 /nfs/dbraw/zinc/53/65/92/513536592.db2.gz YKILEICZZWQFSL-UXHICEINSA-N 1 3 354.498 2.965 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503398 513536767 /nfs/dbraw/zinc/53/67/67/513536767.db2.gz YKILEICZZWQFSL-WOJBJXKFSA-N 1 3 354.498 2.965 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000418579170 513565309 /nfs/dbraw/zinc/56/53/09/513565309.db2.gz JQXZFTBORDXCOD-UHFFFAOYSA-N 1 3 366.509 2.872 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418592176 513569514 /nfs/dbraw/zinc/56/95/14/513569514.db2.gz LAALFYYUFZLGFE-UMGGQSCQSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451187192 513574920 /nfs/dbraw/zinc/57/49/20/513574920.db2.gz OSJUPKINDRGHSA-LZJOCLMNSA-N 1 3 355.526 2.996 20 0 FFADHO [NH3+]CCC[C@@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000418636509 513585246 /nfs/dbraw/zinc/58/52/46/513585246.db2.gz MDGONJRNRGYMGV-WOJBJXKFSA-N 1 3 352.482 2.653 20 0 FFADHO [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000418636307 513585716 /nfs/dbraw/zinc/58/57/16/513585716.db2.gz MDGONJRNRGYMGV-UXHICEINSA-N 1 3 352.482 2.653 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418649097 513592285 /nfs/dbraw/zinc/59/22/85/513592285.db2.gz VQVRQUUAGVLAMQ-UHFFFAOYSA-N 1 3 370.541 2.646 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000418657783 513597643 /nfs/dbraw/zinc/59/76/43/513597643.db2.gz UXNYGMVVHVYJLQ-YLJYHZDGSA-N 1 3 358.530 2.622 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000418657783 513597651 /nfs/dbraw/zinc/59/76/51/513597651.db2.gz UXNYGMVVHVYJLQ-YLJYHZDGSA-N 1 3 358.530 2.622 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418691929 513615483 /nfs/dbraw/zinc/61/54/83/513615483.db2.gz RLKAVXUAQHMMJY-RXVVDRJESA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418713407 513619768 /nfs/dbraw/zinc/61/97/68/513619768.db2.gz XYCKYVVDXBDBMS-STQMWFEESA-N 1 3 360.424 2.514 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000418715239 513620601 /nfs/dbraw/zinc/62/06/01/513620601.db2.gz IKNZJIBHHLDVLX-LEWJYISDSA-N 1 3 372.557 2.854 20 0 FFADHO CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000418741324 513632536 /nfs/dbraw/zinc/63/25/36/513632536.db2.gz AQJWBLGMMILTBR-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1)CC(C)C ZINC000418757491 513642117 /nfs/dbraw/zinc/64/21/17/513642117.db2.gz JIXBHDVETWXLQK-KRWDZBQOSA-N 1 3 374.520 2.773 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1)CC(C)C ZINC000418757491 513642125 /nfs/dbraw/zinc/64/21/25/513642125.db2.gz JIXBHDVETWXLQK-KRWDZBQOSA-N 1 3 374.520 2.773 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425650106 513678901 /nfs/dbraw/zinc/67/89/01/513678901.db2.gz KRIHJOLCLPQERA-VQTJNVASSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000430542064 513682050 /nfs/dbraw/zinc/68/20/50/513682050.db2.gz BRMXLOIXBOENHW-STQMWFEESA-N 1 3 354.292 2.837 20 0 FFADHO [NH3+]CC1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000430615483 513703944 /nfs/dbraw/zinc/70/39/44/513703944.db2.gz BSIMKARXPLYIJO-UHFFFAOYSA-N 1 3 369.431 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1cccc(OC)c1 ZINC000435889807 513708957 /nfs/dbraw/zinc/70/89/57/513708957.db2.gz QEXIJYHCBGDFQS-YFVAEKQCSA-N 1 3 359.514 2.584 20 0 FFADHO C[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425726023 513717818 /nfs/dbraw/zinc/71/78/18/513717818.db2.gz OBEAVDLQBGGIKZ-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425726023 513717822 /nfs/dbraw/zinc/71/78/22/513717822.db2.gz OBEAVDLQBGGIKZ-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000448257903 513720444 /nfs/dbraw/zinc/72/04/44/513720444.db2.gz SPDTUUYWIGJIRF-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(Br)cc1F ZINC000442759495 513772640 /nfs/dbraw/zinc/77/26/40/513772640.db2.gz RCQUFODVMRVITR-MNOVXSKESA-N 1 3 358.255 2.586 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000443060987 513858744 /nfs/dbraw/zinc/85/87/44/513858744.db2.gz QKMTZCCFUILWAU-KRWDZBQOSA-N 1 3 361.505 2.815 20 0 FFADHO C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000443063066 513858877 /nfs/dbraw/zinc/85/88/77/513858877.db2.gz VNGBEIVBWOUCKE-KGLIPLIRSA-N 1 3 373.419 2.823 20 0 FFADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@@H](CC[NH3+])C1 ZINC000443061406 513859048 /nfs/dbraw/zinc/85/90/48/513859048.db2.gz RRLBSYDYHBLIDU-KGLIPLIRSA-N 1 3 355.885 2.887 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422746554 513921095 /nfs/dbraw/zinc/92/10/95/513921095.db2.gz WWFIAEQMHFROIO-YJJAZYOBSA-N 1 3 360.521 2.901 20 0 FFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422770229 513927175 /nfs/dbraw/zinc/92/71/75/513927175.db2.gz PXFBKZJMVAVOEU-YPAWHYETSA-N 1 3 357.542 2.919 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422767711 513927723 /nfs/dbraw/zinc/92/77/23/513927723.db2.gz YUHOQGRCYGFGER-YSFYHYPLSA-N 1 3 373.541 2.579 20 0 FFADHO C[C@@H]([NH3+])C[C@H](C)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000422775453 513929376 /nfs/dbraw/zinc/92/93/76/513929376.db2.gz AGZBXURDLZNBPL-KGLIPLIRSA-N 1 3 358.452 2.673 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccccc2Br)CC1 ZINC000422783515 513930676 /nfs/dbraw/zinc/93/06/76/513930676.db2.gz MYPGTPVEPVPQHE-WOSRLPQWSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422783515 513930677 /nfs/dbraw/zinc/93/06/77/513930677.db2.gz MYPGTPVEPVPQHE-WOSRLPQWSA-N 1 3 353.304 2.823 20 0 FFADHO Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422790379 513933550 /nfs/dbraw/zinc/93/35/50/513933550.db2.gz TZGAQFSHIOIKDL-AVRDEDQJSA-N 1 3 368.525 2.881 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)CC[NH2+]CC1 ZINC000422803849 513937470 /nfs/dbraw/zinc/93/74/70/513937470.db2.gz JSQPCVMVUJGCPG-LSDHHAIUSA-N 1 3 361.486 2.617 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422856068 513953085 /nfs/dbraw/zinc/95/30/85/513953085.db2.gz FNEPBFCVXQQINZ-ZPMCFJSWSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422856068 513953092 /nfs/dbraw/zinc/95/30/92/513953092.db2.gz FNEPBFCVXQQINZ-ZPMCFJSWSA-N 1 3 357.542 2.918 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000431646564 513954413 /nfs/dbraw/zinc/95/44/13/513954413.db2.gz XBHYMWVTFNPMIL-IBGZPJMESA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000431644290 513955523 /nfs/dbraw/zinc/95/55/23/513955523.db2.gz IBXJGPYIJALDIQ-UHFFFAOYSA-N 1 3 354.583 2.974 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422883273 513963371 /nfs/dbraw/zinc/96/33/71/513963371.db2.gz QILREIVTLJKPNP-WTNAPCKOSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422883273 513963375 /nfs/dbraw/zinc/96/33/75/513963375.db2.gz QILREIVTLJKPNP-WTNAPCKOSA-N 1 3 357.542 2.918 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[NH2+]C3CCCCC3)cc2)CC1 ZINC000419921319 513967819 /nfs/dbraw/zinc/96/78/19/513967819.db2.gz NPMKUSGLIXKZET-UHFFFAOYSA-N 1 3 372.557 2.871 20 0 FFADHO N[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894862 513967971 /nfs/dbraw/zinc/96/79/71/513967971.db2.gz USBKCXCGSHEOHM-DLBZAZTESA-N 1 3 352.320 2.883 20 0 FFADHO [NH3+][C@H]1CCC[C@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894862 513967977 /nfs/dbraw/zinc/96/79/77/513967977.db2.gz USBKCXCGSHEOHM-DLBZAZTESA-N 1 3 352.320 2.883 20 0 FFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422925304 513978963 /nfs/dbraw/zinc/97/89/63/513978963.db2.gz AVVCYIFLVLUBRA-AFXVXQJMSA-N 1 3 371.569 2.816 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000416835535 513992478 /nfs/dbraw/zinc/99/24/78/513992478.db2.gz FOGKZYGRPYCGCW-BRWVUGGUSA-N 1 3 364.559 2.949 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416847565 513999959 /nfs/dbraw/zinc/99/99/59/513999959.db2.gz VJNQPQYNJXTRNO-HRCADAONSA-N 1 3 350.532 2.702 20 0 FFADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000416846861 514000551 /nfs/dbraw/zinc/00/05/51/514000551.db2.gz UTBZKHBLSIXLLI-UXHICEINSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1CN(C)Cc1ccco1 ZINC000423001893 514005547 /nfs/dbraw/zinc/00/55/47/514005547.db2.gz FEANVOCBCRDGLK-DQLDELGASA-N 1 3 357.498 2.754 20 0 FFADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CCC2 ZINC000414193433 514006657 /nfs/dbraw/zinc/00/66/57/514006657.db2.gz MVXIWDGULFVSOC-OAQYLSRUSA-N 1 3 357.542 2.759 20 0 FFADHO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000443638626 514008621 /nfs/dbraw/zinc/00/86/21/514008621.db2.gz AULWPGPXSPAZCQ-JBACZVJFSA-N 1 3 357.542 2.858 20 0 FFADHO Cc1ccc(C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C(C)C)cc1 ZINC000414199154 514008736 /nfs/dbraw/zinc/00/87/36/514008736.db2.gz QTSRNFPOWZQFJP-QFIPXVFZSA-N 1 3 373.585 2.948 20 0 FFADHO COC[C@H](CCC[NH3+])N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066111 514024886 /nfs/dbraw/zinc/02/48/86/514024886.db2.gz CYXDUEVAXXJWMQ-ZFWWWQNUSA-N 1 3 374.312 2.832 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000423070311 514027423 /nfs/dbraw/zinc/02/74/23/514027423.db2.gz CNJWWQYUCRHWQR-KMFMINBZSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423070311 514027425 /nfs/dbraw/zinc/02/74/25/514027425.db2.gz CNJWWQYUCRHWQR-KMFMINBZSA-N 1 3 355.320 2.578 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423073575 514028602 /nfs/dbraw/zinc/02/86/02/514028602.db2.gz JEDSGJZIUWFGST-SMDDNHRTSA-N 1 3 367.415 2.768 20 0 FFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423073779 514029360 /nfs/dbraw/zinc/02/93/60/514029360.db2.gz JSGXTJCRJDWMKS-MJSCVDMRSA-N 1 3 356.432 2.765 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423076740 514031471 /nfs/dbraw/zinc/03/14/71/514031471.db2.gz RXSZVVZYOANCGQ-VYDXJSESSA-N 1 3 355.320 2.707 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccc(F)cc2)[C@@H](C)C1 ZINC000414295101 514037942 /nfs/dbraw/zinc/03/79/42/514037942.db2.gz QQVJWUMFUKINIQ-QRFRQXIXSA-N 1 3 352.494 2.628 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccc(F)cc2)[C@@H](C)C1 ZINC000414295101 514037950 /nfs/dbraw/zinc/03/79/50/514037950.db2.gz QQVJWUMFUKINIQ-QRFRQXIXSA-N 1 3 352.494 2.628 20 0 FFADHO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000423095061 514039668 /nfs/dbraw/zinc/03/96/68/514039668.db2.gz LGPZJWWQSMMLBD-RYUDHWBXSA-N 1 3 358.267 2.810 20 0 FFADHO C[C@@H](CCc1ccc(I)cc1)N[C@@H](C)C1C[NH2+]C1 ZINC000423095061 514039671 /nfs/dbraw/zinc/03/96/71/514039671.db2.gz LGPZJWWQSMMLBD-RYUDHWBXSA-N 1 3 358.267 2.810 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416908622 514040005 /nfs/dbraw/zinc/04/00/05/514040005.db2.gz WPMMMHCJZGYDIT-QFIPXVFZSA-N 1 3 370.541 2.958 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000426819561 514049790 /nfs/dbraw/zinc/04/97/90/514049790.db2.gz IJZVEVZCMWQHEA-IAGOWNOFSA-N 1 3 354.535 2.930 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2c3ccc(F)cc3O[C@H]2C)CC[NH2+]CC1 ZINC000423123692 514050424 /nfs/dbraw/zinc/05/04/24/514050424.db2.gz LQARFHTYRODDOK-GDZNZVCISA-N 1 3 350.434 2.559 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423130014 514053956 /nfs/dbraw/zinc/05/39/56/514053956.db2.gz XWGBNPMYHZMDKT-CORIIIEPSA-N 1 3 366.303 2.815 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423152969 514062212 /nfs/dbraw/zinc/06/22/12/514062212.db2.gz GRKZTHAVKPTYTN-IIYDPXPESA-N 1 3 373.310 2.846 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000423152969 514062219 /nfs/dbraw/zinc/06/22/19/514062219.db2.gz GRKZTHAVKPTYTN-IIYDPXPESA-N 1 3 373.310 2.846 20 0 FFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(Br)ccc1F ZINC000423161404 514064675 /nfs/dbraw/zinc/06/46/75/514064675.db2.gz NTDDUHFCIUGMDD-AEZOWIDVSA-N 1 3 371.294 2.612 20 0 FFADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416955472 514065792 /nfs/dbraw/zinc/06/57/92/514065792.db2.gz JLMLJTMMQOUDGG-CVEARBPZSA-N 1 3 354.498 2.950 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000423162343 514066612 /nfs/dbraw/zinc/06/66/12/514066612.db2.gz PEGMMBAZXBADDX-CSMYWGQOSA-N 1 3 373.310 2.989 20 0 FFADHO COc1ccc(-n2cc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)cn2)cc1 ZINC000449100197 514072314 /nfs/dbraw/zinc/07/23/14/514072314.db2.gz BEBOHVODDIDJGL-QZTJIDSGSA-N 1 3 372.513 2.860 20 0 FFADHO C[NH2+][C@@H]1CCN(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)C1 ZINC000416965519 514072602 /nfs/dbraw/zinc/07/26/02/514072602.db2.gz UQRISZAXNRMHOK-HXUWFJFHSA-N 1 3 366.509 2.919 20 0 FFADHO CCS(=O)(=O)NCCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449105410 514073152 /nfs/dbraw/zinc/07/31/52/514073152.db2.gz DLANDRWWQLWNTI-UHFFFAOYSA-N 1 3 361.596 2.585 20 0 FFADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416968198 514074295 /nfs/dbraw/zinc/07/42/95/514074295.db2.gz YHKUCENOYDFTGN-LJQANCHMSA-N 1 3 354.498 2.952 20 0 FFADHO Clc1cc(Br)cc2c1CC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423200623 514078676 /nfs/dbraw/zinc/07/86/76/514078676.db2.gz FZZRASKNSQNIPW-HNNXBMFYSA-N 1 3 358.711 2.585 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3C[C@H](C)NC[C@H]3C)cc2)CC1 ZINC000416972511 514079149 /nfs/dbraw/zinc/07/91/49/514079149.db2.gz INCZQODZJAJMNL-ZWKOTPCHSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](C)CN2CCN(C)CC2)CC1 ZINC000449130499 514085167 /nfs/dbraw/zinc/08/51/67/514085167.db2.gz GUXCNAGEBPDDMU-LEWJYISDSA-N 1 3 372.601 2.555 20 0 FFADHO Clc1ccccc1OCCN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420310550 514085548 /nfs/dbraw/zinc/08/55/48/514085548.db2.gz VDMRXJLYWGCCIW-QGZVFWFLSA-N 1 3 351.922 2.726 20 0 FFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccccc1Br ZINC000420321869 514092951 /nfs/dbraw/zinc/09/29/51/514092951.db2.gz VTPUNWOYZYNDFU-CYBMUJFWSA-N 1 3 354.292 2.981 20 0 FFADHO CC(C)Cc1ccc([C@H](C)NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420326361 514095326 /nfs/dbraw/zinc/09/53/26/514095326.db2.gz CFWAJJFMJVYTJI-DZFGPLHGSA-N 1 3 357.542 2.994 20 0 FFADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000423290754 514100514 /nfs/dbraw/zinc/10/05/14/514100514.db2.gz FIDVUJQIQCPBLT-DJJJIMSYSA-N 1 3 359.495 2.521 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCCNCC3)cc2)C1 ZINC000417000658 514107079 /nfs/dbraw/zinc/10/70/79/514107079.db2.gz YWYBPUVOMPYQLD-QZTJIDSGSA-N 1 3 358.530 2.669 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)NC[C@@H]([NH3+])C1CC1 ZINC000423325668 514110796 /nfs/dbraw/zinc/11/07/96/514110796.db2.gz QMLCHIAXKJXAAJ-IAQYHMDHSA-N 1 3 358.267 2.939 20 0 FFADHO CCOC(=O)c1csc(C2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420371549 514114073 /nfs/dbraw/zinc/11/40/73/514114073.db2.gz KKBDJHXLYLWOBX-AWEZNQCLSA-N 1 3 351.516 2.889 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417008189 514114166 /nfs/dbraw/zinc/11/41/66/514114166.db2.gz IHSYDNYZSUZXOO-SFTDATJTSA-N 1 3 366.509 2.823 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H](C)C(=O)NCc2ccco2)CC1 ZINC000449221783 514120422 /nfs/dbraw/zinc/12/04/22/514120422.db2.gz HDTACKRFLBJDAI-QZTJIDSGSA-N 1 3 369.509 2.970 20 0 FFADHO CC(C)[C@H](COCc1ccccc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389470 514124768 /nfs/dbraw/zinc/12/47/68/514124768.db2.gz NMGJNOYXORWBGI-ROUUACIJSA-N 1 3 373.463 2.654 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417020466 514125230 /nfs/dbraw/zinc/12/52/30/514125230.db2.gz JDGAIHZYTQQSCI-SFTDATJTSA-N 1 3 370.541 2.997 20 0 FFADHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1OCC(=O)N(C)C ZINC000423396064 514127587 /nfs/dbraw/zinc/12/75/87/514127587.db2.gz SDIVACQVZRAMCJ-FQEVSTJZSA-N 1 3 367.493 2.998 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444166700 514141280 /nfs/dbraw/zinc/14/12/80/514141280.db2.gz KHWRDNBESPJBEU-IPJJNNNSSA-N 1 3 355.526 2.575 20 0 FFADHO CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(C)ccc1OC ZINC000423446218 514143297 /nfs/dbraw/zinc/14/32/97/514143297.db2.gz CJUBXEMSCCOWMU-OPYAIIAOSA-N 1 3 359.514 2.691 20 0 FFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(Cl)c1 ZINC000423446964 514143627 /nfs/dbraw/zinc/14/36/27/514143627.db2.gz CXUAEOPQDFLVND-LSKLOWJMSA-N 1 3 353.869 2.777 20 0 FFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423451670 514144717 /nfs/dbraw/zinc/14/47/17/514144717.db2.gz ISPRAXZTZSTAFX-PNPHSEOMSA-N 1 3 367.440 2.585 20 0 FFADHO Cc1cc(Cl)cc(C)c1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414488906 514146433 /nfs/dbraw/zinc/14/64/33/514146433.db2.gz UWLXLFMUMXACHY-UHFFFAOYSA-N 1 3 365.949 2.843 20 0 FFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000423459011 514146694 /nfs/dbraw/zinc/14/66/94/514146694.db2.gz QWLKZRMAKVJUJN-NJAPINKUSA-N 1 3 367.440 2.585 20 0 FFADHO Cn1cnc2cc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)ccc21 ZINC000414523553 514162349 /nfs/dbraw/zinc/16/23/49/514162349.db2.gz ILHAGLBAKKGVLD-UHFFFAOYSA-N 1 3 364.493 2.690 20 0 FFADHO CC(C)(CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000417090709 514163321 /nfs/dbraw/zinc/16/33/21/514163321.db2.gz XZYFFBNAGPHSSZ-IYARVYRRSA-N 1 3 372.557 2.888 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1SC ZINC000414527045 514163867 /nfs/dbraw/zinc/16/38/67/514163867.db2.gz QIOUWZICHATAQR-OTWHNJEPSA-N 1 3 364.555 2.512 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000444264917 514172608 /nfs/dbraw/zinc/17/26/08/514172608.db2.gz DWTOPTNRCRNUBT-NUEKZKHPSA-N 1 3 355.404 2.566 20 0 FFADHO CC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423573589 514173749 /nfs/dbraw/zinc/17/37/49/514173749.db2.gz OXUFUXUABJOSST-SLFFLAALSA-N 1 3 355.526 2.875 20 0 FFADHO CSC1(C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000414557130 514177733 /nfs/dbraw/zinc/17/77/33/514177733.db2.gz PJQOYEIKHOSQGY-UHFFFAOYSA-N 1 3 361.555 2.759 20 0 FFADHO CC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN(Cc2ccccc2)CC1 ZINC000423677611 514200340 /nfs/dbraw/zinc/20/03/40/514200340.db2.gz KLWXLGHXMFUHFN-BGYRXZFFSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423788532 514229719 /nfs/dbraw/zinc/22/97/19/514229719.db2.gz XWVPVLQCLCVJNE-VGSWGCGISA-N 1 3 363.505 2.625 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417212117 514234099 /nfs/dbraw/zinc/23/40/99/514234099.db2.gz HPZIKUQSKDWMIT-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675212 514237285 /nfs/dbraw/zinc/23/72/85/514237285.db2.gz LSIIXXXBQJWRBR-UONOGXRCSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675212 514237290 /nfs/dbraw/zinc/23/72/90/514237290.db2.gz LSIIXXXBQJWRBR-UONOGXRCSA-N 1 3 357.420 2.896 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000417218441 514239928 /nfs/dbraw/zinc/23/99/28/514239928.db2.gz STWYOYQANLUPOL-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)C1 ZINC000414706617 514250018 /nfs/dbraw/zinc/25/00/18/514250018.db2.gz OUTGYZSNKJLBCT-GJZGRUSLSA-N 1 3 367.896 2.683 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)C1 ZINC000414706617 514250020 /nfs/dbraw/zinc/25/00/20/514250020.db2.gz OUTGYZSNKJLBCT-GJZGRUSLSA-N 1 3 367.896 2.683 20 0 FFADHO C[NH+](C)CCCOC1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423835223 514255524 /nfs/dbraw/zinc/25/55/24/514255524.db2.gz HOYMDBWWUIVPJE-LJQANCHMSA-N 1 3 361.530 2.672 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414731152 514260868 /nfs/dbraw/zinc/26/08/68/514260868.db2.gz AERVVMRRUUOORO-HUUCEWRRSA-N 1 3 351.457 2.873 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414731152 514260864 /nfs/dbraw/zinc/26/08/64/514260864.db2.gz AERVVMRRUUOORO-HUUCEWRRSA-N 1 3 351.457 2.873 20 0 FFADHO COc1ccc(Cl)cc1CN1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414730004 514261020 /nfs/dbraw/zinc/26/10/20/514261020.db2.gz GGTFNNOLDYPGLY-JKSUJKDBSA-N 1 3 351.922 2.854 20 0 FFADHO C[C@H]1C[C@H](CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414741638 514266936 /nfs/dbraw/zinc/26/69/36/514266936.db2.gz SHZAVYWEXVQCEN-DLBZAZTESA-N 1 3 351.922 2.725 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417302472 514284433 /nfs/dbraw/zinc/28/44/33/514284433.db2.gz WIHDUACKFSAGSV-SWLSCSKDSA-N 1 3 360.424 2.735 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)N(C)C)cc1 ZINC000417303029 514284757 /nfs/dbraw/zinc/28/47/57/514284757.db2.gz CYSWDWAVXFPONV-UFYCRDLUSA-N 1 3 358.530 2.629 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)N(C)C)cc1 ZINC000417310742 514286715 /nfs/dbraw/zinc/28/67/15/514286715.db2.gz KSUCAIVQXLBDOW-PMACEKPBSA-N 1 3 358.530 2.771 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000420813553 514315238 /nfs/dbraw/zinc/31/52/38/514315238.db2.gz VRPHUNIYSKANTA-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000420813553 514315243 /nfs/dbraw/zinc/31/52/43/514315243.db2.gz VRPHUNIYSKANTA-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417377171 514321292 /nfs/dbraw/zinc/32/12/92/514321292.db2.gz FOUSZXSKWIOHFE-HNNXBMFYSA-N 1 3 352.548 2.777 20 0 FFADHO COc1cc(Br)c(CNCC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414850306 514322696 /nfs/dbraw/zinc/32/26/96/514322696.db2.gz MMWQNJSVLPLDFM-GFCCVEGCSA-N 1 3 357.292 2.946 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(OCCN(C)C)c2)cc1 ZINC000414879665 514337024 /nfs/dbraw/zinc/33/70/24/514337024.db2.gz IOSQHPBYPVOZKR-HNNXBMFYSA-N 1 3 356.470 2.968 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000427904059 514342490 /nfs/dbraw/zinc/34/24/90/514342490.db2.gz BDQBOLDENMQIOZ-PMACEKPBSA-N 1 3 358.530 2.653 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414932228 514361252 /nfs/dbraw/zinc/36/12/52/514361252.db2.gz CMNJKFKBOHTBHL-LALPHHSUSA-N 1 3 354.292 2.754 20 0 FFADHO COc1cc(Br)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415006995 514398991 /nfs/dbraw/zinc/39/89/91/514398991.db2.gz KYTILAKISXAXPN-DZGCQCFKSA-N 1 3 369.303 2.944 20 0 FFADHO CCN(Cc1cc(C[N@@H+](CC)[C@@H]2CCOC2)cc(OC)c1)[C@@H]1CCOC1 ZINC000433178464 514408413 /nfs/dbraw/zinc/40/84/13/514408413.db2.gz CFLGOOURSOPNMJ-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000420980363 514419204 /nfs/dbraw/zinc/41/92/04/514419204.db2.gz LLKMDAUFLKVNEV-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000420980363 514419212 /nfs/dbraw/zinc/41/92/12/514419212.db2.gz LLKMDAUFLKVNEV-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)Nc3cccc(C)c3)CC2)CC1 ZINC000420997740 514431211 /nfs/dbraw/zinc/43/12/11/514431211.db2.gz ANPWQYKXCWNFDT-IBGZPJMESA-N 1 3 372.557 2.814 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)Nc3cccc(C)c3)CC2)CC1 ZINC000420997740 514431212 /nfs/dbraw/zinc/43/12/12/514431212.db2.gz ANPWQYKXCWNFDT-IBGZPJMESA-N 1 3 372.557 2.814 20 0 FFADHO CC(C)c1ccc(OCCNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424289679 514447027 /nfs/dbraw/zinc/44/70/27/514447027.db2.gz MGMKHPAZJVACJF-SFHVURJKSA-N 1 3 373.541 2.769 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424298201 514450473 /nfs/dbraw/zinc/45/04/73/514450473.db2.gz UBSOYHSIQXXWMO-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(OC(F)F)cc1)CC[NH2+]CC2 ZINC000424302390 514452355 /nfs/dbraw/zinc/45/23/55/514452355.db2.gz ZJIYRFFILBDMKF-CYBMUJFWSA-N 1 3 353.413 2.691 20 0 FFADHO COc1ccc2cc(C[N@@H+]3CCC[C@@H](n4cc(CN)nn4)C3)ccc2c1 ZINC000415138155 514463749 /nfs/dbraw/zinc/46/37/49/514463749.db2.gz YLNINXPSKDFYJK-LJQANCHMSA-N 1 3 351.454 2.736 20 0 FFADHO COc1ccc2cc(C[N@H+]3CCC[C@@H](n4cc(CN)nn4)C3)ccc2c1 ZINC000415138155 514463753 /nfs/dbraw/zinc/46/37/53/514463753.db2.gz YLNINXPSKDFYJK-LJQANCHMSA-N 1 3 351.454 2.736 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000433375479 514476567 /nfs/dbraw/zinc/47/65/67/514476567.db2.gz LMIGHTPYRIIPQO-QWFCFKBJSA-N 1 3 361.530 2.685 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000455425124 514513452 /nfs/dbraw/zinc/51/34/52/514513452.db2.gz DJGYTJPJXHCKHK-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000455425124 514513463 /nfs/dbraw/zinc/51/34/63/514513463.db2.gz DJGYTJPJXHCKHK-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000466047050 514547861 /nfs/dbraw/zinc/54/78/61/514547861.db2.gz YTTRXYLVRFYPFZ-ZWKOTPCHSA-N 1 3 373.545 2.741 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000466047050 514547865 /nfs/dbraw/zinc/54/78/65/514547865.db2.gz YTTRXYLVRFYPFZ-ZWKOTPCHSA-N 1 3 373.545 2.741 20 0 FFADHO COc1ccc([C@@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000475137783 514569870 /nfs/dbraw/zinc/56/98/70/514569870.db2.gz SUTHPGRVQKDEJG-UZLBHIALSA-N 1 3 355.482 2.765 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475140773 514571206 /nfs/dbraw/zinc/57/12/06/514571206.db2.gz STCGJUAFJMPMLZ-ZCNNSNEGSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475140773 514571209 /nfs/dbraw/zinc/57/12/09/514571209.db2.gz STCGJUAFJMPMLZ-ZCNNSNEGSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C)CCOCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453221955 514574130 /nfs/dbraw/zinc/57/41/30/514574130.db2.gz ODNIVHDWNCYMEH-KRWDZBQOSA-N 1 3 355.320 2.938 20 0 FFADHO CC(C)[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1C(C)C ZINC000458137861 514583130 /nfs/dbraw/zinc/58/31/30/514583130.db2.gz VTFJKSIFBFBSBZ-VQTJNVASSA-N 1 3 364.578 2.867 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000466282781 514597114 /nfs/dbraw/zinc/59/71/14/514597114.db2.gz IPHHHXLNOQTWHW-LAUBAEHRSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000466400186 514636456 /nfs/dbraw/zinc/63/64/56/514636456.db2.gz TZCUYBQVJBXQFN-UZLBHIALSA-N 1 3 356.514 2.564 20 0 FFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(C)C ZINC000508015951 514638698 /nfs/dbraw/zinc/63/86/98/514638698.db2.gz YKZZLHCXZHSTDS-HXUWFJFHSA-N 1 3 362.562 2.920 20 0 FFADHO CN1CC[C@]2(CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)C2)C1 ZINC000488954448 514648790 /nfs/dbraw/zinc/64/87/90/514648790.db2.gz ZRBYHEJHJDIACT-FPOVZHCZSA-N 1 3 362.562 2.768 20 0 FFADHO CN1CC[C@]2(CCN(C(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)C2)C1 ZINC000488954448 514648796 /nfs/dbraw/zinc/64/87/96/514648796.db2.gz ZRBYHEJHJDIACT-FPOVZHCZSA-N 1 3 362.562 2.768 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000508062459 514650286 /nfs/dbraw/zinc/65/02/86/514650286.db2.gz ZLSYAJYSSIMELD-IBGZPJMESA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000466500015 514666243 /nfs/dbraw/zinc/66/62/43/514666243.db2.gz RVGSXCIRZWJHNA-AHRSYUTCSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000466500015 514666253 /nfs/dbraw/zinc/66/62/53/514666253.db2.gz RVGSXCIRZWJHNA-AHRSYUTCSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000489058253 514688931 /nfs/dbraw/zinc/68/89/31/514688931.db2.gz COYFTFAAWYUUDG-TUNNFDKTSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000489058253 514688944 /nfs/dbraw/zinc/68/89/44/514688944.db2.gz COYFTFAAWYUUDG-TUNNFDKTSA-N 1 3 370.541 2.967 20 0 FFADHO O[C@@H](COc1ccc(F)cc1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471014358 514715902 /nfs/dbraw/zinc/71/59/02/514715902.db2.gz JRMMIUAJYWHRDL-SVFBPWRDSA-N 1 3 370.468 2.629 20 0 FFADHO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471014358 514715906 /nfs/dbraw/zinc/71/59/06/514715906.db2.gz JRMMIUAJYWHRDL-SVFBPWRDSA-N 1 3 370.468 2.629 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000461788943 514739146 /nfs/dbraw/zinc/73/91/46/514739146.db2.gz YMAVZSXBKRVKEV-QAPCUYQASA-N 1 3 364.559 2.915 20 0 FFADHO CC[NH+]1CCN(c2ccccc2CN2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000475625689 514741041 /nfs/dbraw/zinc/74/10/41/514741041.db2.gz MGJQXOSHUMZNAE-JOCHJYFZSA-N 1 3 373.541 2.598 20 0 FFADHO CC[NH+](CC)CCOC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000466729648 514745798 /nfs/dbraw/zinc/74/57/98/514745798.db2.gz BDLUKBXDDZSQFA-GUDVDZBRSA-N 1 3 367.578 2.987 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000484804838 514799576 /nfs/dbraw/zinc/79/95/76/514799576.db2.gz AOYUURBGPJBTJK-QAPCUYQASA-N 1 3 362.518 2.882 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccccc2C)CC1 ZINC000466916725 514825435 /nfs/dbraw/zinc/82/54/35/514825435.db2.gz JYZVRQPNQRFGAF-QFIPXVFZSA-N 1 3 367.537 2.830 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000466923914 514829711 /nfs/dbraw/zinc/82/97/11/514829711.db2.gz NIKZXJLDLBOPFQ-HBFSDRIKSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000484903324 514837761 /nfs/dbraw/zinc/83/77/61/514837761.db2.gz FCPCHBGENVPNST-QWRGUYRKSA-N 1 3 358.255 2.586 20 0 FFADHO CN(C)[C@H](CNC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000466955827 514840890 /nfs/dbraw/zinc/84/08/90/514840890.db2.gz UXUUAUOULTVIGD-OAQYLSRUSA-N 1 3 368.525 2.893 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN(C2CC2)C1 ZINC000458502405 514851084 /nfs/dbraw/zinc/85/10/84/514851084.db2.gz UDIOWIXVJZNMPC-KRWDZBQOSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]([NH2+]CCNC(=O)c1cccs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508710670 514871182 /nfs/dbraw/zinc/87/11/82/514871182.db2.gz NGLMJHLDCWBLJO-WMZOPIPTSA-N 1 3 357.523 2.978 20 0 FFADHO C[C@H](NCCNC(=O)c1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508710670 514871191 /nfs/dbraw/zinc/87/11/91/514871191.db2.gz NGLMJHLDCWBLJO-WMZOPIPTSA-N 1 3 357.523 2.978 20 0 FFADHO C[C@H](NCCNC(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710670 514871196 /nfs/dbraw/zinc/87/11/96/514871196.db2.gz NGLMJHLDCWBLJO-WMZOPIPTSA-N 1 3 357.523 2.978 20 0 FFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503031293 514887619 /nfs/dbraw/zinc/88/76/19/514887619.db2.gz DBIVWLZXQRLCKU-FSSWDIPSSA-N 1 3 365.521 2.669 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000462218258 514946194 /nfs/dbraw/zinc/94/61/94/514946194.db2.gz GNLDNLBYZKQDIN-AOIWGVFYSA-N 1 3 360.546 2.782 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000503197287 514954102 /nfs/dbraw/zinc/95/41/02/514954102.db2.gz ISOCRFQYLIHBLG-RBUKOAKNSA-N 1 3 371.525 2.965 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000489787595 514975939 /nfs/dbraw/zinc/97/59/39/514975939.db2.gz OSMVVTSHEHVEEE-NJYVYQBISA-N 1 3 372.557 2.995 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000471675828 514979315 /nfs/dbraw/zinc/97/93/15/514979315.db2.gz IPQOIWSVUDWLAV-QGZVFWFLSA-N 1 3 360.546 2.853 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000485295679 514987580 /nfs/dbraw/zinc/98/75/80/514987580.db2.gz VEHGDNQAHIEEEU-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000485295679 514987590 /nfs/dbraw/zinc/98/75/90/514987590.db2.gz VEHGDNQAHIEEEU-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000489825036 514989682 /nfs/dbraw/zinc/98/96/82/514989682.db2.gz DQDPZJSSGLRFCY-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000489825036 514989687 /nfs/dbraw/zinc/98/96/87/514989687.db2.gz DQDPZJSSGLRFCY-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000489863845 515004623 /nfs/dbraw/zinc/00/46/23/515004623.db2.gz SWCISEUNMUAFEL-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000467664859 515073759 /nfs/dbraw/zinc/07/37/59/515073759.db2.gz CDJIDWCFNNXNPX-LJQANCHMSA-N 1 3 361.505 2.982 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000485631908 515120015 /nfs/dbraw/zinc/12/00/15/515120015.db2.gz WOYRRUOKIJAYHK-BVOGOJNSSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000485631908 515120027 /nfs/dbraw/zinc/12/00/27/515120027.db2.gz WOYRRUOKIJAYHK-BVOGOJNSSA-N 1 3 370.541 2.948 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503747669 515135562 /nfs/dbraw/zinc/13/55/62/515135562.db2.gz MDTJCLCEEVRKBX-NRFANRHFSA-N 1 3 374.573 2.780 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503747669 515135570 /nfs/dbraw/zinc/13/55/70/515135570.db2.gz MDTJCLCEEVRKBX-NRFANRHFSA-N 1 3 374.573 2.780 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1CCCCN1C1CC1 ZINC000472238904 515181112 /nfs/dbraw/zinc/18/11/12/515181112.db2.gz JUTBPBVOCDPREV-PZJWPPBQSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CCCCN1C1CC1 ZINC000472238904 515181119 /nfs/dbraw/zinc/18/11/19/515181119.db2.gz JUTBPBVOCDPREV-PZJWPPBQSA-N 1 3 370.541 2.825 20 0 FFADHO CC[C@H]1C[N@H+](CCn2ccnc2C)[C@@H](CC)CN1CCn1ccnc1C ZINC000499058239 515183083 /nfs/dbraw/zinc/18/30/83/515183083.db2.gz YUQSCJZAEGYWLN-PMACEKPBSA-N 1 3 358.534 2.571 20 0 FFADHO CC[C@H]1C[N@@H+](CCn2ccnc2C)[C@@H](CC)CN1CCn1ccnc1C ZINC000499058239 515183090 /nfs/dbraw/zinc/18/30/90/515183090.db2.gz YUQSCJZAEGYWLN-PMACEKPBSA-N 1 3 358.534 2.571 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)CC[C@H]2C)N(C)C)cc1 ZINC000458905243 515187129 /nfs/dbraw/zinc/18/71/29/515187129.db2.gz VJABGGYVLJFUPT-CRAIPNDOSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)N(C)C)cc1 ZINC000458905243 515187136 /nfs/dbraw/zinc/18/71/36/515187136.db2.gz VJABGGYVLJFUPT-CRAIPNDOSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@@H]1C[C@@H](CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCO1 ZINC000490397883 515197366 /nfs/dbraw/zinc/19/73/66/515197366.db2.gz FUIJAQJJPPQKPJ-MOPGFXCFSA-N 1 3 361.530 2.564 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000476797787 515198967 /nfs/dbraw/zinc/19/89/67/515198967.db2.gz ZXAPYDZLCLLEHX-PXNSSMCTSA-N 1 3 358.530 2.994 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000499199953 515233778 /nfs/dbraw/zinc/23/37/78/515233778.db2.gz ACRYQBHEASCZDS-APWZRJJASA-N 1 3 364.509 2.706 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000499199953 515233788 /nfs/dbraw/zinc/23/37/88/515233788.db2.gz ACRYQBHEASCZDS-APWZRJJASA-N 1 3 364.509 2.706 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccco1 ZINC000509576917 515240850 /nfs/dbraw/zinc/24/08/50/515240850.db2.gz IUCWGRGWRBASTB-BZSNNMDCSA-N 1 3 362.518 2.979 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccco1 ZINC000509615809 515260694 /nfs/dbraw/zinc/26/06/94/515260694.db2.gz VHNVQSJVEGJHDY-GVDBMIGSSA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccco1 ZINC000509615809 515260699 /nfs/dbraw/zinc/26/06/99/515260699.db2.gz VHNVQSJVEGJHDY-GVDBMIGSSA-N 1 3 350.507 2.692 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000504289936 515262943 /nfs/dbraw/zinc/26/29/43/515262943.db2.gz POEGXGABVOJAIJ-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000504289936 515262948 /nfs/dbraw/zinc/26/29/48/515262948.db2.gz POEGXGABVOJAIJ-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459057237 515291470 /nfs/dbraw/zinc/29/14/70/515291470.db2.gz KVRCOXFRJUYOTB-YQQQUEKLSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459057237 515291480 /nfs/dbraw/zinc/29/14/80/515291480.db2.gz KVRCOXFRJUYOTB-YQQQUEKLSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)NCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC000468289719 515299363 /nfs/dbraw/zinc/29/93/63/515299363.db2.gz DGOURAWQUGMDBB-UHFFFAOYSA-N 1 3 374.573 2.742 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCN(C)C1CC1 ZINC000490878708 515323385 /nfs/dbraw/zinc/32/33/85/515323385.db2.gz MSEQVVGWDNYSDS-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCN(C)C1CC1 ZINC000490878708 515323392 /nfs/dbraw/zinc/32/33/92/515323392.db2.gz MSEQVVGWDNYSDS-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000486120986 515342402 /nfs/dbraw/zinc/34/24/02/515342402.db2.gz MZHLCPKZKVOMPI-UHFFFAOYSA-N 1 3 369.509 2.661 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454260164 515346049 /nfs/dbraw/zinc/34/60/49/515346049.db2.gz FXXOEKQXCQHWCK-JRGCBEDISA-N 1 3 370.541 2.907 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454260164 515346059 /nfs/dbraw/zinc/34/60/59/515346059.db2.gz FXXOEKQXCQHWCK-JRGCBEDISA-N 1 3 370.541 2.907 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1cccs1 ZINC000499505048 515349811 /nfs/dbraw/zinc/34/98/11/515349811.db2.gz BBIXGZZQFXTYPT-QGZVFWFLSA-N 1 3 351.560 2.945 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1cccs1 ZINC000499505048 515349819 /nfs/dbraw/zinc/34/98/19/515349819.db2.gz BBIXGZZQFXTYPT-QGZVFWFLSA-N 1 3 351.560 2.945 20 0 FFADHO C[N@H+](CCCCNC(=O)N1CCN(CC2CCCCC2)CC1)C1CC1 ZINC000459156357 515362102 /nfs/dbraw/zinc/36/21/02/515362102.db2.gz LQOQTVBPCZJDIW-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO C[N@@H+](CCCCNC(=O)N1CCN(CC2CCCCC2)CC1)C1CC1 ZINC000459156357 515362110 /nfs/dbraw/zinc/36/21/10/515362110.db2.gz LQOQTVBPCZJDIW-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000459187381 515385118 /nfs/dbraw/zinc/38/51/18/515385118.db2.gz KUFLDHFTGKXRHI-RTBURBONSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000459187381 515385124 /nfs/dbraw/zinc/38/51/24/515385124.db2.gz KUFLDHFTGKXRHI-RTBURBONSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000477365810 515429435 /nfs/dbraw/zinc/42/94/35/515429435.db2.gz PGQXNAFXVOWQRK-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000477365810 515429445 /nfs/dbraw/zinc/42/94/45/515429445.db2.gz PGQXNAFXVOWQRK-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000468711776 515481770 /nfs/dbraw/zinc/48/17/70/515481770.db2.gz REVHTGXUCYTOOE-HDICACEKSA-N 1 3 355.526 2.909 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000468711776 515481781 /nfs/dbraw/zinc/48/17/81/515481781.db2.gz REVHTGXUCYTOOE-HDICACEKSA-N 1 3 355.526 2.909 20 0 FFADHO CC[C@@]1(C(C)C)C[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454440449 515491398 /nfs/dbraw/zinc/49/13/98/515491398.db2.gz AYZJGOMHSITHRJ-ICSRJNTNSA-N 1 3 350.551 2.669 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000505345832 515511721 /nfs/dbraw/zinc/51/17/21/515511721.db2.gz USFCHSOHBIWHJD-IBGZPJMESA-N 1 3 370.541 2.893 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000505345832 515511726 /nfs/dbraw/zinc/51/17/26/515511726.db2.gz USFCHSOHBIWHJD-IBGZPJMESA-N 1 3 370.541 2.893 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000473213384 515539374 /nfs/dbraw/zinc/53/93/74/515539374.db2.gz FJQBXOOSLATHPY-GGPKGHCWSA-N 1 3 367.578 2.891 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000473247358 515549601 /nfs/dbraw/zinc/54/96/01/515549601.db2.gz BIIPXSLXALVEEM-NRFANRHFSA-N 1 3 374.573 2.607 20 0 FFADHO c1sc(N2CCCC2)nc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459440440 515553858 /nfs/dbraw/zinc/55/38/58/515553858.db2.gz UVKOAOGYUXKXQB-UHFFFAOYSA-N 1 3 357.527 2.939 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000482112121 515578291 /nfs/dbraw/zinc/57/82/91/515578291.db2.gz DNLQYZHRKQUYST-RBUKOAKNSA-N 1 3 353.551 2.506 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000482112121 515578303 /nfs/dbraw/zinc/57/83/03/515578303.db2.gz DNLQYZHRKQUYST-RBUKOAKNSA-N 1 3 353.551 2.506 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)Cc1ccccc1 ZINC000510554909 515585926 /nfs/dbraw/zinc/58/59/26/515585926.db2.gz ULQVBXUEDDWHSF-WIYYLYMNSA-N 1 3 372.557 2.889 20 0 FFADHO OC[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H]1c1ccc(F)cc1 ZINC000459499015 515598389 /nfs/dbraw/zinc/59/83/89/515598389.db2.gz BVBSRHMDPNASHS-SFTDATJTSA-N 1 3 355.457 2.945 20 0 FFADHO COCC[N@@H+]1CC[C@H](Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)C1 ZINC000477867152 515620923 /nfs/dbraw/zinc/62/09/23/515620923.db2.gz UEMLUTSTKCUDQU-IBGZPJMESA-N 1 3 360.546 2.658 20 0 FFADHO COCC[N@H+]1CC[C@H](Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)C1 ZINC000477867152 515620932 /nfs/dbraw/zinc/62/09/32/515620932.db2.gz UEMLUTSTKCUDQU-IBGZPJMESA-N 1 3 360.546 2.658 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000505755222 515658255 /nfs/dbraw/zinc/65/82/55/515658255.db2.gz QYJLYRGEMJPKQH-HKUYNNGSSA-N 1 3 361.530 2.673 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000505755222 515658263 /nfs/dbraw/zinc/65/82/63/515658263.db2.gz QYJLYRGEMJPKQH-HKUYNNGSSA-N 1 3 361.530 2.673 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1=CCCCC1 ZINC000463974503 515676067 /nfs/dbraw/zinc/67/60/67/515676067.db2.gz VUXPISPQOYUUTO-IBGZPJMESA-N 1 3 350.551 2.934 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1=CCCCC1 ZINC000463974503 515676081 /nfs/dbraw/zinc/67/60/81/515676081.db2.gz VUXPISPQOYUUTO-IBGZPJMESA-N 1 3 350.551 2.934 20 0 FFADHO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000500422991 515702523 /nfs/dbraw/zinc/70/25/23/515702523.db2.gz JZQQLJSPEYENTL-ZWOKBUDYSA-N 1 3 359.514 2.821 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)ccn1 ZINC000464071986 515703298 /nfs/dbraw/zinc/70/32/98/515703298.db2.gz XVXRESHMFZUKSO-NJDAHSKKSA-N 1 3 372.557 2.779 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482564715 515721992 /nfs/dbraw/zinc/72/19/92/515721992.db2.gz LGXJCYNMKJCZDY-HBMCJLEFSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482564715 515722003 /nfs/dbraw/zinc/72/20/03/515722003.db2.gz LGXJCYNMKJCZDY-HBMCJLEFSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000482640962 515748320 /nfs/dbraw/zinc/74/83/20/515748320.db2.gz KGKWQESDVAVDFH-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506017639 515751503 /nfs/dbraw/zinc/75/15/03/515751503.db2.gz SXGFPHWFMSHCKE-MSOLQXFVSA-N 1 3 365.468 2.744 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506017639 515751508 /nfs/dbraw/zinc/75/15/08/515751508.db2.gz SXGFPHWFMSHCKE-MSOLQXFVSA-N 1 3 365.468 2.744 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000469422568 515811125 /nfs/dbraw/zinc/81/11/25/515811125.db2.gz QKPLMXHWPNMJNQ-AZUAARDMSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000469422568 515811132 /nfs/dbraw/zinc/81/11/32/515811132.db2.gz QKPLMXHWPNMJNQ-AZUAARDMSA-N 1 3 358.530 2.679 20 0 FFADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474025244 515848346 /nfs/dbraw/zinc/84/83/46/515848346.db2.gz STPUIRLNGHTUSO-FQEVSTJZSA-N 1 3 373.541 2.950 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511406876 515892906 /nfs/dbraw/zinc/89/29/06/515892906.db2.gz YXFORVPXHKCVCO-IBGZPJMESA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511406876 515892913 /nfs/dbraw/zinc/89/29/13/515892913.db2.gz YXFORVPXHKCVCO-IBGZPJMESA-N 1 3 360.546 2.927 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511522249 515932987 /nfs/dbraw/zinc/93/29/87/515932987.db2.gz RADYQWDPLUWPBW-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511522249 515932992 /nfs/dbraw/zinc/93/29/92/515932992.db2.gz RADYQWDPLUWPBW-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000501038740 515945808 /nfs/dbraw/zinc/94/58/08/515945808.db2.gz SHXNWLHNAMOCQC-FQEVSTJZSA-N 1 3 369.557 2.998 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H](C)C1 ZINC000487849909 516005965 /nfs/dbraw/zinc/00/59/65/516005965.db2.gz JAKOSUYJNBBFTI-YSTOQKLRSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C[C@H](C)C1 ZINC000487849909 516005971 /nfs/dbraw/zinc/00/59/71/516005971.db2.gz JAKOSUYJNBBFTI-YSTOQKLRSA-N 1 3 364.578 2.870 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000479072075 516047317 /nfs/dbraw/zinc/04/73/17/516047317.db2.gz UOOCWYMYIHUQSD-MAUKXSAKSA-N 1 3 369.575 2.968 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000469981681 516060510 /nfs/dbraw/zinc/06/05/10/516060510.db2.gz LERSEXDAIQDUAI-QZTJIDSGSA-N 1 3 359.514 2.650 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000501332099 516065734 /nfs/dbraw/zinc/06/57/34/516065734.db2.gz MJOLVROWRWBZDW-WIYYLYMNSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](CNC(=O)NC1CC[NH+](CC)CC1)N1CCc2ccccc2C1 ZINC000501375972 516082545 /nfs/dbraw/zinc/08/25/45/516082545.db2.gz DDFUNQCCORHJCK-HXUWFJFHSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCN(C2CC2)C1 ZINC000457702913 516082639 /nfs/dbraw/zinc/08/26/39/516082639.db2.gz RZVAXCVEHZDLBN-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCN(C2CC2)C1 ZINC000457702913 516082646 /nfs/dbraw/zinc/08/26/46/516082646.db2.gz RZVAXCVEHZDLBN-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCC[C@@H](CNC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1cccs1 ZINC000479197324 516103426 /nfs/dbraw/zinc/10/34/26/516103426.db2.gz UIEAKFISYJCVGB-BLLLJJGKSA-N 1 3 364.540 2.519 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000474595437 516112646 /nfs/dbraw/zinc/11/26/46/516112646.db2.gz DPJDPWYSVFWMAZ-LBVWLFBPSA-N 1 3 354.535 2.977 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(F)cc1 ZINC000479228392 516117492 /nfs/dbraw/zinc/11/74/92/516117492.db2.gz QMVXWWKEZRESHQ-VQTJNVASSA-N 1 3 355.457 2.649 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1C ZINC000465438769 516154358 /nfs/dbraw/zinc/15/43/58/516154358.db2.gz KPFDWVJYXSPFHW-QZTJIDSGSA-N 1 3 350.551 2.957 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000501573862 516158042 /nfs/dbraw/zinc/15/80/42/516158042.db2.gz KILXZIUETOGFGC-PXNSSMCTSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000501573862 516158050 /nfs/dbraw/zinc/15/80/50/516158050.db2.gz KILXZIUETOGFGC-PXNSSMCTSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479379339 516171215 /nfs/dbraw/zinc/17/12/15/516171215.db2.gz RQKPIKZYLPDBKH-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479379339 516171225 /nfs/dbraw/zinc/17/12/25/516171225.db2.gz RQKPIKZYLPDBKH-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCCC[C@H]1C ZINC000483714541 516184897 /nfs/dbraw/zinc/18/48/97/516184897.db2.gz OPEAWPWLGJWBEL-IAGOWNOFSA-N 1 3 350.551 2.956 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CNC2 ZINC000470359155 516217133 /nfs/dbraw/zinc/21/71/33/516217133.db2.gz LAIOVDNQILWPSB-HNNXBMFYSA-N 1 3 355.507 2.993 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)CNC2 ZINC000470359155 516217137 /nfs/dbraw/zinc/21/71/37/516217137.db2.gz LAIOVDNQILWPSB-HNNXBMFYSA-N 1 3 355.507 2.993 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000512289757 516226456 /nfs/dbraw/zinc/22/64/56/516226456.db2.gz USZLEQSMHMMEJS-SNJCGAMXSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000512289757 516226464 /nfs/dbraw/zinc/22/64/64/516226464.db2.gz USZLEQSMHMMEJS-SNJCGAMXSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000512289757 516226474 /nfs/dbraw/zinc/22/64/74/516226474.db2.gz USZLEQSMHMMEJS-SNJCGAMXSA-N 1 3 369.553 2.740 20 0 FFADHO c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507513684 516228950 /nfs/dbraw/zinc/22/89/50/516228950.db2.gz AJDBLRHSRIXIJC-UFYCRDLUSA-N 1 3 351.498 2.656 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507513684 516228961 /nfs/dbraw/zinc/22/89/61/516228961.db2.gz AJDBLRHSRIXIJC-UFYCRDLUSA-N 1 3 351.498 2.656 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507513684 516228972 /nfs/dbraw/zinc/22/89/72/516228972.db2.gz AJDBLRHSRIXIJC-UFYCRDLUSA-N 1 3 351.498 2.656 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000457921910 516231848 /nfs/dbraw/zinc/23/18/48/516231848.db2.gz HALBRXIZSZJKKT-HBFSDRIKSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000457921910 516231857 /nfs/dbraw/zinc/23/18/57/516231857.db2.gz HALBRXIZSZJKKT-HBFSDRIKSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)C[NH+]1CCCCC1 ZINC000465697530 516232827 /nfs/dbraw/zinc/23/28/27/516232827.db2.gz VCRNRWBWKFNECQ-GOSISDBHSA-N 1 3 372.557 2.507 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000465778798 516255805 /nfs/dbraw/zinc/25/58/05/516255805.db2.gz IFISZYORPFMNJJ-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000465778798 516255812 /nfs/dbraw/zinc/25/58/12/516255812.db2.gz IFISZYORPFMNJJ-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccc(C)c1 ZINC000465783614 516257577 /nfs/dbraw/zinc/25/75/77/516257577.db2.gz ONZMFZWCYKQPQI-HXUWFJFHSA-N 1 3 360.546 2.595 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccc(C)c1 ZINC000465783614 516257582 /nfs/dbraw/zinc/25/75/82/516257582.db2.gz ONZMFZWCYKQPQI-HXUWFJFHSA-N 1 3 360.546 2.595 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[N@@H+]1C ZINC000465825246 516267638 /nfs/dbraw/zinc/26/76/38/516267638.db2.gz CUDYKNYNHVHYNE-IKGGRYGDSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[N@H+]1C ZINC000465825246 516267643 /nfs/dbraw/zinc/26/76/43/516267643.db2.gz CUDYKNYNHVHYNE-IKGGRYGDSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512442175 516280825 /nfs/dbraw/zinc/28/08/25/516280825.db2.gz WKGQZNNXGXDHQD-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512442175 516280830 /nfs/dbraw/zinc/28/08/30/516280830.db2.gz WKGQZNNXGXDHQD-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000497364567 516314199 /nfs/dbraw/zinc/31/41/99/516314199.db2.gz ISJJNWYNBSJCCC-BVOGOJNSSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000497364567 516314203 /nfs/dbraw/zinc/31/42/03/516314203.db2.gz ISJJNWYNBSJCCC-BVOGOJNSSA-N 1 3 370.541 2.948 20 0 FFADHO CN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497418178 516321189 /nfs/dbraw/zinc/32/11/89/516321189.db2.gz QFMIZWDUJBQIPQ-TYPHKJRUSA-N 1 3 355.526 2.855 20 0 FFADHO CN1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497418178 516321191 /nfs/dbraw/zinc/32/11/91/516321191.db2.gz QFMIZWDUJBQIPQ-TYPHKJRUSA-N 1 3 355.526 2.855 20 0 FFADHO Cc1ccccc1C[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000528315889 516342157 /nfs/dbraw/zinc/34/21/57/516342157.db2.gz OMSYUSVEKUHABR-GOSISDBHSA-N 1 3 357.542 2.848 20 0 FFADHO CCS[C@H]1CCC[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557635344 516349912 /nfs/dbraw/zinc/34/99/12/516349912.db2.gz YRYAILRAAIZHSL-MOPGFXCFSA-N 1 3 367.603 2.973 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)CC1 ZINC000550644587 516366259 /nfs/dbraw/zinc/36/62/59/516366259.db2.gz VABZTAGVLOGPIB-HXUWFJFHSA-N 1 3 352.478 2.737 20 0 FFADHO CC(C)(CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000561110367 516383582 /nfs/dbraw/zinc/38/35/82/516383582.db2.gz XLCHBCKBDNBFRC-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000561186571 516436158 /nfs/dbraw/zinc/43/61/58/516436158.db2.gz WKGINCSNHAMXBS-MLYOOKFZSA-N 1 3 358.530 2.571 20 0 FFADHO C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc2n[nH]cc2c1 ZINC000513201822 516517926 /nfs/dbraw/zinc/51/79/26/516517926.db2.gz RCEDJGWIASPZGJ-QRWLVFNGSA-N 1 3 365.481 2.633 20 0 FFADHO C[C@@H]1C[C@H](CC[NH2+][C@@H](CS(C)(=O)=O)C2CC2)CN1Cc1ccccc1 ZINC000551087427 516556864 /nfs/dbraw/zinc/55/68/64/516556864.db2.gz QRIGRSJUUSLIQT-KPFFTGBYSA-N 1 3 364.555 2.700 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)Cc1ccco1 ZINC000558033310 516563874 /nfs/dbraw/zinc/56/38/74/516563874.db2.gz WCLZCOGYYWCXGA-SFHVURJKSA-N 1 3 364.534 2.863 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)Cc1ccco1 ZINC000558033310 516563882 /nfs/dbraw/zinc/56/38/82/516563882.db2.gz WCLZCOGYYWCXGA-SFHVURJKSA-N 1 3 364.534 2.863 20 0 FFADHO c1ccc2c(c1)OC[C@H](CN[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)O2 ZINC000518164366 516565223 /nfs/dbraw/zinc/56/52/23/516565223.db2.gz RAVGOJRPHKVYOK-WJPUGNRLSA-N 1 3 352.434 2.672 20 0 FFADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000528717216 516642366 /nfs/dbraw/zinc/64/23/66/516642366.db2.gz SOERVQDKDWEMGN-UHFFFAOYSA-N 1 3 372.513 2.898 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528718820 516643219 /nfs/dbraw/zinc/64/32/19/516643219.db2.gz ZGLJWPJGYQPFNO-OWCLPIDISA-N 1 3 360.502 2.657 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528718820 516643231 /nfs/dbraw/zinc/64/32/31/516643231.db2.gz ZGLJWPJGYQPFNO-OWCLPIDISA-N 1 3 360.502 2.657 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513517289 516657656 /nfs/dbraw/zinc/65/76/56/516657656.db2.gz HJQHRWSRFJWAQA-JOCHJYFZSA-N 1 3 367.541 2.768 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000536162015 516658524 /nfs/dbraw/zinc/65/85/24/516658524.db2.gz XWDMZQVHIKGVIM-LFGUQSLTSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000536162015 516658532 /nfs/dbraw/zinc/65/85/32/516658532.db2.gz XWDMZQVHIKGVIM-LFGUQSLTSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000558287833 516679289 /nfs/dbraw/zinc/67/92/89/516679289.db2.gz QMOPMPXNZONXNM-FUHWJXTLSA-N 1 3 360.502 2.718 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C1CC1 ZINC000561635496 516692874 /nfs/dbraw/zinc/69/28/74/516692874.db2.gz OTQCAJZXUYTNPT-AVRDEDQJSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C1CC1 ZINC000561635496 516692882 /nfs/dbraw/zinc/69/28/82/516692882.db2.gz OTQCAJZXUYTNPT-AVRDEDQJSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000518712380 516749282 /nfs/dbraw/zinc/74/92/82/516749282.db2.gz QGEAUFKVPLSLQP-ROUUACIJSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000518712380 516749294 /nfs/dbraw/zinc/74/92/94/516749294.db2.gz QGEAUFKVPLSLQP-ROUUACIJSA-N 1 3 373.545 2.638 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc1 ZINC000518777083 516768169 /nfs/dbraw/zinc/76/81/69/516768169.db2.gz QMQXXDMWFJNREU-IBGZPJMESA-N 1 3 367.493 2.937 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000555075377 516769966 /nfs/dbraw/zinc/76/99/66/516769966.db2.gz YVHWHERYDZFDBC-MAUKXSAKSA-N 1 3 366.937 2.974 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000555211924 516831682 /nfs/dbraw/zinc/83/16/82/516831682.db2.gz AJYAIYRIZLSKFH-LJQANCHMSA-N 1 3 360.546 2.880 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000514163261 516887914 /nfs/dbraw/zinc/88/79/14/516887914.db2.gz VWQXHBZZFOZAHH-HXUWFJFHSA-N 1 3 360.546 2.723 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000514163261 516887923 /nfs/dbraw/zinc/88/79/23/516887923.db2.gz VWQXHBZZFOZAHH-HXUWFJFHSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000514173932 516889535 /nfs/dbraw/zinc/88/95/35/516889535.db2.gz ZVWXJUMZKSHUGW-AZUAARDMSA-N 1 3 358.530 2.681 20 0 FFADHO CCc1nn(C)c(CC)c1CN1CCC(OCC[NH+](CC)CC)CC1 ZINC000536710380 516906237 /nfs/dbraw/zinc/90/62/37/516906237.db2.gz RULGCRCEIPAZJR-UHFFFAOYSA-N 1 3 350.551 2.868 20 0 FFADHO C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000519303514 516953410 /nfs/dbraw/zinc/95/34/10/516953410.db2.gz QMJMNXCHVPTEHG-QWFCFKBJSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000519388481 516982713 /nfs/dbraw/zinc/98/27/13/516982713.db2.gz PAPUUIMLJLDKCZ-HDICACEKSA-N 1 3 350.551 2.767 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000514663380 516990087 /nfs/dbraw/zinc/99/00/87/516990087.db2.gz OIDHFULVCFVSKA-MOPGFXCFSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cccc(OCCN(C)C)c1 ZINC000532521550 517017821 /nfs/dbraw/zinc/01/78/21/517017821.db2.gz DJAKDXPJWNNXJV-KRWDZBQOSA-N 1 3 354.494 2.808 20 0 FFADHO C[C@@H]1C[C@@H](N(C)CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC000537165377 517062133 /nfs/dbraw/zinc/06/21/33/517062133.db2.gz AOPWMOCKVBCYCY-ZDFPQIBNSA-N 1 3 357.542 2.835 20 0 FFADHO C[C@@H]1C[C@@H](N(C)CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC000537165377 517062142 /nfs/dbraw/zinc/06/21/42/517062142.db2.gz AOPWMOCKVBCYCY-ZDFPQIBNSA-N 1 3 357.542 2.835 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529327678 517083817 /nfs/dbraw/zinc/08/38/17/517083817.db2.gz CGWHIFAFGDKFSR-RBUKOAKNSA-N 1 3 370.541 2.871 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000529353659 517096662 /nfs/dbraw/zinc/09/66/62/517096662.db2.gz ZCNISSSHKSRLJD-TZIWHRDSSA-N 1 3 368.525 2.579 20 0 FFADHO C[NH+](C)CCN1CCC(N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541549977 517109088 /nfs/dbraw/zinc/10/90/88/517109088.db2.gz NFYMDHOCLMHARO-NRFANRHFSA-N 1 3 356.489 2.926 20 0 FFADHO CN(C)CC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541549977 517109098 /nfs/dbraw/zinc/10/90/98/517109098.db2.gz NFYMDHOCLMHARO-NRFANRHFSA-N 1 3 356.489 2.926 20 0 FFADHO CCc1cccc(OCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000541663554 517161997 /nfs/dbraw/zinc/16/19/97/517161997.db2.gz WJYGEVOPDHFZSM-UHFFFAOYSA-N 1 3 359.558 2.977 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000552251414 517162449 /nfs/dbraw/zinc/16/24/49/517162449.db2.gz WGWJFLJIIVDKCX-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000552251414 517162456 /nfs/dbraw/zinc/16/24/56/517162456.db2.gz WGWJFLJIIVDKCX-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000552251414 517162461 /nfs/dbraw/zinc/16/24/61/517162461.db2.gz WGWJFLJIIVDKCX-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@@H+]3CCCC[C@H]3C)c2)CC1 ZINC000545332118 517179527 /nfs/dbraw/zinc/17/95/27/517179527.db2.gz NJQLUEGYBSKRRL-GOSISDBHSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@H+]3CCCC[C@H]3C)c2)CC1 ZINC000545332118 517179534 /nfs/dbraw/zinc/17/95/34/517179534.db2.gz NJQLUEGYBSKRRL-GOSISDBHSA-N 1 3 373.545 2.824 20 0 FFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCOCC1 ZINC000519809901 517195256 /nfs/dbraw/zinc/19/52/56/517195256.db2.gz HPUSXMQFKGIYSU-OAQYLSRUSA-N 1 3 373.541 2.679 20 0 FFADHO C[C@H](CCNC(=O)CCN(C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000541855185 517253753 /nfs/dbraw/zinc/25/37/53/517253753.db2.gz CALKSEZQNABAJQ-GOSISDBHSA-N 1 3 354.498 2.935 20 0 FFADHO C[C@H](CCNC(=O)CCN(C)c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000541855185 517253758 /nfs/dbraw/zinc/25/37/58/517253758.db2.gz CALKSEZQNABAJQ-GOSISDBHSA-N 1 3 354.498 2.935 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000520113390 517278324 /nfs/dbraw/zinc/27/83/24/517278324.db2.gz CWSTUUKNWWSISH-HNNXBMFYSA-N 1 3 370.488 2.768 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000526001061 517285572 /nfs/dbraw/zinc/28/55/72/517285572.db2.gz YWBIAYOURAGXBL-PKOBYXMFSA-N 1 3 364.509 2.597 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467290 517364562 /nfs/dbraw/zinc/36/45/62/517364562.db2.gz XASSEWAEWFKUCD-HKUYNNGSSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467290 517364570 /nfs/dbraw/zinc/36/45/70/517364570.db2.gz XASSEWAEWFKUCD-HKUYNNGSSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467290 517364579 /nfs/dbraw/zinc/36/45/79/517364579.db2.gz XASSEWAEWFKUCD-HKUYNNGSSA-N 1 3 354.922 2.928 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000562794448 517406614 /nfs/dbraw/zinc/40/66/14/517406614.db2.gz AKNJKDAJYWGHLI-INIZCTEOSA-N 1 3 350.532 2.572 20 0 FFADHO O[C@H](C[NH2+][C@H]1CCCc2c(Br)cccc21)CN1CCCC1 ZINC000542151958 517408573 /nfs/dbraw/zinc/40/85/73/517408573.db2.gz ZBYSTQDIILHGJJ-DYVFJYSZSA-N 1 3 353.304 2.873 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000538100076 517463867 /nfs/dbraw/zinc/46/38/67/517463867.db2.gz KQCWZIOHYYAUOV-FQEVSTJZSA-N 1 3 365.949 2.771 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000533809806 517624125 /nfs/dbraw/zinc/62/41/25/517624125.db2.gz YWKYLLPOMQZFRU-NRFANRHFSA-N 1 3 372.557 2.677 20 0 FFADHO FC(F)COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249649 517656200 /nfs/dbraw/zinc/65/62/00/517656200.db2.gz XHJUBHXFOMIJDH-SFHVURJKSA-N 1 3 354.441 2.921 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC000542689894 517687544 /nfs/dbraw/zinc/68/75/44/517687544.db2.gz ZCSQLAZXEYZMPH-UHFFFAOYSA-N 1 3 373.570 2.988 20 0 FFADHO CC(C)Oc1c(F)cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000516618678 517772843 /nfs/dbraw/zinc/77/28/43/517772843.db2.gz DOBVTMLZHIJNFQ-UHFFFAOYSA-N 1 3 372.460 2.709 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000542891439 517800744 /nfs/dbraw/zinc/80/07/44/517800744.db2.gz FIAZIUHKZIKADK-VAMGGRTRSA-N 1 3 367.578 2.702 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000542891439 517800750 /nfs/dbraw/zinc/80/07/50/517800750.db2.gz FIAZIUHKZIKADK-VAMGGRTRSA-N 1 3 367.578 2.702 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccccc1CC[NH3+] ZINC000516780574 517841807 /nfs/dbraw/zinc/84/18/07/517841807.db2.gz NXDDSMFJEKXNRC-UHFFFAOYSA-N 1 3 366.509 2.962 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000563375892 517861173 /nfs/dbraw/zinc/86/11/73/517861173.db2.gz FZAPKHBTZITTKO-IBGZPJMESA-N 1 3 373.541 2.514 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000563375892 517861186 /nfs/dbraw/zinc/86/11/86/517861186.db2.gz FZAPKHBTZITTKO-IBGZPJMESA-N 1 3 373.541 2.514 20 0 FFADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000563376200 517861404 /nfs/dbraw/zinc/86/14/04/517861404.db2.gz KDPKVEMBSPVTIR-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000563376200 517861408 /nfs/dbraw/zinc/86/14/08/517861408.db2.gz KDPKVEMBSPVTIR-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H](C)[NH3+] ZINC000516864994 517882440 /nfs/dbraw/zinc/88/24/40/517882440.db2.gz WSDBHUZTHARWJO-OXQOHEQNSA-N 1 3 358.530 2.777 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@H]1c1ccccc1 ZINC000527830867 517941741 /nfs/dbraw/zinc/94/17/41/517941741.db2.gz GALZFSCBEVMICY-SLFFLAALSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)[C@H]1c1ccccc1 ZINC000527830867 517941752 /nfs/dbraw/zinc/94/17/52/517941752.db2.gz GALZFSCBEVMICY-SLFFLAALSA-N 1 3 356.514 2.748 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccn(C)c1C1CCC1 ZINC000550386292 518021960 /nfs/dbraw/zinc/02/19/60/518021960.db2.gz JQXIMNMOYSSGFX-GOSISDBHSA-N 1 3 360.546 2.781 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccn(C)c1C1CCC1 ZINC000550386292 518021973 /nfs/dbraw/zinc/02/19/73/518021973.db2.gz JQXIMNMOYSSGFX-GOSISDBHSA-N 1 3 360.546 2.781 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522194474 518026597 /nfs/dbraw/zinc/02/65/97/518026597.db2.gz VBLRFSOIHBEUQA-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522194474 518026611 /nfs/dbraw/zinc/02/66/11/518026611.db2.gz VBLRFSOIHBEUQA-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3=CC[N@H+](C)CC3)c(C)c2)CC1 ZINC000539438703 518048744 /nfs/dbraw/zinc/04/87/44/518048744.db2.gz LQZMRMALGHHDKO-UHFFFAOYSA-N 1 3 371.529 2.520 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3=CC[N@@H+](C)CC3)c(C)c2)CC1 ZINC000539438703 518048750 /nfs/dbraw/zinc/04/87/50/518048750.db2.gz LQZMRMALGHHDKO-UHFFFAOYSA-N 1 3 371.529 2.520 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)c(F)c1 ZINC000560897124 518080723 /nfs/dbraw/zinc/08/07/23/518080723.db2.gz ZJSMXMQQDHEAFK-OAHLLOKOSA-N 1 3 369.912 2.926 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)[NH+]1CCC(C)CC1 ZINC000522468517 518112898 /nfs/dbraw/zinc/11/28/98/518112898.db2.gz HPGCFYRWQRKIDV-RBUKOAKNSA-N 1 3 352.567 2.726 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528148990 518118914 /nfs/dbraw/zinc/11/89/14/518118914.db2.gz JUYJJKMROZMYSY-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528148990 518118919 /nfs/dbraw/zinc/11/89/19/518118919.db2.gz JUYJJKMROZMYSY-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1nn2c(CNCC3(O)CC[NH+](C(C)C)CC3)c(C(C)C)nc2s1 ZINC000535037622 518132260 /nfs/dbraw/zinc/13/22/60/518132260.db2.gz GBJHGUXEQCSLSP-UHFFFAOYSA-N 1 3 365.547 2.548 20 0 FFADHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000517405421 518140453 /nfs/dbraw/zinc/14/04/53/518140453.db2.gz KWXRFHSSNPUGNV-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000517405421 518140462 /nfs/dbraw/zinc/14/04/62/518140462.db2.gz KWXRFHSSNPUGNV-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)c1ccccc1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522666334 518143342 /nfs/dbraw/zinc/14/33/42/518143342.db2.gz LZLYDDHSPCBYPI-UHFFFAOYSA-N 1 3 373.541 2.864 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)o1 ZINC000517423000 518145500 /nfs/dbraw/zinc/14/55/00/518145500.db2.gz OUPIJVROIRFUBF-CALCHBBNSA-N 1 3 364.534 2.924 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)o1 ZINC000517423000 518145506 /nfs/dbraw/zinc/14/55/06/518145506.db2.gz OUPIJVROIRFUBF-CALCHBBNSA-N 1 3 364.534 2.924 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000528288227 518165616 /nfs/dbraw/zinc/16/56/16/518165616.db2.gz MACSHSAYXBNRKH-MJGOQNOKSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000528288227 518165619 /nfs/dbraw/zinc/16/56/19/518165619.db2.gz MACSHSAYXBNRKH-MJGOQNOKSA-N 1 3 350.551 2.671 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000535212838 518166652 /nfs/dbraw/zinc/16/66/52/518166652.db2.gz RRSLIHWGMRHOMH-RTWAWAEBSA-N 1 3 370.541 2.634 20 0 FFADHO COc1ccc(C)cc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000566822743 518218537 /nfs/dbraw/zinc/21/85/37/518218537.db2.gz BJMRONIBQDXIFA-UHFFFAOYSA-N 1 3 373.541 2.818 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000584230044 518238288 /nfs/dbraw/zinc/23/82/88/518238288.db2.gz HRRGUMDBOIWSDD-ONTIZHBOSA-N 1 3 355.526 2.889 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000566888263 518247499 /nfs/dbraw/zinc/24/74/99/518247499.db2.gz BVSVTFGVOFFUPR-KRWDZBQOSA-N 1 3 360.546 2.505 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000566888263 518247504 /nfs/dbraw/zinc/24/75/04/518247504.db2.gz BVSVTFGVOFFUPR-KRWDZBQOSA-N 1 3 360.546 2.505 20 0 FFADHO O=C(CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCCC1 ZINC000578518589 518248061 /nfs/dbraw/zinc/24/80/61/518248061.db2.gz XZVQMUQQLFIFFH-WIYYLYMNSA-N 1 3 357.498 2.625 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000572586325 518262626 /nfs/dbraw/zinc/26/26/26/518262626.db2.gz KBKJUUYKMQXRFG-IHPCNDPISA-N 1 3 372.557 2.974 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnn1-c1ccc(F)cc1 ZINC000575789430 518280612 /nfs/dbraw/zinc/28/06/12/518280612.db2.gz ZNYMMXXBVRZQSV-FQEVSTJZSA-N 1 3 373.520 2.859 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnn1-c1ccc(F)cc1 ZINC000575789430 518280619 /nfs/dbraw/zinc/28/06/19/518280619.db2.gz ZNYMMXXBVRZQSV-FQEVSTJZSA-N 1 3 373.520 2.859 20 0 FFADHO NC[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC12CCOCC2 ZINC000584351339 518297134 /nfs/dbraw/zinc/29/71/34/518297134.db2.gz CNVWXHCTEMEKDI-SFHVURJKSA-N 1 3 367.493 2.856 20 0 FFADHO NC[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC12CCOCC2 ZINC000584351339 518297139 /nfs/dbraw/zinc/29/71/39/518297139.db2.gz CNVWXHCTEMEKDI-SFHVURJKSA-N 1 3 367.493 2.856 20 0 FFADHO [NH3+]C[C@H]1CN(CCC(=O)Nc2cccc3ccccc32)CC12CCOCC2 ZINC000584351339 518297145 /nfs/dbraw/zinc/29/71/45/518297145.db2.gz CNVWXHCTEMEKDI-SFHVURJKSA-N 1 3 367.493 2.856 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)COC(C)C)CC2)CC1 ZINC000567060858 518334910 /nfs/dbraw/zinc/33/49/10/518334910.db2.gz FEJGRTOGZGWHEP-UHFFFAOYSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000572737794 518338576 /nfs/dbraw/zinc/33/85/76/518338576.db2.gz AUIMEXZZONYNPV-DZFGPLHGSA-N 1 3 366.509 2.643 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000575920629 518344603 /nfs/dbraw/zinc/34/46/03/518344603.db2.gz FQATVVMJXIFEGA-DYESRHJHSA-N 1 3 366.509 2.855 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567108341 518355208 /nfs/dbraw/zinc/35/52/08/518355208.db2.gz JFUZZYURTRGNBE-LPHOPBHVSA-N 1 3 358.530 2.765 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567108341 518355216 /nfs/dbraw/zinc/35/52/16/518355216.db2.gz JFUZZYURTRGNBE-LPHOPBHVSA-N 1 3 358.530 2.765 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(C(C)C)nc3)CC2)CC1 ZINC000572779969 518357896 /nfs/dbraw/zinc/35/78/96/518357896.db2.gz ZVTMGAKHKNLIRB-UHFFFAOYSA-N 1 3 359.518 2.735 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)N(C)C)cc1 ZINC000578848711 518401116 /nfs/dbraw/zinc/40/11/16/518401116.db2.gz WYLHYOYOYZETFS-PZJWPPBQSA-N 1 3 358.530 2.637 20 0 FFADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000584579772 518407316 /nfs/dbraw/zinc/40/73/16/518407316.db2.gz KZUNIJYTOQSUNZ-HRCADAONSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000578863886 518410378 /nfs/dbraw/zinc/41/03/78/518410378.db2.gz AECCLKPKTQATTO-QWFCFKBJSA-N 1 3 358.530 2.728 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000584720844 518447134 /nfs/dbraw/zinc/44/71/34/518447134.db2.gz XCQINTBKZFKZEH-OAHLLOKOSA-N 1 3 361.873 2.887 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000567290637 518449983 /nfs/dbraw/zinc/44/99/83/518449983.db2.gz LVGXSRKDQKNKAC-SJORKVTESA-N 1 3 366.575 2.988 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000567290637 518449987 /nfs/dbraw/zinc/44/99/87/518449987.db2.gz LVGXSRKDQKNKAC-SJORKVTESA-N 1 3 366.575 2.988 20 0 FFADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CN(C)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000567314731 518459555 /nfs/dbraw/zinc/45/95/55/518459555.db2.gz RRWNBFJXDSYRCE-UXPWSPDFSA-N 1 3 367.484 2.533 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)[C@@H]1c1ccccc1 ZINC000570182358 518481610 /nfs/dbraw/zinc/48/16/10/518481610.db2.gz XUHHONULOBAKRM-MOPGFXCFSA-N 1 3 358.530 2.996 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)C1 ZINC000576209787 518482295 /nfs/dbraw/zinc/48/22/95/518482295.db2.gz SHCJLNXAUMAXPF-UXHICEINSA-N 1 3 352.482 2.862 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[C@@H](C)O1 ZINC000570182954 518483080 /nfs/dbraw/zinc/48/30/80/518483080.db2.gz QZHQGUUPGNJHRV-HUUCEWRRSA-N 1 3 363.527 2.579 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000573120395 518517374 /nfs/dbraw/zinc/51/73/74/518517374.db2.gz NZTPHFJCGYNVOD-LJQANCHMSA-N 1 3 360.498 2.677 20 0 FFADHO [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000570264069 518522887 /nfs/dbraw/zinc/52/28/87/518522887.db2.gz WYCFQDXXFQKHRQ-HXUWFJFHSA-N 1 3 368.481 2.558 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[N@@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000573148202 518527211 /nfs/dbraw/zinc/52/72/11/518527211.db2.gz AKFZSEAPXMYEPL-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[N@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000573148202 518527217 /nfs/dbraw/zinc/52/72/17/518527217.db2.gz AKFZSEAPXMYEPL-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000579248869 518592632 /nfs/dbraw/zinc/59/26/32/518592632.db2.gz QBIAKRCDROZZGB-GOSISDBHSA-N 1 3 364.921 2.894 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000582111920 518593070 /nfs/dbraw/zinc/59/30/70/518593070.db2.gz QETDGNHBJMCEOU-PGRDOPGGSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582111353 518593137 /nfs/dbraw/zinc/59/31/37/518593137.db2.gz IKGWYWMEESATHT-HLAWJBBLSA-N 1 3 370.541 2.860 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582111354 518593293 /nfs/dbraw/zinc/59/32/93/518593293.db2.gz IKGWYWMEESATHT-HMXCVIKNSA-N 1 3 370.541 2.860 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000564845557 518648554 /nfs/dbraw/zinc/64/85/54/518648554.db2.gz UOOXKEOTUHEWQO-QHCPKHFHSA-N 1 3 367.537 2.517 20 0 FFADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000576582170 518662846 /nfs/dbraw/zinc/66/28/46/518662846.db2.gz STYUJWXLPBYHHF-ZIAGYGMSSA-N 1 3 374.451 2.904 20 0 FFADHO CCN(CCNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000586870012 518670318 /nfs/dbraw/zinc/67/03/18/518670318.db2.gz DLPZLYFLEYFVSY-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000586870012 518670322 /nfs/dbraw/zinc/67/03/22/518670322.db2.gz DLPZLYFLEYFVSY-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000582296739 518685402 /nfs/dbraw/zinc/68/54/02/518685402.db2.gz UOKOYDQTDMKYQQ-MSOLQXFVSA-N 1 3 350.503 2.535 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000579451555 518686813 /nfs/dbraw/zinc/68/68/13/518686813.db2.gz DHUXKJLLISBFBG-HZPDHXFCSA-N 1 3 350.532 2.572 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)[C@@H]1c1cccs1 ZINC000579452630 518687211 /nfs/dbraw/zinc/68/72/11/518687211.db2.gz FBFMEFDOEULENA-ZMSDIMECSA-N 1 3 350.532 2.511 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000573493758 518693733 /nfs/dbraw/zinc/69/37/33/518693733.db2.gz GGGFBQASLPCWTN-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000573493758 518693738 /nfs/dbraw/zinc/69/37/38/518693738.db2.gz GGGFBQASLPCWTN-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[C@@H](N)c1ccccc1 ZINC000579469508 518696359 /nfs/dbraw/zinc/69/63/59/518696359.db2.gz ILLZGNWGUQHWTE-IBGZPJMESA-N 1 3 373.541 2.864 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC000573503640 518697554 /nfs/dbraw/zinc/69/75/54/518697554.db2.gz CVGZWILDTAPGFR-ROUUACIJSA-N 1 3 365.562 2.504 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)C1 ZINC000582348213 518709526 /nfs/dbraw/zinc/70/95/26/518709526.db2.gz SSKWWTFKKBZCDT-NHCUHLMSSA-N 1 3 372.488 2.789 20 0 FFADHO C[N@H+](C[C@H](O)CNCC1(c2ccccc2Br)CCC1)C1CC1 ZINC000576697900 518717147 /nfs/dbraw/zinc/71/71/47/518717147.db2.gz NXBNVZDGDQAZOQ-OAHLLOKOSA-N 1 3 367.331 2.916 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC1(c2ccccc2Br)CCC1)C1CC1 ZINC000576697900 518717151 /nfs/dbraw/zinc/71/71/51/518717151.db2.gz NXBNVZDGDQAZOQ-OAHLLOKOSA-N 1 3 367.331 2.916 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000576749121 518743159 /nfs/dbraw/zinc/74/31/59/518743159.db2.gz MYSSMGSXRCRNCJ-SJLPKXTDSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000576749121 518743168 /nfs/dbraw/zinc/74/31/68/518743168.db2.gz MYSSMGSXRCRNCJ-SJLPKXTDSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000576749121 518743174 /nfs/dbraw/zinc/74/31/74/518743174.db2.gz MYSSMGSXRCRNCJ-SJLPKXTDSA-N 1 3 354.922 2.928 20 0 FFADHO COc1cc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)ccc1OCCN(C)C ZINC000565032788 518751388 /nfs/dbraw/zinc/75/13/88/518751388.db2.gz QOMCLIHRZLRMQR-HNNXBMFYSA-N 1 3 371.481 2.585 20 0 FFADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000579592769 518756685 /nfs/dbraw/zinc/75/66/85/518756685.db2.gz GVRBAWUMKVGTIY-SVFBPWRDSA-N 1 3 371.525 2.680 20 0 FFADHO Cc1cc2cc(CN[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc2cc1C ZINC000570782517 518776060 /nfs/dbraw/zinc/77/60/60/518776060.db2.gz YFKMXABJJKASKS-NQIIRXRSSA-N 1 3 355.482 2.786 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000573694001 518790869 /nfs/dbraw/zinc/79/08/69/518790869.db2.gz FURBAGHBKZGTRE-OAQYLSRUSA-N 1 3 372.513 2.769 20 0 FFADHO Cn1c2ccccc2cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000573739673 518811467 /nfs/dbraw/zinc/81/14/67/518811467.db2.gz BNSZQZRKESKSIY-DYESRHJHSA-N 1 3 351.494 2.987 20 0 FFADHO Cn1c2ccccc2cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000573739673 518811474 /nfs/dbraw/zinc/81/14/74/518811474.db2.gz BNSZQZRKESKSIY-DYESRHJHSA-N 1 3 351.494 2.987 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)CN3CCOCC3)C2)s1 ZINC000567994537 518820539 /nfs/dbraw/zinc/82/05/39/518820539.db2.gz OWMALSXSYRQYII-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)CN3CCOCC3)C2)s1 ZINC000567994537 518820546 /nfs/dbraw/zinc/82/05/46/518820546.db2.gz OWMALSXSYRQYII-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)CN3CCOCC3)C2)s1 ZINC000567994538 518821289 /nfs/dbraw/zinc/82/12/89/518821289.db2.gz OWMALSXSYRQYII-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)CN3CCOCC3)C2)s1 ZINC000567994538 518821291 /nfs/dbraw/zinc/82/12/91/518821291.db2.gz OWMALSXSYRQYII-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nc(C)c(C)s3)CC2)CC1 ZINC000565191937 518835244 /nfs/dbraw/zinc/83/52/44/518835244.db2.gz XPODMWXJFRWURM-UHFFFAOYSA-N 1 3 364.559 2.572 20 0 FFADHO [NH3+]CCC1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000570934644 518851200 /nfs/dbraw/zinc/85/12/00/518851200.db2.gz MLFWYKRCTFPELS-UHFFFAOYSA-N 1 3 364.559 2.731 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000579811477 518866796 /nfs/dbraw/zinc/86/67/96/518866796.db2.gz XYQXYFKDSMOTCD-LJQANCHMSA-N 1 3 374.529 2.999 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cnn(C)c1 ZINC000579861508 518892334 /nfs/dbraw/zinc/89/23/34/518892334.db2.gz VPMBURZDSCWGKI-NQIIRXRSSA-N 1 3 368.525 3.000 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000582724950 518893255 /nfs/dbraw/zinc/89/32/55/518893255.db2.gz JVFCHOWUTIUQAE-UIFIKXQLSA-N 1 3 357.542 2.963 20 0 FFADHO CSc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000571039932 518897616 /nfs/dbraw/zinc/89/76/16/518897616.db2.gz NZIJLEFFZCMMBQ-DLBZAZTESA-N 1 3 352.544 2.858 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccccn3)CC2)CC1 ZINC000568190968 518916149 /nfs/dbraw/zinc/91/61/49/518916149.db2.gz VANGIELDXBPKIV-NRFANRHFSA-N 1 3 370.541 2.941 20 0 FFADHO COc1cc(OC)c(CNCC2(SC)CC[NH+](C)CC2)c(OC)c1 ZINC000577106232 518917498 /nfs/dbraw/zinc/91/74/98/518917498.db2.gz ADHFZVMVURGQST-UHFFFAOYSA-N 1 3 354.516 2.629 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](Cn3cccn3)C(C)C)cc2)CC1 ZINC000573985806 518932057 /nfs/dbraw/zinc/93/20/57/518932057.db2.gz GBUHESDVIMNDMM-JOCHJYFZSA-N 1 3 369.557 2.835 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)c2)CC1 ZINC000577161994 518943841 /nfs/dbraw/zinc/94/38/41/518943841.db2.gz IISLTKWEOVZVSH-IYARVYRRSA-N 1 3 373.545 2.715 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000589217069 518955118 /nfs/dbraw/zinc/95/51/18/518955118.db2.gz ADTVUBIKNUXRAH-DLBZAZTESA-N 1 3 366.575 2.990 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000589217069 518955126 /nfs/dbraw/zinc/95/51/26/518955126.db2.gz ADTVUBIKNUXRAH-DLBZAZTESA-N 1 3 366.575 2.990 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000580070816 518993704 /nfs/dbraw/zinc/99/37/04/518993704.db2.gz AQBWRTARDAROIS-IIDMSEBBSA-N 1 3 350.507 2.503 20 0 FFADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000580088656 519002705 /nfs/dbraw/zinc/00/27/05/519002705.db2.gz RVSHZWRRDBICRZ-KOUHRCEDSA-N 1 3 370.541 2.717 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCO[C@H](C(C)C)C3)CC2)CC1 ZINC000580092270 519005081 /nfs/dbraw/zinc/00/50/81/519005081.db2.gz ARBVAEDPTROJEW-QUCCMNQESA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H]1C[C@@H](NCCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000582959776 519009190 /nfs/dbraw/zinc/00/91/90/519009190.db2.gz NEPOPHFPXDCWAB-JSGCOSHPSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@H]1C[C@@H](NCCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000582959776 519009197 /nfs/dbraw/zinc/00/91/97/519009197.db2.gz NEPOPHFPXDCWAB-JSGCOSHPSA-N 1 3 354.292 2.850 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000580170535 519040175 /nfs/dbraw/zinc/04/01/75/519040175.db2.gz YABOBJCJIQBFPI-SFHVURJKSA-N 1 3 364.493 2.976 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000580170535 519040182 /nfs/dbraw/zinc/04/01/82/519040182.db2.gz YABOBJCJIQBFPI-SFHVURJKSA-N 1 3 364.493 2.976 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000574261646 519068794 /nfs/dbraw/zinc/06/87/94/519068794.db2.gz MYWCUUWZAMRTIM-JXFKEZNVSA-N 1 3 358.530 2.765 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000574261646 519068797 /nfs/dbraw/zinc/06/87/97/519068797.db2.gz MYWCUUWZAMRTIM-JXFKEZNVSA-N 1 3 358.530 2.765 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000574274364 519075084 /nfs/dbraw/zinc/07/50/84/519075084.db2.gz DXRCMKAKWQGMKD-LEWJYISDSA-N 1 3 373.541 2.557 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000577512837 519119716 /nfs/dbraw/zinc/11/97/16/519119716.db2.gz YUITYLYVCFDZTM-FPOVZHCZSA-N 1 3 366.509 2.672 20 0 FFADHO C[C@@]1(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000571528286 519141712 /nfs/dbraw/zinc/14/17/12/519141712.db2.gz WWQCTCOUDMRUGA-DENIHFKCSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@]1(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000571528286 519141719 /nfs/dbraw/zinc/14/17/19/519141719.db2.gz WWQCTCOUDMRUGA-DENIHFKCSA-N 1 3 370.541 2.967 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000577569605 519143055 /nfs/dbraw/zinc/14/30/55/519143055.db2.gz JTYLVXJPEGQUBF-CYBMUJFWSA-N 1 3 358.939 2.524 20 0 FFADHO c1c(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2n1CCCC2 ZINC000580420944 519169158 /nfs/dbraw/zinc/16/91/58/519169158.db2.gz MLVJGVRWICSJHG-NQIIRXRSSA-N 1 3 352.482 2.607 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C[C@@H]21 ZINC000580445813 519181498 /nfs/dbraw/zinc/18/14/98/519181498.db2.gz GPNCWXWLEAWZOL-IARIHHJXSA-N 1 3 367.415 2.870 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000583379948 519217580 /nfs/dbraw/zinc/21/75/80/519217580.db2.gz ZSAJBGACOBZRNA-UHFFFAOYSA-N 1 3 366.509 2.918 20 0 FFADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Cc1ccc2ccccc2c1 ZINC000577722079 519222657 /nfs/dbraw/zinc/22/26/57/519222657.db2.gz FXWXTMKJJBTGIO-ZRBLBEILSA-N 1 3 368.521 2.711 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000577740050 519231735 /nfs/dbraw/zinc/23/17/35/519231735.db2.gz OKLIKBCBDJEWGS-FQEVSTJZSA-N 1 3 363.571 2.842 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000577747602 519236120 /nfs/dbraw/zinc/23/61/20/519236120.db2.gz PBLGXBVOESUTHS-CNNODRBYSA-N 1 3 373.541 2.629 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cn1 ZINC000571734654 519244962 /nfs/dbraw/zinc/24/49/62/519244962.db2.gz IFPMWAJQLRNIIY-DZGCQCFKSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cn1 ZINC000571734654 519244968 /nfs/dbraw/zinc/24/49/68/519244968.db2.gz IFPMWAJQLRNIIY-DZGCQCFKSA-N 1 3 356.308 2.732 20 0 FFADHO O[C@H]1CC[N@H+](Cc2cccc(NC3CCN(Cc4ccncc4)CC3)c2)C1 ZINC000583539233 519298909 /nfs/dbraw/zinc/29/89/09/519298909.db2.gz ZNCZUVBDACKZNE-QFIPXVFZSA-N 1 3 366.509 2.725 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2cccc(NC3CCN(Cc4ccncc4)CC3)c2)C1 ZINC000583539233 519298921 /nfs/dbraw/zinc/29/89/21/519298921.db2.gz ZNCZUVBDACKZNE-QFIPXVFZSA-N 1 3 366.509 2.725 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c2ccccc2)CC1 ZINC000568965998 519308279 /nfs/dbraw/zinc/30/82/79/519308279.db2.gz WWLUNURKTLMIFF-YSIASYRMSA-N 1 3 358.530 2.899 20 0 FFADHO CCC1(C[NH2+]C[C@H](C)S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000574750418 519312955 /nfs/dbraw/zinc/31/29/55/519312955.db2.gz RMVMSAFQWSLLKG-KRWDZBQOSA-N 1 3 352.544 2.702 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000580763256 519345785 /nfs/dbraw/zinc/34/57/85/519345785.db2.gz GLSQCWISJTUDSI-YVWKXTFCSA-N 1 3 358.530 2.511 20 0 FFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000566190776 519361779 /nfs/dbraw/zinc/36/17/79/519361779.db2.gz JCHOBIQEQPAOCI-DLBZAZTESA-N 1 3 371.447 2.984 20 0 FFADHO Cn1nc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000578005105 519365755 /nfs/dbraw/zinc/36/57/55/519365755.db2.gz DUHPCVZSOQVTGX-KNQAVFIVSA-N 1 3 362.477 2.961 20 0 FFADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000590787031 519371147 /nfs/dbraw/zinc/37/11/47/519371147.db2.gz UMLHQRRZJNKHPC-QGZVFWFLSA-N 1 3 363.521 2.925 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000590787031 519371154 /nfs/dbraw/zinc/37/11/54/519371154.db2.gz UMLHQRRZJNKHPC-QGZVFWFLSA-N 1 3 363.521 2.925 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000569112249 519384445 /nfs/dbraw/zinc/38/44/45/519384445.db2.gz VOFKDUKRFIXJCG-HIFRSBDPSA-N 1 3 358.404 2.685 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000572037877 519411147 /nfs/dbraw/zinc/41/11/47/519411147.db2.gz ABDKOMFDMCWELQ-VJBWXMMDSA-N 1 3 368.521 2.641 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000572037877 519411152 /nfs/dbraw/zinc/41/11/52/519411152.db2.gz ABDKOMFDMCWELQ-VJBWXMMDSA-N 1 3 368.521 2.641 20 0 FFADHO Cc1cnc(CCN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C)c1 ZINC000580889610 519411389 /nfs/dbraw/zinc/41/13/89/519411389.db2.gz AOFPQZCDMHPCRO-UHFFFAOYSA-N 1 3 374.573 2.657 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CC2CCCCC2)[C@@H](C)C1 ZINC000566297827 519420584 /nfs/dbraw/zinc/42/05/84/519420584.db2.gz RDZGOEQOPMDTEZ-UHOSZYNNSA-N 1 3 353.551 2.537 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CC2CCCCC2)[C@@H](C)C1 ZINC000566297827 519420586 /nfs/dbraw/zinc/42/05/86/519420586.db2.gz RDZGOEQOPMDTEZ-UHOSZYNNSA-N 1 3 353.551 2.537 20 0 FFADHO NC(=O)c1ccc(-c2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000566302749 519423735 /nfs/dbraw/zinc/42/37/35/519423735.db2.gz SFPLOCQMBFDKNY-IRXDYDNUSA-N 1 3 370.522 2.731 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000591099608 519512302 /nfs/dbraw/zinc/51/23/02/519512302.db2.gz VAMQSFBRWCVUDC-ZWKOTPCHSA-N 1 3 371.525 2.906 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000591099608 519512308 /nfs/dbraw/zinc/51/23/08/519512308.db2.gz VAMQSFBRWCVUDC-ZWKOTPCHSA-N 1 3 371.525 2.906 20 0 FFADHO Cc1c(F)cccc1NC(=O)CCNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000578351140 519550677 /nfs/dbraw/zinc/55/06/77/519550677.db2.gz IIEWXJSFUHBNQE-OAHLLOKOSA-N 1 3 351.466 2.553 20 0 FFADHO Cc1c(F)cccc1NC(=O)CCNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000578351140 519550690 /nfs/dbraw/zinc/55/06/90/519550690.db2.gz IIEWXJSFUHBNQE-OAHLLOKOSA-N 1 3 351.466 2.553 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000569458009 519561830 /nfs/dbraw/zinc/56/18/30/519561830.db2.gz ZODXDVIAZAMDGT-XAMWDVODSA-N 1 3 358.530 2.621 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000569458009 519561832 /nfs/dbraw/zinc/56/18/32/519561832.db2.gz ZODXDVIAZAMDGT-XAMWDVODSA-N 1 3 358.530 2.621 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N(C)C ZINC000572380971 519586102 /nfs/dbraw/zinc/58/61/02/519586102.db2.gz JVAXKRWDRNEYDC-CUWPLCDZSA-N 1 3 358.530 2.771 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000578431019 519589323 /nfs/dbraw/zinc/58/93/23/519589323.db2.gz KGEBHCHNSNRBLW-SFTDATJTSA-N 1 3 372.557 2.920 20 0 FFADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000566667596 519603660 /nfs/dbraw/zinc/60/36/60/519603660.db2.gz ORDGRJMJSRYUQG-HXUWFJFHSA-N 1 3 372.557 2.771 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000566673361 519605583 /nfs/dbraw/zinc/60/55/83/519605583.db2.gz KAYJCXXLPMRQPV-AWEZNQCLSA-N 1 3 359.297 2.950 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000584170831 519622143 /nfs/dbraw/zinc/62/21/43/519622143.db2.gz MBDSISMAPRVMTC-KNQAVFIVSA-N 1 3 363.505 2.554 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000584170831 519622149 /nfs/dbraw/zinc/62/21/49/519622149.db2.gz MBDSISMAPRVMTC-KNQAVFIVSA-N 1 3 363.505 2.554 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCS[C@H](C)CC3)CC2)CC1 ZINC000566747471 519629628 /nfs/dbraw/zinc/62/96/28/519629628.db2.gz UFRSXPSDMSLMAN-MRXNPFEDSA-N 1 3 353.576 2.537 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H]1c1cccs1 ZINC000612974040 520250256 /nfs/dbraw/zinc/25/02/56/520250256.db2.gz NXSBFCIVTVHRKU-DJIMGWMZSA-N 1 3 362.543 2.572 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000592493482 520416026 /nfs/dbraw/zinc/41/60/26/520416026.db2.gz SQMKHININMVIDZ-QZTJIDSGSA-N 1 3 372.513 2.663 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000592492995 520416892 /nfs/dbraw/zinc/41/68/92/520416892.db2.gz LFYJAXKOWHCSMX-MSOLQXFVSA-N 1 3 372.513 2.663 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000617504879 520543322 /nfs/dbraw/zinc/54/33/22/520543322.db2.gz NVHLAJYOCQVIEL-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000617504879 520543325 /nfs/dbraw/zinc/54/33/25/520543325.db2.gz NVHLAJYOCQVIEL-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO CSC1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C)CC1 ZINC000595636232 520613991 /nfs/dbraw/zinc/61/39/91/520613991.db2.gz QKXGNEICRFJNOL-INIZCTEOSA-N 1 3 368.591 2.520 20 0 FFADHO CSC1(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCN(C)CC1 ZINC000595636232 520613994 /nfs/dbraw/zinc/61/39/94/520613994.db2.gz QKXGNEICRFJNOL-INIZCTEOSA-N 1 3 368.591 2.520 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000601254596 520709861 /nfs/dbraw/zinc/70/98/61/520709861.db2.gz SAIPRBANMUQTQB-QGZVFWFLSA-N 1 3 368.591 2.520 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614028779 520770183 /nfs/dbraw/zinc/77/01/83/520770183.db2.gz OYMVCLARNMLUGI-LEWJYISDSA-N 1 3 355.526 2.999 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1ccccc1F ZINC000606360773 521036056 /nfs/dbraw/zinc/03/60/56/521036056.db2.gz RTFGLNATQZHEAE-IEBWSBKVSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1ccccc1F ZINC000606360773 521036062 /nfs/dbraw/zinc/03/60/62/521036062.db2.gz RTFGLNATQZHEAE-IEBWSBKVSA-N 1 3 363.521 2.879 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599308299 521140955 /nfs/dbraw/zinc/14/09/55/521140955.db2.gz UJIQHSMCNSUXGN-XPQZIERPSA-N 1 3 368.562 2.913 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599308299 521140962 /nfs/dbraw/zinc/14/09/62/521140962.db2.gz UJIQHSMCNSUXGN-XPQZIERPSA-N 1 3 368.562 2.913 20 0 FFADHO CCCN(C)C[C@@H]1CC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599308299 521140969 /nfs/dbraw/zinc/14/09/69/521140969.db2.gz UJIQHSMCNSUXGN-XPQZIERPSA-N 1 3 368.562 2.913 20 0 FFADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599308299 521140973 /nfs/dbraw/zinc/14/09/73/521140973.db2.gz UJIQHSMCNSUXGN-XPQZIERPSA-N 1 3 368.562 2.913 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000618930509 521304500 /nfs/dbraw/zinc/30/45/00/521304500.db2.gz ONXOHEUAWKTUGE-FXAWDEMLSA-N 1 3 358.530 2.805 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C2)C1 ZINC000615357192 521383030 /nfs/dbraw/zinc/38/30/30/521383030.db2.gz WUFLMCSPJNSKJY-IRLDBZIGSA-N 1 3 355.526 2.810 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615510648 521425443 /nfs/dbraw/zinc/42/54/43/521425443.db2.gz QPOWUXMEGWWAFP-KRWDZBQOSA-N 1 3 359.514 2.573 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)n1 ZINC000602666088 521467830 /nfs/dbraw/zinc/46/78/30/521467830.db2.gz JRAWPATXDBQULA-NVXWUHKLSA-N 1 3 356.470 2.621 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)n1 ZINC000602666088 521467842 /nfs/dbraw/zinc/46/78/42/521467842.db2.gz JRAWPATXDBQULA-NVXWUHKLSA-N 1 3 356.470 2.621 20 0 FFADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000602714352 521491231 /nfs/dbraw/zinc/49/12/31/521491231.db2.gz HKEYJVRENQGINU-QGZVFWFLSA-N 1 3 354.535 2.569 20 0 FFADHO CC(C)(O)C[NH+]1CCC(NC[C@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000602714351 521492026 /nfs/dbraw/zinc/49/20/26/521492026.db2.gz HKEYJVRENQGINU-KRWDZBQOSA-N 1 3 354.535 2.569 20 0 FFADHO Cc1cccc(NC(=O)C[C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1C ZINC000635009001 521863818 /nfs/dbraw/zinc/86/38/18/521863818.db2.gz LOYJCAPYUFEJHH-INIZCTEOSA-N 1 3 367.497 2.937 20 0 FFADHO Cn1ccnc1[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(F)c1 ZINC000635009529 521863930 /nfs/dbraw/zinc/86/39/30/521863930.db2.gz NVAXGGTXUQEXNE-LJQANCHMSA-N 1 3 366.444 2.565 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000623643691 522187747 /nfs/dbraw/zinc/18/77/47/522187747.db2.gz OSOJTGICGDVXJX-HDAAZOAOSA-N 1 3 372.557 2.776 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000623643691 522187755 /nfs/dbraw/zinc/18/77/55/522187755.db2.gz OSOJTGICGDVXJX-HDAAZOAOSA-N 1 3 372.557 2.776 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000623643692 522188874 /nfs/dbraw/zinc/18/88/74/522188874.db2.gz OSOJTGICGDVXJX-JTJHWIPRSA-N 1 3 372.557 2.776 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000623643692 522188884 /nfs/dbraw/zinc/18/88/84/522188884.db2.gz OSOJTGICGDVXJX-JTJHWIPRSA-N 1 3 372.557 2.776 20 0 FFADHO FC(F)CN1CCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629518857 522295455 /nfs/dbraw/zinc/29/54/55/522295455.db2.gz MJTQSQWKXUPVOM-ALKREAHSSA-N 1 3 351.441 2.561 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629529766 522299290 /nfs/dbraw/zinc/29/92/90/522299290.db2.gz MJVBVJPZOPTOIE-LRDDRELGSA-N 1 3 366.303 2.763 20 0 FFADHO O[C@@H](CN[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C[NH+]1CCCC1 ZINC000629579067 522327698 /nfs/dbraw/zinc/32/76/98/522327698.db2.gz QCQVNXYBRNHNLU-KKUMJFAQSA-N 1 3 371.294 2.881 20 0 FFADHO O[C@H](CN[C@H]1C[C@H](c2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000629580329 522328382 /nfs/dbraw/zinc/32/83/82/522328382.db2.gz QSDWKMNOJHCCBJ-DJIMGWMZSA-N 1 3 353.304 2.741 20 0 FFADHO CN1CCC(n2cc(NC(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)cn2)CC1 ZINC000632961939 522431530 /nfs/dbraw/zinc/43/15/30/522431530.db2.gz WVXUGJDFUKIDSE-APWZRJJASA-N 1 3 374.533 2.536 20 0 FFADHO CN(CC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C1CCC1 ZINC000629948360 522539703 /nfs/dbraw/zinc/53/97/03/522539703.db2.gz YZDBETLTJPYBGS-SFHVURJKSA-N 1 3 357.498 2.575 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000626934104 522540615 /nfs/dbraw/zinc/54/06/15/522540615.db2.gz STSRCXKQMAJIAA-CVEARBPZSA-N 1 3 350.532 2.715 20 0 FFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000630044928 522605069 /nfs/dbraw/zinc/60/50/69/522605069.db2.gz PCIVUAZUHFQDIA-RTWAWAEBSA-N 1 3 361.530 2.532 20 0 FFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000630044928 522605073 /nfs/dbraw/zinc/60/50/73/522605073.db2.gz PCIVUAZUHFQDIA-RTWAWAEBSA-N 1 3 361.530 2.532 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000633341944 522683842 /nfs/dbraw/zinc/68/38/42/522683842.db2.gz FINYIVKWDOTEIB-QGZVFWFLSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](C)[C@H](CO)C3)c2)C[C@@H]1CO ZINC000621370730 522806978 /nfs/dbraw/zinc/80/69/78/522806978.db2.gz PTMMEFHAGQOCDF-VVIORFSUSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](C)[C@H](CO)C3)c2)C[C@@H]1CO ZINC000621370730 522806987 /nfs/dbraw/zinc/80/69/87/522806987.db2.gz PTMMEFHAGQOCDF-VVIORFSUSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](C)[C@H](CO)C3)c2)C[C@@H]1CO ZINC000621370730 522806992 /nfs/dbraw/zinc/80/69/92/522806992.db2.gz PTMMEFHAGQOCDF-VVIORFSUSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](C)[C@H](CO)C3)c2)C[C@@H]1CO ZINC000621370730 522807001 /nfs/dbraw/zinc/80/70/01/522807001.db2.gz PTMMEFHAGQOCDF-VVIORFSUSA-N 1 3 360.542 2.587 20 0 FFADHO CN(C)[C@@H](CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000636456295 522990939 /nfs/dbraw/zinc/99/09/39/522990939.db2.gz WJBPGJLKIZZYNG-IBGZPJMESA-N 1 3 370.501 2.574 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000621641726 522991180 /nfs/dbraw/zinc/99/11/80/522991180.db2.gz UKKWILGATDJGGI-XLIONFOSSA-N 1 3 361.530 2.974 20 0 FFADHO CC1(C)CN(C2(CNC(=O)CC[C@H]3CCC[NH2+]C3)CCCCC2)CCO1 ZINC000621647214 522994933 /nfs/dbraw/zinc/99/49/33/522994933.db2.gz FUYDQIAWPIUJEG-GOSISDBHSA-N 1 3 365.562 2.696 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621662050 523004660 /nfs/dbraw/zinc/00/46/60/523004660.db2.gz ISCHNAPNDSAULX-YLJYHZDGSA-N 1 3 359.514 2.728 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621690895 523021393 /nfs/dbraw/zinc/02/13/93/523021393.db2.gz ZKODNEMCNUDCMM-JBYIUTFZSA-N 1 3 371.525 2.893 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc2cnccc21 ZINC000625026188 523110500 /nfs/dbraw/zinc/11/05/00/523110500.db2.gz POLHNXUCKQQCNH-FQEVSTJZSA-N 1 3 368.525 2.652 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc2cnccc21 ZINC000625026188 523110507 /nfs/dbraw/zinc/11/05/07/523110507.db2.gz POLHNXUCKQQCNH-FQEVSTJZSA-N 1 3 368.525 2.652 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000634133576 523203595 /nfs/dbraw/zinc/20/35/95/523203595.db2.gz OPRASQHCWOZOGK-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634133576 523203599 /nfs/dbraw/zinc/20/35/99/523203599.db2.gz OPRASQHCWOZOGK-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(c4ncco4)CC3)CC2)CC1 ZINC000627945007 523227269 /nfs/dbraw/zinc/22/72/69/523227269.db2.gz CQAPGHVECJFWAN-UHFFFAOYSA-N 1 3 374.529 2.577 20 0 FFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044697 523235843 /nfs/dbraw/zinc/23/58/43/523235843.db2.gz PRZKEEOIOCSKOJ-KKSFZXQISA-N 1 3 367.493 2.695 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cc2)cc1 ZINC000622044954 523236522 /nfs/dbraw/zinc/23/65/22/523236522.db2.gz YRXAJLYDQJVQBV-LEWJYISDSA-N 1 3 367.493 2.967 20 0 FFADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCCN2C2CCCC2)Cc2ccccc2C1 ZINC000622391154 523384621 /nfs/dbraw/zinc/38/46/21/523384621.db2.gz ZPWTWLLJBBNPAW-OAQYLSRUSA-N 1 3 369.553 2.999 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000623071326 523658171 /nfs/dbraw/zinc/65/81/71/523658171.db2.gz FVBMJVCDQNKPIZ-UHOSZYNNSA-N 1 3 360.502 2.641 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1-c1nnn[n-]1 ZINC000821813445 599407134 /nfs/dbraw/zinc/40/71/34/599407134.db2.gz GZCZZCNFTPYEKE-OAHLLOKOSA-N 1 3 358.490 2.620 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1-c1nnn[n-]1 ZINC000821813445 599407136 /nfs/dbraw/zinc/40/71/36/599407136.db2.gz GZCZZCNFTPYEKE-OAHLLOKOSA-N 1 3 358.490 2.620 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000821813445 599407139 /nfs/dbraw/zinc/40/71/39/599407139.db2.gz GZCZZCNFTPYEKE-OAHLLOKOSA-N 1 3 358.490 2.620 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000821813445 599407141 /nfs/dbraw/zinc/40/71/41/599407141.db2.gz GZCZZCNFTPYEKE-OAHLLOKOSA-N 1 3 358.490 2.620 20 0 FFADHO CC(C)[N@H+](C)CCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063148452 728134622 /nfs/dbraw/zinc/13/46/22/728134622.db2.gz KXUUSDDBJYYQDZ-UHFFFAOYSA-N 1 3 362.587 2.845 20 0 FFADHO CC(C)[N@@H+](C)CCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063148452 728134624 /nfs/dbraw/zinc/13/46/24/728134624.db2.gz KXUUSDDBJYYQDZ-UHFFFAOYSA-N 1 3 362.587 2.845 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(CC2CCCCC2)CC1 ZINC000064125988 728144013 /nfs/dbraw/zinc/14/40/13/728144013.db2.gz CCXAIVSUKITJOB-SFHVURJKSA-N 1 3 352.592 2.543 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(CC2CCCCC2)CC1 ZINC000064125988 728144015 /nfs/dbraw/zinc/14/40/15/728144015.db2.gz CCXAIVSUKITJOB-SFHVURJKSA-N 1 3 352.592 2.543 20 0 FFADHO Cc1ccc(CNCCC[N@H+]2CCCN(C)CC2)c(Br)c1 ZINC000119095755 728587747 /nfs/dbraw/zinc/58/77/47/728587747.db2.gz JFIKBFYUXPIKLX-UHFFFAOYSA-N 1 3 354.336 2.875 20 0 FFADHO Cc1ccc(CNCCC[N@@H+]2CCCN(C)CC2)c(Br)c1 ZINC000119095755 728587749 /nfs/dbraw/zinc/58/77/49/728587749.db2.gz JFIKBFYUXPIKLX-UHFFFAOYSA-N 1 3 354.336 2.875 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000130329738 728716828 /nfs/dbraw/zinc/71/68/28/728716828.db2.gz RUULIYJVQLCPFP-FUHWJXTLSA-N 1 3 350.551 2.765 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000130329738 728716829 /nfs/dbraw/zinc/71/68/29/728716829.db2.gz RUULIYJVQLCPFP-FUHWJXTLSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)CCN1CCC([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000924812095 738452353 /nfs/dbraw/zinc/45/23/53/738452353.db2.gz ZLBAFTUEYNKDLT-UHFFFAOYSA-N 1 3 353.532 2.658 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000641798275 730252955 /nfs/dbraw/zinc/25/29/55/730252955.db2.gz DMKBVYSAZLFNAY-ZBFHGGJFSA-N 1 3 354.397 2.726 20 0 FFADHO C[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000857115740 730379276 /nfs/dbraw/zinc/37/92/76/730379276.db2.gz RRHIDANEHJBLFT-ZDUSSCGKSA-N 1 3 360.424 2.516 20 0 FFADHO CN1CCC(N(CC[NH+](C)C)C(=O)OCc2cccc(Cl)c2)CC1 ZINC000859114072 730442311 /nfs/dbraw/zinc/44/23/11/730442311.db2.gz CKSVCIVLSYPJHG-UHFFFAOYSA-N 1 3 353.894 2.934 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647936325 730775710 /nfs/dbraw/zinc/77/57/10/730775710.db2.gz BKYLLKXLZQEIMG-SWLSCSKDSA-N 1 3 354.292 2.837 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)CC(F)(F)F ZINC000865412591 730951787 /nfs/dbraw/zinc/95/17/87/730951787.db2.gz QUMIGOPGHKLYAA-STQMWFEESA-N 1 3 365.440 2.906 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](CNC1CC[NH+](CC2CC2)CC1)CC(F)F ZINC000865418885 730952580 /nfs/dbraw/zinc/95/25/80/730952580.db2.gz MMWPIXKWRVJONR-HNNXBMFYSA-N 1 3 361.477 2.999 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccc(OC(F)F)cc3F)C2)CC1 ZINC000865459654 730957970 /nfs/dbraw/zinc/95/79/70/730957970.db2.gz ATMGPVFWOFSXHA-CQSZACIVSA-N 1 3 357.420 2.685 20 0 FFADHO CC1(C)CCNCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000866700526 731089146 /nfs/dbraw/zinc/08/91/46/731089146.db2.gz ZMOXCMFFVYECAC-UHFFFAOYSA-N 1 3 354.292 2.852 20 0 FFADHO CC1(C)CCNCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000866700526 731089150 /nfs/dbraw/zinc/08/91/50/731089150.db2.gz ZMOXCMFFVYECAC-UHFFFAOYSA-N 1 3 354.292 2.852 20 0 FFADHO C[C@H](N)[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1 ZINC000925491413 738510431 /nfs/dbraw/zinc/51/04/31/738510431.db2.gz CMIARIMXYQDZOE-QRFRQXIXSA-N 1 3 358.555 2.715 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000868164788 731265961 /nfs/dbraw/zinc/26/59/61/731265961.db2.gz TWHYVOCSKULJBX-MQMHXKEQSA-N 1 3 366.893 2.672 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C(C)(F)F)CC2)CC1 ZINC000868212418 731270614 /nfs/dbraw/zinc/27/06/14/731270614.db2.gz QVYXWQCBZUOAFS-UHFFFAOYSA-N 1 3 360.493 2.526 20 0 FFADHO CN1CCC[C@H](C[NH2+]C2CCN([C@@H]3CCOC3)CC2)[C@H]1c1cccs1 ZINC000655715509 731501639 /nfs/dbraw/zinc/50/16/39/731501639.db2.gz LBWCCILCSHDDCM-POAQFYNOSA-N 1 3 363.571 2.974 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc(Cl)n1 ZINC000870991330 731583694 /nfs/dbraw/zinc/58/36/94/731583694.db2.gz DPYNNTOCJYQRSW-KSSFIOAISA-N 1 3 352.910 2.657 20 0 FFADHO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1OC ZINC000925782462 738529250 /nfs/dbraw/zinc/52/92/50/738529250.db2.gz LSTVOFAZRBLRLE-HIFRSBDPSA-N 1 3 358.429 2.616 20 0 FFADHO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925832540 738534219 /nfs/dbraw/zinc/53/42/19/738534219.db2.gz GGASLXAYDXWVPW-OALUTQOASA-N 1 3 364.555 2.781 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925832540 738534221 /nfs/dbraw/zinc/53/42/21/738534221.db2.gz GGASLXAYDXWVPW-OALUTQOASA-N 1 3 364.555 2.781 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])N(C)C)cc1 ZINC000659497161 731982681 /nfs/dbraw/zinc/98/26/81/731982681.db2.gz CAJYGVJTXRVVBD-UWWQBHOKSA-N 1 3 364.559 2.780 20 0 FFADHO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(CN2CCC[C@@H]2[C@H](C)O)c1 ZINC000661768204 732238635 /nfs/dbraw/zinc/23/86/35/732238635.db2.gz UUQINZXKNIEPRB-HRYATBACSA-N 1 3 350.478 2.516 20 0 FFADHO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(CN2CCC[C@@H]2[C@H](C)O)c1 ZINC000661768204 732238636 /nfs/dbraw/zinc/23/86/36/732238636.db2.gz UUQINZXKNIEPRB-HRYATBACSA-N 1 3 350.478 2.516 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCNC3)[NH+](C)C)cc1 ZINC000662348634 732301316 /nfs/dbraw/zinc/30/13/16/732301316.db2.gz WRHHADIKTSQHKZ-QGZVFWFLSA-N 1 3 357.523 2.989 20 0 FFADHO CN(C)C[C@H](NC(=O)C=C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000877131325 732327001 /nfs/dbraw/zinc/32/70/01/732327001.db2.gz ZLNSFOYFLOHMIC-INIZCTEOSA-N 1 3 355.404 2.734 20 0 FFADHO COCCN(Cc1cncc(Br)c1)CC1CC[NH+](C)CC1 ZINC000877664803 732408550 /nfs/dbraw/zinc/40/85/50/732408550.db2.gz XMGBFWSDFIUPHK-UHFFFAOYSA-N 1 3 356.308 2.634 20 0 FFADHO COCCN(Cc1ccc(Br)cn1)CC1CC[NH+](C)CC1 ZINC000877665444 732408568 /nfs/dbraw/zinc/40/85/68/732408568.db2.gz VVEBDSSVIAGOQM-UHFFFAOYSA-N 1 3 356.308 2.634 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1cccs1)C1CC1 ZINC000663538295 732456763 /nfs/dbraw/zinc/45/67/63/732456763.db2.gz KVDVHACKSZBYJO-YOEHRIQHSA-N 1 3 352.548 2.770 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1cccs1)C1CC1 ZINC000663538295 732456765 /nfs/dbraw/zinc/45/67/65/732456765.db2.gz KVDVHACKSZBYJO-YOEHRIQHSA-N 1 3 352.548 2.770 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000664315661 732566552 /nfs/dbraw/zinc/56/65/52/732566552.db2.gz WGBDEUUZRQDDHO-JTQLQIEISA-N 1 3 367.441 2.555 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000664315661 732566557 /nfs/dbraw/zinc/56/65/57/732566557.db2.gz WGBDEUUZRQDDHO-JTQLQIEISA-N 1 3 367.441 2.555 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC000664970063 732654077 /nfs/dbraw/zinc/65/40/77/732654077.db2.gz KIRXJWPPXIGIBI-FUHWJXTLSA-N 1 3 364.559 2.747 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000664970063 732654079 /nfs/dbraw/zinc/65/40/79/732654079.db2.gz KIRXJWPPXIGIBI-FUHWJXTLSA-N 1 3 364.559 2.747 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000665287305 732687403 /nfs/dbraw/zinc/68/74/03/732687403.db2.gz HUCPGHLPHOFVAX-AWEZNQCLSA-N 1 3 352.548 2.908 20 0 FFADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000665638947 732734938 /nfs/dbraw/zinc/73/49/38/732734938.db2.gz HMRCPAYIILQGKU-AWEZNQCLSA-N 1 3 354.470 2.618 20 0 FFADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000665638947 732734939 /nfs/dbraw/zinc/73/49/39/732734939.db2.gz HMRCPAYIILQGKU-AWEZNQCLSA-N 1 3 354.470 2.618 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000666921868 732917233 /nfs/dbraw/zinc/91/72/33/732917233.db2.gz FXPZKJXEHAQXMK-IRXDYDNUSA-N 1 3 352.910 2.726 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000666921868 732917236 /nfs/dbraw/zinc/91/72/36/732917236.db2.gz FXPZKJXEHAQXMK-IRXDYDNUSA-N 1 3 352.910 2.726 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccsc1 ZINC000669279520 733207580 /nfs/dbraw/zinc/20/75/80/733207580.db2.gz SEDCXLOMRNYWEQ-DJIMGWMZSA-N 1 3 350.532 2.524 20 0 FFADHO C[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000883359920 733373320 /nfs/dbraw/zinc/37/33/20/733373320.db2.gz QKJQBCXHISANPL-FZMZJTMJSA-N 1 3 370.362 2.836 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000675194491 733762695 /nfs/dbraw/zinc/76/26/95/733762695.db2.gz OMWIMSUUEKYPJD-XBMUEBEBSA-N 1 3 350.551 2.767 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000675780085 733810940 /nfs/dbraw/zinc/81/09/40/733810940.db2.gz BAGHCPLTWGECSN-AWEZNQCLSA-N 1 3 373.588 2.599 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000891894969 734490989 /nfs/dbraw/zinc/49/09/89/734490989.db2.gz YDCMXUILASHPOB-XOKHGSTOSA-N 1 3 352.910 2.759 20 0 FFADHO CC[N@H+](CCC1CCN(C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1)CC1CC1 ZINC000894137670 734807714 /nfs/dbraw/zinc/80/77/14/734807714.db2.gz RSEXDGIRMUAGHJ-SJORKVTESA-N 1 3 358.473 2.875 20 0 FFADHO CC[N@@H+](CCC1CCN(C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1)CC1CC1 ZINC000894137670 734807717 /nfs/dbraw/zinc/80/77/17/734807717.db2.gz RSEXDGIRMUAGHJ-SJORKVTESA-N 1 3 358.473 2.875 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000894766692 734913207 /nfs/dbraw/zinc/91/32/07/734913207.db2.gz VXUFNJGFHSIKKL-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccco1 ZINC000894766692 734913214 /nfs/dbraw/zinc/91/32/14/734913214.db2.gz VXUFNJGFHSIKKL-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO CC(C)(O)CN1CCC([NH2+][C@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000897330209 735220521 /nfs/dbraw/zinc/22/05/21/735220521.db2.gz LTPBOULXJJCCJK-MRXNPFEDSA-N 1 3 360.420 2.564 20 0 FFADHO C[C@@H]1C[C@@H](NC(=S)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000751041372 735841696 /nfs/dbraw/zinc/84/16/96/735841696.db2.gz YBAQJMOHTLFTGX-APWZRJJASA-N 1 3 360.571 2.598 20 0 FFADHO C[C@@H]1C[C@@H](NC(=S)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000751041372 735841701 /nfs/dbraw/zinc/84/17/01/735841701.db2.gz YBAQJMOHTLFTGX-APWZRJJASA-N 1 3 360.571 2.598 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000902328770 735933040 /nfs/dbraw/zinc/93/30/40/735933040.db2.gz NGJBVARTAUEMDV-HIFRSBDPSA-N 1 3 354.878 2.512 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H](O)COc2ccccc2Br)C1 ZINC000902353187 735935960 /nfs/dbraw/zinc/93/59/60/735935960.db2.gz WVILNCLUYBGKGE-KGLIPLIRSA-N 1 3 371.319 2.557 20 0 FFADHO [NH3+]CCCC[C@H](NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1F ZINC000902407242 735943272 /nfs/dbraw/zinc/94/32/72/735943272.db2.gz XCUCLTZXXZANNW-MUSFGAPCSA-N 1 3 372.481 2.833 20 0 FFADHO CCCCn1nc(C)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1Cl ZINC000904389139 736247793 /nfs/dbraw/zinc/24/77/93/736247793.db2.gz IGHGNESAGDLSST-OAHLLOKOSA-N 1 3 354.926 2.975 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905074324 736292967 /nfs/dbraw/zinc/29/29/67/736292967.db2.gz GOWZCKDVACILTN-AWEZNQCLSA-N 1 3 370.362 2.665 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@H](O)c1ccc(Cl)cc1Cl)CC2 ZINC000923446117 738284904 /nfs/dbraw/zinc/28/49/04/738284904.db2.gz ZYRTYLWEIUBSGW-BBRMVZONSA-N 1 3 359.297 2.857 20 0 FFADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499221 738291791 /nfs/dbraw/zinc/29/17/91/738291791.db2.gz LWWWQOAIVRJXEF-MGPQQGTHSA-N 1 3 355.885 2.743 20 0 FFADHO CN1CCN(C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000931549605 739285704 /nfs/dbraw/zinc/28/57/04/739285704.db2.gz QSNZVKKNBMVHSX-UHFFFAOYSA-N 1 3 355.885 2.570 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc([Si](C)(C)C)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000801935304 740665643 /nfs/dbraw/zinc/66/56/43/740665643.db2.gz CERKEKNPMOWBIU-GHTZIAJQSA-N 1 3 359.634 2.690 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc([Si](C)(C)C)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000801935304 740665644 /nfs/dbraw/zinc/66/56/44/740665644.db2.gz CERKEKNPMOWBIU-GHTZIAJQSA-N 1 3 359.634 2.690 20 0 FFADHO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)ccc1S(=O)(=O)C(F)F ZINC000818616411 742284052 /nfs/dbraw/zinc/28/40/52/742284052.db2.gz WJUMMFWWLLCIIS-CYZMBNFOSA-N 1 3 362.442 2.612 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000818973088 742318829 /nfs/dbraw/zinc/31/88/29/742318829.db2.gz QNPOSYXAJVBSBH-MEDUHNTESA-N 1 3 357.267 2.696 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC001020174906 742537044 /nfs/dbraw/zinc/53/70/44/742537044.db2.gz XILWNURRNSYRTR-PWNZVWSESA-N 1 3 355.935 2.869 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3sccc3Cl)C2)CC[N@H+]1C ZINC001020174906 742537048 /nfs/dbraw/zinc/53/70/48/742537048.db2.gz XILWNURRNSYRTR-PWNZVWSESA-N 1 3 355.935 2.869 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC001023993413 742717670 /nfs/dbraw/zinc/71/76/70/742717670.db2.gz FKYXPBBTMWOSAG-IXDOHACOSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3nc(C)cs3)C2)CC[N@H+]1C ZINC001023993413 742717674 /nfs/dbraw/zinc/71/76/74/742717674.db2.gz FKYXPBBTMWOSAG-IXDOHACOSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000825990030 743352338 /nfs/dbraw/zinc/35/23/38/743352338.db2.gz JVFOABCDMMLFIU-INIZCTEOSA-N 1 3 352.910 2.672 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000827441003 743576470 /nfs/dbraw/zinc/57/64/70/743576470.db2.gz OVPSLQOIQLYHFC-CJNGLKHVSA-N 1 3 352.910 2.672 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc(Cl)n1 ZINC000830943273 745454980 /nfs/dbraw/zinc/45/49/80/745454980.db2.gz CACVNUSWHPWOKK-DOTOQJQBSA-N 1 3 364.921 2.624 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc(Cl)n1 ZINC000830943273 745454982 /nfs/dbraw/zinc/45/49/82/745454982.db2.gz CACVNUSWHPWOKK-DOTOQJQBSA-N 1 3 364.921 2.624 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC2([NH+](C)C)CCCCC2)cc(Cl)n1 ZINC000831774681 745582388 /nfs/dbraw/zinc/58/23/88/745582388.db2.gz VPXVMOBKIGUFKD-OAHLLOKOSA-N 1 3 352.910 2.814 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCS[C@@H](C)C3)CC2)CC1 ZINC000834645614 745876650 /nfs/dbraw/zinc/87/66/50/745876650.db2.gz ZYAULEHTDHPRLB-RDJZCZTQSA-N 1 3 353.576 2.583 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCC([NH3+])CC1 ZINC000841637743 747422756 /nfs/dbraw/zinc/42/27/56/747422756.db2.gz VWCONMJVASETMD-UYSNPLJNSA-N 1 3 350.532 2.796 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)C2CCC([NH3+])CC2)N(C)C)cc1 ZINC000841908207 747485639 /nfs/dbraw/zinc/48/56/39/747485639.db2.gz WOWNIGNBLQOZRT-HTWSVDAQSA-N 1 3 364.559 2.923 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(Cl)cccc1-n1ccnc1 ZINC000849112938 749055831 /nfs/dbraw/zinc/05/58/31/749055831.db2.gz KAKQZHPNAQPLLF-CQSZACIVSA-N 1 3 360.893 2.624 20 0 FFADHO COCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832795 970952034 /nfs/dbraw/zinc/95/20/34/970952034.db2.gz UGEUOJOLLMHDOZ-WOJBJXKFSA-N 1 3 367.578 2.609 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CCC(F)(F)F ZINC001104832545 970954054 /nfs/dbraw/zinc/95/40/54/970954054.db2.gz GJRSIUSZKRSRND-HZPDHXFCSA-N 1 3 363.468 2.745 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964633 971356158 /nfs/dbraw/zinc/35/61/58/971356158.db2.gz UFTWOBPCZCQNFN-GIVPXCGWSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964633 971356164 /nfs/dbraw/zinc/35/61/64/971356164.db2.gz UFTWOBPCZCQNFN-GIVPXCGWSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1nc([C@H]2CCN(Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)no1 ZINC000896238994 971370520 /nfs/dbraw/zinc/37/05/20/971370520.db2.gz YSMWSSFQYCCDCQ-SFHVURJKSA-N 1 3 369.513 2.898 20 0 FFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966730 971374193 /nfs/dbraw/zinc/37/41/93/971374193.db2.gz RUBXJOUUTXTTBB-KSZLIROESA-N 1 3 353.526 2.779 20 0 FFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966730 971374201 /nfs/dbraw/zinc/37/42/01/971374201.db2.gz RUBXJOUUTXTTBB-KSZLIROESA-N 1 3 353.526 2.779 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896744743 971687363 /nfs/dbraw/zinc/68/73/63/971687363.db2.gz DEENASRSNVWBER-FXAWDEMLSA-N 1 3 361.530 2.925 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896744743 971687367 /nfs/dbraw/zinc/68/73/67/971687367.db2.gz DEENASRSNVWBER-FXAWDEMLSA-N 1 3 361.530 2.925 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001087993604 971738963 /nfs/dbraw/zinc/73/89/63/971738963.db2.gz VDCMBMIDSDURRE-QHAWAJNXSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001087993604 971738968 /nfs/dbraw/zinc/73/89/68/971738968.db2.gz VDCMBMIDSDURRE-QHAWAJNXSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@@H](CNCc1nc(C(C)(C)C)cs1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267984817 971935258 /nfs/dbraw/zinc/93/52/58/971935258.db2.gz AXZHCHRNAJCDRV-RRFJBIMHSA-N 1 3 366.575 2.623 20 0 FFADHO C[C@@H](CNCc1nc(C(C)(C)C)cs1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267984817 971935262 /nfs/dbraw/zinc/93/52/62/971935262.db2.gz AXZHCHRNAJCDRV-RRFJBIMHSA-N 1 3 366.575 2.623 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)CO[C@H]1CCCc3ccccc31)C2 ZINC000660654298 972443164 /nfs/dbraw/zinc/44/31/64/972443164.db2.gz GMTVECUAQXJQRO-BAGYTPMASA-N 1 3 358.526 2.859 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)CO[C@H]1CCCc3ccccc31)C2 ZINC000660654298 972443165 /nfs/dbraw/zinc/44/31/65/972443165.db2.gz GMTVECUAQXJQRO-BAGYTPMASA-N 1 3 358.526 2.859 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000655353793 959804332 /nfs/dbraw/zinc/80/43/32/959804332.db2.gz WDMQXLRJQHBKHQ-LEWJYISDSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000655353793 959804342 /nfs/dbraw/zinc/80/43/42/959804342.db2.gz WDMQXLRJQHBKHQ-LEWJYISDSA-N 1 3 370.541 2.575 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)[C@@H](c2ccccc2)C1 ZINC000970042906 960073948 /nfs/dbraw/zinc/07/39/48/960073948.db2.gz PBRURMHOMYGHOA-AQNXPRMDSA-N 1 3 369.534 2.784 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)[C@@H](c2ccccc2)C1 ZINC000970042906 960073958 /nfs/dbraw/zinc/07/39/58/960073958.db2.gz PBRURMHOMYGHOA-AQNXPRMDSA-N 1 3 369.534 2.784 20 0 FFADHO Cc1nccn1-c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000655700899 961103308 /nfs/dbraw/zinc/10/33/08/961103308.db2.gz QJOLBFGJSMOBKN-GOSISDBHSA-N 1 3 358.461 2.663 20 0 FFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461185 961386438 /nfs/dbraw/zinc/38/64/38/961386438.db2.gz YYFBGMIAPCJJJE-UIFIKXQLSA-N 1 3 355.526 2.735 20 0 FFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461185 961386458 /nfs/dbraw/zinc/38/64/58/961386458.db2.gz YYFBGMIAPCJJJE-UIFIKXQLSA-N 1 3 355.526 2.735 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000649381340 1013387760 /nfs/dbraw/zinc/38/77/60/1013387760.db2.gz MFSDHSFGGFYSRZ-UWJYYQICSA-N 1 3 363.505 2.510 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000649381340 1013387768 /nfs/dbraw/zinc/38/77/68/1013387768.db2.gz MFSDHSFGGFYSRZ-UWJYYQICSA-N 1 3 363.505 2.510 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C ZINC001087135061 963083090 /nfs/dbraw/zinc/08/30/90/963083090.db2.gz PTFSHASIFVCSAB-UIAACRFSSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)s1 ZINC001104319300 963266362 /nfs/dbraw/zinc/26/63/62/963266362.db2.gz MQXPPTUAUHFDSD-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ccncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322543 963291423 /nfs/dbraw/zinc/29/14/23/963291423.db2.gz PUTWQOPNVBMATK-GGPKGHCWSA-N 1 3 360.546 2.550 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000656540396 963808291 /nfs/dbraw/zinc/80/82/91/963808291.db2.gz HOWUMSBXOBUJSN-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000656540396 963808299 /nfs/dbraw/zinc/80/82/99/963808299.db2.gz HOWUMSBXOBUJSN-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO CN(C)C(=O)[C@H](NCC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000656684365 964016301 /nfs/dbraw/zinc/01/63/01/964016301.db2.gz VPJJUHYDBRRTDR-OAQYLSRUSA-N 1 3 366.509 2.713 20 0 FFADHO CN(C)C(=O)[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000656684365 964016314 /nfs/dbraw/zinc/01/63/14/964016314.db2.gz VPJJUHYDBRRTDR-OAQYLSRUSA-N 1 3 366.509 2.713 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3c(C)noc3C)CCCC2)CC[N@@H+]1C ZINC001482219234 964152314 /nfs/dbraw/zinc/15/23/14/964152314.db2.gz GPRYMBAMJDXOBB-FUHWJXTLSA-N 1 3 362.518 2.540 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3c(C)noc3C)CCCC2)CC[N@H+]1C ZINC001482219234 964152321 /nfs/dbraw/zinc/15/23/21/964152321.db2.gz GPRYMBAMJDXOBB-FUHWJXTLSA-N 1 3 362.518 2.540 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cc(F)ccc3C)C2)CC[N@@H+]1C ZINC000971567661 964186537 /nfs/dbraw/zinc/18/65/37/964186537.db2.gz UFTCZAFVTWNTSJ-HSALFYBXSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cc(F)ccc3C)C2)CC[N@H+]1C ZINC000971567661 964186543 /nfs/dbraw/zinc/18/65/43/964186543.db2.gz UFTCZAFVTWNTSJ-HSALFYBXSA-N 1 3 361.505 2.897 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891704433 964907573 /nfs/dbraw/zinc/90/75/73/964907573.db2.gz YGIKMCVPAASRHS-AEFFLSMTSA-N 1 3 359.518 2.520 20 0 FFADHO C[C@]1(CNC(=O)NCc2cc(N)ccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000891820450 965157299 /nfs/dbraw/zinc/15/72/99/965157299.db2.gz QKDVKHUMJGCRBU-HXUWFJFHSA-N 1 3 353.470 2.518 20 0 FFADHO C[C@]1(CNC(=O)NCc2cc(N)ccn2)CCC[N@H+]1Cc1ccccc1 ZINC000891820450 965157301 /nfs/dbraw/zinc/15/73/01/965157301.db2.gz QKDVKHUMJGCRBU-HXUWFJFHSA-N 1 3 353.470 2.518 20 0 FFADHO Cn1ncc(C2CC2)c1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000657315156 966092745 /nfs/dbraw/zinc/09/27/45/966092745.db2.gz MWVUREHAKMSWDJ-UHFFFAOYSA-N 1 3 367.541 2.990 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000664954783 966119687 /nfs/dbraw/zinc/11/96/87/966119687.db2.gz IOYNKTGVQBMMJN-HNNXBMFYSA-N 1 3 370.488 2.870 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000664954783 966119693 /nfs/dbraw/zinc/11/96/93/966119693.db2.gz IOYNKTGVQBMMJN-HNNXBMFYSA-N 1 3 370.488 2.870 20 0 FFADHO c1cc(CNc2ccc(CCN3CCOCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC000657323768 966167061 /nfs/dbraw/zinc/16/70/61/966167061.db2.gz MHAQZPYMMBGQEN-UHFFFAOYSA-N 1 3 363.465 2.754 20 0 FFADHO c1c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)nn2c1CCC2 ZINC000657387274 966371604 /nfs/dbraw/zinc/37/16/04/966371604.db2.gz SHTZWONUOPFNSF-UHFFFAOYSA-N 1 3 368.525 2.990 20 0 FFADHO COc1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc2c1OCCO2 ZINC000647248600 966394834 /nfs/dbraw/zinc/39/48/34/966394834.db2.gz KYZBSGQAKXXFJD-MOPGFXCFSA-N 1 3 368.477 2.901 20 0 FFADHO Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C2CC[NH+](C)CC2)s1 ZINC001087208042 966435940 /nfs/dbraw/zinc/43/59/40/966435940.db2.gz JZTVVESXGSXHKE-PBHICJAKSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCC[C@@H]2C)sn1 ZINC001087212570 966575808 /nfs/dbraw/zinc/57/58/08/966575808.db2.gz HDGKOERXXWIPLD-PVAVHDDUSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C[NH2+]CC2CC2)C1 ZINC001087213202 966593012 /nfs/dbraw/zinc/59/30/12/966593012.db2.gz JMTGDWRPWRFCTE-OXFYSEKESA-N 1 3 353.526 2.826 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccccc3)cc2)C1 ZINC000657595638 966935114 /nfs/dbraw/zinc/93/51/14/966935114.db2.gz RKBUYGBHJBSVRU-NRFANRHFSA-N 1 3 362.477 2.933 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccccc3)cc2)C1 ZINC000657595638 966935122 /nfs/dbraw/zinc/93/51/22/966935122.db2.gz RKBUYGBHJBSVRU-NRFANRHFSA-N 1 3 362.477 2.933 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)C1 ZINC000657595735 966943175 /nfs/dbraw/zinc/94/31/75/966943175.db2.gz RXGDXHDNYLRQQH-NRFANRHFSA-N 1 3 366.509 2.538 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)C1 ZINC000657595735 966943181 /nfs/dbraw/zinc/94/31/81/966943181.db2.gz RXGDXHDNYLRQQH-NRFANRHFSA-N 1 3 366.509 2.538 20 0 FFADHO c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n(-c2ccccn2)n1 ZINC000657613982 966962904 /nfs/dbraw/zinc/96/29/04/966962904.db2.gz ZVCPGXAWSPIKII-UHFFFAOYSA-N 1 3 362.481 2.664 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cncc(C)n2)CC1 ZINC000657711444 967136516 /nfs/dbraw/zinc/13/65/16/967136516.db2.gz DNHKYJQIJSVLRN-UHFFFAOYSA-N 1 3 353.514 2.649 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001023379247 967762789 /nfs/dbraw/zinc/76/27/89/967762789.db2.gz IWDIKUSSTFNTKN-WPEKOYSKSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C/C=C/c3ccccc3)C2)CC[N@H+]1C ZINC001023379247 967762794 /nfs/dbraw/zinc/76/27/94/967762794.db2.gz IWDIKUSSTFNTKN-WPEKOYSKSA-N 1 3 355.526 2.868 20 0 FFADHO Cc1nsc(C)c1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCCC1 ZINC001087245753 968004850 /nfs/dbraw/zinc/00/48/50/968004850.db2.gz JITDXINPNZHYQX-PBHICJAKSA-N 1 3 364.559 2.572 20 0 FFADHO c1cc2n(n1)CCC[C@@H]2[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000657840158 968015174 /nfs/dbraw/zinc/01/51/74/968015174.db2.gz BGUAIRJHXCJVPD-NRFANRHFSA-N 1 3 367.541 2.906 20 0 FFADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000657866591 968107152 /nfs/dbraw/zinc/10/71/52/968107152.db2.gz DDKCNWZSOOYXIP-FCHUYYIVSA-N 1 3 360.542 2.972 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001112166183 968315143 /nfs/dbraw/zinc/31/51/43/968315143.db2.gz IRGCPQHOZHRKOQ-RBSFLKMASA-N 1 3 363.468 2.886 20 0 FFADHO COc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1O ZINC000658135374 968540837 /nfs/dbraw/zinc/54/08/37/968540837.db2.gz DJTDAEIJRJMTRD-KXBFYZLASA-N 1 3 356.466 2.818 20 0 FFADHO COc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1O ZINC000658135374 968540845 /nfs/dbraw/zinc/54/08/45/968540845.db2.gz DJTDAEIJRJMTRD-KXBFYZLASA-N 1 3 356.466 2.818 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140778 968556020 /nfs/dbraw/zinc/55/60/20/968556020.db2.gz VGSJHWFOUCEZPS-KSSFIOAISA-N 1 3 367.449 2.951 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140778 968556027 /nfs/dbraw/zinc/55/60/27/968556027.db2.gz VGSJHWFOUCEZPS-KSSFIOAISA-N 1 3 367.449 2.951 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC/C(Cl)=C/Cl)C1 ZINC001112518902 968582297 /nfs/dbraw/zinc/58/22/97/968582297.db2.gz IUKGFOMJZPUOGZ-LBRHBIIVSA-N 1 3 362.345 2.866 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1ncccc1C ZINC001087699777 968652781 /nfs/dbraw/zinc/65/27/81/968652781.db2.gz LHFDHLAGYQDBHK-CGBFIWBNSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1ncccc1C ZINC001087699777 968652786 /nfs/dbraw/zinc/65/27/86/968652786.db2.gz LHFDHLAGYQDBHK-CGBFIWBNSA-N 1 3 358.530 2.589 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC=CCCC3)CC2)CC1 ZINC000892522295 969353082 /nfs/dbraw/zinc/35/30/82/969353082.db2.gz WNXYXSMDGONWAK-SFHVURJKSA-N 1 3 362.562 2.981 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccoc3)C3CC3)CC2)CC1 ZINC000892522370 969353128 /nfs/dbraw/zinc/35/31/28/969353128.db2.gz YTJLSDICQCTPLD-UHFFFAOYSA-N 1 3 360.502 2.512 20 0 FFADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000647508491 969468253 /nfs/dbraw/zinc/46/82/53/969468253.db2.gz OTQFIIORUOGXLN-HOTGVXAUSA-N 1 3 372.538 2.816 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)nc1 ZINC000892619210 969613531 /nfs/dbraw/zinc/61/35/31/969613531.db2.gz UBAQKLOVLGBGNU-UHFFFAOYSA-N 1 3 354.498 2.782 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659029364 969644002 /nfs/dbraw/zinc/64/40/02/969644002.db2.gz HMIXARNVZNPZCI-VQIMIIECSA-N 1 3 374.529 2.980 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659029364 969644005 /nfs/dbraw/zinc/64/40/05/969644005.db2.gz HMIXARNVZNPZCI-VQIMIIECSA-N 1 3 374.529 2.980 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000647551910 969695522 /nfs/dbraw/zinc/69/55/22/969695522.db2.gz VLGFBTBAYSAFOK-XLIONFOSSA-N 1 3 358.486 2.707 20 0 FFADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659278398 969794957 /nfs/dbraw/zinc/79/49/57/969794957.db2.gz OTSOUUGGKWPRNO-UHFFFAOYSA-N 1 3 369.513 2.978 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC1([NH3+])CCCC1)c1cccc(OC)c1 ZINC000659430712 969921094 /nfs/dbraw/zinc/92/10/94/969921094.db2.gz XANAYWQLOHGXBL-GOSISDBHSA-N 1 3 362.518 2.649 20 0 FFADHO Cc1cncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001104638877 970000133 /nfs/dbraw/zinc/00/01/33/970000133.db2.gz GKAGHCYKYYUMGK-MISYRCLQSA-N 1 3 360.546 2.550 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC1 ZINC000892916689 970370521 /nfs/dbraw/zinc/37/05/21/970370521.db2.gz ARCJRSDCLQZYOJ-UHFFFAOYSA-N 1 3 368.472 2.652 20 0 FFADHO C[C@H]1CC([NH2+]C2CN(c3ccncn3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168025472 970477015 /nfs/dbraw/zinc/47/70/15/970477015.db2.gz COLVRTQHOLFKSW-IRXDYDNUSA-N 1 3 351.498 2.696 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000665553122 972727251 /nfs/dbraw/zinc/72/72/51/972727251.db2.gz OATBKKGJQQXLGU-NQIIRXRSSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000665553122 972727261 /nfs/dbraw/zinc/72/72/61/972727261.db2.gz OATBKKGJQQXLGU-NQIIRXRSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088105790 972821328 /nfs/dbraw/zinc/82/13/28/972821328.db2.gz CQPXAZXOANIZFJ-QRQLOZEOSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088105790 972821335 /nfs/dbraw/zinc/82/13/35/972821335.db2.gz CQPXAZXOANIZFJ-QRQLOZEOSA-N 1 3 359.489 2.590 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1C ZINC001088121260 972916367 /nfs/dbraw/zinc/91/63/67/972916367.db2.gz WUIWGTASZWKZLY-MOPGFXCFSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1C ZINC001088121260 972916381 /nfs/dbraw/zinc/91/63/81/972916381.db2.gz WUIWGTASZWKZLY-MOPGFXCFSA-N 1 3 352.482 2.550 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)cc1CN1CCCCC1 ZINC000840826011 973378564 /nfs/dbraw/zinc/37/85/64/973378564.db2.gz PUHHDKZCBRMFMH-AEFFLSMTSA-N 1 3 359.514 2.858 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000665637045 973787936 /nfs/dbraw/zinc/78/79/36/973787936.db2.gz RWACTHFXYWXQCU-PXNSSMCTSA-N 1 3 360.546 2.977 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000665637045 973787946 /nfs/dbraw/zinc/78/79/46/973787946.db2.gz RWACTHFXYWXQCU-PXNSSMCTSA-N 1 3 360.546 2.977 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000661193582 973840816 /nfs/dbraw/zinc/84/08/16/973840816.db2.gz SIRNSLZHDHNUDM-BHIYHBOVSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000661193582 973840822 /nfs/dbraw/zinc/84/08/22/973840822.db2.gz SIRNSLZHDHNUDM-BHIYHBOVSA-N 1 3 358.530 2.821 20 0 FFADHO Cc1cn(-c2ccccc2)nc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757599 974091949 /nfs/dbraw/zinc/09/19/49/974091949.db2.gz PVDQZKZJWVQABQ-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1cn(-c2ccccc2)nc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757599 974091955 /nfs/dbraw/zinc/09/19/55/974091955.db2.gz PVDQZKZJWVQABQ-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211667029 974180594 /nfs/dbraw/zinc/18/05/94/974180594.db2.gz RYFYTFQRTKWXGH-SLFFLAALSA-N 1 3 361.505 2.661 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CC[NH+]3CCCCC3)cc2)CC1 ZINC000652988946 1014186596 /nfs/dbraw/zinc/18/65/96/1014186596.db2.gz PNJDVYMQHBXCNC-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417494 974413314 /nfs/dbraw/zinc/41/33/14/974413314.db2.gz ZVLBRFXCSYMHFS-NSISKUIASA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027417494 974413317 /nfs/dbraw/zinc/41/33/17/974413317.db2.gz ZVLBRFXCSYMHFS-NSISKUIASA-N 1 3 361.505 2.897 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000893485457 974650726 /nfs/dbraw/zinc/65/07/26/974650726.db2.gz YFYJQUVLQXMMJL-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000893485457 974650729 /nfs/dbraw/zinc/65/07/29/974650729.db2.gz YFYJQUVLQXMMJL-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211673325 974762726 /nfs/dbraw/zinc/76/27/26/974762726.db2.gz CNEUFZOQHSAWQU-DSJPRTEPSA-N 1 3 361.917 2.807 20 0 FFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211673325 974762732 /nfs/dbraw/zinc/76/27/32/974762732.db2.gz CNEUFZOQHSAWQU-DSJPRTEPSA-N 1 3 361.917 2.807 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)C1 ZINC001211674739 974937145 /nfs/dbraw/zinc/93/71/45/974937145.db2.gz ICWRLXGEUKQANQ-BJENNACASA-N 1 3 361.917 2.665 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)C1 ZINC001211674739 974937149 /nfs/dbraw/zinc/93/71/49/974937149.db2.gz ICWRLXGEUKQANQ-BJENNACASA-N 1 3 361.917 2.665 20 0 FFADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652346101 974941257 /nfs/dbraw/zinc/94/12/57/974941257.db2.gz UAKWCQDCIQSQDE-NLWGTHIKSA-N 1 3 359.514 2.646 20 0 FFADHO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(N3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662153019 975269215 /nfs/dbraw/zinc/26/92/15/975269215.db2.gz MAKFFSSKTJJMAW-FQEVSTJZSA-N 1 3 373.541 2.862 20 0 FFADHO C[C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000424029923 975365487 /nfs/dbraw/zinc/36/54/87/975365487.db2.gz PZHQHHJCGVZMSB-PGRDOPGGSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290548 975406000 /nfs/dbraw/zinc/40/60/00/975406000.db2.gz GKUADWWRULVDQS-QFBILLFUSA-N 1 3 361.505 2.585 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCCOC1CCCCC1 ZINC000662298717 975412737 /nfs/dbraw/zinc/41/27/37/975412737.db2.gz XHADRQJHTUKSEG-LJQANCHMSA-N 1 3 365.562 2.554 20 0 FFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001087429398 975797810 /nfs/dbraw/zinc/79/78/10/975797810.db2.gz HRVUTIYAZLICPT-NJDAHSKKSA-N 1 3 357.542 2.959 20 0 FFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001087429398 975797823 /nfs/dbraw/zinc/79/78/23/975797823.db2.gz HRVUTIYAZLICPT-NJDAHSKKSA-N 1 3 357.542 2.959 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663420180 975848288 /nfs/dbraw/zinc/84/82/88/975848288.db2.gz LYXQVXHNZRSGNV-AZUAARDMSA-N 1 3 358.530 2.711 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663420180 975848298 /nfs/dbraw/zinc/84/82/98/975848298.db2.gz LYXQVXHNZRSGNV-AZUAARDMSA-N 1 3 358.530 2.711 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ncccc2C)CC3)CC[N@@H+]1C ZINC000990759565 976932798 /nfs/dbraw/zinc/93/27/98/976932798.db2.gz DABUVIDWWICKCM-RYTRXMBJSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ncccc2C)CC3)CC[N@H+]1C ZINC000990759565 976932808 /nfs/dbraw/zinc/93/28/08/976932808.db2.gz DABUVIDWWICKCM-RYTRXMBJSA-N 1 3 370.541 2.734 20 0 FFADHO CC(C)[C@@H](CNC(=O)Nc1cnc2c(c1)CNCC2)[NH+]1CCC(C)CC1 ZINC000667792449 977035268 /nfs/dbraw/zinc/03/52/68/977035268.db2.gz ZJVCJNIFBQSGKQ-LJQANCHMSA-N 1 3 359.518 2.605 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876727752 1014366710 /nfs/dbraw/zinc/36/67/10/1014366710.db2.gz BHRURKMBIOFNDB-UHFFFAOYSA-N 1 3 374.510 2.933 20 0 FFADHO CCOC(=O)c1sc2nc(NC(=N)NCCCC[NH3+])cc(C)c2c1C ZINC001167880614 977188392 /nfs/dbraw/zinc/18/83/92/977188392.db2.gz RPEFPOSYWBJWLQ-UHFFFAOYSA-N 1 3 363.487 2.765 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCc3noc4ccccc43)CC2)CC1 ZINC000653617155 1014400213 /nfs/dbraw/zinc/40/02/13/1014400213.db2.gz YRBDLAOMIQCAPO-UHFFFAOYSA-N 1 3 356.514 2.720 20 0 FFADHO F[C@H]1CC2(CC[C@@H]1N1C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000894144463 977981574 /nfs/dbraw/zinc/98/15/74/977981574.db2.gz AVIYALHCYIFMKC-YRPNKDGESA-N 1 3 360.473 2.684 20 0 FFADHO F[C@H]1CC2(CC[C@@H]1N1C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000894144463 977981579 /nfs/dbraw/zinc/98/15/79/977981579.db2.gz AVIYALHCYIFMKC-YRPNKDGESA-N 1 3 360.473 2.684 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccc(C)c(F)c3)C2)CC[N@@H+]1C ZINC001028551906 978041649 /nfs/dbraw/zinc/04/16/49/978041649.db2.gz BBGVRBNSQCDZPN-CMKODMSKSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccc(C)c(F)c3)C2)CC[N@H+]1C ZINC001028551906 978041659 /nfs/dbraw/zinc/04/16/59/978041659.db2.gz BBGVRBNSQCDZPN-CMKODMSKSA-N 1 3 361.505 2.803 20 0 FFADHO CCN(C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCN(C)C1 ZINC000664145959 978071034 /nfs/dbraw/zinc/07/10/34/978071034.db2.gz MSNCETUZSFHERQ-FXAWDEMLSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](c1ccc(F)cc1)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076203769 979219839 /nfs/dbraw/zinc/21/98/39/979219839.db2.gz CGSWMVGSULHPRP-ZAAXVRCTSA-N 1 3 359.489 2.761 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877360301 1014562049 /nfs/dbraw/zinc/56/20/49/1014562049.db2.gz LWNYLOWXEZCCCR-FZMZJTMJSA-N 1 3 369.387 2.704 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc5c(c4)CCC5)C[C@H]32)C1 ZINC001076242710 979274587 /nfs/dbraw/zinc/27/45/87/979274587.db2.gz OVLSFHKFQYULKC-VOQZNFBZSA-N 1 3 367.537 2.550 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)CCC5)C[C@H]32)C1 ZINC001076242710 979274596 /nfs/dbraw/zinc/27/45/96/979274596.db2.gz OVLSFHKFQYULKC-VOQZNFBZSA-N 1 3 367.537 2.550 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(C)(C)C)cc4)C[C@H]32)C1 ZINC001076568059 979665344 /nfs/dbraw/zinc/66/53/44/979665344.db2.gz SELKNOGAQURUAS-QKNQBKEWSA-N 1 3 369.553 2.969 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(C)(C)C)cc4)C[C@H]32)C1 ZINC001076568059 979665352 /nfs/dbraw/zinc/66/53/52/979665352.db2.gz SELKNOGAQURUAS-QKNQBKEWSA-N 1 3 369.553 2.969 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(C2CC2)cc1 ZINC001088836382 979861775 /nfs/dbraw/zinc/86/17/75/979861775.db2.gz TZJZGYKBLHUKMH-IERDGZPVSA-N 1 3 355.526 2.985 20 0 FFADHO CN1CCCN(c2ccc(-c3noc([C@@H]4CCCCC[C@@H]4[NH3+])n3)cn2)CC1 ZINC000904102873 980185028 /nfs/dbraw/zinc/18/50/28/980185028.db2.gz GFDIIWMPIVTZGG-SJORKVTESA-N 1 3 370.501 2.649 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001112212325 980225648 /nfs/dbraw/zinc/22/56/48/980225648.db2.gz ZLYYWOSWBKQBBD-IAGOWNOFSA-N 1 3 371.447 2.548 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])c2)CC1 ZINC000904421557 980275896 /nfs/dbraw/zinc/27/58/96/980275896.db2.gz JMKHHTHYTJJISI-LAUBAEHRSA-N 1 3 371.529 2.564 20 0 FFADHO CC(C)C[C@](C)(C[NH3+])c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000904673804 980325322 /nfs/dbraw/zinc/32/53/22/980325322.db2.gz SEHLNVJSDJEPBP-HXUWFJFHSA-N 1 3 372.517 2.536 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905401490 980431924 /nfs/dbraw/zinc/43/19/24/980431924.db2.gz WUZYOKAWZQVXJV-HMXCVIKNSA-N 1 3 360.542 2.648 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000666624521 981076280 /nfs/dbraw/zinc/07/62/80/981076280.db2.gz JNRDZTXXERZDBB-WMZOPIPTSA-N 1 3 354.498 2.545 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000666624521 981076283 /nfs/dbraw/zinc/07/62/83/981076283.db2.gz JNRDZTXXERZDBB-WMZOPIPTSA-N 1 3 354.498 2.545 20 0 FFADHO COCc1ccccc1/C=C(/C)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746869 1014707399 /nfs/dbraw/zinc/70/73/99/1014707399.db2.gz ZXFNCEFFKFOPHN-MNDPQUGUSA-N 1 3 357.542 2.948 20 0 FFADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906758592 981138861 /nfs/dbraw/zinc/13/88/61/981138861.db2.gz YBRZFMBNYDTJLD-UHFFFAOYSA-N 1 3 368.481 2.828 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000907100842 981195648 /nfs/dbraw/zinc/19/56/48/981195648.db2.gz LJGREQVYJQFGIZ-QGZVFWFLSA-N 1 3 358.530 2.988 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000907103829 981196231 /nfs/dbraw/zinc/19/62/31/981196231.db2.gz ZHQXJSZXLANZMQ-HKUYNNGSSA-N 1 3 358.530 2.845 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000907103829 981196233 /nfs/dbraw/zinc/19/62/33/981196233.db2.gz ZHQXJSZXLANZMQ-HKUYNNGSSA-N 1 3 358.530 2.845 20 0 FFADHO CN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000668599486 981233089 /nfs/dbraw/zinc/23/30/89/981233089.db2.gz UVAOLQWIHLURBG-TZIWHRDSSA-N 1 3 355.526 2.636 20 0 FFADHO CN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000668599486 981233097 /nfs/dbraw/zinc/23/30/97/981233097.db2.gz UVAOLQWIHLURBG-TZIWHRDSSA-N 1 3 355.526 2.636 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)[C@@H]2C)CC[N@@H+]1C ZINC001088577397 981282177 /nfs/dbraw/zinc/28/21/77/981282177.db2.gz RXQXYSQVTCSTPC-NBJYBMASSA-N 1 3 355.526 2.983 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)[C@@H]2C)CC[N@H+]1C ZINC001088577397 981282180 /nfs/dbraw/zinc/28/21/80/981282180.db2.gz RXQXYSQVTCSTPC-NBJYBMASSA-N 1 3 355.526 2.983 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001213214037 981445687 /nfs/dbraw/zinc/44/56/87/981445687.db2.gz XTAXDRXKVBUYNK-GUDVDZBRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001213214037 981445689 /nfs/dbraw/zinc/44/56/89/981445689.db2.gz XTAXDRXKVBUYNK-GUDVDZBRSA-N 1 3 365.562 2.503 20 0 FFADHO C[NH+]1CCC(CNC(=S)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000760467588 982418123 /nfs/dbraw/zinc/41/81/23/982418123.db2.gz WAFSMTISPMVTKO-UHFFFAOYSA-N 1 3 374.598 2.629 20 0 FFADHO C[NH+]1CCC(NC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000878182268 1014903122 /nfs/dbraw/zinc/90/31/22/1014903122.db2.gz FILPNPADPFQWNX-LEWJYISDSA-N 1 3 373.541 2.565 20 0 FFADHO CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1Cc1ccccc1 ZINC000671311979 983897156 /nfs/dbraw/zinc/89/71/56/983897156.db2.gz LDXJBLJNXVVGEW-QFIPXVFZSA-N 1 3 367.537 2.986 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000654412656 984126977 /nfs/dbraw/zinc/12/69/77/984126977.db2.gz UWYPGKSZBDLNSI-YZGWKJHDSA-N 1 3 358.530 2.771 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([NH+]2CCC2)CC1 ZINC000912880338 984137680 /nfs/dbraw/zinc/13/76/80/984137680.db2.gz AYHUKFQTPKXXSS-SFHVURJKSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000913096403 984182596 /nfs/dbraw/zinc/18/25/96/984182596.db2.gz AERLGAINHISSAF-UWJYYQICSA-N 1 3 355.526 2.888 20 0 FFADHO Cn1ccc(CN2CCCC23CCN(C2CC[NH+](CC4CC4)CC2)CC3)n1 ZINC001168380336 984367461 /nfs/dbraw/zinc/36/74/61/984367461.db2.gz RHRKEUBBUJMBMF-UHFFFAOYSA-N 1 3 371.573 2.725 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164522743 984376664 /nfs/dbraw/zinc/37/66/64/984376664.db2.gz MCYZHJQBAQCOQI-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164522743 984376672 /nfs/dbraw/zinc/37/66/72/984376672.db2.gz MCYZHJQBAQCOQI-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO O=C1Nc2ccccc2C2(CC[NH+](C3CCN(CC4CC4)CC3)CC2)N1 ZINC001168387275 984436635 /nfs/dbraw/zinc/43/66/35/984436635.db2.gz BGRDQJUJZMCADJ-UHFFFAOYSA-N 1 3 354.498 2.987 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2 ZINC001107424156 984532146 /nfs/dbraw/zinc/53/21/46/984532146.db2.gz AIKXGFRVQVNNJP-FAMACXKFSA-N 1 3 359.917 2.780 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001107424156 984532149 /nfs/dbraw/zinc/53/21/49/984532149.db2.gz AIKXGFRVQVNNJP-FAMACXKFSA-N 1 3 359.917 2.780 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2)CC1 ZINC000669402588 984532393 /nfs/dbraw/zinc/53/23/93/984532393.db2.gz LWCTXTLPRQGHGY-CEWLAPEOSA-N 1 3 370.541 2.853 20 0 FFADHO Cc1cccnc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438544 984538760 /nfs/dbraw/zinc/53/87/60/984538760.db2.gz DSRZMLPCIAFKRN-RZUBCFFCSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cccnc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438544 984538763 /nfs/dbraw/zinc/53/87/63/984538763.db2.gz DSRZMLPCIAFKRN-RZUBCFFCSA-N 1 3 370.541 2.591 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438484 984539038 /nfs/dbraw/zinc/53/90/38/984539038.db2.gz BKJSALQWMLNNKK-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438484 984539042 /nfs/dbraw/zinc/53/90/42/984539042.db2.gz BKJSALQWMLNNKK-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107450476 984554181 /nfs/dbraw/zinc/55/41/81/984554181.db2.gz IIJYXQOPBAWMFD-QWFCFKBJSA-N 1 3 353.551 2.504 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)N(C)C)CCC[C@@H]12 ZINC001107450476 984554182 /nfs/dbraw/zinc/55/41/82/984554182.db2.gz IIJYXQOPBAWMFD-QWFCFKBJSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000669483919 984650420 /nfs/dbraw/zinc/65/04/20/984650420.db2.gz SFFKKELQMSDPAC-YSIASYRMSA-N 1 3 358.530 2.901 20 0 FFADHO C[NH+]1CCC(CC(=O)NC[C@]23CCC[C@H]2N(C/C=C\Cl)CC3)CC1 ZINC001107567596 984713740 /nfs/dbraw/zinc/71/37/40/984713740.db2.gz AMYLPDOOWJOTCI-WMZDVDKASA-N 1 3 353.938 2.832 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669552641 984771773 /nfs/dbraw/zinc/77/17/73/984771773.db2.gz LGUVWDMUQYXIIV-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnccc1C)CC2 ZINC001107615226 984829198 /nfs/dbraw/zinc/82/91/98/984829198.db2.gz YVOOPUFNMULEMO-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnccc1C)CC2 ZINC001107615226 984829216 /nfs/dbraw/zinc/82/92/16/984829216.db2.gz YVOOPUFNMULEMO-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2 ZINC001107615471 984829446 /nfs/dbraw/zinc/82/94/46/984829446.db2.gz CFWANJPMMZNNCC-IEBWSBKVSA-N 1 3 364.559 2.736 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2 ZINC001107615471 984829465 /nfs/dbraw/zinc/82/94/65/984829465.db2.gz CFWANJPMMZNNCC-IEBWSBKVSA-N 1 3 364.559 2.736 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC001107617535 984839155 /nfs/dbraw/zinc/83/91/55/984839155.db2.gz LMHDZAOTTSRGRI-WAOWUJCRSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC001107617535 984839169 /nfs/dbraw/zinc/83/91/69/984839169.db2.gz LMHDZAOTTSRGRI-WAOWUJCRSA-N 1 3 365.562 2.504 20 0 FFADHO CCO[C@H](C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12)C1CC1 ZINC001107646726 984939395 /nfs/dbraw/zinc/93/93/95/984939395.db2.gz SCZAXLWHCHIZCE-SFHLNBCPSA-N 1 3 365.562 2.503 20 0 FFADHO CCO[C@H](C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12)C1CC1 ZINC001107646726 984939405 /nfs/dbraw/zinc/93/94/05/984939405.db2.gz SCZAXLWHCHIZCE-SFHLNBCPSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@@H]1CCCCO1)CC2 ZINC001107646574 984939670 /nfs/dbraw/zinc/93/96/70/984939670.db2.gz LDHFMJCRPFOVMW-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@@H]1CCCCO1)CC2 ZINC001107646574 984939678 /nfs/dbraw/zinc/93/96/78/984939678.db2.gz LDHFMJCRPFOVMW-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC000998015746 985887636 /nfs/dbraw/zinc/88/76/36/985887636.db2.gz DGFCBXVCSOOPKR-FGTMMUONSA-N 1 3 362.518 2.526 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCCN(Cc2ocnc2C)CC1 ZINC000998015746 985887651 /nfs/dbraw/zinc/88/76/51/985887651.db2.gz DGFCBXVCSOOPKR-FGTMMUONSA-N 1 3 362.518 2.526 20 0 FFADHO C[NH+]1CCC(NC(=O)CN[C@@](C)(Cc2ccccc2)c2ccccc2)CC1 ZINC000878715802 1015181219 /nfs/dbraw/zinc/18/12/19/1015181219.db2.gz CVRZHHYLLHZFJE-QHCPKHFHSA-N 1 3 365.521 2.945 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1C[C@H]1CCCCO1 ZINC001089058941 986136968 /nfs/dbraw/zinc/13/69/68/986136968.db2.gz QPMVELXLXDWVJR-AHRSYUTCSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1C[C@H]1CCCCO1 ZINC001089058941 986136974 /nfs/dbraw/zinc/13/69/74/986136974.db2.gz QPMVELXLXDWVJR-AHRSYUTCSA-N 1 3 359.514 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC000998794283 986254919 /nfs/dbraw/zinc/25/49/19/986254919.db2.gz OTLRVEFAPQDBLV-UNGSAITNSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC000998794283 986254928 /nfs/dbraw/zinc/25/49/28/986254928.db2.gz OTLRVEFAPQDBLV-UNGSAITNSA-N 1 3 365.468 2.774 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106111968 986533170 /nfs/dbraw/zinc/53/31/70/986533170.db2.gz UJXDAGBJMVUTJJ-CRKMQSRLSA-N 1 3 362.345 2.862 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106111968 986533173 /nfs/dbraw/zinc/53/31/73/986533173.db2.gz UJXDAGBJMVUTJJ-CRKMQSRLSA-N 1 3 362.345 2.862 20 0 FFADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000765883444 986807568 /nfs/dbraw/zinc/80/75/68/986807568.db2.gz FXSVCCAAGLCZNK-IBGZPJMESA-N 1 3 359.514 2.605 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921840197 987203775 /nfs/dbraw/zinc/20/37/75/987203775.db2.gz BZUKRXGGXWWYTJ-YPGOJHLTSA-N 1 3 368.525 2.739 20 0 FFADHO Cn1ccc(-c2nc(CNCC3CCN(c4cc[nH+]cc4)CC3)cs2)n1 ZINC000921960102 987403245 /nfs/dbraw/zinc/40/32/45/987403245.db2.gz BVEBMPAMQURREO-UHFFFAOYSA-N 1 3 368.510 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc4c(c3)CCC4)CC2)CC[N@@H+]1C ZINC001002859672 987551666 /nfs/dbraw/zinc/55/16/66/987551666.db2.gz QWZZXHZONVFCBG-FCHUYYIVSA-N 1 3 369.553 2.986 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc4c(c3)CCC4)CC2)CC[N@H+]1C ZINC001002859672 987551673 /nfs/dbraw/zinc/55/16/73/987551673.db2.gz QWZZXHZONVFCBG-FCHUYYIVSA-N 1 3 369.553 2.986 20 0 FFADHO CO[C@@H]1CN(CCC(C)(C)C)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212495291 987761139 /nfs/dbraw/zinc/76/11/39/987761139.db2.gz BIDNOZGUYLKLID-QZTJIDSGSA-N 1 3 367.578 2.891 20 0 FFADHO CO[C@@H]1CN(CCC(C)(C)C)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212495291 987761144 /nfs/dbraw/zinc/76/11/44/987761144.db2.gz BIDNOZGUYLKLID-QZTJIDSGSA-N 1 3 367.578 2.891 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001106254954 987766295 /nfs/dbraw/zinc/76/62/95/987766295.db2.gz CIRDQAMQNCLXIS-MRRRUUNJSA-N 1 3 355.526 2.868 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCc2cccc(C)c2)[C@H](C)C1)N(C)C ZINC001106312622 987946151 /nfs/dbraw/zinc/94/61/51/987946151.db2.gz KZWMHCJXGFCBJL-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CN1CCCC[C@@H]1c1ccc(-n2nc(-c3ccccc3)nc2CC[NH3+])nc1 ZINC001168707407 987946548 /nfs/dbraw/zinc/94/65/48/987946548.db2.gz GXMCCFQHAMBXHC-GOSISDBHSA-N 1 3 362.481 2.987 20 0 FFADHO CCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1OC ZINC000657594311 988338784 /nfs/dbraw/zinc/33/87/84/988338784.db2.gz OTPRLJPVNUNCEI-FQEVSTJZSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OC ZINC000657594311 988338800 /nfs/dbraw/zinc/33/88/00/988338800.db2.gz OTPRLJPVNUNCEI-FQEVSTJZSA-N 1 3 370.493 2.950 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCc1ccccc1F ZINC001106665071 988607599 /nfs/dbraw/zinc/60/75/99/988607599.db2.gz GVDBIIVWJDSMDK-ZIFCJYIRSA-N 1 3 361.505 2.537 20 0 FFADHO C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](c2nnc[n-]2)c2ccccc2)cc1 ZINC000648810333 988719533 /nfs/dbraw/zinc/71/95/33/988719533.db2.gz IUICUXRVWKWZGG-HXUWFJFHSA-N 1 3 365.481 2.667 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001033095597 988787679 /nfs/dbraw/zinc/78/76/79/988787679.db2.gz BPBYPIRUGXREAY-SLFFLAALSA-N 1 3 361.505 2.919 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001033095597 988787688 /nfs/dbraw/zinc/78/76/88/988787688.db2.gz BPBYPIRUGXREAY-SLFFLAALSA-N 1 3 361.505 2.919 20 0 FFADHO CCCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729140 988789968 /nfs/dbraw/zinc/78/99/68/988789968.db2.gz JWDJTQUMALVSED-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CN[C@H]1CC[N@@H+]3CCC[C@H]3C1)O2 ZINC000922793393 988909602 /nfs/dbraw/zinc/90/96/02/988909602.db2.gz DJTUCTQAKMEPQS-CZIMDPTCSA-N 1 3 364.530 2.872 20 0 FFADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CN[C@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000922793393 988909608 /nfs/dbraw/zinc/90/96/08/988909608.db2.gz DJTUCTQAKMEPQS-CZIMDPTCSA-N 1 3 364.530 2.872 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001099265662 989005212 /nfs/dbraw/zinc/00/52/12/989005212.db2.gz WAFFJBOCXUSLDV-OAGGEKHMSA-N 1 3 363.468 2.742 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](CC)OC)[C@H](C)C1 ZINC001106775579 989018767 /nfs/dbraw/zinc/01/87/67/989018767.db2.gz QYBJBBTYHRUBEO-QRVBRYPASA-N 1 3 355.567 2.608 20 0 FFADHO O=c1ccccn1CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000673857198 989329657 /nfs/dbraw/zinc/32/96/57/989329657.db2.gz JTYFTPQYPWXYRM-QFIPXVFZSA-N 1 3 351.494 2.836 20 0 FFADHO O=c1ccccn1CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000673857198 989329661 /nfs/dbraw/zinc/32/96/61/989329661.db2.gz JTYFTPQYPWXYRM-QFIPXVFZSA-N 1 3 351.494 2.836 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc2O1 ZINC000675511484 990296708 /nfs/dbraw/zinc/29/67/08/990296708.db2.gz JOFSHIUHSSARNK-HKUYNNGSSA-N 1 3 371.525 2.997 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2O1 ZINC000675511484 990296715 /nfs/dbraw/zinc/29/67/15/990296715.db2.gz JOFSHIUHSSARNK-HKUYNNGSSA-N 1 3 371.525 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001034939864 990323483 /nfs/dbraw/zinc/32/34/83/990323483.db2.gz PCPPVZFWSIPUNK-YVWKXTFCSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2OC2CC2)CC[N@H+]1C ZINC001034939864 990323486 /nfs/dbraw/zinc/32/34/86/990323486.db2.gz PCPPVZFWSIPUNK-YVWKXTFCSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000918118498 990337978 /nfs/dbraw/zinc/33/79/78/990337978.db2.gz ACNRMNVPKHWEPD-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000918122905 990339954 /nfs/dbraw/zinc/33/99/54/990339954.db2.gz VVAOVCCMWROCLX-GHTZIAJQSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1)N(C)C ZINC001483769109 990664968 /nfs/dbraw/zinc/66/49/68/990664968.db2.gz YWSPENXQWIXLOQ-ULQDDVLXSA-N 1 3 365.468 2.614 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C[C@@H]3CCN3C3CCOCC3)CC2)cc1 ZINC000922951619 990764488 /nfs/dbraw/zinc/76/44/88/990764488.db2.gz BIIGQMZINFTFNJ-QFIPXVFZSA-N 1 3 357.542 2.536 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920566595 990877614 /nfs/dbraw/zinc/87/76/14/990877614.db2.gz HTRAAYCPGBWDEI-DZGCQCFKSA-N 1 3 366.408 2.735 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920566595 990877617 /nfs/dbraw/zinc/87/76/17/990877617.db2.gz HTRAAYCPGBWDEI-DZGCQCFKSA-N 1 3 366.408 2.735 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000921274219 991028906 /nfs/dbraw/zinc/02/89/06/991028906.db2.gz QAGBZCOVZVNWBU-PMACEKPBSA-N 1 3 374.598 2.990 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000921274219 991028909 /nfs/dbraw/zinc/02/89/09/991028909.db2.gz QAGBZCOVZVNWBU-PMACEKPBSA-N 1 3 374.598 2.990 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1F ZINC001079299027 991988199 /nfs/dbraw/zinc/98/81/99/991988199.db2.gz SPJWXNXVJFKCTL-SXLOBPIMSA-N 1 3 361.505 2.706 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000383735310 992282194 /nfs/dbraw/zinc/28/21/94/992282194.db2.gz QCMNQHBHASPRFM-DENIHFKCSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000383735310 992282205 /nfs/dbraw/zinc/28/22/05/992282205.db2.gz QCMNQHBHASPRFM-DENIHFKCSA-N 1 3 363.505 2.902 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001080021924 992657163 /nfs/dbraw/zinc/65/71/63/992657163.db2.gz YQAFEIYKHNQUQK-DJIMGWMZSA-N 1 3 357.489 2.589 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001080021924 992657164 /nfs/dbraw/zinc/65/71/64/992657164.db2.gz YQAFEIYKHNQUQK-DJIMGWMZSA-N 1 3 357.489 2.589 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)C34CCCN3CCC4)C2)c1 ZINC001080037410 992686536 /nfs/dbraw/zinc/68/65/36/992686536.db2.gz KGEJDEWESXBLDY-TZIWHRDSSA-N 1 3 369.553 2.993 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CCCN3CCC4)C2)c1 ZINC001080037410 992686541 /nfs/dbraw/zinc/68/65/41/992686541.db2.gz KGEJDEWESXBLDY-TZIWHRDSSA-N 1 3 369.553 2.993 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N1CCCCCC1 ZINC001080554576 993160065 /nfs/dbraw/zinc/16/00/65/993160065.db2.gz WSSGISUFIOLKQF-ZHALLVOQSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N1CCCCCC1 ZINC001080554576 993160071 /nfs/dbraw/zinc/16/00/71/993160071.db2.gz WSSGISUFIOLKQF-ZHALLVOQSA-N 1 3 363.571 2.992 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cc1F ZINC001080667811 993278829 /nfs/dbraw/zinc/27/88/29/993278829.db2.gz YFJKZNJFTAGAPL-YLJYHZDGSA-N 1 3 361.505 2.803 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC001107040785 993293142 /nfs/dbraw/zinc/29/31/42/993293142.db2.gz NCGVOHSCLVLQCN-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC001107042332 993296439 /nfs/dbraw/zinc/29/64/39/993296439.db2.gz HXPINAKCQNQXDP-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC001107042382 993296470 /nfs/dbraw/zinc/29/64/70/993296470.db2.gz KHULPZSXLCLAME-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO C[C@@H]1CN(CCCc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080934747 993488778 /nfs/dbraw/zinc/48/87/78/993488778.db2.gz AFOQVXVCTNWHBZ-HHXXYDBFSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1CN(CCCc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080934747 993488785 /nfs/dbraw/zinc/48/87/85/993488785.db2.gz AFOQVXVCTNWHBZ-HHXXYDBFSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1c1ccncc1 ZINC000880258830 1015791865 /nfs/dbraw/zinc/79/18/65/1015791865.db2.gz CWCRHAICPYMGFS-KRWDZBQOSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@H]1C[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1c1ccncc1 ZINC000880258830 1015791872 /nfs/dbraw/zinc/79/18/72/1015791872.db2.gz CWCRHAICPYMGFS-KRWDZBQOSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001081179980 993739966 /nfs/dbraw/zinc/73/99/66/993739966.db2.gz VDHNAYIJHWLKKW-JRGCBEDISA-N 1 3 355.526 2.713 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001131519776 994350316 /nfs/dbraw/zinc/35/03/16/994350316.db2.gz YAGOKIUDLVJSBZ-DSTKZSRVSA-N 1 3 365.562 2.669 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001131512190 994355897 /nfs/dbraw/zinc/35/58/97/994355897.db2.gz RRJUEGJEJMFYEO-CTNGQTDRSA-N 1 3 365.562 2.503 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001131597302 994445472 /nfs/dbraw/zinc/44/54/72/994445472.db2.gz VTOPZEYADOVCQG-QUCCMNQESA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001082512182 994760991 /nfs/dbraw/zinc/76/09/91/994760991.db2.gz PKABMCNHOMZEGL-FGTMMUONSA-N 1 3 365.562 2.503 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001082544927 994887959 /nfs/dbraw/zinc/88/79/59/994887959.db2.gz YCTNMRNFBJHNBQ-XWIAVFTESA-N 1 3 364.559 2.571 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001082544927 994887965 /nfs/dbraw/zinc/88/79/65/994887965.db2.gz YCTNMRNFBJHNBQ-XWIAVFTESA-N 1 3 364.559 2.571 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000810709864 994895248 /nfs/dbraw/zinc/89/52/48/994895248.db2.gz BOPPUXFHAVMPPF-WIYYLYMNSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000810709864 994895255 /nfs/dbraw/zinc/89/52/55/994895255.db2.gz BOPPUXFHAVMPPF-WIYYLYMNSA-N 1 3 361.505 2.837 20 0 FFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC001082557561 994926932 /nfs/dbraw/zinc/92/69/32/994926932.db2.gz OGYZPXHUBOKOJA-QWQRMKEZSA-N 1 3 365.468 2.947 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082559909 994934003 /nfs/dbraw/zinc/93/40/03/994934003.db2.gz SGSIJWZQVYJGEX-PJSAGSTRSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001082559373 994934212 /nfs/dbraw/zinc/93/42/12/994934212.db2.gz CTRYCGLJCYJPSZ-XWIAVFTESA-N 1 3 365.468 2.901 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082719332 995348147 /nfs/dbraw/zinc/34/81/47/995348147.db2.gz AEUJTMAAPAZYSQ-FZKQIMNGSA-N 1 3 367.896 2.757 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2Cl)C1)[NH+](C)C ZINC001082724041 995359806 /nfs/dbraw/zinc/35/98/06/995359806.db2.gz ACKMAUPIXJDOJX-ZTFGCOKTSA-N 1 3 351.922 2.863 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C)sn1 ZINC001082783428 995491257 /nfs/dbraw/zinc/49/12/57/995491257.db2.gz XWJPEGKUUGDNGE-ZTFGCOKTSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C)sn1 ZINC001082783428 995491263 /nfs/dbraw/zinc/49/12/63/995491263.db2.gz XWJPEGKUUGDNGE-ZTFGCOKTSA-N 1 3 364.559 2.651 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)cc1 ZINC001096539106 1016005629 /nfs/dbraw/zinc/00/56/29/1016005629.db2.gz VGLJOMNHHPXLBN-WOZUAGRISA-N 1 3 355.526 2.812 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001096539106 1016005640 /nfs/dbraw/zinc/00/56/40/1016005640.db2.gz VGLJOMNHHPXLBN-WOZUAGRISA-N 1 3 355.526 2.812 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084403129 996544418 /nfs/dbraw/zinc/54/44/18/996544418.db2.gz GWUNYKIDFVWANP-QHAWAJNXSA-N 1 3 355.526 2.697 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084403129 996544421 /nfs/dbraw/zinc/54/44/21/996544421.db2.gz GWUNYKIDFVWANP-QHAWAJNXSA-N 1 3 355.526 2.697 20 0 FFADHO O=C(N1C[C@H]2CCN(CCCc3ccccc3)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484239 996603721 /nfs/dbraw/zinc/60/37/21/996603721.db2.gz KREQUHDRNWREEE-NHCUHLMSSA-N 1 3 367.537 2.780 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)[C@@H](C)C4)[C@@H]3C2)cc1 ZINC001084608876 996723359 /nfs/dbraw/zinc/72/33/59/996723359.db2.gz OCHSSBRUJMPKBK-MJUUVYJYSA-N 1 3 355.526 2.758 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)[C@@H](C)C4)[C@@H]3C2)cc1 ZINC001084608876 996723363 /nfs/dbraw/zinc/72/33/63/996723363.db2.gz OCHSSBRUJMPKBK-MJUUVYJYSA-N 1 3 355.526 2.758 20 0 FFADHO Cc1cccc([C@H](C)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001084630405 996735731 /nfs/dbraw/zinc/73/57/31/996735731.db2.gz DZCSVZBZDXKXCW-IOMROCGXSA-N 1 3 355.526 2.931 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084775452 997304633 /nfs/dbraw/zinc/30/46/33/997304633.db2.gz HNSFWKRTXNLFGY-NQSCKRDGSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084775452 997304645 /nfs/dbraw/zinc/30/46/45/997304645.db2.gz HNSFWKRTXNLFGY-NQSCKRDGSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000844050958 997628409 /nfs/dbraw/zinc/62/84/09/997628409.db2.gz OKMZFFVSDIFHKG-LVCYWYKZSA-N 1 3 361.505 2.661 20 0 FFADHO C[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000844050958 997628416 /nfs/dbraw/zinc/62/84/16/997628416.db2.gz OKMZFFVSDIFHKG-LVCYWYKZSA-N 1 3 361.505 2.661 20 0 FFADHO CC[C@@H](C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)N(CC)CC ZINC000844163725 997706328 /nfs/dbraw/zinc/70/63/28/997706328.db2.gz VMSQIXXDDYEBNY-ROUUACIJSA-N 1 3 361.486 2.654 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000844225200 997715386 /nfs/dbraw/zinc/71/53/86/997715386.db2.gz LERZRONVTWYHFL-MOPGFXCFSA-N 1 3 370.541 2.937 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000844225202 997715513 /nfs/dbraw/zinc/71/55/13/997715513.db2.gz LERZRONVTWYHFL-RBUKOAKNSA-N 1 3 370.541 2.937 20 0 FFADHO FC(F)(F)c1ccn([C@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755428 1016177697 /nfs/dbraw/zinc/17/76/97/1016177697.db2.gz GZFHOBQETHAMPM-LSDHHAIUSA-N 1 3 372.435 2.698 20 0 FFADHO CC(=O)Oc1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)cc1OC(C)=O ZINC001144287933 998288191 /nfs/dbraw/zinc/28/81/91/998288191.db2.gz WXWREHZRKISGAZ-UHFFFAOYSA-N 1 3 374.481 2.845 20 0 FFADHO [NH3+]CC1(c2ccccc2)CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000903793472 1016202487 /nfs/dbraw/zinc/20/24/87/1016202487.db2.gz SXEGTXAWEABZRZ-HXUWFJFHSA-N 1 3 355.526 2.913 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000903840783 1016252383 /nfs/dbraw/zinc/25/23/83/1016252383.db2.gz UNLVIWFKJRPMPP-CZGNIMDHSA-N 1 3 352.478 2.905 20 0 FFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085093401 998925273 /nfs/dbraw/zinc/92/52/73/998925273.db2.gz WOBIUVLJTHKDRP-KPFFTGBYSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085093401 998925277 /nfs/dbraw/zinc/92/52/77/998925277.db2.gz WOBIUVLJTHKDRP-KPFFTGBYSA-N 1 3 359.489 2.509 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC001085217446 999184433 /nfs/dbraw/zinc/18/44/33/999184433.db2.gz BNQXHSPGQPERJK-AQNXPRMDSA-N 1 3 365.562 2.695 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085254892 999269948 /nfs/dbraw/zinc/26/99/48/999269948.db2.gz CSSNVJFCGWHEFP-KURKYZTESA-N 1 3 364.559 2.781 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085254892 999269951 /nfs/dbraw/zinc/26/99/51/999269951.db2.gz CSSNVJFCGWHEFP-KURKYZTESA-N 1 3 364.559 2.781 20 0 FFADHO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2nc[nH]c2C)cc1 ZINC001085406506 999469203 /nfs/dbraw/zinc/46/92/03/999469203.db2.gz IRHLKCPEZPJFIB-RTBURBONSA-N 1 3 370.497 2.529 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2Cl)C1 ZINC001085422294 999496414 /nfs/dbraw/zinc/49/64/14/999496414.db2.gz NUULDBCMMMIOST-USXIJHARSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2Cl)C1 ZINC001085422294 999496416 /nfs/dbraw/zinc/49/64/16/999496416.db2.gz NUULDBCMMMIOST-USXIJHARSA-N 1 3 367.896 2.948 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000741487340 999729568 /nfs/dbraw/zinc/72/95/68/999729568.db2.gz KBNUHWKSUXZYLB-YLJYHZDGSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741487340 999729570 /nfs/dbraw/zinc/72/95/70/999729570.db2.gz KBNUHWKSUXZYLB-YLJYHZDGSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001086091377 999762320 /nfs/dbraw/zinc/76/23/20/999762320.db2.gz VJDPFLGUIJMYIQ-LTKULKHWSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001086091377 999762322 /nfs/dbraw/zinc/76/23/22/999762322.db2.gz VJDPFLGUIJMYIQ-LTKULKHWSA-N 1 3 365.468 2.850 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CO1 ZINC001169329852 1000040466 /nfs/dbraw/zinc/04/04/66/1000040466.db2.gz TVUXVRHECIMPFW-AFDCHOCNSA-N 1 3 372.509 2.597 20 0 FFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C2 ZINC001109398217 1000377839 /nfs/dbraw/zinc/37/78/39/1000377839.db2.gz UAJJFLUJSDBGGL-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C2 ZINC001109398217 1000377843 /nfs/dbraw/zinc/37/78/43/1000377843.db2.gz UAJJFLUJSDBGGL-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCOCC1)N(C)C ZINC001109427967 1000439803 /nfs/dbraw/zinc/43/98/03/1000439803.db2.gz FZIGULTUMPHJFC-FYQPLNBISA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCOCC1)N(C)C ZINC001109427967 1000439806 /nfs/dbraw/zinc/43/98/06/1000439806.db2.gz FZIGULTUMPHJFC-FYQPLNBISA-N 1 3 365.562 2.501 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091737277 1001182467 /nfs/dbraw/zinc/18/24/67/1001182467.db2.gz CWPXJWIDDQUODO-XPNTWCBSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091737277 1001182474 /nfs/dbraw/zinc/18/24/74/1001182474.db2.gz CWPXJWIDDQUODO-XPNTWCBSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)c3ccccc3C[NH+](C)C)C2)on1 ZINC001086883179 1001304305 /nfs/dbraw/zinc/30/43/05/1001304305.db2.gz UYHUSTUFUPIDGL-FUHWJXTLSA-N 1 3 370.497 2.733 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(OC)cc1 ZINC001110019089 1001321002 /nfs/dbraw/zinc/32/10/02/1001321002.db2.gz DVRQLPYUSNOFCO-GIVPXCGWSA-N 1 3 373.541 2.691 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(OC)cc1 ZINC001110019089 1001321010 /nfs/dbraw/zinc/32/10/10/1001321010.db2.gz DVRQLPYUSNOFCO-GIVPXCGWSA-N 1 3 373.541 2.691 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1 ZINC001112548711 1001458371 /nfs/dbraw/zinc/45/83/71/1001458371.db2.gz NMUMKQDBXZAJFL-UNMCSNQZSA-N 1 3 357.542 2.789 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000677825092 1016531099 /nfs/dbraw/zinc/53/10/99/1016531099.db2.gz HQFUBPMKHPUURP-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000677825092 1016531102 /nfs/dbraw/zinc/53/11/02/1016531102.db2.gz HQFUBPMKHPUURP-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001092010375 1002277247 /nfs/dbraw/zinc/27/72/47/1002277247.db2.gz CWNYIAHJKKSUGL-CDXJDZJCSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001092010375 1002277252 /nfs/dbraw/zinc/27/72/52/1002277252.db2.gz CWNYIAHJKKSUGL-CDXJDZJCSA-N 1 3 359.489 2.590 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013391 1002284356 /nfs/dbraw/zinc/28/43/56/1002284356.db2.gz PCDKHIABNCKPPS-WEYGHZABSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013391 1002284364 /nfs/dbraw/zinc/28/43/64/1002284364.db2.gz PCDKHIABNCKPPS-WEYGHZABSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cc1C ZINC001092013001 1002285801 /nfs/dbraw/zinc/28/58/01/1002285801.db2.gz GBRJWHRKSAORMS-OAOOKAIFSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cc1C ZINC001092013001 1002285809 /nfs/dbraw/zinc/28/58/09/1002285809.db2.gz GBRJWHRKSAORMS-OAOOKAIFSA-N 1 3 369.553 2.926 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CN(C/C=C\Cl)C[C@@]3(C)C2)C1 ZINC001092013120 1002286108 /nfs/dbraw/zinc/28/61/08/1002286108.db2.gz IMTLNCKPGBHUPS-KNOHHCKQSA-N 1 3 371.928 2.732 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CN(C/C=C\Cl)C[C@@]3(C)C2)C1 ZINC001092013120 1002286113 /nfs/dbraw/zinc/28/61/13/1002286113.db2.gz IMTLNCKPGBHUPS-KNOHHCKQSA-N 1 3 371.928 2.732 20 0 FFADHO Cc1cc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c(C)c1 ZINC001092050487 1002322605 /nfs/dbraw/zinc/32/26/05/1002322605.db2.gz UQUXDXDGNGDYMI-GCJKJVERSA-N 1 3 366.509 2.858 20 0 FFADHO Cc1cc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c(C)c1 ZINC001092050487 1002322616 /nfs/dbraw/zinc/32/26/16/1002322616.db2.gz UQUXDXDGNGDYMI-GCJKJVERSA-N 1 3 366.509 2.858 20 0 FFADHO Cn1nc(CNC2CCC(C)([NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC001184240415 1002535989 /nfs/dbraw/zinc/53/59/89/1002535989.db2.gz XFQZHCQTIUKWSL-UHFFFAOYSA-N 1 3 360.424 2.562 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cnn(-c2ccccc2)c1 ZINC000773069010 1002790528 /nfs/dbraw/zinc/79/05/28/1002790528.db2.gz MJUBPIARYKGPFI-DQLDELGASA-N 1 3 354.498 2.901 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H](C)C2)sn1 ZINC001092602805 1003208210 /nfs/dbraw/zinc/20/82/10/1003208210.db2.gz OTHDKLDCCUJQJH-QGPMSJSTSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H](C)C2)sn1 ZINC001092602805 1003208216 /nfs/dbraw/zinc/20/82/16/1003208216.db2.gz OTHDKLDCCUJQJH-QGPMSJSTSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCC2CCCCCC2)C[C@H]1O)[NH+](CC)CC ZINC001196133566 1003674497 /nfs/dbraw/zinc/67/44/97/1003674497.db2.gz WWGHHFXKOFYZMQ-VAMGGRTRSA-N 1 3 367.578 2.629 20 0 FFADHO C[NH+]1C(C)(C)CC(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cc2)CC1(C)C ZINC001197618397 1004280159 /nfs/dbraw/zinc/28/01/59/1004280159.db2.gz ABTIAHLPBUGIHW-LJQANCHMSA-N 1 3 373.541 2.634 20 0 FFADHO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775783888 1004320245 /nfs/dbraw/zinc/32/02/45/1004320245.db2.gz XOAHUBUPRLTKMW-XLIONFOSSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775783888 1004320251 /nfs/dbraw/zinc/32/02/51/1004320251.db2.gz XOAHUBUPRLTKMW-XLIONFOSSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(Cc4ncccc4C)C[C@H]32)CC[N@@H+]1C ZINC001050050821 1016871315 /nfs/dbraw/zinc/87/13/15/1016871315.db2.gz IEQFXNLBVPPCBT-FMWKFLBASA-N 1 3 370.541 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(Cc4ncccc4C)C[C@H]32)CC[N@H+]1C ZINC001050050821 1016871332 /nfs/dbraw/zinc/87/13/32/1016871332.db2.gz IEQFXNLBVPPCBT-FMWKFLBASA-N 1 3 370.541 2.543 20 0 FFADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1OC(F)F ZINC001201415951 1005211885 /nfs/dbraw/zinc/21/18/85/1005211885.db2.gz IONRAUHMXFWGNM-HZPDHXFCSA-N 1 3 370.440 2.764 20 0 FFADHO CC[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1cncs1)N(C)C ZINC001489069982 1005404169 /nfs/dbraw/zinc/40/41/69/1005404169.db2.gz UOESUWWBBKKAHT-BPQIPLTHSA-N 1 3 366.575 2.980 20 0 FFADHO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000852105438 1005941568 /nfs/dbraw/zinc/94/15/68/1005941568.db2.gz JVMZBPKEIZSUHA-VHTFYLNKSA-N 1 3 358.482 2.669 20 0 FFADHO COC(=O)/C=C/c1ccc(OCC[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000852105438 1005941570 /nfs/dbraw/zinc/94/15/70/1005941570.db2.gz JVMZBPKEIZSUHA-VHTFYLNKSA-N 1 3 358.482 2.669 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001097085366 1017013503 /nfs/dbraw/zinc/01/35/03/1017013503.db2.gz DOKGPYBJLKUDDR-YSFYHYPLSA-N 1 3 367.537 2.812 20 0 FFADHO COc1ccc([C@H](CNC(=O)C=C2CC[NH2+]CC2)N2CCCCC2)cc1 ZINC000852855247 1006209502 /nfs/dbraw/zinc/20/95/02/1006209502.db2.gz XKRAUXGXGBNHSJ-FQEVSTJZSA-N 1 3 357.498 2.648 20 0 FFADHO O=c1oc2ccc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc2o1 ZINC000883146099 1006671205 /nfs/dbraw/zinc/67/12/05/1006671205.db2.gz AHSYBJBXDVFOMP-UHFFFAOYSA-N 1 3 368.433 2.503 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000817928781 1007798603 /nfs/dbraw/zinc/79/86/03/1007798603.db2.gz ANLUZMPOTJTGPW-YHVDPYDOSA-N 1 3 352.482 2.719 20 0 FFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@H]1COC2(CCCCC2)O1 ZINC000817917321 1007808495 /nfs/dbraw/zinc/80/84/95/1007808495.db2.gz AXUHQYXUUXLYOP-XKGZKEIXSA-N 1 3 358.482 2.908 20 0 FFADHO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000818957945 1007996832 /nfs/dbraw/zinc/99/68/32/1007996832.db2.gz XDBIDPXFKNJKDS-JOCHJYFZSA-N 1 3 371.500 2.705 20 0 FFADHO Cc1cc(C)cc([C@@H](O)CNCc2ccncc2OCCC[NH+](C)C)c1 ZINC000819315570 1008111440 /nfs/dbraw/zinc/11/14/40/1008111440.db2.gz HYPMZMDTVSKPTA-FQEVSTJZSA-N 1 3 357.498 2.852 20 0 FFADHO c1n[nH]c2c1CCC[C@@H]2[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000857847238 1008223946 /nfs/dbraw/zinc/22/39/46/1008223946.db2.gz LATCBQFDYJUQHU-FQEVSTJZSA-N 1 3 353.514 2.585 20 0 FFADHO CN1CCN(CCC[NH2+][C@H]2CCCc3cn[nH]c32)[C@@H](c2ccccc2)C1 ZINC000857846744 1008224019 /nfs/dbraw/zinc/22/40/19/1008224019.db2.gz GIHDGBZYLPCPQQ-VQTJNVASSA-N 1 3 353.514 2.756 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2C)cc1CN1CCCCC1 ZINC000858522696 1008374071 /nfs/dbraw/zinc/37/40/71/1008374071.db2.gz HQDZCNUXELYJHR-XLIONFOSSA-N 1 3 361.530 2.662 20 0 FFADHO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccnc(CO)c3)CC2)cc1 ZINC000858561738 1008382361 /nfs/dbraw/zinc/38/23/61/1008382361.db2.gz YCKZYODXSQTNMA-UHFFFAOYSA-N 1 3 354.454 2.609 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC(Nc3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858561738 1008382365 /nfs/dbraw/zinc/38/23/65/1008382365.db2.gz YCKZYODXSQTNMA-UHFFFAOYSA-N 1 3 354.454 2.609 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001110754022 1008399869 /nfs/dbraw/zinc/39/98/69/1008399869.db2.gz FTTQDSZNZATTEI-AKHDSKFASA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001110754022 1008399871 /nfs/dbraw/zinc/39/98/71/1008399871.db2.gz FTTQDSZNZATTEI-AKHDSKFASA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001110754022 1008399873 /nfs/dbraw/zinc/39/98/73/1008399873.db2.gz FTTQDSZNZATTEI-AKHDSKFASA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001110754022 1008399875 /nfs/dbraw/zinc/39/98/75/1008399875.db2.gz FTTQDSZNZATTEI-AKHDSKFASA-N 1 3 353.526 2.968 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cncc(C(=O)OC)c2)[C@@H](C)C1 ZINC000886528769 1008721286 /nfs/dbraw/zinc/72/12/86/1008721286.db2.gz QREGHHFXGYYDKO-FCEWJHQRSA-N 1 3 363.502 2.656 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886604811 1008767966 /nfs/dbraw/zinc/76/79/66/1008767966.db2.gz CWBZROQPQIZDJD-MBDNFAEBSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886606927 1008769285 /nfs/dbraw/zinc/76/92/85/1008769285.db2.gz INWHBZQJDMDLPO-HGJUEJDCSA-N 1 3 360.542 2.787 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886606927 1008769296 /nfs/dbraw/zinc/76/92/96/1008769296.db2.gz INWHBZQJDMDLPO-HGJUEJDCSA-N 1 3 360.542 2.787 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886606927 1008769309 /nfs/dbraw/zinc/76/93/09/1008769309.db2.gz INWHBZQJDMDLPO-HGJUEJDCSA-N 1 3 360.542 2.787 20 0 FFADHO O=C1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CN1C1CC1 ZINC000886633052 1008783718 /nfs/dbraw/zinc/78/37/18/1008783718.db2.gz MAMSVTRIOWPCFC-JTJHWIPRSA-N 1 3 353.510 2.640 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001178708215 1009100693 /nfs/dbraw/zinc/10/06/93/1009100693.db2.gz DGYIALAGCBLBSR-AQNXPRMDSA-N 1 3 357.542 2.991 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001178708215 1009100698 /nfs/dbraw/zinc/10/06/98/1009100698.db2.gz DGYIALAGCBLBSR-AQNXPRMDSA-N 1 3 357.542 2.991 20 0 FFADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 ZINC001179817240 1009461548 /nfs/dbraw/zinc/46/15/48/1009461548.db2.gz PCDAQOLUSJLQSC-DFQSSKMNSA-N 1 3 357.498 2.717 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000152114115 1009754441 /nfs/dbraw/zinc/75/44/41/1009754441.db2.gz NUTLACSMACYKTQ-QGZVFWFLSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@@H](CC[NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)N1CCCCC1 ZINC000862322676 1009792379 /nfs/dbraw/zinc/79/23/79/1009792379.db2.gz KSGQNRFLQWDALW-OKZBNKHCSA-N 1 3 369.550 2.865 20 0 FFADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)N1CCCCC1 ZINC000862322674 1009792782 /nfs/dbraw/zinc/79/27/82/1009792782.db2.gz KSGQNRFLQWDALW-BZSNNMDCSA-N 1 3 369.550 2.865 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC001093226290 1010169818 /nfs/dbraw/zinc/16/98/18/1010169818.db2.gz ZVYUHUFDDYUMMU-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC001093226290 1010169824 /nfs/dbraw/zinc/16/98/24/1010169824.db2.gz ZVYUHUFDDYUMMU-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001093226120 1010170070 /nfs/dbraw/zinc/17/00/70/1010170070.db2.gz VURVQFBGROXBOW-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001093226120 1010170077 /nfs/dbraw/zinc/17/00/77/1010170077.db2.gz VURVQFBGROXBOW-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1C ZINC001093226175 1010171168 /nfs/dbraw/zinc/17/11/68/1010171168.db2.gz XHZQOZPJUWYRCO-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1C ZINC001093226175 1010171178 /nfs/dbraw/zinc/17/11/78/1010171178.db2.gz XHZQOZPJUWYRCO-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cn1ncc2cc(CNCc3ccc(OCCC[NH+](C)C)cc3)cnc21 ZINC000865446951 1010788599 /nfs/dbraw/zinc/78/85/99/1010788599.db2.gz GPQOWFKHHDDXML-UHFFFAOYSA-N 1 3 353.470 2.589 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(Cl)s3)[C@H](C)C2)C1 ZINC001094042292 1010805355 /nfs/dbraw/zinc/80/53/55/1010805355.db2.gz QYUYJOOFKJULIB-RBSFLKMASA-N 1 3 369.962 2.927 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(Cl)c1 ZINC001094075032 1010834548 /nfs/dbraw/zinc/83/45/48/1010834548.db2.gz WFZJIDMBFBHIEL-GDBMZVCRSA-N 1 3 360.889 2.798 20 0 FFADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161392 1011324201 /nfs/dbraw/zinc/32/42/01/1011324201.db2.gz CWBIHYMFJRYBBS-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161392 1011324212 /nfs/dbraw/zinc/32/42/12/1011324212.db2.gz CWBIHYMFJRYBBS-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161392 1011324223 /nfs/dbraw/zinc/32/42/23/1011324223.db2.gz CWBIHYMFJRYBBS-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001274409509 1011428253 /nfs/dbraw/zinc/42/82/53/1011428253.db2.gz WJBSOCACIUVCCE-HNNXBMFYSA-N 1 3 361.452 2.738 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001274409509 1011428259 /nfs/dbraw/zinc/42/82/59/1011428259.db2.gz WJBSOCACIUVCCE-HNNXBMFYSA-N 1 3 361.452 2.738 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)Cc1ccccc1 ZINC000645421489 1011478278 /nfs/dbraw/zinc/47/82/78/1011478278.db2.gz JZVWOIHIBDCKPG-IRLDBZIGSA-N 1 3 365.521 2.943 20 0 FFADHO CC1(C)C[C@H]([NH2+]C2CN(c3ccncn3)C2)CCN1Cc1ccccc1 ZINC001171978016 1011571726 /nfs/dbraw/zinc/57/17/26/1011571726.db2.gz FGWYVRSDSSHAKR-GOSISDBHSA-N 1 3 351.498 2.698 20 0 FFADHO CN1CCC(CO)([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172072073 1011609566 /nfs/dbraw/zinc/60/95/66/1011609566.db2.gz BOTNNBOANIIKHH-MZADTFQBSA-N 1 3 357.542 2.618 20 0 FFADHO C[C@@H]1COCCN1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077643 1011614566 /nfs/dbraw/zinc/61/45/66/1011614566.db2.gz USUIWOPQJBMCTL-PSWRPDDJSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1COCCN1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077643 1011614572 /nfs/dbraw/zinc/61/45/72/1011614572.db2.gz USUIWOPQJBMCTL-PSWRPDDJSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@]1(CO)CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172068206 1011628148 /nfs/dbraw/zinc/62/81/48/1011628148.db2.gz HZZWRNHQYFFTLR-CDJZJNNCSA-N 1 3 358.526 2.637 20 0 FFADHO C[C@]1(CO)CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1O ZINC001172068206 1011628153 /nfs/dbraw/zinc/62/81/53/1011628153.db2.gz HZZWRNHQYFFTLR-CDJZJNNCSA-N 1 3 358.526 2.637 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)CC1 ZINC000646282362 1011830425 /nfs/dbraw/zinc/83/04/25/1011830425.db2.gz DZSJANOWQRWTJO-LEWJYISDSA-N 1 3 370.541 2.791 20 0 FFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275069454 1011883768 /nfs/dbraw/zinc/88/37/68/1011883768.db2.gz QDZVBILJZNKVMH-DWLFOUALSA-N 1 3 357.542 2.912 20 0 FFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275069454 1011883774 /nfs/dbraw/zinc/88/37/74/1011883774.db2.gz QDZVBILJZNKVMH-DWLFOUALSA-N 1 3 357.542 2.912 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001172620666 1011926486 /nfs/dbraw/zinc/92/64/86/1011926486.db2.gz YZLXMKRKJPGZDV-IYWMVGAKSA-N 1 3 364.530 2.541 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001172620666 1011926505 /nfs/dbraw/zinc/92/65/05/1011926505.db2.gz YZLXMKRKJPGZDV-IYWMVGAKSA-N 1 3 364.530 2.541 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172714352 1011989976 /nfs/dbraw/zinc/98/99/76/1011989976.db2.gz XFHLQTFERGCHAP-CVEARBPZSA-N 1 3 353.894 2.987 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@@H]3CC=CCC3)C2)C1=O ZINC001276358099 1012510970 /nfs/dbraw/zinc/51/09/70/1012510970.db2.gz AKIILWRJMYAUGW-XMSQKQJNSA-N 1 3 353.510 2.895 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@@H]3CC=CCC3)C2)C1=O ZINC001276358099 1012510982 /nfs/dbraw/zinc/51/09/82/1012510982.db2.gz AKIILWRJMYAUGW-XMSQKQJNSA-N 1 3 353.510 2.895 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cc4c(cccc4Cl)[nH]3)C2)C1=O ZINC001275476449 1012514444 /nfs/dbraw/zinc/51/44/44/1012514444.db2.gz AMINACTYNZWITP-FQEVSTJZSA-N 1 3 374.916 2.807 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903656 1012624754 /nfs/dbraw/zinc/62/47/54/1012624754.db2.gz NWAWPVBQRZJDGO-UXHICEINSA-N 1 3 368.529 2.974 20 0 FFADHO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000870929584 1012641011 /nfs/dbraw/zinc/64/10/11/1012641011.db2.gz FHJXITJQTCNKGS-IYARVYRRSA-N 1 3 358.530 2.981 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCC1(c2ccccc2)CC1 ZINC000647976167 1012654547 /nfs/dbraw/zinc/65/45/47/1012654547.db2.gz LCTFYMSTUJJHML-OALUTQOASA-N 1 3 355.526 2.546 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978082 1012655068 /nfs/dbraw/zinc/65/50/68/1012655068.db2.gz MKXVQCXEKKMVSU-PMACEKPBSA-N 1 3 373.541 2.802 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3cccc(F)c3F)CC2)C1=O ZINC001275656830 1012770965 /nfs/dbraw/zinc/77/09/65/1012770965.db2.gz CFOFGRURJNXKNI-HXUWFJFHSA-N 1 3 365.468 2.731 20 0 FFADHO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001173605850 1012771488 /nfs/dbraw/zinc/77/14/88/1012771488.db2.gz HOPSLWKCGIVEBG-NDEQCLPFSA-N 1 3 364.530 2.731 20 0 FFADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001173630184 1012801852 /nfs/dbraw/zinc/80/18/52/1012801852.db2.gz GFZPXSIZOTUQER-MJGOQNOKSA-N 1 3 352.519 2.589 20 0 FFADHO NC1(c2ccccc2Cl)CC[NH+]([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173746658 1012938729 /nfs/dbraw/zinc/93/87/29/1012938729.db2.gz QSEPZHPCFIIKMD-LSDHHAIUSA-N 1 3 360.893 2.760 20 0 FFADHO CCON1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000924706077 1017435131 /nfs/dbraw/zinc/43/51/31/1017435131.db2.gz LAQFGNFYHDJAJC-UHFFFAOYSA-N 1 3 374.573 2.590 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)[C@H](C1CC1)N1CCCC1 ZINC001097579837 1017659834 /nfs/dbraw/zinc/65/98/34/1017659834.db2.gz GVTHCJPSZIVJKM-CZYKHXBRSA-N 1 3 367.537 2.825 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)[C@H](C1CC1)N1CCCC1 ZINC001097579837 1017659838 /nfs/dbraw/zinc/65/98/38/1017659838.db2.gz GVTHCJPSZIVJKM-CZYKHXBRSA-N 1 3 367.537 2.825 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001097579837 1017659843 /nfs/dbraw/zinc/65/98/43/1017659843.db2.gz GVTHCJPSZIVJKM-CZYKHXBRSA-N 1 3 367.537 2.825 20 0 FFADHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000925441029 1017743468 /nfs/dbraw/zinc/74/34/68/1017743468.db2.gz WUJZSNJEWPSOMU-YOUFYPILSA-N 1 3 362.562 2.919 20 0 FFADHO C[N@H+]1CC=C(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000678911045 1017751674 /nfs/dbraw/zinc/75/16/74/1017751674.db2.gz ZGAAGKWWTDJKMH-HXUWFJFHSA-N 1 3 356.514 2.775 20 0 FFADHO C[N@@H+]1CC=C(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000678911045 1017751690 /nfs/dbraw/zinc/75/16/90/1017751690.db2.gz ZGAAGKWWTDJKMH-HXUWFJFHSA-N 1 3 356.514 2.775 20 0 FFADHO C[C@H]([NH3+])[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000925484119 1017765627 /nfs/dbraw/zinc/76/56/27/1017765627.db2.gz CJSWORTYGGKQOU-PGRDOPGGSA-N 1 3 352.526 2.612 20 0 FFADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925552362 1017783401 /nfs/dbraw/zinc/78/34/01/1017783401.db2.gz JVJZTAQHQFANCS-FKBYEOEOSA-N 1 3 369.553 2.978 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000925780145 1017846500 /nfs/dbraw/zinc/84/65/00/1017846500.db2.gz OYHXPEPLLDGCGS-LIUKBUMOSA-N 1 3 374.435 2.750 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C34CC(c5ccccc5)(C3)C4)CC2)CC1 ZINC000682888304 1018996627 /nfs/dbraw/zinc/99/66/27/1018996627.db2.gz GMDYRFRCOYOZQM-UHFFFAOYSA-N 1 3 367.537 2.783 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN3C(C)C)c(C)c2)CC1 ZINC000929395128 1019405077 /nfs/dbraw/zinc/40/50/77/1019405077.db2.gz NSHHQAAYKZQGTF-HXUWFJFHSA-N 1 3 358.530 2.948 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@@H]2CC[NH2+]C[C@H]2F)O1 ZINC001217794963 1032872069 /nfs/dbraw/zinc/87/20/69/1032872069.db2.gz PKNTVAKOYVFYJP-QWFCFKBJSA-N 1 3 350.478 2.773 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(Cc4cccnc4)C3)C2)CC[N@@H+]1C ZINC001045939207 1020352540 /nfs/dbraw/zinc/35/25/40/1020352540.db2.gz XSXATFVSWLJVPG-UZKOGDIHSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(Cc4cccnc4)C3)C2)CC[N@H+]1C ZINC001045939207 1020352548 /nfs/dbraw/zinc/35/25/48/1020352548.db2.gz XSXATFVSWLJVPG-UZKOGDIHSA-N 1 3 370.541 2.626 20 0 FFADHO C[NH+](C)CC1(O)CCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000931482839 1020484934 /nfs/dbraw/zinc/48/49/34/1020484934.db2.gz PXLXCPOWLVKPGL-UHFFFAOYSA-N 1 3 363.502 2.922 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(F)cc3F)[C@@H]2C)CC[N@@H+]1C ZINC001074663131 1020663174 /nfs/dbraw/zinc/66/31/74/1020663174.db2.gz JGKBOZWHSNSIBU-ZAUBIYILSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(F)cc3F)[C@@H]2C)CC[N@H+]1C ZINC001074663131 1020663179 /nfs/dbraw/zinc/66/31/79/1020663179.db2.gz JGKBOZWHSNSIBU-ZAUBIYILSA-N 1 3 365.468 2.774 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccc(Cl)cc2)C1 ZINC001098393624 1020867646 /nfs/dbraw/zinc/86/76/46/1020867646.db2.gz AHWLQDHZMUPSCR-AITUJVMLSA-N 1 3 361.917 2.556 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccc(Cl)cc2)C1 ZINC001098393624 1020867654 /nfs/dbraw/zinc/86/76/54/1020867654.db2.gz AHWLQDHZMUPSCR-AITUJVMLSA-N 1 3 361.917 2.556 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1 ZINC001098461165 1020927580 /nfs/dbraw/zinc/92/75/80/1020927580.db2.gz RLZFSVRIPOSSHP-NRSPTQNISA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCOCC1 ZINC001098461165 1020927590 /nfs/dbraw/zinc/92/75/90/1020927590.db2.gz RLZFSVRIPOSSHP-NRSPTQNISA-N 1 3 371.525 2.510 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(F)cc2)C3)C1 ZINC001099119748 1021854933 /nfs/dbraw/zinc/85/49/33/1021854933.db2.gz SAANOAHJLVGKKS-WFXMLNOXSA-N 1 3 359.489 2.638 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(F)cc2)C3)C1 ZINC001099119748 1021854948 /nfs/dbraw/zinc/85/49/48/1021854948.db2.gz SAANOAHJLVGKKS-WFXMLNOXSA-N 1 3 359.489 2.638 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc4ccccc4c3)C2)CC[N@@H+]1C ZINC001014485329 1021857759 /nfs/dbraw/zinc/85/77/59/1021857759.db2.gz VMBOGDAYWMIUPZ-TYCQWZJGSA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc4ccccc4c3)C2)CC[N@H+]1C ZINC001014485329 1021857768 /nfs/dbraw/zinc/85/77/68/1021857768.db2.gz VMBOGDAYWMIUPZ-TYCQWZJGSA-N 1 3 351.494 2.871 20 0 FFADHO O=C(N[C@]12CCC[C@H]1CN(C/C=C/c1ccccc1)C2)C12CC[NH+](CC1)C2 ZINC001099121322 1021860356 /nfs/dbraw/zinc/86/03/56/1021860356.db2.gz WESOVFOIFWIOKK-JTBUHFEOSA-N 1 3 365.521 2.766 20 0 FFADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520845 1033025868 /nfs/dbraw/zinc/02/58/68/1033025868.db2.gz LNXOLFCWGQXPHX-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1ccccc1-c1ccccc1C[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520845 1033025876 /nfs/dbraw/zinc/02/58/76/1033025876.db2.gz LNXOLFCWGQXPHX-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1ccccc1-c1ccccc1CN1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520845 1033025888 /nfs/dbraw/zinc/02/58/88/1033025888.db2.gz LNXOLFCWGQXPHX-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001017132486 1022166177 /nfs/dbraw/zinc/16/61/77/1022166177.db2.gz JHWQQAPLZSVFNV-ZIFCJYIRSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)Cc3ccccc3F)C2)CC[N@H+]1C ZINC001017132486 1022166181 /nfs/dbraw/zinc/16/61/81/1022166181.db2.gz JHWQQAPLZSVFNV-ZIFCJYIRSA-N 1 3 361.505 2.836 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C(F)(F)F ZINC001099346139 1022337800 /nfs/dbraw/zinc/33/78/00/1022337800.db2.gz IRWWOOJAZKZFKV-HZPDHXFCSA-N 1 3 357.420 2.751 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC3CC3)C2)c1 ZINC001099346229 1022338312 /nfs/dbraw/zinc/33/83/12/1022338312.db2.gz LNNVDLMLHYBYGV-IAGOWNOFSA-N 1 3 369.431 2.751 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2cc[nH]c2c1 ZINC001111233299 1022521925 /nfs/dbraw/zinc/52/19/25/1022521925.db2.gz LKCMSHUURZNYOT-RLLQIKCJSA-N 1 3 354.498 2.731 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2cc[nH]c2c1 ZINC001111233299 1022521935 /nfs/dbraw/zinc/52/19/35/1022521935.db2.gz LKCMSHUURZNYOT-RLLQIKCJSA-N 1 3 354.498 2.731 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)c1cccc(OC)c1 ZINC001111234651 1022530810 /nfs/dbraw/zinc/53/08/10/1022530810.db2.gz NDUIGFRKLPCZKQ-QOJCHSLYSA-N 1 3 359.514 2.820 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)c1cccc(OC)c1 ZINC001111234651 1022530814 /nfs/dbraw/zinc/53/08/14/1022530814.db2.gz NDUIGFRKLPCZKQ-QOJCHSLYSA-N 1 3 359.514 2.820 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ccccc3)C2)CCC1 ZINC001099446085 1022539779 /nfs/dbraw/zinc/53/97/79/1022539779.db2.gz JQHMLWCYFAZVGH-FPOVZHCZSA-N 1 3 355.526 2.889 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001099453152 1022552161 /nfs/dbraw/zinc/55/21/61/1022552161.db2.gz DGVOHDVVVMNMNP-DSKINZAPSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ccsc3)C2)C1 ZINC001099500476 1022636726 /nfs/dbraw/zinc/63/67/26/1022636726.db2.gz SSKGNUFIVLRFBH-QRFRQXIXSA-N 1 3 361.555 2.808 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001222656873 1033095214 /nfs/dbraw/zinc/09/52/14/1033095214.db2.gz YQYNDZVVURRKHF-QYZOEREBSA-N 1 3 353.526 2.922 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001222656873 1033095222 /nfs/dbraw/zinc/09/52/22/1033095222.db2.gz YQYNDZVVURRKHF-QYZOEREBSA-N 1 3 353.526 2.922 20 0 FFADHO N[C@@H](CC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccccc1 ZINC001122224957 1023126087 /nfs/dbraw/zinc/12/60/87/1023126087.db2.gz SKDNXVGIABNPOA-RBUKOAKNSA-N 1 3 365.477 2.839 20 0 FFADHO CN(C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C)C1 ZINC001119969337 1023187366 /nfs/dbraw/zinc/18/73/66/1023187366.db2.gz BFRRYYJMCXYOCJ-FPOVZHCZSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C)C1 ZINC001119969337 1023187370 /nfs/dbraw/zinc/18/73/70/1023187370.db2.gz BFRRYYJMCXYOCJ-FPOVZHCZSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000948381048 1023243419 /nfs/dbraw/zinc/24/34/19/1023243419.db2.gz CSPDSLVQZWMTBO-SLFFLAALSA-N 1 3 358.530 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3ccccn3)CC2)CC[N@H+]1C ZINC000948381048 1023243428 /nfs/dbraw/zinc/24/34/28/1023243428.db2.gz CSPDSLVQZWMTBO-SLFFLAALSA-N 1 3 358.530 2.625 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)cc1 ZINC001111277349 1023311116 /nfs/dbraw/zinc/31/11/16/1023311116.db2.gz NEBJGVYQKPEYMF-NJYVYQBISA-N 1 3 373.541 2.610 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[C@H]1C[NH3+] ZINC001120474913 1023335492 /nfs/dbraw/zinc/33/54/92/1023335492.db2.gz NNUIKAGPHNZJLB-OWCLPIDISA-N 1 3 350.532 2.511 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)NC1(C2CC[NH2+]CC2)CC1 ZINC001120480359 1023336348 /nfs/dbraw/zinc/33/63/48/1023336348.db2.gz RNZPQZHGRQUPEI-IBGZPJMESA-N 1 3 356.514 2.655 20 0 FFADHO CC(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122786123 1023471811 /nfs/dbraw/zinc/47/18/11/1023471811.db2.gz LKJHCEJDVRAADN-QGZVFWFLSA-N 1 3 362.566 2.710 20 0 FFADHO C[C@@H]([NH3+])C1(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CCOCC1 ZINC001122137414 1024374097 /nfs/dbraw/zinc/37/40/97/1024374097.db2.gz PMVBTDHMXBNHTM-GFCCVEGCSA-N 1 3 373.419 2.850 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344824 1024508045 /nfs/dbraw/zinc/50/80/45/1024508045.db2.gz FZBUGLUDWDARAO-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1 ZINC001101440511 1024746887 /nfs/dbraw/zinc/74/68/87/1024746887.db2.gz OQLIRYQCUBGKSY-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1 ZINC001101440511 1024746904 /nfs/dbraw/zinc/74/69/04/1024746904.db2.gz OQLIRYQCUBGKSY-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]21)N(CC)CC ZINC001218623636 1033250225 /nfs/dbraw/zinc/25/02/25/1033250225.db2.gz DXPAJSUFWSVDDJ-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]21)N(CC)CC ZINC001218623636 1033250230 /nfs/dbraw/zinc/25/02/30/1033250230.db2.gz DXPAJSUFWSVDDJ-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047430 1025355308 /nfs/dbraw/zinc/35/53/08/1025355308.db2.gz GUIYRTWYRDSDND-YFVAEKQCSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047430 1025355323 /nfs/dbraw/zinc/35/53/23/1025355323.db2.gz GUIYRTWYRDSDND-YFVAEKQCSA-N 1 3 357.542 2.828 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1 ZINC001102047361 1025355382 /nfs/dbraw/zinc/35/53/82/1025355382.db2.gz DQNMFXXSQQWEAG-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1 ZINC001102047361 1025355397 /nfs/dbraw/zinc/35/53/97/1025355397.db2.gz DQNMFXXSQQWEAG-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287066 1025696381 /nfs/dbraw/zinc/69/63/81/1025696381.db2.gz KZXRPVANCJRBNK-NVXWUHKLSA-N 1 3 363.933 2.866 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C)N(C)C ZINC001102330289 1025759666 /nfs/dbraw/zinc/75/96/66/1025759666.db2.gz NENRHRRTHKDULZ-ZPMCFJSWSA-N 1 3 371.569 2.946 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C)N(C)C ZINC001102330289 1025759676 /nfs/dbraw/zinc/75/96/76/1025759676.db2.gz NENRHRRTHKDULZ-ZPMCFJSWSA-N 1 3 371.569 2.946 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1C)N(C)C ZINC001102330320 1025760758 /nfs/dbraw/zinc/76/07/58/1025760758.db2.gz OSOVWILDWCIQSF-BZUAXINKSA-N 1 3 365.484 2.989 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C)N(C)C ZINC001102330320 1025760773 /nfs/dbraw/zinc/76/07/73/1025760773.db2.gz OSOVWILDWCIQSF-BZUAXINKSA-N 1 3 365.484 2.989 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c1 ZINC001102368360 1025826371 /nfs/dbraw/zinc/82/63/71/1025826371.db2.gz QKXMJBNNUBCTTE-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c1 ZINC001102368360 1025826384 /nfs/dbraw/zinc/82/63/84/1025826384.db2.gz QKXMJBNNUBCTTE-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]2C)C1 ZINC001102370199 1025834433 /nfs/dbraw/zinc/83/44/33/1025834433.db2.gz UGGXYWSDYIUXGK-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]2C)C1 ZINC001102370199 1025834456 /nfs/dbraw/zinc/83/44/56/1025834456.db2.gz UGGXYWSDYIUXGK-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)CCN1Cc1ccccc1 ZINC000638722323 1025950343 /nfs/dbraw/zinc/95/03/43/1025950343.db2.gz QUWFOPHGOOXCQU-NQIIRXRSSA-N 1 3 359.558 2.864 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638728956 1025967208 /nfs/dbraw/zinc/96/72/08/1025967208.db2.gz NUOGJYBGNWHHSQ-IBGZPJMESA-N 1 3 373.541 2.816 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCCCOC)C[C@H]1C ZINC001102472352 1026039023 /nfs/dbraw/zinc/03/90/23/1026039023.db2.gz XKSIIGMKOKFPPH-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1C ZINC001102472352 1026039039 /nfs/dbraw/zinc/03/90/39/1026039039.db2.gz XKSIIGMKOKFPPH-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1C ZINC001102472186 1026041930 /nfs/dbraw/zinc/04/19/30/1026041930.db2.gz NAEDXWJHZFZIBI-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1C ZINC001102472186 1026041950 /nfs/dbraw/zinc/04/19/50/1026041950.db2.gz NAEDXWJHZFZIBI-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](CC)OC)C[C@H]1C ZINC001102472389 1026042008 /nfs/dbraw/zinc/04/20/08/1026042008.db2.gz ZSIWMLVKOJKVAB-QRVBRYPASA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@H]1C ZINC001102472389 1026042030 /nfs/dbraw/zinc/04/20/30/1026042030.db2.gz ZSIWMLVKOJKVAB-QRVBRYPASA-N 1 3 355.567 2.608 20 0 FFADHO COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)C(C)(C)[NH3+])cc1 ZINC000638862791 1026054451 /nfs/dbraw/zinc/05/44/51/1026054451.db2.gz JDLKUTHQCDFZMQ-VQTJNVASSA-N 1 3 367.493 2.517 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](N(C)[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)CC2 ZINC000639173460 1026206426 /nfs/dbraw/zinc/20/64/26/1026206426.db2.gz YYORJWZWNYXMQP-ICSRJNTNSA-N 1 3 373.541 2.791 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](N(C)[C@H]1CC[N@H+](C3CCN(C)CC3)C1)CC2 ZINC000639173460 1026206435 /nfs/dbraw/zinc/20/64/35/1026206435.db2.gz YYORJWZWNYXMQP-ICSRJNTNSA-N 1 3 373.541 2.791 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C ZINC001102525254 1026216712 /nfs/dbraw/zinc/21/67/12/1026216712.db2.gz SXLVAQJUUXECTG-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C ZINC001102525254 1026216722 /nfs/dbraw/zinc/21/67/22/1026216722.db2.gz SXLVAQJUUXECTG-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@H](C)C2)s1 ZINC001102595943 1026388108 /nfs/dbraw/zinc/38/81/08/1026388108.db2.gz FLRZDUUXBAJFEV-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO CN1CC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)CC12CCCCC2 ZINC000639657773 1026422985 /nfs/dbraw/zinc/42/29/85/1026422985.db2.gz BUUMMLIVEGPUEV-QFIPXVFZSA-N 1 3 357.542 2.574 20 0 FFADHO CN1CC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)CC12CCCCC2 ZINC000639657773 1026422990 /nfs/dbraw/zinc/42/29/90/1026422990.db2.gz BUUMMLIVEGPUEV-QFIPXVFZSA-N 1 3 357.542 2.574 20 0 FFADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)N1CCc2ccccc21 ZINC000639681877 1026431820 /nfs/dbraw/zinc/43/18/20/1026431820.db2.gz GSFHHSPEICEOCA-UHFFFAOYSA-N 1 3 350.466 2.573 20 0 FFADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)N1CCc2ccccc21 ZINC000639681877 1026431825 /nfs/dbraw/zinc/43/18/25/1026431825.db2.gz GSFHHSPEICEOCA-UHFFFAOYSA-N 1 3 350.466 2.573 20 0 FFADHO COc1ccc([C@@H](NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)C(C)C)cc1 ZINC000639761653 1026459542 /nfs/dbraw/zinc/45/95/42/1026459542.db2.gz HHSCUMCVZDJXNJ-NRFANRHFSA-N 1 3 373.541 2.926 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102782448 1026647025 /nfs/dbraw/zinc/64/70/25/1026647025.db2.gz LUNDGEBCVLWEMF-IDHHARJASA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102782448 1026647030 /nfs/dbraw/zinc/64/70/30/1026647030.db2.gz LUNDGEBCVLWEMF-IDHHARJASA-N 1 3 365.468 2.633 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C)N(C)C ZINC001103140140 1026996064 /nfs/dbraw/zinc/99/60/64/1026996064.db2.gz OPGBQZMJBUVHTB-YVWKXTFCSA-N 1 3 361.530 2.610 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1C)N(C)C ZINC001103140140 1026996068 /nfs/dbraw/zinc/99/60/68/1026996068.db2.gz OPGBQZMJBUVHTB-YVWKXTFCSA-N 1 3 361.530 2.610 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1C ZINC001103157822 1027012919 /nfs/dbraw/zinc/01/29/19/1027012919.db2.gz DUSMJYHDZHLRGF-RTBURBONSA-N 1 3 369.594 2.854 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1C ZINC001103157822 1027012920 /nfs/dbraw/zinc/01/29/20/1027012920.db2.gz DUSMJYHDZHLRGF-RTBURBONSA-N 1 3 369.594 2.854 20 0 FFADHO CN1CCC(N(c2nc(Cl)nc3c2CCCC3)C2CC[NH2+]CC2)CC1 ZINC001158575364 1027065014 /nfs/dbraw/zinc/06/50/14/1027065014.db2.gz NMEIFTIDILYFGN-UHFFFAOYSA-N 1 3 363.937 2.661 20 0 FFADHO Cc1cccc(N(C(=O)[C@@H](N)C2CCCCC2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339053 1027360291 /nfs/dbraw/zinc/36/02/91/1027360291.db2.gz LFJPHNCCXSCXSS-ONTIZHBOSA-N 1 3 371.525 2.757 20 0 FFADHO Cn1ccc2c1ncnc2N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001159626511 1027448012 /nfs/dbraw/zinc/44/80/12/1027448012.db2.gz YUDWVLIAOSDYKB-IYARVYRRSA-N 1 3 368.529 2.719 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(Cc3cccnc3C)CC2)CC[N@@H+]1C ZINC001160169126 1027619102 /nfs/dbraw/zinc/61/91/02/1027619102.db2.gz JUXURDRHGKPTNO-LEWJYISDSA-N 1 3 370.541 2.759 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(Cc3cccnc3C)CC2)CC[N@H+]1C ZINC001160169126 1027619113 /nfs/dbraw/zinc/61/91/13/1027619113.db2.gz JUXURDRHGKPTNO-LEWJYISDSA-N 1 3 370.541 2.759 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC001103542145 1027659191 /nfs/dbraw/zinc/65/91/91/1027659191.db2.gz IIHBDEMRZIYBNP-WOJBJXKFSA-N 1 3 369.594 2.998 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC001103542145 1027659196 /nfs/dbraw/zinc/65/91/96/1027659196.db2.gz IIHBDEMRZIYBNP-WOJBJXKFSA-N 1 3 369.594 2.998 20 0 FFADHO CN1CCN(c2ccc(Nc3ccccc3CN3CC[NH2+]CC3)cc2)CC1 ZINC001160296808 1027664451 /nfs/dbraw/zinc/66/44/51/1027664451.db2.gz KMZJPPYFDFPDPB-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC001160956757 1027946858 /nfs/dbraw/zinc/94/68/58/1027946858.db2.gz OEBOEWJVGMXBGK-QUCCMNQESA-N 1 3 373.541 2.754 20 0 FFADHO c1ccc(C[NH+]2CCC(CNc3cccc(N4CCOCC4)n3)CC2)nc1 ZINC001161246678 1028091962 /nfs/dbraw/zinc/09/19/62/1028091962.db2.gz XQTJEOQTGODZFP-UHFFFAOYSA-N 1 3 367.497 2.637 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C ZINC001103757372 1028148190 /nfs/dbraw/zinc/14/81/90/1028148190.db2.gz YEKSGCMFLTXWLM-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C ZINC001103757372 1028148197 /nfs/dbraw/zinc/14/81/97/1028148197.db2.gz YEKSGCMFLTXWLM-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccc(CN(C(=O)c2ccc(CN)nc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161400411 1028159450 /nfs/dbraw/zinc/15/94/50/1028159450.db2.gz HKLGCBSONLBGQP-KESTWPANSA-N 1 3 352.482 2.761 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001162479900 1028552425 /nfs/dbraw/zinc/55/24/25/1028552425.db2.gz DRZDBLMVVAIJLQ-HKBOAZHASA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001162479900 1028552441 /nfs/dbraw/zinc/55/24/41/1028552441.db2.gz DRZDBLMVVAIJLQ-HKBOAZHASA-N 1 3 355.526 2.840 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCC[C@@H]3COc4ccccc4O3)n2)CC1 ZINC001162542809 1028576445 /nfs/dbraw/zinc/57/64/45/1028576445.db2.gz WREXEJJJCMWAGY-MRXNPFEDSA-N 1 3 354.454 2.651 20 0 FFADHO F[C@]1(CNc2nc(N3CCOCC3)cc3ccccc32)CCCC[NH2+]C1 ZINC001162580912 1028588472 /nfs/dbraw/zinc/58/84/72/1028588472.db2.gz WEEZSJMHSIGGMO-HXUWFJFHSA-N 1 3 358.461 2.965 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1nc2ccccc2nc1N1CCCCC1 ZINC001163128186 1028814229 /nfs/dbraw/zinc/81/42/29/1028814229.db2.gz DGGBWUDVDHTRNQ-UHFFFAOYSA-N 1 3 369.517 2.898 20 0 FFADHO FC(F)(F)c1ccc2nccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC001163171806 1028831235 /nfs/dbraw/zinc/83/12/35/1028831235.db2.gz OKCGGKOYVTXRLI-NDGTYSDOSA-N 1 3 351.372 2.712 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001111855632 1029626603 /nfs/dbraw/zinc/62/66/03/1029626603.db2.gz FOHDJPRRUFSNAW-UGKGYDQZSA-N 1 3 370.541 2.511 20 0 FFADHO Cc1nc2ccc(F)cc2c(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157837462 1029672972 /nfs/dbraw/zinc/67/29/72/1029672972.db2.gz CJFPZDJPJJMHDP-UHFFFAOYSA-N 1 3 357.477 2.541 20 0 FFADHO O=C([C@@H]1C[C@H](c2ccccc2)CC[NH2+]1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337622 1029800824 /nfs/dbraw/zinc/80/08/24/1029800824.db2.gz ZBLFBFXXGPNWKS-KDXIVRHGSA-N 1 3 361.489 2.620 20 0 FFADHO C[C@H](N)c1ccn(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)n1 ZINC001158356254 1029806901 /nfs/dbraw/zinc/80/69/01/1029806901.db2.gz PEOIQJNMUIGYLR-JTQLQIEISA-N 1 3 353.804 2.926 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001112004824 1029853756 /nfs/dbraw/zinc/85/37/56/1029853756.db2.gz MKHIQZGTYYAZBT-UNMCSNQZSA-N 1 3 370.541 2.737 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113157 1030034795 /nfs/dbraw/zinc/03/47/95/1030034795.db2.gz GQZYMGPIZTYKCJ-XEVLESSRSA-N 1 3 361.452 2.806 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001112160197 1030121536 /nfs/dbraw/zinc/12/15/36/1030121536.db2.gz XTTASEPLQDMNTQ-RBSFLKMASA-N 1 3 365.484 2.988 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000841291682 1030164705 /nfs/dbraw/zinc/16/47/05/1030164705.db2.gz KNRNTWKUQZVAJO-FQEVSTJZSA-N 1 3 368.481 2.983 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC2=CCCCC2)C1 ZINC001112190142 1030187859 /nfs/dbraw/zinc/18/78/59/1030187859.db2.gz NDUSGDOSPBZZIQ-HZPDHXFCSA-N 1 3 361.452 2.808 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC2=CCCCC2)C1 ZINC001112190142 1030187865 /nfs/dbraw/zinc/18/78/65/1030187865.db2.gz NDUSGDOSPBZZIQ-HZPDHXFCSA-N 1 3 361.452 2.808 20 0 FFADHO c1cc(-c2ccc3c(C4CN(c5ncc6c(n5)CNC6)C4)ncn3c2)co1 ZINC001166495032 1030423209 /nfs/dbraw/zinc/42/32/09/1030423209.db2.gz GDTBWHFTWDRXAT-UHFFFAOYSA-N 1 3 358.405 2.591 20 0 FFADHO c1cc(-c2ccc3c(C4CN(c5ncc6c(n5)C[NH2+]C6)C4)ncn3c2)co1 ZINC001166495032 1030423214 /nfs/dbraw/zinc/42/32/14/1030423214.db2.gz GDTBWHFTWDRXAT-UHFFFAOYSA-N 1 3 358.405 2.591 20 0 FFADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000796753419 1030906493 /nfs/dbraw/zinc/90/64/93/1030906493.db2.gz MIAROHPVVBVHQE-LJQANCHMSA-N 1 3 358.486 2.534 20 0 FFADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000796753419 1030906511 /nfs/dbraw/zinc/90/65/11/1030906511.db2.gz MIAROHPVVBVHQE-LJQANCHMSA-N 1 3 358.486 2.534 20 0 FFADHO COC(=O)Cc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142909222 1031036812 /nfs/dbraw/zinc/03/68/12/1031036812.db2.gz TWFNHCWXIGCLFQ-FGZHOGPDSA-N 1 3 364.489 2.966 20 0 FFADHO C[NH+](C)CCOc1cccc(-c2noc([C@H]3CNCc4ccccc43)n2)c1 ZINC000843186267 1031230133 /nfs/dbraw/zinc/23/01/33/1031230133.db2.gz LQQPFKGLXUWUQH-IBGZPJMESA-N 1 3 364.449 2.912 20 0 FFADHO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)o1 ZINC001204392144 1031264441 /nfs/dbraw/zinc/26/44/41/1031264441.db2.gz XUSRSBOHUQKQFC-NHCUHLMSSA-N 1 3 361.530 2.603 20 0 FFADHO CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)o1 ZINC001204392144 1031264451 /nfs/dbraw/zinc/26/44/51/1031264451.db2.gz XUSRSBOHUQKQFC-NHCUHLMSSA-N 1 3 361.530 2.603 20 0 FFADHO CC(=O)n1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c2ccccc21 ZINC001204406596 1031271028 /nfs/dbraw/zinc/27/10/28/1031271028.db2.gz LSJJJGMKNDILJE-LEWJYISDSA-N 1 3 354.498 2.512 20 0 FFADHO CC(=O)n1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c2ccccc21 ZINC001204406596 1031271037 /nfs/dbraw/zinc/27/10/37/1031271037.db2.gz LSJJJGMKNDILJE-LEWJYISDSA-N 1 3 354.498 2.512 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CCC[NH+]3CCCC3)cc2)CC1 ZINC000799204936 1031697115 /nfs/dbraw/zinc/69/71/15/1031697115.db2.gz RRTWDOKSMGOQPW-UHFFFAOYSA-N 1 3 373.545 2.778 20 0 FFADHO [NH3+]C[C@]1(F)CCCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC001205591288 1031857246 /nfs/dbraw/zinc/85/72/46/1031857246.db2.gz JSYHUPKZRJGIOM-HNNXBMFYSA-N 1 3 355.255 2.978 20 0 FFADHO C[C@H]1CCN(Cc2c[nH]c3ncc(Br)nc23)CC[C@H]1C[NH3+] ZINC001205654023 1031908333 /nfs/dbraw/zinc/90/83/33/1031908333.db2.gz WGCZBTYZNGUOOM-QWRGUYRKSA-N 1 3 352.280 2.527 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CCC2)C1 ZINC001205674355 1031925512 /nfs/dbraw/zinc/92/55/12/1031925512.db2.gz MUXQRVGOQPDCTF-AZUAARDMSA-N 1 3 361.505 2.852 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nc(Cl)c(Cl)nc1Cl ZINC001218759135 1033328864 /nfs/dbraw/zinc/32/88/64/1033328864.db2.gz MWOCFPFQRIJGBO-QMMMGPOBSA-N 1 3 368.696 2.871 20 0 FFADHO O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218957038 1033427049 /nfs/dbraw/zinc/42/70/49/1033427049.db2.gz FGOFUKQIOUQHRI-HNNXBMFYSA-N 1 3 357.841 2.880 20 0 FFADHO Cc1cc(N)ccc1CCc1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1C ZINC001218962932 1033430726 /nfs/dbraw/zinc/43/07/26/1033430726.db2.gz NFPFHIUNNOKUSD-FQEVSTJZSA-N 1 3 354.498 2.676 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC001218996564 1033448257 /nfs/dbraw/zinc/44/82/57/1033448257.db2.gz ZOUBFHJKCFILNN-PXNSSMCTSA-N 1 3 353.466 2.671 20 0 FFADHO N[C@@H](C(=O)Nc1cc(F)cc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001219076020 1033509361 /nfs/dbraw/zinc/50/93/61/1033509361.db2.gz BMUAEKLAHIKWNX-LJQANCHMSA-N 1 3 357.429 2.670 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC001219274330 1033581014 /nfs/dbraw/zinc/58/10/14/1033581014.db2.gz ZCINRQLUUUESGY-JTQLQIEISA-N 1 3 373.297 2.999 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001223830851 1033606745 /nfs/dbraw/zinc/60/67/45/1033606745.db2.gz LOYPZPPPICOKGW-VQTJNVASSA-N 1 3 358.530 2.743 20 0 FFADHO CC(=O)O[C@H]1C[C@@H]2C[C@H](O[C@@H](CC[NH+](C)C)c3ccccc3)C[C@H]1N2C ZINC001224133883 1033733335 /nfs/dbraw/zinc/73/33/35/1033733335.db2.gz ODBVJELWWBMKDN-WHZJULEDSA-N 1 3 360.498 2.863 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831417354 1034069235 /nfs/dbraw/zinc/06/92/35/1034069235.db2.gz UFCKKHIKTXWHIO-RBUKOAKNSA-N 1 3 367.497 2.704 20 0 FFADHO Cc1cccc(C[C@]2(C(=O)N[C@H](C)CN3CCC(C)CC3)CCC[NH2+]2)c1 ZINC001220335156 1034123661 /nfs/dbraw/zinc/12/36/61/1034123661.db2.gz IHPBSZBXRAOWGE-KNQAVFIVSA-N 1 3 357.542 2.896 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1C(F)(F)F ZINC001220558899 1034253919 /nfs/dbraw/zinc/25/39/19/1034253919.db2.gz QIQDJBXEWANIAE-WFASDCNBSA-N 1 3 355.404 2.757 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1C(F)(F)F ZINC001220558899 1034253935 /nfs/dbraw/zinc/25/39/35/1034253935.db2.gz QIQDJBXEWANIAE-WFASDCNBSA-N 1 3 355.404 2.757 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001220726363 1034357941 /nfs/dbraw/zinc/35/79/41/1034357941.db2.gz TYAXTZKDBVGAPD-QYZOEREBSA-N 1 3 367.578 2.629 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001220726363 1034357945 /nfs/dbraw/zinc/35/79/45/1034357945.db2.gz TYAXTZKDBVGAPD-QYZOEREBSA-N 1 3 367.578 2.629 20 0 FFADHO N[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCc2cc(F)ccc2C1 ZINC001220919125 1034459026 /nfs/dbraw/zinc/45/90/26/1034459026.db2.gz UYMBVWDLLMAXGS-NQIIRXRSSA-N 1 3 359.489 2.535 20 0 FFADHO N[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCc2cc(F)ccc2C1 ZINC001220919125 1034459034 /nfs/dbraw/zinc/45/90/34/1034459034.db2.gz UYMBVWDLLMAXGS-NQIIRXRSSA-N 1 3 359.489 2.535 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001221021882 1034502461 /nfs/dbraw/zinc/50/24/61/1034502461.db2.gz QMGNBOORRZMOAR-JKSUJKDBSA-N 1 3 372.435 2.727 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)cc1 ZINC001221248476 1034624703 /nfs/dbraw/zinc/62/47/03/1034624703.db2.gz XVYDIDGRQFJUHH-DENIHFKCSA-N 1 3 357.542 2.892 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CCCCN2C2CC2)([NH+](C)C)C1 ZINC001221294357 1034654597 /nfs/dbraw/zinc/65/45/97/1034654597.db2.gz QUTXXQPHWPEVJK-POAQFYNOSA-N 1 3 350.551 2.813 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ns1 ZINC001226555281 1034733495 /nfs/dbraw/zinc/73/34/95/1034733495.db2.gz YWMSTCOLOSMSJH-BRWVUGGUSA-N 1 3 370.538 2.648 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC001221472719 1034798134 /nfs/dbraw/zinc/79/81/34/1034798134.db2.gz OJOXZRHKWDOJEW-IEBWSBKVSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC001221472719 1034798145 /nfs/dbraw/zinc/79/81/45/1034798145.db2.gz OJOXZRHKWDOJEW-IEBWSBKVSA-N 1 3 358.530 2.948 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226889852 1034873091 /nfs/dbraw/zinc/87/30/91/1034873091.db2.gz DHXRCJQSDORRGY-BHIYHBOVSA-N 1 3 362.518 2.628 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226889852 1034873099 /nfs/dbraw/zinc/87/30/99/1034873099.db2.gz DHXRCJQSDORRGY-BHIYHBOVSA-N 1 3 362.518 2.628 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001226890384 1034875611 /nfs/dbraw/zinc/87/56/11/1034875611.db2.gz MFPADBKMCHWTEH-GUDVDZBRSA-N 1 3 362.493 2.612 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001226890384 1034875613 /nfs/dbraw/zinc/87/56/13/1034875613.db2.gz MFPADBKMCHWTEH-GUDVDZBRSA-N 1 3 362.493 2.612 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001226932930 1034888155 /nfs/dbraw/zinc/88/81/55/1034888155.db2.gz VAJDIXDPHYDBPU-AQNXPRMDSA-N 1 3 361.530 2.798 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001227057568 1034923320 /nfs/dbraw/zinc/92/33/20/1034923320.db2.gz VVAGAISTUWTPNR-KZNAEPCWSA-N 1 3 353.457 2.822 20 0 FFADHO C[C@H]1C[C@H](Oc2c(CN(C)C)cc(C[NH+](C)C)cc2CN(C)C)CCO1 ZINC001227164482 1034956532 /nfs/dbraw/zinc/95/65/32/1034956532.db2.gz JWTUAAQWJYGWHL-OXJNMPFZSA-N 1 3 363.546 2.818 20 0 FFADHO CN(CCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21)c1cc[nH+]cc1 ZINC001221658986 1034959678 /nfs/dbraw/zinc/95/96/78/1034959678.db2.gz DAHXJTXEIQDPNU-TZIWHRDSSA-N 1 3 364.493 2.641 20 0 FFADHO O[C@@H]1CCC[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139514668 1035144175 /nfs/dbraw/zinc/14/41/75/1035144175.db2.gz MVTQAVFECCKHGS-JOCHJYFZSA-N 1 3 365.521 2.966 20 0 FFADHO O[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139514668 1035144179 /nfs/dbraw/zinc/14/41/79/1035144179.db2.gz MVTQAVFECCKHGS-JOCHJYFZSA-N 1 3 365.521 2.966 20 0 FFADHO COC(=O)CCn1nc(C)c(CN(C)CC2CC[NH+](C(C)C)CC2)c1C ZINC001139786145 1035232666 /nfs/dbraw/zinc/23/26/66/1035232666.db2.gz AHKIQSVVNZVQSI-UHFFFAOYSA-N 1 3 364.534 2.615 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc(N)nc1)CC2 ZINC001232367063 1035626804 /nfs/dbraw/zinc/62/68/04/1035626804.db2.gz AMWOMBBHBGDIRN-HXUWFJFHSA-N 1 3 366.509 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc(N)nc1)CC2 ZINC001232367063 1035626811 /nfs/dbraw/zinc/62/68/11/1035626811.db2.gz AMWOMBBHBGDIRN-HXUWFJFHSA-N 1 3 366.509 2.919 20 0 FFADHO CSc1cc(C)cc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)c1 ZINC001277690987 1035883017 /nfs/dbraw/zinc/88/30/17/1035883017.db2.gz QJWPBQOYZYRJKE-FQEVSTJZSA-N 1 3 361.555 2.703 20 0 FFADHO CSc1cc(C)cc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)c1 ZINC001277690987 1035883024 /nfs/dbraw/zinc/88/30/24/1035883024.db2.gz QJWPBQOYZYRJKE-FQEVSTJZSA-N 1 3 361.555 2.703 20 0 FFADHO Cn1cc(C[N@@H+]2CC[C@@H]3CN(Cc4cc(Cl)ccc4N)C[C@@H]3C2)cn1 ZINC001140715431 1035977344 /nfs/dbraw/zinc/97/73/44/1035977344.db2.gz MCCPLUPXDVRIKE-WBVHZDCISA-N 1 3 359.905 2.610 20 0 FFADHO Cn1cc(C[N@H+]2CC[C@@H]3CN(Cc4cc(Cl)ccc4N)C[C@@H]3C2)cn1 ZINC001140715431 1035977362 /nfs/dbraw/zinc/97/73/62/1035977362.db2.gz MCCPLUPXDVRIKE-WBVHZDCISA-N 1 3 359.905 2.610 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1)CC(C)(C)C ZINC001228647367 1036229212 /nfs/dbraw/zinc/22/92/12/1036229212.db2.gz RWHLMTDNOVIFDM-IAGOWNOFSA-N 1 3 366.575 2.681 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1)N1CCCCCC1 ZINC001228925545 1036411881 /nfs/dbraw/zinc/41/18/81/1036411881.db2.gz XSMWGTYYBRQKEL-DFQSSKMNSA-N 1 3 365.562 2.837 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001233738695 1036738717 /nfs/dbraw/zinc/73/87/17/1036738717.db2.gz CNTJVPSGZPFWOB-MJGOQNOKSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001233738695 1036738732 /nfs/dbraw/zinc/73/87/32/1036738732.db2.gz CNTJVPSGZPFWOB-MJGOQNOKSA-N 1 3 360.546 2.927 20 0 FFADHO C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(Cc1ccc3ncsc3c1)CC2 ZINC001277905532 1037230354 /nfs/dbraw/zinc/23/03/54/1037230354.db2.gz XRICIFBULUKRCQ-INIZCTEOSA-N 1 3 372.538 2.576 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001235182860 1037399488 /nfs/dbraw/zinc/39/94/88/1037399488.db2.gz SCIOUJUYVDEGLH-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001235182860 1037399498 /nfs/dbraw/zinc/39/94/98/1037399498.db2.gz SCIOUJUYVDEGLH-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(F)c(Cl)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235350554 1037497558 /nfs/dbraw/zinc/49/75/58/1037497558.db2.gz SKMALKQUTQNAQD-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)C2)cc1 ZINC001235482464 1037579149 /nfs/dbraw/zinc/57/91/49/1037579149.db2.gz AZCGENIMTHVVCQ-JBACZVJFSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@@H+](C)C(C)(C)CC3)C2)cc1 ZINC001235506461 1037594248 /nfs/dbraw/zinc/59/42/48/1037594248.db2.gz JPMZKABFVLGATE-IBGZPJMESA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@H+](C)C(C)(C)CC3)C2)cc1 ZINC001235506461 1037594261 /nfs/dbraw/zinc/59/42/61/1037594261.db2.gz JPMZKABFVLGATE-IBGZPJMESA-N 1 3 358.530 2.695 20 0 FFADHO CN(Cc1ccco1)[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@@H]2CCCO[C@H]12 ZINC001235531128 1037610766 /nfs/dbraw/zinc/61/07/66/1037610766.db2.gz GKVDZOURLUTHJX-TYPHKJRUSA-N 1 3 361.530 2.581 20 0 FFADHO [NH3+]Cc1cccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001235598849 1037638623 /nfs/dbraw/zinc/63/86/23/1037638623.db2.gz WSWLBQHNWVZUAM-FPOVZHCZSA-N 1 3 355.457 2.622 20 0 FFADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CC1(C)CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001207818678 1037754444 /nfs/dbraw/zinc/75/44/44/1037754444.db2.gz WIIVFIWAOXEXBW-OXQOHEQNSA-N 1 3 351.535 2.907 20 0 FFADHO CCOC[C@@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cnn(CC3CC3)c21 ZINC001208107858 1038040691 /nfs/dbraw/zinc/04/06/91/1038040691.db2.gz WFTYXZLCXULTTK-IBGZPJMESA-N 1 3 360.546 2.961 20 0 FFADHO COc1ccnc(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001231968486 1038062455 /nfs/dbraw/zinc/06/24/55/1038062455.db2.gz XQAFQOQISWZXIB-UHFFFAOYSA-N 1 3 367.493 2.957 20 0 FFADHO COc1ccnc(CN2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001231968486 1038062475 /nfs/dbraw/zinc/06/24/75/1038062475.db2.gz XQAFQOQISWZXIB-UHFFFAOYSA-N 1 3 367.493 2.957 20 0 FFADHO C[NH+](C)CC1(CN2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)CCCC1 ZINC001208185975 1038121251 /nfs/dbraw/zinc/12/12/51/1038121251.db2.gz FZVWRHUZDXAMBC-AZUAARDMSA-N 1 3 361.530 2.534 20 0 FFADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255677804 1038121915 /nfs/dbraw/zinc/12/19/15/1038121915.db2.gz XWKJCRVTDQELJI-RFQIGKHKSA-N 1 3 357.542 2.881 20 0 FFADHO COc1cccc(O[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC001236534900 1038122491 /nfs/dbraw/zinc/12/24/91/1038122491.db2.gz BYEZXYIENUNYMF-IBGZPJMESA-N 1 3 353.466 2.779 20 0 FFADHO Cc1cccnc1O[C@H]1CCCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001236537608 1038125395 /nfs/dbraw/zinc/12/53/95/1038125395.db2.gz YTYVOYIKZVEIBQ-FQEVSTJZSA-N 1 3 366.509 2.843 20 0 FFADHO COc1ccc(O[C@@H]2CCCN(Cc3ccc4c(c3)CC[NH2+]C4)C2)nc1 ZINC001236622504 1038160258 /nfs/dbraw/zinc/16/02/58/1038160258.db2.gz OYTYGDYXQYBIQH-HXUWFJFHSA-N 1 3 353.466 2.779 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@]3(CCN3c3ncccn3)C2)c1 ZINC001232147842 1038197600 /nfs/dbraw/zinc/19/76/00/1038197600.db2.gz MNARMJQDIAWLJW-FQEVSTJZSA-N 1 3 355.461 2.532 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001255960104 1038273580 /nfs/dbraw/zinc/27/35/80/1038273580.db2.gz QTHYUDPQKWTGHE-GOSISDBHSA-N 1 3 373.545 2.525 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001255960104 1038273587 /nfs/dbraw/zinc/27/35/87/1038273587.db2.gz QTHYUDPQKWTGHE-GOSISDBHSA-N 1 3 373.545 2.525 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001255960104 1038273592 /nfs/dbraw/zinc/27/35/92/1038273592.db2.gz QTHYUDPQKWTGHE-GOSISDBHSA-N 1 3 373.545 2.525 20 0 FFADHO FC(F)(F)c1ccc([C@H]2C[NH2+]CCN2Cc2ccc3n2CCNC3)cc1 ZINC001236804931 1038280326 /nfs/dbraw/zinc/28/03/26/1038280326.db2.gz VTBWRKHGGYCXEB-GOSISDBHSA-N 1 3 364.415 2.757 20 0 FFADHO CCN(CC)CC[C@H](C)[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001255971387 1038282010 /nfs/dbraw/zinc/28/20/10/1038282010.db2.gz JMCRFKBURAPHKE-HNNXBMFYSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255977229 1038284737 /nfs/dbraw/zinc/28/47/37/1038284737.db2.gz MGSSSKLNTBXERW-AWEZNQCLSA-N 1 3 357.420 2.637 20 0 FFADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255977229 1038284747 /nfs/dbraw/zinc/28/47/47/1038284747.db2.gz MGSSSKLNTBXERW-AWEZNQCLSA-N 1 3 357.420 2.637 20 0 FFADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255977229 1038284752 /nfs/dbraw/zinc/28/47/52/1038284752.db2.gz MGSSSKLNTBXERW-AWEZNQCLSA-N 1 3 357.420 2.637 20 0 FFADHO CCOC(=O)N1CC[C@H](N2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)C1 ZINC001256034467 1038327515 /nfs/dbraw/zinc/32/75/15/1038327515.db2.gz XRZJFXZUFRQXNG-ZCNNSNEGSA-N 1 3 357.498 2.589 20 0 FFADHO CCOC(=O)N1CC[C@H](N2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)C1 ZINC001256034467 1038327527 /nfs/dbraw/zinc/32/75/27/1038327527.db2.gz XRZJFXZUFRQXNG-ZCNNSNEGSA-N 1 3 357.498 2.589 20 0 FFADHO c1ccc(CN2CCOC3(CCN(C4CC[NH+](C5CC5)CC4)CC3)C2)cc1 ZINC001256078521 1038364715 /nfs/dbraw/zinc/36/47/15/1038364715.db2.gz OUXFNOVIOHAANA-UHFFFAOYSA-N 1 3 369.553 2.980 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001208600668 1038439319 /nfs/dbraw/zinc/43/93/19/1038439319.db2.gz WLOFWXSOBHKPJL-BHIFYINESA-N 1 3 373.541 2.810 20 0 FFADHO C[NH+](C)CCCN1CCN(C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256314700 1038477376 /nfs/dbraw/zinc/47/73/76/1038477376.db2.gz NXGPWJVNVKOPJL-UHFFFAOYSA-N 1 3 364.965 2.878 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cncc(-c2ccccc2)c1 ZINC001278941567 1038536726 /nfs/dbraw/zinc/53/67/26/1038536726.db2.gz WRCCMYSFKCNVPN-VXKWHMMOSA-N 1 3 350.510 2.959 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cncc(-c2ccccc2)c1 ZINC001278941567 1038536735 /nfs/dbraw/zinc/53/67/35/1038536735.db2.gz WRCCMYSFKCNVPN-VXKWHMMOSA-N 1 3 350.510 2.959 20 0 FFADHO C[C@@H]1C[C@@H](NCCOc2ccccc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256527990 1038545471 /nfs/dbraw/zinc/54/54/71/1038545471.db2.gz BVPOQISZFGMTMC-MJGOQNOKSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@@H]1C[C@@H](NCCOc2ccccc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256527990 1038545477 /nfs/dbraw/zinc/54/54/77/1038545477.db2.gz BVPOQISZFGMTMC-MJGOQNOKSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@H]1C[C@@H](NCc2ccccc2-n2cnnn2)CC[N@@H+]1Cc1ccccc1 ZINC001256529530 1038546432 /nfs/dbraw/zinc/54/64/32/1038546432.db2.gz URIFEGBUGYXKBU-PXNSSMCTSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@H]1C[C@@H](NCc2ccccc2-n2cnnn2)CC[N@H+]1Cc1ccccc1 ZINC001256529530 1038546440 /nfs/dbraw/zinc/54/64/40/1038546440.db2.gz URIFEGBUGYXKBU-PXNSSMCTSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCC(N3CCN(C)CC3)CC2)CCN1Cc1ccccc1 ZINC001256550515 1038554890 /nfs/dbraw/zinc/55/48/90/1038554890.db2.gz MUMBCFFSEQZFSP-NFBKMPQASA-N 1 3 370.585 2.751 20 0 FFADHO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256630902 1038586133 /nfs/dbraw/zinc/58/61/33/1038586133.db2.gz MUBOZFJHBQMYJW-PJEZACDQSA-N 1 3 357.542 2.835 20 0 FFADHO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256630902 1038586136 /nfs/dbraw/zinc/58/61/36/1038586136.db2.gz MUBOZFJHBQMYJW-PJEZACDQSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256630902 1038586139 /nfs/dbraw/zinc/58/61/39/1038586139.db2.gz MUBOZFJHBQMYJW-PJEZACDQSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256630902 1038586141 /nfs/dbraw/zinc/58/61/41/1038586141.db2.gz MUBOZFJHBQMYJW-PJEZACDQSA-N 1 3 357.542 2.835 20 0 FFADHO COc1cccc(CN2CC[C@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)c1 ZINC001256681203 1038600739 /nfs/dbraw/zinc/60/07/39/1038600739.db2.gz OKGKHYIRSBUCOQ-KBWCOIMZSA-N 1 3 373.541 2.503 20 0 FFADHO CCOC(=O)[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256681143 1038600774 /nfs/dbraw/zinc/60/07/74/1038600774.db2.gz LSCWTZMUALPNBY-MHJFOBGBSA-N 1 3 360.498 2.566 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)C[C@H](C)O1 ZINC001257092683 1038708241 /nfs/dbraw/zinc/70/82/41/1038708241.db2.gz GQFRYWHWJKNVIV-CEQLMSFQSA-N 1 3 373.541 2.952 20 0 FFADHO CC[C@@H]1C[C@H](N2CCC([NH3+])(CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001257122728 1038716637 /nfs/dbraw/zinc/71/66/37/1038716637.db2.gz WCUXOJHUWNFAJM-IAGOWNOFSA-N 1 3 369.550 2.994 20 0 FFADHO C[NH+](C)CC1CCN(CC2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001209234695 1038724857 /nfs/dbraw/zinc/72/48/57/1038724857.db2.gz ZOYLKSWFMLZFTR-UHFFFAOYSA-N 1 3 357.514 2.999 20 0 FFADHO CC(C)[NH+]1CCC(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001257215339 1038747568 /nfs/dbraw/zinc/74/75/68/1038747568.db2.gz DPHRQAPQXUVGJM-TZIWHRDSSA-N 1 3 361.505 2.836 20 0 FFADHO CC[NH+](CC)CCN1CCN(CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209369781 1038788092 /nfs/dbraw/zinc/78/80/92/1038788092.db2.gz UXZLPPKYIITZHP-UHFFFAOYSA-N 1 3 370.582 2.641 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cc(F)cnc3Cl)C[C@H]2CC1 ZINC001279031359 1038909117 /nfs/dbraw/zinc/90/91/17/1038909117.db2.gz OOSAQWNGZFRTHK-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cc(F)cnc3Cl)C[C@H]2CC1 ZINC001279031359 1038909124 /nfs/dbraw/zinc/90/91/24/1038909124.db2.gz OOSAQWNGZFRTHK-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO c1cc(CN2CCOCC3(CC[NH+]([C@@H]4CCCSC4)CC3)C2)ccn1 ZINC001257673945 1038924099 /nfs/dbraw/zinc/92/40/99/1038924099.db2.gz AKRMBVGXQYAKED-LJQANCHMSA-N 1 3 361.555 2.892 20 0 FFADHO CN(C)CCC[N@H+](C)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251082626 1038934327 /nfs/dbraw/zinc/93/43/27/1038934327.db2.gz XPRXQGSYPLJWNA-MRXNPFEDSA-N 1 3 355.482 2.944 20 0 FFADHO CN(C)CCC[N@@H+](C)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251082626 1038934334 /nfs/dbraw/zinc/93/43/34/1038934334.db2.gz XPRXQGSYPLJWNA-MRXNPFEDSA-N 1 3 355.482 2.944 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC4(COC4)CC3)cc2)CC1 ZINC001257899658 1039050086 /nfs/dbraw/zinc/05/00/86/1039050086.db2.gz VIZKBASKRJQAQP-UHFFFAOYSA-N 1 3 357.542 2.873 20 0 FFADHO COc1cccc(C2(C[NH2+]C3CCN(CC(C)C)CC3)CCOCC2)n1 ZINC001258007962 1039105216 /nfs/dbraw/zinc/10/52/16/1039105216.db2.gz YBNRQFNKUKKLMS-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO COc1cccc(C2(CNC3CC[NH+](CC(C)C)CC3)CCOCC2)n1 ZINC001258007962 1039105226 /nfs/dbraw/zinc/10/52/26/1039105226.db2.gz YBNRQFNKUKKLMS-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)CC1 ZINC001258014372 1039112571 /nfs/dbraw/zinc/11/25/71/1039112571.db2.gz HKOFAAZMEORQKM-HXUWFJFHSA-N 1 3 370.541 2.640 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCc1cc(C(F)(F)F)ccc1F ZINC001245999681 1039185245 /nfs/dbraw/zinc/18/52/45/1039185245.db2.gz JDLZZANYSQOUGD-ZWKOTPCHSA-N 1 3 370.390 2.908 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCc1cc(C(F)(F)F)ccc1F ZINC001245999681 1039185251 /nfs/dbraw/zinc/18/52/51/1039185251.db2.gz JDLZZANYSQOUGD-ZWKOTPCHSA-N 1 3 370.390 2.908 20 0 FFADHO C[C@H]1CN(C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C[C@H]1C[NH3+] ZINC001246014350 1039190860 /nfs/dbraw/zinc/19/08/60/1039190860.db2.gz BCGYTUYWIKXZHF-ARFHVFGLSA-N 1 3 353.466 2.587 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246017320 1039194810 /nfs/dbraw/zinc/19/48/10/1039194810.db2.gz AGENZPXBCYIBHA-NQIIRXRSSA-N 1 3 362.514 2.705 20 0 FFADHO CCCC[C@@H](CC)COC[C@@H](O)CN(CCCOC)C1CC[NH2+]CC1 ZINC001246048373 1039218740 /nfs/dbraw/zinc/21/87/40/1039218740.db2.gz ZTVDVYZVJWJBIM-QUCCMNQESA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@@H](CC)COC[C@@H](O)C[N@H+](CCCOC)C1CCNCC1 ZINC001246048373 1039218755 /nfs/dbraw/zinc/21/87/55/1039218755.db2.gz ZTVDVYZVJWJBIM-QUCCMNQESA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](CCCOC)C1CCNCC1 ZINC001246048373 1039218766 /nfs/dbraw/zinc/21/87/66/1039218766.db2.gz ZTVDVYZVJWJBIM-QUCCMNQESA-N 1 3 358.567 2.671 20 0 FFADHO CN1CCN(CCNc2ccc(Nc3cc[nH+]c(C4CC4)c3)cn2)CC1 ZINC001209816882 1039244367 /nfs/dbraw/zinc/24/43/67/1039244367.db2.gz DFVMEXYDIOMRID-UHFFFAOYSA-N 1 3 352.486 2.757 20 0 FFADHO C[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(I)cc3C2)C[C@H](C)[NH2+]1 ZINC001246270261 1039292630 /nfs/dbraw/zinc/29/26/30/1039292630.db2.gz LOYUPXHIIZEMPT-OXUXUCFPSA-N 1 3 370.278 2.877 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(I)cc3C2)C[C@H](C)N1 ZINC001246270261 1039292640 /nfs/dbraw/zinc/29/26/40/1039292640.db2.gz LOYUPXHIIZEMPT-OXUXUCFPSA-N 1 3 370.278 2.877 20 0 FFADHO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)OC(C)(C)O1 ZINC001246283687 1039297194 /nfs/dbraw/zinc/29/71/94/1039297194.db2.gz XJPFMOCJZGGBTE-OZSLIKBDSA-N 1 3 368.518 2.501 20 0 FFADHO Clc1ccc(CN2CCO[C@@H](C[NH2+][C@@H]3CCCNC3)C2)cc1Cl ZINC001246342486 1039317788 /nfs/dbraw/zinc/31/77/88/1039317788.db2.gz AKAMNHLFJNJJEB-CABCVRRESA-N 1 3 358.313 2.536 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H](CC2CC[NH2+]CC2)c2ccccc2)CN1 ZINC001246395585 1039334556 /nfs/dbraw/zinc/33/45/56/1039334556.db2.gz NTXLAKMAFWSJFI-AABGKKOBSA-N 1 3 373.541 2.779 20 0 FFADHO COc1cccc(C2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246414864 1039345942 /nfs/dbraw/zinc/34/59/42/1039345942.db2.gz JNQFHLLDJGGAMT-ZBFHGGJFSA-N 1 3 357.420 2.546 20 0 FFADHO CCOC(=O)CC1([NH3+])CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258419348 1039361672 /nfs/dbraw/zinc/36/16/72/1039361672.db2.gz YQVYFPKCTWJTGN-UHFFFAOYSA-N 1 3 363.477 2.541 20 0 FFADHO CCOC(=O)CC1(N)CC[NH+](C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258419348 1039361681 /nfs/dbraw/zinc/36/16/81/1039361681.db2.gz YQVYFPKCTWJTGN-UHFFFAOYSA-N 1 3 363.477 2.541 20 0 FFADHO COC(=O)c1ccccc1CC[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246479050 1039366122 /nfs/dbraw/zinc/36/61/22/1039366122.db2.gz QORVXSQXYUSTMM-WOJBJXKFSA-N 1 3 352.478 2.969 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1[C@H]1CCc3ccc(C)cc3C1)CC[NH2+]CC2 ZINC001246611564 1039414390 /nfs/dbraw/zinc/41/43/90/1039414390.db2.gz UOERLEHTAQZBBU-PMACEKPBSA-N 1 3 356.510 2.860 20 0 FFADHO CC(C)N1CCN(CC[NH2+]C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258537677 1039421891 /nfs/dbraw/zinc/42/18/91/1039421891.db2.gz UWXIKIKSZVLKQA-UHFFFAOYSA-N 1 3 364.965 2.924 20 0 FFADHO Clc1ccccc1N1CCC(N2CC[NH2+]C[C@@]3(CCCCN3)C2)CC1 ZINC001246633621 1039424514 /nfs/dbraw/zinc/42/45/14/1039424514.db2.gz OPAULWYNKFNPNA-FQEVSTJZSA-N 1 3 362.949 2.726 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)[C@@H]2CC[C@H](C)[NH2+]C2)c2c1CNCC2 ZINC001246705236 1039443910 /nfs/dbraw/zinc/44/39/10/1039443910.db2.gz OIVVOGFUGOPMLB-LSDHHAIUSA-N 1 3 374.558 2.713 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CC[NH+]([C@@H]3CCN[C@@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738720 1039455934 /nfs/dbraw/zinc/45/59/34/1039455934.db2.gz CHDMKWYFGPNOBJ-SQGPQFPESA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738720 1039455938 /nfs/dbraw/zinc/45/59/38/1039455938.db2.gz CHDMKWYFGPNOBJ-SQGPQFPESA-N 1 3 370.541 2.843 20 0 FFADHO c1nc(CNC2CCCC2)c2n1CCCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246772511 1039474545 /nfs/dbraw/zinc/47/45/45/1039474545.db2.gz PJWDXFWPQFPIRS-BWTSREIZSA-N 1 3 357.546 2.794 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)CC1 ZINC001258773038 1039506784 /nfs/dbraw/zinc/50/67/84/1039506784.db2.gz BPQINUXPRZFAFX-FQEVSTJZSA-N 1 3 355.526 2.857 20 0 FFADHO CCC[NH+]1CCC(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)CC1 ZINC001258775031 1039510431 /nfs/dbraw/zinc/51/04/31/1039510431.db2.gz XMGJBWCKHDNWOC-PZJWPPBQSA-N 1 3 365.562 2.647 20 0 FFADHO c1ccc(-c2cccc(N3CC[NH+]([C@@H]4CCOC5(CNC5)C4)CC3)c2)cc1 ZINC001246894834 1039521764 /nfs/dbraw/zinc/52/17/64/1039521764.db2.gz AUSZFDDVKZCKRF-JOCHJYFZSA-N 1 3 363.505 2.997 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C ZINC001210497169 1039583741 /nfs/dbraw/zinc/58/37/41/1039583741.db2.gz APEBIVQRVSBSTE-UYAOXDASSA-N 1 3 367.578 2.894 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C ZINC001210497169 1039583762 /nfs/dbraw/zinc/58/37/62/1039583762.db2.gz APEBIVQRVSBSTE-UYAOXDASSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001252536820 1039589369 /nfs/dbraw/zinc/58/93/69/1039589369.db2.gz ZEGGWXICQZEHMS-IBGZPJMESA-N 1 3 352.494 2.805 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2OC)CC1 ZINC001252890283 1039762996 /nfs/dbraw/zinc/76/29/96/1039762996.db2.gz NHKIRVHCBIPMSS-GOSISDBHSA-N 1 3 350.503 2.631 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2OC)CC1 ZINC001252890283 1039763008 /nfs/dbraw/zinc/76/30/08/1039763008.db2.gz NHKIRVHCBIPMSS-GOSISDBHSA-N 1 3 350.503 2.631 20 0 FFADHO COc1cccnc1C(C)(C)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252949985 1039860995 /nfs/dbraw/zinc/86/09/95/1039860995.db2.gz AIPJPEVEXHNXQM-JOCHJYFZSA-N 1 3 369.509 2.594 20 0 FFADHO COc1cccnc1C(C)(C)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949985 1039861023 /nfs/dbraw/zinc/86/10/23/1039861023.db2.gz AIPJPEVEXHNXQM-JOCHJYFZSA-N 1 3 369.509 2.594 20 0 FFADHO c1ccc([C@@H]2C[NH2+]CC[C@H]2c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001247902685 1040032548 /nfs/dbraw/zinc/03/25/48/1040032548.db2.gz USOCPPPMHJWNBB-SJORKVTESA-N 1 3 361.449 2.638 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253636141 1040272112 /nfs/dbraw/zinc/27/21/12/1040272112.db2.gz LHZIVZZZISQWCF-ONTIZHBOSA-N 1 3 374.525 2.820 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253636141 1040272122 /nfs/dbraw/zinc/27/21/22/1040272122.db2.gz LHZIVZZZISQWCF-ONTIZHBOSA-N 1 3 374.525 2.820 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001253687066 1040319686 /nfs/dbraw/zinc/31/96/86/1040319686.db2.gz SDTGPJDVMWHGRA-SLFFLAALSA-N 1 3 374.525 2.533 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001253687066 1040319702 /nfs/dbraw/zinc/31/97/02/1040319702.db2.gz SDTGPJDVMWHGRA-SLFFLAALSA-N 1 3 374.525 2.533 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001253687065 1040319794 /nfs/dbraw/zinc/31/97/94/1040319794.db2.gz SDTGPJDVMWHGRA-HSALFYBXSA-N 1 3 374.525 2.533 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001253687065 1040319808 /nfs/dbraw/zinc/31/98/08/1040319808.db2.gz SDTGPJDVMWHGRA-HSALFYBXSA-N 1 3 374.525 2.533 20 0 FFADHO Cn1c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cccc1=O ZINC001248810183 1040444154 /nfs/dbraw/zinc/44/41/54/1040444154.db2.gz BPOFUYQYQIMFTD-PMACEKPBSA-N 1 3 351.494 2.729 20 0 FFADHO Cn1c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cccc1=O ZINC001248810183 1040444168 /nfs/dbraw/zinc/44/41/68/1040444168.db2.gz BPOFUYQYQIMFTD-PMACEKPBSA-N 1 3 351.494 2.729 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001253945727 1040466206 /nfs/dbraw/zinc/46/62/06/1040466206.db2.gz CGQODDFZYCXHDC-SFTDATJTSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001253945727 1040466214 /nfs/dbraw/zinc/46/62/14/1040466214.db2.gz CGQODDFZYCXHDC-SFTDATJTSA-N 1 3 370.541 2.919 20 0 FFADHO OC1(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037494 1040537925 /nfs/dbraw/zinc/53/79/25/1040537925.db2.gz VLTPGJPKQRINGF-HDICACEKSA-N 1 3 350.453 2.991 20 0 FFADHO OC1(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037494 1040537941 /nfs/dbraw/zinc/53/79/41/1040537941.db2.gz VLTPGJPKQRINGF-HDICACEKSA-N 1 3 350.453 2.991 20 0 FFADHO OC[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001254051070 1040551577 /nfs/dbraw/zinc/55/15/77/1040551577.db2.gz VTVSDBVPMBFEBC-HXUWFJFHSA-N 1 3 374.912 2.990 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1OC)C(C)C ZINC001213592638 1040698947 /nfs/dbraw/zinc/69/89/47/1040698947.db2.gz CFCUQGVCHOCZGF-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CC(=O)N1CCC([NH+]2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)CC1 ZINC001254425196 1040713961 /nfs/dbraw/zinc/71/39/61/1040713961.db2.gz GHDCZEIPVDSNPB-UHFFFAOYSA-N 1 3 370.541 2.769 20 0 FFADHO C[NH+](C)CCOc1cc(F)ccc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249569911 1040874867 /nfs/dbraw/zinc/87/48/67/1040874867.db2.gz WSZAODFSONIQNB-GOSISDBHSA-N 1 3 363.477 2.947 20 0 FFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1CCOCC1)CC2 ZINC001255040057 1041116993 /nfs/dbraw/zinc/11/69/93/1041116993.db2.gz HCJPOLTVWNIFTA-QGZVFWFLSA-N 1 3 350.528 2.982 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@H](N4CCOCC4)C2)C3)cc1 ZINC001255143345 1041168931 /nfs/dbraw/zinc/16/89/31/1041168931.db2.gz KOBQFHTYILNNOH-LNRXMEIDSA-N 1 3 355.526 2.589 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@H](N4CCOCC4)C2)C3)cc1 ZINC001255143345 1041168935 /nfs/dbraw/zinc/16/89/35/1041168935.db2.gz KOBQFHTYILNNOH-LNRXMEIDSA-N 1 3 355.526 2.589 20 0 FFADHO CCN1CCO[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255144173 1041170704 /nfs/dbraw/zinc/17/07/04/1041170704.db2.gz QXERDSHQWJYZHQ-USWKJHDZSA-N 1 3 369.553 2.835 20 0 FFADHO CCN1CCO[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255144173 1041170714 /nfs/dbraw/zinc/17/07/14/1041170714.db2.gz QXERDSHQWJYZHQ-USWKJHDZSA-N 1 3 369.553 2.835 20 0 FFADHO CCN(CCN1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148618 1041171933 /nfs/dbraw/zinc/17/19/33/1041171933.db2.gz XRHSRXZTRCTORL-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO CCN(CCN1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148618 1041171940 /nfs/dbraw/zinc/17/19/40/1041171940.db2.gz XRHSRXZTRCTORL-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC001261423191 1041227293 /nfs/dbraw/zinc/22/72/93/1041227293.db2.gz QXYRJGPAVDLALB-DJIMGWMZSA-N 1 3 369.431 2.946 20 0 FFADHO c1ccc(CN2CCC[C@@H]([N@@H+]3CC[C@@H](Oc4ncccn4)C3)CC2)cc1 ZINC001255410423 1041328960 /nfs/dbraw/zinc/32/89/60/1041328960.db2.gz WTRWZNGCHGSJPE-WOJBJXKFSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@@H]([N@H+]3CC[C@@H](Oc4ncccn4)C3)CC2)cc1 ZINC001255410423 1041328973 /nfs/dbraw/zinc/32/89/73/1041328973.db2.gz WTRWZNGCHGSJPE-WOJBJXKFSA-N 1 3 352.482 2.984 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc(F)c1 ZINC001250807895 1041377346 /nfs/dbraw/zinc/37/73/46/1041377346.db2.gz HMCIZCRQZQSJEZ-OTWHNJEPSA-N 1 3 350.478 2.904 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc(F)c1 ZINC001250807895 1041377352 /nfs/dbraw/zinc/37/73/52/1041377352.db2.gz HMCIZCRQZQSJEZ-OTWHNJEPSA-N 1 3 350.478 2.904 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1cc2ccccc2o1 ZINC001215414008 1041774632 /nfs/dbraw/zinc/77/46/32/1041774632.db2.gz OLPFVHNUZFBDPR-CRAIPNDOSA-N 1 3 355.482 2.711 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001215973194 1041920209 /nfs/dbraw/zinc/92/02/09/1041920209.db2.gz XGXBPFGMAZWTND-HUUCEWRRSA-N 1 3 351.457 2.887 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2c(C)noc2C)C1)C(C)C ZINC001215977190 1041922404 /nfs/dbraw/zinc/92/24/04/1041922404.db2.gz JNTZIRLTCRZNNV-ZMYBRWDISA-N 1 3 364.534 2.594 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001215998954 1041927677 /nfs/dbraw/zinc/92/76/77/1041927677.db2.gz JDRJLOACIHOHBI-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2OC)C1 ZINC001216001772 1041929049 /nfs/dbraw/zinc/92/90/49/1041929049.db2.gz JOKNPNQBWFIZKX-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CSCC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001263167506 1042145428 /nfs/dbraw/zinc/14/54/28/1042145428.db2.gz MQOZRIFCZNCAFP-KGLIPLIRSA-N 1 3 364.342 2.793 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001263648189 1042418338 /nfs/dbraw/zinc/41/83/38/1042418338.db2.gz KTEYRNOGFLCSTN-WOJBJXKFSA-N 1 3 371.529 2.577 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001263648189 1042418342 /nfs/dbraw/zinc/41/83/42/1042418342.db2.gz KTEYRNOGFLCSTN-WOJBJXKFSA-N 1 3 371.529 2.577 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)C[N@@H+]2C1 ZINC001263860664 1042498908 /nfs/dbraw/zinc/49/89/08/1042498908.db2.gz BWUVIFDVASDPBV-JRGCBEDISA-N 1 3 370.541 2.530 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)C[N@H+]2C1 ZINC001263860664 1042498912 /nfs/dbraw/zinc/49/89/12/1042498912.db2.gz BWUVIFDVASDPBV-JRGCBEDISA-N 1 3 370.541 2.530 20 0 FFADHO Cc1cccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001263914322 1042528986 /nfs/dbraw/zinc/52/89/86/1042528986.db2.gz YMGNUJIXDMAZRX-ZWKOTPCHSA-N 1 3 358.530 2.639 20 0 FFADHO CC(C)OCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C(C)C ZINC001263988101 1042566369 /nfs/dbraw/zinc/56/63/69/1042566369.db2.gz FRVHZJXENLCGPV-HSALFYBXSA-N 1 3 367.578 2.891 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOc1ccccc1)N(C)C ZINC001264002109 1042575555 /nfs/dbraw/zinc/57/55/55/1042575555.db2.gz WCISPUJOCKRLQG-HBFSDRIKSA-N 1 3 361.530 2.622 20 0 FFADHO CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1ccccn1)N(C)C ZINC001264023002 1042587461 /nfs/dbraw/zinc/58/74/61/1042587461.db2.gz ZGOFXPRAUCCKGQ-MISYRCLQSA-N 1 3 360.546 2.919 20 0 FFADHO COc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(C(F)(F)F)c1 ZINC001279156623 1042924096 /nfs/dbraw/zinc/92/40/96/1042924096.db2.gz ZTBPXATYWUQTLW-ROUUACIJSA-N 1 3 371.447 2.924 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2ccc(C)nc2)CC3)n(C)n1 ZINC001279160635 1042925811 /nfs/dbraw/zinc/92/58/11/1042925811.db2.gz AGQBGYIIUGEZBV-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1c[nH]c3cccc(O)c13)C2 ZINC001279241078 1042962375 /nfs/dbraw/zinc/96/23/75/1042962375.db2.gz AHWXVBUFVXKDEK-NRFANRHFSA-N 1 3 356.514 2.723 20 0 FFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1c[nH]c3cccc(O)c13)C2 ZINC001279241078 1042962378 /nfs/dbraw/zinc/96/23/78/1042962378.db2.gz AHWXVBUFVXKDEK-NRFANRHFSA-N 1 3 356.514 2.723 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3c[nH]c4cccnc34)CC2)C1 ZINC001279269405 1042975812 /nfs/dbraw/zinc/97/58/12/1042975812.db2.gz CCANPFCLMSVEII-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3c[nH]c4cccnc34)CC2)C1 ZINC001279269405 1042975814 /nfs/dbraw/zinc/97/58/14/1042975814.db2.gz CCANPFCLMSVEII-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO Cc1nn(C)cc1CN1CCC2(CC[N@H+](Cc3scnc3C)C2)CC1 ZINC001279354774 1043022858 /nfs/dbraw/zinc/02/28/58/1043022858.db2.gz GOEKZUGJVAHUMR-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Cc1nn(C)cc1CN1CCC2(CC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001279354774 1043022861 /nfs/dbraw/zinc/02/28/61/1043022861.db2.gz GOEKZUGJVAHUMR-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(F)c4cccnc34)CC2)CC1 ZINC001237428541 1043153014 /nfs/dbraw/zinc/15/30/14/1043153014.db2.gz JJIUDZBCPAUXKZ-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2c(Cl)[nH]c3ccccc32)CCC12C[NH2+]C2 ZINC001237432502 1043158344 /nfs/dbraw/zinc/15/83/44/1043158344.db2.gz YOUPLTVXBHWUQU-HNNXBMFYSA-N 1 3 361.873 2.796 20 0 FFADHO CC[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C=CCC=C2C)CC1 ZINC001279498387 1043189471 /nfs/dbraw/zinc/18/94/71/1043189471.db2.gz GIFLGLNUSKLLFU-QHAWAJNXSA-N 1 3 357.542 2.916 20 0 FFADHO CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278105871 1043206838 /nfs/dbraw/zinc/20/68/38/1043206838.db2.gz YEZAVIKYWOJAKQ-QRQLOZEOSA-N 1 3 362.518 2.533 20 0 FFADHO CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278105871 1043206843 /nfs/dbraw/zinc/20/68/43/1043206843.db2.gz YEZAVIKYWOJAKQ-QRQLOZEOSA-N 1 3 362.518 2.533 20 0 FFADHO COc1ccc(F)cc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279551372 1043247646 /nfs/dbraw/zinc/24/76/46/1043247646.db2.gz GBBSDUNGVUADAU-UHFFFAOYSA-N 1 3 358.461 2.629 20 0 FFADHO Cc1c2ccccc2sc1CN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001279569797 1043271178 /nfs/dbraw/zinc/27/11/78/1043271178.db2.gz KKFVVGLLMSWTEC-ROUUACIJSA-N 1 3 359.539 2.656 20 0 FFADHO CSc1cc(C)c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001279593139 1043308731 /nfs/dbraw/zinc/30/87/31/1043308731.db2.gz ZCNPPOYQSOBFMU-UHFFFAOYSA-N 1 3 362.587 2.961 20 0 FFADHO CSc1cc(C)c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001279593139 1043308740 /nfs/dbraw/zinc/30/87/40/1043308740.db2.gz ZCNPPOYQSOBFMU-UHFFFAOYSA-N 1 3 362.587 2.961 20 0 FFADHO C[NH+]1CCC(CCN2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)CC1 ZINC001279634962 1043374898 /nfs/dbraw/zinc/37/48/98/1043374898.db2.gz DEERPNXLEYALIK-UHFFFAOYSA-N 1 3 361.555 2.557 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1n[nH]c3cc(F)ccc31)C2 ZINC001279702029 1043494556 /nfs/dbraw/zinc/49/45/56/1043494556.db2.gz NCYPKYHRKPWGHH-FQEVSTJZSA-N 1 3 359.493 2.552 20 0 FFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1n[nH]c3cc(F)ccc31)C2 ZINC001279702029 1043494563 /nfs/dbraw/zinc/49/45/63/1043494563.db2.gz NCYPKYHRKPWGHH-FQEVSTJZSA-N 1 3 359.493 2.552 20 0 FFADHO CC(=O)OC(C)(C)CCC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278244313 1043754072 /nfs/dbraw/zinc/75/40/72/1043754072.db2.gz DCADTVVBEDSUSA-KDURUIRLSA-N 1 3 362.518 2.675 20 0 FFADHO CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278244313 1043754077 /nfs/dbraw/zinc/75/40/77/1043754077.db2.gz DCADTVVBEDSUSA-KDURUIRLSA-N 1 3 362.518 2.675 20 0 FFADHO CCCCCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)N(C)CC[NH+](CC)CC ZINC001279863646 1043792813 /nfs/dbraw/zinc/79/28/13/1043792813.db2.gz LDDUVJBRVMHCBL-NMLBUPMWSA-N 1 3 367.578 2.581 20 0 FFADHO Cc1noc2ccc(CN3CCC[C@]4(CC[N@@H+](CCN(C)C)C4)C3)cc12 ZINC001279864193 1043795412 /nfs/dbraw/zinc/79/54/12/1043795412.db2.gz RKKNADJKVMRECY-OAQYLSRUSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1noc2ccc(CN3CCC[C@]4(CC[N@H+](CCN(C)C)C4)C3)cc12 ZINC001279864193 1043795423 /nfs/dbraw/zinc/79/54/23/1043795423.db2.gz RKKNADJKVMRECY-OAQYLSRUSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)C2)cc1 ZINC001311879151 1043993987 /nfs/dbraw/zinc/99/39/87/1043993987.db2.gz XWQKVGFMBUVYON-XUVXKRRUSA-N 1 3 358.530 2.741 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1cccc(C)c1F)C2 ZINC001279971468 1044010097 /nfs/dbraw/zinc/01/00/97/1044010097.db2.gz AXHGYOSROSLBKS-WIYYLYMNSA-N 1 3 361.505 2.756 20 0 FFADHO c1cn(CC[NH+]2CC3(C2)CCN(Cc2cncc(C4CC4)c2)CC3)cn1 ZINC001280070984 1044169938 /nfs/dbraw/zinc/16/99/38/1044169938.db2.gz IDSPOBCSVWBDOG-UHFFFAOYSA-N 1 3 351.498 2.754 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312793706 1044170966 /nfs/dbraw/zinc/17/09/66/1044170966.db2.gz SIBLUDHRSJPNTB-QUCCMNQESA-N 1 3 360.546 2.989 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312793706 1044170969 /nfs/dbraw/zinc/17/09/69/1044170969.db2.gz SIBLUDHRSJPNTB-QUCCMNQESA-N 1 3 360.546 2.989 20 0 FFADHO CN1CCN(c2ccc(-c3cccc(CN4CC[C@H]([NH3+])C4)c3)cc2)CC1 ZINC001240855634 1044452483 /nfs/dbraw/zinc/45/24/83/1044452483.db2.gz ZSPGRZXIRFPOTO-NRFANRHFSA-N 1 3 350.510 2.638 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@@H]2C1 ZINC001316758973 1044919659 /nfs/dbraw/zinc/91/96/59/1044919659.db2.gz CANNNQQUMLNJRH-CVEARBPZSA-N 1 3 363.468 2.840 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCCCC(F)(F)F)CC[C@@H]2C1 ZINC001316758973 1044919667 /nfs/dbraw/zinc/91/96/67/1044919667.db2.gz CANNNQQUMLNJRH-CVEARBPZSA-N 1 3 363.468 2.840 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001316758937 1044920356 /nfs/dbraw/zinc/92/03/56/1044920356.db2.gz ATRNJGMYZQQDFF-MOPGFXCFSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001316758937 1044920368 /nfs/dbraw/zinc/92/03/68/1044920368.db2.gz ATRNJGMYZQQDFF-MOPGFXCFSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(Cl)cc2C)CC[N@@H+]1C ZINC001317445631 1045090595 /nfs/dbraw/zinc/09/05/95/1045090595.db2.gz DPRJTOVHTBPASU-ZWKOTPCHSA-N 1 3 351.922 2.927 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(Cl)cc2C)CC[N@H+]1C ZINC001317445631 1045090608 /nfs/dbraw/zinc/09/06/08/1045090608.db2.gz DPRJTOVHTBPASU-ZWKOTPCHSA-N 1 3 351.922 2.927 20 0 FFADHO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001321436071 1045663374 /nfs/dbraw/zinc/66/33/74/1045663374.db2.gz BSQIPAUCABRZTM-HSZRJFAPSA-N 1 3 367.537 2.781 20 0 FFADHO C[S@@](=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC001327253726 1047259453 /nfs/dbraw/zinc/25/94/53/1047259453.db2.gz HOBLVKSQAZVELY-RUZDIDTESA-N 1 3 357.523 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327479523 1047916793 /nfs/dbraw/zinc/91/67/93/1047916793.db2.gz HGYRIJIVPRKAFN-AZUAARDMSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)CC1 ZINC001333384356 1048872768 /nfs/dbraw/zinc/87/27/68/1048872768.db2.gz GQAUWMRPDPMUMU-UHFFFAOYSA-N 1 3 373.932 2.942 20 0 FFADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)Cc1ccccc1 ZINC001333664777 1049039979 /nfs/dbraw/zinc/03/99/79/1049039979.db2.gz AKZLPANBPVLHIE-TUFLPTIASA-N 1 3 372.557 2.531 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCCC(F)(F)F)CC2(C)C)CC[N@@H+]1C ZINC001330201174 1049080118 /nfs/dbraw/zinc/08/01/18/1049080118.db2.gz DVAQPULNALXKLM-RBSFLKMASA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCCC(F)(F)F)CC2(C)C)CC[N@H+]1C ZINC001330201174 1049080131 /nfs/dbraw/zinc/08/01/31/1049080131.db2.gz DVAQPULNALXKLM-RBSFLKMASA-N 1 3 363.468 2.886 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001295994045 1050009806 /nfs/dbraw/zinc/00/98/06/1050009806.db2.gz GDOLCMKGKJKMAY-ZACQAIPSSA-N 1 3 362.566 2.805 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)c1csc([C@H](C)N)n1)N1CCCC1 ZINC001341629723 1050256405 /nfs/dbraw/zinc/25/64/05/1050256405.db2.gz JFVSHLHQRBXILI-XJKSGUPXSA-N 1 3 374.510 2.738 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)c1csc([C@H](C)N)n1)[NH+]1CCCC1 ZINC001341629723 1050256421 /nfs/dbraw/zinc/25/64/21/1050256421.db2.gz JFVSHLHQRBXILI-XJKSGUPXSA-N 1 3 374.510 2.738 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)c2)CC1 ZINC001341803520 1050415823 /nfs/dbraw/zinc/41/58/23/1050415823.db2.gz XOPLUPGSLVPIQJ-NJDAHSKKSA-N 1 3 357.542 2.727 20 0 FFADHO C[C@@H]([NH3+])C1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CCOCC1 ZINC001340056618 1050465964 /nfs/dbraw/zinc/46/59/64/1050465964.db2.gz MUDNXPIFQIVCIQ-QUCCMNQESA-N 1 3 373.541 2.720 20 0 FFADHO CSCC[C@H](N)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001342110060 1050705615 /nfs/dbraw/zinc/70/56/15/1050705615.db2.gz FLRBUTKCGKLNPM-SFHVURJKSA-N 1 3 361.555 2.681 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(s1)CNCC2 ZINC001342349880 1050945286 /nfs/dbraw/zinc/94/52/86/1050945286.db2.gz QNZNCKBAFJYFGT-MRXNPFEDSA-N 1 3 355.507 2.646 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(s1)CNCC2 ZINC001342349880 1050945293 /nfs/dbraw/zinc/94/52/93/1050945293.db2.gz QNZNCKBAFJYFGT-MRXNPFEDSA-N 1 3 355.507 2.646 20 0 FFADHO CC(C)c1nnc(N2CCN(CC3CC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001302693920 1051173727 /nfs/dbraw/zinc/17/37/27/1051173727.db2.gz ZIIVORKQGJXLBQ-UHFFFAOYSA-N 1 3 362.566 2.521 20 0 FFADHO CC1CCC(N2CCN(C(=O)C3(C(F)(F)F)CC[NH2+]CC3)CC2)CC1 ZINC001340872132 1051204766 /nfs/dbraw/zinc/20/47/66/1051204766.db2.gz JSOHVXTZIUHMIT-UHFFFAOYSA-N 1 3 361.452 2.641 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC[N@@H+]1CCOCC1CCC1 ZINC001316734463 1051677027 /nfs/dbraw/zinc/67/70/27/1051677027.db2.gz MWYFMKPTIOVLOH-ZCNNSNEGSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC[N@H+]1CCOCC1CCC1 ZINC001316734463 1051677032 /nfs/dbraw/zinc/67/70/32/1051677032.db2.gz MWYFMKPTIOVLOH-ZCNNSNEGSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CCN1Cc1cccc(OC)c1 ZINC001316736887 1051867197 /nfs/dbraw/zinc/86/71/97/1051867197.db2.gz CNNFYNZPQSVGCR-XUVXKRRUSA-N 1 3 361.530 2.751 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001343189931 1052043408 /nfs/dbraw/zinc/04/34/08/1052043408.db2.gz XGMZWVWSPSGVDS-BVOGOJNSSA-N 1 3 372.557 2.879 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)c1ccccc1F ZINC001542692149 1071282564 /nfs/dbraw/zinc/28/25/64/1071282564.db2.gz WTXBPZBWEUQOJT-OAHLLOKOSA-N 1 3 371.447 2.792 20 0 FFADHO CN(C(=O)CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC001307885912 1052361980 /nfs/dbraw/zinc/36/19/80/1052361980.db2.gz OJMDLJKGVKRAOS-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccccc3nc2OC)CC1 ZINC001308251221 1052437593 /nfs/dbraw/zinc/43/75/93/1052437593.db2.gz OOBNVOBGZBCFIM-KRWDZBQOSA-N 1 3 356.514 2.607 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC001308331668 1052447249 /nfs/dbraw/zinc/44/72/49/1052447249.db2.gz WECMVJDSIVNIQQ-FCHUYYIVSA-N 1 3 357.542 2.618 20 0 FFADHO CN(CCCNCc1c(F)cc(Br)cc1F)CC[NH+](C)C ZINC001308479791 1052459599 /nfs/dbraw/zinc/45/95/99/1052459599.db2.gz WEULWDXNESBPOM-UHFFFAOYSA-N 1 3 364.278 2.700 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001343892269 1052474071 /nfs/dbraw/zinc/47/40/71/1052474071.db2.gz NBJZBPOZFPDIRP-WMZOPIPTSA-N 1 3 373.545 2.793 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001343892269 1052474074 /nfs/dbraw/zinc/47/40/74/1052474074.db2.gz NBJZBPOZFPDIRP-WMZOPIPTSA-N 1 3 373.545 2.793 20 0 FFADHO C[NH2+]C[C@@H]1CCCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001346149597 1052769439 /nfs/dbraw/zinc/76/94/39/1052769439.db2.gz CCQNXTNUXWYPNP-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001346192116 1052784093 /nfs/dbraw/zinc/78/40/93/1052784093.db2.gz RGWZOFFOEUFGIG-HZPDHXFCSA-N 1 3 365.493 2.942 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001336715467 1054161349 /nfs/dbraw/zinc/16/13/49/1054161349.db2.gz MOFNSMNRYKWIJN-KVSKMBFKSA-N 1 3 362.543 2.716 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccsc1 ZINC001336748897 1054190791 /nfs/dbraw/zinc/19/07/91/1054190791.db2.gz JMFMQNIGIQAIMT-ZMSDIMECSA-N 1 3 352.548 2.757 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)N2CCCC2)cc1 ZINC001336785999 1054224638 /nfs/dbraw/zinc/22/46/38/1054224638.db2.gz XKDFYBRXHNBKFA-FPOVZHCZSA-N 1 3 356.514 2.669 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)CC2)CC1 ZINC001347832988 1054363406 /nfs/dbraw/zinc/36/34/06/1054363406.db2.gz LEQLPMOWBQKRBB-BPQIPLTHSA-N 1 3 369.500 2.733 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@](C)(c4ccccc4)CC3=O)C[C@@H]2C1 ZINC001337806185 1055028450 /nfs/dbraw/zinc/02/84/50/1055028450.db2.gz QTVGQYPZLXTWNE-MXKPZRPRSA-N 1 3 355.526 2.796 20 0 FFADHO [NH2+]=C(NC[C@H](O)c1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849058790 1055612096 /nfs/dbraw/zinc/61/20/96/1055612096.db2.gz SMABRCZQRBGJQD-FQEVSTJZSA-N 1 3 370.472 2.638 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(Oc2ccccc2)c1 ZINC000849063887 1055616750 /nfs/dbraw/zinc/61/67/50/1055616750.db2.gz SWUATECBTKRZKM-QGZVFWFLSA-N 1 3 353.470 2.972 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC[C@](C)(c4ccccc4)C3=O)C[C@@H]2C1 ZINC001352758628 1055771079 /nfs/dbraw/zinc/77/10/79/1055771079.db2.gz AOKAEGHBVWEDFR-BAYUQKDNSA-N 1 3 355.526 2.796 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC001357261323 1055847976 /nfs/dbraw/zinc/84/79/76/1055847976.db2.gz IUZXXHIDCDDUBA-BLIXFSHQSA-N 1 3 371.529 2.520 20 0 FFADHO CN(C)[C@H]1CCOc2c(NC(=S)NCC[NH+]3CCCCC3)cccc21 ZINC001200432625 1056679850 /nfs/dbraw/zinc/67/98/50/1056679850.db2.gz BTCMPVHUXSKJAH-KRWDZBQOSA-N 1 3 362.543 2.844 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNC/C(Cl)=C/Cl)C2)CC[N@@H+]1C ZINC001500348280 1058472320 /nfs/dbraw/zinc/47/23/20/1058472320.db2.gz XCSLNPLERIPTMC-RJSRPMINSA-N 1 3 362.345 2.864 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNC/C(Cl)=C/Cl)C2)CC[N@H+]1C ZINC001500348280 1058472332 /nfs/dbraw/zinc/47/23/32/1058472332.db2.gz XCSLNPLERIPTMC-RJSRPMINSA-N 1 3 362.345 2.864 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCCc3cc(CC[NH3+])ccc32)cc(Cl)n1 ZINC001514564664 1058986603 /nfs/dbraw/zinc/98/66/03/1058986603.db2.gz GAEOHTDFEQQQQV-QGZVFWFLSA-N 1 3 372.900 2.914 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001515827885 1059821450 /nfs/dbraw/zinc/82/14/50/1059821450.db2.gz OINXOOZYQQGERA-DLBZAZTESA-N 1 3 374.577 2.634 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001515827885 1059821473 /nfs/dbraw/zinc/82/14/73/1059821473.db2.gz OINXOOZYQQGERA-DLBZAZTESA-N 1 3 374.577 2.634 20 0 FFADHO C[C@H](CC(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21)C1CC[NH2+]CC1 ZINC001355233120 1060017867 /nfs/dbraw/zinc/01/78/67/1060017867.db2.gz RNDDTRRFVXMKDW-BHIYHBOVSA-N 1 3 371.525 2.521 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001547682929 1071989109 /nfs/dbraw/zinc/98/91/09/1071989109.db2.gz UZZSUKFVFWNEAJ-LJQANCHMSA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001547682929 1071989118 /nfs/dbraw/zinc/98/91/18/1071989118.db2.gz UZZSUKFVFWNEAJ-LJQANCHMSA-N 1 3 374.577 2.808 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC001478063115 1061890941 /nfs/dbraw/zinc/89/09/41/1061890941.db2.gz IFISZYORPFMNJJ-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC001478063115 1061890965 /nfs/dbraw/zinc/89/09/65/1061890965.db2.gz IFISZYORPFMNJJ-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN1C ZINC001478285181 1061962079 /nfs/dbraw/zinc/96/20/79/1061962079.db2.gz UPKAVGGQCRZQDR-RSRIQPTJSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1C ZINC001478285181 1061962106 /nfs/dbraw/zinc/96/21/06/1061962106.db2.gz UPKAVGGQCRZQDR-RSRIQPTJSA-N 1 3 370.541 2.679 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001479453184 1062420613 /nfs/dbraw/zinc/42/06/13/1062420613.db2.gz AGEHVNLLIBHZED-ZWKOTPCHSA-N 1 3 359.514 2.554 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001479476605 1062451836 /nfs/dbraw/zinc/45/18/36/1062451836.db2.gz MFKXSPHYVZRPRL-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001479476605 1062451846 /nfs/dbraw/zinc/45/18/46/1062451846.db2.gz MFKXSPHYVZRPRL-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001479607441 1062623247 /nfs/dbraw/zinc/62/32/47/1062623247.db2.gz JDAOVYJGQVCXEU-QAPCUYQASA-N 1 3 352.498 2.848 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001470410726 1064327856 /nfs/dbraw/zinc/32/78/56/1064327856.db2.gz ZEAQXPSNRLRJFB-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001470410726 1064327861 /nfs/dbraw/zinc/32/78/61/1064327861.db2.gz ZEAQXPSNRLRJFB-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cccc(-c3cn[nH]n3)c2)CC1 ZINC001575985534 1078183966 /nfs/dbraw/zinc/18/39/66/1078183966.db2.gz DVADNEYJOCOMAU-UHFFFAOYSA-N 1 3 355.486 2.595 20 0 FFADHO C[C@](CO)(NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1cc(Cl)cc(Cl)c1 ZINC001576036358 1078189357 /nfs/dbraw/zinc/18/93/57/1078189357.db2.gz IMIAFVVWJGABEY-BBWFWOEESA-N 1 3 359.297 2.559 20 0 FFADHO COC(=O)c1ccccc1OCC[N@@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001473900408 1065413218 /nfs/dbraw/zinc/41/32/18/1065413218.db2.gz APRWAWXQFBZRNF-OYRHEFFESA-N 1 3 358.482 2.660 20 0 FFADHO COC(=O)c1ccccc1OCC[N@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001473900408 1065413224 /nfs/dbraw/zinc/41/32/24/1065413224.db2.gz APRWAWXQFBZRNF-OYRHEFFESA-N 1 3 358.482 2.660 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001474067673 1065449977 /nfs/dbraw/zinc/44/99/77/1065449977.db2.gz CLFZUEGTYYGQGD-WOJBJXKFSA-N 1 3 368.481 2.736 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2)nnc1N(C)CCC1CC1 ZINC001577535906 1078375105 /nfs/dbraw/zinc/37/51/05/1078375105.db2.gz KKGBUCCINOQVJX-ROUUACIJSA-N 1 3 360.550 2.813 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2)nnc1N(C)CCC1CC1 ZINC001577535906 1078375107 /nfs/dbraw/zinc/37/51/07/1078375107.db2.gz KKGBUCCINOQVJX-ROUUACIJSA-N 1 3 360.550 2.813 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC001578418294 1078471914 /nfs/dbraw/zinc/47/19/14/1078471914.db2.gz DYMBZLURLINSLN-GOSISDBHSA-N 1 3 355.482 2.862 20 0 FFADHO COC(=O)c1oc([C@H](C)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC001578887491 1078540098 /nfs/dbraw/zinc/54/00/98/1078540098.db2.gz BCJRRGAXEVBUPI-JLJPHGGASA-N 1 3 350.459 2.654 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CNCc2ccccc2CC(F)(F)F)cnn1C ZINC001579530575 1078639600 /nfs/dbraw/zinc/63/96/00/1078639600.db2.gz VVNWDKHJQDXYAO-AWEZNQCLSA-N 1 3 354.420 2.741 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CNCc2ccccc21)[NH+](C)C ZINC001579788401 1078682434 /nfs/dbraw/zinc/68/24/34/1078682434.db2.gz ONVJCZJUGVKWMS-DQLDELGASA-N 1 3 351.494 2.989 20 0 FFADHO Cn1ncc(C[NH3+])c1CN1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001580002156 1078730188 /nfs/dbraw/zinc/73/01/88/1078730188.db2.gz HVGKGOFBTDRGSQ-INIZCTEOSA-N 1 3 350.470 2.649 20 0 FFADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C12CCOCC2 ZINC001580164718 1078758764 /nfs/dbraw/zinc/75/87/64/1078758764.db2.gz RJMFQQWWIZIUFY-XKQJLSEDSA-N 1 3 353.869 2.544 20 0 FFADHO c1ccc([C@@H]2CC[NH2+]C[C@@H]2NC2CCN(Cc3ccccn3)CC2)cc1 ZINC001549338584 1073754268 /nfs/dbraw/zinc/75/42/68/1073754268.db2.gz YXTVDVLAAYAOCC-VXKWHMMOSA-N 1 3 350.510 2.781 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]([NH3+])[C@@H](c3ccccc3F)C2)c1 ZINC001549521520 1073897607 /nfs/dbraw/zinc/89/76/07/1073897607.db2.gz AKQYXNRQWFJKJF-IEBWSBKVSA-N 1 3 356.445 2.846 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccccc3F)C[N@@H+]2C1 ZINC001583558534 1079232574 /nfs/dbraw/zinc/23/25/74/1079232574.db2.gz KSIGEJCXYULINM-NZSAHSFTSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccccc3F)C[N@H+]2C1 ZINC001583558534 1079232580 /nfs/dbraw/zinc/23/25/80/1079232580.db2.gz KSIGEJCXYULINM-NZSAHSFTSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550288079 1074199708 /nfs/dbraw/zinc/19/97/08/1074199708.db2.gz OZVMRUVELSJBIY-DSLRARGZSA-N 1 3 356.514 2.652 20 0 FFADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(F)cc1C ZINC001550422224 1074259295 /nfs/dbraw/zinc/25/92/95/1074259295.db2.gz QAGPTUURVRZYKG-UMGGQSCQSA-N 1 3 350.478 2.712 20 0 FFADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(F)cc1C ZINC001550422224 1074259302 /nfs/dbraw/zinc/25/93/02/1074259302.db2.gz QAGPTUURVRZYKG-UMGGQSCQSA-N 1 3 350.478 2.712 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccc(F)cc3)C[N@@H+]2C1 ZINC001584084522 1079304383 /nfs/dbraw/zinc/30/43/83/1079304383.db2.gz OCZLLQAVYUTGFE-IMFGXOCKSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccc(F)cc3)C[N@H+]2C1 ZINC001584084522 1079304390 /nfs/dbraw/zinc/30/43/90/1079304390.db2.gz OCZLLQAVYUTGFE-IMFGXOCKSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@H](n2cncn2)C1 ZINC001551398473 1074716695 /nfs/dbraw/zinc/71/66/95/1074716695.db2.gz FFZIMBYLVWQCNA-YTENZGMBSA-N 1 3 361.534 2.631 20 0 FFADHO [NH3+][C@H]1CC12CCC(NC(=O)N[C@H](CN1CCCC1)c1ccccc1)CC2 ZINC001551551736 1074753848 /nfs/dbraw/zinc/75/38/48/1074753848.db2.gz FKGYALDTUJMVHF-LSNYBQGISA-N 1 3 356.514 2.783 20 0 FFADHO CCc1ccc(-c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no2)cc1 ZINC001584248589 1079327465 /nfs/dbraw/zinc/32/74/65/1079327465.db2.gz SAXYXLGDGIUAIP-INIZCTEOSA-N 1 3 372.513 2.906 20 0 FFADHO CCc1ccc(-c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no2)cc1 ZINC001584248589 1079327471 /nfs/dbraw/zinc/32/74/71/1079327471.db2.gz SAXYXLGDGIUAIP-INIZCTEOSA-N 1 3 372.513 2.906 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001552154902 1075004920 /nfs/dbraw/zinc/00/49/20/1075004920.db2.gz BLQNLGUXFBKLFS-QMMLZNLJSA-N 1 3 355.526 2.745 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC001552396563 1075072494 /nfs/dbraw/zinc/07/24/94/1075072494.db2.gz RBNZJCXGXGFPEJ-SLFFLAALSA-N 1 3 353.441 2.622 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]3C3CCCCC3)CC2)CC1 ZINC001553392393 1075298637 /nfs/dbraw/zinc/29/86/37/1075298637.db2.gz FWYRCWOENSWGSN-FQEVSTJZSA-N 1 3 362.562 2.909 20 0 FFADHO COC(=O)c1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)n(C)c1C ZINC001560313407 1076263157 /nfs/dbraw/zinc/26/31/57/1076263157.db2.gz XSJQPOKGVVFFQZ-UHFFFAOYSA-N 1 3 373.497 2.740 20 0 FFADHO CC[NH+](CC)CC[C@H](CO)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001560520693 1076277499 /nfs/dbraw/zinc/27/74/99/1076277499.db2.gz DZDHVBGLVNSCOJ-OFLPRAFFSA-N 1 3 357.539 2.505 20 0 FFADHO CC[NH+]1CCC(CN2CCN(Cc3cc(OC)cc(OC)c3)CC2)CC1 ZINC001560690001 1076291877 /nfs/dbraw/zinc/29/18/77/1076291877.db2.gz GJSVDBVJVMJGOS-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC001562593961 1076506433 /nfs/dbraw/zinc/50/64/33/1076506433.db2.gz XZRPLWQLIFVXFK-KBPBESRZSA-N 1 3 368.488 2.925 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC001562593961 1076506437 /nfs/dbraw/zinc/50/64/37/1076506437.db2.gz XZRPLWQLIFVXFK-KBPBESRZSA-N 1 3 368.488 2.925 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)Cc1ccccc1 ZINC001563634095 1076571750 /nfs/dbraw/zinc/57/17/50/1076571750.db2.gz MURRNUYSAWUFPH-GOSISDBHSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001563661689 1076573805 /nfs/dbraw/zinc/57/38/05/1076573805.db2.gz IMOHFAOGLDZKPB-CADBVGFASA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001563661689 1076573808 /nfs/dbraw/zinc/57/38/08/1076573808.db2.gz IMOHFAOGLDZKPB-CADBVGFASA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1)[NH+]1CCCCCC1 ZINC001565910081 1076795575 /nfs/dbraw/zinc/79/55/75/1076795575.db2.gz GCVNICULZWEFOB-IXDOHACOSA-N 1 3 364.559 2.782 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1scnc1C ZINC001565977209 1076823568 /nfs/dbraw/zinc/82/35/68/1076823568.db2.gz UBQSTFYJAXOBHU-WBVHZDCISA-N 1 3 366.575 2.900 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1scnc1C ZINC001565977209 1076823572 /nfs/dbraw/zinc/82/35/72/1076823572.db2.gz UBQSTFYJAXOBHU-WBVHZDCISA-N 1 3 366.575 2.900 20 0 FFADHO COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001566092924 1076898449 /nfs/dbraw/zinc/89/84/49/1076898449.db2.gz OLFDCUYYDGVRNG-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO COCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001566092924 1076898454 /nfs/dbraw/zinc/89/84/54/1076898454.db2.gz OLFDCUYYDGVRNG-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO CN(C)C[C@@H](NC(=O)c1cccc(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC001570001196 1077176461 /nfs/dbraw/zinc/17/64/61/1077176461.db2.gz ADRBOWBEKZUZGS-HXUWFJFHSA-N 1 3 357.473 2.963 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000409628869 512112190 /nfs/dbraw/zinc/11/21/90/512112190.db2.gz FVNHZCUNLIZUST-OAHLLOKOSA-N 1 3 372.504 2.670 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000273671054 255775740 /nfs/dbraw/zinc/77/57/40/255775740.db2.gz XUVJITDHHXFFGD-ZWKOTPCHSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)C(C)(C)C[NH+](C)C ZINC000093136025 250018780 /nfs/dbraw/zinc/01/87/80/250018780.db2.gz JWFSCWSRMXBEDT-INIZCTEOSA-N 1 3 361.534 2.574 20 0 FFADHO C[C@@H](C(=O)NCC(F)(F)F)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821230 250004814 /nfs/dbraw/zinc/00/48/14/250004814.db2.gz NQUPFZUQJOJLAT-AWEZNQCLSA-N 1 3 372.435 2.687 20 0 FFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)Cc1cccc(C(N)=O)c1 ZINC000092821645 250005675 /nfs/dbraw/zinc/00/56/75/250005675.db2.gz QOJRKFJHRUTKNS-UHFFFAOYSA-N 1 3 352.482 2.919 20 0 FFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)Cc1cccc(C(N)=O)c1 ZINC000092821645 250005678 /nfs/dbraw/zinc/00/56/78/250005678.db2.gz QOJRKFJHRUTKNS-UHFFFAOYSA-N 1 3 352.482 2.919 20 0 FFADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)[C@H](C)C1 ZINC000093639292 250039795 /nfs/dbraw/zinc/03/97/95/250039795.db2.gz XGPIHVQRTYFBEZ-XLIONFOSSA-N 1 3 373.541 2.754 20 0 FFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)[C@H](C)C1 ZINC000093639292 250039798 /nfs/dbraw/zinc/03/97/98/250039798.db2.gz XGPIHVQRTYFBEZ-XLIONFOSSA-N 1 3 373.541 2.754 20 0 FFADHO Cc1cc2ncc([C@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)c(C)n2n1 ZINC000093402765 250033768 /nfs/dbraw/zinc/03/37/68/250033768.db2.gz JZBQMKCMFRUMPE-BBWFWOEESA-N 1 3 359.518 2.886 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103320180 250146165 /nfs/dbraw/zinc/14/61/65/250146165.db2.gz YQPGPQVKRGNSFJ-UHFFFAOYSA-N 1 3 362.518 2.617 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000103594031 250159629 /nfs/dbraw/zinc/15/96/29/250159629.db2.gz NGEYHDVPUVXPIL-HXUWFJFHSA-N 1 3 358.530 2.807 20 0 FFADHO Cc1cccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108420829 250312805 /nfs/dbraw/zinc/31/28/05/250312805.db2.gz XBFUEHRVDURLSD-OAQYLSRUSA-N 1 3 351.494 2.982 20 0 FFADHO Cc1cccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108420829 250312809 /nfs/dbraw/zinc/31/28/09/250312809.db2.gz XBFUEHRVDURLSD-OAQYLSRUSA-N 1 3 351.494 2.982 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268825067 251394646 /nfs/dbraw/zinc/39/46/46/251394646.db2.gz PDCZZPXGQHKPRZ-IBGZPJMESA-N 1 3 355.530 2.941 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000272454232 252043234 /nfs/dbraw/zinc/04/32/34/252043234.db2.gz NCVHSOUCWVMXFQ-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000272696508 252106433 /nfs/dbraw/zinc/10/64/33/252106433.db2.gz XJVAGRAWIPAWRK-QGZVFWFLSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272579893 252072669 /nfs/dbraw/zinc/07/26/69/252072669.db2.gz UYXNQNRSFRZMBK-UKAVVXHISA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272579893 252072672 /nfs/dbraw/zinc/07/26/72/252072672.db2.gz UYXNQNRSFRZMBK-UKAVVXHISA-N 1 3 372.557 2.879 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCC2CCN(Cc3cccs3)CC2)CCC1 ZINC000275460272 256010692 /nfs/dbraw/zinc/01/06/92/256010692.db2.gz NGIISDFPDZGKBA-UHFFFAOYSA-N 1 3 364.559 2.744 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275556120 256023975 /nfs/dbraw/zinc/02/39/75/256023975.db2.gz AAGCQLBTKNLOCF-LJQANCHMSA-N 1 3 373.545 2.562 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275631383 256032947 /nfs/dbraw/zinc/03/29/47/256032947.db2.gz KTUDIJQMAYYUEN-UHFFFAOYSA-N 1 3 355.482 2.983 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000277161753 256167092 /nfs/dbraw/zinc/16/70/92/256167092.db2.gz FXRMKGRQKSHYNF-GOSISDBHSA-N 1 3 363.546 2.729 20 0 FFADHO C[C@H]1CN(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000277378133 256191166 /nfs/dbraw/zinc/19/11/66/256191166.db2.gz COJCFYNUKGNACI-SFHVURJKSA-N 1 3 359.514 2.513 20 0 FFADHO O[C@H](CNC1CC(c2cccc(Br)c2)C1)C[NH+]1CCCC1 ZINC000277679857 256225890 /nfs/dbraw/zinc/22/58/90/256225890.db2.gz VASPATXHAFZONY-BDVYOWHSSA-N 1 3 353.304 2.741 20 0 FFADHO COC[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000278938592 256364544 /nfs/dbraw/zinc/36/45/44/256364544.db2.gz YCVGWNLVWUPPER-VQTJNVASSA-N 1 3 350.478 2.616 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccco1 ZINC000286792019 257055417 /nfs/dbraw/zinc/05/54/17/257055417.db2.gz RYSDQNSLNUOVAQ-IRXDYDNUSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000288322181 257175505 /nfs/dbraw/zinc/17/55/05/257175505.db2.gz FNNFPOWHJRUIIN-OXQOHEQNSA-N 1 3 358.530 2.851 20 0 FFADHO COC(=O)CC[C@H](N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000288877535 257234329 /nfs/dbraw/zinc/23/43/29/257234329.db2.gz ZEPJSNWSQLCRIR-KRWDZBQOSA-N 1 3 361.486 2.670 20 0 FFADHO COC(=O)CC[C@H](N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000288877535 257234331 /nfs/dbraw/zinc/23/43/31/257234331.db2.gz ZEPJSNWSQLCRIR-KRWDZBQOSA-N 1 3 361.486 2.670 20 0 FFADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)sc2C1 ZINC000289619313 257290286 /nfs/dbraw/zinc/29/02/86/257290286.db2.gz BAFDTHXRJNQGGN-CVEARBPZSA-N 1 3 370.522 2.810 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289712034 257295063 /nfs/dbraw/zinc/29/50/63/257295063.db2.gz GTCYBFDJDIXQLV-UHFFFAOYSA-N 1 3 371.529 2.543 20 0 FFADHO Cc1nnc(CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000289880713 257304414 /nfs/dbraw/zinc/30/44/14/257304414.db2.gz PQXWUBUPDRUICD-UHFFFAOYSA-N 1 3 359.543 2.709 20 0 FFADHO CN1CCC(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290811363 257359121 /nfs/dbraw/zinc/35/91/21/257359121.db2.gz VWBUQWASAOMDMS-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290811363 257359122 /nfs/dbraw/zinc/35/91/22/257359122.db2.gz VWBUQWASAOMDMS-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C[C@@H](C)OC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000291332180 257398206 /nfs/dbraw/zinc/39/82/06/257398206.db2.gz VWWVWCDPRHGTJA-QZTJIDSGSA-N 1 3 361.530 2.513 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-c2cnco2)cc1 ZINC000299668268 258015048 /nfs/dbraw/zinc/01/50/48/258015048.db2.gz QHADCCOKTYLSPH-IBGZPJMESA-N 1 3 370.497 2.830 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-c2cnco2)cc1 ZINC000299668268 258015049 /nfs/dbraw/zinc/01/50/49/258015049.db2.gz QHADCCOKTYLSPH-IBGZPJMESA-N 1 3 370.497 2.830 20 0 FFADHO Cc1cc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc[nH+]1 ZINC000302575553 258106363 /nfs/dbraw/zinc/10/63/63/258106363.db2.gz QWANQJLUUQVXSV-IBGZPJMESA-N 1 3 351.498 2.824 20 0 FFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000302020001 258082050 /nfs/dbraw/zinc/08/20/50/258082050.db2.gz DSMVPMSMYGSWKP-HXUWFJFHSA-N 1 3 366.509 2.848 20 0 FFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000302020000 258082471 /nfs/dbraw/zinc/08/24/71/258082471.db2.gz DSMVPMSMYGSWKP-FQEVSTJZSA-N 1 3 366.509 2.848 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333168584 258253648 /nfs/dbraw/zinc/25/36/48/258253648.db2.gz HTCMGCUESKIMRC-RQSWOZRGSA-N 1 3 370.541 2.584 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065518735 506314412 /nfs/dbraw/zinc/31/44/12/506314412.db2.gz OFIXLOLCTWDJGW-FQEVSTJZSA-N 1 3 360.546 2.930 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)CC1 ZINC000375234010 512224294 /nfs/dbraw/zinc/22/42/94/512224294.db2.gz ONPKXJFVVJWDDB-UHFFFAOYSA-N 1 3 368.525 2.790 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066173615 506434758 /nfs/dbraw/zinc/43/47/58/506434758.db2.gz KGSLGCAQBPZREE-VQTJNVASSA-N 1 3 356.514 2.703 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000054510334 506570173 /nfs/dbraw/zinc/57/01/73/506570173.db2.gz HHOVEIMRWKYEIK-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000054510334 506570182 /nfs/dbraw/zinc/57/01/82/506570182.db2.gz HHOVEIMRWKYEIK-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CC(=O)N1CCC([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1 ZINC000007974951 506608485 /nfs/dbraw/zinc/60/84/85/506608485.db2.gz VPXRLPXJQQVTMM-LJQANCHMSA-N 1 3 357.498 2.575 20 0 FFADHO O=C(NCCN1CCCCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067005498 506723775 /nfs/dbraw/zinc/72/37/75/506723775.db2.gz GLRXOAFKAZTROI-FQEVSTJZSA-N 1 3 358.530 2.684 20 0 FFADHO O=C(NCCN1CCCCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067005498 506723780 /nfs/dbraw/zinc/72/37/80/506723780.db2.gz GLRXOAFKAZTROI-FQEVSTJZSA-N 1 3 358.530 2.684 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000067570943 506931723 /nfs/dbraw/zinc/93/17/23/506931723.db2.gz QPYACCAUPABWNQ-IBGZPJMESA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000067570943 506931732 /nfs/dbraw/zinc/93/17/32/506931732.db2.gz QPYACCAUPABWNQ-IBGZPJMESA-N 1 3 370.541 2.825 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(Cl)cc3)CC2)CC1 ZINC000050800032 507713419 /nfs/dbraw/zinc/71/34/19/507713419.db2.gz ZTWFOVSIECUCSP-UHFFFAOYSA-N 1 3 363.933 2.947 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](F)CC3CCCCC3)CC2)CC1 ZINC000373491062 512358131 /nfs/dbraw/zinc/35/81/31/512358131.db2.gz SWXFGWCGUNIJDT-IBGZPJMESA-N 1 3 353.526 2.970 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000078434794 507871025 /nfs/dbraw/zinc/87/10/25/507871025.db2.gz XYKWGMLMWQKCMP-FQEVSTJZSA-N 1 3 354.498 2.850 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000078511398 507878390 /nfs/dbraw/zinc/87/83/90/507878390.db2.gz JVHDXPUKSASIMF-QGZVFWFLSA-N 1 3 364.559 2.915 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000073038921 507887052 /nfs/dbraw/zinc/88/70/52/507887052.db2.gz SLEGLPACRYWQTJ-WMZOPIPTSA-N 1 3 358.530 2.843 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000078714969 507899831 /nfs/dbraw/zinc/89/98/31/507899831.db2.gz QRUJJFYBVNQNNG-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)cc2)CC1 ZINC000078714969 507899833 /nfs/dbraw/zinc/89/98/33/507899833.db2.gz QRUJJFYBVNQNNG-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000108552079 507903320 /nfs/dbraw/zinc/90/33/20/507903320.db2.gz OTTVDWCYXMSOSR-DOTOQJQBSA-N 1 3 352.548 2.772 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000108552079 507903322 /nfs/dbraw/zinc/90/33/22/507903322.db2.gz OTTVDWCYXMSOSR-DOTOQJQBSA-N 1 3 352.548 2.772 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000079098031 507933153 /nfs/dbraw/zinc/93/31/53/507933153.db2.gz MAYPHQYHUYRNBZ-UHFFFAOYSA-N 1 3 360.546 2.880 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000073620027 507938178 /nfs/dbraw/zinc/93/81/78/507938178.db2.gz MUKKETRVCGZSMO-HXUWFJFHSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000073620027 507938179 /nfs/dbraw/zinc/93/81/79/507938179.db2.gz MUKKETRVCGZSMO-HXUWFJFHSA-N 1 3 358.530 2.743 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073649205 507942919 /nfs/dbraw/zinc/94/29/19/507942919.db2.gz GNRQNDJKOGLJSC-IBGZPJMESA-N 1 3 358.530 2.987 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000079294824 507951187 /nfs/dbraw/zinc/95/11/87/507951187.db2.gz QPVWXLKMUSKPTQ-IBGZPJMESA-N 1 3 358.530 2.778 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(F)ccc1F ZINC000074105891 507987692 /nfs/dbraw/zinc/98/76/92/507987692.db2.gz IUJQMCJPILOANE-QGZVFWFLSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(F)ccc1F ZINC000074105891 507987694 /nfs/dbraw/zinc/98/76/94/507987694.db2.gz IUJQMCJPILOANE-QGZVFWFLSA-N 1 3 368.472 2.522 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000074225661 507999761 /nfs/dbraw/zinc/99/97/61/507999761.db2.gz YGJVFAFBAHUMMV-IBGZPJMESA-N 1 3 372.557 2.680 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000074299805 508008492 /nfs/dbraw/zinc/00/84/92/508008492.db2.gz QBFUVNVYZUTNHN-FXAWDEMLSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000074299805 508008494 /nfs/dbraw/zinc/00/84/94/508008494.db2.gz QBFUVNVYZUTNHN-FXAWDEMLSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000080218694 508053358 /nfs/dbraw/zinc/05/33/58/508053358.db2.gz YPLVPACBQLXGDE-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000074876055 508066954 /nfs/dbraw/zinc/06/69/54/508066954.db2.gz GEJTXLIFUUVJKM-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000074876055 508066955 /nfs/dbraw/zinc/06/69/55/508066955.db2.gz GEJTXLIFUUVJKM-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNCc1c(Cl)cccc1N1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000092389896 508067420 /nfs/dbraw/zinc/06/74/20/508067420.db2.gz DBCZCBRSFBHAHQ-HNNXBMFYSA-N 1 3 350.938 2.664 20 0 FFADHO C[C@@H](CNCc1c(Cl)cccc1N1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000092389896 508067424 /nfs/dbraw/zinc/06/74/24/508067424.db2.gz DBCZCBRSFBHAHQ-HNNXBMFYSA-N 1 3 350.938 2.664 20 0 FFADHO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000111491641 508104653 /nfs/dbraw/zinc/10/46/53/508104653.db2.gz HAZLNYSKRKUULP-IIBYNOLFSA-N 1 3 370.541 2.778 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000111509795 508105705 /nfs/dbraw/zinc/10/57/05/508105705.db2.gz AZQWWPWBDCYPBY-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO CC1CC[NH+](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000097361317 508223907 /nfs/dbraw/zinc/22/39/07/508223907.db2.gz MRXHSBWLHVTGLM-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000098034444 508232443 /nfs/dbraw/zinc/23/24/43/508232443.db2.gz APJAODAJQRIXOE-KZNAEPCWSA-N 1 3 360.546 2.914 20 0 FFADHO CCOc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000077202289 508286338 /nfs/dbraw/zinc/28/63/38/508286338.db2.gz IEXZHTIIIQSDAV-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO CCOc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000077202289 508286342 /nfs/dbraw/zinc/28/63/42/508286342.db2.gz IEXZHTIIIQSDAV-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000114017146 508290633 /nfs/dbraw/zinc/29/06/33/508290633.db2.gz OGBBHRYNWPPIMF-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000114017146 508290636 /nfs/dbraw/zinc/29/06/36/508290636.db2.gz OGBBHRYNWPPIMF-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000114502037 508323248 /nfs/dbraw/zinc/32/32/48/508323248.db2.gz HRIQTJJEYQYBEK-INIZCTEOSA-N 1 3 373.463 2.746 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000114834775 508352381 /nfs/dbraw/zinc/35/23/81/508352381.db2.gz PLNZSFMOSDHSNY-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000105112524 508361822 /nfs/dbraw/zinc/36/18/22/508361822.db2.gz NSCYOBFVKPDELQ-IBGZPJMESA-N 1 3 372.557 2.991 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000105112524 508361824 /nfs/dbraw/zinc/36/18/24/508361824.db2.gz NSCYOBFVKPDELQ-IBGZPJMESA-N 1 3 372.557 2.991 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077750899 508365714 /nfs/dbraw/zinc/36/57/14/508365714.db2.gz MCWNOBQDWJJWFZ-UXHICEINSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077750899 508365716 /nfs/dbraw/zinc/36/57/16/508365716.db2.gz MCWNOBQDWJJWFZ-UXHICEINSA-N 1 3 356.514 2.703 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C1CC1 ZINC000105270055 508367932 /nfs/dbraw/zinc/36/79/32/508367932.db2.gz PUTSXYCNLUYJRE-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077774635 508371321 /nfs/dbraw/zinc/37/13/21/508371321.db2.gz XPMNQBZQPVJNDR-UXHICEINSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077774635 508371322 /nfs/dbraw/zinc/37/13/22/508371322.db2.gz XPMNQBZQPVJNDR-UXHICEINSA-N 1 3 356.514 2.703 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000115645256 508421218 /nfs/dbraw/zinc/42/12/18/508421218.db2.gz UKDCMQFQVIKRLE-UHFFFAOYSA-N 1 3 350.551 2.765 20 0 FFADHO O=C(C[C@H]1CSCCN1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000133606442 508423630 /nfs/dbraw/zinc/42/36/30/508423630.db2.gz VNZXXTJWRRDALR-IBGZPJMESA-N 1 3 361.555 2.774 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000157040243 508514513 /nfs/dbraw/zinc/51/45/13/508514513.db2.gz ONZXJTPWQACJBY-NHCUHLMSSA-N 1 3 373.541 2.733 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000128299052 508574457 /nfs/dbraw/zinc/57/44/57/508574457.db2.gz AISJEYIMBKXRQS-ACBHZAAOSA-N 1 3 350.551 2.813 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000128532791 508607204 /nfs/dbraw/zinc/60/72/04/508607204.db2.gz RXLSQENJHUSHBR-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000128532791 508607210 /nfs/dbraw/zinc/60/72/10/508607210.db2.gz RXLSQENJHUSHBR-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO COCCN(C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000153767868 508645204 /nfs/dbraw/zinc/64/52/04/508645204.db2.gz MEVKMDKVLPOPHV-AWEZNQCLSA-N 1 3 351.882 2.540 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CCn2cccn2)CC1 ZINC000158654887 508735185 /nfs/dbraw/zinc/73/51/85/508735185.db2.gz FEEWZTWUWBZJMK-LJQANCHMSA-N 1 3 355.530 2.589 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154389505 508774823 /nfs/dbraw/zinc/77/48/23/508774823.db2.gz BPWRPVVYXFEWIZ-GOSISDBHSA-N 1 3 355.530 2.859 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154676716 508832074 /nfs/dbraw/zinc/83/20/74/508832074.db2.gz DPLGAOLEPDZXRI-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154676716 508832077 /nfs/dbraw/zinc/83/20/77/508832077.db2.gz DPLGAOLEPDZXRI-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000154711652 508839351 /nfs/dbraw/zinc/83/93/51/508839351.db2.gz ISLULEBWUAIUNP-NRFANRHFSA-N 1 3 373.541 2.788 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)N1CCOCC1 ZINC000120069913 508921299 /nfs/dbraw/zinc/92/12/99/508921299.db2.gz XGNCESFVKFKTRF-NQIIRXRSSA-N 1 3 363.546 2.634 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(F)cc3F)CC2)CC1 ZINC000120180880 508945003 /nfs/dbraw/zinc/94/50/03/508945003.db2.gz PULJAYZVQRSMGA-UHFFFAOYSA-N 1 3 365.468 2.572 20 0 FFADHO CN(c1ccccc1CN[C@@H]1CC(=O)N(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000151060257 508948652 /nfs/dbraw/zinc/94/86/52/508948652.db2.gz GJHBPXAQOIMSLW-GOSISDBHSA-N 1 3 372.557 2.706 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000125707771 509019684 /nfs/dbraw/zinc/01/96/84/509019684.db2.gz NWHDAAFUODQBHE-GDBMZVCRSA-N 1 3 359.436 2.914 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000155608609 509036626 /nfs/dbraw/zinc/03/66/26/509036626.db2.gz ZWZQKBDVWKJGMZ-GJZGRUSLSA-N 1 3 371.472 2.973 20 0 FFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000126032716 509056517 /nfs/dbraw/zinc/05/65/17/509056517.db2.gz MRQQAFBIFAURRG-MRXNPFEDSA-N 1 3 350.894 2.870 20 0 FFADHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCCO2 ZINC000132883466 509086845 /nfs/dbraw/zinc/08/68/45/509086845.db2.gz KWGJUPCVQCHKJU-LPHOPBHVSA-N 1 3 360.498 2.999 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000120937703 509092382 /nfs/dbraw/zinc/09/23/82/509092382.db2.gz NDNNLRDSDMMNNL-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000120937703 509092383 /nfs/dbraw/zinc/09/23/83/509092383.db2.gz NDNNLRDSDMMNNL-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO CN(C)CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCC1 ZINC000151856274 509097326 /nfs/dbraw/zinc/09/73/26/509097326.db2.gz XAWBWTRGKOAGMH-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO CCN1CC[C@@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000151907889 509108392 /nfs/dbraw/zinc/10/83/92/509108392.db2.gz BRHIFXUQQOFFCM-IFMALSPDSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000156078605 509123034 /nfs/dbraw/zinc/12/30/34/509123034.db2.gz VSEYMNOSLOHVDZ-URVUXULASA-N 1 3 358.574 2.907 20 0 FFADHO Brc1ccc(CN2CCN(CC3CC[NH2+]CC3)CC2)s1 ZINC000178977848 509210447 /nfs/dbraw/zinc/21/04/47/509210447.db2.gz CSXMANGKNPTWKY-UHFFFAOYSA-N 1 3 358.349 2.628 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195613993 509211919 /nfs/dbraw/zinc/21/19/19/509211919.db2.gz BMSLKRHKMWLZOR-KZNAEPCWSA-N 1 3 352.567 2.917 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248045142 509224870 /nfs/dbraw/zinc/22/48/70/509224870.db2.gz MRZQZKCAYNSBJU-SLFFLAALSA-N 1 3 358.530 2.948 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248045142 509224875 /nfs/dbraw/zinc/22/48/75/509224875.db2.gz MRZQZKCAYNSBJU-SLFFLAALSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCN(C)C1CC1 ZINC000185555624 509234533 /nfs/dbraw/zinc/23/45/33/509234533.db2.gz IXHHGBYDQOYNKH-ROUUACIJSA-N 1 3 372.557 2.879 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)[C@H]1c1ccccc1 ZINC000248132253 509243718 /nfs/dbraw/zinc/24/37/18/509243718.db2.gz WTCIZLYBVOYVLR-WOJBJXKFSA-N 1 3 370.497 2.798 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000191949695 509259493 /nfs/dbraw/zinc/25/94/93/509259493.db2.gz FQPKWDVDTNSBOG-UHFFFAOYSA-N 1 3 361.530 2.706 20 0 FFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(I)cc1 ZINC000219324142 509287139 /nfs/dbraw/zinc/28/71/39/509287139.db2.gz PTKZFAITBZTYHT-LBPRGKRZSA-N 1 3 362.255 2.520 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176044648 509292573 /nfs/dbraw/zinc/29/25/73/509292573.db2.gz IWVOEGAONWTEGN-NQIIRXRSSA-N 1 3 372.557 2.675 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000248403630 509299135 /nfs/dbraw/zinc/29/91/35/509299135.db2.gz OUTDTJSOILUXPG-JYAXBFRTSA-N 1 3 353.510 2.640 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248412012 509305855 /nfs/dbraw/zinc/30/58/55/509305855.db2.gz ZWNYNTWVHRBZRN-KURKYZTESA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248412012 509305859 /nfs/dbraw/zinc/30/58/59/509305859.db2.gz ZWNYNTWVHRBZRN-KURKYZTESA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755851 509339759 /nfs/dbraw/zinc/33/97/59/509339759.db2.gz VRACUBCARYHZJX-FCEWJHQRSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755851 509339765 /nfs/dbraw/zinc/33/97/65/509339765.db2.gz VRACUBCARYHZJX-FCEWJHQRSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185755851 509339772 /nfs/dbraw/zinc/33/97/72/509339772.db2.gz VRACUBCARYHZJX-FCEWJHQRSA-N 1 3 350.478 2.808 20 0 FFADHO CC1CCN([C@H](CNC(=O)N(C)CC[NH+](C)C)c2cccs2)CC1 ZINC000176150607 509349956 /nfs/dbraw/zinc/34/99/56/509349956.db2.gz GJGQLBOGYUGNBC-MRXNPFEDSA-N 1 3 352.548 2.724 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179276524 509352927 /nfs/dbraw/zinc/35/29/27/509352927.db2.gz MAOXBNHPAGQKOP-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](NC[C@@H](O)COCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248541469 509356579 /nfs/dbraw/zinc/35/65/79/509356579.db2.gz BOVGHAWNUYSVPJ-SQGPQFPESA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H](NC[C@@H](O)COCc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248541469 509356586 /nfs/dbraw/zinc/35/65/86/509356586.db2.gz BOVGHAWNUYSVPJ-SQGPQFPESA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000248541469 509356590 /nfs/dbraw/zinc/35/65/90/509356590.db2.gz BOVGHAWNUYSVPJ-SQGPQFPESA-N 1 3 364.505 2.946 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000189008001 509366142 /nfs/dbraw/zinc/36/61/42/509366142.db2.gz BDEMETSMOMSAAZ-UHFFFAOYSA-N 1 3 355.482 2.669 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000176223554 509387637 /nfs/dbraw/zinc/38/76/37/509387637.db2.gz NOQLNHMQALVMLD-AQNXPRMDSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000176278547 509418095 /nfs/dbraw/zinc/41/80/95/509418095.db2.gz YORJWGKITFRBTA-WOJBJXKFSA-N 1 3 355.526 2.808 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000267320611 509446699 /nfs/dbraw/zinc/44/66/99/509446699.db2.gz KDYFHCFVATUUIA-YFVAEKQCSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000267320611 509446705 /nfs/dbraw/zinc/44/67/05/509446705.db2.gz KDYFHCFVATUUIA-YFVAEKQCSA-N 1 3 370.541 2.681 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000179477500 509468124 /nfs/dbraw/zinc/46/81/24/509468124.db2.gz GHWNVIACZUULEA-RSPOEFSDSA-N 1 3 358.530 2.804 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000179477500 509468130 /nfs/dbraw/zinc/46/81/30/509468130.db2.gz GHWNVIACZUULEA-RSPOEFSDSA-N 1 3 358.530 2.804 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236661220 509474363 /nfs/dbraw/zinc/47/43/63/509474363.db2.gz VQFYIUIYNAKSLB-VXKWHMMOSA-N 1 3 365.521 2.928 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248795706 509487189 /nfs/dbraw/zinc/48/71/89/509487189.db2.gz YWIUJHGQPFHUDL-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248795706 509487195 /nfs/dbraw/zinc/48/71/95/509487195.db2.gz YWIUJHGQPFHUDL-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000248826221 509499386 /nfs/dbraw/zinc/49/93/86/509499386.db2.gz LYJDZWISRSIZBR-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)c1cccc(OC)c1 ZINC000236833566 509512604 /nfs/dbraw/zinc/51/26/04/509512604.db2.gz RKSMUKBNNPUMIF-RTWAWAEBSA-N 1 3 369.509 2.764 20 0 FFADHO CCc1cccc(CC)c1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182962378 509517798 /nfs/dbraw/zinc/51/77/98/509517798.db2.gz SHFWBCWMPLLNLQ-SFHVURJKSA-N 1 3 374.573 2.708 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)c(C)c2)CC1 ZINC000236868422 509520265 /nfs/dbraw/zinc/52/02/65/509520265.db2.gz JZIAMZVDKXLMND-QMMLZNLJSA-N 1 3 370.541 2.996 20 0 FFADHO CCOc1cccc(CNCCC[N@@H+]2CCCN(C)CC2)c1OC(F)F ZINC000236927087 509535827 /nfs/dbraw/zinc/53/58/27/509535827.db2.gz RZGXBRKBCPCVTQ-UHFFFAOYSA-N 1 3 371.472 2.804 20 0 FFADHO CCOc1cccc(CNCCC[N@H+]2CCCN(C)CC2)c1OC(F)F ZINC000236927087 509535836 /nfs/dbraw/zinc/53/58/36/509535836.db2.gz RZGXBRKBCPCVTQ-UHFFFAOYSA-N 1 3 371.472 2.804 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(OCCN(C)C)c1 ZINC000166514304 509609645 /nfs/dbraw/zinc/60/96/45/509609645.db2.gz DLVIABUYTHZYBD-IEBWSBKVSA-N 1 3 371.529 2.680 20 0 FFADHO FC(F)(F)CN1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000183160565 509633629 /nfs/dbraw/zinc/63/36/29/509633629.db2.gz FJVZSYUCMSQAFA-UHFFFAOYSA-N 1 3 356.436 2.914 20 0 FFADHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(-n2cnnn2)cc1 ZINC000183195650 509652533 /nfs/dbraw/zinc/65/25/33/509652533.db2.gz NXXJUYAQSNOJIL-JFIYKMOQSA-N 1 3 354.502 2.966 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000249431789 509679276 /nfs/dbraw/zinc/67/92/76/509679276.db2.gz JXPVVEZYTDYTLJ-MKXGPGLRSA-N 1 3 353.551 2.503 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237624223 509693513 /nfs/dbraw/zinc/69/35/13/509693513.db2.gz IRQBIKZEROUKCW-RTWAWAEBSA-N 1 3 351.494 2.991 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189710903 509714060 /nfs/dbraw/zinc/71/40/60/509714060.db2.gz POEWENMAOJISCO-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000249750553 509753479 /nfs/dbraw/zinc/75/34/79/509753479.db2.gz APJAODAJQRIXOE-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000249750553 509753483 /nfs/dbraw/zinc/75/34/83/509753483.db2.gz APJAODAJQRIXOE-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO O[C@@H](COc1ccc(Cl)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193081145 509770849 /nfs/dbraw/zinc/77/08/49/509770849.db2.gz WUNIIHJZKQVIEC-GOSISDBHSA-N 1 3 352.906 2.888 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000268140014 509776064 /nfs/dbraw/zinc/77/60/64/509776064.db2.gz QTAMOPNBAISQKP-OXJNMPFZSA-N 1 3 356.514 2.564 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000180160798 509785007 /nfs/dbraw/zinc/78/50/07/509785007.db2.gz WICKEVMULITIKK-HZPDHXFCSA-N 1 3 365.484 2.882 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000250067191 509786628 /nfs/dbraw/zinc/78/66/28/509786628.db2.gz NPCZKRKLNNTZGQ-UWWQBHOKSA-N 1 3 369.431 2.555 20 0 FFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000238023248 509801095 /nfs/dbraw/zinc/80/10/95/509801095.db2.gz ZHXOCTJJJBZHAN-OAQYLSRUSA-N 1 3 351.494 2.805 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180300511 509857457 /nfs/dbraw/zinc/85/74/57/509857457.db2.gz IXKTYBVWEKMRAE-FGTMMUONSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180300511 509857463 /nfs/dbraw/zinc/85/74/63/509857463.db2.gz IXKTYBVWEKMRAE-FGTMMUONSA-N 1 3 350.551 2.813 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000265097633 509860286 /nfs/dbraw/zinc/86/02/86/509860286.db2.gz SGJGYYDCXHDHJR-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000265097633 509860292 /nfs/dbraw/zinc/86/02/92/509860292.db2.gz SGJGYYDCXHDHJR-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958775 509875280 /nfs/dbraw/zinc/87/52/80/509875280.db2.gz PFRXOKVOPFVTEG-CEXWTWQISA-N 1 3 365.562 2.741 20 0 FFADHO Cc1nccn1CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268376616 509895298 /nfs/dbraw/zinc/89/52/98/509895298.db2.gz TWMFRSFECJADAS-UHFFFAOYSA-N 1 3 355.530 2.902 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186839809 509910059 /nfs/dbraw/zinc/91/00/59/509910059.db2.gz FUZCQAGALWRGOY-HKUYNNGSSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000174119144 509956427 /nfs/dbraw/zinc/95/64/27/509956427.db2.gz FTRMZYAMTRBWHT-UHFFFAOYSA-N 1 3 372.557 2.578 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nc(C)c(C)s1 ZINC000171165849 509982589 /nfs/dbraw/zinc/98/25/89/509982589.db2.gz MCZWOFXJJLMUGW-HNNXBMFYSA-N 1 3 353.536 2.640 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nc(C)c(C)s1 ZINC000171165849 509982596 /nfs/dbraw/zinc/98/25/96/509982596.db2.gz MCZWOFXJJLMUGW-HNNXBMFYSA-N 1 3 353.536 2.640 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000268526488 509990600 /nfs/dbraw/zinc/99/06/00/509990600.db2.gz HHAKCXLCESQYCJ-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000268526488 509990604 /nfs/dbraw/zinc/99/06/04/509990604.db2.gz HHAKCXLCESQYCJ-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261621391 510004431 /nfs/dbraw/zinc/00/44/31/510004431.db2.gz DKLLRKDJWQFEDO-BSIFCXSSSA-N 1 3 368.477 2.801 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187106495 510060764 /nfs/dbraw/zinc/06/07/64/510060764.db2.gz PBLGXSZUEACOIJ-INIZCTEOSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187106495 510060769 /nfs/dbraw/zinc/06/07/69/510060769.db2.gz PBLGXSZUEACOIJ-INIZCTEOSA-N 1 3 366.481 2.714 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000245656772 510065372 /nfs/dbraw/zinc/06/53/72/510065372.db2.gz OJXHTPULJBZLFR-PEVDHWGLSA-N 1 3 358.530 2.851 20 0 FFADHO CNC(=O)c1cccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000177499427 510097437 /nfs/dbraw/zinc/09/74/37/510097437.db2.gz HGOLSCCTDGPFMW-QZTJIDSGSA-N 1 3 373.541 2.758 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268863100 510107207 /nfs/dbraw/zinc/10/72/07/510107207.db2.gz ZJKDLUKLMQPTOS-FQEVSTJZSA-N 1 3 374.573 2.592 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cccc(-c2ccccn2)c1 ZINC000262007759 510146713 /nfs/dbraw/zinc/14/67/13/510146713.db2.gz LZAFYRADWSRYEI-LJQANCHMSA-N 1 3 352.482 2.568 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000262024819 510151051 /nfs/dbraw/zinc/15/10/51/510151051.db2.gz JCZUZCRUZDDSQR-LJQANCHMSA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000187257829 510153173 /nfs/dbraw/zinc/15/31/73/510153173.db2.gz JAJOWUCSGOCYQF-HXUWFJFHSA-N 1 3 360.546 2.784 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000193984583 510162169 /nfs/dbraw/zinc/16/21/69/510162169.db2.gz QZXULFMPSRCFSP-BHIFYINESA-N 1 3 369.553 2.871 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245840827 510163617 /nfs/dbraw/zinc/16/36/17/510163617.db2.gz JRTIMCCISHUGFA-QUCCMNQESA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245840827 510163621 /nfs/dbraw/zinc/16/36/21/510163621.db2.gz JRTIMCCISHUGFA-QUCCMNQESA-N 1 3 360.546 2.784 20 0 FFADHO Fc1ccccc1COc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262101101 510177447 /nfs/dbraw/zinc/17/74/47/510177447.db2.gz IVBTYAAQFSWIJV-HXUWFJFHSA-N 1 3 369.484 2.884 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194015641 510177900 /nfs/dbraw/zinc/17/79/00/510177900.db2.gz YWIUJHGQPFHUDL-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194015641 510177907 /nfs/dbraw/zinc/17/79/07/510177907.db2.gz YWIUJHGQPFHUDL-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000245910368 510201372 /nfs/dbraw/zinc/20/13/72/510201372.db2.gz WAAQASJDEUSXIK-HSALFYBXSA-N 1 3 358.530 2.866 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000245910368 510201375 /nfs/dbraw/zinc/20/13/75/510201375.db2.gz WAAQASJDEUSXIK-HSALFYBXSA-N 1 3 358.530 2.866 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245919957 510207880 /nfs/dbraw/zinc/20/78/80/510207880.db2.gz ZXTYQPFWLPLSCA-IAGOWNOFSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000245919957 510207884 /nfs/dbraw/zinc/20/78/84/510207884.db2.gz ZXTYQPFWLPLSCA-IAGOWNOFSA-N 1 3 366.575 2.942 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000174624272 510213642 /nfs/dbraw/zinc/21/36/42/510213642.db2.gz CRQPGQMZTVOSRF-UHFFFAOYSA-N 1 3 372.557 2.883 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000245945267 510222438 /nfs/dbraw/zinc/22/24/38/510222438.db2.gz NTLWXQRZKOYRSD-ZWKOTPCHSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000245945267 510222442 /nfs/dbraw/zinc/22/24/42/510222442.db2.gz NTLWXQRZKOYRSD-ZWKOTPCHSA-N 1 3 373.545 2.638 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000180991936 510227691 /nfs/dbraw/zinc/22/76/91/510227691.db2.gz JOGUZMCOIVEQKJ-LJQANCHMSA-N 1 3 366.465 2.835 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000180991936 510227700 /nfs/dbraw/zinc/22/77/00/510227700.db2.gz JOGUZMCOIVEQKJ-LJQANCHMSA-N 1 3 366.465 2.835 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000269111536 510240663 /nfs/dbraw/zinc/24/06/63/510240663.db2.gz JRXJZGQVJVTNLN-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000269111536 510240672 /nfs/dbraw/zinc/24/06/72/510240672.db2.gz JRXJZGQVJVTNLN-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H](C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1C[NH2+]C1 ZINC000262374668 510259871 /nfs/dbraw/zinc/25/98/71/510259871.db2.gz MEOKXWJRGUNECA-GOSISDBHSA-N 1 3 355.526 2.889 20 0 FFADHO C=Cn1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000194230100 510271253 /nfs/dbraw/zinc/27/12/53/510271253.db2.gz HFAACAHCEFTATQ-UHFFFAOYSA-N 1 3 353.514 2.671 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174723906 510271472 /nfs/dbraw/zinc/27/14/72/510271472.db2.gz OCMXEVFJLFUIMC-INIZCTEOSA-N 1 3 366.937 2.545 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000269172378 510272543 /nfs/dbraw/zinc/27/25/43/510272543.db2.gz ZPFVXOMAIZSIOB-UHFFFAOYSA-N 1 3 364.440 2.680 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000177852726 510288972 /nfs/dbraw/zinc/28/89/72/510288972.db2.gz UCBOTFJYONAWLU-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000177852726 510288978 /nfs/dbraw/zinc/28/89/78/510288978.db2.gz UCBOTFJYONAWLU-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO CC(C)([NH3+])C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000269256516 510312201 /nfs/dbraw/zinc/31/22/01/510312201.db2.gz KJBWDDZGMRAERP-UHFFFAOYSA-N 1 3 352.482 2.685 20 0 FFADHO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NCc1ccccc1 ZINC000177942484 510338750 /nfs/dbraw/zinc/33/87/50/510338750.db2.gz MLPMUHCYASSNPK-ROUUACIJSA-N 1 3 369.509 2.983 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246242668 510384701 /nfs/dbraw/zinc/38/47/01/510384701.db2.gz DJAFPKQWEIMTMF-GGPKGHCWSA-N 1 3 362.562 2.909 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246242668 510384707 /nfs/dbraw/zinc/38/47/07/510384707.db2.gz DJAFPKQWEIMTMF-GGPKGHCWSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C1CC1 ZINC000246346480 510438007 /nfs/dbraw/zinc/43/80/07/510438007.db2.gz JKEWRDNLQXHXJZ-SQNIBIBYSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C1CC1 ZINC000246346480 510438018 /nfs/dbraw/zinc/43/80/18/510438018.db2.gz JKEWRDNLQXHXJZ-SQNIBIBYSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000246389909 510462306 /nfs/dbraw/zinc/46/23/06/510462306.db2.gz AVJQBVZPHYIYIU-CEXWTWQISA-N 1 3 363.546 2.777 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc([S@](C)=O)cc1 ZINC000246526062 510537451 /nfs/dbraw/zinc/53/74/51/510537451.db2.gz VARICFYMPJAFQF-QYNSMDLWSA-N 1 3 364.555 2.843 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2cn3cc(Cl)ccc3n2)C[C@H](C)O1 ZINC000172116510 510552175 /nfs/dbraw/zinc/55/21/75/510552175.db2.gz VCBMCAUUBLYKCS-GJZGRUSLSA-N 1 3 350.894 2.967 20 0 FFADHO C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCCN2Cc2ccccc2)C[C@@H](C)O1 ZINC000246568215 510561319 /nfs/dbraw/zinc/56/13/19/510561319.db2.gz VHFHJSXXJUQQPB-SFHLNBCPSA-N 1 3 373.541 2.657 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000246583804 510569764 /nfs/dbraw/zinc/56/97/64/510569764.db2.gz UJVPVOGNKPGXFM-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000246583804 510569767 /nfs/dbraw/zinc/56/97/67/510569767.db2.gz UJVPVOGNKPGXFM-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000184918305 510582964 /nfs/dbraw/zinc/58/29/64/510582964.db2.gz QELQVLUUCXSOCV-UHFFFAOYSA-N 1 3 373.545 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000246647387 510601129 /nfs/dbraw/zinc/60/11/29/510601129.db2.gz VBJDASZKCJPEIU-BTHPGYMESA-N 1 3 358.530 2.821 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1(C)C ZINC000188123844 510606080 /nfs/dbraw/zinc/60/60/80/510606080.db2.gz KSSHGFSVSYMURQ-GHTZIAJQSA-N 1 3 361.530 2.676 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1(C)C ZINC000188123844 510606088 /nfs/dbraw/zinc/60/60/88/510606088.db2.gz KSSHGFSVSYMURQ-GHTZIAJQSA-N 1 3 361.530 2.676 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246704208 510624510 /nfs/dbraw/zinc/62/45/10/510624510.db2.gz KIKKTFVCJPJZRW-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246704208 510624514 /nfs/dbraw/zinc/62/45/14/510624514.db2.gz KIKKTFVCJPJZRW-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@@H](N2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175646829 510710608 /nfs/dbraw/zinc/71/06/08/510710608.db2.gz YWPQWMAABVWEBC-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@@H](N2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646829 510710613 /nfs/dbraw/zinc/71/06/13/510710613.db2.gz YWPQWMAABVWEBC-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@@H](C)C1 ZINC000246875341 510722471 /nfs/dbraw/zinc/72/24/71/510722471.db2.gz SQBDGDCIFSKQQH-FHWLQOOXSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@@H](C)C1 ZINC000246875341 510722474 /nfs/dbraw/zinc/72/24/74/510722474.db2.gz SQBDGDCIFSKQQH-FHWLQOOXSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000246890008 510730791 /nfs/dbraw/zinc/73/07/91/510730791.db2.gz FJGIFIDVGYULBO-WKDRNLAYSA-N 1 3 358.574 2.684 20 0 FFADHO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000270348732 510772469 /nfs/dbraw/zinc/77/24/69/510772469.db2.gz FPTQTYUEVHKPTD-UHFFFAOYSA-N 1 3 373.541 2.591 20 0 FFADHO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000270348732 510772474 /nfs/dbraw/zinc/77/24/74/510772474.db2.gz FPTQTYUEVHKPTD-UHFFFAOYSA-N 1 3 373.541 2.591 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246971505 510775096 /nfs/dbraw/zinc/77/50/96/510775096.db2.gz LCBATSZYGMJVJG-RBUKOAKNSA-N 1 3 367.578 2.891 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)c(F)c3F)CC2)CC1 ZINC000195341670 510791347 /nfs/dbraw/zinc/79/13/47/510791347.db2.gz SCTVLAQBJOPAMJ-UHFFFAOYSA-N 1 3 370.419 2.784 20 0 FFADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1N(C)C ZINC000195343290 510793521 /nfs/dbraw/zinc/79/35/21/510793521.db2.gz UZUAAQRAYVEWGG-UHFFFAOYSA-N 1 3 373.545 2.741 20 0 FFADHO CCN1CCN(CCC[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000185316390 510803343 /nfs/dbraw/zinc/80/33/43/510803343.db2.gz UZGIMFPJNNMGMQ-KRWDZBQOSA-N 1 3 351.510 2.630 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccccc4)CC3)CC2)CC1 ZINC000263718513 510808210 /nfs/dbraw/zinc/80/82/10/510808210.db2.gz AOZBBDOHPKFJCQ-UHFFFAOYSA-N 1 3 356.514 2.534 20 0 FFADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182241772 510829850 /nfs/dbraw/zinc/82/98/50/510829850.db2.gz JEFPDLDZVDHWTO-OALUTQOASA-N 1 3 352.544 2.974 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000247365022 510858464 /nfs/dbraw/zinc/85/84/64/510858464.db2.gz RBBQAJRPIJSUPH-DLBZAZTESA-N 1 3 364.559 2.868 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000247365022 510858465 /nfs/dbraw/zinc/85/84/65/510858465.db2.gz RBBQAJRPIJSUPH-DLBZAZTESA-N 1 3 364.559 2.868 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000247384817 510859290 /nfs/dbraw/zinc/85/92/90/510859290.db2.gz LIDGDPCQGWQXRE-KVPLUYHFSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000247384817 510859291 /nfs/dbraw/zinc/85/92/91/510859291.db2.gz LIDGDPCQGWQXRE-KVPLUYHFSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360669919 510934690 /nfs/dbraw/zinc/93/46/90/510934690.db2.gz FSISMDSTTCYGLD-CEWLAPEOSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360669919 510934698 /nfs/dbraw/zinc/93/46/98/510934698.db2.gz FSISMDSTTCYGLD-CEWLAPEOSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000285526812 510942684 /nfs/dbraw/zinc/94/26/84/510942684.db2.gz KPHLEYVQEMYWHQ-HJNYFJLDSA-N 1 3 357.542 2.836 20 0 FFADHO O=S(=O)(CCC[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000294237982 511001352 /nfs/dbraw/zinc/00/13/52/511001352.db2.gz OWKUJHPEVUXLGJ-UHFFFAOYSA-N 1 3 373.522 2.645 20 0 FFADHO COc1ccccc1N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297716550 511044198 /nfs/dbraw/zinc/04/41/98/511044198.db2.gz RKGFEUIPJBKVAT-GOSISDBHSA-N 1 3 352.482 2.928 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282664711 511065736 /nfs/dbraw/zinc/06/57/36/511065736.db2.gz NDBNFNIKRYISLP-UHFFFAOYSA-N 1 3 369.557 2.903 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000279650503 511162617 /nfs/dbraw/zinc/16/26/17/511162617.db2.gz DZIJJISUMLKATI-CIAFKFPVSA-N 1 3 355.526 2.745 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000291581140 511255462 /nfs/dbraw/zinc/25/54/62/511255462.db2.gz FGCWVJGLWBMSEJ-QFIPXVFZSA-N 1 3 370.541 2.697 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000291581140 511255471 /nfs/dbraw/zinc/25/54/71/511255471.db2.gz FGCWVJGLWBMSEJ-QFIPXVFZSA-N 1 3 370.541 2.697 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)C2)C1 ZINC000291659752 511286046 /nfs/dbraw/zinc/28/60/46/511286046.db2.gz LHQJVWLYOVSRTH-VQIMIIECSA-N 1 3 362.543 2.622 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)C2)C1 ZINC000291659752 511286048 /nfs/dbraw/zinc/28/60/48/511286048.db2.gz LHQJVWLYOVSRTH-VQIMIIECSA-N 1 3 362.543 2.622 20 0 FFADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271815201 511334843 /nfs/dbraw/zinc/33/48/43/511334843.db2.gz UZSJMRKIIOHGNJ-APWZRJJASA-N 1 3 359.514 2.869 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333753054 511345472 /nfs/dbraw/zinc/34/54/72/511345472.db2.gz KFKOCTSOMVMTKD-ROUUACIJSA-N 1 3 350.551 2.720 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2=CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000271859435 511350169 /nfs/dbraw/zinc/35/01/69/511350169.db2.gz IFAZDHKLNKOGPM-XLIONFOSSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2=CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000271859435 511350174 /nfs/dbraw/zinc/35/01/74/511350174.db2.gz IFAZDHKLNKOGPM-XLIONFOSSA-N 1 3 356.514 2.601 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCN3CCC4(CCCCC4)CC3)C[C@H]21 ZINC000333793287 511358338 /nfs/dbraw/zinc/35/83/38/511358338.db2.gz MTDQLBSCSCZZDH-GUDVDZBRSA-N 1 3 362.562 2.802 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)cc1 ZINC000271906079 511365939 /nfs/dbraw/zinc/36/59/39/511365939.db2.gz WRHCJWKZRXZWFL-INIZCTEOSA-N 1 3 365.543 2.630 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000271906079 511365942 /nfs/dbraw/zinc/36/59/42/511365942.db2.gz WRHCJWKZRXZWFL-INIZCTEOSA-N 1 3 365.543 2.630 20 0 FFADHO CN(Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)ccc1F)[C@@H]1CCC[C@H]1O ZINC000295355167 511374803 /nfs/dbraw/zinc/37/48/03/511374803.db2.gz RDUQKXXOXKLDPJ-UAFMIMERSA-N 1 3 350.478 2.516 20 0 FFADHO CN(Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)ccc1F)[C@@H]1CCC[C@H]1O ZINC000295355167 511374811 /nfs/dbraw/zinc/37/48/11/511374811.db2.gz RDUQKXXOXKLDPJ-UAFMIMERSA-N 1 3 350.478 2.516 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)C[C@@H]21 ZINC000333869847 511378006 /nfs/dbraw/zinc/37/80/06/511378006.db2.gz BNFGFAQUKSOGTL-TWMKSMIVSA-N 1 3 362.543 2.654 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218863 511468581 /nfs/dbraw/zinc/46/85/81/511468581.db2.gz ILUUZRGNKWFRLD-HKUYNNGSSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218863 511468585 /nfs/dbraw/zinc/46/85/85/511468585.db2.gz ILUUZRGNKWFRLD-HKUYNNGSSA-N 1 3 370.541 2.823 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)[C@@H]2C1 ZINC000272273415 511488483 /nfs/dbraw/zinc/48/84/83/511488483.db2.gz AHIUTSXTLVGSCI-FXAWDEMLSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000299109971 511518468 /nfs/dbraw/zinc/51/84/68/511518468.db2.gz WXINHBIDOPGNHT-CEXWTWQISA-N 1 3 372.557 2.808 20 0 FFADHO C[C@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000299109971 511518471 /nfs/dbraw/zinc/51/84/71/511518471.db2.gz WXINHBIDOPGNHT-CEXWTWQISA-N 1 3 372.557 2.808 20 0 FFADHO O=C(NC1CC[NH+](CC2CC2)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000299149073 511531778 /nfs/dbraw/zinc/53/17/78/511531778.db2.gz KIGTVFQUMHCVME-UHFFFAOYSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000299274422 511574891 /nfs/dbraw/zinc/57/48/91/511574891.db2.gz LDPBGFAETQOXIS-ROUUACIJSA-N 1 3 369.509 2.984 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1)C(C)C ZINC000363591899 511645481 /nfs/dbraw/zinc/64/54/81/511645481.db2.gz IDTNVOGOVOJGAB-PMACEKPBSA-N 1 3 359.514 2.510 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1)C(C)C ZINC000363591899 511645485 /nfs/dbraw/zinc/64/54/85/511645485.db2.gz IDTNVOGOVOJGAB-PMACEKPBSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000363614407 511658411 /nfs/dbraw/zinc/65/84/11/511658411.db2.gz TZFFTBFEXPAODP-OTWHNJEPSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000363614407 511658412 /nfs/dbraw/zinc/65/84/12/511658412.db2.gz TZFFTBFEXPAODP-OTWHNJEPSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000303524924 511741808 /nfs/dbraw/zinc/74/18/08/511741808.db2.gz ZWGISOUFHBSOEK-RTBURBONSA-N 1 3 360.546 2.928 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955959 511816852 /nfs/dbraw/zinc/81/68/52/511816852.db2.gz IFSRUPIRAABTPY-OCCSQVGLSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955959 511816855 /nfs/dbraw/zinc/81/68/55/511816855.db2.gz IFSRUPIRAABTPY-OCCSQVGLSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955959 511816859 /nfs/dbraw/zinc/81/68/59/511816859.db2.gz IFSRUPIRAABTPY-OCCSQVGLSA-N 1 3 359.297 2.807 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363922365 511851684 /nfs/dbraw/zinc/85/16/84/511851684.db2.gz OJPACAMEFPSNRH-XHSDSOJGSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363922365 511851690 /nfs/dbraw/zinc/85/16/90/511851690.db2.gz OJPACAMEFPSNRH-XHSDSOJGSA-N 1 3 361.486 2.637 20 0 FFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000363923457 511853645 /nfs/dbraw/zinc/85/36/45/511853645.db2.gz HAGYAFONECUKCF-UIFIKXQLSA-N 1 3 368.525 2.803 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000274619480 511890778 /nfs/dbraw/zinc/89/07/78/511890778.db2.gz MAVRCUDFQNEHKP-KCZVDYSFSA-N 1 3 358.574 2.655 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000296870464 511931087 /nfs/dbraw/zinc/93/10/87/511931087.db2.gz BRVPEJDKVLITHD-VAKYOOAGSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000296870464 511931089 /nfs/dbraw/zinc/93/10/89/511931089.db2.gz BRVPEJDKVLITHD-VAKYOOAGSA-N 1 3 356.514 2.574 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000285025035 511973154 /nfs/dbraw/zinc/97/31/54/511973154.db2.gz MQVBENLJWLPTEW-ICSRJNTNSA-N 1 3 373.541 2.692 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000285025035 511973163 /nfs/dbraw/zinc/97/31/63/511973163.db2.gz MQVBENLJWLPTEW-ICSRJNTNSA-N 1 3 373.541 2.692 20 0 FFADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC2CCN(C3CC3)CC2)[C@H](C(F)(F)F)C1 ZINC000366359991 511976848 /nfs/dbraw/zinc/97/68/48/511976848.db2.gz BOUOADHYLCFTKK-HUUCEWRRSA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)NC2CCN(C3CC3)CC2)[C@H](C(F)(F)F)C1 ZINC000366359991 511976855 /nfs/dbraw/zinc/97/68/55/511976855.db2.gz BOUOADHYLCFTKK-HUUCEWRRSA-N 1 3 361.452 2.638 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274947711 511996527 /nfs/dbraw/zinc/99/65/27/511996527.db2.gz URRHKCQUELLVNX-UNMCSNQZSA-N 1 3 358.574 2.514 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3ccc(CSC(F)F)o3)C2)CC1 ZINC000364205241 512018194 /nfs/dbraw/zinc/01/81/94/512018194.db2.gz GCVDPEPHRYFMFI-ZDUSSCGKSA-N 1 3 359.486 2.994 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000293631610 512033609 /nfs/dbraw/zinc/03/36/09/512033609.db2.gz GNSKJPSJDZHLAC-MRXNPFEDSA-N 1 3 353.532 2.511 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364311694 512081149 /nfs/dbraw/zinc/08/11/49/512081149.db2.gz CSOFRRSFVZIVDS-DSKINZAPSA-N 1 3 368.525 2.753 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000366550465 512082996 /nfs/dbraw/zinc/08/29/96/512082996.db2.gz HISIDTYBZQKQGC-HXUWFJFHSA-N 1 3 359.514 2.512 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000371583957 512479567 /nfs/dbraw/zinc/47/95/67/512479567.db2.gz PEQIPIXHLHLLJV-AZUAARDMSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000371583957 512479571 /nfs/dbraw/zinc/47/95/71/512479571.db2.gz PEQIPIXHLHLLJV-AZUAARDMSA-N 1 3 370.541 2.848 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000367625784 512590544 /nfs/dbraw/zinc/59/05/44/512590544.db2.gz YYANAACYUMQCRH-XBVQOTNRSA-N 1 3 366.889 2.607 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000367625784 512590547 /nfs/dbraw/zinc/59/05/47/512590547.db2.gz YYANAACYUMQCRH-XBVQOTNRSA-N 1 3 366.889 2.607 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000367625784 512590554 /nfs/dbraw/zinc/59/05/54/512590554.db2.gz YYANAACYUMQCRH-XBVQOTNRSA-N 1 3 366.889 2.607 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)N(C)C)cc1OC ZINC000367625978 512590941 /nfs/dbraw/zinc/59/09/41/512590941.db2.gz MCWNEFDOVVEVAQ-MKXGPGLRSA-N 1 3 361.530 2.769 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N(C)C)cc1OC ZINC000367625978 512590944 /nfs/dbraw/zinc/59/09/44/512590944.db2.gz MCWNEFDOVVEVAQ-MKXGPGLRSA-N 1 3 361.530 2.769 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)N(C)C)cc1OC ZINC000367625978 512590948 /nfs/dbraw/zinc/59/09/48/512590948.db2.gz MCWNEFDOVVEVAQ-MKXGPGLRSA-N 1 3 361.530 2.769 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000373959841 512594066 /nfs/dbraw/zinc/59/40/66/512594066.db2.gz VXOYQOLVVRHOOC-OAQYLSRUSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374196482 512703295 /nfs/dbraw/zinc/70/32/95/512703295.db2.gz AHPYXNFZBREOLN-CBQOVEMMSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374196482 512703301 /nfs/dbraw/zinc/70/33/01/512703301.db2.gz AHPYXNFZBREOLN-CBQOVEMMSA-N 1 3 372.557 2.880 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@@H]1c1cccs1 ZINC000372106297 512718725 /nfs/dbraw/zinc/71/87/25/512718725.db2.gz XVMVJKHJTNNALK-PKOBYXMFSA-N 1 3 369.534 2.744 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@@H]1c1cccs1 ZINC000372106297 512718730 /nfs/dbraw/zinc/71/87/30/512718730.db2.gz XVMVJKHJTNNALK-PKOBYXMFSA-N 1 3 369.534 2.744 20 0 FFADHO C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411718146 512776947 /nfs/dbraw/zinc/77/69/47/512776947.db2.gz KKGLCZCHOZBZCX-SIKLNZKXSA-N 1 3 357.542 2.968 20 0 FFADHO COC[C@]1(C(=O)OC)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411798763 512817359 /nfs/dbraw/zinc/81/73/59/512817359.db2.gz SNJUTYNDQHZYRN-NRFANRHFSA-N 1 3 360.498 2.684 20 0 FFADHO CSc1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000372329980 512818288 /nfs/dbraw/zinc/81/82/88/512818288.db2.gz FBXUHUKGQKBLPN-XLIONFOSSA-N 1 3 363.571 2.745 20 0 FFADHO CSc1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000372329980 512818291 /nfs/dbraw/zinc/81/82/91/512818291.db2.gz FBXUHUKGQKBLPN-XLIONFOSSA-N 1 3 363.571 2.745 20 0 FFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000380478888 512872719 /nfs/dbraw/zinc/87/27/19/512872719.db2.gz TYWMDQFCALWVHH-GOTSBHOMSA-N 1 3 367.537 2.514 20 0 FFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000380478888 512872724 /nfs/dbraw/zinc/87/27/24/512872724.db2.gz TYWMDQFCALWVHH-GOTSBHOMSA-N 1 3 367.537 2.514 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368429717 512945240 /nfs/dbraw/zinc/94/52/40/512945240.db2.gz PVSYIKJBMLTBLZ-SFTDATJTSA-N 1 3 355.526 2.889 20 0 FFADHO OC1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC000397696908 512949351 /nfs/dbraw/zinc/94/93/51/512949351.db2.gz SMJYPQUVEUWIRQ-IRXDYDNUSA-N 1 3 372.431 2.713 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000368520592 512985712 /nfs/dbraw/zinc/98/57/12/512985712.db2.gz WWKXWVFZVCZOBT-YADHBBJMSA-N 1 3 359.558 2.991 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000368520592 512985713 /nfs/dbraw/zinc/98/57/13/512985713.db2.gz WWKXWVFZVCZOBT-YADHBBJMSA-N 1 3 359.558 2.991 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000370632421 513023657 /nfs/dbraw/zinc/02/36/57/513023657.db2.gz AOMVPZCYEIEHAR-PKOBYXMFSA-N 1 3 353.514 2.691 20 0 FFADHO COCc1cc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)ccc1OC ZINC000370635050 513025520 /nfs/dbraw/zinc/02/55/20/513025520.db2.gz NUETYFBWVKADEK-LPHOPBHVSA-N 1 3 361.530 2.661 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376971218 513072905 /nfs/dbraw/zinc/07/29/05/513072905.db2.gz GWIQCNOBAMUQHQ-GPANFISMSA-N 1 3 361.452 2.782 20 0 FFADHO C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000376976948 513075476 /nfs/dbraw/zinc/07/54/76/513075476.db2.gz HDRXUQWOUGTXPU-SGZDXZSOSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000428695306 513166430 /nfs/dbraw/zinc/16/64/30/513166430.db2.gz VWLFQBJOWLFEQS-PBASOCQRSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000428695306 513166440 /nfs/dbraw/zinc/16/64/40/513166440.db2.gz VWLFQBJOWLFEQS-PBASOCQRSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000417837097 513229031 /nfs/dbraw/zinc/22/90/31/513229031.db2.gz XEEZCFZDBCRCHN-IEBWSBKVSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)C1 ZINC000429043536 513266380 /nfs/dbraw/zinc/26/63/80/513266380.db2.gz SMXGMZALAKYTAH-SCPDWHHUSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)C1 ZINC000429043536 513266385 /nfs/dbraw/zinc/26/63/85/513266385.db2.gz SMXGMZALAKYTAH-SCPDWHHUSA-N 1 3 371.569 2.940 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000417912587 513274005 /nfs/dbraw/zinc/27/40/05/513274005.db2.gz OOWKOSXLJGGASY-FXAWDEMLSA-N 1 3 360.546 2.916 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000417912587 513274008 /nfs/dbraw/zinc/27/40/08/513274008.db2.gz OOWKOSXLJGGASY-FXAWDEMLSA-N 1 3 360.546 2.916 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCC1 ZINC000429125578 513284415 /nfs/dbraw/zinc/28/44/15/513284415.db2.gz ZOQZGNFTPQUBFI-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](NC(=O)NCCCNCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417991361 513321448 /nfs/dbraw/zinc/32/14/48/513321448.db2.gz LJXXGDJXUUHFRE-IEBWSBKVSA-N 1 3 373.545 2.514 20 0 FFADHO C[C@@H](NC(=O)NCCCNCc1cccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417991361 513321453 /nfs/dbraw/zinc/32/14/53/513321453.db2.gz LJXXGDJXUUHFRE-IEBWSBKVSA-N 1 3 373.545 2.514 20 0 FFADHO CO[C@@H](Cc1ccccc1)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000450743911 513322701 /nfs/dbraw/zinc/32/27/01/513322701.db2.gz JVGICDODDJNLFT-NRFANRHFSA-N 1 3 359.558 2.594 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000418007259 513332116 /nfs/dbraw/zinc/33/21/16/513332116.db2.gz FYEDPYBPQLQZMC-FXAWDEMLSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418027365 513340517 /nfs/dbraw/zinc/34/05/17/513340517.db2.gz GJOBPYFAVDVZPC-QUCCMNQESA-N 1 3 360.546 2.832 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418026705 513340981 /nfs/dbraw/zinc/34/09/81/513340981.db2.gz FTUJMUFEDSKOSF-VQTJNVASSA-N 1 3 360.546 2.913 20 0 FFADHO O=C(COc1ccccc1CNCC1CC[NH+](C2CC2)CC1)N1CCCC1 ZINC000446887091 513356901 /nfs/dbraw/zinc/35/69/01/513356901.db2.gz NXGQVFGVFFGYPO-UHFFFAOYSA-N 1 3 371.525 2.652 20 0 FFADHO C[C@H](NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000418129322 513383893 /nfs/dbraw/zinc/38/38/93/513383893.db2.gz BKZVYYLBSULVIY-FFZOFVMBSA-N 1 3 358.530 2.584 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418149869 513390765 /nfs/dbraw/zinc/39/07/65/513390765.db2.gz BYEQFZMQZFPMIV-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000418147675 513391256 /nfs/dbraw/zinc/39/12/56/513391256.db2.gz QUJMIDFYISNZKB-YZGWKJHDSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C[C@H]1C[NH3+] ZINC000418157369 513396130 /nfs/dbraw/zinc/39/61/30/513396130.db2.gz OEPUGTFRUQAGOX-RLLQIKCJSA-N 1 3 372.557 2.913 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC([NH3+])CC1 ZINC000418163028 513399848 /nfs/dbraw/zinc/39/98/48/513399848.db2.gz VIXXLFFMEZHWBX-ACBHZAAOSA-N 1 3 358.530 2.856 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccco1 ZINC000418168004 513401796 /nfs/dbraw/zinc/40/17/96/513401796.db2.gz NIVFUEVRWDIZAX-NVXWUHKLSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccco1 ZINC000418169480 513402255 /nfs/dbraw/zinc/40/22/55/513402255.db2.gz PZYOVMNKVXISBP-AEFFLSMTSA-N 1 3 358.486 2.879 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000418169931 513403689 /nfs/dbraw/zinc/40/36/89/513403689.db2.gz QXIHNGHASDCGOC-NVXWUHKLSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccco1 ZINC000418172344 513405000 /nfs/dbraw/zinc/40/50/00/513405000.db2.gz WSLWIOJVWINIPU-LUKYLMHMSA-N 1 3 350.507 2.773 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCN1CCC2(CCCCC2)CC1 ZINC000418177784 513407364 /nfs/dbraw/zinc/40/73/64/513407364.db2.gz WJNBBMXTCHQHJV-SFHVURJKSA-N 1 3 350.551 2.864 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000418198410 513417282 /nfs/dbraw/zinc/41/72/82/513417282.db2.gz VDHCNXIFMDULAJ-HXUWFJFHSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@@H](NC(=O)NCC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000418239358 513436340 /nfs/dbraw/zinc/43/63/40/513436340.db2.gz HDLXYNJUQSBSBX-IEBWSBKVSA-N 1 3 358.530 2.728 20 0 FFADHO COC1([C@H](C)[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCOCC1 ZINC000421859540 513453081 /nfs/dbraw/zinc/45/30/81/513453081.db2.gz FTRHFJJHJIXMIO-SJORKVTESA-N 1 3 350.503 2.862 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000418355068 513479981 /nfs/dbraw/zinc/47/99/81/513479981.db2.gz OWDQTQILBLHYGT-FQEVSTJZSA-N 1 3 354.498 2.980 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418357796 513482090 /nfs/dbraw/zinc/48/20/90/513482090.db2.gz YOOGCCKDEMOCAZ-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN(C(=O)NC[C@H](C)C[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418385802 513491407 /nfs/dbraw/zinc/49/14/07/513491407.db2.gz KUCIBGYOTFUXJU-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccco1 ZINC000415944845 513492618 /nfs/dbraw/zinc/49/26/18/513492618.db2.gz JNJGJTHXMQZUAE-WMLDXEAASA-N 1 3 360.458 2.868 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000418416157 513500686 /nfs/dbraw/zinc/50/06/86/513500686.db2.gz PULJRTRGYCXTNU-UHFFFAOYSA-N 1 3 360.424 2.516 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418427678 513505386 /nfs/dbraw/zinc/50/53/86/513505386.db2.gz LJHFTMBOGXAROU-RXVVDRJESA-N 1 3 366.509 2.992 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCCc2ccc(OCCN(C)C)cc2)cc1 ZINC000415976922 513512100 /nfs/dbraw/zinc/51/21/00/513512100.db2.gz WXAUKWNNQVPHRU-UHFFFAOYSA-N 1 3 370.497 2.711 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415980637 513515351 /nfs/dbraw/zinc/51/53/51/513515351.db2.gz TURJRBDCEBTTDR-UHFFFAOYSA-N 1 3 353.470 2.921 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CCC[NH2+]C1 ZINC000418538971 513548837 /nfs/dbraw/zinc/54/88/37/513548837.db2.gz LLQWILLFDNAWFX-VXKWHMMOSA-N 1 3 370.541 2.684 20 0 FFADHO C[C@@H]1C[N@@H+](CCC2CCN([C@@H]3CCN(C(C)(C)C)C3=O)CC2)C[C@H](C)O1 ZINC000425413973 513551747 /nfs/dbraw/zinc/55/17/47/513551747.db2.gz CYDKWUYCNPAMND-ZIFCJYIRSA-N 1 3 365.562 2.597 20 0 FFADHO C[C@@H]1C[N@H+](CCC2CCN([C@@H]3CCN(C(C)(C)C)C3=O)CC2)C[C@H](C)O1 ZINC000425413973 513551752 /nfs/dbraw/zinc/55/17/52/513551752.db2.gz CYDKWUYCNPAMND-ZIFCJYIRSA-N 1 3 365.562 2.597 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418555578 513555990 /nfs/dbraw/zinc/55/59/90/513555990.db2.gz PGZAPXJEOKXBGA-QUCCMNQESA-N 1 3 358.530 2.990 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418558295 513557187 /nfs/dbraw/zinc/55/71/87/513557187.db2.gz XHJHMDSIJCPBFD-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418557145 513557471 /nfs/dbraw/zinc/55/74/71/513557471.db2.gz FSOQPDHYBWGHJZ-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418562184 513560432 /nfs/dbraw/zinc/56/04/32/513560432.db2.gz UAUAPDBIDVQCTN-SXLOBPIMSA-N 1 3 358.530 2.538 20 0 FFADHO COc1ccc2oc(CN3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000435371211 513568096 /nfs/dbraw/zinc/56/80/96/513568096.db2.gz LXHXGDPMMNUHDP-DNVCBOLYSA-N 1 3 371.481 2.522 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000418609670 513577286 /nfs/dbraw/zinc/57/72/86/513577286.db2.gz COMZCQYMFYTFDT-FXAWDEMLSA-N 1 3 358.530 2.810 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418628219 513582180 /nfs/dbraw/zinc/58/21/80/513582180.db2.gz BWIQDDJBXUITQE-JRGCBEDISA-N 1 3 368.525 2.532 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418628219 513582188 /nfs/dbraw/zinc/58/21/88/513582188.db2.gz BWIQDDJBXUITQE-JRGCBEDISA-N 1 3 368.525 2.532 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418735813 513630792 /nfs/dbraw/zinc/63/07/92/513630792.db2.gz WSDQFZCPDZKRPT-HOJAQTOUSA-N 1 3 358.530 2.810 20 0 FFADHO CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435615833 513637208 /nfs/dbraw/zinc/63/72/08/513637208.db2.gz QPQNRTAXZOJION-SFHVURJKSA-N 1 3 372.513 2.606 20 0 FFADHO CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCNCC1 ZINC000435615833 513637214 /nfs/dbraw/zinc/63/72/14/513637214.db2.gz QPQNRTAXZOJION-SFHVURJKSA-N 1 3 372.513 2.606 20 0 FFADHO CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCNCC1 ZINC000435615833 513637217 /nfs/dbraw/zinc/63/72/17/513637217.db2.gz QPQNRTAXZOJION-SFHVURJKSA-N 1 3 372.513 2.606 20 0 FFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000430582549 513694746 /nfs/dbraw/zinc/69/47/46/513694746.db2.gz LGZSCBFMZSXLKY-MRXNPFEDSA-N 1 3 356.514 2.537 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](N)c3ccc(C)cc3)cc2)CC1 ZINC000430621024 513705135 /nfs/dbraw/zinc/70/51/35/513705135.db2.gz CUDYXXYVOXUGMO-NRFANRHFSA-N 1 3 366.509 2.771 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCOc1cccc2ccccc21 ZINC000436054170 513747735 /nfs/dbraw/zinc/74/77/35/513747735.db2.gz HAZUJDIVWIZAGD-LJQANCHMSA-N 1 3 369.509 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cscc1C ZINC000426262352 513888638 /nfs/dbraw/zinc/88/86/38/513888638.db2.gz WUMYMWAPBUBXSD-QGZVFWFLSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cscc1C ZINC000426262352 513888640 /nfs/dbraw/zinc/88/86/40/513888640.db2.gz WUMYMWAPBUBXSD-QGZVFWFLSA-N 1 3 352.548 2.614 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cc(F)ccc2OC)CC[NH2+]CC1 ZINC000422692963 513905546 /nfs/dbraw/zinc/90/55/46/513905546.db2.gz LECHCWYHESZNDP-ZIAGYGMSSA-N 1 3 352.450 2.806 20 0 FFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422700317 513906486 /nfs/dbraw/zinc/90/64/86/513906486.db2.gz GKSBRRSILKAQDI-PCCBWWKXSA-N 1 3 357.542 2.570 20 0 FFADHO Fc1ccc(Br)cc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422705368 513908886 /nfs/dbraw/zinc/90/88/86/513908886.db2.gz RKRWXNCJUUYEFV-HYVNUMGLSA-N 1 3 371.294 2.877 20 0 FFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422735099 513917260 /nfs/dbraw/zinc/91/72/60/513917260.db2.gz UMONGWHXZBWLHK-IEBWSBKVSA-N 1 3 353.470 2.620 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422747054 513921109 /nfs/dbraw/zinc/92/11/09/513921109.db2.gz OZGKAQSBAZWUKK-APHBMKBZSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422747054 513921116 /nfs/dbraw/zinc/92/11/16/513921116.db2.gz OZGKAQSBAZWUKK-APHBMKBZSA-N 1 3 353.304 2.823 20 0 FFADHO [NH3+][C@H]1CCC[C@@H]1NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000422826029 513943984 /nfs/dbraw/zinc/94/39/84/513943984.db2.gz BKQZYAZXANPBIR-ROUUACIJSA-N 1 3 370.463 2.687 20 0 FFADHO N[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000422826029 513943993 /nfs/dbraw/zinc/94/39/93/513943993.db2.gz BKQZYAZXANPBIR-ROUUACIJSA-N 1 3 370.463 2.687 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422847643 513950949 /nfs/dbraw/zinc/95/09/49/513950949.db2.gz IODAONJLUNHEQC-KRWDZBQOSA-N 1 3 360.546 2.782 20 0 FFADHO FC(F)(F)CN1CCC(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422856391 513954192 /nfs/dbraw/zinc/95/41/92/513954192.db2.gz FEYNWTSWJDYLLZ-WMZOPIPTSA-N 1 3 369.431 2.859 20 0 FFADHO Cc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCOCC1 ZINC000422885987 513964242 /nfs/dbraw/zinc/96/42/42/513964242.db2.gz ZVMGXSLCFOJQOY-HMXCVIKNSA-N 1 3 358.526 2.790 20 0 FFADHO C[C@H](NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422891949 513967081 /nfs/dbraw/zinc/96/70/81/513967081.db2.gz WZJRZSWLMAPTMG-QFBILLFUSA-N 1 3 350.938 2.582 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416799838 513971085 /nfs/dbraw/zinc/97/10/85/513971085.db2.gz DUMJVXFLSGAKSM-VAMGGRTRSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422905504 513971939 /nfs/dbraw/zinc/97/19/39/513971939.db2.gz SHTWHQNTGPKKRK-HKUYNNGSSA-N 1 3 364.965 2.830 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422905506 513972028 /nfs/dbraw/zinc/97/20/28/513972028.db2.gz SHTWHQNTGPKKRK-IEBWSBKVSA-N 1 3 364.965 2.830 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000416805170 513973763 /nfs/dbraw/zinc/97/37/63/513973763.db2.gz KSJSUJMVZNSXEN-KAUDZBRASA-N 1 3 370.541 2.742 20 0 FFADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422918264 513975697 /nfs/dbraw/zinc/97/56/97/513975697.db2.gz HSFWSIXZDQOWSS-KZNAEPCWSA-N 1 3 357.498 2.703 20 0 FFADHO O=C1COc2ccccc2N1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422918264 513975703 /nfs/dbraw/zinc/97/57/03/513975703.db2.gz HSFWSIXZDQOWSS-KZNAEPCWSA-N 1 3 357.498 2.703 20 0 FFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422925306 513979066 /nfs/dbraw/zinc/97/90/66/513979066.db2.gz AVVCYIFLVLUBRA-ODAXIHTASA-N 1 3 371.569 2.816 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cc2)C[C@H](C)O1 ZINC000422942043 513984016 /nfs/dbraw/zinc/98/40/16/513984016.db2.gz JXHPJHWCZHZVKD-ACZWYYKOSA-N 1 3 359.514 2.686 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000416824211 513984494 /nfs/dbraw/zinc/98/44/94/513984494.db2.gz OYIDTHSQXHZZQH-UYAOXDASSA-N 1 3 374.529 2.664 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC(CC[NH2+]C)CC2)N(C)C)cc1 ZINC000416832472 513990804 /nfs/dbraw/zinc/99/08/04/513990804.db2.gz BRGAVXYMCIGXRB-FQEVSTJZSA-N 1 3 360.546 2.883 20 0 FFADHO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@H]3CCC[C@@H]3N)c2)cc1 ZINC000422959427 513991670 /nfs/dbraw/zinc/99/16/70/513991670.db2.gz RXMYZXZQHGWOSI-PMACEKPBSA-N 1 3 369.465 2.796 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N2CCCC2)c1 ZINC000416840148 513993504 /nfs/dbraw/zinc/99/35/04/513993504.db2.gz DZSQKVRSFFWNMI-QFBILLFUSA-N 1 3 362.518 2.649 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)[C@H](C[NH3+])C1 ZINC000416840870 513995347 /nfs/dbraw/zinc/99/53/47/513995347.db2.gz LJXMJHUEILSLBS-PMPSAXMXSA-N 1 3 350.532 2.654 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)N(C)C)cc1 ZINC000416845201 513998788 /nfs/dbraw/zinc/99/87/88/513998788.db2.gz RIAMNRYPOGPFJH-ZCNNSNEGSA-N 1 3 358.530 2.539 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)N(C)C)cc1OC ZINC000422990205 514000007 /nfs/dbraw/zinc/00/00/07/514000007.db2.gz NGLXDUWDUYLMGO-UXPWSPDFSA-N 1 3 371.525 2.855 20 0 FFADHO COc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1OC ZINC000422990205 514000015 /nfs/dbraw/zinc/00/00/15/514000015.db2.gz NGLXDUWDUYLMGO-UXPWSPDFSA-N 1 3 371.525 2.855 20 0 FFADHO C[C@@H](CCc1ccccc1F)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414184221 514001653 /nfs/dbraw/zinc/00/16/53/514001653.db2.gz FNPWPMSTEWWPQO-SFHVURJKSA-N 1 3 363.521 2.533 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416853333 514004369 /nfs/dbraw/zinc/00/43/69/514004369.db2.gz UABSMSSRMDHHIA-IAGOWNOFSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1CN(C)Cc1ccco1 ZINC000423001894 514004535 /nfs/dbraw/zinc/00/45/35/514004535.db2.gz FEANVOCBCRDGLK-NDXORKPFSA-N 1 3 357.498 2.754 20 0 FFADHO CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414194063 514006039 /nfs/dbraw/zinc/00/60/39/514006039.db2.gz MZXZUDHAJPHFIB-VQTJNVASSA-N 1 3 351.579 2.978 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccnc(SCC)c2)CC[NH2+]CC1 ZINC000423064593 514024946 /nfs/dbraw/zinc/02/49/46/514024946.db2.gz RYMZZHOSPXMVTR-CQSZACIVSA-N 1 3 351.516 2.605 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(I)cc1 ZINC000423106786 514043823 /nfs/dbraw/zinc/04/38/23/514043823.db2.gz DGMFSLRDYNCSEC-DOMZBBRYSA-N 1 3 374.266 2.648 20 0 FFADHO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000414320074 514045520 /nfs/dbraw/zinc/04/55/20/514045520.db2.gz BAMMHDNUVHXMNT-LEWJYISDSA-N 1 3 373.541 2.677 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000423116221 514049043 /nfs/dbraw/zinc/04/90/43/514049043.db2.gz ZYRZJBBNNIJYNW-XGUBFFRZSA-N 1 3 367.563 2.964 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1Br ZINC000423148990 514060522 /nfs/dbraw/zinc/06/05/22/514060522.db2.gz ACJTVUUHRYHHMA-QILLFSRXSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCNCC[C@@H]2C)cc1Br ZINC000423148990 514060525 /nfs/dbraw/zinc/06/05/25/514060525.db2.gz ACJTVUUHRYHHMA-QILLFSRXSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423162313 514066363 /nfs/dbraw/zinc/06/63/63/514066363.db2.gz PAVWRRFZKASGGM-XUWXXGDYSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423162313 514066368 /nfs/dbraw/zinc/06/63/68/514066368.db2.gz PAVWRRFZKASGGM-XUWXXGDYSA-N 1 3 369.347 2.886 20 0 FFADHO O[C@H](C[NH2+]Cc1ccnc2c(Br)cccc12)CN1CCCC1 ZINC000449088712 514067404 /nfs/dbraw/zinc/06/74/04/514067404.db2.gz BVZZBGMYSVSEMY-CQSZACIVSA-N 1 3 364.287 2.544 20 0 FFADHO C[C@H]([NH3+])C1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000420297133 514077613 /nfs/dbraw/zinc/07/76/13/514077613.db2.gz QXEOSVRRCGQEMR-UGSOOPFHSA-N 1 3 351.441 2.515 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000420302280 514080147 /nfs/dbraw/zinc/08/01/47/514080147.db2.gz JLYHHHXNXXHEHU-PXNSSMCTSA-N 1 3 373.541 2.708 20 0 FFADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCCN1Cc1ccc(F)cc1F ZINC000420300285 514080820 /nfs/dbraw/zinc/08/08/20/514080820.db2.gz CFYKQTYZNHZMIB-SFHVURJKSA-N 1 3 363.452 2.531 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000414384794 514082728 /nfs/dbraw/zinc/08/27/28/514082728.db2.gz CZXXQGLGUUCWNI-UHFFFAOYSA-N 1 3 360.477 2.862 20 0 FFADHO N[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000416977569 514084691 /nfs/dbraw/zinc/08/46/91/514084691.db2.gz QDQKECYWYYTFHD-OAQYLSRUSA-N 1 3 366.509 2.693 20 0 FFADHO COCC(=O)N1CCC(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449132938 514086220 /nfs/dbraw/zinc/08/62/20/514086220.db2.gz WKNRPFUZBWOURU-UHFFFAOYSA-N 1 3 367.578 2.893 20 0 FFADHO COCC(=O)N1CCC([NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449132938 514086225 /nfs/dbraw/zinc/08/62/25/514086225.db2.gz WKNRPFUZBWOURU-UHFFFAOYSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@H](Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423231481 514086891 /nfs/dbraw/zinc/08/68/91/514086891.db2.gz LHDNVXTUKBYFMW-AZUAARDMSA-N 1 3 365.525 2.814 20 0 FFADHO C[C@H](Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423231481 514086898 /nfs/dbraw/zinc/08/68/98/514086898.db2.gz LHDNVXTUKBYFMW-AZUAARDMSA-N 1 3 365.525 2.814 20 0 FFADHO C[C@H]([C@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000449137205 514089036 /nfs/dbraw/zinc/08/90/36/514089036.db2.gz XKUKSYVSHWZJQK-SLFFLAALSA-N 1 3 359.558 2.781 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000416981738 514089478 /nfs/dbraw/zinc/08/94/78/514089478.db2.gz VNDYNGYLPSNMNW-HKUYNNGSSA-N 1 3 358.530 2.728 20 0 FFADHO c1nc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)oc1-c1ccccc1 ZINC000420325429 514094447 /nfs/dbraw/zinc/09/44/47/514094447.db2.gz WKCKSXMQFCWPBA-SFHVURJKSA-N 1 3 354.498 2.849 20 0 FFADHO O=C1[C@H](N2CCC3(CC[NH2+]C3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000420329367 514096586 /nfs/dbraw/zinc/09/65/86/514096586.db2.gz GMHDPZAAKDRTFN-GOSISDBHSA-N 1 3 363.452 2.531 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344552 514104156 /nfs/dbraw/zinc/10/41/56/514104156.db2.gz TXFTWNGWDMPCAV-MCIONIFRSA-N 1 3 353.413 2.546 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000417004108 514109835 /nfs/dbraw/zinc/10/98/35/514109835.db2.gz CIMFZLGZGDNHDC-SOLBZPMBSA-N 1 3 350.551 2.526 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccsc1 ZINC000417011160 514115935 /nfs/dbraw/zinc/11/59/35/514115935.db2.gz RGRXIRKKNMJMKN-SOLBZPMBSA-N 1 3 364.559 2.772 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000417011988 514116856 /nfs/dbraw/zinc/11/68/56/514116856.db2.gz UTRGZFNKVKWURZ-IRXDYDNUSA-N 1 3 350.532 2.667 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000423371079 514120073 /nfs/dbraw/zinc/12/00/73/514120073.db2.gz HJJYVDOGAINCKL-OALUTQOASA-N 1 3 361.530 2.590 20 0 FFADHO CC[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000417015528 514120748 /nfs/dbraw/zinc/12/07/48/514120748.db2.gz MQIMNBYIVVPBII-WOJBJXKFSA-N 1 3 358.530 2.655 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)N1CCc2ccccc2C1 ZINC000417016120 514121091 /nfs/dbraw/zinc/12/10/91/514121091.db2.gz NONAFMMCZQQYNS-YLJYHZDGSA-N 1 3 358.530 2.594 20 0 FFADHO CC1CCN(CCNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417025617 514127778 /nfs/dbraw/zinc/12/77/78/514127778.db2.gz XXCCFIJUAHPIQC-FQEVSTJZSA-N 1 3 354.498 2.871 20 0 FFADHO COc1cc(NC(=O)CCN2CC[C@H](C)[C@H](C[NH3+])C2)c(OC)cc1Cl ZINC000420397346 514131311 /nfs/dbraw/zinc/13/13/11/514131311.db2.gz FYECZLLTHWVWDA-QWHCGFSZSA-N 1 3 369.893 2.603 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1)[C@H](C)[NH3+] ZINC000423410424 514133497 /nfs/dbraw/zinc/13/34/97/514133497.db2.gz AFKRJMUKOKQWEI-JENIJYKNSA-N 1 3 361.530 2.622 20 0 FFADHO CCC[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414478942 514144382 /nfs/dbraw/zinc/14/43/82/514144382.db2.gz GFZKBTRGJFYTFU-OAQYLSRUSA-N 1 3 359.558 2.957 20 0 FFADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000444181996 514147370 /nfs/dbraw/zinc/14/73/70/514147370.db2.gz KVZSLYNVZDHQOR-BVSLBCMMSA-N 1 3 353.510 2.501 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000427270316 514167733 /nfs/dbraw/zinc/16/77/33/514167733.db2.gz SNMQWPRPHBLHNW-NSHGMRRFSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449332213 514171440 /nfs/dbraw/zinc/17/14/40/514171440.db2.gz CIIBDOUUXSFYAO-RZFNWQHOSA-N 1 3 363.505 2.869 20 0 FFADHO COCCOC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000449392710 514190779 /nfs/dbraw/zinc/19/07/79/514190779.db2.gz KKEHCOLEKCRTHI-AZUAARDMSA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000449392710 514190789 /nfs/dbraw/zinc/19/07/89/514190789.db2.gz KKEHCOLEKCRTHI-AZUAARDMSA-N 1 3 368.562 2.831 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417176520 514210559 /nfs/dbraw/zinc/21/05/59/514210559.db2.gz CHOFNTWGIYVISI-ACRUOGEOSA-N 1 3 372.557 2.723 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H](CO)c2ccccc2)CC1 ZINC000449452781 514214907 /nfs/dbraw/zinc/21/49/07/514214907.db2.gz LKIFETIQRNSJQQ-QFIPXVFZSA-N 1 3 353.510 2.994 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H](CO)c2ccccc2)CC1 ZINC000449452781 514214918 /nfs/dbraw/zinc/21/49/18/514214918.db2.gz LKIFETIQRNSJQQ-QFIPXVFZSA-N 1 3 353.510 2.994 20 0 FFADHO O=C([C@H]1C[C@@]12CC[NH2+]C2)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423749870 514217373 /nfs/dbraw/zinc/21/73/73/514217373.db2.gz CQOFPXGILVTXSR-UYAOXDASSA-N 1 3 361.917 2.764 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c2ccccc2)CC1 ZINC000417220147 514240251 /nfs/dbraw/zinc/24/02/51/514240251.db2.gz XKJRWQDFKRMEHR-YZGWKJHDSA-N 1 3 358.530 2.838 20 0 FFADHO CN(CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000417227370 514245735 /nfs/dbraw/zinc/24/57/35/514245735.db2.gz CHTZONVMEWXQDD-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000423848086 514261400 /nfs/dbraw/zinc/26/14/00/514261400.db2.gz NEVMSQVMWFLVNU-VUBSUSDNSA-N 1 3 356.514 2.644 20 0 FFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423855164 514264309 /nfs/dbraw/zinc/26/43/09/514264309.db2.gz YOENOWBOQRMKEQ-KRWDZBQOSA-N 1 3 351.494 2.625 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000417291974 514277221 /nfs/dbraw/zinc/27/72/21/514277221.db2.gz BSVKZEXJPALNEH-OAHLLOKOSA-N 1 3 360.424 2.607 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417298748 514281935 /nfs/dbraw/zinc/28/19/35/514281935.db2.gz QITFKLYDSOURFG-MRXNPFEDSA-N 1 3 372.435 2.607 20 0 FFADHO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772072 514284772 /nfs/dbraw/zinc/28/47/72/514284772.db2.gz SJVNBMWZSRFHPP-GASCZTMLSA-N 1 3 357.479 2.970 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000423916704 514287863 /nfs/dbraw/zinc/28/78/63/514287863.db2.gz ZGOURVXGTJGFQZ-PBASOCQRSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000423916704 514287865 /nfs/dbraw/zinc/28/78/65/514287865.db2.gz ZGOURVXGTJGFQZ-PBASOCQRSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414793502 514296881 /nfs/dbraw/zinc/29/68/81/514296881.db2.gz DNBOZTWVGIDARC-GPMSIDNRSA-N 1 3 357.498 2.949 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000414805836 514302155 /nfs/dbraw/zinc/30/21/55/514302155.db2.gz PVSKKECNLKBFOI-YGRLFVJLSA-N 1 3 367.515 2.586 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000420793942 514302345 /nfs/dbraw/zinc/30/23/45/514302345.db2.gz JWDKXISGZZDIKG-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccsc1 ZINC000420793942 514302348 /nfs/dbraw/zinc/30/23/48/514302348.db2.gz JWDKXISGZZDIKG-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CCCC1 ZINC000417365226 514314667 /nfs/dbraw/zinc/31/46/67/514314667.db2.gz LUXNVLPNKSCHDH-MAUKXSAKSA-N 1 3 364.559 2.777 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417372686 514318525 /nfs/dbraw/zinc/31/85/25/514318525.db2.gz WHALKKVRBSISIK-HZPDHXFCSA-N 1 3 352.548 2.777 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417374664 514320509 /nfs/dbraw/zinc/32/05/09/514320509.db2.gz YISNZMFXJDPYJE-JKSUJKDBSA-N 1 3 352.548 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@H](C)CN1 ZINC000417384075 514325444 /nfs/dbraw/zinc/32/54/44/514325444.db2.gz XGEHNFKBWULFTB-QZTJIDSGSA-N 1 3 358.530 2.954 20 0 FFADHO CC(C)(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H](N)c1ccccc1 ZINC000424047084 514356712 /nfs/dbraw/zinc/35/67/12/514356712.db2.gz UFXGWXXRPIQIQE-VECSYPARSA-N 1 3 355.526 2.982 20 0 FFADHO CC1(C)CCC[N@H+](CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000444888439 514361144 /nfs/dbraw/zinc/36/11/44/514361144.db2.gz QBSCWHIMJVJZRL-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC1(C)CCC[N@@H+](CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000444888439 514361148 /nfs/dbraw/zinc/36/11/48/514361148.db2.gz QBSCWHIMJVJZRL-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO c1cc(CN2CCC(C[NH+]3CCCC3)CC2)ccc1CN1CCOCC1 ZINC000420906891 514367141 /nfs/dbraw/zinc/36/71/41/514367141.db2.gz UDTCITQQIQOMJQ-UHFFFAOYSA-N 1 3 357.542 2.827 20 0 FFADHO COC[C@]1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCN1 ZINC000414949121 514371336 /nfs/dbraw/zinc/37/13/36/514371336.db2.gz YVQLNEXKDNUALZ-LJQANCHMSA-N 1 3 369.912 2.802 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414956221 514375379 /nfs/dbraw/zinc/37/53/79/514375379.db2.gz VASWLJCEOWZTIO-JMSVASOKSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414956221 514375389 /nfs/dbraw/zinc/37/53/89/514375389.db2.gz VASWLJCEOWZTIO-JMSVASOKSA-N 1 3 354.292 2.896 20 0 FFADHO COc1ccc2cc(CNC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)ccc2c1 ZINC000414965517 514379813 /nfs/dbraw/zinc/37/98/13/514379813.db2.gz DAVIVOMSHUKBHX-GOSISDBHSA-N 1 3 367.415 2.774 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415003444 514398043 /nfs/dbraw/zinc/39/80/43/514398043.db2.gz NAGBRCZXVUNMIJ-WBVHZDCISA-N 1 3 356.470 2.656 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cn4cc(C)ccc4n3)CC2)CC1 ZINC000420979809 514417732 /nfs/dbraw/zinc/41/77/32/514417732.db2.gz KQGMSSRBVXIBGJ-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ncc(C)c(OC)c3C)CC2)CC1 ZINC000420984360 514422620 /nfs/dbraw/zinc/42/26/20/514422620.db2.gz SQMLNOSPBMVYBA-UHFFFAOYSA-N 1 3 360.546 2.699 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ncc(C)c(OC)c3C)CC2)CC1 ZINC000420984360 514422625 /nfs/dbraw/zinc/42/26/25/514422625.db2.gz SQMLNOSPBMVYBA-UHFFFAOYSA-N 1 3 360.546 2.699 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ncc(C)c(OC)c3C)CC2)CC1 ZINC000420984360 514422633 /nfs/dbraw/zinc/42/26/33/514422633.db2.gz SQMLNOSPBMVYBA-UHFFFAOYSA-N 1 3 360.546 2.699 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000415078707 514433358 /nfs/dbraw/zinc/43/33/58/514433358.db2.gz GTRVOYBUFHHNKV-HXUWFJFHSA-N 1 3 367.493 2.553 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCN3CCc4ccccc43)CC2)C[C@@H](C)O1 ZINC000428249505 514433848 /nfs/dbraw/zinc/43/38/48/514433848.db2.gz XZZFYYJGGXBUJU-RTBURBONSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417621734 514440273 /nfs/dbraw/zinc/44/02/73/514440273.db2.gz LCFRGCKVPGWNAN-ZWKOTPCHSA-N 1 3 358.530 2.954 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000428294698 514441605 /nfs/dbraw/zinc/44/16/05/514441605.db2.gz NHSWKSJEYONAKP-UHFFFAOYSA-N 1 3 366.509 2.947 20 0 FFADHO C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000415107871 514446373 /nfs/dbraw/zinc/44/63/73/514446373.db2.gz PNPKZHGLHIPMDF-UONOGXRCSA-N 1 3 357.420 2.596 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)N(C)[C@@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424300536 514450164 /nfs/dbraw/zinc/45/01/64/514450164.db2.gz WPKQCMAYDWDXPY-YLJYHZDGSA-N 1 3 355.526 2.986 20 0 FFADHO CCOCc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415120893 514453061 /nfs/dbraw/zinc/45/30/61/514453061.db2.gz GMZMHZPSNZJILU-CTNGQTDRSA-N 1 3 362.514 2.950 20 0 FFADHO Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000424321746 514455693 /nfs/dbraw/zinc/45/56/93/514455693.db2.gz SSYSNRJTHRUHDN-RXZUFOQRSA-N 1 3 366.509 2.750 20 0 FFADHO Cc1ccc(NC(=O)NC2CCC([NH+](C)C)CC2)c(OCCN(C)C)c1 ZINC000421058102 514463429 /nfs/dbraw/zinc/46/34/29/514463429.db2.gz MDVKFCQHSSITJC-UHFFFAOYSA-N 1 3 362.518 2.930 20 0 FFADHO COc1cc(OC)cc(Oc2ccc(CN3CCC(O)(C[NH3+])CC3)cc2)c1 ZINC000415142232 514466022 /nfs/dbraw/zinc/46/60/22/514466022.db2.gz PNVWPVQZDMKRJD-UHFFFAOYSA-N 1 3 372.465 2.782 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000433365673 514473577 /nfs/dbraw/zinc/47/35/77/514473577.db2.gz XGDKFNUENQVMNE-TYPHKJRUSA-N 1 3 370.541 2.940 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000433365673 514473580 /nfs/dbraw/zinc/47/35/80/514473580.db2.gz XGDKFNUENQVMNE-TYPHKJRUSA-N 1 3 370.541 2.940 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000465917852 514519712 /nfs/dbraw/zinc/51/97/12/514519712.db2.gz JPYFDASUCKCLMJ-INDMIFKZSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000465917852 514519714 /nfs/dbraw/zinc/51/97/14/514519714.db2.gz JPYFDASUCKCLMJ-INDMIFKZSA-N 1 3 352.567 2.869 20 0 FFADHO CCCN(CC[NH+](CC)CC)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000461193227 514535736 /nfs/dbraw/zinc/53/57/36/514535736.db2.gz HDSJVCQMVSPVDF-UHFFFAOYSA-N 1 3 353.551 2.602 20 0 FFADHO COCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453108043 514546088 /nfs/dbraw/zinc/54/60/88/514546088.db2.gz KGDSWTMRQJRERK-CBPXPLCBSA-N 1 3 357.542 2.740 20 0 FFADHO COCCN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453108043 514546096 /nfs/dbraw/zinc/54/60/96/514546096.db2.gz KGDSWTMRQJRERK-CBPXPLCBSA-N 1 3 357.542 2.740 20 0 FFADHO COCCN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453108043 514546099 /nfs/dbraw/zinc/54/60/99/514546099.db2.gz KGDSWTMRQJRERK-CBPXPLCBSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000466040239 514546410 /nfs/dbraw/zinc/54/64/10/514546410.db2.gz UIRVMPGHIWYCEC-HBFSDRIKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000466040239 514546418 /nfs/dbraw/zinc/54/64/18/514546418.db2.gz UIRVMPGHIWYCEC-HBFSDRIKSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000466148169 514566399 /nfs/dbraw/zinc/56/63/99/514566399.db2.gz ZYDFNLYJZGWPHA-FFZOFVMBSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000466151091 514566756 /nfs/dbraw/zinc/56/67/56/514566756.db2.gz YOPUMCVVYBSEED-IEBWSBKVSA-N 1 3 362.562 2.957 20 0 FFADHO COc1ccc([C@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000475137781 514569530 /nfs/dbraw/zinc/56/95/30/514569530.db2.gz SUTHPGRVQKDEJG-OXJNMPFZSA-N 1 3 355.482 2.765 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC(C(F)F)CC3)CC2)CC1 ZINC000458121903 514576239 /nfs/dbraw/zinc/57/62/39/514576239.db2.gz IGVSSFZVXJQJJM-UHFFFAOYSA-N 1 3 372.504 2.668 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000461719687 514702973 /nfs/dbraw/zinc/70/29/73/514702973.db2.gz CFIVBFIIJZNBBN-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000489090932 514705892 /nfs/dbraw/zinc/70/58/92/514705892.db2.gz XKKUKXROJWOIOB-WIYYLYMNSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000489090932 514705901 /nfs/dbraw/zinc/70/59/01/514705901.db2.gz XKKUKXROJWOIOB-WIYYLYMNSA-N 1 3 356.514 2.577 20 0 FFADHO [NH3+]CCCN(CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000479786173 514723585 /nfs/dbraw/zinc/72/35/85/514723585.db2.gz UJYVYGIDNJFFCQ-UHFFFAOYSA-N 1 3 354.454 2.576 20 0 FFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000498112190 514766139 /nfs/dbraw/zinc/76/61/39/514766139.db2.gz RMIZKWBNTKIDIH-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489293579 514786234 /nfs/dbraw/zinc/78/62/34/514786234.db2.gz NLGBBZSCJDIBAM-LMCOJAPRSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489366738 514819022 /nfs/dbraw/zinc/81/90/22/514819022.db2.gz KLWOIHRLPGKCNW-MJGOQNOKSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489366738 514819039 /nfs/dbraw/zinc/81/90/39/514819039.db2.gz KLWOIHRLPGKCNW-MJGOQNOKSA-N 1 3 362.562 2.767 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000471379244 514857548 /nfs/dbraw/zinc/85/75/48/514857548.db2.gz FTYHVVCJFJCLDI-LJQANCHMSA-N 1 3 355.526 2.769 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCCC1 ZINC000471390770 514864015 /nfs/dbraw/zinc/86/40/15/514864015.db2.gz HCLIDIVCPUPCNH-NRSPTQNISA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCCC1 ZINC000471390770 514864021 /nfs/dbraw/zinc/86/40/21/514864021.db2.gz HCLIDIVCPUPCNH-NRSPTQNISA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508700585 514867266 /nfs/dbraw/zinc/86/72/66/514867266.db2.gz RAQPCAKBDVLAJM-NNWRFLSQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@H](CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508700585 514867279 /nfs/dbraw/zinc/86/72/79/514867279.db2.gz RAQPCAKBDVLAJM-NNWRFLSQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508700585 514867289 /nfs/dbraw/zinc/86/72/89/514867289.db2.gz RAQPCAKBDVLAJM-NNWRFLSQSA-N 1 3 359.558 2.843 20 0 FFADHO C[C@H]([NH2+]CCNC(=O)c1cccs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508710668 514871548 /nfs/dbraw/zinc/87/15/48/514871548.db2.gz NGLMJHLDCWBLJO-FUHWJXTLSA-N 1 3 357.523 2.978 20 0 FFADHO C[C@H](NCCNC(=O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508710668 514871555 /nfs/dbraw/zinc/87/15/55/514871555.db2.gz NGLMJHLDCWBLJO-FUHWJXTLSA-N 1 3 357.523 2.978 20 0 FFADHO C[C@H](NCCNC(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710668 514871564 /nfs/dbraw/zinc/87/15/64/514871564.db2.gz NGLMJHLDCWBLJO-FUHWJXTLSA-N 1 3 357.523 2.978 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000503050393 514898147 /nfs/dbraw/zinc/89/81/47/514898147.db2.gz KNTAYQQSUHLGKB-LEWJYISDSA-N 1 3 351.494 2.871 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000503050395 514898874 /nfs/dbraw/zinc/89/88/74/514898874.db2.gz KNTAYQQSUHLGKB-RTWAWAEBSA-N 1 3 351.494 2.871 20 0 FFADHO COC1(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCCCC1 ZINC000480336375 514925117 /nfs/dbraw/zinc/92/51/17/514925117.db2.gz OGXWJSLPMRLRHP-UHFFFAOYSA-N 1 3 373.541 2.951 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000508867890 514927133 /nfs/dbraw/zinc/92/71/33/514927133.db2.gz UFRKMLOWWQMLMZ-ZULIPRJHSA-N 1 3 358.530 2.946 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1 ZINC000498505445 514937251 /nfs/dbraw/zinc/93/72/51/514937251.db2.gz UNYGKFLCIAAQOC-IBGZPJMESA-N 1 3 374.573 2.674 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1 ZINC000498505445 514937261 /nfs/dbraw/zinc/93/72/61/514937261.db2.gz UNYGKFLCIAAQOC-IBGZPJMESA-N 1 3 374.573 2.674 20 0 FFADHO C[C@H](CC[NH+]1CCN(C)CC1)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000471595038 514945273 /nfs/dbraw/zinc/94/52/73/514945273.db2.gz RZVAMXCUHWWFQT-VXGBXAGGSA-N 1 3 350.454 2.839 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508898926 514946801 /nfs/dbraw/zinc/94/68/01/514946801.db2.gz MVOHDELGXUOMTC-CMKODMSKSA-N 1 3 360.546 2.969 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000508898926 514946811 /nfs/dbraw/zinc/94/68/11/514946811.db2.gz MVOHDELGXUOMTC-CMKODMSKSA-N 1 3 360.546 2.969 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458634531 514974301 /nfs/dbraw/zinc/97/43/01/514974301.db2.gz ATTOFXAUYQYQDL-HKUYNNGSSA-N 1 3 360.546 2.927 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000485390742 515019268 /nfs/dbraw/zinc/01/92/68/515019268.db2.gz VDUVNBOMWLMBMB-HBFSDRIKSA-N 1 3 358.530 2.805 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000485390742 515019275 /nfs/dbraw/zinc/01/92/75/515019275.db2.gz VDUVNBOMWLMBMB-HBFSDRIKSA-N 1 3 358.530 2.805 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000472000557 515081229 /nfs/dbraw/zinc/08/12/29/515081229.db2.gz UXMOFOUFIRAHHK-NSHGMRRFSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@@]1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCC[NH2+]1 ZINC000467707148 515086930 /nfs/dbraw/zinc/08/69/30/515086930.db2.gz NWSVTRQVLKTAJO-NRFANRHFSA-N 1 3 356.514 2.689 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000480902030 515130504 /nfs/dbraw/zinc/13/05/04/515130504.db2.gz VCHRWOCAZGUNDD-PKOBYXMFSA-N 1 3 353.551 2.552 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000480902030 515130517 /nfs/dbraw/zinc/13/05/17/515130517.db2.gz VCHRWOCAZGUNDD-PKOBYXMFSA-N 1 3 353.551 2.552 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN(C2CCC2)C1 ZINC000490185866 515132820 /nfs/dbraw/zinc/13/28/20/515132820.db2.gz BGBCEMQQVAPYTL-SFHVURJKSA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1 ZINC000467863426 515149885 /nfs/dbraw/zinc/14/98/85/515149885.db2.gz KWLJQJYJBRRPNO-IBGZPJMESA-N 1 3 353.938 2.771 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccco1 ZINC000480971428 515156286 /nfs/dbraw/zinc/15/62/86/515156286.db2.gz NQGWRTLXBXUCFL-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000509396615 515156729 /nfs/dbraw/zinc/15/67/29/515156729.db2.gz LDYONIJGVPVNLV-YOEHRIQHSA-N 1 3 357.420 2.507 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458887305 515173935 /nfs/dbraw/zinc/17/39/35/515173935.db2.gz IAYNXKUZAROPEH-GOSISDBHSA-N 1 3 366.575 2.994 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000458934906 515212354 /nfs/dbraw/zinc/21/23/54/515212354.db2.gz KKACSRNVHGPRGY-SFHVURJKSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000499126513 515212520 /nfs/dbraw/zinc/21/25/20/515212520.db2.gz WVMDVDKILWTUDN-RSPOEFSDSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000499187669 515230761 /nfs/dbraw/zinc/23/07/61/515230761.db2.gz JMGZOHSDZBCSOM-CEWLAPEOSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000499187669 515230768 /nfs/dbraw/zinc/23/07/68/515230768.db2.gz JMGZOHSDZBCSOM-CEWLAPEOSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000499199956 515233268 /nfs/dbraw/zinc/23/32/68/515233268.db2.gz ACRYQBHEASCZDS-VQIMIIECSA-N 1 3 364.509 2.706 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000499199956 515233273 /nfs/dbraw/zinc/23/32/73/515233273.db2.gz ACRYQBHEASCZDS-VQIMIIECSA-N 1 3 364.509 2.706 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CN1Cc1ccccc1 ZINC000499195294 515234854 /nfs/dbraw/zinc/23/48/54/515234854.db2.gz TYTWMOKWRZYAOE-QCFAMHMHSA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccco1 ZINC000499211039 515240740 /nfs/dbraw/zinc/24/07/40/515240740.db2.gz MEBCDBUQPCMEKE-KSZLIROESA-N 1 3 364.534 2.986 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000499211039 515240751 /nfs/dbraw/zinc/24/07/51/515240751.db2.gz MEBCDBUQPCMEKE-KSZLIROESA-N 1 3 364.534 2.986 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000499318892 515283496 /nfs/dbraw/zinc/28/34/96/515283496.db2.gz FJUAHJOXTXTGQX-YOEHRIQHSA-N 1 3 352.498 2.704 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486246287 515398951 /nfs/dbraw/zinc/39/89/51/515398951.db2.gz URKCBECZWFHGFA-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486246287 515398958 /nfs/dbraw/zinc/39/89/58/515398958.db2.gz URKCBECZWFHGFA-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000459274985 515439111 /nfs/dbraw/zinc/43/91/11/515439111.db2.gz ZUFSPYHEMIECPZ-LJQANCHMSA-N 1 3 350.551 2.626 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000459274985 515439115 /nfs/dbraw/zinc/43/91/15/515439115.db2.gz ZUFSPYHEMIECPZ-LJQANCHMSA-N 1 3 350.551 2.626 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000510384221 515524409 /nfs/dbraw/zinc/52/44/09/515524409.db2.gz JIFFXQRRMALKOV-RBUKOAKNSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000510384221 515524418 /nfs/dbraw/zinc/52/44/18/515524418.db2.gz JIFFXQRRMALKOV-RBUKOAKNSA-N 1 3 372.557 2.679 20 0 FFADHO NC(=O)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1Cl ZINC000459473135 515577090 /nfs/dbraw/zinc/57/70/90/515577090.db2.gz AVNRNNDVRSFUIN-INIZCTEOSA-N 1 3 372.900 2.638 20 0 FFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000459531580 515624710 /nfs/dbraw/zinc/62/47/10/515624710.db2.gz QODBOOMXFVOWOX-MRXNPFEDSA-N 1 3 350.466 2.571 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000454648507 515637947 /nfs/dbraw/zinc/63/79/47/515637947.db2.gz RSLDRTKTLMIUIO-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000454648507 515637960 /nfs/dbraw/zinc/63/79/60/515637960.db2.gz RSLDRTKTLMIUIO-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO C/C(=C/c1ccccc1)CN[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000500428535 515706384 /nfs/dbraw/zinc/70/63/84/515706384.db2.gz KJRKHMKQOXUZOI-MHZRJXOASA-N 1 3 365.521 2.969 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNCc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000459733605 515777343 /nfs/dbraw/zinc/77/73/43/515777343.db2.gz NYJGEPWCWCETHZ-SFHVURJKSA-N 1 3 359.514 2.509 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNCc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000459733605 515777350 /nfs/dbraw/zinc/77/73/50/515777350.db2.gz NYJGEPWCWCETHZ-SFHVURJKSA-N 1 3 359.514 2.509 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000500870642 515890077 /nfs/dbraw/zinc/89/00/77/515890077.db2.gz UQEMZIGZDOJCCK-NRFANRHFSA-N 1 3 372.557 2.999 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000500870642 515890085 /nfs/dbraw/zinc/89/00/85/515890085.db2.gz UQEMZIGZDOJCCK-NRFANRHFSA-N 1 3 372.557 2.999 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000487533541 515896386 /nfs/dbraw/zinc/89/63/86/515896386.db2.gz GUCVJMJAHYEQDX-FXAWDEMLSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000487533541 515896396 /nfs/dbraw/zinc/89/63/96/515896396.db2.gz GUCVJMJAHYEQDX-FXAWDEMLSA-N 1 3 358.530 2.805 20 0 FFADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000494618938 515898525 /nfs/dbraw/zinc/89/85/25/515898525.db2.gz GEODZVACLQULMM-UWJYYQICSA-N 1 3 369.509 2.844 20 0 FFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487544498 515899746 /nfs/dbraw/zinc/89/97/46/515899746.db2.gz WZIOQZIVHOIEAK-QGZVKYPTSA-N 1 3 358.530 2.661 20 0 FFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487544498 515899757 /nfs/dbraw/zinc/89/97/57/515899757.db2.gz WZIOQZIVHOIEAK-QGZVKYPTSA-N 1 3 358.530 2.661 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000457540578 515955775 /nfs/dbraw/zinc/95/57/75/515955775.db2.gz OVOFFGVTHONFIP-FQEVSTJZSA-N 1 3 358.530 2.907 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)[C@H](C)C1 ZINC000469791606 515968363 /nfs/dbraw/zinc/96/83/63/515968363.db2.gz SRFHYFKPSIEZHW-QYZOEREBSA-N 1 3 355.567 2.747 20 0 FFADHO CN(CCCNC(=O)c1ccc2c(c1)CC[NH2+]CC2)Cc1ccccc1 ZINC000474294194 515975955 /nfs/dbraw/zinc/97/59/55/515975955.db2.gz UAGGHYKYXHCJKL-UHFFFAOYSA-N 1 3 351.494 2.627 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474308615 515984753 /nfs/dbraw/zinc/98/47/53/515984753.db2.gz UVZNMIXKBIJEJG-JTSKRJEESA-N 1 3 363.505 2.940 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@@H](C)C1 ZINC000487818521 515991996 /nfs/dbraw/zinc/99/19/96/515991996.db2.gz JCKFGWDIONOSLO-ABSDTBQOSA-N 1 3 358.530 2.620 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487836780 516001159 /nfs/dbraw/zinc/00/11/59/516001159.db2.gz LQJDYNJZAJKFAA-QGZVKYPTSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487836780 516001162 /nfs/dbraw/zinc/00/11/62/516001162.db2.gz LQJDYNJZAJKFAA-QGZVKYPTSA-N 1 3 358.530 2.679 20 0 FFADHO CCCOc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469859832 516001752 /nfs/dbraw/zinc/00/17/52/516001752.db2.gz CCPAQOKMFQEDOO-ICSRJNTNSA-N 1 3 359.514 2.556 20 0 FFADHO CC(C)COc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469868161 516005868 /nfs/dbraw/zinc/00/58/68/516005868.db2.gz YAZQWVZDQDXJNZ-FPOVZHCZSA-N 1 3 373.541 2.802 20 0 FFADHO CCN1CCN(c2ccccc2CN(CC[NH3+])Cc2ccccc2)CC1 ZINC000469868854 516008972 /nfs/dbraw/zinc/00/89/72/516008972.db2.gz AQYSCNILVRCBSG-UHFFFAOYSA-N 1 3 352.526 2.789 20 0 FFADHO C[NH+](C)CC1(C(=O)NCC2(N3CCSCC3)CCCC2)CCCCC1 ZINC000460199098 516064675 /nfs/dbraw/zinc/06/46/75/516064675.db2.gz SLOHNYKQCSLPCG-UHFFFAOYSA-N 1 3 367.603 2.976 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)C1 ZINC000457704658 516084688 /nfs/dbraw/zinc/08/46/88/516084688.db2.gz GQOPGASGVZGRKF-JOCHJYFZSA-N 1 3 370.541 2.562 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)C1 ZINC000457704658 516084696 /nfs/dbraw/zinc/08/46/96/516084696.db2.gz GQOPGASGVZGRKF-JOCHJYFZSA-N 1 3 370.541 2.562 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000457734545 516108134 /nfs/dbraw/zinc/10/81/34/516108134.db2.gz FQDNFVNTNYNZED-IBGZPJMESA-N 1 3 358.530 2.997 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000501512163 516134387 /nfs/dbraw/zinc/13/43/87/516134387.db2.gz IHMMDACJBBVCPX-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457804739 516159370 /nfs/dbraw/zinc/15/93/70/516159370.db2.gz UNDGGTZSYRDXEH-UXHICEINSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457804739 516159381 /nfs/dbraw/zinc/15/93/81/516159381.db2.gz UNDGGTZSYRDXEH-UXHICEINSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483675746 516164875 /nfs/dbraw/zinc/16/48/75/516164875.db2.gz AGLIDZVRJRRHRT-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483675746 516164880 /nfs/dbraw/zinc/16/48/80/516164880.db2.gz AGLIDZVRJRRHRT-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO COCCSCCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000488242140 516172556 /nfs/dbraw/zinc/17/25/56/516172556.db2.gz GNBHOHQAZITWQI-ROUUACIJSA-N 1 3 358.592 2.967 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000501721948 516205717 /nfs/dbraw/zinc/20/57/17/516205717.db2.gz XIIVXAWBQVQPCQ-ROUUACIJSA-N 1 3 360.546 2.915 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000507430782 516209549 /nfs/dbraw/zinc/20/95/49/516209549.db2.gz SLMDODWBGSBSTE-CEWLAPEOSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000507430782 516209555 /nfs/dbraw/zinc/20/95/55/516209555.db2.gz SLMDODWBGSBSTE-CEWLAPEOSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465629898 516214956 /nfs/dbraw/zinc/21/49/56/516214956.db2.gz JPYSDBCAULLZRU-GOSISDBHSA-N 1 3 372.557 2.649 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465629898 516214960 /nfs/dbraw/zinc/21/49/60/516214960.db2.gz JPYSDBCAULLZRU-GOSISDBHSA-N 1 3 372.557 2.649 20 0 FFADHO CCN1CCN(c2ccccc2CN2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000512294800 516227859 /nfs/dbraw/zinc/22/78/59/516227859.db2.gz YJTMOCBYCUJZHF-OAQYLSRUSA-N 1 3 356.558 2.889 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311131 516234122 /nfs/dbraw/zinc/23/41/22/516234122.db2.gz WDLKAVOCXLZWDY-RDJZCZTQSA-N 1 3 353.457 2.600 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000465778796 516255845 /nfs/dbraw/zinc/25/58/45/516255845.db2.gz IFISZYORPFMNJJ-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000465778796 516255850 /nfs/dbraw/zinc/25/58/50/516255850.db2.gz IFISZYORPFMNJJ-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512627818 516315972 /nfs/dbraw/zinc/31/59/72/516315972.db2.gz BGEPESYYROYBFW-ZHHKINOHSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512627818 516315976 /nfs/dbraw/zinc/31/59/76/516315976.db2.gz BGEPESYYROYBFW-ZHHKINOHSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512627818 516315977 /nfs/dbraw/zinc/31/59/77/516315977.db2.gz BGEPESYYROYBFW-ZHHKINOHSA-N 1 3 357.542 2.597 20 0 FFADHO C[N@@H+]1CC[C@H]2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@@H]2C1 ZINC000497388534 516318442 /nfs/dbraw/zinc/31/84/42/516318442.db2.gz JVMAKDISJRGHQB-AZUAARDMSA-N 1 3 370.541 2.559 20 0 FFADHO C[N@H+]1CC[C@H]2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@@H]2C1 ZINC000497388534 516318443 /nfs/dbraw/zinc/31/84/43/516318443.db2.gz JVMAKDISJRGHQB-AZUAARDMSA-N 1 3 370.541 2.559 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCN4CCSCC4)[C@@H]3C2)cc1 ZINC000512662647 516319258 /nfs/dbraw/zinc/31/92/58/516319258.db2.gz ZGXOYOQEMDJSBD-HBMCJLEFSA-N 1 3 359.583 2.926 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCN4CCSCC4)[C@@H]3C2)cc1 ZINC000512662647 516319261 /nfs/dbraw/zinc/31/92/61/516319261.db2.gz ZGXOYOQEMDJSBD-HBMCJLEFSA-N 1 3 359.583 2.926 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCN4CCSCC4)[C@@H]3C2)cc1 ZINC000512662647 516319264 /nfs/dbraw/zinc/31/92/64/516319264.db2.gz ZGXOYOQEMDJSBD-HBMCJLEFSA-N 1 3 359.583 2.926 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000512673400 516320387 /nfs/dbraw/zinc/32/03/87/516320387.db2.gz QKQUBBQORMNNHM-GXRSIYKFSA-N 1 3 358.526 2.664 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000512673400 516320390 /nfs/dbraw/zinc/32/03/90/516320390.db2.gz QKQUBBQORMNNHM-GXRSIYKFSA-N 1 3 358.526 2.664 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000512673400 516320391 /nfs/dbraw/zinc/32/03/91/516320391.db2.gz QKQUBBQORMNNHM-GXRSIYKFSA-N 1 3 358.526 2.664 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000561008561 516333283 /nfs/dbraw/zinc/33/32/83/516333283.db2.gz OQZRDPMKAKNPOX-RHSMWYFYSA-N 1 3 354.926 2.972 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000561008561 516333291 /nfs/dbraw/zinc/33/32/91/516333291.db2.gz OQZRDPMKAKNPOX-RHSMWYFYSA-N 1 3 354.926 2.972 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522867440 516335923 /nfs/dbraw/zinc/33/59/23/516335923.db2.gz YBISUOFBQZPRMQ-PMACEKPBSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522867440 516335931 /nfs/dbraw/zinc/33/59/31/516335931.db2.gz YBISUOFBQZPRMQ-PMACEKPBSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000531246376 516371011 /nfs/dbraw/zinc/37/10/11/516371011.db2.gz RASYQBUIYZGPHX-XBMUEBEBSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000531246376 516371015 /nfs/dbraw/zinc/37/10/15/516371015.db2.gz RASYQBUIYZGPHX-XBMUEBEBSA-N 1 3 350.551 2.623 20 0 FFADHO CN(CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1cc[nH+]cc1 ZINC000543716164 516387741 /nfs/dbraw/zinc/38/77/41/516387741.db2.gz FXGUNRCEZJXWOZ-FQEVSTJZSA-N 1 3 352.482 2.861 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc(Cl)sc1Cl ZINC000540015987 516402023 /nfs/dbraw/zinc/40/20/23/516402023.db2.gz GUVYPDONTFFFGS-UHFFFAOYSA-N 1 3 367.346 2.690 20 0 FFADHO CN(CCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000535678104 516447128 /nfs/dbraw/zinc/44/71/28/516447128.db2.gz XJNVDYCVGDNTAD-UHFFFAOYSA-N 1 3 370.541 2.778 20 0 FFADHO CN(CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000535678104 516447134 /nfs/dbraw/zinc/44/71/34/516447134.db2.gz XJNVDYCVGDNTAD-UHFFFAOYSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523352651 516447507 /nfs/dbraw/zinc/44/75/07/516447507.db2.gz AYTHPTGLSXSUIL-AZUAARDMSA-N 1 3 372.557 2.920 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523352651 516447515 /nfs/dbraw/zinc/44/75/15/516447515.db2.gz AYTHPTGLSXSUIL-AZUAARDMSA-N 1 3 372.557 2.920 20 0 FFADHO NC[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc2ccccc2c1 ZINC000561215076 516457001 /nfs/dbraw/zinc/45/70/01/516457001.db2.gz YUUZDEBNQQPEBR-CTNGQTDRSA-N 1 3 352.482 2.625 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)N(C)Cc1ccccc1 ZINC000557853210 516470127 /nfs/dbraw/zinc/47/01/27/516470127.db2.gz ZCTDHGVNXIXOTM-NSHGMRRFSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531482949 516490542 /nfs/dbraw/zinc/49/05/42/516490542.db2.gz ANDAQCYOCHQWSQ-HMXCVIKNSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531482949 516490553 /nfs/dbraw/zinc/49/05/53/516490553.db2.gz ANDAQCYOCHQWSQ-HMXCVIKNSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc2n[nH]cc2c1 ZINC000513201820 516518465 /nfs/dbraw/zinc/51/84/65/516518465.db2.gz RCEDJGWIASPZGJ-FOIQADDNSA-N 1 3 365.481 2.633 20 0 FFADHO CC[NH+]1CCC(CNCc2c(Cl)cccc2N2CCN(C)CC2)CC1 ZINC000554585912 516525456 /nfs/dbraw/zinc/52/54/56/516525456.db2.gz LQAAQFSOOJBRAA-UHFFFAOYSA-N 1 3 364.965 2.913 20 0 FFADHO C[N@H+](CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)C1CCCCC1 ZINC000547735957 516528714 /nfs/dbraw/zinc/52/87/14/516528714.db2.gz LELUIXUYLJFAPB-OAQYLSRUSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@@H+](CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)C1CCCCC1 ZINC000547735957 516528723 /nfs/dbraw/zinc/52/87/23/516528723.db2.gz LELUIXUYLJFAPB-OAQYLSRUSA-N 1 3 373.541 2.524 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000523789349 516579586 /nfs/dbraw/zinc/57/95/86/516579586.db2.gz IMBVMXBVVRFVFA-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000523789349 516579597 /nfs/dbraw/zinc/57/95/97/516579597.db2.gz IMBVMXBVVRFVFA-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000554744052 516615868 /nfs/dbraw/zinc/61/58/68/516615868.db2.gz SURWKNACBMCPOE-INIZCTEOSA-N 1 3 368.953 2.791 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528715833 516640523 /nfs/dbraw/zinc/64/05/23/516640523.db2.gz PAGIOPXDESEJHS-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO CN1CCC[C@H]1CC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528718428 516641845 /nfs/dbraw/zinc/64/18/45/516641845.db2.gz MQURJGMOCKJGQM-SFHVURJKSA-N 1 3 362.518 2.702 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528718983 516642980 /nfs/dbraw/zinc/64/29/80/516642980.db2.gz HLYZUFKCELHFSY-LPHOPBHVSA-N 1 3 370.497 2.649 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528718983 516642991 /nfs/dbraw/zinc/64/29/91/516642991.db2.gz HLYZUFKCELHFSY-LPHOPBHVSA-N 1 3 370.497 2.649 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000518395869 516643253 /nfs/dbraw/zinc/64/32/53/516643253.db2.gz UTQOPHBXMYPWRZ-WIYYLYMNSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000518395869 516643262 /nfs/dbraw/zinc/64/32/62/516643262.db2.gz UTQOPHBXMYPWRZ-WIYYLYMNSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528718857 516643749 /nfs/dbraw/zinc/64/37/49/516643749.db2.gz ZMRRXAMZZSNFPO-OAHLLOKOSA-N 1 3 360.502 2.801 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528718857 516643756 /nfs/dbraw/zinc/64/37/56/516643756.db2.gz ZMRRXAMZZSNFPO-OAHLLOKOSA-N 1 3 360.502 2.801 20 0 FFADHO C[C@@H](CCNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000544299514 516687019 /nfs/dbraw/zinc/68/70/19/516687019.db2.gz IKVWOMARNNIAPT-IBGZPJMESA-N 1 3 372.557 2.999 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c(OC)c1 ZINC000524370783 516703039 /nfs/dbraw/zinc/70/30/39/516703039.db2.gz AWMRQEWLEGHJLQ-SFFCAUCYSA-N 1 3 362.514 2.742 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)Cc1ccco1 ZINC000561728848 516735063 /nfs/dbraw/zinc/73/50/63/516735063.db2.gz PAXARKZNTMRQQG-SFHVURJKSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)Cc1ccco1 ZINC000561728848 516735066 /nfs/dbraw/zinc/73/50/66/516735066.db2.gz PAXARKZNTMRQQG-SFHVURJKSA-N 1 3 362.518 2.760 20 0 FFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCN1CCN(C)CC1)CC3 ZINC000540908549 516765286 /nfs/dbraw/zinc/76/52/86/516765286.db2.gz ICANVSZHMBZRGQ-GOSISDBHSA-N 1 3 354.542 2.951 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCN(C)c1ccncc1 ZINC000540927052 516776474 /nfs/dbraw/zinc/77/64/74/516776474.db2.gz ZHSBKYUCWGVKCW-RXVVDRJESA-N 1 3 366.509 2.935 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCN(C)c1ccncc1 ZINC000540927052 516776479 /nfs/dbraw/zinc/77/64/79/516776479.db2.gz ZHSBKYUCWGVKCW-RXVVDRJESA-N 1 3 366.509 2.935 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540929268 516778981 /nfs/dbraw/zinc/77/89/81/516778981.db2.gz ZSIFQZQYCBMYFB-UHFFFAOYSA-N 1 3 358.461 2.637 20 0 FFADHO CCN(CCNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000518810906 516783628 /nfs/dbraw/zinc/78/36/28/516783628.db2.gz BNMCZCWZOZOKAW-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO CCN(CCNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000518810906 516783640 /nfs/dbraw/zinc/78/36/40/516783640.db2.gz BNMCZCWZOZOKAW-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO CC1CC[NH+](CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000555133818 516797137 /nfs/dbraw/zinc/79/71/37/516797137.db2.gz XWGGOVHAGHDNLI-GOSISDBHSA-N 1 3 366.937 2.974 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000551645692 516801599 /nfs/dbraw/zinc/80/15/99/516801599.db2.gz XNMBVZLNRMROJC-FQEVSTJZSA-N 1 3 370.541 2.777 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000551645692 516801607 /nfs/dbraw/zinc/80/16/07/516801607.db2.gz XNMBVZLNRMROJC-FQEVSTJZSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)C[C@H](C)O1 ZINC000536710881 516906134 /nfs/dbraw/zinc/90/61/34/516906134.db2.gz ZIAWWZSGLWLFEU-IRXDYDNUSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000514232279 516915854 /nfs/dbraw/zinc/91/58/54/516915854.db2.gz JWDZWOLPWIBMEV-KZNAEPCWSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H]1c2ccccc2CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000541186699 516919314 /nfs/dbraw/zinc/91/93/14/516919314.db2.gz LBFPORZTNIFJQB-INIZCTEOSA-N 1 3 356.514 2.831 20 0 FFADHO Cc1ccc(SC[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000548434939 516982818 /nfs/dbraw/zinc/98/28/18/516982818.db2.gz MEPMBIYREPNPFN-QGZVFWFLSA-N 1 3 366.575 2.610 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000562253238 516985478 /nfs/dbraw/zinc/98/54/78/516985478.db2.gz CJVNILCOIVBLKZ-KRWDZBQOSA-N 1 3 361.534 2.718 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000562253238 516985487 /nfs/dbraw/zinc/98/54/87/516985487.db2.gz CJVNILCOIVBLKZ-KRWDZBQOSA-N 1 3 361.534 2.718 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C(C)C ZINC000558941058 517011116 /nfs/dbraw/zinc/01/11/16/517011116.db2.gz ULBXMBPHIHUNAQ-KRWDZBQOSA-N 1 3 354.926 2.972 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C(C)C ZINC000558941058 517011124 /nfs/dbraw/zinc/01/11/24/517011124.db2.gz ULBXMBPHIHUNAQ-KRWDZBQOSA-N 1 3 354.926 2.972 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000562294810 517013121 /nfs/dbraw/zinc/01/31/21/517013121.db2.gz LBGYETRVSDFYSC-DFQSSKMNSA-N 1 3 373.545 2.560 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000562294810 517013129 /nfs/dbraw/zinc/01/31/29/517013129.db2.gz LBGYETRVSDFYSC-DFQSSKMNSA-N 1 3 373.545 2.560 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529301711 517064197 /nfs/dbraw/zinc/06/41/97/517064197.db2.gz VGKMSXMHEQSZEX-WBVHZDCISA-N 1 3 362.543 2.544 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529311605 517070944 /nfs/dbraw/zinc/07/09/44/517070944.db2.gz WXOMRLCPCHIEHI-LPHOPBHVSA-N 1 3 356.514 2.796 20 0 FFADHO CC1=CCN(CCNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000545152906 517074594 /nfs/dbraw/zinc/07/45/94/517074594.db2.gz BGPBQNMSSWFIIG-GOSISDBHSA-N 1 3 371.529 2.558 20 0 FFADHO COc1cccc2cc([C@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)oc21 ZINC000537293667 517132363 /nfs/dbraw/zinc/13/23/63/517132363.db2.gz ZXXHLVKWIKQLOG-GOEBONIOSA-N 1 3 359.470 2.679 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000519726790 517148932 /nfs/dbraw/zinc/14/89/32/517148932.db2.gz NQFLDHSPIRKDIK-MRXNPFEDSA-N 1 3 361.530 2.943 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000541786793 517214585 /nfs/dbraw/zinc/21/45/85/517214585.db2.gz HKUNFUHOTRACMJ-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000541786793 517214594 /nfs/dbraw/zinc/21/45/94/517214594.db2.gz HKUNFUHOTRACMJ-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO Cc1cc(Br)cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525890202 517220554 /nfs/dbraw/zinc/22/05/54/517220554.db2.gz LDUCHEIZPHZVKC-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000519973773 517252615 /nfs/dbraw/zinc/25/26/15/517252615.db2.gz DVZJTKVJFNVSAJ-QGZVFWFLSA-N 1 3 360.546 2.853 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000520004226 517257982 /nfs/dbraw/zinc/25/79/82/517257982.db2.gz VRWFRBUQEZKQDZ-GOSISDBHSA-N 1 3 360.546 2.723 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000515221348 517260312 /nfs/dbraw/zinc/26/03/12/517260312.db2.gz YFOVWWLFLDCBNT-CEWLAPEOSA-N 1 3 370.541 2.728 20 0 FFADHO CN1CC[C@H](CNC[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515235242 517266264 /nfs/dbraw/zinc/26/62/64/517266264.db2.gz XMIIECHJISJISL-OGWOLHLISA-N 1 3 369.912 2.517 20 0 FFADHO CN1CC[C@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515235242 517266268 /nfs/dbraw/zinc/26/62/68/517266268.db2.gz XMIIECHJISJISL-OGWOLHLISA-N 1 3 369.912 2.517 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520377830 517367934 /nfs/dbraw/zinc/36/79/34/517367934.db2.gz QVLGCLDBWABEKK-QRVBRYPASA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520377830 517367943 /nfs/dbraw/zinc/36/79/43/517367943.db2.gz QVLGCLDBWABEKK-QRVBRYPASA-N 1 3 360.546 2.927 20 0 FFADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000542136512 517400326 /nfs/dbraw/zinc/40/03/26/517400326.db2.gz DVXCCUVTRASSLX-HNNXBMFYSA-N 1 3 361.486 2.654 20 0 FFADHO COC[C@H](O)CN[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549116846 517408220 /nfs/dbraw/zinc/40/82/20/517408220.db2.gz REUYSVIHAILYQS-ROUSISIUSA-N 1 3 352.906 2.851 20 0 FFADHO COC[C@H](O)CN[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549116846 517408231 /nfs/dbraw/zinc/40/82/31/517408231.db2.gz REUYSVIHAILYQS-ROUSISIUSA-N 1 3 352.906 2.851 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@H](C)C1 ZINC000537992236 517427313 /nfs/dbraw/zinc/42/73/13/517427313.db2.gz WESVSUADYAOJAR-DYESRHJHSA-N 1 3 373.541 2.805 20 0 FFADHO CC(C)(C)N1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000562820998 517433147 /nfs/dbraw/zinc/43/31/47/517433147.db2.gz SCFMOENGUPGRHL-UHFFFAOYSA-N 1 3 362.562 2.656 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000538063702 517454745 /nfs/dbraw/zinc/45/47/45/517454745.db2.gz XDXZQMRTIPAQIY-LJQANCHMSA-N 1 3 360.502 2.848 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000520734985 517494675 /nfs/dbraw/zinc/49/46/75/517494675.db2.gz YLOATSOWZASZIR-NRSPTQNISA-N 1 3 373.541 2.673 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000520734985 517494683 /nfs/dbraw/zinc/49/46/83/517494683.db2.gz YLOATSOWZASZIR-NRSPTQNISA-N 1 3 373.541 2.673 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)CCCC2)CC1 ZINC000520770767 517508611 /nfs/dbraw/zinc/50/86/11/517508611.db2.gz QJBDEAPESCZKHA-KURKYZTESA-N 1 3 365.562 2.788 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000520881753 517542261 /nfs/dbraw/zinc/54/22/61/517542261.db2.gz CKYVYXXIJZCJRO-PWRODBHTSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000520881753 517542274 /nfs/dbraw/zinc/54/22/74/517542274.db2.gz CKYVYXXIJZCJRO-PWRODBHTSA-N 1 3 370.541 2.967 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(Br)o1 ZINC000520892956 517544585 /nfs/dbraw/zinc/54/45/85/517544585.db2.gz LEVFNJGBHZUQKE-AWEZNQCLSA-N 1 3 358.324 2.890 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(Br)o1 ZINC000520892956 517544589 /nfs/dbraw/zinc/54/45/89/517544589.db2.gz LEVFNJGBHZUQKE-AWEZNQCLSA-N 1 3 358.324 2.890 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@@]3(CCN(CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000538348843 517579793 /nfs/dbraw/zinc/57/97/93/517579793.db2.gz YMVQDJAWQRNVOZ-ZRBLBEILSA-N 1 3 369.553 2.838 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000538348843 517579799 /nfs/dbraw/zinc/57/97/99/517579799.db2.gz YMVQDJAWQRNVOZ-ZRBLBEILSA-N 1 3 369.553 2.838 20 0 FFADHO c1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000538348843 517579804 /nfs/dbraw/zinc/57/98/04/517579804.db2.gz YMVQDJAWQRNVOZ-ZRBLBEILSA-N 1 3 369.553 2.838 20 0 FFADHO c1ccc(CN2CCC[C@@]3(CC[N@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000538348843 517579812 /nfs/dbraw/zinc/57/98/12/517579812.db2.gz YMVQDJAWQRNVOZ-ZRBLBEILSA-N 1 3 369.553 2.838 20 0 FFADHO c1ncn(-c2cccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)n1 ZINC000521025747 517583201 /nfs/dbraw/zinc/58/32/01/517583201.db2.gz LGQFHFVYFINQGV-CTNGQTDRSA-N 1 3 361.449 2.613 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000549502181 517591096 /nfs/dbraw/zinc/59/10/96/517591096.db2.gz YBBDJHKWZGXFKT-QBIMZIAESA-N 1 3 364.921 2.867 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000549502181 517591107 /nfs/dbraw/zinc/59/11/07/517591107.db2.gz YBBDJHKWZGXFKT-QBIMZIAESA-N 1 3 364.921 2.867 20 0 FFADHO C[C@@H](NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000516167176 517597467 /nfs/dbraw/zinc/59/74/67/517597467.db2.gz QWLRYUCVCKTZOU-FOIQADDNSA-N 1 3 352.482 2.789 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000516167179 517597666 /nfs/dbraw/zinc/59/76/66/517597666.db2.gz QWLRYUCVCKTZOU-QRWLVFNGSA-N 1 3 352.482 2.789 20 0 FFADHO C[C@H](NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000516167181 517597789 /nfs/dbraw/zinc/59/77/89/517597789.db2.gz QWLRYUCVCKTZOU-YWZLYKJASA-N 1 3 352.482 2.789 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOc3ccc(C)cc3)CC2)CC1 ZINC000553269793 517614515 /nfs/dbraw/zinc/61/45/15/517614515.db2.gz LQEBPUCQXQLZDF-UHFFFAOYSA-N 1 3 373.541 2.686 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 ZINC000563125608 517677901 /nfs/dbraw/zinc/67/79/01/517677901.db2.gz OOKQKAGRYOSLNJ-UWJYYQICSA-N 1 3 370.541 2.986 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 ZINC000563125608 517677908 /nfs/dbraw/zinc/67/79/08/517677908.db2.gz OOKQKAGRYOSLNJ-UWJYYQICSA-N 1 3 370.541 2.986 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563153582 517697345 /nfs/dbraw/zinc/69/73/45/517697345.db2.gz BWHSJGKXQXYJDN-OIISXLGYSA-N 1 3 365.468 2.806 20 0 FFADHO CN(CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccncc1 ZINC000542782223 517737269 /nfs/dbraw/zinc/73/72/69/517737269.db2.gz NQOPGOCAJNOYET-UHFFFAOYSA-N 1 3 352.482 2.820 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000538822497 517792952 /nfs/dbraw/zinc/79/29/52/517792952.db2.gz IOXFGZDFQPOPKN-UHFFFAOYSA-N 1 3 370.419 2.752 20 0 FFADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000542916174 517814447 /nfs/dbraw/zinc/81/44/47/517814447.db2.gz XLIUUWYLGHXWTN-OALUTQOASA-N 1 3 365.562 2.600 20 0 FFADHO [NH3+]Cc1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000516867071 517882191 /nfs/dbraw/zinc/88/21/91/517882191.db2.gz HHWPDYWFHTWSBN-UHFFFAOYSA-N 1 3 363.255 2.969 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000557167069 517895337 /nfs/dbraw/zinc/89/53/37/517895337.db2.gz CBXAEZPJECTXAB-AYBZRNKSSA-N 1 3 364.559 2.820 20 0 FFADHO C[C@H](NCCCC[NH+]1CCN(C)CC1)c1ncc(Br)s1 ZINC000534495205 517912734 /nfs/dbraw/zinc/91/27/34/517912734.db2.gz OQMPFMUCYTUGGQ-LBPRGKRZSA-N 1 3 361.353 2.584 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OCCN(C)C)c1 ZINC000563457489 517917118 /nfs/dbraw/zinc/91/71/18/517917118.db2.gz XJUYNPPZIKEVAP-ZWKOTPCHSA-N 1 3 374.529 2.789 20 0 FFADHO NC[C@@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000557223937 517927397 /nfs/dbraw/zinc/92/73/97/517927397.db2.gz OIIVNXXKWGTVAF-CTNGQTDRSA-N 1 3 352.482 2.625 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CNCCO3)N(C)C)cc1 ZINC000563507163 517943704 /nfs/dbraw/zinc/94/37/04/517943704.db2.gz KJUOQOYJYZLSAF-LJQANCHMSA-N 1 3 368.481 2.901 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CNCCO3)[NH+](C)C)cc1 ZINC000563507163 517943708 /nfs/dbraw/zinc/94/37/08/517943708.db2.gz KJUOQOYJYZLSAF-LJQANCHMSA-N 1 3 368.481 2.901 20 0 FFADHO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CNCCO3)N(C)C)cc1 ZINC000563507162 517945044 /nfs/dbraw/zinc/94/50/44/517945044.db2.gz KJUOQOYJYZLSAF-IBGZPJMESA-N 1 3 368.481 2.901 20 0 FFADHO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CNCCO3)[NH+](C)C)cc1 ZINC000563507162 517945049 /nfs/dbraw/zinc/94/50/49/517945049.db2.gz KJUOQOYJYZLSAF-IBGZPJMESA-N 1 3 368.481 2.901 20 0 FFADHO CCOC1CC(CCNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000522012777 517950594 /nfs/dbraw/zinc/95/05/94/517950594.db2.gz WDVZXTMESMFPAW-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000553886144 517952475 /nfs/dbraw/zinc/95/24/75/517952475.db2.gz OXKUCERQQUQLKX-RBUKOAKNSA-N 1 3 354.922 2.676 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553940235 517979955 /nfs/dbraw/zinc/97/99/55/517979955.db2.gz FIDFQHQQRWSSIW-ROUUACIJSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553940235 517979958 /nfs/dbraw/zinc/97/99/58/517979958.db2.gz FIDFQHQQRWSSIW-ROUUACIJSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530841108 518004753 /nfs/dbraw/zinc/00/47/53/518004753.db2.gz WOMNRNCUQUILAY-YOEHRIQHSA-N 1 3 352.910 2.678 20 0 FFADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530841108 518004761 /nfs/dbraw/zinc/00/47/61/518004761.db2.gz WOMNRNCUQUILAY-YOEHRIQHSA-N 1 3 352.910 2.678 20 0 FFADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880310 518026036 /nfs/dbraw/zinc/02/60/36/518026036.db2.gz UJEPDVZSMSDRIN-HNNXBMFYSA-N 1 3 373.463 2.836 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)[C@H](C)C1 ZINC000528010001 518039838 /nfs/dbraw/zinc/03/98/38/518039838.db2.gz ZUESXSVNMHCETJ-UXPWSPDFSA-N 1 3 359.514 2.540 20 0 FFADHO C[C@@H](NCCC(=O)NCC(=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460335 518104077 /nfs/dbraw/zinc/10/40/77/518104077.db2.gz LIHCDQAEUPQEDT-IEBWSBKVSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@@H](NCCC(=O)NCC(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460335 518104088 /nfs/dbraw/zinc/10/40/88/518104088.db2.gz LIHCDQAEUPQEDT-IEBWSBKVSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000543460335 518104101 /nfs/dbraw/zinc/10/41/01/518104101.db2.gz LIHCDQAEUPQEDT-IEBWSBKVSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539811107 518166111 /nfs/dbraw/zinc/16/61/11/518166111.db2.gz HRHBIDOWYXKZAM-DFQSSKMNSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539811107 518166115 /nfs/dbraw/zinc/16/61/15/518166115.db2.gz HRHBIDOWYXKZAM-DFQSSKMNSA-N 1 3 358.530 2.538 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)Cc1ccccc1 ZINC000535261422 518171378 /nfs/dbraw/zinc/17/13/78/518171378.db2.gz KOJUXKUXQVZBFI-OALUTQOASA-N 1 3 362.562 2.825 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000572503449 518222463 /nfs/dbraw/zinc/22/24/63/518222463.db2.gz WBYSIJHIRQGYFI-FGZHOGPDSA-N 1 3 358.574 2.829 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000584226962 518236856 /nfs/dbraw/zinc/23/68/56/518236856.db2.gz YVXWDTSOSBXHOT-GOEBONIOSA-N 1 3 360.420 2.767 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000584234429 518241080 /nfs/dbraw/zinc/24/10/80/518241080.db2.gz BNMDBUHFCGVBHX-CQSZACIVSA-N 1 3 364.449 2.958 20 0 FFADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000569782406 518286538 /nfs/dbraw/zinc/28/65/38/518286538.db2.gz OVYIBMFEGSFHLL-QKNQBKEWSA-N 1 3 364.493 2.713 20 0 FFADHO Cc1ccc(NC(=O)CCNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000566968894 518289968 /nfs/dbraw/zinc/28/99/68/518289968.db2.gz LGORDSNNSQPLBV-IBGZPJMESA-N 1 3 352.482 2.830 20 0 FFADHO Cc1ccc(NC(=O)CCNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000566968894 518289977 /nfs/dbraw/zinc/28/99/77/518289977.db2.gz LGORDSNNSQPLBV-IBGZPJMESA-N 1 3 352.482 2.830 20 0 FFADHO c1cc([C@@H]2CCN(CCOCC[N@@H+]3CC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000575813157 518292469 /nfs/dbraw/zinc/29/24/69/518292469.db2.gz WXVXJBJAMNAALG-FGZHOGPDSA-N 1 3 366.509 2.772 20 0 FFADHO c1cc([C@@H]2CCN(CCOCC[N@H+]3CC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000575813157 518292472 /nfs/dbraw/zinc/29/24/72/518292472.db2.gz WXVXJBJAMNAALG-FGZHOGPDSA-N 1 3 366.509 2.772 20 0 FFADHO O=C([C@H]1CNCc2ccccc21)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000578646812 518309859 /nfs/dbraw/zinc/30/98/59/518309859.db2.gz NBFSQHFRHQBRET-NQIIRXRSSA-N 1 3 355.526 2.988 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1O2 ZINC000578706117 518332664 /nfs/dbraw/zinc/33/26/64/518332664.db2.gz GUBNDMIHGOZQSZ-LEOMRAHMSA-N 1 3 357.498 2.608 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H]2CCC[C@@H]21 ZINC000569949036 518371076 /nfs/dbraw/zinc/37/10/76/518371076.db2.gz IODGVOPCDKUPKC-MLNNCEHLSA-N 1 3 357.542 2.740 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1cccs1 ZINC000575980980 518371522 /nfs/dbraw/zinc/37/15/22/518371522.db2.gz PVBABGWJGZORJS-ANQUJSFKSA-N 1 3 350.532 2.700 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000569957112 518375604 /nfs/dbraw/zinc/37/56/04/518375604.db2.gz HYLOMKVBWJSZGI-IUODEOHRSA-N 1 3 353.894 2.963 20 0 FFADHO CN1CCC(C[NH2+]CCC(=O)Nc2ccccc2)(N2CCCCC2)CC1 ZINC000569961977 518377858 /nfs/dbraw/zinc/37/78/58/518377858.db2.gz MLRPJIBOLMYBJJ-UHFFFAOYSA-N 1 3 358.530 2.555 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567164670 518384287 /nfs/dbraw/zinc/38/42/87/518384287.db2.gz UEIPRYPAZURZBK-PMACEKPBSA-N 1 3 373.516 2.886 20 0 FFADHO COc1cc(F)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000570049165 518417623 /nfs/dbraw/zinc/41/76/23/518417623.db2.gz DTUYMFDUBVPTSJ-HUUCEWRRSA-N 1 3 354.466 2.822 20 0 FFADHO CCN(CC(O)C[N@H+](CC)[C@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000564396481 518432376 /nfs/dbraw/zinc/43/23/76/518432376.db2.gz RZDXKLSWZTZBFY-ROUUACIJSA-N 1 3 370.578 2.906 20 0 FFADHO CCN(CC(O)C[N@@H+](CC)[C@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000564396481 518432383 /nfs/dbraw/zinc/43/23/83/518432383.db2.gz RZDXKLSWZTZBFY-ROUUACIJSA-N 1 3 370.578 2.906 20 0 FFADHO CC[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000584718037 518445763 /nfs/dbraw/zinc/44/57/63/518445763.db2.gz LIVVZMWISLTNDE-NRFANRHFSA-N 1 3 366.509 2.781 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000581776794 518449151 /nfs/dbraw/zinc/44/91/51/518449151.db2.gz RHRTVOOFCQAEJQ-HOJAQTOUSA-N 1 3 358.530 2.758 20 0 FFADHO OCC[C@H]1CCCCN1Cc1cncc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000570131654 518454220 /nfs/dbraw/zinc/45/42/20/518454220.db2.gz VRTHAXSIXMGLHH-NHCUHLMSSA-N 1 3 361.530 2.555 20 0 FFADHO OCC[C@H]1CCCCN1Cc1cncc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000570131654 518454226 /nfs/dbraw/zinc/45/42/26/518454226.db2.gz VRTHAXSIXMGLHH-NHCUHLMSSA-N 1 3 361.530 2.555 20 0 FFADHO O=C(NC1CCCCC1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000567359278 518484193 /nfs/dbraw/zinc/48/41/93/518484193.db2.gz PBVUVRKEKAIICO-UHFFFAOYSA-N 1 3 355.526 2.993 20 0 FFADHO FC(F)(F)c1ccccc1OCC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000582003938 518541946 /nfs/dbraw/zinc/54/19/46/518541946.db2.gz RXURVBYYYZYLAW-UHFFFAOYSA-N 1 3 371.447 2.701 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000564644822 518543090 /nfs/dbraw/zinc/54/30/90/518543090.db2.gz WCUCEMNZQMUHCS-SFHVURJKSA-N 1 3 369.513 2.795 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000564644822 518543094 /nfs/dbraw/zinc/54/30/94/518543094.db2.gz WCUCEMNZQMUHCS-SFHVURJKSA-N 1 3 369.513 2.795 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000573204067 518554841 /nfs/dbraw/zinc/55/48/41/518554841.db2.gz GFYDGEVPPUOVKC-AXVVYFOYSA-N 1 3 358.530 2.621 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000573204067 518554848 /nfs/dbraw/zinc/55/48/48/518554848.db2.gz GFYDGEVPPUOVKC-AXVVYFOYSA-N 1 3 358.530 2.621 20 0 FFADHO NC(=O)C1CC[NH+](Cc2ccc(CNc3ccnc4ccccc43)cc2)CC1 ZINC000567587818 518601215 /nfs/dbraw/zinc/60/12/15/518601215.db2.gz TYCGUCKGUJMWNT-UHFFFAOYSA-N 1 3 374.488 2.966 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000564777298 518609096 /nfs/dbraw/zinc/60/90/96/518609096.db2.gz CJHBJNMCMUVOGV-ZHHKINOHSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000564777298 518609103 /nfs/dbraw/zinc/60/91/03/518609103.db2.gz CJHBJNMCMUVOGV-ZHHKINOHSA-N 1 3 357.542 2.740 20 0 FFADHO CCCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)C1CC[NH2+]CC1 ZINC000579329598 518630226 /nfs/dbraw/zinc/63/02/26/518630226.db2.gz AEDNEWDXYCJIGG-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000567655144 518634360 /nfs/dbraw/zinc/63/43/60/518634360.db2.gz CBMFKRFHCXNQMX-IXDOHACOSA-N 1 3 355.482 2.716 20 0 FFADHO COC1CC[NH+](C2(CNCCC(=O)Nc3ccc(C)cn3)CCCC2)CC1 ZINC000564856247 518656631 /nfs/dbraw/zinc/65/66/31/518656631.db2.gz JNYTWHKWYJNUIJ-UHFFFAOYSA-N 1 3 374.529 2.732 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC000573503641 518697460 /nfs/dbraw/zinc/69/74/60/518697460.db2.gz CVGZWILDTAPGFR-ZWKOTPCHSA-N 1 3 365.562 2.504 20 0 FFADHO C[N@H+](CCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)C1CCCCC1 ZINC000570656978 518715646 /nfs/dbraw/zinc/71/56/46/518715646.db2.gz XJSCHUBQPVKBQU-FQEVSTJZSA-N 1 3 359.514 2.846 20 0 FFADHO C[N@@H+](CCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)C1CCCCC1 ZINC000570656978 518715653 /nfs/dbraw/zinc/71/56/53/518715653.db2.gz XJSCHUBQPVKBQU-FQEVSTJZSA-N 1 3 359.514 2.846 20 0 FFADHO CN(C)CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1CCCCC1 ZINC000576716433 518729685 /nfs/dbraw/zinc/72/96/85/518729685.db2.gz XVOICAONMKBGEJ-IBGZPJMESA-N 1 3 367.603 2.927 20 0 FFADHO Cc1ccc(NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C)c(Cl)c1 ZINC000573600724 518746221 /nfs/dbraw/zinc/74/62/21/518746221.db2.gz UXJFERNEOGWWDX-INIZCTEOSA-N 1 3 368.953 2.791 20 0 FFADHO Cc1ccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)c(OCCN(C)C)c1 ZINC000576759047 518750304 /nfs/dbraw/zinc/75/03/04/518750304.db2.gz PXQIEHPRTVAYCK-SFHVURJKSA-N 1 3 355.482 2.834 20 0 FFADHO O=C(CCNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1cccc(F)c1 ZINC000582482479 518774914 /nfs/dbraw/zinc/77/49/14/518774914.db2.gz DKCNOHUFPVPCMP-HXUWFJFHSA-N 1 3 371.456 2.511 20 0 FFADHO O=C(CCNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1cccc(F)c1 ZINC000582482479 518774920 /nfs/dbraw/zinc/77/49/20/518774920.db2.gz DKCNOHUFPVPCMP-HXUWFJFHSA-N 1 3 371.456 2.511 20 0 FFADHO O=C(NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1)c1ccc(F)cc1 ZINC000565093917 518783490 /nfs/dbraw/zinc/78/34/90/518783490.db2.gz VTVFIHFITPFGNS-UHFFFAOYSA-N 1 3 367.468 2.866 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCCNC1 ZINC000573693947 518790769 /nfs/dbraw/zinc/79/07/69/518790769.db2.gz ZREXLCDUGACOHS-SWLSCSKDSA-N 1 3 354.292 2.898 20 0 FFADHO CCN(C[C@H]1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990603 518819436 /nfs/dbraw/zinc/81/94/36/518819436.db2.gz MRNJLALSJADJGW-NVXWUHKLSA-N 1 3 373.463 2.944 20 0 FFADHO CCN(C[C@H]1CC[N@H+](C[C@@H](CN)c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990603 518819425 /nfs/dbraw/zinc/81/94/25/518819425.db2.gz MRNJLALSJADJGW-NVXWUHKLSA-N 1 3 373.463 2.944 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](C[C@@H](CN)c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990603 518819433 /nfs/dbraw/zinc/81/94/33/518819433.db2.gz MRNJLALSJADJGW-NVXWUHKLSA-N 1 3 373.463 2.944 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000579730217 518825699 /nfs/dbraw/zinc/82/56/99/518825699.db2.gz PWYCPLSWRZLCOG-GIVPXCGWSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000579730217 518825704 /nfs/dbraw/zinc/82/57/04/518825704.db2.gz PWYCPLSWRZLCOG-GIVPXCGWSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCC[NH2+]C1 ZINC000573904726 518892599 /nfs/dbraw/zinc/89/25/99/518892599.db2.gz PJSYBWOKZHWCNO-QAPCUYQASA-N 1 3 350.532 2.574 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@](C)(OC)C3CC3)CC2)CC1 ZINC000577077165 518905075 /nfs/dbraw/zinc/90/50/75/518905075.db2.gz XUHBWEXYPCUQFP-KKSFZXQISA-N 1 3 365.562 2.503 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC(C)(C)c1cccc(Br)c1)C1CC1 ZINC000579947110 518933690 /nfs/dbraw/zinc/93/36/90/518933690.db2.gz RZYKDKKTQZFFRJ-INIZCTEOSA-N 1 3 355.320 2.771 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)c1cccc(Br)c1)C1CC1 ZINC000579947110 518933696 /nfs/dbraw/zinc/93/36/96/518933696.db2.gz RZYKDKKTQZFFRJ-INIZCTEOSA-N 1 3 355.320 2.771 20 0 FFADHO COC[C@@]1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC[NH2+]C1 ZINC000574020882 518949112 /nfs/dbraw/zinc/94/91/12/518949112.db2.gz CLCNQEUZHRXWGT-HXUWFJFHSA-N 1 3 356.470 2.600 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582854819 518954029 /nfs/dbraw/zinc/95/40/29/518954029.db2.gz ZBZJBMPOZXISPC-FGZHOGPDSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582854819 518954035 /nfs/dbraw/zinc/95/40/35/518954035.db2.gz ZBZJBMPOZXISPC-FGZHOGPDSA-N 1 3 365.521 2.798 20 0 FFADHO CN1CCN(CCCC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000565521305 518997186 /nfs/dbraw/zinc/99/71/86/518997186.db2.gz NIYLEIZPMJBBNO-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000565529891 519002433 /nfs/dbraw/zinc/00/24/33/519002433.db2.gz ZGQDMTBQWCZFRM-FPOVZHCZSA-N 1 3 358.530 2.821 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000574151434 519011943 /nfs/dbraw/zinc/01/19/43/519011943.db2.gz MHZPAKMBRBSKOQ-ZBFHGGJFSA-N 1 3 371.319 2.510 20 0 FFADHO Cc1cccnc1[C@@H]1CCC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568383217 519013802 /nfs/dbraw/zinc/01/38/02/519013802.db2.gz QQFNDQJTODKSFU-SJORKVTESA-N 1 3 354.502 2.791 20 0 FFADHO [NH3+]C[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)c1ccccc1 ZINC000571321115 519037963 /nfs/dbraw/zinc/03/79/63/519037963.db2.gz RQJHBQGQNDTOJK-JOCHJYFZSA-N 1 3 365.521 2.896 20 0 FFADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000583019441 519038273 /nfs/dbraw/zinc/03/82/73/519038273.db2.gz CADBCRRLXLYWOF-HUUCEWRRSA-N 1 3 360.420 2.767 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000565647614 519060808 /nfs/dbraw/zinc/06/08/08/519060808.db2.gz YXJDVLHQQCVKKH-CBNQQXHVSA-N 1 3 358.530 2.674 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000589836463 519088225 /nfs/dbraw/zinc/08/82/25/519088225.db2.gz ZFOOYPDYASSWQJ-LJQANCHMSA-N 1 3 368.525 2.776 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000565733556 519104528 /nfs/dbraw/zinc/10/45/28/519104528.db2.gz GNKPAKJDIYFNEF-KRWDZBQOSA-N 1 3 370.541 2.939 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000568613308 519129028 /nfs/dbraw/zinc/12/90/28/519129028.db2.gz VDVNCJHATBVUHU-UHFFFAOYSA-N 1 3 365.477 2.914 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000565809264 519142697 /nfs/dbraw/zinc/14/26/97/519142697.db2.gz RCZHNOOZUABSIJ-GJZGRUSLSA-N 1 3 369.351 2.768 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000577569606 519143300 /nfs/dbraw/zinc/14/33/00/519143300.db2.gz JTYLVXJPEGQUBF-ZDUSSCGKSA-N 1 3 358.939 2.524 20 0 FFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000571549887 519153752 /nfs/dbraw/zinc/15/37/52/519153752.db2.gz DGSQGLRSLVKLSS-BHDDXSALSA-N 1 3 368.525 2.778 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000577589652 519154337 /nfs/dbraw/zinc/15/43/37/519154337.db2.gz CFJYQRDVFPMEGC-AEFFLSMTSA-N 1 3 373.545 2.586 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000571580470 519166624 /nfs/dbraw/zinc/16/66/24/519166624.db2.gz WXZANXCUHQGESY-UHFFFAOYSA-N 1 3 369.509 2.700 20 0 FFADHO CC(C)(CNC[C@@H](O)COCc1ccccc1Cl)C[NH+]1CCCC1 ZINC000565888683 519183305 /nfs/dbraw/zinc/18/33/05/519183305.db2.gz NZVHFPPLEOSJSK-QGZVFWFLSA-N 1 3 354.922 2.929 20 0 FFADHO CC(C)(C[NH2+]C[C@@H](O)COCc1ccccc1Cl)CN1CCCC1 ZINC000565888683 519183309 /nfs/dbraw/zinc/18/33/09/519183309.db2.gz NZVHFPPLEOSJSK-QGZVFWFLSA-N 1 3 354.922 2.929 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000568765530 519202979 /nfs/dbraw/zinc/20/29/79/519202979.db2.gz JQCGWGKUNFCRCD-SJORKVTESA-N 1 3 369.303 2.656 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000580540325 519228706 /nfs/dbraw/zinc/22/87/06/519228706.db2.gz ZMARTPVFCPDSEV-QRQLOZEOSA-N 1 3 358.530 2.757 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000571745826 519252516 /nfs/dbraw/zinc/25/25/16/519252516.db2.gz KTKFKGCSLKPNSS-VRXWPRPYSA-N 1 3 366.509 2.733 20 0 FFADHO CC(C)(C)N1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000577835844 519278653 /nfs/dbraw/zinc/27/86/53/519278653.db2.gz DXNMSURTDRMGEM-KRWDZBQOSA-N 1 3 353.576 2.537 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c2ccccc2)CC1 ZINC000568965996 519307942 /nfs/dbraw/zinc/30/79/42/519307942.db2.gz WWLUNURKTLMIFF-DFQSSKMNSA-N 1 3 358.530 2.899 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000583607819 519336244 /nfs/dbraw/zinc/33/62/44/519336244.db2.gz YKECKICYSISGBA-PZJWPPBQSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000583607819 519336251 /nfs/dbraw/zinc/33/62/51/519336251.db2.gz YKECKICYSISGBA-PZJWPPBQSA-N 1 3 372.557 2.880 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583613596 519341378 /nfs/dbraw/zinc/34/13/78/519341378.db2.gz WJGQFLQFSIXEFR-CTNGQTDRSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000578006078 519367277 /nfs/dbraw/zinc/36/72/77/519367277.db2.gz QPVHBMLRGWYNSY-WMZHIEFXSA-N 1 3 367.537 2.688 20 0 FFADHO O=C(CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)NCc1ccccc1 ZINC000574868553 519374133 /nfs/dbraw/zinc/37/41/33/519374133.db2.gz AEKXYORYZUDQGQ-SIKLNZKXSA-N 1 3 365.477 2.538 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000578047349 519389738 /nfs/dbraw/zinc/38/97/38/519389738.db2.gz VQXWZCLHNUAGOX-ICSRJNTNSA-N 1 3 369.513 2.602 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000578047348 519390708 /nfs/dbraw/zinc/39/07/08/519390708.db2.gz VQXWZCLHNUAGOX-AZUAARDMSA-N 1 3 369.513 2.602 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000566324479 519434948 /nfs/dbraw/zinc/43/49/48/519434948.db2.gz OFXGKFFTZKHNAM-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000566324479 519434955 /nfs/dbraw/zinc/43/49/55/519434955.db2.gz OFXGKFFTZKHNAM-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000572132536 519460748 /nfs/dbraw/zinc/46/07/48/519460748.db2.gz HXWOWPAYWOACOH-FCHUYYIVSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000572132536 519460754 /nfs/dbraw/zinc/46/07/54/519460754.db2.gz HXWOWPAYWOACOH-FCHUYYIVSA-N 1 3 365.521 2.798 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000583872673 519476754 /nfs/dbraw/zinc/47/67/54/519476754.db2.gz XZJFMYPCJWCVTF-FGZHOGPDSA-N 1 3 369.553 2.789 20 0 FFADHO Cc1c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cccc1-c1ncco1 ZINC000575093000 519494026 /nfs/dbraw/zinc/49/40/26/519494026.db2.gz YCLDYDWIDVLXQO-UHFFFAOYSA-N 1 3 359.474 2.607 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2)CC1 ZINC000581073237 519510194 /nfs/dbraw/zinc/51/01/94/519510194.db2.gz CDZUBHYTBHOXPY-GGPKGHCWSA-N 1 3 372.557 2.662 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@@H]21 ZINC000578359618 519554627 /nfs/dbraw/zinc/55/46/27/519554627.db2.gz IXFBUWKGCWVIFX-ZFVVBOAOSA-N 1 3 367.415 2.870 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@H]21 ZINC000578359617 519554720 /nfs/dbraw/zinc/55/47/20/519554720.db2.gz IXFBUWKGCWVIFX-YYQUZTFQSA-N 1 3 367.415 2.870 20 0 FFADHO Cc1ccc(-c2ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)s2)c(C)c1 ZINC000591287054 519575415 /nfs/dbraw/zinc/57/54/15/519575415.db2.gz CCQSTBCPMFQEFP-UHFFFAOYSA-N 1 3 374.554 2.992 20 0 FFADHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000591759297 520027158 /nfs/dbraw/zinc/02/71/58/520027158.db2.gz LFDRTTVZPUDDGO-IVAOSVALSA-N 1 3 374.525 2.581 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000608698574 520087117 /nfs/dbraw/zinc/08/71/17/520087117.db2.gz XMSIBKSOCMXKMU-OAQYLSRUSA-N 1 3 372.557 2.821 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000608698574 520087120 /nfs/dbraw/zinc/08/71/20/520087120.db2.gz XMSIBKSOCMXKMU-OAQYLSRUSA-N 1 3 372.557 2.821 20 0 FFADHO C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000603320348 520213395 /nfs/dbraw/zinc/21/33/95/520213395.db2.gz IAIHYUGNFISMMM-APWZRJJASA-N 1 3 361.505 2.884 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000612967157 520245380 /nfs/dbraw/zinc/24/53/80/520245380.db2.gz YFUQJXLGVVUAPJ-WOJBJXKFSA-N 1 3 370.541 2.901 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965767 520245725 /nfs/dbraw/zinc/24/57/25/520245725.db2.gz FHGZNMWAOSGZCV-KRWDZBQOSA-N 1 3 364.921 2.555 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978755 520254308 /nfs/dbraw/zinc/25/43/08/520254308.db2.gz BIAUCWRNCWQUAM-OALUTQOASA-N 1 3 358.530 2.584 20 0 FFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CCCCC1 ZINC000617113503 520332593 /nfs/dbraw/zinc/33/25/93/520332593.db2.gz KGDABDFATCGHNK-HXUWFJFHSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000603907482 520400652 /nfs/dbraw/zinc/40/06/52/520400652.db2.gz DUWICCFDOATSNI-OALUTQOASA-N 1 3 373.541 2.964 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000604117405 520455835 /nfs/dbraw/zinc/45/58/35/520455835.db2.gz XJYNHZRLQSIOAP-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000600839601 520495175 /nfs/dbraw/zinc/49/51/75/520495175.db2.gz YIUHXAUEXVLORG-MRXNPFEDSA-N 1 3 350.551 2.813 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000600839601 520495182 /nfs/dbraw/zinc/49/51/82/520495182.db2.gz YIUHXAUEXVLORG-MRXNPFEDSA-N 1 3 350.551 2.813 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000600843886 520496351 /nfs/dbraw/zinc/49/63/51/520496351.db2.gz XICZPKYIPFPNBI-HXUWFJFHSA-N 1 3 358.530 2.608 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000600843886 520496360 /nfs/dbraw/zinc/49/63/60/520496360.db2.gz XICZPKYIPFPNBI-HXUWFJFHSA-N 1 3 358.530 2.608 20 0 FFADHO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504331 520536915 /nfs/dbraw/zinc/53/69/15/520536915.db2.gz QBGGSHQCSKWPRQ-ZDUSSCGKSA-N 1 3 364.515 2.713 20 0 FFADHO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504331 520536921 /nfs/dbraw/zinc/53/69/21/520536921.db2.gz QBGGSHQCSKWPRQ-ZDUSSCGKSA-N 1 3 364.515 2.713 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)cc1Br ZINC000617503544 520537150 /nfs/dbraw/zinc/53/71/50/520537150.db2.gz NYGIYZCHJKZNGA-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)cc1Br ZINC000617503544 520537157 /nfs/dbraw/zinc/53/71/57/520537157.db2.gz NYGIYZCHJKZNGA-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3cccc(CN4CCCCC4)c3)c21 ZINC000592957254 520659873 /nfs/dbraw/zinc/65/98/73/520659873.db2.gz NNBSMAZLBTXCNE-KRWDZBQOSA-N 1 3 367.497 2.957 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCN2CCCC2)CC1 ZINC000604821868 520685034 /nfs/dbraw/zinc/68/50/34/520685034.db2.gz AKDDETODJXKUBP-SFHVURJKSA-N 1 3 358.530 2.949 20 0 FFADHO CN1CCC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000601270683 520716263 /nfs/dbraw/zinc/71/62/63/520716263.db2.gz ZVFZSNSNRUKDND-UMQXSMKFSA-N 1 3 356.514 2.575 20 0 FFADHO CN1CCC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000601270683 520716268 /nfs/dbraw/zinc/71/62/68/520716268.db2.gz ZVFZSNSNRUKDND-UMQXSMKFSA-N 1 3 356.514 2.575 20 0 FFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000605425256 520870881 /nfs/dbraw/zinc/87/08/81/520870881.db2.gz FPCBJAYMUKKGII-UHFFFAOYSA-N 1 3 367.578 2.848 20 0 FFADHO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000614333592 520914454 /nfs/dbraw/zinc/91/44/54/520914454.db2.gz DEVJPQYAUBDKSJ-HXUWFJFHSA-N 1 3 372.557 2.532 20 0 FFADHO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000614333592 520914460 /nfs/dbraw/zinc/91/44/60/520914460.db2.gz DEVJPQYAUBDKSJ-HXUWFJFHSA-N 1 3 372.557 2.532 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)C[NH+]1CCCC1 ZINC000606645881 521122231 /nfs/dbraw/zinc/12/22/31/521122231.db2.gz GKRXFJKOQITLRZ-GOSISDBHSA-N 1 3 352.567 2.872 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000606700739 521141513 /nfs/dbraw/zinc/14/15/13/521141513.db2.gz PJQDPXWOKHRKJP-GOSISDBHSA-N 1 3 360.546 2.799 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1csc2ccccc12 ZINC000607234356 521301244 /nfs/dbraw/zinc/30/12/44/521301244.db2.gz ZLHMKPOMKAIVDR-UHFFFAOYSA-N 1 3 362.543 2.579 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000615672115 521497817 /nfs/dbraw/zinc/49/78/17/521497817.db2.gz KPFPXAIJHLZHCL-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000615672115 521497824 /nfs/dbraw/zinc/49/78/24/521497824.db2.gz KPFPXAIJHLZHCL-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000619360654 521535593 /nfs/dbraw/zinc/53/55/93/521535593.db2.gz LMYGHMSROFQCEB-MOPGFXCFSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000619360654 521535598 /nfs/dbraw/zinc/53/55/98/521535598.db2.gz LMYGHMSROFQCEB-MOPGFXCFSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000615854189 521558424 /nfs/dbraw/zinc/55/84/24/521558424.db2.gz JRSUCFYZYLGPJM-FQEVSTJZSA-N 1 3 360.546 2.579 20 0 FFADHO CCOC(=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000597192373 521567424 /nfs/dbraw/zinc/56/74/24/521567424.db2.gz QHPFDXNEXQDWGX-UHFFFAOYSA-N 1 3 357.454 2.853 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000616097661 521620541 /nfs/dbraw/zinc/62/05/41/521620541.db2.gz JPRCELXHHCAOPO-SFHVURJKSA-N 1 3 366.525 2.875 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000623642629 522187469 /nfs/dbraw/zinc/18/74/69/522187469.db2.gz JPTQELRESLUZMC-FQEVSTJZSA-N 1 3 372.557 2.874 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000623642629 522187478 /nfs/dbraw/zinc/18/74/78/522187478.db2.gz JPTQELRESLUZMC-FQEVSTJZSA-N 1 3 372.557 2.874 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623643694 522187932 /nfs/dbraw/zinc/18/79/32/522187932.db2.gz OSOJTGICGDVXJX-YOUFYPILSA-N 1 3 372.557 2.776 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623643694 522187939 /nfs/dbraw/zinc/18/79/39/522187939.db2.gz OSOJTGICGDVXJX-YOUFYPILSA-N 1 3 372.557 2.776 20 0 FFADHO [NH3+]CCCOCCN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000629536712 522301418 /nfs/dbraw/zinc/30/14/18/522301418.db2.gz HXXMHORDCBBIEC-CVEARBPZSA-N 1 3 357.292 2.624 20 0 FFADHO O[C@@H](CN[C@H]1C[C@H](c2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000629580330 522327627 /nfs/dbraw/zinc/32/76/27/522327627.db2.gz QSDWKMNOJHCCBJ-XIRDDKMYSA-N 1 3 353.304 2.741 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)CN1CCCC1 ZINC000629576240 522328358 /nfs/dbraw/zinc/32/83/58/522328358.db2.gz SHUARTXDLOAZGO-UKRRQHHQSA-N 1 3 358.313 2.618 20 0 FFADHO CN(C)CCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629657145 522377315 /nfs/dbraw/zinc/37/73/15/522377315.db2.gz UAOQANWECICOBD-NVXWUHKLSA-N 1 3 359.436 2.586 20 0 FFADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCOCCC[NH3+] ZINC000629660758 522380479 /nfs/dbraw/zinc/38/04/79/522380479.db2.gz YTEGXIBKSUJQMP-UHFFFAOYSA-N 1 3 350.894 2.657 20 0 FFADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN(C)CCOCC[NH3+])c1 ZINC000629665879 522384444 /nfs/dbraw/zinc/38/44/44/522384444.db2.gz QQGFWLPHRADOAY-UHFFFAOYSA-N 1 3 360.502 2.721 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000620812402 522463934 /nfs/dbraw/zinc/46/39/34/522463934.db2.gz DNQORMKWGJLLJM-NHCUHLMSSA-N 1 3 372.557 2.930 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000620812402 522463943 /nfs/dbraw/zinc/46/39/43/522463943.db2.gz DNQORMKWGJLLJM-NHCUHLMSSA-N 1 3 372.557 2.930 20 0 FFADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000620912824 522515736 /nfs/dbraw/zinc/51/57/36/522515736.db2.gz UHSGIVHHWNMAMA-UXHICEINSA-N 1 3 373.541 2.781 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000629980107 522564603 /nfs/dbraw/zinc/56/46/03/522564603.db2.gz DEGZYPXRGVPRLE-INIZCTEOSA-N 1 3 357.420 2.909 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000629980107 522564611 /nfs/dbraw/zinc/56/46/11/522564611.db2.gz DEGZYPXRGVPRLE-INIZCTEOSA-N 1 3 357.420 2.909 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000627045813 522614225 /nfs/dbraw/zinc/61/42/25/522614225.db2.gz VZEXKGZUAKKJTD-IAGOWNOFSA-N 1 3 362.543 2.595 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000627165032 522687145 /nfs/dbraw/zinc/68/71/45/522687145.db2.gz LCXHKSBVEVUYKG-RSPOEFSDSA-N 1 3 358.530 2.994 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000633364966 522700552 /nfs/dbraw/zinc/70/05/52/522700552.db2.gz KNRBNBWBMVSPKD-SFHVURJKSA-N 1 3 350.551 2.909 20 0 FFADHO CN(CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000624545645 522765080 /nfs/dbraw/zinc/76/50/80/522765080.db2.gz LMHPFNPBINBIMA-LEWJYISDSA-N 1 3 351.494 2.580 20 0 FFADHO CN(CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000624545645 522765088 /nfs/dbraw/zinc/76/50/88/522765088.db2.gz LMHPFNPBINBIMA-LEWJYISDSA-N 1 3 351.494 2.580 20 0 FFADHO COc1cc(Cl)c(CNCCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000631068003 523352677 /nfs/dbraw/zinc/35/26/77/523352677.db2.gz JREAXLMVNRKZDJ-OAHLLOKOSA-N 1 3 356.894 2.684 20 0 FFADHO COc1cc(Cl)c(CNCCCC[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000631068003 523352689 /nfs/dbraw/zinc/35/26/89/523352689.db2.gz JREAXLMVNRKZDJ-OAHLLOKOSA-N 1 3 356.894 2.684 20 0 FFADHO COCCc1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000631172189 523435398 /nfs/dbraw/zinc/43/53/98/523435398.db2.gz PTQBWUGVBICBLQ-UHFFFAOYSA-N 1 3 360.527 2.729 20 0 FFADHO C[C@](O)(C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000634704295 523592169 /nfs/dbraw/zinc/59/21/69/523592169.db2.gz JHSBELFNIWNOHU-NAQMCUANSA-N 1 3 358.526 2.684 20 0 FFADHO C[C@](O)(C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000634704295 523592175 /nfs/dbraw/zinc/59/21/75/523592175.db2.gz JHSBELFNIWNOHU-NAQMCUANSA-N 1 3 358.526 2.684 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)C[C@](C)(O)C1CC1 ZINC000634708395 523593409 /nfs/dbraw/zinc/59/34/09/523593409.db2.gz UDZCLOKECCHVPW-LAJDLSKKSA-N 1 3 360.542 2.645 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)C[C@](C)(O)C1CC1 ZINC000634708395 523593411 /nfs/dbraw/zinc/59/34/11/523593411.db2.gz UDZCLOKECCHVPW-LAJDLSKKSA-N 1 3 360.542 2.645 20 0 FFADHO O[C@@]1(CNCc2ccccc2-n2ccnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634709329 523598033 /nfs/dbraw/zinc/59/80/33/523598033.db2.gz HNMVTPVIBXFWFN-JOCHJYFZSA-N 1 3 362.477 2.599 20 0 FFADHO O[C@@]1(CNCc2ccccc2-n2ccnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709329 523598043 /nfs/dbraw/zinc/59/80/43/523598043.db2.gz HNMVTPVIBXFWFN-JOCHJYFZSA-N 1 3 362.477 2.599 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1=CCN(C)CC1 ZINC000634711461 523601041 /nfs/dbraw/zinc/60/10/41/523601041.db2.gz PHTAAQYEMLTFHV-BLLLJJGKSA-N 1 3 359.297 2.973 20 0 FFADHO C[C@](O)(C[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634713763 523603780 /nfs/dbraw/zinc/60/37/80/523603780.db2.gz AQHIYGUSAJMPTH-HJNYFJLDSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@](O)(C[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634713763 523603786 /nfs/dbraw/zinc/60/37/86/523603786.db2.gz AQHIYGUSAJMPTH-HJNYFJLDSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@](O)(C[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CC1 ZINC000634713763 523603798 /nfs/dbraw/zinc/60/37/98/523603798.db2.gz AQHIYGUSAJMPTH-HJNYFJLDSA-N 1 3 360.542 2.790 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)N3CCNC[C@@H]3C(C)C)c(C)c2)CC1 ZINC000625834904 523711072 /nfs/dbraw/zinc/71/10/72/523711072.db2.gz LOWVCPREWVNJJY-HXUWFJFHSA-N 1 3 373.545 2.599 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000637607345 523733595 /nfs/dbraw/zinc/73/35/95/523733595.db2.gz QKJYIDWLDGVCSM-RMVXJAJNSA-N 1 3 372.557 2.736 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000637607345 523733596 /nfs/dbraw/zinc/73/35/96/523733596.db2.gz QKJYIDWLDGVCSM-RMVXJAJNSA-N 1 3 372.557 2.736 20 0 FFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)C1 ZINC000631648035 523734119 /nfs/dbraw/zinc/73/41/19/523734119.db2.gz UUUBCVQSPZWGGE-TUFLPTIASA-N 1 3 356.510 2.691 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835717 720514441 /nfs/dbraw/zinc/51/44/41/720514441.db2.gz KIJRZFLRBLAKDO-GBESFXJTSA-N 1 3 368.529 2.722 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835717 720514448 /nfs/dbraw/zinc/51/44/48/720514448.db2.gz KIJRZFLRBLAKDO-GBESFXJTSA-N 1 3 368.529 2.722 20 0 FFADHO C[C@H](C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000899050167 735438683 /nfs/dbraw/zinc/43/86/83/735438683.db2.gz LWOAAUOAFXVGTH-FRRDWIJNSA-N 1 3 363.893 2.911 20 0 FFADHO C[C@H](C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000899050167 735438686 /nfs/dbraw/zinc/43/86/86/735438686.db2.gz LWOAAUOAFXVGTH-FRRDWIJNSA-N 1 3 363.893 2.911 20 0 FFADHO CCCN1CCN(c2ccc(NC(=O)[C@H](C)[NH+](C)C)cc2Cl)CC1 ZINC000078694349 728301194 /nfs/dbraw/zinc/30/11/94/728301194.db2.gz FGGIDNIUAJVZSL-AWEZNQCLSA-N 1 3 352.910 2.761 20 0 FFADHO C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000924611643 738433802 /nfs/dbraw/zinc/43/38/02/738433802.db2.gz ZHPNPQUBVKRILH-HNNXBMFYSA-N 1 3 361.511 2.971 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3cc4ccsc4[nH]3)CC2)CC1 ZINC000643362609 730287718 /nfs/dbraw/zinc/28/77/18/730287718.db2.gz OVTZFURKRXGXLI-UHFFFAOYSA-N 1 3 360.527 2.862 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C(=O)c3cc4ccsc4[nH]3)CC2)CC1 ZINC000643362609 730287723 /nfs/dbraw/zinc/28/77/23/730287723.db2.gz OVTZFURKRXGXLI-UHFFFAOYSA-N 1 3 360.527 2.862 20 0 FFADHO CCCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645168371 730531626 /nfs/dbraw/zinc/53/16/26/730531626.db2.gz QOZBMJMZLOVVLS-QRVBRYPASA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000646254361 730646363 /nfs/dbraw/zinc/64/63/63/730646363.db2.gz NHQUIGQXNWSLGQ-CZUORRHYSA-N 1 3 357.420 2.594 20 0 FFADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862274470 730684860 /nfs/dbraw/zinc/68/48/60/730684860.db2.gz OPLAVXKUVMENGX-CABCVRRESA-N 1 3 361.477 2.953 20 0 FFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000863552164 730790184 /nfs/dbraw/zinc/79/01/84/730790184.db2.gz PSXMNXQIIFLIEJ-RXCRORICSA-N 1 3 354.535 2.712 20 0 FFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c2cccs2)CC1 ZINC000649278009 730873815 /nfs/dbraw/zinc/87/38/15/730873815.db2.gz CPTIHBLYSZAKBA-GJZGRUSLSA-N 1 3 371.497 2.882 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000652196120 731174630 /nfs/dbraw/zinc/17/46/30/731174630.db2.gz IJNFMKUCVADILU-SFHVURJKSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925595698 738517324 /nfs/dbraw/zinc/51/73/24/738517324.db2.gz AKUBNCZRUSAVMQ-LSDHHAIUSA-N 1 3 366.303 2.946 20 0 FFADHO CC1(C)[C@H](NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925651394 738520054 /nfs/dbraw/zinc/52/00/54/738520054.db2.gz BRKYGBYXDZRNDA-RUZGCFLTSA-N 1 3 356.432 2.621 20 0 FFADHO CC1(C)[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)[C@@H]2CCCN[C@@H]21 ZINC000925651394 738520056 /nfs/dbraw/zinc/52/00/56/738520056.db2.gz BRKYGBYXDZRNDA-RUZGCFLTSA-N 1 3 356.432 2.621 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)c1ccccc1 ZINC000870915373 731574016 /nfs/dbraw/zinc/57/40/16/731574016.db2.gz ILDZKARWKQOMOV-KRWDZBQOSA-N 1 3 358.511 2.643 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837194 738534717 /nfs/dbraw/zinc/53/47/17/738534717.db2.gz CLYCPIPHCZJQRY-NSHDSACASA-N 1 3 364.291 2.648 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659490630 731981803 /nfs/dbraw/zinc/98/18/03/731981803.db2.gz ZUGSDTBITURFMU-QZTJIDSGSA-N 1 3 350.551 2.528 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000659498027 731982631 /nfs/dbraw/zinc/98/26/31/731982631.db2.gz PUYCBNZNZSNELP-IAGOWNOFSA-N 1 3 352.548 2.684 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000874433603 732057229 /nfs/dbraw/zinc/05/72/29/732057229.db2.gz ZNWFQTXGGPQXOG-OWCLPIDISA-N 1 3 350.532 2.558 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000874433600 732057274 /nfs/dbraw/zinc/05/72/74/732057274.db2.gz ZNWFQTXGGPQXOG-BZUAXINKSA-N 1 3 350.532 2.558 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000875358601 732147353 /nfs/dbraw/zinc/14/73/53/732147353.db2.gz AGRGTIQBHHGGNG-FUHWJXTLSA-N 1 3 350.551 2.621 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000661399489 732200205 /nfs/dbraw/zinc/20/02/05/732200205.db2.gz JLZAFSDDWXHSSG-SFHVURJKSA-N 1 3 350.551 2.956 20 0 FFADHO CC[C@@H](CN1CCCC1)NC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876766901 732278885 /nfs/dbraw/zinc/27/88/85/732278885.db2.gz VSVBUBXNBBJKNT-HNNXBMFYSA-N 1 3 350.532 2.523 20 0 FFADHO FC(F)(F)COc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)nn1 ZINC000662291988 732293656 /nfs/dbraw/zinc/29/36/56/732293656.db2.gz BOXGCNMSXNQBPN-AWEZNQCLSA-N 1 3 358.408 2.629 20 0 FFADHO FC(F)(F)COCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327458 732298335 /nfs/dbraw/zinc/29/83/35/732298335.db2.gz JTVRJTTUWAAYSX-UHFFFAOYSA-N 1 3 360.424 2.635 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000877151145 732329138 /nfs/dbraw/zinc/32/91/38/732329138.db2.gz DFCNRFNWFLHJEL-MRXNPFEDSA-N 1 3 370.324 2.796 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C(C)(C)N)no2)[C@H]1c1cccs1 ZINC000662746775 732351922 /nfs/dbraw/zinc/35/19/22/732351922.db2.gz WYRKYJCZINYQRD-WBMJQRKESA-N 1 3 362.499 2.743 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)c2cc(C(C)(C)N)no2)[C@H]1c1cccs1 ZINC000662746775 732351927 /nfs/dbraw/zinc/35/19/27/732351927.db2.gz WYRKYJCZINYQRD-WBMJQRKESA-N 1 3 362.499 2.743 20 0 FFADHO CN(Cc1c(Cl)cncc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526915 732380625 /nfs/dbraw/zinc/38/06/25/732380625.db2.gz WEUZHGVRPFELAZ-AWEZNQCLSA-N 1 3 357.329 2.989 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000663620648 732467508 /nfs/dbraw/zinc/46/75/08/732467508.db2.gz PRNRWMRZAXAXRO-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000663620648 732467511 /nfs/dbraw/zinc/46/75/11/732467511.db2.gz PRNRWMRZAXAXRO-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO C[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926415908 738613228 /nfs/dbraw/zinc/61/32/28/738613228.db2.gz DUROUZVQLXENBU-WMLDXEAASA-N 1 3 359.436 2.662 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000664875006 732643102 /nfs/dbraw/zinc/64/31/02/732643102.db2.gz UZCQQRAOCSXQOC-HRCADAONSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000664875006 732643105 /nfs/dbraw/zinc/64/31/05/732643105.db2.gz UZCQQRAOCSXQOC-HRCADAONSA-N 1 3 350.507 2.881 20 0 FFADHO CC(C)CCN1CCC([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1 ZINC000926570931 738631726 /nfs/dbraw/zinc/63/17/26/738631726.db2.gz SUIIXOXQNYGTQZ-GOSISDBHSA-N 1 3 354.535 2.502 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000665553716 732726020 /nfs/dbraw/zinc/72/60/20/732726020.db2.gz ZMIBAJWDZGYMIC-IAGOWNOFSA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000665553716 732726024 /nfs/dbraw/zinc/72/60/24/732726024.db2.gz ZMIBAJWDZGYMIC-IAGOWNOFSA-N 1 3 350.482 2.600 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccccc1Cl ZINC000665636993 732734152 /nfs/dbraw/zinc/73/41/52/732734152.db2.gz QDCNJVUYIWUZNM-HNNXBMFYSA-N 1 3 354.926 2.753 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccccc1Cl ZINC000665636993 732734154 /nfs/dbraw/zinc/73/41/54/732734154.db2.gz QDCNJVUYIWUZNM-HNNXBMFYSA-N 1 3 354.926 2.753 20 0 FFADHO Cc1ccc(CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2CC2)o1 ZINC000665637585 732734326 /nfs/dbraw/zinc/73/43/26/732734326.db2.gz HSLNJARGIBIIHS-HNNXBMFYSA-N 1 3 350.507 2.534 20 0 FFADHO Cc1ccc(CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2CC2)o1 ZINC000665637585 732734329 /nfs/dbraw/zinc/73/43/29/732734329.db2.gz HSLNJARGIBIIHS-HNNXBMFYSA-N 1 3 350.507 2.534 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(Cl)cc21 ZINC000665640129 732734963 /nfs/dbraw/zinc/73/49/63/732734963.db2.gz OBVNGAIKQPIPBT-AWEZNQCLSA-N 1 3 352.910 2.684 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(Cl)cc21 ZINC000665640129 732734965 /nfs/dbraw/zinc/73/49/65/732734965.db2.gz OBVNGAIKQPIPBT-AWEZNQCLSA-N 1 3 352.910 2.684 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000665758264 732752168 /nfs/dbraw/zinc/75/21/68/732752168.db2.gz CZFHVYDDZHGLFU-HNNXBMFYSA-N 1 3 366.937 2.680 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000665758264 732752172 /nfs/dbraw/zinc/75/21/72/732752172.db2.gz CZFHVYDDZHGLFU-HNNXBMFYSA-N 1 3 366.937 2.680 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000665761972 732753088 /nfs/dbraw/zinc/75/30/88/732753088.db2.gz WFFWOFHNAQXXFZ-SOUVJXGZSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000665761972 732753091 /nfs/dbraw/zinc/75/30/91/732753091.db2.gz WFFWOFHNAQXXFZ-SOUVJXGZSA-N 1 3 366.472 2.631 20 0 FFADHO CCCc1nc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000666798158 732899551 /nfs/dbraw/zinc/89/95/51/732899551.db2.gz ZGZBFQPBFLOPSQ-ZDUSSCGKSA-N 1 3 355.552 2.798 20 0 FFADHO CCCc1nc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000666798158 732899556 /nfs/dbraw/zinc/89/95/56/732899556.db2.gz ZGZBFQPBFLOPSQ-ZDUSSCGKSA-N 1 3 355.552 2.798 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669573421 733248239 /nfs/dbraw/zinc/24/82/39/733248239.db2.gz IJJRSXVOACMZMT-SQNIBIBYSA-N 1 3 350.551 2.528 20 0 FFADHO C[NH+](C)C1(CNC(=S)NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000782211911 738698880 /nfs/dbraw/zinc/69/88/80/738698880.db2.gz FHLDXOXXOYQMNB-UHFFFAOYSA-N 1 3 360.571 2.599 20 0 FFADHO CN1C[C@@H](C[NH2+]Cc2c3c(nn2C)CCSC3)[C@H](c2ccccc2)C1 ZINC000883153274 733343220 /nfs/dbraw/zinc/34/32/20/733343220.db2.gz YLFFISTWXHBTQQ-SJORKVTESA-N 1 3 356.539 2.644 20 0 FFADHO Cn1c(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000883342154 733370742 /nfs/dbraw/zinc/37/07/42/733370742.db2.gz MEUJITCLIDOQAL-UHFFFAOYSA-N 1 3 362.905 2.580 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cscc3Cl)CC2)CC1 ZINC000884124278 733483602 /nfs/dbraw/zinc/48/36/02/733483602.db2.gz SLOTUSHDQWLXKZ-UHFFFAOYSA-N 1 3 370.950 2.759 20 0 FFADHO CN(C)[C@@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccsc1 ZINC000673864211 733653007 /nfs/dbraw/zinc/65/30/07/733653007.db2.gz IHXRTKQGXZLTSZ-INIZCTEOSA-N 1 3 356.455 2.753 20 0 FFADHO CC(C)(C)[C@H](O)CN1CCCC2(CCC[N@H+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000685593230 734325025 /nfs/dbraw/zinc/32/50/25/734325025.db2.gz VTONBYQFEXIGHE-FYQIFJIOSA-N 1 3 354.579 2.978 20 0 FFADHO CC(C)(C)[C@H](O)CN1CCCC2(CCC[N@@H+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000685593230 734325026 /nfs/dbraw/zinc/32/50/26/734325026.db2.gz VTONBYQFEXIGHE-FYQIFJIOSA-N 1 3 354.579 2.978 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000891543197 734443675 /nfs/dbraw/zinc/44/36/75/734443675.db2.gz QSYWMBNWNRIBCR-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000891543197 734443679 /nfs/dbraw/zinc/44/36/79/734443679.db2.gz QSYWMBNWNRIBCR-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000891543185 734443711 /nfs/dbraw/zinc/44/37/11/734443711.db2.gz QJJSMPIEVAEHRZ-MRXNPFEDSA-N 1 3 362.543 2.765 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000891543183 734443758 /nfs/dbraw/zinc/44/37/58/734443758.db2.gz QJJSMPIEVAEHRZ-INIZCTEOSA-N 1 3 362.543 2.765 20 0 FFADHO O=S(=O)(CCN1CCC[C@@H]1C1CCC1)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000728288832 734521798 /nfs/dbraw/zinc/52/17/98/734521798.db2.gz CLXMPCFLXNPFEH-WOJBJXKFSA-N 1 3 368.587 2.930 20 0 FFADHO O=S(=O)(CCN1CCC[C@@H]1C1CCC1)CC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000728288832 734521801 /nfs/dbraw/zinc/52/18/01/734521801.db2.gz CLXMPCFLXNPFEH-WOJBJXKFSA-N 1 3 368.587 2.930 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)Cc1ccco1 ZINC000892483293 734564326 /nfs/dbraw/zinc/56/43/26/734564326.db2.gz MSFAJQIXVGDBHD-MRXNPFEDSA-N 1 3 350.507 2.521 20 0 FFADHO CCN1CC[NH+](CCCCNCc2csc(C(F)(F)F)n2)CC1 ZINC000892568282 734574401 /nfs/dbraw/zinc/57/44/01/734574401.db2.gz HQIPGAJPVPSAJK-UHFFFAOYSA-N 1 3 350.454 2.669 20 0 FFADHO COC(=O)[C@@H]1[C@@H](CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1(F)F ZINC000894209894 734818956 /nfs/dbraw/zinc/81/89/56/734818956.db2.gz YKDZSOMTENEGIT-YUELXQCFSA-N 1 3 358.454 2.604 20 0 FFADHO COC(=O)[C@@H]1[C@@H](CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1(F)F ZINC000894209894 734818959 /nfs/dbraw/zinc/81/89/59/734818959.db2.gz YKDZSOMTENEGIT-YUELXQCFSA-N 1 3 358.454 2.604 20 0 FFADHO CC[NH+]1CCC(CCNCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894301492 734833010 /nfs/dbraw/zinc/83/30/10/734833010.db2.gz ZXTWFEHZTJOHSI-UHFFFAOYSA-N 1 3 372.966 2.845 20 0 FFADHO O[C@H](C[C@@H]1CCCCCN1C[C@H](O)C[NH+]1CCCC1)c1cccs1 ZINC000750983314 735833104 /nfs/dbraw/zinc/83/31/04/735833104.db2.gz JABVANRCDDNFDZ-RCCFBDPRSA-N 1 3 352.544 2.873 20 0 FFADHO CC(C)(CCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F)S(C)(=O)=O ZINC000902390541 735941069 /nfs/dbraw/zinc/94/10/69/735941069.db2.gz MVTPYIXIWGZCNW-INIZCTEOSA-N 1 3 362.486 2.938 20 0 FFADHO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000903722542 736160154 /nfs/dbraw/zinc/16/01/54/736160154.db2.gz MFRXORIICRJSPA-XKDXWZMYSA-N 1 3 371.308 2.652 20 0 FFADHO CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909739 736187093 /nfs/dbraw/zinc/18/70/93/736187093.db2.gz YFLWWBXVDLPEIC-MUKKUYKPSA-N 1 3 364.921 2.865 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968441 736196500 /nfs/dbraw/zinc/19/65/00/736196500.db2.gz WMFAHTIBIGJGRP-AGIUHOORSA-N 1 3 354.292 2.611 20 0 FFADHO COc1ccc(C[C@H](C)CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903974014 736197771 /nfs/dbraw/zinc/19/77/71/736197771.db2.gz SGVBSBKSGLQMEV-DOTOQJQBSA-N 1 3 350.478 2.761 20 0 FFADHO COc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(OC(F)F)c1 ZINC000904392604 736248214 /nfs/dbraw/zinc/24/82/14/736248214.db2.gz UZXCNIVJYJYSCC-HNNXBMFYSA-N 1 3 356.413 2.626 20 0 FFADHO CCC1([NH+]2CCCCC2)CCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000905523361 736351030 /nfs/dbraw/zinc/35/10/30/736351030.db2.gz RRCNNTSXYUIHIL-UHFFFAOYSA-N 1 3 352.592 2.686 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(C(F)F)nc3)C2)[C@H]1C(C)C ZINC000922391851 738136479 /nfs/dbraw/zinc/13/64/79/738136479.db2.gz BDDIOWILLIODJG-MTNOOBJLSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(C(F)F)nc3)C2)[C@H]1C(C)C ZINC000922391851 738136480 /nfs/dbraw/zinc/13/64/80/738136480.db2.gz BDDIOWILLIODJG-MTNOOBJLSA-N 1 3 353.457 2.979 20 0 FFADHO [NH3+]C[C@H](NC[C@H](O)COc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000923374765 738276791 /nfs/dbraw/zinc/27/67/91/738276791.db2.gz VRJIJAJRGHNUJK-HOCLYGCPSA-N 1 3 360.420 2.942 20 0 FFADHO CN(C)C1(C)CC[NH+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000931354096 739250295 /nfs/dbraw/zinc/25/02/95/739250295.db2.gz JLJOQKUEMOKZGU-UHFFFAOYSA-N 1 3 354.535 2.666 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000931432304 739263617 /nfs/dbraw/zinc/26/36/17/739263617.db2.gz LYOTWVKFUHAEKB-RDBSUJKOSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000931432304 739263620 /nfs/dbraw/zinc/26/36/20/739263620.db2.gz LYOTWVKFUHAEKB-RDBSUJKOSA-N 1 3 359.297 2.617 20 0 FFADHO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000798940224 740375522 /nfs/dbraw/zinc/37/55/22/740375522.db2.gz DZILJHNHCASVIM-APWZRJJASA-N 1 3 350.503 2.729 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCc2ccc(Cl)cc2)C1 ZINC000969698056 740738117 /nfs/dbraw/zinc/73/81/17/740738117.db2.gz BXBPJLZWAFCFQA-SPYBWZPUSA-N 1 3 363.933 2.659 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCc2ccc(Cl)cc2)C1 ZINC000969698056 740738120 /nfs/dbraw/zinc/73/81/20/740738120.db2.gz BXBPJLZWAFCFQA-SPYBWZPUSA-N 1 3 363.933 2.659 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC000969705799 740738688 /nfs/dbraw/zinc/73/86/88/740738688.db2.gz DUYNFHFPGLWWSY-AYOQOUSVSA-N 1 3 363.571 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC000969705799 740738691 /nfs/dbraw/zinc/73/86/91/740738691.db2.gz DUYNFHFPGLWWSY-AYOQOUSVSA-N 1 3 363.571 2.848 20 0 FFADHO CN(C)C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000811528008 741534137 /nfs/dbraw/zinc/53/41/37/741534137.db2.gz GHRIERMLTDZZFW-APWZRJJASA-N 1 3 353.457 2.757 20 0 FFADHO CN(C)C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000811528008 741534142 /nfs/dbraw/zinc/53/41/42/741534142.db2.gz GHRIERMLTDZZFW-APWZRJJASA-N 1 3 353.457 2.757 20 0 FFADHO CC[C@H](F)CN1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000158086 742078387 /nfs/dbraw/zinc/07/83/87/742078387.db2.gz PLSLICUMKPKKBX-OKZBNKHCSA-N 1 3 353.526 2.826 20 0 FFADHO CC[C@H](F)CN1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000158086 742078391 /nfs/dbraw/zinc/07/83/91/742078391.db2.gz PLSLICUMKPKKBX-OKZBNKHCSA-N 1 3 353.526 2.826 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934397 742223152 /nfs/dbraw/zinc/22/31/52/742223152.db2.gz GJNQBXLIRXDMKA-PIGZYNQJSA-N 1 3 364.287 2.995 20 0 FFADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000819060357 742331963 /nfs/dbraw/zinc/33/19/63/742331963.db2.gz HFVMSPBXZLFGCK-CRAIPNDOSA-N 1 3 356.869 2.746 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000819084267 742335874 /nfs/dbraw/zinc/33/58/74/742335874.db2.gz LSKQGBJIGIEINC-SCLBCKFNSA-N 1 3 356.869 2.603 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC001022104928 742643578 /nfs/dbraw/zinc/64/35/78/742643578.db2.gz GUQZKCVZJALZAS-BQDHKBFISA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC001022104928 742643581 /nfs/dbraw/zinc/64/35/81/742643581.db2.gz GUQZKCVZJALZAS-BQDHKBFISA-N 1 3 353.869 2.556 20 0 FFADHO Cc1cnc(CN[C@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001029102237 742805665 /nfs/dbraw/zinc/80/56/65/742805665.db2.gz WUUYLJNGAZLPBE-BFYDXBDKSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cnc(CN[C@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001029102237 742805670 /nfs/dbraw/zinc/80/56/70/742805670.db2.gz WUUYLJNGAZLPBE-BFYDXBDKSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C/C=C/Cl)C3)CC2)CC[N@@H+]1C ZINC001035188265 742945153 /nfs/dbraw/zinc/94/51/53/742945153.db2.gz XPBLJKSUZBILPE-MWXKITEQSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C/C=C/Cl)C3)CC2)CC[N@H+]1C ZINC001035188265 742945157 /nfs/dbraw/zinc/94/51/57/742945157.db2.gz XPBLJKSUZBILPE-MWXKITEQSA-N 1 3 353.938 2.784 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823637158 742952233 /nfs/dbraw/zinc/95/22/33/742952233.db2.gz GYNWVMSRJBXPLW-JXFKEZNVSA-N 1 3 351.535 2.953 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(C/C=C\Cl)C3)C2)CC[N@@H+]1C ZINC001045938438 743309082 /nfs/dbraw/zinc/30/90/82/743309082.db2.gz BDHFHBYCOHWRKW-KNMZDFEHSA-N 1 3 353.938 2.784 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(C/C=C\Cl)C3)C2)CC[N@H+]1C ZINC001045938438 743309092 /nfs/dbraw/zinc/30/90/92/743309092.db2.gz BDHFHBYCOHWRKW-KNMZDFEHSA-N 1 3 353.938 2.784 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000828961626 745146933 /nfs/dbraw/zinc/14/69/33/745146933.db2.gz SDYRHBPJZNMSFO-CVEARBPZSA-N 1 3 350.894 2.520 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830745059 745423873 /nfs/dbraw/zinc/42/38/73/745423873.db2.gz AYVDFRYJDBVJJM-ZBFHGGJFSA-N 1 3 352.910 2.624 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830745059 745423874 /nfs/dbraw/zinc/42/38/74/745423874.db2.gz AYVDFRYJDBVJJM-ZBFHGGJFSA-N 1 3 352.910 2.624 20 0 FFADHO CN1CCC(NC(=S)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000840793918 747184686 /nfs/dbraw/zinc/18/46/86/747184686.db2.gz ZPLHGTPSCWBPBY-UHFFFAOYSA-N 1 3 360.571 2.599 20 0 FFADHO CN1CCC(NC(=S)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000840793918 747184690 /nfs/dbraw/zinc/18/46/90/747184690.db2.gz ZPLHGTPSCWBPBY-UHFFFAOYSA-N 1 3 360.571 2.599 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000840848889 747202134 /nfs/dbraw/zinc/20/21/34/747202134.db2.gz XBLQQXCCFQAYEB-UHFFFAOYSA-N 1 3 356.605 2.574 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc(Cl)n1 ZINC000844178204 747983450 /nfs/dbraw/zinc/98/34/50/747983450.db2.gz MCSFPLRROQYDBV-CVEARBPZSA-N 1 3 350.894 2.520 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@H]3CN(C4CC4)C(=O)O3)C2)s1 ZINC000844327330 748006059 /nfs/dbraw/zinc/00/60/59/748006059.db2.gz PTFQVBLCUUWYCC-RDJZCZTQSA-N 1 3 363.527 2.793 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@H]3CN(C4CC4)C(=O)O3)C2)s1 ZINC000844327330 748006065 /nfs/dbraw/zinc/00/60/65/748006065.db2.gz PTFQVBLCUUWYCC-RDJZCZTQSA-N 1 3 363.527 2.793 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000849105787 749052048 /nfs/dbraw/zinc/05/20/48/749052048.db2.gz AVRHJPQGJKVZML-YUELXQCFSA-N 1 3 352.429 2.742 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(Br)c1 ZINC000849116415 749057156 /nfs/dbraw/zinc/05/71/56/749057156.db2.gz OXNQFOXAPOJUNZ-OAHLLOKOSA-N 1 3 353.308 2.590 20 0 FFADHO FC(F)(F)[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000850362752 749352467 /nfs/dbraw/zinc/35/24/67/749352467.db2.gz RYTMAZWXSYLWFH-DLBZAZTESA-N 1 3 357.420 2.993 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000648754480 1013050118 /nfs/dbraw/zinc/05/01/18/1013050118.db2.gz KUEUAIUDXXKLHO-RHSMWYFYSA-N 1 3 371.447 2.936 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000648754480 1013050134 /nfs/dbraw/zinc/05/01/34/1013050134.db2.gz KUEUAIUDXXKLHO-RHSMWYFYSA-N 1 3 371.447 2.936 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(CCN(C)Cc3ccccc3)CC2)C1 ZINC000659913100 970853275 /nfs/dbraw/zinc/85/32/75/970853275.db2.gz UMEUKTDRQZDHBY-SZPZYZBQSA-N 1 3 372.601 2.714 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(CCN(C)Cc3ccccc3)CC2)C1 ZINC000659913100 970853288 /nfs/dbraw/zinc/85/32/88/970853288.db2.gz UMEUKTDRQZDHBY-SZPZYZBQSA-N 1 3 372.601 2.714 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)ccc2F)C1 ZINC001104937501 971184903 /nfs/dbraw/zinc/18/49/03/971184903.db2.gz BFXJCSQBIHKLLV-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CO[C@@H](CN1CCN(c2ccccc2OCC[NH+](C)C)CC1)C1CCC1 ZINC000660077009 971224546 /nfs/dbraw/zinc/22/45/46/971224546.db2.gz PXUNDBVIRRESAL-NRFANRHFSA-N 1 3 361.530 2.564 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001105067328 971444943 /nfs/dbraw/zinc/44/49/43/971444943.db2.gz XAQMJCPIJOLRJM-IXDOHACOSA-N 1 3 359.505 2.836 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cc1C ZINC001087993707 971738631 /nfs/dbraw/zinc/73/86/31/971738631.db2.gz ZKFOVIGNSYUZSS-FSSWDIPSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cc1C ZINC001087993707 971738640 /nfs/dbraw/zinc/73/86/40/971738640.db2.gz ZKFOVIGNSYUZSS-FSSWDIPSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)cc1 ZINC001087994732 971743196 /nfs/dbraw/zinc/74/31/96/971743196.db2.gz ZTWGIWUSDPZVEW-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)cc1 ZINC001087994732 971743203 /nfs/dbraw/zinc/74/32/03/971743203.db2.gz ZTWGIWUSDPZVEW-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO O[C@]1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCCOC1 ZINC000652046716 971783435 /nfs/dbraw/zinc/78/34/35/971783435.db2.gz YRPMHYWCOZXDGD-MBDNFAEBSA-N 1 3 358.526 2.808 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088010813 971843144 /nfs/dbraw/zinc/84/31/44/971843144.db2.gz LIHCETVPNIIKGE-BHIFYINESA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088010813 971843151 /nfs/dbraw/zinc/84/31/51/971843151.db2.gz LIHCETVPNIIKGE-BHIFYINESA-N 1 3 371.569 2.912 20 0 FFADHO O=c1[nH]ccc2c1CN(Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000683164921 959204077 /nfs/dbraw/zinc/20/40/77/959204077.db2.gz WNVCSNMFXPCJBB-UHFFFAOYSA-N 1 3 353.466 2.820 20 0 FFADHO CC[C@H]1COC(C)(C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655163762 959555049 /nfs/dbraw/zinc/55/50/49/959555049.db2.gz YPZDDCVWKCUZJM-SFHVURJKSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@@H](CC)CO1 ZINC000655163834 959555532 /nfs/dbraw/zinc/55/55/32/959555532.db2.gz ZBWOZUWBCZWCLN-ICSRJNTNSA-N 1 3 365.562 2.599 20 0 FFADHO CCCc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC000969699458 959776065 /nfs/dbraw/zinc/77/60/65/959776065.db2.gz JYTJSMHEVBTRPU-CSODHUTKSA-N 1 3 357.542 2.916 20 0 FFADHO CCCc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000969699458 959776076 /nfs/dbraw/zinc/77/60/76/959776076.db2.gz JYTJSMHEVBTRPU-CSODHUTKSA-N 1 3 357.542 2.916 20 0 FFADHO c1cnn(Cc2cccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)c2)c1 ZINC000655697864 961100512 /nfs/dbraw/zinc/10/05/12/961100512.db2.gz UBGCCOAIYLDMEQ-OAQYLSRUSA-N 1 3 354.498 2.664 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655711921 961136089 /nfs/dbraw/zinc/13/60/89/961136089.db2.gz KHVCDTKKVOCXTC-SFHVURJKSA-N 1 3 355.530 2.605 20 0 FFADHO O=C(c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1)N1CCCCC1 ZINC000655725267 961178720 /nfs/dbraw/zinc/17/87/20/961178720.db2.gz QBJAOMSNZNFSIE-OAQYLSRUSA-N 1 3 371.525 2.656 20 0 FFADHO C[NH+]1CCN(Cc2cccc(NC(=O)[C@H](N)c3cccc(Cl)c3)c2)CC1 ZINC000649351791 1013369429 /nfs/dbraw/zinc/36/94/29/1013369429.db2.gz SDFMDZQMFOHQES-LJQANCHMSA-N 1 3 372.900 2.726 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000649360445 1013373101 /nfs/dbraw/zinc/37/31/01/1013373101.db2.gz XERMLTAKHZTWJU-GHTZIAJQSA-N 1 3 359.489 2.640 20 0 FFADHO Cc1nsc(C)c1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C ZINC001087134727 963075923 /nfs/dbraw/zinc/07/59/23/963075923.db2.gz CZRBFBLRYPOZKA-SKDZVZGDSA-N 1 3 364.559 2.571 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)c2ccccc2O1 ZINC000684162749 963540364 /nfs/dbraw/zinc/54/03/64/963540364.db2.gz HUHHGNMFKRTXIX-GOSISDBHSA-N 1 3 359.514 2.997 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)c2ccccc2O1 ZINC000684162749 963540370 /nfs/dbraw/zinc/54/03/70/963540370.db2.gz HUHHGNMFKRTXIX-GOSISDBHSA-N 1 3 359.514 2.997 20 0 FFADHO CCCOc1ccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873218662 1013432518 /nfs/dbraw/zinc/43/25/18/1013432518.db2.gz NGCKLULCSSRERY-UHFFFAOYSA-N 1 3 351.454 2.805 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@@H](C)C1CC[NH2+]CC1 ZINC000873222123 1013434244 /nfs/dbraw/zinc/43/42/44/1013434244.db2.gz AMBOZGLHTCEGSK-HNNXBMFYSA-N 1 3 356.470 2.527 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC000960642238 1013435909 /nfs/dbraw/zinc/43/59/09/1013435909.db2.gz OOZMHZWHXMUFRJ-NSISKUIASA-N 1 3 361.505 2.919 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(CF)cc2)CC[N@H+]1C ZINC000960642238 1013435912 /nfs/dbraw/zinc/43/59/12/1013435912.db2.gz OOZMHZWHXMUFRJ-NSISKUIASA-N 1 3 361.505 2.919 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1)N(C)C ZINC001104347424 963696256 /nfs/dbraw/zinc/69/62/56/963696256.db2.gz ZDIASYMEOSUEND-IDHHARJASA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001104348466 963738897 /nfs/dbraw/zinc/73/88/97/963738897.db2.gz GLFXVDFAZRGYLL-MGPQQGTHSA-N 1 3 350.334 2.720 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)c2)nn1 ZINC000873244043 1013444078 /nfs/dbraw/zinc/44/40/78/1013444078.db2.gz PNCYYCUSHUNTCZ-LJQANCHMSA-N 1 3 352.417 2.501 20 0 FFADHO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247779 1013447559 /nfs/dbraw/zinc/44/75/59/1013447559.db2.gz UGDQADNVFASYNH-OAHLLOKOSA-N 1 3 351.454 2.894 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCOC)C1 ZINC001104362939 964090838 /nfs/dbraw/zinc/09/08/38/964090838.db2.gz QFPQKSBAQIKWER-QZTJIDSGSA-N 1 3 355.567 2.608 20 0 FFADHO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000684409393 964321677 /nfs/dbraw/zinc/32/16/77/964321677.db2.gz NGMRENUJUQIANA-LJQANCHMSA-N 1 3 373.522 2.670 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001087165585 964465887 /nfs/dbraw/zinc/46/58/87/964465887.db2.gz CPLVQKLJIOUFEM-RYRKJORJSA-N 1 3 364.559 2.733 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001087165585 964465894 /nfs/dbraw/zinc/46/58/94/964465894.db2.gz CPLVQKLJIOUFEM-RYRKJORJSA-N 1 3 364.559 2.733 20 0 FFADHO CC(C)Oc1ccnc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000649571523 1013520987 /nfs/dbraw/zinc/52/09/87/1013520987.db2.gz MUGNHQCXAZMAJV-UHFFFAOYSA-N 1 3 360.546 2.859 20 0 FFADHO CCN(C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664709346 965015827 /nfs/dbraw/zinc/01/58/27/965015827.db2.gz BKKAXVJPVUINFQ-WOJBJXKFSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664709346 965015836 /nfs/dbraw/zinc/01/58/36/965015836.db2.gz BKKAXVJPVUINFQ-WOJBJXKFSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001087175634 965103629 /nfs/dbraw/zinc/10/36/29/965103629.db2.gz XVLVAHSCYWPJFL-NZSAHSFTSA-N 1 3 365.562 2.503 20 0 FFADHO c1csc(CN2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)n1 ZINC001167988233 966073731 /nfs/dbraw/zinc/07/37/31/966073731.db2.gz IPWIUYZZGFQTNV-BKNJSMIZSA-N 1 3 372.582 2.912 20 0 FFADHO COC[C@H](C)Oc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000657363739 966297863 /nfs/dbraw/zinc/29/78/63/966297863.db2.gz BAMWOAYWKJLREJ-PKOBYXMFSA-N 1 3 362.514 2.691 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001087212770 966579561 /nfs/dbraw/zinc/57/95/61/966579561.db2.gz PIYPWPYEFSVMFV-INMHGKMJSA-N 1 3 357.489 2.733 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnc(C)s1)N(C)C ZINC001087213703 966622698 /nfs/dbraw/zinc/62/26/98/966622698.db2.gz ILILUOVNXHCQIT-KMFMINBZSA-N 1 3 352.548 2.508 20 0 FFADHO O=c1[nH]c2ccccc2cc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596441 966942585 /nfs/dbraw/zinc/94/25/85/966942585.db2.gz WPRSOWKJGHMWPN-HXUWFJFHSA-N 1 3 363.461 2.797 20 0 FFADHO O=c1[nH]c2ccccc2cc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596441 966942590 /nfs/dbraw/zinc/94/25/90/966942590.db2.gz WPRSOWKJGHMWPN-HXUWFJFHSA-N 1 3 363.461 2.797 20 0 FFADHO CN1CCN(CC[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC000685043627 967064661 /nfs/dbraw/zinc/06/46/61/967064661.db2.gz XVTJBZWVHBBWBC-FQEVSTJZSA-N 1 3 358.574 2.655 20 0 FFADHO CN1CCN(c2ncccc2C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121174345 967099509 /nfs/dbraw/zinc/09/95/09/967099509.db2.gz ZZGRBKXSZKWSND-LJQANCHMSA-N 1 3 358.436 2.889 20 0 FFADHO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2C1 ZINC001167993937 967155400 /nfs/dbraw/zinc/15/54/00/967155400.db2.gz UCFGBQUTPYVLOD-PBJMVOQLSA-N 1 3 357.542 2.628 20 0 FFADHO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2C1 ZINC001167993937 967155410 /nfs/dbraw/zinc/15/54/10/967155410.db2.gz UCFGBQUTPYVLOD-PBJMVOQLSA-N 1 3 357.542 2.628 20 0 FFADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978804 967204252 /nfs/dbraw/zinc/20/42/52/967204252.db2.gz YKGKZFXFNOZUDK-PMACEKPBSA-N 1 3 373.541 2.592 20 0 FFADHO CN(CCCN(C)C(=O)NCc1cccc2c1CC[NH2+]C2)Cc1ccco1 ZINC000892334388 967447223 /nfs/dbraw/zinc/44/72/23/967447223.db2.gz FZPKWBYHODZAEE-UHFFFAOYSA-N 1 3 370.497 2.589 20 0 FFADHO Cc1ncsc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001087236116 967461662 /nfs/dbraw/zinc/46/16/62/967461662.db2.gz ITBRUZIHESOGPT-PVAVHDDUSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001087236116 967461669 /nfs/dbraw/zinc/46/16/69/967461669.db2.gz ITBRUZIHESOGPT-PVAVHDDUSA-N 1 3 364.559 2.510 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnn(Cc4ccccc4)c3)C2)C1 ZINC000650706391 967548903 /nfs/dbraw/zinc/54/89/03/967548903.db2.gz JRKNBWZMDAGDRI-HBMCJLEFSA-N 1 3 354.498 2.650 20 0 FFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001075800488 967668421 /nfs/dbraw/zinc/66/84/21/967668421.db2.gz ZXQYPAOSNZXTGP-UAZQYXFPSA-N 1 3 365.521 2.574 20 0 FFADHO Cc1ccc(F)cc1CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378443 967758375 /nfs/dbraw/zinc/75/83/75/967758375.db2.gz AKDQOKOWHIXXDE-MBOZVWFJSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)cc1CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023378443 967758383 /nfs/dbraw/zinc/75/83/83/967758383.db2.gz AKDQOKOWHIXXDE-MBOZVWFJSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@H]1CC(NCC2(N3CCCC3)COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012917 967947497 /nfs/dbraw/zinc/94/74/97/967947497.db2.gz FWIQMIOGIHJLMO-OALUTQOASA-N 1 3 357.542 2.882 20 0 FFADHO COCCOCCOCCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168014141 968015910 /nfs/dbraw/zinc/01/59/10/968015910.db2.gz KJVNAZFCXQIRTN-RTBURBONSA-N 1 3 364.530 2.697 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2c(C)cccc2Cl)CC[N@@H+]1C ZINC001267374504 968102461 /nfs/dbraw/zinc/10/24/61/968102461.db2.gz DFHVNNZAXLXKER-MAUKXSAKSA-N 1 3 351.922 2.927 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2c(C)cccc2Cl)CC[N@H+]1C ZINC001267374504 968102466 /nfs/dbraw/zinc/10/24/66/968102466.db2.gz DFHVNNZAXLXKER-MAUKXSAKSA-N 1 3 351.922 2.927 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1cccc(OC)c1 ZINC001087711731 968734103 /nfs/dbraw/zinc/73/41/03/968734103.db2.gz UDQWPYACRPFCEQ-VQTJNVASSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000177264049 969152771 /nfs/dbraw/zinc/15/27/71/969152771.db2.gz WUHROWHRWUSPMD-IAGOWNOFSA-N 1 3 369.550 2.865 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892577687 969510201 /nfs/dbraw/zinc/51/02/01/969510201.db2.gz BSMIXNMXCQSBGI-KOMQPUFPSA-N 1 3 372.435 2.516 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000659030390 969644968 /nfs/dbraw/zinc/64/49/68/969644968.db2.gz GNFINJYUQTYMBV-JTDSTZFVSA-N 1 3 360.502 2.732 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[N@H+]1CCCC[C@H]1C ZINC000659030390 969644973 /nfs/dbraw/zinc/64/49/73/969644973.db2.gz GNFINJYUQTYMBV-JTDSTZFVSA-N 1 3 360.502 2.732 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C[C@@H]1C ZINC000659034191 969651553 /nfs/dbraw/zinc/65/15/53/969651553.db2.gz ARIHYKIWGYUWQM-SNRMKQJTSA-N 1 3 360.502 2.684 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C[C@@H]1C ZINC000659034191 969651558 /nfs/dbraw/zinc/65/15/58/969651558.db2.gz ARIHYKIWGYUWQM-SNRMKQJTSA-N 1 3 360.502 2.684 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C(C)(C)C ZINC000659034875 969652024 /nfs/dbraw/zinc/65/20/24/969652024.db2.gz RJNLNMIMHMPEFO-ROUUACIJSA-N 1 3 362.518 2.835 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659045411 969663110 /nfs/dbraw/zinc/66/31/10/969663110.db2.gz WASDXKMDCFAYDE-VQTJNVASSA-N 1 3 374.529 2.980 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659042162 969663906 /nfs/dbraw/zinc/66/39/06/969663906.db2.gz UUHGWOSVYGFDHN-XLIONFOSSA-N 1 3 374.529 2.837 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659042162 969663910 /nfs/dbraw/zinc/66/39/10/969663910.db2.gz UUHGWOSVYGFDHN-XLIONFOSSA-N 1 3 374.529 2.837 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005088 969923687 /nfs/dbraw/zinc/92/36/87/969923687.db2.gz VWSNXPHYIBDCPB-UGKGYDQZSA-N 1 3 370.541 2.737 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000659456983 969950105 /nfs/dbraw/zinc/95/01/05/969950105.db2.gz VGYWZDOHCBUQAG-HOJAQTOUSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001104680946 970089509 /nfs/dbraw/zinc/08/95/09/970089509.db2.gz ZWWFDDLREGXYEY-YQVWRLOYSA-N 1 3 361.505 2.742 20 0 FFADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000665363905 970376738 /nfs/dbraw/zinc/37/67/38/970376738.db2.gz FIRXCOKLRWFBPQ-LJQANCHMSA-N 1 3 360.546 2.941 20 0 FFADHO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000895498573 970682683 /nfs/dbraw/zinc/68/26/83/970682683.db2.gz QQVSQPKNMCHQIJ-IBGZPJMESA-N 1 3 363.421 2.559 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000897156865 973391141 /nfs/dbraw/zinc/39/11/41/973391141.db2.gz AUVDCVFVSZWIPT-OUNSHVDWSA-N 1 3 361.530 2.971 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)c1 ZINC001088211294 973664946 /nfs/dbraw/zinc/66/49/46/973664946.db2.gz BKPNCPRCCGGNNR-RTWAWAEBSA-N 1 3 370.541 2.546 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C(F)(F)F ZINC001112181960 973759615 /nfs/dbraw/zinc/75/96/15/973759615.db2.gz GLWJKPKKHFQWBO-HUUCEWRRSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000665639332 973786464 /nfs/dbraw/zinc/78/64/64/973786464.db2.gz VGPHTNKEPLAALD-QFBILLFUSA-N 1 3 364.509 2.944 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000665639332 973786472 /nfs/dbraw/zinc/78/64/72/973786472.db2.gz VGPHTNKEPLAALD-QFBILLFUSA-N 1 3 364.509 2.944 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000665637044 973788493 /nfs/dbraw/zinc/78/84/93/973788493.db2.gz RWACTHFXYWXQCU-FXAWDEMLSA-N 1 3 360.546 2.977 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000665637044 973788506 /nfs/dbraw/zinc/78/85/06/973788506.db2.gz RWACTHFXYWXQCU-FXAWDEMLSA-N 1 3 360.546 2.977 20 0 FFADHO COC(=O)CO[C@H]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168066529 973897168 /nfs/dbraw/zinc/89/71/68/973897168.db2.gz PZAGRNOGXUQOLQ-HLIPFELVSA-N 1 3 360.498 2.692 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000665758953 974090296 /nfs/dbraw/zinc/09/02/96/974090296.db2.gz VCWWWALTFCQBKR-HOTGVXAUSA-N 1 3 364.509 2.726 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000665758953 974090305 /nfs/dbraw/zinc/09/03/05/974090305.db2.gz VCWWWALTFCQBKR-HOTGVXAUSA-N 1 3 364.509 2.726 20 0 FFADHO CC1(C)CC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000665855305 974228576 /nfs/dbraw/zinc/22/85/76/974228576.db2.gz NJSXYZGZSIYLLG-UHFFFAOYSA-N 1 3 372.557 2.624 20 0 FFADHO Fc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000662028674 975109560 /nfs/dbraw/zinc/10/95/60/975109560.db2.gz ACBAVNLYDDYCFY-RMVXJAJNSA-N 1 3 374.500 2.762 20 0 FFADHO Fc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000662028674 975109562 /nfs/dbraw/zinc/10/95/62/975109562.db2.gz ACBAVNLYDDYCFY-RMVXJAJNSA-N 1 3 374.500 2.762 20 0 FFADHO CC(C)(C)n1nnc(CCN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271583 975394303 /nfs/dbraw/zinc/39/43/03/975394303.db2.gz XLDBWMFEKIXVFY-MOPGFXCFSA-N 1 3 370.545 2.643 20 0 FFADHO Cn1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C2CCCC2)n1 ZINC000893563713 975410774 /nfs/dbraw/zinc/41/07/74/975410774.db2.gz IQZRPCDKIKZKQR-UHFFFAOYSA-N 1 3 373.589 2.927 20 0 FFADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2c(s1)CCNC2 ZINC000662383321 975466847 /nfs/dbraw/zinc/46/68/47/975466847.db2.gz LASNJIQHIZXOQR-UHFFFAOYSA-N 1 3 369.534 2.831 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000653260861 1014288190 /nfs/dbraw/zinc/28/81/90/1014288190.db2.gz MAIOFSLUFQNEGV-HKBOAZHASA-N 1 3 371.525 2.783 20 0 FFADHO C[C@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268064496 975993463 /nfs/dbraw/zinc/99/34/63/975993463.db2.gz RTUMQPWIKOXICH-UMVBOHGHSA-N 1 3 355.885 2.756 20 0 FFADHO C[C@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268064496 975993470 /nfs/dbraw/zinc/99/34/70/975993470.db2.gz RTUMQPWIKOXICH-UMVBOHGHSA-N 1 3 355.885 2.756 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769204 976065580 /nfs/dbraw/zinc/06/55/80/976065580.db2.gz XARSJEKWZAZQOT-QMMLZNLJSA-N 1 3 355.526 2.948 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769204 976065589 /nfs/dbraw/zinc/06/55/89/976065589.db2.gz XARSJEKWZAZQOT-QMMLZNLJSA-N 1 3 355.526 2.948 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000663512123 976085374 /nfs/dbraw/zinc/08/53/74/976085374.db2.gz MDYOVWLLFNXYMI-MRXNPFEDSA-N 1 3 357.477 2.646 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cccnc2C)CC3)CC[N@@H+]1C ZINC000990759534 976931143 /nfs/dbraw/zinc/93/11/43/976931143.db2.gz CPRKYJMSPIVATM-GPQLQYNLSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cccnc2C)CC3)CC[N@H+]1C ZINC000990759534 976931155 /nfs/dbraw/zinc/93/11/55/976931155.db2.gz CPRKYJMSPIVATM-GPQLQYNLSA-N 1 3 370.541 2.734 20 0 FFADHO COc1cccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)c1 ZINC000990759530 976932541 /nfs/dbraw/zinc/93/25/41/976932541.db2.gz CKBDYHUPAIIDOG-KREFBHGWSA-N 1 3 371.525 2.649 20 0 FFADHO COc1cccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)c1 ZINC000990759530 976932552 /nfs/dbraw/zinc/93/25/52/976932552.db2.gz CKBDYHUPAIIDOG-KREFBHGWSA-N 1 3 371.525 2.649 20 0 FFADHO CC(C)c1cccc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)n1 ZINC001268214289 977153334 /nfs/dbraw/zinc/15/33/34/977153334.db2.gz TZZNBSLGTSISMY-YVWKXTFCSA-N 1 3 360.546 2.776 20 0 FFADHO CC(C)c1cccc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)n1 ZINC001268214289 977153339 /nfs/dbraw/zinc/15/33/39/977153339.db2.gz TZZNBSLGTSISMY-YVWKXTFCSA-N 1 3 360.546 2.776 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000893878561 977579600 /nfs/dbraw/zinc/57/96/00/977579600.db2.gz SJBUWZVJUQDGSI-YSIASYRMSA-N 1 3 358.530 2.805 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152233174 977805376 /nfs/dbraw/zinc/80/53/76/977805376.db2.gz PCXAVAVPRFPMLF-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968725639 1014480671 /nfs/dbraw/zinc/48/06/71/1014480671.db2.gz YFARIBGIGGAMKN-BHIYHBOVSA-N 1 3 359.514 2.505 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968725639 1014480678 /nfs/dbraw/zinc/48/06/78/1014480678.db2.gz YFARIBGIGGAMKN-BHIYHBOVSA-N 1 3 359.514 2.505 20 0 FFADHO CCc1ccc(CN2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1 ZINC001076203882 979219041 /nfs/dbraw/zinc/21/90/41/979219041.db2.gz HYOCBXLMDJAGPD-LEWJYISDSA-N 1 3 355.526 2.624 20 0 FFADHO CCOc1cc(C[NH2+]CC2(N)CC2)ccc1OCC(=O)Nc1ccccc1 ZINC000904449040 980279128 /nfs/dbraw/zinc/27/91/28/980279128.db2.gz DWJWCEOREWZISJ-UHFFFAOYSA-N 1 3 369.465 2.684 20 0 FFADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)CC1(O)CCCCC1 ZINC000905905882 980536442 /nfs/dbraw/zinc/53/64/42/980536442.db2.gz HJORDRJHMJFTBN-OAQYLSRUSA-N 1 3 360.542 2.729 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000906915922 981172237 /nfs/dbraw/zinc/17/22/37/981172237.db2.gz TYGGTQKAJQUGMU-SFHVURJKSA-N 1 3 359.514 2.704 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000906915922 981172241 /nfs/dbraw/zinc/17/22/41/981172241.db2.gz TYGGTQKAJQUGMU-SFHVURJKSA-N 1 3 359.514 2.704 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOc3cccc(C)c3)[C@@H]2C)CC[N@@H+]1C ZINC001088579638 981291201 /nfs/dbraw/zinc/29/12/01/981291201.db2.gz UCAOCTZPIBGIDB-BVOGOJNSSA-N 1 3 373.541 2.683 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOc3cccc(C)c3)[C@@H]2C)CC[N@H+]1C ZINC001088579638 981291206 /nfs/dbraw/zinc/29/12/06/981291206.db2.gz UCAOCTZPIBGIDB-BVOGOJNSSA-N 1 3 373.541 2.683 20 0 FFADHO CC[NH+]1CCC(C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001272090943 981405538 /nfs/dbraw/zinc/40/55/38/981405538.db2.gz OZYBXWOTTGDVDZ-OAQYLSRUSA-N 1 3 358.530 2.561 20 0 FFADHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(OC)c1OC ZINC000650722555 1014749927 /nfs/dbraw/zinc/74/99/27/1014749927.db2.gz WNBUQIKGWJHVAD-BRWVUGGUSA-N 1 3 364.486 2.573 20 0 FFADHO CC[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000760466731 982417634 /nfs/dbraw/zinc/41/76/34/982417634.db2.gz HERJMNOQMHNXIQ-FQEVSTJZSA-N 1 3 374.598 2.629 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001088703056 983022260 /nfs/dbraw/zinc/02/22/60/983022260.db2.gz ZBDJNFXHPLZQBW-OAGGEKHMSA-N 1 3 355.473 2.629 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001088703056 983022267 /nfs/dbraw/zinc/02/22/67/983022267.db2.gz ZBDJNFXHPLZQBW-OAGGEKHMSA-N 1 3 355.473 2.629 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000878230348 1014932328 /nfs/dbraw/zinc/93/23/28/1014932328.db2.gz IYRXMUISXCSTQF-UHFFFAOYSA-N 1 3 374.916 2.778 20 0 FFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC000911763805 983892467 /nfs/dbraw/zinc/89/24/67/983892467.db2.gz JTLXZNOBPIKRQN-IBGZPJMESA-N 1 3 353.466 2.722 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000913096400 984182659 /nfs/dbraw/zinc/18/26/59/984182659.db2.gz AERLGAINHISSAF-DYESRHJHSA-N 1 3 355.526 2.888 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc2)CC1 ZINC000669402590 984532643 /nfs/dbraw/zinc/53/26/43/984532643.db2.gz LWCTXTLPRQGHGY-HMXCVIKNSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669405705 984535421 /nfs/dbraw/zinc/53/54/21/984535421.db2.gz PTWWDDQSPNMGLD-HRAATJIYSA-N 1 3 364.493 2.925 20 0 FFADHO CN(CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Cc1ccccc1 ZINC000669406111 984535695 /nfs/dbraw/zinc/53/56/95/984535695.db2.gz LEVIWMOYXNKAGU-WOJBJXKFSA-N 1 3 358.530 2.540 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1C)CC2)N(C)C ZINC001107450759 984555775 /nfs/dbraw/zinc/55/57/75/984555775.db2.gz MIAHDMJKLMSEMT-SFHLNBCPSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1C)CC2)N(C)C ZINC001107450759 984555779 /nfs/dbraw/zinc/55/57/79/984555779.db2.gz MIAHDMJKLMSEMT-SFHLNBCPSA-N 1 3 358.530 2.591 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000669483554 984649483 /nfs/dbraw/zinc/64/94/83/984649483.db2.gz BAQLWVYKMUCYLN-SLFFLAALSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000669483916 984650788 /nfs/dbraw/zinc/65/07/88/984650788.db2.gz SFFKKELQMSDPAC-DFQSSKMNSA-N 1 3 358.530 2.901 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CC2)CC3)C1 ZINC001107550195 984668437 /nfs/dbraw/zinc/66/84/37/984668437.db2.gz PJDPZCIHERQFTA-UIFIKXQLSA-N 1 3 365.537 2.970 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC2)CC3)C1 ZINC001107550195 984668440 /nfs/dbraw/zinc/66/84/40/984668440.db2.gz PJDPZCIHERQFTA-UIFIKXQLSA-N 1 3 365.537 2.970 20 0 FFADHO C[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000878498137 1015072165 /nfs/dbraw/zinc/07/21/65/1015072165.db2.gz BOBXJECMHNSKPO-UHFFFAOYSA-N 1 3 373.419 2.620 20 0 FFADHO C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107614219 984820753 /nfs/dbraw/zinc/82/07/53/984820753.db2.gz YDAGNVRLNPOCBZ-TZIWHRDSSA-N 1 3 358.530 2.674 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107615534 984829354 /nfs/dbraw/zinc/82/93/54/984829354.db2.gz GCQNROQKMPYKJU-TZIWHRDSSA-N 1 3 358.530 2.674 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107615534 984829365 /nfs/dbraw/zinc/82/93/65/984829365.db2.gz GCQNROQKMPYKJU-TZIWHRDSSA-N 1 3 358.530 2.674 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107618039 984844215 /nfs/dbraw/zinc/84/42/15/984844215.db2.gz ZMGPAFYEKGMFHE-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCC)CCC[C@@H]12 ZINC001107618039 984844237 /nfs/dbraw/zinc/84/42/37/984844237.db2.gz ZMGPAFYEKGMFHE-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO C[C@H](CN[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C[NH+]1CCCCC1 ZINC000765241608 985000086 /nfs/dbraw/zinc/00/00/86/985000086.db2.gz ZGLZGKWWBPBDOC-SJBKTWHCSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000669691393 985170057 /nfs/dbraw/zinc/17/00/57/985170057.db2.gz DZLMWSYXSDYGNM-OAQYLSRUSA-N 1 3 355.530 2.630 20 0 FFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C)N1CCCCCC1 ZINC001088897321 985374153 /nfs/dbraw/zinc/37/41/53/985374153.db2.gz DWFNVIIQSAKYGL-GGPKGHCWSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C)N1CCCCCC1 ZINC001088897321 985374160 /nfs/dbraw/zinc/37/41/60/985374160.db2.gz DWFNVIIQSAKYGL-GGPKGHCWSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc(NC(=O)[C@@H]2CCCN2CC(C)C)cc1NC(=O)CC[NH+](C)C ZINC001120632242 985415950 /nfs/dbraw/zinc/41/59/50/985415950.db2.gz GAPHBLSYMAVSTD-IBGZPJMESA-N 1 3 374.529 2.944 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C2CCC2)cc1 ZINC001089038805 986055118 /nfs/dbraw/zinc/05/51/18/986055118.db2.gz LZBCWKRSFUOLJO-HBGVWJBISA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C2CCC2)cc1 ZINC001089038805 986055123 /nfs/dbraw/zinc/05/51/23/986055123.db2.gz LZBCWKRSFUOLJO-HBGVWJBISA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001007369055 1015202812 /nfs/dbraw/zinc/20/28/12/1015202812.db2.gz OWMANEYTKYKUAB-IRFCIJBXSA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001007369055 1015202817 /nfs/dbraw/zinc/20/28/17/1015202817.db2.gz OWMANEYTKYKUAB-IRFCIJBXSA-N 1 3 368.525 2.979 20 0 FFADHO CC(C)c1cccc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189090 986381862 /nfs/dbraw/zinc/38/18/62/986381862.db2.gz IDAKTHILXFNYEY-NZSAHSFTSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)c1cccc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189090 986381871 /nfs/dbraw/zinc/38/18/71/986381871.db2.gz IDAKTHILXFNYEY-NZSAHSFTSA-N 1 3 358.530 2.626 20 0 FFADHO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000878829693 1015240325 /nfs/dbraw/zinc/24/03/25/1015240325.db2.gz MAGGHJFHWJKGAE-UHFFFAOYSA-N 1 3 374.448 2.617 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc[nH]c(=O)c3)C2)ccn1 ZINC000879018915 1015326929 /nfs/dbraw/zinc/32/69/29/1015326929.db2.gz KPKBVEHANPDXME-LJQANCHMSA-N 1 3 356.470 2.676 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc[nH]c(=O)c3)C2)ccn1 ZINC000879018915 1015326933 /nfs/dbraw/zinc/32/69/33/1015326933.db2.gz KPKBVEHANPDXME-LJQANCHMSA-N 1 3 356.470 2.676 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001106249125 987757098 /nfs/dbraw/zinc/75/70/98/987757098.db2.gz AFFTUJLDSPQJSU-UIFIKXQLSA-N 1 3 357.542 2.562 20 0 FFADHO CO[C@@H]1CN(CCC(C)C)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212493991 987757126 /nfs/dbraw/zinc/75/71/26/987757126.db2.gz NJLIPVFKGNROIB-QZTJIDSGSA-N 1 3 353.551 2.501 20 0 FFADHO CO[C@@H]1CN(CCC(C)C)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212493991 987757129 /nfs/dbraw/zinc/75/71/29/987757129.db2.gz NJLIPVFKGNROIB-QZTJIDSGSA-N 1 3 353.551 2.501 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCc1ccccc1 ZINC001106255684 987769189 /nfs/dbraw/zinc/76/91/89/987769189.db2.gz DWUHXTUYWABPHI-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000673142684 987826681 /nfs/dbraw/zinc/82/66/81/987826681.db2.gz PSPHOLBMZAPPPI-AEFFLSMTSA-N 1 3 371.485 2.636 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000673235961 987894481 /nfs/dbraw/zinc/89/44/81/987894481.db2.gz HITKXVFLCBIWNZ-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC000922389715 988537582 /nfs/dbraw/zinc/53/75/82/988537582.db2.gz VSBNSVFRWCAGGZ-XWSHUIEDSA-N 1 3 366.509 2.713 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC000922389715 988537589 /nfs/dbraw/zinc/53/75/89/988537589.db2.gz VSBNSVFRWCAGGZ-XWSHUIEDSA-N 1 3 366.509 2.713 20 0 FFADHO COc1cc(C)cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1OC ZINC000922389236 988537764 /nfs/dbraw/zinc/53/77/64/988537764.db2.gz HYCIGUREKBCMCX-JYWFKMLOSA-N 1 3 362.514 2.582 20 0 FFADHO COc1cc(C)cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1OC ZINC000922389236 988537775 /nfs/dbraw/zinc/53/77/75/988537775.db2.gz HYCIGUREKBCMCX-JYWFKMLOSA-N 1 3 362.514 2.582 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@H]1C(C)C ZINC000922395311 988545182 /nfs/dbraw/zinc/54/51/82/988545182.db2.gz UYMUXFNNLZOCEQ-HNBVOPMISA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@H]1C(C)C ZINC000922395311 988545190 /nfs/dbraw/zinc/54/51/90/988545190.db2.gz UYMUXFNNLZOCEQ-HNBVOPMISA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@H]1C(C)C ZINC000922396629 988565544 /nfs/dbraw/zinc/56/55/44/988565544.db2.gz YRQOIIADEOXTAD-ZHHKINOHSA-N 1 3 357.542 2.920 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@H]1C(C)C ZINC000922396629 988565551 /nfs/dbraw/zinc/56/55/51/988565551.db2.gz YRQOIIADEOXTAD-ZHHKINOHSA-N 1 3 357.542 2.920 20 0 FFADHO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)s1 ZINC001106673313 988624300 /nfs/dbraw/zinc/62/43/00/988624300.db2.gz VFPFRUATTYXLFX-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC[NH+](CC3CC3)CC2)o1 ZINC000193762897 988912773 /nfs/dbraw/zinc/91/27/73/988912773.db2.gz CLMPYJLKDNABDU-UHFFFAOYSA-N 1 3 362.518 2.536 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCOC(C)C)[C@H](C)C1 ZINC001106775394 989013467 /nfs/dbraw/zinc/01/34/67/989013467.db2.gz BKQRIRHUULUZOZ-WOJBJXKFSA-N 1 3 369.594 2.998 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCOC2)[C@H](C)C1 ZINC001106775699 989019349 /nfs/dbraw/zinc/01/93/49/989019349.db2.gz ZGJMONCMDJJTDD-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)cc1 ZINC001106785018 989056531 /nfs/dbraw/zinc/05/65/31/989056531.db2.gz SNQLGTPXCAAJKZ-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000194263155 989196705 /nfs/dbraw/zinc/19/67/05/989196705.db2.gz BQLFBUPADRKLBQ-UHFFFAOYSA-N 1 3 364.509 2.772 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCCC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000652142096 1015476149 /nfs/dbraw/zinc/47/61/49/1015476149.db2.gz IHWKFRTYWHDWGK-HXUWFJFHSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346003 1015531947 /nfs/dbraw/zinc/53/19/47/1015531947.db2.gz QRZYXUNITVDUOG-WDCLZLQXSA-N 1 3 365.562 2.534 20 0 FFADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345546 1015534143 /nfs/dbraw/zinc/53/41/43/1015534143.db2.gz DVUVMEFSCCBWEO-KHWKGDQTSA-N 1 3 371.525 2.571 20 0 FFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000652346962 1015535499 /nfs/dbraw/zinc/53/54/99/1015535499.db2.gz MNTQRDUTKMENBZ-VMXMFDLUSA-N 1 3 373.541 2.699 20 0 FFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361129 1015538504 /nfs/dbraw/zinc/53/85/04/1015538504.db2.gz YNZVNRLVPMOHCW-HBMCJLEFSA-N 1 3 373.541 2.784 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3cncs3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089392449 990264852 /nfs/dbraw/zinc/26/48/52/990264852.db2.gz UIRMDIQKNRGUHG-HLLBOEOZSA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3cncs3)CC(C)(C)C2)CC[N@H+]1C ZINC001089392449 990264861 /nfs/dbraw/zinc/26/48/61/990264861.db2.gz UIRMDIQKNRGUHG-HLLBOEOZSA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000130240271 990503182 /nfs/dbraw/zinc/50/31/82/990503182.db2.gz ACJICOHVXCDMKK-SLYNCCJLSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000130240271 990503193 /nfs/dbraw/zinc/50/31/93/990503193.db2.gz ACJICOHVXCDMKK-SLYNCCJLSA-N 1 3 370.541 2.918 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000676221980 990512724 /nfs/dbraw/zinc/51/27/24/990512724.db2.gz KRMSCSNSXRBWNU-HXUWFJFHSA-N 1 3 358.530 2.951 20 0 FFADHO CC[N@H+]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000676221980 990512729 /nfs/dbraw/zinc/51/27/29/990512729.db2.gz KRMSCSNSXRBWNU-HXUWFJFHSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@H](CCN1CCC(c2c[nH]cn2)CC1)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000676251965 990525945 /nfs/dbraw/zinc/52/59/45/990525945.db2.gz UFGIPFQTVYXLCF-MRXNPFEDSA-N 1 3 356.518 2.970 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920566598 990876796 /nfs/dbraw/zinc/87/67/96/990876796.db2.gz HTRAAYCPGBWDEI-HIFRSBDPSA-N 1 3 366.408 2.735 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920566598 990876804 /nfs/dbraw/zinc/87/68/04/990876804.db2.gz HTRAAYCPGBWDEI-HIFRSBDPSA-N 1 3 366.408 2.735 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923498669 991193251 /nfs/dbraw/zinc/19/32/51/991193251.db2.gz KOUWEMPXWXOLQO-HQRMLTQVSA-N 1 3 359.514 2.666 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923498670 991193464 /nfs/dbraw/zinc/19/34/64/991193464.db2.gz KOUWEMPXWXOLQO-KPFFTGBYSA-N 1 3 359.514 2.666 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC001106910674 991525383 /nfs/dbraw/zinc/52/53/83/991525383.db2.gz JHDQGHCUYATDDH-VQIMIIECSA-N 1 3 356.514 2.694 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC001106910596 991525701 /nfs/dbraw/zinc/52/57/01/991525701.db2.gz FQHRVIUYKIALPV-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)s1 ZINC001079707715 992347773 /nfs/dbraw/zinc/34/77/73/992347773.db2.gz RLFBMZASISFZER-ZNZDAUKMSA-N 1 3 361.555 2.643 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cc1C ZINC001080037030 992687170 /nfs/dbraw/zinc/68/71/70/992687170.db2.gz CYRPIUZCXUTDLM-UYAOXDASSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188675 992807152 /nfs/dbraw/zinc/80/71/52/992807152.db2.gz PDNYZKAWOPDUGP-NSISKUIASA-N 1 3 359.558 2.878 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188675 992807159 /nfs/dbraw/zinc/80/71/59/992807159.db2.gz PDNYZKAWOPDUGP-NSISKUIASA-N 1 3 359.558 2.878 20 0 FFADHO CC(C)(O)[C@@H]1CCN(C[C@@H](C[N@@H+]2CC[C@H](C(C)(C)O)C2)c2ccccc2)C1 ZINC000880151075 1015768509 /nfs/dbraw/zinc/76/85/09/1015768509.db2.gz XIEMYBTUKCXHKQ-WKCHPHFGSA-N 1 3 374.569 2.956 20 0 FFADHO CC(C)(O)[C@@H]1CCN(C[C@@H](C[N@H+]2CC[C@H](C(C)(C)O)C2)c2ccccc2)C1 ZINC000880151075 1015768517 /nfs/dbraw/zinc/76/85/17/1015768517.db2.gz XIEMYBTUKCXHKQ-WKCHPHFGSA-N 1 3 374.569 2.956 20 0 FFADHO CC(C)(O)[C@@H]1CC[N@@H+](C[C@@H](CN2CC[C@H](C(C)(C)O)C2)c2ccccc2)C1 ZINC000880151075 1015768520 /nfs/dbraw/zinc/76/85/20/1015768520.db2.gz XIEMYBTUKCXHKQ-WKCHPHFGSA-N 1 3 374.569 2.956 20 0 FFADHO CC(C)(O)[C@@H]1CC[N@H+](C[C@@H](CN2CC[C@H](C(C)(C)O)C2)c2ccccc2)C1 ZINC000880151075 1015768527 /nfs/dbraw/zinc/76/85/27/1015768527.db2.gz XIEMYBTUKCXHKQ-WKCHPHFGSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754316 993337807 /nfs/dbraw/zinc/33/78/07/993337807.db2.gz HHSHTPZGEYYKCY-DYESRHJHSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080780732 993358336 /nfs/dbraw/zinc/35/83/36/993358336.db2.gz ABXHECBYISCJQR-HGHGUNKESA-N 1 3 366.509 2.513 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080780732 993358337 /nfs/dbraw/zinc/35/83/37/993358337.db2.gz ABXHECBYISCJQR-HGHGUNKESA-N 1 3 366.509 2.513 20 0 FFADHO CO[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC001081799163 993976628 /nfs/dbraw/zinc/97/66/28/993976628.db2.gz FJEVIPLVPCAKPQ-GUDVDZBRSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC001081799163 993976632 /nfs/dbraw/zinc/97/66/32/993976632.db2.gz FJEVIPLVPCAKPQ-GUDVDZBRSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3cn(C)cn3)cc2)C[C@@H]1C ZINC000808402418 994113409 /nfs/dbraw/zinc/11/34/09/994113409.db2.gz BBMWQFCDDAPQBO-ROUUACIJSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1ccccc1Cl ZINC001082515310 994797282 /nfs/dbraw/zinc/79/72/82/994797282.db2.gz INTXTECBLZADAY-LSBZLQRGSA-N 1 3 361.917 2.618 20 0 FFADHO CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000810556472 994816900 /nfs/dbraw/zinc/81/69/00/994816900.db2.gz NLQLBPKJAICBTK-WIYYLYMNSA-N 1 3 361.505 2.932 20 0 FFADHO CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000810556472 994816908 /nfs/dbraw/zinc/81/69/08/994816908.db2.gz NLQLBPKJAICBTK-WIYYLYMNSA-N 1 3 361.505 2.932 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC001082556876 994925608 /nfs/dbraw/zinc/92/56/08/994925608.db2.gz GMBMDHQUGUKOCG-CRAIPNDOSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001082559954 994934187 /nfs/dbraw/zinc/93/41/87/994934187.db2.gz UKILRMPROWWRKV-IPHXSNPTSA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC001082559615 994934249 /nfs/dbraw/zinc/93/42/49/994934249.db2.gz KLXAMYACKDCHRF-XFJVYGCCSA-N 1 3 355.935 2.678 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082559360 994934386 /nfs/dbraw/zinc/93/43/86/994934386.db2.gz CDFSQFFDLHVUQS-NXOUGTEYSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC001082561725 994944773 /nfs/dbraw/zinc/94/47/73/994944773.db2.gz MYNTWVXRHYUOQH-BFYDXBDKSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082570208 994965740 /nfs/dbraw/zinc/96/57/40/994965740.db2.gz BWOFDQXVAPQFMZ-NIKGAXFTSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082570208 994965753 /nfs/dbraw/zinc/96/57/53/994965753.db2.gz BWOFDQXVAPQFMZ-NIKGAXFTSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccc(F)cc1F ZINC001082570515 994968238 /nfs/dbraw/zinc/96/82/38/994968238.db2.gz OTJUMJPBFMFWRY-DKSSEZFCSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCc1ccc(F)cc1F ZINC001082570515 994968245 /nfs/dbraw/zinc/96/82/45/994968245.db2.gz OTJUMJPBFMFWRY-DKSSEZFCSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cccc2Cl)C1)N(C)C ZINC001082589080 995001194 /nfs/dbraw/zinc/00/11/94/995001194.db2.gz HDQNNPUAIRSXHV-ZTFGCOKTSA-N 1 3 351.922 2.925 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc3cccnc32)C1)N(C)C ZINC001082589000 995001820 /nfs/dbraw/zinc/00/18/20/995001820.db2.gz BZHFEGLSHIFPHD-ATZDWAIDSA-N 1 3 354.498 2.512 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082612506 995089545 /nfs/dbraw/zinc/08/95/45/995089545.db2.gz RBKBBRLWCLYSQU-NSISKUIASA-N 1 3 361.505 2.883 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082612506 995089552 /nfs/dbraw/zinc/08/95/52/995089552.db2.gz RBKBBRLWCLYSQU-NSISKUIASA-N 1 3 361.505 2.883 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457712 1015920071 /nfs/dbraw/zinc/92/00/71/1015920071.db2.gz LHVRGRYESFLRFL-AQNXPRMDSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cc2ccccc2o1 ZINC001082861461 995665430 /nfs/dbraw/zinc/66/54/30/995665430.db2.gz BTUNESWFZSGARP-JTDSTZFVSA-N 1 3 355.482 2.711 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cc2ccccc2o1 ZINC001082861461 995665436 /nfs/dbraw/zinc/66/54/36/995665436.db2.gz BTUNESWFZSGARP-JTDSTZFVSA-N 1 3 355.482 2.711 20 0 FFADHO COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000280280237 995814917 /nfs/dbraw/zinc/81/49/17/995814917.db2.gz YLUUZZGRKRYZRL-KXBFYZLASA-N 1 3 360.498 2.782 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001082943387 995881617 /nfs/dbraw/zinc/88/16/17/995881617.db2.gz GVKKKPMPYUZKKV-OIISXLGYSA-N 1 3 364.921 2.546 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1)[NH+]1CCCCC1 ZINC001082943777 995882928 /nfs/dbraw/zinc/88/29/28/995882928.db2.gz CRRFGZMXWGLAAM-NXHRZFHOSA-N 1 3 364.559 2.590 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001084347269 996475444 /nfs/dbraw/zinc/47/54/44/996475444.db2.gz LOADOFZYRJIICM-YPAWHYETSA-N 1 3 367.537 2.624 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001084355350 996482363 /nfs/dbraw/zinc/48/23/63/996482363.db2.gz SLYUMRDWYLFSDM-VURPSTOHSA-N 1 3 355.526 2.676 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001084355350 996482366 /nfs/dbraw/zinc/48/23/66/996482366.db2.gz SLYUMRDWYLFSDM-VURPSTOHSA-N 1 3 355.526 2.676 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001084356059 996483165 /nfs/dbraw/zinc/48/31/65/996483165.db2.gz XOIYQDPRGZMJPZ-QYRPDUKASA-N 1 3 355.526 2.622 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)c1 ZINC001084356059 996483168 /nfs/dbraw/zinc/48/31/68/996483168.db2.gz XOIYQDPRGZMJPZ-QYRPDUKASA-N 1 3 355.526 2.622 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)C1 ZINC001084403468 996545626 /nfs/dbraw/zinc/54/56/26/996545626.db2.gz VWJPLSPDPJTHEH-NJDAHSKKSA-N 1 3 359.558 2.997 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)C1 ZINC001084403468 996545628 /nfs/dbraw/zinc/54/56/28/996545628.db2.gz VWJPLSPDPJTHEH-NJDAHSKKSA-N 1 3 359.558 2.997 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639112 996744749 /nfs/dbraw/zinc/74/47/49/996744749.db2.gz FTMFEDWNOJAPDA-NJDAHSKKSA-N 1 3 357.542 2.868 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2CC[N@H+](CCCc3ccsc3)C[C@H]21 ZINC001084661135 996781708 /nfs/dbraw/zinc/78/17/08/996781708.db2.gz IGBLBDHGHIPLOP-BHIYHBOVSA-N 1 3 361.555 2.698 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2CC[N@@H+](CCCc3ccsc3)C[C@H]21 ZINC001084661135 996781715 /nfs/dbraw/zinc/78/17/15/996781715.db2.gz IGBLBDHGHIPLOP-BHIYHBOVSA-N 1 3 361.555 2.698 20 0 FFADHO CCOC(=O)N1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000824187140 996808941 /nfs/dbraw/zinc/80/89/41/996808941.db2.gz DDXKYMSVMYXBII-FXAWDEMLSA-N 1 3 359.514 2.902 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c(C)s1 ZINC001084775704 997286805 /nfs/dbraw/zinc/28/68/05/997286805.db2.gz RIDVVRLDOPZGQP-ZHALLVOQSA-N 1 3 361.555 2.739 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)c(C)s1 ZINC001084775704 997286818 /nfs/dbraw/zinc/28/68/18/997286818.db2.gz RIDVVRLDOPZGQP-ZHALLVOQSA-N 1 3 361.555 2.739 20 0 FFADHO CCCN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000843989467 997566402 /nfs/dbraw/zinc/56/64/02/997566402.db2.gz OKYLKKICHQMFIS-BLRBJFNZSA-N 1 3 359.514 2.583 20 0 FFADHO CC1CC(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cccc(CN(C)C)c4)[C@@H]3C2)C1 ZINC001084850101 997660216 /nfs/dbraw/zinc/66/02/16/997660216.db2.gz JYMNYUXGZLAALM-JBBFKITRSA-N 1 3 355.526 2.941 20 0 FFADHO CC1CC(C[N@H+]2CC[C@@H]3CN(C(=O)c4cccc(CN(C)C)c4)[C@@H]3C2)C1 ZINC001084850101 997660220 /nfs/dbraw/zinc/66/02/20/997660220.db2.gz JYMNYUXGZLAALM-JBBFKITRSA-N 1 3 355.526 2.941 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)[NH+]1CCCC1 ZINC001084853093 997666714 /nfs/dbraw/zinc/66/67/14/997666714.db2.gz FWVFTEWRYNEKTM-KZNAEPCWSA-N 1 3 369.500 2.685 20 0 FFADHO CC[C@H](C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)N(CC)CC ZINC000844163665 997688205 /nfs/dbraw/zinc/68/82/05/997688205.db2.gz RFAUMEPYLPYNGK-GOSISDBHSA-N 1 3 361.486 2.654 20 0 FFADHO Fc1ccc(OC2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c(F)c1 ZINC000903723913 1016155576 /nfs/dbraw/zinc/15/55/76/1016155576.db2.gz ZDEZJJHWERYXSJ-KRWDZBQOSA-N 1 3 366.452 2.967 20 0 FFADHO c1cc2c(c([C@@H]3CCCN3C[C@@H]3CC4(CO3)CC[NH2+]CC4)c1)OCCO2 ZINC000903726874 1016157628 /nfs/dbraw/zinc/15/76/28/1016157628.db2.gz OOMVSQVBPOYJSP-WMZOPIPTSA-N 1 3 358.482 2.753 20 0 FFADHO O=C1[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CN1CN1CC[C@@H](C2CC2)C1 ZINC000844697677 998105366 /nfs/dbraw/zinc/10/53/66/998105366.db2.gz IWCRBNXPHVDDQC-HKBOAZHASA-N 1 3 353.510 2.656 20 0 FFADHO O=C1[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CN1CN1CC[C@@H](C2CC2)C1 ZINC000844697677 998105369 /nfs/dbraw/zinc/10/53/69/998105369.db2.gz IWCRBNXPHVDDQC-HKBOAZHASA-N 1 3 353.510 2.656 20 0 FFADHO COc1cc2c(cc1OC)C1(CCC1)N(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903786626 1016198551 /nfs/dbraw/zinc/19/85/51/1016198551.db2.gz NCLQFSKDDHWURJ-UTKZUKDTSA-N 1 3 372.509 2.710 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]32)cs1 ZINC001084958812 998360737 /nfs/dbraw/zinc/36/07/37/998360737.db2.gz XDPOBAUWCBBUTB-NZSAHSFTSA-N 1 3 361.555 2.820 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]32)cs1 ZINC001084958812 998360748 /nfs/dbraw/zinc/36/07/48/998360748.db2.gz XDPOBAUWCBBUTB-NZSAHSFTSA-N 1 3 361.555 2.820 20 0 FFADHO COc1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CN4CCC[C@H]4C)C[C@@H]32)c1 ZINC001085031946 998715262 /nfs/dbraw/zinc/71/52/62/998715262.db2.gz GEKRBZIEEBGBFA-QFUCXCTJSA-N 1 3 371.525 2.602 20 0 FFADHO COc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CN4CCC[C@H]4C)C[C@@H]32)c1 ZINC001085031946 998715267 /nfs/dbraw/zinc/71/52/67/998715267.db2.gz GEKRBZIEEBGBFA-QFUCXCTJSA-N 1 3 371.525 2.602 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)C[C@@H]32)cs1 ZINC001085033057 998723412 /nfs/dbraw/zinc/72/34/12/998723412.db2.gz OPFHAZUNJGRRFG-IPELMVKDSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)C[C@@H]32)cs1 ZINC001085033057 998723414 /nfs/dbraw/zinc/72/34/14/998723414.db2.gz OPFHAZUNJGRRFG-IPELMVKDSA-N 1 3 361.555 2.821 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085032385 998731025 /nfs/dbraw/zinc/73/10/25/998731025.db2.gz DMAGDMKKSOSCNV-JKALWCLISA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085032385 998731029 /nfs/dbraw/zinc/73/10/29/998731029.db2.gz DMAGDMKKSOSCNV-JKALWCLISA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2F)CC[N@@H+]1C ZINC001085202117 999153697 /nfs/dbraw/zinc/15/36/97/999153697.db2.gz OXSGMDCBDQMXBC-ZQNRLITLSA-N 1 3 365.468 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2F)CC[N@H+]1C ZINC001085202117 999153699 /nfs/dbraw/zinc/15/36/99/999153699.db2.gz OXSGMDCBDQMXBC-ZQNRLITLSA-N 1 3 365.468 2.822 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001085225239 999194783 /nfs/dbraw/zinc/19/47/83/999194783.db2.gz NZNKZPBMQFJVSN-GUDVDZBRSA-N 1 3 362.518 2.763 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001085225239 999194785 /nfs/dbraw/zinc/19/47/85/999194785.db2.gz NZNKZPBMQFJVSN-GUDVDZBRSA-N 1 3 362.518 2.763 20 0 FFADHO OCC1([C@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc2)CCOCC1 ZINC000903929733 1016310756 /nfs/dbraw/zinc/31/07/56/1016310756.db2.gz KICRVJJGQHNNCO-JOCHJYFZSA-N 1 3 366.505 2.952 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001085332951 999380105 /nfs/dbraw/zinc/38/01/05/999380105.db2.gz SYYQTAPTXVDPJS-NIKGAXFTSA-N 1 3 365.468 2.824 20 0 FFADHO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H](CN)Cc2cnn(C)c2C)cc1 ZINC000903932606 1016312089 /nfs/dbraw/zinc/31/20/89/1016312089.db2.gz SVYGJVLWHHIDNM-CTNGQTDRSA-N 1 3 370.541 2.952 20 0 FFADHO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H](CN)Cc2cnn(C)c2C)cc1 ZINC000903932606 1016312097 /nfs/dbraw/zinc/31/20/97/1016312097.db2.gz SVYGJVLWHHIDNM-CTNGQTDRSA-N 1 3 370.541 2.952 20 0 FFADHO COc1ccc(C[C@@H]2CCCCN2C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903932606 1016312104 /nfs/dbraw/zinc/31/21/04/1016312104.db2.gz SVYGJVLWHHIDNM-CTNGQTDRSA-N 1 3 370.541 2.952 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC001085406107 999465001 /nfs/dbraw/zinc/46/50/01/999465001.db2.gz PHGNBWKMJOFBCZ-QZTJIDSGSA-N 1 3 358.461 2.659 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC001086090799 999761615 /nfs/dbraw/zinc/76/16/15/999761615.db2.gz RJVPPWQLCDUZNT-YIYPIFLZSA-N 1 3 355.935 2.726 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3sccc3Cl)C2)CC[N@H+]1C ZINC001086090799 999761617 /nfs/dbraw/zinc/76/16/17/999761617.db2.gz RJVPPWQLCDUZNT-YIYPIFLZSA-N 1 3 355.935 2.726 20 0 FFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168832638 1000000514 /nfs/dbraw/zinc/00/05/14/1000000514.db2.gz FQLWXFAEGOYOSY-XSLAGTTESA-N 1 3 367.534 2.617 20 0 FFADHO COc1cc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(Br)c1O ZINC001205995559 1000007599 /nfs/dbraw/zinc/00/75/99/1000007599.db2.gz PBXDUMYWYWNIGF-YPMHNXCESA-N 1 3 357.292 2.970 20 0 FFADHO COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(Br)c1[O-] ZINC001205995559 1000007600 /nfs/dbraw/zinc/00/76/00/1000007600.db2.gz PBXDUMYWYWNIGF-YPMHNXCESA-N 1 3 357.292 2.970 20 0 FFADHO COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(Br)c1[O-] ZINC001205995559 1000007603 /nfs/dbraw/zinc/00/76/03/1000007603.db2.gz PBXDUMYWYWNIGF-YPMHNXCESA-N 1 3 357.292 2.970 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001109473784 1000519702 /nfs/dbraw/zinc/51/97/02/1000519702.db2.gz FTTQDSZNZATTEI-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001109473784 1000519707 /nfs/dbraw/zinc/51/97/07/1000519707.db2.gz FTTQDSZNZATTEI-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001109473784 1000519710 /nfs/dbraw/zinc/51/97/10/1000519710.db2.gz FTTQDSZNZATTEI-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109473784 1000519713 /nfs/dbraw/zinc/51/97/13/1000519713.db2.gz FTTQDSZNZATTEI-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN([C@H]3CCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001000702550 1016444709 /nfs/dbraw/zinc/44/47/09/1016444709.db2.gz UISVUWYDDAAHHC-VMRPVKRXSA-N 1 3 371.500 2.902 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN([C@H]3CCc4ccc(F)cc43)CC2)CC[N@H+]1C ZINC001000702550 1016444717 /nfs/dbraw/zinc/44/47/17/1016444717.db2.gz UISVUWYDDAAHHC-VMRPVKRXSA-N 1 3 371.500 2.902 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091673129 1001034434 /nfs/dbraw/zinc/03/44/34/1001034434.db2.gz ZXGWRDJHIBQAPB-HLIPFELVSA-N 1 3 353.526 2.779 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001109928396 1001162406 /nfs/dbraw/zinc/16/24/06/1001162406.db2.gz ULJXTLUIYXRELQ-HOJAQTOUSA-N 1 3 359.514 2.519 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001109928396 1001162411 /nfs/dbraw/zinc/16/24/11/1001162411.db2.gz ULJXTLUIYXRELQ-HOJAQTOUSA-N 1 3 359.514 2.519 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1C ZINC001109928210 1001162507 /nfs/dbraw/zinc/16/25/07/1001162507.db2.gz MAWPIMFESDHFOH-AABGKKOBSA-N 1 3 373.541 2.827 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1C ZINC001109928210 1001162512 /nfs/dbraw/zinc/16/25/12/1001162512.db2.gz MAWPIMFESDHFOH-AABGKKOBSA-N 1 3 373.541 2.827 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cs1 ZINC001091738289 1001183677 /nfs/dbraw/zinc/18/36/77/1001183677.db2.gz TUSNBIBIDHMHNJ-GGPKGHCWSA-N 1 3 361.555 2.677 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cs1 ZINC001091738289 1001183678 /nfs/dbraw/zinc/18/36/78/1001183678.db2.gz TUSNBIBIDHMHNJ-GGPKGHCWSA-N 1 3 361.555 2.677 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737700 1001183770 /nfs/dbraw/zinc/18/37/70/1001183770.db2.gz HTDAEIPKNLYHJA-JXWVOPHYSA-N 1 3 367.537 2.820 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737700 1001183774 /nfs/dbraw/zinc/18/37/74/1001183774.db2.gz HTDAEIPKNLYHJA-JXWVOPHYSA-N 1 3 367.537 2.820 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCc4ccccc43)C[C@@]2(C)C1)C1CCC1 ZINC001091742962 1001201545 /nfs/dbraw/zinc/20/15/45/1001201545.db2.gz HBLDKDLVYOQCLA-AAIMPIBUSA-N 1 3 367.537 2.939 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@@]2(C)C1)C1CCC1 ZINC001091742962 1001201551 /nfs/dbraw/zinc/20/15/51/1001201551.db2.gz HBLDKDLVYOQCLA-AAIMPIBUSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3Cl)C2)C1 ZINC001086875055 1001313393 /nfs/dbraw/zinc/31/33/93/1001313393.db2.gz CXCLEXXDUXTGBB-SOUVJXGZSA-N 1 3 367.896 2.805 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3Cl)C2)C1 ZINC001086875055 1001313399 /nfs/dbraw/zinc/31/33/99/1001313399.db2.gz CXCLEXXDUXTGBB-SOUVJXGZSA-N 1 3 367.896 2.805 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCc1ccccc1 ZINC001110017834 1001318807 /nfs/dbraw/zinc/31/88/07/1001318807.db2.gz OSPJYYJCTSSOQE-HKBOAZHASA-N 1 3 373.541 2.657 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCc1ccccc1 ZINC001110017834 1001318816 /nfs/dbraw/zinc/31/88/16/1001318816.db2.gz OSPJYYJCTSSOQE-HKBOAZHASA-N 1 3 373.541 2.657 20 0 FFADHO CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112585599 1001536305 /nfs/dbraw/zinc/53/63/05/1001536305.db2.gz HNVDABVRIHLPCJ-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000677825091 1016530886 /nfs/dbraw/zinc/53/08/86/1016530886.db2.gz HQFUBPMKHPUURP-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000677825091 1016530896 /nfs/dbraw/zinc/53/08/96/1016530896.db2.gz HQFUBPMKHPUURP-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CC1CCC3(CC3)CC1)C2 ZINC001092050486 1002320977 /nfs/dbraw/zinc/32/09/77/1002320977.db2.gz UQARFJPRQGDLQP-XLIONFOSSA-N 1 3 356.514 2.703 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CC1CCC3(CC3)CC1)C2 ZINC001092050486 1002320989 /nfs/dbraw/zinc/32/09/89/1002320989.db2.gz UQARFJPRQGDLQP-XLIONFOSSA-N 1 3 356.514 2.703 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157823 1002444050 /nfs/dbraw/zinc/44/40/50/1002444050.db2.gz QRGKLYPIEKPIGC-HBFSDRIKSA-N 1 3 353.526 2.635 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccccc1 ZINC001086590836 1002472390 /nfs/dbraw/zinc/47/23/90/1002472390.db2.gz BDZNTLYZTGZCFC-ZCNNSNEGSA-N 1 3 361.505 2.805 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1 ZINC001086590836 1002472395 /nfs/dbraw/zinc/47/23/95/1002472395.db2.gz BDZNTLYZTGZCFC-ZCNNSNEGSA-N 1 3 361.505 2.805 20 0 FFADHO CCCOc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)c1 ZINC001096887277 1016680813 /nfs/dbraw/zinc/68/08/13/1016680813.db2.gz FZXWFGCZPYNRRR-AYWYSENESA-N 1 3 371.525 2.791 20 0 FFADHO CCCOc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)c1 ZINC001096887277 1016680817 /nfs/dbraw/zinc/68/08/17/1016680817.db2.gz FZXWFGCZPYNRRR-AYWYSENESA-N 1 3 371.525 2.791 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCCF)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC001086605530 1002931907 /nfs/dbraw/zinc/93/19/07/1002931907.db2.gz JIEMAZHHBRTYON-FRYIKTPZSA-N 1 3 361.505 2.661 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCCF)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC001086605530 1002931919 /nfs/dbraw/zinc/93/19/19/1002931919.db2.gz JIEMAZHHBRTYON-FRYIKTPZSA-N 1 3 361.505 2.661 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC001092603073 1003211595 /nfs/dbraw/zinc/21/15/95/1003211595.db2.gz SSZHXFRIFZVEJY-HMXCVIKNSA-N 1 3 357.542 2.786 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C ZINC001092603073 1003211605 /nfs/dbraw/zinc/21/16/05/1003211605.db2.gz SSZHXFRIFZVEJY-HMXCVIKNSA-N 1 3 357.542 2.786 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092658492 1003364469 /nfs/dbraw/zinc/36/44/69/1003364469.db2.gz XIBKBLQTGWZOKL-OIISXLGYSA-N 1 3 357.489 2.590 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092658492 1003364482 /nfs/dbraw/zinc/36/44/82/1003364482.db2.gz XIBKBLQTGWZOKL-OIISXLGYSA-N 1 3 357.489 2.590 20 0 FFADHO [NH3+]C[C@@]1(F)CCCN(Cc2cnc3cc(Br)ccn23)CC1 ZINC001205581998 1004072336 /nfs/dbraw/zinc/07/23/36/1004072336.db2.gz VZZZVBAQEWJWMO-OAHLLOKOSA-N 1 3 355.255 2.750 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(Cc4cnccc4C)C[C@H]32)CC[N@@H+]1C ZINC001050051424 1016875013 /nfs/dbraw/zinc/87/50/13/1016875013.db2.gz UILMTLHDGUJDRI-MJUUVYJYSA-N 1 3 370.541 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(Cc4cnccc4C)C[C@H]32)CC[N@H+]1C ZINC001050051424 1016875024 /nfs/dbraw/zinc/87/50/24/1016875024.db2.gz UILMTLHDGUJDRI-MJUUVYJYSA-N 1 3 370.541 2.543 20 0 FFADHO Nc1nccc(F)c1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170525684 1004615773 /nfs/dbraw/zinc/61/57/73/1004615773.db2.gz MGWJYHAJOCUDJG-UHFFFAOYSA-N 1 3 353.445 2.712 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCCC1CC1 ZINC001198741777 1004719025 /nfs/dbraw/zinc/71/90/25/1004719025.db2.gz MLVZFSJWUCHQMO-SZVBFZGTSA-N 1 3 359.514 2.582 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCCC1CC1 ZINC001198741777 1004719030 /nfs/dbraw/zinc/71/90/30/1004719030.db2.gz MLVZFSJWUCHQMO-SZVBFZGTSA-N 1 3 359.514 2.582 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3c[nH]c(-c4ccccc4)n3)CC2)CC1 ZINC001199906222 1005047882 /nfs/dbraw/zinc/04/78/82/1005047882.db2.gz HPJVLSYYNQDQBV-UHFFFAOYSA-N 1 3 353.514 2.725 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC/C=C/c3ccccc3)CC2)CC[N@@H+]1C ZINC001195894096 1005061963 /nfs/dbraw/zinc/06/19/63/1005061963.db2.gz QVBNQYHMSJBEEY-LOFRFSAXSA-N 1 3 355.526 2.964 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC/C=C/c3ccccc3)CC2)CC[N@H+]1C ZINC001195894096 1005061968 /nfs/dbraw/zinc/06/19/68/1005061968.db2.gz QVBNQYHMSJBEEY-LOFRFSAXSA-N 1 3 355.526 2.964 20 0 FFADHO C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CN(CCCC(F)(F)F)C3)CC2)C1 ZINC001273835163 1005113774 /nfs/dbraw/zinc/11/37/74/1005113774.db2.gz LEPYNIRWDPVGSV-OAHLLOKOSA-N 1 3 361.452 2.595 20 0 FFADHO C[N@H+]1CCC[C@@H](C(=O)N2CCC3(CN(CCCC(F)(F)F)C3)CC2)C1 ZINC001273835163 1005113776 /nfs/dbraw/zinc/11/37/76/1005113776.db2.gz LEPYNIRWDPVGSV-OAHLLOKOSA-N 1 3 361.452 2.595 20 0 FFADHO C[C@H](NCc1cccnc1)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001050263609 1016946253 /nfs/dbraw/zinc/94/62/53/1016946253.db2.gz LSOHDESLSAFVRV-CSODHUTKSA-N 1 3 366.509 2.889 20 0 FFADHO C[C@H](NCc1cccnc1)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001050263609 1016946262 /nfs/dbraw/zinc/94/62/62/1016946262.db2.gz LSOHDESLSAFVRV-CSODHUTKSA-N 1 3 366.509 2.889 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001488966867 1005388084 /nfs/dbraw/zinc/38/80/84/1005388084.db2.gz XAFCNKPDFQUYJV-MAUKXSAKSA-N 1 3 365.481 2.817 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000852186539 1005948921 /nfs/dbraw/zinc/94/89/21/1005948921.db2.gz FHUNDOMSUADMJU-XDNAFOTISA-N 1 3 371.566 2.559 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000852186539 1005948923 /nfs/dbraw/zinc/94/89/23/1005948923.db2.gz FHUNDOMSUADMJU-XDNAFOTISA-N 1 3 371.566 2.559 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1)[C@H]1C[NH+]2CCC1CC2 ZINC001097085832 1017014283 /nfs/dbraw/zinc/01/42/83/1017014283.db2.gz QNBCGVXVPXDSTI-WCIQWLHISA-N 1 3 373.566 2.744 20 0 FFADHO C[NH+]1CCC(CN2CCN([C@@H]3CCc4cc(F)cc(F)c4C3)CC2)CC1 ZINC001170715703 1006076729 /nfs/dbraw/zinc/07/67/29/1006076729.db2.gz MUGQWKINBCQCFW-LJQANCHMSA-N 1 3 363.496 2.782 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852880435 1006220060 /nfs/dbraw/zinc/22/00/60/1006220060.db2.gz NFQOIHYVALORHS-UHFFFAOYSA-N 1 3 369.431 2.905 20 0 FFADHO C[C@H]1CN(C[C@H](O)c2cccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000815077812 1006510368 /nfs/dbraw/zinc/51/03/68/1006510368.db2.gz DXRRWFJSIKSDOJ-NMNUPHIUSA-N 1 3 367.537 2.831 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000854335199 1006784935 /nfs/dbraw/zinc/78/49/35/1006784935.db2.gz WVROFUZVRGTNHK-SJLPKXTDSA-N 1 3 369.594 2.873 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCCC(F)(F)F)C[C@H]32)C1 ZINC001189127789 1006916778 /nfs/dbraw/zinc/91/67/78/1006916778.db2.gz ZOQBGEVJKQHYBK-HRCADAONSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCCC(F)(F)F)C[C@H]32)C1 ZINC001189127789 1006916783 /nfs/dbraw/zinc/91/67/83/1006916783.db2.gz ZOQBGEVJKQHYBK-HRCADAONSA-N 1 3 361.452 2.594 20 0 FFADHO c1cc(CN2CCOCC3(CC[NH+]([C@@H]4CCCOCC4)CC3)C2)ccn1 ZINC001170819827 1006998400 /nfs/dbraw/zinc/99/84/00/1006998400.db2.gz HMHSLQLSQFMSGS-HXUWFJFHSA-N 1 3 359.514 2.565 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc(Cl)ccc1Cl ZINC000855345944 1007294708 /nfs/dbraw/zinc/29/47/08/1007294708.db2.gz KYDGDPIMQWGLJL-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc(Cl)ccc1Cl ZINC000855345944 1007294714 /nfs/dbraw/zinc/29/47/14/1007294714.db2.gz KYDGDPIMQWGLJL-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001189891011 1007359622 /nfs/dbraw/zinc/35/96/22/1007359622.db2.gz NAHVNMCSGYVMHJ-KXDZFCSZSA-N 1 3 355.526 2.964 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001189891011 1007359636 /nfs/dbraw/zinc/35/96/36/1007359636.db2.gz NAHVNMCSGYVMHJ-KXDZFCSZSA-N 1 3 355.526 2.964 20 0 FFADHO CC(C)n1ccc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001170861747 1007541967 /nfs/dbraw/zinc/54/19/67/1007541967.db2.gz HGNVUVREKSXLDU-YQVWRLOYSA-N 1 3 363.550 2.569 20 0 FFADHO CC(C)n1ccc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001170861747 1007541985 /nfs/dbraw/zinc/54/19/85/1007541985.db2.gz HGNVUVREKSXLDU-YQVWRLOYSA-N 1 3 363.550 2.569 20 0 FFADHO Cc1cnc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001170861998 1007560879 /nfs/dbraw/zinc/56/08/79/1007560879.db2.gz JIWFIFLOCXNSHZ-FVQBIDKESA-N 1 3 352.548 2.556 20 0 FFADHO Cc1cnc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001170861998 1007560913 /nfs/dbraw/zinc/56/09/13/1007560913.db2.gz JIWFIFLOCXNSHZ-FVQBIDKESA-N 1 3 352.548 2.556 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077777147 1007848974 /nfs/dbraw/zinc/84/89/74/1007848974.db2.gz YOSSLBDTVWZKTD-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077777147 1007848990 /nfs/dbraw/zinc/84/89/90/1007848990.db2.gz YOSSLBDTVWZKTD-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccccc1F ZINC000819120213 1008048774 /nfs/dbraw/zinc/04/87/74/1008048774.db2.gz ADDAICZFSNQDGZ-NRFANRHFSA-N 1 3 358.457 2.606 20 0 FFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1F ZINC000819120213 1008048780 /nfs/dbraw/zinc/04/87/80/1008048780.db2.gz ADDAICZFSNQDGZ-NRFANRHFSA-N 1 3 358.457 2.606 20 0 FFADHO COc1ccc(OC)c([C@@H](O)CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859212730 1008488662 /nfs/dbraw/zinc/48/86/62/1008488662.db2.gz NNIVSVWBRLGBTC-FQEVSTJZSA-N 1 3 358.482 2.931 20 0 FFADHO CCn1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC001177328374 1008568771 /nfs/dbraw/zinc/56/87/71/1008568771.db2.gz LRKWRNADAMZDGK-UHFFFAOYSA-N 1 3 369.557 2.899 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3C[C@@]34CCOC4)C2)ccn1 ZINC000886294761 1008625242 /nfs/dbraw/zinc/62/52/42/1008625242.db2.gz PAHVDJQDDJMDPQ-DUXKGJEZSA-N 1 3 359.514 2.802 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3C[C@@]34CCOC4)C2)ccn1 ZINC000886294761 1008625250 /nfs/dbraw/zinc/62/52/50/1008625250.db2.gz PAHVDJQDDJMDPQ-DUXKGJEZSA-N 1 3 359.514 2.802 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3C[C@]34CCOC4)C2)ccn1 ZINC000886294764 1008626173 /nfs/dbraw/zinc/62/61/73/1008626173.db2.gz PAHVDJQDDJMDPQ-WMQCIHAUSA-N 1 3 359.514 2.802 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3C[C@]34CCOC4)C2)ccn1 ZINC000886294764 1008626179 /nfs/dbraw/zinc/62/61/79/1008626179.db2.gz PAHVDJQDDJMDPQ-WMQCIHAUSA-N 1 3 359.514 2.802 20 0 FFADHO CC(C)c1nc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC001177557463 1008658315 /nfs/dbraw/zinc/65/83/15/1008658315.db2.gz GFTJBAFFNZVITM-UHFFFAOYSA-N 1 3 359.543 2.963 20 0 FFADHO COC(=O)N1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886520778 1008713684 /nfs/dbraw/zinc/71/36/84/1008713684.db2.gz MNVFFLZVIIHSTD-MUGJNUQGSA-N 1 3 357.498 2.860 20 0 FFADHO Cc1cccc2nc(CC[NH2+]C3CCC(C)(N4CCOCC4)CC3)cn21 ZINC001206559610 1032343038 /nfs/dbraw/zinc/34/30/38/1032343038.db2.gz GOKDYVVCXDOMPH-UHFFFAOYSA-N 1 3 356.514 2.808 20 0 FFADHO CC(C)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnn(C)c1 ZINC000886588154 1008756792 /nfs/dbraw/zinc/75/67/92/1008756792.db2.gz LYXAGQKJPKJYRB-LEWJYISDSA-N 1 3 356.514 2.864 20 0 FFADHO CC(C)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(C)c1 ZINC000886588154 1008756799 /nfs/dbraw/zinc/75/67/99/1008756799.db2.gz LYXAGQKJPKJYRB-LEWJYISDSA-N 1 3 356.514 2.864 20 0 FFADHO COc1ccccc1CN(C)C(=O)C[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886670311 1008804865 /nfs/dbraw/zinc/80/48/65/1008804865.db2.gz MSLUBXZBJFXPQY-UHFFFAOYSA-N 1 3 370.497 2.873 20 0 FFADHO Nc1ccnc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000886932916 1008944041 /nfs/dbraw/zinc/94/40/41/1008944041.db2.gz UALZQLOXLYPBDY-UHFFFAOYSA-N 1 3 371.510 2.577 20 0 FFADHO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001178860648 1009172127 /nfs/dbraw/zinc/17/21/27/1009172127.db2.gz HHIPRNCTCILTNR-PKOBYXMFSA-N 1 3 361.505 2.884 20 0 FFADHO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001178860648 1009172133 /nfs/dbraw/zinc/17/21/33/1009172133.db2.gz HHIPRNCTCILTNR-PKOBYXMFSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@H](c1ccncc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000125671931 1009202133 /nfs/dbraw/zinc/20/21/33/1009202133.db2.gz FCLDIDODLHHICD-HXUWFJFHSA-N 1 3 373.545 2.733 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001179371223 1009327883 /nfs/dbraw/zinc/32/78/83/1009327883.db2.gz HTEKYLYUKIFBHA-LJQANCHMSA-N 1 3 355.526 2.942 20 0 FFADHO COc1cc(CN2CCC(C[NH3+])(c3ccccc3)CC2)cc2c1OCO2 ZINC001206750276 1032408820 /nfs/dbraw/zinc/40/88/20/1032408820.db2.gz YTXFABATOSEPAW-UHFFFAOYSA-N 1 3 354.450 2.916 20 0 FFADHO Cc1nocc1CN1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056965 1009727212 /nfs/dbraw/zinc/72/72/12/1009727212.db2.gz XZXLGKVYPDGWEZ-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@H](NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862343519 1009798332 /nfs/dbraw/zinc/79/83/32/1009798332.db2.gz QWPKNBFWHVANJX-IRXDYDNUSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862343519 1009798338 /nfs/dbraw/zinc/79/83/38/1009798338.db2.gz QWPKNBFWHVANJX-IRXDYDNUSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)Cc1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863550540 1010252331 /nfs/dbraw/zinc/25/23/31/1010252331.db2.gz ZCJNWFHMSHJCAH-UXHICEINSA-N 1 3 357.498 2.642 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)s1 ZINC001093768580 1010541478 /nfs/dbraw/zinc/54/14/78/1010541478.db2.gz ZWXXXEZTIQWLRF-DJIMGWMZSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)s1 ZINC001093768580 1010541488 /nfs/dbraw/zinc/54/14/88/1010541488.db2.gz ZWXXXEZTIQWLRF-DJIMGWMZSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C)cs1 ZINC001093836038 1010605978 /nfs/dbraw/zinc/60/59/78/1010605978.db2.gz UIAFYZOENWLAFZ-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C)cs1 ZINC001093836038 1010605992 /nfs/dbraw/zinc/60/59/92/1010605992.db2.gz UIAFYZOENWLAFZ-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)OC(C)(C)C4)CC2)CC1 ZINC000865063241 1010700428 /nfs/dbraw/zinc/70/04/28/1010700428.db2.gz BXJZZUKIUSXXHS-UHFFFAOYSA-N 1 3 371.525 2.689 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001094040405 1010802126 /nfs/dbraw/zinc/80/21/26/1010802126.db2.gz HXKYLTWCOGEBOD-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3sccc3Cl)[C@H](C)C2)C1 ZINC001094042180 1010805126 /nfs/dbraw/zinc/80/51/26/1010805126.db2.gz MWRZSZSWNONXOL-RBSFLKMASA-N 1 3 369.962 2.927 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C)c1nc2ccccc2o1 ZINC001094221063 1010942900 /nfs/dbraw/zinc/94/29/00/1010942900.db2.gz MZLHMLVCOWTJHF-IXDOHACOSA-N 1 3 370.497 2.669 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCNCCC1(C)C ZINC000866700419 1011039991 /nfs/dbraw/zinc/03/99/91/1011039991.db2.gz XJQWXEFEJUTYLF-UHFFFAOYSA-N 1 3 369.513 2.892 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCNCCC1(C)C ZINC000866700419 1011039996 /nfs/dbraw/zinc/03/99/96/1011039996.db2.gz XJQWXEFEJUTYLF-UHFFFAOYSA-N 1 3 369.513 2.892 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161438 1011326587 /nfs/dbraw/zinc/32/65/87/1011326587.db2.gz FGEQQPCGDQQYND-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161438 1011326595 /nfs/dbraw/zinc/32/65/95/1011326595.db2.gz FGEQQPCGDQQYND-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001274397648 1011420866 /nfs/dbraw/zinc/42/08/66/1011420866.db2.gz SHHHMHROXIGXJD-OAHLLOKOSA-N 1 3 361.452 2.594 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001274397648 1011420870 /nfs/dbraw/zinc/42/08/70/1011420870.db2.gz SHHHMHROXIGXJD-OAHLLOKOSA-N 1 3 361.452 2.594 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC001274638153 1011550535 /nfs/dbraw/zinc/55/05/35/1011550535.db2.gz LBCLPLLSXBXLGR-NEWSRXKRSA-N 1 3 361.917 2.857 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC001274638153 1011550552 /nfs/dbraw/zinc/55/05/52/1011550552.db2.gz LBCLPLLSXBXLGR-NEWSRXKRSA-N 1 3 361.917 2.857 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172158184 1011671420 /nfs/dbraw/zinc/67/14/20/1011671420.db2.gz KEXURMZHGJDUEX-DLBZAZTESA-N 1 3 361.917 2.829 20 0 FFADHO C[NH+]1CCC(CNC(=O)c2ccc3c(c2)CCCN3)(N2CCCCC2)CC1 ZINC000646094805 1011737834 /nfs/dbraw/zinc/73/78/34/1011737834.db2.gz UGZDKRDPYYPKAN-UHFFFAOYSA-N 1 3 370.541 2.725 20 0 FFADHO C[C@@H]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000646230036 1011808458 /nfs/dbraw/zinc/80/84/58/1011808458.db2.gz KHIUEUONUOPRNJ-GOSISDBHSA-N 1 3 366.509 2.951 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN([C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172630070 1011905044 /nfs/dbraw/zinc/90/50/44/1011905044.db2.gz CERQKNAEBSFGQS-PMACEKPBSA-N 1 3 367.578 2.848 20 0 FFADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275123315 1011964569 /nfs/dbraw/zinc/96/45/69/1011964569.db2.gz DMEQXSDENHMSKQ-CTNGQTDRSA-N 1 3 365.562 2.624 20 0 FFADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275123315 1011964582 /nfs/dbraw/zinc/96/45/82/1011964582.db2.gz DMEQXSDENHMSKQ-CTNGQTDRSA-N 1 3 365.562 2.624 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCN(c3nc(C)cc(OC)n3)CC2)CC1 ZINC001173113261 1012260171 /nfs/dbraw/zinc/26/01/71/1012260171.db2.gz IVRCKBBXODFYQT-UHFFFAOYSA-N 1 3 361.534 2.569 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCc4ncsc4C3)c2)CC1 ZINC001173126383 1012262616 /nfs/dbraw/zinc/26/26/16/1012262616.db2.gz NRBQXWQWBLJJFL-GOSISDBHSA-N 1 3 356.539 2.538 20 0 FFADHO COc1cccc2c1C[C@@H](N1CCC(COCC[NH+]3CCCC3)CC1)CO2 ZINC001173152896 1012297592 /nfs/dbraw/zinc/29/75/92/1012297592.db2.gz SLUVJXABEZBEQT-LJQANCHMSA-N 1 3 374.525 2.823 20 0 FFADHO COc1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc2c1OCO2 ZINC000647248651 1012423419 /nfs/dbraw/zinc/42/34/19/1012423419.db2.gz OYRQJRQHMXQWKE-MSOLQXFVSA-N 1 3 354.450 2.859 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H]3CC=CCC3)C2)C1=O ZINC001276358094 1012510651 /nfs/dbraw/zinc/51/06/51/1012510651.db2.gz AKIILWRJMYAUGW-GCJKJVERSA-N 1 3 353.510 2.895 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](C[C@@H]3CC=CCC3)C2)C1=O ZINC001276358094 1012510659 /nfs/dbraw/zinc/51/06/59/1012510659.db2.gz AKIILWRJMYAUGW-GCJKJVERSA-N 1 3 353.510 2.895 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3cc(F)cc(F)c3)CC2)C1=O ZINC001275670605 1012814847 /nfs/dbraw/zinc/81/48/47/1012814847.db2.gz XTNTYUFVVDLAPC-HXUWFJFHSA-N 1 3 365.468 2.731 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cc(Cl)ccc3Cl)C2)C1=O ZINC001275727306 1012932517 /nfs/dbraw/zinc/93/25/17/1012932517.db2.gz IUONWDBREJRJHG-SFHVURJKSA-N 1 3 370.324 2.979 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000679721178 1017592090 /nfs/dbraw/zinc/59/20/90/1017592090.db2.gz JILSEAVGQZJZRF-KJJMTIBFSA-N 1 3 358.526 2.930 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1n[nH]c2ccccc21 ZINC000679752120 1017612236 /nfs/dbraw/zinc/61/22/36/1017612236.db2.gz ZZQLUHOJFQCFQA-SFHVURJKSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1n[nH]c2ccccc21 ZINC000679752120 1017612247 /nfs/dbraw/zinc/61/22/47/1017612247.db2.gz ZZQLUHOJFQCFQA-SFHVURJKSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000679752120 1017612253 /nfs/dbraw/zinc/61/22/53/1017612253.db2.gz ZZQLUHOJFQCFQA-SFHVURJKSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000679752120 1017612262 /nfs/dbraw/zinc/61/22/62/1017612262.db2.gz ZZQLUHOJFQCFQA-SFHVURJKSA-N 1 3 350.466 2.809 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1)N1CCCC1 ZINC001097639542 1017741043 /nfs/dbraw/zinc/74/10/43/1017741043.db2.gz YLBGLOWZWJSNPD-OAGGEKHMSA-N 1 3 355.473 2.628 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1)N1CCCC1 ZINC001097639542 1017741056 /nfs/dbraw/zinc/74/10/56/1017741056.db2.gz YLBGLOWZWJSNPD-OAGGEKHMSA-N 1 3 355.473 2.628 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)CCC2 ZINC001110959617 1019255158 /nfs/dbraw/zinc/25/51/58/1019255158.db2.gz TXLWONDQQNFIFL-NJYVYQBISA-N 1 3 355.526 2.739 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)c1 ZINC001095963062 1019615337 /nfs/dbraw/zinc/61/53/37/1019615337.db2.gz SHRHLBNMSIQNJJ-HKBOAZHASA-N 1 3 355.526 2.812 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000930194471 1019915312 /nfs/dbraw/zinc/91/53/12/1019915312.db2.gz YXNBVYKXUFQKMW-RBUKOAKNSA-N 1 3 371.525 2.964 20 0 FFADHO COc1ccc(CN2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001045444968 1019972462 /nfs/dbraw/zinc/97/24/62/1019972462.db2.gz MQLHYDWVOGEBOG-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO COc1ccc(CN2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC001045444968 1019972468 /nfs/dbraw/zinc/97/24/68/1019972468.db2.gz MQLHYDWVOGEBOG-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c2ncccc12 ZINC000930602485 1020099129 /nfs/dbraw/zinc/09/91/29/1020099129.db2.gz UNNIVMUWOOFHBM-NRFANRHFSA-N 1 3 353.466 2.939 20 0 FFADHO COC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c2ncccc12 ZINC000930602485 1020099139 /nfs/dbraw/zinc/09/91/39/1020099139.db2.gz UNNIVMUWOOFHBM-NRFANRHFSA-N 1 3 353.466 2.939 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)C1 ZINC001096350843 1020191277 /nfs/dbraw/zinc/19/12/77/1020191277.db2.gz WTIIILFEFHKINS-LMQGHGSNSA-N 1 3 366.509 2.731 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)C1 ZINC001096350843 1020191282 /nfs/dbraw/zinc/19/12/82/1020191282.db2.gz WTIIILFEFHKINS-LMQGHGSNSA-N 1 3 366.509 2.731 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000800347259 1020229215 /nfs/dbraw/zinc/22/92/15/1020229215.db2.gz BYPGPEDJKFKEKS-NRFANRHFSA-N 1 3 363.521 2.740 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000800347259 1020229225 /nfs/dbraw/zinc/22/92/25/1020229225.db2.gz BYPGPEDJKFKEKS-NRFANRHFSA-N 1 3 363.521 2.740 20 0 FFADHO C[C@H](c1ccc(F)cc1)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752230 1020300098 /nfs/dbraw/zinc/30/00/98/1020300098.db2.gz AFSCBXLKWXFWDJ-GPMSIDNRSA-N 1 3 359.489 2.761 20 0 FFADHO C[C@H](c1ccc(F)cc1)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752230 1020300109 /nfs/dbraw/zinc/30/01/09/1020300109.db2.gz AFSCBXLKWXFWDJ-GPMSIDNRSA-N 1 3 359.489 2.761 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000725898851 1020367114 /nfs/dbraw/zinc/36/71/14/1020367114.db2.gz YGLVOEPEESZOLX-PMACEKPBSA-N 1 3 359.514 2.512 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000725898851 1020367129 /nfs/dbraw/zinc/36/71/29/1020367129.db2.gz YGLVOEPEESZOLX-PMACEKPBSA-N 1 3 359.514 2.512 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C)[NH+](CC)CC ZINC001111017909 1020604225 /nfs/dbraw/zinc/60/42/25/1020604225.db2.gz GKULFXBUQPYDOA-MKXGPGLRSA-N 1 3 353.551 2.643 20 0 FFADHO Cc1noc2nc(O[C@@H]3CC[N@H+](Cc4ccccc4)C3)c3c(c12)CCNC3 ZINC001217944554 1032912751 /nfs/dbraw/zinc/91/27/51/1032912751.db2.gz FKAPUFUMJHENLJ-MRXNPFEDSA-N 1 3 364.449 2.830 20 0 FFADHO Cc1noc2nc(O[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c3c(c12)CCNC3 ZINC001217944554 1032912761 /nfs/dbraw/zinc/91/27/61/1032912761.db2.gz FKAPUFUMJHENLJ-MRXNPFEDSA-N 1 3 364.449 2.830 20 0 FFADHO CC[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000903340666 1020795956 /nfs/dbraw/zinc/79/59/56/1020795956.db2.gz XTEFIXNSSXSDIY-CBPXPLCBSA-N 1 3 357.542 2.740 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001099011308 1021590780 /nfs/dbraw/zinc/59/07/80/1021590780.db2.gz ZJPICCQLGXBXIK-UGKGYDQZSA-N 1 3 371.525 2.508 20 0 FFADHO C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2CN(CCC(F)(F)F)C3)CC1 ZINC001099063136 1021695623 /nfs/dbraw/zinc/69/56/23/1021695623.db2.gz QZMWXQZBDYCVQQ-RDJZCZTQSA-N 1 3 361.452 2.641 20 0 FFADHO C[C@H](c1ccccc1F)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099123057 1021865695 /nfs/dbraw/zinc/86/56/95/1021865695.db2.gz PTVMYXCAQHYKGX-JLHGSKIFSA-N 1 3 371.500 2.953 20 0 FFADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001111467268 1021949193 /nfs/dbraw/zinc/94/91/93/1021949193.db2.gz CWBIHYMFJRYBBS-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001111467268 1021949208 /nfs/dbraw/zinc/94/92/08/1021949208.db2.gz CWBIHYMFJRYBBS-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467268 1021949219 /nfs/dbraw/zinc/94/92/19/1021949219.db2.gz CWBIHYMFJRYBBS-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000145669762 1022020054 /nfs/dbraw/zinc/02/00/54/1022020054.db2.gz DUBDGFBMIWGYMP-GOSISDBHSA-N 1 3 374.598 2.990 20 0 FFADHO C(=C\C[NH+]1CCC(c2cn[nH]c2)CC1)\CN1CCC(c2cn[nH]c2)CC1 ZINC000750484666 1022053800 /nfs/dbraw/zinc/05/38/00/1022053800.db2.gz LTFKHKBPLKCEHM-UPHRSURJSA-N 1 3 354.502 2.748 20 0 FFADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520068 1033027015 /nfs/dbraw/zinc/02/70/15/1033027015.db2.gz AMPQUNOSAYTZKZ-GAJHUEQPSA-N 1 3 369.553 2.574 20 0 FFADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520068 1033027024 /nfs/dbraw/zinc/02/70/24/1033027024.db2.gz AMPQUNOSAYTZKZ-GAJHUEQPSA-N 1 3 369.553 2.574 20 0 FFADHO Cc1c(C[N@@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)cccc1-c1ccccc1 ZINC001222526437 1033030753 /nfs/dbraw/zinc/03/07/53/1033030753.db2.gz AGPDJVWOENUOJF-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1c(C[N@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)cccc1-c1ccccc1 ZINC001222526437 1033030765 /nfs/dbraw/zinc/03/07/65/1033030765.db2.gz AGPDJVWOENUOJF-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1c(CN2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)cccc1-c1ccccc1 ZINC001222526437 1033030775 /nfs/dbraw/zinc/03/07/75/1033030775.db2.gz AGPDJVWOENUOJF-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1cccc(-c2ccc(C[N@@H+]3CC4(CNC4)[C@]4(CCNC4=O)C3)cc2)c1 ZINC001222528023 1033031036 /nfs/dbraw/zinc/03/10/36/1033031036.db2.gz SXISQMVTBPMAAD-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1cccc(-c2ccc(C[N@H+]3CC4(CNC4)[C@]4(CCNC4=O)C3)cc2)c1 ZINC001222528023 1033031047 /nfs/dbraw/zinc/03/10/47/1033031047.db2.gz SXISQMVTBPMAAD-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1C ZINC001111233704 1022522205 /nfs/dbraw/zinc/52/22/05/1022522205.db2.gz UQXAHCOVRCCYSG-QRVBRYPASA-N 1 3 359.514 2.567 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1C ZINC001111233704 1022522213 /nfs/dbraw/zinc/52/22/13/1022522213.db2.gz UQXAHCOVRCCYSG-QRVBRYPASA-N 1 3 359.514 2.567 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000948380971 1023243730 /nfs/dbraw/zinc/24/37/30/1023243730.db2.gz ANWNSRVKYZKXSN-HSALFYBXSA-N 1 3 358.530 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3cccnc3)CC2)CC[N@H+]1C ZINC000948380971 1023243737 /nfs/dbraw/zinc/24/37/37/1023243737.db2.gz ANWNSRVKYZKXSN-HSALFYBXSA-N 1 3 358.530 2.625 20 0 FFADHO O[C@H](CCc1ccccc1)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001120488054 1023337995 /nfs/dbraw/zinc/33/79/95/1023337995.db2.gz PSHOMYWNUJBKCL-JOCHJYFZSA-N 1 3 353.510 2.877 20 0 FFADHO O[C@@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)COCc1ccccc1Cl ZINC001120591430 1023374950 /nfs/dbraw/zinc/37/49/50/1023374950.db2.gz WTMDWPPHXWVUEF-HKUYNNGSSA-N 1 3 366.933 2.929 20 0 FFADHO O[C@@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)COCc1ccccc1Cl ZINC001120591430 1023374960 /nfs/dbraw/zinc/37/49/60/1023374960.db2.gz WTMDWPPHXWVUEF-HKUYNNGSSA-N 1 3 366.933 2.929 20 0 FFADHO CCN(C(=O)NC1CC2(CC([NH3+])C2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001120677517 1023417435 /nfs/dbraw/zinc/41/74/35/1023417435.db2.gz RJYMUDKNBOKCDK-MBEFBZSESA-N 1 3 356.514 2.562 20 0 FFADHO COc1ccc(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)cc1 ZINC001111297566 1023651101 /nfs/dbraw/zinc/65/11/01/1023651101.db2.gz KMHFWCFTTLGJHN-NRSPTQNISA-N 1 3 373.541 2.691 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000191606199 1023876679 /nfs/dbraw/zinc/87/66/79/1023876679.db2.gz MSWAPJXSLQDWOG-IBGZPJMESA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c2OCCNC3)c1 ZINC001121988542 1024240440 /nfs/dbraw/zinc/24/04/40/1024240440.db2.gz MQWVZVKDKLIJAG-UHFFFAOYSA-N 1 3 367.493 2.939 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c2OCCNC3)c1 ZINC001121988542 1024240456 /nfs/dbraw/zinc/24/04/56/1024240456.db2.gz MQWVZVKDKLIJAG-UHFFFAOYSA-N 1 3 367.493 2.939 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@]2(C)C1 ZINC001101344959 1024507550 /nfs/dbraw/zinc/50/75/50/1024507550.db2.gz MPKIRBKZNGUYAX-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1F ZINC001101478471 1024843095 /nfs/dbraw/zinc/84/30/95/1024843095.db2.gz PLSUIHVTDHRUAX-NQIIRXRSSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1F ZINC001101478471 1024843117 /nfs/dbraw/zinc/84/31/17/1024843117.db2.gz PLSUIHVTDHRUAX-NQIIRXRSSA-N 1 3 361.505 2.755 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCOCCC(C)C)[C@H]2C1 ZINC001223023236 1033246590 /nfs/dbraw/zinc/24/65/90/1033246590.db2.gz GHDRBBXEYUWGBB-MOPGFXCFSA-N 1 3 367.578 2.702 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCC(C)C)[C@H]2C1 ZINC001223023236 1033246602 /nfs/dbraw/zinc/24/66/02/1033246602.db2.gz GHDRBBXEYUWGBB-MOPGFXCFSA-N 1 3 367.578 2.702 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101973646 1025229946 /nfs/dbraw/zinc/22/99/46/1025229946.db2.gz MMSZMACOIFJBSX-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101973646 1025229955 /nfs/dbraw/zinc/22/99/55/1025229955.db2.gz MMSZMACOIFJBSX-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974555 1025232229 /nfs/dbraw/zinc/23/22/29/1025232229.db2.gz FHJUEJRDNCTMLA-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974555 1025232239 /nfs/dbraw/zinc/23/22/39/1025232239.db2.gz FHJUEJRDNCTMLA-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047429 1025354144 /nfs/dbraw/zinc/35/41/44/1025354144.db2.gz GUIYRTWYRDSDND-QFUCXCTJSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047429 1025354156 /nfs/dbraw/zinc/35/41/56/1025354156.db2.gz GUIYRTWYRDSDND-QFUCXCTJSA-N 1 3 357.542 2.828 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102052029 1025364910 /nfs/dbraw/zinc/36/49/10/1025364910.db2.gz ZWNMZHHLFOUHSI-VQIMIIECSA-N 1 3 368.525 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102052029 1025364923 /nfs/dbraw/zinc/36/49/23/1025364923.db2.gz ZWNMZHHLFOUHSI-VQIMIIECSA-N 1 3 368.525 2.836 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001102330112 1025759609 /nfs/dbraw/zinc/75/96/09/1025759609.db2.gz CAHRHAWTDBNSRS-BHIYHBOVSA-N 1 3 365.587 2.951 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001102330112 1025759622 /nfs/dbraw/zinc/75/96/22/1025759622.db2.gz CAHRHAWTDBNSRS-BHIYHBOVSA-N 1 3 365.587 2.951 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1C)N(C)C ZINC001102337531 1025766115 /nfs/dbraw/zinc/76/61/15/1025766115.db2.gz GELSZYYQDQGUQI-MYSXKENWSA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1C)N(C)C ZINC001102337531 1025766129 /nfs/dbraw/zinc/76/61/29/1025766129.db2.gz GELSZYYQDQGUQI-MYSXKENWSA-N 1 3 357.542 2.970 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(CO)cc3)cc2)CC1 ZINC000638375272 1025810684 /nfs/dbraw/zinc/81/06/84/1025810684.db2.gz WCFIDERGPFDHOM-UHFFFAOYSA-N 1 3 353.510 2.606 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369617 1025828466 /nfs/dbraw/zinc/82/84/66/1025828466.db2.gz AEJQFZOVWXJLBO-NNMXDRDESA-N 1 3 371.569 2.817 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369617 1025828485 /nfs/dbraw/zinc/82/84/85/1025828485.db2.gz AEJQFZOVWXJLBO-NNMXDRDESA-N 1 3 371.569 2.817 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375390 1025842648 /nfs/dbraw/zinc/84/26/48/1025842648.db2.gz GNRATYDFGCWHAY-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375390 1025842666 /nfs/dbraw/zinc/84/26/66/1025842666.db2.gz GNRATYDFGCWHAY-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375535 1025844267 /nfs/dbraw/zinc/84/42/67/1025844267.db2.gz OQEKMBJKJJEOJB-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375535 1025844292 /nfs/dbraw/zinc/84/42/92/1025844292.db2.gz OQEKMBJKJJEOJB-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001102377662 1025850096 /nfs/dbraw/zinc/85/00/96/1025850096.db2.gz AXSRLPPSBJNMEZ-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001102377662 1025850112 /nfs/dbraw/zinc/85/01/12/1025850112.db2.gz AXSRLPPSBJNMEZ-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO c1ccc2oc(CNCCCN3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000638461927 1025851360 /nfs/dbraw/zinc/85/13/60/1025851360.db2.gz HSXYAGRUGFTGBH-UHFFFAOYSA-N 1 3 351.454 2.525 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001102378485 1025851483 /nfs/dbraw/zinc/85/14/83/1025851483.db2.gz YSMVJYWZYIOLRI-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001102378485 1025851498 /nfs/dbraw/zinc/85/14/98/1025851498.db2.gz YSMVJYWZYIOLRI-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N(C)[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)CC2 ZINC000639173459 1026205713 /nfs/dbraw/zinc/20/57/13/1026205713.db2.gz YYORJWZWNYXMQP-AZUAARDMSA-N 1 3 373.541 2.791 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N(C)[C@H]1CC[N@H+](C3CCN(C)CC3)C1)CC2 ZINC000639173459 1026205727 /nfs/dbraw/zinc/20/57/27/1026205727.db2.gz YYORJWZWNYXMQP-AZUAARDMSA-N 1 3 373.541 2.791 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102525354 1026218638 /nfs/dbraw/zinc/21/86/38/1026218638.db2.gz XXOGRRSSPSTFRV-DYESRHJHSA-N 1 3 357.542 2.701 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102525354 1026218645 /nfs/dbraw/zinc/21/86/45/1026218645.db2.gz XXOGRRSSPSTFRV-DYESRHJHSA-N 1 3 357.542 2.701 20 0 FFADHO CO[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)[C@@H]1CCOC1 ZINC000639329891 1026280648 /nfs/dbraw/zinc/28/06/48/1026280648.db2.gz QEJOGAONSSLGER-NJDAHSKKSA-N 1 3 358.526 2.930 20 0 FFADHO c1ccc([C@H](CN2CC[C@@H]3COC[C@H]3C2)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000639862416 1026497360 /nfs/dbraw/zinc/49/73/60/1026497360.db2.gz KOPNNEOLRCHALF-JLMDMGSGSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@H](CN2CC[C@@H]3COC[C@H]3C2)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000639862416 1026497366 /nfs/dbraw/zinc/49/73/66/1026497366.db2.gz KOPNNEOLRCHALF-JLMDMGSGSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@@H](CN2CC[C@@H]3COC[C@@H]3C2)C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000639862416 1026497371 /nfs/dbraw/zinc/49/73/71/1026497371.db2.gz KOPNNEOLRCHALF-JLMDMGSGSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@@H](CN2CC[C@@H]3COC[C@@H]3C2)C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000639862416 1026497378 /nfs/dbraw/zinc/49/73/78/1026497378.db2.gz KOPNNEOLRCHALF-JLMDMGSGSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@H]1CN(CCF)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001102987656 1026858673 /nfs/dbraw/zinc/85/86/73/1026858673.db2.gz MJSCDQMZLHPLRN-KURKYZTESA-N 1 3 353.526 2.685 20 0 FFADHO C[C@@H]1CN(CCF)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001102987656 1026858684 /nfs/dbraw/zinc/85/86/84/1026858684.db2.gz MJSCDQMZLHPLRN-KURKYZTESA-N 1 3 353.526 2.685 20 0 FFADHO CCOCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987723 1026861604 /nfs/dbraw/zinc/86/16/04/1026861604.db2.gz OISZUYUMAVRVSO-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCOCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987723 1026861608 /nfs/dbraw/zinc/86/16/08/1026861608.db2.gz OISZUYUMAVRVSO-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO C[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001103088134 1026949571 /nfs/dbraw/zinc/94/95/71/1026949571.db2.gz WVNFBJMJUNNUTO-XNRPHZJLSA-N 1 3 362.345 2.720 20 0 FFADHO C[C@@H]1CN(Cc2ccns2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103745 1026963797 /nfs/dbraw/zinc/96/37/97/1026963797.db2.gz XKMHRAUZAFYXBF-ZACQAIPSSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1CN(Cc2ccns2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103745 1026963807 /nfs/dbraw/zinc/96/38/07/1026963807.db2.gz XKMHRAUZAFYXBF-ZACQAIPSSA-N 1 3 364.559 2.592 20 0 FFADHO O=C(c1cc2c(s1)CNCC2)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158565356 1027061128 /nfs/dbraw/zinc/06/11/28/1027061128.db2.gz VNIGABOSXNLLHR-UTKZUKDTSA-N 1 3 367.518 2.613 20 0 FFADHO CSc1ncc(Cl)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158574624 1027063589 /nfs/dbraw/zinc/06/35/89/1027063589.db2.gz BDYCEBIYZWKXCE-UHFFFAOYSA-N 1 3 355.939 2.505 20 0 FFADHO Cc1cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc(-c2ccco2)n1 ZINC001158588870 1027070264 /nfs/dbraw/zinc/07/02/64/1027070264.db2.gz HXERLRNANCRGIL-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO CCn1cc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)c(-c2ccccc2)n1 ZINC000641707624 1027273381 /nfs/dbraw/zinc/27/33/81/1027273381.db2.gz NGUAYIJPPKSVFH-SFHVURJKSA-N 1 3 355.530 2.686 20 0 FFADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(N3CCCC3)cc3ccccc32)O1 ZINC001159243459 1027324729 /nfs/dbraw/zinc/32/47/29/1027324729.db2.gz OBVCORARKIDABG-DBXWQHBBSA-N 1 3 370.497 2.972 20 0 FFADHO COc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159460325 1027397370 /nfs/dbraw/zinc/39/73/70/1027397370.db2.gz SKTXIVFOBFGFHG-UHFFFAOYSA-N 1 3 350.466 3.000 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001159784413 1027498950 /nfs/dbraw/zinc/49/89/50/1027498950.db2.gz INFYLIGNNRJNQQ-SNVBAGLBSA-N 1 3 350.200 2.599 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001159843595 1027515567 /nfs/dbraw/zinc/51/55/67/1027515567.db2.gz XVHLBEOMEKXBEK-FUMNGEBKSA-N 1 3 365.562 2.536 20 0 FFADHO O=C(N1CCC2(CCC2)C1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160658308 1027791843 /nfs/dbraw/zinc/79/18/43/1027791843.db2.gz UJNCUUWWQHKUJT-NFBKMPQASA-N 1 3 367.537 2.891 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC2(CC1)OCCc1ccccc12 ZINC001160674724 1027797298 /nfs/dbraw/zinc/79/72/98/1027797298.db2.gz TYVAJNWSEANWMK-FQEVSTJZSA-N 1 3 373.541 2.573 20 0 FFADHO CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160676171 1027798965 /nfs/dbraw/zinc/79/89/65/1027798965.db2.gz PNKQTPBDBCIXOY-MRXNPFEDSA-N 1 3 351.903 2.840 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001103663665 1027922619 /nfs/dbraw/zinc/92/26/19/1027922619.db2.gz MVDGYEPZCAWJPX-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001103663665 1027922626 /nfs/dbraw/zinc/92/26/26/1027922626.db2.gz MVDGYEPZCAWJPX-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC001160958369 1027946690 /nfs/dbraw/zinc/94/66/90/1027946690.db2.gz VMKKFSXDBYAEPR-UYAOXDASSA-N 1 3 359.514 2.636 20 0 FFADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001161050081 1027987309 /nfs/dbraw/zinc/98/73/09/1027987309.db2.gz KRHJMXIIVPEFDH-HKUYNNGSSA-N 1 3 361.530 2.675 20 0 FFADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001161050081 1027987322 /nfs/dbraw/zinc/98/73/22/1027987322.db2.gz KRHJMXIIVPEFDH-HKUYNNGSSA-N 1 3 361.530 2.675 20 0 FFADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001161049530 1027987542 /nfs/dbraw/zinc/98/75/42/1027987542.db2.gz GCQVGZXSDHYUTE-HZPDHXFCSA-N 1 3 357.420 2.516 20 0 FFADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001161049530 1027987563 /nfs/dbraw/zinc/98/75/63/1027987563.db2.gz GCQVGZXSDHYUTE-HZPDHXFCSA-N 1 3 357.420 2.516 20 0 FFADHO NC(C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1)C(F)(F)F ZINC001161057116 1027990374 /nfs/dbraw/zinc/99/03/74/1027990374.db2.gz QZXAIKRSYVAIDP-HOTGVXAUSA-N 1 3 355.404 2.532 20 0 FFADHO NC(C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)C(F)(F)F ZINC001161057116 1027990393 /nfs/dbraw/zinc/99/03/93/1027990393.db2.gz QZXAIKRSYVAIDP-HOTGVXAUSA-N 1 3 355.404 2.532 20 0 FFADHO Oc1ccc(CN2CCC(Nc3nccc(C4CC[NH2+]CC4)n3)CC2)cc1 ZINC001161136089 1028031194 /nfs/dbraw/zinc/03/11/94/1028031194.db2.gz CGALVSYOVYYYMD-UHFFFAOYSA-N 1 3 367.497 2.726 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718720 1028061512 /nfs/dbraw/zinc/06/15/12/1028061512.db2.gz CHKKZWXCGXAGKS-KFWWJZLASA-N 1 3 369.962 2.927 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718720 1028061529 /nfs/dbraw/zinc/06/15/29/1028061529.db2.gz CHKKZWXCGXAGKS-KFWWJZLASA-N 1 3 369.962 2.927 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1C ZINC001103755622 1028144804 /nfs/dbraw/zinc/14/48/04/1028144804.db2.gz MUYCOMLETICGIP-RLLQIKCJSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C ZINC001103755622 1028144815 /nfs/dbraw/zinc/14/48/15/1028144815.db2.gz MUYCOMLETICGIP-RLLQIKCJSA-N 1 3 358.530 2.530 20 0 FFADHO O=C(c1csc([C@@H]2CCCN2)n1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161431082 1028168345 /nfs/dbraw/zinc/16/83/45/1028168345.db2.gz WUYNUBVBUPFISA-KRWDZBQOSA-N 1 3 370.522 2.962 20 0 FFADHO COc1c(Cl)cc(Cl)cc1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161449819 1028179501 /nfs/dbraw/zinc/17/95/01/1028179501.db2.gz SVMHBGCEMNWIEY-ZDUSSCGKSA-N 1 3 374.312 2.758 20 0 FFADHO Cc1ccc(-c2cc(C(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)c[nH]2)cc1 ZINC001161449378 1028179584 /nfs/dbraw/zinc/17/95/84/1028179584.db2.gz MNADNOCNZOULTF-IBGZPJMESA-N 1 3 354.498 2.746 20 0 FFADHO N[C@H](C(=O)N1CCC(c2csc3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001161450624 1028182029 /nfs/dbraw/zinc/18/20/29/1028182029.db2.gz GZJOUGLLRZNTJI-IBGZPJMESA-N 1 3 357.523 2.934 20 0 FFADHO C[NH+]1CCC(N(C(=O)[C@H]2CC[C@H](C(F)(F)F)CN2)C2CCCC2)CC1 ZINC001161454096 1028183854 /nfs/dbraw/zinc/18/38/54/1028183854.db2.gz QYUKCILBGMXKNS-XJKSGUPXSA-N 1 3 361.452 2.782 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001161469637 1028189754 /nfs/dbraw/zinc/18/97/54/1028189754.db2.gz UBIPSXJGCQLSDQ-SJORKVTESA-N 1 3 363.452 2.512 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001161469637 1028189765 /nfs/dbraw/zinc/18/97/65/1028189765.db2.gz UBIPSXJGCQLSDQ-SJORKVTESA-N 1 3 363.452 2.512 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001161526160 1028215679 /nfs/dbraw/zinc/21/56/79/1028215679.db2.gz JTAAXTYKISOUSQ-FPOVZHCZSA-N 1 3 371.500 2.506 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001161526160 1028215694 /nfs/dbraw/zinc/21/56/94/1028215694.db2.gz JTAAXTYKISOUSQ-FPOVZHCZSA-N 1 3 371.500 2.506 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCc1cccc(C(F)(F)F)n1 ZINC000644653767 1028612112 /nfs/dbraw/zinc/61/21/12/1028612112.db2.gz SPZAACFVVLXUJD-QGZVFWFLSA-N 1 3 367.415 2.725 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCc1cccc(C(F)(F)F)n1 ZINC000644653767 1028612123 /nfs/dbraw/zinc/61/21/23/1028612123.db2.gz SPZAACFVVLXUJD-QGZVFWFLSA-N 1 3 367.415 2.725 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC000644698952 1028643428 /nfs/dbraw/zinc/64/34/28/1028643428.db2.gz TYWHWPNWBYQEMZ-HXUWFJFHSA-N 1 3 353.466 2.567 20 0 FFADHO CC(C)[NH+]1CCN(c2ccc(N[C@H]3CNCc4ccsc43)cn2)CC1 ZINC001163227840 1028846254 /nfs/dbraw/zinc/84/62/54/1028846254.db2.gz ZCQQJWCKKWSNJO-KRWDZBQOSA-N 1 3 357.527 2.930 20 0 FFADHO [NH3+]C1CCN(C(=O)c2ccc(N[C@@H]3CNCc4ccsc43)cc2)CC1 ZINC001163230677 1028848663 /nfs/dbraw/zinc/84/86/63/1028848663.db2.gz QEBOPVJRIKOSON-QGZVFWFLSA-N 1 3 356.495 2.568 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)cc2)CC1 ZINC000781396762 1029190080 /nfs/dbraw/zinc/19/00/80/1029190080.db2.gz SOYCNPBJWFNOIU-QGZVFWFLSA-N 1 3 371.529 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000781396762 1029190085 /nfs/dbraw/zinc/19/00/85/1029190085.db2.gz SOYCNPBJWFNOIU-QGZVFWFLSA-N 1 3 371.529 2.600 20 0 FFADHO Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)cnc1OCC(F)(F)F ZINC001164217306 1029207624 /nfs/dbraw/zinc/20/76/24/1029207624.db2.gz USCXTULSMYMBLC-UHFFFAOYSA-N 1 3 360.424 2.769 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821436 1029551314 /nfs/dbraw/zinc/55/13/14/1029551314.db2.gz UYRIGWYPVKOEFB-QKLQHJQFSA-N 1 3 353.526 2.970 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3nccc4c(Cl)ccnc43)CC2)CC1 ZINC001157836825 1029672225 /nfs/dbraw/zinc/67/22/25/1029672225.db2.gz NXCMVOJSQIHXHI-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO N[C@]1(C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)CCc2cc(F)ccc2C1 ZINC001158031346 1029712599 /nfs/dbraw/zinc/71/25/99/1029712599.db2.gz LUYFRMYPNXYWPF-FCHUYYIVSA-N 1 3 373.516 2.784 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(F)cc1C)C2 ZINC001111926660 1029754960 /nfs/dbraw/zinc/75/49/60/1029754960.db2.gz BODMMBQDJHQCPP-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(F)cc1C)C2 ZINC001111926660 1029754970 /nfs/dbraw/zinc/75/49/70/1029754970.db2.gz BODMMBQDJHQCPP-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cccc(F)c2Cl)CC[N@@H+]1C ZINC001158404831 1029820808 /nfs/dbraw/zinc/82/08/08/1029820808.db2.gz ZOEBJARMRGGWTL-GOEBONIOSA-N 1 3 355.885 2.805 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cccc(F)c2Cl)CC[N@H+]1C ZINC001158404831 1029820816 /nfs/dbraw/zinc/82/08/16/1029820816.db2.gz ZOEBJARMRGGWTL-GOEBONIOSA-N 1 3 355.885 2.805 20 0 FFADHO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)n1ncc2c1CCNC2 ZINC001165222525 1029903102 /nfs/dbraw/zinc/90/31/02/1029903102.db2.gz DHBRBKVSNMXOCR-UHFFFAOYSA-N 1 3 365.815 2.552 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C3CCC([NH3+])CC3)cc2)CC1 ZINC000841018521 1029980860 /nfs/dbraw/zinc/98/08/60/1029980860.db2.gz VSJAHDWOZNFHGY-UHFFFAOYSA-N 1 3 359.518 2.562 20 0 FFADHO Cc1cccc(N(c2ncc(C)cc2CN)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165779438 1030122387 /nfs/dbraw/zinc/12/23/87/1030122387.db2.gz VOOXSWAYJFWWME-PZJWPPBQSA-N 1 3 352.482 2.816 20 0 FFADHO C[C@H](CNC(=O)Nc1cccc(OCC[NH3+])c1)N(C)Cc1ccccc1 ZINC000841287004 1030159063 /nfs/dbraw/zinc/15/90/63/1030159063.db2.gz ITUQWPOKIMJMNE-MRXNPFEDSA-N 1 3 356.470 2.666 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C(F)(F)F ZINC001112198193 1030215449 /nfs/dbraw/zinc/21/54/49/1030215449.db2.gz GXRKBRNHSIPZTN-HUUCEWRRSA-N 1 3 351.457 2.887 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001112211880 1030252746 /nfs/dbraw/zinc/25/27/46/1030252746.db2.gz AZALPWNUYPOWIT-ZIAGYGMSSA-N 1 3 351.457 2.742 20 0 FFADHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1-n1cccc1 ZINC001166247837 1030317539 /nfs/dbraw/zinc/31/75/39/1030317539.db2.gz LFFXGNJUMUKUGL-SFHVURJKSA-N 1 3 356.514 2.788 20 0 FFADHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1-n1cccc1 ZINC001166247837 1030317550 /nfs/dbraw/zinc/31/75/50/1030317550.db2.gz LFFXGNJUMUKUGL-SFHVURJKSA-N 1 3 356.514 2.788 20 0 FFADHO O=C(NCCC[NH2+]C1CCCCC1)C1CCN(Cc2ccncc2)CC1 ZINC001142348187 1030334892 /nfs/dbraw/zinc/33/48/92/1030334892.db2.gz PYPFWCYNXFYFOI-UHFFFAOYSA-N 1 3 358.530 2.722 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841730860 1030433147 /nfs/dbraw/zinc/43/31/47/1030433147.db2.gz QIQOEVYPSJKXEC-DYESRHJHSA-N 1 3 366.509 2.823 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841925002 1030545685 /nfs/dbraw/zinc/54/56/85/1030545685.db2.gz LUUYKMXHUWVXLU-UHFFFAOYSA-N 1 3 370.497 2.587 20 0 FFADHO CO[C@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354434 1030635821 /nfs/dbraw/zinc/63/58/21/1030635821.db2.gz IUHAHWXHOKUCCK-LQWHRVPQSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000796702988 1030888227 /nfs/dbraw/zinc/88/82/27/1030888227.db2.gz OMGHCLRPNPQISR-BSDSXHPESA-N 1 3 369.550 2.626 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001204269157 1031196249 /nfs/dbraw/zinc/19/62/49/1031196249.db2.gz WDOZZPIZWYHYCX-NRFANRHFSA-N 1 3 359.514 2.652 20 0 FFADHO CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)cc1 ZINC001204307544 1031221584 /nfs/dbraw/zinc/22/15/84/1031221584.db2.gz XSBGHAJBIGBOGY-DYXWJJEUSA-N 1 3 369.513 2.662 20 0 FFADHO CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)cc1 ZINC001204307544 1031221588 /nfs/dbraw/zinc/22/15/88/1031221588.db2.gz XSBGHAJBIGBOGY-DYXWJJEUSA-N 1 3 369.513 2.662 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843353533 1031347886 /nfs/dbraw/zinc/34/78/86/1031347886.db2.gz BGFHUFBOCNQIJB-UHFFFAOYSA-N 1 3 355.486 2.629 20 0 FFADHO CN(C)Cc1ccsc1C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001149533779 1031531496 /nfs/dbraw/zinc/53/14/96/1031531496.db2.gz HTSVVIWNFJJXCQ-QGZVFWFLSA-N 1 3 361.486 2.606 20 0 FFADHO [NH3+]C[C@]1(O)CCCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC001205240371 1031620245 /nfs/dbraw/zinc/62/02/45/1031620245.db2.gz JKVBWHXHAOBGCT-KRWDZBQOSA-N 1 3 364.287 2.673 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001205445635 1031750713 /nfs/dbraw/zinc/75/07/13/1031750713.db2.gz JEHJDEOIELPGOZ-ZYSHUDEJSA-N 1 3 367.484 2.800 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1F ZINC001205619946 1031877793 /nfs/dbraw/zinc/87/77/93/1031877793.db2.gz MLHVYRKRTZYFQP-PKOBYXMFSA-N 1 3 361.505 2.994 20 0 FFADHO NC[C@@]1(O)CCCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205681109 1031930690 /nfs/dbraw/zinc/93/06/90/1031930690.db2.gz FJRCDJPXFILJGQ-INIZCTEOSA-N 1 3 352.276 2.606 20 0 FFADHO NC[C@@]1(O)CCCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205681109 1031930695 /nfs/dbraw/zinc/93/06/95/1031930695.db2.gz FJRCDJPXFILJGQ-INIZCTEOSA-N 1 3 352.276 2.606 20 0 FFADHO [NH3+]C[C@@]1(O)CCCCN(Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205681109 1031930702 /nfs/dbraw/zinc/93/07/02/1031930702.db2.gz FJRCDJPXFILJGQ-INIZCTEOSA-N 1 3 352.276 2.606 20 0 FFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387531 1033420934 /nfs/dbraw/zinc/42/09/34/1033420934.db2.gz GBKNCJNRRXNGEP-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218957039 1033427517 /nfs/dbraw/zinc/42/75/17/1033427517.db2.gz FGOFUKQIOUQHRI-OAHLLOKOSA-N 1 3 357.841 2.880 20 0 FFADHO CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1O ZINC001219074220 1033507807 /nfs/dbraw/zinc/50/78/07/1033507807.db2.gz AYEGKLRYLNKUES-HNNXBMFYSA-N 1 3 359.514 2.735 20 0 FFADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)c3csc([C@@H]4CCCN4)n3)cc2)C1 ZINC001219235890 1033566873 /nfs/dbraw/zinc/56/68/73/1033566873.db2.gz HXMKNBSFQOKMDZ-BBRMVZONSA-N 1 3 371.510 2.747 20 0 FFADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)c3cc4c(s3)CNCC4)cc2)C1 ZINC001219238595 1033567235 /nfs/dbraw/zinc/56/72/35/1033567235.db2.gz LGMMZZHTTQIIEE-CQSZACIVSA-N 1 3 356.495 2.574 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cncc(C)c3)[C@H]2C1 ZINC001223962882 1033662103 /nfs/dbraw/zinc/66/21/03/1033662103.db2.gz YGHSSTLPJDEWFW-UXHICEINSA-N 1 3 358.530 2.545 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cncc(C)c3)[C@H]2C1 ZINC001223962882 1033662109 /nfs/dbraw/zinc/66/21/09/1033662109.db2.gz YGHSSTLPJDEWFW-UXHICEINSA-N 1 3 358.530 2.545 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224222628 1033780974 /nfs/dbraw/zinc/78/09/74/1033780974.db2.gz RCENMHCFCXVESG-CTNGQTDRSA-N 1 3 370.541 2.689 20 0 FFADHO O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001219769417 1033804356 /nfs/dbraw/zinc/80/43/56/1033804356.db2.gz WJFOYNOPKPDVGO-QFBILLFUSA-N 1 3 367.896 2.760 20 0 FFADHO N[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC001219818980 1033833110 /nfs/dbraw/zinc/83/31/10/1033833110.db2.gz WKUOQXMZYOLRNI-IFMIXOOKSA-N 1 3 353.510 2.750 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(N4CCCCC4)o3)CC2)CC1 ZINC001138179912 1033918781 /nfs/dbraw/zinc/91/87/81/1033918781.db2.gz JQLSXDRCMBLFAB-UHFFFAOYSA-N 1 3 360.546 2.729 20 0 FFADHO CCCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC001224846407 1034030089 /nfs/dbraw/zinc/03/00/89/1034030089.db2.gz UNLITQRNJDRMEL-KZNAEPCWSA-N 1 3 352.567 2.869 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCCCC1 ZINC001220475863 1034205221 /nfs/dbraw/zinc/20/52/21/1034205221.db2.gz YNFDEHAMHCJLBS-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001220484600 1034211735 /nfs/dbraw/zinc/21/17/35/1034211735.db2.gz LIIWRDDVJIMIRG-AWEZNQCLSA-N 1 3 371.407 2.543 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC001220538096 1034243516 /nfs/dbraw/zinc/24/35/16/1034243516.db2.gz BOBGXBOIRJZYQG-FCSDKFEESA-N 1 3 369.553 2.929 20 0 FFADHO O=C(NCc1ccccc1Oc1ccc(Cl)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220734221 1034362281 /nfs/dbraw/zinc/36/22/81/1034362281.db2.gz IKGPOQDDPWRGHH-KRWDZBQOSA-N 1 3 371.868 2.558 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)NC1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001220942690 1034469291 /nfs/dbraw/zinc/46/92/91/1034469291.db2.gz CICJWGDZZXBUQZ-INIZCTEOSA-N 1 3 353.457 2.750 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N(CC[NH3+])c2ccc(F)cc2)cc1 ZINC001221060859 1034533025 /nfs/dbraw/zinc/53/30/25/1034533025.db2.gz RINZGGLDHPFQJY-LJQANCHMSA-N 1 3 357.473 2.985 20 0 FFADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221124006 1034562846 /nfs/dbraw/zinc/56/28/46/1034562846.db2.gz SEVHOSSSABPBGT-PMACEKPBSA-N 1 3 364.493 2.660 20 0 FFADHO N[C@H](C(=O)NC1(c2ccc(F)cc2)CCC(F)(F)CC1)C1CC[NH2+]CC1 ZINC001221216636 1034605743 /nfs/dbraw/zinc/60/57/43/1034605743.db2.gz FTNRMDFVZPOWDD-INIZCTEOSA-N 1 3 369.431 2.673 20 0 FFADHO OCCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138798442 1034678174 /nfs/dbraw/zinc/67/81/74/1034678174.db2.gz WRELLGMWLZWWDI-OYRHEFFESA-N 1 3 352.478 2.622 20 0 FFADHO OCCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138798442 1034678182 /nfs/dbraw/zinc/67/81/82/1034678182.db2.gz WRELLGMWLZWWDI-OYRHEFFESA-N 1 3 352.478 2.622 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCOC ZINC001226615479 1034758042 /nfs/dbraw/zinc/75/80/42/1034758042.db2.gz WFEOSFRZWDPUIA-GUDVDZBRSA-N 1 3 353.551 2.695 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)cc(F)c2)CCC1 ZINC001226782703 1034837037 /nfs/dbraw/zinc/83/70/37/1034837037.db2.gz QLMRQEXGDDBRRD-QZTJIDSGSA-N 1 3 365.468 2.966 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1)C1CCC1 ZINC001226825280 1034855646 /nfs/dbraw/zinc/85/56/46/1034855646.db2.gz ZJEDXOCAASPQKX-IAGOWNOFSA-N 1 3 364.921 2.736 20 0 FFADHO CC(C)OCCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221615976 1034921336 /nfs/dbraw/zinc/92/13/36/1034921336.db2.gz CRPZGHHJEMNWJY-HSALFYBXSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)OCCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221615976 1034921339 /nfs/dbraw/zinc/92/13/39/1034921339.db2.gz CRPZGHHJEMNWJY-HSALFYBXSA-N 1 3 365.562 2.597 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)C(C)C ZINC001221878066 1035129947 /nfs/dbraw/zinc/12/99/47/1035129947.db2.gz ZPAQKFZEKRAVJD-KURKYZTESA-N 1 3 371.516 2.931 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000834792994 1035451109 /nfs/dbraw/zinc/45/11/09/1035451109.db2.gz WGVQORDVLUHEQR-UHFFFAOYSA-N 1 3 363.546 2.545 20 0 FFADHO CCOc1cc(C)ccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001277198122 1035501069 /nfs/dbraw/zinc/50/10/69/1035501069.db2.gz IZKZDVFKRKGSCM-RTBURBONSA-N 1 3 359.514 2.521 20 0 FFADHO CCO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001227900827 1035794375 /nfs/dbraw/zinc/79/43/75/1035794375.db2.gz PNWDBABNPIDIEF-GUDVDZBRSA-N 1 3 365.562 2.693 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001228646636 1036226761 /nfs/dbraw/zinc/22/67/61/1036226761.db2.gz IZDNPOGRSYCKBE-AQNXPRMDSA-N 1 3 359.514 2.574 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccsc1 ZINC001229933483 1036986672 /nfs/dbraw/zinc/98/66/72/1036986672.db2.gz QCUJTOWYCRYYPT-IAGOWNOFSA-N 1 3 360.527 2.972 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266745 1037186089 /nfs/dbraw/zinc/18/60/89/1037186089.db2.gz XWHFMPLUWQVTFN-WOJBJXKFSA-N 1 3 361.530 2.805 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C2)c1 ZINC001207262928 1037293515 /nfs/dbraw/zinc/29/35/15/1037293515.db2.gz MESGZVHQCVVZKE-NSISKUIASA-N 1 3 363.521 2.865 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C2)c1 ZINC001207262928 1037293530 /nfs/dbraw/zinc/29/35/30/1037293530.db2.gz MESGZVHQCVVZKE-NSISKUIASA-N 1 3 363.521 2.865 20 0 FFADHO COCCN1c2ccccc2C2(CC[NH+](CC(C)(C)CN(C)C)CC2)C1=O ZINC001207281631 1037311646 /nfs/dbraw/zinc/31/16/46/1037311646.db2.gz GIIGTPHLIBWMKP-UHFFFAOYSA-N 1 3 373.541 2.601 20 0 FFADHO COC(=O)c1ccc(CN2CCN(CCC3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC001207485259 1037484947 /nfs/dbraw/zinc/48/49/47/1037484947.db2.gz VWIVLLHGWNPBQW-GOSISDBHSA-N 1 3 373.541 2.711 20 0 FFADHO Cc1cccc(CC[NH+]2CCC(N3CCC(C(=O)N(C)C)CC3)CC2)c1 ZINC001207538373 1037530293 /nfs/dbraw/zinc/53/02/93/1037530293.db2.gz FHPJWSAEPQLQTC-UHFFFAOYSA-N 1 3 357.542 2.802 20 0 FFADHO c1nc(CNC2CCC2)c2n1CCCN(Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001235565943 1037627225 /nfs/dbraw/zinc/62/72/25/1037627225.db2.gz OBHBSCVNUYNMEF-UHFFFAOYSA-N 1 3 365.525 2.577 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCN[C@@H](c3cccc(Br)c3)C2)C1 ZINC001235796742 1037750516 /nfs/dbraw/zinc/75/05/16/1037750516.db2.gz VGOIQLZMVRSQNA-RHSMWYFYSA-N 1 3 352.320 2.737 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCN[C@@H](c3cccc(Br)c3)C2)C1 ZINC001235796742 1037750533 /nfs/dbraw/zinc/75/05/33/1037750533.db2.gz VGOIQLZMVRSQNA-RHSMWYFYSA-N 1 3 352.320 2.737 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3ccc(Cl)cc3Cl)C[C@H]1C2 ZINC001236024183 1037893084 /nfs/dbraw/zinc/89/30/84/1037893084.db2.gz XGNSHFBUEVGZJK-PXMRGAAZSA-N 1 3 369.292 2.824 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3c(Cl)ccc(C)c3F)C[C@H]1C2 ZINC001236026110 1037893159 /nfs/dbraw/zinc/89/31/59/1037893159.db2.gz IXNFHUIIPLPEGN-IZSNYMMISA-N 1 3 366.864 2.618 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccccc3-c3nccs3)C[C@H]1CNCC2 ZINC001236037990 1037899093 /nfs/dbraw/zinc/89/90/93/1037899093.db2.gz FXEXEBSQMFOEJW-OXQOHEQNSA-N 1 3 371.506 2.785 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccccc3-c3nccs3)C[C@H]1CNCC2 ZINC001236037990 1037899097 /nfs/dbraw/zinc/89/90/97/1037899097.db2.gz FXEXEBSQMFOEJW-OXQOHEQNSA-N 1 3 371.506 2.785 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]1CNCC2 ZINC001236037905 1037901392 /nfs/dbraw/zinc/90/13/92/1037901392.db2.gz MDGCYQYWMUEHFU-NVXWUHKLSA-N 1 3 356.388 2.680 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]1CNCC2 ZINC001236037905 1037901401 /nfs/dbraw/zinc/90/14/01/1037901401.db2.gz MDGCYQYWMUEHFU-NVXWUHKLSA-N 1 3 356.388 2.680 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC001236074288 1037917004 /nfs/dbraw/zinc/91/70/04/1037917004.db2.gz WVZVIPADWDLOMP-NRFANRHFSA-N 1 3 351.494 2.873 20 0 FFADHO Cc1cc(F)ccc1CN(Cc1nc2c(s1)CNCC2)C1CC[NH2+]CC1 ZINC001236522513 1038116956 /nfs/dbraw/zinc/11/69/56/1038116956.db2.gz XGYLZMVMULXQIC-UHFFFAOYSA-N 1 3 374.529 2.991 20 0 FFADHO NC(=O)C1CCN(C2CC[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC001255720533 1038143129 /nfs/dbraw/zinc/14/31/29/1038143129.db2.gz MFKJEMWKPCOHNI-GOEBONIOSA-N 1 3 361.452 2.769 20 0 FFADHO COc1ccc(O[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC001236623385 1038159349 /nfs/dbraw/zinc/15/93/49/1038159349.db2.gz SXGYVIXZNJWECB-HXUWFJFHSA-N 1 3 353.466 2.779 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)N(CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255808895 1038182438 /nfs/dbraw/zinc/18/24/38/1038182438.db2.gz VUVVURAGIZFGCH-KBAYOESNSA-N 1 3 350.528 2.831 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1 ZINC001232150261 1038199035 /nfs/dbraw/zinc/19/90/35/1038199035.db2.gz QXCMTKKCSQMRGI-RTBURBONSA-N 1 3 369.488 2.636 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1 ZINC001232150261 1038199045 /nfs/dbraw/zinc/19/90/45/1038199045.db2.gz QXCMTKKCSQMRGI-RTBURBONSA-N 1 3 369.488 2.636 20 0 FFADHO C[NH+](C)CC[C@@H](NC1CCN(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001255969991 1038281180 /nfs/dbraw/zinc/28/11/80/1038281180.db2.gz JNUVNXUVQSGRRP-MRXNPFEDSA-N 1 3 357.420 2.822 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208609534 1038443201 /nfs/dbraw/zinc/44/32/01/1038443201.db2.gz MFGPVWTVPLHGFR-RBUKOAKNSA-N 1 3 361.530 2.677 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208609534 1038443204 /nfs/dbraw/zinc/44/32/04/1038443204.db2.gz MFGPVWTVPLHGFR-RBUKOAKNSA-N 1 3 361.530 2.677 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)C1 ZINC001208610863 1038445269 /nfs/dbraw/zinc/44/52/69/1038445269.db2.gz ANYNYXYLTMJNLF-PKOBYXMFSA-N 1 3 364.484 2.961 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)C1 ZINC001208610863 1038445273 /nfs/dbraw/zinc/44/52/73/1038445273.db2.gz ANYNYXYLTMJNLF-PKOBYXMFSA-N 1 3 364.484 2.961 20 0 FFADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208619711 1038452104 /nfs/dbraw/zinc/45/21/04/1038452104.db2.gz JHQRLLSOQUYPHZ-KVOUSDQISA-N 1 3 353.526 2.992 20 0 FFADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208619711 1038452105 /nfs/dbraw/zinc/45/21/05/1038452105.db2.gz JHQRLLSOQUYPHZ-KVOUSDQISA-N 1 3 353.526 2.992 20 0 FFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2)CCN1Cc1ccccc1 ZINC001256530240 1038546231 /nfs/dbraw/zinc/54/62/31/1038546231.db2.gz AMBZSIKELMBXDK-JBACZVJFSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)CC1 ZINC001256558040 1038558242 /nfs/dbraw/zinc/55/82/42/1038558242.db2.gz GNHRMLOZVUMYEX-SFHVURJKSA-N 1 3 369.513 2.696 20 0 FFADHO O=C(NC1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC001208935489 1038594733 /nfs/dbraw/zinc/59/47/33/1038594733.db2.gz KLBVQGHEOKXFJW-IBGZPJMESA-N 1 3 355.526 2.889 20 0 FFADHO O=C(NC1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC001208935489 1038594739 /nfs/dbraw/zinc/59/47/39/1038594739.db2.gz KLBVQGHEOKXFJW-IBGZPJMESA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CC[C@H]2[C@H](CCN2C[C@H]2CC[N@H+](Cc3ccccc3)C2)N1CC1CC1 ZINC001208942383 1038597614 /nfs/dbraw/zinc/59/76/14/1038597614.db2.gz DCAFUUIKRKNZNY-FKBYEOEOSA-N 1 3 367.537 2.984 20 0 FFADHO O=C1CC[C@H]2[C@H](CCN2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)N1CC1CC1 ZINC001208942383 1038597617 /nfs/dbraw/zinc/59/76/17/1038597617.db2.gz DCAFUUIKRKNZNY-FKBYEOEOSA-N 1 3 367.537 2.984 20 0 FFADHO Brc1ncccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683807 1038601600 /nfs/dbraw/zinc/60/16/00/1038601600.db2.gz IAGOXDPSXZOBJM-UHFFFAOYSA-N 1 3 354.292 2.577 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3ccncc3)cc2)CC1 ZINC001256723696 1038610962 /nfs/dbraw/zinc/61/09/62/1038610962.db2.gz ZEINYJKVCRNFFL-LJQANCHMSA-N 1 3 352.526 2.940 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001208983714 1038616480 /nfs/dbraw/zinc/61/64/80/1038616480.db2.gz HUPZLSZXHSYETB-SFHVURJKSA-N 1 3 369.550 2.819 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001208983714 1038616481 /nfs/dbraw/zinc/61/64/81/1038616481.db2.gz HUPZLSZXHSYETB-SFHVURJKSA-N 1 3 369.550 2.819 20 0 FFADHO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](CCCN3CCCCC3)C2)O1 ZINC001209450836 1038878637 /nfs/dbraw/zinc/87/86/37/1038878637.db2.gz CTALOLKNXZNXNK-TZIWHRDSSA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](CCCN3CCCCC3)C2)O1 ZINC001209450836 1038878660 /nfs/dbraw/zinc/87/86/60/1038878660.db2.gz CTALOLKNXZNXNK-TZIWHRDSSA-N 1 3 365.562 2.648 20 0 FFADHO O[C@H](CN[C@@H](c1ccccc1F)C1CC[NH2+]CC1)COc1ccccc1 ZINC001245998105 1039182287 /nfs/dbraw/zinc/18/22/87/1039182287.db2.gz GKLVPBKXGZGIND-DYESRHJHSA-N 1 3 358.457 2.896 20 0 FFADHO C[C@H]1C[NH+](CCc2nnc(-c3cnccc3N3CCCCC3)o2)C[C@H](C)O1 ZINC001258120778 1039191700 /nfs/dbraw/zinc/19/17/00/1039191700.db2.gz SYMIACSKJUXSEV-HOTGVXAUSA-N 1 3 371.485 2.774 20 0 FFADHO COc1cccc(C[C@H]2CCC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC001246052930 1039222549 /nfs/dbraw/zinc/22/25/49/1039222549.db2.gz MONVWADZARWMCU-AKIFATBCSA-N 1 3 368.521 2.881 20 0 FFADHO COc1cccc(C[C@H]2CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC001246052930 1039222563 /nfs/dbraw/zinc/22/25/63/1039222563.db2.gz MONVWADZARWMCU-AKIFATBCSA-N 1 3 368.521 2.881 20 0 FFADHO C[C@@H]1CC[C@@H](NC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246294292 1039303161 /nfs/dbraw/zinc/30/31/61/1039303161.db2.gz MJMPQEZHGWZXIF-PTUXOGIPSA-N 1 3 367.537 2.780 20 0 FFADHO C[C@@H]([NH3+])CCN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246304262 1039305811 /nfs/dbraw/zinc/30/58/11/1039305811.db2.gz KUIRVZOIUOKBHL-WCVJEAGWSA-N 1 3 370.534 2.782 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCCN1CN[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246350625 1039318781 /nfs/dbraw/zinc/31/87/81/1039318781.db2.gz NMHQDUSXDVNYNF-IRXDYDNUSA-N 1 3 351.535 2.652 20 0 FFADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258338219 1039323645 /nfs/dbraw/zinc/32/36/45/1039323645.db2.gz UMUHFNMQKOORPI-MRXNPFEDSA-N 1 3 365.587 2.731 20 0 FFADHO CSC(C)(C)C[C@@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258338219 1039323653 /nfs/dbraw/zinc/32/36/53/1039323653.db2.gz UMUHFNMQKOORPI-MRXNPFEDSA-N 1 3 365.587 2.731 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC001210040222 1039344087 /nfs/dbraw/zinc/34/40/87/1039344087.db2.gz CUURILCZVYMZHN-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1C ZINC001210040222 1039344097 /nfs/dbraw/zinc/34/40/97/1039344097.db2.gz CUURILCZVYMZHN-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC001251929484 1039359081 /nfs/dbraw/zinc/35/90/81/1039359081.db2.gz HGZSZHXLTXIDSB-IPMKNSEASA-N 1 3 350.478 2.904 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC001251929484 1039359091 /nfs/dbraw/zinc/35/90/91/1039359091.db2.gz HGZSZHXLTXIDSB-IPMKNSEASA-N 1 3 350.478 2.904 20 0 FFADHO C[C@@H](CCN)[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246516342 1039381269 /nfs/dbraw/zinc/38/12/69/1039381269.db2.gz VOULJLFWBRGZHS-JJXSEGSLSA-N 1 3 370.534 2.782 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H](C)CCc3ccc(OC)cc3)C[C@@H]1CNCCC2 ZINC001246593003 1039409421 /nfs/dbraw/zinc/40/94/21/1039409421.db2.gz FBUFKTRMGAODRT-JLMWRMLUSA-N 1 3 374.525 2.881 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H](C)CCc3ccc(OC)cc3)C[C@@H]1CNCCC2 ZINC001246593003 1039409430 /nfs/dbraw/zinc/40/94/30/1039409430.db2.gz FBUFKTRMGAODRT-JLMWRMLUSA-N 1 3 374.525 2.881 20 0 FFADHO CC1(C)COC2(CCC([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)CC2)OC1 ZINC001258521592 1039416485 /nfs/dbraw/zinc/41/64/85/1039416485.db2.gz VPBUVHUZUJAXJJ-UAPYVXQJSA-N 1 3 366.546 2.931 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210179450 1039420869 /nfs/dbraw/zinc/42/08/69/1039420869.db2.gz NSOYZJXNJSTASW-AQNXPRMDSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001210179450 1039420875 /nfs/dbraw/zinc/42/08/75/1039420875.db2.gz NSOYZJXNJSTASW-AQNXPRMDSA-N 1 3 367.578 2.894 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246720457 1039451463 /nfs/dbraw/zinc/45/14/63/1039451463.db2.gz MFRUXGHPGZFAHN-FANLQWHUSA-N 1 3 367.537 2.827 20 0 FFADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CCN1 ZINC001246760297 1039469713 /nfs/dbraw/zinc/46/97/13/1039469713.db2.gz VKLZKCWXGWHSRO-OOHXRKOZSA-N 1 3 361.555 2.505 20 0 FFADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CCN1 ZINC001246760297 1039469728 /nfs/dbraw/zinc/46/97/28/1039469728.db2.gz VKLZKCWXGWHSRO-OOHXRKOZSA-N 1 3 361.555 2.505 20 0 FFADHO CNC(=O)C[C@H]1CC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c2ccccc21 ZINC001246765968 1039471013 /nfs/dbraw/zinc/47/10/13/1039471013.db2.gz OGNAJWUZKOLWJE-SQNIBIBYSA-N 1 3 355.526 2.784 20 0 FFADHO CNC(=O)C[C@H]1CC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c2ccccc21 ZINC001246765968 1039471023 /nfs/dbraw/zinc/47/10/23/1039471023.db2.gz OGNAJWUZKOLWJE-SQNIBIBYSA-N 1 3 355.526 2.784 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CCN(C2CC[NH2+]CC2)CC1 ZINC001246765136 1039471431 /nfs/dbraw/zinc/47/14/31/1039471431.db2.gz HSMGGTJMNOWFMX-HXUWFJFHSA-N 1 3 370.541 2.797 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+](C2CCNCC2)CC1 ZINC001246765136 1039471446 /nfs/dbraw/zinc/47/14/46/1039471446.db2.gz HSMGGTJMNOWFMX-HXUWFJFHSA-N 1 3 370.541 2.797 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@H+](C)[C@H]2CCN[C@@H](C)C2)CC1 ZINC001246781971 1039477749 /nfs/dbraw/zinc/47/77/49/1039477749.db2.gz ZGGMXGCSOQTFJT-WMZOPIPTSA-N 1 3 361.530 2.741 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@@H+](C)[C@H]2CCN[C@@H](C)C2)CC1 ZINC001246781971 1039477758 /nfs/dbraw/zinc/47/77/58/1039477758.db2.gz ZGGMXGCSOQTFJT-WMZOPIPTSA-N 1 3 361.530 2.741 20 0 FFADHO Clc1ccc([C@@H]2C[NH2+]CCN2C2CCC(N3CCOCC3)CC2)cc1 ZINC001246814033 1039492004 /nfs/dbraw/zinc/49/20/04/1039492004.db2.gz SFCNEVAGXBCVJZ-MHJFOBGBSA-N 1 3 363.933 2.930 20 0 FFADHO CC(C)(C)c1ccc(CN2CCN([C@@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246819199 1039492104 /nfs/dbraw/zinc/49/21/04/1039492104.db2.gz RXRRBQSLXLQCEA-IBGZPJMESA-N 1 3 359.583 2.949 20 0 FFADHO Fc1cc(C(F)(F)F)ccc1N1CCN([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246867630 1039510518 /nfs/dbraw/zinc/51/05/18/1039510518.db2.gz JMQKYLOCTQBZMI-AGGWBTHJSA-N 1 3 357.395 2.965 20 0 FFADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258848651 1039537996 /nfs/dbraw/zinc/53/79/96/1039537996.db2.gz QKXFVQPMIZOELC-IBGZPJMESA-N 1 3 354.498 2.532 20 0 FFADHO CC[C@@H](Cc1ccccc1)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258848651 1039538000 /nfs/dbraw/zinc/53/80/00/1039538000.db2.gz QKXFVQPMIZOELC-IBGZPJMESA-N 1 3 354.498 2.532 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)n1cc(Br)ccc1=NCCN ZINC001258902412 1039574054 /nfs/dbraw/zinc/57/40/54/1039574054.db2.gz CGPOJHHSPBBPDO-AWEZNQCLSA-N 1 3 357.340 2.793 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(OC)ccc1S(C)(=O)=O ZINC001258906212 1039574263 /nfs/dbraw/zinc/57/42/63/1039574263.db2.gz ACOHQFDNYZXNKU-HNNXBMFYSA-N 1 3 356.532 2.699 20 0 FFADHO CC[C@@H]1Cc2ccccc2CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001252931931 1039811386 /nfs/dbraw/zinc/81/13/86/1039811386.db2.gz PGEQMLJSZNYMOQ-FXAWDEMLSA-N 1 3 360.546 2.805 20 0 FFADHO CC[C@@H]1Cc2ccccc2CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001252931931 1039811406 /nfs/dbraw/zinc/81/14/06/1039811406.db2.gz PGEQMLJSZNYMOQ-FXAWDEMLSA-N 1 3 360.546 2.805 20 0 FFADHO Cc1ccnc(C2(CNC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001252951279 1039867157 /nfs/dbraw/zinc/86/71/57/1039867157.db2.gz QMUZEOJXYHYBJG-QFIPXVFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1ccnc(C2(CNC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001252951279 1039867184 /nfs/dbraw/zinc/86/71/84/1039867184.db2.gz QMUZEOJXYHYBJG-QFIPXVFZSA-N 1 3 351.494 2.648 20 0 FFADHO FC(F)(F)c1cccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1Cl ZINC001247831313 1039978230 /nfs/dbraw/zinc/97/82/30/1039978230.db2.gz RYUDXRGINLNQBP-JTQLQIEISA-N 1 3 358.751 2.685 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@](C)(O)c3ccccc3)cc2)CC1 ZINC001253116206 1039989031 /nfs/dbraw/zinc/98/90/31/1039989031.db2.gz FNTHSWLSUJECTE-HSZRJFAPSA-N 1 3 367.537 2.821 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2c1cccc2Br ZINC001253211479 1040047381 /nfs/dbraw/zinc/04/73/81/1040047381.db2.gz XDXYJWDUGGYKCC-CQSZACIVSA-N 1 3 368.319 2.765 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC001211270347 1040051750 /nfs/dbraw/zinc/05/17/50/1040051750.db2.gz WZJCDPMWUKCOQC-PMACEKPBSA-N 1 3 358.530 2.607 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC001211270347 1040051768 /nfs/dbraw/zinc/05/17/68/1040051768.db2.gz WZJCDPMWUKCOQC-PMACEKPBSA-N 1 3 358.530 2.607 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC001211296440 1040069842 /nfs/dbraw/zinc/06/98/42/1040069842.db2.gz NFMUPGCLVVOMQB-QUCCMNQESA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC001211296440 1040069853 /nfs/dbraw/zinc/06/98/53/1040069853.db2.gz NFMUPGCLVVOMQB-QUCCMNQESA-N 1 3 358.530 2.600 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211349625 1040094597 /nfs/dbraw/zinc/09/45/97/1040094597.db2.gz IFMKUMSCXPLLAD-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO C[NH+](C)CCN1CCO[C@@]2(CCCN(Cc3ccccc3C(F)F)C2)C1 ZINC001278716828 1040141124 /nfs/dbraw/zinc/14/11/24/1040141124.db2.gz JJHAMSUYNQRSLL-FQEVSTJZSA-N 1 3 367.484 2.853 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405505 1040157589 /nfs/dbraw/zinc/15/75/89/1040157589.db2.gz DSPYLNYEJPZQIC-ZACQAIPSSA-N 1 3 371.566 2.608 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405505 1040157595 /nfs/dbraw/zinc/15/75/95/1040157595.db2.gz DSPYLNYEJPZQIC-ZACQAIPSSA-N 1 3 371.566 2.608 20 0 FFADHO CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221644 1040346486 /nfs/dbraw/zinc/34/64/86/1040346486.db2.gz LPJLVCZXPFTKDH-RTBURBONSA-N 1 3 363.546 2.567 20 0 FFADHO CCOC(=O)C[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035095 1040538074 /nfs/dbraw/zinc/53/80/74/1040538074.db2.gz RGOAYRLXTRRHPX-HXUWFJFHSA-N 1 3 374.525 2.679 20 0 FFADHO CCOC(=O)C[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035095 1040538089 /nfs/dbraw/zinc/53/80/89/1040538089.db2.gz RGOAYRLXTRRHPX-HXUWFJFHSA-N 1 3 374.525 2.679 20 0 FFADHO OC1(C[N@@H+]2CC[C@H](c3cccnc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254039112 1040539736 /nfs/dbraw/zinc/53/97/36/1040539736.db2.gz ZIGRLRFIFPAGET-NRFANRHFSA-N 1 3 351.494 2.898 20 0 FFADHO OC1(C[N@H+]2CC[C@H](c3cccnc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254039112 1040539755 /nfs/dbraw/zinc/53/97/55/1040539755.db2.gz ZIGRLRFIFPAGET-NRFANRHFSA-N 1 3 351.494 2.898 20 0 FFADHO COc1ccc(NC(=O)NC2CCN([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254531335 1040783706 /nfs/dbraw/zinc/78/37/06/1040783706.db2.gz JZLKCUHFZDOFGL-GOSISDBHSA-N 1 3 360.502 2.765 20 0 FFADHO COc1ccc(NC(=O)NC2CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254531335 1040783718 /nfs/dbraw/zinc/78/37/18/1040783718.db2.gz JZLKCUHFZDOFGL-GOSISDBHSA-N 1 3 360.502 2.765 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](CC)c2ccccc2)C[C@H]1OC ZINC001213756271 1040878258 /nfs/dbraw/zinc/87/82/58/1040878258.db2.gz OYHPGYAMLXWOSZ-HSALFYBXSA-N 1 3 361.530 2.685 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](CC)c2ccccc2)C[C@H]1OC ZINC001213756271 1040878265 /nfs/dbraw/zinc/87/82/65/1040878265.db2.gz OYHPGYAMLXWOSZ-HSALFYBXSA-N 1 3 361.530 2.685 20 0 FFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255054278 1041121236 /nfs/dbraw/zinc/12/12/36/1041121236.db2.gz XIAZZHXDVBFMIZ-IEBNGJLISA-N 1 3 367.534 2.616 20 0 FFADHO CCN(CCN1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148619 1041171234 /nfs/dbraw/zinc/17/12/34/1041171234.db2.gz XRHSRXZTRCTORL-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO CCN(CCN1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148619 1041171238 /nfs/dbraw/zinc/17/12/38/1041171238.db2.gz XRHSRXZTRCTORL-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001255337243 1041273636 /nfs/dbraw/zinc/27/36/36/1041273636.db2.gz INYWHIBEECRBSK-NHCUHLMSSA-N 1 3 373.541 2.646 20 0 FFADHO Cn1cc2c(n1)[C@@H](C[NH2+][C@H]1CCCN(Cc3ccccc3)CC1)OCC2 ZINC001255383976 1041312074 /nfs/dbraw/zinc/31/20/74/1041312074.db2.gz QSHSOFRSJGUSNV-VQTJNVASSA-N 1 3 354.498 2.678 20 0 FFADHO NC(=O)c1ccccc1OCCN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389047 1041315762 /nfs/dbraw/zinc/31/57/62/1041315762.db2.gz JDUVXIQOVMMVIP-LJQANCHMSA-N 1 3 367.493 2.809 20 0 FFADHO NC(=O)c1ccccc1OCCN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389047 1041315774 /nfs/dbraw/zinc/31/57/74/1041315774.db2.gz JDUVXIQOVMMVIP-LJQANCHMSA-N 1 3 367.493 2.809 20 0 FFADHO CCO[C@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C)C1CC1 ZINC001214634446 1041512685 /nfs/dbraw/zinc/51/26/85/1041512685.db2.gz OINVYGWQYWHDFD-BHIYHBOVSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001215003601 1041641131 /nfs/dbraw/zinc/64/11/31/1041641131.db2.gz GSYANWQGPZDKED-RDTXWAMCSA-N 1 3 367.484 2.674 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccccc1O2 ZINC001262562928 1041722966 /nfs/dbraw/zinc/72/29/66/1041722966.db2.gz PFIFAIYHKPVJFN-PKOBYXMFSA-N 1 3 374.525 2.620 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCOC)C1 ZINC001215973147 1041921335 /nfs/dbraw/zinc/92/13/35/1041921335.db2.gz TZNJODOJFRIFAX-RTBURBONSA-N 1 3 355.567 2.752 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001216002245 1041928807 /nfs/dbraw/zinc/92/88/07/1041928807.db2.gz PNVKKQCJRWEGQI-UYAOXDASSA-N 1 3 361.530 2.624 20 0 FFADHO C[NH+](C)CCCOc1ccc(NC(=O)c2cc3c(s2)CNCC3)cc1 ZINC001263100430 1042104051 /nfs/dbraw/zinc/10/40/51/1042104051.db2.gz NWUSKQQBEVFYRN-UHFFFAOYSA-N 1 3 359.495 2.977 20 0 FFADHO COc1cc(Cl)ccc1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851828 1042144124 /nfs/dbraw/zinc/14/41/24/1042144124.db2.gz JHUYCOJSJJZWFG-RHSMWYFYSA-N 1 3 367.921 2.625 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001216852400 1042144237 /nfs/dbraw/zinc/14/42/37/1042144237.db2.gz YEBFXBYVIICUNG-UYAOXDASSA-N 1 3 361.530 2.622 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001216852144 1042144598 /nfs/dbraw/zinc/14/45/98/1042144598.db2.gz RAYLBRNINRLXAQ-CRAIPNDOSA-N 1 3 351.922 2.659 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001216852377 1042144649 /nfs/dbraw/zinc/14/46/49/1042144649.db2.gz XAZJSOCQPKKMRI-ZNZDAUKMSA-N 1 3 365.468 2.729 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc(Cl)n1 ZINC001263234176 1042189791 /nfs/dbraw/zinc/18/97/91/1042189791.db2.gz PJPIHFAYLXIGDV-OAHLLOKOSA-N 1 3 352.910 2.657 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)C[N@@H+]2C1 ZINC001263860663 1042499031 /nfs/dbraw/zinc/49/90/31/1042499031.db2.gz BWUVIFDVASDPBV-DUXKGJEZSA-N 1 3 370.541 2.530 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)C[N@H+]2C1 ZINC001263860663 1042499033 /nfs/dbraw/zinc/49/90/33/1042499033.db2.gz BWUVIFDVASDPBV-DUXKGJEZSA-N 1 3 370.541 2.530 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1)N(C)C ZINC001263928027 1042538149 /nfs/dbraw/zinc/53/81/49/1042538149.db2.gz RXWOSPMBZUSWDT-POZUXBRTSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC1CCOCC1)N(C)C ZINC001264564620 1042718825 /nfs/dbraw/zinc/71/88/25/1042718825.db2.gz ZEEYWWNKYHHOAT-YZGWKJHDSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090990 1042903048 /nfs/dbraw/zinc/90/30/48/1042903048.db2.gz YHGPZABQZIUEKK-XLIONFOSSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090990 1042903052 /nfs/dbraw/zinc/90/30/52/1042903052.db2.gz YHGPZABQZIUEKK-XLIONFOSSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090990 1042903058 /nfs/dbraw/zinc/90/30/58/1042903058.db2.gz YHGPZABQZIUEKK-XLIONFOSSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090988 1042903310 /nfs/dbraw/zinc/90/33/10/1042903310.db2.gz YHGPZABQZIUEKK-FXAWDEMLSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090988 1042903313 /nfs/dbraw/zinc/90/33/13/1042903313.db2.gz YHGPZABQZIUEKK-FXAWDEMLSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@H]1CCCCN1CCC[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090988 1042903314 /nfs/dbraw/zinc/90/33/14/1042903314.db2.gz YHGPZABQZIUEKK-FXAWDEMLSA-N 1 3 369.550 2.603 20 0 FFADHO CCOc1ccc2[nH]cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4CCN(C)C)c2c1 ZINC001279248040 1042965012 /nfs/dbraw/zinc/96/50/12/1042965012.db2.gz ASVHZNKQIZMIJE-HDICACEKSA-N 1 3 356.514 2.777 20 0 FFADHO CCOc1ccc2[nH]cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4CCN(C)C)c2c1 ZINC001279248040 1042965015 /nfs/dbraw/zinc/96/50/15/1042965015.db2.gz ASVHZNKQIZMIJE-HDICACEKSA-N 1 3 356.514 2.777 20 0 FFADHO Cc1cc(F)ccc1C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001279316585 1042997321 /nfs/dbraw/zinc/99/73/21/1042997321.db2.gz RRUDCKLVKZXKAP-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3cc(O)cc(Cl)c3)(C1)CCC2 ZINC001279318179 1042998312 /nfs/dbraw/zinc/99/83/12/1042998312.db2.gz LHRGNKUOBQNUKS-MOPGFXCFSA-N 1 3 365.905 2.658 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]2CC1 ZINC001279397128 1043052842 /nfs/dbraw/zinc/05/28/42/1043052842.db2.gz OYBXSHMSGLSVGV-IYBDPMFKSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]2CC1 ZINC001279397128 1043052853 /nfs/dbraw/zinc/05/28/53/1043052853.db2.gz OYBXSHMSGLSVGV-IYBDPMFKSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1ccc(Br)s1)CC2 ZINC001279397783 1043053521 /nfs/dbraw/zinc/05/35/21/1043053521.db2.gz PMQRKRAIVYZPEX-UHFFFAOYSA-N 1 3 372.376 2.970 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCC12C[NH2+]C2 ZINC001237429738 1043154874 /nfs/dbraw/zinc/15/48/74/1043154874.db2.gz JBBHHZHFCNCYPK-KRWDZBQOSA-N 1 3 371.506 2.785 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc(Cl)c(C)c2C)CCC12C[NH2+]C2 ZINC001237435526 1043159863 /nfs/dbraw/zinc/15/98/63/1043159863.db2.gz IEUMKDNCELFVDU-MRXNPFEDSA-N 1 3 350.890 2.931 20 0 FFADHO C[NH+](C)CCN1CCO[C@@]2(CCCN(Cc3cc4cccnc4s3)C2)C1 ZINC001279492744 1043179447 /nfs/dbraw/zinc/17/94/47/1043179447.db2.gz PPIYIKRQZFPTDM-FQEVSTJZSA-N 1 3 374.554 2.525 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccc(N3CCCCC3)o1)C2 ZINC001279531633 1043231003 /nfs/dbraw/zinc/23/10/03/1043231003.db2.gz MZEYTRNMMZGMPH-UHFFFAOYSA-N 1 3 360.546 2.729 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cn(C)nc3C3CC3)C2)C1 ZINC001279554923 1043250272 /nfs/dbraw/zinc/25/02/72/1043250272.db2.gz LPDVKLVKBYDWOS-OAQYLSRUSA-N 1 3 359.562 2.537 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cn(C)nc3C3CC3)C2)C1 ZINC001279554923 1043250294 /nfs/dbraw/zinc/25/02/94/1043250294.db2.gz LPDVKLVKBYDWOS-OAQYLSRUSA-N 1 3 359.562 2.537 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc4ncnc(Cl)c4c3)CC2)CC1 ZINC001237581345 1043254471 /nfs/dbraw/zinc/25/44/71/1043254471.db2.gz MLYSDSSSAVLDLR-UHFFFAOYSA-N 1 3 373.932 2.743 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cccn3Cc3ccccc3)[C@@H]2C1 ZINC001279564719 1043264727 /nfs/dbraw/zinc/26/47/27/1043264727.db2.gz QVLIJVQILBIRNM-RBBKRZOGSA-N 1 3 352.526 2.604 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cccn3Cc3ccccc3)[C@@H]2C1 ZINC001279564719 1043264738 /nfs/dbraw/zinc/26/47/38/1043264738.db2.gz QVLIJVQILBIRNM-RBBKRZOGSA-N 1 3 352.526 2.604 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](CCOCc1ccccc1)CC2 ZINC001279583731 1043294109 /nfs/dbraw/zinc/29/41/09/1043294109.db2.gz FXPDXVWDUBOMRU-UHFFFAOYSA-N 1 3 354.498 2.914 20 0 FFADHO COc1c(Cl)ccc(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)c1F ZINC001279612484 1043340159 /nfs/dbraw/zinc/34/01/59/1043340159.db2.gz QAJJHJYEOCXRHM-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO COc1cccc(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001279615339 1043344589 /nfs/dbraw/zinc/34/45/89/1043344589.db2.gz IKZQLOWANPEBBQ-UHFFFAOYSA-N 1 3 354.498 2.532 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3ccccc3OC)(C1)C2 ZINC001279953653 1043976420 /nfs/dbraw/zinc/97/64/20/1043976420.db2.gz AOIICPCMYORWNI-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CC(C)(C)OC(=O)CCN[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001280045901 1044132912 /nfs/dbraw/zinc/13/29/12/1044132912.db2.gz OQEZGMOWTPZBFP-VQTJNVASSA-N 1 3 362.518 2.640 20 0 FFADHO CN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCN(C)C1 ZINC001312712645 1044159520 /nfs/dbraw/zinc/15/95/20/1044159520.db2.gz BTJNLQLPVNZQNP-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCN(C)C1 ZINC001312712645 1044159524 /nfs/dbraw/zinc/15/95/24/1044159524.db2.gz BTJNLQLPVNZQNP-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC001312741385 1044165285 /nfs/dbraw/zinc/16/52/85/1044165285.db2.gz QDBSVOLGLZAMDT-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCN(Cc2cccc(-c3ccc(CN4CC[NH2+]CC4)cc3)c2)CC1 ZINC001240298169 1044302431 /nfs/dbraw/zinc/30/24/31/1044302431.db2.gz NLDQQQKSZGDFSI-UHFFFAOYSA-N 1 3 364.537 2.506 20 0 FFADHO CN1CCN(Cc2cccc(-c3ccccc3Cn3cc[nH+]c3N)c2)CC1 ZINC001240303623 1044307883 /nfs/dbraw/zinc/30/78/83/1044307883.db2.gz KDXIIVJZGJXLAC-UHFFFAOYSA-N 1 3 361.493 2.928 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001313426616 1044354795 /nfs/dbraw/zinc/35/47/95/1044354795.db2.gz ZGQFTRNNQDUHAR-NJDAHSKKSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001313426616 1044354802 /nfs/dbraw/zinc/35/48/02/1044354802.db2.gz ZGQFTRNNQDUHAR-NJDAHSKKSA-N 1 3 372.557 2.533 20 0 FFADHO COc1c(F)cc(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)cc1Cl ZINC001278340598 1044668635 /nfs/dbraw/zinc/66/86/35/1044668635.db2.gz SPFIPMIUXOIIIY-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO COc1ccc(CN2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)cc1C ZINC001316796353 1045010065 /nfs/dbraw/zinc/01/00/65/1045010065.db2.gz JZLHDZXGLJPOFW-MJGOQNOKSA-N 1 3 361.530 2.815 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)Cc1ccco1 ZINC001323275738 1045528036 /nfs/dbraw/zinc/52/80/36/1045528036.db2.gz CGEFCNVDDJZHMT-ZWKOTPCHSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@@H]1CN(Cc2ccc(-c3cnn(C)c3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001321496246 1045684727 /nfs/dbraw/zinc/68/47/27/1045684727.db2.gz JIKHCBRWJNKWHP-XMSQKQJNSA-N 1 3 367.541 2.545 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cccc(Cl)c2F)C2CC2)CC[N@@H+]1C ZINC001323000896 1046300343 /nfs/dbraw/zinc/30/03/43/1046300343.db2.gz SLLCVWAJMSEJNW-VMGRFDJRSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cccc(Cl)c2F)C2CC2)CC[N@H+]1C ZINC001323000896 1046300352 /nfs/dbraw/zinc/30/03/52/1046300352.db2.gz SLLCVWAJMSEJNW-VMGRFDJRSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325355356 1046481143 /nfs/dbraw/zinc/48/11/43/1046481143.db2.gz WLDGXYUVVVMDPO-QUCCMNQESA-N 1 3 370.541 2.997 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001326006583 1046718824 /nfs/dbraw/zinc/71/88/24/1046718824.db2.gz PAODCVGWSMDQPA-ROUUACIJSA-N 1 3 358.530 2.793 20 0 FFADHO NC1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC2(CCC2)C1 ZINC001331428275 1047929507 /nfs/dbraw/zinc/92/95/07/1047929507.db2.gz ZZBOGSVUQSRUBQ-SFHVURJKSA-N 1 3 354.498 2.571 20 0 FFADHO NC1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC2(CCC2)C1 ZINC001331428275 1047929511 /nfs/dbraw/zinc/92/95/11/1047929511.db2.gz ZZBOGSVUQSRUBQ-SFHVURJKSA-N 1 3 354.498 2.571 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C/C=C/c2ccccc2)CC[N@@H+]1C ZINC001328738320 1048442844 /nfs/dbraw/zinc/44/28/44/1048442844.db2.gz SNHFQRRYRJDSJC-SRDLOIQWSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C/C=C/c2ccccc2)CC[N@H+]1C ZINC001328738320 1048442850 /nfs/dbraw/zinc/44/28/50/1048442850.db2.gz SNHFQRRYRJDSJC-SRDLOIQWSA-N 1 3 355.526 2.963 20 0 FFADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)Cc1ccccc1 ZINC001333664775 1049039376 /nfs/dbraw/zinc/03/93/76/1049039376.db2.gz AKZLPANBPVLHIE-BURNTYAHSA-N 1 3 372.557 2.531 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC1CC[NH+](C2CC2)CC1 ZINC001292907476 1049434719 /nfs/dbraw/zinc/43/47/19/1049434719.db2.gz SOFWCXNJWZTTQD-IRXDYDNUSA-N 1 3 374.577 2.634 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001294886239 1049826676 /nfs/dbraw/zinc/82/66/76/1049826676.db2.gz SVNVWDFJXPYQNG-AYWYSENESA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001294886239 1049826684 /nfs/dbraw/zinc/82/66/84/1049826684.db2.gz SVNVWDFJXPYQNG-AYWYSENESA-N 1 3 355.526 2.840 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001295996852 1050010342 /nfs/dbraw/zinc/01/03/42/1050010342.db2.gz OJSYQHXDEIRWMN-JKSUJKDBSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccc(CC[NH3+])cc3)cc2)CC1 ZINC001341732913 1050351487 /nfs/dbraw/zinc/35/14/87/1050351487.db2.gz MQJKFZOKBIFZGX-UHFFFAOYSA-N 1 3 352.482 2.582 20 0 FFADHO Cc1csc(CN[C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)n1 ZINC001316666192 1050623307 /nfs/dbraw/zinc/62/33/07/1050623307.db2.gz BLSNJBOUQSGRSC-DLBZAZTESA-N 1 3 364.559 2.702 20 0 FFADHO Cc1cccc(NCCNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC001340472190 1050867616 /nfs/dbraw/zinc/86/76/16/1050867616.db2.gz IDEZQSHKJMWQHA-HNNXBMFYSA-N 1 3 352.360 2.637 20 0 FFADHO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN1CC=CCC1 ZINC001302933658 1051231071 /nfs/dbraw/zinc/23/10/71/1051231071.db2.gz OQNXRDVTOMGEFT-UHFFFAOYSA-N 1 3 374.577 2.659 20 0 FFADHO CC(C)Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN1CC=CCC1 ZINC001302933658 1051231078 /nfs/dbraw/zinc/23/10/78/1051231078.db2.gz OQNXRDVTOMGEFT-UHFFFAOYSA-N 1 3 374.577 2.659 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1[nH]nc2c1COCC2 ZINC001341058912 1051399508 /nfs/dbraw/zinc/39/95/08/1051399508.db2.gz DAERQZCXLIPTJS-HZPDHXFCSA-N 1 3 354.498 2.729 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1 ZINC001342822385 1051430553 /nfs/dbraw/zinc/43/05/53/1051430553.db2.gz DJGRHFDAPUZLFO-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1 ZINC001342822385 1051430557 /nfs/dbraw/zinc/43/05/57/1051430557.db2.gz DJGRHFDAPUZLFO-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCc3ccsc3)CC2)CC1 ZINC001341264607 1051623245 /nfs/dbraw/zinc/62/32/45/1051623245.db2.gz FJABSWHKPRUYPX-UHFFFAOYSA-N 1 3 364.559 2.539 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001343190128 1052043951 /nfs/dbraw/zinc/04/39/51/1052043951.db2.gz XGMZWVWSPSGVDS-PMXSJFBMSA-N 1 3 372.557 2.879 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001306187665 1052059329 /nfs/dbraw/zinc/05/93/29/1052059329.db2.gz KNKCSNJHWWMKCN-UHFFFAOYSA-N 1 3 364.582 2.880 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001306200910 1052062530 /nfs/dbraw/zinc/06/25/30/1052062530.db2.gz QZPAYOPVDISWFV-GOSISDBHSA-N 1 3 374.577 2.637 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001306200910 1052062532 /nfs/dbraw/zinc/06/25/32/1052062532.db2.gz QZPAYOPVDISWFV-GOSISDBHSA-N 1 3 374.577 2.637 20 0 FFADHO CC(C)CC[NH+]1CCC(NC[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC001308883267 1052511999 /nfs/dbraw/zinc/51/19/99/1052511999.db2.gz FXKPBWURBBNSEJ-QHCPKHFHSA-N 1 3 372.601 2.903 20 0 FFADHO CN(Cc1ccccc1)C[C@@H](OC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001344792830 1052929810 /nfs/dbraw/zinc/92/98/10/1052929810.db2.gz YMNNPGDBEACYKO-HXUWFJFHSA-N 1 3 360.498 2.551 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]CCC(=O)Nc2ccccc2F)C[C@H](C)O1 ZINC001335351565 1053310843 /nfs/dbraw/zinc/31/08/43/1053310843.db2.gz RDGCDLPBJQZCLR-HOTGVXAUSA-N 1 3 351.466 2.633 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCCN(C)C2)c(OC)c1 ZINC001336021792 1053711280 /nfs/dbraw/zinc/71/12/80/1053711280.db2.gz TVPFKSNVGDDPJM-BBDZXRDTSA-N 1 3 362.514 2.790 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC001336716961 1054161929 /nfs/dbraw/zinc/16/19/29/1054161929.db2.gz ZCNLXDMJBHGROO-BZUAXINKSA-N 1 3 350.532 2.558 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001349354170 1055204611 /nfs/dbraw/zinc/20/46/11/1055204611.db2.gz CJOKWNCXCAQAME-FKPGQJDZSA-N 1 3 370.541 2.844 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001349354170 1055204613 /nfs/dbraw/zinc/20/46/13/1055204613.db2.gz CJOKWNCXCAQAME-FKPGQJDZSA-N 1 3 370.541 2.844 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001338529643 1055595956 /nfs/dbraw/zinc/59/59/56/1055595956.db2.gz ODJHEPXRBOBCIN-SFTDATJTSA-N 1 3 357.542 2.932 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001338529643 1055595961 /nfs/dbraw/zinc/59/59/61/1055595961.db2.gz ODJHEPXRBOBCIN-SFTDATJTSA-N 1 3 357.542 2.932 20 0 FFADHO O[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001356617002 1055616761 /nfs/dbraw/zinc/61/67/61/1055616761.db2.gz BZNYFLUQMAREFC-FQEVSTJZSA-N 1 3 374.912 2.990 20 0 FFADHO [NH2+]=C(NC[C@H](O)c1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000849068090 1055626940 /nfs/dbraw/zinc/62/69/40/1055626940.db2.gz SFYAYBWWQNMIFS-FQEVSTJZSA-N 1 3 370.472 2.638 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000849088560 1055635228 /nfs/dbraw/zinc/63/52/28/1055635228.db2.gz PNSNBIAOMOJQCG-RTWAWAEBSA-N 1 3 366.509 2.985 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001352677440 1055707423 /nfs/dbraw/zinc/70/74/23/1055707423.db2.gz RMQQEBCFKPFPCU-YQVWRLOYSA-N 1 3 372.561 2.560 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001352677440 1055707432 /nfs/dbraw/zinc/70/74/32/1055707432.db2.gz RMQQEBCFKPFPCU-YQVWRLOYSA-N 1 3 372.561 2.560 20 0 FFADHO CN(CC(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2)CC(C)(C)C ZINC001358314939 1056245270 /nfs/dbraw/zinc/24/52/70/1056245270.db2.gz PBQJCHHCLQYGSH-KRWDZBQOSA-N 1 3 359.514 2.808 20 0 FFADHO S=C(NCCN1CCCCC1)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001200428749 1056667899 /nfs/dbraw/zinc/66/78/99/1056667899.db2.gz QZRLEDAYNSZFPS-VQTJNVASSA-N 1 3 372.582 2.553 20 0 FFADHO S=C(NCCN1CCCCC1)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001200428749 1056667905 /nfs/dbraw/zinc/66/79/05/1056667905.db2.gz QZRLEDAYNSZFPS-VQTJNVASSA-N 1 3 372.582 2.553 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001545561855 1071801075 /nfs/dbraw/zinc/80/10/75/1071801075.db2.gz INAUSYYYDGACRU-IRXDYDNUSA-N 1 3 374.577 2.806 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001545561855 1071801090 /nfs/dbraw/zinc/80/10/90/1071801090.db2.gz INAUSYYYDGACRU-IRXDYDNUSA-N 1 3 374.577 2.806 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(cncc2Cl)s1 ZINC001300649067 1059146970 /nfs/dbraw/zinc/14/69/70/1059146970.db2.gz UELRYJSEBHLWAX-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(cncc2Cl)s1 ZINC001300649067 1059146985 /nfs/dbraw/zinc/14/69/85/1059146985.db2.gz UELRYJSEBHLWAX-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO O=C(Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1)C12CCCN1CCC2 ZINC001354669364 1059345057 /nfs/dbraw/zinc/34/50/57/1059345057.db2.gz DKEYOKYJVIDTOB-UHFFFAOYSA-N 1 3 353.470 2.597 20 0 FFADHO C[C@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506921823 1059578035 /nfs/dbraw/zinc/57/80/35/1059578035.db2.gz KONNPLXKUPBUGD-YRGRVCCFSA-N 1 3 358.939 2.511 20 0 FFADHO C[C@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506921823 1059578055 /nfs/dbraw/zinc/57/80/55/1059578055.db2.gz KONNPLXKUPBUGD-YRGRVCCFSA-N 1 3 358.939 2.511 20 0 FFADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(F)c(Cl)c1 ZINC001507079099 1059597136 /nfs/dbraw/zinc/59/71/36/1059597136.db2.gz JXTKPNLOEGUVCJ-UMVBOHGHSA-N 1 3 355.885 2.756 20 0 FFADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(F)c(Cl)c1 ZINC001507079099 1059597155 /nfs/dbraw/zinc/59/71/55/1059597155.db2.gz JXTKPNLOEGUVCJ-UMVBOHGHSA-N 1 3 355.885 2.756 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456434825 1060122999 /nfs/dbraw/zinc/12/29/99/1060122999.db2.gz SUNACPGOOGGFER-NRFANRHFSA-N 1 3 373.541 2.612 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456434825 1060123006 /nfs/dbraw/zinc/12/30/06/1060123006.db2.gz SUNACPGOOGGFER-NRFANRHFSA-N 1 3 373.541 2.612 20 0 FFADHO N[C@H](C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCCC1 ZINC001355546463 1060348363 /nfs/dbraw/zinc/34/83/63/1060348363.db2.gz INPYWCWORVYMLB-CUWPLCDZSA-N 1 3 357.498 2.656 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCN1CCC(C)CC1 ZINC001477295269 1061659515 /nfs/dbraw/zinc/65/95/15/1061659515.db2.gz NLUVQXYDEBAIPZ-UHFFFAOYSA-N 1 3 352.567 2.728 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001360024709 1061878679 /nfs/dbraw/zinc/87/86/79/1061878679.db2.gz BFONOUGYMMLFMN-QGZVFWFLSA-N 1 3 374.577 2.806 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001360024709 1061878699 /nfs/dbraw/zinc/87/86/99/1061878699.db2.gz BFONOUGYMMLFMN-QGZVFWFLSA-N 1 3 374.577 2.806 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1)c1ccccc1 ZINC001479488456 1062472390 /nfs/dbraw/zinc/47/23/90/1062472390.db2.gz LEQYMXQJAHLQSA-ILZDJORESA-N 1 3 370.497 2.523 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001498289435 1063803313 /nfs/dbraw/zinc/80/33/13/1063803313.db2.gz RMMVPGLGCCTEIP-MOXGXCLJSA-N 1 3 356.514 2.835 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001498289435 1063803328 /nfs/dbraw/zinc/80/33/28/1063803328.db2.gz RMMVPGLGCCTEIP-MOXGXCLJSA-N 1 3 356.514 2.835 20 0 FFADHO C[C@@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001467857521 1063868076 /nfs/dbraw/zinc/86/80/76/1063868076.db2.gz LLRFRFOUHFAWQH-HOTGVXAUSA-N 1 3 368.953 2.842 20 0 FFADHO C[C@@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001467857521 1063868082 /nfs/dbraw/zinc/86/80/82/1063868082.db2.gz LLRFRFOUHFAWQH-HOTGVXAUSA-N 1 3 368.953 2.842 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC001468143197 1063933327 /nfs/dbraw/zinc/93/33/27/1063933327.db2.gz NQFHRDIGSCRUQC-TZIWHRDSSA-N 1 3 372.557 2.991 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@@H+](C4CC4)C[C@H](C)C3)C2)cc1 ZINC001471145527 1064578955 /nfs/dbraw/zinc/57/89/55/1064578955.db2.gz SBPQATGREJHFTC-ICSRJNTNSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@H+](C4CC4)C[C@H](C)C3)C2)cc1 ZINC001471145527 1064578965 /nfs/dbraw/zinc/57/89/65/1064578965.db2.gz SBPQATGREJHFTC-ICSRJNTNSA-N 1 3 370.541 2.695 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCN1C ZINC001471393659 1064661383 /nfs/dbraw/zinc/66/13/83/1064661383.db2.gz AYCUEZYTCSMHEC-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC001471393659 1064661390 /nfs/dbraw/zinc/66/13/90/1064661390.db2.gz AYCUEZYTCSMHEC-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCN1C ZINC001471396601 1064663567 /nfs/dbraw/zinc/66/35/67/1064663567.db2.gz SMWIUEGMODCOJO-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1C ZINC001471396601 1064663572 /nfs/dbraw/zinc/66/35/72/1064663572.db2.gz SMWIUEGMODCOJO-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H](NC[C@H]([NH3+])CC(F)(F)F)C1CCCC1 ZINC001575216959 1078118409 /nfs/dbraw/zinc/11/84/09/1078118409.db2.gz VUTYLFJRINBCDG-CHWSQXEVSA-N 1 3 353.429 2.939 20 0 FFADHO CC(C)C[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)C(=O)Nc1nccs1 ZINC001575549293 1078151774 /nfs/dbraw/zinc/15/17/74/1078151774.db2.gz JJSWEMAYDIPJIN-QGZVFWFLSA-N 1 3 358.511 2.932 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)N(C)C)cc1 ZINC001575648196 1078160267 /nfs/dbraw/zinc/16/02/67/1078160267.db2.gz IWKJDTKBOIDDNN-AHRSYUTCSA-N 1 3 360.546 2.724 20 0 FFADHO CC(C)Cc1ccc(CNCc2ccc(CN3CC[NH2+]CC3)cc2)cn1 ZINC001575656016 1078160854 /nfs/dbraw/zinc/16/08/54/1078160854.db2.gz SCWYINUYLWJOMD-UHFFFAOYSA-N 1 3 352.526 2.975 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 ZINC001576117145 1078196969 /nfs/dbraw/zinc/19/69/69/1078196969.db2.gz ICGKYQONHPKFNH-HZPDHXFCSA-N 1 3 355.523 2.510 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC001474643664 1065568300 /nfs/dbraw/zinc/56/83/00/1065568300.db2.gz WNJJYTIBCFAJHI-BIXGBWIQSA-N 1 3 363.546 2.543 20 0 FFADHO C[C@H]1C[C@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1C(=O)OC(C)(C)C ZINC001576598921 1078248009 /nfs/dbraw/zinc/24/80/09/1078248009.db2.gz PXDSPYPCXPDMHA-ACZWYYKOSA-N 1 3 351.535 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC001576771756 1078273997 /nfs/dbraw/zinc/27/39/97/1078273997.db2.gz HCONASHOKXLHBZ-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC001576771756 1078274000 /nfs/dbraw/zinc/27/40/00/1078274000.db2.gz HCONASHOKXLHBZ-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@H]1CC2(CC2)C[NH2+]1 ZINC001577019103 1078294912 /nfs/dbraw/zinc/29/49/12/1078294912.db2.gz SQNAQAQQASHPMH-FJIDUMEYSA-N 1 3 374.577 2.853 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1[NH2+]CC[C@@H]1C ZINC001577027082 1078296194 /nfs/dbraw/zinc/29/61/94/1078296194.db2.gz JVNPDQJPYFLQLU-LNLFQRSKSA-N 1 3 374.577 2.854 20 0 FFADHO CC[C@H](Cn1c([C@@H]2CCCN2)nnc1N1CCC(C)CC1)[NH+]1CCCC1 ZINC001577104696 1078304180 /nfs/dbraw/zinc/30/41/80/1078304180.db2.gz XACBLYCJRXDSMV-MSOLQXFVSA-N 1 3 360.550 2.813 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC001578418764 1078471506 /nfs/dbraw/zinc/47/15/06/1078471506.db2.gz HHDMNOJRQGEADB-FQEVSTJZSA-N 1 3 353.466 2.704 20 0 FFADHO C[NH2+]C[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001578631659 1078506463 /nfs/dbraw/zinc/50/64/63/1078506463.db2.gz DMOFFDJJYZPMAV-MRXNPFEDSA-N 1 3 362.566 2.712 20 0 FFADHO Cc1nnc(N2CCC(C[NH3+])CC2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001579904672 1078711631 /nfs/dbraw/zinc/71/16/31/1078711631.db2.gz IGPQCKYLADMRCG-SFHVURJKSA-N 1 3 372.517 2.582 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)N(CC[NH+]3CCCCCC3)C3CCC3)cc21 ZINC001580184866 1078762117 /nfs/dbraw/zinc/76/21/17/1078762117.db2.gz LVPBVQSBUMUVGO-QGZVFWFLSA-N 1 3 359.518 2.547 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001580199900 1078764303 /nfs/dbraw/zinc/76/43/03/1078764303.db2.gz MYBARVSXKHUXPJ-RNJTYBCJSA-N 1 3 356.869 2.873 20 0 FFADHO NCC[N@H+](CCc1ccccc1)Cc1ccc(CN2CCOCC2)cc1 ZINC001580309670 1078784363 /nfs/dbraw/zinc/78/43/63/1078784363.db2.gz JYJQVIPGGRBCLZ-UHFFFAOYSA-N 1 3 353.510 2.522 20 0 FFADHO NCC[N@@H+](CCc1ccccc1)Cc1ccc(CN2CCOCC2)cc1 ZINC001580309670 1078784370 /nfs/dbraw/zinc/78/43/70/1078784370.db2.gz JYJQVIPGGRBCLZ-UHFFFAOYSA-N 1 3 353.510 2.522 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1CCC[C@@]12CC[NH2+]C2 ZINC001580704475 1078850005 /nfs/dbraw/zinc/85/00/05/1078850005.db2.gz YAQYEVPCUDUUAD-CTNGQTDRSA-N 1 3 356.514 2.579 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001550077736 1074139433 /nfs/dbraw/zinc/13/94/33/1074139433.db2.gz WDZCRNFJVGEFOV-ROUUACIJSA-N 1 3 371.868 2.764 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccccc3F)C[N@@H+]2C1 ZINC001583558535 1079233043 /nfs/dbraw/zinc/23/30/43/1079233043.db2.gz KSIGEJCXYULINM-QRQLOZEOSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccccc3F)C[N@H+]2C1 ZINC001583558535 1079233054 /nfs/dbraw/zinc/23/30/54/1079233054.db2.gz KSIGEJCXYULINM-QRQLOZEOSA-N 1 3 361.505 2.836 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(F)cc(OC)c3)C2)[C@H]1C(C)C ZINC001550424040 1074264071 /nfs/dbraw/zinc/26/40/71/1074264071.db2.gz XFVAOWNUCDCUEK-HAGHYFMRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(F)cc(OC)c3)C2)[C@H]1C(C)C ZINC001550424040 1074264076 /nfs/dbraw/zinc/26/40/76/1074264076.db2.gz XFVAOWNUCDCUEK-HAGHYFMRSA-N 1 3 350.478 2.794 20 0 FFADHO C[C@H](c1cccc(OC(F)(F)F)c1)[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC001550701854 1074441298 /nfs/dbraw/zinc/44/12/98/1074441298.db2.gz GSFSQLAOBCJNTR-RISCZKNCSA-N 1 3 355.364 2.643 20 0 FFADHO C[C@H](c1cccc(OC(F)(F)F)c1)[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC001550701854 1074441302 /nfs/dbraw/zinc/44/13/02/1074441302.db2.gz GSFSQLAOBCJNTR-RISCZKNCSA-N 1 3 355.364 2.643 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001551238154 1074657911 /nfs/dbraw/zinc/65/79/11/1074657911.db2.gz MGUUHEOTWDCARS-UHFFFAOYSA-N 1 3 363.468 2.636 20 0 FFADHO [NH3+][C@@H]1CC12CCC(NC(=O)N1CCCN(Cc3ccccc3)CC1)CC2 ZINC001551567580 1074758723 /nfs/dbraw/zinc/75/87/23/1074758723.db2.gz FLHQENSMGSVLCE-OBXNSHGQSA-N 1 3 356.514 2.564 20 0 FFADHO C[NH+](C)CC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001552858339 1075160568 /nfs/dbraw/zinc/16/05/68/1075160568.db2.gz KTADZWAPPLJVBR-UHFFFAOYSA-N 1 3 362.566 2.664 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)NC2CCC(C)(N3CCOCC3)CC2)c1 ZINC001553313207 1075280935 /nfs/dbraw/zinc/28/09/35/1075280935.db2.gz KTYJAKNQHYYAQF-UHFFFAOYSA-N 1 3 374.529 2.951 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCN(Cc4ccccc4)[C@H]3C)C[N@@H+]2C1 ZINC001556898965 1075786461 /nfs/dbraw/zinc/78/64/61/1075786461.db2.gz UTXKOIJRNJNUEA-DIZVHYTASA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCN(Cc4ccccc4)[C@H]3C)C[N@H+]2C1 ZINC001556898965 1075786463 /nfs/dbraw/zinc/78/64/63/1075786463.db2.gz UTXKOIJRNJNUEA-DIZVHYTASA-N 1 3 355.526 2.886 20 0 FFADHO CC(C)CCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566122160 1076922177 /nfs/dbraw/zinc/92/21/77/1076922177.db2.gz MEIYYRICDIWKIU-HSALFYBXSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)CCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566122160 1076922180 /nfs/dbraw/zinc/92/21/80/1076922180.db2.gz MEIYYRICDIWKIU-HSALFYBXSA-N 1 3 367.578 2.702 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(Cl)ccc1OC ZINC001567958055 1077062578 /nfs/dbraw/zinc/06/25/78/1077062578.db2.gz HIYVEXXXPJQKEY-KBRIMQKVSA-N 1 3 367.921 2.673 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(Cl)ccc1OC ZINC001567958055 1077062583 /nfs/dbraw/zinc/06/25/83/1077062583.db2.gz HIYVEXXXPJQKEY-KBRIMQKVSA-N 1 3 367.921 2.673 20 0 FFADHO C[C@H](C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)NC(=O)CN(C)C1CCC1 ZINC001568997231 1077121801 /nfs/dbraw/zinc/12/18/01/1077121801.db2.gz MRVADNYQTTWGCR-LJHODMEESA-N 1 3 365.468 2.614 20 0 FFADHO CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001590141548 1081046459 /nfs/dbraw/zinc/04/64/59/1081046459.db2.gz IKHQDWMYTCIGDL-OBXNSHGQSA-N 1 3 366.513 2.721 20 0 FFADHO CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001590141548 1081046467 /nfs/dbraw/zinc/04/64/67/1081046467.db2.gz IKHQDWMYTCIGDL-OBXNSHGQSA-N 1 3 366.513 2.721 20 0 FFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)[C@H](C)C1 ZINC000093639293 250038110 /nfs/dbraw/zinc/03/81/10/250038110.db2.gz XGPIHVQRTYFBEZ-YLJYHZDGSA-N 1 3 373.541 2.754 20 0 FFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)[C@H](C)C1 ZINC000093639293 250038114 /nfs/dbraw/zinc/03/81/14/250038114.db2.gz XGPIHVQRTYFBEZ-YLJYHZDGSA-N 1 3 373.541 2.754 20 0 FFADHO CN(C)C(=O)COc1ccccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000093688593 250042905 /nfs/dbraw/zinc/04/29/05/250042905.db2.gz GJORNCJSCYMALH-UHFFFAOYSA-N 1 3 361.530 2.707 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000098173249 250073419 /nfs/dbraw/zinc/07/34/19/250073419.db2.gz WUNQJGBYOVVEEC-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000098173249 250073425 /nfs/dbraw/zinc/07/34/25/250073425.db2.gz WUNQJGBYOVVEEC-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000098173249 250073431 /nfs/dbraw/zinc/07/34/31/250073431.db2.gz WUNQJGBYOVVEEC-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000173564254 251208434 /nfs/dbraw/zinc/20/84/34/251208434.db2.gz BIVSCSZJQYCWMF-NRFANRHFSA-N 1 3 368.525 2.828 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000175524675 251224239 /nfs/dbraw/zinc/22/42/39/251224239.db2.gz QMFUHKSJRMVHLC-HXUWFJFHSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000252651918 251311728 /nfs/dbraw/zinc/31/17/28/251311728.db2.gz WMEVDOSPWGHGMJ-QWFCFKBJSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000252651918 251311731 /nfs/dbraw/zinc/31/17/31/251311731.db2.gz WMEVDOSPWGHGMJ-QWFCFKBJSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272562402 252068921 /nfs/dbraw/zinc/06/89/21/252068921.db2.gz GWJMIXOFKNYPLY-UYAOXDASSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1=CCN(C)CC1 ZINC000272703098 252107991 /nfs/dbraw/zinc/10/79/91/252107991.db2.gz GBGDAAYVCJOFMC-LQWHRVPQSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1=CCN(C)CC1 ZINC000272703098 252107993 /nfs/dbraw/zinc/10/79/93/252107993.db2.gz GBGDAAYVCJOFMC-LQWHRVPQSA-N 1 3 370.541 2.847 20 0 FFADHO CCOCCOCCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000276157522 256076818 /nfs/dbraw/zinc/07/68/18/256076818.db2.gz HGNWIGFJFRHUFN-UHFFFAOYSA-N 1 3 363.546 2.702 20 0 FFADHO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000277202246 256171222 /nfs/dbraw/zinc/17/12/22/256171222.db2.gz VVFOOKFVWQFWTO-QGZVFWFLSA-N 1 3 369.513 2.737 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1 ZINC000278348049 256302218 /nfs/dbraw/zinc/30/22/18/256302218.db2.gz ARXYUEBGFBIQSV-SFHVURJKSA-N 1 3 361.530 2.759 20 0 FFADHO C[C@H]1CN(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000278446030 256313723 /nfs/dbraw/zinc/31/37/23/256313723.db2.gz HXUAXQGREZBSPR-FPOVZHCZSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@H]1CN(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000278446030 256313724 /nfs/dbraw/zinc/31/37/24/256313724.db2.gz HXUAXQGREZBSPR-FPOVZHCZSA-N 1 3 373.541 2.516 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000278857626 256355139 /nfs/dbraw/zinc/35/51/39/256355139.db2.gz TYEZEDXMNOIWGT-UHFFFAOYSA-N 1 3 356.514 2.641 20 0 FFADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290475285 257333866 /nfs/dbraw/zinc/33/38/66/257333866.db2.gz NTHRMDBJCSVFMZ-LPHOPBHVSA-N 1 3 360.498 2.791 20 0 FFADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290475285 257333868 /nfs/dbraw/zinc/33/38/68/257333868.db2.gz NTHRMDBJCSVFMZ-LPHOPBHVSA-N 1 3 360.498 2.791 20 0 FFADHO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000290172002 257318727 /nfs/dbraw/zinc/31/87/27/257318727.db2.gz DUUFVPPEFUIVHH-QTUQIOHYSA-N 1 3 352.478 2.981 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000290251556 257322211 /nfs/dbraw/zinc/32/22/11/257322211.db2.gz ABXLVURARNCUJK-HXUWFJFHSA-N 1 3 362.493 2.627 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000299274417 257978797 /nfs/dbraw/zinc/97/87/97/257978797.db2.gz LDPBGFAETQOXIS-QZTJIDSGSA-N 1 3 369.509 2.984 20 0 FFADHO CCN(CC)CC(=O)N1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302072619 258086261 /nfs/dbraw/zinc/08/62/61/258086261.db2.gz HHYQYJKXNPKOOZ-UHFFFAOYSA-N 1 3 354.498 2.842 20 0 FFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000311837574 258115529 /nfs/dbraw/zinc/11/55/29/258115529.db2.gz QBHGHAHBZVVXDC-MNVIUDHYSA-N 1 3 356.510 2.825 20 0 FFADHO C[C@H](CCN1CCC(c2cc[nH]n2)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000330299503 258160953 /nfs/dbraw/zinc/16/09/53/258160953.db2.gz MJALTDVKEKRVAO-MRXNPFEDSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[NH+]1CCC(c2cc[nH]n2)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000330299503 258160954 /nfs/dbraw/zinc/16/09/54/258160954.db2.gz MJALTDVKEKRVAO-MRXNPFEDSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000333240480 258257795 /nfs/dbraw/zinc/25/77/95/258257795.db2.gz DRPXCKROVBNNIZ-JEWRLFTDSA-N 1 3 355.482 2.572 20 0 FFADHO CC(=O)N1CC[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2C1 ZINC000366790135 512188315 /nfs/dbraw/zinc/18/83/15/512188315.db2.gz KBQDEXPIZVHUPO-UTKZUKDTSA-N 1 3 359.514 2.570 20 0 FFADHO CC(=O)N1CC[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2C1 ZINC000366790135 512188316 /nfs/dbraw/zinc/18/83/16/512188316.db2.gz KBQDEXPIZVHUPO-UTKZUKDTSA-N 1 3 359.514 2.570 20 0 FFADHO C[C@@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000369173605 512266617 /nfs/dbraw/zinc/26/66/17/512266617.db2.gz JBFDFAWARBPVSN-GCJKJVERSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@@H](NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000369173605 512266620 /nfs/dbraw/zinc/26/66/20/512266620.db2.gz JBFDFAWARBPVSN-GCJKJVERSA-N 1 3 370.541 2.848 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000066187343 506442645 /nfs/dbraw/zinc/44/26/45/506442645.db2.gz XQJRDXAMUVRYDZ-IBGZPJMESA-N 1 3 360.546 2.675 20 0 FFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCN(C)Cc2ccccc2)o1 ZINC000054761327 506615295 /nfs/dbraw/zinc/61/52/95/506615295.db2.gz AAFRBKJLQLJEET-UHFFFAOYSA-N 1 3 372.513 2.793 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000054761279 506615905 /nfs/dbraw/zinc/61/59/05/506615905.db2.gz COVACYVSPOERNB-UHFFFAOYSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000054761279 506615911 /nfs/dbraw/zinc/61/59/11/506615911.db2.gz COVACYVSPOERNB-UHFFFAOYSA-N 1 3 360.546 2.880 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC[C@H]2CN(C)C)cc1 ZINC000066946533 506706697 /nfs/dbraw/zinc/70/66/97/506706697.db2.gz IKAGIAAEXCJXSA-IBGZPJMESA-N 1 3 361.530 2.964 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043238576 506719646 /nfs/dbraw/zinc/71/96/46/506719646.db2.gz MHCZADIESKGNFL-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000067041852 506735114 /nfs/dbraw/zinc/73/51/14/506735114.db2.gz FREPQQNCYRSMPN-UHFFFAOYSA-N 1 3 358.530 2.907 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000045758382 507014587 /nfs/dbraw/zinc/01/45/87/507014587.db2.gz JRBXCICLUOMCRQ-NHCUHLMSSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000045758382 507014592 /nfs/dbraw/zinc/01/45/92/507014592.db2.gz JRBXCICLUOMCRQ-NHCUHLMSSA-N 1 3 370.541 2.885 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000047885050 507407996 /nfs/dbraw/zinc/40/79/96/507407996.db2.gz HNZUWBKZESSYIS-UHFFFAOYSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CCN(C)CC2)cc1 ZINC000047885493 507408019 /nfs/dbraw/zinc/40/80/19/507408019.db2.gz GSSWRXZHIMRHAX-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCN(C)CC2)cc1 ZINC000047885493 507408024 /nfs/dbraw/zinc/40/80/24/507408024.db2.gz GSSWRXZHIMRHAX-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO CC(C)N1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000069733846 507546323 /nfs/dbraw/zinc/54/63/23/507546323.db2.gz DLNXWOOLGSLRBL-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO Cc1cc(C)c(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000050801707 507713202 /nfs/dbraw/zinc/71/32/02/507713202.db2.gz OAMJTMKQMSAMTQ-UHFFFAOYSA-N 1 3 373.541 2.665 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000051189698 507747974 /nfs/dbraw/zinc/74/79/74/507747974.db2.gz QCUVLAFPOLXMAZ-UHFFFAOYSA-N 1 3 357.502 2.626 20 0 FFADHO COC(=O)c1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cn1C ZINC000377624659 512359913 /nfs/dbraw/zinc/35/99/13/512359913.db2.gz LMZNNQZRVXZMIO-UHFFFAOYSA-N 1 3 371.481 2.575 20 0 FFADHO Cc1ccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759853 507783579 /nfs/dbraw/zinc/78/35/79/507783579.db2.gz KILHRCDAEZMLHW-UHFFFAOYSA-N 1 3 358.530 2.695 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000108539510 507902497 /nfs/dbraw/zinc/90/24/97/507902497.db2.gz GWZSNWSFBGKWFD-GOSISDBHSA-N 1 3 350.551 2.816 20 0 FFADHO C[NH+](C)CCC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000079610331 507982043 /nfs/dbraw/zinc/98/20/43/507982043.db2.gz GBWFCDIDXFFYLS-UHFFFAOYSA-N 1 3 372.557 2.808 20 0 FFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091367500 507982459 /nfs/dbraw/zinc/98/24/59/507982459.db2.gz UPVACRQFNOHVQA-AWEZNQCLSA-N 1 3 363.937 2.903 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000074490746 508027457 /nfs/dbraw/zinc/02/74/57/508027457.db2.gz MGVNDZPMVPJYLR-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000074490746 508027459 /nfs/dbraw/zinc/02/74/59/508027459.db2.gz MGVNDZPMVPJYLR-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000111826552 508126744 /nfs/dbraw/zinc/12/67/44/508126744.db2.gz GGMRXFJKMAYXPI-UHFFFAOYSA-N 1 3 372.557 2.995 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000084435476 508279181 /nfs/dbraw/zinc/27/91/81/508279181.db2.gz VDLHTXDWBSHWQV-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000085388200 508304945 /nfs/dbraw/zinc/30/49/45/508304945.db2.gz PWEWLNOGVLDJNS-XLIONFOSSA-N 1 3 358.530 2.764 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000103296092 508305424 /nfs/dbraw/zinc/30/54/24/508305424.db2.gz LCHJMSPNXMTCII-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO CC[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000103509176 508315982 /nfs/dbraw/zinc/31/59/82/508315982.db2.gz AHPKMUJKSHJMEH-OAQYLSRUSA-N 1 3 372.557 2.807 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)CC2CCN(C)CC2)C1 ZINC000103512394 508317134 /nfs/dbraw/zinc/31/71/34/508317134.db2.gz MQRMJTHLXNIBJE-HDICACEKSA-N 1 3 352.567 2.728 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)CC2CCN(C)CC2)C1 ZINC000103512394 508317137 /nfs/dbraw/zinc/31/71/37/508317137.db2.gz MQRMJTHLXNIBJE-HDICACEKSA-N 1 3 352.567 2.728 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC1 ZINC000086238715 508322726 /nfs/dbraw/zinc/32/27/26/508322726.db2.gz CAMAZXAYVMESTP-UHFFFAOYSA-N 1 3 359.514 2.702 20 0 FFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000114503826 508323328 /nfs/dbraw/zinc/32/33/28/508323328.db2.gz IGWALAXPXRPUBE-GDBMZVCRSA-N 1 3 352.486 2.913 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[N@H+](C)C1CC1 ZINC000105083578 508359685 /nfs/dbraw/zinc/35/96/85/508359685.db2.gz KWJNSBZWXONLOZ-ZBFHGGJFSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[N@@H+](C)C1CC1 ZINC000105083578 508359686 /nfs/dbraw/zinc/35/96/86/508359686.db2.gz KWJNSBZWXONLOZ-ZBFHGGJFSA-N 1 3 350.532 2.667 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccsc1 ZINC000105123973 508362240 /nfs/dbraw/zinc/36/22/40/508362240.db2.gz GVCPMKZMXSOJNU-WMLDXEAASA-N 1 3 352.548 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccsc1 ZINC000105123973 508362243 /nfs/dbraw/zinc/36/22/43/508362243.db2.gz GVCPMKZMXSOJNU-WMLDXEAASA-N 1 3 352.548 2.913 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C1CC1 ZINC000105269848 508367465 /nfs/dbraw/zinc/36/74/65/508367465.db2.gz IFWONPMFXYPLEN-ROUUACIJSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[N@H+](C)C1CC1 ZINC000105264684 508367741 /nfs/dbraw/zinc/36/77/41/508367741.db2.gz RVJGGANZGNVYAK-AWEZNQCLSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[N@@H+](C)C1CC1 ZINC000105264684 508367743 /nfs/dbraw/zinc/36/77/43/508367743.db2.gz RVJGGANZGNVYAK-AWEZNQCLSA-N 1 3 368.472 2.521 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000077774168 508371201 /nfs/dbraw/zinc/37/12/01/508371201.db2.gz ZDIIAHBMFDPJOC-GOSISDBHSA-N 1 3 360.546 2.723 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000077838245 508383326 /nfs/dbraw/zinc/38/33/26/508383326.db2.gz RGDPEXFXEVJVLS-PMACEKPBSA-N 1 3 360.546 2.533 20 0 FFADHO Cc1cc(N2CCC[N@H+](CCO)CC2)c2cc(OC(F)F)ccc2n1 ZINC000156560819 508440464 /nfs/dbraw/zinc/44/04/64/508440464.db2.gz LNJOFTXXJWZTQP-UHFFFAOYSA-N 1 3 351.397 2.649 20 0 FFADHO Cc1cc(N2CCC[N@@H+](CCO)CC2)c2cc(OC(F)F)ccc2n1 ZINC000156560819 508440467 /nfs/dbraw/zinc/44/04/67/508440467.db2.gz LNJOFTXXJWZTQP-UHFFFAOYSA-N 1 3 351.397 2.649 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000115829953 508443866 /nfs/dbraw/zinc/44/38/66/508443866.db2.gz RDKYKCXUCOHSRO-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000115829953 508443869 /nfs/dbraw/zinc/44/38/69/508443869.db2.gz RDKYKCXUCOHSRO-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000134000505 508479595 /nfs/dbraw/zinc/47/95/95/508479595.db2.gz QEGUQQLVWBIHEY-AEFFLSMTSA-N 1 3 369.431 2.651 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000127831328 508507015 /nfs/dbraw/zinc/50/70/15/508507015.db2.gz NUTOYCZCCVZRID-QUCCMNQESA-N 1 3 360.546 2.957 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000127831328 508507017 /nfs/dbraw/zinc/50/70/17/508507017.db2.gz NUTOYCZCCVZRID-QUCCMNQESA-N 1 3 360.546 2.957 20 0 FFADHO CN(C)CCOc1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000122291191 508513033 /nfs/dbraw/zinc/51/30/33/508513033.db2.gz CLKJTAVHOWJHIL-UHFFFAOYSA-N 1 3 359.436 2.743 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000127925703 508522261 /nfs/dbraw/zinc/52/22/61/508522261.db2.gz LQAKZRNKEZMGJC-NHCUHLMSSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000127925703 508522264 /nfs/dbraw/zinc/52/22/64/508522264.db2.gz LQAKZRNKEZMGJC-NHCUHLMSSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000128209168 508563217 /nfs/dbraw/zinc/56/32/17/508563217.db2.gz RERLLLSWRQPGNC-ZFWWWQNUSA-N 1 3 373.419 2.823 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000122653795 508567877 /nfs/dbraw/zinc/56/78/77/508567877.db2.gz CSRGDBADKHCCGA-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128382042 508585242 /nfs/dbraw/zinc/58/52/42/508585242.db2.gz OESNBYOXYBUCHN-SFHVURJKSA-N 1 3 360.546 2.583 20 0 FFADHO CCCN1CCC([NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 ZINC000153554844 508596699 /nfs/dbraw/zinc/59/66/99/508596699.db2.gz BHYSPTUDVAEYMY-UHFFFAOYSA-N 1 3 367.559 2.680 20 0 FFADHO CC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000123363931 508675479 /nfs/dbraw/zinc/67/54/79/508675479.db2.gz YZUBGCKMPPHYGG-FQEVSTJZSA-N 1 3 361.505 2.994 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC[C@@H]21 ZINC000136184964 508677068 /nfs/dbraw/zinc/67/70/68/508677068.db2.gz BBQNIYWKVJWTGL-HKBOAZHASA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC[C@@H]21 ZINC000136184964 508677071 /nfs/dbraw/zinc/67/70/71/508677071.db2.gz BBQNIYWKVJWTGL-HKBOAZHASA-N 1 3 370.541 2.949 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000129501260 508733700 /nfs/dbraw/zinc/73/37/00/508733700.db2.gz OIMCBTYBJGWOKF-WBVHZDCISA-N 1 3 352.548 2.724 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000123881127 508752308 /nfs/dbraw/zinc/75/23/08/508752308.db2.gz UOSMHPMYEYLPQS-PZJWPPBQSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000123881127 508752313 /nfs/dbraw/zinc/75/23/13/508752313.db2.gz UOSMHPMYEYLPQS-PZJWPPBQSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000159008530 508780059 /nfs/dbraw/zinc/78/00/59/508780059.db2.gz REHNSRQEIIZMFK-ICSRJNTNSA-N 1 3 368.562 2.519 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000159008530 508780061 /nfs/dbraw/zinc/78/00/61/508780061.db2.gz REHNSRQEIIZMFK-ICSRJNTNSA-N 1 3 368.562 2.519 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000154558998 508809849 /nfs/dbraw/zinc/80/98/49/508809849.db2.gz ONPJNDLHIXIKKI-VQIMIIECSA-N 1 3 358.530 2.953 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H](C)CN2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000154624866 508821598 /nfs/dbraw/zinc/82/15/98/508821598.db2.gz KWHGLNMUGCEIPN-KRWDZBQOSA-N 1 3 362.518 2.931 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(OCCN(C)C)c1 ZINC000154640786 508824775 /nfs/dbraw/zinc/82/47/75/508824775.db2.gz NILZMDASBMFQCG-KRWDZBQOSA-N 1 3 360.502 2.541 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(OCCN(C)C)c1 ZINC000154640786 508824777 /nfs/dbraw/zinc/82/47/77/508824777.db2.gz NILZMDASBMFQCG-KRWDZBQOSA-N 1 3 360.502 2.541 20 0 FFADHO Cc1cc(Br)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119766671 508859213 /nfs/dbraw/zinc/85/92/13/508859213.db2.gz KHDAJHNBPMDLGV-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO COC[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124703865 508872643 /nfs/dbraw/zinc/87/26/43/508872643.db2.gz WXMJXYQCHRGGFL-OAQYLSRUSA-N 1 3 359.558 2.784 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000131417643 508929116 /nfs/dbraw/zinc/92/91/16/508929116.db2.gz KHXIZAGPFCKAOO-QGZVFWFLSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1[C@@H](C)CC[C@@H]1C ZINC000125214393 508949491 /nfs/dbraw/zinc/94/94/91/508949491.db2.gz LNZIPIAUOCGAOO-RYLXDESZSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1[C@@H](C)CC[C@@H]1C ZINC000125214393 508949495 /nfs/dbraw/zinc/94/94/95/508949495.db2.gz LNZIPIAUOCGAOO-RYLXDESZSA-N 1 3 373.541 2.521 20 0 FFADHO CC[N@H+](CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(C)C ZINC000132775469 509073743 /nfs/dbraw/zinc/07/37/43/509073743.db2.gz FUZUIOSTUTXGDZ-QGZVFWFLSA-N 1 3 361.534 2.637 20 0 FFADHO CC[N@@H+](CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(C)C ZINC000132775469 509073746 /nfs/dbraw/zinc/07/37/46/509073746.db2.gz FUZUIOSTUTXGDZ-QGZVFWFLSA-N 1 3 361.534 2.637 20 0 FFADHO Cc1n[nH]cc1CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000132914839 509091347 /nfs/dbraw/zinc/09/13/47/509091347.db2.gz KOJXXSCWLAFZKK-UHFFFAOYSA-N 1 3 355.530 2.971 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126633392 509105667 /nfs/dbraw/zinc/10/56/67/509105667.db2.gz REQIOLLGPGECAG-PXNSSMCTSA-N 1 3 371.525 2.716 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126633392 509105671 /nfs/dbraw/zinc/10/56/71/509105671.db2.gz REQIOLLGPGECAG-PXNSSMCTSA-N 1 3 371.525 2.716 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COc3cccc4ccccc43)CC[C@H]21 ZINC000247882101 509186343 /nfs/dbraw/zinc/18/63/43/509186343.db2.gz BVXTYALWCJWXOU-SVFBPWRDSA-N 1 3 354.494 2.996 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc4ccccc43)CC[C@H]21 ZINC000247882101 509186349 /nfs/dbraw/zinc/18/63/49/509186349.db2.gz BVXTYALWCJWXOU-SVFBPWRDSA-N 1 3 354.494 2.996 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000175871859 509189849 /nfs/dbraw/zinc/18/98/49/509189849.db2.gz SCAKDVPGZSQDRH-IAGOWNOFSA-N 1 3 368.591 2.520 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000175871844 509190539 /nfs/dbraw/zinc/19/05/39/509190539.db2.gz SCAKDVPGZSQDRH-IRXDYDNUSA-N 1 3 368.591 2.520 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000266794740 509197165 /nfs/dbraw/zinc/19/71/65/509197165.db2.gz ABRVRSMJQXMIML-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175905018 509208941 /nfs/dbraw/zinc/20/89/41/509208941.db2.gz IATMGBFTMORJKX-IBGZPJMESA-N 1 3 374.529 2.891 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175905018 509208945 /nfs/dbraw/zinc/20/89/45/509208945.db2.gz IATMGBFTMORJKX-IBGZPJMESA-N 1 3 374.529 2.891 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195606741 509211280 /nfs/dbraw/zinc/21/12/80/509211280.db2.gz LZACYIWGXMRQDL-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000195606745 509211296 /nfs/dbraw/zinc/21/12/96/509211296.db2.gz LZACYIWGXMRQDL-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000179008103 509223388 /nfs/dbraw/zinc/22/33/88/509223388.db2.gz HPELTGWWCDPGTO-SJLPKXTDSA-N 1 3 369.431 2.509 20 0 FFADHO C[C@H](NCCNC(=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000162505315 509238662 /nfs/dbraw/zinc/23/86/62/509238662.db2.gz MSXGLWVKIBNPLE-KRWDZBQOSA-N 1 3 355.482 2.708 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000176040044 509288938 /nfs/dbraw/zinc/28/89/38/509288938.db2.gz JYONSZQBPUIUMK-KSZLIROESA-N 1 3 373.541 2.521 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000176040044 509288946 /nfs/dbraw/zinc/28/89/46/509288946.db2.gz JYONSZQBPUIUMK-KSZLIROESA-N 1 3 373.541 2.521 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248392903 509290412 /nfs/dbraw/zinc/29/04/12/509290412.db2.gz DOGSXPXSSXJDIM-CWKRKGSWSA-N 1 3 370.585 2.513 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661862 509291466 /nfs/dbraw/zinc/29/14/66/509291466.db2.gz QMZUASLJRPJMLD-JZXOWHBKSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661862 509291468 /nfs/dbraw/zinc/29/14/68/509291468.db2.gz QMZUASLJRPJMLD-JZXOWHBKSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000185661862 509291472 /nfs/dbraw/zinc/29/14/72/509291472.db2.gz QMZUASLJRPJMLD-JZXOWHBKSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@H](O)COCc1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185676436 509298446 /nfs/dbraw/zinc/29/84/46/509298446.db2.gz NKOBTVMCRUGZEQ-BQFCYCMXSA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H](NC[C@H](O)COCc1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185676436 509298450 /nfs/dbraw/zinc/29/84/50/509298450.db2.gz NKOBTVMCRUGZEQ-BQFCYCMXSA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COCc1cccs1)[C@H]1CCCN(C2CCC2)C1 ZINC000185676436 509298461 /nfs/dbraw/zinc/29/84/61/509298461.db2.gz NKOBTVMCRUGZEQ-BQFCYCMXSA-N 1 3 352.544 2.868 20 0 FFADHO OCC[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000248406221 509301049 /nfs/dbraw/zinc/30/10/49/509301049.db2.gz SDAUPUPZPKZAAE-FNAHDJPLSA-N 1 3 358.526 2.666 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(CO)c1 ZINC000248440741 509322001 /nfs/dbraw/zinc/32/20/01/509322001.db2.gz JQWZWOFGBFNEFV-VGSWGCGISA-N 1 3 354.494 2.986 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(CO)c1 ZINC000248440741 509322008 /nfs/dbraw/zinc/32/20/08/509322008.db2.gz JQWZWOFGBFNEFV-VGSWGCGISA-N 1 3 354.494 2.986 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(CO)c1 ZINC000248440739 509322509 /nfs/dbraw/zinc/32/25/09/509322509.db2.gz JQWZWOFGBFNEFV-JTSKRJEESA-N 1 3 354.494 2.986 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(CO)c1 ZINC000248440739 509322518 /nfs/dbraw/zinc/32/25/18/509322518.db2.gz JQWZWOFGBFNEFV-JTSKRJEESA-N 1 3 354.494 2.986 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N(C)CC[NH+](C)C)c2cccs2)CC1 ZINC000176150594 509349777 /nfs/dbraw/zinc/34/97/77/509349777.db2.gz GJGQLBOGYUGNBC-INIZCTEOSA-N 1 3 352.548 2.724 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189040349 509384336 /nfs/dbraw/zinc/38/43/36/509384336.db2.gz LHFQZTXVEMOJSI-UHFFFAOYSA-N 1 3 373.520 2.578 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000192230448 509417562 /nfs/dbraw/zinc/41/75/62/509417562.db2.gz GSPRQRXGXVELRQ-YOUFYPILSA-N 1 3 373.541 2.655 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000192230448 509417566 /nfs/dbraw/zinc/41/75/66/509417566.db2.gz GSPRQRXGXVELRQ-YOUFYPILSA-N 1 3 373.541 2.655 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248777031 509479558 /nfs/dbraw/zinc/47/95/58/509479558.db2.gz ZBXDYRIQSUROMN-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO C[C@@H]1CCC[C@H](C)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176382441 509479613 /nfs/dbraw/zinc/47/96/13/509479613.db2.gz AALUQDOIQPKCEF-DLBZAZTESA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](CN1CCC[C@@H](c2ncc[nH]2)C1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267457895 509494987 /nfs/dbraw/zinc/49/49/87/509494987.db2.gz UBGIMPWHFPGWAH-NNZMDNLPSA-N 1 3 356.518 2.828 20 0 FFADHO C[C@H](CN1CCC[C@@H](c2ncc[nH]2)C1)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267457895 509494990 /nfs/dbraw/zinc/49/49/90/509494990.db2.gz UBGIMPWHFPGWAH-NNZMDNLPSA-N 1 3 356.518 2.828 20 0 FFADHO C[C@@H](CN1CCC[C@H](c2ncc[nH]2)C1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267457895 509494996 /nfs/dbraw/zinc/49/49/96/509494996.db2.gz UBGIMPWHFPGWAH-NNZMDNLPSA-N 1 3 356.518 2.828 20 0 FFADHO C[C@@H](CN1CCC[C@H](c2ncc[nH]2)C1)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267457895 509495001 /nfs/dbraw/zinc/49/50/01/509495001.db2.gz UBGIMPWHFPGWAH-NNZMDNLPSA-N 1 3 356.518 2.828 20 0 FFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000236765784 509499519 /nfs/dbraw/zinc/49/95/19/509499519.db2.gz RDYVRAITPGZLBK-FQEVSTJZSA-N 1 3 373.541 2.961 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000267469371 509502083 /nfs/dbraw/zinc/50/20/83/509502083.db2.gz XGMQJPNAKMJVNP-SESVDKBCSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000267469371 509502085 /nfs/dbraw/zinc/50/20/85/509502085.db2.gz XGMQJPNAKMJVNP-SESVDKBCSA-N 1 3 372.557 2.880 20 0 FFADHO CCN(CCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000176457490 509522487 /nfs/dbraw/zinc/52/24/87/509522487.db2.gz IGDSPFXJNUDRJI-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CCN(CCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000176457490 509522496 /nfs/dbraw/zinc/52/24/96/509522496.db2.gz IGDSPFXJNUDRJI-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CN(C)[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)Cc1ccccc1 ZINC000237133030 509579199 /nfs/dbraw/zinc/57/91/99/509579199.db2.gz PXTXQLWUZKEXME-OAQYLSRUSA-N 1 3 365.521 2.597 20 0 FFADHO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173415164 509584672 /nfs/dbraw/zinc/58/46/72/509584672.db2.gz JBQGQJSHXQEERT-IAGOWNOFSA-N 1 3 360.527 2.541 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173415164 509584676 /nfs/dbraw/zinc/58/46/76/509584676.db2.gz JBQGQJSHXQEERT-IAGOWNOFSA-N 1 3 360.527 2.541 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000249289074 509649230 /nfs/dbraw/zinc/64/92/30/509649230.db2.gz MBYZQHMIPIVDGB-NSHGMRRFSA-N 1 3 367.578 2.893 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000249436284 509680245 /nfs/dbraw/zinc/68/02/45/509680245.db2.gz SHJRTICYYSBZSZ-WAPOTWQKSA-N 1 3 367.578 2.891 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237728005 509720790 /nfs/dbraw/zinc/72/07/90/509720790.db2.gz LJEWDMZFJMIKLF-NRFANRHFSA-N 1 3 351.494 2.818 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000173781698 509773495 /nfs/dbraw/zinc/77/34/95/509773495.db2.gz PEWHBBLDHUAHHL-YLJYHZDGSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000173781728 509774300 /nfs/dbraw/zinc/77/43/00/509774300.db2.gz PEWHBBLDHUAHHL-XLIONFOSSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186590984 509789070 /nfs/dbraw/zinc/78/90/70/509789070.db2.gz JMXWWWFLJHSQIS-SWUCNREESA-N 1 3 370.585 2.513 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000189861256 509794792 /nfs/dbraw/zinc/79/47/92/509794792.db2.gz DADDJWCKUUFKID-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CC1 ZINC000251667670 509814780 /nfs/dbraw/zinc/81/47/80/509814780.db2.gz LOOXEOWYAJYFLG-NHCUHLMSSA-N 1 3 368.525 2.553 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CC1 ZINC000251667670 509814786 /nfs/dbraw/zinc/81/47/86/509814786.db2.gz LOOXEOWYAJYFLG-NHCUHLMSSA-N 1 3 368.525 2.553 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCCC[C@H]2CC)[C@@H](C)C1 ZINC000187014836 510006171 /nfs/dbraw/zinc/00/61/71/510006171.db2.gz BHAKODCUVJFHGW-OTWHNJEPSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1ccc2c(CN(C)CCN(C)C3CC[NH+](C)CC3)cc(=O)oc2c1 ZINC000177372719 510019732 /nfs/dbraw/zinc/01/97/32/510019732.db2.gz BANPBEILTWNZTK-UHFFFAOYSA-N 1 3 357.498 2.559 20 0 FFADHO COCCN1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000265496982 510084943 /nfs/dbraw/zinc/08/49/43/510084943.db2.gz OMULUNYDERKREH-HXUWFJFHSA-N 1 3 374.529 2.557 20 0 FFADHO C[C@H]1CN(CCC2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000177491594 510092859 /nfs/dbraw/zinc/09/28/59/510092859.db2.gz CJBPXIIIGVOULG-CNNODRBYSA-N 1 3 360.542 2.801 20 0 FFADHO CNC(=O)c1ccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000177495342 510096071 /nfs/dbraw/zinc/09/60/71/510096071.db2.gz WATFQYAOXAHLHS-ROUUACIJSA-N 1 3 373.541 2.758 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC(N)=O)c1 ZINC000268901371 510127036 /nfs/dbraw/zinc/12/70/36/510127036.db2.gz CPOWVDCYGKKOJH-UWJYYQICSA-N 1 3 367.493 2.551 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC(N)=O)c1 ZINC000268901371 510127043 /nfs/dbraw/zinc/12/70/43/510127043.db2.gz CPOWVDCYGKKOJH-UWJYYQICSA-N 1 3 367.493 2.551 20 0 FFADHO COc1ccc2cc(CN3CCCC[C@H]3CNC(=O)CC[NH3+])ccc2c1 ZINC000261949832 510127529 /nfs/dbraw/zinc/12/75/29/510127529.db2.gz FTTXXIRDPMOULI-IBGZPJMESA-N 1 3 355.482 2.668 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2cccnc2)c1 ZINC000261969959 510132540 /nfs/dbraw/zinc/13/25/40/510132540.db2.gz ICMOTVWEWDOXSN-FQEVSTJZSA-N 1 3 352.482 2.568 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261970107 510132756 /nfs/dbraw/zinc/13/27/56/510132756.db2.gz QFBFFIGYYMCQQI-TZIWHRDSSA-N 1 3 371.525 2.556 20 0 FFADHO C[C@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)Cn1ccnc1 ZINC000177568429 510136817 /nfs/dbraw/zinc/13/68/17/510136817.db2.gz FWQJCBFXVOKXIM-GOSISDBHSA-N 1 3 355.530 2.839 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc(OCCN(C)C)c1 ZINC000268952033 510154751 /nfs/dbraw/zinc/15/47/51/510154751.db2.gz VSETWUHNIAZCHC-QXAKKESOSA-N 1 3 361.530 2.925 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CN1C1CC1 ZINC000177605791 510157459 /nfs/dbraw/zinc/15/74/59/510157459.db2.gz RHCUWBBCLKXCAI-LPHOPBHVSA-N 1 3 356.514 2.707 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CN1Cc1ccccc1 ZINC000187300238 510181601 /nfs/dbraw/zinc/18/16/01/510181601.db2.gz MDXSWUANEPLPLB-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000174661572 510235753 /nfs/dbraw/zinc/23/57/53/510235753.db2.gz RETKDJGVWJLVNC-JKSUJKDBSA-N 1 3 367.563 2.570 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000174661572 510235759 /nfs/dbraw/zinc/23/57/59/510235759.db2.gz RETKDJGVWJLVNC-JKSUJKDBSA-N 1 3 367.563 2.570 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246086759 510283513 /nfs/dbraw/zinc/28/35/13/510283513.db2.gz IINUXEWWSZHEAC-UIFIKXQLSA-N 1 3 373.541 2.559 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000187482504 510293048 /nfs/dbraw/zinc/29/30/48/510293048.db2.gz GUXYXHIJJVPSNW-LEWJYISDSA-N 1 3 370.541 2.799 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000187482504 510293054 /nfs/dbraw/zinc/29/30/54/510293054.db2.gz GUXYXHIJJVPSNW-LEWJYISDSA-N 1 3 370.541 2.799 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H]3CN3CCCC3)ccc21 ZINC000269235471 510302749 /nfs/dbraw/zinc/30/27/49/510302749.db2.gz GSABJLRLOARLFZ-LJQANCHMSA-N 1 3 354.498 2.691 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000269275040 510320125 /nfs/dbraw/zinc/32/01/25/510320125.db2.gz WGTWPDIIHYNTST-DYESRHJHSA-N 1 3 369.509 2.622 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000246157376 510326786 /nfs/dbraw/zinc/32/67/86/510326786.db2.gz DPHIQVQXMJMXDZ-YLJYHZDGSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000262623045 510340306 /nfs/dbraw/zinc/34/03/06/510340306.db2.gz FKMVHHRNHHHEFE-HKUYNNGSSA-N 1 3 357.542 2.965 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)Cc1ccccc1 ZINC000262652195 510352973 /nfs/dbraw/zinc/35/29/73/510352973.db2.gz RNWNRBDHNABKJQ-FCHUYYIVSA-N 1 3 365.521 2.927 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)Cc1ccccc1 ZINC000262652195 510352978 /nfs/dbraw/zinc/35/29/78/510352978.db2.gz RNWNRBDHNABKJQ-FCHUYYIVSA-N 1 3 365.521 2.927 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000262664720 510358444 /nfs/dbraw/zinc/35/84/44/510358444.db2.gz IPAHJRYJAIIOSF-HNJRGHQBSA-N 1 3 361.530 2.576 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000262664720 510358450 /nfs/dbraw/zinc/35/84/50/510358450.db2.gz IPAHJRYJAIIOSF-HNJRGHQBSA-N 1 3 361.530 2.576 20 0 FFADHO C[C@@H](NCCNC(=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178021016 510380798 /nfs/dbraw/zinc/38/07/98/510380798.db2.gz WOYSFLPOUYEZSF-QGZVFWFLSA-N 1 3 355.482 2.708 20 0 FFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178040178 510395488 /nfs/dbraw/zinc/39/54/88/510395488.db2.gz USMOZHXBUCAHNL-GBESFXJTSA-N 1 3 361.530 2.907 20 0 FFADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1(C)C ZINC000262757834 510399785 /nfs/dbraw/zinc/39/97/85/510399785.db2.gz CCWOLYQICUZSSW-GMBSWORKSA-N 1 3 365.543 2.534 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000246275089 510401918 /nfs/dbraw/zinc/40/19/18/510401918.db2.gz JJPIEIJOJBMZDH-YZGWKJHDSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000246275089 510401927 /nfs/dbraw/zinc/40/19/27/510401927.db2.gz JJPIEIJOJBMZDH-YZGWKJHDSA-N 1 3 358.530 2.805 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000266110012 510414645 /nfs/dbraw/zinc/41/46/45/510414645.db2.gz USQLSRJLWADNFZ-FXAWDEMLSA-N 1 3 361.530 2.819 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246406643 510471536 /nfs/dbraw/zinc/47/15/36/510471536.db2.gz LLZLMEJKXFGWCE-LFGUQSLTSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246406643 510471543 /nfs/dbraw/zinc/47/15/43/510471543.db2.gz LLZLMEJKXFGWCE-LFGUQSLTSA-N 1 3 370.541 2.964 20 0 FFADHO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000191052601 510482789 /nfs/dbraw/zinc/48/27/89/510482789.db2.gz IEBDVYZAWZXMOQ-RAJLDSNDSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000191052601 510482791 /nfs/dbraw/zinc/48/27/91/510482791.db2.gz IEBDVYZAWZXMOQ-RAJLDSNDSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000191052601 510482797 /nfs/dbraw/zinc/48/27/97/510482797.db2.gz IEBDVYZAWZXMOQ-RAJLDSNDSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000191052549 510483047 /nfs/dbraw/zinc/48/30/47/510483047.db2.gz IEBDVYZAWZXMOQ-LWLAFGSWSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000191052549 510483052 /nfs/dbraw/zinc/48/30/52/510483052.db2.gz IEBDVYZAWZXMOQ-LWLAFGSWSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000191052549 510483056 /nfs/dbraw/zinc/48/30/56/510483056.db2.gz IEBDVYZAWZXMOQ-LWLAFGSWSA-N 1 3 366.546 2.713 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OC4CCC4)cc3)CC2)CC1 ZINC000266251673 510483184 /nfs/dbraw/zinc/48/31/84/510483184.db2.gz AZATUHCBELCVTP-UHFFFAOYSA-N 1 3 371.525 2.906 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(C4CC4)cc3)CC2)CC1 ZINC000188021507 510553826 /nfs/dbraw/zinc/55/38/26/510553826.db2.gz KLSJYOQLHOQFKN-UHFFFAOYSA-N 1 3 370.541 2.922 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000246560177 510557517 /nfs/dbraw/zinc/55/75/17/510557517.db2.gz XUWLEGNDCKJLMY-YZGWKJHDSA-N 1 3 360.546 2.969 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000246560177 510557525 /nfs/dbraw/zinc/55/75/25/510557525.db2.gz XUWLEGNDCKJLMY-YZGWKJHDSA-N 1 3 360.546 2.969 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCCC3CC[NH+](C)CC3)c2)CC1 ZINC000184913850 510580062 /nfs/dbraw/zinc/58/00/62/510580062.db2.gz BJZKLQRPCQTKMU-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cc2)CC1 ZINC000263220512 510618035 /nfs/dbraw/zinc/61/80/35/510618035.db2.gz LUGFVXIZHCFCKY-TZIWHRDSSA-N 1 3 358.530 2.670 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000191399482 510640983 /nfs/dbraw/zinc/64/09/83/510640983.db2.gz HCZQMJODWRARMZ-UHFFFAOYSA-N 1 3 372.557 2.753 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C12CCCC2 ZINC000181975594 510686984 /nfs/dbraw/zinc/68/69/84/510686984.db2.gz UTDVCMLNOCYHKN-WOJBJXKFSA-N 1 3 373.541 2.805 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246831635 510698608 /nfs/dbraw/zinc/69/86/08/510698608.db2.gz BRHIFXUQQOFFCM-UNMCSNQZSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H](N2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175646809 510710201 /nfs/dbraw/zinc/71/02/01/510710201.db2.gz YWPQWMAABVWEBC-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H](N2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646809 510710210 /nfs/dbraw/zinc/71/02/10/510710210.db2.gz YWPQWMAABVWEBC-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175665099 510722066 /nfs/dbraw/zinc/72/20/66/510722066.db2.gz HMTZCNQZBJXQET-FQEVSTJZSA-N 1 3 372.557 2.866 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000266675925 510722672 /nfs/dbraw/zinc/72/26/72/510722672.db2.gz PFEFYNAVJXADFA-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000266675925 510722680 /nfs/dbraw/zinc/72/26/80/510722680.db2.gz PFEFYNAVJXADFA-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000246889976 510729113 /nfs/dbraw/zinc/72/91/13/510729113.db2.gz FJGIFIDVGYULBO-CZAYHTPWSA-N 1 3 358.574 2.684 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)CC1 ZINC000178873641 510814513 /nfs/dbraw/zinc/81/45/13/510814513.db2.gz BRZHQAHCKAJAAH-UHFFFAOYSA-N 1 3 352.482 2.535 20 0 FFADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182241752 510830160 /nfs/dbraw/zinc/83/01/60/510830160.db2.gz JEFPDLDZVDHWTO-MOPGFXCFSA-N 1 3 352.544 2.974 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247173631 510848585 /nfs/dbraw/zinc/84/85/85/510848585.db2.gz JVADHDUQMJWYKC-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247173631 510848587 /nfs/dbraw/zinc/84/85/87/510848587.db2.gz JVADHDUQMJWYKC-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO CN1CCCN(CCC[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000182327716 510850908 /nfs/dbraw/zinc/85/09/08/510850908.db2.gz WTJRBCADBRWDFW-RTWAWAEBSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293899093 510890503 /nfs/dbraw/zinc/89/05/03/510890503.db2.gz WJDFQPURWUQZTL-GOSISDBHSA-N 1 3 374.529 2.712 20 0 FFADHO C[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)N(C)Cc1ccccc1 ZINC000360356104 510900729 /nfs/dbraw/zinc/90/07/29/510900729.db2.gz SXOJSKUZRPOOLD-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000285507150 510934482 /nfs/dbraw/zinc/93/44/82/510934482.db2.gz AVFZMTDIMPCLPF-XFQXTVEOSA-N 1 3 361.530 2.971 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282402246 510963429 /nfs/dbraw/zinc/96/34/29/510963429.db2.gz RTCHCVFHOMGZLH-QGZVFWFLSA-N 1 3 355.530 2.857 20 0 FFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000282471462 510991617 /nfs/dbraw/zinc/99/16/17/510991617.db2.gz WHPZXXNGKMXKKC-MRXNPFEDSA-N 1 3 373.545 2.647 20 0 FFADHO CCOc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(Cl)c1[O-] ZINC000297594673 511001875 /nfs/dbraw/zinc/00/18/75/511001875.db2.gz FKGOKDISEAERQK-CQSZACIVSA-N 1 3 370.921 2.969 20 0 FFADHO CCOc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(Cl)c1[O-] ZINC000297594673 511001878 /nfs/dbraw/zinc/00/18/78/511001878.db2.gz FKGOKDISEAERQK-CQSZACIVSA-N 1 3 370.921 2.969 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000297648230 511022038 /nfs/dbraw/zinc/02/20/38/511022038.db2.gz ZOHROKQTLVTZBW-SFHVURJKSA-N 1 3 362.543 2.572 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000297648230 511022041 /nfs/dbraw/zinc/02/20/41/511022041.db2.gz ZOHROKQTLVTZBW-SFHVURJKSA-N 1 3 362.543 2.572 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000361461541 511054208 /nfs/dbraw/zinc/05/42/08/511054208.db2.gz LEIUQGYOAFBDBP-IAGOWNOFSA-N 1 3 360.502 2.684 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000361461541 511054211 /nfs/dbraw/zinc/05/42/11/511054211.db2.gz LEIUQGYOAFBDBP-IAGOWNOFSA-N 1 3 360.502 2.684 20 0 FFADHO C[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000298117454 511180734 /nfs/dbraw/zinc/18/07/34/511180734.db2.gz XVHXEHJORGNEHE-OXJNMPFZSA-N 1 3 358.530 2.994 20 0 FFADHO O=C1CCCN1Cc1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298447913 511288283 /nfs/dbraw/zinc/28/82/83/511288283.db2.gz NUZITLPONXLTAF-UHFFFAOYSA-N 1 3 364.493 2.963 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000298524298 511315644 /nfs/dbraw/zinc/31/56/44/511315644.db2.gz RSBFFKOWBYRJLC-MRXNPFEDSA-N 1 3 360.521 2.855 20 0 FFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000298524298 511315652 /nfs/dbraw/zinc/31/56/52/511315652.db2.gz RSBFFKOWBYRJLC-MRXNPFEDSA-N 1 3 360.521 2.855 20 0 FFADHO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000298524295 511315728 /nfs/dbraw/zinc/31/57/28/511315728.db2.gz RSBFFKOWBYRJLC-INIZCTEOSA-N 1 3 360.521 2.855 20 0 FFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000298524295 511315734 /nfs/dbraw/zinc/31/57/34/511315734.db2.gz RSBFFKOWBYRJLC-INIZCTEOSA-N 1 3 360.521 2.855 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000271808960 511332313 /nfs/dbraw/zinc/33/23/13/511332313.db2.gz YNHPVTMKULPWMR-MRXNPFEDSA-N 1 3 353.304 2.947 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)N2CCCC2)cc1 ZINC000333725418 511336723 /nfs/dbraw/zinc/33/67/23/511336723.db2.gz HBLDPZNEXDEROV-BQJUDKOJSA-N 1 3 370.541 2.901 20 0 FFADHO [NH3+]C1(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CCCCC1 ZINC000333887158 511382777 /nfs/dbraw/zinc/38/27/77/511382777.db2.gz XKDGGCWDTPNXSO-NRFANRHFSA-N 1 3 370.541 2.956 20 0 FFADHO C[NH+]1CCC(CC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CC1 ZINC000292086335 511459771 /nfs/dbraw/zinc/45/97/71/511459771.db2.gz IFRZBYYBWLCAQH-UHFFFAOYSA-N 1 3 359.514 2.561 20 0 FFADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000295837278 511530387 /nfs/dbraw/zinc/53/03/87/511530387.db2.gz DBDDEDRAUCIMPW-CCNLRDMRSA-N 1 3 363.527 2.502 20 0 FFADHO COc1cccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000299478252 511651921 /nfs/dbraw/zinc/65/19/21/511651921.db2.gz AAVPPSNXLLILHX-MRXNPFEDSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000303017158 511723878 /nfs/dbraw/zinc/72/38/78/511723878.db2.gz QDCRBGCONVKAJT-QUCCMNQESA-N 1 3 374.573 2.969 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000303017158 511723884 /nfs/dbraw/zinc/72/38/84/511723884.db2.gz QDCRBGCONVKAJT-QUCCMNQESA-N 1 3 374.573 2.969 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000303249773 511729980 /nfs/dbraw/zinc/72/99/80/511729980.db2.gz MUPHPFNBTQYBJX-PXNSSMCTSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000303249773 511729982 /nfs/dbraw/zinc/72/99/82/511729982.db2.gz MUPHPFNBTQYBJX-PXNSSMCTSA-N 1 3 358.530 2.914 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000311823872 511780790 /nfs/dbraw/zinc/78/07/90/511780790.db2.gz QVCZEYHXEMZLNJ-FBBABVLZSA-N 1 3 351.494 2.961 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000311823872 511780797 /nfs/dbraw/zinc/78/07/97/511780797.db2.gz QVCZEYHXEMZLNJ-FBBABVLZSA-N 1 3 351.494 2.961 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000312066056 511782053 /nfs/dbraw/zinc/78/20/53/511782053.db2.gz DFQQKCPXJLGZGF-OAQYLSRUSA-N 1 3 363.505 2.699 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364082600 511948797 /nfs/dbraw/zinc/94/87/97/511948797.db2.gz FVQNKHDBVCGOER-DFQSSKMNSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364082600 511948801 /nfs/dbraw/zinc/94/88/01/511948801.db2.gz FVQNKHDBVCGOER-DFQSSKMNSA-N 1 3 359.489 2.781 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000293638396 512035669 /nfs/dbraw/zinc/03/56/69/512035669.db2.gz ZSCXAZHCYADYMZ-KAGYGMCKSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000293638396 512035674 /nfs/dbraw/zinc/03/56/74/512035674.db2.gz ZSCXAZHCYADYMZ-KAGYGMCKSA-N 1 3 370.541 2.777 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369576640 512489370 /nfs/dbraw/zinc/48/93/70/512489370.db2.gz MCWNOBQDWJJWFZ-PMACEKPBSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369576640 512489375 /nfs/dbraw/zinc/48/93/75/512489375.db2.gz MCWNOBQDWJJWFZ-PMACEKPBSA-N 1 3 356.514 2.703 20 0 FFADHO C[C@H](CN1CCOCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367677663 512611454 /nfs/dbraw/zinc/61/14/54/512611454.db2.gz FXCWALJWHPLDOA-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H](CN1CCOCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367677663 512611456 /nfs/dbraw/zinc/61/14/56/512611456.db2.gz FXCWALJWHPLDOA-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[C@@H]2CCC[C@@H]21 ZINC000367746735 512644949 /nfs/dbraw/zinc/64/49/49/512644949.db2.gz OVSYUZNLFKFXCQ-TUFLPTIASA-N 1 3 371.525 2.558 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000378337399 512701410 /nfs/dbraw/zinc/70/14/10/512701410.db2.gz VHQSGVHITVNHMS-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000378337399 512701414 /nfs/dbraw/zinc/70/14/14/512701414.db2.gz VHQSGVHITVNHMS-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000369987248 512713976 /nfs/dbraw/zinc/71/39/76/512713976.db2.gz RBRGCIXQGAEQBY-RTBURBONSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000369987248 512713979 /nfs/dbraw/zinc/71/39/79/512713979.db2.gz RBRGCIXQGAEQBY-RTBURBONSA-N 1 3 370.541 2.943 20 0 FFADHO CN(C)CCOc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000369990718 512715125 /nfs/dbraw/zinc/71/51/25/512715125.db2.gz IQTJDQHIEQTFQP-IBGZPJMESA-N 1 3 368.481 2.765 20 0 FFADHO C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376311983 512761939 /nfs/dbraw/zinc/76/19/39/512761939.db2.gz QXAOBJCRJNUUNT-TYPHKJRUSA-N 1 3 367.541 2.889 20 0 FFADHO C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376311983 512761941 /nfs/dbraw/zinc/76/19/41/512761941.db2.gz QXAOBJCRJNUUNT-TYPHKJRUSA-N 1 3 367.541 2.889 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCCCN3)cc2F)CC1 ZINC000376322495 512766978 /nfs/dbraw/zinc/76/69/78/512766978.db2.gz DNGQVJRXWGZRGH-GOSISDBHSA-N 1 3 362.493 2.827 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2OC)CC1 ZINC000411724396 512780491 /nfs/dbraw/zinc/78/04/91/512780491.db2.gz DFEMWSTWCASCFY-NRSPTQNISA-N 1 3 373.541 2.528 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378530272 512809901 /nfs/dbraw/zinc/80/99/01/512809901.db2.gz QINXJXQKGOPBAF-MJUUVYJYSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378530272 512809903 /nfs/dbraw/zinc/80/99/03/512809903.db2.gz QINXJXQKGOPBAF-MJUUVYJYSA-N 1 3 370.541 2.633 20 0 FFADHO CSc1ccc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000372329978 512818445 /nfs/dbraw/zinc/81/84/45/512818445.db2.gz FBXUHUKGQKBLPN-FXAWDEMLSA-N 1 3 363.571 2.745 20 0 FFADHO CSc1ccc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000372329978 512818451 /nfs/dbraw/zinc/81/84/51/512818451.db2.gz FBXUHUKGQKBLPN-FXAWDEMLSA-N 1 3 363.571 2.745 20 0 FFADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000388344660 512894481 /nfs/dbraw/zinc/89/44/81/512894481.db2.gz YUEFEPXYTMEOOE-NHCUHLMSSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388344660 512894486 /nfs/dbraw/zinc/89/44/86/512894486.db2.gz YUEFEPXYTMEOOE-NHCUHLMSSA-N 1 3 354.494 2.846 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398100876 512953204 /nfs/dbraw/zinc/95/32/04/512953204.db2.gz ZDRQKQLXESHIRN-FXAWDEMLSA-N 1 3 351.494 2.841 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)COc1ccccc1 ZINC000398111275 512955156 /nfs/dbraw/zinc/95/51/56/512955156.db2.gz DDYAJXGMEPRDRK-CBQOVEMMSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)COc1ccccc1 ZINC000398111275 512955161 /nfs/dbraw/zinc/95/51/61/512955161.db2.gz DDYAJXGMEPRDRK-CBQOVEMMSA-N 1 3 354.494 2.927 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370633133 513024798 /nfs/dbraw/zinc/02/47/98/513024798.db2.gz FSHXOLHESTYJJQ-XLIONFOSSA-N 1 3 367.541 3.000 20 0 FFADHO COCc1cc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)ccc1OC ZINC000370635049 513025838 /nfs/dbraw/zinc/02/58/38/513025838.db2.gz NUETYFBWVKADEK-APWZRJJASA-N 1 3 361.530 2.661 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@@H]2CCC[C@H]21 ZINC000368616176 513027398 /nfs/dbraw/zinc/02/73/98/513027398.db2.gz SAKWBKLIRREKPT-HAGHYFMRSA-N 1 3 357.498 2.767 20 0 FFADHO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000370671404 513044636 /nfs/dbraw/zinc/04/46/36/513044636.db2.gz QYMQVJVEABCJMD-DNVCBOLYSA-N 1 3 354.498 2.934 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)(N2CCCCC2)CC1 ZINC000370738040 513078394 /nfs/dbraw/zinc/07/83/94/513078394.db2.gz HGWWPPZBESTYIC-JKSUJKDBSA-N 1 3 363.468 2.636 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370787544 513099585 /nfs/dbraw/zinc/09/95/85/513099585.db2.gz NWMZDJLLTDWYGG-QGZVFWFLSA-N 1 3 359.489 2.781 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000415176034 513132394 /nfs/dbraw/zinc/13/23/94/513132394.db2.gz FTSPCJZFCKRHSL-INIZCTEOSA-N 1 3 370.444 2.526 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417736827 513186816 /nfs/dbraw/zinc/18/68/16/513186816.db2.gz MYOGFZDYCIYVOY-YQQAZPJKSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccs1 ZINC000417738250 513189064 /nfs/dbraw/zinc/18/90/64/513189064.db2.gz OPVGXUDSGYEFIU-UIBIWLFHSA-N 1 3 362.543 2.667 20 0 FFADHO [NH3+]CC[C@H](NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)C(F)F ZINC000415309830 513197556 /nfs/dbraw/zinc/19/75/56/513197556.db2.gz NOHJFEILHKFQSA-INIZCTEOSA-N 1 3 370.444 2.655 20 0 FFADHO CN(CC[NH3+])C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000417814808 513218491 /nfs/dbraw/zinc/21/84/91/513218491.db2.gz HTRDJDHAVOCWEQ-UHFFFAOYSA-N 1 3 354.498 2.679 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CN1C1CC1 ZINC000428952058 513231694 /nfs/dbraw/zinc/23/16/94/513231694.db2.gz BJYFIZFKEOOURH-IGGJEDBVSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CN1C1CC1 ZINC000428952058 513231702 /nfs/dbraw/zinc/23/17/02/513231702.db2.gz BJYFIZFKEOOURH-IGGJEDBVSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417840179 513232022 /nfs/dbraw/zinc/23/20/22/513232022.db2.gz ZNCDTEKLXADKSF-IWFBPKFRSA-N 1 3 372.557 2.961 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000429109403 513279245 /nfs/dbraw/zinc/27/92/45/513279245.db2.gz KTRDLAMICKEETA-QGZVFWFLSA-N 1 3 362.518 2.823 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000429109403 513279249 /nfs/dbraw/zinc/27/92/49/513279249.db2.gz KTRDLAMICKEETA-QGZVFWFLSA-N 1 3 362.518 2.823 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000429159658 513293921 /nfs/dbraw/zinc/29/39/21/513293921.db2.gz GACDOJCHIAOELV-UWJYYQICSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417971672 513310896 /nfs/dbraw/zinc/31/08/96/513310896.db2.gz AWWAOZJYHVOQOQ-YLJYHZDGSA-N 1 3 358.530 2.538 20 0 FFADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H]1OC ZINC000429299970 513334472 /nfs/dbraw/zinc/33/44/72/513334472.db2.gz HRJHYKWIEFGBAD-QRVBRYPASA-N 1 3 361.530 2.589 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[NH+](CC)CC ZINC000429331533 513343975 /nfs/dbraw/zinc/34/39/75/513343975.db2.gz RIZPEJHBOIASHZ-UXHICEINSA-N 1 3 361.530 2.514 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000446840665 513347261 /nfs/dbraw/zinc/34/72/61/513347261.db2.gz HRHZXYYGENQVCC-UHFFFAOYSA-N 1 3 374.485 2.816 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000418065122 513358881 /nfs/dbraw/zinc/35/88/81/513358881.db2.gz LBETXJSSTUUPDP-ROUUACIJSA-N 1 3 358.530 2.810 20 0 FFADHO O=C(NCCCNCc1cccnc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418143942 513389747 /nfs/dbraw/zinc/38/97/47/513389747.db2.gz RLDMBXMBDHIVNY-HXUWFJFHSA-N 1 3 373.545 2.658 20 0 FFADHO O=C(NCCCNCc1cccnc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418143942 513389753 /nfs/dbraw/zinc/38/97/53/513389753.db2.gz RLDMBXMBDHIVNY-HXUWFJFHSA-N 1 3 373.545 2.658 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418149872 513391379 /nfs/dbraw/zinc/39/13/79/513391379.db2.gz BYEQFZMQZFPMIV-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418151791 513393002 /nfs/dbraw/zinc/39/30/02/513393002.db2.gz GBVSVGFGEKZCRI-OALUTQOASA-N 1 3 360.546 2.960 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccco1 ZINC000418165441 513400901 /nfs/dbraw/zinc/40/09/01/513400901.db2.gz JJVBJORUATXBQS-SNRMKQJTSA-N 1 3 370.497 2.895 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000418169933 513403957 /nfs/dbraw/zinc/40/39/57/513403957.db2.gz QXIHNGHASDCGOC-WBVHZDCISA-N 1 3 350.507 2.740 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418177522 513405952 /nfs/dbraw/zinc/40/59/52/513405952.db2.gz HSWMNVNWXXZXIA-SJORKVTESA-N 1 3 352.910 2.856 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccco1 ZINC000418174174 513406148 /nfs/dbraw/zinc/40/61/48/513406148.db2.gz ZSHVONZSBLUAHG-QXCFHYIPSA-N 1 3 370.497 2.764 20 0 FFADHO C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)[C@@H](c1ccccc1)N(C)C ZINC000418176906 513406289 /nfs/dbraw/zinc/40/62/89/513406289.db2.gz HJOSTZNZMZYUGP-XLIONFOSSA-N 1 3 369.513 2.552 20 0 FFADHO CCN1CCC[C@@H](CN(C)CC[NH+]2CCC(C)CC2)[C@@H]1c1cnn(C)c1 ZINC000434737827 513412271 /nfs/dbraw/zinc/41/22/71/513412271.db2.gz QOZVQMHMWBQTNI-PZJWPPBQSA-N 1 3 361.578 2.857 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418193119 513414329 /nfs/dbraw/zinc/41/43/29/513414329.db2.gz NGKLPUXCJANLTJ-IHPCNDPISA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)CCN1Cc1ccccc1 ZINC000418192213 513414572 /nfs/dbraw/zinc/41/45/72/513414572.db2.gz LZWGIIGVOXDQNW-WIYYLYMNSA-N 1 3 366.509 2.820 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC000418199880 513417937 /nfs/dbraw/zinc/41/79/37/513417937.db2.gz XUJHGMPTKYRVJM-DBVUQKKJSA-N 1 3 360.546 2.867 20 0 FFADHO C[C@H]([NH3+])CCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415803966 513429074 /nfs/dbraw/zinc/42/90/74/513429074.db2.gz KHJMMRBTVKHIOY-LBPRGKRZSA-N 1 3 354.882 2.672 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000418230575 513431621 /nfs/dbraw/zinc/43/16/21/513431621.db2.gz JPQIKRIIMZWPNJ-JLSDUUJJSA-N 1 3 364.559 2.923 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000418235299 513435489 /nfs/dbraw/zinc/43/54/89/513435489.db2.gz SAKPXAFGCPPQJA-MRXNPFEDSA-N 1 3 352.548 2.828 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000418238098 513437072 /nfs/dbraw/zinc/43/70/72/513437072.db2.gz WVZZFCAMIHCXRE-MAUKXSAKSA-N 1 3 364.559 2.652 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418246033 513439402 /nfs/dbraw/zinc/43/94/02/513439402.db2.gz YTGQIVIDFBTAFR-SLFFLAALSA-N 1 3 358.530 2.552 20 0 FFADHO COc1ccc2[nH+]c3c(c(NC[C@@H](C)N4CCN(C)CC4)c2c1)CCCC3 ZINC000413117819 513458116 /nfs/dbraw/zinc/45/81/16/513458116.db2.gz SJGPDASRFLLFPN-MRXNPFEDSA-N 1 3 368.525 2.592 20 0 FFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000447380353 513458199 /nfs/dbraw/zinc/45/81/99/513458199.db2.gz DLRNZXCEVFKRDW-IRXDYDNUSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418316676 513460574 /nfs/dbraw/zinc/46/05/74/513460574.db2.gz LZVPGRAPRRZEAH-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418352266 513479378 /nfs/dbraw/zinc/47/93/78/513479378.db2.gz SRCCHOFADBELSC-MOPGFXCFSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944009 513490803 /nfs/dbraw/zinc/49/08/03/513490803.db2.gz HISZDCXNLFKOKK-JXFKEZNVSA-N 1 3 368.481 2.666 20 0 FFADHO CN(C(=O)Nc1ccc(OCC[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415946929 513492604 /nfs/dbraw/zinc/49/26/04/513492604.db2.gz PHTNRQSVYVPZFL-LJQANCHMSA-N 1 3 368.481 2.762 20 0 FFADHO CC(C)[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000447528029 513499640 /nfs/dbraw/zinc/49/96/40/513499640.db2.gz HSNRQDRLYMLMSF-FGZHOGPDSA-N 1 3 359.558 2.851 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000418425055 513503957 /nfs/dbraw/zinc/50/39/57/513503957.db2.gz HSWXFQQUTBMMND-QZTJIDSGSA-N 1 3 360.889 2.942 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000418431664 513506384 /nfs/dbraw/zinc/50/63/84/513506384.db2.gz SSLBFZNMHKOYPK-OIISXLGYSA-N 1 3 352.910 2.759 20 0 FFADHO C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)C[C@H](C)O1 ZINC000415971230 513507948 /nfs/dbraw/zinc/50/79/48/513507948.db2.gz FZIZZTFRKROWDA-IRXDYDNUSA-N 1 3 374.529 2.889 20 0 FFADHO CCC[NH2+]CCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418469600 513523990 /nfs/dbraw/zinc/52/39/90/513523990.db2.gz IHWQGAUZBXJVNR-NRFANRHFSA-N 1 3 358.530 2.684 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418488776 513529654 /nfs/dbraw/zinc/52/96/54/513529654.db2.gz NGZLUJMFFJCILJ-FQEVSTJZSA-N 1 3 354.498 2.967 20 0 FFADHO C[C@H](C[NH3+])NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418516952 513540996 /nfs/dbraw/zinc/54/09/96/513540996.db2.gz UNYSRLFNRHLOAO-VQIMIIECSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)CCCN1C ZINC000435268534 513546207 /nfs/dbraw/zinc/54/62/07/513546207.db2.gz NCHGKMUGBKPMBC-HOJAQTOUSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)CCCN1C ZINC000435268534 513546215 /nfs/dbraw/zinc/54/62/15/513546215.db2.gz NCHGKMUGBKPMBC-HOJAQTOUSA-N 1 3 373.545 2.560 20 0 FFADHO O=C(NCC1=CC[NH2+]CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418535937 513548056 /nfs/dbraw/zinc/54/80/56/513548056.db2.gz FMRYXILODXIPOR-JOCHJYFZSA-N 1 3 368.525 2.604 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418535715 513548076 /nfs/dbraw/zinc/54/80/76/513548076.db2.gz HTVFSMZKZDUONE-NQIIRXRSSA-N 1 3 358.530 2.682 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418548064 513551047 /nfs/dbraw/zinc/55/10/47/513551047.db2.gz CFBDEFBKNDOAJW-UHFFFAOYSA-N 1 3 366.509 3.000 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418553984 513555839 /nfs/dbraw/zinc/55/58/39/513555839.db2.gz UTRDHQAGNZSFIU-IRLDBZIGSA-N 1 3 370.541 2.826 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccc(Br)c(F)c2)CC1(C)C ZINC000441379544 513556083 /nfs/dbraw/zinc/55/60/83/513556083.db2.gz JGDGINPLKKCORH-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO [NH3+]CC[C@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C(F)(F)F ZINC000416054934 513558821 /nfs/dbraw/zinc/55/88/21/513558821.db2.gz XCTVRSXROJIATE-AWEZNQCLSA-N 1 3 364.456 2.612 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418592173 513569400 /nfs/dbraw/zinc/56/94/00/513569400.db2.gz LAALFYYUFZLGFE-BWPNAZKDSA-N 1 3 358.530 2.679 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000435382451 513570156 /nfs/dbraw/zinc/57/01/56/513570156.db2.gz ZZBKPSQJEPUJCW-RCBQFDQVSA-N 1 3 358.438 2.787 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418592174 513570372 /nfs/dbraw/zinc/57/03/72/513570372.db2.gz LAALFYYUFZLGFE-JYBIWHBTSA-N 1 3 358.530 2.679 20 0 FFADHO O=C(COc1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000435378830 513571060 /nfs/dbraw/zinc/57/10/60/513571060.db2.gz GRCPTEXYRUHKTK-FQEVSTJZSA-N 1 3 371.525 2.652 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418647279 513590429 /nfs/dbraw/zinc/59/04/29/513590429.db2.gz GPSFEDQINJPTCA-QUCCMNQESA-N 1 3 358.530 2.909 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418648221 513591709 /nfs/dbraw/zinc/59/17/09/513591709.db2.gz YZRDMCSSLNMDAD-FQEVSTJZSA-N 1 3 358.530 2.637 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000418657092 513597943 /nfs/dbraw/zinc/59/79/43/513597943.db2.gz UCOIMTRGWUTCPP-HBFSDRIKSA-N 1 3 358.530 2.906 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000418657092 513597948 /nfs/dbraw/zinc/59/79/48/513597948.db2.gz UCOIMTRGWUTCPP-HBFSDRIKSA-N 1 3 358.530 2.906 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000418661424 513601056 /nfs/dbraw/zinc/60/10/56/513601056.db2.gz PSBCZILJBWOSEI-LEWJYISDSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418707262 513618691 /nfs/dbraw/zinc/61/86/91/513618691.db2.gz BJZASKUIDBYYKF-HOCLYGCPSA-N 1 3 368.472 2.556 20 0 FFADHO CN(C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000418795599 513660153 /nfs/dbraw/zinc/66/01/53/513660153.db2.gz QRBKTUIGGAIJLE-SLFFLAALSA-N 1 3 370.541 2.681 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418801067 513662775 /nfs/dbraw/zinc/66/27/75/513662775.db2.gz VDZHSERPMXOLOA-GUDVDZBRSA-N 1 3 350.551 2.672 20 0 FFADHO c1cc(C[NH+]2CCCCC2)cc(-c2noc(C[C@@H]3CSCCN3)n2)c1 ZINC000435724640 513667892 /nfs/dbraw/zinc/66/78/92/513667892.db2.gz CZOLECBIAAGRJN-QGZVFWFLSA-N 1 3 358.511 2.970 20 0 FFADHO C[C@H](CC(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000430707027 513729523 /nfs/dbraw/zinc/72/95/23/513729523.db2.gz OSLFSHAKNCRFJO-QUCCMNQESA-N 1 3 373.541 2.803 20 0 FFADHO CC(CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419548 513739963 /nfs/dbraw/zinc/73/99/63/513739963.db2.gz LLPLHBDZKSOODA-RBFKZVKLSA-N 1 3 364.574 2.873 20 0 FFADHO CC(CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419548 513739969 /nfs/dbraw/zinc/73/99/69/513739969.db2.gz LLPLHBDZKSOODA-RBFKZVKLSA-N 1 3 364.574 2.873 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000448461486 513762354 /nfs/dbraw/zinc/76/23/54/513762354.db2.gz LQAKZRNKEZMGJC-SFTDATJTSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000448461486 513762360 /nfs/dbraw/zinc/76/23/60/513762360.db2.gz LQAKZRNKEZMGJC-SFTDATJTSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000430945475 513789228 /nfs/dbraw/zinc/78/92/28/513789228.db2.gz QWBSSKNMYLDBGC-CABCVRRESA-N 1 3 367.921 2.625 20 0 FFADHO CN1CCN(CC[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1(C)C ZINC000442880938 513802185 /nfs/dbraw/zinc/80/21/85/513802185.db2.gz ZYJHIEKEELITKM-PMACEKPBSA-N 1 3 359.558 2.986 20 0 FFADHO CN1CCN(CC[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1(C)C ZINC000442880941 513802421 /nfs/dbraw/zinc/80/24/21/513802421.db2.gz ZYJHIEKEELITKM-WOJBJXKFSA-N 1 3 359.558 2.986 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057494 513855691 /nfs/dbraw/zinc/85/56/91/513855691.db2.gz GSLYNZZGVVICGK-QWHCGFSZSA-N 1 3 354.292 2.837 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000443056126 513856074 /nfs/dbraw/zinc/85/60/74/513856074.db2.gz CBFHYAFTPSDVQE-RHSMWYFYSA-N 1 3 367.440 2.844 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000443104420 513872049 /nfs/dbraw/zinc/87/20/49/513872049.db2.gz SHZGQCMBFLWVDH-KRWDZBQOSA-N 1 3 350.551 2.813 20 0 FFADHO CN1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422712885 513911098 /nfs/dbraw/zinc/91/10/98/513911098.db2.gz OUQGMTVUKGDFAC-YTFSRNRJSA-N 1 3 370.585 2.834 20 0 FFADHO COC[C@@H](CCC[NH3+])NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422719161 513912146 /nfs/dbraw/zinc/91/21/46/513912146.db2.gz XSBYVTCURNCHDV-LJQANCHMSA-N 1 3 359.445 2.922 20 0 FFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422748491 513920666 /nfs/dbraw/zinc/92/06/66/513920666.db2.gz USWDFRJDTSJREV-NCYKPQTJSA-N 1 3 373.541 2.579 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000422775454 513928962 /nfs/dbraw/zinc/92/89/62/513928962.db2.gz AGZBXURDLZNBPL-UONOGXRCSA-N 1 3 358.452 2.673 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)CC[NH2+]CC1 ZINC000422803847 513936878 /nfs/dbraw/zinc/93/68/78/513936878.db2.gz JSQPCVMVUJGCPG-GJZGRUSLSA-N 1 3 361.486 2.617 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422857989 513955470 /nfs/dbraw/zinc/95/54/70/513955470.db2.gz ZCTYZDSKXGVGEZ-GRDNDAEWSA-N 1 3 359.436 2.794 20 0 FFADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422877411 513961257 /nfs/dbraw/zinc/96/12/57/513961257.db2.gz RIVKHVVBXLLAKK-XSDIEEQYSA-N 1 3 355.526 2.730 20 0 FFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422880273 513961976 /nfs/dbraw/zinc/96/19/76/513961976.db2.gz NUWQJPTYFNTFCQ-ZBFHGGJFSA-N 1 3 368.319 2.676 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416780962 513963659 /nfs/dbraw/zinc/96/36/59/513963659.db2.gz DDTFTFHKYRWYID-OAQYLSRUSA-N 1 3 366.509 2.994 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ncoc2-c2ccccc2)CC[NH2+]CC1 ZINC000422894099 513968195 /nfs/dbraw/zinc/96/81/95/513968195.db2.gz RYZPOQJYCMODSS-OAHLLOKOSA-N 1 3 357.454 2.753 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ncoc2-c2ccccc2)CC[NH2+]CC1 ZINC000422894098 513968487 /nfs/dbraw/zinc/96/84/87/513968487.db2.gz RYZPOQJYCMODSS-HNNXBMFYSA-N 1 3 357.454 2.753 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416791203 513968707 /nfs/dbraw/zinc/96/87/07/513968707.db2.gz WAAMJHXKRJGREA-CTNGQTDRSA-N 1 3 356.514 2.609 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000431724593 513979862 /nfs/dbraw/zinc/97/98/62/513979862.db2.gz VBIRDVBQFFGCNY-NRFANRHFSA-N 1 3 369.509 2.936 20 0 FFADHO C[NH2+][C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000416832086 513988358 /nfs/dbraw/zinc/98/83/58/513988358.db2.gz IFSKXGGLZWTAPD-HOTGVXAUSA-N 1 3 350.532 2.524 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)N(C)C)cc1 ZINC000416831789 513988403 /nfs/dbraw/zinc/98/84/03/513988403.db2.gz BGRGFVSYCWUBFX-HBMCJLEFSA-N 1 3 372.557 2.883 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416831867 513988982 /nfs/dbraw/zinc/98/89/82/513988982.db2.gz BMNOCJNTNYLLFW-XHSDSOJGSA-N 1 3 350.532 2.796 20 0 FFADHO CCc1noc(-c2ccc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422955932 513990550 /nfs/dbraw/zinc/99/05/50/513990550.db2.gz KIGLZNQFERIVPQ-GBESFXJTSA-N 1 3 370.497 2.588 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000416838089 513993696 /nfs/dbraw/zinc/99/36/96/513993696.db2.gz ISULOXPSLKRKDM-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000416840248 513995713 /nfs/dbraw/zinc/99/57/13/513995713.db2.gz KPUQPRCYPNJKQQ-ZGXWSNOMSA-N 1 3 358.530 2.838 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416842449 513996547 /nfs/dbraw/zinc/99/65/47/513996547.db2.gz NDWFWNQYENNQTC-FCLJQHQZSA-N 1 3 362.543 2.809 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1OC ZINC000422984933 513998885 /nfs/dbraw/zinc/99/88/85/513998885.db2.gz BPVLUTZBGWZNHU-MANSERQUSA-N 1 3 361.530 2.817 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416849198 514001258 /nfs/dbraw/zinc/00/12/58/514001258.db2.gz XJLCAHWKKJLZSP-BBWFWOEESA-N 1 3 362.543 2.526 20 0 FFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422991400 514002048 /nfs/dbraw/zinc/00/20/48/514002048.db2.gz PQZOKPFLJCRTRN-MYGLTJDJSA-N 1 3 357.542 2.837 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(Cl)c1 ZINC000414182807 514002284 /nfs/dbraw/zinc/00/22/84/514002284.db2.gz DNEYVRKUSRKGLZ-INIZCTEOSA-N 1 3 351.922 2.787 20 0 FFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422991399 514002382 /nfs/dbraw/zinc/00/23/82/514002382.db2.gz PQZOKPFLJCRTRN-LNRXMEIDSA-N 1 3 357.542 2.837 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cc(Cl)ccc1Br ZINC000422998564 514003844 /nfs/dbraw/zinc/00/38/44/514003844.db2.gz QSMYKSBESUADNZ-VZJVUDMVSA-N 1 3 361.711 2.987 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000422998564 514003849 /nfs/dbraw/zinc/00/38/49/514003849.db2.gz QSMYKSBESUADNZ-VZJVUDMVSA-N 1 3 361.711 2.987 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CC[NH2+]CC[C@H]3C)nc12 ZINC000423041412 514016431 /nfs/dbraw/zinc/01/64/31/514016431.db2.gz XABLNBGXVKRIPU-MLGOLLRUSA-N 1 3 365.319 2.925 20 0 FFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCNCC[C@H]3C)nc12 ZINC000423041412 514016436 /nfs/dbraw/zinc/01/64/36/514016436.db2.gz XABLNBGXVKRIPU-MLGOLLRUSA-N 1 3 365.319 2.925 20 0 FFADHO CN(C)[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000431859394 514022380 /nfs/dbraw/zinc/02/23/80/514022380.db2.gz FVJTXIGXVNVCLU-NJYVYQBISA-N 1 3 373.541 2.564 20 0 FFADHO CN(Cc1ccccc1)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423063943 514024404 /nfs/dbraw/zinc/02/44/04/514024404.db2.gz QBZIHGGNWUIRRN-GXRSIYKFSA-N 1 3 357.542 2.644 20 0 FFADHO COC[C@@H](Cc1ccccc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414308000 514042506 /nfs/dbraw/zinc/04/25/06/514042506.db2.gz PVGLUQNOBMELJZ-JOCHJYFZSA-N 1 3 368.521 2.861 20 0 FFADHO CCOC(=O)CCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426804401 514045203 /nfs/dbraw/zinc/04/52/03/514045203.db2.gz UDTHDDUVRARBJQ-HDICACEKSA-N 1 3 354.535 2.931 20 0 FFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336553 514055417 /nfs/dbraw/zinc/05/54/17/514055417.db2.gz IHSNQUAUFGWNKV-FPOVZHCZSA-N 1 3 373.541 2.679 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000423143617 514058566 /nfs/dbraw/zinc/05/85/66/514058566.db2.gz XOPKBOIFJRSMDK-IKVWTGGYSA-N 1 3 362.514 2.508 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCNC(C)(C)C3)cc2)C1 ZINC000416965717 514072200 /nfs/dbraw/zinc/07/22/00/514072200.db2.gz DQFZREUYWCJPTC-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCNC(C)(C)C3)cc2)C1 ZINC000416965717 514072205 /nfs/dbraw/zinc/07/22/05/514072205.db2.gz DQFZREUYWCJPTC-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1cc(NC(=O)N(CCN(C)C)CC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000443947563 514077802 /nfs/dbraw/zinc/07/78/02/514077802.db2.gz OMIGBZIRCULCLV-UHFFFAOYSA-N 1 3 364.538 2.510 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CCc3cc(OC)c(OC)cc3CC2)cc1 ZINC000420302939 514080206 /nfs/dbraw/zinc/08/02/06/514080206.db2.gz KBQDWGYZLURJTJ-IBGZPJMESA-N 1 3 370.493 2.856 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCc3cc(OC)c(OC)cc3CC2)cc1 ZINC000420302939 514080207 /nfs/dbraw/zinc/08/02/07/514080207.db2.gz KBQDWGYZLURJTJ-IBGZPJMESA-N 1 3 370.493 2.856 20 0 FFADHO Clc1ccccc1OCCN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420310547 514086621 /nfs/dbraw/zinc/08/66/21/514086621.db2.gz VDMRXJLYWGCCIW-KRWDZBQOSA-N 1 3 351.922 2.726 20 0 FFADHO c1ccc(CN2CCC(Nc3ccc(N4CC[NH2+]CC4)cn3)CC2)cc1 ZINC000423234514 514086922 /nfs/dbraw/zinc/08/69/22/514086922.db2.gz PUCKAGHUFFFBLU-UHFFFAOYSA-N 1 3 351.498 2.568 20 0 FFADHO C[C@H]1C[C@H](Nc2ccc(N3CCNCC3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000423237975 514088796 /nfs/dbraw/zinc/08/87/96/514088796.db2.gz UNWDCFLLUBGTBI-HKUYNNGSSA-N 1 3 351.498 2.566 20 0 FFADHO C[C@H]1C[C@H](Nc2ccc(N3CCNCC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000423237975 514088805 /nfs/dbraw/zinc/08/88/05/514088805.db2.gz UNWDCFLLUBGTBI-HKUYNNGSSA-N 1 3 351.498 2.566 20 0 FFADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340465 514100674 /nfs/dbraw/zinc/10/06/74/514100674.db2.gz PKMVMWCESIAOHA-NXHRZFHOSA-N 1 3 355.482 2.884 20 0 FFADHO C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344521 514103185 /nfs/dbraw/zinc/10/31/85/514103185.db2.gz TUCMUOFHBCFKSP-MELADBBJSA-N 1 3 353.413 2.546 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344554 514104629 /nfs/dbraw/zinc/10/46/29/514104629.db2.gz TXFTWNGWDMPCAV-MELADBBJSA-N 1 3 353.413 2.546 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1NCCCC1(C)C ZINC000423322814 514109311 /nfs/dbraw/zinc/10/93/11/514109311.db2.gz IRWQSVUOYBJJRM-LJQANCHMSA-N 1 3 361.530 2.802 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000417011370 514115863 /nfs/dbraw/zinc/11/58/63/514115863.db2.gz RVBQJEDDCHXPKH-IRXDYDNUSA-N 1 3 352.548 2.948 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccsc1 ZINC000417013510 514119224 /nfs/dbraw/zinc/11/92/24/514119224.db2.gz YPBRVBRPJXLPDB-USXIJHARSA-N 1 3 352.548 2.948 20 0 FFADHO CC[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000417015507 514121200 /nfs/dbraw/zinc/12/12/00/514121200.db2.gz MPGUISNVIBCGSU-NSISKUIASA-N 1 3 358.530 2.735 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423393812 514126874 /nfs/dbraw/zinc/12/68/74/514126874.db2.gz RAUFLZWBGUDFKJ-VGSWGCGISA-N 1 3 351.494 2.841 20 0 FFADHO CC1CCN(CCNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417025619 514127737 /nfs/dbraw/zinc/12/77/37/514127737.db2.gz XXCCFIJUAHPIQC-HXUWFJFHSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000423400226 514130260 /nfs/dbraw/zinc/13/02/60/514130260.db2.gz WVVGDWCVXHNACY-SMDDNHRTSA-N 1 3 367.362 2.775 20 0 FFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CCCN1 ZINC000423408367 514132600 /nfs/dbraw/zinc/13/26/00/514132600.db2.gz AEZZEMYOILMENB-LRDDRELGSA-N 1 3 359.283 2.877 20 0 FFADHO CC(C)[C@H](C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1)[C@H](C)[NH3+] ZINC000423410427 514133293 /nfs/dbraw/zinc/13/32/93/514133293.db2.gz AFKRJMUKOKQWEI-LNLFQRSKSA-N 1 3 361.530 2.622 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000417043421 514138550 /nfs/dbraw/zinc/13/85/50/514138550.db2.gz MKFAMOBVKSIWSA-YSIASYRMSA-N 1 3 358.530 2.635 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000417043421 514138552 /nfs/dbraw/zinc/13/85/52/514138552.db2.gz MKFAMOBVKSIWSA-YSIASYRMSA-N 1 3 358.530 2.635 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417046985 514140638 /nfs/dbraw/zinc/14/06/38/514140638.db2.gz ZYXPROPDRKWKDN-PCCBWWKXSA-N 1 3 370.541 2.855 20 0 FFADHO C[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(Cl)c1 ZINC000414481537 514143536 /nfs/dbraw/zinc/14/35/36/514143536.db2.gz KURHSVQIRFITGN-QGZVFWFLSA-N 1 3 365.949 2.830 20 0 FFADHO CSc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1F ZINC000423448475 514143551 /nfs/dbraw/zinc/14/35/51/514143551.db2.gz FGFSISSQLGBQJU-MOFZMDFASA-N 1 3 365.518 2.845 20 0 FFADHO C[NH+]1CCC(CNCc2cc(Cl)ccc2Cl)(N2CCOCC2)CC1 ZINC000414487526 514146010 /nfs/dbraw/zinc/14/60/10/514146010.db2.gz SKQNVWVVTGSNCK-UHFFFAOYSA-N 1 3 372.340 2.880 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417086536 514161330 /nfs/dbraw/zinc/16/13/30/514161330.db2.gz FSSLUKDPXYUEEY-HKUYNNGSSA-N 1 3 358.530 2.640 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417086537 514161432 /nfs/dbraw/zinc/16/14/32/514161432.db2.gz FSSLUKDPXYUEEY-IEBWSBKVSA-N 1 3 358.530 2.640 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]1SC ZINC000414527043 514163798 /nfs/dbraw/zinc/16/37/98/514163798.db2.gz QIOUWZICHATAQR-IPMKNSEASA-N 1 3 364.555 2.512 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000427269990 514167456 /nfs/dbraw/zinc/16/74/56/514167456.db2.gz PIEZADIVABRGNZ-GOSISDBHSA-N 1 3 358.530 2.855 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](c2cccs2)C2(CO)CCC2)CC1 ZINC000452061449 514169260 /nfs/dbraw/zinc/16/92/60/514169260.db2.gz PJDSQPAEDNCTCI-LJQANCHMSA-N 1 3 365.587 2.958 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(N)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000423581407 514174877 /nfs/dbraw/zinc/17/48/77/514174877.db2.gz ZBCFOMIWBXIYPS-YZGWKJHDSA-N 1 3 373.541 2.547 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000417215881 514236666 /nfs/dbraw/zinc/23/66/66/514236666.db2.gz ODDIXZSBNKDKFJ-PWRODBHTSA-N 1 3 370.541 2.711 20 0 FFADHO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000437791711 514237843 /nfs/dbraw/zinc/23/78/43/514237843.db2.gz GSPJKDXGQXEQLP-UWJYYQICSA-N 1 3 371.500 2.635 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000417218383 514240006 /nfs/dbraw/zinc/24/00/06/514240006.db2.gz GLPOWLZDERDNJP-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714161 514252503 /nfs/dbraw/zinc/25/25/03/514252503.db2.gz XJBJVZNRCBLRKS-JYJNAYRXSA-N 1 3 351.922 2.961 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714161 514252510 /nfs/dbraw/zinc/25/25/10/514252510.db2.gz XJBJVZNRCBLRKS-JYJNAYRXSA-N 1 3 351.922 2.961 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3(C[NH3+])CCCC3)c(C)c2)CC1 ZINC000414727131 514259724 /nfs/dbraw/zinc/25/97/24/514259724.db2.gz AGLDSTXYXOGGSB-UHFFFAOYSA-N 1 3 359.518 2.530 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000423848080 514262010 /nfs/dbraw/zinc/26/20/10/514262010.db2.gz NEVMSQVMWFLVNU-BEKAIBRUSA-N 1 3 356.514 2.644 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCC[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000414759035 514277791 /nfs/dbraw/zinc/27/77/91/514277791.db2.gz ZJUAKBIAWZCNCQ-SFHVURJKSA-N 1 3 373.545 2.791 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)C1 ZINC000414762430 514279264 /nfs/dbraw/zinc/27/92/64/514279264.db2.gz WAXCLYFAMYMAIN-MJUUVYJYSA-N 1 3 355.526 2.842 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)C1 ZINC000414762430 514279272 /nfs/dbraw/zinc/27/92/72/514279272.db2.gz WAXCLYFAMYMAIN-MJUUVYJYSA-N 1 3 355.526 2.842 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000414763191 514279590 /nfs/dbraw/zinc/27/95/90/514279590.db2.gz MQXOSIGZZFDNTH-HNNXBMFYSA-N 1 3 367.896 2.798 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)N(C)C)cc1 ZINC000417317164 514291533 /nfs/dbraw/zinc/29/15/33/514291533.db2.gz VXBORGITKJNPOJ-UXHICEINSA-N 1 3 358.530 2.629 20 0 FFADHO CN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417319928 514293734 /nfs/dbraw/zinc/29/37/34/514293734.db2.gz OOODBHTZGPDKMN-JQKXYWIWSA-N 1 3 370.541 2.966 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000449673796 514296960 /nfs/dbraw/zinc/29/69/60/514296960.db2.gz QJFQGXGXDRKUHU-SJLPKXTDSA-N 1 3 371.447 2.574 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000449673796 514296966 /nfs/dbraw/zinc/29/69/66/514296966.db2.gz QJFQGXGXDRKUHU-SJLPKXTDSA-N 1 3 371.447 2.574 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414817209 514308188 /nfs/dbraw/zinc/30/81/88/514308188.db2.gz AFRKYDULGGNHSP-ZACQAIPSSA-N 1 3 357.498 2.819 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417356586 514309580 /nfs/dbraw/zinc/30/95/80/514309580.db2.gz CMKWXYCHOWQUBA-HNNXBMFYSA-N 1 3 352.548 2.586 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000414833133 514315019 /nfs/dbraw/zinc/31/50/19/514315019.db2.gz RBLCHTMUTNNGEH-CHWSQXEVSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414833133 514315025 /nfs/dbraw/zinc/31/50/25/514315025.db2.gz RBLCHTMUTNNGEH-CHWSQXEVSA-N 1 3 354.292 2.755 20 0 FFADHO Fc1ccc(I)c(F)c1CNCC[C@H]1CC[NH2+]C1 ZINC000414832291 514315353 /nfs/dbraw/zinc/31/53/53/514315353.db2.gz OJTAAPZNXBKFAZ-SECBINFHSA-N 1 3 366.193 2.659 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000414836923 514317138 /nfs/dbraw/zinc/31/71/38/514317138.db2.gz VBZXSKZJGXFBLU-STQMWFEESA-N 1 3 359.392 2.892 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000414836923 514317143 /nfs/dbraw/zinc/31/71/43/514317143.db2.gz VBZXSKZJGXFBLU-STQMWFEESA-N 1 3 359.392 2.892 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414941938 514366482 /nfs/dbraw/zinc/36/64/82/514366482.db2.gz CYIVCFIUOXNRPL-JMSVASOKSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414941938 514366489 /nfs/dbraw/zinc/36/64/89/514366489.db2.gz CYIVCFIUOXNRPL-JMSVASOKSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414941940 514366673 /nfs/dbraw/zinc/36/66/73/514366673.db2.gz CYIVCFIUOXNRPL-TYNCELHUSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414941940 514366678 /nfs/dbraw/zinc/36/66/78/514366678.db2.gz CYIVCFIUOXNRPL-TYNCELHUSA-N 1 3 354.292 2.896 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN[C@@H](C)[C@@H]3C)c2)CC1 ZINC000417473119 514370407 /nfs/dbraw/zinc/37/04/07/514370407.db2.gz YKYSGRIGFWQACN-ROUUACIJSA-N 1 3 358.530 2.810 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000444967114 514378571 /nfs/dbraw/zinc/37/85/71/514378571.db2.gz PXRPEFWERYAVRS-UHFFFAOYSA-N 1 3 362.562 2.767 20 0 FFADHO CC[C@@H]([NH3+])CNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414988455 514389961 /nfs/dbraw/zinc/38/99/61/514389961.db2.gz LSIOKRBMXSICHE-CQSZACIVSA-N 1 3 368.319 2.689 20 0 FFADHO c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942876 514391850 /nfs/dbraw/zinc/39/18/50/514391850.db2.gz VVRWSNXEMHTUMZ-GMAHTHKFSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942876 514391856 /nfs/dbraw/zinc/39/18/56/514391856.db2.gz VVRWSNXEMHTUMZ-GMAHTHKFSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942876 514391862 /nfs/dbraw/zinc/39/18/62/514391862.db2.gz VVRWSNXEMHTUMZ-GMAHTHKFSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942876 514391870 /nfs/dbraw/zinc/39/18/70/514391870.db2.gz VVRWSNXEMHTUMZ-GMAHTHKFSA-N 1 3 369.553 2.968 20 0 FFADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCC[NH2+]CC1 ZINC000417539524 514398793 /nfs/dbraw/zinc/39/87/93/514398793.db2.gz FURONXULZREGCS-UHFFFAOYSA-N 1 3 364.921 2.557 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000438621621 514417795 /nfs/dbraw/zinc/41/77/95/514417795.db2.gz PRCLKLLJLIQEDS-SFHVURJKSA-N 1 3 361.505 2.980 20 0 FFADHO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214505 514418233 /nfs/dbraw/zinc/41/82/33/514418233.db2.gz CTNRZPZMVXOCJE-VIYGXFRKSA-N 1 3 353.510 2.640 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415067992 514426623 /nfs/dbraw/zinc/42/66/23/514426623.db2.gz LWLOHMGKHUQBBO-MRXNPFEDSA-N 1 3 364.559 2.917 20 0 FFADHO C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1c(Cl)cccc1Cl ZINC000415075983 514431768 /nfs/dbraw/zinc/43/17/68/514431768.db2.gz CBJMUVYFSGGJTL-CHWSQXEVSA-N 1 3 358.313 2.884 20 0 FFADHO C[C@@H](CC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(C(F)(F)F)c1 ZINC000415085095 514435328 /nfs/dbraw/zinc/43/53/28/514435328.db2.gz HWGXARIHSFCBBC-GJZGRUSLSA-N 1 3 371.447 2.986 20 0 FFADHO C[C@@H]1C[C@H](CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000415091495 514438897 /nfs/dbraw/zinc/43/88/97/514438897.db2.gz QIXWDZXPGPUQEH-HZPDHXFCSA-N 1 3 352.544 2.736 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000415090312 514439306 /nfs/dbraw/zinc/43/93/06/514439306.db2.gz YXSJYKJRLPZARM-GOSISDBHSA-N 1 3 351.494 2.605 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCc2cccc(-c3ccccc3)c2)C1 ZINC000415095426 514441112 /nfs/dbraw/zinc/44/11/12/514441112.db2.gz ZMRBCMIPVHXKAF-IBGZPJMESA-N 1 3 351.494 2.683 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000415113096 514447710 /nfs/dbraw/zinc/44/77/10/514447710.db2.gz WHBQJXBVTOUVNU-CQSZACIVSA-N 1 3 369.431 2.524 20 0 FFADHO C[C@H](CC1CCCCC1)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415141819 514466146 /nfs/dbraw/zinc/46/61/46/514466146.db2.gz QBSCSQDHXSGZKW-AHRSYUTCSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H](C)O1 ZINC000433376755 514476849 /nfs/dbraw/zinc/47/68/49/514476849.db2.gz KNLPYXGVABWVEU-WSTZPKSXSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H](C)O1 ZINC000433376755 514476852 /nfs/dbraw/zinc/47/68/52/514476852.db2.gz KNLPYXGVABWVEU-WSTZPKSXSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439143913 514499945 /nfs/dbraw/zinc/49/99/45/514499945.db2.gz TVKUSKITFSIAOT-RTBURBONSA-N 1 3 353.551 2.550 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000439227537 514510412 /nfs/dbraw/zinc/51/04/12/514510412.db2.gz UGGQRXQPWDHBAD-FTEYMNFISA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433571079 514517828 /nfs/dbraw/zinc/51/78/28/514517828.db2.gz OECNOANWDCMKJG-WMZOPIPTSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433571079 514517837 /nfs/dbraw/zinc/51/78/37/514517837.db2.gz OECNOANWDCMKJG-WMZOPIPTSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466036268 514544037 /nfs/dbraw/zinc/54/40/37/514544037.db2.gz OUBNRZLUMXCNTK-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466036268 514544044 /nfs/dbraw/zinc/54/40/44/514544044.db2.gz OUBNRZLUMXCNTK-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO COCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453108044 514545603 /nfs/dbraw/zinc/54/56/03/514545603.db2.gz KGDSWTMRQJRERK-DXBBTUNJSA-N 1 3 357.542 2.740 20 0 FFADHO COCCN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453108044 514545613 /nfs/dbraw/zinc/54/56/13/514545613.db2.gz KGDSWTMRQJRERK-DXBBTUNJSA-N 1 3 357.542 2.740 20 0 FFADHO COCCN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453108044 514545619 /nfs/dbraw/zinc/54/56/19/514545619.db2.gz KGDSWTMRQJRERK-DXBBTUNJSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000466044230 514547393 /nfs/dbraw/zinc/54/73/93/514547393.db2.gz TVUITJDUFWSLKZ-CRAIPNDOSA-N 1 3 366.937 2.896 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000466044230 514547396 /nfs/dbraw/zinc/54/73/96/514547396.db2.gz TVUITJDUFWSLKZ-CRAIPNDOSA-N 1 3 366.937 2.896 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)CC[N@@H+]1C ZINC000466053377 514550191 /nfs/dbraw/zinc/55/01/91/514550191.db2.gz UMFDFWAAVPKXED-QUCCMNQESA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)CC[N@H+]1C ZINC000466053377 514550196 /nfs/dbraw/zinc/55/01/96/514550196.db2.gz UMFDFWAAVPKXED-QUCCMNQESA-N 1 3 360.546 2.675 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466221666 514581898 /nfs/dbraw/zinc/58/18/98/514581898.db2.gz VXCNHQSYPHLPBM-OXJNMPFZSA-N 1 3 358.530 2.809 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466221666 514581903 /nfs/dbraw/zinc/58/19/03/514581903.db2.gz VXCNHQSYPHLPBM-OXJNMPFZSA-N 1 3 358.530 2.809 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000458157092 514590206 /nfs/dbraw/zinc/59/02/06/514590206.db2.gz CEPPCFXSMDMTRO-PKOBYXMFSA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000458157092 514590217 /nfs/dbraw/zinc/59/02/17/514590217.db2.gz CEPPCFXSMDMTRO-PKOBYXMFSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCCC[C@H]1C ZINC000470752648 514595412 /nfs/dbraw/zinc/59/54/12/514595412.db2.gz AJVSXTCUOOUXTC-LMMKCTJWSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCCC[C@H]1C ZINC000470752648 514595421 /nfs/dbraw/zinc/59/54/21/514595421.db2.gz AJVSXTCUOOUXTC-LMMKCTJWSA-N 1 3 350.551 2.623 20 0 FFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470767186 514601310 /nfs/dbraw/zinc/60/13/10/514601310.db2.gz UHJGVVZKDGATKK-HSZRJFAPSA-N 1 3 369.553 2.701 20 0 FFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470767186 514601316 /nfs/dbraw/zinc/60/13/16/514601316.db2.gz UHJGVVZKDGATKK-HSZRJFAPSA-N 1 3 369.553 2.701 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475281512 514603132 /nfs/dbraw/zinc/60/31/32/514603132.db2.gz POXZNZZRZHDQBK-AQNXPRMDSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000488913625 514633418 /nfs/dbraw/zinc/63/34/18/514633418.db2.gz PPEVDFFTNKYGCY-OAQYLSRUSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000488913625 514633428 /nfs/dbraw/zinc/63/34/28/514633428.db2.gz PPEVDFFTNKYGCY-OAQYLSRUSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000497842783 514655027 /nfs/dbraw/zinc/65/50/27/514655027.db2.gz LTXKXRYUTDVCFD-RBUKOAKNSA-N 1 3 364.509 2.992 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000497842783 514655036 /nfs/dbraw/zinc/65/50/36/514655036.db2.gz LTXKXRYUTDVCFD-RBUKOAKNSA-N 1 3 364.509 2.992 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCN1Cc1ccccc1 ZINC000488968619 514655151 /nfs/dbraw/zinc/65/51/51/514655151.db2.gz ILIKEJUBZFWFPQ-JAXLGGSGSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCN1Cc1ccccc1 ZINC000488968619 514655163 /nfs/dbraw/zinc/65/51/63/514655163.db2.gz ILIKEJUBZFWFPQ-JAXLGGSGSA-N 1 3 370.541 2.967 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489162042 514734496 /nfs/dbraw/zinc/73/44/96/514734496.db2.gz WRGHFOKNEHLONB-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489162042 514734506 /nfs/dbraw/zinc/73/45/06/514734506.db2.gz WRGHFOKNEHLONB-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000458399468 514766831 /nfs/dbraw/zinc/76/68/31/514766831.db2.gz GIKNVDUIBUHFDH-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000458399468 514766845 /nfs/dbraw/zinc/76/68/45/514766845.db2.gz GIKNVDUIBUHFDH-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000489301914 514789039 /nfs/dbraw/zinc/78/90/39/514789039.db2.gz XZFOTJZNHSHFBS-WOJBJXKFSA-N 1 3 372.557 2.995 20 0 FFADHO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H](N)CC(F)F ZINC000498202561 514802868 /nfs/dbraw/zinc/80/28/68/514802868.db2.gz VDDFSTQPNGXSTB-HOTGVXAUSA-N 1 3 353.457 2.558 20 0 FFADHO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H](N)CC(F)F ZINC000498202561 514802875 /nfs/dbraw/zinc/80/28/75/514802875.db2.gz VDDFSTQPNGXSTB-HOTGVXAUSA-N 1 3 353.457 2.558 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000458451176 514806747 /nfs/dbraw/zinc/80/67/47/514806747.db2.gz VUIIKFLNLCHELU-LESCRADOSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000458451176 514806756 /nfs/dbraw/zinc/80/67/56/514806756.db2.gz VUIIKFLNLCHELU-LESCRADOSA-N 1 3 364.559 2.793 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000502907490 514838191 /nfs/dbraw/zinc/83/81/91/514838191.db2.gz ZKTKLWXIISQJCQ-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000502907490 514838197 /nfs/dbraw/zinc/83/81/97/514838197.db2.gz ZKTKLWXIISQJCQ-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502907490 514838203 /nfs/dbraw/zinc/83/82/03/514838203.db2.gz ZKTKLWXIISQJCQ-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000502907490 514838210 /nfs/dbraw/zinc/83/82/10/514838210.db2.gz ZKTKLWXIISQJCQ-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000502910939 514839254 /nfs/dbraw/zinc/83/92/54/514839254.db2.gz MSZLMESAQQUWRD-SFHVURJKSA-N 1 3 358.530 2.908 20 0 FFADHO CN(CCNC(=O)CC[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000471384076 514858749 /nfs/dbraw/zinc/85/87/49/514858749.db2.gz GFLZVEHOHBDBSH-UHFFFAOYSA-N 1 3 351.494 2.683 20 0 FFADHO CN(CCNC(=O)CC[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000471384076 514858762 /nfs/dbraw/zinc/85/87/62/514858762.db2.gz GFLZVEHOHBDBSH-UHFFFAOYSA-N 1 3 351.494 2.683 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)C1 ZINC000489474461 514859090 /nfs/dbraw/zinc/85/90/90/514859090.db2.gz KQZMAVQSELCLGO-SQGPQFPESA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCCC1 ZINC000471390772 514865444 /nfs/dbraw/zinc/86/54/44/514865444.db2.gz HCLIDIVCPUPCNH-SESVDKBCSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCCCCC1 ZINC000471390772 514865457 /nfs/dbraw/zinc/86/54/57/514865457.db2.gz HCLIDIVCPUPCNH-SESVDKBCSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000458524820 514871853 /nfs/dbraw/zinc/87/18/53/514871853.db2.gz ZUCBJRLCRMJQDX-DLBZAZTESA-N 1 3 352.548 2.694 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H](C)C1 ZINC000480302630 514913927 /nfs/dbraw/zinc/91/39/27/514913927.db2.gz VAVRHWXJDUETCR-AZUAARDMSA-N 1 3 360.546 2.908 20 0 FFADHO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000508896322 514943582 /nfs/dbraw/zinc/94/35/82/514943582.db2.gz MGOSBZMFEXBXOZ-PIKOESSRSA-N 1 3 358.530 2.946 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000508900440 514945697 /nfs/dbraw/zinc/94/56/97/514945697.db2.gz XOQCHGLAUFPUOM-BJLQDIEVSA-N 1 3 360.546 2.969 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000508900440 514945708 /nfs/dbraw/zinc/94/57/08/514945708.db2.gz XOQCHGLAUFPUOM-BJLQDIEVSA-N 1 3 360.546 2.969 20 0 FFADHO C[NH+](C)CCOC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000508918029 514955132 /nfs/dbraw/zinc/95/51/32/514955132.db2.gz XDGUBQUBWMHZMB-NRFANRHFSA-N 1 3 362.514 2.787 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000489778281 514971391 /nfs/dbraw/zinc/97/13/91/514971391.db2.gz GAFYBBQWSHKDGH-RTBURBONSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000489778281 514971402 /nfs/dbraw/zinc/97/14/02/514971402.db2.gz GAFYBBQWSHKDGH-RTBURBONSA-N 1 3 364.578 2.870 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000489787597 514975643 /nfs/dbraw/zinc/97/56/43/514975643.db2.gz OSMVVTSHEHVEEE-PWRODBHTSA-N 1 3 372.557 2.995 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@]4(CCN(C)C4)C3)CC2)CC1 ZINC000489790553 514977248 /nfs/dbraw/zinc/97/72/48/514977248.db2.gz MQLXYMDFEKLMSP-GRERDSQWSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000485295674 514988151 /nfs/dbraw/zinc/98/81/51/514988151.db2.gz VEHGDNQAHIEEEU-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000485295674 514988161 /nfs/dbraw/zinc/98/81/61/514988161.db2.gz VEHGDNQAHIEEEU-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458655848 514990783 /nfs/dbraw/zinc/99/07/83/514990783.db2.gz RZSPNKIZCKWVFR-UZKOGDIHSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458655848 514990790 /nfs/dbraw/zinc/99/07/90/514990790.db2.gz RZSPNKIZCKWVFR-UZKOGDIHSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000503520685 515064351 /nfs/dbraw/zinc/06/43/51/515064351.db2.gz IGLPMKZHMKXTHA-UTKZUKDTSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](NC1CC[NH+](CCN(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467754854 515105594 /nfs/dbraw/zinc/10/55/94/515105594.db2.gz XFKMHYVAGAECSP-NSHDSACASA-N 1 3 350.454 2.839 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000462534280 515111354 /nfs/dbraw/zinc/11/13/54/515111354.db2.gz ZGKBQGWUIFNBNO-QGZVFWFLSA-N 1 3 361.534 2.668 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000462534280 515111363 /nfs/dbraw/zinc/11/13/63/515111363.db2.gz ZGKBQGWUIFNBNO-QGZVFWFLSA-N 1 3 361.534 2.668 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000490189159 515135009 /nfs/dbraw/zinc/13/50/09/515135009.db2.gz VOTFZOSXBKHRHJ-WFXMLNOXSA-N 1 3 372.557 2.662 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccco1 ZINC000480971426 515155803 /nfs/dbraw/zinc/15/58/03/515155803.db2.gz NQGWRTLXBXUCFL-IKGGRYGDSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490263871 515161618 /nfs/dbraw/zinc/16/16/18/515161618.db2.gz WDLZTZKLUTTXAM-WJFTUGDTSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000476766902 515187771 /nfs/dbraw/zinc/18/77/71/515187771.db2.gz QUPRFDSLELXLGT-OAQYLSRUSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000485835441 515210171 /nfs/dbraw/zinc/21/01/71/515210171.db2.gz RRGCUMZOEHEXBK-FUHWJXTLSA-N 1 3 365.543 2.704 20 0 FFADHO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000485835441 515210179 /nfs/dbraw/zinc/21/01/79/515210179.db2.gz RRGCUMZOEHEXBK-FUHWJXTLSA-N 1 3 365.543 2.704 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499141610 515218046 /nfs/dbraw/zinc/21/80/46/515218046.db2.gz MJBWQSAIJFFDQW-OWZKRDHZSA-N 1 3 351.498 2.941 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499141610 515218055 /nfs/dbraw/zinc/21/80/55/515218055.db2.gz MJBWQSAIJFFDQW-OWZKRDHZSA-N 1 3 351.498 2.941 20 0 FFADHO C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000472313335 515220417 /nfs/dbraw/zinc/22/04/17/515220417.db2.gz AKILCWVIEVWGLH-IEBWSBKVSA-N 1 3 355.526 2.683 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000499193127 515231740 /nfs/dbraw/zinc/23/17/40/515231740.db2.gz PLNCEQAIPNBSTA-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000499193127 515231748 /nfs/dbraw/zinc/23/17/48/515231748.db2.gz PLNCEQAIPNBSTA-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000472340816 515234671 /nfs/dbraw/zinc/23/46/71/515234671.db2.gz QHBFAFCUAJTTAJ-UHFFFAOYSA-N 1 3 362.518 2.967 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000509581387 515244243 /nfs/dbraw/zinc/24/42/43/515244243.db2.gz BTYHKIWZTUFQLU-VVLHAWIVSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000509581387 515244250 /nfs/dbraw/zinc/24/42/50/515244250.db2.gz BTYHKIWZTUFQLU-VVLHAWIVSA-N 1 3 350.507 2.833 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1Cl ZINC000499520026 515355168 /nfs/dbraw/zinc/35/51/68/515355168.db2.gz NIBQTSYLOQPFAO-QGZVFWFLSA-N 1 3 351.922 2.757 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1Cl ZINC000499520026 515355174 /nfs/dbraw/zinc/35/51/74/515355174.db2.gz NIBQTSYLOQPFAO-QGZVFWFLSA-N 1 3 351.922 2.757 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@@]3(CCN(CCN4CCCOCC4)C3)C2)cc1 ZINC000463108827 515370598 /nfs/dbraw/zinc/37/05/98/515370598.db2.gz UXKJXHVKWAKWCQ-QFIPXVFZSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCN4CCCOCC4)C3)C2)cc1 ZINC000463108827 515370601 /nfs/dbraw/zinc/37/06/01/515370601.db2.gz UXKJXHVKWAKWCQ-QFIPXVFZSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN4CCCOCC4)C3)C2)cc1 ZINC000463108827 515370605 /nfs/dbraw/zinc/37/06/05/515370605.db2.gz UXKJXHVKWAKWCQ-QFIPXVFZSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(CN2CCC[C@@]3(CC[N@H+](CCN4CCCOCC4)C3)C2)cc1 ZINC000463108827 515370609 /nfs/dbraw/zinc/37/06/09/515370609.db2.gz UXKJXHVKWAKWCQ-QFIPXVFZSA-N 1 3 357.542 2.697 20 0 FFADHO CC(C)N1CCC(O)(C[NH2+][C@H]2C[C@H](C)CN(Cc3ccccc3)C2)CC1 ZINC000468559010 515414401 /nfs/dbraw/zinc/41/44/01/515414401.db2.gz GGJJNDPYEWLNKP-FPOVZHCZSA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1)[NH+]1CCCC1 ZINC000477342773 515418390 /nfs/dbraw/zinc/41/83/90/515418390.db2.gz UCGJSJNJXSDHHO-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO CN(C)[C@]1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCSC1 ZINC000481807502 515472110 /nfs/dbraw/zinc/47/21/10/515472110.db2.gz MBLHYWPABXGAAH-IBGZPJMESA-N 1 3 368.591 2.520 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NCCN(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000510319471 515502566 /nfs/dbraw/zinc/50/25/66/515502566.db2.gz QOQAWVJVEXJJIR-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NCCN(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000510319471 515502573 /nfs/dbraw/zinc/50/25/73/515502573.db2.gz QOQAWVJVEXJJIR-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000510343602 515508884 /nfs/dbraw/zinc/50/88/84/515508884.db2.gz BAAVULVSJWAECM-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000510384219 515524330 /nfs/dbraw/zinc/52/43/30/515524330.db2.gz JIFFXQRRMALKOV-MOPGFXCFSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000510384219 515524337 /nfs/dbraw/zinc/52/43/37/515524337.db2.gz JIFFXQRRMALKOV-MOPGFXCFSA-N 1 3 372.557 2.679 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000510526070 515570197 /nfs/dbraw/zinc/57/01/97/515570197.db2.gz OPWCNTFFLUQAOW-OXQOHEQNSA-N 1 3 358.530 2.801 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000510526070 515570206 /nfs/dbraw/zinc/57/02/06/515570206.db2.gz OPWCNTFFLUQAOW-OXQOHEQNSA-N 1 3 358.530 2.801 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000510535089 515572825 /nfs/dbraw/zinc/57/28/25/515572825.db2.gz DHQKDCXGACAWDK-IEBWSBKVSA-N 1 3 350.551 2.693 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCCCCC1 ZINC000510575475 515592093 /nfs/dbraw/zinc/59/20/93/515592093.db2.gz UAZFOKDYPPMADA-IEBWSBKVSA-N 1 3 350.551 2.837 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473525307 515647602 /nfs/dbraw/zinc/64/76/02/515647602.db2.gz PCKROCGZSQOURB-UYSNPLJNSA-N 1 3 361.452 2.782 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473525307 515647611 /nfs/dbraw/zinc/64/76/11/515647611.db2.gz PCKROCGZSQOURB-UYSNPLJNSA-N 1 3 361.452 2.782 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cncc2ccccc21 ZINC000505766989 515664097 /nfs/dbraw/zinc/66/40/97/515664097.db2.gz RLFOFXYCAOQDPV-SFHVURJKSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cncc2ccccc21 ZINC000505766989 515664105 /nfs/dbraw/zinc/66/41/05/515664105.db2.gz RLFOFXYCAOQDPV-SFHVURJKSA-N 1 3 354.498 2.723 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000478209114 515736769 /nfs/dbraw/zinc/73/67/69/515736769.db2.gz PIOICQIBYOJBHO-UHFFFAOYSA-N 1 3 362.514 2.967 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NCC[N@H+](C)CC)c1ccc(Cl)cc1 ZINC000487187906 515792734 /nfs/dbraw/zinc/79/27/34/515792734.db2.gz RXADYXUFYSWMER-KRWDZBQOSA-N 1 3 354.926 2.974 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NCC[N@@H+](C)CC)c1ccc(Cl)cc1 ZINC000487187906 515792737 /nfs/dbraw/zinc/79/27/37/515792737.db2.gz RXADYXUFYSWMER-KRWDZBQOSA-N 1 3 354.926 2.974 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000459796395 515810817 /nfs/dbraw/zinc/81/08/17/515810817.db2.gz YOWPFPHGUQWMSY-AGKXRFJRSA-N 1 3 355.526 2.934 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000487536750 515898343 /nfs/dbraw/zinc/89/83/43/515898343.db2.gz KDJOZXPYXCKSMA-OKZBNKHCSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccco1 ZINC000494648605 515909560 /nfs/dbraw/zinc/90/95/60/515909560.db2.gz NMCMUDQDVPFCDG-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccco1 ZINC000494648605 515909570 /nfs/dbraw/zinc/90/95/70/515909570.db2.gz NMCMUDQDVPFCDG-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000511467846 515916361 /nfs/dbraw/zinc/91/63/61/515916361.db2.gz ZVPSRKMCAHGZSJ-ROUUACIJSA-N 1 3 365.468 2.696 20 0 FFADHO CC(C)[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCN1C ZINC000487639690 515932978 /nfs/dbraw/zinc/93/29/78/515932978.db2.gz LXFKNBSURIELKX-IRXDYDNUSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000469762496 515956107 /nfs/dbraw/zinc/95/61/07/515956107.db2.gz CVHBJBTUUMPKST-UKAVVXHISA-N 1 3 357.542 2.596 20 0 FFADHO CC(C)CN(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000501072418 515967387 /nfs/dbraw/zinc/96/73/87/515967387.db2.gz YUHWSLQOLXRSTN-UHFFFAOYSA-N 1 3 358.530 2.877 20 0 FFADHO CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)N(C)C)cc1 ZINC000474318348 515989788 /nfs/dbraw/zinc/98/97/88/515989788.db2.gz YKUMALCLPFUWIQ-QFIPXVFZSA-N 1 3 365.521 2.970 20 0 FFADHO C[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000474329847 515996895 /nfs/dbraw/zinc/99/68/95/515996895.db2.gz KPYJZZSOAZKYTM-QHGAOEGBSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N1CCc2ccccc2C1 ZINC000487829829 515996893 /nfs/dbraw/zinc/99/68/93/515996893.db2.gz BIXMINCDVUWSNF-RBBKRZOGSA-N 1 3 370.541 2.561 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N1CCc2ccccc2C1 ZINC000487829829 515996903 /nfs/dbraw/zinc/99/69/03/515996903.db2.gz BIXMINCDVUWSNF-RBBKRZOGSA-N 1 3 370.541 2.561 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000483237075 515997976 /nfs/dbraw/zinc/99/79/76/515997976.db2.gz YOSWCIUCIXYMPY-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cc3ccccc3s2)C1)[C@H]1CCC[NH2+]1 ZINC000469865823 516006568 /nfs/dbraw/zinc/00/65/68/516006568.db2.gz ZXGCKPMLJAKLQO-CRAIPNDOSA-N 1 3 357.523 2.982 20 0 FFADHO COCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCC[C@H]1C ZINC000487949621 516047509 /nfs/dbraw/zinc/04/75/09/516047509.db2.gz GEYQKGNWGBIORN-YZGWKJHDSA-N 1 3 361.530 2.543 20 0 FFADHO COCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCC[C@H]1C ZINC000487949621 516047514 /nfs/dbraw/zinc/04/75/14/516047514.db2.gz GEYQKGNWGBIORN-YZGWKJHDSA-N 1 3 361.530 2.543 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000474515942 516077544 /nfs/dbraw/zinc/07/75/44/516077544.db2.gz OOMQSGXJBNUFRK-QRVBRYPASA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@@H+]1CCC[C@H](C)C1 ZINC000457699755 516079898 /nfs/dbraw/zinc/07/98/98/516079898.db2.gz WZZHBSXOYBYKFB-IRXDYDNUSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@H+]1CCC[C@H](C)C1 ZINC000457699755 516079905 /nfs/dbraw/zinc/07/99/05/516079905.db2.gz WZZHBSXOYBYKFB-IRXDYDNUSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C1CC1 ZINC000460256765 516088029 /nfs/dbraw/zinc/08/80/29/516088029.db2.gz ILRRJJDCPHEQAT-RLLQIKCJSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C1CC1 ZINC000460256765 516088034 /nfs/dbraw/zinc/08/80/34/516088034.db2.gz ILRRJJDCPHEQAT-RLLQIKCJSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000488046985 516095152 /nfs/dbraw/zinc/09/51/52/516095152.db2.gz WBMUOSQRMYEKOA-QUCCMNQESA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@H+](C2CCC2)C1 ZINC000488046985 516095157 /nfs/dbraw/zinc/09/51/57/516095157.db2.gz WBMUOSQRMYEKOA-QUCCMNQESA-N 1 3 372.557 2.675 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000479197495 516102843 /nfs/dbraw/zinc/10/28/43/516102843.db2.gz VCTQQXJNWWEHMT-SFTDATJTSA-N 1 3 369.484 2.821 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000460297046 516104362 /nfs/dbraw/zinc/10/43/62/516104362.db2.gz LKWXOHPRIUIZRL-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO NC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000479207996 516108844 /nfs/dbraw/zinc/10/88/44/516108844.db2.gz UCKFEGJAODBXFC-FXAWDEMLSA-N 1 3 361.505 2.983 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457736479 516108981 /nfs/dbraw/zinc/10/89/81/516108981.db2.gz KOLJFGADFJVKRL-RXVVDRJESA-N 1 3 370.541 2.797 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000474595443 516112855 /nfs/dbraw/zinc/11/28/55/516112855.db2.gz DPJDPWYSVFWMAZ-ZVBHREPYSA-N 1 3 354.535 2.977 20 0 FFADHO NC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000479228729 516117665 /nfs/dbraw/zinc/11/76/65/516117665.db2.gz WJIJBTCQBXTXHY-WIYYLYMNSA-N 1 3 369.484 2.549 20 0 FFADHO NC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000479228729 516117674 /nfs/dbraw/zinc/11/76/74/516117674.db2.gz WJIJBTCQBXTXHY-WIYYLYMNSA-N 1 3 369.484 2.549 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3CCC2CC3)CCC1 ZINC000455328827 516123817 /nfs/dbraw/zinc/12/38/17/516123817.db2.gz IYDAAPADUAAWHR-UHFFFAOYSA-N 1 3 356.514 2.531 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3CCC2CC3)CCC1 ZINC000455328827 516123825 /nfs/dbraw/zinc/12/38/25/516123825.db2.gz IYDAAPADUAAWHR-UHFFFAOYSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C)C1 ZINC000501494424 516125522 /nfs/dbraw/zinc/12/55/22/516125522.db2.gz JKLWGUULYQPJAE-OKYOBFRVSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C)C1 ZINC000501494424 516125532 /nfs/dbraw/zinc/12/55/32/516125532.db2.gz JKLWGUULYQPJAE-OKYOBFRVSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000479268922 516132110 /nfs/dbraw/zinc/13/21/10/516132110.db2.gz ANLHMSDNBHLNFS-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000479268922 516132119 /nfs/dbraw/zinc/13/21/19/516132119.db2.gz ANLHMSDNBHLNFS-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000465443986 516154902 /nfs/dbraw/zinc/15/49/02/516154902.db2.gz CPBXRMUCPSJILA-INDMIFKZSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000465443986 516154908 /nfs/dbraw/zinc/15/49/08/516154908.db2.gz CPBXRMUCPSJILA-INDMIFKZSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000474724069 516170942 /nfs/dbraw/zinc/17/09/42/516170942.db2.gz ACBZCXTWSNORBF-ROUUACIJSA-N 1 3 367.965 2.812 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000465531119 516181183 /nfs/dbraw/zinc/18/11/83/516181183.db2.gz WTKNCKYPILYUEG-DUXKGJEZSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000465531119 516181189 /nfs/dbraw/zinc/18/11/89/516181189.db2.gz WTKNCKYPILYUEG-DUXKGJEZSA-N 1 3 372.557 2.947 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000465529866 516182213 /nfs/dbraw/zinc/18/22/13/516182213.db2.gz MLZCMCUDPPIWET-DJIMGWMZSA-N 1 3 352.548 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000465529866 516182223 /nfs/dbraw/zinc/18/22/23/516182223.db2.gz MLZCMCUDPPIWET-DJIMGWMZSA-N 1 3 352.548 2.913 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000507409015 516204592 /nfs/dbraw/zinc/20/45/92/516204592.db2.gz QEOKSJMSSZCTNP-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000507409015 516204599 /nfs/dbraw/zinc/20/45/99/516204599.db2.gz QEOKSJMSSZCTNP-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCCCN2CCc3ccccc3C2)CCCCC1 ZINC000501721466 516205887 /nfs/dbraw/zinc/20/58/87/516205887.db2.gz SBWQIYBUNSPHKQ-UHFFFAOYSA-N 1 3 372.557 2.999 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCCC[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000465623640 516212532 /nfs/dbraw/zinc/21/25/32/516212532.db2.gz DRVICIUIOHPXKD-FUHWJXTLSA-N 1 3 364.559 2.916 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc2c(c1)CNC2 ZINC000470369769 516223519 /nfs/dbraw/zinc/22/35/19/516223519.db2.gz QDEWABFFDFTLQX-UHFFFAOYSA-N 1 3 367.493 2.940 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)CNC2)Cc1ccccc1 ZINC000470372182 516225324 /nfs/dbraw/zinc/22/53/24/516225324.db2.gz DKWOKSQWHDSCHS-NRFANRHFSA-N 1 3 351.494 2.973 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457937505 516241294 /nfs/dbraw/zinc/24/12/94/516241294.db2.gz SULPFXLDQOOPHE-HKUYNNGSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457940908 516242684 /nfs/dbraw/zinc/24/26/84/516242684.db2.gz WNMRRFCPZQADCN-OPYAIIAOSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457940907 516243201 /nfs/dbraw/zinc/24/32/01/516243201.db2.gz WNMRRFCPZQADCN-LVCYWYKZSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457940907 516243209 /nfs/dbraw/zinc/24/32/09/516243209.db2.gz WNMRRFCPZQADCN-LVCYWYKZSA-N 1 3 364.578 2.870 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000465745784 516246384 /nfs/dbraw/zinc/24/63/84/516246384.db2.gz GHEIKBGSOORAPD-CEXWTWQISA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000465745784 516246391 /nfs/dbraw/zinc/24/63/91/516246391.db2.gz GHEIKBGSOORAPD-CEXWTWQISA-N 1 3 352.567 2.870 20 0 FFADHO CN(CCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465754637 516247632 /nfs/dbraw/zinc/24/76/32/516247632.db2.gz LTNPAFHABDQXBD-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CN(CCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465754637 516247641 /nfs/dbraw/zinc/24/76/41/516247641.db2.gz LTNPAFHABDQXBD-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000502156188 516311494 /nfs/dbraw/zinc/31/14/94/516311494.db2.gz JVGZTRXWZIUWMG-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000502156188 516311497 /nfs/dbraw/zinc/31/14/97/516311497.db2.gz JVGZTRXWZIUWMG-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000512610721 516312882 /nfs/dbraw/zinc/31/28/82/516312882.db2.gz DKOXJPQYHQWLQN-ORGZWQDUSA-N 1 3 367.537 2.886 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000528314534 516341599 /nfs/dbraw/zinc/34/15/99/516341599.db2.gz IHVDSEMAKPBTQW-LEWJYISDSA-N 1 3 373.516 2.994 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCS[C@H](C)[C@H]3C)CC2)CC1 ZINC000557624566 516342375 /nfs/dbraw/zinc/34/23/75/516342375.db2.gz FHOIRCWCVZHJQV-HZPDHXFCSA-N 1 3 353.576 2.535 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3Cc4c3cccc4Cl)CC2)CC1 ZINC000528318516 516344112 /nfs/dbraw/zinc/34/41/12/516344112.db2.gz ZFWYDWDDACODRH-GOSISDBHSA-N 1 3 361.917 2.655 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000531215372 516353327 /nfs/dbraw/zinc/35/33/27/516353327.db2.gz HVVGYWKJVBUZTO-MOPGFXCFSA-N 1 3 356.514 2.692 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(Cl)cc1 ZINC000531318458 516404518 /nfs/dbraw/zinc/40/45/18/516404518.db2.gz NFZYZHXXNIEHLJ-QZTJIDSGSA-N 1 3 362.905 2.598 20 0 FFADHO CCC1(C)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000523191717 516405229 /nfs/dbraw/zinc/40/52/29/516405229.db2.gz QGSCKSJSBOUFIL-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000540059942 516422677 /nfs/dbraw/zinc/42/26/77/516422677.db2.gz YSSXFRSZCJZXPA-ROUUACIJSA-N 1 3 373.545 2.860 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000540059942 516422689 /nfs/dbraw/zinc/42/26/89/516422689.db2.gz YSSXFRSZCJZXPA-ROUUACIJSA-N 1 3 373.545 2.860 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3Cc4ccccc4C3)CC2)CC1 ZINC000561175735 516429634 /nfs/dbraw/zinc/42/96/34/516429634.db2.gz NJMOMVTZSWXXJL-UHFFFAOYSA-N 1 3 369.553 2.809 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000517739366 516432896 /nfs/dbraw/zinc/43/28/96/516432896.db2.gz OGMLZFDEUCWKSG-SFTDATJTSA-N 1 3 355.526 2.747 20 0 FFADHO NCc1cc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc(C(F)(F)F)c1 ZINC000561194892 516441518 /nfs/dbraw/zinc/44/15/18/516441518.db2.gz FXGPQGAVEIHAQI-HNNXBMFYSA-N 1 3 367.375 2.537 20 0 FFADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000540144289 516455734 /nfs/dbraw/zinc/45/57/34/516455734.db2.gz MTGVIPBSMJONRK-AHIWAGSCSA-N 1 3 353.869 2.904 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000523601131 516517735 /nfs/dbraw/zinc/51/77/35/516517735.db2.gz WIIQBPMWJHKIJQ-OAQYLSRUSA-N 1 3 370.541 2.838 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000523666571 516537367 /nfs/dbraw/zinc/53/73/67/516537367.db2.gz JVDYOCLNIVCQIR-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO C[C@@H]1C[C@@H](CC[NH2+][C@@H](CS(C)(=O)=O)C2CC2)CN1Cc1ccccc1 ZINC000551087428 516556277 /nfs/dbraw/zinc/55/62/77/516556277.db2.gz QRIGRSJUUSLIQT-POAQFYNOSA-N 1 3 364.555 2.700 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000523905369 516604991 /nfs/dbraw/zinc/60/49/91/516604991.db2.gz PEQYMWNRUQEDQZ-LJQANCHMSA-N 1 3 360.546 2.723 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000523905369 516605001 /nfs/dbraw/zinc/60/50/01/516605001.db2.gz PEQYMWNRUQEDQZ-LJQANCHMSA-N 1 3 360.546 2.723 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000518371444 516632479 /nfs/dbraw/zinc/63/24/79/516632479.db2.gz XREJFHMUQQOHLZ-HXUWFJFHSA-N 1 3 358.530 2.910 20 0 FFADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000528712424 516636843 /nfs/dbraw/zinc/63/68/43/516636843.db2.gz DTAWDIGQMHGSCH-IBGZPJMESA-N 1 3 366.465 2.565 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1 ZINC000547949867 516651563 /nfs/dbraw/zinc/65/15/63/516651563.db2.gz JNOWJXHTJXTMJL-YJBOKZPZSA-N 1 3 365.468 2.948 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1 ZINC000547949867 516651572 /nfs/dbraw/zinc/65/15/72/516651572.db2.gz JNOWJXHTJXTMJL-YJBOKZPZSA-N 1 3 365.468 2.948 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000524265224 516681403 /nfs/dbraw/zinc/68/14/03/516681403.db2.gz PCGARJDTQJDCCX-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000524265224 516681418 /nfs/dbraw/zinc/68/14/18/516681418.db2.gz PCGARJDTQJDCCX-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000544349407 516715845 /nfs/dbraw/zinc/71/58/45/516715845.db2.gz VTZVKIFTXYSVJM-FVJLSDCUSA-N 1 3 369.513 2.649 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000544349407 516715849 /nfs/dbraw/zinc/71/58/49/516715849.db2.gz VTZVKIFTXYSVJM-FVJLSDCUSA-N 1 3 369.513 2.649 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)(N2CCCCC2)CC1 ZINC000544356980 516721921 /nfs/dbraw/zinc/72/19/21/516721921.db2.gz REGPNNAKKLXZKK-IBGZPJMESA-N 1 3 370.541 3.000 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000531959603 516732791 /nfs/dbraw/zinc/73/27/91/516732791.db2.gz PAWZCXOOAFHUML-UKRRQHHQSA-N 1 3 352.548 2.813 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1CCC(C)CC1 ZINC000513754956 516741947 /nfs/dbraw/zinc/74/19/47/516741947.db2.gz OSEDODFLBMNPTC-QGZVFWFLSA-N 1 3 357.498 2.773 20 0 FFADHO C[C@]1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000518735632 516756205 /nfs/dbraw/zinc/75/62/05/516756205.db2.gz PQIGBVLAHFXWCN-CUXKYVRBSA-N 1 3 370.541 2.810 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000528968876 516830978 /nfs/dbraw/zinc/83/09/78/516830978.db2.gz OJLSMFCONIRCOM-NHCUHLMSSA-N 1 3 355.526 2.913 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1=CCN(C)CC1 ZINC000528968876 516830986 /nfs/dbraw/zinc/83/09/86/516830986.db2.gz OJLSMFCONIRCOM-NHCUHLMSSA-N 1 3 355.526 2.913 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000561976477 516856633 /nfs/dbraw/zinc/85/66/33/516856633.db2.gz HYNPPNRIRSANPY-HZPDHXFCSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000561976477 516856637 /nfs/dbraw/zinc/85/66/37/516856637.db2.gz HYNPPNRIRSANPY-HZPDHXFCSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c1 ZINC000561976477 516856648 /nfs/dbraw/zinc/85/66/48/516856648.db2.gz HYNPPNRIRSANPY-HZPDHXFCSA-N 1 3 363.502 2.741 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000519151282 516903524 /nfs/dbraw/zinc/90/35/24/516903524.db2.gz OQFJKVGIBBTION-WAOWUJCRSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000514213186 516906109 /nfs/dbraw/zinc/90/61/09/516906109.db2.gz DVDIOLVFOPWIAC-RTBURBONSA-N 1 3 360.546 2.786 20 0 FFADHO CC[NH+]1CCC(N(C)C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000519233956 516932619 /nfs/dbraw/zinc/93/26/19/516932619.db2.gz DYBVGHYIWPAJIB-UHFFFAOYSA-N 1 3 372.557 2.773 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000525290724 516994840 /nfs/dbraw/zinc/99/48/40/516994840.db2.gz GBFFVGUAFZJGMD-KPFFTGBYSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000525290724 516994848 /nfs/dbraw/zinc/99/48/48/516994848.db2.gz GBFFVGUAFZJGMD-KPFFTGBYSA-N 1 3 374.529 2.614 20 0 FFADHO Cn1nccc1-c1ccccc1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000552042586 517047281 /nfs/dbraw/zinc/04/72/81/517047281.db2.gz OAEYOLCOVWWIFL-UHFFFAOYSA-N 1 3 367.541 2.547 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529301708 517063127 /nfs/dbraw/zinc/06/31/27/517063127.db2.gz VGKMSXMHEQSZEX-DOTOQJQBSA-N 1 3 362.543 2.544 20 0 FFADHO CCc1nc(C(C)C)ccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000559144743 517097977 /nfs/dbraw/zinc/09/79/77/517097977.db2.gz UIEDNCAXBQEMBX-UHFFFAOYSA-N 1 3 360.546 2.657 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@H](C)CN1 ZINC000529387876 517118108 /nfs/dbraw/zinc/11/81/08/517118108.db2.gz QIYBWGRXOLOAJY-HSMVNMDESA-N 1 3 373.328 2.988 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000529387876 517118117 /nfs/dbraw/zinc/11/81/17/517118117.db2.gz QIYBWGRXOLOAJY-HSMVNMDESA-N 1 3 373.328 2.988 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000552210486 517143328 /nfs/dbraw/zinc/14/33/28/517143328.db2.gz GLEFMGBGQGSVEY-XIRDDKMYSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000552210486 517143332 /nfs/dbraw/zinc/14/33/32/517143332.db2.gz GLEFMGBGQGSVEY-XIRDDKMYSA-N 1 3 351.922 2.832 20 0 FFADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000537406927 517174863 /nfs/dbraw/zinc/17/48/63/517174863.db2.gz KWKAVTQJUNYSKG-RTWAWAEBSA-N 1 3 373.541 2.805 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000515073790 517201667 /nfs/dbraw/zinc/20/16/67/517201667.db2.gz KHFCWMPRULPUTN-UHFFFAOYSA-N 1 3 350.551 2.626 20 0 FFADHO CN(CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000541854926 517252994 /nfs/dbraw/zinc/25/29/94/517252994.db2.gz DVGXNPFZUFALDL-FQEVSTJZSA-N 1 3 366.509 2.589 20 0 FFADHO CN(CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000541854926 517253001 /nfs/dbraw/zinc/25/30/01/517253001.db2.gz DVGXNPFZUFALDL-FQEVSTJZSA-N 1 3 366.509 2.589 20 0 FFADHO CN1CC[C@@H](CNC[C@@H](O)C[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515235243 517265259 /nfs/dbraw/zinc/26/52/59/517265259.db2.gz XMIIECHJISJISL-ZSZQSSIHSA-N 1 3 369.912 2.517 20 0 FFADHO CN1CC[C@@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515235243 517265266 /nfs/dbraw/zinc/26/52/66/517265266.db2.gz XMIIECHJISJISL-ZSZQSSIHSA-N 1 3 369.912 2.517 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CCN1Cc1ccccc1 ZINC000515244568 517270152 /nfs/dbraw/zinc/27/01/52/517270152.db2.gz ACMIROYPZVUYAB-PMXSJFBMSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CCN1Cc1ccccc1 ZINC000515244568 517270159 /nfs/dbraw/zinc/27/01/59/517270159.db2.gz ACMIROYPZVUYAB-PMXSJFBMSA-N 1 3 370.541 2.775 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1N1CCCC1 ZINC000520251764 517319776 /nfs/dbraw/zinc/31/97/76/517319776.db2.gz MBCARDOGJSDHKN-VAMGGRTRSA-N 1 3 373.566 2.547 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1N1CCCC1 ZINC000520251764 517319781 /nfs/dbraw/zinc/31/97/81/517319781.db2.gz MBCARDOGJSDHKN-VAMGGRTRSA-N 1 3 373.566 2.547 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000520253859 517320372 /nfs/dbraw/zinc/32/03/72/517320372.db2.gz BLXFXFPUESGMEZ-KBPBESRZSA-N 1 3 355.324 2.521 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000520377880 517367886 /nfs/dbraw/zinc/36/78/86/517367886.db2.gz SWCOBSJMONDFSC-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000520377880 517367892 /nfs/dbraw/zinc/36/78/92/517367892.db2.gz SWCOBSJMONDFSC-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140991 517402603 /nfs/dbraw/zinc/40/26/03/517402603.db2.gz VGTPUANBFDBQPO-JKSUJKDBSA-N 1 3 372.513 2.684 20 0 FFADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140991 517402613 /nfs/dbraw/zinc/40/26/13/517402613.db2.gz VGTPUANBFDBQPO-JKSUJKDBSA-N 1 3 372.513 2.684 20 0 FFADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140991 517402621 /nfs/dbraw/zinc/40/26/21/517402621.db2.gz VGTPUANBFDBQPO-JKSUJKDBSA-N 1 3 372.513 2.684 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000562818973 517431190 /nfs/dbraw/zinc/43/11/90/517431190.db2.gz TURVWRSULRFUTL-XUVXKRRUSA-N 1 3 370.541 2.810 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000562821183 517434115 /nfs/dbraw/zinc/43/41/15/517434115.db2.gz YIAFJEUAYVVZJT-GUDVDZBRSA-N 1 3 358.530 2.584 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCN1C ZINC000559891070 517473632 /nfs/dbraw/zinc/47/36/32/517473632.db2.gz MZAWUCSVKJGCGC-BAGYTPMASA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000559922208 517489401 /nfs/dbraw/zinc/48/94/01/517489401.db2.gz QLQOJGUWGFAOBT-GJZGRUSLSA-N 1 3 370.335 2.853 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000553037937 517494478 /nfs/dbraw/zinc/49/44/78/517494478.db2.gz MKWWGDWZGKAUAW-GOSISDBHSA-N 1 3 367.603 2.784 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000520754413 517499675 /nfs/dbraw/zinc/49/96/75/517499675.db2.gz UHSZIHOXSASEQO-KDURUIRLSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000520754413 517499687 /nfs/dbraw/zinc/49/96/87/517499687.db2.gz UHSZIHOXSASEQO-KDURUIRLSA-N 1 3 372.557 2.997 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000560056254 517555321 /nfs/dbraw/zinc/55/53/21/517555321.db2.gz GQQDFYAXOSUYJY-MJGOQNOKSA-N 1 3 358.530 2.983 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(OC)c1 ZINC000562989635 517562043 /nfs/dbraw/zinc/56/20/43/517562043.db2.gz OUKCUYVBKIOGKT-AZDNCTHESA-N 1 3 362.514 2.930 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@H](C)CC(=O)OCC)CC1 ZINC000542483869 517588055 /nfs/dbraw/zinc/58/80/55/517588055.db2.gz RVVCLJLDYXPVNA-GOSISDBHSA-N 1 3 361.530 2.992 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@H](C)CC(=O)OCC)CC1 ZINC000542483869 517588059 /nfs/dbraw/zinc/58/80/59/517588059.db2.gz RVVCLJLDYXPVNA-GOSISDBHSA-N 1 3 361.530 2.992 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000521068701 517602870 /nfs/dbraw/zinc/60/28/70/517602870.db2.gz GEAIITFXSJLOIU-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000521068701 517602879 /nfs/dbraw/zinc/60/28/79/517602879.db2.gz GEAIITFXSJLOIU-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000533768103 517603433 /nfs/dbraw/zinc/60/34/33/517603433.db2.gz VUBUINAGVPVCOH-GOSISDBHSA-N 1 3 374.529 2.823 20 0 FFADHO OCc1ccc(F)c(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000530223069 517637130 /nfs/dbraw/zinc/63/71/30/517637130.db2.gz MISXVASHYFYOJU-UHFFFAOYSA-N 1 3 372.488 2.888 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000521271354 517677148 /nfs/dbraw/zinc/67/71/48/517677148.db2.gz GSRUQKLSAYPMJO-IMJJTQAJSA-N 1 3 355.320 2.768 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000521271354 517677158 /nfs/dbraw/zinc/67/71/58/517677158.db2.gz GSRUQKLSAYPMJO-IMJJTQAJSA-N 1 3 355.320 2.768 20 0 FFADHO CC[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)N1CCc2ccccc2C1 ZINC000542782178 517737312 /nfs/dbraw/zinc/73/73/12/517737312.db2.gz AUMVOWDKOCQAPB-FQEVSTJZSA-N 1 3 366.509 2.861 20 0 FFADHO Cn1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(-c2cccs2)n1 ZINC000556964132 517777508 /nfs/dbraw/zinc/77/75/08/517777508.db2.gz FOZCLYDELVSERT-APWZRJJASA-N 1 3 360.527 2.867 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000557133869 517873852 /nfs/dbraw/zinc/87/38/52/517873852.db2.gz BROYNKWFRLQWBS-VQTJNVASSA-N 1 3 370.541 2.511 20 0 FFADHO Cc1ncc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1-c1ccccc1 ZINC000563460806 517917546 /nfs/dbraw/zinc/91/75/46/517917546.db2.gz TXASPPVWDVIVLU-SFTDATJTSA-N 1 3 354.498 2.899 20 0 FFADHO NC[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000557223941 517927041 /nfs/dbraw/zinc/92/70/41/517927041.db2.gz OIIVNXXKWGTVAF-PZJWPPBQSA-N 1 3 352.482 2.625 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[C@H]1C[NH3+] ZINC000557231747 517929345 /nfs/dbraw/zinc/92/93/45/517929345.db2.gz AHQONCSXTMFPCE-IEBWSBKVSA-N 1 3 358.530 2.667 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H]1c1ccccc1 ZINC000527830874 517941816 /nfs/dbraw/zinc/94/18/16/517941816.db2.gz GALZFSCBEVMICY-UFYCRDLUSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)[C@@H]1c1ccccc1 ZINC000527830874 517941824 /nfs/dbraw/zinc/94/18/24/517941824.db2.gz GALZFSCBEVMICY-UFYCRDLUSA-N 1 3 356.514 2.748 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC000522077614 517977770 /nfs/dbraw/zinc/97/77/70/517977770.db2.gz PBDNBVTURYEQML-NHCUHLMSSA-N 1 3 372.557 2.818 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000563588112 518002883 /nfs/dbraw/zinc/00/28/83/518002883.db2.gz LHYJFKCXNBVTSH-SLYNCCJLSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000522175960 518016932 /nfs/dbraw/zinc/01/69/32/518016932.db2.gz OQTCEDRJZQLROG-WSTZPKSXSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000522175960 518016939 /nfs/dbraw/zinc/01/69/39/518016939.db2.gz OQTCEDRJZQLROG-WSTZPKSXSA-N 1 3 358.530 2.530 20 0 FFADHO C[NH+](C)CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000522191608 518025320 /nfs/dbraw/zinc/02/53/20/518025320.db2.gz UTDSURXRAPHABR-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000557494064 518035784 /nfs/dbraw/zinc/03/57/84/518035784.db2.gz IJFPNBUVGHXKIN-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000560877124 518069873 /nfs/dbraw/zinc/06/98/73/518069873.db2.gz OGUCXILTQYPKJC-QZTJIDSGSA-N 1 3 361.530 2.725 20 0 FFADHO C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000554142563 518081681 /nfs/dbraw/zinc/08/16/81/518081681.db2.gz TVBRYZDPFKCKTB-CVDCTZTESA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000554142563 518081690 /nfs/dbraw/zinc/08/16/90/518081690.db2.gz TVBRYZDPFKCKTB-CVDCTZTESA-N 1 3 369.553 2.884 20 0 FFADHO CC1CCC(N2CCN(C(=O)c3ccccc3OCC[NH+](C)C)CC2)CC1 ZINC000522349570 518083143 /nfs/dbraw/zinc/08/31/43/518083143.db2.gz SREVAAWDJOEMBO-UHFFFAOYSA-N 1 3 373.541 2.964 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000543474588 518109641 /nfs/dbraw/zinc/10/96/41/518109641.db2.gz IYQJCOHPEKTLTA-RYRKJORJSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000543474592 518110118 /nfs/dbraw/zinc/11/01/18/518110118.db2.gz IYQJCOHPEKTLTA-SOLBZPMBSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000517367368 518130844 /nfs/dbraw/zinc/13/08/44/518130844.db2.gz JUIZLBFHIDWJEX-FCEWJHQRSA-N 1 3 360.546 2.884 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCOc2ccccc21 ZINC000522761226 518160228 /nfs/dbraw/zinc/16/02/28/518160228.db2.gz ISLXXGGMYXYJND-MOPGFXCFSA-N 1 3 373.541 2.817 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCOc2ccccc21 ZINC000522761226 518160230 /nfs/dbraw/zinc/16/02/30/518160230.db2.gz ISLXXGGMYXYJND-MOPGFXCFSA-N 1 3 373.541 2.817 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000528287403 518165169 /nfs/dbraw/zinc/16/51/69/518165169.db2.gz QTCNRVHCRRSWHX-OAQYLSRUSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000528287403 518165171 /nfs/dbraw/zinc/16/51/71/518165171.db2.gz QTCNRVHCRRSWHX-OAQYLSRUSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539811109 518165809 /nfs/dbraw/zinc/16/58/09/518165809.db2.gz HRHBIDOWYXKZAM-SXLOBPIMSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539811109 518165814 /nfs/dbraw/zinc/16/58/14/518165814.db2.gz HRHBIDOWYXKZAM-SXLOBPIMSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCCC1 ZINC000522830377 518168316 /nfs/dbraw/zinc/16/83/16/518168316.db2.gz KPWKFEDCNUPSGJ-QUCCMNQESA-N 1 3 358.530 2.532 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000572499482 518221552 /nfs/dbraw/zinc/22/15/52/518221552.db2.gz ASFZKYRJRJCYII-NEWSRXKRSA-N 1 3 358.530 2.584 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000572503451 518223321 /nfs/dbraw/zinc/22/33/21/518223321.db2.gz WBYSIJHIRQGYFI-YADHBBJMSA-N 1 3 358.574 2.829 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)c1ccco1 ZINC000581330333 518233082 /nfs/dbraw/zinc/23/30/82/518233082.db2.gz XZLYAHLAVJBQIN-KVSKMBFKSA-N 1 3 365.518 2.618 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+]C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000569685973 518239511 /nfs/dbraw/zinc/23/95/11/518239511.db2.gz BCNDGZMCYIYRGA-MRXNPFEDSA-N 1 3 360.420 2.810 20 0 FFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H](CN)c3ccc(F)cc3)C2)nc1 ZINC000569727763 518260403 /nfs/dbraw/zinc/26/04/03/518260403.db2.gz TXPQCPLIOZHJKT-MSOLQXFVSA-N 1 3 370.472 2.922 20 0 FFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H](CN)c3ccc(F)cc3)C2)nc1 ZINC000569727763 518260407 /nfs/dbraw/zinc/26/04/07/518260407.db2.gz TXPQCPLIOZHJKT-MSOLQXFVSA-N 1 3 370.472 2.922 20 0 FFADHO CCO[C@@H](CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000578546852 518261591 /nfs/dbraw/zinc/26/15/91/518261591.db2.gz QQLHYLLYXFTJJY-FQEVSTJZSA-N 1 3 367.578 2.750 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCCC[NH3+] ZINC000566912403 518262424 /nfs/dbraw/zinc/26/24/24/518262424.db2.gz AICKBAROPVCKCI-GOSISDBHSA-N 1 3 355.486 2.706 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000581423407 518277330 /nfs/dbraw/zinc/27/73/30/518277330.db2.gz KYYPIBGDKLVRJW-IMJJTQAJSA-N 1 3 360.527 2.607 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000566962978 518285916 /nfs/dbraw/zinc/28/59/16/518285916.db2.gz JHUGJYMRDKOWOI-SFHVURJKSA-N 1 3 358.530 2.943 20 0 FFADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000564081117 518298423 /nfs/dbraw/zinc/29/84/23/518298423.db2.gz KKWMEAUBHPILNF-HNNXBMFYSA-N 1 3 367.921 2.688 20 0 FFADHO CN(C)C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000572703825 518320625 /nfs/dbraw/zinc/32/06/25/518320625.db2.gz OPCJFBVIUWAFPE-IBGZPJMESA-N 1 3 356.445 2.896 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000584409376 518327203 /nfs/dbraw/zinc/32/72/03/518327203.db2.gz OEJFPPHTYKVQSM-UHFFFAOYSA-N 1 3 354.498 2.855 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000575920632 518344137 /nfs/dbraw/zinc/34/41/37/518344137.db2.gz FQATVVMJXIFEGA-UWJYYQICSA-N 1 3 366.509 2.855 20 0 FFADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000575970624 518367142 /nfs/dbraw/zinc/36/71/42/518367142.db2.gz GQHUGMNGCILXHS-LPHOPBHVSA-N 1 3 374.529 2.950 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000564322515 518399295 /nfs/dbraw/zinc/39/92/95/518399295.db2.gz RLIGQWVDOFJPFG-QGZVFWFLSA-N 1 3 359.436 2.622 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581776127 518449072 /nfs/dbraw/zinc/44/90/72/518449072.db2.gz HZJCDXPAAGNSKW-IYWMVGAKSA-N 1 3 356.514 2.511 20 0 FFADHO CC1CC[NH+](Cc2ccc(NC(=O)c3ccn(CCN(C)C)n3)cc2)CC1 ZINC000572983233 518452447 /nfs/dbraw/zinc/45/24/47/518452447.db2.gz LHPRSULZJUDTKY-UHFFFAOYSA-N 1 3 369.513 2.929 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCC([C@@H]3CC[NH2+]C3)CC2)C2CC2)cc1 ZINC000573001235 518460389 /nfs/dbraw/zinc/46/03/89/518460389.db2.gz IMLODGLBORFASX-HXUWFJFHSA-N 1 3 355.526 2.808 20 0 FFADHO CCN(C[C@@H]1CCCN1CC)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000570142673 518460987 /nfs/dbraw/zinc/46/09/87/518460987.db2.gz JSFNEHTYGNSRBV-ROUUACIJSA-N 1 3 353.576 2.537 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000567356943 518483279 /nfs/dbraw/zinc/48/32/79/518483279.db2.gz FIJKHLJNUWXNSH-SFHVURJKSA-N 1 3 360.502 2.767 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000581884969 518486649 /nfs/dbraw/zinc/48/66/49/518486649.db2.gz VWBKJSPLCQYYGI-HDICACEKSA-N 1 3 373.516 2.685 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000567365047 518487822 /nfs/dbraw/zinc/48/78/22/518487822.db2.gz FXLRTJMCUOJSRN-HBMCJLEFSA-N 1 3 373.541 2.814 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000564566923 518506181 /nfs/dbraw/zinc/50/61/81/518506181.db2.gz IJPASZJNAMORCK-VQTJNVASSA-N 1 3 352.482 2.517 20 0 FFADHO CNc1cc(Cl)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000564583976 518513967 /nfs/dbraw/zinc/51/39/67/518513967.db2.gz HFVTXIOVQMPZIZ-UHFFFAOYSA-N 1 3 364.921 2.670 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@H](C)CN1 ZINC000564640970 518539584 /nfs/dbraw/zinc/53/95/84/518539584.db2.gz LZZKFMXAEXPWFA-IAGOWNOFSA-N 1 3 360.502 2.765 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000570422916 518600043 /nfs/dbraw/zinc/60/00/43/518600043.db2.gz RETVSPRUCWUPBQ-SFHVURJKSA-N 1 3 373.545 2.648 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@H]3CCCC[C@H]3C[NH3+])c2)C1=O ZINC000567639640 518627998 /nfs/dbraw/zinc/62/79/98/518627998.db2.gz BDQFZSBQNNLMHH-UQASEVPWSA-N 1 3 370.497 2.519 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000576582169 518662134 /nfs/dbraw/zinc/66/21/34/518662134.db2.gz STYUJWXLPBYHHF-UONOGXRCSA-N 1 3 374.451 2.904 20 0 FFADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000576582167 518663003 /nfs/dbraw/zinc/66/30/03/518663003.db2.gz STYUJWXLPBYHHF-KGLIPLIRSA-N 1 3 374.451 2.904 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000570566722 518670912 /nfs/dbraw/zinc/67/09/12/518670912.db2.gz HDNXVUOZMDJTBG-AZUAARDMSA-N 1 3 358.530 2.670 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000582290782 518681600 /nfs/dbraw/zinc/68/16/00/518681600.db2.gz GHWWXMUTTFBFTM-UHFFFAOYSA-N 1 3 360.546 2.725 20 0 FFADHO C[C@H](NC[C@H](CO)Cc1ccccc1OC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000579461816 518691923 /nfs/dbraw/zinc/69/19/23/518691923.db2.gz XVHYSGXJJVITAC-SQWLQELKSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@H](NC[C@H](CO)Cc1ccccc1OC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000579461814 518692020 /nfs/dbraw/zinc/69/20/20/518692020.db2.gz XVHYSGXJJVITAC-LZWOXQAQSA-N 1 3 360.420 2.714 20 0 FFADHO CC(C)[NH2+]CCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000564934218 518703332 /nfs/dbraw/zinc/70/33/32/518703332.db2.gz FCPYEVKJEPVYSS-UHFFFAOYSA-N 1 3 359.436 2.984 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000570633032 518703986 /nfs/dbraw/zinc/70/39/86/518703986.db2.gz WHDULBODGLGTBS-OALUTQOASA-N 1 3 371.525 2.508 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000567818368 518729866 /nfs/dbraw/zinc/72/98/66/518729866.db2.gz YADAXVLXWWXDIZ-IIBYNOLFSA-N 1 3 364.493 2.610 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000564988633 518731502 /nfs/dbraw/zinc/73/15/02/518731502.db2.gz KDJYTVJWCCSOID-RTWAWAEBSA-N 1 3 371.525 2.641 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C(C)C)cc1 ZINC000564988366 518732564 /nfs/dbraw/zinc/73/25/64/518732564.db2.gz GBCUOHWYUJWZEY-WOIUINJBSA-N 1 3 373.541 2.830 20 0 FFADHO CSc1ccccc1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000582399245 518732636 /nfs/dbraw/zinc/73/26/36/518732636.db2.gz YAYGRXCVWJPJRD-HNNXBMFYSA-N 1 3 352.548 2.604 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000579572031 518745037 /nfs/dbraw/zinc/74/50/37/518745037.db2.gz VELQDENGQNYABY-DYESRHJHSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CCN1Cc1ccccc1 ZINC000576779544 518759614 /nfs/dbraw/zinc/75/96/14/518759614.db2.gz PFMZJKLXKYTCHW-JYRKZWEQSA-N 1 3 370.541 2.918 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)[C@H]1c1cccs1 ZINC000573667721 518776795 /nfs/dbraw/zinc/77/67/95/518776795.db2.gz WZIBCFZNLDSEHO-UXLLHSPISA-N 1 3 350.532 2.572 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000570911181 518838817 /nfs/dbraw/zinc/83/88/17/518838817.db2.gz NZSZNTOMQNJNTH-IAGOWNOFSA-N 1 3 368.591 2.555 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000570940967 518853254 /nfs/dbraw/zinc/85/32/54/518853254.db2.gz YHXMSQBUZBLRTB-WBVHZDCISA-N 1 3 355.320 2.626 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000570940967 518853259 /nfs/dbraw/zinc/85/32/59/518853259.db2.gz YHXMSQBUZBLRTB-WBVHZDCISA-N 1 3 355.320 2.626 20 0 FFADHO CCCOc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000579837513 518881373 /nfs/dbraw/zinc/88/13/73/518881373.db2.gz GFSOAFXKFAMWIK-ICSRJNTNSA-N 1 3 359.514 2.556 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000568129303 518888113 /nfs/dbraw/zinc/88/81/13/518888113.db2.gz PDOYVISBEOCSIB-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000573902500 518891551 /nfs/dbraw/zinc/89/15/51/518891551.db2.gz ZZQLGTJXYKRLOI-ICSRJNTNSA-N 1 3 355.482 2.962 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000573905277 518892269 /nfs/dbraw/zinc/89/22/69/518892269.db2.gz HBKAGHJKBWFUIV-ICSRJNTNSA-N 1 3 360.546 2.868 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000573905279 518892507 /nfs/dbraw/zinc/89/25/07/518892507.db2.gz HBKAGHJKBWFUIV-UYAOXDASSA-N 1 3 360.546 2.868 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000573904935 518892776 /nfs/dbraw/zinc/89/27/76/518892776.db2.gz OWCUHAGGOJQGBL-HYUQFDPSSA-N 1 3 370.541 2.856 20 0 FFADHO [NH3+]C[C@H]1CN(Cc2cccc(OCc3ccccn3)c2)CC12CCOCC2 ZINC000571046501 518902117 /nfs/dbraw/zinc/90/21/17/518902117.db2.gz IRTHWZKPEGJTHN-IBGZPJMESA-N 1 3 367.493 2.848 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1=CCN(C)CC1 ZINC000573957115 518918074 /nfs/dbraw/zinc/91/80/74/518918074.db2.gz OGLMQIVNFJRUFI-IUODEOHRSA-N 1 3 359.297 2.973 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000582784306 518922540 /nfs/dbraw/zinc/92/25/40/518922540.db2.gz FRTKYRZYJIBAIP-JFIYKMOQSA-N 1 3 355.486 2.560 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000589210477 518953166 /nfs/dbraw/zinc/95/31/66/518953166.db2.gz ZRSAITALDMEKNV-PXNSSMCTSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000589210477 518953170 /nfs/dbraw/zinc/95/31/70/518953170.db2.gz ZRSAITALDMEKNV-PXNSSMCTSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000589220811 518954250 /nfs/dbraw/zinc/95/42/50/518954250.db2.gz WKGUOZJTYGSYNQ-LJQANCHMSA-N 1 3 360.546 2.943 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000589220811 518954255 /nfs/dbraw/zinc/95/42/55/518954255.db2.gz WKGUOZJTYGSYNQ-LJQANCHMSA-N 1 3 360.546 2.943 20 0 FFADHO COc1cc(OC)c(OC)cc1CNCC1(SC)CC[NH+](C)CC1 ZINC000589325411 518981660 /nfs/dbraw/zinc/98/16/60/518981660.db2.gz KYXNOPXTZMHSJW-UHFFFAOYSA-N 1 3 354.516 2.629 20 0 FFADHO Cn1nccc1-c1ccccc1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000574225979 519049084 /nfs/dbraw/zinc/04/90/84/519049084.db2.gz GJHOFIDSLASGOA-FGZHOGPDSA-N 1 3 368.525 2.945 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000580323902 519119628 /nfs/dbraw/zinc/11/96/28/519119628.db2.gz OBHHZOUVYPAYIO-DAYGRLMNSA-N 1 3 350.507 2.502 20 0 FFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000571549890 519153286 /nfs/dbraw/zinc/15/32/86/519153286.db2.gz DGSQGLRSLVKLSS-YPAWHYETSA-N 1 3 368.525 2.778 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000577750243 519238160 /nfs/dbraw/zinc/23/81/60/519238160.db2.gz BCCMZLAJPWIBSS-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577827966 519275176 /nfs/dbraw/zinc/27/51/76/519275176.db2.gz DFZINKBPPDOUSJ-IAGOWNOFSA-N 1 3 365.543 2.609 20 0 FFADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577827966 519275179 /nfs/dbraw/zinc/27/51/79/519275179.db2.gz DFZINKBPPDOUSJ-IAGOWNOFSA-N 1 3 365.543 2.609 20 0 FFADHO CCc1cccc(OC[C@@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000571790657 519277088 /nfs/dbraw/zinc/27/70/88/519277088.db2.gz YFCCGDGFJVKYOD-NRFANRHFSA-N 1 3 369.509 2.890 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C1 ZINC000571890623 519333029 /nfs/dbraw/zinc/33/30/29/519333029.db2.gz SGVBUDJZRHVPRC-RTBURBONSA-N 1 3 358.461 2.934 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000580763254 519346516 /nfs/dbraw/zinc/34/65/16/519346516.db2.gz GLSQCWISJTUDSI-IMFGXOCKSA-N 1 3 358.530 2.511 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566190728 519360658 /nfs/dbraw/zinc/36/06/58/519360658.db2.gz IHIDHBAIIIXPHH-QRWLVFNGSA-N 1 3 370.472 2.605 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000572013164 519397094 /nfs/dbraw/zinc/39/70/94/519397094.db2.gz LWPRYTATDOWJIZ-JZXOWHBKSA-N 1 3 364.559 2.871 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2scnc2C)CC1 ZINC000569171351 519411063 /nfs/dbraw/zinc/41/10/63/519411063.db2.gz DWOFINLYMZALOR-UHFFFAOYSA-N 1 3 352.548 2.512 20 0 FFADHO C[N@H+](C[C@H](O)CNCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000583747880 519414216 /nfs/dbraw/zinc/41/42/16/519414216.db2.gz IKNWQLTXCCALFN-MRXNPFEDSA-N 1 3 353.304 2.525 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC1(c2cccc(Br)c2)CC1)C1CC1 ZINC000583747880 519414220 /nfs/dbraw/zinc/41/42/20/519414220.db2.gz IKNWQLTXCCALFN-MRXNPFEDSA-N 1 3 353.304 2.525 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000566294978 519418953 /nfs/dbraw/zinc/41/89/53/519418953.db2.gz IBXNENQZKSBSJZ-UHFFFAOYSA-N 1 3 366.509 2.606 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN4CCC3CC4)c2)CC1 ZINC000572190180 519487380 /nfs/dbraw/zinc/48/73/80/519487380.db2.gz WGYATIQNAVVGJQ-UHFFFAOYSA-N 1 3 370.541 2.908 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000569334059 519498654 /nfs/dbraw/zinc/49/86/54/519498654.db2.gz VYMXVUXBUGXLBR-AEFFLSMTSA-N 1 3 362.543 2.740 20 0 FFADHO C[C@H](Cc1cc(Br)ccc1F)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000583929294 519504753 /nfs/dbraw/zinc/50/47/53/519504753.db2.gz APJSSZBKROZKCX-ABAIWWIYSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@H](Cc1cc(Br)ccc1F)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000583929294 519504761 /nfs/dbraw/zinc/50/47/61/519504761.db2.gz APJSSZBKROZKCX-ABAIWWIYSA-N 1 3 359.283 2.564 20 0 FFADHO CN(CCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)Cc1ccncc1 ZINC000581082660 519515087 /nfs/dbraw/zinc/51/50/87/519515087.db2.gz SNBUIOHVMBZNSM-UHFFFAOYSA-N 1 3 368.525 2.780 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000581091255 519518901 /nfs/dbraw/zinc/51/89/01/519518901.db2.gz GZYCEABOQZURAG-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO OC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000583990002 519537161 /nfs/dbraw/zinc/53/71/61/519537161.db2.gz YVOBJIIUKZJVOH-FQEVSTJZSA-N 1 3 358.526 2.810 20 0 FFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000566549119 519544961 /nfs/dbraw/zinc/54/49/61/519544961.db2.gz BIECTFMJQLTKII-FQEVSTJZSA-N 1 3 371.525 2.575 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C12CCCC2 ZINC000584020843 519549889 /nfs/dbraw/zinc/54/98/89/519549889.db2.gz VPFAORCWDMYSTO-HSALFYBXSA-N 1 3 373.541 2.733 20 0 FFADHO CSC1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCN(C)CC1 ZINC000584086355 519581841 /nfs/dbraw/zinc/58/18/41/519581841.db2.gz FORCWTDRRZMIDN-UHFFFAOYSA-N 1 3 370.607 2.769 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000575320675 519586578 /nfs/dbraw/zinc/58/65/78/519586578.db2.gz DLQTVDXDUMUKSF-HOTGVXAUSA-N 1 3 352.548 2.913 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000575320675 519586583 /nfs/dbraw/zinc/58/65/83/519586583.db2.gz DLQTVDXDUMUKSF-HOTGVXAUSA-N 1 3 352.548 2.913 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000608656365 520068520 /nfs/dbraw/zinc/06/85/20/520068520.db2.gz MRUFGQROKDYERE-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000608656365 520068527 /nfs/dbraw/zinc/06/85/27/520068527.db2.gz MRUFGQROKDYERE-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000612813569 520162707 /nfs/dbraw/zinc/16/27/07/520162707.db2.gz GREVVQVWYXFLAZ-LEWJYISDSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000612813569 520162716 /nfs/dbraw/zinc/16/27/16/520162716.db2.gz GREVVQVWYXFLAZ-LEWJYISDSA-N 1 3 370.541 2.839 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000612909545 520215074 /nfs/dbraw/zinc/21/50/74/520215074.db2.gz NVZPWCFADZPXTB-WMZOPIPTSA-N 1 3 352.910 2.774 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612987793 520258198 /nfs/dbraw/zinc/25/81/98/520258198.db2.gz NSKNPVWUPQURHL-WOJBJXKFSA-N 1 3 372.557 2.929 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000603907486 520400358 /nfs/dbraw/zinc/40/03/58/520400358.db2.gz DUWICCFDOATSNI-RTBURBONSA-N 1 3 373.541 2.964 20 0 FFADHO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504212 520537510 /nfs/dbraw/zinc/53/75/10/520537510.db2.gz LCCOMNCYZDTTDE-INIZCTEOSA-N 1 3 370.541 2.782 20 0 FFADHO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504212 520537515 /nfs/dbraw/zinc/53/75/15/520537515.db2.gz LCCOMNCYZDTTDE-INIZCTEOSA-N 1 3 370.541 2.782 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1coc(C2CCCCC2)n1 ZINC000617507313 520545714 /nfs/dbraw/zinc/54/57/14/520545714.db2.gz RHXCJTHXCWMROL-HNNXBMFYSA-N 1 3 350.507 2.724 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1coc(C2CCCCC2)n1 ZINC000617507313 520545718 /nfs/dbraw/zinc/54/57/18/520545718.db2.gz RHXCJTHXCWMROL-HNNXBMFYSA-N 1 3 350.507 2.724 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC000617507638 520545936 /nfs/dbraw/zinc/54/59/36/520545936.db2.gz DHRVRQFWDKHLIJ-ROUUACIJSA-N 1 3 370.541 2.802 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC000617507638 520545938 /nfs/dbraw/zinc/54/59/38/520545938.db2.gz DHRVRQFWDKHLIJ-ROUUACIJSA-N 1 3 370.541 2.802 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc(Cl)c1Cl ZINC000617507006 520546118 /nfs/dbraw/zinc/54/61/18/520546118.db2.gz FEBHMXWOTHMRQJ-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc(Cl)c1Cl ZINC000617507006 520546122 /nfs/dbraw/zinc/54/61/22/520546122.db2.gz FEBHMXWOTHMRQJ-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000595650523 520622770 /nfs/dbraw/zinc/62/27/70/520622770.db2.gz ATEHISFOFHHMRG-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000595650523 520622779 /nfs/dbraw/zinc/62/27/79/520622779.db2.gz ATEHISFOFHHMRG-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000601241543 520702821 /nfs/dbraw/zinc/70/28/21/520702821.db2.gz XAKMETPQBVQLSK-HXUWFJFHSA-N 1 3 356.514 2.661 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000601242679 520705217 /nfs/dbraw/zinc/70/52/17/520705217.db2.gz MYPWLPKCQBAZJQ-RBUKOAKNSA-N 1 3 350.551 2.621 20 0 FFADHO CC(C)[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+]1CCCCC1 ZINC000617978291 520816073 /nfs/dbraw/zinc/81/60/73/520816073.db2.gz XUVZORDRPZHRDV-OAQYLSRUSA-N 1 3 372.557 2.920 20 0 FFADHO CC[C@H]1CN(C)CCCN1C(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000614333208 520914600 /nfs/dbraw/zinc/91/46/00/520914600.db2.gz BTQPGYKNONLWIA-IBGZPJMESA-N 1 3 361.530 2.964 20 0 FFADHO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(OCCN(C)C)c1 ZINC000606589970 521107558 /nfs/dbraw/zinc/10/75/58/521107558.db2.gz RKFGHZROGIJSMZ-KRWDZBQOSA-N 1 3 362.518 2.787 20 0 FFADHO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c(OCCN(C)C)c1 ZINC000606589970 521107559 /nfs/dbraw/zinc/10/75/59/521107559.db2.gz RKFGHZROGIJSMZ-KRWDZBQOSA-N 1 3 362.518 2.787 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000606589386 521107734 /nfs/dbraw/zinc/10/77/34/521107734.db2.gz SZMFKGKKUPZTEO-MRXNPFEDSA-N 1 3 350.507 2.787 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606634987 521114143 /nfs/dbraw/zinc/11/41/43/521114143.db2.gz DPFANSOFOMIPMI-SFHVURJKSA-N 1 3 372.557 2.989 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000606650265 521124470 /nfs/dbraw/zinc/12/44/70/521124470.db2.gz GPOPVUMIVOWZRO-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000606650265 521124474 /nfs/dbraw/zinc/12/44/74/521124474.db2.gz GPOPVUMIVOWZRO-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)[C@H]1CCC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000599386160 521189587 /nfs/dbraw/zinc/18/95/87/521189587.db2.gz RLIJTQDFHOFJLW-GNZRSQJKSA-N 1 3 354.535 2.666 20 0 FFADHO CN(C)[C@H]1CCC[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000599386160 521189594 /nfs/dbraw/zinc/18/95/94/521189594.db2.gz RLIJTQDFHOFJLW-GNZRSQJKSA-N 1 3 354.535 2.666 20 0 FFADHO C[NH+](C)[C@H]1CCCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000599386160 521189600 /nfs/dbraw/zinc/18/96/00/521189600.db2.gz RLIJTQDFHOFJLW-GNZRSQJKSA-N 1 3 354.535 2.666 20 0 FFADHO CCS[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596693961 521226558 /nfs/dbraw/zinc/22/65/58/521226558.db2.gz YVGCFEATNRGOMH-IRXDYDNUSA-N 1 3 358.596 2.576 20 0 FFADHO CCS[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596693961 521226564 /nfs/dbraw/zinc/22/65/64/521226564.db2.gz YVGCFEATNRGOMH-IRXDYDNUSA-N 1 3 358.596 2.576 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000607183539 521290118 /nfs/dbraw/zinc/29/01/18/521290118.db2.gz IYQVOHFVUVXRMM-NQIIRXRSSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000607183539 521290126 /nfs/dbraw/zinc/29/01/26/521290126.db2.gz IYQVOHFVUVXRMM-NQIIRXRSSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000607226535 521299125 /nfs/dbraw/zinc/29/91/25/521299125.db2.gz HNMLUOCICDBENW-SFHVURJKSA-N 1 3 366.937 2.926 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000594101993 521404630 /nfs/dbraw/zinc/40/46/30/521404630.db2.gz FTYIYPPZOQEEER-FCGDIQPGSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000594101993 521404642 /nfs/dbraw/zinc/40/46/42/521404642.db2.gz FTYIYPPZOQEEER-FCGDIQPGSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000608301963 521648677 /nfs/dbraw/zinc/64/86/77/521648677.db2.gz XZWSMKHKSKNOBR-WMZOPIPTSA-N 1 3 362.518 2.964 20 0 FFADHO Cn1ccc([C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2ccc(F)cc2)n1 ZINC000635009354 521865525 /nfs/dbraw/zinc/86/55/25/521865525.db2.gz NCCOXWQAEPJEQF-FQEVSTJZSA-N 1 3 366.444 2.565 20 0 FFADHO Cc1cn2c(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)c(C)nc2s1 ZINC000623449031 522031525 /nfs/dbraw/zinc/03/15/25/522031525.db2.gz XRYHINDKZQYVCM-OKILXGFUSA-N 1 3 350.532 2.992 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000623575874 522131408 /nfs/dbraw/zinc/13/14/08/522131408.db2.gz UAHDLXJXFNRXIN-BDTNDASRSA-N 1 3 363.505 2.723 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000623575874 522131419 /nfs/dbraw/zinc/13/14/19/522131419.db2.gz UAHDLXJXFNRXIN-BDTNDASRSA-N 1 3 363.505 2.723 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000623616615 522163627 /nfs/dbraw/zinc/16/36/27/522163627.db2.gz UVSOWHQYXGPPOO-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000623616615 522163634 /nfs/dbraw/zinc/16/36/34/522163634.db2.gz UVSOWHQYXGPPOO-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH2+]CCOCCN[C@H](c1ccc(OC)cc1Br)C(C)C ZINC000629530819 522299395 /nfs/dbraw/zinc/29/93/95/522299395.db2.gz RZHMDVBETLVUMN-INIZCTEOSA-N 1 3 359.308 2.980 20 0 FFADHO C(c1nc(C2CCCC2)no1)C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000629553770 522308437 /nfs/dbraw/zinc/30/84/37/522308437.db2.gz XMFVPQVAMODNQF-QGZVFWFLSA-N 1 3 360.502 2.503 20 0 FFADHO Cc1ccc(Cl)cc1N1CC[C@@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558791 522311283 /nfs/dbraw/zinc/31/12/83/522311283.db2.gz NLHYZIOVDWFLDD-FUHWJXTLSA-N 1 3 351.922 2.521 20 0 FFADHO CC[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(C(F)(F)F)c1 ZINC000629567830 522321692 /nfs/dbraw/zinc/32/16/92/522321692.db2.gz MOSQVGJXKWIZGU-HZPDHXFCSA-N 1 3 360.420 2.909 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)CN1CCCC1 ZINC000629574046 522324074 /nfs/dbraw/zinc/32/40/74/522324074.db2.gz GCEDWOIPEQAYEU-HUUCEWRRSA-N 1 3 358.313 2.618 20 0 FFADHO CN1CC[C@H](C[NH2+]C[C@H](O)CN2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000629573555 522326669 /nfs/dbraw/zinc/32/66/69/522326669.db2.gz FNQSTSHCMISZPU-GJYPPUQNSA-N 1 3 369.912 2.518 20 0 FFADHO CN1CC[C@H](CNC[C@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000629573555 522326680 /nfs/dbraw/zinc/32/66/80/522326680.db2.gz FNQSTSHCMISZPU-GJYPPUQNSA-N 1 3 369.912 2.518 20 0 FFADHO O[C@@H](CNCCc1c[nH]c2cccc(Br)c12)C[NH+]1CCCC1 ZINC000629579227 522329546 /nfs/dbraw/zinc/32/95/46/522329546.db2.gz CDIWXACRADJBFU-AWEZNQCLSA-N 1 3 366.303 2.519 20 0 FFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H](C)C1 ZINC000624118424 522488400 /nfs/dbraw/zinc/48/84/00/522488400.db2.gz HISMZNSVBZMYGI-SNRMKQJTSA-N 1 3 351.922 2.865 20 0 FFADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H](C)C1 ZINC000624118424 522488409 /nfs/dbraw/zinc/48/84/09/522488409.db2.gz HISMZNSVBZMYGI-SNRMKQJTSA-N 1 3 351.922 2.865 20 0 FFADHO C[C@H](NCc1ccc2oc(=O)n(C)c2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624203144 522539564 /nfs/dbraw/zinc/53/95/64/522539564.db2.gz WCWRUBILJFFUMF-HNNXBMFYSA-N 1 3 369.465 2.923 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000629980108 522565457 /nfs/dbraw/zinc/56/54/57/522565457.db2.gz DEGZYPXRGVPRLE-MRXNPFEDSA-N 1 3 357.420 2.909 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000629980108 522565466 /nfs/dbraw/zinc/56/54/66/522565466.db2.gz DEGZYPXRGVPRLE-MRXNPFEDSA-N 1 3 357.420 2.909 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626978299 522568856 /nfs/dbraw/zinc/56/88/56/522568856.db2.gz BVPMBCUFZSBYBS-RTBURBONSA-N 1 3 356.514 2.797 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N(C)C ZINC000627033392 522604414 /nfs/dbraw/zinc/60/44/14/522604414.db2.gz IJUPKRXWBLVTFE-AGKXRFJRSA-N 1 3 358.530 2.627 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000627237704 522732167 /nfs/dbraw/zinc/73/21/67/522732167.db2.gz JDADHAPQVWSKRF-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000634133577 523204366 /nfs/dbraw/zinc/20/43/66/523204366.db2.gz OPRASQHCWOZOGK-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634133577 523204369 /nfs/dbraw/zinc/20/43/69/523204369.db2.gz OPRASQHCWOZOGK-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3NC(C)=O)CC2)CC1 ZINC000628579803 523613001 /nfs/dbraw/zinc/61/30/01/523613001.db2.gz DOKQVBSJWRWINH-UHFFFAOYSA-N 1 3 372.513 2.780 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)c(OC)c1 ZINC000634733874 523619169 /nfs/dbraw/zinc/61/91/69/523619169.db2.gz QDNGEUAEMIFSED-GJZGRUSLSA-N 1 3 363.502 2.789 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N)n1)CC2 ZINC001164837563 720674619 /nfs/dbraw/zinc/67/46/19/720674619.db2.gz CZIFRUJGNBOXJK-SFHVURJKSA-N 1 3 352.482 2.924 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N)n1)CC2 ZINC001164837563 720674629 /nfs/dbraw/zinc/67/46/29/720674629.db2.gz CZIFRUJGNBOXJK-SFHVURJKSA-N 1 3 352.482 2.924 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000292088347 729719449 /nfs/dbraw/zinc/71/94/49/729719449.db2.gz GMSJCIQGEMVPSQ-WMLDXEAASA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000292088347 729719451 /nfs/dbraw/zinc/71/94/51/729719451.db2.gz GMSJCIQGEMVPSQ-WMLDXEAASA-N 1 3 359.297 2.761 20 0 FFADHO CN(Cc1c(F)cccc1Cl)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639761121 730099308 /nfs/dbraw/zinc/09/93/08/730099308.db2.gz DKKZTKLKIODFCO-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO CN(C)S(=O)(=O)c1cccc(CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000640532527 730158197 /nfs/dbraw/zinc/15/81/97/730158197.db2.gz SUILRZGBSRJUPR-UHFFFAOYSA-N 1 3 367.559 2.635 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCCC[NH+](C)C)c2cccs2)CC1 ZINC000643216560 730284171 /nfs/dbraw/zinc/28/41/71/730284171.db2.gz CZLZJZFUIFBPJJ-MRXNPFEDSA-N 1 3 352.548 2.772 20 0 FFADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000646254359 730646281 /nfs/dbraw/zinc/64/62/81/730646281.db2.gz NHQUIGQXNWSLGQ-CJNGLKHVSA-N 1 3 357.420 2.594 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000647938948 730776196 /nfs/dbraw/zinc/77/61/96/730776196.db2.gz XLSLJBCWRACRDX-OCCSQVGLSA-N 1 3 354.292 2.837 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCc1ccc(Cl)cc1 ZINC000647975152 730778636 /nfs/dbraw/zinc/77/86/36/730778636.db2.gz NMZILJOFOZDFAV-MSOLQXFVSA-N 1 3 363.933 2.710 20 0 FFADHO C[C@H](N)[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1 ZINC000925491410 738510480 /nfs/dbraw/zinc/51/04/80/738510480.db2.gz CMIARIMXYQDZOE-ILZDJORESA-N 1 3 358.555 2.715 20 0 FFADHO c1cc(CN2CCSCC2)cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655742820 731504108 /nfs/dbraw/zinc/50/41/08/731504108.db2.gz BBIJUAJLKZGDFS-HXUWFJFHSA-N 1 3 361.555 2.901 20 0 FFADHO C[C@@]1(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)OCCc2sccc21 ZINC000655768314 731506848 /nfs/dbraw/zinc/50/68/48/731506848.db2.gz VKCMWTHDCTUNBC-LPHOPBHVSA-N 1 3 350.528 2.769 20 0 FFADHO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1OC ZINC000925782470 738529430 /nfs/dbraw/zinc/52/94/30/738529430.db2.gz LSTVOFAZRBLRLE-ZFWWWQNUSA-N 1 3 358.429 2.616 20 0 FFADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCS2 ZINC000925850667 738536472 /nfs/dbraw/zinc/53/64/72/738536472.db2.gz PAEPJRXXJKDCDU-GOEBONIOSA-N 1 3 362.495 2.507 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)F)nc1 ZINC000657864048 731825266 /nfs/dbraw/zinc/82/52/66/731825266.db2.gz JRGPRIMSISQKTH-BBRMVZONSA-N 1 3 354.445 2.613 20 0 FFADHO C[C@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)F)nc1 ZINC000657864048 731825270 /nfs/dbraw/zinc/82/52/70/731825270.db2.gz JRGPRIMSISQKTH-BBRMVZONSA-N 1 3 354.445 2.613 20 0 FFADHO c1c(CN2CCC(c3nnc4n3CCCC4)CC2)sc2c1C[NH2+]CC2 ZINC000873211130 731891536 /nfs/dbraw/zinc/89/15/36/731891536.db2.gz WEFWSZXJWOBZDB-UHFFFAOYSA-N 1 3 357.527 2.701 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659490082 731981865 /nfs/dbraw/zinc/98/18/65/731981865.db2.gz OANINZVONLGPBH-ZWKOTPCHSA-N 1 3 350.551 2.528 20 0 FFADHO COc1cccc(SCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000660157524 732074453 /nfs/dbraw/zinc/07/44/53/732074453.db2.gz UWTGIBFQDOFEOD-YLJYHZDGSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000660157524 732074459 /nfs/dbraw/zinc/07/44/59/732074459.db2.gz UWTGIBFQDOFEOD-YLJYHZDGSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000660157524 732074464 /nfs/dbraw/zinc/07/44/64/732074464.db2.gz UWTGIBFQDOFEOD-YLJYHZDGSA-N 1 3 363.571 2.745 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000660339474 732099234 /nfs/dbraw/zinc/09/92/34/732099234.db2.gz QLGVAPKRZRNLEJ-IRXDYDNUSA-N 1 3 352.548 2.915 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000660339474 732099235 /nfs/dbraw/zinc/09/92/35/732099235.db2.gz QLGVAPKRZRNLEJ-IRXDYDNUSA-N 1 3 352.548 2.915 20 0 FFADHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660660684 732130978 /nfs/dbraw/zinc/13/09/78/732130978.db2.gz AJYHAECQKWQCLD-QFBILLFUSA-N 1 3 352.906 2.806 20 0 FFADHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660660684 732130980 /nfs/dbraw/zinc/13/09/80/732130980.db2.gz AJYHAECQKWQCLD-QFBILLFUSA-N 1 3 352.906 2.806 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000876739215 732274629 /nfs/dbraw/zinc/27/46/29/732274629.db2.gz BLQZGFARRMHOCR-INIZCTEOSA-N 1 3 362.543 2.619 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000662504590 732325579 /nfs/dbraw/zinc/32/55/79/732325579.db2.gz JZZWGRMCBWEUMI-HNNXBMFYSA-N 1 3 355.473 2.866 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCN(C)C1 ZINC000663875083 732507685 /nfs/dbraw/zinc/50/76/85/732507685.db2.gz QTEKQWZQEHHYJC-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCN(C)C1 ZINC000663875083 732507688 /nfs/dbraw/zinc/50/76/88/732507688.db2.gz QTEKQWZQEHHYJC-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2sccc21 ZINC000664691108 732619815 /nfs/dbraw/zinc/61/98/15/732619815.db2.gz YTHLHJWRPAZFTL-GOEBONIOSA-N 1 3 352.548 2.697 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2sccc21 ZINC000664691108 732619817 /nfs/dbraw/zinc/61/98/17/732619817.db2.gz YTHLHJWRPAZFTL-GOEBONIOSA-N 1 3 352.548 2.697 20 0 FFADHO CN1CCN(C2CC[NH+](CCOc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000879595760 732730414 /nfs/dbraw/zinc/73/04/14/732730414.db2.gz DFHXPQCFYGHBMR-UHFFFAOYSA-N 1 3 355.885 2.570 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000665763677 732752926 /nfs/dbraw/zinc/75/29/26/732752926.db2.gz IVWNQHXERGKYEO-RRFJBIMHSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000665763677 732752929 /nfs/dbraw/zinc/75/29/29/732752929.db2.gz IVWNQHXERGKYEO-RRFJBIMHSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000665761661 732753026 /nfs/dbraw/zinc/75/30/26/732753026.db2.gz MARGXDVELHHYDW-UONOGXRCSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000665761661 732753027 /nfs/dbraw/zinc/75/30/27/732753027.db2.gz MARGXDVELHHYDW-UONOGXRCSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCC[NH2+]CC1 ZINC000666857667 732909169 /nfs/dbraw/zinc/90/91/69/732909169.db2.gz DJBYJIMLDDNGEW-OCCSQVGLSA-N 1 3 354.292 2.898 20 0 FFADHO CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000666872362 732910692 /nfs/dbraw/zinc/91/06/92/732910692.db2.gz XJRXQOKAAFOWCX-GJZGRUSLSA-N 1 3 352.527 2.556 20 0 FFADHO CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000666872362 732910698 /nfs/dbraw/zinc/91/06/98/732910698.db2.gz XJRXQOKAAFOWCX-GJZGRUSLSA-N 1 3 352.527 2.556 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1c2c(ccc1Cl)OCC2 ZINC000666970792 732924523 /nfs/dbraw/zinc/92/45/23/732924523.db2.gz DRGWBVWSJQQQPW-ZDUSSCGKSA-N 1 3 368.909 2.668 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1c2c(ccc1Cl)OCC2 ZINC000666970792 732924525 /nfs/dbraw/zinc/92/45/25/732924525.db2.gz DRGWBVWSJQQQPW-ZDUSSCGKSA-N 1 3 368.909 2.668 20 0 FFADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000668660899 733150620 /nfs/dbraw/zinc/15/06/20/733150620.db2.gz FNULMHCZAMPHPZ-WBVHZDCISA-N 1 3 364.559 2.962 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727079691 734464224 /nfs/dbraw/zinc/46/42/24/734464224.db2.gz XCRRAGLOZDXRPA-UHFFFAOYSA-N 1 3 368.566 2.652 20 0 FFADHO COC(=O)[C@@H]1[C@H](CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1(F)F ZINC000894209892 734818941 /nfs/dbraw/zinc/81/89/41/734818941.db2.gz YKDZSOMTENEGIT-SNPRPXQTSA-N 1 3 358.454 2.604 20 0 FFADHO COC(=O)[C@@H]1[C@H](CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1(F)F ZINC000894209892 734818943 /nfs/dbraw/zinc/81/89/43/734818943.db2.gz YKDZSOMTENEGIT-SNPRPXQTSA-N 1 3 358.454 2.604 20 0 FFADHO [NH3+]CCCC[C@@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1F ZINC000902404622 735942623 /nfs/dbraw/zinc/94/26/23/735942623.db2.gz XTXNEIXXROOMLU-WMLDXEAASA-N 1 3 360.470 2.692 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000753160694 736042120 /nfs/dbraw/zinc/04/21/20/736042120.db2.gz OYWGENYTBNBOPA-UHFFFAOYSA-N 1 3 366.619 2.788 20 0 FFADHO CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909741 736187237 /nfs/dbraw/zinc/18/72/37/736187237.db2.gz YFLWWBXVDLPEIC-RFUYNDQBSA-N 1 3 364.921 2.865 20 0 FFADHO Cc1csc(C[C@@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903954661 736194506 /nfs/dbraw/zinc/19/45/06/736194506.db2.gz SSTXSAYQEILQNK-IRXDYDNUSA-N 1 3 361.559 2.566 20 0 FFADHO C[C@@H](NC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ncc1F ZINC000762733969 736862781 /nfs/dbraw/zinc/86/27/81/736862781.db2.gz KUWYCMJSGJBLMQ-GFCCVEGCSA-N 1 3 373.314 2.660 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000916011046 737671117 /nfs/dbraw/zinc/67/11/17/737671117.db2.gz BJEPMZZCHOLZQZ-RBUKOAKNSA-N 1 3 360.571 2.599 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000916011046 737671121 /nfs/dbraw/zinc/67/11/21/737671121.db2.gz BJEPMZZCHOLZQZ-RBUKOAKNSA-N 1 3 360.571 2.599 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)cc1CN1CCCCC1 ZINC000775378757 738088797 /nfs/dbraw/zinc/08/87/97/738088797.db2.gz AKOBWPTVFKDNLP-MRXNPFEDSA-N 1 3 368.543 2.766 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC000968728615 740722188 /nfs/dbraw/zinc/72/21/88/740722188.db2.gz SGLXJCKLXMJVGV-BPLDGKMQSA-N 1 3 353.869 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC000968728615 740722191 /nfs/dbraw/zinc/72/21/91/740722191.db2.gz SGLXJCKLXMJVGV-BPLDGKMQSA-N 1 3 353.869 2.510 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000806602878 741073625 /nfs/dbraw/zinc/07/36/25/741073625.db2.gz CYDGDXBFNXAARA-LJQANCHMSA-N 1 3 364.603 2.904 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3cnc(C)s3)CC2)CC[N@@H+]1C ZINC000985441210 741397101 /nfs/dbraw/zinc/39/71/01/741397101.db2.gz WOIVKWUTBMGJTG-ZWKOTPCHSA-N 1 3 364.559 2.605 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3cnc(C)s3)CC2)CC[N@H+]1C ZINC000985441210 741397103 /nfs/dbraw/zinc/39/71/03/741397103.db2.gz WOIVKWUTBMGJTG-ZWKOTPCHSA-N 1 3 364.559 2.605 20 0 FFADHO COc1ccc(OC)c([C@@H](O)CN[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000819340305 742378412 /nfs/dbraw/zinc/37/84/12/742378412.db2.gz VVQSMCNKNFLDPN-LPHOPBHVSA-N 1 3 350.503 2.837 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC001022107400 742644634 /nfs/dbraw/zinc/64/46/34/742644634.db2.gz WVVZYWNQYZRYRM-UIBIWLFHSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC001022107400 742644636 /nfs/dbraw/zinc/64/46/36/742644636.db2.gz WVVZYWNQYZRYRM-UIBIWLFHSA-N 1 3 367.896 2.946 20 0 FFADHO Cc1cc(Cl)ccc1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028550330 742793062 /nfs/dbraw/zinc/79/30/62/742793062.db2.gz NCHKBDYMAIEOPG-GPMSIDNRSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cc(Cl)ccc1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028550330 742793065 /nfs/dbraw/zinc/79/30/65/742793065.db2.gz NCHKBDYMAIEOPG-GPMSIDNRSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cc([C@H]([NH3+])CC(=O)N2CCN(C3CCCC3)CC2)cc(Cl)n1 ZINC000826739169 743433290 /nfs/dbraw/zinc/43/32/90/743433290.db2.gz IOCNFDXYERZRFI-MRXNPFEDSA-N 1 3 350.894 2.520 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827127884 743513452 /nfs/dbraw/zinc/51/34/52/743513452.db2.gz XELJZKMHMXRVCE-GRDNDAEWSA-N 1 3 366.937 2.918 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc(Cl)n1 ZINC000828501933 745075966 /nfs/dbraw/zinc/07/59/66/745075966.db2.gz HYMAHAJKSMUHHU-SJORKVTESA-N 1 3 364.921 2.910 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCCCCC3)CC2)CC1 ZINC000836277411 746180052 /nfs/dbraw/zinc/18/00/52/746180052.db2.gz AWAPKGMGMXUJNR-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO O[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000848533337 748952332 /nfs/dbraw/zinc/95/23/32/748952332.db2.gz JUGOMAMUNVUDFJ-CJNGLKHVSA-N 1 3 359.297 2.870 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000849088061 749047837 /nfs/dbraw/zinc/04/78/37/749047837.db2.gz RYAKXGAZTIXDGG-SMDDNHRTSA-N 1 3 359.301 2.625 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1Br ZINC000849097296 749050623 /nfs/dbraw/zinc/05/06/23/749050623.db2.gz NJGSIOOAIVVGBK-DUVNUKRYSA-N 1 3 365.319 2.903 20 0 FFADHO COc1ccc(Cl)c(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000849277263 749084287 /nfs/dbraw/zinc/08/42/87/749084287.db2.gz WZRIIVDFFCVXLE-ZDUSSCGKSA-N 1 3 372.966 2.907 20 0 FFADHO COc1ccc(Cl)c(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000849277263 749084294 /nfs/dbraw/zinc/08/42/94/749084294.db2.gz WZRIIVDFFCVXLE-ZDUSSCGKSA-N 1 3 372.966 2.907 20 0 FFADHO CC(C)C[C@H](N)C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000849352660 749109429 /nfs/dbraw/zinc/10/94/29/749109429.db2.gz OXRAQLVQBROULI-CVEARBPZSA-N 1 3 363.468 2.873 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC[C@@H](C)O)C1 ZINC001104803174 970860502 /nfs/dbraw/zinc/86/05/02/970860502.db2.gz QBJSSEWFNOBCSN-VAMGGRTRSA-N 1 3 369.594 2.734 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001104809337 970872026 /nfs/dbraw/zinc/87/20/26/970872026.db2.gz FDIVHJHZHVLKQM-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1)[NH+]1CCCCC1 ZINC001087966774 971373840 /nfs/dbraw/zinc/37/38/40/971373840.db2.gz UTELEUKMNLZMFP-MOPGFXCFSA-N 1 3 370.541 2.626 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(Cl)n2)C1 ZINC001105064461 971437864 /nfs/dbraw/zinc/43/78/64/971437864.db2.gz PMTMOHOLSQKQDR-HZPDHXFCSA-N 1 3 366.937 2.649 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087993154 971737385 /nfs/dbraw/zinc/73/73/85/971737385.db2.gz BUNXOXOWWHCAAU-BHIFYINESA-N 1 3 369.553 2.658 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087993154 971737389 /nfs/dbraw/zinc/73/73/89/971737389.db2.gz BUNXOXOWWHCAAU-BHIFYINESA-N 1 3 369.553 2.658 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000660420723 971843374 /nfs/dbraw/zinc/84/33/74/971843374.db2.gz UNFIOJYBPBAJSB-RTBURBONSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000660420723 971843378 /nfs/dbraw/zinc/84/33/78/971843378.db2.gz UNFIOJYBPBAJSB-RTBURBONSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(Cc3ccc4cc[nH]c4c3)CC2(C)C)CC[N@@H+]1C ZINC000974606665 972054128 /nfs/dbraw/zinc/05/41/28/972054128.db2.gz RWXZOANTMVICLR-ZTNFWEORSA-N 1 3 368.525 2.835 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(Cc3ccc4cc[nH]c4c3)CC2(C)C)CC[N@H+]1C ZINC000974606665 972054136 /nfs/dbraw/zinc/05/41/36/972054136.db2.gz RWXZOANTMVICLR-ZTNFWEORSA-N 1 3 368.525 2.835 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)CCCCCC[NH3+] ZINC000872154954 1013157250 /nfs/dbraw/zinc/15/72/50/1013157250.db2.gz GZJBTZWGQCIUTJ-MRXNPFEDSA-N 1 3 360.502 2.591 20 0 FFADHO CC(C)(C)[NH2+]CCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC001125973040 972283516 /nfs/dbraw/zinc/28/35/16/972283516.db2.gz JLTVHAVSDBLQBD-UHFFFAOYSA-N 1 3 353.551 2.695 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000654869698 959040510 /nfs/dbraw/zinc/04/05/10/959040510.db2.gz OBLMUDIFOLRGQS-SFHLNBCPSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000654869698 959040530 /nfs/dbraw/zinc/04/05/30/959040530.db2.gz OBLMUDIFOLRGQS-SFHLNBCPSA-N 1 3 373.541 2.514 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)CC1 ZINC000639044996 959607547 /nfs/dbraw/zinc/60/75/47/959607547.db2.gz SKKAICZKDPDYDV-OAQYLSRUSA-N 1 3 370.585 2.862 20 0 FFADHO CC(=O)N1CCC[C@@H](CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)C1 ZINC001208955376 959891108 /nfs/dbraw/zinc/89/11/08/959891108.db2.gz UBRVHESUYWYUSG-IBGZPJMESA-N 1 3 366.509 2.924 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1)N(C)C ZINC000969985397 960039360 /nfs/dbraw/zinc/03/93/60/960039360.db2.gz GNTPUEFTUXVBLX-OWSLCNJRSA-N 1 3 365.468 2.566 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000289373088 962076179 /nfs/dbraw/zinc/07/61/79/962076179.db2.gz KKXPWRBIHLPGMN-ROUUACIJSA-N 1 3 358.530 2.806 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000289373088 962076195 /nfs/dbraw/zinc/07/61/95/962076195.db2.gz KKXPWRBIHLPGMN-ROUUACIJSA-N 1 3 358.530 2.806 20 0 FFADHO Cc1ccc(CC[NH2+]CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001104290803 962324174 /nfs/dbraw/zinc/32/41/74/962324174.db2.gz DZDKXODWVUCCKZ-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO CCCC[N@H+](CCCNS(=O)(=O)CC)C1CC(C)(C)NC(C)(C)C1 ZINC001174982942 1013366291 /nfs/dbraw/zinc/36/62/91/1013366291.db2.gz BGWMUIAKMFGWIM-UHFFFAOYSA-N 1 3 361.596 2.727 20 0 FFADHO CCCC[N@@H+](CCCNS(=O)(=O)CC)C1CC(C)(C)NC(C)(C)C1 ZINC001174982942 1013366302 /nfs/dbraw/zinc/36/63/02/1013366302.db2.gz BGWMUIAKMFGWIM-UHFFFAOYSA-N 1 3 361.596 2.727 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000649378676 1013388281 /nfs/dbraw/zinc/38/82/81/1013388281.db2.gz UXQNVPQSYKCMBX-GOSISDBHSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000649378676 1013388292 /nfs/dbraw/zinc/38/82/92/1013388292.db2.gz UXQNVPQSYKCMBX-GOSISDBHSA-N 1 3 369.553 2.986 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000649411717 1013409571 /nfs/dbraw/zinc/40/95/71/1013409571.db2.gz YEABFCQEVOKQDJ-HBFSDRIKSA-N 1 3 365.477 2.938 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000649411717 1013409578 /nfs/dbraw/zinc/40/95/78/1013409578.db2.gz YEABFCQEVOKQDJ-HBFSDRIKSA-N 1 3 365.477 2.938 20 0 FFADHO c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CN2 ZINC000684202606 963666404 /nfs/dbraw/zinc/66/64/04/963666404.db2.gz WAKJYRMFKUPTIX-BURNTYAHSA-N 1 3 365.525 2.815 20 0 FFADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(N2CCNC2=O)cc1 ZINC000873235058 1013437832 /nfs/dbraw/zinc/43/78/32/1013437832.db2.gz IICWIYNBSRQRIQ-OAHLLOKOSA-N 1 3 350.466 2.713 20 0 FFADHO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247399 1013447584 /nfs/dbraw/zinc/44/75/84/1013447584.db2.gz MDUCMJCASZKREH-HNNXBMFYSA-N 1 3 351.454 2.894 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncccc2C)C1 ZINC001104363088 964092482 /nfs/dbraw/zinc/09/24/82/964092482.db2.gz YPBVZGKVECRDHM-QZTJIDSGSA-N 1 3 360.546 2.695 20 0 FFADHO CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000638122649 964528563 /nfs/dbraw/zinc/52/85/63/964528563.db2.gz NUFRBQUTBYFKBE-MOPGFXCFSA-N 1 3 374.529 2.555 20 0 FFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1)N1CCCC1 ZINC001112506699 964675663 /nfs/dbraw/zinc/67/56/63/964675663.db2.gz AJVFZZVWNPGSTQ-ZPVFIGDESA-N 1 3 353.938 2.832 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2cc(N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000891656695 964748502 /nfs/dbraw/zinc/74/85/02/964748502.db2.gz UQBNQCXIQDWWFA-QAPCUYQASA-N 1 3 353.470 2.516 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2cc(N)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000891656695 964748511 /nfs/dbraw/zinc/74/85/11/964748511.db2.gz UQBNQCXIQDWWFA-QAPCUYQASA-N 1 3 353.470 2.516 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891704311 964903052 /nfs/dbraw/zinc/90/30/52/964903052.db2.gz UWFIRAVQUXXYMP-MRXNPFEDSA-N 1 3 359.518 2.568 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891704436 964907149 /nfs/dbraw/zinc/90/71/49/964907149.db2.gz YGIKMCVPAASRHS-WMZOPIPTSA-N 1 3 359.518 2.520 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000891892404 965344934 /nfs/dbraw/zinc/34/49/34/965344934.db2.gz IHKHPWRSYQZPQE-IBGZPJMESA-N 1 3 372.557 2.808 20 0 FFADHO CC1(C)CN([C@H]2CCCNC2=O)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836390 965550994 /nfs/dbraw/zinc/55/09/94/965550994.db2.gz TVEYSLDNMHVOSG-VQTJNVASSA-N 1 3 355.526 2.888 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\c2ccccc2)C1 ZINC001112535809 966089739 /nfs/dbraw/zinc/08/97/39/966089739.db2.gz BPHVZNWUHKIHGF-ARTBYZAWSA-N 1 3 364.493 2.884 20 0 FFADHO CCCn1nccc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000657318696 966147007 /nfs/dbraw/zinc/14/70/07/966147007.db2.gz MVNXDIFFQXSDLD-UHFFFAOYSA-N 1 3 355.530 2.985 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000892260011 966482463 /nfs/dbraw/zinc/48/24/63/966482463.db2.gz GIMFJCQOHJHNSK-PKOBYXMFSA-N 1 3 356.514 2.702 20 0 FFADHO Cc1ncsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001087212884 966582870 /nfs/dbraw/zinc/58/28/70/966582870.db2.gz UXTWJOFOQPGYIQ-INMHGKMJSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001087219615 966756869 /nfs/dbraw/zinc/75/68/69/966756869.db2.gz GJBICFVYHVWBIQ-BPAFIMBUSA-N 1 3 352.482 2.856 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001087219616 966757121 /nfs/dbraw/zinc/75/71/21/966757121.db2.gz GJBICFVYHVWBIQ-MOXGXCLJSA-N 1 3 352.482 2.856 20 0 FFADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c2ccccc2)CC1 ZINC000655445622 966795559 /nfs/dbraw/zinc/79/55/59/966795559.db2.gz FAHBDNVHTISFQU-VWPQPMDRSA-N 1 3 355.526 2.966 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)o1 ZINC000657596094 966941807 /nfs/dbraw/zinc/94/18/07/966941807.db2.gz URBSVVIFEIYLKC-IBGZPJMESA-N 1 3 366.465 2.835 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)o1 ZINC000657596094 966941809 /nfs/dbraw/zinc/94/18/09/966941809.db2.gz URBSVVIFEIYLKC-IBGZPJMESA-N 1 3 366.465 2.835 20 0 FFADHO c1[nH]nc(-c2cccnc2)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657611669 966958916 /nfs/dbraw/zinc/95/89/16/966958916.db2.gz BVKRIFKQGKMYED-UHFFFAOYSA-N 1 3 362.481 2.869 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000650724130 967606577 /nfs/dbraw/zinc/60/65/77/967606577.db2.gz YOFPLDWWDCUBPG-RLLQIKCJSA-N 1 3 358.461 2.872 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCN(C)C1 ZINC000645440503 967730123 /nfs/dbraw/zinc/73/01/23/967730123.db2.gz ZQRKMDDREWGQFJ-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCN(C)C1 ZINC000645440503 967730130 /nfs/dbraw/zinc/73/01/30/967730130.db2.gz ZQRKMDDREWGQFJ-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNCc2ccc(F)cc2F)C1 ZINC001087245029 967979575 /nfs/dbraw/zinc/97/95/75/967979575.db2.gz BIACLVLNMIWKHQ-HFTRVMKXSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNCc2ccc(F)cc2F)C1 ZINC001087245029 967979583 /nfs/dbraw/zinc/97/95/83/967979583.db2.gz BIACLVLNMIWKHQ-HFTRVMKXSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211616097 968029168 /nfs/dbraw/zinc/02/91/68/968029168.db2.gz WOJKECYPIYRGBZ-FFZOFVMBSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc2c(c1)COC2 ZINC001087577997 968231319 /nfs/dbraw/zinc/23/13/19/968231319.db2.gz VETXPPJEYBVVMV-HUJKARHJSA-N 1 3 371.525 2.526 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc2c(c1)COC2 ZINC001087577997 968231329 /nfs/dbraw/zinc/23/13/29/968231329.db2.gz VETXPPJEYBVVMV-HUJKARHJSA-N 1 3 371.525 2.526 20 0 FFADHO NC(=O)Cc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000685655901 968372726 /nfs/dbraw/zinc/37/27/26/968372726.db2.gz DJPOXUKWYKLSLF-UHFFFAOYSA-N 1 3 369.484 2.650 20 0 FFADHO COC[C@H](CC1CCOCC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165897 968565706 /nfs/dbraw/zinc/56/57/06/968565706.db2.gz SOZFBLAMQGQCEA-NRFANRHFSA-N 1 3 361.530 2.715 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(OC)cc1 ZINC001087711820 968694483 /nfs/dbraw/zinc/69/44/83/968694483.db2.gz ZBXOGFQFHOPAKS-VQTJNVASSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(F)cc1C ZINC001087712017 968697201 /nfs/dbraw/zinc/69/72/01/968697201.db2.gz LELCHULRIFPTPC-VQTJNVASSA-N 1 3 361.505 2.945 20 0 FFADHO CCN(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000892593471 969545032 /nfs/dbraw/zinc/54/50/32/969545032.db2.gz LIKXZHHPNYOOFR-WOZUAGRISA-N 1 3 370.541 2.823 20 0 FFADHO CC1CC[NH+](CCCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659033732 969642747 /nfs/dbraw/zinc/64/27/47/969642747.db2.gz XVSBVZWYQNCZPW-IBGZPJMESA-N 1 3 360.502 2.591 20 0 FFADHO CCC(CC)[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+](C)C ZINC000659031119 969647945 /nfs/dbraw/zinc/64/79/45/969647945.db2.gz AXNFJWKXXYGFCN-OALUTQOASA-N 1 3 362.518 2.835 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659035580 969652519 /nfs/dbraw/zinc/65/25/19/969652519.db2.gz YFSVKOQEPBVBOI-MDZRGWNJSA-N 1 3 360.502 2.732 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1 ZINC000874845877 1013916574 /nfs/dbraw/zinc/91/65/74/1013916574.db2.gz WSKFMSAWWVQWKL-VQTJNVASSA-N 1 3 359.514 2.716 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNCc1cc(F)ccc1F ZINC001104599781 969907223 /nfs/dbraw/zinc/90/72/23/969907223.db2.gz DNUCBMMTIVEWPF-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)c2ccccc2)CC1 ZINC000659440771 969931470 /nfs/dbraw/zinc/93/14/70/969931470.db2.gz LCQFNMAPIXQGLW-QRVBRYPASA-N 1 3 362.493 2.540 20 0 FFADHO C[C@@]1(CNC[C@@H](O)COc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311571620 970057571 /nfs/dbraw/zinc/05/75/71/970057571.db2.gz APOYNOCDXLBJEE-IRLDBZIGSA-N 1 3 354.494 2.928 20 0 FFADHO C[C@@]1(CNC[C@@H](O)COc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311571620 970057575 /nfs/dbraw/zinc/05/75/75/970057575.db2.gz APOYNOCDXLBJEE-IRLDBZIGSA-N 1 3 354.494 2.928 20 0 FFADHO Cc1ccccc1C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104680757 970090282 /nfs/dbraw/zinc/09/02/82/970090282.db2.gz XLHNSWYBXGTSBZ-YFVAEKQCSA-N 1 3 357.542 2.911 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CCOC1CCC1 ZINC001104682653 970099561 /nfs/dbraw/zinc/09/95/61/970099561.db2.gz YXJZAZWYQBZDNF-QZTJIDSGSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1)N(C)C ZINC001104691144 970110118 /nfs/dbraw/zinc/11/01/18/970110118.db2.gz KBMLPXGAPAUEIL-YSGRDPCXSA-N 1 3 360.546 2.613 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020535 970134522 /nfs/dbraw/zinc/13/45/22/970134522.db2.gz MOIPOIYBPDOPLR-NSHGMRRFSA-N 1 3 353.526 2.971 20 0 FFADHO Cc1ccc(CC[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001104728841 970181595 /nfs/dbraw/zinc/18/15/95/970181595.db2.gz CMXLVDHFGGEUPM-IEBWSBKVSA-N 1 3 354.498 2.578 20 0 FFADHO COC(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000895336629 970401689 /nfs/dbraw/zinc/40/16/89/970401689.db2.gz BCGHEXARMBWNKH-HXUWFJFHSA-N 1 3 368.477 2.638 20 0 FFADHO COC(=O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000895336629 970401700 /nfs/dbraw/zinc/40/17/00/970401700.db2.gz BCGHEXARMBWNKH-HXUWFJFHSA-N 1 3 368.477 2.638 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@@H+](CC4CCC4)CC[C@@H]3C2)C1 ZINC001088106957 972829660 /nfs/dbraw/zinc/82/96/60/972829660.db2.gz YGGFCMQNIHPWIS-LVCYWYKZSA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@H+](CC4CCC4)CC[C@@H]3C2)C1 ZINC001088106957 972829671 /nfs/dbraw/zinc/82/96/71/972829671.db2.gz YGGFCMQNIHPWIS-LVCYWYKZSA-N 1 3 365.537 2.779 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1)N(C)C ZINC001088109743 972841084 /nfs/dbraw/zinc/84/10/84/972841084.db2.gz WQPAQTYKEYKLKU-AABGKKOBSA-N 1 3 361.505 2.777 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1)N(C)C ZINC001088109743 972841090 /nfs/dbraw/zinc/84/10/90/972841090.db2.gz WQPAQTYKEYKLKU-AABGKKOBSA-N 1 3 361.505 2.777 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)cc2)CC1 ZINC001116036386 1032081081 /nfs/dbraw/zinc/08/10/81/1032081081.db2.gz VEVGFIQTSBZLME-UXHICEINSA-N 1 3 373.545 2.823 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001116039352 1032084843 /nfs/dbraw/zinc/08/48/43/1032084843.db2.gz BXJMBKPDGCIMNJ-IAGOWNOFSA-N 1 3 368.591 2.520 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651807535 974079931 /nfs/dbraw/zinc/07/99/31/974079931.db2.gz FEPKUVWDPYADFT-UHFFFAOYSA-N 1 3 372.513 2.888 20 0 FFADHO CCC1(c2ccccc2)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763605 974097717 /nfs/dbraw/zinc/09/77/17/974097717.db2.gz GSHJXWWNZSZPJF-SFHVURJKSA-N 1 3 360.546 2.632 20 0 FFADHO CCC1(c2ccccc2)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763605 974097718 /nfs/dbraw/zinc/09/77/18/974097718.db2.gz GSHJXWWNZSZPJF-SFHVURJKSA-N 1 3 360.546 2.632 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1)[NH+](C)C ZINC001211667153 974163820 /nfs/dbraw/zinc/16/38/20/974163820.db2.gz XDDMDJQWVQPBSP-IVMZRVSMSA-N 1 3 363.933 2.909 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000661410116 974245689 /nfs/dbraw/zinc/24/56/89/974245689.db2.gz QTFVNUYLTWBPKT-XUVXKRRUSA-N 1 3 370.541 2.775 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000661410116 974245694 /nfs/dbraw/zinc/24/56/94/974245694.db2.gz QTFVNUYLTWBPKT-XUVXKRRUSA-N 1 3 370.541 2.775 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@H]3CCCN4CCCC[C@H]34)ccc21 ZINC000662838710 974293232 /nfs/dbraw/zinc/29/32/32/974293232.db2.gz NNIUYFXZQJCPLI-AZUAARDMSA-N 1 3 354.498 2.737 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccccc1C[NH2+]C)c1ccco1 ZINC000652190876 974689362 /nfs/dbraw/zinc/68/93/62/974689362.db2.gz BDGLROMESLZMOM-YJBOKZPZSA-N 1 3 358.486 2.928 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346619 974945818 /nfs/dbraw/zinc/94/58/18/974945818.db2.gz BMZFVPYRSCGCKY-BQJUDKOJSA-N 1 3 373.541 2.814 20 0 FFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652347248 974954149 /nfs/dbraw/zinc/95/41/49/974954149.db2.gz WVACUACZEAUEER-VRXWPRPYSA-N 1 3 373.541 2.645 20 0 FFADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H]1CCN ZINC000652354048 974980935 /nfs/dbraw/zinc/98/09/35/974980935.db2.gz LOLCUGNYKYNPFK-APWZRJJASA-N 1 3 372.513 2.591 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H]1CCN ZINC000652354048 974980943 /nfs/dbraw/zinc/98/09/43/974980943.db2.gz LOLCUGNYKYNPFK-APWZRJJASA-N 1 3 372.513 2.591 20 0 FFADHO C[C@@H]1CCCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H]1CC[NH3+] ZINC000652354048 974980950 /nfs/dbraw/zinc/98/09/50/974980950.db2.gz LOLCUGNYKYNPFK-APWZRJJASA-N 1 3 372.513 2.591 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCCF)C2)C1 ZINC001211676079 974985534 /nfs/dbraw/zinc/98/55/34/974985534.db2.gz BYKWEFIVCWCMER-RBUKOAKNSA-N 1 3 361.505 2.662 20 0 FFADHO CC(C)OCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529857 975366572 /nfs/dbraw/zinc/36/65/72/975366572.db2.gz RURMOFVESVDKRG-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCCCF)C2)C1 ZINC001112530006 975372451 /nfs/dbraw/zinc/37/24/51/975372451.db2.gz YXHLBVIJEFAWOQ-HBFSDRIKSA-N 1 3 353.526 2.686 20 0 FFADHO COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295570 975409109 /nfs/dbraw/zinc/40/91/09/975409109.db2.gz GWUWNQFYUDDEAE-IEBWSBKVSA-N 1 3 373.541 2.926 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c(F)c1 ZINC000653223896 1014272046 /nfs/dbraw/zinc/27/20/46/1014272046.db2.gz BDGMILDBUITFDJ-GOSISDBHSA-N 1 3 373.447 2.952 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC23CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC000893621096 976047399 /nfs/dbraw/zinc/04/73/99/976047399.db2.gz JYZSLKWOXZLRRM-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO Cc1cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000653347434 1014308676 /nfs/dbraw/zinc/30/86/76/1014308676.db2.gz CFGCEWXNWFKNKY-FXAWDEMLSA-N 1 3 358.530 2.981 20 0 FFADHO c1nc(C2CC2)c(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663512917 976093833 /nfs/dbraw/zinc/09/38/33/976093833.db2.gz QFSUABRRCWRMMG-HNNXBMFYSA-N 1 3 372.542 2.533 20 0 FFADHO Cc1cc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc(N2CCN(C(C)C)CC2)c1 ZINC000653347865 1014309512 /nfs/dbraw/zinc/30/95/12/1014309512.db2.gz SPJPJASZAKUVAK-NHCUHLMSSA-N 1 3 370.541 2.995 20 0 FFADHO CCN(C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCN(C)C1 ZINC000663579179 976362050 /nfs/dbraw/zinc/36/20/50/976362050.db2.gz AEASQTGYFUKREG-HXUWFJFHSA-N 1 3 358.530 2.695 20 0 FFADHO COc1cccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@H](N(C)C)C3)CC2)c1 ZINC001167857153 976906461 /nfs/dbraw/zinc/90/64/61/976906461.db2.gz LFPIQGDLENNHIX-MOPGFXCFSA-N 1 3 359.514 2.762 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667795527 977046395 /nfs/dbraw/zinc/04/63/95/977046395.db2.gz GEZOSKNPPHTYRV-IBGZPJMESA-N 1 3 371.529 2.894 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667795527 977046404 /nfs/dbraw/zinc/04/64/04/977046404.db2.gz GEZOSKNPPHTYRV-IBGZPJMESA-N 1 3 371.529 2.894 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000894233694 978359993 /nfs/dbraw/zinc/35/99/93/978359993.db2.gz QYQINQYEKKPJNK-UWJYYQICSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2ccc(F)cc2F)C(C)C)CC[N@@H+]1C ZINC001271843946 979139742 /nfs/dbraw/zinc/13/97/42/979139742.db2.gz BHTPBRJUDOYYRW-QXAKKESOSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2ccc(F)cc2F)C(C)C)CC[N@H+]1C ZINC001271843946 979139746 /nfs/dbraw/zinc/13/97/46/979139746.db2.gz BHTPBRJUDOYYRW-QXAKKESOSA-N 1 3 367.484 2.926 20 0 FFADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1ccccc1CC1CC[NH2+]CC1 ZINC000877344420 1014557108 /nfs/dbraw/zinc/55/71/08/1014557108.db2.gz YSCSLGCVVUQIFY-OAQYLSRUSA-N 1 3 363.505 2.673 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]21 ZINC001076241634 979261213 /nfs/dbraw/zinc/26/12/13/979261213.db2.gz WNLGSIUULNSLJV-FFZOFVMBSA-N 1 3 359.489 2.673 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]21 ZINC001076241634 979261221 /nfs/dbraw/zinc/26/12/21/979261221.db2.gz WNLGSIUULNSLJV-FFZOFVMBSA-N 1 3 359.489 2.673 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc5cc[nH]c5c4)C[C@H]32)C1 ZINC001076244557 979278178 /nfs/dbraw/zinc/27/81/78/979278178.db2.gz SZUZKRIBCCWEDN-NBHGPNQESA-N 1 3 366.509 2.542 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc5cc[nH]c5c4)C[C@H]32)C1 ZINC001076244557 979278181 /nfs/dbraw/zinc/27/81/81/979278181.db2.gz SZUZKRIBCCWEDN-NBHGPNQESA-N 1 3 366.509 2.542 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457391 979513133 /nfs/dbraw/zinc/51/31/33/979513133.db2.gz BLUNEZATEQLUCZ-FUHIMQAGSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457391 979513144 /nfs/dbraw/zinc/51/31/44/979513144.db2.gz BLUNEZATEQLUCZ-FUHIMQAGSA-N 1 3 359.489 2.509 20 0 FFADHO NC1(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)Cc2ccccc2C1 ZINC000877450059 1014587402 /nfs/dbraw/zinc/58/74/02/1014587402.db2.gz XCLVLAOXMLEVFU-JXFKEZNVSA-N 1 3 355.526 2.629 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@H](NC3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001168368319 980057044 /nfs/dbraw/zinc/05/70/44/980057044.db2.gz ICVKRKPOMPUXON-UHOSZYNNSA-N 1 3 361.530 2.872 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904393378 980263242 /nfs/dbraw/zinc/26/32/42/980263242.db2.gz RNAKSXXFWYOYAX-LJQANCHMSA-N 1 3 358.461 2.650 20 0 FFADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904596736 980307498 /nfs/dbraw/zinc/30/74/98/980307498.db2.gz MEPSRJOZIYLGLZ-OAHLLOKOSA-N 1 3 360.502 2.597 20 0 FFADHO CN(C(=O)Nc1ccccc1C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000904657864 980313202 /nfs/dbraw/zinc/31/32/02/980313202.db2.gz BMEOVTOMXIEPSH-UHFFFAOYSA-N 1 3 367.497 2.711 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C[C@H](O)c1ccccc1 ZINC000905098508 980381678 /nfs/dbraw/zinc/38/16/78/980381678.db2.gz SZZVOAHAPKEXOG-PUHATCMVSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C[C@H](O)c1ccccc1 ZINC000905098508 980381682 /nfs/dbraw/zinc/38/16/82/980381682.db2.gz SZZVOAHAPKEXOG-PUHATCMVSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[C@H](O)c1ccccc1 ZINC000905098508 980381688 /nfs/dbraw/zinc/38/16/88/980381688.db2.gz SZZVOAHAPKEXOG-PUHATCMVSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097980 980386993 /nfs/dbraw/zinc/38/69/93/980386993.db2.gz PQKJQVDLJWDQNX-LEWJYISDSA-N 1 3 360.542 2.587 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097980 980387001 /nfs/dbraw/zinc/38/70/01/980387001.db2.gz PQKJQVDLJWDQNX-LEWJYISDSA-N 1 3 360.542 2.587 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097980 980387009 /nfs/dbraw/zinc/38/70/09/980387009.db2.gz PQKJQVDLJWDQNX-LEWJYISDSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H](Cc1ccc(Cl)cc1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001168176459 980528116 /nfs/dbraw/zinc/52/81/16/980528116.db2.gz FUFIBIGYCKLIJJ-RKOGWWSCSA-N 1 3 373.932 2.957 20 0 FFADHO C[C@@H](Cc1ccc(Cl)cc1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001168176459 980528118 /nfs/dbraw/zinc/52/81/18/980528118.db2.gz FUFIBIGYCKLIJJ-RKOGWWSCSA-N 1 3 373.932 2.957 20 0 FFADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000643463154 980529049 /nfs/dbraw/zinc/52/90/49/980529049.db2.gz HRDCCGGHCOAQIU-KPLVRAHFSA-N 1 3 369.509 2.623 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc2c(c1)CCC2 ZINC001088571642 981162902 /nfs/dbraw/zinc/16/29/02/981162902.db2.gz IKJPRGHEVPTVLK-XGRCMKMKSA-N 1 3 367.537 2.596 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc(C2CC2)cc1 ZINC001088571686 981162960 /nfs/dbraw/zinc/16/29/60/981162960.db2.gz JZSHLBRSASEEKD-HVETUWLQSA-N 1 3 367.537 2.985 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907871000 981320400 /nfs/dbraw/zinc/32/04/00/981320400.db2.gz FSEMFUQVULOHTO-MNAZLIDISA-N 1 3 373.463 2.925 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907871000 981320404 /nfs/dbraw/zinc/32/04/04/981320404.db2.gz FSEMFUQVULOHTO-MNAZLIDISA-N 1 3 373.463 2.925 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000650669799 1014725211 /nfs/dbraw/zinc/72/52/11/1014725211.db2.gz OTHPZQMPSQOFDW-ZJOUEHCJSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000650669799 1014725223 /nfs/dbraw/zinc/72/52/23/1014725223.db2.gz OTHPZQMPSQOFDW-ZJOUEHCJSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000878183347 1014903455 /nfs/dbraw/zinc/90/34/55/1014903455.db2.gz YLODYXBYBYGCBK-UHFFFAOYSA-N 1 3 360.502 2.513 20 0 FFADHO C[C@@H]1CN(Cc2ccc(O)cc2I)CCC[C@H]1C[NH3+] ZINC001206011142 1032107553 /nfs/dbraw/zinc/10/75/53/1032107553.db2.gz AGJQHSLNNWJALB-NEPJUHHUSA-N 1 3 374.266 2.804 20 0 FFADHO CC(C)COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444638 984545713 /nfs/dbraw/zinc/54/57/13/984545713.db2.gz SSVNVRXXGSZLCT-SVFBPWRDSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)COCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444638 984545717 /nfs/dbraw/zinc/54/57/17/984545717.db2.gz SSVNVRXXGSZLCT-SVFBPWRDSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCOC)CC2 ZINC001107454956 984560390 /nfs/dbraw/zinc/56/03/90/984560390.db2.gz STGOTIHTNJSNQC-YLJYHZDGSA-N 1 3 353.551 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCOC)CC2 ZINC001107454956 984560392 /nfs/dbraw/zinc/56/03/92/984560392.db2.gz STGOTIHTNJSNQC-YLJYHZDGSA-N 1 3 353.551 2.504 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2)N(C)C ZINC001107534127 984643159 /nfs/dbraw/zinc/64/31/59/984643159.db2.gz YUOLUWSLGNSSTQ-ZHALLVOQSA-N 1 3 371.516 2.979 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2)N(C)C ZINC001107534127 984643160 /nfs/dbraw/zinc/64/31/60/984643160.db2.gz YUOLUWSLGNSSTQ-ZHALLVOQSA-N 1 3 371.516 2.979 20 0 FFADHO Cc1nsc(C)c1CN1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530810 984651852 /nfs/dbraw/zinc/65/18/52/984651852.db2.gz MZFOVLCOHQMMQF-IEBWSBKVSA-N 1 3 364.559 2.572 20 0 FFADHO CC[C@@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669483837 984651983 /nfs/dbraw/zinc/65/19/83/984651983.db2.gz OYFZXTWPBLQRGI-HOJAQTOUSA-N 1 3 358.530 2.982 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483712 984653047 /nfs/dbraw/zinc/65/30/47/984653047.db2.gz JBVOZSNPXQYICL-UYAOXDASSA-N 1 3 358.530 2.984 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107554663 984685311 /nfs/dbraw/zinc/68/53/11/984685311.db2.gz IIJYXQOPBAWMFD-NLWGTHIKSA-N 1 3 353.551 2.504 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)N(C)C)CCC[C@@H]12 ZINC001107554663 984685316 /nfs/dbraw/zinc/68/53/16/984685316.db2.gz IIJYXQOPBAWMFD-NLWGTHIKSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1cc(CN2CC[C@@]3(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]23)on1 ZINC001107614043 984816537 /nfs/dbraw/zinc/81/65/37/984816537.db2.gz NBRJMXQJVHNFBR-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCOC)CC2 ZINC001107617305 984836139 /nfs/dbraw/zinc/83/61/39/984836139.db2.gz DLMVBSSDYIUVOA-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCOC)CC2 ZINC001107617305 984836152 /nfs/dbraw/zinc/83/61/52/984836152.db2.gz DLMVBSSDYIUVOA-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CC(C)(C)CO1)CC2 ZINC001107646600 984938075 /nfs/dbraw/zinc/93/80/75/984938075.db2.gz MLKAMOHLMIVHID-DBXWQHBBSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H]1CC(C)(C)CO1)CC2 ZINC001107646600 984938076 /nfs/dbraw/zinc/93/80/76/984938076.db2.gz MLKAMOHLMIVHID-DBXWQHBBSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000997092822 985126254 /nfs/dbraw/zinc/12/62/54/985126254.db2.gz CXENBMXAJUAMQX-LSTHTHJFSA-N 1 3 358.530 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(Cc3cccnc3)CC2)CC[N@H+]1C ZINC000997092822 985126260 /nfs/dbraw/zinc/12/62/60/985126260.db2.gz CXENBMXAJUAMQX-LSTHTHJFSA-N 1 3 358.530 2.529 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921530609 985195520 /nfs/dbraw/zinc/19/55/20/985195520.db2.gz UAOYXJXPMYGRRT-GOSISDBHSA-N 1 3 354.498 2.990 20 0 FFADHO COc1ccc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)cc1 ZINC001088899304 985386405 /nfs/dbraw/zinc/38/64/05/985386405.db2.gz XNPNYJJPWJLGQS-UZLBHIALSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CN(CC3CCCCC3)CCO2)CC[N@@H+]1C ZINC001107953301 985404021 /nfs/dbraw/zinc/40/40/21/985404021.db2.gz XUILHMYBGNUDQN-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CN(CC3CCCCC3)CCO2)CC[N@H+]1C ZINC001107953301 985404025 /nfs/dbraw/zinc/40/40/25/985404025.db2.gz XUILHMYBGNUDQN-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO [NH3+]C[C@]1(O)CCCN(Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001205239495 985668392 /nfs/dbraw/zinc/66/83/92/985668392.db2.gz CKDMBCCFJMMKMQ-INIZCTEOSA-N 1 3 352.276 2.606 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cc4ccccc4o3)C2)CC[N@@H+]1C ZINC000999188832 986382199 /nfs/dbraw/zinc/38/21/99/986382199.db2.gz DLMWLAPWOVULAX-SZVBFZGTSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cc4ccccc4o3)C2)CC[N@H+]1C ZINC000999188832 986382207 /nfs/dbraw/zinc/38/22/07/986382207.db2.gz DLMWLAPWOVULAX-SZVBFZGTSA-N 1 3 355.482 2.854 20 0 FFADHO O=C(c1ccc(F)cc1)[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733443 986832279 /nfs/dbraw/zinc/83/22/79/986832279.db2.gz KIJCEGUOVIBHNW-MJGOQNOKSA-N 1 3 360.473 2.879 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000913858043 986974158 /nfs/dbraw/zinc/97/41/58/986974158.db2.gz CCJROYKXPDQGGS-UXHICEINSA-N 1 3 369.513 2.677 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000921980019 987432297 /nfs/dbraw/zinc/43/22/97/987432297.db2.gz IGFOEOFESOIJHS-HRAATJIYSA-N 1 3 352.478 2.866 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000921980019 987432302 /nfs/dbraw/zinc/43/23/02/987432302.db2.gz IGFOEOFESOIJHS-HRAATJIYSA-N 1 3 352.478 2.866 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc4c(c3)CCC4)CC2)CC[N@@H+]1C ZINC001002851356 987541335 /nfs/dbraw/zinc/54/13/35/987541335.db2.gz HEHQHNKPICZRDZ-IIBYNOLFSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc4c(c3)CCC4)CC2)CC[N@H+]1C ZINC001002851356 987541340 /nfs/dbraw/zinc/54/13/40/987541340.db2.gz HEHQHNKPICZRDZ-IIBYNOLFSA-N 1 3 355.526 2.596 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497174 987774095 /nfs/dbraw/zinc/77/40/95/987774095.db2.gz JKOLANSCKSTILI-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497174 987774098 /nfs/dbraw/zinc/77/40/98/987774098.db2.gz JKOLANSCKSTILI-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106271310 987801685 /nfs/dbraw/zinc/80/16/85/987801685.db2.gz AGSQMOIMWLWWTF-HXISBXOFSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106271310 987801687 /nfs/dbraw/zinc/80/16/87/987801687.db2.gz AGSQMOIMWLWWTF-HXISBXOFSA-N 1 3 362.345 2.864 20 0 FFADHO CC[C@H](CNC(=S)NC[C@@H]1CCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000914704153 987864210 /nfs/dbraw/zinc/86/42/10/987864210.db2.gz PKAZTVPKQZLOMC-UXHICEINSA-N 1 3 374.598 2.772 20 0 FFADHO CC[C@H](CNC(=S)NC[C@@H]1CCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000914704153 987864216 /nfs/dbraw/zinc/86/42/16/987864216.db2.gz PKAZTVPKQZLOMC-UXHICEINSA-N 1 3 374.598 2.772 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccc(C)cc2)[C@H](C)C1)N(C)C ZINC001106313298 987946056 /nfs/dbraw/zinc/94/60/56/987946056.db2.gz WBUOXNADGFEMDH-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO OC1(CNCc2cnn(C3CCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000922185624 988061778 /nfs/dbraw/zinc/06/17/78/988061778.db2.gz NZEDOLJJSXXAJR-UHFFFAOYSA-N 1 3 354.498 2.725 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1)N(C)C ZINC001106634003 988538601 /nfs/dbraw/zinc/53/86/01/988538601.db2.gz ZNGJMPKSPBTZPV-HMXCVIKNSA-N 1 3 359.558 2.890 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247819 1015437018 /nfs/dbraw/zinc/43/70/18/1015437018.db2.gz GMWYKBARKUXBPH-IEBWSBKVSA-N 1 3 371.525 2.823 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCCOC)[C@H](C)C1 ZINC001106775655 989019320 /nfs/dbraw/zinc/01/93/20/989019320.db2.gz WDPZXIMLWQZQNA-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC001106784104 989044509 /nfs/dbraw/zinc/04/45/09/989044509.db2.gz BKTWSVRRDMIARW-ZHALLVOQSA-N 1 3 361.530 2.782 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC001106784933 989056127 /nfs/dbraw/zinc/05/61/27/989056127.db2.gz OQVQQRCOPCBOSS-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC1 ZINC000673769687 989251212 /nfs/dbraw/zinc/25/12/12/989251212.db2.gz WEIDBAFLPJRPKI-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000673776507 989261533 /nfs/dbraw/zinc/26/15/33/989261533.db2.gz ITHFATFNQKGHRO-RXVVDRJESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000673776507 989261537 /nfs/dbraw/zinc/26/15/37/989261537.db2.gz ITHFATFNQKGHRO-RXVVDRJESA-N 1 3 370.541 2.777 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000652179567 1015489581 /nfs/dbraw/zinc/48/95/81/1015489581.db2.gz RQUQCDQTNWCJSI-LAUBAEHRSA-N 1 3 366.509 2.726 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000652193055 1015494201 /nfs/dbraw/zinc/49/42/01/1015494201.db2.gz UJBHQWBHVHIWAG-DYESRHJHSA-N 1 3 366.509 2.868 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675120602 990059129 /nfs/dbraw/zinc/05/91/29/990059129.db2.gz JVAUUZBOGHHEMQ-FXAWDEMLSA-N 1 3 362.562 2.767 20 0 FFADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccc(F)c2)cc1 ZINC000130187071 990489973 /nfs/dbraw/zinc/48/99/73/990489973.db2.gz QNFDCAJYLPTAON-UHFFFAOYSA-N 1 3 355.457 2.941 20 0 FFADHO COc1ccc([C@H]2CCCCCN2C(=O)CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923494563 991188337 /nfs/dbraw/zinc/18/83/37/991188337.db2.gz XMAHFKNXUJUMLA-YLJYHZDGSA-N 1 3 359.514 2.810 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760168 991301173 /nfs/dbraw/zinc/30/11/73/991301173.db2.gz YDKBLTRFIAFGRR-KBXCAEBGSA-N 1 3 367.449 2.951 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760168 991301177 /nfs/dbraw/zinc/30/11/77/991301177.db2.gz YDKBLTRFIAFGRR-KBXCAEBGSA-N 1 3 367.449 2.951 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001212281993 991483343 /nfs/dbraw/zinc/48/33/43/991483343.db2.gz GHIULPXYXZFVRW-DFQSSKMNSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001212281993 991483345 /nfs/dbraw/zinc/48/33/45/991483345.db2.gz GHIULPXYXZFVRW-DFQSSKMNSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC001106910954 991541625 /nfs/dbraw/zinc/54/16/25/991541625.db2.gz WZKRNVUXFBGDSU-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC001484521377 991644179 /nfs/dbraw/zinc/64/41/79/991644179.db2.gz QJRVLLQYMJOLCY-HLLBOEOZSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC001484521377 991644181 /nfs/dbraw/zinc/64/41/81/991644181.db2.gz QJRVLLQYMJOLCY-HLLBOEOZSA-N 1 3 365.468 2.633 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC2CC2)C1)N(C)C ZINC001079154443 991855378 /nfs/dbraw/zinc/85/53/78/991855378.db2.gz DDCSPVPSNWPDFY-XUVXKRRUSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC001127701536 992282962 /nfs/dbraw/zinc/28/29/62/992282962.db2.gz RWBZJTXQHBRIIL-XJKSGUPXSA-N 1 3 358.313 2.930 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC001127701536 992282973 /nfs/dbraw/zinc/28/29/73/992282973.db2.gz RWBZJTXQHBRIIL-XJKSGUPXSA-N 1 3 358.313 2.930 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)cc1 ZINC001079843945 992484099 /nfs/dbraw/zinc/48/40/99/992484099.db2.gz QVYQQNSYZQYHQR-HLAWJBBLSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC001079843945 992484106 /nfs/dbraw/zinc/48/41/06/992484106.db2.gz QVYQQNSYZQYHQR-HLAWJBBLSA-N 1 3 357.542 2.909 20 0 FFADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188968 992808037 /nfs/dbraw/zinc/80/80/37/992808037.db2.gz ZEEHLCQIBNTDNF-LZQZEXGQSA-N 1 3 361.555 2.602 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188968 992808042 /nfs/dbraw/zinc/80/80/42/992808042.db2.gz ZEEHLCQIBNTDNF-LZQZEXGQSA-N 1 3 361.555 2.602 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329951 992939167 /nfs/dbraw/zinc/93/91/67/992939167.db2.gz YNRWSIAYFLNXCU-XKPGHWPRSA-N 1 3 369.553 2.842 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329951 992939172 /nfs/dbraw/zinc/93/91/72/992939172.db2.gz YNRWSIAYFLNXCU-XKPGHWPRSA-N 1 3 369.553 2.842 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329962 992939800 /nfs/dbraw/zinc/93/98/00/992939800.db2.gz YXJJTVQXJYBDHU-KPYYAMLLSA-N 1 3 368.525 2.835 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329962 992939807 /nfs/dbraw/zinc/93/98/07/992939807.db2.gz YXJJTVQXJYBDHU-KPYYAMLLSA-N 1 3 368.525 2.835 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1csc(CCc2ccccc2)n1 ZINC000081525447 992962285 /nfs/dbraw/zinc/96/22/85/992962285.db2.gz MOZSZMPSVCESRO-SFHVURJKSA-N 1 3 371.554 2.817 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNC/C(Cl)=C/Cl ZINC001107032918 993244349 /nfs/dbraw/zinc/24/43/49/993244349.db2.gz ARBAGKWGUAOTPL-UBPCNIQCSA-N 1 3 362.345 2.866 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cccnc2)C1)N(C)C ZINC001081180046 993739338 /nfs/dbraw/zinc/73/93/38/993739338.db2.gz XMGKEWQKIAYYDN-HBMCJLEFSA-N 1 3 366.509 2.506 20 0 FFADHO CC1(C)CC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2c2ccccc2)C1 ZINC001081189053 993745918 /nfs/dbraw/zinc/74/59/18/993745918.db2.gz MGRMNCWOKHBYAS-VQTJNVASSA-N 1 3 366.509 2.973 20 0 FFADHO CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001082059657 994138697 /nfs/dbraw/zinc/13/86/97/994138697.db2.gz ZBLIMUQVDQOGSG-VAMGGRTRSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001082059657 994138703 /nfs/dbraw/zinc/13/87/03/994138703.db2.gz ZBLIMUQVDQOGSG-VAMGGRTRSA-N 1 3 365.562 2.645 20 0 FFADHO CCN1C[C@H](C)N(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000808664353 994208417 /nfs/dbraw/zinc/20/84/17/994208417.db2.gz WFMIYKXMQPGIJH-UKBCLVJRSA-N 1 3 359.514 2.581 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507538 994788733 /nfs/dbraw/zinc/78/87/33/994788733.db2.gz VCPQJVHNWFFHTA-XWIAVFTESA-N 1 3 364.559 2.569 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082507538 994788740 /nfs/dbraw/zinc/78/87/40/994788740.db2.gz VCPQJVHNWFFHTA-XWIAVFTESA-N 1 3 364.559 2.569 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1ccccc1Cl ZINC001082515309 994797426 /nfs/dbraw/zinc/79/74/26/994797426.db2.gz INTXTECBLZADAY-DKSSEZFCSA-N 1 3 361.917 2.618 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1sccc1Cl ZINC001082515436 994797842 /nfs/dbraw/zinc/79/78/42/994797842.db2.gz OFSSLYSRTHDJCD-XNRPHZJLSA-N 1 3 367.946 2.680 20 0 FFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441794 1015894284 /nfs/dbraw/zinc/89/42/84/1015894284.db2.gz BBOSJABOOVKPMU-JZXOWHBKSA-N 1 3 355.486 2.543 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000810709861 994895131 /nfs/dbraw/zinc/89/51/31/994895131.db2.gz BOPPUXFHAVMPPF-GHTZIAJQSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000810709861 994895143 /nfs/dbraw/zinc/89/51/43/994895143.db2.gz BOPPUXFHAVMPPF-GHTZIAJQSA-N 1 3 361.505 2.837 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001082557620 994927766 /nfs/dbraw/zinc/92/77/66/994927766.db2.gz UBTADZOKDFGWFK-OXQOHEQNSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC001082561886 994943331 /nfs/dbraw/zinc/94/33/31/994943331.db2.gz XZDRZXVDJYZUIB-BIENJYKASA-N 1 3 365.468 2.947 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2Cl)C1)[NH+](C)C ZINC001082574927 994996090 /nfs/dbraw/zinc/99/60/90/994996090.db2.gz ACKMAUPIXJDOJX-OLMNPRSZSA-N 1 3 351.922 2.863 20 0 FFADHO CN1CCC(NC(=S)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000811717908 995226797 /nfs/dbraw/zinc/22/67/97/995226797.db2.gz BLFGMDYJAOCBHZ-IBGZPJMESA-N 1 3 374.598 2.847 20 0 FFADHO CN1CCC(NC(=S)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000811717908 995226807 /nfs/dbraw/zinc/22/68/07/995226807.db2.gz BLFGMDYJAOCBHZ-IBGZPJMESA-N 1 3 374.598 2.847 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001086699687 995300198 /nfs/dbraw/zinc/30/01/98/995300198.db2.gz AKTBKXAZLFNIMD-LTCOOKNTSA-N 1 3 365.468 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001086699687 995300203 /nfs/dbraw/zinc/30/02/03/995300203.db2.gz AKTBKXAZLFNIMD-LTCOOKNTSA-N 1 3 365.468 2.680 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)c(C)c1 ZINC001082744182 995404782 /nfs/dbraw/zinc/40/47/82/995404782.db2.gz WOPZGMPJJOVHBQ-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C)s1 ZINC001082782527 995488342 /nfs/dbraw/zinc/48/83/42/995488342.db2.gz CTBVVYNOQDWXOE-RVKKMQEKSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCNCCF)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001133398261 995490047 /nfs/dbraw/zinc/49/00/47/995490047.db2.gz NCVOUZXUKRQPOK-ZWKOTPCHSA-N 1 3 369.912 2.958 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCNCCF)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001133398261 995490052 /nfs/dbraw/zinc/49/00/52/995490052.db2.gz NCVOUZXUKRQPOK-ZWKOTPCHSA-N 1 3 369.912 2.958 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCNCCF)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001133398123 995490115 /nfs/dbraw/zinc/49/01/15/995490115.db2.gz FFMHDIMTPCSANG-RHSMWYFYSA-N 1 3 355.885 2.568 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCNCCF)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001133398123 995490123 /nfs/dbraw/zinc/49/01/23/995490123.db2.gz FFMHDIMTPCSANG-RHSMWYFYSA-N 1 3 355.885 2.568 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccccc1OC1CC1 ZINC001082861957 995666579 /nfs/dbraw/zinc/66/65/79/995666579.db2.gz UIUZIDBKSDZDDR-FUHIMQAGSA-N 1 3 371.525 2.506 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccccc1OC1CC1 ZINC001082861957 995666582 /nfs/dbraw/zinc/66/65/82/995666582.db2.gz UIUZIDBKSDZDDR-FUHIMQAGSA-N 1 3 371.525 2.506 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001082863243 995670776 /nfs/dbraw/zinc/67/07/76/995670776.db2.gz VVKMOKZPNVENIV-IEBWSBKVSA-N 1 3 371.525 2.506 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000280280221 995815004 /nfs/dbraw/zinc/81/50/04/995815004.db2.gz YLUUZZGRKRYZRL-DNVCBOLYSA-N 1 3 360.498 2.782 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001082943460 995881970 /nfs/dbraw/zinc/88/19/70/995881970.db2.gz JSLQLKHXAYHFIO-NSISKUIASA-N 1 3 361.505 2.967 20 0 FFADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000166855798 995991198 /nfs/dbraw/zinc/99/11/98/995991198.db2.gz JOJVLRIIMXDMDR-CZYKHXBRSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000166855798 995991202 /nfs/dbraw/zinc/99/12/02/995991202.db2.gz JOJVLRIIMXDMDR-CZYKHXBRSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2cccc(F)c2)CC[N@@H+]1C ZINC001049482308 1016008511 /nfs/dbraw/zinc/00/85/11/1016008511.db2.gz MEWIBEFCYATZPC-XLNTUCKNSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2cccc(F)c2)CC[N@H+]1C ZINC001049482308 1016008524 /nfs/dbraw/zinc/00/85/24/1016008524.db2.gz MEWIBEFCYATZPC-XLNTUCKNSA-N 1 3 359.489 2.731 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084388832 996530735 /nfs/dbraw/zinc/53/07/35/996530735.db2.gz HLZLKVZVNKWXED-HSALFYBXSA-N 1 3 359.558 2.974 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084388832 996530738 /nfs/dbraw/zinc/53/07/38/996530738.db2.gz HLZLKVZVNKWXED-HSALFYBXSA-N 1 3 359.558 2.974 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084598905 996704033 /nfs/dbraw/zinc/70/40/33/996704033.db2.gz KXIXIPGXPDBKFV-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084598905 996704039 /nfs/dbraw/zinc/70/40/39/996704039.db2.gz KXIXIPGXPDBKFV-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc5cc[nH]c5c4)C[C@H]32)C1 ZINC001084775604 997285378 /nfs/dbraw/zinc/28/53/78/997285378.db2.gz NSEXFAVWMFMBIH-YFVAEKQCSA-N 1 3 366.509 2.542 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc5cc[nH]c5c4)C[C@H]32)C1 ZINC001084775604 997285393 /nfs/dbraw/zinc/28/53/93/997285393.db2.gz NSEXFAVWMFMBIH-YFVAEKQCSA-N 1 3 366.509 2.542 20 0 FFADHO CCCN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000843989474 997565951 /nfs/dbraw/zinc/56/59/51/997565951.db2.gz OKYLKKICHQMFIS-UFUQCMIWSA-N 1 3 359.514 2.583 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001084850385 997660458 /nfs/dbraw/zinc/66/04/58/997660458.db2.gz ZOAIGBJWBZZHKG-NHCUHLMSSA-N 1 3 355.526 2.904 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000844193472 997700961 /nfs/dbraw/zinc/70/09/61/997700961.db2.gz NXSDJDRMDAMJDN-UHFFFAOYSA-N 1 3 367.453 2.868 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000844223798 997713552 /nfs/dbraw/zinc/71/35/52/997713552.db2.gz CHGDAPFCQGYDEM-KURKYZTESA-N 1 3 356.514 2.545 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC001091036013 998250688 /nfs/dbraw/zinc/25/06/88/998250688.db2.gz RJVPPWQLCDUZNT-BLYZHGLHSA-N 1 3 355.935 2.726 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3sccc3Cl)C2)CC[N@H+]1C ZINC001091036013 998250698 /nfs/dbraw/zinc/25/06/98/998250698.db2.gz RJVPPWQLCDUZNT-BLYZHGLHSA-N 1 3 355.935 2.726 20 0 FFADHO NCC1([C@@H]2CCCC[N@@H+]2CCCN2C(=O)c3ccccc3C2=O)CCC1 ZINC000903815505 1016236860 /nfs/dbraw/zinc/23/68/60/1016236860.db2.gz RIMDBPXLONXXCJ-SFHVURJKSA-N 1 3 355.482 2.656 20 0 FFADHO NCC1([C@@H]2CCCC[N@H+]2CCCN2C(=O)c3ccccc3C2=O)CCC1 ZINC000903815505 1016236867 /nfs/dbraw/zinc/23/68/67/1016236867.db2.gz RIMDBPXLONXXCJ-SFHVURJKSA-N 1 3 355.482 2.656 20 0 FFADHO C[N@@H+]1CCC[C@H](CC(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273256038 998723747 /nfs/dbraw/zinc/72/37/47/998723747.db2.gz SPEHWHXEHOUDLR-NQIIRXRSSA-N 1 3 358.530 2.561 20 0 FFADHO C[N@H+]1CCC[C@H](CC(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273256038 998723752 /nfs/dbraw/zinc/72/37/52/998723752.db2.gz SPEHWHXEHOUDLR-NQIIRXRSSA-N 1 3 358.530 2.561 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085092849 998924419 /nfs/dbraw/zinc/92/44/19/998924419.db2.gz SEXAJFGTLJAHMZ-LZEPKQGSSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085092849 998924421 /nfs/dbraw/zinc/92/44/21/998924421.db2.gz SEXAJFGTLJAHMZ-LZEPKQGSSA-N 1 3 353.510 2.574 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ns1 ZINC001085217445 999184574 /nfs/dbraw/zinc/18/45/74/999184574.db2.gz BMCDPYZVPKSKRP-KZNAEPCWSA-N 1 3 364.559 2.843 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085225273 999195174 /nfs/dbraw/zinc/19/51/74/999195174.db2.gz PFIVNIAUCPZQCH-VAMGGRTRSA-N 1 3 358.530 2.862 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085225273 999195177 /nfs/dbraw/zinc/19/51/77/999195177.db2.gz PFIVNIAUCPZQCH-VAMGGRTRSA-N 1 3 358.530 2.862 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC001085331394 999375256 /nfs/dbraw/zinc/37/52/56/999375256.db2.gz IIFDQOCANJRLCG-BPLDGKMQSA-N 1 3 370.950 2.798 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001085352441 999406890 /nfs/dbraw/zinc/40/68/90/999406890.db2.gz HRIYQRGFFRLWJE-QXAKKESOSA-N 1 3 362.518 2.765 20 0 FFADHO Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000180160431 999745737 /nfs/dbraw/zinc/74/57/37/999745737.db2.gz YKDYIKDDPFFDGI-GOSISDBHSA-N 1 3 355.530 2.967 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000743077352 999797632 /nfs/dbraw/zinc/79/76/32/999797632.db2.gz CYLCXKSAPZJQQK-FXAWDEMLSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000743077352 999797633 /nfs/dbraw/zinc/79/76/33/999797633.db2.gz CYLCXKSAPZJQQK-FXAWDEMLSA-N 1 3 373.545 2.775 20 0 FFADHO COc1ccc2oc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)cc2c1 ZINC000903980016 1016356826 /nfs/dbraw/zinc/35/68/26/1016356826.db2.gz CLANNNWWOCCMAN-HDICACEKSA-N 1 3 355.482 2.842 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903979974 1016356868 /nfs/dbraw/zinc/35/68/68/1016356868.db2.gz ASSVOLGQCHLBJB-OYRHEFFESA-N 1 3 365.525 2.786 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903979974 1016356874 /nfs/dbraw/zinc/35/68/74/1016356874.db2.gz ASSVOLGQCHLBJB-OYRHEFFESA-N 1 3 365.525 2.786 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CCCN3C(=O)c3ccco3)CC1)C2 ZINC001169131142 1000023518 /nfs/dbraw/zinc/02/35/18/1000023518.db2.gz QCCDVQXXJKUQBG-PIIMJCKOSA-N 1 3 357.498 2.975 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CCCN3C(=O)c3ccco3)CC1)C2 ZINC001169131142 1000023519 /nfs/dbraw/zinc/02/35/19/1000023519.db2.gz QCCDVQXXJKUQBG-PIIMJCKOSA-N 1 3 357.498 2.975 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)C2 ZINC001169109425 1000025666 /nfs/dbraw/zinc/02/56/66/1000025666.db2.gz IFXHYBQSIYHMIC-AXVVYFOYSA-N 1 3 363.933 2.928 20 0 FFADHO Cc1cccc(CN2CC[C@@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)c1 ZINC001169149748 1000027644 /nfs/dbraw/zinc/02/76/44/1000027644.db2.gz NMDVHQCUKXYCIJ-HXUWFJFHSA-N 1 3 355.526 2.950 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399348 1000383090 /nfs/dbraw/zinc/38/30/90/1000383090.db2.gz HFHLMJDMRWKBLO-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399348 1000383094 /nfs/dbraw/zinc/38/30/94/1000383094.db2.gz HFHLMJDMRWKBLO-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO C[C@H](F)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560924 1000639157 /nfs/dbraw/zinc/63/91/57/1000639157.db2.gz XXVZOZUZWXFMEC-MHORFTMASA-N 1 3 353.526 2.968 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091720762 1001140074 /nfs/dbraw/zinc/14/00/74/1001140074.db2.gz BSIJUZBZEDDCMO-VYDXJSESSA-N 1 3 361.452 2.594 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091720762 1001140077 /nfs/dbraw/zinc/14/00/77/1001140077.db2.gz BSIJUZBZEDDCMO-VYDXJSESSA-N 1 3 361.452 2.594 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@]2(C)C1)C1CCC1 ZINC001091742687 1001193647 /nfs/dbraw/zinc/19/36/47/1001193647.db2.gz FTEDKLHCCXQNDD-UTKZUKDTSA-N 1 3 359.489 2.590 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@]2(C)C1)C1CCC1 ZINC001091742687 1001193652 /nfs/dbraw/zinc/19/36/52/1001193652.db2.gz FTEDKLHCCXQNDD-UTKZUKDTSA-N 1 3 359.489 2.590 20 0 FFADHO CO[C@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1ccccc1 ZINC001110007430 1001295210 /nfs/dbraw/zinc/29/52/10/1001295210.db2.gz WIJRGYYNUZWBDQ-IVAOSVALSA-N 1 3 373.541 2.828 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cc(F)ccc3Cl)C2)C1 ZINC001086875068 1001312689 /nfs/dbraw/zinc/31/26/89/1001312689.db2.gz DNYLGQGKTUBKCD-GRDNDAEWSA-N 1 3 367.896 2.805 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cc(F)ccc3Cl)C2)C1 ZINC001086875068 1001312695 /nfs/dbraw/zinc/31/26/95/1001312695.db2.gz DNYLGQGKTUBKCD-GRDNDAEWSA-N 1 3 367.896 2.805 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(F)c2)C1 ZINC001112548928 1001458789 /nfs/dbraw/zinc/45/87/89/1001458789.db2.gz ZSOJQCRZYIPWHO-RXVVDRJESA-N 1 3 361.505 2.886 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(Cl)[nH]c2ccccc21 ZINC001276200515 1016526652 /nfs/dbraw/zinc/52/66/52/1016526652.db2.gz ZGOJJPVZNMDFIG-QZTJIDSGSA-N 1 3 374.916 2.948 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091780297 1001903915 /nfs/dbraw/zinc/90/39/15/1001903915.db2.gz DWJHQCILEHKCBC-AXIAKDPMSA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091780297 1001903921 /nfs/dbraw/zinc/90/39/21/1001903921.db2.gz DWJHQCILEHKCBC-AXIAKDPMSA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@]2(C)C1)N(C)C ZINC001091783136 1001909784 /nfs/dbraw/zinc/90/97/84/1001909784.db2.gz TWGFEUDLWNGRTE-SJBKTWHCSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@]2(C)C1)N(C)C ZINC001091783136 1001909792 /nfs/dbraw/zinc/90/97/92/1001909792.db2.gz TWGFEUDLWNGRTE-SJBKTWHCSA-N 1 3 357.542 2.924 20 0 FFADHO CN(C)Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000677842127 1016578394 /nfs/dbraw/zinc/57/83/94/1016578394.db2.gz YIKWYOLDHPCUKV-UHFFFAOYSA-N 1 3 367.493 2.957 20 0 FFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013162 1002284661 /nfs/dbraw/zinc/28/46/61/1002284661.db2.gz JZVGQLGZYZFVQP-LSTHTHJFSA-N 1 3 353.526 2.779 20 0 FFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013162 1002284667 /nfs/dbraw/zinc/28/46/67/1002284667.db2.gz JZVGQLGZYZFVQP-LSTHTHJFSA-N 1 3 353.526 2.779 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CC4CC5(CCC5)C4)C[C@@]3(C)C2)C1 ZINC001092013368 1002285669 /nfs/dbraw/zinc/28/56/69/1002285669.db2.gz OLDGVURCGKTGRM-DSKINZAPSA-N 1 3 359.558 2.689 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4CC5(CCC5)C4)C[C@@]3(C)C2)C1 ZINC001092013368 1002285679 /nfs/dbraw/zinc/28/56/79/1002285679.db2.gz OLDGVURCGKTGRM-DSKINZAPSA-N 1 3 359.558 2.689 20 0 FFADHO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092052040 1002324278 /nfs/dbraw/zinc/32/42/78/1002324278.db2.gz BCEZMDJHRUNDBY-LZJOCLMNSA-N 1 3 352.482 2.802 20 0 FFADHO Cc1ccccc1[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092052040 1002324291 /nfs/dbraw/zinc/32/42/91/1002324291.db2.gz BCEZMDJHRUNDBY-LZJOCLMNSA-N 1 3 352.482 2.802 20 0 FFADHO C[C@@H](C(=O)N1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1)N1CCCC1 ZINC001273499442 1002861470 /nfs/dbraw/zinc/86/14/70/1002861470.db2.gz AGNNMWAGQWGPAZ-SFHVURJKSA-N 1 3 358.530 2.704 20 0 FFADHO C[C@@H](C(=O)N1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1)N1CCCC1 ZINC001273499442 1002861482 /nfs/dbraw/zinc/86/14/82/1002861482.db2.gz AGNNMWAGQWGPAZ-SFHVURJKSA-N 1 3 358.530 2.704 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620163 1003555082 /nfs/dbraw/zinc/55/50/82/1003555082.db2.gz BAEMSOPYVWZMCK-VQTJNVASSA-N 1 3 353.510 2.633 20 0 FFADHO CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001086624980 1003761850 /nfs/dbraw/zinc/76/18/50/1003761850.db2.gz DMACJUPDDQQJJV-LEWJYISDSA-N 1 3 351.494 2.966 20 0 FFADHO CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001086624980 1003761855 /nfs/dbraw/zinc/76/18/55/1003761855.db2.gz DMACJUPDDQQJJV-LEWJYISDSA-N 1 3 351.494 2.966 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2cccc3c2OC(F)(F)O3)C1 ZINC001191455269 1003849763 /nfs/dbraw/zinc/84/97/63/1003849763.db2.gz WFRLGVONEKSCQP-INIZCTEOSA-N 1 3 370.440 2.983 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001196712397 1003924489 /nfs/dbraw/zinc/92/44/89/1003924489.db2.gz UHAVXXHZPFJQCA-IBGZPJMESA-N 1 3 362.587 2.765 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC001095606187 1016843482 /nfs/dbraw/zinc/84/34/82/1016843482.db2.gz WFLPGTLDNUEEAX-HKBOAZHASA-N 1 3 367.537 2.827 20 0 FFADHO C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273836435 1005110967 /nfs/dbraw/zinc/11/09/67/1005110967.db2.gz WOLKWSGIMOFVMA-RXVVDRJESA-N 1 3 358.530 2.561 20 0 FFADHO C[N@H+]1CCC[C@H](C(=O)N2CCC[C@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273836435 1005110968 /nfs/dbraw/zinc/11/09/68/1005110968.db2.gz WOLKWSGIMOFVMA-RXVVDRJESA-N 1 3 358.530 2.561 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001488945666 1005383682 /nfs/dbraw/zinc/38/36/82/1005383682.db2.gz PPJIOHPVCHGPFG-PKOBYXMFSA-N 1 3 358.530 2.639 20 0 FFADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001488962267 1005387092 /nfs/dbraw/zinc/38/70/92/1005387092.db2.gz NYSMVYXEEGVFDG-QFBILLFUSA-N 1 3 356.514 2.884 20 0 FFADHO Cc1ncsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001489056259 1005400247 /nfs/dbraw/zinc/40/02/47/1005400247.db2.gz OESSXGOKUAXUSE-ZBFHGGJFSA-N 1 3 352.548 2.508 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001489207962 1005433428 /nfs/dbraw/zinc/43/34/28/1005433428.db2.gz JOMFYVWUQZTZDF-YADHBBJMSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001489207962 1005433429 /nfs/dbraw/zinc/43/34/29/1005433429.db2.gz JOMFYVWUQZTZDF-YADHBBJMSA-N 1 3 371.569 2.912 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1CCc1ccccc1F ZINC001489268968 1005446148 /nfs/dbraw/zinc/44/61/48/1005446148.db2.gz DIPWZNUZTWPNFV-KPFFTGBYSA-N 1 3 361.505 2.822 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CCN1CCc1ccccc1F ZINC001489268968 1005446150 /nfs/dbraw/zinc/44/61/50/1005446150.db2.gz DIPWZNUZTWPNFV-KPFFTGBYSA-N 1 3 361.505 2.822 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001097079380 1017003478 /nfs/dbraw/zinc/00/34/78/1017003478.db2.gz JNVAZMPBBVANAC-AITUJVMLSA-N 1 3 351.510 2.722 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001097079380 1017003482 /nfs/dbraw/zinc/00/34/82/1017003482.db2.gz JNVAZMPBBVANAC-AITUJVMLSA-N 1 3 351.510 2.722 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001097085992 1017013795 /nfs/dbraw/zinc/01/37/95/1017013795.db2.gz SIYJTGCANOYAFW-NCYKPQTJSA-N 1 3 353.510 2.558 20 0 FFADHO CN1CCC[C@H]1CC[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000129168679 1006191630 /nfs/dbraw/zinc/19/16/30/1006191630.db2.gz LSOKOPVTGXDXEU-KRWDZBQOSA-N 1 3 369.550 2.867 20 0 FFADHO CN(C(=O)C[C@@H]1NCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865657 1006212061 /nfs/dbraw/zinc/21/20/61/1006212061.db2.gz KWZSNVCTWRDEMX-FQEVSTJZSA-N 1 3 353.466 2.824 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(Cc2ccc(F)cc2)CC3)CC[N@@H+]1C ZINC001050523377 1017039203 /nfs/dbraw/zinc/03/92/03/1017039203.db2.gz BBBPHISFMXCWFV-VQIMIIECSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(Cc2ccc(F)cc2)CC3)CC[N@H+]1C ZINC001050523377 1017039214 /nfs/dbraw/zinc/03/92/14/1017039214.db2.gz BBBPHISFMXCWFV-VQIMIIECSA-N 1 3 359.489 2.590 20 0 FFADHO COC(=O)c1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)n(C)c1C ZINC000883344052 1006760387 /nfs/dbraw/zinc/76/03/87/1006760387.db2.gz KOPVITSAFFJVFV-OAHLLOKOSA-N 1 3 373.497 2.911 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189311402 1007013820 /nfs/dbraw/zinc/01/38/20/1007013820.db2.gz KTADJBRQKZTSHC-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189311402 1007013830 /nfs/dbraw/zinc/01/38/30/1007013830.db2.gz KTADJBRQKZTSHC-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346394 1007296011 /nfs/dbraw/zinc/29/60/11/1007296011.db2.gz ADNXWJCLHWGNOH-NSHDSACASA-N 1 3 361.317 2.699 20 0 FFADHO Cc1nc(Cl)c(Cl)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346394 1007296015 /nfs/dbraw/zinc/29/60/15/1007296015.db2.gz ADNXWJCLHWGNOH-NSHDSACASA-N 1 3 361.317 2.699 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)c3cc(C)cc(C)c3)CC2)CC1 ZINC000817284764 1007508294 /nfs/dbraw/zinc/50/82/94/1007508294.db2.gz APWLWXVOYAPCNI-JOCHJYFZSA-N 1 3 359.558 2.829 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)c3cc(C)cc(C)c3)CC2)CC1 ZINC000817284764 1007508298 /nfs/dbraw/zinc/50/82/98/1007508298.db2.gz APWLWXVOYAPCNI-JOCHJYFZSA-N 1 3 359.558 2.829 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2)C1=O ZINC000817928862 1007798344 /nfs/dbraw/zinc/79/83/44/1007798344.db2.gz GIPBVXYXSQJWDY-FYINFDKHSA-N 1 3 370.497 2.519 20 0 FFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@@H]1COC2(CCCCC2)O1 ZINC000817917322 1007808356 /nfs/dbraw/zinc/80/83/56/1007808356.db2.gz AXUHQYXUUXLYOP-YVWKXTFCSA-N 1 3 358.482 2.908 20 0 FFADHO CCc1ccc([C@H](CN2CCOCC2)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000817949974 1007822640 /nfs/dbraw/zinc/82/26/40/1007822640.db2.gz VDJBGILYMGJCBV-QHCPKHFHSA-N 1 3 367.537 2.913 20 0 FFADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000817948367 1007823086 /nfs/dbraw/zinc/82/30/86/1007823086.db2.gz IQTCYCRYTZVSSW-INIZCTEOSA-N 1 3 373.522 2.579 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@@](O)(CNCCC[NH+]2CCCCC2)CC1 ZINC000818161454 1007873413 /nfs/dbraw/zinc/87/34/13/1007873413.db2.gz USIQZNMLDARUJC-FQEVSTJZSA-N 1 3 369.550 2.604 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001086820017 1007895697 /nfs/dbraw/zinc/89/56/97/1007895697.db2.gz LZVGPJMJDUNFAZ-XUVXKRRUSA-N 1 3 365.562 2.550 20 0 FFADHO Cc1ncoc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086820233 1007900466 /nfs/dbraw/zinc/90/04/66/1007900466.db2.gz VFMHHBMRNHHVIO-KSZLIROESA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncoc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086820233 1007900476 /nfs/dbraw/zinc/90/04/76/1007900476.db2.gz VFMHHBMRNHHVIO-KSZLIROESA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncoc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086820233 1007900486 /nfs/dbraw/zinc/90/04/86/1007900486.db2.gz VFMHHBMRNHHVIO-KSZLIROESA-N 1 3 362.518 2.620 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000818958607 1007995366 /nfs/dbraw/zinc/99/53/66/1007995366.db2.gz RVQGPBKNZKMLQN-QFIPXVFZSA-N 1 3 371.500 2.786 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](OC)C1CCCC1 ZINC001110738337 1008229774 /nfs/dbraw/zinc/22/97/74/1008229774.db2.gz AVDIIGVPQHPPMX-YRXWBPOGSA-N 1 3 365.562 2.643 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](OC)C1CCCC1 ZINC001110738337 1008229778 /nfs/dbraw/zinc/22/97/78/1008229778.db2.gz AVDIIGVPQHPPMX-YRXWBPOGSA-N 1 3 365.562 2.643 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCOCC1 ZINC001110738474 1008257714 /nfs/dbraw/zinc/25/77/14/1008257714.db2.gz FUHDYBPNWNWQFT-QRVBRYPASA-N 1 3 365.562 2.645 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCOCC1 ZINC001110738474 1008257718 /nfs/dbraw/zinc/25/77/18/1008257718.db2.gz FUHDYBPNWNWQFT-QRVBRYPASA-N 1 3 365.562 2.645 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2C)cc1CN1CCCCC1 ZINC000858522695 1008374130 /nfs/dbraw/zinc/37/41/30/1008374130.db2.gz HQDZCNUXELYJHR-PXNSSMCTSA-N 1 3 361.530 2.662 20 0 FFADHO CC(C)[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cnn(C)c1 ZINC000886508882 1008706943 /nfs/dbraw/zinc/70/69/43/1008706943.db2.gz QTGKPHQVPKPFFT-NRFANRHFSA-N 1 3 355.530 2.654 20 0 FFADHO O=C(NCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCC1 ZINC000886549802 1008732861 /nfs/dbraw/zinc/73/28/61/1008732861.db2.gz NWOMSMQCDGVPSI-JBACZVJFSA-N 1 3 355.526 2.936 20 0 FFADHO CC1([NH+]2CCCC2)CCC(NCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000886643139 1008791066 /nfs/dbraw/zinc/79/10/66/1008791066.db2.gz MCDYKOCKNHKMKB-UHFFFAOYSA-N 1 3 373.497 2.783 20 0 FFADHO CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000861342658 1009353081 /nfs/dbraw/zinc/35/30/81/1009353081.db2.gz WUKWXDPOCBKINC-FPOVZHCZSA-N 1 3 360.498 2.939 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000887598702 1009373186 /nfs/dbraw/zinc/37/31/86/1009373186.db2.gz FFVPQAITPIWDMV-LJQANCHMSA-N 1 3 358.530 2.949 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3cccc(F)c3)CC2)CC1 ZINC000134725945 1009487771 /nfs/dbraw/zinc/48/77/71/1009487771.db2.gz LEYMYEILSWNMAC-UHFFFAOYSA-N 1 3 361.505 2.778 20 0 FFADHO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001180543968 1009740176 /nfs/dbraw/zinc/74/01/76/1009740176.db2.gz QVLDGDYFMQUMDF-ZWOKBUDYSA-N 1 3 353.526 2.920 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277213 1009779239 /nfs/dbraw/zinc/77/92/39/1009779239.db2.gz SAZQNDQROCXRNT-KSZLIROESA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277213 1009779249 /nfs/dbraw/zinc/77/92/49/1009779249.db2.gz SAZQNDQROCXRNT-KSZLIROESA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277213 1009779260 /nfs/dbraw/zinc/77/92/60/1009779260.db2.gz SAZQNDQROCXRNT-KSZLIROESA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C2CC(N3CCCCC3)C2)COC1(C)C ZINC000862350572 1009803161 /nfs/dbraw/zinc/80/31/61/1009803161.db2.gz AWJOGUIWQWLZHF-OFLPRAFFSA-N 1 3 367.534 2.965 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Nc3ccncc3)cc2)CC[N@@H+]1C ZINC000889391798 1009937284 /nfs/dbraw/zinc/93/72/84/1009937284.db2.gz WMHUOXVRXDUQBC-OXQOHEQNSA-N 1 3 367.497 2.871 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Nc3ccncc3)cc2)CC[N@H+]1C ZINC000889391798 1009937297 /nfs/dbraw/zinc/93/72/97/1009937297.db2.gz WMHUOXVRXDUQBC-OXQOHEQNSA-N 1 3 367.497 2.871 20 0 FFADHO C[C@H](NC[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000794487890 1010115045 /nfs/dbraw/zinc/11/50/45/1010115045.db2.gz MSTLIEXLZNPIRZ-BQFCYCMXSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@@H](O)CCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000794487890 1010115052 /nfs/dbraw/zinc/11/50/52/1010115052.db2.gz MSTLIEXLZNPIRZ-BQFCYCMXSA-N 1 3 369.550 2.505 20 0 FFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093822448 1010594497 /nfs/dbraw/zinc/59/44/97/1010594497.db2.gz RDQUMVJXXZIUEX-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001093824329 1010596053 /nfs/dbraw/zinc/59/60/53/1010596053.db2.gz QMQATYBBCNIXMG-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1)N(C)C ZINC001093857494 1010633476 /nfs/dbraw/zinc/63/34/76/1010633476.db2.gz IAPYPDIFOGXFQB-DDUZABMNSA-N 1 3 367.921 2.570 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CC1CCC1 ZINC001094043565 1010806102 /nfs/dbraw/zinc/80/61/02/1010806102.db2.gz OMVWNUUFRBPSQT-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO Cn1ncc2cc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)cnc21 ZINC000865559507 1010815867 /nfs/dbraw/zinc/81/58/67/1010815867.db2.gz XPHJTPNODFWBOI-UHFFFAOYSA-N 1 3 365.481 2.731 20 0 FFADHO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001094071994 1010832429 /nfs/dbraw/zinc/83/24/29/1010832429.db2.gz JAJZASLAQOJOMP-SJLPKXTDSA-N 1 3 370.497 2.624 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]Cc1ccccc1F ZINC001094131036 1010877093 /nfs/dbraw/zinc/87/70/93/1010877093.db2.gz KRIONQDEIGBTAX-IEBWSBKVSA-N 1 3 361.505 2.742 20 0 FFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001094131087 1010877825 /nfs/dbraw/zinc/87/78/25/1010877825.db2.gz MTVXTNXACJNVEC-TZIWHRDSSA-N 1 3 357.542 2.911 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)s2)[C@H](C)C1 ZINC001094241490 1010984586 /nfs/dbraw/zinc/98/45/86/1010984586.db2.gz IYDCQQRTPAHDEL-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001094241533 1010985180 /nfs/dbraw/zinc/98/51/80/1010985180.db2.gz MHJJYXVCUVZMFB-YLJYHZDGSA-N 1 3 366.509 2.641 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000645183600 1011375720 /nfs/dbraw/zinc/37/57/20/1011375720.db2.gz HGCYYCYOWWPZKA-RXVVDRJESA-N 1 3 369.534 2.933 20 0 FFADHO CC(C)(C)N1CC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274459455 1011452608 /nfs/dbraw/zinc/45/26/08/1011452608.db2.gz UGTDFDKZELTYKX-GOSISDBHSA-N 1 3 358.530 2.702 20 0 FFADHO CC(C)(C)N1CC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274459455 1011452611 /nfs/dbraw/zinc/45/26/11/1011452611.db2.gz UGTDFDKZELTYKX-GOSISDBHSA-N 1 3 358.530 2.702 20 0 FFADHO CC(C)(C)OC(=O)N1CCC(C[NH3+])(N[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171778015 1011467973 /nfs/dbraw/zinc/46/79/73/1011467973.db2.gz SZSUDWCTIBXAKB-HNNXBMFYSA-N 1 3 363.477 2.611 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1Cc1ccccc1 ZINC001171737958 1011471746 /nfs/dbraw/zinc/47/17/46/1011471746.db2.gz FFDMFEWWYZRXIG-ZHHKINOHSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)(O)CN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172081201 1011617386 /nfs/dbraw/zinc/61/73/86/1011617386.db2.gz AZGXKGAOLDFFRD-KOUNCHBCSA-N 1 3 371.569 2.961 20 0 FFADHO CC(C)(O)CN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172081201 1011617388 /nfs/dbraw/zinc/61/73/88/1011617388.db2.gz AZGXKGAOLDFFRD-KOUNCHBCSA-N 1 3 371.569 2.961 20 0 FFADHO CN(C)C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001172067130 1011628221 /nfs/dbraw/zinc/62/82/21/1011628221.db2.gz AXBATHQVOVZLCO-CBPXPLCBSA-N 1 3 357.542 2.835 20 0 FFADHO CN(C)C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172067130 1011628227 /nfs/dbraw/zinc/62/82/27/1011628227.db2.gz AXBATHQVOVZLCO-CBPXPLCBSA-N 1 3 357.542 2.835 20 0 FFADHO COCCOc1ccccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172132592 1011635775 /nfs/dbraw/zinc/63/57/75/1011635775.db2.gz LZCBHJZNUKZAMX-PMOLBWCYSA-N 1 3 373.541 2.849 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCc3ncc(CN4CCCCC4)n3CC1)C2 ZINC001172116626 1011647071 /nfs/dbraw/zinc/64/70/71/1011647071.db2.gz LWUSUJBSSKGPBR-ACDBMABISA-N 1 3 371.573 2.742 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCc3ncc(CN4CCCCC4)n3CC1)C2 ZINC001172116626 1011647080 /nfs/dbraw/zinc/64/70/80/1011647080.db2.gz LWUSUJBSSKGPBR-ACDBMABISA-N 1 3 371.573 2.742 20 0 FFADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172159651 1011673076 /nfs/dbraw/zinc/67/30/76/1011673076.db2.gz RLZWQBQTOHOXBP-ZWKOTPCHSA-N 1 3 361.917 2.829 20 0 FFADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172159643 1011673571 /nfs/dbraw/zinc/67/35/71/1011673571.db2.gz RLZWQBQTOHOXBP-MSOLQXFVSA-N 1 3 361.917 2.829 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001172591692 1011875053 /nfs/dbraw/zinc/87/50/53/1011875053.db2.gz CYHFLLDMCOIFPF-RTWAWAEBSA-N 1 3 373.541 2.646 20 0 FFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275092879 1011919935 /nfs/dbraw/zinc/91/99/35/1011919935.db2.gz FALZEEGSEIPOQO-IRLDBZIGSA-N 1 3 357.542 2.912 20 0 FFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275092879 1011919944 /nfs/dbraw/zinc/91/99/44/1011919944.db2.gz FALZEEGSEIPOQO-IRLDBZIGSA-N 1 3 357.542 2.912 20 0 FFADHO COC(=O)N1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172741766 1011980965 /nfs/dbraw/zinc/98/09/65/1011980965.db2.gz NYZQRXXXJXAKIK-OALUTQOASA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172741766 1011980974 /nfs/dbraw/zinc/98/09/74/1011980974.db2.gz NYZQRXXXJXAKIK-OALUTQOASA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172741766 1011980988 /nfs/dbraw/zinc/98/09/88/1011980988.db2.gz NYZQRXXXJXAKIK-OALUTQOASA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172741766 1011981004 /nfs/dbraw/zinc/98/10/04/1011981004.db2.gz NYZQRXXXJXAKIK-OALUTQOASA-N 1 3 357.498 2.671 20 0 FFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542149 1012020890 /nfs/dbraw/zinc/02/08/90/1012020890.db2.gz YEVXSWIDVINELQ-VQTJNVASSA-N 1 3 358.530 2.852 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647179656 1012399861 /nfs/dbraw/zinc/39/98/61/1012399861.db2.gz JZMBZZOFBKESAJ-SFHVURJKSA-N 1 3 355.530 2.544 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000647552073 1012527506 /nfs/dbraw/zinc/52/75/06/1012527506.db2.gz FBJHPRHJGXBGTH-HKUYNNGSSA-N 1 3 358.486 2.707 20 0 FFADHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc2occc2c1 ZINC001275548662 1012606393 /nfs/dbraw/zinc/60/63/93/1012606393.db2.gz HACWDGMYXZLCDL-NRFANRHFSA-N 1 3 355.482 2.951 20 0 FFADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976313 1012650779 /nfs/dbraw/zinc/65/07/79/1012650779.db2.gz MZZRLRFRBNMFDE-FGTMMUONSA-N 1 3 362.518 3.192 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978083 1012653344 /nfs/dbraw/zinc/65/33/44/1012653344.db2.gz MKXVQCXEKKMVSU-UXHICEINSA-N 1 3 373.541 2.802 20 0 FFADHO c1cnc(N[C@@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nc1 ZINC000648049293 1012680437 /nfs/dbraw/zinc/68/04/37/1012680437.db2.gz BBXCQPGMJRBWBO-LJQANCHMSA-N 1 3 367.497 2.638 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)C1=O ZINC001275683830 1012854120 /nfs/dbraw/zinc/85/41/20/1012854120.db2.gz SOHIYLHFFHUUIR-QFIPXVFZSA-N 1 3 357.542 2.970 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C2)C1=O ZINC001275683830 1012854135 /nfs/dbraw/zinc/85/41/35/1012854135.db2.gz SOHIYLHFFHUUIR-QFIPXVFZSA-N 1 3 357.542 2.970 20 0 FFADHO COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)cc1 ZINC001173714323 1012912668 /nfs/dbraw/zinc/91/26/68/1012912668.db2.gz LKTYLEFLEPVMTO-NSISKUIASA-N 1 3 360.498 2.637 20 0 FFADHO Cc1cccc(CC[N@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)c1 ZINC001275761586 1012969373 /nfs/dbraw/zinc/96/93/73/1012969373.db2.gz LGDVHBAGWSPTJP-JOCHJYFZSA-N 1 3 357.542 2.804 20 0 FFADHO Cc1cccc(CC[N@@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)c1 ZINC001275761586 1012969386 /nfs/dbraw/zinc/96/93/86/1012969386.db2.gz LGDVHBAGWSPTJP-JOCHJYFZSA-N 1 3 357.542 2.804 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1 ZINC000924931397 1017551322 /nfs/dbraw/zinc/55/13/22/1017551322.db2.gz ICMCTCMNDVDFFA-FQVISZRSSA-N 1 3 362.514 2.691 20 0 FFADHO CCn1cnnc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679721753 1017593473 /nfs/dbraw/zinc/59/34/73/1017593473.db2.gz REFANISBPGZXAP-VAMGGRTRSA-N 1 3 353.514 2.731 20 0 FFADHO [NH3+]CCC[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000925638816 1017807858 /nfs/dbraw/zinc/80/78/58/1017807858.db2.gz GLRFKVHHXQWSRU-FQEVSTJZSA-N 1 3 373.522 2.796 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C3)cc1 ZINC001097718761 1017839026 /nfs/dbraw/zinc/83/90/26/1017839026.db2.gz OKZNJWODQBIGLL-URZNZNTCSA-N 1 3 355.526 2.947 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C3)cc1 ZINC001097718761 1017839041 /nfs/dbraw/zinc/83/90/41/1017839041.db2.gz OKZNJWODQBIGLL-URZNZNTCSA-N 1 3 355.526 2.947 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001097719265 1017843310 /nfs/dbraw/zinc/84/33/10/1017843310.db2.gz ZZCMTWFFKFUQQA-VXCLMFOKSA-N 1 3 355.526 2.947 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001097719265 1017843322 /nfs/dbraw/zinc/84/33/22/1017843322.db2.gz ZZCMTWFFKFUQQA-VXCLMFOKSA-N 1 3 355.526 2.947 20 0 FFADHO Fc1ccc([C@H](NCCCCCN2CC[NH2+]CC2)c2ccccc2)nc1 ZINC000925843887 1017868064 /nfs/dbraw/zinc/86/80/64/1017868064.db2.gz HHXGQKRJRIVUPP-OAQYLSRUSA-N 1 3 356.489 2.975 20 0 FFADHO O=C1O[C@@H](CN[C@@H]2CCCOc3cc4c(cc32)CCC4)CC12CC[NH2+]CC2 ZINC000925852571 1017874618 /nfs/dbraw/zinc/87/46/18/1017874618.db2.gz CPHQKIAHOQXTOV-IEBWSBKVSA-N 1 3 370.493 2.664 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680269533 1017887957 /nfs/dbraw/zinc/88/79/57/1017887957.db2.gz LNYUNFVKJTXVEU-BQJUDKOJSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680269533 1017887972 /nfs/dbraw/zinc/88/79/72/1017887972.db2.gz LNYUNFVKJTXVEU-BQJUDKOJSA-N 1 3 357.542 2.990 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@@H]3C[NH2+]C[C@H]3C)c(C)c2)CC1 ZINC000925917011 1017901465 /nfs/dbraw/zinc/90/14/65/1017901465.db2.gz XAQZPRQDLOAHEZ-QZTJIDSGSA-N 1 3 373.545 2.504 20 0 FFADHO Cc1noc(C)c1[C@H](C)NCCOCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000680381349 1017956816 /nfs/dbraw/zinc/95/68/16/1017956816.db2.gz CULAKXPVVUEKRY-RYUDHWBXSA-N 1 3 350.463 2.914 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4ncccc4C)C3)C2)CC[N@@H+]1C ZINC001041300301 1018769652 /nfs/dbraw/zinc/76/96/52/1018769652.db2.gz HOJNHNJXTYSKEB-CZTZKLFOSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4ncccc4C)C3)C2)CC[N@H+]1C ZINC001041300301 1018769669 /nfs/dbraw/zinc/76/96/69/1018769669.db2.gz HOJNHNJXTYSKEB-CZTZKLFOSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(Cc4ccccc4F)C3)C2)CC[N@@H+]1C ZINC001041297512 1018770114 /nfs/dbraw/zinc/77/01/14/1018770114.db2.gz QGVRNBBSVBCODV-HGHGUNKESA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(Cc4ccccc4F)C3)C2)CC[N@H+]1C ZINC001041297512 1018770125 /nfs/dbraw/zinc/77/01/25/1018770125.db2.gz QGVRNBBSVBCODV-HGHGUNKESA-N 1 3 359.489 2.590 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901251437 1018869765 /nfs/dbraw/zinc/86/97/65/1018869765.db2.gz IWARKNWORHQJTP-QUCCMNQESA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901251437 1018869783 /nfs/dbraw/zinc/86/97/83/1018869783.db2.gz IWARKNWORHQJTP-QUCCMNQESA-N 1 3 357.498 2.599 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1CCCc1ccc(OC)cc1)CC[NH2+]CC2 ZINC001222216095 1032825470 /nfs/dbraw/zinc/82/54/70/1032825470.db2.gz VYIKBVILQZNASD-LJQANCHMSA-N 1 3 360.498 2.635 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1CC[C@@H](C)CCCC(C)(C)O)CC[NH2+]CC2 ZINC001222216099 1032825935 /nfs/dbraw/zinc/82/59/35/1032825935.db2.gz VZENWVAGTISTNQ-ROUUACIJSA-N 1 3 368.562 2.961 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@@H]2CC[NH2+]C[C@@H]2F)O1 ZINC001217794962 1032871529 /nfs/dbraw/zinc/87/15/29/1032871529.db2.gz PKNTVAKOYVFYJP-NLWGTHIKSA-N 1 3 350.478 2.773 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]21 ZINC001217861254 1032891524 /nfs/dbraw/zinc/89/15/24/1032891524.db2.gz MZVRBDXVLZFILP-CEXWTWQISA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]21 ZINC001217861254 1032891540 /nfs/dbraw/zinc/89/15/40/1032891540.db2.gz MZVRBDXVLZFILP-CEXWTWQISA-N 1 3 365.562 2.597 20 0 FFADHO CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CCN(CCc2ccccn2)CC1 ZINC000900466109 1020433019 /nfs/dbraw/zinc/43/30/19/1020433019.db2.gz WVLLFGHGZHBCCP-NHCUHLMSSA-N 1 3 370.541 2.564 20 0 FFADHO CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CCN(CCc2ccccn2)CC1 ZINC000900466109 1020433021 /nfs/dbraw/zinc/43/30/21/1020433021.db2.gz WVLLFGHGZHBCCP-NHCUHLMSSA-N 1 3 370.541 2.564 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C2CC2)C1 ZINC001098394924 1020869622 /nfs/dbraw/zinc/86/96/22/1020869622.db2.gz UYTYATBDVCGNOV-ZSXPUABSSA-N 1 3 353.510 2.737 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C2CC2)C1 ZINC001098394924 1020869627 /nfs/dbraw/zinc/86/96/27/1020869627.db2.gz UYTYATBDVCGNOV-ZSXPUABSSA-N 1 3 353.510 2.737 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001098844610 1021229905 /nfs/dbraw/zinc/22/99/05/1021229905.db2.gz GAVQJRGEUUIYEO-BUBGKSFDSA-N 1 3 371.525 2.506 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001098844610 1021229908 /nfs/dbraw/zinc/22/99/08/1021229908.db2.gz GAVQJRGEUUIYEO-BUBGKSFDSA-N 1 3 371.525 2.506 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)cc2)cn1 ZINC001116870893 1021463550 /nfs/dbraw/zinc/46/35/50/1021463550.db2.gz JHOVOGCBFHTEQI-NHCUHLMSSA-N 1 3 354.498 2.555 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218101537 1032993244 /nfs/dbraw/zinc/99/32/44/1032993244.db2.gz TZQVTCWUEXMNMK-HSALFYBXSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218101537 1032993253 /nfs/dbraw/zinc/99/32/53/1032993253.db2.gz TZQVTCWUEXMNMK-HSALFYBXSA-N 1 3 365.562 2.597 20 0 FFADHO C[NH2+][C@H](C)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001118196304 1022113692 /nfs/dbraw/zinc/11/36/92/1022113692.db2.gz BDGGDTAFIXETBS-PBHICJAKSA-N 1 3 357.420 2.555 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1 ZINC001099496347 1022631302 /nfs/dbraw/zinc/63/13/02/1022631302.db2.gz HQRUEBKUAHYFDS-VCOUNFBDSA-N 1 3 355.526 2.889 20 0 FFADHO CC1CCN(CC(=O)N2CCC3(CC2)C[C@H]([NH3+])c2ccccc2O3)CC1 ZINC001122237119 1023135655 /nfs/dbraw/zinc/13/56/55/1023135655.db2.gz XAVRZECSHBAWRR-SFHVURJKSA-N 1 3 357.498 2.562 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](c4cccc(F)c4)CC3=O)C[C@@H]2C1 ZINC001120359552 1023314972 /nfs/dbraw/zinc/31/49/72/1023314972.db2.gz MEKLXCHHGPWCHN-AJYBTWMASA-N 1 3 359.489 2.761 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C(c4ccccc4)C3)CC2)CC1 ZINC000758433976 1024113864 /nfs/dbraw/zinc/11/38/64/1024113864.db2.gz XXIIYVUGYLIGMV-UHFFFAOYSA-N 1 3 368.525 2.654 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3n(n2)CCC[C@H]3N)CC1 ZINC001121920791 1024171269 /nfs/dbraw/zinc/17/12/69/1024171269.db2.gz LODGGHRYVNAZFC-MAUKXSAKSA-N 1 3 367.497 2.632 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)cc1 ZINC001218532284 1033204663 /nfs/dbraw/zinc/20/46/63/1033204663.db2.gz DLLGAKLXJVKWSS-HUUCEWRRSA-N 1 3 372.538 2.765 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@@]2(C)C1 ZINC001101400439 1024637058 /nfs/dbraw/zinc/63/70/58/1024637058.db2.gz WNHKVXHTCIDDOA-WBVHZDCISA-N 1 3 363.468 2.841 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@]2(C)C1 ZINC001101400439 1024637060 /nfs/dbraw/zinc/63/70/60/1024637060.db2.gz WNHKVXHTCIDDOA-WBVHZDCISA-N 1 3 363.468 2.841 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001101435293 1024734572 /nfs/dbraw/zinc/73/45/72/1024734572.db2.gz HXAUCBAROHLWLC-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1 ZINC001101438636 1024743374 /nfs/dbraw/zinc/74/33/74/1024743374.db2.gz LKMGJBCVMBRVRM-GGAORHGYSA-N 1 3 369.553 2.797 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1 ZINC001101438636 1024743379 /nfs/dbraw/zinc/74/33/79/1024743379.db2.gz LKMGJBCVMBRVRM-GGAORHGYSA-N 1 3 369.553 2.797 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101476575 1024841249 /nfs/dbraw/zinc/84/12/49/1024841249.db2.gz ZYBOOIYMCCNITM-HBFSDRIKSA-N 1 3 353.526 2.781 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101476575 1024841274 /nfs/dbraw/zinc/84/12/74/1024841274.db2.gz ZYBOOIYMCCNITM-HBFSDRIKSA-N 1 3 353.526 2.781 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047455 1025352438 /nfs/dbraw/zinc/35/24/38/1025352438.db2.gz HOPYBMQJEYPIAR-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047455 1025352456 /nfs/dbraw/zinc/35/24/56/1025352456.db2.gz HOPYBMQJEYPIAR-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)c1 ZINC001102071541 1025391453 /nfs/dbraw/zinc/39/14/53/1025391453.db2.gz OCBJTHQQQSVSLC-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)c1 ZINC001102071541 1025391468 /nfs/dbraw/zinc/39/14/68/1025391468.db2.gz OCBJTHQQQSVSLC-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088117 1025412026 /nfs/dbraw/zinc/41/20/26/1025412026.db2.gz MZGKLFCZQOASLL-DUXKGJEZSA-N 1 3 359.558 2.816 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C1 ZINC001102088117 1025412034 /nfs/dbraw/zinc/41/20/34/1025412034.db2.gz MZGKLFCZQOASLL-DUXKGJEZSA-N 1 3 359.558 2.816 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1C)N(C)C ZINC001102088430 1025413167 /nfs/dbraw/zinc/41/31/67/1025413167.db2.gz VOIQIWLQFWSDLE-IDHHARJASA-N 1 3 367.484 2.532 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1C)N(C)C ZINC001102088430 1025413169 /nfs/dbraw/zinc/41/31/69/1025413169.db2.gz VOIQIWLQFWSDLE-IDHHARJASA-N 1 3 367.484 2.532 20 0 FFADHO CC(C)COC(=O)N1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000089144833 1025486020 /nfs/dbraw/zinc/48/60/20/1025486020.db2.gz AQWUKCWHIMTXEW-HDICACEKSA-N 1 3 369.550 2.722 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC000637719711 1025547655 /nfs/dbraw/zinc/54/76/55/1025547655.db2.gz PXJMOQJJLSNJQZ-YSIASYRMSA-N 1 3 358.530 2.551 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000637719711 1025547665 /nfs/dbraw/zinc/54/76/65/1025547665.db2.gz PXJMOQJJLSNJQZ-YSIASYRMSA-N 1 3 358.530 2.551 20 0 FFADHO C[C@H]([NH3+])c1ccc(NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)cc1 ZINC000637856874 1025595490 /nfs/dbraw/zinc/59/54/90/1025595490.db2.gz IVPQEHFMUUVGQW-ZDUSSCGKSA-N 1 3 367.453 2.576 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102214699 1025595916 /nfs/dbraw/zinc/59/59/16/1025595916.db2.gz AMCPDXKEXXSHIN-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102214699 1025595932 /nfs/dbraw/zinc/59/59/32/1025595932.db2.gz AMCPDXKEXXSHIN-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366713 1025818531 /nfs/dbraw/zinc/81/85/31/1025818531.db2.gz OBQLVUGVOZKQCL-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366713 1025818543 /nfs/dbraw/zinc/81/85/43/1025818543.db2.gz OBQLVUGVOZKQCL-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c1 ZINC001102368359 1025822571 /nfs/dbraw/zinc/82/25/71/1025822571.db2.gz QKXMJBNNUBCTTE-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c1 ZINC001102368359 1025822587 /nfs/dbraw/zinc/82/25/87/1025822587.db2.gz QKXMJBNNUBCTTE-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c(C)c1 ZINC001102369645 1025825760 /nfs/dbraw/zinc/82/57/60/1025825760.db2.gz BHLKQQQVOHTFGY-FBBABVLZSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c(C)c1 ZINC001102369645 1025825782 /nfs/dbraw/zinc/82/57/82/1025825782.db2.gz BHLKQQQVOHTFGY-FBBABVLZSA-N 1 3 357.542 2.829 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370129 1025825867 /nfs/dbraw/zinc/82/58/67/1025825867.db2.gz RRBNJQDLUCYSDQ-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370129 1025825878 /nfs/dbraw/zinc/82/58/78/1025825878.db2.gz RRBNJQDLUCYSDQ-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372918 1025835634 /nfs/dbraw/zinc/83/56/34/1025835634.db2.gz QFKPYKMWSOEEID-MBOZVWFJSA-N 1 3 355.542 2.929 20 0 FFADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372918 1025835657 /nfs/dbraw/zinc/83/56/57/1025835657.db2.gz QFKPYKMWSOEEID-MBOZVWFJSA-N 1 3 355.542 2.929 20 0 FFADHO Cc1cccnc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375458 1025842974 /nfs/dbraw/zinc/84/29/74/1025842974.db2.gz KVBFZTLQERGCBX-QZTJIDSGSA-N 1 3 360.546 2.552 20 0 FFADHO Cc1cccnc1C[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375458 1025842994 /nfs/dbraw/zinc/84/29/94/1025842994.db2.gz KVBFZTLQERGCBX-QZTJIDSGSA-N 1 3 360.546 2.552 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001102378335 1025847901 /nfs/dbraw/zinc/84/79/01/1025847901.db2.gz SYOMEEDSBZSPNA-POAQFYNOSA-N 1 3 363.521 2.783 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001102378335 1025847913 /nfs/dbraw/zinc/84/79/13/1025847913.db2.gz SYOMEEDSBZSPNA-POAQFYNOSA-N 1 3 363.521 2.783 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C)N(C)C ZINC001102380586 1025854272 /nfs/dbraw/zinc/85/42/72/1025854272.db2.gz NROSKPSILNZTMQ-OIISXLGYSA-N 1 3 359.505 2.836 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C)N(C)C ZINC001102380586 1025854290 /nfs/dbraw/zinc/85/42/90/1025854290.db2.gz NROSKPSILNZTMQ-OIISXLGYSA-N 1 3 359.505 2.836 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)CCN1Cc1ccccc1 ZINC000638722325 1025950163 /nfs/dbraw/zinc/95/01/63/1025950163.db2.gz QUWFOPHGOOXCQU-WIYYLYMNSA-N 1 3 359.558 2.864 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1C ZINC001102472180 1026039268 /nfs/dbraw/zinc/03/92/68/1026039268.db2.gz MREGLCICMJCPNK-RTBURBONSA-N 1 3 360.546 2.778 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C ZINC001102472180 1026039277 /nfs/dbraw/zinc/03/92/77/1026039277.db2.gz MREGLCICMJCPNK-RTBURBONSA-N 1 3 360.546 2.778 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514416 1026183186 /nfs/dbraw/zinc/18/31/86/1026183186.db2.gz WTCRTOIRFJGXHA-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514416 1026183191 /nfs/dbraw/zinc/18/31/91/1026183191.db2.gz WTCRTOIRFJGXHA-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO CO[C@](C)(CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000639162005 1026201765 /nfs/dbraw/zinc/20/17/65/1026201765.db2.gz ODDOVHKCNMDDND-FGZHOGPDSA-N 1 3 357.542 2.694 20 0 FFADHO CO[C@](C)(CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000639162005 1026201775 /nfs/dbraw/zinc/20/17/75/1026201775.db2.gz ODDOVHKCNMDDND-FGZHOGPDSA-N 1 3 357.542 2.694 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1C[C@@H](C[N@@H+]1CCC[C@H](CO)[C@H]1C)c1ccccc1 ZINC000639677323 1026428745 /nfs/dbraw/zinc/42/87/45/1026428745.db2.gz LRCGSDYCTGWNPD-MRWXXAKJSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1C[C@@H](C[N@H+]1CCC[C@H](CO)[C@H]1C)c1ccccc1 ZINC000639677323 1026428750 /nfs/dbraw/zinc/42/87/50/1026428750.db2.gz LRCGSDYCTGWNPD-MRWXXAKJSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@@H](CN1CCC[C@H](CO)[C@H]1C)c1ccccc1 ZINC000639677323 1026428755 /nfs/dbraw/zinc/42/87/55/1026428755.db2.gz LRCGSDYCTGWNPD-MRWXXAKJSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](CN1CCC[C@H](CO)[C@H]1C)c1ccccc1 ZINC000639677323 1026428760 /nfs/dbraw/zinc/42/87/60/1026428760.db2.gz LRCGSDYCTGWNPD-MRWXXAKJSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(C[C@@H](C[N@H+]2C[C@H](CO)C[C@H](C)C2)c2ccccc2)C1 ZINC000639675073 1026429173 /nfs/dbraw/zinc/42/91/73/1026429173.db2.gz QAZGVKRCNCKEEX-OWBJTGOYSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(C[C@@H](C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c2ccccc2)C1 ZINC000639675073 1026429178 /nfs/dbraw/zinc/42/91/78/1026429178.db2.gz QAZGVKRCNCKEEX-OWBJTGOYSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](CN2C[C@H](CO)C[C@H](C)C2)c2ccccc2)C1 ZINC000639675073 1026429182 /nfs/dbraw/zinc/42/91/82/1026429182.db2.gz QAZGVKRCNCKEEX-OWBJTGOYSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](CN2C[C@H](CO)C[C@H](C)C2)c2ccccc2)C1 ZINC000639675073 1026429189 /nfs/dbraw/zinc/42/91/89/1026429189.db2.gz QAZGVKRCNCKEEX-OWBJTGOYSA-N 1 3 374.569 2.671 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757657 1026457594 /nfs/dbraw/zinc/45/75/94/1026457594.db2.gz LAYFXJAZCYBBHG-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO CON(C)C(=O)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000839604488 1026754877 /nfs/dbraw/zinc/75/48/77/1026754877.db2.gz NCJJRYGCTZNTGV-UHFFFAOYSA-N 1 3 359.514 2.904 20 0 FFADHO C[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H](C)CN1Cc1ccccc1 ZINC001158521634 1027051573 /nfs/dbraw/zinc/05/15/73/1027051573.db2.gz IOOYVUXLDMKAEP-RTBURBONSA-N 1 3 365.525 2.590 20 0 FFADHO N[C@H](CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001158579502 1027066347 /nfs/dbraw/zinc/06/63/47/1027066347.db2.gz UGTUMCVVKPGBLW-BPLDGKMQSA-N 1 3 373.394 2.631 20 0 FFADHO Cn1cncc1CN1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001204386565 1027130645 /nfs/dbraw/zinc/13/06/45/1027130645.db2.gz STBCXHYUUIEBTG-INIZCTEOSA-N 1 3 360.527 2.737 20 0 FFADHO Cn1cncc1CN1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001204386565 1027130653 /nfs/dbraw/zinc/13/06/53/1027130653.db2.gz STBCXHYUUIEBTG-INIZCTEOSA-N 1 3 360.527 2.737 20 0 FFADHO O=c1[nH]c2ccc(CNCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc2[nH]1 ZINC000641718730 1027276606 /nfs/dbraw/zinc/27/66/06/1027276606.db2.gz XKGFRHGGTYUKMC-UHFFFAOYSA-N 1 3 366.465 2.515 20 0 FFADHO C[NH+]1CCC2(CCC(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CC2)CC1 ZINC001159518158 1027418311 /nfs/dbraw/zinc/41/83/11/1027418311.db2.gz FHFVMCJPFHREQO-HXUWFJFHSA-N 1 3 353.526 2.970 20 0 FFADHO O=C(c1ccc(NC2=CC[NH2+]C2)cc1)N1CCN(C2CCCCC2)CC1 ZINC001159529834 1027423209 /nfs/dbraw/zinc/42/32/09/1027423209.db2.gz SUVQNBGZLKZVFF-UHFFFAOYSA-N 1 3 354.498 2.676 20 0 FFADHO Cc1ncsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103434160 1027475767 /nfs/dbraw/zinc/47/57/67/1027475767.db2.gz SDNNVGPOGWEJMV-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103434160 1027475775 /nfs/dbraw/zinc/47/57/75/1027475775.db2.gz SDNNVGPOGWEJMV-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438717 1027485600 /nfs/dbraw/zinc/48/56/00/1027485600.db2.gz YGXKDXPOWKDJBT-HUUCEWRRSA-N 1 3 363.468 2.745 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438717 1027485612 /nfs/dbraw/zinc/48/56/12/1027485612.db2.gz YGXKDXPOWKDJBT-HUUCEWRRSA-N 1 3 363.468 2.745 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438635 1027485828 /nfs/dbraw/zinc/48/58/28/1027485828.db2.gz UBHLKXVAWNTWNZ-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438635 1027485835 /nfs/dbraw/zinc/48/58/35/1027485835.db2.gz UBHLKXVAWNTWNZ-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001103444018 1027492375 /nfs/dbraw/zinc/49/23/75/1027492375.db2.gz WWSYJZFWYVMZJI-NUJGCVRESA-N 1 3 351.560 2.705 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001103444018 1027492384 /nfs/dbraw/zinc/49/23/84/1027492384.db2.gz WWSYJZFWYVMZJI-NUJGCVRESA-N 1 3 351.560 2.705 20 0 FFADHO CN1CCN(Cc2ccc(Nc3ccc(O[C@H]4CC[NH2+]C4)cc3)cc2)CC1 ZINC001159923967 1027534085 /nfs/dbraw/zinc/53/40/85/1027534085.db2.gz SDFJFSMGHIXYAS-QFIPXVFZSA-N 1 3 366.509 2.918 20 0 FFADHO [NH3+][C@@H]1CCc2c3ccccc3n(-c3nc(Cl)nc4c3CNCC4)c2C1 ZINC001159943124 1027540181 /nfs/dbraw/zinc/54/01/81/1027540181.db2.gz JZRLQZAOZKIBEO-LLVKDONJSA-N 1 3 353.857 2.536 20 0 FFADHO O=C1OCCN1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248411134 1027608859 /nfs/dbraw/zinc/60/88/59/1027608859.db2.gz YVOVGBSJRSWUHJ-HSALFYBXSA-N 1 3 357.498 2.719 20 0 FFADHO CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)cc1 ZINC001161569817 1028232868 /nfs/dbraw/zinc/23/28/68/1028232868.db2.gz CMYYMSSXTGLODC-HKUYNNGSSA-N 1 3 359.514 2.507 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCc3ccc(Br)nc3)n2)CC1 ZINC001154694439 1028411634 /nfs/dbraw/zinc/41/16/34/1028411634.db2.gz XSXLFUNZPLZRCC-UHFFFAOYSA-N 1 3 362.275 2.779 20 0 FFADHO COC(=O)c1cccc(CN(c2cccc(N)n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162190324 1028464831 /nfs/dbraw/zinc/46/48/31/1028464831.db2.gz TVXIZPJOMDZLMF-QAQDUYKDSA-N 1 3 354.454 2.727 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000644569306 1028557870 /nfs/dbraw/zinc/55/78/70/1028557870.db2.gz GXHBTEHYUXTGKX-KRWDZBQOSA-N 1 3 372.513 2.606 20 0 FFADHO [NH3+]CCc1cn(-c2nc(Cl)nc3c2CNCC3)c2cccc(Cl)c12 ZINC001162653645 1028611235 /nfs/dbraw/zinc/61/12/35/1028611235.db2.gz BTHZZHQTZMXFII-UHFFFAOYSA-N 1 3 362.264 2.874 20 0 FFADHO c1cc2c(s1)[C@H](Nc1nc(C3CC[NH2+]CC3)cc3nc[nH]c31)CNC2 ZINC001163219583 1028845397 /nfs/dbraw/zinc/84/53/97/1028845397.db2.gz BIDXDPDIRITZCK-OAHLLOKOSA-N 1 3 354.483 2.743 20 0 FFADHO CCOC(=O)c1cnc2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cc2c1 ZINC001164213547 1029205792 /nfs/dbraw/zinc/20/57/92/1029205792.db2.gz VXIMHINXJNNJSM-UHFFFAOYSA-N 1 3 370.497 2.849 20 0 FFADHO CCOC(=O)c1nccc2cc(NCC3(N(C)C)CC[NH+](C)CC3)ccc21 ZINC001164217315 1029208581 /nfs/dbraw/zinc/20/85/81/1029208581.db2.gz VHCGERBSRRLRJM-UHFFFAOYSA-N 1 3 370.497 2.849 20 0 FFADHO CC[C@H](C)c1nc2[nH]ccc2c(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157848031 1029674845 /nfs/dbraw/zinc/67/48/45/1029674845.db2.gz NTHUJQPZIRRYAI-INIZCTEOSA-N 1 3 370.545 2.935 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccnc1C)C2 ZINC001111949618 1029790595 /nfs/dbraw/zinc/79/05/95/1029790595.db2.gz PAYFLZXOXHWQQN-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccnc1C)C2 ZINC001111949618 1029790601 /nfs/dbraw/zinc/79/06/01/1029790601.db2.gz PAYFLZXOXHWQQN-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC[NH2+]CC1 ZINC000841018279 1029979395 /nfs/dbraw/zinc/97/93/95/1029979395.db2.gz RYUDLYMZAXLPEX-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC001165623495 1030060025 /nfs/dbraw/zinc/06/00/25/1030060025.db2.gz MJDNROUKIWCBFB-UHFFFAOYSA-N 1 3 372.557 2.778 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112141900 1030091005 /nfs/dbraw/zinc/09/10/05/1030091005.db2.gz DAWUWJRNRVNMIR-HUUCEWRRSA-N 1 3 361.452 2.806 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000841607438 1030364352 /nfs/dbraw/zinc/36/43/52/1030364352.db2.gz FMZADBCTZHXXBQ-OAQYLSRUSA-N 1 3 366.509 2.824 20 0 FFADHO CCc1nc(C)c(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)[nH]1 ZINC001203240514 1030648881 /nfs/dbraw/zinc/64/88/81/1030648881.db2.gz IJMZRYHJDLBSCQ-UHFFFAOYSA-N 1 3 356.518 2.521 20 0 FFADHO COc1ccccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001203431563 1030694090 /nfs/dbraw/zinc/69/40/90/1030694090.db2.gz BKIDYAVGCGDJMJ-WOJBJXKFSA-N 1 3 371.525 2.602 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001112413547 1030771220 /nfs/dbraw/zinc/77/12/20/1030771220.db2.gz SYKKKNUAXLSZIN-ZOBUZTSGSA-N 1 3 363.468 2.743 20 0 FFADHO c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CN4CCC[C@H]4CO3)CC23CC3)cc1 ZINC000842677937 1030894802 /nfs/dbraw/zinc/89/48/02/1030894802.db2.gz NBALXRXDSKLBRN-ACRUOGEOSA-N 1 3 355.526 2.636 20 0 FFADHO O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000843126314 1031193424 /nfs/dbraw/zinc/19/34/24/1031193424.db2.gz JAZSXXDMZXRXFL-PMACEKPBSA-N 1 3 357.498 2.719 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c1 ZINC001204521479 1031330630 /nfs/dbraw/zinc/33/06/30/1031330630.db2.gz FLQSXJAJLWJZDR-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c1 ZINC001204521479 1031330643 /nfs/dbraw/zinc/33/06/43/1031330643.db2.gz FLQSXJAJLWJZDR-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO C[C@]1([NH3+])CCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001204782812 1031438975 /nfs/dbraw/zinc/43/89/75/1031438975.db2.gz KDBIGRXLIFHSGG-QHCPKHFHSA-N 1 3 364.537 2.932 20 0 FFADHO C[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)CC[C@@H]1C[NH3+] ZINC001205617609 1031875481 /nfs/dbraw/zinc/87/54/81/1031875481.db2.gz LKSQTIPJXFIAPI-VXGBXAGGSA-N 1 3 355.276 2.985 20 0 FFADHO O=C(Nc1cc([C@H]2CCCN2)no1)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218710487 1033295295 /nfs/dbraw/zinc/29/52/95/1033295295.db2.gz GKTPXWVXWUMNJU-QGZVFWFLSA-N 1 3 364.449 2.756 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)cc1F ZINC001223378769 1033419129 /nfs/dbraw/zinc/41/91/29/1033419129.db2.gz MFKPLLIXGPYKOH-QUCCMNQESA-N 1 3 361.505 2.899 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc2[nH]ccc2cc1Br ZINC001218980588 1033441640 /nfs/dbraw/zinc/44/16/40/1033441640.db2.gz GTLBRAGVZGZUBW-ZDUSSCGKSA-N 1 3 367.291 2.928 20 0 FFADHO CC(=O)Oc1cccc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001138038680 1033605924 /nfs/dbraw/zinc/60/59/24/1033605924.db2.gz USKIFZVVTKXXAZ-NRFANRHFSA-N 1 3 360.498 2.935 20 0 FFADHO CC(=O)Oc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001138038680 1033605928 /nfs/dbraw/zinc/60/59/28/1033605928.db2.gz USKIFZVVTKXXAZ-NRFANRHFSA-N 1 3 360.498 2.935 20 0 FFADHO N[C@H](CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC001219611316 1033712480 /nfs/dbraw/zinc/71/24/80/1033712480.db2.gz XPOHHVMDBNBABE-YPMHNXCESA-N 1 3 369.309 2.506 20 0 FFADHO Cc1nccc2c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc12 ZINC001220049913 1033962059 /nfs/dbraw/zinc/96/20/59/1033962059.db2.gz KYLFPVHVPXLLQW-HNNXBMFYSA-N 1 3 357.502 2.937 20 0 FFADHO Cc1nccc2c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc12 ZINC001220049913 1033962069 /nfs/dbraw/zinc/96/20/69/1033962069.db2.gz KYLFPVHVPXLLQW-HNNXBMFYSA-N 1 3 357.502 2.937 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001220161241 1034013129 /nfs/dbraw/zinc/01/31/29/1034013129.db2.gz AVMSUMNVOXMNAO-CMKODMSKSA-N 1 3 361.555 2.594 20 0 FFADHO C[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1C(F)(F)F ZINC001220558898 1034253693 /nfs/dbraw/zinc/25/36/93/1034253693.db2.gz QIQDJBXEWANIAE-SWLSCSKDSA-N 1 3 355.404 2.757 20 0 FFADHO C[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1C(F)(F)F ZINC001220558898 1034253705 /nfs/dbraw/zinc/25/37/05/1034253705.db2.gz QIQDJBXEWANIAE-SWLSCSKDSA-N 1 3 355.404 2.757 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCc1cc(C(F)(F)F)ccc1F ZINC001220624159 1034298067 /nfs/dbraw/zinc/29/80/67/1034298067.db2.gz GFBYGIWWMNMLAD-HNNXBMFYSA-N 1 3 363.399 2.562 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)c2)CC1 ZINC001138501590 1034344447 /nfs/dbraw/zinc/34/44/47/1034344447.db2.gz YXNZCZPYMYAVJR-UYAOXDASSA-N 1 3 356.514 2.784 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)c2)CC1 ZINC001138501590 1034344459 /nfs/dbraw/zinc/34/44/59/1034344459.db2.gz YXNZCZPYMYAVJR-UYAOXDASSA-N 1 3 356.514 2.784 20 0 FFADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408244 1034718566 /nfs/dbraw/zinc/71/85/66/1034718566.db2.gz HMUIHAAEPJFGBB-FCHUYYIVSA-N 1 3 363.505 2.728 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C)cc1)N(C)C ZINC001227038635 1034917063 /nfs/dbraw/zinc/91/70/63/1034917063.db2.gz JHVDDFYVWVFMJT-VAMGGRTRSA-N 1 3 361.530 2.731 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)CC1 ZINC001139557007 1035162544 /nfs/dbraw/zinc/16/25/44/1035162544.db2.gz HZKZYKSZMSADIH-UHFFFAOYSA-N 1 3 353.514 2.536 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCOC)C[C@H]21 ZINC001221933813 1035164907 /nfs/dbraw/zinc/16/49/07/1035164907.db2.gz PGNGVKSTTOLWLH-VAMGGRTRSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCOC)C[C@H]21 ZINC001221933813 1035164910 /nfs/dbraw/zinc/16/49/10/1035164910.db2.gz PGNGVKSTTOLWLH-VAMGGRTRSA-N 1 3 365.562 2.600 20 0 FFADHO CN1CC[NH+](C2CCN(Cc3ccc(-c4ccccn4)cc3)CC2)CC1 ZINC001140378921 1035459123 /nfs/dbraw/zinc/45/91/23/1035459123.db2.gz GCMTXAFIYTYVKA-UHFFFAOYSA-N 1 3 350.510 2.960 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)c(C)n1 ZINC001228444525 1036116863 /nfs/dbraw/zinc/11/68/63/1036116863.db2.gz BTBGLYXTIXDKPN-VAMGGRTRSA-N 1 3 360.546 2.802 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1)[NH+](CC)CC ZINC001228558794 1036176729 /nfs/dbraw/zinc/17/67/29/1036176729.db2.gz FDFXYMQFNKODDR-BRWVUGGUSA-N 1 3 352.548 2.781 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1)[NH+](CC)CC ZINC001228558795 1036177177 /nfs/dbraw/zinc/17/71/77/1036177177.db2.gz FDFXYMQFNKODDR-ZACQAIPSSA-N 1 3 352.548 2.781 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)N(C)C)cc1 ZINC001228953125 1036428188 /nfs/dbraw/zinc/42/81/88/1036428188.db2.gz GJHOHAXVPCQMON-MAUKXSAKSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@@H]2C)N(C)C)cc1 ZINC001228953125 1036428199 /nfs/dbraw/zinc/42/81/99/1036428199.db2.gz GJHOHAXVPCQMON-MAUKXSAKSA-N 1 3 364.559 2.795 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OC)cc1)N(C)C ZINC001229745767 1036866205 /nfs/dbraw/zinc/86/62/05/1036866205.db2.gz ATFFXWZAGIDONK-AQNXPRMDSA-N 1 3 361.530 2.595 20 0 FFADHO Fc1cncc(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001207021975 1037065441 /nfs/dbraw/zinc/06/54/41/1037065441.db2.gz CJHZJEIHTNARGK-UHFFFAOYSA-N 1 3 370.472 2.730 20 0 FFADHO CN(C)CCN1c2ccccc2C2(CCN(c3cc[nH+]cc3)CC2)C1=O ZINC001277880958 1037152965 /nfs/dbraw/zinc/15/29/65/1037152965.db2.gz RXPUMJRFYGPRCN-UHFFFAOYSA-N 1 3 350.466 2.528 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc(F)c4ccoc43)C2)C1=O ZINC001277889498 1037174979 /nfs/dbraw/zinc/17/49/79/1037174979.db2.gz KCRJLIHFHVJWQC-HXUWFJFHSA-N 1 3 359.445 2.558 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c4ccoc43)C2)C1=O ZINC001277889498 1037174990 /nfs/dbraw/zinc/17/49/90/1037174990.db2.gz KCRJLIHFHVJWQC-HXUWFJFHSA-N 1 3 359.445 2.558 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc4ncsc4c3)CC2)C1=O ZINC001277903304 1037218899 /nfs/dbraw/zinc/21/88/99/1037218899.db2.gz BQBODQYPGGYLHG-UHFFFAOYSA-N 1 3 372.538 2.672 20 0 FFADHO CN(C)CC(C)(C)C[NH+]1CCC2(C[C@H](N(C)Cc3ccco3)CO2)CC1 ZINC001207279743 1037307379 /nfs/dbraw/zinc/30/73/79/1037307379.db2.gz IWTHRMKYOKEJIO-SFHVURJKSA-N 1 3 363.546 2.923 20 0 FFADHO COCCN(CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207282339 1037315550 /nfs/dbraw/zinc/31/55/50/1037315550.db2.gz IXOBBRNYAJZZOZ-UHFFFAOYSA-N 1 3 371.566 2.922 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001207491860 1037491530 /nfs/dbraw/zinc/49/15/30/1037491530.db2.gz DORRBJXVIXDWQD-OHTSDLOESA-N 1 3 367.534 2.619 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207540767 1037534173 /nfs/dbraw/zinc/53/41/73/1037534173.db2.gz CTHQWLPWXDJTDV-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207540767 1037534177 /nfs/dbraw/zinc/53/41/77/1037534177.db2.gz CTHQWLPWXDJTDV-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCCCc1ccccc1)CC2 ZINC001207612671 1037601408 /nfs/dbraw/zinc/60/14/08/1037601408.db2.gz CWWLVRJHKYLWMA-UHFFFAOYSA-N 1 3 367.537 2.833 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCCCc1ccccc1)CC2 ZINC001207612671 1037601417 /nfs/dbraw/zinc/60/14/17/1037601417.db2.gz CWWLVRJHKYLWMA-UHFFFAOYSA-N 1 3 367.537 2.833 20 0 FFADHO c1nc(CNC2CCC2)c2n1CCCN(Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001235557553 1037623579 /nfs/dbraw/zinc/62/35/79/1037623579.db2.gz MALIIWLMXJYBNG-UHFFFAOYSA-N 1 3 371.554 2.638 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207652851 1037631714 /nfs/dbraw/zinc/63/17/14/1037631714.db2.gz PHSZPHDMSFOZBA-UIFIKXQLSA-N 1 3 359.558 2.814 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207652851 1037631717 /nfs/dbraw/zinc/63/17/17/1037631717.db2.gz PHSZPHDMSFOZBA-UIFIKXQLSA-N 1 3 359.558 2.814 20 0 FFADHO FC(F)(F)Oc1ccc(OC2CC[NH+](CC[C@H]3CNCCO3)CC2)cc1 ZINC001235676263 1037676928 /nfs/dbraw/zinc/67/69/28/1037676928.db2.gz ZNBBTZCEDONLHL-KRWDZBQOSA-N 1 3 374.403 2.807 20 0 FFADHO C[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001207789925 1037729358 /nfs/dbraw/zinc/72/93/58/1037729358.db2.gz JGUOXVUIYFMJFQ-BHIYHBOVSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001207789925 1037729374 /nfs/dbraw/zinc/72/93/74/1037729374.db2.gz JGUOXVUIYFMJFQ-BHIYHBOVSA-N 1 3 365.562 2.645 20 0 FFADHO Brc1cccc([C@@H]2CN(CC[C@@H]3CCC[NH2+]C3)CCN2)c1 ZINC001235796627 1037749515 /nfs/dbraw/zinc/74/95/15/1037749515.db2.gz TWUXIYBBFHWVMK-YOEHRIQHSA-N 1 3 352.320 2.785 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]1CNCC2 ZINC001236037863 1037895706 /nfs/dbraw/zinc/89/57/06/1037895706.db2.gz DLOPKSIJHZPMMF-DENIHFKCSA-N 1 3 365.477 2.723 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]1CNCC2 ZINC001236037863 1037895733 /nfs/dbraw/zinc/89/57/33/1037895733.db2.gz DLOPKSIJHZPMMF-DENIHFKCSA-N 1 3 365.477 2.723 20 0 FFADHO COc1cc(Br)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1O ZINC001236320229 1038041077 /nfs/dbraw/zinc/04/10/77/1038041077.db2.gz NCGSQIRHKUYWHA-TXEJJXNPSA-N 1 3 355.276 2.595 20 0 FFADHO COc1ccnc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccco4)CO3)CC2)c1 ZINC001231967465 1038059508 /nfs/dbraw/zinc/05/95/08/1038059508.db2.gz XSJGHHSHLZSVOK-SFHVURJKSA-N 1 3 371.481 2.939 20 0 FFADHO COc1ccc(CN(Cc2nc3c(s2)CNCC3)C2CC[NH2+]CC2)cc1 ZINC001236445596 1038091166 /nfs/dbraw/zinc/09/11/66/1038091166.db2.gz APLFIDFOFHQJAT-UHFFFAOYSA-N 1 3 372.538 2.552 20 0 FFADHO CCN(Cc1cccc(C[NH3+])c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001236633761 1038165267 /nfs/dbraw/zinc/16/52/67/1038165267.db2.gz LCZQJZJTDOROTA-QFIPXVFZSA-N 1 3 353.510 2.868 20 0 FFADHO COC1CC[NH+](C2CCN(Cc3cc(F)cc(CN(C)C)c3)CC2)CC1 ZINC001232151079 1038201384 /nfs/dbraw/zinc/20/13/84/1038201384.db2.gz LSJSXPBKHUOFPX-UHFFFAOYSA-N 1 3 363.521 2.963 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc(C4CCC4)cc3)C2)C1=O ZINC001278011131 1038273202 /nfs/dbraw/zinc/27/32/02/1038273202.db2.gz CKUVQONKQZPPDT-QFIPXVFZSA-N 1 3 355.526 2.940 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)C1=O ZINC001278011131 1038273206 /nfs/dbraw/zinc/27/32/06/1038273206.db2.gz CKUVQONKQZPPDT-QFIPXVFZSA-N 1 3 355.526 2.940 20 0 FFADHO COc1ccc(CCN2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC001256070800 1038357191 /nfs/dbraw/zinc/35/71/91/1038357191.db2.gz GOYKUJKXBNJTIJ-UHFFFAOYSA-N 1 3 357.542 2.919 20 0 FFADHO c1ccc(C[N@H+]2CCCC[C@H]2CN2CCN(C3CCOCC3)CC2)cc1 ZINC001208588364 1038428976 /nfs/dbraw/zinc/42/89/76/1038428976.db2.gz GXSOKLVNYMNZET-QFIPXVFZSA-N 1 3 357.542 2.838 20 0 FFADHO c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCN(C3CCOCC3)CC2)cc1 ZINC001208588364 1038428982 /nfs/dbraw/zinc/42/89/82/1038428982.db2.gz GXSOKLVNYMNZET-QFIPXVFZSA-N 1 3 357.542 2.838 20 0 FFADHO CC(=O)N1CCC(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)CC1 ZINC001208679138 1038483968 /nfs/dbraw/zinc/48/39/68/1038483968.db2.gz YSTDDJXALDJDQM-UHFFFAOYSA-N 1 3 359.514 2.826 20 0 FFADHO COC(=O)[C@@H](C)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001208714046 1038496555 /nfs/dbraw/zinc/49/65/55/1038496555.db2.gz RVSOYDRNTROEES-PKOBYXMFSA-N 1 3 360.498 2.551 20 0 FFADHO CN(C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001256444612 1038515619 /nfs/dbraw/zinc/51/56/19/1038515619.db2.gz IDTTXNQUWBEDDQ-TUFLPTIASA-N 1 3 370.541 2.633 20 0 FFADHO CN(C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001256444612 1038515623 /nfs/dbraw/zinc/51/56/23/1038515623.db2.gz IDTTXNQUWBEDDQ-TUFLPTIASA-N 1 3 370.541 2.633 20 0 FFADHO CCOC1CCC(N2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)CC1 ZINC001256447697 1038517156 /nfs/dbraw/zinc/51/71/56/1038517156.db2.gz RBICVEUDTDSIGJ-LRYGQEGESA-N 1 3 352.519 2.684 20 0 FFADHO CCOC1CCC(N2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)CC1 ZINC001256447697 1038517159 /nfs/dbraw/zinc/51/71/59/1038517159.db2.gz RBICVEUDTDSIGJ-LRYGQEGESA-N 1 3 352.519 2.684 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521888 1038542772 /nfs/dbraw/zinc/54/27/72/1038542772.db2.gz FMGMLADGUYXNHM-RDJZCZTQSA-N 1 3 356.470 2.744 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521888 1038542778 /nfs/dbraw/zinc/54/27/78/1038542778.db2.gz FMGMLADGUYXNHM-RDJZCZTQSA-N 1 3 356.470 2.744 20 0 FFADHO C[C@@H]1C[C@@H](NCCOc2ccc(C(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256529303 1038546080 /nfs/dbraw/zinc/54/60/80/1038546080.db2.gz SAPLAEWCTVOOMQ-XLIONFOSSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@@H]1C[C@@H](NCCOc2ccc(C(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256529303 1038546084 /nfs/dbraw/zinc/54/60/84/1038546084.db2.gz SAPLAEWCTVOOMQ-XLIONFOSSA-N 1 3 367.493 2.807 20 0 FFADHO CC(C)([NH3+])CN(C1CCN(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 ZINC001256563941 1038561618 /nfs/dbraw/zinc/56/16/18/1038561618.db2.gz JTPICTZZWTXWCN-UHFFFAOYSA-N 1 3 367.559 2.678 20 0 FFADHO CC(C)(C)[NH+]1CCC(N2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)CC1 ZINC001256571542 1038566166 /nfs/dbraw/zinc/56/61/66/1038566166.db2.gz BJACBJLBJZTPOX-OAQYLSRUSA-N 1 3 356.514 2.773 20 0 FFADHO COCC[N@H+](C[C@H]1CCCN(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208937361 1038594340 /nfs/dbraw/zinc/59/43/40/1038594340.db2.gz SHZWSRCGCGQSAL-NRFANRHFSA-N 1 3 359.558 2.941 20 0 FFADHO COCC[N@@H+](C[C@H]1CCCN(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208937361 1038594341 /nfs/dbraw/zinc/59/43/41/1038594341.db2.gz SHZWSRCGCGQSAL-NRFANRHFSA-N 1 3 359.558 2.941 20 0 FFADHO CCOC(=O)c1csc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683727 1038601399 /nfs/dbraw/zinc/60/13/99/1038601399.db2.gz GKAGTTJWDYMYCZ-UHFFFAOYSA-N 1 3 352.500 2.658 20 0 FFADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686381 1038603024 /nfs/dbraw/zinc/60/30/24/1038603024.db2.gz OLHXJNXCTRHRAD-POSCCBCBSA-N 1 3 352.519 2.731 20 0 FFADHO c1ccc(CN2C[C@@H]3C[NH+](C4CCC(N5CCOCC5)CC4)C[C@H]3C2)cc1 ZINC001256697448 1038606214 /nfs/dbraw/zinc/60/62/14/1038606214.db2.gz CNYGTHVRWNOSIQ-KBFCKHRLSA-N 1 3 369.553 2.694 20 0 FFADHO CCn1ncc2c1[C@H](COC)CN(C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256860046 1038637647 /nfs/dbraw/zinc/63/76/47/1038637647.db2.gz WOAXCUPNVJLRBL-KRWDZBQOSA-N 1 3 355.486 2.513 20 0 FFADHO CCOC(=O)CC[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001209032702 1038641878 /nfs/dbraw/zinc/64/18/78/1038641878.db2.gz AAZQLQIWAGYROU-IBGZPJMESA-N 1 3 360.498 2.695 20 0 FFADHO c1cncc(CN2CCC3(CN([C@H]4CCC[N@@H+](C5CCCC5)C4)C3)C2)c1 ZINC001256913107 1038653864 /nfs/dbraw/zinc/65/38/64/1038653864.db2.gz HZMAKLKYRFVLAY-NRFANRHFSA-N 1 3 354.542 2.996 20 0 FFADHO c1cncc(CN2CCC3(CN([C@H]4CCC[N@H+](C5CCCC5)C4)C3)C2)c1 ZINC001256913107 1038653866 /nfs/dbraw/zinc/65/38/66/1038653866.db2.gz HZMAKLKYRFVLAY-NRFANRHFSA-N 1 3 354.542 2.996 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001209134296 1038677344 /nfs/dbraw/zinc/67/73/44/1038677344.db2.gz MNNHHJXCSAPCMP-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3N3CCC(O)CC3)C2)C1 ZINC001278990354 1038709695 /nfs/dbraw/zinc/70/96/95/1038709695.db2.gz XLFFVJWSXVRIDU-JOCHJYFZSA-N 1 3 357.542 2.956 20 0 FFADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3N3CCC(O)CC3)C2)C1 ZINC001278990354 1038709700 /nfs/dbraw/zinc/70/97/00/1038709700.db2.gz XLFFVJWSXVRIDU-JOCHJYFZSA-N 1 3 357.542 2.956 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4cccnc4F)C[C@H]3CC2)n(C)n1 ZINC001278996798 1038730284 /nfs/dbraw/zinc/73/02/84/1038730284.db2.gz VNEDINPFATVWTL-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4cccnc4F)C[C@H]3CC2)n(C)n1 ZINC001278996798 1038730291 /nfs/dbraw/zinc/73/02/91/1038730291.db2.gz VNEDINPFATVWTL-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO c1cncc(O[C@@H]2COC3(C2)CC[NH+](CCCN2CCCCC2)CC3)c1 ZINC001209450359 1038874471 /nfs/dbraw/zinc/87/44/71/1038874471.db2.gz PTXMVANAXAJQTO-FQEVSTJZSA-N 1 3 359.514 2.960 20 0 FFADHO c1cc([C@]23CC[NH2+][C@H]2COCC3)ccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245423506 1038998983 /nfs/dbraw/zinc/99/89/83/1038998983.db2.gz IHVLJJSNZFKZOO-RJGXRXQPSA-N 1 3 368.521 2.975 20 0 FFADHO COc1cccnc1C1(CNC2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC001258007626 1039105981 /nfs/dbraw/zinc/10/59/81/1039105981.db2.gz KFYKWQJAZSKXQO-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO COc1cccnc1C1(C[NH2+]C2CCN(CC(C)C)CC2)CCOCC1 ZINC001258007626 1039105987 /nfs/dbraw/zinc/10/59/87/1039105987.db2.gz KFYKWQJAZSKXQO-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@@H]1CCCCN1C ZINC001251411212 1039115997 /nfs/dbraw/zinc/11/59/97/1039115997.db2.gz CUTZYFNXWOMDCV-HNNXBMFYSA-N 1 3 366.472 2.777 20 0 FFADHO Cc1onc(-c2ccccc2)c1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001279073866 1039161766 /nfs/dbraw/zinc/16/17/66/1039161766.db2.gz XUNRADGCJOZIDI-UHFFFAOYSA-N 1 3 354.498 2.719 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1C[C@H]1c1cccc(Cl)c1 ZINC001245992198 1039178136 /nfs/dbraw/zinc/17/81/36/1039178136.db2.gz FXRWHAIRJZWPAR-CADBVGFASA-N 1 3 366.839 2.995 20 0 FFADHO Cc1cccc(Cl)c1C(=[NH2+])NC[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246015566 1039191476 /nfs/dbraw/zinc/19/14/76/1039191476.db2.gz PJANTNGBAPXHES-JKSUJKDBSA-N 1 3 367.827 2.772 20 0 FFADHO CCOC(=O)CCC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001258122805 1039198177 /nfs/dbraw/zinc/19/81/77/1039198177.db2.gz YACVCLNTFGMAFQ-SLYNCCJLSA-N 1 3 366.546 2.789 20 0 FFADHO CCOC(=O)CCC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001258122805 1039198184 /nfs/dbraw/zinc/19/81/84/1039198184.db2.gz YACVCLNTFGMAFQ-SLYNCCJLSA-N 1 3 366.546 2.789 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001246035245 1039209879 /nfs/dbraw/zinc/20/98/79/1039209879.db2.gz OJDMMKCTKCCMKJ-QFBILLFUSA-N 1 3 362.514 2.563 20 0 FFADHO O[C@]1(CNC2CC[NH+](CCc3ccccc3)CC2)CCOc2ccccc21 ZINC001258136030 1039212616 /nfs/dbraw/zinc/21/26/16/1039212616.db2.gz YBTRIVGHZYUMCF-QHCPKHFHSA-N 1 3 366.505 2.953 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001246047078 1039215108 /nfs/dbraw/zinc/21/51/08/1039215108.db2.gz STNSMDAPIIMDBM-RYGJVYDSSA-N 1 3 364.411 2.824 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001246047078 1039215126 /nfs/dbraw/zinc/21/51/26/1039215126.db2.gz STNSMDAPIIMDBM-RYGJVYDSSA-N 1 3 364.411 2.824 20 0 FFADHO CSc1ccc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)s1 ZINC001279077764 1039215482 /nfs/dbraw/zinc/21/54/82/1039215482.db2.gz WEUZBDUZTBSMOV-GASCZTMLSA-N 1 3 367.584 2.702 20 0 FFADHO CSc1ccc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)s1 ZINC001279077764 1039215489 /nfs/dbraw/zinc/21/54/89/1039215489.db2.gz WEUZBDUZTBSMOV-GASCZTMLSA-N 1 3 367.584 2.702 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(COc2ccc(F)cc2)CC1 ZINC001246049508 1039221224 /nfs/dbraw/zinc/22/12/24/1039221224.db2.gz RLLXMIIWCGPYMD-FCHUYYIVSA-N 1 3 372.484 2.847 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCC(COc2ccc(F)cc2)CC1 ZINC001246049508 1039221242 /nfs/dbraw/zinc/22/12/42/1039221242.db2.gz RLLXMIIWCGPYMD-FCHUYYIVSA-N 1 3 372.484 2.847 20 0 FFADHO COc1ccc(CC2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246379333 1039327786 /nfs/dbraw/zinc/32/77/86/1039327786.db2.gz XOKWBGOMECXUAG-RDJZCZTQSA-N 1 3 371.447 2.632 20 0 FFADHO COc1ccccc1CC1([NH2+][C@H]2CCN[C@@H](C(F)(F)F)C2)CCNCC1 ZINC001246426483 1039350040 /nfs/dbraw/zinc/35/00/40/1039350040.db2.gz QLTIKBWKKDSKGM-DOTOQJQBSA-N 1 3 371.447 2.632 20 0 FFADHO COc1ccccc1CC1(N[C@H]2CCN[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246426483 1039350056 /nfs/dbraw/zinc/35/00/56/1039350056.db2.gz QLTIKBWKKDSKGM-DOTOQJQBSA-N 1 3 371.447 2.632 20 0 FFADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246495002 1039370339 /nfs/dbraw/zinc/37/03/39/1039370339.db2.gz NGKWGWPOXPBMFO-SFHVURJKSA-N 1 3 355.482 2.778 20 0 FFADHO Brc1ccc2c(c1)C[C@H](CNC1C[C@H]3CC[C@@H](C1)[NH2+]3)CO2 ZINC001246506686 1039375626 /nfs/dbraw/zinc/37/56/26/1039375626.db2.gz INZQFTPKWHXEEE-YGOACVGDSA-N 1 3 351.288 2.873 20 0 FFADHO NC[C@]1(O)CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001246555029 1039395740 /nfs/dbraw/zinc/39/57/40/1039395740.db2.gz AQDBPWKABKRVEJ-CIAFKFPVSA-N 1 3 357.542 2.748 20 0 FFADHO NC[C@]1(O)CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001246555029 1039395747 /nfs/dbraw/zinc/39/57/47/1039395747.db2.gz AQDBPWKABKRVEJ-CIAFKFPVSA-N 1 3 357.542 2.748 20 0 FFADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C1CCC(F)(F)CC1)C2 ZINC001246656171 1039428904 /nfs/dbraw/zinc/42/89/04/1039428904.db2.gz CAKYFJTWXHTYOF-KBPBESRZSA-N 1 3 370.362 2.581 20 0 FFADHO CC(C)C[C@H](C)C[C@@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246668224 1039432458 /nfs/dbraw/zinc/43/24/58/1039432458.db2.gz MMFKGSRNJOJHPI-ZWKOTPCHSA-N 1 3 350.551 2.921 20 0 FFADHO CC1(C)CC[C@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001258593034 1039446544 /nfs/dbraw/zinc/44/65/44/1039446544.db2.gz KDOZZPNPUDIGJF-OALUTQOASA-N 1 3 357.542 2.970 20 0 FFADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCN1 ZINC001246745320 1039460880 /nfs/dbraw/zinc/46/08/80/1039460880.db2.gz GVPRGIOFQVFQEI-BNDYYXHWSA-N 1 3 359.514 2.720 20 0 FFADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCN1 ZINC001246745320 1039460884 /nfs/dbraw/zinc/46/08/84/1039460884.db2.gz GVPRGIOFQVFQEI-BNDYYXHWSA-N 1 3 359.514 2.720 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CC[NH+]([C@H]3CCN[C@@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756548 1039467935 /nfs/dbraw/zinc/46/79/35/1039467935.db2.gz LNLZYSJZDPCQIK-ABSDTBQOSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756548 1039467941 /nfs/dbraw/zinc/46/79/41/1039467941.db2.gz LNLZYSJZDPCQIK-ABSDTBQOSA-N 1 3 370.541 2.843 20 0 FFADHO Fc1cccc(N2CCOC[C@@]3(CCCN([C@H]4CCC[NH2+]CC4)C3)C2)c1 ZINC001246755723 1039468054 /nfs/dbraw/zinc/46/80/54/1039468054.db2.gz LWQUMTFKDDXVML-PZJWPPBQSA-N 1 3 361.505 2.887 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CCN1 ZINC001246760300 1039470439 /nfs/dbraw/zinc/47/04/39/1039470439.db2.gz VKLZKCWXGWHSRO-YPEANGHVSA-N 1 3 361.555 2.505 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CCN1 ZINC001246760300 1039470443 /nfs/dbraw/zinc/47/04/43/1039470443.db2.gz VKLZKCWXGWHSRO-YPEANGHVSA-N 1 3 361.555 2.505 20 0 FFADHO CNC(=O)C[C@H]1CC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c2ccccc21 ZINC001246766809 1039471234 /nfs/dbraw/zinc/47/12/34/1039471234.db2.gz PSXIWXACTLBVFF-HTUJPFKRSA-N 1 3 367.537 2.927 20 0 FFADHO CC(C)[C@H]1C[C@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246769592 1039473805 /nfs/dbraw/zinc/47/38/05/1039473805.db2.gz JOWDIAKUCHMYEE-RTBURBONSA-N 1 3 359.562 2.898 20 0 FFADHO Brc1cccc([C@H]2CN([C@H]3CCC4(C[NH2+]C4)C3)CCN2)c1 ZINC001246803353 1039486793 /nfs/dbraw/zinc/48/67/93/1039486793.db2.gz BXRANYGANKKAPK-JKSUJKDBSA-N 1 3 350.304 2.538 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+]([C@H](C)Cc3ccccc3Cl)C[C@H]1CNCC2 ZINC001246855799 1039505871 /nfs/dbraw/zinc/50/58/71/1039505871.db2.gz QDOCJNSITAIDJW-IDHHARJASA-N 1 3 350.890 2.746 20 0 FFADHO CCOC(=O)[C@]12C[N@H+]([C@H](C)Cc3ccccc3Cl)C[C@H]1CNCC2 ZINC001246855799 1039505882 /nfs/dbraw/zinc/50/58/82/1039505882.db2.gz QDOCJNSITAIDJW-IDHHARJASA-N 1 3 350.890 2.746 20 0 FFADHO CCCN1CCC([NH2+]Cc2cccc(N3CCCCS3(=O)=O)c2)CC1 ZINC001258770315 1039507269 /nfs/dbraw/zinc/50/72/69/1039507269.db2.gz JFLRIJMQNATPDM-UHFFFAOYSA-N 1 3 365.543 2.581 20 0 FFADHO COc1ccccc1C[C@H](C)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258882091 1039559733 /nfs/dbraw/zinc/55/97/33/1039559733.db2.gz LMPYWUVFOWQIPV-YOEHRIQHSA-N 1 3 351.491 2.806 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(OC)cc2)CC1 ZINC001252720746 1039663563 /nfs/dbraw/zinc/66/35/63/1039663563.db2.gz IBWMLBGZLQLIDM-SFHVURJKSA-N 1 3 350.503 2.631 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(OC)cc2)CC1 ZINC001252720746 1039663567 /nfs/dbraw/zinc/66/35/67/1039663567.db2.gz IBWMLBGZLQLIDM-SFHVURJKSA-N 1 3 350.503 2.631 20 0 FFADHO OC[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC001252952298 1039864763 /nfs/dbraw/zinc/86/47/63/1039864763.db2.gz ZUDIZFGKHPIYGT-PZJWPPBQSA-N 1 3 374.912 2.643 20 0 FFADHO OC[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC001252952298 1039864782 /nfs/dbraw/zinc/86/47/82/1039864782.db2.gz ZUDIZFGKHPIYGT-PZJWPPBQSA-N 1 3 374.912 2.643 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@](C)(O)c3ccccc3)cc2)CC1 ZINC001253116207 1039988124 /nfs/dbraw/zinc/98/81/24/1039988124.db2.gz FNTHSWLSUJECTE-QHCPKHFHSA-N 1 3 367.537 2.821 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001253411110 1040158663 /nfs/dbraw/zinc/15/86/63/1040158663.db2.gz BSXZFTWJWNJPCZ-BBWFWOEESA-N 1 3 371.566 2.656 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322799 1040450878 /nfs/dbraw/zinc/45/08/78/1040450878.db2.gz RNQMBGVWVTWFGV-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322799 1040450887 /nfs/dbraw/zinc/45/08/87/1040450887.db2.gz RNQMBGVWVTWFGV-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO OC1(C[NH2+]Cc2cccc3nccnc23)CCN(Cc2ccccc2)CC1 ZINC001254054549 1040555982 /nfs/dbraw/zinc/55/59/82/1040555982.db2.gz FDAOVBYMUNZCEH-UHFFFAOYSA-N 1 3 362.477 2.747 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2cccc(C)c2)C[C@H]1OC ZINC001213765136 1040885163 /nfs/dbraw/zinc/88/51/63/1040885163.db2.gz VSRLINAMCXYOEH-MISYRCLQSA-N 1 3 361.530 2.603 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2cccc(C)c2)C[C@H]1OC ZINC001213765136 1040885172 /nfs/dbraw/zinc/88/51/72/1040885172.db2.gz VSRLINAMCXYOEH-MISYRCLQSA-N 1 3 361.530 2.603 20 0 FFADHO CO[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCC1 ZINC001213934472 1041087282 /nfs/dbraw/zinc/08/72/82/1041087282.db2.gz UWRMGZXGFDEUGO-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCC1 ZINC001213934472 1041087293 /nfs/dbraw/zinc/08/72/93/1041087293.db2.gz UWRMGZXGFDEUGO-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)(O)CCN1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255410454 1041329475 /nfs/dbraw/zinc/32/94/75/1041329475.db2.gz XIJABKOMRQGLPF-NRFANRHFSA-N 1 3 359.558 2.820 20 0 FFADHO CC(C)(O)CCN1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255410454 1041329480 /nfs/dbraw/zinc/32/94/80/1041329480.db2.gz XIJABKOMRQGLPF-NRFANRHFSA-N 1 3 359.558 2.820 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001214611207 1041503667 /nfs/dbraw/zinc/50/36/67/1041503667.db2.gz UGUCFFVFBGIYPD-MISYRCLQSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C)C1CCC1 ZINC001214634422 1041513380 /nfs/dbraw/zinc/51/33/80/1041513380.db2.gz NGSUVODQMLQCIF-QRQLOZEOSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001214754982 1041563915 /nfs/dbraw/zinc/56/39/15/1041563915.db2.gz NBTCZRRTBOHIHG-FHLIZLRMSA-N 1 3 369.912 2.956 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC/C=C\c1ccccc1 ZINC001214855766 1041595334 /nfs/dbraw/zinc/59/53/34/1041595334.db2.gz NLRGIXPWDZKHBQ-HUOCCZKXSA-N 1 3 355.526 2.867 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@H]2C)cc1 ZINC001214996917 1041638633 /nfs/dbraw/zinc/63/86/33/1041638633.db2.gz FJUWJLLHMXLSQU-YLJYHZDGSA-N 1 3 359.558 2.958 20 0 FFADHO C/C=C/c1ccc(OC[C@@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c(OC)c1 ZINC001262575835 1041732359 /nfs/dbraw/zinc/73/23/59/1041732359.db2.gz ADHXJOBDJHNEKT-WPCOXRSNSA-N 1 3 360.498 2.684 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1)[NH+](CC)CC ZINC001215516658 1041811832 /nfs/dbraw/zinc/81/18/32/1041811832.db2.gz PUKAGHJDRWKXCQ-MGPQQGTHSA-N 1 3 350.334 2.862 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C1CCCC1 ZINC001215567918 1041829766 /nfs/dbraw/zinc/82/97/66/1041829766.db2.gz GPIZHQZGABPGRD-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC001216499504 1042042713 /nfs/dbraw/zinc/04/27/13/1042042713.db2.gz MBGBZLLJPAKBGA-OXQOHEQNSA-N 1 3 354.498 2.513 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001216851998 1042144613 /nfs/dbraw/zinc/14/46/13/1042144613.db2.gz MUQQEHVGEIGOKO-IEBWSBKVSA-N 1 3 353.551 2.503 20 0 FFADHO COc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380282284 1042324560 /nfs/dbraw/zinc/32/45/60/1042324560.db2.gz PTFVXCOANMIJCR-WOJBJXKFSA-N 1 3 370.493 2.547 20 0 FFADHO COc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380282284 1042324566 /nfs/dbraw/zinc/32/45/66/1042324566.db2.gz PTFVXCOANMIJCR-WOJBJXKFSA-N 1 3 370.493 2.547 20 0 FFADHO Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)sc1C ZINC001264466128 1042682820 /nfs/dbraw/zinc/68/28/20/1042682820.db2.gz RGEKCEIOZUEKGR-JKSUJKDBSA-N 1 3 364.559 2.619 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001264480679 1042690666 /nfs/dbraw/zinc/69/06/66/1042690666.db2.gz GGIXEMJMGZMUJC-IPMKNSEASA-N 1 3 353.551 2.549 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001264480680 1042690696 /nfs/dbraw/zinc/69/06/96/1042690696.db2.gz GGIXEMJMGZMUJC-OTWHNJEPSA-N 1 3 353.551 2.549 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001264492080 1042695794 /nfs/dbraw/zinc/69/57/94/1042695794.db2.gz CUMGLYXHLAZLQG-RRFJBIMHSA-N 1 3 364.361 2.785 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1)N(C)C ZINC001265503382 1042864303 /nfs/dbraw/zinc/86/43/03/1042864303.db2.gz SBHQILPOYNNHPI-ATIWLJMLSA-N 1 3 365.468 2.612 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1O ZINC001279141245 1042916018 /nfs/dbraw/zinc/91/60/18/1042916018.db2.gz QIMZROYXFQNYOR-UHFFFAOYSA-N 1 3 356.470 2.612 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1O ZINC001279141245 1042916019 /nfs/dbraw/zinc/91/60/19/1042916019.db2.gz QIMZROYXFQNYOR-UHFFFAOYSA-N 1 3 356.470 2.612 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1c[nH]c3cccc(O)c13)C2 ZINC001279241080 1042962300 /nfs/dbraw/zinc/96/23/00/1042962300.db2.gz AHWXVBUFVXKDEK-OAQYLSRUSA-N 1 3 356.514 2.723 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1c[nH]c3cccc(O)c13)C2 ZINC001279241080 1042962305 /nfs/dbraw/zinc/96/23/05/1042962305.db2.gz AHWXVBUFVXKDEK-OAQYLSRUSA-N 1 3 356.514 2.723 20 0 FFADHO CCc1cccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)n1 ZINC001279349501 1043020002 /nfs/dbraw/zinc/02/00/02/1043020002.db2.gz VMGACFPQHCJMQQ-UHFFFAOYSA-N 1 3 353.514 2.829 20 0 FFADHO CCc1cccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)n1 ZINC001279349501 1043020005 /nfs/dbraw/zinc/02/00/05/1043020005.db2.gz VMGACFPQHCJMQQ-UHFFFAOYSA-N 1 3 353.514 2.829 20 0 FFADHO CCCCc1ncc(C[N@H+]2C[C@@H]3CCN(COCCOC)CC[C@@H]3C2)[nH]1 ZINC001279361275 1043026834 /nfs/dbraw/zinc/02/68/34/1043026834.db2.gz OZJMAMGJTAUJIP-HDICACEKSA-N 1 3 364.534 2.517 20 0 FFADHO CCCCc1ncc(C[N@@H+]2C[C@@H]3CCN(COCCOC)CC[C@@H]3C2)[nH]1 ZINC001279361275 1043026838 /nfs/dbraw/zinc/02/68/38/1043026838.db2.gz OZJMAMGJTAUJIP-HDICACEKSA-N 1 3 364.534 2.517 20 0 FFADHO CCCCc1nc(C[N@H+]2C[C@@H]3CCN(COCCOC)CC[C@@H]3C2)c[nH]1 ZINC001279361275 1043026843 /nfs/dbraw/zinc/02/68/43/1043026843.db2.gz OZJMAMGJTAUJIP-HDICACEKSA-N 1 3 364.534 2.517 20 0 FFADHO CCCCc1nc(C[N@@H+]2C[C@@H]3CCN(COCCOC)CC[C@@H]3C2)c[nH]1 ZINC001279361275 1043026847 /nfs/dbraw/zinc/02/68/47/1043026847.db2.gz OZJMAMGJTAUJIP-HDICACEKSA-N 1 3 364.534 2.517 20 0 FFADHO Cc1cccc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1Br ZINC001279361982 1043028416 /nfs/dbraw/zinc/02/84/16/1043028416.db2.gz DNIBZMYOHUWXDO-DOTOQJQBSA-N 1 3 366.347 2.825 20 0 FFADHO CC(=O)Nc1ccccc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001237403615 1043143174 /nfs/dbraw/zinc/14/31/74/1043143174.db2.gz HLONEVFPZQPHIF-UHFFFAOYSA-N 1 3 359.514 2.969 20 0 FFADHO Cc1ccc([C@H](C)CC[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)o1 ZINC001279489179 1043174766 /nfs/dbraw/zinc/17/47/66/1043174766.db2.gz LPTDFHZUQHKLKD-QRQLOZEOSA-N 1 3 361.530 2.814 20 0 FFADHO Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)o1 ZINC001279489179 1043174770 /nfs/dbraw/zinc/17/47/70/1043174770.db2.gz LPTDFHZUQHKLKD-QRQLOZEOSA-N 1 3 361.530 2.814 20 0 FFADHO COC(=O)[C@H](C)C[NH+]1CCC2(CCCN(Cc3scnc3C)C2)CC1 ZINC001279517360 1043215365 /nfs/dbraw/zinc/21/53/65/1043215365.db2.gz JXHFLICGGXUHQH-OAHLLOKOSA-N 1 3 365.543 2.939 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c1 ZINC001279548482 1043243328 /nfs/dbraw/zinc/24/33/28/1043243328.db2.gz GISXKFXEEQYUBV-OYRHEFFESA-N 1 3 361.505 2.715 20 0 FFADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2CCc1cccc(Br)c1 ZINC001279624078 1043358745 /nfs/dbraw/zinc/35/87/45/1043358745.db2.gz LEQSKHLJTYZZES-ROUUACIJSA-N 1 3 366.347 2.702 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)c(N2CCCC2)c1 ZINC001279677880 1043452564 /nfs/dbraw/zinc/45/25/64/1043452564.db2.gz RXUGJIVCUYIPRS-PMACEKPBSA-N 1 3 360.521 2.636 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)c(N2CCCC2)c1 ZINC001279677880 1043452571 /nfs/dbraw/zinc/45/25/71/1043452571.db2.gz RXUGJIVCUYIPRS-PMACEKPBSA-N 1 3 360.521 2.636 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cc(F)cc(N4CCCC4)c3)CC2)CC1 ZINC001238716219 1043838845 /nfs/dbraw/zinc/83/88/45/1043838845.db2.gz YNQKDCXGRZHFEU-UHFFFAOYSA-N 1 3 374.548 2.885 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)N(C)C)cc1 ZINC001311570134 1043939593 /nfs/dbraw/zinc/93/95/93/1043939593.db2.gz DYABIEJFTXSDDW-UXHICEINSA-N 1 3 360.546 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)N(C)C)cc1 ZINC001311570134 1043939603 /nfs/dbraw/zinc/93/96/03/1043939603.db2.gz DYABIEJFTXSDDW-UXHICEINSA-N 1 3 360.546 2.977 20 0 FFADHO Cc1ccccc1C1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC001311829584 1043986314 /nfs/dbraw/zinc/98/63/14/1043986314.db2.gz MIFIGILXULQHFX-SFHVURJKSA-N 1 3 360.546 2.598 20 0 FFADHO Cc1ccccc1C1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC001311829584 1043986319 /nfs/dbraw/zinc/98/63/19/1043986319.db2.gz MIFIGILXULQHFX-SFHVURJKSA-N 1 3 360.546 2.598 20 0 FFADHO CN(CCC[NH3+])CCCNC(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001239230594 1044079077 /nfs/dbraw/zinc/07/90/77/1044079077.db2.gz AWCVRQPQMCHZLC-UHFFFAOYSA-N 1 3 350.360 2.637 20 0 FFADHO NCCC[NH2+]CCCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC001239252899 1044085648 /nfs/dbraw/zinc/08/56/48/1044085648.db2.gz KBWRMBJAVUIBTO-UHFFFAOYSA-N 1 3 352.788 2.809 20 0 FFADHO CN(C)CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001239307537 1044096988 /nfs/dbraw/zinc/09/69/88/1044096988.db2.gz FAAKZIWPAYXJRM-MRXNPFEDSA-N 1 3 372.435 2.531 20 0 FFADHO CC/C=C\CCN1CCc2nc(C(=O)NC3CC[NH+](C)CC3)ccc2C1 ZINC001280028939 1044105523 /nfs/dbraw/zinc/10/55/23/1044105523.db2.gz QUUMIVBNFXMUOX-PLNGDYQASA-N 1 3 356.514 2.620 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001312455121 1044118088 /nfs/dbraw/zinc/11/80/88/1044118088.db2.gz GXRAMTIEBLZNCX-CMKODMSKSA-N 1 3 360.546 2.927 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3sccc3OC)(C1)C2 ZINC001280109838 1044224195 /nfs/dbraw/zinc/22/41/95/1044224195.db2.gz VWKGMLFVCFUHTI-UHFFFAOYSA-N 1 3 365.543 2.569 20 0 FFADHO CN1CCN(Cc2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001240408336 1044333599 /nfs/dbraw/zinc/33/35/99/1044333599.db2.gz JPTNIVFVXJSIKU-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]CCN4CCCCC4)(C2)CCC3)n(C)n1 ZINC001280262533 1044495632 /nfs/dbraw/zinc/49/56/32/1044495632.db2.gz NBJWUWBDUQKFJL-RTWAWAEBSA-N 1 3 359.562 2.739 20 0 FFADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)c1ccccc1OCC(=O)N(C)C ZINC001319198399 1045063686 /nfs/dbraw/zinc/06/36/86/1045063686.db2.gz CUAAPGREWBWZGZ-MJGOQNOKSA-N 1 3 361.530 2.926 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCc2cc(C)ns2)C2CC2)CC[N@@H+]1C ZINC001283502543 1046392462 /nfs/dbraw/zinc/39/24/62/1046392462.db2.gz LOUZBTOJHDMHPG-RCCFBDPRSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCc2cc(C)ns2)C2CC2)CC[N@H+]1C ZINC001283502543 1046392474 /nfs/dbraw/zinc/39/24/74/1046392474.db2.gz LOUZBTOJHDMHPG-RCCFBDPRSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325355357 1046481548 /nfs/dbraw/zinc/48/15/48/1046481548.db2.gz WLDGXYUVVVMDPO-UYAOXDASSA-N 1 3 370.541 2.997 20 0 FFADHO NC1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC2(CCC2)C1 ZINC001331428274 1047929279 /nfs/dbraw/zinc/92/92/79/1047929279.db2.gz ZZBOGSVUQSRUBQ-GOSISDBHSA-N 1 3 354.498 2.571 20 0 FFADHO NC1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC2(CCC2)C1 ZINC001331428274 1047929288 /nfs/dbraw/zinc/92/92/88/1047929288.db2.gz ZZBOGSVUQSRUBQ-GOSISDBHSA-N 1 3 354.498 2.571 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)C1 ZINC001333681752 1049052182 /nfs/dbraw/zinc/05/21/82/1049052182.db2.gz YENQOMOCMYDMFL-RDGPPVDQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)C1 ZINC001333681752 1049052195 /nfs/dbraw/zinc/05/21/95/1049052195.db2.gz YENQOMOCMYDMFL-RDGPPVDQSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@@H+]1CCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001296066120 1050018554 /nfs/dbraw/zinc/01/85/54/1050018554.db2.gz AAFKKOURQMSOGG-SFHVURJKSA-N 1 3 374.577 2.950 20 0 FFADHO CC[N@H+]1CCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001296066120 1050018557 /nfs/dbraw/zinc/01/85/57/1050018557.db2.gz AAFKKOURQMSOGG-SFHVURJKSA-N 1 3 374.577 2.950 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001296084398 1050020292 /nfs/dbraw/zinc/02/02/92/1050020292.db2.gz MSNWKCWIWDHVJP-GOSISDBHSA-N 1 3 374.577 2.950 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001296084398 1050020295 /nfs/dbraw/zinc/02/02/95/1050020295.db2.gz MSNWKCWIWDHVJP-GOSISDBHSA-N 1 3 374.577 2.950 20 0 FFADHO CCCN(C(=O)CO[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC001341522814 1050153754 /nfs/dbraw/zinc/15/37/54/1050153754.db2.gz WLXRBSWYSKJKHG-NRFANRHFSA-N 1 3 373.541 2.658 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)C3CCCCCC3)nc2)CC1 ZINC001341634164 1050258887 /nfs/dbraw/zinc/25/88/87/1050258887.db2.gz LTESHYHWEVNGCO-FQEVSTJZSA-N 1 3 373.545 2.848 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)c2)CC1 ZINC001341803522 1050416437 /nfs/dbraw/zinc/41/64/37/1050416437.db2.gz XOPLUPGSLVPIQJ-PWRODBHTSA-N 1 3 357.542 2.727 20 0 FFADHO CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001302697267 1051173986 /nfs/dbraw/zinc/17/39/86/1051173986.db2.gz ATFUKEGYNNIHFO-QGZVFWFLSA-N 1 3 364.582 2.910 20 0 FFADHO CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001302697266 1051174190 /nfs/dbraw/zinc/17/41/90/1051174190.db2.gz ATFUKEGYNNIHFO-KRWDZBQOSA-N 1 3 364.582 2.910 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001342640548 1051246104 /nfs/dbraw/zinc/24/61/04/1051246104.db2.gz VWMAOWCYFLMWEX-LMCOJAPRSA-N 1 3 358.530 2.679 20 0 FFADHO CCC[N@@H+]1CC[C@@H](Cn2c(C3CC3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001307044361 1052244256 /nfs/dbraw/zinc/24/42/56/1052244256.db2.gz ZABOFWUSAGUGDI-QGZVFWFLSA-N 1 3 374.577 2.808 20 0 FFADHO CCC[N@H+]1CC[C@@H](Cn2c(C3CC3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001307044361 1052244260 /nfs/dbraw/zinc/24/42/60/1052244260.db2.gz ZABOFWUSAGUGDI-QGZVFWFLSA-N 1 3 374.577 2.808 20 0 FFADHO COC/C(C)=C/C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001307503730 1052314587 /nfs/dbraw/zinc/31/45/87/1052314587.db2.gz KPVMJWSYHILKMD-DJKKODMXSA-N 1 3 373.541 2.539 20 0 FFADHO Cc1cc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc2cccnc12 ZINC001308359613 1052450701 /nfs/dbraw/zinc/45/07/01/1052450701.db2.gz GGNNQVNGPNDYBX-IBGZPJMESA-N 1 3 356.514 2.725 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC001335350849 1053311153 /nfs/dbraw/zinc/31/11/53/1053311153.db2.gz KIFDVNFWESFVBD-QWQRMKEZSA-N 1 3 358.885 2.992 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C2 ZINC001335447689 1053368799 /nfs/dbraw/zinc/36/87/99/1053368799.db2.gz IKURHAGUNJHLDK-LEAZDLGRSA-N 1 3 356.514 2.735 20 0 FFADHO C[C@H](OC[C@@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccc(Cl)cc1 ZINC001336052205 1053734099 /nfs/dbraw/zinc/73/40/99/1053734099.db2.gz XPCLJTDKPYXPFQ-FZDIXFNVSA-N 1 3 352.906 2.995 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001337177239 1054534849 /nfs/dbraw/zinc/53/48/49/1054534849.db2.gz NZNODXJDGQHBJV-HXUWFJFHSA-N 1 3 359.514 2.702 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001337177239 1054534859 /nfs/dbraw/zinc/53/48/59/1054534859.db2.gz NZNODXJDGQHBJV-HXUWFJFHSA-N 1 3 359.514 2.702 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCCN1C ZINC001348129515 1054676866 /nfs/dbraw/zinc/67/68/66/1054676866.db2.gz WMLAESQIYPKEID-VQTJNVASSA-N 1 3 373.545 2.562 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCCN1C ZINC001348129515 1054676871 /nfs/dbraw/zinc/67/68/71/1054676871.db2.gz WMLAESQIYPKEID-VQTJNVASSA-N 1 3 373.545 2.562 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCN(Cc4ccccc4F)C3=O)C[C@@H]2C1 ZINC001356058009 1055251084 /nfs/dbraw/zinc/25/10/84/1055251084.db2.gz WFMAAMDPWKYWIK-NZSAHSFTSA-N 1 3 374.504 2.683 20 0 FFADHO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001200046931 1055508309 /nfs/dbraw/zinc/50/83/09/1055508309.db2.gz YBSTYENBKGVFFY-UHFFFAOYSA-N 1 3 366.509 2.682 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@@H](O)CC1(O)CCCC1)c1ccccc1O2 ZINC001338448842 1055525094 /nfs/dbraw/zinc/52/50/94/1055525094.db2.gz IQQFSQJWYDMYBM-PKOBYXMFSA-N 1 3 374.525 2.620 20 0 FFADHO [NH2+]=C(NCCOc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849061499 1055614884 /nfs/dbraw/zinc/61/48/84/1055614884.db2.gz HDCDNBTVJKUCTP-UHFFFAOYSA-N 1 3 370.472 2.983 20 0 FFADHO [NH2+]=C(NC[C@@H](O)C1CCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849070023 1055628687 /nfs/dbraw/zinc/62/86/87/1055628687.db2.gz CNKOOTINOKQTFK-HXUWFJFHSA-N 1 3 358.530 2.706 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001350842722 1055964478 /nfs/dbraw/zinc/96/44/78/1055964478.db2.gz PWBISAYTYVCSBC-IPMKNSEASA-N 1 3 374.577 2.715 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001350842722 1055964488 /nfs/dbraw/zinc/96/44/88/1055964488.db2.gz PWBISAYTYVCSBC-IPMKNSEASA-N 1 3 374.577 2.715 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001358069391 1056128810 /nfs/dbraw/zinc/12/88/10/1056128810.db2.gz SPKCRHBPGZZBOJ-NUJGCVRESA-N 1 3 357.498 2.621 20 0 FFADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC001200267579 1056191503 /nfs/dbraw/zinc/19/15/03/1056191503.db2.gz IBIFBQLZCVOQFT-AWEZNQCLSA-N 1 3 357.470 2.678 20 0 FFADHO C[C@@H](CNC(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1)[N@H+](C)Cc1ccccc1 ZINC001353547839 1056522760 /nfs/dbraw/zinc/52/27/60/1056522760.db2.gz CBMJNORUICINKR-JXFKEZNVSA-N 1 3 364.493 2.674 20 0 FFADHO C[C@@H](CNC(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1)[N@@H+](C)Cc1ccccc1 ZINC001353547839 1056522772 /nfs/dbraw/zinc/52/27/72/1056522772.db2.gz CBMJNORUICINKR-JXFKEZNVSA-N 1 3 364.493 2.674 20 0 FFADHO CC(C)(C)[C@@H]([NH3+])CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001353557636 1056531933 /nfs/dbraw/zinc/53/19/33/1056531933.db2.gz BRYUDNMIUDJPKP-SFHVURJKSA-N 1 3 365.493 2.549 20 0 FFADHO [NH2+]=C(NCc1ccc([O-])c(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849098239 1056759756 /nfs/dbraw/zinc/75/97/56/1056759756.db2.gz HULRUUIFZXHXGL-UHFFFAOYSA-N 1 3 356.445 2.810 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001513031328 1058172487 /nfs/dbraw/zinc/17/24/87/1058172487.db2.gz GPOJHQNHGMUFBB-IAGOWNOFSA-N 1 3 362.566 2.806 20 0 FFADHO CC(C)(C)C[NH+]1CCC(CNC(=S)NCCN2CCCCC2)CC1 ZINC001200446508 1058213129 /nfs/dbraw/zinc/21/31/29/1058213129.db2.gz OGAYBFVEYBRJOP-UHFFFAOYSA-N 1 3 354.608 2.695 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001499134303 1058247237 /nfs/dbraw/zinc/24/72/37/1058247237.db2.gz CGZOMGXTFRCUTE-KRWDZBQOSA-N 1 3 362.566 2.635 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001499134303 1058247257 /nfs/dbraw/zinc/24/72/57/1058247257.db2.gz CGZOMGXTFRCUTE-KRWDZBQOSA-N 1 3 362.566 2.635 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC001502290394 1058809521 /nfs/dbraw/zinc/80/95/21/1058809521.db2.gz HGXMMOHTSYTHCQ-GOSISDBHSA-N 1 3 374.577 2.592 20 0 FFADHO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC001502290394 1058809535 /nfs/dbraw/zinc/80/95/35/1058809535.db2.gz HGXMMOHTSYTHCQ-GOSISDBHSA-N 1 3 374.577 2.592 20 0 FFADHO CC[NH+](CC)[C@@H](C)Cn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001547428925 1071956241 /nfs/dbraw/zinc/95/62/41/1071956241.db2.gz ISPASOBDHKVSNG-KRWDZBQOSA-N 1 3 374.577 2.950 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001547645033 1071981966 /nfs/dbraw/zinc/98/19/66/1071981966.db2.gz DZUXUILSFDMQHY-ZWKOTPCHSA-N 1 3 364.582 2.736 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001547645033 1071981971 /nfs/dbraw/zinc/98/19/71/1071981971.db2.gz DZUXUILSFDMQHY-ZWKOTPCHSA-N 1 3 364.582 2.736 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001461323634 1061288816 /nfs/dbraw/zinc/28/88/16/1061288816.db2.gz GFYGDHFDNYVLKN-LRDDRELGSA-N 1 3 367.440 2.642 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@]12CCN(C1)CCC2 ZINC001462278713 1061567398 /nfs/dbraw/zinc/56/73/98/1061567398.db2.gz HRRAILPTRXUPGL-SJBKTWHCSA-N 1 3 355.526 2.889 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@]12CCN(C1)CCC2 ZINC001462278713 1061567417 /nfs/dbraw/zinc/56/74/17/1061567417.db2.gz HRRAILPTRXUPGL-SJBKTWHCSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCN1C ZINC001477236514 1061640596 /nfs/dbraw/zinc/64/05/96/1061640596.db2.gz VYQRQYGASNPDAQ-PXNSSMCTSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)[C@@H](CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001477288431 1061653405 /nfs/dbraw/zinc/65/34/05/1061653405.db2.gz RSMTVLXEIZKOQH-AZUAARDMSA-N 1 3 364.578 2.869 20 0 FFADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001477472527 1061713450 /nfs/dbraw/zinc/71/34/50/1061713450.db2.gz BNWWBBPMFZYFAB-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001477472527 1061713468 /nfs/dbraw/zinc/71/34/68/1061713468.db2.gz BNWWBBPMFZYFAB-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001477472526 1061713671 /nfs/dbraw/zinc/71/36/71/1061713671.db2.gz BNWWBBPMFZYFAB-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001477472526 1061713684 /nfs/dbraw/zinc/71/36/84/1061713684.db2.gz BNWWBBPMFZYFAB-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001478651500 1062076227 /nfs/dbraw/zinc/07/62/27/1062076227.db2.gz TWENPRGGTBCHEV-SWLSCSKDSA-N 1 3 360.424 2.557 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001478956972 1062160756 /nfs/dbraw/zinc/16/07/56/1062160756.db2.gz KAJRRUYUFVLWAC-KFKAGJAMSA-N 1 3 364.509 2.583 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001478956972 1062160773 /nfs/dbraw/zinc/16/07/73/1062160773.db2.gz KAJRRUYUFVLWAC-KFKAGJAMSA-N 1 3 364.509 2.583 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001479489612 1062473931 /nfs/dbraw/zinc/47/39/31/1062473931.db2.gz OWHHYQKQELWLJV-LESCRADOSA-N 1 3 366.937 2.696 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC001479565904 1062551157 /nfs/dbraw/zinc/55/11/57/1062551157.db2.gz XBSDTYDIGDXILW-XLIONFOSSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCOCCN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001479636482 1062674291 /nfs/dbraw/zinc/67/42/91/1062674291.db2.gz AUQCWGYYYCJOLL-RBUKOAKNSA-N 1 3 365.562 2.648 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001441316464 1063419760 /nfs/dbraw/zinc/41/97/60/1063419760.db2.gz YKQYPRPNLURTAV-IAGOWNOFSA-N 1 3 353.576 2.585 20 0 FFADHO CC[C@H](C)[N@H+](C)CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001496161377 1063594316 /nfs/dbraw/zinc/59/43/16/1063594316.db2.gz ZUTBDLXKDYEDEQ-ULQDDVLXSA-N 1 3 362.566 2.805 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001496161377 1063594328 /nfs/dbraw/zinc/59/43/28/1063594328.db2.gz ZUTBDLXKDYEDEQ-ULQDDVLXSA-N 1 3 362.566 2.805 20 0 FFADHO CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001468005142 1063905140 /nfs/dbraw/zinc/90/51/40/1063905140.db2.gz KVMOIHYDMOBWPH-IBGZPJMESA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H](NC[C@@H]([NH3+])CC(F)(F)F)C1CCCC1 ZINC001575216962 1078118499 /nfs/dbraw/zinc/11/84/99/1078118499.db2.gz VUTYLFJRINBCDG-STQMWFEESA-N 1 3 353.429 2.939 20 0 FFADHO CC(C)c1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001575883854 1078173138 /nfs/dbraw/zinc/17/31/38/1078173138.db2.gz CTBSIGUVBYXOLJ-AEFFLSMTSA-N 1 3 356.518 2.503 20 0 FFADHO C[C@@](CO)(Cc1ccc(Br)cc1)NC[C@@H]1CCCC[NH2+]C1 ZINC001576037500 1078189265 /nfs/dbraw/zinc/18/92/65/1078189265.db2.gz QLTLKABPKXLWBP-WBVHZDCISA-N 1 3 355.320 2.722 20 0 FFADHO O=C1OCC[C@@]12CC[N@H+](CCCN1CCC(Cc3ccccc3)CC1)C2 ZINC001473899311 1065411672 /nfs/dbraw/zinc/41/16/72/1065411672.db2.gz LDXHZRLXAUCYBC-JOCHJYFZSA-N 1 3 356.510 2.970 20 0 FFADHO O=C1OCC[C@@]12CC[N@@H+](CCCN1CCC(Cc3ccccc3)CC1)C2 ZINC001473899311 1065411677 /nfs/dbraw/zinc/41/16/77/1065411677.db2.gz LDXHZRLXAUCYBC-JOCHJYFZSA-N 1 3 356.510 2.970 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC001474067784 1065449869 /nfs/dbraw/zinc/44/98/69/1065449869.db2.gz GFIUJJIMIZVEPJ-YPAWHYETSA-N 1 3 374.525 2.712 20 0 FFADHO CN(C)[C@H](Cn1c(N2CC[C@@H]([NH3+])C2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001578407924 1078470452 /nfs/dbraw/zinc/47/04/52/1078470452.db2.gz FCUKNAKZOYIOOQ-IAGOWNOFSA-N 1 3 374.508 2.555 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC001579452332 1078630543 /nfs/dbraw/zinc/63/05/43/1078630543.db2.gz IAKLEERSGLQFDN-NVXWUHKLSA-N 1 3 366.937 2.659 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC001550422549 1074261647 /nfs/dbraw/zinc/26/16/47/1074261647.db2.gz YPIHCYNSMRNRKE-DWRORGKVSA-N 1 3 372.431 2.996 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC001550422549 1074261653 /nfs/dbraw/zinc/26/16/53/1074261653.db2.gz YPIHCYNSMRNRKE-DWRORGKVSA-N 1 3 372.431 2.996 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(OC)c3F)C2)[C@H]1C(C)C ZINC001550423772 1074262223 /nfs/dbraw/zinc/26/22/23/1074262223.db2.gz RNZSOLXAUMODEN-FEHORTKBSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(OC)c3F)C2)[C@H]1C(C)C ZINC001550423772 1074262229 /nfs/dbraw/zinc/26/22/29/1074262229.db2.gz RNZSOLXAUMODEN-FEHORTKBSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc(F)cc(OC)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424042 1074263685 /nfs/dbraw/zinc/26/36/85/1074263685.db2.gz XFVAOWNUCDCUEK-WCIQWLHISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc(F)cc(OC)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424042 1074263691 /nfs/dbraw/zinc/26/36/91/1074263691.db2.gz XFVAOWNUCDCUEK-WCIQWLHISA-N 1 3 350.478 2.794 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC001551237428 1074658354 /nfs/dbraw/zinc/65/83/54/1074658354.db2.gz IYMYALZQULOQMH-UHFFFAOYSA-N 1 3 358.530 2.805 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553448402 1075311182 /nfs/dbraw/zinc/31/11/82/1075311182.db2.gz MBHBRRCPHIGEQP-NJDAHSKKSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(Cl)cc(Cl)c1 ZINC001567016130 1076994389 /nfs/dbraw/zinc/99/43/89/1076994389.db2.gz DDZUDTUAUJKJQB-HWWQOWPSSA-N 1 3 358.313 2.928 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(Cl)cc(Cl)c1 ZINC001567016130 1076994394 /nfs/dbraw/zinc/99/43/94/1076994394.db2.gz DDZUDTUAUJKJQB-HWWQOWPSSA-N 1 3 358.313 2.928 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)CC[N@@H+]1C ZINC001567442551 1077027525 /nfs/dbraw/zinc/02/75/25/1077027525.db2.gz IVUKXUUBTXALDY-VQTJNVASSA-N 1 3 361.505 2.967 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)CC[N@H+]1C ZINC001567442551 1077027528 /nfs/dbraw/zinc/02/75/28/1077027528.db2.gz IVUKXUUBTXALDY-VQTJNVASSA-N 1 3 361.505 2.967 20 0 FFADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C ZINC001567511736 1077032945 /nfs/dbraw/zinc/03/29/45/1077032945.db2.gz GQTVSMCQEIOQRX-BZSNNMDCSA-N 1 3 367.484 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3ncccc3C)CCCC2)CC[N@@H+]1C ZINC001568000530 1077065170 /nfs/dbraw/zinc/06/51/70/1077065170.db2.gz WZNFPHDAFNZLKV-PKOBYXMFSA-N 1 3 358.530 2.639 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3ncccc3C)CCCC2)CC[N@H+]1C ZINC001568000530 1077065174 /nfs/dbraw/zinc/06/51/74/1077065174.db2.gz WZNFPHDAFNZLKV-PKOBYXMFSA-N 1 3 358.530 2.639 20 0 FFADHO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001589958404 1080902954 /nfs/dbraw/zinc/90/29/54/1080902954.db2.gz WMMOSXDOKWAHQX-ICXUMSERSA-N 1 3 355.490 2.709 20 0 FFADHO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001589958404 1080902958 /nfs/dbraw/zinc/90/29/58/1080902958.db2.gz WMMOSXDOKWAHQX-ICXUMSERSA-N 1 3 355.490 2.709 20 0 FFADHO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038728 249889874 /nfs/dbraw/zinc/88/98/74/249889874.db2.gz MKHJOVATRNARGY-KRWDZBQOSA-N 1 3 369.509 2.707 20 0 FFADHO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000092750657 250000683 /nfs/dbraw/zinc/00/06/83/250000683.db2.gz FWFQWYXUWORDAA-ZBFHGGJFSA-N 1 3 367.559 2.792 20 0 FFADHO C[C@@H]1CCC[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000101994346 250096217 /nfs/dbraw/zinc/09/62/17/250096217.db2.gz XZFDSHPSMPPLEB-SJORKVTESA-N 1 3 350.551 2.671 20 0 FFADHO COc1ccccc1[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103077375 250135131 /nfs/dbraw/zinc/13/51/31/250135131.db2.gz MFXUZVGUGFOUOG-KRWDZBQOSA-N 1 3 373.541 2.864 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[N@H+](C)C1CC1 ZINC000105209262 250204200 /nfs/dbraw/zinc/20/42/00/250204200.db2.gz QRKWQMVJDKEMSI-HOTGVXAUSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[N@@H+](C)C1CC1 ZINC000105209262 250204203 /nfs/dbraw/zinc/20/42/03/250204203.db2.gz QRKWQMVJDKEMSI-HOTGVXAUSA-N 1 3 364.559 2.742 20 0 FFADHO CCc1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000132139288 251049390 /nfs/dbraw/zinc/04/93/90/251049390.db2.gz MEZLLGHGMAJZDO-UHFFFAOYSA-N 1 3 372.557 2.649 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000153238728 251117642 /nfs/dbraw/zinc/11/76/42/251117642.db2.gz OYZRQSBMXPTEMC-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[C@@H]1c1cccs1 ZINC000175512875 251220564 /nfs/dbraw/zinc/22/05/64/251220564.db2.gz CXDBBGWTVALZFT-ZIFCJYIRSA-N 1 3 374.554 2.787 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[C@@H]1c1cccs1 ZINC000175512875 251220568 /nfs/dbraw/zinc/22/05/68/251220568.db2.gz CXDBBGWTVALZFT-ZIFCJYIRSA-N 1 3 374.554 2.787 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538653 251285555 /nfs/dbraw/zinc/28/55/55/251285555.db2.gz DKXQGODMBIICAI-UHFFFAOYSA-N 1 3 365.468 2.729 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000267399982 251345928 /nfs/dbraw/zinc/34/59/28/251345928.db2.gz YGQNSYIIYIZEKL-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000267399982 251345933 /nfs/dbraw/zinc/34/59/33/251345933.db2.gz YGQNSYIIYIZEKL-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272698211 252105345 /nfs/dbraw/zinc/10/53/45/252105345.db2.gz YCYODZZECAZHHI-YLJYHZDGSA-N 1 3 359.514 2.573 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272579887 252072735 /nfs/dbraw/zinc/07/27/35/252072735.db2.gz UYXNQNRSFRZMBK-QCFAMHMHSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272579887 252072737 /nfs/dbraw/zinc/07/27/37/252072737.db2.gz UYXNQNRSFRZMBK-QCFAMHMHSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CC1CCN(C)CC1 ZINC000273159829 252235170 /nfs/dbraw/zinc/23/51/70/252235170.db2.gz BSLPZHYBXBONTB-ROUUACIJSA-N 1 3 357.542 2.991 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273517191 252322510 /nfs/dbraw/zinc/32/25/10/252322510.db2.gz OSNUGJYXDHQKNP-VQTJNVASSA-N 1 3 373.566 2.934 20 0 FFADHO CS[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275848337 256053371 /nfs/dbraw/zinc/05/33/71/256053371.db2.gz VWDXXEZMEQDYCI-ZWKOTPCHSA-N 1 3 362.543 2.792 20 0 FFADHO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cccc(OCCN(C)C)c1 ZINC000277217712 256173213 /nfs/dbraw/zinc/17/32/13/256173213.db2.gz XHDMSZQHGHEWGW-KRWDZBQOSA-N 1 3 369.513 2.737 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC(=O)c2oc3ccccc3c2CN(C)C)CCCO1 ZINC000277413971 256195522 /nfs/dbraw/zinc/19/55/22/256195522.db2.gz FQRUJGXITXLXPK-MRXNPFEDSA-N 1 3 373.497 2.725 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2oc3ccccc3c2CN(C)C)CCCO1 ZINC000277413971 256195524 /nfs/dbraw/zinc/19/55/24/256195524.db2.gz FQRUJGXITXLXPK-MRXNPFEDSA-N 1 3 373.497 2.725 20 0 FFADHO CN1CCC(O)(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000277579832 256213360 /nfs/dbraw/zinc/21/33/60/256213360.db2.gz OLEWFAOBTSICSZ-UHFFFAOYSA-N 1 3 353.304 2.741 20 0 FFADHO CC[NH+](CC)CCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285845405 257007820 /nfs/dbraw/zinc/00/78/20/257007820.db2.gz HUZFLQRRRYLJGF-JOCHJYFZSA-N 1 3 358.574 2.610 20 0 FFADHO OC1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000287476878 257091475 /nfs/dbraw/zinc/09/14/75/257091475.db2.gz MPWVBGMKAZTKDM-PWRODBHTSA-N 1 3 358.526 2.808 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000289298429 257272516 /nfs/dbraw/zinc/27/25/16/257272516.db2.gz BAPQMUVHAMDZNH-FUHWJXTLSA-N 1 3 368.525 2.788 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000289298429 257272517 /nfs/dbraw/zinc/27/25/17/257272517.db2.gz BAPQMUVHAMDZNH-FUHWJXTLSA-N 1 3 368.525 2.788 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000289298429 257272518 /nfs/dbraw/zinc/27/25/18/257272518.db2.gz BAPQMUVHAMDZNH-FUHWJXTLSA-N 1 3 368.525 2.788 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000289338253 257275593 /nfs/dbraw/zinc/27/55/93/257275593.db2.gz VWHGRNIFXPLQQR-OALUTQOASA-N 1 3 358.482 2.919 20 0 FFADHO C[NH+]1CCC(C)(CNCc2cn3ccc(Br)cc3n2)CC1 ZINC000289413277 257279879 /nfs/dbraw/zinc/27/98/79/257279879.db2.gz BSIFMTXFBUCWAR-UHFFFAOYSA-N 1 3 351.292 2.918 20 0 FFADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)sc2C1 ZINC000289619315 257290247 /nfs/dbraw/zinc/29/02/47/257290247.db2.gz BAFDTHXRJNQGGN-HOTGVXAUSA-N 1 3 370.522 2.810 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290475293 257334018 /nfs/dbraw/zinc/33/40/18/257334018.db2.gz NTHRMDBJCSVFMZ-VQIMIIECSA-N 1 3 360.498 2.791 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290475293 257334020 /nfs/dbraw/zinc/33/40/20/257334020.db2.gz NTHRMDBJCSVFMZ-VQIMIIECSA-N 1 3 360.498 2.791 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289583817 257288530 /nfs/dbraw/zinc/28/85/30/257288530.db2.gz FAEIEIRSEZEHEV-QFBILLFUSA-N 1 3 353.938 2.891 20 0 FFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000311837572 258115467 /nfs/dbraw/zinc/11/54/67/258115467.db2.gz QBHGHAHBZVVXDC-AHJNKEMKSA-N 1 3 356.510 2.825 20 0 FFADHO CN1CCC[C@H](CNc2ncc(Cl)c(NC[C@@H]3CCC[N@H+](C)C3)n2)C1 ZINC000301974986 258079686 /nfs/dbraw/zinc/07/96/86/258079686.db2.gz CHBNQKYNKAQXDZ-LSDHHAIUSA-N 1 3 366.941 2.637 20 0 FFADHO CN1CCC[C@H](CNc2ncc(Cl)c(NC[C@@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000301974986 258079688 /nfs/dbraw/zinc/07/96/88/258079688.db2.gz CHBNQKYNKAQXDZ-LSDHHAIUSA-N 1 3 366.941 2.637 20 0 FFADHO [NH3+]C1(CNCCCOc2cccc(I)c2)CCC1 ZINC000572100798 519444252 /nfs/dbraw/zinc/44/42/52/519444252.db2.gz BJEDUUYPSFAFSN-UHFFFAOYSA-N 1 3 360.239 2.531 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000065441681 506301199 /nfs/dbraw/zinc/30/11/99/506301199.db2.gz GFTGLAXUJLWTRE-FQEVSTJZSA-N 1 3 372.557 2.943 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000065441681 506301205 /nfs/dbraw/zinc/30/12/05/506301205.db2.gz GFTGLAXUJLWTRE-FQEVSTJZSA-N 1 3 372.557 2.943 20 0 FFADHO Cn1cc(-c2ncc(CN3CCC(CCC[NH+]4CCCC4)CC3)cn2)cn1 ZINC000369101230 512228679 /nfs/dbraw/zinc/22/86/79/512228679.db2.gz VHEWGHSSJIVVFL-UHFFFAOYSA-N 1 3 368.529 2.965 20 0 FFADHO COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000369140291 512247200 /nfs/dbraw/zinc/24/72/00/512247200.db2.gz QPNWKWQJDXHBOG-NRFANRHFSA-N 1 3 368.525 2.776 20 0 FFADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000375292411 512253447 /nfs/dbraw/zinc/25/34/47/512253447.db2.gz LFWIVMBJFDXMIZ-LVOPCWDJSA-N 1 3 357.542 2.945 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000066176137 506437243 /nfs/dbraw/zinc/43/72/43/506437243.db2.gz ARNKVXRIUGGNQX-HXUWFJFHSA-N 1 3 356.514 2.662 20 0 FFADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000042684021 506654161 /nfs/dbraw/zinc/65/41/61/506654161.db2.gz JBEUJAAFTHQUHV-UHFFFAOYSA-N 1 3 359.558 2.878 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 ZINC000043292105 506729699 /nfs/dbraw/zinc/72/96/99/506729699.db2.gz QDIDMFBWDCCWFS-UHFFFAOYSA-N 1 3 358.530 2.743 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000067679616 506973572 /nfs/dbraw/zinc/97/35/72/506973572.db2.gz SLLCUPCGHWESLC-LJQANCHMSA-N 1 3 350.551 2.626 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000067679616 506973576 /nfs/dbraw/zinc/97/35/76/506973576.db2.gz SLLCUPCGHWESLC-LJQANCHMSA-N 1 3 350.551 2.626 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000068575516 507276205 /nfs/dbraw/zinc/27/62/05/507276205.db2.gz POHBIDVUYZDAIL-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000068575516 507276212 /nfs/dbraw/zinc/27/62/12/507276212.db2.gz POHBIDVUYZDAIL-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068584966 507278924 /nfs/dbraw/zinc/27/89/24/507278924.db2.gz GEAIITFXSJLOIU-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068584966 507278931 /nfs/dbraw/zinc/27/89/31/507278931.db2.gz GEAIITFXSJLOIU-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCN(c2ccncc2)CC1 ZINC000063333549 507721899 /nfs/dbraw/zinc/72/18/99/507721899.db2.gz MYBSOTPSNQCBRU-UHFFFAOYSA-N 1 3 371.529 2.568 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 ZINC000051236037 507753068 /nfs/dbraw/zinc/75/30/68/507753068.db2.gz WCYCTQLQIWMSHJ-UHFFFAOYSA-N 1 3 352.429 2.645 20 0 FFADHO Cc1cccc2c1CCN2C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761098 507783693 /nfs/dbraw/zinc/78/36/93/507783693.db2.gz JMQFRIZHVFHYNI-UHFFFAOYSA-N 1 3 356.514 2.626 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000108549473 507903411 /nfs/dbraw/zinc/90/34/11/507903411.db2.gz VSSXVVVYQWQBTC-SFHVURJKSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108549473 507903413 /nfs/dbraw/zinc/90/34/13/507903413.db2.gz VSSXVVVYQWQBTC-SFHVURJKSA-N 1 3 358.530 2.600 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000079310597 507952529 /nfs/dbraw/zinc/95/25/29/507952529.db2.gz ZCUSZUSSBZOFEW-YLJYHZDGSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000079310597 507952530 /nfs/dbraw/zinc/95/25/30/507952530.db2.gz ZCUSZUSSBZOFEW-YLJYHZDGSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000073774423 507953999 /nfs/dbraw/zinc/95/39/99/507953999.db2.gz BABBIJKYTQVMOY-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000073988713 507974776 /nfs/dbraw/zinc/97/47/76/507974776.db2.gz AXWNFCDUPDHUDP-CTNGQTDRSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000073988713 507974778 /nfs/dbraw/zinc/97/47/78/507974778.db2.gz AXWNFCDUPDHUDP-CTNGQTDRSA-N 1 3 370.541 2.526 20 0 FFADHO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)CN1CCCC1 ZINC000091306456 507979570 /nfs/dbraw/zinc/97/95/70/507979570.db2.gz UGJCPDHDAVKIGI-SJORKVTESA-N 1 3 353.304 2.947 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000074267200 508003892 /nfs/dbraw/zinc/00/38/92/508003892.db2.gz CIRFWYMOOXTBHA-VQTJNVASSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000074267200 508003894 /nfs/dbraw/zinc/00/38/94/508003894.db2.gz CIRFWYMOOXTBHA-VQTJNVASSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074832378 508059294 /nfs/dbraw/zinc/05/92/94/508059294.db2.gz OZHZBJZYICOZFP-QUCCMNQESA-N 1 3 358.530 2.663 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074832378 508059299 /nfs/dbraw/zinc/05/92/99/508059299.db2.gz OZHZBJZYICOZFP-QUCCMNQESA-N 1 3 358.530 2.663 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000092615663 508087140 /nfs/dbraw/zinc/08/71/40/508087140.db2.gz HPRFTIFRVWXHRU-UHFFFAOYSA-N 1 3 366.509 2.638 20 0 FFADHO COCCOc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093734953 508153497 /nfs/dbraw/zinc/15/34/97/508153497.db2.gz JUGXGPHRTRWWKD-UHFFFAOYSA-N 1 3 362.514 2.789 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000093770300 508154758 /nfs/dbraw/zinc/15/47/58/508154758.db2.gz JACDFRHJUNBWGC-FQEVSTJZSA-N 1 3 358.574 2.992 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000093770300 508154759 /nfs/dbraw/zinc/15/47/59/508154759.db2.gz JACDFRHJUNBWGC-FQEVSTJZSA-N 1 3 358.574 2.992 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C(C)C ZINC000102564000 508277888 /nfs/dbraw/zinc/27/78/88/508277888.db2.gz ADDPWQHBBVOMTD-KRWDZBQOSA-N 1 3 366.575 2.990 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C(C)C ZINC000102564000 508277889 /nfs/dbraw/zinc/27/78/89/508277889.db2.gz ADDPWQHBBVOMTD-KRWDZBQOSA-N 1 3 366.575 2.990 20 0 FFADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000085358918 508302993 /nfs/dbraw/zinc/30/29/93/508302993.db2.gz PXAUEACAOLTLTJ-KRWDZBQOSA-N 1 3 360.546 2.710 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114792148 508347777 /nfs/dbraw/zinc/34/77/77/508347777.db2.gz LBKQBSXNEDCIKX-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[N@H+](C)C1CC1 ZINC000105264655 508368099 /nfs/dbraw/zinc/36/80/99/508368099.db2.gz LOAMJEBGFCMMFY-OAHLLOKOSA-N 1 3 366.937 2.896 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[N@@H+](C)C1CC1 ZINC000105264655 508368103 /nfs/dbraw/zinc/36/81/03/508368103.db2.gz LOAMJEBGFCMMFY-OAHLLOKOSA-N 1 3 366.937 2.896 20 0 FFADHO CN1CCC[N@H+](CCCNCc2cc(Br)ccc2F)CC1 ZINC000105477105 508374167 /nfs/dbraw/zinc/37/41/67/508374167.db2.gz UEANLIUBSNIQJN-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2cc(Br)ccc2F)CC1 ZINC000105477105 508374169 /nfs/dbraw/zinc/37/41/69/508374169.db2.gz UEANLIUBSNIQJN-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC2CCN(C(C)=O)CC2)CC1 ZINC000088715716 508381585 /nfs/dbraw/zinc/38/15/85/508381585.db2.gz GVBVJEGFEHKPCK-UHFFFAOYSA-N 1 3 372.557 2.567 20 0 FFADHO CN1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000156564476 508441257 /nfs/dbraw/zinc/44/12/57/508441257.db2.gz MTJNLWLRCFARCI-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO CN1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000156564476 508441260 /nfs/dbraw/zinc/44/12/60/508441260.db2.gz MTJNLWLRCFARCI-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000156608670 508448675 /nfs/dbraw/zinc/44/86/75/508448675.db2.gz DMGVDBYEMVXBPL-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000152690771 508495203 /nfs/dbraw/zinc/49/52/03/508495203.db2.gz MSBKVORZQBRAQM-JOCHJYFZSA-N 1 3 367.537 2.912 20 0 FFADHO Cc1c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cccc1N(C)C ZINC000122361447 508522711 /nfs/dbraw/zinc/52/27/11/508522711.db2.gz IYZRINPNRXZTCA-UHFFFAOYSA-N 1 3 373.545 2.741 20 0 FFADHO CCCc1cnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000122369482 508524634 /nfs/dbraw/zinc/52/46/34/508524634.db2.gz AKLRLNLRDUDIEV-UHFFFAOYSA-N 1 3 365.547 2.776 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000116548627 508528448 /nfs/dbraw/zinc/52/84/48/508528448.db2.gz JXZUJAPALDXLCV-QZTJIDSGSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000116548627 508528452 /nfs/dbraw/zinc/52/84/52/508528452.db2.gz JXZUJAPALDXLCV-QZTJIDSGSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)c2ccsc2S1 ZINC000128032432 508537793 /nfs/dbraw/zinc/53/77/93/508537793.db2.gz JFBWJQFMZIRCBI-KCQAQPDRSA-N 1 3 353.557 2.851 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(OC(F)F)c1 ZINC000128045240 508539239 /nfs/dbraw/zinc/53/92/39/508539239.db2.gz YLJCKWFAWZLNGG-ZFWWWQNUSA-N 1 3 355.429 2.526 20 0 FFADHO O[C@@H]1[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCC12CCOCC2 ZINC000367248261 512405113 /nfs/dbraw/zinc/40/51/13/512405113.db2.gz ZACXOLZGXFQXJA-YLJYHZDGSA-N 1 3 350.547 2.941 20 0 FFADHO O[C@@H]1[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)CCC12CCOCC2 ZINC000367248261 512405118 /nfs/dbraw/zinc/40/51/18/512405118.db2.gz ZACXOLZGXFQXJA-YLJYHZDGSA-N 1 3 350.547 2.941 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000157669400 508595488 /nfs/dbraw/zinc/59/54/88/508595488.db2.gz YSYCVRAKFXXQMH-OAHLLOKOSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000157669400 508595489 /nfs/dbraw/zinc/59/54/89/508595489.db2.gz YSYCVRAKFXXQMH-OAHLLOKOSA-N 1 3 354.445 2.845 20 0 FFADHO O[C@H]1[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCC12CCOCC2 ZINC000367248259 512405298 /nfs/dbraw/zinc/40/52/98/512405298.db2.gz ZACXOLZGXFQXJA-PXNSSMCTSA-N 1 3 350.547 2.941 20 0 FFADHO O[C@H]1[C@H](CNC2CC[NH+](C3CCCCC3)CC2)CCC12CCOCC2 ZINC000367248259 512405303 /nfs/dbraw/zinc/40/53/03/512405303.db2.gz ZACXOLZGXFQXJA-PXNSSMCTSA-N 1 3 350.547 2.941 20 0 FFADHO C[C@]1(CNC(=O)NC2CCN(C3CC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000153639025 508614779 /nfs/dbraw/zinc/61/47/79/508614779.db2.gz JBLLDLQHGFRPHN-JOCHJYFZSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)NC2CCN(C3CC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000153639025 508614782 /nfs/dbraw/zinc/61/47/82/508614782.db2.gz JBLLDLQHGFRPHN-JOCHJYFZSA-N 1 3 370.541 2.967 20 0 FFADHO C[NH+](C)CCCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000123653260 508720629 /nfs/dbraw/zinc/72/06/29/508720629.db2.gz RCXNDBVPVJPKRN-UHFFFAOYSA-N 1 3 362.905 2.902 20 0 FFADHO CC[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)[NH+]1CCCC1 ZINC000119283612 508764712 /nfs/dbraw/zinc/76/47/12/508764712.db2.gz HUIVWHGYNUQMKH-HOTGVXAUSA-N 1 3 363.502 2.885 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000154524230 508801884 /nfs/dbraw/zinc/80/18/84/508801884.db2.gz LWDPRTILCCLPRN-QGZVFWFLSA-N 1 3 350.526 2.960 20 0 FFADHO O=C1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C2(CCC2)N1 ZINC000367278363 512421639 /nfs/dbraw/zinc/42/16/39/512421639.db2.gz MDCQFJGLQLOPCB-NMLBUPMWSA-N 1 3 353.510 2.688 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000119817943 508869057 /nfs/dbraw/zinc/86/90/57/508869057.db2.gz XTTRQFAFZMRSRS-UHFFFAOYSA-N 1 3 362.396 2.542 20 0 FFADHO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000119861016 508878947 /nfs/dbraw/zinc/87/89/47/508878947.db2.gz AVJQBVZPHYIYIU-OTWHNJEPSA-N 1 3 363.546 2.777 20 0 FFADHO CN1CCO[C@H]([C@@H](NCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131393198 508925580 /nfs/dbraw/zinc/92/55/80/508925580.db2.gz IQNBMPGVXVVNRG-OALUTQOASA-N 1 3 351.922 2.643 20 0 FFADHO C[C@@H](c1ccccn1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120309344 508969388 /nfs/dbraw/zinc/96/93/88/508969388.db2.gz UNIKLKMXRSHMCV-SFHVURJKSA-N 1 3 358.530 2.847 20 0 FFADHO CC(=O)NC[C@@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000155610760 509037603 /nfs/dbraw/zinc/03/76/03/509037603.db2.gz CRFMTSCXVXPFLD-IBGZPJMESA-N 1 3 372.557 2.565 20 0 FFADHO CCCN1CCC([NH2+]C[C@H](c2ccc(OC)cc2)N2CCOCC2)CC1 ZINC000120817257 509069700 /nfs/dbraw/zinc/06/97/00/509069700.db2.gz NOJJLLJESDSSQO-OAQYLSRUSA-N 1 3 361.530 2.533 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000151893267 509105899 /nfs/dbraw/zinc/10/58/99/509105899.db2.gz FJGIFIDVGYULBO-KRXUUXHPSA-N 1 3 358.574 2.684 20 0 FFADHO CC(C)S(=O)(=O)CC[NH2+]C1CCC(N(C)Cc2ccccc2)CC1 ZINC000367316332 512439908 /nfs/dbraw/zinc/43/99/08/512439908.db2.gz CWDZEXSBHYNFPU-UHFFFAOYSA-N 1 3 352.544 2.842 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000121267645 509160418 /nfs/dbraw/zinc/16/04/18/509160418.db2.gz SEPHPHFETXARBK-VSKRKVRLSA-N 1 3 369.553 2.871 20 0 FFADHO Cc1ccc(NC(=O)NCCN2CCCC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000121365589 509169963 /nfs/dbraw/zinc/16/99/63/509169963.db2.gz MLJCVNZTROLXHT-QGZVFWFLSA-N 1 3 362.518 2.931 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195613990 509212407 /nfs/dbraw/zinc/21/24/07/509212407.db2.gz BMSLKRHKMWLZOR-FGTMMUONSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195613990 509212413 /nfs/dbraw/zinc/21/24/13/509212413.db2.gz BMSLKRHKMWLZOR-FGTMMUONSA-N 1 3 352.567 2.917 20 0 FFADHO C[NH2+]C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000179008080 509223015 /nfs/dbraw/zinc/22/30/15/509223015.db2.gz HPELTGWWCDPGTO-AEFFLSMTSA-N 1 3 369.431 2.509 20 0 FFADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000162771626 509296791 /nfs/dbraw/zinc/29/67/91/509296791.db2.gz TXKBSKLCWCMNCW-KRWDZBQOSA-N 1 3 350.470 2.835 20 0 FFADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000162771626 509296799 /nfs/dbraw/zinc/29/67/99/509296799.db2.gz TXKBSKLCWCMNCW-KRWDZBQOSA-N 1 3 350.470 2.835 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248440410 509321971 /nfs/dbraw/zinc/32/19/71/509321971.db2.gz JLRFWAGWNADUSS-LPHOPBHVSA-N 1 3 362.514 2.853 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248440410 509321976 /nfs/dbraw/zinc/32/19/76/509321976.db2.gz JLRFWAGWNADUSS-LPHOPBHVSA-N 1 3 362.514 2.853 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000248509246 509345636 /nfs/dbraw/zinc/34/56/36/509345636.db2.gz YUILQRZSFACVQE-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO CCOC(=O)N1CC[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000185781896 509352956 /nfs/dbraw/zinc/35/29/56/509352956.db2.gz ZMJRRDUGCFFOIY-SFHVURJKSA-N 1 3 374.529 2.537 20 0 FFADHO C[C@@H](CCNC(=O)N1CCC[C@H]1CN1CCCCC1)[NH+]1CCCCC1 ZINC000182691022 509375953 /nfs/dbraw/zinc/37/59/53/509375953.db2.gz VTJSYQVRSJSPEU-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO COc1ccc([C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000163500259 509384605 /nfs/dbraw/zinc/38/46/05/509384605.db2.gz UHMNKMVBCOOQRX-LAUBAEHRSA-N 1 3 373.541 2.974 20 0 FFADHO C[NH+]1CCC(C)(CNCc2cc3c(cc2Br)OCO3)CC1 ZINC000227328188 509409221 /nfs/dbraw/zinc/40/92/21/509409221.db2.gz JRSUIAFQATVXEO-UHFFFAOYSA-N 1 3 355.276 2.999 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163931715 509443163 /nfs/dbraw/zinc/44/31/63/509443163.db2.gz RVYABOASVLRPOP-UNMCSNQZSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000248707282 509446419 /nfs/dbraw/zinc/44/64/19/509446419.db2.gz BBHBFIQAMWMZFM-UYAOXDASSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248707282 509446424 /nfs/dbraw/zinc/44/64/24/509446424.db2.gz BBHBFIQAMWMZFM-UYAOXDASSA-N 1 3 358.530 2.540 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)[C@@H]1c1ccccc1 ZINC000179487983 509473068 /nfs/dbraw/zinc/47/30/68/509473068.db2.gz PVYCQTNISRAOEN-UXHICEINSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236686480 509480021 /nfs/dbraw/zinc/48/00/21/509480021.db2.gz VQFYIUIYNAKSLB-FGZHOGPDSA-N 1 3 365.521 2.928 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC(C(=O)OC)CC3)cc2)CC1 ZINC000192439425 509517748 /nfs/dbraw/zinc/51/77/48/509517748.db2.gz HVTHDYVLAWMAFV-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000164609975 509518905 /nfs/dbraw/zinc/51/89/05/509518905.db2.gz WLZUYLHLFCYQTL-HXUWFJFHSA-N 1 3 355.482 2.723 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3ccccc3C[NH2+]C)cc2)CC1 ZINC000236998484 509549834 /nfs/dbraw/zinc/54/98/34/509549834.db2.gz NSRPLPQAQLKONN-UHFFFAOYSA-N 1 3 352.482 2.800 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C)CC1 ZINC000173381542 509563614 /nfs/dbraw/zinc/56/36/14/509563614.db2.gz MXVPNMFYVXZPQA-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C)CC1 ZINC000173381542 509563620 /nfs/dbraw/zinc/56/36/20/509563620.db2.gz MXVPNMFYVXZPQA-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000173412413 509583276 /nfs/dbraw/zinc/58/32/76/509583276.db2.gz GEDJROYGCDAXBR-NSISKUIASA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000173412413 509583284 /nfs/dbraw/zinc/58/32/84/509583284.db2.gz GEDJROYGCDAXBR-NSISKUIASA-N 1 3 360.546 2.976 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000176591182 509599076 /nfs/dbraw/zinc/59/90/76/509599076.db2.gz WBRAAHRNVWLZNA-UXHICEINSA-N 1 3 360.546 2.941 20 0 FFADHO CN(C)C(=O)[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000179755433 509606745 /nfs/dbraw/zinc/60/67/45/509606745.db2.gz AUJIYRCWMZWHEC-HXUWFJFHSA-N 1 3 352.482 2.717 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000179770813 509615161 /nfs/dbraw/zinc/61/51/61/509615161.db2.gz TXHACZVQTJUFCV-GUXCAODWSA-N 1 3 358.530 2.525 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000179770813 509615168 /nfs/dbraw/zinc/61/51/68/509615168.db2.gz TXHACZVQTJUFCV-GUXCAODWSA-N 1 3 358.530 2.525 20 0 FFADHO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000183136960 509620140 /nfs/dbraw/zinc/62/01/40/509620140.db2.gz RGAMPXFILOTVLH-WOZUAGRISA-N 1 3 365.525 2.792 20 0 FFADHO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000183149033 509628245 /nfs/dbraw/zinc/62/82/45/509628245.db2.gz DKDHZNUEARYKBV-TUFLPTIASA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183149033 509628248 /nfs/dbraw/zinc/62/82/48/509628248.db2.gz DKDHZNUEARYKBV-TUFLPTIASA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183149033 509628252 /nfs/dbraw/zinc/62/82/52/509628252.db2.gz DKDHZNUEARYKBV-TUFLPTIASA-N 1 3 355.526 2.888 20 0 FFADHO CCOC(=O)C[C@H](C)N(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000183179576 509642833 /nfs/dbraw/zinc/64/28/33/509642833.db2.gz QLJKYBGDQBOZHG-KRWDZBQOSA-N 1 3 361.530 2.991 20 0 FFADHO CSCC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167846832 509643038 /nfs/dbraw/zinc/64/30/38/509643038.db2.gz TZUODHRLBFVEJL-KRWDZBQOSA-N 1 3 369.962 2.749 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CSCCN2)CC[N@@H+]1Cc1ccccc1 ZINC000237564975 509678728 /nfs/dbraw/zinc/67/87/28/509678728.db2.gz RMQYCDBKUHAGMV-QRQLOZEOSA-N 1 3 361.555 2.593 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CSCCN2)CC[N@H+]1Cc1ccccc1 ZINC000237564975 509678733 /nfs/dbraw/zinc/67/87/33/509678733.db2.gz RMQYCDBKUHAGMV-QRQLOZEOSA-N 1 3 361.555 2.593 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CN1Cc1ccccc1 ZINC000183280240 509696255 /nfs/dbraw/zinc/69/62/55/509696255.db2.gz XRAHSPOLKMBZJL-HZEGPAAWSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CN1Cc1ccccc1 ZINC000183280240 509696258 /nfs/dbraw/zinc/69/62/58/509696258.db2.gz XRAHSPOLKMBZJL-HZEGPAAWSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268038425 509730556 /nfs/dbraw/zinc/73/05/56/509730556.db2.gz XHIBJMHFGPLJNR-RMVXJAJNSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268038425 509730561 /nfs/dbraw/zinc/73/05/61/509730561.db2.gz XHIBJMHFGPLJNR-RMVXJAJNSA-N 1 3 372.557 2.879 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000249756464 509754924 /nfs/dbraw/zinc/75/49/24/509754924.db2.gz UVLYWHDEXQZAPX-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000249756464 509754935 /nfs/dbraw/zinc/75/49/35/509754935.db2.gz UVLYWHDEXQZAPX-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CC[NH+]1CCN(C)CC1)N[C@@H](C)c1ncc(Br)s1 ZINC000186564610 509774366 /nfs/dbraw/zinc/77/43/66/509774366.db2.gz WRBXVFZNDBGVEK-NEPJUHHUSA-N 1 3 361.353 2.582 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000183430919 509783808 /nfs/dbraw/zinc/78/38/08/509783808.db2.gz XGWHXXYJFLMTJK-CVEARBPZSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000183430919 509783815 /nfs/dbraw/zinc/78/38/15/509783815.db2.gz XGWHXXYJFLMTJK-CVEARBPZSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000183430956 509784334 /nfs/dbraw/zinc/78/43/34/509784334.db2.gz XGWHXXYJFLMTJK-HOTGVXAUSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000183430956 509784340 /nfs/dbraw/zinc/78/43/40/509784340.db2.gz XGWHXXYJFLMTJK-HOTGVXAUSA-N 1 3 361.486 2.512 20 0 FFADHO C[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000186584080 509786424 /nfs/dbraw/zinc/78/64/24/509786424.db2.gz SXXMKFIMHIIBJL-WMQCIHAUSA-N 1 3 366.509 2.888 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC[C@H]2COC4(CCOCC4)O2)C3)cc1 ZINC000180173026 509792824 /nfs/dbraw/zinc/79/28/24/509792824.db2.gz QQDBLNBPEFXKOR-VTHDOGFWSA-N 1 3 372.509 2.694 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC[C@H]2COC4(CCOCC4)O2)C3)cc1 ZINC000180173026 509792835 /nfs/dbraw/zinc/79/28/35/509792835.db2.gz QQDBLNBPEFXKOR-VTHDOGFWSA-N 1 3 372.509 2.694 20 0 FFADHO C[NH+]1CCC(O)(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000268192964 509806562 /nfs/dbraw/zinc/80/65/62/509806562.db2.gz LAMHULJFSCLEFI-UHFFFAOYSA-N 1 3 356.514 2.716 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268211300 509815823 /nfs/dbraw/zinc/81/58/23/509815823.db2.gz ZQEMYKQGILKTNG-LMNJBCLMSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268211300 509815833 /nfs/dbraw/zinc/81/58/33/509815833.db2.gz ZQEMYKQGILKTNG-LMNJBCLMSA-N 1 3 370.541 2.633 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000265038028 509833014 /nfs/dbraw/zinc/83/30/14/509833014.db2.gz MIWLIEIKZCUELS-SFHVURJKSA-N 1 3 369.513 2.701 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000265038028 509833020 /nfs/dbraw/zinc/83/30/20/509833020.db2.gz MIWLIEIKZCUELS-SFHVURJKSA-N 1 3 369.513 2.701 20 0 FFADHO C[N@H+](CCNC(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCC1 ZINC000170921447 509847598 /nfs/dbraw/zinc/84/75/98/509847598.db2.gz BBMBCTVUXQFOQH-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO C[N@@H+](CCNC(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCC1 ZINC000170921447 509847602 /nfs/dbraw/zinc/84/76/02/509847602.db2.gz BBMBCTVUXQFOQH-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000171037198 509903500 /nfs/dbraw/zinc/90/35/00/509903500.db2.gz LXDDUBHUUDFNNA-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO Cn1ccc2cccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c21 ZINC000190061060 509916777 /nfs/dbraw/zinc/91/67/77/509916777.db2.gz UMBNURNUBGFFNB-UHFFFAOYSA-N 1 3 369.513 2.858 20 0 FFADHO CN(C)CC[NH+]1CCC(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180452466 509932014 /nfs/dbraw/zinc/93/20/14/509932014.db2.gz CXGLVANDMLLAQY-NRFANRHFSA-N 1 3 373.520 2.512 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccccc4)CCC3)CC2)CC1 ZINC000171095815 509937896 /nfs/dbraw/zinc/93/78/96/509937896.db2.gz WSIQPWVYQUTUQJ-UHFFFAOYSA-N 1 3 370.541 2.924 20 0 FFADHO C[C@H](NC1CCN(CC[NH+](C)C)CC1)c1ncc(Br)cc1F ZINC000186985649 509987490 /nfs/dbraw/zinc/98/74/90/509987490.db2.gz DIXOMTRZAHDLDA-LBPRGKRZSA-N 1 3 373.314 2.660 20 0 FFADHO CCc1cnc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000174234094 510015522 /nfs/dbraw/zinc/01/55/22/510015522.db2.gz ZVGHEJDECRLNIV-AWEZNQCLSA-N 1 3 353.536 2.585 20 0 FFADHO CCc1cnc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000174234094 510015530 /nfs/dbraw/zinc/01/55/30/510015530.db2.gz ZVGHEJDECRLNIV-AWEZNQCLSA-N 1 3 353.536 2.585 20 0 FFADHO C[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261666901 510019426 /nfs/dbraw/zinc/01/94/26/510019426.db2.gz AHLORHQYGYYZTK-RVSPLBMKSA-N 1 3 357.420 2.942 20 0 FFADHO C[C@]1(C[NH3+])CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000261670898 510021517 /nfs/dbraw/zinc/02/15/17/510021517.db2.gz ACTZBXLDBIUANT-QZTJIDSGSA-N 1 3 369.431 2.638 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245631628 510049473 /nfs/dbraw/zinc/04/94/73/510049473.db2.gz ICEJWUOLFGUUOF-PMACEKPBSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245683912 510083320 /nfs/dbraw/zinc/08/33/20/510083320.db2.gz VVVSXYGYFDIKPC-RLLQIKCJSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245683912 510083325 /nfs/dbraw/zinc/08/33/25/510083325.db2.gz VVVSXYGYFDIKPC-RLLQIKCJSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2c(c1)COC2 ZINC000268856500 510102891 /nfs/dbraw/zinc/10/28/91/510102891.db2.gz QMDCESDRJKGZNK-MRXNPFEDSA-N 1 3 367.493 2.859 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)CN1CCN(C)CC1 ZINC000268933185 510144386 /nfs/dbraw/zinc/14/43/86/510144386.db2.gz TZQPYIYEJQHMOZ-SJBKTWHCSA-N 1 3 358.574 2.513 20 0 FFADHO CN(c1ccccc1C[NH2+][C@@H]1CCc2n[nH]cc2C1)C1CCN(C)CC1 ZINC000177585615 510147652 /nfs/dbraw/zinc/14/76/52/510147652.db2.gz DQHBPSVKEDIUFR-GOSISDBHSA-N 1 3 353.514 2.587 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174523681 510158621 /nfs/dbraw/zinc/15/86/21/510158621.db2.gz FEUDEROEGIWJRK-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194041021 510187579 /nfs/dbraw/zinc/18/75/79/510187579.db2.gz WGBBBOQYQBIUOF-UXHICEINSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194041021 510187584 /nfs/dbraw/zinc/18/75/84/510187584.db2.gz WGBBBOQYQBIUOF-UXHICEINSA-N 1 3 360.546 2.784 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262236026 510216772 /nfs/dbraw/zinc/21/67/72/510216772.db2.gz HJHFQYSAIFBUMU-CRGSBQTFSA-N 1 3 370.541 2.877 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000194106231 510218459 /nfs/dbraw/zinc/21/84/59/510218459.db2.gz OFJYMHJNYGWBHU-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000194106231 510218470 /nfs/dbraw/zinc/21/84/70/510218470.db2.gz OFJYMHJNYGWBHU-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000194106219 510218680 /nfs/dbraw/zinc/21/86/80/510218680.db2.gz OFJYMHJNYGWBHU-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000194106219 510218689 /nfs/dbraw/zinc/21/86/89/510218689.db2.gz OFJYMHJNYGWBHU-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000245963307 510229748 /nfs/dbraw/zinc/22/97/48/510229748.db2.gz MYBSQNQXOKABHA-IYWMVGAKSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000245963307 510229754 /nfs/dbraw/zinc/22/97/54/510229754.db2.gz MYBSQNQXOKABHA-IYWMVGAKSA-N 1 3 364.578 2.870 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000269111534 510241100 /nfs/dbraw/zinc/24/11/00/510241100.db2.gz JRXJZGQVJVTNLN-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000269111534 510241106 /nfs/dbraw/zinc/24/11/06/510241106.db2.gz JRXJZGQVJVTNLN-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO C[NH2+]CCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262470596 510291400 /nfs/dbraw/zinc/29/14/00/510291400.db2.gz YHPNEOLLXXQOTF-RHSMWYFYSA-N 1 3 357.420 2.814 20 0 FFADHO C[NH2+]CCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262470602 510291824 /nfs/dbraw/zinc/29/18/24/510291824.db2.gz YHPNEOLLXXQOTF-YOEHRIQHSA-N 1 3 357.420 2.814 20 0 FFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000177921115 510328697 /nfs/dbraw/zinc/32/86/97/510328697.db2.gz DADMCHHKCHMPCS-WIRSXHRWSA-N 1 3 373.541 2.756 20 0 FFADHO CC[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000262673644 510362473 /nfs/dbraw/zinc/36/24/73/510362473.db2.gz QIRWZRIVCNJZLM-SLYNCCJLSA-N 1 3 357.542 2.965 20 0 FFADHO CCC[C@@](C)([NH3+])C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000262707851 510379054 /nfs/dbraw/zinc/37/90/54/510379054.db2.gz NOHNYVFOZUSMLL-OAQYLSRUSA-N 1 3 360.546 2.531 20 0 FFADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1(C)C ZINC000262811300 510422066 /nfs/dbraw/zinc/42/20/66/510422066.db2.gz VEIQYNHYTKEHOY-WOIUINJBSA-N 1 3 373.541 2.690 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CN1C1CC1 ZINC000246347520 510440241 /nfs/dbraw/zinc/44/02/41/510440241.db2.gz OVIBGPCEHNWCTL-CEXWTWQISA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000246561105 510556789 /nfs/dbraw/zinc/55/67/89/510556789.db2.gz YZQQMUTYJQKWCF-MKXGPGLRSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)CC2 ZINC000246561105 510556793 /nfs/dbraw/zinc/55/67/93/510556793.db2.gz YZQQMUTYJQKWCF-MKXGPGLRSA-N 1 3 350.551 2.764 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cn(C)c2ccccc12 ZINC000194872520 510567758 /nfs/dbraw/zinc/56/77/58/510567758.db2.gz OZDFAKFZGXXGOK-KRWDZBQOSA-N 1 3 356.514 2.666 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cn(C)c2ccccc12 ZINC000194872520 510567764 /nfs/dbraw/zinc/56/77/64/510567764.db2.gz OZDFAKFZGXXGOK-KRWDZBQOSA-N 1 3 356.514 2.666 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000184911813 510579690 /nfs/dbraw/zinc/57/96/90/510579690.db2.gz MWJNSUVASRQBMH-UHFFFAOYSA-N 1 3 371.529 2.577 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000172199504 510594587 /nfs/dbraw/zinc/59/45/87/510594587.db2.gz ZXEYKWPBVUZBKR-OAQYLSRUSA-N 1 3 370.541 2.825 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cc2)CC1 ZINC000263220510 510618548 /nfs/dbraw/zinc/61/85/48/510618548.db2.gz LUGFVXIZHCFCKY-FPOVZHCZSA-N 1 3 358.530 2.670 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CN(C)C)cc2)[C@@H](C)C1 ZINC000246691613 510619922 /nfs/dbraw/zinc/61/99/22/510619922.db2.gz DCFNYZXSCQPZLE-FXAWDEMLSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CN(C)C)cc2)[C@@H](C)C1 ZINC000246691613 510619926 /nfs/dbraw/zinc/61/99/26/510619926.db2.gz DCFNYZXSCQPZLE-FXAWDEMLSA-N 1 3 361.530 2.615 20 0 FFADHO CSC[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000178565756 510665105 /nfs/dbraw/zinc/66/51/05/510665105.db2.gz SRYQWOXIOCVYJA-LJQANCHMSA-N 1 3 361.555 2.726 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(OCCN(C)C)c1 ZINC000181966219 510682939 /nfs/dbraw/zinc/68/29/39/510682939.db2.gz UWAUECRLWBRAPG-SFHVURJKSA-N 1 3 374.529 2.885 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@@H](N2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175646841 510711190 /nfs/dbraw/zinc/71/11/90/510711190.db2.gz YWPQWMAABVWEBC-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@@H](N2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646841 510711195 /nfs/dbraw/zinc/71/11/95/510711195.db2.gz YWPQWMAABVWEBC-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178688650 510721292 /nfs/dbraw/zinc/72/12/92/510721292.db2.gz MUEGHTPSHDZIBM-JBACZVJFSA-N 1 3 355.526 2.730 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185186432 510736006 /nfs/dbraw/zinc/73/60/06/510736006.db2.gz ZFPGELRFAXQAIW-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1(C)C ZINC000185214867 510752373 /nfs/dbraw/zinc/75/23/73/510752373.db2.gz HNDCOASMVYVNTB-MOPGFXCFSA-N 1 3 361.530 2.660 20 0 FFADHO CN1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC000270341785 510769226 /nfs/dbraw/zinc/76/92/26/510769226.db2.gz LEKBHCOTKHFOPJ-OLPBJYBYSA-N 1 3 356.514 2.746 20 0 FFADHO CN1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC000270341785 510769235 /nfs/dbraw/zinc/76/92/35/510769235.db2.gz LEKBHCOTKHFOPJ-OLPBJYBYSA-N 1 3 356.514 2.746 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCc4c3cccc4F)CC2)CC1 ZINC000263680778 510786485 /nfs/dbraw/zinc/78/64/85/510786485.db2.gz DQNTVJCTQGPBSG-HXUWFJFHSA-N 1 3 374.504 2.671 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000178873581 510814741 /nfs/dbraw/zinc/81/47/41/510814741.db2.gz FEWFEZRSQNEEQE-GIVPXCGWSA-N 1 3 370.541 2.683 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000172616024 510822172 /nfs/dbraw/zinc/82/21/72/510822172.db2.gz NIAUQWKFSBXXCT-RXVVDRJESA-N 1 3 372.557 2.772 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000172616024 510822176 /nfs/dbraw/zinc/82/21/76/510822176.db2.gz NIAUQWKFSBXXCT-RXVVDRJESA-N 1 3 372.557 2.772 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000188582711 510834507 /nfs/dbraw/zinc/83/45/07/510834507.db2.gz JBPAHTJPXLDNGG-UHFFFAOYSA-N 1 3 360.546 2.943 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000182260304 510836845 /nfs/dbraw/zinc/83/68/45/510836845.db2.gz UARUVTHYFSVRJD-WOZUAGRISA-N 1 3 356.510 2.691 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000247248510 510854267 /nfs/dbraw/zinc/85/42/67/510854267.db2.gz ZNBHSBBKAADFDF-FXAWDEMLSA-N 1 3 361.530 2.615 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247660087 510868107 /nfs/dbraw/zinc/86/81/07/510868107.db2.gz ZTJLEBYEBQLWBQ-ICSRJNTNSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247660087 510868108 /nfs/dbraw/zinc/86/81/08/510868108.db2.gz ZTJLEBYEBQLWBQ-ICSRJNTNSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cnn(Cc2ccccc2)c1 ZINC000282215966 510889397 /nfs/dbraw/zinc/88/93/97/510889397.db2.gz HQAXWZLJNDUUAJ-GOSISDBHSA-N 1 3 355.530 2.608 20 0 FFADHO Brc1cnn(CCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297304093 510896011 /nfs/dbraw/zinc/89/60/11/510896011.db2.gz BJPANUMJCCVVHF-UHFFFAOYSA-N 1 3 364.291 2.689 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccnn1CCN(C)C ZINC000297474124 510960056 /nfs/dbraw/zinc/96/00/56/510960056.db2.gz RQNFBLKODMHUJH-UHFFFAOYSA-N 1 3 372.517 2.560 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000282601694 511041501 /nfs/dbraw/zinc/04/15/01/511041501.db2.gz HUPPSZUBFHEMGB-CALCHBBNSA-N 1 3 371.529 2.863 20 0 FFADHO O=C(C[C@H]1CSCCN1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361719519 511083873 /nfs/dbraw/zinc/08/38/73/511083873.db2.gz USCVLCMCABGYNA-FPOVZHCZSA-N 1 3 373.566 2.596 20 0 FFADHO O=C(C[C@H]1CSCCN1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361719519 511083879 /nfs/dbraw/zinc/08/38/79/511083879.db2.gz USCVLCMCABGYNA-FPOVZHCZSA-N 1 3 373.566 2.596 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000364852025 511115018 /nfs/dbraw/zinc/11/50/18/511115018.db2.gz PUSQGEZZMZNYNG-NRFANRHFSA-N 1 3 370.541 2.777 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000279536750 511119686 /nfs/dbraw/zinc/11/96/86/511119686.db2.gz AGDGRQXREVELHF-SFHVURJKSA-N 1 3 355.530 2.544 20 0 FFADHO CCN(CCC(C)CC[N@H+](CC)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000298038345 511152963 /nfs/dbraw/zinc/15/29/63/511152963.db2.gz GKGIVHILRTXDJS-UHFFFAOYSA-N 1 3 360.550 2.914 20 0 FFADHO CCN(CCC(C)CC[N@@H+](CC)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000298038345 511152968 /nfs/dbraw/zinc/15/29/68/511152968.db2.gz GKGIVHILRTXDJS-UHFFFAOYSA-N 1 3 360.550 2.914 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H]1SC ZINC000291387495 511178178 /nfs/dbraw/zinc/17/81/78/511178178.db2.gz CBHBNQYMUVEJQL-AQNXPRMDSA-N 1 3 364.555 2.642 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000362355389 511179056 /nfs/dbraw/zinc/17/90/56/511179056.db2.gz XVTZUQYXDDMKCQ-ROUUACIJSA-N 1 3 350.551 2.624 20 0 FFADHO O[C@@H](CNC1CC(c2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000279757288 511203427 /nfs/dbraw/zinc/20/34/27/511203427.db2.gz QSDWKMNOJHCCBJ-PREGVCBESA-N 1 3 353.304 2.741 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279762507 511205631 /nfs/dbraw/zinc/20/56/31/511205631.db2.gz FAHOYRUJKBFYPB-FQEVSTJZSA-N 1 3 356.514 2.773 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000294936021 511226269 /nfs/dbraw/zinc/22/62/69/511226269.db2.gz BNBVYCNJQKEGKQ-AWEZNQCLSA-N 1 3 357.267 2.622 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000271508699 511228231 /nfs/dbraw/zinc/22/82/31/511228231.db2.gz NJIBHKHOCXOQAM-YJSIEXFISA-N 1 3 371.569 2.864 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000283389046 511348197 /nfs/dbraw/zinc/34/81/97/511348197.db2.gz UFXHDVJFBHTJIZ-GGAORHGYSA-N 1 3 372.601 2.903 20 0 FFADHO COc1cc([C@@H](C)NCC2=CC[N@H+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000271897481 511364036 /nfs/dbraw/zinc/36/40/36/511364036.db2.gz UOHKHEXBALNOPZ-GFCCVEGCSA-N 1 3 374.453 2.604 20 0 FFADHO COc1cc([C@@H](C)NCC2=CC[N@@H+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000271897481 511364038 /nfs/dbraw/zinc/36/40/38/511364038.db2.gz UOHKHEXBALNOPZ-GFCCVEGCSA-N 1 3 374.453 2.604 20 0 FFADHO CC(C)(O)c1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000295362246 511377280 /nfs/dbraw/zinc/37/72/80/511377280.db2.gz JJIZTMJKPWDKQF-UHFFFAOYSA-N 1 3 368.525 2.611 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218872 511468414 /nfs/dbraw/zinc/46/84/14/511468414.db2.gz ILUUZRGNKWFRLD-PKOBYXMFSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218872 511468418 /nfs/dbraw/zinc/46/84/18/511468418.db2.gz ILUUZRGNKWFRLD-PKOBYXMFSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCC(C)CC1 ZINC000303079345 511727391 /nfs/dbraw/zinc/72/73/91/511727391.db2.gz TXHVEICMNBVNCF-GUDVDZBRSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000303172136 511728590 /nfs/dbraw/zinc/72/85/90/511728590.db2.gz RHTOGOBBGFKNPA-ZWKOTPCHSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000303172136 511728595 /nfs/dbraw/zinc/72/85/95/511728595.db2.gz RHTOGOBBGFKNPA-ZWKOTPCHSA-N 1 3 352.567 2.917 20 0 FFADHO CCC[C@@H](C)C(=O)NCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000292859503 511747968 /nfs/dbraw/zinc/74/79/68/511747968.db2.gz ZYZPAGHCOSXWMY-GOSISDBHSA-N 1 3 374.573 2.859 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1F ZINC000311400096 511776485 /nfs/dbraw/zinc/77/64/85/511776485.db2.gz RHJZEMXWHRGREL-RBUKOAKNSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1F ZINC000311400096 511776487 /nfs/dbraw/zinc/77/64/87/511776487.db2.gz RHJZEMXWHRGREL-RBUKOAKNSA-N 1 3 358.457 2.677 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000274619483 511890761 /nfs/dbraw/zinc/89/07/61/511890761.db2.gz MAVRCUDFQNEHKP-URVUXULASA-N 1 3 358.574 2.655 20 0 FFADHO COCCCN1CCC([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274960004 511998612 /nfs/dbraw/zinc/99/86/12/511998612.db2.gz WKMDSHJUOOODNO-PZJWPPBQSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000369515636 512448519 /nfs/dbraw/zinc/44/85/19/512448519.db2.gz AIKMFLVWLODPNW-ANULTFPQSA-N 1 3 351.579 2.664 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000369515636 512448523 /nfs/dbraw/zinc/44/85/23/512448523.db2.gz AIKMFLVWLODPNW-ANULTFPQSA-N 1 3 351.579 2.664 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3cscc3Br)C2)CC1 ZINC000375790078 512507681 /nfs/dbraw/zinc/50/76/81/512507681.db2.gz VTCCEVNJILQKBY-ZDUSSCGKSA-N 1 3 358.349 2.769 20 0 FFADHO CN1CCC([N@@H+]2CC[C@H](NCc3cscc3Br)C2)CC1 ZINC000375790078 512507683 /nfs/dbraw/zinc/50/76/83/512507683.db2.gz VTCCEVNJILQKBY-ZDUSSCGKSA-N 1 3 358.349 2.769 20 0 FFADHO CN1CCC([N@H+]2CC[C@H](NCc3cscc3Br)C2)CC1 ZINC000375790078 512507689 /nfs/dbraw/zinc/50/76/89/512507689.db2.gz VTCCEVNJILQKBY-ZDUSSCGKSA-N 1 3 358.349 2.769 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000377937080 512519851 /nfs/dbraw/zinc/51/98/51/512519851.db2.gz FJMLXERKNMWBPO-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000377937080 512519855 /nfs/dbraw/zinc/51/98/55/512519855.db2.gz FJMLXERKNMWBPO-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO c1cc(CN2CCC[C@@H]2CN2CCOCC2)cc(C[NH+]2CCCCC2)c1 ZINC000411289650 512564847 /nfs/dbraw/zinc/56/48/47/512564847.db2.gz FUSJUYWVSVQMOU-JOCHJYFZSA-N 1 3 357.542 2.969 20 0 FFADHO c1cc(CN2CCN(C3CCOCC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411301473 512570788 /nfs/dbraw/zinc/57/07/88/512570788.db2.gz DCXKOOOLRJKSEZ-UHFFFAOYSA-N 1 3 357.542 2.969 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375968443 512594325 /nfs/dbraw/zinc/59/43/25/512594325.db2.gz JHGADPAQKRPQTP-AEFFLSMTSA-N 1 3 369.431 2.595 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000369773944 512602952 /nfs/dbraw/zinc/60/29/52/512602952.db2.gz FZTXQWQSCXOGMT-SFTDATJTSA-N 1 3 373.541 2.513 20 0 FFADHO COC(=O)CC1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000411379839 512607970 /nfs/dbraw/zinc/60/79/70/512607970.db2.gz FXVAJKBBCVGTDF-UHFFFAOYSA-N 1 3 360.498 2.874 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000374004142 512616528 /nfs/dbraw/zinc/61/65/28/512616528.db2.gz VPGDTLKSHBXUQG-UGKGYDQZSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000374004142 512616533 /nfs/dbraw/zinc/61/65/33/512616533.db2.gz VPGDTLKSHBXUQG-UGKGYDQZSA-N 1 3 370.541 2.682 20 0 FFADHO CN(c1ccccc1C[N@@H+]1CC[C@@H](c2nccn2C)C1)C1CCN(C)CC1 ZINC000367701432 512622803 /nfs/dbraw/zinc/62/28/03/512622803.db2.gz KRMNMVZDUKPIAO-LJQANCHMSA-N 1 3 367.541 2.940 20 0 FFADHO CN(c1ccccc1C[N@H+]1CC[C@@H](c2nccn2C)C1)C1CCN(C)CC1 ZINC000367701432 512622804 /nfs/dbraw/zinc/62/28/04/512622804.db2.gz KRMNMVZDUKPIAO-LJQANCHMSA-N 1 3 367.541 2.940 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000378207185 512639262 /nfs/dbraw/zinc/63/92/62/512639262.db2.gz BUSXBCDNCKZOHT-UHFFFAOYSA-N 1 3 351.494 2.641 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000369893506 512668866 /nfs/dbraw/zinc/66/88/66/512668866.db2.gz QASVXTCMGRSKRH-UHFFFAOYSA-N 1 3 367.541 2.926 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](CCN3CCCc4ccccc43)CC2)CC1 ZINC000378309788 512688617 /nfs/dbraw/zinc/68/86/17/512688617.db2.gz IVLNGDSRJSLFQQ-UHFFFAOYSA-N 1 3 370.585 2.930 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000376193640 512703007 /nfs/dbraw/zinc/70/30/07/512703007.db2.gz FWJQGVRIEARDIP-NRSPTQNISA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376193640 512703013 /nfs/dbraw/zinc/70/30/13/512703013.db2.gz FWJQGVRIEARDIP-NRSPTQNISA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C2CCN(c3ccccc3)CC2)CC1 ZINC000411666150 512746261 /nfs/dbraw/zinc/74/62/61/512746261.db2.gz LUXCRVZUHVCGIG-UHFFFAOYSA-N 1 3 372.557 2.576 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000376571886 512879019 /nfs/dbraw/zinc/87/90/19/512879019.db2.gz DCWKROWPXJSTQH-BTHPGYMESA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000376571886 512879023 /nfs/dbraw/zinc/87/90/23/512879023.db2.gz DCWKROWPXJSTQH-BTHPGYMESA-N 1 3 356.514 2.575 20 0 FFADHO O=C(CN1C[C@H](c2ccccc2)C2(CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000411992594 512905144 /nfs/dbraw/zinc/90/51/44/512905144.db2.gz VMROUSIIUWYFRC-OAQYLSRUSA-N 1 3 367.537 2.999 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368388371 512925132 /nfs/dbraw/zinc/92/51/32/512925132.db2.gz QTJVUYHOWDVJRJ-IEBWSBKVSA-N 1 3 362.514 2.598 20 0 FFADHO OC1(CNCc2cccc3c2OCO3)CC[NH+](Cc2ccccc2)CC1 ZINC000397491033 512946603 /nfs/dbraw/zinc/94/66/03/512946603.db2.gz IWAIJBOVSNHCPU-UHFFFAOYSA-N 1 3 354.450 2.532 20 0 FFADHO CC(C)[C@H]1C[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000376865873 513022379 /nfs/dbraw/zinc/02/23/79/513022379.db2.gz CCKFYABXSNHWFG-FXAWDEMLSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000370710437 513065484 /nfs/dbraw/zinc/06/54/84/513065484.db2.gz UAPYGRPVSMPFDP-YLJYHZDGSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000370710437 513065488 /nfs/dbraw/zinc/06/54/88/513065488.db2.gz UAPYGRPVSMPFDP-YLJYHZDGSA-N 1 3 357.542 2.858 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)(N2CCCCC2)CC1 ZINC000370738039 513078640 /nfs/dbraw/zinc/07/86/40/513078640.db2.gz HGWWPPZBESTYIC-HZPDHXFCSA-N 1 3 363.468 2.636 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372880214 513087186 /nfs/dbraw/zinc/08/71/86/513087186.db2.gz IJUQKDVFLYISKC-MOPGFXCFSA-N 1 3 358.530 2.823 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000372880214 513087189 /nfs/dbraw/zinc/08/71/89/513087189.db2.gz IJUQKDVFLYISKC-MOPGFXCFSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1nc2ccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2s1 ZINC000372951973 513113377 /nfs/dbraw/zinc/11/33/77/513113377.db2.gz GTNPNUFXKCGTEO-UHFFFAOYSA-N 1 3 372.538 2.893 20 0 FFADHO CC[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)N1CCc2ccccc2C1 ZINC000445851002 513129054 /nfs/dbraw/zinc/12/90/54/513129054.db2.gz YEMIBQUBRMJNEV-LJQANCHMSA-N 1 3 358.530 2.607 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417647073 513136475 /nfs/dbraw/zinc/13/64/75/513136475.db2.gz DXQOIUUYYIBJKQ-LEWJYISDSA-N 1 3 370.541 2.825 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417654552 513140212 /nfs/dbraw/zinc/14/02/12/513140212.db2.gz RTOJWDDADUFDCD-NRFANRHFSA-N 1 3 366.509 2.822 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428651100 513151813 /nfs/dbraw/zinc/15/18/13/513151813.db2.gz XDTOUPFEWIHWFH-FXAWDEMLSA-N 1 3 370.541 2.996 20 0 FFADHO Cc1ccc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)c(OCCN(C)C)c1 ZINC000415205784 513152475 /nfs/dbraw/zinc/15/24/75/513152475.db2.gz RPGJRHYGBSTZMA-GOSISDBHSA-N 1 3 362.518 2.835 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC([NH3+])CC1 ZINC000417674781 513153592 /nfs/dbraw/zinc/15/35/92/513153592.db2.gz AUGPPJODZBIHLP-IBGZPJMESA-N 1 3 358.530 2.592 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417689734 513163472 /nfs/dbraw/zinc/16/34/72/513163472.db2.gz TZEYPIDUJYAUFK-LPHOPBHVSA-N 1 3 360.546 2.886 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000417730715 513183602 /nfs/dbraw/zinc/18/36/02/513183602.db2.gz DZEDHBNVLBGCPO-XLMAVXFVSA-N 1 3 362.543 2.524 20 0 FFADHO COC[C@H]1CCN(Cc2cc(C[N@@H+]3CC[C@H](COC)C3)ccc2F)C1 ZINC000450427493 513189749 /nfs/dbraw/zinc/18/97/49/513189749.db2.gz FPOYWFZKTNBKAV-ROUUACIJSA-N 1 3 350.478 2.762 20 0 FFADHO COC[C@H]1CCN(Cc2cc(C[N@H+]3CC[C@H](COC)C3)ccc2F)C1 ZINC000450427493 513189755 /nfs/dbraw/zinc/18/97/55/513189755.db2.gz FPOYWFZKTNBKAV-ROUUACIJSA-N 1 3 350.478 2.762 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000417743861 513192177 /nfs/dbraw/zinc/19/21/77/513192177.db2.gz XNXAVDHVCZOZJB-XYJFISCASA-N 1 3 364.559 2.772 20 0 FFADHO [NH3+]CC1(NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1 ZINC000415305448 513196225 /nfs/dbraw/zinc/19/62/25/513196225.db2.gz GUJVTAKRQBPPSH-UHFFFAOYSA-N 1 3 360.502 2.944 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000415311374 513198968 /nfs/dbraw/zinc/19/89/68/513198968.db2.gz DLJDBZIYLZNUKX-UHFFFAOYSA-N 1 3 374.529 2.635 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417795124 513211874 /nfs/dbraw/zinc/21/18/74/513211874.db2.gz NUFILTRJHATUSZ-QUCCMNQESA-N 1 3 358.530 2.813 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417795124 513211882 /nfs/dbraw/zinc/21/18/82/513211882.db2.gz NUFILTRJHATUSZ-QUCCMNQESA-N 1 3 358.530 2.813 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000417849461 513236082 /nfs/dbraw/zinc/23/60/82/513236082.db2.gz WNSDKDAULCGOTL-QUCCMNQESA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000417851933 513239009 /nfs/dbraw/zinc/23/90/09/513239009.db2.gz YZFDZHWCCKCXBC-YZGWKJHDSA-N 1 3 358.530 2.871 20 0 FFADHO CCn1nncc1CNCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000417973396 513310789 /nfs/dbraw/zinc/31/07/89/513310789.db2.gz USRPTQQQAUMSLE-QZTJIDSGSA-N 1 3 371.529 2.597 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417973351 513310903 /nfs/dbraw/zinc/31/09/03/513310903.db2.gz CIQOLBJBTYPEEN-JRGCBEDISA-N 1 3 366.509 2.562 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000417976705 513312452 /nfs/dbraw/zinc/31/24/52/513312452.db2.gz YTUFBLVGFBKQMH-MRXNPFEDSA-N 1 3 367.497 2.817 20 0 FFADHO C[C@H](NC(=O)NCCCNCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417991365 513321591 /nfs/dbraw/zinc/32/15/91/513321591.db2.gz LJXXGDJXUUHFRE-PKOBYXMFSA-N 1 3 373.545 2.514 20 0 FFADHO C[C@H](NC(=O)NCCCNCc1cccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417991365 513321598 /nfs/dbraw/zinc/32/15/98/513321598.db2.gz LJXXGDJXUUHFRE-PKOBYXMFSA-N 1 3 373.545 2.514 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418042675 513351343 /nfs/dbraw/zinc/35/13/43/513351343.db2.gz XSRFSRYDFGAARS-TUFLPTIASA-N 1 3 372.557 2.912 20 0 FFADHO Cc1c[nH+]ccc1NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC000450816736 513354569 /nfs/dbraw/zinc/35/45/69/513354569.db2.gz WTQCCKBPRZWUKO-UHFFFAOYSA-N 1 3 366.509 2.595 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434647963 513379826 /nfs/dbraw/zinc/37/98/26/513379826.db2.gz WRVOVFYHFBUNNC-HDICACEKSA-N 1 3 359.514 2.997 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)C1CC1 ZINC000418131448 513383227 /nfs/dbraw/zinc/38/32/27/513383227.db2.gz DFNQYRLLLJFYPA-DBXWQHBBSA-N 1 3 372.557 2.961 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000440720665 513392404 /nfs/dbraw/zinc/39/24/04/513392404.db2.gz XYKFWVOCHSNBMW-IMFGXOCKSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]([NH3+])CCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415803964 513429135 /nfs/dbraw/zinc/42/91/35/513429135.db2.gz KHJMMRBTVKHIOY-GFCCVEGCSA-N 1 3 354.882 2.672 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])N(C)C)cc1 ZINC000418227232 513430299 /nfs/dbraw/zinc/43/02/99/513430299.db2.gz CAJYGVJTXRVVBD-LESCRADOSA-N 1 3 364.559 2.780 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418233915 513433555 /nfs/dbraw/zinc/43/35/55/513433555.db2.gz HSUCMWZUCSISKD-OALUTQOASA-N 1 3 350.551 2.671 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418235369 513435691 /nfs/dbraw/zinc/43/56/91/513435691.db2.gz SGVRWZAXSLXMJV-MAUKXSAKSA-N 1 3 364.559 2.700 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000418238100 513437079 /nfs/dbraw/zinc/43/70/79/513437079.db2.gz WVZZFCAMIHCXRE-QAPCUYQASA-N 1 3 364.559 2.652 20 0 FFADHO COC1([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000421824250 513446276 /nfs/dbraw/zinc/44/62/76/513446276.db2.gz HSOXDOUNGSAKAB-IBGZPJMESA-N 1 3 360.546 2.921 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418280637 513449587 /nfs/dbraw/zinc/44/95/87/513449587.db2.gz BISJRWIPVDIHSK-UHFFFAOYSA-N 1 3 352.548 2.873 20 0 FFADHO COC1([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCCC1 ZINC000421845494 513451572 /nfs/dbraw/zinc/45/15/72/513451572.db2.gz QKVKPZJIHDTOCQ-GOSISDBHSA-N 1 3 373.541 2.950 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000418336989 513470864 /nfs/dbraw/zinc/47/08/64/513470864.db2.gz IPZDFIHAAOPYLA-RDJZCZTQSA-N 1 3 366.937 2.801 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)N2CCC(OC)CC2)c1 ZINC000415909035 513473672 /nfs/dbraw/zinc/47/36/72/513473672.db2.gz RKTVLXCHIWVYIC-UHFFFAOYSA-N 1 3 362.518 2.807 20 0 FFADHO CCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418351382 513477640 /nfs/dbraw/zinc/47/76/40/513477640.db2.gz ZRCHWRGWOWFIMZ-CMKODMSKSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)o1 ZINC000418355031 513480096 /nfs/dbraw/zinc/48/00/96/513480096.db2.gz FKVZPUREWNTNBS-SFHVURJKSA-N 1 3 350.507 2.569 20 0 FFADHO CCCN(C(=O)NC[C@H](C)C[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418385798 513491426 /nfs/dbraw/zinc/49/14/26/513491426.db2.gz KUCIBGYOTFUXJU-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCc2cccc(OCCN(C)C)c2)cc1 ZINC000415971824 513507932 /nfs/dbraw/zinc/50/79/32/513507932.db2.gz LCZWPTXFOGYUAJ-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000415995340 513526114 /nfs/dbraw/zinc/52/61/14/513526114.db2.gz KHDGUZKIWLRTOH-UHFFFAOYSA-N 1 3 354.454 2.552 20 0 FFADHO COc1ccccc1-n1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000430008064 513526462 /nfs/dbraw/zinc/52/64/62/513526462.db2.gz SLBOKIRBJLCOGH-HDICACEKSA-N 1 3 372.513 2.860 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000415994914 513526977 /nfs/dbraw/zinc/52/69/77/513526977.db2.gz JGVZEYBRJUUVQZ-HNAYVOBHSA-N 1 3 360.502 2.548 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000415994914 513526989 /nfs/dbraw/zinc/52/69/89/513526989.db2.gz JGVZEYBRJUUVQZ-HNAYVOBHSA-N 1 3 360.502 2.548 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418523716 513542737 /nfs/dbraw/zinc/54/27/37/513542737.db2.gz VOOAWFQMAOEPMQ-MRXNPFEDSA-N 1 3 352.910 2.632 20 0 FFADHO CCN(C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418537099 513547158 /nfs/dbraw/zinc/54/71/58/513547158.db2.gz IBNXDJMOVXLLST-YLJYHZDGSA-N 1 3 356.514 2.773 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418564537 513559764 /nfs/dbraw/zinc/55/97/64/513559764.db2.gz WXMZOJDKVGJQAT-SYYKKAFVSA-N 1 3 370.541 2.682 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418593446 513569683 /nfs/dbraw/zinc/56/96/83/513569683.db2.gz RXAUYICSWKJVBU-CQSZACIVSA-N 1 3 374.451 2.777 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418622314 513579608 /nfs/dbraw/zinc/57/96/08/513579608.db2.gz NDSNQJUZYGYSSS-LFGUQSLTSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]1CCN(C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418640965 513587519 /nfs/dbraw/zinc/58/75/19/513587519.db2.gz NHBZEJQJLOJHDR-SFHVURJKSA-N 1 3 356.514 2.602 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416134720 513589883 /nfs/dbraw/zinc/58/98/83/513589883.db2.gz PENFDUJYJZEAOF-SFTDATJTSA-N 1 3 353.510 2.969 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418647280 513590633 /nfs/dbraw/zinc/59/06/33/513590633.db2.gz GPSFEDQINJPTCA-UYAOXDASSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430245131 513596658 /nfs/dbraw/zinc/59/66/58/513596658.db2.gz ZYAKNDVHJUURPR-GHTZIAJQSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430245131 513596663 /nfs/dbraw/zinc/59/66/63/513596663.db2.gz ZYAKNDVHJUURPR-GHTZIAJQSA-N 1 3 358.530 2.777 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418690900 513613899 /nfs/dbraw/zinc/61/38/99/513613899.db2.gz HKWVPYMYGSPDCW-IEBWSBKVSA-N 1 3 361.534 2.595 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418709088 513619059 /nfs/dbraw/zinc/61/90/59/513619059.db2.gz CUQWQXQTUQHWSO-UXHICEINSA-N 1 3 360.546 2.710 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1)CC1CC1 ZINC000418776320 513652875 /nfs/dbraw/zinc/65/28/75/513652875.db2.gz WZPWGTHICLZWFU-QGZVFWFLSA-N 1 3 372.504 2.527 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1)CC1CC1 ZINC000418776320 513652879 /nfs/dbraw/zinc/65/28/79/513652879.db2.gz WZPWGTHICLZWFU-QGZVFWFLSA-N 1 3 372.504 2.527 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418801065 513662603 /nfs/dbraw/zinc/66/26/03/513662603.db2.gz VDZHSERPMXOLOA-GBESFXJTSA-N 1 3 350.551 2.672 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000448036400 513663151 /nfs/dbraw/zinc/66/31/51/513663151.db2.gz XXXABSSBXOPUBG-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000448036400 513663153 /nfs/dbraw/zinc/66/31/53/513663153.db2.gz XXXABSSBXOPUBG-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)[C@@H]2C1 ZINC000425644857 513676306 /nfs/dbraw/zinc/67/63/06/513676306.db2.gz NKTHIDTVTHVASR-YESZJQIVSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)[C@@H]2C1 ZINC000425644857 513676317 /nfs/dbraw/zinc/67/63/17/513676317.db2.gz NKTHIDTVTHVASR-YESZJQIVSA-N 1 3 362.543 2.621 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430576842 513693356 /nfs/dbraw/zinc/69/33/56/513693356.db2.gz YIFKIOOXLXTCTB-QAPCUYQASA-N 1 3 369.513 2.877 20 0 FFADHO Cc1ccc(CCC2CCN(C(=O)CN3CCC(C[NH3+])CC3)CC2)cc1 ZINC000430612536 513702977 /nfs/dbraw/zinc/70/29/77/513702977.db2.gz RPKACQSJBAAASF-UHFFFAOYSA-N 1 3 357.542 2.837 20 0 FFADHO N[C@@H](CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000448239126 513715761 /nfs/dbraw/zinc/71/57/61/513715761.db2.gz IJOMPKJSOIXNNG-NRFANRHFSA-N 1 3 367.493 2.868 20 0 FFADHO NC[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000430700337 513726707 /nfs/dbraw/zinc/72/67/07/513726707.db2.gz RXIMGYYASMRZHT-OAQYLSRUSA-N 1 3 367.493 2.520 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@H](C)[C@H](N)c3ccccc3)CCCC2)CC1 ZINC000430703442 513728445 /nfs/dbraw/zinc/72/84/45/513728445.db2.gz FJIZIEUURKVGFR-XLIONFOSSA-N 1 3 373.541 2.862 20 0 FFADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765054 513773130 /nfs/dbraw/zinc/77/31/30/513773130.db2.gz UPGWYSPQRXLNBW-ZWKOTPCHSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765054 513773142 /nfs/dbraw/zinc/77/31/42/513773142.db2.gz UPGWYSPQRXLNBW-ZWKOTPCHSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765054 513773150 /nfs/dbraw/zinc/77/31/50/513773150.db2.gz UPGWYSPQRXLNBW-ZWKOTPCHSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765052 513773298 /nfs/dbraw/zinc/77/32/98/513773298.db2.gz UPGWYSPQRXLNBW-ROUUACIJSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765052 513773306 /nfs/dbraw/zinc/77/33/06/513773306.db2.gz UPGWYSPQRXLNBW-ROUUACIJSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765052 513773314 /nfs/dbraw/zinc/77/33/14/513773314.db2.gz UPGWYSPQRXLNBW-ROUUACIJSA-N 1 3 351.494 2.951 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000425940974 513803722 /nfs/dbraw/zinc/80/37/22/513803722.db2.gz CKWBDHCKCZYIMP-CVEARBPZSA-N 1 3 355.548 2.565 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000431038057 513811985 /nfs/dbraw/zinc/81/19/85/513811985.db2.gz RCKFWNZFVUASJQ-OAQYLSRUSA-N 1 3 351.494 2.757 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000436287718 513817435 /nfs/dbraw/zinc/81/74/35/513817435.db2.gz JVJUIHOWWVZECD-GPQLOAJWSA-N 1 3 367.493 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000436287718 513817440 /nfs/dbraw/zinc/81/74/40/513817440.db2.gz JVJUIHOWWVZECD-GPQLOAJWSA-N 1 3 367.493 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000436287718 513817445 /nfs/dbraw/zinc/81/74/45/513817445.db2.gz JVJUIHOWWVZECD-GPQLOAJWSA-N 1 3 367.493 2.810 20 0 FFADHO CN(C)[C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000442957607 513827706 /nfs/dbraw/zinc/82/77/06/513827706.db2.gz UDILHYACCKKOBP-KCZVDYSFSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)[C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000442957607 513827711 /nfs/dbraw/zinc/82/77/11/513827711.db2.gz UDILHYACCKKOBP-KCZVDYSFSA-N 1 3 355.526 2.841 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000443056511 513855472 /nfs/dbraw/zinc/85/54/72/513855472.db2.gz CTANYIWWCBAVJB-CJNGLKHVSA-N 1 3 355.404 2.872 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443059766 513857646 /nfs/dbraw/zinc/85/76/46/513857646.db2.gz DEHAJESOVGTBKS-HCOVKFPFSA-N 1 3 367.537 2.888 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443059766 513857654 /nfs/dbraw/zinc/85/76/54/513857654.db2.gz DEHAJESOVGTBKS-HCOVKFPFSA-N 1 3 367.537 2.888 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1ccc(NCc2cnccc2N(C)C)cc1 ZINC000419740642 513901574 /nfs/dbraw/zinc/90/15/74/513901574.db2.gz LCGKNTCVFLOBMP-UHFFFAOYSA-N 1 3 369.513 2.831 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422729354 513915610 /nfs/dbraw/zinc/91/56/10/513915610.db2.gz KPBAMOPTHXMWHC-UWWPHRKUSA-N 1 3 373.419 2.506 20 0 FFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422771692 513926473 /nfs/dbraw/zinc/92/64/73/513926473.db2.gz YFTIYUQGKGVYPF-LWYYNNOASA-N 1 3 361.505 2.850 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000419796003 513931010 /nfs/dbraw/zinc/93/10/10/513931010.db2.gz PAOSLXUBMSSUFV-QGZVFWFLSA-N 1 3 364.965 2.913 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000419796003 513931016 /nfs/dbraw/zinc/93/10/16/513931016.db2.gz PAOSLXUBMSSUFV-QGZVFWFLSA-N 1 3 364.965 2.913 20 0 FFADHO CC[C@@H](CC(F)(F)F)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000448853872 513934665 /nfs/dbraw/zinc/93/46/65/513934665.db2.gz RDUYXBVBHIWWPX-LSDHHAIUSA-N 1 3 351.457 2.840 20 0 FFADHO CC[C@@H](CC(F)(F)F)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000448853872 513934673 /nfs/dbraw/zinc/93/46/73/513934673.db2.gz RDUYXBVBHIWWPX-LSDHHAIUSA-N 1 3 351.457 2.840 20 0 FFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1cccc(Br)c1 ZINC000422800022 513936288 /nfs/dbraw/zinc/93/62/88/513936288.db2.gz ZDIBZJIUAKNCCL-GUYJKWIASA-N 1 3 357.292 2.558 20 0 FFADHO c1ccc2c(c1)CCN(CCN[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422799870 513936460 /nfs/dbraw/zinc/93/64/60/513936460.db2.gz ADRFNMHQZNRBTA-GGAORHGYSA-N 1 3 363.505 2.890 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422857991 513954821 /nfs/dbraw/zinc/95/48/21/513954821.db2.gz ZCTYZDSKXGVGEZ-VBQJREDUSA-N 1 3 359.436 2.794 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422856835 513955417 /nfs/dbraw/zinc/95/54/17/513955417.db2.gz GRQCVQHNZWSDIZ-SXWKCWPCSA-N 1 3 366.553 2.745 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000431647507 513956092 /nfs/dbraw/zinc/95/60/92/513956092.db2.gz DFWBFSMQUDIZKH-SFHVURJKSA-N 1 3 352.567 2.918 20 0 FFADHO FC(F)(F)Oc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422890508 513965913 /nfs/dbraw/zinc/96/59/13/513965913.db2.gz IJVDBWOEISDMPF-IXDOHACOSA-N 1 3 358.404 2.874 20 0 FFADHO COc1cc(OC)c(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(OC)c1 ZINC000422890105 513966708 /nfs/dbraw/zinc/96/67/08/513966708.db2.gz REMRLWVBOZRBGJ-BEFAXECRSA-N 1 3 358.482 2.803 20 0 FFADHO FC(F)(F)Oc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422890506 513966821 /nfs/dbraw/zinc/96/68/21/513966821.db2.gz IJVDBWOEISDMPF-BRWVUGGUSA-N 1 3 358.404 2.874 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000431684499 513967471 /nfs/dbraw/zinc/96/74/71/513967471.db2.gz FZUCKNZXYGMKHU-YQVWRLOYSA-N 1 3 370.607 2.624 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000416789140 513969369 /nfs/dbraw/zinc/96/93/69/513969369.db2.gz RSOVXSJGGCFDCB-BJLQDIEVSA-N 1 3 358.530 2.888 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000416796234 513969722 /nfs/dbraw/zinc/96/97/22/513969722.db2.gz WEMDIGWAUIOMKZ-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCOc3c(CC)cccc32)CC[NH2+]CC1 ZINC000422943429 513984910 /nfs/dbraw/zinc/98/49/10/513984910.db2.gz KGVDFDIFLORORI-CRAIPNDOSA-N 1 3 360.498 2.984 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cnccc1N ZINC000422945785 513986168 /nfs/dbraw/zinc/98/61/68/513986168.db2.gz NWNGGLIQFDHZHO-GOSISDBHSA-N 1 3 353.514 2.747 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416836657 513991461 /nfs/dbraw/zinc/99/14/61/513991461.db2.gz GWIXOIWPAIOUJM-TZIWHRDSSA-N 1 3 366.509 2.823 20 0 FFADHO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)ncn1 ZINC000422985636 513998753 /nfs/dbraw/zinc/99/87/53/513998753.db2.gz FPAGJGWVACXMAP-QAPCUYQASA-N 1 3 354.502 2.521 20 0 FFADHO CN1CCC(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)(N2CCOCC2)CC1 ZINC000414182276 514000449 /nfs/dbraw/zinc/00/04/49/514000449.db2.gz DAHZUPOFLBZJCP-FQEVSTJZSA-N 1 3 361.505 2.663 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422993151 514001467 /nfs/dbraw/zinc/00/14/67/514001467.db2.gz SLNIOAZQADXZRQ-ZOBUZTSGSA-N 1 3 360.420 2.843 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422993145 514001794 /nfs/dbraw/zinc/00/17/94/514001794.db2.gz SLNIOAZQADXZRQ-HLLBOEOZSA-N 1 3 360.420 2.843 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000423023450 514010645 /nfs/dbraw/zinc/01/06/45/514010645.db2.gz HLBVIEMEFDOCPK-QAPCUYQASA-N 1 3 354.502 2.557 20 0 FFADHO CN1CCC(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)(N2CCOCC2)CC1 ZINC000414207669 514012171 /nfs/dbraw/zinc/01/21/71/514012171.db2.gz ZSMFJDITHIIDIP-SFTDATJTSA-N 1 3 371.569 2.955 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCCOc3cc(F)ccc32)CC[NH2+]CC1 ZINC000423040332 514015053 /nfs/dbraw/zinc/01/50/53/514015053.db2.gz GVAJBOHLKBTWJC-RHSMWYFYSA-N 1 3 364.461 2.950 20 0 FFADHO CN(C)[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000431859393 514022505 /nfs/dbraw/zinc/02/25/05/514022505.db2.gz FVJTXIGXVNVCLU-NJDAHSKKSA-N 1 3 373.541 2.564 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1cccc(Br)c1 ZINC000423070308 514026697 /nfs/dbraw/zinc/02/66/97/514026697.db2.gz CNJWWQYUCRHWQR-FRFSOERESA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423070308 514026705 /nfs/dbraw/zinc/02/67/05/514026705.db2.gz CNJWWQYUCRHWQR-FRFSOERESA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000423070313 514026839 /nfs/dbraw/zinc/02/68/39/514026839.db2.gz CNJWWQYUCRHWQR-UKPHBRMFSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423070313 514026844 /nfs/dbraw/zinc/02/68/44/514026844.db2.gz CNJWWQYUCRHWQR-UKPHBRMFSA-N 1 3 355.320 2.578 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000423074867 514029301 /nfs/dbraw/zinc/02/93/01/514029301.db2.gz MYCAFVYVNWCJJS-UAGQMJEPSA-N 1 3 355.320 2.850 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000423076690 514031144 /nfs/dbraw/zinc/03/11/44/514031144.db2.gz RRSHSOLWPIHDKG-UNEWFSDZSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423076690 514031151 /nfs/dbraw/zinc/03/11/51/514031151.db2.gz RRSHSOLWPIHDKG-UNEWFSDZSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414284136 514032051 /nfs/dbraw/zinc/03/20/51/514032051.db2.gz KDLGGEAPMIDLBA-CQSZACIVSA-N 1 3 373.950 2.589 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414284136 514032058 /nfs/dbraw/zinc/03/20/58/514032058.db2.gz KDLGGEAPMIDLBA-CQSZACIVSA-N 1 3 373.950 2.589 20 0 FFADHO CCc1ncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000414288276 514033778 /nfs/dbraw/zinc/03/37/78/514033778.db2.gz LHDWDIONDLHJRB-UHFFFAOYSA-N 1 3 367.541 2.727 20 0 FFADHO [NH3+]CC1CCC(N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000423088272 514035153 /nfs/dbraw/zinc/03/51/53/514035153.db2.gz PQQDKQMOQOYXKD-LDZOIKDWSA-N 1 3 366.303 2.662 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414298790 514037058 /nfs/dbraw/zinc/03/70/58/514037058.db2.gz ZNFJFYFQWVLTFC-CQSZACIVSA-N 1 3 373.950 2.732 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414298790 514037062 /nfs/dbraw/zinc/03/70/62/514037062.db2.gz ZNFJFYFQWVLTFC-CQSZACIVSA-N 1 3 373.950 2.732 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000414304442 514040242 /nfs/dbraw/zinc/04/02/42/514040242.db2.gz MJNJMNDIWLGAOG-YZGWKJHDSA-N 1 3 374.525 2.581 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423101373 514042771 /nfs/dbraw/zinc/04/27/71/514042771.db2.gz CUJVCSOWIYDPTQ-CAEXGNQWSA-N 1 3 365.547 2.574 20 0 FFADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000414320078 514045705 /nfs/dbraw/zinc/04/57/05/514045705.db2.gz BAMMHDNUVHXMNT-RTWAWAEBSA-N 1 3 373.541 2.677 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423112576 514048053 /nfs/dbraw/zinc/04/80/53/514048053.db2.gz SAHVYGHUHALAPU-GUDVDZBRSA-N 1 3 355.482 2.573 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423112576 514048058 /nfs/dbraw/zinc/04/80/58/514048058.db2.gz SAHVYGHUHALAPU-GUDVDZBRSA-N 1 3 355.482 2.573 20 0 FFADHO Cc1ccncc1[C@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335153 514053881 /nfs/dbraw/zinc/05/38/81/514053881.db2.gz XYMMVICWJRQXLA-KRWDZBQOSA-N 1 3 366.509 2.938 20 0 FFADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336559 514055394 /nfs/dbraw/zinc/05/53/94/514055394.db2.gz IHSNQUAUFGWNKV-TZIWHRDSSA-N 1 3 373.541 2.679 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150774 514061280 /nfs/dbraw/zinc/06/12/80/514061280.db2.gz CGYVWUAWKYZYFG-SUYBPPKGSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150774 514061286 /nfs/dbraw/zinc/06/12/86/514061286.db2.gz CGYVWUAWKYZYFG-SUYBPPKGSA-N 1 3 373.310 2.717 20 0 FFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(Br)ccc1F ZINC000423161405 514064301 /nfs/dbraw/zinc/06/43/01/514064301.db2.gz NTDDUHFCIUGMDD-YGOACVGDSA-N 1 3 371.294 2.612 20 0 FFADHO C[C@](C[NH3+])(NCCC(=O)NC(c1ccccc1)c1ccccc1)C1CC1 ZINC000420293519 514076149 /nfs/dbraw/zinc/07/61/49/514076149.db2.gz RFBUVKORKYBCSV-JOCHJYFZSA-N 1 3 351.494 2.999 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000416971407 514077089 /nfs/dbraw/zinc/07/70/89/514077089.db2.gz GTKPWKHTYNILHZ-YLJYHZDGSA-N 1 3 358.530 2.776 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3C[C@H](C)NC[C@H]3C)cc2)C1 ZINC000416973353 514078953 /nfs/dbraw/zinc/07/89/53/514078953.db2.gz UWNBSJPIBYSDEJ-FGTMMUONSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3C[C@H](C)NC[C@H]3C)cc2)C1 ZINC000416973353 514078957 /nfs/dbraw/zinc/07/89/57/514078957.db2.gz UWNBSJPIBYSDEJ-FGTMMUONSA-N 1 3 358.530 2.810 20 0 FFADHO Clc1ccc(OCCN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420301491 514080547 /nfs/dbraw/zinc/08/05/47/514080547.db2.gz LHILTCXUNBEHBA-QGZVFWFLSA-N 1 3 351.922 2.726 20 0 FFADHO CCc1ccc([C@@H]2CNCCN2C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420310202 514083687 /nfs/dbraw/zinc/08/36/87/514083687.db2.gz FWUOUYSHNUSGLQ-UNMCSNQZSA-N 1 3 353.510 2.946 20 0 FFADHO O=C1[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000420344197 514101856 /nfs/dbraw/zinc/10/18/56/514101856.db2.gz SQEBCKCHIPNYAS-IIYDPXPESA-N 1 3 351.853 2.516 20 0 FFADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cc2ccccc2o1 ZINC000420343854 514102849 /nfs/dbraw/zinc/10/28/49/514102849.db2.gz RVFAONUMSGBFRP-UOVPBQLFSA-N 1 3 355.482 2.930 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000417004572 514109767 /nfs/dbraw/zinc/10/97/67/514109767.db2.gz CREFKXVHJZFSBU-DBXWQHBBSA-N 1 3 372.557 2.888 20 0 FFADHO C[C@@H](CCc1ccc(I)cc1)NC[C@H]([NH3+])C1CC1 ZINC000423325670 514110935 /nfs/dbraw/zinc/11/09/35/514110935.db2.gz QMLCHIAXKJXAAJ-NHYWBVRUSA-N 1 3 358.267 2.939 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000423361385 514116364 /nfs/dbraw/zinc/11/63/64/514116364.db2.gz RXBWQYMBLFNNIX-SFHVURJKSA-N 1 3 360.502 2.813 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420382735 514119123 /nfs/dbraw/zinc/11/91/23/514119123.db2.gz DBPWADVTAUARHR-VQTJNVASSA-N 1 3 368.529 2.974 20 0 FFADHO CC1(C)[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000423382410 514122979 /nfs/dbraw/zinc/12/29/79/514122979.db2.gz IMWFAIGERUPFTN-GVDBMIGSSA-N 1 3 355.448 2.994 20 0 FFADHO FC(F)(F)[C@H](CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000423381780 514123099 /nfs/dbraw/zinc/12/30/99/514123099.db2.gz IJALCZUKGJGICD-SZMVWBNQSA-N 1 3 371.447 2.580 20 0 FFADHO C[C@@H](Cc1coc2ccccc12)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423382045 514123529 /nfs/dbraw/zinc/12/35/29/514123529.db2.gz GCJZYCKPLRIRGA-GUYCJALGSA-N 1 3 355.404 2.790 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423388345 514125604 /nfs/dbraw/zinc/12/56/04/514125604.db2.gz NKRBZMUGJWPNJQ-XIRDDKMYSA-N 1 3 353.532 2.638 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423394344 514128265 /nfs/dbraw/zinc/12/82/65/514128265.db2.gz RHRDULSTXKQDBV-AWEZNQCLSA-N 1 3 367.449 2.583 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)CNC3)c1 ZINC000423394344 514128273 /nfs/dbraw/zinc/12/82/73/514128273.db2.gz RHRDULSTXKQDBV-AWEZNQCLSA-N 1 3 367.449 2.583 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000417031066 514131244 /nfs/dbraw/zinc/13/12/44/514131244.db2.gz QGPAZGPQMWIAHN-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000427180238 514141949 /nfs/dbraw/zinc/14/19/49/514141949.db2.gz VJSVRDFYMCXGKV-PMACEKPBSA-N 1 3 365.562 2.600 20 0 FFADHO C[NH+]1CCC(CNCc2cccc(Cl)c2Cl)(N2CCOCC2)CC1 ZINC000414479691 514143515 /nfs/dbraw/zinc/14/35/15/514143515.db2.gz HXFMQOOWSXPMEV-UHFFFAOYSA-N 1 3 372.340 2.880 20 0 FFADHO CN1CCO[C@H]([C@@H](NCCC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000423478320 514149585 /nfs/dbraw/zinc/14/95/85/514149585.db2.gz LBELNOAHPBHJCL-QYZOEREBSA-N 1 3 351.922 2.834 20 0 FFADHO Brc1ccccc1C[C@H]([NH2+]C[C@@H]1CNCCCO1)C1CC1 ZINC000423492477 514151459 /nfs/dbraw/zinc/15/14/59/514151459.db2.gz NFMFWMMIKURMEE-RDJZCZTQSA-N 1 3 353.304 2.738 20 0 FFADHO Brc1ccccc1C[C@H](NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492477 514151467 /nfs/dbraw/zinc/15/14/67/514151467.db2.gz NFMFWMMIKURMEE-RDJZCZTQSA-N 1 3 353.304 2.738 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000449311054 514157311 /nfs/dbraw/zinc/15/73/11/514157311.db2.gz IYXSBKUQMIWFRF-JRGCBEDISA-N 1 3 362.558 2.830 20 0 FFADHO C[C@@H](NC1CCC([NH+]2CCNCC2)CC1)c1ncc(Br)s1 ZINC000423521808 514160985 /nfs/dbraw/zinc/16/09/85/514160985.db2.gz UADDSKRRBUSHBS-PNESKVBLSA-N 1 3 373.364 2.773 20 0 FFADHO C[C@@H](NC1CCC(N2CC[NH2+]CC2)CC1)c1ncc(Br)s1 ZINC000423521808 514160993 /nfs/dbraw/zinc/16/09/93/514160993.db2.gz UADDSKRRBUSHBS-PNESKVBLSA-N 1 3 373.364 2.773 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000417087439 514161381 /nfs/dbraw/zinc/16/13/81/514161381.db2.gz HGHXMDMCRRFCMB-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423532332 514164501 /nfs/dbraw/zinc/16/45/01/514164501.db2.gz VGGJOLPPDZZZAW-PQJKGVAHSA-N 1 3 367.335 2.777 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccc4c(c3)OCCCCO4)CC2)CC1 ZINC000449326332 514168684 /nfs/dbraw/zinc/16/86/84/514168684.db2.gz UTBFSTNSVIVAJF-UHFFFAOYSA-N 1 3 373.541 2.697 20 0 FFADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417108112 514171753 /nfs/dbraw/zinc/17/17/53/514171753.db2.gz JCZIEDHVAUQLQV-BMHONFFRSA-N 1 3 356.514 2.575 20 0 FFADHO O=C(C[NH2+]C1CCC(OC2CCCC2)CC1)NCCN1CCCCCC1 ZINC000449341924 514173210 /nfs/dbraw/zinc/17/32/10/514173210.db2.gz XLYHRHQOFBJECC-UHFFFAOYSA-N 1 3 365.562 2.839 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000417117094 514175940 /nfs/dbraw/zinc/17/59/40/514175940.db2.gz QACMTPPBAPZMPK-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000449352044 514178132 /nfs/dbraw/zinc/17/81/32/514178132.db2.gz RXVKBXHXKCDEBL-PGRDOPGGSA-N 1 3 351.494 2.554 20 0 FFADHO NC[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000423785848 514227897 /nfs/dbraw/zinc/22/78/97/514227897.db2.gz AIWRXERABXBMTQ-HXUWFJFHSA-N 1 3 361.505 2.983 20 0 FFADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423791109 514229623 /nfs/dbraw/zinc/22/96/23/514229623.db2.gz GSRSDUJABZGIAJ-ZCNNSNEGSA-N 1 3 358.530 2.660 20 0 FFADHO COc1ccc(CCC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414672325 514235983 /nfs/dbraw/zinc/23/59/83/514235983.db2.gz HEQYXUSYPINNHQ-HXUWFJFHSA-N 1 3 373.541 2.537 20 0 FFADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414675211 514236915 /nfs/dbraw/zinc/23/69/15/514236915.db2.gz LSIIXXXBQJWRBR-KGLIPLIRSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414675211 514236923 /nfs/dbraw/zinc/23/69/23/514236923.db2.gz LSIIXXXBQJWRBR-KGLIPLIRSA-N 1 3 357.420 2.896 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000414681665 514241125 /nfs/dbraw/zinc/24/11/25/514241125.db2.gz WIINKJNGWQAQAA-CQSZACIVSA-N 1 3 369.431 2.867 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000414681665 514241131 /nfs/dbraw/zinc/24/11/31/514241131.db2.gz WIINKJNGWQAQAA-CQSZACIVSA-N 1 3 369.431 2.867 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)C1 ZINC000414702215 514248795 /nfs/dbraw/zinc/24/87/95/514248795.db2.gz HTTGXQBVDPELBH-OAHLLOKOSA-N 1 3 365.468 2.911 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417244578 514256925 /nfs/dbraw/zinc/25/69/25/514256925.db2.gz XKJIUDKHVQCVMZ-OXQOHEQNSA-N 1 3 354.498 2.871 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417244578 514256930 /nfs/dbraw/zinc/25/69/30/514256930.db2.gz XKJIUDKHVQCVMZ-OXQOHEQNSA-N 1 3 354.498 2.871 20 0 FFADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000414732495 514262230 /nfs/dbraw/zinc/26/22/30/514262230.db2.gz BUPYHWLHQMYZJD-UYAOXDASSA-N 1 3 363.521 2.912 20 0 FFADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000414732495 514262237 /nfs/dbraw/zinc/26/22/37/514262237.db2.gz BUPYHWLHQMYZJD-UYAOXDASSA-N 1 3 363.521 2.912 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCC(C)CC1 ZINC000417316715 514291962 /nfs/dbraw/zinc/29/19/62/514291962.db2.gz URYKZJDOCVATDT-SJLPKXTDSA-N 1 3 350.551 2.526 20 0 FFADHO Cc1ccc(-n2cc(CNCCCN3CC[NH2+]CC3)c(C(C)(C)C)n2)cc1 ZINC000414787539 514293693 /nfs/dbraw/zinc/29/36/93/514293693.db2.gz YXQOXNHNTWPETK-UHFFFAOYSA-N 1 3 369.557 2.863 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000417321827 514294780 /nfs/dbraw/zinc/29/47/80/514294780.db2.gz UJWUPWVLKHUHES-ICSRJNTNSA-N 1 3 358.530 2.730 20 0 FFADHO [NH3+]C[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)CC12CCOCC2 ZINC000414789282 514295518 /nfs/dbraw/zinc/29/55/18/514295518.db2.gz YIUJYWNFKKTREU-HNNXBMFYSA-N 1 3 358.404 2.815 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000417356841 514309811 /nfs/dbraw/zinc/30/98/11/514309811.db2.gz QGRPFRYKJZKFMV-VQTJNVASSA-N 1 3 358.530 2.963 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423984812 514322596 /nfs/dbraw/zinc/32/25/96/514322596.db2.gz WOQJXHWMSBDPPQ-LEWJYISDSA-N 1 3 355.526 2.889 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000414887537 514342999 /nfs/dbraw/zinc/34/29/99/514342999.db2.gz QPPDDSDEWLWFAK-VQTJNVASSA-N 1 3 368.481 2.504 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000438427079 514377491 /nfs/dbraw/zinc/37/74/91/514377491.db2.gz MTSKGWBQCYDKGP-ACRUOGEOSA-N 1 3 372.557 2.990 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000438427079 514377499 /nfs/dbraw/zinc/37/74/99/514377499.db2.gz MTSKGWBQCYDKGP-ACRUOGEOSA-N 1 3 372.557 2.990 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420928499 514381303 /nfs/dbraw/zinc/38/13/03/514381303.db2.gz ANRDYFOPYZOXPH-ZRNYENFQSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420928499 514381308 /nfs/dbraw/zinc/38/13/08/514381308.db2.gz ANRDYFOPYZOXPH-ZRNYENFQSA-N 1 3 360.542 2.587 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(Cl)cc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000414984311 514386626 /nfs/dbraw/zinc/38/66/26/514386626.db2.gz GDAOTAVVFAXWIW-WBVHZDCISA-N 1 3 356.297 2.730 20 0 FFADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCN1C1CCCC1 ZINC000438555473 514402555 /nfs/dbraw/zinc/40/25/55/514402555.db2.gz RHJIDWJCFGRHMT-IBGZPJMESA-N 1 3 363.546 2.545 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N(C)Cc1ccccc1 ZINC000417575336 514415347 /nfs/dbraw/zinc/41/53/47/514415347.db2.gz FOTLIPWCICAVFO-YLJYHZDGSA-N 1 3 372.557 2.927 20 0 FFADHO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214503 514418923 /nfs/dbraw/zinc/41/89/23/514418923.db2.gz CTNRZPZMVXOCJE-NXNFSMPISA-N 1 3 353.510 2.640 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)Nc3ccccc3)CC2)CC1 ZINC000420985550 514423240 /nfs/dbraw/zinc/42/32/40/514423240.db2.gz WGQNPUXFXDCYNK-SFHVURJKSA-N 1 3 358.530 2.506 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)Nc3ccccc3)CC2)CC1 ZINC000420985550 514423243 /nfs/dbraw/zinc/42/32/43/514423243.db2.gz WGQNPUXFXDCYNK-SFHVURJKSA-N 1 3 358.530 2.506 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415073196 514428940 /nfs/dbraw/zinc/42/89/40/514428940.db2.gz YBJVTXMNKMFDFK-OAHLLOKOSA-N 1 3 350.532 2.527 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000415082388 514436569 /nfs/dbraw/zinc/43/65/69/514436569.db2.gz LWVUEEDSCOHCPZ-XYEHWOGUSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H](OCCCNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289025 514446576 /nfs/dbraw/zinc/44/65/76/514446576.db2.gz LHCAAJDCTWWPBE-RTBURBONSA-N 1 3 373.541 2.735 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)N(C)[C@@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424300533 514449803 /nfs/dbraw/zinc/44/98/03/514449803.db2.gz WPKQCMAYDWDXPY-FXAWDEMLSA-N 1 3 355.526 2.986 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424319168 514454960 /nfs/dbraw/zinc/45/49/60/514454960.db2.gz RUELOEFWVTXNAQ-OAQYLSRUSA-N 1 3 351.579 2.715 20 0 FFADHO Cn1cnc2cc(CNCC3([NH3+])CCN(Cc4ccccc4)CC3)ccc21 ZINC000415127976 514455561 /nfs/dbraw/zinc/45/55/61/514455561.db2.gz JDDUMSIFYWPERT-UHFFFAOYSA-N 1 3 363.509 2.656 20 0 FFADHO Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cn1 ZINC000424321743 514456811 /nfs/dbraw/zinc/45/68/11/514456811.db2.gz SSYSNRJTHRUHDN-BLCKVISQSA-N 1 3 366.509 2.750 20 0 FFADHO O=C1N[C@@H]2CN(Cc3ccc4ccccc4c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140371 514464670 /nfs/dbraw/zinc/46/46/70/514464670.db2.gz NCSOVHMJZALSIP-RTWAWAEBSA-N 1 3 364.493 2.560 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424379219 514466582 /nfs/dbraw/zinc/46/65/82/514466582.db2.gz OGTMHUPTBPOHQQ-GFCCVEGCSA-N 1 3 360.424 2.634 20 0 FFADHO CCN1CCC(NC(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)CC1 ZINC000439257506 514514848 /nfs/dbraw/zinc/51/48/48/514514848.db2.gz JNNYKURWYIVSBZ-UHFFFAOYSA-N 1 3 366.472 2.777 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433571078 514516498 /nfs/dbraw/zinc/51/64/98/514516498.db2.gz OECNOANWDCMKJG-SJLPKXTDSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433571078 514516506 /nfs/dbraw/zinc/51/65/06/514516506.db2.gz OECNOANWDCMKJG-SJLPKXTDSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433569458 514517353 /nfs/dbraw/zinc/51/73/53/514517353.db2.gz RKUWLHBGPNPVJI-PKOBYXMFSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433569458 514517362 /nfs/dbraw/zinc/51/73/62/514517362.db2.gz RKUWLHBGPNPVJI-PKOBYXMFSA-N 1 3 350.551 2.815 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000465917853 514518970 /nfs/dbraw/zinc/51/89/70/514518970.db2.gz JPYFDASUCKCLMJ-NCXUSEDFSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000465917853 514518980 /nfs/dbraw/zinc/51/89/80/514518980.db2.gz JPYFDASUCKCLMJ-NCXUSEDFSA-N 1 3 352.567 2.869 20 0 FFADHO CCc1ccccc1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465993413 514535156 /nfs/dbraw/zinc/53/51/56/514535156.db2.gz WXSQPFLEPHZIJJ-FQEVSTJZSA-N 1 3 360.546 2.807 20 0 FFADHO CCc1ccccc1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465993413 514535164 /nfs/dbraw/zinc/53/51/64/514535164.db2.gz WXSQPFLEPHZIJJ-FQEVSTJZSA-N 1 3 360.546 2.807 20 0 FFADHO C[C@@H](Cc1cnccn1)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000453074987 514536845 /nfs/dbraw/zinc/53/68/45/514536845.db2.gz KLGBMGSCKBPCSG-IBGZPJMESA-N 1 3 353.514 2.600 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000455463420 514538164 /nfs/dbraw/zinc/53/81/64/514538164.db2.gz YFRGJDUFFMIUHY-QFMLELGNSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000455463420 514538173 /nfs/dbraw/zinc/53/81/73/514538173.db2.gz YFRGJDUFFMIUHY-QFMLELGNSA-N 1 3 356.514 2.574 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000466012338 514540314 /nfs/dbraw/zinc/54/03/14/514540314.db2.gz SBTCRPGKWHGXGA-UHFFFAOYSA-N 1 3 372.557 2.601 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000466148172 514566133 /nfs/dbraw/zinc/56/61/33/514566133.db2.gz ZYDFNLYJZGWPHA-PWIZWCRZSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475142274 514570641 /nfs/dbraw/zinc/57/06/41/514570641.db2.gz BHKPLWRYHRSNHF-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCCC[C@]1(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458127348 514578413 /nfs/dbraw/zinc/57/84/13/514578413.db2.gz MHYJYBKADGRXIP-UZLBHIALSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000466227582 514583683 /nfs/dbraw/zinc/58/36/83/514583683.db2.gz PIUNWRXJEQKWQV-WDSOQIARSA-N 1 3 350.551 2.669 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000466498557 514662851 /nfs/dbraw/zinc/66/28/51/514662851.db2.gz FCOTYXCHTMVZRK-LZLYRXPVSA-N 1 3 350.551 2.669 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000466498557 514662862 /nfs/dbraw/zinc/66/28/62/514662862.db2.gz FCOTYXCHTMVZRK-LZLYRXPVSA-N 1 3 350.551 2.669 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NCC2CC[NH+](C)CC2)CCC1 ZINC000458298157 514696420 /nfs/dbraw/zinc/69/64/20/514696420.db2.gz AJEWQAZMFXXKKO-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO [NH3+]CCCN(CCC(=O)N1CCc2sccc2C1)Cc1ccccc1 ZINC000479786548 514724206 /nfs/dbraw/zinc/72/42/06/514724206.db2.gz UVVJFMXJMOQBTR-UHFFFAOYSA-N 1 3 357.523 2.874 20 0 FFADHO CC[NH+](CC)CCSCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000461891629 514770093 /nfs/dbraw/zinc/77/00/93/514770093.db2.gz WJUATNQPOFVZJL-UHFFFAOYSA-N 1 3 373.632 2.539 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)Cc1ccccc1 ZINC000498165023 514787102 /nfs/dbraw/zinc/78/71/02/514787102.db2.gz HYWQQEPZEFCHCX-QHAWAJNXSA-N 1 3 372.557 2.675 20 0 FFADHO [NH3+][C@@H](CC(F)F)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000498196552 514797553 /nfs/dbraw/zinc/79/75/53/514797553.db2.gz USEHZSZZFATKRP-HNNXBMFYSA-N 1 3 359.848 2.651 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccccc2C)CC1 ZINC000466916724 514825401 /nfs/dbraw/zinc/82/54/01/514825401.db2.gz JYZVRQPNQRFGAF-JOCHJYFZSA-N 1 3 367.537 2.830 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000471372766 514855434 /nfs/dbraw/zinc/85/54/34/514855434.db2.gz IUVLCCMDLDHKBS-NRFANRHFSA-N 1 3 355.526 2.816 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000471372766 514855445 /nfs/dbraw/zinc/85/54/45/514855445.db2.gz IUVLCCMDLDHKBS-NRFANRHFSA-N 1 3 355.526 2.816 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1)N(C)C ZINC000508848088 514918436 /nfs/dbraw/zinc/91/84/36/514918436.db2.gz BMXSZHPLBCVZEK-XLIONFOSSA-N 1 3 360.546 2.969 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000476141114 514928956 /nfs/dbraw/zinc/92/89/56/514928956.db2.gz JBCHYYOGFGQWEC-INIZCTEOSA-N 1 3 374.529 2.617 20 0 FFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(OCC3CC3)cc2)CC1 ZINC000480380818 514937365 /nfs/dbraw/zinc/93/73/65/514937365.db2.gz FMCBJHJKGWYHQO-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000508900441 514946868 /nfs/dbraw/zinc/94/68/68/514946868.db2.gz XOQCHGLAUFPUOM-GGPKGHCWSA-N 1 3 360.546 2.969 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000508900441 514946875 /nfs/dbraw/zinc/94/68/75/514946875.db2.gz XOQCHGLAUFPUOM-GGPKGHCWSA-N 1 3 360.546 2.969 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508908770 514951589 /nfs/dbraw/zinc/95/15/89/514951589.db2.gz TWRWEYUJWDABBN-YLJYHZDGSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467410315 514997822 /nfs/dbraw/zinc/99/78/22/514997822.db2.gz GEMGWBDGVZWXJH-RKVPGOIHSA-N 1 3 351.922 2.995 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000462516131 515099062 /nfs/dbraw/zinc/09/90/62/515099062.db2.gz WNCBGMUSMOKHAR-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000462516131 515099072 /nfs/dbraw/zinc/09/90/72/515099072.db2.gz WNCBGMUSMOKHAR-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+](CC)CC1CCN(CCc2c(C)nc3sccn3c2=O)CC1 ZINC000509279681 515106428 /nfs/dbraw/zinc/10/64/28/515106428.db2.gz OZEMASPHXJUFTA-UHFFFAOYSA-N 1 3 362.543 2.661 20 0 FFADHO CC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1(C(=O)OC)CCC1 ZINC000498939721 515134296 /nfs/dbraw/zinc/13/42/96/515134296.db2.gz OUQYROZRGLWPEH-SFHVURJKSA-N 1 3 365.562 2.648 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476679865 515156484 /nfs/dbraw/zinc/15/64/84/515156484.db2.gz BJIQZASUHNLJHM-DLBZAZTESA-N 1 3 362.543 2.763 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476679865 515156492 /nfs/dbraw/zinc/15/64/92/515156492.db2.gz BJIQZASUHNLJHM-DLBZAZTESA-N 1 3 362.543 2.763 20 0 FFADHO CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000485752184 515171451 /nfs/dbraw/zinc/17/14/51/515171451.db2.gz SGOICTJCUUFOET-NRFANRHFSA-N 1 3 357.542 2.917 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000476800413 515199462 /nfs/dbraw/zinc/19/94/62/515199462.db2.gz DHFHOTGQICFNFB-QFBILLFUSA-N 1 3 362.518 2.821 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000476800413 515199473 /nfs/dbraw/zinc/19/94/73/515199473.db2.gz DHFHOTGQICFNFB-QFBILLFUSA-N 1 3 362.518 2.821 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000499101636 515200231 /nfs/dbraw/zinc/20/02/31/515200231.db2.gz OQTIABOZVQBCMZ-BZSNNMDCSA-N 1 3 350.482 2.600 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000468041893 515205090 /nfs/dbraw/zinc/20/50/90/515205090.db2.gz VOQQAIHJMVMGSR-KURKYZTESA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000499187671 515229406 /nfs/dbraw/zinc/22/94/06/515229406.db2.gz JMGZOHSDZBCSOM-NRSPTQNISA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000499187671 515229419 /nfs/dbraw/zinc/22/94/19/515229419.db2.gz JMGZOHSDZBCSOM-NRSPTQNISA-N 1 3 372.557 2.927 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccco1 ZINC000509576278 515240447 /nfs/dbraw/zinc/24/04/47/515240447.db2.gz DUZDSDYAEIGACR-YESZJQIVSA-N 1 3 350.507 2.835 20 0 FFADHO CC(C)[NH+](CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000463000388 515329426 /nfs/dbraw/zinc/32/94/26/515329426.db2.gz BBZLUSRBPWNCHW-ICSRJNTNSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)[NH+]1CCCC1 ZINC000477342770 515418941 /nfs/dbraw/zinc/41/89/41/515418941.db2.gz UCGJSJNJXSDHHO-ICSRJNTNSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000463276867 515426447 /nfs/dbraw/zinc/42/64/47/515426447.db2.gz QMPNQSQAJBYUJL-HKUYNNGSSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456794005 515427584 /nfs/dbraw/zinc/42/75/84/515427584.db2.gz QUIKDMXBESYFQK-XJKSGUPXSA-N 1 3 365.905 2.949 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456794005 515427595 /nfs/dbraw/zinc/42/75/95/515427595.db2.gz QUIKDMXBESYFQK-XJKSGUPXSA-N 1 3 365.905 2.949 20 0 FFADHO CN1CCC2(CCCN2C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000510324846 515504734 /nfs/dbraw/zinc/50/47/34/515504734.db2.gz FMRASBVDNZWWTK-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H]1CCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454463054 515506762 /nfs/dbraw/zinc/50/67/62/515506762.db2.gz UPKMAQYNZUSIOR-IRXDYDNUSA-N 1 3 350.551 2.671 20 0 FFADHO CN(C)C(=O)C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459391368 515519807 /nfs/dbraw/zinc/51/98/07/515519807.db2.gz UTQWDEVJANGSTG-HXUWFJFHSA-N 1 3 352.482 2.860 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000473270079 515557985 /nfs/dbraw/zinc/55/79/85/515557985.db2.gz PEBZJVHZXCAMCS-LEWJYISDSA-N 1 3 374.573 2.648 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000459455943 515566176 /nfs/dbraw/zinc/56/61/76/515566176.db2.gz FJLNBHQFSYMIBB-UHFFFAOYSA-N 1 3 359.901 2.964 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000454576115 515586315 /nfs/dbraw/zinc/58/63/15/515586315.db2.gz IMWCGYGDGBZCDY-TZIWHRDSSA-N 1 3 372.557 2.882 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000454576115 515586318 /nfs/dbraw/zinc/58/63/18/515586318.db2.gz IMWCGYGDGBZCDY-TZIWHRDSSA-N 1 3 372.557 2.882 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C(C)(C)C)s1 ZINC000505732858 515649441 /nfs/dbraw/zinc/64/94/41/515649441.db2.gz ZVNPKEMGOGKGDN-HNNXBMFYSA-N 1 3 366.575 2.929 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@H]1C ZINC000473558903 515663530 /nfs/dbraw/zinc/66/35/30/515663530.db2.gz BSXHBKNWQYQKAQ-IAVZTARUSA-N 1 3 355.526 2.838 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@H]1C ZINC000473558903 515663538 /nfs/dbraw/zinc/66/35/38/515663538.db2.gz BSXHBKNWQYQKAQ-IAVZTARUSA-N 1 3 355.526 2.838 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000457124339 515670230 /nfs/dbraw/zinc/67/02/30/515670230.db2.gz PQYOSIBLWNEWMI-UYAOXDASSA-N 1 3 361.505 2.979 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000457124339 515670237 /nfs/dbraw/zinc/67/02/37/515670237.db2.gz PQYOSIBLWNEWMI-UYAOXDASSA-N 1 3 361.505 2.979 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000464079109 515705039 /nfs/dbraw/zinc/70/50/39/515705039.db2.gz XGGJQILZSXOWSP-SESVDKBCSA-N 1 3 373.541 2.663 20 0 FFADHO C/C(=C\c1ccccc1)CN[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000500428534 515707438 /nfs/dbraw/zinc/70/74/38/515707438.db2.gz KJRKHMKQOXUZOI-JHNUBAFKSA-N 1 3 365.521 2.969 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000500602461 515787960 /nfs/dbraw/zinc/78/79/60/515787960.db2.gz ADHZPMDNMXACCF-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000500602461 515787962 /nfs/dbraw/zinc/78/79/62/515787962.db2.gz ADHZPMDNMXACCF-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO CN(c1ccccc1C[NH2+][C@@H]1CCn2ccnc2C1)C1CCN(C)CC1 ZINC000494402901 515833099 /nfs/dbraw/zinc/83/30/99/515833099.db2.gz GLOXXMDWFRVBEF-GOSISDBHSA-N 1 3 353.514 2.518 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000457379641 515838807 /nfs/dbraw/zinc/83/88/07/515838807.db2.gz UEBUNBZNMZDFER-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000457379641 515838815 /nfs/dbraw/zinc/83/88/15/515838815.db2.gz UEBUNBZNMZDFER-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000511251530 515840864 /nfs/dbraw/zinc/84/08/64/515840864.db2.gz QMQAXDZTULRPOR-KRWDZBQOSA-N 1 3 350.551 2.790 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000511251530 515840875 /nfs/dbraw/zinc/84/08/75/515840875.db2.gz QMQAXDZTULRPOR-KRWDZBQOSA-N 1 3 350.551 2.790 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506399929 515874157 /nfs/dbraw/zinc/87/41/57/515874157.db2.gz FKBCXZBPDTURBZ-PXNSSMCTSA-N 1 3 362.562 2.767 20 0 FFADHO COC(=O)C[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000501022923 515940594 /nfs/dbraw/zinc/94/05/94/515940594.db2.gz KVUOYIIZOUHHGA-LJQANCHMSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CN1Cc1ccccc1 ZINC000474296470 515977679 /nfs/dbraw/zinc/97/76/79/515977679.db2.gz WPJLGAPSFWAWJA-JTSKRJEESA-N 1 3 363.505 2.768 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2ccccc2s1 ZINC000501136410 515994634 /nfs/dbraw/zinc/99/46/34/515994634.db2.gz RXHIHFFTKHGOKQ-HNNXBMFYSA-N 1 3 360.527 2.784 20 0 FFADHO CC(C)[C@@H](CNC(=O)NCCN1CCCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000501178456 516006142 /nfs/dbraw/zinc/00/61/42/516006142.db2.gz ZTDCVOQTKMUUCP-RBUKOAKNSA-N 1 3 352.567 2.917 20 0 FFADHO CN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000469897137 516021091 /nfs/dbraw/zinc/02/10/91/516021091.db2.gz CAALKFNMBZTDEV-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000460138794 516042461 /nfs/dbraw/zinc/04/24/61/516042461.db2.gz YGSIDRIZTNOVDO-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000460138794 516042466 /nfs/dbraw/zinc/04/24/66/516042466.db2.gz YGSIDRIZTNOVDO-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479062496 516042628 /nfs/dbraw/zinc/04/26/28/516042628.db2.gz DAMCEJBGEVMIFH-OAQYLSRUSA-N 1 3 367.541 2.865 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000511900584 516072540 /nfs/dbraw/zinc/07/25/40/516072540.db2.gz IJTUPCYNRZMZHE-FQEVSTJZSA-N 1 3 373.545 2.814 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000511900584 516072547 /nfs/dbraw/zinc/07/25/47/516072547.db2.gz IJTUPCYNRZMZHE-FQEVSTJZSA-N 1 3 373.545 2.814 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488007393 516078269 /nfs/dbraw/zinc/07/82/69/516078269.db2.gz HCNGACQVSKEZFT-RDGPPVDQSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488007393 516078276 /nfs/dbraw/zinc/07/82/76/516078276.db2.gz HCNGACQVSKEZFT-RDGPPVDQSA-N 1 3 364.578 2.869 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 ZINC000479183578 516094055 /nfs/dbraw/zinc/09/40/55/516094055.db2.gz GZVSSRFTTXXOEC-PMACEKPBSA-N 1 3 355.457 2.821 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000457728461 516101580 /nfs/dbraw/zinc/10/15/80/516101580.db2.gz GOKZQAPZLRUJBV-QRVBRYPASA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000512025692 516121742 /nfs/dbraw/zinc/12/17/42/516121742.db2.gz QCONLVJAZVNMOD-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000512025692 516121749 /nfs/dbraw/zinc/12/17/49/516121749.db2.gz QCONLVJAZVNMOD-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000465414176 516146670 /nfs/dbraw/zinc/14/66/70/516146670.db2.gz VIFFFQBLVKJRJT-GOSISDBHSA-N 1 3 352.567 2.728 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000465414176 516146677 /nfs/dbraw/zinc/14/66/77/516146677.db2.gz VIFFFQBLVKJRJT-GOSISDBHSA-N 1 3 352.567 2.728 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000465424683 516149220 /nfs/dbraw/zinc/14/92/20/516149220.db2.gz PKFXSKDEEFNAIG-PMPSAXMXSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000465424683 516149230 /nfs/dbraw/zinc/14/92/30/516149230.db2.gz PKFXSKDEEFNAIG-PMPSAXMXSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000501544209 516149355 /nfs/dbraw/zinc/14/93/55/516149355.db2.gz CKOYQYPPOZPFNJ-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000501544209 516149367 /nfs/dbraw/zinc/14/93/67/516149367.db2.gz CKOYQYPPOZPFNJ-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000465431090 516150294 /nfs/dbraw/zinc/15/02/94/516150294.db2.gz RRXQWQWREJJAGI-PMACEKPBSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000465431090 516150301 /nfs/dbraw/zinc/15/03/01/516150301.db2.gz RRXQWQWREJJAGI-PMACEKPBSA-N 1 3 360.546 2.533 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479352703 516159949 /nfs/dbraw/zinc/15/99/49/516159949.db2.gz XZDHEJUYBLSGDX-IKGGRYGDSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479352703 516159957 /nfs/dbraw/zinc/15/99/57/516159957.db2.gz XZDHEJUYBLSGDX-IKGGRYGDSA-N 1 3 350.507 2.740 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000460473627 516160307 /nfs/dbraw/zinc/16/03/07/516160307.db2.gz RTICGEANGJVCEP-IBGZPJMESA-N 1 3 370.607 2.721 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457806907 516160814 /nfs/dbraw/zinc/16/08/14/516160814.db2.gz VTKCGZLXCVKYDH-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457806907 516160824 /nfs/dbraw/zinc/16/08/24/516160824.db2.gz VTKCGZLXCVKYDH-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO COc1ccc([C@H](C)[C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000474730563 516174548 /nfs/dbraw/zinc/17/45/48/516174548.db2.gz SAEBLPPPPIIECZ-ZIFCJYIRSA-N 1 3 364.530 2.878 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000483691967 516174657 /nfs/dbraw/zinc/17/46/57/516174657.db2.gz VJFXELNKAAEKIV-NJYVYQBISA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000483691967 516174663 /nfs/dbraw/zinc/17/46/63/516174663.db2.gz VJFXELNKAAEKIV-NJYVYQBISA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000507335923 516176259 /nfs/dbraw/zinc/17/62/59/516176259.db2.gz YHCBLMVRHVANEO-FXAWDEMLSA-N 1 3 358.530 2.805 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1C ZINC000483707616 516182355 /nfs/dbraw/zinc/18/23/55/516182355.db2.gz FHUXDABOMXXFDL-NQIIRXRSSA-N 1 3 372.557 2.949 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1C ZINC000483707616 516182364 /nfs/dbraw/zinc/18/23/64/516182364.db2.gz FHUXDABOMXXFDL-NQIIRXRSSA-N 1 3 372.557 2.949 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000507377663 516193015 /nfs/dbraw/zinc/19/30/15/516193015.db2.gz INJPZDFNJJDURO-FQEVSTJZSA-N 1 3 372.557 2.725 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000507377663 516193023 /nfs/dbraw/zinc/19/30/23/516193023.db2.gz INJPZDFNJJDURO-FQEVSTJZSA-N 1 3 372.557 2.725 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000465630338 516214914 /nfs/dbraw/zinc/21/49/14/516214914.db2.gz MXIJFOSJJHMFKY-ZWKOTPCHSA-N 1 3 364.534 2.658 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000465630338 516214920 /nfs/dbraw/zinc/21/49/20/516214920.db2.gz MXIJFOSJJHMFKY-ZWKOTPCHSA-N 1 3 364.534 2.658 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457935784 516239009 /nfs/dbraw/zinc/23/90/09/516239009.db2.gz ODBWDUOVBAPMBH-XLIONFOSSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457935784 516239017 /nfs/dbraw/zinc/23/90/17/516239017.db2.gz ODBWDUOVBAPMBH-XLIONFOSSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccnc3)CC2)C[C@H](C)O1 ZINC000483961165 516261115 /nfs/dbraw/zinc/26/11/15/516261115.db2.gz OKZATDKUUPKZEX-HDICACEKSA-N 1 3 374.529 2.622 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512412495 516269446 /nfs/dbraw/zinc/26/94/46/516269446.db2.gz PSASWHKHXXOXDB-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412495 516269448 /nfs/dbraw/zinc/26/94/48/516269448.db2.gz PSASWHKHXXOXDB-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccco1 ZINC000496649535 516273474 /nfs/dbraw/zinc/27/34/74/516273474.db2.gz IWOXJEDBKWZPAV-BBWFWOEESA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccco1 ZINC000496649535 516273479 /nfs/dbraw/zinc/27/34/79/516273479.db2.gz IWOXJEDBKWZPAV-BBWFWOEESA-N 1 3 350.507 2.882 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000502020847 516286030 /nfs/dbraw/zinc/28/60/30/516286030.db2.gz VXSIFJDVZYQOKA-YLJYHZDGSA-N 1 3 358.530 2.988 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000502020847 516286033 /nfs/dbraw/zinc/28/60/33/516286033.db2.gz VXSIFJDVZYQOKA-YLJYHZDGSA-N 1 3 358.530 2.988 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000497328346 516308563 /nfs/dbraw/zinc/30/85/63/516308563.db2.gz GCWMUKWSFLBBLB-UYAOXDASSA-N 1 3 361.555 2.582 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000497328346 516308564 /nfs/dbraw/zinc/30/85/64/516308564.db2.gz GCWMUKWSFLBBLB-UYAOXDASSA-N 1 3 361.555 2.582 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000497451040 516322651 /nfs/dbraw/zinc/32/26/51/516322651.db2.gz HWDBUONHHZSAEC-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO Cc1ccc2occ(CC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000528318054 516343869 /nfs/dbraw/zinc/34/38/69/516343869.db2.gz WIKQMNQIWQKMPN-UHFFFAOYSA-N 1 3 369.509 2.959 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)CC1 ZINC000561078417 516366147 /nfs/dbraw/zinc/36/61/47/516366147.db2.gz PJEGLSDVEGZBON-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCOc3ccccc3)CC2)CC1 ZINC000561081801 516368337 /nfs/dbraw/zinc/36/83/37/516368337.db2.gz LBYDTFDHRQBHLA-UHFFFAOYSA-N 1 3 373.541 2.768 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)ccn1 ZINC000535510490 516380139 /nfs/dbraw/zinc/38/01/39/516380139.db2.gz BCNNTLCYIRQOJN-HBMCJLEFSA-N 1 3 370.541 2.531 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000531357650 516426524 /nfs/dbraw/zinc/42/65/24/516426524.db2.gz PDRFOBFXLYTQKR-LEWJYISDSA-N 1 3 353.510 2.895 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000540162099 516459689 /nfs/dbraw/zinc/45/96/89/516459689.db2.gz FUYBGNWYZYZFSO-POAQFYNOSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000540162099 516459694 /nfs/dbraw/zinc/45/96/94/516459694.db2.gz FUYBGNWYZYZFSO-POAQFYNOSA-N 1 3 362.514 2.725 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523455163 516475478 /nfs/dbraw/zinc/47/54/78/516475478.db2.gz CWBJABHKJHZOOS-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO CCN(C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000523519764 516494629 /nfs/dbraw/zinc/49/46/29/516494629.db2.gz ACEXEUHTWAWBCG-QZTJIDSGSA-N 1 3 360.546 2.915 20 0 FFADHO O=C1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000540360493 516525419 /nfs/dbraw/zinc/52/54/19/516525419.db2.gz RXXYQEWLSUKXGL-HBMCJLEFSA-N 1 3 353.510 2.607 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000536016031 516594318 /nfs/dbraw/zinc/59/43/18/516594318.db2.gz AMPHLMXZMVUGQT-VQTJNVASSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000531685059 516595656 /nfs/dbraw/zinc/59/56/56/516595656.db2.gz TXIANDZNPOMJKU-IFMALSPDSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@@H+](C2CCC2)C1 ZINC000528704343 516630922 /nfs/dbraw/zinc/63/09/22/516630922.db2.gz HQIZTDNQXYWZMG-HNNXBMFYSA-N 1 3 358.486 2.507 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@H+](C2CCC2)C1 ZINC000528704343 516630929 /nfs/dbraw/zinc/63/09/29/516630929.db2.gz HQIZTDNQXYWZMG-HNNXBMFYSA-N 1 3 358.486 2.507 20 0 FFADHO c1ccc([C@H]2C[C@@H]2C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000540598388 516636651 /nfs/dbraw/zinc/63/66/51/516636651.db2.gz HDAFZCIVBIYJTM-IFMALSPDSA-N 1 3 350.510 2.987 20 0 FFADHO COc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1OC(C)C ZINC000531863677 516680406 /nfs/dbraw/zinc/68/04/06/516680406.db2.gz AQBLVIQGVCTULT-UHFFFAOYSA-N 1 3 350.503 2.807 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c2cccs2)CC1 ZINC000518497233 516681134 /nfs/dbraw/zinc/68/11/34/516681134.db2.gz DLPZUIPQOCYQLN-IXDOHACOSA-N 1 3 364.559 2.818 20 0 FFADHO C[C@@H](CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[NH+]1CCCCC1 ZINC000544332609 516705915 /nfs/dbraw/zinc/70/59/15/516705915.db2.gz SLYUJJDCPDTHEA-ICSRJNTNSA-N 1 3 360.546 2.723 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518592789 516714285 /nfs/dbraw/zinc/71/42/85/516714285.db2.gz KXRUHYYBZOGNOP-NRFANRHFSA-N 1 3 370.541 2.705 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000561686139 516715268 /nfs/dbraw/zinc/71/52/68/516715268.db2.gz SYSGCILDFRRDEA-GTAWCEEGSA-N 1 3 356.514 2.700 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000544349408 516716581 /nfs/dbraw/zinc/71/65/81/516716581.db2.gz VTZVKIFTXYSVJM-LLGFUMIMSA-N 1 3 369.513 2.649 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000544349408 516716588 /nfs/dbraw/zinc/71/65/88/516716588.db2.gz VTZVKIFTXYSVJM-LLGFUMIMSA-N 1 3 369.513 2.649 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)(N2CCCCC2)CC1 ZINC000544356981 516722135 /nfs/dbraw/zinc/72/21/35/516722135.db2.gz REGPNNAKKLXZKK-LJQANCHMSA-N 1 3 370.541 3.000 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000561771447 516764145 /nfs/dbraw/zinc/76/41/45/516764145.db2.gz QLTWZCIEMMMZQU-WMLDXEAASA-N 1 3 357.420 2.507 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cccnc3)CC2)CC1 ZINC000518792520 516778356 /nfs/dbraw/zinc/77/83/56/516778356.db2.gz KOIYEYBYTYODCL-OAQYLSRUSA-N 1 3 370.541 2.941 20 0 FFADHO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000544491293 516781929 /nfs/dbraw/zinc/78/19/29/516781929.db2.gz ZXBNLWMSSXFMSL-WOJBJXKFSA-N 1 3 351.579 2.931 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NCc1ccncc1OCC[NH+](C)C ZINC000518829155 516791331 /nfs/dbraw/zinc/79/13/31/516791331.db2.gz ZCPHRXQMRCUZHT-HNNXBMFYSA-N 1 3 374.460 2.668 20 0 FFADHO C[C@@H]1C[C@H](Nc2cncc(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)n2)CN1C1CC1 ZINC000518850574 516796637 /nfs/dbraw/zinc/79/66/37/516796637.db2.gz NXFLZCKZAZEIFQ-WCVJEAGWSA-N 1 3 356.518 2.551 20 0 FFADHO C[C@@H]1C[C@H](Nc2cncc(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)n2)CN1C1CC1 ZINC000518850574 516796649 /nfs/dbraw/zinc/79/66/49/516796649.db2.gz NXFLZCKZAZEIFQ-WCVJEAGWSA-N 1 3 356.518 2.551 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544568331 516816794 /nfs/dbraw/zinc/81/67/94/516816794.db2.gz GGDBRHAVZQAWPP-NMJFEHLSSA-N 1 3 363.590 2.571 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)c1 ZINC000524779952 516828671 /nfs/dbraw/zinc/82/86/71/516828671.db2.gz ZDTDVYLFEJWGDQ-QRFRQXIXSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)c1 ZINC000524779952 516828677 /nfs/dbraw/zinc/82/86/77/516828677.db2.gz ZDTDVYLFEJWGDQ-QRFRQXIXSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)c1 ZINC000524779951 516828958 /nfs/dbraw/zinc/82/89/58/516828958.db2.gz ZDTDVYLFEJWGDQ-POAQFYNOSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)c1 ZINC000524779951 516828967 /nfs/dbraw/zinc/82/89/67/516828967.db2.gz ZDTDVYLFEJWGDQ-POAQFYNOSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000514058835 516846451 /nfs/dbraw/zinc/84/64/51/516846451.db2.gz DHJOCKAYPHUVNQ-LMCOJAPRSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000514058835 516846456 /nfs/dbraw/zinc/84/64/56/516846456.db2.gz DHJOCKAYPHUVNQ-LMCOJAPRSA-N 1 3 356.514 2.748 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000514144309 516878829 /nfs/dbraw/zinc/87/88/29/516878829.db2.gz DEZZMKTVEZBMQG-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH+](C)Cc1ccc(CNC[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000558702521 516897660 /nfs/dbraw/zinc/89/76/60/516897660.db2.gz AATNHPRUAVOEQC-GOSISDBHSA-N 1 3 353.466 2.759 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccc3OC)CC2)CC1 ZINC000519199963 516921324 /nfs/dbraw/zinc/92/13/24/516921324.db2.gz MLHFBDQGTNMMHL-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000514437648 516929327 /nfs/dbraw/zinc/92/93/27/516929327.db2.gz BAUBJQAKGOROMX-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C(C)C ZINC000558941060 517011890 /nfs/dbraw/zinc/01/18/90/517011890.db2.gz ULBXMBPHIHUNAQ-QGZVFWFLSA-N 1 3 354.926 2.972 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C(C)C ZINC000558941060 517011897 /nfs/dbraw/zinc/01/18/97/517011897.db2.gz ULBXMBPHIHUNAQ-QGZVFWFLSA-N 1 3 354.926 2.972 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000525403221 517033541 /nfs/dbraw/zinc/03/35/41/517033541.db2.gz LDYOBIIHLMGQJX-UHFFFAOYSA-N 1 3 350.409 2.988 20 0 FFADHO COCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000552042641 517047192 /nfs/dbraw/zinc/04/71/92/517047192.db2.gz RUENSSUGBRBYTQ-KAOXLYBCSA-N 1 3 371.569 2.988 20 0 FFADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000529280515 517049407 /nfs/dbraw/zinc/04/94/07/517049407.db2.gz BBRKGOMNCYWYTF-JKSUJKDBSA-N 1 3 350.532 2.524 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000552075281 517065345 /nfs/dbraw/zinc/06/53/45/517065345.db2.gz RFJOGWWRORABRW-OLZOCXBDSA-N 1 3 367.563 2.916 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1cccs1 ZINC000529312485 517071642 /nfs/dbraw/zinc/07/16/42/517071642.db2.gz CGPXORTWWRKWJD-HYVNUMGLSA-N 1 3 362.543 2.715 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529317170 517073984 /nfs/dbraw/zinc/07/39/84/517073984.db2.gz ZJHOCQJNIQJTDC-BHIYHBOVSA-N 1 3 356.514 2.623 20 0 FFADHO COC[C@]1(C)CCN(Cc2cncc(CN3CC[C@@](C)(COC)C3)c2)C1 ZINC000514840868 517081894 /nfs/dbraw/zinc/08/18/94/517081894.db2.gz LVDLYEHEFHQDKL-NHCUHLMSSA-N 1 3 361.530 2.798 20 0 FFADHO COC[C@]1(C)CCN(Cc2cncc(C[N@@H+]3CC[C@@](C)(COC)C3)c2)C1 ZINC000514840868 517081901 /nfs/dbraw/zinc/08/19/01/517081901.db2.gz LVDLYEHEFHQDKL-NHCUHLMSSA-N 1 3 361.530 2.798 20 0 FFADHO COC[C@]1(C)CCN(Cc2cncc(C[N@H+]3CC[C@@](C)(COC)C3)c2)C1 ZINC000514840868 517081907 /nfs/dbraw/zinc/08/19/07/517081907.db2.gz LVDLYEHEFHQDKL-NHCUHLMSSA-N 1 3 361.530 2.798 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000545247178 517129433 /nfs/dbraw/zinc/12/94/33/517129433.db2.gz QOUJDQXCEMPERK-MRXNPFEDSA-N 1 3 365.477 2.913 20 0 FFADHO CCC1(CC)[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C[C@H]1OC ZINC000537293150 517129999 /nfs/dbraw/zinc/12/99/99/517129999.db2.gz WEQCVSYXIBCTMV-WOJBJXKFSA-N 1 3 360.546 2.777 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000537305949 517138059 /nfs/dbraw/zinc/13/80/59/517138059.db2.gz AODVSZAKOJJHCC-ZDUSSCGKSA-N 1 3 351.878 2.917 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)C2)cc(OC)c1 ZINC000552248408 517160763 /nfs/dbraw/zinc/16/07/63/517160763.db2.gz GFNCWXYRRUEDSM-ZHNGQKSSSA-N 1 3 373.541 2.741 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)C2)cc(OC)c1 ZINC000552248408 517160780 /nfs/dbraw/zinc/16/07/80/517160780.db2.gz GFNCWXYRRUEDSM-ZHNGQKSSSA-N 1 3 373.541 2.741 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000519773060 517176579 /nfs/dbraw/zinc/17/65/79/517176579.db2.gz UJKDGHVZKRDIIJ-DBXWQHBBSA-N 1 3 355.526 2.986 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000519773060 517176590 /nfs/dbraw/zinc/17/65/90/517176590.db2.gz UJKDGHVZKRDIIJ-DBXWQHBBSA-N 1 3 355.526 2.986 20 0 FFADHO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000519808987 517194987 /nfs/dbraw/zinc/19/49/87/517194987.db2.gz FPFSAHAVLDELIX-KRWDZBQOSA-N 1 3 360.502 2.754 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000519829028 517206687 /nfs/dbraw/zinc/20/66/87/517206687.db2.gz SUKQUZJVGQCOOK-BVYCBKJFSA-N 1 3 365.521 2.973 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000541822075 517232192 /nfs/dbraw/zinc/23/21/92/517232192.db2.gz CAUISFVMJKZIGQ-YLJYHZDGSA-N 1 3 360.546 2.969 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000533046953 517268561 /nfs/dbraw/zinc/26/85/61/517268561.db2.gz MQYBRQAFTXFNTO-LEWJYISDSA-N 1 3 372.557 2.920 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000533046953 517268566 /nfs/dbraw/zinc/26/85/66/517268566.db2.gz MQYBRQAFTXFNTO-LEWJYISDSA-N 1 3 372.557 2.920 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000526001060 517286024 /nfs/dbraw/zinc/28/60/24/517286024.db2.gz YWBIAYOURAGXBL-MJGOQNOKSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2CCS(=O)(=O)CC2)CC1 ZINC000541909498 517287924 /nfs/dbraw/zinc/28/79/24/517287924.db2.gz UFOAPUAMSUMCFU-LPHOPBHVSA-N 1 3 356.576 2.834 20 0 FFADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2CCS(=O)(=O)CC2)CC1 ZINC000541909498 517287931 /nfs/dbraw/zinc/28/79/31/517287931.db2.gz UFOAPUAMSUMCFU-LPHOPBHVSA-N 1 3 356.576 2.834 20 0 FFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000559553342 517314192 /nfs/dbraw/zinc/31/41/92/517314192.db2.gz NFGZTLAUJXXPSE-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000559553342 517314202 /nfs/dbraw/zinc/31/42/02/517314202.db2.gz NFGZTLAUJXXPSE-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCCC[NH+]1CCCCC1 ZINC000520381242 517371400 /nfs/dbraw/zinc/37/14/00/517371400.db2.gz ZKZYNDYBTRYWDF-UHFFFAOYSA-N 1 3 372.557 2.581 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)[C@@H](n2cncn2)C1 ZINC000559740521 517402395 /nfs/dbraw/zinc/40/23/95/517402395.db2.gz GSPNFHDMXWSIDW-UXPWSPDFSA-N 1 3 357.502 2.738 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000562818972 517432243 /nfs/dbraw/zinc/43/22/43/517432243.db2.gz TURVWRSULRFUTL-UFYCRDLUSA-N 1 3 370.541 2.810 20 0 FFADHO C[C@@H](CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000542377999 517527684 /nfs/dbraw/zinc/52/76/84/517527684.db2.gz LBSZRIUGWGIKTF-AZUAARDMSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H](CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000542378003 517528778 /nfs/dbraw/zinc/52/87/78/517528778.db2.gz LBSZRIUGWGIKTF-QUCCMNQESA-N 1 3 360.546 2.723 20 0 FFADHO CC(C)(CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000520924371 517553726 /nfs/dbraw/zinc/55/37/26/517553726.db2.gz LRVSEOJYHJARJQ-LJQANCHMSA-N 1 3 358.530 2.532 20 0 FFADHO O=C1CC[C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc2N1 ZINC000542500303 517597436 /nfs/dbraw/zinc/59/74/36/517597436.db2.gz UMRKRSYGLCNLCD-QUCCMNQESA-N 1 3 365.477 2.816 20 0 FFADHO O=C1CC[C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccc2N1 ZINC000542500303 517597444 /nfs/dbraw/zinc/59/74/44/517597444.db2.gz UMRKRSYGLCNLCD-QUCCMNQESA-N 1 3 365.477 2.816 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000516297703 517651100 /nfs/dbraw/zinc/65/11/00/517651100.db2.gz KKTMAMFZSNQDCI-RXVVDRJESA-N 1 3 364.493 2.673 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000516297703 517651112 /nfs/dbraw/zinc/65/11/12/517651112.db2.gz KKTMAMFZSNQDCI-RXVVDRJESA-N 1 3 364.493 2.673 20 0 FFADHO c1cc(OC[C@@H]2CCCO2)ccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243479 517652446 /nfs/dbraw/zinc/65/24/46/517652446.db2.gz YKVOLKKZEQDQQB-YADHBBJMSA-N 1 3 374.525 2.835 20 0 FFADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3cnccn3)cc2)C[C@@H]1C ZINC000563111494 517667619 /nfs/dbraw/zinc/66/76/19/517667619.db2.gz LKIVCQXXEHRYQN-ROUUACIJSA-N 1 3 354.498 2.776 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000542711989 517699023 /nfs/dbraw/zinc/69/90/23/517699023.db2.gz MWGOSLWRUGQTMF-HLIPFELVSA-N 1 3 352.567 2.869 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Cc1ccco1 ZINC000542811939 517759089 /nfs/dbraw/zinc/75/90/89/517759089.db2.gz ZETJXKLPROYUDW-YUVXSKOASA-N 1 3 354.494 2.931 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cc1ccco1 ZINC000542811939 517759099 /nfs/dbraw/zinc/75/90/99/517759099.db2.gz ZETJXKLPROYUDW-YUVXSKOASA-N 1 3 354.494 2.931 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cc1ccco1 ZINC000542811939 517759109 /nfs/dbraw/zinc/75/91/09/517759109.db2.gz ZETJXKLPROYUDW-YUVXSKOASA-N 1 3 354.494 2.931 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000542891441 517800414 /nfs/dbraw/zinc/80/04/14/517800414.db2.gz FIAZIUHKZIKADK-ZCNNSNEGSA-N 1 3 367.578 2.702 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000542891441 517800422 /nfs/dbraw/zinc/80/04/22/517800422.db2.gz FIAZIUHKZIKADK-ZCNNSNEGSA-N 1 3 367.578 2.702 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000516682548 517806106 /nfs/dbraw/zinc/80/61/06/517806106.db2.gz VHXGSMYLBHBZTA-HBFSDRIKSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000516682548 517806115 /nfs/dbraw/zinc/80/61/15/517806115.db2.gz VHXGSMYLBHBZTA-HBFSDRIKSA-N 1 3 360.546 2.579 20 0 FFADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccn1 ZINC000527659939 517827285 /nfs/dbraw/zinc/82/72/85/517827285.db2.gz CEDJSRZNTXINQY-UHFFFAOYSA-N 1 3 352.482 2.505 20 0 FFADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(Br)s2)CCC1)C1CC1 ZINC000521864881 517878839 /nfs/dbraw/zinc/87/88/39/517878839.db2.gz ISYSPGJVPKGHIT-CYBMUJFWSA-N 1 3 373.360 2.977 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(Br)s2)CCC1)C1CC1 ZINC000521864881 517878843 /nfs/dbraw/zinc/87/88/43/517878843.db2.gz ISYSPGJVPKGHIT-CYBMUJFWSA-N 1 3 373.360 2.977 20 0 FFADHO c1cn(CCC[NH2+][C@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nn1 ZINC000560550457 517890262 /nfs/dbraw/zinc/89/02/62/517890262.db2.gz UDMQVJYMSPMCOC-ACRUOGEOSA-N 1 3 353.514 2.949 20 0 FFADHO C[C@@H]1CCc2[nH]c3ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc3c2C1 ZINC000530641819 517894758 /nfs/dbraw/zinc/89/47/58/517894758.db2.gz QLOIEEZWIAORCB-MRXNPFEDSA-N 1 3 370.541 2.858 20 0 FFADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530663211 517909516 /nfs/dbraw/zinc/90/95/16/517909516.db2.gz AIKDVUOEUMLOHO-GCJKJVERSA-N 1 3 367.493 2.630 20 0 FFADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530663211 517909524 /nfs/dbraw/zinc/90/95/24/517909524.db2.gz AIKDVUOEUMLOHO-GCJKJVERSA-N 1 3 367.493 2.630 20 0 FFADHO Cc1nc2ccc(Br)cc2c(N2CCO[C@H](C[NH3+])C2)c1C ZINC000516917697 517915401 /nfs/dbraw/zinc/91/54/01/517915401.db2.gz YXRZBQNWPGQZPX-CYBMUJFWSA-N 1 3 350.260 2.778 20 0 FFADHO CC1(NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[NH2+]CC1 ZINC000563466766 517919976 /nfs/dbraw/zinc/91/99/76/517919976.db2.gz GZQRENWPDXWEFS-UHFFFAOYSA-N 1 3 360.502 2.815 20 0 FFADHO C[NH+](C)C1(CNC(=O)Nc2ccc3c(c2)CNC3)Cc2ccccc2C1 ZINC000563507345 517944744 /nfs/dbraw/zinc/94/47/44/517944744.db2.gz XNCYGIIWUSRQBG-UHFFFAOYSA-N 1 3 350.466 2.511 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527893312 517976530 /nfs/dbraw/zinc/97/65/30/517976530.db2.gz NUIKFBCSUSIQOU-CTNGQTDRSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527893312 517976539 /nfs/dbraw/zinc/97/65/39/517976539.db2.gz NUIKFBCSUSIQOU-CTNGQTDRSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553940234 517980540 /nfs/dbraw/zinc/98/05/40/517980540.db2.gz FIDFQHQQRWSSIW-QZTJIDSGSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553940234 517980545 /nfs/dbraw/zinc/98/05/45/517980545.db2.gz FIDFQHQQRWSSIW-QZTJIDSGSA-N 1 3 364.534 2.863 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000539303392 517984837 /nfs/dbraw/zinc/98/48/37/517984837.db2.gz NSCCXZSKCNWQEU-QGZVFWFLSA-N 1 3 360.502 2.577 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000563588191 518003011 /nfs/dbraw/zinc/00/30/11/518003011.db2.gz NDZZSQDPEPBFMN-RAUXBKROSA-N 1 3 358.530 2.727 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000563593389 518007609 /nfs/dbraw/zinc/00/76/09/518007609.db2.gz NTLNGZUOAJVOOW-IRFCIJBXSA-N 1 3 358.530 2.858 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)ccc1OC ZINC000527955625 518011137 /nfs/dbraw/zinc/01/11/37/518011137.db2.gz NGYMNIFUKBEMFH-ZAAXVRCTSA-N 1 3 350.503 2.728 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000517111424 518029592 /nfs/dbraw/zinc/02/95/92/518029592.db2.gz SEDNIJDYXNATFK-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000517111424 518029600 /nfs/dbraw/zinc/02/96/00/518029600.db2.gz SEDNIJDYXNATFK-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(-n2ccnn2)c1 ZINC000554070878 518048725 /nfs/dbraw/zinc/04/87/25/518048725.db2.gz AGYUFEDHCCODAZ-KRWDZBQOSA-N 1 3 355.486 2.563 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000522406711 518099714 /nfs/dbraw/zinc/09/97/14/518099714.db2.gz TWJLFQDXFIHPOR-CEXWTWQISA-N 1 3 360.546 2.784 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000522406711 518099721 /nfs/dbraw/zinc/09/97/21/518099721.db2.gz TWJLFQDXFIHPOR-CEXWTWQISA-N 1 3 360.546 2.784 20 0 FFADHO C[C@H](NCCC(=O)NCC(=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460338 518105184 /nfs/dbraw/zinc/10/51/84/518105184.db2.gz LIHCDQAEUPQEDT-PKOBYXMFSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@H](NCCC(=O)NCC(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460338 518105190 /nfs/dbraw/zinc/10/51/90/518105190.db2.gz LIHCDQAEUPQEDT-PKOBYXMFSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000543460338 518105195 /nfs/dbraw/zinc/10/51/95/518105195.db2.gz LIHCDQAEUPQEDT-PKOBYXMFSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)CN1CCCCC1 ZINC000547367778 518105360 /nfs/dbraw/zinc/10/53/60/518105360.db2.gz KLLCHVOJCNHKDD-IRXDYDNUSA-N 1 3 357.498 2.773 20 0 FFADHO CC(C)[C@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)[NH+]1CCC(C)CC1 ZINC000522468516 518112983 /nfs/dbraw/zinc/11/29/83/518112983.db2.gz HPGCFYRWQRKIDV-OALUTQOASA-N 1 3 352.567 2.726 20 0 FFADHO C[C@H]1C[C@@H]1c1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000522695671 518149406 /nfs/dbraw/zinc/14/94/06/518149406.db2.gz XNERXZMEKKGOQN-KXBFYZLASA-N 1 3 374.529 2.761 20 0 FFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531136141 518149983 /nfs/dbraw/zinc/14/99/83/518149983.db2.gz ZQKPOWAGSVIGSQ-IBGZPJMESA-N 1 3 370.541 2.817 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535364505 518176758 /nfs/dbraw/zinc/17/67/58/518176758.db2.gz XMTRRPOJJWXAEW-BWPNAZKDSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535364505 518176759 /nfs/dbraw/zinc/17/67/59/518176759.db2.gz XMTRRPOJJWXAEW-BWPNAZKDSA-N 1 3 358.530 2.994 20 0 FFADHO O=C(CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)Nc1cccc(F)c1 ZINC000578499713 518238796 /nfs/dbraw/zinc/23/87/96/518238796.db2.gz XKOJVNMRNRBXGS-MOPGFXCFSA-N 1 3 363.477 2.512 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000569690844 518242987 /nfs/dbraw/zinc/24/29/87/518242987.db2.gz QKEYVTPOIMABPY-FXAWDEMLSA-N 1 3 358.530 2.622 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000569690844 518242992 /nfs/dbraw/zinc/24/29/92/518242992.db2.gz QKEYVTPOIMABPY-FXAWDEMLSA-N 1 3 358.530 2.622 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000575732744 518254113 /nfs/dbraw/zinc/25/41/13/518254113.db2.gz AWTCSYGRPDPVIW-OYNPSCLESA-N 1 3 370.541 2.511 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 ZINC000581380084 518257795 /nfs/dbraw/zinc/25/77/95/518257795.db2.gz HGNMGCPAKJSJIL-SQNIBIBYSA-N 1 3 371.447 2.938 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000581423408 518277897 /nfs/dbraw/zinc/27/78/97/518277897.db2.gz KYYPIBGDKLVRJW-NUEKZKHPSA-N 1 3 360.527 2.607 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000569802294 518299325 /nfs/dbraw/zinc/29/93/25/518299325.db2.gz NMGSEJGZAJAPAP-UFGOTCBOSA-N 1 3 366.815 2.508 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccc(C(F)F)cc2)(N2CCOCC2)CC1 ZINC000569813057 518306854 /nfs/dbraw/zinc/30/68/54/518306854.db2.gz QPSBMWWVQBUQAG-UHFFFAOYSA-N 1 3 353.457 2.510 20 0 FFADHO COc1cc2c(cc1CN1CCC([C@@H]3OCCC[C@H]3[NH3+])CC1)O[C@@H](C)C2 ZINC000572702388 518320219 /nfs/dbraw/zinc/32/02/19/518320219.db2.gz CSDJJBJSCGMTDG-HLLQZAQXSA-N 1 3 360.498 2.737 20 0 FFADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000584405936 518326575 /nfs/dbraw/zinc/32/65/75/518326575.db2.gz KDCSXPWHGKVMGT-YDHLFZDLSA-N 1 3 371.294 2.879 20 0 FFADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000584405936 518326578 /nfs/dbraw/zinc/32/65/78/518326578.db2.gz KDCSXPWHGKVMGT-YDHLFZDLSA-N 1 3 371.294 2.879 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1O2 ZINC000578706116 518333657 /nfs/dbraw/zinc/33/36/57/518333657.db2.gz GUBNDMIHGOZQSZ-HTWSVDAQSA-N 1 3 357.498 2.608 20 0 FFADHO CN(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000584458203 518350791 /nfs/dbraw/zinc/35/07/91/518350791.db2.gz WJZJYVKBXCCSSE-AWEZNQCLSA-N 1 3 366.893 2.639 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000575973519 518368981 /nfs/dbraw/zinc/36/89/81/518368981.db2.gz XVLXPNKYAAQWFG-BWPNAZKDSA-N 1 3 358.530 2.584 20 0 FFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000576054185 518406288 /nfs/dbraw/zinc/40/62/88/518406288.db2.gz SYOARQIRRNUQTA-FUHWJXTLSA-N 1 3 350.551 2.526 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC([C@@H]3CC[NH2+]C3)CC2)C2CC2)cc1 ZINC000570045788 518417120 /nfs/dbraw/zinc/41/71/20/518417120.db2.gz NPKSJIXFASFLSV-LJQANCHMSA-N 1 3 371.525 2.508 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000564430616 518449037 /nfs/dbraw/zinc/44/90/37/518449037.db2.gz OCMWCWJTMRBVLJ-IAGOWNOFSA-N 1 3 364.559 2.731 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000581776796 518449177 /nfs/dbraw/zinc/44/91/77/518449177.db2.gz RHRTVOOFCQAEJQ-RLLQIKCJSA-N 1 3 358.530 2.758 20 0 FFADHO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000567314732 518459964 /nfs/dbraw/zinc/45/99/64/518459964.db2.gz RRWNBFJXDSYRCE-VDGAXYAQSA-N 1 3 367.484 2.533 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCC([C@H]3CC[NH2+]C3)CC2)C2CC2)cc1 ZINC000573001234 518460337 /nfs/dbraw/zinc/46/03/37/518460337.db2.gz IMLODGLBORFASX-FQEVSTJZSA-N 1 3 355.526 2.808 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000576211215 518481821 /nfs/dbraw/zinc/48/18/21/518481821.db2.gz IGYHEKBRFIQVBV-UHFFFAOYSA-N 1 3 358.530 2.648 20 0 FFADHO CN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)[C@H]1c1ccccc1 ZINC000570182637 518483543 /nfs/dbraw/zinc/48/35/43/518483543.db2.gz XUHHONULOBAKRM-RBUKOAKNSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[N@H+](CCCNCCC(=O)Nc2ccc(Cl)cc2)CCCO1 ZINC000581880264 518483891 /nfs/dbraw/zinc/48/38/91/518483891.db2.gz ZLFWGXOTTDHBAN-OAHLLOKOSA-N 1 3 353.894 2.759 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNCCC(=O)Nc2ccc(Cl)cc2)CCCO1 ZINC000581880264 518483896 /nfs/dbraw/zinc/48/38/96/518483896.db2.gz ZLFWGXOTTDHBAN-OAHLLOKOSA-N 1 3 353.894 2.759 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCC(CC[NH3+])CC2)CCC1 ZINC000567478269 518546057 /nfs/dbraw/zinc/54/60/57/518546057.db2.gz MMIVIRQPZSEVFN-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000567521843 518566421 /nfs/dbraw/zinc/56/64/21/518566421.db2.gz WKILXWLUJHAXPO-UHFFFAOYSA-N 1 3 359.543 2.598 20 0 FFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000567653711 518634333 /nfs/dbraw/zinc/63/43/33/518634333.db2.gz KPGAHEHUBCMOON-LSKLOWJMSA-N 1 3 353.869 2.777 20 0 FFADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000570512750 518644916 /nfs/dbraw/zinc/64/49/16/518644916.db2.gz PETLEGKHEMGFNG-PZJWPPBQSA-N 1 3 364.493 2.529 20 0 FFADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c2ccccc21 ZINC000576626924 518683085 /nfs/dbraw/zinc/68/30/85/518683085.db2.gz TYTPYYWFCRXQGW-UPZYVNNASA-N 1 3 351.494 2.604 20 0 FFADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c2ccccc21 ZINC000576626923 518683740 /nfs/dbraw/zinc/68/37/40/518683740.db2.gz TYTPYYWFCRXQGW-GFRNBQLOSA-N 1 3 351.494 2.604 20 0 FFADHO CN(CCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000567781542 518706480 /nfs/dbraw/zinc/70/64/80/518706480.db2.gz IGHZKFUWHHHWCA-CBQGHPETSA-N 1 3 356.558 2.756 20 0 FFADHO CN(CCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000567781542 518706489 /nfs/dbraw/zinc/70/64/89/518706489.db2.gz IGHZKFUWHHHWCA-CBQGHPETSA-N 1 3 356.558 2.756 20 0 FFADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc2c1CCNC2 ZINC000576805903 518772262 /nfs/dbraw/zinc/77/22/62/518772262.db2.gz SQRYFQDOMCJIIZ-UHFFFAOYSA-N 1 3 365.481 2.765 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC1(c2ccccc2Br)CC1)C1CC1 ZINC000570795334 518783749 /nfs/dbraw/zinc/78/37/49/518783749.db2.gz QYDYGGDLCBKCGY-AWEZNQCLSA-N 1 3 353.304 2.525 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccccc2Br)CC1)C1CC1 ZINC000570795334 518783752 /nfs/dbraw/zinc/78/37/52/518783752.db2.gz QYDYGGDLCBKCGY-AWEZNQCLSA-N 1 3 353.304 2.525 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](C[C@@H](CN)c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990602 518819029 /nfs/dbraw/zinc/81/90/29/518819029.db2.gz MRNJLALSJADJGW-DOTOQJQBSA-N 1 3 373.463 2.944 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](C[C@@H](CN)c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990602 518819036 /nfs/dbraw/zinc/81/90/36/518819036.db2.gz MRNJLALSJADJGW-DOTOQJQBSA-N 1 3 373.463 2.944 20 0 FFADHO CCN(C[C@@H]1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990602 518819046 /nfs/dbraw/zinc/81/90/46/518819046.db2.gz MRNJLALSJADJGW-DOTOQJQBSA-N 1 3 373.463 2.944 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000582595114 518829100 /nfs/dbraw/zinc/82/91/00/518829100.db2.gz PYRUDYIZLVRVKL-OAGGEKHMSA-N 1 3 350.532 2.702 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000582595115 518829135 /nfs/dbraw/zinc/82/91/35/518829135.db2.gz PYRUDYIZLVRVKL-XHSDSOJGSA-N 1 3 350.532 2.702 20 0 FFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1nccs1 ZINC000565187758 518833024 /nfs/dbraw/zinc/83/30/24/518833024.db2.gz GCBRZSIGPDLOTO-KRWDZBQOSA-N 1 3 364.559 2.907 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3cccc(C)n3)CC2)CC1 ZINC000582675295 518869604 /nfs/dbraw/zinc/86/96/04/518869604.db2.gz DWHJOCRLTSDZFB-UHFFFAOYSA-N 1 3 372.557 2.635 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000579838199 518880458 /nfs/dbraw/zinc/88/04/58/518880458.db2.gz MKDWFVPFKWHNIX-IWLVTHKOSA-N 1 3 355.526 2.793 20 0 FFADHO COc1cc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccn1 ZINC000568238391 518943122 /nfs/dbraw/zinc/94/31/22/518943122.db2.gz UDYRQMUTOOKVGQ-KRWDZBQOSA-N 1 3 354.498 2.688 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[NH2+]C1CC1 ZINC000568240565 518945086 /nfs/dbraw/zinc/94/50/86/518945086.db2.gz RNTPOPGCUWDULG-IBGZPJMESA-N 1 3 367.497 2.719 20 0 FFADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000580088659 519002922 /nfs/dbraw/zinc/00/29/22/519002922.db2.gz RVSHZWRRDBICRZ-YXYSEUPNSA-N 1 3 370.541 2.717 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C1 ZINC000577279231 519003637 /nfs/dbraw/zinc/00/36/37/519003637.db2.gz FTEYVPGQRGQNMI-SFTDATJTSA-N 1 3 371.525 2.641 20 0 FFADHO CN1CCC[C@@H](CNC(=O)COC2CCC([NH3+])CC2)[C@@H]1c1cccs1 ZINC000574154564 519014190 /nfs/dbraw/zinc/01/41/90/519014190.db2.gz JICVAFMJVRIFMM-YHRBYZFPSA-N 1 3 365.543 2.534 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000583023101 519039877 /nfs/dbraw/zinc/03/98/77/519039877.db2.gz UUJCYBGANBGRDI-UHFFFAOYSA-N 1 3 358.461 2.558 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000589652115 519058905 /nfs/dbraw/zinc/05/89/05/519058905.db2.gz CFGDOWYNZARFQP-FQEVSTJZSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000571372138 519060925 /nfs/dbraw/zinc/06/09/25/519060925.db2.gz XKGCMDBENKYIJQ-IRXDYDNUSA-N 1 3 361.534 2.635 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000571372138 519060934 /nfs/dbraw/zinc/06/09/34/519060934.db2.gz XKGCMDBENKYIJQ-IRXDYDNUSA-N 1 3 361.534 2.635 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000583074134 519064632 /nfs/dbraw/zinc/06/46/32/519064632.db2.gz JEYMWZMTVPPRSX-IBGZPJMESA-N 1 3 358.530 2.985 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000574261649 519068505 /nfs/dbraw/zinc/06/85/05/519068505.db2.gz MYWCUUWZAMRTIM-OXJNMPFZSA-N 1 3 358.530 2.765 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000574261649 519068510 /nfs/dbraw/zinc/06/85/10/519068510.db2.gz MYWCUUWZAMRTIM-OXJNMPFZSA-N 1 3 358.530 2.765 20 0 FFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000580323807 519120021 /nfs/dbraw/zinc/12/00/21/519120021.db2.gz JPAOIGYLMSQSFG-JKSUJKDBSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc2c1OCCCO2 ZINC000580363636 519135149 /nfs/dbraw/zinc/13/51/49/519135149.db2.gz HDYGUFXOGBCKSP-IBGZPJMESA-N 1 3 361.530 2.696 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc2c1OCCCO2 ZINC000580363636 519135153 /nfs/dbraw/zinc/13/51/53/519135153.db2.gz HDYGUFXOGBCKSP-IBGZPJMESA-N 1 3 361.530 2.696 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000568644877 519147038 /nfs/dbraw/zinc/14/70/38/519147038.db2.gz UYFRPFPXBKQTNF-NRFANRHFSA-N 1 3 351.494 2.887 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000568644877 519147047 /nfs/dbraw/zinc/14/70/47/519147047.db2.gz UYFRPFPXBKQTNF-NRFANRHFSA-N 1 3 351.494 2.887 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3ccncc3)CC2)CC1 ZINC000574432602 519153928 /nfs/dbraw/zinc/15/39/28/519153928.db2.gz ARMDTPZRTQYPLV-QGZVFWFLSA-N 1 3 358.530 2.797 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000583312208 519183185 /nfs/dbraw/zinc/18/31/85/519183185.db2.gz PEIOJEYTMYUBDK-AABGKKOBSA-N 1 3 358.530 2.810 20 0 FFADHO CC1CCC([NH+]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)CC2)CC1 ZINC000565998644 519238666 /nfs/dbraw/zinc/23/86/66/519238666.db2.gz GHCOWCMTHMZBOK-UHFFFAOYSA-N 1 3 372.513 2.897 20 0 FFADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(OCCN(C)C)cc3)[C@H]2C1 ZINC000577776445 519251248 /nfs/dbraw/zinc/25/12/48/519251248.db2.gz VOUPMLPQPVPKEX-PWZKMPOXSA-N 1 3 373.541 2.925 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNCCC(=O)Nc1cccc(F)c1 ZINC000568870445 519260693 /nfs/dbraw/zinc/26/06/93/519260693.db2.gz AOKPVEJXQBYUPO-UHFFFAOYSA-N 1 3 359.445 2.885 20 0 FFADHO O=C1CC[C@@H](NCc2cnc(C3CCCC3)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000580629551 519272748 /nfs/dbraw/zinc/27/27/48/519272748.db2.gz TWRRKEJRGNQRRQ-AEFFLSMTSA-N 1 3 362.543 2.537 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CC(F)F)c1ccccc1 ZINC000566085795 519290338 /nfs/dbraw/zinc/29/03/38/519290338.db2.gz VPAKZVDUHUEPRU-INIZCTEOSA-N 1 3 356.461 2.518 20 0 FFADHO COc1cccc2cc([C@H](C)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)oc21 ZINC000566092332 519292347 /nfs/dbraw/zinc/29/23/47/519292347.db2.gz PACQQQBXAVADJW-OWZDWXTDSA-N 1 3 371.481 2.739 20 0 FFADHO C[N@H+](C[C@H](O)CNCC(C)(C)c1ccccc1Br)C1CC1 ZINC000566114084 519309998 /nfs/dbraw/zinc/30/99/98/519309998.db2.gz ACFVRQDCOYCXRB-CQSZACIVSA-N 1 3 355.320 2.771 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC(C)(C)c1ccccc1Br)C1CC1 ZINC000566114084 519310005 /nfs/dbraw/zinc/31/00/05/519310005.db2.gz ACFVRQDCOYCXRB-CQSZACIVSA-N 1 3 355.320 2.771 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C[C@@H]1C[NH3+] ZINC000580704067 519311818 /nfs/dbraw/zinc/31/18/18/519311818.db2.gz CVYBENXPINLMQJ-MUQADHOPSA-N 1 3 364.559 2.757 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC2CC[NH2+]CC2)N(CC)CC)cc1 ZINC000580704561 519313960 /nfs/dbraw/zinc/31/39/60/519313960.db2.gz KSTOPKNJWRCLGV-FQEVSTJZSA-N 1 3 360.546 2.931 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000571865653 519315577 /nfs/dbraw/zinc/31/55/77/519315577.db2.gz YNOGOFGHKFGJIO-UHFFFAOYSA-N 1 3 373.545 2.991 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC(C[NH3+])CC2)[C@@H]1c1cccs1 ZINC000583682969 519379010 /nfs/dbraw/zinc/37/90/10/519379010.db2.gz YSBZQYOJYGFEAS-NVXWUHKLSA-N 1 3 350.532 2.511 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580882625 519407617 /nfs/dbraw/zinc/40/76/17/519407617.db2.gz GCHAJKUJAWXGKB-LRGNLBRXSA-N 1 3 370.541 2.584 20 0 FFADHO O=C1[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccccc1C(F)(F)F ZINC000581011492 519477810 /nfs/dbraw/zinc/47/78/10/519477810.db2.gz FADMXAJZUZAQPV-JKIFEVAISA-N 1 3 367.415 2.742 20 0 FFADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000569360790 519511333 /nfs/dbraw/zinc/51/13/33/519511333.db2.gz RHAPZZYNYARWRN-PMACEKPBSA-N 1 3 355.526 2.888 20 0 FFADHO C[NH+](C)CCOc1cnccc1CNC1CC(OCc2ccccc2)C1 ZINC000583958147 519517990 /nfs/dbraw/zinc/51/79/90/519517990.db2.gz CIMRJRDQQLABJN-UHFFFAOYSA-N 1 3 355.482 2.859 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccncc1OCCN(C)C)CC2 ZINC000575157039 519531005 /nfs/dbraw/zinc/53/10/05/519531005.db2.gz KJTPIRRBBOCJPQ-LJQANCHMSA-N 1 3 355.482 2.678 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)CCN1Cc1ccccc1 ZINC000575322815 519587989 /nfs/dbraw/zinc/58/79/89/519587989.db2.gz WGDGZTNEZRNZLN-PXNSSMCTSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)c1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000608501737 520005476 /nfs/dbraw/zinc/00/54/76/520005476.db2.gz UICMAKHEMQTRHA-UHFFFAOYSA-N 1 3 374.573 2.669 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000608691743 520084445 /nfs/dbraw/zinc/08/44/45/520084445.db2.gz BXRSWGIPFAFFEQ-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000616714966 520102123 /nfs/dbraw/zinc/10/21/23/520102123.db2.gz GSTHSBYSXCZRAA-NJDAHSKKSA-N 1 3 355.526 2.999 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000616993368 520263420 /nfs/dbraw/zinc/26/34/20/520263420.db2.gz HFHBAYDUOGJPOR-MOPGFXCFSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000616993368 520263430 /nfs/dbraw/zinc/26/34/30/520263430.db2.gz HFHBAYDUOGJPOR-MOPGFXCFSA-N 1 3 358.530 2.530 20 0 FFADHO CSC1(CNC(=O)N(C)CCCC[NH+]2CCCCC2)CCN(C)CC1 ZINC000603437190 520265309 /nfs/dbraw/zinc/26/53/09/520265309.db2.gz WDBVGENNMWGGBM-UHFFFAOYSA-N 1 3 370.607 2.721 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(CNC2CC[NH+](CC3CC3)CC2)CC1 ZINC000600715564 520415942 /nfs/dbraw/zinc/41/59/42/520415942.db2.gz HBJOHYCLHKSXOI-UHFFFAOYSA-N 1 3 366.546 2.713 20 0 FFADHO C[C@H](C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000600714599 520416149 /nfs/dbraw/zinc/41/61/49/520416149.db2.gz AMOQXTRGRHVXDE-ZRZPHAQCSA-N 1 3 354.535 2.571 20 0 FFADHO C[C@H](CNCC1(O)CCC(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000600714599 520416157 /nfs/dbraw/zinc/41/61/57/520416157.db2.gz AMOQXTRGRHVXDE-ZRZPHAQCSA-N 1 3 354.535 2.571 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000604107132 520451452 /nfs/dbraw/zinc/45/14/52/520451452.db2.gz LRHBKFQIUQKCOJ-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000604205273 520487287 /nfs/dbraw/zinc/48/72/87/520487287.db2.gz KSFJSQIMHOBTAT-HXUWFJFHSA-N 1 3 370.541 2.573 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000604205273 520487296 /nfs/dbraw/zinc/48/72/96/520487296.db2.gz KSFJSQIMHOBTAT-HXUWFJFHSA-N 1 3 370.541 2.573 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCC(C)CC2)C1 ZINC000600853633 520499277 /nfs/dbraw/zinc/49/92/77/520499277.db2.gz DAPDGVSMWKCPRW-SFHVURJKSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCC(C)CC2)C1 ZINC000600853633 520499283 /nfs/dbraw/zinc/49/92/83/520499283.db2.gz DAPDGVSMWKCPRW-SFHVURJKSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000600858499 520501266 /nfs/dbraw/zinc/50/12/66/520501266.db2.gz MEBBBSQWPCHEHJ-IBGZPJMESA-N 1 3 368.525 2.938 20 0 FFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000600858499 520501271 /nfs/dbraw/zinc/50/12/71/520501271.db2.gz MEBBBSQWPCHEHJ-IBGZPJMESA-N 1 3 368.525 2.938 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000617505806 520542161 /nfs/dbraw/zinc/54/21/61/520542161.db2.gz QTFKEHRJUFIWRU-SFHVURJKSA-N 1 3 360.546 2.679 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000617505806 520542166 /nfs/dbraw/zinc/54/21/66/520542166.db2.gz QTFKEHRJUFIWRU-SFHVURJKSA-N 1 3 360.546 2.679 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000610429509 520679675 /nfs/dbraw/zinc/67/96/75/520679675.db2.gz ZMLXPLKCGKMWFJ-IBGZPJMESA-N 1 3 363.571 2.794 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000601243887 520704923 /nfs/dbraw/zinc/70/49/23/520704923.db2.gz VKYBGIJCNDOWNZ-VQTJNVASSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000617974424 520812401 /nfs/dbraw/zinc/81/24/01/520812401.db2.gz LSWJRDGCNIUYLR-UHFFFAOYSA-N 1 3 370.541 2.674 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614661580 521077743 /nfs/dbraw/zinc/07/77/43/521077743.db2.gz RANQVFZMWXDWHI-IAGOWNOFSA-N 1 3 352.482 2.756 20 0 FFADHO CCS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596454005 521080050 /nfs/dbraw/zinc/08/00/50/521080050.db2.gz ADVHFKKCMVHOEF-GVDBMIGSSA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596454005 521080054 /nfs/dbraw/zinc/08/00/54/521080054.db2.gz ADVHFKKCMVHOEF-GVDBMIGSSA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596459219 521083816 /nfs/dbraw/zinc/08/38/16/521083816.db2.gz LBMNQYOOHJODAZ-BBWFWOEESA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596459219 521083824 /nfs/dbraw/zinc/08/38/24/521083824.db2.gz LBMNQYOOHJODAZ-BBWFWOEESA-N 1 3 358.596 2.622 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000606622221 521109757 /nfs/dbraw/zinc/10/97/57/521109757.db2.gz ZUHRULDKDRUFSL-OXQOHEQNSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606701237 521141425 /nfs/dbraw/zinc/14/14/25/521141425.db2.gz YWZMZSUPEIFLRW-KRWDZBQOSA-N 1 3 352.567 2.870 20 0 FFADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000606704016 521142699 /nfs/dbraw/zinc/14/26/99/521142699.db2.gz LRAOYQLJCUQGTE-HXUWFJFHSA-N 1 3 362.562 2.768 20 0 FFADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000606704016 521142709 /nfs/dbraw/zinc/14/27/09/521142709.db2.gz LRAOYQLJCUQGTE-HXUWFJFHSA-N 1 3 362.562 2.768 20 0 FFADHO CC(C)C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)C(=O)OC(C)(C)C ZINC000602694464 521483165 /nfs/dbraw/zinc/48/31/65/521483165.db2.gz NJGCZMZHDIRFGQ-INIZCTEOSA-N 1 3 356.551 2.815 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625944244 521800078 /nfs/dbraw/zinc/80/00/78/521800078.db2.gz SJVOIMSXOYQHOV-MRXNPFEDSA-N 1 3 360.502 2.945 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625944244 521800084 /nfs/dbraw/zinc/80/00/84/521800084.db2.gz SJVOIMSXOYQHOV-MRXNPFEDSA-N 1 3 360.502 2.945 20 0 FFADHO COc1ccccc1NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635004331 521860561 /nfs/dbraw/zinc/86/05/61/521860561.db2.gz HZXNAMTWKVNLKJ-SJLPKXTDSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635004331 521860572 /nfs/dbraw/zinc/86/05/72/521860572.db2.gz HZXNAMTWKVNLKJ-SJLPKXTDSA-N 1 3 355.482 2.962 20 0 FFADHO CN1CC[C@@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000623355285 521960792 /nfs/dbraw/zinc/96/07/92/521960792.db2.gz IICHDWUXWDIIRB-OAQYLSRUSA-N 1 3 358.574 2.657 20 0 FFADHO CCN1CCN(Cc2ccc(CN[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623360050 521962271 /nfs/dbraw/zinc/96/22/71/521962271.db2.gz RRTXFIGSWQHFGU-OAQYLSRUSA-N 1 3 358.574 2.787 20 0 FFADHO CCN1CCN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623360050 521962279 /nfs/dbraw/zinc/96/22/79/521962279.db2.gz RRTXFIGSWQHFGU-OAQYLSRUSA-N 1 3 358.574 2.787 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623360158 521962918 /nfs/dbraw/zinc/96/29/18/521962918.db2.gz YDWZGYNROHKXBI-OAQYLSRUSA-N 1 3 358.574 2.787 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623360158 521962925 /nfs/dbraw/zinc/96/29/25/521962925.db2.gz YDWZGYNROHKXBI-OAQYLSRUSA-N 1 3 358.574 2.787 20 0 FFADHO CN1CC[C@H](C[NH2+]C[C@@H](O)CN2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000629573556 522324822 /nfs/dbraw/zinc/32/48/22/522324822.db2.gz FNQSTSHCMISZPU-GPMSIDNRSA-N 1 3 369.912 2.518 20 0 FFADHO CN1CC[C@H](CNC[C@@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000629573556 522324831 /nfs/dbraw/zinc/32/48/31/522324831.db2.gz FNQSTSHCMISZPU-GPMSIDNRSA-N 1 3 369.912 2.518 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000620662488 522342424 /nfs/dbraw/zinc/34/24/24/522342424.db2.gz SHNRWAMEDHBCPA-RTWAWAEBSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000620662488 522342429 /nfs/dbraw/zinc/34/24/29/522342429.db2.gz SHNRWAMEDHBCPA-RTWAWAEBSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(-c2ccccc2)n(C)n1 ZINC000623891429 522350608 /nfs/dbraw/zinc/35/06/08/522350608.db2.gz MGIHKDCNEMALSI-MJGOQNOKSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(-c2ccccc2)n(C)n1 ZINC000623891429 522350615 /nfs/dbraw/zinc/35/06/15/522350615.db2.gz MGIHKDCNEMALSI-MJGOQNOKSA-N 1 3 356.514 2.975 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000632950585 522422535 /nfs/dbraw/zinc/42/25/35/522422535.db2.gz DOHHGTZUTKUUKE-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(OCCN(C)C)c1 ZINC000624194507 522536609 /nfs/dbraw/zinc/53/66/09/522536609.db2.gz JQAYJQKIUPYQJT-DLVCFXQMSA-N 1 3 371.481 2.908 20 0 FFADHO CN(CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000629980664 522566101 /nfs/dbraw/zinc/56/61/01/522566101.db2.gz RVULNCPEPUSXPP-CEWLAPEOSA-N 1 3 355.526 2.888 20 0 FFADHO CN(CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000629980664 522566103 /nfs/dbraw/zinc/56/61/03/522566103.db2.gz RVULNCPEPUSXPP-CEWLAPEOSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C[NH2+]1 ZINC000626984576 522572358 /nfs/dbraw/zinc/57/23/58/522572358.db2.gz IOIOZIDCSIKJGV-WBTNSWJXSA-N 1 3 350.532 2.571 20 0 FFADHO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000624305260 522599844 /nfs/dbraw/zinc/59/98/44/522599844.db2.gz ZNXKJOYTUZYTID-FDPIWHGQSA-N 1 3 356.470 2.708 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C[NH2+]1 ZINC000627029772 522603233 /nfs/dbraw/zinc/60/32/33/522603233.db2.gz AFWSSBMNIDLLTL-NEWSRXKRSA-N 1 3 358.530 2.727 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000624385424 522651535 /nfs/dbraw/zinc/65/15/35/522651535.db2.gz CXHIGTKWAQNWFI-PMACEKPBSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000624385424 522651546 /nfs/dbraw/zinc/65/15/46/522651546.db2.gz CXHIGTKWAQNWFI-PMACEKPBSA-N 1 3 370.541 2.682 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000627168866 522692802 /nfs/dbraw/zinc/69/28/02/522692802.db2.gz JTBDFLAKJMBZBX-DLBZAZTESA-N 1 3 352.910 2.554 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C[NH2+]1 ZINC000627194159 522708196 /nfs/dbraw/zinc/70/81/96/522708196.db2.gz CPNKMIJIYIKZOF-PBHICJAKSA-N 1 3 352.910 2.554 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000624616529 522824301 /nfs/dbraw/zinc/82/43/01/522824301.db2.gz DAHGAHDLMFXJJR-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000624616529 522824309 /nfs/dbraw/zinc/82/43/09/522824309.db2.gz DAHGAHDLMFXJJR-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000633613522 522874867 /nfs/dbraw/zinc/87/48/67/522874867.db2.gz ALWIOIUSUIZOEL-ZNMIVQPWSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000633613522 522874879 /nfs/dbraw/zinc/87/48/79/522874879.db2.gz ALWIOIUSUIZOEL-ZNMIVQPWSA-N 1 3 351.457 2.743 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656722 522999303 /nfs/dbraw/zinc/99/93/03/522999303.db2.gz VYRFPEHHPOHKQU-OAHLLOKOSA-N 1 3 353.457 2.635 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cn2)CC1 ZINC000634096984 523184307 /nfs/dbraw/zinc/18/43/07/523184307.db2.gz RGKQQSYYSBXTBD-CABCVRRESA-N 1 3 374.407 2.836 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000622044426 523235924 /nfs/dbraw/zinc/23/59/24/523235924.db2.gz FLTJWFBBYCDASL-RTBURBONSA-N 1 3 353.466 2.577 20 0 FFADHO O[C@]1(CNCc2ccccc2-n2ccnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634709330 523597047 /nfs/dbraw/zinc/59/70/47/523597047.db2.gz HNMVTPVIBXFWFN-QFIPXVFZSA-N 1 3 362.477 2.599 20 0 FFADHO O[C@]1(CNCc2ccccc2-n2ccnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709330 523597054 /nfs/dbraw/zinc/59/70/54/523597054.db2.gz HNMVTPVIBXFWFN-QFIPXVFZSA-N 1 3 362.477 2.599 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CCN1C ZINC000625801749 523699701 /nfs/dbraw/zinc/69/97/01/523699701.db2.gz KPQPLMKDNUTPJQ-NASSWSRMSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CCN1C ZINC000625801749 523699707 /nfs/dbraw/zinc/69/97/07/523699707.db2.gz KPQPLMKDNUTPJQ-NASSWSRMSA-N 1 3 355.526 2.744 20 0 FFADHO CC[C@@H]1CN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[C@H]1[NH3+] ZINC000669111181 567910012 /nfs/dbraw/zinc/91/00/12/567910012.db2.gz FKZPZLOLUHFJCL-YLJYHZDGSA-N 1 3 358.530 2.728 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835715 720513758 /nfs/dbraw/zinc/51/37/58/720513758.db2.gz KIJRZFLRBLAKDO-CEXWTWQISA-N 1 3 368.529 2.722 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835715 720513764 /nfs/dbraw/zinc/51/37/64/720513764.db2.gz KIJRZFLRBLAKDO-CEXWTWQISA-N 1 3 368.529 2.722 20 0 FFADHO Nc1cccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)[nH+]1 ZINC001164905979 721694266 /nfs/dbraw/zinc/69/42/66/721694266.db2.gz KMONGDYJBGOEMG-GOSISDBHSA-N 1 3 359.424 2.797 20 0 FFADHO C[NH+]1CCN(c2ccc(CN[C@@H]3CCc4c3nccc4Cl)cn2)CC1 ZINC000924624914 738435242 /nfs/dbraw/zinc/43/52/42/738435242.db2.gz DDEXLWPJCUNAJV-QGZVFWFLSA-N 1 3 357.889 2.659 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000638839679 730048085 /nfs/dbraw/zinc/04/80/85/730048085.db2.gz FBJOFMUMZGPQCU-QGZVFWFLSA-N 1 3 351.922 2.744 20 0 FFADHO O=C(CCNCC1([NH+]2CCCC2)CCOCC1)Nc1ccc(Cl)cc1 ZINC000644547279 730480959 /nfs/dbraw/zinc/48/09/59/730480959.db2.gz BRXRNSOKJPXQTD-UHFFFAOYSA-N 1 3 365.905 2.903 20 0 FFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1cccc(Br)c1 ZINC000647814830 730764248 /nfs/dbraw/zinc/76/42/48/730764248.db2.gz HYDNDOFJAZJBNL-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1cccc(Br)c1 ZINC000647814830 730764252 /nfs/dbraw/zinc/76/42/52/730764252.db2.gz HYDNDOFJAZJBNL-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1cccc(Br)c1 ZINC000647814830 730764255 /nfs/dbraw/zinc/76/42/55/730764255.db2.gz HYDNDOFJAZJBNL-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO COCC[C@H](CNC1CC[NH+](C2CCC2)CC1)NC(=O)OC(C)(C)C ZINC000865434763 730954786 /nfs/dbraw/zinc/95/47/86/730954786.db2.gz QXQGHVUMJKFJII-MRXNPFEDSA-N 1 3 355.523 2.523 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000650705356 731022111 /nfs/dbraw/zinc/02/21/11/731022111.db2.gz FDTOETMUFJUFHX-INMHGKMJSA-N 1 3 366.889 2.830 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652311511 731181680 /nfs/dbraw/zinc/18/16/80/731181680.db2.gz OFIBUKLLLSKYFC-UHFFFAOYSA-N 1 3 366.937 2.803 20 0 FFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000652352118 731186361 /nfs/dbraw/zinc/18/63/61/731186361.db2.gz HOGDSGDZWDZIHY-GUYCJALGSA-N 1 3 366.303 2.839 20 0 FFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000652352118 731186364 /nfs/dbraw/zinc/18/63/64/731186364.db2.gz HOGDSGDZWDZIHY-GUYCJALGSA-N 1 3 366.303 2.839 20 0 FFADHO Brc1ccsc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925763322 738528519 /nfs/dbraw/zinc/52/85/19/738528519.db2.gz SAKMJVXKSJHWBC-KWCYVHTRSA-N 1 3 359.333 2.800 20 0 FFADHO CSc1ccc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925855057 738537723 /nfs/dbraw/zinc/53/77/23/738537723.db2.gz SSRKWWVMUNYILO-TZMCWYRMSA-N 1 3 352.475 2.884 20 0 FFADHO CC[C@H]([NH2+]Cc1ccnn1-c1ccncc1)C(=O)NCc1cccs1 ZINC000657498953 731784591 /nfs/dbraw/zinc/78/45/91/731784591.db2.gz PGRNVSXCBDBRKD-KRWDZBQOSA-N 1 3 355.467 2.513 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCN(CC2CC2)CC1 ZINC000658354644 731868338 /nfs/dbraw/zinc/86/83/38/731868338.db2.gz DZWPDYQSZQWTHY-MRXNPFEDSA-N 1 3 350.528 2.560 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873249361 731895576 /nfs/dbraw/zinc/89/55/76/731895576.db2.gz MSTVAYXBOQSFJC-QGPMSJSTSA-N 1 3 359.495 2.504 20 0 FFADHO CCC[N@H+](C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(Cl)cc1 ZINC000659491853 731981914 /nfs/dbraw/zinc/98/19/14/731981914.db2.gz DQARZAXTUJFIIF-ZACQAIPSSA-N 1 3 370.900 2.804 20 0 FFADHO CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(Cl)cc1 ZINC000659491853 731981916 /nfs/dbraw/zinc/98/19/16/731981916.db2.gz DQARZAXTUJFIIF-ZACQAIPSSA-N 1 3 370.900 2.804 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCN3C[C@@H](C)O[C@H](C)C3)C2)s1 ZINC000660497912 732115516 /nfs/dbraw/zinc/11/55/16/732115516.db2.gz SZEIJIKQFIBOIU-ZHALLVOQSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCN3C[C@@H](C)O[C@H](C)C3)C2)s1 ZINC000660497912 732115518 /nfs/dbraw/zinc/11/55/18/732115518.db2.gz SZEIJIKQFIBOIU-ZHALLVOQSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCN3C[C@@H](C)O[C@H](C)C3)C2)s1 ZINC000660497912 732115520 /nfs/dbraw/zinc/11/55/20/732115520.db2.gz SZEIJIKQFIBOIU-ZHALLVOQSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCN3C[C@@H](C)O[C@H](C)C3)C2)s1 ZINC000660497912 732115522 /nfs/dbraw/zinc/11/55/22/732115522.db2.gz SZEIJIKQFIBOIU-ZHALLVOQSA-N 1 3 365.587 2.919 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000875358603 732147322 /nfs/dbraw/zinc/14/73/22/732147322.db2.gz AGRGTIQBHHGGNG-WMZOPIPTSA-N 1 3 350.551 2.621 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000876753333 732276803 /nfs/dbraw/zinc/27/68/03/732276803.db2.gz CRSDGYJRSAQWNL-INIZCTEOSA-N 1 3 362.543 2.619 20 0 FFADHO CCOc1cc(CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)ccc1OC(F)F ZINC000662251117 732288610 /nfs/dbraw/zinc/28/86/10/732288610.db2.gz ZEBAEFTZZSCDTE-CQSZACIVSA-N 1 3 356.413 2.640 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCSc1cccc(Cl)c1 ZINC000662273410 732291694 /nfs/dbraw/zinc/29/16/94/732291694.db2.gz WEEBURRWBBXDRQ-OAHLLOKOSA-N 1 3 355.935 2.752 20 0 FFADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)CCNC2 ZINC000662354804 732301791 /nfs/dbraw/zinc/30/17/91/732301791.db2.gz DWQSWLGGDPEZOT-UHFFFAOYSA-N 1 3 355.507 2.788 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2c(s1)CCNC2 ZINC000662357123 732302196 /nfs/dbraw/zinc/30/21/96/732302196.db2.gz ZLXDJTVBQGUEDX-UHFFFAOYSA-N 1 3 355.507 2.920 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc2c(s1)CCNC2 ZINC000662525401 732329769 /nfs/dbraw/zinc/32/97/69/732329769.db2.gz SNICEAURJACABT-UHFFFAOYSA-N 1 3 355.507 2.920 20 0 FFADHO Brc1ccccc1CN1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663498219 732450778 /nfs/dbraw/zinc/45/07/78/732450778.db2.gz NKJIUPYQCWIEFY-UHFFFAOYSA-N 1 3 364.331 2.755 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cccc(Br)n1 ZINC000926687183 738644956 /nfs/dbraw/zinc/64/49/56/738644956.db2.gz VXDNBZBCAVSYST-KBPBESRZSA-N 1 3 357.340 2.767 20 0 FFADHO COc1cc(C)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000666906445 732914775 /nfs/dbraw/zinc/91/47/75/732914775.db2.gz SNUJRHBTMIYZOT-HNNXBMFYSA-N 1 3 350.507 2.706 20 0 FFADHO COc1cc(C)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000666906445 732914779 /nfs/dbraw/zinc/91/47/79/732914779.db2.gz SNUJRHBTMIYZOT-HNNXBMFYSA-N 1 3 350.507 2.706 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccco1 ZINC000673142675 733589676 /nfs/dbraw/zinc/58/96/76/733589676.db2.gz NAMJIMNJZXAYDJ-YESZJQIVSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccco1 ZINC000673142673 733589721 /nfs/dbraw/zinc/58/97/21/733589721.db2.gz NAMJIMNJZXAYDJ-GVDBMIGSSA-N 1 3 350.507 2.881 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)N(C)C)cc1 ZINC000891922042 734495185 /nfs/dbraw/zinc/49/51/85/734495185.db2.gz BZZCUUVJRCHLGM-YQVWRLOYSA-N 1 3 362.543 2.595 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1OCC(F)F ZINC000894766558 734913260 /nfs/dbraw/zinc/91/32/60/734913260.db2.gz QAVQXFUTRGYNAY-UHFFFAOYSA-N 1 3 355.473 2.788 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000902328771 735933165 /nfs/dbraw/zinc/93/31/65/735933165.db2.gz NGJBVARTAUEMDV-UKRRQHHQSA-N 1 3 354.878 2.512 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000902389916 735941145 /nfs/dbraw/zinc/94/11/45/735941145.db2.gz ZLJJFZIGZXSCKY-HNNXBMFYSA-N 1 3 358.935 2.872 20 0 FFADHO CN(c1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1)S(C)(=O)=O ZINC000902515825 735954936 /nfs/dbraw/zinc/95/49/36/735954936.db2.gz YGSZFATVLYQHPY-LJQANCHMSA-N 1 3 361.511 2.652 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=S)NCCC[NH+](C)C)CC2)CC1 ZINC000753158052 736041727 /nfs/dbraw/zinc/04/17/27/736041727.db2.gz DHMMSFCFFQPERO-UHFFFAOYSA-N 1 3 354.608 2.645 20 0 FFADHO Clc1cncc(Cl)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505661 736103335 /nfs/dbraw/zinc/10/33/35/736103335.db2.gz GWOANFPOBCXJBG-OKILXGFUSA-N 1 3 355.313 2.789 20 0 FFADHO Brc1ccc2c(c1)[C@@H](NC[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CCO2 ZINC000903786988 736166831 /nfs/dbraw/zinc/16/68/31/736166831.db2.gz SNMMTZKTAKQWMW-QRTARXTBSA-N 1 3 367.287 2.631 20 0 FFADHO Cc1c(C[C@H](CN)C[NH2+]CCc2ccccc2C(F)(F)F)cnn1C ZINC000903921544 736189104 /nfs/dbraw/zinc/18/91/04/736189104.db2.gz OYZRYAJHDGBDOF-CQSZACIVSA-N 1 3 354.420 2.697 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000905069008 736292472 /nfs/dbraw/zinc/29/24/72/736292472.db2.gz AJELPQBTMZKDFH-WSTZPKSXSA-N 1 3 354.535 2.571 20 0 FFADHO CC1CCN([C@@H](CNC(=S)NCCC[NH+](C)C)c2cccs2)CC1 ZINC000916546144 737709890 /nfs/dbraw/zinc/70/98/90/737709890.db2.gz QDXJNBHLIXINMO-INIZCTEOSA-N 1 3 368.616 2.937 20 0 FFADHO Brc1c[nH]c(CNCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000921960888 738074350 /nfs/dbraw/zinc/07/43/50/738074350.db2.gz LIAQEXBVXIJSTN-UHFFFAOYSA-N 1 3 350.264 2.573 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc3c1OCC3)C2 ZINC000922386240 738135018 /nfs/dbraw/zinc/13/50/18/738135018.db2.gz FIFNFTUDWXFNKV-IZBJGVDFSA-N 1 3 364.917 2.844 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc3c1OCC3)C2 ZINC000922386240 738135021 /nfs/dbraw/zinc/13/50/21/738135021.db2.gz FIFNFTUDWXFNKV-IZBJGVDFSA-N 1 3 364.917 2.844 20 0 FFADHO CCN(CC)c1ncc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922389775 738135472 /nfs/dbraw/zinc/13/54/72/738135472.db2.gz WNBCTSQWZBZFKH-VXIBKDFQSA-N 1 3 366.575 2.559 20 0 FFADHO CCN(CC)c1ncc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922389775 738135475 /nfs/dbraw/zinc/13/54/75/738135475.db2.gz WNBCTSQWZBZFKH-VXIBKDFQSA-N 1 3 366.575 2.559 20 0 FFADHO CCCCOC[C@H](O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923340424 738273729 /nfs/dbraw/zinc/27/37/29/738273729.db2.gz DNTLQCWCNRSWRA-MSOLQXFVSA-N 1 3 352.544 2.870 20 0 FFADHO CCCC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034607 739202372 /nfs/dbraw/zinc/20/23/72/739202372.db2.gz UZSUMBWQMPRQJV-INIZCTEOSA-N 1 3 373.607 2.679 20 0 FFADHO CCCC[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034607 739202374 /nfs/dbraw/zinc/20/23/74/739202374.db2.gz UZSUMBWQMPRQJV-INIZCTEOSA-N 1 3 373.607 2.679 20 0 FFADHO C[C@H]1[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000806607620 741074618 /nfs/dbraw/zinc/07/46/18/741074618.db2.gz LNLQVLQLMGGXIC-WMZOPIPTSA-N 1 3 362.587 2.701 20 0 FFADHO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812902516 741661020 /nfs/dbraw/zinc/66/10/20/741661020.db2.gz KYMWIOMYKMXPMS-LJQANCHMSA-N 1 3 351.466 2.908 20 0 FFADHO Cn1ncc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)c1Cl ZINC000815116045 741903247 /nfs/dbraw/zinc/90/32/47/741903247.db2.gz YBZWIKJHWCVHFR-UHFFFAOYSA-N 1 3 361.921 2.766 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC000999189068 742054499 /nfs/dbraw/zinc/05/44/99/742054499.db2.gz HMOACUWPWRNARS-VNQPRFMTSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC000999189068 742054501 /nfs/dbraw/zinc/05/45/01/742054501.db2.gz HMOACUWPWRNARS-VNQPRFMTSA-N 1 3 367.896 2.900 20 0 FFADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000819173992 742347849 /nfs/dbraw/zinc/34/78/49/742347849.db2.gz NJOMKBVESDTXET-FHWLQOOXSA-N 1 3 352.906 2.731 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(CCC(F)(F)F)CC3)CC[N@@H+]1C ZINC001016631838 742492268 /nfs/dbraw/zinc/49/22/68/742492268.db2.gz ZXVIKNXVRZZGMS-ZNMIVQPWSA-N 1 3 361.452 2.640 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(CCC(F)(F)F)CC3)CC[N@H+]1C ZINC001016631838 742492272 /nfs/dbraw/zinc/49/22/72/742492272.db2.gz ZXVIKNXVRZZGMS-ZNMIVQPWSA-N 1 3 361.452 2.640 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001018871191 742515821 /nfs/dbraw/zinc/51/58/21/742515821.db2.gz YSQRNEDPQFQGDA-AEGPPILISA-N 1 3 355.935 2.822 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001018871191 742515824 /nfs/dbraw/zinc/51/58/24/742515824.db2.gz YSQRNEDPQFQGDA-AEGPPILISA-N 1 3 355.935 2.822 20 0 FFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001022105211 742643860 /nfs/dbraw/zinc/64/38/60/742643860.db2.gz URXJFLBMRLQSJC-FHXAZYNBSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001022105211 742643865 /nfs/dbraw/zinc/64/38/65/742643865.db2.gz URXJFLBMRLQSJC-FHXAZYNBSA-N 1 3 351.441 2.603 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)Cc3cncs3)CC2)CC[N@@H+]1C ZINC001029966073 742823686 /nfs/dbraw/zinc/82/36/86/742823686.db2.gz KAROAIONZRZDOK-ZWKOTPCHSA-N 1 3 364.559 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)Cc3cncs3)CC2)CC[N@H+]1C ZINC001029966073 742823692 /nfs/dbraw/zinc/82/36/92/742823692.db2.gz KAROAIONZRZDOK-ZWKOTPCHSA-N 1 3 364.559 2.544 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CN(CCCc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001031681338 742843027 /nfs/dbraw/zinc/84/30/27/742843027.db2.gz NJLPCDKEDYTGQU-DNVCBOLYSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CN(CCCc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001031681338 742843035 /nfs/dbraw/zinc/84/30/35/742843035.db2.gz NJLPCDKEDYTGQU-DNVCBOLYSA-N 1 3 363.933 2.661 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccnc(Cl)c3)CC2)CC1 ZINC000823626860 742950584 /nfs/dbraw/zinc/95/05/84/742950584.db2.gz PCSTVQIIJHMQES-UHFFFAOYSA-N 1 3 364.921 2.548 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000825965642 743349948 /nfs/dbraw/zinc/34/99/48/743349948.db2.gz ZTKIPJILBKIUEM-HOCLYGCPSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000825965642 743349960 /nfs/dbraw/zinc/34/99/60/743349960.db2.gz ZTKIPJILBKIUEM-HOCLYGCPSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000827414736 743571569 /nfs/dbraw/zinc/57/15/69/743571569.db2.gz GPCGGWBVDWYNHG-CVEARBPZSA-N 1 3 350.894 2.520 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827814486 744983171 /nfs/dbraw/zinc/98/31/71/744983171.db2.gz GBVPACKHIVQUHV-GDBMZVCRSA-N 1 3 352.910 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(C/C=C\Cl)C3)C2)CC[N@@H+]1C ZINC001054135884 745003455 /nfs/dbraw/zinc/00/34/55/745003455.db2.gz LFPCAGLLZVPOIH-SGPBDXGCSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(C/C=C\Cl)C3)C2)CC[N@H+]1C ZINC001054135884 745003459 /nfs/dbraw/zinc/00/34/59/745003459.db2.gz LFPCAGLLZVPOIH-SGPBDXGCSA-N 1 3 353.938 2.784 20 0 FFADHO [NH3+]CCCCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000830026282 745296459 /nfs/dbraw/zinc/29/64/59/745296459.db2.gz CQLYFBWIHFCPBI-UHFFFAOYSA-N 1 3 367.921 2.819 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCc2cccc(C[NH+](C)C)c2)cc(Cl)n1 ZINC000831840930 745592793 /nfs/dbraw/zinc/59/27/93/745592793.db2.gz WJRMZPMWJYHUPU-KRWDZBQOSA-N 1 3 360.889 2.811 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1c(Cl)cccc1Cl ZINC000849088060 749048007 /nfs/dbraw/zinc/04/80/07/749048007.db2.gz RYAKXGAZTIXDGG-RISCZKNCSA-N 1 3 359.301 2.625 20 0 FFADHO CC(C)C[C@@H](N)C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000849352663 749109836 /nfs/dbraw/zinc/10/98/36/749109836.db2.gz OXRAQLVQBROULI-JKSUJKDBSA-N 1 3 363.468 2.873 20 0 FFADHO CN(C)CCC[N@H+](C)CCNc1nc(C(F)(F)F)nc2ccccc21 ZINC000853798761 750167247 /nfs/dbraw/zinc/16/72/47/750167247.db2.gz KOHFWILJKFUYLV-UHFFFAOYSA-N 1 3 355.408 2.944 20 0 FFADHO CN(C)CCC[N@@H+](C)CCNc1nc(C(F)(F)F)nc2ccccc21 ZINC000853798761 750167249 /nfs/dbraw/zinc/16/72/49/750167249.db2.gz KOHFWILJKFUYLV-UHFFFAOYSA-N 1 3 355.408 2.944 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895694472 970847090 /nfs/dbraw/zinc/84/70/90/970847090.db2.gz VBVNFLVBOIFBQX-GSEOLPGOSA-N 1 3 362.489 2.978 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)CCc4ccccc43)CC2)CC1 ZINC000648757017 1013052633 /nfs/dbraw/zinc/05/26/33/1013052633.db2.gz VNSATXBJORVJKP-JOCHJYFZSA-N 1 3 355.526 2.565 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccncc2Cl)C1 ZINC001104874036 971060107 /nfs/dbraw/zinc/06/01/07/971060107.db2.gz LJRLLZSMKFHVNH-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccncc2Cl)C1 ZINC001104874036 971060120 /nfs/dbraw/zinc/06/01/20/971060120.db2.gz LJRLLZSMKFHVNH-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cc(F)ccc2F)C1 ZINC001104874625 971061077 /nfs/dbraw/zinc/06/10/77/971061077.db2.gz ZIZKBKBRUZUKQP-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cc(F)ccc2F)C1 ZINC001104874625 971061082 /nfs/dbraw/zinc/06/10/82/971061082.db2.gz ZIZKBKBRUZUKQP-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2c(F)cccc2F)C1 ZINC001104872542 971065131 /nfs/dbraw/zinc/06/51/31/971065131.db2.gz MVTQUWFXEYBHRW-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2c(F)cccc2F)C1 ZINC001104872542 971065143 /nfs/dbraw/zinc/06/51/43/971065143.db2.gz MVTQUWFXEYBHRW-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCc1nnn(C(C)(C)C)n1 ZINC000660270551 971571397 /nfs/dbraw/zinc/57/13/97/971571397.db2.gz UMVKLWMMDAAJDT-IRXDYDNUSA-N 1 3 370.545 2.717 20 0 FFADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001275856700 1013101227 /nfs/dbraw/zinc/10/12/27/1013101227.db2.gz IUAWDMCQMACEEK-DOTOQJQBSA-N 1 3 373.463 2.736 20 0 FFADHO CN(CCNCc1ccsc1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001481282335 971715675 /nfs/dbraw/zinc/71/56/75/971715675.db2.gz JGJGEPFZRMICJK-MOPGFXCFSA-N 1 3 357.523 2.642 20 0 FFADHO CN(CCNCc1ccsc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001481282335 971715681 /nfs/dbraw/zinc/71/56/81/971715681.db2.gz JGJGEPFZRMICJK-MOPGFXCFSA-N 1 3 357.523 2.642 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)cc1 ZINC001087995108 971745665 /nfs/dbraw/zinc/74/56/65/971745665.db2.gz SPOUEFHEPYGHOP-RTWAWAEBSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)cc1 ZINC001087995108 971745668 /nfs/dbraw/zinc/74/56/68/971745668.db2.gz SPOUEFHEPYGHOP-RTWAWAEBSA-N 1 3 369.553 2.802 20 0 FFADHO CN(CCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000660451574 971951869 /nfs/dbraw/zinc/95/18/69/971951869.db2.gz BKEHAENILZZPFO-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO CN(CCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000660451574 971951875 /nfs/dbraw/zinc/95/18/75/971951875.db2.gz BKEHAENILZZPFO-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c[nH]c2cccc(Cl)c12 ZINC001275877941 1013127837 /nfs/dbraw/zinc/12/78/37/1013127837.db2.gz HZSHFHJNOVVUAA-QZTJIDSGSA-N 1 3 374.916 2.948 20 0 FFADHO Cc1cc(C)cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974596804 972045291 /nfs/dbraw/zinc/04/52/91/972045291.db2.gz AMYPHWRUYZWJKH-MISYRCLQSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1cc(C)cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974596804 972045297 /nfs/dbraw/zinc/04/52/97/972045297.db2.gz AMYPHWRUYZWJKH-MISYRCLQSA-N 1 3 357.542 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1)CC(C)(C)C ZINC001275887775 1013140963 /nfs/dbraw/zinc/14/09/63/1013140963.db2.gz DESWDUSOEWXYEM-NQIIRXRSSA-N 1 3 367.578 2.561 20 0 FFADHO C[C@H](CC[N@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1)CC(C)(C)C ZINC001275887775 1013140967 /nfs/dbraw/zinc/14/09/67/1013140967.db2.gz DESWDUSOEWXYEM-NQIIRXRSSA-N 1 3 367.578 2.561 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCC(C)(C)c3ccccc3)C2)C1=O ZINC001275895490 1013155953 /nfs/dbraw/zinc/15/59/53/1013155953.db2.gz ZZSAIJJWAXCFAN-QFIPXVFZSA-N 1 3 357.542 2.840 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCC(C)(C)c3ccccc3)C2)C1=O ZINC001275895490 1013155964 /nfs/dbraw/zinc/15/59/64/1013155964.db2.gz ZZSAIJJWAXCFAN-QFIPXVFZSA-N 1 3 357.542 2.840 20 0 FFADHO COCCOCCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660663394 972466894 /nfs/dbraw/zinc/46/68/94/972466894.db2.gz NPROUGBWAUWXGF-NRFANRHFSA-N 1 3 362.514 2.646 20 0 FFADHO COCCOCCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660663394 972466902 /nfs/dbraw/zinc/46/69/02/972466902.db2.gz NPROUGBWAUWXGF-NRFANRHFSA-N 1 3 362.514 2.646 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000650178012 960044181 /nfs/dbraw/zinc/04/41/81/960044181.db2.gz YWGLSGOPRVCQSR-UHFFFAOYSA-N 1 3 374.573 2.925 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000650178012 960044192 /nfs/dbraw/zinc/04/41/92/960044192.db2.gz YWGLSGOPRVCQSR-UHFFFAOYSA-N 1 3 374.573 2.925 20 0 FFADHO OCC[C@H]1CCCN(CC(C[N@@H+]2CCC[C@H](CCO)C2)c2ccccc2)C1 ZINC000639476212 972522335 /nfs/dbraw/zinc/52/23/35/972522335.db2.gz BYCCUXOESNJILR-NHCUHLMSSA-N 1 3 374.569 2.959 20 0 FFADHO OCC[C@H]1CCCN(CC(C[N@H+]2CCC[C@H](CCO)C2)c2ccccc2)C1 ZINC000639476212 972522339 /nfs/dbraw/zinc/52/23/39/972522339.db2.gz BYCCUXOESNJILR-NHCUHLMSSA-N 1 3 374.569 2.959 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC001275991653 1013260879 /nfs/dbraw/zinc/26/08/79/1013260879.db2.gz NSDNVGYPBZMIKY-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001104287300 961811737 /nfs/dbraw/zinc/81/17/37/961811737.db2.gz BMPORSAHLBEMJQ-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO C[NH+]1CCC(NC(=O)CN(CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC001167377971 962518688 /nfs/dbraw/zinc/51/86/88/962518688.db2.gz XAACGLPBEDYCPP-UHFFFAOYSA-N 1 3 363.933 2.805 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3cccc(Cl)c3F)CC2)C1=O ZINC001276065199 1013396333 /nfs/dbraw/zinc/39/63/33/1013396333.db2.gz DNBUALLSYONJMN-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000960643867 1013437000 /nfs/dbraw/zinc/43/70/00/1013437000.db2.gz OBSKWOZAZSBHQR-HSALFYBXSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000960643867 1013437003 /nfs/dbraw/zinc/43/70/03/1013437003.db2.gz OBSKWOZAZSBHQR-HSALFYBXSA-N 1 3 361.505 2.979 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000891495738 964387667 /nfs/dbraw/zinc/38/76/67/964387667.db2.gz RXXTWUAKHNUCPK-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000891495738 964387678 /nfs/dbraw/zinc/38/76/78/964387678.db2.gz RXXTWUAKHNUCPK-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)o1 ZINC000647184595 964472404 /nfs/dbraw/zinc/47/24/04/964472404.db2.gz RGVNLYZWADVOAT-MRXNPFEDSA-N 1 3 358.486 2.579 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2cc(N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000891656692 964749329 /nfs/dbraw/zinc/74/93/29/964749329.db2.gz UQBNQCXIQDWWFA-CRAIPNDOSA-N 1 3 353.470 2.516 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2cc(N)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000891656692 964749335 /nfs/dbraw/zinc/74/93/35/964749335.db2.gz UQBNQCXIQDWWFA-CRAIPNDOSA-N 1 3 353.470 2.516 20 0 FFADHO C[C@@]1(CNC(=O)NCc2cc(N)ccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000891820449 965156913 /nfs/dbraw/zinc/15/69/13/965156913.db2.gz QKDVKHUMJGCRBU-FQEVSTJZSA-N 1 3 353.470 2.518 20 0 FFADHO C[C@@]1(CNC(=O)NCc2cc(N)ccn2)CCC[N@H+]1Cc1ccccc1 ZINC000891820449 965156919 /nfs/dbraw/zinc/15/69/19/965156919.db2.gz QKDVKHUMJGCRBU-FQEVSTJZSA-N 1 3 353.470 2.518 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](CNCc2cncs2)C1 ZINC001087176651 965189724 /nfs/dbraw/zinc/18/97/24/965189724.db2.gz IKZKMVXNFXHVHB-IKGGRYGDSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](CNCc2cncs2)C1 ZINC001087176651 965189732 /nfs/dbraw/zinc/18/97/32/965189732.db2.gz IKZKMVXNFXHVHB-IKGGRYGDSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1sc(C)nc1C)N(C)C ZINC001087181215 965289698 /nfs/dbraw/zinc/28/96/98/965289698.db2.gz GUDMUFOADHMLCE-XOKHGSTOSA-N 1 3 366.575 2.817 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)N1CCc2ccccc2C1 ZINC000891890549 965340940 /nfs/dbraw/zinc/34/09/40/965340940.db2.gz VAGQJGBIFSUCEX-FQEVSTJZSA-N 1 3 370.541 2.703 20 0 FFADHO Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000664809462 965353900 /nfs/dbraw/zinc/35/39/00/965353900.db2.gz JIFOXPBGTHYPHO-FHWLQOOXSA-N 1 3 360.546 2.812 20 0 FFADHO Cc1ccccc1[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000664809462 965353915 /nfs/dbraw/zinc/35/39/15/965353915.db2.gz JIFOXPBGTHYPHO-FHWLQOOXSA-N 1 3 360.546 2.812 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892153172 966086600 /nfs/dbraw/zinc/08/66/00/966086600.db2.gz MROGHTPMZJCWRS-VGOFRKELSA-N 1 3 356.558 2.727 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892153172 966086607 /nfs/dbraw/zinc/08/66/07/966086607.db2.gz MROGHTPMZJCWRS-VGOFRKELSA-N 1 3 356.558 2.727 20 0 FFADHO c1cnc(N2CC[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)nc1 ZINC001167988710 966101728 /nfs/dbraw/zinc/10/17/28/966101728.db2.gz NLDLDSRDSXGAFJ-DQKSBWHRSA-N 1 3 367.541 2.640 20 0 FFADHO c1cnc(N2CC[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)nc1 ZINC001167988710 966101736 /nfs/dbraw/zinc/10/17/36/966101736.db2.gz NLDLDSRDSXGAFJ-DQKSBWHRSA-N 1 3 367.541 2.640 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](CNCc2ccns2)C1 ZINC001087205447 966314641 /nfs/dbraw/zinc/31/46/41/966314641.db2.gz UBSCCZLHLJGSKX-QZWWFDLISA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](CNCc2ccns2)C1 ZINC001087205447 966314650 /nfs/dbraw/zinc/31/46/50/966314650.db2.gz UBSCCZLHLJGSKX-QZWWFDLISA-N 1 3 364.559 2.590 20 0 FFADHO CCc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001087219515 966750136 /nfs/dbraw/zinc/75/01/36/966750136.db2.gz BCENMPZQZQQZIZ-UZLBHIALSA-N 1 3 354.498 2.932 20 0 FFADHO CN1CCN(c2ncccc2C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121174496 967099286 /nfs/dbraw/zinc/09/92/86/967099286.db2.gz ZZGRBKXSZKWSND-IBGZPJMESA-N 1 3 358.436 2.889 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000126874433 967602952 /nfs/dbraw/zinc/60/29/52/967602952.db2.gz GCEOYDUQOWGDSK-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000126874433 967602957 /nfs/dbraw/zinc/60/29/57/967602957.db2.gz GCEOYDUQOWGDSK-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001029313830 967693051 /nfs/dbraw/zinc/69/30/51/967693051.db2.gz OIYZXPAURQTNOH-OVNJDOEUSA-N 1 3 371.500 2.828 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001029313830 967693077 /nfs/dbraw/zinc/69/30/77/967693077.db2.gz OIYZXPAURQTNOH-OVNJDOEUSA-N 1 3 371.500 2.828 20 0 FFADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650765087 967762494 /nfs/dbraw/zinc/76/24/94/967762494.db2.gz ZDKWPKVYPFQXKA-HMFYCAOWSA-N 1 3 365.477 2.608 20 0 FFADHO C[C@@H]1CC(NCCNC(=O)c2ccncc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011544 967873708 /nfs/dbraw/zinc/87/37/08/967873708.db2.gz PJEDKJFZZDGXEB-QZTJIDSGSA-N 1 3 366.509 2.843 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001075813643 968179774 /nfs/dbraw/zinc/17/97/74/968179774.db2.gz RKKDJTQOJHMJRT-HNVANAALSA-N 1 3 367.537 2.963 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001075813643 968179782 /nfs/dbraw/zinc/17/97/82/968179782.db2.gz RKKDJTQOJHMJRT-HNVANAALSA-N 1 3 367.537 2.963 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1CC ZINC001087593568 968282967 /nfs/dbraw/zinc/28/29/67/968282967.db2.gz LNKOSOKBFNKGFY-XUVXKRRUSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1CC ZINC001087593568 968282973 /nfs/dbraw/zinc/28/29/73/968282973.db2.gz LNKOSOKBFNKGFY-XUVXKRRUSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000658146515 968551316 /nfs/dbraw/zinc/55/13/16/968551316.db2.gz VPCLHSCVTGPGCR-JXFKEZNVSA-N 1 3 368.477 2.875 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000658146515 968551322 /nfs/dbraw/zinc/55/13/22/968551322.db2.gz VPCLHSCVTGPGCR-JXFKEZNVSA-N 1 3 368.477 2.875 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2occc2CN(C)C)CC[N@@H+]1Cc1cncc(C)c1 ZINC001087705084 968671172 /nfs/dbraw/zinc/67/11/72/968671172.db2.gz WNARFIDXMCGQQF-RBUKOAKNSA-N 1 3 370.497 2.828 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2occc2CN(C)C)CC[N@H+]1Cc1cncc(C)c1 ZINC001087705084 968671178 /nfs/dbraw/zinc/67/11/78/968671178.db2.gz WNARFIDXMCGQQF-RBUKOAKNSA-N 1 3 370.497 2.828 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001112167188 968743422 /nfs/dbraw/zinc/74/34/22/968743422.db2.gz HPLGRKJLKYQEGT-MCIONIFRSA-N 1 3 351.457 2.742 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1sc(C)nc1C ZINC001087796751 969102917 /nfs/dbraw/zinc/10/29/17/969102917.db2.gz LWOPAXAJNUFLHA-IXDOHACOSA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1sc(C)nc1C ZINC001087796751 969102924 /nfs/dbraw/zinc/10/29/24/969102924.db2.gz LWOPAXAJNUFLHA-IXDOHACOSA-N 1 3 364.559 2.571 20 0 FFADHO C[N@H+](CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O)Cc1ccccc1 ZINC000177195095 969118770 /nfs/dbraw/zinc/11/87/70/969118770.db2.gz GNDIZYNTQMGJGR-LSDHHAIUSA-N 1 3 372.387 2.509 20 0 FFADHO C[N@@H+](CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O)Cc1ccccc1 ZINC000177195095 969118772 /nfs/dbraw/zinc/11/87/72/969118772.db2.gz GNDIZYNTQMGJGR-LSDHHAIUSA-N 1 3 372.387 2.509 20 0 FFADHO C[C@H](NC/C(Cl)=C\Cl)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267486724 969123888 /nfs/dbraw/zinc/12/38/88/969123888.db2.gz JMZFNWCFCFZTKQ-OIODCMRXSA-N 1 3 362.345 2.862 20 0 FFADHO C[C@H](NC/C(Cl)=C\Cl)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267486724 969123894 /nfs/dbraw/zinc/12/38/94/969123894.db2.gz JMZFNWCFCFZTKQ-OIODCMRXSA-N 1 3 362.345 2.862 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892516949 969330442 /nfs/dbraw/zinc/33/04/42/969330442.db2.gz SIDSEIGYILNYFE-IAGOWNOFSA-N 1 3 369.550 2.769 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC000892530470 969375842 /nfs/dbraw/zinc/37/58/42/969375842.db2.gz OYKFBGDCGTULBJ-HXUWFJFHSA-N 1 3 358.530 2.600 20 0 FFADHO CN(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000892599121 969553871 /nfs/dbraw/zinc/55/38/71/969553871.db2.gz QEHDPSUAGXAOED-PLACYPQZSA-N 1 3 370.541 2.823 20 0 FFADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](F)[C@H](N)C3)c2)CC1 ZINC000659005048 969625310 /nfs/dbraw/zinc/62/53/10/969625310.db2.gz INEYULSVLMMONP-RTBURBONSA-N 1 3 362.493 2.864 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+]1CCC(C)CC1 ZINC000659031841 969646730 /nfs/dbraw/zinc/64/67/30/969646730.db2.gz OTJUIHRDRXERME-VQIMIIECSA-N 1 3 360.502 2.589 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C2)CC1 ZINC000659037516 969655798 /nfs/dbraw/zinc/65/57/98/969655798.db2.gz ICGQORRRYCKSHT-ICSRJNTNSA-N 1 3 372.513 2.543 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659038564 969656611 /nfs/dbraw/zinc/65/66/11/969656611.db2.gz SNSMSPALEWGPFK-KXBFYZLASA-N 1 3 360.502 2.542 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659042161 969663667 /nfs/dbraw/zinc/66/36/67/969663667.db2.gz UUHGWOSVYGFDHN-PXNSSMCTSA-N 1 3 374.529 2.837 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659042161 969663669 /nfs/dbraw/zinc/66/36/69/969663669.db2.gz UUHGWOSVYGFDHN-PXNSSMCTSA-N 1 3 374.529 2.837 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659310443 969821662 /nfs/dbraw/zinc/82/16/62/969821662.db2.gz BUVWVIAMTKEOJG-SLYNCCJLSA-N 1 3 367.468 2.870 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000659426455 969917336 /nfs/dbraw/zinc/91/73/36/969917336.db2.gz WWEKUJDJNOVXPW-RTBURBONSA-N 1 3 362.518 2.505 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N(C)Cc1ccccc1 ZINC000659453776 969944292 /nfs/dbraw/zinc/94/42/92/969944292.db2.gz QQHKFEIHLOUIIL-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892808236 970300355 /nfs/dbraw/zinc/30/03/55/970300355.db2.gz MHPVFPRTLJWOID-NRFANRHFSA-N 1 3 366.509 2.604 20 0 FFADHO Cc1nn(C(C)C)c(C)c1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000895339401 970401241 /nfs/dbraw/zinc/40/12/41/970401241.db2.gz NQAHXNIIMTYSSK-FQEVSTJZSA-N 1 3 356.514 2.937 20 0 FFADHO Cc1nn(C(C)C)c(C)c1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000895339401 970401250 /nfs/dbraw/zinc/40/12/50/970401250.db2.gz NQAHXNIIMTYSSK-FQEVSTJZSA-N 1 3 356.514 2.937 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc(Cl)n1 ZINC000825776784 1014006006 /nfs/dbraw/zinc/00/60/06/1014006006.db2.gz VTJATBAHEJGZQY-ROUUACIJSA-N 1 3 374.916 2.722 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C2)cc1 ZINC001088095637 972738498 /nfs/dbraw/zinc/73/84/98/972738498.db2.gz ZICXNJRXVVTNHA-QHAWAJNXSA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C2)cc1 ZINC001088095637 972738504 /nfs/dbraw/zinc/73/85/04/972738504.db2.gz ZICXNJRXVVTNHA-QHAWAJNXSA-N 1 3 357.542 2.862 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001088106061 972820234 /nfs/dbraw/zinc/82/02/34/972820234.db2.gz MBGRTOTWJDEZQE-FPPKGNCTSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001088106061 972820242 /nfs/dbraw/zinc/82/02/42/972820242.db2.gz MBGRTOTWJDEZQE-FPPKGNCTSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cs1 ZINC001088106781 972825347 /nfs/dbraw/zinc/82/53/47/972825347.db2.gz QHIKKXCXANQZAN-LZQZEXGQSA-N 1 3 361.555 2.679 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cs1 ZINC001088106781 972825364 /nfs/dbraw/zinc/82/53/64/972825364.db2.gz QHIKKXCXANQZAN-LZQZEXGQSA-N 1 3 361.555 2.679 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001088130063 972978384 /nfs/dbraw/zinc/97/83/84/972978384.db2.gz UHZGMRUAJXVTAP-VWWMXCSTSA-N 1 3 353.938 2.784 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000897018508 973157813 /nfs/dbraw/zinc/15/78/13/973157813.db2.gz ZISUPAQJHIXCAG-RLLQIKCJSA-N 1 3 359.514 2.677 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000897018508 973157822 /nfs/dbraw/zinc/15/78/22/973157822.db2.gz ZISUPAQJHIXCAG-RLLQIKCJSA-N 1 3 359.514 2.677 20 0 FFADHO COc1ccc([C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665638082 973793357 /nfs/dbraw/zinc/79/33/57/973793357.db2.gz YGQSGNVCXMBYQI-IRXDYDNUSA-N 1 3 364.534 2.670 20 0 FFADHO COc1ccc([C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665638082 973793361 /nfs/dbraw/zinc/79/33/61/973793361.db2.gz YGQSGNVCXMBYQI-IRXDYDNUSA-N 1 3 364.534 2.670 20 0 FFADHO Cc1ccccc1C1=CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665761068 974095124 /nfs/dbraw/zinc/09/51/24/974095124.db2.gz WBUNRIANMKUZMY-SFHVURJKSA-N 1 3 358.530 2.676 20 0 FFADHO Cc1ccccc1C1=CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665761068 974095129 /nfs/dbraw/zinc/09/51/29/974095129.db2.gz WBUNRIANMKUZMY-SFHVURJKSA-N 1 3 358.530 2.676 20 0 FFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC001211667027 974180763 /nfs/dbraw/zinc/18/07/63/974180763.db2.gz RYFYTFQRTKWXGH-HSALFYBXSA-N 1 3 361.505 2.661 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000661398816 974222821 /nfs/dbraw/zinc/22/28/21/974222821.db2.gz QTISXAFILVBTIV-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000661398816 974222830 /nfs/dbraw/zinc/22/28/30/974222830.db2.gz QTISXAFILVBTIV-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000661507701 974396684 /nfs/dbraw/zinc/39/66/84/974396684.db2.gz SVNCASPIVAVNJO-BHIYHBOVSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000661507701 974396689 /nfs/dbraw/zinc/39/66/89/974396689.db2.gz SVNCASPIVAVNJO-BHIYHBOVSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)CN1Cc1ccccc1 ZINC000652167618 974670655 /nfs/dbraw/zinc/67/06/55/974670655.db2.gz ZKAWVPIJSOYZMU-HNAYVOBHSA-N 1 3 370.472 2.747 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000652285647 974770141 /nfs/dbraw/zinc/77/01/41/974770141.db2.gz BWRHGCWPYACOEL-UHFFFAOYSA-N 1 3 368.525 2.988 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000652283990 974771488 /nfs/dbraw/zinc/77/14/88/974771488.db2.gz BWGSUHGTOAYXMJ-UHFFFAOYSA-N 1 3 358.486 2.581 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC)CC3CCC3)cc2)CC1 ZINC000796539323 1014230549 /nfs/dbraw/zinc/23/05/49/1014230549.db2.gz IZPOESXRWCRNPR-UHFFFAOYSA-N 1 3 358.530 2.889 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC)CC3CCC3)cc2)CC1 ZINC000796539323 1014230562 /nfs/dbraw/zinc/23/05/62/1014230562.db2.gz IZPOESXRWCRNPR-UHFFFAOYSA-N 1 3 358.530 2.889 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662298725 975412771 /nfs/dbraw/zinc/41/27/71/975412771.db2.gz XJEVZAYPTRPZGQ-HXUWFJFHSA-N 1 3 373.541 2.803 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1CN ZINC000662312087 975421989 /nfs/dbraw/zinc/42/19/89/975421989.db2.gz OSMXZFNRHFNLCL-BEFAXECRSA-N 1 3 369.513 2.877 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1CN ZINC000662312087 975421993 /nfs/dbraw/zinc/42/19/93/975421993.db2.gz OSMXZFNRHFNLCL-BEFAXECRSA-N 1 3 369.513 2.877 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000662446141 975551727 /nfs/dbraw/zinc/55/17/27/975551727.db2.gz XNGNZMQDUUABEE-UGKGYDQZSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000662446141 975551730 /nfs/dbraw/zinc/55/17/30/975551730.db2.gz XNGNZMQDUUABEE-UGKGYDQZSA-N 1 3 363.505 2.902 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995032 975595273 /nfs/dbraw/zinc/59/52/73/975595273.db2.gz AUFUCGLEOXRBIB-LSDHHAIUSA-N 1 3 361.486 2.685 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000663400386 975790508 /nfs/dbraw/zinc/79/05/08/975790508.db2.gz PVRBJUIIMNRPOV-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663400386 975790519 /nfs/dbraw/zinc/79/05/19/975790519.db2.gz PVRBJUIIMNRPOV-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662661078 975796014 /nfs/dbraw/zinc/79/60/14/975796014.db2.gz JHUPUVPHUKWRBJ-RBBKRZOGSA-N 1 3 363.505 2.649 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662661078 975796019 /nfs/dbraw/zinc/79/60/19/975796019.db2.gz JHUPUVPHUKWRBJ-RBBKRZOGSA-N 1 3 363.505 2.649 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)CN1Cc1ccccc1 ZINC000893621050 976047172 /nfs/dbraw/zinc/04/71/72/976047172.db2.gz IWXLMFKLCHCCAD-UWJYYQICSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC000893621095 976048046 /nfs/dbraw/zinc/04/80/46/976048046.db2.gz JYZSLKWOXZLRRM-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769203 976065904 /nfs/dbraw/zinc/06/59/04/976065904.db2.gz XARSJEKWZAZQOT-JRGCBEDISA-N 1 3 355.526 2.948 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088769203 976065916 /nfs/dbraw/zinc/06/59/16/976065916.db2.gz XARSJEKWZAZQOT-JRGCBEDISA-N 1 3 355.526 2.948 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000663512121 976085535 /nfs/dbraw/zinc/08/55/35/976085535.db2.gz MDYOVWLLFNXYMI-INIZCTEOSA-N 1 3 357.477 2.646 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667724131 976839709 /nfs/dbraw/zinc/83/97/09/976839709.db2.gz YDVIXPNHYBPVSA-OAHLLOKOSA-N 1 3 353.470 2.887 20 0 FFADHO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3occc3CN(C)C)[C@H]2C)c1 ZINC001088822837 977187683 /nfs/dbraw/zinc/18/76/83/977187683.db2.gz JYBGNSSUOJVKLE-BEFAXECRSA-N 1 3 371.481 2.743 20 0 FFADHO COc1cccc(C[N@H+]2CC[C@H](NC(=O)c3occc3CN(C)C)[C@H]2C)c1 ZINC001088822837 977187691 /nfs/dbraw/zinc/18/76/91/977187691.db2.gz JYBGNSSUOJVKLE-BEFAXECRSA-N 1 3 371.481 2.743 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cnc3c(F)cccc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000876782451 1014392040 /nfs/dbraw/zinc/39/20/40/1014392040.db2.gz RGLKSFLEQGVEPT-UZLBHIALSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cnc3c(F)cccc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000876782451 1014392052 /nfs/dbraw/zinc/39/20/52/1014392052.db2.gz RGLKSFLEQGVEPT-UZLBHIALSA-N 1 3 356.489 2.832 20 0 FFADHO Cc1[nH]c2ccccc2c1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663939616 977768518 /nfs/dbraw/zinc/76/85/18/977768518.db2.gz RHUFWRKSCIYIRX-INIZCTEOSA-N 1 3 373.545 2.590 20 0 FFADHO Cc1[nH]c2ccccc2c1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663939616 977768523 /nfs/dbraw/zinc/76/85/23/977768523.db2.gz RHUFWRKSCIYIRX-INIZCTEOSA-N 1 3 373.545 2.590 20 0 FFADHO OC[C@H]1CCCCCN1Cc1cncc(C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000653783993 1014448183 /nfs/dbraw/zinc/44/81/83/1014448183.db2.gz AWIKDOZTVVMUNS-OYRHEFFESA-N 1 3 361.530 2.555 20 0 FFADHO OC[C@H]1CCCCCN1Cc1cncc(C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000653783993 1014448187 /nfs/dbraw/zinc/44/81/87/1014448187.db2.gz AWIKDOZTVVMUNS-OYRHEFFESA-N 1 3 361.530 2.555 20 0 FFADHO OC[C@H]1CCCCC[N@H+]1Cc1cncc(CN2CCCCC[C@H]2CO)c1 ZINC000653783993 1014448191 /nfs/dbraw/zinc/44/81/91/1014448191.db2.gz AWIKDOZTVVMUNS-OYRHEFFESA-N 1 3 361.530 2.555 20 0 FFADHO OC[C@H]1CCCCC[N@@H+]1Cc1cncc(CN2CCCCC[C@H]2CO)c1 ZINC000653783993 1014448196 /nfs/dbraw/zinc/44/81/96/1014448196.db2.gz AWIKDOZTVVMUNS-OYRHEFFESA-N 1 3 361.530 2.555 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cc(F)ccc1F ZINC000664203981 978347266 /nfs/dbraw/zinc/34/72/66/978347266.db2.gz BMZCORAFTMZHDW-KBXCAEBGSA-N 1 3 370.488 2.987 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cc(F)ccc1F ZINC000664203981 978347276 /nfs/dbraw/zinc/34/72/76/978347276.db2.gz BMZCORAFTMZHDW-KBXCAEBGSA-N 1 3 370.488 2.987 20 0 FFADHO COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@@H]4C)[C@@H]3C2)c1C ZINC001076241522 979259968 /nfs/dbraw/zinc/25/99/68/979259968.db2.gz RJXSYKGZXRFORT-FFZOFVMBSA-N 1 3 371.525 2.521 20 0 FFADHO COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@@H]4C)[C@@H]3C2)c1C ZINC001076241522 979259973 /nfs/dbraw/zinc/25/99/73/979259973.db2.gz RJXSYKGZXRFORT-FFZOFVMBSA-N 1 3 371.525 2.521 20 0 FFADHO C[NH+]1CCC(CNC(=O)Nc2cc3cc[nH]c3cn2)(N2CCCCC2)CC1 ZINC000654140076 1014584994 /nfs/dbraw/zinc/58/49/94/1014584994.db2.gz WJUFSYGTOQXVTD-UHFFFAOYSA-N 1 3 370.501 2.635 20 0 FFADHO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000904320267 980242419 /nfs/dbraw/zinc/24/24/19/980242419.db2.gz FZGRAGCYTDQSFU-XLIONFOSSA-N 1 3 374.554 2.623 20 0 FFADHO c1ncn(-c2ccccc2CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904475667 980284521 /nfs/dbraw/zinc/28/45/21/980284521.db2.gz PIBYJMPDCXOGED-RXVVDRJESA-N 1 3 361.449 2.613 20 0 FFADHO c1ncn(-c2ccccc2CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904475668 980284555 /nfs/dbraw/zinc/28/45/55/980284555.db2.gz PIBYJMPDCXOGED-WIYYLYMNSA-N 1 3 361.449 2.613 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(=O)[nH]c3)C2)ccn1 ZINC000877645194 1014657673 /nfs/dbraw/zinc/65/76/73/1014657673.db2.gz DCWGCXAETHXZKO-LJQANCHMSA-N 1 3 356.470 2.676 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)ccn1 ZINC000877645194 1014657687 /nfs/dbraw/zinc/65/76/87/1014657687.db2.gz DCWGCXAETHXZKO-LJQANCHMSA-N 1 3 356.470 2.676 20 0 FFADHO COCCC[N@H+](C)CCOc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159737 980582599 /nfs/dbraw/zinc/58/25/99/980582599.db2.gz TVULYONKCKSTNX-HXUWFJFHSA-N 1 3 370.497 2.915 20 0 FFADHO COCCC[N@@H+](C)CCOc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906159737 980582605 /nfs/dbraw/zinc/58/26/05/980582605.db2.gz TVULYONKCKSTNX-HXUWFJFHSA-N 1 3 370.497 2.915 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC000906477224 980669889 /nfs/dbraw/zinc/66/98/89/980669889.db2.gz AWQKZGZEHSBMKC-IBGZPJMESA-N 1 3 372.557 2.669 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC000906477224 980669898 /nfs/dbraw/zinc/66/98/98/980669898.db2.gz AWQKZGZEHSBMKC-IBGZPJMESA-N 1 3 372.557 2.669 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000877684704 1014678476 /nfs/dbraw/zinc/67/84/76/1014678476.db2.gz UCHYESCDAJRAEC-UHFFFAOYSA-N 1 3 374.451 2.977 20 0 FFADHO Cc1cncc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211916891 981042362 /nfs/dbraw/zinc/04/23/62/981042362.db2.gz UMYFWJXWEBQDPQ-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cncc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211916891 981042367 /nfs/dbraw/zinc/04/23/67/981042367.db2.gz UMYFWJXWEBQDPQ-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc2c(c1)CCC2 ZINC001088577373 981282692 /nfs/dbraw/zinc/28/26/92/981282692.db2.gz QSRSEEDANNZHRB-NBJYBMASSA-N 1 3 355.526 2.595 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc2c(c1)CCC2 ZINC001088577373 981282694 /nfs/dbraw/zinc/28/26/94/981282694.db2.gz QSRSEEDANNZHRB-NBJYBMASSA-N 1 3 355.526 2.595 20 0 FFADHO Cc1ccc(C)c(OCCN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)c1 ZINC001088577893 981287156 /nfs/dbraw/zinc/28/71/56/981287156.db2.gz VLAGZKABEDDAJH-WTGUMLROSA-N 1 3 373.541 2.601 20 0 FFADHO Cc1ccc(C)c(OCCN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)c1 ZINC001088577893 981287160 /nfs/dbraw/zinc/28/71/60/981287160.db2.gz VLAGZKABEDDAJH-WTGUMLROSA-N 1 3 373.541 2.601 20 0 FFADHO O=C(NC[C@@H]1CCCC[NH2+]1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237784062 982036517 /nfs/dbraw/zinc/03/65/17/982036517.db2.gz XPQKZONSWPGHKX-WMZOPIPTSA-N 1 3 369.431 2.699 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000666864189 982266587 /nfs/dbraw/zinc/26/65/87/982266587.db2.gz CTUAKOVOIUHYLP-HNNXBMFYSA-N 1 3 362.518 2.794 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000666864189 982266592 /nfs/dbraw/zinc/26/65/92/982266592.db2.gz CTUAKOVOIUHYLP-HNNXBMFYSA-N 1 3 362.518 2.794 20 0 FFADHO CCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000654662507 1014828948 /nfs/dbraw/zinc/82/89/48/1014828948.db2.gz RFGXERUFNQDWPM-SLFFLAALSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(NC2=NCCC2)cc1 ZINC000912347305 984014586 /nfs/dbraw/zinc/01/45/86/984014586.db2.gz WGMFFEIHYAQXCI-UHFFFAOYSA-N 1 3 370.497 2.664 20 0 FFADHO CC(C)COc1ccc(C(C)(C)NCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000878361394 1015005246 /nfs/dbraw/zinc/00/52/46/1015005246.db2.gz ACHPJKYSPYSGFX-UHFFFAOYSA-N 1 3 361.530 2.757 20 0 FFADHO C[NH+](C)C1(C)CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000913397338 984254971 /nfs/dbraw/zinc/25/49/71/984254971.db2.gz FJKLDUPCSRPDNM-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO c1cnc(N2CCCC23CC[NH+](C2CCN(CC4CC4)CC2)CC3)nc1 ZINC001168377257 984299574 /nfs/dbraw/zinc/29/95/74/984299574.db2.gz ARTBPXJLDWEWLD-UHFFFAOYSA-N 1 3 355.530 2.786 20 0 FFADHO O=C1N[C@@H](c2ccccc2)C12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168379086 984354125 /nfs/dbraw/zinc/35/41/25/984354125.db2.gz CSTDJJMWRVMRIU-FQEVSTJZSA-N 1 3 353.510 2.814 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2 ZINC001107424155 984532483 /nfs/dbraw/zinc/53/24/83/984532483.db2.gz AIKXGFRVQVNNJP-CCZRXCACSA-N 1 3 359.917 2.780 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001107424155 984532487 /nfs/dbraw/zinc/53/24/87/984532487.db2.gz AIKXGFRVQVNNJP-CCZRXCACSA-N 1 3 359.917 2.780 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2)C1CC1 ZINC001107438505 984539103 /nfs/dbraw/zinc/53/91/03/984539103.db2.gz CDUAGZXIIMKYBU-FUPPJEDESA-N 1 3 369.553 2.930 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccccc1)CC2)C1CC1 ZINC001107438505 984539106 /nfs/dbraw/zinc/53/91/06/984539106.db2.gz CDUAGZXIIMKYBU-FUPPJEDESA-N 1 3 369.553 2.930 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC[C@H]1[NH3+] ZINC000669427560 984572418 /nfs/dbraw/zinc/57/24/18/984572418.db2.gz YGNDINDRMKXDOD-MISYRCLQSA-N 1 3 358.530 2.901 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC[C@H]1[NH3+] ZINC000669427561 984572679 /nfs/dbraw/zinc/57/26/79/984572679.db2.gz YGNDINDRMKXDOD-RLLQIKCJSA-N 1 3 358.530 2.901 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001107485317 984589193 /nfs/dbraw/zinc/58/91/93/984589193.db2.gz UFAXOQJBWHPPIF-PNSFRZSSSA-N 1 3 365.949 2.974 20 0 FFADHO C[C@@]1(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCC[NH2+]C1 ZINC000669483623 984651945 /nfs/dbraw/zinc/65/19/45/984651945.db2.gz FARFHVRPMTXAKC-PZJWPPBQSA-N 1 3 358.530 2.903 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2)N(C)C ZINC001107553100 984682764 /nfs/dbraw/zinc/68/27/64/984682764.db2.gz BNDCMYBCZJCMTP-TUNNFDKTSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccccc1)CC2)N(C)C ZINC001107553100 984682768 /nfs/dbraw/zinc/68/27/68/984682768.db2.gz BNDCMYBCZJCMTP-TUNNFDKTSA-N 1 3 357.542 2.930 20 0 FFADHO CC1(C)CN(CC(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)C2CCCC2)CC[C@H]1O ZINC000878482199 1015064222 /nfs/dbraw/zinc/06/42/22/1015064222.db2.gz MSWASRNUAKNVHP-WOJBJXKFSA-N 1 3 366.590 2.978 20 0 FFADHO CC1(C)CN(CC(C[N@H+]2CC[C@@H](O)C(C)(C)C2)C2CCCC2)CC[C@H]1O ZINC000878482199 1015064230 /nfs/dbraw/zinc/06/42/30/1015064230.db2.gz MSWASRNUAKNVHP-WOJBJXKFSA-N 1 3 366.590 2.978 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000158226127 984810623 /nfs/dbraw/zinc/81/06/23/984810623.db2.gz GFTOTCPOAYWQDM-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765665079 985272981 /nfs/dbraw/zinc/27/29/81/985272981.db2.gz YOXMAVZPAJLIIE-FQEVSTJZSA-N 1 3 358.530 2.907 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)cc2)CC1 ZINC000921555015 985316048 /nfs/dbraw/zinc/31/60/48/985316048.db2.gz CWPPMKJLFIOARX-BHDDXSALSA-N 1 3 357.542 2.729 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=S)NC3CCN(C)CC3)cc2)CC1 ZINC000063147657 985737750 /nfs/dbraw/zinc/73/77/50/985737750.db2.gz LJMSUSCAQMODDC-UHFFFAOYSA-N 1 3 374.598 2.977 20 0 FFADHO CO[C@@H]1CN(CCCC(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001212405780 986181309 /nfs/dbraw/zinc/18/13/09/986181309.db2.gz BVTZBKQRJCARKC-HSALFYBXSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1CN(CCCC(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001212405780 986181317 /nfs/dbraw/zinc/18/13/17/986181317.db2.gz BVTZBKQRJCARKC-HSALFYBXSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC001007368785 1015202634 /nfs/dbraw/zinc/20/26/34/1015202634.db2.gz KRBSKJGMYNIQME-QHAWAJNXSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCc3ccc(C)cc3)C2)CC[N@H+]1C ZINC001007368785 1015202638 /nfs/dbraw/zinc/20/26/38/1015202638.db2.gz KRBSKJGMYNIQME-QHAWAJNXSA-N 1 3 357.542 2.848 20 0 FFADHO O=C(c1ccc(F)cc1)[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733442 986832479 /nfs/dbraw/zinc/83/24/79/986832479.db2.gz KIJCEGUOVIBHNW-IEBWSBKVSA-N 1 3 360.473 2.879 20 0 FFADHO CN(CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)Cc1ccccc1 ZINC000914332764 987446374 /nfs/dbraw/zinc/44/63/74/987446374.db2.gz FUKIFTNNYUFCID-FQEVSTJZSA-N 1 3 369.513 2.506 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001106254958 987765793 /nfs/dbraw/zinc/76/57/93/987765793.db2.gz CKMMXJADDODGMR-UYAOXDASSA-N 1 3 357.542 2.706 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000673235688 987896083 /nfs/dbraw/zinc/89/60/83/987896083.db2.gz GKPIHUXHIFYBLY-RLLQIKCJSA-N 1 3 358.530 2.821 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106339827 987982231 /nfs/dbraw/zinc/98/22/31/987982231.db2.gz BUJUHVURFHXHDA-CWFACMBSSA-N 1 3 350.334 2.720 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106339827 987982234 /nfs/dbraw/zinc/98/22/34/987982234.db2.gz BUJUHVURFHXHDA-CWFACMBSSA-N 1 3 350.334 2.720 20 0 FFADHO C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000765973818 988046102 /nfs/dbraw/zinc/04/61/02/988046102.db2.gz FUCFJXYWUGESTF-OXQOHEQNSA-N 1 3 373.497 2.937 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC000922389734 988538308 /nfs/dbraw/zinc/53/83/08/988538308.db2.gz JRTQQLZPKNVORQ-BRSBDYLESA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC000922389734 988538311 /nfs/dbraw/zinc/53/83/11/988538311.db2.gz JRTQQLZPKNVORQ-BRSBDYLESA-N 1 3 372.431 2.980 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](CNCc2ncc(C)s2)[C@H](C)C1)[NH+](CC)CC ZINC001106660303 988603820 /nfs/dbraw/zinc/60/38/20/988603820.db2.gz JCYLSAIECWVJLF-DJIMGWMZSA-N 1 3 366.575 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001106672786 988623065 /nfs/dbraw/zinc/62/30/65/988623065.db2.gz KPORSRNQAUDQPU-HGOLLRJXSA-N 1 3 364.361 2.967 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCOC2)[C@H](C)C1 ZINC001106775486 989017757 /nfs/dbraw/zinc/01/77/57/989017757.db2.gz KGBFUPIPWLCWII-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCCC2CCOCC2)[C@H](C)C1 ZINC001106783858 989045415 /nfs/dbraw/zinc/04/54/15/989045415.db2.gz YBLFZFBDIMRRKF-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)o1 ZINC000193831490 989087776 /nfs/dbraw/zinc/08/77/76/989087776.db2.gz NIUIPXYROOAXDC-UHFFFAOYSA-N 1 3 364.534 2.924 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652179556 1015489788 /nfs/dbraw/zinc/48/97/88/1015489788.db2.gz RAUJMBCODZORQE-HXUWFJFHSA-N 1 3 360.546 2.832 20 0 FFADHO C[C@H]1C[C@H](NCc2ccc(CC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000674335910 989663970 /nfs/dbraw/zinc/66/39/70/989663970.db2.gz SKQLOEUOOGODAS-LAUBAEHRSA-N 1 3 351.494 2.857 20 0 FFADHO C[C@H]1C[C@H](NCc2ccc(CC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000674335910 989663973 /nfs/dbraw/zinc/66/39/73/989663973.db2.gz SKQLOEUOOGODAS-LAUBAEHRSA-N 1 3 351.494 2.857 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346001 1015532009 /nfs/dbraw/zinc/53/20/09/1015532009.db2.gz QRZYXUNITVDUOG-MAPHFDCTSA-N 1 3 365.562 2.534 20 0 FFADHO c1ccc(N2CCN(CC3(NC4CC[NH+](CC5CC5)CC4)CC3)CC2)cc1 ZINC000658248376 990148676 /nfs/dbraw/zinc/14/86/76/990148676.db2.gz ATIGYEYUBQQJEV-UHFFFAOYSA-N 1 3 368.569 2.805 20 0 FFADHO c1ccc(N2CCN(CC3([NH2+]C4CCN(CC5CC5)CC4)CC3)CC2)cc1 ZINC000658248376 990148679 /nfs/dbraw/zinc/14/86/79/990148679.db2.gz ATIGYEYUBQQJEV-UHFFFAOYSA-N 1 3 368.569 2.805 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000652361500 1015540268 /nfs/dbraw/zinc/54/02/68/1015540268.db2.gz JEFARFFVGPKZSD-HLAWJBBLSA-N 1 3 371.525 2.538 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000658297210 990214995 /nfs/dbraw/zinc/21/49/95/990214995.db2.gz YZPOTCRDUUYRCY-AUSIDOKSSA-N 1 3 371.569 2.925 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000918118516 990338061 /nfs/dbraw/zinc/33/80/61/990338061.db2.gz ACNRMNVPKHWEPD-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CN(CCc3ccc4ccccc4c3)C2)CC[N@@H+]1C ZINC001031681199 990948509 /nfs/dbraw/zinc/94/85/09/990948509.db2.gz ICHAMWAXHYGNRG-VGOFRKELSA-N 1 3 365.521 2.771 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CN(CCc3ccc4ccccc4c3)C2)CC[N@H+]1C ZINC001031681199 990948512 /nfs/dbraw/zinc/94/85/12/990948512.db2.gz ICHAMWAXHYGNRG-VGOFRKELSA-N 1 3 365.521 2.771 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923446829 991146228 /nfs/dbraw/zinc/14/62/28/991146228.db2.gz OCZVIEZSNKXEJD-RTBURBONSA-N 1 3 359.514 2.566 20 0 FFADHO CCOC(=O)c1oc2ccccc2c1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449882 991154840 /nfs/dbraw/zinc/15/48/40/991154840.db2.gz CZNBZEJVLMLBJR-OAHLLOKOSA-N 1 3 372.465 2.939 20 0 FFADHO O=C(C[NH2+]C1CC1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000237878330 991380693 /nfs/dbraw/zinc/38/06/93/991380693.db2.gz UKAIVPAZSOXMRL-UHFFFAOYSA-N 1 3 358.486 2.582 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000446398420 991700170 /nfs/dbraw/zinc/70/01/70/991700170.db2.gz NNTDSOWYDRNIKE-NUJGCVRESA-N 1 3 369.431 2.827 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000383735313 992282255 /nfs/dbraw/zinc/28/22/55/992282255.db2.gz QCMNQHBHASPRFM-UGKGYDQZSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000383735313 992282259 /nfs/dbraw/zinc/28/22/59/992282259.db2.gz QCMNQHBHASPRFM-UGKGYDQZSA-N 1 3 363.505 2.902 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(C)s1 ZINC001080038652 992687962 /nfs/dbraw/zinc/68/79/62/992687962.db2.gz IQKXZYKWZAYBBD-RDTXWAMCSA-N 1 3 361.555 2.930 20 0 FFADHO C[C@@H]1CN(CCCc2ccsc2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037537 992688370 /nfs/dbraw/zinc/68/83/70/992688370.db2.gz NQAUWBXBGNTRNI-SJLPKXTDSA-N 1 3 361.555 2.746 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383402 993000052 /nfs/dbraw/zinc/00/00/52/993000052.db2.gz CKCMMOWASYSGQZ-YLJYHZDGSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC001107036211 993284952 /nfs/dbraw/zinc/28/49/52/993284952.db2.gz IRJIFPQIIGMQHA-RBSFLKMASA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000880258642 1015791698 /nfs/dbraw/zinc/79/16/98/1015791698.db2.gz BQINJEJBGFEVMV-RTBURBONSA-N 1 3 364.493 2.754 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001131570971 994409400 /nfs/dbraw/zinc/40/94/00/994409400.db2.gz VRQHPEWQDMDWEN-QYZOEREBSA-N 1 3 353.551 2.503 20 0 FFADHO CO[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001082384110 994500670 /nfs/dbraw/zinc/50/06/70/994500670.db2.gz DFIRWGQLYQQUOV-RTBURBONSA-N 1 3 361.530 2.613 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001082384110 994500683 /nfs/dbraw/zinc/50/06/83/994500683.db2.gz DFIRWGQLYQQUOV-RTBURBONSA-N 1 3 361.530 2.613 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC001082559804 994933120 /nfs/dbraw/zinc/93/31/20/994933120.db2.gz PTOPNSFHHZONDP-NIKGAXFTSA-N 1 3 363.933 2.659 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2c(F)cccc2Cl)C1)N(C)C ZINC001082589806 995003032 /nfs/dbraw/zinc/00/30/32/995003032.db2.gz PEGBOULYQLGQLQ-FSPWUOQZSA-N 1 3 369.912 2.798 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)s1 ZINC001086695276 995154249 /nfs/dbraw/zinc/15/42/49/995154249.db2.gz JQDQLKQESRFNOS-BBWFWOEESA-N 1 3 364.559 2.699 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)s1 ZINC001086695276 995154255 /nfs/dbraw/zinc/15/42/55/995154255.db2.gz JQDQLKQESRFNOS-BBWFWOEESA-N 1 3 364.559 2.699 20 0 FFADHO CNCc1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)ncn1 ZINC001170644410 995258355 /nfs/dbraw/zinc/25/83/55/995258355.db2.gz LCDIIHIWROZAMK-DXBWTPJFSA-N 1 3 351.498 2.828 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3scnc3C)C2)C1 ZINC001082698561 995292259 /nfs/dbraw/zinc/29/22/59/995292259.db2.gz OAEPXGRONNRGQK-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3scnc3C)C2)C1 ZINC001082698561 995292268 /nfs/dbraw/zinc/29/22/68/995292268.db2.gz OAEPXGRONNRGQK-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3ncccc3c2)C1)N(C)C ZINC001082724052 995360001 /nfs/dbraw/zinc/36/00/01/995360001.db2.gz BKBILRIQQJVIMJ-MAODMQOUSA-N 1 3 368.525 2.758 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NCc1sccc1Cl ZINC001082741283 995394824 /nfs/dbraw/zinc/39/48/24/995394824.db2.gz VPLZQBANGNAHEA-VNHYZAJKSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NCc1sccc1Cl ZINC001082741283 995394831 /nfs/dbraw/zinc/39/48/31/995394831.db2.gz VPLZQBANGNAHEA-VNHYZAJKSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC001082740711 995395350 /nfs/dbraw/zinc/39/53/50/995395350.db2.gz DCBWRFCMEZMDFD-MBOZVWFJSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC001082742492 995400405 /nfs/dbraw/zinc/40/04/05/995400405.db2.gz HLPUGCQNMGGOSJ-FRQCXROJSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001082744190 995404331 /nfs/dbraw/zinc/40/43/31/995404331.db2.gz WXJKULPRIPXLHK-BZUAXINKSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001082766792 995449969 /nfs/dbraw/zinc/44/99/69/995449969.db2.gz ZWEDMUBZGZFIBW-ZNZDAUKMSA-N 1 3 356.445 2.605 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C)c1 ZINC001082782716 995489772 /nfs/dbraw/zinc/48/97/72/995489772.db2.gz MIRWRMZTHYWBAO-MISYRCLQSA-N 1 3 358.530 2.589 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000727469220 995832850 /nfs/dbraw/zinc/83/28/50/995832850.db2.gz YVVFROUUEDIRLV-KSZLIROESA-N 1 3 369.550 2.865 20 0 FFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]Cc1ccccc1 ZINC001082940722 995866221 /nfs/dbraw/zinc/86/62/21/995866221.db2.gz NXWIKSWHRZXBKP-DYESRHJHSA-N 1 3 351.494 2.999 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943896 995882630 /nfs/dbraw/zinc/88/26/30/995882630.db2.gz PRRJMKWCHVHVOC-QGPMSJSTSA-N 1 3 364.559 2.508 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)cc1 ZINC001096538333 1015999839 /nfs/dbraw/zinc/99/98/39/1015999839.db2.gz FWNPUXSHZXVVQF-WOZUAGRISA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001096538333 1015999843 /nfs/dbraw/zinc/99/98/43/1015999843.db2.gz FWNPUXSHZXVVQF-WOZUAGRISA-N 1 3 355.526 2.983 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001049479795 1016004413 /nfs/dbraw/zinc/00/44/13/1016004413.db2.gz BWCLIVOYWGZXQL-XLNTUCKNSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccc(F)cc2)CC[N@H+]1C ZINC001049479795 1016004423 /nfs/dbraw/zinc/00/44/23/1016004423.db2.gz BWCLIVOYWGZXQL-XLNTUCKNSA-N 1 3 359.489 2.731 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)[C@H]2C1 ZINC000679376848 1016026987 /nfs/dbraw/zinc/02/69/87/1016026987.db2.gz IXENFCZHDLHGSW-HKBOAZHASA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)[C@H]2C1 ZINC000679376848 1016026998 /nfs/dbraw/zinc/02/69/98/1016026998.db2.gz IXENFCZHDLHGSW-HKBOAZHASA-N 1 3 370.541 2.949 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000679406673 1016041893 /nfs/dbraw/zinc/04/18/93/1016041893.db2.gz GSLZPPWNIWUHQC-UHFFFAOYSA-N 1 3 366.509 2.951 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)C45CCC[NH+](CCC4)C5)[C@@H]3C2)c1 ZINC001084442470 996596030 /nfs/dbraw/zinc/59/60/30/996596030.db2.gz HNDWJURLZWABOS-NHCUHLMSSA-N 1 3 367.537 2.904 20 0 FFADHO CCCc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001084831018 997578125 /nfs/dbraw/zinc/57/81/25/997578125.db2.gz VEECSRYXZUFLHG-NJDAHSKKSA-N 1 3 355.526 2.624 20 0 FFADHO CCCc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001084831018 997578132 /nfs/dbraw/zinc/57/81/32/997578132.db2.gz VEECSRYXZUFLHG-NJDAHSKKSA-N 1 3 355.526 2.624 20 0 FFADHO c1ccc(-c2noc(C3CCN(C[C@H]4C[C@]5(CC[NH2+]C5)CO4)CC3)n2)cc1 ZINC000903730762 1016159443 /nfs/dbraw/zinc/15/94/43/1016159443.db2.gz YXWAMKHBCCDJRU-NQIIRXRSSA-N 1 3 368.481 2.685 20 0 FFADHO COC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000903751738 1016175485 /nfs/dbraw/zinc/17/54/85/1016175485.db2.gz MRCVDMLXIMMVOT-DNVCBOLYSA-N 1 3 353.466 2.985 20 0 FFADHO Cc1csc2nc(CN3CCC(C[NH3+])(c4ccccc4)CC3)cc(=O)n12 ZINC000903793401 1016202134 /nfs/dbraw/zinc/20/21/34/1016202134.db2.gz CEFICUYDLIWTIP-UHFFFAOYSA-N 1 3 368.506 2.557 20 0 FFADHO C(=C/C[N@@H+]1CCC[C@H](n2ccnc2)C1)\CN1CCC[C@H](n2ccnc2)C1 ZINC000677554467 1016231905 /nfs/dbraw/zinc/23/19/05/1016231905.db2.gz WTGQXOZGPDJPLX-IGMPDDETSA-N 1 3 354.502 2.610 20 0 FFADHO C(=C/C[N@H+]1CCC[C@H](n2ccnc2)C1)\CN1CCC[C@H](n2ccnc2)C1 ZINC000677554467 1016231915 /nfs/dbraw/zinc/23/19/15/1016231915.db2.gz WTGQXOZGPDJPLX-IGMPDDETSA-N 1 3 354.502 2.610 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC001085217417 999184625 /nfs/dbraw/zinc/18/46/25/999184625.db2.gz AGBQZVNCQZKIRF-KURKYZTESA-N 1 3 362.518 2.683 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC001085217417 999184626 /nfs/dbraw/zinc/18/46/26/999184626.db2.gz AGBQZVNCQZKIRF-KURKYZTESA-N 1 3 362.518 2.683 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001085217648 999184813 /nfs/dbraw/zinc/18/48/13/999184813.db2.gz KRQAXDARFAFVAM-ZACQAIPSSA-N 1 3 350.532 2.535 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001085224935 999194322 /nfs/dbraw/zinc/19/43/22/999194322.db2.gz BASCPQOBMRYSAY-CGTJXYLNSA-N 1 3 364.559 2.923 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001085224935 999194323 /nfs/dbraw/zinc/19/43/23/999194323.db2.gz BASCPQOBMRYSAY-CGTJXYLNSA-N 1 3 364.559 2.923 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085306474 999330840 /nfs/dbraw/zinc/33/08/40/999330840.db2.gz BPMYCOUPJYSSHW-KBAYOESNSA-N 1 3 364.559 2.782 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085306474 999330843 /nfs/dbraw/zinc/33/08/43/999330843.db2.gz BPMYCOUPJYSSHW-KBAYOESNSA-N 1 3 364.559 2.782 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1ccccn1)C1CC[NH+](CC2CC2)CC1 ZINC001085389218 999442386 /nfs/dbraw/zinc/44/23/86/999442386.db2.gz ZBMYQEBFBUIOEW-NHCUHLMSSA-N 1 3 370.541 2.721 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)n2)C1 ZINC001085393844 999454710 /nfs/dbraw/zinc/45/47/10/999454710.db2.gz MSLZSPPCDVMRPT-USXIJHARSA-N 1 3 364.921 2.594 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)n2)C1 ZINC001085393844 999454713 /nfs/dbraw/zinc/45/47/13/999454713.db2.gz MSLZSPPCDVMRPT-USXIJHARSA-N 1 3 364.921 2.594 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001085432053 999515309 /nfs/dbraw/zinc/51/53/09/999515309.db2.gz GNKONRJCEXYURB-WOJBJXKFSA-N 1 3 370.497 2.875 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=S)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000737458341 999750959 /nfs/dbraw/zinc/75/09/59/999750959.db2.gz QLZSGSQXIVXZGJ-XLIONFOSSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=S)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000737458341 999750960 /nfs/dbraw/zinc/75/09/60/999750960.db2.gz QLZSGSQXIVXZGJ-XLIONFOSSA-N 1 3 374.598 2.940 20 0 FFADHO COCCCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903980290 1016355491 /nfs/dbraw/zinc/35/54/91/1016355491.db2.gz NPPRGABHHRLQMD-OYRHEFFESA-N 1 3 373.541 2.503 20 0 FFADHO COCCCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903980290 1016355503 /nfs/dbraw/zinc/35/55/03/1016355503.db2.gz NPPRGABHHRLQMD-OYRHEFFESA-N 1 3 373.541 2.503 20 0 FFADHO CCCn1c2ccccc2nc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980495 1016357715 /nfs/dbraw/zinc/35/77/15/1016357715.db2.gz SWRRZVGPKFXYFX-KDURUIRLSA-N 1 3 367.541 2.847 20 0 FFADHO CCOc1ccc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c(C)c1 ZINC001276126934 1016370014 /nfs/dbraw/zinc/37/00/14/1016370014.db2.gz MXXLEPPRJLIOKD-OAQYLSRUSA-N 1 3 359.514 2.522 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(C[C@H](c4ccccc4)C(=O)N3)CC1)C2 ZINC001169140009 1000022971 /nfs/dbraw/zinc/02/29/71/1000022971.db2.gz PNURJGQKNNKLKX-IYWMVGAKSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(C[C@H](c4ccccc4)C(=O)N3)CC1)C2 ZINC001169140009 1000022972 /nfs/dbraw/zinc/02/29/72/1000022972.db2.gz PNURJGQKNNKLKX-IYWMVGAKSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C1)C2 ZINC001169134202 1000024045 /nfs/dbraw/zinc/02/40/45/1000024045.db2.gz RDLBGVQMCHRUKK-FCIYXJNOSA-N 1 3 368.525 2.664 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C1)C2 ZINC001169134202 1000024047 /nfs/dbraw/zinc/02/40/47/1000024047.db2.gz RDLBGVQMCHRUKK-FCIYXJNOSA-N 1 3 368.525 2.664 20 0 FFADHO FC(F)(F)c1ccc2nccc(NCc3ncn4c3C[NH2+]CCC4)c2c1 ZINC001169242674 1000034018 /nfs/dbraw/zinc/03/40/18/1000034018.db2.gz SJYGFFHJLVZAAR-UHFFFAOYSA-N 1 3 361.371 2.977 20 0 FFADHO CN(C)CC[NH+](CCN(C)C)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169304674 1000039546 /nfs/dbraw/zinc/03/95/46/1000039546.db2.gz HSQKXGUUULTBEL-UHFFFAOYSA-N 1 3 361.530 2.580 20 0 FFADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000866995938 1000052942 /nfs/dbraw/zinc/05/29/42/1000052942.db2.gz MNJTXEQYYYKRFD-AWEZNQCLSA-N 1 3 372.429 2.512 20 0 FFADHO [NH3+]Cc1ccc2c(n1)N(c1cccc3cc([C@@H]4CNCCO4)cn31)CCC2 ZINC001169590586 1000060217 /nfs/dbraw/zinc/06/02/17/1000060217.db2.gz JPQFHTDLUSDRAJ-IBGZPJMESA-N 1 3 363.465 2.538 20 0 FFADHO CCOC(=O)N1CCC[C@H]([NH+]2CCC(N(CC)[C@@H]3CCOC3)CC2)CC1 ZINC001169703635 1000070574 /nfs/dbraw/zinc/07/05/74/1000070574.db2.gz NVEXKDOPLNYKPM-PKOBYXMFSA-N 1 3 367.534 2.573 20 0 FFADHO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)CN2CCCC2)c1 ZINC000768160149 1000187222 /nfs/dbraw/zinc/18/72/22/1000187222.db2.gz WJSIIBJDWSIPGE-GOTSBHOMSA-N 1 3 368.521 2.987 20 0 FFADHO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)CN2CCCC2)c1 ZINC000768160149 1000187223 /nfs/dbraw/zinc/18/72/23/1000187223.db2.gz WJSIIBJDWSIPGE-GOTSBHOMSA-N 1 3 368.521 2.987 20 0 FFADHO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)CN2CCCC2)c1 ZINC000768160157 1000187688 /nfs/dbraw/zinc/18/76/88/1000187688.db2.gz WJSIIBJDWSIPGE-XZOQPEGZSA-N 1 3 368.521 2.987 20 0 FFADHO Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)CN2CCCC2)c1 ZINC000768160157 1000187689 /nfs/dbraw/zinc/18/76/89/1000187689.db2.gz WJSIIBJDWSIPGE-XZOQPEGZSA-N 1 3 368.521 2.987 20 0 FFADHO CC(C)[NH+]1CCC(Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC1 ZINC000846049736 1000197468 /nfs/dbraw/zinc/19/74/68/1000197468.db2.gz GUSMSFSLIXRKHT-UHFFFAOYSA-N 1 3 374.573 2.988 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001109399209 1000382292 /nfs/dbraw/zinc/38/22/92/1000382292.db2.gz BWGZDWULTSMLQS-ZRNYENFQSA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001109399209 1000382300 /nfs/dbraw/zinc/38/23/00/1000382300.db2.gz BWGZDWULTSMLQS-ZRNYENFQSA-N 1 3 365.562 2.501 20 0 FFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846807471 1000445603 /nfs/dbraw/zinc/44/56/03/1000445603.db2.gz VCKIYGOWOGGOEC-FXAWDEMLSA-N 1 3 369.550 2.555 20 0 FFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846807471 1000445609 /nfs/dbraw/zinc/44/56/09/1000445609.db2.gz VCKIYGOWOGGOEC-FXAWDEMLSA-N 1 3 369.550 2.555 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)CCC2 ZINC001109653368 1000786819 /nfs/dbraw/zinc/78/68/19/1000786819.db2.gz TXLWONDQQNFIFL-HKBOAZHASA-N 1 3 355.526 2.739 20 0 FFADHO COc1cccc([C@H](C)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109655425 1000791451 /nfs/dbraw/zinc/79/14/51/1000791451.db2.gz VHIQGLDPCLMYSQ-RKOGWWSCSA-N 1 3 359.514 2.820 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001091737173 1001182528 /nfs/dbraw/zinc/18/25/28/1001182528.db2.gz JXVAQUOEQPDDAD-UZKOGDIHSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001091737173 1001182533 /nfs/dbraw/zinc/18/25/33/1001182533.db2.gz JXVAQUOEQPDDAD-UZKOGDIHSA-N 1 3 370.541 2.625 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001109969771 1001211944 /nfs/dbraw/zinc/21/19/44/1001211944.db2.gz YUYVJTDPHBPCTQ-QYZOEREBSA-N 1 3 353.551 2.647 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)CC(C)(C)CC[NH3+])cc2)CC1 ZINC001149010649 1001245207 /nfs/dbraw/zinc/24/52/07/1001245207.db2.gz LXHAKLZIXDWOLS-GOSISDBHSA-N 1 3 374.573 2.960 20 0 FFADHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001110002474 1001282256 /nfs/dbraw/zinc/28/22/56/1001282256.db2.gz IMLRSFWLLSYWER-GIVPXCGWSA-N 1 3 373.541 2.909 20 0 FFADHO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H](O)CN1CCCC1 ZINC000772584161 1001424511 /nfs/dbraw/zinc/42/45/11/1001424511.db2.gz VDXUREUHHVGRSF-LJQANCHMSA-N 1 3 360.477 2.537 20 0 FFADHO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H](O)CN1CCCC1 ZINC000772584161 1001424513 /nfs/dbraw/zinc/42/45/13/1001424513.db2.gz VDXUREUHHVGRSF-LJQANCHMSA-N 1 3 360.477 2.537 20 0 FFADHO CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H](O)C[NH+]1CCCC1 ZINC000772584161 1001424514 /nfs/dbraw/zinc/42/45/14/1001424514.db2.gz VDXUREUHHVGRSF-LJQANCHMSA-N 1 3 360.477 2.537 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCC)C1 ZINC001112546743 1001449770 /nfs/dbraw/zinc/44/97/70/1001449770.db2.gz BSEMSIGZCXALPA-FPOVZHCZSA-N 1 3 367.578 2.753 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1CN1CCCCC1 ZINC000788623219 1001836124 /nfs/dbraw/zinc/83/61/24/1001836124.db2.gz KHXKQNLDNPOWQP-FIKGOQFSSA-N 1 3 362.514 2.872 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@]2(C)C1)N(C)C ZINC001091782852 1001908417 /nfs/dbraw/zinc/90/84/17/1001908417.db2.gz JGXDQTVGGIISRU-GGPKGHCWSA-N 1 3 363.571 2.985 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@]2(C)C1)N(C)C ZINC001091782852 1001908425 /nfs/dbraw/zinc/90/84/25/1001908425.db2.gz JGXDQTVGGIISRU-GGPKGHCWSA-N 1 3 363.571 2.985 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001092011958 1002281425 /nfs/dbraw/zinc/28/14/25/1002281425.db2.gz JFSNHWYIFQXPAJ-ZBTPSLIHSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001092011958 1002281435 /nfs/dbraw/zinc/28/14/35/1002281435.db2.gz JFSNHWYIFQXPAJ-ZBTPSLIHSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001092011956 1002281730 /nfs/dbraw/zinc/28/17/30/1002281730.db2.gz JFSNHWYIFQXPAJ-ICWWQRBBSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001092011956 1002281740 /nfs/dbraw/zinc/28/17/40/1002281740.db2.gz JFSNHWYIFQXPAJ-ICWWQRBBSA-N 1 3 367.537 2.964 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4cccc(Cl)c4)C[C@@]3(C)C2)C1 ZINC001092272979 1002579635 /nfs/dbraw/zinc/57/96/35/1002579635.db2.gz KFCJVAKESFJLNM-QKLQHJQFSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4cccc(Cl)c4)C[C@@]3(C)C2)C1 ZINC001092272979 1002579643 /nfs/dbraw/zinc/57/96/43/1002579643.db2.gz KFCJVAKESFJLNM-QKLQHJQFSA-N 1 3 361.917 2.572 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)F)cc3)C2)C1=O ZINC001276262299 1016648202 /nfs/dbraw/zinc/64/82/02/1016648202.db2.gz DAVPAEQNHAJYBI-LJQANCHMSA-N 1 3 351.441 2.610 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1=O ZINC001276262299 1016648210 /nfs/dbraw/zinc/64/82/10/1016648210.db2.gz DAVPAEQNHAJYBI-LJQANCHMSA-N 1 3 351.441 2.610 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092300224 1002627949 /nfs/dbraw/zinc/62/79/49/1002627949.db2.gz RYSNTYXTTZMTQR-KNQAVFIVSA-N 1 3 355.526 2.942 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092300224 1002627957 /nfs/dbraw/zinc/62/79/57/1002627957.db2.gz RYSNTYXTTZMTQR-KNQAVFIVSA-N 1 3 355.526 2.942 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092299792 1002628338 /nfs/dbraw/zinc/62/83/38/1002628338.db2.gz IVKSJTLIWGVFMG-IRLDBZIGSA-N 1 3 370.541 2.546 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)cc2)CC1 ZINC000791710195 1002768771 /nfs/dbraw/zinc/76/87/71/1002768771.db2.gz ILYABMBGVXPBGH-QGZVFWFLSA-N 1 3 361.534 2.680 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001196650847 1003901808 /nfs/dbraw/zinc/90/18/08/1003901808.db2.gz FQGAKIHWAPDDGH-LJQANCHMSA-N 1 3 362.587 2.799 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806146115 1004245817 /nfs/dbraw/zinc/24/58/17/1004245817.db2.gz KDQOTVUPSLOTKP-KRWDZBQOSA-N 1 3 372.900 2.804 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ccnc4nc[nH]c43)c3ccccc23)CC1 ZINC001170528086 1004629566 /nfs/dbraw/zinc/62/95/66/1004629566.db2.gz GSICCNDZEHTBGD-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO Cc1ncsc1CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001489056711 1005400638 /nfs/dbraw/zinc/40/06/38/1005400638.db2.gz XVKXWQZXRVUSGK-WBVHZDCISA-N 1 3 366.575 2.551 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001489286408 1005449111 /nfs/dbraw/zinc/44/91/11/1005449111.db2.gz GXPYBWXHPBJKPP-WMEZAQDKSA-N 1 3 365.468 2.566 20 0 FFADHO Cc1cccc(Cl)c1CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001490664417 1005756654 /nfs/dbraw/zinc/75/66/54/1005756654.db2.gz JKTUZGYFAUWGOY-IDHHARJASA-N 1 3 363.933 2.973 20 0 FFADHO Cc1cccc(Cl)c1CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001490664417 1005756656 /nfs/dbraw/zinc/75/66/56/1005756656.db2.gz JKTUZGYFAUWGOY-IDHHARJASA-N 1 3 363.933 2.973 20 0 FFADHO CC(C)(O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357351 1005810633 /nfs/dbraw/zinc/81/06/33/1005810633.db2.gz GRLLHZSKPFVWLC-OAQYLSRUSA-N 1 3 354.494 2.770 20 0 FFADHO CC(C)(O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357351 1005810636 /nfs/dbraw/zinc/81/06/36/1005810636.db2.gz GRLLHZSKPFVWLC-OAQYLSRUSA-N 1 3 354.494 2.770 20 0 FFADHO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850563681 1005822665 /nfs/dbraw/zinc/82/26/65/1005822665.db2.gz ZUICUNNHNZLUDM-TYPHKJRUSA-N 1 3 370.541 2.777 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC001086712264 1005968152 /nfs/dbraw/zinc/96/81/52/1005968152.db2.gz XTMGYASQFYVIBU-JZXOWHBKSA-N 1 3 364.559 2.700 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2ncccc2C)CC3)CC[N@@H+]1C ZINC001050524012 1017041094 /nfs/dbraw/zinc/04/10/94/1017041094.db2.gz QSAMFWTULMHIFN-AZUAARDMSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2ncccc2C)CC3)CC[N@H+]1C ZINC001050524012 1017041102 /nfs/dbraw/zinc/04/11/02/1017041102.db2.gz QSAMFWTULMHIFN-AZUAARDMSA-N 1 3 370.541 2.545 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000854038129 1006641222 /nfs/dbraw/zinc/64/12/22/1006641222.db2.gz KNJPPDJCHOHBNJ-TZIWHRDSSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000854038129 1006641229 /nfs/dbraw/zinc/64/12/29/1006641229.db2.gz KNJPPDJCHOHBNJ-TZIWHRDSSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1(C)C ZINC000883220484 1006708745 /nfs/dbraw/zinc/70/87/45/1006708745.db2.gz KIJVOQINTXEMKE-FQEVSTJZSA-N 1 3 363.521 2.909 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)nn1 ZINC000883432434 1006789621 /nfs/dbraw/zinc/78/96/21/1006789621.db2.gz RGDVURPCEVNQSA-AQNXPRMDSA-N 1 3 355.486 2.684 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)C2)nn1 ZINC000883432434 1006789636 /nfs/dbraw/zinc/78/96/36/1006789636.db2.gz RGDVURPCEVNQSA-AQNXPRMDSA-N 1 3 355.486 2.684 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC1 ZINC001188962491 1006822826 /nfs/dbraw/zinc/82/28/26/1006822826.db2.gz AUEYBJAVEHXRQW-XCBOUCJHSA-N 1 3 353.510 2.574 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001189061757 1006878238 /nfs/dbraw/zinc/87/82/38/1006878238.db2.gz KQPJWRNXBPEVSY-DOTOQJQBSA-N 1 3 369.431 2.690 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189317216 1007019039 /nfs/dbraw/zinc/01/90/39/1007019039.db2.gz KDKVZWPBBMBJTD-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001189879967 1007322076 /nfs/dbraw/zinc/32/20/76/1007322076.db2.gz GYHSUNMRCASROM-RCPLKNEXSA-N 1 3 355.526 2.964 20 0 FFADHO Cn1nccc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001206338075 1032239751 /nfs/dbraw/zinc/23/97/51/1032239751.db2.gz UMLPYVPRBQIWKH-HXUWFJFHSA-N 1 3 354.498 2.676 20 0 FFADHO Cn1nccc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001206338075 1032239760 /nfs/dbraw/zinc/23/97/60/1032239760.db2.gz UMLPYVPRBQIWKH-HXUWFJFHSA-N 1 3 354.498 2.676 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902520 1007804954 /nfs/dbraw/zinc/80/49/54/1007804954.db2.gz SIOMJSOUBZOQIU-FBEWHJACSA-N 1 3 370.493 2.641 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1 ZINC000885862859 1007806271 /nfs/dbraw/zinc/80/62/71/1007806271.db2.gz KSGGDHGGANVOTF-HXUWFJFHSA-N 1 3 359.514 2.512 20 0 FFADHO COc1cccc([C@H](O)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817905729 1007806610 /nfs/dbraw/zinc/80/66/10/1007806610.db2.gz RZLDTSMSTXMYDP-QKNQBKEWSA-N 1 3 354.450 2.574 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3N)cc2)C1=O ZINC000817929082 1007808176 /nfs/dbraw/zinc/80/81/76/1007808176.db2.gz IUNNWDTXNWVIDQ-LVCYWYKZSA-N 1 3 370.497 2.661 20 0 FFADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccnc(N)c3)C2)ccn1 ZINC000856603567 1007909233 /nfs/dbraw/zinc/90/92/33/1007909233.db2.gz BZRMKIKJMGGGFA-IBGZPJMESA-N 1 3 355.486 2.552 20 0 FFADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccnc(N)c3)C2)ccn1 ZINC000856603567 1007909239 /nfs/dbraw/zinc/90/92/39/1007909239.db2.gz BZRMKIKJMGGGFA-IBGZPJMESA-N 1 3 355.486 2.552 20 0 FFADHO CC(C)[NH+]1CCC(NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818940902 1007985292 /nfs/dbraw/zinc/98/52/92/1007985292.db2.gz JQDYHSDOVGHPBS-HXUWFJFHSA-N 1 3 369.550 2.601 20 0 FFADHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H](C)N1CCOCC1 ZINC000886524073 1008717159 /nfs/dbraw/zinc/71/71/59/1008717159.db2.gz BULIFUGQTBZJKW-UMBQZNGKSA-N 1 3 357.542 2.738 20 0 FFADHO CCNC(=O)C1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886598537 1008764908 /nfs/dbraw/zinc/76/49/08/1008764908.db2.gz CTYZBSZMDIIASQ-UFYCRDLUSA-N 1 3 355.526 2.936 20 0 FFADHO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000886602868 1008767309 /nfs/dbraw/zinc/76/73/09/1008767309.db2.gz BJNBLSATBGLLGS-QZTJIDSGSA-N 1 3 368.481 2.616 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC001206596539 1032357964 /nfs/dbraw/zinc/35/79/64/1032357964.db2.gz NSZBVXCGROZBND-YPAWHYETSA-N 1 3 357.542 2.551 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC001206596539 1032357974 /nfs/dbraw/zinc/35/79/74/1032357974.db2.gz NSZBVXCGROZBND-YPAWHYETSA-N 1 3 357.542 2.551 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC001178170636 1008911063 /nfs/dbraw/zinc/91/10/63/1008911063.db2.gz LUFUPVPDUJVWPW-IRXDYDNUSA-N 1 3 353.304 2.917 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126481054 1009231924 /nfs/dbraw/zinc/23/19/24/1009231924.db2.gz ZNECWELZJHINDF-UHFFFAOYSA-N 1 3 374.573 2.530 20 0 FFADHO Cc1cccc(N(C(=O)CN(C)C2CCCC2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001180627092 1009774200 /nfs/dbraw/zinc/77/42/00/1009774200.db2.gz BHQSDAZOGCAIDG-UNMCSNQZSA-N 1 3 371.525 2.723 20 0 FFADHO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862343518 1009797699 /nfs/dbraw/zinc/79/76/99/1009797699.db2.gz QWPKNBFWHVANJX-IAGOWNOFSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862343518 1009797711 /nfs/dbraw/zinc/79/77/11/1009797711.db2.gz QWPKNBFWHVANJX-IAGOWNOFSA-N 1 3 369.550 2.722 20 0 FFADHO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)c3cnccc3N(C)C)[C@H](C)C2)o1 ZINC001093136911 1009981784 /nfs/dbraw/zinc/98/17/84/1009981784.db2.gz DKYBOHAFDWHBQN-FVQBIDKESA-N 1 3 371.485 2.503 20 0 FFADHO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)c3cnccc3N(C)C)[C@H](C)C2)o1 ZINC001093136911 1009981802 /nfs/dbraw/zinc/98/18/02/1009981802.db2.gz DKYBOHAFDWHBQN-FVQBIDKESA-N 1 3 371.485 2.503 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(CNC/C(Cl)=C\Cl)C2)CC[N@@H+]1C ZINC001181525602 1010133289 /nfs/dbraw/zinc/13/32/89/1010133289.db2.gz NKIHGBIFXMZQNW-ZAYJEWORSA-N 1 3 362.345 2.720 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(CNC/C(Cl)=C\Cl)C2)CC[N@H+]1C ZINC001181525602 1010133293 /nfs/dbraw/zinc/13/32/93/1010133293.db2.gz NKIHGBIFXMZQNW-ZAYJEWORSA-N 1 3 362.345 2.720 20 0 FFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001093820388 1010592799 /nfs/dbraw/zinc/59/27/99/1010592799.db2.gz JNJBYIOHOMXCJV-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1C ZINC001093824239 1010595646 /nfs/dbraw/zinc/59/56/46/1010595646.db2.gz LQWGCMCFDVNVRU-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2F)[C@H](C)C1)N(C)C ZINC001094020817 1010786937 /nfs/dbraw/zinc/78/69/37/1010786937.db2.gz DYKGGOYCWCJSDN-IDHHARJASA-N 1 3 367.484 2.735 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@H](C)C1 ZINC001094040399 1010802538 /nfs/dbraw/zinc/80/25/38/1010802538.db2.gz HTHCZOIVUQAPAA-BFYDXBDKSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC001094041165 1010803699 /nfs/dbraw/zinc/80/36/99/1010803699.db2.gz YHGOVNWMGQJVJJ-HLLBOEOZSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC001094074526 1010833347 /nfs/dbraw/zinc/83/33/47/1010833347.db2.gz GJONDSZTMYUXFL-GDBMZVCRSA-N 1 3 352.438 2.583 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)cs2)[C@H](C)C1 ZINC001094241598 1010984536 /nfs/dbraw/zinc/98/45/36/1010984536.db2.gz SCCZVLGWXUPUDF-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(CCF)CC2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001094416411 1011101457 /nfs/dbraw/zinc/10/14/57/1011101457.db2.gz RUKCLZUSWMCTSR-FBBABVLZSA-N 1 3 365.537 2.971 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(CCF)CC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001094416411 1011101462 /nfs/dbraw/zinc/10/14/62/1011101462.db2.gz RUKCLZUSWMCTSR-FBBABVLZSA-N 1 3 365.537 2.971 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC[C@H]21 ZINC000868032868 1011150578 /nfs/dbraw/zinc/15/05/78/1011150578.db2.gz UGSFAYOZNYISAM-VAMGGRTRSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC[C@H]21 ZINC000868032868 1011150581 /nfs/dbraw/zinc/15/05/81/1011150581.db2.gz UGSFAYOZNYISAM-VAMGGRTRSA-N 1 3 356.514 2.559 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)cc2)CC1 ZINC000868096721 1011166178 /nfs/dbraw/zinc/16/61/78/1011166178.db2.gz UWJDPJWPYIDAEH-GOSISDBHSA-N 1 3 373.545 2.728 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCN(C)C1 ZINC000645095127 1011338106 /nfs/dbraw/zinc/33/81/06/1011338106.db2.gz HOCHLKPEEFHSKA-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)c3ccccn3)CC2)CC1(C)C ZINC001171625357 1011410687 /nfs/dbraw/zinc/41/06/87/1011410687.db2.gz IOVYHJDAXILSAC-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO C[NH+]1C(C)(C)CC(NCCc2cccc(S(C)(=O)=O)c2)CC1(C)C ZINC001171626313 1011411010 /nfs/dbraw/zinc/41/10/10/1011411010.db2.gz XTEDTZYCWGWKCU-UHFFFAOYSA-N 1 3 352.544 2.874 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000645292422 1011424259 /nfs/dbraw/zinc/42/42/59/1011424259.db2.gz UDQHOZAOPZFHGI-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000645292422 1011424267 /nfs/dbraw/zinc/42/42/67/1011424267.db2.gz UDQHOZAOPZFHGI-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2CCN(C4COC4)C2)C3)cc1 ZINC001172062886 1011624904 /nfs/dbraw/zinc/62/49/04/1011624904.db2.gz AJJKBLVTEHCXBW-BURNTYAHSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2CCN(C4COC4)C2)C3)cc1 ZINC001172062886 1011624913 /nfs/dbraw/zinc/62/49/13/1011624913.db2.gz AJJKBLVTEHCXBW-BURNTYAHSA-N 1 3 355.526 2.635 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]31)C2 ZINC001172116010 1011646634 /nfs/dbraw/zinc/64/66/34/1011646634.db2.gz JLWPXUICBMMVFR-SPZHGEQOSA-N 1 3 371.525 2.845 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]31)C2 ZINC001172116010 1011646646 /nfs/dbraw/zinc/64/66/46/1011646646.db2.gz JLWPXUICBMMVFR-SPZHGEQOSA-N 1 3 371.525 2.845 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](CC3CCC3)C2)C1=O ZINC001275140514 1011990219 /nfs/dbraw/zinc/99/02/19/1011990219.db2.gz GRTQGYVFAOJUQD-IFMALSPDSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](CC3CCC3)C2)C1=O ZINC001275140514 1011990229 /nfs/dbraw/zinc/99/02/29/1011990229.db2.gz GRTQGYVFAOJUQD-IFMALSPDSA-N 1 3 355.526 2.666 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC[C@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001275226248 1012102270 /nfs/dbraw/zinc/10/22/70/1012102270.db2.gz MDOLHTGLDSUVHL-DSKINZAPSA-N 1 3 358.530 2.560 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)CC2)c1 ZINC000870865349 1012609428 /nfs/dbraw/zinc/60/94/28/1012609428.db2.gz PSWSUPXCBUVGOB-BGYRXZFFSA-N 1 3 372.557 2.531 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(CCc1cccc(Cl)c1)CC2 ZINC001275557383 1012614590 /nfs/dbraw/zinc/61/45/90/1012614590.db2.gz FIECNZXZSCZBEK-GOSISDBHSA-N 1 3 363.933 2.662 20 0 FFADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970672 1012647826 /nfs/dbraw/zinc/64/78/26/1012647826.db2.gz UJUWUROOVOJETP-FUHWJXTLSA-N 1 3 368.525 2.537 20 0 FFADHO CSc1ccc(CN2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)cc1 ZINC001275647821 1012754954 /nfs/dbraw/zinc/75/49/54/1012754954.db2.gz RRXNWPFRBGZFQQ-GOSISDBHSA-N 1 3 361.555 2.688 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3c(F)cccc3F)CC2)C1=O ZINC001275662741 1012789496 /nfs/dbraw/zinc/78/94/96/1012789496.db2.gz SFQKSIMVDOPGFQ-HXUWFJFHSA-N 1 3 365.468 2.731 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)CC2)C1=O ZINC001275664304 1012798260 /nfs/dbraw/zinc/79/82/60/1012798260.db2.gz QUXSYGUTUJEHBC-HXUWFJFHSA-N 1 3 365.468 2.731 20 0 FFADHO Fc1ccccc1CN1CCC(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173739449 1012932351 /nfs/dbraw/zinc/93/23/51/1012932351.db2.gz GRWLGJMZHRKHJQ-RTBURBONSA-N 1 3 372.492 2.798 20 0 FFADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001275770381 1012985375 /nfs/dbraw/zinc/98/53/75/1012985375.db2.gz IGUPWMCIAUNQJR-GHTZIAJQSA-N 1 3 367.578 2.582 20 0 FFADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001275770381 1012985388 /nfs/dbraw/zinc/98/53/88/1012985388.db2.gz IGUPWMCIAUNQJR-GHTZIAJQSA-N 1 3 367.578 2.582 20 0 FFADHO CC(C)=CCN1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1 ZINC001051291686 1017272182 /nfs/dbraw/zinc/27/21/82/1017272182.db2.gz YVDZDHXZUWHSIN-YLJYHZDGSA-N 1 3 355.526 2.967 20 0 FFADHO CC(C)=CCN1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051291686 1017272188 /nfs/dbraw/zinc/27/21/88/1017272188.db2.gz YVDZDHXZUWHSIN-YLJYHZDGSA-N 1 3 355.526 2.967 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cccnc3C)CC2)CC[N@@H+]1C ZINC001052395670 1017397238 /nfs/dbraw/zinc/39/72/38/1017397238.db2.gz XQOQJLQELORAFV-HSALFYBXSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cccnc3C)CC2)CC[N@H+]1C ZINC001052395670 1017397251 /nfs/dbraw/zinc/39/72/51/1017397251.db2.gz XQOQJLQELORAFV-HSALFYBXSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1nonc1[C@@H](C)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000924706438 1017435049 /nfs/dbraw/zinc/43/50/49/1017435049.db2.gz MRYYRXRUISWNMB-QGZVFWFLSA-N 1 3 357.502 2.627 20 0 FFADHO CNC(=O)COc1cccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924715461 1017442062 /nfs/dbraw/zinc/44/20/62/1017442062.db2.gz GQFXSPCEGLWVCW-MRXNPFEDSA-N 1 3 355.482 2.724 20 0 FFADHO CNC(=O)COc1cccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924715458 1017442282 /nfs/dbraw/zinc/44/22/82/1017442282.db2.gz GQFXSPCEGLWVCW-INIZCTEOSA-N 1 3 355.482 2.724 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCCCO1)N1CCCC1 ZINC001097639033 1017739229 /nfs/dbraw/zinc/73/92/29/1017739229.db2.gz MKJIXKHSVGZTQF-HCXYKTFWSA-N 1 3 363.546 2.542 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCCCO1)N1CCCC1 ZINC001097639033 1017739243 /nfs/dbraw/zinc/73/92/43/1017739243.db2.gz MKJIXKHSVGZTQF-HCXYKTFWSA-N 1 3 363.546 2.542 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000680092499 1017771390 /nfs/dbraw/zinc/77/13/90/1017771390.db2.gz HWEAHOOMPMTGEO-XSDIEEQYSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000680092499 1017771401 /nfs/dbraw/zinc/77/14/01/1017771401.db2.gz HWEAHOOMPMTGEO-XSDIEEQYSA-N 1 3 370.541 2.681 20 0 FFADHO COc1ccc([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cc1OC ZINC000925808064 1017853532 /nfs/dbraw/zinc/85/35/32/1017853532.db2.gz JRTWMICXSVLMGD-QGZVFWFLSA-N 1 3 369.509 2.960 20 0 FFADHO Oc1ccc2c(c1)[C@H](NCc1ccc(CN3CC[NH2+]CC3)cc1)CCC2 ZINC000925816679 1017860125 /nfs/dbraw/zinc/86/01/25/1017860125.db2.gz IPHXMBRDSKMRHT-JOCHJYFZSA-N 1 3 351.494 2.965 20 0 FFADHO Cc1ccc(OC(F)F)c([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925853666 1017874188 /nfs/dbraw/zinc/87/41/88/1017874188.db2.gz KAUHQHMPOWGXSU-KBPBESRZSA-N 1 3 368.424 2.932 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000680913643 1018254936 /nfs/dbraw/zinc/25/49/36/1018254936.db2.gz FOFNZYWXSMFZJQ-MBOZVWFJSA-N 1 3 358.530 2.536 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)cc1CN1CCCCC1 ZINC000926984087 1018312460 /nfs/dbraw/zinc/31/24/60/1018312460.db2.gz ZMEKCHRPYPVDQD-IRXDYDNUSA-N 1 3 359.514 2.858 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000777615295 1018352335 /nfs/dbraw/zinc/35/23/35/1018352335.db2.gz PZDSSEYIXYWVQJ-DENIHFKCSA-N 1 3 374.573 2.987 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000777615295 1018352345 /nfs/dbraw/zinc/35/23/45/1018352345.db2.gz PZDSSEYIXYWVQJ-DENIHFKCSA-N 1 3 374.573 2.987 20 0 FFADHO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000927144712 1018380934 /nfs/dbraw/zinc/38/09/34/1018380934.db2.gz IMOIXFVZYQLBAU-UAFMIMERSA-N 1 3 365.525 2.563 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](C[C@H]2CCOC2)C1)c1ccccc1 ZINC000681219411 1018419615 /nfs/dbraw/zinc/41/96/15/1018419615.db2.gz VVZOXHSBNYDJQB-QKNQBKEWSA-N 1 3 373.541 2.544 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccccc3-n3cccc3)C[C@@H]1C[NH2+]CCC2 ZINC001222135663 1032779099 /nfs/dbraw/zinc/77/90/99/1032779099.db2.gz GBSXJJQZGNKXPU-UGKGYDQZSA-N 1 3 367.493 2.842 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](Cc3ccccc3-n3cccc3)C[C@@H]1CNCCC2 ZINC001222135663 1032779116 /nfs/dbraw/zinc/77/91/16/1032779116.db2.gz GBSXJJQZGNKXPU-UGKGYDQZSA-N 1 3 367.493 2.842 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3ccccc3-n3cccc3)C[C@@H]1CNCCC2 ZINC001222135663 1032779131 /nfs/dbraw/zinc/77/91/31/1032779131.db2.gz GBSXJJQZGNKXPU-UGKGYDQZSA-N 1 3 367.493 2.842 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901251436 1018870104 /nfs/dbraw/zinc/87/01/04/1018870104.db2.gz IWARKNWORHQJTP-ICSRJNTNSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901251436 1018870119 /nfs/dbraw/zinc/87/01/19/1018870119.db2.gz IWARKNWORHQJTP-ICSRJNTNSA-N 1 3 357.498 2.599 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCCCO2)cc1 ZINC001096176427 1019099069 /nfs/dbraw/zinc/09/90/69/1019099069.db2.gz WZQHMFCLUONWDD-CGXNFDGLSA-N 1 3 371.525 2.652 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@@H]5COC[C@H]5O4)CC[C@H]32)cc1 ZINC000929842850 1019682973 /nfs/dbraw/zinc/68/29/73/1019682973.db2.gz DMXGFUOIXPJKFD-QMCAAQAGSA-N 1 3 356.510 2.777 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4C[C@@H]5COC[C@H]5O4)CC[C@H]32)cc1 ZINC000929842850 1019682985 /nfs/dbraw/zinc/68/29/85/1019682985.db2.gz DMXGFUOIXPJKFD-QMCAAQAGSA-N 1 3 356.510 2.777 20 0 FFADHO CC(C)[NH+]1CCC(NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC000690620932 1020046295 /nfs/dbraw/zinc/04/62/95/1020046295.db2.gz QELUQYHRTVDMMT-QGZVFWFLSA-N 1 3 367.534 2.617 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@H]3CC[NH2+]CC(C)(C)C3)C2)cc(OC)c1 ZINC000902336113 1020109967 /nfs/dbraw/zinc/10/99/67/1020109967.db2.gz DTAKCDCDCDQFEM-ROUUACIJSA-N 1 3 361.530 2.646 20 0 FFADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(-n2ccnc2)c1 ZINC000902881378 1020544593 /nfs/dbraw/zinc/54/45/93/1020544593.db2.gz PFRRDCGJDHYRCN-DQLDELGASA-N 1 3 354.498 2.901 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1C ZINC001098219875 1020742242 /nfs/dbraw/zinc/74/22/42/1020742242.db2.gz WEEVZWAEFLZTQZ-NCYKPQTJSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1C ZINC001098219875 1020742246 /nfs/dbraw/zinc/74/22/46/1020742246.db2.gz WEEVZWAEFLZTQZ-NCYKPQTJSA-N 1 3 355.526 2.867 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C2CC2)C1 ZINC001098394921 1020870062 /nfs/dbraw/zinc/87/00/62/1020870062.db2.gz UYTYATBDVCGNOV-UKAVVXHISA-N 1 3 353.510 2.737 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C2CC2)C1 ZINC001098394921 1020870065 /nfs/dbraw/zinc/87/00/65/1020870065.db2.gz UYTYATBDVCGNOV-UKAVVXHISA-N 1 3 353.510 2.737 20 0 FFADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460249 1021157673 /nfs/dbraw/zinc/15/76/73/1021157673.db2.gz QBLKYBSXBYXKLA-RLLQIKCJSA-N 1 3 359.514 2.510 20 0 FFADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460249 1021157677 /nfs/dbraw/zinc/15/76/77/1021157677.db2.gz QBLKYBSXBYXKLA-RLLQIKCJSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc4ccccc4c3)C2)CC[N@@H+]1C ZINC001014485327 1021857376 /nfs/dbraw/zinc/85/73/76/1021857376.db2.gz VMBOGDAYWMIUPZ-MAODMQOUSA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc4ccccc4c3)C2)CC[N@H+]1C ZINC001014485327 1021857390 /nfs/dbraw/zinc/85/73/90/1021857390.db2.gz VMBOGDAYWMIUPZ-MAODMQOUSA-N 1 3 351.494 2.871 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001014485996 1021859436 /nfs/dbraw/zinc/85/94/36/1021859436.db2.gz YNTOTLGYFGFUNA-DUXKGJEZSA-N 1 3 357.542 2.916 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001014485996 1021859450 /nfs/dbraw/zinc/85/94/50/1021859450.db2.gz YNTOTLGYFGFUNA-DUXKGJEZSA-N 1 3 357.542 2.916 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(Cc2cccnc2C)CC3)CC[N@@H+]1C ZINC001016631358 1022061659 /nfs/dbraw/zinc/06/16/59/1022061659.db2.gz RJMJCDRKGNBJAY-ZCNNSNEGSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(Cc2cccnc2C)CC3)CC[N@H+]1C ZINC001016631358 1022061677 /nfs/dbraw/zinc/06/16/77/1022061677.db2.gz RJMJCDRKGNBJAY-ZCNNSNEGSA-N 1 3 370.541 2.591 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164292 1022164355 /nfs/dbraw/zinc/16/43/55/1022164355.db2.gz RNGOQJQEKDNKKX-YRXWBPOGSA-N 1 3 353.551 2.501 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ccsc3)C2)CCC1 ZINC001099446058 1022539273 /nfs/dbraw/zinc/53/92/73/1022539273.db2.gz IHOYDAXHYLHTST-HKUYNNGSSA-N 1 3 361.555 2.951 20 0 FFADHO Cc1cccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001099445678 1022540155 /nfs/dbraw/zinc/54/01/55/1022540155.db2.gz BNCRBRDKACNGGW-AVRDEDQJSA-N 1 3 370.541 2.593 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3oc(C(C)C)nc3C)C2)CC[N@@H+]1C ZINC001020174865 1022578147 /nfs/dbraw/zinc/57/81/47/1022578147.db2.gz VGEWJALZPIMETE-LUKYLMHMSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3oc(C(C)C)nc3C)C2)CC[N@H+]1C ZINC001020174865 1022578160 /nfs/dbraw/zinc/57/81/60/1022578160.db2.gz VGEWJALZPIMETE-LUKYLMHMSA-N 1 3 362.518 2.574 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001099497077 1022633281 /nfs/dbraw/zinc/63/32/81/1022633281.db2.gz RKDYMIXUGLFZCZ-AYBZRNKSSA-N 1 3 369.500 2.734 20 0 FFADHO Cc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)cc1 ZINC001099506193 1022646405 /nfs/dbraw/zinc/64/64/05/1022646405.db2.gz MONXDZUSWVZASU-RXVVDRJESA-N 1 3 352.482 2.679 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001122249133 1023144631 /nfs/dbraw/zinc/14/46/31/1023144631.db2.gz PUXRAHWWTVYTRF-RCCFBDPRSA-N 1 3 359.514 2.506 20 0 FFADHO [NH3+]CC[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC001122293145 1023172668 /nfs/dbraw/zinc/17/26/68/1023172668.db2.gz JEZKQIIQDBOLLX-AEFFLSMTSA-N 1 3 369.431 2.638 20 0 FFADHO [NH3+]CC[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC001122293152 1023172899 /nfs/dbraw/zinc/17/28/99/1023172899.db2.gz JEZKQIIQDBOLLX-SJLPKXTDSA-N 1 3 369.431 2.638 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)C[C@@H]2C1 ZINC001120372025 1023317527 /nfs/dbraw/zinc/31/75/27/1023317527.db2.gz XREACHXPZYSFNE-PIKOESSRSA-N 1 3 372.513 2.542 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC/C(Cl)=C/Cl)C3)C2)CC[N@@H+]1C ZINC001121134010 1023619620 /nfs/dbraw/zinc/61/96/20/1023619620.db2.gz OEAWGXLAPSBIOW-YELJLPMMSA-N 1 3 360.329 2.663 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC/C(Cl)=C/Cl)C3)C2)CC[N@H+]1C ZINC001121134010 1023619627 /nfs/dbraw/zinc/61/96/27/1023619627.db2.gz OEAWGXLAPSBIOW-YELJLPMMSA-N 1 3 360.329 2.663 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001121915833 1024164988 /nfs/dbraw/zinc/16/49/88/1024164988.db2.gz MCZDFQLSQRXMKJ-QZTJIDSGSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001121915833 1024164992 /nfs/dbraw/zinc/16/49/92/1024164992.db2.gz MCZDFQLSQRXMKJ-QZTJIDSGSA-N 1 3 371.525 2.895 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)CCSCCC[NH3+])c2)CC1 ZINC001122051169 1024296332 /nfs/dbraw/zinc/29/63/32/1024296332.db2.gz YKHBBQRACPVZNY-UHFFFAOYSA-N 1 3 364.559 2.628 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CC/C=C\c1ccccc1)C2 ZINC001101375136 1024577358 /nfs/dbraw/zinc/57/73/58/1024577358.db2.gz DDWDQSXESYQSEF-FYPGNJHRSA-N 1 3 364.493 2.836 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CC/C=C\c1ccccc1)C2 ZINC001101375136 1024577364 /nfs/dbraw/zinc/57/73/64/1024577364.db2.gz DDWDQSXESYQSEF-FYPGNJHRSA-N 1 3 364.493 2.836 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCOC(C)C)C[C@@]2(C)C1 ZINC001101395868 1024625326 /nfs/dbraw/zinc/62/53/26/1024625326.db2.gz UQNPNLOHQDAOMV-CTNGQTDRSA-N 1 3 367.578 2.704 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCOC(C)C)C[C@@]2(C)C1 ZINC001101395868 1024625332 /nfs/dbraw/zinc/62/53/32/1024625332.db2.gz UQNPNLOHQDAOMV-CTNGQTDRSA-N 1 3 367.578 2.704 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101443987 1024759809 /nfs/dbraw/zinc/75/98/09/1024759809.db2.gz SMZOTHRGCUIPSS-LMMKCTJWSA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101443987 1024759830 /nfs/dbraw/zinc/75/98/30/1024759830.db2.gz SMZOTHRGCUIPSS-LMMKCTJWSA-N 1 3 371.516 2.934 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101486868 1024868606 /nfs/dbraw/zinc/86/86/06/1024868606.db2.gz CUYLJUNCTWRDEX-HBFSDRIKSA-N 1 3 353.526 2.781 20 0 FFADHO CC[C@H](C(=O)N1CCO[C@@H]2CN(CCCC3CCC3)C[C@@H]21)[NH+](CC)CC ZINC001218624149 1033249781 /nfs/dbraw/zinc/24/97/81/1033249781.db2.gz NMGHFWRVPARRKB-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C ZINC001102015542 1025301578 /nfs/dbraw/zinc/30/15/78/1025301578.db2.gz JXIRSIYKDMXNRO-SUMDDJOVSA-N 1 3 367.484 2.690 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C ZINC001102015542 1025301584 /nfs/dbraw/zinc/30/15/84/1025301584.db2.gz JXIRSIYKDMXNRO-SUMDDJOVSA-N 1 3 367.484 2.690 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048693 1025357959 /nfs/dbraw/zinc/35/79/59/1025357959.db2.gz LMZBWWSVRHVLHV-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048693 1025357972 /nfs/dbraw/zinc/35/79/72/1025357972.db2.gz LMZBWWSVRHVLHV-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048497 1025358156 /nfs/dbraw/zinc/35/81/56/1025358156.db2.gz DZUJXAKKSZARRH-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048497 1025358171 /nfs/dbraw/zinc/35/81/71/1025358171.db2.gz DZUJXAKKSZARRH-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1C ZINC001102367015 1025816058 /nfs/dbraw/zinc/81/60/58/1025816058.db2.gz YGFDHHIMWOZMNK-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1C ZINC001102367015 1025816070 /nfs/dbraw/zinc/81/60/70/1025816070.db2.gz YGFDHHIMWOZMNK-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1 ZINC001102366828 1025821040 /nfs/dbraw/zinc/82/10/40/1025821040.db2.gz RVDJQMHNXUASAE-SVFBPWRDSA-N 1 3 357.542 2.706 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1 ZINC001102366828 1025821060 /nfs/dbraw/zinc/82/10/60/1025821060.db2.gz RVDJQMHNXUASAE-SVFBPWRDSA-N 1 3 357.542 2.706 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368117 1025828687 /nfs/dbraw/zinc/82/86/87/1025828687.db2.gz FHZZMYCRAPIPQC-SOLBZPMBSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368117 1025828699 /nfs/dbraw/zinc/82/86/99/1025828699.db2.gz FHZZMYCRAPIPQC-SOLBZPMBSA-N 1 3 371.516 2.980 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CC[N@@H+]1C ZINC001141311090 1025845950 /nfs/dbraw/zinc/84/59/50/1025845950.db2.gz WSWKQEHLKOTUAF-XUVXKRRUSA-N 1 3 361.530 2.925 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CC[N@H+]1C ZINC001141311090 1025845970 /nfs/dbraw/zinc/84/59/70/1025845970.db2.gz WSWKQEHLKOTUAF-XUVXKRRUSA-N 1 3 361.530 2.925 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000638548584 1025886617 /nfs/dbraw/zinc/88/66/17/1025886617.db2.gz CICGJIRQCCXEBI-UNWVZKJWSA-N 1 3 370.585 2.828 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638783867 1026016277 /nfs/dbraw/zinc/01/62/77/1026016277.db2.gz JXWZPMJYDPQRPP-NRFANRHFSA-N 1 3 371.525 2.513 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000639001753 1026124178 /nfs/dbraw/zinc/12/41/78/1026124178.db2.gz MSNVFXXMBHWIBO-OAQYLSRUSA-N 1 3 363.505 2.574 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1C ZINC001102525382 1026218416 /nfs/dbraw/zinc/21/84/16/1026218416.db2.gz ZTSYKUXXYLUHSX-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C ZINC001102525382 1026218428 /nfs/dbraw/zinc/21/84/28/1026218428.db2.gz ZTSYKUXXYLUHSX-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO COc1ncc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c2ccccc21 ZINC000639553783 1026364594 /nfs/dbraw/zinc/36/45/94/1026364594.db2.gz PQZBRWASQAWECH-UTKZUKDTSA-N 1 3 368.525 2.701 20 0 FFADHO COc1ncc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c2ccccc21 ZINC000639553783 1026364606 /nfs/dbraw/zinc/36/46/06/1026364606.db2.gz PQZBRWASQAWECH-UTKZUKDTSA-N 1 3 368.525 2.701 20 0 FFADHO CC(C)OCc1cccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757985 1026459720 /nfs/dbraw/zinc/45/97/20/1026459720.db2.gz NWBPYSODDFRCPW-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO C[NH+](C)Cc1ccnc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000640556856 1026795114 /nfs/dbraw/zinc/79/51/14/1026795114.db2.gz PYROTVQQGYMLGM-INIZCTEOSA-N 1 3 357.458 2.695 20 0 FFADHO COCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987370 1026858200 /nfs/dbraw/zinc/85/82/00/1026858200.db2.gz ABSYHWBVRDGLII-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO COCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987370 1026858210 /nfs/dbraw/zinc/85/82/10/1026858210.db2.gz ABSYHWBVRDGLII-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CN1CCC(N(c2ncc3c(Cl)cccc3n2)C2CC[NH2+]CC2)CC1 ZINC001158581393 1027065980 /nfs/dbraw/zinc/06/59/80/1027065980.db2.gz QSONGBMCNUQBEA-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO COc1ccc2cnc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)cc2c1 ZINC001158580702 1027066417 /nfs/dbraw/zinc/06/64/17/1027066417.db2.gz JZCPWRCLOKOCQH-UHFFFAOYSA-N 1 3 354.498 2.896 20 0 FFADHO Cc1nc(C2CC2)nc(Cl)c1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158589155 1027070201 /nfs/dbraw/zinc/07/02/01/1027070201.db2.gz MGKGGPLCXJKQKY-UHFFFAOYSA-N 1 3 363.937 2.968 20 0 FFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000641807144 1027316330 /nfs/dbraw/zinc/31/63/30/1027316330.db2.gz QTIXLTHCQQXODH-OALUTQOASA-N 1 3 351.494 2.998 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001103434250 1027475221 /nfs/dbraw/zinc/47/52/21/1027475221.db2.gz WGJOXLDWJJUYBZ-ZHALLVOQSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001103434250 1027475240 /nfs/dbraw/zinc/47/52/40/1027475240.db2.gz WGJOXLDWJJUYBZ-ZHALLVOQSA-N 1 3 361.505 2.884 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103550627 1027665920 /nfs/dbraw/zinc/66/59/20/1027665920.db2.gz ZMXHIFBBBITVFR-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103550627 1027665922 /nfs/dbraw/zinc/66/59/22/1027665922.db2.gz ZMXHIFBBBITVFR-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C ZINC001160956475 1027946443 /nfs/dbraw/zinc/94/64/43/1027946443.db2.gz JBAKLTPZZMKDKO-JBDAPHQKSA-N 1 3 355.526 2.599 20 0 FFADHO CS[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC001153676446 1027957208 /nfs/dbraw/zinc/95/72/08/1027957208.db2.gz NOMCAUXWYIZQON-ZWKOTPCHSA-N 1 3 372.538 2.943 20 0 FFADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001161050082 1027986897 /nfs/dbraw/zinc/98/68/97/1027986897.db2.gz KRHJMXIIVPEFDH-MJGOQNOKSA-N 1 3 361.530 2.675 20 0 FFADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001161050082 1027986915 /nfs/dbraw/zinc/98/69/15/1027986915.db2.gz KRHJMXIIVPEFDH-MJGOQNOKSA-N 1 3 361.530 2.675 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C ZINC001103756850 1028144920 /nfs/dbraw/zinc/14/49/20/1028144920.db2.gz CZSPOQFEWWTZGF-BZUAXINKSA-N 1 3 363.468 2.887 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC001103756850 1028144927 /nfs/dbraw/zinc/14/49/27/1028144927.db2.gz CZSPOQFEWWTZGF-BZUAXINKSA-N 1 3 363.468 2.887 20 0 FFADHO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@@H](N)CSCC[NH3+] ZINC001161389979 1028155417 /nfs/dbraw/zinc/15/54/17/1028155417.db2.gz UUQYKCACCIPEJL-ROUUACIJSA-N 1 3 351.560 2.656 20 0 FFADHO CCn1c(CCNC[C@H](O)C[N@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000644530985 1028526124 /nfs/dbraw/zinc/52/61/24/1028526124.db2.gz NWUCMEFYISWOIY-IBGZPJMESA-N 1 3 366.509 2.681 20 0 FFADHO CCn1c(CCNC[C@H](O)C[N@@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000644530985 1028526132 /nfs/dbraw/zinc/52/61/32/1028526132.db2.gz NWUCMEFYISWOIY-IBGZPJMESA-N 1 3 366.509 2.681 20 0 FFADHO CCN(C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005157 1028543813 /nfs/dbraw/zinc/54/38/13/1028543813.db2.gz GUICRILZYDOQJP-AYBZRNKSSA-N 1 3 367.484 2.814 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCc1cc(C(F)(F)F)ccn1 ZINC000644654382 1028612031 /nfs/dbraw/zinc/61/20/31/1028612031.db2.gz IAKBBHBJNKWYRE-SFHVURJKSA-N 1 3 367.415 2.725 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCc1cc(C(F)(F)F)ccn1 ZINC000644654382 1028612039 /nfs/dbraw/zinc/61/20/39/1028612039.db2.gz IAKBBHBJNKWYRE-SFHVURJKSA-N 1 3 367.415 2.725 20 0 FFADHO O=C1Nc2c(cccc2N[C@@H]2CNCc3ccsc32)C12CC[NH2+]CC2 ZINC001163230558 1028849551 /nfs/dbraw/zinc/84/95/51/1028849551.db2.gz PJLKZZMDOUXDNY-OAHLLOKOSA-N 1 3 354.479 2.578 20 0 FFADHO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1ncnc2c1CCNC2 ZINC001156014147 1029012683 /nfs/dbraw/zinc/01/26/83/1029012683.db2.gz YBPUTYNUGACMAL-UHFFFAOYSA-N 1 3 363.465 2.542 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCCOC)C2)N(CC)CC ZINC001111869790 1029649321 /nfs/dbraw/zinc/64/93/21/1029649321.db2.gz KEYMFAZSBRWOOD-NSHGMRRFSA-N 1 3 353.551 2.504 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCCOC)C2)N(CC)CC ZINC001111869790 1029649326 /nfs/dbraw/zinc/64/93/26/1029649326.db2.gz KEYMFAZSBRWOOD-NSHGMRRFSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1nc(N2CCCC2)cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001165416219 1029972542 /nfs/dbraw/zinc/97/25/42/1029972542.db2.gz AZJPYCVTUBPCAW-KNQAVFIVSA-N 1 3 363.509 2.969 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(CC3(C[NH3+])CC3)CC2)C1 ZINC000841103475 1030038755 /nfs/dbraw/zinc/03/87/55/1030038755.db2.gz WPJFFEGQOWEHLK-IRXDYDNUSA-N 1 3 367.534 2.510 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112116831 1030041486 /nfs/dbraw/zinc/04/14/86/1030041486.db2.gz BSHDSUQZSZJALB-BZUAXINKSA-N 1 3 361.452 2.806 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112116831 1030041494 /nfs/dbraw/zinc/04/14/94/1030041494.db2.gz BSHDSUQZSZJALB-BZUAXINKSA-N 1 3 361.452 2.806 20 0 FFADHO Cc1cccc(N(c2ncc(C)cc2CN)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165779441 1030122038 /nfs/dbraw/zinc/12/20/38/1030122038.db2.gz VOOXSWAYJFWWME-TZIWHRDSSA-N 1 3 352.482 2.816 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](NC(=O)C2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC001142349625 1030335573 /nfs/dbraw/zinc/33/55/73/1030335573.db2.gz FBCQBQIIVVXQGT-PXNSSMCTSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[N@H+]1CC[C@H](NC(=O)C2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC001142349625 1030335585 /nfs/dbraw/zinc/33/55/85/1030335585.db2.gz FBCQBQIIVVXQGT-PXNSSMCTSA-N 1 3 358.530 2.529 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000841998961 1030574893 /nfs/dbraw/zinc/57/48/93/1030574893.db2.gz XEXSRXBIAUMBLW-NRFANRHFSA-N 1 3 366.509 2.777 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699665968 1030708746 /nfs/dbraw/zinc/70/87/46/1030708746.db2.gz QATKARFNJFXNBH-FGTMMUONSA-N 1 3 369.550 2.865 20 0 FFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc3nc[nH]c31)C2 ZINC001142679515 1030714163 /nfs/dbraw/zinc/71/41/63/1030714163.db2.gz HFKWUBNZEAVSHN-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc3nc[nH]c31)C2 ZINC001142679515 1030714176 /nfs/dbraw/zinc/71/41/76/1030714176.db2.gz HFKWUBNZEAVSHN-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO Cc1ccc2c(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000842478556 1030754516 /nfs/dbraw/zinc/75/45/16/1030754516.db2.gz HWHFZTJLCINNKS-GHTZIAJQSA-N 1 3 356.466 2.820 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001112425462 1030791372 /nfs/dbraw/zinc/79/13/72/1030791372.db2.gz NGSRMLZLQWCZIL-VWPQPMDRSA-N 1 3 357.542 2.788 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000796705514 1030889129 /nfs/dbraw/zinc/88/91/29/1030889129.db2.gz UJYSLDOSFUFIKO-VQTJNVASSA-N 1 3 355.526 2.857 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001142848729 1030951226 /nfs/dbraw/zinc/95/12/26/1030951226.db2.gz ZEXAHQDNPXOQEP-MAUKXSAKSA-N 1 3 353.457 2.585 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001142848729 1030951236 /nfs/dbraw/zinc/95/12/36/1030951236.db2.gz ZEXAHQDNPXOQEP-MAUKXSAKSA-N 1 3 353.457 2.585 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001204087324 1031092446 /nfs/dbraw/zinc/09/24/46/1031092446.db2.gz ALYIFDFWCVYYCJ-XUXIUFHCSA-N 1 3 365.440 2.762 20 0 FFADHO Cn1nc(-c2ccccc2)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001143016712 1031156457 /nfs/dbraw/zinc/15/64/57/1031156457.db2.gz GQMHXHOWCMBXLV-UHFFFAOYSA-N 1 3 367.541 2.547 20 0 FFADHO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843353598 1031347819 /nfs/dbraw/zinc/34/78/19/1031347819.db2.gz DLGFBLZFWWTFMQ-UHFFFAOYSA-N 1 3 369.513 2.938 20 0 FFADHO Cc1nn(C)cc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204579440 1031375243 /nfs/dbraw/zinc/37/52/43/1031375243.db2.gz DZWUVMXJTMXDDM-NRFANRHFSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1nn(C)cc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204579440 1031375258 /nfs/dbraw/zinc/37/52/58/1031375258.db2.gz DZWUVMXJTMXDDM-NRFANRHFSA-N 1 3 368.525 2.984 20 0 FFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205379042 1031695192 /nfs/dbraw/zinc/69/51/92/1031695192.db2.gz XZHFZOCCMGUURH-UHFFFAOYSA-N 1 3 367.497 2.602 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001205452366 1031756897 /nfs/dbraw/zinc/75/68/97/1031756897.db2.gz BVAZJMIAQIGVPY-ZYSHUDEJSA-N 1 3 367.484 2.800 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cnoc3C)CCCCC2)CC[N@@H+]1C ZINC001115544790 1031822848 /nfs/dbraw/zinc/82/28/48/1031822848.db2.gz BNBCFLHCHVNDJE-ZWKOTPCHSA-N 1 3 362.518 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cnoc3C)CCCCC2)CC[N@H+]1C ZINC001115544790 1031822862 /nfs/dbraw/zinc/82/28/62/1031822862.db2.gz BNBCFLHCHVNDJE-ZWKOTPCHSA-N 1 3 362.518 2.622 20 0 FFADHO C[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)CC[C@H]1C[NH3+] ZINC001205617606 1031876785 /nfs/dbraw/zinc/87/67/85/1031876785.db2.gz LKSQTIPJXFIAPI-NEPJUHHUSA-N 1 3 355.276 2.985 20 0 FFADHO COc1ccccc1C1(CC(=O)Nc2cccc3c2CNC3)CC[NH2+]CC1 ZINC001218993695 1033446999 /nfs/dbraw/zinc/44/69/99/1033446999.db2.gz SFJIRJFPUXJHLI-UHFFFAOYSA-N 1 3 365.477 2.948 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001219028141 1033474609 /nfs/dbraw/zinc/47/46/09/1033474609.db2.gz QNVBOKAANXLSEY-SJLPKXTDSA-N 1 3 351.450 2.500 20 0 FFADHO Cc1cccc(C[C@]2(C(=O)Nc3ccc4c(c3)CNCCO4)CCC[NH2+]2)c1 ZINC001219027982 1033476162 /nfs/dbraw/zinc/47/61/62/1033476162.db2.gz JWHHXCSBBJUXQT-QFIPXVFZSA-N 1 3 365.477 2.780 20 0 FFADHO Cc1cc(Br)cc(C(C)C)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219132911 1033526537 /nfs/dbraw/zinc/52/65/37/1033526537.db2.gz AAGVKCYKVIJISI-CQSZACIVSA-N 1 3 366.303 2.628 20 0 FFADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)c3csc([C@@H]4CCCN4)n3)cc2)C1 ZINC001219235891 1033567778 /nfs/dbraw/zinc/56/77/78/1033567778.db2.gz HXMKNBSFQOKMDZ-CJNGLKHVSA-N 1 3 371.510 2.747 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCC)[C@H]2C1 ZINC001223883643 1033625052 /nfs/dbraw/zinc/62/50/52/1033625052.db2.gz RYMCTALLWDEHSZ-AABGKKOBSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCC)[C@H]2C1 ZINC001223883643 1033625059 /nfs/dbraw/zinc/62/50/59/1033625059.db2.gz RYMCTALLWDEHSZ-AABGKKOBSA-N 1 3 365.562 2.600 20 0 FFADHO N[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1Cc2ccccc2C1 ZINC001219999597 1033934059 /nfs/dbraw/zinc/93/40/59/1033934059.db2.gz YCVYIZQWVBOGKN-YADHBBJMSA-N 1 3 363.505 2.682 20 0 FFADHO CC(C)(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(C(F)(F)F)cc1 ZINC001220066255 1033969352 /nfs/dbraw/zinc/96/93/52/1033969352.db2.gz WUQUTLUVKXECDC-HNNXBMFYSA-N 1 3 369.431 2.931 20 0 FFADHO CC(C)(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC001220066255 1033969360 /nfs/dbraw/zinc/96/93/60/1033969360.db2.gz WUQUTLUVKXECDC-HNNXBMFYSA-N 1 3 369.431 2.931 20 0 FFADHO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220769943 1034390279 /nfs/dbraw/zinc/39/02/79/1034390279.db2.gz RPEQZFYBLUHULY-JBYIUTFZSA-N 1 3 368.525 2.585 20 0 FFADHO COc1ccc(CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c2ccccc12 ZINC001220814952 1034412607 /nfs/dbraw/zinc/41/26/07/1034412607.db2.gz UZGBKNNZEJIWCQ-IBGZPJMESA-N 1 3 357.498 2.960 20 0 FFADHO O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1csc([C@H]2CCCN2)n1 ZINC001220917267 1034459317 /nfs/dbraw/zinc/45/93/17/1034459317.db2.gz UILHWNHVBAKRKW-JKSUJKDBSA-N 1 3 362.543 2.952 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1csc([C@H]2CCCN2)n1 ZINC001220917267 1034459320 /nfs/dbraw/zinc/45/93/20/1034459320.db2.gz UILHWNHVBAKRKW-JKSUJKDBSA-N 1 3 362.543 2.952 20 0 FFADHO N[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCc2cc(F)ccc2C1 ZINC001220919126 1034459556 /nfs/dbraw/zinc/45/95/56/1034459556.db2.gz UYMBVWDLLMAXGS-WIYYLYMNSA-N 1 3 359.489 2.535 20 0 FFADHO N[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCc2cc(F)ccc2C1 ZINC001220919126 1034459558 /nfs/dbraw/zinc/45/95/58/1034459558.db2.gz UYMBVWDLLMAXGS-WIYYLYMNSA-N 1 3 359.489 2.535 20 0 FFADHO COc1cccc([C@H](N)CC(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)c1 ZINC001220917038 1034459783 /nfs/dbraw/zinc/45/97/83/1034459783.db2.gz KGPATGRYXWEKPW-AZUAARDMSA-N 1 3 359.514 2.856 20 0 FFADHO COc1cccc([C@H](N)CC(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC001220917038 1034459793 /nfs/dbraw/zinc/45/97/93/1034459793.db2.gz KGPATGRYXWEKPW-AZUAARDMSA-N 1 3 359.514 2.856 20 0 FFADHO CC(C)N1CCC2(CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)C1=O ZINC001138773559 1034640912 /nfs/dbraw/zinc/64/09/12/1034640912.db2.gz HSGZDVDPISXDJC-UHFFFAOYSA-N 1 3 373.541 2.850 20 0 FFADHO CN1CCC[C@@H](NC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001221293175 1034654975 /nfs/dbraw/zinc/65/49/75/1034654975.db2.gz AXYMPTZXQSLZOX-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCC[C@@H](NC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001221293175 1034654983 /nfs/dbraw/zinc/65/49/83/1034654983.db2.gz AXYMPTZXQSLZOX-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1CCC ZINC001226613524 1034758611 /nfs/dbraw/zinc/75/86/11/1034758611.db2.gz JZKVCRPXZSOVLI-QRVBRYPASA-N 1 3 353.551 2.695 20 0 FFADHO Cc1c(CN2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)ccc(F)c1F ZINC001277144698 1034774503 /nfs/dbraw/zinc/77/45/03/1034774503.db2.gz KWFDUBNDLCWEBC-FQEVSTJZSA-N 1 3 365.468 2.792 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CC1 ZINC001138884717 1034777345 /nfs/dbraw/zinc/77/73/45/1034777345.db2.gz QVWVPOOBJGMBSL-UHFFFAOYSA-N 1 3 371.504 2.675 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001139015194 1034884381 /nfs/dbraw/zinc/88/43/81/1034884381.db2.gz CVJRMMWPSCBHHB-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001221811614 1035085515 /nfs/dbraw/zinc/08/55/15/1035085515.db2.gz CFWKAECKCVWILZ-QHAWAJNXSA-N 1 3 357.542 2.882 20 0 FFADHO COc1ccncc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001139607726 1035177662 /nfs/dbraw/zinc/17/76/62/1035177662.db2.gz BYMUJXMYYFXYAF-SFHVURJKSA-N 1 3 371.481 2.939 20 0 FFADHO COc1ccncc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001139607726 1035177667 /nfs/dbraw/zinc/17/76/67/1035177667.db2.gz BYMUJXMYYFXYAF-SFHVURJKSA-N 1 3 371.481 2.939 20 0 FFADHO Cc1ccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1Br ZINC001139728459 1035209857 /nfs/dbraw/zinc/20/98/57/1035209857.db2.gz FEDFYXKCLHZHOX-ZWKOTPCHSA-N 1 3 366.347 2.968 20 0 FFADHO Cc1ccc(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)cn1 ZINC001139931358 1035281827 /nfs/dbraw/zinc/28/18/27/1035281827.db2.gz MMHUNUSFPNBKBH-UHFFFAOYSA-N 1 3 366.509 2.900 20 0 FFADHO c1[nH]c2ncncc2c1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001232657029 1035917044 /nfs/dbraw/zinc/91/70/44/1035917044.db2.gz LOPMSKLNAQXBEW-UHFFFAOYSA-N 1 3 362.481 2.793 20 0 FFADHO c1[nH]c2ncncc2c1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001232657029 1035917054 /nfs/dbraw/zinc/91/70/54/1035917054.db2.gz LOPMSKLNAQXBEW-UHFFFAOYSA-N 1 3 362.481 2.793 20 0 FFADHO C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001228355722 1036067349 /nfs/dbraw/zinc/06/73/49/1036067349.db2.gz SEWVXGANTVGMNX-FSPWUOQZSA-N 1 3 353.457 2.995 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1)CC(C)(C)C ZINC001228647402 1036229105 /nfs/dbraw/zinc/22/91/05/1036229105.db2.gz SIQSEZPZINICOE-RCCFBDPRSA-N 1 3 367.578 2.796 20 0 FFADHO Cc1cc(F)cc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1Cl ZINC001277774326 1036421652 /nfs/dbraw/zinc/42/16/52/1036421652.db2.gz GKWMNBFLGAIXLT-LJQANCHMSA-N 1 3 367.896 2.774 20 0 FFADHO CCCCN1CCC([N@H+](C)Cc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001233269008 1036477834 /nfs/dbraw/zinc/47/78/34/1036477834.db2.gz IWBJBNKUMFJBAA-UHFFFAOYSA-N 1 3 353.532 2.754 20 0 FFADHO CCCCN1CCC([N@@H+](C)Cc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001233269008 1036477839 /nfs/dbraw/zinc/47/78/39/1036477839.db2.gz IWBJBNKUMFJBAA-UHFFFAOYSA-N 1 3 353.532 2.754 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001229173792 1036534869 /nfs/dbraw/zinc/53/48/69/1036534869.db2.gz IAAWCJIDEVBEFX-IPMKNSEASA-N 1 3 353.551 2.552 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC001229860039 1036942104 /nfs/dbraw/zinc/94/21/04/1036942104.db2.gz KOLMGPJIOBTHDT-RTBURBONSA-N 1 3 360.546 2.611 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C)cc1 ZINC001229877068 1036954055 /nfs/dbraw/zinc/95/40/55/1036954055.db2.gz LNHRBYMWRJSGEB-WOJBJXKFSA-N 1 3 361.530 2.733 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC001229939671 1036990800 /nfs/dbraw/zinc/99/08/00/1036990800.db2.gz IXWSSXBPIARYJP-RTBURBONSA-N 1 3 370.497 2.747 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CC/C=C/c2ccccc2)CC[N@@H+]1C ZINC001234402165 1037023110 /nfs/dbraw/zinc/02/31/10/1037023110.db2.gz IZQYCGIXVMONPE-KUYOEMAJSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CC/C=C/c2ccccc2)CC[N@H+]1C ZINC001234402165 1037023121 /nfs/dbraw/zinc/02/31/21/1037023121.db2.gz IZQYCGIXVMONPE-KUYOEMAJSA-N 1 3 355.526 2.963 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001230263238 1037183873 /nfs/dbraw/zinc/18/38/73/1037183873.db2.gz MSVYKTSTMZPIKH-IAGOWNOFSA-N 1 3 350.532 2.536 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC001230279411 1037189028 /nfs/dbraw/zinc/18/90/28/1037189028.db2.gz AXUQYOJOSIJYJN-HZPDHXFCSA-N 1 3 352.910 2.592 20 0 FFADHO c1ccc(C[NH+]2CCC(CN3CCN(c4cncnc4)CC3)CC2)cc1 ZINC001207293882 1037322240 /nfs/dbraw/zinc/32/22/40/1037322240.db2.gz MAGSKUSIPWTNFR-UHFFFAOYSA-N 1 3 351.498 2.511 20 0 FFADHO C[NH+]1CCC(CN2CCC(c3cccc(S(C)(=O)=O)c3)CC2)CC1 ZINC001207401720 1037418651 /nfs/dbraw/zinc/41/86/51/1037418651.db2.gz SFTFIJQYAOOSRU-UHFFFAOYSA-N 1 3 350.528 2.611 20 0 FFADHO Nc1ccc(OC(F)(F)F)cc1CN1CCC(OC2CC[NH2+]CC2)CC1 ZINC001235298370 1037459283 /nfs/dbraw/zinc/45/92/83/1037459283.db2.gz ZDYFIBVEISAXEJ-UHFFFAOYSA-N 1 3 373.419 2.900 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)CC1 ZINC001207483331 1037481648 /nfs/dbraw/zinc/48/16/48/1037481648.db2.gz WCZZCQDYYAEYSD-PWRODBHTSA-N 1 3 359.514 2.562 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(OC)cc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235348683 1037494975 /nfs/dbraw/zinc/49/49/75/1037494975.db2.gz FYECPGACXMOBKV-KXBFYZLASA-N 1 3 366.889 2.713 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(F)cc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235351074 1037498151 /nfs/dbraw/zinc/49/81/51/1037498151.db2.gz WYDDBHGCCQUWMD-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO Cc1cc(F)cc(Br)c1CN1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235379709 1037516904 /nfs/dbraw/zinc/51/69/04/1037516904.db2.gz QGVUFRRRJPASIN-DXCKQFNASA-N 1 3 369.278 2.849 20 0 FFADHO CN(Cc1cc(I)ccc1F)CC1CC[NH2+]CC1 ZINC001235433840 1037548133 /nfs/dbraw/zinc/54/81/33/1037548133.db2.gz SSPQVAJJEZZAGI-UHFFFAOYSA-N 1 3 362.230 2.862 20 0 FFADHO [NH3+][C@H](Cc1ccccc1)CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001235599359 1037639252 /nfs/dbraw/zinc/63/92/52/1037639252.db2.gz YFYXXVATYLMMMW-SJBKTWHCSA-N 1 3 369.484 2.533 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001207749898 1037694370 /nfs/dbraw/zinc/69/43/70/1037694370.db2.gz GFXRFVYMHDFUJP-OWCLPIDISA-N 1 3 359.505 2.979 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001207749898 1037694375 /nfs/dbraw/zinc/69/43/75/1037694375.db2.gz GFXRFVYMHDFUJP-OWCLPIDISA-N 1 3 359.505 2.979 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](OC)c2ccccc2)C[C@H]1C ZINC001207757426 1037696981 /nfs/dbraw/zinc/69/69/81/1037696981.db2.gz BNFOKWKTCZIUAM-QRQLOZEOSA-N 1 3 361.530 2.541 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](OC)c2ccccc2)C[C@H]1C ZINC001207757426 1037696988 /nfs/dbraw/zinc/69/69/88/1037696988.db2.gz BNFOKWKTCZIUAM-QRQLOZEOSA-N 1 3 361.530 2.541 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207796346 1037735746 /nfs/dbraw/zinc/73/57/46/1037735746.db2.gz STSUFFJXEPBBAD-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207796346 1037735766 /nfs/dbraw/zinc/73/57/66/1037735766.db2.gz STSUFFJXEPBBAD-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO Cc1c(Cl)ccc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1F ZINC001277561528 1037880422 /nfs/dbraw/zinc/88/04/22/1037880422.db2.gz BNWCZLWHMPNASM-IBGZPJMESA-N 1 3 367.896 2.774 20 0 FFADHO COC(=O)c1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001236321319 1038046193 /nfs/dbraw/zinc/04/61/93/1038046193.db2.gz IGLZTTBPPVAGDT-OKILXGFUSA-N 1 3 367.287 2.667 20 0 FFADHO CN(C)CC1(C[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)CCCC1 ZINC001208186577 1038122560 /nfs/dbraw/zinc/12/25/60/1038122560.db2.gz VPKKDNXGQZJYGI-KRWDZBQOSA-N 1 3 353.551 2.504 20 0 FFADHO CN(C)CC1(C[N@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)CCCC1 ZINC001208186577 1038122569 /nfs/dbraw/zinc/12/25/69/1038122569.db2.gz VPKKDNXGQZJYGI-KRWDZBQOSA-N 1 3 353.551 2.504 20 0 FFADHO CCN(Cc1cccc(C[NH3+])c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001236633750 1038165576 /nfs/dbraw/zinc/16/55/76/1038165576.db2.gz LCZQJZJTDOROTA-JOCHJYFZSA-N 1 3 353.510 2.868 20 0 FFADHO C[C@H](Cc1ccc(F)cc1)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001255862793 1038212181 /nfs/dbraw/zinc/21/21/81/1038212181.db2.gz UZHKTBBRLKUMGN-QGZVFWFLSA-N 1 3 369.484 2.866 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255940955 1038266904 /nfs/dbraw/zinc/26/69/04/1038266904.db2.gz JVEAVPUFMFGBFT-BSDSXHPESA-N 1 3 369.550 2.578 20 0 FFADHO CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001208401942 1038286167 /nfs/dbraw/zinc/28/61/67/1038286167.db2.gz LSUKZHWOTJWROS-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001208401942 1038286180 /nfs/dbraw/zinc/28/61/80/1038286180.db2.gz LSUKZHWOTJWROS-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO CCOC(=O)N1CC[C@@H](N2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)C1 ZINC001256034462 1038326358 /nfs/dbraw/zinc/32/63/58/1038326358.db2.gz XRZJFXZUFRQXNG-HSALFYBXSA-N 1 3 357.498 2.589 20 0 FFADHO CCOC(=O)N1CC[C@@H](N2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)C1 ZINC001256034462 1038326371 /nfs/dbraw/zinc/32/63/71/1038326371.db2.gz XRZJFXZUFRQXNG-HSALFYBXSA-N 1 3 357.498 2.589 20 0 FFADHO CN1CCN(c2cccc(CN3CCCC[C@H]3C[NH+]3CCCC3)c2)CC1 ZINC001236900841 1038341854 /nfs/dbraw/zinc/34/18/54/1038341854.db2.gz ZUZPOGOAIJSJRZ-QFIPXVFZSA-N 1 3 356.558 2.889 20 0 FFADHO c1cnc(N2CCC([NH2+]C3CCN(C[C@@H]4CC=CCC4)CC3)CC2)nc1 ZINC001256055977 1038348071 /nfs/dbraw/zinc/34/80/71/1038348071.db2.gz JWVLSKVYIMXRFZ-GOSISDBHSA-N 1 3 355.530 2.856 20 0 FFADHO O=C1C[C@H](c2ccccc2)C2(CCN(C3CC[NH+](C4CC4)CC3)CC2)N1 ZINC001256079295 1038367706 /nfs/dbraw/zinc/36/77/06/1038367706.db2.gz ZHBNFVKCUKRWCO-HXUWFJFHSA-N 1 3 353.510 2.752 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C)[NH+](C)C ZINC001208527830 1038386700 /nfs/dbraw/zinc/38/67/00/1038386700.db2.gz SYJCSAPAIHXYQZ-XFQXTVEOSA-N 1 3 357.498 2.956 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cc(Cl)ccc2F)C2CC2)CC[N@@H+]1C ZINC001276588597 1038536247 /nfs/dbraw/zinc/53/62/47/1038536247.db2.gz KFQILPVRLQEODF-NJAPINKUSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cc(Cl)ccc2F)C2CC2)CC[N@H+]1C ZINC001276588597 1038536254 /nfs/dbraw/zinc/53/62/54/1038536254.db2.gz KFQILPVRLQEODF-NJAPINKUSA-N 1 3 367.896 2.804 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256676545 1038598463 /nfs/dbraw/zinc/59/84/63/1038598463.db2.gz DUKQUUVUUKIEIJ-UHYCVJNDSA-N 1 3 367.534 2.619 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856910 1038636911 /nfs/dbraw/zinc/63/69/11/1038636911.db2.gz OBMOXDZIIIHGBY-HDICACEKSA-N 1 3 358.486 2.744 20 0 FFADHO CCOCc1ncn2c1CN(C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC001256859956 1038637635 /nfs/dbraw/zinc/63/76/35/1038637635.db2.gz TYOPQWPEIKJPOO-UHFFFAOYSA-N 1 3 355.486 2.689 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)N1CCN(CCC[NH+](C)C)CC1 ZINC001257566130 1038867152 /nfs/dbraw/zinc/86/71/52/1038867152.db2.gz XLIAWVQLCCEGKI-INIZCTEOSA-N 1 3 368.363 2.949 20 0 FFADHO Cn1ccc(CN2CCCC23CCN(CCC[NH+]2CCCCC2)CC3)n1 ZINC001209449988 1038874868 /nfs/dbraw/zinc/87/48/68/1038874868.db2.gz GJQZYVPLIRIYAC-UHFFFAOYSA-N 1 3 359.562 2.727 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209506132 1038938235 /nfs/dbraw/zinc/93/82/35/1038938235.db2.gz FSTXWQIJZGBSEE-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@H](O)COc3cccc4[nH]c5ccccc5c43)C[C@@H]2C1 ZINC001251093305 1038942557 /nfs/dbraw/zinc/94/25/57/1038942557.db2.gz BPNBYUZSSFRBAW-BBWFWOEESA-N 1 3 365.477 2.554 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@H](O)COc3cccc4[nH]c5ccccc5c43)C[C@@H]2C1 ZINC001251093305 1038942569 /nfs/dbraw/zinc/94/25/69/1038942569.db2.gz BPNBYUZSSFRBAW-BBWFWOEESA-N 1 3 365.477 2.554 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251146604 1038967116 /nfs/dbraw/zinc/96/71/16/1038967116.db2.gz COMONDGIFHEFKV-JFIYKMOQSA-N 1 3 367.493 2.991 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251146604 1038967124 /nfs/dbraw/zinc/96/71/24/1038967124.db2.gz COMONDGIFHEFKV-JFIYKMOQSA-N 1 3 367.493 2.991 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251146605 1038967601 /nfs/dbraw/zinc/96/76/01/1038967601.db2.gz COMONDGIFHEFKV-NUJGCVRESA-N 1 3 367.493 2.991 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251146605 1038967613 /nfs/dbraw/zinc/96/76/13/1038967613.db2.gz COMONDGIFHEFKV-NUJGCVRESA-N 1 3 367.493 2.991 20 0 FFADHO c1c([C@H]2C[NH2+]CCO2)cn2c1cccc2C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245424602 1039001735 /nfs/dbraw/zinc/00/17/35/1039001735.db2.gz HQZBAABYDHTZAY-DENIHFKCSA-N 1 3 367.493 2.868 20 0 FFADHO [NH3+]C1CCN(Cc2cccc(C3=CC[C@H](N4CCOCC4)CC3)c2)CC1 ZINC001245429739 1039007981 /nfs/dbraw/zinc/00/79/81/1039007981.db2.gz VXFBNPGKHZISBI-QFIPXVFZSA-N 1 3 355.526 2.878 20 0 FFADHO CN1CC[C@@H]2C[N@@H+](C3C[C@H]4C[C@@H](C3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001257847007 1039010328 /nfs/dbraw/zinc/01/03/28/1039010328.db2.gz OVJRZJFEAMHAND-AQVVAKNZSA-N 1 3 363.546 2.906 20 0 FFADHO CN1CC[C@@H]2C[N@H+](C3C[C@H]4C[C@@H](C3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001257847007 1039010344 /nfs/dbraw/zinc/01/03/44/1039010344.db2.gz OVJRZJFEAMHAND-AQVVAKNZSA-N 1 3 363.546 2.906 20 0 FFADHO COC(=O)C1CCC([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)CC1 ZINC001257863765 1039024373 /nfs/dbraw/zinc/02/43/73/1039024373.db2.gz RHYFOHGOIRNZSO-UHFFFAOYSA-N 1 3 374.529 2.582 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001245984561 1039176885 /nfs/dbraw/zinc/17/68/85/1039176885.db2.gz QVRBULDNQULACI-BRWVUGGUSA-N 1 3 367.493 2.896 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc(OC(F)(F)F)cc1 ZINC001245992146 1039179281 /nfs/dbraw/zinc/17/92/81/1039179281.db2.gz FPUICXUSXYUFMP-ZWKOTPCHSA-N 1 3 368.399 2.648 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001246021615 1039197643 /nfs/dbraw/zinc/19/76/43/1039197643.db2.gz UBYLPEJKIYEANI-CADBVGFASA-N 1 3 366.839 2.995 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001246021615 1039197655 /nfs/dbraw/zinc/19/76/55/1039197655.db2.gz UBYLPEJKIYEANI-CADBVGFASA-N 1 3 366.839 2.995 20 0 FFADHO CN1C(=O)CCC12CCN(C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258150071 1039232437 /nfs/dbraw/zinc/23/24/37/1039232437.db2.gz WCVBDZKYWBIQPJ-UHFFFAOYSA-N 1 3 355.526 2.780 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001246117950 1039247671 /nfs/dbraw/zinc/24/76/71/1039247671.db2.gz NSCDSHHKBGKAQM-SJKOYZFVSA-N 1 3 353.869 2.671 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@@H]3CNCC34CC4)CC[C@H]2C1 ZINC001246127119 1039251439 /nfs/dbraw/zinc/25/14/39/1039251439.db2.gz AMIVJYZGUULNLQ-VNTMZGSJSA-N 1 3 353.510 2.659 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CCN1 ZINC001246199415 1039275281 /nfs/dbraw/zinc/27/52/81/1039275281.db2.gz WCVRSSLIAFBNEN-MWDXBVQZSA-N 1 3 370.534 2.749 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957843 1039303575 /nfs/dbraw/zinc/30/35/75/1039303575.db2.gz KNVKXTUBNXHAAR-UYAOXDASSA-N 1 3 367.578 2.606 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2Cl)C[C@H]1C ZINC001210040237 1039345177 /nfs/dbraw/zinc/34/51/77/1039345177.db2.gz DEEHQMYIBXKSHB-CRAIPNDOSA-N 1 3 351.922 2.661 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2Cl)C[C@H]1C ZINC001210040237 1039345188 /nfs/dbraw/zinc/34/51/88/1039345188.db2.gz DEEHQMYIBXKSHB-CRAIPNDOSA-N 1 3 351.922 2.661 20 0 FFADHO CCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001258478035 1039388034 /nfs/dbraw/zinc/38/80/34/1039388034.db2.gz ODBONUNJMFNLIN-GOSISDBHSA-N 1 3 361.530 2.646 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCc4ccc(C)cc4C3)C[C@@H]1CNCCC2 ZINC001246600277 1039411203 /nfs/dbraw/zinc/41/12/03/1039411203.db2.gz DRMOPLXZOKBQDZ-ONTIZHBOSA-N 1 3 356.510 2.717 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCc4ccc(C)cc4C3)C[C@@H]1CNCCC2 ZINC001246600277 1039411210 /nfs/dbraw/zinc/41/12/10/1039411210.db2.gz DRMOPLXZOKBQDZ-ONTIZHBOSA-N 1 3 356.510 2.717 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@H]1C ZINC001210179155 1039422310 /nfs/dbraw/zinc/42/23/10/1039422310.db2.gz JNSWHVNKBIZLAL-QRVBRYPASA-N 1 3 353.551 2.504 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1C ZINC001210179155 1039422317 /nfs/dbraw/zinc/42/23/17/1039422317.db2.gz JNSWHVNKBIZLAL-QRVBRYPASA-N 1 3 353.551 2.504 20 0 FFADHO Clc1ccccc1N1CCC(N2CC[NH2+]C[C@]3(CCCCN3)C2)CC1 ZINC001246633622 1039424943 /nfs/dbraw/zinc/42/49/43/1039424943.db2.gz OPAULWYNKFNPNA-HXUWFJFHSA-N 1 3 362.949 2.726 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]23CNC[C@@H](C[C@H]2C1)O3 ZINC001246687806 1039439307 /nfs/dbraw/zinc/43/93/07/1039439307.db2.gz WZILNPPECDMMDH-OXXUSNJHSA-N 1 3 365.315 2.833 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]23CNC[C@@H](C[C@H]2C1)O3 ZINC001246687806 1039439309 /nfs/dbraw/zinc/43/93/09/1039439309.db2.gz WZILNPPECDMMDH-OXXUSNJHSA-N 1 3 365.315 2.833 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1C ZINC001210236788 1039442502 /nfs/dbraw/zinc/44/25/02/1039442502.db2.gz QFWLUVUZSPHECM-UYAOXDASSA-N 1 3 367.578 2.894 20 0 FFADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246721911 1039449908 /nfs/dbraw/zinc/44/99/08/1039449908.db2.gz POXOBHPPOFUTKO-KAGYGMCKSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CCN1 ZINC001246721911 1039449914 /nfs/dbraw/zinc/44/99/14/1039449914.db2.gz POXOBHPPOFUTKO-KAGYGMCKSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CCN1 ZINC001246721911 1039449917 /nfs/dbraw/zinc/44/99/17/1039449917.db2.gz POXOBHPPOFUTKO-KAGYGMCKSA-N 1 3 355.526 2.684 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C3)n1 ZINC001246753022 1039465969 /nfs/dbraw/zinc/46/59/69/1039465969.db2.gz NLNLJTXGBNNPFD-BDKRGJGYSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+]([C@@H]2CCN[C@@H](C)C2)C3)n1 ZINC001246753022 1039465976 /nfs/dbraw/zinc/46/59/76/1039465976.db2.gz NLNLJTXGBNNPFD-BDKRGJGYSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@@H]2CC[NH2+][C@@H](C)C2)C3)n1 ZINC001246753022 1039465987 /nfs/dbraw/zinc/46/59/87/1039465987.db2.gz NLNLJTXGBNNPFD-BDKRGJGYSA-N 1 3 373.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)CC[NH2+]1 ZINC001246767787 1039473370 /nfs/dbraw/zinc/47/33/70/1039473370.db2.gz NJGMGLMLMJHTJZ-WLRLJWMZSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)CCN1 ZINC001246767787 1039473379 /nfs/dbraw/zinc/47/33/79/1039473379.db2.gz NJGMGLMLMJHTJZ-WLRLJWMZSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)CCN1 ZINC001246767787 1039473384 /nfs/dbraw/zinc/47/33/84/1039473384.db2.gz NJGMGLMLMJHTJZ-WLRLJWMZSA-N 1 3 359.514 2.610 20 0 FFADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258660112 1039479245 /nfs/dbraw/zinc/47/92/45/1039479245.db2.gz XRKCBVQTHGVXOG-HXUWFJFHSA-N 1 3 368.525 2.922 20 0 FFADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258660112 1039479249 /nfs/dbraw/zinc/47/92/49/1039479249.db2.gz XRKCBVQTHGVXOG-HXUWFJFHSA-N 1 3 368.525 2.922 20 0 FFADHO O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246785845 1039480784 /nfs/dbraw/zinc/48/07/84/1039480784.db2.gz ANBNFTCGJKDKKT-QOPFVKLFSA-N 1 3 351.494 2.670 20 0 FFADHO C[C@@H]1C[C@@H](N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC(C)(C)C1 ZINC001258695697 1039483997 /nfs/dbraw/zinc/48/39/97/1039483997.db2.gz FRNDWZWMCLJACL-HUUCEWRRSA-N 1 3 362.518 2.539 20 0 FFADHO Brc1cccc([C@@H]2CN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2)c1 ZINC001246808677 1039488966 /nfs/dbraw/zinc/48/89/66/1039488966.db2.gz YCAISQHSZGFKHW-YVSFHVDLSA-N 1 3 350.304 2.678 20 0 FFADHO Brc1cccc([C@H]2CN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2)c1 ZINC001246808678 1039489017 /nfs/dbraw/zinc/48/90/17/1039489017.db2.gz YCAISQHSZGFKHW-YYIAUSFCSA-N 1 3 350.304 2.678 20 0 FFADHO CCCC[C@H](CCC)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001258761746 1039501221 /nfs/dbraw/zinc/50/12/21/1039501221.db2.gz PMBHTEPQSGEXHZ-IBGZPJMESA-N 1 3 366.594 2.516 20 0 FFADHO CN(C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001253024056 1039925183 /nfs/dbraw/zinc/92/51/83/1039925183.db2.gz QNJHEBFSERXKBF-HSALFYBXSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCC1 ZINC001211376658 1040121672 /nfs/dbraw/zinc/12/16/72/1040121672.db2.gz NDMUQDVINIUCCU-DJIMGWMZSA-N 1 3 357.489 2.589 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCC1 ZINC001211376658 1040121685 /nfs/dbraw/zinc/12/16/85/1040121685.db2.gz NDMUQDVINIUCCU-DJIMGWMZSA-N 1 3 357.489 2.589 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001253408857 1040158915 /nfs/dbraw/zinc/15/89/15/1040158915.db2.gz JTOSJPFGADJSJY-INIZCTEOSA-N 1 3 371.928 2.782 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001253410400 1040159384 /nfs/dbraw/zinc/15/93/84/1040159384.db2.gz IWPLXXBIQXLGGJ-INIZCTEOSA-N 1 3 369.550 2.505 20 0 FFADHO CC[NH+]1CCC(NC[C@@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001253431744 1040179031 /nfs/dbraw/zinc/17/90/31/1040179031.db2.gz ZOEGVZAJYIYILE-LJQANCHMSA-N 1 3 362.514 2.576 20 0 FFADHO CC[NH+]1CCC(CC2CCN(C[C@@H](O)C(=O)OC(C)(C)C)CC2)CC1 ZINC001253691637 1040324341 /nfs/dbraw/zinc/32/43/41/1040324341.db2.gz SCSBDDLTHAMXSE-GOSISDBHSA-N 1 3 354.535 2.523 20 0 FFADHO CC(C)(C)[C@H](O)CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001253723764 1040340781 /nfs/dbraw/zinc/34/07/81/1040340781.db2.gz IIQXNAJWCGBGNG-SJBKTWHCSA-N 1 3 364.574 2.854 20 0 FFADHO CC(C)(C)[C@H](O)CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001253723764 1040340800 /nfs/dbraw/zinc/34/08/00/1040340800.db2.gz IIQXNAJWCGBGNG-SJBKTWHCSA-N 1 3 364.574 2.854 20 0 FFADHO O=C1[C@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCN1C1CC1 ZINC001253794520 1040370958 /nfs/dbraw/zinc/37/09/58/1040370958.db2.gz PGZXJBSERLZZAY-HXUWFJFHSA-N 1 3 353.510 2.738 20 0 FFADHO O=C1[C@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1C1CC1 ZINC001253794520 1040370974 /nfs/dbraw/zinc/37/09/74/1040370974.db2.gz PGZXJBSERLZZAY-HXUWFJFHSA-N 1 3 353.510 2.738 20 0 FFADHO Cn1c(=O)cccc1CN1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001248806839 1040443399 /nfs/dbraw/zinc/44/33/99/1040443399.db2.gz VMBVBTZUYSAHIA-UHFFFAOYSA-N 1 3 357.523 2.935 20 0 FFADHO Cn1c(=O)cccc1CN1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001248806839 1040443402 /nfs/dbraw/zinc/44/34/02/1040443402.db2.gz VMBVBTZUYSAHIA-UHFFFAOYSA-N 1 3 357.523 2.935 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001254023826 1040527363 /nfs/dbraw/zinc/52/73/63/1040527363.db2.gz REGXTKWSRDFZRP-FGTMMUONSA-N 1 3 350.503 2.676 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434631 1040548858 /nfs/dbraw/zinc/54/88/58/1040548858.db2.gz JIMLJTOFDFLQHK-HSALFYBXSA-N 1 3 365.562 2.813 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCC2CCCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434873 1040550559 /nfs/dbraw/zinc/55/05/59/1040550559.db2.gz NZIFFBUIFSXKFM-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CCC2CCCC2)C[C@H]1OC)C(C)C ZINC001213592594 1040697875 /nfs/dbraw/zinc/69/78/75/1040697875.db2.gz AWDYTEVWQFQCJV-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1CN([C@@H](C)c2cccc(C)c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747332 1040868456 /nfs/dbraw/zinc/86/84/56/1040868456.db2.gz HFYFOFDFNCZHTF-DFQSSKMNSA-N 1 3 361.530 2.603 20 0 FFADHO CCN(C)C1CC[NH+]([C@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254832407 1040992731 /nfs/dbraw/zinc/99/27/31/1040992731.db2.gz XUQQHMWKSLAEHF-KRWDZBQOSA-N 1 3 367.534 2.571 20 0 FFADHO CN1C(=O)[C@@H](c2ccccc2)CC12CCN([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857764 1041010793 /nfs/dbraw/zinc/01/07/93/1041010793.db2.gz CKFBMSKAHYYSAP-NHCUHLMSSA-N 1 3 367.537 2.951 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213931098 1041081493 /nfs/dbraw/zinc/08/14/93/1041081493.db2.gz CWNGAWBHHVJKQW-AHSYYPKJSA-N 1 3 365.562 2.669 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213932164 1041081730 /nfs/dbraw/zinc/08/17/30/1041081730.db2.gz XNMIFUNQGSSBGN-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213932164 1041081744 /nfs/dbraw/zinc/08/17/44/1041081744.db2.gz XNMIFUNQGSSBGN-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001213934473 1041086166 /nfs/dbraw/zinc/08/61/66/1041086166.db2.gz UWRMGZXGFDEUGO-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001213934473 1041086171 /nfs/dbraw/zinc/08/61/71/1041086171.db2.gz UWRMGZXGFDEUGO-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](N3CC4(C3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC001255115038 1041151302 /nfs/dbraw/zinc/15/13/02/1041151302.db2.gz SEDYOXVFASISRU-QFIPXVFZSA-N 1 3 362.521 2.864 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](N3CC4(C3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC001255115038 1041151308 /nfs/dbraw/zinc/15/13/08/1041151308.db2.gz SEDYOXVFASISRU-QFIPXVFZSA-N 1 3 362.521 2.864 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@@H](N4CCOCC4)C2)C3)cc1 ZINC001255143349 1041168699 /nfs/dbraw/zinc/16/86/99/1041168699.db2.gz KOBQFHTYILNNOH-MBDNFAEBSA-N 1 3 355.526 2.589 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[C@@H](N4CCOCC4)C2)C3)cc1 ZINC001255143349 1041168706 /nfs/dbraw/zinc/16/87/06/1041168706.db2.gz KOBQFHTYILNNOH-MBDNFAEBSA-N 1 3 355.526 2.589 20 0 FFADHO COCCCN1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255145997 1041169561 /nfs/dbraw/zinc/16/95/61/1041169561.db2.gz YLJVFFYOLPUBFH-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO COCCCN1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255145997 1041169567 /nfs/dbraw/zinc/16/95/67/1041169567.db2.gz YLJVFFYOLPUBFH-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO Cn1cc2c(n1)[C@@H](C[NH2+][C@@H]1CCCN(Cc3ccccc3)CC1)OCC2 ZINC001255383977 1041311810 /nfs/dbraw/zinc/31/18/10/1041311810.db2.gz QSHSOFRSJGUSNV-WOJBJXKFSA-N 1 3 354.498 2.678 20 0 FFADHO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409599 1041327476 /nfs/dbraw/zinc/32/74/76/1041327476.db2.gz IQANXQBPDNIMMS-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409599 1041327483 /nfs/dbraw/zinc/32/74/83/1041327483.db2.gz IQANXQBPDNIMMS-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1cccc(F)c1 ZINC001250822934 1041385777 /nfs/dbraw/zinc/38/57/77/1041385777.db2.gz VLVTVQOHTZQZFV-ICSRJNTNSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc(F)c1 ZINC001250822934 1041385787 /nfs/dbraw/zinc/38/57/87/1041385787.db2.gz VLVTVQOHTZQZFV-ICSRJNTNSA-N 1 3 358.457 2.677 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001214754870 1041563135 /nfs/dbraw/zinc/56/31/35/1041563135.db2.gz JZJPHJSADBLCGK-ZTFGCOKTSA-N 1 3 369.912 2.956 20 0 FFADHO Cc1ccccc1[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001262483248 1041700609 /nfs/dbraw/zinc/70/06/09/1041700609.db2.gz ZTDRTHOHFZNZDE-HAGHYFMRSA-N 1 3 355.526 2.931 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC/C=C\c3ccccc3)C2)C1 ZINC001215541061 1041820409 /nfs/dbraw/zinc/82/04/09/1041820409.db2.gz WGCNUAMHOHTFRJ-BHFNWIEQSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001215541349 1041820726 /nfs/dbraw/zinc/82/07/26/1041820726.db2.gz YVLHLXGDQSFTDZ-WSTZPKSXSA-N 1 3 365.562 2.647 20 0 FFADHO CCCOc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)c1 ZINC001215999067 1041927704 /nfs/dbraw/zinc/92/77/04/1041927704.db2.gz NMYGEJUQIGPIPY-YLJYHZDGSA-N 1 3 361.530 2.754 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001216214074 1041978966 /nfs/dbraw/zinc/97/89/66/1041978966.db2.gz VXRAUJLLAFCQIZ-QWQRMKEZSA-N 1 3 353.457 2.804 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001216214074 1041978973 /nfs/dbraw/zinc/97/89/73/1041978973.db2.gz VXRAUJLLAFCQIZ-QWQRMKEZSA-N 1 3 353.457 2.804 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001216510917 1042044778 /nfs/dbraw/zinc/04/47/78/1042044778.db2.gz DKLQKVSXWYGKNW-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC001263109562 1042108857 /nfs/dbraw/zinc/10/88/57/1042108857.db2.gz APWNISOJWSXSHK-YHYXMXQVSA-N 1 3 351.450 2.882 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(C)(C)N3CCCC3)C2)sn1 ZINC001263914051 1042528365 /nfs/dbraw/zinc/52/83/65/1042528365.db2.gz NJLVRBYRQUQKSM-JKSUJKDBSA-N 1 3 364.559 2.700 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)[C@@H]1C)N(C)C ZINC001264717854 1042799340 /nfs/dbraw/zinc/79/93/40/1042799340.db2.gz NJFMTEVGZPUSDA-HYVNUMGLSA-N 1 3 359.505 2.977 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)[C@@H]1C)N(C)C ZINC001264717854 1042799342 /nfs/dbraw/zinc/79/93/42/1042799342.db2.gz NJFMTEVGZPUSDA-HYVNUMGLSA-N 1 3 359.505 2.977 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cc4cccnc4[nH]3)C2)C1 ZINC001279137692 1042914769 /nfs/dbraw/zinc/91/47/69/1042914769.db2.gz NUILLTYUFXRZRZ-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cc4cccnc4[nH]3)C2)C1 ZINC001279137692 1042914771 /nfs/dbraw/zinc/91/47/71/1042914771.db2.gz NUILLTYUFXRZRZ-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO Oc1cccc(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279138901 1042914799 /nfs/dbraw/zinc/91/47/99/1042914799.db2.gz AWUMURPUCTZTKI-UHFFFAOYSA-N 1 3 354.498 2.967 20 0 FFADHO Oc1cccc(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279138901 1042914805 /nfs/dbraw/zinc/91/48/05/1042914805.db2.gz AWUMURPUCTZTKI-UHFFFAOYSA-N 1 3 354.498 2.967 20 0 FFADHO COc1cccc(OC)c1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279222551 1042951097 /nfs/dbraw/zinc/95/10/97/1042951097.db2.gz UTOICPJMCNRBOF-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO COc1cccc(OC)c1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279222551 1042951102 /nfs/dbraw/zinc/95/11/02/1042951102.db2.gz UTOICPJMCNRBOF-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc(F)cc3OC)(C1)CCC2 ZINC001279291286 1042986441 /nfs/dbraw/zinc/98/64/41/1042986441.db2.gz LZBCNKPTBZGQKU-UXHICEINSA-N 1 3 366.477 2.979 20 0 FFADHO COc1nccc(CN2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)n1 ZINC001279302143 1042991595 /nfs/dbraw/zinc/99/15/95/1042991595.db2.gz XXJFROVJOFLUQI-IYBDPMFKSA-N 1 3 373.526 2.594 20 0 FFADHO COc1nccc(CN2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)n1 ZINC001279302143 1042991599 /nfs/dbraw/zinc/99/15/99/1042991599.db2.gz XXJFROVJOFLUQI-IYBDPMFKSA-N 1 3 373.526 2.594 20 0 FFADHO COc1ccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c(OC(C)C)c1 ZINC001279318588 1042998188 /nfs/dbraw/zinc/99/81/88/1042998188.db2.gz JDYAZRHEWPPSTD-FXAWDEMLSA-N 1 3 361.530 2.550 20 0 FFADHO COc1ccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c(OC(C)C)c1 ZINC001279318588 1042998190 /nfs/dbraw/zinc/99/81/90/1042998190.db2.gz JDYAZRHEWPPSTD-FXAWDEMLSA-N 1 3 361.530 2.550 20 0 FFADHO C[NH+](C)CCN1CCC2(CC1)CN(Cc1cnco1)Cc1ccccc12 ZINC001279335042 1043009155 /nfs/dbraw/zinc/00/91/55/1043009155.db2.gz VZURFOFGHAVGIR-UHFFFAOYSA-N 1 3 354.498 2.586 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@H]2CC1 ZINC001279383761 1043040441 /nfs/dbraw/zinc/04/04/41/1043040441.db2.gz ASZFJJTZWCKXIH-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@H]2CC1 ZINC001279383761 1043040445 /nfs/dbraw/zinc/04/04/45/1043040445.db2.gz ASZFJJTZWCKXIH-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CCc1cccc(C)c1CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001237327287 1043111906 /nfs/dbraw/zinc/11/19/06/1043111906.db2.gz PEFJDGNTKJKRDG-DYXWJJEUSA-N 1 3 353.514 2.744 20 0 FFADHO CCc1cccc(C)c1CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001237327287 1043111909 /nfs/dbraw/zinc/11/19/09/1043111909.db2.gz PEFJDGNTKJKRDG-DYXWJJEUSA-N 1 3 353.514 2.744 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cccc(C(F)(F)F)c2C)CCC12C[NH2+]C2 ZINC001237433019 1043160099 /nfs/dbraw/zinc/16/00/99/1043160099.db2.gz ZNILFJYBLATMHK-MRXNPFEDSA-N 1 3 370.415 2.988 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C[C@H]3CCC[N@H+](C)C3)C[C@H](C1)O2 ZINC001279501137 1043195175 /nfs/dbraw/zinc/19/51/75/1043195175.db2.gz CSBYKVBRCBMJMU-XSDIEEQYSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C[C@H]3CCC[N@@H+](C)C3)C[C@H](C1)O2 ZINC001279501137 1043195181 /nfs/dbraw/zinc/19/51/81/1043195181.db2.gz CSBYKVBRCBMJMU-XSDIEEQYSA-N 1 3 351.579 2.930 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cccn1Cc1ccccc1)C2 ZINC001279565191 1043264356 /nfs/dbraw/zinc/26/43/56/1043264356.db2.gz ZAZGGBPAHYKJGM-IRLDBZIGSA-N 1 3 352.526 2.604 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1ccnc(C(F)(F)F)c1)C2 ZINC001279566607 1043266351 /nfs/dbraw/zinc/26/63/51/1043266351.db2.gz LLERCWZORYCDDI-SFHVURJKSA-N 1 3 370.463 2.950 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC[NH+](C)CC1 ZINC001279639234 1043381612 /nfs/dbraw/zinc/38/16/12/1043381612.db2.gz YNRHDTUYIFKJBW-HBMCJLEFSA-N 1 3 357.542 2.916 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cccc4ccoc43)C[C@H]2CC1 ZINC001279657661 1043414536 /nfs/dbraw/zinc/41/45/36/1043414536.db2.gz JWQYMJPDVFLFKI-HDICACEKSA-N 1 3 355.482 2.665 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cccc4ccoc43)C[C@H]2CC1 ZINC001279657661 1043414543 /nfs/dbraw/zinc/41/45/43/1043414543.db2.gz JWQYMJPDVFLFKI-HDICACEKSA-N 1 3 355.482 2.665 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1ccc(C(C)(C)C)[nH]1)CC2 ZINC001279662153 1043422033 /nfs/dbraw/zinc/42/20/33/1043422033.db2.gz HBIXCWHOCGRGLZ-UHFFFAOYSA-N 1 3 360.546 2.688 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1ccc(C(C)(C)C)[nH]1)CC2 ZINC001279662153 1043422041 /nfs/dbraw/zinc/42/20/41/1043422041.db2.gz HBIXCWHOCGRGLZ-UHFFFAOYSA-N 1 3 360.546 2.688 20 0 FFADHO Cc1cc(Br)sc1CN1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001279667075 1043434153 /nfs/dbraw/zinc/43/41/53/1043434153.db2.gz ONBLTBIZGXWDLT-UONOGXRCSA-N 1 3 372.376 2.887 20 0 FFADHO Cc1cc(Br)sc1CN1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001279667075 1043434163 /nfs/dbraw/zinc/43/41/63/1043434163.db2.gz ONBLTBIZGXWDLT-UONOGXRCSA-N 1 3 372.376 2.887 20 0 FFADHO Cc1n[nH]c(C)c1CN1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279674872 1043446689 /nfs/dbraw/zinc/44/66/89/1043446689.db2.gz PGFIODFKFUVKKY-UHFFFAOYSA-N 1 3 356.518 2.601 20 0 FFADHO Cc1n[nH]c(C)c1CN1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279674872 1043446696 /nfs/dbraw/zinc/44/66/96/1043446696.db2.gz PGFIODFKFUVKKY-UHFFFAOYSA-N 1 3 356.518 2.601 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccc4nsnc4c3)CC2)C1 ZINC001279691820 1043477143 /nfs/dbraw/zinc/47/71/43/1043477143.db2.gz QZZZPVCVGGXWEW-UHFFFAOYSA-N 1 3 373.570 2.931 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccc4nsnc4c3)CC2)C1 ZINC001279691820 1043477151 /nfs/dbraw/zinc/47/71/51/1043477151.db2.gz QZZZPVCVGGXWEW-UHFFFAOYSA-N 1 3 373.570 2.931 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(Cc2ccccc2C2CC2)C3)CC1 ZINC001279822735 1043708651 /nfs/dbraw/zinc/70/86/51/1043708651.db2.gz KBXMEKYYYLNDCG-FQEVSTJZSA-N 1 3 353.510 2.596 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@H]2CC23CCN(CCC(F)(F)F)CC3)CC1 ZINC001279888819 1043854783 /nfs/dbraw/zinc/85/47/83/1043854783.db2.gz HWFXCAGBNZRGHM-OAHLLOKOSA-N 1 3 361.452 2.594 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001279888725 1043855706 /nfs/dbraw/zinc/85/57/06/1043855706.db2.gz DJQXWXWJODMMGV-HNNXBMFYSA-N 1 3 363.468 2.841 20 0 FFADHO Cn1c(=O)cccc1CN1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279905330 1043900176 /nfs/dbraw/zinc/90/01/76/1043900176.db2.gz RCIUEDHAICINDJ-UHFFFAOYSA-N 1 3 354.498 2.592 20 0 FFADHO Cn1c(=O)cccc1CN1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279905330 1043900188 /nfs/dbraw/zinc/90/01/88/1043900188.db2.gz RCIUEDHAICINDJ-UHFFFAOYSA-N 1 3 354.498 2.592 20 0 FFADHO NCCC[NH2+]CCCNC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001239253330 1044086642 /nfs/dbraw/zinc/08/66/42/1044086642.db2.gz YDRCBOSXXWTFTN-UHFFFAOYSA-N 1 3 356.470 2.716 20 0 FFADHO C[NH+]1CCC(CCN2CC[C@@H]3C[C@@]32C(=O)NC2CCC(F)CC2)CC1 ZINC001280140893 1044285383 /nfs/dbraw/zinc/28/53/83/1044285383.db2.gz NVJSYIQSRPDDTI-KMEYYKJISA-N 1 3 351.510 2.580 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CC[N@H+](CC)C2)C[C@H]1C ZINC001313893463 1044439575 /nfs/dbraw/zinc/43/95/75/1044439575.db2.gz OJVDZQCYXXDVOF-KURKYZTESA-N 1 3 374.577 2.806 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CC[N@@H+](CC)C2)C[C@H]1C ZINC001313893463 1044439583 /nfs/dbraw/zinc/43/95/83/1044439583.db2.gz OJVDZQCYXXDVOF-KURKYZTESA-N 1 3 374.577 2.806 20 0 FFADHO CC[N@@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001313896761 1044441590 /nfs/dbraw/zinc/44/15/90/1044441590.db2.gz ZIQXXDSOTVVTFP-GOSISDBHSA-N 1 3 374.577 2.665 20 0 FFADHO CC[N@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001313896761 1044441598 /nfs/dbraw/zinc/44/15/98/1044441598.db2.gz ZIQXXDSOTVVTFP-GOSISDBHSA-N 1 3 374.577 2.665 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@H]3C(=O)Nc3cn[nH]c3)CC2)CCCC1 ZINC001280237585 1044448901 /nfs/dbraw/zinc/44/89/01/1044448901.db2.gz PPXADXSXPRIFTJ-KRWDZBQOSA-N 1 3 359.518 2.572 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC001318703491 1044821627 /nfs/dbraw/zinc/82/16/27/1044821627.db2.gz YQOHHDCBEGJYLQ-WOJBJXKFSA-N 1 3 358.530 2.607 20 0 FFADHO CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316725472 1044845810 /nfs/dbraw/zinc/84/58/10/1044845810.db2.gz APAJTUWIDHGJBS-PMACEKPBSA-N 1 3 361.530 2.721 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001316797859 1045015575 /nfs/dbraw/zinc/01/55/75/1045015575.db2.gz RRLVRIJBGHSTHV-JRGCBEDISA-N 1 3 359.558 2.957 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001316797859 1045015580 /nfs/dbraw/zinc/01/55/80/1045015580.db2.gz RRLVRIJBGHSTHV-JRGCBEDISA-N 1 3 359.558 2.957 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC001317445695 1045089779 /nfs/dbraw/zinc/08/97/79/1045089779.db2.gz FMZIGADRZLAPRB-RBUKOAKNSA-N 1 3 354.498 2.513 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC001317445695 1045089793 /nfs/dbraw/zinc/08/97/93/1045089793.db2.gz FMZIGADRZLAPRB-RBUKOAKNSA-N 1 3 354.498 2.513 20 0 FFADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC001319282564 1045096742 /nfs/dbraw/zinc/09/67/42/1045096742.db2.gz MZMKRBWURJQVQK-HZPDHXFCSA-N 1 3 353.532 2.831 20 0 FFADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC001319282564 1045096754 /nfs/dbraw/zinc/09/67/54/1045096754.db2.gz MZMKRBWURJQVQK-HZPDHXFCSA-N 1 3 353.532 2.831 20 0 FFADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC001319282564 1045096755 /nfs/dbraw/zinc/09/67/55/1045096755.db2.gz MZMKRBWURJQVQK-HZPDHXFCSA-N 1 3 353.532 2.831 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)Cc1ccco1 ZINC001323275736 1045527884 /nfs/dbraw/zinc/52/78/84/1045527884.db2.gz CGEFCNVDDJZHMT-ROUUACIJSA-N 1 3 350.507 2.616 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001321843968 1045832204 /nfs/dbraw/zinc/83/22/04/1045832204.db2.gz HKHGGJQNOWNWEC-UXHICEINSA-N 1 3 360.546 2.941 20 0 FFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC001321849529 1045838382 /nfs/dbraw/zinc/83/83/82/1045838382.db2.gz LJHZAAWJRJUZSG-XIRDDKMYSA-N 1 3 369.431 2.898 20 0 FFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC001321849529 1045838407 /nfs/dbraw/zinc/83/84/07/1045838407.db2.gz LJHZAAWJRJUZSG-XIRDDKMYSA-N 1 3 369.431 2.898 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322741149 1046206593 /nfs/dbraw/zinc/20/65/93/1046206593.db2.gz TYEYVTCIIXOUAI-RTBURBONSA-N 1 3 364.509 2.772 20 0 FFADHO CN1CCN(Cc2cccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)c2)CC1 ZINC001326039632 1046738963 /nfs/dbraw/zinc/73/89/63/1046738963.db2.gz SINJFHHCNCVZGZ-YADHBBJMSA-N 1 3 350.510 2.668 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CC3CCC(O)CC3)C2)ccn1 ZINC001331303672 1047851739 /nfs/dbraw/zinc/85/17/39/1047851739.db2.gz YAVVZHVVCBDHDY-XTXLOEGASA-N 1 3 361.530 2.926 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CC3CCC(O)CC3)C2)ccn1 ZINC001331303672 1047851753 /nfs/dbraw/zinc/85/17/53/1047851753.db2.gz YAVVZHVVCBDHDY-XTXLOEGASA-N 1 3 361.530 2.926 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC3(N4CCSCC4)CCCC3)C[N@@H+]2C1 ZINC001540956929 1071037033 /nfs/dbraw/zinc/03/70/33/1071037033.db2.gz WADWPDXZQSKXIM-KZNAEPCWSA-N 1 3 365.587 2.585 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC3(N4CCSCC4)CCCC3)C[N@H+]2C1 ZINC001540956929 1071037041 /nfs/dbraw/zinc/03/70/41/1071037041.db2.gz WADWPDXZQSKXIM-KZNAEPCWSA-N 1 3 365.587 2.585 20 0 FFADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1)c1ccccc1 ZINC001333666819 1049040967 /nfs/dbraw/zinc/04/09/67/1049040967.db2.gz QMZNPABGUJXWNX-IYWMVGAKSA-N 1 3 358.530 2.661 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001295977496 1050007795 /nfs/dbraw/zinc/00/77/95/1050007795.db2.gz HYZHEWQQPYMAQJ-SJORKVTESA-N 1 3 362.566 2.770 20 0 FFADHO CC[C@H](C)C[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001340222360 1050630649 /nfs/dbraw/zinc/63/06/49/1050630649.db2.gz KBHGUPSQKWBOFN-YQVWRLOYSA-N 1 3 361.530 2.766 20 0 FFADHO C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001340927007 1051256264 /nfs/dbraw/zinc/25/62/64/1051256264.db2.gz BPIHQNVTWUUOIE-GDBMZVCRSA-N 1 3 371.447 2.984 20 0 FFADHO [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1)C1CCCC1 ZINC001340955188 1051286832 /nfs/dbraw/zinc/28/68/32/1051286832.db2.gz YJFMZHYAXMAFET-OXJNMPFZSA-N 1 3 371.525 2.928 20 0 FFADHO CC(C)([NH3+])c1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC001343144766 1051767307 /nfs/dbraw/zinc/76/73/07/1051767307.db2.gz YZKFDXSFSQJHGY-KBPBESRZSA-N 1 3 360.376 2.803 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001343438442 1052233410 /nfs/dbraw/zinc/23/34/10/1052233410.db2.gz FUSMFPOAJCPFPF-KRWDZBQOSA-N 1 3 355.507 2.740 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001343438442 1052233416 /nfs/dbraw/zinc/23/34/16/1052233416.db2.gz FUSMFPOAJCPFPF-KRWDZBQOSA-N 1 3 355.507 2.740 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)cc(Cl)n1 ZINC001345189758 1052310477 /nfs/dbraw/zinc/31/04/77/1052310477.db2.gz AENFCFYCRCDDGY-WMLDXEAASA-N 1 3 372.900 2.988 20 0 FFADHO COC(=O)CCC[NH+]1CCC(N[C@H](C)c2cc(F)ccc2N(C)C)CC1 ZINC001308988113 1052533127 /nfs/dbraw/zinc/53/31/27/1052533127.db2.gz PZCWAPFRYBNIHG-OAHLLOKOSA-N 1 3 365.493 2.960 20 0 FFADHO CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)cc1OC ZINC001335380371 1053328264 /nfs/dbraw/zinc/32/82/64/1053328264.db2.gz FNCXUVUDMHWNJM-RLFYNMQTSA-N 1 3 372.469 2.746 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1c(F)cccc1F ZINC001335948859 1053663425 /nfs/dbraw/zinc/66/34/25/1053663425.db2.gz BGVQVDCUSHTDDC-IBGZPJMESA-N 1 3 361.436 2.895 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC001336014902 1053705871 /nfs/dbraw/zinc/70/58/71/1053705871.db2.gz AEJJAEIIIUKQLS-GDBMZVCRSA-N 1 3 371.319 2.510 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCN3C3CCCC3)cc2)CC1 ZINC001543803938 1071548516 /nfs/dbraw/zinc/54/85/16/1071548516.db2.gz XPZUKTHVYNFBFS-OAQYLSRUSA-N 1 3 370.541 2.780 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC001356610445 1055613823 /nfs/dbraw/zinc/61/38/23/1055613823.db2.gz PSYAAQCLUGOKOA-WMZOPIPTSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC001356610445 1055613832 /nfs/dbraw/zinc/61/38/32/1055613832.db2.gz PSYAAQCLUGOKOA-WMZOPIPTSA-N 1 3 354.922 2.928 20 0 FFADHO O[C@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1cc(Cl)ccc1Cl ZINC001338553133 1055618950 /nfs/dbraw/zinc/61/89/50/1055618950.db2.gz VKHIISLLKDPJOP-QLFBSQMISA-N 1 3 359.297 2.950 20 0 FFADHO C[C@H]1CCN(C(=O)NC2CC3(CC([NH3+])C3)C2)CCN1Cc1ccccc1 ZINC001357764554 1056005145 /nfs/dbraw/zinc/00/51/45/1056005145.db2.gz OSKMRNFDEVFJAN-GICSWVMSSA-N 1 3 356.514 2.562 20 0 FFADHO [NH3+][C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CCCCCC1 ZINC001357842892 1056034522 /nfs/dbraw/zinc/03/45/22/1056034522.db2.gz HNIUFRVPVXTMFP-HXUWFJFHSA-N 1 3 358.530 2.708 20 0 FFADHO C[C@@H](CNC(=O)[C@H](N)Cc1ccc2cc[nH]c2c1)[N@H+](C)Cc1ccccc1 ZINC001353547840 1056522022 /nfs/dbraw/zinc/52/20/22/1056522022.db2.gz CBMJNORUICINKR-OXJNMPFZSA-N 1 3 364.493 2.674 20 0 FFADHO C[C@@H](CNC(=O)[C@H](N)Cc1ccc2cc[nH]c2c1)[N@@H+](C)Cc1ccccc1 ZINC001353547840 1056522041 /nfs/dbraw/zinc/52/20/41/1056522041.db2.gz CBMJNORUICINKR-OXJNMPFZSA-N 1 3 364.493 2.674 20 0 FFADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1C(=S)NCCN1CCCCC1 ZINC001200429381 1056670048 /nfs/dbraw/zinc/67/00/48/1056670048.db2.gz HSEBRFNYFJVOTK-ROUUACIJSA-N 1 3 352.592 2.686 20 0 FFADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1C(=S)NCCN1CCCCC1 ZINC001200429381 1056670052 /nfs/dbraw/zinc/67/00/52/1056670052.db2.gz HSEBRFNYFJVOTK-ROUUACIJSA-N 1 3 352.592 2.686 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@@H]3CCCN3CC(C)C)CCCC2)CC1 ZINC001444213960 1058281519 /nfs/dbraw/zinc/28/15/19/1058281519.db2.gz YALJLIMNPHJXSY-IBGZPJMESA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(Cc3ccco3)C3CCN(C)CC3)C[N@@H+]2C1 ZINC001519436114 1058749082 /nfs/dbraw/zinc/74/90/82/1058749082.db2.gz KAVDUCWZFLKKNF-ZHALLVOQSA-N 1 3 359.514 2.823 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(Cc3ccco3)C3CCN(C)CC3)C[N@H+]2C1 ZINC001519436114 1058749103 /nfs/dbraw/zinc/74/91/03/1058749103.db2.gz KAVDUCWZFLKKNF-ZHALLVOQSA-N 1 3 359.514 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001515849996 1059840603 /nfs/dbraw/zinc/84/06/03/1059840603.db2.gz KYQQLAASWSNXHG-QGZVFWFLSA-N 1 3 362.566 2.806 20 0 FFADHO CC[N@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001515849996 1059840627 /nfs/dbraw/zinc/84/06/27/1059840627.db2.gz KYQQLAASWSNXHG-QGZVFWFLSA-N 1 3 362.566 2.806 20 0 FFADHO [NH3+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC001355352123 1060159002 /nfs/dbraw/zinc/15/90/02/1060159002.db2.gz UAWXJJKLHLBAQR-PMACEKPBSA-N 1 3 370.541 2.804 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001547634864 1071979224 /nfs/dbraw/zinc/97/92/24/1071979224.db2.gz AOMGUQSRHSBSLJ-UWVAXJGDSA-N 1 3 370.545 2.808 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)C1 ZINC001521454711 1060598181 /nfs/dbraw/zinc/59/81/81/1060598181.db2.gz MNGPTZMMXBVCHC-GOEBONIOSA-N 1 3 369.431 2.870 20 0 FFADHO CC(C)[C@H](CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001477288433 1061653574 /nfs/dbraw/zinc/65/35/74/1061653574.db2.gz RSMTVLXEIZKOQH-QUCCMNQESA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C2CCCC2)C1 ZINC001478956387 1062162451 /nfs/dbraw/zinc/16/24/51/1062162451.db2.gz AOWAYAWYHBNEGV-HKUYNNGSSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C2CCCC2)C1 ZINC001478956387 1062162458 /nfs/dbraw/zinc/16/24/58/1062162458.db2.gz AOWAYAWYHBNEGV-HKUYNNGSSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC001479055752 1062206154 /nfs/dbraw/zinc/20/61/54/1062206154.db2.gz FSKQLJSKDNLLAR-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@@H]2C1 ZINC001479135358 1062243116 /nfs/dbraw/zinc/24/31/16/1062243116.db2.gz BVEYCPRNCGEXMO-BQJUDKOJSA-N 1 3 370.541 2.681 20 0 FFADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@@H]2C1 ZINC001479135358 1062243134 /nfs/dbraw/zinc/24/31/34/1062243134.db2.gz BVEYCPRNCGEXMO-BQJUDKOJSA-N 1 3 370.541 2.681 20 0 FFADHO CCC(CC)[C@H](Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@H]1C)[NH+](C)C ZINC001545805790 1062316720 /nfs/dbraw/zinc/31/67/20/1062316720.db2.gz SEDSWVCGKJXWFP-FCEWJHQRSA-N 1 3 364.582 2.872 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001479478231 1062455687 /nfs/dbraw/zinc/45/56/87/1062455687.db2.gz ZIZKRFFIXKEYGX-WMLDXEAASA-N 1 3 352.910 2.584 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001479478231 1062455702 /nfs/dbraw/zinc/45/57/02/1062455702.db2.gz ZIZKRFFIXKEYGX-WMLDXEAASA-N 1 3 352.910 2.584 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001479494571 1062483491 /nfs/dbraw/zinc/48/34/91/1062483491.db2.gz IFLYUXCCTLPHHG-GOEBONIOSA-N 1 3 353.457 2.680 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001469659302 1064186998 /nfs/dbraw/zinc/18/69/98/1064186998.db2.gz SQSRDJZWNONOOA-XFXZXTDPSA-N 1 3 373.541 2.973 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001470701632 1064416026 /nfs/dbraw/zinc/41/60/26/1064416026.db2.gz MAYQHQNTRNQCOJ-OAQYLSRUSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001470701632 1064416031 /nfs/dbraw/zinc/41/60/31/1064416031.db2.gz MAYQHQNTRNQCOJ-OAQYLSRUSA-N 1 3 360.546 2.928 20 0 FFADHO CN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC001471105456 1064560925 /nfs/dbraw/zinc/56/09/25/1064560925.db2.gz OEBXLCQHLGGLQJ-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001471105456 1064560935 /nfs/dbraw/zinc/56/09/35/1064560935.db2.gz OEBXLCQHLGGLQJ-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCN(C)C1 ZINC001471105456 1064560947 /nfs/dbraw/zinc/56/09/47/1064560947.db2.gz OEBXLCQHLGGLQJ-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCCN(C)C1 ZINC001471105456 1064560954 /nfs/dbraw/zinc/56/09/54/1064560954.db2.gz OEBXLCQHLGGLQJ-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)(C)CCN1CCN(c2nnc(CC3CC3)n2CCCC[NH3+])CC1 ZINC001575131777 1078110049 /nfs/dbraw/zinc/11/00/49/1078110049.db2.gz DDLSVIXETOXEIZ-UHFFFAOYSA-N 1 3 362.566 2.528 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H](NC[C@H]([NH3+])CC(F)(F)F)C1CCCC1 ZINC001575216960 1078118346 /nfs/dbraw/zinc/11/83/46/1078118346.db2.gz VUTYLFJRINBCDG-OLZOCXBDSA-N 1 3 353.429 2.939 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)N(C)C)cc1 ZINC001575807160 1078169305 /nfs/dbraw/zinc/16/93/05/1078169305.db2.gz LVRXWWJDHYXCPU-LJQANCHMSA-N 1 3 359.514 2.867 20 0 FFADHO C[C@](CO)(Cc1ccc(Br)cc1)NC[C@H]1CCCC[NH2+]C1 ZINC001576037496 1078189166 /nfs/dbraw/zinc/18/91/66/1078189166.db2.gz QLTLKABPKXLWBP-DOTOQJQBSA-N 1 3 355.320 2.722 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 ZINC001576117146 1078197096 /nfs/dbraw/zinc/19/70/96/1078197096.db2.gz ICGKYQONHPKFNH-JKSUJKDBSA-N 1 3 355.523 2.510 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cnc2ccccn12 ZINC001474084314 1065453728 /nfs/dbraw/zinc/45/37/28/1065453728.db2.gz HUUQFOGVXPNVPG-IBGZPJMESA-N 1 3 350.466 2.581 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cnc2ccccn12 ZINC001474084314 1065453733 /nfs/dbraw/zinc/45/37/33/1065453733.db2.gz HUUQFOGVXPNVPG-IBGZPJMESA-N 1 3 350.466 2.581 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC001576771757 1078273766 /nfs/dbraw/zinc/27/37/66/1078273766.db2.gz HCONASHOKXLHBZ-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC001576771757 1078273767 /nfs/dbraw/zinc/27/37/67/1078273767.db2.gz HCONASHOKXLHBZ-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)N1CCc2ccccc2C1 ZINC001577082686 1078302009 /nfs/dbraw/zinc/30/20/09/1078302009.db2.gz AVMBLNGMROGAGB-TUNNFDKTSA-N 1 3 370.541 2.655 20 0 FFADHO CCC([NH3+])(CC)Cn1c(CC(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577115497 1078305920 /nfs/dbraw/zinc/30/59/20/1078305920.db2.gz PHFFUYZJMZYDLP-UHFFFAOYSA-N 1 3 364.582 2.915 20 0 FFADHO CCCCCn1c(C2CC[NH2+]CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001577438320 1078359175 /nfs/dbraw/zinc/35/91/75/1078359175.db2.gz HEMKWGLFKOVARA-UHFFFAOYSA-N 1 3 362.566 2.713 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N(C)CCC[NH2+]C)c1ccc(Cl)cc1 ZINC001577495485 1078368168 /nfs/dbraw/zinc/36/81/68/1078368168.db2.gz MIVSNHYHJYBPFT-QGZVFWFLSA-N 1 3 354.926 2.974 20 0 FFADHO CN(C)[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H]([NH3+])C1)c1cccs1 ZINC001578408059 1078470460 /nfs/dbraw/zinc/47/04/60/1078470460.db2.gz GJGKDDQYZLVXDX-HZPDHXFCSA-N 1 3 374.558 2.523 20 0 FFADHO CN(C)[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H]([NH3+])C1)c1cccs1 ZINC001578408058 1078470646 /nfs/dbraw/zinc/47/06/46/1078470646.db2.gz GJGKDDQYZLVXDX-CVEARBPZSA-N 1 3 374.558 2.523 20 0 FFADHO CN(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC([NH3+])CC1)c1cccs1 ZINC001578409064 1078470658 /nfs/dbraw/zinc/47/06/58/1078470658.db2.gz TVPKXZZRMAAARC-INIZCTEOSA-N 1 3 374.558 2.838 20 0 FFADHO CN(CCCN(C)C(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1)Cc1ccco1 ZINC001578466081 1078477158 /nfs/dbraw/zinc/47/71/58/1078477158.db2.gz DQERNWWASNGSLD-XGAFWQRZSA-N 1 3 355.482 2.619 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCc2ccccc2C[NH3+])CC1 ZINC001578537236 1078489736 /nfs/dbraw/zinc/48/97/36/1078489736.db2.gz RGWXHZJEFAWLCZ-UHFFFAOYSA-N 1 3 358.917 2.840 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CNC[C@@H](c2ccccc2)C(F)(F)F)cnn1C ZINC001579530970 1078639872 /nfs/dbraw/zinc/63/98/72/1078639872.db2.gz ZWRAHRHBYPNIBT-PBHICJAKSA-N 1 3 354.420 2.782 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC001580184388 1078762097 /nfs/dbraw/zinc/76/20/97/1078762097.db2.gz XFBPMVJGDPLNGR-UXHICEINSA-N 1 3 359.514 2.880 20 0 FFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC001580185265 1078762292 /nfs/dbraw/zinc/76/22/92/1078762292.db2.gz VHILQDCPBHNOQV-GHTZIAJQSA-N 1 3 352.482 2.862 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC001580613640 1078837552 /nfs/dbraw/zinc/83/75/52/1078837552.db2.gz HBCYRNICLLGYOW-LJQANCHMSA-N 1 3 356.514 2.579 20 0 FFADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001549794258 1074023335 /nfs/dbraw/zinc/02/33/35/1074023335.db2.gz VLQFVPDSWAXSDH-XUVXKRRUSA-N 1 3 350.466 2.897 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549921813 1074080349 /nfs/dbraw/zinc/08/03/49/1074080349.db2.gz MSTVAYXBOQSFJC-MXWWQKGMSA-N 1 3 359.495 2.504 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC001550421964 1074259428 /nfs/dbraw/zinc/25/94/28/1074259428.db2.gz JRTQQLZPKNVORQ-XSLAGTTESA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC001550421964 1074259434 /nfs/dbraw/zinc/25/94/34/1074259434.db2.gz JRTQQLZPKNVORQ-XSLAGTTESA-N 1 3 372.431 2.980 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc4ccccc4[nH]c3=O)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422815 1074261104 /nfs/dbraw/zinc/26/11/04/1074261104.db2.gz DGNRBRULXIMQPR-AQCRLBJHSA-N 1 3 369.509 2.900 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc4ccccc4[nH]c3=O)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422815 1074261107 /nfs/dbraw/zinc/26/11/07/1074261107.db2.gz DGNRBRULXIMQPR-AQCRLBJHSA-N 1 3 369.509 2.900 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552149818 1075003066 /nfs/dbraw/zinc/00/30/66/1075003066.db2.gz IPWLVKVNOXZZQG-SFTDATJTSA-N 1 3 355.526 2.665 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3C[C@@H]3C3CC[NH2+]CC3)c2)CC1 ZINC001552156642 1075005545 /nfs/dbraw/zinc/00/55/45/1075005545.db2.gz DZSJANOWQRWTJO-RTWAWAEBSA-N 1 3 370.541 2.791 20 0 FFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001552963557 1075179560 /nfs/dbraw/zinc/17/95/60/1075179560.db2.gz AUSIGYBDOOSPEI-WAOWUJCRSA-N 1 3 369.513 2.976 20 0 FFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001552963557 1075179562 /nfs/dbraw/zinc/17/95/62/1075179562.db2.gz AUSIGYBDOOSPEI-WAOWUJCRSA-N 1 3 369.513 2.976 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NC2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001553313783 1075280950 /nfs/dbraw/zinc/28/09/50/1075280950.db2.gz KJZVOMJKXRYBHS-UHFFFAOYSA-N 1 3 360.502 2.561 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC001553555061 1075330002 /nfs/dbraw/zinc/33/00/02/1075330002.db2.gz KQUSSYDDSFFZMZ-INIZCTEOSA-N 1 3 364.559 2.731 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](Cc3ccccc3)C3CC3)CC2)CC1 ZINC001553561627 1075331990 /nfs/dbraw/zinc/33/19/90/1075331990.db2.gz OKOXFPLGNKAZDY-QFIPXVFZSA-N 1 3 369.553 2.930 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001558253829 1075967505 /nfs/dbraw/zinc/96/75/05/1075967505.db2.gz XFWRPKJRTSEAAI-FQEVSTJZSA-N 1 3 373.541 2.658 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001558253829 1075967508 /nfs/dbraw/zinc/96/75/08/1075967508.db2.gz XFWRPKJRTSEAAI-FQEVSTJZSA-N 1 3 373.541 2.658 20 0 FFADHO CN(CCNC(=O)C1CC[NH+](C[Si](C)(C)C)CC1)Cc1ccccc1 ZINC001559573061 1076174138 /nfs/dbraw/zinc/17/41/38/1076174138.db2.gz UILNYCYXUMNJGT-UHFFFAOYSA-N 1 3 361.606 2.824 20 0 FFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC001560395691 1076269836 /nfs/dbraw/zinc/26/98/36/1076269836.db2.gz XYJBYARLJDNUKK-PMACEKPBSA-N 1 3 370.497 2.553 20 0 FFADHO C[C@@H](CO)C1CCN(Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001560920985 1076309776 /nfs/dbraw/zinc/30/97/76/1076309776.db2.gz XMOUHGCFRWARBP-ZDUSSCGKSA-N 1 3 370.440 2.910 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)Cc1ccccc1 ZINC001563634096 1076571851 /nfs/dbraw/zinc/57/18/51/1076571851.db2.gz MURRNUYSAWUFPH-SFHVURJKSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001564520336 1076640274 /nfs/dbraw/zinc/64/02/74/1076640274.db2.gz GKZFTPBCYVNIQV-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC001564816621 1076662017 /nfs/dbraw/zinc/66/20/17/1076662017.db2.gz VYGZIRHCOJACDW-FUHWJXTLSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC001564816621 1076662022 /nfs/dbraw/zinc/66/20/22/1076662022.db2.gz VYGZIRHCOJACDW-FUHWJXTLSA-N 1 3 364.559 2.795 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001565061982 1076681659 /nfs/dbraw/zinc/68/16/59/1076681659.db2.gz FXUNRRAWASGBJF-QGZVFWFLSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCCN3Cc3ccccc3)C[N@@H+]2C1 ZINC001565792897 1076767207 /nfs/dbraw/zinc/76/72/07/1076767207.db2.gz PXRLEDKGMVEUGH-BVOGOJNSSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCCN3Cc3ccccc3)C[N@H+]2C1 ZINC001565792897 1076767209 /nfs/dbraw/zinc/76/72/09/1076767209.db2.gz PXRLEDKGMVEUGH-BVOGOJNSSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001585956717 1079517769 /nfs/dbraw/zinc/51/77/69/1079517769.db2.gz AOAIHSVBJVBARY-SFHVURJKSA-N 1 3 367.603 2.975 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001585956717 1079517772 /nfs/dbraw/zinc/51/77/72/1079517772.db2.gz AOAIHSVBJVBARY-SFHVURJKSA-N 1 3 367.603 2.975 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001585956717 1079517774 /nfs/dbraw/zinc/51/77/74/1079517774.db2.gz AOAIHSVBJVBARY-SFHVURJKSA-N 1 3 367.603 2.975 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105264328 250204745 /nfs/dbraw/zinc/20/47/45/250204745.db2.gz FGTVPWMRVCPJIH-XLIONFOSSA-N 1 3 373.545 2.560 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000105264328 250204748 /nfs/dbraw/zinc/20/47/48/250204748.db2.gz FGTVPWMRVCPJIH-XLIONFOSSA-N 1 3 373.545 2.560 20 0 FFADHO CC[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000117487588 250349198 /nfs/dbraw/zinc/34/91/98/250349198.db2.gz GMHOOOUWISJDKZ-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO CS[C@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000117487628 250349246 /nfs/dbraw/zinc/34/92/46/250349246.db2.gz NALHJAFJSICVNP-WMZOPIPTSA-N 1 3 368.591 2.518 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1cccs1 ZINC000251662446 251299544 /nfs/dbraw/zinc/29/95/44/251299544.db2.gz KVOFBGCGRNHVGV-JZXOWHBKSA-N 1 3 364.559 2.724 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000251662462 251300287 /nfs/dbraw/zinc/30/02/87/251300287.db2.gz KVOFBGCGRNHVGV-XYJFISCASA-N 1 3 364.559 2.724 20 0 FFADHO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000268737551 251370682 /nfs/dbraw/zinc/37/06/82/251370682.db2.gz ORCFXKBMUQGDOV-FXAWDEMLSA-N 1 3 350.503 2.863 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1=CCN(C)CC1 ZINC000272703100 252108363 /nfs/dbraw/zinc/10/83/63/252108363.db2.gz GBGDAAYVCJOFMC-LVCYWYKZSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1=CCN(C)CC1 ZINC000272703100 252108366 /nfs/dbraw/zinc/10/83/66/252108366.db2.gz GBGDAAYVCJOFMC-LVCYWYKZSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272774123 252127246 /nfs/dbraw/zinc/12/72/46/252127246.db2.gz QNKWQNWBILHTJH-WFXMLNOXSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272774123 252127251 /nfs/dbraw/zinc/12/72/51/252127251.db2.gz QNKWQNWBILHTJH-WFXMLNOXSA-N 1 3 370.541 2.847 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000273157897 252234087 /nfs/dbraw/zinc/23/40/87/252234087.db2.gz BDFWIXREZOULMM-KRWDZBQOSA-N 1 3 360.546 2.714 20 0 FFADHO CC1(C)CN(Cc2cccc(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000275412768 256002231 /nfs/dbraw/zinc/00/22/31/256002231.db2.gz GHUHGFBXKPPTDP-WOJBJXKFSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)CN(Cc2cccc(C[N@H+]3CC[C@@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000275412768 256002232 /nfs/dbraw/zinc/00/22/32/256002232.db2.gz GHUHGFBXKPPTDP-WOJBJXKFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000278350405 256302976 /nfs/dbraw/zinc/30/29/76/256302976.db2.gz ATJVGQDGZGQQBW-IRXDYDNUSA-N 1 3 361.486 2.795 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000278350405 256302978 /nfs/dbraw/zinc/30/29/78/256302978.db2.gz ATJVGQDGZGQQBW-IRXDYDNUSA-N 1 3 361.486 2.795 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287804418 257114904 /nfs/dbraw/zinc/11/49/04/257114904.db2.gz JDCPASTUPIDKNO-FFZOFVMBSA-N 1 3 361.530 2.587 20 0 FFADHO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000287876664 257125086 /nfs/dbraw/zinc/12/50/86/257125086.db2.gz GGWFYCNWFBUTHT-PANBIXPWSA-N 1 3 358.530 2.992 20 0 FFADHO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000287876664 257125088 /nfs/dbraw/zinc/12/50/88/257125088.db2.gz GGWFYCNWFBUTHT-PANBIXPWSA-N 1 3 358.530 2.992 20 0 FFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000287307817 257082645 /nfs/dbraw/zinc/08/26/45/257082645.db2.gz NXLARMBFKLPMOK-GHTZIAJQSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287689980 257102519 /nfs/dbraw/zinc/10/25/19/257102519.db2.gz NDSFXIJMXTXIAG-DOTOQJQBSA-N 1 3 360.420 2.869 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CCN1Cc1ccccc1 ZINC000288213191 257161386 /nfs/dbraw/zinc/16/13/86/257161386.db2.gz SGVCETRTFKKDBG-BWPNAZKDSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CCN1Cc1ccccc1 ZINC000288213191 257161388 /nfs/dbraw/zinc/16/13/88/257161388.db2.gz SGVCETRTFKKDBG-BWPNAZKDSA-N 1 3 358.530 2.631 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000288678090 257217396 /nfs/dbraw/zinc/21/73/96/257217396.db2.gz WYDVZVGQFFPBDX-HOCLYGCPSA-N 1 3 361.408 2.612 20 0 FFADHO Cc1ccc(F)cc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000289856356 257303340 /nfs/dbraw/zinc/30/33/40/257303340.db2.gz QINNEUKBKJVXDW-UHFFFAOYSA-N 1 3 361.505 2.948 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000290264782 257322908 /nfs/dbraw/zinc/32/29/08/257322908.db2.gz XWCYUNSBFREDOH-SFTDATJTSA-N 1 3 373.541 2.562 20 0 FFADHO C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000290300831 257324718 /nfs/dbraw/zinc/32/47/18/257324718.db2.gz NNGQEMJAXMFMDL-DLVCFXQMSA-N 1 3 356.466 2.772 20 0 FFADHO CC(C)O[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000292284721 257479005 /nfs/dbraw/zinc/47/90/05/257479005.db2.gz OURULTVXFWTUNZ-OAQYLSRUSA-N 1 3 373.541 2.828 20 0 FFADHO O=C(NC1CC[NH+](C2CCC2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000296436770 257706565 /nfs/dbraw/zinc/70/65/65/257706565.db2.gz UJBRJALYUDLXOD-FQEVSTJZSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000333119014 258251153 /nfs/dbraw/zinc/25/11/53/258251153.db2.gz AGFQWVUKSOYDQI-MRXNPFEDSA-N 1 3 368.591 2.507 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000373030855 512140661 /nfs/dbraw/zinc/14/06/61/512140661.db2.gz QDSWBEZKUSOFQE-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO C[C@H](NC(=O)N1CCCC12CC[NH+](C)CC2)[C@H](c1ccccc1)N(C)C ZINC000377259720 512190122 /nfs/dbraw/zinc/19/01/22/512190122.db2.gz MSYHJHSJRMMVCT-PKOBYXMFSA-N 1 3 358.530 2.948 20 0 FFADHO CC(=O)N1CCC([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1 ZINC000007974957 506608867 /nfs/dbraw/zinc/60/88/67/506608867.db2.gz VPXRLPXJQQVTMM-IBGZPJMESA-N 1 3 357.498 2.575 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CCCC1 ZINC000043147256 506709669 /nfs/dbraw/zinc/70/96/69/506709669.db2.gz ZFECPYNMYUSXHX-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO COc1cc2c(cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC000067452752 506886634 /nfs/dbraw/zinc/88/66/34/506886634.db2.gz DUQONAQHFHSGFA-ZACQAIPSSA-N 1 3 362.514 2.998 20 0 FFADHO Cc1cccc(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000050799560 507714196 /nfs/dbraw/zinc/71/41/96/507714196.db2.gz FMQKJLFPYSFPFT-UHFFFAOYSA-N 1 3 373.541 2.747 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000071919673 507724650 /nfs/dbraw/zinc/72/46/50/507724650.db2.gz XLLYNAPKZQHNGY-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000071919673 507724654 /nfs/dbraw/zinc/72/46/54/507724654.db2.gz XLLYNAPKZQHNGY-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CC(C)[C@@H](CNC(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000071932388 507727341 /nfs/dbraw/zinc/72/73/41/507727341.db2.gz AZEFVRKFBGFGNC-RBUKOAKNSA-N 1 3 352.567 2.774 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)c2ccccc2OCCN(C)C)CC1 ZINC000063758580 507767797 /nfs/dbraw/zinc/76/77/97/507767797.db2.gz FRNUYJAHKJNSLD-UHFFFAOYSA-N 1 3 361.530 2.869 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000051758848 507783042 /nfs/dbraw/zinc/78/30/42/507783042.db2.gz YRZCGHPRDLBNIN-UHFFFAOYSA-N 1 3 370.541 2.919 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3C3CCCC3)CC2)CC1 ZINC000051777788 507784405 /nfs/dbraw/zinc/78/44/05/507784405.db2.gz BDAXNXHCAQRUPZ-HXUWFJFHSA-N 1 3 362.562 2.909 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000073038925 507887030 /nfs/dbraw/zinc/88/70/30/507887030.db2.gz SLEGLPACRYWQTJ-FUHWJXTLSA-N 1 3 358.530 2.843 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(c3nccs3)CC2)C[C@H](C)O1 ZINC000090117477 507909912 /nfs/dbraw/zinc/90/99/12/507909912.db2.gz GPTFORDIRNVUFD-IYBDPMFKSA-N 1 3 352.548 2.591 20 0 FFADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([S@](C)=O)cc1 ZINC000090525990 507926337 /nfs/dbraw/zinc/92/63/37/507926337.db2.gz VARICFYMPJAFQF-SJFBNKFASA-N 1 3 364.555 2.843 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000073905142 507965517 /nfs/dbraw/zinc/96/55/17/507965517.db2.gz GKOHAYGWZLMUKJ-INMHGKMJSA-N 1 3 352.548 2.770 20 0 FFADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000091333133 507981109 /nfs/dbraw/zinc/98/11/09/507981109.db2.gz WREJBQOCBRFSLX-OAHLLOKOSA-N 1 3 361.511 2.637 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000091333133 507981110 /nfs/dbraw/zinc/98/11/10/507981110.db2.gz WREJBQOCBRFSLX-OAHLLOKOSA-N 1 3 361.511 2.637 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000079633753 507985375 /nfs/dbraw/zinc/98/53/75/507985375.db2.gz ASPYIKZSGKEYDV-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000074168528 507994286 /nfs/dbraw/zinc/99/42/86/507994286.db2.gz CUSCJXULKMKHOY-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000080109575 508039588 /nfs/dbraw/zinc/03/95/88/508039588.db2.gz UJVPVOGNKPGXFM-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000080109575 508039589 /nfs/dbraw/zinc/03/95/89/508039589.db2.gz UJVPVOGNKPGXFM-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000371402187 512378503 /nfs/dbraw/zinc/37/85/03/512378503.db2.gz VHZQJNGISRUQCA-OXJNMPFZSA-N 1 3 372.513 2.989 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000092500757 508075325 /nfs/dbraw/zinc/07/53/25/508075325.db2.gz NPUHERVLQPVFKG-IBGZPJMESA-N 1 3 373.545 2.671 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000092500757 508075328 /nfs/dbraw/zinc/07/53/28/508075328.db2.gz NPUHERVLQPVFKG-IBGZPJMESA-N 1 3 373.545 2.671 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000092500940 508075432 /nfs/dbraw/zinc/07/54/32/508075432.db2.gz MUWVPIPZAXOBKF-KRWDZBQOSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000092500940 508075434 /nfs/dbraw/zinc/07/54/34/508075434.db2.gz MUWVPIPZAXOBKF-KRWDZBQOSA-N 1 3 373.545 2.812 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)CC(F)(F)F ZINC000092820917 508102046 /nfs/dbraw/zinc/10/20/46/508102046.db2.gz GUSATVBTNBGABW-UHFFFAOYSA-N 1 3 372.435 2.641 20 0 FFADHO C[C@@H]1CCCN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821630 508103089 /nfs/dbraw/zinc/10/30/89/508103089.db2.gz AIIJIWVDLRHDGE-GOSISDBHSA-N 1 3 358.530 2.878 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000093769437 508154362 /nfs/dbraw/zinc/15/43/62/508154362.db2.gz MUNMHYXOMROESK-UHFFFAOYSA-N 1 3 373.545 2.917 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000093769437 508154364 /nfs/dbraw/zinc/15/43/64/508154364.db2.gz MUNMHYXOMROESK-UHFFFAOYSA-N 1 3 373.545 2.917 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)CC1 ZINC000093813721 508156393 /nfs/dbraw/zinc/15/63/93/508156393.db2.gz ZOIZKMQOFXTUOY-OAQYLSRUSA-N 1 3 359.514 2.604 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@](C)(C(=O)OC)C2)CC1 ZINC000093813721 508156395 /nfs/dbraw/zinc/15/63/95/508156395.db2.gz ZOIZKMQOFXTUOY-OAQYLSRUSA-N 1 3 359.514 2.604 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC3CC[NH+](CC)CC3)cc2)CC1 ZINC000076198404 508168993 /nfs/dbraw/zinc/16/89/93/508168993.db2.gz FKWDYRULAOXPSC-UHFFFAOYSA-N 1 3 372.557 2.680 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000112432875 508185266 /nfs/dbraw/zinc/18/52/66/508185266.db2.gz MTXSSZCGSCPMSU-INIZCTEOSA-N 1 3 352.548 2.916 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000112432875 508185270 /nfs/dbraw/zinc/18/52/70/508185270.db2.gz MTXSSZCGSCPMSU-INIZCTEOSA-N 1 3 352.548 2.916 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000112747016 508219877 /nfs/dbraw/zinc/21/98/77/508219877.db2.gz AKLNJZJTYLSJTD-QGZVFWFLSA-N 1 3 364.559 2.697 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)c(F)c1 ZINC000101602710 508249583 /nfs/dbraw/zinc/24/95/83/508249583.db2.gz GKSBHJCNSOOFIG-GOSISDBHSA-N 1 3 364.509 2.692 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)c(F)c1 ZINC000101602710 508249585 /nfs/dbraw/zinc/24/95/85/508249585.db2.gz GKSBHJCNSOOFIG-GOSISDBHSA-N 1 3 364.509 2.692 20 0 FFADHO C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085355102 508303131 /nfs/dbraw/zinc/30/31/31/508303131.db2.gz VTRZTTOVDSMADY-KRWDZBQOSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000103236756 508303441 /nfs/dbraw/zinc/30/34/41/508303441.db2.gz VQMOYZVACBJDLA-FQEVSTJZSA-N 1 3 360.546 2.800 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000103236756 508303444 /nfs/dbraw/zinc/30/34/44/508303444.db2.gz VQMOYZVACBJDLA-FQEVSTJZSA-N 1 3 360.546 2.800 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000103307311 508306043 /nfs/dbraw/zinc/30/60/43/508306043.db2.gz DUIRHYBQVSGIRC-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077750898 508365907 /nfs/dbraw/zinc/36/59/07/508365907.db2.gz MCWNOBQDWJJWFZ-WOJBJXKFSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077750898 508365909 /nfs/dbraw/zinc/36/59/09/508365909.db2.gz MCWNOBQDWJJWFZ-WOJBJXKFSA-N 1 3 356.514 2.703 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000105273190 508367535 /nfs/dbraw/zinc/36/75/35/508367535.db2.gz MMINGNGLKIAYNW-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000105273190 508367538 /nfs/dbraw/zinc/36/75/38/508367538.db2.gz MMINGNGLKIAYNW-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000115272136 508379721 /nfs/dbraw/zinc/37/97/21/508379721.db2.gz DCFNYZXSCQPZLE-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000115272136 508379723 /nfs/dbraw/zinc/37/97/23/508379723.db2.gz DCFNYZXSCQPZLE-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000134000711 508479701 /nfs/dbraw/zinc/47/97/01/508479701.db2.gz QEGUQQLVWBIHEY-WMZOPIPTSA-N 1 3 369.431 2.651 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000122653584 508567622 /nfs/dbraw/zinc/56/76/22/508567622.db2.gz CSRGDBADKHCCGA-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000157450391 508567648 /nfs/dbraw/zinc/56/76/48/508567648.db2.gz HRYQEUPUDQIDPA-UHFFFAOYSA-N 1 3 360.546 2.941 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000128281333 508572288 /nfs/dbraw/zinc/57/22/88/508572288.db2.gz DXJIGFALUHYMKG-MRXNPFEDSA-N 1 3 358.530 2.595 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000157504688 508575875 /nfs/dbraw/zinc/57/58/75/508575875.db2.gz IMPCGKUEBYDWOE-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000157504688 508575879 /nfs/dbraw/zinc/57/58/79/508575879.db2.gz IMPCGKUEBYDWOE-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000128362981 508582690 /nfs/dbraw/zinc/58/26/90/508582690.db2.gz MDOPFUGUUREIOH-IBGZPJMESA-N 1 3 360.546 2.638 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000154039454 508704600 /nfs/dbraw/zinc/70/46/00/508704600.db2.gz HUJYDNSSUMOFNP-IBGZPJMESA-N 1 3 364.534 2.863 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000119111984 508728420 /nfs/dbraw/zinc/72/84/20/508728420.db2.gz YIOGCOAGYWISKO-ACBHZAAOSA-N 1 3 350.551 2.767 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000158658146 508736065 /nfs/dbraw/zinc/73/60/65/508736065.db2.gz MGGIPUVEYIMROG-UHFFFAOYSA-N 1 3 372.557 2.999 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000123859729 508749270 /nfs/dbraw/zinc/74/92/70/508749270.db2.gz AUAYXZKDRWWKJK-MJGOQNOKSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000159008369 508780329 /nfs/dbraw/zinc/78/03/29/508780329.db2.gz REHNSRQEIIZMFK-QUCCMNQESA-N 1 3 368.562 2.519 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000159008369 508780335 /nfs/dbraw/zinc/78/03/35/508780335.db2.gz REHNSRQEIIZMFK-QUCCMNQESA-N 1 3 368.562 2.519 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000154711757 508839094 /nfs/dbraw/zinc/83/90/94/508839094.db2.gz ISLULEBWUAIUNP-OAQYLSRUSA-N 1 3 373.541 2.788 20 0 FFADHO O=C1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C2(CCC2)N1 ZINC000367278364 512421863 /nfs/dbraw/zinc/42/18/63/512421863.db2.gz MDCQFJGLQLOPCB-WCIQWLHISA-N 1 3 353.510 2.688 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000119773867 508860158 /nfs/dbraw/zinc/86/01/58/508860158.db2.gz KUPVOEDCSQURRG-UHFFFAOYSA-N 1 3 361.515 2.767 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000130959056 508870108 /nfs/dbraw/zinc/87/01/08/508870108.db2.gz QLHCMIVTLXQDLA-UHFFFAOYSA-N 1 3 366.937 2.506 20 0 FFADHO CN(c1ccccc1CNCCOC[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000150917829 508922620 /nfs/dbraw/zinc/92/26/20/508922620.db2.gz OJUDXBUJOXRWTC-HXUWFJFHSA-N 1 3 361.530 2.502 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000131417405 508929108 /nfs/dbraw/zinc/92/91/08/508929108.db2.gz KHXIZAGPFCKAOO-KRWDZBQOSA-N 1 3 373.545 2.779 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377740649 512428018 /nfs/dbraw/zinc/42/80/18/512428018.db2.gz UZTGDYVQHADQMG-IBGZPJMESA-N 1 3 365.497 2.691 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)Cc1ccccc1 ZINC000120243159 508956798 /nfs/dbraw/zinc/95/67/98/508956798.db2.gz YXUIUDKVZMTWQB-SESVDKBCSA-N 1 3 374.573 2.921 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)Cc1ccccc1 ZINC000120243473 508956891 /nfs/dbraw/zinc/95/68/91/508956891.db2.gz YXUIUDKVZMTWQB-JBACZVJFSA-N 1 3 374.573 2.921 20 0 FFADHO CC[NH+]1CCN(c2ccccc2CN2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000131928180 508982486 /nfs/dbraw/zinc/98/24/86/508982486.db2.gz JUNMFTZYDRWQLG-OAQYLSRUSA-N 1 3 353.514 2.899 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000131928180 508982487 /nfs/dbraw/zinc/98/24/87/508982487.db2.gz JUNMFTZYDRWQLG-OAQYLSRUSA-N 1 3 353.514 2.899 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000131928180 508982489 /nfs/dbraw/zinc/98/24/89/508982489.db2.gz JUNMFTZYDRWQLG-OAQYLSRUSA-N 1 3 353.514 2.899 20 0 FFADHO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132877979 509086511 /nfs/dbraw/zinc/08/65/11/509086511.db2.gz MTQBBSDZTBYRQA-MSOLQXFVSA-N 1 3 362.514 2.863 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121082778 509123765 /nfs/dbraw/zinc/12/37/65/509123765.db2.gz LCBATSZYGMJVJG-MOPGFXCFSA-N 1 3 367.578 2.891 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000156269819 509153063 /nfs/dbraw/zinc/15/30/63/509153063.db2.gz SXLVHOFPLVTHAW-DBXWQHBBSA-N 1 3 357.542 2.786 20 0 FFADHO C[C@H](CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000263863804 509192566 /nfs/dbraw/zinc/19/25/66/509192566.db2.gz GWRUGROGEBYUFU-GOSISDBHSA-N 1 3 372.557 2.990 20 0 FFADHO c1sc(-c2ccccc2)nc1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178978431 509210941 /nfs/dbraw/zinc/21/09/41/509210941.db2.gz OMFDKGFSKVOHHF-UHFFFAOYSA-N 1 3 356.539 2.927 20 0 FFADHO CC[C@H](NCc1ccccc1CN1CC[NH+](CC)CC1)c1nccn1C ZINC000182474870 509258010 /nfs/dbraw/zinc/25/80/10/509258010.db2.gz FHPFUZXRTAPMNN-FQEVSTJZSA-N 1 3 355.530 2.799 20 0 FFADHO CSCCCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000182481937 509262685 /nfs/dbraw/zinc/26/26/85/509262685.db2.gz DCGYOJKFEWXPQV-UHFFFAOYSA-N 1 3 370.607 2.768 20 0 FFADHO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000248408995 509303434 /nfs/dbraw/zinc/30/34/34/509303434.db2.gz WBTZYZNWNDQTIR-IVAOSVALSA-N 1 3 370.541 2.681 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248408995 509303437 /nfs/dbraw/zinc/30/34/37/509303437.db2.gz WBTZYZNWNDQTIR-IVAOSVALSA-N 1 3 370.541 2.681 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248408995 509303447 /nfs/dbraw/zinc/30/34/47/509303447.db2.gz WBTZYZNWNDQTIR-IVAOSVALSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](NCCC(=O)Nc1cc(N)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699978 509311680 /nfs/dbraw/zinc/31/16/80/509311680.db2.gz HJMWQQGHBWSYKB-GJZGRUSLSA-N 1 3 362.493 2.979 20 0 FFADHO C[C@H](NCCC(=O)Nc1cc(N)ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699978 509311688 /nfs/dbraw/zinc/31/16/88/509311688.db2.gz HJMWQQGHBWSYKB-GJZGRUSLSA-N 1 3 362.493 2.979 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000185699978 509311693 /nfs/dbraw/zinc/31/16/93/509311693.db2.gz HJMWQQGHBWSYKB-GJZGRUSLSA-N 1 3 362.493 2.979 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc4ccc(F)cc4c3)CC2)CC1 ZINC000179222976 509326355 /nfs/dbraw/zinc/32/63/55/509326355.db2.gz OFULJYDYSFOCFX-UHFFFAOYSA-N 1 3 370.472 2.662 20 0 FFADHO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000248457030 509329259 /nfs/dbraw/zinc/32/92/59/509329259.db2.gz SSMSJYYQUMXBBV-FCHUYYIVSA-N 1 3 354.494 2.601 20 0 FFADHO C[N@H+](CCN1CCN(CCCOCC(F)(F)F)CC1)Cc1ccccc1 ZINC000264146169 509350887 /nfs/dbraw/zinc/35/08/87/509350887.db2.gz PJNOFCBTDPOGGC-UHFFFAOYSA-N 1 3 373.463 2.705 20 0 FFADHO C[N@@H+](CCN1CCN(CCCOCC(F)(F)F)CC1)Cc1ccccc1 ZINC000264146169 509350892 /nfs/dbraw/zinc/35/08/92/509350892.db2.gz PJNOFCBTDPOGGC-UHFFFAOYSA-N 1 3 373.463 2.705 20 0 FFADHO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000248544892 509356238 /nfs/dbraw/zinc/35/62/38/509356238.db2.gz DBDXOXJONUIGIM-LDQXTDLNSA-N 1 3 374.525 2.872 20 0 FFADHO C[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)CN1CCCC1 ZINC000189053296 509388687 /nfs/dbraw/zinc/38/86/87/509388687.db2.gz XILGOGLKKGNXGW-AOCRQIFASA-N 1 3 369.509 2.915 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000192229405 509417906 /nfs/dbraw/zinc/41/79/06/509417906.db2.gz AHVNNMPZUMUOGY-NRFANRHFSA-N 1 3 373.541 2.514 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248828140 509500698 /nfs/dbraw/zinc/50/06/98/509500698.db2.gz MDQBOCMSIMMROX-HLAWJBBLSA-N 1 3 372.557 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248828140 509500705 /nfs/dbraw/zinc/50/07/05/509500705.db2.gz MDQBOCMSIMMROX-HLAWJBBLSA-N 1 3 372.557 2.880 20 0 FFADHO FC(F)(F)C(F)(F)COCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000189489928 509601027 /nfs/dbraw/zinc/60/10/27/509601027.db2.gz JXNLZLSILRXCMH-UHFFFAOYSA-N 1 3 374.394 2.777 20 0 FFADHO C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)Cc1ccccc1 ZINC000176617494 509612624 /nfs/dbraw/zinc/61/26/24/509612624.db2.gz JXWSMKOMNCKIMM-OHSMVPPVSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N(C)Cc1ccccc1 ZINC000176617494 509612625 /nfs/dbraw/zinc/61/26/25/509612625.db2.gz JXWSMKOMNCKIMM-OHSMVPPVSA-N 1 3 358.530 2.821 20 0 FFADHO COC1CCC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000183164180 509635332 /nfs/dbraw/zinc/63/53/32/509635332.db2.gz QVBDSCZBLIWHDG-UHFFFAOYSA-N 1 3 359.514 2.559 20 0 FFADHO COC(=O)[C@H](C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192772502 509638570 /nfs/dbraw/zinc/63/85/70/509638570.db2.gz MTDNFBPLVIYMDW-UYAOXDASSA-N 1 3 361.530 2.543 20 0 FFADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000168544534 509648851 /nfs/dbraw/zinc/64/88/51/509648851.db2.gz FQHCVGIDIIZPEJ-KXBFYZLASA-N 1 3 360.502 2.813 20 0 FFADHO Cc1nc2n(n1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000192809028 509653463 /nfs/dbraw/zinc/65/34/63/509653463.db2.gz SQAXVAFMTZXDQY-UMQXSMKFSA-N 1 3 351.498 2.687 20 0 FFADHO Cc1nc2n(n1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000192809028 509653466 /nfs/dbraw/zinc/65/34/66/509653466.db2.gz SQAXVAFMTZXDQY-UMQXSMKFSA-N 1 3 351.498 2.687 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2ccccc2)o1 ZINC000168955302 509655000 /nfs/dbraw/zinc/65/50/00/509655000.db2.gz STGJHVXORYLBED-IBGZPJMESA-N 1 3 371.525 2.987 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000173578125 509656450 /nfs/dbraw/zinc/65/64/50/509656450.db2.gz MASSCDYHRJNJJI-CQSZACIVSA-N 1 3 372.435 2.984 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000173578125 509656453 /nfs/dbraw/zinc/65/64/53/509656453.db2.gz MASSCDYHRJNJJI-CQSZACIVSA-N 1 3 372.435 2.984 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000267958640 509688147 /nfs/dbraw/zinc/68/81/47/509688147.db2.gz DDTBIAJUOUHGTN-KDURUIRLSA-N 1 3 373.541 2.902 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000176861980 509731093 /nfs/dbraw/zinc/73/10/93/509731093.db2.gz OLWCBIMDERCIQS-HNNXBMFYSA-N 1 3 361.486 2.581 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000170756384 509759515 /nfs/dbraw/zinc/75/95/15/509759515.db2.gz PYEGSNIIULNPJU-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000173782597 509774443 /nfs/dbraw/zinc/77/44/43/509774443.db2.gz OJJXXKFAHDHXTQ-UXHICEINSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)N1CCCCCC1 ZINC000186617969 509804879 /nfs/dbraw/zinc/80/48/79/509804879.db2.gz VHPAAUMPUKQQCX-ICSRJNTNSA-N 1 3 358.530 2.817 20 0 FFADHO [NH3+]C[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000238080289 509816083 /nfs/dbraw/zinc/81/60/83/509816083.db2.gz VGOMPUJZSVTSRI-WMZOPIPTSA-N 1 3 369.431 2.638 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000252152153 509833989 /nfs/dbraw/zinc/83/39/89/509833989.db2.gz MQTBNQKULJYQSY-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000252152153 509833997 /nfs/dbraw/zinc/83/39/97/509833997.db2.gz MQTBNQKULJYQSY-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO COC1CCC(N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000265186518 509908966 /nfs/dbraw/zinc/90/89/66/509908966.db2.gz GFZLVXVVTSBIPR-UHFFFAOYSA-N 1 3 373.541 2.788 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000255958571 509941224 /nfs/dbraw/zinc/94/12/24/509941224.db2.gz GOEFVEIZWVMFJY-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000255958571 509941231 /nfs/dbraw/zinc/94/12/31/509941231.db2.gz GOEFVEIZWVMFJY-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO C(=C/C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)\CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193590729 509979251 /nfs/dbraw/zinc/97/92/51/509979251.db2.gz TYKQHPGQFFDPQA-QLJMBOKNSA-N 1 3 354.502 2.748 20 0 FFADHO C(=C/C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)\CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193590729 509979260 /nfs/dbraw/zinc/97/92/60/509979260.db2.gz TYKQHPGQFFDPQA-QLJMBOKNSA-N 1 3 354.502 2.748 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000177299157 509985956 /nfs/dbraw/zinc/98/59/56/509985956.db2.gz NPZJFIFGHHOBQU-DLBZAZTESA-N 1 3 367.559 2.708 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CCN1C ZINC000245602054 510032562 /nfs/dbraw/zinc/03/25/62/510032562.db2.gz PEFQPBSUBISAGI-DQEVTTJGSA-N 1 3 351.922 2.784 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000177397142 510036562 /nfs/dbraw/zinc/03/65/62/510036562.db2.gz BYZWDIQRVPREPF-KRWDZBQOSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000245665411 510072202 /nfs/dbraw/zinc/07/22/02/510072202.db2.gz DSUKOHZGOIPTRJ-YZGWKJHDSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000245665411 510072209 /nfs/dbraw/zinc/07/22/09/510072209.db2.gz DSUKOHZGOIPTRJ-YZGWKJHDSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000177502431 510101593 /nfs/dbraw/zinc/10/15/93/510101593.db2.gz DRKCBCRMKXSAFW-CTNGQTDRSA-N 1 3 372.557 2.820 20 0 FFADHO c1csc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)CC2)c1 ZINC000261923464 510118170 /nfs/dbraw/zinc/11/81/70/510118170.db2.gz KRNJWYPGACKTDL-VAMGGRTRSA-N 1 3 363.571 2.707 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261929162 510119302 /nfs/dbraw/zinc/11/93/02/510119302.db2.gz KSVHXLAAHIEHGX-WOJBJXKFSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC(N)=O)c1 ZINC000268901367 510125797 /nfs/dbraw/zinc/12/57/97/510125797.db2.gz CPOWVDCYGKKOJH-LAUBAEHRSA-N 1 3 367.493 2.551 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC(N)=O)c1 ZINC000268901367 510125802 /nfs/dbraw/zinc/12/58/02/510125802.db2.gz CPOWVDCYGKKOJH-LAUBAEHRSA-N 1 3 367.493 2.551 20 0 FFADHO FC(F)Oc1ccc2ccccc2c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262148774 510192444 /nfs/dbraw/zinc/19/24/44/510192444.db2.gz QTKUINZJHHDKOT-INIZCTEOSA-N 1 3 361.436 2.921 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)CC[C@H]21 ZINC000269043214 510207394 /nfs/dbraw/zinc/20/73/94/510207394.db2.gz VXVVKPATWNTHBC-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)CC[C@H]21 ZINC000269043214 510207397 /nfs/dbraw/zinc/20/73/97/510207397.db2.gz VXVVKPATWNTHBC-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCN([C@H]2CC[N@H+](Cc3ccc(OC(F)F)c(OC)c3)C2)CC1 ZINC000171526850 510208721 /nfs/dbraw/zinc/20/87/21/510208721.db2.gz XWHMAWVGBZWUKP-INIZCTEOSA-N 1 3 369.456 2.508 20 0 FFADHO CCN1CCN([C@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(OC)c3)C2)CC1 ZINC000171526850 510208727 /nfs/dbraw/zinc/20/87/27/510208727.db2.gz XWHMAWVGBZWUKP-INIZCTEOSA-N 1 3 369.456 2.508 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000181000602 510232439 /nfs/dbraw/zinc/23/24/39/510232439.db2.gz IEQCUNLFYGBJAL-FQEVSTJZSA-N 1 3 355.457 2.894 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246120989 510305112 /nfs/dbraw/zinc/30/51/12/510305112.db2.gz IJDJDAXAGZVGDO-ZSYWTGECSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246120989 510305120 /nfs/dbraw/zinc/30/51/20/510305120.db2.gz IJDJDAXAGZVGDO-ZSYWTGECSA-N 1 3 352.567 2.869 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246171376 510336563 /nfs/dbraw/zinc/33/65/63/510336563.db2.gz FYFHZUGEDFZXBJ-KZNAEPCWSA-N 1 3 352.567 2.869 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246171376 510336568 /nfs/dbraw/zinc/33/65/68/510336568.db2.gz FYFHZUGEDFZXBJ-KZNAEPCWSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000246203827 510358991 /nfs/dbraw/zinc/35/89/91/510358991.db2.gz NBKVZHLGPPDLBB-KZNAEPCWSA-N 1 3 370.607 2.718 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000246203827 510358998 /nfs/dbraw/zinc/35/89/98/510358998.db2.gz NBKVZHLGPPDLBB-KZNAEPCWSA-N 1 3 370.607 2.718 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@@H]1c1cccs1 ZINC000246204277 510362439 /nfs/dbraw/zinc/36/24/39/510362439.db2.gz NDFVOPJXZWLFPU-JFIYKMOQSA-N 1 3 364.559 2.772 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1cccs1 ZINC000246204277 510362445 /nfs/dbraw/zinc/36/24/45/510362445.db2.gz NDFVOPJXZWLFPU-JFIYKMOQSA-N 1 3 364.559 2.772 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000194474956 510383647 /nfs/dbraw/zinc/38/36/47/510383647.db2.gz PJYLJBNPDBZULH-UHFFFAOYSA-N 1 3 361.555 2.951 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000184561230 510389404 /nfs/dbraw/zinc/38/94/04/510389404.db2.gz AMECUIDLOFUCAI-FPOVZHCZSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000184561230 510389408 /nfs/dbraw/zinc/38/94/08/510389408.db2.gz AMECUIDLOFUCAI-FPOVZHCZSA-N 1 3 372.557 2.927 20 0 FFADHO CN1CCCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000246256893 510391957 /nfs/dbraw/zinc/39/19/57/510391957.db2.gz KKXGTBSQWHFXKS-UXPWSPDFSA-N 1 3 356.514 2.688 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000246271386 510400407 /nfs/dbraw/zinc/40/04/07/510400407.db2.gz JAONYZUZIJZHKC-YZGWKJHDSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000246271386 510400409 /nfs/dbraw/zinc/40/04/09/510400409.db2.gz JAONYZUZIJZHKC-YZGWKJHDSA-N 1 3 358.530 2.805 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266138659 510428696 /nfs/dbraw/zinc/42/86/96/510428696.db2.gz LIGXAXTULCRQOJ-GOSISDBHSA-N 1 3 359.514 2.575 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CSCCN2)C1 ZINC000246343581 510437468 /nfs/dbraw/zinc/43/74/68/510437468.db2.gz VUKSDXFMYWXPBR-APWZRJJASA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CSCCN2)C1 ZINC000246343581 510437475 /nfs/dbraw/zinc/43/74/75/510437475.db2.gz VUKSDXFMYWXPBR-APWZRJJASA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000262881780 510455729 /nfs/dbraw/zinc/45/57/29/510455729.db2.gz NMLHKROMVWGBEI-KYJSFNMBSA-N 1 3 369.431 2.698 20 0 FFADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1COc2ccccc21 ZINC000184689776 510464483 /nfs/dbraw/zinc/46/44/83/510464483.db2.gz ZVCMKEGRUMYBLF-VDGAXYAQSA-N 1 3 367.493 2.560 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000246416858 510478106 /nfs/dbraw/zinc/47/81/06/510478106.db2.gz BQYBMGQUTJPXSX-FFGOWVMKSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000246416858 510478112 /nfs/dbraw/zinc/47/81/12/510478112.db2.gz BQYBMGQUTJPXSX-FFGOWVMKSA-N 1 3 356.514 2.528 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000246438555 510490337 /nfs/dbraw/zinc/49/03/37/510490337.db2.gz UBDAPGACRFBFNO-SJORKVTESA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000246438555 510490340 /nfs/dbraw/zinc/49/03/40/510490340.db2.gz UBDAPGACRFBFNO-SJORKVTESA-N 1 3 364.559 2.744 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178234992 510501762 /nfs/dbraw/zinc/50/17/62/510501762.db2.gz CTUQUEHYGFLECG-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178234992 510501768 /nfs/dbraw/zinc/50/17/68/510501768.db2.gz CTUQUEHYGFLECG-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000246528922 510538831 /nfs/dbraw/zinc/53/88/31/510538831.db2.gz XSPGFHHPZVOVDN-OKYOBFRVSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000246624741 510589141 /nfs/dbraw/zinc/58/91/41/510589141.db2.gz YFCMQXXAODAVCD-RLLQIKCJSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000246624741 510589148 /nfs/dbraw/zinc/58/91/48/510589148.db2.gz YFCMQXXAODAVCD-RLLQIKCJSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000263252444 510631417 /nfs/dbraw/zinc/63/14/17/510631417.db2.gz JXUHRAFUXYHSPV-YWZLYKJASA-N 1 3 368.481 2.851 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000175479222 510660449 /nfs/dbraw/zinc/66/04/49/510660449.db2.gz ROWASTWVSMHNQN-FPOVZHCZSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000175479222 510660454 /nfs/dbraw/zinc/66/04/54/510660454.db2.gz ROWASTWVSMHNQN-FPOVZHCZSA-N 1 3 372.557 2.882 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4cnccc43)CC2)CC1 ZINC000266638412 510702414 /nfs/dbraw/zinc/70/24/14/510702414.db2.gz BTNBNMFDVAHOAY-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000266675929 510722592 /nfs/dbraw/zinc/72/25/92/510722592.db2.gz PFEFYNAVJXADFA-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000266675929 510722594 /nfs/dbraw/zinc/72/25/94/510722594.db2.gz PFEFYNAVJXADFA-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO CCN1CCC(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000266683275 510726898 /nfs/dbraw/zinc/72/68/98/510726898.db2.gz JQEUTSQBQRZAPD-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCC(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000266683275 510726905 /nfs/dbraw/zinc/72/69/05/510726905.db2.gz JQEUTSQBQRZAPD-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO C(=C/C[NH+]1CCC(c2ncc[nH]2)CC1)\CN1CCC(c2ncc[nH]2)CC1 ZINC000266716865 510746071 /nfs/dbraw/zinc/74/60/71/510746071.db2.gz GNOHILWFWWYEPU-OWOJBTEDSA-N 1 3 354.502 2.748 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000246918000 510746295 /nfs/dbraw/zinc/74/62/95/510746295.db2.gz GGBBWVRRQZADBZ-JDNULILRSA-N 1 3 373.541 2.754 20 0 FFADHO Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000263660869 510774515 /nfs/dbraw/zinc/77/45/15/510774515.db2.gz AAHQCHLPOWJTLS-NRFANRHFSA-N 1 3 370.541 2.840 20 0 FFADHO CS[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000172532085 510775144 /nfs/dbraw/zinc/77/51/44/510775144.db2.gz NXJANOAKLWJJQO-IBGZPJMESA-N 1 3 361.555 2.766 20 0 FFADHO CN1CCCN(CCC[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000182327754 510850886 /nfs/dbraw/zinc/85/08/86/510850886.db2.gz WTJRBCADBRWDFW-NHCUHLMSSA-N 1 3 359.558 2.988 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000247269804 510854788 /nfs/dbraw/zinc/85/47/88/510854788.db2.gz RDKYKCXUCOHSRO-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000247269804 510854789 /nfs/dbraw/zinc/85/47/89/510854789.db2.gz RDKYKCXUCOHSRO-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000247336069 510857543 /nfs/dbraw/zinc/85/75/43/510857543.db2.gz JSURPGMKPZBIQI-CEXWTWQISA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](CCc3nc4ccccc4n3C)CC2)CC1 ZINC000270907307 511021451 /nfs/dbraw/zinc/02/14/51/511021451.db2.gz NLOQWBVFDKFOCM-UHFFFAOYSA-N 1 3 369.557 2.606 20 0 FFADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000279269420 511022626 /nfs/dbraw/zinc/02/26/26/511022626.db2.gz YRSQFPARQMPYKN-SFHVURJKSA-N 1 3 371.525 2.608 20 0 FFADHO Cc1ccc(CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(-c2cnn(C)c2)c1 ZINC000282646661 511059111 /nfs/dbraw/zinc/05/91/11/511059111.db2.gz LNRYGXXHMXTRBA-FCHUYYIVSA-N 1 3 368.525 2.863 20 0 FFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000271474373 511216223 /nfs/dbraw/zinc/21/62/23/511216223.db2.gz HVUZDKBCMKNMGS-AQNXPRMDSA-N 1 3 360.498 2.876 20 0 FFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000271474377 511216947 /nfs/dbraw/zinc/21/69/47/511216947.db2.gz HVUZDKBCMKNMGS-HSALFYBXSA-N 1 3 360.498 2.876 20 0 FFADHO CCCN[C@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000295232055 511330478 /nfs/dbraw/zinc/33/04/78/511330478.db2.gz RYLHIWAMGUFFRR-CQSZACIVSA-N 1 3 350.482 2.683 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000365245404 511340060 /nfs/dbraw/zinc/34/00/60/511340060.db2.gz WEDIDKLYJJDQGW-PGRDOPGGSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000365245404 511340063 /nfs/dbraw/zinc/34/00/63/511340063.db2.gz WEDIDKLYJJDQGW-PGRDOPGGSA-N 1 3 357.542 2.933 20 0 FFADHO COc1cc([C@H](C)NCC2=CC[N@H+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000271897482 511363481 /nfs/dbraw/zinc/36/34/81/511363481.db2.gz UOHKHEXBALNOPZ-LBPRGKRZSA-N 1 3 374.453 2.604 20 0 FFADHO COc1cc([C@H](C)NCC2=CC[N@@H+](C)CC2)ccc1S(=O)(=O)C(F)F ZINC000271897482 511363487 /nfs/dbraw/zinc/36/34/87/511363487.db2.gz UOHKHEXBALNOPZ-LBPRGKRZSA-N 1 3 374.453 2.604 20 0 FFADHO COc1nccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000295681115 511480845 /nfs/dbraw/zinc/48/08/45/511480845.db2.gz KXXBRPVLZZMYFT-UHFFFAOYSA-N 1 3 370.497 2.646 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363369220 511507584 /nfs/dbraw/zinc/50/75/84/511507584.db2.gz IJPJMYAVKNPIJP-NRFANRHFSA-N 1 3 355.526 2.985 20 0 FFADHO OC1CCN(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000295831963 511529835 /nfs/dbraw/zinc/52/98/35/511529835.db2.gz CSVLGMUSTVXLBO-ACIOBRDBSA-N 1 3 371.569 2.724 20 0 FFADHO OC1CCN(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000295831963 511529839 /nfs/dbraw/zinc/52/98/39/511529839.db2.gz CSVLGMUSTVXLBO-ACIOBRDBSA-N 1 3 371.569 2.724 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292360325 511568023 /nfs/dbraw/zinc/56/80/23/511568023.db2.gz YQOXZZYLIHLJST-KURKYZTESA-N 1 3 361.530 2.928 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000299319848 511591933 /nfs/dbraw/zinc/59/19/33/511591933.db2.gz NTQVMWMTZBBLQI-LPHOPBHVSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000299319848 511591934 /nfs/dbraw/zinc/59/19/34/511591934.db2.gz NTQVMWMTZBBLQI-LPHOPBHVSA-N 1 3 365.493 2.881 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)C(C)(C)n1cncn1 ZINC000284130723 511616617 /nfs/dbraw/zinc/61/66/17/511616617.db2.gz ODWZLBBRJHPOKS-QGZVFWFLSA-N 1 3 359.518 2.912 20 0 FFADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000284166815 511628532 /nfs/dbraw/zinc/62/85/32/511628532.db2.gz QDVGOCSPWXWULT-OALUTQOASA-N 1 3 352.544 2.974 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000292778834 511716745 /nfs/dbraw/zinc/71/67/45/511716745.db2.gz YXGSOOYDBCKVEP-NXHRZFHOSA-N 1 3 374.447 2.911 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000292778834 511716752 /nfs/dbraw/zinc/71/67/52/511716752.db2.gz YXGSOOYDBCKVEP-NXHRZFHOSA-N 1 3 374.447 2.911 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000365901068 511718693 /nfs/dbraw/zinc/71/86/93/511718693.db2.gz BFCSVGKEHMRGFW-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO CCN1CCN(Cc2ccc(CNC(=[NH2+])N3CCC(C)CC3)cc2)CC1 ZINC000303261244 511732431 /nfs/dbraw/zinc/73/24/31/511732431.db2.gz OFHVHILDEOBGLQ-UHFFFAOYSA-N 1 3 357.546 2.580 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000274160920 511738865 /nfs/dbraw/zinc/73/88/65/511738865.db2.gz IACVMIOKDFWFSV-FWZVCBSNSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000274160920 511738869 /nfs/dbraw/zinc/73/88/69/511738869.db2.gz IACVMIOKDFWFSV-FWZVCBSNSA-N 1 3 370.541 2.821 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000293131941 511852450 /nfs/dbraw/zinc/85/24/50/511852450.db2.gz ZWWPQNONDUQGAC-RBBKRZOGSA-N 1 3 355.526 2.988 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000293131941 511852453 /nfs/dbraw/zinc/85/24/53/511852453.db2.gz ZWWPQNONDUQGAC-RBBKRZOGSA-N 1 3 355.526 2.988 20 0 FFADHO COC[C@]1(C)CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296730751 511873793 /nfs/dbraw/zinc/87/37/93/511873793.db2.gz NXPHQVUVUQHXCA-PGRDOPGGSA-N 1 3 373.541 2.514 20 0 FFADHO CCC1(C[NH2+][C@H](C)CS(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000360062238 512070835 /nfs/dbraw/zinc/07/08/35/512070835.db2.gz VHSPGRWZEBLGFF-QGZVFWFLSA-N 1 3 352.544 2.702 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](C)[C@H](N)c2ccccc2)cc1 ZINC000367593377 512575053 /nfs/dbraw/zinc/57/50/53/512575053.db2.gz JTZSDRLIAZHUFK-DVMWJLJYSA-N 1 3 367.493 2.593 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](C)[C@@H](N)c2ccccc2)cc1 ZINC000367593379 512575707 /nfs/dbraw/zinc/57/57/07/512575707.db2.gz JTZSDRLIAZHUFK-PSOYPTMXSA-N 1 3 367.493 2.593 20 0 FFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000367597563 512577174 /nfs/dbraw/zinc/57/71/74/512577174.db2.gz BTXYYEIMHYCIDS-ANULTFPQSA-N 1 3 355.526 2.683 20 0 FFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000367597563 512577178 /nfs/dbraw/zinc/57/71/78/512577178.db2.gz BTXYYEIMHYCIDS-ANULTFPQSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000376193635 512703500 /nfs/dbraw/zinc/70/35/00/512703500.db2.gz FWJQGVRIEARDIP-HLAWJBBLSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376193635 512703504 /nfs/dbraw/zinc/70/35/04/512703504.db2.gz FWJQGVRIEARDIP-HLAWJBBLSA-N 1 3 372.557 2.880 20 0 FFADHO CCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000411633612 512728840 /nfs/dbraw/zinc/72/88/40/512728840.db2.gz SLNROTGOIFIZIK-RTBURBONSA-N 1 3 365.562 2.693 20 0 FFADHO CCCCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411721371 512778138 /nfs/dbraw/zinc/77/81/38/512778138.db2.gz OLQXSXFFUFOJQU-QZTJIDSGSA-N 1 3 353.551 2.549 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000411724394 512780123 /nfs/dbraw/zinc/78/01/23/512780123.db2.gz DFEMWSTWCASCFY-HMXCVIKNSA-N 1 3 373.541 2.528 20 0 FFADHO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370148705 512791737 /nfs/dbraw/zinc/79/17/37/512791737.db2.gz MADVGXYXNWLXDZ-NQIIRXRSSA-N 1 3 373.541 2.710 20 0 FFADHO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370148705 512791743 /nfs/dbraw/zinc/79/17/43/512791743.db2.gz MADVGXYXNWLXDZ-NQIIRXRSSA-N 1 3 373.541 2.710 20 0 FFADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000411800857 512818389 /nfs/dbraw/zinc/81/83/89/512818389.db2.gz NAOIJGDCIMUIIA-NNWRFLSQSA-N 1 3 355.526 2.809 20 0 FFADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000411800857 512818392 /nfs/dbraw/zinc/81/83/92/512818392.db2.gz NAOIJGDCIMUIIA-NNWRFLSQSA-N 1 3 355.526 2.809 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000379680251 512870302 /nfs/dbraw/zinc/87/03/02/512870302.db2.gz LMFPNKDCSVZFNB-YLJYHZDGSA-N 1 3 351.494 2.971 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000388344661 512895448 /nfs/dbraw/zinc/89/54/48/512895448.db2.gz YUEFEPXYTMEOOE-RTWAWAEBSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388344661 512895453 /nfs/dbraw/zinc/89/54/53/512895453.db2.gz YUEFEPXYTMEOOE-RTWAWAEBSA-N 1 3 354.494 2.846 20 0 FFADHO CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388858235 512898247 /nfs/dbraw/zinc/89/82/47/512898247.db2.gz OXGAPZGZNOIQHE-NHCUHLMSSA-N 1 3 351.494 2.852 20 0 FFADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000411982951 512901366 /nfs/dbraw/zinc/90/13/66/512901366.db2.gz QAPOBCSZPBAQIM-RBUKOAKNSA-N 1 3 365.587 2.681 20 0 FFADHO OC1(CNCc2cccc3c2OCCO3)CC[NH+](Cc2ccccc2)CC1 ZINC000397553118 512947146 /nfs/dbraw/zinc/94/71/46/512947146.db2.gz IQMLLBOCKBPXQM-UHFFFAOYSA-N 1 3 368.477 2.575 20 0 FFADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC(F)(F)CC1 ZINC000376701890 512947332 /nfs/dbraw/zinc/94/73/32/512947332.db2.gz SZCWHHBGETWWKG-UHFFFAOYSA-N 1 3 372.504 2.764 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](CN)c1ccccc1 ZINC000398039495 512953408 /nfs/dbraw/zinc/95/34/08/512953408.db2.gz KLOHFAJABLNDCX-UIFIKXQLSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](CN)c1ccccc1 ZINC000398039495 512953413 /nfs/dbraw/zinc/95/34/13/512953413.db2.gz KLOHFAJABLNDCX-UIFIKXQLSA-N 1 3 351.494 2.756 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)CC1 ZINC000376740266 512966650 /nfs/dbraw/zinc/96/66/50/512966650.db2.gz SCZYXGFRFBUBGP-NRFANRHFSA-N 1 3 357.542 2.873 20 0 FFADHO Cc1csc(N2CCC([NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000370651303 513033391 /nfs/dbraw/zinc/03/33/91/513033391.db2.gz JFXOCVFKKKTIKH-CALCHBBNSA-N 1 3 366.575 2.899 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417673069 513152198 /nfs/dbraw/zinc/15/21/98/513152198.db2.gz VLEBCCGYYANWFU-LEWJYISDSA-N 1 3 370.541 2.682 20 0 FFADHO Cc1ccc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c(OCCN(C)C)c1 ZINC000415205787 513152755 /nfs/dbraw/zinc/15/27/55/513152755.db2.gz RPGJRHYGBSTZMA-SFHVURJKSA-N 1 3 362.518 2.835 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000417675668 513153474 /nfs/dbraw/zinc/15/34/74/513153474.db2.gz CONXBEYVIPJWAM-GOSISDBHSA-N 1 3 370.541 2.997 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417681870 513157746 /nfs/dbraw/zinc/15/77/46/513157746.db2.gz KIBXTXIPGOOHRL-VDGAXYAQSA-N 1 3 372.557 2.886 20 0 FFADHO CC(C)Oc1ccc2nccc(NCCN3CCC([NH+](C)C)CC3)c2c1 ZINC000450367665 513161586 /nfs/dbraw/zinc/16/15/86/513161586.db2.gz CSIGNGVJGLCONO-UHFFFAOYSA-N 1 3 356.514 2.882 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000417689566 513163937 /nfs/dbraw/zinc/16/39/37/513163937.db2.gz KLCFVLRTIGPEDH-PLWAMTLXSA-N 1 3 370.541 2.981 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417692539 513165564 /nfs/dbraw/zinc/16/55/64/513165564.db2.gz YQRRLSWQDPBAFR-PXNSSMCTSA-N 1 3 372.557 2.758 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000417694450 513167376 /nfs/dbraw/zinc/16/73/76/513167376.db2.gz RXGHTXBMKFVURU-KPFFTGBYSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000417696472 513168555 /nfs/dbraw/zinc/16/85/55/513168555.db2.gz VLVMOSYQPCESLK-YSIASYRMSA-N 1 3 370.541 2.853 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417703251 513173039 /nfs/dbraw/zinc/17/30/39/513173039.db2.gz PBMFOOAWOWJYAA-IPMKNSEASA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417818394 513220854 /nfs/dbraw/zinc/22/08/54/513220854.db2.gz FIZJSNCTOCUKMU-AHRSYUTCSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417833224 513227945 /nfs/dbraw/zinc/22/79/45/513227945.db2.gz UISMFNLWBXQIQC-MDNKFWRPSA-N 1 3 358.530 2.714 20 0 FFADHO CN(c1ccccc1C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)C1CCN(C)CC1 ZINC000421360588 513236134 /nfs/dbraw/zinc/23/61/34/513236134.db2.gz JCPSBGPYHXRZBO-IYARVYRRSA-N 1 3 372.557 2.598 20 0 FFADHO C[N@H+](CCOc1cccc(CN[C@@H]2COC(C)(C)C2)c1)C1CCOCC1 ZINC000417900859 513265854 /nfs/dbraw/zinc/26/58/54/513265854.db2.gz MSOIYOGXXSXWCV-SFHVURJKSA-N 1 3 362.514 2.833 20 0 FFADHO C[N@@H+](CCOc1cccc(CN[C@@H]2COC(C)(C)C2)c1)C1CCOCC1 ZINC000417900859 513265861 /nfs/dbraw/zinc/26/58/61/513265861.db2.gz MSOIYOGXXSXWCV-SFHVURJKSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)C1 ZINC000429043538 513266037 /nfs/dbraw/zinc/26/60/37/513266037.db2.gz SMXGMZALAKYTAH-VAPSRWTKSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C)C1 ZINC000429043538 513266044 /nfs/dbraw/zinc/26/60/44/513266044.db2.gz SMXGMZALAKYTAH-VAPSRWTKSA-N 1 3 371.569 2.940 20 0 FFADHO O=C(NC[C@H]1CCCCN1C1CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000429106679 513279415 /nfs/dbraw/zinc/27/94/15/513279415.db2.gz ZTNRTKDHQQLYKH-HXUWFJFHSA-N 1 3 362.562 2.957 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446621152 513298356 /nfs/dbraw/zinc/29/83/56/513298356.db2.gz VFCYRNYLMVLHPG-UHFFFAOYSA-N 1 3 366.937 2.898 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CC[NH3+])CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000417948171 513299899 /nfs/dbraw/zinc/29/98/99/513299899.db2.gz STYDNQJEIWYPJO-RTWAWAEBSA-N 1 3 366.509 2.645 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417980402 513314368 /nfs/dbraw/zinc/31/43/68/513314368.db2.gz KJOPZEIMRGOVCH-LJQANCHMSA-N 1 3 368.525 2.720 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)cc2)CC1 ZINC000429327873 513342384 /nfs/dbraw/zinc/34/23/84/513342384.db2.gz NUSAIUSBSPQKSB-UHFFFAOYSA-N 1 3 364.493 2.727 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN[C@H](C)[C@H]2C)CC1 ZINC000418061997 513358032 /nfs/dbraw/zinc/35/80/32/513358032.db2.gz FTCVVJKGVTZVCC-QZTJIDSGSA-N 1 3 358.530 2.810 20 0 FFADHO COC1(C[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1 ZINC000429421803 513373004 /nfs/dbraw/zinc/37/30/04/513373004.db2.gz GCPKGZQEDYGDTH-GOSISDBHSA-N 1 3 373.541 2.950 20 0 FFADHO CN1CCCN(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429485790 513389223 /nfs/dbraw/zinc/38/92/23/513389223.db2.gz FOCJGFQRYCYUHI-FQEVSTJZSA-N 1 3 372.557 2.807 20 0 FFADHO CN1CCCN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429485790 513389230 /nfs/dbraw/zinc/38/92/30/513389230.db2.gz FOCJGFQRYCYUHI-FQEVSTJZSA-N 1 3 372.557 2.807 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)C1CC1 ZINC000418150411 513392319 /nfs/dbraw/zinc/39/23/19/513392319.db2.gz SIHHMGRBCIIJEA-LJQANCHMSA-N 1 3 358.530 2.586 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccco1 ZINC000418157897 513396229 /nfs/dbraw/zinc/39/62/29/513396229.db2.gz ANTZAMWOVFBLMB-IAGOWNOFSA-N 1 3 362.518 2.884 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccc(Cl)cc1 ZINC000418179800 513407157 /nfs/dbraw/zinc/40/71/57/513407157.db2.gz JWMWAEKFQMVWDJ-JQFCIGGWSA-N 1 3 352.910 2.854 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185228 513410083 /nfs/dbraw/zinc/41/00/83/513410083.db2.gz QVAUCDGFRODGSY-YOEHRIQHSA-N 1 3 352.910 2.713 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC000418184759 513410679 /nfs/dbraw/zinc/41/06/79/513410679.db2.gz AALAXVOEBFOGGN-AZUAARDMSA-N 1 3 370.541 2.825 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000418184738 513410778 /nfs/dbraw/zinc/41/07/78/513410778.db2.gz QHZOYQHBSAAYGP-PXKYIRMRSA-N 1 3 358.530 2.911 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000418230846 513431781 /nfs/dbraw/zinc/43/17/81/513431781.db2.gz KAJORNMENSEQFF-RDTXWAMCSA-N 1 3 364.559 2.780 20 0 FFADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000418230807 513432151 /nfs/dbraw/zinc/43/21/51/513432151.db2.gz JTSQFRMGMWMUJK-AEFFLSMTSA-N 1 3 364.559 2.795 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415810937 513432585 /nfs/dbraw/zinc/43/25/85/513432585.db2.gz WPPZDMVODSXQDL-HNNXBMFYSA-N 1 3 368.909 2.918 20 0 FFADHO O=C(NC1CC[NH2+]CC1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000418311664 513459262 /nfs/dbraw/zinc/45/92/62/513459262.db2.gz RDXWHKNYWBULEB-UHFFFAOYSA-N 1 3 370.541 2.969 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000418326909 513466059 /nfs/dbraw/zinc/46/60/59/513466059.db2.gz LSFCGMYXDUSVTJ-XLIONFOSSA-N 1 3 358.530 2.937 20 0 FFADHO CCN(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418341356 513471700 /nfs/dbraw/zinc/47/17/00/513471700.db2.gz HKSMFMCZFINMBV-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418342757 513473425 /nfs/dbraw/zinc/47/34/25/513473425.db2.gz NEYLRYCTJJQAJM-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000415911038 513473646 /nfs/dbraw/zinc/47/36/46/513473646.db2.gz IXLGPUACTDHFGZ-IRXDYDNUSA-N 1 3 374.529 2.759 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418355144 513480522 /nfs/dbraw/zinc/48/05/22/513480522.db2.gz WKUDCASKPMHISV-IBGZPJMESA-N 1 3 373.545 2.719 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000415930594 513484518 /nfs/dbraw/zinc/48/45/18/513484518.db2.gz APDKWSOQMAVJGE-LJQANCHMSA-N 1 3 368.481 2.810 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418376948 513489131 /nfs/dbraw/zinc/48/91/31/513489131.db2.gz IXMLFYYJPDEWOP-KRWDZBQOSA-N 1 3 352.548 2.729 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415938632 513489476 /nfs/dbraw/zinc/48/94/76/513489476.db2.gz PPFXCHNTMHNSBB-VQIMIIECSA-N 1 3 368.481 2.981 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415938629 513489824 /nfs/dbraw/zinc/48/98/24/513489824.db2.gz PPFXCHNTMHNSBB-APWZRJJASA-N 1 3 368.481 2.981 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415938630 513490075 /nfs/dbraw/zinc/49/00/75/513490075.db2.gz PPFXCHNTMHNSBB-LPHOPBHVSA-N 1 3 368.481 2.981 20 0 FFADHO CN(C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000418399824 513495722 /nfs/dbraw/zinc/49/57/22/513495722.db2.gz FCOYPOTUZHYFDQ-QUCCMNQESA-N 1 3 358.530 2.810 20 0 FFADHO CN1CCC(Oc2ccc(CNC(=O)Nc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000415955102 513497703 /nfs/dbraw/zinc/49/77/03/513497703.db2.gz JLXOQJKLFWQPNV-UHFFFAOYSA-N 1 3 368.481 2.940 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418442020 513512032 /nfs/dbraw/zinc/51/20/32/513512032.db2.gz SIPCPARJUWOLHV-UHFFFAOYSA-N 1 3 356.461 2.556 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC[C@@H]3C3CC3)CC2)CC1 ZINC000413195097 513512751 /nfs/dbraw/zinc/51/27/51/513512751.db2.gz CGXPEEAKQOLFIR-YLJYHZDGSA-N 1 3 362.562 2.671 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415977323 513513267 /nfs/dbraw/zinc/51/32/67/513513267.db2.gz SJLHSXLHEJRANO-MRXNPFEDSA-N 1 3 360.502 2.945 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415977323 513513270 /nfs/dbraw/zinc/51/32/70/513513270.db2.gz SJLHSXLHEJRANO-MRXNPFEDSA-N 1 3 360.502 2.945 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000415979750 513515040 /nfs/dbraw/zinc/51/50/40/513515040.db2.gz XVJRICDXAZXGPF-UHFFFAOYSA-N 1 3 360.502 2.946 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000441281514 513529451 /nfs/dbraw/zinc/52/94/51/513529451.db2.gz FSTAKJOVRPNLQD-QSFXBCCZSA-N 1 3 358.530 2.776 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000441281514 513529459 /nfs/dbraw/zinc/52/94/59/513529459.db2.gz FSTAKJOVRPNLQD-QSFXBCCZSA-N 1 3 358.530 2.776 20 0 FFADHO CCCN(C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418497962 513533793 /nfs/dbraw/zinc/53/37/93/513533793.db2.gz KYLXSVLTUJKGIE-PMACEKPBSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000418499268 513535252 /nfs/dbraw/zinc/53/52/52/513535252.db2.gz LXYCTFYGOYAYPF-UIAACRFSSA-N 1 3 354.498 2.964 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000418499268 513535261 /nfs/dbraw/zinc/53/52/61/513535261.db2.gz LXYCTFYGOYAYPF-UIAACRFSSA-N 1 3 354.498 2.964 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418499844 513535469 /nfs/dbraw/zinc/53/54/69/513535469.db2.gz OQBGJNZZNDCBGM-INIZCTEOSA-N 1 3 372.435 2.516 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2ccccc2c1 ZINC000418503820 513536479 /nfs/dbraw/zinc/53/64/79/513536479.db2.gz ZNIDQLMJJIVIHR-WTGUMLROSA-N 1 3 352.482 2.527 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418502592 513537081 /nfs/dbraw/zinc/53/70/81/513537081.db2.gz VPPRYKPPEZECNQ-INIZCTEOSA-N 1 3 372.435 2.516 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)CNC4)C2)CC1 ZINC000418561306 513558337 /nfs/dbraw/zinc/55/83/37/513558337.db2.gz YYPBVVMAMIYFOU-IBGZPJMESA-N 1 3 370.541 2.943 20 0 FFADHO Cc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Br ZINC000441387918 513559659 /nfs/dbraw/zinc/55/96/59/513559659.db2.gz WVAKIYGXOPHCLH-UHFFFAOYSA-N 1 3 354.336 2.873 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCC1 ZINC000441414466 513564370 /nfs/dbraw/zinc/56/43/70/513564370.db2.gz SYYZQZDHWRVMCO-SUMDDJOVSA-N 1 3 350.551 2.811 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000430142614 513566460 /nfs/dbraw/zinc/56/64/60/513566460.db2.gz VAGKKEOPHLMFKU-MIZPHKNDSA-N 1 3 370.585 2.991 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000430142614 513566465 /nfs/dbraw/zinc/56/64/65/513566465.db2.gz VAGKKEOPHLMFKU-MIZPHKNDSA-N 1 3 370.585 2.991 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418611295 513576701 /nfs/dbraw/zinc/57/67/01/513576701.db2.gz DGNOWOOVBLENDB-UXHICEINSA-N 1 3 373.545 2.595 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccc(F)cc1 ZINC000418623206 513581387 /nfs/dbraw/zinc/58/13/87/513581387.db2.gz WYAOZDVTVAPLKW-IAGOWNOFSA-N 1 3 350.482 2.506 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418691927 513615560 /nfs/dbraw/zinc/61/55/60/513615560.db2.gz RLKAVXUAQHMMJY-GHTZIAJQSA-N 1 3 358.530 2.812 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000418715240 513619931 /nfs/dbraw/zinc/61/99/31/513619931.db2.gz IKNZJIBHHLDVLX-NHCUHLMSSA-N 1 3 372.557 2.854 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418744538 513633868 /nfs/dbraw/zinc/63/38/68/513633868.db2.gz FDPOYAIRFPQRIX-HBMCJLEFSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418744537 513633993 /nfs/dbraw/zinc/63/39/93/513633993.db2.gz FDPOYAIRFPQRIX-ACRUOGEOSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418745293 513635442 /nfs/dbraw/zinc/63/54/42/513635442.db2.gz GJPRVYQLMBIUPC-OAQYLSRUSA-N 1 3 372.557 2.869 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000422247354 513657779 /nfs/dbraw/zinc/65/77/79/513657779.db2.gz WKRBMPCOPPDRIA-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)[C@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000430732056 513737282 /nfs/dbraw/zinc/73/72/82/513737282.db2.gz YNGJPJWCKMEGEH-GOSISDBHSA-N 1 3 360.502 2.813 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCSc1ccc(Cl)cc1 ZINC000436060129 513749210 /nfs/dbraw/zinc/74/92/10/513749210.db2.gz MTASIYIUCQVYDY-OAHLLOKOSA-N 1 3 355.935 2.752 20 0 FFADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(CCCc3ccsc3)C2)CC1 ZINC000451526111 513809237 /nfs/dbraw/zinc/80/92/37/513809237.db2.gz HJJLTGJNFXCDIJ-HXUWFJFHSA-N 1 3 363.571 2.947 20 0 FFADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(CCCc3ccsc3)C2)CC1 ZINC000451526111 513809245 /nfs/dbraw/zinc/80/92/45/513809245.db2.gz HJJLTGJNFXCDIJ-HXUWFJFHSA-N 1 3 363.571 2.947 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426084901 513844009 /nfs/dbraw/zinc/84/40/09/513844009.db2.gz KOJMSTVCPDYGGZ-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431274975 513861414 /nfs/dbraw/zinc/86/14/14/513861414.db2.gz KFWUZBCEVNVMSU-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H]1C[C@H](NC2CCN(c3cc[nH+]cc3)CC2)C(=O)N1c1ccccc1 ZINC000436471493 513863438 /nfs/dbraw/zinc/86/34/38/513863438.db2.gz UHNMQAOQCGSFID-JXFKEZNVSA-N 1 3 350.466 2.834 20 0 FFADHO C[NH+](C)Cc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)c(F)c1 ZINC000413943276 513893215 /nfs/dbraw/zinc/89/32/15/513893215.db2.gz XXPGBOGQJNWSRN-UHFFFAOYSA-N 1 3 363.477 2.861 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2nc(C(C)C)c(C)s2)CC[NH2+]CC1 ZINC000422703268 513907109 /nfs/dbraw/zinc/90/71/09/513907109.db2.gz HJRYKHXPPFMBPC-AWEZNQCLSA-N 1 3 353.532 2.986 20 0 FFADHO c1cc2c(s1)CCN(CCN[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422740980 513918635 /nfs/dbraw/zinc/91/86/35/513918635.db2.gz ONUXXUKDHADTTI-RXVVDRJESA-N 1 3 369.534 2.952 20 0 FFADHO CC[C@H](CC(F)(F)F)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000448853871 513934902 /nfs/dbraw/zinc/93/49/02/513934902.db2.gz RDUYXBVBHIWWPX-HUUCEWRRSA-N 1 3 351.457 2.840 20 0 FFADHO CC[C@H](CC(F)(F)F)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000448853871 513934910 /nfs/dbraw/zinc/93/49/10/513934910.db2.gz RDUYXBVBHIWWPX-HUUCEWRRSA-N 1 3 351.457 2.840 20 0 FFADHO COC[C@@H](CCC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422832324 513946006 /nfs/dbraw/zinc/94/60/06/513946006.db2.gz FQCICKCGQQUZSZ-LJQANCHMSA-N 1 3 365.481 2.778 20 0 FFADHO Cc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCOCC2)c1 ZINC000422853147 513954091 /nfs/dbraw/zinc/95/40/91/513954091.db2.gz BNSSWYGRKAJXMN-VGOFRKELSA-N 1 3 368.525 2.881 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000431652026 513955789 /nfs/dbraw/zinc/95/57/89/513955789.db2.gz RIEDBUNBGJMFMF-LJQANCHMSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422877224 513960747 /nfs/dbraw/zinc/96/07/47/513960747.db2.gz HKWWTZZIFNAPLQ-QFBILLFUSA-N 1 3 365.949 2.909 20 0 FFADHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422878258 513961206 /nfs/dbraw/zinc/96/12/06/513961206.db2.gz JWQWWHJMMVMPJL-QHAWAJNXSA-N 1 3 371.573 2.624 20 0 FFADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885900 513964609 /nfs/dbraw/zinc/96/46/09/513964609.db2.gz ZJRUDSMWJXQGOH-HOTGVXAUSA-N 1 3 353.304 2.967 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000416818983 513981959 /nfs/dbraw/zinc/98/19/59/513981959.db2.gz JBMYFMLWDAFQBD-HQRMLTQVSA-N 1 3 374.529 2.649 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422936312 513982037 /nfs/dbraw/zinc/98/20/37/513982037.db2.gz BIBBFDCNJDGIBI-UHOSZYNNSA-N 1 3 351.922 2.820 20 0 FFADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@@H](C)C3C[NH2+]C3)cc2)cc1 ZINC000422938773 513983173 /nfs/dbraw/zinc/98/31/73/513983173.db2.gz PYWDKROXASSUOA-KRWDZBQOSA-N 1 3 367.493 2.753 20 0 FFADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H](C)C3CNC3)cc2)cc1 ZINC000422938773 513983182 /nfs/dbraw/zinc/98/31/82/513983182.db2.gz PYWDKROXASSUOA-KRWDZBQOSA-N 1 3 367.493 2.753 20 0 FFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422942850 513984488 /nfs/dbraw/zinc/98/44/88/513984488.db2.gz KSSCXVHCXNQYTN-GRDNDAEWSA-N 1 3 352.320 2.992 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416831862 513989014 /nfs/dbraw/zinc/98/90/14/513989014.db2.gz BMNOCJNTNYLLFW-ARFHVFGLSA-N 1 3 350.532 2.796 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000416830862 513989116 /nfs/dbraw/zinc/98/91/16/513989116.db2.gz UUIUDQNCKBZJNZ-MJGOQNOKSA-N 1 3 362.518 2.505 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000416841189 513995320 /nfs/dbraw/zinc/99/53/20/513995320.db2.gz LRBKVIYWVILTRD-INIZCTEOSA-N 1 3 350.532 2.526 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416841008 513995582 /nfs/dbraw/zinc/99/55/82/513995582.db2.gz LNPOIDGZGSKGFW-HZPDHXFCSA-N 1 3 352.548 2.900 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000416843632 513998054 /nfs/dbraw/zinc/99/80/54/513998054.db2.gz OZIMSWURMZZLSO-JKSUJKDBSA-N 1 3 350.532 2.526 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416850286 514001330 /nfs/dbraw/zinc/00/13/30/514001330.db2.gz ZMGWXVHVIPPOLV-CTNGQTDRSA-N 1 3 358.530 2.855 20 0 FFADHO Cc1cccc(CC[C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414192682 514005300 /nfs/dbraw/zinc/00/53/00/514005300.db2.gz MEBLLLUIIIRPPL-FQEVSTJZSA-N 1 3 359.558 2.702 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](COC)c2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000423017811 514008975 /nfs/dbraw/zinc/00/89/75/514008975.db2.gz PPODRGUXTCLDKN-CXAGYDPISA-N 1 3 370.440 2.563 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cc2cc(Br)ccc2[nH]1 ZINC000423054481 514021164 /nfs/dbraw/zinc/02/11/64/514021164.db2.gz UUIBJERIFSIJJO-JJMVLAAESA-N 1 3 352.276 2.772 20 0 FFADHO CCOC(=O)c1csc(CCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000423074793 514029454 /nfs/dbraw/zinc/02/94/54/514029454.db2.gz VHFWWANOFDSORO-JKSUJKDBSA-N 1 3 359.495 2.945 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000423074868 514029513 /nfs/dbraw/zinc/02/95/13/514029513.db2.gz MYCAFVYVNWCJJS-USXIJHARSA-N 1 3 355.320 2.850 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000449072486 514059830 /nfs/dbraw/zinc/05/98/30/514059830.db2.gz KTUMAGJKNUWAPQ-UHFFFAOYSA-N 1 3 373.607 2.679 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000449072486 514059839 /nfs/dbraw/zinc/05/98/39/514059839.db2.gz KTUMAGJKNUWAPQ-UHFFFAOYSA-N 1 3 373.607 2.679 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000423144295 514060011 /nfs/dbraw/zinc/06/00/11/514060011.db2.gz YOZJJZZRUYIRIO-MDKPJZGXSA-N 1 3 364.530 2.898 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3CCCCC[C@H]3N)CC2)cc1 ZINC000423160238 514065219 /nfs/dbraw/zinc/06/52/19/514065219.db2.gz ZJNIIHOKHHAUOB-NHCUHLMSSA-N 1 3 358.530 2.859 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000423168189 514067364 /nfs/dbraw/zinc/06/73/64/514067364.db2.gz XOOBTRRIHCKLMD-PBFPGSCMSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423168189 514067368 /nfs/dbraw/zinc/06/73/68/514067368.db2.gz XOOBTRRIHCKLMD-PBFPGSCMSA-N 1 3 373.310 2.717 20 0 FFADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423173480 514069842 /nfs/dbraw/zinc/06/98/42/514069842.db2.gz YXKYJPXYBNMKFZ-WEYGHZABSA-N 1 3 368.477 2.617 20 0 FFADHO COCCN1CCC([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449108821 514075457 /nfs/dbraw/zinc/07/54/57/514075457.db2.gz VZOUWXMUGXEZMP-LJQANCHMSA-N 1 3 359.558 2.782 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416970261 514075633 /nfs/dbraw/zinc/07/56/33/514075633.db2.gz DPTHLXDWPKOAJN-ICSRJNTNSA-N 1 3 358.530 2.510 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCC1 ZINC000416978405 514086521 /nfs/dbraw/zinc/08/65/21/514086521.db2.gz QXXFECSQPHYYTH-HXUWFJFHSA-N 1 3 358.530 2.510 20 0 FFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(N3CCNCC3)cn2)C1 ZINC000423242589 514090810 /nfs/dbraw/zinc/09/08/10/514090810.db2.gz YVSOXTRWGPDXOE-MJGOQNOKSA-N 1 3 351.498 2.739 20 0 FFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(N3CCNCC3)cn2)C1 ZINC000423242589 514090816 /nfs/dbraw/zinc/09/08/16/514090816.db2.gz YVSOXTRWGPDXOE-MJGOQNOKSA-N 1 3 351.498 2.739 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000420326043 514094146 /nfs/dbraw/zinc/09/41/46/514094146.db2.gz JBNLNCRLDBGDEC-VQTJNVASSA-N 1 3 355.526 2.808 20 0 FFADHO CN1CCO[C@H]([C@@H](NCC[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000423261371 514095700 /nfs/dbraw/zinc/09/57/00/514095700.db2.gz RZVPCQUMSSJVNT-SNRMKQJTSA-N 1 3 351.922 2.691 20 0 FFADHO CC(C)c1ccc(CCNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344954 514103974 /nfs/dbraw/zinc/10/39/74/514103974.db2.gz VEJXFZJZWIKRGM-SFTDATJTSA-N 1 3 357.542 2.790 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2NCCCC2(C)C)cc1Cl ZINC000423358790 514117252 /nfs/dbraw/zinc/11/72/52/514117252.db2.gz UKJJYMNJPSIMHE-MRXNPFEDSA-N 1 3 353.894 2.997 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449219484 514118431 /nfs/dbraw/zinc/11/84/31/514118431.db2.gz NHMJUDKCYXZFGU-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CCN1CCN(CCC[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449221451 514120525 /nfs/dbraw/zinc/12/05/25/514120525.db2.gz SXIRZCQAGNUHHD-OAQYLSRUSA-N 1 3 372.601 2.699 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)N1CCc2ccccc2C1 ZINC000417016599 514122576 /nfs/dbraw/zinc/12/25/76/514122576.db2.gz OCOKPMUMMBBASR-YVWKXTFCSA-N 1 3 358.530 2.592 20 0 FFADHO FC(F)(F)[C@H](CN[C@H](C[C@@H]1CCOC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000423381777 514123108 /nfs/dbraw/zinc/12/31/08/514123108.db2.gz IJALCZUKGJGICD-JQHSSLGASA-N 1 3 371.447 2.580 20 0 FFADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391881 514126227 /nfs/dbraw/zinc/12/62/27/514126227.db2.gz PQBBJXOSFNIKGM-DLBZAZTESA-N 1 3 371.447 2.843 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423422664 514137984 /nfs/dbraw/zinc/13/79/84/514137984.db2.gz DAOPLWDKJDWMKJ-RTBURBONSA-N 1 3 361.530 2.672 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444166701 514140548 /nfs/dbraw/zinc/14/05/48/514140548.db2.gz KHWRDNBESPJBEU-XQBPLPMBSA-N 1 3 355.526 2.575 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000417046735 514141464 /nfs/dbraw/zinc/14/14/64/514141464.db2.gz PLJDIKDSLTVFLH-JYAXBFRTSA-N 1 3 372.557 2.881 20 0 FFADHO CCC[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414478939 514144269 /nfs/dbraw/zinc/14/42/69/514144269.db2.gz GFZKBTRGJFYTFU-NRFANRHFSA-N 1 3 359.558 2.957 20 0 FFADHO CCCN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000444188813 514149218 /nfs/dbraw/zinc/14/92/18/514149218.db2.gz LIPRIGCIMCDIPB-RZUBCFFCSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437658232 514204857 /nfs/dbraw/zinc/20/48/57/514204857.db2.gz NMAGUWMXKZROGI-MJGOQNOKSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437658232 514204859 /nfs/dbraw/zinc/20/48/59/514204859.db2.gz NMAGUWMXKZROGI-MJGOQNOKSA-N 1 3 350.551 2.815 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417181585 514215559 /nfs/dbraw/zinc/21/55/59/514215559.db2.gz IDWPTHLORGZXPA-SFTDATJTSA-N 1 3 368.525 2.939 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423752753 514219904 /nfs/dbraw/zinc/21/99/04/514219904.db2.gz WEVNIQICGAEJIM-SEJPIABJSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423787097 514227797 /nfs/dbraw/zinc/22/77/97/514227797.db2.gz WEXPRLLBMMKPQQ-LKRQXQHHSA-N 1 3 355.526 2.777 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000417220705 514241093 /nfs/dbraw/zinc/24/10/93/514241093.db2.gz YWYDGBJXKYPCLC-QHAWAJNXSA-N 1 3 370.541 2.996 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)C1 ZINC000414706622 514249697 /nfs/dbraw/zinc/24/96/97/514249697.db2.gz OUTGYZSNKJLBCT-LSDHHAIUSA-N 1 3 367.896 2.683 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)C1 ZINC000414706622 514249701 /nfs/dbraw/zinc/24/97/01/514249701.db2.gz OUTGYZSNKJLBCT-LSDHHAIUSA-N 1 3 367.896 2.683 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000423845209 514261188 /nfs/dbraw/zinc/26/11/88/514261188.db2.gz JXOMTJHWGNJWRO-DJPFJPOOSA-N 1 3 356.514 2.503 20 0 FFADHO C[C@H]1C[C@@H](CN2CCN(CCOc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414742226 514268057 /nfs/dbraw/zinc/26/80/57/514268057.db2.gz SYMFAYFJSGRUJN-IRXDYDNUSA-N 1 3 351.922 2.725 20 0 FFADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000414743813 514268195 /nfs/dbraw/zinc/26/81/95/514268195.db2.gz PBAIKEMSRZOERY-IPMKNSEASA-N 1 3 365.562 2.634 20 0 FFADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000414743813 514268202 /nfs/dbraw/zinc/26/82/02/514268202.db2.gz PBAIKEMSRZOERY-IPMKNSEASA-N 1 3 365.562 2.634 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000423892167 514278204 /nfs/dbraw/zinc/27/82/04/514278204.db2.gz KGJQXPXVCSLXOP-FQEVSTJZSA-N 1 3 353.466 2.721 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000423898178 514280119 /nfs/dbraw/zinc/28/01/19/514280119.db2.gz PFZZTHMBBUTRLH-RTBURBONSA-N 1 3 361.530 2.973 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417294920 514280460 /nfs/dbraw/zinc/28/04/60/514280460.db2.gz JDYPAVSCUQNMJZ-CVEARBPZSA-N 1 3 372.435 2.749 20 0 FFADHO CSc1cc(Br)ccc1CNCCCN1CC[NH2+]CC1 ZINC000414774386 514285451 /nfs/dbraw/zinc/28/54/51/514285451.db2.gz BAPPSGPPUBXNPA-UHFFFAOYSA-N 1 3 358.349 2.556 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000414775149 514285934 /nfs/dbraw/zinc/28/59/34/514285934.db2.gz BLFMGYUTXYOEDW-SJORKVTESA-N 1 3 358.404 2.956 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000423916693 514287053 /nfs/dbraw/zinc/28/70/53/514287053.db2.gz ZGOURVXGTJGFQZ-AYWYSENESA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000423916693 514287060 /nfs/dbraw/zinc/28/70/60/514287060.db2.gz ZGOURVXGTJGFQZ-AYWYSENESA-N 1 3 355.526 2.888 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000420770308 514287103 /nfs/dbraw/zinc/28/71/03/514287103.db2.gz ZCLMJOAYHUCTMC-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000420770308 514287110 /nfs/dbraw/zinc/28/71/10/514287110.db2.gz ZCLMJOAYHUCTMC-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000417321828 514295212 /nfs/dbraw/zinc/29/52/12/514295212.db2.gz UJWUPWVLKHUHES-QUCCMNQESA-N 1 3 358.530 2.730 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000432878368 514310774 /nfs/dbraw/zinc/31/07/74/514310774.db2.gz LNGYISVRWKYXSV-UHFFFAOYSA-N 1 3 367.559 2.681 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000432878368 514310781 /nfs/dbraw/zinc/31/07/81/514310781.db2.gz LNGYISVRWKYXSV-UHFFFAOYSA-N 1 3 367.559 2.681 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000420807950 514311268 /nfs/dbraw/zinc/31/12/68/514311268.db2.gz CPSWZWSUZRNOIA-IOJLRTSASA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417374660 514320137 /nfs/dbraw/zinc/32/01/37/514320137.db2.gz YISNZMFXJDPYJE-CVEARBPZSA-N 1 3 352.548 2.633 20 0 FFADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000449718807 514321605 /nfs/dbraw/zinc/32/16/05/514321605.db2.gz PPIHMOSSKSKSDA-NUJGCVRESA-N 1 3 369.431 2.685 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414850591 514322867 /nfs/dbraw/zinc/32/28/67/514322867.db2.gz ZGRGFMDJCLMDOT-MRXNPFEDSA-N 1 3 356.470 2.528 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417383151 514323628 /nfs/dbraw/zinc/32/36/28/514323628.db2.gz WVRQSDNOLJNDOQ-OKZBNKHCSA-N 1 3 363.571 2.626 20 0 FFADHO FC(F)(F)[C@H](CNCc1cccc(-c2ccccn2)c1)N1CC[NH2+]CC1 ZINC000414968054 514380457 /nfs/dbraw/zinc/38/04/57/514380457.db2.gz FKQSGYNHFVJYGY-SFHVURJKSA-N 1 3 364.415 2.674 20 0 FFADHO CCCCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414986346 514388485 /nfs/dbraw/zinc/38/84/85/514388485.db2.gz ITKHHGPZTIRYMK-CTNGQTDRSA-N 1 3 359.514 2.602 20 0 FFADHO CC(C)COc1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414998300 514393095 /nfs/dbraw/zinc/39/30/95/514393095.db2.gz ZMQOAZOGPHNSEE-KRWDZBQOSA-N 1 3 359.436 2.647 20 0 FFADHO Brc1cc2c(c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c1)OCC2 ZINC000415011200 514400183 /nfs/dbraw/zinc/40/01/83/514400183.db2.gz QMSUYOUQFIBVKE-JKSUJKDBSA-N 1 3 351.288 2.862 20 0 FFADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3ccc(C(=O)OC)o3)CC2)CC1 ZINC000420972935 514411556 /nfs/dbraw/zinc/41/15/56/514411556.db2.gz BPAOWOAHPXXQDB-MRXNPFEDSA-N 1 3 363.502 2.619 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3ccc(C(=O)OC)o3)CC2)CC1 ZINC000420972935 514411564 /nfs/dbraw/zinc/41/15/64/514411564.db2.gz BPAOWOAHPXXQDB-MRXNPFEDSA-N 1 3 363.502 2.619 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@H](C)c3ccc(C(=O)OC)o3)CC2)CC1 ZINC000420972935 514411572 /nfs/dbraw/zinc/41/15/72/514411572.db2.gz BPAOWOAHPXXQDB-MRXNPFEDSA-N 1 3 363.502 2.619 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000420984082 514421885 /nfs/dbraw/zinc/42/18/85/514421885.db2.gz SELHBURVJFWRSZ-UHFFFAOYSA-N 1 3 361.505 2.891 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000420984082 514421889 /nfs/dbraw/zinc/42/18/89/514421889.db2.gz SELHBURVJFWRSZ-UHFFFAOYSA-N 1 3 361.505 2.891 20 0 FFADHO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415065606 514424194 /nfs/dbraw/zinc/42/41/94/514424194.db2.gz GQTNLQYMTBROJH-UHFFFAOYSA-N 1 3 364.559 2.917 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCCC[NH2+]C1CC1 ZINC000415069524 514427965 /nfs/dbraw/zinc/42/79/65/514427965.db2.gz OTVIZOKQGAIALH-LBPRGKRZSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCNC1CC1 ZINC000415069524 514427974 /nfs/dbraw/zinc/42/79/74/514427974.db2.gz OTVIZOKQGAIALH-LBPRGKRZSA-N 1 3 354.292 2.898 20 0 FFADHO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415069186 514428013 /nfs/dbraw/zinc/42/80/13/514428013.db2.gz OHOKFXHSLJFPOC-IBGZPJMESA-N 1 3 364.559 2.773 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417623805 514439915 /nfs/dbraw/zinc/43/99/15/514439915.db2.gz JKNGTYLFAZNXME-INIZCTEOSA-N 1 3 356.580 2.555 20 0 FFADHO CN1CC[C@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[C@H]1c1ccccc1 ZINC000445220871 514445791 /nfs/dbraw/zinc/44/57/91/514445791.db2.gz VSDHSABVJVQPNW-RBUKOAKNSA-N 1 3 358.530 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)NCC[N@H+]2CCCC(C)(C)C2)[C@H]1c1ccccc1 ZINC000445220871 514445799 /nfs/dbraw/zinc/44/57/99/514445799.db2.gz VSDHSABVJVQPNW-RBUKOAKNSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)CCOc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415125441 514453515 /nfs/dbraw/zinc/45/35/15/514453515.db2.gz LFDSFRPHERWHCE-LJQANCHMSA-N 1 3 357.502 2.999 20 0 FFADHO CCOCc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415124724 514453615 /nfs/dbraw/zinc/45/36/15/514453615.db2.gz NEVCUHRTNOTNJK-FPOVZHCZSA-N 1 3 362.514 2.950 20 0 FFADHO Cc1ccn2c(CNCC3([NH3+])CCN(Cc4ccccc4)CC3)cnc2c1 ZINC000415133177 514460951 /nfs/dbraw/zinc/46/09/51/514460951.db2.gz MQFWIRJRKXIJRF-UHFFFAOYSA-N 1 3 363.509 2.726 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000439095260 514492486 /nfs/dbraw/zinc/49/24/86/514492486.db2.gz KBBPIDFPXGEKKX-UIFIKXQLSA-N 1 3 373.541 2.731 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433570001 514517042 /nfs/dbraw/zinc/51/70/42/514517042.db2.gz UMHNYTFIFMYLOS-HKUYNNGSSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433570001 514517049 /nfs/dbraw/zinc/51/70/49/514517049.db2.gz UMHNYTFIFMYLOS-HKUYNNGSSA-N 1 3 350.551 2.957 20 0 FFADHO CCc1ccc(CCNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000465998079 514536097 /nfs/dbraw/zinc/53/60/97/514536097.db2.gz MCZRQEAWLUOBAU-NRFANRHFSA-N 1 3 374.573 2.849 20 0 FFADHO CCc1ccc(CCNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000465998079 514536102 /nfs/dbraw/zinc/53/61/02/514536102.db2.gz MCZRQEAWLUOBAU-NRFANRHFSA-N 1 3 374.573 2.849 20 0 FFADHO O[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)COCC1CC1 ZINC000453089803 514540859 /nfs/dbraw/zinc/54/08/59/514540859.db2.gz OZWRPTZNLZNFDQ-CIAFKFPVSA-N 1 3 358.526 2.807 20 0 FFADHO O[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)COCC1CC1 ZINC000453089803 514540866 /nfs/dbraw/zinc/54/08/66/514540866.db2.gz OZWRPTZNLZNFDQ-CIAFKFPVSA-N 1 3 358.526 2.807 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000455499400 514560024 /nfs/dbraw/zinc/56/00/24/514560024.db2.gz BZAZDCFRPBBWSD-LJQANCHMSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466140505 514566419 /nfs/dbraw/zinc/56/64/19/514566419.db2.gz MGQFPRXZWZWNJT-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466140505 514566420 /nfs/dbraw/zinc/56/64/20/514566420.db2.gz MGQFPRXZWZWNJT-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO COCC[C@@H]1CCCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475131222 514566593 /nfs/dbraw/zinc/56/65/93/514566593.db2.gz YYXLBRMARAMCAD-ICSRJNTNSA-N 1 3 361.530 2.544 20 0 FFADHO COCC[C@@H]1CCCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475131222 514566599 /nfs/dbraw/zinc/56/65/99/514566599.db2.gz YYXLBRMARAMCAD-ICSRJNTNSA-N 1 3 361.530 2.544 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000466151092 514567188 /nfs/dbraw/zinc/56/71/88/514567188.db2.gz YOPUMCVVYBSEED-MJGOQNOKSA-N 1 3 362.562 2.957 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475161281 514575989 /nfs/dbraw/zinc/57/59/89/514575989.db2.gz FVHLDTJMEFIMQR-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475161281 514575996 /nfs/dbraw/zinc/57/59/96/514575996.db2.gz FVHLDTJMEFIMQR-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO OCCCN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453264217 514582742 /nfs/dbraw/zinc/58/27/42/514582742.db2.gz MHHRXOLSCYNLAO-LRSLUSHPSA-N 1 3 357.542 2.618 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466226509 514583451 /nfs/dbraw/zinc/58/34/51/514583451.db2.gz ONQVBXNZLFINLE-UWJYYQICSA-N 1 3 370.541 2.741 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000458157084 514589768 /nfs/dbraw/zinc/58/97/68/514589768.db2.gz CEPPCFXSMDMTRO-HKUYNNGSSA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000458157084 514589775 /nfs/dbraw/zinc/58/97/75/514589775.db2.gz CEPPCFXSMDMTRO-HKUYNNGSSA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000458158054 514590314 /nfs/dbraw/zinc/59/03/14/514590314.db2.gz DHACHHDCLSVXQD-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000458158054 514590324 /nfs/dbraw/zinc/59/03/24/514590324.db2.gz DHACHHDCLSVXQD-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000453371847 514612399 /nfs/dbraw/zinc/61/23/99/514612399.db2.gz YJECVEILWUMCSR-DJPFJPOOSA-N 1 3 372.513 2.931 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461445483 514618752 /nfs/dbraw/zinc/61/87/52/514618752.db2.gz RWPZXBRQLYEFFN-FSSWDIPSSA-N 1 3 367.537 2.841 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461445483 514618761 /nfs/dbraw/zinc/61/87/61/514618761.db2.gz RWPZXBRQLYEFFN-FSSWDIPSSA-N 1 3 367.537 2.841 20 0 FFADHO CC1CCN(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000461447698 514621406 /nfs/dbraw/zinc/62/14/06/514621406.db2.gz OWTAYOLODINMNV-NHCUHLMSSA-N 1 3 355.526 2.699 20 0 FFADHO CC1CCN(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000461447698 514621415 /nfs/dbraw/zinc/62/14/15/514621415.db2.gz OWTAYOLODINMNV-NHCUHLMSSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000453412117 514622277 /nfs/dbraw/zinc/62/22/77/514622277.db2.gz XSMPMLYCWNSAED-QRFRQXIXSA-N 1 3 372.513 2.931 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000497835247 514654470 /nfs/dbraw/zinc/65/44/70/514654470.db2.gz DZOQEEJUSGRGFT-HQRMLTQVSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000497835247 514654480 /nfs/dbraw/zinc/65/44/80/514654480.db2.gz DZOQEEJUSGRGFT-HQRMLTQVSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000470892423 514660840 /nfs/dbraw/zinc/66/08/40/514660840.db2.gz MGBKZHBPQCKODG-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000470892423 514660850 /nfs/dbraw/zinc/66/08/50/514660850.db2.gz MGBKZHBPQCKODG-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(OCCN(C)C)cc1 ZINC000484467578 514661674 /nfs/dbraw/zinc/66/16/74/514661674.db2.gz ARLYQEIVKHMYJX-APWZRJJASA-N 1 3 351.560 2.715 20 0 FFADHO C[C@@H](CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000489055033 514687624 /nfs/dbraw/zinc/68/76/24/514687624.db2.gz QSDMVPUDOXLXJB-UWJYYQICSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000489055033 514687628 /nfs/dbraw/zinc/68/76/28/514687628.db2.gz QSDMVPUDOXLXJB-UWJYYQICSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccc([C@@H]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)c(C)c1 ZINC000470990603 514709140 /nfs/dbraw/zinc/70/91/40/514709140.db2.gz ATRBQHZWLGBHJV-GOSISDBHSA-N 1 3 355.526 2.836 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)N(C)Cc1ccccc1 ZINC000458364986 514737100 /nfs/dbraw/zinc/73/71/00/514737100.db2.gz BIKQIFGYFOACEP-GHTZIAJQSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)N(C)Cc1ccccc1 ZINC000458364986 514737111 /nfs/dbraw/zinc/73/71/11/514737111.db2.gz BIKQIFGYFOACEP-GHTZIAJQSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000498105491 514762876 /nfs/dbraw/zinc/76/28/76/514762876.db2.gz BNUXABLONHOFDR-ZCNNSNEGSA-N 1 3 358.530 2.805 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484732599 514773176 /nfs/dbraw/zinc/77/31/76/514773176.db2.gz DNMUFCJKAGMISH-IHPCNDPISA-N 1 3 358.530 2.996 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484732599 514773181 /nfs/dbraw/zinc/77/31/81/514773181.db2.gz DNMUFCJKAGMISH-IHPCNDPISA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)N1CCc2ccccc2C1 ZINC000498141298 514775399 /nfs/dbraw/zinc/77/53/99/514775399.db2.gz HTGFQRNZXOEPFF-HMXCVIKNSA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)N1CCc2ccccc2C1 ZINC000498141298 514775407 /nfs/dbraw/zinc/77/54/07/514775407.db2.gz HTGFQRNZXOEPFF-HMXCVIKNSA-N 1 3 370.541 2.559 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466928328 514829921 /nfs/dbraw/zinc/82/99/21/514829921.db2.gz BRXAIZBIKYZOSZ-APWZRJJASA-N 1 3 350.551 2.623 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466928328 514829933 /nfs/dbraw/zinc/82/99/33/514829933.db2.gz BRXAIZBIKYZOSZ-APWZRJJASA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000462016099 514831603 /nfs/dbraw/zinc/83/16/03/514831603.db2.gz RYOSYJKRSSDAMK-WMLDXEAASA-N 1 3 354.926 2.971 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000462016099 514831612 /nfs/dbraw/zinc/83/16/12/514831612.db2.gz RYOSYJKRSSDAMK-WMLDXEAASA-N 1 3 354.926 2.971 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000471379243 514857038 /nfs/dbraw/zinc/85/70/38/514857038.db2.gz FTYHVVCJFJCLDI-IBGZPJMESA-N 1 3 355.526 2.769 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484968822 514858903 /nfs/dbraw/zinc/85/89/03/514858903.db2.gz FTQZHFGIYYGBAY-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484968822 514858909 /nfs/dbraw/zinc/85/89/09/514858909.db2.gz FTQZHFGIYYGBAY-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489525177 514880941 /nfs/dbraw/zinc/88/09/41/514880941.db2.gz CBUFYZDUFBOYAS-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489525177 514880951 /nfs/dbraw/zinc/88/09/51/514880951.db2.gz CBUFYZDUFBOYAS-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)N1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000476012259 514882539 /nfs/dbraw/zinc/88/25/39/514882539.db2.gz ODPJHRSPOUDEFB-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO CN(CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000476038435 514893092 /nfs/dbraw/zinc/89/30/92/514893092.db2.gz FPOOGWKTBBGWKM-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO CN(CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000476038435 514893102 /nfs/dbraw/zinc/89/31/02/514893102.db2.gz FPOOGWKTBBGWKM-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000508867888 514927780 /nfs/dbraw/zinc/92/77/80/514927780.db2.gz UFRKMLOWWQMLMZ-QGZVKYPTSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462214521 514942989 /nfs/dbraw/zinc/94/29/89/514942989.db2.gz NLBBEMXTLVHEBR-LMNJBCLMSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000462214521 514942997 /nfs/dbraw/zinc/94/29/97/514942997.db2.gz NLBBEMXTLVHEBR-LMNJBCLMSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000462218259 514945588 /nfs/dbraw/zinc/94/55/88/514945588.db2.gz GNLDNLBYZKQDIN-LMMKCTJWSA-N 1 3 360.546 2.782 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458634911 514975568 /nfs/dbraw/zinc/97/55/68/514975568.db2.gz QJGXQMCPZMJNNN-RCCFBDPRSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458634911 514975579 /nfs/dbraw/zinc/97/55/79/514975579.db2.gz QJGXQMCPZMJNNN-RCCFBDPRSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cccc(OCCN(C)C)c1 ZINC000480532051 514989888 /nfs/dbraw/zinc/98/98/88/514989888.db2.gz UPVRYAVOOSBZBT-INIZCTEOSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@]1(C[NH3+])CCN(CCCOc2cccc(I)c2)C1 ZINC000509043469 515000771 /nfs/dbraw/zinc/00/07/71/515000771.db2.gz IRKVBVUMDOEFPN-OAHLLOKOSA-N 1 3 374.266 2.731 20 0 FFADHO C[C@]1(CN)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000509043469 515000776 /nfs/dbraw/zinc/00/07/76/515000776.db2.gz IRKVBVUMDOEFPN-OAHLLOKOSA-N 1 3 374.266 2.731 20 0 FFADHO C[C@]1(CN)CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000509043469 515000783 /nfs/dbraw/zinc/00/07/83/515000783.db2.gz IRKVBVUMDOEFPN-OAHLLOKOSA-N 1 3 374.266 2.731 20 0 FFADHO C[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498704597 515031374 /nfs/dbraw/zinc/03/13/74/515031374.db2.gz BBTVXPUQEFEKRB-BJLQDIEVSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498704597 515031380 /nfs/dbraw/zinc/03/13/80/515031380.db2.gz BBTVXPUQEFEKRB-BJLQDIEVSA-N 1 3 358.530 2.633 20 0 FFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000489961314 515049099 /nfs/dbraw/zinc/04/90/99/515049099.db2.gz YLXSDJPPDUEUHT-OAHLLOKOSA-N 1 3 354.292 2.981 20 0 FFADHO C[C@H](CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000489978848 515056095 /nfs/dbraw/zinc/05/60/95/515056095.db2.gz GFBPSTZIUUYOPI-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccco1 ZINC000458767950 515077726 /nfs/dbraw/zinc/07/77/26/515077726.db2.gz LVUORJBWXXMIIM-SOLBZPMBSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccco1 ZINC000458767950 515077734 /nfs/dbraw/zinc/07/77/34/515077734.db2.gz LVUORJBWXXMIIM-SOLBZPMBSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1ccco1 ZINC000458767950 515077741 /nfs/dbraw/zinc/07/77/41/515077741.db2.gz LVUORJBWXXMIIM-SOLBZPMBSA-N 1 3 362.518 2.835 20 0 FFADHO CSC1(CNC(=O)N2CCN(CCC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC000462507978 515093666 /nfs/dbraw/zinc/09/36/66/515093666.db2.gz BLOGHYIYICFLHB-UHFFFAOYSA-N 1 3 370.607 2.577 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC000458851918 515143715 /nfs/dbraw/zinc/14/37/15/515143715.db2.gz NAOSTFJYIFZYEX-UHFFFAOYSA-N 1 3 350.551 2.912 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490263869 515160135 /nfs/dbraw/zinc/16/01/35/515160135.db2.gz WDLZTZKLUTTXAM-MANSERQUSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490263870 515160711 /nfs/dbraw/zinc/16/07/11/515160711.db2.gz WDLZTZKLUTTXAM-OKYOBFRVSA-N 1 3 350.551 2.623 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCN3CCC4(CCCCC4)CC3)C2)C1 ZINC000490294877 515167927 /nfs/dbraw/zinc/16/79/27/515167927.db2.gz XRSWGZPYKYGMTJ-OAQYLSRUSA-N 1 3 362.562 2.770 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NCCN3CCC4(CCCCC4)CC3)C2)C1 ZINC000490294877 515167937 /nfs/dbraw/zinc/16/79/37/515167937.db2.gz XRSWGZPYKYGMTJ-OAQYLSRUSA-N 1 3 362.562 2.770 20 0 FFADHO C[C@H]1C[C@H](CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCO1 ZINC000490397886 515197869 /nfs/dbraw/zinc/19/78/69/515197869.db2.gz FUIJAQJJPPQKPJ-RBUKOAKNSA-N 1 3 361.530 2.564 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000499126511 515211939 /nfs/dbraw/zinc/21/19/39/515211939.db2.gz WVMDVDKILWTUDN-BTHPGYMESA-N 1 3 358.530 2.821 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccco1 ZINC000476847425 515218001 /nfs/dbraw/zinc/21/80/01/515218001.db2.gz RLXREYGXMIMJAQ-IAGOWNOFSA-N 1 3 350.507 2.884 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccco1 ZINC000499211040 515239985 /nfs/dbraw/zinc/23/99/85/515239985.db2.gz MEBCDBUQPCMEKE-OKZBNKHCSA-N 1 3 364.534 2.986 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000499211040 515239991 /nfs/dbraw/zinc/23/99/91/515239991.db2.gz MEBCDBUQPCMEKE-OKZBNKHCSA-N 1 3 364.534 2.986 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccco1 ZINC000509575709 515240498 /nfs/dbraw/zinc/24/04/98/515240498.db2.gz XSVONQNACDKJRA-FJIDUMEYSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccco1 ZINC000509575709 515240509 /nfs/dbraw/zinc/24/05/09/515240509.db2.gz XSVONQNACDKJRA-FJIDUMEYSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccco1 ZINC000509575708 515240585 /nfs/dbraw/zinc/24/05/85/515240585.db2.gz XSVONQNACDKJRA-BSDSXHPESA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccco1 ZINC000509575708 515240591 /nfs/dbraw/zinc/24/05/91/515240591.db2.gz XSVONQNACDKJRA-BSDSXHPESA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccco1 ZINC000509583348 515243433 /nfs/dbraw/zinc/24/34/33/515243433.db2.gz JUWHFMRDLVUUAH-DOTOQJQBSA-N 1 3 350.507 2.692 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000504295209 515264495 /nfs/dbraw/zinc/26/44/95/515264495.db2.gz HYEJYFVUHQIAJY-XUVXKRRUSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000504295209 515264502 /nfs/dbraw/zinc/26/45/02/515264502.db2.gz HYEJYFVUHQIAJY-XUVXKRRUSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000476960211 515266918 /nfs/dbraw/zinc/26/69/18/515266918.db2.gz IYZFPROTVNRTFQ-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000468287584 515298402 /nfs/dbraw/zinc/29/84/02/515298402.db2.gz RDEFNXIGYDEMTE-MRXNPFEDSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000468287584 515298410 /nfs/dbraw/zinc/29/84/10/515298410.db2.gz RDEFNXIGYDEMTE-MRXNPFEDSA-N 1 3 369.912 2.896 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCN1C ZINC000477041859 515299386 /nfs/dbraw/zinc/29/93/86/515299386.db2.gz GTDVUUGYJDTGAC-UXPWSPDFSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCN1C ZINC000477041859 515299392 /nfs/dbraw/zinc/29/93/92/515299392.db2.gz GTDVUUGYJDTGAC-UXPWSPDFSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@]1(CNC(=O)NCCC[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000490903249 515331310 /nfs/dbraw/zinc/33/13/10/515331310.db2.gz WJCMMSWIUVMTHV-OAQYLSRUSA-N 1 3 358.530 2.826 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000463016661 515335424 /nfs/dbraw/zinc/33/54/24/515335424.db2.gz UYGALHCZDSTRPW-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)(CNC(=O)NCCC[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000504738222 515366359 /nfs/dbraw/zinc/36/63/59/515366359.db2.gz VEKHNECINNPQEX-UHFFFAOYSA-N 1 3 372.557 2.999 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000481786082 515466607 /nfs/dbraw/zinc/46/66/07/515466607.db2.gz RNGXANXHYXOSQZ-IBGZPJMESA-N 1 3 370.607 2.577 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000481786082 515466615 /nfs/dbraw/zinc/46/66/15/515466615.db2.gz RNGXANXHYXOSQZ-IBGZPJMESA-N 1 3 370.607 2.577 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)CC2)CC1 ZINC000454454725 515502650 /nfs/dbraw/zinc/50/26/50/515502650.db2.gz MNTMLPYITUBGHT-HBCLNWRISA-N 1 3 374.573 2.623 20 0 FFADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000454465349 515509662 /nfs/dbraw/zinc/50/96/62/515509662.db2.gz XAMRIKQOSJSJIM-LJQANCHMSA-N 1 3 350.551 2.813 20 0 FFADHO COCC[N@H+](C)CC[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000468819064 515534030 /nfs/dbraw/zinc/53/40/30/515534030.db2.gz DVWRALTYVXWPCZ-WSTZPKSXSA-N 1 3 361.530 2.685 20 0 FFADHO COCC[N@@H+](C)CC[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000468819064 515534038 /nfs/dbraw/zinc/53/40/38/515534038.db2.gz DVWRALTYVXWPCZ-WSTZPKSXSA-N 1 3 361.530 2.685 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000454519235 515547667 /nfs/dbraw/zinc/54/76/67/515547667.db2.gz OATDSJLFXHMJJI-OAQYLSRUSA-N 1 3 370.541 2.967 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)Cc1ccccc1 ZINC000510554905 515585508 /nfs/dbraw/zinc/58/55/08/515585508.db2.gz ULQVBXUEDDWHSF-NQIIRXRSSA-N 1 3 372.557 2.889 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cncc2ccccc21 ZINC000505766988 515663938 /nfs/dbraw/zinc/66/39/38/515663938.db2.gz RLFOFXYCAOQDPV-GOSISDBHSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cncc2ccccc21 ZINC000505766988 515663948 /nfs/dbraw/zinc/66/39/48/515663948.db2.gz RLFOFXYCAOQDPV-GOSISDBHSA-N 1 3 354.498 2.723 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000482494303 515695345 /nfs/dbraw/zinc/69/53/45/515695345.db2.gz JEOOKAIFCPGWMS-JKSUJKDBSA-N 1 3 367.509 2.767 20 0 FFADHO CC(C)N1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000500482009 515733265 /nfs/dbraw/zinc/73/32/65/515733265.db2.gz CKPSNWSWUBPXKQ-RBSFLKMASA-N 1 3 363.468 2.884 20 0 FFADHO CC(C)N1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000500482009 515733267 /nfs/dbraw/zinc/73/32/67/515733267.db2.gz CKPSNWSWUBPXKQ-RBSFLKMASA-N 1 3 363.468 2.884 20 0 FFADHO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000473971790 515825913 /nfs/dbraw/zinc/82/59/13/515825913.db2.gz WJFXWXPHLKZBGY-XEVCZEQESA-N 1 3 356.514 2.577 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)c1 ZINC000457385598 515841256 /nfs/dbraw/zinc/84/12/56/515841256.db2.gz VEHLBLBKAXKCMD-UHFFFAOYSA-N 1 3 366.509 2.913 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000501004479 515934819 /nfs/dbraw/zinc/93/48/19/515934819.db2.gz AKPFKZJMLKBIKF-HBMCJLEFSA-N 1 3 350.595 2.740 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000501004479 515934807 /nfs/dbraw/zinc/93/48/07/515934807.db2.gz AKPFKZJMLKBIKF-HBMCJLEFSA-N 1 3 350.595 2.740 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000506654477 515945683 /nfs/dbraw/zinc/94/56/83/515945683.db2.gz PLMIOQVRBXPVFP-ZVDOUQERSA-N 1 3 358.530 2.797 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000506654477 515945695 /nfs/dbraw/zinc/94/56/95/515945695.db2.gz PLMIOQVRBXPVFP-ZVDOUQERSA-N 1 3 358.530 2.797 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)C2CN(C3CCCCC3)C2)CC1 ZINC000457544957 515959277 /nfs/dbraw/zinc/95/92/77/515959277.db2.gz VKUFIXPRUVWVKL-UHFFFAOYSA-N 1 3 359.518 2.743 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CN1Cc1ccccc1 ZINC000474296471 515977261 /nfs/dbraw/zinc/97/72/61/515977261.db2.gz WPJLGAPSFWAWJA-VGOFRKELSA-N 1 3 363.505 2.768 20 0 FFADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)C[NH+]1CCCCC1 ZINC000511644643 515978264 /nfs/dbraw/zinc/97/82/64/515978264.db2.gz PESOBLGDQVFIRH-QGZVFWFLSA-N 1 3 362.518 2.871 20 0 FFADHO C[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000474329846 515996477 /nfs/dbraw/zinc/99/64/77/515996477.db2.gz KPYJZZSOAZKYTM-KKXNLOMOSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487913443 516031946 /nfs/dbraw/zinc/03/19/46/516031946.db2.gz JKXKTTWTKBEGOQ-REHHDOPLSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487913443 516031958 /nfs/dbraw/zinc/03/19/58/516031958.db2.gz JKXKTTWTKBEGOQ-REHHDOPLSA-N 1 3 370.541 2.679 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479062324 516042340 /nfs/dbraw/zinc/04/23/40/516042340.db2.gz OVTRPFKQBKVXTQ-INIZCTEOSA-N 1 3 353.304 2.873 20 0 FFADHO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000495072707 516055954 /nfs/dbraw/zinc/05/59/54/516055954.db2.gz FWAVAPZZUCPTGX-HXUWFJFHSA-N 1 3 373.541 2.705 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)C2)C1 ZINC000457682881 516066447 /nfs/dbraw/zinc/06/64/47/516066447.db2.gz CPYGQTOXVMRJIO-QUCCMNQESA-N 1 3 350.551 2.624 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000457700969 516079339 /nfs/dbraw/zinc/07/93/39/516079339.db2.gz UOQOBIUTYAADJW-RTWAWAEBSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000457700969 516079348 /nfs/dbraw/zinc/07/93/48/516079348.db2.gz UOQOBIUTYAADJW-RTWAWAEBSA-N 1 3 372.557 2.947 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000457727455 516099599 /nfs/dbraw/zinc/09/95/99/516099599.db2.gz BLQGLWGYTBEEOR-VQTJNVASSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000457727455 516099609 /nfs/dbraw/zinc/09/96/09/516099609.db2.gz BLQGLWGYTBEEOR-VQTJNVASSA-N 1 3 358.530 2.948 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000457734126 516105909 /nfs/dbraw/zinc/10/59/09/516105909.db2.gz FSDBMFGAGZNMEC-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CCN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000479201891 516106450 /nfs/dbraw/zinc/10/64/50/516106450.db2.gz NHNNEMPTJUFJSB-DOTOQJQBSA-N 1 3 372.538 2.942 20 0 FFADHO CC(C)C[C@H](NC/C=C\c1ccc(F)c(F)c1)C(=O)NCC[NH+](C)C ZINC000512009234 516113753 /nfs/dbraw/zinc/11/37/53/516113753.db2.gz SKWQEKXKOSSUDI-XFHJGTJQSA-N 1 3 353.457 2.660 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000465443987 516156366 /nfs/dbraw/zinc/15/63/66/516156366.db2.gz CPBXRMUCPSJILA-NCXUSEDFSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000465443987 516156373 /nfs/dbraw/zinc/15/63/73/516156373.db2.gz CPBXRMUCPSJILA-NCXUSEDFSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000479355091 516162624 /nfs/dbraw/zinc/16/26/24/516162624.db2.gz VZOOWCOFYAHTMR-GJYPPUQNSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000479355091 516162633 /nfs/dbraw/zinc/16/26/33/516162633.db2.gz VZOOWCOFYAHTMR-GJYPPUQNSA-N 1 3 364.509 2.848 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000465531122 516180708 /nfs/dbraw/zinc/18/07/08/516180708.db2.gz WTKNCKYPILYUEG-WMQCIHAUSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000465531122 516180720 /nfs/dbraw/zinc/18/07/20/516180720.db2.gz WTKNCKYPILYUEG-WMQCIHAUSA-N 1 3 372.557 2.947 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000483729963 516191653 /nfs/dbraw/zinc/19/16/53/516191653.db2.gz QOUSEEIYJRKMHP-UGKGYDQZSA-N 1 3 373.585 2.812 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000488495502 516240636 /nfs/dbraw/zinc/24/06/36/516240636.db2.gz PJBCGZQYGBMVJY-APWZRJJASA-N 1 3 364.509 2.848 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)cc1 ZINC000488514343 516247736 /nfs/dbraw/zinc/24/77/36/516247736.db2.gz IVQDAWXOJDKAIG-ZWKOTPCHSA-N 1 3 363.571 2.988 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C2)C1 ZINC000488545116 516255900 /nfs/dbraw/zinc/25/59/00/516255900.db2.gz ONEFWFXGBMNDFW-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C2)C1 ZINC000488545116 516255906 /nfs/dbraw/zinc/25/59/06/516255906.db2.gz ONEFWFXGBMNDFW-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000512427397 516274762 /nfs/dbraw/zinc/27/47/62/516274762.db2.gz SSGBWWYVVGONGJ-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000512427397 516274769 /nfs/dbraw/zinc/27/47/69/516274769.db2.gz SSGBWWYVVGONGJ-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000465881496 516279334 /nfs/dbraw/zinc/27/93/34/516279334.db2.gz UEZCTFWRBABRFN-DSKINZAPSA-N 1 3 372.557 2.977 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000465881496 516279339 /nfs/dbraw/zinc/27/93/39/516279339.db2.gz UEZCTFWRBABRFN-DSKINZAPSA-N 1 3 372.557 2.977 20 0 FFADHO C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)CC1CCN(c2ccncc2)CC1 ZINC000512449674 516283122 /nfs/dbraw/zinc/28/31/22/516283122.db2.gz JZLPQLOLKOMUFN-UHFFFAOYSA-N 1 3 366.465 2.761 20 0 FFADHO C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)CC1CCN(c2ccncc2)CC1 ZINC000512449674 516283127 /nfs/dbraw/zinc/28/31/27/516283127.db2.gz JZLPQLOLKOMUFN-UHFFFAOYSA-N 1 3 366.465 2.761 20 0 FFADHO C[C@]1(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCC[NH2+]C1 ZINC000497331106 516308621 /nfs/dbraw/zinc/30/86/21/516308621.db2.gz HMQNSMHXYCCQAX-VXKWHMMOSA-N 1 3 355.526 2.891 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000497508913 516324737 /nfs/dbraw/zinc/32/47/37/516324737.db2.gz LJYLRDJGHNDCSW-LJQANCHMSA-N 1 3 361.530 2.550 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000497508913 516324738 /nfs/dbraw/zinc/32/47/38/516324738.db2.gz LJYLRDJGHNDCSW-LJQANCHMSA-N 1 3 361.530 2.550 20 0 FFADHO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)[C@H]1c1ccccc1 ZINC000561060078 516358935 /nfs/dbraw/zinc/35/89/35/516358935.db2.gz CMKCJXLMFGRNKC-AZUAARDMSA-N 1 3 366.465 2.736 20 0 FFADHO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)[C@H]1c1ccccc1 ZINC000561060078 516358944 /nfs/dbraw/zinc/35/89/44/516358944.db2.gz CMKCJXLMFGRNKC-AZUAARDMSA-N 1 3 366.465 2.736 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000523002991 516369844 /nfs/dbraw/zinc/36/98/44/516369844.db2.gz COWZTHOHOXPUFB-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(Br)cn1 ZINC000517626348 516387919 /nfs/dbraw/zinc/38/79/19/516387919.db2.gz CVFOCBUPKPCMHH-KRWDZBQOSA-N 1 3 369.351 2.692 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(Br)cn1 ZINC000517626348 516387924 /nfs/dbraw/zinc/38/79/24/516387924.db2.gz CVFOCBUPKPCMHH-KRWDZBQOSA-N 1 3 369.351 2.692 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000517627750 516389042 /nfs/dbraw/zinc/38/90/42/516389042.db2.gz WSTCYEGNVVUSMP-XLIONFOSSA-N 1 3 360.546 2.531 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000561151810 516409689 /nfs/dbraw/zinc/40/96/89/516409689.db2.gz WZTVPIDUOWPIFO-CVEARBPZSA-N 1 3 364.559 2.729 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000523337912 516441128 /nfs/dbraw/zinc/44/11/28/516441128.db2.gz AMJMFLVHBDUDJP-HBFSDRIKSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000523337912 516441136 /nfs/dbraw/zinc/44/11/36/516441136.db2.gz AMJMFLVHBDUDJP-HBFSDRIKSA-N 1 3 358.530 2.530 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000523346165 516445491 /nfs/dbraw/zinc/44/54/91/516445491.db2.gz CWIQCPZMTXILBV-OAQYLSRUSA-N 1 3 372.557 2.579 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000523346165 516445499 /nfs/dbraw/zinc/44/54/99/516445499.db2.gz CWIQCPZMTXILBV-OAQYLSRUSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000561202034 516447072 /nfs/dbraw/zinc/44/70/72/516447072.db2.gz QKAHWAABHASRFP-NXLVEIQXSA-N 1 3 370.541 2.728 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535700340 516455642 /nfs/dbraw/zinc/45/56/42/516455642.db2.gz NEVYJGDFVVILSJ-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535700340 516455651 /nfs/dbraw/zinc/45/56/51/516455651.db2.gz NEVYJGDFVVILSJ-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3nccn3C)cc2)C[C@@H]1C ZINC000540323953 516511508 /nfs/dbraw/zinc/51/15/08/516511508.db2.gz PGLZTYDKLYTMAE-ROUUACIJSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)OCCNC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528711581 516637159 /nfs/dbraw/zinc/63/71/59/516637159.db2.gz BYDNSJDEOHCPPN-DOTOQJQBSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)OCCNC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528711581 516637166 /nfs/dbraw/zinc/63/71/66/516637166.db2.gz BYDNSJDEOHCPPN-DOTOQJQBSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000558287832 516679860 /nfs/dbraw/zinc/67/98/60/516679860.db2.gz QMOPMPXNZONXNM-AEFFLSMTSA-N 1 3 360.502 2.718 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000544293639 516682885 /nfs/dbraw/zinc/68/28/85/516682885.db2.gz UJTKMSGVWCACFA-IAGOWNOFSA-N 1 3 372.623 2.822 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000544293639 516682893 /nfs/dbraw/zinc/68/28/93/516682893.db2.gz UJTKMSGVWCACFA-IAGOWNOFSA-N 1 3 372.623 2.822 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518592790 516715214 /nfs/dbraw/zinc/71/52/14/516715214.db2.gz KXRUHYYBZOGNOP-OAQYLSRUSA-N 1 3 370.541 2.705 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000513820777 516768690 /nfs/dbraw/zinc/76/86/90/516768690.db2.gz WDWIBKAQKAXDBZ-UHFFFAOYSA-N 1 3 374.573 2.674 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CCC[N@@H+](C(C)C)C3)c2cc1C ZINC000518964002 516833593 /nfs/dbraw/zinc/83/35/93/516833593.db2.gz WGOTZCCYPYQLIM-RBUKOAKNSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CCC[N@H+](C(C)C)C3)c2cc1C ZINC000518964002 516833601 /nfs/dbraw/zinc/83/36/01/516833601.db2.gz WGOTZCCYPYQLIM-RBUKOAKNSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@@H]3CCCN(C(C)C)C3)c2cc1C ZINC000518964002 516833609 /nfs/dbraw/zinc/83/36/09/516833609.db2.gz WGOTZCCYPYQLIM-RBUKOAKNSA-N 1 3 358.530 2.724 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccs1 ZINC000561971004 516855198 /nfs/dbraw/zinc/85/51/98/516855198.db2.gz VALUFKFHVZBNTA-KRWDZBQOSA-N 1 3 361.559 2.986 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccs1 ZINC000561971004 516855204 /nfs/dbraw/zinc/85/52/04/516855204.db2.gz VALUFKFHVZBNTA-KRWDZBQOSA-N 1 3 361.559 2.986 20 0 FFADHO CNC(=O)c1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000532202750 516856945 /nfs/dbraw/zinc/85/69/45/516856945.db2.gz XXOBHWGNWODSSF-MRXNPFEDSA-N 1 3 355.482 2.837 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000524935253 516871742 /nfs/dbraw/zinc/87/17/42/516871742.db2.gz YZDJBDSOVIBUNI-PMACEKPBSA-N 1 3 360.546 2.848 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000519151281 516903985 /nfs/dbraw/zinc/90/39/85/516903985.db2.gz OQFJKVGIBBTION-UEXGIBASSA-N 1 3 358.530 2.810 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000525290434 516996506 /nfs/dbraw/zinc/99/65/06/516996506.db2.gz YMUCMKXWZGVAHT-GOSISDBHSA-N 1 3 366.937 2.898 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000525290434 516996516 /nfs/dbraw/zinc/99/65/16/516996516.db2.gz YMUCMKXWZGVAHT-GOSISDBHSA-N 1 3 366.937 2.898 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000532485094 516998427 /nfs/dbraw/zinc/99/84/27/516998427.db2.gz ROLLEKQXPLCYRE-UKRRQHHQSA-N 1 3 353.894 2.587 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532590034 517050135 /nfs/dbraw/zinc/05/01/35/517050135.db2.gz OWWIKNNQOARLJK-RTWAWAEBSA-N 1 3 372.557 2.778 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532590034 517050146 /nfs/dbraw/zinc/05/01/46/517050146.db2.gz OWWIKNNQOARLJK-RTWAWAEBSA-N 1 3 372.557 2.778 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCCS2(=O)=O)CC1 ZINC000552065726 517059244 /nfs/dbraw/zinc/05/92/44/517059244.db2.gz LQFJYFDCPZQNGV-SOAGJPPSSA-N 1 3 364.555 2.987 20 0 FFADHO CC1=CCN(CCNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000545152911 517073402 /nfs/dbraw/zinc/07/34/02/517073402.db2.gz BGPBQNMSSWFIIG-SFHVURJKSA-N 1 3 371.529 2.558 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](CO)Cc2ccco2)CC1 ZINC000532674714 517090784 /nfs/dbraw/zinc/09/07/84/517090784.db2.gz AIBNNVPQLGWDKT-LJQANCHMSA-N 1 3 371.525 2.752 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529362020 517101989 /nfs/dbraw/zinc/10/19/89/517101989.db2.gz RHTMFKWANGORLT-MJGOQNOKSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCN1 ZINC000529388623 517119050 /nfs/dbraw/zinc/11/90/50/517119050.db2.gz SENMBQWDUBQGMY-XHDPSFHLSA-N 1 3 359.301 2.599 20 0 FFADHO CC1CCN([C@H](CNC(=O)N(C)C2CC([NH3+])C2)c2cccs2)CC1 ZINC000519693294 517130385 /nfs/dbraw/zinc/13/03/85/517130385.db2.gz GJMQLDBGNRLPQY-UYSNPLJNSA-N 1 3 350.532 2.652 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000562494237 517143586 /nfs/dbraw/zinc/14/35/86/517143586.db2.gz BLYSBNJAQOTNBI-KRWDZBQOSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000519837791 517212710 /nfs/dbraw/zinc/21/27/10/517212710.db2.gz CAQQQVQFZXBIHI-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CCN2C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000529714120 517304802 /nfs/dbraw/zinc/30/48/02/517304802.db2.gz DEKRIDLAOPABJY-HBMCJLEFSA-N 1 3 355.526 2.855 20 0 FFADHO C[N@H+]1C[C@H](C(=O)NC[C@@H]2CCN2C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000529714120 517304812 /nfs/dbraw/zinc/30/48/12/517304812.db2.gz DEKRIDLAOPABJY-HBMCJLEFSA-N 1 3 355.526 2.855 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1N1CCCC1 ZINC000520251763 517318082 /nfs/dbraw/zinc/31/80/82/517318082.db2.gz MBCARDOGJSDHKN-SLFFLAALSA-N 1 3 373.566 2.547 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1N1CCCC1 ZINC000520251763 517318094 /nfs/dbraw/zinc/31/80/94/517318094.db2.gz MBCARDOGJSDHKN-SLFFLAALSA-N 1 3 373.566 2.547 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000537778474 517339790 /nfs/dbraw/zinc/33/97/90/517339790.db2.gz MJKDHPJATORIGE-MJGOQNOKSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000537778474 517339799 /nfs/dbraw/zinc/33/97/99/517339799.db2.gz MJKDHPJATORIGE-MJGOQNOKSA-N 1 3 373.545 2.812 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000542025819 517345844 /nfs/dbraw/zinc/34/58/44/517345844.db2.gz KRADJTCGEKVSQQ-LJQANCHMSA-N 1 3 373.545 2.840 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000542025819 517345854 /nfs/dbraw/zinc/34/58/54/517345854.db2.gz KRADJTCGEKVSQQ-LJQANCHMSA-N 1 3 373.545 2.840 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CC1 ZINC000515463629 517360824 /nfs/dbraw/zinc/36/08/24/517360824.db2.gz FEQSBNWWVDWUEZ-YQQQUEKLSA-N 1 3 371.529 2.575 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000515463629 517360833 /nfs/dbraw/zinc/36/08/33/517360833.db2.gz FEQSBNWWVDWUEZ-YQQQUEKLSA-N 1 3 371.529 2.575 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000545858522 517395986 /nfs/dbraw/zinc/39/59/86/517395986.db2.gz BCQMFUVKBQLFHH-ICSRJNTNSA-N 1 3 356.514 2.601 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000545858522 517395990 /nfs/dbraw/zinc/39/59/90/517395990.db2.gz BCQMFUVKBQLFHH-ICSRJNTNSA-N 1 3 356.514 2.601 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000552812114 517401782 /nfs/dbraw/zinc/40/17/82/517401782.db2.gz QVWQWSSHAAIGLO-UHFFFAOYSA-N 1 3 363.461 2.668 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000537962090 517418037 /nfs/dbraw/zinc/41/80/37/517418037.db2.gz KQLAJXKDHFESFR-IWMITWMQSA-N 1 3 371.525 2.990 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000515619364 517424872 /nfs/dbraw/zinc/42/48/72/517424872.db2.gz XTARXBMIXKRFOC-VFORCBIJSA-N 1 3 362.543 2.700 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000520547951 517431757 /nfs/dbraw/zinc/43/17/57/517431757.db2.gz YQLBVSFONGHOBZ-HKUYNNGSSA-N 1 3 358.530 2.586 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000520546124 517431867 /nfs/dbraw/zinc/43/18/67/517431867.db2.gz LQHYYZOUWJYTFA-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000542256139 517466185 /nfs/dbraw/zinc/46/61/85/517466185.db2.gz JITIQIUXPYSMPF-MRXNPFEDSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000553005613 517473984 /nfs/dbraw/zinc/47/39/84/517473984.db2.gz UUXPKIVYLUHXSF-UHFFFAOYSA-N 1 3 369.509 2.661 20 0 FFADHO Cc1ccc(NC(=O)CC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000559973626 517513697 /nfs/dbraw/zinc/51/36/97/517513697.db2.gz KIWANACHYATIOP-ROUUACIJSA-N 1 3 374.529 2.540 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cc3cccs3)CC2)CC1 ZINC000553095366 517520423 /nfs/dbraw/zinc/52/04/23/517520423.db2.gz SONRYIQBAMNZJK-INIZCTEOSA-N 1 3 363.571 2.992 20 0 FFADHO OC[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000562958495 517532328 /nfs/dbraw/zinc/53/23/28/517532328.db2.gz KAALGJDMBDTXDO-CZTZKLFOSA-N 1 3 352.478 2.683 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553145142 517542986 /nfs/dbraw/zinc/54/29/86/517542986.db2.gz BMNWGWOBMIGOBB-WOJBJXKFSA-N 1 3 373.566 2.595 20 0 FFADHO CN(C(=O)[C@]1(c2ccccc2)CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000562976755 517549473 /nfs/dbraw/zinc/54/94/73/517549473.db2.gz XZGZNQHRRVVJOH-FYYLOGMGSA-N 1 3 363.505 2.651 20 0 FFADHO C[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)N1CCC(Cc2ccccc2)CC1 ZINC000516062633 517553190 /nfs/dbraw/zinc/55/31/90/517553190.db2.gz FEOVMDFFCSCAOE-RXVVDRJESA-N 1 3 357.542 2.978 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1cc(Cl)ccc1Cl ZINC000562984729 517557070 /nfs/dbraw/zinc/55/70/70/517557070.db2.gz IHVNYXBXNJJHCB-OAHLLOKOSA-N 1 3 359.297 2.950 20 0 FFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000527223196 517572388 /nfs/dbraw/zinc/57/23/88/517572388.db2.gz SAXKEFUOLXUEEI-MSOLQXFVSA-N 1 3 363.546 2.813 20 0 FFADHO CC(C)(CNC[C@@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000563002300 517572693 /nfs/dbraw/zinc/57/26/93/517572693.db2.gz GJSBTTYDCDSQRZ-GOSISDBHSA-N 1 3 354.922 2.929 20 0 FFADHO CC(C)(C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)CN1CCCC1 ZINC000563002300 517572696 /nfs/dbraw/zinc/57/26/96/517572696.db2.gz GJSBTTYDCDSQRZ-GOSISDBHSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN3CCC2CC3)C1 ZINC000560093690 517576218 /nfs/dbraw/zinc/57/62/18/517576218.db2.gz BFTNVVQAIPRIGT-SFHVURJKSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN3CCC2CC3)C1 ZINC000560093690 517576224 /nfs/dbraw/zinc/57/62/24/517576224.db2.gz BFTNVVQAIPRIGT-SFHVURJKSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1=CCN(C)CC1 ZINC000563013986 517583820 /nfs/dbraw/zinc/58/38/20/517583820.db2.gz OECSOHDCWSHNGN-IUODEOHRSA-N 1 3 359.297 2.973 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000563068810 517633146 /nfs/dbraw/zinc/63/31/46/517633146.db2.gz QEQASLVEZYLBBH-OALUTQOASA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000563068810 517633158 /nfs/dbraw/zinc/63/31/58/517633158.db2.gz QEQASLVEZYLBBH-OALUTQOASA-N 1 3 367.578 2.702 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521161967 517633156 /nfs/dbraw/zinc/63/31/56/517633156.db2.gz FBLAMESBOUIWMR-OTWHNJEPSA-N 1 3 352.567 2.918 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521161967 517633166 /nfs/dbraw/zinc/63/31/66/517633166.db2.gz FBLAMESBOUIWMR-OTWHNJEPSA-N 1 3 352.567 2.918 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521161962 517634005 /nfs/dbraw/zinc/63/40/05/517634005.db2.gz FBLAMESBOUIWMR-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521161962 517634010 /nfs/dbraw/zinc/63/40/10/517634010.db2.gz FBLAMESBOUIWMR-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248108 517653420 /nfs/dbraw/zinc/65/34/20/517653420.db2.gz GAUYQUCFCZCZAY-FQEVSTJZSA-N 1 3 354.498 2.976 20 0 FFADHO c1nc(-c2ccncc2)sc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249002 517653899 /nfs/dbraw/zinc/65/38/99/517653899.db2.gz SHPSAIUOBYXACV-QGZVFWFLSA-N 1 3 358.511 2.796 20 0 FFADHO CCc1nc(C)c([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000538546443 517664830 /nfs/dbraw/zinc/66/48/30/517664830.db2.gz KLPLEIGYRONEOJ-HIFRSBDPSA-N 1 3 354.564 2.757 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000538686996 517725212 /nfs/dbraw/zinc/72/52/12/517725212.db2.gz JUAVXEHANXSQEH-ICSRJNTNSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cn[nH]c1 ZINC000560355778 517727903 /nfs/dbraw/zinc/72/79/03/517727903.db2.gz OVQGOUARNITBHB-YLJYHZDGSA-N 1 3 354.498 2.989 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC000516579303 517753626 /nfs/dbraw/zinc/75/36/26/517753626.db2.gz NUURVDOUNVGNAW-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC(CC[NH3+])CC2)[C@H]1c1cccs1 ZINC000563271183 517782722 /nfs/dbraw/zinc/78/27/22/517782722.db2.gz KPEVNAPZIICKRA-AEFFLSMTSA-N 1 3 364.559 2.901 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000521698023 517831359 /nfs/dbraw/zinc/83/13/59/517831359.db2.gz NGMKUQQEZDMIKT-NSHGMRRFSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000521698023 517831371 /nfs/dbraw/zinc/83/13/71/517831371.db2.gz NGMKUQQEZDMIKT-NSHGMRRFSA-N 1 3 360.546 2.721 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1)CC1CC1 ZINC000538910093 517838562 /nfs/dbraw/zinc/83/85/62/517838562.db2.gz MMVXYXNWRJJLRM-IBGZPJMESA-N 1 3 362.562 2.767 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1)CC1CC1 ZINC000538910093 517838569 /nfs/dbraw/zinc/83/85/69/517838569.db2.gz MMVXYXNWRJJLRM-IBGZPJMESA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527720944 517871032 /nfs/dbraw/zinc/87/10/32/517871032.db2.gz KWJFHVVTOLBMJA-NQERJWCQSA-N 1 3 355.526 2.908 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000563424761 517898402 /nfs/dbraw/zinc/89/84/02/517898402.db2.gz NAXMJITUQTYMSB-KCPJHIHWSA-N 1 3 359.283 2.599 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000546923348 517923270 /nfs/dbraw/zinc/92/32/70/517923270.db2.gz VPBJTCOLGMDJND-KRWDZBQOSA-N 1 3 360.546 2.761 20 0 FFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000517028396 517986093 /nfs/dbraw/zinc/98/60/93/517986093.db2.gz DWJHZVGEEIGPFA-QUCCMNQESA-N 1 3 359.514 2.685 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(C)cc3)CC2)CC1 ZINC000517040327 517993164 /nfs/dbraw/zinc/99/31/64/517993164.db2.gz PCOGCIWYDMPKMQ-UHFFFAOYSA-N 1 3 357.542 2.850 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000517139885 518036794 /nfs/dbraw/zinc/03/67/94/518036794.db2.gz LFSCPFFHQIIFKT-FQEVSTJZSA-N 1 3 352.482 2.782 20 0 FFADHO C[C@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C[C@@H]1C[NH3+] ZINC000563693380 518073909 /nfs/dbraw/zinc/07/39/09/518073909.db2.gz WNYRAFQCCFGGGR-PXNSSMCTSA-N 1 3 358.530 2.799 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C12CCC2 ZINC000539495127 518076227 /nfs/dbraw/zinc/07/62/27/518076227.db2.gz FKQRSQRPZOPSJX-UXHICEINSA-N 1 3 358.530 2.531 20 0 FFADHO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000522338113 518081606 /nfs/dbraw/zinc/08/16/06/518081606.db2.gz REWBGGDRPJZLNJ-UHFFFAOYSA-N 1 3 362.518 2.759 20 0 FFADHO CN1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000560963732 518097807 /nfs/dbraw/zinc/09/78/07/518097807.db2.gz MARFODJNODTSCY-IBGZPJMESA-N 1 3 373.545 2.558 20 0 FFADHO CN1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000560963732 518097818 /nfs/dbraw/zinc/09/78/18/518097818.db2.gz MARFODJNODTSCY-IBGZPJMESA-N 1 3 373.545 2.558 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H]3CCN3C3CCCCC3)C2)CC1 ZINC000528150837 518122204 /nfs/dbraw/zinc/12/22/04/518122204.db2.gz UEEUEUOKSJCSKZ-AZUAARDMSA-N 1 3 362.562 2.767 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000528289724 518166347 /nfs/dbraw/zinc/16/63/47/518166347.db2.gz UGBSIITYHPKZTQ-FQEVSTJZSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000528289724 518166349 /nfs/dbraw/zinc/16/63/49/518166349.db2.gz UGBSIITYHPKZTQ-FQEVSTJZSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CN(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C[C@@]1(C)C[NH3+] ZINC000569678070 518235046 /nfs/dbraw/zinc/23/50/46/518235046.db2.gz PZPNFKJKIGJXRO-QIJUGHKUSA-N 1 3 370.541 2.621 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000563964959 518251292 /nfs/dbraw/zinc/25/12/92/518251292.db2.gz QSXAMQPGIIABLA-GHTZIAJQSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000563964959 518251298 /nfs/dbraw/zinc/25/12/98/518251298.db2.gz QSXAMQPGIIABLA-GHTZIAJQSA-N 1 3 370.541 2.919 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000569752765 518272173 /nfs/dbraw/zinc/27/21/73/518272173.db2.gz KVDKYOIDVACVQO-GOSISDBHSA-N 1 3 360.546 2.854 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000569752765 518272179 /nfs/dbraw/zinc/27/21/79/518272179.db2.gz KVDKYOIDVACVQO-GOSISDBHSA-N 1 3 360.546 2.854 20 0 FFADHO C[NH+](C)CCCCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000564036270 518277401 /nfs/dbraw/zinc/27/74/01/518277401.db2.gz RYBPCSRQOQCJGW-UHFFFAOYSA-N 1 3 365.493 2.517 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)N2CCCC2)cc1 ZINC000578623550 518298114 /nfs/dbraw/zinc/29/81/14/518298114.db2.gz VGBZWQSRCMOAEX-ICSRJNTNSA-N 1 3 358.530 2.902 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000569802292 518298998 /nfs/dbraw/zinc/29/89/98/518298998.db2.gz NMGSEJGZAJAPAP-GAFUQQFSSA-N 1 3 366.815 2.508 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccccc3CC[NH3+])c(C)c2)CC1 ZINC000584390925 518315791 /nfs/dbraw/zinc/31/57/91/518315791.db2.gz QQEKFXKYUZNNKW-UHFFFAOYSA-N 1 3 366.509 2.890 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C(F)F)CC3)CC2)CC1 ZINC000575879157 518325288 /nfs/dbraw/zinc/32/52/88/518325288.db2.gz LLRKDVZXUAWBQL-UHFFFAOYSA-N 1 3 357.489 2.686 20 0 FFADHO CSc1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000572714088 518325559 /nfs/dbraw/zinc/32/55/59/518325559.db2.gz YGJGZDILQQBWSG-IAGOWNOFSA-N 1 3 352.544 2.860 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1C ZINC000572763831 518350119 /nfs/dbraw/zinc/35/01/19/518350119.db2.gz CRWHRGQCOSHQKL-IJXRJRJASA-N 1 3 361.505 2.549 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000575973521 518369415 /nfs/dbraw/zinc/36/94/15/518369415.db2.gz XVLXPNKYAAQWFG-JYBIWHBTSA-N 1 3 358.530 2.584 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000575985934 518373813 /nfs/dbraw/zinc/37/38/13/518373813.db2.gz HBBRHXCQSMFSNA-FQEVSTJZSA-N 1 3 356.514 2.661 20 0 FFADHO C[C@H](OC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160575 518381743 /nfs/dbraw/zinc/38/17/43/518381743.db2.gz OUJIVCNRCWGEIB-QMTMVMCOSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@H](OC[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160575 518381751 /nfs/dbraw/zinc/38/17/51/518381751.db2.gz OUJIVCNRCWGEIB-QMTMVMCOSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@H](OC[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160575 518381759 /nfs/dbraw/zinc/38/17/59/518381759.db2.gz OUJIVCNRCWGEIB-QMTMVMCOSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C[C@@]1(C)C[NH3+] ZINC000578849708 518402497 /nfs/dbraw/zinc/40/24/97/518402497.db2.gz LBJJCXDHKQFGOA-FXRXJOCMSA-N 1 3 364.559 2.757 20 0 FFADHO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000572891400 518409163 /nfs/dbraw/zinc/40/91/63/518409163.db2.gz ANRBDIXIFREDQG-WMQCIHAUSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578892968 518424874 /nfs/dbraw/zinc/42/48/74/518424874.db2.gz JJASKRANEQNANB-MELADBBJSA-N 1 3 366.303 2.708 20 0 FFADHO OC1(CN2CCCC3(CCC[N@H+](CC4(O)CCCC4)C3)C2)CCCC1 ZINC000564393349 518430632 /nfs/dbraw/zinc/43/06/32/518430632.db2.gz NVSPWKFPAOUTCB-UHFFFAOYSA-N 1 3 350.547 2.775 20 0 FFADHO OC1(CN2CCCC3(CCC[N@@H+](CC4(O)CCCC4)C3)C2)CCCC1 ZINC000564393349 518430640 /nfs/dbraw/zinc/43/06/40/518430640.db2.gz NVSPWKFPAOUTCB-UHFFFAOYSA-N 1 3 350.547 2.775 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000578997031 518474684 /nfs/dbraw/zinc/47/46/84/518474684.db2.gz CBKKYVCFVUYPLY-KRWDZBQOSA-N 1 3 367.331 2.916 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000578997031 518474691 /nfs/dbraw/zinc/47/46/91/518474691.db2.gz CBKKYVCFVUYPLY-KRWDZBQOSA-N 1 3 367.331 2.916 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N2CCCC2)cc1 ZINC000584829238 518497278 /nfs/dbraw/zinc/49/72/78/518497278.db2.gz LVOXNDYYDBDBTA-YLJYHZDGSA-N 1 3 358.530 2.901 20 0 FFADHO O=C([C@@H]1CNCc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000573089834 518503442 /nfs/dbraw/zinc/50/34/42/518503442.db2.gz SMFRNYQARFZXFS-KSEOMHKRSA-N 1 3 361.489 2.606 20 0 FFADHO O=C([C@@H]1CNCc2ccccc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000573089834 518503447 /nfs/dbraw/zinc/50/34/47/518503447.db2.gz SMFRNYQARFZXFS-KSEOMHKRSA-N 1 3 361.489 2.606 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3c4ccccc4O[C@@H]3C)CC2)CC1 ZINC000581953652 518519298 /nfs/dbraw/zinc/51/92/98/518519298.db2.gz VKFPKOKIXYUQCY-IERDGZPVSA-N 1 3 371.525 2.821 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H](C)CN1 ZINC000564640971 518540079 /nfs/dbraw/zinc/54/00/79/518540079.db2.gz LZZKFMXAEXPWFA-IRXDYDNUSA-N 1 3 360.502 2.765 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000573296435 518595936 /nfs/dbraw/zinc/59/59/36/518595936.db2.gz DLQTVDXDUMUKSF-CVEARBPZSA-N 1 3 352.548 2.913 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000573296435 518595943 /nfs/dbraw/zinc/59/59/43/518595943.db2.gz DLQTVDXDUMUKSF-CVEARBPZSA-N 1 3 352.548 2.913 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000573346604 518622146 /nfs/dbraw/zinc/62/21/46/518622146.db2.gz SBUZOSWYEDSMCV-TXQGORRRSA-N 1 3 350.551 2.656 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@@H](O)CC(F)(F)F)CC2)c1 ZINC000567679407 518649106 /nfs/dbraw/zinc/64/91/06/518649106.db2.gz VXIYWWLHBDSZIW-SFHVURJKSA-N 1 3 373.463 2.800 20 0 FFADHO CN1CCC(C[NH2+]C[C@@H](O)CCc2ccccc2)(N2CCCCC2)CC1 ZINC000582237050 518653782 /nfs/dbraw/zinc/65/37/82/518653782.db2.gz ZVOPVCQHMZSJDV-NRFANRHFSA-N 1 3 359.558 2.520 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000570542009 518658786 /nfs/dbraw/zinc/65/87/86/518658786.db2.gz KDWACMDLWKIOJE-KCZVDYSFSA-N 1 3 358.574 2.655 20 0 FFADHO O=C(COc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000576576058 518659566 /nfs/dbraw/zinc/65/95/66/518659566.db2.gz DMLCETUYNRCFOB-ZIBCJSCZSA-N 1 3 371.525 2.567 20 0 FFADHO CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000582296740 518686468 /nfs/dbraw/zinc/68/64/68/518686468.db2.gz UOKOYDQTDMKYQQ-QZTJIDSGSA-N 1 3 350.503 2.535 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1)C1C[NH2+]C1 ZINC000567788323 518711588 /nfs/dbraw/zinc/71/15/88/518711588.db2.gz MKSNXPSZZFUVAA-MRXNPFEDSA-N 1 3 351.494 2.887 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C(C)C)cc1 ZINC000564988364 518732643 /nfs/dbraw/zinc/73/26/43/518732643.db2.gz GBCUOHWYUJWZEY-CNNODRBYSA-N 1 3 373.541 2.830 20 0 FFADHO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccccc1CN(C)C ZINC000564991853 518733674 /nfs/dbraw/zinc/73/36/74/518733674.db2.gz PBGCMPPGTNOMCN-INIZCTEOSA-N 1 3 372.538 2.765 20 0 FFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000565047873 518761254 /nfs/dbraw/zinc/76/12/54/518761254.db2.gz XOYPYEDZVAEIPV-FKBYEOEOSA-N 1 3 353.510 2.518 20 0 FFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000565047873 518761260 /nfs/dbraw/zinc/76/12/60/518761260.db2.gz XOYPYEDZVAEIPV-FKBYEOEOSA-N 1 3 353.510 2.518 20 0 FFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000565047873 518761268 /nfs/dbraw/zinc/76/12/68/518761268.db2.gz XOYPYEDZVAEIPV-FKBYEOEOSA-N 1 3 353.510 2.518 20 0 FFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1)C(C)C ZINC000588304192 518773835 /nfs/dbraw/zinc/77/38/35/518773835.db2.gz DTFLQZPRGPDLNI-UHFFFAOYSA-N 1 3 352.498 2.629 20 0 FFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1)C(C)C ZINC000588304192 518773841 /nfs/dbraw/zinc/77/38/41/518773841.db2.gz DTFLQZPRGPDLNI-UHFFFAOYSA-N 1 3 352.498 2.629 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H](c1ccccc1)[NH+](C)C ZINC000573666446 518775633 /nfs/dbraw/zinc/77/56/33/518775633.db2.gz GNLCBJLPADXIAF-QRWLVFNGSA-N 1 3 368.481 2.982 20 0 FFADHO C[C@@]1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCN(Cc2ccccc2)C1 ZINC000570848241 518809140 /nfs/dbraw/zinc/80/91/40/518809140.db2.gz HDPXMLRXIXSUKR-JOCHJYFZSA-N 1 3 370.541 2.825 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](C[C@H](CN)c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990604 518818826 /nfs/dbraw/zinc/81/88/26/518818826.db2.gz MRNJLALSJADJGW-RDJZCZTQSA-N 1 3 373.463 2.944 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](C[C@H](CN)c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990604 518818831 /nfs/dbraw/zinc/81/88/31/518818831.db2.gz MRNJLALSJADJGW-RDJZCZTQSA-N 1 3 373.463 2.944 20 0 FFADHO CCN(C[C@@H]1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1)CC(F)(F)F ZINC000567990604 518818837 /nfs/dbraw/zinc/81/88/37/518818837.db2.gz MRNJLALSJADJGW-RDJZCZTQSA-N 1 3 373.463 2.944 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cnn(C)c1 ZINC000579861510 518892310 /nfs/dbraw/zinc/89/23/10/518892310.db2.gz VPMBURZDSCWGKI-WIYYLYMNSA-N 1 3 368.525 3.000 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC1 ZINC000573904920 518892939 /nfs/dbraw/zinc/89/29/39/518892939.db2.gz NZKCPHKUGGQFGK-QILLFSRXSA-N 1 3 364.559 2.900 20 0 FFADHO CCN(CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000582802854 518929791 /nfs/dbraw/zinc/92/97/91/518929791.db2.gz HOJGJEXANJPZRR-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO CCN(CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000582802854 518929799 /nfs/dbraw/zinc/92/97/99/518929799.db2.gz HOJGJEXANJPZRR-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO COc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccn1 ZINC000568238392 518944155 /nfs/dbraw/zinc/94/41/55/518944155.db2.gz UDYRQMUTOOKVGQ-QGZVFWFLSA-N 1 3 354.498 2.688 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000577194594 518960279 /nfs/dbraw/zinc/96/02/79/518960279.db2.gz IHXROTJYFHMUKZ-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000571179779 518966690 /nfs/dbraw/zinc/96/66/90/518966690.db2.gz AGFQCWVHWYKMQG-UYAOXDASSA-N 1 3 355.482 2.962 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000571184017 518968280 /nfs/dbraw/zinc/96/82/80/518968280.db2.gz URGLCMVWRAWFCF-NRFANRHFSA-N 1 3 370.541 2.827 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000582894345 518973394 /nfs/dbraw/zinc/97/33/94/518973394.db2.gz OVSBCMXESKJGLU-NCYKPQTJSA-N 1 3 370.541 2.819 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000565479179 518976242 /nfs/dbraw/zinc/97/62/42/518976242.db2.gz NSSKLLANXIBYLU-UHFFFAOYSA-N 1 3 366.509 2.951 20 0 FFADHO CS(=O)(=O)Nc1cccc(CNCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000589638774 519050855 /nfs/dbraw/zinc/05/08/55/519050855.db2.gz BGVPYARLVIYXKT-UHFFFAOYSA-N 1 3 373.522 2.944 20 0 FFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565777520 519128416 /nfs/dbraw/zinc/12/84/16/519128416.db2.gz LDFQOQDXNQKNSK-BRWVUGGUSA-N 1 3 352.482 2.883 20 0 FFADHO N[C@H](CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000574384425 519128916 /nfs/dbraw/zinc/12/89/16/519128916.db2.gz GCYFCKHTSAHDEW-SESVDKBCSA-N 1 3 369.484 2.595 20 0 FFADHO CC(C)[NH+](CCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(C)C ZINC000577557221 519137698 /nfs/dbraw/zinc/13/76/98/519137698.db2.gz DIATUPQRVCUFRT-FQEVSTJZSA-N 1 3 360.546 2.919 20 0 FFADHO CCCOCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568632212 519140275 /nfs/dbraw/zinc/14/02/75/519140275.db2.gz LTNHJJYZSPQGKS-VQTJNVASSA-N 1 3 373.541 2.551 20 0 FFADHO C[C@@]1(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000571528288 519141175 /nfs/dbraw/zinc/14/11/75/519141175.db2.gz WWQCTCOUDMRUGA-SIKLNZKXSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@]1(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000571528288 519141181 /nfs/dbraw/zinc/14/11/81/519141181.db2.gz WWQCTCOUDMRUGA-SIKLNZKXSA-N 1 3 370.541 2.967 20 0 FFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000568728315 519184737 /nfs/dbraw/zinc/18/47/37/519184737.db2.gz OZLYMXDMCOEEKB-MSOLQXFVSA-N 1 3 358.511 2.923 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000583390474 519224361 /nfs/dbraw/zinc/22/43/61/519224361.db2.gz RWXMDCCDKAMTCU-LEWJYISDSA-N 1 3 373.516 2.994 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000577750244 519238488 /nfs/dbraw/zinc/23/84/88/519238488.db2.gz BCCMZLAJPWIBSS-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000571725134 519240080 /nfs/dbraw/zinc/24/00/80/519240080.db2.gz IELFBZZJNWCLRB-SFHVURJKSA-N 1 3 353.514 2.589 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000568878043 519263466 /nfs/dbraw/zinc/26/34/66/519263466.db2.gz KURNOUOEXPYNEU-PXNSSMCTSA-N 1 3 366.509 2.683 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000571770786 519267822 /nfs/dbraw/zinc/26/78/22/519267822.db2.gz HOJSUIXRSBMFJL-SJLPKXTDSA-N 1 3 358.511 2.923 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000571777318 519272303 /nfs/dbraw/zinc/27/23/03/519272303.db2.gz HUOCKJYPLQSWER-KRWDZBQOSA-N 1 3 358.530 2.901 20 0 FFADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000577841530 519284580 /nfs/dbraw/zinc/28/45/80/519284580.db2.gz VGXLAWWQAFDTJX-GOSISDBHSA-N 1 3 353.466 2.759 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cccc(C)c3)CC2)CC1 ZINC000577848160 519288328 /nfs/dbraw/zinc/28/83/28/519288328.db2.gz ZUUKVHYIFZBQCV-UHFFFAOYSA-N 1 3 357.542 2.850 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)c1ccccc1Br)C1CC1 ZINC000566114083 519309133 /nfs/dbraw/zinc/30/91/33/519309133.db2.gz ACFVRQDCOYCXRB-AWEZNQCLSA-N 1 3 355.320 2.771 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC(C)(C)c1ccccc1Br)C1CC1 ZINC000566114083 519309125 /nfs/dbraw/zinc/30/91/25/519309125.db2.gz ACFVRQDCOYCXRB-AWEZNQCLSA-N 1 3 355.320 2.771 20 0 FFADHO CN(C)[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)Cc1ccccc1 ZINC000580723352 519324039 /nfs/dbraw/zinc/32/40/39/519324039.db2.gz XDDIVYCNDIIPIL-NRFANRHFSA-N 1 3 353.510 2.693 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000583626690 519347611 /nfs/dbraw/zinc/34/76/11/519347611.db2.gz CBQLEAUHCFVHIL-CZUORRHYSA-N 1 3 358.404 2.685 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)N(C)C)cc1 ZINC000574872650 519378188 /nfs/dbraw/zinc/37/81/88/519378188.db2.gz WARLKKAKJHWIJB-GMAHTHKFSA-N 1 3 365.521 2.899 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNCC[C@H](C)[NH+]3CCCCC3)c2cc1C ZINC000580829879 519382583 /nfs/dbraw/zinc/38/25/83/519382583.db2.gz XUSQMLGWZMNRFO-OALUTQOASA-N 1 3 358.530 2.868 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]CC[C@H](C)N3CCCCC3)c2cc1C ZINC000580829879 519382584 /nfs/dbraw/zinc/38/25/84/519382584.db2.gz XUSQMLGWZMNRFO-OALUTQOASA-N 1 3 358.530 2.868 20 0 FFADHO Cc1cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc(C)c1O ZINC000580860295 519394595 /nfs/dbraw/zinc/39/45/95/519394595.db2.gz XZXCXWUQLLIAPN-UHFFFAOYSA-N 1 3 354.498 2.706 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574906207 519397640 /nfs/dbraw/zinc/39/76/40/519397640.db2.gz FCVZMSZBPFMJFB-YESZJQIVSA-N 1 3 364.559 2.647 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000574975961 519433352 /nfs/dbraw/zinc/43/33/52/519433352.db2.gz SKNVPNHJGBOICT-ONIAQPFYSA-N 1 3 364.921 2.630 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000572220069 519501607 /nfs/dbraw/zinc/50/16/07/519501607.db2.gz WXCCLGUVPQYWBV-FXAWDEMLSA-N 1 3 373.545 2.731 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000572220069 519501615 /nfs/dbraw/zinc/50/16/15/519501615.db2.gz WXCCLGUVPQYWBV-FXAWDEMLSA-N 1 3 373.545 2.731 20 0 FFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@@H](O)Cc3ccc(F)cc3)cc2)CC1 ZINC000569353064 519507182 /nfs/dbraw/zinc/50/71/82/519507182.db2.gz HIHUSKABCASWEX-FQEVSTJZSA-N 1 3 372.484 2.992 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000583942619 519511200 /nfs/dbraw/zinc/51/12/00/519511200.db2.gz JSIBQZPAMBJULK-RTBURBONSA-N 1 3 364.530 2.804 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000583942619 519511204 /nfs/dbraw/zinc/51/12/04/519511204.db2.gz JSIBQZPAMBJULK-RTBURBONSA-N 1 3 364.530 2.804 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000575151983 519528609 /nfs/dbraw/zinc/52/86/09/519528609.db2.gz HMJGXAHYIMNHGW-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@H]21 ZINC000578359615 519554191 /nfs/dbraw/zinc/55/41/91/519554191.db2.gz IXFBUWKGCWVIFX-BASLNEPJSA-N 1 3 367.415 2.870 20 0 FFADHO C[NH+](C)CCOc1cccc(CNCCC(=O)Nc2cccc(F)c2)c1 ZINC000572356282 519572174 /nfs/dbraw/zinc/57/21/74/519572174.db2.gz DOIAWBWQQLDLDD-UHFFFAOYSA-N 1 3 359.445 2.885 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000591285700 519574916 /nfs/dbraw/zinc/57/49/16/519574916.db2.gz VTYHRDUIEQTJEW-UHFFFAOYSA-N 1 3 369.509 2.831 20 0 FFADHO CC(C)NCCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572392153 519591189 /nfs/dbraw/zinc/59/11/89/519591189.db2.gz SZUSSNGUVXYCIU-IAGOWNOFSA-N 1 3 357.498 2.962 20 0 FFADHO CC(C)[NH2+]CCCN[C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572392153 519591195 /nfs/dbraw/zinc/59/11/95/519591195.db2.gz SZUSSNGUVXYCIU-IAGOWNOFSA-N 1 3 357.498 2.962 20 0 FFADHO Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)ccc1C[NH+](C)C ZINC000616242409 519952552 /nfs/dbraw/zinc/95/25/52/519952552.db2.gz SHYZWMGEHPPWSF-HOTGVXAUSA-N 1 3 374.403 2.979 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000591579030 519958822 /nfs/dbraw/zinc/95/88/22/519958822.db2.gz NZSCBIYZZAWHGM-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000591579030 519958827 /nfs/dbraw/zinc/95/88/27/519958827.db2.gz NZSCBIYZZAWHGM-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000608423666 519972065 /nfs/dbraw/zinc/97/20/65/519972065.db2.gz MFPFZIRCMGECMV-FQEVSTJZSA-N 1 3 374.504 2.841 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000608437793 519979165 /nfs/dbraw/zinc/97/91/65/519979165.db2.gz PDJWPBUVRVHHCI-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000608437793 519979173 /nfs/dbraw/zinc/97/91/73/519979173.db2.gz PDJWPBUVRVHHCI-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000591759301 520026969 /nfs/dbraw/zinc/02/69/69/520026969.db2.gz LFDRTTVZPUDDGO-XSDIEEQYSA-N 1 3 374.525 2.581 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000612573821 520029370 /nfs/dbraw/zinc/02/93/70/520029370.db2.gz UNXQEULGHBXXEQ-IBGZPJMESA-N 1 3 372.557 2.944 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000612573821 520029378 /nfs/dbraw/zinc/02/93/78/520029378.db2.gz UNXQEULGHBXXEQ-IBGZPJMESA-N 1 3 372.557 2.944 20 0 FFADHO C[C@@H](C(=O)N(C)CC[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000600132465 520071033 /nfs/dbraw/zinc/07/10/33/520071033.db2.gz SJKKFESMDKUKNP-IBGZPJMESA-N 1 3 357.542 2.884 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000608685097 520081160 /nfs/dbraw/zinc/08/11/60/520081160.db2.gz HIZQYXQNQMPHLU-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000608685097 520081170 /nfs/dbraw/zinc/08/11/70/520081170.db2.gz HIZQYXQNQMPHLU-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000608704317 520090728 /nfs/dbraw/zinc/09/07/28/520090728.db2.gz LDFRHPROZBSRBC-UYAOXDASSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000608704317 520090734 /nfs/dbraw/zinc/09/07/34/520090734.db2.gz LDFRHPROZBSRBC-UYAOXDASSA-N 1 3 358.530 2.695 20 0 FFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000594950725 520226006 /nfs/dbraw/zinc/22/60/06/520226006.db2.gz DJZRQOFTQAOMGJ-IBGZPJMESA-N 1 3 362.562 2.959 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000595069815 520279088 /nfs/dbraw/zinc/27/90/88/520279088.db2.gz LDQHHXHXJRDMPK-SKNUGPPASA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000595069815 520279098 /nfs/dbraw/zinc/27/90/98/520279098.db2.gz LDQHHXHXJRDMPK-SKNUGPPASA-N 1 3 372.534 2.841 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1 ZINC000603518813 520293614 /nfs/dbraw/zinc/29/36/14/520293614.db2.gz KLZSHNVTKOLHQG-UHFFFAOYSA-N 1 3 370.472 2.985 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000600573552 520339635 /nfs/dbraw/zinc/33/96/35/520339635.db2.gz OZHDWFHQZVZQGD-IBGZPJMESA-N 1 3 359.514 2.716 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Nc2cccnc2)cc1 ZINC000617503545 520537536 /nfs/dbraw/zinc/53/75/36/520537536.db2.gz NZJXLUYINZLMHQ-KRWDZBQOSA-N 1 3 369.513 2.827 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Nc2cccnc2)cc1 ZINC000617503545 520537542 /nfs/dbraw/zinc/53/75/42/520537542.db2.gz NZJXLUYINZLMHQ-KRWDZBQOSA-N 1 3 369.513 2.827 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000617507422 520546175 /nfs/dbraw/zinc/54/61/75/520546175.db2.gz WCQPUJMUSMTGFH-IRXDYDNUSA-N 1 3 358.530 2.670 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000617507422 520546180 /nfs/dbraw/zinc/54/61/80/520546180.db2.gz WCQPUJMUSMTGFH-IRXDYDNUSA-N 1 3 358.530 2.670 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000604644084 520627371 /nfs/dbraw/zinc/62/73/71/520627371.db2.gz REZRWZFBZRGNKP-QWFCFKBJSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000604644084 520627378 /nfs/dbraw/zinc/62/73/78/520627378.db2.gz REZRWZFBZRGNKP-QWFCFKBJSA-N 1 3 358.530 2.805 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000604640560 520627395 /nfs/dbraw/zinc/62/73/95/520627395.db2.gz RIIURQPXNQERIN-XBMUEBEBSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+](C)C ZINC000617759299 520705676 /nfs/dbraw/zinc/70/56/76/520705676.db2.gz CVTHACLQRPKTGR-WBVHZDCISA-N 1 3 353.457 2.600 20 0 FFADHO COC(=O)c1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)n2c1CCCC2 ZINC000598672003 520778687 /nfs/dbraw/zinc/77/86/87/520778687.db2.gz JBQYRJDZDSBQGL-KRWDZBQOSA-N 1 3 359.514 2.775 20 0 FFADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606700537 521141643 /nfs/dbraw/zinc/14/16/43/521141643.db2.gz LVTRRJREHCFDFH-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000606703005 521144212 /nfs/dbraw/zinc/14/42/12/521144212.db2.gz JZYUQWXYRSHJDL-HFCFLWKCSA-N 1 3 350.551 2.623 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655702 521194776 /nfs/dbraw/zinc/19/47/76/521194776.db2.gz XKRVVKFCPWZKBP-DZGCQCFKSA-N 1 3 358.267 2.941 20 0 FFADHO CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596693960 521226407 /nfs/dbraw/zinc/22/64/07/521226407.db2.gz YVGCFEATNRGOMH-DLBZAZTESA-N 1 3 358.596 2.576 20 0 FFADHO CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596693960 521226414 /nfs/dbraw/zinc/22/64/14/521226414.db2.gz YVGCFEATNRGOMH-DLBZAZTESA-N 1 3 358.596 2.576 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000611678534 521275828 /nfs/dbraw/zinc/27/58/28/521275828.db2.gz DMOGLYRSQHWDBU-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000607234828 521301643 /nfs/dbraw/zinc/30/16/43/521301643.db2.gz PBRJDKZUYYNGOG-INIZCTEOSA-N 1 3 374.451 2.815 20 0 FFADHO CCOC(=O)c1cc(CNCC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000602521550 521393168 /nfs/dbraw/zinc/39/31/68/521393168.db2.gz PGZXEGJAWTVRJG-UHFFFAOYSA-N 1 3 357.454 2.853 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCN(C2CC2)C1 ZINC000615447444 521407959 /nfs/dbraw/zinc/40/79/59/521407959.db2.gz JURRDRMCDHWOKQ-GHTZIAJQSA-N 1 3 355.526 2.809 20 0 FFADHO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1 ZINC000602561988 521411972 /nfs/dbraw/zinc/41/19/72/521411972.db2.gz UNKLXCWEYUNAOQ-UHFFFAOYSA-N 1 3 362.514 2.967 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000607937095 521510889 /nfs/dbraw/zinc/51/08/89/521510889.db2.gz ZVNIRNGWPPXBEZ-NHCUHLMSSA-N 1 3 370.541 2.628 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)C[NH+]1CCCCC1 ZINC000615775747 521527030 /nfs/dbraw/zinc/52/70/30/521527030.db2.gz MIMSXHRENQJFGH-IBGZPJMESA-N 1 3 372.557 2.856 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000612303616 521568482 /nfs/dbraw/zinc/56/84/82/521568482.db2.gz JJXOFHOJOMYUEP-LMNJBCLMSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000612303616 521568492 /nfs/dbraw/zinc/56/84/92/521568492.db2.gz JJXOFHOJOMYUEP-LMNJBCLMSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000625944004 521800581 /nfs/dbraw/zinc/80/05/81/521800581.db2.gz CSDCDHYXMQRPFW-INIZCTEOSA-N 1 3 360.502 2.802 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000625944004 521800587 /nfs/dbraw/zinc/80/05/87/521800587.db2.gz CSDCDHYXMQRPFW-INIZCTEOSA-N 1 3 360.502 2.802 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000629417213 522201453 /nfs/dbraw/zinc/20/14/53/522201453.db2.gz ZMJAJNMABUJMMB-FQEVSTJZSA-N 1 3 373.541 2.783 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623694067 522221916 /nfs/dbraw/zinc/22/19/16/522221916.db2.gz XGVBCIJBNBNXCA-GIVPXCGWSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623694067 522221924 /nfs/dbraw/zinc/22/19/24/522221924.db2.gz XGVBCIJBNBNXCA-GIVPXCGWSA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000620550146 522289605 /nfs/dbraw/zinc/28/96/05/522289605.db2.gz IRZCAEBXBQOBJB-LJQANCHMSA-N 1 3 360.546 2.943 20 0 FFADHO [NH3+]C1(CN[C@@H](Cc2ccccc2Br)C2CC2)CCOCC1 ZINC000629520017 522297203 /nfs/dbraw/zinc/29/72/03/522297203.db2.gz JVAAQUXXIFFXIJ-INIZCTEOSA-N 1 3 353.304 2.868 20 0 FFADHO O=C1[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1ccc(Cl)cc1F ZINC000629531880 522298162 /nfs/dbraw/zinc/29/81/62/522298162.db2.gz BXHHRYNIWOXWDA-FAXLKDOZSA-N 1 3 351.853 2.562 20 0 FFADHO CN(c1ccccc1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCN(C)CC1 ZINC000629664677 522382778 /nfs/dbraw/zinc/38/27/78/522382778.db2.gz IYVLJPJTQVMREJ-SZPZYZBQSA-N 1 3 356.558 2.648 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCNC[C@H]1C(C)C)c1ccsc1 ZINC000626933923 522540050 /nfs/dbraw/zinc/54/00/50/522540050.db2.gz PYOHTRXQUWYCLT-DLBZAZTESA-N 1 3 352.548 2.770 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626978298 522568681 /nfs/dbraw/zinc/56/86/81/522568681.db2.gz BVPMBCUFZSBYBS-RBUKOAKNSA-N 1 3 356.514 2.797 20 0 FFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000630044924 522605794 /nfs/dbraw/zinc/60/57/94/522605794.db2.gz PCIVUAZUHFQDIA-LEWJYISDSA-N 1 3 361.530 2.532 20 0 FFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000630044924 522605804 /nfs/dbraw/zinc/60/58/04/522605804.db2.gz PCIVUAZUHFQDIA-LEWJYISDSA-N 1 3 361.530 2.532 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000627033656 522606710 /nfs/dbraw/zinc/60/67/10/522606710.db2.gz PLLWIUQOGOKFBG-IAOVAPTHSA-N 1 3 352.910 2.773 20 0 FFADHO O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C1CCC1 ZINC000624345234 522619821 /nfs/dbraw/zinc/61/98/21/522619821.db2.gz ZTTTVWOEZGLMOU-NRDMVMEKSA-N 1 3 353.510 2.925 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627649835 522987445 /nfs/dbraw/zinc/98/74/45/522987445.db2.gz NGKGFDCFAZPFDD-RBAQFSTRSA-N 1 3 371.525 2.572 20 0 FFADHO C[C@H](NC1(CNC(=O)CC[C@H]2CCC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000621649471 522996918 /nfs/dbraw/zinc/99/69/18/522996918.db2.gz JWKJRQOMMJLHNP-RBUKOAKNSA-N 1 3 373.541 2.782 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000636475578 523006890 /nfs/dbraw/zinc/00/68/90/523006890.db2.gz YDGVGPORWZKNNZ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000622101440 523267628 /nfs/dbraw/zinc/26/76/28/523267628.db2.gz KDAAAPYJSIOKNS-IBGZPJMESA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000622101440 523267638 /nfs/dbraw/zinc/26/76/38/523267638.db2.gz KDAAAPYJSIOKNS-IBGZPJMESA-N 1 3 360.546 2.675 20 0 FFADHO NS(=O)(=O)c1cc(CNCCCCC[NH+]2CCCCC2)ccc1Cl ZINC000631072204 523355857 /nfs/dbraw/zinc/35/58/57/523355857.db2.gz URPTWLXXPVZTGP-UHFFFAOYSA-N 1 3 373.950 2.733 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033319 523377082 /nfs/dbraw/zinc/37/70/82/523377082.db2.gz JKHIZESHCOTMOK-QKLQHJQFSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637033319 523377091 /nfs/dbraw/zinc/37/70/91/523377091.db2.gz JKHIZESHCOTMOK-QKLQHJQFSA-N 1 3 362.562 2.956 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000628461321 523561321 /nfs/dbraw/zinc/56/13/21/523561321.db2.gz UUWKXNVHQOWYKE-RBBKRZOGSA-N 1 3 357.542 2.813 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000628461321 523561325 /nfs/dbraw/zinc/56/13/25/523561325.db2.gz UUWKXNVHQOWYKE-RBBKRZOGSA-N 1 3 357.542 2.813 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797614 523694405 /nfs/dbraw/zinc/69/44/05/523694405.db2.gz WMOVQHWBOHHNFB-QZTJIDSGSA-N 1 3 367.331 2.743 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797614 523694411 /nfs/dbraw/zinc/69/44/11/523694411.db2.gz WMOVQHWBOHHNFB-QZTJIDSGSA-N 1 3 367.331 2.743 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)N3CCNC[C@H]3C(C)C)c(C)c2)CC1 ZINC000625834897 523710486 /nfs/dbraw/zinc/71/04/86/523710486.db2.gz LOWVCPREWVNJJY-FQEVSTJZSA-N 1 3 373.545 2.599 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000631664512 523742681 /nfs/dbraw/zinc/74/26/81/523742681.db2.gz OIJJKZVKLMIBQE-UZKOGDIHSA-N 1 3 357.542 2.597 20 0 FFADHO c1cc2c[nH+]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc2[nH]1 ZINC001164976421 722103843 /nfs/dbraw/zinc/10/38/43/722103843.db2.gz CXXHOQBBRBDYFM-ICSRJNTNSA-N 1 3 363.465 2.685 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063143009 728134102 /nfs/dbraw/zinc/13/41/02/728134102.db2.gz NYHKYCGZVIEGQL-UHFFFAOYSA-N 1 3 362.587 2.703 20 0 FFADHO O[C@@H](COc1ccccc1Cl)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193081120 729467583 /nfs/dbraw/zinc/46/75/83/729467583.db2.gz DOTYPWMIYYTZEU-QGZVFWFLSA-N 1 3 352.906 2.888 20 0 FFADHO CN(C)[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1Cl ZINC000638298938 730020088 /nfs/dbraw/zinc/02/00/88/730020088.db2.gz VOIVPRMXZWBEPO-SFHVURJKSA-N 1 3 353.938 2.768 20 0 FFADHO COc1ccc([C@@H](OC)[C@@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638855064 730048829 /nfs/dbraw/zinc/04/88/29/730048829.db2.gz TWDCGGNHESJOKO-BEFAXECRSA-N 1 3 350.503 2.596 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000644588690 730484920 /nfs/dbraw/zinc/48/49/20/730484920.db2.gz GMARKGRZEPGXMD-FUHWJXTLSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000644588690 730484922 /nfs/dbraw/zinc/48/49/22/730484922.db2.gz GMARKGRZEPGXMD-FUHWJXTLSA-N 1 3 354.922 2.785 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCc1ccc(F)c(F)c1F ZINC000644619675 730487964 /nfs/dbraw/zinc/48/79/64/730487964.db2.gz WQBBTKATWJDMCH-INIZCTEOSA-N 1 3 352.400 2.729 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCc1ccc(F)c(F)c1F ZINC000644619675 730487966 /nfs/dbraw/zinc/48/79/66/730487966.db2.gz WQBBTKATWJDMCH-INIZCTEOSA-N 1 3 352.400 2.729 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000644784123 730503362 /nfs/dbraw/zinc/50/33/62/730503362.db2.gz JTBZSOMJOCKEKH-SUMWQHHRSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000644784123 730503363 /nfs/dbraw/zinc/50/33/63/730503363.db2.gz JTBZSOMJOCKEKH-SUMWQHHRSA-N 1 3 359.297 2.761 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000645419958 730551657 /nfs/dbraw/zinc/55/16/57/730551657.db2.gz CLALWYMQXRIOFQ-GOSISDBHSA-N 1 3 365.543 2.564 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)[C@@H]1CC[N@H+](C)C1 ZINC000645499845 730564094 /nfs/dbraw/zinc/56/40/94/730564094.db2.gz DWZJMLILWDHIFS-ZACQAIPSSA-N 1 3 350.507 2.835 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)[C@@H]1CC[N@@H+](C)C1 ZINC000645499845 730564097 /nfs/dbraw/zinc/56/40/97/730564097.db2.gz DWZJMLILWDHIFS-ZACQAIPSSA-N 1 3 350.507 2.835 20 0 FFADHO CN(CCCOc1ccc(S(C)(=O)=O)cc1)CCCC1CC[NH2+]CC1 ZINC000647882201 730768719 /nfs/dbraw/zinc/76/87/19/730768719.db2.gz VLOWYKLXJNGKLE-UHFFFAOYSA-N 1 3 368.543 2.571 20 0 FFADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2csc3ccccc23)CC1 ZINC000863549379 730790070 /nfs/dbraw/zinc/79/00/70/730790070.db2.gz BXNWHUGSPFEZOQ-DLBZAZTESA-N 1 3 357.479 2.658 20 0 FFADHO CCCN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCN(C)C1 ZINC000648996015 730848990 /nfs/dbraw/zinc/84/89/90/730848990.db2.gz LASMRJGDJRRHOF-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO CCCN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCN(C)C1 ZINC000648996015 730848994 /nfs/dbraw/zinc/84/89/94/730848994.db2.gz LASMRJGDJRRHOF-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649293726 730875190 /nfs/dbraw/zinc/87/51/90/730875190.db2.gz GSHMQIMNZBXLKD-SJORKVTESA-N 1 3 351.441 2.575 20 0 FFADHO CCN1CC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417204 730952125 /nfs/dbraw/zinc/95/21/25/730952125.db2.gz BVSGVTKIQXGFJN-OLZOCXBDSA-N 1 3 353.429 2.764 20 0 FFADHO CC[N@@H+]1CC[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417204 730952128 /nfs/dbraw/zinc/95/21/28/730952128.db2.gz BVSGVTKIQXGFJN-OLZOCXBDSA-N 1 3 353.429 2.764 20 0 FFADHO CC[N@H+]1CC[C@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417204 730952132 /nfs/dbraw/zinc/95/21/32/730952132.db2.gz BVSGVTKIQXGFJN-OLZOCXBDSA-N 1 3 353.429 2.764 20 0 FFADHO COCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000650086560 730954929 /nfs/dbraw/zinc/95/49/29/730954929.db2.gz BKMFQWKZBHDFLM-IAGOWNOFSA-N 1 3 360.420 2.829 20 0 FFADHO CC(C)N1CCC(CC[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000866467573 731064238 /nfs/dbraw/zinc/06/42/38/731064238.db2.gz KXOBTDBHPXVPBG-QGZVFWFLSA-N 1 3 352.544 2.949 20 0 FFADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925570684 738514937 /nfs/dbraw/zinc/51/49/37/738514937.db2.gz XHJNKRHNFFZMLJ-ZWKOTPCHSA-N 1 3 367.559 2.510 20 0 FFADHO OC[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)Cc1ccc(F)c(F)c1 ZINC000925659506 738520994 /nfs/dbraw/zinc/52/09/94/738520994.db2.gz VQSIZJYZDLZKKO-KNBMTAEXSA-N 1 3 352.469 2.874 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc(Cl)n1 ZINC000870991331 731583879 /nfs/dbraw/zinc/58/38/79/731583879.db2.gz DPYNNTOCJYQRSW-RDTXWAMCSA-N 1 3 352.910 2.657 20 0 FFADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCS2 ZINC000925850672 738536554 /nfs/dbraw/zinc/53/65/54/738536554.db2.gz PAEPJRXXJKDCDU-ZBFHGGJFSA-N 1 3 362.495 2.507 20 0 FFADHO O=C1O[C@H](CN[C@H]2CCSc3c(F)cccc32)CC12CC[NH2+]CC2 ZINC000925852149 738536853 /nfs/dbraw/zinc/53/68/53/738536853.db2.gz GWQAJBJYSMPROH-WFASDCNBSA-N 1 3 350.459 2.638 20 0 FFADHO COc1ccc(CC[NH2+]Cc2cc3c(s2)CCNC3)c(OC)c1OC ZINC000873210809 731891561 /nfs/dbraw/zinc/89/15/61/731891561.db2.gz CAZVOTSPHWIJEF-UHFFFAOYSA-N 1 3 362.495 2.752 20 0 FFADHO N[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[C@H]1F ZINC000659024428 731937744 /nfs/dbraw/zinc/93/77/44/731937744.db2.gz CMGYVQPDQZPZON-IAGOWNOFSA-N 1 3 366.506 2.778 20 0 FFADHO CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(Cl)cc1 ZINC000659491852 731981887 /nfs/dbraw/zinc/98/18/87/731981887.db2.gz DQARZAXTUJFIIF-BRWVUGGUSA-N 1 3 370.900 2.804 20 0 FFADHO CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(Cl)cc1 ZINC000659491852 731981888 /nfs/dbraw/zinc/98/18/88/731981888.db2.gz DQARZAXTUJFIIF-BRWVUGGUSA-N 1 3 370.900 2.804 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000660404389 732105309 /nfs/dbraw/zinc/10/53/09/732105309.db2.gz GLXSOQSKYXZWSG-KURKYZTESA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000875358600 732147259 /nfs/dbraw/zinc/14/72/59/732147259.db2.gz AGRGTIQBHHGGNG-AEFFLSMTSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292962 732293552 /nfs/dbraw/zinc/29/35/52/732293552.db2.gz PSIIGWUQZAXWGH-NVXWUHKLSA-N 1 3 361.555 2.733 20 0 FFADHO Clc1ccccc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335920 732300180 /nfs/dbraw/zinc/30/01/80/732300180.db2.gz UHEBMXDVPJHLMB-INIZCTEOSA-N 1 3 359.905 2.852 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)N(C)C)cc1 ZINC000662663676 732344493 /nfs/dbraw/zinc/34/44/93/732344493.db2.gz OYRHLSGBWYHQLQ-NVXWUHKLSA-N 1 3 357.420 2.510 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000663441214 732440797 /nfs/dbraw/zinc/44/07/97/732440797.db2.gz PYCLWTYDIWXJLK-DOTOQJQBSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000663441214 732440801 /nfs/dbraw/zinc/44/08/01/732440801.db2.gz PYCLWTYDIWXJLK-DOTOQJQBSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000665760588 732752468 /nfs/dbraw/zinc/75/24/68/732752468.db2.gz KWTKAMXREZSKQE-ZNMIVQPWSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000665760588 732752469 /nfs/dbraw/zinc/75/24/69/732752469.db2.gz KWTKAMXREZSKQE-ZNMIVQPWSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000665763676 732752981 /nfs/dbraw/zinc/75/29/81/732752981.db2.gz IVWNQHXERGKYEO-KKUMJFAQSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000665763676 732752982 /nfs/dbraw/zinc/75/29/82/732752982.db2.gz IVWNQHXERGKYEO-KKUMJFAQSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(Cl)c2C1 ZINC000665763691 732753512 /nfs/dbraw/zinc/75/35/12/732753512.db2.gz JCHBGFUAOYBJID-HNNXBMFYSA-N 1 3 366.937 2.680 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(Cl)c2C1 ZINC000665763691 732753515 /nfs/dbraw/zinc/75/35/15/732753515.db2.gz JCHBGFUAOYBJID-HNNXBMFYSA-N 1 3 366.937 2.680 20 0 FFADHO CC(C)Oc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000667185569 732961638 /nfs/dbraw/zinc/96/16/38/732961638.db2.gz TYRSCCRVFIQHPL-INIZCTEOSA-N 1 3 350.507 2.867 20 0 FFADHO CC(C)Oc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000667185569 732961642 /nfs/dbraw/zinc/96/16/42/732961642.db2.gz TYRSCCRVFIQHPL-INIZCTEOSA-N 1 3 350.507 2.867 20 0 FFADHO COc1cccc(SC)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667263461 732973966 /nfs/dbraw/zinc/97/39/66/732973966.db2.gz GXGNFGMEVDZGQX-AWEZNQCLSA-N 1 3 368.547 2.811 20 0 FFADHO COc1cccc(SC)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667263461 732973968 /nfs/dbraw/zinc/97/39/68/732973968.db2.gz GXGNFGMEVDZGQX-AWEZNQCLSA-N 1 3 368.547 2.811 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)c2cccs2)CC1 ZINC000668644653 733148683 /nfs/dbraw/zinc/14/86/83/733148683.db2.gz APBOVTSLXOSMEO-IAGOWNOFSA-N 1 3 364.559 2.962 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000668644682 733148791 /nfs/dbraw/zinc/14/87/91/733148791.db2.gz HEDDXVJEKMIMQB-HZPDHXFCSA-N 1 3 350.532 2.511 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000670128448 733309156 /nfs/dbraw/zinc/30/91/56/733309156.db2.gz QRJZIHXSOWQRCT-KBXCAEBGSA-N 1 3 366.937 2.972 20 0 FFADHO C[C@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000883359922 733373259 /nfs/dbraw/zinc/37/32/59/733373259.db2.gz QKJQBCXHISANPL-SMDDNHRTSA-N 1 3 370.362 2.836 20 0 FFADHO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000677215280 733926067 /nfs/dbraw/zinc/92/60/67/733926067.db2.gz FTMUAPOHBVPGKU-INIZCTEOSA-N 1 3 368.953 2.791 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000891543196 734443551 /nfs/dbraw/zinc/44/35/51/734443551.db2.gz QSYWMBNWNRIBCR-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891543196 734443553 /nfs/dbraw/zinc/44/35/53/734443553.db2.gz QSYWMBNWNRIBCR-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NC[C@H](O)COc2ccccc2Br)C1 ZINC000902353186 735935857 /nfs/dbraw/zinc/93/58/57/735935857.db2.gz WVILNCLUYBGKGE-KBPBESRZSA-N 1 3 371.319 2.557 20 0 FFADHO CN1CCC(NC(=S)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000752774874 736011429 /nfs/dbraw/zinc/01/14/29/736011429.db2.gz SCGAGSRQIPJQNZ-UHFFFAOYSA-N 1 3 352.592 2.543 20 0 FFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000903214365 736056698 /nfs/dbraw/zinc/05/66/98/736056698.db2.gz YWCMSVHUPCGAJP-NMACRGETSA-N 1 3 362.539 2.941 20 0 FFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000903214365 736056700 /nfs/dbraw/zinc/05/67/00/736056700.db2.gz YWCMSVHUPCGAJP-NMACRGETSA-N 1 3 362.539 2.941 20 0 FFADHO C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1CC[NH3+] ZINC000903496375 736102310 /nfs/dbraw/zinc/10/23/10/736102310.db2.gz LLXPMHNRAOPJJA-DGCLKSJQSA-N 1 3 365.275 2.916 20 0 FFADHO Cc1csc(C[C@@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903954465 736194339 /nfs/dbraw/zinc/19/43/39/736194339.db2.gz SSTXSAYQEILQNK-DLBZAZTESA-N 1 3 361.559 2.566 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C[C@]2(C)C1 ZINC000933733572 739680998 /nfs/dbraw/zinc/68/09/98/739680998.db2.gz DWRRUQQQRCTELQ-PVUWLOKVSA-N 1 3 359.297 2.617 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C[C@]2(C)C1 ZINC000933733572 739681003 /nfs/dbraw/zinc/68/10/03/739681003.db2.gz DWRRUQQQRCTELQ-PVUWLOKVSA-N 1 3 359.297 2.617 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000905069007 736292070 /nfs/dbraw/zinc/29/20/70/736292070.db2.gz AJELPQBTMZKDFH-CMKODMSKSA-N 1 3 354.535 2.571 20 0 FFADHO COc1c(C)cc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000796761420 740181018 /nfs/dbraw/zinc/18/10/18/740181018.db2.gz FCXNHJFWGGYAMX-HUUCEWRRSA-N 1 3 367.921 2.895 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2scnc2C)CC[N@@H+]1C ZINC000960007231 740608132 /nfs/dbraw/zinc/60/81/32/740608132.db2.gz CHXBEZJWKFRFSR-YESZJQIVSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2scnc2C)CC[N@H+]1C ZINC000960007231 740608136 /nfs/dbraw/zinc/60/81/36/740608136.db2.gz CHXBEZJWKFRFSR-YESZJQIVSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3nccs3)CC2)CC[N@@H+]1C ZINC000963338495 740651132 /nfs/dbraw/zinc/65/11/32/740651132.db2.gz XLFLSSRQRRSUBZ-SJJHQCBESA-N 1 3 364.559 2.733 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3nccs3)CC2)CC[N@H+]1C ZINC000963338495 740651136 /nfs/dbraw/zinc/65/11/36/740651136.db2.gz XLFLSSRQRRSUBZ-SJJHQCBESA-N 1 3 364.559 2.733 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000997595637 742018524 /nfs/dbraw/zinc/01/85/24/742018524.db2.gz GAFRMJXOUIMCHR-CWRNSKLLSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(CCC(F)(F)F)CC2)CC[N@H+]1C ZINC000997595637 742018527 /nfs/dbraw/zinc/01/85/27/742018527.db2.gz GAFRMJXOUIMCHR-CWRNSKLLSA-N 1 3 363.468 2.886 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000817286078 742117921 /nfs/dbraw/zinc/11/79/21/742117921.db2.gz QFAUUADEDDFSAA-HXUWFJFHSA-N 1 3 365.949 2.865 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000817286078 742117923 /nfs/dbraw/zinc/11/79/23/742117923.db2.gz QFAUUADEDDFSAA-HXUWFJFHSA-N 1 3 365.949 2.865 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000819175065 742348024 /nfs/dbraw/zinc/34/80/24/742348024.db2.gz SWCGSZFGFFTLDK-KZNAEPCWSA-N 1 3 373.324 2.994 20 0 FFADHO CCC1(C[NH2+]CCS(=O)(=O)CC)CCN(Cc2ccccc2)CC1 ZINC000819189768 742350922 /nfs/dbraw/zinc/35/09/22/742350922.db2.gz KKPORZSDWFEZCM-UHFFFAOYSA-N 1 3 352.544 2.703 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)NCc3nccs3)CC2)CC[N@@H+]1C ZINC001029101794 742805490 /nfs/dbraw/zinc/80/54/90/742805490.db2.gz NBCQYCURGSGCRM-BHYGNILZSA-N 1 3 364.559 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)NCc3nccs3)CC2)CC[N@H+]1C ZINC001029101794 742805495 /nfs/dbraw/zinc/80/54/95/742805495.db2.gz NBCQYCURGSGCRM-BHYGNILZSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823637160 742952358 /nfs/dbraw/zinc/95/23/58/742952358.db2.gz GYNWVMSRJBXPLW-OXQOHEQNSA-N 1 3 351.535 2.953 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)cs1 ZINC001050049073 743493072 /nfs/dbraw/zinc/49/30/72/743493072.db2.gz FQLXDTMHBBMIBT-QXCFHYIPSA-N 1 3 361.555 2.820 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)cs1 ZINC001050049073 743493075 /nfs/dbraw/zinc/49/30/75/743493075.db2.gz FQLXDTMHBBMIBT-QXCFHYIPSA-N 1 3 361.555 2.820 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3scnc3C)CC2)CC[N@@H+]1C ZINC001052395332 743587279 /nfs/dbraw/zinc/58/72/79/743587279.db2.gz PTYLXBGLGWPWSA-IXDOHACOSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3scnc3C)CC2)CC[N@H+]1C ZINC001052395332 743587283 /nfs/dbraw/zinc/58/72/83/743587283.db2.gz PTYLXBGLGWPWSA-IXDOHACOSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827625081 744950215 /nfs/dbraw/zinc/95/02/15/744950215.db2.gz KEWABLYOGUSDAR-YOKBYHGQSA-N 1 3 366.937 2.916 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000829548759 745223415 /nfs/dbraw/zinc/22/34/15/745223415.db2.gz OHUPUGMIHSFAMG-CVEARBPZSA-N 1 3 352.910 2.814 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000829548759 745223419 /nfs/dbraw/zinc/22/34/19/745223419.db2.gz OHUPUGMIHSFAMG-CVEARBPZSA-N 1 3 352.910 2.814 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830708930 745412891 /nfs/dbraw/zinc/41/28/91/745412891.db2.gz UTDHIUXGSQNDLK-GOEBONIOSA-N 1 3 352.910 2.624 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[NH2+]C2CCCCCC2)cc(Cl)n1 ZINC000841849150 747475863 /nfs/dbraw/zinc/47/58/63/747475863.db2.gz XNCZEJXYDGGZNC-MRXNPFEDSA-N 1 3 352.910 2.862 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc(Cl)n1 ZINC000843506415 747846220 /nfs/dbraw/zinc/84/62/20/747846220.db2.gz CDHPUYSVDZNBCP-DLBZAZTESA-N 1 3 358.873 2.518 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(C)C2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000844168482 747983059 /nfs/dbraw/zinc/98/30/59/747983059.db2.gz CNGGWGUKKYLRHB-MRXNPFEDSA-N 1 3 352.910 2.765 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C[C@H]1C ZINC000844186152 747984106 /nfs/dbraw/zinc/98/41/06/747984106.db2.gz UYUYPANLYAHMAN-VNQPRFMTSA-N 1 3 352.910 2.765 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C[C@H]1C ZINC000844186152 747984109 /nfs/dbraw/zinc/98/41/09/747984109.db2.gz UYUYPANLYAHMAN-VNQPRFMTSA-N 1 3 352.910 2.765 20 0 FFADHO C[C@@H](C[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)CN(C)C ZINC000850470452 749369170 /nfs/dbraw/zinc/36/91/70/749369170.db2.gz DVLUSHMESZORTK-BBRMVZONSA-N 1 3 357.420 2.810 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000853241924 750036683 /nfs/dbraw/zinc/03/66/83/750036683.db2.gz YSQDZHUNGUAFDE-WBVHZDCISA-N 1 3 351.535 2.953 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000384978548 845826230 /nfs/dbraw/zinc/82/62/30/845826230.db2.gz PGOXYVWMXYHNEQ-SJORKVTESA-N 1 3 357.539 2.721 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@@H]2C1 ZINC001087908952 971071944 /nfs/dbraw/zinc/07/19/44/971071944.db2.gz UBJSZKXCFCZBTK-HBFSDRIKSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@@H]2C1 ZINC001087908952 971071950 /nfs/dbraw/zinc/07/19/50/971071950.db2.gz UBJSZKXCFCZBTK-HBFSDRIKSA-N 1 3 359.489 2.509 20 0 FFADHO C[C@@H]1CN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC000896003490 971152559 /nfs/dbraw/zinc/15/25/59/971152559.db2.gz WZRGBVHAUHRRLW-ZACQAIPSSA-N 1 3 360.502 2.895 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC001105064373 971437293 /nfs/dbraw/zinc/43/72/93/971437293.db2.gz LSCGPWSMIMZCTI-NVXWUHKLSA-N 1 3 367.484 2.879 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001105066881 971446210 /nfs/dbraw/zinc/44/62/10/971446210.db2.gz DYEVMXQBZSBTLA-OAGGEKHMSA-N 1 3 363.468 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001267853393 971505567 /nfs/dbraw/zinc/50/55/67/971505567.db2.gz NUUPKDRGHLWZHZ-DSKINZAPSA-N 1 3 361.505 2.931 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCc2ccccc2F)C2CC2)CC[N@H+]1C ZINC001267853393 971505572 /nfs/dbraw/zinc/50/55/72/971505572.db2.gz NUUPKDRGHLWZHZ-DSKINZAPSA-N 1 3 361.505 2.931 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999353 971776837 /nfs/dbraw/zinc/77/68/37/971776837.db2.gz HHCOVIGFCWEWPN-GIVPXCGWSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999353 971776843 /nfs/dbraw/zinc/77/68/43/971776843.db2.gz HHCOVIGFCWEWPN-GIVPXCGWSA-N 1 3 370.541 2.545 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000123953175 1013144020 /nfs/dbraw/zinc/14/40/20/1013144020.db2.gz LTBZHIYZBZRJGV-UHFFFAOYSA-N 1 3 366.509 2.947 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000652128394 972250010 /nfs/dbraw/zinc/25/00/10/972250010.db2.gz ZJMOICJVDMPCTC-FQEVSTJZSA-N 1 3 370.472 2.921 20 0 FFADHO Cn1cc(N2CCC[C@H](N3CCC[C@H](C[C@@H]([NH3+])C4CCCC4)C3)C2=O)cn1 ZINC000872156668 1013157631 /nfs/dbraw/zinc/15/76/31/1013157631.db2.gz LABWEYFVPBJSEN-AHRSYUTCSA-N 1 3 373.545 2.535 20 0 FFADHO COc1ccc([C@@H](NC2CCN(CC[NH+](C)C)CC2)c2ccccn2)cc1 ZINC000652139029 972369383 /nfs/dbraw/zinc/36/93/83/972369383.db2.gz ZDKHJYVIGCOVQD-JOCHJYFZSA-N 1 3 368.525 2.795 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N(C)Cc1ccccc1 ZINC000660635747 972399029 /nfs/dbraw/zinc/39/90/29/972399029.db2.gz KHUMIKCEXKYOOX-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N(C)Cc1ccccc1 ZINC000660635747 972399033 /nfs/dbraw/zinc/39/90/33/972399033.db2.gz KHUMIKCEXKYOOX-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(O)cc(OC)c3)CC2)CC1 ZINC000654988269 959242384 /nfs/dbraw/zinc/24/23/84/959242384.db2.gz HKKVFWUINJHWQJ-UHFFFAOYSA-N 1 3 361.486 2.536 20 0 FFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1 ZINC000969707757 959781282 /nfs/dbraw/zinc/78/12/82/959781282.db2.gz XGBLHNZXYKKFBO-ORYQWCPZSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC000969707757 959781293 /nfs/dbraw/zinc/78/12/93/959781293.db2.gz XGBLHNZXYKKFBO-ORYQWCPZSA-N 1 3 357.542 2.916 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc(C)cc3C)C2)CC[N@@H+]1C ZINC000969706259 959787222 /nfs/dbraw/zinc/78/72/22/959787222.db2.gz KDZXKWIAJRKZRF-JRGCBEDISA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc(C)cc3C)C2)CC[N@H+]1C ZINC000969706259 959787237 /nfs/dbraw/zinc/78/72/37/959787237.db2.gz KDZXKWIAJRKZRF-JRGCBEDISA-N 1 3 357.542 2.970 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1cccc(OC)c1 ZINC000655443138 959960042 /nfs/dbraw/zinc/96/00/42/959960042.db2.gz BJRYGQWTQQTIFE-SFHLNBCPSA-N 1 3 359.514 2.584 20 0 FFADHO O=C1CCCN1Cc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655696854 961099663 /nfs/dbraw/zinc/09/96/63/961099663.db2.gz LGHLUVSXCMNXPG-OAQYLSRUSA-N 1 3 371.525 2.542 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1C ZINC001095424677 1013333318 /nfs/dbraw/zinc/33/33/18/1013333318.db2.gz ZNORPXYXKRPGST-CZYKHXBRSA-N 1 3 367.537 2.867 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001095424431 1013334689 /nfs/dbraw/zinc/33/46/89/1013334689.db2.gz QNBCGVXVPXDSTI-ZRNYENFQSA-N 1 3 373.566 2.744 20 0 FFADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000649368896 1013379998 /nfs/dbraw/zinc/37/99/98/1013379998.db2.gz PQHHOBWKYNDFOD-UYAOXDASSA-N 1 3 367.468 2.954 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000649381337 1013387505 /nfs/dbraw/zinc/38/75/05/1013387505.db2.gz MFSDHSFGGFYSRZ-DYESRHJHSA-N 1 3 363.505 2.510 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000649381337 1013387517 /nfs/dbraw/zinc/38/75/17/1013387517.db2.gz MFSDHSFGGFYSRZ-DYESRHJHSA-N 1 3 363.505 2.510 20 0 FFADHO CCN1CCN(c2cccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2)CC1 ZINC000656255932 962988834 /nfs/dbraw/zinc/98/88/34/962988834.db2.gz NOJNNOGVFGUKIU-QFIPXVFZSA-N 1 3 372.557 2.884 20 0 FFADHO Cc1ccc(F)c(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1Cl ZINC001276078485 1013411599 /nfs/dbraw/zinc/41/15/99/1013411599.db2.gz NRPPFJCRDUWUAL-IBGZPJMESA-N 1 3 367.896 2.774 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)cc2)C1)N(C)C ZINC001104346444 963694598 /nfs/dbraw/zinc/69/45/98/963694598.db2.gz BBPMAOYECHHLBZ-YVWKXTFCSA-N 1 3 361.530 2.610 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000891411696 963898699 /nfs/dbraw/zinc/89/86/99/963898699.db2.gz OZVMRUVELSJBIY-AFKBCAQJSA-N 1 3 356.514 2.652 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2scnc2C)C1 ZINC001104362790 964084885 /nfs/dbraw/zinc/08/48/85/964084885.db2.gz JTCOZPDHRHTGOP-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000873321594 1013481769 /nfs/dbraw/zinc/48/17/69/1013481769.db2.gz SORKWCJQZKBALP-LJQANCHMSA-N 1 3 352.482 2.627 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000645292426 964561139 /nfs/dbraw/zinc/56/11/39/964561139.db2.gz UDQHOZAOPZFHGI-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000645292426 964561149 /nfs/dbraw/zinc/56/11/49/964561149.db2.gz UDQHOZAOPZFHGI-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167961959 964783142 /nfs/dbraw/zinc/78/31/42/964783142.db2.gz RBZBPKDKGCVWRD-UMQXSMKFSA-N 1 3 355.526 2.721 20 0 FFADHO Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C2CCC2)s1 ZINC001087175370 965101161 /nfs/dbraw/zinc/10/11/61/965101161.db2.gz JYWGMCFDAQAKMN-PBHICJAKSA-N 1 3 364.559 2.653 20 0 FFADHO CN1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@]2(C)C1 ZINC000933741149 965135640 /nfs/dbraw/zinc/13/56/40/965135640.db2.gz SATBMBFQUSMPKM-HFTRVMKXSA-N 1 3 367.415 2.694 20 0 FFADHO CN1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@]2(C)C1 ZINC000933741149 965135649 /nfs/dbraw/zinc/13/56/49/965135649.db2.gz SATBMBFQUSMPKM-HFTRVMKXSA-N 1 3 367.415 2.694 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638621276 965163679 /nfs/dbraw/zinc/16/36/79/965163679.db2.gz VUPNWBXEZPTSGZ-AWEZNQCLSA-N 1 3 374.451 2.565 20 0 FFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638621276 965163688 /nfs/dbraw/zinc/16/36/88/965163688.db2.gz VUPNWBXEZPTSGZ-AWEZNQCLSA-N 1 3 374.451 2.565 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892020561 965825033 /nfs/dbraw/zinc/82/50/33/965825033.db2.gz YFYVDTPRHLSYFB-OAQYLSRUSA-N 1 3 370.541 2.967 20 0 FFADHO COc1cc(C[NH2+]Cc2ccnn2-c2ccncc2)cc(OC)c1OC ZINC000657293989 965967232 /nfs/dbraw/zinc/96/72/32/965967232.db2.gz ZFRRYAYUCGWWND-UHFFFAOYSA-N 1 3 354.410 2.583 20 0 FFADHO CC(C)n1ccnc1CNCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000657307281 966032569 /nfs/dbraw/zinc/03/25/69/966032569.db2.gz MMLUAEYKLQRPHF-FQEVSTJZSA-N 1 3 355.530 2.932 20 0 FFADHO CC(C)n1ccnc1CNCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000657307281 966032580 /nfs/dbraw/zinc/03/25/80/966032580.db2.gz MMLUAEYKLQRPHF-FQEVSTJZSA-N 1 3 355.530 2.932 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)CCN1Cc1ccccc1 ZINC000894883884 966070978 /nfs/dbraw/zinc/07/09/78/966070978.db2.gz BGVUCXDLLRBANQ-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](CNCc2ccccn2)C1 ZINC001087205475 966314235 /nfs/dbraw/zinc/31/42/35/966314235.db2.gz VNVINPXCMBSOGH-LXZJYRNTSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](CNCc2ccccn2)C1 ZINC001087205475 966314243 /nfs/dbraw/zinc/31/42/43/966314243.db2.gz VNVINPXCMBSOGH-LXZJYRNTSA-N 1 3 358.530 2.529 20 0 FFADHO c1ncn(-c2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2)n1 ZINC000657613002 966959028 /nfs/dbraw/zinc/95/90/28/966959028.db2.gz TXNLVCAUWCNZPZ-UHFFFAOYSA-N 1 3 362.481 2.664 20 0 FFADHO Cc1cc(C)n2c(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cnc2n1 ZINC000657613599 966961910 /nfs/dbraw/zinc/96/19/10/966961910.db2.gz NXLQSNOFINXLBM-UHFFFAOYSA-N 1 3 364.497 2.743 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccnn3-c3ccc(F)cc3)C2)C1 ZINC000650708364 967558342 /nfs/dbraw/zinc/55/83/42/967558342.db2.gz YRSGJQJTEVLLRB-VPWXQRGCSA-N 1 3 358.461 2.730 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)c1ccccc1 ZINC001176621394 1013738077 /nfs/dbraw/zinc/73/80/77/1013738077.db2.gz ZGRJPYCHWBIVGW-DNVBULBTSA-N 1 3 355.526 2.774 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)c1ccccc1 ZINC001176621394 1013738085 /nfs/dbraw/zinc/73/80/85/1013738085.db2.gz ZGRJPYCHWBIVGW-DNVBULBTSA-N 1 3 355.526 2.774 20 0 FFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001075800360 967667470 /nfs/dbraw/zinc/66/74/70/967667470.db2.gz UTJJNYBXUHMOMM-PCCBWWKXSA-N 1 3 371.500 2.531 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)c1ccccc1 ZINC001176621398 1013739250 /nfs/dbraw/zinc/73/92/50/1013739250.db2.gz ZGRJPYCHWBIVGW-UTNFEIGLSA-N 1 3 355.526 2.774 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)c1ccccc1 ZINC001176621398 1013739254 /nfs/dbraw/zinc/73/92/54/1013739254.db2.gz ZGRJPYCHWBIVGW-UTNFEIGLSA-N 1 3 355.526 2.774 20 0 FFADHO CCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)cc1 ZINC001075809179 967910541 /nfs/dbraw/zinc/91/05/41/967910541.db2.gz XYEFNSLGLOGXSH-UMSONDCASA-N 1 3 355.526 2.622 20 0 FFADHO CCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)cc1 ZINC001075809179 967910545 /nfs/dbraw/zinc/91/05/45/967910545.db2.gz XYEFNSLGLOGXSH-UMSONDCASA-N 1 3 355.526 2.622 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNCc2ccc(F)c(F)c2)C1 ZINC001087245221 967982470 /nfs/dbraw/zinc/98/24/70/967982470.db2.gz JOYXYTSLPOVKRZ-OIISXLGYSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNCc2ccc(F)c(F)c2)C1 ZINC001087245221 967982478 /nfs/dbraw/zinc/98/24/78/967982478.db2.gz JOYXYTSLPOVKRZ-OIISXLGYSA-N 1 3 365.468 2.633 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000665287508 968021105 /nfs/dbraw/zinc/02/11/05/968021105.db2.gz NDJFHRFRNLVNOG-JOCHJYFZSA-N 1 3 366.509 2.751 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001112166184 968317069 /nfs/dbraw/zinc/31/70/69/968317069.db2.gz IRGCPQHOZHRKOQ-RRFJBIMHSA-N 1 3 363.468 2.886 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@H]1CCOC1 ZINC000658077886 968527080 /nfs/dbraw/zinc/52/70/80/968527080.db2.gz RTDAKHUDTVIKRD-PVIWCNJMSA-N 1 3 358.526 2.928 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001087684598 968598968 /nfs/dbraw/zinc/59/89/68/968598968.db2.gz CMKHVDGXXGKOFT-JKSUJKDBSA-N 1 3 357.489 2.875 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CC1CC(F)(F)C1 ZINC001087684598 968598982 /nfs/dbraw/zinc/59/89/82/968598982.db2.gz CMKHVDGXXGKOFT-JKSUJKDBSA-N 1 3 357.489 2.875 20 0 FFADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167552 968957066 /nfs/dbraw/zinc/95/70/66/968957066.db2.gz RKBVGPMMRRSUBB-MGPQQGTHSA-N 1 3 369.447 2.691 20 0 FFADHO COc1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)nc1 ZINC000892510694 969239462 /nfs/dbraw/zinc/23/94/62/969239462.db2.gz RHAKFQVALUCHGE-IAGOWNOFSA-N 1 3 355.482 2.989 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033938 969643167 /nfs/dbraw/zinc/64/31/67/969643167.db2.gz ZWAMKUGWLFCMJC-YZLZLFLDSA-N 1 3 374.529 2.835 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033938 969643171 /nfs/dbraw/zinc/64/31/71/969643171.db2.gz ZWAMKUGWLFCMJC-YZLZLFLDSA-N 1 3 374.529 2.835 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659029173 969644041 /nfs/dbraw/zinc/64/40/41/969644041.db2.gz AUMAGMKFSWLTEK-XLIONFOSSA-N 1 3 374.529 2.981 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659029173 969644043 /nfs/dbraw/zinc/64/40/43/969644043.db2.gz AUMAGMKFSWLTEK-XLIONFOSSA-N 1 3 374.529 2.981 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659038563 969656758 /nfs/dbraw/zinc/65/67/58/969656758.db2.gz SNSMSPALEWGPFK-HNAYVOBHSA-N 1 3 360.502 2.542 20 0 FFADHO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659039538 969657759 /nfs/dbraw/zinc/65/77/59/969657759.db2.gz BFTDYOSZOPPWEJ-GOSISDBHSA-N 1 3 360.502 2.591 20 0 FFADHO CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659039538 969657763 /nfs/dbraw/zinc/65/77/63/969657763.db2.gz BFTDYOSZOPPWEJ-GOSISDBHSA-N 1 3 360.502 2.591 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1 ZINC000874845874 1013915948 /nfs/dbraw/zinc/91/59/48/1013915948.db2.gz WSKFMSAWWVQWKL-UXHICEINSA-N 1 3 359.514 2.716 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000659424947 969912660 /nfs/dbraw/zinc/91/26/60/969912660.db2.gz DNASNUYZQDYAFL-WOJBJXKFSA-N 1 3 358.530 2.711 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000659426869 969917733 /nfs/dbraw/zinc/91/77/33/969917733.db2.gz FVWGXVQWWQAOGY-SFTDATJTSA-N 1 3 372.557 2.581 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659478833 969967521 /nfs/dbraw/zinc/96/75/21/969967521.db2.gz USOIJVRUMMMHLB-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)[C@@H]1c1ccccc1 ZINC000659473778 969970205 /nfs/dbraw/zinc/97/02/05/969970205.db2.gz MYSOPPCWPMNVSW-ACRUOGEOSA-N 1 3 370.541 2.853 20 0 FFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659486322 969977814 /nfs/dbraw/zinc/97/78/14/969977814.db2.gz DXIRIIYUBOTIBV-AABGKKOBSA-N 1 3 374.504 2.587 20 0 FFADHO Cc1ccc(CC[NH2+]CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001104679093 970087952 /nfs/dbraw/zinc/08/79/52/970087952.db2.gz GDHIJJPUMNPILU-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001104680948 970089603 /nfs/dbraw/zinc/08/96/03/970089603.db2.gz ZWWFDDLREGXYEY-ZHALLVOQSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1CC[NH2+]CC1CC1 ZINC001104681673 970093277 /nfs/dbraw/zinc/09/32/77/970093277.db2.gz MVZBFKKKZYIRJI-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001104682098 970094185 /nfs/dbraw/zinc/09/41/85/970094185.db2.gz AYCAYBPZZSNFDB-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]Cc1ccccc1 ZINC001104683298 970099659 /nfs/dbraw/zinc/09/96/59/970099659.db2.gz JHVFGLVKZCYAPF-UYAOXDASSA-N 1 3 357.542 2.993 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCc3cccs3)CC[C@@H]2C1 ZINC001088106209 972810916 /nfs/dbraw/zinc/81/09/16/972810916.db2.gz QJYDNUWQOKBDMJ-KSZLIROESA-N 1 3 361.555 2.555 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCc3cccs3)CC[C@@H]2C1 ZINC001088106209 972810927 /nfs/dbraw/zinc/81/09/27/972810927.db2.gz QJYDNUWQOKBDMJ-KSZLIROESA-N 1 3 361.555 2.555 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c(C)c1 ZINC001088106807 972824915 /nfs/dbraw/zinc/82/49/15/972824915.db2.gz RYFMSAPFHMPWSS-BWAGFHJFSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c(C)c1 ZINC001088106807 972824922 /nfs/dbraw/zinc/82/49/22/972824922.db2.gz RYFMSAPFHMPWSS-BWAGFHJFSA-N 1 3 369.553 2.926 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109554 972839698 /nfs/dbraw/zinc/83/96/98/972839698.db2.gz LIHCETVPNIIKGE-FSSWDIPSSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109554 972839702 /nfs/dbraw/zinc/83/97/02/972839702.db2.gz LIHCETVPNIIKGE-FSSWDIPSSA-N 1 3 371.569 2.912 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121457 972919337 /nfs/dbraw/zinc/91/93/37/972919337.db2.gz HXDPHWRTCWLSPN-UXHICEINSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1ccccc1CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121457 972919349 /nfs/dbraw/zinc/91/93/49/972919349.db2.gz HXDPHWRTCWLSPN-UXHICEINSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c(C)c1 ZINC001088120964 972928694 /nfs/dbraw/zinc/92/86/94/972928694.db2.gz HYCUIOHWIRIRDX-MOPGFXCFSA-N 1 3 366.509 2.858 20 0 FFADHO Cc1cc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c(C)c1 ZINC001088120964 972928702 /nfs/dbraw/zinc/92/87/02/972928702.db2.gz HYCUIOHWIRIRDX-MOPGFXCFSA-N 1 3 366.509 2.858 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(CC(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544158 972965815 /nfs/dbraw/zinc/96/58/15/972965815.db2.gz VDVRXHIERCYWRW-SEIRJHJZSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(CC(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544158 972965823 /nfs/dbraw/zinc/96/58/23/972965823.db2.gz VDVRXHIERCYWRW-SEIRJHJZSA-N 1 3 374.569 2.956 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000660838527 972973232 /nfs/dbraw/zinc/97/32/32/972973232.db2.gz WLSHYBCOYZXMKZ-VQTJNVASSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000660838527 972973240 /nfs/dbraw/zinc/97/32/40/972973240.db2.gz WLSHYBCOYZXMKZ-VQTJNVASSA-N 1 3 370.541 2.682 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000896960499 973078951 /nfs/dbraw/zinc/07/89/51/973078951.db2.gz WHAONWFVKYJNOB-XLIONFOSSA-N 1 3 361.530 2.828 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000896960499 973078965 /nfs/dbraw/zinc/07/89/65/973078965.db2.gz WHAONWFVKYJNOB-XLIONFOSSA-N 1 3 361.530 2.828 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000660956628 973224022 /nfs/dbraw/zinc/22/40/22/973224022.db2.gz BRRYWKQAZREMAW-GIVPXCGWSA-N 1 3 370.541 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000660956628 973224027 /nfs/dbraw/zinc/22/40/27/973224027.db2.gz BRRYWKQAZREMAW-GIVPXCGWSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661027755 973379235 /nfs/dbraw/zinc/37/92/35/973379235.db2.gz FVLWTVDOYBSNJZ-NEWSRXKRSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661027755 973379239 /nfs/dbraw/zinc/37/92/39/973379239.db2.gz FVLWTVDOYBSNJZ-NEWSRXKRSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001151994010 1032082006 /nfs/dbraw/zinc/08/20/06/1032082006.db2.gz ZSXXQZNBRGSJQD-QIJUGHKUSA-N 1 3 369.553 2.882 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001151994010 1032082021 /nfs/dbraw/zinc/08/20/21/1032082021.db2.gz ZSXXQZNBRGSJQD-QIJUGHKUSA-N 1 3 369.553 2.882 20 0 FFADHO Cc1ccc(F)c(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)c1 ZINC001088171885 973498904 /nfs/dbraw/zinc/49/89/04/973498904.db2.gz LMAFEWUSJZBMNU-MJGOQNOKSA-N 1 3 371.500 2.510 20 0 FFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210686 973662892 /nfs/dbraw/zinc/66/28/92/973662892.db2.gz WJEGLRKNRFIGTC-AHRSYUTCSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210686 973662898 /nfs/dbraw/zinc/66/28/98/973662898.db2.gz WJEGLRKNRFIGTC-AHRSYUTCSA-N 1 3 361.505 2.890 20 0 FFADHO Cn1ccnc1C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655718967 974083344 /nfs/dbraw/zinc/08/33/44/974083344.db2.gz RDFQXIFNGWUWQS-RTWAWAEBSA-N 1 3 368.525 2.937 20 0 FFADHO Cn1ccnc1C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655718966 974091095 /nfs/dbraw/zinc/09/10/95/974091095.db2.gz RDFQXIFNGWUWQS-NHCUHLMSSA-N 1 3 368.525 2.937 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000665763905 974093135 /nfs/dbraw/zinc/09/31/35/974093135.db2.gz OLLOBKKEIQRFGB-FUHWJXTLSA-N 1 3 362.518 2.788 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000665763905 974093142 /nfs/dbraw/zinc/09/31/42/974093142.db2.gz OLLOBKKEIQRFGB-FUHWJXTLSA-N 1 3 362.518 2.788 20 0 FFADHO Cc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762662 974096151 /nfs/dbraw/zinc/09/61/51/974096151.db2.gz LZHQDBATJNDRFM-RBUKOAKNSA-N 1 3 362.562 2.839 20 0 FFADHO Cc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762662 974096163 /nfs/dbraw/zinc/09/61/63/974096163.db2.gz LZHQDBATJNDRFM-RBUKOAKNSA-N 1 3 362.562 2.839 20 0 FFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc3c2CNC3)cc1 ZINC000662866807 974425974 /nfs/dbraw/zinc/42/59/74/974425974.db2.gz IFUIECUIJYWIKR-RXVVDRJESA-N 1 3 365.477 2.564 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c(F)c1 ZINC000653223897 1014272445 /nfs/dbraw/zinc/27/24/45/1014272445.db2.gz BDGMILDBUITFDJ-SFHVURJKSA-N 1 3 373.447 2.952 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662507530 975662836 /nfs/dbraw/zinc/66/28/36/975662836.db2.gz PKEHVGKPCKKNBY-OAHLLOKOSA-N 1 3 350.466 2.640 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001027893209 975744405 /nfs/dbraw/zinc/74/44/05/975744405.db2.gz PNCXLBZLFDOLCF-YSIASYRMSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(OC)cc2)CC[N@H+]1C ZINC001027893209 975744412 /nfs/dbraw/zinc/74/44/12/975744412.db2.gz PNCXLBZLFDOLCF-YSIASYRMSA-N 1 3 359.514 2.506 20 0 FFADHO COCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531840 975969528 /nfs/dbraw/zinc/96/95/28/975969528.db2.gz SYDDYNXDPCGPHJ-RXVVDRJESA-N 1 3 367.578 2.609 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663465784 975975963 /nfs/dbraw/zinc/97/59/63/975975963.db2.gz LKYANGCLIPGEJQ-WMZOPIPTSA-N 1 3 369.509 2.773 20 0 FFADHO O=C(NCc1ccc(Nc2ccncc2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000663545445 976201359 /nfs/dbraw/zinc/20/13/59/976201359.db2.gz KHDIAWXJTXALBG-UHFFFAOYSA-N 1 3 365.481 2.673 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)c4ccncc34)CC2)CC1 ZINC000667641946 976572005 /nfs/dbraw/zinc/57/20/05/976572005.db2.gz JJOYHTXSCUWZFY-UHFFFAOYSA-N 1 3 370.472 2.662 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cccc(F)c2)CC3)CC[N@@H+]1C ZINC000990759500 976931878 /nfs/dbraw/zinc/93/18/78/976931878.db2.gz CHXRQIPXUGFUIF-OBZYLPMUSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cccc(F)c2)CC3)CC[N@H+]1C ZINC000990759500 976931888 /nfs/dbraw/zinc/93/18/88/976931888.db2.gz CHXRQIPXUGFUIF-OBZYLPMUSA-N 1 3 359.489 2.779 20 0 FFADHO Cc1ccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)c(C)n1 ZINC000990761638 976952694 /nfs/dbraw/zinc/95/26/94/976952694.db2.gz JVQZGFUQKUTKRS-JWUVWSEFSA-N 1 3 370.541 2.652 20 0 FFADHO Cc1ccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)c(C)n1 ZINC000990761638 976952701 /nfs/dbraw/zinc/95/27/01/976952701.db2.gz JVQZGFUQKUTKRS-JWUVWSEFSA-N 1 3 370.541 2.652 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000667795840 977054756 /nfs/dbraw/zinc/05/47/56/977054756.db2.gz RTJFPMLLAMESRX-HNNXBMFYSA-N 1 3 367.497 2.978 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCF)C1 ZINC001211730076 977518912 /nfs/dbraw/zinc/51/89/12/977518912.db2.gz MXEBFKVVKSFZHD-ZCNNSNEGSA-N 1 3 361.505 2.805 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[C@@H]3CCCN4C)CC2)CC1 ZINC000893814936 977554910 /nfs/dbraw/zinc/55/49/10/977554910.db2.gz YRYKAMKGXXSNLO-TUNPWDSISA-N 1 3 362.562 2.908 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCC[NH+]2CCCCCC2)c(OC)c1 ZINC000126205581 977873175 /nfs/dbraw/zinc/87/31/75/977873175.db2.gz VQSMCNNTAVJRAA-MRXNPFEDSA-N 1 3 363.502 2.887 20 0 FFADHO Cc1cccnc1CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088317691 979140445 /nfs/dbraw/zinc/14/04/45/979140445.db2.gz LRGKLOOXQXNHNI-CEXWTWQISA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cccnc1CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088317691 979140447 /nfs/dbraw/zinc/14/04/47/979140447.db2.gz LRGKLOOXQXNHNI-CEXWTWQISA-N 1 3 358.530 2.591 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001076161439 979177113 /nfs/dbraw/zinc/17/71/13/979177113.db2.gz NMQNKAAJMTVMOR-PCCBWWKXSA-N 1 3 355.526 2.841 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001076161439 979177116 /nfs/dbraw/zinc/17/71/16/979177116.db2.gz NMQNKAAJMTVMOR-PCCBWWKXSA-N 1 3 355.526 2.841 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c(C)c1 ZINC001076244777 979278455 /nfs/dbraw/zinc/27/84/55/979278455.db2.gz YZKAAODPENZDSG-JRGCBEDISA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c(C)c1 ZINC001076244777 979278461 /nfs/dbraw/zinc/27/84/61/979278461.db2.gz YZKAAODPENZDSG-JRGCBEDISA-N 1 3 355.526 2.678 20 0 FFADHO CCCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001076568077 979666461 /nfs/dbraw/zinc/66/64/61/979666461.db2.gz TYNGWFLLRQPFCZ-PCCBWWKXSA-N 1 3 355.526 2.624 20 0 FFADHO CCCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001076568077 979666464 /nfs/dbraw/zinc/66/64/64/979666464.db2.gz TYNGWFLLRQPFCZ-PCCBWWKXSA-N 1 3 355.526 2.624 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001076568917 979667310 /nfs/dbraw/zinc/66/73/10/979667310.db2.gz CJTOAPMPVKQWTE-BHDDXSALSA-N 1 3 369.553 2.870 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001076568917 979667313 /nfs/dbraw/zinc/66/73/13/979667313.db2.gz CJTOAPMPVKQWTE-BHDDXSALSA-N 1 3 369.553 2.870 20 0 FFADHO C[C@H]1C[C@H](Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000877609706 1014643204 /nfs/dbraw/zinc/64/32/04/1014643204.db2.gz HEPLVUJOSDZVPG-AZUAARDMSA-N 1 3 360.546 2.598 20 0 FFADHO C[C@H]1C[C@H](Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000877609706 1014643212 /nfs/dbraw/zinc/64/32/12/1014643212.db2.gz HEPLVUJOSDZVPG-AZUAARDMSA-N 1 3 360.546 2.598 20 0 FFADHO COCCN(Cc1cnn(Cc2ccc(F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000877664870 1014666640 /nfs/dbraw/zinc/66/66/40/1014666640.db2.gz ZVKNANGUZBARRZ-UHFFFAOYSA-N 1 3 374.504 2.861 20 0 FFADHO COCCN(Cc1cc(OC)c(OC)cc1OC)CC1CC[NH+](C)CC1 ZINC000877665019 1014668005 /nfs/dbraw/zinc/66/80/05/1014668005.db2.gz CQLOVBJKTOQJRF-UHFFFAOYSA-N 1 3 366.502 2.503 20 0 FFADHO CCc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)cc1 ZINC001088571843 981165345 /nfs/dbraw/zinc/16/53/45/981165345.db2.gz PJVMEQBOTJMMMQ-CZAAIQMYSA-N 1 3 355.526 2.670 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134886870 981257493 /nfs/dbraw/zinc/25/74/93/981257493.db2.gz ZIHXMQIKPOGJIK-LKUPVBHCSA-N 1 3 362.489 2.652 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134886870 981257495 /nfs/dbraw/zinc/25/74/95/981257495.db2.gz ZIHXMQIKPOGJIK-LKUPVBHCSA-N 1 3 362.489 2.652 20 0 FFADHO Cc1ccccc1-n1nccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707252 1014746612 /nfs/dbraw/zinc/74/66/12/1014746612.db2.gz BUTGTTVKJKCDPV-WFXMLNOXSA-N 1 3 354.498 2.899 20 0 FFADHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(OC)c1OC ZINC000650722557 1014750106 /nfs/dbraw/zinc/75/01/06/1014750106.db2.gz WNBUQIKGWJHVAD-ZACQAIPSSA-N 1 3 364.486 2.573 20 0 FFADHO CCCn1ccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000897540159 981938617 /nfs/dbraw/zinc/93/86/17/981938617.db2.gz JATFSSLBYFYRSE-UHFFFAOYSA-N 1 3 360.546 2.711 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402489 984508128 /nfs/dbraw/zinc/50/81/28/984508128.db2.gz MMGGKWUUQAPGEG-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO CCOCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402489 984508132 /nfs/dbraw/zinc/50/81/32/984508132.db2.gz MMGGKWUUQAPGEG-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000669389226 984512509 /nfs/dbraw/zinc/51/25/09/984512509.db2.gz ZRZIQLVOPSLURD-VQIMIIECSA-N 1 3 358.530 2.592 20 0 FFADHO COCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407841 984512801 /nfs/dbraw/zinc/51/28/01/984512801.db2.gz HYJAUZJXKNUFCV-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO COCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407841 984512803 /nfs/dbraw/zinc/51/28/03/984512803.db2.gz HYJAUZJXKNUFCV-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO Cc1cccnc1C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436751 984538118 /nfs/dbraw/zinc/53/81/18/984538118.db2.gz NNOQGQBUZJALLL-TZIWHRDSSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cccnc1C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436751 984538121 /nfs/dbraw/zinc/53/81/21/984538121.db2.gz NNOQGQBUZJALLL-TZIWHRDSSA-N 1 3 370.541 2.735 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2)C1CC1 ZINC001107439342 984540081 /nfs/dbraw/zinc/54/00/81/984540081.db2.gz WUVGUGQKMDNTHJ-QWFCFKBJSA-N 1 3 353.526 2.827 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2)C1CC1 ZINC001107439342 984540082 /nfs/dbraw/zinc/54/00/82/984540082.db2.gz WUVGUGQKMDNTHJ-QWFCFKBJSA-N 1 3 353.526 2.827 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCC(C)C)CC2)N(C)C ZINC001107450362 984554810 /nfs/dbraw/zinc/55/48/10/984554810.db2.gz GJBIBDAWZXGDCZ-SFHLNBCPSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCC(C)C)CC2)N(C)C ZINC001107450362 984554814 /nfs/dbraw/zinc/55/48/14/984554814.db2.gz GJBIBDAWZXGDCZ-SFHLNBCPSA-N 1 3 367.578 2.750 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2 ZINC001107454913 984560003 /nfs/dbraw/zinc/56/00/03/984560003.db2.gz PVHLXFRMURJNND-VQIMIIECSA-N 1 3 364.559 2.734 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2 ZINC001107454913 984560008 /nfs/dbraw/zinc/56/00/08/984560008.db2.gz PVHLXFRMURJNND-VQIMIIECSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H](C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12)OC ZINC001107495248 984596819 /nfs/dbraw/zinc/59/68/19/984596819.db2.gz LNBMVQZAEGMQHT-WAOWUJCRSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H](C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12)OC ZINC001107495248 984596820 /nfs/dbraw/zinc/59/68/20/984596820.db2.gz LNBMVQZAEGMQHT-WAOWUJCRSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483952 984650212 /nfs/dbraw/zinc/65/02/12/984650212.db2.gz UPDZXLNXYYNYRA-SXLOBPIMSA-N 1 3 358.530 2.982 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000669483995 984650691 /nfs/dbraw/zinc/65/06/91/984650691.db2.gz XFWBLFXIDRUVKC-UNMCSNQZSA-N 1 3 370.541 2.999 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107549966 984667199 /nfs/dbraw/zinc/66/71/99/984667199.db2.gz KOTYYDBRTXRLBH-SFHLNBCPSA-N 1 3 365.562 2.506 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)CN3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107549966 984667204 /nfs/dbraw/zinc/66/72/04/984667204.db2.gz KOTYYDBRTXRLBH-SFHLNBCPSA-N 1 3 365.562 2.506 20 0 FFADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550435 984669030 /nfs/dbraw/zinc/66/90/30/984669030.db2.gz VJYKKTMGLUGVDS-AHRSYUTCSA-N 1 3 353.526 2.970 20 0 FFADHO CCC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550435 984669033 /nfs/dbraw/zinc/66/90/33/984669033.db2.gz VJYKKTMGLUGVDS-AHRSYUTCSA-N 1 3 353.526 2.970 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)c1ccccc1CC1CC[NH2+]CC1 ZINC000669513443 984699419 /nfs/dbraw/zinc/69/94/19/984699419.db2.gz PPQGJGIZVLHLKX-UHFFFAOYSA-N 1 3 350.466 2.522 20 0 FFADHO CC[C@@H]1CN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC[C@H]1[NH3+] ZINC000669562595 984785058 /nfs/dbraw/zinc/78/50/58/984785058.db2.gz VRSJNLWDDJXVOQ-VAMGGRTRSA-N 1 3 360.546 2.912 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncccc1C)CC2 ZINC001107614690 984826002 /nfs/dbraw/zinc/82/60/02/984826002.db2.gz HTQVYMOQJYUSKP-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncccc1C)CC2 ZINC001107614690 984826016 /nfs/dbraw/zinc/82/60/16/984826016.db2.gz HTQVYMOQJYUSKP-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cnoc1C)CC2 ZINC001107615718 984828727 /nfs/dbraw/zinc/82/87/27/984828727.db2.gz JZBSUGVGMMBWAH-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cnoc1C)CC2 ZINC001107615718 984828741 /nfs/dbraw/zinc/82/87/41/984828741.db2.gz JZBSUGVGMMBWAH-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO O=C(CC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107643849 984926036 /nfs/dbraw/zinc/92/60/36/984926036.db2.gz VEEHDKVTCRIBDR-IFMALSPDSA-N 1 3 370.541 2.818 20 0 FFADHO O=C(N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001098842064 985341009 /nfs/dbraw/zinc/34/10/09/985341009.db2.gz VYLZNJOTVZFPCZ-BJLQDIEVSA-N 1 3 359.539 2.561 20 0 FFADHO Cn1nc2c(c1C[NH2+]CCCCN1CCN(c3ccccc3)CC1)CCC2 ZINC000921559730 985400128 /nfs/dbraw/zinc/40/01/28/985400128.db2.gz PYDBKQNFKXYREC-UHFFFAOYSA-N 1 3 367.541 2.601 20 0 FFADHO Cc1nc(C(C)C)oc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998795701 986257043 /nfs/dbraw/zinc/25/70/43/986257043.db2.gz KXGRHNOKHIKLQB-RDHHWEPZSA-N 1 3 362.518 2.526 20 0 FFADHO Cc1nc(C(C)C)oc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998795701 986257055 /nfs/dbraw/zinc/25/70/55/986257055.db2.gz KXGRHNOKHIKLQB-RDHHWEPZSA-N 1 3 362.518 2.526 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccc(C(=O)NCC[NH+](C)C)cc3)ccc2O1 ZINC000921759022 986939617 /nfs/dbraw/zinc/93/96/17/986939617.db2.gz HBUHTVSNAHRCMT-MRXNPFEDSA-N 1 3 367.493 2.591 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001106249228 987756232 /nfs/dbraw/zinc/75/62/32/987756232.db2.gz CVMUMMQMWRQVRU-LARHTMHMSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)C1CC[NH2+]CC1 ZINC000166932518 988098162 /nfs/dbraw/zinc/09/81/62/988098162.db2.gz KVRZKQSQXBSZNO-KRWDZBQOSA-N 1 3 373.541 2.855 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1 ZINC001106665243 988607757 /nfs/dbraw/zinc/60/77/57/988607757.db2.gz NTBOMJCZHXRJNS-SFHLNBCPSA-N 1 3 357.542 2.706 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOC2CCCCCC2)[C@H](C)C1)N(C)C ZINC001106674100 988618270 /nfs/dbraw/zinc/61/82/70/988618270.db2.gz RRGFJKWJPIDTBS-GGPKGHCWSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)OCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729080 988790477 /nfs/dbraw/zinc/79/04/77/988790477.db2.gz HKAUNFVJTLNTKU-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO COc1cccc(CNC(=O)[C@H](C)N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000879248379 1015436958 /nfs/dbraw/zinc/43/69/58/1015436958.db2.gz LZZCOEAATPNMDC-KRWDZBQOSA-N 1 3 359.514 2.508 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2C)[C@H](C)C1 ZINC001106784304 989045182 /nfs/dbraw/zinc/04/51/82/989045182.db2.gz GHUNFJSVPBKGDE-VQIMIIECSA-N 1 3 361.530 2.530 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCCC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000652118713 1015469933 /nfs/dbraw/zinc/46/99/33/1015469933.db2.gz RTFPHUOUWNVTNE-HXUWFJFHSA-N 1 3 374.529 2.521 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH3+])cc2F)N(C)C)cc1 ZINC000652141567 1015475849 /nfs/dbraw/zinc/47/58/49/1015475849.db2.gz UMMVRISHFFWJAP-IBGZPJMESA-N 1 3 358.461 2.695 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652192642 1015493603 /nfs/dbraw/zinc/49/36/03/1015493603.db2.gz IFTQNDUPENOVCO-SFHVURJKSA-N 1 3 362.518 2.505 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C/C=C\c3ccccc3)CC2)CC[N@@H+]1C ZINC001005413465 989767738 /nfs/dbraw/zinc/76/77/38/989767738.db2.gz SFRWOTJFVAHLJF-VWZYZNDNSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C/C=C\c3ccccc3)CC2)CC[N@H+]1C ZINC001005413465 989767745 /nfs/dbraw/zinc/76/77/45/989767745.db2.gz SFRWOTJFVAHLJF-VWZYZNDNSA-N 1 3 355.526 2.963 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH3+])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000652276527 1015514699 /nfs/dbraw/zinc/51/46/99/1015514699.db2.gz ZRHVTMNQEDSSCD-IBGZPJMESA-N 1 3 370.472 2.700 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000675102085 990042981 /nfs/dbraw/zinc/04/29/81/990042981.db2.gz MSBZDTBACPYYST-JRGCBEDISA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000675102085 990042991 /nfs/dbraw/zinc/04/29/91/990042991.db2.gz MSBZDTBACPYYST-JRGCBEDISA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346000 1015532981 /nfs/dbraw/zinc/53/29/81/1015532981.db2.gz QRZYXUNITVDUOG-KWQGSUNZSA-N 1 3 365.562 2.534 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000675175781 990093501 /nfs/dbraw/zinc/09/35/01/990093501.db2.gz AIJMGDAOQJFLAA-HXUWFJFHSA-N 1 3 358.530 2.608 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000675177027 990094560 /nfs/dbraw/zinc/09/45/60/990094560.db2.gz HGOPDBFNUBFCLI-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000652361502 1015541535 /nfs/dbraw/zinc/54/15/35/1015541535.db2.gz JEFARFFVGPKZSD-NRSPTQNISA-N 1 3 371.525 2.538 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3c(C)cc(C)cc3C)C2)CC[N@@H+]1C ZINC001031684343 990966295 /nfs/dbraw/zinc/96/62/95/990966295.db2.gz LMXMBBIPKUNZAE-PZJWPPBQSA-N 1 3 357.542 2.890 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3c(C)cc(C)cc3C)C2)CC[N@H+]1C ZINC001031684343 990966300 /nfs/dbraw/zinc/96/63/00/990966300.db2.gz LMXMBBIPKUNZAE-PZJWPPBQSA-N 1 3 357.542 2.890 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)sc2C)[C@H](C)C1 ZINC001106907870 991431618 /nfs/dbraw/zinc/43/16/18/991431618.db2.gz GOVXONOXGWFNLI-RDTXWAMCSA-N 1 3 351.560 2.891 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC2CCC2)C1 ZINC001079159321 991862547 /nfs/dbraw/zinc/86/25/47/991862547.db2.gz WDTMWSOQGZDVNK-VQTJNVASSA-N 1 3 370.472 2.866 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187807 991898204 /nfs/dbraw/zinc/89/82/04/991898204.db2.gz ZXKFUCDFSTZPIN-XUVXKRRUSA-N 1 3 361.505 2.706 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)cc1 ZINC001079843946 992484313 /nfs/dbraw/zinc/48/43/13/992484313.db2.gz QVYQQNSYZQYHQR-HMXCVIKNSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC001079843946 992484318 /nfs/dbraw/zinc/48/43/18/992484318.db2.gz QVYQQNSYZQYHQR-HMXCVIKNSA-N 1 3 357.542 2.909 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001080021845 992657183 /nfs/dbraw/zinc/65/71/83/992657183.db2.gz VKFGPZQXNKERRS-QRQLOZEOSA-N 1 3 363.571 2.848 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001080021845 992657185 /nfs/dbraw/zinc/65/71/85/992657185.db2.gz VKFGPZQXNKERRS-QRQLOZEOSA-N 1 3 363.571 2.848 20 0 FFADHO Cc1nsc(C)c1CN1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052226 992677682 /nfs/dbraw/zinc/67/76/82/992677682.db2.gz FBRFKLBRMSOFPB-KZULUSFZSA-N 1 3 369.494 2.658 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001080188337 992806628 /nfs/dbraw/zinc/80/66/28/992806628.db2.gz DFPDDXISRJILAT-DUXKGJEZSA-N 1 3 355.526 2.806 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001080188337 992806638 /nfs/dbraw/zinc/80/66/38/992806638.db2.gz DFPDDXISRJILAT-DUXKGJEZSA-N 1 3 355.526 2.806 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1C)N1CCCCCC1 ZINC001080554068 993160380 /nfs/dbraw/zinc/16/03/80/993160380.db2.gz ANDFZXRPCHOWEQ-WSTZPKSXSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1C)N1CCCCCC1 ZINC001080554068 993160382 /nfs/dbraw/zinc/16/03/82/993160382.db2.gz ANDFZXRPCHOWEQ-WSTZPKSXSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)c1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)n1 ZINC001107038660 993290632 /nfs/dbraw/zinc/29/06/32/993290632.db2.gz CCGSKFZNSDCRGU-QZTJIDSGSA-N 1 3 360.546 2.729 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080780733 993358877 /nfs/dbraw/zinc/35/88/77/993358877.db2.gz ABXHECBYISCJQR-PLMTUMEDSA-N 1 3 366.509 2.513 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080780733 993358879 /nfs/dbraw/zinc/35/88/79/993358879.db2.gz ABXHECBYISCJQR-PLMTUMEDSA-N 1 3 366.509 2.513 20 0 FFADHO CC1([NH+]2CCC2)CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000880473791 1015845095 /nfs/dbraw/zinc/84/50/95/1015845095.db2.gz OMYHMMFJJJHDSJ-UHFFFAOYSA-N 1 3 356.558 2.759 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001131519338 994349892 /nfs/dbraw/zinc/34/98/92/994349892.db2.gz LDWISRWXHAWCKN-AQNXPRMDSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001131522414 994363538 /nfs/dbraw/zinc/36/35/38/994363538.db2.gz HAMFZEPPACKCMB-QRQLOZEOSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604703 994437621 /nfs/dbraw/zinc/43/76/21/994437621.db2.gz CDMGITFHALQLAM-QUCCMNQESA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001082512305 994760041 /nfs/dbraw/zinc/76/00/41/994760041.db2.gz WVMRJCZKFSPQLG-GDBMZVCRSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000810521046 994808436 /nfs/dbraw/zinc/80/84/36/994808436.db2.gz DGNUHNJWODAXMN-MMOPVJDHSA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000810521046 994808445 /nfs/dbraw/zinc/80/84/45/994808445.db2.gz DGNUHNJWODAXMN-MMOPVJDHSA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1ccccc1OC1CC1 ZINC001082520167 994809820 /nfs/dbraw/zinc/80/98/20/994809820.db2.gz FCKUGRZWUQPPHS-XNFNUYLZSA-N 1 3 371.525 2.505 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1ccccc1OC1CC1 ZINC001082520167 994809827 /nfs/dbraw/zinc/80/98/27/994809827.db2.gz FCKUGRZWUQPPHS-XNFNUYLZSA-N 1 3 371.525 2.505 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001082557462 994926814 /nfs/dbraw/zinc/92/68/14/994926814.db2.gz GICYHOUUMBVCRZ-CXAGYDPISA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1cccc(Cl)c1F ZINC001082559608 994933135 /nfs/dbraw/zinc/93/31/35/994933135.db2.gz KIIDVCPJBGQOLO-NJAPINKUSA-N 1 3 367.896 2.756 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001082559590 994933224 /nfs/dbraw/zinc/93/32/24/994933224.db2.gz JYCMLGMLTSFZLP-HBGVWJBISA-N 1 3 357.542 2.568 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001082561715 994945193 /nfs/dbraw/zinc/94/51/93/994945193.db2.gz MEBDECKNXNGVLG-DYESRHJHSA-N 1 3 357.542 2.712 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1)N(C)C ZINC001082589873 995003611 /nfs/dbraw/zinc/00/36/11/995003611.db2.gz RGIKCOIVJUWMLE-KBRIMQKVSA-N 1 3 371.447 2.982 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1 ZINC000903490765 1015931004 /nfs/dbraw/zinc/93/10/04/1015931004.db2.gz GXLFYNAMUBBCBD-UZKOGDIHSA-N 1 3 352.478 2.638 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1 ZINC000903490765 1015931011 /nfs/dbraw/zinc/93/10/11/1015931011.db2.gz GXLFYNAMUBBCBD-UZKOGDIHSA-N 1 3 352.478 2.638 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001082741329 995395615 /nfs/dbraw/zinc/39/56/15/995395615.db2.gz XQASVMPOZXNOTQ-MBOZVWFJSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001082741329 995395623 /nfs/dbraw/zinc/39/56/23/995395623.db2.gz XQASVMPOZXNOTQ-MBOZVWFJSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001082742904 995400395 /nfs/dbraw/zinc/40/03/95/995400395.db2.gz WFFPZYROSPIUPI-HDMKZQKVSA-N 1 3 365.468 2.903 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082861632 995666520 /nfs/dbraw/zinc/66/65/20/995666520.db2.gz IVWIXILFXADIRV-GPMSIDNRSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082861632 995666523 /nfs/dbraw/zinc/66/65/23/995666523.db2.gz IVWIXILFXADIRV-GPMSIDNRSA-N 1 3 363.933 2.927 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1ccccc1Cl ZINC001082863691 995671868 /nfs/dbraw/zinc/67/18/68/995671868.db2.gz SQHLNEMMLRXUIN-RVKKMQEKSA-N 1 3 361.917 2.933 20 0 FFADHO COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000280280214 995815045 /nfs/dbraw/zinc/81/50/45/995815045.db2.gz YLUUZZGRKRYZRL-BEFAXECRSA-N 1 3 360.498 2.782 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001082942682 995878895 /nfs/dbraw/zinc/87/88/95/995878895.db2.gz PHYVYGZUYQQJTH-DYESRHJHSA-N 1 3 366.509 2.702 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001082943374 995882020 /nfs/dbraw/zinc/88/20/20/995882020.db2.gz GNUTULNGHAVQSJ-NSISKUIASA-N 1 3 361.505 2.679 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@@H+](C(C)C)CC3)cc2)CC1 ZINC000727934559 996093303 /nfs/dbraw/zinc/09/33/03/996093303.db2.gz DEMPWIHCFOWTGQ-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@H+](C(C)C)CC3)cc2)CC1 ZINC000727934559 996093310 /nfs/dbraw/zinc/09/33/10/996093310.db2.gz DEMPWIHCFOWTGQ-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO COc1ccc(C2CC2)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000880856009 1016008088 /nfs/dbraw/zinc/00/80/88/1016008088.db2.gz JRTBZEFNUMUHTO-HNNXBMFYSA-N 1 3 362.518 2.966 20 0 FFADHO COc1ccc(C2CC2)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000880856009 1016008100 /nfs/dbraw/zinc/00/81/00/1016008100.db2.gz JRTBZEFNUMUHTO-HNNXBMFYSA-N 1 3 362.518 2.966 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ncccc2C)CC[N@@H+]1C ZINC001049483292 1016011898 /nfs/dbraw/zinc/01/18/98/1016011898.db2.gz UVPAAYYTTJVLKW-FYZZASKESA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ncccc2C)CC[N@H+]1C ZINC001049483292 1016011909 /nfs/dbraw/zinc/01/19/09/1016011909.db2.gz UVPAAYYTTJVLKW-FYZZASKESA-N 1 3 370.541 2.686 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)[C@@H]3C2)cc1 ZINC001084422282 996521977 /nfs/dbraw/zinc/52/19/77/996521977.db2.gz SRJZLRLUFPTHMS-QHAWAJNXSA-N 1 3 355.526 2.902 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1 ZINC001084422282 996521982 /nfs/dbraw/zinc/52/19/82/996521982.db2.gz SRJZLRLUFPTHMS-QHAWAJNXSA-N 1 3 355.526 2.902 20 0 FFADHO O=C(N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084442819 996595683 /nfs/dbraw/zinc/59/56/83/996595683.db2.gz SCVNVQCMXFRXKN-NHCUHLMSSA-N 1 3 367.537 2.638 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084831766 997581099 /nfs/dbraw/zinc/58/10/99/997581099.db2.gz YXDNSUBZFBURMP-SFHLNBCPSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831766 997581105 /nfs/dbraw/zinc/58/11/05/997581105.db2.gz YXDNSUBZFBURMP-SFHLNBCPSA-N 1 3 355.526 2.794 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000844191988 997700938 /nfs/dbraw/zinc/70/09/38/997700938.db2.gz XOWVWWZIXMNIPO-DBVUQKKJSA-N 1 3 356.514 2.688 20 0 FFADHO C[NH+]1CCC2(CC1)CN(CCCCCCNC(=O)OC(C)(C)C)CCO2 ZINC000844348072 997819198 /nfs/dbraw/zinc/81/91/98/997819198.db2.gz XYPWURIHRJRNGE-UHFFFAOYSA-N 1 3 369.550 2.868 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC001091038717 998274504 /nfs/dbraw/zinc/27/45/04/998274504.db2.gz DRLQMPCINLRBGD-JMRUKAPWSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC001091038717 998274515 /nfs/dbraw/zinc/27/45/15/998274515.db2.gz DRLQMPCINLRBGD-JMRUKAPWSA-N 1 3 365.468 2.680 20 0 FFADHO C[C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000732274655 998568190 /nfs/dbraw/zinc/56/81/90/998568190.db2.gz KUFYZRASUQFZAO-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3CC[N@H+](CC4CCC4)[C@H]3C2)C1 ZINC001085033145 998724044 /nfs/dbraw/zinc/72/40/44/998724044.db2.gz SBOVQMDJDDWKRG-LVCYWYKZSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3CC[N@@H+](CC4CCC4)[C@H]3C2)C1 ZINC001085033145 998724056 /nfs/dbraw/zinc/72/40/56/998724056.db2.gz SBOVQMDJDDWKRG-LVCYWYKZSA-N 1 3 365.537 2.922 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085050053 998782996 /nfs/dbraw/zinc/78/29/96/998782996.db2.gz SQWDJLLLDAYSPK-CTNGQTDRSA-N 1 3 370.541 2.545 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1ccccc1F)[C@H]1C[NH+]2CCC1CC2 ZINC001085200481 999156454 /nfs/dbraw/zinc/15/64/54/999156454.db2.gz LIBIARDOPVZMGO-DFQSSKMNSA-N 1 3 359.489 2.685 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC001085217962 999185340 /nfs/dbraw/zinc/18/53/40/999185340.db2.gz ZOANGNFEAKYUGX-KZNAEPCWSA-N 1 3 364.559 2.843 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccs1)c1ccn2cncc2c1 ZINC001085260647 999273489 /nfs/dbraw/zinc/27/34/89/999273489.db2.gz YAMMICSJLKAXBR-HZPDHXFCSA-N 1 3 355.467 2.622 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1)N1CCCC1 ZINC001085295384 999312157 /nfs/dbraw/zinc/31/21/57/999312157.db2.gz DJNKWLUOXWCTSG-IPMKNSEASA-N 1 3 365.562 2.837 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC001085352764 999410137 /nfs/dbraw/zinc/41/01/37/999410137.db2.gz VUBMTYOETLHCHH-KZNAEPCWSA-N 1 3 364.559 2.923 20 0 FFADHO Cc1ccccc1-n1nccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980650 1016358130 /nfs/dbraw/zinc/35/81/30/1016358130.db2.gz WVBMEEXXYGXAAC-BGYRXZFFSA-N 1 3 365.525 2.581 20 0 FFADHO Cc1ccccc1-n1nccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980650 1016358140 /nfs/dbraw/zinc/35/81/40/1016358140.db2.gz WVBMEEXXYGXAAC-BGYRXZFFSA-N 1 3 365.525 2.581 20 0 FFADHO Cc1ccccc1-n1nccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980650 1016358150 /nfs/dbraw/zinc/35/81/50/1016358150.db2.gz WVBMEEXXYGXAAC-BGYRXZFFSA-N 1 3 365.525 2.581 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C1)C2 ZINC001169134205 1000024139 /nfs/dbraw/zinc/02/41/39/1000024139.db2.gz RDLBGVQMCHRUKK-XAPVIXHLSA-N 1 3 368.525 2.664 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C1)C2 ZINC001169134205 1000024140 /nfs/dbraw/zinc/02/41/40/1000024140.db2.gz RDLBGVQMCHRUKK-XAPVIXHLSA-N 1 3 368.525 2.664 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)[C@H](C)C2)cc1 ZINC001169140688 1000026872 /nfs/dbraw/zinc/02/68/72/1000026872.db2.gz LJCLDTLWZVLTDP-DBOLQNLKSA-N 1 3 371.525 2.605 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)[C@H](C)C2)cc1 ZINC001169140688 1000026874 /nfs/dbraw/zinc/02/68/74/1000026874.db2.gz LJCLDTLWZVLTDP-DBOLQNLKSA-N 1 3 371.525 2.605 20 0 FFADHO CC1(C)C[C@H](Nc2cncc(OCCN3CCCC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001169146619 1000027237 /nfs/dbraw/zinc/02/72/37/1000027237.db2.gz WFLOYKAXAZVJGB-OXJNMPFZSA-N 1 3 361.534 2.907 20 0 FFADHO CC[NH+]1CCC(N2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)CC1 ZINC001169255008 1000035305 /nfs/dbraw/zinc/03/53/05/1000035305.db2.gz LWFWALGHKWCIBM-HXUWFJFHSA-N 1 3 355.526 2.951 20 0 FFADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001169452195 1000048866 /nfs/dbraw/zinc/04/88/66/1000048866.db2.gz KZIBUIMQQSPVDA-QGZVFWFLSA-N 1 3 361.530 2.678 20 0 FFADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001169452235 1000048940 /nfs/dbraw/zinc/04/89/40/1000048940.db2.gz LUVLBYDPPLVMHX-QGZVFWFLSA-N 1 3 361.530 2.678 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccccc3CC[NH3+])cc2)CC1 ZINC000846674960 1000406277 /nfs/dbraw/zinc/40/62/77/1000406277.db2.gz ZFPOBHKSSMEXNK-UHFFFAOYSA-N 1 3 352.482 2.582 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2cccc(F)c2)CC1 ZINC001109650076 1000780207 /nfs/dbraw/zinc/78/02/07/1000780207.db2.gz QVRPTUSGCHQWOD-AABGKKOBSA-N 1 3 373.516 2.822 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)CC1 ZINC001109669073 1000822879 /nfs/dbraw/zinc/82/28/79/1000822879.db2.gz MQSHHAYRZKNYEL-GIVPXCGWSA-N 1 3 371.525 2.519 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091666806 1000989760 /nfs/dbraw/zinc/98/97/60/1000989760.db2.gz GSNHLOJHMJQGQK-LMMKCTJWSA-N 1 3 369.500 2.685 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091666806 1000989768 /nfs/dbraw/zinc/98/97/68/1000989768.db2.gz GSNHLOJHMJQGQK-LMMKCTJWSA-N 1 3 369.500 2.685 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091738260 1001183130 /nfs/dbraw/zinc/18/31/30/1001183130.db2.gz RYHLMMNGLAPFNO-XPNTWCBSSA-N 1 3 369.553 2.658 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091738260 1001183137 /nfs/dbraw/zinc/18/31/37/1001183137.db2.gz RYHLMMNGLAPFNO-XPNTWCBSSA-N 1 3 369.553 2.658 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC ZINC001109968385 1001210658 /nfs/dbraw/zinc/21/06/58/1001210658.db2.gz CJKKUOYSASFZIT-YRXWBPOGSA-N 1 3 353.551 2.645 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001086882846 1001301247 /nfs/dbraw/zinc/30/12/47/1001301247.db2.gz PNSVEMJSSSAPES-JZXOWHBKSA-N 1 3 364.559 2.700 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C[C@@H]2C)CCN(C/C=C/Cl)CC3)CC[N@@H+]1C ZINC001086923846 1001332272 /nfs/dbraw/zinc/33/22/72/1001332272.db2.gz CFVBGPDDBXKYPR-DBTHKTKJSA-N 1 3 353.938 2.782 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C[C@@H]2C)CCN(C/C=C/Cl)CC3)CC[N@H+]1C ZINC001086923846 1001332277 /nfs/dbraw/zinc/33/22/77/1001332277.db2.gz CFVBGPDDBXKYPR-DBTHKTKJSA-N 1 3 353.938 2.782 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2scnc2C)C1 ZINC001112567247 1001497810 /nfs/dbraw/zinc/49/78/10/1001497810.db2.gz DTYKOVKIINWIAO-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001112585837 1001537003 /nfs/dbraw/zinc/53/70/03/1001537003.db2.gz UHELNPUOPZUSJO-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](OCC)C1 ZINC001087058671 1001758656 /nfs/dbraw/zinc/75/86/56/1001758656.db2.gz WFPMQJFYNODGBN-HSALFYBXSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1)N(C)C ZINC001091780438 1001905883 /nfs/dbraw/zinc/90/58/83/1001905883.db2.gz KERCXQVXRXXXGT-XPNTWCBSSA-N 1 3 369.553 2.796 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1)N(C)C ZINC001091780438 1001905894 /nfs/dbraw/zinc/90/58/94/1001905894.db2.gz KERCXQVXRXXXGT-XPNTWCBSSA-N 1 3 369.553 2.796 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC001182705131 1002020750 /nfs/dbraw/zinc/02/07/50/1002020750.db2.gz VDDMJIJSOQHXHQ-YZDRJCRTSA-N 1 3 359.514 2.925 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](C/C=C/c4ccccc4)C[C@@]3(C)C2)C1 ZINC001092010693 1002278647 /nfs/dbraw/zinc/27/86/47/1002278647.db2.gz JOBBHXVIKJJGRR-ROVMIQBKSA-N 1 3 367.537 2.822 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](C/C=C/c4ccccc4)C[C@@]3(C)C2)C1 ZINC001092010693 1002278655 /nfs/dbraw/zinc/27/86/55/1002278655.db2.gz JOBBHXVIKJJGRR-ROVMIQBKSA-N 1 3 367.537 2.822 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c1 ZINC001092011522 1002280780 /nfs/dbraw/zinc/28/07/80/1002280780.db2.gz YHELIKCURPHTLG-AAIMPIBUSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c1 ZINC001092011522 1002280793 /nfs/dbraw/zinc/28/07/93/1002280793.db2.gz YHELIKCURPHTLG-AAIMPIBUSA-N 1 3 369.553 2.926 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001092071242 1002368090 /nfs/dbraw/zinc/36/80/90/1002368090.db2.gz MSRAUFYSJBNIJU-URVUXULASA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001092071242 1002368104 /nfs/dbraw/zinc/36/81/04/1002368104.db2.gz MSRAUFYSJBNIJU-URVUXULASA-N 1 3 370.541 2.625 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+]([C@@H]1CCc3c1cccc3F)C2 ZINC001092049350 1002396223 /nfs/dbraw/zinc/39/62/23/1002396223.db2.gz ALHYISRMBURHEO-MMACOIQUSA-N 1 3 368.456 2.559 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+]([C@@H]1CCc3c1cccc3F)C2 ZINC001092049350 1002396232 /nfs/dbraw/zinc/39/62/32/1002396232.db2.gz ALHYISRMBURHEO-MMACOIQUSA-N 1 3 368.456 2.559 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4ccc(Cl)cc4)C[C@@]3(C)C2)C1 ZINC001092273866 1002578809 /nfs/dbraw/zinc/57/88/09/1002578809.db2.gz USLHKRCMORWOCP-QKLQHJQFSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4ccc(Cl)cc4)C[C@@]3(C)C2)C1 ZINC001092273866 1002578821 /nfs/dbraw/zinc/57/88/21/1002578821.db2.gz USLHKRCMORWOCP-QKLQHJQFSA-N 1 3 361.917 2.572 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncccc3C)C[C@@]2(C)C1 ZINC001092301399 1002631159 /nfs/dbraw/zinc/63/11/59/1002631159.db2.gz GWWKVOSRZCBXKR-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncccc3C)C[C@@]2(C)C1 ZINC001092301399 1002631162 /nfs/dbraw/zinc/63/11/62/1002631162.db2.gz GWWKVOSRZCBXKR-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001092301773 1002633001 /nfs/dbraw/zinc/63/30/01/1002633001.db2.gz MTELQWFVBBTKRP-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001092301773 1002633008 /nfs/dbraw/zinc/63/30/08/1002633008.db2.gz MTELQWFVBBTKRP-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001092302242 1002634146 /nfs/dbraw/zinc/63/41/46/1002634146.db2.gz UWZLXJMKDJTNOB-URVUXULASA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001092302242 1002634152 /nfs/dbraw/zinc/63/41/52/1002634152.db2.gz UWZLXJMKDJTNOB-URVUXULASA-N 1 3 355.526 2.841 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001186196371 1003216695 /nfs/dbraw/zinc/21/66/95/1003216695.db2.gz JBSDIMOPTFOMLF-MISYRCLQSA-N 1 3 363.521 2.954 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001186196371 1003216706 /nfs/dbraw/zinc/21/67/06/1003216706.db2.gz JBSDIMOPTFOMLF-MISYRCLQSA-N 1 3 363.521 2.954 20 0 FFADHO CC(C)(C)OC(=O)NCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000793243036 1003316815 /nfs/dbraw/zinc/31/68/15/1003316815.db2.gz ULBDUOHGYGYIGL-KDURUIRLSA-N 1 3 359.514 2.965 20 0 FFADHO CC(C)(C)OC(=O)NCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000793243036 1003316825 /nfs/dbraw/zinc/31/68/25/1003316825.db2.gz ULBDUOHGYGYIGL-KDURUIRLSA-N 1 3 359.514 2.965 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000793437690 1003370932 /nfs/dbraw/zinc/37/09/32/1003370932.db2.gz VBSHSJHRMMRXEU-UHFFFAOYSA-N 1 3 372.557 2.819 20 0 FFADHO CC(C)[C@H]1CN(C[C@H](C)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001196134466 1003674640 /nfs/dbraw/zinc/67/46/40/1003674640.db2.gz SDIXDPXACHARPI-IFMALSPDSA-N 1 3 359.558 2.797 20 0 FFADHO CC(C)[C@H]1CN(C[C@H](C)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001196134466 1003674649 /nfs/dbraw/zinc/67/46/49/1003674649.db2.gz SDIXDPXACHARPI-IFMALSPDSA-N 1 3 359.558 2.797 20 0 FFADHO Cn1ccc2nc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)ncc21 ZINC001170526295 1004607385 /nfs/dbraw/zinc/60/73/85/1004607385.db2.gz XKPWNIUEYHFNBT-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO Nc1cn2ccc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cc2n1 ZINC001170528326 1004632362 /nfs/dbraw/zinc/63/23/62/1004632362.db2.gz LORZJNUKULBQJE-UHFFFAOYSA-N 1 3 374.492 2.826 20 0 FFADHO Cc1nc2c(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cccn2n1 ZINC001170528557 1004645382 /nfs/dbraw/zinc/64/53/82/1004645382.db2.gz SBWRNGYUQNZLRU-UHFFFAOYSA-N 1 3 374.492 2.947 20 0 FFADHO CCc1onc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001488946261 1005383720 /nfs/dbraw/zinc/38/37/20/1005383720.db2.gz CSQREHMXCCDFID-FRQCXROJSA-N 1 3 364.534 2.506 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(Cl)s3)C2)C1 ZINC001488954561 1005385485 /nfs/dbraw/zinc/38/54/85/1005385485.db2.gz KACIMAMYYWOEQB-MELADBBJSA-N 1 3 370.950 2.513 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1cccc(OC(C)C)c1 ZINC001489132350 1005416829 /nfs/dbraw/zinc/41/68/29/1005416829.db2.gz IMKZZVMUACXPGD-VQTJNVASSA-N 1 3 361.530 2.895 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000850518152 1005820007 /nfs/dbraw/zinc/82/00/07/1005820007.db2.gz MCYZHJQBAQCOQI-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000850518152 1005820009 /nfs/dbraw/zinc/82/00/09/1005820009.db2.gz MCYZHJQBAQCOQI-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCCCC(F)(F)F)C[C@H]32)CC[N@@H+]1C ZINC001187958008 1006342504 /nfs/dbraw/zinc/34/25/04/1006342504.db2.gz DJYVJZXVDLWXKT-QKPAOTATSA-N 1 3 361.452 2.592 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CCCCC(F)(F)F)C[C@H]32)CC[N@H+]1C ZINC001187958008 1006342509 /nfs/dbraw/zinc/34/25/09/1006342509.db2.gz DJYVJZXVDLWXKT-QKPAOTATSA-N 1 3 361.452 2.592 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C)C[C@H]21 ZINC001188107405 1006415179 /nfs/dbraw/zinc/41/51/79/1006415179.db2.gz NSPSLJSKDUBTPD-XUVXKRRUSA-N 1 3 361.505 2.708 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C)C[C@H]21 ZINC001188107405 1006415185 /nfs/dbraw/zinc/41/51/85/1006415185.db2.gz NSPSLJSKDUBTPD-XUVXKRRUSA-N 1 3 361.505 2.708 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[NH2+]CCC34CCC4)cc2)CC1 ZINC000883524781 1006837288 /nfs/dbraw/zinc/83/72/88/1006837288.db2.gz IZEAZJMKPRSQCU-UHFFFAOYSA-N 1 3 371.529 2.578 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC3(CC2)OCCCO3)CC1 ZINC000816646153 1007147833 /nfs/dbraw/zinc/14/78/33/1007147833.db2.gz YVHYEDDMAVYENC-UHFFFAOYSA-N 1 3 373.541 2.948 20 0 FFADHO CCOc1ccc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[nH]c2c1 ZINC000855346334 1007294896 /nfs/dbraw/zinc/29/48/96/1007294896.db2.gz XBHOUKDPCUEEOH-HNNXBMFYSA-N 1 3 360.502 2.568 20 0 FFADHO CCOc1ccc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[nH]c2c1 ZINC000855346334 1007294903 /nfs/dbraw/zinc/29/49/03/1007294903.db2.gz XBHOUKDPCUEEOH-HNNXBMFYSA-N 1 3 360.502 2.568 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000855345647 1007295494 /nfs/dbraw/zinc/29/54/94/1007295494.db2.gz DVYQKIBRYCUSMH-AWEZNQCLSA-N 1 3 364.921 2.752 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000855345647 1007295509 /nfs/dbraw/zinc/29/55/09/1007295509.db2.gz DVYQKIBRYCUSMH-AWEZNQCLSA-N 1 3 364.921 2.752 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCc3ccccc3F)C[C@H]21 ZINC001189912865 1007347810 /nfs/dbraw/zinc/34/78/10/1007347810.db2.gz IOLVTNVGWABHQD-AZUAARDMSA-N 1 3 361.505 2.633 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCc3ccccc3F)C[C@H]21 ZINC001189912865 1007347822 /nfs/dbraw/zinc/34/78/22/1007347822.db2.gz IOLVTNVGWABHQD-AZUAARDMSA-N 1 3 361.505 2.633 20 0 FFADHO COc1cccc([C@H](O)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817905732 1007806083 /nfs/dbraw/zinc/80/60/83/1007806083.db2.gz RZLDTSMSTXMYDP-ZVDOUQERSA-N 1 3 354.450 2.574 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cc2)C1=O ZINC000817929080 1007806920 /nfs/dbraw/zinc/80/69/20/1007806920.db2.gz IUNNWDTXNWVIDQ-DBXWQHBBSA-N 1 3 370.497 2.661 20 0 FFADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1cccc(N2CCOC2=O)c1 ZINC000817941340 1007819167 /nfs/dbraw/zinc/81/91/67/1007819167.db2.gz SXLXPYGRMQROFR-INIZCTEOSA-N 1 3 354.454 2.869 20 0 FFADHO N[C@H](CCC[NH3+])Nc1ccc2[nH]cc(C3=CCC4(CC3)OCCO4)c2c1 ZINC001170898975 1007898737 /nfs/dbraw/zinc/89/87/37/1007898737.db2.gz FTFVBJVPIQTNFI-IBGZPJMESA-N 1 3 356.470 2.914 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccccc3Cl)cc2)CC1 ZINC000818956091 1007994916 /nfs/dbraw/zinc/99/49/16/1007994916.db2.gz HQYRLOMKMJRNEL-NRFANRHFSA-N 1 3 373.928 2.911 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1C1CCCCC1 ZINC000820063825 1008276570 /nfs/dbraw/zinc/27/65/70/1008276570.db2.gz WAXJWDSSFRKHKD-INIZCTEOSA-N 1 3 364.538 2.782 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1C1CCCCC1 ZINC000820063825 1008276574 /nfs/dbraw/zinc/27/65/74/1008276574.db2.gz WAXJWDSSFRKHKD-INIZCTEOSA-N 1 3 364.538 2.782 20 0 FFADHO CC[C@@H](C)Oc1cc(NC2CCN(C3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC000858375898 1008352396 /nfs/dbraw/zinc/35/23/96/1008352396.db2.gz WYYHSLZRHIOCKM-OAHLLOKOSA-N 1 3 361.534 2.933 20 0 FFADHO COc1ccc(OC)c([C@H](O)CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859212731 1008488679 /nfs/dbraw/zinc/48/86/79/1008488679.db2.gz NNIVSVWBRLGBTC-HXUWFJFHSA-N 1 3 358.482 2.931 20 0 FFADHO Cc1cc(CN(C)[C@H]2CC[C@H]([N@H+](C)Cc3cc(C)n(C)n3)CC2)nn1C ZINC000886386858 1008661094 /nfs/dbraw/zinc/66/10/94/1008661094.db2.gz JQCYRHVEPHMJQN-MXVIHJGJSA-N 1 3 358.534 2.645 20 0 FFADHO Cc1cc(CN(C)[C@H]2CC[C@H]([N@@H+](C)Cc3cc(C)n(C)n3)CC2)nn1C ZINC000886386858 1008661106 /nfs/dbraw/zinc/66/11/06/1008661106.db2.gz JQCYRHVEPHMJQN-MXVIHJGJSA-N 1 3 358.534 2.645 20 0 FFADHO COC(=O)c1cncc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000886636515 1008785384 /nfs/dbraw/zinc/78/53/84/1008785384.db2.gz PIAXJKLLJJTJKY-MRXNPFEDSA-N 1 3 368.481 2.826 20 0 FFADHO CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000861342660 1009355356 /nfs/dbraw/zinc/35/53/56/1009355356.db2.gz WUKWXDPOCBKINC-PZJWPPBQSA-N 1 3 360.498 2.939 20 0 FFADHO COC(=O)c1cc(CN2CCC(C[NH3+])(c3ccccc3)CC2)cc(OC)c1 ZINC001206760963 1032412974 /nfs/dbraw/zinc/41/29/74/1032412974.db2.gz PZXFSZDXALSQHT-UHFFFAOYSA-N 1 3 368.477 2.974 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@H](CN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000151191346 1009808436 /nfs/dbraw/zinc/80/84/36/1009808436.db2.gz CBLBTZJWNKRQGO-QGZVFWFLSA-N 1 3 360.502 2.851 20 0 FFADHO Cc1nocc1CN1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093224474 1010167683 /nfs/dbraw/zinc/16/76/83/1010167683.db2.gz YGSLNFWCYNWMKO-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001093821189 1010592819 /nfs/dbraw/zinc/59/28/19/1010592819.db2.gz UTPXEXQJUBWYKN-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001093822432 1010593724 /nfs/dbraw/zinc/59/37/24/1010593724.db2.gz QPYLABIYQPJNOG-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1F ZINC001093824133 1010595437 /nfs/dbraw/zinc/59/54/37/1010595437.db2.gz HWYZZIWXIVWOSU-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO C[C@H](C(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088198 1010847365 /nfs/dbraw/zinc/84/73/65/1010847365.db2.gz HCABOOISTQUZHY-BRWVUGGUSA-N 1 3 364.559 2.592 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncs2)[C@H](C)C1 ZINC001094088938 1010849724 /nfs/dbraw/zinc/84/97/24/1010849724.db2.gz XCQVRZKFNCMZRZ-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001094131214 1010877056 /nfs/dbraw/zinc/87/70/56/1010877056.db2.gz VURSCGBEDMYSPP-FGTMMUONSA-N 1 3 371.516 2.838 20 0 FFADHO C[C@H]1CCc2ccc(F)cc2[C@@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000866262957 1010965665 /nfs/dbraw/zinc/96/56/65/1010965665.db2.gz JJYBHNACAPMQCD-YCRPNKLZSA-N 1 3 361.505 2.981 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001094430771 1011114121 /nfs/dbraw/zinc/11/41/21/1011114121.db2.gz VTPSBCINVYOSJB-ZBLFTQAYSA-N 1 3 353.938 2.974 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001094430771 1011114124 /nfs/dbraw/zinc/11/41/24/1011114124.db2.gz VTPSBCINVYOSJB-ZBLFTQAYSA-N 1 3 353.938 2.974 20 0 FFADHO C[NH+]1C(C)(C)CC(NCCC2(O)CN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171614386 1011402508 /nfs/dbraw/zinc/40/25/08/1011402508.db2.gz YSGJATSTKFZSNR-UHFFFAOYSA-N 1 3 369.550 2.599 20 0 FFADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)c3ccncc3)CC2)CC1(C)C ZINC001171625900 1011410938 /nfs/dbraw/zinc/41/09/38/1011410938.db2.gz PPNOQLGZXAZGRW-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3Cc4cccc(F)c4C3)c2)CC1 ZINC001171776087 1011467338 /nfs/dbraw/zinc/46/73/38/1011467338.db2.gz OEEQAEIRVIZFNX-FQEVSTJZSA-N 1 3 353.485 2.830 20 0 FFADHO CCOC(=O)C1(C)CCC(N2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001171946321 1011553211 /nfs/dbraw/zinc/55/32/11/1011553211.db2.gz MEZGHFWBFLOWQT-UHFFFAOYSA-N 1 3 359.514 2.929 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)CCN12 ZINC001172182722 1011658213 /nfs/dbraw/zinc/65/82/13/1011658213.db2.gz NUPVOFLYTQAXSV-DOIPELPJSA-N 1 3 353.510 2.594 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)CCN12 ZINC001172182722 1011658223 /nfs/dbraw/zinc/65/82/23/1011658223.db2.gz NUPVOFLYTQAXSV-DOIPELPJSA-N 1 3 353.510 2.594 20 0 FFADHO CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000646137167 1011763253 /nfs/dbraw/zinc/76/32/53/1011763253.db2.gz ULPNFWHTFUTUKE-PCCBWWKXSA-N 1 3 355.526 2.745 20 0 FFADHO CCOC(=O)C1CC[NH+](C2CCN([C@H](C)CCOC(C)C)CC2)CC1 ZINC001172444037 1011820204 /nfs/dbraw/zinc/82/02/04/1011820204.db2.gz RFZQGIUOKQXICV-QGZVFWFLSA-N 1 3 354.535 2.930 20 0 FFADHO Cc1c[nH+]ccc1N1CCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172686729 1011938855 /nfs/dbraw/zinc/93/88/55/1011938855.db2.gz HRAVPMWECKKBDE-FQEVSTJZSA-N 1 3 364.493 2.703 20 0 FFADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172757377 1011995669 /nfs/dbraw/zinc/99/56/69/1011995669.db2.gz WYZTVYICAZIFHX-GOSISDBHSA-N 1 3 361.530 2.644 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870182827 1012243339 /nfs/dbraw/zinc/24/33/39/1012243339.db2.gz LTKMSYRUGUMSEN-FQEVSTJZSA-N 1 3 355.526 2.867 20 0 FFADHO c1nc2c(s1)C[C@H]([N@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)CC2 ZINC001173138289 1012283677 /nfs/dbraw/zinc/28/36/77/1012283677.db2.gz NMSFOCXPWSQZRS-YQVWRLOYSA-N 1 3 361.555 2.823 20 0 FFADHO c1nc2c(s1)C[C@H]([N@@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)CC2 ZINC001173138289 1012283691 /nfs/dbraw/zinc/28/36/91/1012283691.db2.gz NMSFOCXPWSQZRS-YQVWRLOYSA-N 1 3 361.555 2.823 20 0 FFADHO c1nc2c(s1)C[C@H](N1C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C1)CC2 ZINC001173138289 1012283702 /nfs/dbraw/zinc/28/37/02/1012283702.db2.gz NMSFOCXPWSQZRS-YQVWRLOYSA-N 1 3 361.555 2.823 20 0 FFADHO c1nc2c(s1)C[C@H](N1C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C1)CC2 ZINC001173138289 1012283714 /nfs/dbraw/zinc/28/37/14/1012283714.db2.gz NMSFOCXPWSQZRS-YQVWRLOYSA-N 1 3 361.555 2.823 20 0 FFADHO CN1C[C@@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)[C@H](c2ccccc2)C1 ZINC000647248796 1012421589 /nfs/dbraw/zinc/42/15/89/1012421589.db2.gz FVZCKBVHLAWTIQ-UXHICEINSA-N 1 3 351.498 2.512 20 0 FFADHO CCSC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001173288655 1012433668 /nfs/dbraw/zinc/43/36/68/1012433668.db2.gz XKXDHYHKFOTRSL-WMZOPIPTSA-N 1 3 363.571 2.533 20 0 FFADHO COc1ccc([C@H](CC(C)C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000647288121 1012435440 /nfs/dbraw/zinc/43/54/40/1012435440.db2.gz MIMLDMPRPMCJKV-ICSRJNTNSA-N 1 3 361.530 2.959 20 0 FFADHO COc1ccc([C@H](CC(C)C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000647288121 1012435457 /nfs/dbraw/zinc/43/54/57/1012435457.db2.gz MIMLDMPRPMCJKV-ICSRJNTNSA-N 1 3 361.530 2.959 20 0 FFADHO CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001173605851 1012771856 /nfs/dbraw/zinc/77/18/56/1012771856.db2.gz HOPSLWKCGIVEBG-SKZNFHJNSA-N 1 3 364.530 2.731 20 0 FFADHO Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001275676147 1012830777 /nfs/dbraw/zinc/83/07/77/1012830777.db2.gz WHTDEBNWELJRCM-WOJBJXKFSA-N 1 3 354.498 2.603 20 0 FFADHO Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001275676147 1012830795 /nfs/dbraw/zinc/83/07/95/1012830795.db2.gz WHTDEBNWELJRCM-WOJBJXKFSA-N 1 3 354.498 2.603 20 0 FFADHO COCCC1([NH3+])CCN(C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001173677195 1012871911 /nfs/dbraw/zinc/87/19/11/1012871911.db2.gz NMMRIWMAZJIPEB-HZPDHXFCSA-N 1 3 369.550 2.993 20 0 FFADHO C[NH+](C)C1(C)CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000871359063 1012883839 /nfs/dbraw/zinc/88/38/39/1012883839.db2.gz RKAFKCPTUMBQDR-UHFFFAOYSA-N 1 3 372.557 2.578 20 0 FFADHO CC(C)c1ccc(CC[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001275756140 1012965521 /nfs/dbraw/zinc/96/55/21/1012965521.db2.gz FPDXGTPUWVYVCR-QFIPXVFZSA-N 1 3 357.542 2.839 20 0 FFADHO CC(C)c1ccc(CC[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001275756140 1012965533 /nfs/dbraw/zinc/96/55/33/1012965533.db2.gz FPDXGTPUWVYVCR-QFIPXVFZSA-N 1 3 357.542 2.839 20 0 FFADHO Cc1cc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c(C)cc1O ZINC001275770594 1012984824 /nfs/dbraw/zinc/98/48/24/1012984824.db2.gz JUYAIADYEBLMAN-OAQYLSRUSA-N 1 3 359.514 2.528 20 0 FFADHO Cc1cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c(C)cc1O ZINC001275770594 1012984827 /nfs/dbraw/zinc/98/48/27/1012984827.db2.gz JUYAIADYEBLMAN-OAQYLSRUSA-N 1 3 359.514 2.528 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001097209032 1017192789 /nfs/dbraw/zinc/19/27/89/1017192789.db2.gz BIJKXDNYLIAUAW-YSFYHYPLSA-N 1 3 369.553 2.929 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001097209032 1017192796 /nfs/dbraw/zinc/19/27/96/1017192796.db2.gz BIJKXDNYLIAUAW-YSFYHYPLSA-N 1 3 369.553 2.929 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1)C12CCC[NH+](CCC1)C2 ZINC001097317558 1017340604 /nfs/dbraw/zinc/34/06/04/1017340604.db2.gz DOUXKDOBKMUHJE-QRQLOZEOSA-N 1 3 373.566 2.888 20 0 FFADHO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000925437734 1017739429 /nfs/dbraw/zinc/73/94/29/1017739429.db2.gz FMILHOCRIKYHEC-RTWAWAEBSA-N 1 3 373.541 2.663 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000680092497 1017772399 /nfs/dbraw/zinc/77/23/99/1017772399.db2.gz HWEAHOOMPMTGEO-UWHLTILDSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000680092497 1017772409 /nfs/dbraw/zinc/77/24/09/1017772409.db2.gz HWEAHOOMPMTGEO-UWHLTILDSA-N 1 3 370.541 2.681 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001097695304 1017805034 /nfs/dbraw/zinc/80/50/34/1017805034.db2.gz WEIJGXOUWNDASP-YRXWBPOGSA-N 1 3 351.510 2.865 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001097695304 1017805049 /nfs/dbraw/zinc/80/50/49/1017805049.db2.gz WEIJGXOUWNDASP-YRXWBPOGSA-N 1 3 351.510 2.865 20 0 FFADHO Cc1noc(C)c1[C@@H](C)NCCOCC[NH2+][C@H](C)c1c(C)noc1C ZINC000680381355 1017957246 /nfs/dbraw/zinc/95/72/46/1017957246.db2.gz CULAKXPVVUEKRY-VXGBXAGGSA-N 1 3 350.463 2.914 20 0 FFADHO c1ccc(COc2ccccc2CN2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222086446 1032746628 /nfs/dbraw/zinc/74/66/28/1032746628.db2.gz XYGGTAOFHPRKRU-UHFFFAOYSA-N 1 3 351.494 2.793 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)c1C ZINC001110961123 1019260917 /nfs/dbraw/zinc/26/09/17/1019260917.db2.gz ROAURTHRUGPATD-QRVBRYPASA-N 1 3 359.514 2.567 20 0 FFADHO O[C@@H](COc1ccc2cc[nH]c2c1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000929278389 1019346812 /nfs/dbraw/zinc/34/68/12/1019346812.db2.gz XSPYHCFPUZCDLN-LJQANCHMSA-N 1 3 357.498 2.715 20 0 FFADHO Cc1cc(F)ccc1CN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045443231 1019970890 /nfs/dbraw/zinc/97/08/90/1019970890.db2.gz GKMAGOBDIGUJGO-VQIMIIECSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1cc(F)ccc1CN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045443231 1019970896 /nfs/dbraw/zinc/97/08/96/1019970896.db2.gz GKMAGOBDIGUJGO-VQIMIIECSA-N 1 3 361.505 2.945 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@H](O)[C@@H](CO)C1)c1ccccc1 ZINC000930736331 1020156032 /nfs/dbraw/zinc/15/60/32/1020156032.db2.gz ISFPAUUOUUKTBE-ZLNRFVROSA-N 1 3 368.521 2.577 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@H+]1CC[C@H](O)[C@@H](CO)C1)c1ccccc1 ZINC000930736331 1020156035 /nfs/dbraw/zinc/15/60/35/1020156035.db2.gz ISFPAUUOUUKTBE-ZLNRFVROSA-N 1 3 368.521 2.577 20 0 FFADHO C[C@@H](c1cccc(F)c1)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752730 1020304403 /nfs/dbraw/zinc/30/44/03/1020304403.db2.gz YXCDUAZLUFOKLC-FRQCXROJSA-N 1 3 359.489 2.761 20 0 FFADHO C[C@@H](c1cccc(F)c1)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752730 1020304405 /nfs/dbraw/zinc/30/44/05/1020304405.db2.gz YXCDUAZLUFOKLC-FRQCXROJSA-N 1 3 359.489 2.761 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnc(-c4ccco4)c3)CC2)CC1 ZINC000931216047 1020377477 /nfs/dbraw/zinc/37/74/77/1020377477.db2.gz ARBGZOCTVKHNGW-UHFFFAOYSA-N 1 3 368.481 2.630 20 0 FFADHO C[NH+](C)CC1(O)CCN(Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000931487115 1020487589 /nfs/dbraw/zinc/48/75/89/1020487589.db2.gz RNOXCKLEHJMOJU-UHFFFAOYSA-N 1 3 364.493 2.890 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3c(C)nsc3C)[C@@H]2C)CC[N@@H+]1C ZINC001074663048 1020663463 /nfs/dbraw/zinc/66/34/63/1020663463.db2.gz AXCXNSAAOYEUDC-QXRTWZOPSA-N 1 3 364.559 2.569 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3c(C)nsc3C)[C@@H]2C)CC[N@H+]1C ZINC001074663048 1020663467 /nfs/dbraw/zinc/66/34/67/1020663467.db2.gz AXCXNSAAOYEUDC-QXRTWZOPSA-N 1 3 364.559 2.569 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3sccc3Cl)[C@@H]2C)CC[N@@H+]1C ZINC001074661745 1020663604 /nfs/dbraw/zinc/66/36/04/1020663604.db2.gz JLMJOGHTBDYELC-COMQUAJESA-N 1 3 355.935 2.821 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3sccc3Cl)[C@@H]2C)CC[N@H+]1C ZINC001074661745 1020663608 /nfs/dbraw/zinc/66/36/08/1020663608.db2.gz JLMJOGHTBDYELC-COMQUAJESA-N 1 3 355.935 2.821 20 0 FFADHO OC1(CCN[C@@H]2CCCc3c[nH]nc32)CC[NH+](Cc2ccccc2)CC1 ZINC000903088556 1020671166 /nfs/dbraw/zinc/67/11/66/1020671166.db2.gz LFRJBPRGQYOOQG-LJQANCHMSA-N 1 3 354.498 2.794 20 0 FFADHO C[C@@H](CN1CCN(c2ccccc2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903099667 1020677979 /nfs/dbraw/zinc/67/79/79/1020677979.db2.gz LDZIHZMOTJDTRF-IZZOUOQSSA-N 1 3 368.569 2.945 20 0 FFADHO C[C@@H](CN1CCN(c2ccccc2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903099667 1020677983 /nfs/dbraw/zinc/67/79/83/1020677983.db2.gz LDZIHZMOTJDTRF-IZZOUOQSSA-N 1 3 368.569 2.945 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccc(Cl)cc2)C1 ZINC001098393625 1020868491 /nfs/dbraw/zinc/86/84/91/1020868491.db2.gz AHWLQDHZMUPSCR-OWYHZJEWSA-N 1 3 361.917 2.556 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccc(Cl)cc2)C1 ZINC001098393625 1020868495 /nfs/dbraw/zinc/86/84/95/1020868495.db2.gz AHWLQDHZMUPSCR-OWYHZJEWSA-N 1 3 361.917 2.556 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCCOC2)c1 ZINC001098460131 1020926584 /nfs/dbraw/zinc/92/65/84/1020926584.db2.gz ZCPLVEJLARYWSC-WLRLJWMZSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCCOC2)c1 ZINC001098460131 1020926587 /nfs/dbraw/zinc/92/65/87/1020926587.db2.gz ZCPLVEJLARYWSC-WLRLJWMZSA-N 1 3 371.525 2.510 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001098460522 1020927948 /nfs/dbraw/zinc/92/79/48/1020927948.db2.gz FSZTXCUWECOSPV-UKAVVXHISA-N 1 3 371.525 2.652 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001099254061 1022170519 /nfs/dbraw/zinc/17/05/19/1022170519.db2.gz FKFFCNHNOKCGRH-MWQQHZPXSA-N 1 3 373.463 2.806 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC3=CCCCC3)C2)CC[N@H+]1C ZINC001099254061 1022170524 /nfs/dbraw/zinc/17/05/24/1022170524.db2.gz FKFFCNHNOKCGRH-MWQQHZPXSA-N 1 3 373.463 2.806 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC001118540705 1022280170 /nfs/dbraw/zinc/28/01/70/1022280170.db2.gz LRXHGSQMWZYYCB-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC001118540705 1022280176 /nfs/dbraw/zinc/28/01/76/1022280176.db2.gz LRXHGSQMWZYYCB-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C(F)(F)F ZINC001099345569 1022336306 /nfs/dbraw/zinc/33/63/06/1022336306.db2.gz IRSVKVZICGTKNZ-IAGOWNOFSA-N 1 3 371.447 2.997 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCCCc3ccccc3)C2)C1=O ZINC001276371587 1022382520 /nfs/dbraw/zinc/38/25/20/1022382520.db2.gz VKSIRRXJISIHIB-JOCHJYFZSA-N 1 3 357.542 2.885 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCCCc3ccccc3)C2)C1=O ZINC001276371587 1022382534 /nfs/dbraw/zinc/38/25/34/1022382534.db2.gz VKSIRRXJISIHIB-JOCHJYFZSA-N 1 3 357.542 2.885 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001099447137 1022540760 /nfs/dbraw/zinc/54/07/60/1022540760.db2.gz WPIPEOZYBAVVKI-IPJJNNNSSA-N 1 3 361.574 2.981 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1 ZINC001099540296 1022713377 /nfs/dbraw/zinc/71/33/77/1022713377.db2.gz XKDMRTJDGXFEQC-UGKGYDQZSA-N 1 3 355.526 2.990 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C(O)(CC)CC)CC2)CC1 ZINC000829313262 1033095951 /nfs/dbraw/zinc/09/59/51/1033095951.db2.gz OOHCTXGIUFEQDI-UHFFFAOYSA-N 1 3 367.578 2.629 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](OC)c1ccccc1 ZINC001111307620 1023754739 /nfs/dbraw/zinc/75/47/39/1023754739.db2.gz NQSZHYOYSOKRJS-CGXNFDGLSA-N 1 3 373.541 2.828 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](OC)c1ccccc1 ZINC001111307620 1023754744 /nfs/dbraw/zinc/75/47/44/1023754744.db2.gz NQSZHYOYSOKRJS-CGXNFDGLSA-N 1 3 373.541 2.828 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001121424778 1023766559 /nfs/dbraw/zinc/76/65/59/1023766559.db2.gz PWBISAYTYVCSBC-OTWHNJEPSA-N 1 3 374.577 2.715 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001121424778 1023766563 /nfs/dbraw/zinc/76/65/63/1023766563.db2.gz PWBISAYTYVCSBC-OTWHNJEPSA-N 1 3 374.577 2.715 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001222799331 1033163282 /nfs/dbraw/zinc/16/32/82/1033163282.db2.gz HEGOMSRKIPWCGN-AQNXPRMDSA-N 1 3 361.505 2.789 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001222799331 1033163287 /nfs/dbraw/zinc/16/32/87/1033163287.db2.gz HEGOMSRKIPWCGN-AQNXPRMDSA-N 1 3 361.505 2.789 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC001123569199 1023872640 /nfs/dbraw/zinc/87/26/40/1023872640.db2.gz KVDXNDSWSCVEBV-FQEVSTJZSA-N 1 3 367.497 2.653 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001121653885 1023906580 /nfs/dbraw/zinc/90/65/80/1023906580.db2.gz FUXBMBJSTWZVDK-VEHMJYNQSA-N 1 3 374.577 2.632 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001121653885 1023906583 /nfs/dbraw/zinc/90/65/83/1023906583.db2.gz FUXBMBJSTWZVDK-VEHMJYNQSA-N 1 3 374.577 2.632 20 0 FFADHO CCOc1ccccc1[C@@H](N)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001121900126 1024151210 /nfs/dbraw/zinc/15/12/10/1024151210.db2.gz BKEKHSKTZGJBQC-QUCCMNQESA-N 1 3 367.493 2.866 20 0 FFADHO CCOc1ccccc1[C@@H](N)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121900126 1024151215 /nfs/dbraw/zinc/15/12/15/1024151215.db2.gz BKEKHSKTZGJBQC-QUCCMNQESA-N 1 3 367.493 2.866 20 0 FFADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1ccc2c(c1)OCCNC2 ZINC001122005285 1024258306 /nfs/dbraw/zinc/25/83/06/1024258306.db2.gz IYRZEKTVJNGJSJ-UHFFFAOYSA-N 1 3 357.498 2.696 20 0 FFADHO C[NH+](C)C1(CC(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@@]3(C)C2)CCCC1 ZINC001101313079 1024428892 /nfs/dbraw/zinc/42/88/92/1024428892.db2.gz VZZYNLGLTZHRRG-CTNGQTDRSA-N 1 3 370.541 2.626 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H](CC)OC)C[C@@]2(C)C1 ZINC001101395905 1024625940 /nfs/dbraw/zinc/62/59/40/1024625940.db2.gz WXUFERDZBNFEDA-SBHAEUEKSA-N 1 3 367.578 2.704 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@]2(C)C1 ZINC001101395905 1024625945 /nfs/dbraw/zinc/62/59/45/1024625945.db2.gz WXUFERDZBNFEDA-SBHAEUEKSA-N 1 3 367.578 2.704 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001102015937 1025301222 /nfs/dbraw/zinc/30/12/22/1025301222.db2.gz VUJWAEWBJNTMRU-SZVBFZGTSA-N 1 3 367.484 2.690 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001102015937 1025301225 /nfs/dbraw/zinc/30/12/25/1025301225.db2.gz VUJWAEWBJNTMRU-SZVBFZGTSA-N 1 3 367.484 2.690 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047261 1025354556 /nfs/dbraw/zinc/35/45/56/1025354556.db2.gz AHMLJXMFOPKGFS-FPDPHYFHSA-N 1 3 369.509 2.957 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047261 1025354566 /nfs/dbraw/zinc/35/45/66/1025354566.db2.gz AHMLJXMFOPKGFS-FPDPHYFHSA-N 1 3 369.509 2.957 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048513 1025356997 /nfs/dbraw/zinc/35/69/97/1025356997.db2.gz FLRGMKKKOISXRR-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048513 1025357011 /nfs/dbraw/zinc/35/70/11/1025357011.db2.gz FLRGMKKKOISXRR-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1C ZINC001102048964 1025357471 /nfs/dbraw/zinc/35/74/71/1025357471.db2.gz XSHKQVIKXPUBTJ-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1C ZINC001102048964 1025357479 /nfs/dbraw/zinc/35/74/79/1025357479.db2.gz XSHKQVIKXPUBTJ-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001102088182 1025412785 /nfs/dbraw/zinc/41/27/85/1025412785.db2.gz QMCRNZWLOCOWGJ-KBAYOESNSA-N 1 3 351.560 2.705 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001102088182 1025412790 /nfs/dbraw/zinc/41/27/90/1025412790.db2.gz QMCRNZWLOCOWGJ-KBAYOESNSA-N 1 3 351.560 2.705 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1C)N(C)C ZINC001102088067 1025413491 /nfs/dbraw/zinc/41/34/91/1025413491.db2.gz KVWHSEOHLZRCCS-QWFCFKBJSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1C)N(C)C ZINC001102088067 1025413499 /nfs/dbraw/zinc/41/34/99/1025413499.db2.gz KVWHSEOHLZRCCS-QWFCFKBJSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)CC[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000638124665 1025712405 /nfs/dbraw/zinc/71/24/05/1025712405.db2.gz UEYHWJFSLUAIDE-IBGZPJMESA-N 1 3 365.493 2.549 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330282 1025761874 /nfs/dbraw/zinc/76/18/74/1025761874.db2.gz MWZQRAHXVHHWBN-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330282 1025761888 /nfs/dbraw/zinc/76/18/88/1025761888.db2.gz MWZQRAHXVHHWBN-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO CC(C)[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc2c(c1)OCCO2 ZINC000638305404 1025775929 /nfs/dbraw/zinc/77/59/29/1025775929.db2.gz XANVCQGTJUUKAQ-FQEVSTJZSA-N 1 3 362.514 2.980 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1 ZINC001102368370 1025822901 /nfs/dbraw/zinc/82/29/01/1025822901.db2.gz QTKZOZLWNBAAEA-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1 ZINC001102368370 1025822920 /nfs/dbraw/zinc/82/29/20/1025822920.db2.gz QTKZOZLWNBAAEA-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377031 1025842882 /nfs/dbraw/zinc/84/28/82/1025842882.db2.gz KKDILSCHNHLCHE-IAGOWNOFSA-N 1 3 365.587 2.953 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377031 1025842897 /nfs/dbraw/zinc/84/28/97/1025842897.db2.gz KKDILSCHNHLCHE-IAGOWNOFSA-N 1 3 365.587 2.953 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428455 1025958615 /nfs/dbraw/zinc/95/86/15/1025958615.db2.gz DTMFAKTYERWPKY-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428455 1025958622 /nfs/dbraw/zinc/95/86/22/1025958622.db2.gz DTMFAKTYERWPKY-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC001102472194 1026038350 /nfs/dbraw/zinc/03/83/50/1026038350.db2.gz NOJGILLSKATFME-RTBURBONSA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC001102472194 1026038369 /nfs/dbraw/zinc/03/83/69/1026038369.db2.gz NOJGILLSKATFME-RTBURBONSA-N 1 3 355.567 2.608 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1C ZINC001102496229 1026130222 /nfs/dbraw/zinc/13/02/22/1026130222.db2.gz KTBHXKHANDFFIB-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1C ZINC001102496229 1026130229 /nfs/dbraw/zinc/13/02/29/1026130229.db2.gz KTBHXKHANDFFIB-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO C[C@@H]1CN(Cc2ccccn2)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612361 1026427950 /nfs/dbraw/zinc/42/79/50/1026427950.db2.gz FFKDUATURKLNNW-RTBURBONSA-N 1 3 358.530 2.532 20 0 FFADHO c1ccc(C(CN2CC[C@@H]3OCC[C@@H]3C2)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000639693703 1026434530 /nfs/dbraw/zinc/43/45/30/1026434530.db2.gz RHLMZCXTUZCRGV-SCPDWHHUSA-N 1 3 370.537 2.992 20 0 FFADHO c1ccc(C(CN2CC[C@@H]3OCC[C@@H]3C2)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000639693703 1026434534 /nfs/dbraw/zinc/43/45/34/1026434534.db2.gz RHLMZCXTUZCRGV-SCPDWHHUSA-N 1 3 370.537 2.992 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])c3ccc4ccccc4c3)[C@@H]2C1 ZINC000640234034 1026657459 /nfs/dbraw/zinc/65/74/59/1026657459.db2.gz KMDFGJZPAYBMOP-NSISKUIASA-N 1 3 352.482 2.575 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001102977227 1026849512 /nfs/dbraw/zinc/84/95/12/1026849512.db2.gz RGSOGYVSAIASSJ-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001102977227 1026849521 /nfs/dbraw/zinc/84/95/21/1026849521.db2.gz RGSOGYVSAIASSJ-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001103086598 1026946030 /nfs/dbraw/zinc/94/60/30/1026946030.db2.gz JUSUODWXKPMMAA-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001103086598 1026946037 /nfs/dbraw/zinc/94/60/37/1026946037.db2.gz JUSUODWXKPMMAA-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087747 1026948287 /nfs/dbraw/zinc/94/82/87/1026948287.db2.gz MSAHJHCORQRNAR-UIFIKXQLSA-N 1 3 357.542 2.644 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087747 1026948290 /nfs/dbraw/zinc/94/82/90/1026948290.db2.gz MSAHJHCORQRNAR-UIFIKXQLSA-N 1 3 357.542 2.644 20 0 FFADHO CCCCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCC[C@H](C)C1 ZINC000840090915 1026952736 /nfs/dbraw/zinc/95/27/36/1026952736.db2.gz NYIGVCPNIFZWMY-IRXDYDNUSA-N 1 3 364.534 2.641 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)c1ccc(C(F)(F)F)cc1 ZINC001158579504 1027066603 /nfs/dbraw/zinc/06/66/03/1027066603.db2.gz UGTUMCVVKPGBLW-VHDGCEQUSA-N 1 3 373.394 2.631 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000642030458 1027390256 /nfs/dbraw/zinc/39/02/56/1027390256.db2.gz LOCOYDNSKKYNBU-HLAWJBBLSA-N 1 3 370.541 2.600 20 0 FFADHO Cc1ccncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407482 1027416501 /nfs/dbraw/zinc/41/65/01/1027416501.db2.gz FHSOPOBHKHMCKS-QWFCFKBJSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1ccncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407482 1027416512 /nfs/dbraw/zinc/41/65/12/1027416512.db2.gz FHSOPOBHKHMCKS-QWFCFKBJSA-N 1 3 360.546 2.550 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1C)[NH+](C)C ZINC001103408770 1027420585 /nfs/dbraw/zinc/42/05/85/1027420585.db2.gz TVFSKWQOBBCNHN-IIAWOOMASA-N 1 3 364.361 2.966 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001159784065 1027496097 /nfs/dbraw/zinc/49/60/97/1027496097.db2.gz GUCRATQKGGONCU-JTQLQIEISA-N 1 3 350.200 2.599 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cc1 ZINC000643057164 1027833489 /nfs/dbraw/zinc/83/34/89/1027833489.db2.gz JQDLXZVWGJXNSX-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000643222150 1027891783 /nfs/dbraw/zinc/89/17/83/1027891783.db2.gz ACIXUQUQIMEDPA-UHFFFAOYSA-N 1 3 360.546 2.944 20 0 FFADHO CN(CCN(C)C(=O)[C@]1([NH3+])CCc2cc(F)ccc2C1)Cc1ccccc1 ZINC001161160648 1028041676 /nfs/dbraw/zinc/04/16/76/1028041676.db2.gz CWMGBXBTPIVNAC-QFIPXVFZSA-N 1 3 369.484 2.602 20 0 FFADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](N)Cc3ccc(C(C)(C)C)cc3)C[C@H]2C1 ZINC001161174762 1028052775 /nfs/dbraw/zinc/05/27/75/1028052775.db2.gz DZQPYXDRLFAVQB-WSTZPKSXSA-N 1 3 357.542 2.654 20 0 FFADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)Cc3ccc(C(C)(C)C)cc3)C[C@H]2C1 ZINC001161174762 1028052792 /nfs/dbraw/zinc/05/27/92/1028052792.db2.gz DZQPYXDRLFAVQB-WSTZPKSXSA-N 1 3 357.542 2.654 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722384 1028072033 /nfs/dbraw/zinc/07/20/33/1028072033.db2.gz KXLKBMVJVRQVRG-NVXWUHKLSA-N 1 3 365.468 2.635 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722384 1028072052 /nfs/dbraw/zinc/07/20/52/1028072052.db2.gz KXLKBMVJVRQVRG-NVXWUHKLSA-N 1 3 365.468 2.635 20 0 FFADHO CN(C)CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001161442945 1028177053 /nfs/dbraw/zinc/17/70/53/1028177053.db2.gz JAMURAOFEKBLMT-NRFANRHFSA-N 1 3 365.521 2.961 20 0 FFADHO CN[C@@H](COCc1ccccc1)C(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001161454583 1028184316 /nfs/dbraw/zinc/18/43/16/1028184316.db2.gz YEWMINYZBDRRMO-NRFANRHFSA-N 1 3 373.541 2.657 20 0 FFADHO O=C(c1csc2c1CCNC2)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161590694 1028243350 /nfs/dbraw/zinc/24/33/50/1028243350.db2.gz FTPPQGIBSNZKSJ-UHFFFAOYSA-N 1 3 367.518 2.671 20 0 FFADHO CC[C@H](C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C)OC ZINC001104195900 1028653667 /nfs/dbraw/zinc/65/36/67/1028653667.db2.gz AJVHTOGZSFDWSD-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCNC/C=C\Cl)CCc2ccccc2)CC[N@@H+]1C ZINC001162810055 1028664829 /nfs/dbraw/zinc/66/48/29/1028664829.db2.gz BZSRRZZKJKRKAW-XSJPHDHXSA-N 1 3 363.933 2.740 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCNC/C=C\Cl)CCc2ccccc2)CC[N@H+]1C ZINC001162810055 1028664839 /nfs/dbraw/zinc/66/48/39/1028664839.db2.gz BZSRRZZKJKRKAW-XSJPHDHXSA-N 1 3 363.933 2.740 20 0 FFADHO Cc1ccc2c(c1)[C@H](Nc1nncc3c1OCCN3C)CC21CC[NH2+]CC1 ZINC001163032656 1028766742 /nfs/dbraw/zinc/76/67/42/1028766742.db2.gz XUQJBYYFGOZFGE-QGZVFWFLSA-N 1 3 365.481 2.792 20 0 FFADHO Clc1cc(-n2cncc2CNCc2ccccc2)c2c(n1)C[NH2+]CC2 ZINC001156496725 1029220320 /nfs/dbraw/zinc/22/03/20/1029220320.db2.gz ULZBEEGOQAHKDY-UHFFFAOYSA-N 1 3 353.857 2.856 20 0 FFADHO C[NH+]1CCC(CN2CCN(C(C)(C)c3ccnc(Cl)c3)CC2)CC1 ZINC001157847987 1029675009 /nfs/dbraw/zinc/67/50/09/1029675009.db2.gz LTZDOWMFQYCRGS-UHFFFAOYSA-N 1 3 350.938 2.930 20 0 FFADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158028737 1029711431 /nfs/dbraw/zinc/71/14/31/1029711431.db2.gz VMQRCCCQRUCNMZ-RBBKRZOGSA-N 1 3 373.541 2.693 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3nc(Cl)nc4cccc(Cl)c43)CC2)C1 ZINC001158262814 1029777766 /nfs/dbraw/zinc/77/77/66/1029777766.db2.gz WEIYSPCLZXPMOE-LLVKDONJSA-N 1 3 366.296 2.938 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3nc(Cl)nc4cccc(Cl)c43)CC2)C1 ZINC001158262814 1029777775 /nfs/dbraw/zinc/77/77/75/1029777775.db2.gz WEIYSPCLZXPMOE-LLVKDONJSA-N 1 3 366.296 2.938 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3ncc(Cl)nc3-c3ccccc3)CC2)C1 ZINC001158268264 1029780479 /nfs/dbraw/zinc/78/04/79/1029780479.db2.gz KAQJHMHFKLWYIM-OAHLLOKOSA-N 1 3 357.889 2.799 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3ncc(Cl)nc3-c3ccccc3)CC2)C1 ZINC001158268264 1029780484 /nfs/dbraw/zinc/78/04/84/1029780484.db2.gz KAQJHMHFKLWYIM-OAHLLOKOSA-N 1 3 357.889 2.799 20 0 FFADHO [NH3+][C@@H](CC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1)Cc1ccccc1Cl ZINC001158336020 1029800886 /nfs/dbraw/zinc/80/08/86/1029800886.db2.gz GVLHKNXWBLPEAU-IMFGXOCKSA-N 1 3 369.896 2.698 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cc(Cl)sc2Cl)CC[N@@H+]1C ZINC001158380115 1029815439 /nfs/dbraw/zinc/81/54/39/1029815439.db2.gz NBHJGINWXANRGT-ZYHUDNBSSA-N 1 3 364.342 2.991 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cc(Cl)sc2Cl)CC[N@H+]1C ZINC001158380115 1029815444 /nfs/dbraw/zinc/81/54/44/1029815444.db2.gz NBHJGINWXANRGT-ZYHUDNBSSA-N 1 3 364.342 2.991 20 0 FFADHO CCOC(=O)c1c[nH+]c(NCC2CN(Cc3ccccc3)C2)cc1N(C)C ZINC001165427103 1029976871 /nfs/dbraw/zinc/97/68/71/1029976871.db2.gz JFVJLOVDQOPPRQ-UHFFFAOYSA-N 1 3 368.481 2.868 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(CC2(C[NH3+])CC2)CC1 ZINC000841098538 1030034643 /nfs/dbraw/zinc/03/46/43/1030034643.db2.gz IFJQRMAMMPBTDW-IRXDYDNUSA-N 1 3 367.534 2.510 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167212 1030131170 /nfs/dbraw/zinc/13/11/70/1030131170.db2.gz JBVFEDQTZAKQHF-RRFJBIMHSA-N 1 3 363.468 2.743 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001112166452 1030131972 /nfs/dbraw/zinc/13/19/72/1030131972.db2.gz VJGGPXYKXNDMBT-RRFJBIMHSA-N 1 3 363.468 2.743 20 0 FFADHO COC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354366 1030635302 /nfs/dbraw/zinc/63/53/02/1030635302.db2.gz FYEIHYOLSDRWOX-WFXMLNOXSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccc2c(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000842478563 1030755112 /nfs/dbraw/zinc/75/51/12/1030755112.db2.gz HWHFZTJLCINNKS-WIYYLYMNSA-N 1 3 356.466 2.820 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000798487238 1031433586 /nfs/dbraw/zinc/43/35/86/1031433586.db2.gz UEORVMXKTIARDW-UNMCSNQZSA-N 1 3 368.525 2.554 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798487238 1031433593 /nfs/dbraw/zinc/43/35/93/1031433593.db2.gz UEORVMXKTIARDW-UNMCSNQZSA-N 1 3 368.525 2.554 20 0 FFADHO C[C@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC001205386161 1031700662 /nfs/dbraw/zinc/70/06/62/1031700662.db2.gz YWXXZAAEIYUEGI-HOTGVXAUSA-N 1 3 354.560 2.586 20 0 FFADHO C[C@@H]1CCN(Cc2ccc(O)cc2I)CC[C@H]1C[NH3+] ZINC001205638079 1031897093 /nfs/dbraw/zinc/89/70/93/1031897093.db2.gz LCRSALVNJLDNOY-NEPJUHHUSA-N 1 3 374.266 2.804 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001205654244 1031908297 /nfs/dbraw/zinc/90/82/97/1031908297.db2.gz YKIRQKYJEIIRGX-XKGZKEIXSA-N 1 3 361.505 2.994 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC001205812992 1032011270 /nfs/dbraw/zinc/01/12/70/1032011270.db2.gz PWZDCXGOLYNWOS-WNKNEZEQSA-N 1 3 359.514 2.925 20 0 FFADHO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)Nc3cc([C@H]4CCCN4)no3)C2)c1 ZINC001218710149 1033294675 /nfs/dbraw/zinc/29/46/75/1033294675.db2.gz BVBDWGPLNXDOPD-NUJGCVRESA-N 1 3 354.454 2.567 20 0 FFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001218709742 1033295100 /nfs/dbraw/zinc/29/51/00/1033295100.db2.gz ABJFDQOFTZTHPJ-OXJNMPFZSA-N 1 3 354.454 2.650 20 0 FFADHO COc1cc2c(cc1NC(=O)[C@H](N)C1CC[NH2+]CC1)oc1ccccc12 ZINC001218964160 1033431092 /nfs/dbraw/zinc/43/10/92/1033431092.db2.gz QGZXPJFDNSXKRQ-LJQANCHMSA-N 1 3 353.422 2.860 20 0 FFADHO O=C(C[C@@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)Nc1cccc2c1CNC2 ZINC001218994149 1033446549 /nfs/dbraw/zinc/44/65/49/1033446549.db2.gz BYWFODDVFUDAIX-ZWKOTPCHSA-N 1 3 351.450 2.566 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@@H+]1C ZINC001223442809 1033447642 /nfs/dbraw/zinc/44/76/42/1033447642.db2.gz IJJVYTODEWMTLH-IXDOHACOSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@H+]1C ZINC001223442809 1033447644 /nfs/dbraw/zinc/44/76/44/1033447644.db2.gz IJJVYTODEWMTLH-IXDOHACOSA-N 1 3 364.559 2.913 20 0 FFADHO CC(C)Oc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(Cl)cc1Cl ZINC001219124162 1033524292 /nfs/dbraw/zinc/52/42/92/1033524292.db2.gz IHJJKZDEDNABCH-JTQLQIEISA-N 1 3 358.269 2.528 20 0 FFADHO CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2)CC1 ZINC001219353378 1033612030 /nfs/dbraw/zinc/61/20/30/1033612030.db2.gz ZWPKVGVDRYSBEE-UHFFFAOYSA-N 1 3 352.482 2.535 20 0 FFADHO O=C(Nc1ccccc1-c1ccc(Cl)cn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219399923 1033631815 /nfs/dbraw/zinc/63/18/15/1033631815.db2.gz CYWHRTMQZJCUOX-BFUOFWGJSA-N 1 3 356.857 2.540 20 0 FFADHO N[C@@H](CC(F)F)C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001219486868 1033666327 /nfs/dbraw/zinc/66/63/27/1033666327.db2.gz UFMBUPRHAUKOLA-SJORKVTESA-N 1 3 351.441 2.951 20 0 FFADHO [NH3+]C[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001219999344 1033934583 /nfs/dbraw/zinc/93/45/83/1033934583.db2.gz QHWPMDDGTBYELT-LEWJYISDSA-N 1 3 351.494 2.757 20 0 FFADHO CCCC[C@@H](CC)COCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220130715 1033995445 /nfs/dbraw/zinc/99/54/45/1033995445.db2.gz CGZNGYIXWADYMZ-MSOLQXFVSA-N 1 3 353.551 2.600 20 0 FFADHO CCCC[C@@H](CC)COCCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220130715 1033995456 /nfs/dbraw/zinc/99/54/56/1033995456.db2.gz CGZNGYIXWADYMZ-MSOLQXFVSA-N 1 3 353.551 2.600 20 0 FFADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161413 1034015904 /nfs/dbraw/zinc/01/59/04/1034015904.db2.gz CKHYAIDUVBGZBB-LZLYRXPVSA-N 1 3 369.431 2.614 20 0 FFADHO CN(C)c1ncc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001138350929 1034186681 /nfs/dbraw/zinc/18/66/81/1034186681.db2.gz CFANYYPPYFKZHB-UHFFFAOYSA-N 1 3 355.486 2.624 20 0 FFADHO CN(C)c1ncc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001138350929 1034186692 /nfs/dbraw/zinc/18/66/92/1034186692.db2.gz CFANYYPPYFKZHB-UHFFFAOYSA-N 1 3 355.486 2.624 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001225272100 1034187371 /nfs/dbraw/zinc/18/73/71/1034187371.db2.gz GPOOHBDNOANSLO-AZUAARDMSA-N 1 3 360.546 2.971 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001220667228 1034325263 /nfs/dbraw/zinc/32/52/63/1034325263.db2.gz XMQYNJXNBDHGPJ-LJQANCHMSA-N 1 3 360.546 2.882 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001225758564 1034397136 /nfs/dbraw/zinc/39/71/36/1034397136.db2.gz YJENZZTUWICPKO-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220805415 1034408811 /nfs/dbraw/zinc/40/88/11/1034408811.db2.gz RPBQHJARSLHDSY-CAOSSQGBSA-N 1 3 355.404 2.526 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1(CC2CCC2)CCOCC1 ZINC001221181029 1034589516 /nfs/dbraw/zinc/58/95/16/1034589516.db2.gz ADWVFUZWLBSEBY-SFHVURJKSA-N 1 3 353.551 2.585 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001226267453 1034601377 /nfs/dbraw/zinc/60/13/77/1034601377.db2.gz IKUMRKHXQDLYMH-QZTJIDSGSA-N 1 3 353.551 2.693 20 0 FFADHO O=C(C[C@@H]1CCNC[C@@H]1F)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205523 1034602679 /nfs/dbraw/zinc/60/26/79/1034602679.db2.gz XUTKHNCXESIVON-ZYSHUDEJSA-N 1 3 365.468 2.710 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1)N1CCCCC1 ZINC001226275970 1034607946 /nfs/dbraw/zinc/60/79/46/1034607946.db2.gz SWQVKACLQCIBIV-RTBURBONSA-N 1 3 365.562 2.837 20 0 FFADHO CN1CCC[C@](C)(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC001221240979 1034620137 /nfs/dbraw/zinc/62/01/37/1034620137.db2.gz JUFCXUJRBYACDG-RYRKJORJSA-N 1 3 369.431 2.609 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC(N3CC(F)(F)C3)CC2)cc1 ZINC001138773092 1034640802 /nfs/dbraw/zinc/64/08/02/1034640802.db2.gz QDZCIBXGVRWLAM-UHFFFAOYSA-N 1 3 353.457 2.542 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CCCCN2C2CC2)([NH+](C)C)C1 ZINC001221294350 1034655452 /nfs/dbraw/zinc/65/54/52/1034655452.db2.gz QUTXXQPHWPEVJK-IMFGXOCKSA-N 1 3 350.551 2.813 20 0 FFADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H](COCc2ccccc2)NC)CC1 ZINC001221395102 1034707346 /nfs/dbraw/zinc/70/73/46/1034707346.db2.gz MHFONQXSWWZMMT-ZCNNSNEGSA-N 1 3 361.530 2.560 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)nc2)CCC1 ZINC001226781888 1034837188 /nfs/dbraw/zinc/83/71/88/1034837188.db2.gz DUGJQVQITXOVTH-HZPDHXFCSA-N 1 3 364.921 2.736 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001226793212 1034844340 /nfs/dbraw/zinc/84/43/40/1034844340.db2.gz ZZLGAGOLVMVVJV-BZUAXINKSA-N 1 3 357.489 2.923 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F)C1CCC1 ZINC001226823951 1034853994 /nfs/dbraw/zinc/85/39/94/1034853994.db2.gz FXJMHMRCAQLGTB-RTBURBONSA-N 1 3 365.468 2.966 20 0 FFADHO CCOC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)N(C)CC)C1 ZINC001227149916 1034951772 /nfs/dbraw/zinc/95/17/72/1034951772.db2.gz HPAHGBRRDSAMDJ-OPQOLIRYSA-N 1 3 353.551 2.549 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC001221657421 1034958119 /nfs/dbraw/zinc/95/81/19/1034958119.db2.gz VFUMVYJXSKCUGN-BZUAXINKSA-N 1 3 357.489 2.685 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC001221657421 1034958126 /nfs/dbraw/zinc/95/81/26/1034958126.db2.gz VFUMVYJXSKCUGN-BZUAXINKSA-N 1 3 357.489 2.685 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)cc1 ZINC001221791484 1035072683 /nfs/dbraw/zinc/07/26/83/1035072683.db2.gz NVORFAYJBKOMFW-NHCUHLMSSA-N 1 3 357.542 2.870 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3ccc(-c4ccccc4)nc3)CC2)CC1 ZINC001139517914 1035144577 /nfs/dbraw/zinc/14/45/77/1035144577.db2.gz GFTDRVWWRRISRN-UHFFFAOYSA-N 1 3 350.510 2.960 20 0 FFADHO COc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc1Cl ZINC001139615940 1035180393 /nfs/dbraw/zinc/18/03/93/1035180393.db2.gz RMAAHADEAXNFOA-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1)C1CCC1 ZINC001227900068 1035793548 /nfs/dbraw/zinc/79/35/48/1035793548.db2.gz HBMZJCVJCLSQES-QRVBRYPASA-N 1 3 365.562 2.693 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001228239379 1036008778 /nfs/dbraw/zinc/00/87/78/1036008778.db2.gz RAEQFWHDQIAEMV-RTBURBONSA-N 1 3 361.505 2.993 20 0 FFADHO COc1ccc(F)cc1CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254878 1036018177 /nfs/dbraw/zinc/01/81/77/1036018177.db2.gz LBDXXVOWGZRMAM-QZTJIDSGSA-N 1 3 365.493 2.693 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3cncc(-c4ccccc4)c3)CC2)CC1 ZINC001232901817 1036141577 /nfs/dbraw/zinc/14/15/77/1036141577.db2.gz RQVUPNPCKCQDRJ-UHFFFAOYSA-N 1 3 350.510 2.960 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001228602279 1036199401 /nfs/dbraw/zinc/19/94/01/1036199401.db2.gz GZQQXITYCOQXJM-HLIPFELVSA-N 1 3 371.541 2.643 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC001229231774 1036566717 /nfs/dbraw/zinc/56/67/17/1036566717.db2.gz VCVPGTAHXBEEBT-RTBURBONSA-N 1 3 367.484 2.866 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001233625869 1036699334 /nfs/dbraw/zinc/69/93/34/1036699334.db2.gz RNBKXKNWPAKJMM-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001233625869 1036699343 /nfs/dbraw/zinc/69/93/43/1036699343.db2.gz RNBKXKNWPAKJMM-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(C)s1 ZINC001229853234 1036936637 /nfs/dbraw/zinc/93/66/37/1036936637.db2.gz PNDJHKPYFSBIMX-IAGOWNOFSA-N 1 3 352.548 2.700 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(C)s1 ZINC001229853234 1036936654 /nfs/dbraw/zinc/93/66/54/1036936654.db2.gz PNDJHKPYFSBIMX-IAGOWNOFSA-N 1 3 352.548 2.700 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3cccc4c3CCCC4)C2)C1=O ZINC001277837380 1036958402 /nfs/dbraw/zinc/95/84/02/1036958402.db2.gz WIAKKBYIBKYJLW-JOCHJYFZSA-N 1 3 355.526 2.551 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3cccc4c3CCCC4)C2)C1=O ZINC001277837380 1036958406 /nfs/dbraw/zinc/95/84/06/1036958406.db2.gz WIAKKBYIBKYJLW-JOCHJYFZSA-N 1 3 355.526 2.551 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001207261924 1037294330 /nfs/dbraw/zinc/29/43/30/1037294330.db2.gz CLCNOPAAONOZPG-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001207261924 1037294344 /nfs/dbraw/zinc/29/43/44/1037294344.db2.gz CLCNOPAAONOZPG-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001207261922 1037294709 /nfs/dbraw/zinc/29/47/09/1037294709.db2.gz CLCNOPAAONOZPG-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001207261922 1037294728 /nfs/dbraw/zinc/29/47/28/1037294728.db2.gz CLCNOPAAONOZPG-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001207263634 1037297465 /nfs/dbraw/zinc/29/74/65/1037297465.db2.gz YGYXSHBFGNONHL-BPQIPLTHSA-N 1 3 369.550 2.797 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001207263634 1037297477 /nfs/dbraw/zinc/29/74/77/1037297477.db2.gz YGYXSHBFGNONHL-BPQIPLTHSA-N 1 3 369.550 2.797 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1ccccc1)CCO2 ZINC001207281004 1037312046 /nfs/dbraw/zinc/31/20/46/1037312046.db2.gz XRIVQZPUAWBCAZ-SIKLNZKXSA-N 1 3 373.541 2.628 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1ccccc1)CCO2 ZINC001207281004 1037312055 /nfs/dbraw/zinc/31/20/55/1037312055.db2.gz XRIVQZPUAWBCAZ-SIKLNZKXSA-N 1 3 373.541 2.628 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001235081935 1037351764 /nfs/dbraw/zinc/35/17/64/1037351764.db2.gz SCIOUJUYVDEGLH-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001235081935 1037351777 /nfs/dbraw/zinc/35/17/77/1037351777.db2.gz SCIOUJUYVDEGLH-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO Brc1ccc2c(c1CN1CCC3(CC[NH2+]C3)CC1)OCO2 ZINC001235104882 1037362967 /nfs/dbraw/zinc/36/29/67/1037362967.db2.gz WHJGBJNWXJKTFZ-UHFFFAOYSA-N 1 3 353.260 2.753 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001207649692 1037631851 /nfs/dbraw/zinc/63/18/51/1037631851.db2.gz BUGQSLKYCWRHKA-NXHRZFHOSA-N 1 3 351.560 2.703 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001207649692 1037631859 /nfs/dbraw/zinc/63/18/59/1037631859.db2.gz BUGQSLKYCWRHKA-NXHRZFHOSA-N 1 3 351.560 2.703 20 0 FFADHO [NH3+]Cc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235595034 1037636805 /nfs/dbraw/zinc/63/68/05/1037636805.db2.gz BEKRRYGHPAUIKL-CTNGQTDRSA-N 1 3 355.457 2.622 20 0 FFADHO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)cc2c1CNC2 ZINC001235618900 1037647900 /nfs/dbraw/zinc/64/79/00/1037647900.db2.gz MHAQDPPAJUJMOT-FGZHOGPDSA-N 1 3 356.510 2.945 20 0 FFADHO c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)cc2c1CNC2 ZINC001235618900 1037647908 /nfs/dbraw/zinc/64/79/08/1037647908.db2.gz MHAQDPPAJUJMOT-FGZHOGPDSA-N 1 3 356.510 2.945 20 0 FFADHO Cc1ccc(O[C@H]2CCCN(Cc3ccc(N4CC[NH2+]CC4)nc3)C2)cc1 ZINC001235688066 1037682963 /nfs/dbraw/zinc/68/29/63/1037682963.db2.gz MICRWKBHVUFRSI-NRFANRHFSA-N 1 3 366.509 2.843 20 0 FFADHO Cc1c[nH+]ccc1N1CCN(CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207772134 1037712844 /nfs/dbraw/zinc/71/28/44/1037712844.db2.gz BNWBUYHJHLBXFY-UHFFFAOYSA-N 1 3 360.502 2.769 20 0 FFADHO CC(C)(C)OC(=O)N1CC(C)([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001207814494 1037746332 /nfs/dbraw/zinc/74/63/32/1037746332.db2.gz XTUQBZLCVDXKGF-UHFFFAOYSA-N 1 3 367.534 2.619 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCN[C@H](c3cccc(Br)c3)C2)C1 ZINC001235796740 1037749922 /nfs/dbraw/zinc/74/99/22/1037749922.db2.gz VGOIQLZMVRSQNA-PBHICJAKSA-N 1 3 352.320 2.737 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCN[C@H](c3cccc(Br)c3)C2)C1 ZINC001235796740 1037749937 /nfs/dbraw/zinc/74/99/37/1037749937.db2.gz VGOIQLZMVRSQNA-PBHICJAKSA-N 1 3 352.320 2.737 20 0 FFADHO Fc1c(CN2CCCCC2)cccc1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001236002399 1037882262 /nfs/dbraw/zinc/88/22/62/1037882262.db2.gz IXGTXXHEKFSEGR-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001236183792 1037972044 /nfs/dbraw/zinc/97/20/44/1037972044.db2.gz JBEVDJYMOFSVJH-VBSBHUPXSA-N 1 3 363.496 2.931 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001236183792 1037972048 /nfs/dbraw/zinc/97/20/48/1037972048.db2.gz JBEVDJYMOFSVJH-VBSBHUPXSA-N 1 3 363.496 2.931 20 0 FFADHO COC(=O)c1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236320907 1038043039 /nfs/dbraw/zinc/04/30/39/1038043039.db2.gz HWMPQKRDCXKMMQ-OKILXGFUSA-N 1 3 367.287 2.667 20 0 FFADHO Cc1csc(CN(CCN2CCOCC2)CC2CC[NH2+]CC2)c1Cl ZINC001236399678 1038069041 /nfs/dbraw/zinc/06/90/41/1038069041.db2.gz PWEVGZILBZGGIE-UHFFFAOYSA-N 1 3 371.978 2.844 20 0 FFADHO COc1ccc(CN(C[C@@H]2[C@@H](C)CNCC2(F)F)C2CC[NH2+]CC2)cc1 ZINC001236441142 1038090902 /nfs/dbraw/zinc/09/09/02/1038090902.db2.gz RNBHFHMXINUVDK-HNAYVOBHSA-N 1 3 367.484 2.740 20 0 FFADHO COc1ccc(OC2CCN(Cc3ccc4c(c3)CC[NH2+]C4)CC2)nc1 ZINC001236662840 1038179215 /nfs/dbraw/zinc/17/92/15/1038179215.db2.gz GUYCTVKHPZRQNA-UHFFFAOYSA-N 1 3 353.466 2.779 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001255903210 1038237195 /nfs/dbraw/zinc/23/71/95/1038237195.db2.gz GVOSZKFFFXGQCZ-BZSNNMDCSA-N 1 3 367.534 2.619 20 0 FFADHO CNCC[N@H+](C1CCN(Cc2c(OC)cccc2OC)CC1)C(C)(C)C ZINC001255940018 1038265970 /nfs/dbraw/zinc/26/59/70/1038265970.db2.gz LQASOYLVOLEYLY-UHFFFAOYSA-N 1 3 363.546 2.988 20 0 FFADHO CNCC[N@@H+](C1CCN(Cc2c(OC)cccc2OC)CC1)C(C)(C)C ZINC001255940018 1038265979 /nfs/dbraw/zinc/26/59/79/1038265979.db2.gz LQASOYLVOLEYLY-UHFFFAOYSA-N 1 3 363.546 2.988 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H]3OCCC[C@@]3(COc3ncccc3F)C2)CC1 ZINC001256207310 1038432119 /nfs/dbraw/zinc/43/21/19/1038432119.db2.gz HMDWSEVHDDKHPK-ICSRJNTNSA-N 1 3 363.477 2.565 20 0 FFADHO CC[NH+]1CCC(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001208598397 1038436577 /nfs/dbraw/zinc/43/65/77/1038436577.db2.gz AEPRSPRCFVFEPE-TZIWHRDSSA-N 1 3 361.505 2.695 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C1 ZINC001208608186 1038442935 /nfs/dbraw/zinc/44/29/35/1038442935.db2.gz RIIATOBDEJUYBP-ABSDTBQOSA-N 1 3 369.525 2.999 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C1 ZINC001208608186 1038442940 /nfs/dbraw/zinc/44/29/40/1038442940.db2.gz RIIATOBDEJUYBP-ABSDTBQOSA-N 1 3 369.525 2.999 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)C1 ZINC001208610860 1038445039 /nfs/dbraw/zinc/44/50/39/1038445039.db2.gz ANYNYXYLTMJNLF-MJGOQNOKSA-N 1 3 364.484 2.961 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)C1 ZINC001208610860 1038445041 /nfs/dbraw/zinc/44/50/41/1038445041.db2.gz ANYNYXYLTMJNLF-MJGOQNOKSA-N 1 3 364.484 2.961 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)C1 ZINC001208611114 1038446229 /nfs/dbraw/zinc/44/62/29/1038446229.db2.gz UQXKZYWHDGHPNY-ZVDOUQERSA-N 1 3 359.514 2.673 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)C1 ZINC001208611114 1038446233 /nfs/dbraw/zinc/44/62/33/1038446233.db2.gz UQXKZYWHDGHPNY-ZVDOUQERSA-N 1 3 359.514 2.673 20 0 FFADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001208816308 1038542233 /nfs/dbraw/zinc/54/22/33/1038542233.db2.gz XZSMMACFWRBCQF-HXUWFJFHSA-N 1 3 374.525 2.921 20 0 FFADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001208816308 1038542239 /nfs/dbraw/zinc/54/22/39/1038542239.db2.gz XZSMMACFWRBCQF-HXUWFJFHSA-N 1 3 374.525 2.921 20 0 FFADHO C[NH+](C)CCCN1CCN(CCCc2cccc(Br)c2)CC1 ZINC001208825290 1038543800 /nfs/dbraw/zinc/54/38/00/1038543800.db2.gz DBRWIAOHPAGSRR-UHFFFAOYSA-N 1 3 368.363 2.951 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCC(N3CCN(C)CC3)CC2)CCN1Cc1ccccc1 ZINC001256550517 1038555599 /nfs/dbraw/zinc/55/55/99/1038555599.db2.gz MUMBCFFSEQZFSP-OFNKIYASSA-N 1 3 370.585 2.751 20 0 FFADHO c1ccc(CN2CCC(N(c3ncccn3)C3CC[NH2+]CC3)CC2)cc1 ZINC001256610746 1038580279 /nfs/dbraw/zinc/58/02/79/1038580279.db2.gz GPGIBMLZACRCKF-UHFFFAOYSA-N 1 3 351.498 2.700 20 0 FFADHO Fc1ccccc1Cn1cncc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256680946 1038600778 /nfs/dbraw/zinc/60/07/78/1038600778.db2.gz FWOCZORPZRNHBB-UHFFFAOYSA-N 1 3 372.488 2.804 20 0 FFADHO OC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001256682546 1038600830 /nfs/dbraw/zinc/60/08/30/1038600830.db2.gz KVABCVZEMWEPJJ-ABHNRTSZSA-N 1 3 372.431 2.972 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@@H+]3CCCN(c4ncccn4)CC3)C2)cc1 ZINC001208949320 1038601179 /nfs/dbraw/zinc/60/11/79/1038601179.db2.gz KVCMVFQSFMDNNT-FQEVSTJZSA-N 1 3 351.498 2.511 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@H+]3CCCN(c4ncccn4)CC3)C2)cc1 ZINC001208949320 1038601180 /nfs/dbraw/zinc/60/11/80/1038601180.db2.gz KVCMVFQSFMDNNT-FQEVSTJZSA-N 1 3 351.498 2.511 20 0 FFADHO CC1=NC2(CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)C(=O)N1C ZINC001208946313 1038601264 /nfs/dbraw/zinc/60/12/64/1038601264.db2.gz URCJBVFUFCFTIV-HXUWFJFHSA-N 1 3 368.525 2.624 20 0 FFADHO CC1=NC2(CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)C(=O)N1C ZINC001208946313 1038601267 /nfs/dbraw/zinc/60/12/67/1038601267.db2.gz URCJBVFUFCFTIV-HXUWFJFHSA-N 1 3 368.525 2.624 20 0 FFADHO Cc1cncnc1O[C@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956487 1038606872 /nfs/dbraw/zinc/60/68/72/1038606872.db2.gz AWLXNTRQWUHCLF-UXHICEINSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cncnc1O[C@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956487 1038606880 /nfs/dbraw/zinc/60/68/80/1038606880.db2.gz AWLXNTRQWUHCLF-UXHICEINSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cccnc1N(C1CC[NH2+]CC1)C1CCC(N2CCOCC2)CC1 ZINC001256699870 1038607830 /nfs/dbraw/zinc/60/78/30/1038607830.db2.gz OTGLEXZIEKWILD-UHFFFAOYSA-N 1 3 358.530 2.592 20 0 FFADHO CS(=O)(=O)c1ccc(CCN[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256899831 1038649774 /nfs/dbraw/zinc/64/97/74/1038649774.db2.gz WOEIMLHVIKMUJR-KRWDZBQOSA-N 1 3 350.528 2.629 20 0 FFADHO CS(=O)(=O)c1ccc(CCN[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256899831 1038649775 /nfs/dbraw/zinc/64/97/75/1038649775.db2.gz WOEIMLHVIKMUJR-KRWDZBQOSA-N 1 3 350.528 2.629 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001257027974 1038682462 /nfs/dbraw/zinc/68/24/62/1038682462.db2.gz PRXCMYFHZFUUMD-SFTDATJTSA-N 1 3 373.541 2.646 20 0 FFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccnc(Cl)c3)C2)C1 ZINC001279004867 1038758981 /nfs/dbraw/zinc/75/89/81/1038758981.db2.gz WHWLPBFHCJUYHO-IBGZPJMESA-N 1 3 350.938 2.975 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN[C@]2(C)CCC[NH2+]CC2)cc1 ZINC001245987862 1039176976 /nfs/dbraw/zinc/17/69/76/1039176976.db2.gz CQUONSOBFHMABJ-WIYYLYMNSA-N 1 3 362.514 2.624 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCC(F)(F)C(F)F ZINC001251584121 1039190920 /nfs/dbraw/zinc/19/09/20/1039190920.db2.gz SLAVUDDWFJRQNW-KKUMJFAQSA-N 1 3 370.431 2.603 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)COCC(F)(F)C(F)F ZINC001251584121 1039190923 /nfs/dbraw/zinc/19/09/23/1039190923.db2.gz SLAVUDDWFJRQNW-KKUMJFAQSA-N 1 3 370.431 2.603 20 0 FFADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1C[C@H](O)COCC(F)(F)C(F)F ZINC001251584121 1039190926 /nfs/dbraw/zinc/19/09/26/1039190926.db2.gz SLAVUDDWFJRQNW-KKUMJFAQSA-N 1 3 370.431 2.603 20 0 FFADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1C[C@H](O)COCC(F)(F)C(F)F ZINC001251584121 1039190928 /nfs/dbraw/zinc/19/09/28/1039190928.db2.gz SLAVUDDWFJRQNW-KKUMJFAQSA-N 1 3 370.431 2.603 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001246023959 1039198748 /nfs/dbraw/zinc/19/87/48/1039198748.db2.gz SUPDAQBXIHDHGX-XLIONFOSSA-N 1 3 350.503 2.664 20 0 FFADHO O=C(OCc1ccccc1)[C@H]1CCCN[C@H](NC2CCC3(C[NH2+]C3)CC2)C1 ZINC001246260166 1039289770 /nfs/dbraw/zinc/28/97/70/1039289770.db2.gz LYKGPFOAYOZKAE-AZUAARDMSA-N 1 3 371.525 2.567 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3ccc(OC)cc3)CCNCC2)C1 ZINC001246381424 1039331699 /nfs/dbraw/zinc/33/16/99/1039331699.db2.gz QQLDYPDIRWGVCK-WMZOPIPTSA-N 1 3 360.498 2.985 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@H]1C ZINC001210033526 1039340501 /nfs/dbraw/zinc/34/05/01/1039340501.db2.gz RYOZTRUQIZPXLF-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@H]1C ZINC001210033526 1039340514 /nfs/dbraw/zinc/34/05/14/1039340514.db2.gz RYOZTRUQIZPXLF-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC001246557991 1039397090 /nfs/dbraw/zinc/39/70/90/1039397090.db2.gz NIJLYSBEXOXJLP-SJLPKXTDSA-N 1 3 361.530 2.727 20 0 FFADHO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C2CC[NH2+]CC2)C3)n1 ZINC001246753562 1039465407 /nfs/dbraw/zinc/46/54/07/1039465407.db2.gz NPVKSRQMVHCWMG-RTWAWAEBSA-N 1 3 359.514 2.530 20 0 FFADHO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](C2CCNCC2)C3)n1 ZINC001246753562 1039465412 /nfs/dbraw/zinc/46/54/12/1039465412.db2.gz NPVKSRQMVHCWMG-RTWAWAEBSA-N 1 3 359.514 2.530 20 0 FFADHO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](C2CCNCC2)C3)n1 ZINC001246753562 1039465422 /nfs/dbraw/zinc/46/54/22/1039465422.db2.gz NPVKSRQMVHCWMG-RTWAWAEBSA-N 1 3 359.514 2.530 20 0 FFADHO C[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210432964 1039543539 /nfs/dbraw/zinc/54/35/39/1039543539.db2.gz JHXVSNVCAYNPNZ-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC001210484819 1039575337 /nfs/dbraw/zinc/57/53/37/1039575337.db2.gz DMKBXSARLSXKEL-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC001210484819 1039575349 /nfs/dbraw/zinc/57/53/49/1039575349.db2.gz DMKBXSARLSXKEL-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001253186920 1040028462 /nfs/dbraw/zinc/02/84/62/1040028462.db2.gz UFKVQJKOUKKUNB-MNAPGUCWSA-N 1 3 358.526 2.886 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001253186920 1040028480 /nfs/dbraw/zinc/02/84/80/1040028480.db2.gz UFKVQJKOUKKUNB-MNAPGUCWSA-N 1 3 358.526 2.886 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2cc(Br)ccc12 ZINC001253207042 1040045713 /nfs/dbraw/zinc/04/57/13/1040045713.db2.gz XJANUJXSZJMJAP-HNNXBMFYSA-N 1 3 368.319 2.765 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001253426598 1040172156 /nfs/dbraw/zinc/17/21/56/1040172156.db2.gz KPIAZGOPQVRZLN-SIKLNZKXSA-N 1 3 374.525 2.529 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001253426598 1040172166 /nfs/dbraw/zinc/17/21/66/1040172166.db2.gz KPIAZGOPQVRZLN-SIKLNZKXSA-N 1 3 374.525 2.529 20 0 FFADHO C[NH+]1CCC2(CN(C[C@@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC001253427625 1040175257 /nfs/dbraw/zinc/17/52/57/1040175257.db2.gz SKOZJAOBUSTLIC-LJQANCHMSA-N 1 3 374.525 2.529 20 0 FFADHO c1cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cc(-c2nnn[n-]2)c1 ZINC001278732497 1040254393 /nfs/dbraw/zinc/25/43/93/1040254393.db2.gz ZCWVHAWLNQQRBE-UHFFFAOYSA-N 1 3 352.486 2.707 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@](C)(O)C(=O)OCc2ccccc2)CC1 ZINC001253642256 1040281017 /nfs/dbraw/zinc/28/10/17/1040281017.db2.gz VEAZWICOKARLIC-NRFANRHFSA-N 1 3 362.514 2.677 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@](C)(O)C(=O)OCc2ccccc2)CC1 ZINC001253642256 1040281033 /nfs/dbraw/zinc/28/10/33/1040281033.db2.gz VEAZWICOKARLIC-NRFANRHFSA-N 1 3 362.514 2.677 20 0 FFADHO CC(C)(C)OC(=O)[C@@H](O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001253682831 1040317105 /nfs/dbraw/zinc/31/71/05/1040317105.db2.gz VXDDOCWZRXVQOT-IBGZPJMESA-N 1 3 374.525 2.677 20 0 FFADHO CO[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001213399997 1040514615 /nfs/dbraw/zinc/51/46/15/1040514615.db2.gz VLEBOIVHDZMOEM-GUDVDZBRSA-N 1 3 367.578 2.604 20 0 FFADHO CO[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001213399997 1040514635 /nfs/dbraw/zinc/51/46/35/1040514635.db2.gz VLEBOIVHDZMOEM-GUDVDZBRSA-N 1 3 367.578 2.604 20 0 FFADHO OC1(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CCN(Cc2ccccc2)CC1 ZINC001254037597 1040538947 /nfs/dbraw/zinc/53/89/47/1040538947.db2.gz XSNKJHJWMQTFHU-HDICACEKSA-N 1 3 350.453 2.991 20 0 FFADHO OC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CCN(Cc2ccccc2)CC1 ZINC001254037597 1040538959 /nfs/dbraw/zinc/53/89/59/1040538959.db2.gz XSNKJHJWMQTFHU-HDICACEKSA-N 1 3 350.453 2.991 20 0 FFADHO Cc1noc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)n1 ZINC001254039844 1040540926 /nfs/dbraw/zinc/54/09/26/1040540926.db2.gz LYDCMJWXALAABS-UHFFFAOYSA-N 1 3 370.497 2.585 20 0 FFADHO OC1(C[NH+]2CCC3(CCCOC3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254041678 1040543271 /nfs/dbraw/zinc/54/32/71/1040543271.db2.gz OCKIELUVUPPIFS-UHFFFAOYSA-N 1 3 358.526 2.906 20 0 FFADHO OC1(C[NH2+]Cc2ccc3n[nH]cc3c2)CCN(Cc2ccccc2)CC1 ZINC001254048362 1040549206 /nfs/dbraw/zinc/54/92/06/1040549206.db2.gz JLVXVTONLZYRHA-UHFFFAOYSA-N 1 3 350.466 2.680 20 0 FFADHO OC1(C[NH2+]Cc2cnc3[nH]ccc3c2)CCN(Cc2ccccc2)CC1 ZINC001254048000 1040549238 /nfs/dbraw/zinc/54/92/38/1040549238.db2.gz CKMRSIZTXBNUSL-UHFFFAOYSA-N 1 3 350.466 2.680 20 0 FFADHO Cc1c(F)cccc1[C@@H](CO)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254053557 1040555239 /nfs/dbraw/zinc/55/52/39/1040555239.db2.gz SMKSRFRCNRPMBZ-OAQYLSRUSA-N 1 3 372.484 2.784 20 0 FFADHO CC(C)(C)OC(=O)N1CCCC[C@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254192053 1040607517 /nfs/dbraw/zinc/60/75/17/1040607517.db2.gz MMFLTMJYIRFGCX-ULQDDVLXSA-N 1 3 367.534 2.747 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2C(C)(C)CC(N)CC2(C)C)CC1=O ZINC001254231389 1040625100 /nfs/dbraw/zinc/62/51/00/1040625100.db2.gz HIKXMJUBBARVGH-CQSZACIVSA-N 1 3 353.507 2.893 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CCN(C2CC2)C1 ZINC001254389564 1040694273 /nfs/dbraw/zinc/69/42/73/1040694273.db2.gz BSBGJLZVSBNJFA-XLIONFOSSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CCN(C2CC2)C1 ZINC001254389564 1040694281 /nfs/dbraw/zinc/69/42/81/1040694281.db2.gz BSBGJLZVSBNJFA-XLIONFOSSA-N 1 3 362.562 2.909 20 0 FFADHO CC(=O)N1CCC([NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)CC1 ZINC001254423735 1040711814 /nfs/dbraw/zinc/71/18/14/1040711814.db2.gz LPFUHADEAMYXCI-HXUWFJFHSA-N 1 3 359.514 2.967 20 0 FFADHO CN(Cc1ccccn1)[C@H]1COC2(C1)CCN([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254520868 1040769874 /nfs/dbraw/zinc/76/98/74/1040769874.db2.gz YZRPTICEHCEJGR-NHCUHLMSSA-N 1 3 372.557 2.621 20 0 FFADHO CN(Cc1ccccn1)[C@H]1COC2(C1)CCN([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254520868 1040769888 /nfs/dbraw/zinc/76/98/88/1040769888.db2.gz YZRPTICEHCEJGR-NHCUHLMSSA-N 1 3 372.557 2.621 20 0 FFADHO CC[NH+](CC)CCN1CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254623852 1040846668 /nfs/dbraw/zinc/84/66/68/1040846668.db2.gz QDOSIDLTNGSRJD-UHFFFAOYSA-N 1 3 362.537 2.754 20 0 FFADHO CN1CC2(C1)CC[NH+]([C@@H]1CSC3(CN(C(=O)OC(C)(C)C)C3)C1)CC2 ZINC001254711477 1040901262 /nfs/dbraw/zinc/90/12/62/1040901262.db2.gz SRHKUAXRMVIVTH-HNNXBMFYSA-N 1 3 367.559 2.509 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213872249 1041011981 /nfs/dbraw/zinc/01/19/81/1041011981.db2.gz ZMWOCQGZLATSSM-RTBURBONSA-N 1 3 353.551 2.648 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC001255021515 1041106457 /nfs/dbraw/zinc/10/64/57/1041106457.db2.gz QECXEFYFBJZCKM-IBGZPJMESA-N 1 3 356.510 2.893 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC001255021515 1041106460 /nfs/dbraw/zinc/10/64/60/1041106460.db2.gz QECXEFYFBJZCKM-IBGZPJMESA-N 1 3 356.510 2.893 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@H+](CC)C3)c2)CC1 ZINC001255082828 1041132461 /nfs/dbraw/zinc/13/24/61/1041132461.db2.gz BEPSULXXICFGRM-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+](CC)C3)c2)CC1 ZINC001255082828 1041132469 /nfs/dbraw/zinc/13/24/69/1041132469.db2.gz BEPSULXXICFGRM-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO O=C(C1CC1)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255133133 1041164786 /nfs/dbraw/zinc/16/47/86/1041164786.db2.gz ZLTKWQLIPDAPOO-BURNTYAHSA-N 1 3 353.510 2.783 20 0 FFADHO O=C(C1CC1)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255133133 1041164794 /nfs/dbraw/zinc/16/47/94/1041164794.db2.gz ZLTKWQLIPDAPOO-BURNTYAHSA-N 1 3 353.510 2.783 20 0 FFADHO CCOC(=O)C1CCC([NH2+]Cc2ccccc2CN2CCN(C)CC2)CC1 ZINC001255251503 1041232508 /nfs/dbraw/zinc/23/25/08/1041232508.db2.gz MSRIRZUBKSVSLF-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc(F)c1 ZINC001250807891 1041376916 /nfs/dbraw/zinc/37/69/16/1041376916.db2.gz HMCIZCRQZQSJEZ-GBESFXJTSA-N 1 3 350.478 2.904 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc(F)c1 ZINC001250807891 1041376928 /nfs/dbraw/zinc/37/69/28/1041376928.db2.gz HMCIZCRQZQSJEZ-GBESFXJTSA-N 1 3 350.478 2.904 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001214999829 1041639929 /nfs/dbraw/zinc/63/99/29/1041639929.db2.gz PKOYMAXLMPZSJE-NIKGAXFTSA-N 1 3 361.505 2.980 20 0 FFADHO Cn1nc(C(=O)OC(C)(C)C)cc1CN1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262378635 1041666658 /nfs/dbraw/zinc/66/66/58/1041666658.db2.gz HGAYFMHBQZHDMQ-BZUAXINKSA-N 1 3 362.518 2.538 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NCc1cncs1 ZINC001215226012 1041706564 /nfs/dbraw/zinc/70/65/64/1041706564.db2.gz CLANSLGLNHENCX-NVXWUHKLSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC001262591491 1041742483 /nfs/dbraw/zinc/74/24/83/1041742483.db2.gz PKNOVYJWFGDZTJ-IEBWSBKVSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1cc(Cl)ccc1F ZINC001215416697 1041775687 /nfs/dbraw/zinc/77/56/87/1041775687.db2.gz WZCQDMLUHQUBON-CXAGYDPISA-N 1 3 367.896 2.757 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423705 1041777681 /nfs/dbraw/zinc/77/76/81/1041777681.db2.gz RWNLVEMLTCJUQR-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1)[NH+](CC)CC ZINC001215518700 1041812577 /nfs/dbraw/zinc/81/25/77/1041812577.db2.gz JXKZCFYDQXALRS-FSPWUOQZSA-N 1 3 366.575 2.817 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC/C=C/c1ccccc1 ZINC001215541060 1041820430 /nfs/dbraw/zinc/82/04/30/1041820430.db2.gz WGCNUAMHOHTFRJ-AUHRCPNPSA-N 1 3 355.526 2.868 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2c(F)cccc2Cl)C1 ZINC001216514528 1042045999 /nfs/dbraw/zinc/04/59/99/1042045999.db2.gz JANTUHREWFWTQA-RDTXWAMCSA-N 1 3 369.912 2.800 20 0 FFADHO CC(C)C[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001263100960 1042103936 /nfs/dbraw/zinc/10/39/36/1042103936.db2.gz DMZMTGBIJANKAM-PKOBYXMFSA-N 1 3 374.529 2.555 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001263120407 1042114925 /nfs/dbraw/zinc/11/49/25/1042114925.db2.gz AKSRBINAGHSHKN-VQIMIIECSA-N 1 3 356.514 2.503 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c(C)n1 ZINC001263906248 1042523358 /nfs/dbraw/zinc/52/33/58/1042523358.db2.gz CZNNELARKMUIRR-SXLOBPIMSA-N 1 3 360.546 2.659 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCN1CCOCC1CC1 ZINC001264709191 1042792521 /nfs/dbraw/zinc/79/25/21/1042792521.db2.gz KHPNFCWSOPLMCP-APWZRJJASA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCN1CCOCC1CC1 ZINC001264709191 1042792526 /nfs/dbraw/zinc/79/25/26/1042792526.db2.gz KHPNFCWSOPLMCP-APWZRJJASA-N 1 3 365.562 2.645 20 0 FFADHO Cc1ccc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)c(N)n1 ZINC001279136181 1042914136 /nfs/dbraw/zinc/91/41/36/1042914136.db2.gz YRBVQWIDHKHOSC-UHFFFAOYSA-N 1 3 354.502 2.574 20 0 FFADHO Cc1ccc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(N)n1 ZINC001279136181 1042914139 /nfs/dbraw/zinc/91/41/39/1042914139.db2.gz YRBVQWIDHKHOSC-UHFFFAOYSA-N 1 3 354.502 2.574 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc(C)c1F ZINC001279150559 1042921329 /nfs/dbraw/zinc/92/13/29/1042921329.db2.gz MLIHCGKJTVPNDL-KDURUIRLSA-N 1 3 361.505 2.675 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc(C)c1F ZINC001279150559 1042921331 /nfs/dbraw/zinc/92/13/31/1042921331.db2.gz MLIHCGKJTVPNDL-KDURUIRLSA-N 1 3 361.505 2.675 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CCCN1CCCCC1)C2 ZINC001279275439 1042979176 /nfs/dbraw/zinc/97/91/76/1042979176.db2.gz OXJVICLISIUYDE-ACRUOGEOSA-N 1 3 357.542 2.918 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CCCN1CCCCC1)C2 ZINC001279275439 1042979179 /nfs/dbraw/zinc/97/91/79/1042979179.db2.gz OXJVICLISIUYDE-ACRUOGEOSA-N 1 3 357.542 2.918 20 0 FFADHO Cc1cnccc1C[N@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001279381810 1043039904 /nfs/dbraw/zinc/03/99/04/1043039904.db2.gz JHOXQNYPGYHIET-KDURUIRLSA-N 1 3 352.482 2.835 20 0 FFADHO Cc1cnccc1C[N@@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001279381810 1043039906 /nfs/dbraw/zinc/03/99/06/1043039906.db2.gz JHOXQNYPGYHIET-KDURUIRLSA-N 1 3 352.482 2.835 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3cccc(Cl)c3F)C[C@H]2CC1 ZINC001279436855 1043111545 /nfs/dbraw/zinc/11/15/45/1043111545.db2.gz BYQWCRPHKOORLE-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3cccc(Cl)c3F)C[C@H]2CC1 ZINC001279436855 1043111553 /nfs/dbraw/zinc/11/15/53/1043111553.db2.gz BYQWCRPHKOORLE-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(OC(F)F)c(F)c3)CC2)CC1 ZINC001237358103 1043120131 /nfs/dbraw/zinc/12/01/31/1043120131.db2.gz JBIZLIKDOPKHFB-UHFFFAOYSA-N 1 3 371.447 2.887 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc3nccc(Cl)c3c2)CCC12C[NH2+]C2 ZINC001237429091 1043154678 /nfs/dbraw/zinc/15/46/78/1043154678.db2.gz CUFUWNSVOSVJSS-INIZCTEOSA-N 1 3 373.884 2.863 20 0 FFADHO CCn1ccnc1CN1CCC2(C1)CC[NH+](Cc1[nH]c(C)nc1C)CC2 ZINC001279546650 1043241910 /nfs/dbraw/zinc/24/19/10/1043241910.db2.gz WHOBTBHCNNTECC-UHFFFAOYSA-N 1 3 356.518 2.731 20 0 FFADHO C[NH+](C)CCN1CC2(CN(CCCc3ccccc3C(F)(F)F)C2)C1 ZINC001278115969 1043248490 /nfs/dbraw/zinc/24/84/90/1043248490.db2.gz AYKQCDPNHSCERT-UHFFFAOYSA-N 1 3 355.448 2.817 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2cccnc2C)CC3)n(C)n1 ZINC001279571363 1043275015 /nfs/dbraw/zinc/27/50/15/1043275015.db2.gz MOYLMRRYGHECBZ-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001279598982 1043317757 /nfs/dbraw/zinc/31/77/57/1043317757.db2.gz CQQLQYWCNDGIHK-NRFANRHFSA-N 1 3 361.578 2.947 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001279598982 1043317765 /nfs/dbraw/zinc/31/77/65/1043317765.db2.gz CQQLQYWCNDGIHK-NRFANRHFSA-N 1 3 361.578 2.947 20 0 FFADHO C[N@H+]1CC[C@H]2CN(Cc3cc4c(c(Br)c3)OCO4)C[C@H]2CC1 ZINC001279624555 1043360037 /nfs/dbraw/zinc/36/00/37/1043360037.db2.gz VSBREWDQRJNFLX-OKILXGFUSA-N 1 3 367.287 2.951 20 0 FFADHO C[N@@H+]1CC[C@H]2CN(Cc3cc4c(c(Br)c3)OCO4)C[C@H]2CC1 ZINC001279624555 1043360049 /nfs/dbraw/zinc/36/00/49/1043360049.db2.gz VSBREWDQRJNFLX-OKILXGFUSA-N 1 3 367.287 2.951 20 0 FFADHO Cc1nc(C)c(CN2CCC3(CC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)o1 ZINC001279638790 1043381971 /nfs/dbraw/zinc/38/19/71/1043381971.db2.gz QLCCWHAQILFTEP-UHFFFAOYSA-N 1 3 356.470 2.880 20 0 FFADHO Cc1nc(C)c(CN2CCC3(CC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)o1 ZINC001279638790 1043381979 /nfs/dbraw/zinc/38/19/79/1043381979.db2.gz QLCCWHAQILFTEP-UHFFFAOYSA-N 1 3 356.470 2.880 20 0 FFADHO Cc1cccc2ncc(CN[C@@]34CC[C@@]([NH2+]CCN(C)C)(C3)CCC4)n21 ZINC001279652274 1043405233 /nfs/dbraw/zinc/40/52/33/1043405233.db2.gz NFNBHSILURGQNS-RTWAWAEBSA-N 1 3 355.530 2.729 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(CN(CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC001278238559 1043734606 /nfs/dbraw/zinc/73/46/06/1043734606.db2.gz ZAALZDOWAKOMMR-UHFFFAOYSA-N 1 3 355.448 2.817 20 0 FFADHO CN(C)CC[N@H+]1CCC2(CN(CCc3cccc(C(F)(F)F)c3)C2)C1 ZINC001278238559 1043734615 /nfs/dbraw/zinc/73/46/15/1043734615.db2.gz ZAALZDOWAKOMMR-UHFFFAOYSA-N 1 3 355.448 2.817 20 0 FFADHO CCCCCCN1CC2(C1)SCC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001279862548 1043787870 /nfs/dbraw/zinc/78/78/70/1043787870.db2.gz AVORDOPKQMZBDE-SFHVURJKSA-N 1 3 367.603 2.927 20 0 FFADHO C[NH+]1CCC(NC(=O)C2=CC3(CC2)CCN(Cc2cncs2)CC3)CC1 ZINC001279864057 1043793206 /nfs/dbraw/zinc/79/32/06/1043793206.db2.gz QLWZLVLXUOVXPU-UHFFFAOYSA-N 1 3 374.554 2.656 20 0 FFADHO CC(C)(C)CCN1CCC([NH+]2CCC(C(=O)Nc3cn[nH]c3)CC2)CC1 ZINC001279879103 1043827881 /nfs/dbraw/zinc/82/78/81/1043827881.db2.gz HBXHVZRPXQVRIF-UHFFFAOYSA-N 1 3 361.534 2.961 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(OC(F)(F)F)cc1 ZINC001239218414 1044072848 /nfs/dbraw/zinc/07/28/48/1044072848.db2.gz ZNBANPAOEOUQAT-ZDUSSCGKSA-N 1 3 372.391 2.581 20 0 FFADHO Cc1ccc(Cl)cc1NC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363327 1044103998 /nfs/dbraw/zinc/10/39/98/1044103998.db2.gz PBVQLZNLFWJSBC-AWEZNQCLSA-N 1 3 352.935 2.809 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001280096209 1044199498 /nfs/dbraw/zinc/19/94/98/1044199498.db2.gz MGEFACOBNWQKFU-KNQAVFIVSA-N 1 3 355.526 2.766 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001313135307 1044248013 /nfs/dbraw/zinc/24/80/13/1044248013.db2.gz CACXQCNAIQOJQC-ICSRJNTNSA-N 1 3 360.546 2.736 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313135307 1044248026 /nfs/dbraw/zinc/24/80/26/1044248026.db2.gz CACXQCNAIQOJQC-ICSRJNTNSA-N 1 3 360.546 2.736 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001313187130 1044266281 /nfs/dbraw/zinc/26/62/81/1044266281.db2.gz RRPOFBYUHPJBPV-FQEVSTJZSA-N 1 3 360.546 2.943 20 0 FFADHO CN1CCN(Cc2ccc(-c3ccc(O[C@@H]4CC[NH2+]C4)cc3)cc2)CC1 ZINC001240408252 1044332272 /nfs/dbraw/zinc/33/22/72/1044332272.db2.gz GAWUNJKWYAEGHV-JOCHJYFZSA-N 1 3 351.494 2.842 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313865827 1044433375 /nfs/dbraw/zinc/43/33/75/1044433375.db2.gz PGKPNHWKXFSVJH-IAGOWNOFSA-N 1 3 360.550 2.560 20 0 FFADHO CN1CCN(c2ccc(-c3ccccc3CN3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001240854340 1044452466 /nfs/dbraw/zinc/45/24/66/1044452466.db2.gz HJKQJHRFTJCBAG-HXUWFJFHSA-N 1 3 350.510 2.638 20 0 FFADHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)Nc3nccn3C)CC2)CC1 ZINC001280246721 1044463563 /nfs/dbraw/zinc/46/35/63/1044463563.db2.gz AVMQZTSQKCVBAF-MRXNPFEDSA-N 1 3 361.534 2.581 20 0 FFADHO C[NH+]1CCC(n2cc(-c3cccc4cc([C@H]5CNCCO5)cn43)cn2)CC1 ZINC001242729820 1044781147 /nfs/dbraw/zinc/78/11/47/1044781147.db2.gz UKAVVRBDJCOILQ-OAQYLSRUSA-N 1 3 365.481 2.730 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319008495 1044980189 /nfs/dbraw/zinc/98/01/89/1044980189.db2.gz FGBVFXRAGYQIIN-IAGOWNOFSA-N 1 3 352.548 2.694 20 0 FFADHO Cc1cc(Br)cc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001278379484 1045118210 /nfs/dbraw/zinc/11/82/10/1045118210.db2.gz YLYUEGIYYVNCFA-ROUUACIJSA-N 1 3 366.347 2.968 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C12CCC2 ZINC001319951967 1045311971 /nfs/dbraw/zinc/31/19/71/1045311971.db2.gz VAERPMDBHBUVBK-RTWAWAEBSA-N 1 3 357.542 2.871 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC001321869234 1045848971 /nfs/dbraw/zinc/84/89/71/1045848971.db2.gz VEWUMDZRKLTBAV-OALUTQOASA-N 1 3 359.514 2.650 20 0 FFADHO C[NH2+][C@H](C)CCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001325323287 1046468966 /nfs/dbraw/zinc/46/89/66/1046468966.db2.gz DYGKAEZSZOWSCD-CQSZACIVSA-N 1 3 374.451 2.777 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cccc3c2NCCC3)C1 ZINC001331566347 1048010882 /nfs/dbraw/zinc/01/08/82/1048010882.db2.gz ORSDSCVDJQVVDM-NRFANRHFSA-N 1 3 351.494 2.901 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc3c2NCCC3)C1 ZINC001331566347 1048010896 /nfs/dbraw/zinc/01/08/96/1048010896.db2.gz ORSDSCVDJQVVDM-NRFANRHFSA-N 1 3 351.494 2.901 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001290867040 1048461939 /nfs/dbraw/zinc/46/19/39/1048461939.db2.gz IAWWVLZHIVGLSG-GOSISDBHSA-N 1 3 374.577 2.773 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)cc2)CC1 ZINC001329237662 1048628859 /nfs/dbraw/zinc/62/88/59/1048628859.db2.gz ZJFWNDDFEVDIHE-OAQYLSRUSA-N 1 3 364.493 2.654 20 0 FFADHO Cc1cc(CNCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCCC2)sn1 ZINC001329824895 1048926695 /nfs/dbraw/zinc/92/66/95/1048926695.db2.gz LIQJPOLJCOXUJH-NVXWUHKLSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1cc(CNCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCCC2)sn1 ZINC001329824895 1048926698 /nfs/dbraw/zinc/92/66/98/1048926698.db2.gz LIQJPOLJCOXUJH-NVXWUHKLSA-N 1 3 364.559 2.700 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)c1ccccc1 ZINC001333666826 1049041118 /nfs/dbraw/zinc/04/11/18/1049041118.db2.gz QMZNPABGUJXWNX-WTGUMLROSA-N 1 3 358.530 2.661 20 0 FFADHO C[C@H](CCCNCc1cc(F)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330820990 1049346566 /nfs/dbraw/zinc/34/65/66/1049346566.db2.gz NUNSQCIWFZZQFG-CKEIUWERSA-N 1 3 353.457 2.680 20 0 FFADHO C[C@H](CCCNCc1cc(F)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330820990 1049346576 /nfs/dbraw/zinc/34/65/76/1049346576.db2.gz NUNSQCIWFZZQFG-CKEIUWERSA-N 1 3 353.457 2.680 20 0 FFADHO COc1cccc([C@@H]2CC(=O)N(CN3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)C2)c1 ZINC001334727048 1049550122 /nfs/dbraw/zinc/55/01/22/1049550122.db2.gz XUDLYMVOFVFMAL-HAGHYFMRSA-N 1 3 371.525 2.631 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001295991138 1050009360 /nfs/dbraw/zinc/00/93/60/1050009360.db2.gz ACEDQOKUHOUGKI-DLBZAZTESA-N 1 3 374.577 2.949 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1cn2cc(C[NH3+])ccc2n1)c1ccsc1 ZINC001341643756 1050271405 /nfs/dbraw/zinc/27/14/05/1050271405.db2.gz FBLNJDYSZOLLOI-QGZVFWFLSA-N 1 3 371.510 2.667 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)[NH+](C)C)cc1 ZINC001341658605 1050283508 /nfs/dbraw/zinc/28/35/08/1050283508.db2.gz IGKFUIFQNDAVIS-FPOVZHCZSA-N 1 3 364.493 2.765 20 0 FFADHO C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001541850248 1071147866 /nfs/dbraw/zinc/14/78/66/1071147866.db2.gz NDOZHBGDGSRCGJ-MRXNPFEDSA-N 1 3 362.566 2.806 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)CC1 ZINC001341887190 1050489636 /nfs/dbraw/zinc/48/96/36/1050489636.db2.gz FXVLFDOVSQBGOK-XRULBBBTSA-N 1 3 370.541 2.892 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001340154287 1050557914 /nfs/dbraw/zinc/55/79/14/1050557914.db2.gz IGVUVKRXDUPFDR-OAHLLOKOSA-N 1 3 371.485 2.650 20 0 FFADHO CC(C)c1nnc(N2CCN(CC3CC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001302692541 1051174331 /nfs/dbraw/zinc/17/43/31/1051174331.db2.gz KVPRUYVMNJZYOC-UHFFFAOYSA-N 1 3 374.577 2.810 20 0 FFADHO N[C@H](CC(F)F)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001342989964 1051606012 /nfs/dbraw/zinc/60/60/12/1051606012.db2.gz NMBAMMZIROHZBM-MRXNPFEDSA-N 1 3 351.441 2.583 20 0 FFADHO C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC001343489253 1052262806 /nfs/dbraw/zinc/26/28/06/1052262806.db2.gz XYHJDLBIANBJAN-GDBMZVCRSA-N 1 3 371.447 2.984 20 0 FFADHO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001307927612 1052367346 /nfs/dbraw/zinc/36/73/46/1052367346.db2.gz CQMMSEAVAKRRKC-PXNSSMCTSA-N 1 3 364.965 2.877 20 0 FFADHO C[C@H]1[C@@H](N(C)C)CC[N@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001307927612 1052367351 /nfs/dbraw/zinc/36/73/51/1052367351.db2.gz CQMMSEAVAKRRKC-PXNSSMCTSA-N 1 3 364.965 2.877 20 0 FFADHO COCC[C@H](CNCC[C@H](C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC001308367331 1052450659 /nfs/dbraw/zinc/45/06/59/1052450659.db2.gz SKUYBFFMUKSYEL-DLBZAZTESA-N 1 3 357.539 2.770 20 0 FFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001346192117 1052784121 /nfs/dbraw/zinc/78/41/21/1052784121.db2.gz RGWZOFFOEUFGIG-IYBDPMFKSA-N 1 3 365.493 2.942 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001335413694 1053345652 /nfs/dbraw/zinc/34/56/52/1053345652.db2.gz RQGVDFCNJHRIJH-GOSISDBHSA-N 1 3 372.431 2.972 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H](n2cncn2)C1 ZINC001346870324 1053396917 /nfs/dbraw/zinc/39/69/17/1053396917.db2.gz XGXTVABYFMHHRZ-DUXKGJEZSA-N 1 3 368.529 2.905 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC001335539334 1053421551 /nfs/dbraw/zinc/42/15/51/1053421551.db2.gz RUFPYIVEEWIYAH-LESCRADOSA-N 1 3 364.559 2.638 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCCN(C)C2)c(OC)c1 ZINC001336021795 1053711411 /nfs/dbraw/zinc/71/14/11/1053711411.db2.gz TVPFKSNVGDDPJM-XLTMVAFESA-N 1 3 362.514 2.790 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)N(C)C)cc1 ZINC001336894680 1054321855 /nfs/dbraw/zinc/32/18/55/1054321855.db2.gz VCMNZAWUCYJVJT-QGPMSJSTSA-N 1 3 364.559 2.638 20 0 FFADHO CCCN(C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001336993499 1054395183 /nfs/dbraw/zinc/39/51/83/1054395183.db2.gz JLTDUSRXRKJCED-UFYCRDLUSA-N 1 3 358.530 2.810 20 0 FFADHO CN1CCN(Cc2ccc(-c3nc([C@H](N)c4ccccc4)no3)cc2)CC1 ZINC001349303670 1055180331 /nfs/dbraw/zinc/18/03/31/1055180331.db2.gz ZVOFFADETJFYEQ-LJQANCHMSA-N 1 3 363.465 2.532 20 0 FFADHO C[NH+]1CCN(Cc2ccc(-c3nc([C@H](N)c4ccccc4)no3)cc2)CC1 ZINC001349303670 1055180337 /nfs/dbraw/zinc/18/03/37/1055180337.db2.gz ZVOFFADETJFYEQ-LJQANCHMSA-N 1 3 363.465 2.532 20 0 FFADHO CN1CC[NH+](Cc2ccc(-c3nc([C@H](N)c4ccccc4)no3)cc2)CC1 ZINC001349303670 1055180339 /nfs/dbraw/zinc/18/03/39/1055180339.db2.gz ZVOFFADETJFYEQ-LJQANCHMSA-N 1 3 363.465 2.532 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(-n2nc(C)cc2C)cc1 ZINC000849059632 1055614116 /nfs/dbraw/zinc/61/41/16/1055614116.db2.gz YRYKZZFUHXPDMV-FQEVSTJZSA-N 1 3 368.529 2.630 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000849088559 1055635013 /nfs/dbraw/zinc/63/50/13/1055635013.db2.gz PNSNBIAOMOJQCG-NHCUHLMSSA-N 1 3 366.509 2.985 20 0 FFADHO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCCN(C)C3)cnc12 ZINC001200365918 1056491015 /nfs/dbraw/zinc/49/10/15/1056491015.db2.gz PXHUCNSXXWXDPE-CYBMUJFWSA-N 1 3 351.292 2.837 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001339575886 1056600522 /nfs/dbraw/zinc/60/05/22/1056600522.db2.gz LYHDDPLXGKZMJB-HXUWFJFHSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001339575886 1056600529 /nfs/dbraw/zinc/60/05/29/1056600529.db2.gz LYHDDPLXGKZMJB-HXUWFJFHSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001502256269 1058795227 /nfs/dbraw/zinc/79/52/27/1058795227.db2.gz WPXNLAAWBCSBGA-IRXDYDNUSA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001502256269 1058795247 /nfs/dbraw/zinc/79/52/47/1058795247.db2.gz WPXNLAAWBCSBGA-IRXDYDNUSA-N 1 3 374.577 2.949 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001546533961 1071833685 /nfs/dbraw/zinc/83/36/85/1071833685.db2.gz KVTBFMMFTGLBNI-IBGZPJMESA-N 1 3 374.577 2.780 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001546533961 1071833693 /nfs/dbraw/zinc/83/36/93/1071833693.db2.gz KVTBFMMFTGLBNI-IBGZPJMESA-N 1 3 374.577 2.780 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3ccccc3n(C)c2=O)C[C@@H](C)O1 ZINC001200672165 1059032454 /nfs/dbraw/zinc/03/24/54/1059032454.db2.gz MRGPADROZBWOOX-IAGOWNOFSA-N 1 3 357.498 2.518 20 0 FFADHO CCN1CCN(c2ccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000848538379 1060242236 /nfs/dbraw/zinc/24/22/36/1060242236.db2.gz XPPRYHKCFDTKNN-JOCHJYFZSA-N 1 3 372.557 2.884 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001547646579 1071983229 /nfs/dbraw/zinc/98/32/29/1071983229.db2.gz AUDXCMFCMCMFEP-IAGOWNOFSA-N 1 3 374.577 2.634 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)C[C@H](C)O1 ZINC001521445026 1060596837 /nfs/dbraw/zinc/59/68/37/1060596837.db2.gz CYPLRLGALHWZAK-OTWHNJEPSA-N 1 3 365.562 2.552 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)C2CC3(C2)C[C@@H]([NH3+])CCO3)N2CCCC2)cc1 ZINC001521463715 1060604200 /nfs/dbraw/zinc/60/42/00/1060604200.db2.gz MPAIVHDUKYTLTH-LNSLMDJYSA-N 1 3 371.525 2.535 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)OCC[NH2+]C3)CN1Cc1ccccc1 ZINC001521496014 1060620104 /nfs/dbraw/zinc/62/01/04/1060620104.db2.gz ODVBJRVTQBFLKG-UZLBHIALSA-N 1 3 365.477 2.561 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3c(s2)C[NH2+]CC3)CC1 ZINC001521643712 1061041727 /nfs/dbraw/zinc/04/17/27/1061041727.db2.gz FGSJDJSDHPTTKU-CQSZACIVSA-N 1 3 370.522 2.744 20 0 FFADHO COCCN(Cc1ccc(Br)nc1)CC1CC[NH+](C)CC1 ZINC001462490857 1061643711 /nfs/dbraw/zinc/64/37/11/1061643711.db2.gz JOGUTYHIEDALHQ-UHFFFAOYSA-N 1 3 356.308 2.634 20 0 FFADHO CC[NH+]1CCC(CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC001462512750 1061654513 /nfs/dbraw/zinc/65/45/13/1061654513.db2.gz XQRDREBGVFEFGL-MRXNPFEDSA-N 1 3 353.869 2.906 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C1CC1 ZINC001477713104 1061782117 /nfs/dbraw/zinc/78/21/17/1061782117.db2.gz CRLJPNDKOBKUOM-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C1CC1 ZINC001477713104 1061782130 /nfs/dbraw/zinc/78/21/30/1061782130.db2.gz CRLJPNDKOBKUOM-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C ZINC001479490097 1062475647 /nfs/dbraw/zinc/47/56/47/1062475647.db2.gz ADCKUGUOZCTVET-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C ZINC001479490097 1062475664 /nfs/dbraw/zinc/47/56/64/1062475664.db2.gz ADCKUGUOZCTVET-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001467686364 1063817398 /nfs/dbraw/zinc/81/73/98/1063817398.db2.gz DQLCYFUGNLHTGX-HDICACEKSA-N 1 3 352.567 2.870 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001467686364 1063817415 /nfs/dbraw/zinc/81/74/15/1063817415.db2.gz DQLCYFUGNLHTGX-HDICACEKSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2cc(O)ccc2Cl)CC[N@@H+]1C ZINC001498549560 1063825696 /nfs/dbraw/zinc/82/56/96/1063825696.db2.gz WCLZBOSSTZAGRX-FUHWJXTLSA-N 1 3 367.921 2.714 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2cc(O)ccc2Cl)CC[N@H+]1C ZINC001498549560 1063825709 /nfs/dbraw/zinc/82/57/09/1063825709.db2.gz WCLZBOSSTZAGRX-FUHWJXTLSA-N 1 3 367.921 2.714 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2oc(C(C)C)nc2C)CC[N@@H+]1C ZINC001498549908 1063827384 /nfs/dbraw/zinc/82/73/84/1063827384.db2.gz LEVZQYOAPSCUOK-DLBZAZTESA-N 1 3 364.534 2.775 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2oc(C(C)C)nc2C)CC[N@H+]1C ZINC001498549908 1063827399 /nfs/dbraw/zinc/82/73/99/1063827399.db2.gz LEVZQYOAPSCUOK-DLBZAZTESA-N 1 3 364.534 2.775 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001468004992 1063904706 /nfs/dbraw/zinc/90/47/06/1063904706.db2.gz RQMLQXIPSRDZIK-FPOVZHCZSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001468004992 1063904713 /nfs/dbraw/zinc/90/47/13/1063904713.db2.gz RQMLQXIPSRDZIK-FPOVZHCZSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC001469319333 1064126293 /nfs/dbraw/zinc/12/62/93/1064126293.db2.gz UCVLRRAFKWQGAO-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001471044384 1064536429 /nfs/dbraw/zinc/53/64/29/1064536429.db2.gz UYICSHCDGCGUQM-FPOVZHCZSA-N 1 3 374.573 2.984 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001471044384 1064536444 /nfs/dbraw/zinc/53/64/44/1064536444.db2.gz UYICSHCDGCGUQM-FPOVZHCZSA-N 1 3 374.573 2.984 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC001471399268 1064663031 /nfs/dbraw/zinc/66/30/31/1064663031.db2.gz ZMYJJNBPHWCEER-QNDFHXLGSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC001471399268 1064663036 /nfs/dbraw/zinc/66/30/36/1064663036.db2.gz ZMYJJNBPHWCEER-QNDFHXLGSA-N 1 3 370.541 2.679 20 0 FFADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC2CC(C)(C)C2)CC1 ZINC001575600818 1078156734 /nfs/dbraw/zinc/15/67/34/1078156734.db2.gz LPIMAZPDEYHETK-SFHVURJKSA-N 1 3 374.577 2.917 20 0 FFADHO CC(C)c1nnc(N2CCC[C@H]([NH3+])C2)n1C[C@@H](c1cccs1)N(C)C ZINC001575887792 1078173572 /nfs/dbraw/zinc/17/35/72/1078173572.db2.gz ULGBOCCPJAWJBM-GJZGRUSLSA-N 1 3 362.547 2.693 20 0 FFADHO CC(C)c1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@H](c1cccs1)N(C)C ZINC001575883523 1078173104 /nfs/dbraw/zinc/17/31/04/1078173104.db2.gz BXJOMLDFAHIKBQ-LSDHHAIUSA-N 1 3 362.547 2.564 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(c2nnc(C3CC3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001576125476 1078198269 /nfs/dbraw/zinc/19/82/69/1078198269.db2.gz AZUICESXHIDVCO-IMJJTQAJSA-N 1 3 374.558 2.693 20 0 FFADHO C[C@H](NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)[C@@H](c1ccccc1)N(C)C ZINC001576201005 1078203953 /nfs/dbraw/zinc/20/39/53/1078203953.db2.gz PRLYDFYKNWMYQW-CUWPLCDZSA-N 1 3 358.530 2.853 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001473986047 1065434711 /nfs/dbraw/zinc/43/47/11/1065434711.db2.gz IIAIAZHLMDEZCB-OAHLLOKOSA-N 1 3 351.922 2.638 20 0 FFADHO C[NH+]1CCC(CNCc2cccc(F)c2I)CC1 ZINC001473989057 1065434957 /nfs/dbraw/zinc/43/49/57/1065434957.db2.gz QGASKWLETFBKGO-UHFFFAOYSA-N 1 3 362.230 2.862 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001474067671 1065450555 /nfs/dbraw/zinc/45/05/55/1065450555.db2.gz CLFZUEGTYYGQGD-UXHICEINSA-N 1 3 368.481 2.736 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC23CCC3)CCN1Cc1ccccc1 ZINC001576718868 1078265308 /nfs/dbraw/zinc/26/53/08/1078265308.db2.gz UUJJEAPZTNIAER-UYAOXDASSA-N 1 3 355.526 2.889 20 0 FFADHO CC[C@H](C)c1nnc(N2CC[C@@H]([NH3+])C2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001577023027 1078295749 /nfs/dbraw/zinc/29/57/49/1078295749.db2.gz WGXKSOQYUGBNOU-BMGDILEWSA-N 1 3 374.508 2.771 20 0 FFADHO CCCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCCCN1C1CC1 ZINC001577512788 1078372465 /nfs/dbraw/zinc/37/24/65/1078372465.db2.gz DSTQWJCXKRUXEW-ROUUACIJSA-N 1 3 360.550 2.956 20 0 FFADHO CCC[NH2+]CCn1c(-c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577561792 1078376483 /nfs/dbraw/zinc/37/64/83/1078376483.db2.gz LTTSXEAMJJIEOL-UHFFFAOYSA-N 1 3 370.545 2.865 20 0 FFADHO CN(C)[C@@H](Cn1c(C2CC2)nnc1N1CCC(C[NH3+])CC1)c1ccccc1 ZINC001578409447 1078471209 /nfs/dbraw/zinc/47/12/09/1078471209.db2.gz ZAGNKRLBQGWVNR-IBGZPJMESA-N 1 3 368.529 2.634 20 0 FFADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001578622948 1078504448 /nfs/dbraw/zinc/50/44/48/1078504448.db2.gz AUZVBUDFBOEJSJ-ORYQWCPZSA-N 1 3 369.484 2.765 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@@H]3CCCC[C@]3(C[NH3+])C2)cc1 ZINC001579198796 1078586790 /nfs/dbraw/zinc/58/67/90/1078586790.db2.gz BVVTZTBGLYWULB-CUWPLCDZSA-N 1 3 359.514 2.712 20 0 FFADHO COc1ccc(F)cc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001579223759 1078593569 /nfs/dbraw/zinc/59/35/69/1078593569.db2.gz QASZZYUBCDXPTA-UHFFFAOYSA-N 1 3 357.473 2.917 20 0 FFADHO CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001548474632 1073415689 /nfs/dbraw/zinc/41/56/89/1073415689.db2.gz XOQXYFNBMYPMKJ-RTWAWAEBSA-N 1 3 371.525 2.608 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1c1ccccc1F ZINC001549032234 1073602915 /nfs/dbraw/zinc/60/29/15/1073602915.db2.gz DWHGDSXPCYUKPI-TZIWHRDSSA-N 1 3 367.468 2.988 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 ZINC001549036008 1073603874 /nfs/dbraw/zinc/60/38/74/1073603874.db2.gz OOKQKAGRYOSLNJ-LAUBAEHRSA-N 1 3 370.541 2.986 20 0 FFADHO CN1C[C@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)[C@@H](c2ccccc2)C1 ZINC001549173947 1073675681 /nfs/dbraw/zinc/67/56/81/1073675681.db2.gz RLXLHMVPFUEZKV-ILWGZMRPSA-N 1 3 357.542 2.565 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550421644 1074259221 /nfs/dbraw/zinc/25/92/21/1074259221.db2.gz AJMVVZWTTNJWDT-JFRXWTBNSA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550421644 1074259225 /nfs/dbraw/zinc/25/92/25/1074259225.db2.gz AJMVVZWTTNJWDT-JFRXWTBNSA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnc([C@H]3CCCO3)s1)[C@@H](O)C2 ZINC001550422523 1074261177 /nfs/dbraw/zinc/26/11/77/1074261177.db2.gz XXYQUGXKTSILHW-BCDMZGRMSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnc([C@H]3CCCO3)s1)[C@@H](O)C2 ZINC001550422523 1074261183 /nfs/dbraw/zinc/26/11/83/1074261183.db2.gz XXYQUGXKTSILHW-BCDMZGRMSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnc(-c3ccccc3)nc1)[C@@H](O)C2 ZINC001550423976 1074262052 /nfs/dbraw/zinc/26/20/52/1074262052.db2.gz VSBNSVFRWCAGGZ-AQCRLBJHSA-N 1 3 366.509 2.713 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnc(-c3ccccc3)nc1)[C@@H](O)C2 ZINC001550423976 1074262055 /nfs/dbraw/zinc/26/20/55/1074262055.db2.gz VSBNSVFRWCAGGZ-AQCRLBJHSA-N 1 3 366.509 2.713 20 0 FFADHO C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001550476627 1074291563 /nfs/dbraw/zinc/29/15/63/1074291563.db2.gz AQDPEMBECZKNLM-LRDDRELGSA-N 1 3 366.893 2.542 20 0 FFADHO Cn1nccc1[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001550516350 1074327701 /nfs/dbraw/zinc/32/77/01/1074327701.db2.gz GRIQJKCEBVUHLP-VQTJNVASSA-N 1 3 353.514 2.953 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)s1 ZINC001550741132 1074454459 /nfs/dbraw/zinc/45/44/59/1074454459.db2.gz RDQSJJXCAGYKSR-RBUKOAKNSA-N 1 3 372.538 2.755 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC001551237547 1074658313 /nfs/dbraw/zinc/65/83/13/1074658313.db2.gz TXKGVDGVTTTZQN-UHFFFAOYSA-N 1 3 373.476 2.530 20 0 FFADHO [NH3+][C@@H]1CC12CCC(NC(=O)N[C@H](CN1CCCC1)c1ccccc1)CC2 ZINC001551551737 1074754230 /nfs/dbraw/zinc/75/42/30/1074754230.db2.gz FKGYALDTUJMVHF-XTBIFASLSA-N 1 3 356.514 2.783 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)c2cccs2)CC1 ZINC001551601186 1074768659 /nfs/dbraw/zinc/76/86/59/1074768659.db2.gz LRCRRFORWNAJIU-VOLNDZDFSA-N 1 3 362.543 2.700 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)s1 ZINC001552347243 1075063333 /nfs/dbraw/zinc/06/33/33/1075063333.db2.gz PZDHQPIGIIFGDR-QGZVFWFLSA-N 1 3 364.559 2.729 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC001553441008 1075309193 /nfs/dbraw/zinc/30/91/93/1075309193.db2.gz MTWDNLUJVOFDAO-PMACEKPBSA-N 1 3 370.541 2.607 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CCCCN2C2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC001556103931 1075701076 /nfs/dbraw/zinc/70/10/76/1075701076.db2.gz GQIWOESCWJIKSS-IPMKNSEASA-N 1 3 365.587 2.822 20 0 FFADHO CN(C)c1nc(Cl)c(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC001560926939 1076311207 /nfs/dbraw/zinc/31/12/07/1076311207.db2.gz CNFCIHDUNFXBPY-UHFFFAOYSA-N 1 3 372.966 2.843 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001560958391 1076313696 /nfs/dbraw/zinc/31/36/96/1076313696.db2.gz UELMRBMNQHFWPU-OHTSDLOESA-N 1 3 367.534 2.619 20 0 FFADHO O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC001565790830 1076766667 /nfs/dbraw/zinc/76/66/67/1076766667.db2.gz JRGUPBJHVYRGIW-UHFFFAOYSA-N 1 3 368.481 2.665 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C[N@@H+]2C1 ZINC001565792898 1076767137 /nfs/dbraw/zinc/76/71/37/1076767137.db2.gz PXRLEDKGMVEUGH-HZEGPAAWSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C[N@H+]2C1 ZINC001565792898 1076767139 /nfs/dbraw/zinc/76/71/39/1076767139.db2.gz PXRLEDKGMVEUGH-HZEGPAAWSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1)[NH+](C)C ZINC001565915019 1076799074 /nfs/dbraw/zinc/79/90/74/1076799074.db2.gz DDFZYTXULNPPJH-KHYOSLBOSA-N 1 3 367.484 2.926 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001565916744 1076800580 /nfs/dbraw/zinc/80/05/80/1076800580.db2.gz OBBRXLGHFSNERR-RRFJBIMHSA-N 1 3 354.445 2.571 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCOc1cccc2ccccc21 ZINC001566102157 1076906836 /nfs/dbraw/zinc/90/68/36/1076906836.db2.gz LWTDXURGMATQTL-XLIONFOSSA-N 1 3 369.509 2.749 20 0 FFADHO CCC1(NCc2csc(C)n2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001570255087 1077193469 /nfs/dbraw/zinc/19/34/69/1077193469.db2.gz PEKHZWGFJHECSQ-RHSMWYFYSA-N 1 3 364.559 2.653 20 0 FFADHO CCC1(NCc2csc(C)n2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001570255087 1077193472 /nfs/dbraw/zinc/19/34/72/1077193472.db2.gz PEKHZWGFJHECSQ-RHSMWYFYSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170352 514067857 /nfs/dbraw/zinc/06/78/57/514067857.db2.gz LRKRVOSXCDIYIP-HACGYAERSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170352 514067850 /nfs/dbraw/zinc/06/78/50/514067850.db2.gz LRKRVOSXCDIYIP-HACGYAERSA-N 1 3 373.310 2.717 20 0 FFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000411312109 512576407 /nfs/dbraw/zinc/57/64/07/512576407.db2.gz YSHQZLBYTZOXLS-KRWDZBQOSA-N 1 3 352.544 2.954 20 0 FFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(SC)cc2)CC1 ZINC000411312109 512576400 /nfs/dbraw/zinc/57/64/00/512576400.db2.gz YSHQZLBYTZOXLS-KRWDZBQOSA-N 1 3 352.544 2.954 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@H]1C ZINC000372986095 512119989 /nfs/dbraw/zinc/11/99/89/512119989.db2.gz RZKZBZAOXGMEFR-GBESFXJTSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000130841355 250939397 /nfs/dbraw/zinc/93/93/97/250939397.db2.gz PPYSYZUURZWRLJ-HNNXBMFYSA-N 1 3 356.470 2.968 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272393545 252028335 /nfs/dbraw/zinc/02/83/35/252028335.db2.gz JEIPHHHXQMXNGM-PXNSSMCTSA-N 1 3 374.529 2.965 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272412315 252031195 /nfs/dbraw/zinc/03/11/95/252031195.db2.gz FRJDKXKQFQHDRM-PMACEKPBSA-N 1 3 358.530 2.764 20 0 FFADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000272860424 252150371 /nfs/dbraw/zinc/15/03/71/252150371.db2.gz LZPLQCQNNHOVKN-HKUYNNGSSA-N 1 3 351.441 2.699 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000273471199 252313079 /nfs/dbraw/zinc/31/30/79/252313079.db2.gz ONCDGBQYRZXGJZ-PXNSSMCTSA-N 1 3 360.546 2.531 20 0 FFADHO C[C@H]1C[N@H+](CCCNC(=O)c2cccc(CN3CCCC3)c2)CCCO1 ZINC000277321485 256184488 /nfs/dbraw/zinc/18/44/88/256184488.db2.gz ABDHQCDAVSOLPA-SFHVURJKSA-N 1 3 359.514 2.513 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC(=O)c2cccc(CN3CCCC3)c2)CCCO1 ZINC000277321485 256184493 /nfs/dbraw/zinc/18/44/93/256184493.db2.gz ABDHQCDAVSOLPA-SFHVURJKSA-N 1 3 359.514 2.513 20 0 FFADHO COCc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000278456269 256315042 /nfs/dbraw/zinc/31/50/42/256315042.db2.gz ITDHOCKHXAECOG-IRXDYDNUSA-N 1 3 350.503 2.993 20 0 FFADHO COCc1cc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000278456269 256315044 /nfs/dbraw/zinc/31/50/44/256315044.db2.gz ITDHOCKHXAECOG-IRXDYDNUSA-N 1 3 350.503 2.993 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000278478447 256317198 /nfs/dbraw/zinc/31/71/98/256317198.db2.gz KIOBCZXPCGRKOL-KCZVDYSFSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000278789709 256348103 /nfs/dbraw/zinc/34/81/03/256348103.db2.gz XZIJVZYBHYYIGH-KRWDZBQOSA-N 1 3 374.529 2.508 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000278764303 256345449 /nfs/dbraw/zinc/34/54/49/256345449.db2.gz KJTHFFKJTRMWNT-NRFANRHFSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000286356164 257033162 /nfs/dbraw/zinc/03/31/62/257033162.db2.gz YZYAALRXPHNBEM-KURKYZTESA-N 1 3 357.502 2.807 20 0 FFADHO c1ccc(N2CCN(CCCN3CC[C@H](C[NH+]4CCCC4)C3)CC2)cc1 ZINC000286512000 257040605 /nfs/dbraw/zinc/04/06/05/257040605.db2.gz RVLWVOCYJKLLJF-OAQYLSRUSA-N 1 3 356.558 2.616 20 0 FFADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287609886 257098426 /nfs/dbraw/zinc/09/84/26/257098426.db2.gz PCCOKCHDNXDPPI-CBQMWWCCSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287609886 257098427 /nfs/dbraw/zinc/09/84/27/257098427.db2.gz PCCOKCHDNXDPPI-CBQMWWCCSA-N 1 3 370.541 2.918 20 0 FFADHO CCN(C[C@@H](C)OC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000291332179 257398253 /nfs/dbraw/zinc/39/82/53/257398253.db2.gz VWWVWCDPRHGTJA-MSOLQXFVSA-N 1 3 361.530 2.513 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291161112 257388890 /nfs/dbraw/zinc/38/88/90/257388890.db2.gz MBQRPKJVWOTRPL-GOSISDBHSA-N 1 3 373.463 2.697 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000291273076 257394907 /nfs/dbraw/zinc/39/49/07/257394907.db2.gz YCYWLGAVACDFBO-UHFFFAOYSA-N 1 3 374.554 2.885 20 0 FFADHO c1csc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCOCC2)c1 ZINC000294176442 257577028 /nfs/dbraw/zinc/57/70/28/257577028.db2.gz JSVQBYKLISOOME-IBGZPJMESA-N 1 3 372.538 2.775 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000299578518 258006786 /nfs/dbraw/zinc/00/67/86/258006786.db2.gz XBEZCXUAXVUPLB-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000311382032 258115585 /nfs/dbraw/zinc/11/55/85/258115585.db2.gz BJYRGVVVEZDQIL-SJLPKXTDSA-N 1 3 373.522 2.507 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)CC1 ZINC000332543412 258234766 /nfs/dbraw/zinc/23/47/66/258234766.db2.gz LWJVLJUOBAFLJF-UHFFFAOYSA-N 1 3 350.551 2.798 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000333119013 258251117 /nfs/dbraw/zinc/25/11/17/258251117.db2.gz AGFQWVUKSOYDQI-INIZCTEOSA-N 1 3 368.591 2.507 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368941521 512147896 /nfs/dbraw/zinc/14/78/96/512147896.db2.gz JKXPNDSMFVOZGZ-WOJBJXKFSA-N 1 3 358.530 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368941521 512147900 /nfs/dbraw/zinc/14/79/00/512147900.db2.gz JKXPNDSMFVOZGZ-WOJBJXKFSA-N 1 3 358.530 2.907 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000066190967 506443370 /nfs/dbraw/zinc/44/33/70/506443370.db2.gz IQVPAADUUMSDRR-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000066190967 506443374 /nfs/dbraw/zinc/44/33/74/506443374.db2.gz IQVPAADUUMSDRR-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000054509762 506568658 /nfs/dbraw/zinc/56/86/58/506568658.db2.gz BWWDHEOLPKCRLQ-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000054509762 506568663 /nfs/dbraw/zinc/56/86/63/506568663.db2.gz BWWDHEOLPKCRLQ-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000043239285 506719667 /nfs/dbraw/zinc/71/96/67/506719667.db2.gz RFPDHMVOEDSVEE-OAQYLSRUSA-N 1 3 370.541 2.778 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068582257 507279620 /nfs/dbraw/zinc/27/96/20/507279620.db2.gz KZNKMPWGXCEZJU-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CSCc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050800109 507713736 /nfs/dbraw/zinc/71/37/36/507713736.db2.gz UZIDNEMZCZLZFL-UHFFFAOYSA-N 1 3 361.555 2.838 20 0 FFADHO CC(C)c1ccc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801488 507713846 /nfs/dbraw/zinc/71/38/46/507713846.db2.gz YBGJKVRIYQKAMF-UHFFFAOYSA-N 1 3 373.541 2.864 20 0 FFADHO Cc1ccc(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000050803208 507715803 /nfs/dbraw/zinc/71/58/03/507715803.db2.gz OYWOONFVRAJCOO-UHFFFAOYSA-N 1 3 373.541 2.747 20 0 FFADHO C[C@H](Sc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802860 507716237 /nfs/dbraw/zinc/71/62/37/507716237.db2.gz JFZCPAKWQLXQTR-INIZCTEOSA-N 1 3 361.555 2.842 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000052523470 507812172 /nfs/dbraw/zinc/81/21/72/507812172.db2.gz YSARQTXSVXXGSV-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000052523470 507812173 /nfs/dbraw/zinc/81/21/73/507812173.db2.gz YSARQTXSVXXGSV-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000052523485 507812232 /nfs/dbraw/zinc/81/22/32/507812232.db2.gz ZVIGDLXSNFEPTH-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000373502335 512364281 /nfs/dbraw/zinc/36/42/81/512364281.db2.gz XMBGFAAIHCEEDB-FQEVSTJZSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000373502335 512364286 /nfs/dbraw/zinc/36/42/86/512364286.db2.gz XMBGFAAIHCEEDB-FQEVSTJZSA-N 1 3 371.529 2.531 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108537447 507901823 /nfs/dbraw/zinc/90/18/23/507901823.db2.gz CLNMTMRKWAGYQX-PMACEKPBSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108537447 507901825 /nfs/dbraw/zinc/90/18/25/507901825.db2.gz CLNMTMRKWAGYQX-PMACEKPBSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000108545057 507902435 /nfs/dbraw/zinc/90/24/35/507902435.db2.gz BNJNRKACMPTIFN-NRFANRHFSA-N 1 3 370.541 2.956 20 0 FFADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2c(c1)OCO2 ZINC000090038820 507903669 /nfs/dbraw/zinc/90/36/69/507903669.db2.gz AYZBVONZJBYLQP-HNNXBMFYSA-N 1 3 369.465 2.558 20 0 FFADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524552 507926272 /nfs/dbraw/zinc/92/62/72/507926272.db2.gz UHRWZZSBLRHWSF-LZQZEXGQSA-N 1 3 360.498 2.876 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000073560824 507931699 /nfs/dbraw/zinc/93/16/99/507931699.db2.gz OWNUSGRLXHLNNB-UYAOXDASSA-N 1 3 358.530 2.731 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000073560824 507931703 /nfs/dbraw/zinc/93/17/03/507931703.db2.gz OWNUSGRLXHLNNB-UYAOXDASSA-N 1 3 358.530 2.731 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091285107 507979157 /nfs/dbraw/zinc/97/91/57/507979157.db2.gz FZXBIVDBGUKWOI-HNNXBMFYSA-N 1 3 363.937 2.905 20 0 FFADHO C[C@H](CNC(=O)NC1CCN(CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000079974297 508022070 /nfs/dbraw/zinc/02/20/70/508022070.db2.gz IWZVTLQSINJLMP-LJQANCHMSA-N 1 3 372.557 2.725 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000092073252 508040899 /nfs/dbraw/zinc/04/08/99/508040899.db2.gz YHYRDJXCHCYBKR-IBGZPJMESA-N 1 3 353.514 2.931 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000092073252 508040901 /nfs/dbraw/zinc/04/09/01/508040901.db2.gz YHYRDJXCHCYBKR-IBGZPJMESA-N 1 3 353.514 2.931 20 0 FFADHO CC(C)CN(C(=O)CC1(N2CCOCC2)CCCC1)C1CC[NH+](C)CC1 ZINC000074676848 508046946 /nfs/dbraw/zinc/04/69/46/508046946.db2.gz PTZLUBCQXOHALR-UHFFFAOYSA-N 1 3 365.562 2.600 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074832379 508059646 /nfs/dbraw/zinc/05/96/46/508059646.db2.gz OZHZBJZYICOZFP-UYAOXDASSA-N 1 3 358.530 2.663 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074832379 508059648 /nfs/dbraw/zinc/05/96/48/508059648.db2.gz OZHZBJZYICOZFP-UYAOXDASSA-N 1 3 358.530 2.663 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000080665938 508093534 /nfs/dbraw/zinc/09/35/34/508093534.db2.gz IDUFRTDXBRYXMV-HXUWFJFHSA-N 1 3 358.530 2.622 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000080665938 508093535 /nfs/dbraw/zinc/09/35/35/508093535.db2.gz IDUFRTDXBRYXMV-HXUWFJFHSA-N 1 3 358.530 2.622 20 0 FFADHO CN(C)c1ccccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000075751398 508132428 /nfs/dbraw/zinc/13/24/28/508132428.db2.gz IKHLBQZYWCFCER-UHFFFAOYSA-N 1 3 374.573 2.669 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)N(C)C)cc1 ZINC000076319831 508186365 /nfs/dbraw/zinc/18/63/65/508186365.db2.gz KQJKFDLQQZEREN-WOJBJXKFSA-N 1 3 361.530 2.507 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369388290 512385326 /nfs/dbraw/zinc/38/53/26/512385326.db2.gz VATYGFWEURXPGS-UFYCRDLUSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369388290 512385330 /nfs/dbraw/zinc/38/53/30/512385330.db2.gz VATYGFWEURXPGS-UFYCRDLUSA-N 1 3 356.514 2.577 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114834600 508352279 /nfs/dbraw/zinc/35/22/79/508352279.db2.gz OBXJLZAXSBUCCU-FQEVSTJZSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000105126173 508362280 /nfs/dbraw/zinc/36/22/80/508362280.db2.gz JQTCJOIEVARNDD-PMACEKPBSA-N 1 3 358.530 2.559 20 0 FFADHO COc1ccc(Br)cc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000105476963 508373820 /nfs/dbraw/zinc/37/38/20/508373820.db2.gz YEQPCUJNKNYZFT-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO COc1ccc(Br)cc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000105476963 508373822 /nfs/dbraw/zinc/37/38/22/508373822.db2.gz YEQPCUJNKNYZFT-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000115645606 508421390 /nfs/dbraw/zinc/42/13/90/508421390.db2.gz IOBVXUQYXDDVLD-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000156545375 508436981 /nfs/dbraw/zinc/43/69/81/508436981.db2.gz RJGDVTKCSGSSFZ-XLIONFOSSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000156545375 508436984 /nfs/dbraw/zinc/43/69/84/508436984.db2.gz RJGDVTKCSGSSFZ-XLIONFOSSA-N 1 3 361.530 2.615 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115826465 508443321 /nfs/dbraw/zinc/44/33/21/508443321.db2.gz JVADHDUQMJWYKC-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115826465 508443324 /nfs/dbraw/zinc/44/33/24/508443324.db2.gz JVADHDUQMJWYKC-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000121929919 508451158 /nfs/dbraw/zinc/45/11/58/508451158.db2.gz RHYVXIAEQMLYDM-BHIYHBOVSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000121929919 508451162 /nfs/dbraw/zinc/45/11/62/508451162.db2.gz RHYVXIAEQMLYDM-BHIYHBOVSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000152716583 508500271 /nfs/dbraw/zinc/50/02/71/508500271.db2.gz YKYAZLULMFFENT-GHTZIAJQSA-N 1 3 357.542 2.836 20 0 FFADHO CCN1CCCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000152770900 508513389 /nfs/dbraw/zinc/51/33/89/508513389.db2.gz ZSFYLBZBFIZZPY-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000116545892 508528763 /nfs/dbraw/zinc/52/87/63/508528763.db2.gz NSFUDCPDRHCSBV-SJORKVTESA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000116545892 508528766 /nfs/dbraw/zinc/52/87/66/508528766.db2.gz NSFUDCPDRHCSBV-SJORKVTESA-N 1 3 358.530 2.994 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000157231576 508540554 /nfs/dbraw/zinc/54/05/54/508540554.db2.gz NZDYVIPDFSSRSU-DOTOQJQBSA-N 1 3 357.420 2.541 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157259980 508543904 /nfs/dbraw/zinc/54/39/04/508543904.db2.gz YLRLZJBFQVGBSG-LEWJYISDSA-N 1 3 372.557 2.819 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000153693615 508627122 /nfs/dbraw/zinc/62/71/22/508627122.db2.gz QBYMAWHGVXVZNT-NRFANRHFSA-N 1 3 373.541 2.788 20 0 FFADHO CC(=O)c1cccc(OC[C@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123112649 508638719 /nfs/dbraw/zinc/63/87/19/508638719.db2.gz BINPUZMGRYIGNU-HXUWFJFHSA-N 1 3 362.514 2.683 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)o1 ZINC000129000592 508669080 /nfs/dbraw/zinc/66/90/80/508669080.db2.gz XJUVZKUBNBAGFJ-QGZVFWFLSA-N 1 3 364.534 2.782 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000123343942 508672703 /nfs/dbraw/zinc/67/27/03/508672703.db2.gz RCPNILXANBVOQX-FQEVSTJZSA-N 1 3 360.546 2.915 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000123343942 508672706 /nfs/dbraw/zinc/67/27/06/508672706.db2.gz RCPNILXANBVOQX-FQEVSTJZSA-N 1 3 360.546 2.915 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158286493 508683709 /nfs/dbraw/zinc/68/37/09/508683709.db2.gz ILXFCXZCZMQBFL-MHJFOBGBSA-N 1 3 360.546 2.579 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000129455428 508728681 /nfs/dbraw/zinc/72/86/81/508728681.db2.gz AKRYPVCKJBVAEQ-GOSISDBHSA-N 1 3 358.530 2.553 20 0 FFADHO Fc1ccc(CCN2CCC([NH2+]CCCCN3CCOCC3)CC2)cc1 ZINC000158778933 508751149 /nfs/dbraw/zinc/75/11/49/508751149.db2.gz GYQOMGTXABVGMC-UHFFFAOYSA-N 1 3 363.521 2.535 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000154352946 508766543 /nfs/dbraw/zinc/76/65/43/508766543.db2.gz PGPLSHXTGMFBNW-KRWDZBQOSA-N 1 3 373.545 2.649 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000154454661 508788308 /nfs/dbraw/zinc/78/83/08/508788308.db2.gz VDYLVKJWDKULHV-FQEVSTJZSA-N 1 3 361.530 2.916 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(C(=O)OC)CC2)CC1 ZINC000159203360 508807485 /nfs/dbraw/zinc/80/74/85/508807485.db2.gz VPNUEPRDMCHIER-UHFFFAOYSA-N 1 3 359.514 2.604 20 0 FFADHO CCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159239166 508813040 /nfs/dbraw/zinc/81/30/40/508813040.db2.gz QEXVHXMWAVVHLP-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159239166 508813043 /nfs/dbraw/zinc/81/30/43/508813043.db2.gz QEXVHXMWAVVHLP-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCCCC3CCOCC3)CC2)CC1 ZINC000375610095 512420038 /nfs/dbraw/zinc/42/00/38/512420038.db2.gz BLDRHJFAAHAQLW-UHFFFAOYSA-N 1 3 351.579 2.933 20 0 FFADHO CCCS(=O)(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000154890217 508876809 /nfs/dbraw/zinc/87/68/09/508876809.db2.gz RUCALQMGVWZZHJ-UHFFFAOYSA-N 1 3 371.591 2.577 20 0 FFADHO CC[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000124909134 508903451 /nfs/dbraw/zinc/90/34/51/508903451.db2.gz XPPWJHPBLBMZRV-HXUWFJFHSA-N 1 3 361.530 2.514 20 0 FFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000120029982 508913123 /nfs/dbraw/zinc/91/31/23/508913123.db2.gz GIZUBAOIBNWCDZ-IBGZPJMESA-N 1 3 363.546 2.642 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000131353242 508920397 /nfs/dbraw/zinc/92/03/97/508920397.db2.gz PHHFLCPRVNSBOW-UHFFFAOYSA-N 1 3 359.474 2.662 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000155314511 508975082 /nfs/dbraw/zinc/97/50/82/508975082.db2.gz DFJGUNUQOMMAGI-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000155314511 508975085 /nfs/dbraw/zinc/97/50/85/508975085.db2.gz DFJGUNUQOMMAGI-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCN1C1CCOCC1 ZINC000151268241 508989410 /nfs/dbraw/zinc/98/94/10/508989410.db2.gz UYBSVFRSCAZRHU-NRFANRHFSA-N 1 3 371.525 2.907 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000377746499 512430940 /nfs/dbraw/zinc/43/09/40/512430940.db2.gz DGVPDEZUDCRODD-HBMCJLEFSA-N 1 3 355.526 2.884 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)CN1CCCCC1 ZINC000125602715 509005003 /nfs/dbraw/zinc/00/50/03/509005003.db2.gz CUDFWMUCENGELF-CVEARBPZSA-N 1 3 353.532 2.831 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151413485 509011269 /nfs/dbraw/zinc/01/12/69/509011269.db2.gz HSFAKCRBRWCWHH-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000151413485 509011270 /nfs/dbraw/zinc/01/12/70/509011270.db2.gz HSFAKCRBRWCWHH-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N1CCN(C)CC1 ZINC000132383562 509024381 /nfs/dbraw/zinc/02/43/81/509024381.db2.gz VLBQJHYNWWDHMK-HSZRJFAPSA-N 1 3 372.601 2.555 20 0 FFADHO CC1CCN([C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)c2cccs2)CC1 ZINC000133367334 509152056 /nfs/dbraw/zinc/15/20/56/509152056.db2.gz YWKOHJRFIJGBIZ-HZPDHXFCSA-N 1 3 367.584 2.732 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000182336675 509181970 /nfs/dbraw/zinc/18/19/70/509181970.db2.gz UIEGTNQZLHNUBK-NHCUHLMSSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000182336675 509181971 /nfs/dbraw/zinc/18/19/71/509181971.db2.gz UIEGTNQZLHNUBK-NHCUHLMSSA-N 1 3 370.541 2.561 20 0 FFADHO CC[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000182377952 509203027 /nfs/dbraw/zinc/20/30/27/509203027.db2.gz KYAJSGDAJPLHHD-LEWJYISDSA-N 1 3 373.541 2.623 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[C@@H]1c1ccccc1 ZINC000247992100 509212907 /nfs/dbraw/zinc/21/29/07/509212907.db2.gz JJRHZELMMRILAT-ZRNYENFQSA-N 1 3 356.514 2.558 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[C@@H]1c1ccccc1 ZINC000247992100 509212912 /nfs/dbraw/zinc/21/29/12/509212912.db2.gz JJRHZELMMRILAT-ZRNYENFQSA-N 1 3 356.514 2.558 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cc1C ZINC000175980569 509253581 /nfs/dbraw/zinc/25/35/81/509253581.db2.gz KIVCXVPDQLVLAP-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cc1C ZINC000175980569 509253589 /nfs/dbraw/zinc/25/35/89/509253589.db2.gz KIVCXVPDQLVLAP-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CC[C@@H](NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1nccn1C ZINC000182474403 509257800 /nfs/dbraw/zinc/25/78/00/509257800.db2.gz NTBKRGRUVNYONK-HXUWFJFHSA-N 1 3 355.530 2.799 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CN1C1CC1 ZINC000185620010 509269930 /nfs/dbraw/zinc/26/99/30/509269930.db2.gz SJHCGJWYGUIMFF-SJORKVTESA-N 1 3 350.551 2.956 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1csc(Br)c1 ZINC000179129355 509277832 /nfs/dbraw/zinc/27/78/32/509277832.db2.gz BGQMYLWDNMRQPI-UHFFFAOYSA-N 1 3 360.365 2.968 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000185637932 509277978 /nfs/dbraw/zinc/27/79/78/509277978.db2.gz LYJDZWISRSIZBR-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176044664 509292358 /nfs/dbraw/zinc/29/23/58/509292358.db2.gz IWVOEGAONWTEGN-RXVVDRJESA-N 1 3 372.557 2.675 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000162799882 509304394 /nfs/dbraw/zinc/30/43/94/509304394.db2.gz OEKDZOPFNAVFMP-PVAVHDDUSA-N 1 3 353.304 2.899 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000162799882 509304395 /nfs/dbraw/zinc/30/43/95/509304395.db2.gz OEKDZOPFNAVFMP-PVAVHDDUSA-N 1 3 353.304 2.899 20 0 FFADHO C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCN1CC(C)(C)O ZINC000188887938 509310405 /nfs/dbraw/zinc/31/04/05/509310405.db2.gz YNGFEHPLXPXXGR-LJQANCHMSA-N 1 3 361.574 2.922 20 0 FFADHO C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCN1CC(C)(C)O ZINC000188887938 509310413 /nfs/dbraw/zinc/31/04/13/509310413.db2.gz YNGFEHPLXPXXGR-LJQANCHMSA-N 1 3 361.574 2.922 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C[NH+]1CCCCC1 ZINC000179190913 509312155 /nfs/dbraw/zinc/31/21/55/509312155.db2.gz BECUQCZVFJSHIB-MISYRCLQSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733890 509330303 /nfs/dbraw/zinc/33/03/03/509330303.db2.gz GDAKVDMGEPGGSE-HOTGVXAUSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@H](NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733890 509330310 /nfs/dbraw/zinc/33/03/10/509330310.db2.gz GDAKVDMGEPGGSE-HOTGVXAUSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185733890 509330315 /nfs/dbraw/zinc/33/03/15/509330315.db2.gz GDAKVDMGEPGGSE-HOTGVXAUSA-N 1 3 355.482 2.525 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000176158112 509352257 /nfs/dbraw/zinc/35/22/57/509352257.db2.gz VVAFQIMEBAGRDF-NSCUHMNNSA-N 1 3 359.489 2.904 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000163500078 509384841 /nfs/dbraw/zinc/38/48/41/509384841.db2.gz UHMNKMVBCOOQRX-UWJYYQICSA-N 1 3 373.541 2.974 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CSCCN2)CC1 ZINC000236629921 509468064 /nfs/dbraw/zinc/46/80/64/509468064.db2.gz XUDCXHSGBPSGFB-LJQANCHMSA-N 1 3 361.555 2.630 20 0 FFADHO CC(C)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000236669962 509476649 /nfs/dbraw/zinc/47/66/49/509476649.db2.gz PCTJGKSGPNYSEB-NRFANRHFSA-N 1 3 351.494 2.958 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000236828233 509513452 /nfs/dbraw/zinc/51/34/52/509513452.db2.gz NORIZMLLJGESNS-OALUTQOASA-N 1 3 359.514 2.584 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000176493216 509542678 /nfs/dbraw/zinc/54/26/78/509542678.db2.gz QOCZQQYMFRBZCM-QFBILLFUSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000165059235 509553562 /nfs/dbraw/zinc/55/35/62/509553562.db2.gz DWFMODSJOUKTQP-QGZVFWFLSA-N 1 3 361.530 2.926 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000165360815 509568979 /nfs/dbraw/zinc/56/89/79/509568979.db2.gz RDGJBLAQKLUDPZ-IRXDYDNUSA-N 1 3 353.576 2.762 20 0 FFADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173422534 509588066 /nfs/dbraw/zinc/58/80/66/509588066.db2.gz YAKQQOUCOFLMSG-CRAIPNDOSA-N 1 3 369.575 2.954 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](N)CC(C)C)ccc1OC ZINC000166181510 509596635 /nfs/dbraw/zinc/59/66/35/509596635.db2.gz ITLMHFBIZBMMKP-INIZCTEOSA-N 1 3 351.491 2.728 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000237325224 509623782 /nfs/dbraw/zinc/62/37/82/509623782.db2.gz PPDUSOMJCCLGJK-DSKINZAPSA-N 1 3 373.541 2.974 20 0 FFADHO COc1ccc([C@H](C[NH2+]C2CCN(C(C)C)CC2)N2CCOCC2)cc1 ZINC000237331078 509624333 /nfs/dbraw/zinc/62/43/33/509624333.db2.gz XKKIXZOECYRLJY-NRFANRHFSA-N 1 3 361.530 2.531 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000189537236 509626771 /nfs/dbraw/zinc/62/67/71/509626771.db2.gz KIAACFOTKHXPJC-LJQANCHMSA-N 1 3 358.530 2.949 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000249289065 509648907 /nfs/dbraw/zinc/64/89/07/509648907.db2.gz MBYZQHMIPIVDGB-BJLQDIEVSA-N 1 3 367.578 2.893 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000183255622 509681676 /nfs/dbraw/zinc/68/16/76/509681676.db2.gz DAQNGFWXICPOQV-UHFFFAOYSA-N 1 3 362.518 2.967 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000237602839 509686493 /nfs/dbraw/zinc/68/64/93/509686493.db2.gz VOFKCTMAMKHETD-LVCYWYKZSA-N 1 3 373.541 2.814 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C[NH3+])cc3)CC2)c1 ZINC000237720069 509719217 /nfs/dbraw/zinc/71/92/17/509719217.db2.gz YGBUZWACTMUIMM-UHFFFAOYSA-N 1 3 352.482 2.605 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000183430969 509784557 /nfs/dbraw/zinc/78/45/57/509784557.db2.gz XGWHXXYJFLMTJK-JKSUJKDBSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000183430969 509784565 /nfs/dbraw/zinc/78/45/65/509784565.db2.gz XGWHXXYJFLMTJK-JKSUJKDBSA-N 1 3 361.486 2.512 20 0 FFADHO CC(C)(CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000193157847 509801560 /nfs/dbraw/zinc/80/15/60/509801560.db2.gz PGNXOXGSVGIRQV-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000264974073 509804689 /nfs/dbraw/zinc/80/46/89/509804689.db2.gz JBMAPXPZBBPTCN-GFCCVEGCSA-N 1 3 372.282 2.800 20 0 FFADHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000264974073 509804693 /nfs/dbraw/zinc/80/46/93/509804693.db2.gz JBMAPXPZBBPTCN-GFCCVEGCSA-N 1 3 372.282 2.800 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)[NH+]1CCCC1 ZINC000171035052 509900891 /nfs/dbraw/zinc/90/08/91/509900891.db2.gz PJMQAZMGWOCNCV-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000268721478 510086584 /nfs/dbraw/zinc/08/65/84/510086584.db2.gz IOFNFYXOEXBPQU-YLJYHZDGSA-N 1 3 350.503 2.863 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858293 510105380 /nfs/dbraw/zinc/10/53/80/510105380.db2.gz IXEDUEMWYGIUKV-MQSCRBSSSA-N 1 3 372.601 2.903 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[NH+]2CCCC2)cc1 ZINC000174452977 510121652 /nfs/dbraw/zinc/12/16/52/510121652.db2.gz RLOWMLNKWBRIKM-RTWAWAEBSA-N 1 3 368.525 2.788 20 0 FFADHO C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000187271558 510162767 /nfs/dbraw/zinc/16/27/67/510162767.db2.gz KCPVWNYYWXQYTO-WIYYLYMNSA-N 1 3 373.541 2.829 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CN1C1CC1 ZINC000177632210 510169864 /nfs/dbraw/zinc/16/98/64/510169864.db2.gz CBTFSKIMLJINKQ-YLJYHZDGSA-N 1 3 370.541 2.618 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CN1C1CC1 ZINC000177632185 510170242 /nfs/dbraw/zinc/17/02/42/510170242.db2.gz CBTFSKIMLJINKQ-XLIONFOSSA-N 1 3 370.541 2.618 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262137823 510188521 /nfs/dbraw/zinc/18/85/21/510188521.db2.gz YUXYNXHUESMEBS-RTBURBONSA-N 1 3 361.555 2.951 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)cc2)CC1 ZINC000262321678 510243655 /nfs/dbraw/zinc/24/36/55/510243655.db2.gz FHCALDODLIOPDB-SIKLNZKXSA-N 1 3 370.541 2.542 20 0 FFADHO COCC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000262390445 510265983 /nfs/dbraw/zinc/26/59/83/510265983.db2.gz PJOIWFWQBDWSFQ-ICSRJNTNSA-N 1 3 373.541 2.514 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000171656261 510287401 /nfs/dbraw/zinc/28/74/01/510287401.db2.gz IXKPIDQQIJXGEX-UHFFFAOYSA-N 1 3 369.509 2.608 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000262664724 510359432 /nfs/dbraw/zinc/35/94/32/510359432.db2.gz IPAHJRYJAIIOSF-KVPLUYHFSA-N 1 3 361.530 2.576 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000262664724 510359436 /nfs/dbraw/zinc/35/94/36/510359436.db2.gz IPAHJRYJAIIOSF-KVPLUYHFSA-N 1 3 361.530 2.576 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000246275032 510402359 /nfs/dbraw/zinc/40/23/59/510402359.db2.gz JJPIEIJOJBMZDH-MISYRCLQSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000246275032 510402363 /nfs/dbraw/zinc/40/23/63/510402363.db2.gz JJPIEIJOJBMZDH-MISYRCLQSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000175011199 510435177 /nfs/dbraw/zinc/43/51/77/510435177.db2.gz YXFXQYAFCCORCY-GHTZIAJQSA-N 1 3 368.525 2.868 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3nccnc3C)cc2)CC1 ZINC000187783150 510435499 /nfs/dbraw/zinc/43/54/99/510435499.db2.gz HTTLUXZXLPUHCT-GOSISDBHSA-N 1 3 353.514 2.773 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000246379994 510456476 /nfs/dbraw/zinc/45/64/76/510456476.db2.gz QPZGREIKJJBRBA-DLBZAZTESA-N 1 3 352.548 2.915 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000246379994 510456481 /nfs/dbraw/zinc/45/64/81/510456481.db2.gz QPZGREIKJJBRBA-DLBZAZTESA-N 1 3 352.548 2.915 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000246396070 510465871 /nfs/dbraw/zinc/46/58/71/510465871.db2.gz STRZJUUBDJIPHR-IEBWSBKVSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000246520699 510534347 /nfs/dbraw/zinc/53/43/47/510534347.db2.gz XJLVEFIHBIAIFL-NRSPTQNISA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000246520699 510534353 /nfs/dbraw/zinc/53/43/53/510534353.db2.gz XJLVEFIHBIAIFL-NRSPTQNISA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181691671 510542946 /nfs/dbraw/zinc/54/29/46/510542946.db2.gz RFAMELJMCKYQGM-CALCHBBNSA-N 1 3 354.535 2.930 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000184906998 510576872 /nfs/dbraw/zinc/57/68/72/510576872.db2.gz HXKFVZJAVBMBSZ-SFHVURJKSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000184906998 510576875 /nfs/dbraw/zinc/57/68/75/510576875.db2.gz HXKFVZJAVBMBSZ-SFHVURJKSA-N 1 3 373.545 2.634 20 0 FFADHO CCN(CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000246600800 510578099 /nfs/dbraw/zinc/57/80/99/510578099.db2.gz BIBDCQHNTBSSSC-QZTJIDSGSA-N 1 3 372.557 2.927 20 0 FFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246634973 510593505 /nfs/dbraw/zinc/59/35/05/510593505.db2.gz FEUDEROEGIWJRK-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263233581 510622858 /nfs/dbraw/zinc/62/28/58/510622858.db2.gz CTKORONWQRDGQR-ISARSNTHSA-N 1 3 361.555 2.997 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263238672 510625938 /nfs/dbraw/zinc/62/59/38/510625938.db2.gz FQYVKOKFAPIUBD-QRQLOZEOSA-N 1 3 361.555 2.997 20 0 FFADHO CCCC[N@H+](C)CC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000172248830 510626005 /nfs/dbraw/zinc/62/60/05/510626005.db2.gz ZOPQZKQQYOOLLO-UHFFFAOYSA-N 1 3 356.514 2.840 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000172248830 510626012 /nfs/dbraw/zinc/62/60/12/510626012.db2.gz ZOPQZKQQYOOLLO-UHFFFAOYSA-N 1 3 356.514 2.840 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270031766 510646249 /nfs/dbraw/zinc/64/62/49/510646249.db2.gz BEAHZDSNHIJMJJ-HXUWFJFHSA-N 1 3 358.530 2.622 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C12CCCC2 ZINC000181975611 510686449 /nfs/dbraw/zinc/68/64/49/510686449.db2.gz UTDVCMLNOCYHKN-UXHICEINSA-N 1 3 373.541 2.805 20 0 FFADHO CN1CCCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000178877032 510817666 /nfs/dbraw/zinc/81/76/66/510817666.db2.gz KKXGTBSQWHFXKS-VDGAXYAQSA-N 1 3 356.514 2.688 20 0 FFADHO CC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247069433 510825713 /nfs/dbraw/zinc/82/57/13/510825713.db2.gz MXGFLUANHNZOOO-DZGCQCFKSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+]1CC[C@@H](NCCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247069433 510825714 /nfs/dbraw/zinc/82/57/14/510825714.db2.gz MXGFLUANHNZOOO-DZGCQCFKSA-N 1 3 353.894 2.997 20 0 FFADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000247224509 510853171 /nfs/dbraw/zinc/85/31/71/510853171.db2.gz OKZCRCANTHEEIX-ZWKOTPCHSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000247224509 510853172 /nfs/dbraw/zinc/85/31/72/510853172.db2.gz OKZCRCANTHEEIX-ZWKOTPCHSA-N 1 3 358.530 2.775 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000247468566 510861849 /nfs/dbraw/zinc/86/18/49/510861849.db2.gz GIGRMWOZOXEIPS-RTWAWAEBSA-N 1 3 372.557 2.725 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000247468566 510861850 /nfs/dbraw/zinc/86/18/50/510861850.db2.gz GIGRMWOZOXEIPS-RTWAWAEBSA-N 1 3 372.557 2.725 20 0 FFADHO CN1CCC([N@@H+]2CC[C@@H](N[C@H](c3ccccc3)c3ccccn3)C2)CC1 ZINC000361067434 510988742 /nfs/dbraw/zinc/98/87/42/510988742.db2.gz MZMFXXZQOYZMMI-DENIHFKCSA-N 1 3 350.510 2.929 20 0 FFADHO CN1CCC([N@H+]2CC[C@@H](N[C@H](c3ccccc3)c3ccccn3)C2)CC1 ZINC000361067434 510988747 /nfs/dbraw/zinc/98/87/47/510988747.db2.gz MZMFXXZQOYZMMI-DENIHFKCSA-N 1 3 350.510 2.929 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CCC2 ZINC000362362350 511180184 /nfs/dbraw/zinc/18/01/84/511180184.db2.gz MDRBUEYEIQEPTP-QGZVFWFLSA-N 1 3 362.562 2.767 20 0 FFADHO C[N@H+](C[C@H](O)COCc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000364988489 511194205 /nfs/dbraw/zinc/19/42/05/511194205.db2.gz MNLNZBRFUJSBKY-QFIPXVFZSA-N 1 3 369.509 2.808 20 0 FFADHO C[N@@H+](C[C@H](O)COCc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000364988489 511194211 /nfs/dbraw/zinc/19/42/11/511194211.db2.gz MNLNZBRFUJSBKY-QFIPXVFZSA-N 1 3 369.509 2.808 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@H](C)O1 ZINC000271758301 511313317 /nfs/dbraw/zinc/31/33/17/511313317.db2.gz XVMZXIYAHMWIJU-IRXDYDNUSA-N 1 3 356.514 2.895 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000365245400 511340109 /nfs/dbraw/zinc/34/01/09/511340109.db2.gz WEDIDKLYJJDQGW-AVRDEDQJSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000365245400 511340112 /nfs/dbraw/zinc/34/01/12/511340112.db2.gz WEDIDKLYJJDQGW-AVRDEDQJSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C[C@H]1[NH3+] ZINC000333921272 511392724 /nfs/dbraw/zinc/39/27/24/511392724.db2.gz QMWVTGZHJYONSC-BZUAXINKSA-N 1 3 350.532 2.510 20 0 FFADHO CCOC(=O)c1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)[nH]c1C ZINC000295453024 511410209 /nfs/dbraw/zinc/41/02/09/511410209.db2.gz QICFLOIXEARGAI-UHFFFAOYSA-N 1 3 356.470 2.901 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)NCC3=CCN(C)CC3)cc2)CC1 ZINC000272096015 511430516 /nfs/dbraw/zinc/43/05/16/511430516.db2.gz ODXXGROAAHEOMK-UHFFFAOYSA-N 1 3 370.541 2.980 20 0 FFADHO O=C(CC[C@@H]1CCC[NH2+]1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000292040893 511440983 /nfs/dbraw/zinc/44/09/83/511440983.db2.gz IDLYNGWQLSVOKJ-SFHVURJKSA-N 1 3 356.514 2.689 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292166383 511490766 /nfs/dbraw/zinc/49/07/66/511490766.db2.gz NWSAYEMRSMYPTQ-NDXORKPFSA-N 1 3 373.541 2.807 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC[C@@H]21 ZINC000284027674 511579948 /nfs/dbraw/zinc/57/99/48/511579948.db2.gz IDTUAKAHRSRQLW-VSKRKVRLSA-N 1 3 357.542 2.694 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC[C@@H]21 ZINC000284027674 511579950 /nfs/dbraw/zinc/57/99/50/511579950.db2.gz IDTUAKAHRSRQLW-VSKRKVRLSA-N 1 3 357.542 2.694 20 0 FFADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000296084348 511614411 /nfs/dbraw/zinc/61/44/11/511614411.db2.gz XORZREYRTUCHEC-PRTUASRFSA-N 1 3 358.454 2.959 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000281027710 511694042 /nfs/dbraw/zinc/69/40/42/511694042.db2.gz UYRQURPPZMBPKR-RDJZCZTQSA-N 1 3 351.922 2.961 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000281027710 511694048 /nfs/dbraw/zinc/69/40/48/511694048.db2.gz UYRQURPPZMBPKR-RDJZCZTQSA-N 1 3 351.922 2.961 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000303017154 511724025 /nfs/dbraw/zinc/72/40/25/511724025.db2.gz QDCRBGCONVKAJT-AZUAARDMSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000303017154 511724029 /nfs/dbraw/zinc/72/40/29/511724029.db2.gz QDCRBGCONVKAJT-AZUAARDMSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303079343 511727581 /nfs/dbraw/zinc/72/75/81/511727581.db2.gz TXHVEICMNBVNCF-CEXWTWQISA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303079343 511727582 /nfs/dbraw/zinc/72/75/82/511727582.db2.gz TXHVEICMNBVNCF-CEXWTWQISA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000365986554 511766957 /nfs/dbraw/zinc/76/69/57/511766957.db2.gz ZFFRWWIHHRHVOD-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311357332 511777041 /nfs/dbraw/zinc/77/70/41/511777041.db2.gz DQOYHPJFCFOXCP-SFTDATJTSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311357332 511777049 /nfs/dbraw/zinc/77/70/49/511777049.db2.gz DQOYHPJFCFOXCP-SFTDATJTSA-N 1 3 354.494 2.846 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311830527 511780402 /nfs/dbraw/zinc/78/04/02/511780402.db2.gz PAZHGHDNTJXIPT-JBACZVJFSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311830527 511780407 /nfs/dbraw/zinc/78/04/07/511780407.db2.gz PAZHGHDNTJXIPT-JBACZVJFSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311830527 511780410 /nfs/dbraw/zinc/78/04/10/511780410.db2.gz PAZHGHDNTJXIPT-JBACZVJFSA-N 1 3 354.494 2.927 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001125 511818559 /nfs/dbraw/zinc/81/85/59/511818559.db2.gz NRWNLDQBHGFKQW-IUODEOHRSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001125 511818563 /nfs/dbraw/zinc/81/85/63/511818563.db2.gz NRWNLDQBHGFKQW-IUODEOHRSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001125 511818567 /nfs/dbraw/zinc/81/85/67/511818567.db2.gz NRWNLDQBHGFKQW-IUODEOHRSA-N 1 3 359.297 2.807 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274405697 511823811 /nfs/dbraw/zinc/82/38/11/511823811.db2.gz UDKAXXCVCMKKBG-SJORKVTESA-N 1 3 357.498 2.771 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293557051 512008872 /nfs/dbraw/zinc/00/88/72/512008872.db2.gz XBAZMEIXXBUNQW-NQIIRXRSSA-N 1 3 363.521 2.911 20 0 FFADHO OCCCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000297163584 512043966 /nfs/dbraw/zinc/04/39/66/512043966.db2.gz CYMFUXLLGSPYEK-YSFYHYPLSA-N 1 3 357.542 2.618 20 0 FFADHO OCCCN1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000297163584 512043970 /nfs/dbraw/zinc/04/39/70/512043970.db2.gz CYMFUXLLGSPYEK-YSFYHYPLSA-N 1 3 357.542 2.618 20 0 FFADHO OCCCN1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000297163584 512043977 /nfs/dbraw/zinc/04/39/77/512043977.db2.gz CYMFUXLLGSPYEK-YSFYHYPLSA-N 1 3 357.542 2.618 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000364303928 512077833 /nfs/dbraw/zinc/07/78/33/512077833.db2.gz OKZJLBYSCYPDPK-QHAWAJNXSA-N 1 3 370.541 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000364303928 512077835 /nfs/dbraw/zinc/07/78/35/512077835.db2.gz OKZJLBYSCYPDPK-QHAWAJNXSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000366549913 512083091 /nfs/dbraw/zinc/08/30/91/512083091.db2.gz DSGQDSWRIGXSHY-APWZRJJASA-N 1 3 351.560 2.756 20 0 FFADHO CCN1CCN([C@@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)CC1 ZINC000411260624 512549458 /nfs/dbraw/zinc/54/94/58/512549458.db2.gz ZNWCFNYHINMEFF-HSZRJFAPSA-N 1 3 370.585 2.884 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000375969431 512594334 /nfs/dbraw/zinc/59/43/34/512594334.db2.gz PDEBBRNXGVULHS-ALOPSCKCSA-N 1 3 365.468 2.776 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000367654884 512601532 /nfs/dbraw/zinc/60/15/32/512601532.db2.gz WXDNJFINNOHMCS-AEFFLSMTSA-N 1 3 369.431 2.595 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378124285 512602920 /nfs/dbraw/zinc/60/29/20/512602920.db2.gz XQJGRRYGGGVCIG-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378124285 512602924 /nfs/dbraw/zinc/60/29/24/512602924.db2.gz XQJGRRYGGGVCIG-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO CCOC(=O)CC(C)(C)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000376504693 512847530 /nfs/dbraw/zinc/84/75/30/512847530.db2.gz DYAKCJUOUZMMTC-UHFFFAOYSA-N 1 3 367.578 2.705 20 0 FFADHO CCOC(=O)CC(C)(C)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376552195 512869029 /nfs/dbraw/zinc/86/90/29/512869029.db2.gz JKMNZBBBHFBCLK-DFNIBXOVSA-N 1 3 365.562 2.599 20 0 FFADHO CCOC(=O)CC(C)(C)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376552195 512869031 /nfs/dbraw/zinc/86/90/31/512869031.db2.gz JKMNZBBBHFBCLK-DFNIBXOVSA-N 1 3 365.562 2.599 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N(CC3CC3)CC3CCC3)CC2)CC1 ZINC000376566729 512877915 /nfs/dbraw/zinc/87/79/15/512877915.db2.gz QGJWJDYTVLMVKO-UHFFFAOYSA-N 1 3 362.562 2.767 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374597523 512908616 /nfs/dbraw/zinc/90/86/16/512908616.db2.gz TULGZHXQZLSBAN-SESVDKBCSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374597523 512908621 /nfs/dbraw/zinc/90/86/21/512908621.db2.gz TULGZHXQZLSBAN-SESVDKBCSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000412097577 512959402 /nfs/dbraw/zinc/95/94/02/512959402.db2.gz VFMNEMHRCXJGRP-UBBRYJJRSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000412097577 512959406 /nfs/dbraw/zinc/95/94/06/512959406.db2.gz VFMNEMHRCXJGRP-UBBRYJJRSA-N 1 3 360.542 2.872 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)CC1 ZINC000376740267 512966857 /nfs/dbraw/zinc/96/68/57/512966857.db2.gz SCZYXGFRFBUBGP-OAQYLSRUSA-N 1 3 357.542 2.873 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)[C@@H](C)C1 ZINC000412125170 512970102 /nfs/dbraw/zinc/97/01/02/512970102.db2.gz GOYJDZKYJAKMNJ-JKEDJMADSA-N 1 3 353.551 2.501 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)[C@@H](C)C1 ZINC000412125170 512970105 /nfs/dbraw/zinc/97/01/05/512970105.db2.gz GOYJDZKYJAKMNJ-JKEDJMADSA-N 1 3 353.551 2.501 20 0 FFADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412132190 512972694 /nfs/dbraw/zinc/97/26/94/512972694.db2.gz PRNHROUNXCBWIP-OAQYLSRUSA-N 1 3 373.541 2.855 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000372682563 512995797 /nfs/dbraw/zinc/99/57/97/512995797.db2.gz CIMAIAWWTWMMDA-RTWAWAEBSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000370675405 513046780 /nfs/dbraw/zinc/04/67/80/513046780.db2.gz BCBINLXYIFZAIX-PGRDOPGGSA-N 1 3 357.542 2.740 20 0 FFADHO Cc1ccc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000415199208 513148433 /nfs/dbraw/zinc/14/84/33/513148433.db2.gz DCVDXBHUTMOELA-INIZCTEOSA-N 1 3 350.507 2.773 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000417698488 513169829 /nfs/dbraw/zinc/16/98/29/513169829.db2.gz GIFWTEACDOFRRH-GDAAHCPNSA-N 1 3 358.530 2.885 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433912160 513183251 /nfs/dbraw/zinc/18/32/51/513183251.db2.gz MGOUHARORIHLEM-MJQMVNBJSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433912160 513183254 /nfs/dbraw/zinc/18/32/54/513183254.db2.gz MGOUHARORIHLEM-MJQMVNBJSA-N 1 3 350.551 2.669 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCCC[NH2+]C2CC2)[C@@H]1c1cccs1 ZINC000417741022 513190412 /nfs/dbraw/zinc/19/04/12/513190412.db2.gz SRCZZRGCHTUZNH-WMLDXEAASA-N 1 3 350.532 2.572 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000446138564 513195551 /nfs/dbraw/zinc/19/55/51/513195551.db2.gz LQJRBWRXCOUSKR-JZJXAQOMSA-N 1 3 373.541 2.718 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000433964018 513200629 /nfs/dbraw/zinc/20/06/29/513200629.db2.gz FCBXMTPWPDTVEV-OAQYLSRUSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000433964018 513200633 /nfs/dbraw/zinc/20/06/33/513200633.db2.gz FCBXMTPWPDTVEV-OAQYLSRUSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](CCNC(=O)NC[C@@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000417815474 513218598 /nfs/dbraw/zinc/21/85/98/513218598.db2.gz ORAQMAFOKJNECM-FXAWDEMLSA-N 1 3 354.498 2.896 20 0 FFADHO C[C@@H](CCNC(=O)NC[C@@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417815474 513218601 /nfs/dbraw/zinc/21/86/01/513218601.db2.gz ORAQMAFOKJNECM-FXAWDEMLSA-N 1 3 354.498 2.896 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000417818032 513220531 /nfs/dbraw/zinc/22/05/31/513220531.db2.gz FFVDSVFZMBQFEY-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417823447 513221781 /nfs/dbraw/zinc/22/17/81/513221781.db2.gz KUFQYBZIKPKCKE-UBDVDIHFSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417827233 513223848 /nfs/dbraw/zinc/22/38/48/513223848.db2.gz PIDNPWVIFRGILY-YZGWKJHDSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000417832525 513227889 /nfs/dbraw/zinc/22/78/89/513227889.db2.gz SWBGBHXFMOSZCH-UWVAXJGDSA-N 1 3 358.530 2.666 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000417837163 513228437 /nfs/dbraw/zinc/22/84/37/513228437.db2.gz XMBXSOPPRAHWQP-YSIASYRMSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000417847452 513234464 /nfs/dbraw/zinc/23/44/64/513234464.db2.gz URDVHMICHHQBEX-RNQOJCNYSA-N 1 3 356.514 2.575 20 0 FFADHO CCCN1C[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000421355769 513234525 /nfs/dbraw/zinc/23/45/25/513234525.db2.gz VAPSIAQTYUDLIV-UWHLTILDSA-N 1 3 355.526 2.745 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000446361419 513244212 /nfs/dbraw/zinc/24/42/12/513244212.db2.gz BQTJOAHLJVHMMG-ZOBUZTSGSA-N 1 3 369.431 2.814 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)[C@H]1c1ccccc1 ZINC000417943328 513295423 /nfs/dbraw/zinc/29/54/23/513295423.db2.gz OWBMNLKZKPEQHJ-ZCNNSNEGSA-N 1 3 370.541 2.851 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000417945693 513296592 /nfs/dbraw/zinc/29/65/92/513296592.db2.gz QVWHSQFOOGWXNL-UWHLTILDSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417989024 513319445 /nfs/dbraw/zinc/31/94/45/513319445.db2.gz SLUQLIALCQPVAT-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418028930 513341294 /nfs/dbraw/zinc/34/12/94/513341294.db2.gz HZZMZCVUTUPHBC-TZIWHRDSSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418042673 513350748 /nfs/dbraw/zinc/35/07/48/513350748.db2.gz XSRFSRYDFGAARS-BURNTYAHSA-N 1 3 372.557 2.912 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418111073 513376437 /nfs/dbraw/zinc/37/64/37/513376437.db2.gz XFTHQXSTTWKJAG-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418132029 513383750 /nfs/dbraw/zinc/38/37/50/513383750.db2.gz DKMDRNSVQOWSTI-VDGAXYAQSA-N 1 3 358.530 2.808 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418151970 513393362 /nfs/dbraw/zinc/39/33/62/513393362.db2.gz GIVVRROBFJNWHD-HZPDHXFCSA-N 1 3 368.472 2.569 20 0 FFADHO C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418154304 513394870 /nfs/dbraw/zinc/39/48/70/513394870.db2.gz JSJCWKUVNXXGAT-DZFGPLHGSA-N 1 3 366.509 2.549 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000418159642 513398497 /nfs/dbraw/zinc/39/84/97/513398497.db2.gz ZEVBSOYROAHELX-TZIWHRDSSA-N 1 3 358.530 2.586 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418162039 513399935 /nfs/dbraw/zinc/39/99/35/513399935.db2.gz ULYPFCRULOQYMQ-RBUKOAKNSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C(=O)NCCN1CCC2(CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418178543 513407999 /nfs/dbraw/zinc/40/79/99/513407999.db2.gz WWYAIWHIBCLRFK-DFNIBXOVSA-N 1 3 362.562 2.957 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NCC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000418183320 513409909 /nfs/dbraw/zinc/40/99/09/513409909.db2.gz OGCQFTIKXBKFQL-MRXNPFEDSA-N 1 3 352.910 2.904 20 0 FFADHO C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000418188363 513413515 /nfs/dbraw/zinc/41/35/15/513413515.db2.gz UEJISJQLUSYCJZ-NQIIRXRSSA-N 1 3 368.525 2.891 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)N(CC)CC)cc1 ZINC000418223143 513429257 /nfs/dbraw/zinc/42/92/57/513429257.db2.gz YHIOKEBENCNENV-ACRUOGEOSA-N 1 3 372.557 2.883 20 0 FFADHO C[C@@H](C[NH3+])N(C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415805330 513430648 /nfs/dbraw/zinc/43/06/48/513430648.db2.gz MLSMIQPGLAQSGR-LBPRGKRZSA-N 1 3 354.882 2.624 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000440964264 513447624 /nfs/dbraw/zinc/44/76/24/513447624.db2.gz XOLMSIMQABMDEM-TWMKSMIVSA-N 1 3 350.551 2.667 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000440964264 513447628 /nfs/dbraw/zinc/44/76/28/513447628.db2.gz XOLMSIMQABMDEM-TWMKSMIVSA-N 1 3 350.551 2.667 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418293822 513453340 /nfs/dbraw/zinc/45/33/40/513453340.db2.gz GDBPQABUWAHXMW-UHFFFAOYSA-N 1 3 350.482 2.561 20 0 FFADHO COc1ccc2[nH+]c3c(c(N4CCCN(CCO)CC4)c2c1)CCCC3 ZINC000413124537 513463343 /nfs/dbraw/zinc/46/33/43/513463343.db2.gz PANBEPWVVJTART-UHFFFAOYSA-N 1 3 355.482 2.627 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418340333 513472229 /nfs/dbraw/zinc/47/22/29/513472229.db2.gz GIFHDLLMRFWWBY-CEWLAPEOSA-N 1 3 370.541 2.540 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418353394 513478387 /nfs/dbraw/zinc/47/83/87/513478387.db2.gz CZZDKJAIILPBJN-LJQANCHMSA-N 1 3 364.509 2.807 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415935474 513487026 /nfs/dbraw/zinc/48/70/26/513487026.db2.gz JOIMYTNGMAVPCS-UHFFFAOYSA-N 1 3 374.460 2.759 20 0 FFADHO CN(C(=O)Nc1ccc(OCC[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000415946928 513492055 /nfs/dbraw/zinc/49/20/55/513492055.db2.gz PHTNRQSVYVPZFL-IBGZPJMESA-N 1 3 368.481 2.762 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418415008 513500717 /nfs/dbraw/zinc/50/07/17/513500717.db2.gz SJPGLORMZDJCAT-UXHICEINSA-N 1 3 360.546 2.710 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418437240 513510462 /nfs/dbraw/zinc/51/04/62/513510462.db2.gz HQZQZUDEPAESPS-QGZVFWFLSA-N 1 3 354.926 2.787 20 0 FFADHO CCC[NH2+]CCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418469601 513523941 /nfs/dbraw/zinc/52/39/41/513523941.db2.gz IHWQGAUZBXJVNR-OAQYLSRUSA-N 1 3 358.530 2.684 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000418490851 513531173 /nfs/dbraw/zinc/53/11/73/513531173.db2.gz NJORXYAUNMZCFJ-QRWLVFNGSA-N 1 3 370.497 2.817 20 0 FFADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418497145 513532909 /nfs/dbraw/zinc/53/29/09/513532909.db2.gz GZGHFTQDAGRGPU-RBUKOAKNSA-N 1 3 354.498 2.917 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418496333 513533071 /nfs/dbraw/zinc/53/30/71/513533071.db2.gz DVCZEAHZMNHSSP-HXUWFJFHSA-N 1 3 354.498 2.823 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416011102 513537908 /nfs/dbraw/zinc/53/79/08/513537908.db2.gz RAXKAAOFLCQRLR-BBRMVZONSA-N 1 3 372.435 2.791 20 0 FFADHO CCCN(C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418518235 513540893 /nfs/dbraw/zinc/54/08/93/513540893.db2.gz KYUZMJKJZGBUOZ-LJQANCHMSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)CCCN1C ZINC000435268537 513546253 /nfs/dbraw/zinc/54/62/53/513546253.db2.gz NCHGKMUGBKPMBC-YZGWKJHDSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)CCCN1C ZINC000435268537 513546259 /nfs/dbraw/zinc/54/62/59/513546259.db2.gz NCHGKMUGBKPMBC-YZGWKJHDSA-N 1 3 373.545 2.560 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418558294 513557657 /nfs/dbraw/zinc/55/76/57/513557657.db2.gz XHJHMDSIJCPBFD-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO CCSc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000435375077 513569146 /nfs/dbraw/zinc/56/91/46/513569146.db2.gz ZIENSQVOSQYMCN-IEBWSBKVSA-N 1 3 361.555 2.879 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418643079 513587579 /nfs/dbraw/zinc/58/75/79/513587579.db2.gz AZPFLDOCCCDPBK-UYAOXDASSA-N 1 3 358.530 2.909 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416134718 513590257 /nfs/dbraw/zinc/59/02/57/513590257.db2.gz PENFDUJYJZEAOF-RTWAWAEBSA-N 1 3 353.510 2.969 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418702826 513617370 /nfs/dbraw/zinc/61/73/70/513617370.db2.gz QNWNEEGGONGQNQ-YZGWKJHDSA-N 1 3 358.530 2.667 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416171763 513620103 /nfs/dbraw/zinc/62/01/03/513620103.db2.gz RXORLBZHDFRLFG-WOJBJXKFSA-N 1 3 361.530 2.639 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418711391 513620159 /nfs/dbraw/zinc/62/01/59/513620159.db2.gz FNWTVWSFBKNRMO-YJBOKZPZSA-N 1 3 366.937 2.931 20 0 FFADHO CC[C@H](C(=O)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1)N(CC)CC ZINC000435602593 513632858 /nfs/dbraw/zinc/63/28/58/513632858.db2.gz DGUSHJRUUQNSQF-HZPDHXFCSA-N 1 3 352.548 2.510 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447984991 513647106 /nfs/dbraw/zinc/64/71/06/513647106.db2.gz CJFLSMVXNBFHPI-MSOLQXFVSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447984991 513647112 /nfs/dbraw/zinc/64/71/12/513647112.db2.gz CJFLSMVXNBFHPI-MSOLQXFVSA-N 1 3 352.567 2.918 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422234035 513650877 /nfs/dbraw/zinc/65/08/77/513650877.db2.gz CZVKCCYUVQSAHT-UHFFFAOYSA-N 1 3 364.509 2.772 20 0 FFADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418779183 513653642 /nfs/dbraw/zinc/65/36/42/513653642.db2.gz AZIKTAVHVYORDU-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418780710 513655081 /nfs/dbraw/zinc/65/50/81/513655081.db2.gz YSAHNZDHQHTMRJ-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CN(C(=O)CCN2CCc3ccccc3C2)CC[N@@H+](C2CCC2)C1 ZINC000416238742 513666747 /nfs/dbraw/zinc/66/67/47/513666747.db2.gz IWXUDDFCWVELQG-SFHVURJKSA-N 1 3 355.526 2.768 20 0 FFADHO C[C@@H]1CN(C(=O)CCN2CCc3ccccc3C2)CC[N@H+](C2CCC2)C1 ZINC000416238742 513666752 /nfs/dbraw/zinc/66/67/52/513666752.db2.gz IWXUDDFCWVELQG-SFHVURJKSA-N 1 3 355.526 2.768 20 0 FFADHO COc1cc(NC(=O)CCN[C@@](C)(C[NH3+])C(C)C)c(OC)cc1Cl ZINC000430550795 513684757 /nfs/dbraw/zinc/68/47/57/513684757.db2.gz KYEUFLBOZXZFOJ-KRWDZBQOSA-N 1 3 357.882 2.649 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430681286 513721240 /nfs/dbraw/zinc/72/12/40/513721240.db2.gz QFIPRTQYJNBXHH-AHRSYUTCSA-N 1 3 357.498 2.503 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430681288 513721684 /nfs/dbraw/zinc/72/16/84/513721684.db2.gz QFIPRTQYJNBXHH-DBVUQKKJSA-N 1 3 357.498 2.503 20 0 FFADHO COc1cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000416342905 513723298 /nfs/dbraw/zinc/72/32/98/513723298.db2.gz QNFLKASITJUJOA-XHSDSOJGSA-N 1 3 363.502 2.835 20 0 FFADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430698186 513726198 /nfs/dbraw/zinc/72/61/98/513726198.db2.gz COFKYXBMHSEXQR-GIVPXCGWSA-N 1 3 371.525 2.698 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000448468819 513763831 /nfs/dbraw/zinc/76/38/31/513763831.db2.gz WGQQHADIRMDXCZ-RTWAWAEBSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000448468819 513763838 /nfs/dbraw/zinc/76/38/38/513763838.db2.gz WGQQHADIRMDXCZ-RTWAWAEBSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]([NH3+])C1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000430928663 513783555 /nfs/dbraw/zinc/78/35/55/513783555.db2.gz UTLJZVSWTZLJSC-SNVBAGLBSA-N 1 3 369.391 2.579 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431032264 513810372 /nfs/dbraw/zinc/81/03/72/513810372.db2.gz ILXKJFRIFRMAHT-SJORKVTESA-N 1 3 356.514 2.840 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442964448 513829524 /nfs/dbraw/zinc/82/95/24/513829524.db2.gz IAXOLVNUDOXYPI-SYYKKAFVSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442964448 513829535 /nfs/dbraw/zinc/82/95/35/513829535.db2.gz IAXOLVNUDOXYPI-SYYKKAFVSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000443063067 513859183 /nfs/dbraw/zinc/85/91/83/513859183.db2.gz VNGBEIVBWOUCKE-UONOGXRCSA-N 1 3 373.419 2.823 20 0 FFADHO CCOc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OCC ZINC000422755512 513922173 /nfs/dbraw/zinc/92/21/73/513922173.db2.gz IDYFCJVBISJSAB-GBESFXJTSA-N 1 3 362.514 2.773 20 0 FFADHO CCOc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OCC ZINC000422755514 513922350 /nfs/dbraw/zinc/92/23/50/513922350.db2.gz IDYFCJVBISJSAB-IPMKNSEASA-N 1 3 362.514 2.773 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422779866 513930781 /nfs/dbraw/zinc/93/07/81/513930781.db2.gz JLDPPNFCKJUBSU-WDSOQIARSA-N 1 3 351.922 2.820 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422779866 513930783 /nfs/dbraw/zinc/93/07/83/513930783.db2.gz JLDPPNFCKJUBSU-WDSOQIARSA-N 1 3 351.922 2.820 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787992 513931429 /nfs/dbraw/zinc/93/14/29/513931429.db2.gz MUWFULOYNRUKBJ-IMJJTQAJSA-N 1 3 360.420 2.986 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422789635 513933442 /nfs/dbraw/zinc/93/34/42/513933442.db2.gz OQPNPBQVRVHITD-VNQPRFMTSA-N 1 3 360.420 2.843 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422789634 513933564 /nfs/dbraw/zinc/93/35/64/513933564.db2.gz OQPNPBQVRVHITD-KBMXLJTQSA-N 1 3 360.420 2.843 20 0 FFADHO [NH3+][C@H]1CCC[C@H]1NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000422826030 513944108 /nfs/dbraw/zinc/94/41/08/513944108.db2.gz BKQZYAZXANPBIR-ZWKOTPCHSA-N 1 3 370.463 2.687 20 0 FFADHO N[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000422826030 513944116 /nfs/dbraw/zinc/94/41/16/513944116.db2.gz BKQZYAZXANPBIR-ZWKOTPCHSA-N 1 3 370.463 2.687 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@H](Cc3ccccc3)[C@H](C)N)CC2)nc(C)n1 ZINC000422842054 513949194 /nfs/dbraw/zinc/94/91/94/513949194.db2.gz XKTNONWFDZJFFG-OXJNMPFZSA-N 1 3 353.514 2.610 20 0 FFADHO Cc1cc(N2CCC(N[C@H](Cc3ccccc3)[C@H](C)[NH3+])CC2)nc(C)n1 ZINC000422842054 513949200 /nfs/dbraw/zinc/94/92/00/513949200.db2.gz XKTNONWFDZJFFG-OXJNMPFZSA-N 1 3 353.514 2.610 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422856067 513952903 /nfs/dbraw/zinc/95/29/03/513952903.db2.gz FNEPBFCVXQQINZ-YHYVQYDKSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422856067 513952908 /nfs/dbraw/zinc/95/29/08/513952908.db2.gz FNEPBFCVXQQINZ-YHYVQYDKSA-N 1 3 357.542 2.918 20 0 FFADHO CN(CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)(F)F ZINC000422868813 513958423 /nfs/dbraw/zinc/95/84/23/513958423.db2.gz WEGADEQNZDNIPU-NVXWUHKLSA-N 1 3 357.420 2.716 20 0 FFADHO CC[C@@H](NC1CCC(C(=O)N2CCSCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422876765 513960121 /nfs/dbraw/zinc/96/01/21/513960121.db2.gz GNFHKYMCTMDJEL-OPQOLIRYSA-N 1 3 353.576 2.631 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416778389 513962370 /nfs/dbraw/zinc/96/23/70/513962370.db2.gz AJKGWDUPJLKBHG-NHCUHLMSSA-N 1 3 370.541 2.997 20 0 FFADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1OCCC(C)C ZINC000422882616 513963136 /nfs/dbraw/zinc/96/31/36/513963136.db2.gz PGJUMCYQHDCRIQ-CGTJXYLNSA-N 1 3 350.503 2.962 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000416789554 513968991 /nfs/dbraw/zinc/96/89/91/513968991.db2.gz DMQZNCPFNHUEMX-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422925303 513978458 /nfs/dbraw/zinc/97/84/58/513978458.db2.gz AVVCYIFLVLUBRA-ACESQOTJSA-N 1 3 371.569 2.816 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCCC[NH2+]C2CC2)c2cccs2)CC1 ZINC000416828268 513986709 /nfs/dbraw/zinc/98/67/09/513986709.db2.gz DNDXVOSWUODPAL-QGZVFWFLSA-N 1 3 364.559 2.962 20 0 FFADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416839230 513993435 /nfs/dbraw/zinc/99/34/35/513993435.db2.gz JVDLTCUJIWPJHP-JKSUJKDBSA-N 1 3 352.548 2.676 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000416839919 513993923 /nfs/dbraw/zinc/99/39/23/513993923.db2.gz KPUQPRCYPNJKQQ-MTQWCTHYSA-N 1 3 358.530 2.838 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416841009 513994940 /nfs/dbraw/zinc/99/49/40/513994940.db2.gz LNPOIDGZGSKGFW-JKSUJKDBSA-N 1 3 352.548 2.900 20 0 FFADHO CCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416841286 513995256 /nfs/dbraw/zinc/99/52/56/513995256.db2.gz LXKOJNOXJXPHPP-INIZCTEOSA-N 1 3 352.548 2.820 20 0 FFADHO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)ncn1 ZINC000422985635 513998799 /nfs/dbraw/zinc/99/87/99/513998799.db2.gz FPAGJGWVACXMAP-MAUKXSAKSA-N 1 3 354.502 2.521 20 0 FFADHO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179854 514000331 /nfs/dbraw/zinc/00/03/31/514000331.db2.gz APFOKNCSOWXMOM-VQTJNVASSA-N 1 3 351.579 2.978 20 0 FFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)[C@H](C)C2 ZINC000414181703 514000581 /nfs/dbraw/zinc/00/05/81/514000581.db2.gz CHJCRAVEGNNMAE-NQIIRXRSSA-N 1 3 357.542 2.615 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422994949 514003285 /nfs/dbraw/zinc/00/32/85/514003285.db2.gz WPVRUAQMIDBGOB-KMFMINBZSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422994949 514003289 /nfs/dbraw/zinc/00/32/89/514003289.db2.gz WPVRUAQMIDBGOB-KMFMINBZSA-N 1 3 360.420 2.714 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416853332 514004530 /nfs/dbraw/zinc/00/45/30/514004530.db2.gz UABSMSSRMDHHIA-DLBZAZTESA-N 1 3 364.559 2.915 20 0 FFADHO CCOc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414197552 514008077 /nfs/dbraw/zinc/00/80/77/514008077.db2.gz PKNSYSYOJICWMY-GOSISDBHSA-N 1 3 361.530 2.533 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423013305 514008390 /nfs/dbraw/zinc/00/83/90/514008390.db2.gz MNASCJOGYZPNSQ-LLVKDONJSA-N 1 3 354.376 2.992 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416859958 514009402 /nfs/dbraw/zinc/00/94/02/514009402.db2.gz VCHUHCPSBRKWIG-IEBWSBKVSA-N 1 3 362.518 2.649 20 0 FFADHO CN(CCCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000416866037 514011479 /nfs/dbraw/zinc/01/14/79/514011479.db2.gz ADMNVQCEKGSQBP-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)(N2CCOCC2)CC1 ZINC000414207666 514012656 /nfs/dbraw/zinc/01/26/56/514012656.db2.gz ZSMFJDITHIIDIP-LEWJYISDSA-N 1 3 371.569 2.955 20 0 FFADHO CN1CCC(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)(N2CCOCC2)CC1 ZINC000414207668 514012666 /nfs/dbraw/zinc/01/26/66/514012666.db2.gz ZSMFJDITHIIDIP-RTWAWAEBSA-N 1 3 371.569 2.955 20 0 FFADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000423037227 514013950 /nfs/dbraw/zinc/01/39/50/514013950.db2.gz VVKNAVUWPSVADM-RCCFBDPRSA-N 1 3 374.460 2.555 20 0 FFADHO Cc1cc(N2CC[C@H](N[C@H](C)CCC[NH3+])C2=O)ccc1Br ZINC000423047928 514017543 /nfs/dbraw/zinc/01/75/43/514017543.db2.gz HSZUTXFTJFSHDJ-DOMZBBRYSA-N 1 3 354.292 2.580 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423060207 514022879 /nfs/dbraw/zinc/02/28/79/514022879.db2.gz HPXCSIKVVMBIHY-RZLSGREXSA-N 1 3 357.420 2.626 20 0 FFADHO CN(Cc1ccccc1)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423063940 514024553 /nfs/dbraw/zinc/02/45/53/514024553.db2.gz QBZIHGGNWUIRRN-CIAFKFPVSA-N 1 3 357.542 2.644 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423073574 514028682 /nfs/dbraw/zinc/02/86/82/514028682.db2.gz JEDSGJZIUWFGST-RISCZKNCSA-N 1 3 367.415 2.768 20 0 FFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423073778 514029169 /nfs/dbraw/zinc/02/91/69/514029169.db2.gz JSGXTJCRJDWMKS-LBTBCDHLSA-N 1 3 356.432 2.765 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000423076687 514031290 /nfs/dbraw/zinc/03/12/90/514031290.db2.gz RRSHSOLWPIHDKG-FRFSOERESA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423076687 514031300 /nfs/dbraw/zinc/03/13/00/514031300.db2.gz RRSHSOLWPIHDKG-FRFSOERESA-N 1 3 355.320 2.578 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423112742 514048100 /nfs/dbraw/zinc/04/81/00/514048100.db2.gz KGVXFMWHLSIHNG-CEXWTWQISA-N 1 3 359.514 2.567 20 0 FFADHO CSc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423143982 514058446 /nfs/dbraw/zinc/05/84/46/514058446.db2.gz FVMGQZGAIDPEOT-WCIQWLHISA-N 1 3 363.571 2.758 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000423144293 514060240 /nfs/dbraw/zinc/06/02/40/514060240.db2.gz YOZJJZZRUYIRIO-CDXJDZJCSA-N 1 3 364.530 2.898 20 0 FFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000449082772 514065744 /nfs/dbraw/zinc/06/57/44/514065744.db2.gz PURHSVSRYVHJBI-FGTMMUONSA-N 1 3 362.514 2.832 20 0 FFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000449082772 514065748 /nfs/dbraw/zinc/06/57/48/514065748.db2.gz PURHSVSRYVHJBI-FGTMMUONSA-N 1 3 362.514 2.832 20 0 FFADHO Brc1ccc2c(c1)OCCC[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423181298 514072667 /nfs/dbraw/zinc/07/26/67/514072667.db2.gz OSBDTJVUYQBORP-MRXNPFEDSA-N 1 3 368.319 2.548 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000420302282 514080045 /nfs/dbraw/zinc/08/00/45/514080045.db2.gz JLYHHHXNXXHEHU-YLJYHZDGSA-N 1 3 373.541 2.708 20 0 FFADHO COC(=O)COC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000449129469 514083323 /nfs/dbraw/zinc/08/33/23/514083323.db2.gz VCGFPDMDFIOBBT-OAHLLOKOSA-N 1 3 368.905 2.720 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000420309857 514083861 /nfs/dbraw/zinc/08/38/61/514083861.db2.gz UFCQSDMKNOVOPF-GHTZIAJQSA-N 1 3 362.514 2.788 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000420309857 514083866 /nfs/dbraw/zinc/08/38/66/514083866.db2.gz UFCQSDMKNOVOPF-GHTZIAJQSA-N 1 3 362.514 2.788 20 0 FFADHO CCCN(C(=O)NC1CCN(Cc2ccccc2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000416978064 514086374 /nfs/dbraw/zinc/08/63/74/514086374.db2.gz QRDIKKXVFJAEAB-HXUWFJFHSA-N 1 3 358.530 2.743 20 0 FFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(N4CCNCC4)cn3)CC2)C1 ZINC000423233348 514086737 /nfs/dbraw/zinc/08/67/37/514086737.db2.gz ODMSXGZTZXVMRW-MJGOQNOKSA-N 1 3 357.546 2.946 20 0 FFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(N4CCNCC4)cn3)CC2)C1 ZINC000423233347 514087470 /nfs/dbraw/zinc/08/74/70/514087470.db2.gz ODMSXGZTZXVMRW-IEBWSBKVSA-N 1 3 357.546 2.946 20 0 FFADHO CCn1nnc(C)c1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000449189895 514105084 /nfs/dbraw/zinc/10/50/84/514105084.db2.gz VNZGQYRSTFMKGE-UHFFFAOYSA-N 1 3 371.529 2.767 20 0 FFADHO Cc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420348087 514105080 /nfs/dbraw/zinc/10/50/80/514105080.db2.gz JMNRRYMJLARBTB-IBGZPJMESA-N 1 3 371.916 2.585 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2NCCCC2(C)C)cc1 ZINC000423337277 514112226 /nfs/dbraw/zinc/11/22/26/514112226.db2.gz VDZFKQDXBWGNMX-IBGZPJMESA-N 1 3 361.530 2.802 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000414433905 514113507 /nfs/dbraw/zinc/11/35/07/514113507.db2.gz CLFMLQAXBKQIDU-UHFFFAOYSA-N 1 3 373.520 2.778 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@H](N)c1ccccc1)Cc1ccccc1 ZINC000417013530 514119218 /nfs/dbraw/zinc/11/92/18/514119218.db2.gz YQVYSHQJUIETGB-SFTDATJTSA-N 1 3 368.525 2.939 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000449225746 514122459 /nfs/dbraw/zinc/12/24/59/514122459.db2.gz OWTUGOGGRQCXTD-HXUWFJFHSA-N 1 3 371.525 2.704 20 0 FFADHO CCc1nc2c(s1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423391429 514126496 /nfs/dbraw/zinc/12/64/96/514126496.db2.gz PKQFFXYKRLBGJU-WCQYABFASA-N 1 3 362.465 2.509 20 0 FFADHO CCc1nc(C)c([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423396054 514128493 /nfs/dbraw/zinc/12/84/93/514128493.db2.gz SYLMOBZYQUJQTP-JQWIXIFHSA-N 1 3 350.454 2.501 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000417046736 514140792 /nfs/dbraw/zinc/14/07/92/514140792.db2.gz PLJDIKDSLTVFLH-RMVXJAJNSA-N 1 3 372.557 2.881 20 0 FFADHO COC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000423482429 514149474 /nfs/dbraw/zinc/14/94/74/514149474.db2.gz XPKROQCFNJXZAZ-DFQSSKMNSA-N 1 3 350.478 2.550 20 0 FFADHO COC[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000423482429 514149479 /nfs/dbraw/zinc/14/94/79/514149479.db2.gz XPKROQCFNJXZAZ-DFQSSKMNSA-N 1 3 350.478 2.550 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449313173 514160482 /nfs/dbraw/zinc/16/04/82/514160482.db2.gz VFIFXFCFMMQLPM-QHCPKHFHSA-N 1 3 363.505 2.699 20 0 FFADHO CCCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000417089520 514162877 /nfs/dbraw/zinc/16/28/77/514162877.db2.gz PVFGMODFZANSFP-LJQANCHMSA-N 1 3 358.530 2.607 20 0 FFADHO COc1ccc(-n2cc(CNCC3(SC)CC[NH+](C)CC3)cn2)cc1 ZINC000449341385 514173602 /nfs/dbraw/zinc/17/36/02/514173602.db2.gz YXCHXMDXPDUMQV-UHFFFAOYSA-N 1 3 360.527 2.798 20 0 FFADHO C[C@@H](NC1(CNC(=O)C[C@@H]2CCC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000427293671 514173826 /nfs/dbraw/zinc/17/38/26/514173826.db2.gz DMCWIJPPVXAYDL-RTBURBONSA-N 1 3 373.541 2.782 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCN2CCCO)CC1 ZINC000449389801 514191143 /nfs/dbraw/zinc/19/11/43/514191143.db2.gz UCNJXFNOEKJSKT-DENIHFKCSA-N 1 3 359.558 2.518 20 0 FFADHO CC1(C)CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000423704331 514206499 /nfs/dbraw/zinc/20/64/99/514206499.db2.gz DYTMPZMYGBTVFH-SFHVURJKSA-N 1 3 369.431 2.651 20 0 FFADHO CC1(C)CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000423704331 514206508 /nfs/dbraw/zinc/20/65/08/514206508.db2.gz DYTMPZMYGBTVFH-SFHVURJKSA-N 1 3 369.431 2.651 20 0 FFADHO CC1CCN([C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000417218325 514238991 /nfs/dbraw/zinc/23/89/91/514238991.db2.gz SQTLULANVFOSKL-LEWJYISDSA-N 1 3 370.541 2.996 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2)CC1 ZINC000417219956 514240343 /nfs/dbraw/zinc/24/03/43/514240343.db2.gz XICWIEAYCFYQBP-UNMCSNQZSA-N 1 3 370.541 2.855 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC(C[NH3+])CC2)c2ccccc2)CC1 ZINC000417221024 514240951 /nfs/dbraw/zinc/24/09/51/514240951.db2.gz ZOQXUIDGDBORCA-FQEVSTJZSA-N 1 3 358.530 2.840 20 0 FFADHO CN(C)CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccn1 ZINC000437831864 514245034 /nfs/dbraw/zinc/24/50/34/514245034.db2.gz DHWDMLXMLNRWOK-LJQANCHMSA-N 1 3 374.529 2.549 20 0 FFADHO CN(C)CCOc1cc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC000437831864 514245036 /nfs/dbraw/zinc/24/50/36/514245036.db2.gz DHWDMLXMLNRWOK-LJQANCHMSA-N 1 3 374.529 2.549 20 0 FFADHO C[C@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000432673049 514257181 /nfs/dbraw/zinc/25/71/81/514257181.db2.gz ULVAECZUKBWJCD-QGZVFWFLSA-N 1 3 374.529 2.965 20 0 FFADHO C[C@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000432673049 514257187 /nfs/dbraw/zinc/25/71/87/514257187.db2.gz ULVAECZUKBWJCD-QGZVFWFLSA-N 1 3 374.529 2.965 20 0 FFADHO Cc1cccc2nc(C3CC[NH+](C[C@H]4CCCN(C(=O)CN)C4)CC3)oc21 ZINC000414731278 514262022 /nfs/dbraw/zinc/26/20/22/514262022.db2.gz AJINREORUSLSBX-MRXNPFEDSA-N 1 3 370.497 2.513 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC1CC[NH2+]CC1 ZINC000414777685 514286700 /nfs/dbraw/zinc/28/67/00/514286700.db2.gz HEXGCBREZWRWBU-LLVKDONJSA-N 1 3 367.515 2.600 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C1CCNCC1 ZINC000414777685 514286711 /nfs/dbraw/zinc/28/67/11/514286711.db2.gz HEXGCBREZWRWBU-LLVKDONJSA-N 1 3 367.515 2.600 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000417352657 514306258 /nfs/dbraw/zinc/30/62/58/514306258.db2.gz GPVPUTIJNCCGSZ-PMACEKPBSA-N 1 3 358.530 2.915 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414814517 514306622 /nfs/dbraw/zinc/30/66/22/514306622.db2.gz NYJBAFSONGMGSE-CABCVRRESA-N 1 3 369.465 3.000 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000417354513 514307236 /nfs/dbraw/zinc/30/72/36/514307236.db2.gz MASPKXGBPMOBHO-CTNGQTDRSA-N 1 3 356.514 2.527 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417361134 514312405 /nfs/dbraw/zinc/31/24/05/514312405.db2.gz INJWZKBODQSGDN-IAGOWNOFSA-N 1 3 364.559 2.601 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414842116 514320255 /nfs/dbraw/zinc/32/02/55/514320255.db2.gz NTFYGXLEKOJLOG-RDTXWAMCSA-N 1 3 363.502 2.918 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414857875 514328249 /nfs/dbraw/zinc/32/82/49/514328249.db2.gz QKGZGQBEKMHPFV-HLLBOEOZSA-N 1 3 372.513 2.730 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420843352 514331948 /nfs/dbraw/zinc/33/19/48/514331948.db2.gz WOGACBMDIKCBKH-CMTQZCSUSA-N 1 3 358.530 2.679 20 0 FFADHO CC(=O)c1ccc(C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000424017041 514342494 /nfs/dbraw/zinc/34/24/94/514342494.db2.gz FRCLONCPBQCPOS-UHFFFAOYSA-N 1 3 371.506 2.674 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2cccc(C[N@@H+]3C[C@H](C)C[C@H](CO)C3)c2)C1 ZINC000420947511 514394753 /nfs/dbraw/zinc/39/47/53/514394753.db2.gz TZHSCOLDWMSXPZ-UBBRYJJRSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2cccc(C[N@H+]3C[C@H](C)C[C@H](CO)C3)c2)C1 ZINC000420947511 514394757 /nfs/dbraw/zinc/39/47/57/514394757.db2.gz TZHSCOLDWMSXPZ-UBBRYJJRSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N(C)Cc1ccccc1 ZINC000417575333 514416193 /nfs/dbraw/zinc/41/61/93/514416193.db2.gz FOTLIPWCICAVFO-FXAWDEMLSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCCC[NH2+]C1CC1 ZINC000415065772 514425395 /nfs/dbraw/zinc/42/53/95/514425395.db2.gz HPAGTWYIDLEYND-LBPRGKRZSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCNC1CC1 ZINC000415065772 514425399 /nfs/dbraw/zinc/42/53/99/514425399.db2.gz HPAGTWYIDLEYND-LBPRGKRZSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417592623 514426935 /nfs/dbraw/zinc/42/69/35/514426935.db2.gz YPGVOFHEIBUGGQ-QGZVFWFLSA-N 1 3 368.566 2.617 20 0 FFADHO COCCCOc1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415101333 514444392 /nfs/dbraw/zinc/44/43/92/514444392.db2.gz BCRHGUHMJAMXAU-RTWAWAEBSA-N 1 3 362.514 2.820 20 0 FFADHO Cc1cc(C)c(CCNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424283201 514445505 /nfs/dbraw/zinc/44/55/05/514445505.db2.gz BBERMPBPQJRHBZ-LJQANCHMSA-N 1 3 357.542 2.735 20 0 FFADHO COc1ccc([C@@H](NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)C(C)C)cc1 ZINC000424291397 514448862 /nfs/dbraw/zinc/44/88/62/514448862.db2.gz NTQRNYGRSJNFKA-UTKZUKDTSA-N 1 3 373.541 2.973 20 0 FFADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(OCC(F)(F)F)cc3)C2)nn1 ZINC000415121981 514452656 /nfs/dbraw/zinc/45/26/56/514452656.db2.gz HWZMEEGVUDCMRH-OAHLLOKOSA-N 1 3 369.391 2.515 20 0 FFADHO O=C1N[C@H]2CN(Cc3ccc4ccccc4c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140372 514465339 /nfs/dbraw/zinc/46/53/39/514465339.db2.gz NCSOVHMJZALSIP-SFTDATJTSA-N 1 3 364.493 2.560 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H](C)O1 ZINC000433376753 514477125 /nfs/dbraw/zinc/47/71/25/514477125.db2.gz KNLPYXGVABWVEU-NSHGMRRFSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H](C)O1 ZINC000433376753 514477127 /nfs/dbraw/zinc/47/71/27/514477127.db2.gz KNLPYXGVABWVEU-NSHGMRRFSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@@H+]1C ZINC000466054813 514551636 /nfs/dbraw/zinc/55/16/36/514551636.db2.gz XUTIJXUHFDGZJR-YOEHRIQHSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@H+]1C ZINC000466054813 514551642 /nfs/dbraw/zinc/55/16/42/514551642.db2.gz XUTIJXUHFDGZJR-YOEHRIQHSA-N 1 3 368.472 2.521 20 0 FFADHO COC1([C@H](C)[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCOCC1 ZINC000453220090 514572747 /nfs/dbraw/zinc/57/27/47/514572747.db2.gz WTUFQUSPCDMDPK-KRWDZBQOSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470723537 514585620 /nfs/dbraw/zinc/58/56/20/514585620.db2.gz PWWGPHUVPWNCNW-SVFBPWRDSA-N 1 3 370.541 2.949 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC34CCOCC4)CC2)ccn1 ZINC000502242389 514594317 /nfs/dbraw/zinc/59/43/17/514594317.db2.gz RACOOIOFPRXIBZ-HXUWFJFHSA-N 1 3 358.530 2.533 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000475269215 514596203 /nfs/dbraw/zinc/59/62/03/514596203.db2.gz MSYIARVQZZIACN-IEBWSBKVSA-N 1 3 360.546 2.879 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453375142 514615076 /nfs/dbraw/zinc/61/50/76/514615076.db2.gz ZVJYKTRIMWXYLB-JFCAZQBUSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453375142 514615078 /nfs/dbraw/zinc/61/50/78/514615078.db2.gz ZVJYKTRIMWXYLB-JFCAZQBUSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453375142 514615080 /nfs/dbraw/zinc/61/50/80/514615080.db2.gz ZVJYKTRIMWXYLB-JFCAZQBUSA-N 1 3 369.553 2.740 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C(C)C)N(C)C)cc1 ZINC000458192587 514616677 /nfs/dbraw/zinc/61/66/77/514616677.db2.gz FAERKSOXZNZJPD-QGZVFWFLSA-N 1 3 352.548 2.651 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000458192587 514616680 /nfs/dbraw/zinc/61/66/80/514616680.db2.gz FAERKSOXZNZJPD-QGZVFWFLSA-N 1 3 352.548 2.651 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000453412120 514623362 /nfs/dbraw/zinc/62/33/62/514623362.db2.gz XSMPMLYCWNSAED-XKGZKEIXSA-N 1 3 372.513 2.931 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453419610 514627560 /nfs/dbraw/zinc/62/75/60/514627560.db2.gz DBWKOCUEUQQPQC-BVSLBCMMSA-N 1 3 362.558 2.933 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453419610 514627563 /nfs/dbraw/zinc/62/75/63/514627563.db2.gz DBWKOCUEUQQPQC-BVSLBCMMSA-N 1 3 362.558 2.933 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000466440919 514647117 /nfs/dbraw/zinc/64/71/17/514647117.db2.gz KHWQEOQJTIKJLK-LAUBAEHRSA-N 1 3 370.541 2.954 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000497835999 514653230 /nfs/dbraw/zinc/65/32/30/514653230.db2.gz LVMYOKZZQBMLKO-IEBWSBKVSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000497835999 514653236 /nfs/dbraw/zinc/65/32/36/514653236.db2.gz LVMYOKZZQBMLKO-IEBWSBKVSA-N 1 3 362.493 2.745 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCCN1Cc1ccccc1 ZINC000488968624 514655320 /nfs/dbraw/zinc/65/53/20/514655320.db2.gz ILIKEJUBZFWFPQ-RZUBCFFCSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCN1Cc1ccccc1 ZINC000488968624 514655330 /nfs/dbraw/zinc/65/53/30/514655330.db2.gz ILIKEJUBZFWFPQ-RZUBCFFCSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CN1Cc1ccccc1 ZINC000466501852 514665574 /nfs/dbraw/zinc/66/55/74/514665574.db2.gz GJWDPNCIUYOWKC-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CN1Cc1ccccc1 ZINC000466501852 514665582 /nfs/dbraw/zinc/66/55/82/514665582.db2.gz GJWDPNCIUYOWKC-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CN1Cc1ccccc1 ZINC000466501853 514666573 /nfs/dbraw/zinc/66/65/73/514666573.db2.gz GJWDPNCIUYOWKC-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CN1Cc1ccccc1 ZINC000466501853 514666582 /nfs/dbraw/zinc/66/65/82/514666582.db2.gz GJWDPNCIUYOWKC-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479693365 514690845 /nfs/dbraw/zinc/69/08/45/514690845.db2.gz OHQKDRCWEIUWRA-QGZVFWFLSA-N 1 3 369.513 2.805 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000508163950 514692477 /nfs/dbraw/zinc/69/24/77/514692477.db2.gz PRBAQWPPQNHNEA-IEBWSBKVSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000479790486 514724624 /nfs/dbraw/zinc/72/46/24/514724624.db2.gz VYZMAAQVKUZXMY-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000489251246 514771102 /nfs/dbraw/zinc/77/11/02/514771102.db2.gz KJOJCMDAIACDNX-SVFBPWRDSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)[NH+](CCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)C(C)C ZINC000489262992 514773972 /nfs/dbraw/zinc/77/39/72/514773972.db2.gz VSHZAHZAHIECHK-IPMKNSEASA-N 1 3 352.567 2.867 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489293575 514786437 /nfs/dbraw/zinc/78/64/37/514786437.db2.gz NLGBBZSCJDIBAM-BTHPGYMESA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000498194363 514796509 /nfs/dbraw/zinc/79/65/09/514796509.db2.gz DVUDEXMNUPBTNR-CPUCHLNUSA-N 1 3 353.457 2.763 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458452277 514807723 /nfs/dbraw/zinc/80/77/23/514807723.db2.gz XQSZJHBJOAFYEV-SJLPKXTDSA-N 1 3 364.559 2.795 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458452277 514807731 /nfs/dbraw/zinc/80/77/31/514807731.db2.gz XQSZJHBJOAFYEV-SJLPKXTDSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489366737 514816806 /nfs/dbraw/zinc/81/68/06/514816806.db2.gz KLWOIHRLPGKCNW-IEBWSBKVSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489366737 514816820 /nfs/dbraw/zinc/81/68/20/514816820.db2.gz KLWOIHRLPGKCNW-IEBWSBKVSA-N 1 3 362.562 2.767 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000502907488 514838654 /nfs/dbraw/zinc/83/86/54/514838654.db2.gz ZKTKLWXIISQJCQ-HZPDHXFCSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000502907488 514838660 /nfs/dbraw/zinc/83/86/60/514838660.db2.gz ZKTKLWXIISQJCQ-HZPDHXFCSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502907488 514838667 /nfs/dbraw/zinc/83/86/67/514838667.db2.gz ZKTKLWXIISQJCQ-HZPDHXFCSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000502907488 514838675 /nfs/dbraw/zinc/83/86/75/514838675.db2.gz ZKTKLWXIISQJCQ-HZPDHXFCSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000484972464 514858641 /nfs/dbraw/zinc/85/86/41/514858641.db2.gz OMYIOPBQBYPPJQ-XLIONFOSSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)C1 ZINC000489474466 514859602 /nfs/dbraw/zinc/85/96/02/514859602.db2.gz KQZMAVQSELCLGO-ZWOKBUDYSA-N 1 3 362.562 2.765 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000458528103 514873063 /nfs/dbraw/zinc/87/30/63/514873063.db2.gz WBPJCGMIMWJYKV-LJQANCHMSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000508759332 514887370 /nfs/dbraw/zinc/88/73/70/514887370.db2.gz QGTFVWFGCZFXFT-KZNAEPCWSA-N 1 3 361.530 2.723 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC[N@@H+]1C ZINC000489543390 514888328 /nfs/dbraw/zinc/88/83/28/514888328.db2.gz GQOCHMPMMRWPEE-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC[N@H+]1C ZINC000489543390 514888336 /nfs/dbraw/zinc/88/83/36/514888336.db2.gz GQOCHMPMMRWPEE-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H](C)C1 ZINC000480302631 514914618 /nfs/dbraw/zinc/91/46/18/514914618.db2.gz VAVRHWXJDUETCR-ICSRJNTNSA-N 1 3 360.546 2.908 20 0 FFADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC[C@@H]1CCCO1 ZINC000467142007 514917112 /nfs/dbraw/zinc/91/71/12/514917112.db2.gz MGJIMLFLFACASV-NQIIRXRSSA-N 1 3 373.541 2.657 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000458576503 514917293 /nfs/dbraw/zinc/91/72/93/514917293.db2.gz DMPHVBVFJNCXHV-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000458576503 514917303 /nfs/dbraw/zinc/91/73/03/514917303.db2.gz DMPHVBVFJNCXHV-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458626022 514968238 /nfs/dbraw/zinc/96/82/38/514968238.db2.gz FXAQFTXBLGGJQY-WFXMLNOXSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458626022 514968248 /nfs/dbraw/zinc/96/82/48/514968248.db2.gz FXAQFTXBLGGJQY-WFXMLNOXSA-N 1 3 362.562 2.767 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)C1 ZINC000489777589 514972501 /nfs/dbraw/zinc/97/25/01/514972501.db2.gz LIZKEQAUCKMTMN-IYWMVGAKSA-N 1 3 364.578 2.726 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)C1 ZINC000489777589 514972511 /nfs/dbraw/zinc/97/25/11/514972511.db2.gz LIZKEQAUCKMTMN-IYWMVGAKSA-N 1 3 364.578 2.726 20 0 FFADHO C[NH+](C)CCCC(C)(C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000456166175 514996768 /nfs/dbraw/zinc/99/67/68/514996768.db2.gz IVXPDNOGIZKRKY-UHFFFAOYSA-N 1 3 374.573 2.825 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000458743739 515059645 /nfs/dbraw/zinc/05/96/45/515059645.db2.gz OGAZSWAZFDBNOK-RBBKRZOGSA-N 1 3 370.541 2.636 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000458743739 515059656 /nfs/dbraw/zinc/05/96/56/515059656.db2.gz OGAZSWAZFDBNOK-RBBKRZOGSA-N 1 3 370.541 2.636 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccco1 ZINC000458773773 515081743 /nfs/dbraw/zinc/08/17/43/515081743.db2.gz PVAYETGOPOFCBE-ABSDTBQOSA-N 1 3 362.518 2.836 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccco1 ZINC000458773773 515081749 /nfs/dbraw/zinc/08/17/49/515081749.db2.gz PVAYETGOPOFCBE-ABSDTBQOSA-N 1 3 362.518 2.836 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000503690563 515120243 /nfs/dbraw/zinc/12/02/43/515120243.db2.gz PRHNXJGGTNRRPK-QFBILLFUSA-N 1 3 358.530 2.994 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccco1 ZINC000480971429 515156321 /nfs/dbraw/zinc/15/63/21/515156321.db2.gz NQGWRTLXBXUCFL-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CCN(C2CCC2)C1 ZINC000490253069 515156612 /nfs/dbraw/zinc/15/66/12/515156612.db2.gz RFZSMXUXMULBMF-KRWDZBQOSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000485835442 515209733 /nfs/dbraw/zinc/20/97/33/515209733.db2.gz RRGCUMZOEHEXBK-SJLPKXTDSA-N 1 3 365.543 2.704 20 0 FFADHO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000485835442 515209744 /nfs/dbraw/zinc/20/97/44/515209744.db2.gz RRGCUMZOEHEXBK-SJLPKXTDSA-N 1 3 365.543 2.704 20 0 FFADHO CN1CCC2(CCCN2C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472305319 515215053 /nfs/dbraw/zinc/21/50/53/515215053.db2.gz JZYQPFMBDWQHHC-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC2(CCCN2C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472305319 515215062 /nfs/dbraw/zinc/21/50/62/515215062.db2.gz JZYQPFMBDWQHHC-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000509566580 515234739 /nfs/dbraw/zinc/23/47/39/515234739.db2.gz GGAWGHDPEMYRFM-ULQDDVLXSA-N 1 3 350.507 2.882 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000509566580 515234745 /nfs/dbraw/zinc/23/47/45/515234745.db2.gz GGAWGHDPEMYRFM-ULQDDVLXSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccco1 ZINC000509576275 515241561 /nfs/dbraw/zinc/24/15/61/515241561.db2.gz DUZDSDYAEIGACR-BBWFWOEESA-N 1 3 350.507 2.835 20 0 FFADHO C[NH+](C)CCOCCNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000499243662 515254727 /nfs/dbraw/zinc/25/47/27/515254727.db2.gz KQUSPPXESFSLRZ-UHFFFAOYSA-N 1 3 356.392 2.559 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccco1 ZINC000509611485 515255314 /nfs/dbraw/zinc/25/53/14/515255314.db2.gz QMEKLUYCBWFAPS-NXOAAHMSSA-N 1 3 350.507 2.690 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000509611485 515255321 /nfs/dbraw/zinc/25/53/21/515255321.db2.gz QMEKLUYCBWFAPS-NXOAAHMSSA-N 1 3 350.507 2.690 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000459274662 515439553 /nfs/dbraw/zinc/43/95/53/515439553.db2.gz ZUFSPYHEMIECPZ-IBGZPJMESA-N 1 3 350.551 2.626 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000459274662 515439566 /nfs/dbraw/zinc/43/95/66/515439566.db2.gz ZUFSPYHEMIECPZ-IBGZPJMESA-N 1 3 350.551 2.626 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C(=O)OCC)CC2)CC1 ZINC000473055477 515493314 /nfs/dbraw/zinc/49/33/14/515493314.db2.gz DPDKLWFQOJJGBM-UHFFFAOYSA-N 1 3 359.514 2.652 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+](C)C3CCCCC3)cc2)CC1 ZINC000468740608 515497608 /nfs/dbraw/zinc/49/76/08/515497608.db2.gz RVRBRJXCTQPBLW-UHFFFAOYSA-N 1 3 372.557 2.823 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000468740608 515497617 /nfs/dbraw/zinc/49/76/17/515497617.db2.gz RVRBRJXCTQPBLW-UHFFFAOYSA-N 1 3 372.557 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000505345836 515511377 /nfs/dbraw/zinc/51/13/77/515511377.db2.gz USFCHSOHBIWHJD-LJQANCHMSA-N 1 3 370.541 2.893 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000505345836 515511386 /nfs/dbraw/zinc/51/13/86/515511386.db2.gz USFCHSOHBIWHJD-LJQANCHMSA-N 1 3 370.541 2.893 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(C4CCC4)CCC3)CC2)CC1 ZINC000454468766 515512770 /nfs/dbraw/zinc/51/27/70/515512770.db2.gz ZWUKZWYMKZPCKX-UHFFFAOYSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000473202299 515535791 /nfs/dbraw/zinc/53/57/91/515535791.db2.gz AJNPEKNOIRVJQX-UNMCSNQZSA-N 1 3 367.537 2.910 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000473202299 515535797 /nfs/dbraw/zinc/53/57/97/515535797.db2.gz AJNPEKNOIRVJQX-UNMCSNQZSA-N 1 3 367.537 2.910 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000454607584 515605815 /nfs/dbraw/zinc/60/58/15/515605815.db2.gz OCFYQFNPEVZVQI-UYAOXDASSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000454607584 515605825 /nfs/dbraw/zinc/60/58/25/515605825.db2.gz OCFYQFNPEVZVQI-UYAOXDASSA-N 1 3 370.541 2.634 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1 ZINC000505725912 515644672 /nfs/dbraw/zinc/64/46/72/515644672.db2.gz NVYWJUQKLYPJDT-GOSISDBHSA-N 1 3 351.922 2.757 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1 ZINC000505725912 515644679 /nfs/dbraw/zinc/64/46/79/515644679.db2.gz NVYWJUQKLYPJDT-GOSISDBHSA-N 1 3 351.922 2.757 20 0 FFADHO CCCc1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN2CC)s1 ZINC000505737617 515651457 /nfs/dbraw/zinc/65/14/57/515651457.db2.gz GRQPEUABMICZSI-MRXNPFEDSA-N 1 3 366.575 2.892 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc2ccccc21 ZINC000505755312 515658687 /nfs/dbraw/zinc/65/86/87/515658687.db2.gz RCQGAVOZQYADSM-LJQANCHMSA-N 1 3 356.514 2.516 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc2ccccc21 ZINC000505755312 515658699 /nfs/dbraw/zinc/65/86/99/515658699.db2.gz RCQGAVOZQYADSM-LJQANCHMSA-N 1 3 356.514 2.516 20 0 FFADHO CN(CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000482572749 515722591 /nfs/dbraw/zinc/72/25/91/515722591.db2.gz CKGUQCWMSIFANO-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000482572749 515722598 /nfs/dbraw/zinc/72/25/98/515722598.db2.gz CKGUQCWMSIFANO-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000482572751 515724099 /nfs/dbraw/zinc/72/40/99/515724099.db2.gz CKGUQCWMSIFANO-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000482572751 515724107 /nfs/dbraw/zinc/72/41/07/515724107.db2.gz CKGUQCWMSIFANO-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473824241 515765045 /nfs/dbraw/zinc/76/50/45/515765045.db2.gz UXYFXCXIFIATHH-UHFFFAOYSA-N 1 3 361.534 2.682 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473824241 515765057 /nfs/dbraw/zinc/76/50/57/515765057.db2.gz UXYFXCXIFIATHH-UHFFFAOYSA-N 1 3 361.534 2.682 20 0 FFADHO COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(Br)c1[O-] ZINC000459735010 515778163 /nfs/dbraw/zinc/77/81/63/515778163.db2.gz PHWGIPJYAMTVHY-LBPRGKRZSA-N 1 3 357.292 2.985 20 0 FFADHO COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(Br)c1[O-] ZINC000459735010 515778169 /nfs/dbraw/zinc/77/81/69/515778169.db2.gz PHWGIPJYAMTVHY-LBPRGKRZSA-N 1 3 357.292 2.985 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[C@@H]21 ZINC000454926465 515839004 /nfs/dbraw/zinc/83/90/04/515839004.db2.gz PULXNVVCYXWULM-HSALFYBXSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[C@@H]21 ZINC000454926465 515839011 /nfs/dbraw/zinc/83/90/11/515839011.db2.gz PULXNVVCYXWULM-HSALFYBXSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000483142530 515947303 /nfs/dbraw/zinc/94/73/03/515947303.db2.gz UXVCLRSORZXGTI-WWNPGLIZSA-N 1 3 373.585 2.939 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000469762488 515954994 /nfs/dbraw/zinc/95/49/94/515954994.db2.gz CVHBJBTUUMPKST-JRQBXCBPSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000469762488 515955003 /nfs/dbraw/zinc/95/50/03/515955003.db2.gz CVHBJBTUUMPKST-JRQBXCBPSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487834628 515999395 /nfs/dbraw/zinc/99/93/95/515999395.db2.gz IMGFGWUONZHXHQ-QGZVKYPTSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487834628 515999402 /nfs/dbraw/zinc/99/94/02/515999402.db2.gz IMGFGWUONZHXHQ-QGZVKYPTSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H](C)C1 ZINC000487849907 516006592 /nfs/dbraw/zinc/00/65/92/516006592.db2.gz JAKOSUYJNBBFTI-IYWMVGAKSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H](C)C1 ZINC000487849907 516006607 /nfs/dbraw/zinc/00/66/07/516006607.db2.gz JAKOSUYJNBBFTI-IYWMVGAKSA-N 1 3 364.578 2.870 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000511909992 516075606 /nfs/dbraw/zinc/07/56/06/516075606.db2.gz LVPRKCCWERZRHK-FQEVSTJZSA-N 1 3 360.546 2.943 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000511909992 516075616 /nfs/dbraw/zinc/07/56/16/516075616.db2.gz LVPRKCCWERZRHK-FQEVSTJZSA-N 1 3 360.546 2.943 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457699754 516079489 /nfs/dbraw/zinc/07/94/89/516079489.db2.gz WZZHBSXOYBYKFB-IAGOWNOFSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@H+]1CCC[C@@H](C)C1 ZINC000457699754 516079501 /nfs/dbraw/zinc/07/95/01/516079501.db2.gz WZZHBSXOYBYKFB-IAGOWNOFSA-N 1 3 366.575 2.942 20 0 FFADHO CC[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000479197489 516102178 /nfs/dbraw/zinc/10/21/78/516102178.db2.gz VCTQQXJNWWEHMT-LEWJYISDSA-N 1 3 369.484 2.821 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457735728 516108219 /nfs/dbraw/zinc/10/82/19/516108219.db2.gz LZCFKJFZGCABFG-SFHLNBCPSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000479222812 516113737 /nfs/dbraw/zinc/11/37/37/516113737.db2.gz XLDZXIFCAFEHOF-YSGRDPCXSA-N 1 3 355.457 2.647 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(F)cc1 ZINC000479228152 516117415 /nfs/dbraw/zinc/11/74/15/516117415.db2.gz QMVXWWKEZRESHQ-PMACEKPBSA-N 1 3 355.457 2.649 20 0 FFADHO CCN(CCNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000460346815 516123629 /nfs/dbraw/zinc/12/36/29/516123629.db2.gz HZQPSZVFKXVEQL-WOJBJXKFSA-N 1 3 370.541 2.634 20 0 FFADHO CCN(CCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000460346815 516123640 /nfs/dbraw/zinc/12/36/40/516123640.db2.gz HZQPSZVFKXVEQL-WOJBJXKFSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000501494422 516124119 /nfs/dbraw/zinc/12/41/19/516124119.db2.gz JKLWGUULYQPJAE-AKHDSKFASA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000501494422 516124130 /nfs/dbraw/zinc/12/41/30/516124130.db2.gz JKLWGUULYQPJAE-AKHDSKFASA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000501498708 516126408 /nfs/dbraw/zinc/12/64/08/516126408.db2.gz AJPAOFCAFGZFFA-OALUTQOASA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000501498708 516126418 /nfs/dbraw/zinc/12/64/18/516126418.db2.gz AJPAOFCAFGZFFA-OALUTQOASA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000465354379 516131404 /nfs/dbraw/zinc/13/14/04/516131404.db2.gz IPKRJSAGVNRBHH-HXUWFJFHSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1CCCC[C@H]1C ZINC000501532999 516143873 /nfs/dbraw/zinc/14/38/73/516143873.db2.gz PLZXSHHTSCIUFH-MOPGFXCFSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@H+]1CCCC[C@H]1C ZINC000501532999 516143879 /nfs/dbraw/zinc/14/38/79/516143879.db2.gz PLZXSHHTSCIUFH-MOPGFXCFSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000457789883 516147120 /nfs/dbraw/zinc/14/71/20/516147120.db2.gz QANSZXGZDWIWTG-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000457789883 516147131 /nfs/dbraw/zinc/14/71/31/516147131.db2.gz QANSZXGZDWIWTG-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000507378519 516194228 /nfs/dbraw/zinc/19/42/28/516194228.db2.gz GBHJBBYXIHDROZ-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000507378519 516194238 /nfs/dbraw/zinc/19/42/38/516194238.db2.gz GBHJBBYXIHDROZ-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCCC[C@@H]1C)CC2 ZINC000465553937 516195048 /nfs/dbraw/zinc/19/50/48/516195048.db2.gz XGNAYIMNQVHFPI-OKYOBFRVSA-N 1 3 350.551 2.906 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCCC[C@@H]1C)CC2 ZINC000465553937 516195056 /nfs/dbraw/zinc/19/50/56/516195056.db2.gz XGNAYIMNQVHFPI-OKYOBFRVSA-N 1 3 350.551 2.906 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@@H]1C ZINC000483790204 516212845 /nfs/dbraw/zinc/21/28/45/516212845.db2.gz HZMZRFJXNRVLTN-PXNSSMCTSA-N 1 3 372.557 2.600 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@@H]1C ZINC000483790204 516212851 /nfs/dbraw/zinc/21/28/51/516212851.db2.gz HZMZRFJXNRVLTN-PXNSSMCTSA-N 1 3 372.557 2.600 20 0 FFADHO CC[N@H+](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C(C)C ZINC000512334316 516243793 /nfs/dbraw/zinc/24/37/93/516243793.db2.gz PONOAJMTKMHTRR-SFHVURJKSA-N 1 3 367.484 2.990 20 0 FFADHO CC[N@@H+](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C(C)C ZINC000512334316 516243799 /nfs/dbraw/zinc/24/37/99/516243799.db2.gz PONOAJMTKMHTRR-SFHVURJKSA-N 1 3 367.484 2.990 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]Cc2ccnc(OCCN(C)C)c2)CC1 ZINC000474944376 516244678 /nfs/dbraw/zinc/24/46/78/516244678.db2.gz QGSVDALONWMBEH-UHFFFAOYSA-N 1 3 363.502 2.624 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)cc1 ZINC000488514341 516247432 /nfs/dbraw/zinc/24/74/32/516247432.db2.gz IVQDAWXOJDKAIG-QZTJIDSGSA-N 1 3 363.571 2.988 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000465772806 516253735 /nfs/dbraw/zinc/25/37/35/516253735.db2.gz BKLXVGCBIJPMSH-UHFFFAOYSA-N 1 3 372.557 2.507 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N1CCC(C)CC1 ZINC000488540940 516253944 /nfs/dbraw/zinc/25/39/44/516253944.db2.gz WNBLBVZAGZNKKN-MSOLQXFVSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N1CCC(C)CC1 ZINC000488540940 516253952 /nfs/dbraw/zinc/25/39/52/516253952.db2.gz WNBLBVZAGZNKKN-MSOLQXFVSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccnc3)CC2)C[C@@H](C)O1 ZINC000483961168 516261061 /nfs/dbraw/zinc/26/10/61/516261061.db2.gz OKZATDKUUPKZEX-QZTJIDSGSA-N 1 3 374.529 2.622 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)N(C)C)cc1 ZINC000488582474 516268158 /nfs/dbraw/zinc/26/81/58/516268158.db2.gz NQENMDPZCBUETR-JYRKZWEQSA-N 1 3 372.557 2.969 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)N(C)C)cc1 ZINC000488582474 516268160 /nfs/dbraw/zinc/26/81/60/516268160.db2.gz NQENMDPZCBUETR-JYRKZWEQSA-N 1 3 372.557 2.969 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC000501950375 516272236 /nfs/dbraw/zinc/27/22/36/516272236.db2.gz UNEIVNURWBWYDI-GOSISDBHSA-N 1 3 364.509 2.850 20 0 FFADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000484165073 516307789 /nfs/dbraw/zinc/30/77/89/516307789.db2.gz DPCGZPSCNBPECM-WMZOPIPTSA-N 1 3 350.478 2.907 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000512610723 516312374 /nfs/dbraw/zinc/31/23/74/516312374.db2.gz DKOXJPQYHQWLQN-WZDVCRERSA-N 1 3 367.537 2.886 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000512610722 516312986 /nfs/dbraw/zinc/31/29/86/516312986.db2.gz DKOXJPQYHQWLQN-ORLNPVNMSA-N 1 3 367.537 2.886 20 0 FFADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512631788 516316020 /nfs/dbraw/zinc/31/60/20/516316020.db2.gz SURSYGGMDRUTGE-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000497451041 516322718 /nfs/dbraw/zinc/32/27/18/516322718.db2.gz HWDBUONHHZSAEC-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000535395349 516338821 /nfs/dbraw/zinc/33/88/21/516338821.db2.gz QMEZHCQJQRQACR-HSALFYBXSA-N 1 3 356.514 2.702 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000522878262 516339263 /nfs/dbraw/zinc/33/92/63/516339263.db2.gz DTFVMDFOBSUJFK-RTBURBONSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000522878262 516339268 /nfs/dbraw/zinc/33/92/68/516339268.db2.gz DTFVMDFOBSUJFK-RTBURBONSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000531245809 516369725 /nfs/dbraw/zinc/36/97/25/516369725.db2.gz QHRAMZOJRODSSW-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000531245809 516369734 /nfs/dbraw/zinc/36/97/34/516369734.db2.gz QHRAMZOJRODSSW-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000523002990 516370320 /nfs/dbraw/zinc/37/03/20/516370320.db2.gz COWZTHOHOXPUFB-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO CN(CCC(=O)NCC(C)(C)N1CCc2ccccc2C1)c1cc[nH+]cc1 ZINC000543716045 516388293 /nfs/dbraw/zinc/38/82/93/516388293.db2.gz GXKRLXFDCVTBCA-UHFFFAOYSA-N 1 3 366.509 2.861 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000554332230 516392857 /nfs/dbraw/zinc/39/28/57/516392857.db2.gz VDUDKBGOYULTBE-FQEVSTJZSA-N 1 3 359.514 2.652 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1scnc1C1CC1 ZINC000535566390 516403332 /nfs/dbraw/zinc/40/33/32/516403332.db2.gz MSJCMHFSXOEXJP-OAHLLOKOSA-N 1 3 350.532 2.509 20 0 FFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357285 516425591 /nfs/dbraw/zinc/42/55/91/516425591.db2.gz SYYIYQDGRROKIS-OAHLLOKOSA-N 1 3 373.463 2.836 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000517739362 516432248 /nfs/dbraw/zinc/43/22/48/516432248.db2.gz OGMLZFDEUCWKSG-LEWJYISDSA-N 1 3 355.526 2.747 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000523346164 516445086 /nfs/dbraw/zinc/44/50/86/516445086.db2.gz CWIQCPZMTXILBV-NRFANRHFSA-N 1 3 372.557 2.579 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000523346164 516445095 /nfs/dbraw/zinc/44/50/95/516445095.db2.gz CWIQCPZMTXILBV-NRFANRHFSA-N 1 3 372.557 2.579 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523455164 516474974 /nfs/dbraw/zinc/47/49/74/516474974.db2.gz CWBJABHKJHZOOS-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3ccnn3C)cc2)C[C@H]1C ZINC000540325727 516510971 /nfs/dbraw/zinc/51/09/71/516510971.db2.gz SKLJYLIPCRDLMQ-HDICACEKSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3ccnn3C)cc2)C[C@H]1C ZINC000540325727 516510982 /nfs/dbraw/zinc/51/09/82/516510982.db2.gz SKLJYLIPCRDLMQ-HDICACEKSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3cncnc3)cc2)C[C@H]1C ZINC000540323057 516511378 /nfs/dbraw/zinc/51/13/78/516511378.db2.gz ABQWZMALMWXQRF-HDICACEKSA-N 1 3 354.498 2.776 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3cncnc3)cc2)C[C@H]1C ZINC000540323057 516511389 /nfs/dbraw/zinc/51/13/89/516511389.db2.gz ABQWZMALMWXQRF-HDICACEKSA-N 1 3 354.498 2.776 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)CC1 ZINC000535899089 516548507 /nfs/dbraw/zinc/54/85/07/516548507.db2.gz WMTHWOQVXVPQPT-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[C@H]1[NH3+] ZINC000518132027 516558069 /nfs/dbraw/zinc/55/80/69/516558069.db2.gz NRZAMGNOZFUZFL-QFBILLFUSA-N 1 3 360.502 2.752 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCC[NH+]2CCCCC2)CC1 ZINC000536134719 516644763 /nfs/dbraw/zinc/64/47/63/516644763.db2.gz DNMLEVYBZNVZMZ-UHFFFAOYSA-N 1 3 350.938 2.667 20 0 FFADHO COc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000540789994 516713117 /nfs/dbraw/zinc/71/31/17/516713117.db2.gz YUESOHSRPVJXLE-UTKZUKDTSA-N 1 3 369.509 2.635 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000536307741 516714666 /nfs/dbraw/zinc/71/46/66/516714666.db2.gz SEPHPHFETXARBK-BHDDXSALSA-N 1 3 369.553 2.871 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000518594196 516715340 /nfs/dbraw/zinc/71/53/40/516715340.db2.gz SEFNTQDXKFDRRE-PMACEKPBSA-N 1 3 358.530 2.868 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCCN(C)CC3)c2)CC1 ZINC000524429624 516717806 /nfs/dbraw/zinc/71/78/06/516717806.db2.gz PCJYJRAZKRISLV-UHFFFAOYSA-N 1 3 358.530 2.766 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(-c2ccccn2)s1 ZINC000558419180 516732018 /nfs/dbraw/zinc/73/20/18/516732018.db2.gz JSTOAPXWGHSZIS-UHFFFAOYSA-N 1 3 359.543 2.663 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000555077213 516769927 /nfs/dbraw/zinc/76/99/27/516769927.db2.gz VUGPJZPBCIPAOJ-BZSNNMDCSA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000555077213 516769931 /nfs/dbraw/zinc/76/99/31/516769931.db2.gz VUGPJZPBCIPAOJ-BZSNNMDCSA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000555077214 516770762 /nfs/dbraw/zinc/77/07/62/516770762.db2.gz VUGPJZPBCIPAOJ-FGTMMUONSA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000555077214 516770769 /nfs/dbraw/zinc/77/07/69/516770769.db2.gz VUGPJZPBCIPAOJ-FGTMMUONSA-N 1 3 364.921 2.869 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699203 516828427 /nfs/dbraw/zinc/82/84/27/516828427.db2.gz QZSAXZSPHDDIMO-DHIUTWEWSA-N 1 3 371.569 2.941 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699203 516828431 /nfs/dbraw/zinc/82/84/31/516828431.db2.gz QZSAXZSPHDDIMO-DHIUTWEWSA-N 1 3 371.569 2.941 20 0 FFADHO Cc1ccc2c(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)ccc([O-])c2n1 ZINC000514076428 516851149 /nfs/dbraw/zinc/85/11/49/516851149.db2.gz YEQPWXBVAUPXKA-INIZCTEOSA-N 1 3 357.498 2.773 20 0 FFADHO Cc1ccc2c(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)ccc([O-])c2n1 ZINC000514076428 516851156 /nfs/dbraw/zinc/85/11/56/516851156.db2.gz YEQPWXBVAUPXKA-INIZCTEOSA-N 1 3 357.498 2.773 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000514202379 516901463 /nfs/dbraw/zinc/90/14/63/516901463.db2.gz WKVXGKAPECYOOB-YOUFYPILSA-N 1 3 374.573 2.825 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000514202379 516901471 /nfs/dbraw/zinc/90/14/71/516901471.db2.gz WKVXGKAPECYOOB-YOUFYPILSA-N 1 3 374.573 2.825 20 0 FFADHO CN1CCN(Cc2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)CC1 ZINC000551939326 516972998 /nfs/dbraw/zinc/97/29/98/516972998.db2.gz PCMMYJPVVIKLEV-UHFFFAOYSA-N 1 3 366.509 2.748 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000519449623 517004105 /nfs/dbraw/zinc/00/41/05/517004105.db2.gz IIZKYBVGFDIKGR-HNNXBMFYSA-N 1 3 370.488 2.768 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532504140 517007809 /nfs/dbraw/zinc/00/78/09/517007809.db2.gz CUJGRNSUIYFTKN-HZPDHXFCSA-N 1 3 357.498 2.723 20 0 FFADHO O=C(NCC1CC[NH2+]CC1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000519529558 517029739 /nfs/dbraw/zinc/02/97/39/517029739.db2.gz USTJBKSSJCOHII-UHFFFAOYSA-N 1 3 360.502 2.672 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000519599511 517071484 /nfs/dbraw/zinc/07/14/84/517071484.db2.gz JLKIWLUHWHMOGC-UHFFFAOYSA-N 1 3 354.498 2.939 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000545152490 517071968 /nfs/dbraw/zinc/07/19/68/517071968.db2.gz GVRIRRCSIPXCCV-HXUWFJFHSA-N 1 3 356.514 2.775 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000532795125 517147344 /nfs/dbraw/zinc/14/73/44/517147344.db2.gz QYKJDSTUUGAGDE-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000532795125 517147354 /nfs/dbraw/zinc/14/73/54/517147354.db2.gz QYKJDSTUUGAGDE-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO Cn1cc(C[NH2+]CC2=CCN(C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000537343651 517150591 /nfs/dbraw/zinc/15/05/91/517150591.db2.gz LWDMXMFUELJPDF-UHFFFAOYSA-N 1 3 368.481 2.600 20 0 FFADHO Cn1cc(CNCC2=CC[N@H+](C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000537343651 517150604 /nfs/dbraw/zinc/15/06/04/517150604.db2.gz LWDMXMFUELJPDF-UHFFFAOYSA-N 1 3 368.481 2.600 20 0 FFADHO Cn1cc(CNCC2=CC[N@@H+](C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000537343651 517150612 /nfs/dbraw/zinc/15/06/12/517150612.db2.gz LWDMXMFUELJPDF-UHFFFAOYSA-N 1 3 368.481 2.600 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)CCC[NH+]2CCCC2)N(C)C)cc1 ZINC000537400089 517170205 /nfs/dbraw/zinc/17/02/05/517170205.db2.gz JIISDHOXMKENJL-HXUWFJFHSA-N 1 3 360.546 2.979 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)N1CCC(C)CC1 ZINC000520067759 517269801 /nfs/dbraw/zinc/26/98/01/517269801.db2.gz GJFUOBLEDTZYRY-PKOBYXMFSA-N 1 3 352.567 2.917 20 0 FFADHO CN(c1ccccc1CN1CCN(C2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000537638501 517273995 /nfs/dbraw/zinc/27/39/95/517273995.db2.gz SZWURJGDNNYYHE-UHFFFAOYSA-N 1 3 356.558 2.887 20 0 FFADHO CCN1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000556234137 517330285 /nfs/dbraw/zinc/33/02/85/517330285.db2.gz VCZIIXQBLMKUDZ-NRFANRHFSA-N 1 3 371.569 2.989 20 0 FFADHO Cn1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(-c2ccccc2)n1 ZINC000562751449 517367779 /nfs/dbraw/zinc/36/77/79/517367779.db2.gz ZUCFDRKVOOHIFV-VQTJNVASSA-N 1 3 354.498 2.805 20 0 FFADHO Cc1cc(C)c([C@H](C)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)c1 ZINC000520379394 517369206 /nfs/dbraw/zinc/36/92/06/517369206.db2.gz USJAFUSJYYXSHJ-IHPCNDPISA-N 1 3 370.541 2.893 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000545867099 517402946 /nfs/dbraw/zinc/40/29/46/517402946.db2.gz NYTHZBAZMJOVOC-UYAOXDASSA-N 1 3 356.514 2.773 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000545867099 517402953 /nfs/dbraw/zinc/40/29/53/517402953.db2.gz NYTHZBAZMJOVOC-UYAOXDASSA-N 1 3 356.514 2.773 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562806186 517420416 /nfs/dbraw/zinc/42/04/16/517420416.db2.gz PWMBPCFTYBWKAI-RBBKRZOGSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000562806277 517420707 /nfs/dbraw/zinc/42/07/07/517420707.db2.gz ZDHWSQLTXBQJRF-IRLDBZIGSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545912459 517429391 /nfs/dbraw/zinc/42/93/91/517429391.db2.gz IAGPWHBHRSVWFY-YLJYHZDGSA-N 1 3 360.546 2.835 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000549192678 517448343 /nfs/dbraw/zinc/44/83/43/517448343.db2.gz ZMQQEFJPHLFWHI-INIZCTEOSA-N 1 3 370.497 2.755 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000549192678 517448354 /nfs/dbraw/zinc/44/83/54/517448354.db2.gz ZMQQEFJPHLFWHI-INIZCTEOSA-N 1 3 370.497 2.755 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000552966082 517457290 /nfs/dbraw/zinc/45/72/90/517457290.db2.gz HZYHAIVTYIWLGQ-NRFANRHFSA-N 1 3 351.494 2.887 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000552966082 517457295 /nfs/dbraw/zinc/45/72/95/517457295.db2.gz HZYHAIVTYIWLGQ-NRFANRHFSA-N 1 3 351.494 2.887 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533430627 517458316 /nfs/dbraw/zinc/45/83/16/517458316.db2.gz SIAQZELMSMWGSH-RLLQIKCJSA-N 1 3 365.562 2.501 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000515810885 517481736 /nfs/dbraw/zinc/48/17/36/517481736.db2.gz FJGOSFZHPAJZLC-PXNSSMCTSA-N 1 3 356.514 2.649 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000530030795 517513230 /nfs/dbraw/zinc/51/32/30/517513230.db2.gz WGTAYEVBXMHCTN-FQEVSTJZSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000530030795 517513238 /nfs/dbraw/zinc/51/32/38/517513238.db2.gz WGTAYEVBXMHCTN-FQEVSTJZSA-N 1 3 350.466 2.994 20 0 FFADHO CCOC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000520892962 517543809 /nfs/dbraw/zinc/54/38/09/517543809.db2.gz LLYKUSLFEDSWGH-LJQANCHMSA-N 1 3 360.498 2.792 20 0 FFADHO CCOC(=O)COc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000520892962 517543820 /nfs/dbraw/zinc/54/38/20/517543820.db2.gz LLYKUSLFEDSWGH-LJQANCHMSA-N 1 3 360.498 2.792 20 0 FFADHO CN(C)CCN1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530232579 517641623 /nfs/dbraw/zinc/64/16/23/517641623.db2.gz KLTBOSWTXLHCEO-UHFFFAOYSA-N 1 3 359.558 2.691 20 0 FFADHO CCc1ccc2c(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000530242916 517650190 /nfs/dbraw/zinc/65/01/90/517650190.db2.gz VSMVABWDRQSOGO-LJQANCHMSA-N 1 3 370.493 2.946 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOc3ccccc3C)CC2)CC1 ZINC000553340685 517654097 /nfs/dbraw/zinc/65/40/97/517654097.db2.gz SCSITVOPIMKCEL-UHFFFAOYSA-N 1 3 373.541 2.686 20 0 FFADHO CN(CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542786257 517740913 /nfs/dbraw/zinc/74/09/13/517740913.db2.gz TXEVIWQDPNWOGZ-FQEVSTJZSA-N 1 3 352.482 2.641 20 0 FFADHO C[C@@H]1CC[C@@]2(CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)C1 ZINC000542851931 517779582 /nfs/dbraw/zinc/77/95/82/517779582.db2.gz MTJINPIYHCFOFT-DYESRHJHSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000563330748 517828789 /nfs/dbraw/zinc/82/87/89/517828789.db2.gz GXMIPDJRMHDMAD-LJQANCHMSA-N 1 3 372.557 2.811 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000563330748 517828795 /nfs/dbraw/zinc/82/87/95/517828795.db2.gz GXMIPDJRMHDMAD-LJQANCHMSA-N 1 3 372.557 2.811 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000557167072 517895802 /nfs/dbraw/zinc/89/58/02/517895802.db2.gz CBXAEZPJECTXAB-SZVBFZGTSA-N 1 3 364.559 2.820 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000543081326 517897992 /nfs/dbraw/zinc/89/79/92/517897992.db2.gz SSDYAEWNKKYWDV-OAHLLOKOSA-N 1 3 373.497 2.797 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)C1 ZINC000553783521 517900810 /nfs/dbraw/zinc/90/08/10/517900810.db2.gz JIHFRZBQYJRJTK-XUJOWKJQSA-N 1 3 369.553 2.943 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)C1 ZINC000553783521 517900818 /nfs/dbraw/zinc/90/08/18/517900818.db2.gz JIHFRZBQYJRJTK-XUJOWKJQSA-N 1 3 369.553 2.943 20 0 FFADHO CN1CCO[C@H]([C@H](NC[C@H]2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000516964437 517947375 /nfs/dbraw/zinc/94/73/75/517947375.db2.gz NOIHIUACYMJVSB-KLIQENQMSA-N 1 3 351.922 2.819 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC000522077613 517979472 /nfs/dbraw/zinc/97/94/72/517979472.db2.gz PBDNBVTURYEQML-LEWJYISDSA-N 1 3 372.557 2.818 20 0 FFADHO CSC1(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCN(C)CC1 ZINC000517063354 518006315 /nfs/dbraw/zinc/00/63/15/518006315.db2.gz GGRXIMIZZWIBTN-QGZVFWFLSA-N 1 3 370.607 2.624 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@H](NCCn1cnnc1C1CC1)c1ccccc1O2 ZINC000539396613 518028103 /nfs/dbraw/zinc/02/81/03/518028103.db2.gz INBWNGKPQXJDQX-SFHVURJKSA-N 1 3 367.497 2.733 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCCC[C@H]1C ZINC000517149053 518042252 /nfs/dbraw/zinc/04/22/52/518042252.db2.gz QPQUIFWICADXRR-GUDVDZBRSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C[C@@H]1C[NH3+] ZINC000563693381 518074269 /nfs/dbraw/zinc/07/42/69/518074269.db2.gz WNYRAFQCCFGGGR-XLIONFOSSA-N 1 3 358.530 2.799 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C12CCC2 ZINC000539495128 518075822 /nfs/dbraw/zinc/07/58/22/518075822.db2.gz FKQRSQRPZOPSJX-VQTJNVASSA-N 1 3 358.530 2.531 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000554178552 518095047 /nfs/dbraw/zinc/09/50/47/518095047.db2.gz DOHYQJTZQQBSBL-GVDBMIGSSA-N 1 3 350.507 2.740 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000554178552 518095054 /nfs/dbraw/zinc/09/50/54/518095054.db2.gz DOHYQJTZQQBSBL-GVDBMIGSSA-N 1 3 350.507 2.740 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522468451 518112453 /nfs/dbraw/zinc/11/24/53/518112453.db2.gz DQCNCNPRGIXCKQ-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522468451 518112462 /nfs/dbraw/zinc/11/24/62/518112462.db2.gz DQCNCNPRGIXCKQ-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO NC[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000517340572 518122432 /nfs/dbraw/zinc/12/24/32/518122432.db2.gz QJYDOJIMWWAFGD-NJYVYQBISA-N 1 3 366.509 2.871 20 0 FFADHO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000522695668 518149506 /nfs/dbraw/zinc/14/95/06/518149506.db2.gz XNERXZMEKKGOQN-BEFAXECRSA-N 1 3 374.529 2.761 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522828846 518167227 /nfs/dbraw/zinc/16/72/27/518167227.db2.gz SQPOARJOQARYBR-GOSISDBHSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000575401615 518212050 /nfs/dbraw/zinc/21/20/50/518212050.db2.gz ASRLERCJPLRBPZ-OAHLLOKOSA-N 1 3 359.495 2.536 20 0 FFADHO c1cc(C2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc2c1OCO2 ZINC000566843624 518229066 /nfs/dbraw/zinc/22/90/66/518229066.db2.gz GIHCTFHRWLEVRC-CEXWTWQISA-N 1 3 372.509 2.974 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000566848691 518231139 /nfs/dbraw/zinc/23/11/39/518231139.db2.gz HGXPSSPORNCWLW-YLJYHZDGSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000566848691 518231145 /nfs/dbraw/zinc/23/11/45/518231145.db2.gz HGXPSSPORNCWLW-YLJYHZDGSA-N 1 3 360.546 2.925 20 0 FFADHO C[C@H](C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000584226964 518236898 /nfs/dbraw/zinc/23/68/98/518236898.db2.gz YVXWDTSOSBXHOT-ZBFHGGJFSA-N 1 3 360.420 2.767 20 0 FFADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000578504921 518243752 /nfs/dbraw/zinc/24/37/52/518243752.db2.gz ZSFFEKAQPCMRBO-KGLIPLIRSA-N 1 3 374.451 2.904 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(-n2cccn2)cc1 ZINC000566881957 518244562 /nfs/dbraw/zinc/24/45/62/518244562.db2.gz CRAPYGOQBLXVEG-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(-n2cccn2)cc1 ZINC000566881957 518244567 /nfs/dbraw/zinc/24/45/67/518244567.db2.gz CRAPYGOQBLXVEG-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3cccs3)CC2)CC1 ZINC000569824705 518312989 /nfs/dbraw/zinc/31/29/89/518312989.db2.gz VYFHXEZMBLYRRS-UHFFFAOYSA-N 1 3 363.571 2.993 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000567034671 518322147 /nfs/dbraw/zinc/32/21/47/518322147.db2.gz JOKHPEOTPDDFRQ-UHFFFAOYSA-N 1 3 358.530 2.621 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3COC)CC2)CC1 ZINC000572733725 518337507 /nfs/dbraw/zinc/33/75/07/518337507.db2.gz KMYNPPZJDYEPME-UHFFFAOYSA-N 1 3 359.514 2.968 20 0 FFADHO COC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000564307680 518390760 /nfs/dbraw/zinc/39/07/60/518390760.db2.gz PWZNFPNSTJNUFJ-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO COC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000564307680 518390764 /nfs/dbraw/zinc/39/07/64/518390764.db2.gz PWZNFPNSTJNUFJ-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000567251564 518431108 /nfs/dbraw/zinc/43/11/08/518431108.db2.gz TUWKZCJQTROFKA-WMQCIHAUSA-N 1 3 373.541 2.560 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581776129 518448914 /nfs/dbraw/zinc/44/89/14/518448914.db2.gz HZJCDXPAAGNSKW-WCIQWLHISA-N 1 3 356.514 2.511 20 0 FFADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000576194011 518472383 /nfs/dbraw/zinc/47/23/83/518472383.db2.gz OUFSRGPZHQKXAF-HXUWFJFHSA-N 1 3 361.505 2.725 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3[C@H](C)[NH3+])c(C)c2)CC1 ZINC000567356035 518482956 /nfs/dbraw/zinc/48/29/56/518482956.db2.gz FJAGVWREXLYIHL-PXNSSMCTSA-N 1 3 373.545 2.871 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573070900 518491312 /nfs/dbraw/zinc/49/13/12/518491312.db2.gz CYUUTIUKIKKNHR-MSOLQXFVSA-N 1 3 372.513 2.625 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000581933230 518508793 /nfs/dbraw/zinc/50/87/93/518508793.db2.gz AQEADBSPBKWYRX-XLIONFOSSA-N 1 3 372.557 2.758 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccccc1 ZINC000576272468 518512582 /nfs/dbraw/zinc/51/25/82/518512582.db2.gz ZFRWOHCYTBVCDK-RTWAWAEBSA-N 1 3 354.494 2.581 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccccc1 ZINC000576272468 518512588 /nfs/dbraw/zinc/51/25/88/518512588.db2.gz ZFRWOHCYTBVCDK-RTWAWAEBSA-N 1 3 354.494 2.581 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)COc1ccccc1 ZINC000576272468 518512591 /nfs/dbraw/zinc/51/25/91/518512591.db2.gz ZFRWOHCYTBVCDK-RTWAWAEBSA-N 1 3 354.494 2.581 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3c4ccccc4O[C@H]3C)CC2)CC1 ZINC000581953651 518518790 /nfs/dbraw/zinc/51/87/90/518518790.db2.gz VKFPKOKIXYUQCY-HRAATJIYSA-N 1 3 371.525 2.821 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@]1(C)CCCO1 ZINC000579133624 518538304 /nfs/dbraw/zinc/53/83/04/518538304.db2.gz XQSWLYWVEZEXAA-UWJYYQICSA-N 1 3 359.514 2.559 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000567469469 518540943 /nfs/dbraw/zinc/54/09/43/518540943.db2.gz DYMNZESULJPCAY-IFMALSPDSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000567469469 518540953 /nfs/dbraw/zinc/54/09/53/518540953.db2.gz DYMNZESULJPCAY-IFMALSPDSA-N 1 3 363.505 2.902 20 0 FFADHO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC(CC[NH3+])CC1 ZINC000564661961 518551989 /nfs/dbraw/zinc/55/19/89/518551989.db2.gz UVWXBJMOQDLIFL-HNNXBMFYSA-N 1 3 367.921 2.627 20 0 FFADHO COC(=O)C1CCN(CCCNc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000564682564 518563285 /nfs/dbraw/zinc/56/32/85/518563285.db2.gz HRHAEYNDNXBLKN-UHFFFAOYSA-N 1 3 355.482 2.961 20 0 FFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000564723783 518583939 /nfs/dbraw/zinc/58/39/39/518583939.db2.gz SNFDEGNKOUVQSC-VOQZNFBZSA-N 1 3 354.494 2.507 20 0 FFADHO O=C(COc1ccccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCCC1 ZINC000579238476 518588530 /nfs/dbraw/zinc/58/85/30/518588530.db2.gz HNYXSMDAACTQGM-LJQANCHMSA-N 1 3 371.525 2.509 20 0 FFADHO C[C@]1(NC(=O)NC2CC[NH+](C3CCC3)CC2)CCN(Cc2ccccc2)C1 ZINC000570454265 518615894 /nfs/dbraw/zinc/61/58/94/518615894.db2.gz HHMCDOBPGZQCDB-QFIPXVFZSA-N 1 3 370.541 2.967 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)c2conc2C(C)(C)N)[C@@H]1c1cccs1 ZINC000573338348 518620067 /nfs/dbraw/zinc/62/00/67/518620067.db2.gz KVTHLUQKYTYQKC-IUODEOHRSA-N 1 3 362.499 2.743 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)c2conc2C(C)(C)N)[C@@H]1c1cccs1 ZINC000573338348 518620072 /nfs/dbraw/zinc/62/00/72/518620072.db2.gz KVTHLUQKYTYQKC-IUODEOHRSA-N 1 3 362.499 2.743 20 0 FFADHO NCc1cn([C@@H]2CCCN(Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000579329236 518628009 /nfs/dbraw/zinc/62/80/09/518628009.db2.gz ZNQXDQODPILJFV-GOSISDBHSA-N 1 3 355.486 2.895 20 0 FFADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000579329236 518628015 /nfs/dbraw/zinc/62/80/15/518628015.db2.gz ZNQXDQODPILJFV-GOSISDBHSA-N 1 3 355.486 2.895 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000567678636 518646285 /nfs/dbraw/zinc/64/62/85/518646285.db2.gz XSQCEOGPBCDSIX-MRXNPFEDSA-N 1 3 356.507 2.701 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000567678636 518646288 /nfs/dbraw/zinc/64/62/88/518646288.db2.gz XSQCEOGPBCDSIX-MRXNPFEDSA-N 1 3 356.507 2.701 20 0 FFADHO N[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000582235402 518652230 /nfs/dbraw/zinc/65/22/30/518652230.db2.gz DUQNMWBZXNHPIA-SFTDATJTSA-N 1 3 364.493 2.824 20 0 FFADHO [NH3+][C@H]1C[C@H](NC2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000582235402 518652235 /nfs/dbraw/zinc/65/22/35/518652235.db2.gz DUQNMWBZXNHPIA-SFTDATJTSA-N 1 3 364.493 2.824 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000567685208 518654358 /nfs/dbraw/zinc/65/43/58/518654358.db2.gz XMGQSJOLVCWNOM-ARFHVFGLSA-N 1 3 371.319 2.651 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000570542016 518658124 /nfs/dbraw/zinc/65/81/24/518658124.db2.gz KDWACMDLWKIOJE-VWPQPMDRSA-N 1 3 358.574 2.655 20 0 FFADHO CCN(CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000586870011 518670277 /nfs/dbraw/zinc/67/02/77/518670277.db2.gz DLPZLYFLEYFVSY-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CCN(CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000586870011 518670284 /nfs/dbraw/zinc/67/02/84/518670284.db2.gz DLPZLYFLEYFVSY-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CNC(C)(C)Cc1ccc(Br)c(C)c1 ZINC000573455755 518675013 /nfs/dbraw/zinc/67/50/13/518675013.db2.gz PGWRIRYVDUUVBW-HNNXBMFYSA-N 1 3 357.336 2.981 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CNC(C)(C)Cc1ccc(Br)c(C)c1 ZINC000573455755 518675017 /nfs/dbraw/zinc/67/50/17/518675017.db2.gz PGWRIRYVDUUVBW-HNNXBMFYSA-N 1 3 357.336 2.981 20 0 FFADHO Cc1ncc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)n1C ZINC000570584199 518680497 /nfs/dbraw/zinc/68/04/97/518680497.db2.gz XHYBKSMKODLOFN-UHFFFAOYSA-N 1 3 355.530 2.729 20 0 FFADHO O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000567829537 518734400 /nfs/dbraw/zinc/73/44/00/518734400.db2.gz ZHJXCMNLLHLHAC-GOSISDBHSA-N 1 3 350.466 2.578 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000576729872 518735976 /nfs/dbraw/zinc/73/59/76/518735976.db2.gz DTOQOYBPXIPJSI-QUCCMNQESA-N 1 3 358.530 2.758 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000582595113 518829597 /nfs/dbraw/zinc/82/95/97/518829597.db2.gz PYRUDYIZLVRVKL-BZUAXINKSA-N 1 3 350.532 2.702 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccsc1 ZINC000568014794 518833454 /nfs/dbraw/zinc/83/34/54/518833454.db2.gz NRVIEQKNDYYJHT-KRWDZBQOSA-N 1 3 350.532 2.621 20 0 FFADHO Cc1ccc(NC(=O)[C@@H]2CNCc3ccccc32)c(OCC[NH+](C)C)c1 ZINC000576946959 518842058 /nfs/dbraw/zinc/84/20/58/518842058.db2.gz DZGILYUVDXDKNO-GOSISDBHSA-N 1 3 353.466 2.761 20 0 FFADHO C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000576967950 518853643 /nfs/dbraw/zinc/85/36/43/518853643.db2.gz HRWUYOSCXOWRPK-HLAWJBBLSA-N 1 3 358.526 2.930 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccccc2OC)CC1 ZINC000573883904 518879883 /nfs/dbraw/zinc/87/98/83/518879883.db2.gz OUDMGPZEGVNHDZ-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000582724939 518892954 /nfs/dbraw/zinc/89/29/54/518892954.db2.gz JVFCHOWUTIUQAE-DUXKGJEZSA-N 1 3 357.542 2.963 20 0 FFADHO CN1CCN([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000571073295 518913785 /nfs/dbraw/zinc/91/37/85/518913785.db2.gz PRUVEACMCQFRMX-FCGDIQPGSA-N 1 3 362.587 2.547 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000577119464 518923772 /nfs/dbraw/zinc/92/37/72/518923772.db2.gz GMSSLXWHPRLWSV-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](O)[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000579946947 518934244 /nfs/dbraw/zinc/93/42/44/518934244.db2.gz ISOORTVRBFDJDY-HOTGVXAUSA-N 1 3 373.463 2.967 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4cccnc4)C3)CC2)CC1 ZINC000568228360 518938969 /nfs/dbraw/zinc/93/89/69/518938969.db2.gz XGJHMGOOFNEEJL-FQEVSTJZSA-N 1 3 370.541 2.594 20 0 FFADHO CCO[C@H](C)c1nc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000582849504 518952989 /nfs/dbraw/zinc/95/29/89/518952989.db2.gz VYEFOHKFLPTPME-SJORKVTESA-N 1 3 366.575 2.748 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(OC)c(OC)cc1F ZINC000568278236 518960738 /nfs/dbraw/zinc/96/07/38/518960738.db2.gz FZAQOQPYTRDFEH-KRWDZBQOSA-N 1 3 367.509 2.691 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(OC)c(OC)cc1F ZINC000568278236 518960744 /nfs/dbraw/zinc/96/07/44/518960744.db2.gz FZAQOQPYTRDFEH-KRWDZBQOSA-N 1 3 367.509 2.691 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000568373193 519007661 /nfs/dbraw/zinc/00/76/61/519007661.db2.gz YLMJTPRSFKRANM-QUCCMNQESA-N 1 3 358.530 2.810 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCSCC(C)C)CC2)CC1 ZINC000565548574 519013833 /nfs/dbraw/zinc/01/38/33/519013833.db2.gz JFCNOACRURWPOG-UHFFFAOYSA-N 1 3 355.592 2.688 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000565647810 519062837 /nfs/dbraw/zinc/06/28/37/519062837.db2.gz XJQHFHNWACNRBH-SXLOBPIMSA-N 1 3 358.530 2.813 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000583074135 519064437 /nfs/dbraw/zinc/06/44/37/519064437.db2.gz JEYMWZMTVPPRSX-LJQANCHMSA-N 1 3 358.530 2.985 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000574274368 519074766 /nfs/dbraw/zinc/07/47/66/519074766.db2.gz DXRCMKAKWQGMKD-SFTDATJTSA-N 1 3 373.541 2.557 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000574274367 519075465 /nfs/dbraw/zinc/07/54/65/519075465.db2.gz DXRCMKAKWQGMKD-RTWAWAEBSA-N 1 3 373.541 2.557 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000580323903 519120071 /nfs/dbraw/zinc/12/00/71/519120071.db2.gz OBHHZOUVYPAYIO-HDMKZQKVSA-N 1 3 350.507 2.502 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000571535908 519146849 /nfs/dbraw/zinc/14/68/49/519146849.db2.gz UZBOYUHOUKZSAI-LEWJYISDSA-N 1 3 351.494 2.928 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000571535908 519146858 /nfs/dbraw/zinc/14/68/58/519146858.db2.gz UZBOYUHOUKZSAI-LEWJYISDSA-N 1 3 351.494 2.928 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000590184482 519170504 /nfs/dbraw/zinc/17/05/04/519170504.db2.gz BPUGTXBFZPJRGM-GBESFXJTSA-N 1 3 365.562 2.647 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000577637606 519182648 /nfs/dbraw/zinc/18/26/48/519182648.db2.gz JVSVJAOJCQRQKK-ZWKOTPCHSA-N 1 3 365.468 2.602 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000577637606 519182655 /nfs/dbraw/zinc/18/26/55/519182655.db2.gz JVSVJAOJCQRQKK-ZWKOTPCHSA-N 1 3 365.468 2.602 20 0 FFADHO COc1cc2c(c(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)c1)O[C@H](C)C2 ZINC000565940517 519207706 /nfs/dbraw/zinc/20/77/06/519207706.db2.gz VDOJEXNGFAOXHC-DJKXOVBDSA-N 1 3 360.498 2.737 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000571700997 519228567 /nfs/dbraw/zinc/22/85/67/519228567.db2.gz PXQHFEAYWXOCRP-YLJYHZDGSA-N 1 3 357.542 2.965 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000568877534 519263938 /nfs/dbraw/zinc/26/39/38/519263938.db2.gz BBOOXUTVYBZBFK-FQEVSTJZSA-N 1 3 370.541 2.954 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000571777044 519271225 /nfs/dbraw/zinc/27/12/25/519271225.db2.gz XMCPGDCZISGWNP-PXNSSMCTSA-N 1 3 358.530 2.541 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000571777044 519271232 /nfs/dbraw/zinc/27/12/32/519271232.db2.gz XMCPGDCZISGWNP-PXNSSMCTSA-N 1 3 358.530 2.541 20 0 FFADHO CN[C@H](CC(C)(C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000583498133 519281110 /nfs/dbraw/zinc/28/11/10/519281110.db2.gz AAVFLSRWIAIHOR-QGZVFWFLSA-N 1 3 361.534 2.575 20 0 FFADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCC2=CC[NH2+]CC2)cc1 ZINC000566092191 519292980 /nfs/dbraw/zinc/29/29/80/519292980.db2.gz RDUJUNSCETVHER-WOJBJXKFSA-N 1 3 362.539 2.979 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000574716855 519295566 /nfs/dbraw/zinc/29/55/66/519295566.db2.gz WSACZLPGQCOPAH-LJQANCHMSA-N 1 3 360.546 2.710 20 0 FFADHO C[N@H+](C[C@@H](O)CNC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1CC1 ZINC000566118014 519312776 /nfs/dbraw/zinc/31/27/76/519312776.db2.gz RLSYHXNEHLJVDB-PMACEKPBSA-N 1 3 365.949 2.739 20 0 FFADHO C[N@@H+](C[C@@H](O)CNC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1CC1 ZINC000566118014 519312783 /nfs/dbraw/zinc/31/27/83/519312783.db2.gz RLSYHXNEHLJVDB-PMACEKPBSA-N 1 3 365.949 2.739 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000571867213 519317730 /nfs/dbraw/zinc/31/77/30/519317730.db2.gz IBQVBBFYBNLRAK-IZZQQSIFSA-N 1 3 350.503 2.689 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH3+])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000566188667 519360725 /nfs/dbraw/zinc/36/07/25/519360725.db2.gz APVHSPMACVCJOQ-OAQYLSRUSA-N 1 3 366.509 2.951 20 0 FFADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578126476 519432031 /nfs/dbraw/zinc/43/20/31/519432031.db2.gz IBZKZQAYIKSRDX-OXJNMPFZSA-N 1 3 354.498 2.894 20 0 FFADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CNCc2ccccc21 ZINC000575056567 519476881 /nfs/dbraw/zinc/47/68/81/519476881.db2.gz GBZNICWBEQTVKW-HXUWFJFHSA-N 1 3 369.534 2.963 20 0 FFADHO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000591054635 519493155 /nfs/dbraw/zinc/49/31/55/519493155.db2.gz LLTNTYMZFXCBAL-UYAOXDASSA-N 1 3 361.505 2.980 20 0 FFADHO COCCC[NH+]1CCC(NC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569351318 519507123 /nfs/dbraw/zinc/50/71/23/519507123.db2.gz YGBJXHQTVMRFSS-GOSISDBHSA-N 1 3 374.447 2.699 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000575154577 519529192 /nfs/dbraw/zinc/52/91/92/519529192.db2.gz SDUHYFLNCWYGDE-WOJBJXKFSA-N 1 3 350.466 2.899 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N(C)C ZINC000578341840 519545774 /nfs/dbraw/zinc/54/57/74/519545774.db2.gz OBRMEJCPWKCBOW-UMGGQSCQSA-N 1 3 360.546 2.968 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N(C)C ZINC000578341840 519545783 /nfs/dbraw/zinc/54/57/83/519545783.db2.gz OBRMEJCPWKCBOW-UMGGQSCQSA-N 1 3 360.546 2.968 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N(C)C ZINC000578341839 519546327 /nfs/dbraw/zinc/54/63/27/519546327.db2.gz OBRMEJCPWKCBOW-BWPNAZKDSA-N 1 3 360.546 2.968 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)C ZINC000578341839 519546331 /nfs/dbraw/zinc/54/63/31/519546331.db2.gz OBRMEJCPWKCBOW-BWPNAZKDSA-N 1 3 360.546 2.968 20 0 FFADHO CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)[C@H]1n1cccn1 ZINC000575201231 519551544 /nfs/dbraw/zinc/55/15/44/519551544.db2.gz ZSOYSANZLUNNLM-UMSONDCASA-N 1 3 372.513 2.893 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nc4ccccc4o3)CC2)CC1 ZINC000566572372 519558139 /nfs/dbraw/zinc/55/81/39/519558139.db2.gz SANYWBBRSAURTB-UHFFFAOYSA-N 1 3 370.497 2.640 20 0 FFADHO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCCN3C3CCOCC3)cccc21 ZINC000566658240 519597646 /nfs/dbraw/zinc/59/76/46/519597646.db2.gz ALQFEGQICZGVAX-RTBURBONSA-N 1 3 373.497 2.654 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000584160495 519618304 /nfs/dbraw/zinc/61/83/04/519618304.db2.gz PSZGFCKUOSZLGW-FPOVZHCZSA-N 1 3 354.498 2.899 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566725809 519624064 /nfs/dbraw/zinc/62/40/64/519624064.db2.gz IMGZSIQNRDAQQF-IAGOWNOFSA-N 1 3 360.502 2.610 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000591542580 519945264 /nfs/dbraw/zinc/94/52/64/519945264.db2.gz CVXLSKXMVXRTEN-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000591542580 519945266 /nfs/dbraw/zinc/94/52/66/519945266.db2.gz CVXLSKXMVXRTEN-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000616714965 520100867 /nfs/dbraw/zinc/10/08/67/520100867.db2.gz GSTHSBYSXCZRAA-HBMCJLEFSA-N 1 3 355.526 2.999 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000612906272 520212746 /nfs/dbraw/zinc/21/27/46/520212746.db2.gz CMPNQCKOKRGMDC-RTWAWAEBSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000612906272 520212753 /nfs/dbraw/zinc/21/27/53/520212753.db2.gz CMPNQCKOKRGMDC-RTWAWAEBSA-N 1 3 370.541 2.839 20 0 FFADHO CCN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000612977277 520251990 /nfs/dbraw/zinc/25/19/90/520251990.db2.gz MHJQXZJKWSDJFY-YSIASYRMSA-N 1 3 370.541 2.996 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000592474682 520405545 /nfs/dbraw/zinc/40/55/45/520405545.db2.gz HPDAAMYFFAHCDZ-RBUKOAKNSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000592474682 520405551 /nfs/dbraw/zinc/40/55/51/520405551.db2.gz HPDAAMYFFAHCDZ-RBUKOAKNSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592474683 520405652 /nfs/dbraw/zinc/40/56/52/520405652.db2.gz HPDAAMYFFAHCDZ-RTBURBONSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000592474683 520405658 /nfs/dbraw/zinc/40/56/58/520405658.db2.gz HPDAAMYFFAHCDZ-RTBURBONSA-N 1 3 356.514 2.577 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000604115777 520454658 /nfs/dbraw/zinc/45/46/58/520454658.db2.gz ASWWXZFITXYLMR-PMACEKPBSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCc2ccccc21 ZINC000604321975 520518499 /nfs/dbraw/zinc/51/84/99/520518499.db2.gz DUNIHGMVMIIZDV-PMACEKPBSA-N 1 3 357.542 2.981 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCc2ccccc21 ZINC000604321975 520518529 /nfs/dbraw/zinc/51/85/29/520518529.db2.gz DUNIHGMVMIIZDV-PMACEKPBSA-N 1 3 357.542 2.981 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000617503740 520537698 /nfs/dbraw/zinc/53/76/98/520537698.db2.gz XAUGGQGWMHTCCT-JCGIZDLHSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000617503740 520537705 /nfs/dbraw/zinc/53/77/05/520537705.db2.gz XAUGGQGWMHTCCT-JCGIZDLHSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000617503761 520538328 /nfs/dbraw/zinc/53/83/28/520538328.db2.gz YELJPRZAOCEIOA-BHYGNILZSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000617503761 520538336 /nfs/dbraw/zinc/53/83/36/520538336.db2.gz YELJPRZAOCEIOA-BHYGNILZSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)cc1Cl ZINC000617503240 520539560 /nfs/dbraw/zinc/53/95/60/520539560.db2.gz AMKYQJKCAOBCAG-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)cc1Cl ZINC000617503240 520539567 /nfs/dbraw/zinc/53/95/67/520539567.db2.gz AMKYQJKCAOBCAG-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504846 520542987 /nfs/dbraw/zinc/54/29/87/520542987.db2.gz MUPRMASITIUZCE-AWEZNQCLSA-N 1 3 354.564 2.652 20 0 FFADHO Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504846 520542996 /nfs/dbraw/zinc/54/29/96/520542996.db2.gz MUPRMASITIUZCE-AWEZNQCLSA-N 1 3 354.564 2.652 20 0 FFADHO CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000617551487 520575673 /nfs/dbraw/zinc/57/56/73/520575673.db2.gz SGXWOIXMLBEEDT-QZTJIDSGSA-N 1 3 365.468 2.696 20 0 FFADHO CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000617551487 520575677 /nfs/dbraw/zinc/57/56/77/520575677.db2.gz SGXWOIXMLBEEDT-QZTJIDSGSA-N 1 3 365.468 2.696 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592953919 520659412 /nfs/dbraw/zinc/65/94/12/520659412.db2.gz HCJXJOINNWNJHB-PKOBYXMFSA-N 1 3 369.513 2.532 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)N1CCc2ccccc2C1 ZINC000601244067 520704839 /nfs/dbraw/zinc/70/48/39/520704839.db2.gz GKCORHRWOCRNMR-NHCUHLMSSA-N 1 3 372.557 2.995 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000601270728 520717183 /nfs/dbraw/zinc/71/71/83/520717183.db2.gz CJGRPQHJWPLLNN-MISYRCLQSA-N 1 3 358.530 2.994 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000595900717 520805622 /nfs/dbraw/zinc/80/56/22/520805622.db2.gz JARZUDBTKYTHOJ-SFHVURJKSA-N 1 3 372.513 2.663 20 0 FFADHO C[C@H](CN1CCC[C@@H](c2cc[nH]n2)C1)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000605575949 520919754 /nfs/dbraw/zinc/91/97/54/520919754.db2.gz RFBCOONKCMNVBE-NNZMDNLPSA-N 1 3 356.518 2.828 20 0 FFADHO C[C@H](CN1CCC[C@@H](c2cc[nH]n2)C1)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000605575949 520919766 /nfs/dbraw/zinc/91/97/66/520919766.db2.gz RFBCOONKCMNVBE-NNZMDNLPSA-N 1 3 356.518 2.828 20 0 FFADHO C[C@@H](CN1CCC[C@H](c2cc[nH]n2)C1)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000605575949 520919770 /nfs/dbraw/zinc/91/97/70/520919770.db2.gz RFBCOONKCMNVBE-NNZMDNLPSA-N 1 3 356.518 2.828 20 0 FFADHO C[C@@H](CN1CCC[C@H](c2cc[nH]n2)C1)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000605575949 520919782 /nfs/dbraw/zinc/91/97/82/520919782.db2.gz RFBCOONKCMNVBE-NNZMDNLPSA-N 1 3 356.518 2.828 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601973624 521048305 /nfs/dbraw/zinc/04/83/05/521048305.db2.gz RXKBECIKDIFIMK-PBHICJAKSA-N 1 3 361.486 2.558 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606683177 521134321 /nfs/dbraw/zinc/13/43/21/521134321.db2.gz NDYSRZKGSVWAHL-HDICACEKSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606683177 521134332 /nfs/dbraw/zinc/13/43/32/521134332.db2.gz NDYSRZKGSVWAHL-HDICACEKSA-N 1 3 350.551 2.909 20 0 FFADHO COC(=O)[C@@](C)(O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596594442 521152546 /nfs/dbraw/zinc/15/25/46/521152546.db2.gz VAFJROHYVDERSW-UGKGYDQZSA-N 1 3 374.525 2.533 20 0 FFADHO COC(=O)[C@@](C)(O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596594442 521152560 /nfs/dbraw/zinc/15/25/60/521152560.db2.gz VAFJROHYVDERSW-UGKGYDQZSA-N 1 3 374.525 2.533 20 0 FFADHO COC(=O)c1[nH]c(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1C ZINC000602547842 521405523 /nfs/dbraw/zinc/40/55/23/521405523.db2.gz SDVMUJHGOBSDOO-UHFFFAOYSA-N 1 3 371.481 2.874 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000594291720 521540737 /nfs/dbraw/zinc/54/07/37/521540737.db2.gz PKVRUVRGPJPTCY-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594316845 521553927 /nfs/dbraw/zinc/55/39/27/521553927.db2.gz BWOPFURAWOKBBO-CEXWTWQISA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000594316897 521554139 /nfs/dbraw/zinc/55/41/39/521554139.db2.gz HSCXZADDJOYUGP-OTWHNJEPSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000615853127 521558301 /nfs/dbraw/zinc/55/83/01/521558301.db2.gz GWGVCVWROLSEPU-RTWAWAEBSA-N 1 3 374.573 2.969 20 0 FFADHO COC(=O)c1oc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C ZINC000597190347 521565864 /nfs/dbraw/zinc/56/58/64/521565864.db2.gz CUOINZKFTJZJJL-UHFFFAOYSA-N 1 3 357.454 2.771 20 0 FFADHO O=S1(=O)CCC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000634950835 521829549 /nfs/dbraw/zinc/82/95/49/521829549.db2.gz FCUROXPHDOGYOJ-IBGZPJMESA-N 1 3 350.528 2.729 20 0 FFADHO CC1CC[NH+](Cc2cccc(CN[C@H]3CCCS(=O)(=O)CC3)c2)CC1 ZINC000634959949 521836826 /nfs/dbraw/zinc/83/68/26/521836826.db2.gz FVIHWYNTCVUSOD-FQEVSTJZSA-N 1 3 364.555 2.975 20 0 FFADHO CCc1ccccc1NC(=O)C[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009975 521864365 /nfs/dbraw/zinc/86/43/65/521864365.db2.gz PKUSKKPQLQQFOX-MRXNPFEDSA-N 1 3 367.497 2.883 20 0 FFADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000635011347 521864715 /nfs/dbraw/zinc/86/47/15/521864715.db2.gz DWMLDHHLQOGHBN-DQEVTTJGSA-N 1 3 350.528 2.704 20 0 FFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000635010550 521865187 /nfs/dbraw/zinc/86/51/87/521865187.db2.gz TVXLPGVZARKKDI-HNNXBMFYSA-N 1 3 354.454 2.826 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000623616616 522164221 /nfs/dbraw/zinc/16/42/21/522164221.db2.gz UVSOWHQYXGPPOO-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000623616616 522164226 /nfs/dbraw/zinc/16/42/26/522164226.db2.gz UVSOWHQYXGPPOO-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO [NH3+]CCCOCCN[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000629536749 522301625 /nfs/dbraw/zinc/30/16/25/522301625.db2.gz HXXMHORDCBBIEC-HOTGVXAUSA-N 1 3 357.292 2.624 20 0 FFADHO Cc1ccc(NC(=O)C2(CNC[C@@H](O)C[NH+]3CCCC3)CCCC2)cc1C ZINC000629564991 522319819 /nfs/dbraw/zinc/31/98/19/522319819.db2.gz NOBDDWOKTVPVIS-HXUWFJFHSA-N 1 3 373.541 2.849 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000623906572 522358505 /nfs/dbraw/zinc/35/85/05/522358505.db2.gz ZXRPXFUQFSIIFP-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000623906572 522358514 /nfs/dbraw/zinc/35/85/14/522358514.db2.gz ZXRPXFUQFSIIFP-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000632952092 522422902 /nfs/dbraw/zinc/42/29/02/522422902.db2.gz DTVJIYAAXFUJKZ-OCCSQVGLSA-N 1 3 366.893 2.766 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000620816674 522467321 /nfs/dbraw/zinc/46/73/21/522467321.db2.gz SAQJHEZMHACTDQ-RTWAWAEBSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000620816674 522467328 /nfs/dbraw/zinc/46/73/28/522467328.db2.gz SAQJHEZMHACTDQ-RTWAWAEBSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)C2 ZINC000626979390 522569064 /nfs/dbraw/zinc/56/90/64/522569064.db2.gz YJFBDEUIQDEXBL-FCEUIQTBSA-N 1 3 370.541 2.855 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627014521 522592161 /nfs/dbraw/zinc/59/21/61/522592161.db2.gz CFQLDIOLTMBMPS-RBUKOAKNSA-N 1 3 358.530 2.727 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000630038663 522598492 /nfs/dbraw/zinc/59/84/92/522598492.db2.gz FGTCLGGVUDZQDV-DUXKGJEZSA-N 1 3 352.563 2.875 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000630038663 522598500 /nfs/dbraw/zinc/59/85/00/522598500.db2.gz FGTCLGGVUDZQDV-DUXKGJEZSA-N 1 3 352.563 2.875 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000627129200 522666869 /nfs/dbraw/zinc/66/68/69/522666869.db2.gz UOKSGNHQCGEQBQ-CVEARBPZSA-N 1 3 350.894 2.527 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000633349078 522689083 /nfs/dbraw/zinc/68/90/83/522689083.db2.gz XVLRYFVCLMLRQJ-QGZVFWFLSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000634260589 523281867 /nfs/dbraw/zinc/28/18/67/523281867.db2.gz UMCZPHLZGHCWPK-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000637014845 523366429 /nfs/dbraw/zinc/36/64/29/523366429.db2.gz JFANXKMLELFTOI-YSIASYRMSA-N 1 3 358.530 2.996 20 0 FFADHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1OC1CC1 ZINC000628277733 523457965 /nfs/dbraw/zinc/45/79/65/523457965.db2.gz GGWIMCFLIMMZBI-UHFFFAOYSA-N 1 3 361.530 2.694 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc4ccccc4o3)CC2)CC1 ZINC000622791879 523475551 /nfs/dbraw/zinc/47/55/51/523475551.db2.gz FNEMGQAHQVCLLT-UHFFFAOYSA-N 1 3 355.482 2.650 20 0 FFADHO CN(c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)C1CCN(C)CC1 ZINC000628461053 523560444 /nfs/dbraw/zinc/56/04/44/523560444.db2.gz GVKMWHHSIGQPMN-SIKLNZKXSA-N 1 3 357.542 2.811 20 0 FFADHO CN(c1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)C1CCN(C)CC1 ZINC000628461053 523560454 /nfs/dbraw/zinc/56/04/54/523560454.db2.gz GVKMWHHSIGQPMN-SIKLNZKXSA-N 1 3 357.542 2.811 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[NH2+]C34CCC4)c(C)c2)CC1 ZINC000625835850 523710147 /nfs/dbraw/zinc/71/01/47/523710147.db2.gz WWGLYHYSKJTWPU-IBGZPJMESA-N 1 3 371.529 2.543 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[NH2+]1 ZINC000625869286 523728479 /nfs/dbraw/zinc/72/84/79/523728479.db2.gz FTZCFFHPYPOXTP-SJLPKXTDSA-N 1 3 360.502 2.813 20 0 FFADHO Cc1cc2[nH]ccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164771738 721149698 /nfs/dbraw/zinc/14/96/98/721149698.db2.gz SUFKBWMQIUWXFU-DLBZAZTESA-N 1 3 350.470 2.563 20 0 FFADHO CN(C)Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910386 721559721 /nfs/dbraw/zinc/55/97/21/721559721.db2.gz WPUPEQCJRVNFJF-QUCCMNQESA-N 1 3 370.472 2.624 20 0 FFADHO CN(C)Cc1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910386 721559724 /nfs/dbraw/zinc/55/97/24/721559724.db2.gz WPUPEQCJRVNFJF-QUCCMNQESA-N 1 3 370.472 2.624 20 0 FFADHO c1cc2c[nH+]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc2[nH]1 ZINC001164976422 722103687 /nfs/dbraw/zinc/10/36/87/722103687.db2.gz CXXHOQBBRBDYFM-QUCCMNQESA-N 1 3 363.465 2.685 20 0 FFADHO O[C@@H](C[NH2+][C@H]1CCCc2ncc(Br)cc21)CN1CCCCC1 ZINC000924756919 738444474 /nfs/dbraw/zinc/44/44/74/738444474.db2.gz NONVMRZJXJQSSF-YOEHRIQHSA-N 1 3 368.319 2.658 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000862268663 730683963 /nfs/dbraw/zinc/68/39/63/730683963.db2.gz MXIRPBOOVXTORT-ZFWWWQNUSA-N 1 3 359.461 2.705 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000647908979 730772579 /nfs/dbraw/zinc/77/25/79/730772579.db2.gz CPTMUHFAIPIVFM-UHFFFAOYSA-N 1 3 359.283 2.913 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647936323 730775802 /nfs/dbraw/zinc/77/58/02/730775802.db2.gz BKYLLKXLZQEIMG-DOMZBBRYSA-N 1 3 354.292 2.837 20 0 FFADHO COCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000650086559 730954978 /nfs/dbraw/zinc/95/49/78/730954978.db2.gz BKMFQWKZBHDFLM-DLBZAZTESA-N 1 3 360.420 2.829 20 0 FFADHO CC(C)N(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CCCC1 ZINC000652362455 731187713 /nfs/dbraw/zinc/18/77/13/731187713.db2.gz HSLDQIQMFMKKOF-BHIYHBOVSA-N 1 3 351.535 2.527 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000654665506 731382047 /nfs/dbraw/zinc/38/20/47/731382047.db2.gz LKQOSLXMBMVDCZ-XOKHGSTOSA-N 1 3 352.910 2.582 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925834299 738534597 /nfs/dbraw/zinc/53/45/97/738534597.db2.gz MQASEHWBWVTJIQ-KZNAEPCWSA-N 1 3 350.528 2.533 20 0 FFADHO COc1cc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1SC ZINC000925855352 738537793 /nfs/dbraw/zinc/53/77/93/738537793.db2.gz PCUNAUOURXTFMF-HIFRSBDPSA-N 1 3 364.511 2.753 20 0 FFADHO COc1cc(Br)c(CN[C@H](C)C2CC[NH2+]CC2)c(OC)c1 ZINC000873219891 731892500 /nfs/dbraw/zinc/89/25/00/731892500.db2.gz ASWIVAQVOZWCAV-LLVKDONJSA-N 1 3 357.292 2.944 20 0 FFADHO C[C@@H]1CN(CCc2nsc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660153754 732073465 /nfs/dbraw/zinc/07/34/65/732073465.db2.gz HNEKDHJATICYKS-APWZRJJASA-N 1 3 358.555 2.797 20 0 FFADHO C[C@@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000660153754 732073470 /nfs/dbraw/zinc/07/34/70/732073470.db2.gz HNEKDHJATICYKS-APWZRJJASA-N 1 3 358.555 2.797 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2nsc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000660153754 732073474 /nfs/dbraw/zinc/07/34/74/732073474.db2.gz HNEKDHJATICYKS-APWZRJJASA-N 1 3 358.555 2.797 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000876723893 732272790 /nfs/dbraw/zinc/27/27/90/732272790.db2.gz ZODWRVZIYIASHB-ZIAGYGMSSA-N 1 3 364.559 2.769 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000876730284 732273597 /nfs/dbraw/zinc/27/35/97/732273597.db2.gz FHPQDLRZBZKKII-MRXNPFEDSA-N 1 3 362.543 2.619 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000876736411 732274459 /nfs/dbraw/zinc/27/44/59/732274459.db2.gz KXHBCLDQAVDLIX-UONOGXRCSA-N 1 3 364.559 2.769 20 0 FFADHO FC(F)(F)c1csc([C@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662278901 732292204 /nfs/dbraw/zinc/29/22/04/732292204.db2.gz NQVPJALQFFVRTL-NWDGAFQWSA-N 1 3 361.433 2.862 20 0 FFADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292968 732293558 /nfs/dbraw/zinc/29/35/58/732293558.db2.gz PSIIGWUQZAXWGH-RDJZCZTQSA-N 1 3 361.555 2.733 20 0 FFADHO CN(CC(C)(C)[NH3+])C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000662841828 732361564 /nfs/dbraw/zinc/36/15/64/732361564.db2.gz CANKGGDRUDRIOV-KRWDZBQOSA-N 1 3 357.420 2.637 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000663443811 732441796 /nfs/dbraw/zinc/44/17/96/732441796.db2.gz RLACNJSNNYMAEL-GJZGRUSLSA-N 1 3 354.926 2.972 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000663443811 732441799 /nfs/dbraw/zinc/44/17/99/732441799.db2.gz RLACNJSNNYMAEL-GJZGRUSLSA-N 1 3 354.926 2.972 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000663620655 732468001 /nfs/dbraw/zinc/46/80/01/732468001.db2.gz PRNRWMRZAXAXRO-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000663620655 732468004 /nfs/dbraw/zinc/46/80/04/732468004.db2.gz PRNRWMRZAXAXRO-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCN(C)C1 ZINC000663875080 732507721 /nfs/dbraw/zinc/50/77/21/732507721.db2.gz QTEKQWZQEHHYJC-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCN(C)C1 ZINC000663875080 732507723 /nfs/dbraw/zinc/50/77/23/732507723.db2.gz QTEKQWZQEHHYJC-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO C[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccccc2)c2cccs2)CC1 ZINC000878410335 732528202 /nfs/dbraw/zinc/52/82/02/732528202.db2.gz ZIPSUXJYWCHASG-SFHVURJKSA-N 1 3 357.523 2.832 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664629226 732609819 /nfs/dbraw/zinc/60/98/19/732609819.db2.gz JTLLZQMSEULVOG-JZXOWHBKSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664629226 732609821 /nfs/dbraw/zinc/60/98/21/732609821.db2.gz JTLLZQMSEULVOG-JZXOWHBKSA-N 1 3 350.551 2.811 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000664971463 732654678 /nfs/dbraw/zinc/65/46/78/732654678.db2.gz RILXAQVYDSHZRC-WMLDXEAASA-N 1 3 352.548 2.651 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000665763679 732752905 /nfs/dbraw/zinc/75/29/05/732752905.db2.gz IVWNQHXERGKYEO-ZNMIVQPWSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000665763679 732752908 /nfs/dbraw/zinc/75/29/08/732752908.db2.gz IVWNQHXERGKYEO-ZNMIVQPWSA-N 1 3 366.472 2.631 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000666989594 732927402 /nfs/dbraw/zinc/92/74/02/732927402.db2.gz FMGRGYKAAAGAPF-QGZVFWFLSA-N 1 3 362.543 2.542 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccccn4)s3)CC2)C1 ZINC000667054049 732937350 /nfs/dbraw/zinc/93/73/50/732937350.db2.gz BNTLLGSBVUWYFH-YJBOKZPZSA-N 1 3 358.511 2.923 20 0 FFADHO C[C@H](NCC1(S(=O)(=O)NC(C)(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926849633 738661320 /nfs/dbraw/zinc/66/13/20/738661320.db2.gz FAHDZFWYQQVMMM-HNNXBMFYSA-N 1 3 367.559 2.649 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ncsc3C3CC3)CC2)CC1 ZINC000881032548 733005726 /nfs/dbraw/zinc/00/57/26/733005726.db2.gz KTXJZASMQHCMQG-UHFFFAOYSA-N 1 3 363.531 2.701 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(N)ccn2)[C@H]1c1cccs1 ZINC000891596883 734450081 /nfs/dbraw/zinc/45/00/81/734450081.db2.gz GDLYXZCEJIACQG-DYVFJYSZSA-N 1 3 359.499 2.608 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NCc2cc(N)ccn2)[C@H]1c1cccs1 ZINC000891596883 734450084 /nfs/dbraw/zinc/45/00/84/734450084.db2.gz GDLYXZCEJIACQG-DYVFJYSZSA-N 1 3 359.499 2.608 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000891894965 734490877 /nfs/dbraw/zinc/49/08/77/734490877.db2.gz YDCMXUILASHPOB-JQFCIGGWSA-N 1 3 352.910 2.759 20 0 FFADHO C[NH+]1CCC(O)(CNCc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000893039813 734641544 /nfs/dbraw/zinc/64/15/44/734641544.db2.gz AENXYHLWLDUBHX-UHFFFAOYSA-N 1 3 355.504 2.641 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@](C)(O)c2cccc(F)c2)[C@@H](C)C1 ZINC000903312571 736073818 /nfs/dbraw/zinc/07/38/18/736073818.db2.gz ZXINTGGBIZVDRA-FFZOFVMBSA-N 1 3 352.494 2.760 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@](C)(O)c2cccc(F)c2)[C@@H](C)C1 ZINC000903312571 736073824 /nfs/dbraw/zinc/07/38/24/736073824.db2.gz ZXINTGGBIZVDRA-FFZOFVMBSA-N 1 3 352.494 2.760 20 0 FFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C3(O)CCOCC3)CC2)CC1 ZINC000903349621 736078652 /nfs/dbraw/zinc/07/86/52/736078652.db2.gz JKYYUZOJSOCGNV-HKUYNNGSSA-N 1 3 350.547 2.941 20 0 FFADHO COc1ccccc1[C@@H]1CSCCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782190 736166236 /nfs/dbraw/zinc/16/62/36/736166236.db2.gz GSOALRFWGWMVSC-KPFFTGBYSA-N 1 3 362.539 2.944 20 0 FFADHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000903948987 736193807 /nfs/dbraw/zinc/19/38/07/736193807.db2.gz XIZWSKPGLZRIMI-ZDUSSCGKSA-N 1 3 357.420 2.727 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000906710598 736535894 /nfs/dbraw/zinc/53/58/94/736535894.db2.gz IXXNLRCZNFCATI-MSOLQXFVSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000906710598 736535895 /nfs/dbraw/zinc/53/58/95/736535895.db2.gz IXXNLRCZNFCATI-MSOLQXFVSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760481855 736643185 /nfs/dbraw/zinc/64/31/85/736643185.db2.gz GHNCMQUJEMLVMS-UHFFFAOYSA-N 1 3 362.587 2.575 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000916011044 737671383 /nfs/dbraw/zinc/67/13/83/737671383.db2.gz BJEPMZZCHOLZQZ-MOPGFXCFSA-N 1 3 360.571 2.599 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000916011044 737671388 /nfs/dbraw/zinc/67/13/88/737671388.db2.gz BJEPMZZCHOLZQZ-MOPGFXCFSA-N 1 3 360.571 2.599 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3F)C2)[C@@H]1C(C)C ZINC000922395695 738137427 /nfs/dbraw/zinc/13/74/27/738137427.db2.gz YPNUGCTZQIFEIV-YSTOQKLRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3F)C2)[C@@H]1C(C)C ZINC000922395695 738137428 /nfs/dbraw/zinc/13/74/28/738137428.db2.gz YPNUGCTZQIFEIV-YSTOQKLRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(Cl)c3N)C2)[C@@H]1C(C)C ZINC000922395247 738137509 /nfs/dbraw/zinc/13/75/09/738137509.db2.gz RQMRRESDNZYFLG-ZAWLATJESA-N 1 3 351.922 2.882 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(Cl)c3N)C2)[C@@H]1C(C)C ZINC000922395247 738137510 /nfs/dbraw/zinc/13/75/10/738137510.db2.gz RQMRRESDNZYFLG-ZAWLATJESA-N 1 3 351.922 2.882 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@@H](O)c1ccc(Cl)cc1Cl)CC2 ZINC000923446120 738284883 /nfs/dbraw/zinc/28/48/83/738284883.db2.gz ZYRTYLWEIUBSGW-XJKSGUPXSA-N 1 3 359.297 2.857 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000796295845 740128422 /nfs/dbraw/zinc/12/84/22/740128422.db2.gz BQLQVUZJABVRKU-AWEZNQCLSA-N 1 3 371.312 2.968 20 0 FFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000796295845 740128424 /nfs/dbraw/zinc/12/84/24/740128424.db2.gz BQLQVUZJABVRKU-AWEZNQCLSA-N 1 3 371.312 2.968 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000806495425 741064932 /nfs/dbraw/zinc/06/49/32/741064932.db2.gz GOMAQNUUABKKQH-GVDBMIGSSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC000983705061 741252089 /nfs/dbraw/zinc/25/20/89/741252089.db2.gz RXZHZFIUERYHGY-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC000983705061 741252093 /nfs/dbraw/zinc/25/20/93/741252093.db2.gz RXZHZFIUERYHGY-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000819010573 742324814 /nfs/dbraw/zinc/32/48/14/742324814.db2.gz DOJSZBWVAFBKGJ-GOSISDBHSA-N 1 3 350.409 2.728 20 0 FFADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000819060358 742332334 /nfs/dbraw/zinc/33/23/34/742332334.db2.gz HFVMSPBXZLFGCK-MAUKXSAKSA-N 1 3 356.869 2.746 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000823818729 742984036 /nfs/dbraw/zinc/98/40/36/742984036.db2.gz QJRYDSMUYLVAOF-UWVAXJGDSA-N 1 3 351.535 2.953 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000827739398 744969100 /nfs/dbraw/zinc/96/91/00/744969100.db2.gz YBOHYJDNJYCDGF-MRXNPFEDSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000827739398 744969102 /nfs/dbraw/zinc/96/91/02/744969102.db2.gz YBOHYJDNJYCDGF-MRXNPFEDSA-N 1 3 352.910 2.814 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CCN(CCC(F)(F)F)C3)C2)CC[N@@H+]1C ZINC001054134781 745003302 /nfs/dbraw/zinc/00/33/02/745003302.db2.gz NFNZPOCUTXEPOA-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CCN(CCC(F)(F)F)C3)C2)CC[N@H+]1C ZINC001054134781 745003308 /nfs/dbraw/zinc/00/33/08/745003308.db2.gz NFNZPOCUTXEPOA-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000831095132 745479705 /nfs/dbraw/zinc/47/97/05/745479705.db2.gz WKXMDDFTIRMHDO-OWCLPIDISA-N 1 3 350.894 2.519 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000831095132 745479710 /nfs/dbraw/zinc/47/97/10/745479710.db2.gz WKXMDDFTIRMHDO-OWCLPIDISA-N 1 3 350.894 2.519 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(Cl)n1 ZINC000841852949 747476159 /nfs/dbraw/zinc/47/61/59/747476159.db2.gz UKKCIQADMZHJTF-HLLBOEOZSA-N 1 3 364.921 2.672 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc(Cl)n1 ZINC000842515153 747624239 /nfs/dbraw/zinc/62/42/39/747624239.db2.gz UTKPEVDPBSCDHM-QAPCUYQASA-N 1 3 364.921 2.670 20 0 FFADHO [NH3+]CCCCCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000843037393 747753097 /nfs/dbraw/zinc/75/30/97/747753097.db2.gz CHOMTWSDBLVVLK-UHFFFAOYSA-N 1 3 364.559 2.919 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846781109 748543741 /nfs/dbraw/zinc/54/37/41/748543741.db2.gz UBCWUPWJWGERTD-IRXDYDNUSA-N 1 3 355.320 2.769 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846781109 748543745 /nfs/dbraw/zinc/54/37/45/748543745.db2.gz UBCWUPWJWGERTD-IRXDYDNUSA-N 1 3 355.320 2.769 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)ccc1Br ZINC000849071740 749045362 /nfs/dbraw/zinc/04/53/62/749045362.db2.gz DSBZZRJFALMHTG-CYBMUJFWSA-N 1 3 369.307 2.556 20 0 FFADHO ClC1(Cl)C[C@H]1CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763212 749948367 /nfs/dbraw/zinc/94/83/67/749948367.db2.gz LFADXVWHXVDRRK-ZIAGYGMSSA-N 1 3 372.344 2.583 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)COC)C1 ZINC001104803877 970860105 /nfs/dbraw/zinc/86/01/05/970860105.db2.gz ZZYPBSIVMPAFSN-CEXWTWQISA-N 1 3 355.567 2.608 20 0 FFADHO CC(C)OCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832680 970954466 /nfs/dbraw/zinc/95/44/66/970954466.db2.gz OCEKPOVZGRCSKV-WOJBJXKFSA-N 1 3 367.578 2.608 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001087908992 971070646 /nfs/dbraw/zinc/07/06/46/971070646.db2.gz UZWHPEYNEHQFQA-AWZFKBCTSA-N 1 3 353.510 2.574 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001087908992 971070651 /nfs/dbraw/zinc/07/06/51/971070651.db2.gz UZWHPEYNEHQFQA-AWZFKBCTSA-N 1 3 353.510 2.574 20 0 FFADHO C[C@H]1CN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC000896003488 971152103 /nfs/dbraw/zinc/15/21/03/971152103.db2.gz WZRGBVHAUHRRLW-YESZJQIVSA-N 1 3 360.502 2.895 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C(C)C)C[C@@H]3C2)c1 ZINC001087964594 971355761 /nfs/dbraw/zinc/35/57/61/971355761.db2.gz RTGNPLOUCHHIGI-QHAWAJNXSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C(C)C)C[C@@H]3C2)c1 ZINC001087964594 971355764 /nfs/dbraw/zinc/35/57/64/971355764.db2.gz RTGNPLOUCHHIGI-QHAWAJNXSA-N 1 3 370.541 2.543 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H](c3noc(C)n3)C2)CC1 ZINC000896239029 971370370 /nfs/dbraw/zinc/37/03/70/971370370.db2.gz ZUKNCYKQXGBFMW-LJQANCHMSA-N 1 3 369.513 2.900 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(F)c4)C[C@H]3C2)CC[N@@H+]1C ZINC001087972085 971412879 /nfs/dbraw/zinc/41/28/79/971412879.db2.gz LBXPHUWZEKEKJV-YXYSEUPNSA-N 1 3 373.516 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(F)c4)C[C@H]3C2)CC[N@H+]1C ZINC001087972085 971412886 /nfs/dbraw/zinc/41/28/86/971412886.db2.gz LBXPHUWZEKEKJV-YXYSEUPNSA-N 1 3 373.516 2.836 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001105067327 971445260 /nfs/dbraw/zinc/44/52/60/971445260.db2.gz XAQMJCPIJOLRJM-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000660229175 971512270 /nfs/dbraw/zinc/51/22/70/971512270.db2.gz JJBVDARPYQYYSP-IBGZPJMESA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCc1nnn(C(C)(C)C)n1 ZINC000660270552 971570710 /nfs/dbraw/zinc/57/07/10/971570710.db2.gz UMVKLWMMDAAJDT-YRWFTTLQSA-N 1 3 370.545 2.717 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCc1nnn(C(C)(C)C)n1 ZINC000660270552 971570719 /nfs/dbraw/zinc/57/07/19/971570719.db2.gz UMVKLWMMDAAJDT-YRWFTTLQSA-N 1 3 370.545 2.717 20 0 FFADHO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CCN(CCN(C)C)C3=O)CC2)o1 ZINC001275855122 1013100278 /nfs/dbraw/zinc/10/02/78/1013100278.db2.gz SAKVLPHBQHJDGF-KRWDZBQOSA-N 1 3 361.530 2.958 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999609 971777716 /nfs/dbraw/zinc/77/77/16/971777716.db2.gz UAHQHPZTSSNVOL-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999609 971777721 /nfs/dbraw/zinc/77/77/21/971777721.db2.gz UAHQHPZTSSNVOL-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087999548 971778088 /nfs/dbraw/zinc/77/80/88/971778088.db2.gz QKFJTRXCLODDPZ-PMPSAXMXSA-N 1 3 361.452 2.594 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087999548 971778091 /nfs/dbraw/zinc/77/80/91/971778091.db2.gz QKFJTRXCLODDPZ-PMPSAXMXSA-N 1 3 361.452 2.594 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C2)c1 ZINC001088002686 971791602 /nfs/dbraw/zinc/79/16/02/971791602.db2.gz OKYOGYATVDYNSU-HKBOAZHASA-N 1 3 357.542 2.862 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C2)c1 ZINC001088002686 971791608 /nfs/dbraw/zinc/79/16/08/971791608.db2.gz OKYOGYATVDYNSU-HKBOAZHASA-N 1 3 357.542 2.862 20 0 FFADHO O[C@@H](c1ccccc1)C1(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872214731 1013182283 /nfs/dbraw/zinc/18/22/83/1013182283.db2.gz CEXIFWKGQJAKPL-GMAHTHKFSA-N 1 3 366.505 2.727 20 0 FFADHO O[C@@H](c1ccccc1)C1(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872214731 1013182294 /nfs/dbraw/zinc/18/22/94/1013182294.db2.gz CEXIFWKGQJAKPL-GMAHTHKFSA-N 1 3 366.505 2.727 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3Cc3ccccc3)CC2)CC1 ZINC000654829941 958998967 /nfs/dbraw/zinc/99/89/67/958998967.db2.gz FRAJCYYWOIBRAL-IFMALSPDSA-N 1 3 369.553 2.930 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000660659312 972453470 /nfs/dbraw/zinc/45/34/70/972453470.db2.gz OBFHHMXPJFJTDH-SJLPKXTDSA-N 1 3 372.431 2.863 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000660659312 972453471 /nfs/dbraw/zinc/45/34/71/972453471.db2.gz OBFHHMXPJFJTDH-SJLPKXTDSA-N 1 3 372.431 2.863 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(C)c3OC)CC2)CC1 ZINC000655249427 960637281 /nfs/dbraw/zinc/63/72/81/960637281.db2.gz RHACPLRZXDVWOK-UHFFFAOYSA-N 1 3 373.541 2.816 20 0 FFADHO S=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000145619022 960705760 /nfs/dbraw/zinc/70/57/60/960705760.db2.gz UJPALLIMWDPLLI-GOSISDBHSA-N 1 3 372.582 2.599 20 0 FFADHO S=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000145619022 960705773 /nfs/dbraw/zinc/70/57/73/960705773.db2.gz UJPALLIMWDPLLI-GOSISDBHSA-N 1 3 372.582 2.599 20 0 FFADHO COc1cccc([C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N(C)C)c1 ZINC000655679699 961054908 /nfs/dbraw/zinc/05/49/08/961054908.db2.gz FHAHAOOPDMLOHG-LEWJYISDSA-N 1 3 361.530 2.531 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C3CCN([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655688398 961070512 /nfs/dbraw/zinc/07/05/12/961070512.db2.gz ZLSKMFRTKHZFHR-JOCHJYFZSA-N 1 3 357.542 2.536 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CN[C@H]2CCCn3ccnc32)CC1 ZINC000655692784 961088234 /nfs/dbraw/zinc/08/82/34/961088234.db2.gz UMWMWLAIMIIXJX-FQEVSTJZSA-N 1 3 353.514 2.645 20 0 FFADHO [NH3+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000647043815 961220153 /nfs/dbraw/zinc/22/01/53/961220153.db2.gz DQCQZOLXBPNXTR-FQEVSTJZSA-N 1 3 358.530 2.661 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(Cl)cc3F)CC2)C1=O ZINC001275994897 1013263905 /nfs/dbraw/zinc/26/39/05/1013263905.db2.gz WKSUQDAELYYIGZ-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001095424068 1013331394 /nfs/dbraw/zinc/33/13/94/1013331394.db2.gz DMYKYSKKPPFTPS-MLNNCEHLSA-N 1 3 367.537 2.867 20 0 FFADHO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000649370213 1013380585 /nfs/dbraw/zinc/38/05/85/1013380585.db2.gz HTVWZRKGAQYSCJ-HKUYNNGSSA-N 1 3 359.489 2.829 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCN2C)c(C)n1 ZINC001087135128 963079281 /nfs/dbraw/zinc/07/92/81/963079281.db2.gz RZLPSAHRYQLLBO-UIAACRFSSA-N 1 3 358.530 2.509 20 0 FFADHO Cc1ccc(Cl)c(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1F ZINC001276077645 1013409446 /nfs/dbraw/zinc/40/94/46/1013409446.db2.gz RWBZDIWWVNQBQZ-IBGZPJMESA-N 1 3 367.896 2.774 20 0 FFADHO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028445 963889027 /nfs/dbraw/zinc/88/90/27/963889027.db2.gz DQATWXNUNBUNCQ-SFHVURJKSA-N 1 3 373.541 2.807 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC2CCC2)C1 ZINC001104362693 964083851 /nfs/dbraw/zinc/08/38/51/964083851.db2.gz DYHNJAXMMHOUAD-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO C[NH+](C)CCOc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000656793632 964134770 /nfs/dbraw/zinc/13/47/70/964134770.db2.gz VMPCSRUISYYURM-OAQYLSRUSA-N 1 3 355.482 2.900 20 0 FFADHO CCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664502469 964542678 /nfs/dbraw/zinc/54/26/78/964542678.db2.gz HLOCCULNAFZNDA-PXNSSMCTSA-N 1 3 373.545 2.733 20 0 FFADHO CCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664502469 964542684 /nfs/dbraw/zinc/54/26/84/964542684.db2.gz HLOCCULNAFZNDA-PXNSSMCTSA-N 1 3 373.545 2.733 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)[C@H]1c1ccccc1 ZINC000891722915 964961466 /nfs/dbraw/zinc/96/14/66/964961466.db2.gz LRJOBDVVUKGPEL-UEXGIBASSA-N 1 3 358.530 2.838 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc3c2OCC3)CC1 ZINC000891787263 965081699 /nfs/dbraw/zinc/08/16/99/965081699.db2.gz SISKVSBAPJRVKW-UHFFFAOYSA-N 1 3 373.541 2.538 20 0 FFADHO O=C(c1ccco1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167965362 965222477 /nfs/dbraw/zinc/22/24/77/965222477.db2.gz CCXQEQDPLCIPGG-YQQQUEKLSA-N 1 3 357.498 2.879 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc3c2NCCC3)cc1 ZINC000894392293 965230139 /nfs/dbraw/zinc/23/01/39/965230139.db2.gz IPIJVZYYCLEHGY-UHFFFAOYSA-N 1 3 366.509 2.626 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638739436 965723595 /nfs/dbraw/zinc/72/35/95/965723595.db2.gz SATHFOXFKPGLMI-NGRWLJPCSA-N 1 3 373.585 2.968 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000892120263 966014621 /nfs/dbraw/zinc/01/46/21/966014621.db2.gz TXRVHNIASZTMAI-HXUWFJFHSA-N 1 3 358.530 2.781 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/c2ccccc2)C1 ZINC001112535810 966092818 /nfs/dbraw/zinc/09/28/18/966092818.db2.gz BPHVZNWUHKIHGF-QBWIZOSJSA-N 1 3 364.493 2.884 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000647978583 967197855 /nfs/dbraw/zinc/19/78/55/967197855.db2.gz VAPFSHZTPIDGCY-RTBURBONSA-N 1 3 355.526 2.894 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC001029313898 967692468 /nfs/dbraw/zinc/69/24/68/967692468.db2.gz RLSYQNXQMYTNPM-HSFUPAIVSA-N 1 3 369.500 2.827 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCCC(F)(F)C2)CC[N@H+]1C ZINC001029313898 967692478 /nfs/dbraw/zinc/69/24/78/967692478.db2.gz RLSYQNXQMYTNPM-HSFUPAIVSA-N 1 3 369.500 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCc2ccc(C)cc2)CC[N@@H+]1C ZINC001029315793 967703523 /nfs/dbraw/zinc/70/35/23/967703523.db2.gz WVKADXAOIBAXDK-LNRXMEIDSA-N 1 3 369.553 2.943 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCc2ccc(C)cc2)CC[N@H+]1C ZINC001029315793 967703534 /nfs/dbraw/zinc/70/35/34/967703534.db2.gz WVKADXAOIBAXDK-LNRXMEIDSA-N 1 3 369.553 2.943 20 0 FFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(F)c(F)c1 ZINC001267313944 967822363 /nfs/dbraw/zinc/82/23/63/967822363.db2.gz CBPLVEIPIDWBDX-GDBMZVCRSA-N 1 3 353.457 2.633 20 0 FFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(F)c(F)c1 ZINC001267313944 967822371 /nfs/dbraw/zinc/82/23/71/967822371.db2.gz CBPLVEIPIDWBDX-GDBMZVCRSA-N 1 3 353.457 2.633 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812098 967838278 /nfs/dbraw/zinc/83/82/78/967838278.db2.gz KAINQWXKHNDBGZ-UHFFFAOYSA-N 1 3 374.451 2.881 20 0 FFADHO Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2NC2CCN(Cc3ccccn3)CC2)c1 ZINC000665253413 967861484 /nfs/dbraw/zinc/86/14/84/967861484.db2.gz PRXRPGHATOFEQQ-VXKWHMMOSA-N 1 3 368.500 2.920 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001075810512 967995972 /nfs/dbraw/zinc/99/59/72/967995972.db2.gz IGYPOINCFQZJKW-QNYYSWIRSA-N 1 3 353.510 2.573 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001075810512 967995979 /nfs/dbraw/zinc/99/59/79/967995979.db2.gz IGYPOINCFQZJKW-QNYYSWIRSA-N 1 3 353.510 2.573 20 0 FFADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001087245801 968006390 /nfs/dbraw/zinc/00/63/90/968006390.db2.gz LJANVDMEZQPNSU-BEFAXECRSA-N 1 3 365.468 2.777 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2ccncc2s1 ZINC000658035156 968518978 /nfs/dbraw/zinc/51/89/78/968518978.db2.gz QNVBPRFAURNWDG-MRXNPFEDSA-N 1 3 374.554 2.744 20 0 FFADHO Fc1ccc([C@H](NCC2CC[NH+](C3CCOCC3)CC2)c2c[nH]nn2)cc1 ZINC000658071744 968528170 /nfs/dbraw/zinc/52/81/70/968528170.db2.gz YCAYEQWDVMNQNL-FQEVSTJZSA-N 1 3 373.476 2.514 20 0 FFADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000658146519 968551254 /nfs/dbraw/zinc/55/12/54/968551254.db2.gz VPCLHSCVTGPGCR-OXQOHEQNSA-N 1 3 368.477 2.875 20 0 FFADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000658146519 968551259 /nfs/dbraw/zinc/55/12/59/968551259.db2.gz VPCLHSCVTGPGCR-OXQOHEQNSA-N 1 3 368.477 2.875 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCC[C@H]1CCOC1 ZINC001087684581 968597793 /nfs/dbraw/zinc/59/77/93/968597793.db2.gz BTBLRFJFVNUXBP-GBESFXJTSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCC[C@H]1CCOC1 ZINC001087684581 968597798 /nfs/dbraw/zinc/59/77/98/968597798.db2.gz BTBLRFJFVNUXBP-GBESFXJTSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1C[C@@H](NCCN2C[C@@H]3CCCCN3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000658309218 968643741 /nfs/dbraw/zinc/64/37/41/968643741.db2.gz OIQDZMZCNNZCFE-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@@H](NCCN2C[C@@H]3CCCCN3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000658309218 968643749 /nfs/dbraw/zinc/64/37/49/968643749.db2.gz OIQDZMZCNNZCFE-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(C)nc1C ZINC001087711449 968730712 /nfs/dbraw/zinc/73/07/12/968730712.db2.gz DRTMVTFQMPGUFL-VQTJNVASSA-N 1 3 358.530 2.509 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892498742 969164956 /nfs/dbraw/zinc/16/49/56/969164956.db2.gz MGKMHDBIQBATLP-MRXNPFEDSA-N 1 3 362.518 2.664 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659035867 969653435 /nfs/dbraw/zinc/65/34/35/969653435.db2.gz OALWVGQRBMHHPH-LJQANCHMSA-N 1 3 360.502 2.591 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659043301 969660576 /nfs/dbraw/zinc/66/05/76/969660576.db2.gz OHLLLSUFBXDIME-LJQANCHMSA-N 1 3 360.502 2.687 20 0 FFADHO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647651370 969918926 /nfs/dbraw/zinc/91/89/26/969918926.db2.gz JNZJXBZBCXBBBB-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647651370 969918931 /nfs/dbraw/zinc/91/89/31/969918931.db2.gz JNZJXBZBCXBBBB-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC[C@@H]21 ZINC000874976270 1013939476 /nfs/dbraw/zinc/93/94/76/1013939476.db2.gz QWVJQSGRAPHNTD-HSALFYBXSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC[C@@H]21 ZINC000874976270 1013939481 /nfs/dbraw/zinc/93/94/81/1013939481.db2.gz QWVJQSGRAPHNTD-HSALFYBXSA-N 1 3 356.514 2.559 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(Cl)n2)C1)N(C)C ZINC001104691719 970111962 /nfs/dbraw/zinc/11/19/62/970111962.db2.gz SMYSRYHEDHXGRS-INMHGKMJSA-N 1 3 366.937 2.649 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)ccc2F)C1)N(C)C ZINC001104691822 970112179 /nfs/dbraw/zinc/11/21/79/970112179.db2.gz XJRMGHIWBKZGSX-CLCXKQKWSA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001104691837 970112229 /nfs/dbraw/zinc/11/22/29/970112229.db2.gz XWTXPEASTYIDEM-OLMNPRSZSA-N 1 3 351.560 2.971 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892790444 970294309 /nfs/dbraw/zinc/29/43/09/970294309.db2.gz GAKPOWFRRQCWRF-HXUWFJFHSA-N 1 3 358.530 2.608 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)O1 ZINC000313836280 970335257 /nfs/dbraw/zinc/33/52/57/970335257.db2.gz NMRJELVHBBGWPE-KRXUUXHPSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)O1 ZINC000313836280 970335245 /nfs/dbraw/zinc/33/52/45/970335245.db2.gz NMRJELVHBBGWPE-KRXUUXHPSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)O1 ZINC000313836280 970335268 /nfs/dbraw/zinc/33/52/68/970335268.db2.gz NMRJELVHBBGWPE-KRXUUXHPSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@@H](C)O1 ZINC000313836280 970335280 /nfs/dbraw/zinc/33/52/80/970335280.db2.gz NMRJELVHBBGWPE-KRXUUXHPSA-N 1 3 357.542 2.550 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H](C)c3cccc4c3OCO4)C2)[C@@H]1C(C)C ZINC000926877165 970424590 /nfs/dbraw/zinc/42/45/90/970424590.db2.gz AITDSDYZGAQLFB-HWKVVRSWSA-N 1 3 360.498 2.936 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H](C)c3cccc4c3OCO4)C2)[C@@H]1C(C)C ZINC000926877165 970424598 /nfs/dbraw/zinc/42/45/98/970424598.db2.gz AITDSDYZGAQLFB-HWKVVRSWSA-N 1 3 360.498 2.936 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc(Cl)n1 ZINC000825776787 1014006077 /nfs/dbraw/zinc/00/60/77/1014006077.db2.gz VTJATBAHEJGZQY-ZWKOTPCHSA-N 1 3 374.916 2.722 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c1 ZINC001088106242 972809120 /nfs/dbraw/zinc/80/91/20/972809120.db2.gz RSGIOBATPZYWLC-WTOYTKOKSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c1 ZINC001088106242 972809130 /nfs/dbraw/zinc/80/91/30/972809130.db2.gz RSGIOBATPZYWLC-WTOYTKOKSA-N 1 3 369.553 2.926 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1 ZINC001088106414 972809994 /nfs/dbraw/zinc/80/99/94/972809994.db2.gz ZBBGUTIRYZBQAJ-SXLOBPIMSA-N 1 3 359.558 2.831 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1 ZINC001088106414 972810006 /nfs/dbraw/zinc/81/00/06/972810006.db2.gz ZBBGUTIRYZBQAJ-SXLOBPIMSA-N 1 3 359.558 2.831 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001088130061 972978599 /nfs/dbraw/zinc/97/85/99/972978599.db2.gz UHZGMRUAJXVTAP-CYRIWFJWSA-N 1 3 353.938 2.784 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCc2ccccc2)C1 ZINC001112536710 973012131 /nfs/dbraw/zinc/01/21/31/973012131.db2.gz VUGACJWSQRUQBT-UGKGYDQZSA-N 1 3 366.509 2.803 20 0 FFADHO CN1CC[C@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC000660958579 973232704 /nfs/dbraw/zinc/23/27/04/973232704.db2.gz JJMZDAHWMJTZOU-SFTDATJTSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001151994011 1032081744 /nfs/dbraw/zinc/08/17/44/1032081744.db2.gz ZSXXQZNBRGSJQD-STZQEDGTSA-N 1 3 369.553 2.882 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001151994011 1032081759 /nfs/dbraw/zinc/08/17/59/1032081759.db2.gz ZSXXQZNBRGSJQD-STZQEDGTSA-N 1 3 369.553 2.882 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211773 973667332 /nfs/dbraw/zinc/66/73/32/973667332.db2.gz ZDUNGSFSVIMEFZ-RTWAWAEBSA-N 1 3 370.541 2.546 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(N2CCCC2)c1 ZINC000665639105 973786217 /nfs/dbraw/zinc/78/62/17/973786217.db2.gz MLWJKQJLCHZILG-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(N2CCCC2)c1 ZINC000665639105 973786228 /nfs/dbraw/zinc/78/62/28/973786228.db2.gz MLWJKQJLCHZILG-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO CC(C)Oc1ccc(CCNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757817 974155182 /nfs/dbraw/zinc/15/51/82/974155182.db2.gz LWTKUEGSKWBLRG-UHFFFAOYSA-N 1 3 373.541 2.550 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000047937350 974701155 /nfs/dbraw/zinc/70/11/55/974701155.db2.gz QZHCAGLSMHFCJA-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO Cc1nccn1CCCN1CC[N@@H+](CCCn2ccnc2C)[C@@H](C)[C@H]1C ZINC000662221534 975361318 /nfs/dbraw/zinc/36/13/18/975361318.db2.gz APWUFEGDIDCBAD-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1CC[N@H+](CCCn2ccnc2C)[C@@H](C)[C@H]1C ZINC000662221534 975361326 /nfs/dbraw/zinc/36/13/26/975361326.db2.gz APWUFEGDIDCBAD-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1CC[N@@H+](CCCn2ccnc2C)[C@H](C)[C@@H]1C ZINC000662221534 975361330 /nfs/dbraw/zinc/36/13/30/975361330.db2.gz APWUFEGDIDCBAD-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1CC[N@H+](CCCn2ccnc2C)[C@H](C)[C@@H]1C ZINC000662221534 975361337 /nfs/dbraw/zinc/36/13/37/975361337.db2.gz APWUFEGDIDCBAD-HDICACEKSA-N 1 3 358.534 2.571 20 0 FFADHO CC(C)(C)n1nnc(CCN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271586 975394148 /nfs/dbraw/zinc/39/41/48/975394148.db2.gz XLDBWMFEKIXVFY-RTBURBONSA-N 1 3 370.545 2.643 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297837 975410517 /nfs/dbraw/zinc/41/05/17/975410517.db2.gz SIKQEPIOLMBALU-FQEVSTJZSA-N 1 3 373.541 2.803 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000662297162 975412831 /nfs/dbraw/zinc/41/28/31/975412831.db2.gz NZTSREFDCCSQMG-UNMCSNQZSA-N 1 3 355.526 2.966 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[NH2+]C(C)C ZINC000662505508 975660908 /nfs/dbraw/zinc/66/09/08/975660908.db2.gz NBFOYVGZXCYYCS-GOSISDBHSA-N 1 3 355.486 2.575 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C[C@H](C)O1 ZINC000662687263 975825927 /nfs/dbraw/zinc/82/59/27/975825927.db2.gz FYJZXBVZLMLTCG-QKLQHJQFSA-N 1 3 373.541 2.684 20 0 FFADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000662683020 975829648 /nfs/dbraw/zinc/82/96/48/975829648.db2.gz MJUDWKQJMAZJIE-NRFANRHFSA-N 1 3 365.477 2.816 20 0 FFADHO CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663460111 975965490 /nfs/dbraw/zinc/96/54/90/975965490.db2.gz YBYCGQBRZIMRFB-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663460111 975965500 /nfs/dbraw/zinc/96/55/00/975965500.db2.gz YBYCGQBRZIMRFB-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO CCCn1c(CNC2CCN(C(=O)CCC[NH2+]C)CC2)nc2ccccc21 ZINC000663503794 976072121 /nfs/dbraw/zinc/07/21/21/976072121.db2.gz MKWFCAOUGJPVST-UHFFFAOYSA-N 1 3 371.529 2.527 20 0 FFADHO Cc1cc(C)c(CN2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)c1 ZINC000981194970 976337000 /nfs/dbraw/zinc/33/70/00/976337000.db2.gz XWOMAQLRMPYAMI-WOJBJXKFSA-N 1 3 357.542 2.986 20 0 FFADHO Cc1cc(C)c(CN2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)c1 ZINC000981194970 976337018 /nfs/dbraw/zinc/33/70/18/976337018.db2.gz XWOMAQLRMPYAMI-WOJBJXKFSA-N 1 3 357.542 2.986 20 0 FFADHO c1cc(CN2CCC(OC[C@H]3CCCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667687120 976740116 /nfs/dbraw/zinc/74/01/16/976740116.db2.gz AYVIWRCAWCZIKK-HXUWFJFHSA-N 1 3 356.470 2.817 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCc1ccccc1CN(C)C ZINC000876711637 1014360851 /nfs/dbraw/zinc/36/08/51/1014360851.db2.gz AFYZURKRQAOERQ-UHFFFAOYSA-N 1 3 372.538 2.910 20 0 FFADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667790804 977034581 /nfs/dbraw/zinc/03/45/81/977034581.db2.gz CDJQBWOXRGFVRM-HXUWFJFHSA-N 1 3 365.481 2.686 20 0 FFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793618 977039001 /nfs/dbraw/zinc/03/90/01/977039001.db2.gz GZBZCKANPUSWTG-YJBOKZPZSA-N 1 3 365.481 2.684 20 0 FFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793618 977039010 /nfs/dbraw/zinc/03/90/10/977039010.db2.gz GZBZCKANPUSWTG-YJBOKZPZSA-N 1 3 365.481 2.684 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000899562984 977238567 /nfs/dbraw/zinc/23/85/67/977238567.db2.gz OOFJOPNGXPALAT-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@H]1C[N@H+](Cc2cnc3c(F)cccc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000876782449 1014392251 /nfs/dbraw/zinc/39/22/51/1014392251.db2.gz RGLKSFLEQGVEPT-OXJNMPFZSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cnc3c(F)cccc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000876782449 1014392265 /nfs/dbraw/zinc/39/22/65/1014392265.db2.gz RGLKSFLEQGVEPT-OXJNMPFZSA-N 1 3 356.489 2.832 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000663846768 977512751 /nfs/dbraw/zinc/51/27/51/977512751.db2.gz KXNSPWXIHUFPGM-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000663846768 977512755 /nfs/dbraw/zinc/51/27/55/977512755.db2.gz KXNSPWXIHUFPGM-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)[C@H]1c1ccccc1 ZINC000893878395 977579946 /nfs/dbraw/zinc/57/99/46/977579946.db2.gz QPUVVIIZNAXUNZ-WOJBJXKFSA-N 1 3 356.514 2.748 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCC[NH+]2CCCCCC2)c(OC)c1 ZINC000126205362 977873048 /nfs/dbraw/zinc/87/30/48/977873048.db2.gz VQSMCNNTAVJRAA-INIZCTEOSA-N 1 3 363.502 2.887 20 0 FFADHO CCN(C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCN(C)C1 ZINC000664145960 978071307 /nfs/dbraw/zinc/07/13/07/978071307.db2.gz MSNCETUZSFHERQ-PXNSSMCTSA-N 1 3 358.530 2.948 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000333319554 978135491 /nfs/dbraw/zinc/13/54/91/978135491.db2.gz MTWPHSRACIDNCU-UHFFFAOYSA-N 1 3 372.513 2.898 20 0 FFADHO N[C@H](CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccccc1 ZINC000163274788 979094390 /nfs/dbraw/zinc/09/43/90/979094390.db2.gz GTLKDWJWPTZPPF-LJQANCHMSA-N 1 3 367.449 2.624 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@@H]4C)[C@@H]3C2)c(C)s1 ZINC001076241050 979258682 /nfs/dbraw/zinc/25/86/82/979258682.db2.gz ANDRYFSLDKTENS-UCLAIMLFSA-N 1 3 361.555 2.882 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@@H]4C)[C@@H]3C2)c(C)s1 ZINC001076241050 979258691 /nfs/dbraw/zinc/25/86/91/979258691.db2.gz ANDRYFSLDKTENS-UCLAIMLFSA-N 1 3 361.555 2.882 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CC4CCC(F)(F)CC4)C[C@H]32)C1 ZINC001076243933 979276924 /nfs/dbraw/zinc/27/69/24/979276924.db2.gz JJFRAMSZFITWHK-RYQLBKOJSA-N 1 3 369.500 2.686 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC4CCC(F)(F)CC4)C[C@H]32)C1 ZINC001076243933 979276931 /nfs/dbraw/zinc/27/69/31/979276931.db2.gz JJFRAMSZFITWHK-RYQLBKOJSA-N 1 3 369.500 2.686 20 0 FFADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC1 ZINC001076325011 979367766 /nfs/dbraw/zinc/36/77/66/979367766.db2.gz MEVJTNKZGGPXRY-MOWWVVRESA-N 1 3 367.537 2.964 20 0 FFADHO Cc1ncccc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968867012 1014603612 /nfs/dbraw/zinc/60/36/12/1014603612.db2.gz QAKUHHNFGLNYSK-YZGWKJHDSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ncccc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968867012 1014603622 /nfs/dbraw/zinc/60/36/22/1014603622.db2.gz QAKUHHNFGLNYSK-YZGWKJHDSA-N 1 3 358.530 2.591 20 0 FFADHO CN(C)Cc1cc(CNC(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1F ZINC000640561534 979831102 /nfs/dbraw/zinc/83/11/02/979831102.db2.gz FZIQJJKRMRARQM-UHFFFAOYSA-N 1 3 359.449 2.666 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212037 980223654 /nfs/dbraw/zinc/22/36/54/980223654.db2.gz JTJWLEQEUYWSJF-HUUCEWRRSA-N 1 3 351.457 2.742 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)CC1(O)CCCC1 ZINC000905379670 980431621 /nfs/dbraw/zinc/43/16/21/980431621.db2.gz DOXOOQMPWNTZBT-LEWJYISDSA-N 1 3 372.553 2.934 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654351512 1014671404 /nfs/dbraw/zinc/67/14/04/1014671404.db2.gz ISFUKNFZDPYCOW-AQNXPRMDSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654351512 1014671412 /nfs/dbraw/zinc/67/14/12/1014671412.db2.gz ISFUKNFZDPYCOW-AQNXPRMDSA-N 1 3 356.514 2.577 20 0 FFADHO OC1(C[NH2+]Cc2[nH]nc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000666456053 980891225 /nfs/dbraw/zinc/89/12/25/980891225.db2.gz DOWPKZMNVQQJAO-UHFFFAOYSA-N 1 3 350.466 2.680 20 0 FFADHO CC[C@@H]1CN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC[C@H]1[NH3+] ZINC000666676675 981206956 /nfs/dbraw/zinc/20/69/56/981206956.db2.gz UHHHQUCOGQGDIK-IEBWSBKVSA-N 1 3 373.545 2.728 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000666686432 981216528 /nfs/dbraw/zinc/21/65/28/981216528.db2.gz PORUAIJQAYECRE-CVEARBPZSA-N 1 3 372.538 2.673 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000666686432 981216532 /nfs/dbraw/zinc/21/65/32/981216532.db2.gz PORUAIJQAYECRE-CVEARBPZSA-N 1 3 372.538 2.673 20 0 FFADHO Cc1noc(C[C@H]2CCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC000897579252 982313348 /nfs/dbraw/zinc/31/33/48/982313348.db2.gz RWSJWOGYBBIJOJ-GOSISDBHSA-N 1 3 358.486 2.773 20 0 FFADHO C[NH+]1CCC(NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000878182271 1014904275 /nfs/dbraw/zinc/90/42/75/1014904275.db2.gz FILPNPADPFQWNX-SFTDATJTSA-N 1 3 373.541 2.565 20 0 FFADHO CN(CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000083037624 984047653 /nfs/dbraw/zinc/04/76/53/984047653.db2.gz ABCIMMOOINYIGL-IBGZPJMESA-N 1 3 352.482 2.937 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000878383969 1015019400 /nfs/dbraw/zinc/01/94/00/1015019400.db2.gz GIYCVDUYKCPGCF-CEWLAPEOSA-N 1 3 360.542 2.933 20 0 FFADHO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913426931 984263645 /nfs/dbraw/zinc/26/36/45/984263645.db2.gz GYCFJWHCESTKRX-UHFFFAOYSA-N 1 3 372.513 2.721 20 0 FFADHO c1ccc(O[C@@H]2CO[C@@]3(CC[N@@H+](C4CCN(CC5CC5)CC4)C3)C2)nc1 ZINC001168378432 984337346 /nfs/dbraw/zinc/33/73/46/984337346.db2.gz VGXMWJUNJXYXLG-FPOVZHCZSA-N 1 3 357.498 2.568 20 0 FFADHO c1ccc(O[C@@H]2CO[C@@]3(CC[N@H+](C4CCN(CC5CC5)CC4)C3)C2)nc1 ZINC001168378432 984337351 /nfs/dbraw/zinc/33/73/51/984337351.db2.gz VGXMWJUNJXYXLG-FPOVZHCZSA-N 1 3 357.498 2.568 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000651193223 1015036356 /nfs/dbraw/zinc/03/63/56/1015036356.db2.gz PRMZMSHJOXUOHN-FQEVSTJZSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000651193223 1015036365 /nfs/dbraw/zinc/03/63/65/1015036365.db2.gz PRMZMSHJOXUOHN-FQEVSTJZSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669405708 984535554 /nfs/dbraw/zinc/53/55/54/984535554.db2.gz PTWWDDQSPNMGLD-KKSFZXQISA-N 1 3 364.493 2.925 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2)C1CC1 ZINC001107438435 984538677 /nfs/dbraw/zinc/53/86/77/984538677.db2.gz APPUQADQIGNNPR-QWFCFKBJSA-N 1 3 361.555 2.949 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccsc1)CC2)C1CC1 ZINC001107438435 984538684 /nfs/dbraw/zinc/53/86/84/984538684.db2.gz APPUQADQIGNNPR-QWFCFKBJSA-N 1 3 361.555 2.949 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnccc1C)CC2)N(C)C ZINC001107451573 984555566 /nfs/dbraw/zinc/55/55/66/984555566.db2.gz XHIBYHPDDVUSLL-SFHLNBCPSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnccc1C)CC2)N(C)C ZINC001107451573 984555571 /nfs/dbraw/zinc/55/55/71/984555571.db2.gz XHIBYHPDDVUSLL-SFHLNBCPSA-N 1 3 358.530 2.591 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCOC)CC2 ZINC001107454754 984559010 /nfs/dbraw/zinc/55/90/10/984559010.db2.gz LTQJPXLYMBXDMO-WIYYLYMNSA-N 1 3 367.578 2.894 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCOC)CC2 ZINC001107454754 984559013 /nfs/dbraw/zinc/55/90/13/984559013.db2.gz LTQJPXLYMBXDMO-WIYYLYMNSA-N 1 3 367.578 2.894 20 0 FFADHO CC[C@H](C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12)OC ZINC001107454338 984559622 /nfs/dbraw/zinc/55/96/22/984559622.db2.gz BQVNZEITZXJAMA-MBOZVWFJSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12)OC ZINC001107454338 984559625 /nfs/dbraw/zinc/55/96/25/984559625.db2.gz BQVNZEITZXJAMA-MBOZVWFJSA-N 1 3 353.551 2.503 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1conc1C)CC2 ZINC001107454750 984559708 /nfs/dbraw/zinc/55/97/08/984559708.db2.gz LOIOFHFGMWDNID-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1conc1C)CC2 ZINC001107454750 984559709 /nfs/dbraw/zinc/55/97/09/984559709.db2.gz LOIOFHFGMWDNID-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000669474147 984631483 /nfs/dbraw/zinc/63/14/83/984631483.db2.gz HEPJDRFKOXWYOI-GIVPXCGWSA-N 1 3 372.557 2.928 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483823 984650680 /nfs/dbraw/zinc/65/06/80/984650680.db2.gz OHROWDIKUNFIED-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC)CC2 ZINC001107581701 984743271 /nfs/dbraw/zinc/74/32/71/984743271.db2.gz JELMCASJGYOZNJ-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC)CC2 ZINC001107581701 984743275 /nfs/dbraw/zinc/74/32/75/984743275.db2.gz JELMCASJGYOZNJ-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cnc(C)o1)CC2 ZINC001107615685 984829601 /nfs/dbraw/zinc/82/96/01/984829601.db2.gz IDIWSWPTGGWWDJ-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cnc(C)o1)CC2 ZINC001107615685 984829614 /nfs/dbraw/zinc/82/96/14/984829614.db2.gz IDIWSWPTGGWWDJ-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107615966 984832161 /nfs/dbraw/zinc/83/21/61/984832161.db2.gz NFEGYFUAKPLINA-TZIWHRDSSA-N 1 3 358.530 2.674 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107615966 984832182 /nfs/dbraw/zinc/83/21/82/984832182.db2.gz NFEGYFUAKPLINA-TZIWHRDSSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000669583525 984852958 /nfs/dbraw/zinc/85/29/58/984852958.db2.gz SDWIKFTXLNHOIW-DQLDELGASA-N 1 3 366.509 2.864 20 0 FFADHO O=C(CC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107644745 984911254 /nfs/dbraw/zinc/91/12/54/984911254.db2.gz GJVIECUSNCSYPA-LDHAIWNLSA-N 1 3 353.938 2.976 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccccc3OC3CC3)C2)CC[N@@H+]1C ZINC000999191506 986386385 /nfs/dbraw/zinc/38/63/85/986386385.db2.gz YSAGOBROUMWMLA-IMFGXOCKSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccccc3OC3CC3)C2)CC[N@H+]1C ZINC000999191506 986386392 /nfs/dbraw/zinc/38/63/92/986386392.db2.gz YSAGOBROUMWMLA-IMFGXOCKSA-N 1 3 371.525 2.649 20 0 FFADHO CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001112540467 986519394 /nfs/dbraw/zinc/51/93/94/986519394.db2.gz YJDYWBDQLKZABX-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(C(F)(F)F)cc3)CC2)CC[N@@H+]1C ZINC001483735571 987075593 /nfs/dbraw/zinc/07/55/93/987075593.db2.gz YIGFYQPNXRTRIR-CZUORRHYSA-N 1 3 369.431 2.784 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(C(F)(F)F)cc3)CC2)CC[N@H+]1C ZINC001483735571 987075602 /nfs/dbraw/zinc/07/56/02/987075602.db2.gz YIGFYQPNXRTRIR-CZUORRHYSA-N 1 3 369.431 2.784 20 0 FFADHO CC[C@H](CNC(=S)NC[C@H]1CCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000914704160 987864035 /nfs/dbraw/zinc/86/40/35/987864035.db2.gz PKAZTVPKQZLOMC-WOJBJXKFSA-N 1 3 374.598 2.772 20 0 FFADHO CC[C@H](CNC(=S)NC[C@H]1CCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000914704160 987864037 /nfs/dbraw/zinc/86/40/37/987864037.db2.gz PKAZTVPKQZLOMC-WOJBJXKFSA-N 1 3 374.598 2.772 20 0 FFADHO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc(CN2CCCCC2)ccn1 ZINC001168705992 987880254 /nfs/dbraw/zinc/88/02/54/987880254.db2.gz DPYGCMWQLCJCTJ-UHFFFAOYSA-N 1 3 362.481 2.816 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2C)[C@H](C)C1)N(C)C ZINC001106312726 987945337 /nfs/dbraw/zinc/94/53/37/987945337.db2.gz MSNCFSUGLHEREM-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCCC2CCOCC2)[C@H](C)C1)N(C)C ZINC001106313015 987945594 /nfs/dbraw/zinc/94/55/94/987945594.db2.gz SKGKAIGXMCGWIE-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2)[C@H](C)C1 ZINC001106340289 987983299 /nfs/dbraw/zinc/98/32/99/987983299.db2.gz RLZQRGHCSFLBHY-SJLPKXTDSA-N 1 3 361.530 2.610 20 0 FFADHO C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000765973819 988046006 /nfs/dbraw/zinc/04/60/06/988046006.db2.gz FUCFJXYWUGESTF-UZLBHIALSA-N 1 3 373.497 2.937 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1)[NH+](C)C ZINC001106633179 988537605 /nfs/dbraw/zinc/53/76/05/988537605.db2.gz BSIVMHQNQKBQPF-QGZZOQETSA-N 1 3 350.334 2.576 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(C)C)n2)[C@H](C)C1 ZINC001106779517 989027201 /nfs/dbraw/zinc/02/72/01/989027201.db2.gz QCHORYVZYRCBFG-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)[C@H](C)C1 ZINC001106779208 989033994 /nfs/dbraw/zinc/03/39/94/989033994.db2.gz HSFAMWXKIPIIIO-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)[C@H](C)C1 ZINC001106785048 989058087 /nfs/dbraw/zinc/05/80/87/989058087.db2.gz UZTRFDKVRFRBJN-JXXFODFXSA-N 1 3 361.505 2.839 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001106797635 989128754 /nfs/dbraw/zinc/12/87/54/989128754.db2.gz TVTDSRIZVOVTKE-WASJFJQPSA-N 1 3 362.345 2.721 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)N2CCCC2)cc1 ZINC000652142339 1015477399 /nfs/dbraw/zinc/47/73/99/1015477399.db2.gz OERDPEGWESTQEC-VWPQPMDRSA-N 1 3 370.541 2.902 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000652179566 1015489401 /nfs/dbraw/zinc/48/94/01/1015489401.db2.gz RQUQCDQTNWCJSI-DYESRHJHSA-N 1 3 366.509 2.726 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000675112363 990043523 /nfs/dbraw/zinc/04/35/23/990043523.db2.gz HRPYTXVBWAUHFQ-DFQSSKMNSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1)N(C)C ZINC001112413688 990382231 /nfs/dbraw/zinc/38/22/31/990382231.db2.gz ZZJFPSICPHCWRT-BJLQDIEVSA-N 1 3 355.542 2.931 20 0 FFADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000675820947 990390911 /nfs/dbraw/zinc/39/09/11/990390911.db2.gz AXFKVMSLGPQGHN-MJGOQNOKSA-N 1 3 359.514 2.694 20 0 FFADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000652424243 1015560755 /nfs/dbraw/zinc/56/07/55/1015560755.db2.gz WOAQEZVHJGNCQK-MOPGFXCFSA-N 1 3 372.557 2.880 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000920309664 990829908 /nfs/dbraw/zinc/82/99/08/990829908.db2.gz KFNOXYDGCHHJQR-PMACEKPBSA-N 1 3 372.582 2.742 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000920309664 990829911 /nfs/dbraw/zinc/82/99/11/990829911.db2.gz KFNOXYDGCHHJQR-PMACEKPBSA-N 1 3 372.582 2.742 20 0 FFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000923271286 991006390 /nfs/dbraw/zinc/00/63/90/991006390.db2.gz NRNUHYMXAUGAAS-VQTJNVASSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1CN(CC(=O)NCc2ccccc2OC2CCCC2)CC[C@@H]1C[NH3+] ZINC000923497183 991189836 /nfs/dbraw/zinc/18/98/36/991189836.db2.gz GLMIAZJRRQDCKX-IAGOWNOFSA-N 1 3 359.514 2.541 20 0 FFADHO N[C@H](CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1ccccc1 ZINC000237879150 991380202 /nfs/dbraw/zinc/38/02/02/991380202.db2.gz XFTDFTWWEGXMQS-LJQANCHMSA-N 1 3 367.449 2.624 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(C)C)n2)[C@H](C)C1 ZINC001106910257 991488718 /nfs/dbraw/zinc/48/87/18/991488718.db2.gz UVGSLXKTFMEETP-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000649354827 991609718 /nfs/dbraw/zinc/60/97/18/991609718.db2.gz PPBJEBOPBLZKJL-INIZCTEOSA-N 1 3 368.456 2.717 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000649354827 991609720 /nfs/dbraw/zinc/60/97/20/991609720.db2.gz PPBJEBOPBLZKJL-INIZCTEOSA-N 1 3 368.456 2.717 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C\Cl)CC2)CC[N@@H+]1C ZINC001484568221 991683403 /nfs/dbraw/zinc/68/34/03/991683403.db2.gz GOYJRDXVKPJWKU-UORSDWQUSA-N 1 3 362.345 2.910 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C\Cl)CC2)CC[N@H+]1C ZINC001484568221 991683405 /nfs/dbraw/zinc/68/34/05/991683405.db2.gz GOYJRDXVKPJWKU-UORSDWQUSA-N 1 3 362.345 2.910 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079201918 991876301 /nfs/dbraw/zinc/87/63/01/991876301.db2.gz JLXXHDDSTRVXFO-XUVXKRRUSA-N 1 3 361.505 2.993 20 0 FFADHO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001079495056 992161911 /nfs/dbraw/zinc/16/19/11/992161911.db2.gz WYTHPMIUCBOXFS-BHIYHBOVSA-N 1 3 359.514 2.505 20 0 FFADHO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001079495056 992161918 /nfs/dbraw/zinc/16/19/18/992161918.db2.gz WYTHPMIUCBOXFS-BHIYHBOVSA-N 1 3 359.514 2.505 20 0 FFADHO CC(C)Oc1ccccc1CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079495056 992161924 /nfs/dbraw/zinc/16/19/24/992161924.db2.gz WYTHPMIUCBOXFS-BHIYHBOVSA-N 1 3 359.514 2.505 20 0 FFADHO CC(C)Oc1ccccc1CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079495056 992161931 /nfs/dbraw/zinc/16/19/31/992161931.db2.gz WYTHPMIUCBOXFS-BHIYHBOVSA-N 1 3 359.514 2.505 20 0 FFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2CC(=O)N(C3CC3)C2)ccc1OC ZINC000183314845 992416938 /nfs/dbraw/zinc/41/69/38/992416938.db2.gz QSJWNXVFNHSWFP-QAPCUYQASA-N 1 3 359.514 2.951 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001079805335 992458900 /nfs/dbraw/zinc/45/89/00/992458900.db2.gz NJDKNKFGGJQVTA-QRQLOZEOSA-N 1 3 363.571 2.992 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001079805335 992458907 /nfs/dbraw/zinc/45/89/07/992458907.db2.gz NJDKNKFGGJQVTA-QRQLOZEOSA-N 1 3 363.571 2.992 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C ZINC001079806754 992460263 /nfs/dbraw/zinc/46/02/63/992460263.db2.gz WJAOHUFWVQZZGV-NRSPTQNISA-N 1 3 357.542 2.930 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC001079806754 992460269 /nfs/dbraw/zinc/46/02/69/992460269.db2.gz WJAOHUFWVQZZGV-NRSPTQNISA-N 1 3 357.542 2.930 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)n1 ZINC001107028350 993213622 /nfs/dbraw/zinc/21/36/22/993213622.db2.gz ZNVIKQRIGANFFS-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC001107036940 993291371 /nfs/dbraw/zinc/29/13/71/993291371.db2.gz UVTKCFASWNNYDC-SWLWZWPXSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC001107042224 993295572 /nfs/dbraw/zinc/29/55/72/993295572.db2.gz BHRGHBPIABCZQO-RBSFLKMASA-N 1 3 364.361 2.595 20 0 FFADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001131570492 994409745 /nfs/dbraw/zinc/40/97/45/994409745.db2.gz JQINYLSCUHHZMI-QYZOEREBSA-N 1 3 367.578 2.749 20 0 FFADHO C/C=C(\NC=[NH2+])NC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170596722 994690231 /nfs/dbraw/zinc/69/02/31/994690231.db2.gz XHYNKHACQBUDCV-CERIMRIVSA-N 1 3 352.482 2.697 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC001082512193 994761015 /nfs/dbraw/zinc/76/10/15/994761015.db2.gz QPNIXSMJYLWFEC-CEXWTWQISA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1sccc1Cl ZINC001082515435 994797358 /nfs/dbraw/zinc/79/73/58/994797358.db2.gz OFSSLYSRTHDJCD-IVMMDQJWSA-N 1 3 367.946 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1cccc(Cl)c1F ZINC001082520576 994812238 /nfs/dbraw/zinc/81/22/38/994812238.db2.gz FYYNHSSASKBSJU-GKLJAUDBSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1cccc(Cl)c1F ZINC001082520576 994812248 /nfs/dbraw/zinc/81/22/48/994812248.db2.gz FYYNHSSASKBSJU-GKLJAUDBSA-N 1 3 367.896 2.756 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cccc(C(C)C)n3)C2)CC[N@@H+]1C ZINC001082522633 994815262 /nfs/dbraw/zinc/81/52/62/994815262.db2.gz TYXZBTJBUBOGIY-XRULBBBTSA-N 1 3 372.557 2.872 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cccc(C(C)C)n3)C2)CC[N@H+]1C ZINC001082522633 994815271 /nfs/dbraw/zinc/81/52/71/994815271.db2.gz TYXZBTJBUBOGIY-XRULBBBTSA-N 1 3 372.557 2.872 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001082559785 994934410 /nfs/dbraw/zinc/93/44/10/994934410.db2.gz PJSKBJWYMFRSKG-LPTQZCDUSA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)Cc1ccccc1CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903460070 1015906460 /nfs/dbraw/zinc/90/64/60/1015906460.db2.gz WJWDFTNXXFTXCX-NHCUHLMSSA-N 1 3 370.541 2.605 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001082575168 994996186 /nfs/dbraw/zinc/99/61/86/994996186.db2.gz OSQAENSIOCHCLT-XPKDYRNWSA-N 1 3 357.951 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1)N(C)C ZINC001082589106 995001798 /nfs/dbraw/zinc/00/17/98/995001798.db2.gz IQPWDVAOTLIEHL-KBRIMQKVSA-N 1 3 371.447 2.982 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC001082740710 995394768 /nfs/dbraw/zinc/39/47/68/995394768.db2.gz DCBWRFCMEZMDFD-FUHIMQAGSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4ccccc4o3)C2)C1 ZINC001082741836 995398682 /nfs/dbraw/zinc/39/86/82/995398682.db2.gz DYAZYHISODTXFO-GPMSIDNRSA-N 1 3 355.482 2.711 20 0 FFADHO Cc1cc(C)c(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c(C)c1 ZINC001082741788 995398974 /nfs/dbraw/zinc/39/89/74/995398974.db2.gz CSTNZVYXZXHWCK-NYSBEXSLSA-N 1 3 357.542 2.890 20 0 FFADHO Cc1cc(C)c(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c(C)c1 ZINC001082741789 995399105 /nfs/dbraw/zinc/39/91/05/995399105.db2.gz CSTNZVYXZXHWCK-QFIXIFRTSA-N 1 3 357.542 2.890 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3cc(Cl)ccc3F)C2)C1 ZINC001082742210 995400491 /nfs/dbraw/zinc/40/04/91/995400491.db2.gz VZPZBYAMOXQDEM-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3cc(Cl)ccc3F)C2)C1 ZINC001082742210 995400493 /nfs/dbraw/zinc/40/04/93/995400493.db2.gz VZPZBYAMOXQDEM-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082782991 995489853 /nfs/dbraw/zinc/48/98/53/995489853.db2.gz VNDVZUVYHDAUMO-MISYRCLQSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082782991 995489857 /nfs/dbraw/zinc/48/98/57/995489857.db2.gz VNDVZUVYHDAUMO-MISYRCLQSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C)s1 ZINC001082835117 995614671 /nfs/dbraw/zinc/61/46/71/995614671.db2.gz HEGCCUQKCMIARI-RDTXWAMCSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1sccc1Cl ZINC001082861616 995666612 /nfs/dbraw/zinc/66/66/12/995666612.db2.gz IGEQQACDXMVBAL-UMVBOHGHSA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1sccc1Cl ZINC001082861616 995666615 /nfs/dbraw/zinc/66/66/15/995666615.db2.gz IGEQQACDXMVBAL-UMVBOHGHSA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001082942529 995878966 /nfs/dbraw/zinc/87/89/66/995878966.db2.gz IGIJUOOMIXTRBB-FOIQADDNSA-N 1 3 370.472 2.533 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084338308 996467812 /nfs/dbraw/zinc/46/78/12/996467812.db2.gz NDYNRIBEAKGLMR-NZSAHSFTSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084338308 996467816 /nfs/dbraw/zinc/46/78/16/996467816.db2.gz NDYNRIBEAKGLMR-NZSAHSFTSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3cccs3)C[C@H]21 ZINC001084338308 996467823 /nfs/dbraw/zinc/46/78/23/996467823.db2.gz NDYNRIBEAKGLMR-NZSAHSFTSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3cccs3)C[C@H]21 ZINC001084338308 996467826 /nfs/dbraw/zinc/46/78/26/996467826.db2.gz NDYNRIBEAKGLMR-NZSAHSFTSA-N 1 3 361.555 2.696 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001084388745 996531119 /nfs/dbraw/zinc/53/11/19/996531119.db2.gz CQZKIUREPQCGLI-QHAWAJNXSA-N 1 3 355.526 2.902 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001084388745 996531122 /nfs/dbraw/zinc/53/11/22/996531122.db2.gz CQZKIUREPQCGLI-QHAWAJNXSA-N 1 3 355.526 2.902 20 0 FFADHO O=C(N1C[C@H]2CCN(C[C@@H]3CCC(F)(F)C3)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484151 996603716 /nfs/dbraw/zinc/60/37/16/996603716.db2.gz GLAIIHYJMHDGRI-BRWVUGGUSA-N 1 3 367.484 2.583 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001084476233 996617306 /nfs/dbraw/zinc/61/73/06/996617306.db2.gz OXFSQTKKNMSGGW-KZNAEPCWSA-N 1 3 369.500 2.685 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001084476233 996617308 /nfs/dbraw/zinc/61/73/08/996617308.db2.gz OXFSQTKKNMSGGW-KZNAEPCWSA-N 1 3 369.500 2.685 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773473 997297638 /nfs/dbraw/zinc/29/76/38/997297638.db2.gz QWRILMCEAPGULB-DUXKGJEZSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773473 997297650 /nfs/dbraw/zinc/29/76/50/997297650.db2.gz QWRILMCEAPGULB-DUXKGJEZSA-N 1 3 355.526 2.624 20 0 FFADHO COc1ccc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1OC(F)F ZINC000903723244 1016154667 /nfs/dbraw/zinc/15/46/67/1016154667.db2.gz GKOZHCSEODEECT-OAHLLOKOSA-N 1 3 370.440 2.887 20 0 FFADHO O=C1[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CN1CN1CCC[C@@H]1C1CC1 ZINC000844691438 998062826 /nfs/dbraw/zinc/06/28/26/998062826.db2.gz MJETUAPMUNXPFN-PCCBWWKXSA-N 1 3 353.510 2.799 20 0 FFADHO O=C1[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CN1CN1CCC[C@@H]1C1CC1 ZINC000844691438 998062838 /nfs/dbraw/zinc/06/28/38/998062838.db2.gz MJETUAPMUNXPFN-PCCBWWKXSA-N 1 3 353.510 2.799 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085049947 998783414 /nfs/dbraw/zinc/78/34/14/998783414.db2.gz KXJBCDBWMKCSNZ-CTNGQTDRSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C3CCN(Cc4cccnc4)CC3)CC2)CC[N@@H+]1C ZINC001000152412 1016247877 /nfs/dbraw/zinc/24/78/77/1016247877.db2.gz DNTAVZFHPVTNOH-VQTJNVASSA-N 1 3 370.541 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C3CCN(Cc4cccnc4)CC3)CC2)CC[N@H+]1C ZINC001000152412 1016247883 /nfs/dbraw/zinc/24/78/83/1016247883.db2.gz DNTAVZFHPVTNOH-VQTJNVASSA-N 1 3 370.541 2.673 20 0 FFADHO O=C(N1CC[C@H]2CCN(C/C=C\c3ccccc3)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076196 998868251 /nfs/dbraw/zinc/86/82/51/998868251.db2.gz QKLVGZJXAPWUTJ-RMBIOTAASA-N 1 3 365.521 2.718 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](c3nc4ccccc4o3)C2)cnn1C ZINC000903879688 1016282461 /nfs/dbraw/zinc/28/24/61/1016282461.db2.gz HJUMUAXKSNXEEA-DLBZAZTESA-N 1 3 367.497 2.867 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1)N1CCCCC1 ZINC001085198457 999143678 /nfs/dbraw/zinc/14/36/78/999143678.db2.gz VRVWHSRAZLQIMJ-GUDVDZBRSA-N 1 3 365.562 2.837 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ns1 ZINC001085217444 999184599 /nfs/dbraw/zinc/18/45/99/999184599.db2.gz BMCDPYZVPKSKRP-KURKYZTESA-N 1 3 364.559 2.843 20 0 FFADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896997 1016294436 /nfs/dbraw/zinc/29/44/36/1016294436.db2.gz XJCDGYMOSYRPFD-PHSGOXPASA-N 1 3 357.498 2.937 20 0 FFADHO COc1ccccc1CC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903903024 1016297248 /nfs/dbraw/zinc/29/72/48/1016297248.db2.gz DMELHLZZVPVAGW-IBGZPJMESA-N 1 3 370.541 2.809 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1)N1CCCC1 ZINC001085296007 999319963 /nfs/dbraw/zinc/31/99/63/999319963.db2.gz JXLKQSVWCHQKBK-IAGOWNOFSA-N 1 3 364.559 2.577 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2conc2C)C1 ZINC001085306439 999329491 /nfs/dbraw/zinc/32/94/91/999329491.db2.gz AAAMRFWRSIYOHI-BHIYHBOVSA-N 1 3 362.518 2.622 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2conc2C)C1 ZINC001085306439 999329495 /nfs/dbraw/zinc/32/94/95/999329495.db2.gz AAAMRFWRSIYOHI-BHIYHBOVSA-N 1 3 362.518 2.622 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(Cl)ccc2F)C1 ZINC001085422545 999496970 /nfs/dbraw/zinc/49/69/70/999496970.db2.gz WYGVYXGMOSAKHM-MORSLUCNSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(Cl)ccc2F)C1 ZINC001085422545 999496974 /nfs/dbraw/zinc/49/69/74/999496974.db2.gz WYGVYXGMOSAKHM-MORSLUCNSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+](CC(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1)C1CCCC1 ZINC001273339067 999555616 /nfs/dbraw/zinc/55/56/16/999555616.db2.gz NFEUVWPNCCZMMH-NRFANRHFSA-N 1 3 358.530 2.704 20 0 FFADHO C[N@@H+](CC(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1)C1CCCC1 ZINC001273339067 999555623 /nfs/dbraw/zinc/55/56/23/999555623.db2.gz NFEUVWPNCCZMMH-NRFANRHFSA-N 1 3 358.530 2.704 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCCc2ccccc2)CC[N@@H+]1C ZINC001085606325 999588331 /nfs/dbraw/zinc/58/83/31/999588331.db2.gz JTXNPEFVZMSXCW-QHAWAJNXSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCCc2ccccc2)CC[N@H+]1C ZINC001085606325 999588334 /nfs/dbraw/zinc/58/83/34/999588334.db2.gz JTXNPEFVZMSXCW-QHAWAJNXSA-N 1 3 357.542 2.882 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@H]2CCCO2)c1 ZINC001096604725 1016340304 /nfs/dbraw/zinc/34/03/04/1016340304.db2.gz NXRQXDUUPDOMHY-CGXNFDGLSA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@H]2CCCO2)c1 ZINC001096604725 1016340314 /nfs/dbraw/zinc/34/03/14/1016340314.db2.gz NXRQXDUUPDOMHY-CGXNFDGLSA-N 1 3 371.525 2.652 20 0 FFADHO CCN(CCNCc1ccc(OC)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381144 999710694 /nfs/dbraw/zinc/71/06/94/999710694.db2.gz AWIUDFKJMSEOJN-GDBMZVCRSA-N 1 3 367.921 2.627 20 0 FFADHO CCN(CCNCc1ccc(OC)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273381144 999710696 /nfs/dbraw/zinc/71/06/96/999710696.db2.gz AWIUDFKJMSEOJN-GDBMZVCRSA-N 1 3 367.921 2.627 20 0 FFADHO FC(F)COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903980062 1016355766 /nfs/dbraw/zinc/35/57/66/1016355766.db2.gz FRMXRRJAPGOTCI-HDICACEKSA-N 1 3 365.468 2.731 20 0 FFADHO FC(F)COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903980062 1016355774 /nfs/dbraw/zinc/35/57/74/1016355774.db2.gz FRMXRRJAPGOTCI-HDICACEKSA-N 1 3 365.468 2.731 20 0 FFADHO COc1cc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(Br)c1O ZINC001205995556 1000007450 /nfs/dbraw/zinc/00/74/50/1000007450.db2.gz PBXDUMYWYWNIGF-AAEUAGOBSA-N 1 3 357.292 2.970 20 0 FFADHO COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(Br)c1[O-] ZINC001205995556 1000007452 /nfs/dbraw/zinc/00/74/52/1000007452.db2.gz PBXDUMYWYWNIGF-AAEUAGOBSA-N 1 3 357.292 2.970 20 0 FFADHO COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(Br)c1[O-] ZINC001205995556 1000007454 /nfs/dbraw/zinc/00/74/54/1000007454.db2.gz PBXDUMYWYWNIGF-AAEUAGOBSA-N 1 3 357.292 2.970 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111937 1000026027 /nfs/dbraw/zinc/02/60/27/1000026027.db2.gz RDHAFYJXQAKQHY-LVQVYYBASA-N 1 3 355.548 2.554 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111937 1000026029 /nfs/dbraw/zinc/02/60/29/1000026029.db2.gz RDHAFYJXQAKQHY-LVQVYYBASA-N 1 3 355.548 2.554 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111937 1000026032 /nfs/dbraw/zinc/02/60/32/1000026032.db2.gz RDHAFYJXQAKQHY-LVQVYYBASA-N 1 3 355.548 2.554 20 0 FFADHO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)CN2CCCC2)c1 ZINC000768160145 1000187305 /nfs/dbraw/zinc/18/73/05/1000187305.db2.gz WJSIIBJDWSIPGE-DHIUTWEWSA-N 1 3 368.521 2.987 20 0 FFADHO Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)CN2CCCC2)c1 ZINC000768160145 1000187307 /nfs/dbraw/zinc/18/73/07/1000187307.db2.gz WJSIIBJDWSIPGE-DHIUTWEWSA-N 1 3 368.521 2.987 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001109635708 1000760266 /nfs/dbraw/zinc/76/02/66/1000760266.db2.gz OFCCDDZIBXZDIL-YRPNKDGESA-N 1 3 365.562 2.645 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001109635708 1000760270 /nfs/dbraw/zinc/76/02/70/1000760270.db2.gz OFCCDDZIBXZDIL-YRPNKDGESA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)CC1 ZINC001109649896 1000778531 /nfs/dbraw/zinc/77/85/31/1000778531.db2.gz JDHOMAFFGPSPEV-HOJAQTOUSA-N 1 3 366.509 2.731 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](C[C@H]4CCC(F)(F)C4)C[C@@]3(C)C2)CCC1 ZINC001091735748 1001172371 /nfs/dbraw/zinc/17/23/71/1001172371.db2.gz WKKYJMMIDKVSFA-JZXOWHBKSA-N 1 3 369.500 2.686 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](C[C@H]4CCC(F)(F)C4)C[C@@]3(C)C2)CCC1 ZINC001091735748 1001172375 /nfs/dbraw/zinc/17/23/75/1001172375.db2.gz WKKYJMMIDKVSFA-JZXOWHBKSA-N 1 3 369.500 2.686 20 0 FFADHO Cc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086882160 1001299846 /nfs/dbraw/zinc/29/98/46/1001299846.db2.gz CTJSOKCTACXTDH-QFBILLFUSA-N 1 3 370.497 2.733 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](C)CC3(C)C)cc2)CC1 ZINC000746675063 1001683208 /nfs/dbraw/zinc/68/32/08/1001683208.db2.gz KOXGWMUXSRLNBL-QGZVFWFLSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H](C)CC3(C)C)cc2)CC1 ZINC000746675063 1001683211 /nfs/dbraw/zinc/68/32/11/1001683211.db2.gz KOXGWMUXSRLNBL-QGZVFWFLSA-N 1 3 358.530 2.887 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@]3(C)C2)c1 ZINC001091780675 1001905840 /nfs/dbraw/zinc/90/58/40/1001905840.db2.gz VJDACHDOQRUENM-SJBKTWHCSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@]3(C)C2)c1 ZINC001091780675 1001905852 /nfs/dbraw/zinc/90/58/52/1001905852.db2.gz VJDACHDOQRUENM-SJBKTWHCSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CN(Cc4ccsc4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953557 1002160441 /nfs/dbraw/zinc/16/04/41/1002160441.db2.gz NZGQDAJFFRANMG-BOLBYERCSA-N 1 3 361.555 2.759 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CN(Cc4ccsc4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953557 1002160444 /nfs/dbraw/zinc/16/04/44/1002160444.db2.gz NZGQDAJFFRANMG-BOLBYERCSA-N 1 3 361.555 2.759 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@]3(C)C2)cs1 ZINC001092011231 1002278705 /nfs/dbraw/zinc/27/87/05/1002278705.db2.gz UJRNNVSUZGHEMN-CVAIRZPRSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@]3(C)C2)cs1 ZINC001092011231 1002278716 /nfs/dbraw/zinc/27/87/16/1002278716.db2.gz UJRNNVSUZGHEMN-CVAIRZPRSA-N 1 3 361.555 2.821 20 0 FFADHO CC(C)(C)OC(=O)NCCC[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000827011479 1016622952 /nfs/dbraw/zinc/62/29/52/1016622952.db2.gz JLJXAUUXFVIKEX-UHFFFAOYSA-N 1 3 362.518 2.798 20 0 FFADHO CCCC[C@@H](CNCc1ccc(Cl)nc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001276256464 1016634402 /nfs/dbraw/zinc/63/44/02/1016634402.db2.gz XIBFFYZUZRCELU-HYVNUMGLSA-N 1 3 366.937 2.840 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086592356 1002530395 /nfs/dbraw/zinc/53/03/95/1002530395.db2.gz JFMMQRZLGAGRDH-PWRODBHTSA-N 1 3 355.526 2.998 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086592356 1002530404 /nfs/dbraw/zinc/53/04/04/1002530404.db2.gz JFMMQRZLGAGRDH-PWRODBHTSA-N 1 3 355.526 2.998 20 0 FFADHO CCCC[C@@H](CNCc1ccc(Cl)nc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001276256464 1016634409 /nfs/dbraw/zinc/63/44/09/1016634409.db2.gz XIBFFYZUZRCELU-HYVNUMGLSA-N 1 3 366.937 2.840 20 0 FFADHO CC[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000677968365 1016669785 /nfs/dbraw/zinc/66/97/85/1016669785.db2.gz IQHDZVMOGUGTNE-DLBZAZTESA-N 1 3 360.420 2.953 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1)N1CCCC1 ZINC001086602742 1002809684 /nfs/dbraw/zinc/80/96/84/1002809684.db2.gz QTFGTNSVTGYVRW-VQTJNVASSA-N 1 3 355.526 2.855 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1)N1CCCC1 ZINC001086602742 1002809701 /nfs/dbraw/zinc/80/97/01/1002809701.db2.gz QTFGTNSVTGYVRW-VQTJNVASSA-N 1 3 355.526 2.855 20 0 FFADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(F)c(CN3CCCC3)c2)O1 ZINC001170279853 1003097337 /nfs/dbraw/zinc/09/73/37/1003097337.db2.gz NRWLBILGONTZLC-QRVBRYPASA-N 1 3 351.466 2.558 20 0 FFADHO c1[nH]nc2c1[C@H]([NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CCC2 ZINC000796697890 1003481077 /nfs/dbraw/zinc/48/10/77/1003481077.db2.gz ZPKINXUZNNNCHV-OAQYLSRUSA-N 1 3 367.541 2.975 20 0 FFADHO COc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(Br)c1O ZINC001205602776 1004192629 /nfs/dbraw/zinc/19/26/29/1004192629.db2.gz MIIBIZOWJBZPSF-AAEUAGOBSA-N 1 3 357.292 2.970 20 0 FFADHO C[NH+](C)CCc1ccc(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cc2)cc1 ZINC001197609607 1004278117 /nfs/dbraw/zinc/27/81/17/1004278117.db2.gz AIYILMMLJHNHFO-OAQYLSRUSA-N 1 3 367.493 2.610 20 0 FFADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001193026378 1004356095 /nfs/dbraw/zinc/35/60/95/1004356095.db2.gz AFKBJZCGNOKWBH-UHFFFAOYSA-N 1 3 370.379 2.545 20 0 FFADHO Cc1nc(Cl)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170524787 1004593422 /nfs/dbraw/zinc/59/34/22/1004593422.db2.gz MMJCRQHSRROHBL-UHFFFAOYSA-N 1 3 370.888 2.743 20 0 FFADHO C[NH+](C)CCOCc1ncn2c1CN(CCCc1ccccc1)CCC2 ZINC001201662837 1005252454 /nfs/dbraw/zinc/25/24/54/1005252454.db2.gz LSKAFAMISPCQLP-UHFFFAOYSA-N 1 3 356.514 2.800 20 0 FFADHO COc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC001201954270 1005293093 /nfs/dbraw/zinc/29/30/93/1005293093.db2.gz KBWLXGWHJPQVSU-LJQANCHMSA-N 1 3 356.466 2.560 20 0 FFADHO COc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC001201954270 1005293096 /nfs/dbraw/zinc/29/30/96/1005293096.db2.gz KBWLXGWHJPQVSU-LJQANCHMSA-N 1 3 356.466 2.560 20 0 FFADHO CC(C)c1ncc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000853250034 1006351914 /nfs/dbraw/zinc/35/19/14/1006351914.db2.gz YTINUWIQOFGOTK-HNNXBMFYSA-N 1 3 374.558 2.779 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000854232056 1006733974 /nfs/dbraw/zinc/73/39/74/1006733974.db2.gz KKDOCTQHBBYSPU-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000854232056 1006733983 /nfs/dbraw/zinc/73/39/83/1006733983.db2.gz KKDOCTQHBBYSPU-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO COc1cccc([C@@H](C)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)c1 ZINC001188963722 1006824706 /nfs/dbraw/zinc/82/47/06/1006824706.db2.gz PSOBWQXCUNRULD-IMFGXOCKSA-N 1 3 359.514 2.631 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C2CC2)cnc1Cl ZINC000855346881 1007294814 /nfs/dbraw/zinc/29/48/14/1007294814.db2.gz NBEVGGJZCUCBIL-ZDUSSCGKSA-N 1 3 352.910 2.614 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C2CC2)cnc1Cl ZINC000855346881 1007294818 /nfs/dbraw/zinc/29/48/18/1007294818.db2.gz NBEVGGJZCUCBIL-ZDUSSCGKSA-N 1 3 352.910 2.614 20 0 FFADHO C[NH2+]CCOc1cccc(C(=O)Nc2cc(CN(C)C)ccc2OC)c1 ZINC000884193526 1007305927 /nfs/dbraw/zinc/30/59/27/1007305927.db2.gz IEJFHYIVVIXDQD-UHFFFAOYSA-N 1 3 357.454 2.607 20 0 FFADHO [NH3+]CCN(C(=O)c1cnc(-c2ccccc2)nc1O)c1ccc(F)cc1 ZINC001190271055 1007552747 /nfs/dbraw/zinc/55/27/47/1007552747.db2.gz YPSFOANGKCGWHQ-UHFFFAOYSA-N 1 3 352.369 2.594 20 0 FFADHO CCC(N)(CC)C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817960514 1007826931 /nfs/dbraw/zinc/82/69/31/1007826931.db2.gz MIZPIESESDMSAX-SJLPKXTDSA-N 1 3 363.502 2.520 20 0 FFADHO COc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1CN1CCCCC1 ZINC000817980321 1007837501 /nfs/dbraw/zinc/83/75/01/1007837501.db2.gz AEXCXBGVPSWTAK-XLIONFOSSA-N 1 3 361.530 2.710 20 0 FFADHO CCC[NH+]1CCC(NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818160799 1007873151 /nfs/dbraw/zinc/87/31/51/1007873151.db2.gz NMGNCENCLNPRCZ-FQEVSTJZSA-N 1 3 369.550 2.603 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000818958852 1007995169 /nfs/dbraw/zinc/99/51/69/1007995169.db2.gz XVHOXMNOOMKLCU-HSZRJFAPSA-N 1 3 367.537 2.956 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)C2CCN(Cc3ccccn3)CC2)c1 ZINC001177212945 1008519213 /nfs/dbraw/zinc/51/92/13/1008519213.db2.gz KYASPTASRAJEQY-UHFFFAOYSA-N 1 3 366.509 2.672 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001178172123 1008911455 /nfs/dbraw/zinc/91/14/55/1008911455.db2.gz XJOWDOVPWHDWIB-JKSUJKDBSA-N 1 3 358.404 2.895 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCCCCNCc2nc(C)cs2)CC[N@@H+]1C ZINC001178522987 1009017908 /nfs/dbraw/zinc/01/79/08/1009017908.db2.gz RDQARPBXVXCCNJ-DLBZAZTESA-N 1 3 366.575 2.948 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCCCCNCc2nc(C)cs2)CC[N@H+]1C ZINC001178522987 1009017924 /nfs/dbraw/zinc/01/79/24/1009017924.db2.gz RDQARPBXVXCCNJ-DLBZAZTESA-N 1 3 366.575 2.948 20 0 FFADHO C[C@@H](NCC1(C[NH+](C)C)CCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862326780 1009791483 /nfs/dbraw/zinc/79/14/83/1009791483.db2.gz UGPKSFUUXYJFFB-SJORKVTESA-N 1 3 369.550 2.722 20 0 FFADHO Cc1cc(C[NH2+]CC2(N)CCOCC2)cc(C)c1OCc1ccccn1 ZINC000863645106 1010273393 /nfs/dbraw/zinc/27/33/93/1010273393.db2.gz BQKNJMFBBVZKTH-UHFFFAOYSA-N 1 3 355.482 2.875 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001093824417 1010597039 /nfs/dbraw/zinc/59/70/39/1010597039.db2.gz UIJXDYQDPQNDCZ-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNCc2cnc3c(cnn3C)c2)cc1 ZINC000865415539 1010778747 /nfs/dbraw/zinc/77/87/47/1010778747.db2.gz MHQAHPKUOUCCOK-UHFFFAOYSA-N 1 3 367.497 2.979 20 0 FFADHO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000866239000 1010959121 /nfs/dbraw/zinc/95/91/21/1010959121.db2.gz OHDLQZBSCXJQQU-IBGZPJMESA-N 1 3 352.526 2.940 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cnoc2C)CC3)CC[N@@H+]1C ZINC001094418482 1011102596 /nfs/dbraw/zinc/10/25/96/1011102596.db2.gz WQQKIAKBHSOBLK-QEUVDIPISA-N 1 3 374.529 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cnoc2C)CC3)CC[N@H+]1C ZINC001094418482 1011102599 /nfs/dbraw/zinc/10/25/99/1011102599.db2.gz WQQKIAKBHSOBLK-QEUVDIPISA-N 1 3 374.529 2.574 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001094430770 1011114704 /nfs/dbraw/zinc/11/47/04/1011114704.db2.gz VTPSBCINVYOSJB-RANDZBMUSA-N 1 3 353.938 2.974 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001094430770 1011114707 /nfs/dbraw/zinc/11/47/07/1011114707.db2.gz VTPSBCINVYOSJB-RANDZBMUSA-N 1 3 353.938 2.974 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2 ZINC001094430431 1011114982 /nfs/dbraw/zinc/11/49/82/1011114982.db2.gz PPFWTCSBWLNCKL-TUNNFDKTSA-N 1 3 370.541 2.817 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2 ZINC001094430431 1011114984 /nfs/dbraw/zinc/11/49/84/1011114984.db2.gz PPFWTCSBWLNCKL-TUNNFDKTSA-N 1 3 370.541 2.817 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCCCO2)CCCC1 ZINC001110862296 1011263765 /nfs/dbraw/zinc/26/37/65/1011263765.db2.gz HYZRSHCXNBQMDJ-HCXYKTFWSA-N 1 3 363.546 2.542 20 0 FFADHO CN1C(C)(C)CC([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCO3)CC2)CC1(C)C ZINC001171627675 1011410210 /nfs/dbraw/zinc/41/02/10/1011410210.db2.gz ZUTMPEXOKPCXHC-BQFCYCMXSA-N 1 3 365.562 2.834 20 0 FFADHO CCCNC(=O)COC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171640345 1011423612 /nfs/dbraw/zinc/42/36/12/1011423612.db2.gz DJCIPAVHUKEIEB-UHFFFAOYSA-N 1 3 353.551 2.645 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274409821 1011429533 /nfs/dbraw/zinc/42/95/33/1011429533.db2.gz XOYCBQQAVVYEHS-WSTZPKSXSA-N 1 3 358.530 2.560 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274409821 1011429540 /nfs/dbraw/zinc/42/95/40/1011429540.db2.gz XOYCBQQAVVYEHS-WSTZPKSXSA-N 1 3 358.530 2.560 20 0 FFADHO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001171712473 1011431385 /nfs/dbraw/zinc/43/13/85/1011431385.db2.gz COAKJXLSFQBCLR-XPWALMASSA-N 1 3 368.521 2.984 20 0 FFADHO COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001171712473 1011431391 /nfs/dbraw/zinc/43/13/91/1011431391.db2.gz COAKJXLSFQBCLR-XPWALMASSA-N 1 3 368.521 2.984 20 0 FFADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171694995 1011448585 /nfs/dbraw/zinc/44/85/85/1011448585.db2.gz RYDMGABEFYMDBR-RDJZCZTQSA-N 1 3 361.486 2.619 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(Oc3ccc(Cl)nn3)CC1)C2 ZINC001172127280 1011630171 /nfs/dbraw/zinc/63/01/71/1011630171.db2.gz HLFVZAOVQGOHIC-FICVDOATSA-N 1 3 350.894 2.989 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(Oc3ccc(Cl)nn3)CC1)C2 ZINC001172127280 1011630174 /nfs/dbraw/zinc/63/01/74/1011630174.db2.gz HLFVZAOVQGOHIC-FICVDOATSA-N 1 3 350.894 2.989 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]31)C2 ZINC001172117424 1011651445 /nfs/dbraw/zinc/65/14/45/1011651445.db2.gz JLWPXUICBMMVFR-REGVOWLASA-N 1 3 371.525 2.845 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]31)C2 ZINC001172117424 1011651453 /nfs/dbraw/zinc/65/14/53/1011651453.db2.gz JLWPXUICBMMVFR-REGVOWLASA-N 1 3 371.525 2.845 20 0 FFADHO CC(C)N1CC[NH+](CCCN2CCN(c3c(F)cccc3F)CC2)CC1 ZINC000645944028 1011652295 /nfs/dbraw/zinc/65/22/95/1011652295.db2.gz FKQUTHQBRLLHLU-UHFFFAOYSA-N 1 3 366.500 2.503 20 0 FFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)[C@@H]2C1 ZINC001274820383 1011683613 /nfs/dbraw/zinc/68/36/13/1011683613.db2.gz UFLLMSSWAKDZNQ-JENIJYKNSA-N 1 3 361.917 2.715 20 0 FFADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)[C@@H]2C1 ZINC001274820383 1011683622 /nfs/dbraw/zinc/68/36/22/1011683622.db2.gz UFLLMSSWAKDZNQ-JENIJYKNSA-N 1 3 361.917 2.715 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H]2CSc3ccc(OC)cc3C2)CC1 ZINC001172249071 1011721002 /nfs/dbraw/zinc/72/10/02/1011721002.db2.gz HFPGDCOSFXCAKC-KRWDZBQOSA-N 1 3 350.528 2.803 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001172251141 1011724379 /nfs/dbraw/zinc/72/43/79/1011724379.db2.gz BRTMVXFXVYPQJM-HOCLYGCPSA-N 1 3 352.441 2.513 20 0 FFADHO CN(Cc1conc1Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646197112 1011794634 /nfs/dbraw/zinc/79/46/34/1011794634.db2.gz SPPRQTAMKMVJSJ-NRFANRHFSA-N 1 3 368.525 2.866 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(OC)cc3)CC2)C1 ZINC001172603307 1011878867 /nfs/dbraw/zinc/87/88/67/1011878867.db2.gz KDWDDHDYYCZKDZ-ZWKOTPCHSA-N 1 3 360.498 2.763 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](CC3CCC3)C2)C1=O ZINC001275140515 1011991738 /nfs/dbraw/zinc/99/17/38/1011991738.db2.gz GRTQGYVFAOJUQD-IRLDBZIGSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](CC3CCC3)C2)C1=O ZINC001275140515 1011991751 /nfs/dbraw/zinc/99/17/51/1011991751.db2.gz GRTQGYVFAOJUQD-IRLDBZIGSA-N 1 3 355.526 2.666 20 0 FFADHO CC1CCN(CCNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000646678632 1012124794 /nfs/dbraw/zinc/12/47/94/1012124794.db2.gz VKJVOPRQSYMEEX-NRFANRHFSA-N 1 3 357.542 2.789 20 0 FFADHO CC1CCN(CCNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000646678632 1012124813 /nfs/dbraw/zinc/12/48/13/1012124813.db2.gz VKJVOPRQSYMEEX-NRFANRHFSA-N 1 3 357.542 2.789 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000647192863 1012402632 /nfs/dbraw/zinc/40/26/32/1012402632.db2.gz ATKCGHOFRIUOPC-RTBURBONSA-N 1 3 372.513 2.846 20 0 FFADHO CC(C)Cn1nccc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000647218520 1012412506 /nfs/dbraw/zinc/41/25/06/1012412506.db2.gz SLYCRDZSFMGQHI-UHFFFAOYSA-N 1 3 356.514 2.656 20 0 FFADHO CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249193 1012421534 /nfs/dbraw/zinc/42/15/34/1012421534.db2.gz IEAKQYMZSUQPQM-CTNGQTDRSA-N 1 3 351.494 2.823 20 0 FFADHO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000647326626 1012443874 /nfs/dbraw/zinc/44/38/74/1012443874.db2.gz IVAJDFVGVXSEQS-XUVXKRRUSA-N 1 3 353.514 2.638 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)c2)CC1 ZINC000647475615 1012497613 /nfs/dbraw/zinc/49/76/13/1012497613.db2.gz XIDNKTYSKGMMBB-IBGZPJMESA-N 1 3 371.529 2.625 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Cc1ccc(C(F)(F)F)cc1 ZINC000647804421 1012589086 /nfs/dbraw/zinc/58/90/86/1012589086.db2.gz QDJNPBJCJBMUFL-UKPHBRMFSA-N 1 3 371.447 2.588 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(=O)OCc3ccccc3)CC2)C1 ZINC001173463423 1012633459 /nfs/dbraw/zinc/63/34/59/1012633459.db2.gz HTJGLRWVJVFPOJ-NHCUHLMSSA-N 1 3 373.541 2.657 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3ccc(F)cc3F)CC2)C1=O ZINC001275663886 1012799928 /nfs/dbraw/zinc/79/99/28/1012799928.db2.gz WSRZRLIFTXLLAI-FQEVSTJZSA-N 1 3 365.468 2.731 20 0 FFADHO COC(=O)c1ccc(C[C@H](C)N2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001173735943 1012927158 /nfs/dbraw/zinc/92/71/58/1012927158.db2.gz UTTHJWNITISUSE-KRWDZBQOSA-N 1 3 353.466 2.930 20 0 FFADHO COC(=O)c1ccc(C[C@@H](C)N2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001173735806 1012927453 /nfs/dbraw/zinc/92/74/53/1012927453.db2.gz TWOWRYOGRRPOGK-QGZVFWFLSA-N 1 3 353.466 2.930 20 0 FFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCc3ccc(F)cc3)CC2)C1=O ZINC001275753171 1012965779 /nfs/dbraw/zinc/96/57/79/1012965779.db2.gz NXWFSMDLQDCAFK-OAQYLSRUSA-N 1 3 361.505 2.634 20 0 FFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCc3ccc(F)cc3)CC2)C1=O ZINC001275753171 1012965790 /nfs/dbraw/zinc/96/57/90/1012965790.db2.gz NXWFSMDLQDCAFK-OAQYLSRUSA-N 1 3 361.505 2.634 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001097177404 1017148445 /nfs/dbraw/zinc/14/84/45/1017148445.db2.gz QXMVYRGWFKTKEC-CGXNFDGLSA-N 1 3 355.526 2.825 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001097177404 1017148452 /nfs/dbraw/zinc/14/84/52/1017148452.db2.gz QXMVYRGWFKTKEC-CGXNFDGLSA-N 1 3 355.526 2.825 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cccnc3C)CC2)CC[N@@H+]1C ZINC001052395671 1017395556 /nfs/dbraw/zinc/39/55/56/1017395556.db2.gz XQOQJLQELORAFV-SLFFLAALSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cccnc3C)CC2)CC[N@H+]1C ZINC001052395671 1017395560 /nfs/dbraw/zinc/39/55/60/1017395560.db2.gz XQOQJLQELORAFV-SLFFLAALSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000828443766 1032703355 /nfs/dbraw/zinc/70/33/55/1032703355.db2.gz IBPHZQHJPZBCGH-MRXNPFEDSA-N 1 3 372.513 2.970 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925436927 1017739623 /nfs/dbraw/zinc/73/96/23/1017739623.db2.gz ILDCTGYUZANJRZ-KSZLIROESA-N 1 3 357.502 2.807 20 0 FFADHO C[C@@H]1[C@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCCN1Cc1ccccc1 ZINC000925801252 1017852002 /nfs/dbraw/zinc/85/20/02/1017852002.db2.gz XJOHHGMNEJRVHQ-HLAWJBBLSA-N 1 3 357.542 2.788 20 0 FFADHO COC(=O)c1csc([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000925818365 1017861793 /nfs/dbraw/zinc/86/17/93/1017861793.db2.gz VFXYDHOEXLGYST-OAHLLOKOSA-N 1 3 373.522 2.791 20 0 FFADHO Oc1ccc2c(c1)[C@@H](NCc1ccc(CN3CC[NH2+]CC3)cc1)CCC2 ZINC000925816680 1017862045 /nfs/dbraw/zinc/86/20/45/1017862045.db2.gz IPHXMBRDSKMRHT-QFIPXVFZSA-N 1 3 351.494 2.965 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)c1 ZINC001097775984 1017916586 /nfs/dbraw/zinc/91/65/86/1017916586.db2.gz SHRHLBNMSIQNJJ-NJYVYQBISA-N 1 3 355.526 2.812 20 0 FFADHO Cc1cccc(-c2ccc(CN3CCNC4(CC[NH2+]CC4)C3)cn2)c1C ZINC001222104326 1032762014 /nfs/dbraw/zinc/76/20/14/1032762014.db2.gz FBRNVFHOOVCFPL-UHFFFAOYSA-N 1 3 350.510 2.893 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000901170771 1018786667 /nfs/dbraw/zinc/78/66/67/1018786667.db2.gz DYDNNUDSKOSSEL-UXPWSPDFSA-N 1 3 356.514 2.740 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000901170771 1018786677 /nfs/dbraw/zinc/78/66/77/1018786677.db2.gz DYDNNUDSKOSSEL-UXPWSPDFSA-N 1 3 356.514 2.740 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000902432425 1020197054 /nfs/dbraw/zinc/19/70/54/1020197054.db2.gz HVAKIDGWYIDHEQ-XIWWETDGSA-N 1 3 371.472 2.702 20 0 FFADHO Cc1cccn2cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc12 ZINC000931217101 1020377160 /nfs/dbraw/zinc/37/71/60/1020377160.db2.gz LVSCQZRUNLPPQL-UHFFFAOYSA-N 1 3 354.498 2.536 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000902750353 1020451037 /nfs/dbraw/zinc/45/10/37/1020451037.db2.gz FYQVJNHVTJNZPS-IACLWVNRSA-N 1 3 369.553 2.727 20 0 FFADHO CN1CCN(CC[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1(C)C ZINC000903167666 1020717493 /nfs/dbraw/zinc/71/74/93/1020717493.db2.gz NVHUUQVOXKQWDS-HXUWFJFHSA-N 1 3 363.521 2.909 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c(C)s1 ZINC001098219531 1020740688 /nfs/dbraw/zinc/74/06/88/1020740688.db2.gz IPEGBUBVPCSNTG-OWYHZJEWSA-N 1 3 361.555 2.928 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c(C)s1 ZINC001098219531 1020740695 /nfs/dbraw/zinc/74/06/95/1020740695.db2.gz IPEGBUBVPCSNTG-OWYHZJEWSA-N 1 3 361.555 2.928 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@H]2CCOC2)c1 ZINC001098459290 1020925689 /nfs/dbraw/zinc/92/56/89/1020925689.db2.gz HDWQEBQJTQPPRH-ZXNZYJFHSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@H]2CCOC2)c1 ZINC001098459290 1020925695 /nfs/dbraw/zinc/92/56/95/1020925695.db2.gz HDWQEBQJTQPPRH-ZXNZYJFHSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)c1 ZINC001098459256 1020925832 /nfs/dbraw/zinc/92/58/32/1020925832.db2.gz FFBVBBITRMFCKB-NJYVYQBISA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCOCC2)c1 ZINC001098459256 1020925837 /nfs/dbraw/zinc/92/58/37/1020925837.db2.gz FFBVBBITRMFCKB-NJYVYQBISA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCOC1 ZINC001098461353 1020929406 /nfs/dbraw/zinc/92/94/06/1020929406.db2.gz XKADKGJQELOMEA-DWIQEWEKSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCOC1 ZINC001098461353 1020929412 /nfs/dbraw/zinc/92/94/12/1020929412.db2.gz XKADKGJQELOMEA-DWIQEWEKSA-N 1 3 371.525 2.510 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(-c2ccon2)cc1 ZINC000933717657 1021077952 /nfs/dbraw/zinc/07/79/52/1021077952.db2.gz YFAICDXQBKZUGJ-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(-c2ccon2)cc1 ZINC000933717657 1021077960 /nfs/dbraw/zinc/07/79/60/1021077960.db2.gz YFAICDXQBKZUGJ-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO CCc1nccc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000934470836 1021251450 /nfs/dbraw/zinc/25/14/50/1021251450.db2.gz GYUTVIUDOONEOU-UHFFFAOYSA-N 1 3 359.518 2.633 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001099118828 1021852524 /nfs/dbraw/zinc/85/25/24/1021852524.db2.gz DFGFDDVIPKZLND-VCOUNFBDSA-N 1 3 370.541 2.511 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001099118828 1021852538 /nfs/dbraw/zinc/85/25/38/1021852538.db2.gz DFGFDDVIPKZLND-VCOUNFBDSA-N 1 3 370.541 2.511 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)CC[N@@H+]1C ZINC001014509171 1021884755 /nfs/dbraw/zinc/88/47/55/1021884755.db2.gz QBCZRAZNYNIPSF-SESVDKBCSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)CC[N@H+]1C ZINC001014509171 1021884764 /nfs/dbraw/zinc/88/47/64/1021884764.db2.gz QBCZRAZNYNIPSF-SESVDKBCSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc4ncccc4c3)C2)CC[N@@H+]1C ZINC001014509575 1021885127 /nfs/dbraw/zinc/88/51/27/1021885127.db2.gz RZEQUVRNIASRQU-SVFBPWRDSA-N 1 3 366.509 2.656 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc4ncccc4c3)C2)CC[N@H+]1C ZINC001014509575 1021885145 /nfs/dbraw/zinc/88/51/45/1021885145.db2.gz RZEQUVRNIASRQU-SVFBPWRDSA-N 1 3 366.509 2.656 20 0 FFADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001111467856 1021917411 /nfs/dbraw/zinc/91/74/11/1021917411.db2.gz YKEPBECRBRWBFU-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001111467856 1021917414 /nfs/dbraw/zinc/91/74/14/1021917414.db2.gz YKEPBECRBRWBFU-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2Cc2cccc3ccccc32)CC[N@@H+]1C ZINC001038266509 1022641009 /nfs/dbraw/zinc/64/10/09/1022641009.db2.gz RJAVHOVQVNYXPT-NSISKUIASA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2Cc2cccc3ccccc32)CC[N@H+]1C ZINC001038266509 1022641017 /nfs/dbraw/zinc/64/10/17/1022641017.db2.gz RJAVHOVQVNYXPT-NSISKUIASA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2Cc2cccc3ccccc32)CC[N@@H+]1C ZINC001038266507 1022642075 /nfs/dbraw/zinc/64/20/75/1022642075.db2.gz RJAVHOVQVNYXPT-LSTHTHJFSA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2Cc2cccc3ccccc32)CC[N@H+]1C ZINC001038266507 1022642083 /nfs/dbraw/zinc/64/20/83/1022642083.db2.gz RJAVHOVQVNYXPT-LSTHTHJFSA-N 1 3 351.494 2.871 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280401 1023350727 /nfs/dbraw/zinc/35/07/27/1023350727.db2.gz WMOBHSDAYPRQML-NRSPTQNISA-N 1 3 373.541 2.610 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC001120535224 1023352723 /nfs/dbraw/zinc/35/27/23/1023352723.db2.gz FPMBYAOZTRBWAW-TUUVXOQKSA-N 1 3 372.435 2.599 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CNC[C@H](O)c2ccc(C)o2)CC1 ZINC000756127196 1023670277 /nfs/dbraw/zinc/67/02/77/1023670277.db2.gz IYJZJRLBELJXEV-FQEVSTJZSA-N 1 3 357.498 2.943 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)c2ccc(C)o2)CC1 ZINC000756127196 1023670281 /nfs/dbraw/zinc/67/02/81/1023670281.db2.gz IYJZJRLBELJXEV-FQEVSTJZSA-N 1 3 357.498 2.943 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001121424780 1023766404 /nfs/dbraw/zinc/76/64/04/1023766404.db2.gz PWBISAYTYVCSBC-QYZOEREBSA-N 1 3 374.577 2.715 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001121424780 1023766411 /nfs/dbraw/zinc/76/64/11/1023766411.db2.gz PWBISAYTYVCSBC-QYZOEREBSA-N 1 3 374.577 2.715 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001095812254 1023954276 /nfs/dbraw/zinc/95/42/76/1023954276.db2.gz HOUGADNPJWETMC-GTAWCEEGSA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)[C@H](C1CC1)N1CCCC1 ZINC001095812254 1023954281 /nfs/dbraw/zinc/95/42/81/1023954281.db2.gz HOUGADNPJWETMC-GTAWCEEGSA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)[C@H](C1CC1)N1CCCC1 ZINC001095812254 1023954289 /nfs/dbraw/zinc/95/42/89/1023954289.db2.gz HOUGADNPJWETMC-GTAWCEEGSA-N 1 3 373.566 2.887 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101398005 1024632139 /nfs/dbraw/zinc/63/21/39/1024632139.db2.gz RTHMRLYFCFGQEH-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101398005 1024632147 /nfs/dbraw/zinc/63/21/47/1024632147.db2.gz RTHMRLYFCFGQEH-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1 ZINC001101398146 1024632593 /nfs/dbraw/zinc/63/25/93/1024632593.db2.gz ZVLBFZVDDKAAHW-GGAORHGYSA-N 1 3 369.553 2.797 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1 ZINC001101398146 1024632596 /nfs/dbraw/zinc/63/25/96/1024632596.db2.gz ZVLBFZVDDKAAHW-GGAORHGYSA-N 1 3 369.553 2.797 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@@]2(C)C1 ZINC001101418156 1024691065 /nfs/dbraw/zinc/69/10/65/1024691065.db2.gz BYLBQFOIUQBQTI-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@@]2(C)C1 ZINC001101418156 1024691069 /nfs/dbraw/zinc/69/10/69/1024691069.db2.gz BYLBQFOIUQBQTI-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974838 1025233840 /nfs/dbraw/zinc/23/38/40/1025233840.db2.gz SDBMMEMJHZXTAF-QZTJIDSGSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974838 1025233852 /nfs/dbraw/zinc/23/38/52/1025233852.db2.gz SDBMMEMJHZXTAF-QZTJIDSGSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1C)N(C)C ZINC001102088121 1025412475 /nfs/dbraw/zinc/41/24/75/1025412475.db2.gz NDQZCDNGUCWCFA-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C)N(C)C ZINC001102088121 1025412477 /nfs/dbraw/zinc/41/24/77/1025412477.db2.gz NDQZCDNGUCWCFA-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C2)cc1 ZINC001102088351 1025412661 /nfs/dbraw/zinc/41/26/61/1025412661.db2.gz SYSDNSWOBNAIHI-DUXKGJEZSA-N 1 3 359.558 2.816 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H](CC)N(C)C)[C@H](C)C2)cc1 ZINC001102088351 1025412667 /nfs/dbraw/zinc/41/26/67/1025412667.db2.gz SYSDNSWOBNAIHI-DUXKGJEZSA-N 1 3 359.558 2.816 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000637719238 1025547547 /nfs/dbraw/zinc/54/75/47/1025547547.db2.gz LORIEHDCPAUBPR-WIYYLYMNSA-N 1 3 372.557 2.941 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1C)N(C)C ZINC001102378082 1025851962 /nfs/dbraw/zinc/85/19/62/1025851962.db2.gz NDQZCDNGUCWCFA-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C)N(C)C ZINC001102378082 1025851984 /nfs/dbraw/zinc/85/19/84/1025851984.db2.gz NDQZCDNGUCWCFA-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1C)N(C)C ZINC001102380827 1025854876 /nfs/dbraw/zinc/85/48/76/1025854876.db2.gz YRJIFTYDVBEJMX-CLCXKQKWSA-N 1 3 367.484 2.532 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1C)N(C)C ZINC001102380827 1025854893 /nfs/dbraw/zinc/85/48/93/1025854893.db2.gz YRJIFTYDVBEJMX-CLCXKQKWSA-N 1 3 367.484 2.532 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430379 1025962731 /nfs/dbraw/zinc/96/27/31/1025962731.db2.gz OIPHFQKWLSNQLA-HSALFYBXSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430379 1025962741 /nfs/dbraw/zinc/96/27/41/1025962741.db2.gz OIPHFQKWLSNQLA-HSALFYBXSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCCC1 ZINC001102430516 1025964629 /nfs/dbraw/zinc/96/46/29/1025964629.db2.gz UUCMYIWCGBBKEA-SOLBZPMBSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCCC1 ZINC001102430516 1025964648 /nfs/dbraw/zinc/96/46/48/1025964648.db2.gz UUCMYIWCGBBKEA-SOLBZPMBSA-N 1 3 371.516 2.980 20 0 FFADHO CN1CC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000638833361 1026039066 /nfs/dbraw/zinc/03/90/66/1026039066.db2.gz VVKBUPZKCPHQGH-RBUKOAKNSA-N 1 3 367.484 2.535 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758019 1026460009 /nfs/dbraw/zinc/46/00/09/1026460009.db2.gz OKBUIRVFMIAIMC-OAHLLOKOSA-N 1 3 365.468 2.902 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001103140197 1026995242 /nfs/dbraw/zinc/99/52/42/1026995242.db2.gz RLUXDQQZSHLULG-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001103140197 1026995249 /nfs/dbraw/zinc/99/52/49/1026995249.db2.gz RLUXDQQZSHLULG-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CN1CCC(N(c2nnc(Cl)c3ccccc32)C2CC[NH2+]CC2)CC1 ZINC001158574612 1027062883 /nfs/dbraw/zinc/06/28/83/1027062883.db2.gz AQODCQFMSJTNSY-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO CN1CCC(N([C@@H](F)Oc2ccc(Cl)nc2)C2CC[NH2+]CC2)CC1 ZINC001158581399 1027065724 /nfs/dbraw/zinc/06/57/24/1027065724.db2.gz QYFVCTYCYOSZRQ-QGZVFWFLSA-N 1 3 356.873 2.515 20 0 FFADHO CN1CCC(N(c2nc3c(nc2Cl)CCCC3)C2CC[NH2+]CC2)CC1 ZINC001158591746 1027070815 /nfs/dbraw/zinc/07/08/15/1027070815.db2.gz WBSPOHZKXQPQIR-UHFFFAOYSA-N 1 3 363.937 2.661 20 0 FFADHO CC(C)c1c(Cl)ncnc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158589213 1027070855 /nfs/dbraw/zinc/07/08/55/1027070855.db2.gz PFRPBJDRTCGJQG-UHFFFAOYSA-N 1 3 351.926 2.906 20 0 FFADHO CCN1CCN(c2ccc(Nc3cccc(N4CC[NH2+]CC4)c3)cc2)CC1 ZINC001159449335 1027393433 /nfs/dbraw/zinc/39/34/33/1027393433.db2.gz IQWMTDMFAQTJLF-UHFFFAOYSA-N 1 3 365.525 2.982 20 0 FFADHO CCOc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001159459983 1027397152 /nfs/dbraw/zinc/39/71/52/1027397152.db2.gz JICDHSAJKAKTKZ-UHFFFAOYSA-N 1 3 365.481 2.785 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001159590432 1027439196 /nfs/dbraw/zinc/43/91/96/1027439196.db2.gz PQCMYFVBZFGIKA-NSHDSACASA-N 1 3 354.845 2.648 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C)N(C)C ZINC001103444712 1027491978 /nfs/dbraw/zinc/49/19/78/1027491978.db2.gz GWPHKIOPHWWNTC-POAQFYNOSA-N 1 3 361.530 2.610 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1C)N(C)C ZINC001103444712 1027491991 /nfs/dbraw/zinc/49/19/91/1027491991.db2.gz GWPHKIOPHWWNTC-POAQFYNOSA-N 1 3 361.530 2.610 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001103444961 1027495047 /nfs/dbraw/zinc/49/50/47/1027495047.db2.gz RLUXDQQZSHLULG-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001103444961 1027495049 /nfs/dbraw/zinc/49/50/49/1027495049.db2.gz RLUXDQQZSHLULG-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248991677 1027905861 /nfs/dbraw/zinc/90/58/61/1027905861.db2.gz NQJACAFRJXUGAU-UCHQMPSGSA-N 1 3 367.534 2.962 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248991677 1027905883 /nfs/dbraw/zinc/90/58/83/1027905883.db2.gz NQJACAFRJXUGAU-UCHQMPSGSA-N 1 3 367.534 2.962 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248991677 1027905894 /nfs/dbraw/zinc/90/58/94/1027905894.db2.gz NQJACAFRJXUGAU-UCHQMPSGSA-N 1 3 367.534 2.962 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC(F)(F)C1 ZINC001160970799 1027954595 /nfs/dbraw/zinc/95/45/95/1027954595.db2.gz CFCZYSGCTNNYSB-ZBFHGGJFSA-N 1 3 371.859 2.747 20 0 FFADHO O=C([C@H]1CNC[C@@H](F)C1)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054601 1027985417 /nfs/dbraw/zinc/98/54/17/1027985417.db2.gz DSHKNWINPPTTNB-HBFSDRIKSA-N 1 3 359.489 2.590 20 0 FFADHO O=C([C@H]1CNC[C@@H](F)C1)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054601 1027985433 /nfs/dbraw/zinc/98/54/33/1027985433.db2.gz DSHKNWINPPTTNB-HBFSDRIKSA-N 1 3 359.489 2.590 20 0 FFADHO CN(CCN(C)C(=O)C[C@@H]([NH3+])COCc1ccccc1)Cc1ccccc1 ZINC001161161138 1028043895 /nfs/dbraw/zinc/04/38/95/1028043895.db2.gz OQEABPDPYSXMEZ-OAQYLSRUSA-N 1 3 369.509 2.511 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)C1 ZINC001154047723 1028127214 /nfs/dbraw/zinc/12/72/14/1028127214.db2.gz IOVDLVOWFAGMRW-AEFFLSMTSA-N 1 3 373.541 2.875 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1C ZINC001103757343 1028148258 /nfs/dbraw/zinc/14/82/58/1028148258.db2.gz WWPZBDKCDRGDOA-NUJGCVRESA-N 1 3 364.559 2.592 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1C ZINC001103757343 1028148262 /nfs/dbraw/zinc/14/82/62/1028148262.db2.gz WWPZBDKCDRGDOA-NUJGCVRESA-N 1 3 364.559 2.592 20 0 FFADHO CN(C)CCN(C(=O)c1ccc(OC2CCCCC2)nc1)[C@H]1CCC[NH2+]C1 ZINC001161449939 1028179471 /nfs/dbraw/zinc/17/94/71/1028179471.db2.gz VWLVOANHDJQHEM-SFHVURJKSA-N 1 3 374.529 2.549 20 0 FFADHO O=C(N1CCC(c2csc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161453089 1028184423 /nfs/dbraw/zinc/18/44/23/1028184423.db2.gz YRZDGZNSGHMPRH-IIBYNOLFSA-N 1 3 369.534 2.806 20 0 FFADHO Cc1ccc(F)c(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C)c1 ZINC001103999538 1028461538 /nfs/dbraw/zinc/46/15/38/1028461538.db2.gz BWJHFAFNWJMZKM-HLIPFELVSA-N 1 3 361.505 2.803 20 0 FFADHO O=C(CC[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)Nc1ccccc1F ZINC000644601536 1028577748 /nfs/dbraw/zinc/57/77/48/1028577748.db2.gz VAHTYBRUQIDBRC-RBUKOAKNSA-N 1 3 363.477 2.512 20 0 FFADHO CC[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C)OC ZINC001104195901 1028653688 /nfs/dbraw/zinc/65/36/88/1028653688.db2.gz AJVHTOGZSFDWSD-QRVBRYPASA-N 1 3 367.578 2.750 20 0 FFADHO C[NH+]1CCC(COc2cnc(N[C@@H]3CNCc4ccsc43)nc2)CC1 ZINC001163220672 1028845721 /nfs/dbraw/zinc/84/57/21/1028845721.db2.gz GOFITYIKMWJCJB-MRXNPFEDSA-N 1 3 359.499 2.515 20 0 FFADHO C[N@@H+]1CCc2nc(Cl)nc(-n3cncc3CNCc3ccccc3)c2C1 ZINC001156509631 1029225905 /nfs/dbraw/zinc/22/59/05/1029225905.db2.gz XKGAUPGBCWDETG-UHFFFAOYSA-N 1 3 368.872 2.593 20 0 FFADHO C[N@H+]1CCc2nc(Cl)nc(-n3cncc3CNCc3ccccc3)c2C1 ZINC001156509631 1029225918 /nfs/dbraw/zinc/22/59/18/1029225918.db2.gz XKGAUPGBCWDETG-UHFFFAOYSA-N 1 3 368.872 2.593 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)cc1F ZINC001111857840 1029629355 /nfs/dbraw/zinc/62/93/55/1029629355.db2.gz AYIVUMHTEIPBNV-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO CCOCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111869827 1029648967 /nfs/dbraw/zinc/64/89/67/1029648967.db2.gz LZFNJGOYBFYWTF-BJLQDIEVSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001111869827 1029648971 /nfs/dbraw/zinc/64/89/71/1029648971.db2.gz LZFNJGOYBFYWTF-BJLQDIEVSA-N 1 3 353.551 2.504 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CCCc3ccccc32)CC1 ZINC001158160021 1029747871 /nfs/dbraw/zinc/74/78/71/1029747871.db2.gz CUSSIVVSGJAERR-HXUWFJFHSA-N 1 3 367.537 2.757 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CCCc3ccccc32)CC1 ZINC001158160021 1029747877 /nfs/dbraw/zinc/74/78/77/1029747877.db2.gz CUSSIVVSGJAERR-HXUWFJFHSA-N 1 3 367.537 2.757 20 0 FFADHO Cc1cc(N(c2ccc(CN(C)C3CC3)cn2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158391747 1029818170 /nfs/dbraw/zinc/81/81/70/1029818170.db2.gz ZKRIHLDGXVWGIP-UHFFFAOYSA-N 1 3 366.513 2.973 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3([NH+](C)C)CCC3)c(C)c2)CC1 ZINC000782994322 1029873983 /nfs/dbraw/zinc/87/39/83/1029873983.db2.gz QWRSYPXCSKPGQB-UHFFFAOYSA-N 1 3 373.545 2.743 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000840834577 1029890393 /nfs/dbraw/zinc/89/03/93/1029890393.db2.gz ZNZHONWBUVUVKK-FQEVSTJZSA-N 1 3 374.598 2.940 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000840834577 1029890402 /nfs/dbraw/zinc/89/04/02/1029890402.db2.gz ZNZHONWBUVUVKK-FQEVSTJZSA-N 1 3 374.598 2.940 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)cc2)CC1 ZINC000841018366 1029979429 /nfs/dbraw/zinc/97/94/29/1029979429.db2.gz UEHUWPOXNUOMAM-FQEVSTJZSA-N 1 3 361.534 2.714 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])cc2)CC1 ZINC000841017180 1029981077 /nfs/dbraw/zinc/98/10/77/1029981077.db2.gz AYPCIYOAKUYJHZ-VQIMIIECSA-N 1 3 359.518 2.562 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(CC3(C[NH3+])CC3)CC2)C1 ZINC000841103474 1030039205 /nfs/dbraw/zinc/03/92/05/1030039205.db2.gz WPJFFEGQOWEHLK-IAGOWNOFSA-N 1 3 367.534 2.510 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166214 1030131106 /nfs/dbraw/zinc/13/11/06/1030131106.db2.gz JXNLUBFQYFKHKE-NUEKZKHPSA-N 1 3 363.468 2.743 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112167168 1030131487 /nfs/dbraw/zinc/13/14/87/1030131487.db2.gz GTLAECUEMHVTSU-KFWWJZLASA-N 1 3 351.457 2.886 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841283599 1030155502 /nfs/dbraw/zinc/15/55/02/1030155502.db2.gz ZHGUDVHOJOTSNZ-OXQOHEQNSA-N 1 3 368.481 2.666 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841290102 1030163593 /nfs/dbraw/zinc/16/35/93/1030163593.db2.gz ASWBUWZIOUVJPJ-LPHOPBHVSA-N 1 3 368.481 2.981 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841292494 1030167145 /nfs/dbraw/zinc/16/71/45/1030167145.db2.gz WOPHWGTVYTWJRC-UHFFFAOYSA-N 1 3 356.470 2.620 20 0 FFADHO CCCN1CCN(c2ccc(NC(=O)[C@@H](C)[NH+](C)C)cc2Cl)CC1 ZINC001142258316 1030228831 /nfs/dbraw/zinc/22/88/31/1030228831.db2.gz FGGIDNIUAJVZSL-CQSZACIVSA-N 1 3 352.910 2.761 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841730863 1030432393 /nfs/dbraw/zinc/43/23/93/1030432393.db2.gz QIQOEVYPSJKXEC-UWJYYQICSA-N 1 3 366.509 2.823 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841924812 1030544329 /nfs/dbraw/zinc/54/43/29/1030544329.db2.gz DJYMSPFMAGRPNE-UHFFFAOYSA-N 1 3 372.488 2.600 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1 ZINC001112353754 1030633763 /nfs/dbraw/zinc/63/37/63/1030633763.db2.gz ZHHCZRCYHOHLMY-KLCJXICPSA-N 1 3 353.938 2.830 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCOC)C1 ZINC001112382096 1030708260 /nfs/dbraw/zinc/70/82/60/1030708260.db2.gz DWRDIJGXWWCWLK-ZVDOUQERSA-N 1 3 365.562 2.506 20 0 FFADHO Cc1ccc2c(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000842478561 1030754086 /nfs/dbraw/zinc/75/40/86/1030754086.db2.gz HWHFZTJLCINNKS-RXVVDRJESA-N 1 3 356.466 2.820 20 0 FFADHO C[NH+](C)CCn1c(=O)ccc2c1CCN(Cc1ccc(Cl)cc1)CC2 ZINC001203919196 1030979960 /nfs/dbraw/zinc/97/99/60/1030979960.db2.gz CSLMEZJVCOOZAC-UHFFFAOYSA-N 1 3 359.901 2.664 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000843040793 1031154513 /nfs/dbraw/zinc/15/45/13/1031154513.db2.gz ZYBDBBJLRVKWGX-IBGZPJMESA-N 1 3 371.529 2.625 20 0 FFADHO CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)cc1 ZINC001204454153 1031298622 /nfs/dbraw/zinc/29/86/22/1031298622.db2.gz CQKYPOYTYZXAFV-DYXWJJEUSA-N 1 3 369.513 2.660 20 0 FFADHO CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)cc1 ZINC001204454153 1031298636 /nfs/dbraw/zinc/29/86/36/1031298636.db2.gz CQKYPOYTYZXAFV-DYXWJJEUSA-N 1 3 369.513 2.660 20 0 FFADHO [NH3+]CCCOC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000843356168 1031347583 /nfs/dbraw/zinc/34/75/83/1031347583.db2.gz SCFQOPXCWDKLGW-UHFFFAOYSA-N 1 3 356.466 2.612 20 0 FFADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363754 1031356928 /nfs/dbraw/zinc/35/69/28/1031356928.db2.gz OFCLPOHXEZKNND-SFHVURJKSA-N 1 3 359.514 2.728 20 0 FFADHO C[NH+](C)Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)c2c1OC(F)(F)O2 ZINC001204651108 1031398187 /nfs/dbraw/zinc/39/81/87/1031398187.db2.gz KVAFOYOQXIHDFA-OCZCAGDBSA-N 1 3 368.424 2.663 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC001204850155 1031453444 /nfs/dbraw/zinc/45/34/44/1031453444.db2.gz GERHJWPFQKJNFE-UHFFFAOYSA-N 1 3 353.457 2.747 20 0 FFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2 ZINC001204985263 1031480289 /nfs/dbraw/zinc/48/02/89/1031480289.db2.gz ONNULFDXMNUIDX-QGZVFWFLSA-N 1 3 360.527 2.737 20 0 FFADHO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CN2CCC[C@](C)([NH3+])CC2)OC(C)(C)O1 ZINC001205256841 1031633560 /nfs/dbraw/zinc/63/35/60/1031633560.db2.gz QUCYRYGGWQJZBF-GUXCAODWSA-N 1 3 370.534 2.832 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC/C=C\Cl)C1 ZINC001205429084 1031737970 /nfs/dbraw/zinc/73/79/70/1031737970.db2.gz QEZQXLHWLSVJIO-MEDMHYDHSA-N 1 3 367.896 2.804 20 0 FFADHO Cc1ccc(Br)nc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218749602 1033320824 /nfs/dbraw/zinc/32/08/24/1033320824.db2.gz FSNCEEYLQYATLL-LBPRGKRZSA-N 1 3 357.296 2.587 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 ZINC001218753223 1033323679 /nfs/dbraw/zinc/32/36/79/1033323679.db2.gz KYOZVHSYNHSAER-SFHVURJKSA-N 1 3 365.481 2.999 20 0 FFADHO CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218821171 1033358910 /nfs/dbraw/zinc/35/89/10/1033358910.db2.gz VYEADPRAJXWUIU-INIZCTEOSA-N 1 3 374.485 2.779 20 0 FFADHO COc1ccc(C2(C(=O)Nc3cccc4c3CNC4)CC[NH2+]CC2)cc1 ZINC001218992847 1033446833 /nfs/dbraw/zinc/44/68/33/1033446833.db2.gz FRNLSPVBEMVBPN-UHFFFAOYSA-N 1 3 351.450 2.558 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC001219028007 1033476064 /nfs/dbraw/zinc/47/60/64/1033476064.db2.gz LBZPHRKSLZTMPV-OALUTQOASA-N 1 3 351.450 2.500 20 0 FFADHO CC(=O)c1ccc(Oc2ccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2)cc1 ZINC001219227787 1033563732 /nfs/dbraw/zinc/56/37/32/1033563732.db2.gz NLYTYLIDDOXFCU-HXUWFJFHSA-N 1 3 367.449 2.947 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cc(F)ccc3C)[C@H]2C1 ZINC001223838771 1033609325 /nfs/dbraw/zinc/60/93/25/1033609325.db2.gz KPDDMAXEXDUHOX-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cc(F)ccc3C)[C@H]2C1 ZINC001223838771 1033609332 /nfs/dbraw/zinc/60/93/32/1033609332.db2.gz KPDDMAXEXDUHOX-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001219494991 1033668595 /nfs/dbraw/zinc/66/85/95/1033668595.db2.gz JJWBZLLLXQXBRD-FQEVSTJZSA-N 1 3 365.477 2.800 20 0 FFADHO N[C@@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)C12CC3CC(CC(C3)C1)C2 ZINC001219540967 1033682629 /nfs/dbraw/zinc/68/26/29/1033682629.db2.gz JWYILQBOLDIMCQ-HAMIPIKBSA-N 1 3 367.493 2.617 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2CCN(Cc3ccccn3)[C@H]2C1 ZINC001224289348 1033831004 /nfs/dbraw/zinc/83/10/04/1033831004.db2.gz LSDAOEXYKQCLHY-CTNGQTDRSA-N 1 3 370.541 2.771 20 0 FFADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161412 1034015433 /nfs/dbraw/zinc/01/54/33/1034015433.db2.gz CKHYAIDUVBGZBB-JZXOWHBKSA-N 1 3 369.431 2.614 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220251638 1034070093 /nfs/dbraw/zinc/07/00/93/1034070093.db2.gz AAJHPHKNOISZMQ-NHCUHLMSSA-N 1 3 351.494 2.824 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220251638 1034070101 /nfs/dbraw/zinc/07/01/01/1034070101.db2.gz AAJHPHKNOISZMQ-NHCUHLMSSA-N 1 3 351.494 2.824 20 0 FFADHO Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001138465653 1034299380 /nfs/dbraw/zinc/29/93/80/1034299380.db2.gz QWBFIWVHJLVFHF-QGZVFWFLSA-N 1 3 372.469 2.666 20 0 FFADHO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001138469457 1034303434 /nfs/dbraw/zinc/30/34/34/1034303434.db2.gz IOZZGBURGNJGNI-OAQYLSRUSA-N 1 3 368.481 2.684 20 0 FFADHO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001138469457 1034303445 /nfs/dbraw/zinc/30/34/45/1034303445.db2.gz IOZZGBURGNJGNI-OAQYLSRUSA-N 1 3 368.481 2.684 20 0 FFADHO COc1cccc([C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c2ccccc2)c1 ZINC001220696945 1034342046 /nfs/dbraw/zinc/34/20/46/1034342046.db2.gz KDDJTVVFNDXDDY-LEWJYISDSA-N 1 3 369.509 2.960 20 0 FFADHO CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220845646 1034426287 /nfs/dbraw/zinc/42/62/87/1034426287.db2.gz XQJGWJKSILDUPA-IRXDYDNUSA-N 1 3 371.566 2.745 20 0 FFADHO O=C(N[C@H]1CC[C@@H](OCc2ccccc2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221198440 1034599546 /nfs/dbraw/zinc/59/95/46/1034599546.db2.gz BPVAPGXHVJBIHD-ZCNNSNEGSA-N 1 3 371.525 2.505 20 0 FFADHO O=C(N[C@H]1CC[C@@H](OCc2ccccc2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221198440 1034599551 /nfs/dbraw/zinc/59/95/51/1034599551.db2.gz BPVAPGXHVJBIHD-ZCNNSNEGSA-N 1 3 371.525 2.505 20 0 FFADHO N[C@@H](Cc1cccc2ccccc21)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398608 1034712117 /nfs/dbraw/zinc/71/21/17/1034712117.db2.gz FAWLDEBERQXUKU-UNMCSNQZSA-N 1 3 359.473 2.540 20 0 FFADHO N[C@H](CC(=O)N[C@H](C1CCC1)C1C[NH2+]C1)c1cccc(Cl)c1Cl ZINC001221407648 1034719830 /nfs/dbraw/zinc/71/98/30/1034719830.db2.gz CRHMOZBPSNDARA-RHSMWYFYSA-N 1 3 356.297 2.888 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2)C1CCC1 ZINC001226823631 1034853683 /nfs/dbraw/zinc/85/36/83/1034853683.db2.gz AIDUTFRNDKULTN-NHCUHLMSSA-N 1 3 371.525 2.718 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001226891156 1034875296 /nfs/dbraw/zinc/87/52/96/1034875296.db2.gz REAWCVATVOJBSD-USXIJHARSA-N 1 3 350.532 2.535 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001226891156 1034875302 /nfs/dbraw/zinc/87/53/02/1034875302.db2.gz REAWCVATVOJBSD-USXIJHARSA-N 1 3 350.532 2.535 20 0 FFADHO CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCN(C)C1 ZINC001221623600 1034928654 /nfs/dbraw/zinc/92/86/54/1034928654.db2.gz PSCKZJIMDXFGOL-IBGZPJMESA-N 1 3 350.551 2.767 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21 ZINC001221657420 1034957216 /nfs/dbraw/zinc/95/72/16/1034957216.db2.gz VFUMVYJXSKCUGN-ARFHVFGLSA-N 1 3 357.489 2.685 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21 ZINC001221657420 1034957220 /nfs/dbraw/zinc/95/72/20/1034957220.db2.gz VFUMVYJXSKCUGN-ARFHVFGLSA-N 1 3 357.489 2.685 20 0 FFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN([C@@H]4CCc5ccccc54)C[C@H]32)CC1 ZINC001221772668 1035057077 /nfs/dbraw/zinc/05/70/77/1035057077.db2.gz JEHSRQPNYVZVGZ-MISYRCLQSA-N 1 3 353.510 2.548 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000834780083 1035448177 /nfs/dbraw/zinc/44/81/77/1035448177.db2.gz DQDITFHBMYKMOS-IOBOIYPZSA-N 1 3 356.466 2.814 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000834795727 1035451832 /nfs/dbraw/zinc/45/18/32/1035451832.db2.gz MNYCKXDMYGVOPL-YMISUZCDSA-N 1 3 370.541 2.817 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001228255198 1036017178 /nfs/dbraw/zinc/01/71/78/1036017178.db2.gz UIAUFFTUZNIJGV-IAGOWNOFSA-N 1 3 352.910 2.594 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1)[NH+](CC)CC ZINC001228559411 1036180108 /nfs/dbraw/zinc/18/01/08/1036180108.db2.gz RREFXEOQAVUVNQ-BRWVUGGUSA-N 1 3 352.548 2.781 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCOC1)CC(C)(C)C ZINC001228647472 1036229699 /nfs/dbraw/zinc/22/96/99/1036229699.db2.gz UEMXEJCKCAEHEL-GUDVDZBRSA-N 1 3 367.578 2.798 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001228924503 1036410041 /nfs/dbraw/zinc/41/00/41/1036410041.db2.gz FDZSXZLKGDTTGP-VAMGGRTRSA-N 1 3 367.578 2.941 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccsc3Br)CC2)CC1 ZINC001233481970 1036649073 /nfs/dbraw/zinc/64/90/73/1036649073.db2.gz RBPLLCRDOILJFZ-UHFFFAOYSA-N 1 3 372.376 2.970 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC001229859710 1036942064 /nfs/dbraw/zinc/94/20/64/1036942064.db2.gz CBHJBYMJHZFAFZ-WOJBJXKFSA-N 1 3 360.546 2.611 20 0 FFADHO Cc1cccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1Br ZINC001141091928 1036946477 /nfs/dbraw/zinc/94/64/77/1036946477.db2.gz ZFNXOTXPGVHHCF-DLBZAZTESA-N 1 3 366.347 2.968 20 0 FFADHO COc1cncc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001206992937 1037034314 /nfs/dbraw/zinc/03/43/14/1037034314.db2.gz CFNAMVZTOQNBBE-UHFFFAOYSA-N 1 3 352.482 2.973 20 0 FFADHO COc1cncc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001206992937 1037034327 /nfs/dbraw/zinc/03/43/27/1037034327.db2.gz CFNAMVZTOQNBBE-UHFFFAOYSA-N 1 3 352.482 2.973 20 0 FFADHO Nc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)cn1 ZINC001235423364 1037541059 /nfs/dbraw/zinc/54/10/59/1037541059.db2.gz GEWQBKJSPOXDHK-OLZOCXBDSA-N 1 3 353.308 2.638 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2)cc1 ZINC001235482484 1037578111 /nfs/dbraw/zinc/57/81/11/1037578111.db2.gz BISFMGOXTZZRTO-PCCBWWKXSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2)cc1 ZINC001235482484 1037578125 /nfs/dbraw/zinc/57/81/25/1037578125.db2.gz BISFMGOXTZZRTO-PCCBWWKXSA-N 1 3 370.541 2.695 20 0 FFADHO COc1ccccc1O[C@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235688387 1037681919 /nfs/dbraw/zinc/68/19/19/1037681919.db2.gz PLVXBPJUVWBRIP-IBGZPJMESA-N 1 3 367.493 2.758 20 0 FFADHO CC1(C)[NH2+][C@@H](CCN2CCN[C@@H](c3cccc(Br)c3)C2)CO1 ZINC001235793467 1037747983 /nfs/dbraw/zinc/74/79/83/1037747983.db2.gz HZMJCIAUNVPRCS-JKSUJKDBSA-N 1 3 368.319 2.510 20 0 FFADHO Brc1cccc([C@H]2CN(CC[C@H]3CCCC[NH2+]3)CCN2)c1 ZINC001235796686 1037748349 /nfs/dbraw/zinc/74/83/49/1037748349.db2.gz UPAUYROCEYVWHY-IAGOWNOFSA-N 1 3 352.320 2.928 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(-c4ccccn4)s3)C[C@H]1CNCC2 ZINC001236038267 1037901456 /nfs/dbraw/zinc/90/14/56/1037901456.db2.gz IFQNJPFXZRDZGT-FOIQADDNSA-N 1 3 371.506 2.785 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(-c4ccccn4)s3)C[C@H]1CNCC2 ZINC001236038267 1037901466 /nfs/dbraw/zinc/90/14/66/1037901466.db2.gz IFQNJPFXZRDZGT-FOIQADDNSA-N 1 3 371.506 2.785 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3cc(O)cc4ccccc43)C[C@H]1CNCC2 ZINC001236039896 1037903953 /nfs/dbraw/zinc/90/39/53/1037903953.db2.gz GGUCZEIJOIBOPZ-DYESRHJHSA-N 1 3 354.450 2.520 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cc(O)cc4ccccc43)C[C@H]1CNCC2 ZINC001236039896 1037903965 /nfs/dbraw/zinc/90/39/65/1037903965.db2.gz GGUCZEIJOIBOPZ-DYESRHJHSA-N 1 3 354.450 2.520 20 0 FFADHO CCOC(=O)c1cc2cc(N3CCN(CCCCC[NH3+])CC3)ccc2o1 ZINC001236107117 1037933736 /nfs/dbraw/zinc/93/37/36/1037933736.db2.gz NLWWDVMEUDHZNK-UHFFFAOYSA-N 1 3 359.470 2.861 20 0 FFADHO CN(Cc1ccc2c(c1)CC[NH2+]C2)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001236233887 1037996607 /nfs/dbraw/zinc/99/66/07/1037996607.db2.gz KTFFSLOBLUKPGP-QHCPKHFHSA-N 1 3 365.521 2.665 20 0 FFADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc5ccsc5c4)CC3)[C@H]2C1 ZINC001278872255 1038018250 /nfs/dbraw/zinc/01/82/50/1038018250.db2.gz NRNZDUVWBYBJTE-IRXDYDNUSA-N 1 3 355.507 2.544 20 0 FFADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc5ccsc5c4)CC3)[C@H]2C1 ZINC001278872255 1038018271 /nfs/dbraw/zinc/01/82/71/1038018271.db2.gz NRNZDUVWBYBJTE-IRXDYDNUSA-N 1 3 355.507 2.544 20 0 FFADHO Fc1ccc(CN(Cc2nc3c(s2)CNCC3)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389786 1038066235 /nfs/dbraw/zinc/06/62/35/1038066235.db2.gz NPYCNYQIKQMVCY-MRXNPFEDSA-N 1 3 360.502 2.682 20 0 FFADHO COc1cccc(O[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC001236534901 1038123249 /nfs/dbraw/zinc/12/32/49/1038123249.db2.gz BYEZXYIENUNYMF-LJQANCHMSA-N 1 3 353.466 2.779 20 0 FFADHO COc1cccc(O[C@@H]2CCCN(Cc3cc4c(s3)C[NH2+]CC4)C2)n1 ZINC001236536919 1038125251 /nfs/dbraw/zinc/12/52/51/1038125251.db2.gz QPNVTFJHXCAUJZ-OAHLLOKOSA-N 1 3 359.495 2.841 20 0 FFADHO Cc1cccnc1OC1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001236662305 1038179389 /nfs/dbraw/zinc/17/93/89/1038179389.db2.gz CAYNMKCCBVPCMT-UHFFFAOYSA-N 1 3 366.509 2.843 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)N(CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255808897 1038182583 /nfs/dbraw/zinc/18/25/83/1038182583.db2.gz VUVVURAGIZFGCH-SZMVWBNQSA-N 1 3 350.528 2.831 20 0 FFADHO COc1cccc(OC)c1CN1CCC([NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001255937835 1038264052 /nfs/dbraw/zinc/26/40/52/1038264052.db2.gz PBRJPLBGUVCJHO-UHFFFAOYSA-N 1 3 373.541 2.696 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1C[C@@H](COC)N(C(=O)OC(C)(C)C)C1 ZINC001255951308 1038270377 /nfs/dbraw/zinc/27/03/77/1038270377.db2.gz HVSAECKGQDNXJF-BBWFWOEESA-N 1 3 357.539 2.721 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255962947 1038278888 /nfs/dbraw/zinc/27/88/88/1038278888.db2.gz LVCMZXFJNQWOMN-GHTZIAJQSA-N 1 3 358.530 2.626 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255962947 1038278889 /nfs/dbraw/zinc/27/88/89/1038278889.db2.gz LVCMZXFJNQWOMN-GHTZIAJQSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444993 1038321086 /nfs/dbraw/zinc/32/10/86/1038321086.db2.gz NIEHLCBOLWJTPD-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO Cc1cccc(CN2C(=O)CCC23CCN(C[C@H]2CCC[N@@H+](C)C2)CC3)n1 ZINC001208611081 1038445138 /nfs/dbraw/zinc/44/51/38/1038445138.db2.gz UMNLVNFRPDUTTP-IBGZPJMESA-N 1 3 370.541 2.689 20 0 FFADHO Cc1cccc(CN2C(=O)CCC23CCN(C[C@H]2CCC[N@H+](C)C2)CC3)n1 ZINC001208611081 1038445141 /nfs/dbraw/zinc/44/51/41/1038445141.db2.gz UMNLVNFRPDUTTP-IBGZPJMESA-N 1 3 370.541 2.689 20 0 FFADHO CC(=O)c1c(C)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC001208681878 1038483924 /nfs/dbraw/zinc/48/39/24/1038483924.db2.gz SVTWMDITFAKBPV-INIZCTEOSA-N 1 3 362.518 2.900 20 0 FFADHO CC(=O)c1c(C)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC001208681878 1038483926 /nfs/dbraw/zinc/48/39/26/1038483926.db2.gz SVTWMDITFAKBPV-INIZCTEOSA-N 1 3 362.518 2.900 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(Cc1ccc3scnc3c1)CC2 ZINC001276580338 1038494070 /nfs/dbraw/zinc/49/40/70/1038494070.db2.gz MBRHHCIAHXKGTQ-MRXNPFEDSA-N 1 3 372.538 2.576 20 0 FFADHO CCOC(=O)C1(NC2CC[NH+](Cc3ccccc3)CC2)CCN(CC)CC1 ZINC001256601748 1038578586 /nfs/dbraw/zinc/57/85/86/1038578586.db2.gz ZLCZMPSEPJWZBR-UHFFFAOYSA-N 1 3 373.541 2.658 20 0 FFADHO O=C([C@H]1CCCC[N@@H+]1C[C@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC001208947317 1038600119 /nfs/dbraw/zinc/60/01/19/1038600119.db2.gz AOSFGIBRWXGZBO-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@H]1CCCC[N@H+]1C[C@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC001208947317 1038600125 /nfs/dbraw/zinc/60/01/25/1038600125.db2.gz AOSFGIBRWXGZBO-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO Fc1ccccc1CN1CC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256681270 1038600698 /nfs/dbraw/zinc/60/06/98/1038600698.db2.gz PNJPPHTXHCLVRB-IOJLRTSASA-N 1 3 361.505 2.633 20 0 FFADHO CC(C)[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001256683484 1038601299 /nfs/dbraw/zinc/60/12/99/1038601299.db2.gz DFKUPRUVBXQARG-ABHNRTSZSA-N 1 3 369.550 2.769 20 0 FFADHO Fc1ccc(Cn2cnc(C[NH2+]C3CCC(N4CCOCC4)CC3)c2)cc1 ZINC001256685877 1038602319 /nfs/dbraw/zinc/60/23/19/1038602319.db2.gz IOAKIEJDMSXDSE-UHFFFAOYSA-N 1 3 372.488 2.804 20 0 FFADHO c1cnc(-c2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc2)nc1 ZINC001256687430 1038602476 /nfs/dbraw/zinc/60/24/76/1038602476.db2.gz VJLQWNKAHRDWCG-UHFFFAOYSA-N 1 3 352.482 2.877 20 0 FFADHO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687019 1038602604 /nfs/dbraw/zinc/60/26/04/1038602604.db2.gz ZYYDMGDVLJKOLE-KLAILNCOSA-N 1 3 355.523 2.523 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)C1 ZINC001208956680 1038606127 /nfs/dbraw/zinc/60/61/27/1038606127.db2.gz HCTKYMOOHICDST-LJQANCHMSA-N 1 3 359.514 2.826 20 0 FFADHO c1ccc2c(c1)N(C1CCC(N3CCOCC3)CC1)CC21CC[NH2+]CC1 ZINC001256697771 1038606174 /nfs/dbraw/zinc/60/61/74/1038606174.db2.gz IPUSFXMEHQFSIV-UHFFFAOYSA-N 1 3 355.526 2.771 20 0 FFADHO C[C@@H](Cc1ccccc1Br)N1CCN(CCCC[NH3+])CC1 ZINC001256836334 1038631358 /nfs/dbraw/zinc/63/13/58/1038631358.db2.gz PYHJTCZTJQDTST-HNNXBMFYSA-N 1 3 354.336 2.737 20 0 FFADHO CCOC[C@H]1CN(C2CCN(c3cc[nH+]cc3)CC2)Cc2cnn(CC)c21 ZINC001256859767 1038637565 /nfs/dbraw/zinc/63/75/65/1038637565.db2.gz QPEGAZWALNFGSJ-GOSISDBHSA-N 1 3 369.513 2.903 20 0 FFADHO CCOC(=O)CC[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001209033703 1038642100 /nfs/dbraw/zinc/64/21/00/1038642100.db2.gz QFERNZZJNMRRCC-MRXNPFEDSA-N 1 3 366.527 2.757 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cnc4[nH]ccc4c3)CC2)C1 ZINC001278986527 1038684395 /nfs/dbraw/zinc/68/43/95/1038684395.db2.gz BDHNISWZFKSCJC-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cnc4[nH]ccc4c3)CC2)C1 ZINC001278986527 1038684400 /nfs/dbraw/zinc/68/44/00/1038684400.db2.gz BDHNISWZFKSCJC-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO C[C@H]1CC([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)C[C@H](C)O1 ZINC001257092695 1038707595 /nfs/dbraw/zinc/70/75/95/1038707595.db2.gz GQFRYWHWJKNVIV-OALUTQOASA-N 1 3 373.541 2.952 20 0 FFADHO CC[NH+]1CCC(NC[C@@H](O)COCc2c(Cl)cccc2Cl)CC1 ZINC001250915299 1038808271 /nfs/dbraw/zinc/80/82/71/1038808271.db2.gz WQXRLHCXOYXHPP-CQSZACIVSA-N 1 3 361.313 2.945 20 0 FFADHO O=C(c1cccnc1)N1CCC2(CCN(CCC[NH+]3CCCCC3)C2)CC1 ZINC001209451818 1038880475 /nfs/dbraw/zinc/88/04/75/1038880475.db2.gz SMLUKUIRXAOBLO-UHFFFAOYSA-N 1 3 370.541 2.886 20 0 FFADHO CCCC[NH+](CCCC)CCN[C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257722051 1038940515 /nfs/dbraw/zinc/94/05/15/1038940515.db2.gz GSLNSWYPQLEWQU-RCCFBDPRSA-N 1 3 370.534 2.609 20 0 FFADHO Cc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)[nH]1 ZINC001209570803 1039004547 /nfs/dbraw/zinc/00/45/47/1039004547.db2.gz ATPMMKQNJKXWKJ-NJDAHSKKSA-N 1 3 361.530 2.803 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](CCCCF)C2)C1=O ZINC001276668389 1039192520 /nfs/dbraw/zinc/19/25/20/1039192520.db2.gz XWCREOMQWSMCSW-TZIWHRDSSA-N 1 3 361.505 2.616 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](CCCCF)C2)C1=O ZINC001276668389 1039192535 /nfs/dbraw/zinc/19/25/35/1039192535.db2.gz XWCREOMQWSMCSW-TZIWHRDSSA-N 1 3 361.505 2.616 20 0 FFADHO O[C@@H](CN[C@H](C1CC1)C1C[NH2+]C1)COc1cccc2[nH]c3ccccc3c21 ZINC001246018930 1039194207 /nfs/dbraw/zinc/19/42/07/1039194207.db2.gz HNRYDICEKZQADC-KSFYIVLOSA-N 1 3 365.477 2.648 20 0 FFADHO COc1ccccc1CC1CC[NH+](C[C@@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC001246036899 1039210898 /nfs/dbraw/zinc/21/08/98/1039210898.db2.gz COPBUIRKKBRZOR-FCHUYYIVSA-N 1 3 368.521 2.881 20 0 FFADHO COc1ccccc1CC1CCN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001246036899 1039210915 /nfs/dbraw/zinc/21/09/15/1039210915.db2.gz COPBUIRKKBRZOR-FCHUYYIVSA-N 1 3 368.521 2.881 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001246046380 1039213381 /nfs/dbraw/zinc/21/33/81/1039213381.db2.gz PNDZZZLFHPDPII-BHIFYINESA-N 1 3 354.494 2.599 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001246046380 1039213392 /nfs/dbraw/zinc/21/33/92/1039213392.db2.gz PNDZZZLFHPDPII-BHIFYINESA-N 1 3 354.494 2.599 20 0 FFADHO c1ccc(CCN2CCC([NH2+][C@H]3CCN(C4CCOCC4)C3)CC2)cc1 ZINC001258137602 1039214913 /nfs/dbraw/zinc/21/49/13/1039214913.db2.gz IFAQBZKDHLRFAG-NRFANRHFSA-N 1 3 357.542 2.536 20 0 FFADHO COc1cccc([C@@H]2CCC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC001246049847 1039219851 /nfs/dbraw/zinc/21/98/51/1039219851.db2.gz BYZIAELWYNVBSJ-BAGYTPMASA-N 1 3 354.494 2.806 20 0 FFADHO COc1cccc([C@@H]2CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC001246049847 1039219861 /nfs/dbraw/zinc/21/98/61/1039219861.db2.gz BYZIAELWYNVBSJ-BAGYTPMASA-N 1 3 354.494 2.806 20 0 FFADHO COc1cccc(OC)c1CN1CCC(NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246106019 1039243275 /nfs/dbraw/zinc/24/32/75/1039243275.db2.gz COEDCDUFZYRIHT-AEFFLSMTSA-N 1 3 361.530 2.646 20 0 FFADHO COc1cccc(OC)c1CN1CCC([NH2+]C[C@@H]2CC[C@@H](C)CN2)CC1 ZINC001246106019 1039243290 /nfs/dbraw/zinc/24/32/90/1039243290.db2.gz COEDCDUFZYRIHT-AEFFLSMTSA-N 1 3 361.530 2.646 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cccnc1C(F)(F)F)C2 ZINC001278432441 1039252399 /nfs/dbraw/zinc/25/23/99/1039252399.db2.gz KIAOHNDGSLLLPH-SFHVURJKSA-N 1 3 370.463 2.950 20 0 FFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001251742946 1039282452 /nfs/dbraw/zinc/28/24/52/1039282452.db2.gz MBMWRSIDSZWLEF-NRFANRHFSA-N 1 3 369.509 2.632 20 0 FFADHO C[C@@H]1CC(N[C@H]2Cc3ccc(I)cc3C2)C[C@@H](C)[NH2+]1 ZINC001246270284 1039292738 /nfs/dbraw/zinc/29/27/38/1039292738.db2.gz LOYUPXHIIZEMPT-UVWXRNBGSA-N 1 3 370.278 2.877 20 0 FFADHO C[C@@H]1CC([NH2+][C@H]2Cc3ccc(I)cc3C2)C[C@@H](C)N1 ZINC001246270284 1039292745 /nfs/dbraw/zinc/29/27/45/1039292745.db2.gz LOYUPXHIIZEMPT-UVWXRNBGSA-N 1 3 370.278 2.877 20 0 FFADHO C[C@@H]1CC[C@H](NC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246294279 1039302650 /nfs/dbraw/zinc/30/26/50/1039302650.db2.gz MJMPQEZHGWZXIF-OIBXWCBGSA-N 1 3 367.537 2.780 20 0 FFADHO CCCC[C@H](CC)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246409083 1039343435 /nfs/dbraw/zinc/34/34/35/1039343435.db2.gz AOUSLBGCOHXEQQ-GRUVHVDGSA-N 1 3 356.551 2.847 20 0 FFADHO O[C@H](COc1ccc(F)cc1)C[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001251925299 1039358069 /nfs/dbraw/zinc/35/80/69/1039358069.db2.gz JRMMIUAJYWHRDL-ZJOUEHCJSA-N 1 3 370.468 2.629 20 0 FFADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246458822 1039362436 /nfs/dbraw/zinc/36/24/36/1039362436.db2.gz CHLMFWIDLNRYEE-NNJGLYRFSA-N 1 3 356.510 2.917 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001210179231 1039422261 /nfs/dbraw/zinc/42/22/61/1039422261.db2.gz KNUKLZHRQGYSJB-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001210179231 1039422271 /nfs/dbraw/zinc/42/22/71/1039422271.db2.gz KNUKLZHRQGYSJB-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO Brc1ccc2c(c1)C[C@@H](N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CC2 ZINC001246632573 1039422705 /nfs/dbraw/zinc/42/27/05/1039422705.db2.gz XMCFKYDAGOZHFK-FHLIZLRMSA-N 1 3 365.315 2.617 20 0 FFADHO C[C@@H]1C[C@H](N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CC[NH2+]1 ZINC001246721177 1039450254 /nfs/dbraw/zinc/45/02/54/1039450254.db2.gz KFSVNUMREWAAEY-KZNAEPCWSA-N 1 3 363.571 2.944 20 0 FFADHO C[C@@H]1CC[C@H](N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C[NH2+]1 ZINC001246721269 1039451270 /nfs/dbraw/zinc/45/12/70/1039451270.db2.gz KYKGCXMWRXBBJA-SQNIBIBYSA-N 1 3 363.571 2.944 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3cccnc3)cc2)CC1 ZINC001258611970 1039454877 /nfs/dbraw/zinc/45/48/77/1039454877.db2.gz QWCDMMDJTVYQGI-LJQANCHMSA-N 1 3 352.526 2.940 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)CCN1 ZINC001246744461 1039458258 /nfs/dbraw/zinc/45/82/58/1039458258.db2.gz AYWMDCWQZDSJMQ-CWJKEVGVSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)CCN1 ZINC001246744461 1039458269 /nfs/dbraw/zinc/45/82/69/1039458269.db2.gz AYWMDCWQZDSJMQ-CWJKEVGVSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)CC[NH2+]1 ZINC001246744461 1039458276 /nfs/dbraw/zinc/45/82/76/1039458276.db2.gz AYWMDCWQZDSJMQ-CWJKEVGVSA-N 1 3 359.514 2.610 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c2ccccc21 ZINC001246765960 1039472130 /nfs/dbraw/zinc/47/21/30/1039472130.db2.gz OGNAJWUZKOLWJE-KURKYZTESA-N 1 3 355.526 2.784 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c2ccccc21 ZINC001246765960 1039472137 /nfs/dbraw/zinc/47/21/37/1039472137.db2.gz OGNAJWUZKOLWJE-KURKYZTESA-N 1 3 355.526 2.784 20 0 FFADHO CC(C)[C@@H]1C[C@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246769583 1039473023 /nfs/dbraw/zinc/47/30/23/1039473023.db2.gz JOWDIAKUCHMYEE-MOPGFXCFSA-N 1 3 359.562 2.898 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+]([C@@H](C)CSc3ccc(F)cc3)C[C@H]1CNCC2 ZINC001246855814 1039505534 /nfs/dbraw/zinc/50/55/34/1039505534.db2.gz QFHCNTKCPMRWEX-QMTMVMCOSA-N 1 3 366.502 2.781 20 0 FFADHO CCOC(=O)[C@]12C[N@H+]([C@@H](C)CSc3ccc(F)cc3)C[C@H]1CNCC2 ZINC001246855814 1039505542 /nfs/dbraw/zinc/50/55/42/1039505542.db2.gz QFHCNTKCPMRWEX-QMTMVMCOSA-N 1 3 366.502 2.781 20 0 FFADHO CC(C)(C)OC(=O)CCN(CCC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246921537 1039534600 /nfs/dbraw/zinc/53/46/00/1039534600.db2.gz QTFNHRJKICCHQS-MRXNPFEDSA-N 1 3 370.534 2.894 20 0 FFADHO Cc1nn(C)c(C)c1CN1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278485584 1039745523 /nfs/dbraw/zinc/74/55/23/1039745523.db2.gz SCDOXVXRJBNYJK-UHFFFAOYSA-N 1 3 356.518 2.638 20 0 FFADHO Cc1nn(C)c(C)c1CN1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278485584 1039745533 /nfs/dbraw/zinc/74/55/33/1039745533.db2.gz SCDOXVXRJBNYJK-UHFFFAOYSA-N 1 3 356.518 2.638 20 0 FFADHO COc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001252887666 1039762137 /nfs/dbraw/zinc/76/21/37/1039762137.db2.gz HVJMAOCJVQROBM-FHWLQOOXSA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001252887666 1039762150 /nfs/dbraw/zinc/76/21/50/1039762150.db2.gz HVJMAOCJVQROBM-FHWLQOOXSA-N 1 3 362.514 2.774 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC001252931442 1039810800 /nfs/dbraw/zinc/81/08/00/1039810800.db2.gz KEKQOYKWBWKQAN-RXVVDRJESA-N 1 3 360.546 2.979 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC001252931442 1039810823 /nfs/dbraw/zinc/81/08/23/1039810823.db2.gz KEKQOYKWBWKQAN-RXVVDRJESA-N 1 3 360.546 2.979 20 0 FFADHO Cc1cccc(C2(CNC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001252951321 1039862279 /nfs/dbraw/zinc/86/22/79/1039862279.db2.gz RHNVRZSMHCDMHA-JOCHJYFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1cccc(C2(CNC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001252951321 1039862301 /nfs/dbraw/zinc/86/23/01/1039862301.db2.gz RHNVRZSMHCDMHA-JOCHJYFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1ccnc(C2(CNC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001252951278 1039866012 /nfs/dbraw/zinc/86/60/12/1039866012.db2.gz QMUZEOJXYHYBJG-JOCHJYFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1ccnc(C2(CNC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001252951278 1039866041 /nfs/dbraw/zinc/86/60/41/1039866041.db2.gz QMUZEOJXYHYBJG-JOCHJYFZSA-N 1 3 351.494 2.648 20 0 FFADHO c1ccc(COc2ccccc2-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247831471 1039978960 /nfs/dbraw/zinc/97/89/60/1039978960.db2.gz SUUZMPSIWUAEIX-QGZVFWFLSA-N 1 3 362.433 2.592 20 0 FFADHO C[NH+](C)CCN1CCO[C@]2(CCCN(Cc3ccccc3C(F)F)C2)C1 ZINC001278716829 1040140613 /nfs/dbraw/zinc/14/06/13/1040140613.db2.gz JJHAMSUYNQRSLL-HXUWFJFHSA-N 1 3 367.484 2.853 20 0 FFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccncc3Cl)C2)C1 ZINC001278731357 1040250923 /nfs/dbraw/zinc/25/09/23/1040250923.db2.gz GIMAUHSPFJMWFN-IBGZPJMESA-N 1 3 350.938 2.975 20 0 FFADHO CO[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001213399888 1040513556 /nfs/dbraw/zinc/51/35/56/1040513556.db2.gz PPRGRKCHMMGXGX-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001213399888 1040513571 /nfs/dbraw/zinc/51/35/71/1040513571.db2.gz PPRGRKCHMMGXGX-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO OC1(CN2CC3(C2)C[C@@H](F)CS3)CC[NH+](Cc2ccccc2)CC1 ZINC001254040343 1040542726 /nfs/dbraw/zinc/54/27/26/1040542726.db2.gz RJOXOHAHJJXXRL-QGZVFWFLSA-N 1 3 350.503 2.543 20 0 FFADHO O=C(CC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001254050035 1040549495 /nfs/dbraw/zinc/54/94/95/1040549495.db2.gz BQUDXGUARQHTGM-UHFFFAOYSA-N 1 3 352.478 2.876 20 0 FFADHO OC[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001254051066 1040552406 /nfs/dbraw/zinc/55/24/06/1040552406.db2.gz VTVSDBVPMBFEBC-FQEVSTJZSA-N 1 3 374.912 2.990 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CCCN)C2CCCCC2)CC1=O ZINC001254228492 1040625532 /nfs/dbraw/zinc/62/55/32/1040625532.db2.gz NPEIELHHFNEGHT-MRXNPFEDSA-N 1 3 353.507 2.896 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CCCN)C2CCCCC2)CC1=O ZINC001254228492 1040625533 /nfs/dbraw/zinc/62/55/33/1040625533.db2.gz NPEIELHHFNEGHT-MRXNPFEDSA-N 1 3 353.507 2.896 20 0 FFADHO C[NH+]1CCN(Cc2cccc(-c3noc([C@@H](N)CC4CCC4)n3)c2)CC1 ZINC001249231977 1040642430 /nfs/dbraw/zinc/64/24/30/1040642430.db2.gz XWQQPDJBLGCMIY-SFHVURJKSA-N 1 3 355.486 2.674 20 0 FFADHO COc1ccsc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001278780577 1040692777 /nfs/dbraw/zinc/69/27/77/1040692777.db2.gz LFWJMWOOLNKERH-UHFFFAOYSA-N 1 3 360.527 2.941 20 0 FFADHO COc1ccsc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001278780577 1040692784 /nfs/dbraw/zinc/69/27/84/1040692784.db2.gz LFWJMWOOLNKERH-UHFFFAOYSA-N 1 3 360.527 2.941 20 0 FFADHO CC(=O)N1CCC(N2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254429694 1040716829 /nfs/dbraw/zinc/71/68/29/1040716829.db2.gz LQQFMQJYMOQPFM-QFIPXVFZSA-N 1 3 355.526 2.985 20 0 FFADHO CC(=O)N1CCC(N2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254429694 1040716841 /nfs/dbraw/zinc/71/68/41/1040716841.db2.gz LQQFMQJYMOQPFM-QFIPXVFZSA-N 1 3 355.526 2.985 20 0 FFADHO CN1C(=O)[C@H](c2ccccc2)CC12CCN([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857766 1041011242 /nfs/dbraw/zinc/01/12/42/1041011242.db2.gz CKFBMSKAHYYSAP-SFTDATJTSA-N 1 3 367.537 2.951 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001213914595 1041068916 /nfs/dbraw/zinc/06/89/16/1041068916.db2.gz MVZLEQFSSYDEOW-WOJBJXKFSA-N 1 3 361.530 2.613 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001213914595 1041068934 /nfs/dbraw/zinc/06/89/34/1041068934.db2.gz MVZLEQFSSYDEOW-WOJBJXKFSA-N 1 3 361.530 2.613 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2(N4CCCC4)COC2)C3)cc1 ZINC001255127409 1041161557 /nfs/dbraw/zinc/16/15/57/1041161557.db2.gz VDVIFVVCLPGHSL-MZADTFQBSA-N 1 3 355.526 2.636 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2(N4CCCC4)COC2)C3)cc1 ZINC001255127409 1041161577 /nfs/dbraw/zinc/16/15/77/1041161577.db2.gz VDVIFVVCLPGHSL-MZADTFQBSA-N 1 3 355.526 2.636 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc4ccoc4cn3)(C1)CCC2 ZINC001278853430 1041220002 /nfs/dbraw/zinc/22/00/02/1041220002.db2.gz ULAVTJZTLYFGAG-UXHICEINSA-N 1 3 359.470 2.973 20 0 FFADHO CCCC[C@H](C)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001255327959 1041270248 /nfs/dbraw/zinc/27/02/48/1041270248.db2.gz DQEQNBNEKLNZST-SFHVURJKSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634088 1041513404 /nfs/dbraw/zinc/51/34/04/1041513404.db2.gz AXEAGSKXGZOBHC-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001214856189 1041596177 /nfs/dbraw/zinc/59/61/77/1041596177.db2.gz XWGGNTPMSARXPR-NSISKUIASA-N 1 3 365.562 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001214998218 1041639132 /nfs/dbraw/zinc/63/91/32/1041639132.db2.gz RWWXBYFPEVDORF-VQIMIIECSA-N 1 3 363.521 2.925 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001214999828 1041639762 /nfs/dbraw/zinc/63/97/62/1041639762.db2.gz PKOYMAXLMPZSJE-MDASCCDHSA-N 1 3 361.505 2.980 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1cccc(Cl)c1F ZINC001215415996 1041774940 /nfs/dbraw/zinc/77/49/40/1041774940.db2.gz LTEOOHWHOOHZEL-CZUORRHYSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001215421568 1041776308 /nfs/dbraw/zinc/77/63/08/1041776308.db2.gz GQQPVXYYKPKZLO-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1cccc(Cl)c1F ZINC001215421828 1041776627 /nfs/dbraw/zinc/77/66/27/1041776627.db2.gz OFABWCTWYYTOCQ-CZUORRHYSA-N 1 3 355.885 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC/C=C\c1ccccc1 ZINC001215541063 1041820523 /nfs/dbraw/zinc/82/05/23/1041820523.db2.gz WGCNUAMHOHTFRJ-OWBKUYILSA-N 1 3 355.526 2.868 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCC(C)C)C1 ZINC001215965255 1041918541 /nfs/dbraw/zinc/91/85/41/1041918541.db2.gz VQYKCHKNPIOXJV-WOJBJXKFSA-N 1 3 369.594 2.998 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001216511576 1042044530 /nfs/dbraw/zinc/04/45/30/1042044530.db2.gz UYKKOZYOPVGGKH-CRAIPNDOSA-N 1 3 351.922 2.661 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216773081 1042119648 /nfs/dbraw/zinc/11/96/48/1042119648.db2.gz YTXJGYCALQYEEE-UYAOXDASSA-N 1 3 358.530 2.593 20 0 FFADHO COCC[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)c1ccccc1 ZINC001216851712 1042144795 /nfs/dbraw/zinc/14/47/95/1042144795.db2.gz GPWRHSMWTPRXII-YZGWKJHDSA-N 1 3 361.530 2.541 20 0 FFADHO C[C@@H](F)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264040195 1042591477 /nfs/dbraw/zinc/59/14/77/1042591477.db2.gz DJRAFPUNAKCUHQ-ATZDWAIDSA-N 1 3 367.484 2.800 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1Cc1ncccc1C ZINC001264611536 1042743484 /nfs/dbraw/zinc/74/34/84/1042743484.db2.gz LRSWDIRIQYGJAO-CMKODMSKSA-N 1 3 358.530 2.734 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CCN1Cc1ncccc1C ZINC001264611536 1042743487 /nfs/dbraw/zinc/74/34/87/1042743487.db2.gz LRSWDIRIQYGJAO-CMKODMSKSA-N 1 3 358.530 2.734 20 0 FFADHO CCOCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1CC ZINC001264613010 1042744769 /nfs/dbraw/zinc/74/47/69/1042744769.db2.gz UTQOUAWCVKWHGW-ZWKOTPCHSA-N 1 3 353.551 2.645 20 0 FFADHO CCOCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1CC ZINC001264613010 1042744775 /nfs/dbraw/zinc/74/47/75/1042744775.db2.gz UTQOUAWCVKWHGW-ZWKOTPCHSA-N 1 3 353.551 2.645 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)nc2C)[C@@H]1CC ZINC001264623447 1042753832 /nfs/dbraw/zinc/75/38/32/1042753832.db2.gz ANROFZDIGIQNTO-VQTJNVASSA-N 1 3 360.546 2.899 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)nc2C)[C@@H]1CC ZINC001264623447 1042753835 /nfs/dbraw/zinc/75/38/35/1042753835.db2.gz ANROFZDIGIQNTO-VQTJNVASSA-N 1 3 360.546 2.899 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCN1C[C@H]1CCCCO1 ZINC001264709509 1042792562 /nfs/dbraw/zinc/79/25/62/1042792562.db2.gz XKUWJZCKYSLBGF-QRQLOZEOSA-N 1 3 365.562 2.788 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCN1C[C@H]1CCCCO1 ZINC001264709509 1042792565 /nfs/dbraw/zinc/79/25/65/1042792565.db2.gz XKUWJZCKYSLBGF-QRQLOZEOSA-N 1 3 365.562 2.788 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccc4nccn4c3)CC2)C1 ZINC001279125669 1042909610 /nfs/dbraw/zinc/90/96/10/1042909610.db2.gz JFSQCDVUAQPSMN-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccc4nccn4c3)CC2)C1 ZINC001279125669 1042909611 /nfs/dbraw/zinc/90/96/11/1042909611.db2.gz JFSQCDVUAQPSMN-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4cccc(C)n4)C[C@H]3CC2)n(C)n1 ZINC001279177328 1042933975 /nfs/dbraw/zinc/93/39/75/1042933975.db2.gz AGHNPCUPAGARPD-KDURUIRLSA-N 1 3 353.514 2.776 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4cccc(C)n4)C[C@H]3CC2)n(C)n1 ZINC001279177328 1042933976 /nfs/dbraw/zinc/93/39/76/1042933976.db2.gz AGHNPCUPAGARPD-KDURUIRLSA-N 1 3 353.514 2.776 20 0 FFADHO c1cn(CCN2CC3(C2)CC[NH+](CC2Cc4ccccc4C2)CC3)cn1 ZINC001279255523 1042969428 /nfs/dbraw/zinc/96/94/28/1042969428.db2.gz GXLZRQMVQHZVGB-UHFFFAOYSA-N 1 3 350.510 2.696 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc3nccc(Cl)c3c2)CCC12C[NH2+]C2 ZINC001237429093 1043155307 /nfs/dbraw/zinc/15/53/07/1043155307.db2.gz CUFUWNSVOSVJSS-MRXNPFEDSA-N 1 3 373.884 2.863 20 0 FFADHO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(CN(C)C)CCCC1 ZINC001279491776 1043177628 /nfs/dbraw/zinc/17/76/28/1043177628.db2.gz FYCKRZGGMCUAGF-KDURUIRLSA-N 1 3 359.562 2.674 20 0 FFADHO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(CN(C)C)CCCC1 ZINC001279491776 1043177629 /nfs/dbraw/zinc/17/76/29/1043177629.db2.gz FYCKRZGGMCUAGF-KDURUIRLSA-N 1 3 359.562 2.674 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cccc4nccn43)C2)C1 ZINC001279494733 1043182689 /nfs/dbraw/zinc/18/26/89/1043182689.db2.gz LZTAMVMWYPYGMV-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cccc4nccn43)C2)C1 ZINC001279494733 1043182693 /nfs/dbraw/zinc/18/26/93/1043182693.db2.gz LZTAMVMWYPYGMV-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3cccc4nccn43)C2)C1 ZINC001279494732 1043182946 /nfs/dbraw/zinc/18/29/46/1043182946.db2.gz LZTAMVMWYPYGMV-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cccc4nccn43)C2)C1 ZINC001279494732 1043182952 /nfs/dbraw/zinc/18/29/52/1043182952.db2.gz LZTAMVMWYPYGMV-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO COc1c(F)cc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cc1F ZINC001279562328 1043260653 /nfs/dbraw/zinc/26/06/53/1043260653.db2.gz AJQGBDZOVNDICY-HXUWFJFHSA-N 1 3 367.484 2.823 20 0 FFADHO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3)C2)s1 ZINC001279579755 1043286993 /nfs/dbraw/zinc/28/69/93/1043286993.db2.gz MHVIYHHBDDRQMZ-HXUWFJFHSA-N 1 3 373.570 2.999 20 0 FFADHO CN(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3)C2)s1 ZINC001279579755 1043287007 /nfs/dbraw/zinc/28/70/07/1043287007.db2.gz MHVIYHHBDDRQMZ-HXUWFJFHSA-N 1 3 373.570 2.999 20 0 FFADHO CCc1[nH]ncc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001237653419 1043296516 /nfs/dbraw/zinc/29/65/16/1043296516.db2.gz FYJFIXBKLJEZMN-LMNJBCLMSA-N 1 3 368.529 2.544 20 0 FFADHO CCc1[nH]ncc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001237653419 1043296520 /nfs/dbraw/zinc/29/65/20/1043296520.db2.gz FYJFIXBKLJEZMN-LMNJBCLMSA-N 1 3 368.529 2.544 20 0 FFADHO Cc1noc(C)c1NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CC(C)(C)CN(C)C ZINC001279592606 1043307073 /nfs/dbraw/zinc/30/70/73/1043307073.db2.gz ZYVIAHZWFWBAMK-HOTGVXAUSA-N 1 3 363.506 2.560 20 0 FFADHO Cc1noc(C)c1NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC(C)(C)CN(C)C ZINC001279592606 1043307079 /nfs/dbraw/zinc/30/70/79/1043307079.db2.gz ZYVIAHZWFWBAMK-HOTGVXAUSA-N 1 3 363.506 2.560 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4cc(F)ccn4)C[C@H]3CC2)[nH]1 ZINC001279629532 1043367173 /nfs/dbraw/zinc/36/71/73/1043367173.db2.gz VULLRLPCEOTUHO-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4cc(F)ccn4)C[C@H]3CC2)[nH]1 ZINC001279629532 1043367178 /nfs/dbraw/zinc/36/71/78/1043367178.db2.gz VULLRLPCEOTUHO-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(-n3ccnc3)c(Cl)c1)C2 ZINC001279659121 1043416847 /nfs/dbraw/zinc/41/68/47/1043416847.db2.gz DDOCPPRCECOLBG-MSOLQXFVSA-N 1 3 373.932 2.593 20 0 FFADHO Cc1c(CN2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)ccc(F)c1F ZINC001279690498 1043475268 /nfs/dbraw/zinc/47/52/68/1043475268.db2.gz CLFMMSJRVOTCPD-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO Cc1c(CN2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)ccc(F)c1F ZINC001279690498 1043475277 /nfs/dbraw/zinc/47/52/77/1043475277.db2.gz CLFMMSJRVOTCPD-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO Cc1cc(C(F)(F)F)c(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)cn1 ZINC001279736683 1043557950 /nfs/dbraw/zinc/55/79/50/1043557950.db2.gz FITSFYPFSMMHBN-UHFFFAOYSA-N 1 3 370.463 2.868 20 0 FFADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4ccc(F)cc4F)(C2)C3)CC1 ZINC001279829607 1043733007 /nfs/dbraw/zinc/73/30/07/1043733007.db2.gz LZWADUSQBYCOAN-UHFFFAOYSA-N 1 3 363.452 2.530 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)N1CCc2ccccc2C1 ZINC001311396195 1043907531 /nfs/dbraw/zinc/90/75/31/1043907531.db2.gz LGWLPKVXOJCZLB-WOJBJXKFSA-N 1 3 372.557 2.995 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)N1CCc2ccccc2C1 ZINC001311396195 1043907538 /nfs/dbraw/zinc/90/75/38/1043907538.db2.gz LGWLPKVXOJCZLB-WOJBJXKFSA-N 1 3 372.557 2.995 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cc(C(F)(F)F)ccc1F ZINC001239214491 1044071355 /nfs/dbraw/zinc/07/13/55/1044071355.db2.gz HFIUCARCAZCBRV-GFCCVEGCSA-N 1 3 374.382 2.840 20 0 FFADHO CN(CCC[NH3+])CCCNC(=O)NC1c2ccccc2-c2ccccc21 ZINC001239230617 1044079546 /nfs/dbraw/zinc/07/95/46/1044079546.db2.gz BFZKRCKLYLHJRM-UHFFFAOYSA-N 1 3 352.482 2.726 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2 ZINC001312741982 1044165181 /nfs/dbraw/zinc/16/51/81/1044165181.db2.gz KLQBALRWQJPVKL-FXAWDEMLSA-N 1 3 360.546 2.944 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2 ZINC001312741982 1044165183 /nfs/dbraw/zinc/16/51/83/1044165183.db2.gz KLQBALRWQJPVKL-FXAWDEMLSA-N 1 3 360.546 2.944 20 0 FFADHO Cc1cc(CN2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)ccc1Cl ZINC001280101565 1044210086 /nfs/dbraw/zinc/21/00/86/1044210086.db2.gz ZPPJVBPPSUVALE-OXQOHEQNSA-N 1 3 361.917 2.681 20 0 FFADHO O=C(Nc1ccc2ccccc2n1)[C@@]12C[C@@H]1CCN2CC1CC[NH2+]CC1 ZINC001280138143 1044281575 /nfs/dbraw/zinc/28/15/75/1044281575.db2.gz UBLQMGHFSVDVNN-LAUBAEHRSA-N 1 3 350.466 2.637 20 0 FFADHO CN1CCN(Cc2cccc(-c3cccc(CN4CC[C@H]([NH3+])C4)c3)c2)CC1 ZINC001240303576 1044307353 /nfs/dbraw/zinc/30/73/53/1044307353.db2.gz HHUMEKWYMBKGAP-QHCPKHFHSA-N 1 3 364.537 2.634 20 0 FFADHO Cc1nc(-c2ccc(CN3CCN(C)CC3)cc2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001240396225 1044327627 /nfs/dbraw/zinc/32/76/27/1044327627.db2.gz PJWQGYPOEABENX-FQEVSTJZSA-N 1 3 365.525 2.666 20 0 FFADHO CN1CCN(Cc2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001240401536 1044330754 /nfs/dbraw/zinc/33/07/54/1044330754.db2.gz FUHDLCVOFXLCHZ-UHFFFAOYSA-N 1 3 364.537 2.506 20 0 FFADHO O=c1cccc(CN2CC[C@@]3(C2)CCC[N@H+](CCN2CCCCC2)C3)[nH]1 ZINC001280263656 1044497607 /nfs/dbraw/zinc/49/76/07/1044497607.db2.gz ZGIXIESINSVECN-NRFANRHFSA-N 1 3 358.530 2.561 20 0 FFADHO O=c1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](CCN2CCCCC2)C3)[nH]1 ZINC001280263656 1044497612 /nfs/dbraw/zinc/49/76/12/1044497612.db2.gz ZGIXIESINSVECN-NRFANRHFSA-N 1 3 358.530 2.561 20 0 FFADHO CC(C)CCN1CCC([NH+]2CCC(C(=O)Nc3nccn3C)CC2)CC1 ZINC001280265785 1044499308 /nfs/dbraw/zinc/49/93/08/1044499308.db2.gz REVPLTIAKXGHRG-UHFFFAOYSA-N 1 3 361.534 2.581 20 0 FFADHO CCN1CCN(c2ccc(-c3cc(N4CCOCC4)cc[nH+]3)cc2)CC1 ZINC001241741129 1044583818 /nfs/dbraw/zinc/58/38/18/1044583818.db2.gz WVDKSWCGCAMWRH-UHFFFAOYSA-N 1 3 352.482 2.727 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@@H]2C1)CC(C)(C)C ZINC001316756857 1044914622 /nfs/dbraw/zinc/91/46/22/1044914622.db2.gz KIAROGSWTZVLAS-SJORKVTESA-N 1 3 371.516 2.790 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]2C1)CC(C)(C)C ZINC001316756857 1044914632 /nfs/dbraw/zinc/91/46/32/1044914632.db2.gz KIAROGSWTZVLAS-SJORKVTESA-N 1 3 371.516 2.790 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCOc1ccc(Cl)cc1 ZINC001316790880 1044985840 /nfs/dbraw/zinc/98/58/40/1044985840.db2.gz QJSFUGPJTMASBJ-QAPCUYQASA-N 1 3 367.921 2.640 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2cccnc2C)C2CC2)CC[N@@H+]1C ZINC001316916764 1045041335 /nfs/dbraw/zinc/04/13/35/1045041335.db2.gz QXEPQKCTZMMKCP-VQTJNVASSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2cccnc2C)C2CC2)CC[N@H+]1C ZINC001316916764 1045041348 /nfs/dbraw/zinc/04/13/48/1045041348.db2.gz QXEPQKCTZMMKCP-VQTJNVASSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccccc2OC(C)C)CC[N@@H+]1C ZINC001317243283 1045069519 /nfs/dbraw/zinc/06/95/19/1045069519.db2.gz WUDNUSZLLVNKLB-YTQUADARSA-N 1 3 361.530 2.798 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccccc2OC(C)C)CC[N@H+]1C ZINC001317243283 1045069532 /nfs/dbraw/zinc/06/95/32/1045069532.db2.gz WUDNUSZLLVNKLB-YTQUADARSA-N 1 3 361.530 2.798 20 0 FFADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC001319283480 1045095900 /nfs/dbraw/zinc/09/59/00/1045095900.db2.gz PIMIHYSJUBZJBB-IAGOWNOFSA-N 1 3 365.543 2.609 20 0 FFADHO Cc1nsc(C)c1CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319608512 1045211699 /nfs/dbraw/zinc/21/16/99/1045211699.db2.gz ISXANCWCSPDWSN-DJIMGWMZSA-N 1 3 366.575 2.721 20 0 FFADHO Cc1nsc(C)c1CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319608512 1045211710 /nfs/dbraw/zinc/21/17/10/1045211710.db2.gz ISXANCWCSPDWSN-DJIMGWMZSA-N 1 3 366.575 2.721 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC001319829016 1045281491 /nfs/dbraw/zinc/28/14/91/1045281491.db2.gz PHPQWGNXBVNVKX-FPOVZHCZSA-N 1 3 356.558 2.745 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC001319829016 1045281496 /nfs/dbraw/zinc/28/14/96/1045281496.db2.gz PHPQWGNXBVNVKX-FPOVZHCZSA-N 1 3 356.558 2.745 20 0 FFADHO C[C@H]1CN(Cc2ccccc2N2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001319829016 1045281500 /nfs/dbraw/zinc/28/15/00/1045281500.db2.gz PHPQWGNXBVNVKX-FPOVZHCZSA-N 1 3 356.558 2.745 20 0 FFADHO CN(CCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)C(=O)[C@H]1CCCN1C ZINC001322441357 1046086136 /nfs/dbraw/zinc/08/61/36/1046086136.db2.gz BHVHWQLREVAQHM-KSZLIROESA-N 1 3 365.468 2.568 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCCC[C@@H]3[NH3+])CC2)c1 ZINC001326688817 1047036099 /nfs/dbraw/zinc/03/60/99/1047036099.db2.gz YFMYYJLNUUUABO-RTWAWAEBSA-N 1 3 372.557 2.531 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327470690 1047910490 /nfs/dbraw/zinc/91/04/90/1047910490.db2.gz OHXHWXLQGWBBSH-FQEVSTJZSA-N 1 3 370.541 2.999 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)N(C)C)cc1 ZINC001331877806 1048151206 /nfs/dbraw/zinc/15/12/06/1048151206.db2.gz YUXBKHKCNUHRMQ-AQNXPRMDSA-N 1 3 374.529 2.612 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)Oc3ccccc3)CC2)CC1 ZINC001329966762 1048987813 /nfs/dbraw/zinc/98/78/13/1048987813.db2.gz MHZVFSUBYVPZKD-UHFFFAOYSA-N 1 3 359.514 2.519 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001316653410 1049569558 /nfs/dbraw/zinc/56/95/58/1049569558.db2.gz ZAXMBODAROBLHO-RCCFBDPRSA-N 1 3 362.518 2.540 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001316653410 1049569567 /nfs/dbraw/zinc/56/95/67/1049569567.db2.gz ZAXMBODAROBLHO-RCCFBDPRSA-N 1 3 362.518 2.540 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC1 ZINC001295028870 1049864972 /nfs/dbraw/zinc/86/49/72/1049864972.db2.gz ZNJQDODJVQIUSX-SFHVURJKSA-N 1 3 359.514 2.710 20 0 FFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)c1 ZINC001341744093 1050362167 /nfs/dbraw/zinc/36/21/67/1050362167.db2.gz VXAFWRDIWVIHMK-GOSISDBHSA-N 1 3 366.465 2.521 20 0 FFADHO Cn1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001340632439 1051008467 /nfs/dbraw/zinc/00/84/67/1051008467.db2.gz VGKYYKAQIFNFMT-FXAWDEMLSA-N 1 3 368.481 2.753 20 0 FFADHO Cn1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)ccc1[C@H]1CCCC[NH2+]1 ZINC001340632572 1051009436 /nfs/dbraw/zinc/00/94/36/1051009436.db2.gz VGKYYKAQIFNFMT-YLJYHZDGSA-N 1 3 368.481 2.753 20 0 FFADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001303179690 1051295489 /nfs/dbraw/zinc/29/54/89/1051295489.db2.gz CEXGBXMUXPVPJW-LJQANCHMSA-N 1 3 370.497 2.664 20 0 FFADHO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001303479689 1051363927 /nfs/dbraw/zinc/36/39/27/1051363927.db2.gz ZAJNUKVJZCTPBT-MJGOQNOKSA-N 1 3 361.505 2.838 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC001303801674 1051450861 /nfs/dbraw/zinc/45/08/61/1051450861.db2.gz PPSFOQZERQXVGC-QGPMSJSTSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001303801674 1051450867 /nfs/dbraw/zinc/45/08/67/1051450867.db2.gz PPSFOQZERQXVGC-QGPMSJSTSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC001303801674 1051450870 /nfs/dbraw/zinc/45/08/70/1051450870.db2.gz PPSFOQZERQXVGC-QGPMSJSTSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC001303801674 1051450875 /nfs/dbraw/zinc/45/08/75/1051450875.db2.gz PPSFOQZERQXVGC-QGPMSJSTSA-N 1 3 369.431 2.650 20 0 FFADHO COC/C(C)=C\C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001307503731 1052314710 /nfs/dbraw/zinc/31/47/10/1052314710.db2.gz KPVMJWSYHILKMD-OCKHKDLRSA-N 1 3 373.541 2.539 20 0 FFADHO CN(C)C[C@@H](NC(=O)COc1ccc(CCC[NH3+])cc1)c1ccc(F)cc1 ZINC001343807213 1052430369 /nfs/dbraw/zinc/43/03/69/1052430369.db2.gz OTSLLQJICGZHJN-HXUWFJFHSA-N 1 3 373.472 2.515 20 0 FFADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1ccccc1N1CCCCC1 ZINC001308235479 1052435139 /nfs/dbraw/zinc/43/51/39/1052435139.db2.gz AOCNMQPRBLSDLF-OAQYLSRUSA-N 1 3 372.557 2.709 20 0 FFADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCc1ccccc1N1CCCCC1 ZINC001308235479 1052435141 /nfs/dbraw/zinc/43/51/41/1052435141.db2.gz AOCNMQPRBLSDLF-OAQYLSRUSA-N 1 3 372.557 2.709 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001345561238 1052511703 /nfs/dbraw/zinc/51/17/03/1052511703.db2.gz UFKLGYOHKPRXGG-JQVVWYNYSA-N 1 3 363.461 2.593 20 0 FFADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)CC1 ZINC001345724157 1052588604 /nfs/dbraw/zinc/58/86/04/1052588604.db2.gz KEAORTGWBYQJNG-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001346724277 1053261588 /nfs/dbraw/zinc/26/15/88/1053261588.db2.gz AUCONFDZJUVVIV-WOLZCAMPSA-N 1 3 356.514 2.562 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001335352027 1053312455 /nfs/dbraw/zinc/31/24/55/1053312455.db2.gz VPYXZNFFMQUZBT-GASCZTMLSA-N 1 3 369.456 2.772 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2nc1Cl ZINC001347109322 1053627955 /nfs/dbraw/zinc/62/79/55/1053627955.db2.gz JVBMBWFSIVEWFU-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2nc1Cl ZINC001347109322 1053627957 /nfs/dbraw/zinc/62/79/57/1053627957.db2.gz JVBMBWFSIVEWFU-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC001336739740 1054182925 /nfs/dbraw/zinc/18/29/25/1054182925.db2.gz QORUGCZZFNDEHD-LBTNJELSSA-N 1 3 358.885 2.992 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)N(C)C)cc1 ZINC001336894679 1054321152 /nfs/dbraw/zinc/32/11/52/1054321152.db2.gz VCMNZAWUCYJVJT-KYJSFNMBSA-N 1 3 364.559 2.638 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]C[C@@H](O)CCc3ccccc3)c2)CC1 ZINC001348957908 1055018809 /nfs/dbraw/zinc/01/88/09/1055018809.db2.gz MOIAKIXTAQTQJN-QHCPKHFHSA-N 1 3 367.537 2.517 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCN(Cc4ccccc4F)C3=O)C[C@H]2C1 ZINC001356058010 1055251975 /nfs/dbraw/zinc/25/19/75/1055251975.db2.gz WFMAAMDPWKYWIK-QXAKKESOSA-N 1 3 374.504 2.683 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@H](O)CC1(O)CCCC1)c1ccccc1O2 ZINC001338448839 1055524932 /nfs/dbraw/zinc/52/49/32/1055524932.db2.gz IQQFSQJWYDMYBM-MJGOQNOKSA-N 1 3 374.525 2.620 20 0 FFADHO [NH2+]=C(NC[C@@H](O)c1ccccc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000849059310 1055613669 /nfs/dbraw/zinc/61/36/69/1055613669.db2.gz JNEGVYCKHVXPHF-HXUWFJFHSA-N 1 3 370.472 2.638 20 0 FFADHO O[C@@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC001357241507 1055838708 /nfs/dbraw/zinc/83/87/08/1055838708.db2.gz IMUKTURNHVTHOQ-MJBXVCDLSA-N 1 3 359.297 2.950 20 0 FFADHO CN(C)CCN(C(=O)c1cnc(CC2CC[NH2+]CC2)s1)C1CCCC1 ZINC001357488409 1055922109 /nfs/dbraw/zinc/92/21/09/1055922109.db2.gz ZEPPFTLBAPUHRF-UHFFFAOYSA-N 1 3 364.559 2.632 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001357518333 1055931200 /nfs/dbraw/zinc/93/12/00/1055931200.db2.gz VCTNXOVLFNIEKV-HOCLYGCPSA-N 1 3 369.431 2.555 20 0 FFADHO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@@H]3CCCN(C)C3)n2C)CC1 ZINC001350840434 1055964564 /nfs/dbraw/zinc/96/45/64/1055964564.db2.gz CXQZFPDAQYBJKB-GOSISDBHSA-N 1 3 374.577 2.859 20 0 FFADHO Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001350843003 1055966067 /nfs/dbraw/zinc/96/60/67/1055966067.db2.gz SKACYZOKNGAJEL-RTBURBONSA-N 1 3 374.577 2.717 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)OCC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000847824511 1058168722 /nfs/dbraw/zinc/16/87/22/1058168722.db2.gz QKAVKUNQRYPUEI-SFHVURJKSA-N 1 3 359.514 2.716 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)OCC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000847824511 1058168727 /nfs/dbraw/zinc/16/87/27/1058168727.db2.gz QKAVKUNQRYPUEI-SFHVURJKSA-N 1 3 359.514 2.716 20 0 FFADHO S=C(NCCN1CCCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001200438148 1058176110 /nfs/dbraw/zinc/17/61/10/1058176110.db2.gz RDLPCEYRESWVGX-UHFFFAOYSA-N 1 3 374.598 2.849 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC001446037374 1058472680 /nfs/dbraw/zinc/47/26/80/1058472680.db2.gz QXDKMIIVRXZNQA-FQEVSTJZSA-N 1 3 373.541 2.950 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC001446037374 1058472702 /nfs/dbraw/zinc/47/27/02/1058472702.db2.gz QXDKMIIVRXZNQA-FQEVSTJZSA-N 1 3 373.541 2.950 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC001446037375 1058473687 /nfs/dbraw/zinc/47/36/87/1058473687.db2.gz QXDKMIIVRXZNQA-HXUWFJFHSA-N 1 3 373.541 2.950 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC001446037375 1058473698 /nfs/dbraw/zinc/47/36/98/1058473698.db2.gz QXDKMIIVRXZNQA-HXUWFJFHSA-N 1 3 373.541 2.950 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2sc(C)nc2C)CC[N@@H+]1C ZINC001502246353 1058790755 /nfs/dbraw/zinc/79/07/55/1058790755.db2.gz QRVKDVKGBGFPIG-DLBZAZTESA-N 1 3 366.575 2.771 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2sc(C)nc2C)CC[N@H+]1C ZINC001502246353 1058790770 /nfs/dbraw/zinc/79/07/70/1058790770.db2.gz QRVKDVKGBGFPIG-DLBZAZTESA-N 1 3 366.575 2.771 20 0 FFADHO CC[NH+](CC)CCCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001515574513 1059705120 /nfs/dbraw/zinc/70/51/20/1059705120.db2.gz IBSVJMWOKIBYGS-UHFFFAOYSA-N 1 3 362.566 2.665 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001515802063 1059802383 /nfs/dbraw/zinc/80/23/83/1059802383.db2.gz KOSLVYFJXKNSLF-DLBZAZTESA-N 1 3 350.555 2.661 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001515802063 1059802401 /nfs/dbraw/zinc/80/24/01/1059802401.db2.gz KOSLVYFJXKNSLF-DLBZAZTESA-N 1 3 350.555 2.661 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nccc4ccncc43)CC2)CC1 ZINC000848374499 1059901395 /nfs/dbraw/zinc/90/13/95/1059901395.db2.gz HUDSFEXUKVBXKG-UHFFFAOYSA-N 1 3 367.497 2.765 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1C1CCCC1 ZINC001520684866 1059959665 /nfs/dbraw/zinc/95/96/65/1059959665.db2.gz KLTVSXDPURBFLM-APWZRJJASA-N 1 3 365.587 2.679 20 0 FFADHO CC(C)Oc1cccc([C@@H](O)CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000848527836 1060223188 /nfs/dbraw/zinc/22/31/88/1060223188.db2.gz IPONHHCZRYLZJO-RTWAWAEBSA-N 1 3 362.514 2.740 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)ccc1OC ZINC000848564622 1060285545 /nfs/dbraw/zinc/28/55/45/1060285545.db2.gz PSWISBJCJNYDOT-CRAIPNDOSA-N 1 3 371.529 2.874 20 0 FFADHO CC(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001517037910 1060315456 /nfs/dbraw/zinc/31/54/56/1060315456.db2.gz ZUGIPJBLXXSKMX-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO CC(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001517037910 1060315477 /nfs/dbraw/zinc/31/54/77/1060315477.db2.gz ZUGIPJBLXXSKMX-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001355547558 1060349303 /nfs/dbraw/zinc/34/93/03/1060349303.db2.gz LLHXSHSNCZFYAL-DBXWQHBBSA-N 1 3 357.498 2.623 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H]([S@](C)=O)C2)CC1 ZINC001461803757 1061411176 /nfs/dbraw/zinc/41/11/76/1061411176.db2.gz CSORCJYJPHQSMA-WYEJZRMESA-N 1 3 363.571 2.608 20 0 FFADHO CCOc1cc(CNC[C@@H]2C[NH+]3CCC2CC3)cc(Br)c1O ZINC001462637199 1061702100 /nfs/dbraw/zinc/70/21/00/1061702100.db2.gz QZJFFELTEGKGPL-CQSZACIVSA-N 1 3 369.303 2.985 20 0 FFADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C[C@]2(C)C1 ZINC001479139751 1062244608 /nfs/dbraw/zinc/24/46/08/1062244608.db2.gz JQPCJYMFVLCBSD-URVUXULASA-N 1 3 370.541 2.634 20 0 FFADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C[C@]2(C)C1 ZINC001479139751 1062244626 /nfs/dbraw/zinc/24/46/26/1062244626.db2.gz JQPCJYMFVLCBSD-URVUXULASA-N 1 3 370.541 2.634 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001479159674 1062260748 /nfs/dbraw/zinc/26/07/48/1062260748.db2.gz XGZYELAAKXIGPX-LJQANCHMSA-N 1 3 360.546 2.989 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001479159674 1062260771 /nfs/dbraw/zinc/26/07/71/1062260771.db2.gz XGZYELAAKXIGPX-LJQANCHMSA-N 1 3 360.546 2.989 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C)CC[N@H+](Cc2ccccc2)C1 ZINC001479490230 1062476259 /nfs/dbraw/zinc/47/62/59/1062476259.db2.gz DCHYSMKVIOHQBL-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C)CC[N@@H+](Cc2ccccc2)C1 ZINC001479490230 1062476262 /nfs/dbraw/zinc/47/62/62/1062476262.db2.gz DCHYSMKVIOHQBL-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1CCc1ccns1 ZINC001479637314 1062677452 /nfs/dbraw/zinc/67/74/52/1062677452.db2.gz NRUSCYQOKLNJMN-BPQIPLTHSA-N 1 3 364.559 2.529 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CCN1CCc1ccns1 ZINC001479637314 1062677461 /nfs/dbraw/zinc/67/74/61/1062677461.db2.gz NRUSCYQOKLNJMN-BPQIPLTHSA-N 1 3 364.559 2.529 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1CCc1ccccc1F ZINC001479729293 1062964154 /nfs/dbraw/zinc/96/41/54/1062964154.db2.gz QWULVKNQWZXGEI-XLIONFOSSA-N 1 3 361.505 2.823 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001469710536 1064197151 /nfs/dbraw/zinc/19/71/51/1064197151.db2.gz ZPPYAHKALRMOPD-WSTZPKSXSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001469710536 1064197154 /nfs/dbraw/zinc/19/71/54/1064197154.db2.gz ZPPYAHKALRMOPD-WSTZPKSXSA-N 1 3 360.546 2.927 20 0 FFADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CC[N@H+](CC)C1 ZINC001470011579 1064243010 /nfs/dbraw/zinc/24/30/10/1064243010.db2.gz WWGPPILECJMBHS-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC001470011579 1064243019 /nfs/dbraw/zinc/24/30/19/1064243019.db2.gz WWGPPILECJMBHS-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)[C@@H](CN)C[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001575422797 1078139672 /nfs/dbraw/zinc/13/96/72/1078139672.db2.gz MNRHMXJRDQIIKU-INIZCTEOSA-N 1 3 357.539 2.613 20 0 FFADHO CC(C)[C@@H](C[NH3+])CN1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001575422797 1078139673 /nfs/dbraw/zinc/13/96/73/1078139673.db2.gz MNRHMXJRDQIIKU-INIZCTEOSA-N 1 3 357.539 2.613 20 0 FFADHO CC(C)N1CCC[C@@H](N2CCC3(CC2)C[C@H]([NH3+])c2ccccc2O3)C1=O ZINC001575700038 1078165192 /nfs/dbraw/zinc/16/51/92/1078165192.db2.gz NBDRKQPLHYGOPI-ZWKOTPCHSA-N 1 3 357.498 2.703 20 0 FFADHO CC(C)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@H](c1cccs1)N(C)C ZINC001575887796 1078173672 /nfs/dbraw/zinc/17/36/72/1078173672.db2.gz ULGBOCCPJAWJBM-HUUCEWRRSA-N 1 3 362.547 2.693 20 0 FFADHO CCOC(=O)CCCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001473142907 1065206113 /nfs/dbraw/zinc/20/61/13/1065206113.db2.gz BUAOAUAVWJKEGE-OALUTQOASA-N 1 3 353.551 2.600 20 0 FFADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC001474111617 1065459042 /nfs/dbraw/zinc/45/90/42/1065459042.db2.gz CVVGZIMGDYIYGT-GOSISDBHSA-N 1 3 353.466 2.522 20 0 FFADHO CCN(CC[NH2+]C1CCC(C)(N2CCOCC2)CC1)CCC(F)(F)F ZINC001474439269 1065523013 /nfs/dbraw/zinc/52/30/13/1065523013.db2.gz SWAFFXKMIKHPRJ-UHFFFAOYSA-N 1 3 365.484 2.884 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CN1Cc1ccccc1 ZINC001576617583 1078249898 /nfs/dbraw/zinc/24/98/98/1078249898.db2.gz ROUDDFRSTKHUOC-RBAQFSTRSA-N 1 3 356.514 2.562 20 0 FFADHO CC[C@H](C)c1nnc(N2CC[NH2+]CC2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001577032628 1078297000 /nfs/dbraw/zinc/29/70/00/1078297000.db2.gz SHNGSIRKHHKNBX-IRXDYDNUSA-N 1 3 372.517 2.631 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCCC[NH2+]1)c1ccsc1 ZINC001577680991 1078387305 /nfs/dbraw/zinc/38/73/05/1078387305.db2.gz INDPWDUMNKZAAV-DLBZAZTESA-N 1 3 352.548 2.962 20 0 FFADHO CCN(CC)[C@H](Cn1c(C)nnc1N1CC[NH2+][C@@H](C)C1)c1ccsc1 ZINC001577684988 1078387513 /nfs/dbraw/zinc/38/75/13/1078387513.db2.gz RDSYCXFXORIRIO-WMLDXEAASA-N 1 3 362.547 2.529 20 0 FFADHO CCN(CC)[C@H](Cn1c(C2CC2)nnc1N1CC[NH2+][C@H](C)C1)c1ccco1 ZINC001577684538 1078387739 /nfs/dbraw/zinc/38/77/39/1078387739.db2.gz CTXLPFSBNBOELZ-NVXWUHKLSA-N 1 3 372.517 2.630 20 0 FFADHO CCN(CC)[C@H](Cn1c(C)nnc1N1CC[C@H]([NH2+]C)C1)c1ccsc1 ZINC001577685138 1078387804 /nfs/dbraw/zinc/38/78/04/1078387804.db2.gz TZTXCZXDUCIPJI-DLBZAZTESA-N 1 3 362.547 2.529 20 0 FFADHO CC[C@@H](N)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001578221550 1078452974 /nfs/dbraw/zinc/45/29/74/1078452974.db2.gz DHSSQOOZHJNSRP-HZPDHXFCSA-N 1 3 357.420 2.637 20 0 FFADHO CC[C@@H](N)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001578221550 1078452975 /nfs/dbraw/zinc/45/29/75/1078452975.db2.gz DHSSQOOZHJNSRP-HZPDHXFCSA-N 1 3 357.420 2.637 20 0 FFADHO CN(C)[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC001578407685 1078470556 /nfs/dbraw/zinc/47/05/56/1078470556.db2.gz BALHQVCJAVHSKE-ROUUACIJSA-N 1 3 372.492 2.525 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC001578418765 1078471719 /nfs/dbraw/zinc/47/17/19/1078471719.db2.gz HHDMNOJRQGEADB-HXUWFJFHSA-N 1 3 353.466 2.704 20 0 FFADHO Cc1nnc(N2CCC[C@H]([C@@H](C)[NH3+])C2)n1C[C@@H](c1cccs1)N(C)C ZINC001579906476 1078712618 /nfs/dbraw/zinc/71/26/18/1078712618.db2.gz USIGAAKFRSWXFC-KBMXLJTQSA-N 1 3 362.547 2.515 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC001580184390 1078761905 /nfs/dbraw/zinc/76/19/05/1078761905.db2.gz XFBPMVJGDPLNGR-WOJBJXKFSA-N 1 3 359.514 2.880 20 0 FFADHO CN1C(=O)C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]1c1cccnc1 ZINC001549033628 1073602414 /nfs/dbraw/zinc/60/24/14/1073602414.db2.gz AVMMXKKQRLNQIM-GCJKJVERSA-N 1 3 370.541 2.988 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 ZINC001549036013 1073605053 /nfs/dbraw/zinc/60/50/53/1073605053.db2.gz OOKQKAGRYOSLNJ-UTKZUKDTSA-N 1 3 370.541 2.986 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc(Cl)n1 ZINC001549210339 1073692077 /nfs/dbraw/zinc/69/20/77/1073692077.db2.gz YMICSBPYDIUBMY-KURKYZTESA-N 1 3 372.900 2.695 20 0 FFADHO Cc1noc([C@@H]2CCCO[C@@H]2C2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC001550549760 1074352943 /nfs/dbraw/zinc/35/29/43/1074352943.db2.gz YCTDQQLQZWFSMI-IPMKNSEASA-N 1 3 362.518 2.837 20 0 FFADHO CC1(N2CCOCC2)CCC(NC(=O)Nc2ccc([C@@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC001550705868 1074442544 /nfs/dbraw/zinc/44/25/44/1074442544.db2.gz KJIFFUGDTIBYBW-JMDAGXMHSA-N 1 3 372.513 2.656 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC001551237416 1074658115 /nfs/dbraw/zinc/65/81/15/1074658115.db2.gz IFYILKZYXGOJOT-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC001551238081 1074658267 /nfs/dbraw/zinc/65/82/67/1074658267.db2.gz IPKYRVHDCBGECI-UHFFFAOYSA-N 1 3 372.557 2.669 20 0 FFADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccccc1-n1ccnn1 ZINC001551398389 1074716489 /nfs/dbraw/zinc/71/64/89/1074716489.db2.gz CHQPGEBJJCNICQ-MPQSDHOMSA-N 1 3 369.513 2.951 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CCN1Cc1ccccc1 ZINC001551548882 1074753223 /nfs/dbraw/zinc/75/32/23/1074753223.db2.gz GJHMCXFWFZPXQQ-LIEGOMBTSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC001551574180 1074759811 /nfs/dbraw/zinc/75/98/11/1074759811.db2.gz YVDZLSYXCOUYPG-ACIXJAQOSA-N 1 3 370.541 2.810 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC001551895642 1074857333 /nfs/dbraw/zinc/85/73/33/1074857333.db2.gz SROFUXLBWQWDPH-UHFFFAOYSA-N 1 3 370.541 2.527 20 0 FFADHO CN1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC001553199470 1075255568 /nfs/dbraw/zinc/25/55/68/1075255568.db2.gz CZHCLGRQKVMTDT-ONUIULTDSA-N 1 3 370.541 2.804 20 0 FFADHO COC(=O)C[C@H](Cc1ccccc1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001561037280 1076323463 /nfs/dbraw/zinc/32/34/63/1076323463.db2.gz CIWGEJQQBIMMAP-FUHYEJFZSA-N 1 3 374.525 2.784 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC001563410445 1076552669 /nfs/dbraw/zinc/55/26/69/1076552669.db2.gz UCIRRZSNIFNDCZ-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC001563410445 1076552672 /nfs/dbraw/zinc/55/26/72/1076552672.db2.gz UCIRRZSNIFNDCZ-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC001563470044 1076558545 /nfs/dbraw/zinc/55/85/45/1076558545.db2.gz WHOYRLJVKDYFER-UHFFFAOYSA-N 1 3 360.546 2.712 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC001563470044 1076558550 /nfs/dbraw/zinc/55/85/50/1076558550.db2.gz WHOYRLJVKDYFER-UHFFFAOYSA-N 1 3 360.546 2.712 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CCN1Cc1ccccc1 ZINC001564881575 1076667469 /nfs/dbraw/zinc/66/74/69/1076667469.db2.gz XLTUPXLJFSHQHP-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CCN1Cc1ccccc1 ZINC001564881575 1076667472 /nfs/dbraw/zinc/66/74/72/1076667472.db2.gz XLTUPXLJFSHQHP-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001565226179 1076699703 /nfs/dbraw/zinc/69/97/03/1076699703.db2.gz HHWVAQNSZVEOGO-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001565226179 1076699707 /nfs/dbraw/zinc/69/97/07/1076699707.db2.gz HHWVAQNSZVEOGO-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCOc2ccccc2C)CC[N@@H+]1C ZINC001569117680 1077129472 /nfs/dbraw/zinc/12/94/72/1077129472.db2.gz FVEDBBUBDAVHQX-CEXWTWQISA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCOc2ccccc2C)CC[N@H+]1C ZINC001569117680 1077129474 /nfs/dbraw/zinc/12/94/74/1077129474.db2.gz FVEDBBUBDAVHQX-CEXWTWQISA-N 1 3 361.530 2.541 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103303215 250144797 /nfs/dbraw/zinc/14/47/97/250144797.db2.gz VLMXURCTFZKMQJ-UHFFFAOYSA-N 1 3 372.557 2.991 20 0 FFADHO Cc1ccc(C(C)(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000103077379 250134526 /nfs/dbraw/zinc/13/45/26/250134526.db2.gz JAFYOGNLOOLOCE-UHFFFAOYSA-N 1 3 357.542 2.947 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000153519895 251148660 /nfs/dbraw/zinc/14/86/60/251148660.db2.gz AYPLIGSGTFKEOK-LEWJYISDSA-N 1 3 373.541 2.829 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192592778 251294311 /nfs/dbraw/zinc/29/43/11/251294311.db2.gz NYWJOVDEEAJHCF-GOSISDBHSA-N 1 3 355.526 2.984 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000192530446 251284054 /nfs/dbraw/zinc/28/40/54/251284054.db2.gz XFNKBBMGWBCVPM-UHFFFAOYSA-N 1 3 365.587 2.729 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000267369504 251335542 /nfs/dbraw/zinc/33/55/42/251335542.db2.gz SOKKNDOWQCCOHW-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000251662454 251300358 /nfs/dbraw/zinc/30/03/58/251300358.db2.gz KVOFBGCGRNHVGV-LZLYRXPVSA-N 1 3 364.559 2.724 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000267393628 251343543 /nfs/dbraw/zinc/34/35/43/251343543.db2.gz XHDAVYXPDQCDCX-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)CCN1Cc1ccccc1 ZINC000268768970 251379499 /nfs/dbraw/zinc/37/94/99/251379499.db2.gz OZHJXEFPYWIZCE-DENIHFKCSA-N 1 3 358.574 2.655 20 0 FFADHO CCN1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272491038 252050902 /nfs/dbraw/zinc/05/09/02/252050902.db2.gz WAWYIXNIXMEGLS-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272491038 252050907 /nfs/dbraw/zinc/05/09/07/252050907.db2.gz WAWYIXNIXMEGLS-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CC1CCN(C)CC1 ZINC000273159827 252234872 /nfs/dbraw/zinc/23/48/72/252234872.db2.gz BSLPZHYBXBONTB-QZTJIDSGSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@H](NCc1ccccc1C[NH2+][C@@H](C)c1cnn(C)c1)c1cnn(C)c1 ZINC000273382497 252293410 /nfs/dbraw/zinc/29/34/10/252293410.db2.gz MWXXSAXADQZBDN-HOTGVXAUSA-N 1 3 352.486 2.855 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cccc(Br)c1 ZINC000277180484 256169139 /nfs/dbraw/zinc/16/91/39/256169139.db2.gz TUVGPXVWSIVPGF-CGTJXYLNSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cccc(Br)c1 ZINC000277180484 256169141 /nfs/dbraw/zinc/16/91/41/256169141.db2.gz TUVGPXVWSIVPGF-CGTJXYLNSA-N 1 3 367.331 2.817 20 0 FFADHO c1c[nH]c(C2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)n1 ZINC000278769742 256345943 /nfs/dbraw/zinc/34/59/43/256345943.db2.gz YQGFYCZMSGMCDN-FQEVSTJZSA-N 1 3 354.498 2.880 20 0 FFADHO c1c[nH]c(C2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)n1 ZINC000278769742 256345944 /nfs/dbraw/zinc/34/59/44/256345944.db2.gz YQGFYCZMSGMCDN-FQEVSTJZSA-N 1 3 354.498 2.880 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000286755403 257053564 /nfs/dbraw/zinc/05/35/64/257053564.db2.gz FNJPKXVNAOGRCW-FCEUIQTBSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000287520982 257093683 /nfs/dbraw/zinc/09/36/83/257093683.db2.gz IELYUVZYNDPECD-OXJNMPFZSA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287689996 257102542 /nfs/dbraw/zinc/10/25/42/257102542.db2.gz NDSFXIJMXTXIAG-WBVHZDCISA-N 1 3 360.420 2.869 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288435969 257188738 /nfs/dbraw/zinc/18/87/38/257188738.db2.gz OOQDVYCDSHOWBI-HSZRJFAPSA-N 1 3 367.537 2.985 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288435969 257188739 /nfs/dbraw/zinc/18/87/39/257188739.db2.gz OOQDVYCDSHOWBI-HSZRJFAPSA-N 1 3 367.537 2.985 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000289298428 257272521 /nfs/dbraw/zinc/27/25/21/257272521.db2.gz BAPQMUVHAMDZNH-AEFFLSMTSA-N 1 3 368.525 2.788 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000289298428 257272522 /nfs/dbraw/zinc/27/25/22/257272522.db2.gz BAPQMUVHAMDZNH-AEFFLSMTSA-N 1 3 368.525 2.788 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000289298428 257272523 /nfs/dbraw/zinc/27/25/23/257272523.db2.gz BAPQMUVHAMDZNH-AEFFLSMTSA-N 1 3 368.525 2.788 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000290251555 257322223 /nfs/dbraw/zinc/32/22/23/257322223.db2.gz ABXLVURARNCUJK-FQEVSTJZSA-N 1 3 362.493 2.627 20 0 FFADHO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)CCCN(C)CCN(C)C ZINC000289573841 257287959 /nfs/dbraw/zinc/28/79/59/257287959.db2.gz YQGQPGHCMGEVFM-UHFFFAOYSA-N 1 3 362.562 2.837 20 0 FFADHO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)CCCN(C)CCN(C)C ZINC000289573841 257287960 /nfs/dbraw/zinc/28/79/60/257287960.db2.gz YQGQPGHCMGEVFM-UHFFFAOYSA-N 1 3 362.562 2.837 20 0 FFADHO CN(C)CCOc1cc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)ccn1 ZINC000291050222 257377312 /nfs/dbraw/zinc/37/73/12/257377312.db2.gz BYJJKCNQMOEHGK-UHFFFAOYSA-N 1 3 374.451 2.528 20 0 FFADHO O=C(COc1ccccc1CNCCCCC[NH+]1CCCC1)NCC1CC1 ZINC000293174815 257535165 /nfs/dbraw/zinc/53/51/65/257535165.db2.gz WJAXRIWRLMZYNK-UHFFFAOYSA-N 1 3 373.541 2.947 20 0 FFADHO Ic1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000088174375 508355642 /nfs/dbraw/zinc/35/56/42/508355642.db2.gz YELMGVSMGZUFAO-CYBMUJFWSA-N 1 3 356.251 2.865 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000171303820 510069452 /nfs/dbraw/zinc/06/94/52/510069452.db2.gz CKMLTSSHNARCKY-GASCZTMLSA-N 1 3 352.441 2.777 20 0 FFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CCCCCN3)cc2)CC1 ZINC000375288540 512251295 /nfs/dbraw/zinc/25/12/95/512251295.db2.gz MQFYPCAVGUMPRR-FQEVSTJZSA-N 1 3 358.530 2.935 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000066192034 506444675 /nfs/dbraw/zinc/44/46/75/506444675.db2.gz ADTVUBIKNUXRAH-SJORKVTESA-N 1 3 366.575 2.990 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000066192034 506444681 /nfs/dbraw/zinc/44/46/81/506444681.db2.gz ADTVUBIKNUXRAH-SJORKVTESA-N 1 3 366.575 2.990 20 0 FFADHO CN1CCC(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000371248509 512288833 /nfs/dbraw/zinc/28/88/33/512288833.db2.gz CMQBRSUDNAIMGL-UHFFFAOYSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000371248509 512288835 /nfs/dbraw/zinc/28/88/35/512288835.db2.gz CMQBRSUDNAIMGL-UHFFFAOYSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000042929585 506680160 /nfs/dbraw/zinc/68/01/60/506680160.db2.gz KGTAPNWRDBEEJD-GOSISDBHSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000042929585 506680166 /nfs/dbraw/zinc/68/01/66/506680166.db2.gz KGTAPNWRDBEEJD-GOSISDBHSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000045029206 506908207 /nfs/dbraw/zinc/90/82/07/506908207.db2.gz UAVWNMXOTXOTGB-UHFFFAOYSA-N 1 3 358.530 2.823 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000045757311 507014260 /nfs/dbraw/zinc/01/42/60/507014260.db2.gz OFWFDVLOUCUFAI-GOSISDBHSA-N 1 3 360.546 2.989 20 0 FFADHO CCN(CC)CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000058880035 507474860 /nfs/dbraw/zinc/47/48/60/507474860.db2.gz RJDZFOHNBJHTRP-UHFFFAOYSA-N 1 3 359.436 2.937 20 0 FFADHO Cc1ccc(CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797776 507714100 /nfs/dbraw/zinc/71/41/00/507714100.db2.gz IJQXMAUNHGNKLY-UHFFFAOYSA-N 1 3 357.542 2.993 20 0 FFADHO Cc1ccc2c(CC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)coc2c1 ZINC000050802758 507715604 /nfs/dbraw/zinc/71/56/04/507715604.db2.gz FOTZMVBTDUUQFD-UHFFFAOYSA-N 1 3 369.509 2.959 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000107700816 507864079 /nfs/dbraw/zinc/86/40/79/507864079.db2.gz RJZUFQFYGPUAHW-GGPKGHCWSA-N 1 3 360.546 2.957 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000108545038 507902615 /nfs/dbraw/zinc/90/26/15/507902615.db2.gz OUSADFXNJWPSCJ-HXUWFJFHSA-N 1 3 358.530 2.814 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000073551020 507930535 /nfs/dbraw/zinc/93/05/35/507930535.db2.gz PZCGVTPOZIVJKC-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000079223948 507945808 /nfs/dbraw/zinc/94/58/08/507945808.db2.gz BGGMPIZJHPPZIT-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000079223948 507945810 /nfs/dbraw/zinc/94/58/10/507945810.db2.gz BGGMPIZJHPPZIT-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079224162 507946516 /nfs/dbraw/zinc/94/65/16/507946516.db2.gz VORNYJIYOPWQOE-RDJZCZTQSA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079224162 507946520 /nfs/dbraw/zinc/94/65/20/507946520.db2.gz VORNYJIYOPWQOE-RDJZCZTQSA-N 1 3 362.543 2.669 20 0 FFADHO NC(=O)[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000091553872 507992641 /nfs/dbraw/zinc/99/26/41/507992641.db2.gz AFAWJGCTBUAFMB-NRFANRHFSA-N 1 3 367.493 2.520 20 0 FFADHO CC(C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)C(F)(F)F ZINC000079894451 508012423 /nfs/dbraw/zinc/01/24/23/508012423.db2.gz OLOHZJZVINURPE-LBPRGKRZSA-N 1 3 371.403 2.563 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000074490751 508027762 /nfs/dbraw/zinc/02/77/62/508027762.db2.gz MGVNDZPMVPJYLR-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000074490751 508027767 /nfs/dbraw/zinc/02/77/67/508027767.db2.gz MGVNDZPMVPJYLR-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1CCCCCC1 ZINC000074530012 508032289 /nfs/dbraw/zinc/03/22/89/508032289.db2.gz BCUXFHBBEHJHNO-MRXNPFEDSA-N 1 3 360.502 2.780 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000080218391 508053052 /nfs/dbraw/zinc/05/30/52/508053052.db2.gz DSTVBELBHHTQQV-IBGZPJMESA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000074834185 508059530 /nfs/dbraw/zinc/05/95/30/508059530.db2.gz JOWIBBLEECWKAK-FQEVSTJZSA-N 1 3 358.530 2.622 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000074834185 508059533 /nfs/dbraw/zinc/05/95/33/508059533.db2.gz JOWIBBLEECWKAK-FQEVSTJZSA-N 1 3 358.530 2.622 20 0 FFADHO CC[NH+](CC)CCOC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000075007845 508076868 /nfs/dbraw/zinc/07/68/68/508076868.db2.gz BDLUKBXDDZSQFA-CEXWTWQISA-N 1 3 367.578 2.987 20 0 FFADHO CC(=O)Nc1ccccc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587502 508084713 /nfs/dbraw/zinc/08/47/13/508084713.db2.gz SWVIPZQGWZJBKT-CALCHBBNSA-N 1 3 359.514 2.966 20 0 FFADHO CC(=O)Nc1ccccc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587502 508084714 /nfs/dbraw/zinc/08/47/14/508084714.db2.gz SWVIPZQGWZJBKT-CALCHBBNSA-N 1 3 359.514 2.966 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000080670882 508093444 /nfs/dbraw/zinc/09/34/44/508093444.db2.gz SBYGCVHXEFOFGQ-CTNGQTDRSA-N 1 3 372.557 2.971 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000080670882 508093447 /nfs/dbraw/zinc/09/34/47/508093447.db2.gz SBYGCVHXEFOFGQ-CTNGQTDRSA-N 1 3 372.557 2.971 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000371402763 512379779 /nfs/dbraw/zinc/37/97/79/512379779.db2.gz BBZNZFFQHIQRAZ-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000371402763 512379785 /nfs/dbraw/zinc/37/97/85/512379785.db2.gz BBZNZFFQHIQRAZ-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000081444675 508175069 /nfs/dbraw/zinc/17/50/69/508175069.db2.gz QQZOIQIKKCJQCW-GHTZIAJQSA-N 1 3 372.557 2.631 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000081444675 508175070 /nfs/dbraw/zinc/17/50/70/508175070.db2.gz QQZOIQIKKCJQCW-GHTZIAJQSA-N 1 3 372.557 2.631 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000097428502 508224769 /nfs/dbraw/zinc/22/47/69/508224769.db2.gz NWJZASPONLZITO-OTWHNJEPSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000097428502 508224772 /nfs/dbraw/zinc/22/47/72/508224772.db2.gz NWJZASPONLZITO-OTWHNJEPSA-N 1 3 352.567 2.918 20 0 FFADHO Cc1ccc(C[C@@H]2CCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000113264322 508256085 /nfs/dbraw/zinc/25/60/85/508256085.db2.gz WJFGYHXHTHVTOX-NRFANRHFSA-N 1 3 355.526 2.745 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000084440791 508279526 /nfs/dbraw/zinc/27/95/26/508279526.db2.gz DFWKFXNPWZYPDP-MRXNPFEDSA-N 1 3 364.559 2.838 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000084440791 508279528 /nfs/dbraw/zinc/27/95/28/508279528.db2.gz DFWKFXNPWZYPDP-MRXNPFEDSA-N 1 3 364.559 2.838 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000103204737 508302340 /nfs/dbraw/zinc/30/23/40/508302340.db2.gz YWGIXUSECPTOBW-KURKYZTESA-N 1 3 361.530 2.895 20 0 FFADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085365210 508303603 /nfs/dbraw/zinc/30/36/03/508303603.db2.gz QRAZCQATJBSYCT-SFHVURJKSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000085457897 508310004 /nfs/dbraw/zinc/31/00/04/508310004.db2.gz TZFFTBFEXPAODP-GUDVDZBRSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000085457897 508310006 /nfs/dbraw/zinc/31/00/06/508310006.db2.gz TZFFTBFEXPAODP-GUDVDZBRSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000077527832 508328590 /nfs/dbraw/zinc/32/85/90/508328590.db2.gz QYKMDIPRAVENBF-GOSISDBHSA-N 1 3 370.541 2.919 20 0 FFADHO Cc1cccc2c1CC[C@@H]2NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000104796617 508347796 /nfs/dbraw/zinc/34/77/96/508347796.db2.gz LESGTDCUGUEGHD-NRFANRHFSA-N 1 3 370.541 2.840 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000105293902 508368944 /nfs/dbraw/zinc/36/89/44/508368944.db2.gz SLLSGPWMQLXUTK-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105293902 508368948 /nfs/dbraw/zinc/36/89/48/508368948.db2.gz SLLSGPWMQLXUTK-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000088483315 508372650 /nfs/dbraw/zinc/37/26/50/508372650.db2.gz JFXNJJPJXKKQBL-ROUUACIJSA-N 1 3 364.534 2.721 20 0 FFADHO c1ccc(CN2CCC([NH2+]CC3CCN(c4ccncc4)CC3)CC2)nc1 ZINC000089214651 508390902 /nfs/dbraw/zinc/39/09/02/508390902.db2.gz IDGOEOFPZNLYAD-UHFFFAOYSA-N 1 3 365.525 2.947 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000106501910 508401161 /nfs/dbraw/zinc/40/11/61/508401161.db2.gz WUPCKRKMVMXISZ-FQEVSTJZSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000106501910 508401162 /nfs/dbraw/zinc/40/11/62/508401162.db2.gz WUPCKRKMVMXISZ-FQEVSTJZSA-N 1 3 370.541 2.967 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000115785713 508436748 /nfs/dbraw/zinc/43/67/48/508436748.db2.gz JCSBUHXVUWPSGT-AZUAARDMSA-N 1 3 360.546 2.835 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000115785713 508436751 /nfs/dbraw/zinc/43/67/51/508436751.db2.gz JCSBUHXVUWPSGT-AZUAARDMSA-N 1 3 360.546 2.835 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000115820505 508442158 /nfs/dbraw/zinc/44/21/58/508442158.db2.gz VBKHGEVGDFBDRF-SFTDATJTSA-N 1 3 372.557 2.534 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000115820505 508442162 /nfs/dbraw/zinc/44/21/62/508442162.db2.gz VBKHGEVGDFBDRF-SFTDATJTSA-N 1 3 372.557 2.534 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3c(F)cc(F)cc3F)CC2)CC1 ZINC000122117965 508483338 /nfs/dbraw/zinc/48/33/38/508483338.db2.gz TVDFJOUAUUNOMM-UHFFFAOYSA-N 1 3 370.419 2.784 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000128323638 508577977 /nfs/dbraw/zinc/57/79/77/508577977.db2.gz RQGDFQMKXNDZMU-DFQSSKMNSA-N 1 3 358.530 2.538 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000128323638 508577981 /nfs/dbraw/zinc/57/79/81/508577981.db2.gz RQGDFQMKXNDZMU-DFQSSKMNSA-N 1 3 358.530 2.538 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000128329566 508578415 /nfs/dbraw/zinc/57/84/15/508578415.db2.gz HRWVZTQUHUSLEB-WIYYLYMNSA-N 1 3 372.557 2.807 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000128329566 508578420 /nfs/dbraw/zinc/57/84/20/508578420.db2.gz HRWVZTQUHUSLEB-WIYYLYMNSA-N 1 3 372.557 2.807 20 0 FFADHO CCCC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000122723147 508578634 /nfs/dbraw/zinc/57/86/34/508578634.db2.gz CTTVGXGLFMTPLV-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000118778509 508671558 /nfs/dbraw/zinc/67/15/58/508671558.db2.gz IENAYHRGARBPGT-UHFFFAOYSA-N 1 3 373.541 2.790 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000118778509 508671561 /nfs/dbraw/zinc/67/15/61/508671561.db2.gz IENAYHRGARBPGT-UHFFFAOYSA-N 1 3 373.541 2.790 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000136758743 508714739 /nfs/dbraw/zinc/71/47/39/508714739.db2.gz BDCXUXATBIGQDC-QGZVFWFLSA-N 1 3 355.530 2.971 20 0 FFADHO CC[C@H](CN[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)[NH+]1CCCC1 ZINC000119284721 508764388 /nfs/dbraw/zinc/76/43/88/508764388.db2.gz WRWQIYZRZJFJRF-JKSUJKDBSA-N 1 3 363.502 2.885 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000123986682 508767087 /nfs/dbraw/zinc/76/70/87/508767087.db2.gz ASMOITRPIIURLM-PZJWPPBQSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000123986682 508767090 /nfs/dbraw/zinc/76/70/90/508767090.db2.gz ASMOITRPIIURLM-PZJWPPBQSA-N 1 3 372.557 2.530 20 0 FFADHO COCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000159048554 508785988 /nfs/dbraw/zinc/78/59/88/508785988.db2.gz NMOHCAVAMHMQEZ-CQSZACIVSA-N 1 3 368.909 2.543 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000154462011 508790105 /nfs/dbraw/zinc/79/01/05/508790105.db2.gz DDESELVKDJITPI-GOSISDBHSA-N 1 3 374.529 2.712 20 0 FFADHO O=C(NC[C@@H]1CCC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000130070620 508792573 /nfs/dbraw/zinc/79/25/73/508792573.db2.gz VRNQDYHJBWILBV-AEFFLSMTSA-N 1 3 369.431 2.557 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000154542620 508805507 /nfs/dbraw/zinc/80/55/07/508805507.db2.gz LYVNRFHDUSVXGE-GOSISDBHSA-N 1 3 361.530 2.916 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000119694450 508845832 /nfs/dbraw/zinc/84/58/32/508845832.db2.gz ZKQXRWLKPFKMCJ-UYAOXDASSA-N 1 3 360.546 2.875 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000119694450 508845834 /nfs/dbraw/zinc/84/58/34/508845834.db2.gz ZKQXRWLKPFKMCJ-UYAOXDASSA-N 1 3 360.546 2.875 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(Br)c1 ZINC000119725411 508851496 /nfs/dbraw/zinc/85/14/96/508851496.db2.gz DZAVHZYPMDAZDY-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO CC[C@]1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CC[NH2+]C1 ZINC000119755341 508856222 /nfs/dbraw/zinc/85/62/22/508856222.db2.gz OGOSTWHQZVDRMY-NRFANRHFSA-N 1 3 356.514 2.547 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000130997649 508875556 /nfs/dbraw/zinc/87/55/56/508875556.db2.gz KBXWFDUODLXWDU-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000130997649 508875558 /nfs/dbraw/zinc/87/55/58/508875558.db2.gz KBXWFDUODLXWDU-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120225451 508953657 /nfs/dbraw/zinc/95/36/57/508953657.db2.gz SCPDHIDFGIRLLD-UHFFFAOYSA-N 1 3 350.894 2.695 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000377745525 512429934 /nfs/dbraw/zinc/42/99/34/512429934.db2.gz NFKUKAHPLQTBDV-JKSUJKDBSA-N 1 3 365.905 2.855 20 0 FFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000125602903 509005397 /nfs/dbraw/zinc/00/53/97/509005397.db2.gz CUDFWMUCENGELF-JKSUJKDBSA-N 1 3 353.532 2.831 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000371494094 512433052 /nfs/dbraw/zinc/43/30/52/512433052.db2.gz ANZCRLHSWKAVMD-PZJWPPBQSA-N 1 3 370.541 2.574 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000371494094 512433057 /nfs/dbraw/zinc/43/30/57/512433057.db2.gz ANZCRLHSWKAVMD-PZJWPPBQSA-N 1 3 370.541 2.574 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)cc1 ZINC000120933404 509091772 /nfs/dbraw/zinc/09/17/72/509091772.db2.gz LNKDHWPNLWHYBA-ZWKOTPCHSA-N 1 3 355.530 2.715 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000133110700 509118079 /nfs/dbraw/zinc/11/80/79/509118079.db2.gz MTILJCCVAMCUGC-QZTJIDSGSA-N 1 3 371.525 2.965 20 0 FFADHO CC(C)CN1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000195648542 509213571 /nfs/dbraw/zinc/21/35/71/509213571.db2.gz WRWVROJWQNBQCY-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)CN1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000195648542 509213578 /nfs/dbraw/zinc/21/35/78/509213578.db2.gz WRWVROJWQNBQCY-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC1(C)CN(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1 ZINC000248412855 509305730 /nfs/dbraw/zinc/30/57/30/509305730.db2.gz KEKKCHBGNDBNEM-NJDAHSKKSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000248412855 509305734 /nfs/dbraw/zinc/30/57/34/509305734.db2.gz KEKKCHBGNDBNEM-NJDAHSKKSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000248412855 509305736 /nfs/dbraw/zinc/30/57/36/509305736.db2.gz KEKKCHBGNDBNEM-NJDAHSKKSA-N 1 3 357.542 2.597 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179192772 509313600 /nfs/dbraw/zinc/31/36/00/509313600.db2.gz ZZNHZDVZCJBVNQ-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](NC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)s1 ZINC000179201313 509317472 /nfs/dbraw/zinc/31/74/72/509317472.db2.gz DBOGAHZJJGOTJD-NSHDSACASA-N 1 3 361.353 2.582 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000192134636 509364340 /nfs/dbraw/zinc/36/43/40/509364340.db2.gz BLGUXTGCDUQECX-UHFFFAOYSA-N 1 3 355.530 2.639 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000192134636 509364348 /nfs/dbraw/zinc/36/43/48/509364348.db2.gz BLGUXTGCDUQECX-UHFFFAOYSA-N 1 3 355.530 2.639 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000248566207 509367396 /nfs/dbraw/zinc/36/73/96/509367396.db2.gz IXHHGBYDQOYNKH-WGMWDUQUSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000248566207 509367406 /nfs/dbraw/zinc/36/74/06/509367406.db2.gz IXHHGBYDQOYNKH-WGMWDUQUSA-N 1 3 372.557 2.879 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000182691879 509375573 /nfs/dbraw/zinc/37/55/73/509375573.db2.gz CTJOPPWUSZAMLZ-QGZVFWFLSA-N 1 3 364.534 2.926 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)C1 ZINC000176204708 509376629 /nfs/dbraw/zinc/37/66/29/509376629.db2.gz MKNOJQUBWFYOFI-QZTJIDSGSA-N 1 3 360.546 2.868 20 0 FFADHO CC[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000163934981 509441532 /nfs/dbraw/zinc/44/15/32/509441532.db2.gz CRXLGRBQJHCHEJ-FCHUYYIVSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000163931850 509442181 /nfs/dbraw/zinc/44/21/81/509442181.db2.gz ZVBACJQDRQLMDF-IBGZPJMESA-N 1 3 355.530 2.669 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000173189120 509445883 /nfs/dbraw/zinc/44/58/83/509445883.db2.gz JERSOZZWBNJKGF-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000173189120 509445889 /nfs/dbraw/zinc/44/58/89/509445889.db2.gz JERSOZZWBNJKGF-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO CC1(C)C[C@H](NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)(C)O1 ZINC000189225774 509470394 /nfs/dbraw/zinc/47/03/94/509470394.db2.gz TUESBKQUNZEMBK-IBGZPJMESA-N 1 3 373.541 2.834 20 0 FFADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1c1ccccc1 ZINC000176381833 509479632 /nfs/dbraw/zinc/47/96/32/509479632.db2.gz YFMWNRYOXIFYGH-LAUBAEHRSA-N 1 3 370.541 2.948 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000182914687 509492504 /nfs/dbraw/zinc/49/25/04/509492504.db2.gz VWXDTJYADURMHR-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000182914687 509492512 /nfs/dbraw/zinc/49/25/12/509492512.db2.gz VWXDTJYADURMHR-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO CC(CN1CCC[C@@H](c2ncc[nH]2)C1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267457896 509495649 /nfs/dbraw/zinc/49/56/49/509495649.db2.gz UBGIMPWHFPGWAH-QZTJIDSGSA-N 1 3 356.518 2.828 20 0 FFADHO CC(CN1CCC[C@@H](c2ncc[nH]2)C1)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267457896 509495656 /nfs/dbraw/zinc/49/56/56/509495656.db2.gz UBGIMPWHFPGWAH-QZTJIDSGSA-N 1 3 356.518 2.828 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)Cc1ccccc1 ZINC000164917300 509544859 /nfs/dbraw/zinc/54/48/59/509544859.db2.gz QJBHPHYPVRMEIH-SFTDATJTSA-N 1 3 353.510 2.626 20 0 FFADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000264561956 509601869 /nfs/dbraw/zinc/60/18/69/509601869.db2.gz FTGTWIMZLHTBLZ-NRFANRHFSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000166429164 509606714 /nfs/dbraw/zinc/60/67/14/509606714.db2.gz VYXHXUZYIKOFCE-LFGUQSLTSA-N 1 3 365.562 2.632 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(OCCN(C)C)c1 ZINC000166514468 509609565 /nfs/dbraw/zinc/60/95/65/509609565.db2.gz DLVIABUYTHZYBD-MJGOQNOKSA-N 1 3 371.529 2.680 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000166702377 509613187 /nfs/dbraw/zinc/61/31/87/509613187.db2.gz JWZUDHNQWASLKN-HXUWFJFHSA-N 1 3 369.534 2.786 20 0 FFADHO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000183149011 509628039 /nfs/dbraw/zinc/62/80/39/509628039.db2.gz DKDHZNUEARYKBV-JSXRDJHFSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183149011 509628047 /nfs/dbraw/zinc/62/80/47/509628047.db2.gz DKDHZNUEARYKBV-JSXRDJHFSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183149011 509628055 /nfs/dbraw/zinc/62/80/55/509628055.db2.gz DKDHZNUEARYKBV-JSXRDJHFSA-N 1 3 355.526 2.888 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCC[C@H]2CC)[C@@H](C)C1 ZINC000249258124 509642196 /nfs/dbraw/zinc/64/21/96/509642196.db2.gz HPBBDOQQCJLUMI-NMLBUPMWSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000168544426 509647877 /nfs/dbraw/zinc/64/78/77/509647877.db2.gz FQHCVGIDIIZPEJ-BEFAXECRSA-N 1 3 360.502 2.813 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H](C)O1 ZINC000176702365 509649110 /nfs/dbraw/zinc/64/91/10/509649110.db2.gz VHFHJSXXJUQQPB-ZVDOUQERSA-N 1 3 373.541 2.657 20 0 FFADHO C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H](C)O1 ZINC000176702365 509649117 /nfs/dbraw/zinc/64/91/17/509649117.db2.gz VHFHJSXXJUQQPB-ZVDOUQERSA-N 1 3 373.541 2.657 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000168942039 509653017 /nfs/dbraw/zinc/65/30/17/509653017.db2.gz GNIQDNRUSDUPLC-INIZCTEOSA-N 1 3 373.463 2.746 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2c(s1)CCCC2 ZINC000168914827 509653594 /nfs/dbraw/zinc/65/35/94/509653594.db2.gz WBGJRCXWPDIHPF-KRWDZBQOSA-N 1 3 365.587 2.668 20 0 FFADHO CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000192831402 509662544 /nfs/dbraw/zinc/66/25/44/509662544.db2.gz XCSXDMOUYLYSBJ-NRFANRHFSA-N 1 3 355.526 2.984 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CC1 ZINC000183229948 509667749 /nfs/dbraw/zinc/66/77/49/509667749.db2.gz ABQAEHHBLRGFOR-PMACEKPBSA-N 1 3 364.578 2.870 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000249403756 509673150 /nfs/dbraw/zinc/67/31/50/509673150.db2.gz CRQNKYBSVFVMFL-VJRMEYNWSA-N 1 3 367.578 2.796 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000249431792 509679147 /nfs/dbraw/zinc/67/91/47/509679147.db2.gz JXPVVEZYTDYTLJ-OKYOBFRVSA-N 1 3 353.551 2.503 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192927089 509701173 /nfs/dbraw/zinc/70/11/73/509701173.db2.gz UASMYSZVGKRICF-GOOCMWNKSA-N 1 3 351.878 2.892 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192927089 509701177 /nfs/dbraw/zinc/70/11/77/509701177.db2.gz UASMYSZVGKRICF-GOOCMWNKSA-N 1 3 351.878 2.892 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000237711753 509717236 /nfs/dbraw/zinc/71/72/36/509717236.db2.gz QWDMHVQRIHHDOI-UTKZUKDTSA-N 1 3 369.509 2.969 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1 ZINC000238027804 509803360 /nfs/dbraw/zinc/80/33/60/509803360.db2.gz BEUNJDHBFVJJIF-QFBILLFUSA-N 1 3 357.523 2.819 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2ccccc2OCc2cccnc2)CC1 ZINC000176989216 509803872 /nfs/dbraw/zinc/80/38/72/509803872.db2.gz XQMIUZUSQFRHRZ-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000252190249 509833070 /nfs/dbraw/zinc/83/30/70/509833070.db2.gz RMWLEFQALTZVHH-QYZOEREBSA-N 1 3 352.567 2.776 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000252204648 509833196 /nfs/dbraw/zinc/83/31/96/509833196.db2.gz UVVCNYIHBHRDSL-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000252204648 509833202 /nfs/dbraw/zinc/83/32/02/509833202.db2.gz UVVCNYIHBHRDSL-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000252801499 509859573 /nfs/dbraw/zinc/85/95/73/509859573.db2.gz TYHVVRAPEISMEI-FUMNGEBKSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](CCc3nc4ccccc4n3C)CC2)C[C@H](C)O1 ZINC000265100065 509860991 /nfs/dbraw/zinc/86/09/91/509860991.db2.gz RTKLWJKKJVOYRT-ROUUACIJSA-N 1 3 370.541 2.937 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1 ZINC000173935185 509863319 /nfs/dbraw/zinc/86/33/19/509863319.db2.gz CNINESUXEIDILA-SFHVURJKSA-N 1 3 372.517 2.649 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171039126 509902707 /nfs/dbraw/zinc/90/27/07/509902707.db2.gz CDMJKODJXPURPB-UXHICEINSA-N 1 3 356.514 2.703 20 0 FFADHO Cc1ccc([C@@H](O)CNCc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000268397610 509905611 /nfs/dbraw/zinc/90/56/11/509905611.db2.gz ZKGLAFWFEFNCDN-FQEVSTJZSA-N 1 3 357.498 2.942 20 0 FFADHO CCOC(=O)c1ccc(N2CCC[N@H+](CC[C@H]3CCCCN3C)CC2)nc1 ZINC000268408924 509911367 /nfs/dbraw/zinc/91/13/67/509911367.db2.gz AEOISRZTOBOQPI-LJQANCHMSA-N 1 3 374.529 2.645 20 0 FFADHO CCOC(=O)c1ccc(N2CCC[N@@H+](CC[C@H]3CCCCN3C)CC2)nc1 ZINC000268408924 509911374 /nfs/dbraw/zinc/91/13/74/509911374.db2.gz AEOISRZTOBOQPI-LJQANCHMSA-N 1 3 374.529 2.645 20 0 FFADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCN1CCCN(C)CC1)CC3 ZINC000180467655 509940160 /nfs/dbraw/zinc/94/01/60/509940160.db2.gz PTCFECMRYLAVHZ-SFHVURJKSA-N 1 3 354.542 2.951 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000174117928 509956184 /nfs/dbraw/zinc/95/61/84/509956184.db2.gz CVIRMJOUIXCKSQ-CTNGQTDRSA-N 1 3 372.557 2.979 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCCC[C@@H]2CC)[C@@H](C)C1 ZINC000187014849 510006234 /nfs/dbraw/zinc/00/62/34/510006234.db2.gz BHAKODCUVJFHGW-FHWLQOOXSA-N 1 3 353.551 2.504 20 0 FFADHO O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261826084 510080146 /nfs/dbraw/zinc/08/01/46/510080146.db2.gz MXEINIKGQAODPK-UGKGYDQZSA-N 1 3 355.526 2.891 20 0 FFADHO Cc1cc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c2ccccc2n1 ZINC000261835612 510083600 /nfs/dbraw/zinc/08/36/00/510083600.db2.gz LDVOBRWQYHNQIU-DYESRHJHSA-N 1 3 366.509 2.623 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261846752 510087957 /nfs/dbraw/zinc/08/79/57/510087957.db2.gz MCXDRQZORLVJMH-YLJYHZDGSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN1CCN(C)CC1 ZINC000245725871 510109638 /nfs/dbraw/zinc/10/96/38/510109638.db2.gz PNSFCRJNKSEVBM-ADHNFCLRSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)Cn1ccnc1 ZINC000177568416 510136229 /nfs/dbraw/zinc/13/62/29/510136229.db2.gz FWQJCBFXVOKXIM-SFHVURJKSA-N 1 3 355.530 2.839 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3ccc4c(c3)COC(C)(C)O4)CC2)CC1 ZINC000187234386 510141024 /nfs/dbraw/zinc/14/10/24/510141024.db2.gz FJEVOWFAPVVAOB-UHFFFAOYSA-N 1 3 373.541 2.980 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194017252 510177054 /nfs/dbraw/zinc/17/70/54/510177054.db2.gz FBKFHJVDMNXLJN-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194017252 510177062 /nfs/dbraw/zinc/17/70/62/510177062.db2.gz FBKFHJVDMNXLJN-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)N1CCC(O)(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000268996024 510182306 /nfs/dbraw/zinc/18/23/06/510182306.db2.gz HXFFFYOVOIJYMT-HNNXBMFYSA-N 1 3 367.921 2.882 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1Br ZINC000269070825 510221446 /nfs/dbraw/zinc/22/14/46/510221446.db2.gz XBUYXAZSYCVHIY-LBPRGKRZSA-N 1 3 357.292 2.565 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)C3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000187400067 510242102 /nfs/dbraw/zinc/24/21/02/510242102.db2.gz JZZZCZCAFXLULA-UHFFFAOYSA-N 1 3 358.530 2.887 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@@H]1c1ccccc1 ZINC000246053972 510267845 /nfs/dbraw/zinc/26/78/45/510267845.db2.gz YMXRXGSCMSZQRC-WCIQWLHISA-N 1 3 356.514 2.558 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@@H]1c1ccccc1 ZINC000246053972 510267850 /nfs/dbraw/zinc/26/78/50/510267850.db2.gz YMXRXGSCMSZQRC-WCIQWLHISA-N 1 3 356.514 2.558 20 0 FFADHO CCOC[C@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246095895 510289101 /nfs/dbraw/zinc/28/91/01/510289101.db2.gz AIVUJFCYJJFVPU-QUCCMNQESA-N 1 3 373.541 2.514 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000269305766 510331978 /nfs/dbraw/zinc/33/19/78/510331978.db2.gz SSNTVVMFDAOMID-WOJBJXKFSA-N 1 3 372.557 2.531 20 0 FFADHO CC[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000262680064 510366121 /nfs/dbraw/zinc/36/61/21/510366121.db2.gz WNQRWZIWOJYWBY-DYESRHJHSA-N 1 3 357.542 2.965 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000174912793 510383924 /nfs/dbraw/zinc/38/39/24/510383924.db2.gz GHQNVFCOGPNOPI-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@H]1CN(CCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000178059512 510407309 /nfs/dbraw/zinc/40/73/09/510407309.db2.gz ZPXHYKIOVAEZBO-IRXDYDNUSA-N 1 3 362.518 2.759 20 0 FFADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1(C)C ZINC000262811297 510421926 /nfs/dbraw/zinc/42/19/26/510421926.db2.gz VEIQYNHYTKEHOY-KNKQGSTJSA-N 1 3 373.541 2.690 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1(C)C ZINC000262814633 510425310 /nfs/dbraw/zinc/42/53/10/510425310.db2.gz WFHZZRUIZWNWSC-DBXWQHBBSA-N 1 3 365.562 2.634 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000269502641 510438485 /nfs/dbraw/zinc/43/84/85/510438485.db2.gz MEDAUNQHNMSARV-OAQYLSRUSA-N 1 3 366.509 2.853 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C12CCC2 ZINC000181541638 510463787 /nfs/dbraw/zinc/46/37/87/510463787.db2.gz WXTSKLODMLIPRK-LEWJYISDSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000246436702 510487515 /nfs/dbraw/zinc/48/75/15/510487515.db2.gz HLFDMYFTDIZIED-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000246436702 510487529 /nfs/dbraw/zinc/48/75/29/510487529.db2.gz HLFDMYFTDIZIED-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C12CCCC2 ZINC000181670081 510531132 /nfs/dbraw/zinc/53/11/32/510531132.db2.gz NNEYEIJWSLNXJC-PMACEKPBSA-N 1 3 373.541 2.805 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000263241326 510626152 /nfs/dbraw/zinc/62/61/52/510626152.db2.gz LGWQFTMJKACHEM-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000263241326 510626156 /nfs/dbraw/zinc/62/61/56/510626156.db2.gz LGWQFTMJKACHEM-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000263241326 510626162 /nfs/dbraw/zinc/62/61/62/510626162.db2.gz LGWQFTMJKACHEM-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO CC1(C)[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H]2CCCO[C@@H]21 ZINC000181860383 510630028 /nfs/dbraw/zinc/63/00/28/510630028.db2.gz ZJBLSXTXBHKSPF-NJYVYQBISA-N 1 3 358.526 2.937 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cccc1OC ZINC000195052870 510648998 /nfs/dbraw/zinc/64/89/98/510648998.db2.gz CHZCGJYDPKHPPB-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cccc1OC ZINC000195052870 510649007 /nfs/dbraw/zinc/64/90/07/510649007.db2.gz CHZCGJYDPKHPPB-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000178539160 510652529 /nfs/dbraw/zinc/65/25/29/510652529.db2.gz HOLQWWPAFPEBFZ-TZIWHRDSSA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000178539160 510652535 /nfs/dbraw/zinc/65/25/35/510652535.db2.gz HOLQWWPAFPEBFZ-TZIWHRDSSA-N 1 3 359.558 2.722 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C[C@H](C)O1 ZINC000246897396 510732586 /nfs/dbraw/zinc/73/25/86/510732586.db2.gz FEEFSFYSASJCFL-XWSHUIEDSA-N 1 3 374.573 2.771 20 0 FFADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1(C)C ZINC000185214810 510751844 /nfs/dbraw/zinc/75/18/44/510751844.db2.gz HNDCOASMVYVNTB-RBUKOAKNSA-N 1 3 361.530 2.660 20 0 FFADHO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1(C)C ZINC000185214828 510752261 /nfs/dbraw/zinc/75/22/61/510752261.db2.gz HNDCOASMVYVNTB-OALUTQOASA-N 1 3 361.530 2.660 20 0 FFADHO COc1cc(NC(=O)CC[N@@H+]2CC[C@H](CN(C)C)C2)c(OC)cc1Cl ZINC000266729290 510752644 /nfs/dbraw/zinc/75/26/44/510752644.db2.gz KIEYROSRVFPYFW-CYBMUJFWSA-N 1 3 369.893 2.569 20 0 FFADHO COc1cc(NC(=O)CC[N@H+]2CC[C@H](CN(C)C)C2)c(OC)cc1Cl ZINC000266729290 510752652 /nfs/dbraw/zinc/75/26/52/510752652.db2.gz KIEYROSRVFPYFW-CYBMUJFWSA-N 1 3 369.893 2.569 20 0 FFADHO COCOc1ccc(OC)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000270315144 510756820 /nfs/dbraw/zinc/75/68/20/510756820.db2.gz GXWLDXXLMGQVMT-IAGOWNOFSA-N 1 3 366.502 2.657 20 0 FFADHO CCN1CCN(CCC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000263677628 510785235 /nfs/dbraw/zinc/78/52/35/510785235.db2.gz MNNKZTOYHNZNGS-UHFFFAOYSA-N 1 3 372.557 2.681 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182270464 510839687 /nfs/dbraw/zinc/83/96/87/510839687.db2.gz ADQIINGKXHDEKG-JXFKEZNVSA-N 1 3 368.477 2.875 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182270464 510839691 /nfs/dbraw/zinc/83/96/91/510839691.db2.gz ADQIINGKXHDEKG-JXFKEZNVSA-N 1 3 368.477 2.875 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247275720 510854990 /nfs/dbraw/zinc/85/49/90/510854990.db2.gz KCGPZRFYMNAYBV-NHCUHLMSSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247275720 510854991 /nfs/dbraw/zinc/85/49/91/510854991.db2.gz KCGPZRFYMNAYBV-NHCUHLMSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCC[C@H](C)C1 ZINC000247368754 510858694 /nfs/dbraw/zinc/85/86/94/510858694.db2.gz NHMHAYHEXKDBMX-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCC[C@H](C)C1 ZINC000247368754 510858695 /nfs/dbraw/zinc/85/86/95/510858695.db2.gz NHMHAYHEXKDBMX-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000247491876 510862834 /nfs/dbraw/zinc/86/28/34/510862834.db2.gz RPSSKPICLKPDBC-IZZBFERCSA-N 1 3 372.557 2.784 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000247491876 510862835 /nfs/dbraw/zinc/86/28/35/510862835.db2.gz RPSSKPICLKPDBC-IZZBFERCSA-N 1 3 372.557 2.784 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000360793670 510950574 /nfs/dbraw/zinc/95/05/74/510950574.db2.gz QAEFRJBCIANOHQ-UHFFFAOYSA-N 1 3 365.562 2.791 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279353769 511055242 /nfs/dbraw/zinc/05/52/42/511055242.db2.gz JRFAYSKXMQDZJU-IHPCNDPISA-N 1 3 373.541 2.935 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279353769 511055244 /nfs/dbraw/zinc/05/52/44/511055244.db2.gz JRFAYSKXMQDZJU-IHPCNDPISA-N 1 3 373.541 2.935 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000279650508 511162402 /nfs/dbraw/zinc/16/24/02/511162402.db2.gz DZIJJISUMLKATI-GXRSIYKFSA-N 1 3 355.526 2.745 20 0 FFADHO COCC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291273066 511163745 /nfs/dbraw/zinc/16/37/45/511163745.db2.gz YCTJPJZSGTVUOJ-OAQYLSRUSA-N 1 3 357.542 2.695 20 0 FFADHO COCC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291273066 511163751 /nfs/dbraw/zinc/16/37/51/511163751.db2.gz YCTJPJZSGTVUOJ-OAQYLSRUSA-N 1 3 357.542 2.695 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)CC1 ZINC000365009317 511203626 /nfs/dbraw/zinc/20/36/26/511203626.db2.gz PCEDWSIQHJNMGQ-VQTJNVASSA-N 1 3 362.562 2.813 20 0 FFADHO CN(Cc1cc(C[N@H+](C)C[C@@H]2CCOC2)ccc1F)C[C@@H]1CCOC1 ZINC000294903415 511214362 /nfs/dbraw/zinc/21/43/62/511214362.db2.gz HHFAKQWOVKEBHR-ROUUACIJSA-N 1 3 350.478 2.762 20 0 FFADHO CN(Cc1cc(C[N@@H+](C)C[C@@H]2CCOC2)ccc1F)C[C@@H]1CCOC1 ZINC000294903415 511214365 /nfs/dbraw/zinc/21/43/65/511214365.db2.gz HHFAKQWOVKEBHR-ROUUACIJSA-N 1 3 350.478 2.762 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000279808042 511222492 /nfs/dbraw/zinc/22/24/92/511222492.db2.gz OEJJZDRDXGPDAW-LJQANCHMSA-N 1 3 372.557 2.565 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000294937365 511228301 /nfs/dbraw/zinc/22/83/01/511228301.db2.gz GPTXFYZIFHZYRK-HNSVSWJLSA-N 1 3 361.486 2.636 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000294937365 511228304 /nfs/dbraw/zinc/22/83/04/511228304.db2.gz GPTXFYZIFHZYRK-HNSVSWJLSA-N 1 3 361.486 2.636 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000291567651 511249098 /nfs/dbraw/zinc/24/90/98/511249098.db2.gz DJBVRLPVRNRPED-CTNGQTDRSA-N 1 3 356.514 2.561 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000291567651 511249102 /nfs/dbraw/zinc/24/91/02/511249102.db2.gz DJBVRLPVRNRPED-CTNGQTDRSA-N 1 3 356.514 2.561 20 0 FFADHO OCC[C@H](NC/C=C/C[NH2+][C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000271738090 511305989 /nfs/dbraw/zinc/30/59/89/511305989.db2.gz HZMKSSLVYBCOFO-KDFLPFIWSA-N 1 3 354.494 2.969 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000283304931 511315574 /nfs/dbraw/zinc/31/55/74/511315574.db2.gz NORXJZQGHPAYHJ-HXUWFJFHSA-N 1 3 369.557 2.917 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000283304931 511315581 /nfs/dbraw/zinc/31/55/81/511315581.db2.gz NORXJZQGHPAYHJ-HXUWFJFHSA-N 1 3 369.557 2.917 20 0 FFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000298536701 511319427 /nfs/dbraw/zinc/31/94/27/511319427.db2.gz SOQFTYJOXOMQMH-OAHLLOKOSA-N 1 3 357.498 2.621 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc21 ZINC000283359603 511336137 /nfs/dbraw/zinc/33/61/37/511336137.db2.gz NBXJMMQTBJSPNJ-SFTDATJTSA-N 1 3 373.541 2.784 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(CC)CC2)c2ccccc21 ZINC000283367121 511339196 /nfs/dbraw/zinc/33/91/96/511339196.db2.gz NRXVOQFONNELSP-NHCUHLMSSA-N 1 3 373.541 2.785 20 0 FFADHO CC(C)(O)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000295385938 511386846 /nfs/dbraw/zinc/38/68/46/511386846.db2.gz AXPNIERMXWMIBC-OAQYLSRUSA-N 1 3 354.494 2.770 20 0 FFADHO CC(C)(O)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000295385938 511386851 /nfs/dbraw/zinc/38/68/51/511386851.db2.gz AXPNIERMXWMIBC-OAQYLSRUSA-N 1 3 354.494 2.770 20 0 FFADHO C[C@H](NCCC(=O)NC(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298949235 511461730 /nfs/dbraw/zinc/46/17/30/511461730.db2.gz OLMFLOWQYQTONR-IRXDYDNUSA-N 1 3 372.513 2.967 20 0 FFADHO C[C@H](NCCC(=O)NC(=O)Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298949235 511461734 /nfs/dbraw/zinc/46/17/34/511461734.db2.gz OLMFLOWQYQTONR-IRXDYDNUSA-N 1 3 372.513 2.967 20 0 FFADHO C[C@H]([NH2+]CCC(=O)NC(=O)Nc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000298949235 511461743 /nfs/dbraw/zinc/46/17/43/511461743.db2.gz OLMFLOWQYQTONR-IRXDYDNUSA-N 1 3 372.513 2.967 20 0 FFADHO C[C@H](NCCC(=O)NC(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298949207 511462035 /nfs/dbraw/zinc/46/20/35/511462035.db2.gz OLMFLOWQYQTONR-DLBZAZTESA-N 1 3 372.513 2.967 20 0 FFADHO C[C@H](NCCC(=O)NC(=O)Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298949207 511462039 /nfs/dbraw/zinc/46/20/39/511462039.db2.gz OLMFLOWQYQTONR-DLBZAZTESA-N 1 3 372.513 2.967 20 0 FFADHO C[C@H]([NH2+]CCC(=O)NC(=O)Nc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000298949207 511462044 /nfs/dbraw/zinc/46/20/44/511462044.db2.gz OLMFLOWQYQTONR-DLBZAZTESA-N 1 3 372.513 2.967 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000363322091 511480951 /nfs/dbraw/zinc/48/09/51/511480951.db2.gz ZLJWCZJGSQDHCM-AYWYSENESA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000363322091 511480959 /nfs/dbraw/zinc/48/09/59/511480959.db2.gz ZLJWCZJGSQDHCM-AYWYSENESA-N 1 3 370.541 2.966 20 0 FFADHO CC(C)[NH+]1CCN(C2CCN(CCC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000272283459 511490575 /nfs/dbraw/zinc/49/05/75/511490575.db2.gz QQYHXQSPCLCBKU-UHFFFAOYSA-N 1 3 361.505 2.889 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292360319 511567950 /nfs/dbraw/zinc/56/79/50/511567950.db2.gz YQOXZZYLIHLJST-FGTMMUONSA-N 1 3 361.530 2.928 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CCOC1 ZINC000280750627 511588115 /nfs/dbraw/zinc/58/81/15/511588115.db2.gz DTVUKFGQPZJKND-LXHROKJGSA-N 1 3 358.526 2.522 20 0 FFADHO CC[NH+](CC)CCCN[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000299369247 511609939 /nfs/dbraw/zinc/60/99/39/511609939.db2.gz SGJVVVGKDKETGE-HNNXBMFYSA-N 1 3 351.491 2.742 20 0 FFADHO CCN(CC)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000299369247 511609946 /nfs/dbraw/zinc/60/99/46/511609946.db2.gz SGJVVVGKDKETGE-HNNXBMFYSA-N 1 3 351.491 2.742 20 0 FFADHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000284133154 511617638 /nfs/dbraw/zinc/61/76/38/511617638.db2.gz OHPKFTDXYZUDCJ-NRFANRHFSA-N 1 3 356.514 2.654 20 0 FFADHO Cc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1F ZINC000296159328 511638797 /nfs/dbraw/zinc/63/87/97/511638797.db2.gz WMOXOCNTKQOUNB-UHFFFAOYSA-N 1 3 361.505 2.948 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000284213571 511643466 /nfs/dbraw/zinc/64/34/66/511643466.db2.gz GYHLDRXJKKYWQW-YMQHIKHWSA-N 1 3 360.542 2.930 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000284213571 511643470 /nfs/dbraw/zinc/64/34/70/511643470.db2.gz GYHLDRXJKKYWQW-YMQHIKHWSA-N 1 3 360.542 2.930 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]1C ZINC000280916676 511652409 /nfs/dbraw/zinc/65/24/09/511652409.db2.gz PLHAYXZOALVXBH-LLGFUMIMSA-N 1 3 374.525 2.711 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000365986555 511767004 /nfs/dbraw/zinc/76/70/04/511767004.db2.gz ZFFRWWIHHRHVOD-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000311170479 511774265 /nfs/dbraw/zinc/77/42/65/511774265.db2.gz SLBKAXLDIYEOIU-IBGZPJMESA-N 1 3 358.507 2.702 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)N(CC)CC ZINC000274277261 511777843 /nfs/dbraw/zinc/77/78/43/511777843.db2.gz ASXWGRMGSTUJCP-GOSISDBHSA-N 1 3 362.518 2.944 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)cc2)CC1 ZINC000296680899 511851175 /nfs/dbraw/zinc/85/11/75/511851175.db2.gz IGMZJOPKLCQXJK-UHFFFAOYSA-N 1 3 367.537 2.951 20 0 FFADHO Cc1oc2ccccc2c1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000364083867 511949781 /nfs/dbraw/zinc/94/97/81/511949781.db2.gz UJMDDGDRLRKEDJ-UHFFFAOYSA-N 1 3 369.509 2.959 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000285025041 511972558 /nfs/dbraw/zinc/97/25/58/511972558.db2.gz MQVBENLJWLPTEW-UYAOXDASSA-N 1 3 373.541 2.692 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000285025041 511972563 /nfs/dbraw/zinc/97/25/63/511972563.db2.gz MQVBENLJWLPTEW-UYAOXDASSA-N 1 3 373.541 2.692 20 0 FFADHO CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000274983116 512005975 /nfs/dbraw/zinc/00/59/75/512005975.db2.gz TXSYCOGNFDPGEK-HNNXBMFYSA-N 1 3 361.534 2.717 20 0 FFADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000367511852 512536062 /nfs/dbraw/zinc/53/60/62/512536062.db2.gz GNCBERHVMULYPV-MSOLQXFVSA-N 1 3 365.468 2.602 20 0 FFADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000367511852 512536063 /nfs/dbraw/zinc/53/60/63/512536063.db2.gz GNCBERHVMULYPV-MSOLQXFVSA-N 1 3 365.468 2.602 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000374077335 512651579 /nfs/dbraw/zinc/65/15/79/512651579.db2.gz JCGHJOFCBLAZCF-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000374077335 512651583 /nfs/dbraw/zinc/65/15/83/512651583.db2.gz JCGHJOFCBLAZCF-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000374077338 512651645 /nfs/dbraw/zinc/65/16/45/512651645.db2.gz JCGHJOFCBLAZCF-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000374077338 512651648 /nfs/dbraw/zinc/65/16/48/512651648.db2.gz JCGHJOFCBLAZCF-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO COc1cccc(CNC(=O)[C@@H](C)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374161269 512685925 /nfs/dbraw/zinc/68/59/25/512685925.db2.gz LXRHSEMNBFTAOW-QGZVFWFLSA-N 1 3 359.514 2.508 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000411563308 512691457 /nfs/dbraw/zinc/69/14/57/512691457.db2.gz QSLKPDIIBOHRSY-LEWJYISDSA-N 1 3 373.541 2.875 20 0 FFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000376231705 512722571 /nfs/dbraw/zinc/72/25/71/512722571.db2.gz JKHDXFKAFDZHSX-BBTUJRGHSA-N 1 3 359.514 2.999 20 0 FFADHO COC(=O)c1cc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1C ZINC000368021709 512768374 /nfs/dbraw/zinc/76/83/74/512768374.db2.gz MGWRZGDUVKPRJB-OAHLLOKOSA-N 1 3 361.511 2.875 20 0 FFADHO COC(=O)c1cc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1C ZINC000368021709 512768377 /nfs/dbraw/zinc/76/83/77/512768377.db2.gz MGWRZGDUVKPRJB-OAHLLOKOSA-N 1 3 361.511 2.875 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000376340679 512776216 /nfs/dbraw/zinc/77/62/16/512776216.db2.gz XQVMVJDGHBRMEN-PXNSSMCTSA-N 1 3 361.530 2.974 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000370128030 512781771 /nfs/dbraw/zinc/78/17/71/512781771.db2.gz CPWNRRNHUMPFOP-CTNGQTDRSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000370128030 512781778 /nfs/dbraw/zinc/78/17/78/512781778.db2.gz CPWNRRNHUMPFOP-CTNGQTDRSA-N 1 3 370.541 2.919 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc2C1 ZINC000378500142 512792591 /nfs/dbraw/zinc/79/25/91/512792591.db2.gz WAUMMRHUTSBWCH-SVMVAKDDSA-N 1 3 373.541 2.959 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@]3(F)c3ccccc3)CC2)CC1 ZINC000411770373 512802754 /nfs/dbraw/zinc/80/27/54/512802754.db2.gz XTQWKGGOTCVXOM-TZIWHRDSSA-N 1 3 359.489 2.546 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000411791754 512813967 /nfs/dbraw/zinc/81/39/67/512813967.db2.gz HQMIHEIXMXZMIF-PMACEKPBSA-N 1 3 373.541 2.560 20 0 FFADHO COC[C@@]1(C(=O)OC)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411798729 512817883 /nfs/dbraw/zinc/81/78/83/512817883.db2.gz SIPXRUYDPVVZGV-OAQYLSRUSA-N 1 3 360.498 2.684 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCCOCc3ccccc3)CC2)CC1 ZINC000368217788 512850558 /nfs/dbraw/zinc/85/05/58/512850558.db2.gz AIXLHXMVCFYDEJ-UHFFFAOYSA-N 1 3 359.558 2.943 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000372434419 512872638 /nfs/dbraw/zinc/87/26/38/512872638.db2.gz BJYLUBFMPYMTMB-KURKYZTESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[N@H+](C)Cc1ccccc1 ZINC000390792870 512910334 /nfs/dbraw/zinc/91/03/34/512910334.db2.gz XOGNCHUHVHAXRO-UZLBHIALSA-N 1 3 364.493 2.674 20 0 FFADHO C[C@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[N@@H+](C)Cc1ccccc1 ZINC000390792870 512910339 /nfs/dbraw/zinc/91/03/39/512910339.db2.gz XOGNCHUHVHAXRO-UZLBHIALSA-N 1 3 364.493 2.674 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C[C@H]21 ZINC000374630974 512927383 /nfs/dbraw/zinc/92/73/83/512927383.db2.gz NVSPHJCRTBBWLG-PIKOESSRSA-N 1 3 359.489 2.624 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000368403081 512932282 /nfs/dbraw/zinc/93/22/82/512932282.db2.gz QFMDSILRROSBCY-FXAWDEMLSA-N 1 3 373.541 2.790 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000368403081 512932285 /nfs/dbraw/zinc/93/22/85/512932285.db2.gz QFMDSILRROSBCY-FXAWDEMLSA-N 1 3 373.541 2.790 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000398057387 512952800 /nfs/dbraw/zinc/95/28/00/512952800.db2.gz LQCRESJJQSYERP-DZFGPLHGSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000398057387 512952805 /nfs/dbraw/zinc/95/28/05/512952805.db2.gz LQCRESJJQSYERP-DZFGPLHGSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000370632418 513023453 /nfs/dbraw/zinc/02/34/53/513023453.db2.gz AOMVPZCYEIEHAR-HKUYNNGSSA-N 1 3 353.514 2.691 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370708153 513064342 /nfs/dbraw/zinc/06/43/42/513064342.db2.gz PDIYJFOMCVDCLR-RXVVDRJESA-N 1 3 367.541 2.843 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370708153 513064344 /nfs/dbraw/zinc/06/43/44/513064344.db2.gz PDIYJFOMCVDCLR-RXVVDRJESA-N 1 3 367.541 2.843 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000377061177 513103780 /nfs/dbraw/zinc/10/37/80/513103780.db2.gz KJBPMILWJIFSJM-JOCHJYFZSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417691157 513165995 /nfs/dbraw/zinc/16/59/95/513165995.db2.gz MJQZHNYENAEFCZ-YQVWRLOYSA-N 1 3 358.530 2.981 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000417698361 513168918 /nfs/dbraw/zinc/16/89/18/513168918.db2.gz XTPVMCJGFUCSEQ-ROUUACIJSA-N 1 3 358.530 2.982 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000433900659 513180921 /nfs/dbraw/zinc/18/09/21/513180921.db2.gz IZJVORRXXWXUFZ-MOPGFXCFSA-N 1 3 350.551 2.813 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@@H]1c1cccs1 ZINC000417733900 513186248 /nfs/dbraw/zinc/18/62/48/513186248.db2.gz JICABXDINITABO-SUMDDJOVSA-N 1 3 362.543 2.526 20 0 FFADHO C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417743921 513191431 /nfs/dbraw/zinc/19/14/31/513191431.db2.gz MFZZTFYMELRKBD-XNRPHZJLSA-N 1 3 372.435 2.735 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000417743856 513192108 /nfs/dbraw/zinc/19/21/08/513192108.db2.gz XNXAVDHVCZOZJB-JZXOWHBKSA-N 1 3 364.559 2.772 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417742640 513192263 /nfs/dbraw/zinc/19/22/63/513192263.db2.gz WHPWVYXEAFPPOI-VYDXJSESSA-N 1 3 352.548 2.948 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417827926 513224141 /nfs/dbraw/zinc/22/41/41/513224141.db2.gz DUNQMAAQHKAURP-BWPNAZKDSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000417827274 513225217 /nfs/dbraw/zinc/22/52/17/513225217.db2.gz DDCPRKTZIMTKHS-LCLWPZTBSA-N 1 3 358.530 2.666 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000417837162 513229063 /nfs/dbraw/zinc/22/90/63/513229063.db2.gz XMBXSOPPRAHWQP-IHPCNDPISA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4c(c3)ncn4C)CC2)CC1 ZINC000421369795 513239853 /nfs/dbraw/zinc/23/98/53/513239853.db2.gz HSUXJHZEQCOONA-UHFFFAOYSA-N 1 3 355.530 2.565 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4c(c3)ncn4C)CC2)CC1 ZINC000421369795 513239862 /nfs/dbraw/zinc/23/98/62/513239862.db2.gz HSUXJHZEQCOONA-UHFFFAOYSA-N 1 3 355.530 2.565 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)[C@H]1c1ccccc1 ZINC000417938733 513291226 /nfs/dbraw/zinc/29/12/26/513291226.db2.gz JSZPNFMRRPOGGL-RTBURBONSA-N 1 3 356.514 2.607 20 0 FFADHO [NH3+]CCCN(CC1CCCC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417976798 513312350 /nfs/dbraw/zinc/31/23/50/513312350.db2.gz YYLHHMCRGBVIHC-UHFFFAOYSA-N 1 3 373.545 2.849 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418011682 513334110 /nfs/dbraw/zinc/33/41/10/513334110.db2.gz LDELJOVRGSRFNH-JRGCBEDISA-N 1 3 370.541 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418032869 513343505 /nfs/dbraw/zinc/34/35/05/513343505.db2.gz MIYBFDFJUQJQAR-AABGKKOBSA-N 1 3 360.546 2.960 20 0 FFADHO CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000446832172 513345713 /nfs/dbraw/zinc/34/57/13/513345713.db2.gz MUQTYCRTRTYLMD-HJEWCPSZSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@@]1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418049876 513354293 /nfs/dbraw/zinc/35/42/93/513354293.db2.gz ZDTRMZUFXQNLMJ-CTNGQTDRSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418101736 513371976 /nfs/dbraw/zinc/37/19/76/513371976.db2.gz GOOZVRNXQJNJSF-FPOVZHCZSA-N 1 3 370.541 2.540 20 0 FFADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418101738 513372087 /nfs/dbraw/zinc/37/20/87/513372087.db2.gz GOOZVRNXQJNJSF-TZIWHRDSSA-N 1 3 370.541 2.540 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418102889 513372359 /nfs/dbraw/zinc/37/23/59/513372359.db2.gz HYTQOGGUFHDQAH-PZJWPPBQSA-N 1 3 370.541 2.682 20 0 FFADHO CN(c1ccccc1C[NH2+][C@H]1CCN(CC(F)F)C1)C1CCN(C)CC1 ZINC000418130670 513384024 /nfs/dbraw/zinc/38/40/24/513384024.db2.gz GVUONZNPPHQDGP-KRWDZBQOSA-N 1 3 366.500 2.646 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418158516 513396817 /nfs/dbraw/zinc/39/68/17/513396817.db2.gz PXWKMKRUBIENMT-UGKGYDQZSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000429521238 513397462 /nfs/dbraw/zinc/39/74/62/513397462.db2.gz MNRPRQZKTRTKDT-GOSISDBHSA-N 1 3 366.509 2.535 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccco1 ZINC000418160352 513398400 /nfs/dbraw/zinc/39/84/00/513398400.db2.gz CXRRBBYVJLWSGZ-XLAORIBOSA-N 1 3 362.518 2.740 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000418162287 513399859 /nfs/dbraw/zinc/39/98/59/513399859.db2.gz CRSVAEOCXKEHEO-IAGOWNOFSA-N 1 3 352.910 2.759 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N(C)C ZINC000418191026 513414812 /nfs/dbraw/zinc/41/48/12/513414812.db2.gz XBEXWFXOWWEGMN-HFSMHLIXSA-N 1 3 358.530 2.771 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000418238325 513436410 /nfs/dbraw/zinc/43/64/10/513436410.db2.gz FLQJNAXZWMRRFT-OALUTQOASA-N 1 3 358.530 2.858 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NCCC2=CC[NH2+]CC2)CCC1 ZINC000418240917 513438224 /nfs/dbraw/zinc/43/82/24/513438224.db2.gz JGSCUFHKYXWJAV-UHFFFAOYSA-N 1 3 356.514 2.650 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000421814879 513443285 /nfs/dbraw/zinc/44/32/85/513443285.db2.gz RUGVWVFXFIYBLB-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000421814879 513443292 /nfs/dbraw/zinc/44/32/92/513443292.db2.gz RUGVWVFXFIYBLB-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO COc1cc2nccc(N3CCC(OCC[NH+](C)C)CC3)c2cc1OC ZINC000413129978 513468674 /nfs/dbraw/zinc/46/86/74/513468674.db2.gz BXPDAHVEIBWPNY-UHFFFAOYSA-N 1 3 359.470 2.799 20 0 FFADHO C[C@@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418338048 513471049 /nfs/dbraw/zinc/47/10/49/513471049.db2.gz JPBFEKQURKCQCA-TZIWHRDSSA-N 1 3 372.557 2.725 20 0 FFADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418342321 513474542 /nfs/dbraw/zinc/47/45/42/513474542.db2.gz MVDRVMFFJLKKHR-IRLDBZIGSA-N 1 3 370.541 2.684 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418346093 513475711 /nfs/dbraw/zinc/47/57/11/513475711.db2.gz PMQFPRKUUPNIHJ-WOJBJXKFSA-N 1 3 358.530 2.540 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418348181 513477569 /nfs/dbraw/zinc/47/75/69/513477569.db2.gz OFVGCYCSDVWCQN-PZJWPPBQSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418352267 513478232 /nfs/dbraw/zinc/47/82/32/513478232.db2.gz SRCCHOFADBELSC-OALUTQOASA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418352269 513479285 /nfs/dbraw/zinc/47/92/85/513479285.db2.gz SRCCHOFADBELSC-RBUKOAKNSA-N 1 3 358.530 2.540 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000415925511 513481841 /nfs/dbraw/zinc/48/18/41/513481841.db2.gz AURWTPRAEQSKRV-IBGZPJMESA-N 1 3 356.470 2.839 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418360485 513482408 /nfs/dbraw/zinc/48/24/08/513482408.db2.gz GGCWFFKQXDJBHV-MOPGFXCFSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NCC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000418379119 513490165 /nfs/dbraw/zinc/49/01/65/513490165.db2.gz VXXHRVUZNAIURR-LMDPOFIKSA-N 1 3 350.551 2.528 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944011 513491144 /nfs/dbraw/zinc/49/11/44/513491144.db2.gz HISZDCXNLFKOKK-OXQOHEQNSA-N 1 3 368.481 2.666 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccco1 ZINC000415944844 513492485 /nfs/dbraw/zinc/49/24/85/513492485.db2.gz JNJGJTHXMQZUAE-RHSMWYFYSA-N 1 3 360.458 2.868 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418395722 513494823 /nfs/dbraw/zinc/49/48/23/513494823.db2.gz HMFOFHIQIFAXOI-MRXNPFEDSA-N 1 3 372.435 2.516 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418411401 513498515 /nfs/dbraw/zinc/49/85/15/513498515.db2.gz PHJSDZFXOSVYJI-XUVXKRRUSA-N 1 3 373.545 2.595 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418418269 513501959 /nfs/dbraw/zinc/50/19/59/513501959.db2.gz VYPYTTDRLAMNEQ-KSSFIOAISA-N 1 3 368.472 2.556 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000415966735 513505043 /nfs/dbraw/zinc/50/50/43/513505043.db2.gz AEBABIPIHKSSDE-UHFFFAOYSA-N 1 3 352.482 2.627 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418448108 513515362 /nfs/dbraw/zinc/51/53/62/513515362.db2.gz RBGQAHMINUUKQH-HXUWFJFHSA-N 1 3 360.546 2.710 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415986316 513518066 /nfs/dbraw/zinc/51/80/66/513518066.db2.gz AEJZHHALHHUKDB-CVEARBPZSA-N 1 3 374.451 2.722 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418470915 513523558 /nfs/dbraw/zinc/52/35/58/513523558.db2.gz RBRSDCGPBONHFV-INIZCTEOSA-N 1 3 356.461 2.556 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415996897 513528938 /nfs/dbraw/zinc/52/89/38/513528938.db2.gz QLVORNDZTLCDFQ-LSDHHAIUSA-N 1 3 360.424 2.648 20 0 FFADHO CC1(CNC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]CC1 ZINC000418514156 513540296 /nfs/dbraw/zinc/54/02/96/513540296.db2.gz HAODPQDVAOSENF-QFIPXVFZSA-N 1 3 370.541 2.684 20 0 FFADHO C[C@]1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)CCC[NH2+]C1 ZINC000418541555 513550097 /nfs/dbraw/zinc/55/00/97/513550097.db2.gz NOAMNWCBFJESDX-ONTIZHBOSA-N 1 3 370.541 2.540 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CN1C1CC1 ZINC000441379049 513556727 /nfs/dbraw/zinc/55/67/27/513556727.db2.gz DEVVKOAKMQYVPN-MJGOQNOKSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CN1C1CC1 ZINC000441379049 513556733 /nfs/dbraw/zinc/55/67/33/513556733.db2.gz DEVVKOAKMQYVPN-MJGOQNOKSA-N 1 3 362.562 2.909 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCC1 ZINC000416055904 513558467 /nfs/dbraw/zinc/55/84/67/513558467.db2.gz XQCUYIAFJJVMLK-HNNXBMFYSA-N 1 3 372.435 2.620 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418562183 513560179 /nfs/dbraw/zinc/56/01/79/513560179.db2.gz UAUAPDBIDVQCTN-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451187194 513575009 /nfs/dbraw/zinc/57/50/09/513575009.db2.gz OSJUPKINDRGHSA-WWMYMODYSA-N 1 3 355.526 2.996 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000418609712 513576335 /nfs/dbraw/zinc/57/63/35/513576335.db2.gz SPFKHDOEOOLDTC-RHSMWYFYSA-N 1 3 352.910 2.554 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000418610353 513576720 /nfs/dbraw/zinc/57/67/20/513576720.db2.gz UGKMGDZOBBBEHK-BMHOQUIDSA-N 1 3 350.551 2.669 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418610118 513576905 /nfs/dbraw/zinc/57/69/05/513576905.db2.gz FOMWALHIPWLJCM-QGZVKYPTSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418612484 513577689 /nfs/dbraw/zinc/57/76/89/513577689.db2.gz HVPXVQZTANTMAC-SYYKKAFVSA-N 1 3 370.541 2.682 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21)Cc1ccco1 ZINC000418646274 513590548 /nfs/dbraw/zinc/59/05/48/513590548.db2.gz WZLUUWPJDCCEKM-HXUWFJFHSA-N 1 3 370.497 2.630 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000422154779 513602800 /nfs/dbraw/zinc/60/28/00/513602800.db2.gz IJVFQLUIEZXOQN-VQTJNVASSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000422154779 513602809 /nfs/dbraw/zinc/60/28/09/513602809.db2.gz IJVFQLUIEZXOQN-VQTJNVASSA-N 1 3 358.530 2.868 20 0 FFADHO CN1C[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000416184935 513631399 /nfs/dbraw/zinc/63/13/99/513631399.db2.gz RGAADQATQLRAOB-QHAWAJNXSA-N 1 3 351.494 2.893 20 0 FFADHO C[C@H]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418771321 513649527 /nfs/dbraw/zinc/64/95/27/513649527.db2.gz OZRFLUHONRIYQE-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418779181 513654238 /nfs/dbraw/zinc/65/42/38/513654238.db2.gz AZIKTAVHVYORDU-MHTWAQMVSA-N 1 3 370.541 2.681 20 0 FFADHO CSc1c(F)cccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000435684318 513656228 /nfs/dbraw/zinc/65/62/28/513656228.db2.gz UUWDWLSNTLWIFR-UHFFFAOYSA-N 1 3 365.518 2.836 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418794176 513660221 /nfs/dbraw/zinc/66/02/21/513660221.db2.gz PEAIFJFXIPREFR-IPMKNSEASA-N 1 3 350.551 2.528 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448208330 513708245 /nfs/dbraw/zinc/70/82/45/513708245.db2.gz GYKGBOVMIKTYDQ-RMJJICAUSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448208330 513708249 /nfs/dbraw/zinc/70/82/49/513708249.db2.gz GYKGBOVMIKTYDQ-RMJJICAUSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448208327 513708351 /nfs/dbraw/zinc/70/83/51/513708351.db2.gz GYKGBOVMIKTYDQ-AJYBTWMASA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448208327 513708357 /nfs/dbraw/zinc/70/83/57/513708357.db2.gz GYKGBOVMIKTYDQ-AJYBTWMASA-N 1 3 362.562 2.908 20 0 FFADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000416331778 513714956 /nfs/dbraw/zinc/71/49/56/513714956.db2.gz DLHIPECZNAIMKW-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO COCC[C@]1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000430726900 513735188 /nfs/dbraw/zinc/73/51/88/513735188.db2.gz WQDLQYGZJDPZHN-KAGYGMCKSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442609285 513745325 /nfs/dbraw/zinc/74/53/25/513745325.db2.gz LERWJGFYJIURHS-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO COC1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC[NH2+]CC1 ZINC000442748690 513767230 /nfs/dbraw/zinc/76/72/30/513767230.db2.gz LDJPPLYRJXNFND-UHFFFAOYSA-N 1 3 356.470 2.948 20 0 FFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442827453 513788958 /nfs/dbraw/zinc/78/89/58/513788958.db2.gz KSISXXXGSJRWTR-ABHNRTSZSA-N 1 3 367.484 2.689 20 0 FFADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430953676 513791517 /nfs/dbraw/zinc/79/15/17/513791517.db2.gz UPADXPNCYHOPIA-OXJNMPFZSA-N 1 3 359.514 2.808 20 0 FFADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000431017917 513806819 /nfs/dbraw/zinc/80/68/19/513806819.db2.gz SLPZACANNZAVOF-UHFFFAOYSA-N 1 3 355.526 2.543 20 0 FFADHO COCC[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000431067362 513818058 /nfs/dbraw/zinc/81/80/58/513818058.db2.gz WCVOUMRPVQAAIW-IRLDBZIGSA-N 1 3 373.541 2.592 20 0 FFADHO O=C(N1CCN2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442972575 513832321 /nfs/dbraw/zinc/83/23/21/513832321.db2.gz YNKFGSBDOWWMCA-KCZVDYSFSA-N 1 3 353.510 2.595 20 0 FFADHO O=C(N1CCN2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442972575 513832329 /nfs/dbraw/zinc/83/23/29/513832329.db2.gz YNKFGSBDOWWMCA-KCZVDYSFSA-N 1 3 353.510 2.595 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cc(F)ccc2OC)CC[NH2+]CC1 ZINC000422692962 513905508 /nfs/dbraw/zinc/90/55/08/513905508.db2.gz LECHCWYHESZNDP-UONOGXRCSA-N 1 3 352.450 2.806 20 0 FFADHO COc1cc(C[C@H](CO)CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc(OC)c1 ZINC000422825255 513943726 /nfs/dbraw/zinc/94/37/26/513943726.db2.gz PPGPGXXATCFEPR-YTQUADARSA-N 1 3 364.530 2.755 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000422862031 513955635 /nfs/dbraw/zinc/95/56/35/513955635.db2.gz NEKXPHBQKDJCJS-IERDGZPVSA-N 1 3 369.484 2.978 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000416789141 513969233 /nfs/dbraw/zinc/96/92/33/513969233.db2.gz RSOVXSJGGCFDCB-QWFCFKBJSA-N 1 3 358.530 2.888 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000416805131 513974538 /nfs/dbraw/zinc/97/45/38/513974538.db2.gz KMXDINYMRIKFTJ-FQEVSTJZSA-N 1 3 354.498 2.850 20 0 FFADHO CC(C)(CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCCCC1 ZINC000416827572 513985205 /nfs/dbraw/zinc/98/52/05/513985205.db2.gz LAQAJRCUTDIPCJ-QGZVFWFLSA-N 1 3 350.551 2.671 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000416834421 513990376 /nfs/dbraw/zinc/99/03/76/513990376.db2.gz XWWDJSISKNECDS-LPHOPBHVSA-N 1 3 362.518 2.649 20 0 FFADHO O[C@@H]1C[C@H](C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)N(Cc2ccccc2)C1 ZINC000422965074 513993039 /nfs/dbraw/zinc/99/30/39/513993039.db2.gz NMVTZFZFGADQDP-AFXVXQJMSA-N 1 3 365.521 2.705 20 0 FFADHO O[C@@H]1C[C@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)N(Cc2ccccc2)C1 ZINC000422965074 513993046 /nfs/dbraw/zinc/99/30/46/513993046.db2.gz NMVTZFZFGADQDP-AFXVXQJMSA-N 1 3 365.521 2.705 20 0 FFADHO [NH3+]CCCN(CC1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416845050 513998704 /nfs/dbraw/zinc/99/87/04/513998704.db2.gz QUVLMQNLAATRHR-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000416849894 514001022 /nfs/dbraw/zinc/00/10/22/514001022.db2.gz YPTNHSRTQFTCEL-TZIWHRDSSA-N 1 3 358.530 2.637 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000416850708 514001536 /nfs/dbraw/zinc/00/15/36/514001536.db2.gz KKKMHCXCQFJJBF-HQRMLTQVSA-N 1 3 374.529 2.649 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000416853074 514004350 /nfs/dbraw/zinc/00/43/50/514004350.db2.gz TXIRNNCAJAJICR-HZPDHXFCSA-N 1 3 350.532 2.558 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416855375 514006610 /nfs/dbraw/zinc/00/66/10/514006610.db2.gz PYNQHBVYSDADLE-XLIONFOSSA-N 1 3 374.529 2.521 20 0 FFADHO Cc1ccccc1C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000414201070 514009798 /nfs/dbraw/zinc/00/97/98/514009798.db2.gz SJMHANUASIDUTF-JOCHJYFZSA-N 1 3 371.569 2.702 20 0 FFADHO CN(CCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416872988 514016154 /nfs/dbraw/zinc/01/61/54/514016154.db2.gz MTHJJDXLDFAHBZ-WOJBJXKFSA-N 1 3 358.530 2.540 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CC[NH2+]CC[C@@H]3C)nc12 ZINC000423041410 514017026 /nfs/dbraw/zinc/01/70/26/514017026.db2.gz XABLNBGXVKRIPU-BLLLJJGKSA-N 1 3 365.319 2.925 20 0 FFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCNCC[C@@H]3C)nc12 ZINC000423041410 514017028 /nfs/dbraw/zinc/01/70/28/514017028.db2.gz XABLNBGXVKRIPU-BLLLJJGKSA-N 1 3 365.319 2.925 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423052184 514019361 /nfs/dbraw/zinc/01/93/61/514019361.db2.gz PYNDINUVASZBBJ-STECZYCISA-N 1 3 359.436 2.650 20 0 FFADHO C[NH+](C)CC1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000449011171 514025948 /nfs/dbraw/zinc/02/59/48/514025948.db2.gz ORNNKWDMSQHSOJ-UHFFFAOYSA-N 1 3 351.922 2.950 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000414272174 514028906 /nfs/dbraw/zinc/02/89/06/514028906.db2.gz RNKANFGOOMEKOG-PSWRPDDJSA-N 1 3 359.558 2.843 20 0 FFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423073776 514029492 /nfs/dbraw/zinc/02/94/92/514029492.db2.gz JSGXTJCRJDWMKS-DFEHZGFQSA-N 1 3 356.432 2.765 20 0 FFADHO O=C(Cc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423098484 514040366 /nfs/dbraw/zinc/04/03/66/514040366.db2.gz CWJVIULEEVKTFE-XSDIEEQYSA-N 1 3 355.526 2.730 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](COC)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000423119424 514049461 /nfs/dbraw/zinc/04/94/61/514049461.db2.gz CIEFNBWCCUUCAY-RHSMWYFYSA-N 1 3 368.905 2.939 20 0 FFADHO CN(Cc1ccccc1)C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423155583 514063337 /nfs/dbraw/zinc/06/33/37/514063337.db2.gz QUWIZSJFYYKJJS-NJDAHSKKSA-N 1 3 357.542 2.788 20 0 FFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000449084123 514064780 /nfs/dbraw/zinc/06/47/80/514064780.db2.gz WPVQDAVJEICCTG-KURKYZTESA-N 1 3 362.514 2.832 20 0 FFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449084121 514064792 /nfs/dbraw/zinc/06/47/92/514064792.db2.gz WPVQDAVJEICCTG-FGTMMUONSA-N 1 3 362.514 2.832 20 0 FFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449084121 514064796 /nfs/dbraw/zinc/06/47/96/514064796.db2.gz WPVQDAVJEICCTG-FGTMMUONSA-N 1 3 362.514 2.832 20 0 FFADHO C[C@H]1C[C@@H](CCNCc2cnc(N(C)C)n2C)C[N@@H+]1Cc1ccccc1 ZINC000414365543 514067499 /nfs/dbraw/zinc/06/74/99/514067499.db2.gz MCOMRQVLZBRHEF-PKOBYXMFSA-N 1 3 355.530 2.876 20 0 FFADHO C[C@H]1C[C@@H](CCNCc2cnc(N(C)C)n2C)C[N@H+]1Cc1ccccc1 ZINC000414365543 514067503 /nfs/dbraw/zinc/06/75/03/514067503.db2.gz MCOMRQVLZBRHEF-PKOBYXMFSA-N 1 3 355.530 2.876 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170872 514067737 /nfs/dbraw/zinc/06/77/37/514067737.db2.gz MZMVZNVJAGUJPH-XKQJLSEDSA-N 1 3 373.310 2.989 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170870 514068219 /nfs/dbraw/zinc/06/82/19/514068219.db2.gz MZMVZNVJAGUJPH-IAOVAPTHSA-N 1 3 373.310 2.989 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCNC(C)(C)C3)cc2)C1 ZINC000416965718 514072882 /nfs/dbraw/zinc/07/28/82/514072882.db2.gz DQFZREUYWCJPTC-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCNC(C)(C)C3)cc2)C1 ZINC000416965718 514072887 /nfs/dbraw/zinc/07/28/87/514072887.db2.gz DQFZREUYWCJPTC-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN[C@H](C)[C@H]3C)cc2)C1 ZINC000416969518 514075737 /nfs/dbraw/zinc/07/57/37/514075737.db2.gz KRSPWRHYFUTVBN-KZNAEPCWSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN[C@H](C)[C@H]3C)cc2)C1 ZINC000416969518 514075744 /nfs/dbraw/zinc/07/57/44/514075744.db2.gz KRSPWRHYFUTVBN-KZNAEPCWSA-N 1 3 358.530 2.810 20 0 FFADHO Fc1cc(Br)ccc1[C@@H](NCCN1CC[NH2+]CC1)C1CC1 ZINC000423202997 514078877 /nfs/dbraw/zinc/07/88/77/514078877.db2.gz LXTYQWMFPBXYAM-INIZCTEOSA-N 1 3 356.283 2.534 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000420298149 514078876 /nfs/dbraw/zinc/07/88/76/514078876.db2.gz GVRGHRVPKMRQDF-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO Clc1cc2c(c(Br)c1)CC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423204138 514079003 /nfs/dbraw/zinc/07/90/03/514079003.db2.gz NRJJSGZUEQJYGN-HNNXBMFYSA-N 1 3 358.711 2.585 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449133392 514085940 /nfs/dbraw/zinc/08/59/40/514085940.db2.gz YGJVCTJMZWKJCP-CQSZACIVSA-N 1 3 372.326 2.951 20 0 FFADHO c1sc(-c2ccccc2)nc1CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420315188 514088592 /nfs/dbraw/zinc/08/85/92/514088592.db2.gz ZXGFKKDIDTYEFE-KRWDZBQOSA-N 1 3 356.539 2.927 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000420326042 514094577 /nfs/dbraw/zinc/09/45/77/514094577.db2.gz JBNLNCRLDBGDEC-UXHICEINSA-N 1 3 355.526 2.808 20 0 FFADHO CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329058 514096950 /nfs/dbraw/zinc/09/69/50/514096950.db2.gz FZLKVCZELAPIPL-HDICACEKSA-N 1 3 361.505 2.884 20 0 FFADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335395 514099970 /nfs/dbraw/zinc/09/99/70/514099970.db2.gz HHMOOHUJOJDQCO-KGLIPLIRSA-N 1 3 355.935 2.681 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)c1ccsc1 ZINC000416999179 514105712 /nfs/dbraw/zinc/10/57/12/514105712.db2.gz BQFAKDQMYKENLS-DOTOQJQBSA-N 1 3 352.548 2.772 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccc(Br)cc1 ZINC000420368577 514111249 /nfs/dbraw/zinc/11/12/49/514111249.db2.gz UGKPKFRBGJKQRH-AWEZNQCLSA-N 1 3 354.292 2.755 20 0 FFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000420368577 514111259 /nfs/dbraw/zinc/11/12/59/514111259.db2.gz UGKPKFRBGJKQRH-AWEZNQCLSA-N 1 3 354.292 2.755 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000420365655 514112578 /nfs/dbraw/zinc/11/25/78/514112578.db2.gz FDGHWUPPRNYXEA-ULQDDVLXSA-N 1 3 356.432 2.972 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000420365655 514112585 /nfs/dbraw/zinc/11/25/85/514112585.db2.gz FDGHWUPPRNYXEA-ULQDDVLXSA-N 1 3 356.432 2.972 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000420366833 514112666 /nfs/dbraw/zinc/11/26/66/514112666.db2.gz UPKWYUBOBVVTNU-DLBZAZTESA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000420366833 514112667 /nfs/dbraw/zinc/11/26/67/514112667.db2.gz UPKWYUBOBVVTNU-DLBZAZTESA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000420366833 514112668 /nfs/dbraw/zinc/11/26/68/514112668.db2.gz UPKWYUBOBVVTNU-DLBZAZTESA-N 1 3 355.486 2.544 20 0 FFADHO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000423340947 514114241 /nfs/dbraw/zinc/11/42/41/514114241.db2.gz WBRQGJAWVPOXLF-HXUWFJFHSA-N 1 3 359.514 2.880 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccsc1 ZINC000417010714 514114304 /nfs/dbraw/zinc/11/43/04/514114304.db2.gz PZSLSUNRJVDVHD-RHSMWYFYSA-N 1 3 352.548 2.900 20 0 FFADHO Cc1cc(OCC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)ccc1C(C)C ZINC000420373283 514114470 /nfs/dbraw/zinc/11/44/70/514114470.db2.gz FYWTZNPNPMHSHT-GOSISDBHSA-N 1 3 357.502 2.885 20 0 FFADHO Cc1cc(OCC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)ccc1C(C)C ZINC000420373283 514114477 /nfs/dbraw/zinc/11/44/77/514114477.db2.gz FYWTZNPNPMHSHT-GOSISDBHSA-N 1 3 357.502 2.885 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417011339 514117088 /nfs/dbraw/zinc/11/70/88/514117088.db2.gz RQFIGNWUMDQQJX-AEFFLSMTSA-N 1 3 350.532 2.526 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420382737 514119099 /nfs/dbraw/zinc/11/90/99/514119099.db2.gz DBPWADVTAUARHR-WOJBJXKFSA-N 1 3 368.529 2.974 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)ccc2o1 ZINC000420387188 514121415 /nfs/dbraw/zinc/12/14/15/514121415.db2.gz JYKRTXBCVFUTMC-MJGOQNOKSA-N 1 3 372.465 2.938 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)N1CCc2ccccc2C1 ZINC000417019756 514124127 /nfs/dbraw/zinc/12/41/27/514124127.db2.gz RCFCBGWSFYNSOL-UZLBHIALSA-N 1 3 358.530 2.592 20 0 FFADHO CSC1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CC[NH+](C)CC1 ZINC000427211682 514151221 /nfs/dbraw/zinc/15/12/21/514151221.db2.gz MDMIDDAFVMNXHJ-KRWDZBQOSA-N 1 3 353.576 2.727 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449313172 514159605 /nfs/dbraw/zinc/15/96/05/514159605.db2.gz VFIFXFCFMMQLPM-HSZRJFAPSA-N 1 3 363.505 2.699 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417088376 514163555 /nfs/dbraw/zinc/16/35/55/514163555.db2.gz KHLOVJZDBSODMQ-YOFSQIOKSA-N 1 3 370.541 2.748 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)OCCCCO2 ZINC000449325687 514167221 /nfs/dbraw/zinc/16/72/21/514167221.db2.gz OSXZMPIFMHGGSH-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1(C)C ZINC000423737211 514214306 /nfs/dbraw/zinc/21/43/06/514214306.db2.gz DWNALCLQIXAHAM-GHTZIAJQSA-N 1 3 361.530 2.629 20 0 FFADHO CC[C@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000423754142 514219829 /nfs/dbraw/zinc/21/98/29/514219829.db2.gz YJVHSXRUEKARRA-INIZCTEOSA-N 1 3 357.420 2.866 20 0 FFADHO CC[C@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000423754142 514219831 /nfs/dbraw/zinc/21/98/31/514219831.db2.gz YJVHSXRUEKARRA-INIZCTEOSA-N 1 3 357.420 2.866 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000417219731 514241201 /nfs/dbraw/zinc/24/12/01/514241201.db2.gz WLEJFMJXRFMKAC-QUCCMNQESA-N 1 3 358.530 2.758 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000417221188 514241229 /nfs/dbraw/zinc/24/12/29/514241229.db2.gz NMGPZTOXRVWTPC-ICSRJNTNSA-N 1 3 370.541 2.997 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)C1 ZINC000414706610 514250106 /nfs/dbraw/zinc/25/01/06/514250106.db2.gz OUTGYZSNKJLBCT-CABCVRRESA-N 1 3 367.896 2.683 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)C1 ZINC000414706610 514250109 /nfs/dbraw/zinc/25/01/09/514250109.db2.gz OUTGYZSNKJLBCT-CABCVRRESA-N 1 3 367.896 2.683 20 0 FFADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N1CCC(C)CC1 ZINC000414709124 514251770 /nfs/dbraw/zinc/25/17/70/514251770.db2.gz RALUIZHLSHDOPD-QFBILLFUSA-N 1 3 374.529 2.518 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)CCC3CC[NH2+]CC3)c2)CC1 ZINC000423839564 514257008 /nfs/dbraw/zinc/25/70/08/514257008.db2.gz HZPQABBSQSAQGR-UHFFFAOYSA-N 1 3 358.530 2.935 20 0 FFADHO C[C@@H]1C[C@H](CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)CC[NH2+]1 ZINC000414745147 514269930 /nfs/dbraw/zinc/26/99/30/514269930.db2.gz PCKIQYSEXBABFV-JFIYKMOQSA-N 1 3 363.933 2.803 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)C1 ZINC000414762582 514278903 /nfs/dbraw/zinc/27/89/03/514278903.db2.gz WAXCLYFAMYMAIN-OYNPSCLESA-N 1 3 355.526 2.842 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)C1 ZINC000414762582 514278909 /nfs/dbraw/zinc/27/89/09/514278909.db2.gz WAXCLYFAMYMAIN-OYNPSCLESA-N 1 3 355.526 2.842 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)N(C)C)cc1 ZINC000417310745 514286683 /nfs/dbraw/zinc/28/66/83/514286683.db2.gz KSUCAIVQXLBDOW-WOJBJXKFSA-N 1 3 358.530 2.771 20 0 FFADHO CC(C)C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)NCCN(C)C ZINC000417315550 514290306 /nfs/dbraw/zinc/29/03/06/514290306.db2.gz CLUDLRNJPLNNKJ-NXOAAHMSSA-N 1 3 351.560 2.922 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000420779552 514292814 /nfs/dbraw/zinc/29/28/14/514292814.db2.gz MIRKBRJUUGUDDS-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000417358483 514310991 /nfs/dbraw/zinc/31/09/91/514310991.db2.gz TYVOHXSPAVUOGC-WOJBJXKFSA-N 1 3 356.514 2.668 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@@H](C)CN1 ZINC000417384072 514324682 /nfs/dbraw/zinc/32/46/82/514324682.db2.gz XGEHNFKBWULFTB-MSOLQXFVSA-N 1 3 358.530 2.954 20 0 FFADHO CC(C)(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000424018583 514343688 /nfs/dbraw/zinc/34/36/88/514343688.db2.gz ITXWGCQHZXSTAU-OTWHNJEPSA-N 1 3 355.457 2.805 20 0 FFADHO CC(C)(C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000424026958 514347775 /nfs/dbraw/zinc/34/77/75/514347775.db2.gz LSEVTAMWOHOKTK-UHOSZYNNSA-N 1 3 355.457 2.805 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000444855091 514352356 /nfs/dbraw/zinc/35/23/56/514352356.db2.gz XRMYVOBRQREHMD-UHFFFAOYSA-N 1 3 352.567 2.920 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000420894448 514359771 /nfs/dbraw/zinc/35/97/71/514359771.db2.gz ROJZCFHHVCZFMV-IHJVYAAUSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000420924517 514379845 /nfs/dbraw/zinc/37/98/45/514379845.db2.gz JZQHGDJCGFPCGA-RTBURBONSA-N 1 3 367.578 2.845 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000420924517 514379847 /nfs/dbraw/zinc/37/98/47/514379847.db2.gz JZQHGDJCGFPCGA-RTBURBONSA-N 1 3 367.578 2.845 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417533578 514396053 /nfs/dbraw/zinc/39/60/53/514396053.db2.gz NBYJEKLLHPOCHP-JZXOWHBKSA-N 1 3 350.551 2.669 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3nc4cccnc4s3)CC2)CC1 ZINC000420987059 514426524 /nfs/dbraw/zinc/42/65/24/514426524.db2.gz ZQRMMZDPBXRQSP-UHFFFAOYSA-N 1 3 359.543 2.683 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3nc4cccnc4s3)CC2)CC1 ZINC000420987059 514426529 /nfs/dbraw/zinc/42/65/29/514426529.db2.gz ZQRMMZDPBXRQSP-UHFFFAOYSA-N 1 3 359.543 2.683 20 0 FFADHO COC(=O)CC1CC([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000424249715 514431373 /nfs/dbraw/zinc/43/13/73/514431373.db2.gz AWHUOLLQLVGIGR-UHFFFAOYSA-N 1 3 373.541 2.829 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1c(Cl)cccc1Cl ZINC000415075986 514431947 /nfs/dbraw/zinc/43/19/47/514431947.db2.gz CBJMUVYFSGGJTL-STQMWFEESA-N 1 3 358.313 2.884 20 0 FFADHO CCCN(C(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000417624640 514442522 /nfs/dbraw/zinc/44/25/22/514442522.db2.gz KXCAKLOMKIZTJG-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424298191 514450607 /nfs/dbraw/zinc/45/06/07/514450607.db2.gz UBDJJGJBGILKNI-GOSISDBHSA-N 1 3 355.526 2.950 20 0 FFADHO CC1CC[NH+](CCC[C@@H](NC[C@@H](O)CN(C)C)c2ccc(F)cc2)CC1 ZINC000438840532 514451840 /nfs/dbraw/zinc/45/18/40/514451840.db2.gz XTRYXFPEVVORDZ-NHCUHLMSSA-N 1 3 365.537 2.891 20 0 FFADHO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415120951 514452565 /nfs/dbraw/zinc/45/25/65/514452565.db2.gz GULDOGIQKXXOIB-KRWDZBQOSA-N 1 3 351.454 2.736 20 0 FFADHO COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415120951 514452571 /nfs/dbraw/zinc/45/25/71/514452571.db2.gz GULDOGIQKXXOIB-KRWDZBQOSA-N 1 3 351.454 2.736 20 0 FFADHO CSc1ccccc1OC[C@@H](O)CN(C[C@H]1CCC[NH2+]C1)C(C)C ZINC000415128171 514457846 /nfs/dbraw/zinc/45/78/46/514457846.db2.gz SMLVOSDDTHOQIY-IRXDYDNUSA-N 1 3 352.544 2.858 20 0 FFADHO CSc1ccccc1OC[C@@H](O)C[N@H+](C[C@H]1CCCNC1)C(C)C ZINC000415128171 514457852 /nfs/dbraw/zinc/45/78/52/514457852.db2.gz SMLVOSDDTHOQIY-IRXDYDNUSA-N 1 3 352.544 2.858 20 0 FFADHO CSc1ccccc1OC[C@@H](O)C[N@@H+](C[C@H]1CCCNC1)C(C)C ZINC000415128171 514457857 /nfs/dbraw/zinc/45/78/57/514457857.db2.gz SMLVOSDDTHOQIY-IRXDYDNUSA-N 1 3 352.544 2.858 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421070862 514468984 /nfs/dbraw/zinc/46/89/84/514468984.db2.gz UWRPMOXXZVFKOS-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000439261699 514517490 /nfs/dbraw/zinc/51/74/90/514517490.db2.gz WJLCXYYOKLTJLE-MSOLQXFVSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)N(C)C)cc1 ZINC000433600767 514528173 /nfs/dbraw/zinc/52/81/73/514528173.db2.gz UDQWEXYOWWTDDD-WOJBJXKFSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)N(C)C)cc1 ZINC000433600767 514528177 /nfs/dbraw/zinc/52/81/77/514528177.db2.gz UDQWEXYOWWTDDD-WOJBJXKFSA-N 1 3 358.530 2.914 20 0 FFADHO CN(C)C1(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)Cc2ccccc2C1 ZINC000466015679 514540426 /nfs/dbraw/zinc/54/04/26/514540426.db2.gz ISUNTRNOGBNQSB-FQEVSTJZSA-N 1 3 372.557 2.601 20 0 FFADHO CN(C)C1(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)Cc2ccccc2C1 ZINC000466015679 514540428 /nfs/dbraw/zinc/54/04/28/514540428.db2.gz ISUNTRNOGBNQSB-FQEVSTJZSA-N 1 3 372.557 2.601 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)CO2 ZINC000453105539 514546020 /nfs/dbraw/zinc/54/60/20/514546020.db2.gz WXDPCZGIYCABII-IBGZPJMESA-N 1 3 370.493 2.771 20 0 FFADHO COCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453123191 514551967 /nfs/dbraw/zinc/55/19/67/514551967.db2.gz QTZJVYYPZYPZHK-BHDDXSALSA-N 1 3 359.558 2.988 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000466091093 514557131 /nfs/dbraw/zinc/55/71/31/514557131.db2.gz DQFGHHBKGMGVQD-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000466136420 514565241 /nfs/dbraw/zinc/56/52/41/514565241.db2.gz DZBNMEWLEMJEFE-HYVNUMGLSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000466136420 514565242 /nfs/dbraw/zinc/56/52/42/514565242.db2.gz DZBNMEWLEMJEFE-HYVNUMGLSA-N 1 3 362.543 2.667 20 0 FFADHO COc1ccc([C@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000475137780 514569115 /nfs/dbraw/zinc/56/91/15/514569115.db2.gz SUTHPGRVQKDEJG-JXFKEZNVSA-N 1 3 355.482 2.765 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CN1Cc1ccccc1 ZINC000466210925 514577101 /nfs/dbraw/zinc/57/71/01/514577101.db2.gz OMYWKQXNSQSMPD-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CN1Cc1ccccc1 ZINC000466210925 514577110 /nfs/dbraw/zinc/57/71/10/514577110.db2.gz OMYWKQXNSQSMPD-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453274545 514585781 /nfs/dbraw/zinc/58/57/81/514585781.db2.gz WKUODBSWEOUODN-KAOXLYBCSA-N 1 3 371.569 2.866 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453274545 514585788 /nfs/dbraw/zinc/58/57/88/514585788.db2.gz WKUODBSWEOUODN-KAOXLYBCSA-N 1 3 371.569 2.866 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453274545 514585793 /nfs/dbraw/zinc/58/57/93/514585793.db2.gz WKUODBSWEOUODN-KAOXLYBCSA-N 1 3 371.569 2.866 20 0 FFADHO CN(CCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000470750421 514593463 /nfs/dbraw/zinc/59/34/63/514593463.db2.gz WBWDGLABGSYZPC-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO CN(CCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000470750421 514593470 /nfs/dbraw/zinc/59/34/70/514593470.db2.gz WBWDGLABGSYZPC-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000466400182 514636971 /nfs/dbraw/zinc/63/69/71/514636971.db2.gz TZCUYBQVJBXQFN-OXJNMPFZSA-N 1 3 356.514 2.564 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488959609 514650606 /nfs/dbraw/zinc/65/06/06/514650606.db2.gz DAAIXTBNESKLKP-VNYTWHDVSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488959609 514650615 /nfs/dbraw/zinc/65/06/15/514650615.db2.gz DAAIXTBNESKLKP-VNYTWHDVSA-N 1 3 372.557 2.879 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000458259547 514668741 /nfs/dbraw/zinc/66/87/41/514668741.db2.gz GSZQHAMDZOZMJW-SFTDATJTSA-N 1 3 372.557 2.675 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000458259547 514668745 /nfs/dbraw/zinc/66/87/45/514668745.db2.gz GSZQHAMDZOZMJW-SFTDATJTSA-N 1 3 372.557 2.675 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cncc(Cl)c1C ZINC000455711781 514698184 /nfs/dbraw/zinc/69/81/84/514698184.db2.gz LDDJQGLNWASOKC-OAHLLOKOSA-N 1 3 367.925 2.923 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cncc(Cl)c1C ZINC000455711781 514698192 /nfs/dbraw/zinc/69/81/92/514698192.db2.gz LDDJQGLNWASOKC-OAHLLOKOSA-N 1 3 367.925 2.923 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000461717339 514703642 /nfs/dbraw/zinc/70/36/42/514703642.db2.gz SKTKLNBKPIGLKU-HBFSDRIKSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+]1CCN(c2ccccc2CN2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000475625690 514740349 /nfs/dbraw/zinc/74/03/49/514740349.db2.gz MGJQXOSHUMZNAE-QFIPXVFZSA-N 1 3 373.541 2.598 20 0 FFADHO CCN1CCC([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000461797571 514744531 /nfs/dbraw/zinc/74/45/31/514744531.db2.gz RXHJVEBCRKLXON-UHFFFAOYSA-N 1 3 358.574 2.971 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)[C@H]2C1 ZINC000498105469 514761626 /nfs/dbraw/zinc/76/16/26/514761626.db2.gz BGFJGHDJCBAVGG-NQIIRXRSSA-N 1 3 370.541 2.908 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000498113280 514766956 /nfs/dbraw/zinc/76/69/56/514766956.db2.gz ZAHUOLAQOMZPAV-LEWJYISDSA-N 1 3 370.541 2.908 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000498121992 514769424 /nfs/dbraw/zinc/76/94/24/514769424.db2.gz XZTMXGAKHKQXOS-WBVHZDCISA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)N1CCc2ccccc2C1 ZINC000498141301 514776608 /nfs/dbraw/zinc/77/66/08/514776608.db2.gz HTGFQRNZXOEPFF-TYPHKJRUSA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)N1CCc2ccccc2C1 ZINC000498141301 514776618 /nfs/dbraw/zinc/77/66/18/514776618.db2.gz HTGFQRNZXOEPFF-TYPHKJRUSA-N 1 3 370.541 2.559 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000458419566 514782814 /nfs/dbraw/zinc/78/28/14/514782814.db2.gz QOSYBPUQWBQVPM-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000458419566 514782819 /nfs/dbraw/zinc/78/28/19/514782819.db2.gz QOSYBPUQWBQVPM-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)Cc1ccccc1 ZINC000498165019 514788008 /nfs/dbraw/zinc/78/80/08/514788008.db2.gz HYWQQEPZEFCHCX-HKBOAZHASA-N 1 3 372.557 2.675 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])c(C)c2)CC1 ZINC000498195552 514797728 /nfs/dbraw/zinc/79/77/28/514797728.db2.gz LMOFPCHBSWTGIM-NQIIRXRSSA-N 1 3 358.530 2.983 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000498195526 514798398 /nfs/dbraw/zinc/79/83/98/514798398.db2.gz LBDUUWJZYQUSRG-VBQJREDUSA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000498195526 514798407 /nfs/dbraw/zinc/79/84/07/514798407.db2.gz LBDUUWJZYQUSRG-VBQJREDUSA-N 1 3 353.457 2.763 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000484804835 514800536 /nfs/dbraw/zinc/80/05/36/514800536.db2.gz AOYUURBGPJBTJK-CRAIPNDOSA-N 1 3 362.518 2.882 20 0 FFADHO CS[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@@H]1N(C)C ZINC000455873636 514803561 /nfs/dbraw/zinc/80/35/61/514803561.db2.gz ZUCKSQMRIIVHOC-OKZBNKHCSA-N 1 3 362.543 2.745 20 0 FFADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000498207287 514805247 /nfs/dbraw/zinc/80/52/47/514805247.db2.gz WWWPXARZJQROPW-IFMALSPDSA-N 1 3 372.557 2.613 20 0 FFADHO N[C@H](CC(F)F)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000498210735 514806614 /nfs/dbraw/zinc/80/66/14/514806614.db2.gz AHTXEBVSMBSUSM-GOSISDBHSA-N 1 3 367.484 2.820 20 0 FFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000502900809 514835910 /nfs/dbraw/zinc/83/59/10/514835910.db2.gz YLSPQLJLAKEDMD-IBGZPJMESA-N 1 3 350.551 2.911 20 0 FFADHO COc1cc2c(cc1F)nccc2N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000480112050 514844782 /nfs/dbraw/zinc/84/47/82/514844782.db2.gz JTWSAPCWGQRPEV-OAHLLOKOSA-N 1 3 372.488 2.987 20 0 FFADHO COc1cc2c(cc1F)nccc2N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000480112050 514844787 /nfs/dbraw/zinc/84/47/87/514844787.db2.gz JTWSAPCWGQRPEV-OAHLLOKOSA-N 1 3 372.488 2.987 20 0 FFADHO COc1cc2c(cc1F)nccc2N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000480112050 514844794 /nfs/dbraw/zinc/84/47/94/514844794.db2.gz JTWSAPCWGQRPEV-OAHLLOKOSA-N 1 3 372.488 2.987 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCN1CCCCC1 ZINC000471371926 514854264 /nfs/dbraw/zinc/85/42/64/514854264.db2.gz AXEPFYVBWJFKMN-RTBURBONSA-N 1 3 372.557 2.928 20 0 FFADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCC[NH+]1CCCCCC1 ZINC000462059984 514855122 /nfs/dbraw/zinc/85/51/22/514855122.db2.gz QTJNGVQTRKCDAU-UHFFFAOYSA-N 1 3 372.557 2.581 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCN1CCc2ccccc2C1 ZINC000471379308 514856187 /nfs/dbraw/zinc/85/61/87/514856187.db2.gz GRDVRLMYXBICMB-GUDVDZBRSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CN1Cc1ccccc1 ZINC000458561548 514903023 /nfs/dbraw/zinc/90/30/23/514903023.db2.gz RAHDEOMGSPHDCO-CBQOVEMMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CN1Cc1ccccc1 ZINC000458561548 514903034 /nfs/dbraw/zinc/90/30/34/514903034.db2.gz RAHDEOMGSPHDCO-CBQOVEMMSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458653189 514991721 /nfs/dbraw/zinc/99/17/21/514991721.db2.gz QAYJPONXXMDGLM-YZGWKJHDSA-N 1 3 358.530 2.631 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458653189 514991726 /nfs/dbraw/zinc/99/17/26/514991726.db2.gz QAYJPONXXMDGLM-YZGWKJHDSA-N 1 3 358.530 2.631 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccc(F)cc1 ZINC000503376432 515014622 /nfs/dbraw/zinc/01/46/22/515014622.db2.gz SLZDOASUWDNLPK-ZWKOTPCHSA-N 1 3 364.509 2.848 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccc(F)cc1 ZINC000503376432 515014628 /nfs/dbraw/zinc/01/46/28/515014628.db2.gz SLZDOASUWDNLPK-ZWKOTPCHSA-N 1 3 364.509 2.848 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000476381988 515027269 /nfs/dbraw/zinc/02/72/69/515027269.db2.gz VLUOAPBPNFFMSK-FQEVSTJZSA-N 1 3 356.514 2.661 20 0 FFADHO FC(F)(F)c1cccc(OCCCCN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489930000 515035625 /nfs/dbraw/zinc/03/56/25/515035625.db2.gz DEHWTPWOXONGRQ-QGZVFWFLSA-N 1 3 371.447 2.844 20 0 FFADHO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000503557825 515081723 /nfs/dbraw/zinc/08/17/23/515081723.db2.gz LWZBPJFSCZPLJP-PZJWPPBQSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@@H](C)C1 ZINC000458839450 515133280 /nfs/dbraw/zinc/13/32/80/515133280.db2.gz CZXKYUVTZMOMKO-IPMKNSEASA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000467899466 515158420 /nfs/dbraw/zinc/15/84/20/515158420.db2.gz HNNPWXNZSUIYMC-UHFFFAOYSA-N 1 3 362.518 2.965 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000458882385 515170192 /nfs/dbraw/zinc/17/01/92/515170192.db2.gz DZRDKDDJAXQCRE-QAPCUYQASA-N 1 3 364.559 2.604 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472229806 515177475 /nfs/dbraw/zinc/17/74/75/515177475.db2.gz CMUVYQVDGRMLDG-UXHICEINSA-N 1 3 372.557 2.928 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472229806 515177481 /nfs/dbraw/zinc/17/74/81/515177481.db2.gz CMUVYQVDGRMLDG-UXHICEINSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000481107910 515209359 /nfs/dbraw/zinc/20/93/59/515209359.db2.gz NAJLGICHTKPDJV-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000458931051 515210787 /nfs/dbraw/zinc/21/07/87/515210787.db2.gz FTFSCCFBFLBISS-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000472313337 515220227 /nfs/dbraw/zinc/22/02/27/515220227.db2.gz AKILCWVIEVWGLH-PKOBYXMFSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CN1Cc1ccccc1 ZINC000499195296 515233316 /nfs/dbraw/zinc/23/33/16/515233316.db2.gz TYTWMOKWRZYAOE-YXYSEUPNSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499195295 515233567 /nfs/dbraw/zinc/23/35/67/515233567.db2.gz TYTWMOKWRZYAOE-RMVXJAJNSA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccco1 ZINC000509580695 515243341 /nfs/dbraw/zinc/24/33/41/515243341.db2.gz ZLFUZOSAWCARKI-MLHJIOFPSA-N 1 3 362.518 2.977 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000509581386 515243607 /nfs/dbraw/zinc/24/36/07/515243607.db2.gz BTYHKIWZTUFQLU-MWDXBVQZSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000509581386 515243613 /nfs/dbraw/zinc/24/36/13/515243613.db2.gz BTYHKIWZTUFQLU-MWDXBVQZSA-N 1 3 350.507 2.833 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462796366 515249446 /nfs/dbraw/zinc/24/94/46/515249446.db2.gz OBZREMOVJUUFRX-UHFFFAOYSA-N 1 3 362.514 2.967 20 0 FFADHO CC1(C)CCCN(CCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000472387393 515255358 /nfs/dbraw/zinc/25/53/58/515255358.db2.gz WSOJFTKMGVHMLE-HXUWFJFHSA-N 1 3 372.557 2.930 20 0 FFADHO CC1(C)CCCN(CCNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000472387393 515255368 /nfs/dbraw/zinc/25/53/68/515255368.db2.gz WSOJFTKMGVHMLE-HXUWFJFHSA-N 1 3 372.557 2.930 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000504295648 515265247 /nfs/dbraw/zinc/26/52/47/515265247.db2.gz LZSYMELTDVWVCY-UXHICEINSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000504295648 515265255 /nfs/dbraw/zinc/26/52/55/515265255.db2.gz LZSYMELTDVWVCY-UXHICEINSA-N 1 3 370.541 2.749 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000490890202 515327201 /nfs/dbraw/zinc/32/72/01/515327201.db2.gz RRVLJVXJNNOEAY-HXUWFJFHSA-N 1 3 360.546 2.854 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000490890202 515327208 /nfs/dbraw/zinc/32/72/08/515327208.db2.gz RRVLJVXJNNOEAY-HXUWFJFHSA-N 1 3 360.546 2.854 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1OC ZINC000499498273 515346899 /nfs/dbraw/zinc/34/68/99/515346899.db2.gz KCTBVTPFJNATJP-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1OC ZINC000499498273 515346907 /nfs/dbraw/zinc/34/69/07/515346907.db2.gz KCTBVTPFJNATJP-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454373522 515438553 /nfs/dbraw/zinc/43/85/53/515438553.db2.gz RDFGJUHPRZYCIS-HKUYNNGSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454373522 515438564 /nfs/dbraw/zinc/43/85/64/515438564.db2.gz RDFGJUHPRZYCIS-HKUYNNGSSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000454453925 515502187 /nfs/dbraw/zinc/50/21/87/515502187.db2.gz LWBCFJPKAISNNQ-OAHLLOKOSA-N 1 3 372.504 2.670 20 0 FFADHO CC(C)=CCC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454459968 515505048 /nfs/dbraw/zinc/50/50/48/515505048.db2.gz QSVPTFRARAAPIR-QGZVFWFLSA-N 1 3 350.551 2.979 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000499970777 515541661 /nfs/dbraw/zinc/54/16/61/515541661.db2.gz VFQBHXKMNHKYRW-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000499970777 515541671 /nfs/dbraw/zinc/54/16/71/515541671.db2.gz VFQBHXKMNHKYRW-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1OC ZINC000459438753 515550751 /nfs/dbraw/zinc/55/07/51/515550751.db2.gz JNLQNYZOYNVIJJ-UHFFFAOYSA-N 1 3 355.438 2.635 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000500093463 515586682 /nfs/dbraw/zinc/58/66/82/515586682.db2.gz XMKBLFKERDLUBV-PXNSSMCTSA-N 1 3 373.545 2.781 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000500093463 515586695 /nfs/dbraw/zinc/58/66/95/515586695.db2.gz XMKBLFKERDLUBV-PXNSSMCTSA-N 1 3 373.545 2.781 20 0 FFADHO O=C(CCN1CCN(c2cc[nH+]c3ccccc32)CC1)N1CCCCC1 ZINC000459491101 515591329 /nfs/dbraw/zinc/59/13/29/515591329.db2.gz ZJNCTVSKMIRCDN-UHFFFAOYSA-N 1 3 352.482 2.759 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000457120257 515667372 /nfs/dbraw/zinc/66/73/72/515667372.db2.gz OAZQEONJYRXMQH-NRFANRHFSA-N 1 3 372.557 2.772 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000457120257 515667377 /nfs/dbraw/zinc/66/73/77/515667377.db2.gz OAZQEONJYRXMQH-NRFANRHFSA-N 1 3 372.557 2.772 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000463964338 515672973 /nfs/dbraw/zinc/67/29/73/515672973.db2.gz AEEYGWAUFOJDFR-FQEVSTJZSA-N 1 3 374.529 2.569 20 0 FFADHO CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000463964338 515672981 /nfs/dbraw/zinc/67/29/81/515672981.db2.gz AEEYGWAUFOJDFR-FQEVSTJZSA-N 1 3 374.529 2.569 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C(=O)NCC)CCC2)CC1 ZINC000486885904 515673618 /nfs/dbraw/zinc/67/36/18/515673618.db2.gz OKKAITIVOJLHNY-UHFFFAOYSA-N 1 3 372.557 2.615 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(OC(F)F)c1 ZINC000482565604 515721382 /nfs/dbraw/zinc/72/13/82/515721382.db2.gz YLJCKWFAWZLNGG-DZGCQCFKSA-N 1 3 355.429 2.526 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000500477963 515732280 /nfs/dbraw/zinc/73/22/80/515732280.db2.gz CZOPZRHDFVHSHD-UYAOXDASSA-N 1 3 373.541 2.877 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000478408910 515812473 /nfs/dbraw/zinc/81/24/73/515812473.db2.gz WEGXHAHQUUUIOV-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000469490229 515838641 /nfs/dbraw/zinc/83/86/41/515838641.db2.gz PUJUARYZMHWWCU-FHWLQOOXSA-N 1 3 373.541 2.875 20 0 FFADHO C[C@H](NC(=O)Nc1cccc(OCCN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000469514078 515847357 /nfs/dbraw/zinc/84/73/57/515847357.db2.gz REHWQHLRJZGYPS-HNNXBMFYSA-N 1 3 350.507 2.725 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000469567867 515870630 /nfs/dbraw/zinc/87/06/30/515870630.db2.gz YJHLCXSIJHNFSI-IHPCNDPISA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000469567867 515870636 /nfs/dbraw/zinc/87/06/36/515870636.db2.gz YJHLCXSIJHNFSI-IHPCNDPISA-N 1 3 360.546 2.925 20 0 FFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487551226 515902262 /nfs/dbraw/zinc/90/22/62/515902262.db2.gz SSVLDGRPVXTSMK-JYAXBFRTSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487551226 515902270 /nfs/dbraw/zinc/90/22/70/515902270.db2.gz SSVLDGRPVXTSMK-JYAXBFRTSA-N 1 3 372.557 2.531 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1cccc(OC)c1 ZINC000457549540 515962232 /nfs/dbraw/zinc/96/22/32/515962232.db2.gz CKMVLGZINBMJHE-GOSISDBHSA-N 1 3 364.534 2.718 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)[C@H](C)C1 ZINC000469791605 515968621 /nfs/dbraw/zinc/96/86/21/515968621.db2.gz SRFHYFKPSIEZHW-QRVBRYPASA-N 1 3 355.567 2.747 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000511659578 515987897 /nfs/dbraw/zinc/98/78/97/515987897.db2.gz USXONECKOBFEKC-HXUWFJFHSA-N 1 3 361.530 2.943 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000483237079 515996763 /nfs/dbraw/zinc/99/67/63/515996763.db2.gz YOSWCIUCIXYMPY-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000483237078 515997506 /nfs/dbraw/zinc/99/75/06/515997506.db2.gz YOSWCIUCIXYMPY-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccccc2OCC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000469861051 516002324 /nfs/dbraw/zinc/00/23/24/516002324.db2.gz HTMDUZTZNKUEMO-UYAOXDASSA-N 1 3 371.525 2.556 20 0 FFADHO COC1(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCCC1 ZINC000483259877 516007892 /nfs/dbraw/zinc/00/78/92/516007892.db2.gz GOPRBFPNSJAACV-UHFFFAOYSA-N 1 3 361.530 2.708 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)CC(C)C ZINC000457618454 516014269 /nfs/dbraw/zinc/01/42/69/516014269.db2.gz OBGLWWGMZYSOLX-ICSRJNTNSA-N 1 3 352.567 2.870 20 0 FFADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCc3nn(C)cc32)c1 ZINC000479064614 516044781 /nfs/dbraw/zinc/04/47/81/516044781.db2.gz GXGJQBLMAVOOTE-HXUWFJFHSA-N 1 3 372.513 2.544 20 0 FFADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCc3nn(C)cc32)c1 ZINC000479064614 516044791 /nfs/dbraw/zinc/04/47/91/516044791.db2.gz GXGJQBLMAVOOTE-HXUWFJFHSA-N 1 3 372.513 2.544 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000479208596 516108148 /nfs/dbraw/zinc/10/81/48/516108148.db2.gz BJRBBLGFBDIYBJ-NRFANRHFSA-N 1 3 369.484 2.957 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000457734547 516108156 /nfs/dbraw/zinc/10/81/56/516108156.db2.gz FQDNFVNTNYNZED-LJQANCHMSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000479209565 516111134 /nfs/dbraw/zinc/11/11/34/516111134.db2.gz UYIDPIJOTISFIY-UTKZUKDTSA-N 1 3 369.484 2.991 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000479222809 516113560 /nfs/dbraw/zinc/11/35/60/516113560.db2.gz XLDZXIFCAFEHOF-CDHQVMDDSA-N 1 3 355.457 2.647 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457753295 516123871 /nfs/dbraw/zinc/12/38/71/516123871.db2.gz XODPIFPTXUVHBC-QRVBRYPASA-N 1 3 364.578 2.870 20 0 FFADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC[C@H](C)C1 ZINC000501506770 516131166 /nfs/dbraw/zinc/13/11/66/516131166.db2.gz UKXQFBQWAFYTDG-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCCC[C@H]1C ZINC000501548531 516148189 /nfs/dbraw/zinc/14/81/89/516148189.db2.gz FHVAOUTZKFEFET-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000457792856 516151798 /nfs/dbraw/zinc/15/17/98/516151798.db2.gz BZWDRYRWSVCVBZ-HXUWFJFHSA-N 1 3 372.557 2.947 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000457792856 516151808 /nfs/dbraw/zinc/15/18/08/516151808.db2.gz BZWDRYRWSVCVBZ-HXUWFJFHSA-N 1 3 372.557 2.947 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000507335925 516175756 /nfs/dbraw/zinc/17/57/56/516175756.db2.gz YHCBLMVRHVANEO-PXNSSMCTSA-N 1 3 358.530 2.805 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C[C@@H]1C ZINC000483707617 516183358 /nfs/dbraw/zinc/18/33/58/516183358.db2.gz FHUXDABOMXXFDL-RXVVDRJESA-N 1 3 372.557 2.949 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C[C@@H]1C ZINC000483707617 516183364 /nfs/dbraw/zinc/18/33/64/516183364.db2.gz FHUXDABOMXXFDL-RXVVDRJESA-N 1 3 372.557 2.949 20 0 FFADHO CS[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1N(C)C ZINC000495581086 516191352 /nfs/dbraw/zinc/19/13/52/516191352.db2.gz UFOXFMMDBYAZHP-MOPGFXCFSA-N 1 3 361.555 2.790 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1)C1CC1 ZINC000495713633 516203458 /nfs/dbraw/zinc/20/34/58/516203458.db2.gz RTLMVZFWZMFRGQ-RBUKOAKNSA-N 1 3 361.555 2.789 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1)C1CC1 ZINC000495713633 516203468 /nfs/dbraw/zinc/20/34/68/516203468.db2.gz RTLMVZFWZMFRGQ-RBUKOAKNSA-N 1 3 361.555 2.789 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000507409179 516203801 /nfs/dbraw/zinc/20/38/01/516203801.db2.gz QVUWVVZAEVTEGY-NLWGTHIKSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000507409179 516203809 /nfs/dbraw/zinc/20/38/09/516203809.db2.gz QVUWVVZAEVTEGY-NLWGTHIKSA-N 1 3 358.530 2.853 20 0 FFADHO O=C(CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC000512286623 516225963 /nfs/dbraw/zinc/22/59/63/516225963.db2.gz POWLBXWDWUZKGX-JOCHJYFZSA-N 1 3 355.526 2.987 20 0 FFADHO O=C(CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC000512286623 516225970 /nfs/dbraw/zinc/22/59/70/516225970.db2.gz POWLBXWDWUZKGX-JOCHJYFZSA-N 1 3 355.526 2.987 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000457921912 516231099 /nfs/dbraw/zinc/23/10/99/516231099.db2.gz HALBRXIZSZJKKT-WSTZPKSXSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000457921912 516231110 /nfs/dbraw/zinc/23/11/10/516231110.db2.gz HALBRXIZSZJKKT-WSTZPKSXSA-N 1 3 358.530 2.853 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512314664 516235875 /nfs/dbraw/zinc/23/58/75/516235875.db2.gz OBFUWLJARDYNMO-SJLPKXTDSA-N 1 3 367.484 2.990 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457935613 516239405 /nfs/dbraw/zinc/23/94/05/516239405.db2.gz NTXCNEUFEPDPFY-SJORKVTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457935613 516239411 /nfs/dbraw/zinc/23/94/11/516239411.db2.gz NTXCNEUFEPDPFY-SJORKVTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000488495504 516240758 /nfs/dbraw/zinc/24/07/58/516240758.db2.gz PJBCGZQYGBMVJY-QFBILLFUSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457940906 516242462 /nfs/dbraw/zinc/24/24/62/516242462.db2.gz WNMRRFCPZQADCN-DBXWQHBBSA-N 1 3 364.578 2.870 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000465784768 516256644 /nfs/dbraw/zinc/25/66/44/516256644.db2.gz QCKQVPNLFCRDSW-UHFFFAOYSA-N 1 3 372.557 2.649 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N2CCCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512412493 516269291 /nfs/dbraw/zinc/26/92/91/516269291.db2.gz PSASWHKHXXOXDB-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N2CCCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412493 516269296 /nfs/dbraw/zinc/26/92/96/516269296.db2.gz PSASWHKHXXOXDB-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000501937336 516270193 /nfs/dbraw/zinc/27/01/93/516270193.db2.gz HOWFATIMGCEMHN-ICSRJNTNSA-N 1 3 356.514 2.601 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000501937336 516270199 /nfs/dbraw/zinc/27/01/99/516270199.db2.gz HOWFATIMGCEMHN-ICSRJNTNSA-N 1 3 356.514 2.601 20 0 FFADHO C[N@H+](CCC(=O)Nc1cccnc1)CC1CCN(c2ccncc2)CC1 ZINC000484074971 516291633 /nfs/dbraw/zinc/29/16/33/516291633.db2.gz QVDLMHYJWZBYCM-UHFFFAOYSA-N 1 3 353.470 2.654 20 0 FFADHO C[N@@H+](CCC(=O)Nc1cccnc1)CC1CCN(c2ccncc2)CC1 ZINC000484074971 516291638 /nfs/dbraw/zinc/29/16/38/516291638.db2.gz QVDLMHYJWZBYCM-UHFFFAOYSA-N 1 3 353.470 2.654 20 0 FFADHO CN(CCN1CCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000497581517 516327092 /nfs/dbraw/zinc/32/70/92/516327092.db2.gz CMTNNPNUMSWLGO-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522867443 516334595 /nfs/dbraw/zinc/33/45/95/516334595.db2.gz YBISUOFBQZPRMQ-WOJBJXKFSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522867443 516334610 /nfs/dbraw/zinc/33/46/10/516334610.db2.gz YBISUOFBQZPRMQ-WOJBJXKFSA-N 1 3 358.530 2.530 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522879393 516338431 /nfs/dbraw/zinc/33/84/31/516338431.db2.gz BAUNHZTZBLTKOT-AZUAARDMSA-N 1 3 360.546 2.920 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC000554284712 516362129 /nfs/dbraw/zinc/36/21/29/516362129.db2.gz ZOVLWGWPLMIZGH-RTWAWAEBSA-N 1 3 361.574 2.889 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC000554284712 516362138 /nfs/dbraw/zinc/36/21/38/516362138.db2.gz ZOVLWGWPLMIZGH-RTWAWAEBSA-N 1 3 361.574 2.889 20 0 FFADHO CN1CC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)[C@@H]1c1ccccc1 ZINC000557662455 516366956 /nfs/dbraw/zinc/36/69/56/516366956.db2.gz DHAIZOFQELJRIN-UFYCRDLUSA-N 1 3 373.566 2.766 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000523146292 516396668 /nfs/dbraw/zinc/39/66/68/516396668.db2.gz WALUJHFFZNZIDU-AZUAARDMSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000523146292 516396679 /nfs/dbraw/zinc/39/66/79/516396679.db2.gz WALUJHFFZNZIDU-AZUAARDMSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCCN(CCCc2ccccc2)CC1)C1CC1 ZINC000523208726 516409783 /nfs/dbraw/zinc/40/97/83/516409783.db2.gz JPCJMWCUVFYEJU-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCCN(CCCc2ccccc2)CC1)C1CC1 ZINC000523208726 516409793 /nfs/dbraw/zinc/40/97/93/516409793.db2.gz JPCJMWCUVFYEJU-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)CC1(O)CCC1 ZINC000528407637 516413912 /nfs/dbraw/zinc/41/39/12/516413912.db2.gz RQLYIKSEJQPVNY-ACRUOGEOSA-N 1 3 358.526 2.639 20 0 FFADHO O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)CC1(O)CCC1 ZINC000528407637 516413922 /nfs/dbraw/zinc/41/39/22/516413922.db2.gz RQLYIKSEJQPVNY-ACRUOGEOSA-N 1 3 358.526 2.639 20 0 FFADHO COc1ccc([C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)C2CC2)cc1 ZINC000540302196 516506025 /nfs/dbraw/zinc/50/60/25/516506025.db2.gz MMDPFJCTBSVAMJ-NRFANRHFSA-N 1 3 359.514 2.679 20 0 FFADHO CN(c1ccccc1C[NH2+]CCCN1CCCCC1=O)C1CCN(C)CC1 ZINC000531594377 516545537 /nfs/dbraw/zinc/54/55/37/516545537.db2.gz BEDICXAKSAMZNS-UHFFFAOYSA-N 1 3 372.557 2.709 20 0 FFADHO C[N@H+](CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1)Cc1ccccc1 ZINC000518083219 516546107 /nfs/dbraw/zinc/54/61/07/516546107.db2.gz RDTMXBAVCUHBFV-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1)Cc1ccccc1 ZINC000518083219 516546112 /nfs/dbraw/zinc/54/61/12/516546112.db2.gz RDTMXBAVCUHBFV-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000540479967 516575776 /nfs/dbraw/zinc/57/57/76/516575776.db2.gz COPPFIQRZRLKAW-KDURUIRLSA-N 1 3 373.541 2.693 20 0 FFADHO CC[NH+](CC)CCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000513381583 516596303 /nfs/dbraw/zinc/59/63/03/516596303.db2.gz BTGFPULGTBGUEK-UHFFFAOYSA-N 1 3 360.546 2.679 20 0 FFADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCOCC1 ZINC000531720398 516610803 /nfs/dbraw/zinc/61/08/03/516610803.db2.gz FRMDRNVBOYVLLO-NHCUHLMSSA-N 1 3 373.541 2.679 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000528709659 516634359 /nfs/dbraw/zinc/63/43/59/516634359.db2.gz FGAAHNROCBYDKJ-ICSRJNTNSA-N 1 3 366.465 2.736 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)N(C)C)cc1 ZINC000561539633 516641792 /nfs/dbraw/zinc/64/17/92/516641792.db2.gz JAHQGEBFFFQEDM-HOJAQTOUSA-N 1 3 358.530 2.866 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528718986 516643577 /nfs/dbraw/zinc/64/35/77/516643577.db2.gz HLYZUFKCELHFSY-VQIMIIECSA-N 1 3 370.497 2.649 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528718986 516643587 /nfs/dbraw/zinc/64/35/87/516643587.db2.gz HLYZUFKCELHFSY-VQIMIIECSA-N 1 3 370.497 2.649 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536136055 516645510 /nfs/dbraw/zinc/64/55/10/516645510.db2.gz KSXNTHXUBWQTOE-BWPNAZKDSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536136055 516645518 /nfs/dbraw/zinc/64/55/18/516645518.db2.gz KSXNTHXUBWQTOE-BWPNAZKDSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000524135331 516650821 /nfs/dbraw/zinc/65/08/21/516650821.db2.gz BKGRVRYOAYMUKR-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000524135331 516650826 /nfs/dbraw/zinc/65/08/26/516650826.db2.gz BKGRVRYOAYMUKR-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000513513205 516658308 /nfs/dbraw/zinc/65/83/08/516658308.db2.gz RYTOUZKMTWEDBA-FBMGVBCBSA-N 1 3 365.949 2.723 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000536212202 516677425 /nfs/dbraw/zinc/67/74/25/516677425.db2.gz ACIWMNXJTSKIET-UXHICEINSA-N 1 3 373.545 2.590 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000536212202 516677441 /nfs/dbraw/zinc/67/74/41/516677441.db2.gz ACIWMNXJTSKIET-UXHICEINSA-N 1 3 373.545 2.590 20 0 FFADHO CC[C@@H](OC1CCCCC1)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000531859328 516679609 /nfs/dbraw/zinc/67/96/09/516679609.db2.gz ORYRYIFAWCVIJW-LJQANCHMSA-N 1 3 360.502 2.900 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000518499085 516682769 /nfs/dbraw/zinc/68/27/69/516682769.db2.gz HEGVXUSDDGJXCR-VAMGGRTRSA-N 1 3 358.530 2.841 20 0 FFADHO COc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000540789996 516712742 /nfs/dbraw/zinc/71/27/42/516712742.db2.gz YUESOHSRPVJXLE-UWJYYQICSA-N 1 3 369.509 2.635 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518584788 516713490 /nfs/dbraw/zinc/71/34/90/516713490.db2.gz QYLRBBDABCOEOB-NRFANRHFSA-N 1 3 351.494 2.887 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518584788 516713495 /nfs/dbraw/zinc/71/34/95/516713495.db2.gz QYLRBBDABCOEOB-NRFANRHFSA-N 1 3 351.494 2.887 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000536308347 516713897 /nfs/dbraw/zinc/71/38/97/516713897.db2.gz HCLXMTMIZNIHCN-PWRODBHTSA-N 1 3 374.525 2.691 20 0 FFADHO CN1CCC([C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000558419003 516732245 /nfs/dbraw/zinc/73/22/45/516732245.db2.gz ZUSXIRAHFIBKNE-KRWDZBQOSA-N 1 3 368.481 2.969 20 0 FFADHO CN1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000558419003 516732253 /nfs/dbraw/zinc/73/22/53/516732253.db2.gz ZUSXIRAHFIBKNE-KRWDZBQOSA-N 1 3 368.481 2.969 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000524490271 516736823 /nfs/dbraw/zinc/73/68/23/516736823.db2.gz DOLGYUAXYPOSGJ-LJQANCHMSA-N 1 3 356.514 2.708 20 0 FFADHO C[C@@H](CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000518921333 516821215 /nfs/dbraw/zinc/82/12/15/516821215.db2.gz SLSKGKSHXGJGDS-ROUUACIJSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H](CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000518921333 516821227 /nfs/dbraw/zinc/82/12/27/516821227.db2.gz SLSKGKSHXGJGDS-ROUUACIJSA-N 1 3 357.542 2.929 20 0 FFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCN4CCOCC4)[C@@H]3C2)cc1 ZINC000514100199 516861678 /nfs/dbraw/zinc/86/16/78/516861678.db2.gz UBFAFNFGAZYFBA-ZRBLBEILSA-N 1 3 371.569 2.989 20 0 FFADHO C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000519303511 516954025 /nfs/dbraw/zinc/95/40/25/516954025.db2.gz QMJMNXCHVPTEHG-GGPKGHCWSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](Sc1ccccc1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551916603 516954340 /nfs/dbraw/zinc/95/43/40/516954340.db2.gz OYOVSZYCQKBUSL-AWEZNQCLSA-N 1 3 357.951 2.772 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000536866660 516956355 /nfs/dbraw/zinc/95/63/55/516956355.db2.gz AAOHDCFAGDFZLX-AABGKKOBSA-N 1 3 355.526 2.996 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000525399351 517030752 /nfs/dbraw/zinc/03/07/52/517030752.db2.gz KCRIMALRIVWGRZ-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000525399351 517030757 /nfs/dbraw/zinc/03/07/57/517030757.db2.gz KCRIMALRIVWGRZ-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)N1CCCCC1 ZINC000525609466 517088512 /nfs/dbraw/zinc/08/85/12/517088512.db2.gz LEZITXZQRNCPML-FQEVSTJZSA-N 1 3 357.542 2.712 20 0 FFADHO CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552118104 517090471 /nfs/dbraw/zinc/09/04/71/517090471.db2.gz WJXPZRUWXPVXDS-SFHVURJKSA-N 1 3 367.484 2.942 20 0 FFADHO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000529390232 517119969 /nfs/dbraw/zinc/11/99/69/517119969.db2.gz XWNUTWJZGSADNK-OZVIIMIRSA-N 1 3 373.328 2.988 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000514969688 517147932 /nfs/dbraw/zinc/14/79/32/517147932.db2.gz LNPRBHYDEFTTHB-FQEVSTJZSA-N 1 3 357.502 2.508 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)c2)CC1 ZINC000545331295 517180532 /nfs/dbraw/zinc/18/05/32/517180532.db2.gz CSINOYCUDQWORN-GOSISDBHSA-N 1 3 373.545 2.680 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[N@H+](C(C)C)C3)c2)CC1 ZINC000545331295 517180539 /nfs/dbraw/zinc/18/05/39/517180539.db2.gz CSINOYCUDQWORN-GOSISDBHSA-N 1 3 373.545 2.680 20 0 FFADHO c1ccc(CN2C[C@H](C[NH2+]CC3=CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559326600 517184362 /nfs/dbraw/zinc/18/43/62/517184362.db2.gz XOAZYKSZPSAFGV-NRFANRHFSA-N 1 3 356.510 2.852 20 0 FFADHO c1ccc(C[N@H+]2C[C@H](CNCC3=CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559326600 517184367 /nfs/dbraw/zinc/18/43/67/517184367.db2.gz XOAZYKSZPSAFGV-NRFANRHFSA-N 1 3 356.510 2.852 20 0 FFADHO c1ccc(C[N@@H+]2C[C@H](CNCC3=CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559326600 517184380 /nfs/dbraw/zinc/18/43/80/517184380.db2.gz XOAZYKSZPSAFGV-NRFANRHFSA-N 1 3 356.510 2.852 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cc2)CC1 ZINC000519828400 517207216 /nfs/dbraw/zinc/20/72/16/517207216.db2.gz YJMCNDUYGDJFGI-WGSAOQKQSA-N 1 3 372.557 2.712 20 0 FFADHO O=C(CCNCCC[NH+]1CCCCC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000552381275 517232736 /nfs/dbraw/zinc/23/27/36/517232736.db2.gz FAWYYDVXKKITCE-UHFFFAOYSA-N 1 3 372.513 2.608 20 0 FFADHO O=C(CC[NH2+]CCCN1CCCCC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000552381275 517232746 /nfs/dbraw/zinc/23/27/46/517232746.db2.gz FAWYYDVXKKITCE-UHFFFAOYSA-N 1 3 372.513 2.608 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000556045181 517242588 /nfs/dbraw/zinc/24/25/88/517242588.db2.gz BZYCDMNXIMOUCE-FKBYEOEOSA-N 1 3 369.553 2.742 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000556045181 517242597 /nfs/dbraw/zinc/24/25/97/517242597.db2.gz BZYCDMNXIMOUCE-FKBYEOEOSA-N 1 3 369.553 2.742 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000556045181 517242608 /nfs/dbraw/zinc/24/26/08/517242608.db2.gz BZYCDMNXIMOUCE-FKBYEOEOSA-N 1 3 369.553 2.742 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000548903260 517289625 /nfs/dbraw/zinc/28/96/25/517289625.db2.gz XRWDLLZFIDDRLP-FDFHNCONSA-N 1 3 363.505 2.723 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000548903260 517289633 /nfs/dbraw/zinc/28/96/33/517289633.db2.gz XRWDLLZFIDDRLP-FDFHNCONSA-N 1 3 363.505 2.723 20 0 FFADHO CC(C)[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCCC1 ZINC000552662936 517337898 /nfs/dbraw/zinc/33/78/98/517337898.db2.gz YZNXIULXOYNOLL-OAQYLSRUSA-N 1 3 372.557 2.854 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000526110710 517348270 /nfs/dbraw/zinc/34/82/70/517348270.db2.gz PZDAUOOIIRDZOT-PMACEKPBSA-N 1 3 360.546 2.533 20 0 FFADHO CCN(CC)c1ncc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000562751822 517368673 /nfs/dbraw/zinc/36/86/73/517368673.db2.gz FTXCTFTVDRVCGL-NVXWUHKLSA-N 1 3 352.548 2.708 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000542135983 517401275 /nfs/dbraw/zinc/40/12/75/517401275.db2.gz OVGDRQXOARASPV-HNNXBMFYSA-N 1 3 370.497 2.604 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccccc3CN3CCCCC3)C[C@H]21 ZINC000562795337 517407962 /nfs/dbraw/zinc/40/79/62/517407962.db2.gz DOJMMEZVHWGDRL-NJDAHSKKSA-N 1 3 370.541 2.941 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000562809089 517424243 /nfs/dbraw/zinc/42/42/43/517424243.db2.gz XIWBMMNDDVYJPZ-HKBOAZHASA-N 1 3 366.509 2.993 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc(CN(C)C)cc3)c2cc1C ZINC000549190422 517445766 /nfs/dbraw/zinc/44/57/66/517445766.db2.gz HQPDQFIZMHNBSF-HXUWFJFHSA-N 1 3 366.509 2.865 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000515841321 517492043 /nfs/dbraw/zinc/49/20/43/517492043.db2.gz QHPSZAKZJQGMQN-PXNSSMCTSA-N 1 3 360.546 2.883 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)CCCC2)CC1 ZINC000520770764 517508354 /nfs/dbraw/zinc/50/83/54/517508354.db2.gz QJBDEAPESCZKHA-BZSNNMDCSA-N 1 3 365.562 2.788 20 0 FFADHO Cc1nc2ccc(Br)cc2c(N2CCC(O)(C[NH3+])CC2)c1C ZINC000520775758 517510731 /nfs/dbraw/zinc/51/07/31/517510731.db2.gz LTRHQDOYPCLOTH-UHFFFAOYSA-N 1 3 364.287 2.904 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000520784286 517511493 /nfs/dbraw/zinc/51/14/93/517511493.db2.gz CLTNZGSHKDZOMP-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553145139 517543208 /nfs/dbraw/zinc/54/32/08/517543208.db2.gz BMNWGWOBMIGOBB-PMACEKPBSA-N 1 3 373.566 2.595 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(Br)o1 ZINC000520892957 517544133 /nfs/dbraw/zinc/54/41/33/517544133.db2.gz LEVFNJGBHZUQKE-CQSZACIVSA-N 1 3 358.324 2.890 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(Br)o1 ZINC000520892957 517544141 /nfs/dbraw/zinc/54/41/41/517544141.db2.gz LEVFNJGBHZUQKE-CQSZACIVSA-N 1 3 358.324 2.890 20 0 FFADHO O=C(CC[NH2+]C1CCN(C[C@H]2CCOC2)CC1)Nc1cccc(Cl)c1 ZINC000562993891 517566516 /nfs/dbraw/zinc/56/65/16/517566516.db2.gz QZNZDWKGHBTVBR-OAHLLOKOSA-N 1 3 365.905 2.759 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC3CC[NH+](C4CCC4)CC3)c2cc1C ZINC000562998181 517570809 /nfs/dbraw/zinc/57/08/09/517570809.db2.gz BNABEWUIMNDACO-IBGZPJMESA-N 1 3 356.514 2.621 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3F)CC2)CC1 ZINC000553199818 517571774 /nfs/dbraw/zinc/57/17/74/517571774.db2.gz SPUFONLQKWDUOI-UHFFFAOYSA-N 1 3 361.505 2.681 20 0 FFADHO CC[C@H](CC(F)(F)F)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000546175968 517583200 /nfs/dbraw/zinc/58/32/00/517583200.db2.gz BEUFPYWBIVNNLP-CYBMUJFWSA-N 1 3 364.456 2.575 20 0 FFADHO c1ncn(-c2cccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)n1 ZINC000521025751 517583769 /nfs/dbraw/zinc/58/37/69/517583769.db2.gz LGQFHFVYFINQGV-TZIWHRDSSA-N 1 3 361.449 2.613 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)([NH+](C)C)C1 ZINC000533810512 517622990 /nfs/dbraw/zinc/62/29/90/517622990.db2.gz NXCUVNJVXONMRL-KAGYGMCKSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)([NH+](C)C)C1 ZINC000533810511 517623023 /nfs/dbraw/zinc/62/30/23/517623023.db2.gz NXCUVNJVXONMRL-CBQOVEMMSA-N 1 3 374.573 2.969 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530222101 517638368 /nfs/dbraw/zinc/63/83/68/517638368.db2.gz QGPMNTWTANXFAC-FRQCXROJSA-N 1 3 367.493 2.858 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)s2)cn1 ZINC000530248546 517653469 /nfs/dbraw/zinc/65/34/69/517653469.db2.gz MAKBUMOBGHCLEU-QGZVFWFLSA-N 1 3 360.527 2.739 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533986169 517696156 /nfs/dbraw/zinc/69/61/56/517696156.db2.gz LUXIQHZXGURSIO-UFYCRDLUSA-N 1 3 358.530 2.851 20 0 FFADHO CN1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H]1c1ccccc1 ZINC000542770096 517728800 /nfs/dbraw/zinc/72/88/00/517728800.db2.gz MYLHOAHQRVODNH-OALUTQOASA-N 1 3 358.530 2.853 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CCCCCN2)ccc1OC ZINC000563198049 517728891 /nfs/dbraw/zinc/72/88/91/517728891.db2.gz AEDRPMXQULCKEF-QGZVFWFLSA-N 1 3 363.502 2.887 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1C1CC1 ZINC000521474405 517746836 /nfs/dbraw/zinc/74/68/36/517746836.db2.gz XNLBXOJXOKFSIP-AYRXBEOTSA-N 1 3 361.452 2.637 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1C1CC1 ZINC000521474405 517746845 /nfs/dbraw/zinc/74/68/45/517746845.db2.gz XNLBXOJXOKFSIP-AYRXBEOTSA-N 1 3 361.452 2.637 20 0 FFADHO C[C@H]1CC[C@]2(CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)C1 ZINC000542851934 517779637 /nfs/dbraw/zinc/77/96/37/517779637.db2.gz MTJINPIYHCFOFT-UWJYYQICSA-N 1 3 362.562 2.767 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000527704314 517859051 /nfs/dbraw/zinc/85/90/51/517859051.db2.gz DFTAWTBKHWPCBU-FQEVSTJZSA-N 1 3 362.562 2.957 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000563588188 518002913 /nfs/dbraw/zinc/00/29/13/518002913.db2.gz NDZZSQDPEPBFMN-LCLWPZTBSA-N 1 3 358.530 2.727 20 0 FFADHO CC[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000553987497 518009302 /nfs/dbraw/zinc/00/93/02/518009302.db2.gz PWNJXNMWTCVGIA-NRFANRHFSA-N 1 3 372.557 2.951 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000517091832 518021109 /nfs/dbraw/zinc/02/11/09/518021109.db2.gz XHLOQGYMRXRYIV-ROUUACIJSA-N 1 3 373.545 2.776 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000530880662 518029082 /nfs/dbraw/zinc/02/90/82/518029082.db2.gz LMUXEFZSMYRNCR-UHFFFAOYSA-N 1 3 364.877 2.560 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000522286964 518064313 /nfs/dbraw/zinc/06/43/13/518064313.db2.gz XTCZBGNXQNKUTR-QGZVFWFLSA-N 1 3 372.513 2.665 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000522286964 518064325 /nfs/dbraw/zinc/06/43/25/518064325.db2.gz XTCZBGNXQNKUTR-QGZVFWFLSA-N 1 3 372.513 2.665 20 0 FFADHO Cc1cccc(OC[C@H](O)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000563700345 518078758 /nfs/dbraw/zinc/07/87/58/518078758.db2.gz IHYWMCITHJYHHT-PIPMEXSNSA-N 1 3 368.477 2.580 20 0 FFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C1CC1 ZINC000522444765 518110322 /nfs/dbraw/zinc/11/03/22/518110322.db2.gz HVJKOIQTCQBRIZ-UHFFFAOYSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C1CC1 ZINC000522444765 518110327 /nfs/dbraw/zinc/11/03/27/518110327.db2.gz HVJKOIQTCQBRIZ-UHFFFAOYSA-N 1 3 368.472 2.522 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528290632 518166835 /nfs/dbraw/zinc/16/68/35/518166835.db2.gz YKVOBHPMRVLULQ-UXPWSPDFSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528290632 518166838 /nfs/dbraw/zinc/16/68/38/518166838.db2.gz YKVOBHPMRVLULQ-UXPWSPDFSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000563882622 518213255 /nfs/dbraw/zinc/21/32/55/518213255.db2.gz CGVRKRGFLBWVBS-XUVXKRRUSA-N 1 3 373.566 2.595 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000563882622 518213256 /nfs/dbraw/zinc/21/32/56/518213256.db2.gz CGVRKRGFLBWVBS-XUVXKRRUSA-N 1 3 373.566 2.595 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)c1ccccc1 ZINC000563892779 518217441 /nfs/dbraw/zinc/21/74/41/518217441.db2.gz UFJBWBYWIPSPMT-IBGZPJMESA-N 1 3 363.505 2.974 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000581318803 518228562 /nfs/dbraw/zinc/22/85/62/518228562.db2.gz IKFNJNFLUKMBAL-MRXNPFEDSA-N 1 3 357.489 2.877 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@@H](C)C1 ZINC000584233995 518241056 /nfs/dbraw/zinc/24/10/56/518241056.db2.gz NQNAOAMKAMRZGR-SLFFLAALSA-N 1 3 367.578 2.750 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@@H](C)C1 ZINC000584233995 518241061 /nfs/dbraw/zinc/24/10/61/518241061.db2.gz NQNAOAMKAMRZGR-SLFFLAALSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000575732741 518254802 /nfs/dbraw/zinc/25/48/02/518254802.db2.gz AWTCSYGRPDPVIW-CWJKEVGVSA-N 1 3 370.541 2.511 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000572586324 518262571 /nfs/dbraw/zinc/26/25/71/518262571.db2.gz KBKJUUYKMQXRFG-DFQSSKMNSA-N 1 3 372.557 2.974 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000581418467 518276058 /nfs/dbraw/zinc/27/60/58/518276058.db2.gz MNLWTNFVDJVBDB-PCCBWWKXSA-N 1 3 370.541 2.728 20 0 FFADHO O=C([C@@H]1CNCc2ccccc21)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000578646814 518309726 /nfs/dbraw/zinc/30/97/26/518309726.db2.gz NBFSQHFRHQBRET-WIYYLYMNSA-N 1 3 355.526 2.988 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H](C(C)C)N(C)C)C2)s1 ZINC000567116168 518360168 /nfs/dbraw/zinc/36/01/68/518360168.db2.gz RZUQOSYTGFZABK-WMZOPIPTSA-N 1 3 351.560 2.923 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H](C(C)C)N(C)C)C2)s1 ZINC000567116168 518360175 /nfs/dbraw/zinc/36/01/75/518360175.db2.gz RZUQOSYTGFZABK-WMZOPIPTSA-N 1 3 351.560 2.923 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000569966928 518379668 /nfs/dbraw/zinc/37/96/68/518379668.db2.gz KVLOVOAJHYDETD-FQEVSTJZSA-N 1 3 352.482 2.561 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nccn1-c1ccccc1 ZINC000564319307 518397920 /nfs/dbraw/zinc/39/79/20/518397920.db2.gz HAZGZHLRKRHOGD-FQEVSTJZSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nccn1-c1ccccc1 ZINC000564319307 518397927 /nfs/dbraw/zinc/39/79/27/518397927.db2.gz HAZGZHLRKRHOGD-FQEVSTJZSA-N 1 3 355.530 2.720 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3[NH2+]CCCC3(C)C)c2)CC1 ZINC000570026760 518405729 /nfs/dbraw/zinc/40/57/29/518405729.db2.gz AOAGVXVDZBRYAH-LJQANCHMSA-N 1 3 373.545 2.728 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000567312364 518458005 /nfs/dbraw/zinc/45/80/05/518458005.db2.gz OWDNRYSKFXASDI-HZPDHXFCSA-N 1 3 361.486 2.510 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000567312364 518458013 /nfs/dbraw/zinc/45/80/13/518458013.db2.gz OWDNRYSKFXASDI-HZPDHXFCSA-N 1 3 361.486 2.510 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c1 ZINC000567312364 518458019 /nfs/dbraw/zinc/45/80/19/518458019.db2.gz OWDNRYSKFXASDI-HZPDHXFCSA-N 1 3 361.486 2.510 20 0 FFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCC[C@@H](N2CCOCC2)C1 ZINC000581832928 518460099 /nfs/dbraw/zinc/46/00/99/518460099.db2.gz XHKVACWXRRSGKQ-JOCHJYFZSA-N 1 3 357.542 2.969 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)C1 ZINC000576209789 518481951 /nfs/dbraw/zinc/48/19/51/518481951.db2.gz SHCJLNXAUMAXPF-WOJBJXKFSA-N 1 3 352.482 2.862 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000564609805 518525224 /nfs/dbraw/zinc/52/52/24/518525224.db2.gz CJVNILCOIVBLKZ-QGZVFWFLSA-N 1 3 361.534 2.718 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000564609805 518525231 /nfs/dbraw/zinc/52/52/31/518525231.db2.gz CJVNILCOIVBLKZ-QGZVFWFLSA-N 1 3 361.534 2.718 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000573148201 518528058 /nfs/dbraw/zinc/52/80/58/518528058.db2.gz AKFZSEAPXMYEPL-IPMKNSEASA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[N@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000573148201 518528069 /nfs/dbraw/zinc/52/80/69/518528069.db2.gz AKFZSEAPXMYEPL-IPMKNSEASA-N 1 3 365.562 2.599 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000567469472 518540229 /nfs/dbraw/zinc/54/02/29/518540229.db2.gz DYMNZESULJPCAY-UNMCSNQZSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000567469472 518540234 /nfs/dbraw/zinc/54/02/34/518540234.db2.gz DYMNZESULJPCAY-UNMCSNQZSA-N 1 3 363.505 2.902 20 0 FFADHO NC[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000573190237 518547798 /nfs/dbraw/zinc/54/77/98/518547798.db2.gz IKXKABDHVRWZKN-QFIPXVFZSA-N 1 3 359.473 2.958 20 0 FFADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccn1 ZINC000576411923 518581357 /nfs/dbraw/zinc/58/13/57/518581357.db2.gz JZQKZUPHXGVDMV-OXJNMPFZSA-N 1 3 355.482 2.898 20 0 FFADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccn1 ZINC000576411923 518581363 /nfs/dbraw/zinc/58/13/63/518581363.db2.gz JZQKZUPHXGVDMV-OXJNMPFZSA-N 1 3 355.482 2.898 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3CSC)CC2)CC1 ZINC000570408413 518592410 /nfs/dbraw/zinc/59/24/10/518592410.db2.gz BGRCGAPSKJMWSY-SFHVURJKSA-N 1 3 353.576 2.537 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000570425040 518601961 /nfs/dbraw/zinc/60/19/61/518601961.db2.gz MFGMALRVSRTJTK-KRWDZBQOSA-N 1 3 364.559 2.820 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCc3ccccc3[C@H]2CN)c1 ZINC000570512986 518644486 /nfs/dbraw/zinc/64/44/86/518644486.db2.gz VVGMMWMTJXBKRY-OAQYLSRUSA-N 1 3 366.509 2.906 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCc3ccccc3[C@H]2CN)c1 ZINC000570512986 518644489 /nfs/dbraw/zinc/64/44/89/518644489.db2.gz VVGMMWMTJXBKRY-OAQYLSRUSA-N 1 3 366.509 2.906 20 0 FFADHO CC(C)OCc1cccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000570570889 518673370 /nfs/dbraw/zinc/67/33/70/518673370.db2.gz JNKPPGXIYFCQEG-RTWAWAEBSA-N 1 3 373.541 2.549 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)CC1 ZINC000576645921 518692662 /nfs/dbraw/zinc/69/26/62/518692662.db2.gz TUDJQICEVVENOF-UHFFFAOYSA-N 1 3 361.505 2.947 20 0 FFADHO C[N@H+](CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)C1CCCCC1 ZINC000570656979 518715728 /nfs/dbraw/zinc/71/57/28/518715728.db2.gz XJSCHUBQPVKBQU-HXUWFJFHSA-N 1 3 359.514 2.846 20 0 FFADHO C[N@@H+](CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)C1CCCCC1 ZINC000570656979 518715734 /nfs/dbraw/zinc/71/57/34/518715734.db2.gz XJSCHUBQPVKBQU-HXUWFJFHSA-N 1 3 359.514 2.846 20 0 FFADHO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000573551763 518720621 /nfs/dbraw/zinc/72/06/21/518720621.db2.gz KURLYNHFTJUVFC-RTBURBONSA-N 1 3 374.573 2.558 20 0 FFADHO Cc1cc(NC(=O)C2(C[NH3+])CCCC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000567824270 518731554 /nfs/dbraw/zinc/73/15/54/518731554.db2.gz ISGCPVGLUDCPQO-UHFFFAOYSA-N 1 3 358.530 2.983 20 0 FFADHO O=C(CC[NH2+]CC1CCN(Cc2cccs2)CC1)Nc1cccnc1 ZINC000570920235 518842747 /nfs/dbraw/zinc/84/27/47/518842747.db2.gz DXSDNJRNVSYKCG-UHFFFAOYSA-N 1 3 358.511 2.974 20 0 FFADHO COC(=O)c1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cn1C ZINC000582633970 518848114 /nfs/dbraw/zinc/84/81/14/518848114.db2.gz YYRHNTSFNDWMJF-UHFFFAOYSA-N 1 3 371.481 2.576 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000573942326 518913162 /nfs/dbraw/zinc/91/31/62/518913162.db2.gz WDTUQSWBHVDMLI-ICSRJNTNSA-N 1 3 372.557 2.976 20 0 FFADHO Cc1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)n(C2CCN(C)CC2)n1 ZINC000573970423 518926106 /nfs/dbraw/zinc/92/61/06/518926106.db2.gz DQJKSUPCTYWSMK-GOSISDBHSA-N 1 3 355.486 2.877 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3COCc4ccccc43)CC2)CC1 ZINC000568228259 518939303 /nfs/dbraw/zinc/93/93/03/518939303.db2.gz UDVODTIKQXUWHS-NRFANRHFSA-N 1 3 371.525 2.570 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3(C)CC[NH2+]CC3)c(C)c2)CC1 ZINC000577204833 518964319 /nfs/dbraw/zinc/96/43/19/518964319.db2.gz NHVNBEXSVZAKJX-UHFFFAOYSA-N 1 3 373.545 2.648 20 0 FFADHO Cc1c2cccc(Cl)c2[nH]c1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000582891459 518971174 /nfs/dbraw/zinc/97/11/74/518971174.db2.gz HTEVPTZXZOJAAW-UHFFFAOYSA-N 1 3 350.894 2.695 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000580090218 519003401 /nfs/dbraw/zinc/00/34/01/519003401.db2.gz OVHJUWLURLFBIR-NHCUHLMSSA-N 1 3 355.526 2.855 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)CC(F)(F)F)CC2)CC1 ZINC000580094777 519005615 /nfs/dbraw/zinc/00/56/15/519005615.db2.gz VOKVIGOJWOROEK-CQSZACIVSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000582959777 519009267 /nfs/dbraw/zinc/00/92/67/519009267.db2.gz NEPOPHFPXDCWAB-OCCSQVGLSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000582959777 519009272 /nfs/dbraw/zinc/00/92/72/519009272.db2.gz NEPOPHFPXDCWAB-OCCSQVGLSA-N 1 3 354.292 2.850 20 0 FFADHO CN(CCN1CCN(c2ccccc2)CC1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582970785 519013126 /nfs/dbraw/zinc/01/31/26/519013126.db2.gz SIRBBUCPMZYNDO-UHFFFAOYSA-N 1 3 364.537 2.586 20 0 FFADHO CC(C)c1nc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c2ccccn21 ZINC000583029646 519044108 /nfs/dbraw/zinc/04/41/08/519044108.db2.gz YYEGZXHHXAELDH-UHFFFAOYSA-N 1 3 357.546 2.916 20 0 FFADHO CC(C)c1nc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c2ccccn21 ZINC000583029646 519044112 /nfs/dbraw/zinc/04/41/12/519044112.db2.gz YYEGZXHHXAELDH-UHFFFAOYSA-N 1 3 357.546 2.916 20 0 FFADHO CC(C)c1nc(CN(C)CCN(C)C2CC[NH+](C)CC2)c2ccccn21 ZINC000583029646 519044121 /nfs/dbraw/zinc/04/41/21/519044121.db2.gz YYEGZXHHXAELDH-UHFFFAOYSA-N 1 3 357.546 2.916 20 0 FFADHO CS(=O)(=O)Nc1cccc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000589638098 519050647 /nfs/dbraw/zinc/05/06/47/519050647.db2.gz KEGKJKVGLXRBNP-UHFFFAOYSA-N 1 3 373.522 2.944 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000580385885 519146404 /nfs/dbraw/zinc/14/64/04/519146404.db2.gz KAFCCJBZTGWWNX-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000580385885 519146409 /nfs/dbraw/zinc/14/64/09/519146409.db2.gz KAFCCJBZTGWWNX-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CCOC(=O)COCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000568684670 519163650 /nfs/dbraw/zinc/16/36/50/519163650.db2.gz SCUZHPAPQVYONE-UHFFFAOYSA-N 1 3 360.498 2.554 20 0 FFADHO CCOC(=O)COCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000568684670 519163653 /nfs/dbraw/zinc/16/36/53/519163653.db2.gz SCUZHPAPQVYONE-UHFFFAOYSA-N 1 3 360.498 2.554 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000574463721 519166990 /nfs/dbraw/zinc/16/69/90/519166990.db2.gz SMNIFZZHKMPGJC-KNQAVFIVSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000574463721 519166996 /nfs/dbraw/zinc/16/69/96/519166996.db2.gz SMNIFZZHKMPGJC-KNQAVFIVSA-N 1 3 355.526 2.843 20 0 FFADHO [NH3+]CCc1ccccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000574527734 519200690 /nfs/dbraw/zinc/20/06/90/519200690.db2.gz PVAWTICNEOJNRV-MRXNPFEDSA-N 1 3 357.523 2.891 20 0 FFADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Cc1ccc2ccccc2c1 ZINC000577722076 519222760 /nfs/dbraw/zinc/22/27/60/519222760.db2.gz FXWXTMKJJBTGIO-RJGXRXQPSA-N 1 3 368.521 2.711 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000571725130 519240059 /nfs/dbraw/zinc/24/00/59/519240059.db2.gz IELFBZZJNWCLRB-GOSISDBHSA-N 1 3 353.514 2.589 20 0 FFADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc(F)cc1 ZINC000574665042 519268195 /nfs/dbraw/zinc/26/81/95/519268195.db2.gz VILYAFKPAFRFCG-SFHVURJKSA-N 1 3 372.444 2.732 20 0 FFADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577827965 519274497 /nfs/dbraw/zinc/27/44/97/519274497.db2.gz DFZINKBPPDOUSJ-DLBZAZTESA-N 1 3 365.543 2.609 20 0 FFADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577827965 519274502 /nfs/dbraw/zinc/27/45/02/519274502.db2.gz DFZINKBPPDOUSJ-DLBZAZTESA-N 1 3 365.543 2.609 20 0 FFADHO Cc1ncc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1-c1ccccc1 ZINC000577838983 519281086 /nfs/dbraw/zinc/28/10/86/519281086.db2.gz GPRSZAZAJCYERY-NQIIRXRSSA-N 1 3 354.498 2.899 20 0 FFADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577851204 519290006 /nfs/dbraw/zinc/29/00/06/519290006.db2.gz CXWZQOBFJUGLFV-GGPKGHCWSA-N 1 3 373.541 2.974 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000571867210 519317219 /nfs/dbraw/zinc/31/72/19/519317219.db2.gz IBQVBBFYBNLRAK-DZFIZOCASA-N 1 3 350.503 2.689 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])N2CCCC2)c1 ZINC000566151388 519336593 /nfs/dbraw/zinc/33/65/93/519336593.db2.gz CJRDZGUHGNWJJX-VDGAXYAQSA-N 1 3 359.514 2.856 20 0 FFADHO COCCC[NH+]1CCC(NC[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000571908722 519341751 /nfs/dbraw/zinc/34/17/51/519341751.db2.gz ABACGFWNFWFOTP-JOCHJYFZSA-N 1 3 356.510 2.834 20 0 FFADHO CCOC[C@H]1CCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000583640277 519355568 /nfs/dbraw/zinc/35/55/68/519355568.db2.gz GJYFWVBGUKGZSA-HXUWFJFHSA-N 1 3 365.562 2.600 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000569137513 519396918 /nfs/dbraw/zinc/39/69/18/519396918.db2.gz LGYCGQXMELIVFB-UHFFFAOYSA-N 1 3 369.509 2.661 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccccc1F ZINC000572030527 519408458 /nfs/dbraw/zinc/40/84/58/519408458.db2.gz XZXJRXQFIQXAEK-PMACEKPBSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccccc1F ZINC000572030527 519408464 /nfs/dbraw/zinc/40/84/64/519408464.db2.gz XZXJRXQFIQXAEK-PMACEKPBSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)COc1ccccc1F ZINC000572030527 519408471 /nfs/dbraw/zinc/40/84/71/519408471.db2.gz XZXJRXQFIQXAEK-PMACEKPBSA-N 1 3 372.484 2.720 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000580962404 519452361 /nfs/dbraw/zinc/45/23/61/519452361.db2.gz FHJMICIUSBOUOO-UHFFFAOYSA-N 1 3 350.466 2.749 20 0 FFADHO COCCN(C)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000566369783 519456996 /nfs/dbraw/zinc/45/69/96/519456996.db2.gz WNQYEWZXKXPGRZ-BHDDXSALSA-N 1 3 359.558 2.845 20 0 FFADHO COCCN(C)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000566369783 519457005 /nfs/dbraw/zinc/45/70/05/519457005.db2.gz WNQYEWZXKXPGRZ-BHDDXSALSA-N 1 3 359.558 2.845 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN(C2CCC2)C1 ZINC000572133611 519462192 /nfs/dbraw/zinc/46/21/92/519462192.db2.gz HHHVSBPZBPWDMC-LPHOPBHVSA-N 1 3 365.587 2.537 20 0 FFADHO CC(C)[NH+](CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C(C)C ZINC000583890603 519485708 /nfs/dbraw/zinc/48/57/08/519485708.db2.gz ZTZITFNEZZBPJA-GOSISDBHSA-N 1 3 352.498 2.846 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC[C@H](O)Cn3cccn3)cc2)C1 ZINC000581059182 519502009 /nfs/dbraw/zinc/50/20/09/519502009.db2.gz PCYKJEAIFWBPEU-OPYAIIAOSA-N 1 3 356.514 2.512 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000583942618 519510968 /nfs/dbraw/zinc/51/09/68/519510968.db2.gz JSIBQZPAMBJULK-RBUKOAKNSA-N 1 3 364.530 2.804 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000583942618 519510976 /nfs/dbraw/zinc/51/09/76/519510976.db2.gz JSIBQZPAMBJULK-RBUKOAKNSA-N 1 3 364.530 2.804 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn(CCN(C)C)n3)cc2)C1 ZINC000575326951 519590175 /nfs/dbraw/zinc/59/01/75/519590175.db2.gz KWXFMUXOVGGSRO-QGZVFWFLSA-N 1 3 369.513 2.929 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccn(CCN(C)C)n3)cc2)C1 ZINC000575326951 519590183 /nfs/dbraw/zinc/59/01/83/519590183.db2.gz KWXFMUXOVGGSRO-QGZVFWFLSA-N 1 3 369.513 2.929 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000608698838 520087419 /nfs/dbraw/zinc/08/74/19/520087419.db2.gz XERVJVGXBRBOAX-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000608698838 520087421 /nfs/dbraw/zinc/08/74/21/520087421.db2.gz XERVJVGXBRBOAX-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000594950015 520225804 /nfs/dbraw/zinc/22/58/04/520225804.db2.gz WFAOSNPRPAVTMZ-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000594950015 520225815 /nfs/dbraw/zinc/22/58/15/520225815.db2.gz WFAOSNPRPAVTMZ-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973367 520250038 /nfs/dbraw/zinc/25/00/38/520250038.db2.gz ZQTVYUDPTBZIHL-VQIMIIECSA-N 1 3 356.514 2.653 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978756 520253637 /nfs/dbraw/zinc/25/36/37/520253637.db2.gz BIAUCWRNCWQUAM-RBUKOAKNSA-N 1 3 358.530 2.584 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000595066912 520277296 /nfs/dbraw/zinc/27/72/96/520277296.db2.gz GNFCTFYMBZNOSL-LOFUIXATSA-N 1 3 352.544 2.967 20 0 FFADHO CSCc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1F ZINC000597943345 520342311 /nfs/dbraw/zinc/34/23/11/520342311.db2.gz YULRDIVHIKLDGB-AWEZNQCLSA-N 1 3 355.523 2.691 20 0 FFADHO CSCc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1F ZINC000597943345 520342316 /nfs/dbraw/zinc/34/23/16/520342316.db2.gz YULRDIVHIKLDGB-AWEZNQCLSA-N 1 3 355.523 2.691 20 0 FFADHO CC(C)CN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000603897222 520396561 /nfs/dbraw/zinc/39/65/61/520396561.db2.gz HLQZBGPYJABMHS-FQEVSTJZSA-N 1 3 372.557 2.872 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000604107134 520451566 /nfs/dbraw/zinc/45/15/66/520451566.db2.gz LRHBKFQIUQKCOJ-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604174243 520468621 /nfs/dbraw/zinc/46/86/21/520468621.db2.gz KKNYZLRLNBNNRA-NQIIRXRSSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604174243 520468630 /nfs/dbraw/zinc/46/86/30/520468630.db2.gz KKNYZLRLNBNNRA-NQIIRXRSSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc2ccccc2nc1C1CC1 ZINC000617503242 520539128 /nfs/dbraw/zinc/53/91/28/520539128.db2.gz AQKFRERHJUGVLF-HNNXBMFYSA-N 1 3 369.513 2.509 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc2ccccc2nc1C1CC1 ZINC000617503242 520539135 /nfs/dbraw/zinc/53/91/35/520539135.db2.gz AQKFRERHJUGVLF-HNNXBMFYSA-N 1 3 369.513 2.509 20 0 FFADHO Cc1ccc(-c2nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs2)o1 ZINC000617504743 520540621 /nfs/dbraw/zinc/54/06/21/520540621.db2.gz IGCIDGQKCDZSHM-ZDUSSCGKSA-N 1 3 364.515 2.713 20 0 FFADHO Cc1ccc(-c2nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs2)o1 ZINC000617504743 520540625 /nfs/dbraw/zinc/54/06/25/520540625.db2.gz IGCIDGQKCDZSHM-ZDUSSCGKSA-N 1 3 364.515 2.713 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000617504963 520542910 /nfs/dbraw/zinc/54/29/10/520542910.db2.gz RFHGKVZJEYOXLC-HNNXBMFYSA-N 1 3 363.550 2.517 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000617504963 520542919 /nfs/dbraw/zinc/54/29/19/520542919.db2.gz RFHGKVZJEYOXLC-HNNXBMFYSA-N 1 3 363.550 2.517 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c2ncccc12 ZINC000617507848 520545587 /nfs/dbraw/zinc/54/55/87/520545587.db2.gz LISGFYOMHPVFMD-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c2ncccc12 ZINC000617507848 520545592 /nfs/dbraw/zinc/54/55/92/520545592.db2.gz LISGFYOMHPVFMD-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+](C)C ZINC000617759296 520705475 /nfs/dbraw/zinc/70/54/75/520705475.db2.gz CVTHACLQRPKTGR-DOTOQJQBSA-N 1 3 353.457 2.600 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2F)c1 ZINC000593318378 520906196 /nfs/dbraw/zinc/90/61/96/520906196.db2.gz OJKFMOBPOFMWBF-ZDUSSCGKSA-N 1 3 373.428 2.578 20 0 FFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)CC1 ZINC000605887091 520962964 /nfs/dbraw/zinc/96/29/64/520962964.db2.gz ZLBXLAYJCVPBNL-FDYSRKEFSA-N 1 3 362.562 2.909 20 0 FFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC000605887091 520962974 /nfs/dbraw/zinc/96/29/74/520962974.db2.gz ZLBXLAYJCVPBNL-FDYSRKEFSA-N 1 3 362.562 2.909 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCCN(C)C1 ZINC000618561426 521124183 /nfs/dbraw/zinc/12/41/83/521124183.db2.gz ZUZWBHGSPZVWGT-INIZCTEOSA-N 1 3 352.548 2.696 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000606700282 521141078 /nfs/dbraw/zinc/14/10/78/521141078.db2.gz HDZVOIBQYKSXHC-MRXNPFEDSA-N 1 3 364.509 2.629 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000599319163 521148782 /nfs/dbraw/zinc/14/87/82/521148782.db2.gz KTKGOLPYDLVQIP-IOBOIYPZSA-N 1 3 366.546 2.666 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000599319163 521148791 /nfs/dbraw/zinc/14/87/91/521148791.db2.gz KTKGOLPYDLVQIP-IOBOIYPZSA-N 1 3 366.546 2.666 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCC3)cc2)CC1 ZINC000607050030 521245507 /nfs/dbraw/zinc/24/55/07/521245507.db2.gz MDKTUDWBSRWOMR-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000593876421 521266924 /nfs/dbraw/zinc/26/69/24/521266924.db2.gz XNQHDHSDNXFJQG-WSTZPKSXSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000593876421 521266926 /nfs/dbraw/zinc/26/69/26/521266926.db2.gz XNQHDHSDNXFJQG-WSTZPKSXSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC[NH+]1CCCC1 ZINC000607227538 521299312 /nfs/dbraw/zinc/29/93/12/521299312.db2.gz KHAWWUIJFUIJIX-LJQANCHMSA-N 1 3 358.530 2.778 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000602546408 521405994 /nfs/dbraw/zinc/40/59/94/521405994.db2.gz RTHGSSCTWBZELG-PBHICJAKSA-N 1 3 354.516 2.761 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000594132920 521425036 /nfs/dbraw/zinc/42/50/36/521425036.db2.gz HBDLSJSDLZKWMZ-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000608290123 521646379 /nfs/dbraw/zinc/64/63/79/521646379.db2.gz NRJGTLZRMAWGGQ-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000608290123 521646382 /nfs/dbraw/zinc/64/63/82/521646382.db2.gz NRJGTLZRMAWGGQ-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000628744278 521768235 /nfs/dbraw/zinc/76/82/35/521768235.db2.gz FAPJLBXICCDIAB-OALUTQOASA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000628744278 521768239 /nfs/dbraw/zinc/76/82/39/521768239.db2.gz FAPJLBXICCDIAB-OALUTQOASA-N 1 3 361.505 2.886 20 0 FFADHO Cc1ccc(NC(=O)C[C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)c1 ZINC000635007034 521863566 /nfs/dbraw/zinc/86/35/66/521863566.db2.gz DCUWRNXRRAPHQM-KRWDZBQOSA-N 1 3 367.497 2.937 20 0 FFADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(NS(C)(=O)=O)cc1 ZINC000635010828 521864816 /nfs/dbraw/zinc/86/48/16/521864816.db2.gz NBGLJZCFXFSJIY-CQSZACIVSA-N 1 3 359.495 2.555 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)cc(OC)c1 ZINC000623444807 522026549 /nfs/dbraw/zinc/02/65/49/522026549.db2.gz SSSLPEJVXWWUGN-ROUUACIJSA-N 1 3 361.530 2.741 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)cc(OC)c1 ZINC000623444807 522026556 /nfs/dbraw/zinc/02/65/56/522026556.db2.gz SSSLPEJVXWWUGN-ROUUACIJSA-N 1 3 361.530 2.741 20 0 FFADHO CN1CC[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC1(C)C ZINC000623571477 522127685 /nfs/dbraw/zinc/12/76/85/522127685.db2.gz XZSJRXUCENGQEZ-IBGZPJMESA-N 1 3 356.558 2.804 20 0 FFADHO C[N@@H+]1CC[C@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC1(C)C ZINC000623571477 522127694 /nfs/dbraw/zinc/12/76/94/522127694.db2.gz XZSJRXUCENGQEZ-IBGZPJMESA-N 1 3 356.558 2.804 20 0 FFADHO C[N@H+]1CC[C@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC1(C)C ZINC000623571477 522127702 /nfs/dbraw/zinc/12/77/02/522127702.db2.gz XZSJRXUCENGQEZ-IBGZPJMESA-N 1 3 356.558 2.804 20 0 FFADHO Cc1cc(Br)cc(CNCCOCCC[NH3+])c1OC(F)F ZINC000629402328 522191722 /nfs/dbraw/zinc/19/17/22/522191722.db2.gz ZLSALGLIKMESJQ-UHFFFAOYSA-N 1 3 367.234 2.814 20 0 FFADHO CCc1nc(C(C)C)ccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000629516772 522293695 /nfs/dbraw/zinc/29/36/95/522293695.db2.gz PJUYANUTQVEBTQ-UTKZUKDTSA-N 1 3 372.557 2.848 20 0 FFADHO Fc1cc(Cl)ccc1N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000629548219 522302912 /nfs/dbraw/zinc/30/29/12/522302912.db2.gz WLAPMGXFTDDXNJ-CWLKWCNXSA-N 1 3 367.896 2.805 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000632950592 522422605 /nfs/dbraw/zinc/42/26/05/522422605.db2.gz NIFSMRULRWEZPP-UHFFFAOYSA-N 1 3 357.502 2.600 20 0 FFADHO CN1CCC(n2cc(NC(=O)N(CCC[NH3+])Cc3ccccc3)cn2)CC1 ZINC000632961233 522428725 /nfs/dbraw/zinc/42/87/25/522428725.db2.gz PPKOYSWDTNOTBA-UHFFFAOYSA-N 1 3 370.501 2.533 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000635714867 522472926 /nfs/dbraw/zinc/47/29/26/522472926.db2.gz FHGBFMZQHFLYRD-RBUKOAKNSA-N 1 3 367.497 2.610 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000635714867 522472936 /nfs/dbraw/zinc/47/29/36/522472936.db2.gz FHGBFMZQHFLYRD-RBUKOAKNSA-N 1 3 367.497 2.610 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624120762 522490251 /nfs/dbraw/zinc/49/02/51/522490251.db2.gz GKTLEAKKORBICF-CVEARBPZSA-N 1 3 353.532 2.831 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000633074960 522516176 /nfs/dbraw/zinc/51/61/76/522516176.db2.gz WUFHTVBPJUSAOA-HKUYNNGSSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000633074960 522516186 /nfs/dbraw/zinc/51/61/86/522516186.db2.gz WUFHTVBPJUSAOA-HKUYNNGSSA-N 1 3 358.530 2.538 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000626921643 522531185 /nfs/dbraw/zinc/53/11/85/522531185.db2.gz FNDFBQAMWAHFEJ-GVDBMIGSSA-N 1 3 364.559 2.961 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccccc1CN1CCCCC1)C2 ZINC000626926708 522534495 /nfs/dbraw/zinc/53/44/95/522534495.db2.gz CWCZQSMUXPYXGJ-SZPZYZBQSA-N 1 3 370.541 2.814 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620970223 522552597 /nfs/dbraw/zinc/55/25/97/522552597.db2.gz NGBBKCYWXHSZQB-MRXNPFEDSA-N 1 3 373.497 2.677 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1Cc1ccccc1 ZINC000626995820 522578787 /nfs/dbraw/zinc/57/87/87/522578787.db2.gz ZSACDCMDKAZGRR-YKWDRNOUSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000630038665 522599286 /nfs/dbraw/zinc/59/92/86/522599286.db2.gz FGTCLGGVUDZQDV-JRGCBEDISA-N 1 3 352.563 2.875 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000630038665 522599295 /nfs/dbraw/zinc/59/92/95/522599295.db2.gz FGTCLGGVUDZQDV-JRGCBEDISA-N 1 3 352.563 2.875 20 0 FFADHO O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C1CCC1 ZINC000624345235 522621048 /nfs/dbraw/zinc/62/10/48/522621048.db2.gz ZTTTVWOEZGLMOU-WJMWBRGCSA-N 1 3 353.510 2.925 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000627166233 522689447 /nfs/dbraw/zinc/68/94/47/522689447.db2.gz ARBCDSLKAQXYGW-OJAHFUOMSA-N 1 3 358.530 2.821 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000627167096 522689993 /nfs/dbraw/zinc/68/99/93/522689993.db2.gz WGQJTGKKOZHKIV-SLFFLAALSA-N 1 3 358.530 2.681 20 0 FFADHO COc1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000621641117 522991617 /nfs/dbraw/zinc/99/16/17/522991617.db2.gz ADOPHJCZVUOJNB-PXNSSMCTSA-N 1 3 359.514 2.728 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000636471183 523002742 /nfs/dbraw/zinc/00/27/42/523002742.db2.gz AOSRNOGJWPZQKF-HXUWFJFHSA-N 1 3 372.557 2.819 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000636475577 523006016 /nfs/dbraw/zinc/00/60/16/523006016.db2.gz YDGVGPORWZKNNZ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621667878 523007014 /nfs/dbraw/zinc/00/70/14/523007014.db2.gz OEWATCJJBBCWML-LJQANCHMSA-N 1 3 358.530 2.926 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621667877 523007375 /nfs/dbraw/zinc/00/73/75/523007375.db2.gz OEWATCJJBBCWML-IBGZPJMESA-N 1 3 358.530 2.926 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3Cc4ccc(Cl)cc43)CC2)CC1 ZINC000630863411 523197676 /nfs/dbraw/zinc/19/76/76/523197676.db2.gz VVDUFCSJTRDASV-LJQANCHMSA-N 1 3 361.917 2.655 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000622044425 523235287 /nfs/dbraw/zinc/23/52/87/523235287.db2.gz FLTJWFBBYCDASL-RBUKOAKNSA-N 1 3 353.466 2.577 20 0 FFADHO CN(CC1CCN(C)CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625258766 523298358 /nfs/dbraw/zinc/29/83/58/523298358.db2.gz LYDABYKMUBHPAF-FCHUYYIVSA-N 1 3 369.553 2.945 20 0 FFADHO CN(CC1CCN(C)CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625258766 523298367 /nfs/dbraw/zinc/29/83/67/523298367.db2.gz LYDABYKMUBHPAF-FCHUYYIVSA-N 1 3 369.553 2.945 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+]C34CCC4)c(C)c2)CC1 ZINC000625835851 523710204 /nfs/dbraw/zinc/71/02/04/523710204.db2.gz WWGLYHYSKJTWPU-LJQANCHMSA-N 1 3 371.529 2.543 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C[NH2+]1 ZINC000625854756 523720623 /nfs/dbraw/zinc/72/06/23/523720623.db2.gz FUTQHUAMTDLMMB-CRAIPNDOSA-N 1 3 362.543 2.540 20 0 FFADHO CCCC[C@H](NCC1(SC)CC[NH+](C)CC1)C(=O)Nc1cc(C)on1 ZINC000519244994 562127933 /nfs/dbraw/zinc/12/79/33/562127933.db2.gz HWBZMDWLHBRKDF-HNNXBMFYSA-N 1 3 368.547 2.897 20 0 FFADHO C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1cccc(C[NH+](C)C)c1 ZINC000924611644 738433953 /nfs/dbraw/zinc/43/39/53/738433953.db2.gz ZHPNPQUBVKRILH-OAHLLOKOSA-N 1 3 361.511 2.971 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000924663929 738437539 /nfs/dbraw/zinc/43/75/39/738437539.db2.gz YPIJDVVLOUVEBA-AWEZNQCLSA-N 1 3 355.324 2.522 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCc2ncc(Br)cc21)CN1CCCCC1 ZINC000924756911 738444453 /nfs/dbraw/zinc/44/44/53/738444453.db2.gz NONVMRZJXJQSSF-RHSMWYFYSA-N 1 3 368.319 2.658 20 0 FFADHO CC(C)(O)C[NH+]1CCC(NCCc2nc(-c3ccncc3)cs2)CC1 ZINC000638682679 730039017 /nfs/dbraw/zinc/03/90/17/730039017.db2.gz ZHUYLPGDVNHUMP-UHFFFAOYSA-N 1 3 360.527 2.573 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000857304311 730390090 /nfs/dbraw/zinc/39/00/90/730390090.db2.gz GJSXGDGHKORXEY-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000857304311 730390092 /nfs/dbraw/zinc/39/00/92/730390092.db2.gz GJSXGDGHKORXEY-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO COc1cc(OC)cc([C@@H](O)C[NH2+]C2CCN(CCC(C)C)CC2)c1 ZINC000925098409 738478567 /nfs/dbraw/zinc/47/85/67/738478567.db2.gz UWBFGSDVMLUTFJ-FQEVSTJZSA-N 1 3 350.503 2.837 20 0 FFADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000863552160 730790276 /nfs/dbraw/zinc/79/02/76/730790276.db2.gz PSXMNXQIIFLIEJ-ASPXRTSYSA-N 1 3 354.535 2.712 20 0 FFADHO OC1(CNCc2cnc(Cl)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000865604527 730975854 /nfs/dbraw/zinc/97/58/54/730975854.db2.gz UXUYZAFNQALKEF-UHFFFAOYSA-N 1 3 363.864 2.991 20 0 FFADHO COc1cc(OC)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000651721087 731121503 /nfs/dbraw/zinc/12/15/03/731121503.db2.gz SBLKMYYZVRGQKG-GASCZTMLSA-N 1 3 354.466 2.822 20 0 FFADHO CCc1nc(CN2CCC(CN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cs1 ZINC000925576959 738515316 /nfs/dbraw/zinc/51/53/16/738515316.db2.gz ZKFXAZJAWRMLTO-WLWDNUHBSA-N 1 3 360.571 2.504 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653114773 731240716 /nfs/dbraw/zinc/24/07/16/731240716.db2.gz WEJXGMRHQWGNFJ-OALUTQOASA-N 1 3 359.539 2.747 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cc2C1 ZINC000653128158 731241475 /nfs/dbraw/zinc/24/14/75/731241475.db2.gz SCZQNMMCMZMMIE-BNOWGMLFSA-N 1 3 357.376 2.584 20 0 FFADHO OC[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)Cc1ccc(F)c(F)c1 ZINC000925659508 738521021 /nfs/dbraw/zinc/52/10/21/738521021.db2.gz VQSIZJYZDLZKKO-VPWXQRGCSA-N 1 3 352.469 2.874 20 0 FFADHO CN1CCC[C@H](C[NH2+]C2CCN([C@H]3CCOC3)CC2)[C@H]1c1cccs1 ZINC000655715508 731501944 /nfs/dbraw/zinc/50/19/44/731501944.db2.gz LBWCCILCSHDDCM-KPFFTGBYSA-N 1 3 363.571 2.974 20 0 FFADHO c1cc(CN2CCSCC2)cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655742818 731504128 /nfs/dbraw/zinc/50/41/28/731504128.db2.gz BBIJUAJLKZGDFS-FQEVSTJZSA-N 1 3 361.555 2.901 20 0 FFADHO COc1ccc([C@H](C)NCCN2CCC([NH3+])CC2)c(Br)c1 ZINC000925815409 738532232 /nfs/dbraw/zinc/53/22/32/738532232.db2.gz QEPARDBDTZFVCJ-LBPRGKRZSA-N 1 3 356.308 2.531 20 0 FFADHO O=C1O[C@@H](CN[C@H]2CCSc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925852767 738537243 /nfs/dbraw/zinc/53/72/43/738537243.db2.gz IEDZVMUCOCPKQS-HIFRSBDPSA-N 1 3 350.459 2.638 20 0 FFADHO CSc1ccc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925855047 738537881 /nfs/dbraw/zinc/53/78/81/738537881.db2.gz SSRKWWVMUNYILO-GXTWGEPZSA-N 1 3 352.475 2.884 20 0 FFADHO COC(=O)c1cc(C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)no1 ZINC000873220528 731892646 /nfs/dbraw/zinc/89/26/46/731892646.db2.gz UDTADHCKDOPZIP-UHFFFAOYSA-N 1 3 361.467 2.548 20 0 FFADHO Cc1c([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000873254158 731895704 /nfs/dbraw/zinc/89/57/04/731895704.db2.gz LXOFHXIJSMNPLY-VHRBIJSZSA-N 1 3 364.291 2.726 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000660500109 732115991 /nfs/dbraw/zinc/11/59/91/732115991.db2.gz KAMQSTJQHOVCOJ-GOSISDBHSA-N 1 3 350.551 2.813 20 0 FFADHO OCCCN(Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253296 732288630 /nfs/dbraw/zinc/28/86/30/732288630.db2.gz IDDKHSRLGMRRIU-AWEZNQCLSA-N 1 3 359.297 2.699 20 0 FFADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292969 732293674 /nfs/dbraw/zinc/29/36/74/732293674.db2.gz PSIIGWUQZAXWGH-WBVHZDCISA-N 1 3 361.555 2.733 20 0 FFADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292959 732293846 /nfs/dbraw/zinc/29/38/46/732293846.db2.gz PSIIGWUQZAXWGH-DOTOQJQBSA-N 1 3 361.555 2.733 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccco1 ZINC000664874403 732642659 /nfs/dbraw/zinc/64/26/59/732642659.db2.gz JQCAZRGDJMKZFP-JYJNAYRXSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccco1 ZINC000664874403 732642663 /nfs/dbraw/zinc/64/26/63/732642663.db2.gz JQCAZRGDJMKZFP-JYJNAYRXSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc(Cl)ccc1F ZINC000665761847 732753053 /nfs/dbraw/zinc/75/30/53/732753053.db2.gz RMBBMZZJDPEWPF-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc(Cl)ccc1F ZINC000665761847 732753056 /nfs/dbraw/zinc/75/30/56/732753056.db2.gz RMBBMZZJDPEWPF-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO C[NH+](C)Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000665935374 732776152 /nfs/dbraw/zinc/77/61/52/732776152.db2.gz FFRQRWOAPQSGBB-CABCVRRESA-N 1 3 360.376 2.671 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000666775491 732895371 /nfs/dbraw/zinc/89/53/71/732895371.db2.gz PAEPTLZXYYZSSY-QWHCGFSZSA-N 1 3 354.461 2.535 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000666775491 732895375 /nfs/dbraw/zinc/89/53/75/732895375.db2.gz PAEPTLZXYYZSSY-QWHCGFSZSA-N 1 3 354.461 2.535 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]C3CCN(C(C)(C)C)CC3)[C@@H]2C1 ZINC000926996094 738680168 /nfs/dbraw/zinc/68/01/68/738680168.db2.gz WHNUFSYBPTWQNU-OSYLJGHBSA-N 1 3 351.535 2.952 20 0 FFADHO C[NH+](C)CCOCCN[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000683691385 734176056 /nfs/dbraw/zinc/17/60/56/734176056.db2.gz CBPNBNQKDHNYCO-IRXDYDNUSA-N 1 3 371.319 2.837 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727070271 734463054 /nfs/dbraw/zinc/46/30/54/734463054.db2.gz DNHIFJYHUWSMQE-UHFFFAOYSA-N 1 3 366.575 2.638 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000892933204 734625101 /nfs/dbraw/zinc/62/51/01/734625101.db2.gz QVLXIWGAEAJVLS-MRXNPFEDSA-N 1 3 352.910 2.856 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3cnc(CC(F)(F)F)s3)C2)CC1 ZINC000892947300 734626953 /nfs/dbraw/zinc/62/69/53/734626953.db2.gz BTRFDUJESDVMKO-LBPRGKRZSA-N 1 3 362.465 2.506 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000733753110 734846414 /nfs/dbraw/zinc/84/64/14/734846414.db2.gz GGANLNRWYIVPTB-SJORKVTESA-N 1 3 352.592 2.542 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000733753110 734846421 /nfs/dbraw/zinc/84/64/21/734846421.db2.gz GGANLNRWYIVPTB-SJORKVTESA-N 1 3 352.592 2.542 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000902328769 735932855 /nfs/dbraw/zinc/93/28/55/735932855.db2.gz NGJBVARTAUEMDV-DZGCQCFKSA-N 1 3 354.878 2.512 20 0 FFADHO CCNC(=O)N1CC[C@@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902351675 735935833 /nfs/dbraw/zinc/93/58/33/735935833.db2.gz FQPBCMOSZHMLSQ-PBHICJAKSA-N 1 3 354.445 2.528 20 0 FFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902802160 735993533 /nfs/dbraw/zinc/99/35/33/735993533.db2.gz IXOLJOVVYNVHLT-DZGCQCFKSA-N 1 3 356.436 2.920 20 0 FFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(C4(O)CCOCC4)CC3)CC2)C1 ZINC000903349763 736078766 /nfs/dbraw/zinc/07/87/66/736078766.db2.gz KICSGFLZYCZREB-MJGOQNOKSA-N 1 3 350.547 2.941 20 0 FFADHO Clc1ccccc1OC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903753576 736162584 /nfs/dbraw/zinc/16/25/84/736162584.db2.gz WLOVLESQLVFGBI-QFBILLFUSA-N 1 3 350.890 2.952 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cc(Cl)cc(Cl)c1F ZINC000904388726 736247916 /nfs/dbraw/zinc/24/79/16/736247916.db2.gz AHZRWXWIHCOJOH-GHMZBOCLSA-N 1 3 362.276 2.980 20 0 FFADHO CN1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC12CCCCC2 ZINC000908571435 736796454 /nfs/dbraw/zinc/79/64/54/736796454.db2.gz IIHKVIHWVBMYCA-SFHVURJKSA-N 1 3 365.587 2.681 20 0 FFADHO CN1CCC(NC(=S)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000920310237 737899892 /nfs/dbraw/zinc/89/98/92/737899892.db2.gz YDBGTMZXNKGGCA-UHFFFAOYSA-N 1 3 352.592 2.543 20 0 FFADHO CCN(CC)c1ncc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922389780 738136027 /nfs/dbraw/zinc/13/60/27/738136027.db2.gz WNBCTSQWZBZFKH-YWTNHNAXSA-N 1 3 366.575 2.559 20 0 FFADHO CCN(CC)c1ncc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922389780 738136030 /nfs/dbraw/zinc/13/60/30/738136030.db2.gz WNBCTSQWZBZFKH-YWTNHNAXSA-N 1 3 366.575 2.559 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(F)c3)C2)[C@@H]1C(C)C ZINC000922393990 738137028 /nfs/dbraw/zinc/13/70/28/738137028.db2.gz MMSQHZAWEBSERY-XLMAVXFVSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(F)c3)C2)[C@@H]1C(C)C ZINC000922393990 738137030 /nfs/dbraw/zinc/13/70/30/738137030.db2.gz MMSQHZAWEBSERY-XLMAVXFVSA-N 1 3 355.885 2.834 20 0 FFADHO FC(F)(F)c1csc([C@@H]2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000923370380 738276953 /nfs/dbraw/zinc/27/69/53/738276953.db2.gz GBONAHBRGXDSQG-VXGBXAGGSA-N 1 3 361.433 2.720 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(Br)cc1 ZINC000923503153 738292655 /nfs/dbraw/zinc/29/26/55/738292655.db2.gz HDBVXWUEOJZKLN-VNHYZAJKSA-N 1 3 368.319 2.543 20 0 FFADHO Cc1c(Cl)cccc1N1CCC[N@H+](C[C@H](O)CN2CCCC2)CC1 ZINC000792886628 739715349 /nfs/dbraw/zinc/71/53/49/739715349.db2.gz FRQIAJQKSFEOHL-QGZVFWFLSA-N 1 3 351.922 2.617 20 0 FFADHO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@H](O)CN2CCCC2)CC1 ZINC000792886628 739715353 /nfs/dbraw/zinc/71/53/53/739715353.db2.gz FRQIAJQKSFEOHL-QGZVFWFLSA-N 1 3 351.922 2.617 20 0 FFADHO O=C(OCCC[NH+]1CCCC1)C1CCN(c2cccc(Cl)c2)C1=O ZINC000800175524 740496543 /nfs/dbraw/zinc/49/65/43/740496543.db2.gz OSWRGPAICUCAQB-INIZCTEOSA-N 1 3 350.846 2.722 20 0 FFADHO C[N@H+](C[C@H](O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1)C1CC1 ZINC000809953419 741365974 /nfs/dbraw/zinc/36/59/74/741365974.db2.gz NPJUDCHTWPAAEO-SQNIBIBYSA-N 1 3 352.544 2.871 20 0 FFADHO C[N@@H+](C[C@H](O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1)C1CC1 ZINC000809953419 741365976 /nfs/dbraw/zinc/36/59/76/741365976.db2.gz NPJUDCHTWPAAEO-SQNIBIBYSA-N 1 3 352.544 2.871 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000813879732 741770390 /nfs/dbraw/zinc/77/03/90/741770390.db2.gz RHDVFIGZCJLBJI-RDJZCZTQSA-N 1 3 355.498 2.798 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnc(Cl)s3)C2)CC[N@@H+]1C ZINC000998792850 742045784 /nfs/dbraw/zinc/04/57/84/742045784.db2.gz CKQQTLOAXJJWRI-CXTZMWEQSA-N 1 3 370.950 2.606 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnc(Cl)s3)C2)CC[N@H+]1C ZINC000998792850 742045788 /nfs/dbraw/zinc/04/57/88/742045788.db2.gz CKQQTLOAXJJWRI-CXTZMWEQSA-N 1 3 370.950 2.606 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000819084263 742335860 /nfs/dbraw/zinc/33/58/60/742335860.db2.gz LSKQGBJIGIEINC-ACJLOTCBSA-N 1 3 356.869 2.603 20 0 FFADHO O=S(=O)(CCNC1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1 ZINC000819138921 742342248 /nfs/dbraw/zinc/34/22/48/742342248.db2.gz ZYWYDMPTKPKCID-UHFFFAOYSA-N 1 3 368.518 2.986 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827127886 743513355 /nfs/dbraw/zinc/51/33/55/743513355.db2.gz XELJZKMHMXRVCE-JKIFEVAISA-N 1 3 366.937 2.918 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827127886 743513366 /nfs/dbraw/zinc/51/33/66/743513366.db2.gz XELJZKMHMXRVCE-JKIFEVAISA-N 1 3 366.937 2.918 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830745057 745423941 /nfs/dbraw/zinc/42/39/41/745423941.db2.gz AYVDFRYJDBVJJM-GOEBONIOSA-N 1 3 352.910 2.624 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830745057 745423943 /nfs/dbraw/zinc/42/39/43/745423943.db2.gz AYVDFRYJDBVJJM-GOEBONIOSA-N 1 3 352.910 2.624 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCS[C@@H](C)C3)CC2)CC1 ZINC000834645611 745876504 /nfs/dbraw/zinc/87/65/04/745876504.db2.gz ZYAULEHTDHPRLB-DOTOQJQBSA-N 1 3 353.576 2.583 20 0 FFADHO COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1CN1CCCCC1 ZINC000182999287 971083974 /nfs/dbraw/zinc/08/39/74/971083974.db2.gz UHBSCKUVESGKBQ-LPHOPBHVSA-N 1 3 359.514 2.953 20 0 FFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC(=O)N(C3CC3)C2)ccc1OC ZINC000183314862 971111133 /nfs/dbraw/zinc/11/11/33/971111133.db2.gz QSJWNXVFNHSWFP-YJBOKZPZSA-N 1 3 359.514 2.951 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1)[NH+]1CCCCC1 ZINC001087966603 971373674 /nfs/dbraw/zinc/37/36/74/971373674.db2.gz LJGDLXLVULXHOS-WOTWFYSVSA-N 1 3 353.938 2.784 20 0 FFADHO CCCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001105066918 971446730 /nfs/dbraw/zinc/44/67/30/971446730.db2.gz GJVIXAIJPBWCRN-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)[C@H]1c1ccccc1 ZINC000669545921 971666164 /nfs/dbraw/zinc/66/61/64/971666164.db2.gz YKDWJBWLPZUBTC-WOJBJXKFSA-N 1 3 352.482 2.602 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCc3cccs3)CC[C@@H]2C1)C1CCC1 ZINC001087995079 971745907 /nfs/dbraw/zinc/74/59/07/971745907.db2.gz RDJCLZRFTMYLHM-SJORKVTESA-N 1 3 361.555 2.555 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCc3cccs3)CC[C@@H]2C1)C1CCC1 ZINC001087995079 971745909 /nfs/dbraw/zinc/74/59/09/971745909.db2.gz RDJCLZRFTMYLHM-SJORKVTESA-N 1 3 361.555 2.555 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999608 971777974 /nfs/dbraw/zinc/77/79/74/971777974.db2.gz UAHQHPZTSSNVOL-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999608 971777978 /nfs/dbraw/zinc/77/79/78/971777978.db2.gz UAHQHPZTSSNVOL-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]2C1)N(C)C ZINC001088010900 971843916 /nfs/dbraw/zinc/84/39/16/971843916.db2.gz PMYQEUQWUZXHQU-BHIFYINESA-N 1 3 369.553 2.796 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]2C1)N(C)C ZINC001088010900 971843923 /nfs/dbraw/zinc/84/39/23/971843923.db2.gz PMYQEUQWUZXHQU-BHIFYINESA-N 1 3 369.553 2.796 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088011316 971845273 /nfs/dbraw/zinc/84/52/73/971845273.db2.gz IJWLLERVDMVBRW-QHAWAJNXSA-N 1 3 357.542 2.740 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088011316 971845279 /nfs/dbraw/zinc/84/52/79/971845279.db2.gz IJWLLERVDMVBRW-QHAWAJNXSA-N 1 3 357.542 2.740 20 0 FFADHO O=C(N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001088025857 971917379 /nfs/dbraw/zinc/91/73/79/971917379.db2.gz FOITYMBVETTYPL-MOPGFXCFSA-N 1 3 371.500 2.734 20 0 FFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c(C)c1 ZINC000974608311 972056276 /nfs/dbraw/zinc/05/62/76/972056276.db2.gz YTSQBEITNPSLLV-MISYRCLQSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c(C)c1 ZINC000974608311 972056282 /nfs/dbraw/zinc/05/62/82/972056282.db2.gz YTSQBEITNPSLLV-MISYRCLQSA-N 1 3 357.542 2.970 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C[C@@H](C)O1 ZINC000660541694 972186116 /nfs/dbraw/zinc/18/61/16/972186116.db2.gz XPFPZXWUFODWBU-SJBKTWHCSA-N 1 3 357.542 2.694 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C[C@@H](C)O1 ZINC000660541694 972186120 /nfs/dbraw/zinc/18/61/20/972186120.db2.gz XPFPZXWUFODWBU-SJBKTWHCSA-N 1 3 357.542 2.694 20 0 FFADHO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCc2ccccc2C1 ZINC000652127294 972245323 /nfs/dbraw/zinc/24/53/23/972245323.db2.gz LMASOGVYXCTBCT-VWPQPMDRSA-N 1 3 370.541 2.594 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C4CCC4)CC3)CC2)CC1 ZINC000660574028 972254639 /nfs/dbraw/zinc/25/46/39/972254639.db2.gz NVPWLIUPSWGMME-UHFFFAOYSA-N 1 3 362.562 2.767 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3cccnc3)C3CC3)CC2)CC1 ZINC000654968621 959214817 /nfs/dbraw/zinc/21/48/17/959214817.db2.gz GBJPGOVZTPMEES-OAQYLSRUSA-N 1 3 370.541 2.845 20 0 FFADHO C[N@@H+]1CCC[C@H](CN(Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C1 ZINC001208612324 959492546 /nfs/dbraw/zinc/49/25/46/959492546.db2.gz MLWCZQFUZUUMBS-XUVXKRRUSA-N 1 3 357.498 2.814 20 0 FFADHO C[N@H+]1CCC[C@H](CN(Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C1 ZINC001208612324 959492554 /nfs/dbraw/zinc/49/25/54/959492554.db2.gz MLWCZQFUZUUMBS-XUVXKRRUSA-N 1 3 357.498 2.814 20 0 FFADHO COc1ccc(F)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1Cl ZINC001143376934 960005137 /nfs/dbraw/zinc/00/51/37/960005137.db2.gz LHEQWGQIQMBHBV-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO COc1cccc([C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N(C)C)c1 ZINC000655679701 961054343 /nfs/dbraw/zinc/05/43/43/961054343.db2.gz FHAHAOOPDMLOHG-RTWAWAEBSA-N 1 3 361.530 2.531 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]Cc1ccccc1F ZINC001104288059 961839382 /nfs/dbraw/zinc/83/93/82/961839382.db2.gz SAFCNOZQDVXLLJ-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001095425152 1013334816 /nfs/dbraw/zinc/33/48/16/1013334816.db2.gz DOKGPYBJLKUDDR-CZYKHXBRSA-N 1 3 367.537 2.812 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001104294443 962379282 /nfs/dbraw/zinc/37/92/82/962379282.db2.gz PZKHSQKOBPXBMO-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000649370215 1013380370 /nfs/dbraw/zinc/38/03/70/1013380370.db2.gz HTVWZRKGAQYSCJ-MJGOQNOKSA-N 1 3 359.489 2.829 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)c2ccccc2O1 ZINC000684162752 963540750 /nfs/dbraw/zinc/54/07/50/963540750.db2.gz HUHHGNMFKRTXIX-SFHVURJKSA-N 1 3 359.514 2.997 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)c2ccccc2O1 ZINC000684162752 963540759 /nfs/dbraw/zinc/54/07/59/963540759.db2.gz HUHHGNMFKRTXIX-SFHVURJKSA-N 1 3 359.514 2.997 20 0 FFADHO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873218355 1013431050 /nfs/dbraw/zinc/43/10/50/1013431050.db2.gz DNEKPRIXPGIZGF-MRXNPFEDSA-N 1 3 365.481 2.846 20 0 FFADHO c1cc2n(n1)C[C@H](CN1CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CN2 ZINC000684200596 963658250 /nfs/dbraw/zinc/65/82/50/963658250.db2.gz SMHBACAXNBERIE-PWRODBHTSA-N 1 3 365.525 2.911 20 0 FFADHO c1cc2n(n1)C[C@H](CN1CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)CN2 ZINC000684200596 963658252 /nfs/dbraw/zinc/65/82/52/963658252.db2.gz SMHBACAXNBERIE-PWRODBHTSA-N 1 3 365.525 2.911 20 0 FFADHO Cc1ccc(F)cc1CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960642247 1013436917 /nfs/dbraw/zinc/43/69/17/1013436917.db2.gz OTCYRWKAGHPFJB-LSTHTHJFSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(F)cc1CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960642247 1013436920 /nfs/dbraw/zinc/43/69/20/1013436920.db2.gz OTCYRWKAGHPFJB-LSTHTHJFSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1c([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cnn1C(C)(C)C ZINC000873244409 1013444715 /nfs/dbraw/zinc/44/47/15/1013444715.db2.gz RYFGXEQSNRBCPG-AWEZNQCLSA-N 1 3 367.501 2.837 20 0 FFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246808 1013446051 /nfs/dbraw/zinc/44/60/51/1013446051.db2.gz BRIYHMJAKWVUTN-NRFANRHFSA-N 1 3 363.465 2.902 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](OC)C2CCC2)C1 ZINC001104362889 964093913 /nfs/dbraw/zinc/09/39/13/964093913.db2.gz OEEWYYOZTMMATH-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO C[NH+](C)CCOc1ccc(CNc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000656793630 964134644 /nfs/dbraw/zinc/13/46/44/964134644.db2.gz VMPCSRUISYYURM-NRFANRHFSA-N 1 3 355.482 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3ccncc3Cl)CCCC2)CC[N@@H+]1C ZINC001269549276 964197350 /nfs/dbraw/zinc/19/73/50/964197350.db2.gz JSBKPOGUCAIQMY-GDBMZVCRSA-N 1 3 364.921 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3ccncc3Cl)CCCC2)CC[N@H+]1C ZINC001269549276 964197353 /nfs/dbraw/zinc/19/73/53/964197353.db2.gz JSBKPOGUCAIQMY-GDBMZVCRSA-N 1 3 364.921 2.594 20 0 FFADHO CCN(C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664407355 964281352 /nfs/dbraw/zinc/28/13/52/964281352.db2.gz WRKKNDSCQVCPRW-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664407355 964281366 /nfs/dbraw/zinc/28/13/66/964281366.db2.gz WRKKNDSCQVCPRW-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CN1C[C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)[C@H](c2ccccc2)C1 ZINC000655779807 964438508 /nfs/dbraw/zinc/43/85/08/964438508.db2.gz RLXLHMVPFUEZKV-FCEUIQTBSA-N 1 3 357.542 2.565 20 0 FFADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925020604 964797386 /nfs/dbraw/zinc/79/73/86/964797386.db2.gz RBEANMMKPYZOOQ-INIZCTEOSA-N 1 3 361.530 2.507 20 0 FFADHO c1cc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)n(-c2ccncc2)n1 ZINC000657351290 966254286 /nfs/dbraw/zinc/25/42/86/966254286.db2.gz ASFHNERBKVRGCR-HXUWFJFHSA-N 1 3 361.493 2.922 20 0 FFADHO c1cc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)n(-c2ccncc2)n1 ZINC000657351290 966254293 /nfs/dbraw/zinc/25/42/93/966254293.db2.gz ASFHNERBKVRGCR-HXUWFJFHSA-N 1 3 361.493 2.922 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3cccs3)cc2)C1 ZINC000657594608 966939134 /nfs/dbraw/zinc/93/91/34/966939134.db2.gz JALTXVOZXKSVBF-SFHVURJKSA-N 1 3 368.506 2.995 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3cccs3)cc2)C1 ZINC000657594608 966939143 /nfs/dbraw/zinc/93/91/43/966939143.db2.gz JALTXVOZXKSVBF-SFHVURJKSA-N 1 3 368.506 2.995 20 0 FFADHO Cn1cncc1N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H]([NH3+])Cc1ccccc1 ZINC001167637498 967084196 /nfs/dbraw/zinc/08/41/96/967084196.db2.gz AWOUAVJLKSBSMS-ACRUOGEOSA-N 1 3 364.493 2.764 20 0 FFADHO Cc1ncsc1CN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001267257778 967499052 /nfs/dbraw/zinc/49/90/52/967499052.db2.gz UYJFNGNEXMXPCF-HZPDHXFCSA-N 1 3 352.548 2.508 20 0 FFADHO Cc1ncsc1CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001267257778 967499055 /nfs/dbraw/zinc/49/90/55/967499055.db2.gz UYJFNGNEXMXPCF-HZPDHXFCSA-N 1 3 352.548 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2C)CC[N@@H+]1C ZINC001029314319 967687321 /nfs/dbraw/zinc/68/73/21/967687321.db2.gz OALIHBXDIMYJRX-JSXRDJHFSA-N 1 3 355.526 2.901 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2C)CC[N@H+]1C ZINC001029314319 967687328 /nfs/dbraw/zinc/68/73/28/967687328.db2.gz OALIHBXDIMYJRX-JSXRDJHFSA-N 1 3 355.526 2.901 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc(F)cc1C ZINC001087577929 968215982 /nfs/dbraw/zinc/21/59/82/968215982.db2.gz QVXGHGWZTFOKIL-GEALJGNFSA-N 1 3 361.505 2.943 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc(F)cc1C ZINC001087577929 968215991 /nfs/dbraw/zinc/21/59/91/968215991.db2.gz QVXGHGWZTFOKIL-GEALJGNFSA-N 1 3 361.505 2.943 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CC[N@@H+]1Cc1cnc(C)s1 ZINC001087773493 969015815 /nfs/dbraw/zinc/01/58/15/969015815.db2.gz QHUMUMKKPMIGEV-ZWKOTPCHSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CC[N@H+]1Cc1cnc(C)s1 ZINC001087773493 969015823 /nfs/dbraw/zinc/01/58/23/969015823.db2.gz QHUMUMKKPMIGEV-ZWKOTPCHSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1Cc1cnc(C)s1 ZINC001087773493 969015832 /nfs/dbraw/zinc/01/58/32/969015832.db2.gz QHUMUMKKPMIGEV-ZWKOTPCHSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2ncccc2C)CC[N@@H+]1C ZINC001024967980 969426956 /nfs/dbraw/zinc/42/69/56/969426956.db2.gz NIDMTXAQDBTXFH-WSTZPKSXSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2ncccc2C)CC[N@H+]1C ZINC001024967980 969426963 /nfs/dbraw/zinc/42/69/63/969426963.db2.gz NIDMTXAQDBTXFH-WSTZPKSXSA-N 1 3 358.530 2.591 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658957570 969570485 /nfs/dbraw/zinc/57/04/85/969570485.db2.gz NFLICYRILYAHHF-SFTDATJTSA-N 1 3 355.526 2.889 20 0 FFADHO CC1(O)CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000892615892 969605503 /nfs/dbraw/zinc/60/55/03/969605503.db2.gz HGUBLFIKRJEURV-UHFFFAOYSA-N 1 3 359.558 2.868 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659030039 969645154 /nfs/dbraw/zinc/64/51/54/969645154.db2.gz FWDKQISTTIYJND-HXUWFJFHSA-N 1 3 374.529 2.933 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031900 969645439 /nfs/dbraw/zinc/64/54/39/969645439.db2.gz PHDVYQBQHWWHJL-GJYPPUQNSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031900 969645441 /nfs/dbraw/zinc/64/54/41/969645441.db2.gz PHDVYQBQHWWHJL-GJYPPUQNSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659031868 969646572 /nfs/dbraw/zinc/64/65/72/969646572.db2.gz OXHISDGVPHIYIU-GOSISDBHSA-N 1 3 360.502 2.686 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659031868 969646577 /nfs/dbraw/zinc/64/65/77/969646577.db2.gz OXHISDGVPHIYIU-GOSISDBHSA-N 1 3 360.502 2.686 20 0 FFADHO CC(C)(CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C[NH+]1CCCC1 ZINC000659045412 969662907 /nfs/dbraw/zinc/66/29/07/969662907.db2.gz XPXXOKHDEUYYHR-GOSISDBHSA-N 1 3 360.502 2.591 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000659042502 969663775 /nfs/dbraw/zinc/66/37/75/969663775.db2.gz VRFANVCDSUKLAO-FQEVSTJZSA-N 1 3 372.513 2.830 20 0 FFADHO COc1ccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(C(F)(F)F)c1 ZINC001143480821 969786564 /nfs/dbraw/zinc/78/65/64/969786564.db2.gz ZTBPXATYWUQTLW-ZWKOTPCHSA-N 1 3 371.447 2.924 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000659426110 969916689 /nfs/dbraw/zinc/91/66/89/969916689.db2.gz VGPFQGGNOPZONX-UXHICEINSA-N 1 3 358.530 2.711 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000659426913 969917451 /nfs/dbraw/zinc/91/74/51/969917451.db2.gz GZPBGFNOWZZWEH-NHCUHLMSSA-N 1 3 372.557 2.581 20 0 FFADHO Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)s1 ZINC001104639243 970008150 /nfs/dbraw/zinc/00/81/50/970008150.db2.gz MQXPPTUAUHFDSD-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2cc(C)no2)C1)[NH+](CC)CC ZINC001104667496 970068979 /nfs/dbraw/zinc/06/89/79/970068979.db2.gz PHFOBZJGMAPODA-SUMDDJOVSA-N 1 3 364.534 2.678 20 0 FFADHO CCCN(C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659617453 970078025 /nfs/dbraw/zinc/07/80/25/970078025.db2.gz UWAVXNUCEPATFE-FUHYEJFZSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001104676527 970084849 /nfs/dbraw/zinc/08/48/49/970084849.db2.gz NZEGXOQXHPEWOX-BFYDXBDKSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001104729640 970181331 /nfs/dbraw/zinc/18/13/31/970181331.db2.gz YHOUAFBQCYIPGN-BZUAXINKSA-N 1 3 368.472 2.852 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]Cc1ccc(Cl)cc1 ZINC001104729132 970181370 /nfs/dbraw/zinc/18/13/70/970181370.db2.gz PAMNAKLFDRIKDW-GDBMZVCRSA-N 1 3 360.889 2.880 20 0 FFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1C ZINC001104729042 970181466 /nfs/dbraw/zinc/18/14/66/970181466.db2.gz NQQWRDODYNNNRO-IEBWSBKVSA-N 1 3 354.498 2.843 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001104729641 970181617 /nfs/dbraw/zinc/18/16/17/970181617.db2.gz YHOUAFBQCYIPGN-OWCLPIDISA-N 1 3 368.472 2.852 20 0 FFADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1cccc(F)c1 ZINC001104732350 970189002 /nfs/dbraw/zinc/18/90/02/970189002.db2.gz VMBMWTKTXHBCRL-BFYDXBDKSA-N 1 3 358.461 2.927 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665364547 970384098 /nfs/dbraw/zinc/38/40/98/970384098.db2.gz RQPHUQDXLJKMMX-MOPGFXCFSA-N 1 3 358.530 2.775 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665364547 970384106 /nfs/dbraw/zinc/38/41/06/970384106.db2.gz RQPHUQDXLJKMMX-MOPGFXCFSA-N 1 3 358.530 2.775 20 0 FFADHO CC1(C)CC(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@@H]3C2)C1 ZINC001088107298 972830327 /nfs/dbraw/zinc/83/03/27/972830327.db2.gz QPODREMYTDWIIQ-MOPGFXCFSA-N 1 3 361.574 2.935 20 0 FFADHO CC1(C)CC(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@@H]3C2)C1 ZINC001088107298 972830338 /nfs/dbraw/zinc/83/03/38/972830338.db2.gz QPODREMYTDWIIQ-MOPGFXCFSA-N 1 3 361.574 2.935 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088109993 972842344 /nfs/dbraw/zinc/84/23/44/972842344.db2.gz IJWLLERVDMVBRW-HKBOAZHASA-N 1 3 357.542 2.740 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088109993 972842357 /nfs/dbraw/zinc/84/23/57/972842357.db2.gz IJWLLERVDMVBRW-HKBOAZHASA-N 1 3 357.542 2.740 20 0 FFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121247 972917693 /nfs/dbraw/zinc/91/76/93/972917693.db2.gz VZJMTITWDCKZLD-KURKYZTESA-N 1 3 352.482 2.802 20 0 FFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121247 972917702 /nfs/dbraw/zinc/91/77/02/972917702.db2.gz VZJMTITWDCKZLD-KURKYZTESA-N 1 3 352.482 2.802 20 0 FFADHO COC(=O)c1cnc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000896932913 973047464 /nfs/dbraw/zinc/04/74/64/973047464.db2.gz UZNVGBILPSZHNL-WBVHZDCISA-N 1 3 373.522 2.972 20 0 FFADHO COC(=O)c1cnc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000896932913 973047475 /nfs/dbraw/zinc/04/74/75/973047475.db2.gz UZNVGBILPSZHNL-WBVHZDCISA-N 1 3 373.522 2.972 20 0 FFADHO COC(=O)c1cnc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000896932913 973047482 /nfs/dbraw/zinc/04/74/82/973047482.db2.gz UZNVGBILPSZHNL-WBVHZDCISA-N 1 3 373.522 2.972 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000897018506 973157375 /nfs/dbraw/zinc/15/73/75/973157375.db2.gz ZISUPAQJHIXCAG-HOJAQTOUSA-N 1 3 359.514 2.677 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000897018506 973157380 /nfs/dbraw/zinc/15/73/80/973157380.db2.gz ZISUPAQJHIXCAG-HOJAQTOUSA-N 1 3 359.514 2.677 20 0 FFADHO C[C@H](c1ccccc1F)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172565 973501897 /nfs/dbraw/zinc/50/18/97/973501897.db2.gz SPAYCRHNGPYVSH-KURKYZTESA-N 1 3 371.500 2.763 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661100786 973578445 /nfs/dbraw/zinc/57/84/45/973578445.db2.gz WGOAADDCOZGTCP-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661100786 973578453 /nfs/dbraw/zinc/57/84/53/973578453.db2.gz WGOAADDCOZGTCP-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000662729657 973829297 /nfs/dbraw/zinc/82/92/97/973829297.db2.gz JFUAWJQQVNPGSV-FGZHOGPDSA-N 1 3 357.542 2.704 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000665759486 974087619 /nfs/dbraw/zinc/08/76/19/974087619.db2.gz INHYTJIACPSJQH-AWEZNQCLSA-N 1 3 370.488 2.771 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000665759486 974087631 /nfs/dbraw/zinc/08/76/31/974087631.db2.gz INHYTJIACPSJQH-AWEZNQCLSA-N 1 3 370.488 2.771 20 0 FFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC000662869029 974424922 /nfs/dbraw/zinc/42/49/22/974424922.db2.gz VBIRRXAJICDSET-YKCBXCCJSA-N 1 3 359.514 2.520 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccccc1C[NH2+]C)c1ccco1 ZINC000652190874 974689345 /nfs/dbraw/zinc/68/93/45/974689345.db2.gz BDGLROMESLZMOM-MAUKXSAKSA-N 1 3 358.486 2.928 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000652288008 974774189 /nfs/dbraw/zinc/77/41/89/974774189.db2.gz QJIDHLJPBVIWQS-NRFANRHFSA-N 1 3 366.509 2.822 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nncnn2)cc1 ZINC000652308006 974805927 /nfs/dbraw/zinc/80/59/27/974805927.db2.gz WIJSTIPCPFTRGT-LAUBAEHRSA-N 1 3 374.492 2.934 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nncnn2)cc1 ZINC000652308006 974805931 /nfs/dbraw/zinc/80/59/31/974805931.db2.gz WIJSTIPCPFTRGT-LAUBAEHRSA-N 1 3 374.492 2.934 20 0 FFADHO CN(C(=O)NCCC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000652315649 974826376 /nfs/dbraw/zinc/82/63/76/974826376.db2.gz ZZUWNSRWVSLSQG-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)c(C)c2)CC1 ZINC000653124404 1014233573 /nfs/dbraw/zinc/23/35/73/1014233573.db2.gz XWFULMZDCJDVDK-WOJBJXKFSA-N 1 3 356.514 2.606 20 0 FFADHO O=C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)N(Cc1ccccc1)C1CC1 ZINC000662293872 975407544 /nfs/dbraw/zinc/40/75/44/975407544.db2.gz UGQSGEMRRCMQBF-HXUWFJFHSA-N 1 3 355.526 2.889 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000653194549 1014260015 /nfs/dbraw/zinc/26/00/15/1014260015.db2.gz MSXHVEMIXVBTQN-LQWHRVPQSA-N 1 3 359.489 2.625 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000662344653 975446256 /nfs/dbraw/zinc/44/62/56/975446256.db2.gz ZIRFHJWZMNJKIJ-PXNSSMCTSA-N 1 3 361.530 2.959 20 0 FFADHO CC(C)(C)[NH2+]CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662468345 975584736 /nfs/dbraw/zinc/58/47/36/975584736.db2.gz SJUCWZFCIMPYKN-FQEVSTJZSA-N 1 3 369.509 2.640 20 0 FFADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662557022 975701405 /nfs/dbraw/zinc/70/14/05/975701405.db2.gz ZCTZIQBRORFEEM-ZVDOUQERSA-N 1 3 367.493 2.522 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001027892930 975736187 /nfs/dbraw/zinc/73/61/87/975736187.db2.gz HUWHEFFPNBAIGB-HSALFYBXSA-N 1 3 361.505 2.967 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(CF)cc2)CC[N@H+]1C ZINC001027892930 975736194 /nfs/dbraw/zinc/73/61/94/975736194.db2.gz HUWHEFFPNBAIGB-HSALFYBXSA-N 1 3 361.505 2.967 20 0 FFADHO CCc1ccc([C@H](CNC(=O)c2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000662663926 975800755 /nfs/dbraw/zinc/80/07/55/975800755.db2.gz PWMZFSHCFKRVLM-NRFANRHFSA-N 1 3 351.494 2.927 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CCc1cccs1 ZINC001088768727 976062389 /nfs/dbraw/zinc/06/23/89/976062389.db2.gz AUXNRVACVAQQEZ-AYOQOUSVSA-N 1 3 361.555 2.744 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CCc1cccs1 ZINC001088768727 976062404 /nfs/dbraw/zinc/06/24/04/976062404.db2.gz AUXNRVACVAQQEZ-AYOQOUSVSA-N 1 3 361.555 2.744 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CCc1ccccc1 ZINC001088769201 976064889 /nfs/dbraw/zinc/06/48/89/976064889.db2.gz WZSSBRLCPUIJEQ-QMMLZNLJSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CCc1ccccc1 ZINC001088769201 976064899 /nfs/dbraw/zinc/06/48/99/976064899.db2.gz WZSSBRLCPUIJEQ-QMMLZNLJSA-N 1 3 355.526 2.683 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C)cc1 ZINC001088770424 976074500 /nfs/dbraw/zinc/07/45/00/976074500.db2.gz OCCFEDINUSGKOB-JRGCBEDISA-N 1 3 355.526 2.948 20 0 FFADHO C(=C\c1ccccc1)\CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663511343 976090592 /nfs/dbraw/zinc/09/05/92/976090592.db2.gz JIGQURSYIKSBID-KYLNKMBASA-N 1 3 351.498 2.712 20 0 FFADHO Cc1cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc(N2CCN(C(C)C)CC2)c1 ZINC000653347866 1014309201 /nfs/dbraw/zinc/30/92/01/1014309201.db2.gz SPJPJASZAKUVAK-RTWAWAEBSA-N 1 3 370.541 2.995 20 0 FFADHO CCc1ccc(CCN2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC000981196431 976322006 /nfs/dbraw/zinc/32/20/06/976322006.db2.gz DLEMYKCITIBCGA-WIYYLYMNSA-N 1 3 357.542 2.666 20 0 FFADHO CCc1ccc(CCN2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC000981196431 976322020 /nfs/dbraw/zinc/32/20/20/976322020.db2.gz DLEMYKCITIBCGA-WIYYLYMNSA-N 1 3 357.542 2.666 20 0 FFADHO CCN(C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCN(C)C1 ZINC000663579178 976361513 /nfs/dbraw/zinc/36/15/13/976361513.db2.gz AEASQTGYFUKREG-FQEVSTJZSA-N 1 3 358.530 2.695 20 0 FFADHO CCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC)[C@@H]1CCN(C)C1 ZINC000663621492 976475078 /nfs/dbraw/zinc/47/50/78/976475078.db2.gz DQKNKYKKLWMVTL-WOJBJXKFSA-N 1 3 360.546 2.675 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1c(C2CC2)cnn1C ZINC000667682935 976737557 /nfs/dbraw/zinc/73/75/57/976737557.db2.gz ALPBYOVPWSBWDK-UHFFFAOYSA-N 1 3 373.589 2.926 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)Nc2cnc3c(c2)CNCC3)[NH+](C)C)cc1 ZINC000667790929 977044115 /nfs/dbraw/zinc/04/41/15/977044115.db2.gz IAMQDXCCFUDXPL-HXUWFJFHSA-N 1 3 367.497 2.714 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667795536 977046674 /nfs/dbraw/zinc/04/66/74/977046674.db2.gz GMAGYWOEBOQFTB-UHFFFAOYSA-N 1 3 367.497 2.843 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cccnc2)C1 ZINC001211713841 977387387 /nfs/dbraw/zinc/38/73/87/977387387.db2.gz VVAVVVJAPSEOMW-LEWJYISDSA-N 1 3 366.509 2.508 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)[C@@H]1c1ccccc1 ZINC000893878392 977579532 /nfs/dbraw/zinc/57/95/32/977579532.db2.gz QPUVVIIZNAXUNZ-PMACEKPBSA-N 1 3 356.514 2.748 20 0 FFADHO CC(C)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001087464797 978310819 /nfs/dbraw/zinc/31/08/19/978310819.db2.gz FEOCZONYSDJQRI-HUYLIWGRSA-N 1 3 361.505 2.848 20 0 FFADHO CC(C)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087464797 978310825 /nfs/dbraw/zinc/31/08/25/978310825.db2.gz FEOCZONYSDJQRI-HUYLIWGRSA-N 1 3 361.505 2.848 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cc(F)ccc1F ZINC000664203982 978347333 /nfs/dbraw/zinc/34/73/33/978347333.db2.gz BMZCORAFTMZHDW-KSSFIOAISA-N 1 3 370.488 2.987 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cc(F)ccc1F ZINC000664203982 978347340 /nfs/dbraw/zinc/34/73/40/978347340.db2.gz BMZCORAFTMZHDW-KSSFIOAISA-N 1 3 370.488 2.987 20 0 FFADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000796427187 1014528852 /nfs/dbraw/zinc/52/88/52/1014528852.db2.gz BQCHUMFNXPTERX-ZWKOTPCHSA-N 1 3 367.484 2.846 20 0 FFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1ccccc1CC1CC[NH2+]CC1 ZINC000877344419 1014556282 /nfs/dbraw/zinc/55/62/82/1014556282.db2.gz YSCSLGCVVUQIFY-NRFANRHFSA-N 1 3 363.505 2.673 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001076242760 979273816 /nfs/dbraw/zinc/27/38/16/979273816.db2.gz QOSXTOIVNMXAHL-FFZOFVMBSA-N 1 3 359.489 2.531 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001076242760 979273820 /nfs/dbraw/zinc/27/38/20/979273820.db2.gz QOSXTOIVNMXAHL-FFZOFVMBSA-N 1 3 359.489 2.531 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CCC5)cc4)C[C@H]32)C1 ZINC001076567741 979666221 /nfs/dbraw/zinc/66/62/21/979666221.db2.gz HELZFJKJQYASRF-BHDDXSALSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CCC5)cc4)C[C@H]32)C1 ZINC001076567741 979666224 /nfs/dbraw/zinc/66/62/24/979666224.db2.gz HELZFJKJQYASRF-BHDDXSALSA-N 1 3 367.537 2.939 20 0 FFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(CN(C)C)c4)[C@@H]3C2)C1 ZINC001076603896 979695493 /nfs/dbraw/zinc/69/54/93/979695493.db2.gz BPOBMQHSZLJJNU-LNHIOMRXSA-N 1 3 355.526 2.941 20 0 FFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)c4cccc(CN(C)C)c4)[C@@H]3C2)C1 ZINC001076603896 979695498 /nfs/dbraw/zinc/69/54/98/979695498.db2.gz BPOBMQHSZLJJNU-LNHIOMRXSA-N 1 3 355.526 2.941 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000877747379 1014705985 /nfs/dbraw/zinc/70/59/85/1014705985.db2.gz JBBPSJFLFHFKBV-UHFFFAOYSA-N 1 3 353.514 2.597 20 0 FFADHO CC[C@H]1CN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC[C@H]1[NH3+] ZINC000666676677 981206982 /nfs/dbraw/zinc/20/69/82/981206982.db2.gz UHHHQUCOGQGDIK-PKOBYXMFSA-N 1 3 373.545 2.728 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOc3ccccc3C)[C@@H]2C)CC[N@@H+]1C ZINC001088579329 981290842 /nfs/dbraw/zinc/29/08/42/981290842.db2.gz ASFDDYCNOQRTSG-FUMNGEBKSA-N 1 3 373.541 2.683 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOc3ccccc3C)[C@@H]2C)CC[N@H+]1C ZINC001088579329 981290847 /nfs/dbraw/zinc/29/08/47/981290847.db2.gz ASFDDYCNOQRTSG-FUMNGEBKSA-N 1 3 373.541 2.683 20 0 FFADHO O=C1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CN1Cc1ccccc1Cl ZINC001168372480 981612038 /nfs/dbraw/zinc/61/20/38/981612038.db2.gz YNDOURPZWGLYOF-SFHVURJKSA-N 1 3 361.917 2.905 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(OC)c1OC ZINC000650721770 1014750534 /nfs/dbraw/zinc/75/05/34/1014750534.db2.gz ATRIDBFRADMMFM-LZLYRXPVSA-N 1 3 364.486 2.573 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654657469 1014824218 /nfs/dbraw/zinc/82/42/18/1014824218.db2.gz IEYZYXKNPMDIDG-PUZFROQSSA-N 1 3 358.530 2.553 20 0 FFADHO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000655769818 982765540 /nfs/dbraw/zinc/76/55/40/982765540.db2.gz PJHOSFRLAQONPY-UHFFFAOYSA-N 1 3 355.530 2.605 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1cccc(OC)c1 ZINC000668899909 983916957 /nfs/dbraw/zinc/91/69/57/983916957.db2.gz LHGDWDRLOLNPPA-SFHVURJKSA-N 1 3 362.518 2.601 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cc(F)cc(F)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827188 984141299 /nfs/dbraw/zinc/14/12/99/984141299.db2.gz SGOWFCWEBQTDKO-XWIAVFTESA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cc(F)cc(F)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995827188 984141303 /nfs/dbraw/zinc/14/13/03/984141303.db2.gz SGOWFCWEBQTDKO-XWIAVFTESA-N 1 3 365.468 2.632 20 0 FFADHO C[C@H](CN)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168530413 984290069 /nfs/dbraw/zinc/29/00/69/984290069.db2.gz SWYHSKQEJREENU-FRRDWIJNSA-N 1 3 353.429 2.843 20 0 FFADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168530413 984290071 /nfs/dbraw/zinc/29/00/71/984290071.db2.gz SWYHSKQEJREENU-FRRDWIJNSA-N 1 3 353.429 2.843 20 0 FFADHO c1cncc(O[C@H]2CN(C3CC[NH+](CC4CC4)CC3)[C@H]3CCCO[C@H]23)c1 ZINC001168377261 984300782 /nfs/dbraw/zinc/30/07/82/984300782.db2.gz AWVNPMAPEQQISU-ACRUOGEOSA-N 1 3 357.498 2.567 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000157111025 984457609 /nfs/dbraw/zinc/45/76/09/984457609.db2.gz CYXJAEIMMFIDAY-WOJBJXKFSA-N 1 3 355.526 2.984 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000157111025 984457610 /nfs/dbraw/zinc/45/76/10/984457610.db2.gz CYXJAEIMMFIDAY-WOJBJXKFSA-N 1 3 355.526 2.984 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436824 984537830 /nfs/dbraw/zinc/53/78/30/984537830.db2.gz SDWXXGCNFJIRNO-UYAOXDASSA-N 1 3 365.562 2.648 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436824 984537834 /nfs/dbraw/zinc/53/78/34/984537834.db2.gz SDWXXGCNFJIRNO-UYAOXDASSA-N 1 3 365.562 2.648 20 0 FFADHO Cc1ccncc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438487 984538621 /nfs/dbraw/zinc/53/86/21/984538621.db2.gz BLCMONRMEFPEGN-KCZVDYSFSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1ccncc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438487 984538624 /nfs/dbraw/zinc/53/86/24/984538624.db2.gz BLCMONRMEFPEGN-KCZVDYSFSA-N 1 3 370.541 2.591 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107442366 984543896 /nfs/dbraw/zinc/54/38/96/984543896.db2.gz DFESREACOZQCBS-KCZVDYSFSA-N 1 3 370.541 2.817 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107442366 984543899 /nfs/dbraw/zinc/54/38/99/984543899.db2.gz DFESREACOZQCBS-KCZVDYSFSA-N 1 3 370.541 2.817 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@H]1CCOC1)CC2 ZINC001107454410 984559058 /nfs/dbraw/zinc/55/90/58/984559058.db2.gz GUVCISIZVXDEOY-WAOWUJCRSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@H]1CCOC1)CC2 ZINC001107454410 984559062 /nfs/dbraw/zinc/55/90/62/984559062.db2.gz GUVCISIZVXDEOY-WAOWUJCRSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CCCCO1)CC2 ZINC001107454906 984560067 /nfs/dbraw/zinc/56/00/67/984560067.db2.gz PMPUMYINDVSPMD-DBXWQHBBSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H]1CCCCO1)CC2 ZINC001107454906 984560073 /nfs/dbraw/zinc/56/00/73/984560073.db2.gz PMPUMYINDVSPMD-DBXWQHBBSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)N2CCCC2)cc1 ZINC000669427472 984573487 /nfs/dbraw/zinc/57/34/87/984573487.db2.gz KFILXGKKFZIUFH-HOJAQTOUSA-N 1 3 356.514 2.525 20 0 FFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2)N1CCCC1 ZINC001107495755 984597144 /nfs/dbraw/zinc/59/71/44/984597144.db2.gz VMXOSUBOPGWJDZ-DENIHFKCSA-N 1 3 370.541 2.817 20 0 FFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2)N1CCCC1 ZINC001107495755 984597148 /nfs/dbraw/zinc/59/71/48/984597148.db2.gz VMXOSUBOPGWJDZ-DENIHFKCSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669483520 984648167 /nfs/dbraw/zinc/64/81/67/984648167.db2.gz AJMBBSOPOHUXPE-NCYKPQTJSA-N 1 3 370.541 2.901 20 0 FFADHO O=C(CC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107644747 984911868 /nfs/dbraw/zinc/91/18/68/984911868.db2.gz GJVIECUSNCSYPA-PPJOAQQTSA-N 1 3 353.938 2.976 20 0 FFADHO O=C(CCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107643479 984926593 /nfs/dbraw/zinc/92/65/93/984926593.db2.gz KWPVRFYDMCBFPO-IFMALSPDSA-N 1 3 370.541 2.818 20 0 FFADHO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000765096210 984961881 /nfs/dbraw/zinc/96/18/81/984961881.db2.gz WKCPGLBBRRYABL-UNMCSNQZSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1C[C@H]1CCCCO1 ZINC001089061108 986145125 /nfs/dbraw/zinc/14/51/25/986145125.db2.gz YDTFPYOYUYSFPK-POAQFYNOSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1C[C@H]1CCCCO1 ZINC001089061108 986145131 /nfs/dbraw/zinc/14/51/31/986145131.db2.gz YDTFPYOYUYSFPK-POAQFYNOSA-N 1 3 359.514 2.510 20 0 FFADHO CC(C)c1cccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998794545 986255558 /nfs/dbraw/zinc/25/55/58/986255558.db2.gz ARMURGCNZLLRPW-JYPHPWERSA-N 1 3 358.530 2.624 20 0 FFADHO CC(C)c1cccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000998794545 986255569 /nfs/dbraw/zinc/25/55/69/986255569.db2.gz ARMURGCNZLLRPW-JYPHPWERSA-N 1 3 358.530 2.624 20 0 FFADHO CCc1ccccc1CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007376939 1015210111 /nfs/dbraw/zinc/21/01/11/1015210111.db2.gz OTGFBTNSTRIXML-DUXKGJEZSA-N 1 3 357.542 2.712 20 0 FFADHO CCc1ccccc1CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007376939 1015210117 /nfs/dbraw/zinc/21/01/17/1015210117.db2.gz OTGFBTNSTRIXML-DUXKGJEZSA-N 1 3 357.542 2.712 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001007377463 1015212288 /nfs/dbraw/zinc/21/22/88/1015212288.db2.gz VGBVTPWXRJNFET-ATZDWAIDSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001007377463 1015212291 /nfs/dbraw/zinc/21/22/91/1015212291.db2.gz VGBVTPWXRJNFET-ATZDWAIDSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)CCN1Cc1ccccc1 ZINC000379629149 986391764 /nfs/dbraw/zinc/39/17/64/986391764.db2.gz OFRPHNHUBLGOGO-PKOBYXMFSA-N 1 3 362.477 2.837 20 0 FFADHO O=C(c1ccc(F)cc1)[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733441 986832439 /nfs/dbraw/zinc/83/24/39/986832439.db2.gz KIJCEGUOVIBHNW-HKUYNNGSSA-N 1 3 360.473 2.879 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106211104 987671224 /nfs/dbraw/zinc/67/12/24/987671224.db2.gz QSBRRVJAUWBUCX-SWLWZWPXSA-N 1 3 362.345 2.864 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106211104 987671226 /nfs/dbraw/zinc/67/12/26/987671226.db2.gz QSBRRVJAUWBUCX-SWLWZWPXSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001106246379 987750902 /nfs/dbraw/zinc/75/09/02/987750902.db2.gz LQLVUNSKCQXUTI-SJLPKXTDSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001106246816 987751856 /nfs/dbraw/zinc/75/18/56/987751856.db2.gz QOOMYADGIQEGNH-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168704725 987829842 /nfs/dbraw/zinc/82/98/42/987829842.db2.gz OYJPBUWFKRVAJH-CZUORRHYSA-N 1 3 353.894 2.987 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000673235689 987896203 /nfs/dbraw/zinc/89/62/03/987896203.db2.gz GKPIHUXHIFYBLY-SXLOBPIMSA-N 1 3 358.530 2.821 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNCc2nc(C)sc2C)[C@H](C)C1 ZINC001106340198 987984172 /nfs/dbraw/zinc/98/41/72/987984172.db2.gz OYJKDVBHGITBIC-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](CNCc2nc(C)sc2C)[C@H](C)C1 ZINC001106340198 987984178 /nfs/dbraw/zinc/98/41/78/987984178.db2.gz OYJKDVBHGITBIC-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[NH+](CC)CC)cc2)CC1 ZINC000915320985 988431165 /nfs/dbraw/zinc/43/11/65/988431165.db2.gz ILYABMBGVXPBGH-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC000922389711 988538120 /nfs/dbraw/zinc/53/81/20/988538120.db2.gz VSBNSVFRWCAGGZ-NXLVEIQXSA-N 1 3 366.509 2.713 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC000922389711 988538128 /nfs/dbraw/zinc/53/81/28/988538128.db2.gz VSBNSVFRWCAGGZ-NXLVEIQXSA-N 1 3 366.509 2.713 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000922390792 988547641 /nfs/dbraw/zinc/54/76/41/988547641.db2.gz OWFZQFOFFYQIGY-YJMBLLCNSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000922390792 988547652 /nfs/dbraw/zinc/54/76/52/988547652.db2.gz OWFZQFOFFYQIGY-YJMBLLCNSA-N 1 3 368.525 2.750 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@H]1C(C)C ZINC000922392381 988553551 /nfs/dbraw/zinc/55/35/51/988553551.db2.gz DGNRBRULXIMQPR-VMBXEPDQSA-N 1 3 369.509 2.900 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@H]1C(C)C ZINC000922392381 988553561 /nfs/dbraw/zinc/55/35/61/988553561.db2.gz DGNRBRULXIMQPR-VMBXEPDQSA-N 1 3 369.509 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCc1cccs1 ZINC001106672536 988622982 /nfs/dbraw/zinc/62/29/82/988622982.db2.gz BXSOXNXHAOGDLA-IAGOWNOFSA-N 1 3 365.587 2.953 20 0 FFADHO CN(C)c1ccnc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000922481398 988624218 /nfs/dbraw/zinc/62/42/18/988624218.db2.gz BAYGHKSYEQFPRC-UHFFFAOYSA-N 1 3 367.541 2.968 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4ncccc4c3)C2)CC[N@@H+]1C ZINC001033094990 988780748 /nfs/dbraw/zinc/78/07/48/988780748.db2.gz MTLXGOGZKXEPIG-LSTHTHJFSA-N 1 3 366.509 2.608 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4ncccc4c3)C2)CC[N@H+]1C ZINC001033094990 988780753 /nfs/dbraw/zinc/78/07/53/988780753.db2.gz MTLXGOGZKXEPIG-LSTHTHJFSA-N 1 3 366.509 2.608 20 0 FFADHO CN(C)CCn1nccc1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000922830835 988942695 /nfs/dbraw/zinc/94/26/95/988942695.db2.gz SGURSGDOSWUIED-UHFFFAOYSA-N 1 3 355.486 2.683 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000651992689 1015433737 /nfs/dbraw/zinc/43/37/37/1015433737.db2.gz YDSKEPTXEWKEFE-NPDDRXJXSA-N 1 3 367.537 2.888 20 0 FFADHO COCC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001168499795 988949373 /nfs/dbraw/zinc/94/93/73/988949373.db2.gz YLFWTLNGUJLOQL-SJORKVTESA-N 1 3 362.436 2.931 20 0 FFADHO COCC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001168499795 988949378 /nfs/dbraw/zinc/94/93/78/988949378.db2.gz YLFWTLNGUJLOQL-SJORKVTESA-N 1 3 362.436 2.931 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2Cl)[C@H](C)C1 ZINC001106778271 989032136 /nfs/dbraw/zinc/03/21/36/989032136.db2.gz BNCJHWNZMKYJRR-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC001106785017 989056713 /nfs/dbraw/zinc/05/67/13/989056713.db2.gz SMQLOBWZKHGUHI-GDBMZVCRSA-N 1 3 367.921 2.572 20 0 FFADHO C[C@H]1C[C@@H](NCc2ccc(CC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000674335915 989663777 /nfs/dbraw/zinc/66/37/77/989663777.db2.gz SKQLOEUOOGODAS-UWJYYQICSA-N 1 3 351.494 2.857 20 0 FFADHO C[C@H]1C[C@@H](NCc2ccc(CC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000674335915 989663781 /nfs/dbraw/zinc/66/37/81/989663781.db2.gz SKQLOEUOOGODAS-UWJYYQICSA-N 1 3 351.494 2.857 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN(C(C)(C)CO)CC3)c2cc1OCC ZINC000674337520 989665407 /nfs/dbraw/zinc/66/54/07/989665407.db2.gz LIRGCEORSMJDPU-UHFFFAOYSA-N 1 3 373.497 2.925 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CN1C1CC1 ZINC000674707657 989890336 /nfs/dbraw/zinc/89/03/36/989890336.db2.gz NNWRSHHRMCOLAT-PKOBYXMFSA-N 1 3 362.562 2.909 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN2C(C)C)s1 ZINC001085196719 989913300 /nfs/dbraw/zinc/91/33/00/989913300.db2.gz KYEGIOJCDJVKLL-KZNAEPCWSA-N 1 3 364.559 2.841 20 0 FFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346329 1015533984 /nfs/dbraw/zinc/53/39/84/1015533984.db2.gz YYSUEKTXKDLUEN-BOFXEDATSA-N 1 3 371.525 2.573 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000675824899 990391292 /nfs/dbraw/zinc/39/12/92/990391292.db2.gz JVOLYJSXGXKZHA-ACRUOGEOSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000675824899 990391299 /nfs/dbraw/zinc/39/12/99/990391299.db2.gz JVOLYJSXGXKZHA-ACRUOGEOSA-N 1 3 370.541 2.777 20 0 FFADHO COc1cccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000130195649 990492828 /nfs/dbraw/zinc/49/28/28/990492828.db2.gz WCQBDIPXBUZURR-UHFFFAOYSA-N 1 3 367.493 2.811 20 0 FFADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000676647427 990628804 /nfs/dbraw/zinc/62/88/04/990628804.db2.gz AOMVMLQVMPGDKH-IRXDYDNUSA-N 1 3 373.545 2.637 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106898309 990795957 /nfs/dbraw/zinc/79/59/57/990795957.db2.gz CTOLZBHBGQZOBR-XPWVWULPSA-N 1 3 350.334 2.721 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106898306 990796421 /nfs/dbraw/zinc/79/64/21/990796421.db2.gz CTOLZBHBGQZOBR-RNRBBCFGSA-N 1 3 350.334 2.721 20 0 FFADHO CCC[C@H](NC(=O)[C@@H](C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923456910 991152332 /nfs/dbraw/zinc/15/23/32/991152332.db2.gz RNJDAWQXOKBRJS-RLLQIKCJSA-N 1 3 373.541 2.862 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503713 991204485 /nfs/dbraw/zinc/20/44/85/991204485.db2.gz LVGIPVIVWXNDIJ-KURKYZTESA-N 1 3 358.530 2.921 20 0 FFADHO O[C@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000382172654 991875953 /nfs/dbraw/zinc/87/59/53/991875953.db2.gz QQOXRJKSHGBTIR-LEWJYISDSA-N 1 3 354.494 2.928 20 0 FFADHO O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000382172654 991875959 /nfs/dbraw/zinc/87/59/59/991875959.db2.gz QQOXRJKSHGBTIR-LEWJYISDSA-N 1 3 354.494 2.928 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)ccc1OC ZINC000182440144 992048293 /nfs/dbraw/zinc/04/82/93/992048293.db2.gz YRHDCRMDIJUXSK-QZTJIDSGSA-N 1 3 363.546 2.908 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC001080017801 992655220 /nfs/dbraw/zinc/65/52/20/992655220.db2.gz VTBNXNVIOAVXHE-HMXCVIKNSA-N 1 3 357.542 2.786 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C ZINC001080017801 992655224 /nfs/dbraw/zinc/65/52/24/992655224.db2.gz VTBNXNVIOAVXHE-HMXCVIKNSA-N 1 3 357.542 2.786 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001152206772 1032126301 /nfs/dbraw/zinc/12/63/01/1032126301.db2.gz RMTYQDQPDCXLHV-IPMKNSEASA-N 1 3 352.482 2.678 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC001107042397 993296539 /nfs/dbraw/zinc/29/65/39/993296539.db2.gz KPRMAHUPJOFVQL-VQIMIIECSA-N 1 3 356.514 2.692 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001152206772 1032126327 /nfs/dbraw/zinc/12/63/27/1032126327.db2.gz RMTYQDQPDCXLHV-IPMKNSEASA-N 1 3 352.482 2.678 20 0 FFADHO Cc1cc2oc(=O)cc(CN(C)CCC[N@@H+](C)CCN(C)C)c2cc1C ZINC000808781456 994259660 /nfs/dbraw/zinc/25/96/60/994259660.db2.gz HGGZFFAOCAGEJU-UHFFFAOYSA-N 1 3 359.514 2.725 20 0 FFADHO Cc1cc2oc(=O)cc(CN(C)CCC[N@H+](C)CCN(C)C)c2cc1C ZINC000808781456 994259672 /nfs/dbraw/zinc/25/96/72/994259672.db2.gz HGGZFFAOCAGEJU-UHFFFAOYSA-N 1 3 359.514 2.725 20 0 FFADHO CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001131564332 994404090 /nfs/dbraw/zinc/40/40/90/994404090.db2.gz IBYWUZVABZASBK-QUCCMNQESA-N 1 3 365.562 2.504 20 0 FFADHO CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001131584693 994431295 /nfs/dbraw/zinc/43/12/95/994431295.db2.gz BQQICZJUQAKBCR-CTNGQTDRSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000880569612 1015874605 /nfs/dbraw/zinc/87/46/05/1015874605.db2.gz MPXJICRNGQEPPL-NRFANRHFSA-N 1 3 355.530 2.630 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccccc1OC1CC1 ZINC001082560106 994935450 /nfs/dbraw/zinc/93/54/50/994935450.db2.gz ZPBVVLFRGCKCFN-QFIXIFRTSA-N 1 3 371.525 2.505 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2Cl)C1)N(C)C ZINC001082575538 994998134 /nfs/dbraw/zinc/99/81/34/994998134.db2.gz LVJXJXFEKCCDIF-LZQZEXGQSA-N 1 3 365.949 2.905 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495865 1015932419 /nfs/dbraw/zinc/93/24/19/1015932419.db2.gz APKSXKDURVUUHN-ZTFGCOKTSA-N 1 3 369.513 2.733 20 0 FFADHO O=C(OCCC[NH+]1CCCCC1)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000747758891 995318454 /nfs/dbraw/zinc/31/84/54/995318454.db2.gz ROSOMZIRJDOPHA-OAHLLOKOSA-N 1 3 366.408 2.737 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3ccc(F)cc3Cl)C2)C1 ZINC001082742081 995399123 /nfs/dbraw/zinc/39/91/23/995399123.db2.gz QJWPGHGULZIWEB-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3ccc(F)cc3Cl)C2)C1 ZINC001082742081 995399129 /nfs/dbraw/zinc/39/91/29/995399129.db2.gz QJWPGHGULZIWEB-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)c1 ZINC001082743722 995403593 /nfs/dbraw/zinc/40/35/93/995403593.db2.gz XHBBASZTPZAFDD-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccccn2)C1)[NH+]1CCCCC1 ZINC001082943709 995882834 /nfs/dbraw/zinc/88/28/34/995882834.db2.gz YCQHXOWGOXYLMJ-MISYRCLQSA-N 1 3 358.530 2.529 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21 ZINC001084545774 996666339 /nfs/dbraw/zinc/66/63/39/996666339.db2.gz XZMTXIFCOZDMMC-NJYVYQBISA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001084545774 996666341 /nfs/dbraw/zinc/66/63/41/996666341.db2.gz XZMTXIFCOZDMMC-NJYVYQBISA-N 1 3 359.558 2.974 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000824081426 996791426 /nfs/dbraw/zinc/79/14/26/996791426.db2.gz WHWNDHDDJYWDEE-GHTZIAJQSA-N 1 3 374.525 2.594 20 0 FFADHO O=C1CCC2=C(CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)N1 ZINC000826779795 1016064755 /nfs/dbraw/zinc/06/47/55/1016064755.db2.gz DDVQYULTBCBISS-UHFFFAOYSA-N 1 3 355.482 2.531 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090880909 997597878 /nfs/dbraw/zinc/59/78/78/997597878.db2.gz PZDRVXZNMKQUSO-XUVXKRRUSA-N 1 3 361.530 2.575 20 0 FFADHO COC(=O)c1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000903751737 1016174565 /nfs/dbraw/zinc/17/45/65/1016174565.db2.gz MRCVDMLXIMMVOT-BEFAXECRSA-N 1 3 353.466 2.985 20 0 FFADHO COC(=O)c1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000903751740 1016174756 /nfs/dbraw/zinc/17/47/56/1016174756.db2.gz MRCVDMLXIMMVOT-KXBFYZLASA-N 1 3 353.466 2.985 20 0 FFADHO CCc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc(CC)c1O ZINC001144150117 998065382 /nfs/dbraw/zinc/06/53/82/998065382.db2.gz UMDVDPOGAVYHSA-UHFFFAOYSA-N 1 3 359.558 2.976 20 0 FFADHO Cc1cc(Br)cc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001144216901 998147956 /nfs/dbraw/zinc/14/79/56/998147956.db2.gz YLYUEGIYYVNCFA-ZWKOTPCHSA-N 1 3 366.347 2.968 20 0 FFADHO Cc1cccc(Cl)c1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091037577 998291169 /nfs/dbraw/zinc/29/11/69/998291169.db2.gz OHIYOVKEWWXKBZ-RDHHWEPZSA-N 1 3 363.933 2.973 20 0 FFADHO Cc1cccc(Cl)c1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001091037577 998291178 /nfs/dbraw/zinc/29/11/78/998291178.db2.gz OHIYOVKEWWXKBZ-RDHHWEPZSA-N 1 3 363.933 2.973 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)CC1 ZINC001085022098 998696111 /nfs/dbraw/zinc/69/61/11/998696111.db2.gz ATIHMUZXVBAVCG-CRZUHJALSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(CCc3ccc(O)cc3)CC2)cnn1C ZINC000903879012 1016282540 /nfs/dbraw/zinc/28/25/40/1016282540.db2.gz PKEXCPPMJUVIDI-HXUWFJFHSA-N 1 3 370.541 2.896 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1)N1CCCCC1 ZINC001085198310 999141975 /nfs/dbraw/zinc/14/19/75/999141975.db2.gz NAKPPSUBIPJGTN-IPMKNSEASA-N 1 3 365.562 2.695 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC001085217867 999185524 /nfs/dbraw/zinc/18/55/24/999185524.db2.gz VMQTXYUGKKPCBU-KURKYZTESA-N 1 3 364.559 2.577 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1ccccc1F)C12CCC[NH+]1CCC2 ZINC001085257981 999267466 /nfs/dbraw/zinc/26/74/66/999267466.db2.gz JZOCQIKSRTXXBP-RTBURBONSA-N 1 3 359.489 2.971 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1)N1CCCC1 ZINC001085295383 999312279 /nfs/dbraw/zinc/31/22/79/999312279.db2.gz DJNKWLUOXWCTSG-GUDVDZBRSA-N 1 3 365.562 2.837 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001085393861 999454481 /nfs/dbraw/zinc/45/44/81/999454481.db2.gz NBOUUHPMHQUQFR-KBAYOESNSA-N 1 3 364.559 2.619 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001085393861 999454483 /nfs/dbraw/zinc/45/44/83/999454483.db2.gz NBOUUHPMHQUQFR-KBAYOESNSA-N 1 3 364.559 2.619 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2sccc2Cl)C1 ZINC001085421912 999496498 /nfs/dbraw/zinc/49/64/98/999496498.db2.gz AXASJGLBXXZHKH-BPLDGKMQSA-N 1 3 355.935 2.870 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2sccc2Cl)C1 ZINC001085421912 999496499 /nfs/dbraw/zinc/49/64/99/999496499.db2.gz AXASJGLBXXZHKH-BPLDGKMQSA-N 1 3 355.935 2.870 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001085431943 999515635 /nfs/dbraw/zinc/51/56/35/999515635.db2.gz ANODJNPCXUOHFW-WOJBJXKFSA-N 1 3 370.497 2.875 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC2CCC2)c1 ZINC001096604879 1016341107 /nfs/dbraw/zinc/34/11/07/1016341107.db2.gz SILUWXQCRJVNRH-GIVPXCGWSA-N 1 3 371.525 2.652 20 0 FFADHO CC[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2)OC ZINC001096604026 1016341560 /nfs/dbraw/zinc/34/15/60/1016341560.db2.gz FDGVVKZCSITQDM-ZRNYENFQSA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2)OC ZINC001096604026 1016341569 /nfs/dbraw/zinc/34/15/69/1016341569.db2.gz FDGVVKZCSITQDM-ZRNYENFQSA-N 1 3 359.514 2.508 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+](CC)CC)C3)cc2)CC1 ZINC000743077647 999797516 /nfs/dbraw/zinc/79/75/16/999797516.db2.gz DSPMFUFETHLQBA-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO Cc1ncc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1-c1ccccc1 ZINC000903980310 1016356774 /nfs/dbraw/zinc/35/67/74/1016356774.db2.gz OOXJAEPRQULEHH-OYRHEFFESA-N 1 3 365.525 2.581 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC001086371378 999876233 /nfs/dbraw/zinc/87/62/33/999876233.db2.gz FWWDGBSNDYLYQA-RRCSTGOVSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC001086371378 999876235 /nfs/dbraw/zinc/87/62/35/999876235.db2.gz FWWDGBSNDYLYQA-RRCSTGOVSA-N 1 3 367.896 2.804 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C1)C2 ZINC001169135487 1000024129 /nfs/dbraw/zinc/02/41/29/1000024129.db2.gz YJLVRMYWXIKAJC-AHJNKEMKSA-N 1 3 371.525 2.847 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C1)C2 ZINC001169135487 1000024130 /nfs/dbraw/zinc/02/41/30/1000024130.db2.gz YJLVRMYWXIKAJC-AHJNKEMKSA-N 1 3 371.525 2.847 20 0 FFADHO CC(=O)N1CCC[C@@H]([NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)C1 ZINC001169605955 1000061723 /nfs/dbraw/zinc/06/17/23/1000061723.db2.gz NHEAGWUWZUWLDY-QUCCMNQESA-N 1 3 359.514 2.967 20 0 FFADHO CSc1ccc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)s1 ZINC001276146080 1016405004 /nfs/dbraw/zinc/40/50/04/1016405004.db2.gz MQMZNNLKJGRGSS-UHFFFAOYSA-N 1 3 367.584 2.846 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399347 1000383295 /nfs/dbraw/zinc/38/32/95/1000383295.db2.gz HFHLMJDMRWKBLO-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399347 1000383300 /nfs/dbraw/zinc/38/33/00/1000383300.db2.gz HFHLMJDMRWKBLO-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)CC1 ZINC001109649781 1000779100 /nfs/dbraw/zinc/77/91/00/1000779100.db2.gz DCOJLLOWDWCWHN-SQNIBIBYSA-N 1 3 361.555 2.744 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001091736838 1001181158 /nfs/dbraw/zinc/18/11/58/1001181158.db2.gz FKKUXQSOALCHIX-URVUXULASA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001091736838 1001181162 /nfs/dbraw/zinc/18/11/62/1001181162.db2.gz FKKUXQSOALCHIX-URVUXULASA-N 1 3 370.541 2.625 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3C)cc2)CC1 ZINC001149010971 1001245178 /nfs/dbraw/zinc/24/51/78/1001245178.db2.gz ICDYKXUFXRCFSV-GHTZIAJQSA-N 1 3 372.557 2.677 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C(C)C)C[C@@H]3C)cc2)CC1 ZINC001149010971 1001245181 /nfs/dbraw/zinc/24/51/81/1001245181.db2.gz ICDYKXUFXRCFSV-GHTZIAJQSA-N 1 3 372.557 2.677 20 0 FFADHO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)CN2CCCC2)CC1 ZINC000772378627 1001380057 /nfs/dbraw/zinc/38/00/57/1001380057.db2.gz NQCWEROAPVNMLC-SFHVURJKSA-N 1 3 356.514 2.692 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)COC)C1 ZINC001112547368 1001451418 /nfs/dbraw/zinc/45/14/18/1001451418.db2.gz LTKFHGQWGXBLJH-DYXWJJEUSA-N 1 3 367.578 2.752 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001092011159 1002279075 /nfs/dbraw/zinc/27/90/75/1002279075.db2.gz QZXRZXQAXSIHMO-BLIXFSHQSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001092011159 1002279083 /nfs/dbraw/zinc/27/90/83/1002279083.db2.gz QZXRZXQAXSIHMO-BLIXFSHQSA-N 1 3 359.489 2.590 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@]2(C)C1)N(C)C ZINC001092022348 1002301544 /nfs/dbraw/zinc/30/15/44/1002301544.db2.gz SXDCYLNUMKVTBH-URVUXULASA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@]2(C)C1)N(C)C ZINC001092022348 1002301550 /nfs/dbraw/zinc/30/15/50/1002301550.db2.gz SXDCYLNUMKVTBH-URVUXULASA-N 1 3 357.542 2.924 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001092049950 1002319572 /nfs/dbraw/zinc/31/95/72/1002319572.db2.gz KOBIEEIUYLKFBP-KNQAVFIVSA-N 1 3 364.493 2.810 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001092049950 1002319580 /nfs/dbraw/zinc/31/95/80/1002319580.db2.gz KOBIEEIUYLKFBP-KNQAVFIVSA-N 1 3 364.493 2.810 20 0 FFADHO CCCC[C@H](CNCc1scnc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001276256757 1016631133 /nfs/dbraw/zinc/63/11/33/1016631133.db2.gz YGOJFWIFOJRKJL-BZUAXINKSA-N 1 3 352.548 2.556 20 0 FFADHO CCCC[C@H](CNCc1scnc1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001276256757 1016631145 /nfs/dbraw/zinc/63/11/45/1016631145.db2.gz YGOJFWIFOJRKJL-BZUAXINKSA-N 1 3 352.548 2.556 20 0 FFADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)C[C@H]2C1 ZINC001184400881 1002589771 /nfs/dbraw/zinc/58/97/71/1002589771.db2.gz DKKOIZTYQRLVMX-OKZBNKHCSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)C[C@H]2C1 ZINC001184400881 1002589777 /nfs/dbraw/zinc/58/97/77/1002589777.db2.gz DKKOIZTYQRLVMX-OKZBNKHCSA-N 1 3 361.917 2.572 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300275 1002627706 /nfs/dbraw/zinc/62/77/06/1002627706.db2.gz UOBZPNHOVHWPOP-KNQAVFIVSA-N 1 3 370.541 2.546 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001092602790 1003209085 /nfs/dbraw/zinc/20/90/85/1003209085.db2.gz OJAPRXUKPFPHIR-YVWKXTFCSA-N 1 3 361.505 2.883 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001092602790 1003209090 /nfs/dbraw/zinc/20/90/90/1003209090.db2.gz OJAPRXUKPFPHIR-YVWKXTFCSA-N 1 3 361.505 2.883 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001092602789 1003209822 /nfs/dbraw/zinc/20/98/22/1003209822.db2.gz OJAPRXUKPFPHIR-POAQFYNOSA-N 1 3 361.505 2.883 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001092602789 1003209825 /nfs/dbraw/zinc/20/98/25/1003209825.db2.gz OJAPRXUKPFPHIR-POAQFYNOSA-N 1 3 361.505 2.883 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001186189297 1003211856 /nfs/dbraw/zinc/21/18/56/1003211856.db2.gz MECPESQTXMRLJB-RLLQIKCJSA-N 1 3 361.505 2.708 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001186189297 1003211864 /nfs/dbraw/zinc/21/18/64/1003211864.db2.gz MECPESQTXMRLJB-RLLQIKCJSA-N 1 3 361.505 2.708 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001130124637 1003971247 /nfs/dbraw/zinc/97/12/47/1003971247.db2.gz IWUOKXSCLMKWDK-DXIQSLLYSA-N 1 3 373.516 2.932 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001130124637 1003971254 /nfs/dbraw/zinc/97/12/54/1003971254.db2.gz IWUOKXSCLMKWDK-DXIQSLLYSA-N 1 3 373.516 2.932 20 0 FFADHO CN(C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171113 1004075193 /nfs/dbraw/zinc/07/51/93/1004075193.db2.gz UGLFNIJEDOBEBT-LNLFQRSKSA-N 1 3 365.468 2.520 20 0 FFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001197929248 1004412859 /nfs/dbraw/zinc/41/28/59/1004412859.db2.gz FRDOEPFGQFZPJM-INIZCTEOSA-N 1 3 360.502 2.849 20 0 FFADHO COc1ccncc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527755 1004635665 /nfs/dbraw/zinc/63/56/65/1004635665.db2.gz ALOMYIJHQWOFJN-UHFFFAOYSA-N 1 3 350.466 3.000 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cncc4nnoc43)c3ccccc23)CC1 ZINC001170528892 1004641009 /nfs/dbraw/zinc/64/10/09/1004641009.db2.gz UGWWWHVLFKACDW-UHFFFAOYSA-N 1 3 362.437 2.527 20 0 FFADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321020 1004704421 /nfs/dbraw/zinc/70/44/21/1004704421.db2.gz CYVRXJGMRFRQAA-YZBXUTEPSA-N 1 3 365.562 2.547 20 0 FFADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321020 1004704428 /nfs/dbraw/zinc/70/44/28/1004704428.db2.gz CYVRXJGMRFRQAA-YZBXUTEPSA-N 1 3 365.562 2.547 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000775930515 1004829239 /nfs/dbraw/zinc/82/92/39/1004829239.db2.gz SQDCDDPZRLILRR-LJQANCHMSA-N 1 3 359.514 2.528 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1)N1CCCCC1 ZINC001488911334 1005376008 /nfs/dbraw/zinc/37/60/08/1005376008.db2.gz DHIHPUUYJIWJMM-OTWHNJEPSA-N 1 3 365.562 2.695 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C1)C1CCC1 ZINC001488915443 1005376790 /nfs/dbraw/zinc/37/67/90/1005376790.db2.gz APXYILMWSFFPHZ-FXAWDEMLSA-N 1 3 371.525 2.576 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001110616334 1005763926 /nfs/dbraw/zinc/76/39/26/1005763926.db2.gz CJDVTCHMODZOJM-MKXGPGLRSA-N 1 3 365.537 2.968 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001110616334 1005763929 /nfs/dbraw/zinc/76/39/29/1005763929.db2.gz CJDVTCHMODZOJM-MKXGPGLRSA-N 1 3 365.537 2.968 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001110616990 1005764244 /nfs/dbraw/zinc/76/42/44/1005764244.db2.gz YFLXVPMXQUPEJV-DDBAPUKQSA-N 1 3 367.534 2.692 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001110616990 1005764246 /nfs/dbraw/zinc/76/42/46/1005764246.db2.gz YFLXVPMXQUPEJV-DDBAPUKQSA-N 1 3 367.534 2.692 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c(C)s1 ZINC001097080144 1017005965 /nfs/dbraw/zinc/00/59/65/1017005965.db2.gz UBSAQEIHOFEHNW-WCIQWLHISA-N 1 3 373.566 2.928 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC001086711885 1005961195 /nfs/dbraw/zinc/96/11/95/1005961195.db2.gz GFGXTECMZKZUQQ-NLWGTHIKSA-N 1 3 358.530 2.639 20 0 FFADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000813861337 1006058296 /nfs/dbraw/zinc/05/82/96/1006058296.db2.gz QXSYVMHDTKESSI-JXFKEZNVSA-N 1 3 359.514 2.682 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(NC4CC4)CCC3)cc2F)CC1 ZINC000852866339 1006213477 /nfs/dbraw/zinc/21/34/77/1006213477.db2.gz VTXZLMBTIINIOE-UHFFFAOYSA-N 1 3 374.504 2.969 20 0 FFADHO C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000853241492 1006346478 /nfs/dbraw/zinc/34/64/78/1006346478.db2.gz WCVUIBLKVGORHF-PMOQBDJRSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000853241492 1006346491 /nfs/dbraw/zinc/34/64/91/1006346491.db2.gz WCVUIBLKVGORHF-PMOQBDJRSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000747974649 1006418410 /nfs/dbraw/zinc/41/84/10/1006418410.db2.gz FVVJNKWLIYURPV-ROUUACIJSA-N 1 3 373.545 2.781 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(CCCCC(F)(F)F)C[C@H]32)CC1 ZINC001188962500 1006822608 /nfs/dbraw/zinc/82/26/08/1006822608.db2.gz BEWNTTYHYQYWSA-LSDHHAIUSA-N 1 3 361.452 2.594 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC2(CC1)OCCCO2 ZINC000816646147 1007147580 /nfs/dbraw/zinc/14/75/80/1007147580.db2.gz YPTYJOATIFWCGK-UHFFFAOYSA-N 1 3 360.498 2.890 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC001116240200 1032211057 /nfs/dbraw/zinc/21/10/57/1032211057.db2.gz ZFAKSHVGPZQPGI-AZUAARDMSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)cc1 ZINC001116240200 1032211069 /nfs/dbraw/zinc/21/10/69/1032211069.db2.gz ZFAKSHVGPZQPGI-AZUAARDMSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)s1 ZINC001086786371 1007387986 /nfs/dbraw/zinc/38/79/86/1007387986.db2.gz YLCVMSJMJVIXDG-QSPRXWTASA-N 1 3 364.559 2.556 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)s1 ZINC001086786371 1007387997 /nfs/dbraw/zinc/38/79/97/1007387997.db2.gz YLCVMSJMJVIXDG-QSPRXWTASA-N 1 3 364.559 2.556 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)c3cc(C)cc(C)c3)CC2)CC1 ZINC000817284765 1007508046 /nfs/dbraw/zinc/50/80/46/1007508046.db2.gz APWLWXVOYAPCNI-QFIPXVFZSA-N 1 3 359.558 2.829 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)c3cc(C)cc(C)c3)CC2)CC1 ZINC000817284765 1007508052 /nfs/dbraw/zinc/50/80/52/1007508052.db2.gz APWLWXVOYAPCNI-QFIPXVFZSA-N 1 3 359.558 2.829 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001190248023 1007539027 /nfs/dbraw/zinc/53/90/27/1007539027.db2.gz WQJJBVRNRAPGEO-KMSXPONXSA-N 1 3 355.526 2.963 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C/C=C/c3ccccc3)C2)CC[N@H+]1C ZINC001190248023 1007539036 /nfs/dbraw/zinc/53/90/36/1007539036.db2.gz WQJJBVRNRAPGEO-KMSXPONXSA-N 1 3 355.526 2.963 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001086820218 1007899793 /nfs/dbraw/zinc/89/97/93/1007899793.db2.gz UUNYZVHMNNDDEH-BBWFWOEESA-N 1 3 364.559 2.781 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001086820218 1007899802 /nfs/dbraw/zinc/89/98/02/1007899802.db2.gz UUNYZVHMNNDDEH-BBWFWOEESA-N 1 3 364.559 2.781 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CC[N@H+](CCCn3ccnc3C)C2)ccn1 ZINC000856585926 1007899942 /nfs/dbraw/zinc/89/99/42/1007899942.db2.gz NNDZGPFQHCBROX-FQEVSTJZSA-N 1 3 357.502 2.582 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CC[N@@H+](CCCn3ccnc3C)C2)ccn1 ZINC000856585926 1007899950 /nfs/dbraw/zinc/89/99/50/1007899950.db2.gz NNDZGPFQHCBROX-FQEVSTJZSA-N 1 3 357.502 2.582 20 0 FFADHO CC(C)OC(=O)CCN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856600023 1007909700 /nfs/dbraw/zinc/90/97/00/1007909700.db2.gz PQNWWIQUONIJJL-LJQANCHMSA-N 1 3 363.502 2.717 20 0 FFADHO CC(C)OC(=O)CCN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856600023 1007909705 /nfs/dbraw/zinc/90/97/05/1007909705.db2.gz PQNWWIQUONIJJL-LJQANCHMSA-N 1 3 363.502 2.717 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)c2ccccc2C)CC1 ZINC000818956930 1007993111 /nfs/dbraw/zinc/99/31/11/1007993111.db2.gz BZRPNGFHUYWRIG-QHCPKHFHSA-N 1 3 367.537 2.956 20 0 FFADHO CCNC(=O)N1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000820823858 1008377068 /nfs/dbraw/zinc/37/70/68/1008377068.db2.gz PSMGMVDBBUAIFQ-UDEWTMQYSA-N 1 3 370.541 2.966 20 0 FFADHO CCNC(=O)N1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000820823858 1008377071 /nfs/dbraw/zinc/37/70/71/1008377071.db2.gz PSMGMVDBBUAIFQ-UDEWTMQYSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CCN(C2CC2)C1 ZINC000820875215 1008387383 /nfs/dbraw/zinc/38/73/83/1008387383.db2.gz YXWWWCDMMTZMLG-GOSISDBHSA-N 1 3 373.541 2.502 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3C[C@@]34CCOC4)C2)ccn1 ZINC000886294762 1008624994 /nfs/dbraw/zinc/62/49/94/1008624994.db2.gz PAHVDJQDDJMDPQ-IOMROCGXSA-N 1 3 359.514 2.802 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3C[C@@]34CCOC4)C2)ccn1 ZINC000886294762 1008625008 /nfs/dbraw/zinc/62/50/08/1008625008.db2.gz PAHVDJQDDJMDPQ-IOMROCGXSA-N 1 3 359.514 2.802 20 0 FFADHO COc1cc(CN(C)[C@H]2CC[C@H]([N@H+](C)Cc3cc(OC)no3)CC2)on1 ZINC000886389829 1008664073 /nfs/dbraw/zinc/66/40/73/1008664073.db2.gz ZLFOJSKVELXNEY-HDJSIYSDSA-N 1 3 364.446 2.555 20 0 FFADHO COc1cc(CN(C)[C@H]2CC[C@H]([N@@H+](C)Cc3cc(OC)no3)CC2)on1 ZINC000886389829 1008664090 /nfs/dbraw/zinc/66/40/90/1008664090.db2.gz ZLFOJSKVELXNEY-HDJSIYSDSA-N 1 3 364.446 2.555 20 0 FFADHO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000886602869 1008767527 /nfs/dbraw/zinc/76/75/27/1008767527.db2.gz BJNBLSATBGLLGS-ROUUACIJSA-N 1 3 368.481 2.616 20 0 FFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000887134262 1009044166 /nfs/dbraw/zinc/04/41/66/1009044166.db2.gz GLOVZJFYZZKLBP-QZTJIDSGSA-N 1 3 358.530 2.877 20 0 FFADHO CN(C)Cc1ccc(C[NH2+]C[C@H]2CCCCN2C)c2c1OC(F)(F)O2 ZINC001179734859 1009427491 /nfs/dbraw/zinc/42/74/91/1009427491.db2.gz VDTKGGODZLHXFH-OAHLLOKOSA-N 1 3 355.429 2.644 20 0 FFADHO COc1cccc(CN(C(=O)[C@H](C)N2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001180586352 1009761668 /nfs/dbraw/zinc/76/16/68/1009761668.db2.gz QAQUYVQYTUMWHQ-WDSOQIARSA-N 1 3 359.514 2.778 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)C[N@H+](C)C1CCCC1)[C@H]2C ZINC001180627540 1009775175 /nfs/dbraw/zinc/77/51/75/1009775175.db2.gz IDOGZJIANRJNRY-INIZCTEOSA-N 1 3 361.534 2.501 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)C[N@@H+](C)C1CCCC1)[C@H]2C ZINC001180627540 1009775185 /nfs/dbraw/zinc/77/51/85/1009775185.db2.gz IDOGZJIANRJNRY-INIZCTEOSA-N 1 3 361.534 2.501 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)C12CC[NH+](CC1)CC2 ZINC001181546920 1010143828 /nfs/dbraw/zinc/14/38/28/1010143828.db2.gz PFLZALSARBTUTJ-ICSRJNTNSA-N 1 3 355.526 2.841 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c(C)c1 ZINC001093824398 1010597000 /nfs/dbraw/zinc/59/70/00/1010597000.db2.gz SVXMFTNWSLXYFL-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1)[NH+](C)C ZINC001094020949 1010786548 /nfs/dbraw/zinc/78/65/48/1010786548.db2.gz PQRGBXVNMGHWRY-SPYBWZPUSA-N 1 3 367.484 2.735 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccccc3Cl)[C@H](C)C2)C1 ZINC001094042508 1010805043 /nfs/dbraw/zinc/80/50/43/1010805043.db2.gz VYJVEZRZKPTTSJ-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001094074541 1010833078 /nfs/dbraw/zinc/83/30/78/1010833078.db2.gz IFLNEXCMKJEMHS-TZMCWYRMSA-N 1 3 364.852 2.629 20 0 FFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001094237745 1010980854 /nfs/dbraw/zinc/98/08/54/1010980854.db2.gz HXXDZEBNGLNUPH-YLJYHZDGSA-N 1 3 366.509 2.641 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC001094241682 1010985247 /nfs/dbraw/zinc/98/52/47/1010985247.db2.gz WWGIJLLXWHOGJK-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO C[NH+](C)C1(C)CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000868170845 1011189480 /nfs/dbraw/zinc/18/94/80/1011189480.db2.gz NJEALBINGARZFV-QPIRBTGLSA-N 1 3 360.502 2.732 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001094529317 1011192692 /nfs/dbraw/zinc/19/26/92/1011192692.db2.gz POTCFEJVNYRJJW-QWFCFKBJSA-N 1 3 353.526 2.970 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001094529317 1011192697 /nfs/dbraw/zinc/19/26/97/1011192697.db2.gz POTCFEJVNYRJJW-QWFCFKBJSA-N 1 3 353.526 2.970 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC000645008554 1011308526 /nfs/dbraw/zinc/30/85/26/1011308526.db2.gz OBOOZRPOSHYWIL-PCCBWWKXSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC000645008554 1011308534 /nfs/dbraw/zinc/30/85/34/1011308534.db2.gz OBOOZRPOSHYWIL-PCCBWWKXSA-N 1 3 370.541 2.949 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000645472174 1011494944 /nfs/dbraw/zinc/49/49/44/1011494944.db2.gz IPWLVKVNOXZZQG-LEWJYISDSA-N 1 3 355.526 2.665 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC2)c1 ZINC000645489943 1011502301 /nfs/dbraw/zinc/50/23/01/1011502301.db2.gz XGVRLVHWXRICMJ-TZIWHRDSSA-N 1 3 374.573 2.633 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645505681 1011507407 /nfs/dbraw/zinc/50/74/07/1011507407.db2.gz JWKVLNADRASRIK-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645505681 1011507419 /nfs/dbraw/zinc/50/74/19/1011507419.db2.gz JWKVLNADRASRIK-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCN1C1CC1 ZINC001172001226 1011558930 /nfs/dbraw/zinc/55/89/30/1011558930.db2.gz ZMECDHOMQYWUGV-RMVXJAJNSA-N 1 3 353.510 2.640 20 0 FFADHO Cn1ccc(CN2CCCC23CCN([C@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)n1 ZINC001172116197 1011647944 /nfs/dbraw/zinc/64/79/44/1011647944.db2.gz KGNBELYTSXEUMV-AERCQKQUSA-N 1 3 371.573 2.866 20 0 FFADHO Cn1ccc(CN2CCCC23CCN([C@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)n1 ZINC001172116197 1011647954 /nfs/dbraw/zinc/64/79/54/1011647954.db2.gz KGNBELYTSXEUMV-AERCQKQUSA-N 1 3 371.573 2.866 20 0 FFADHO Cc1cc(N2CCN([C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)c2ccccc2[nH+]1 ZINC001172164191 1011676511 /nfs/dbraw/zinc/67/65/11/1011676511.db2.gz UXOWPKVFYRLTEM-MSOLQXFVSA-N 1 3 364.493 2.819 20 0 FFADHO O=C1CC[C@@H]2C[C@@H]([NH+]3CCC4(CCN(Cc5ccoc5)C4)CC3)CCN12 ZINC001172179878 1011687052 /nfs/dbraw/zinc/68/70/52/1011687052.db2.gz VTMUYXJBSTYQKZ-RBUKOAKNSA-N 1 3 357.498 2.721 20 0 FFADHO C[N@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172182077 1011689271 /nfs/dbraw/zinc/68/92/71/1011689271.db2.gz JFUQLNXJSXGINH-WOJBJXKFSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172182077 1011689281 /nfs/dbraw/zinc/68/92/81/1011689281.db2.gz JFUQLNXJSXGINH-WOJBJXKFSA-N 1 3 359.489 2.875 20 0 FFADHO COCCCN1CCC([NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172255767 1011729402 /nfs/dbraw/zinc/72/94/02/1011729402.db2.gz NIYVWZNAYNNFLL-NHCUHLMSSA-N 1 3 357.542 2.551 20 0 FFADHO Cc1cc(Cl)ccc1CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001275075386 1011892175 /nfs/dbraw/zinc/89/21/75/1011892175.db2.gz RZESNVVOOGFROS-SFHVURJKSA-N 1 3 363.933 2.928 20 0 FFADHO CCCC[C@H]1C[C@H](N2CCN(CC[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172630419 1011904906 /nfs/dbraw/zinc/90/49/06/1011904906.db2.gz CMXZMVZGKFSXMW-MSOLQXFVSA-N 1 3 368.566 2.521 20 0 FFADHO [NH3+]C1CCC(OCC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000646408838 1011911976 /nfs/dbraw/zinc/91/19/76/1011911976.db2.gz MUJCNAMLKHMBAT-MHJFOBGBSA-N 1 3 359.514 2.616 20 0 FFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275092880 1011919294 /nfs/dbraw/zinc/91/92/94/1011919294.db2.gz FALZEEGSEIPOQO-RBBKRZOGSA-N 1 3 357.542 2.912 20 0 FFADHO CC(C)CC[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275092880 1011919303 /nfs/dbraw/zinc/91/93/03/1011919303.db2.gz FALZEEGSEIPOQO-RBBKRZOGSA-N 1 3 357.542 2.912 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC[C@@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001275226251 1012102293 /nfs/dbraw/zinc/10/22/93/1012102293.db2.gz MDOLHTGLDSUVHL-SLYNCCJLSA-N 1 3 358.530 2.560 20 0 FFADHO Cc1ccc2[nH]cc(CN3CCC[C@]34CCN(CC[NH+](C)C)C4=O)c2c1 ZINC001275355925 1012355800 /nfs/dbraw/zinc/35/58/00/1012355800.db2.gz DEKLJLBSPSKWFB-OAQYLSRUSA-N 1 3 354.498 2.605 20 0 FFADHO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)s1 ZINC001275356696 1012358403 /nfs/dbraw/zinc/35/84/03/1012358403.db2.gz DSDXIKGSGXNNAI-IBGZPJMESA-N 1 3 364.559 2.526 20 0 FFADHO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)s1 ZINC001275356696 1012358420 /nfs/dbraw/zinc/35/84/20/1012358420.db2.gz DSDXIKGSGXNNAI-IBGZPJMESA-N 1 3 364.559 2.526 20 0 FFADHO CC(C)Oc1ccccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001275526555 1012574905 /nfs/dbraw/zinc/57/49/05/1012574905.db2.gz HWCAZGXNLKDSMH-RTBURBONSA-N 1 3 359.514 2.601 20 0 FFADHO O=C(NCc1nc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1)c1ccccc1 ZINC000647788322 1012583892 /nfs/dbraw/zinc/58/38/92/1012583892.db2.gz HSSLDOAWCUCGEQ-IXDOHACOSA-N 1 3 370.522 2.551 20 0 FFADHO CC[N@H+](C)[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009838 1032646900 /nfs/dbraw/zinc/64/69/00/1032646900.db2.gz NSFTVUCDOZHUSJ-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CC[N@@H+](C)[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009838 1032646904 /nfs/dbraw/zinc/64/69/04/1032646904.db2.gz NSFTVUCDOZHUSJ-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978009 1012655289 /nfs/dbraw/zinc/65/52/89/1012655289.db2.gz KXSYQRPHBCAGKB-UYAOXDASSA-N 1 3 373.541 2.551 20 0 FFADHO CN(C)CCN1CC[N@@H+](C2CCC3(CCc4ccccc43)CC2)CCC1=O ZINC001173690616 1012902261 /nfs/dbraw/zinc/90/22/61/1012902261.db2.gz VZZKWPPWIXHKLB-UHFFFAOYSA-N 1 3 369.553 2.909 20 0 FFADHO CN(C)CCN1CC[N@H+](C2CCC3(CCc4ccccc43)CC2)CCC1=O ZINC001173690616 1012902272 /nfs/dbraw/zinc/90/22/72/1012902272.db2.gz VZZKWPPWIXHKLB-UHFFFAOYSA-N 1 3 369.553 2.909 20 0 FFADHO C[C@@H](CN1CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924675620 1017411064 /nfs/dbraw/zinc/41/10/64/1017411064.db2.gz SOBHHYQFIIDBRR-BHGTWAMESA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H](CN1CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924675620 1017411070 /nfs/dbraw/zinc/41/10/70/1017411070.db2.gz SOBHHYQFIIDBRR-BHGTWAMESA-N 1 3 357.542 2.882 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000924695800 1017425223 /nfs/dbraw/zinc/42/52/23/1017425223.db2.gz SXNUKLCASLEMIT-KRWDZBQOSA-N 1 3 354.498 2.776 20 0 FFADHO C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924808426 1017492887 /nfs/dbraw/zinc/49/28/87/1017492887.db2.gz SIVNCLWVTGNMIE-GOSISDBHSA-N 1 3 367.541 2.746 20 0 FFADHO CCOC(=O)c1ccc(N2CC(N[C@@H](CCC[NH3+])c3ccccc3)C2)nc1 ZINC000925637122 1017807075 /nfs/dbraw/zinc/80/70/75/1017807075.db2.gz HYZALOHUROKAEJ-IBGZPJMESA-N 1 3 368.481 2.517 20 0 FFADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OC(F)(F)F ZINC000925856587 1017875537 /nfs/dbraw/zinc/87/55/37/1017875537.db2.gz SODFQQXJZFYCBB-CHWSQXEVSA-N 1 3 372.387 2.921 20 0 FFADHO Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000925887207 1017882686 /nfs/dbraw/zinc/88/26/86/1017882686.db2.gz VEHRHFWJPBTIED-HFSMHLIXSA-N 1 3 372.534 2.806 20 0 FFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925909498 1017894501 /nfs/dbraw/zinc/89/45/01/1017894501.db2.gz HXWPKBIEZBAJAG-HSALFYBXSA-N 1 3 373.545 2.733 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4C[C@@H]5COC[C@@H]5O4)[C@H]3C2)cc1 ZINC000926946137 1018302395 /nfs/dbraw/zinc/30/23/95/1018302395.db2.gz DKMOZFQKKJLTBZ-WVYKEMLSSA-N 1 3 356.510 2.681 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCCCO2)cc1 ZINC001096176426 1019098142 /nfs/dbraw/zinc/09/81/42/1019098142.db2.gz WZQHMFCLUONWDD-ANULTFPQSA-N 1 3 371.525 2.652 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@H]2CCCC2(F)F)CC1 ZINC001110956631 1019226956 /nfs/dbraw/zinc/22/69/56/1019226956.db2.gz QYHJTQLMLCBNHT-VQHPVUNQSA-N 1 3 369.500 2.875 20 0 FFADHO FC(F)C(F)(F)Oc1ccc(CN2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001222209097 1032824071 /nfs/dbraw/zinc/82/40/71/1032824071.db2.gz VMOIDAWAFHIASF-UHFFFAOYSA-N 1 3 362.367 2.878 20 0 FFADHO Cc1cc(C)nc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000930072856 1019857138 /nfs/dbraw/zinc/85/71/38/1019857138.db2.gz UYZUKWAYZHNSKN-UHFFFAOYSA-N 1 3 372.557 2.903 20 0 FFADHO [NH3+]CCCC[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)cc1F ZINC000902370491 1020138112 /nfs/dbraw/zinc/13/81/12/1020138112.db2.gz NXUAXBCXWGYEAT-CRAIPNDOSA-N 1 3 370.440 2.647 20 0 FFADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CCCC2)CC1)N(C)C ZINC001071086065 1020193807 /nfs/dbraw/zinc/19/38/07/1020193807.db2.gz NEJBXJQMIJWVJP-AABGKKOBSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1cccc([C@H](C)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001096355815 1020206227 /nfs/dbraw/zinc/20/62/27/1020206227.db2.gz DGGFKRLWQHRWDE-RNQOJCNYSA-N 1 3 353.510 2.873 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C1CC1)C12CC[NH+](CC1)C2 ZINC001096356853 1020208315 /nfs/dbraw/zinc/20/83/15/1020208315.db2.gz XOFDUFBUQHGWAS-GIVPXCGWSA-N 1 3 365.521 2.881 20 0 FFADHO Cc1ccc(F)cc1CN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072751793 1020300505 /nfs/dbraw/zinc/30/05/05/1020300505.db2.gz DYACOYCOQSCWTF-VQIMIIECSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)cc1CN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072751793 1020300512 /nfs/dbraw/zinc/30/05/12/1020300512.db2.gz DYACOYCOQSCWTF-VQIMIIECSA-N 1 3 359.489 2.509 20 0 FFADHO CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CCN(CCc2ccccn2)CC1 ZINC000900466108 1020432284 /nfs/dbraw/zinc/43/22/84/1020432284.db2.gz WVLLFGHGZHBCCP-LEWJYISDSA-N 1 3 370.541 2.564 20 0 FFADHO CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CCN(CCc2ccccn2)CC1 ZINC000900466108 1020432293 /nfs/dbraw/zinc/43/22/93/1020432293.db2.gz WVLLFGHGZHBCCP-LEWJYISDSA-N 1 3 370.541 2.564 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCOCC1)N(CC)CC ZINC001111017634 1020601563 /nfs/dbraw/zinc/60/15/63/1020601563.db2.gz CJSSGLSAIRLZHL-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCOCC1)N(CC)CC ZINC001111017634 1020601566 /nfs/dbraw/zinc/60/15/66/1020601566.db2.gz CJSSGLSAIRLZHL-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001074015906 1020625932 /nfs/dbraw/zinc/62/59/32/1020625932.db2.gz VWRNWJRALNXFNG-NSISKUIASA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC001074015906 1020625935 /nfs/dbraw/zinc/62/59/35/1020625935.db2.gz VWRNWJRALNXFNG-NSISKUIASA-N 1 3 361.505 2.979 20 0 FFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CCC3(CC2)OCCO3)CC1 ZINC000903373832 1020811037 /nfs/dbraw/zinc/81/10/37/1020811037.db2.gz DOEOATGDAYUICZ-PKOBYXMFSA-N 1 3 366.546 2.667 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)cc1 ZINC001098393896 1020867788 /nfs/dbraw/zinc/86/77/88/1020867788.db2.gz FWNPUXSHZXVVQF-BQJUDKOJSA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001098393896 1020867794 /nfs/dbraw/zinc/86/77/94/1020867794.db2.gz FWNPUXSHZXVVQF-BQJUDKOJSA-N 1 3 355.526 2.983 20 0 FFADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(O)c1 ZINC000933627312 1021053364 /nfs/dbraw/zinc/05/33/64/1021053364.db2.gz JVTNVUMXQRMPLE-QGZVFWFLSA-N 1 3 359.514 2.562 20 0 FFADHO CCN1CCC[C@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703639 1021366422 /nfs/dbraw/zinc/36/64/22/1021366422.db2.gz FSRICYCHTYSZTI-XLIONFOSSA-N 1 3 357.502 2.740 20 0 FFADHO CC[N@@H+]1CCC[C@H](CN[C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703639 1021366439 /nfs/dbraw/zinc/36/64/39/1021366439.db2.gz FSRICYCHTYSZTI-XLIONFOSSA-N 1 3 357.502 2.740 20 0 FFADHO CC[N@H+]1CCC[C@H](CN[C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703639 1021366457 /nfs/dbraw/zinc/36/64/57/1021366457.db2.gz FSRICYCHTYSZTI-XLIONFOSSA-N 1 3 357.502 2.740 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(F)cc2)C3)CC1 ZINC001099011189 1021586616 /nfs/dbraw/zinc/58/66/16/1021586616.db2.gz WJAFOSYDBVJPFF-RXVVDRJESA-N 1 3 359.489 2.638 20 0 FFADHO Cc1ccc(NC(=O)[C@@H]2CCCN2C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000935419130 1021702623 /nfs/dbraw/zinc/70/26/23/1021702623.db2.gz GZGCWDYKDZLWLT-SFHVURJKSA-N 1 3 360.502 2.697 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001257561259 1022230694 /nfs/dbraw/zinc/23/06/94/1022230694.db2.gz OVRSNOFSMVJQPP-HNNXBMFYSA-N 1 3 354.336 2.559 20 0 FFADHO CCOC(=O)Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222614373 1033077478 /nfs/dbraw/zinc/07/74/78/1033077478.db2.gz DOTUKPNHUYIOSL-NRFANRHFSA-N 1 3 364.489 2.981 20 0 FFADHO CCOC(=O)Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222614373 1033077484 /nfs/dbraw/zinc/07/74/84/1033077484.db2.gz DOTUKPNHUYIOSL-NRFANRHFSA-N 1 3 364.489 2.981 20 0 FFADHO [NH3+]CC1([C@H]2CCCCN2C(=O)NC[C@@H]2NCCc3ccccc32)CCC1 ZINC001120546153 1023356074 /nfs/dbraw/zinc/35/60/74/1023356074.db2.gz QFCWPUOFAHNJHL-RBUKOAKNSA-N 1 3 356.514 2.567 20 0 FFADHO COc1cc(C)c([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000753665467 1023365202 /nfs/dbraw/zinc/36/52/02/1023365202.db2.gz PBXNJDYMTTVGBL-KRWDZBQOSA-N 1 3 361.530 2.905 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=S)NC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000753670063 1023366791 /nfs/dbraw/zinc/36/67/91/1023366791.db2.gz ASVYKMZYAOZTIY-IEBWSBKVSA-N 1 3 374.598 2.845 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=S)NC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000753670063 1023366798 /nfs/dbraw/zinc/36/67/98/1023366798.db2.gz ASVYKMZYAOZTIY-IEBWSBKVSA-N 1 3 374.598 2.845 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001120621438 1023390830 /nfs/dbraw/zinc/39/08/30/1023390830.db2.gz BEWJXHIXCVUXMK-XLIONFOSSA-N 1 3 358.530 2.844 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001120621438 1023390835 /nfs/dbraw/zinc/39/08/35/1023390835.db2.gz BEWJXHIXCVUXMK-XLIONFOSSA-N 1 3 358.530 2.844 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001222810796 1033166426 /nfs/dbraw/zinc/16/64/26/1033166426.db2.gz XHXPHGKQRKTXAF-QYZOEREBSA-N 1 3 353.526 2.923 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001222810796 1033166435 /nfs/dbraw/zinc/16/64/35/1033166435.db2.gz XHXPHGKQRKTXAF-QYZOEREBSA-N 1 3 353.526 2.923 20 0 FFADHO C[NH+]1CCC(C)(CNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000779721350 1024496544 /nfs/dbraw/zinc/49/65/44/1024496544.db2.gz OXBBNHWCRSUKRP-UHFFFAOYSA-N 1 3 374.598 2.847 20 0 FFADHO C[NH+](C)CCCC(=O)N1CCO[C@@H]2CN(CCC3CCCCCC3)C[C@@H]21 ZINC001218557906 1033219368 /nfs/dbraw/zinc/21/93/68/1033219368.db2.gz NBPCZQJLRCHCPU-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101443989 1024758064 /nfs/dbraw/zinc/75/80/64/1024758064.db2.gz SMZOTHRGCUIPSS-SCTDSRPQSA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101443989 1024758076 /nfs/dbraw/zinc/75/80/76/1024758076.db2.gz SMZOTHRGCUIPSS-SCTDSRPQSA-N 1 3 371.516 2.934 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477437 1024845056 /nfs/dbraw/zinc/84/50/56/1024845056.db2.gz UDQVXLHOWPDTDT-NQIIRXRSSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477437 1024845079 /nfs/dbraw/zinc/84/50/79/1024845079.db2.gz UDQVXLHOWPDTDT-NQIIRXRSSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047852 1025352528 /nfs/dbraw/zinc/35/25/28/1025352528.db2.gz VJQZELLCMFMSNO-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047852 1025352546 /nfs/dbraw/zinc/35/25/46/1025352546.db2.gz VJQZELLCMFMSNO-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000637720346 1025546071 /nfs/dbraw/zinc/54/60/71/1025546071.db2.gz VHTIPKRVBMZDAF-HOJAQTOUSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000637720346 1025546085 /nfs/dbraw/zinc/54/60/85/1025546085.db2.gz VHTIPKRVBMZDAF-HOJAQTOUSA-N 1 3 358.530 2.693 20 0 FFADHO CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000638122655 1025713173 /nfs/dbraw/zinc/71/31/73/1025713173.db2.gz NUFRBQUTBYFKBE-RTBURBONSA-N 1 3 374.529 2.555 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c1 ZINC001102366644 1025818615 /nfs/dbraw/zinc/81/86/15/1025818615.db2.gz MJVGLCLLQHLWSC-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c1 ZINC001102366644 1025818629 /nfs/dbraw/zinc/81/86/29/1025818629.db2.gz MJVGLCLLQHLWSC-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1C ZINC001102369876 1025829568 /nfs/dbraw/zinc/82/95/68/1025829568.db2.gz JLKYVJKYSTZKAY-LDQXTDLNSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1C ZINC001102369876 1025829585 /nfs/dbraw/zinc/82/95/85/1025829585.db2.gz JLKYVJKYSTZKAY-LDQXTDLNSA-N 1 3 357.542 2.829 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(OC)c2)C[C@H]1C)N(C)C ZINC001102380826 1025853672 /nfs/dbraw/zinc/85/36/72/1025853672.db2.gz YRFJLKFQPNPUJU-QRQLOZEOSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(OC)c2)C[C@H]1C)N(C)C ZINC001102380826 1025853692 /nfs/dbraw/zinc/85/36/92/1025853692.db2.gz YRFJLKFQPNPUJU-QRQLOZEOSA-N 1 3 361.530 2.528 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C2)cc1 ZINC001102382198 1025857234 /nfs/dbraw/zinc/85/72/34/1025857234.db2.gz SYSDNSWOBNAIHI-UIFIKXQLSA-N 1 3 359.558 2.816 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C2)cc1 ZINC001102382198 1025857250 /nfs/dbraw/zinc/85/72/50/1025857250.db2.gz SYSDNSWOBNAIHI-UIFIKXQLSA-N 1 3 359.558 2.816 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638672609 1025928171 /nfs/dbraw/zinc/92/81/71/1025928171.db2.gz DJKZLDAKACNGHY-SFHVURJKSA-N 1 3 351.450 2.629 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638672609 1025928177 /nfs/dbraw/zinc/92/81/77/1025928177.db2.gz DJKZLDAKACNGHY-SFHVURJKSA-N 1 3 351.450 2.629 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638725612 1025955949 /nfs/dbraw/zinc/95/59/49/1025955949.db2.gz CHOCGIBHCCXOLQ-LJQANCHMSA-N 1 3 359.514 2.570 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C ZINC001102472216 1026039907 /nfs/dbraw/zinc/03/99/07/1026039907.db2.gz PDNXWWCRYHIAKI-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C ZINC001102472216 1026039925 /nfs/dbraw/zinc/03/99/25/1026039925.db2.gz PDNXWWCRYHIAKI-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001102475400 1026057678 /nfs/dbraw/zinc/05/76/78/1026057678.db2.gz NAHZENBQSXDJFX-SJLPKXTDSA-N 1 3 351.560 2.707 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001102475400 1026057694 /nfs/dbraw/zinc/05/76/94/1026057694.db2.gz NAHZENBQSXDJFX-SJLPKXTDSA-N 1 3 351.560 2.707 20 0 FFADHO CN(Cc1ccccc1)[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)C1CC1 ZINC000639060794 1026149760 /nfs/dbraw/zinc/14/97/60/1026149760.db2.gz JHWFLTUWHDVPOW-NRFANRHFSA-N 1 3 359.558 2.722 20 0 FFADHO [NH3+]C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)c2ccccc21 ZINC000639067905 1026153814 /nfs/dbraw/zinc/15/38/14/1026153814.db2.gz NZVVUZNIZQSHCE-QGZVFWFLSA-N 1 3 357.498 2.501 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N(C)[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)CC2 ZINC000639173462 1026206904 /nfs/dbraw/zinc/20/69/04/1026206904.db2.gz YYORJWZWNYXMQP-UYAOXDASSA-N 1 3 373.541 2.791 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N(C)[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)CC2 ZINC000639173462 1026206919 /nfs/dbraw/zinc/20/69/19/1026206919.db2.gz YYORJWZWNYXMQP-UYAOXDASSA-N 1 3 373.541 2.791 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102525248 1026215929 /nfs/dbraw/zinc/21/59/29/1026215929.db2.gz SLURFJJCKRTQQH-XQBPLPMBSA-N 1 3 371.569 2.817 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102525248 1026215944 /nfs/dbraw/zinc/21/59/44/1026215944.db2.gz SLURFJJCKRTQQH-XQBPLPMBSA-N 1 3 371.569 2.817 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001102532142 1026242768 /nfs/dbraw/zinc/24/27/68/1026242768.db2.gz VYZDTTJWKSJUNV-RHSMWYFYSA-N 1 3 360.527 2.639 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001102532142 1026242778 /nfs/dbraw/zinc/24/27/78/1026242778.db2.gz VYZDTTJWKSJUNV-RHSMWYFYSA-N 1 3 360.527 2.639 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1C ZINC001102532116 1026242997 /nfs/dbraw/zinc/24/29/97/1026242997.db2.gz VGAFNZXQVQXEOZ-YLJYHZDGSA-N 1 3 368.525 2.886 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1C ZINC001102532116 1026243009 /nfs/dbraw/zinc/24/30/09/1026243009.db2.gz VGAFNZXQVQXEOZ-YLJYHZDGSA-N 1 3 368.525 2.886 20 0 FFADHO Cc1nc(C(F)(F)F)ccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001141428377 1026278602 /nfs/dbraw/zinc/27/86/02/1026278602.db2.gz FEVVGIXYBKTGOO-JKSUJKDBSA-N 1 3 356.436 2.619 20 0 FFADHO Cc1nc(C(F)(F)F)ccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001141428377 1026278613 /nfs/dbraw/zinc/27/86/13/1026278613.db2.gz FEVVGIXYBKTGOO-JKSUJKDBSA-N 1 3 356.436 2.619 20 0 FFADHO CC[C@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1)OC ZINC001102987593 1026859341 /nfs/dbraw/zinc/85/93/41/1026859341.db2.gz ITGRYUNMVBRTPE-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1)OC ZINC001102987593 1026859348 /nfs/dbraw/zinc/85/93/48/1026859348.db2.gz ITGRYUNMVBRTPE-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C)N(C)C ZINC001103111877 1026971418 /nfs/dbraw/zinc/97/14/18/1026971418.db2.gz SCNRYXDTPFYUNH-NRSPTQNISA-N 1 3 359.558 2.890 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C)N(C)C ZINC001103111877 1026971424 /nfs/dbraw/zinc/97/14/24/1026971424.db2.gz SCNRYXDTPFYUNH-NRSPTQNISA-N 1 3 359.558 2.890 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C)N(C)C ZINC001103111739 1026971969 /nfs/dbraw/zinc/97/19/69/1026971969.db2.gz LZELFULJJDKPOJ-POAQFYNOSA-N 1 3 363.521 2.986 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C)N(C)C ZINC001103111739 1026971977 /nfs/dbraw/zinc/97/19/77/1026971977.db2.gz LZELFULJJDKPOJ-POAQFYNOSA-N 1 3 363.521 2.986 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1C)N(C)C ZINC001103138447 1026994708 /nfs/dbraw/zinc/99/47/08/1026994708.db2.gz LQJIMDAPACYQGA-KBRIMQKVSA-N 1 3 366.575 2.674 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1C)N(C)C ZINC001103138447 1026994711 /nfs/dbraw/zinc/99/47/11/1026994711.db2.gz LQJIMDAPACYQGA-KBRIMQKVSA-N 1 3 366.575 2.674 20 0 FFADHO CN1CCC(N(c2cncc(N3CCCCCC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158589827 1027070108 /nfs/dbraw/zinc/07/01/08/1027070108.db2.gz ZKBQUAUDSLKTTR-UHFFFAOYSA-N 1 3 372.561 2.510 20 0 FFADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968351 1027212662 /nfs/dbraw/zinc/21/26/62/1027212662.db2.gz OSRAAVGFFGJXJY-CVEARBPZSA-N 1 3 373.463 2.784 20 0 FFADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968351 1027212681 /nfs/dbraw/zinc/21/26/81/1027212681.db2.gz OSRAAVGFFGJXJY-CVEARBPZSA-N 1 3 373.463 2.784 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396812 1027394638 /nfs/dbraw/zinc/39/46/38/1027394638.db2.gz KKERLIUQUDHTHD-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO CN1CCN(Cc2cccc(Nc3ccc(N4CC[NH2+]CC4)cc3)c2)CC1 ZINC001159455275 1027395792 /nfs/dbraw/zinc/39/57/92/1027395792.db2.gz DVPWBMLPJRCHSV-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO Cc1ncsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103434161 1027472965 /nfs/dbraw/zinc/47/29/65/1027472965.db2.gz SDNNVGPOGWEJMV-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103434161 1027472975 /nfs/dbraw/zinc/47/29/75/1027472975.db2.gz SDNNVGPOGWEJMV-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CCC[C@H]3C)C2)s1 ZINC001103434326 1027475152 /nfs/dbraw/zinc/47/51/52/1027475152.db2.gz ZDTYFXLLELTDAA-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CCC[C@H]3C)C2)s1 ZINC001103434326 1027475159 /nfs/dbraw/zinc/47/51/59/1027475159.db2.gz ZDTYFXLLELTDAA-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103437372 1027484260 /nfs/dbraw/zinc/48/42/60/1027484260.db2.gz VQJSHVYEDRGOOW-HLIPFELVSA-N 1 3 355.542 2.929 20 0 FFADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103437372 1027484266 /nfs/dbraw/zinc/48/42/66/1027484266.db2.gz VQJSHVYEDRGOOW-HLIPFELVSA-N 1 3 355.542 2.929 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2c(C)nsc2C)C[C@H]1C ZINC001103663742 1027922566 /nfs/dbraw/zinc/92/25/66/1027922566.db2.gz RGTRXJZMZHMBOJ-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2c(C)nsc2C)C[C@H]1C ZINC001103663742 1027922574 /nfs/dbraw/zinc/92/25/74/1027922574.db2.gz RGTRXJZMZHMBOJ-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@H]1C ZINC001103664778 1027924603 /nfs/dbraw/zinc/92/46/03/1027924603.db2.gz VZYICELVFUWONG-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)C[C@H]1C ZINC001103664778 1027924611 /nfs/dbraw/zinc/92/46/11/1027924611.db2.gz VZYICELVFUWONG-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO COc1ccccc1OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643456403 1028008277 /nfs/dbraw/zinc/00/82/77/1028008277.db2.gz RAAUIYSAQBFXBR-LAUBAEHRSA-N 1 3 354.450 2.920 20 0 FFADHO Clc1cc(NCC2CC[NH+](C3CCOCC3)CC2)c2c(n1)CNCC2 ZINC001161240022 1028087746 /nfs/dbraw/zinc/08/77/46/1028087746.db2.gz HBCGJCRKYQZEMM-UHFFFAOYSA-N 1 3 364.921 2.684 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1C ZINC001103755620 1028145075 /nfs/dbraw/zinc/14/50/75/1028145075.db2.gz MUYCOMLETICGIP-MISYRCLQSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C ZINC001103755620 1028145081 /nfs/dbraw/zinc/14/50/81/1028145081.db2.gz MUYCOMLETICGIP-MISYRCLQSA-N 1 3 358.530 2.530 20 0 FFADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424835 1028164848 /nfs/dbraw/zinc/16/48/48/1028164848.db2.gz OFBMYZUSVNUGQM-RDJZCZTQSA-N 1 3 369.431 2.698 20 0 FFADHO COc1ccc2cccc(CC(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)c2c1 ZINC001161444310 1028177004 /nfs/dbraw/zinc/17/70/04/1028177004.db2.gz GCTNHLCYWVTYKU-IBGZPJMESA-N 1 3 369.509 2.533 20 0 FFADHO Cc1ccc(-c2cccc(C(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)n2)cc1 ZINC001161448719 1028179762 /nfs/dbraw/zinc/17/97/62/1028179762.db2.gz GPQLWZXXGKFEPF-IBGZPJMESA-N 1 3 366.509 2.813 20 0 FFADHO Cc1nc(NC2(Cc3ccccn3)CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC001161491585 1028197033 /nfs/dbraw/zinc/19/70/33/1028197033.db2.gz NXBKPRCEOGUTPC-UHFFFAOYSA-N 1 3 352.486 2.557 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC000644161012 1028347570 /nfs/dbraw/zinc/34/75/70/1028347570.db2.gz XYRUPTYOTAJTBY-UNMCSNQZSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC000644161012 1028347591 /nfs/dbraw/zinc/34/75/91/1028347591.db2.gz XYRUPTYOTAJTBY-UNMCSNQZSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001162777793 1028654475 /nfs/dbraw/zinc/65/44/75/1028654475.db2.gz VHXSDAFDPPZRQL-CQSZACIVSA-N 1 3 363.465 2.527 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001162777791 1028654530 /nfs/dbraw/zinc/65/45/30/1028654530.db2.gz VHXSDAFDPPZRQL-AWEZNQCLSA-N 1 3 363.465 2.527 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOC1CCC1)C2)N(CC)CC ZINC001111869743 1029649132 /nfs/dbraw/zinc/64/91/32/1029649132.db2.gz HZVULYALZRNULH-DSKINZAPSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOC1CCC1)C2)N(CC)CC ZINC001111869743 1029649138 /nfs/dbraw/zinc/64/91/38/1029649138.db2.gz HZVULYALZRNULH-DSKINZAPSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157978100 1029699514 /nfs/dbraw/zinc/69/95/14/1029699514.db2.gz MEIYYRICDIWKIU-VAMGGRTRSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)CCOCCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978100 1029699518 /nfs/dbraw/zinc/69/95/18/1029699518.db2.gz MEIYYRICDIWKIU-VAMGGRTRSA-N 1 3 367.578 2.702 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(OC)cc1)C2 ZINC001111926725 1029754141 /nfs/dbraw/zinc/75/41/41/1029754141.db2.gz GEDYFUVRVYWEIF-RXVVDRJESA-N 1 3 359.514 2.508 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(OC)cc1)C2 ZINC001111926725 1029754149 /nfs/dbraw/zinc/75/41/49/1029754149.db2.gz GEDYFUVRVYWEIF-RXVVDRJESA-N 1 3 359.514 2.508 20 0 FFADHO O=C([C@H]1C[C@H](c2ccccc2)CC[NH2+]1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337623 1029800763 /nfs/dbraw/zinc/80/07/63/1029800763.db2.gz ZBLFBFXXGPNWKS-XYEHWOGUSA-N 1 3 361.489 2.620 20 0 FFADHO O=C([C@@H]1CC[C@H](c2ccccc2)[NH2+]C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335222 1029801107 /nfs/dbraw/zinc/80/11/07/1029801107.db2.gz ONDMXYRXUFWCKZ-FVTFTPSCSA-N 1 3 361.489 2.825 20 0 FFADHO O=C([C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335225 1029801436 /nfs/dbraw/zinc/80/14/36/1029801436.db2.gz ONDMXYRXUFWCKZ-RYFAJOAYSA-N 1 3 361.489 2.825 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cccc(Cl)c2F)CC[N@@H+]1C ZINC001158404782 1029820995 /nfs/dbraw/zinc/82/09/95/1029820995.db2.gz YQHQOWBLZJWAGR-GOEBONIOSA-N 1 3 355.885 2.805 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cccc(Cl)c2F)CC[N@H+]1C ZINC001158404782 1029821002 /nfs/dbraw/zinc/82/10/02/1029821002.db2.gz YQHQOWBLZJWAGR-GOEBONIOSA-N 1 3 355.885 2.805 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC001158428783 1029826479 /nfs/dbraw/zinc/82/64/79/1029826479.db2.gz SDQQVWINSCCDPL-TZMCWYRMSA-N 1 3 358.313 2.930 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC001158428783 1029826483 /nfs/dbraw/zinc/82/64/83/1029826483.db2.gz SDQQVWINSCCDPL-TZMCWYRMSA-N 1 3 358.313 2.930 20 0 FFADHO [NH3+][C@@H]1CCN(Cc2cccc(NCC3CN(Cc4ccccc4)C3)c2)C1 ZINC001165470019 1029992485 /nfs/dbraw/zinc/99/24/85/1029992485.db2.gz YIRIIMWXXAGCIR-OAQYLSRUSA-N 1 3 350.510 2.764 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)Nc2cccc(OCC[NH3+])c2)c1 ZINC000841287654 1030160847 /nfs/dbraw/zinc/16/08/47/1030160847.db2.gz HMSYCYQNVSTWJI-UHFFFAOYSA-N 1 3 370.497 2.928 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841323048 1030196877 /nfs/dbraw/zinc/19/68/77/1030196877.db2.gz YNJPPINHJXKHKZ-UHFFFAOYSA-N 1 3 371.529 2.894 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841819412 1030486533 /nfs/dbraw/zinc/48/65/33/1030486533.db2.gz CPNVUNBHQYILSE-RBBKRZOGSA-N 1 3 370.541 2.999 20 0 FFADHO COC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354365 1030635153 /nfs/dbraw/zinc/63/51/53/1030635153.db2.gz FYEIHYOLSDRWOX-LQWHRVPQSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cc2oc(=O)cc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)c2cc1C(C)C ZINC000842475756 1030749524 /nfs/dbraw/zinc/74/95/24/1030749524.db2.gz YCIYTZNGWRLRSI-GOSISDBHSA-N 1 3 369.509 2.704 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C\Cl)C1)N(C)C ZINC001112425547 1030791336 /nfs/dbraw/zinc/79/13/36/1030791336.db2.gz QSFBQQMXHSWVOT-FMQCBXNJSA-N 1 3 362.345 2.864 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001204087318 1031090962 /nfs/dbraw/zinc/09/09/62/1031090962.db2.gz ALYIFDFWCVYYCJ-CRWXNKLISA-N 1 3 365.440 2.762 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000843358520 1031351367 /nfs/dbraw/zinc/35/13/67/1031351367.db2.gz QJQZMGDMPRSSIG-FKBYEOEOSA-N 1 3 372.484 2.502 20 0 FFADHO COc1c(CN2CCC[C@@](O)(C[NH3+])CC2)cccc1OCc1ccccc1 ZINC001205255858 1031631529 /nfs/dbraw/zinc/63/15/29/1031631529.db2.gz MBBRUVOLKBBHLN-QFIPXVFZSA-N 1 3 370.493 2.950 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178979 1031684130 /nfs/dbraw/zinc/68/41/30/1031684130.db2.gz VSYGDLBTZLEAFH-IBGZPJMESA-N 1 3 357.542 2.850 20 0 FFADHO [NH3+]C[C@@]1(F)CCCN(Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001205558500 1031835562 /nfs/dbraw/zinc/83/55/62/1031835562.db2.gz FQCUECUMEGKOIF-OAHLLOKOSA-N 1 3 355.255 2.978 20 0 FFADHO C[C@@H]1CCN(Cc2cn3ccc(Br)cc3n2)CC[C@@H]1C[NH3+] ZINC001205625676 1031883122 /nfs/dbraw/zinc/88/31/22/1031883122.db2.gz CKTHUKGZNDVONO-CHWSQXEVSA-N 1 3 351.292 2.904 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CCC2)C1 ZINC001205663921 1031917301 /nfs/dbraw/zinc/91/73/01/1031917301.db2.gz GVNISGFHNFAGKQ-AZUAARDMSA-N 1 3 361.505 2.852 20 0 FFADHO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@](O)(CN)C3)cc2)cc1 ZINC001205726547 1031957626 /nfs/dbraw/zinc/95/76/26/1031957626.db2.gz USFOBDGQEUFWTE-QFIPXVFZSA-N 1 3 368.477 2.816 20 0 FFADHO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@](O)(CN)C3)cc2)cc1 ZINC001205726547 1031957643 /nfs/dbraw/zinc/95/76/43/1031957643.db2.gz USFOBDGQEUFWTE-QFIPXVFZSA-N 1 3 368.477 2.816 20 0 FFADHO COC(=O)c1ccc(-c2ccc(CN3CCCC[C@](O)(C[NH3+])C3)cc2)cc1 ZINC001205726547 1031957655 /nfs/dbraw/zinc/95/76/55/1031957655.db2.gz USFOBDGQEUFWTE-QFIPXVFZSA-N 1 3 368.477 2.816 20 0 FFADHO C[NH2+]C(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218845776 1033371594 /nfs/dbraw/zinc/37/15/94/1033371594.db2.gz OCVHCCGOQOKSBF-UHFFFAOYSA-N 1 3 366.509 2.945 20 0 FFADHO C[NH+]1CCC(COc2cccc(F)c2NC(=O)[C@@H]2C[C@@H](F)CCN2)CC1 ZINC001219300421 1033591080 /nfs/dbraw/zinc/59/10/80/1033591080.db2.gz ZBYOLEHDZYENNK-HOCLYGCPSA-N 1 3 367.440 2.575 20 0 FFADHO COC(=O)c1cc(NC(=O)[C@H](N)CCC[NH3+])ccc1Sc1ccccc1 ZINC001219357456 1033615585 /nfs/dbraw/zinc/61/55/85/1033615585.db2.gz XUPLJZVLUHMKKL-MRXNPFEDSA-N 1 3 373.478 2.629 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H]1CCNC[C@H]1F)CC21CC[NH2+]CC1 ZINC001219753852 1033798149 /nfs/dbraw/zinc/79/81/49/1033798149.db2.gz MOQGLEHMLBFDCE-KFKAGJAMSA-N 1 3 359.489 2.515 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC001224843316 1034030486 /nfs/dbraw/zinc/03/04/86/1034030486.db2.gz ALDUELSNZKYCBG-KSZLIROESA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC001224843316 1034030502 /nfs/dbraw/zinc/03/05/02/1034030502.db2.gz ALDUELSNZKYCBG-KSZLIROESA-N 1 3 364.578 2.869 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC001220611957 1034287936 /nfs/dbraw/zinc/28/79/36/1034287936.db2.gz XTMDDIQRZGUBJP-WBVHZDCISA-N 1 3 352.548 2.772 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC001220611957 1034287944 /nfs/dbraw/zinc/28/79/44/1034287944.db2.gz XTMDDIQRZGUBJP-WBVHZDCISA-N 1 3 352.548 2.772 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@H]3CCc4c3cccc4Cl)CC2)CC[N@@H+]1C ZINC001277060368 1034345993 /nfs/dbraw/zinc/34/59/93/1034345993.db2.gz NLMHFUVBSGFKHR-LBTNJELSSA-N 1 3 361.917 2.906 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@H]3CCc4c3cccc4Cl)CC2)CC[N@H+]1C ZINC001277060368 1034346008 /nfs/dbraw/zinc/34/60/08/1034346008.db2.gz NLMHFUVBSGFKHR-LBTNJELSSA-N 1 3 361.917 2.906 20 0 FFADHO O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220722272 1034354599 /nfs/dbraw/zinc/35/45/99/1034354599.db2.gz WGBUXENPPMLLSR-WPVAHCMFSA-N 1 3 353.510 2.559 20 0 FFADHO O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220722272 1034354611 /nfs/dbraw/zinc/35/46/11/1034354611.db2.gz WGBUXENPPMLLSR-WPVAHCMFSA-N 1 3 353.510 2.559 20 0 FFADHO O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220722270 1034354855 /nfs/dbraw/zinc/35/48/55/1034354855.db2.gz WGBUXENPPMLLSR-MDMHHNQBSA-N 1 3 353.510 2.559 20 0 FFADHO O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220722270 1034354869 /nfs/dbraw/zinc/35/48/69/1034354869.db2.gz WGBUXENPPMLLSR-MDMHHNQBSA-N 1 3 353.510 2.559 20 0 FFADHO N[C@@]1(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)CCc2cc(F)ccc2C1 ZINC001220917228 1034458220 /nfs/dbraw/zinc/45/82/20/1034458220.db2.gz SCDHYLFCVGYOOP-UNMCSNQZSA-N 1 3 373.516 2.783 20 0 FFADHO N[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CCc2cc(F)ccc2C1 ZINC001220917228 1034458227 /nfs/dbraw/zinc/45/82/27/1034458227.db2.gz SCDHYLFCVGYOOP-UNMCSNQZSA-N 1 3 373.516 2.783 20 0 FFADHO C[NH2+][C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@@H](C)OC(C)(C)C ZINC001221063296 1034532694 /nfs/dbraw/zinc/53/26/94/1034532694.db2.gz QXROOXTZLOLHJK-NEWSRXKRSA-N 1 3 361.530 2.559 20 0 FFADHO CN[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H](C)OC(C)(C)C ZINC001221063296 1034532699 /nfs/dbraw/zinc/53/26/99/1034532699.db2.gz QXROOXTZLOLHJK-NEWSRXKRSA-N 1 3 361.530 2.559 20 0 FFADHO CN[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H](C)OC(C)(C)C ZINC001221063296 1034532707 /nfs/dbraw/zinc/53/27/07/1034532707.db2.gz QXROOXTZLOLHJK-NEWSRXKRSA-N 1 3 361.530 2.559 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001226162250 1034553786 /nfs/dbraw/zinc/55/37/86/1034553786.db2.gz YNNDHHDGHXBDBQ-QRVBRYPASA-N 1 3 353.551 2.549 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCCN(c3ccc(F)cn3)CC2)cc1 ZINC001138768897 1034635383 /nfs/dbraw/zinc/63/53/83/1034635383.db2.gz GEZKDEISEGNROY-UHFFFAOYSA-N 1 3 372.488 2.873 20 0 FFADHO CCN1C(=O)CCC12CCN(Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC001138770748 1034637794 /nfs/dbraw/zinc/63/77/94/1034637794.db2.gz PYGPFRUTCQDJQS-UHFFFAOYSA-N 1 3 359.514 2.604 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1)N(C)C ZINC001226923044 1034884932 /nfs/dbraw/zinc/88/49/32/1034884932.db2.gz YMBAHFVNHNFVHH-KURKYZTESA-N 1 3 351.560 2.894 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1)N(C)C ZINC001227057094 1034922388 /nfs/dbraw/zinc/92/23/88/1034922388.db2.gz MOVMFCJPRIGDGT-VAMGGRTRSA-N 1 3 361.530 2.560 20 0 FFADHO CN(C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCCN(C)C1 ZINC001227136794 1034946133 /nfs/dbraw/zinc/94/61/33/1034946133.db2.gz ODRSEXQUHSYFOI-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001221794814 1035075785 /nfs/dbraw/zinc/07/57/85/1035075785.db2.gz XYOUKDVIIZVOOL-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001221794814 1035075789 /nfs/dbraw/zinc/07/57/89/1035075789.db2.gz XYOUKDVIIZVOOL-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848333 1035112125 /nfs/dbraw/zinc/11/21/25/1035112125.db2.gz KPFRUGNBXWCRLI-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO COCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848333 1035112130 /nfs/dbraw/zinc/11/21/30/1035112130.db2.gz KPFRUGNBXWCRLI-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCCCN1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848609 1035112211 /nfs/dbraw/zinc/11/22/11/1035112211.db2.gz XFRPXQHVRHOIHT-XUVXKRRUSA-N 1 3 365.562 2.599 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001221921897 1035158267 /nfs/dbraw/zinc/15/82/67/1035158267.db2.gz PCBYEEIDALCRSA-UYAOXDASSA-N 1 3 354.498 2.542 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001221921897 1035158270 /nfs/dbraw/zinc/15/82/70/1035158270.db2.gz PCBYEEIDALCRSA-UYAOXDASSA-N 1 3 354.498 2.542 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001228603757 1036200323 /nfs/dbraw/zinc/20/03/23/1036200323.db2.gz UOQGDBBUWSTJMN-MBOZVWFJSA-N 1 3 371.541 2.643 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C)C(C)C ZINC001229194129 1036545425 /nfs/dbraw/zinc/54/54/25/1036545425.db2.gz KPSAXPHFDNNAMX-GUDVDZBRSA-N 1 3 364.534 2.866 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1OC ZINC001229214383 1036556837 /nfs/dbraw/zinc/55/68/37/1036556837.db2.gz PXWFVEKOOUGPEZ-RTBURBONSA-N 1 3 361.530 2.862 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC001229229984 1036563081 /nfs/dbraw/zinc/56/30/81/1036563081.db2.gz FRMFEGIJOOCXNT-WOJBJXKFSA-N 1 3 359.514 2.576 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ns1 ZINC001229852399 1036934691 /nfs/dbraw/zinc/93/46/91/1036934691.db2.gz GVKCPPSUOLRRGR-IAGOWNOFSA-N 1 3 352.548 2.700 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ns1 ZINC001229852399 1036934712 /nfs/dbraw/zinc/93/47/12/1036934712.db2.gz GVKCPPSUOLRRGR-IAGOWNOFSA-N 1 3 352.548 2.700 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001229860143 1036940539 /nfs/dbraw/zinc/94/05/39/1036940539.db2.gz MOBUJVXHVJJNSU-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001229869143 1036948456 /nfs/dbraw/zinc/94/84/56/1036948456.db2.gz YUOKLWFCLQQRGK-RRFJBIMHSA-N 1 3 364.361 2.929 20 0 FFADHO Cc1cccc(CN2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)c1Cl ZINC001277868191 1037104204 /nfs/dbraw/zinc/10/42/04/1037104204.db2.gz ZRXTXMVYPJGREX-KRWDZBQOSA-N 1 3 363.933 2.928 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001230171485 1037127411 /nfs/dbraw/zinc/12/74/11/1037127411.db2.gz GRFJPHYXMGDXMD-WOJBJXKFSA-N 1 3 358.530 2.865 20 0 FFADHO Cc1cncc(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001207156221 1037201179 /nfs/dbraw/zinc/20/11/79/1037201179.db2.gz CTGIXWFKIDTSCR-UHFFFAOYSA-N 1 3 366.509 2.900 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001207262273 1037296119 /nfs/dbraw/zinc/29/61/19/1037296119.db2.gz GTESEGKEAZCFRN-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001207262273 1037296130 /nfs/dbraw/zinc/29/61/30/1037296130.db2.gz GTESEGKEAZCFRN-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO CC(C)C1=NCCc2ccc(CN3CCOC[C@@]4(CCC[NH2+]C4)C3)cc21 ZINC001235022917 1037309269 /nfs/dbraw/zinc/30/92/69/1037309269.db2.gz ROXFUXYSDACWAK-JOCHJYFZSA-N 1 3 355.526 2.890 20 0 FFADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)COC1CC[NH+](C)CC1 ZINC001536805491 1070060597 /nfs/dbraw/zinc/06/05/97/1070060597.db2.gz IZGYTDCZCGYKPV-FQEVSTJZSA-N 1 3 373.541 2.610 20 0 FFADHO COC(=O)c1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)ccc1O ZINC001235095775 1037360229 /nfs/dbraw/zinc/36/02/29/1037360229.db2.gz XTHACMZZNQSQJI-UHFFFAOYSA-N 1 3 366.461 2.816 20 0 FFADHO COC(=O)c1ccc(CN2CCN(CCC3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC001207485260 1037484563 /nfs/dbraw/zinc/48/45/63/1037484563.db2.gz VWIVLLHGWNPBQW-SFHVURJKSA-N 1 3 373.541 2.711 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207616792 1037605028 /nfs/dbraw/zinc/60/50/28/1037605028.db2.gz FGEIAICMRQYDFW-OZOXKJRCSA-N 1 3 368.525 2.979 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207616792 1037605036 /nfs/dbraw/zinc/60/50/36/1037605036.db2.gz FGEIAICMRQYDFW-OZOXKJRCSA-N 1 3 368.525 2.979 20 0 FFADHO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207624598 1037613116 /nfs/dbraw/zinc/61/31/16/1037613116.db2.gz FRLGRLOGNHOPEM-RCCFBDPRSA-N 1 3 356.514 2.503 20 0 FFADHO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(CCC[NH2+]C4CCCCC4)C[C@@H]32)C1=O ZINC001235576416 1037629948 /nfs/dbraw/zinc/62/99/48/1037629948.db2.gz QKQFQDYNNYPSPT-SLYNCCJLSA-N 1 3 360.546 2.660 20 0 FFADHO FC(F)(F)c1ccc(OC2CC[NH+](CC[C@H]3CNCCO3)CC2)cc1 ZINC001235675812 1037677615 /nfs/dbraw/zinc/67/76/15/1037677615.db2.gz UHNMAYISUSHZAF-KRWDZBQOSA-N 1 3 358.404 2.927 20 0 FFADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207849233 1037785303 /nfs/dbraw/zinc/78/53/03/1037785303.db2.gz CGISXRHMECWYFV-VQTJNVASSA-N 1 3 359.514 2.564 20 0 FFADHO Cc1c(F)ccc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1Cl ZINC001277567525 1037917459 /nfs/dbraw/zinc/91/74/59/1037917459.db2.gz RUFLQBCBXXRTSZ-IBGZPJMESA-N 1 3 367.896 2.774 20 0 FFADHO COc1ccccc1Oc1cccc(CN(C)CCN2CC[NH2+]CC2)c1 ZINC001236080539 1037922579 /nfs/dbraw/zinc/92/25/79/1037922579.db2.gz FIRMVXNPPPVDQZ-UHFFFAOYSA-N 1 3 355.482 2.825 20 0 FFADHO Fc1cc(-c2nccc(N3CC[NH2+]CC3)n2)ccc1CN1CCCCC1 ZINC001236234993 1037996488 /nfs/dbraw/zinc/99/64/88/1037996488.db2.gz QOJGOKIMNLPOJS-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO Ic1cccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314772 1038038977 /nfs/dbraw/zinc/03/89/77/1038038977.db2.gz HBUYEYZWQNFVPS-OKILXGFUSA-N 1 3 356.251 2.723 20 0 FFADHO Fc1cccc(CN(Cc2nc3c(s2)CNCC3)C2CC[NH2+]CC2)c1 ZINC001236406607 1038073370 /nfs/dbraw/zinc/07/33/70/1038073370.db2.gz BCTWTXQCKFAVTA-UHFFFAOYSA-N 1 3 360.502 2.682 20 0 FFADHO Cn1cc(CN2CCCC23CC[NH+](C2CCC4(CC2)OCCO4)CC3)cn1 ZINC001255624083 1038075008 /nfs/dbraw/zinc/07/50/08/1038075008.db2.gz FDUQYPQUYPJSLP-UHFFFAOYSA-N 1 3 374.529 2.536 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(Cl)ccnc3F)C[C@H]2CC1 ZINC001278877046 1038104288 /nfs/dbraw/zinc/10/42/88/1038104288.db2.gz SOUFLGJTLFWEKX-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(Cl)ccnc3F)C[C@H]2CC1 ZINC001278877046 1038104293 /nfs/dbraw/zinc/10/42/93/1038104293.db2.gz SOUFLGJTLFWEKX-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CO[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255677802 1038120372 /nfs/dbraw/zinc/12/03/72/1038120372.db2.gz XWKJCRVTDQELJI-NAQMCUANSA-N 1 3 357.542 2.881 20 0 FFADHO COc1cccnc1O[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001236533828 1038121579 /nfs/dbraw/zinc/12/15/79/1038121579.db2.gz BLIUMXSBSPAAFM-LJQANCHMSA-N 1 3 353.466 2.779 20 0 FFADHO CC[N@H+]1C[C@H]2CN(CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001208234415 1038160377 /nfs/dbraw/zinc/16/03/77/1038160377.db2.gz GZMSLBNWSIZQDC-OKZBNKHCSA-N 1 3 351.535 2.907 20 0 FFADHO CC[N@@H+]1C[C@H]2CN(CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001208234415 1038160381 /nfs/dbraw/zinc/16/03/81/1038160381.db2.gz GZMSLBNWSIZQDC-OKZBNKHCSA-N 1 3 351.535 2.907 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c1 ZINC001277611454 1038172209 /nfs/dbraw/zinc/17/22/09/1038172209.db2.gz CWHZBCMOMZDJQZ-LJQANCHMSA-N 1 3 369.431 2.577 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c1 ZINC001277611454 1038172213 /nfs/dbraw/zinc/17/22/13/1038172213.db2.gz CWHZBCMOMZDJQZ-LJQANCHMSA-N 1 3 369.431 2.577 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c1 ZINC001232147498 1038198244 /nfs/dbraw/zinc/19/82/44/1038198244.db2.gz ARHIJBJUCVUUPV-RXVVDRJESA-N 1 3 367.468 2.982 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c1 ZINC001232147498 1038198247 /nfs/dbraw/zinc/19/82/47/1038198247.db2.gz ARHIJBJUCVUUPV-RXVVDRJESA-N 1 3 367.468 2.982 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001255862791 1038212226 /nfs/dbraw/zinc/21/22/26/1038212226.db2.gz UZHKTBBRLKUMGN-KRWDZBQOSA-N 1 3 369.484 2.866 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001255939340 1038263656 /nfs/dbraw/zinc/26/36/56/1038263656.db2.gz CBDUKGVAZCXWQM-DLBZAZTESA-N 1 3 369.550 2.722 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001255939340 1038263664 /nfs/dbraw/zinc/26/36/64/1038263664.db2.gz CBDUKGVAZCXWQM-DLBZAZTESA-N 1 3 369.550 2.722 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001255945413 1038269153 /nfs/dbraw/zinc/26/91/53/1038269153.db2.gz FDGXHAKNKXGCDR-QGZVFWFLSA-N 1 3 367.559 2.550 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 ZINC001255952120 1038270133 /nfs/dbraw/zinc/27/01/33/1038270133.db2.gz CSTPMPBSGHEBMY-ZIAGYGMSSA-N 1 3 359.440 2.784 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@@H]2C1 ZINC001255960459 1038274812 /nfs/dbraw/zinc/27/48/12/1038274812.db2.gz SIZZXOICWGXDRV-QRFRQXIXSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001255960459 1038274813 /nfs/dbraw/zinc/27/48/13/1038274813.db2.gz SIZZXOICWGXDRV-QRFRQXIXSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001255960459 1038274815 /nfs/dbraw/zinc/27/48/15/1038274815.db2.gz SIZZXOICWGXDRV-QRFRQXIXSA-N 1 3 361.505 2.836 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1CC[C@@H](OC)[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001255963942 1038278068 /nfs/dbraw/zinc/27/80/68/1038278068.db2.gz UNTQBGMFZFZVKH-VXSCBNMQSA-N 1 3 374.573 2.723 20 0 FFADHO C[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001208412998 1038293670 /nfs/dbraw/zinc/29/36/70/1038293670.db2.gz WJZKGXMCIFPPQP-FXUDXRNXSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001208412998 1038293675 /nfs/dbraw/zinc/29/36/75/1038293675.db2.gz WJZKGXMCIFPPQP-FXUDXRNXSA-N 1 3 363.468 2.886 20 0 FFADHO CCOC(=O)N1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001256020737 1038315670 /nfs/dbraw/zinc/31/56/70/1038315670.db2.gz DMUJZDYVTYYPNY-SFHVURJKSA-N 1 3 363.477 2.858 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530312 1038389268 /nfs/dbraw/zinc/38/92/68/1038389268.db2.gz PHSZPHDMSFOZBA-DUXKGJEZSA-N 1 3 359.558 2.814 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530312 1038389281 /nfs/dbraw/zinc/38/92/81/1038389281.db2.gz PHSZPHDMSFOZBA-DUXKGJEZSA-N 1 3 359.558 2.814 20 0 FFADHO COc1cc(O)cc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001278915015 1038407252 /nfs/dbraw/zinc/40/72/52/1038407252.db2.gz GFEBXYGTPBBEDM-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO COc1cc(O)cc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001278915015 1038407257 /nfs/dbraw/zinc/40/72/57/1038407257.db2.gz GFEBXYGTPBBEDM-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2cccc(Br)c2)CC1 ZINC001256176724 1038419191 /nfs/dbraw/zinc/41/91/91/1038419191.db2.gz DEHYIDYPNRYRHO-INIZCTEOSA-N 1 3 368.363 2.996 20 0 FFADHO CC[NH+]1CCC(CN2CCC(n3c4ccccc4n(C)c3=O)CC2)CC1 ZINC001208597764 1038436316 /nfs/dbraw/zinc/43/63/16/1038436316.db2.gz NLRLZZCBGSTECZ-UHFFFAOYSA-N 1 3 356.514 2.709 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935436 1038594700 /nfs/dbraw/zinc/59/47/00/1038594700.db2.gz JKDHLFUCCCSGBD-PMACEKPBSA-N 1 3 372.509 2.743 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935436 1038594702 /nfs/dbraw/zinc/59/47/02/1038594702.db2.gz JKDHLFUCCCSGBD-PMACEKPBSA-N 1 3 372.509 2.743 20 0 FFADHO Cc1ccc(CN2CC[C@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)cc1 ZINC001256680793 1038600647 /nfs/dbraw/zinc/60/06/47/1038600647.db2.gz DAIPSUSYMRBZTL-ORFBVSJDSA-N 1 3 357.542 2.802 20 0 FFADHO Cc1cccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)n1 ZINC001256687141 1038602989 /nfs/dbraw/zinc/60/29/89/1038602989.db2.gz OBDMWWIJFDBHRB-UHFFFAOYSA-N 1 3 373.541 2.671 20 0 FFADHO Cc1nccnc1O[C@@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208961221 1038608083 /nfs/dbraw/zinc/60/80/83/1038608083.db2.gz YWUIOBNLIPIHPT-VQTJNVASSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1nccnc1O[C@@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208961221 1038608086 /nfs/dbraw/zinc/60/80/86/1038608086.db2.gz YWUIOBNLIPIHPT-VQTJNVASSA-N 1 3 352.482 2.760 20 0 FFADHO CCOC[C@@H]1CN(C2CCN(c3cc[nH+]cc3)CC2)Cc2cn(CC)nc21 ZINC001256859481 1038637665 /nfs/dbraw/zinc/63/76/65/1038637665.db2.gz WYXJFUHJNPSVLE-SFHVURJKSA-N 1 3 369.513 2.903 20 0 FFADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C1 ZINC001209149945 1038686074 /nfs/dbraw/zinc/68/60/74/1038686074.db2.gz PJBBWTOILPNXKG-LJQANCHMSA-N 1 3 372.509 2.513 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001257063118 1038697986 /nfs/dbraw/zinc/69/79/86/1038697986.db2.gz PCLFOBMYQCPTPJ-VNTMZGSJSA-N 1 3 364.530 2.541 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001257063118 1038697989 /nfs/dbraw/zinc/69/79/89/1038697989.db2.gz PCLFOBMYQCPTPJ-VNTMZGSJSA-N 1 3 364.530 2.541 20 0 FFADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCc3cccs3)CC[C@@H]21 ZINC001209225312 1038722123 /nfs/dbraw/zinc/72/21/23/1038722123.db2.gz OHRQNNYPOSMZKT-AOIWGVFYSA-N 1 3 359.543 2.756 20 0 FFADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCc3cccs3)CC[C@@H]21 ZINC001209225312 1038722131 /nfs/dbraw/zinc/72/21/31/1038722131.db2.gz OHRQNNYPOSMZKT-AOIWGVFYSA-N 1 3 359.543 2.756 20 0 FFADHO COC(=O)CCN(CCCCOCc1ccccc1)CCC[NH+](C)C ZINC001209258896 1038736990 /nfs/dbraw/zinc/73/69/90/1038736990.db2.gz LIKUSYQLURTCHL-UHFFFAOYSA-N 1 3 350.503 2.800 20 0 FFADHO O=C1[C@H]2CN(CCC[NH+]3CCCCC3)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001209450593 1038876522 /nfs/dbraw/zinc/87/65/22/1038876522.db2.gz SMZCVLPNZOHEOX-QUCCMNQESA-N 1 3 359.489 2.592 20 0 FFADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc2ccncc21 ZINC001278621729 1038892032 /nfs/dbraw/zinc/89/20/32/1038892032.db2.gz IAFONNNJLONDSI-IHWFROFDSA-N 1 3 355.482 2.940 20 0 FFADHO CCCC[NH+](CCCC)CCN[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257722050 1038940023 /nfs/dbraw/zinc/94/00/23/1038940023.db2.gz GSLNSWYPQLEWQU-KZNAEPCWSA-N 1 3 370.534 2.609 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@H](O)COCc1c(Cl)cccc1Cl ZINC001245983801 1039176836 /nfs/dbraw/zinc/17/68/36/1039176836.db2.gz ONTBHNLDMYAAKE-MJBXVCDLSA-N 1 3 361.313 2.849 20 0 FFADHO Cc1ccc(Cl)cc1C[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001245989885 1039179342 /nfs/dbraw/zinc/17/93/42/1039179342.db2.gz ZBCHEUYDRYYVNA-ZWKOTPCHSA-N 1 3 354.828 2.947 20 0 FFADHO O[C@@]1(C[NH+]2CCC3(COc4ccc(C(F)(F)F)cc43)CC2)CCCNC1 ZINC001246045312 1039215380 /nfs/dbraw/zinc/21/53/80/1039215380.db2.gz IVSFZDLRQHAXET-SFHVURJKSA-N 1 3 370.415 2.546 20 0 FFADHO COc1ccc(C[C@@H]2CCC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246049028 1039217640 /nfs/dbraw/zinc/21/76/40/1039217640.db2.gz PXNONMKCBLPYJT-ACIOBRDBSA-N 1 3 368.521 2.881 20 0 FFADHO COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246049028 1039217650 /nfs/dbraw/zinc/21/76/50/1039217650.db2.gz PXNONMKCBLPYJT-ACIOBRDBSA-N 1 3 368.521 2.881 20 0 FFADHO C[N@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1N ZINC001246066291 1039234485 /nfs/dbraw/zinc/23/44/85/1039234485.db2.gz QANOFXJZMCEEHX-GBESFXJTSA-N 1 3 362.514 2.704 20 0 FFADHO C[N@@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1N ZINC001246066291 1039234500 /nfs/dbraw/zinc/23/45/00/1039234500.db2.gz QANOFXJZMCEEHX-GBESFXJTSA-N 1 3 362.514 2.704 20 0 FFADHO CC(C)([NH3+])CN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246098852 1039244333 /nfs/dbraw/zinc/24/43/33/1039244333.db2.gz FTAKATVLACOFEE-QLFBSQMISA-N 1 3 370.534 2.782 20 0 FFADHO c1ccc(CN2CCC[C@@H]([NH2+][C@@H]3CCCC[C@@]34CNCCO4)CC2)cc1 ZINC001246161412 1039262404 /nfs/dbraw/zinc/26/24/04/1039262404.db2.gz RIBCOZGQMHPXDD-YPAWHYETSA-N 1 3 357.542 2.932 20 0 FFADHO CCOC(=O)Cc1ccc2c(c1)CN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001209894417 1039277137 /nfs/dbraw/zinc/27/71/37/1039277137.db2.gz AHDQQCUVNDGCHL-UHFFFAOYSA-N 1 3 364.489 2.996 20 0 FFADHO Cc1ccc(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c(Cl)n1 ZINC001279084736 1039281930 /nfs/dbraw/zinc/28/19/30/1039281930.db2.gz BMWAOHPTDBXKRV-UHFFFAOYSA-N 1 3 359.905 2.838 20 0 FFADHO CSC(C)(C)C[C@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258338218 1039323703 /nfs/dbraw/zinc/32/37/03/1039323703.db2.gz UMUHFNMQKOORPI-INIZCTEOSA-N 1 3 365.587 2.731 20 0 FFADHO CSC(C)(C)C[C@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258338218 1039323716 /nfs/dbraw/zinc/32/37/16/1039323716.db2.gz UMUHFNMQKOORPI-INIZCTEOSA-N 1 3 365.587 2.731 20 0 FFADHO COc1ccc(C2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246380712 1039331760 /nfs/dbraw/zinc/33/17/60/1039331760.db2.gz MDULCIRKVYJZJO-HOCLYGCPSA-N 1 3 357.420 2.546 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@H]1C ZINC001210033525 1039342241 /nfs/dbraw/zinc/34/22/41/1039342241.db2.gz RYOZTRUQIZPXLF-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@H]1C ZINC001210033525 1039342253 /nfs/dbraw/zinc/34/22/53/1039342253.db2.gz RYOZTRUQIZPXLF-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO COc1ccccc1CC1([NH2+][C@H]2CCN[C@H](C(F)(F)F)C2)CCNCC1 ZINC001246426500 1039350549 /nfs/dbraw/zinc/35/05/49/1039350549.db2.gz QLTIKBWKKDSKGM-RDJZCZTQSA-N 1 3 371.447 2.632 20 0 FFADHO COc1ccccc1CC1(N[C@H]2CCN[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246426500 1039350559 /nfs/dbraw/zinc/35/05/59/1039350559.db2.gz QLTIKBWKKDSKGM-RDJZCZTQSA-N 1 3 371.447 2.632 20 0 FFADHO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C[C@H]1CN ZINC001246544863 1039389094 /nfs/dbraw/zinc/38/90/94/1039389094.db2.gz CUWDAMVNHUJRQD-GXTWGEPZSA-N 1 3 353.869 2.610 20 0 FFADHO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C[C@H]1CN ZINC001246544863 1039389109 /nfs/dbraw/zinc/38/91/09/1039389109.db2.gz CUWDAMVNHUJRQD-GXTWGEPZSA-N 1 3 353.869 2.610 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](C3CCN(c4ccccc4)CC3)C[C@@H]1CNCCC2 ZINC001246593056 1039409054 /nfs/dbraw/zinc/40/90/54/1039409054.db2.gz FQZQWJKOXLSCFV-AVRDEDQJSA-N 1 3 371.525 2.520 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](C3CCN(c4ccccc4)CC3)C[C@@H]1CNCCC2 ZINC001246593056 1039409059 /nfs/dbraw/zinc/40/90/59/1039409059.db2.gz FQZQWJKOXLSCFV-AVRDEDQJSA-N 1 3 371.525 2.520 20 0 FFADHO COc1ccc(Cl)c2c1C[C@H](N1CCOCC3(CC[NH2+]CC3)C1)CC2 ZINC001246611500 1039414719 /nfs/dbraw/zinc/41/47/19/1039414719.db2.gz GISUNSDODZROBY-OAHLLOKOSA-N 1 3 364.917 2.908 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC001210180048 1039421448 /nfs/dbraw/zinc/42/14/48/1039421448.db2.gz XIJGUTXEIYBUPU-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC001210180048 1039421457 /nfs/dbraw/zinc/42/14/57/1039421457.db2.gz XIJGUTXEIYBUPU-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO Cc1cc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cnc1Cl ZINC001278643558 1039424276 /nfs/dbraw/zinc/42/42/76/1039424276.db2.gz WSQFSPUTBADEAP-LJQANCHMSA-N 1 3 350.938 2.893 20 0 FFADHO CN(CCC[NH3+])[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246681352 1039437095 /nfs/dbraw/zinc/43/70/95/1039437095.db2.gz NSMMNWSHKCBIQE-PMPSAXMXSA-N 1 3 370.534 2.735 20 0 FFADHO CN(CCC[NH3+])[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246681350 1039437483 /nfs/dbraw/zinc/43/74/83/1039437483.db2.gz NSMMNWSHKCBIQE-OAGGEKHMSA-N 1 3 370.534 2.735 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)[C@@H]2CC[NH2+][C@@H](C)C2)c2c1CNCC2 ZINC001246702594 1039444119 /nfs/dbraw/zinc/44/41/19/1039444119.db2.gz HJTPOKMDTJPGTQ-LSDHHAIUSA-N 1 3 374.558 2.713 20 0 FFADHO C[C@@H]1C[C@@H](N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CC[NH2+]1 ZINC001246721167 1039451384 /nfs/dbraw/zinc/45/13/84/1039451384.db2.gz KFSVNUMREWAAEY-FGTMMUONSA-N 1 3 363.571 2.944 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)CCN1 ZINC001246744459 1039459129 /nfs/dbraw/zinc/45/91/29/1039459129.db2.gz AYWMDCWQZDSJMQ-AYWYSENESA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)CCN1 ZINC001246744459 1039459138 /nfs/dbraw/zinc/45/91/38/1039459138.db2.gz AYWMDCWQZDSJMQ-AYWYSENESA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)CC[NH2+]1 ZINC001246744459 1039459146 /nfs/dbraw/zinc/45/91/46/1039459146.db2.gz AYWMDCWQZDSJMQ-AYWYSENESA-N 1 3 359.514 2.610 20 0 FFADHO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001258640204 1039468803 /nfs/dbraw/zinc/46/88/03/1039468803.db2.gz GYJVDHQQZUPEFK-XUTJKUGGSA-N 1 3 371.525 2.524 20 0 FFADHO O=C(NCC1CC1)C1=CC2(CCN(C3CC[NH2+]CC3)CC2)c2ccccc21 ZINC001246763623 1039470120 /nfs/dbraw/zinc/47/01/20/1039470120.db2.gz GCZXIRFANPLVDK-UHFFFAOYSA-N 1 3 365.521 2.695 20 0 FFADHO O=C(NCC1CC1)C1=CC2(CC[NH+](C3CCNCC3)CC2)c2ccccc21 ZINC001246763623 1039470127 /nfs/dbraw/zinc/47/01/27/1039470127.db2.gz GCZXIRFANPLVDK-UHFFFAOYSA-N 1 3 365.521 2.695 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)CC[NH2+]1 ZINC001246767786 1039473104 /nfs/dbraw/zinc/47/31/04/1039473104.db2.gz NJGMGLMLMJHTJZ-PBASOCQRSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)CCN1 ZINC001246767786 1039473108 /nfs/dbraw/zinc/47/31/08/1039473108.db2.gz NJGMGLMLMJHTJZ-PBASOCQRSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)CCN1 ZINC001246767786 1039473112 /nfs/dbraw/zinc/47/31/12/1039473112.db2.gz NJGMGLMLMJHTJZ-PBASOCQRSA-N 1 3 359.514 2.610 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@H+](C)[C@H]2CCN[C@H](C)C2)CC1 ZINC001246781966 1039478253 /nfs/dbraw/zinc/47/82/53/1039478253.db2.gz ZGGMXGCSOQTFJT-AEFFLSMTSA-N 1 3 361.530 2.741 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@@H+](C)[C@H]2CCN[C@H](C)C2)CC1 ZINC001246781966 1039478259 /nfs/dbraw/zinc/47/82/59/1039478259.db2.gz ZGGMXGCSOQTFJT-AEFFLSMTSA-N 1 3 361.530 2.741 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+]([C@@H](C)Cc3ccccc3Cl)C[C@H]1CNCC2 ZINC001246855805 1039505205 /nfs/dbraw/zinc/50/52/05/1039505205.db2.gz QDOCJNSITAIDJW-ZSZQSSIHSA-N 1 3 350.890 2.746 20 0 FFADHO CCOC(=O)[C@]12C[N@H+]([C@@H](C)Cc3ccccc3Cl)C[C@H]1CNCC2 ZINC001246855805 1039505212 /nfs/dbraw/zinc/50/52/12/1039505212.db2.gz QDOCJNSITAIDJW-ZSZQSSIHSA-N 1 3 350.890 2.746 20 0 FFADHO CCCCOC[C@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252510917 1039569588 /nfs/dbraw/zinc/56/95/88/1039569588.db2.gz SDGDAZGUZVCRRS-HXUWFJFHSA-N 1 3 361.530 2.547 20 0 FFADHO CCOc1ccncc1CN1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001278675792 1039631624 /nfs/dbraw/zinc/63/16/24/1039631624.db2.gz LGZMVZKFAWIDDY-NRFANRHFSA-N 1 3 360.546 2.720 20 0 FFADHO C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4CC5CCN4CC5)n3)c2)CC1 ZINC001247371737 1039730200 /nfs/dbraw/zinc/73/02/00/1039730200.db2.gz MVFMWVRPIPIFSD-LJQANCHMSA-N 1 3 367.497 2.641 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001252930736 1039807127 /nfs/dbraw/zinc/80/71/27/1039807127.db2.gz AVCXJFJSQVNJQX-ZJOUEHCJSA-N 1 3 374.573 2.921 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001252930736 1039807147 /nfs/dbraw/zinc/80/71/47/1039807147.db2.gz AVCXJFJSQVNJQX-ZJOUEHCJSA-N 1 3 374.573 2.921 20 0 FFADHO FC(F)(F)c1ccc(Cl)c(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247828822 1039975510 /nfs/dbraw/zinc/97/55/10/1039975510.db2.gz GFCYQEMVYWSHQA-SNVBAGLBSA-N 1 3 358.751 2.685 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001253406152 1040156619 /nfs/dbraw/zinc/15/66/19/1040156619.db2.gz AUCZNAWAILPEPT-HOTGVXAUSA-N 1 3 357.539 2.505 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCc1c[nH]c2c1cccc2Br ZINC001253408025 1040157394 /nfs/dbraw/zinc/15/73/94/1040157394.db2.gz SFRZEDQVJWMLEZ-ZDUSSCGKSA-N 1 3 368.319 2.812 20 0 FFADHO CN1CC2(C1)CC[NH+](C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)CC2 ZINC001253427637 1040174868 /nfs/dbraw/zinc/17/48/68/1040174868.db2.gz SNKLCBNYKNAEJA-LJQANCHMSA-N 1 3 374.525 2.529 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC001253947879 1040465686 /nfs/dbraw/zinc/46/56/86/1040465686.db2.gz SYWGDJFWFYCKHL-OALUTQOASA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC001253947879 1040465696 /nfs/dbraw/zinc/46/56/96/1040465696.db2.gz SYWGDJFWFYCKHL-OALUTQOASA-N 1 3 362.493 2.745 20 0 FFADHO N[C@@H](CC1CC[NH2+]CC1)c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001248899264 1040501982 /nfs/dbraw/zinc/50/19/82/1040501982.db2.gz YZDIVXJLQOXLTG-BNXPMYBGSA-N 1 3 368.485 2.588 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]CCCN1CCCCC1 ZINC001254019913 1040520839 /nfs/dbraw/zinc/52/08/39/1040520839.db2.gz RZPOIBKIKIUTCD-SFHVURJKSA-N 1 3 350.503 2.679 20 0 FFADHO OC1(C[N@@H+]2CC[C@H](c3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254037970 1040539182 /nfs/dbraw/zinc/53/91/82/1040539182.db2.gz WFPZFONXFIDCCM-NRFANRHFSA-N 1 3 351.494 2.898 20 0 FFADHO OC1(C[N@H+]2CC[C@H](c3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254037970 1040539199 /nfs/dbraw/zinc/53/91/99/1040539199.db2.gz WFPZFONXFIDCCM-NRFANRHFSA-N 1 3 351.494 2.898 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1 ZINC001254520388 1040767619 /nfs/dbraw/zinc/76/76/19/1040767619.db2.gz XKMWJOHNQZZAGD-SFHVURJKSA-N 1 3 363.571 2.899 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1 ZINC001254520388 1040767630 /nfs/dbraw/zinc/76/76/30/1040767630.db2.gz XKMWJOHNQZZAGD-SFHVURJKSA-N 1 3 363.571 2.899 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)CC1 ZINC001254519676 1040770327 /nfs/dbraw/zinc/77/03/27/1040770327.db2.gz UULHCRWFNNXTSM-ILWGZMRPSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)CC1 ZINC001254519676 1040770343 /nfs/dbraw/zinc/77/03/43/1040770343.db2.gz UULHCRWFNNXTSM-ILWGZMRPSA-N 1 3 373.541 2.954 20 0 FFADHO CCSc1ncc2cccc(CN3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)n21 ZINC001249500261 1040823000 /nfs/dbraw/zinc/82/30/00/1040823000.db2.gz WMMYQDOAMXCJSC-RBUKOAKNSA-N 1 3 373.570 2.657 20 0 FFADHO CCCCN(C)CCC[NH2+][C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254802111 1040967121 /nfs/dbraw/zinc/96/71/21/1040967121.db2.gz HEMUZNZELODWKB-KRWDZBQOSA-N 1 3 369.550 2.867 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868365 1041010861 /nfs/dbraw/zinc/01/08/61/1041010861.db2.gz UBSHBZHQDFJNAI-WOJBJXKFSA-N 1 3 365.562 2.648 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)cc2)CC1 ZINC001254925420 1041048599 /nfs/dbraw/zinc/04/85/99/1041048599.db2.gz RNIPSYRHMQBBMF-AERCQKQUSA-N 1 3 355.526 2.671 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCN([C@H]3CCSC3)CC2)C1 ZINC001255296380 1041258435 /nfs/dbraw/zinc/25/84/35/1041258435.db2.gz SSFXWGNGAAJNRV-ZBFHGGJFSA-N 1 3 355.548 2.555 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CCN([C@H]3CCSC3)CC2)C1 ZINC001255296380 1041258451 /nfs/dbraw/zinc/25/84/51/1041258451.db2.gz SSFXWGNGAAJNRV-ZBFHGGJFSA-N 1 3 355.548 2.555 20 0 FFADHO COC(=O)c1ccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)s1 ZINC001278584335 1041260073 /nfs/dbraw/zinc/26/00/73/1041260073.db2.gz ZDNDMRQVBSJWOF-MOPGFXCFSA-N 1 3 365.543 2.621 20 0 FFADHO CC1=NC2(CCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)C(=O)N1C ZINC001255409566 1041326860 /nfs/dbraw/zinc/32/68/60/1041326860.db2.gz IADIEHOBUKFPPQ-FQEVSTJZSA-N 1 3 368.525 2.766 20 0 FFADHO CC1=NC2(CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)C(=O)N1C ZINC001255409566 1041326866 /nfs/dbraw/zinc/32/68/66/1041326866.db2.gz IADIEHOBUKFPPQ-FQEVSTJZSA-N 1 3 368.525 2.766 20 0 FFADHO COC1CCC([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CC1 ZINC001255458249 1041348938 /nfs/dbraw/zinc/34/89/38/1041348938.db2.gz JVJFOEMUGPOFNG-UHFFFAOYSA-N 1 3 373.541 2.954 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001214610598 1041503763 /nfs/dbraw/zinc/50/37/63/1041503763.db2.gz ALPVCCWACLBHLT-HMXCVIKNSA-N 1 3 357.542 2.929 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001214754855 1041563482 /nfs/dbraw/zinc/56/34/82/1041563482.db2.gz JKDSXTJQIJHBME-JEBQAFNWSA-N 1 3 369.550 2.981 20 0 FFADHO C[NH2+]C1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC1 ZINC001214985986 1041635962 /nfs/dbraw/zinc/63/59/62/1041635962.db2.gz MYZWFNOXSNBDFU-UHFFFAOYSA-N 1 3 362.543 2.542 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001214999651 1041639982 /nfs/dbraw/zinc/63/99/82/1041639982.db2.gz MTBLWELEAQJANG-MDASCCDHSA-N 1 3 361.505 2.980 20 0 FFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215540631 1041820200 /nfs/dbraw/zinc/82/02/00/1041820200.db2.gz OJSJXEIUFIETAA-SVFBPWRDSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCc1ccccc1Cl ZINC001215680826 1041858358 /nfs/dbraw/zinc/85/83/58/1041858358.db2.gz KUTMCRPRLDTORH-RDTXWAMCSA-N 1 3 360.889 2.675 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC(C)C)C1 ZINC001215993704 1041925428 /nfs/dbraw/zinc/92/54/28/1041925428.db2.gz BZTYKPZRWLYLAV-IEBWSBKVSA-N 1 3 361.530 2.752 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(OC)c2Cl)C1 ZINC001216225161 1041982458 /nfs/dbraw/zinc/98/24/58/1041982458.db2.gz ASODNYBCTYEVCG-GDBMZVCRSA-N 1 3 367.921 2.627 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(OC)c2Cl)C1 ZINC001216225161 1041982460 /nfs/dbraw/zinc/98/24/60/1041982460.db2.gz ASODNYBCTYEVCG-GDBMZVCRSA-N 1 3 367.921 2.627 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC001216499036 1042042431 /nfs/dbraw/zinc/04/24/31/1042042431.db2.gz DSDHNFSRCJWIFK-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CSCC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001263167507 1042145559 /nfs/dbraw/zinc/14/55/59/1042145559.db2.gz MQOZRIFCZNCAFP-ZIAGYGMSSA-N 1 3 364.342 2.793 20 0 FFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CCC[NH2+]CC1CC(F)(F)C1 ZINC001264021131 1042586640 /nfs/dbraw/zinc/58/66/40/1042586640.db2.gz JIQBLAYIQFCADQ-RHSMWYFYSA-N 1 3 368.472 2.994 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1Cc1cccnc1C ZINC001264611310 1042743790 /nfs/dbraw/zinc/74/37/90/1042743790.db2.gz BUOHFAQSHSCNLP-HSALFYBXSA-N 1 3 358.530 2.734 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CCN1Cc1cccnc1C ZINC001264611310 1042743796 /nfs/dbraw/zinc/74/37/96/1042743796.db2.gz BUOHFAQSHSCNLP-HSALFYBXSA-N 1 3 358.530 2.734 20 0 FFADHO CCOc1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1 ZINC001279152239 1042922483 /nfs/dbraw/zinc/92/24/83/1042922483.db2.gz FMQVPLPXDOUMQE-UHFFFAOYSA-N 1 3 354.498 2.880 20 0 FFADHO CCOc1ccc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1OC ZINC001279234319 1042957897 /nfs/dbraw/zinc/95/78/97/1042957897.db2.gz CARDFWWNINHTAX-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(OC(F)(F)F)cc1 ZINC001279331955 1043006898 /nfs/dbraw/zinc/00/68/98/1043006898.db2.gz ZRTFPUKDBAWDJE-IRXDYDNUSA-N 1 3 357.420 2.795 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(OC(F)(F)F)cc1 ZINC001279331955 1043006901 /nfs/dbraw/zinc/00/69/01/1043006901.db2.gz ZRTFPUKDBAWDJE-IRXDYDNUSA-N 1 3 357.420 2.795 20 0 FFADHO Cc1nccnc1C[NH2+][C@@]12CC[C@@](NCc3cccc(=O)[nH]3)(C1)CCC2 ZINC001279336814 1043010356 /nfs/dbraw/zinc/01/03/56/1043010356.db2.gz GUOXHPLSSTTYBL-UXHICEINSA-N 1 3 353.470 2.610 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCCN(Cc3ccc(CN4CCOCC4)cc3)C2)C1 ZINC001279394592 1043049770 /nfs/dbraw/zinc/04/97/70/1043049770.db2.gz WPWBUNMPIBHRDW-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO C[N@H+]1CCC[C@]2(CCCN(Cc3ccc(CN4CCOCC4)cc3)C2)C1 ZINC001279394592 1043049776 /nfs/dbraw/zinc/04/97/76/1043049776.db2.gz WPWBUNMPIBHRDW-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN1CCC[C@]2(CCC[N@H+](Cc3ccc(CN4CCOCC4)cc3)C2)C1 ZINC001279394592 1043049782 /nfs/dbraw/zinc/04/97/82/1043049782.db2.gz WPWBUNMPIBHRDW-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN1CCC[C@]2(CCC[N@@H+](Cc3ccc(CN4CCOCC4)cc3)C2)C1 ZINC001279394592 1043049790 /nfs/dbraw/zinc/04/97/90/1043049790.db2.gz WPWBUNMPIBHRDW-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-n2cccn2)cc1 ZINC001279414282 1043079025 /nfs/dbraw/zinc/07/90/25/1043079025.db2.gz BPRKLUICOOVEJT-VCSGRIEYSA-N 1 3 353.514 2.519 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccncc3C(F)(F)F)CC2)CC1 ZINC001237303186 1043099496 /nfs/dbraw/zinc/09/94/96/1043099496.db2.gz RCIYYCSQHLQAIF-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cccc(C)c2OC(C)C)CCC12C[NH2+]C2 ZINC001237431094 1043156606 /nfs/dbraw/zinc/15/66/06/1043156606.db2.gz MZJYUJVILCXHTB-GOSISDBHSA-N 1 3 360.498 2.757 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc3sc(C)nc3c2)CCC12C[NH2+]C2 ZINC001237432542 1043157490 /nfs/dbraw/zinc/15/74/90/1043157490.db2.gz VPVYEIVLBCSLPR-OAHLLOKOSA-N 1 3 359.495 2.579 20 0 FFADHO COC(C)(C)CCC[C@H](C)CCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001279494739 1043183450 /nfs/dbraw/zinc/18/34/50/1043183450.db2.gz MCLBMNGMMAEJCZ-SLFFLAALSA-N 1 3 369.594 2.555 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCc1ccc(Cl)cc1)CC2 ZINC001279527274 1043226724 /nfs/dbraw/zinc/22/67/24/1043226724.db2.gz WAEBZFCVQHJAJM-UHFFFAOYSA-N 1 3 363.933 2.759 20 0 FFADHO COc1cc(C)c(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001279592791 1043308789 /nfs/dbraw/zinc/30/87/89/1043308789.db2.gz TWVMJWXEOJUELJ-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO COc1cc(C)c(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001279592791 1043308795 /nfs/dbraw/zinc/30/87/95/1043308795.db2.gz TWVMJWXEOJUELJ-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO Cc1cccc(CC[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)c1 ZINC001279625428 1043361460 /nfs/dbraw/zinc/36/14/60/1043361460.db2.gz ABOURJYGQABXNY-UHFFFAOYSA-N 1 3 357.542 2.804 20 0 FFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cncc(Cl)c3)C2)C1 ZINC001279641271 1043384422 /nfs/dbraw/zinc/38/44/22/1043384422.db2.gz GXFLECIVWXIAST-IBGZPJMESA-N 1 3 350.938 2.975 20 0 FFADHO Cc1cccc(NCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC001311342361 1043896036 /nfs/dbraw/zinc/89/60/36/1043896036.db2.gz BWCXXBJTPSZWJJ-QGZVFWFLSA-N 1 3 371.485 2.921 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001311401519 1043909884 /nfs/dbraw/zinc/90/98/84/1043909884.db2.gz WUTCTHHZIPLZID-IPMKNSEASA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001311401519 1043909888 /nfs/dbraw/zinc/90/98/88/1043909888.db2.gz WUTCTHHZIPLZID-IPMKNSEASA-N 1 3 360.546 2.927 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(Cc1c(C)cccc1C)C2 ZINC001280014738 1044087561 /nfs/dbraw/zinc/08/75/61/1044087561.db2.gz SSIXQOLPAJSEAB-HXUWFJFHSA-N 1 3 357.542 2.926 20 0 FFADHO CN(C)CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001239307810 1044097247 /nfs/dbraw/zinc/09/72/47/1044097247.db2.gz JDMWSVATMLARDH-OAHLLOKOSA-N 1 3 358.408 2.853 20 0 FFADHO CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3c2cncn2C)cc1 ZINC001280120524 1044249011 /nfs/dbraw/zinc/24/90/11/1044249011.db2.gz QHKVZPQRQYTHBE-YQQQUEKLSA-N 1 3 353.470 2.668 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(CCC(=O)c1ccc(F)cc1)C2 ZINC001280175066 1044349601 /nfs/dbraw/zinc/34/96/01/1044349601.db2.gz JAMNWMCCVJRWSK-OAQYLSRUSA-N 1 3 361.505 2.748 20 0 FFADHO C[NH+]1CCC(C)(CN2CC[C@H]3C[C@]32C(=O)NC2CCC(F)CC2)CC1 ZINC001280211463 1044405165 /nfs/dbraw/zinc/40/51/65/1044405165.db2.gz UHAPSWBAPMYLFF-MVBPIPQGSA-N 1 3 351.510 2.580 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3c(F)cccc3F)CC2)CC1 ZINC001280259089 1044486457 /nfs/dbraw/zinc/48/64/57/1044486457.db2.gz JERDFSMVPSFRNZ-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO CCC[C@H](C)CN1CCC([NH+]2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001280258753 1044486473 /nfs/dbraw/zinc/48/64/73/1044486473.db2.gz NDXDWTKUQWACFT-HNNXBMFYSA-N 1 3 359.505 2.980 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC001318721814 1044838386 /nfs/dbraw/zinc/83/83/86/1044838386.db2.gz BYBZULMNBSXROI-RTWAWAEBSA-N 1 3 370.541 2.703 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC001318721814 1044838404 /nfs/dbraw/zinc/83/84/04/1044838404.db2.gz BYBZULMNBSXROI-RTWAWAEBSA-N 1 3 370.541 2.703 20 0 FFADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC001318763759 1044858656 /nfs/dbraw/zinc/85/86/56/1044858656.db2.gz CQYBBYZMLKLJBK-CQSZACIVSA-N 1 3 365.468 2.743 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccc([O-])cn3)C[C@H]2CC1 ZINC001278384108 1045156398 /nfs/dbraw/zinc/15/63/98/1045156398.db2.gz AMUURHTUZNDILA-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc([O-])cn3)C[C@H]2CC1 ZINC001278384108 1045156401 /nfs/dbraw/zinc/15/64/01/1045156401.db2.gz AMUURHTUZNDILA-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc([O-])cn3)C[C@H]2CC1 ZINC001278384108 1045156404 /nfs/dbraw/zinc/15/64/04/1045156404.db2.gz AMUURHTUZNDILA-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccc([O-])cn3)C[C@H]2CC1 ZINC001278384108 1045156407 /nfs/dbraw/zinc/15/64/07/1045156407.db2.gz AMUURHTUZNDILA-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO COc1cccc(/C=C\CCN2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001323228440 1045512841 /nfs/dbraw/zinc/51/28/41/1045512841.db2.gz XTUGDUHTMACZGY-MZQYMUMISA-N 1 3 371.525 2.629 20 0 FFADHO COc1cccc(/C=C\CCN2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001323228440 1045512847 /nfs/dbraw/zinc/51/28/47/1045512847.db2.gz XTUGDUHTMACZGY-MZQYMUMISA-N 1 3 371.525 2.629 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001321185133 1045579264 /nfs/dbraw/zinc/57/92/64/1045579264.db2.gz ODWCWXLUIOGQQL-HBMCJLEFSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001321185133 1045579272 /nfs/dbraw/zinc/57/92/72/1045579272.db2.gz ODWCWXLUIOGQQL-HBMCJLEFSA-N 1 3 355.526 2.841 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccc(Cl)c(F)c3)CC2)CC[N@@H+]1C ZINC001323440746 1045590920 /nfs/dbraw/zinc/59/09/20/1045590920.db2.gz CRRXAQHDCBEHQV-WMLDXEAASA-N 1 3 367.896 2.948 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccc(Cl)c(F)c3)CC2)CC[N@H+]1C ZINC001323440746 1045590929 /nfs/dbraw/zinc/59/09/29/1045590929.db2.gz CRRXAQHDCBEHQV-WMLDXEAASA-N 1 3 367.896 2.948 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CCN1Cc1ccccc1 ZINC001323154658 1046364177 /nfs/dbraw/zinc/36/41/77/1046364177.db2.gz BEIWMTRBWFDJAS-VBSBHUPXSA-N 1 3 358.530 2.821 20 0 FFADHO Cc1nn(CCO)c(C)c1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001326200932 1046807653 /nfs/dbraw/zinc/80/76/53/1046807653.db2.gz FXDUBMCBFZXPFN-RBBKRZOGSA-N 1 3 370.541 2.664 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001326311002 1046867597 /nfs/dbraw/zinc/86/75/97/1046867597.db2.gz NTTIYCGHZBFXMM-KRWDZBQOSA-N 1 3 359.514 2.680 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)cc2)CC1 ZINC001328132330 1048193174 /nfs/dbraw/zinc/19/31/74/1048193174.db2.gz SYMBCRUFYUDGFE-FQEVSTJZSA-N 1 3 370.472 2.649 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001332359335 1048361648 /nfs/dbraw/zinc/36/16/48/1048361648.db2.gz MXROXFZVMOKDRQ-UHFFFAOYSA-N 1 3 360.424 2.635 20 0 FFADHO CN(C)[C@H](CNC(=O)N1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)c1ccccc1 ZINC001333666821 1049040444 /nfs/dbraw/zinc/04/04/44/1049040444.db2.gz QMZNPABGUJXWNX-UAFMIMERSA-N 1 3 358.530 2.661 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)C1 ZINC001333681751 1049051568 /nfs/dbraw/zinc/05/15/68/1049051568.db2.gz YENQOMOCMYDMFL-HCXYKTFWSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)C1 ZINC001333681751 1049051578 /nfs/dbraw/zinc/05/15/78/1049051578.db2.gz YENQOMOCMYDMFL-HCXYKTFWSA-N 1 3 350.551 2.623 20 0 FFADHO CCCC[N@H+](C)CC1CCN(c2nnc(C)n2CCN2CC=CCC2)CC1 ZINC001294205937 1049709065 /nfs/dbraw/zinc/70/90/65/1049709065.db2.gz ISKPPTSWSRMFBG-UHFFFAOYSA-N 1 3 374.577 2.797 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(c2nnc(C)n2CCN2CC=CCC2)CC1 ZINC001294205937 1049709074 /nfs/dbraw/zinc/70/90/74/1049709074.db2.gz ISKPPTSWSRMFBG-UHFFFAOYSA-N 1 3 374.577 2.797 20 0 FFADHO CC(C)Cc1nnc(N2CCN(CC(C)C)CC2)n1CC[N@H+](C)C(C)C ZINC001541474492 1071110250 /nfs/dbraw/zinc/11/02/50/1071110250.db2.gz XFLLLLTUHAAYBW-UHFFFAOYSA-N 1 3 364.582 2.595 20 0 FFADHO CC(C)Cc1nnc(N2CCN(CC(C)C)CC2)n1CC[N@@H+](C)C(C)C ZINC001541474492 1071110254 /nfs/dbraw/zinc/11/02/54/1071110254.db2.gz XFLLLLTUHAAYBW-UHFFFAOYSA-N 1 3 364.582 2.595 20 0 FFADHO CCN(C(=O)c1ccn(CCC[NH3+])n1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001340056129 1050464505 /nfs/dbraw/zinc/46/45/05/1050464505.db2.gz HHAOUJHCUBXDBT-PKOBYXMFSA-N 1 3 369.513 2.530 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc(Cl)n1 ZINC001342097223 1050692459 /nfs/dbraw/zinc/69/24/59/1050692459.db2.gz VBPAZPBEJRGMMN-JKSUJKDBSA-N 1 3 364.921 2.943 20 0 FFADHO CC1CCN(CC(=O)Nc2ccc3nc(C4CC[NH2+]CC4)[nH]c3c2)CC1 ZINC001340903352 1051232531 /nfs/dbraw/zinc/23/25/31/1051232531.db2.gz NBZHDXRGUZRQQY-UHFFFAOYSA-N 1 3 355.486 2.700 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001342640545 1051246189 /nfs/dbraw/zinc/24/61/89/1051246189.db2.gz VWMAOWCYFLMWEX-GTAWCEEGSA-N 1 3 358.530 2.679 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)OCCNC2 ZINC001340929178 1051258215 /nfs/dbraw/zinc/25/82/15/1051258215.db2.gz JTDBCYKSAHANLB-UHFFFAOYSA-N 1 3 371.456 2.512 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341071527 1051414178 /nfs/dbraw/zinc/41/41/78/1051414178.db2.gz BPBHCWWLDSYYGW-KBPBESRZSA-N 1 3 369.387 2.846 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001343190126 1052043709 /nfs/dbraw/zinc/04/37/09/1052043709.db2.gz XGMZWVWSPSGVDS-GFOJFJKKSA-N 1 3 372.557 2.879 20 0 FFADHO CCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001307056043 1052246023 /nfs/dbraw/zinc/24/60/23/1052246023.db2.gz SYQBFMHTXATFJM-FQEVSTJZSA-N 1 3 374.577 2.916 20 0 FFADHO CCC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001307056043 1052246027 /nfs/dbraw/zinc/24/60/27/1052246027.db2.gz SYQBFMHTXATFJM-FQEVSTJZSA-N 1 3 374.577 2.916 20 0 FFADHO CN1C[C@@H](CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)OC1=O ZINC001307885378 1052362204 /nfs/dbraw/zinc/36/22/04/1052362204.db2.gz IRSJRLLDKZVPBZ-IBGZPJMESA-N 1 3 357.498 2.815 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC001343745142 1052399065 /nfs/dbraw/zinc/39/90/65/1052399065.db2.gz ORMAZVHDPLWERE-KRWDZBQOSA-N 1 3 373.888 2.614 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1ccccc1C(F)(F)F ZINC001335411995 1053345301 /nfs/dbraw/zinc/34/53/01/1053345301.db2.gz FPBWRUCADZGXGL-GOSISDBHSA-N 1 3 372.431 2.972 20 0 FFADHO O[C@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1cccc(C(F)(F)F)c1 ZINC001335470604 1053385429 /nfs/dbraw/zinc/38/54/29/1053385429.db2.gz VVOMWOJXBJQWAM-OWCLPIDISA-N 1 3 358.404 2.662 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC001349448385 1055267239 /nfs/dbraw/zinc/26/72/39/1055267239.db2.gz ZMVHPFBVTTXVCT-GBESFXJTSA-N 1 3 353.551 2.504 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC001349448385 1055267246 /nfs/dbraw/zinc/26/72/46/1055267246.db2.gz ZMVHPFBVTTXVCT-GBESFXJTSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)N2CCCC2)cc1 ZINC001338491948 1055564946 /nfs/dbraw/zinc/56/49/46/1055564946.db2.gz QEVRFHCVNWVOFU-RLLQIKCJSA-N 1 3 358.530 2.758 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CC[N@@H+](C(C)(C)C)C3)c2cc1C ZINC001356609551 1055612628 /nfs/dbraw/zinc/61/26/28/1055612628.db2.gz AOTJDBZPVBONSS-ROUUACIJSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CC[N@H+](C(C)(C)C)C3)c2cc1C ZINC001356609551 1055612634 /nfs/dbraw/zinc/61/26/34/1055612634.db2.gz AOTJDBZPVBONSS-ROUUACIJSA-N 1 3 358.530 2.724 20 0 FFADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2c1OCCNC2 ZINC001357325927 1055866646 /nfs/dbraw/zinc/86/66/46/1055866646.db2.gz GABPYMGWNUUKGA-UHFFFAOYSA-N 1 3 365.477 2.563 20 0 FFADHO CCOc1ccccc1[C@@H](N)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001357327849 1055867794 /nfs/dbraw/zinc/86/77/94/1055867794.db2.gz YZKPEJRBRUCKRC-RBUKOAKNSA-N 1 3 355.482 2.894 20 0 FFADHO CCN(CC)[C@H](CNC(=O)C1(C2CC[NH2+]CC2)CC1)c1cccc(OC)c1 ZINC001357345560 1055871689 /nfs/dbraw/zinc/87/16/89/1055871689.db2.gz AUNHLVRAHVAFMR-HXUWFJFHSA-N 1 3 373.541 2.974 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001357856445 1056041344 /nfs/dbraw/zinc/04/13/44/1056041344.db2.gz PBBONVHQPKNZEZ-RBUKOAKNSA-N 1 3 357.498 2.846 20 0 FFADHO C[C@H]1C[C@H](NC(=S)NCCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001200439756 1058182386 /nfs/dbraw/zinc/18/23/86/1058182386.db2.gz WJPBZTDBTDWTQY-AZUAARDMSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@H]1C[C@H](NC(=S)NCCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001200439756 1058182389 /nfs/dbraw/zinc/18/23/89/1058182389.db2.gz WJPBZTDBTDWTQY-AZUAARDMSA-N 1 3 374.598 2.990 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001502255206 1058796999 /nfs/dbraw/zinc/79/69/99/1058796999.db2.gz ICRSZALCAMOQHZ-ZWKOTPCHSA-N 1 3 374.577 2.950 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001515802074 1059803126 /nfs/dbraw/zinc/80/31/26/1059803126.db2.gz KOSLVYFJXKNSLF-SJORKVTESA-N 1 3 350.555 2.661 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001515802074 1059803146 /nfs/dbraw/zinc/80/31/46/1059803146.db2.gz KOSLVYFJXKNSLF-SJORKVTESA-N 1 3 350.555 2.661 20 0 FFADHO CC(C)(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001508518234 1059880108 /nfs/dbraw/zinc/88/01/08/1059880108.db2.gz PORPNXXTGKFQAM-UHFFFAOYSA-N 1 3 374.577 2.736 20 0 FFADHO CCc1nc(OC)ccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001355396079 1060203066 /nfs/dbraw/zinc/20/30/66/1060203066.db2.gz PHRSFRJKWJQQGL-UHFFFAOYSA-N 1 3 374.529 2.787 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001521562333 1060970513 /nfs/dbraw/zinc/97/05/13/1060970513.db2.gz XOAWQYIHMPJGIX-VAMGGRTRSA-N 1 3 365.562 2.504 20 0 FFADHO Cn1nnc2cc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)ccc21 ZINC001461193448 1061246678 /nfs/dbraw/zinc/24/66/78/1061246678.db2.gz ASBDPIHWIMXYMZ-UHFFFAOYSA-N 1 3 365.481 2.733 20 0 FFADHO Cc1sc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Br ZINC001461480589 1061330568 /nfs/dbraw/zinc/33/05/68/1061330568.db2.gz XBNVZSYPKQGZOA-UHFFFAOYSA-N 1 3 360.365 2.935 20 0 FFADHO Cn1nc(CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)c2ccccc21 ZINC001462133521 1061514139 /nfs/dbraw/zinc/51/41/39/1061514139.db2.gz WSHRUYYVHDEVSD-UHFFFAOYSA-N 1 3 356.514 2.739 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC001478283676 1061959876 /nfs/dbraw/zinc/95/98/76/1061959876.db2.gz LRXHGSQMWZYYCB-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC001478283676 1061959892 /nfs/dbraw/zinc/95/98/92/1061959892.db2.gz LRXHGSQMWZYYCB-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCN1C ZINC001478285179 1061963481 /nfs/dbraw/zinc/96/34/81/1061963481.db2.gz UPKAVGGQCRZQDR-OBJCFNGXSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCN1C ZINC001478285179 1061963492 /nfs/dbraw/zinc/96/34/92/1061963492.db2.gz UPKAVGGQCRZQDR-OBJCFNGXSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC001479101524 1062225493 /nfs/dbraw/zinc/22/54/93/1062225493.db2.gz FIFVVBTYIBKIFE-ICSRJNTNSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC001479101524 1062225525 /nfs/dbraw/zinc/22/55/25/1062225525.db2.gz FIFVVBTYIBKIFE-ICSRJNTNSA-N 1 3 358.530 2.540 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001479157063 1062259007 /nfs/dbraw/zinc/25/90/07/1062259007.db2.gz SSDFAVYGSCPVPP-LEWJYISDSA-N 1 3 370.541 2.839 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(C(C)C)nc2C)CC[N@@H+]1C ZINC001493552160 1063175402 /nfs/dbraw/zinc/17/54/02/1063175402.db2.gz YJJSOJFECFGGND-AZUAARDMSA-N 1 3 360.546 2.792 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(C(C)C)nc2C)CC[N@H+]1C ZINC001493552160 1063175415 /nfs/dbraw/zinc/17/54/15/1063175415.db2.gz YJJSOJFECFGGND-AZUAARDMSA-N 1 3 360.546 2.792 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001467845665 1063866851 /nfs/dbraw/zinc/86/68/51/1063866851.db2.gz JSZZVDGYWFBHAM-HLLBOEOZSA-N 1 3 351.922 2.974 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC001467937059 1063887242 /nfs/dbraw/zinc/88/72/42/1063887242.db2.gz WKTNEAVYWRJWHB-FQEVSTJZSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC001469319325 1064126524 /nfs/dbraw/zinc/12/65/24/1064126524.db2.gz UCVLRRAFKWQGAO-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001470013221 1064244473 /nfs/dbraw/zinc/24/44/73/1064244473.db2.gz UZPWNXZECRXSGW-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001470013221 1064244478 /nfs/dbraw/zinc/24/44/78/1064244478.db2.gz UZPWNXZECRXSGW-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC001470079331 1064254088 /nfs/dbraw/zinc/25/40/88/1064254088.db2.gz HTUKSBREBVGVSH-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC001470079331 1064254094 /nfs/dbraw/zinc/25/40/94/1064254094.db2.gz HTUKSBREBVGVSH-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC001470653705 1064400766 /nfs/dbraw/zinc/40/07/66/1064400766.db2.gz OUYBAMCRDVXUBV-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001470653705 1064400771 /nfs/dbraw/zinc/40/07/71/1064400771.db2.gz OUYBAMCRDVXUBV-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CO[C@H](CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)[C@H]1CCOC1 ZINC001473718087 1065329735 /nfs/dbraw/zinc/32/97/35/1065329735.db2.gz DWJZAUPHLKYVOU-LNRXMEIDSA-N 1 3 358.526 2.882 20 0 FFADHO CO[C@H](CN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)[C@H]1CCOC1 ZINC001473718087 1065329740 /nfs/dbraw/zinc/32/97/40/1065329740.db2.gz DWJZAUPHLKYVOU-LNRXMEIDSA-N 1 3 358.526 2.882 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001474759181 1065600218 /nfs/dbraw/zinc/60/02/18/1065600218.db2.gz DBJPVFMPYNODAT-QGZVFWFLSA-N 1 3 370.582 2.686 20 0 FFADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H]1CC2(CC2)C[NH2+]1 ZINC001577019106 1078295056 /nfs/dbraw/zinc/29/50/56/1078295056.db2.gz SQNAQAQQASHPMH-XLAORIBOSA-N 1 3 374.577 2.853 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC001577084953 1078302263 /nfs/dbraw/zinc/30/22/63/1078302263.db2.gz RXRIMJJBBKKIDN-NSISKUIASA-N 1 3 358.530 2.592 20 0 FFADHO COc1ccccc1[C@@H](N)CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC001579303374 1078614757 /nfs/dbraw/zinc/61/47/57/1078614757.db2.gz VDKFABQELDURCM-KRWDZBQOSA-N 1 3 356.470 2.621 20 0 FFADHO C[C@@H]1CN(Cc2nc3ccc(Br)cc3n2C)C[C@H]1CC[NH3+] ZINC001579441828 1078629828 /nfs/dbraw/zinc/62/98/28/1078629828.db2.gz ZAECSEDIUBAOMW-VXGBXAGGSA-N 1 3 351.292 2.753 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC001580185268 1078761844 /nfs/dbraw/zinc/76/18/44/1078761844.db2.gz VHILQDCPBHNOQV-WIYYLYMNSA-N 1 3 352.482 2.862 20 0 FFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC001580185267 1078761948 /nfs/dbraw/zinc/76/19/48/1078761948.db2.gz VHILQDCPBHNOQV-RXVVDRJESA-N 1 3 352.482 2.862 20 0 FFADHO CN1C(=O)C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]1c1ccncc1 ZINC001549189914 1073683245 /nfs/dbraw/zinc/68/32/45/1073683245.db2.gz VDPPGMHAPUQFII-GCJKJVERSA-N 1 3 370.541 2.988 20 0 FFADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC001550348510 1074223029 /nfs/dbraw/zinc/22/30/29/1074223029.db2.gz ABFDXPJROXCTMH-HUYLIWGRSA-N 1 3 369.513 2.833 20 0 FFADHO Cc1ccnc(-c2noc(CC3CCN(C[C@@H]4C[NH2+]C[C@@H]4C)CC3)n2)c1 ZINC001550352830 1074224680 /nfs/dbraw/zinc/22/46/80/1074224680.db2.gz GPGMHSPHKCHUNU-RDJZCZTQSA-N 1 3 355.486 2.550 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnn(-c3ccc(F)cc3)c1)[C@@H](O)C2 ZINC001550423079 1074261550 /nfs/dbraw/zinc/26/15/50/1074261550.db2.gz HPILOBWOEPOWEL-ANULTFPQSA-N 1 3 372.488 2.581 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnn(-c3ccc(F)cc3)c1)[C@@H](O)C2 ZINC001550423079 1074261555 /nfs/dbraw/zinc/26/15/55/1074261555.db2.gz HPILOBWOEPOWEL-ANULTFPQSA-N 1 3 372.488 2.581 20 0 FFADHO C[NH+](C)[C@@H](CC(=O)NC1CCC(C)(N2CCOCC2)CC1)c1ccccc1 ZINC001551160711 1074627101 /nfs/dbraw/zinc/62/71/01/1074627101.db2.gz RIIYKNBGSOBOTE-FUHYEJFZSA-N 1 3 373.541 2.829 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC001551575750 1074760727 /nfs/dbraw/zinc/76/07/27/1074760727.db2.gz ZFMLPOYHZCYAJS-FAIWXJIUSA-N 1 3 356.514 2.781 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001552396673 1075072485 /nfs/dbraw/zinc/07/24/85/1075072485.db2.gz SIRRRTWNRAOGIU-AABGKKOBSA-N 1 3 353.441 2.622 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](C4CC4)C[C@@H]3C3CC3)CC2)CC1 ZINC001552994916 1075188839 /nfs/dbraw/zinc/18/88/39/1075188839.db2.gz HAAGGGNUDGBPJY-GHTZIAJQSA-N 1 3 374.573 2.765 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC001553552554 1075329779 /nfs/dbraw/zinc/32/97/79/1075329779.db2.gz FQQNTXNRPFWSMW-QGZVFWFLSA-N 1 3 364.559 2.921 20 0 FFADHO C[NH+]1CCC2(CCN(CC(=O)N(Cc3ccccc3)C3CC3)CC2)CC1 ZINC001560056690 1076219018 /nfs/dbraw/zinc/21/90/18/1076219018.db2.gz RWDGTKATGJPXTM-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CC1CCC2(CC1)OC[C@H](C[NH2+]C1CCC(C)(N3CCOCC3)CC1)O2 ZINC001560710185 1076293114 /nfs/dbraw/zinc/29/31/14/1076293114.db2.gz BNAGEBQQLWSCFI-IOWXEBBTSA-N 1 3 366.546 2.931 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCc3ccccc3NC2=O)CC1 ZINC001560909250 1076309546 /nfs/dbraw/zinc/30/95/46/1076309546.db2.gz OPGICJPQSKVSBR-BIXGBWIQSA-N 1 3 357.498 2.563 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC001564878869 1076666648 /nfs/dbraw/zinc/66/66/48/1076666648.db2.gz RIGQVAOFOYEYOK-HBMCJLEFSA-N 1 3 372.557 2.691 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC001564878869 1076666650 /nfs/dbraw/zinc/66/66/50/1076666650.db2.gz RIGQVAOFOYEYOK-HBMCJLEFSA-N 1 3 372.557 2.691 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001565426380 1076727772 /nfs/dbraw/zinc/72/77/72/1076727772.db2.gz BKNQEICWMSITPB-RTBURBONSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001565426380 1076727776 /nfs/dbraw/zinc/72/77/76/1076727776.db2.gz BKNQEICWMSITPB-RTBURBONSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C[N@@H+]2C1 ZINC001567120582 1077002401 /nfs/dbraw/zinc/00/24/01/1077002401.db2.gz RSPFNIDCNPYAAX-IMFGXOCKSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C[N@H+]2C1 ZINC001567120582 1077002404 /nfs/dbraw/zinc/00/24/04/1077002404.db2.gz RSPFNIDCNPYAAX-IMFGXOCKSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]([NH2+]CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C[NH+](C)C)c1 ZINC001589963135 1080906358 /nfs/dbraw/zinc/90/63/58/1080906358.db2.gz KUFHJMHTHKHWEZ-OAHLLOKOSA-N 1 3 350.470 2.822 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422956309 513991151 /nfs/dbraw/zinc/99/11/51/513991151.db2.gz PFWSMLINFJABMW-GXTWGEPZSA-N 1 3 354.292 2.803 20 0 FFADHO C[N@H+]1CCN(CCNCc2cccc(Br)c2F)CC1(C)C ZINC000449304695 514153971 /nfs/dbraw/zinc/15/39/71/514153971.db2.gz PJWIUNKXAHTAMH-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108421008 250312731 /nfs/dbraw/zinc/31/27/31/250312731.db2.gz DCEYTSRKMYWYPO-OAQYLSRUSA-N 1 3 351.494 2.982 20 0 FFADHO Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108421008 250312735 /nfs/dbraw/zinc/31/27/35/250312735.db2.gz DCEYTSRKMYWYPO-OAQYLSRUSA-N 1 3 351.494 2.982 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153521131 251149008 /nfs/dbraw/zinc/14/90/08/251149008.db2.gz IQSWDOVPMKOZSY-LEWJYISDSA-N 1 3 371.525 2.583 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000153521131 251149013 /nfs/dbraw/zinc/14/90/13/251149013.db2.gz IQSWDOVPMKOZSY-LEWJYISDSA-N 1 3 371.525 2.583 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1N1CCN(C)CC1 ZINC000375016290 512122074 /nfs/dbraw/zinc/12/20/74/512122074.db2.gz DVYJLRHXMQEUGD-FUHWJXTLSA-N 1 3 373.570 2.606 20 0 FFADHO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1N1CCN(C)CC1 ZINC000375016290 512122069 /nfs/dbraw/zinc/12/20/69/512122069.db2.gz DVYJLRHXMQEUGD-FUHWJXTLSA-N 1 3 373.570 2.606 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268804253 251388583 /nfs/dbraw/zinc/38/85/83/251388583.db2.gz IOSTUPWXTTYODS-RBBKRZOGSA-N 1 3 358.574 2.657 20 0 FFADHO C[NH+]1CCC(C)(CNCc2cnc3ccc(Br)cn23)CC1 ZINC000272632327 252087023 /nfs/dbraw/zinc/08/70/23/252087023.db2.gz YAZOTDHFFRCNNZ-UHFFFAOYSA-N 1 3 351.292 2.918 20 0 FFADHO CC1(C)CN(Cc2ccccc2C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC[C@H]1O ZINC000275412893 256002285 /nfs/dbraw/zinc/00/22/85/256002285.db2.gz GJIGDNHFPPVDFC-WOJBJXKFSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)CN(Cc2ccccc2C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC[C@H]1O ZINC000275412893 256002288 /nfs/dbraw/zinc/00/22/88/256002288.db2.gz GJIGDNHFPPVDFC-WOJBJXKFSA-N 1 3 360.542 2.872 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000275859204 256054387 /nfs/dbraw/zinc/05/43/87/256054387.db2.gz MMYNTDGTZYLTSM-NRFANRHFSA-N 1 3 371.529 2.808 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000276059056 256069640 /nfs/dbraw/zinc/06/96/40/256069640.db2.gz BKCBTYPNWDDZCB-FQEVSTJZSA-N 1 3 358.530 2.561 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+]CC3(OC)CCOCC3)CC2)cc1 ZINC000277082369 256159130 /nfs/dbraw/zinc/15/91/30/256159130.db2.gz UFYUQRZBSCIHSL-UHFFFAOYSA-N 1 3 362.514 2.692 20 0 FFADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000276958236 256146400 /nfs/dbraw/zinc/14/64/00/256146400.db2.gz GBLUIALXJZSIAZ-ZWKOTPCHSA-N 1 3 366.509 2.931 20 0 FFADHO Cc1cccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1Cl ZINC000277271284 256178964 /nfs/dbraw/zinc/17/89/64/256178964.db2.gz PQCPFVOWISVHDA-UHFFFAOYSA-N 1 3 363.933 2.866 20 0 FFADHO O=C(NCC1CC[NH+](C2CC2)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000278305302 256297283 /nfs/dbraw/zinc/29/72/83/256297283.db2.gz BMEOAHWXBYDXRB-UHFFFAOYSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286205240 257025555 /nfs/dbraw/zinc/02/55/55/257025555.db2.gz RWBFHQMBWGZKSY-XHSDSOJGSA-N 1 3 361.486 2.558 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288043864 257142096 /nfs/dbraw/zinc/14/20/96/257142096.db2.gz TUQCODCKBVZNCQ-VYFYYAICSA-N 1 3 356.514 2.698 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288043864 257142098 /nfs/dbraw/zinc/14/20/98/257142098.db2.gz TUQCODCKBVZNCQ-VYFYYAICSA-N 1 3 356.514 2.698 20 0 FFADHO COCCOCc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000289690851 257294117 /nfs/dbraw/zinc/29/41/17/257294117.db2.gz KBKIJBPITSJTBC-RTBURBONSA-N 1 3 364.530 2.829 20 0 FFADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCOC(C)(C)C1 ZINC000290009565 257311338 /nfs/dbraw/zinc/31/13/38/257311338.db2.gz ZPBQKRBBTQWBKU-RBUKOAKNSA-N 1 3 361.530 2.685 20 0 FFADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCOC(C)(C)C1 ZINC000290009565 257311339 /nfs/dbraw/zinc/31/13/39/257311339.db2.gz ZPBQKRBBTQWBKU-RBUKOAKNSA-N 1 3 361.530 2.685 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289565789 257287432 /nfs/dbraw/zinc/28/74/32/257287432.db2.gz ZDDRTZDOWUIWPE-UHFFFAOYSA-N 1 3 367.541 2.640 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000331377955 258183672 /nfs/dbraw/zinc/18/36/72/258183672.db2.gz FMJXFTICVGCBEN-QYWGDWMGSA-N 1 3 359.514 2.518 20 0 FFADHO C[C@H]1CN(Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000375023960 512126403 /nfs/dbraw/zinc/12/64/03/512126403.db2.gz WAPSHDSUCMKAIW-RXVVDRJESA-N 1 3 367.541 2.545 20 0 FFADHO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000375023960 512126408 /nfs/dbraw/zinc/12/64/08/512126408.db2.gz WAPSHDSUCMKAIW-RXVVDRJESA-N 1 3 367.541 2.545 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000375023960 512126411 /nfs/dbraw/zinc/12/64/11/512126411.db2.gz WAPSHDSUCMKAIW-RXVVDRJESA-N 1 3 367.541 2.545 20 0 FFADHO C[C@@H](CCS(C)(=O)=O)[NH2+]C1CCC(N(C)Cc2ccccc2)CC1 ZINC000366681701 512137095 /nfs/dbraw/zinc/13/70/95/512137095.db2.gz WBRTYGYCONBNIE-IVMQYODDSA-N 1 3 352.544 2.842 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000375207284 512211886 /nfs/dbraw/zinc/21/18/86/512211886.db2.gz JRSNVASNDNHJQX-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC000375207284 512211890 /nfs/dbraw/zinc/21/18/90/512211890.db2.gz JRSNVASNDNHJQX-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000377520931 512308772 /nfs/dbraw/zinc/30/87/72/512308772.db2.gz XHYTYTOGGSKIIZ-IBGZPJMESA-N 1 3 359.514 2.718 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000046373248 507126674 /nfs/dbraw/zinc/12/66/74/507126674.db2.gz JBCAKCDAEKUWAP-GOSISDBHSA-N 1 3 358.530 2.608 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000046373248 507126677 /nfs/dbraw/zinc/12/66/77/507126677.db2.gz JBCAKCDAEKUWAP-GOSISDBHSA-N 1 3 358.530 2.608 20 0 FFADHO C[NH+](C)CCOc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1 ZINC000069676995 507532750 /nfs/dbraw/zinc/53/27/50/507532750.db2.gz PNFGXZIQTBQLRI-UHFFFAOYSA-N 1 3 354.498 2.912 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000060760031 507576101 /nfs/dbraw/zinc/57/61/01/507576101.db2.gz LWJACKHBWYQMSY-IBGZPJMESA-N 1 3 355.482 2.660 20 0 FFADHO COc1cc(OC)c(OC)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062253098 507659877 /nfs/dbraw/zinc/65/98/77/507659877.db2.gz QZZWDTZVRFPFEF-HOTGVXAUSA-N 1 3 366.502 2.691 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000062646663 507681175 /nfs/dbraw/zinc/68/11/75/507681175.db2.gz CYRBXQZYYPUWFZ-XLIONFOSSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000062646663 507681183 /nfs/dbraw/zinc/68/11/83/507681183.db2.gz CYRBXQZYYPUWFZ-XLIONFOSSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1cccc(C)c1OCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050798735 507713977 /nfs/dbraw/zinc/71/39/77/507713977.db2.gz ZLBDTBIKNKOXJM-UHFFFAOYSA-N 1 3 373.541 2.747 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CCCN(C)C2)c2cccs2)CC1 ZINC000072015938 507736398 /nfs/dbraw/zinc/73/63/98/507736398.db2.gz RTGXTAWJKKXVGA-IRXDYDNUSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@@H](CCc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051238529 507752693 /nfs/dbraw/zinc/75/26/93/507752693.db2.gz VJNOWRYXZIZJLC-SFHVURJKSA-N 1 3 372.557 2.866 20 0 FFADHO C[C@H](Cc1ccsc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777720 507784260 /nfs/dbraw/zinc/78/42/60/507784260.db2.gz ADENWSVCEMWCQS-OAHLLOKOSA-N 1 3 364.559 2.537 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3C3CCCC3)CC2)CC1 ZINC000051777789 507784632 /nfs/dbraw/zinc/78/46/32/507784632.db2.gz BDAXNXHCAQRUPZ-FQEVSTJZSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000052523467 507812187 /nfs/dbraw/zinc/81/21/87/507812187.db2.gz LJLWOMOFBFYZQI-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000052523467 507812188 /nfs/dbraw/zinc/81/21/88/507812188.db2.gz LJLWOMOFBFYZQI-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO CC(C)Cc1ncc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000377629506 512365096 /nfs/dbraw/zinc/36/50/96/512365096.db2.gz PLSPBPKFMJEUIO-QGZVFWFLSA-N 1 3 350.576 2.942 20 0 FFADHO CC(C)[NH+]1CCC(N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000072849578 507862730 /nfs/dbraw/zinc/86/27/30/507862730.db2.gz KABGKSHDBMQQCG-UHFFFAOYSA-N 1 3 372.557 2.530 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000078434255 507871097 /nfs/dbraw/zinc/87/10/97/507871097.db2.gz UJNDIQSFAONNAM-NHCUHLMSSA-N 1 3 368.525 2.761 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@H](C)O1 ZINC000078601899 507887774 /nfs/dbraw/zinc/88/77/74/507887774.db2.gz TWELKWSBPFPXJW-IRXDYDNUSA-N 1 3 369.509 2.849 20 0 FFADHO C[C@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000078724300 507900518 /nfs/dbraw/zinc/90/05/18/507900518.db2.gz WXYXCKZQEDXSQG-GUDVDZBRSA-N 1 3 365.562 2.599 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000108552110 507903613 /nfs/dbraw/zinc/90/36/13/507903613.db2.gz GHSRIYOCIXJVOH-MSOLQXFVSA-N 1 3 364.559 2.915 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000108552110 507903616 /nfs/dbraw/zinc/90/36/16/507903616.db2.gz GHSRIYOCIXJVOH-MSOLQXFVSA-N 1 3 364.559 2.915 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000108549491 507903655 /nfs/dbraw/zinc/90/36/55/507903655.db2.gz CBVSPHGXCATKEG-OAQYLSRUSA-N 1 3 370.541 2.743 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000108549491 507903657 /nfs/dbraw/zinc/90/36/57/507903657.db2.gz CBVSPHGXCATKEG-OAQYLSRUSA-N 1 3 370.541 2.743 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000073415512 507920252 /nfs/dbraw/zinc/92/02/52/507920252.db2.gz IYZMSRWHZKPDRT-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000090458149 507920700 /nfs/dbraw/zinc/92/07/00/507920700.db2.gz JKGHDBDAONGWIW-NYTXWWLZSA-N 1 3 371.319 2.507 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000090458149 507920703 /nfs/dbraw/zinc/92/07/03/507920703.db2.gz JKGHDBDAONGWIW-NYTXWWLZSA-N 1 3 371.319 2.507 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000073537658 507928881 /nfs/dbraw/zinc/92/88/81/507928881.db2.gz QTMAIFMSFMEPAF-UHFFFAOYSA-N 1 3 360.546 2.930 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(CCc2ccccc2)CC1 ZINC000079167181 507940071 /nfs/dbraw/zinc/94/00/71/507940071.db2.gz BFTGOYAKNMBEGO-LEWJYISDSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)NC1CCN(CCc2ccccc2)CC1 ZINC000079167181 507940073 /nfs/dbraw/zinc/94/00/73/507940073.db2.gz BFTGOYAKNMBEGO-LEWJYISDSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000109340023 507956520 /nfs/dbraw/zinc/95/65/20/507956520.db2.gz KCSKHUYDGDWOBO-QGZVFWFLSA-N 1 3 359.489 2.781 20 0 FFADHO C[C@@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000079408854 507959833 /nfs/dbraw/zinc/95/98/33/507959833.db2.gz ZDUNIWBXQIUNOC-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079504285 507969439 /nfs/dbraw/zinc/96/94/39/507969439.db2.gz GGJMGRJCJJRHAC-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C[NH+]1CCCC1 ZINC000079789480 508001389 /nfs/dbraw/zinc/00/13/89/508001389.db2.gz MMRAWKNXSNAJDR-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CCN2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165556 508046347 /nfs/dbraw/zinc/04/63/47/508046347.db2.gz WCCMKTIAGJAAKR-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CCN2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080165556 508046350 /nfs/dbraw/zinc/04/63/50/508046350.db2.gz WCCMKTIAGJAAKR-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCCC[C@H]1C ZINC000074851012 508061653 /nfs/dbraw/zinc/06/16/53/508061653.db2.gz AJVSXTCUOOUXTC-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCCC[C@H]1C ZINC000074851012 508061654 /nfs/dbraw/zinc/06/16/54/508061654.db2.gz AJVSXTCUOOUXTC-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO C(=C/C[NH+]1CCC(n2ccnc2)CC1)\CN1CCC(n2ccnc2)CC1 ZINC000111242991 508081704 /nfs/dbraw/zinc/08/17/04/508081704.db2.gz UXBCJPPSPBFIRS-OWOJBTEDSA-N 1 3 354.502 2.610 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000080694294 508095632 /nfs/dbraw/zinc/09/56/32/508095632.db2.gz BSRQUGWOLQUHMW-UYAOXDASSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080694294 508095634 /nfs/dbraw/zinc/09/56/34/508095634.db2.gz BSRQUGWOLQUHMW-UYAOXDASSA-N 1 3 356.514 2.529 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000111491231 508104392 /nfs/dbraw/zinc/10/43/92/508104392.db2.gz GIGRMWOZOXEIPS-LEWJYISDSA-N 1 3 372.557 2.725 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000111491231 508104394 /nfs/dbraw/zinc/10/43/94/508104394.db2.gz GIGRMWOZOXEIPS-LEWJYISDSA-N 1 3 372.557 2.725 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccccc2N(C)C)CC1 ZINC000075638820 508125146 /nfs/dbraw/zinc/12/51/46/508125146.db2.gz STBCYACHMZZQRE-UHFFFAOYSA-N 1 3 374.573 2.813 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111874975 508132912 /nfs/dbraw/zinc/13/29/12/508132912.db2.gz PKBYTDBUJRWRFA-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[N@H+](CCNC(=O)C1CCN(Cc2ccccn2)CC1)Cc1ccccc1 ZINC000081156080 508142515 /nfs/dbraw/zinc/14/25/15/508142515.db2.gz ASDUCMNGOOAHOL-UHFFFAOYSA-N 1 3 366.509 2.542 20 0 FFADHO C[N@@H+](CCNC(=O)C1CCN(Cc2ccccn2)CC1)Cc1ccccc1 ZINC000081156080 508142516 /nfs/dbraw/zinc/14/25/16/508142516.db2.gz ASDUCMNGOOAHOL-UHFFFAOYSA-N 1 3 366.509 2.542 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C(C)C)CC2)N(C)C)cc1 ZINC000076052024 508153385 /nfs/dbraw/zinc/15/33/85/508153385.db2.gz ICBFTZMAOHNQNS-HXUWFJFHSA-N 1 3 360.546 2.977 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)C)CC2)N(C)C)cc1 ZINC000076052024 508153388 /nfs/dbraw/zinc/15/33/88/508153388.db2.gz ICBFTZMAOHNQNS-HXUWFJFHSA-N 1 3 360.546 2.977 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000112465085 508188310 /nfs/dbraw/zinc/18/83/10/508188310.db2.gz MJKYJZMMIYZKJH-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000112465085 508188311 /nfs/dbraw/zinc/18/83/11/508188311.db2.gz MJKYJZMMIYZKJH-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000084412561 508278147 /nfs/dbraw/zinc/27/81/47/508278147.db2.gz QDNJHOBJNNTOTE-UHFFFAOYSA-N 1 3 352.548 2.696 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000084437734 508278937 /nfs/dbraw/zinc/27/89/37/508278937.db2.gz SLWCNJADMSLQGB-UHFFFAOYSA-N 1 3 352.548 2.696 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000084437734 508278938 /nfs/dbraw/zinc/27/89/38/508278938.db2.gz SLWCNJADMSLQGB-UHFFFAOYSA-N 1 3 352.548 2.696 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000077202913 508287423 /nfs/dbraw/zinc/28/74/23/508287423.db2.gz AISYLJDQIQORMZ-MRXNPFEDSA-N 1 3 364.559 2.740 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000103212023 508301935 /nfs/dbraw/zinc/30/19/35/508301935.db2.gz FAZHQJFMXYGLOO-HZPDHXFCSA-N 1 3 371.447 2.761 20 0 FFADHO CC[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000103305269 508306001 /nfs/dbraw/zinc/30/60/01/508306001.db2.gz CZBPEEBOVQHPMK-NRFANRHFSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](CNC(=O)N1CCCN(CCCc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000105264260 508368046 /nfs/dbraw/zinc/36/80/46/508368046.db2.gz ZWHDPYQXNNESKM-IBGZPJMESA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H](CNC(=O)N1CCCN(CCCc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000105264260 508368049 /nfs/dbraw/zinc/36/80/49/508368049.db2.gz ZWHDPYQXNNESKM-IBGZPJMESA-N 1 3 372.557 2.819 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1CNCCC[N@H+]1CCCN(C)CC1 ZINC000105476766 508374136 /nfs/dbraw/zinc/37/41/36/508374136.db2.gz MMQDQJOPDHQJFU-UHFFFAOYSA-N 1 3 369.557 2.665 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000105476766 508374137 /nfs/dbraw/zinc/37/41/37/508374137.db2.gz MMQDQJOPDHQJFU-UHFFFAOYSA-N 1 3 369.557 2.665 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N(CCN(C)C)Cc2ccco2)([NH+](C)C)C1 ZINC000088505841 508374234 /nfs/dbraw/zinc/37/42/34/508374234.db2.gz OFUUJZGMPIPOBN-XLIONFOSSA-N 1 3 364.534 2.863 20 0 FFADHO CN(Cc1csc(-c2ccccn2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371423961 512393562 /nfs/dbraw/zinc/39/35/62/512393562.db2.gz LQOVJFYPQRIVRI-SFHVURJKSA-N 1 3 371.554 2.805 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)C[NH+]3CCCC3)cc2)CC1 ZINC000156600280 508448224 /nfs/dbraw/zinc/44/82/24/508448224.db2.gz MUWJBVGGRWMJAE-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000152452117 508449337 /nfs/dbraw/zinc/44/93/37/508449337.db2.gz QTOZQYJVQIRFQV-APWZRJJASA-N 1 3 359.514 2.679 20 0 FFADHO CC(C)[C@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N(C)C ZINC000127550891 508467648 /nfs/dbraw/zinc/46/76/48/508467648.db2.gz WLGGAXHVZBWJLU-HXUWFJFHSA-N 1 3 360.546 2.989 20 0 FFADHO CC(=O)N1CCC(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000133995943 508478822 /nfs/dbraw/zinc/47/88/22/508478822.db2.gz CSOJSEJFXJJCCQ-UHFFFAOYSA-N 1 3 372.557 2.565 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000127830570 508506386 /nfs/dbraw/zinc/50/63/86/508506386.db2.gz DYQCBCHTWGZACI-HMXCVIKNSA-N 1 3 370.541 2.948 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000127830570 508506389 /nfs/dbraw/zinc/50/63/89/508506389.db2.gz DYQCBCHTWGZACI-HMXCVIKNSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000116561041 508529682 /nfs/dbraw/zinc/52/96/82/508529682.db2.gz IMFCFDVUCHYZOS-XLIONFOSSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000152937752 508532586 /nfs/dbraw/zinc/53/25/86/508532586.db2.gz MASDONKJAPYALI-CQSZACIVSA-N 1 3 374.451 2.901 20 0 FFADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128135932 508552314 /nfs/dbraw/zinc/55/23/14/508552314.db2.gz NAFAKSJVTVDTBL-HIFRSBDPSA-N 1 3 366.575 2.987 20 0 FFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000128362761 508583026 /nfs/dbraw/zinc/58/30/26/508583026.db2.gz MDOPFUGUUREIOH-LJQANCHMSA-N 1 3 360.546 2.638 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128413946 508589374 /nfs/dbraw/zinc/58/93/74/508589374.db2.gz LZGKLTOWMGIGIM-SFHVURJKSA-N 1 3 355.530 2.859 20 0 FFADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000367250463 512406182 /nfs/dbraw/zinc/40/61/82/512406182.db2.gz JAIHZHJMQOJFRP-QMMLZNLJSA-N 1 3 373.541 2.703 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)NC2CCCCC2)[C@H](C)C1 ZINC000128682129 508628340 /nfs/dbraw/zinc/62/83/40/508628340.db2.gz VCHRWOCAZGUNDD-IEBWSBKVSA-N 1 3 353.551 2.552 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)NC2CCCCC2)[C@H](C)C1 ZINC000128682129 508628343 /nfs/dbraw/zinc/62/83/43/508628343.db2.gz VCHRWOCAZGUNDD-IEBWSBKVSA-N 1 3 353.551 2.552 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC(C)CC1 ZINC000157915718 508632091 /nfs/dbraw/zinc/63/20/91/508632091.db2.gz LUONXKHOFRWCGT-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000158093882 508656296 /nfs/dbraw/zinc/65/62/96/508656296.db2.gz IFDQBJXZRSLDDQ-UMVBOHGHSA-N 1 3 353.894 2.996 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000158093882 508656298 /nfs/dbraw/zinc/65/62/98/508656298.db2.gz IFDQBJXZRSLDDQ-UMVBOHGHSA-N 1 3 353.894 2.996 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000123342737 508671915 /nfs/dbraw/zinc/67/19/15/508671915.db2.gz NIUHYHZNKGQXMA-TZIWHRDSSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000123342737 508671919 /nfs/dbraw/zinc/67/19/19/508671919.db2.gz NIUHYHZNKGQXMA-TZIWHRDSSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000123859240 508748395 /nfs/dbraw/zinc/74/83/95/508748395.db2.gz AUAYXZKDRWWKJK-IEBWSBKVSA-N 1 3 361.505 2.886 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000129790236 508766772 /nfs/dbraw/zinc/76/67/72/508766772.db2.gz FTCBGFOMOYNZCP-DLBZAZTESA-N 1 3 364.559 2.553 20 0 FFADHO COCCCN1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000159092213 508791507 /nfs/dbraw/zinc/79/15/07/508791507.db2.gz RKQQUPOLFMOXGJ-UHFFFAOYSA-N 1 3 359.558 2.784 20 0 FFADHO CCCOc1cc(C)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119918388 508890645 /nfs/dbraw/zinc/89/06/45/508890645.db2.gz ICYLNTOGISCKSX-UHFFFAOYSA-N 1 3 350.507 2.741 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000131182010 508896373 /nfs/dbraw/zinc/89/63/73/508896373.db2.gz YOVWDRHXEJDELW-UHFFFAOYSA-N 1 3 352.482 2.928 20 0 FFADHO CC(C)Oc1ccc(F)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120067193 508920983 /nfs/dbraw/zinc/92/09/83/508920983.db2.gz JPNXGEFSQDQSAA-UHFFFAOYSA-N 1 3 354.470 2.570 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000155097978 508922446 /nfs/dbraw/zinc/92/24/46/508922446.db2.gz DFLVSLPEQQYXEN-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CN(c1ccccc1CNC[C@@](C)(O)c1ccco1)C1CC[NH+](C)CC1 ZINC000150999419 508937419 /nfs/dbraw/zinc/93/74/19/508937419.db2.gz MYRLCCCIDLHUEC-OAQYLSRUSA-N 1 3 357.498 2.807 20 0 FFADHO CN(c1ccccc1CNC[C@](C)(O)c1ccco1)C1CC[NH+](C)CC1 ZINC000150999470 508937518 /nfs/dbraw/zinc/93/75/18/508937518.db2.gz MYRLCCCIDLHUEC-NRFANRHFSA-N 1 3 357.498 2.807 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000120251434 508958600 /nfs/dbraw/zinc/95/86/00/508958600.db2.gz JJPIEIJOJBMZDH-HOJAQTOUSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000120251434 508958604 /nfs/dbraw/zinc/95/86/04/508958604.db2.gz JJPIEIJOJBMZDH-HOJAQTOUSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000155422368 508998016 /nfs/dbraw/zinc/99/80/16/508998016.db2.gz GQCFHOBFZLTYSU-QZTJIDSGSA-N 1 3 358.530 2.988 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c[nH]c2ccccc12 ZINC000125555091 508999200 /nfs/dbraw/zinc/99/92/00/508999200.db2.gz ZMEDDDYKEQQMAA-IBGZPJMESA-N 1 3 370.541 2.975 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c[nH]c2ccccc12 ZINC000125555091 508999202 /nfs/dbraw/zinc/99/92/02/508999202.db2.gz ZMEDDDYKEQQMAA-IBGZPJMESA-N 1 3 370.541 2.975 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2ccccc12 ZINC000125578462 509002424 /nfs/dbraw/zinc/00/24/24/509002424.db2.gz YEOPPVWIVVHAGB-GOSISDBHSA-N 1 3 356.514 2.585 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2ccccc12 ZINC000125578462 509002426 /nfs/dbraw/zinc/00/24/26/509002426.db2.gz YEOPPVWIVVHAGB-GOSISDBHSA-N 1 3 356.514 2.585 20 0 FFADHO Cc1ccc2cccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2n1 ZINC000132297941 509011692 /nfs/dbraw/zinc/01/16/92/509011692.db2.gz FVGYEDGAYVNSIT-UHFFFAOYSA-N 1 3 366.509 2.832 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCCSC(C)(C)C)CC2)CC1 ZINC000151598823 509050345 /nfs/dbraw/zinc/05/03/45/509050345.db2.gz ASWXNRUTSJDVEC-UHFFFAOYSA-N 1 3 355.592 2.973 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000126534912 509091488 /nfs/dbraw/zinc/09/14/88/509091488.db2.gz ZIOBULVPVNOZRA-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000132951282 509096026 /nfs/dbraw/zinc/09/60/26/509096026.db2.gz MZEWDOXEWIRAQF-IAGOWNOFSA-N 1 3 373.497 2.795 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000156078476 509122838 /nfs/dbraw/zinc/12/28/38/509122838.db2.gz VSEYMNOSLOHVDZ-SJBKTWHCSA-N 1 3 358.574 2.907 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000162601367 509261824 /nfs/dbraw/zinc/26/18/24/509261824.db2.gz OPFXHJHGIVNBOT-UHFFFAOYSA-N 1 3 372.557 2.519 20 0 FFADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248391012 509288299 /nfs/dbraw/zinc/28/82/99/509288299.db2.gz BSOFYXCWEPPLJO-AYWYSENESA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248391012 509288302 /nfs/dbraw/zinc/28/83/02/509288302.db2.gz BSOFYXCWEPPLJO-AYWYSENESA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248391012 509288309 /nfs/dbraw/zinc/28/83/09/509288309.db2.gz BSOFYXCWEPPLJO-AYWYSENESA-N 1 3 355.526 2.888 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3SCCc4ccccc43)CC2)CC1 ZINC000172929835 509312305 /nfs/dbraw/zinc/31/23/05/509312305.db2.gz VWBPJLHJTWMGGL-FQEVSTJZSA-N 1 3 373.566 2.692 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000179207191 509319725 /nfs/dbraw/zinc/31/97/25/509319725.db2.gz OJXHTPULJBZLFR-QUDVFMAMSA-N 1 3 358.530 2.851 20 0 FFADHO Cn1ncc2c1CCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248440815 509321635 /nfs/dbraw/zinc/32/16/35/509321635.db2.gz JTCVNCWKXISXGG-ICSRJNTNSA-N 1 3 354.498 2.544 20 0 FFADHO Cn1ncc2c1CCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248440815 509321645 /nfs/dbraw/zinc/32/16/45/509321645.db2.gz JTCVNCWKXISXGG-ICSRJNTNSA-N 1 3 354.498 2.544 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179260676 509343593 /nfs/dbraw/zinc/34/35/93/509343593.db2.gz XICMIHFINYKNKB-DFQSSKMNSA-N 1 3 358.530 2.805 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179260676 509343598 /nfs/dbraw/zinc/34/35/98/509343598.db2.gz XICMIHFINYKNKB-DFQSSKMNSA-N 1 3 358.530 2.805 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000179459625 509454645 /nfs/dbraw/zinc/45/46/45/509454645.db2.gz GOZBOWSISFZKTB-UXHICEINSA-N 1 3 358.530 2.805 20 0 FFADHO CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267351730 509460927 /nfs/dbraw/zinc/46/09/27/509460927.db2.gz PMMHXRSCDMHFNF-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267351730 509460932 /nfs/dbraw/zinc/46/09/32/509460932.db2.gz PMMHXRSCDMHFNF-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182859992 509463300 /nfs/dbraw/zinc/46/33/00/509463300.db2.gz JJKQYSUADHXZAZ-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182859992 509463303 /nfs/dbraw/zinc/46/33/03/509463303.db2.gz JJKQYSUADHXZAZ-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1Cc2ccccc2CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176383276 509478683 /nfs/dbraw/zinc/47/86/83/509478683.db2.gz XXSZDJWCPWHJJG-KRWDZBQOSA-N 1 3 370.541 2.701 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248858140 509515456 /nfs/dbraw/zinc/51/54/56/509515456.db2.gz PLVWETNFQIGKEL-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO COc1cccc2c1CC[C@H]([NH2+]C1CCN(C3CCN(C)CC3)CC1)C2 ZINC000192441098 509517924 /nfs/dbraw/zinc/51/79/24/509517924.db2.gz VERRVEFPGCKFJP-IBGZPJMESA-N 1 3 357.542 2.701 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000164611731 509519051 /nfs/dbraw/zinc/51/90/51/509519051.db2.gz KIMCPMMXXDPIRN-OXQOHEQNSA-N 1 3 355.482 2.579 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)o1 ZINC000186099495 509521861 /nfs/dbraw/zinc/52/18/61/509521861.db2.gz YHTOQAHMTWXOOW-QGZVFWFLSA-N 1 3 364.534 2.926 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000248928103 509547024 /nfs/dbraw/zinc/54/70/24/509547024.db2.gz XLMQWZLCYITXJM-DYESRHJHSA-N 1 3 370.541 2.681 20 0 FFADHO CCCN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000165495542 509571785 /nfs/dbraw/zinc/57/17/85/509571785.db2.gz RAFNFJJIVZTIFI-SFTDATJTSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C[C@@H](C)O1 ZINC000249031890 509575585 /nfs/dbraw/zinc/57/55/85/509575585.db2.gz RJJVPZKYWXHFBV-OMHCMOMGSA-N 1 3 371.525 2.651 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000237179038 509588219 /nfs/dbraw/zinc/58/82/19/509588219.db2.gz ICWLLKCQLHODOA-UHFFFAOYSA-N 1 3 350.466 2.749 20 0 FFADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264561957 509601980 /nfs/dbraw/zinc/60/19/80/509601980.db2.gz FTGTWIMZLHTBLZ-OAQYLSRUSA-N 1 3 355.526 2.985 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000237287357 509613031 /nfs/dbraw/zinc/61/30/31/509613031.db2.gz SMZHUYPKFYIAPJ-RTBURBONSA-N 1 3 359.514 2.541 20 0 FFADHO C[C@@H](CN1CCN(C)CC1)[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183140444 509623226 /nfs/dbraw/zinc/62/32/26/509623226.db2.gz DOGSXPXSSXJDIM-UDIDDNNKSA-N 1 3 370.585 2.513 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000237481498 509659037 /nfs/dbraw/zinc/65/90/37/509659037.db2.gz IWCLUZVEVZRRHM-UWJYYQICSA-N 1 3 351.494 2.898 20 0 FFADHO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H](N)c1ccccc1 ZINC000237575701 509682073 /nfs/dbraw/zinc/68/20/73/509682073.db2.gz AUXOTDDSFPXHLB-JXFKEZNVSA-N 1 3 355.482 2.579 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000193032220 509744438 /nfs/dbraw/zinc/74/44/38/509744438.db2.gz KTJWNJRFQMUFLW-FQEVSTJZSA-N 1 3 358.530 2.823 20 0 FFADHO CC1CCN(C2CCC([NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)CC1 ZINC000183383248 509752017 /nfs/dbraw/zinc/75/20/17/509752017.db2.gz GUYBNJBEQMADSR-GMNCBBECSA-N 1 3 356.576 2.975 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237880192 509760331 /nfs/dbraw/zinc/76/03/31/509760331.db2.gz IRQBIKZEROUKCW-NHCUHLMSSA-N 1 3 351.494 2.991 20 0 FFADHO CN(C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCOCC1 ZINC000180144517 509776032 /nfs/dbraw/zinc/77/60/32/509776032.db2.gz XFSRRGZVFATHCF-SEJPIABJSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCN1C ZINC000249944558 509781195 /nfs/dbraw/zinc/78/11/95/509781195.db2.gz XWIGQWRLZXLLID-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCN1C ZINC000249944558 509781202 /nfs/dbraw/zinc/78/12/02/509781202.db2.gz XWIGQWRLZXLLID-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186590954 509789471 /nfs/dbraw/zinc/78/94/71/509789471.db2.gz JMXWWWFLJHSQIS-YPIGPJMWSA-N 1 3 370.585 2.513 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000173895800 509839701 /nfs/dbraw/zinc/83/97/01/509839701.db2.gz IJDJDAXAGZVGDO-FCGDIQPGSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000173895800 509839708 /nfs/dbraw/zinc/83/97/08/509839708.db2.gz IJDJDAXAGZVGDO-FCGDIQPGSA-N 1 3 352.567 2.869 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000253187737 509862361 /nfs/dbraw/zinc/86/23/61/509862361.db2.gz CWFCOKJHDMKYJT-QHAWAJNXSA-N 1 3 370.541 2.775 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000253187737 509862362 /nfs/dbraw/zinc/86/23/62/509862362.db2.gz CWFCOKJHDMKYJT-QHAWAJNXSA-N 1 3 370.541 2.775 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000171037160 509902541 /nfs/dbraw/zinc/90/25/41/509902541.db2.gz KRIQHKYSDPWYKJ-HXUWFJFHSA-N 1 3 356.514 2.662 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245433223 509929109 /nfs/dbraw/zinc/92/91/09/509929109.db2.gz PCKNDMUVSRIUST-LEWJYISDSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000186891937 509933471 /nfs/dbraw/zinc/93/34/71/509933471.db2.gz NPCZKRKLNNTZGQ-KYJSFNMBSA-N 1 3 369.431 2.555 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171130314 509960492 /nfs/dbraw/zinc/96/04/92/509960492.db2.gz HEPSLSLEMUXCNA-HNNXBMFYSA-N 1 3 361.511 2.507 20 0 FFADHO C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261595109 509994513 /nfs/dbraw/zinc/99/45/13/509994513.db2.gz NWTZLDWSSBUIRC-UIFIKXQLSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261595109 509994519 /nfs/dbraw/zinc/99/45/19/509994519.db2.gz NWTZLDWSSBUIRC-UIFIKXQLSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000183853054 510006126 /nfs/dbraw/zinc/00/61/26/510006126.db2.gz UNUDDFSYIGUNGA-MRXNPFEDSA-N 1 3 362.514 2.853 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000265353213 510009024 /nfs/dbraw/zinc/00/90/24/510009024.db2.gz XWFFVKZUEZFLIQ-GOSISDBHSA-N 1 3 361.530 2.821 20 0 FFADHO C[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261666899 510019412 /nfs/dbraw/zinc/01/94/12/510019412.db2.gz AHLORHQYGYYZTK-JDFRZJQESA-N 1 3 357.420 2.942 20 0 FFADHO CN(C)Cc1ccc(-c2noc(-c3ccn([C@@H]4CCC[NH2+]C4)n3)n2)cc1 ZINC000261822426 510076583 /nfs/dbraw/zinc/07/65/83/510076583.db2.gz QOOZQHKVTRNLRQ-MRXNPFEDSA-N 1 3 352.442 2.586 20 0 FFADHO CCC(CC)(C[NH3+])C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000261824825 510079068 /nfs/dbraw/zinc/07/90/68/510079068.db2.gz NWLVCNWAWVQGIW-UHFFFAOYSA-N 1 3 358.530 2.922 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccs1 ZINC000245683810 510083740 /nfs/dbraw/zinc/08/37/40/510083740.db2.gz GTAUZULVBFMLGW-HZPDHXFCSA-N 1 3 352.548 2.867 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccs1 ZINC000245683810 510083748 /nfs/dbraw/zinc/08/37/48/510083748.db2.gz GTAUZULVBFMLGW-HZPDHXFCSA-N 1 3 352.548 2.867 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccs1 ZINC000245683803 510084437 /nfs/dbraw/zinc/08/44/37/510084437.db2.gz GTAUZULVBFMLGW-CVEARBPZSA-N 1 3 352.548 2.867 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccs1 ZINC000245683803 510084442 /nfs/dbraw/zinc/08/44/42/510084442.db2.gz GTAUZULVBFMLGW-CVEARBPZSA-N 1 3 352.548 2.867 20 0 FFADHO CN(C)C1(CN(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000187256542 510152654 /nfs/dbraw/zinc/15/26/54/510152654.db2.gz AGSRLXCKDKSRNP-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000194030137 510182324 /nfs/dbraw/zinc/18/23/24/510182324.db2.gz SQSALHNLDKEVHO-NJDAHSKKSA-N 1 3 356.510 2.691 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194040991 510187667 /nfs/dbraw/zinc/18/76/67/510187667.db2.gz WGBBBOQYQBIUOF-PMACEKPBSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194040991 510187670 /nfs/dbraw/zinc/18/76/70/510187670.db2.gz WGBBBOQYQBIUOF-PMACEKPBSA-N 1 3 360.546 2.784 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)(N2CCCCC2)CC1 ZINC000194060125 510198046 /nfs/dbraw/zinc/19/80/46/510198046.db2.gz FRTYNGNYGKODKX-VAMGGRTRSA-N 1 3 361.574 2.874 20 0 FFADHO COCC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000262390439 510265640 /nfs/dbraw/zinc/26/56/40/510265640.db2.gz PJOIWFWQBDWSFQ-AZUAARDMSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000246157363 510327061 /nfs/dbraw/zinc/32/70/61/510327061.db2.gz DPHIQVQXMJMXDZ-FXAWDEMLSA-N 1 3 358.530 2.764 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246179203 510341478 /nfs/dbraw/zinc/34/14/78/510341478.db2.gz LQPDVASCESYRML-VTHDOGFWSA-N 1 3 370.541 2.966 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000246179203 510341488 /nfs/dbraw/zinc/34/14/88/510341488.db2.gz LQPDVASCESYRML-VTHDOGFWSA-N 1 3 370.541 2.966 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000262648077 510351206 /nfs/dbraw/zinc/35/12/06/510351206.db2.gz PPDUSOMJCCLGJK-CUWPLCDZSA-N 1 3 373.541 2.974 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000262664723 510359384 /nfs/dbraw/zinc/35/93/84/510359384.db2.gz IPAHJRYJAIIOSF-JYBIWHBTSA-N 1 3 361.530 2.576 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000262664723 510359388 /nfs/dbraw/zinc/35/93/88/510359388.db2.gz IPAHJRYJAIIOSF-JYBIWHBTSA-N 1 3 361.530 2.576 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1(C)C ZINC000262753133 510398055 /nfs/dbraw/zinc/39/80/55/510398055.db2.gz AHOWXWBANOQNLR-NBCNXNJRSA-N 1 3 373.541 2.861 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C1 ZINC000246289576 510408968 /nfs/dbraw/zinc/40/89/68/510408968.db2.gz KSJDTWZUGKENMA-MHORFTMASA-N 1 3 352.567 2.725 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C1 ZINC000246289576 510408971 /nfs/dbraw/zinc/40/89/71/510408971.db2.gz KSJDTWZUGKENMA-MHORFTMASA-N 1 3 352.567 2.725 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262809667 510421703 /nfs/dbraw/zinc/42/17/03/510421703.db2.gz QCRXDMAWFJASDZ-SJLPKXTDSA-N 1 3 369.513 2.667 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000171873588 510423139 /nfs/dbraw/zinc/42/31/39/510423139.db2.gz QAEUYWKSHPRUKA-OAQYLSRUSA-N 1 3 372.557 2.821 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000171873588 510423149 /nfs/dbraw/zinc/42/31/49/510423149.db2.gz QAEUYWKSHPRUKA-OAQYLSRUSA-N 1 3 372.557 2.821 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000246338491 510434973 /nfs/dbraw/zinc/43/49/73/510434973.db2.gz OSOQMBIDXYABIV-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000246338491 510434977 /nfs/dbraw/zinc/43/49/77/510434977.db2.gz OSOQMBIDXYABIV-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246342204 510438147 /nfs/dbraw/zinc/43/81/47/510438147.db2.gz DYQCBCHTWGZACI-SESVDKBCSA-N 1 3 370.541 2.948 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246342204 510438154 /nfs/dbraw/zinc/43/81/54/510438154.db2.gz DYQCBCHTWGZACI-SESVDKBCSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000194641772 510459690 /nfs/dbraw/zinc/45/96/90/510459690.db2.gz OICWQSSHFBAWHL-QGZVFWFLSA-N 1 3 350.551 2.815 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000246464390 510504607 /nfs/dbraw/zinc/50/46/07/510504607.db2.gz GIPHVYPNSGQYDH-HZPDHXFCSA-N 1 3 367.563 2.570 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000246464390 510504614 /nfs/dbraw/zinc/50/46/14/510504614.db2.gz GIPHVYPNSGQYDH-HZPDHXFCSA-N 1 3 367.563 2.570 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000178280799 510523846 /nfs/dbraw/zinc/52/38/46/510523846.db2.gz SOYNXMAMOWABST-MJGOQNOKSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000246513985 510530767 /nfs/dbraw/zinc/53/07/67/510530767.db2.gz UHRWZZSBLRHWSF-ZYSHUDEJSA-N 1 3 360.498 2.876 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C12CCCC2 ZINC000181670063 510531104 /nfs/dbraw/zinc/53/11/04/510531104.db2.gz NNEYEIJWSLNXJC-VQTJNVASSA-N 1 3 373.541 2.805 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000246512402 510531682 /nfs/dbraw/zinc/53/16/82/510531682.db2.gz JYDYHJJTHYIEGF-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184885425 510563392 /nfs/dbraw/zinc/56/33/92/510563392.db2.gz JOXBTNFIBBZODP-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184885425 510563398 /nfs/dbraw/zinc/56/33/98/510563398.db2.gz JOXBTNFIBBZODP-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000178530057 510649612 /nfs/dbraw/zinc/64/96/12/510649612.db2.gz KRKQPHQTJCNJCU-INIZCTEOSA-N 1 3 367.493 2.764 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246775176 510667859 /nfs/dbraw/zinc/66/78/59/510667859.db2.gz PLNZSFMOSDHSNY-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000178726726 510741081 /nfs/dbraw/zinc/74/10/81/510741081.db2.gz SJOGIRCRZCOCRJ-RTWAWAEBSA-N 1 3 351.494 2.900 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000175727827 510757896 /nfs/dbraw/zinc/75/78/96/510757896.db2.gz TVUYGTCXIKLJDH-RTWAWAEBSA-N 1 3 372.557 2.866 20 0 FFADHO CC(C)(CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCCC1 ZINC000172517014 510764924 /nfs/dbraw/zinc/76/49/24/510764924.db2.gz KPWCWJMYWPQRFT-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CC(C)(CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCCC1 ZINC000172517014 510764928 /nfs/dbraw/zinc/76/49/28/510764928.db2.gz KPWCWJMYWPQRFT-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270346392 510771415 /nfs/dbraw/zinc/77/14/15/510771415.db2.gz OUKNXKMIONJAMG-SFTDATJTSA-N 1 3 372.557 2.533 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)c(C)c2)CC1 ZINC000195301880 510771823 /nfs/dbraw/zinc/77/18/23/510771823.db2.gz RTYIFMKNXKPTQL-UHFFFAOYSA-N 1 3 370.541 2.950 20 0 FFADHO CS[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000172532078 510775478 /nfs/dbraw/zinc/77/54/78/510775478.db2.gz NXJANOAKLWJJQO-LJQANCHMSA-N 1 3 361.555 2.766 20 0 FFADHO [NH3+]C[C@H](C(=O)NCC1(N2CCSCC2)CCCCC1)c1ccccc1 ZINC000178795698 510776131 /nfs/dbraw/zinc/77/61/31/510776131.db2.gz SPHUSORKYNVFJU-SFHVURJKSA-N 1 3 361.555 2.597 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000188479898 510788692 /nfs/dbraw/zinc/78/86/92/510788692.db2.gz QQJYKNUUTMFEJE-MRXNPFEDSA-N 1 3 352.548 2.868 20 0 FFADHO CN(CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000172562297 510793446 /nfs/dbraw/zinc/79/34/46/510793446.db2.gz BKPLEPBXFPPAFE-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CN(CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000172562297 510793454 /nfs/dbraw/zinc/79/34/54/510793454.db2.gz BKPLEPBXFPPAFE-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343427 510793658 /nfs/dbraw/zinc/79/36/58/510793658.db2.gz XACMQUHTBZGEBJ-VQIMIIECSA-N 1 3 350.551 2.765 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)cc2)CC1 ZINC000182223999 510821364 /nfs/dbraw/zinc/82/13/64/510821364.db2.gz LTSBLEVDILLBJR-LJQANCHMSA-N 1 3 372.557 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)C1CC1 ZINC000185375841 510827481 /nfs/dbraw/zinc/82/74/81/510827481.db2.gz PKGQQSFURCMYFS-FQEVSTJZSA-N 1 3 358.530 2.538 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000182260292 510837195 /nfs/dbraw/zinc/83/71/95/510837195.db2.gz UARUVTHYFSVRJD-BQJUDKOJSA-N 1 3 356.510 2.691 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000247269794 510854733 /nfs/dbraw/zinc/85/47/33/510854733.db2.gz RDKYKCXUCOHSRO-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000247269794 510854734 /nfs/dbraw/zinc/85/47/34/510854734.db2.gz RDKYKCXUCOHSRO-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CC[NH+]1CCN(C)CC1)N[C@H](C)c1ncc(Br)cc1F ZINC000275383616 510893302 /nfs/dbraw/zinc/89/33/02/510893302.db2.gz XVSGIRMQDWCVGA-CHWSQXEVSA-N 1 3 373.314 2.660 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000285477603 510922322 /nfs/dbraw/zinc/92/23/22/510922322.db2.gz BOAMWMIIRVCYPL-WIYYLYMNSA-N 1 3 370.541 2.919 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297454807 510951181 /nfs/dbraw/zinc/95/11/81/510951181.db2.gz JQTUVWUKGCMEQV-YQQQUEKLSA-N 1 3 358.530 2.821 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297454807 510951187 /nfs/dbraw/zinc/95/11/87/510951187.db2.gz JQTUVWUKGCMEQV-YQQQUEKLSA-N 1 3 358.530 2.821 20 0 FFADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(SC)cc1OC ZINC000282505262 511004393 /nfs/dbraw/zinc/00/43/93/511004393.db2.gz WZKLYNXBFVUGJI-UHFFFAOYSA-N 1 3 367.559 2.541 20 0 FFADHO Cc1ccc(C[NH2+]CC2(O)CCN(C(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282724605 511087639 /nfs/dbraw/zinc/08/76/39/511087639.db2.gz SBKLQMSSEVSECF-UHFFFAOYSA-N 1 3 356.514 2.720 20 0 FFADHO O=C1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc2N1 ZINC000332891037 511141095 /nfs/dbraw/zinc/14/10/95/511141095.db2.gz UJWNRWGJHFWFNP-ZCNNSNEGSA-N 1 3 357.498 2.818 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(C[C@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC000364939339 511165293 /nfs/dbraw/zinc/16/52/93/511165293.db2.gz AGAPSNYPDYTATD-IBGZPJMESA-N 1 3 365.949 2.723 20 0 FFADHO COC[C@@H](NCc1cc(C[NH2+][C@H](COC)C2CC2)ccc1F)C1CC1 ZINC000295022427 511255705 /nfs/dbraw/zinc/25/57/05/511255705.db2.gz QSMUGYTYZLGLEY-WOJBJXKFSA-N 1 3 350.478 2.855 20 0 FFADHO C[NH+]1CCC(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000291588605 511258101 /nfs/dbraw/zinc/25/81/01/511258101.db2.gz VTRKFOMQQCDHPV-UHFFFAOYSA-N 1 3 361.555 2.948 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000283170761 511262401 /nfs/dbraw/zinc/26/24/01/511262401.db2.gz JDEZRTPNKHRFNT-UXHICEINSA-N 1 3 373.541 2.784 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccsc1 ZINC000291629742 511275341 /nfs/dbraw/zinc/27/53/41/511275341.db2.gz LIGNBMFWLXCWFX-HKUYNNGSSA-N 1 3 364.559 2.868 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccsc1 ZINC000291629742 511275344 /nfs/dbraw/zinc/27/53/44/511275344.db2.gz LIGNBMFWLXCWFX-HKUYNNGSSA-N 1 3 364.559 2.868 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333554042 511283468 /nfs/dbraw/zinc/28/34/68/511283468.db2.gz PQSCCLWJDYPYKW-CZGNGVECSA-N 1 3 362.562 2.512 20 0 FFADHO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000333589647 511294184 /nfs/dbraw/zinc/29/41/84/511294184.db2.gz LAXFYIZNIWUMSV-VQTJNVASSA-N 1 3 355.486 2.777 20 0 FFADHO C[C@@H](NCCCC[NH+](C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280097462 511334219 /nfs/dbraw/zinc/33/42/19/511334219.db2.gz MWBQGKLAIIBBMO-SNVBAGLBSA-N 1 3 368.330 2.633 20 0 FFADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271815204 511335557 /nfs/dbraw/zinc/33/55/57/511335557.db2.gz UZSJMRKIIOHGNJ-VQIMIIECSA-N 1 3 359.514 2.869 20 0 FFADHO C=Cc1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000291905031 511385436 /nfs/dbraw/zinc/38/54/36/511385436.db2.gz RJYYXJKIDQJQRI-UHFFFAOYSA-N 1 3 370.541 2.730 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000303427034 511738125 /nfs/dbraw/zinc/73/81/25/511738125.db2.gz AXAOYKBZFFEDOA-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000303427034 511738129 /nfs/dbraw/zinc/73/81/29/511738129.db2.gz AXAOYKBZFFEDOA-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092435 511818664 /nfs/dbraw/zinc/81/86/64/511818664.db2.gz UUZKEPREWQBPCW-IUODEOHRSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092435 511818669 /nfs/dbraw/zinc/81/86/69/511818669.db2.gz UUZKEPREWQBPCW-IUODEOHRSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092435 511818672 /nfs/dbraw/zinc/81/86/72/511818672.db2.gz UUZKEPREWQBPCW-IUODEOHRSA-N 1 3 359.297 2.807 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363958042 511873415 /nfs/dbraw/zinc/87/34/15/511873415.db2.gz DZFUMFUKPSNXHG-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363958042 511873422 /nfs/dbraw/zinc/87/34/22/511873422.db2.gz DZFUMFUKPSNXHG-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO CN1CCC(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000366337227 511964457 /nfs/dbraw/zinc/96/44/57/511964457.db2.gz VLPKXXLHKCSOQQ-RTWAWAEBSA-N 1 3 355.526 2.699 20 0 FFADHO CN1CCC(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000366337227 511964463 /nfs/dbraw/zinc/96/44/63/511964463.db2.gz VLPKXXLHKCSOQQ-RTWAWAEBSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274907704 511984613 /nfs/dbraw/zinc/98/46/13/511984613.db2.gz MNAMVMMXGSYGNR-BVSLBCMMSA-N 1 3 371.569 2.988 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(F)cc(F)c3F)CC2)CC1 ZINC000297090562 512015825 /nfs/dbraw/zinc/01/58/25/512015825.db2.gz OQTDTFSVBSKAMC-UHFFFAOYSA-N 1 3 370.419 2.784 20 0 FFADHO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000275206691 512074971 /nfs/dbraw/zinc/07/49/71/512074971.db2.gz JAIHZHJMQOJFRP-DZFGPLHGSA-N 1 3 373.541 2.703 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000371581108 512477437 /nfs/dbraw/zinc/47/74/37/512477437.db2.gz PYXCOIHRRQXEEI-LJQANCHMSA-N 1 3 370.541 2.863 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000371581108 512477438 /nfs/dbraw/zinc/47/74/38/512477438.db2.gz PYXCOIHRRQXEEI-LJQANCHMSA-N 1 3 370.541 2.863 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369582235 512493463 /nfs/dbraw/zinc/49/34/63/512493463.db2.gz MWCAKYLXNYEIIG-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369582235 512493467 /nfs/dbraw/zinc/49/34/67/512493467.db2.gz MWCAKYLXNYEIIG-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000373824946 512524144 /nfs/dbraw/zinc/52/41/44/512524144.db2.gz HNTHMGUUDULAOM-NEWSRXKRSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000373824946 512524146 /nfs/dbraw/zinc/52/41/46/512524146.db2.gz HNTHMGUUDULAOM-NEWSRXKRSA-N 1 3 350.551 2.908 20 0 FFADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000367511853 512536190 /nfs/dbraw/zinc/53/61/90/512536190.db2.gz GNCBERHVMULYPV-QZTJIDSGSA-N 1 3 365.468 2.602 20 0 FFADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000367511853 512536195 /nfs/dbraw/zinc/53/61/95/512536195.db2.gz GNCBERHVMULYPV-QZTJIDSGSA-N 1 3 365.468 2.602 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371741524 512551686 /nfs/dbraw/zinc/55/16/86/512551686.db2.gz LYQTYQUGTYNUJU-SJORKVTESA-N 1 3 362.543 2.765 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000371741524 512551691 /nfs/dbraw/zinc/55/16/91/512551691.db2.gz LYQTYQUGTYNUJU-SJORKVTESA-N 1 3 362.543 2.765 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)N(C)C)cc1OC ZINC000367625977 512590285 /nfs/dbraw/zinc/59/02/85/512590285.db2.gz MCWNEFDOVVEVAQ-MANSERQUSA-N 1 3 361.530 2.769 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N(C)C)cc1OC ZINC000367625977 512590292 /nfs/dbraw/zinc/59/02/92/512590292.db2.gz MCWNEFDOVVEVAQ-MANSERQUSA-N 1 3 361.530 2.769 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)N(C)C)cc1OC ZINC000367625977 512590293 /nfs/dbraw/zinc/59/02/93/512590293.db2.gz MCWNEFDOVVEVAQ-MANSERQUSA-N 1 3 361.530 2.769 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000367654887 512601378 /nfs/dbraw/zinc/60/13/78/512601378.db2.gz WXDNJFINNOHMCS-WMZOPIPTSA-N 1 3 369.431 2.595 20 0 FFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000378191427 512631206 /nfs/dbraw/zinc/63/12/06/512631206.db2.gz PLBOGXIYRYLOAJ-OHSMVPPVSA-N 1 3 359.489 2.909 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cn2)C[C@@H](C)O1 ZINC000367759683 512651335 /nfs/dbraw/zinc/65/13/35/512651335.db2.gz ZFJXWWBIZAOGMR-SCQOQHIRSA-N 1 3 358.530 2.658 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cn2)C[C@@H](C)O1 ZINC000367759683 512651339 /nfs/dbraw/zinc/65/13/39/512651339.db2.gz ZFJXWWBIZAOGMR-SCQOQHIRSA-N 1 3 358.530 2.658 20 0 FFADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cn2)C[C@@H](C)O1 ZINC000367759683 512651343 /nfs/dbraw/zinc/65/13/43/512651343.db2.gz ZFJXWWBIZAOGMR-SCQOQHIRSA-N 1 3 358.530 2.658 20 0 FFADHO CCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000411553367 512686108 /nfs/dbraw/zinc/68/61/08/512686108.db2.gz RMGJZBMRXVGXLC-QZTJIDSGSA-N 1 3 353.551 2.549 20 0 FFADHO C[C@@H]1CCN(C(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000382768390 512878811 /nfs/dbraw/zinc/87/88/11/512878811.db2.gz YXFXEKSFABNVTG-GOSISDBHSA-N 1 3 351.494 2.924 20 0 FFADHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000397506644 512945718 /nfs/dbraw/zinc/94/57/18/512945718.db2.gz JKNIPEHJXYASNV-XUVXKRRUSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412094662 512957428 /nfs/dbraw/zinc/95/74/28/512957428.db2.gz SMWVTJYOMJVMSC-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412094662 512957433 /nfs/dbraw/zinc/95/74/33/512957433.db2.gz SMWVTJYOMJVMSC-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1CN1CCC[C@@H](CO)[C@@H]1C ZINC000412094662 512957435 /nfs/dbraw/zinc/95/74/35/512957435.db2.gz SMWVTJYOMJVMSC-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1CN1CCC[C@@H](CO)[C@@H]1C ZINC000412094662 512957439 /nfs/dbraw/zinc/95/74/39/512957439.db2.gz SMWVTJYOMJVMSC-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC)c(OC)c1 ZINC000370636634 513026263 /nfs/dbraw/zinc/02/62/63/513026263.db2.gz RZTCKAKCJJTPGT-HKUYNNGSSA-N 1 3 361.530 2.913 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000377034975 513096036 /nfs/dbraw/zinc/09/60/36/513096036.db2.gz QXSBNAYXLGRXIB-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000445896337 513141377 /nfs/dbraw/zinc/14/13/77/513141377.db2.gz ZPJXVIKVARSDOI-CVEARBPZSA-N 1 3 359.436 2.972 20 0 FFADHO Cc1ccc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)c(OCCN(C)C)c1 ZINC000415206676 513152843 /nfs/dbraw/zinc/15/28/43/513152843.db2.gz SREKLKBBKPJPOS-LJQANCHMSA-N 1 3 350.507 2.820 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417676667 513155703 /nfs/dbraw/zinc/15/57/03/513155703.db2.gz DDTOZGFLYLGKGF-XKGZKEIXSA-N 1 3 372.557 2.838 20 0 FFADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417690999 513163594 /nfs/dbraw/zinc/16/35/94/513163594.db2.gz WEIAKGLDSSEAHI-LZQZEXGQSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000417698490 513169565 /nfs/dbraw/zinc/16/95/65/513169565.db2.gz GIFWTEACDOFRRH-WNHJNPCNSA-N 1 3 358.530 2.885 20 0 FFADHO COc1cc(OCCN(C)C)ccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000412572942 513169969 /nfs/dbraw/zinc/16/99/69/513169969.db2.gz MISBCMHQXMZWQL-INIZCTEOSA-N 1 3 363.502 2.839 20 0 FFADHO COc1cc(OCCN(C)C)ccc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000412572942 513169972 /nfs/dbraw/zinc/16/99/72/513169972.db2.gz MISBCMHQXMZWQL-INIZCTEOSA-N 1 3 363.502 2.839 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417703249 513172439 /nfs/dbraw/zinc/17/24/39/513172439.db2.gz PBMFOOAWOWJYAA-GUDVDZBRSA-N 1 3 350.551 2.815 20 0 FFADHO CN(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000415301092 513194631 /nfs/dbraw/zinc/19/46/31/513194631.db2.gz ASKPAXBMDFGRFN-IBGZPJMESA-N 1 3 360.502 2.752 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000417816037 513218074 /nfs/dbraw/zinc/21/80/74/513218074.db2.gz BYLWTHJNTPFYEE-XEYPJELSSA-N 1 3 358.530 2.666 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cccc(C2CC2)c1 ZINC000421342868 513230633 /nfs/dbraw/zinc/23/06/33/513230633.db2.gz OYYZXQVWWVVQRO-QFIPXVFZSA-N 1 3 365.521 2.943 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428951199 513231518 /nfs/dbraw/zinc/23/15/18/513231518.db2.gz FDTBDJKSTOMBKW-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417840183 513231511 /nfs/dbraw/zinc/23/15/11/513231511.db2.gz ZNCDTEKLXADKSF-XCJLJZCSSA-N 1 3 372.557 2.961 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](CC[NH3+])C2)CCN1Cc1ccccc1 ZINC000417841756 513232535 /nfs/dbraw/zinc/23/25/35/513232535.db2.gz PCEYQMSQASDRRE-HOJAQTOUSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417852432 513239164 /nfs/dbraw/zinc/23/91/64/513239164.db2.gz ZIHQKRQODSFKKF-ZWOKBUDYSA-N 1 3 358.530 2.808 20 0 FFADHO CCn1cncc1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000417859756 513243283 /nfs/dbraw/zinc/24/32/83/513243283.db2.gz SPFRQDDCNMQVJE-UHFFFAOYSA-N 1 3 355.530 2.903 20 0 FFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003230 513248744 /nfs/dbraw/zinc/24/87/44/513248744.db2.gz PFGMTYIPPLXKHH-GIWBLDEGSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003230 513248746 /nfs/dbraw/zinc/24/87/46/513248746.db2.gz PFGMTYIPPLXKHH-GIWBLDEGSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@H]1C[C@@H]1N1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003230 513248750 /nfs/dbraw/zinc/24/87/50/513248750.db2.gz PFGMTYIPPLXKHH-GIWBLDEGSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@H]1C[C@@H]1N1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003230 513248752 /nfs/dbraw/zinc/24/87/52/513248752.db2.gz PFGMTYIPPLXKHH-GIWBLDEGSA-N 1 3 370.585 2.861 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000440221857 513276918 /nfs/dbraw/zinc/27/69/18/513276918.db2.gz AMBLULKLODAZSO-AZUAARDMSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000440221857 513276924 /nfs/dbraw/zinc/27/69/24/513276924.db2.gz AMBLULKLODAZSO-AZUAARDMSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)NC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000417922357 513278865 /nfs/dbraw/zinc/27/88/65/513278865.db2.gz ISKNUPISHOXXPU-SOAMZJECSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)NC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000417922357 513278870 /nfs/dbraw/zinc/27/88/70/513278870.db2.gz ISKNUPISHOXXPU-SOAMZJECSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417935476 513287568 /nfs/dbraw/zinc/28/75/68/513287568.db2.gz RDJFSOIEQHWLAH-UZLBHIALSA-N 1 3 367.497 2.606 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000429159657 513294165 /nfs/dbraw/zinc/29/41/65/513294165.db2.gz GACDOJCHIAOELV-UTKZUKDTSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)C(=O)c1ccccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000417974030 513311597 /nfs/dbraw/zinc/31/15/97/513311597.db2.gz VIGSOUOGKAEPBR-UHFFFAOYSA-N 1 3 352.482 2.790 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000418005181 513329973 /nfs/dbraw/zinc/32/99/73/513329973.db2.gz DCSBPOLTORLWDP-PXNSSMCTSA-N 1 3 358.530 2.538 20 0 FFADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1OC ZINC000429299967 513334226 /nfs/dbraw/zinc/33/42/26/513334226.db2.gz HRJHYKWIEFGBAD-GUDVDZBRSA-N 1 3 361.530 2.589 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418021792 513337475 /nfs/dbraw/zinc/33/74/75/513337475.db2.gz AGANBDHEJVYAHR-IRLDBZIGSA-N 1 3 372.557 2.928 20 0 FFADHO OCC[C@H]1CCC[N@H+]1Cc1ccc(F)c(CN2CCC[C@H]2CCO)c1 ZINC000450787180 513341633 /nfs/dbraw/zinc/34/16/33/513341633.db2.gz ICKQQRYWOVIWPR-MOPGFXCFSA-N 1 3 350.478 2.519 20 0 FFADHO OCC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(CN2CCC[C@H]2CCO)c1 ZINC000450787180 513341645 /nfs/dbraw/zinc/34/16/45/513341645.db2.gz ICKQQRYWOVIWPR-MOPGFXCFSA-N 1 3 350.478 2.519 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418044003 513351533 /nfs/dbraw/zinc/35/15/33/513351533.db2.gz ZMYMCBBZZMFLTC-ZCNNSNEGSA-N 1 3 358.530 2.536 20 0 FFADHO CCCN(C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000418144587 513389490 /nfs/dbraw/zinc/38/94/90/513389490.db2.gz NLYBDEHLWVLTMY-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000418162286 513399396 /nfs/dbraw/zinc/39/93/96/513399396.db2.gz CRSVAEOCXKEHEO-DLBZAZTESA-N 1 3 352.910 2.759 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000440775378 513401809 /nfs/dbraw/zinc/40/18/09/513401809.db2.gz NPROTZLEYQSZLE-ZHALLVOQSA-N 1 3 350.551 2.667 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccco1 ZINC000418172955 513405255 /nfs/dbraw/zinc/40/52/55/513405255.db2.gz XSIOMTQSOCLCLN-KANFNMMFSA-N 1 3 370.497 2.845 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCN1Cc1ccccc1 ZINC000418197992 513417882 /nfs/dbraw/zinc/41/78/82/513417882.db2.gz URENAOSXQFOZBE-JRGCBEDISA-N 1 3 370.541 2.681 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418227240 513430588 /nfs/dbraw/zinc/43/05/88/513430588.db2.gz CCCHOWRHKIPTQC-AEFFLSMTSA-N 1 3 362.543 2.547 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000418230839 513432471 /nfs/dbraw/zinc/43/24/71/513432471.db2.gz KAJORNMENSEQFF-KBXCAEBGSA-N 1 3 364.559 2.780 20 0 FFADHO CC[C@H]([NH3+])CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415810992 513432781 /nfs/dbraw/zinc/43/27/81/513432781.db2.gz WTLXOHMMIQZVSD-ZDUSSCGKSA-N 1 3 354.882 2.672 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000418233643 513433276 /nfs/dbraw/zinc/43/32/76/513433276.db2.gz OQUJQGHKONFQPX-FUHWJXTLSA-N 1 3 364.559 2.795 20 0 FFADHO CCCN(C(=O)NCC1(N(C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000418235585 513435170 /nfs/dbraw/zinc/43/51/70/513435170.db2.gz AHLWWXZAILOKEG-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)N(C)C)cc1 ZINC000418239100 513436437 /nfs/dbraw/zinc/43/64/37/513436437.db2.gz YGINDRYAVGDFDA-QAPCUYQASA-N 1 3 364.559 2.782 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000415881085 513461163 /nfs/dbraw/zinc/46/11/63/513461163.db2.gz SYBRRZUZUHIEJO-LJQANCHMSA-N 1 3 373.545 2.925 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000415881085 513461170 /nfs/dbraw/zinc/46/11/70/513461170.db2.gz SYBRRZUZUHIEJO-LJQANCHMSA-N 1 3 373.545 2.925 20 0 FFADHO CC[NH+]1CCC(NC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000441017775 513462113 /nfs/dbraw/zinc/46/21/13/513462113.db2.gz ZFFIVPMVYBNLTE-UHFFFAOYSA-N 1 3 350.551 2.816 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000441064699 513472896 /nfs/dbraw/zinc/47/28/96/513472896.db2.gz OQSXDUDKYUPXSP-BBWFWOEESA-N 1 3 350.551 2.811 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000441064699 513472899 /nfs/dbraw/zinc/47/28/99/513472899.db2.gz OQSXDUDKYUPXSP-BBWFWOEESA-N 1 3 350.551 2.811 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418347249 513475634 /nfs/dbraw/zinc/47/56/34/513475634.db2.gz NIONSDRYFIVFON-FQEVSTJZSA-N 1 3 360.546 2.582 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418357564 513481514 /nfs/dbraw/zinc/48/15/14/513481514.db2.gz CXEQHCKXAUMVMP-MRXNPFEDSA-N 1 3 372.435 2.531 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418421781 513501848 /nfs/dbraw/zinc/50/18/48/513501848.db2.gz BXHCPQYSBYVJHJ-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976876 513512005 /nfs/dbraw/zinc/51/20/05/513512005.db2.gz VZLBYINECXTEIQ-LBPRGKRZSA-N 1 3 358.408 2.970 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976876 513512010 /nfs/dbraw/zinc/51/20/10/513512010.db2.gz VZLBYINECXTEIQ-LBPRGKRZSA-N 1 3 358.408 2.970 20 0 FFADHO CC1(C)CN(C(=O)NCC2C[NH2+]C2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418482430 513528721 /nfs/dbraw/zinc/52/87/21/513528721.db2.gz DPJOVNWGEHAUCZ-FQEVSTJZSA-N 1 3 370.541 2.538 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000418497082 513533409 /nfs/dbraw/zinc/53/34/09/513533409.db2.gz GNVPNHKTNKXLKD-ZCNNSNEGSA-N 1 3 352.482 2.527 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000416007570 513534895 /nfs/dbraw/zinc/53/48/95/513534895.db2.gz MYFOCNZXMPIMRM-TZMCWYRMSA-N 1 3 360.424 2.695 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416018872 513541184 /nfs/dbraw/zinc/54/11/84/513541184.db2.gz ZGPXIVDVICUXEO-OAHLLOKOSA-N 1 3 360.424 2.559 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000441352026 513549337 /nfs/dbraw/zinc/54/93/37/513549337.db2.gz DCZCCGBVIHUWME-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416038704 513551527 /nfs/dbraw/zinc/55/15/27/513551527.db2.gz FEZTXDZUKBDSTO-CYBMUJFWSA-N 1 3 366.472 2.808 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418557146 513557225 /nfs/dbraw/zinc/55/72/25/513557225.db2.gz FSOQPDHYBWGHJZ-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418562181 513558071 /nfs/dbraw/zinc/55/80/71/513558071.db2.gz UAUAPDBIDVQCTN-DFQSSKMNSA-N 1 3 358.530 2.538 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000418609174 513575887 /nfs/dbraw/zinc/57/58/87/513575887.db2.gz BTEWPUBBVUSKMC-DLBZAZTESA-N 1 3 352.910 2.759 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418608912 513575957 /nfs/dbraw/zinc/57/59/57/513575957.db2.gz ZKEYEPUWWZCKHJ-GHTZIAJQSA-N 1 3 370.541 2.991 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418610116 513576554 /nfs/dbraw/zinc/57/65/54/513576554.db2.gz FOMWALHIPWLJCM-KVPLUYHFSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000418609673 513577349 /nfs/dbraw/zinc/57/73/49/513577349.db2.gz COMZCQYMFYTFDT-YLJYHZDGSA-N 1 3 358.530 2.810 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418646846 513589750 /nfs/dbraw/zinc/58/97/50/513589750.db2.gz FXHNQKACXRVQGT-FOQJIBBJSA-N 1 3 370.541 2.702 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418659267 513598878 /nfs/dbraw/zinc/59/88/78/513598878.db2.gz LIWIRVVIWFVILL-DZFGPLHGSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418659268 513599323 /nfs/dbraw/zinc/59/93/23/513599323.db2.gz LIWIRVVIWFVILL-JRGCBEDISA-N 1 3 370.541 2.681 20 0 FFADHO CN(CCC(=O)Nc1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435623421 513641177 /nfs/dbraw/zinc/64/11/77/513641177.db2.gz UWGUDBYLSCCHBQ-OAHLLOKOSA-N 1 3 354.292 2.852 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418796852 513661038 /nfs/dbraw/zinc/66/10/38/513661038.db2.gz RNXVQPHRUYFFJL-HSALFYBXSA-N 1 3 370.541 2.681 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)[C@@H]2C1 ZINC000425647973 513677061 /nfs/dbraw/zinc/67/70/61/513677061.db2.gz IBHHZMITXPNJAM-VQTJNVASSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@@H](CCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000425682955 513701270 /nfs/dbraw/zinc/70/12/70/513701270.db2.gz QAHIDGAGRCXDFV-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000425682955 513701275 /nfs/dbraw/zinc/70/12/75/513701275.db2.gz QAHIDGAGRCXDFV-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430698189 513727046 /nfs/dbraw/zinc/72/70/46/513727046.db2.gz COFKYXBMHSEXQR-TYPHKJRUSA-N 1 3 371.525 2.698 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000430756179 513741115 /nfs/dbraw/zinc/74/11/15/513741115.db2.gz BMTHSTKTWITASB-DBXWQHBBSA-N 1 3 373.541 2.549 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000442598354 513742313 /nfs/dbraw/zinc/74/23/13/513742313.db2.gz AJYJONAJVJBOAZ-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCOc1ccc2ccccc2c1 ZINC000436066489 513750486 /nfs/dbraw/zinc/75/04/86/513750486.db2.gz RBHKIFNJIOTURD-IBGZPJMESA-N 1 3 355.482 2.538 20 0 FFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430874890 513769569 /nfs/dbraw/zinc/76/95/69/513769569.db2.gz IYHJLPKFIBQKFM-SFHVURJKSA-N 1 3 360.502 2.813 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000430913637 513780082 /nfs/dbraw/zinc/78/00/82/513780082.db2.gz WVNVKCNHWUUUBB-VQTJNVASSA-N 1 3 361.530 2.583 20 0 FFADHO CO[C@@H]1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000451574736 513844581 /nfs/dbraw/zinc/84/45/81/513844581.db2.gz RXZXHIDMUMBNAY-BBTUJRGHSA-N 1 3 373.541 2.513 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443059772 513856960 /nfs/dbraw/zinc/85/69/60/513856960.db2.gz DEHAJESOVGTBKS-ICGULJKJSA-N 1 3 367.537 2.888 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443059772 513856969 /nfs/dbraw/zinc/85/69/69/513856969.db2.gz DEHAJESOVGTBKS-ICGULJKJSA-N 1 3 367.537 2.888 20 0 FFADHO CN(C)C(=O)c1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000436470050 513862097 /nfs/dbraw/zinc/86/20/97/513862097.db2.gz HHPCKPIINVJOKJ-UHFFFAOYSA-N 1 3 352.482 2.585 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCN1Cc1ccccc1 ZINC000422607282 513869060 /nfs/dbraw/zinc/86/90/60/513869060.db2.gz TZMBRJJLJDEEGG-MJGOQNOKSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443232910 513907815 /nfs/dbraw/zinc/90/78/15/513907815.db2.gz XZRCSRGEQOONAI-IEBWSBKVSA-N 1 3 360.546 2.927 20 0 FFADHO COC[C@H](CCC[NH3+])NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422705903 513908310 /nfs/dbraw/zinc/90/83/10/513908310.db2.gz CXUHKUGKXRMFGT-IBGZPJMESA-N 1 3 359.445 2.922 20 0 FFADHO CN1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422712884 513909718 /nfs/dbraw/zinc/90/97/18/513909718.db2.gz OUQGMTVUKGDFAC-XPWALMASSA-N 1 3 370.585 2.834 20 0 FFADHO COCCN(C)CCOc1cccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422713229 513910435 /nfs/dbraw/zinc/91/04/35/513910435.db2.gz PMNOEMYHBADXEY-FGZHOGPDSA-N 1 3 369.509 2.878 20 0 FFADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(OCC(=O)NC3CC3)cc2)c2ccccc21 ZINC000422718377 513912896 /nfs/dbraw/zinc/91/28/96/513912896.db2.gz XCLSXKBGFQOOSV-NHCUHLMSSA-N 1 3 365.477 2.621 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422717953 513913018 /nfs/dbraw/zinc/91/30/18/513913018.db2.gz WMRKUCXWOMJZOA-YLJYHZDGSA-N 1 3 373.541 2.787 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cc(Cl)ccc2OC)CC[NH2+]CC1 ZINC000422752161 513922206 /nfs/dbraw/zinc/92/22/06/513922206.db2.gz APMPMMQRDJZEEZ-CYBMUJFWSA-N 1 3 354.878 2.760 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1CN1CCOCC1 ZINC000422756903 513923782 /nfs/dbraw/zinc/92/37/82/513923782.db2.gz CPXDOFFKNVLWRO-GCJKJVERSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000422756903 513923786 /nfs/dbraw/zinc/92/37/86/513923786.db2.gz CPXDOFFKNVLWRO-GCJKJVERSA-N 1 3 353.510 2.567 20 0 FFADHO c1cc(CN2CCOCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422761814 513924115 /nfs/dbraw/zinc/92/41/15/513924115.db2.gz HQYBSUQTXYRACM-BHIFYINESA-N 1 3 357.542 2.919 20 0 FFADHO CC[C@@H]([NH2+]CCN1CCc2cc(OC)c(OC)cc2C1)[C@H]1CCCCN1 ZINC000422769899 513927133 /nfs/dbraw/zinc/92/71/33/513927133.db2.gz UJJDPBGMUKLTTK-RTBURBONSA-N 1 3 361.530 2.572 20 0 FFADHO c1cc(C[NH+]2CCCCCC2)ccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422777880 513929490 /nfs/dbraw/zinc/92/94/90/513929490.db2.gz GNDWTKGHYXFSKG-YADHBBJMSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCC[C@@H]2N)c2c(F)cccc2Cl)CCO1 ZINC000422874437 513959355 /nfs/dbraw/zinc/95/93/55/513959355.db2.gz CXOAGXSTJJHQDJ-VJUNAUMWSA-N 1 3 355.885 2.710 20 0 FFADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)C1 ZINC000422885422 513964111 /nfs/dbraw/zinc/96/41/11/513964111.db2.gz YOVDLWRIISGQSC-JOCBIADPSA-N 1 3 351.922 2.817 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)c2cccs2)CC1 ZINC000416828486 513987772 /nfs/dbraw/zinc/98/77/72/513987772.db2.gz DWSOAQPLHRHQBQ-CVEARBPZSA-N 1 3 350.532 2.558 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422956309 513991148 /nfs/dbraw/zinc/99/11/48/513991148.db2.gz PFWSMLINFJABMW-GXTWGEPZSA-N 1 3 354.292 2.803 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422961623 513993298 /nfs/dbraw/zinc/99/32/98/513993298.db2.gz COHOGIPNMRCCCS-BHIFYINESA-N 1 3 368.525 2.860 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000416841416 513996571 /nfs/dbraw/zinc/99/65/71/513996571.db2.gz MABSWBJTBLFDFR-HZPDHXFCSA-N 1 3 350.532 2.716 20 0 FFADHO Cc1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C)s1 ZINC000414181652 513999840 /nfs/dbraw/zinc/99/98/40/513999840.db2.gz CFHOHHAFNZRXLK-MRXNPFEDSA-N 1 3 351.560 2.812 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416847563 514000298 /nfs/dbraw/zinc/00/02/98/514000298.db2.gz VJNQPQYNJXTRNO-ARFHVFGLSA-N 1 3 350.532 2.702 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000416849892 514001043 /nfs/dbraw/zinc/00/10/43/514001043.db2.gz YPTNHSRTQFTCEL-FPOVZHCZSA-N 1 3 358.530 2.637 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416853334 514005369 /nfs/dbraw/zinc/00/53/69/514005369.db2.gz UABSMSSRMDHHIA-IRXDYDNUSA-N 1 3 364.559 2.915 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)N2CCCC2)c1 ZINC000416853932 514005472 /nfs/dbraw/zinc/00/54/72/514005472.db2.gz OMYAUHXUNJXKRD-UXHICEINSA-N 1 3 374.529 2.649 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416858128 514007409 /nfs/dbraw/zinc/00/74/09/514007409.db2.gz SKQQPACFJWDMOZ-HQRMLTQVSA-N 1 3 374.529 2.519 20 0 FFADHO CCC[C@H](Cc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205279 514010668 /nfs/dbraw/zinc/01/06/68/514010668.db2.gz XHRKJLIZWCKXDU-OAQYLSRUSA-N 1 3 359.558 2.784 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031217 514012352 /nfs/dbraw/zinc/01/23/52/514012352.db2.gz WVIKERVMQZBZBK-GTZSGAPKSA-N 1 3 369.912 2.814 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031217 514012359 /nfs/dbraw/zinc/01/23/59/514012359.db2.gz WVIKERVMQZBZBK-GTZSGAPKSA-N 1 3 369.912 2.814 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1ccccc1Br ZINC000423073037 514028583 /nfs/dbraw/zinc/02/85/83/514028583.db2.gz IDJQYVPOEKPOJD-XKQJLSEDSA-N 1 3 355.320 2.850 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000423077270 514031409 /nfs/dbraw/zinc/03/14/09/514031409.db2.gz STXASMDBCILXRZ-DJIMGWMZSA-N 1 3 355.320 2.850 20 0 FFADHO CC1CC[NH+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414280128 514032393 /nfs/dbraw/zinc/03/23/93/514032393.db2.gz CDNVNUKXMFSLKW-UHFFFAOYSA-N 1 3 373.950 2.589 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(S(C)(=O)=O)s2)C1 ZINC000414298151 514037331 /nfs/dbraw/zinc/03/73/31/514037331.db2.gz ZAHHOHFJFNZEHR-HUUCEWRRSA-N 1 3 358.573 2.999 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cn(C)c2ccc(F)cc12 ZINC000431928006 514043649 /nfs/dbraw/zinc/04/36/49/514043649.db2.gz UCSBLCGOGXUJJO-QGZVFWFLSA-N 1 3 374.504 2.806 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cn(C)c2ccc(F)cc12 ZINC000431928006 514043655 /nfs/dbraw/zinc/04/36/55/514043655.db2.gz UCSBLCGOGXUJJO-QGZVFWFLSA-N 1 3 374.504 2.806 20 0 FFADHO COc1ccc([C@H](CO)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423173479 514069298 /nfs/dbraw/zinc/06/92/98/514069298.db2.gz YXKYJPXYBNMKFZ-UCNVEGJOSA-N 1 3 368.477 2.617 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnc(N(C)C)n1C ZINC000414374780 514075229 /nfs/dbraw/zinc/07/52/29/514075229.db2.gz DHZBTYSNYFNVFY-IRXDYDNUSA-N 1 3 355.530 2.732 20 0 FFADHO Clc1cc2c(c(Br)c1)CC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423204139 514078904 /nfs/dbraw/zinc/07/89/04/514078904.db2.gz NRJJSGZUEQJYGN-OAHLLOKOSA-N 1 3 358.711 2.585 20 0 FFADHO COc1ccc([C@@H](NCCN2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423210154 514079558 /nfs/dbraw/zinc/07/95/58/514079558.db2.gz VZORPWJEPVLKRJ-KRWDZBQOSA-N 1 3 370.335 2.650 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000416973995 514080549 /nfs/dbraw/zinc/08/05/49/514080549.db2.gz KLAIUNDJEUPGGG-SQNIBIBYSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000416973995 514080554 /nfs/dbraw/zinc/08/05/54/514080554.db2.gz KLAIUNDJEUPGGG-SQNIBIBYSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(OCCN(C)C)cc1 ZINC000423231760 514087369 /nfs/dbraw/zinc/08/73/69/514087369.db2.gz LQZGWHRZLAQHIN-KRWDZBQOSA-N 1 3 369.513 2.605 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000420315550 514088709 /nfs/dbraw/zinc/08/87/09/514088709.db2.gz RXQOSGTZCXOEOY-KBXCAEBGSA-N 1 3 351.441 2.517 20 0 FFADHO CCCCN(C)C(=O)C1CC[NH+](C[C@@H](CN)c2ccc(OC)cc2)CC1 ZINC000420317106 514091212 /nfs/dbraw/zinc/09/12/12/514091212.db2.gz NDKMMORQTTUMMV-LJQANCHMSA-N 1 3 361.530 2.708 20 0 FFADHO COC(=O)c1cccc(OCCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000420316955 514091346 /nfs/dbraw/zinc/09/13/46/514091346.db2.gz OBOPLNSJZCACAU-QUCCMNQESA-N 1 3 354.450 2.526 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)NC[C@H]([NH3+])C1CC1 ZINC000423325665 514109596 /nfs/dbraw/zinc/10/95/96/514109596.db2.gz QMLCHIAXKJXAAJ-ABAIWWIYSA-N 1 3 358.267 2.939 20 0 FFADHO Cc1ccc(F)c(N2CCC[C@H](N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2=O)c1 ZINC000420334852 514100126 /nfs/dbraw/zinc/10/01/26/514100126.db2.gz ULVDKOCMCZZLDR-SCTDSRPQSA-N 1 3 359.489 2.951 20 0 FFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345384 514104098 /nfs/dbraw/zinc/10/40/98/514104098.db2.gz WASBTTRKDYREHU-SOLBZPMBSA-N 1 3 361.555 2.905 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@@H]1C ZINC000444035352 514105793 /nfs/dbraw/zinc/10/57/93/514105793.db2.gz VQHVECODQJXWFB-WMZOPIPTSA-N 1 3 362.518 2.964 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@@H]1C ZINC000444035352 514105795 /nfs/dbraw/zinc/10/57/95/514105795.db2.gz VQHVECODQJXWFB-WMZOPIPTSA-N 1 3 362.518 2.964 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](CCCOc3cccc4ccccc43)C2)nn1 ZINC000420370758 514113478 /nfs/dbraw/zinc/11/34/78/514113478.db2.gz CVENTGXXLOOCSD-LJQANCHMSA-N 1 3 365.481 2.996 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)nn1 ZINC000420370758 514113484 /nfs/dbraw/zinc/11/34/84/514113484.db2.gz CVENTGXXLOOCSD-LJQANCHMSA-N 1 3 365.481 2.996 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccsc1 ZINC000417010716 514114691 /nfs/dbraw/zinc/11/46/91/514114691.db2.gz PZSLSUNRJVDVHD-YOEHRIQHSA-N 1 3 352.548 2.900 20 0 FFADHO CCOC(=O)c1csc(C2CCN(CCC3CC[NH2+]CC3)CC2)n1 ZINC000420377158 514115746 /nfs/dbraw/zinc/11/57/46/514115746.db2.gz RTXNSQPUWPGJBU-UHFFFAOYSA-N 1 3 351.516 2.889 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccsc1 ZINC000417012004 514116486 /nfs/dbraw/zinc/11/64/86/514116486.db2.gz UVIWJQBSTBZCGN-USXIJHARSA-N 1 3 350.532 2.524 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccsc1 ZINC000417012002 514117047 /nfs/dbraw/zinc/11/70/47/514117047.db2.gz UVIWJQBSTBZCGN-DJIMGWMZSA-N 1 3 350.532 2.524 20 0 FFADHO COCC1CCC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000449222892 514120704 /nfs/dbraw/zinc/12/07/04/514120704.db2.gz IWUYKKQWTDWNCT-UHFFFAOYSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420387362 514123035 /nfs/dbraw/zinc/12/30/35/514123035.db2.gz VTNDLGLRSAFRIM-SWLSCSKDSA-N 1 3 351.401 2.736 20 0 FFADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420387362 514123038 /nfs/dbraw/zinc/12/30/38/514123038.db2.gz VTNDLGLRSAFRIM-SWLSCSKDSA-N 1 3 351.401 2.736 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000417019358 514123402 /nfs/dbraw/zinc/12/34/02/514123402.db2.gz IOHQSCJJCPTSKE-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO COCC1(CN[C@@H](C)c2ncc(Br)cc2F)CC[NH2+]CC1 ZINC000423403018 514129528 /nfs/dbraw/zinc/12/95/28/514129528.db2.gz HLVFXZRXAZTGFO-NSHDSACASA-N 1 3 360.271 2.650 20 0 FFADHO [NH3+]CC1(O)CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000420399065 514132103 /nfs/dbraw/zinc/13/21/03/514132103.db2.gz BEZHXHFMZISMOH-UHFFFAOYSA-N 1 3 369.465 2.593 20 0 FFADHO C[NH+]1CCC(CNCc2ccc(Cl)cc2Cl)(N2CCOCC2)CC1 ZINC000414482057 514143427 /nfs/dbraw/zinc/14/34/27/514143427.db2.gz LNVFFEGKMNYQGK-UHFFFAOYSA-N 1 3 372.340 2.880 20 0 FFADHO CC(C)Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414491855 514147149 /nfs/dbraw/zinc/14/71/49/514147149.db2.gz ZIXFIQJBNMWNMX-UHFFFAOYSA-N 1 3 359.558 2.771 20 0 FFADHO C[N@@H+]1CCN(CCNCc2cccc(Br)c2F)CC1(C)C ZINC000449304695 514153963 /nfs/dbraw/zinc/15/39/63/514153963.db2.gz PJWIUNKXAHTAMH-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO Cc1ccncc1CCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414529232 514165638 /nfs/dbraw/zinc/16/56/38/514165638.db2.gz VDVFVEPZFYVGCI-UHFFFAOYSA-N 1 3 353.510 2.939 20 0 FFADHO CCc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cn1 ZINC000414552782 514175393 /nfs/dbraw/zinc/17/53/93/514175393.db2.gz HKNDBYHMZFOIAP-UHFFFAOYSA-N 1 3 366.509 2.631 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417123325 514178937 /nfs/dbraw/zinc/17/89/37/514178937.db2.gz YRTMWTUYLUMBLH-RTWAWAEBSA-N 1 3 370.541 2.825 20 0 FFADHO COC[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](COC)CC3)COC2)CC1 ZINC000452109758 514196881 /nfs/dbraw/zinc/19/68/81/514196881.db2.gz XFAZYNCOXXSKHF-PMACEKPBSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](COC)CC3)COC2)CC1 ZINC000452109758 514196888 /nfs/dbraw/zinc/19/68/88/514196888.db2.gz XFAZYNCOXXSKHF-PMACEKPBSA-N 1 3 368.562 2.500 20 0 FFADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)NCCN(C)C ZINC000437787541 514236109 /nfs/dbraw/zinc/23/61/09/514236109.db2.gz QSUVHUDPGKELBF-KFWWJZLASA-N 1 3 351.457 2.790 20 0 FFADHO CC1CCN([C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000417218326 514239208 /nfs/dbraw/zinc/23/92/08/514239208.db2.gz SQTLULANVFOSKL-NHCUHLMSSA-N 1 3 370.541 2.996 20 0 FFADHO CN(CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000417230487 514247034 /nfs/dbraw/zinc/24/70/34/514247034.db2.gz KRXCHVFRQWKNKJ-LJQANCHMSA-N 1 3 358.530 2.538 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000414702346 514248605 /nfs/dbraw/zinc/24/86/05/514248605.db2.gz AYNGIBQEKBZUGN-GDBMZVCRSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000414702346 514248615 /nfs/dbraw/zinc/24/86/15/514248615.db2.gz AYNGIBQEKBZUGN-GDBMZVCRSA-N 1 3 369.431 2.692 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414731154 514261862 /nfs/dbraw/zinc/26/18/62/514261862.db2.gz AERVVMRRUUOORO-LSDHHAIUSA-N 1 3 351.457 2.873 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414731154 514261868 /nfs/dbraw/zinc/26/18/68/514261868.db2.gz AERVVMRRUUOORO-LSDHHAIUSA-N 1 3 351.457 2.873 20 0 FFADHO C[C@H]1C[C@H](CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000414734869 514262857 /nfs/dbraw/zinc/26/28/57/514262857.db2.gz LHDCILDJVUMADS-LSDHHAIUSA-N 1 3 369.431 2.851 20 0 FFADHO CCO[C@H](C)c1nc(CN2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)cs1 ZINC000414741932 514267670 /nfs/dbraw/zinc/26/76/70/514267670.db2.gz LIBMFKHPRKVDKK-ZACQAIPSSA-N 1 3 366.575 2.746 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c(C)c2)CC1 ZINC000414749518 514273123 /nfs/dbraw/zinc/27/31/23/514273123.db2.gz KGSQNXSQKNNAOS-SFHVURJKSA-N 1 3 361.534 2.632 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000414757678 514277087 /nfs/dbraw/zinc/27/70/87/514277087.db2.gz BCZLIYDDFUVMBE-HNNXBMFYSA-N 1 3 367.896 2.798 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417294925 514280516 /nfs/dbraw/zinc/28/05/16/514280516.db2.gz JDYPAVSCUQNMJZ-HOTGVXAUSA-N 1 3 372.435 2.749 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)N2CCCC2)cc1 ZINC000417352231 514306042 /nfs/dbraw/zinc/30/60/42/514306042.db2.gz FOJQGMMENCKEFL-UFYCRDLUSA-N 1 3 356.514 2.525 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000417356196 514309831 /nfs/dbraw/zinc/30/98/31/514309831.db2.gz BWURFFJTUHHOGL-IAGOWNOFSA-N 1 3 364.559 2.744 20 0 FFADHO CCC[C@]1(CO)CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000444766629 514322883 /nfs/dbraw/zinc/32/28/83/514322883.db2.gz MSGHTUMIHSADGA-JOCHJYFZSA-N 1 3 373.541 2.526 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000427904489 514343943 /nfs/dbraw/zinc/34/39/43/514343943.db2.gz LBSDFPRULDYHAC-PCCBWWKXSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000427904489 514343950 /nfs/dbraw/zinc/34/39/50/514343950.db2.gz LBSDFPRULDYHAC-PCCBWWKXSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414932226 514360934 /nfs/dbraw/zinc/36/09/34/514360934.db2.gz CMNJKFKBOHTBHL-JMSVASOKSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414932226 514360938 /nfs/dbraw/zinc/36/09/38/514360938.db2.gz CMNJKFKBOHTBHL-JMSVASOKSA-N 1 3 354.292 2.754 20 0 FFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CCCN1 ZINC000414960002 514376426 /nfs/dbraw/zinc/37/64/26/514376426.db2.gz SUMXWMYHJIEXFQ-LRDDRELGSA-N 1 3 359.283 2.877 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414961695 514378378 /nfs/dbraw/zinc/37/83/78/514378378.db2.gz BUUWKTGDTVFLEC-QGZVFWFLSA-N 1 3 356.470 2.671 20 0 FFADHO c1cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942871 514392971 /nfs/dbraw/zinc/39/29/71/514392971.db2.gz VVRWSNXEMHTUMZ-GGAORHGYSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942871 514392975 /nfs/dbraw/zinc/39/29/75/514392975.db2.gz VVRWSNXEMHTUMZ-GGAORHGYSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942871 514392978 /nfs/dbraw/zinc/39/29/78/514392978.db2.gz VVRWSNXEMHTUMZ-GGAORHGYSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942871 514392982 /nfs/dbraw/zinc/39/29/82/514392982.db2.gz VVRWSNXEMHTUMZ-GGAORHGYSA-N 1 3 369.553 2.968 20 0 FFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)C[C@H]2C1 ZINC000424273807 514443617 /nfs/dbraw/zinc/44/36/17/514443617.db2.gz XOKIEJLKMLUXNX-COPRSSIGSA-N 1 3 357.542 2.727 20 0 FFADHO Cc1cc(C)c(CCNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424283197 514445234 /nfs/dbraw/zinc/44/52/34/514445234.db2.gz BBERMPBPQJRHBZ-IBGZPJMESA-N 1 3 357.542 2.735 20 0 FFADHO CC1CC[NH+](CCC[C@@H](NC[C@H](O)CN(C)C)c2ccc(F)cc2)CC1 ZINC000438840529 514451511 /nfs/dbraw/zinc/45/15/11/514451511.db2.gz XTRYXFPEVVORDZ-LEWJYISDSA-N 1 3 365.537 2.891 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415130091 514456861 /nfs/dbraw/zinc/45/68/61/514456861.db2.gz QHQLBMSCYBFKJQ-MRXNPFEDSA-N 1 3 353.392 2.901 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415130091 514456862 /nfs/dbraw/zinc/45/68/62/514456862.db2.gz QHQLBMSCYBFKJQ-MRXNPFEDSA-N 1 3 353.392 2.901 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000433569602 514517446 /nfs/dbraw/zinc/51/74/46/514517446.db2.gz RWBITRPZSNQMDD-FPOVZHCZSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000433569602 514517455 /nfs/dbraw/zinc/51/74/55/514517455.db2.gz RWBITRPZSNQMDD-FPOVZHCZSA-N 1 3 370.541 2.967 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cc(C)cc(C)c1 ZINC000465983613 514533813 /nfs/dbraw/zinc/53/38/13/514533813.db2.gz OPAXJQXVXSURFW-OAQYLSRUSA-N 1 3 374.573 2.903 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cc(C)cc(C)c1 ZINC000465983613 514533822 /nfs/dbraw/zinc/53/38/22/514533822.db2.gz OPAXJQXVXSURFW-OAQYLSRUSA-N 1 3 374.573 2.903 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000439356565 514537397 /nfs/dbraw/zinc/53/73/97/514537397.db2.gz VDKKWQOKYLAJAH-CABCVRRESA-N 1 3 366.472 2.775 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453137033 514554025 /nfs/dbraw/zinc/55/40/25/514554025.db2.gz CECQJHOXLHTULB-BURNTYAHSA-N 1 3 370.541 2.823 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453137033 514554029 /nfs/dbraw/zinc/55/40/29/514554029.db2.gz CECQJHOXLHTULB-BURNTYAHSA-N 1 3 370.541 2.823 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000466086886 514555702 /nfs/dbraw/zinc/55/57/02/514555702.db2.gz WMKCUCJQWGXIAG-WMZOPIPTSA-N 1 3 364.559 2.868 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CN1Cc1ccccc1 ZINC000466152458 514567521 /nfs/dbraw/zinc/56/75/21/514567521.db2.gz DWEZKNYIAPNRNQ-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475142275 514570747 /nfs/dbraw/zinc/57/07/47/514570747.db2.gz BHKPLWRYHRSNHF-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475142504 514571360 /nfs/dbraw/zinc/57/13/60/514571360.db2.gz ZBEHKRONBFHPPB-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475142504 514571364 /nfs/dbraw/zinc/57/13/64/514571364.db2.gz ZBEHKRONBFHPPB-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453258612 514581144 /nfs/dbraw/zinc/58/11/44/514581144.db2.gz HYUSDUTWGKOWLX-ACESQOTJSA-N 1 3 371.569 2.866 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000466227972 514583702 /nfs/dbraw/zinc/58/37/02/514583702.db2.gz UDXMPOFSHGFVMK-OXJNMPFZSA-N 1 3 356.514 2.564 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427047 514611797 /nfs/dbraw/zinc/61/17/97/514611797.db2.gz GDPGBJBKBKEQLD-ZVDOUQERSA-N 1 3 353.510 2.594 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427047 514611806 /nfs/dbraw/zinc/61/18/06/514611806.db2.gz GDPGBJBKBKEQLD-ZVDOUQERSA-N 1 3 353.510 2.594 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461427045 514612983 /nfs/dbraw/zinc/61/29/83/514612983.db2.gz GDPGBJBKBKEQLD-ZJOUEHCJSA-N 1 3 353.510 2.594 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461427045 514612988 /nfs/dbraw/zinc/61/29/88/514612988.db2.gz GDPGBJBKBKEQLD-ZJOUEHCJSA-N 1 3 353.510 2.594 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466432454 514645563 /nfs/dbraw/zinc/64/55/63/514645563.db2.gz XGXCUGPNVYMTAV-JXFKEZNVSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000508062460 514651160 /nfs/dbraw/zinc/65/11/60/514651160.db2.gz ZLSYAJYSSIMELD-LJQANCHMSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000488968675 514655392 /nfs/dbraw/zinc/65/53/92/514655392.db2.gz ASEGZKZQDSVBLP-JLAWEPINSA-N 1 3 367.578 2.845 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000488968675 514655404 /nfs/dbraw/zinc/65/54/04/514655404.db2.gz ASEGZKZQDSVBLP-JLAWEPINSA-N 1 3 367.578 2.845 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470881831 514656373 /nfs/dbraw/zinc/65/63/73/514656373.db2.gz BSRQUGWOLQUHMW-AZUAARDMSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470881831 514656386 /nfs/dbraw/zinc/65/63/86/514656386.db2.gz BSRQUGWOLQUHMW-AZUAARDMSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000466517855 514671477 /nfs/dbraw/zinc/67/14/77/514671477.db2.gz KRHFVXQNAKOWMH-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000484568695 514693645 /nfs/dbraw/zinc/69/36/45/514693645.db2.gz OTITWOPBMARSQM-GJYPPUQNSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000484568695 514693654 /nfs/dbraw/zinc/69/36/54/514693654.db2.gz OTITWOPBMARSQM-GJYPPUQNSA-N 1 3 364.509 2.848 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489133440 514723571 /nfs/dbraw/zinc/72/35/71/514723571.db2.gz NFIBSZPVNPCBFM-FCGDIQPGSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489133440 514723584 /nfs/dbraw/zinc/72/35/84/514723584.db2.gz NFIBSZPVNPCBFM-FCGDIQPGSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489162041 514734245 /nfs/dbraw/zinc/73/42/45/514734245.db2.gz WRGHFOKNEHLONB-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489162041 514734255 /nfs/dbraw/zinc/73/42/55/514734255.db2.gz WRGHFOKNEHLONB-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489162039 514734670 /nfs/dbraw/zinc/73/46/70/514734670.db2.gz WRGHFOKNEHLONB-AZUAARDMSA-N 1 3 360.546 2.927 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489162039 514734683 /nfs/dbraw/zinc/73/46/83/514734683.db2.gz WRGHFOKNEHLONB-AZUAARDMSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N(C)Cc1ccccc1 ZINC000458364994 514735719 /nfs/dbraw/zinc/73/57/19/514735719.db2.gz BIKQIFGYFOACEP-RXVVDRJESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N(C)Cc1ccccc1 ZINC000458364994 514735730 /nfs/dbraw/zinc/73/57/30/514735730.db2.gz BIKQIFGYFOACEP-RXVVDRJESA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000458392263 514759449 /nfs/dbraw/zinc/75/94/49/514759449.db2.gz AXABULFUBRBEGK-PMACEKPBSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000458392263 514759454 /nfs/dbraw/zinc/75/94/54/514759454.db2.gz AXABULFUBRBEGK-PMACEKPBSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000489301911 514790113 /nfs/dbraw/zinc/79/01/13/514790113.db2.gz XZFOTJZNHSHFBS-PMACEKPBSA-N 1 3 372.557 2.995 20 0 FFADHO CCCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000498199795 514799695 /nfs/dbraw/zinc/79/96/95/514799695.db2.gz DUTHOQKVJWTXIT-IRXDYDNUSA-N 1 3 353.457 2.872 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000502921983 514843464 /nfs/dbraw/zinc/84/34/64/514843464.db2.gz XOYRPCFZIWRKLX-GOSISDBHSA-N 1 3 358.530 2.695 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000502948919 514853047 /nfs/dbraw/zinc/85/30/47/514853047.db2.gz FJMPMENCOQUEDU-PXNSSMCTSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000502948919 514853056 /nfs/dbraw/zinc/85/30/56/514853056.db2.gz FJMPMENCOQUEDU-PXNSSMCTSA-N 1 3 358.530 2.559 20 0 FFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503031723 514887588 /nfs/dbraw/zinc/88/75/88/514887588.db2.gz DBIVWLZXQRLCKU-VSKRKVRLSA-N 1 3 365.521 2.669 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467093647 514897004 /nfs/dbraw/zinc/89/70/04/514897004.db2.gz HIHGCFZEUXREHB-UXHICEINSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000458576501 514917871 /nfs/dbraw/zinc/91/78/71/514917871.db2.gz DMPHVBVFJNCXHV-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000458576501 514917881 /nfs/dbraw/zinc/91/78/81/514917881.db2.gz DMPHVBVFJNCXHV-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[NH+](C)CCOCCNCc1cccc(Br)c1OC(F)F ZINC000471556168 514929188 /nfs/dbraw/zinc/92/91/88/514929188.db2.gz ANLCWRYLEGVSJQ-UHFFFAOYSA-N 1 3 367.234 2.718 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489831651 514991663 /nfs/dbraw/zinc/99/16/63/514991663.db2.gz NYYCQNNFWUCRJO-DYXWJJEUSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489831651 514991669 /nfs/dbraw/zinc/99/16/69/514991669.db2.gz NYYCQNNFWUCRJO-DYXWJJEUSA-N 1 3 372.557 2.928 20 0 FFADHO CCN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@H](C)C1 ZINC000467410131 514998123 /nfs/dbraw/zinc/99/81/23/514998123.db2.gz DPYHJHGKKGPUSN-CRAIPNDOSA-N 1 3 351.922 2.997 20 0 FFADHO NC(=O)c1ccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471840347 515027555 /nfs/dbraw/zinc/02/75/55/515027555.db2.gz RWWONLOPBKLFEY-LEWJYISDSA-N 1 3 351.494 2.958 20 0 FFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000471840347 515027568 /nfs/dbraw/zinc/02/75/68/515027568.db2.gz RWWONLOPBKLFEY-LEWJYISDSA-N 1 3 351.494 2.958 20 0 FFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000471840347 515027577 /nfs/dbraw/zinc/02/75/77/515027577.db2.gz RWWONLOPBKLFEY-LEWJYISDSA-N 1 3 351.494 2.958 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000458732888 515052808 /nfs/dbraw/zinc/05/28/08/515052808.db2.gz HGWAXSIIASNVKJ-QUCCMNQESA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000458732888 515052814 /nfs/dbraw/zinc/05/28/14/515052814.db2.gz HGWAXSIIASNVKJ-QUCCMNQESA-N 1 3 370.541 2.634 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[NH+]1CCCC1 ZINC000476493011 515069512 /nfs/dbraw/zinc/06/95/12/515069512.db2.gz RNBXOFKVXCMIPH-MOPGFXCFSA-N 1 3 350.551 2.765 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[NH+]1CCCC1 ZINC000476493013 515070505 /nfs/dbraw/zinc/07/05/05/515070505.db2.gz RNBXOFKVXCMIPH-RBUKOAKNSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@]1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCC[NH2+]1 ZINC000467707149 515085963 /nfs/dbraw/zinc/08/59/63/515085963.db2.gz NWSVTRQVLKTAJO-OAQYLSRUSA-N 1 3 356.514 2.689 20 0 FFADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000472056605 515103316 /nfs/dbraw/zinc/10/33/16/515103316.db2.gz XILSSHIVTJRLMO-UHFFFAOYSA-N 1 3 358.939 2.513 20 0 FFADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485636827 515120672 /nfs/dbraw/zinc/12/06/72/515120672.db2.gz QQXUJPPHLFWCLS-FQEVSTJZSA-N 1 3 372.557 2.819 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@]3(C)CCCN3Cc3ccccc3)C2)C1 ZINC000490238015 515152061 /nfs/dbraw/zinc/15/20/61/515152061.db2.gz GQIHYYTYWPCXCF-FCHUYYIVSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@]3(C)CCCN3Cc3ccccc3)C2)C1 ZINC000490238015 515152067 /nfs/dbraw/zinc/15/20/67/515152067.db2.gz GQIHYYTYWPCXCF-FCHUYYIVSA-N 1 3 370.541 2.778 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000476844317 515215683 /nfs/dbraw/zinc/21/56/83/515215683.db2.gz OHJAWBFFIROHHU-LJQANCHMSA-N 1 3 364.509 2.850 20 0 FFADHO CN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCN(C2CC2)C1 ZINC000458969289 515236422 /nfs/dbraw/zinc/23/64/22/515236422.db2.gz IETGERVIDOKPBO-FQEVSTJZSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCN(C2CC2)C1 ZINC000458969289 515236428 /nfs/dbraw/zinc/23/64/28/515236428.db2.gz IETGERVIDOKPBO-FQEVSTJZSA-N 1 3 370.541 2.919 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccco1 ZINC000509569682 515236785 /nfs/dbraw/zinc/23/67/85/515236785.db2.gz NSJUKAULMLCLGV-CVEARBPZSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000499318889 515282872 /nfs/dbraw/zinc/28/28/72/515282872.db2.gz FJUAHJOXTXTGQX-PBHICJAKSA-N 1 3 352.498 2.704 20 0 FFADHO CCCCOc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1OCC ZINC000504393271 515294043 /nfs/dbraw/zinc/29/40/43/515294043.db2.gz DMOGUIVCKSOLOI-IBGZPJMESA-N 1 3 361.530 2.744 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000463013392 515334461 /nfs/dbraw/zinc/33/44/61/515334461.db2.gz RQGDFQMKXNDZMU-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000463013392 515334463 /nfs/dbraw/zinc/33/44/63/515334463.db2.gz RQGDFQMKXNDZMU-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000463140424 515378212 /nfs/dbraw/zinc/37/82/12/515378212.db2.gz HFGAUHQNVQIPQT-JOCHJYFZSA-N 1 3 359.558 2.640 20 0 FFADHO CC(C)CN1CCO[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463140424 515378224 /nfs/dbraw/zinc/37/82/24/515378224.db2.gz HFGAUHQNVQIPQT-JOCHJYFZSA-N 1 3 359.558 2.640 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000463264713 515423132 /nfs/dbraw/zinc/42/31/32/515423132.db2.gz GSMXBSZFBDWBDF-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459269787 515435977 /nfs/dbraw/zinc/43/59/77/515435977.db2.gz UOZSAHFTAAIJJW-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459269787 515435990 /nfs/dbraw/zinc/43/59/90/515435990.db2.gz UOZSAHFTAAIJJW-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C)[C@@]1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCSC1 ZINC000481807503 515472404 /nfs/dbraw/zinc/47/24/04/515472404.db2.gz MBLHYWPABXGAAH-LJQANCHMSA-N 1 3 368.591 2.520 20 0 FFADHO c1cc(N2CCC([NH2+]Cc3ccc(CN4CCOCC4)cc3)CC2)ccn1 ZINC000459368856 515504228 /nfs/dbraw/zinc/50/42/28/515504228.db2.gz DJNQOHLQHWNADI-UHFFFAOYSA-N 1 3 366.509 2.672 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000454463128 515509024 /nfs/dbraw/zinc/50/90/24/515509024.db2.gz USRKPIWSKQZZSL-RTBURBONSA-N 1 3 362.562 2.765 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)Cc1ccccc1 ZINC000510554907 515586014 /nfs/dbraw/zinc/58/60/14/515586014.db2.gz ULQVBXUEDDWHSF-RXVVDRJESA-N 1 3 372.557 2.889 20 0 FFADHO O=C1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1c1ccccc1F ZINC000459556921 515647389 /nfs/dbraw/zinc/64/73/89/515647389.db2.gz KQOYRPGTNVGUSV-MRXNPFEDSA-N 1 3 354.429 2.585 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000505744624 515655430 /nfs/dbraw/zinc/65/54/30/515655430.db2.gz RVVQJKKLNYPXST-HXUWFJFHSA-N 1 3 373.541 2.964 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000505744624 515655441 /nfs/dbraw/zinc/65/54/41/515655441.db2.gz RVVQJKKLNYPXST-HXUWFJFHSA-N 1 3 373.541 2.964 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc2ccccc21 ZINC000505755310 515658193 /nfs/dbraw/zinc/65/81/93/515658193.db2.gz RCQGAVOZQYADSM-IBGZPJMESA-N 1 3 356.514 2.516 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc2ccccc21 ZINC000505755310 515658197 /nfs/dbraw/zinc/65/81/97/515658197.db2.gz RCQGAVOZQYADSM-IBGZPJMESA-N 1 3 356.514 2.516 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000493924815 515687844 /nfs/dbraw/zinc/68/78/44/515687844.db2.gz GRIRFFOGGOAUIA-QFBILLFUSA-N 1 3 364.509 2.848 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000493924815 515687852 /nfs/dbraw/zinc/68/78/52/515687852.db2.gz GRIRFFOGGOAUIA-QFBILLFUSA-N 1 3 364.509 2.848 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)no1 ZINC000505836259 515690784 /nfs/dbraw/zinc/69/07/84/515690784.db2.gz COFIDGGKFKAYIP-SFHVURJKSA-N 1 3 370.497 2.830 20 0 FFADHO CCN(CCNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000487024738 515725593 /nfs/dbraw/zinc/72/55/93/515725593.db2.gz AFRLRJXKMVTYEH-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(CCNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000487024738 515725605 /nfs/dbraw/zinc/72/56/05/515725605.db2.gz AFRLRJXKMVTYEH-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506017642 515752240 /nfs/dbraw/zinc/75/22/40/515752240.db2.gz SXGFPHWFMSHCKE-ZWKOTPCHSA-N 1 3 365.468 2.744 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506017642 515752250 /nfs/dbraw/zinc/75/22/50/515752250.db2.gz SXGFPHWFMSHCKE-ZWKOTPCHSA-N 1 3 365.468 2.744 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000500528794 515755213 /nfs/dbraw/zinc/75/52/13/515755213.db2.gz OMOOWXCZEFGGME-VBSBHUPXSA-N 1 3 356.514 2.700 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)C ZINC000482680847 515768199 /nfs/dbraw/zinc/76/81/99/515768199.db2.gz ZWYICEUVJNBBOW-GNBUJSLZSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)C ZINC000482680847 515768209 /nfs/dbraw/zinc/76/82/09/515768209.db2.gz ZWYICEUVJNBBOW-GNBUJSLZSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)C ZINC000482702984 515776871 /nfs/dbraw/zinc/77/68/71/515776871.db2.gz BJSSGLPFARQJGW-HLIPFELVSA-N 1 3 358.530 2.770 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N(C)C ZINC000482702984 515776881 /nfs/dbraw/zinc/77/68/81/515776881.db2.gz BJSSGLPFARQJGW-HLIPFELVSA-N 1 3 358.530 2.770 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000457370228 515831972 /nfs/dbraw/zinc/83/19/72/515831972.db2.gz DJZDKJCNKIFAKP-WOJBJXKFSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000457370228 515831985 /nfs/dbraw/zinc/83/19/85/515831985.db2.gz DJZDKJCNKIFAKP-WOJBJXKFSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000482885483 515836571 /nfs/dbraw/zinc/83/65/71/515836571.db2.gz DONJWBVNDGSNPM-QUCCMNQESA-N 1 3 360.546 2.723 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000457379648 515838039 /nfs/dbraw/zinc/83/80/39/515838039.db2.gz UEBUNBZNMZDFER-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000457379648 515838052 /nfs/dbraw/zinc/83/80/52/515838052.db2.gz UEBUNBZNMZDFER-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1=CCN(C)CC1 ZINC000511251347 515841219 /nfs/dbraw/zinc/84/12/19/515841219.db2.gz ITKQLTSDLXKLSZ-SFHVURJKSA-N 1 3 362.562 2.934 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000511251531 515841782 /nfs/dbraw/zinc/84/17/82/515841782.db2.gz QMQAXDZTULRPOR-QGZVFWFLSA-N 1 3 350.551 2.790 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000511251531 515841789 /nfs/dbraw/zinc/84/17/89/515841789.db2.gz QMQAXDZTULRPOR-QGZVFWFLSA-N 1 3 350.551 2.790 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000500779655 515855863 /nfs/dbraw/zinc/85/58/63/515855863.db2.gz MNQILYMTMPDHJI-UHFFFAOYSA-N 1 3 366.509 2.881 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000500832088 515875122 /nfs/dbraw/zinc/87/51/22/515875122.db2.gz LBQJJLHKCPRRBG-QUCCMNQESA-N 1 3 371.529 2.566 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000500832088 515875127 /nfs/dbraw/zinc/87/51/27/515875127.db2.gz LBQJJLHKCPRRBG-QUCCMNQESA-N 1 3 371.529 2.566 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000483050396 515903574 /nfs/dbraw/zinc/90/35/74/515903574.db2.gz XEVITRBWWOOHQS-LPHOPBHVSA-N 1 3 360.502 2.575 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000483050396 515903585 /nfs/dbraw/zinc/90/35/85/515903585.db2.gz XEVITRBWWOOHQS-LPHOPBHVSA-N 1 3 360.502 2.575 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000511568030 515946685 /nfs/dbraw/zinc/94/66/85/515946685.db2.gz XFHJPJIZLBLXAF-AZUAARDMSA-N 1 3 370.541 2.823 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000511568030 515946697 /nfs/dbraw/zinc/94/66/97/515946697.db2.gz XFHJPJIZLBLXAF-AZUAARDMSA-N 1 3 370.541 2.823 20 0 FFADHO Cc1cccc(OC[C@H](O)C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501053917 515954336 /nfs/dbraw/zinc/95/43/36/515954336.db2.gz OYSFVSWSZMPWRA-OAQYLSRUSA-N 1 3 369.509 2.978 20 0 FFADHO Cc1cccc(OC[C@H](O)C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501053917 515954344 /nfs/dbraw/zinc/95/43/44/515954344.db2.gz OYSFVSWSZMPWRA-OAQYLSRUSA-N 1 3 369.509 2.978 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C1 ZINC000487815214 515989414 /nfs/dbraw/zinc/98/94/14/515989414.db2.gz BUROFZLHDZRYHA-PXTPFGJHSA-N 1 3 364.578 2.726 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C1 ZINC000487815214 515989423 /nfs/dbraw/zinc/98/94/23/515989423.db2.gz BUROFZLHDZRYHA-PXTPFGJHSA-N 1 3 364.578 2.726 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000494899437 516002904 /nfs/dbraw/zinc/00/29/04/516002904.db2.gz BAEUQVFOYSDBKO-JRGCBEDISA-N 1 3 355.526 2.540 20 0 FFADHO [NH3+]CCCOC1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000469864183 516004468 /nfs/dbraw/zinc/00/44/68/516004468.db2.gz UOYUDRDRQCQESE-UHFFFAOYSA-N 1 3 355.482 2.990 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000469999942 516071094 /nfs/dbraw/zinc/07/10/94/516071094.db2.gz ORWCRIMLBFTFJB-SFHVURJKSA-N 1 3 353.466 2.766 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3F)s2)C1 ZINC000470001986 516074586 /nfs/dbraw/zinc/07/45/86/516074586.db2.gz CKWTXONBLMIIFY-CQSZACIVSA-N 1 3 361.486 2.841 20 0 FFADHO Cn1ccnc1COc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000470017351 516082409 /nfs/dbraw/zinc/08/24/09/516082409.db2.gz JXKUSXHEGKNNRL-FQEVSTJZSA-N 1 3 354.498 2.963 20 0 FFADHO CCO[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1=CCCC1 ZINC000465179574 516087791 /nfs/dbraw/zinc/08/77/91/516087791.db2.gz YYCBIFWREGIWCI-FQEVSTJZSA-N 1 3 363.546 2.567 20 0 FFADHO CCc1cc(OC)ccc1C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000501391240 516088139 /nfs/dbraw/zinc/08/81/39/516088139.db2.gz WLDPUDFCRAFBHM-UHFFFAOYSA-N 1 3 368.525 2.955 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)Cc1ccccc1 ZINC000479186657 516094859 /nfs/dbraw/zinc/09/48/59/516094859.db2.gz IWDLZVVJFBTXLR-LEWJYISDSA-N 1 3 371.500 2.937 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)Cc1ccccc1 ZINC000479186660 516095593 /nfs/dbraw/zinc/09/55/93/516095593.db2.gz IWDLZVVJFBTXLR-RTWAWAEBSA-N 1 3 371.500 2.937 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000457727454 516100522 /nfs/dbraw/zinc/10/05/22/516100522.db2.gz BLQGLWGYTBEEOR-UXHICEINSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000457727454 516100533 /nfs/dbraw/zinc/10/05/33/516100533.db2.gz BLQGLWGYTBEEOR-UXHICEINSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457727585 516102697 /nfs/dbraw/zinc/10/26/97/516102697.db2.gz GBDWIWCIPFXKLK-ICSRJNTNSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457727585 516102707 /nfs/dbraw/zinc/10/27/07/516102707.db2.gz GBDWIWCIPFXKLK-ICSRJNTNSA-N 1 3 350.551 2.768 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000457733006 516107407 /nfs/dbraw/zinc/10/74/07/516107407.db2.gz DZJVKCKMPSTVSE-FQEVSTJZSA-N 1 3 350.551 2.626 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479206740 516109829 /nfs/dbraw/zinc/10/98/29/516109829.db2.gz ICLHAXWVDFNUOV-RXVVDRJESA-N 1 3 369.484 2.849 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479206740 516109838 /nfs/dbraw/zinc/10/98/38/516109838.db2.gz ICLHAXWVDFNUOV-RXVVDRJESA-N 1 3 369.484 2.849 20 0 FFADHO NC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000479215429 516112068 /nfs/dbraw/zinc/11/20/68/516112068.db2.gz WLQZVUROVPFHRG-HXUWFJFHSA-N 1 3 355.457 2.780 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000474595440 516112246 /nfs/dbraw/zinc/11/22/46/516112246.db2.gz DPJDPWYSVFWMAZ-VWYCLODISA-N 1 3 354.535 2.977 20 0 FFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](C)C1 ZINC000488100724 516115843 /nfs/dbraw/zinc/11/58/43/516115843.db2.gz ZCOKKKFXPCENLI-FMWKFLBASA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](C)C1 ZINC000488100724 516115853 /nfs/dbraw/zinc/11/58/53/516115853.db2.gz ZCOKKKFXPCENLI-FMWKFLBASA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457756836 516125014 /nfs/dbraw/zinc/12/50/14/516125014.db2.gz ZCYQPISHJLULGG-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457756836 516125025 /nfs/dbraw/zinc/12/50/25/516125025.db2.gz ZCYQPISHJLULGG-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CCOc1cc2[nH+]ccc(NC[C@@H](C)N3CCN(C)CC3)c2cc1OCC ZINC000488143540 516131946 /nfs/dbraw/zinc/13/19/46/516131946.db2.gz DJJGBZGMWCHHSI-MRXNPFEDSA-N 1 3 372.513 2.502 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@@]2(CCN(C)C2)C1)[NH+]1CCCC1 ZINC000488156724 516136533 /nfs/dbraw/zinc/13/65/33/516136533.db2.gz BTXPMHOEKGCKGR-UYAOXDASSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000501533482 516141984 /nfs/dbraw/zinc/14/19/84/516141984.db2.gz QUVXCRLNICXXQW-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000501533482 516141992 /nfs/dbraw/zinc/14/19/92/516141992.db2.gz QUVXCRLNICXXQW-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCc1ccccc1 ZINC000465443960 516155775 /nfs/dbraw/zinc/15/57/75/516155775.db2.gz CJJBLRUDRVPYQC-FQEVSTJZSA-N 1 3 360.546 2.677 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCc1ccccc1 ZINC000465443960 516155784 /nfs/dbraw/zinc/15/57/84/516155784.db2.gz CJJBLRUDRVPYQC-FQEVSTJZSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000479355093 516163073 /nfs/dbraw/zinc/16/30/73/516163073.db2.gz VZOOWCOFYAHTMR-JTDSTZFVSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000479355093 516163082 /nfs/dbraw/zinc/16/30/82/516163082.db2.gz VZOOWCOFYAHTMR-JTDSTZFVSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474707225 516164617 /nfs/dbraw/zinc/16/46/17/516164617.db2.gz IPSNTAYLGRIYME-HRCADAONSA-N 1 3 374.554 2.965 20 0 FFADHO C[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474707225 516164628 /nfs/dbraw/zinc/16/46/28/516164628.db2.gz IPSNTAYLGRIYME-HRCADAONSA-N 1 3 374.554 2.965 20 0 FFADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000479361138 516164942 /nfs/dbraw/zinc/16/49/42/516164942.db2.gz PPNPGTOWBCKZLS-NRFANRHFSA-N 1 3 367.541 2.990 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000457817813 516169650 /nfs/dbraw/zinc/16/96/50/516169650.db2.gz TWJCIMDNKANLLL-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000457817813 516169660 /nfs/dbraw/zinc/16/96/60/516169660.db2.gz TWJCIMDNKANLLL-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000460527941 516181127 /nfs/dbraw/zinc/18/11/27/516181127.db2.gz OYAQSZJMEJYJPK-CWJKEVGVSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000460527941 516181135 /nfs/dbraw/zinc/18/11/35/516181135.db2.gz OYAQSZJMEJYJPK-CWJKEVGVSA-N 1 3 370.541 2.633 20 0 FFADHO CO[C@@H]1CCCC[C@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000483730085 516192663 /nfs/dbraw/zinc/19/26/63/516192663.db2.gz PPXVDIBRCPHROG-NHCUHLMSSA-N 1 3 373.541 2.623 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCCC[C@H]1C)CC2 ZINC000465553932 516194894 /nfs/dbraw/zinc/19/48/94/516194894.db2.gz XGNAYIMNQVHFPI-HCXYKTFWSA-N 1 3 350.551 2.906 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCCC[C@H]1C)CC2 ZINC000465553932 516194899 /nfs/dbraw/zinc/19/48/99/516194899.db2.gz XGNAYIMNQVHFPI-HCXYKTFWSA-N 1 3 350.551 2.906 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@@H]1C ZINC000483790201 516213191 /nfs/dbraw/zinc/21/31/91/516213191.db2.gz HZMZRFJXNRVLTN-FXAWDEMLSA-N 1 3 372.557 2.600 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@@H]1C ZINC000483790201 516213200 /nfs/dbraw/zinc/21/32/00/516213200.db2.gz HZMZRFJXNRVLTN-FXAWDEMLSA-N 1 3 372.557 2.600 20 0 FFADHO CC[C@@H]1CCCCN1C(=O)CN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000501784572 516224278 /nfs/dbraw/zinc/22/42/78/516224278.db2.gz HQWOLMIRPNJAPN-HXUWFJFHSA-N 1 3 367.578 2.848 20 0 FFADHO CC[C@@H]1CCCCN1C(=O)CN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000501784572 516224284 /nfs/dbraw/zinc/22/42/84/516224284.db2.gz HQWOLMIRPNJAPN-HXUWFJFHSA-N 1 3 367.578 2.848 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCC(C)CC1 ZINC000465814239 516265156 /nfs/dbraw/zinc/26/51/56/516265156.db2.gz MGAZFDFVJRKGCG-IEBWSBKVSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC(C)CC1 ZINC000465814239 516265161 /nfs/dbraw/zinc/26/51/61/516265161.db2.gz MGAZFDFVJRKGCG-IEBWSBKVSA-N 1 3 350.551 2.671 20 0 FFADHO CCC[NH+](CCC)CCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488597426 516270433 /nfs/dbraw/zinc/27/04/33/516270433.db2.gz OWDHZFKOJAJZFN-CEXWTWQISA-N 1 3 352.567 2.870 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000502091874 516302706 /nfs/dbraw/zinc/30/27/06/516302706.db2.gz MBPKURYDBMTJHY-YLJYHZDGSA-N 1 3 358.530 2.996 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H]1c1ccccc1 ZINC000535396034 516338379 /nfs/dbraw/zinc/33/83/79/516338379.db2.gz WDJYLOFNGVXCRC-HKBOAZHASA-N 1 3 370.541 2.805 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000554253318 516344867 /nfs/dbraw/zinc/34/48/67/516344867.db2.gz OKKNKUQQOFTZKU-FQEVSTJZSA-N 1 3 360.546 2.881 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000550644586 516366746 /nfs/dbraw/zinc/36/67/46/516366746.db2.gz VABZTAGVLOGPIB-FQEVSTJZSA-N 1 3 352.478 2.737 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cn(C)c2ccccc12 ZINC000523004944 516371012 /nfs/dbraw/zinc/37/10/12/516371012.db2.gz YQCMTPUDLYKIHK-LJQANCHMSA-N 1 3 370.541 2.595 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cn(C)c2ccccc12 ZINC000523004944 516371019 /nfs/dbraw/zinc/37/10/19/516371019.db2.gz YQCMTPUDLYKIHK-LJQANCHMSA-N 1 3 370.541 2.595 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000561110014 516383818 /nfs/dbraw/zinc/38/38/18/516383818.db2.gz WZUQZNNLNDSDRP-UHFFFAOYSA-N 1 3 353.510 2.995 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000561151127 516409896 /nfs/dbraw/zinc/40/98/96/516409896.db2.gz ARNSVSVNIBYOAU-ULQDDVLXSA-N 1 3 364.559 2.729 20 0 FFADHO O=C(CC(F)(F)F)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000540182747 516465934 /nfs/dbraw/zinc/46/59/34/516465934.db2.gz SKVCKXHOVZYDLK-UHFFFAOYSA-N 1 3 361.452 2.926 20 0 FFADHO CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000557848009 516467629 /nfs/dbraw/zinc/46/76/29/516467629.db2.gz ADJBYFPGZYJBKR-UHFFFAOYSA-N 1 3 367.559 2.635 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523474644 516478550 /nfs/dbraw/zinc/47/85/50/516478550.db2.gz JJVIUZBADQMWRZ-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000523474644 516478556 /nfs/dbraw/zinc/47/85/56/516478556.db2.gz JJVIUZBADQMWRZ-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000517899928 516486604 /nfs/dbraw/zinc/48/66/04/516486604.db2.gz BMEHSLGNKNJFQA-UWJYYQICSA-N 1 3 358.530 2.901 20 0 FFADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1cccc(F)c1 ZINC000517918292 516492608 /nfs/dbraw/zinc/49/26/08/516492608.db2.gz GANFGJXFNSQIFE-FBBABVLZSA-N 1 3 356.441 2.575 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000523533303 516498483 /nfs/dbraw/zinc/49/84/83/516498483.db2.gz WDQQGHRNLWSROM-NQIIRXRSSA-N 1 3 372.557 2.853 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000523533303 516498489 /nfs/dbraw/zinc/49/84/89/516498489.db2.gz WDQQGHRNLWSROM-NQIIRXRSSA-N 1 3 372.557 2.853 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000540322542 516510942 /nfs/dbraw/zinc/51/09/42/516510942.db2.gz KUISMHJXFZODMW-UHFFFAOYSA-N 1 3 360.477 2.939 20 0 FFADHO C[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)N(C)Cc1ccccc1 ZINC000523596386 516515111 /nfs/dbraw/zinc/51/51/11/516515111.db2.gz YGWWEOIVIVKMRD-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000531609871 516552153 /nfs/dbraw/zinc/55/21/53/516552153.db2.gz JGSUIGXDLZBZBB-FQEVSTJZSA-N 1 3 362.514 2.569 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1COc2ccccc2C1 ZINC000551163684 516587159 /nfs/dbraw/zinc/58/71/59/516587159.db2.gz GNVXLLDBLLGPGC-NHCUHLMSSA-N 1 3 352.478 2.737 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1COc2ccccc2C1 ZINC000551163684 516587166 /nfs/dbraw/zinc/58/71/66/516587166.db2.gz GNVXLLDBLLGPGC-NHCUHLMSSA-N 1 3 352.478 2.737 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC[N@@H+]1C ZINC000513443725 516624716 /nfs/dbraw/zinc/62/47/16/516624716.db2.gz OQXAEUSFSAPULK-KBAYOESNSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC[N@H+]1C ZINC000513443725 516624724 /nfs/dbraw/zinc/62/47/24/516624724.db2.gz OQXAEUSFSAPULK-KBAYOESNSA-N 1 3 365.468 2.743 20 0 FFADHO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528704451 516630584 /nfs/dbraw/zinc/63/05/84/516630584.db2.gz HYYIZINDHCRYFV-UHFFFAOYSA-N 1 3 360.502 2.898 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)[C@H]1c1ccccc1 ZINC000528709663 516634552 /nfs/dbraw/zinc/63/45/52/516634552.db2.gz FGAAHNROCBYDKJ-UYAOXDASSA-N 1 3 366.465 2.736 20 0 FFADHO C[C@H]1C[C@H](CCNCc2cnc(N(C)C)nc2)C[N@@H+]1Cc1ccccc1 ZINC000513487276 516647474 /nfs/dbraw/zinc/64/74/74/516647474.db2.gz AOWUZHGJQZSANY-HKUYNNGSSA-N 1 3 353.514 2.933 20 0 FFADHO C[C@H]1C[C@H](CCNCc2cnc(N(C)C)nc2)C[N@H+]1Cc1ccccc1 ZINC000513487276 516647483 /nfs/dbraw/zinc/64/74/83/516647483.db2.gz AOWUZHGJQZSANY-HKUYNNGSSA-N 1 3 353.514 2.933 20 0 FFADHO C[C@H]([NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000554862137 516669473 /nfs/dbraw/zinc/66/94/73/516669473.db2.gz CTOZIKIMHKXBAP-DJPFJPOOSA-N 1 3 362.514 2.579 20 0 FFADHO Cc1cc(N[C@@H](C)CN2CCN(c3ccccn3)CC2)c2ccccc2[nH+]1 ZINC000524231537 516674393 /nfs/dbraw/zinc/67/43/93/516674393.db2.gz OVELNELMOBBUGH-SFHVURJKSA-N 1 3 361.493 2.983 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524474113 516732065 /nfs/dbraw/zinc/73/20/65/516732065.db2.gz FOTGTCFFPRSYIN-HXUWFJFHSA-N 1 3 358.530 2.826 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000551566313 516762941 /nfs/dbraw/zinc/76/29/41/516762941.db2.gz JQMHMEJMPHRBDO-YMQHIKHWSA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000551566313 516762946 /nfs/dbraw/zinc/76/29/46/516762946.db2.gz JQMHMEJMPHRBDO-YMQHIKHWSA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000551566313 516762955 /nfs/dbraw/zinc/76/29/55/516762955.db2.gz JQMHMEJMPHRBDO-YMQHIKHWSA-N 1 3 360.542 2.645 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000518978219 516839913 /nfs/dbraw/zinc/83/99/13/516839913.db2.gz HUJQBFAXJIZMNZ-MRXNPFEDSA-N 1 3 354.454 2.627 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000544624114 516841699 /nfs/dbraw/zinc/84/16/99/516841699.db2.gz WVBKJTKUJCLSCT-LPHOPBHVSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000514202030 516901782 /nfs/dbraw/zinc/90/17/82/516901782.db2.gz QLPZBOBWFGFFDU-GGPKGHCWSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000514202030 516901788 /nfs/dbraw/zinc/90/17/88/516901788.db2.gz QLPZBOBWFGFFDU-GGPKGHCWSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000532315363 516905048 /nfs/dbraw/zinc/90/50/48/516905048.db2.gz FMRGWWRUKBFXQC-RLLQIKCJSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000532315363 516905058 /nfs/dbraw/zinc/90/50/58/516905058.db2.gz FMRGWWRUKBFXQC-RLLQIKCJSA-N 1 3 358.530 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)cc2)CC1 ZINC000525239641 516974010 /nfs/dbraw/zinc/97/40/10/516974010.db2.gz COJBDVPBFYRMFE-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2)CC1 ZINC000525239641 516974019 /nfs/dbraw/zinc/97/40/19/516974019.db2.gz COJBDVPBFYRMFE-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000558908386 516999016 /nfs/dbraw/zinc/99/90/16/516999016.db2.gz VYTVONALJRCPIQ-INIZCTEOSA-N 1 3 352.910 2.726 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCCC[C@H]1C ZINC000555624740 517023950 /nfs/dbraw/zinc/02/39/50/517023950.db2.gz SMGHOAJYYOZWMF-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)C2)c1 ZINC000552048301 517048464 /nfs/dbraw/zinc/04/84/64/517048464.db2.gz NXARWBKBDPKYPY-NOOVBMIQSA-N 1 3 359.514 2.745 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)C2)c1 ZINC000552048301 517048475 /nfs/dbraw/zinc/04/84/75/517048475.db2.gz NXARWBKBDPKYPY-NOOVBMIQSA-N 1 3 359.514 2.745 20 0 FFADHO CCCN(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000525474546 517053612 /nfs/dbraw/zinc/05/36/12/517053612.db2.gz DXRVGALSPPIZMO-UHFFFAOYSA-N 1 3 359.436 2.937 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CC=C(C)CC2)CC1 ZINC000545150565 517069765 /nfs/dbraw/zinc/06/97/65/517069765.db2.gz IEDIXXRDODDOIZ-UHFFFAOYSA-N 1 3 356.558 2.960 20 0 FFADHO c1ccc(C[N@H+]2CCC3(C2)CCN(CCN2C[C@H]4CC[C@@H](C2)O4)CC3)cc1 ZINC000537290494 517126140 /nfs/dbraw/zinc/12/61/40/517126140.db2.gz OFSGGNNGIYJEBV-SZPZYZBQSA-N 1 3 369.553 2.838 20 0 FFADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(CCN2C[C@H]4CC[C@@H](C2)O4)CC3)cc1 ZINC000537290494 517126149 /nfs/dbraw/zinc/12/61/49/517126149.db2.gz OFSGGNNGIYJEBV-SZPZYZBQSA-N 1 3 369.553 2.838 20 0 FFADHO C[C@@H]1CCC[C@@](CNC[C@H](O)CN2CCc3ccccc3C2)([NH+](C)C)C1 ZINC000552226532 517150310 /nfs/dbraw/zinc/15/03/10/517150310.db2.gz GUKLNGDXFMMCJH-BVYCBKJFSA-N 1 3 359.558 2.506 20 0 FFADHO C[C@@H]1CCC[C@@](C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)(N(C)C)C1 ZINC000552226532 517150320 /nfs/dbraw/zinc/15/03/20/517150320.db2.gz GUKLNGDXFMMCJH-BVYCBKJFSA-N 1 3 359.558 2.506 20 0 FFADHO C[C@@H]1CCC[C@@](CNC[C@@H](O)CN2CCc3ccccc3C2)([NH+](C)C)C1 ZINC000552226535 517151452 /nfs/dbraw/zinc/15/14/52/517151452.db2.gz GUKLNGDXFMMCJH-STZQEDGTSA-N 1 3 359.558 2.506 20 0 FFADHO C[C@@H]1CCC[C@@](C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)(N(C)C)C1 ZINC000552226535 517151456 /nfs/dbraw/zinc/15/14/56/517151456.db2.gz GUKLNGDXFMMCJH-STZQEDGTSA-N 1 3 359.558 2.506 20 0 FFADHO c1ccc(CN2C[C@@H](C[NH2+]C[C@H]3CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559327207 517184503 /nfs/dbraw/zinc/18/45/03/517184503.db2.gz WTAUOAIWCALZNR-NHCUHLMSSA-N 1 3 358.526 2.931 20 0 FFADHO C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000525962588 517259696 /nfs/dbraw/zinc/25/96/96/517259696.db2.gz VBJOHMVWTYWKTE-SYYKKAFVSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000525962588 517259708 /nfs/dbraw/zinc/25/97/08/517259708.db2.gz VBJOHMVWTYWKTE-SYYKKAFVSA-N 1 3 355.526 2.889 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093618 517272613 /nfs/dbraw/zinc/27/26/13/517272613.db2.gz CNWKAWBZALTVBD-SXLOBPIMSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093618 517272621 /nfs/dbraw/zinc/27/26/21/517272621.db2.gz CNWKAWBZALTVBD-SXLOBPIMSA-N 1 3 359.489 2.781 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000548972250 517333896 /nfs/dbraw/zinc/33/38/96/517333896.db2.gz LLMRQRKDXNGUDX-CRAIPNDOSA-N 1 3 366.937 2.974 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000548972250 517333903 /nfs/dbraw/zinc/33/39/03/517333903.db2.gz LLMRQRKDXNGUDX-CRAIPNDOSA-N 1 3 366.937 2.974 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000520374633 517365877 /nfs/dbraw/zinc/36/58/77/517365877.db2.gz PDFKRYGTWPGFJT-GEALJGNFSA-N 1 3 356.514 2.509 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000552806406 517399990 /nfs/dbraw/zinc/39/99/90/517399990.db2.gz CXMAZVPXEYGKQC-UHFFFAOYSA-N 1 3 359.470 2.550 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000515580710 517411899 /nfs/dbraw/zinc/41/18/99/517411899.db2.gz DMYJLFNBYLGSOD-NQIIRXRSSA-N 1 3 371.525 2.846 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000515580710 517411910 /nfs/dbraw/zinc/41/19/10/517411910.db2.gz DMYJLFNBYLGSOD-NQIIRXRSSA-N 1 3 371.525 2.846 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562806182 517419540 /nfs/dbraw/zinc/41/95/40/517419540.db2.gz PWMBPCFTYBWKAI-IFMALSPDSA-N 1 3 372.557 2.928 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000542252169 517464919 /nfs/dbraw/zinc/46/49/19/517464919.db2.gz BWUBCCCVLLRXDB-INIZCTEOSA-N 1 3 350.551 2.623 20 0 FFADHO CN(c1ccccc1CNCCOc1ncccc1F)C1CC[NH+](C)CC1 ZINC000533466859 517477740 /nfs/dbraw/zinc/47/77/40/517477740.db2.gz SVSGISBCESDMFC-UHFFFAOYSA-N 1 3 372.488 2.920 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000515828396 517487540 /nfs/dbraw/zinc/48/75/40/517487540.db2.gz MEOLTHVMKHWTAN-OAQYLSRUSA-N 1 3 374.573 2.921 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000515828396 517487546 /nfs/dbraw/zinc/48/75/46/517487546.db2.gz MEOLTHVMKHWTAN-OAQYLSRUSA-N 1 3 374.573 2.921 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CN1Cc1ccccc1 ZINC000516025923 517541543 /nfs/dbraw/zinc/54/15/43/517541543.db2.gz VWEMCRDSTVRCNA-MLYOOKFZSA-N 1 3 358.530 2.714 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000560056252 517555771 /nfs/dbraw/zinc/55/57/71/517555771.db2.gz GQQDFYAXOSUYJY-HKUYNNGSSA-N 1 3 358.530 2.983 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(OC)c1 ZINC000562989638 517561691 /nfs/dbraw/zinc/56/16/91/517561691.db2.gz OUKCUYVBKIOGKT-XLIPENADSA-N 1 3 362.514 2.930 20 0 FFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000527223199 517572707 /nfs/dbraw/zinc/57/27/07/517572707.db2.gz SAXKEFUOLXUEEI-ZWKOTPCHSA-N 1 3 363.546 2.813 20 0 FFADHO O=C1CC[C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2N1 ZINC000542500301 517596853 /nfs/dbraw/zinc/59/68/53/517596853.db2.gz UMRKRSYGLCNLCD-AZUAARDMSA-N 1 3 365.477 2.816 20 0 FFADHO O=C1CC[C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2N1 ZINC000542500301 517596861 /nfs/dbraw/zinc/59/68/61/517596861.db2.gz UMRKRSYGLCNLCD-AZUAARDMSA-N 1 3 365.477 2.816 20 0 FFADHO Cc1noc(C)c1CCN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533760191 517601996 /nfs/dbraw/zinc/60/19/96/517601996.db2.gz AZIIKDWOSCRELP-UHFFFAOYSA-N 1 3 362.562 2.962 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000516205631 517617361 /nfs/dbraw/zinc/61/73/61/517617361.db2.gz LYWVHBHTTRWQDI-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO Fc1ccccc1-c1n[nH]cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247533 517653535 /nfs/dbraw/zinc/65/35/35/517653535.db2.gz AILKWECQQYDXSN-QGZVFWFLSA-N 1 3 358.461 2.806 20 0 FFADHO c1nc(-c2ccccn2)sc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248512 517654427 /nfs/dbraw/zinc/65/44/27/517654427.db2.gz LPAKEKRRSMDMDA-MRXNPFEDSA-N 1 3 358.511 2.796 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)c(F)c3)CC2)CC1 ZINC000553345622 517656663 /nfs/dbraw/zinc/65/66/63/517656663.db2.gz SDJOUBVXWPIYRX-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3cnccn3)cc2)C[C@H]1C ZINC000563111491 517667132 /nfs/dbraw/zinc/66/71/32/517667132.db2.gz LKIVCQXXEHRYQN-HDICACEKSA-N 1 3 354.498 2.776 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3cnccn3)cc2)C[C@H]1C ZINC000563111491 517667141 /nfs/dbraw/zinc/66/71/41/517667141.db2.gz LKIVCQXXEHRYQN-HDICACEKSA-N 1 3 354.498 2.776 20 0 FFADHO CC(C)OCc1ccccc1CNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563155030 517698209 /nfs/dbraw/zinc/69/82/09/517698209.db2.gz YFVKECNBGLJEHZ-UXHICEINSA-N 1 3 373.541 2.549 20 0 FFADHO CC[C@@]1(C)Oc2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2O1 ZINC000527490334 517705192 /nfs/dbraw/zinc/70/51/92/517705192.db2.gz AMYLWTKNWRYCPR-IBGZPJMESA-N 1 3 364.490 2.541 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1-c1ccnn1C ZINC000556866851 517718967 /nfs/dbraw/zinc/71/89/67/517718967.db2.gz ONQSQPNZBVSDMI-FQEVSTJZSA-N 1 3 369.557 2.935 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1-c1ccnn1C ZINC000556866851 517718977 /nfs/dbraw/zinc/71/89/77/517718977.db2.gz ONQSQPNZBVSDMI-FQEVSTJZSA-N 1 3 369.557 2.935 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H]1c1ccccc1 ZINC000542770094 517729238 /nfs/dbraw/zinc/72/92/38/517729238.db2.gz MYLHOAHQRVODNH-MOPGFXCFSA-N 1 3 358.530 2.853 20 0 FFADHO O=C(NCC1CC[NH2+]CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000516554954 517740434 /nfs/dbraw/zinc/74/04/34/517740434.db2.gz FMIPUOXGVSPKHO-JOCHJYFZSA-N 1 3 370.541 2.684 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C2CC2)s1 ZINC000521463663 517742817 /nfs/dbraw/zinc/74/28/17/517742817.db2.gz KGDWLRBIYCOEME-OAHLLOKOSA-N 1 3 350.532 2.509 20 0 FFADHO CCc1nncn1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000546679689 517796272 /nfs/dbraw/zinc/79/62/72/517796272.db2.gz ZHHQOVHVSBBHBM-SLFFLAALSA-N 1 3 353.514 2.731 20 0 FFADHO CCc1nncn1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000546679689 517796278 /nfs/dbraw/zinc/79/62/78/517796278.db2.gz ZHHQOVHVSBBHBM-SLFFLAALSA-N 1 3 353.514 2.731 20 0 FFADHO CCc1nncn1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000546679689 517796286 /nfs/dbraw/zinc/79/62/86/517796286.db2.gz ZHHQOVHVSBBHBM-SLFFLAALSA-N 1 3 353.514 2.731 20 0 FFADHO CCO[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000549943046 517798109 /nfs/dbraw/zinc/79/81/09/517798109.db2.gz MRDWXWUKBLVHCS-BHDDXSALSA-N 1 3 368.525 2.898 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)NC2CCN(C)CC2)CC1)CC1CC1 ZINC000538914942 517840822 /nfs/dbraw/zinc/84/08/22/517840822.db2.gz VTVPTMWBSCADGL-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)NC2CCN(C)CC2)CC1)CC1CC1 ZINC000538914942 517840827 /nfs/dbraw/zinc/84/08/27/517840827.db2.gz VTVPTMWBSCADGL-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccc(I)cc2)C1 ZINC000563424183 517895048 /nfs/dbraw/zinc/89/50/48/517895048.db2.gz JPTJCOYCOJQHQN-QWHCGFSZSA-N 1 3 360.239 2.530 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNCC2 ZINC000516855323 517872752 /nfs/dbraw/zinc/87/27/52/517872752.db2.gz GMDVUOPHFZXGPX-GOSISDBHSA-N 1 3 364.493 2.976 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNCC2 ZINC000516855323 517872766 /nfs/dbraw/zinc/87/27/66/517872766.db2.gz GMDVUOPHFZXGPX-GOSISDBHSA-N 1 3 364.493 2.976 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNC[C@@H](O)C(F)(F)F)cc2)C[C@H]1C ZINC000521994535 517937798 /nfs/dbraw/zinc/93/77/98/517937798.db2.gz CBNNOIYOXPBSNN-RVKKMQEKSA-N 1 3 374.447 2.709 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNC[C@@H](O)C(F)(F)F)cc2)C[C@H]1C ZINC000521994535 517937808 /nfs/dbraw/zinc/93/78/08/517937808.db2.gz CBNNOIYOXPBSNN-RVKKMQEKSA-N 1 3 374.447 2.709 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000553886136 517952502 /nfs/dbraw/zinc/95/25/02/517952502.db2.gz OXKUCERQQUQLKX-MOPGFXCFSA-N 1 3 354.922 2.676 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000563545524 517974073 /nfs/dbraw/zinc/97/40/73/517974073.db2.gz MLFHJBUHYQBLGG-PCCBWWKXSA-N 1 3 370.541 2.511 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553946669 517985920 /nfs/dbraw/zinc/98/59/20/517985920.db2.gz KXEKAXCEOHVGEM-UGKGYDQZSA-N 1 3 368.525 2.531 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553946669 517985929 /nfs/dbraw/zinc/98/59/29/517985929.db2.gz KXEKAXCEOHVGEM-UGKGYDQZSA-N 1 3 368.525 2.531 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000517104975 518026904 /nfs/dbraw/zinc/02/69/04/518026904.db2.gz YZTITXSVNCLMTR-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO CCCOc1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2ccccc21 ZINC000530881284 518028738 /nfs/dbraw/zinc/02/87/38/518028738.db2.gz LGWVHOCXCVNTJZ-UHFFFAOYSA-N 1 3 372.513 2.589 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522224359 518039843 /nfs/dbraw/zinc/03/98/43/518039843.db2.gz WTQYNNVNYDHZME-LJQANCHMSA-N 1 3 358.530 2.674 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000522289387 518067493 /nfs/dbraw/zinc/06/74/93/518067493.db2.gz BTILXZITVFGAMJ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000522304779 518074057 /nfs/dbraw/zinc/07/40/57/518074057.db2.gz BEWKKVCLFXMVBZ-HXUWFJFHSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000522304779 518074067 /nfs/dbraw/zinc/07/40/67/518074067.db2.gz BEWKKVCLFXMVBZ-HXUWFJFHSA-N 1 3 370.541 2.777 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@@H](C(C)C)N2CCCCCC2)CC1 ZINC000547325833 518078749 /nfs/dbraw/zinc/07/87/49/518078749.db2.gz DLYCEESUIGJLPO-FQEVSTJZSA-N 1 3 367.578 2.894 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528148098 518119621 /nfs/dbraw/zinc/11/96/21/518119621.db2.gz GKOUCXAQLNBABD-MJGOQNOKSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528148098 518119624 /nfs/dbraw/zinc/11/96/24/518119624.db2.gz GKOUCXAQLNBABD-MJGOQNOKSA-N 1 3 350.551 2.813 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000572557452 518245041 /nfs/dbraw/zinc/24/50/41/518245041.db2.gz XRDMIUVLCBNGPL-RBUKOAKNSA-N 1 3 362.562 2.825 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC000572619964 518280554 /nfs/dbraw/zinc/28/05/54/518280554.db2.gz YOXPTPWGVPDXDY-UWHLTILDSA-N 1 3 370.541 2.667 20 0 FFADHO Cc1cc(C)c(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Br ZINC000581469009 518298709 /nfs/dbraw/zinc/29/87/09/518298709.db2.gz WNRMWTHDBIFLAO-UHFFFAOYSA-N 1 3 370.335 2.631 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c(OC)c1 ZINC000578639940 518306803 /nfs/dbraw/zinc/30/68/03/518306803.db2.gz KHSWAYOULGNSLI-VOSNQSNISA-N 1 3 360.498 2.542 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000578639940 518306807 /nfs/dbraw/zinc/30/68/07/518306807.db2.gz KHSWAYOULGNSLI-VOSNQSNISA-N 1 3 360.498 2.542 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000578639940 518306810 /nfs/dbraw/zinc/30/68/10/518306810.db2.gz KHSWAYOULGNSLI-VOSNQSNISA-N 1 3 360.498 2.542 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000567095982 518348526 /nfs/dbraw/zinc/34/85/26/518348526.db2.gz NVZUUNLSJAHNMQ-MJGOQNOKSA-N 1 3 358.530 2.941 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)C1 ZINC000578738883 518351223 /nfs/dbraw/zinc/35/12/23/518351223.db2.gz JWNVVLRJFNLAAI-LPHOPBHVSA-N 1 3 358.461 2.934 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000584523864 518382479 /nfs/dbraw/zinc/38/24/79/518382479.db2.gz DONXICDOAHCPDD-FHLIZLRMSA-N 1 3 365.905 2.724 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000567171095 518389041 /nfs/dbraw/zinc/38/90/41/518389041.db2.gz VPELMMVSMCPDQK-IRLDBZIGSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000567171095 518389046 /nfs/dbraw/zinc/38/90/46/518389046.db2.gz VPELMMVSMCPDQK-IRLDBZIGSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000581661264 518394771 /nfs/dbraw/zinc/39/47/71/518394771.db2.gz IHPSASSFMIEFTK-AEFFLSMTSA-N 1 3 359.514 2.897 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2cccc3ccccc32)CCCO1 ZINC000564320216 518397825 /nfs/dbraw/zinc/39/78/25/518397825.db2.gz YLLJEZKWHKBXGM-UYAOXDASSA-N 1 3 372.509 2.670 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2cccc3ccccc32)CCCO1 ZINC000564320216 518397830 /nfs/dbraw/zinc/39/78/30/518397830.db2.gz YLLJEZKWHKBXGM-UYAOXDASSA-N 1 3 372.509 2.670 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000578863885 518410701 /nfs/dbraw/zinc/41/07/01/518410701.db2.gz AECCLKPKTQATTO-HBFSDRIKSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000567222135 518413135 /nfs/dbraw/zinc/41/31/35/518413135.db2.gz MGFREIGZNBBADU-OAHLLOKOSA-N 1 3 364.559 2.729 20 0 FFADHO CN(c1ccccc1C[NH2+]CC[C@@H](O)C(F)(F)F)C1CCN(C)CC1 ZINC000584682012 518427269 /nfs/dbraw/zinc/42/72/69/518427269.db2.gz DKBBWQKNCLXYMM-QGZVFWFLSA-N 1 3 359.436 2.620 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(C)C ZINC000567248228 518428646 /nfs/dbraw/zinc/42/86/46/518428646.db2.gz RTJPBHOEUHUNHJ-QLIIJSOBSA-N 1 3 358.530 2.674 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)c(C)c2)CC1 ZINC000576129610 518443364 /nfs/dbraw/zinc/44/33/64/518443364.db2.gz RMBICKFBFWUCAQ-QZTJIDSGSA-N 1 3 373.545 2.728 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c2cccs2)CC1 ZINC000567336232 518470319 /nfs/dbraw/zinc/47/03/19/518470319.db2.gz JJPAIQHJUPQYLL-GVDBMIGSSA-N 1 3 364.559 2.961 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccccc1O2 ZINC000584875331 518519508 /nfs/dbraw/zinc/51/95/08/518519508.db2.gz UUYBXYTVRSZWRC-WOJBJXKFSA-N 1 3 374.525 2.742 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)c2)CC1 ZINC000570262952 518521611 /nfs/dbraw/zinc/52/16/11/518521611.db2.gz QBTVSRGGEVDWFE-HXUWFJFHSA-N 1 3 373.545 2.858 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)CN1CCCC1 ZINC000576377135 518563779 /nfs/dbraw/zinc/56/37/79/518563779.db2.gz BDZZPBJTBRPICI-MRXNPFEDSA-N 1 3 357.498 2.773 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000567553280 518580955 /nfs/dbraw/zinc/58/09/55/518580955.db2.gz KHCYAZMSGJVNHY-BJLQDIEVSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000567553280 518580961 /nfs/dbraw/zinc/58/09/61/518580961.db2.gz KHCYAZMSGJVNHY-BJLQDIEVSA-N 1 3 360.546 2.925 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000582118719 518597541 /nfs/dbraw/zinc/59/75/41/518597541.db2.gz IAZMWAILTASZOG-ROUUACIJSA-N 1 3 355.507 2.888 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000576465705 518605608 /nfs/dbraw/zinc/60/56/08/518605608.db2.gz JWPCXIUEGCOEBC-IRLDBZIGSA-N 1 3 370.585 2.799 20 0 FFADHO COc1ccc2c(c1)OC[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000564793568 518618307 /nfs/dbraw/zinc/61/83/07/518618307.db2.gz XOEAOKDRTJVMER-WVBUVRCRSA-N 1 3 366.461 2.844 20 0 FFADHO Cc1ccc(CNC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(-c2ccnn2C)c1 ZINC000570465972 518621503 /nfs/dbraw/zinc/62/15/03/518621503.db2.gz XDPCPGYIGQWEMI-VXKWHMMOSA-N 1 3 368.525 2.863 20 0 FFADHO Cc1ccc(-c2nc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)co2)cc1 ZINC000564824483 518634840 /nfs/dbraw/zinc/63/48/40/518634840.db2.gz PMKLRLFRDRUPBP-SLFFLAALSA-N 1 3 355.482 2.939 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)[C@@H]3CCCNC3)CC2)cc1 ZINC000564823351 518635349 /nfs/dbraw/zinc/63/53/49/518635349.db2.gz LRGQWCDRIUGQJZ-QFBILLFUSA-N 1 3 358.530 2.587 20 0 FFADHO NCc1cccnc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000570499933 518637602 /nfs/dbraw/zinc/63/76/02/518637602.db2.gz UXVBSUSBJURLAC-OALUTQOASA-N 1 3 365.481 2.526 20 0 FFADHO NCc1cccnc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000570499933 518637609 /nfs/dbraw/zinc/63/76/09/518637609.db2.gz UXVBSUSBJURLAC-OALUTQOASA-N 1 3 365.481 2.526 20 0 FFADHO C[N@H+](C[C@H](O)CNCCc1cc(Cl)ccc1Br)C1CC1 ZINC000567687603 518655857 /nfs/dbraw/zinc/65/58/57/518655857.db2.gz ZUMYOAXZIMUQBZ-CQSZACIVSA-N 1 3 361.711 2.690 20 0 FFADHO C[N@@H+](C[C@H](O)CNCCc1cc(Cl)ccc1Br)C1CC1 ZINC000567687603 518655862 /nfs/dbraw/zinc/65/58/62/518655862.db2.gz ZUMYOAXZIMUQBZ-CQSZACIVSA-N 1 3 361.711 2.690 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000573493768 518693801 /nfs/dbraw/zinc/69/38/01/518693801.db2.gz GGGFBQASLPCWTN-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000573493768 518693807 /nfs/dbraw/zinc/69/38/07/518693807.db2.gz GGGFBQASLPCWTN-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000567818367 518729971 /nfs/dbraw/zinc/72/99/71/518729971.db2.gz YADAXVLXWWXDIZ-IERDGZPVSA-N 1 3 364.493 2.610 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000567818366 518730055 /nfs/dbraw/zinc/73/00/55/518730055.db2.gz YADAXVLXWWXDIZ-HRAATJIYSA-N 1 3 364.493 2.610 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000573580336 518737050 /nfs/dbraw/zinc/73/70/50/518737050.db2.gz VAGJWGRNPFUJNS-OXJNMPFZSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000573580336 518737055 /nfs/dbraw/zinc/73/70/55/518737055.db2.gz VAGJWGRNPFUJNS-OXJNMPFZSA-N 1 3 354.498 2.813 20 0 FFADHO NC[C@H](NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000579572698 518745679 /nfs/dbraw/zinc/74/56/79/518745679.db2.gz PVOUJINEXMNOHL-MUGJNUQGSA-N 1 3 352.482 2.608 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000573659363 518770093 /nfs/dbraw/zinc/77/00/93/518770093.db2.gz VOUUEAPPASCZLC-CQSZACIVSA-N 1 3 372.966 2.914 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[C@H]1[NH3+] ZINC000582595464 518829853 /nfs/dbraw/zinc/82/98/53/518829853.db2.gz FUMCYOAINQHLTK-JYYAWHABSA-N 1 3 350.532 2.510 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC[C@H](O)Cn2cccn2)C1 ZINC000570955512 518859272 /nfs/dbraw/zinc/85/92/72/518859272.db2.gz BWQMSPAUCREOTH-OPYAIIAOSA-N 1 3 356.514 2.512 20 0 FFADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582666045 518865273 /nfs/dbraw/zinc/86/52/73/518865273.db2.gz IBFZFRSLPGFXLA-GASCZTMLSA-N 1 3 370.324 2.883 20 0 FFADHO C[C@]1(O)CCCN(Cc2cncc(C[N@@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000579918920 518916078 /nfs/dbraw/zinc/91/60/78/518916078.db2.gz WQYCHIGOSLSLMB-SFTDATJTSA-N 1 3 361.530 2.555 20 0 FFADHO C[C@]1(O)CCCN(Cc2cncc(C[N@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000579918920 518916080 /nfs/dbraw/zinc/91/60/80/518916080.db2.gz WQYCHIGOSLSLMB-SFTDATJTSA-N 1 3 361.530 2.555 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000571077951 518917076 /nfs/dbraw/zinc/91/70/76/518917076.db2.gz AESKNSWLKXFAIF-JOCHJYFZSA-N 1 3 363.505 2.963 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000582784308 518921742 /nfs/dbraw/zinc/92/17/42/518921742.db2.gz FRTKYRZYJIBAIP-LZLYRXPVSA-N 1 3 355.486 2.560 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000579933765 518927180 /nfs/dbraw/zinc/92/71/80/518927180.db2.gz GQNHRDDHSHBJEP-UHFFFAOYSA-N 1 3 356.514 2.568 20 0 FFADHO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000565429274 518951979 /nfs/dbraw/zinc/95/19/79/518951979.db2.gz WDDSNUPXSNOCFZ-JRSUCEMESA-N 1 3 352.563 2.875 20 0 FFADHO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000565429274 518951988 /nfs/dbraw/zinc/95/19/88/518951988.db2.gz WDDSNUPXSNOCFZ-JRSUCEMESA-N 1 3 352.563 2.875 20 0 FFADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000565429274 518951991 /nfs/dbraw/zinc/95/19/91/518951991.db2.gz WDDSNUPXSNOCFZ-JRSUCEMESA-N 1 3 352.563 2.875 20 0 FFADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000565429274 518952002 /nfs/dbraw/zinc/95/20/02/518952002.db2.gz WDDSNUPXSNOCFZ-JRSUCEMESA-N 1 3 352.563 2.875 20 0 FFADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@@H](CC)O1 ZINC000568293173 518967854 /nfs/dbraw/zinc/96/78/54/518967854.db2.gz HXUUYGMVTUHEIB-WOJBJXKFSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000582894342 518973754 /nfs/dbraw/zinc/97/37/54/518973754.db2.gz OVSBCMXESKJGLU-BQJUDKOJSA-N 1 3 370.541 2.819 20 0 FFADHO Cc1cc(C)n(-c2ccc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2)n1 ZINC000574089171 518982033 /nfs/dbraw/zinc/98/20/33/518982033.db2.gz KTRBZRNNGGNDNQ-RTWAWAEBSA-N 1 3 354.498 2.817 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000580079482 518998132 /nfs/dbraw/zinc/99/81/32/518998132.db2.gz QXFXDRCYVXRMFO-UWJYYQICSA-N 1 3 369.484 2.991 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000580085998 519000590 /nfs/dbraw/zinc/00/05/90/519000590.db2.gz CHJCFAMXNJITFM-SFHVURJKSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000580085998 519000596 /nfs/dbraw/zinc/00/05/96/519000596.db2.gz CHJCFAMXNJITFM-SFHVURJKSA-N 1 3 373.541 2.524 20 0 FFADHO [NH3+][C@H](CC(=O)NC[C@H](c1cccs1)N1CCCC1)Cc1ccccc1 ZINC000582961187 519009040 /nfs/dbraw/zinc/00/90/40/519009040.db2.gz UCJHNJUKRVUCNY-ZWKOTPCHSA-N 1 3 357.523 2.961 20 0 FFADHO O=C1CCCN1CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000582970065 519013977 /nfs/dbraw/zinc/01/39/77/519013977.db2.gz LAZATUFGDYCWNG-NJDAHSKKSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CCCN1CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000582970065 519013982 /nfs/dbraw/zinc/01/39/82/519013982.db2.gz LAZATUFGDYCWNG-NJDAHSKKSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CCCN1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000582970065 519013986 /nfs/dbraw/zinc/01/39/86/519013986.db2.gz LAZATUFGDYCWNG-NJDAHSKKSA-N 1 3 355.526 2.889 20 0 FFADHO CN(CCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000571293987 519023143 /nfs/dbraw/zinc/02/31/43/519023143.db2.gz KYBQEAYPNYMVAI-NRFANRHFSA-N 1 3 352.482 2.689 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000582992578 519023065 /nfs/dbraw/zinc/02/30/65/519023065.db2.gz DHOZWBGBGZMPND-ZWKOTPCHSA-N 1 3 352.567 2.726 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000582992578 519023070 /nfs/dbraw/zinc/02/30/70/519023070.db2.gz DHOZWBGBGZMPND-ZWKOTPCHSA-N 1 3 352.567 2.726 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000583014906 519035178 /nfs/dbraw/zinc/03/51/78/519035178.db2.gz IHRWIZKNKMZOSR-SFTDATJTSA-N 1 3 373.541 2.791 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C(F)(F)F)CCC3)CC2)CC1 ZINC000577384582 519055241 /nfs/dbraw/zinc/05/52/41/519055241.db2.gz CTXTYNKIADPWCN-UHFFFAOYSA-N 1 3 361.452 2.784 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577397602 519060870 /nfs/dbraw/zinc/06/08/70/519060870.db2.gz QFOSFELHVDMVGC-GBJTYRQASA-N 1 3 363.468 2.694 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577397602 519060876 /nfs/dbraw/zinc/06/08/76/519060876.db2.gz QFOSFELHVDMVGC-GBJTYRQASA-N 1 3 363.468 2.694 20 0 FFADHO CCC[NH2+][C@@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574274063 519075303 /nfs/dbraw/zinc/07/53/03/519075303.db2.gz CSQYPCZOZYECSQ-PKOBYXMFSA-N 1 3 369.513 2.965 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000589951118 519110499 /nfs/dbraw/zinc/11/04/99/519110499.db2.gz ODIOAERCRFNXTK-RTWAWAEBSA-N 1 3 370.541 2.771 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000568607996 519126072 /nfs/dbraw/zinc/12/60/72/519126072.db2.gz JVIZGDGSIAJAFO-PWRODBHTSA-N 1 3 370.541 2.819 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000590184484 519170969 /nfs/dbraw/zinc/17/09/69/519170969.db2.gz BPUGTXBFZPJRGM-IPMKNSEASA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000590243125 519180568 /nfs/dbraw/zinc/18/05/68/519180568.db2.gz HJQZUCFYCTXGPB-UYAOXDASSA-N 1 3 359.514 2.682 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000571656697 519205919 /nfs/dbraw/zinc/20/59/19/519205919.db2.gz UXCMNBJRAPKGCQ-WCIQWLHISA-N 1 3 358.530 2.539 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc2C1 ZINC000583379626 519217987 /nfs/dbraw/zinc/21/79/87/519217987.db2.gz HWEBFKVXPYWQSA-IRLDBZIGSA-N 1 3 363.505 2.827 20 0 FFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000580543930 519231381 /nfs/dbraw/zinc/23/13/81/519231381.db2.gz YYCDITHERKFRHX-MBSDFSHPSA-N 1 3 368.521 2.898 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](c3nccn3C)C2)CC1 ZINC000574605923 519237477 /nfs/dbraw/zinc/23/74/77/519237477.db2.gz BXIDOIAYWYBCKM-HXUWFJFHSA-N 1 3 367.541 2.942 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](c3nccn3C)C2)CC1 ZINC000574605923 519237487 /nfs/dbraw/zinc/23/74/87/519237487.db2.gz BXIDOIAYWYBCKM-HXUWFJFHSA-N 1 3 367.541 2.942 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccsc1 ZINC000580741381 519332471 /nfs/dbraw/zinc/33/24/71/519332471.db2.gz UADZEHMGIFQNKL-SFHVURJKSA-N 1 3 361.559 2.986 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccsc1 ZINC000580741381 519332477 /nfs/dbraw/zinc/33/24/77/519332477.db2.gz UADZEHMGIFQNKL-SFHVURJKSA-N 1 3 361.559 2.986 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000566193038 519361760 /nfs/dbraw/zinc/36/17/60/519361760.db2.gz HNKHAJJJUVGKBD-QGZVFWFLSA-N 1 3 358.511 2.843 20 0 FFADHO Cn1nc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000578005106 519367355 /nfs/dbraw/zinc/36/73/55/519367355.db2.gz DUHPCVZSOQVTGX-SIKLNZKXSA-N 1 3 362.477 2.961 20 0 FFADHO CN(Cc1c(F)cccc1Cl)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245383 519390820 /nfs/dbraw/zinc/39/08/20/519390820.db2.gz OUKHCWDXHREDSB-CABCVRRESA-N 1 3 367.896 2.759 20 0 FFADHO [NH3+][C@@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000574984555 519437034 /nfs/dbraw/zinc/43/70/34/519437034.db2.gz GKCQPGIKDGYSPG-OAQYLSRUSA-N 1 3 351.494 2.681 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000572112295 519450513 /nfs/dbraw/zinc/45/05/13/519450513.db2.gz BVNVRDSAHSNOST-INIZCTEOSA-N 1 3 370.497 3.333 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000572112295 519450521 /nfs/dbraw/zinc/45/05/21/519450521.db2.gz BVNVRDSAHSNOST-INIZCTEOSA-N 1 3 370.497 3.333 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000566369759 519457285 /nfs/dbraw/zinc/45/72/85/519457285.db2.gz VSUIDSRKBAWFCJ-LJQANCHMSA-N 1 3 361.555 2.582 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000581091256 519518624 /nfs/dbraw/zinc/51/86/24/519518624.db2.gz GZYCEABOQZURAG-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[N@H+](CCCNCCC(=O)Nc2cccc(Cl)c2)CCCO1 ZINC000583989791 519536395 /nfs/dbraw/zinc/53/63/95/519536395.db2.gz QKUXOLQANRPZRX-OAHLLOKOSA-N 1 3 353.894 2.759 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNCCC(=O)Nc2cccc(Cl)c2)CCCO1 ZINC000583989791 519536402 /nfs/dbraw/zinc/53/64/02/519536402.db2.gz QKUXOLQANRPZRX-OAHLLOKOSA-N 1 3 353.894 2.759 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000581179861 519562064 /nfs/dbraw/zinc/56/20/64/519562064.db2.gz XGTHSOBQPBWLTL-GOSISDBHSA-N 1 3 354.454 2.593 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000591579523 519958900 /nfs/dbraw/zinc/95/89/00/519958900.db2.gz VEXBSVZRHLXELW-NHCUHLMSSA-N 1 3 372.557 2.930 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000591579523 519958904 /nfs/dbraw/zinc/95/89/04/519958904.db2.gz VEXBSVZRHLXELW-NHCUHLMSSA-N 1 3 372.557 2.930 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000608704315 520091411 /nfs/dbraw/zinc/09/14/11/520091411.db2.gz LDFRHPROZBSRBC-ICSRJNTNSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000608704315 520091414 /nfs/dbraw/zinc/09/14/14/520091414.db2.gz LDFRHPROZBSRBC-ICSRJNTNSA-N 1 3 358.530 2.695 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000603320354 520213546 /nfs/dbraw/zinc/21/35/46/520213546.db2.gz IAIHYUGNFISMMM-VQIMIIECSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCCCCC1 ZINC000594968149 520234250 /nfs/dbraw/zinc/23/42/50/520234250.db2.gz VFNUILVEDUVMOE-OALUTQOASA-N 1 3 350.551 2.671 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612969818 520247259 /nfs/dbraw/zinc/24/72/59/520247259.db2.gz GZQXZEKKOWQDMC-RBUKOAKNSA-N 1 3 356.514 2.655 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000600855896 520498284 /nfs/dbraw/zinc/49/82/84/520498284.db2.gz QBQNTKQSCKVAGD-ZWKOTPCHSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000600855896 520498291 /nfs/dbraw/zinc/49/82/91/520498291.db2.gz QBQNTKQSCKVAGD-ZWKOTPCHSA-N 1 3 352.567 2.918 20 0 FFADHO Cc1cc2occ(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2cc1C ZINC000617504035 520537204 /nfs/dbraw/zinc/53/72/04/520537204.db2.gz FYIHEXTZUZJSEN-KRWDZBQOSA-N 1 3 359.514 2.980 20 0 FFADHO Cc1cc2occ(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2cc1C ZINC000617504035 520537209 /nfs/dbraw/zinc/53/72/09/520537209.db2.gz FYIHEXTZUZJSEN-KRWDZBQOSA-N 1 3 359.514 2.980 20 0 FFADHO C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000617506536 520541509 /nfs/dbraw/zinc/54/15/09/520541509.db2.gz ROLHDTRDIDSZLV-CABCVRRESA-N 1 3 355.473 2.847 20 0 FFADHO C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000617506536 520541521 /nfs/dbraw/zinc/54/15/21/520541521.db2.gz ROLHDTRDIDSZLV-CABCVRRESA-N 1 3 355.473 2.847 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000595650526 520622456 /nfs/dbraw/zinc/62/24/56/520622456.db2.gz ATEHISFOFHHMRG-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000595650526 520622460 /nfs/dbraw/zinc/62/24/60/520622460.db2.gz ATEHISFOFHHMRG-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000604644082 520627056 /nfs/dbraw/zinc/62/70/56/520627056.db2.gz REZRWZFBZRGNKP-GGPKGHCWSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000604644082 520627063 /nfs/dbraw/zinc/62/70/63/520627063.db2.gz REZRWZFBZRGNKP-GGPKGHCWSA-N 1 3 358.530 2.805 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C ZINC000604752290 520659234 /nfs/dbraw/zinc/65/92/34/520659234.db2.gz DQBIYUBXJDSCIL-OALUTQOASA-N 1 3 360.546 2.776 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000601286580 520723684 /nfs/dbraw/zinc/72/36/84/520723684.db2.gz XPZCDVDMKPUIHO-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000601286580 520723690 /nfs/dbraw/zinc/72/36/90/520723690.db2.gz XPZCDVDMKPUIHO-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000605404010 520862036 /nfs/dbraw/zinc/86/20/36/520862036.db2.gz NQMVYCKVYMTFON-KDURUIRLSA-N 1 3 365.562 2.506 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000605404010 520862053 /nfs/dbraw/zinc/86/20/53/520862053.db2.gz NQMVYCKVYMTFON-KDURUIRLSA-N 1 3 365.562 2.506 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000605426474 520872598 /nfs/dbraw/zinc/87/25/98/520872598.db2.gz ROIRHVWJCBBGPV-UHFFFAOYSA-N 1 3 373.541 2.612 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000618373718 521039196 /nfs/dbraw/zinc/03/91/96/521039196.db2.gz VJSDHOASHGACFE-OAQYLSRUSA-N 1 3 355.526 2.986 20 0 FFADHO C[C@H](CC(C)(C)c1ccccc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607237708 521303142 /nfs/dbraw/zinc/30/31/42/521303142.db2.gz ZVACKFOYMPRBLA-GOSISDBHSA-N 1 3 362.562 2.878 20 0 FFADHO C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccccc1 ZINC000607752487 521448227 /nfs/dbraw/zinc/44/82/27/521448227.db2.gz HCZNPGFHZXMTDI-DYESRHJHSA-N 1 3 355.526 2.855 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000615853154 521559175 /nfs/dbraw/zinc/55/91/75/521559175.db2.gz KFHSKJCLSVXPEC-CTNGQTDRSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000615853154 521559185 /nfs/dbraw/zinc/55/91/85/521559185.db2.gz KFHSKJCLSVXPEC-CTNGQTDRSA-N 1 3 374.573 2.971 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000625881331 521756037 /nfs/dbraw/zinc/75/60/37/521756037.db2.gz NOXUCKRYOBRCFO-CABCVRRESA-N 1 3 372.435 2.782 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[N@H+](C)C3)cc2)CC1 ZINC000628756901 521778395 /nfs/dbraw/zinc/77/83/95/521778395.db2.gz XHYIJRZXOPFXIX-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)cc2)CC1 ZINC000628756901 521778398 /nfs/dbraw/zinc/77/83/98/521778398.db2.gz XHYIJRZXOPFXIX-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO COc1cccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000635005475 521861686 /nfs/dbraw/zinc/86/16/86/521861686.db2.gz JAYWQIQKUHBCBS-SJLPKXTDSA-N 1 3 355.482 2.962 20 0 FFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)c1 ZINC000635005475 521861697 /nfs/dbraw/zinc/86/16/97/521861697.db2.gz JAYWQIQKUHBCBS-SJLPKXTDSA-N 1 3 355.482 2.962 20 0 FFADHO Fc1ccc([C@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2ncc[nH]2)cc1 ZINC000635006035 521864143 /nfs/dbraw/zinc/86/41/43/521864143.db2.gz ALGIFUAQYWUMFN-SFHVURJKSA-N 1 3 352.417 2.555 20 0 FFADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(NS(C)(=O)=O)c1 ZINC000635011552 521867070 /nfs/dbraw/zinc/86/70/70/521867070.db2.gz QOEANLCEEMIKJO-AWEZNQCLSA-N 1 3 359.495 2.555 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000619904952 521939084 /nfs/dbraw/zinc/93/90/84/521939084.db2.gz RUOWLXJIGKUXMT-ROUUACIJSA-N 1 3 365.468 2.744 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000619904952 521939093 /nfs/dbraw/zinc/93/90/93/521939093.db2.gz RUOWLXJIGKUXMT-ROUUACIJSA-N 1 3 365.468 2.744 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000623414248 522005377 /nfs/dbraw/zinc/00/53/77/522005377.db2.gz ZEPMPJFYBIZNEP-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000623414248 522005389 /nfs/dbraw/zinc/00/53/89/522005389.db2.gz ZEPMPJFYBIZNEP-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO [NH3+]CCCOCCNCc1ccc(OC(F)F)c(Br)c1 ZINC000629400470 522190559 /nfs/dbraw/zinc/19/05/59/522190559.db2.gz YTFIKXWUANYSKB-UHFFFAOYSA-N 1 3 353.207 2.506 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000623656851 522196340 /nfs/dbraw/zinc/19/63/40/522196340.db2.gz DFGLJGSJEMFIJC-WWDZGPRUSA-N 1 3 369.509 2.915 20 0 FFADHO C[C@@H]1CC[C@H](N[C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C[NH2+]1 ZINC000629541813 522300910 /nfs/dbraw/zinc/30/09/10/522300910.db2.gz WRFUVYAVVKCMHA-NCOADZHNSA-N 1 3 355.482 2.714 20 0 FFADHO C[C@@H]1CC[C@H](N[C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C[NH2+]1 ZINC000629541815 522301332 /nfs/dbraw/zinc/30/13/32/522301332.db2.gz WRFUVYAVVKCMHA-WCXIOVBPSA-N 1 3 355.482 2.714 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000623878220 522342124 /nfs/dbraw/zinc/34/21/24/522342124.db2.gz BWPPWEZHNPEATL-IVAOSVALSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000623878220 522342128 /nfs/dbraw/zinc/34/21/28/522342128.db2.gz BWPPWEZHNPEATL-IVAOSVALSA-N 1 3 370.541 2.681 20 0 FFADHO C[NH2+]CCOCCN(C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000629653155 522371907 /nfs/dbraw/zinc/37/19/07/522371907.db2.gz GLALYTMBUAGHEC-UHFFFAOYSA-N 1 3 356.392 2.559 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000632937300 522410211 /nfs/dbraw/zinc/41/02/11/522410211.db2.gz BWJHBGJRHAAEAZ-IBGZPJMESA-N 1 3 354.498 2.872 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000632956429 522425971 /nfs/dbraw/zinc/42/59/71/522425971.db2.gz WDKCMWRIRBAMPW-LJQANCHMSA-N 1 3 372.513 2.830 20 0 FFADHO CC1CC[NH+](CCNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000620817586 522466949 /nfs/dbraw/zinc/46/69/49/522466949.db2.gz DAQSEIDUZRLFCQ-UHFFFAOYSA-N 1 3 350.551 2.626 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000624119342 522487497 /nfs/dbraw/zinc/48/74/97/522487497.db2.gz ACDSVLQBTQGZSQ-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119342 522487507 /nfs/dbraw/zinc/48/75/07/522487507.db2.gz ACDSVLQBTQGZSQ-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119342 522487515 /nfs/dbraw/zinc/48/75/15/522487515.db2.gz ACDSVLQBTQGZSQ-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(OC)c1 ZINC000624119872 522487592 /nfs/dbraw/zinc/48/75/92/522487592.db2.gz LDKKLSFAWITZGX-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@H+](C)C2)c(OC)c1 ZINC000624119872 522487599 /nfs/dbraw/zinc/48/75/99/522487599.db2.gz LDKKLSFAWITZGX-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624119872 522487604 /nfs/dbraw/zinc/48/76/04/522487604.db2.gz LDKKLSFAWITZGX-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000626926804 522535327 /nfs/dbraw/zinc/53/53/27/522535327.db2.gz OONUBNFWWJVTKF-IPMKNSEASA-N 1 3 362.518 2.518 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1Cc1ccccc1 ZINC000626995818 522579030 /nfs/dbraw/zinc/57/90/30/522579030.db2.gz ZSACDCMDKAZGRR-OZROYSPXSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000624344613 522620362 /nfs/dbraw/zinc/62/03/62/522620362.db2.gz NYBCXFJDLFGVEM-LAUBAEHRSA-N 1 3 355.526 2.825 20 0 FFADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000627237904 522732745 /nfs/dbraw/zinc/73/27/45/522732745.db2.gz KUARDDBLBHZOLX-XJKSGUPXSA-N 1 3 372.435 2.529 20 0 FFADHO Cc1ccc(CO[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000624935317 523039358 /nfs/dbraw/zinc/03/93/58/523039358.db2.gz IQKHYQRJSQQTCG-SFHVURJKSA-N 1 3 373.541 2.575 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(CCN(C)C)c3)cc2)C1 ZINC000630761628 523112639 /nfs/dbraw/zinc/11/26/39/523112639.db2.gz HVFLGFSZJQQEDS-QGZVFWFLSA-N 1 3 369.513 2.929 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnn(CCN(C)C)c3)cc2)C1 ZINC000630761628 523112647 /nfs/dbraw/zinc/11/26/47/523112647.db2.gz HVFLGFSZJQQEDS-QGZVFWFLSA-N 1 3 369.513 2.929 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cnc(C)s3)CC2)CC1 ZINC000634038457 523151500 /nfs/dbraw/zinc/15/15/00/523151500.db2.gz CGVSVEKZQONDKL-CQSZACIVSA-N 1 3 364.559 2.825 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625383201 523395044 /nfs/dbraw/zinc/39/50/44/523395044.db2.gz KBHTUTLWUILWDQ-HLAWJBBLSA-N 1 3 355.526 2.603 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625383201 523395052 /nfs/dbraw/zinc/39/50/52/523395052.db2.gz KBHTUTLWUILWDQ-HLAWJBBLSA-N 1 3 355.526 2.603 20 0 FFADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000634681389 523579698 /nfs/dbraw/zinc/57/96/98/523579698.db2.gz OPBKZAAVEUOBSL-IBGZPJMESA-N 1 3 359.514 2.559 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637369714 523587731 /nfs/dbraw/zinc/58/77/31/523587731.db2.gz BEWRDRYCRZMWRZ-UYAOXDASSA-N 1 3 362.562 2.767 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637369714 523587742 /nfs/dbraw/zinc/58/77/42/523587742.db2.gz BEWRDRYCRZMWRZ-UYAOXDASSA-N 1 3 362.562 2.767 20 0 FFADHO COc1ccc2c(c1)CC[C@@H]2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000631576844 523701546 /nfs/dbraw/zinc/70/15/46/523701546.db2.gz ZOTDBOSMARWFAV-NRFANRHFSA-N 1 3 367.493 2.764 20 0 FFADHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)C1 ZINC000631648033 523733165 /nfs/dbraw/zinc/73/31/65/523733165.db2.gz UUUBCVQSPZWGGE-BURNTYAHSA-N 1 3 356.510 2.691 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@@H+]1C ZINC000631725035 523766730 /nfs/dbraw/zinc/76/67/30/523766730.db2.gz LGDBZSWPCYJRBC-VQTJNVASSA-N 1 3 359.514 2.560 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@H+]1C ZINC000631725035 523766735 /nfs/dbraw/zinc/76/67/35/523766735.db2.gz LGDBZSWPCYJRBC-VQTJNVASSA-N 1 3 359.514 2.560 20 0 FFADHO Cc1cc(NC(=O)CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)no1 ZINC000521319385 562174306 /nfs/dbraw/zinc/17/43/06/562174306.db2.gz RXLPPWSSHXXDEQ-RTBURBONSA-N 1 3 368.481 2.766 20 0 FFADHO Cc1cc(NC(=O)CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)no1 ZINC000521319385 562174307 /nfs/dbraw/zinc/17/43/07/562174307.db2.gz RXLPPWSSHXXDEQ-RTBURBONSA-N 1 3 368.481 2.766 20 0 FFADHO Cc1cc(NC(=O)CCN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471857230 561013193 /nfs/dbraw/zinc/01/31/93/561013193.db2.gz OERWWELBHGBZCO-RBUKOAKNSA-N 1 3 370.497 2.984 20 0 FFADHO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)no1 ZINC000471857230 561013194 /nfs/dbraw/zinc/01/31/94/561013194.db2.gz OERWWELBHGBZCO-RBUKOAKNSA-N 1 3 370.497 2.984 20 0 FFADHO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)no1 ZINC000471857230 561013195 /nfs/dbraw/zinc/01/31/95/561013195.db2.gz OERWWELBHGBZCO-RBUKOAKNSA-N 1 3 370.497 2.984 20 0 FFADHO Cc1[nH+]c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cc2[nH]ccc21 ZINC001164769539 721183039 /nfs/dbraw/zinc/18/30/39/721183039.db2.gz MSNWVDHIURACJY-IRXDYDNUSA-N 1 3 350.470 2.563 20 0 FFADHO CN1CCC(NC(=S)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000063145600 728134563 /nfs/dbraw/zinc/13/45/63/728134563.db2.gz IPWXYRQZSIEIRC-UHFFFAOYSA-N 1 3 360.571 2.731 20 0 FFADHO Cc1ccc(NC(=O)CN(C)C2CCC([NH3+])CC2)c(Br)c1 ZINC000091846591 728463018 /nfs/dbraw/zinc/46/30/18/728463018.db2.gz ULDOYGBVHXUQGX-UHFFFAOYSA-N 1 3 354.292 2.898 20 0 FFADHO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183415486 729303567 /nfs/dbraw/zinc/30/35/67/729303567.db2.gz YCKREZUDWVGIFM-LPHOPBHVSA-N 1 3 350.503 2.729 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000418234278 729856330 /nfs/dbraw/zinc/85/63/30/729856330.db2.gz PTRBMKAUBDOUIG-ZOBUZTSGSA-N 1 3 350.532 2.580 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638554452 730033081 /nfs/dbraw/zinc/03/30/81/730033081.db2.gz FKZBDVNYTHXABV-ZDUSSCGKSA-N 1 3 359.345 2.939 20 0 FFADHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000638663366 730038186 /nfs/dbraw/zinc/03/81/86/730038186.db2.gz GFUWEEFRWDRRGS-NWDGAFQWSA-N 1 3 354.228 2.695 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638882461 730049921 /nfs/dbraw/zinc/04/99/21/730049921.db2.gz YQVTZIMBMHHCOD-CYBMUJFWSA-N 1 3 362.440 2.685 20 0 FFADHO CC[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC)c(OC)c1 ZINC000639169274 730065648 /nfs/dbraw/zinc/06/56/48/730065648.db2.gz DIGJFCXCIUKGKA-KRWDZBQOSA-N 1 3 350.503 2.980 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Br)n1 ZINC000925023033 738471565 /nfs/dbraw/zinc/47/15/65/738471565.db2.gz JLNSFDVTMRHCGU-KGLIPLIRSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(Br)n1 ZINC000925023033 738471569 /nfs/dbraw/zinc/47/15/69/738471569.db2.gz JLNSFDVTMRHCGU-KGLIPLIRSA-N 1 3 356.308 2.732 20 0 FFADHO CC(C)CCN1CCC([NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000925035549 738473111 /nfs/dbraw/zinc/47/31/11/738473111.db2.gz ODMLRAUMJAZGEL-UHFFFAOYSA-N 1 3 367.559 2.683 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000644588691 730485001 /nfs/dbraw/zinc/48/50/01/730485001.db2.gz GMARKGRZEPGXMD-SJLPKXTDSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000644588691 730485003 /nfs/dbraw/zinc/48/50/03/730485003.db2.gz GMARKGRZEPGXMD-SJLPKXTDSA-N 1 3 354.922 2.785 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000925732990 738525130 /nfs/dbraw/zinc/52/51/30/738525130.db2.gz IGXMERHKUJPCPN-CDHQVMDDSA-N 1 3 364.555 2.952 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925834300 738534452 /nfs/dbraw/zinc/53/44/52/738534452.db2.gz MQASEHWBWVTJIQ-RCCFBDPRSA-N 1 3 350.528 2.533 20 0 FFADHO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC2CCN(CC3CC3)CC2)cc1 ZINC000658357115 731868737 /nfs/dbraw/zinc/86/87/37/731868737.db2.gz RDNUVDHOGNGHNJ-KRWDZBQOSA-N 1 3 364.555 2.869 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000926133209 738571951 /nfs/dbraw/zinc/57/19/51/738571951.db2.gz AQDPEMBECZKNLM-MLGOLLRUSA-N 1 3 366.893 2.542 20 0 FFADHO FC(F)(F)c1csc([C@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662278903 732292141 /nfs/dbraw/zinc/29/21/41/732292141.db2.gz NQVPJALQFFVRTL-RYUDHWBXSA-N 1 3 361.433 2.862 20 0 FFADHO FC(F)(F)CCCCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337602 732300337 /nfs/dbraw/zinc/30/03/37/732300337.db2.gz LWJUQWVWRAEDNL-AWEZNQCLSA-N 1 3 359.440 2.731 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000877146042 732328359 /nfs/dbraw/zinc/32/83/59/732328359.db2.gz FIFKBWKDZDDLHA-MRXNPFEDSA-N 1 3 364.921 2.910 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000662699138 732347890 /nfs/dbraw/zinc/34/78/90/732347890.db2.gz XTKLLOXEIGDUAH-BPUTZDHNSA-N 1 3 357.420 2.942 20 0 FFADHO COCCN(Cc1cnc(-c2ccncc2)s1)CC1CC[NH+](C)CC1 ZINC000877663839 732408628 /nfs/dbraw/zinc/40/86/28/732408628.db2.gz BQHVNPFSDVXMRT-UHFFFAOYSA-N 1 3 360.527 2.995 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000663620651 732467554 /nfs/dbraw/zinc/46/75/54/732467554.db2.gz PRNRWMRZAXAXRO-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000663620651 732467556 /nfs/dbraw/zinc/46/75/56/732467556.db2.gz PRNRWMRZAXAXRO-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)NC(=O)OC(C)(C)C ZINC000926511204 738623520 /nfs/dbraw/zinc/62/35/20/738623520.db2.gz AKDBYELNJJMMNC-XYTVBORESA-N 1 3 355.523 2.521 20 0 FFADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)NC(=O)OC(C)(C)C ZINC000926511204 738623522 /nfs/dbraw/zinc/62/35/22/738623522.db2.gz AKDBYELNJJMMNC-XYTVBORESA-N 1 3 355.523 2.521 20 0 FFADHO CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665598738 732730592 /nfs/dbraw/zinc/73/05/92/732730592.db2.gz NGLZNBZMBTWOMD-INIZCTEOSA-N 1 3 350.507 2.867 20 0 FFADHO CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665598738 732730596 /nfs/dbraw/zinc/73/05/96/732730596.db2.gz NGLZNBZMBTWOMD-INIZCTEOSA-N 1 3 350.507 2.867 20 0 FFADHO CC(C)[C@H](N)C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000666741287 732891379 /nfs/dbraw/zinc/89/13/79/732891379.db2.gz LUVOBIGDPKNFHW-MRXNPFEDSA-N 1 3 360.527 2.720 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000666857656 732909272 /nfs/dbraw/zinc/90/92/72/732909272.db2.gz CWIUHSGXBWQIHG-JSGCOSHPSA-N 1 3 354.292 2.898 20 0 FFADHO COc1cc(SC)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666899124 732913785 /nfs/dbraw/zinc/91/37/85/732913785.db2.gz PVIXGAWSZPHBPC-AWEZNQCLSA-N 1 3 368.547 2.811 20 0 FFADHO COc1cc(SC)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666899124 732913790 /nfs/dbraw/zinc/91/37/90/732913790.db2.gz PVIXGAWSZPHBPC-AWEZNQCLSA-N 1 3 368.547 2.811 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000667141231 732954721 /nfs/dbraw/zinc/95/47/21/732954721.db2.gz VPQZUNTWBDHGKY-HOCLYGCPSA-N 1 3 356.461 2.564 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000667141231 732954725 /nfs/dbraw/zinc/95/47/25/732954725.db2.gz VPQZUNTWBDHGKY-HOCLYGCPSA-N 1 3 356.461 2.564 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000668644688 733148622 /nfs/dbraw/zinc/14/86/22/733148622.db2.gz HYRMCDWPHVPXCG-DLBZAZTESA-N 1 3 364.559 2.962 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000670128493 733309213 /nfs/dbraw/zinc/30/92/13/733309213.db2.gz VGXNPPPBCMVJNK-QZTJIDSGSA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000670128493 733309218 /nfs/dbraw/zinc/30/92/18/733309218.db2.gz VGXNPPPBCMVJNK-QZTJIDSGSA-N 1 3 364.921 2.726 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884347712 733514914 /nfs/dbraw/zinc/51/49/14/733514914.db2.gz CCGFUMJOCGXHHT-HOTGVXAUSA-N 1 3 366.600 2.833 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884347712 733514917 /nfs/dbraw/zinc/51/49/17/733514917.db2.gz CCGFUMJOCGXHHT-HOTGVXAUSA-N 1 3 366.600 2.833 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccco1 ZINC000673142674 733589557 /nfs/dbraw/zinc/58/95/57/733589557.db2.gz NAMJIMNJZXAYDJ-ULQDDVLXSA-N 1 3 350.507 2.881 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000891894968 734490891 /nfs/dbraw/zinc/49/08/91/734490891.db2.gz YDCMXUILASHPOB-XKQJLSEDSA-N 1 3 352.910 2.759 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000728450409 734528071 /nfs/dbraw/zinc/52/80/71/734528071.db2.gz ZZYCVYKKFIQXNN-UHFFFAOYSA-N 1 3 364.603 2.821 20 0 FFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000892580332 734575860 /nfs/dbraw/zinc/57/58/60/734575860.db2.gz JXCPBAKBXMCUFA-ZWOKBUDYSA-N 1 3 364.555 2.974 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000893564053 734720757 /nfs/dbraw/zinc/72/07/57/734720757.db2.gz MTVVHNCDLYGZPO-NVXWUHKLSA-N 1 3 358.368 2.509 20 0 FFADHO CCCN(C(=S)NCC[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000751024578 735838832 /nfs/dbraw/zinc/83/88/32/735838832.db2.gz RSCNALNOBDGBLS-LJQANCHMSA-N 1 3 362.587 2.799 20 0 FFADHO COC(=O)N1CCC[C@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345677 735935311 /nfs/dbraw/zinc/93/53/11/735935311.db2.gz FUNUUQSPSUVAHT-YOEHRIQHSA-N 1 3 355.429 2.955 20 0 FFADHO [NH3+]CCCC[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1F ZINC000902384569 735940699 /nfs/dbraw/zinc/94/06/99/735940699.db2.gz NDFTVFVMKSXSGC-SUMWQHHRSA-N 1 3 360.470 2.549 20 0 FFADHO N[C@H]1C[C@H]([NH2+]CC2(OCCO)CCC(C(F)F)CC2)c2ccccc21 ZINC000902434161 735946142 /nfs/dbraw/zinc/94/61/42/735946142.db2.gz MGBYQZCHADOWBS-SEXGHCQPSA-N 1 3 354.441 2.924 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903766586 736164361 /nfs/dbraw/zinc/16/43/61/736164361.db2.gz ARQIJFCSLZMLRP-OLMNGRFOSA-N 1 3 350.425 2.847 20 0 FFADHO c1cc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cs1 ZINC000903979985 736198777 /nfs/dbraw/zinc/19/87/77/736198777.db2.gz BBJZGFCTPIUEIW-HDICACEKSA-N 1 3 357.527 2.539 20 0 FFADHO c1cc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cs1 ZINC000903979985 736198779 /nfs/dbraw/zinc/19/87/79/736198779.db2.gz BBJZGFCTPIUEIW-HDICACEKSA-N 1 3 357.527 2.539 20 0 FFADHO c1cc2c(ncnc2N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000923319440 738270882 /nfs/dbraw/zinc/27/08/82/738270882.db2.gz NPBFCKUSAKFLCY-MQVJKMGUSA-N 1 3 357.527 2.734 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(CCc1ccccc1Br)CC2 ZINC000923441014 738284208 /nfs/dbraw/zinc/28/42/08/738284208.db2.gz JMAYSMGMHQEJLC-OAHLLOKOSA-N 1 3 353.304 2.821 20 0 FFADHO C[C@@H]1C[N@H+](CCOc2ccc(F)c(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000930136569 739063925 /nfs/dbraw/zinc/06/39/25/739063925.db2.gz NPNZIRHFEDCWEI-BEFAXECRSA-N 1 3 369.912 2.816 20 0 FFADHO C[C@@H]1C[N@@H+](CCOc2ccc(F)c(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000930136569 739063929 /nfs/dbraw/zinc/06/39/29/739063929.db2.gz NPNZIRHFEDCWEI-BEFAXECRSA-N 1 3 369.912 2.816 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000931432348 739263546 /nfs/dbraw/zinc/26/35/46/739263546.db2.gz NEAQQPICPCQJOI-RDBSUJKOSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000931432348 739263548 /nfs/dbraw/zinc/26/35/48/739263548.db2.gz NEAQQPICPCQJOI-RDBSUJKOSA-N 1 3 359.297 2.617 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000809737927 741338583 /nfs/dbraw/zinc/33/85/83/741338583.db2.gz MJMFRESAQPJOGP-UHFFFAOYSA-N 1 3 361.511 2.752 20 0 FFADHO C[N@H+](C[C@H](O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1)C1CC1 ZINC000809953413 741365751 /nfs/dbraw/zinc/36/57/51/741365751.db2.gz NPJUDCHTWPAAEO-BZSNNMDCSA-N 1 3 352.544 2.871 20 0 FFADHO C[N@@H+](C[C@H](O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1)C1CC1 ZINC000809953413 741365756 /nfs/dbraw/zinc/36/57/56/741365756.db2.gz NPJUDCHTWPAAEO-BZSNNMDCSA-N 1 3 352.544 2.871 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000811706757 741550363 /nfs/dbraw/zinc/55/03/63/741550363.db2.gz ULUVGFWHALHXPW-KRWDZBQOSA-N 1 3 362.587 2.844 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000811706757 741550365 /nfs/dbraw/zinc/55/03/65/741550365.db2.gz ULUVGFWHALHXPW-KRWDZBQOSA-N 1 3 362.587 2.844 20 0 FFADHO CC[C@@H]([NH2+]C[C@@]1(COC)CCCN1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817975456 742225815 /nfs/dbraw/zinc/22/58/15/742225815.db2.gz VAHSGXZNINMJNU-GPMSIDNRSA-N 1 3 355.523 2.523 20 0 FFADHO C[NH+]1CCC(NC[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000818940755 742311322 /nfs/dbraw/zinc/31/13/22/742311322.db2.gz DUQLYVUOCVTXGD-HNNXBMFYSA-N 1 3 361.711 2.994 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1Cl ZINC000819174017 742348219 /nfs/dbraw/zinc/34/82/19/742348219.db2.gz NVHXXAMMPKPGIB-IPMKNSEASA-N 1 3 370.896 2.870 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3ncc(C)s3)CC2)CC[N@@H+]1C ZINC001026497353 742753796 /nfs/dbraw/zinc/75/37/96/742753796.db2.gz VJHLFBBCNKYZEQ-SJJHQCBESA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3ncc(C)s3)CC2)CC[N@H+]1C ZINC001026497353 742753799 /nfs/dbraw/zinc/75/37/99/742753799.db2.gz VJHLFBBCNKYZEQ-SJJHQCBESA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCc2cccs2)CC[N@@H+]1C ZINC001029314480 742809953 /nfs/dbraw/zinc/80/99/53/742809953.db2.gz VKBNGNHBYWOJHR-OGWHTMIXSA-N 1 3 361.555 2.696 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCc2cccs2)CC[N@H+]1C ZINC001029314480 742809964 /nfs/dbraw/zinc/80/99/64/742809964.db2.gz VKBNGNHBYWOJHR-OGWHTMIXSA-N 1 3 361.555 2.696 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3nc(C)cs3)CC2)CC[N@@H+]1C ZINC001034649436 742929605 /nfs/dbraw/zinc/92/96/05/742929605.db2.gz JJNXTLBMSDKNHH-LUKYLMHMSA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3nc(C)cs3)CC2)CC[N@H+]1C ZINC001034649436 742929608 /nfs/dbraw/zinc/92/96/08/742929608.db2.gz JJNXTLBMSDKNHH-LUKYLMHMSA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnc(Cl)s2)CC[N@@H+]1C ZINC001034941261 742937283 /nfs/dbraw/zinc/93/72/83/742937283.db2.gz OKGOBCDNQFWSMF-VHDGCEQUSA-N 1 3 370.950 2.607 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnc(Cl)s2)CC[N@H+]1C ZINC001034941261 742937287 /nfs/dbraw/zinc/93/72/87/742937287.db2.gz OKGOBCDNQFWSMF-VHDGCEQUSA-N 1 3 370.950 2.607 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C/C=C\Cl)C3)CC2)CC[N@@H+]1C ZINC001035188266 742944550 /nfs/dbraw/zinc/94/45/50/742944550.db2.gz XPBLJKSUZBILPE-YCFODECYSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C/C=C\Cl)C3)CC2)CC[N@H+]1C ZINC001035188266 742944555 /nfs/dbraw/zinc/94/45/55/742944555.db2.gz XPBLJKSUZBILPE-YCFODECYSA-N 1 3 353.938 2.784 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000825965640 743350099 /nfs/dbraw/zinc/35/00/99/743350099.db2.gz ZTKIPJILBKIUEM-GDBMZVCRSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000825965640 743350102 /nfs/dbraw/zinc/35/01/02/743350102.db2.gz ZTKIPJILBKIUEM-GDBMZVCRSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827814487 744983254 /nfs/dbraw/zinc/98/32/54/744983254.db2.gz GBVPACKHIVQUHV-GOEBONIOSA-N 1 3 352.910 2.670 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830708928 745412895 /nfs/dbraw/zinc/41/28/95/745412895.db2.gz UTDHIUXGSQNDLK-GDBMZVCRSA-N 1 3 352.910 2.624 20 0 FFADHO CCCCCCO[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000839611777 746871336 /nfs/dbraw/zinc/87/13/36/746871336.db2.gz YKVZHJHORRIVGW-KRWDZBQOSA-N 1 3 353.551 2.647 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(Cl)n1 ZINC000841853032 747476437 /nfs/dbraw/zinc/47/64/37/747476437.db2.gz UKKCIQADMZHJTF-ZMSDIMECSA-N 1 3 364.921 2.672 20 0 FFADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364232 747818636 /nfs/dbraw/zinc/81/86/36/747818636.db2.gz VDYSCCDKFQDOLQ-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc(Cl)n1 ZINC000843506417 747845991 /nfs/dbraw/zinc/84/59/91/747845991.db2.gz CDHPUYSVDZNBCP-IAGOWNOFSA-N 1 3 358.873 2.518 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852838770 749963706 /nfs/dbraw/zinc/96/37/06/749963706.db2.gz OFLIZIGKNHXTGG-DZGCQCFKSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852838770 749963710 /nfs/dbraw/zinc/96/37/10/749963710.db2.gz OFLIZIGKNHXTGG-DZGCQCFKSA-N 1 3 352.910 2.670 20 0 FFADHO CN1CCN(Cc2ccc(CNC(=[NH2+])NC3CCCCCC3)cc2)CC1 ZINC000092277198 970856970 /nfs/dbraw/zinc/85/69/70/970856970.db2.gz KWFKMWJIPCGLBK-UHFFFAOYSA-N 1 3 357.546 2.561 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccncc2Cl)C1 ZINC001104937776 971186134 /nfs/dbraw/zinc/18/61/34/971186134.db2.gz HBEKGOLPYQJBQC-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001104938616 971188919 /nfs/dbraw/zinc/18/89/19/971188919.db2.gz XXQIOYPTDPMNHO-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896734781 971683370 /nfs/dbraw/zinc/68/33/70/971683370.db2.gz GPUJWKNHWKBMIV-PXNSSMCTSA-N 1 3 361.530 2.925 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087992715 971735829 /nfs/dbraw/zinc/73/58/29/971735829.db2.gz IHDQEFWCHNLJIX-HKBOAZHASA-N 1 3 355.526 2.616 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087992715 971735833 /nfs/dbraw/zinc/73/58/33/971735833.db2.gz IHDQEFWCHNLJIX-HKBOAZHASA-N 1 3 355.526 2.616 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001087999293 971776969 /nfs/dbraw/zinc/77/69/69/971776969.db2.gz FECCCURDZCJBMY-QYZOEREBSA-N 1 3 361.555 2.903 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001087999293 971776975 /nfs/dbraw/zinc/77/69/75/971776975.db2.gz FECCCURDZCJBMY-QYZOEREBSA-N 1 3 361.555 2.903 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCc3ccsc3)CC[C@@H]2C1)N(C)C ZINC001088011082 971845717 /nfs/dbraw/zinc/84/57/17/971845717.db2.gz XSGPGSDEKMYVCO-CEXWTWQISA-N 1 3 363.571 2.801 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCc3ccsc3)CC[C@@H]2C1)N(C)C ZINC001088011082 971845722 /nfs/dbraw/zinc/84/57/22/971845722.db2.gz XSGPGSDEKMYVCO-CEXWTWQISA-N 1 3 363.571 2.801 20 0 FFADHO CC[C@H](CNC(=O)NCCC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000652127418 972249487 /nfs/dbraw/zinc/24/94/87/972249487.db2.gz RLIDCQUASNVXER-HXUWFJFHSA-N 1 3 358.530 2.512 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000652128395 972249794 /nfs/dbraw/zinc/24/97/94/972249794.db2.gz ZJMOICJVDMPCTC-HXUWFJFHSA-N 1 3 370.472 2.921 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000654869700 959040634 /nfs/dbraw/zinc/04/06/34/959040634.db2.gz OBLMUDIFOLRGQS-ZVDOUQERSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000654869700 959040651 /nfs/dbraw/zinc/04/06/51/959040651.db2.gz OBLMUDIFOLRGQS-ZVDOUQERSA-N 1 3 373.541 2.514 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](COC)CC(C)(C)C)CC2)CC1 ZINC000655304809 959720827 /nfs/dbraw/zinc/72/08/27/959720827.db2.gz IFEHNFWHIWVJHD-GOSISDBHSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2cccc3cccnc32)C1 ZINC000969703714 959782633 /nfs/dbraw/zinc/78/26/33/959782633.db2.gz IPFXHZBOFQHHHA-JXXFODFXSA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2cccc3cccnc32)C1 ZINC000969703714 959782657 /nfs/dbraw/zinc/78/26/57/959782657.db2.gz IPFXHZBOFQHHHA-JXXFODFXSA-N 1 3 366.509 2.512 20 0 FFADHO Cn1ccnc1C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655718968 961160415 /nfs/dbraw/zinc/16/04/15/961160415.db2.gz RDFQXIFNGWUWQS-SFTDATJTSA-N 1 3 368.525 2.937 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccc(F)c2)CC[N@@H+]1C ZINC001021262590 961343944 /nfs/dbraw/zinc/34/39/44/961343944.db2.gz QRZDVZVXNBFFDO-VGBGELSPSA-N 1 3 359.489 2.778 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccc(F)c2)CC[N@H+]1C ZINC001021262590 961343969 /nfs/dbraw/zinc/34/39/69/961343969.db2.gz QRZDVZVXNBFFDO-VGBGELSPSA-N 1 3 359.489 2.778 20 0 FFADHO Cc1ccc(CC[NH2+]CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001104290802 962324885 /nfs/dbraw/zinc/32/48/85/962324885.db2.gz DZDKXODWVUCCKZ-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001095424488 1013333688 /nfs/dbraw/zinc/33/36/88/1013333688.db2.gz SIYJTGCANOYAFW-CGXNFDGLSA-N 1 3 353.510 2.558 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001087135311 963082003 /nfs/dbraw/zinc/08/20/03/963082003.db2.gz ZUWILPDZEMFHCU-CZAAIQMYSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2cccs2)CC[N@@H+]1C ZINC001095441274 1013396408 /nfs/dbraw/zinc/39/64/08/1013396408.db2.gz ZBWRJBKNYXTWPJ-WRNCNIFXSA-N 1 3 361.555 2.742 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2cccs2)CC[N@H+]1C ZINC001095441274 1013396414 /nfs/dbraw/zinc/39/64/14/1013396414.db2.gz ZBWRJBKNYXTWPJ-WRNCNIFXSA-N 1 3 361.555 2.742 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(C)cc1Cl ZINC001269408539 964130618 /nfs/dbraw/zinc/13/06/18/964130618.db2.gz RHNYUOPQDDYIBU-HYVNUMGLSA-N 1 3 351.922 2.973 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(C)cc1Cl ZINC001269408539 964130624 /nfs/dbraw/zinc/13/06/24/964130624.db2.gz RHNYUOPQDDYIBU-HYVNUMGLSA-N 1 3 351.922 2.973 20 0 FFADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)cc1 ZINC000637856873 964213168 /nfs/dbraw/zinc/21/31/68/964213168.db2.gz IVPQEHFMUUVGQW-CYBMUJFWSA-N 1 3 367.453 2.576 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544633 964458416 /nfs/dbraw/zinc/45/84/16/964458416.db2.gz ZFSLOVNOVUTTGF-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891556994 964481349 /nfs/dbraw/zinc/48/13/49/964481349.db2.gz MWRUWMYABWRTDB-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO CCN1CCN(c2ccc(Nc3cnc4c(c3)C[N@@H+](C)CC4)cc2)CC1 ZINC001175783623 1013559647 /nfs/dbraw/zinc/55/96/47/1013559647.db2.gz PCZFYEWGARCTDA-UHFFFAOYSA-N 1 3 351.498 2.955 20 0 FFADHO CCN1CCN(c2ccc(Nc3cnc4c(c3)C[N@H+](C)CC4)cc2)CC1 ZINC001175783623 1013559657 /nfs/dbraw/zinc/55/96/57/1013559657.db2.gz PCZFYEWGARCTDA-UHFFFAOYSA-N 1 3 351.498 2.955 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnc(C)s1)N(C)C ZINC001087181245 965289492 /nfs/dbraw/zinc/28/94/92/965289492.db2.gz ILILUOVNXHCQIT-UKPHBRMFSA-N 1 3 352.548 2.508 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1scnc1C)N(C)C ZINC001087181390 965291038 /nfs/dbraw/zinc/29/10/38/965291038.db2.gz PBOZLULNTFICCW-VNQPRFMTSA-N 1 3 352.548 2.508 20 0 FFADHO COCCCOc1cc(C)ccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638762827 965772832 /nfs/dbraw/zinc/77/28/32/965772832.db2.gz KXOHDMGFRIOPCV-UHFFFAOYSA-N 1 3 364.530 2.735 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000664902173 965965378 /nfs/dbraw/zinc/96/53/78/965965378.db2.gz NGSJYLWKBNTHAB-QFBILLFUSA-N 1 3 364.534 2.716 20 0 FFADHO COCCOc1cc(C)ccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657392456 966383364 /nfs/dbraw/zinc/38/33/64/966383364.db2.gz SMUWEWDZVKTWHX-UHFFFAOYSA-N 1 3 352.438 2.891 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CC(F)(F)C2)C1 ZINC001087213157 966590917 /nfs/dbraw/zinc/59/09/17/966590917.db2.gz HSDLRJKKVCJGAA-VYDXJSESSA-N 1 3 357.489 2.590 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001087214659 966633283 /nfs/dbraw/zinc/63/32/83/966633283.db2.gz HJDLXPSLYQXRAT-KPFFTGBYSA-N 1 3 361.530 2.752 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1cccc(OC)c1 ZINC000655443137 966771552 /nfs/dbraw/zinc/77/15/52/966771552.db2.gz BJRYGQWTQQTIFE-SBHAEUEKSA-N 1 3 359.514 2.584 20 0 FFADHO CC(=O)Nc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593969 966938784 /nfs/dbraw/zinc/93/87/84/966938784.db2.gz DVWCJFAZLWPXJB-NRFANRHFSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593969 966938791 /nfs/dbraw/zinc/93/87/91/966938791.db2.gz DVWCJFAZLWPXJB-NRFANRHFSA-N 1 3 353.466 2.501 20 0 FFADHO C[NH+](C)CCOc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000685042316 967051062 /nfs/dbraw/zinc/05/10/62/967051062.db2.gz RFAQRWFPVQMGEU-JOCHJYFZSA-N 1 3 354.494 2.941 20 0 FFADHO CCN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCN(C)C1 ZINC000665016667 967251044 /nfs/dbraw/zinc/25/10/44/967251044.db2.gz BBVIPEJQAWUEPM-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCN(C)C1 ZINC000665016667 967251056 /nfs/dbraw/zinc/25/10/56/967251056.db2.gz BBVIPEJQAWUEPM-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112159978 967643822 /nfs/dbraw/zinc/64/38/22/967643822.db2.gz KIMMDPVMTGNXEY-BZUAXINKSA-N 1 3 365.484 2.988 20 0 FFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001075800362 967667399 /nfs/dbraw/zinc/66/73/99/967667399.db2.gz UTJJNYBXUHMOMM-PWRODBHTSA-N 1 3 371.500 2.531 20 0 FFADHO C[C@H]1CC(NCCNC(=O)c2ccncc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011546 967874030 /nfs/dbraw/zinc/87/40/30/967874030.db2.gz PJEDKJFZZDGXEB-ROUUACIJSA-N 1 3 366.509 2.843 20 0 FFADHO C[NH+](C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1)C1CC1 ZINC001211615862 968027480 /nfs/dbraw/zinc/02/74/80/968027480.db2.gz KCKKJQVYMDCPHM-YMUBCVEQSA-N 1 3 361.917 2.663 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc(OC)cc1 ZINC001087577792 968215378 /nfs/dbraw/zinc/21/53/78/968215378.db2.gz JNCMJRMIFIAQBK-GEALJGNFSA-N 1 3 359.514 2.505 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc(OC)cc1 ZINC001087577792 968215388 /nfs/dbraw/zinc/21/53/88/968215388.db2.gz JNCMJRMIFIAQBK-GEALJGNFSA-N 1 3 359.514 2.505 20 0 FFADHO CCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000685455084 968227475 /nfs/dbraw/zinc/22/74/75/968227475.db2.gz ZGEJTIHGXUEIQW-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166133 968249452 /nfs/dbraw/zinc/24/94/52/968249452.db2.gz GGRMPHHOKZPHCZ-ARFHVFGLSA-N 1 3 363.468 2.887 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001087640514 968476954 /nfs/dbraw/zinc/47/69/54/968476954.db2.gz HKTKMAGFXOZLQL-CEXWTWQISA-N 1 3 363.546 2.543 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC[C@H]1CCCCO1 ZINC001087640514 968476960 /nfs/dbraw/zinc/47/69/60/968476960.db2.gz HKTKMAGFXOZLQL-CEXWTWQISA-N 1 3 363.546 2.543 20 0 FFADHO COc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1O ZINC000658135366 968540380 /nfs/dbraw/zinc/54/03/80/968540380.db2.gz DJTDAEIJRJMTRD-DNVCBOLYSA-N 1 3 356.466 2.818 20 0 FFADHO COc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1O ZINC000658135366 968540391 /nfs/dbraw/zinc/54/03/91/968540391.db2.gz DJTDAEIJRJMTRD-DNVCBOLYSA-N 1 3 356.466 2.818 20 0 FFADHO Cc1nc(CNC[C@]23CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C3)cs1 ZINC001112519326 968618086 /nfs/dbraw/zinc/61/80/86/968618086.db2.gz FJQAKPKXHHXJBX-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO O=C1N(CCNC2CC[NH+](CCc3ccccc3)CC2)C[C@@H]2CCCCN12 ZINC000658308047 968630728 /nfs/dbraw/zinc/63/07/28/968630728.db2.gz JUMIVXKBHXIBSH-NRFANRHFSA-N 1 3 370.541 2.573 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1cccnc1C ZINC001087699950 968655600 /nfs/dbraw/zinc/65/56/00/968655600.db2.gz TZBJVXUPVGAGNW-LWCVALJOSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1cccnc1C ZINC001087699950 968655603 /nfs/dbraw/zinc/65/56/03/968655603.db2.gz TZBJVXUPVGAGNW-LWCVALJOSA-N 1 3 358.530 2.589 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000892433134 968665833 /nfs/dbraw/zinc/66/58/33/968665833.db2.gz YXDVHBAMGTWMEF-VQTJNVASSA-N 1 3 362.562 2.909 20 0 FFADHO CCN(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000892438978 968761639 /nfs/dbraw/zinc/76/16/39/968761639.db2.gz KDROYTYDOGMLCC-IHPCNDPISA-N 1 3 358.530 2.810 20 0 FFADHO [NH2+]=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)NC1CC1 ZINC000066243023 969301708 /nfs/dbraw/zinc/30/17/08/969301708.db2.gz ZGKMUWLQCGMUEY-UHFFFAOYSA-N 1 3 363.509 2.576 20 0 FFADHO CCCN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000892577474 969510574 /nfs/dbraw/zinc/51/05/74/969510574.db2.gz JGUUUUZTMUZDRH-UFYCRDLUSA-N 1 3 358.530 2.810 20 0 FFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658957564 969570502 /nfs/dbraw/zinc/57/05/02/969570502.db2.gz NFLICYRILYAHHF-LEWJYISDSA-N 1 3 355.526 2.889 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659032504 969647510 /nfs/dbraw/zinc/64/75/10/969647510.db2.gz QXCGUTWMAUDHQU-FQEVSTJZSA-N 1 3 374.529 2.981 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659036646 969649337 /nfs/dbraw/zinc/64/93/37/969649337.db2.gz SADSVEMYUBPRMQ-APWZRJJASA-N 1 3 360.502 2.543 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659036646 969649338 /nfs/dbraw/zinc/64/93/38/969649338.db2.gz SADSVEMYUBPRMQ-APWZRJJASA-N 1 3 360.502 2.543 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)[C@H](C)C1 ZINC000659040084 969654197 /nfs/dbraw/zinc/65/41/97/969654197.db2.gz MMZCZENQDMHTOZ-MNEFBYGVSA-N 1 3 360.502 2.542 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)[C@H](C)C1 ZINC000659040084 969654198 /nfs/dbraw/zinc/65/41/98/969654198.db2.gz MMZCZENQDMHTOZ-MNEFBYGVSA-N 1 3 360.502 2.542 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659042034 969662960 /nfs/dbraw/zinc/66/29/60/969662960.db2.gz RTJLGGMCEGJXGA-CRAIPNDOSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659042034 969662965 /nfs/dbraw/zinc/66/29/65/969662965.db2.gz RTJLGGMCEGJXGA-CRAIPNDOSA-N 1 3 360.502 2.589 20 0 FFADHO Cc1cc(NC(=O)C[C@@H]2NCc3ccccc32)n(C2CC[NH+](C)CC2)n1 ZINC000659286075 969798447 /nfs/dbraw/zinc/79/84/47/969798447.db2.gz XXJIYUWMGPMBDJ-SFHVURJKSA-N 1 3 353.470 2.631 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC[C@H]21 ZINC000874976271 1013939429 /nfs/dbraw/zinc/93/94/29/1013939429.db2.gz QWVJQSGRAPHNTD-VAMGGRTRSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC[C@H]21 ZINC000874976271 1013939432 /nfs/dbraw/zinc/93/94/32/1013939432.db2.gz QWVJQSGRAPHNTD-VAMGGRTRSA-N 1 3 356.514 2.559 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC000874988725 1013941074 /nfs/dbraw/zinc/94/10/74/1013941074.db2.gz CANAIERWGPWXEP-LJQANCHMSA-N 1 3 358.530 2.807 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(Cl)c2)C1)N(C)C ZINC001104690306 970110269 /nfs/dbraw/zinc/11/02/69/970110269.db2.gz CWGAHYKGNANILX-OIISXLGYSA-N 1 3 366.937 2.649 20 0 FFADHO CCn1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c(-c2ccccc2)n1 ZINC000895459492 970638519 /nfs/dbraw/zinc/63/85/19/970638519.db2.gz ACMPYDMPJYYQJS-UHFFFAOYSA-N 1 3 367.541 2.782 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875407723 1014024140 /nfs/dbraw/zinc/02/41/40/1014024140.db2.gz KQFLWYQLRXOWHN-QGZVFWFLSA-N 1 3 373.545 2.733 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875407723 1014024142 /nfs/dbraw/zinc/02/41/42/1014024142.db2.gz KQFLWYQLRXOWHN-QGZVFWFLSA-N 1 3 373.545 2.733 20 0 FFADHO CCc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@@H]3C2)cc1 ZINC001088109714 972842011 /nfs/dbraw/zinc/84/20/11/972842011.db2.gz UKMBGKJVCXYHQD-HKBOAZHASA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@@H]3C2)cc1 ZINC001088109714 972842025 /nfs/dbraw/zinc/84/20/25/972842025.db2.gz UKMBGKJVCXYHQD-HKBOAZHASA-N 1 3 357.542 2.870 20 0 FFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121246 972916320 /nfs/dbraw/zinc/91/63/20/972916320.db2.gz VZJMTITWDCKZLD-KSZLIROESA-N 1 3 352.482 2.802 20 0 FFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121246 972916329 /nfs/dbraw/zinc/91/63/29/972916329.db2.gz VZJMTITWDCKZLD-KSZLIROESA-N 1 3 352.482 2.802 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088121291 972916689 /nfs/dbraw/zinc/91/66/89/972916689.db2.gz YGDDTRZSOSITFR-MOPGFXCFSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088121291 972916693 /nfs/dbraw/zinc/91/66/93/972916693.db2.gz YGDDTRZSOSITFR-MOPGFXCFSA-N 1 3 352.482 2.550 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001088129419 972974216 /nfs/dbraw/zinc/97/42/16/972974216.db2.gz MYGXJFZSGFKMHR-TYPHKJRUSA-N 1 3 370.541 2.626 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088129747 972975810 /nfs/dbraw/zinc/97/58/10/972975810.db2.gz DCGCBQQDCZNPMX-BOCVPUPXSA-N 1 3 353.938 2.782 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088129747 972975814 /nfs/dbraw/zinc/97/58/14/972975814.db2.gz DCGCBQQDCZNPMX-BOCVPUPXSA-N 1 3 353.938 2.782 20 0 FFADHO CC(=O)N1CCC2(C[NH+](C3C[C@@H](C)N(Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001168054510 973026656 /nfs/dbraw/zinc/02/66/56/973026656.db2.gz SQGRCAFOZZOHFR-QZTJIDSGSA-N 1 3 355.526 2.982 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(Cl)cc4)C[C@H]3C2)C1 ZINC001088199809 973622928 /nfs/dbraw/zinc/62/29/28/973622928.db2.gz CYCIPXJTVQOSJI-KURKYZTESA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(Cl)cc4)C[C@H]3C2)C1 ZINC001088199809 973622937 /nfs/dbraw/zinc/62/29/37/973622937.db2.gz CYCIPXJTVQOSJI-KURKYZTESA-N 1 3 361.917 2.572 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211537 973667403 /nfs/dbraw/zinc/66/74/03/973667403.db2.gz OXSRJHKZBXUQNC-UXHICEINSA-N 1 3 370.541 2.546 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC001088212573 973680261 /nfs/dbraw/zinc/68/02/61/973680261.db2.gz ADGUSEWCTGKKCS-CEXWTWQISA-N 1 3 361.555 2.903 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC001088212573 973680268 /nfs/dbraw/zinc/68/02/68/973680268.db2.gz ADGUSEWCTGKKCS-CEXWTWQISA-N 1 3 361.555 2.903 20 0 FFADHO [NH3+]C1(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCCC1 ZINC000662865605 974401629 /nfs/dbraw/zinc/40/16/29/974401629.db2.gz XUWCQQVYPBLTNJ-SFHVURJKSA-N 1 3 369.431 2.829 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)c(F)c1 ZINC000652281542 974767112 /nfs/dbraw/zinc/76/71/12/974767112.db2.gz COHXOHRGTDTELF-UHFFFAOYSA-N 1 3 370.472 2.702 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000661856049 974878333 /nfs/dbraw/zinc/87/83/33/974878333.db2.gz DJGPDDPYUXALAC-QUCCMNQESA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000661856049 974878336 /nfs/dbraw/zinc/87/83/36/974878336.db2.gz DJGPDDPYUXALAC-QUCCMNQESA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675693 974980048 /nfs/dbraw/zinc/98/00/48/974980048.db2.gz WYELFYPVSCKXOR-HLAWJBBLSA-N 1 3 357.542 2.959 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000125886587 1014237363 /nfs/dbraw/zinc/23/73/63/1014237363.db2.gz JEYBIOUCPZJROP-NNWRFLSQSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000125886587 1014237373 /nfs/dbraw/zinc/23/73/73/1014237373.db2.gz JEYBIOUCPZJROP-NNWRFLSQSA-N 1 3 359.558 2.986 20 0 FFADHO c1cc(C2CCN(CCOCC[NH+]3CCC(c4ccon4)CC3)CC2)no1 ZINC000662047566 975126746 /nfs/dbraw/zinc/12/67/46/975126746.db2.gz FLOQHWSQOXXHLB-UHFFFAOYSA-N 1 3 374.485 2.738 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295574 975409491 /nfs/dbraw/zinc/40/94/91/975409491.db2.gz GWUWNQFYUDDEAE-PKOBYXMFSA-N 1 3 373.541 2.926 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc2c1CNC2 ZINC000662505563 975660626 /nfs/dbraw/zinc/66/06/26/975660626.db2.gz WOHAMRFHRPXFHD-UHFFFAOYSA-N 1 3 359.420 2.772 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001027893094 975741967 /nfs/dbraw/zinc/74/19/67/975741967.db2.gz MLIRMQQLNNEWLQ-SVFBPWRDSA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001027893094 975741969 /nfs/dbraw/zinc/74/19/69/975741969.db2.gz MLIRMQQLNNEWLQ-SVFBPWRDSA-N 1 3 368.525 2.979 20 0 FFADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000662683023 975830119 /nfs/dbraw/zinc/83/01/19/975830119.db2.gz MJUDWKQJMAZJIE-OAQYLSRUSA-N 1 3 365.477 2.816 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)CN1Cc1ccccc1 ZINC000893621048 976048364 /nfs/dbraw/zinc/04/83/64/976048364.db2.gz IWXLMFKLCHCCAD-LAUBAEHRSA-N 1 3 370.541 2.966 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667340431 976136657 /nfs/dbraw/zinc/13/66/57/976136657.db2.gz OBXAZVGSXHATDO-UHFFFAOYSA-N 1 3 372.557 2.882 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)CC[N@@H+]1C ZINC000981200659 976340174 /nfs/dbraw/zinc/34/01/74/976340174.db2.gz XUDYECPOSPDCFV-PWRODBHTSA-N 1 3 355.526 2.939 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)CC[N@H+]1C ZINC000981200659 976340188 /nfs/dbraw/zinc/34/01/88/976340188.db2.gz XUDYECPOSPDCFV-PWRODBHTSA-N 1 3 355.526 2.939 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)C[N@@H+]1Cc1ccccc1 ZINC000667799278 977053187 /nfs/dbraw/zinc/05/31/87/977053187.db2.gz QZKXOCDZPSETOP-DNVCBOLYSA-N 1 3 365.481 2.512 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)C[N@H+]1Cc1ccccc1 ZINC000667799278 977053197 /nfs/dbraw/zinc/05/31/97/977053197.db2.gz QZKXOCDZPSETOP-DNVCBOLYSA-N 1 3 365.481 2.512 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cccnc2)C1 ZINC001211730311 977518771 /nfs/dbraw/zinc/51/87/71/977518771.db2.gz VKILRYDHTQLGNQ-LEWJYISDSA-N 1 3 366.509 2.506 20 0 FFADHO Cc1ccnc(N)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000894076307 977655480 /nfs/dbraw/zinc/65/54/80/977655480.db2.gz QOQKGPXXOQGQIE-UHFFFAOYSA-N 1 3 359.562 2.600 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152232936 977806117 /nfs/dbraw/zinc/80/61/17/977806117.db2.gz PCXAVAVPRFPMLF-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000663982973 977821901 /nfs/dbraw/zinc/82/19/01/977821901.db2.gz AQGRHJIVGQUKJB-INIZCTEOSA-N 1 3 364.509 2.776 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000663982973 977821909 /nfs/dbraw/zinc/82/19/09/977821909.db2.gz AQGRHJIVGQUKJB-INIZCTEOSA-N 1 3 364.509 2.776 20 0 FFADHO c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CN4CCC[C@@H]4CO3)CCN2C2CC2)cc1 ZINC000877022253 1014452225 /nfs/dbraw/zinc/45/22/25/1014452225.db2.gz RPCLBYCGWZKUOM-YJMBLLCNSA-N 1 3 355.526 2.807 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c1 ZINC001076242360 979274433 /nfs/dbraw/zinc/27/44/33/979274433.db2.gz BFCLYAIHGGDTMA-ORYQWCPZSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c1 ZINC001076242360 979274438 /nfs/dbraw/zinc/27/44/38/979274438.db2.gz BFCLYAIHGGDTMA-ORYQWCPZSA-N 1 3 355.526 2.678 20 0 FFADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000904320265 980242242 /nfs/dbraw/zinc/24/22/42/980242242.db2.gz FZGRAGCYTDQSFU-FXAWDEMLSA-N 1 3 374.554 2.623 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])c2)CC1 ZINC000904421558 980275862 /nfs/dbraw/zinc/27/58/62/980275862.db2.gz JMKHHTHYTJJISI-UTKZUKDTSA-N 1 3 371.529 2.564 20 0 FFADHO O[C@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000905206376 980401389 /nfs/dbraw/zinc/40/13/89/980401389.db2.gz CRJYNCSDONMQFP-LNRXMEIDSA-N 1 3 372.553 2.933 20 0 FFADHO O=C(NC[C@@H]1CCN1Cc1ccccc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000666213820 980489648 /nfs/dbraw/zinc/48/96/48/980489648.db2.gz MQVONBNLEKYDAP-IBGZPJMESA-N 1 3 362.437 2.663 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2cc(F)ccc2F)CC[N@@H+]1C ZINC001482834870 981559249 /nfs/dbraw/zinc/55/92/49/981559249.db2.gz RIPKJKYHNIDVTF-QANKJYHBSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2cc(F)ccc2F)CC[N@H+]1C ZINC001482834870 981559254 /nfs/dbraw/zinc/55/92/54/981559254.db2.gz RIPKJKYHNIDVTF-QANKJYHBSA-N 1 3 353.457 2.680 20 0 FFADHO C[NH+](C)C1CCC(N2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 ZINC001168327854 982931550 /nfs/dbraw/zinc/93/15/50/982931550.db2.gz RLUPULWDGGEIJS-GUMHCPJTSA-N 1 3 369.509 2.509 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088702805 983018235 /nfs/dbraw/zinc/01/82/35/983018235.db2.gz KHTLAORKUAORRS-APWZRJJASA-N 1 3 366.509 2.875 20 0 FFADHO C[C@@H]1CN(Cc2cn3ccc(Br)cc3n2)CCC[C@H]1C[NH3+] ZINC001206014022 1032107018 /nfs/dbraw/zinc/10/70/18/1032107018.db2.gz VDXMKTQOYNIOBZ-OLZOCXBDSA-N 1 3 351.292 2.904 20 0 FFADHO C[C@@H](NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1c(F)cccc1F ZINC000996602306 984422169 /nfs/dbraw/zinc/42/21/69/984422169.db2.gz HEFUREIMJBCMQJ-IIAWOOMASA-N 1 3 365.468 2.947 20 0 FFADHO C[C@@H](NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1c(F)cccc1F ZINC000996602306 984422170 /nfs/dbraw/zinc/42/21/70/984422170.db2.gz HEFUREIMJBCMQJ-IIAWOOMASA-N 1 3 365.468 2.947 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436845 984537785 /nfs/dbraw/zinc/53/77/85/984537785.db2.gz UJPDCRJMGOLQOP-UYAOXDASSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436845 984537788 /nfs/dbraw/zinc/53/77/88/984537788.db2.gz UJPDCRJMGOLQOP-UYAOXDASSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2)[NH+](C)C ZINC001107444436 984545628 /nfs/dbraw/zinc/54/56/28/984545628.db2.gz IFNMWJJVPWLTKQ-ZIFCJYIRSA-N 1 3 364.559 2.590 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2)[C@H](C1CC1)[NH+]1CCCC1 ZINC001107485318 984589126 /nfs/dbraw/zinc/58/91/26/984589126.db2.gz UFAXOQJBWHPPIF-RVLDEYLDSA-N 1 3 365.949 2.974 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552481 984681575 /nfs/dbraw/zinc/68/15/75/984681575.db2.gz OIQUVLCKEWAPPC-WIYYLYMNSA-N 1 3 367.578 2.752 20 0 FFADHO CCOCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552481 984681578 /nfs/dbraw/zinc/68/15/78/984681578.db2.gz OIQUVLCKEWAPPC-WIYYLYMNSA-N 1 3 367.578 2.752 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1C)CC2 ZINC001107615168 984822717 /nfs/dbraw/zinc/82/27/17/984822717.db2.gz UMJQEZQZNJNNKN-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1C)CC2 ZINC001107615168 984822739 /nfs/dbraw/zinc/82/27/39/984822739.db2.gz UMJQEZQZNJNNKN-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cccs1)CC2 ZINC001107617892 984842851 /nfs/dbraw/zinc/84/28/51/984842851.db2.gz UOKUPDDTQYERND-UYAOXDASSA-N 1 3 363.571 2.993 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1cccs1)CC2 ZINC001107617892 984842873 /nfs/dbraw/zinc/84/28/73/984842873.db2.gz UOKUPDDTQYERND-UYAOXDASSA-N 1 3 363.571 2.993 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000669587715 984877565 /nfs/dbraw/zinc/87/75/65/984877565.db2.gz PHBBVTLNOVEUMV-JRGCBEDISA-N 1 3 366.509 2.643 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646145 984936962 /nfs/dbraw/zinc/93/69/62/984936962.db2.gz FBDDINCSWWFQML-UYAOXDASSA-N 1 3 353.551 2.504 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646145 984936973 /nfs/dbraw/zinc/93/69/73/984936973.db2.gz FBDDINCSWWFQML-UYAOXDASSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1C)N1CCCCCC1 ZINC001088897631 985364448 /nfs/dbraw/zinc/36/44/48/985364448.db2.gz QWUGZUHUFTYRDG-INMHGKMJSA-N 1 3 357.489 2.875 20 0 FFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H]1C)N1CCCCCC1 ZINC001088897631 985364455 /nfs/dbraw/zinc/36/44/55/985364455.db2.gz QWUGZUHUFTYRDG-INMHGKMJSA-N 1 3 357.489 2.875 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc2ccccc2c1 ZINC001089038736 986054631 /nfs/dbraw/zinc/05/46/31/986054631.db2.gz JKBDUYSIRXGFRN-CZAAIQMYSA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2ccccc2c1 ZINC001089038736 986054642 /nfs/dbraw/zinc/05/46/42/986054642.db2.gz JKBDUYSIRXGFRN-CZAAIQMYSA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CC[C@H]1CCCO1 ZINC001089060418 986143876 /nfs/dbraw/zinc/14/38/76/986143876.db2.gz KYVSNFGQWFKRAS-POAQFYNOSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CC[C@H]1CCCO1 ZINC001089060418 986143878 /nfs/dbraw/zinc/14/38/78/986143878.db2.gz KYVSNFGQWFKRAS-POAQFYNOSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCCc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001007377538 1015212240 /nfs/dbraw/zinc/21/22/40/1015212240.db2.gz WIDLFXMKEORUOT-LSTHTHJFSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCCc3cccc(F)c3)C2)CC[N@H+]1C ZINC001007377538 1015212252 /nfs/dbraw/zinc/21/22/52/1015212252.db2.gz WIDLFXMKEORUOT-LSTHTHJFSA-N 1 3 361.505 2.679 20 0 FFADHO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CCN2CCC1CC2 ZINC000672874393 987635994 /nfs/dbraw/zinc/63/59/94/987635994.db2.gz XNCYACPVOCXZEA-FQEVSTJZSA-N 1 3 356.514 2.703 20 0 FFADHO CN1CCCC[C@H]1c1ccc(-n2nc(-c3ccccc3)nc2CC[NH3+])nc1 ZINC001168707408 987946638 /nfs/dbraw/zinc/94/66/38/987946638.db2.gz GXMCCFQHAMBXHC-SFHVURJKSA-N 1 3 362.481 2.987 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2c(C)nsc2C)[C@H](C)C1 ZINC001106339779 987981964 /nfs/dbraw/zinc/98/19/64/987981964.db2.gz ADNRGCWPVONYEK-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO c1cn(Cc2ccccc2)c(CNCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657535384 988279892 /nfs/dbraw/zinc/27/98/92/988279892.db2.gz MQTMGIUMYDJELS-UHFFFAOYSA-N 1 3 368.525 2.912 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106517310 988324098 /nfs/dbraw/zinc/32/40/98/988324098.db2.gz ZNCAWCQYMCRKRT-RNRBBCFGSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1nc2ccccc2o1 ZINC001106626981 988531086 /nfs/dbraw/zinc/53/10/86/988531086.db2.gz QGNXHZSNZOPJGE-OWCLPIDISA-N 1 3 358.486 2.525 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3OC)C2)[C@@H]1C(C)C ZINC000922394122 988555284 /nfs/dbraw/zinc/55/52/84/988555284.db2.gz VDQMBKKTDOYUNV-QCFAMHMHSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3OC)C2)[C@@H]1C(C)C ZINC000922394122 988555292 /nfs/dbraw/zinc/55/52/92/988555292.db2.gz VDQMBKKTDOYUNV-QCFAMHMHSA-N 1 3 362.514 2.663 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](CNCc2csc(C)n2)[C@H](C)C1)[NH+](CC)CC ZINC001106660507 988604005 /nfs/dbraw/zinc/60/40/05/988604005.db2.gz PPZNFNQYSBFYNW-QGPMSJSTSA-N 1 3 366.575 2.756 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)sn1 ZINC001106673042 988623131 /nfs/dbraw/zinc/62/31/31/988623131.db2.gz PSFOCVSJBVJAIG-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCOC3CCCCCC3)C2)CC[N@@H+]1C ZINC001033092749 988776072 /nfs/dbraw/zinc/77/60/72/988776072.db2.gz UXEFQRDGKRHRET-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCOC3CCCCCC3)C2)CC[N@H+]1C ZINC001033092749 988776077 /nfs/dbraw/zinc/77/60/77/988776077.db2.gz UXEFQRDGKRHRET-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193729524 988870131 /nfs/dbraw/zinc/87/01/31/988870131.db2.gz VYSVXEPKQCBQPE-OAQYLSRUSA-N 1 3 370.541 2.825 20 0 FFADHO COc1cccc(CNC(=O)[C@@H](C)N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000879248381 1015437238 /nfs/dbraw/zinc/43/72/38/1015437238.db2.gz LZZCOEAATPNMDC-QGZVFWFLSA-N 1 3 359.514 2.508 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOCCCC)[C@H](C)C1 ZINC001106775514 989019475 /nfs/dbraw/zinc/01/94/75/989019475.db2.gz MKMXLYYZIWRBEU-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC001106779437 989026465 /nfs/dbraw/zinc/02/64/65/989026465.db2.gz OIJVGXPIANVKNS-NVXWUHKLSA-N 1 3 367.484 2.533 20 0 FFADHO CN(C)C1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000763184588 989182481 /nfs/dbraw/zinc/18/24/81/989182481.db2.gz MQJLRCUCZALQPF-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CN(C)C1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000763184588 989182486 /nfs/dbraw/zinc/18/24/86/989182486.db2.gz MQJLRCUCZALQPF-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000673877074 989348847 /nfs/dbraw/zinc/34/88/47/989348847.db2.gz YMQXSXFXRVWFBH-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000673877074 989348856 /nfs/dbraw/zinc/34/88/56/989348856.db2.gz YMQXSXFXRVWFBH-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)N(C)C)cc1 ZINC000652119738 1015469527 /nfs/dbraw/zinc/46/95/27/1015469527.db2.gz WYOSLIRQCTUDSL-ZJOUEHCJSA-N 1 3 358.530 2.622 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000652141623 1015475973 /nfs/dbraw/zinc/47/59/73/1015475973.db2.gz VLFWNXJPQKWXSW-HXUWFJFHSA-N 1 3 354.498 2.817 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000652191396 1015493641 /nfs/dbraw/zinc/49/36/41/1015493641.db2.gz SZKAEDOZGBSUNK-UZLBHIALSA-N 1 3 354.498 2.897 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000652191395 1015494028 /nfs/dbraw/zinc/49/40/28/1015494028.db2.gz SZKAEDOZGBSUNK-OXQOHEQNSA-N 1 3 354.498 2.897 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC000916194902 989756875 /nfs/dbraw/zinc/75/68/75/989756875.db2.gz FGABYBMZYHNJPS-UHFFFAOYSA-N 1 3 374.573 2.924 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CN1C1CC1 ZINC000674707656 989890021 /nfs/dbraw/zinc/89/00/21/989890021.db2.gz NNWRSHHRMCOLAT-MJGOQNOKSA-N 1 3 362.562 2.909 20 0 FFADHO COC(=O)C1(C)CCC([NH2+]Cc2ccccc2CN2CCN(C)CC2)CC1 ZINC001168754081 990001993 /nfs/dbraw/zinc/00/19/93/990001993.db2.gz GXPKQJXEPDWVDR-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000675197533 990106244 /nfs/dbraw/zinc/10/62/44/990106244.db2.gz ORXMETQKRPBNNX-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc2O1 ZINC000675511487 990296355 /nfs/dbraw/zinc/29/63/55/990296355.db2.gz JOFSHIUHSSARNK-PKOBYXMFSA-N 1 3 371.525 2.997 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2O1 ZINC000675511487 990296363 /nfs/dbraw/zinc/29/63/63/990296363.db2.gz JOFSHIUHSSARNK-PKOBYXMFSA-N 1 3 371.525 2.997 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000675937862 990425164 /nfs/dbraw/zinc/42/51/64/990425164.db2.gz GCEOYDUQOWGDSK-SXLOBPIMSA-N 1 3 365.562 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000675937862 990425166 /nfs/dbraw/zinc/42/51/66/990425166.db2.gz GCEOYDUQOWGDSK-SXLOBPIMSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CN1C1CC1 ZINC000130094913 990470023 /nfs/dbraw/zinc/47/00/23/990470023.db2.gz IXNNLFWXIHBKJN-FHWLQOOXSA-N 1 3 362.562 2.765 20 0 FFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235485 990516109 /nfs/dbraw/zinc/51/61/09/990516109.db2.gz IUHXLGXYQLOFJN-QUCCMNQESA-N 1 3 371.525 2.566 20 0 FFADHO N[C@@H](CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1ccccc1 ZINC000237906159 991384270 /nfs/dbraw/zinc/38/42/70/991384270.db2.gz XFTDFTWWEGXMQS-IBGZPJMESA-N 1 3 367.449 2.624 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC001106910640 991524813 /nfs/dbraw/zinc/52/48/13/991524813.db2.gz HWGBOJYZUMHORS-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1)[NH+](C)C ZINC001079158163 991861277 /nfs/dbraw/zinc/86/12/77/991861277.db2.gz VTXIDVPNQOCEGL-IPMKNSEASA-N 1 3 367.484 2.656 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079159255 991862932 /nfs/dbraw/zinc/86/29/32/991862932.db2.gz RVTLENDMPPJDHO-FFZOFVMBSA-N 1 3 361.505 2.993 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198865 991873887 /nfs/dbraw/zinc/87/38/87/991873887.db2.gz WEVSFNBUWLJMAU-LSTHTHJFSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)CCOc2cccc(C)c2)CC[N@@H+]1C ZINC001485305784 991901258 /nfs/dbraw/zinc/90/12/58/991901258.db2.gz GUCASJPXTKYCQW-YZGWKJHDSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)CCOc2cccc(C)c2)CC[N@H+]1C ZINC001485305784 991901269 /nfs/dbraw/zinc/90/12/69/991901269.db2.gz GUCASJPXTKYCQW-YZGWKJHDSA-N 1 3 361.530 2.541 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1F ZINC001079299046 991988595 /nfs/dbraw/zinc/98/85/95/991988595.db2.gz UHJQEXWJJOIVOQ-PKOBYXMFSA-N 1 3 361.505 2.850 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)ccc1OC ZINC000182440104 992048127 /nfs/dbraw/zinc/04/81/27/992048127.db2.gz YRHDCRMDIJUXSK-ZWKOTPCHSA-N 1 3 363.546 2.908 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000383735311 992282675 /nfs/dbraw/zinc/28/26/75/992282675.db2.gz QCMNQHBHASPRFM-KNQAVFIVSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000383735311 992282683 /nfs/dbraw/zinc/28/26/83/992282683.db2.gz QCMNQHBHASPRFM-KNQAVFIVSA-N 1 3 363.505 2.902 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414929538 992774452 /nfs/dbraw/zinc/77/44/52/992774452.db2.gz RSUKYOCOFHWOBQ-XUWXXGDYSA-N 1 3 358.486 2.612 20 0 FFADHO CO[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1)C1CCCC1 ZINC001080254837 992891921 /nfs/dbraw/zinc/89/19/21/992891921.db2.gz IDIBKSGMTNUXJH-QRQLOZEOSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1)C1CCCC1 ZINC001080254837 992891924 /nfs/dbraw/zinc/89/19/24/992891924.db2.gz IDIBKSGMTNUXJH-QRQLOZEOSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H]1CN(CCC(=O)N2CCc3ccccc3C2)CCN1c1cc[nH+]cc1 ZINC000880261593 1015792758 /nfs/dbraw/zinc/79/27/58/1015792758.db2.gz XFFNDYWWGCPVQT-SFHVURJKSA-N 1 3 364.493 2.567 20 0 FFADHO CO[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)[C@H]1CCCN1CC(C)C ZINC001081885068 994005673 /nfs/dbraw/zinc/00/56/73/994005673.db2.gz YQXBSPOYYMUBIK-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)[C@H]1CCCN1CC(C)C ZINC001081885068 994005683 /nfs/dbraw/zinc/00/56/83/994005683.db2.gz YQXBSPOYYMUBIK-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001131562536 994398509 /nfs/dbraw/zinc/39/85/09/994398509.db2.gz XVEDQWDVVUQILX-DSKINZAPSA-N 1 3 365.562 2.647 20 0 FFADHO O=C(OCc1ccccc1)N1CCC(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000809578812 994543390 /nfs/dbraw/zinc/54/33/90/994543390.db2.gz QSGSQMCDGMNTTL-VQTJNVASSA-N 1 3 357.498 2.719 20 0 FFADHO O=C(OCc1ccccc1)N1CCC(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000809578812 994543397 /nfs/dbraw/zinc/54/33/97/994543397.db2.gz QSGSQMCDGMNTTL-VQTJNVASSA-N 1 3 357.498 2.719 20 0 FFADHO CC(C)Oc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001082447783 994653067 /nfs/dbraw/zinc/65/30/67/994653067.db2.gz PVMFBTZPUWLILW-QRQLOZEOSA-N 1 3 359.514 2.505 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1NCc1ccccn1 ZINC001082513303 994785582 /nfs/dbraw/zinc/78/55/82/994785582.db2.gz IHPHZSVYPNAOKG-DBXWQHBBSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1NCc1ccccn1 ZINC001082513303 994785593 /nfs/dbraw/zinc/78/55/93/994785593.db2.gz IHPHZSVYPNAOKG-DBXWQHBBSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810678828 994876029 /nfs/dbraw/zinc/87/60/29/994876029.db2.gz DPNXCAZGNVEBLT-HGHGUNKESA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810678828 994876034 /nfs/dbraw/zinc/87/60/34/994876034.db2.gz DPNXCAZGNVEBLT-HGHGUNKESA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000727469222 995832395 /nfs/dbraw/zinc/83/23/95/995832395.db2.gz YVVFROUUEDIRLV-KURKYZTESA-N 1 3 369.550 2.865 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001082941952 995877489 /nfs/dbraw/zinc/87/74/89/995877489.db2.gz VTQLREXBDQBORC-OIISXLGYSA-N 1 3 364.921 2.546 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001082943400 995881630 /nfs/dbraw/zinc/88/16/30/995881630.db2.gz HEIMVRALYFVNIQ-HBGVWJBISA-N 1 3 371.525 2.528 20 0 FFADHO COc1ccc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001049480075 1016003740 /nfs/dbraw/zinc/00/37/40/1016003740.db2.gz CVFIVYMQFFDXGN-QYRPDUKASA-N 1 3 371.525 2.601 20 0 FFADHO COc1ccc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001049480075 1016003751 /nfs/dbraw/zinc/00/37/51/1016003751.db2.gz CVFIVYMQFFDXGN-QYRPDUKASA-N 1 3 371.525 2.601 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2cccc(F)c2)CC[N@@H+]1C ZINC001049482305 1016008144 /nfs/dbraw/zinc/00/81/44/1016008144.db2.gz MEWIBEFCYATZPC-GEALJGNFSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2cccc(F)c2)CC[N@H+]1C ZINC001049482305 1016008153 /nfs/dbraw/zinc/00/81/53/1016008153.db2.gz MEWIBEFCYATZPC-GEALJGNFSA-N 1 3 359.489 2.731 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084388015 996529690 /nfs/dbraw/zinc/52/96/90/996529690.db2.gz AEEIVKQHJNBMMW-QHAWAJNXSA-N 1 3 355.526 2.636 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084388015 996529695 /nfs/dbraw/zinc/52/96/95/996529695.db2.gz AEEIVKQHJNBMMW-QHAWAJNXSA-N 1 3 355.526 2.636 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]21 ZINC001084388015 996529696 /nfs/dbraw/zinc/52/96/96/996529696.db2.gz AEEIVKQHJNBMMW-QHAWAJNXSA-N 1 3 355.526 2.636 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001084388015 996529702 /nfs/dbraw/zinc/52/97/02/996529702.db2.gz AEEIVKQHJNBMMW-QHAWAJNXSA-N 1 3 355.526 2.636 20 0 FFADHO CC[C@H](CN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1)OC ZINC001084470660 996581847 /nfs/dbraw/zinc/58/18/47/996581847.db2.gz REFPZTZVALTTNX-BHIYHBOVSA-N 1 3 365.562 2.597 20 0 FFADHO CC[C@H](CN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1)OC ZINC001084470660 996581852 /nfs/dbraw/zinc/58/18/52/996581852.db2.gz REFPZTZVALTTNX-BHIYHBOVSA-N 1 3 365.562 2.597 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000677053733 1016089893 /nfs/dbraw/zinc/08/98/93/1016089893.db2.gz KOEICMRCJFZJFM-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000677053733 1016089898 /nfs/dbraw/zinc/08/98/98/1016089898.db2.gz KOEICMRCJFZJFM-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc5c(c4)CCC5)C[C@H]32)C1 ZINC001084773565 997297999 /nfs/dbraw/zinc/29/79/99/997297999.db2.gz UVYAXJFFVOMJLK-STZQEDGTSA-N 1 3 367.537 2.550 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc5c(c4)CCC5)C[C@H]32)C1 ZINC001084773565 997298009 /nfs/dbraw/zinc/29/80/09/997298009.db2.gz UVYAXJFFVOMJLK-STZQEDGTSA-N 1 3 367.537 2.550 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c(C)c1 ZINC001084775440 997304197 /nfs/dbraw/zinc/30/41/97/997304197.db2.gz GUGOPROQACOAJH-HMXCVIKNSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)c(C)c1 ZINC001084775440 997304210 /nfs/dbraw/zinc/30/42/10/997304210.db2.gz GUGOPROQACOAJH-HMXCVIKNSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c(C)c1 ZINC001084775439 997305525 /nfs/dbraw/zinc/30/55/25/997305525.db2.gz GUGOPROQACOAJH-CEWLAPEOSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)c(C)c1 ZINC001084775439 997305535 /nfs/dbraw/zinc/30/55/35/997305535.db2.gz GUGOPROQACOAJH-CEWLAPEOSA-N 1 3 355.526 2.678 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084775453 997306015 /nfs/dbraw/zinc/30/60/15/997306015.db2.gz HNSFWKRTXNLFGY-UCNVEGJOSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084775453 997306027 /nfs/dbraw/zinc/30/60/27/997306027.db2.gz HNSFWKRTXNLFGY-UCNVEGJOSA-N 1 3 367.537 2.939 20 0 FFADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000677239687 1016135327 /nfs/dbraw/zinc/13/53/27/1016135327.db2.gz JOJVLRIIMXDMDR-MLNNCEHLSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000677239687 1016135333 /nfs/dbraw/zinc/13/53/33/1016135333.db2.gz JOJVLRIIMXDMDR-MLNNCEHLSA-N 1 3 357.542 2.882 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CCC5)cc4)C[C@H]32)C1 ZINC001084831319 997578850 /nfs/dbraw/zinc/57/88/50/997578850.db2.gz GTTWVLJKQCOZBE-BHIFYINESA-N 1 3 367.537 2.939 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CCC5)cc4)C[C@H]32)C1 ZINC001084831319 997578858 /nfs/dbraw/zinc/57/88/58/997578858.db2.gz GTTWVLJKQCOZBE-BHIFYINESA-N 1 3 367.537 2.939 20 0 FFADHO c1ccc(-c2noc(C3CCN(C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)CC3)n2)cc1 ZINC000903730761 1016159514 /nfs/dbraw/zinc/15/95/14/1016159514.db2.gz YXWAMKHBCCDJRU-GHTZIAJQSA-N 1 3 368.481 2.685 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ncccc4C)[C@H]3C2)CC[N@@H+]1C ZINC001084944592 998244546 /nfs/dbraw/zinc/24/45/46/998244546.db2.gz YKSLRSPAUIPCLK-JYRKZWEQSA-N 1 3 370.541 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ncccc4C)[C@H]3C2)CC[N@H+]1C ZINC001084944592 998244557 /nfs/dbraw/zinc/24/45/57/998244557.db2.gz YKSLRSPAUIPCLK-JYRKZWEQSA-N 1 3 370.541 2.543 20 0 FFADHO CC(=O)Nc1ccc2c(CN3CCC(C(C)(C)C[NH3+])CC3)cc(=O)oc2c1 ZINC000903790602 1016200966 /nfs/dbraw/zinc/20/09/66/1016200966.db2.gz QWTWVNYRGGQUJM-UHFFFAOYSA-N 1 3 371.481 2.948 20 0 FFADHO COc1cc(Cl)cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001144489644 998601687 /nfs/dbraw/zinc/60/16/87/998601687.db2.gz MQOVQZCASLCJIK-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(CN2CCCC2)c1 ZINC000733159218 998901962 /nfs/dbraw/zinc/90/19/62/998901962.db2.gz MPOGKQGQAZXHES-NRFANRHFSA-N 1 3 371.525 2.656 20 0 FFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929480 1016310880 /nfs/dbraw/zinc/31/08/80/1016310880.db2.gz GOJLUDMXJCBIQX-QUCCMNQESA-N 1 3 351.498 2.972 20 0 FFADHO CCc1onc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H]1C ZINC001085332181 999377802 /nfs/dbraw/zinc/37/78/02/999377802.db2.gz NKMUTONCCSFOLZ-BMGDILEWSA-N 1 3 362.518 2.547 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001085432453 999516087 /nfs/dbraw/zinc/51/60/87/999516087.db2.gz YJXZSZDUGXQSDK-WOJBJXKFSA-N 1 3 370.497 2.875 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CNCCC1(F)F ZINC000903957665 1016331457 /nfs/dbraw/zinc/33/14/57/1016331457.db2.gz SFNVSFCXBKNUNS-GFCCVEGCSA-N 1 3 368.380 2.562 20 0 FFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086371585 999876470 /nfs/dbraw/zinc/87/64/70/999876470.db2.gz OHIYOVKEWWXKBZ-QBPKDAKJSA-N 1 3 363.933 2.973 20 0 FFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086371585 999876474 /nfs/dbraw/zinc/87/64/74/999876474.db2.gz OHIYOVKEWWXKBZ-QBPKDAKJSA-N 1 3 363.933 2.973 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C1)C2 ZINC001169134422 1000024233 /nfs/dbraw/zinc/02/42/33/1000024233.db2.gz UARHXTYFSKJHGP-CPDPWVEUSA-N 1 3 357.498 2.709 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C1)C2 ZINC001169134422 1000024235 /nfs/dbraw/zinc/02/42/35/1000024235.db2.gz UARHXTYFSKJHGP-CPDPWVEUSA-N 1 3 357.498 2.709 20 0 FFADHO C[NH+](C)CC1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000768304244 1000203871 /nfs/dbraw/zinc/20/38/71/1000203871.db2.gz VRDGQTQLDPHTRB-UHFFFAOYSA-N 1 3 368.525 2.845 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)cc1CN1CCCCC1 ZINC000846192829 1000226892 /nfs/dbraw/zinc/22/68/92/1000226892.db2.gz JWMQKPACUHPQSW-UWJYYQICSA-N 1 3 362.514 2.873 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001109473785 1000519818 /nfs/dbraw/zinc/51/98/18/1000519818.db2.gz FTTQDSZNZATTEI-YDZRNGNQSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001109473785 1000519825 /nfs/dbraw/zinc/51/98/25/1000519825.db2.gz FTTQDSZNZATTEI-YDZRNGNQSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001109473785 1000519829 /nfs/dbraw/zinc/51/98/29/1000519829.db2.gz FTTQDSZNZATTEI-YDZRNGNQSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109473785 1000519836 /nfs/dbraw/zinc/51/98/36/1000519836.db2.gz FTTQDSZNZATTEI-YDZRNGNQSA-N 1 3 353.526 2.968 20 0 FFADHO COc1cccc2cc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)oc21 ZINC000769528321 1000542046 /nfs/dbraw/zinc/54/20/46/1000542046.db2.gz VDOSGMVXVHWRPM-LPHOPBHVSA-N 1 3 357.498 2.899 20 0 FFADHO COc1cccc2cc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)oc21 ZINC000769528321 1000542049 /nfs/dbraw/zinc/54/20/49/1000542049.db2.gz VDOSGMVXVHWRPM-LPHOPBHVSA-N 1 3 357.498 2.899 20 0 FFADHO COc1cccc2cc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)oc21 ZINC000769528320 1000542749 /nfs/dbraw/zinc/54/27/49/1000542749.db2.gz VDOSGMVXVHWRPM-APWZRJJASA-N 1 3 357.498 2.899 20 0 FFADHO COc1cccc2cc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)oc21 ZINC000769528320 1000542752 /nfs/dbraw/zinc/54/27/52/1000542752.db2.gz VDOSGMVXVHWRPM-APWZRJJASA-N 1 3 357.498 2.899 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@]3(C)C2)cc1F ZINC001091684872 1001055350 /nfs/dbraw/zinc/05/53/50/1001055350.db2.gz UBGCKDVMRFVBGR-KIQACKJLSA-N 1 3 373.516 2.755 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@]3(C)C2)cc1F ZINC001091684872 1001055355 /nfs/dbraw/zinc/05/53/55/1001055355.db2.gz UBGCKDVMRFVBGR-KIQACKJLSA-N 1 3 373.516 2.755 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C)C(C)C ZINC001109860159 1001090542 /nfs/dbraw/zinc/09/05/42/1001090542.db2.gz NYOLVPAWILKJIJ-FYQPLNBISA-N 1 3 367.578 2.889 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2cccnc21 ZINC001109926344 1001160523 /nfs/dbraw/zinc/16/05/23/1001160523.db2.gz FNFSQCXWSIOFQX-AABGKKOBSA-N 1 3 366.509 2.798 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2cccnc21 ZINC001109926344 1001160527 /nfs/dbraw/zinc/16/05/27/1001160527.db2.gz FNFSQCXWSIOFQX-AABGKKOBSA-N 1 3 366.509 2.798 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@@]2(C)C1)C1CCC1 ZINC001091742963 1001201334 /nfs/dbraw/zinc/20/13/34/1001201334.db2.gz HBLDKDLVYOQCLA-JZWVFAODSA-N 1 3 367.537 2.939 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@@]2(C)C1)C1CCC1 ZINC001091742963 1001201340 /nfs/dbraw/zinc/20/13/40/1001201340.db2.gz HBLDKDLVYOQCLA-JZWVFAODSA-N 1 3 367.537 2.939 20 0 FFADHO COc1ccc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)cc1 ZINC001110002524 1001282086 /nfs/dbraw/zinc/28/20/86/1001282086.db2.gz KMHFWCFTTLGJHN-GIVPXCGWSA-N 1 3 373.541 2.691 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3Cl)C2)C1 ZINC001086875054 1001312766 /nfs/dbraw/zinc/31/27/66/1001312766.db2.gz CXCLEXXDUXTGBB-RRFJBIMHSA-N 1 3 367.896 2.805 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3Cl)C2)C1 ZINC001086875054 1001312773 /nfs/dbraw/zinc/31/27/73/1001312773.db2.gz CXCLEXXDUXTGBB-RRFJBIMHSA-N 1 3 367.896 2.805 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001112548880 1001458245 /nfs/dbraw/zinc/45/82/45/1001458245.db2.gz XSMLQYDIHQCFKZ-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc(C)ns2)C1 ZINC001112548878 1001458456 /nfs/dbraw/zinc/45/84/56/1001458456.db2.gz XNPHMQQWBZRTNL-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnc(C)s2)C1 ZINC001112567310 1001497851 /nfs/dbraw/zinc/49/78/51/1001497851.db2.gz IAORMUIBGFLOFJ-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO Cc1ncsc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586149 1001538120 /nfs/dbraw/zinc/53/81/20/1001538120.db2.gz JTXJNRSHJSEHSW-LPHOPBHVSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cs1 ZINC001092013692 1002287157 /nfs/dbraw/zinc/28/71/57/1002287157.db2.gz WWYGQCIUSTVSLM-CVAIRZPRSA-N 1 3 361.555 2.679 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cs1 ZINC001092013692 1002287165 /nfs/dbraw/zinc/28/71/65/1002287165.db2.gz WWYGQCIUSTVSLM-CVAIRZPRSA-N 1 3 361.555 2.679 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](Cc4ccsc4)C[C@@]3(C)C2)C1 ZINC001092015643 1002290452 /nfs/dbraw/zinc/29/04/52/1002290452.db2.gz SPFKNFQTQDWAIL-XLIONFOSSA-N 1 3 361.555 2.760 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](Cc4ccsc4)C[C@@]3(C)C2)C1 ZINC001092015643 1002290462 /nfs/dbraw/zinc/29/04/62/1002290462.db2.gz SPFKNFQTQDWAIL-XLIONFOSSA-N 1 3 361.555 2.760 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c(C)s1 ZINC001092050368 1002320473 /nfs/dbraw/zinc/32/04/73/1002320473.db2.gz SBKHJNVDLYVUIU-APWZRJJASA-N 1 3 358.511 2.611 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c(C)s1 ZINC001092050368 1002320483 /nfs/dbraw/zinc/32/04/83/1002320483.db2.gz SBKHJNVDLYVUIU-APWZRJJASA-N 1 3 358.511 2.611 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC001092071064 1002366922 /nfs/dbraw/zinc/36/69/22/1002366922.db2.gz FQEKITJKZMPHJR-DWLFOUALSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@H]1C[C@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001170215256 1003048889 /nfs/dbraw/zinc/04/88/89/1003048889.db2.gz ANKRVTAJMAMLNY-RTWAWAEBSA-N 1 3 373.541 2.954 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N(CCN(C)C)Cc1ccccc1 ZINC001196651128 1003901737 /nfs/dbraw/zinc/90/17/37/1003901737.db2.gz OESDRPMDJRPGTP-UHFFFAOYSA-N 1 3 350.576 2.657 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncc4[nH]ccc4n3)c3ccccc23)CC1 ZINC001170522731 1004580878 /nfs/dbraw/zinc/58/08/78/1004580878.db2.gz SMHIFMAFWYFFHU-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO COc1nccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1N ZINC001170529003 1004643387 /nfs/dbraw/zinc/64/33/87/1004643387.db2.gz ZKVGKLOSNBPBRH-UHFFFAOYSA-N 1 3 365.481 2.582 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC1CCC1 ZINC001198741747 1004719173 /nfs/dbraw/zinc/71/91/73/1004719173.db2.gz LQFGFTBVGIXINW-SZVBFZGTSA-N 1 3 359.514 2.582 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC1CCC1 ZINC001198741747 1004719177 /nfs/dbraw/zinc/71/91/77/1004719177.db2.gz LQFGFTBVGIXINW-SZVBFZGTSA-N 1 3 359.514 2.582 20 0 FFADHO CCN(CC)CC(=O)N1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001273854830 1005128521 /nfs/dbraw/zinc/12/85/21/1005128521.db2.gz KPGWVQKKUVBEPD-UHFFFAOYSA-N 1 3 363.468 2.985 20 0 FFADHO CCN(CC)CC(=O)N1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001273854830 1005128524 /nfs/dbraw/zinc/12/85/24/1005128524.db2.gz KPGWVQKKUVBEPD-UHFFFAOYSA-N 1 3 363.468 2.985 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001489036873 1005399554 /nfs/dbraw/zinc/39/95/54/1005399554.db2.gz KHTVEXKTVUFFJL-YZGWKJHDSA-N 1 3 365.562 2.647 20 0 FFADHO CCOC(=O)N1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000850362038 1005811160 /nfs/dbraw/zinc/81/11/60/1005811160.db2.gz HULWWSPDEMGMAY-UHFFFAOYSA-N 1 3 360.502 2.504 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000852753868 1006169160 /nfs/dbraw/zinc/16/91/60/1006169160.db2.gz JUHDDISKPGGFOR-IBGZPJMESA-N 1 3 370.541 2.937 20 0 FFADHO C[NH+](C)CCC[C@@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000852761633 1006171511 /nfs/dbraw/zinc/17/15/11/1006171511.db2.gz YQWGBEUNXIWDCM-GOSISDBHSA-N 1 3 369.550 2.676 20 0 FFADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000776628258 1006227145 /nfs/dbraw/zinc/22/71/45/1006227145.db2.gz ORABIABGCMSBSW-XFXZXTDPSA-N 1 3 371.525 2.727 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2cncc(C)c2)CC3)CC[N@@H+]1C ZINC001050523759 1017040883 /nfs/dbraw/zinc/04/08/83/1017040883.db2.gz IYODUIBPRWWEGK-VQTJNVASSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2cncc(C)c2)CC3)CC[N@H+]1C ZINC001050523759 1017040895 /nfs/dbraw/zinc/04/08/95/1017040895.db2.gz IYODUIBPRWWEGK-VQTJNVASSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C)CC[N@@H+]1C ZINC001097104235 1017042283 /nfs/dbraw/zinc/04/22/83/1017042283.db2.gz LAMZIECJWNWSBL-XNTOXWQXSA-N 1 3 355.526 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C)CC[N@H+]1C ZINC001097104235 1017042292 /nfs/dbraw/zinc/04/22/92/1017042292.db2.gz LAMZIECJWNWSBL-XNTOXWQXSA-N 1 3 355.526 2.947 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc4c3CCOC4)cc2)CC1 ZINC000882905520 1006553071 /nfs/dbraw/zinc/55/30/71/1006553071.db2.gz IZORMXCUEMTYEU-UHFFFAOYSA-N 1 3 365.521 2.797 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690154 1006678702 /nfs/dbraw/zinc/67/87/02/1006678702.db2.gz HSEBZDBGYCXJOZ-RBUKOAKNSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1cc([C@H](C)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000883343776 1006759253 /nfs/dbraw/zinc/75/92/53/1006759253.db2.gz ZCWJEPJICOLBQB-SFHVURJKSA-N 1 3 356.514 2.796 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC1 ZINC001188962490 1006822655 /nfs/dbraw/zinc/82/26/55/1006822655.db2.gz AUEYBJAVEHXRQW-JRDMDSSDSA-N 1 3 353.510 2.574 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCCCC(F)(F)F)C[C@H]32)CC1 ZINC001189017903 1006851676 /nfs/dbraw/zinc/85/16/76/1006851676.db2.gz ACUFXKFCVJCWJL-JKSUJKDBSA-N 1 3 361.452 2.594 20 0 FFADHO O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)[C@@H]1CCCN1C1CC1 ZINC000816764380 1007193841 /nfs/dbraw/zinc/19/38/41/1007193841.db2.gz RNWORRKXLYJEKL-KRWDZBQOSA-N 1 3 354.454 2.989 20 0 FFADHO COc1ccc(/C=C(\C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000855347083 1007295729 /nfs/dbraw/zinc/29/57/29/1007295729.db2.gz SILPAEATNXRGFS-STTHAQSSSA-N 1 3 365.493 2.626 20 0 FFADHO COc1ccc(/C=C(\C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000855347083 1007295737 /nfs/dbraw/zinc/29/57/37/1007295737.db2.gz SILPAEATNXRGFS-STTHAQSSSA-N 1 3 365.493 2.626 20 0 FFADHO Cc1cnc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001170861999 1007560292 /nfs/dbraw/zinc/56/02/92/1007560292.db2.gz JIWFIFLOCXNSHZ-NUEKZKHPSA-N 1 3 352.548 2.556 20 0 FFADHO Cc1cnc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001170861999 1007560303 /nfs/dbraw/zinc/56/03/03/1007560303.db2.gz JIWFIFLOCXNSHZ-NUEKZKHPSA-N 1 3 352.548 2.556 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000885922764 1007836331 /nfs/dbraw/zinc/83/63/31/1007836331.db2.gz HEPHLHQPZTZINN-GOSISDBHSA-N 1 3 369.557 2.913 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CCN(CCC[NH+]3CCCCC3)C2)ccn1 ZINC000856586556 1007901251 /nfs/dbraw/zinc/90/12/51/1007901251.db2.gz SKROOYWZYXXIEU-NRFANRHFSA-N 1 3 360.546 2.862 20 0 FFADHO CCn1cc(CC[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cn1 ZINC000856603896 1007912676 /nfs/dbraw/zinc/91/26/76/1007912676.db2.gz GHAIUEOHGVSLGE-OAQYLSRUSA-N 1 3 371.529 2.834 20 0 FFADHO CCn1cc(CC[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cn1 ZINC000856603896 1007912685 /nfs/dbraw/zinc/91/26/85/1007912685.db2.gz GHAIUEOHGVSLGE-OAQYLSRUSA-N 1 3 371.529 2.834 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCCc3cn[nH]c32)[C@H](c2ccccc2)C1 ZINC000857846743 1008223553 /nfs/dbraw/zinc/22/35/53/1008223553.db2.gz GIHDGBZYLPCPQQ-UXHICEINSA-N 1 3 353.514 2.756 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC(NC(=O)CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000821502634 1008466736 /nfs/dbraw/zinc/46/67/36/1008466736.db2.gz UEAOCSPMIOGKKY-UHFFFAOYSA-N 1 3 374.529 2.504 20 0 FFADHO O=C(NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000886495404 1008702382 /nfs/dbraw/zinc/70/23/82/1008702382.db2.gz XAAMATWWENMBCH-FHWLQOOXSA-N 1 3 353.466 2.652 20 0 FFADHO O=C(NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccco1 ZINC000886495404 1008702395 /nfs/dbraw/zinc/70/23/95/1008702395.db2.gz XAAMATWWENMBCH-FHWLQOOXSA-N 1 3 353.466 2.652 20 0 FFADHO O=C(NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccco1 ZINC000886495404 1008702405 /nfs/dbraw/zinc/70/24/05/1008702405.db2.gz XAAMATWWENMBCH-FHWLQOOXSA-N 1 3 353.466 2.652 20 0 FFADHO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CN1CCOCC1 ZINC000886530244 1008722310 /nfs/dbraw/zinc/72/23/10/1008722310.db2.gz GZPWSABOMLVGKW-GBAJDQEWSA-N 1 3 357.542 2.597 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c(OC)c1 ZINC000130523511 1009343831 /nfs/dbraw/zinc/34/38/31/1009343831.db2.gz IEHOSYMURSNQQL-MRXNPFEDSA-N 1 3 370.497 2.701 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 ZINC001179817242 1009462488 /nfs/dbraw/zinc/46/24/88/1009462488.db2.gz PCDAQOLUSJLQSC-SXLOBPIMSA-N 1 3 357.498 2.717 20 0 FFADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC001180221233 1009598848 /nfs/dbraw/zinc/59/88/48/1009598848.db2.gz GDTICPNKYCKISS-NRFANRHFSA-N 1 3 374.529 2.518 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(CCC2(NC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC001180873625 1009882782 /nfs/dbraw/zinc/88/27/82/1009882782.db2.gz UQTGOZJEKWHZGG-QGZVFWFLSA-N 1 3 369.550 2.867 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@H](C)C2)o1 ZINC001093224235 1010167902 /nfs/dbraw/zinc/16/79/02/1010167902.db2.gz OPIKQMTYLNIPHH-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccnc(OC(F)F)c2)CC1 ZINC001181707797 1010210837 /nfs/dbraw/zinc/21/08/37/1010210837.db2.gz OOFHEHJXNULFCI-UHFFFAOYSA-N 1 3 355.429 2.806 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863544963 1010251117 /nfs/dbraw/zinc/25/11/17/1010251117.db2.gz FZEUHJFMEJAOBV-ZACQAIPSSA-N 1 3 357.498 2.962 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001094042734 1010804825 /nfs/dbraw/zinc/80/48/25/1010804825.db2.gz YRLUTYCIRHHRHR-PWIZWCRZSA-N 1 3 357.542 2.829 20 0 FFADHO CC(C)(C)OC(=O)Nc1cnc(CNCC2CC[NH+](C3CC3)CC2)cn1 ZINC000865545852 1010812748 /nfs/dbraw/zinc/81/27/48/1010812748.db2.gz QCRYHFMHHYHJQR-UHFFFAOYSA-N 1 3 361.490 2.788 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667516 1011034735 /nfs/dbraw/zinc/03/47/35/1011034735.db2.gz OOIUQQPNCAHBFH-RAUXBKROSA-N 1 3 359.514 2.930 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000868447806 1011307607 /nfs/dbraw/zinc/30/76/07/1011307607.db2.gz WCOXFGXSGPILMO-JMDAGXMHSA-N 1 3 358.530 2.994 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000868447808 1011307739 /nfs/dbraw/zinc/30/77/39/1011307739.db2.gz WCOXFGXSGPILMO-LSNYBQGISA-N 1 3 358.530 2.994 20 0 FFADHO CCC[NH+](CCC)CC(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001274471871 1011458613 /nfs/dbraw/zinc/45/86/13/1011458613.db2.gz PZMRSLZPJCTFAL-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO CN(CCN1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075194 1011611184 /nfs/dbraw/zinc/61/11/84/1011611184.db2.gz BZDAPSPQIQUCEL-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO CN(CCN1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075194 1011611192 /nfs/dbraw/zinc/61/11/92/1011611192.db2.gz BZDAPSPQIQUCEL-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO C[N@H+](CCN1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075194 1011611206 /nfs/dbraw/zinc/61/12/06/1011611206.db2.gz BZDAPSPQIQUCEL-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO C[N@@H+](CCN1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075194 1011611214 /nfs/dbraw/zinc/61/12/14/1011611214.db2.gz BZDAPSPQIQUCEL-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO CN(C)C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001172067133 1011627583 /nfs/dbraw/zinc/62/75/83/1011627583.db2.gz AXBATHQVOVZLCO-LRSLUSHPSA-N 1 3 357.542 2.835 20 0 FFADHO CN(C)C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172067133 1011627596 /nfs/dbraw/zinc/62/75/96/1011627596.db2.gz AXBATHQVOVZLCO-LRSLUSHPSA-N 1 3 357.542 2.835 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cccc4c3OCCO4)CC1)C2 ZINC001172126272 1011631506 /nfs/dbraw/zinc/63/15/06/1011631506.db2.gz VSQHOPLLYQOASB-BCDXTJNWSA-N 1 3 357.498 2.595 20 0 FFADHO Cn1cc([C@@H]2COC3(C2)CC[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)N4C)CC3)cn1 ZINC001172119701 1011654120 /nfs/dbraw/zinc/65/41/20/1011654120.db2.gz ZETLEYPDZNWERH-IJXRJRJASA-N 1 3 358.530 2.774 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]31)C2 ZINC001172121135 1011655122 /nfs/dbraw/zinc/65/51/22/1011655122.db2.gz HZPNSVVSXITKIM-FQBWVUSXSA-N 1 3 357.498 2.831 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]31)C2 ZINC001172121135 1011655126 /nfs/dbraw/zinc/65/51/26/1011655126.db2.gz HZPNSVVSXITKIM-FQBWVUSXSA-N 1 3 357.498 2.831 20 0 FFADHO O=C1CC[C@H]2C[C@H]([NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)CCN12 ZINC001172177426 1011684313 /nfs/dbraw/zinc/68/43/13/1011684313.db2.gz ITBZMFTWFDDRFD-UXHICEINSA-N 1 3 368.525 2.523 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646070219 1011719462 /nfs/dbraw/zinc/71/94/62/1011719462.db2.gz NVGCLQZHGBWJOH-LEWJYISDSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000646337326 1011861248 /nfs/dbraw/zinc/86/12/48/1011861248.db2.gz ZAOPZBVXSGOGRC-UIFIKXQLSA-N 1 3 355.526 2.540 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001172628771 1011902777 /nfs/dbraw/zinc/90/27/77/1011902777.db2.gz YKBQBXJOPIBCBT-GGPKGHCWSA-N 1 3 352.519 2.541 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001172628771 1011902782 /nfs/dbraw/zinc/90/27/82/1011902782.db2.gz YKBQBXJOPIBCBT-GGPKGHCWSA-N 1 3 352.519 2.541 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN([C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172630078 1011906103 /nfs/dbraw/zinc/90/61/03/1011906103.db2.gz CERQKNAEBSFGQS-WOJBJXKFSA-N 1 3 367.578 2.848 20 0 FFADHO COC(=O)N1CCC(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001172740721 1011979196 /nfs/dbraw/zinc/97/91/96/1011979196.db2.gz NCBFYGPYUARWAW-NRFANRHFSA-N 1 3 357.498 2.815 20 0 FFADHO COC(=O)N1CCC(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001172740721 1011979203 /nfs/dbraw/zinc/97/92/03/1011979203.db2.gz NCBFYGPYUARWAW-NRFANRHFSA-N 1 3 357.498 2.815 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Cl)N1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001172868129 1012058728 /nfs/dbraw/zinc/05/87/28/1012058728.db2.gz FDMYEKBHCHNZTE-CQSZACIVSA-N 1 3 355.885 2.506 20 0 FFADHO Cc1ccc2[nH]cc(CN3CCC[C@@]34CCN(CC[NH+](C)C)C4=O)c2c1 ZINC001275355924 1012354607 /nfs/dbraw/zinc/35/46/07/1012354607.db2.gz DEKLJLBSPSKWFB-NRFANRHFSA-N 1 3 354.498 2.605 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544261 1012527206 /nfs/dbraw/zinc/52/72/06/1012527206.db2.gz YWOCYLRPWJCEGA-CABCVRRESA-N 1 3 374.451 2.881 20 0 FFADHO CN1CC2(C1)CC[NH+](C1CCN(C(=O)c3ccc(Cl)cc3)CC1)CC2 ZINC001173419812 1012548279 /nfs/dbraw/zinc/54/82/79/1012548279.db2.gz LXOHIVRCVLVPQE-UHFFFAOYSA-N 1 3 361.917 2.972 20 0 FFADHO CN1CCN(Cc2ccccc2C[NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173472070 1012602659 /nfs/dbraw/zinc/60/26/59/1012602659.db2.gz VLQJRZOIYGVILC-UHFFFAOYSA-N 1 3 371.475 2.969 20 0 FFADHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc2occc2c1 ZINC001275548663 1012606056 /nfs/dbraw/zinc/60/60/56/1012606056.db2.gz HACWDGMYXZLCDL-OAQYLSRUSA-N 1 3 355.482 2.951 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975485 1012650659 /nfs/dbraw/zinc/65/06/59/1012650659.db2.gz AXHVZPUSQDGNON-SOAMZJECSA-N 1 3 371.525 2.727 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977181 1012655322 /nfs/dbraw/zinc/65/53/22/1012655322.db2.gz YWHSATDZIZHOBG-SZMVWBNQSA-N 1 3 372.513 2.684 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cc2F)CC1 ZINC000871012524 1012679632 /nfs/dbraw/zinc/67/96/32/1012679632.db2.gz XCEGRWFPPYIFOP-LJQANCHMSA-N 1 3 356.445 2.606 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3c(F)cccc3F)CC2)C1=O ZINC001275662737 1012789120 /nfs/dbraw/zinc/78/91/20/1012789120.db2.gz SFQKSIMVDOPGFQ-FQEVSTJZSA-N 1 3 365.468 2.731 20 0 FFADHO c1cc(CN2CCC3(C2)CC[NH+]([C@H]2CCC[C@H](n4ncnn4)C2)CC3)co1 ZINC001173760346 1012950967 /nfs/dbraw/zinc/95/09/67/1012950967.db2.gz IQQGFTNIJYGIOT-OALUTQOASA-N 1 3 370.501 2.738 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046569 1032698517 /nfs/dbraw/zinc/69/85/17/1032698517.db2.gz KQBUIPHJXJSNAV-NHCUHLMSSA-N 1 3 355.526 2.904 20 0 FFADHO c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CNCCOC3)cc2)cn1 ZINC000925494777 1017769133 /nfs/dbraw/zinc/76/91/33/1017769133.db2.gz VOPKMNSXNQTIOR-NRFANRHFSA-N 1 3 362.477 2.676 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000680092494 1017771834 /nfs/dbraw/zinc/77/18/34/1017771834.db2.gz HWEAHOOMPMTGEO-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000680092494 1017771851 /nfs/dbraw/zinc/77/18/51/1017771851.db2.gz HWEAHOOMPMTGEO-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H](C)[C@H](CC[NH3+])C3)c(C)c2)CC1 ZINC000925915744 1017900472 /nfs/dbraw/zinc/90/04/72/1017900472.db2.gz OERWOKCMRHOUIQ-QZTJIDSGSA-N 1 3 373.545 2.586 20 0 FFADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@@H]2c2ccccc2)C1 ZINC000680818444 1018194799 /nfs/dbraw/zinc/19/47/99/1018194799.db2.gz YHXFHMBITNBKQU-LEWJYISDSA-N 1 3 373.541 2.687 20 0 FFADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@@H]2c2ccccc2)C1 ZINC000680818444 1018194804 /nfs/dbraw/zinc/19/48/04/1018194804.db2.gz YHXFHMBITNBKQU-LEWJYISDSA-N 1 3 373.541 2.687 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000749127404 1018334669 /nfs/dbraw/zinc/33/46/69/1018334669.db2.gz OAFQJDCDUBNXHK-AEFFLSMTSA-N 1 3 374.460 2.512 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000749127404 1018334672 /nfs/dbraw/zinc/33/46/72/1018334672.db2.gz OAFQJDCDUBNXHK-AEFFLSMTSA-N 1 3 374.460 2.512 20 0 FFADHO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000927144718 1018380624 /nfs/dbraw/zinc/38/06/24/1018380624.db2.gz IMOIXFVZYQLBAU-ZGXWSNOMSA-N 1 3 365.525 2.563 20 0 FFADHO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000681219091 1018419988 /nfs/dbraw/zinc/41/99/88/1018419988.db2.gz TXCPVWWPEKXVPA-SFTDATJTSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000681219091 1018420000 /nfs/dbraw/zinc/42/00/00/1018420000.db2.gz TXCPVWWPEKXVPA-SFTDATJTSA-N 1 3 370.541 2.777 20 0 FFADHO C[NH+](C)C1(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CCC1 ZINC000682121906 1018702547 /nfs/dbraw/zinc/70/25/47/1018702547.db2.gz MYIJRGDACBONDD-LJQANCHMSA-N 1 3 358.530 2.997 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccccn3)C3CC3)CC2)CC1 ZINC000928608052 1019040082 /nfs/dbraw/zinc/04/00/82/1019040082.db2.gz BSKLFZGKVBHAPZ-NRFANRHFSA-N 1 3 370.541 2.845 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@@H]5COC[C@@H]5O4)CC[C@H]32)cc1 ZINC000929842848 1019682181 /nfs/dbraw/zinc/68/21/81/1019682181.db2.gz DMXGFUOIXPJKFD-BDHVOXNPSA-N 1 3 356.510 2.777 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4C[C@@H]5COC[C@@H]5O4)CC[C@H]32)cc1 ZINC000929842848 1019682185 /nfs/dbraw/zinc/68/21/85/1019682185.db2.gz DMXGFUOIXPJKFD-BDHVOXNPSA-N 1 3 356.510 2.777 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(Cc3ccc4c(c3)COC4)CC2)CC[N@@H+]1C ZINC001045444951 1019971634 /nfs/dbraw/zinc/97/16/34/1019971634.db2.gz LZDCPLPFZVFQFO-OXQOHEQNSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(Cc3ccc4c(c3)COC4)CC2)CC[N@H+]1C ZINC001045444951 1019971642 /nfs/dbraw/zinc/97/16/42/1019971642.db2.gz LZDCPLPFZVFQFO-OXQOHEQNSA-N 1 3 371.525 2.528 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)C1 ZINC001096350998 1020193132 /nfs/dbraw/zinc/19/31/32/1020193132.db2.gz WTIIILFEFHKINS-OFCAXSSNSA-N 1 3 366.509 2.731 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)C1 ZINC001096350998 1020193138 /nfs/dbraw/zinc/19/31/38/1020193138.db2.gz WTIIILFEFHKINS-OFCAXSSNSA-N 1 3 366.509 2.731 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC34CC[NH+](C)CC4)c2)CC1 ZINC000930895255 1020230867 /nfs/dbraw/zinc/23/08/67/1020230867.db2.gz XPFNJUJFKDHZBP-UHFFFAOYSA-N 1 3 371.529 2.531 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c(C)c1 ZINC001098219825 1020741138 /nfs/dbraw/zinc/74/11/38/1020741138.db2.gz UMFXSKNTJUDXPJ-WLRLJWMZSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c(C)c1 ZINC001098219825 1020741144 /nfs/dbraw/zinc/74/11/44/1020741144.db2.gz UMFXSKNTJUDXPJ-WLRLJWMZSA-N 1 3 355.526 2.867 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CCC2)C3)C1 ZINC001099029434 1021630001 /nfs/dbraw/zinc/63/00/01/1021630001.db2.gz BQZPNRIRHZSTTE-WMQCIHAUSA-N 1 3 365.537 2.970 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CCC2)C3)C1 ZINC001099029434 1021630005 /nfs/dbraw/zinc/63/00/05/1021630005.db2.gz BQZPNRIRHZSTTE-WMQCIHAUSA-N 1 3 365.537 2.970 20 0 FFADHO C[C@@H](c1ccccc1F)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099123056 1021864780 /nfs/dbraw/zinc/86/47/80/1021864780.db2.gz PTVMYXCAQHYKGX-HOIFWPIMSA-N 1 3 371.500 2.953 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001014502636 1021878835 /nfs/dbraw/zinc/87/88/35/1021878835.db2.gz PEQDMEHYICGOIX-CMKODMSKSA-N 1 3 354.498 2.589 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001014502636 1021878849 /nfs/dbraw/zinc/87/88/49/1021878849.db2.gz PEQDMEHYICGOIX-CMKODMSKSA-N 1 3 354.498 2.589 20 0 FFADHO CCc1ccccc1CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014509187 1021885599 /nfs/dbraw/zinc/88/55/99/1021885599.db2.gz QEWYHFQKAKMIOE-QHAWAJNXSA-N 1 3 357.542 2.712 20 0 FFADHO CCc1ccccc1CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014509187 1021885613 /nfs/dbraw/zinc/88/56/13/1021885613.db2.gz QEWYHFQKAKMIOE-QHAWAJNXSA-N 1 3 357.542 2.712 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCOC)C(C)C ZINC001111163965 1022164138 /nfs/dbraw/zinc/16/41/38/1022164138.db2.gz BUMWWJZNVUJQQE-YRXWBPOGSA-N 1 3 353.551 2.501 20 0 FFADHO CN(CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC001099262240 1022185597 /nfs/dbraw/zinc/18/55/97/1022185597.db2.gz DYMWRIYJVWIRHD-HZPDHXFCSA-N 1 3 361.452 2.640 20 0 FFADHO O=C(N1C[C@@H](C(F)(F)F)[C@H](NCC2=CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC001099333403 1022314088 /nfs/dbraw/zinc/31/40/88/1022314088.db2.gz YVBCMGOROLYYLS-HZPDHXFCSA-N 1 3 371.447 2.562 20 0 FFADHO C[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197050 1022367699 /nfs/dbraw/zinc/36/76/99/1022367699.db2.gz GEXWYEBQKQJFED-QAKNJHSXSA-N 1 3 371.525 2.580 20 0 FFADHO Cc1n[nH]c(C)c1CN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001118798298 1022410970 /nfs/dbraw/zinc/41/09/70/1022410970.db2.gz MHSKMVZYWKNQRB-IBGZPJMESA-N 1 3 357.502 2.915 20 0 FFADHO Cc1n[nH]c(C)c1CN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001118798298 1022410974 /nfs/dbraw/zinc/41/09/74/1022410974.db2.gz MHSKMVZYWKNQRB-IBGZPJMESA-N 1 3 357.502 2.915 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccnc2)C1 ZINC001099434489 1022520322 /nfs/dbraw/zinc/52/03/22/1022520322.db2.gz RLQMRDLXIPQNTO-VWPQPMDRSA-N 1 3 370.541 2.673 20 0 FFADHO COc1ccc(CC[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1OC ZINC001222596154 1033060645 /nfs/dbraw/zinc/06/06/45/1033060645.db2.gz QWHLXSRIRPZFRK-IBGZPJMESA-N 1 3 352.478 2.935 20 0 FFADHO COc1ccc(CC[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1OC ZINC001222596154 1033060650 /nfs/dbraw/zinc/06/06/50/1033060650.db2.gz QWHLXSRIRPZFRK-IBGZPJMESA-N 1 3 352.478 2.935 20 0 FFADHO Cc1ccncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001099446387 1022539081 /nfs/dbraw/zinc/53/90/81/1022539081.db2.gz ODMRCKXLPDPQIZ-UGKGYDQZSA-N 1 3 370.541 2.593 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001099496443 1022631267 /nfs/dbraw/zinc/63/12/67/1022631267.db2.gz DGVOHDVVVMNMNP-CUWPLCDZSA-N 1 3 361.505 2.884 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2F)C1 ZINC001099506326 1022645625 /nfs/dbraw/zinc/64/56/25/1022645625.db2.gz PEUMVGFTUZRXTG-JXFKEZNVSA-N 1 3 356.445 2.510 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656836 1033094300 /nfs/dbraw/zinc/09/43/00/1033094300.db2.gz WNCPQGLICALIPT-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO COCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656836 1033094307 /nfs/dbraw/zinc/09/43/07/1033094307.db2.gz WNCPQGLICALIPT-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656271 1033095450 /nfs/dbraw/zinc/09/54/50/1033095450.db2.gz CZNHWLDGSVSGRZ-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656271 1033095462 /nfs/dbraw/zinc/09/54/62/1033095462.db2.gz CZNHWLDGSVSGRZ-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000948384759 1023244613 /nfs/dbraw/zinc/24/46/13/1023244613.db2.gz FXNBEDCVBQYSHU-NZSAHSFTSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)CC2)CC[N@H+]1C ZINC000948384759 1023244622 /nfs/dbraw/zinc/24/46/22/1023244622.db2.gz FXNBEDCVBQYSHU-NZSAHSFTSA-N 1 3 361.505 2.979 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](OC)c1ccccc1 ZINC001111307621 1023754891 /nfs/dbraw/zinc/75/48/91/1023754891.db2.gz NQSZHYOYSOKRJS-MXEMCNAFSA-N 1 3 373.541 2.828 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](OC)c1ccccc1 ZINC001111307621 1023754897 /nfs/dbraw/zinc/75/48/97/1023754897.db2.gz NQSZHYOYSOKRJS-MXEMCNAFSA-N 1 3 373.541 2.828 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001121653881 1023905305 /nfs/dbraw/zinc/90/53/05/1023905305.db2.gz FUXBMBJSTWZVDK-JKHFOPOESA-N 1 3 374.577 2.632 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001121653881 1023905311 /nfs/dbraw/zinc/90/53/11/1023905311.db2.gz FUXBMBJSTWZVDK-JKHFOPOESA-N 1 3 374.577 2.632 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001121920897 1024171563 /nfs/dbraw/zinc/17/15/63/1024171563.db2.gz LODGGHRYVNAZFC-QAPCUYQASA-N 1 3 367.497 2.632 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1cnc(CC2CC[NH2+]CC2)s1)c1ccccc1 ZINC001121975936 1024224404 /nfs/dbraw/zinc/22/44/04/1024224404.db2.gz XBYFFUWWXYHTFP-KRWDZBQOSA-N 1 3 372.538 2.718 20 0 FFADHO [NH3+]CC[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)c2ccccc21 ZINC001122108761 1024342737 /nfs/dbraw/zinc/34/27/37/1024342737.db2.gz HREAGURHESVKNB-OALUTQOASA-N 1 3 364.493 2.773 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@]2(C)C1 ZINC001101438692 1024746024 /nfs/dbraw/zinc/74/60/24/1024746024.db2.gz OLMCFTUKJQTFDC-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@]2(C)C1 ZINC001101438692 1024746039 /nfs/dbraw/zinc/74/60/39/1024746039.db2.gz OLMCFTUKJQTFDC-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976207 1025235025 /nfs/dbraw/zinc/23/50/25/1025235025.db2.gz PCOWFYBFOFHNGB-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976207 1025235036 /nfs/dbraw/zinc/23/50/36/1025235036.db2.gz PCOWFYBFOFHNGB-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218668547 1033272460 /nfs/dbraw/zinc/27/24/60/1033272460.db2.gz JZXNXRXTIMNYHD-INIZCTEOSA-N 1 3 373.501 2.573 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048514 1025356060 /nfs/dbraw/zinc/35/60/60/1025356060.db2.gz FLRGMKKKOISXRR-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048514 1025356072 /nfs/dbraw/zinc/35/60/72/1025356072.db2.gz FLRGMKKKOISXRR-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1C ZINC001102048965 1025356195 /nfs/dbraw/zinc/35/61/95/1025356195.db2.gz XSHKQVIKXPUBTJ-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1C ZINC001102048965 1025356210 /nfs/dbraw/zinc/35/62/10/1025356210.db2.gz XSHKQVIKXPUBTJ-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C)N(C)C ZINC001102070556 1025390951 /nfs/dbraw/zinc/39/09/51/1025390951.db2.gz NENRHRRTHKDULZ-YHYVQYDKSA-N 1 3 371.569 2.946 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C)N(C)C ZINC001102070556 1025390961 /nfs/dbraw/zinc/39/09/61/1025390961.db2.gz NENRHRRTHKDULZ-YHYVQYDKSA-N 1 3 371.569 2.946 20 0 FFADHO CC[C@@H](C)N1CCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000837005595 1025495939 /nfs/dbraw/zinc/49/59/39/1025495939.db2.gz QWPYSXUZEGJEMY-IBWPDUFMSA-N 1 3 359.514 2.583 20 0 FFADHO N[C@@H](C(=O)Nc1cnc2c(cccc2C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001218707870 1033290810 /nfs/dbraw/zinc/29/08/10/1033290810.db2.gz VFMMOWNUBAVAON-CQSZACIVSA-N 1 3 352.360 2.519 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366661 1025816489 /nfs/dbraw/zinc/81/64/89/1025816489.db2.gz MSLPBVAZPWTLLA-WOIUINJBSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366661 1025816513 /nfs/dbraw/zinc/81/65/13/1025816513.db2.gz MSLPBVAZPWTLLA-WOIUINJBSA-N 1 3 371.569 2.960 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1 ZINC001102369937 1025824167 /nfs/dbraw/zinc/82/41/67/1025824167.db2.gz LCFGCNXCUKJTJR-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1 ZINC001102369937 1025824180 /nfs/dbraw/zinc/82/41/80/1025824180.db2.gz LCFGCNXCUKJTJR-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638553164 1025888961 /nfs/dbraw/zinc/88/89/61/1025888961.db2.gz RIMIOSSMWHDPAD-OAHLLOKOSA-N 1 3 362.468 2.876 20 0 FFADHO CC(C)COCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430449 1025963853 /nfs/dbraw/zinc/96/38/53/1025963853.db2.gz RBJCCLGHIAVEKR-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)COCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430449 1025963868 /nfs/dbraw/zinc/96/38/68/1025963868.db2.gz RBJCCLGHIAVEKR-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1C ZINC001102472005 1026035890 /nfs/dbraw/zinc/03/58/90/1026035890.db2.gz CCOGYUOFDXLXBI-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1C ZINC001102472005 1026035908 /nfs/dbraw/zinc/03/59/08/1026035908.db2.gz CCOGYUOFDXLXBI-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1C ZINC001102473615 1026047740 /nfs/dbraw/zinc/04/77/40/1026047740.db2.gz ITAILAJTXSLQGD-SJLPKXTDSA-N 1 3 357.498 2.959 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C ZINC001102473615 1026047748 /nfs/dbraw/zinc/04/77/48/1026047748.db2.gz ITAILAJTXSLQGD-SJLPKXTDSA-N 1 3 357.498 2.959 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638854105 1026051711 /nfs/dbraw/zinc/05/17/11/1026051711.db2.gz PAUKYXYKIVHQRL-GGAORHGYSA-N 1 3 370.585 2.972 20 0 FFADHO CC(C)n1cc(C2=CCCN(C3CC[NH+](CC(C)(C)O)CC3)CC2)nn1 ZINC000639227003 1026236424 /nfs/dbraw/zinc/23/64/24/1026236424.db2.gz JUKQWEXGKNRRBO-UHFFFAOYSA-N 1 3 361.534 2.574 20 0 FFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758014 1026459942 /nfs/dbraw/zinc/45/99/42/1026459942.db2.gz OKBUIRVFMIAIMC-HNNXBMFYSA-N 1 3 365.468 2.902 20 0 FFADHO Cc1ncsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083908 1026944962 /nfs/dbraw/zinc/94/49/62/1026944962.db2.gz OQOVSULLSHEMIJ-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083908 1026944972 /nfs/dbraw/zinc/94/49/72/1026944972.db2.gz OQOVSULLSHEMIJ-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089943 1026951927 /nfs/dbraw/zinc/95/19/27/1026951927.db2.gz HCIBSOBSMCHQHZ-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089943 1026951932 /nfs/dbraw/zinc/95/19/32/1026951932.db2.gz HCIBSOBSMCHQHZ-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111796 1026971695 /nfs/dbraw/zinc/97/16/95/1026971695.db2.gz PASNJFGOQQSUMN-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ncsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111796 1026971697 /nfs/dbraw/zinc/97/16/97/1026971697.db2.gz PASNJFGOQQSUMN-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1C ZINC001103156813 1027012250 /nfs/dbraw/zinc/01/22/50/1027012250.db2.gz XORWCEMDDYADDV-QZTJIDSGSA-N 1 3 360.546 2.695 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1C ZINC001103156813 1027012252 /nfs/dbraw/zinc/01/22/52/1027012252.db2.gz XORWCEMDDYADDV-QZTJIDSGSA-N 1 3 360.546 2.695 20 0 FFADHO CCO[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1)C1CC1 ZINC001103157845 1027013529 /nfs/dbraw/zinc/01/35/29/1027013529.db2.gz FSLKSLTWGZIIBA-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO CCO[C@@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1)C1CC1 ZINC001103157845 1027013535 /nfs/dbraw/zinc/01/35/35/1027013535.db2.gz FSLKSLTWGZIIBA-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO CCN1CCCN(C(=O)C2(c3ccccc3)CC[NH+](CC)CC2)[C@H](C)C1 ZINC001141860561 1027057703 /nfs/dbraw/zinc/05/77/03/1027057703.db2.gz AFGQUQCTHLIKES-LJQANCHMSA-N 1 3 357.542 2.983 20 0 FFADHO CC(C)(C)C(=O)N1CCC(CNc2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001159307217 1027348463 /nfs/dbraw/zinc/34/84/63/1027348463.db2.gz GTFQBIQZNWXMPS-UHFFFAOYSA-N 1 3 373.545 2.706 20 0 FFADHO C[NH+]1CCC2(CCC(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CC2)CC1 ZINC001159518153 1027418268 /nfs/dbraw/zinc/41/82/68/1027418268.db2.gz FHFVMCJPFHREQO-FQEVSTJZSA-N 1 3 353.526 2.970 20 0 FFADHO Cc1cnc(CN2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)s1 ZINC001103407883 1027420545 /nfs/dbraw/zinc/42/05/45/1027420545.db2.gz YYPVIDQLTSMRBL-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434137 1027475629 /nfs/dbraw/zinc/47/56/29/1027475629.db2.gz RFKGCUXOZCJKQB-SVFBPWRDSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434137 1027475642 /nfs/dbraw/zinc/47/56/42/1027475642.db2.gz RFKGCUXOZCJKQB-SVFBPWRDSA-N 1 3 357.542 2.788 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001159787902 1027499081 /nfs/dbraw/zinc/49/90/81/1027499081.db2.gz DKEORRPLTUMVJI-MRXNPFEDSA-N 1 3 370.831 2.977 20 0 FFADHO [NH3+]C[C@@]1(Nc2nccc3c2ccn3Cc2ccccc2)CN2CCC1CC2 ZINC001160513001 1027731720 /nfs/dbraw/zinc/73/17/20/1027731720.db2.gz IATBWSVJIJEUKE-JOCHJYFZSA-N 1 3 361.493 2.920 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1C ZINC001103612601 1027778903 /nfs/dbraw/zinc/77/89/03/1027778903.db2.gz LLWYUSASKPXYBQ-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1C ZINC001103612601 1027778920 /nfs/dbraw/zinc/77/89/20/1027778920.db2.gz LLWYUSASKPXYBQ-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001160882679 1027911015 /nfs/dbraw/zinc/91/10/15/1027911015.db2.gz DZQPQLZTUYDULN-INIZCTEOSA-N 1 3 357.420 2.649 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103664806 1027925043 /nfs/dbraw/zinc/92/50/43/1027925043.db2.gz XGZRGYHYTHPQPM-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103664806 1027925051 /nfs/dbraw/zinc/92/50/51/1027925051.db2.gz XGZRGYHYTHPQPM-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC001103677349 1027960092 /nfs/dbraw/zinc/96/00/92/1027960092.db2.gz YODYAYGPKMNQDD-CXAGYDPISA-N 1 3 360.527 2.905 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC001103677349 1027960098 /nfs/dbraw/zinc/96/00/98/1027960098.db2.gz YODYAYGPKMNQDD-CXAGYDPISA-N 1 3 360.527 2.905 20 0 FFADHO CN(CCN(C)C(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC001161160613 1028041624 /nfs/dbraw/zinc/04/16/24/1028041624.db2.gz CFJZWSJPDJWFSX-FGZHOGPDSA-N 1 3 365.521 2.970 20 0 FFADHO CN(Cc1ccc(NCC2CC[NH+](C3CCOCC3)CC2)nc1)C1CC1 ZINC001161240014 1028089487 /nfs/dbraw/zinc/08/94/87/1028089487.db2.gz GRJRFAVXPUKSNW-UHFFFAOYSA-N 1 3 358.530 2.979 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)C1 ZINC001154047729 1028126848 /nfs/dbraw/zinc/12/68/48/1028126848.db2.gz IOVDLVOWFAGMRW-WMZOPIPTSA-N 1 3 373.541 2.875 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001103756945 1028143495 /nfs/dbraw/zinc/14/34/95/1028143495.db2.gz GWAKEACTKWPWHJ-KBAYOESNSA-N 1 3 371.516 2.980 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001103756945 1028143505 /nfs/dbraw/zinc/14/35/05/1028143505.db2.gz GWAKEACTKWPWHJ-KBAYOESNSA-N 1 3 371.516 2.980 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001103757220 1028144874 /nfs/dbraw/zinc/14/48/74/1028144874.db2.gz RDSRSETWRVGBNC-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001103757220 1028144878 /nfs/dbraw/zinc/14/48/78/1028144878.db2.gz RDSRSETWRVGBNC-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C ZINC001103755708 1028145393 /nfs/dbraw/zinc/14/53/93/1028145393.db2.gz NXBAFZFGSCCKKX-UYAOXDASSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C ZINC001103755708 1028145401 /nfs/dbraw/zinc/14/54/01/1028145401.db2.gz NXBAFZFGSCCKKX-UYAOXDASSA-N 1 3 367.578 2.608 20 0 FFADHO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@@H](N)CSCC[NH3+] ZINC001161389977 1028155350 /nfs/dbraw/zinc/15/53/50/1028155350.db2.gz UUQYKCACCIPEJL-MSOLQXFVSA-N 1 3 351.560 2.656 20 0 FFADHO Cc1cc(CC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001161444706 1028178022 /nfs/dbraw/zinc/17/80/22/1028178022.db2.gz KLTKUBQZXLTSJK-QGZVFWFLSA-N 1 3 371.447 2.699 20 0 FFADHO Nc1cn(-c2ccnc(N3CCOCC3)c2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001212992230 1028196145 /nfs/dbraw/zinc/19/61/45/1028196145.db2.gz NQRDESDFUPSOEY-UHFFFAOYSA-N 1 3 365.412 2.577 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1ncc(OCC2CC[NH+](C)CC2)cn1 ZINC001162763146 1028648642 /nfs/dbraw/zinc/64/86/42/1028648642.db2.gz NHRTVPDSCYALRK-CQSZACIVSA-N 1 3 366.469 2.556 20 0 FFADHO CC[NH+](CC)CCNC(=N)NC(F)(F)c1cccc2c(Cl)ncnc21 ZINC001163128897 1028812778 /nfs/dbraw/zinc/81/27/78/1028812778.db2.gz QIAFCLTWFCKXNY-UHFFFAOYSA-N 1 3 370.835 2.788 20 0 FFADHO O=C(c1cccc2c[nH+]cn21)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001155794080 1028914582 /nfs/dbraw/zinc/91/45/82/1028914582.db2.gz JLHIHIDDANXCEU-ZBFHGGJFSA-N 1 3 367.478 2.527 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cc(C(=O)OC(C)(C)C)ccn3)CC2)CC1 ZINC001157837338 1029673052 /nfs/dbraw/zinc/67/30/52/1029673052.db2.gz SQVNNNDFMNVFON-UHFFFAOYSA-N 1 3 374.529 2.501 20 0 FFADHO COc1cc2ccnc(N3CCN(CC4CC[NH+](C)CC4)CC3)c2cc1F ZINC001157848225 1029674610 /nfs/dbraw/zinc/67/46/10/1029674610.db2.gz QYQUDZJDZFOSRM-UHFFFAOYSA-N 1 3 372.488 2.846 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3nc(Cl)nc4ccc(Cl)cc43)CC2)C1 ZINC001158260207 1029776705 /nfs/dbraw/zinc/77/67/05/1029776705.db2.gz YKHAIXIAICAMGP-GFCCVEGCSA-N 1 3 366.296 2.938 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3nc(Cl)nc4ccc(Cl)cc43)CC2)C1 ZINC001158260207 1029776707 /nfs/dbraw/zinc/77/67/07/1029776707.db2.gz YKHAIXIAICAMGP-GFCCVEGCSA-N 1 3 366.296 2.938 20 0 FFADHO Cc1nc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C(C)(C)C ZINC001158379816 1029815320 /nfs/dbraw/zinc/81/53/20/1029815320.db2.gz IOCAZKTXXLUXJY-HUUCEWRRSA-N 1 3 366.575 2.685 20 0 FFADHO Cc1nc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C(C)(C)C ZINC001158379816 1029815328 /nfs/dbraw/zinc/81/53/28/1029815328.db2.gz IOCAZKTXXLUXJY-HUUCEWRRSA-N 1 3 366.575 2.685 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)C1 ZINC000841007196 1029971420 /nfs/dbraw/zinc/97/14/20/1029971420.db2.gz DGIIQDDLKIKIRY-INIZCTEOSA-N 1 3 354.498 2.545 20 0 FFADHO c1ccc(CN2CC(CNc3cncc([C@@H]4C[NH+]5CCC4CC5)n3)C2)cc1 ZINC001165442544 1029982888 /nfs/dbraw/zinc/98/28/88/1029982888.db2.gz QCCLFMYDNSNHIP-HXUWFJFHSA-N 1 3 363.509 2.830 20 0 FFADHO Cc1nc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc(N2CCCC2)n1 ZINC001165671851 1030077086 /nfs/dbraw/zinc/07/70/86/1030077086.db2.gz LYTFAQVWRGNWOQ-QGZVFWFLSA-N 1 3 373.545 2.901 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)C2CCN(Cc3ccncc3)CC2)CC1 ZINC001142349588 1030335397 /nfs/dbraw/zinc/33/53/97/1030335397.db2.gz CTIFVKIFTVIXPA-UHFFFAOYSA-N 1 3 358.530 2.530 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000841637955 1030382077 /nfs/dbraw/zinc/38/20/77/1030382077.db2.gz YKHPRRZIQLEPRZ-SFHVURJKSA-N 1 3 372.538 2.886 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)N(C)C)cc1 ZINC000841753847 1030446620 /nfs/dbraw/zinc/44/66/20/1030446620.db2.gz FVDQJJFYRUXKMS-FQEVSTJZSA-N 1 3 354.498 2.598 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc(CC[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000841900930 1030530932 /nfs/dbraw/zinc/53/09/32/1030530932.db2.gz CVLVPTAPVKXYKE-UZLBHIALSA-N 1 3 354.498 2.678 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841931029 1030551405 /nfs/dbraw/zinc/55/14/05/1030551405.db2.gz OJBPCSLTIGSLNI-UHFFFAOYSA-N 1 3 360.546 2.841 20 0 FFADHO COCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112353304 1030633655 /nfs/dbraw/zinc/63/36/55/1030633655.db2.gz AYWYYKGQXXHXCG-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000843358548 1031352353 /nfs/dbraw/zinc/35/23/53/1031352353.db2.gz VKRNODBXAJAKHV-MYGLTJDJSA-N 1 3 354.494 2.505 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000843358548 1031352362 /nfs/dbraw/zinc/35/23/62/1031352362.db2.gz VKRNODBXAJAKHV-MYGLTJDJSA-N 1 3 354.494 2.505 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000843358548 1031352375 /nfs/dbraw/zinc/35/23/75/1031352375.db2.gz VKRNODBXAJAKHV-MYGLTJDJSA-N 1 3 354.494 2.505 20 0 FFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205307093 1031660632 /nfs/dbraw/zinc/66/06/32/1031660632.db2.gz OMYGWDIWDBMYFW-NZSAHSFTSA-N 1 3 367.484 2.800 20 0 FFADHO Cc1cccnc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543766 1031819382 /nfs/dbraw/zinc/81/93/82/1031819382.db2.gz ZQBQRYBMSYXOBL-QZTJIDSGSA-N 1 3 358.530 2.639 20 0 FFADHO Cc1cccnc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543766 1031819400 /nfs/dbraw/zinc/81/94/00/1031819400.db2.gz ZQBQRYBMSYXOBL-QZTJIDSGSA-N 1 3 358.530 2.639 20 0 FFADHO COc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Br)cc1O ZINC001205628869 1031884993 /nfs/dbraw/zinc/88/49/93/1031884993.db2.gz XKBMXMIRAHPJTD-VXGBXAGGSA-N 1 3 357.292 2.970 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001223453798 1033450844 /nfs/dbraw/zinc/45/08/44/1033450844.db2.gz MNMWBIWKIRXMOW-PZJWPPBQSA-N 1 3 372.557 2.866 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001223453798 1033450854 /nfs/dbraw/zinc/45/08/54/1033450854.db2.gz MNMWBIWKIRXMOW-PZJWPPBQSA-N 1 3 372.557 2.866 20 0 FFADHO N[C@@H](C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)C1CC[NH2+]CC1 ZINC001219069517 1033504829 /nfs/dbraw/zinc/50/48/29/1033504829.db2.gz DRCJQDVPWWTOGZ-GOSISDBHSA-N 1 3 374.872 2.579 20 0 FFADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219118147 1033522897 /nfs/dbraw/zinc/52/28/97/1033522897.db2.gz IJTHFSNWWDVWHN-NHCUHLMSSA-N 1 3 364.493 2.918 20 0 FFADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccccc1C(=O)OC/C=C/c1ccccc1 ZINC001219389079 1033628179 /nfs/dbraw/zinc/62/81/79/1033628179.db2.gz OJLWBUOXDSCZNX-HKMNZKMDSA-N 1 3 367.449 2.562 20 0 FFADHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001276933320 1033655857 /nfs/dbraw/zinc/65/58/57/1033655857.db2.gz VYAJETRLFKECNQ-NJYVYQBISA-N 1 3 357.542 2.959 20 0 FFADHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001276933320 1033655864 /nfs/dbraw/zinc/65/58/64/1033655864.db2.gz VYAJETRLFKECNQ-NJYVYQBISA-N 1 3 357.542 2.959 20 0 FFADHO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001219635761 1033724516 /nfs/dbraw/zinc/72/45/16/1033724516.db2.gz QLBXQICIEMIPLJ-PMACEKPBSA-N 1 3 367.468 2.524 20 0 FFADHO CC1(C)C[NH2+][C@@](C)(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001219669003 1033741507 /nfs/dbraw/zinc/74/15/07/1033741507.db2.gz IEFGCYKNXADKTQ-JOCHJYFZSA-N 1 3 357.542 2.836 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922721 1033893115 /nfs/dbraw/zinc/89/31/15/1033893115.db2.gz CYVRXJGMRFRQAA-YMHTTXFNSA-N 1 3 365.562 2.547 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922721 1033893127 /nfs/dbraw/zinc/89/31/27/1033893127.db2.gz CYVRXJGMRFRQAA-YMHTTXFNSA-N 1 3 365.562 2.547 20 0 FFADHO C[NH+]1CCN(CCOC2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC001224551141 1033926151 /nfs/dbraw/zinc/92/61/51/1033926151.db2.gz DBEQEDLYOSDBBS-UHFFFAOYSA-N 1 3 365.521 2.724 20 0 FFADHO N[C@@H](CC(=O)NC[C@H]([NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001220500264 1034225545 /nfs/dbraw/zinc/22/55/45/1034225545.db2.gz HJZDLKZPEZRXRL-HOTGVXAUSA-N 1 3 351.372 2.912 20 0 FFADHO [NH3+]CCN(C(=O)[C@H]1NCCC[C@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC001220538279 1034242959 /nfs/dbraw/zinc/24/29/59/1034242959.db2.gz IQBQTSPINKSIEP-PLENUKSMSA-N 1 3 373.463 2.673 20 0 FFADHO [NH3+]CCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1)C12CC3CC(CC(C3)C1)C2 ZINC001220538378 1034244287 /nfs/dbraw/zinc/24/42/87/1034244287.db2.gz MKGPOQCSFITEQE-PLENUKSMSA-N 1 3 373.463 2.673 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCCN1C)Cc1ccccc1 ZINC001220616928 1034291200 /nfs/dbraw/zinc/29/12/00/1034291200.db2.gz NKYGFUXWPHNLQT-PMACEKPBSA-N 1 3 360.546 2.723 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1csc([C@H]2CCC[NH2+]2)n1 ZINC001221062910 1034533418 /nfs/dbraw/zinc/53/34/18/1034533418.db2.gz FMQMDHICKLDTJJ-DLBZAZTESA-N 1 3 370.522 2.962 20 0 FFADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001226160783 1034551792 /nfs/dbraw/zinc/55/17/92/1034551792.db2.gz KXMCNDFHUWNUDS-QRVBRYPASA-N 1 3 353.551 2.693 20 0 FFADHO CN(CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001221433482 1034755328 /nfs/dbraw/zinc/75/53/28/1034755328.db2.gz JEEPCNOCZIOSAP-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CN(CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001221433482 1034755335 /nfs/dbraw/zinc/75/53/35/1034755335.db2.gz JEEPCNOCZIOSAP-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226921170 1034884858 /nfs/dbraw/zinc/88/48/58/1034884858.db2.gz CVSFTZZKBWWANM-QRVBRYPASA-N 1 3 355.567 2.652 20 0 FFADHO CCc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001226942130 1034889671 /nfs/dbraw/zinc/88/96/71/1034889671.db2.gz PFRIXCDXHPNCLE-MDZRGWNJSA-N 1 3 364.534 2.649 20 0 FFADHO CCc1onc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227150012 1034950581 /nfs/dbraw/zinc/95/05/81/1034950581.db2.gz JPAXCAXWMWBJMX-IAGOWNOFSA-N 1 3 364.534 2.793 20 0 FFADHO CCc1onc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227150012 1034950589 /nfs/dbraw/zinc/95/05/89/1034950589.db2.gz JPAXCAXWMWBJMX-IAGOWNOFSA-N 1 3 364.534 2.793 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC001227150610 1034951177 /nfs/dbraw/zinc/95/11/77/1034951177.db2.gz VWUXHKWCEODNSC-RCCFBDPRSA-N 1 3 353.551 2.550 20 0 FFADHO CCCCc1nc(Cl)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)[nH]1 ZINC001139183363 1034996006 /nfs/dbraw/zinc/99/60/06/1034996006.db2.gz YCHBOUVHOJWDNE-UHFFFAOYSA-N 1 3 367.969 2.865 20 0 FFADHO Cc1nc(-c2ccccc2)sc1CN1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001139823212 1035243792 /nfs/dbraw/zinc/24/37/92/1035243792.db2.gz BOLKJLBUCJJJEO-UHFFFAOYSA-N 1 3 372.538 2.714 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(-c2ccccc2)no1 ZINC001228355225 1036065446 /nfs/dbraw/zinc/06/54/46/1036065446.db2.gz JFMPHMXPLGCARV-RTBURBONSA-N 1 3 370.497 2.810 20 0 FFADHO CCOC(=O)C1CC[NH+](C2CCN(Cc3c[nH]c4ccncc34)CC2)CC1 ZINC001140801580 1036180865 /nfs/dbraw/zinc/18/08/65/1036180865.db2.gz SGEJOVQTDOAVPW-UHFFFAOYSA-N 1 3 370.497 2.802 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)CC(C)(C)C)sn1 ZINC001228647224 1036230402 /nfs/dbraw/zinc/23/04/02/1036230402.db2.gz PJBVDGXSOVDYAC-IAGOWNOFSA-N 1 3 366.575 2.946 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1)CC(C)(C)C ZINC001228647542 1036230670 /nfs/dbraw/zinc/23/06/70/1036230670.db2.gz VUGGMUUSGBCSMN-HZPDHXFCSA-N 1 3 352.548 2.638 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1sc(C)nc1C ZINC001229229978 1036562936 /nfs/dbraw/zinc/56/29/36/1036562936.db2.gz FPIZBBSRYVEWRW-HZPDHXFCSA-N 1 3 352.548 2.619 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001233625870 1036699446 /nfs/dbraw/zinc/69/94/46/1036699446.db2.gz RNBKXKNWPAKJMM-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001233625870 1036699454 /nfs/dbraw/zinc/69/94/54/1036699454.db2.gz RNBKXKNWPAKJMM-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001229504223 1036711691 /nfs/dbraw/zinc/71/16/91/1036711691.db2.gz RETFXMWNYXENMY-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001229504223 1036711706 /nfs/dbraw/zinc/71/17/06/1036711706.db2.gz RETFXMWNYXENMY-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC001233739308 1036741007 /nfs/dbraw/zinc/74/10/07/1036741007.db2.gz HCDUSIBUPFSFGO-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C(C)C)nc1C ZINC001229869114 1036948832 /nfs/dbraw/zinc/94/88/32/1036948832.db2.gz XUSBXYTZXMPDDT-RTBURBONSA-N 1 3 363.550 2.631 20 0 FFADHO COc1cc(CN(C)C)cc(F)c1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001234238253 1036968975 /nfs/dbraw/zinc/96/89/75/1036968975.db2.gz JLGNWESZIBWFDN-MRXNPFEDSA-N 1 3 366.477 2.918 20 0 FFADHO CC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C)OC ZINC001230266730 1037185830 /nfs/dbraw/zinc/18/58/30/1037185830.db2.gz XGEPASCEYWFYKD-DFQSSKMNSA-N 1 3 361.530 2.804 20 0 FFADHO Cc1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284635 1037196545 /nfs/dbraw/zinc/19/65/45/1037196545.db2.gz OPUKVOGCEKCJNX-RTBURBONSA-N 1 3 361.530 2.731 20 0 FFADHO COCC[N@H+](CC(C)(C)CN(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207287359 1037317438 /nfs/dbraw/zinc/31/74/38/1037317438.db2.gz BYBCGKBGLZMMSG-QGZVFWFLSA-N 1 3 371.566 2.922 20 0 FFADHO COCC[N@@H+](CC(C)(C)CN(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207287359 1037317452 /nfs/dbraw/zinc/31/74/52/1037317452.db2.gz BYBCGKBGLZMMSG-QGZVFWFLSA-N 1 3 371.566 2.922 20 0 FFADHO c1ccc(C[NH+]2CCC(CN3CCN(c4cnccn4)CC3)CC2)cc1 ZINC001207286849 1037318287 /nfs/dbraw/zinc/31/82/87/1037318287.db2.gz NTWGQBXNUNGRLS-UHFFFAOYSA-N 1 3 351.498 2.511 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccsc2[C@H]1C ZINC001230859039 1037380047 /nfs/dbraw/zinc/38/00/47/1037380047.db2.gz QYMUKBVVXBUCJZ-LSDHHAIUSA-N 1 3 352.548 2.649 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccsc2[C@H]1C ZINC001230859039 1037380064 /nfs/dbraw/zinc/38/00/64/1037380064.db2.gz QYMUKBVVXBUCJZ-LSDHHAIUSA-N 1 3 352.548 2.649 20 0 FFADHO Cc1nc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)sc1C ZINC001276535272 1037473666 /nfs/dbraw/zinc/47/36/66/1037473666.db2.gz ADRQWRADTVTIMY-IBGZPJMESA-N 1 3 364.559 2.526 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1c(Cl)ccc(C)c1F)C2 ZINC001235338753 1037490287 /nfs/dbraw/zinc/49/02/87/1037490287.db2.gz RICPLAWVCPIKKH-IZSNYMMISA-N 1 3 366.864 2.618 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1ccc(Cl)cc1Cl)C2 ZINC001235340106 1037491467 /nfs/dbraw/zinc/49/14/67/1037491467.db2.gz YTMNEUZRTCVGGV-PXMRGAAZSA-N 1 3 369.292 2.824 20 0 FFADHO c1ccc([C@@]23CC[NH2+]C[C@@H]2CN(Cc2nc4c(s2)CNCC4)CC3)cc1 ZINC001235386674 1037518239 /nfs/dbraw/zinc/51/82/39/1037518239.db2.gz WSGHVJIGYRMPCS-UTKZUKDTSA-N 1 3 368.550 2.542 20 0 FFADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001207537502 1037530357 /nfs/dbraw/zinc/53/03/57/1037530357.db2.gz CMKASVBRSPGAEC-MISYRCLQSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001207537502 1037530360 /nfs/dbraw/zinc/53/03/60/1037530360.db2.gz CMKASVBRSPGAEC-MISYRCLQSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001207547474 1037544663 /nfs/dbraw/zinc/54/46/63/1037544663.db2.gz YDACIVFAEXGYJG-IPHXSNPTSA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001207547474 1037544674 /nfs/dbraw/zinc/54/46/74/1037544674.db2.gz YDACIVFAEXGYJG-IPHXSNPTSA-N 1 3 366.509 2.512 20 0 FFADHO COc1ccc(CN(C)Cc2cccc(CN3CC[NH2+]CC3)c2)cc1OC ZINC001235674760 1037677896 /nfs/dbraw/zinc/67/78/96/1037677896.db2.gz OCKZUQYNSYOWHO-UHFFFAOYSA-N 1 3 369.509 2.741 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C ZINC001207749647 1037690507 /nfs/dbraw/zinc/69/05/07/1037690507.db2.gz BMMZCHUYNYDBJX-IEBWSBKVSA-N 1 3 367.578 2.893 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C ZINC001207749647 1037690537 /nfs/dbraw/zinc/69/05/37/1037690537.db2.gz BMMZCHUYNYDBJX-IEBWSBKVSA-N 1 3 367.578 2.893 20 0 FFADHO COc1cc(C)c(CN2CCC(=O)N(CC[NH+](C)C)CC2)cc1C(C)C ZINC001231628659 1037748914 /nfs/dbraw/zinc/74/89/14/1037748914.db2.gz FZRUEDPNWWWKOX-UHFFFAOYSA-N 1 3 361.530 2.723 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092198 1038027018 /nfs/dbraw/zinc/02/70/18/1038027018.db2.gz LTTDBEJOXRTDEM-CEXWTWQISA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)CC1 ZINC001208106094 1038038476 /nfs/dbraw/zinc/03/84/76/1038038476.db2.gz FMNFCGLDBHDIPU-PWRODBHTSA-N 1 3 373.541 2.810 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(OC)c1Br ZINC001236321722 1038045252 /nfs/dbraw/zinc/04/52/52/1038045252.db2.gz LKAOTKNUJAEFGC-OKILXGFUSA-N 1 3 369.303 2.898 20 0 FFADHO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001255652471 1038106286 /nfs/dbraw/zinc/10/62/86/1038106286.db2.gz HSIISHPKDJKLGK-BRWVUGGUSA-N 1 3 363.468 2.588 20 0 FFADHO C[C@H](CC(F)(F)F)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001255652471 1038106296 /nfs/dbraw/zinc/10/62/96/1038106296.db2.gz HSIISHPKDJKLGK-BRWVUGGUSA-N 1 3 363.468 2.588 20 0 FFADHO Cc1ccc(F)cc1CN(Cc1nc2c(s1)CNCC2)C1CC[NH2+]CC1 ZINC001236510359 1038115029 /nfs/dbraw/zinc/11/50/29/1038115029.db2.gz VJWKSNGUGUQYHI-UHFFFAOYSA-N 1 3 374.529 2.991 20 0 FFADHO CCOC(=O)c1ncn2c1cccc2C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255677374 1038119799 /nfs/dbraw/zinc/11/97/99/1038119799.db2.gz RVJCNXVPRFAGFI-MQVJKMGUSA-N 1 3 356.470 2.616 20 0 FFADHO C[NH+](C)CC1(CN2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)CCCC1 ZINC001208186385 1038122760 /nfs/dbraw/zinc/12/27/60/1038122760.db2.gz JQLUHURQFREEJO-PZJWPPBQSA-N 1 3 357.542 2.946 20 0 FFADHO COCCOc1ccccc1N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255685248 1038128718 /nfs/dbraw/zinc/12/87/18/1038128718.db2.gz LZCBHJZNUKZAMX-YOFSQIOKSA-N 1 3 373.541 2.849 20 0 FFADHO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255870098 1038216586 /nfs/dbraw/zinc/21/65/86/1038216586.db2.gz HMALAUMEASSVCK-QGZVFWFLSA-N 1 3 371.500 2.581 20 0 FFADHO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255870098 1038216611 /nfs/dbraw/zinc/21/66/11/1038216611.db2.gz HMALAUMEASSVCK-QGZVFWFLSA-N 1 3 371.500 2.581 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001255940828 1038267316 /nfs/dbraw/zinc/26/73/16/1038267316.db2.gz HCIAYBCKVXYAKL-XLIONFOSSA-N 1 3 371.566 2.849 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001255940828 1038267319 /nfs/dbraw/zinc/26/73/19/1038267319.db2.gz HCIAYBCKVXYAKL-XLIONFOSSA-N 1 3 371.566 2.849 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001255960105 1038274402 /nfs/dbraw/zinc/27/44/02/1038274402.db2.gz QTHYUDPQKWTGHE-SFHVURJKSA-N 1 3 373.545 2.525 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001255960105 1038274415 /nfs/dbraw/zinc/27/44/15/1038274415.db2.gz QTHYUDPQKWTGHE-SFHVURJKSA-N 1 3 373.545 2.525 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001255960105 1038274422 /nfs/dbraw/zinc/27/44/22/1038274422.db2.gz QTHYUDPQKWTGHE-SFHVURJKSA-N 1 3 373.545 2.525 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccc3ncsc3c1)CC2 ZINC001278901920 1038285516 /nfs/dbraw/zinc/28/55/16/1038285516.db2.gz NVBSWAJMUABYNA-UHFFFAOYSA-N 1 3 372.538 2.672 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]CCCN1CCC(C)CC1 ZINC001255991025 1038295462 /nfs/dbraw/zinc/29/54/62/1038295462.db2.gz UUBLEFAKPHOKSP-UHFFFAOYSA-N 1 3 370.534 2.753 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001256091434 1038377908 /nfs/dbraw/zinc/37/79/08/1038377908.db2.gz RIANRNGVCJNSCL-MOPGFXCFSA-N 1 3 350.551 2.768 20 0 FFADHO CCOC(=O)N1CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001256234421 1038442670 /nfs/dbraw/zinc/44/26/70/1038442670.db2.gz OYBQYMKRJDDIHW-UHFFFAOYSA-N 1 3 360.502 2.504 20 0 FFADHO CN1CCC[C@H](C[NH+]2CCN(c3cccc(Br)c3)CC2)C1 ZINC001208612240 1038447176 /nfs/dbraw/zinc/44/71/76/1038447176.db2.gz LGAMSWVMDVMPJM-HNNXBMFYSA-N 1 3 352.320 2.913 20 0 FFADHO CC(C)(C)[NH+]1CCC(N2CCc3ncc(CN4CCCC4)n3CC2)CC1 ZINC001256574126 1038567028 /nfs/dbraw/zinc/56/70/28/1038567028.db2.gz VWBAPHXGAFKTMM-UHFFFAOYSA-N 1 3 359.562 2.600 20 0 FFADHO Cn1cnnc1C1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940681 1038595890 /nfs/dbraw/zinc/59/58/90/1038595890.db2.gz VIDVUAHJGFIYCW-IBGZPJMESA-N 1 3 353.514 2.907 20 0 FFADHO Cn1cnnc1C1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940681 1038595892 /nfs/dbraw/zinc/59/58/92/1038595892.db2.gz VIDVUAHJGFIYCW-IBGZPJMESA-N 1 3 353.514 2.907 20 0 FFADHO O=C1CC[C@H]2[C@H](CCN2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)N1CC1CC1 ZINC001208942387 1038597197 /nfs/dbraw/zinc/59/71/97/1038597197.db2.gz DCAFUUIKRKNZNY-FSSWDIPSSA-N 1 3 367.537 2.984 20 0 FFADHO O=C1CC[C@H]2[C@H](CCN2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N1CC1CC1 ZINC001208942387 1038597200 /nfs/dbraw/zinc/59/72/00/1038597200.db2.gz DCAFUUIKRKNZNY-FSSWDIPSSA-N 1 3 367.537 2.984 20 0 FFADHO CCc1ncnc2c1CC[N@H+](C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208945257 1038598940 /nfs/dbraw/zinc/59/89/40/1038598940.db2.gz MRGQWTSXYBYWAB-LJQANCHMSA-N 1 3 350.510 2.962 20 0 FFADHO CCc1ncnc2c1CC[N@@H+](C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208945257 1038598944 /nfs/dbraw/zinc/59/89/44/1038598944.db2.gz MRGQWTSXYBYWAB-LJQANCHMSA-N 1 3 350.510 2.962 20 0 FFADHO Fc1ccc(Cn2cncc2C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256681676 1038600167 /nfs/dbraw/zinc/60/01/67/1038600167.db2.gz YXTHQQKCIUZYMY-UHFFFAOYSA-N 1 3 372.488 2.804 20 0 FFADHO Cc1[nH]c(=O)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c2c1CCCC2 ZINC001256682541 1038600408 /nfs/dbraw/zinc/60/04/08/1038600408.db2.gz KQDBLQZMXKLWEU-UHFFFAOYSA-N 1 3 359.514 2.707 20 0 FFADHO Fc1cnc(OC2CC[NH+](C[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC001208956559 1038606910 /nfs/dbraw/zinc/60/69/10/1038606910.db2.gz BLHKODMFWBSNMK-SFHVURJKSA-N 1 3 370.472 2.981 20 0 FFADHO CCC1=NC2(CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C(=O)N1C ZINC001208961493 1038608378 /nfs/dbraw/zinc/60/83/78/1038608378.db2.gz GDJQVNRCXNXBKX-LJQANCHMSA-N 1 3 368.525 2.624 20 0 FFADHO CCC1=NC2(CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C(=O)N1C ZINC001208961493 1038608384 /nfs/dbraw/zinc/60/83/84/1038608384.db2.gz GDJQVNRCXNXBKX-LJQANCHMSA-N 1 3 368.525 2.624 20 0 FFADHO COCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001209049701 1038650555 /nfs/dbraw/zinc/65/05/55/1038650555.db2.gz GKVNFKRFLALMON-IRLDBZIGSA-N 1 3 373.541 2.669 20 0 FFADHO COCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001209049701 1038650560 /nfs/dbraw/zinc/65/05/60/1038650560.db2.gz GKVNFKRFLALMON-IRLDBZIGSA-N 1 3 373.541 2.669 20 0 FFADHO OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256909660 1038652891 /nfs/dbraw/zinc/65/28/91/1038652891.db2.gz USPKEYOYTNVMQW-XPNTWCBSSA-N 1 3 371.569 2.866 20 0 FFADHO Cc1ccc(CC[N@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)cc1 ZINC001276620208 1038688766 /nfs/dbraw/zinc/68/87/66/1038688766.db2.gz FUJLOFSNRRMSOP-QFIPXVFZSA-N 1 3 357.542 2.804 20 0 FFADHO Cc1ccc(CC[N@@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)cc1 ZINC001276620208 1038688769 /nfs/dbraw/zinc/68/87/69/1038688769.db2.gz FUJLOFSNRRMSOP-QFIPXVFZSA-N 1 3 357.542 2.804 20 0 FFADHO CC[C@@H]1C[C@@H](N2CCC([NH3+])(CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001257122731 1038716435 /nfs/dbraw/zinc/71/64/35/1038716435.db2.gz WCUXOJHUWNFAJM-SJORKVTESA-N 1 3 369.550 2.994 20 0 FFADHO C[NH+]1CCC(CN2CCN(CCc3cc(F)c(F)cc3F)CC2)CC1 ZINC001209256387 1038736862 /nfs/dbraw/zinc/73/68/62/1038736862.db2.gz AQIXYCWJVBGAGV-UHFFFAOYSA-N 1 3 355.448 2.606 20 0 FFADHO CC(C)[NH+]1CCC(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001257215338 1038747430 /nfs/dbraw/zinc/74/74/30/1038747430.db2.gz DPHRQAPQXUVGJM-PZJWPPBQSA-N 1 3 361.505 2.836 20 0 FFADHO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](CCCN3CCCCC3)C[C@@H]21 ZINC001209450138 1038875759 /nfs/dbraw/zinc/87/57/59/1038875759.db2.gz KBSOMXQYRMCHOU-ACRUOGEOSA-N 1 3 370.541 2.904 20 0 FFADHO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@H+](CCCN3CCCCC3)C[C@@H]21 ZINC001209450138 1038875780 /nfs/dbraw/zinc/87/57/80/1038875780.db2.gz KBSOMXQYRMCHOU-ACRUOGEOSA-N 1 3 370.541 2.904 20 0 FFADHO COCCC1([NH3+])CCN([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001257578295 1038876121 /nfs/dbraw/zinc/87/61/21/1038876121.db2.gz NMMRIWMAZJIPEB-BJWYYQGGSA-N 1 3 369.550 2.993 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN(C2CCC(C(=O)OC)CC2)CC1 ZINC001257868698 1039031364 /nfs/dbraw/zinc/03/13/64/1039031364.db2.gz NXOHYEPOFRFBKY-UHFFFAOYSA-N 1 3 367.578 2.848 20 0 FFADHO CC(C)CN1CCC([NH2+]CC2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001258008468 1039108260 /nfs/dbraw/zinc/10/82/60/1039108260.db2.gz VGDWMSMWUMPXCZ-UHFFFAOYSA-N 1 3 358.530 2.644 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001251412526 1039118347 /nfs/dbraw/zinc/11/83/47/1039118347.db2.gz ODOXCHKACOWWPR-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cnccc2N)CC3)c1 ZINC001209730470 1039166106 /nfs/dbraw/zinc/16/61/06/1039166106.db2.gz LJBZTIAITVPVSN-UHFFFAOYSA-N 1 3 366.509 2.991 20 0 FFADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cnccc2N)CC3)c1 ZINC001209730470 1039166113 /nfs/dbraw/zinc/16/61/13/1039166113.db2.gz LJBZTIAITVPVSN-UHFFFAOYSA-N 1 3 366.509 2.991 20 0 FFADHO C[C@@H]1CC[C@H](CNC[C@@H](O)COCc2c(Cl)cccc2Cl)C[NH2+]1 ZINC001245972998 1039171127 /nfs/dbraw/zinc/17/11/27/1039171127.db2.gz IZONDEAHQOCVRP-MGPQQGTHSA-N 1 3 361.313 2.849 20 0 FFADHO Cc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246011299 1039191525 /nfs/dbraw/zinc/19/15/25/1039191525.db2.gz QXOVILCVXVKNBK-YXKWSERDSA-N 1 3 352.400 2.994 20 0 FFADHO N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001246015974 1039193664 /nfs/dbraw/zinc/19/36/64/1039193664.db2.gz CYIVYIZCMGTXKP-LESCRADOSA-N 1 3 353.466 2.920 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001246034888 1039209634 /nfs/dbraw/zinc/20/96/34/1039209634.db2.gz OJDMMKCTKCCMKJ-APWZRJJASA-N 1 3 362.514 2.563 20 0 FFADHO Cc1ccccc1O[C@H]1CCC[N@H+](C[C@@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC001246042240 1039212191 /nfs/dbraw/zinc/21/21/91/1039212191.db2.gz DSESEDYETFHONM-PCCBWWKXSA-N 1 3 354.494 2.769 20 0 FFADHO Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC001246042240 1039212204 /nfs/dbraw/zinc/21/22/04/1039212204.db2.gz DSESEDYETFHONM-PCCBWWKXSA-N 1 3 354.494 2.769 20 0 FFADHO COc1cccc(C[C@H](CO)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258135364 1039213102 /nfs/dbraw/zinc/21/31/02/1039213102.db2.gz CTTGMDUCDOCCQM-JOCHJYFZSA-N 1 3 368.521 2.895 20 0 FFADHO c1ccc(C[C@H]2C[C@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CCN2)cc1 ZINC001246171482 1039264426 /nfs/dbraw/zinc/26/44/26/1039264426.db2.gz QIUOYHQDTPHWJS-YADHBBJMSA-N 1 3 371.569 2.974 20 0 FFADHO CC[C@@H]1C[C@H](N[C@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246266221 1039292380 /nfs/dbraw/zinc/29/23/80/1039292380.db2.gz FZKWSYHCLUSIJB-OAGGEKHMSA-N 1 3 370.278 2.879 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+][C@H](CO)Cc2ccc(OCc3ccccc3)cc2)CN1 ZINC001246454698 1039358618 /nfs/dbraw/zinc/35/86/18/1039358618.db2.gz FLFGSJQSICAHDT-UIFIKXQLSA-N 1 3 354.494 2.899 20 0 FFADHO NC[C@@]1(O)CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001246555034 1039395126 /nfs/dbraw/zinc/39/51/26/1039395126.db2.gz AQDBPWKABKRVEJ-LRSLUSHPSA-N 1 3 357.542 2.748 20 0 FFADHO NC[C@@]1(O)CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001246555034 1039395146 /nfs/dbraw/zinc/39/51/46/1039395146.db2.gz AQDBPWKABKRVEJ-LRSLUSHPSA-N 1 3 357.542 2.748 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001246637046 1039424782 /nfs/dbraw/zinc/42/47/82/1039424782.db2.gz XEWPPLHXZIAQIZ-QAPCUYQASA-N 1 3 371.447 2.934 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCNC[C@@]2(CCCCN2)C1 ZINC001246637046 1039424790 /nfs/dbraw/zinc/42/47/90/1039424790.db2.gz XEWPPLHXZIAQIZ-QAPCUYQASA-N 1 3 371.447 2.934 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCNC[C@@]2(CCCCN2)C1 ZINC001246637046 1039424798 /nfs/dbraw/zinc/42/47/98/1039424798.db2.gz XEWPPLHXZIAQIZ-QAPCUYQASA-N 1 3 371.447 2.934 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001246637577 1039424991 /nfs/dbraw/zinc/42/49/91/1039424991.db2.gz YQNAQIZKAOHSOI-MAUKXSAKSA-N 1 3 366.347 2.798 20 0 FFADHO CC(C)(C)[C@H]1C[C@H](N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246725834 1039452614 /nfs/dbraw/zinc/45/26/14/1039452614.db2.gz RTRDNSNXLDBWRC-NUABRCLCSA-N 1 3 359.514 2.859 20 0 FFADHO Brc1ccc2ncc(Nc3ccnc(N4CC[NH2+]CC4)c3)n2c1 ZINC001210262729 1039454474 /nfs/dbraw/zinc/45/44/74/1039454474.db2.gz PHJMGWGCZFDKJN-UHFFFAOYSA-N 1 3 373.258 2.645 20 0 FFADHO O=C(C1=CC2(CCN(C3CC[NH2+]CC3)CC2)c2ccccc21)N1CCCC1 ZINC001246750882 1039464127 /nfs/dbraw/zinc/46/41/27/1039464127.db2.gz VYKPDLVCDJXRCX-UHFFFAOYSA-N 1 3 365.521 2.792 20 0 FFADHO O=C(C1=CC2(CC[NH+](C3CCNCC3)CC2)c2ccccc21)N1CCCC1 ZINC001246750882 1039464129 /nfs/dbraw/zinc/46/41/29/1039464129.db2.gz VYKPDLVCDJXRCX-UHFFFAOYSA-N 1 3 365.521 2.792 20 0 FFADHO CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753889 1039465104 /nfs/dbraw/zinc/46/51/04/1039465104.db2.gz DMTPMEUXNXYDLJ-MXEMCNAFSA-N 1 3 350.547 2.918 20 0 FFADHO CC(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753889 1039465106 /nfs/dbraw/zinc/46/51/06/1039465106.db2.gz DMTPMEUXNXYDLJ-MXEMCNAFSA-N 1 3 350.547 2.918 20 0 FFADHO c1nc(CNC2CCCC2)c2n1CCCN([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246772882 1039473643 /nfs/dbraw/zinc/47/36/43/1039473643.db2.gz RNFSSHKHRTVRNQ-SFHVURJKSA-N 1 3 357.546 2.796 20 0 FFADHO C[C@H]1C[C@H](N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC(C)(C)C1 ZINC001258695696 1039484074 /nfs/dbraw/zinc/48/40/74/1039484074.db2.gz FRNDWZWMCLJACL-GJZGRUSLSA-N 1 3 362.518 2.539 20 0 FFADHO CCC[NH+]1CCC(N2CCN3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)CC1 ZINC001258773407 1039507372 /nfs/dbraw/zinc/50/73/72/1039507372.db2.gz JDAKTVMPAAIPJY-FCHUYYIVSA-N 1 3 372.557 2.540 20 0 FFADHO COC(=O)c1ccc(C[C@H](C)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001246878222 1039514831 /nfs/dbraw/zinc/51/48/31/1039514831.db2.gz JYMLZAWMZANZDL-LXBDKUERSA-N 1 3 364.489 2.877 20 0 FFADHO COCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210426653 1039540981 /nfs/dbraw/zinc/54/09/81/1039540981.db2.gz KCBSHEUYRQANLA-YLJYHZDGSA-N 1 3 361.530 2.501 20 0 FFADHO CO[C@H](CN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001210427463 1039541247 /nfs/dbraw/zinc/54/12/47/1039541247.db2.gz UCGCOWVCEKUHDZ-MISYRCLQSA-N 1 3 361.530 2.543 20 0 FFADHO COc1ccccc1C[C@H](C)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258882090 1039559323 /nfs/dbraw/zinc/55/93/23/1039559323.db2.gz LMPYWUVFOWQIPV-WMLDXEAASA-N 1 3 351.491 2.806 20 0 FFADHO COc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)cc1 ZINC001252717578 1039660270 /nfs/dbraw/zinc/66/02/70/1039660270.db2.gz HLXKBPIIINFGFN-IPMKNSEASA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)cc1 ZINC001252717578 1039660283 /nfs/dbraw/zinc/66/02/83/1039660283.db2.gz HLXKBPIIINFGFN-IPMKNSEASA-N 1 3 362.514 2.774 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2 ZINC001253193716 1040034998 /nfs/dbraw/zinc/03/49/98/1040034998.db2.gz HZJPSFDGMIYPMD-FCGDIQPGSA-N 1 3 363.550 2.581 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2 ZINC001253193716 1040035015 /nfs/dbraw/zinc/03/50/15/1040035015.db2.gz HZJPSFDGMIYPMD-FCGDIQPGSA-N 1 3 363.550 2.581 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC001253207446 1040046109 /nfs/dbraw/zinc/04/61/09/1040046109.db2.gz HUNSZTNBTIIBIO-SFHVURJKSA-N 1 3 353.938 2.597 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[N@H+]3CCC[C@H](C)C3)C2)cc1 ZINC001211296435 1040068431 /nfs/dbraw/zinc/06/84/31/1040068431.db2.gz NFMUPGCLVVOMQB-AZUAARDMSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC001211296435 1040068451 /nfs/dbraw/zinc/06/84/51/1040068451.db2.gz NFMUPGCLVVOMQB-AZUAARDMSA-N 1 3 358.530 2.600 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374328 1040118614 /nfs/dbraw/zinc/11/86/14/1040118614.db2.gz DJUXYMMEGKVNPV-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC001253376776 1040141798 /nfs/dbraw/zinc/14/17/98/1040141798.db2.gz LLFWPHAIUVOINN-FQEVSTJZSA-N 1 3 361.436 2.895 20 0 FFADHO CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253397203 1040153391 /nfs/dbraw/zinc/15/33/91/1040153391.db2.gz MOWPTJAXBWCDDU-DLBZAZTESA-N 1 3 371.566 2.704 20 0 FFADHO CCC[N@H+](C[C@H](O)CNC(C)(C)C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253397203 1040153398 /nfs/dbraw/zinc/15/33/98/1040153398.db2.gz MOWPTJAXBWCDDU-DLBZAZTESA-N 1 3 371.566 2.704 20 0 FFADHO CCC[N@@H+](C[C@H](O)CNC(C)(C)C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253397203 1040153407 /nfs/dbraw/zinc/15/34/07/1040153407.db2.gz MOWPTJAXBWCDDU-DLBZAZTESA-N 1 3 371.566 2.704 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001253945724 1040466260 /nfs/dbraw/zinc/46/62/60/1040466260.db2.gz CGQODDFZYCXHDC-LEWJYISDSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001253945724 1040466269 /nfs/dbraw/zinc/46/62/69/1040466269.db2.gz CGQODDFZYCXHDC-LEWJYISDSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C(C)C)C[C@@H]1C ZINC001254030312 1040533808 /nfs/dbraw/zinc/53/38/08/1040533808.db2.gz MELUXXXCGBVHGK-OTWHNJEPSA-N 1 3 364.530 2.922 20 0 FFADHO CC1CCN(CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)CC1 ZINC001254227386 1040623488 /nfs/dbraw/zinc/62/34/88/1040623488.db2.gz FEXWAZVBTJPNCI-MRXNPFEDSA-N 1 3 353.507 2.624 20 0 FFADHO CC1CC[NH+](CCCN[C@@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)CC1 ZINC001254227386 1040623498 /nfs/dbraw/zinc/62/34/98/1040623498.db2.gz FEXWAZVBTJPNCI-MRXNPFEDSA-N 1 3 353.507 2.624 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccccc1Br)CC2 ZINC001278517684 1040861305 /nfs/dbraw/zinc/86/13/05/1040861305.db2.gz PINNBOGOQNWYLD-UHFFFAOYSA-N 1 3 366.347 2.909 20 0 FFADHO C[N@H+](CCCN1CCCC1)[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254703472 1040892161 /nfs/dbraw/zinc/89/21/61/1040892161.db2.gz QRCMBEJXIYHCEG-INIZCTEOSA-N 1 3 369.575 2.899 20 0 FFADHO C[N@@H+](CCCN1CCCC1)[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254703472 1040892176 /nfs/dbraw/zinc/89/21/76/1040892176.db2.gz QRCMBEJXIYHCEG-INIZCTEOSA-N 1 3 369.575 2.899 20 0 FFADHO CCCN1C[C@@H]2C[NH+]([C@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@H]2C1 ZINC001254913338 1041043360 /nfs/dbraw/zinc/04/33/60/1041043360.db2.gz OUQMFHRCHPLEEC-RHQZKXFESA-N 1 3 363.546 2.906 20 0 FFADHO CCCCN(C)CCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255049305 1041120274 /nfs/dbraw/zinc/12/02/74/1041120274.db2.gz CTBQJLRFWDQNAF-AYHJJNSGSA-N 1 3 369.550 2.865 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CCN1Cc1ccccc1 ZINC001261376693 1041198958 /nfs/dbraw/zinc/19/89/58/1041198958.db2.gz WMHFIFYMPXXVDF-AZUAARDMSA-N 1 3 370.541 2.825 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC(N3CCC(OC)CC3)CC2)C1 ZINC001255376616 1041305949 /nfs/dbraw/zinc/30/59/49/1041305949.db2.gz DKUWZLTUWSWGLO-WMZOPIPTSA-N 1 3 352.519 2.684 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3cccc(F)c3Cl)C[C@H]2CC1 ZINC001278600309 1041368777 /nfs/dbraw/zinc/36/87/77/1041368777.db2.gz JPIVAYOGUYOCDG-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3cccc(F)c3Cl)C[C@H]2CC1 ZINC001278600309 1041368787 /nfs/dbraw/zinc/36/87/87/1041368787.db2.gz JPIVAYOGUYOCDG-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC001214634196 1041512758 /nfs/dbraw/zinc/51/27/58/1041512758.db2.gz FCXOYJMRIYBZMT-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCOc2ccccc2)C1)N(C)C ZINC001214952593 1041629224 /nfs/dbraw/zinc/62/92/24/1041629224.db2.gz COYAJZXRYMRZGF-MISYRCLQSA-N 1 3 361.530 2.622 20 0 FFADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1NCc1ccccc1F ZINC001215015443 1041646658 /nfs/dbraw/zinc/64/66/58/1041646658.db2.gz TWFGZSFLTMFAAF-OXQOHEQNSA-N 1 3 370.472 2.684 20 0 FFADHO Cn1nc(C(=O)OC(C)(C)C)cc1CN1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262378634 1041667077 /nfs/dbraw/zinc/66/70/77/1041667077.db2.gz HGAYFMHBQZHDMQ-ARFHVFGLSA-N 1 3 362.518 2.538 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC001215993730 1041925046 /nfs/dbraw/zinc/92/50/46/1041925046.db2.gz CLSMGCDGTUSGJM-VQIMIIECSA-N 1 3 354.498 2.513 20 0 FFADHO COc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380282281 1042324244 /nfs/dbraw/zinc/32/42/44/1042324244.db2.gz PTFVXCOANMIJCR-PMACEKPBSA-N 1 3 370.493 2.547 20 0 FFADHO COc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380282281 1042324248 /nfs/dbraw/zinc/32/42/48/1042324248.db2.gz PTFVXCOANMIJCR-PMACEKPBSA-N 1 3 370.493 2.547 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3F)C2)C1 ZINC001263919489 1042531973 /nfs/dbraw/zinc/53/19/73/1042531973.db2.gz UVRLVGIYNKDNAA-RLFYNMQTSA-N 1 3 365.468 2.681 20 0 FFADHO CCN(C/C=C/Cl)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001265134363 1042844447 /nfs/dbraw/zinc/84/44/47/1042844447.db2.gz RQQHMRXOYYCFNN-ZWQQMPCFSA-N 1 3 363.933 2.913 20 0 FFADHO CCN(C/C=C/Cl)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001265134363 1042844449 /nfs/dbraw/zinc/84/44/49/1042844449.db2.gz RQQHMRXOYYCFNN-ZWQQMPCFSA-N 1 3 363.933 2.913 20 0 FFADHO CCOc1ccc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001279303796 1042991885 /nfs/dbraw/zinc/99/18/85/1042991885.db2.gz PREBTGOZZBODRZ-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO CCOc1ccc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001279303796 1042991888 /nfs/dbraw/zinc/99/18/88/1042991888.db2.gz PREBTGOZZBODRZ-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO COC(=O)c1ccc(CC2CC[NH+](Cc3ccc4n3CCNC4)CC2)cc1 ZINC001237204221 1043052073 /nfs/dbraw/zinc/05/20/73/1043052073.db2.gz LXSXSZIJCFIFRV-UHFFFAOYSA-N 1 3 367.493 2.833 20 0 FFADHO Cc1cc(C[N@@H+]2CCC3(C2)CCN(Cc2cncc(F)c2)CC3)n(C)n1 ZINC001279413486 1043076659 /nfs/dbraw/zinc/07/66/59/1043076659.db2.gz INRYOSRYLGDBDW-UHFFFAOYSA-N 1 3 357.477 2.751 20 0 FFADHO Cc1cc(C[N@H+]2CCC3(C2)CCN(Cc2cncc(F)c2)CC3)n(C)n1 ZINC001279413486 1043076672 /nfs/dbraw/zinc/07/66/72/1043076672.db2.gz INRYOSRYLGDBDW-UHFFFAOYSA-N 1 3 357.477 2.751 20 0 FFADHO C[NH+](C)CCN1CC2(CN(CCCc3cccc(C(F)(F)F)c3)C2)C1 ZINC001279468570 1043151764 /nfs/dbraw/zinc/15/17/64/1043151764.db2.gz ISLDGTZGXVMZTE-UHFFFAOYSA-N 1 3 355.448 2.817 20 0 FFADHO Cc1ccc([C@@H](C)CCN2CCC[C@]3(C2)CN(CC[NH+](C)C)CCO3)o1 ZINC001279490173 1043176423 /nfs/dbraw/zinc/17/64/23/1043176423.db2.gz PQGSRCRGSSYVIQ-RXVVDRJESA-N 1 3 363.546 2.810 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2c(C)noc2C)CC3)n(C)n1 ZINC001279572037 1043276200 /nfs/dbraw/zinc/27/62/00/1043276200.db2.gz DQRRYPJOTUEWLT-UHFFFAOYSA-N 1 3 357.502 2.821 20 0 FFADHO Cc1nc(N)ccc1CN1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279589966 1043303386 /nfs/dbraw/zinc/30/33/86/1043303386.db2.gz RPEBMZBBSXJQRO-UHFFFAOYSA-N 1 3 354.502 2.574 20 0 FFADHO Cc1nc(N)ccc1CN1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279589966 1043303395 /nfs/dbraw/zinc/30/33/95/1043303395.db2.gz RPEBMZBBSXJQRO-UHFFFAOYSA-N 1 3 354.502 2.574 20 0 FFADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CC3)CC(=O)NC(=O)C4)cc21 ZINC001237887213 1043417638 /nfs/dbraw/zinc/41/76/38/1043417638.db2.gz SRFMUAZSDSZVHZ-UHFFFAOYSA-N 1 3 367.493 2.707 20 0 FFADHO CC(C)C1=NCCc2ccc(CN3CCN(CCC[NH+](C)C)CC3)cc21 ZINC001237886653 1043417853 /nfs/dbraw/zinc/41/78/53/1043417853.db2.gz PLNGOZKSNQPDQK-UHFFFAOYSA-N 1 3 356.558 2.757 20 0 FFADHO C[N@H+]1CC[C@H]2CN(Cc3c4c(ccc3Br)OCO4)C[C@H]2CC1 ZINC001279706266 1043501407 /nfs/dbraw/zinc/50/14/07/1043501407.db2.gz ODYOKGRFOQDWIB-BETUJISGSA-N 1 3 367.287 2.951 20 0 FFADHO C[N@@H+]1CC[C@H]2CN(Cc3c4c(ccc3Br)OCO4)C[C@H]2CC1 ZINC001279706266 1043501416 /nfs/dbraw/zinc/50/14/16/1043501416.db2.gz ODYOKGRFOQDWIB-BETUJISGSA-N 1 3 367.287 2.951 20 0 FFADHO C[C@H]1CN(c2ccc(CN3CCC4(CC[N@H+](C)C4)CC3)cn2)C[C@H](C)O1 ZINC001279709539 1043509470 /nfs/dbraw/zinc/50/94/70/1043509470.db2.gz GPYUNAMVGTVFJM-ROUUACIJSA-N 1 3 358.530 2.613 20 0 FFADHO C[C@H]1CN(c2ccc(CN3CCC4(CC[N@@H+](C)C4)CC3)cn2)C[C@H](C)O1 ZINC001279709539 1043509482 /nfs/dbraw/zinc/50/94/82/1043509482.db2.gz GPYUNAMVGTVFJM-ROUUACIJSA-N 1 3 358.530 2.613 20 0 FFADHO CCCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC001311397634 1043907911 /nfs/dbraw/zinc/90/79/11/1043907911.db2.gz VLBSSWOFYFOAJA-RTWAWAEBSA-N 1 3 372.557 2.949 20 0 FFADHO CCCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC001311397634 1043907917 /nfs/dbraw/zinc/90/79/17/1043907917.db2.gz VLBSSWOFYFOAJA-RTWAWAEBSA-N 1 3 372.557 2.949 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311401521 1043909712 /nfs/dbraw/zinc/90/97/12/1043909712.db2.gz WUTCTHHZIPLZID-QRVBRYPASA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001311401521 1043909718 /nfs/dbraw/zinc/90/97/18/1043909718.db2.gz WUTCTHHZIPLZID-QRVBRYPASA-N 1 3 360.546 2.927 20 0 FFADHO CC1(C)CC[N@H+](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001311562014 1043937264 /nfs/dbraw/zinc/93/72/64/1043937264.db2.gz COWYNEWUEJLYEJ-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC1(C)CC[N@@H+](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001311562014 1043937269 /nfs/dbraw/zinc/93/72/69/1043937269.db2.gz COWYNEWUEJLYEJ-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@@H]2CC23CCN(Cc2cccc(F)c2)CC3)CC1 ZINC001280002289 1044071136 /nfs/dbraw/zinc/07/11/36/1044071136.db2.gz PFRFVCFUKFSWLH-IBGZPJMESA-N 1 3 359.489 2.638 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)CN1Cc1ccccc1 ZINC001312252854 1044077979 /nfs/dbraw/zinc/07/79/79/1044077979.db2.gz ITKMZZYKIGFQDF-PKOBYXMFSA-N 1 3 360.546 2.879 20 0 FFADHO Cc1cccc(C)c1CN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001280014684 1044087663 /nfs/dbraw/zinc/08/76/63/1044087663.db2.gz QYJHRJWULLCDQZ-FQEVSTJZSA-N 1 3 355.526 2.678 20 0 FFADHO CN(C)CCN(C(=O)Oc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC001239339871 1044100582 /nfs/dbraw/zinc/10/05/82/1044100582.db2.gz BNMGWWSPLAMIGF-ZDUSSCGKSA-N 1 3 359.392 2.820 20 0 FFADHO CCc1ccccc1CN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001280094940 1044198487 /nfs/dbraw/zinc/19/84/87/1044198487.db2.gz CHOYXCLKKAPVAF-FQEVSTJZSA-N 1 3 355.526 2.624 20 0 FFADHO CN1CCN(c2ccc(-c3ccc(CN4CC[C@H]([NH3+])C4)cc3)cc2)CC1 ZINC001240855238 1044452341 /nfs/dbraw/zinc/45/23/41/1044452341.db2.gz SFVKJFOTQKZOIZ-NRFANRHFSA-N 1 3 350.510 2.638 20 0 FFADHO C[NH+](C)C1CCN(C(=O)c2ccc3c(n2)CCN(CC(C)(C)C)C3)CC1 ZINC001280242278 1044456577 /nfs/dbraw/zinc/45/65/77/1044456577.db2.gz CWZKPIFSMPYBAU-UHFFFAOYSA-N 1 3 358.530 2.652 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)cc1 ZINC001319083458 1045017957 /nfs/dbraw/zinc/01/79/57/1045017957.db2.gz OHDMESJMBQUBKN-NQIIRXRSSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)cc1 ZINC001319083458 1045017968 /nfs/dbraw/zinc/01/79/68/1045017968.db2.gz OHDMESJMBQUBKN-NQIIRXRSSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccncc3)n2)[NH+]2CCCC2)o1 ZINC001320812032 1045473340 /nfs/dbraw/zinc/47/33/40/1045473340.db2.gz FVUHITQHVDFRDP-SFHVURJKSA-N 1 3 365.437 2.736 20 0 FFADHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)N1[C@H](C)CC[C@H]1C ZINC001320823886 1045475698 /nfs/dbraw/zinc/47/56/98/1045475698.db2.gz ZJUYSEFIAPSMDI-BRWVUGGUSA-N 1 3 359.514 2.843 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322741148 1046206340 /nfs/dbraw/zinc/20/63/40/1046206340.db2.gz TYEYVTCIIXOUAI-RBUKOAKNSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001322845532 1046245154 /nfs/dbraw/zinc/24/51/54/1046245154.db2.gz NTSQQZZKMUYQIV-UXPWSPDFSA-N 1 3 373.545 2.779 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001326040396 1046739098 /nfs/dbraw/zinc/73/90/98/1046739098.db2.gz WVZBGFYRNQMGRL-QFBILLFUSA-N 1 3 352.482 2.804 20 0 FFADHO N[C@H](CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001333732142 1049086669 /nfs/dbraw/zinc/08/66/69/1049086669.db2.gz JOOHXQMVMDVMCO-LEWJYISDSA-N 1 3 364.493 3.000 20 0 FFADHO N[C@H](CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001333732142 1049086682 /nfs/dbraw/zinc/08/66/82/1049086682.db2.gz JOOHXQMVMDVMCO-LEWJYISDSA-N 1 3 364.493 3.000 20 0 FFADHO N[C@@H](CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001333732144 1049087302 /nfs/dbraw/zinc/08/73/02/1049087302.db2.gz JOOHXQMVMDVMCO-RTWAWAEBSA-N 1 3 364.493 3.000 20 0 FFADHO N[C@@H](CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001333732144 1049087318 /nfs/dbraw/zinc/08/73/18/1049087318.db2.gz JOOHXQMVMDVMCO-RTWAWAEBSA-N 1 3 364.493 3.000 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001341555910 1050184175 /nfs/dbraw/zinc/18/41/75/1050184175.db2.gz PTIDRNFWPNZFCY-JRGCBEDISA-N 1 3 371.525 2.750 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ncoc1C1CC[NH2+]CC1 ZINC001341615500 1050243466 /nfs/dbraw/zinc/24/34/66/1050243466.db2.gz UJGIHUJLNUNPLW-SFHVURJKSA-N 1 3 368.481 2.536 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CCC34CCC4)cc2)CC1 ZINC001340111734 1050516605 /nfs/dbraw/zinc/51/66/05/1050516605.db2.gz HQNTXZOBQKGUQN-LJQANCHMSA-N 1 3 356.514 2.547 20 0 FFADHO [NH3+]C[C@H](NC(=O)c1cc2c(s1)CNCC2)c1ccc2ccccc2c1 ZINC001340923009 1051251952 /nfs/dbraw/zinc/25/19/52/1051251952.db2.gz ORSFLWZQBBDIIH-KRWDZBQOSA-N 1 3 351.475 2.977 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C[C@H]3COCCN3)c3ccccc32)C1 ZINC001342875845 1051484913 /nfs/dbraw/zinc/48/49/13/1051484913.db2.gz OTJPROLDEMWSOH-OTWHNJEPSA-N 1 3 371.525 2.617 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C[C@H]3COCCN3)c3ccccc32)C1 ZINC001342875845 1051484920 /nfs/dbraw/zinc/48/49/20/1051484920.db2.gz OTJPROLDEMWSOH-OTWHNJEPSA-N 1 3 371.525 2.617 20 0 FFADHO CCN1C[C@H](NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)C(C)(C)C1 ZINC001304041279 1051512369 /nfs/dbraw/zinc/51/23/69/1051512369.db2.gz KMXGICBZVLNGJF-IBGZPJMESA-N 1 3 361.530 2.867 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001304851299 1051738955 /nfs/dbraw/zinc/73/89/55/1051738955.db2.gz KYISPDIZMRUPHE-UHFFFAOYSA-N 1 3 370.545 2.639 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001304851299 1051738960 /nfs/dbraw/zinc/73/89/60/1051738960.db2.gz KYISPDIZMRUPHE-UHFFFAOYSA-N 1 3 370.545 2.639 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)[C@@H](C)C1 ZINC001345100840 1052258088 /nfs/dbraw/zinc/25/80/88/1052258088.db2.gz ZXUFQTOQUXSIJN-WDSOQIARSA-N 1 3 374.577 2.664 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)[C@@H](C)C1 ZINC001345100840 1052258094 /nfs/dbraw/zinc/25/80/94/1052258094.db2.gz ZXUFQTOQUXSIJN-WDSOQIARSA-N 1 3 374.577 2.664 20 0 FFADHO COCC[C@H](CNC[C@H](C)C[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC001308216712 1052432590 /nfs/dbraw/zinc/43/25/90/1052432590.db2.gz XORYUVKZIATSFD-DLBZAZTESA-N 1 3 357.539 2.628 20 0 FFADHO COCC[C@H](C[NH2+]C[C@H](C)CN1CCCCC1)NC(=O)OC(C)(C)C ZINC001308216712 1052432595 /nfs/dbraw/zinc/43/25/95/1052432595.db2.gz XORYUVKZIATSFD-DLBZAZTESA-N 1 3 357.539 2.628 20 0 FFADHO CCCC[NH+]1CCC(NC[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC001308228408 1052433654 /nfs/dbraw/zinc/43/36/54/1052433654.db2.gz PCAVTHRBEPALLB-QGZVFWFLSA-N 1 3 357.539 2.770 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001308554355 1052468564 /nfs/dbraw/zinc/46/85/64/1052468564.db2.gz OSIBFEMLAMWFHB-NUEKZKHPSA-N 1 3 358.438 2.658 20 0 FFADHO CC[C@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001308775694 1052499027 /nfs/dbraw/zinc/49/90/27/1052499027.db2.gz RRDFNFNCYYNCQV-ZRZPHAQCSA-N 1 3 369.550 2.913 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001542935644 1071338418 /nfs/dbraw/zinc/33/84/18/1071338418.db2.gz HEBMFSXNFWUPFC-RTWAWAEBSA-N 1 3 351.494 2.710 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001542935644 1071338424 /nfs/dbraw/zinc/33/84/24/1071338424.db2.gz HEBMFSXNFWUPFC-RTWAWAEBSA-N 1 3 351.494 2.710 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC001334860500 1053121257 /nfs/dbraw/zinc/12/12/57/1053121257.db2.gz YZSAOUHFDCGPPB-HSALFYBXSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC001334860500 1053121265 /nfs/dbraw/zinc/12/12/65/1053121265.db2.gz YZSAOUHFDCGPPB-HSALFYBXSA-N 1 3 355.526 2.888 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001335359348 1053314119 /nfs/dbraw/zinc/31/41/19/1053314119.db2.gz BBJOAUSCJHIEMX-APWZRJJASA-N 1 3 362.543 2.813 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001336733216 1054174709 /nfs/dbraw/zinc/17/47/09/1054174709.db2.gz KXQHBPFIASNCQN-ZDUSSCGKSA-N 1 3 369.893 2.617 20 0 FFADHO CC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001336733216 1054174718 /nfs/dbraw/zinc/17/47/18/1054174718.db2.gz KXQHBPFIASNCQN-ZDUSSCGKSA-N 1 3 369.893 2.617 20 0 FFADHO CCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001336733216 1054174727 /nfs/dbraw/zinc/17/47/27/1054174727.db2.gz KXQHBPFIASNCQN-ZDUSSCGKSA-N 1 3 369.893 2.617 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)N2CCCC2)cc1 ZINC001336778923 1054219382 /nfs/dbraw/zinc/21/93/82/1054219382.db2.gz DSRCYDNEVRFCCS-RLLQIKCJSA-N 1 3 358.530 2.758 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001349354173 1055204656 /nfs/dbraw/zinc/20/46/56/1055204656.db2.gz CJOKWNCXCAQAME-REHHDOPLSA-N 1 3 370.541 2.844 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001349354173 1055204663 /nfs/dbraw/zinc/20/46/63/1055204663.db2.gz CJOKWNCXCAQAME-REHHDOPLSA-N 1 3 370.541 2.844 20 0 FFADHO Cc1cc(C)n(CCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849055042 1055605937 /nfs/dbraw/zinc/60/59/37/1055605937.db2.gz UQZCSKWRBGNSPK-UHFFFAOYSA-N 1 3 368.529 2.669 20 0 FFADHO CO[C@@H](CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000849088923 1055635213 /nfs/dbraw/zinc/63/52/13/1055635213.db2.gz YAOJGPHNAATAAW-INIZCTEOSA-N 1 3 372.435 2.732 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000849088558 1055635334 /nfs/dbraw/zinc/63/53/34/1055635334.db2.gz PNSNBIAOMOJQCG-LEWJYISDSA-N 1 3 366.509 2.985 20 0 FFADHO CC(C)(C[NH3+])CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001357413324 1055895876 /nfs/dbraw/zinc/89/58/76/1055895876.db2.gz HGUFAMHTEMYOSY-UHFFFAOYSA-N 1 3 367.921 2.674 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001357490998 1055923193 /nfs/dbraw/zinc/92/31/93/1055923193.db2.gz PQUGMGFSAABIAC-JFIYKMOQSA-N 1 3 357.498 2.646 20 0 FFADHO O[C@@H](CN1CCCC2(CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC001350909072 1055994306 /nfs/dbraw/zinc/99/43/06/1055994306.db2.gz HQYIAZUIKKJDKX-INIZCTEOSA-N 1 3 353.304 2.948 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001339575884 1056600068 /nfs/dbraw/zinc/60/00/68/1056600068.db2.gz LYHDDPLXGKZMJB-FQEVSTJZSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001339575884 1056600078 /nfs/dbraw/zinc/60/00/78/1056600078.db2.gz LYHDDPLXGKZMJB-FQEVSTJZSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@@](O)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849099273 1056759199 /nfs/dbraw/zinc/75/91/99/1056759199.db2.gz KKMZQCPXLATKIV-JOCHJYFZSA-N 1 3 366.509 2.673 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000849348818 1056836108 /nfs/dbraw/zinc/83/61/08/1056836108.db2.gz QNYWJBXIPFHCNM-LJQANCHMSA-N 1 3 374.529 2.893 20 0 FFADHO S=C(NCCN1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001200440056 1058183123 /nfs/dbraw/zinc/18/31/23/1058183123.db2.gz HBAMQHUSKLFOFE-UHFFFAOYSA-N 1 3 374.598 2.644 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001502245302 1058792112 /nfs/dbraw/zinc/79/21/12/1058792112.db2.gz RPPGMLMASNXRLS-ZWKOTPCHSA-N 1 3 362.566 2.806 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC2CC[NH+](CC)CC2)C[C@@H]1C ZINC001502266489 1058799486 /nfs/dbraw/zinc/79/94/86/1058799486.db2.gz RYGUTIXQHDMBKI-IRXDYDNUSA-N 1 3 362.566 2.627 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(ccnc2Cl)s1 ZINC001300646927 1059140534 /nfs/dbraw/zinc/14/05/34/1059140534.db2.gz NLSAXRFACILMSO-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(ccnc2Cl)s1 ZINC001300646927 1059140546 /nfs/dbraw/zinc/14/05/46/1059140546.db2.gz NLSAXRFACILMSO-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H](CNCc2cccc(F)c2F)C2CC2)CC[N@@H+]1C ZINC001507011892 1059588180 /nfs/dbraw/zinc/58/81/80/1059588180.db2.gz HIDCBGPKDZPSJN-MZMPZRCHSA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H](CNCc2cccc(F)c2F)C2CC2)CC[N@H+]1C ZINC001507011892 1059588193 /nfs/dbraw/zinc/58/81/93/1059588193.db2.gz HIDCBGPKDZPSJN-MZMPZRCHSA-N 1 3 365.468 2.632 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001515814098 1059810821 /nfs/dbraw/zinc/81/08/21/1059810821.db2.gz QCBPPIZWZCCTIX-KSZLIROESA-N 1 3 370.545 2.814 20 0 FFADHO [NH3+]Cc1ccccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001521469119 1060605904 /nfs/dbraw/zinc/60/59/04/1060605904.db2.gz CUSNCDDDASKQTM-UHFFFAOYSA-N 1 3 353.466 2.602 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001547682928 1071989078 /nfs/dbraw/zinc/98/90/78/1071989078.db2.gz UZZSUKFVFWNEAJ-IBGZPJMESA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001547682928 1071989084 /nfs/dbraw/zinc/98/90/84/1071989084.db2.gz UZZSUKFVFWNEAJ-IBGZPJMESA-N 1 3 374.577 2.808 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCCC34CCOCC4)CC2)CC1 ZINC001459923224 1060848180 /nfs/dbraw/zinc/84/81/80/1060848180.db2.gz LCRBGEBQHIKINH-HXUWFJFHSA-N 1 3 363.590 2.933 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc3c(s2)C[NH2+]CC3)CC1 ZINC001521643711 1061041922 /nfs/dbraw/zinc/04/19/22/1061041922.db2.gz FGSJDJSDHPTTKU-AWEZNQCLSA-N 1 3 370.522 2.744 20 0 FFADHO C[C@H](CC(=O)Nc1ccccc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001461347253 1061296402 /nfs/dbraw/zinc/29/64/02/1061296402.db2.gz SFQNOABGOAMJEU-LSTHTHJFSA-N 1 3 359.514 2.761 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc2c[nH]nc21 ZINC001461376523 1061304335 /nfs/dbraw/zinc/30/43/35/1061304335.db2.gz ACVDHRUQRQUUAR-HXUWFJFHSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc2c[nH]nc21 ZINC001461376523 1061304348 /nfs/dbraw/zinc/30/43/48/1061304348.db2.gz ACVDHRUQRQUUAR-HXUWFJFHSA-N 1 3 350.466 2.809 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001435139435 1062401546 /nfs/dbraw/zinc/40/15/46/1062401546.db2.gz VVQLJCZVLJDODL-KRWDZBQOSA-N 1 3 353.576 2.727 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001435195665 1062415356 /nfs/dbraw/zinc/41/53/56/1062415356.db2.gz RXWYVHYEAOKJJK-RXVVDRJESA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001435195665 1062415364 /nfs/dbraw/zinc/41/53/64/1062415364.db2.gz RXWYVHYEAOKJJK-RXVVDRJESA-N 1 3 361.505 2.980 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1)N(C)C ZINC001479486365 1062466451 /nfs/dbraw/zinc/46/64/51/1062466451.db2.gz DRJXXVRQCZKKJP-FRQCXROJSA-N 1 3 367.484 2.722 20 0 FFADHO C[C@@H]1CCN(CC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001442734161 1063559227 /nfs/dbraw/zinc/55/92/27/1063559227.db2.gz ZUWHRCWUMCYQRW-OAHLLOKOSA-N 1 3 371.447 2.937 20 0 FFADHO Cc1cccc(Cl)c1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496062261 1063574758 /nfs/dbraw/zinc/57/47/58/1063574758.db2.gz TZUCDWQUVMKJDU-BZUAXINKSA-N 1 3 351.922 2.925 20 0 FFADHO Cc1cccc(Cl)c1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496062261 1063574770 /nfs/dbraw/zinc/57/47/70/1063574770.db2.gz TZUCDWQUVMKJDU-BZUAXINKSA-N 1 3 351.922 2.925 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001468058352 1063919819 /nfs/dbraw/zinc/91/98/19/1063919819.db2.gz RPFUHKJJXINGKD-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC001470653706 1064400530 /nfs/dbraw/zinc/40/05/30/1064400530.db2.gz OUYBAMCRDVXUBV-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001470653706 1064400533 /nfs/dbraw/zinc/40/05/33/1064400533.db2.gz OUYBAMCRDVXUBV-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC001471105454 1064561174 /nfs/dbraw/zinc/56/11/74/1064561174.db2.gz OEBXLCQHLGGLQJ-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC001471105454 1064561186 /nfs/dbraw/zinc/56/11/86/1064561186.db2.gz OEBXLCQHLGGLQJ-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCCN(C)C1 ZINC001471105454 1064561196 /nfs/dbraw/zinc/56/11/96/1064561196.db2.gz OEBXLCQHLGGLQJ-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCCN(C)C1 ZINC001471105454 1064561206 /nfs/dbraw/zinc/56/12/06/1064561206.db2.gz OEBXLCQHLGGLQJ-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001471508849 1064702083 /nfs/dbraw/zinc/70/20/83/1064702083.db2.gz LQGIAYHDXMVDLQ-HXUWFJFHSA-N 1 3 358.530 2.697 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001471508849 1064702093 /nfs/dbraw/zinc/70/20/93/1064702093.db2.gz LQGIAYHDXMVDLQ-HXUWFJFHSA-N 1 3 358.530 2.697 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H](NC[C@@H]([NH3+])CC(F)(F)F)C1CCCC1 ZINC001575216961 1078118453 /nfs/dbraw/zinc/11/84/53/1078118453.db2.gz VUTYLFJRINBCDG-QWHCGFSZSA-N 1 3 353.429 2.939 20 0 FFADHO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)[C@@H]1C ZINC001473403051 1065256683 /nfs/dbraw/zinc/25/66/83/1065256683.db2.gz PHLVIBDMSVFRTN-QZTJIDSGSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)[C@@H]1C ZINC001473403051 1065256691 /nfs/dbraw/zinc/25/66/91/1065256691.db2.gz PHLVIBDMSVFRTN-QZTJIDSGSA-N 1 3 358.530 2.887 20 0 FFADHO C[C@H](CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001576005601 1078186260 /nfs/dbraw/zinc/18/62/60/1078186260.db2.gz MZESPJROMOMIGK-BPQIPLTHSA-N 1 3 350.528 2.515 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC001474465147 1065529902 /nfs/dbraw/zinc/52/99/02/1065529902.db2.gz ZHJKZAKOVFONJU-NRFANRHFSA-N 1 3 361.574 2.968 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC001576517119 1078238039 /nfs/dbraw/zinc/23/80/39/1078238039.db2.gz YKIBPHNZEZZVCZ-TZIWHRDSSA-N 1 3 358.530 2.730 20 0 FFADHO CC[C@H](C)c1nnc(N2CC[C@H]([NH3+])C2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001577023028 1078295625 /nfs/dbraw/zinc/29/56/25/1078295625.db2.gz WGXKSOQYUGBNOU-JCGIZDLHSA-N 1 3 374.508 2.771 20 0 FFADHO CCC[NH2+]CCn1c([C@H](C)CC)nnc1N1CCN(CC(C)C)CC1 ZINC001577565568 1078377275 /nfs/dbraw/zinc/37/72/75/1078377275.db2.gz ZDUPLQWURGNXPU-QGZVFWFLSA-N 1 3 350.555 2.569 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2(C)CCCC2)C[C@H]1C ZINC001577758995 1078397425 /nfs/dbraw/zinc/39/74/25/1078397425.db2.gz DEXLMFWPHFLPCO-TVFCKZIOSA-N 1 3 374.577 2.982 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2(C)CCCC2)C[C@@H]1C ZINC001577758998 1078397559 /nfs/dbraw/zinc/39/75/59/1078397559.db2.gz DEXLMFWPHFLPCO-XWTMOSNGSA-N 1 3 374.577 2.982 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)cc1 ZINC001579198797 1078586610 /nfs/dbraw/zinc/58/66/10/1078586610.db2.gz BVVTZTBGLYWULB-HFSMHLIXSA-N 1 3 359.514 2.712 20 0 FFADHO N[C@@H](C[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)CC(F)F ZINC001580131238 1078753678 /nfs/dbraw/zinc/75/36/78/1078753678.db2.gz BTJRJTQDBKDUTI-ZIAGYGMSSA-N 1 3 351.363 2.852 20 0 FFADHO [NH3+][C@@H](CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)CC(F)F ZINC001580131238 1078753684 /nfs/dbraw/zinc/75/36/84/1078753684.db2.gz BTJRJTQDBKDUTI-ZIAGYGMSSA-N 1 3 351.363 2.852 20 0 FFADHO [NH3+]Cc1cccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001580342743 1078789038 /nfs/dbraw/zinc/78/90/38/1078789038.db2.gz GIYQOFRCEGTCNW-UHFFFAOYSA-N 1 3 352.887 2.752 20 0 FFADHO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001549600429 1073935328 /nfs/dbraw/zinc/93/53/28/1073935328.db2.gz RTDHBIHCTBUGJV-WFASDCNBSA-N 1 3 366.893 2.685 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550288081 1074199946 /nfs/dbraw/zinc/19/99/46/1074199946.db2.gz OZVMRUVELSJBIY-MWDBYQCVSA-N 1 3 356.514 2.652 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC001550421962 1074259648 /nfs/dbraw/zinc/25/96/48/1074259648.db2.gz JRTQQLZPKNVORQ-MHORFTMASA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC001550421962 1074259655 /nfs/dbraw/zinc/25/96/55/1074259655.db2.gz JRTQQLZPKNVORQ-MHORFTMASA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnc([C@@H]3CCCO3)s1)[C@@H](O)C2 ZINC001550422525 1074261141 /nfs/dbraw/zinc/26/11/41/1074261141.db2.gz XXYQUGXKTSILHW-QSUVVDIXSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnc([C@@H]3CCCO3)s1)[C@@H](O)C2 ZINC001550422525 1074261144 /nfs/dbraw/zinc/26/11/44/1074261144.db2.gz XXYQUGXKTSILHW-QSUVVDIXSA-N 1 3 365.543 2.564 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(NC(C)=O)c3)C2)[C@H]1C(C)C ZINC001550422585 1074261359 /nfs/dbraw/zinc/26/13/59/1074261359.db2.gz ABAKITKYTPQBNK-BURNTYAHSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(NC(C)=O)c3)C2)[C@H]1C(C)C ZINC001550422585 1074261366 /nfs/dbraw/zinc/26/13/66/1074261366.db2.gz ABAKITKYTPQBNK-BURNTYAHSA-N 1 3 359.514 2.604 20 0 FFADHO COc1ccc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(Cl)c1 ZINC001550423533 1074263014 /nfs/dbraw/zinc/26/30/14/1074263014.db2.gz OIZBFGBHEFIWMZ-XWSJACJDSA-N 1 3 352.906 2.918 20 0 FFADHO COc1ccc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)c(Cl)c1 ZINC001550423533 1074263016 /nfs/dbraw/zinc/26/30/16/1074263016.db2.gz OIZBFGBHEFIWMZ-XWSJACJDSA-N 1 3 352.906 2.918 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001550476628 1074291606 /nfs/dbraw/zinc/29/16/06/1074291606.db2.gz AQDPEMBECZKNLM-WBMJQRKESA-N 1 3 366.893 2.542 20 0 FFADHO O=C1CC[C@H](NCc2cc3ccccc3nc2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550910727 1074527518 /nfs/dbraw/zinc/52/75/18/1074527518.db2.gz AMTIIWVLZQOOLU-PKOBYXMFSA-N 1 3 372.900 2.625 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC001551238551 1074658952 /nfs/dbraw/zinc/65/89/52/1074658952.db2.gz ZEOBTDMUAZEVSA-UHFFFAOYSA-N 1 3 364.559 2.735 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001551515297 1074743576 /nfs/dbraw/zinc/74/35/76/1074743576.db2.gz FOMSXTUPYKWGMI-VQTJNVASSA-N 1 3 368.481 2.510 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001552396557 1075072573 /nfs/dbraw/zinc/07/25/73/1075072573.db2.gz RBNZJCXGXGFPEJ-HSALFYBXSA-N 1 3 353.441 2.622 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3C[C@@H]3Cc3ccccc3)CC2)CC1 ZINC001553092709 1075222043 /nfs/dbraw/zinc/22/20/43/1075222043.db2.gz LCTNMDMSTDAFAN-PMACEKPBSA-N 1 3 369.553 2.930 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553421729 1075304131 /nfs/dbraw/zinc/30/41/31/1075304131.db2.gz WUMLMZJIJUWTEQ-GVDBMIGSSA-N 1 3 362.543 2.669 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3C[C@@H]([NH+](C)C)C3(C)C)cc2)CC1 ZINC001557153885 1075815707 /nfs/dbraw/zinc/81/57/07/1075815707.db2.gz CWDFWZCZLIAGDJ-VQTJNVASSA-N 1 3 372.557 2.676 20 0 FFADHO COCCCOc1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC001560395451 1076270081 /nfs/dbraw/zinc/27/00/81/1076270081.db2.gz OSLYMNFFXZHMBI-RTWAWAEBSA-N 1 3 362.514 2.569 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2C)[NH+]1CCCC1 ZINC001563600843 1076569751 /nfs/dbraw/zinc/56/97/51/1076569751.db2.gz SUWZDBKQXCCYAT-OTWHNJEPSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(Cc2ccccc2)CCC1 ZINC001565056717 1076681209 /nfs/dbraw/zinc/68/12/09/1076681209.db2.gz ZAQNURLXCYVGNQ-SFHVURJKSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(Cc2ccccc2)CCC1 ZINC001565056717 1076681212 /nfs/dbraw/zinc/68/12/12/1076681212.db2.gz ZAQNURLXCYVGNQ-SFHVURJKSA-N 1 3 360.546 2.723 20 0 FFADHO COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001566092923 1076898212 /nfs/dbraw/zinc/89/82/12/1076898212.db2.gz OLFDCUYYDGVRNG-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO COCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001566092923 1076898218 /nfs/dbraw/zinc/89/82/18/1076898218.db2.gz OLFDCUYYDGVRNG-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO CC(C)Oc1ccccc1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568273310 1077081931 /nfs/dbraw/zinc/08/19/31/1077081931.db2.gz KWYNQNGGKKGEEN-ZHALLVOQSA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)Oc1ccccc1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568273310 1077081935 /nfs/dbraw/zinc/08/19/35/1077081935.db2.gz KWYNQNGGKKGEEN-ZHALLVOQSA-N 1 3 361.530 2.751 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccc(Cl)nc3)CCC2)CC[N@@H+]1C ZINC001570105253 1077182670 /nfs/dbraw/zinc/18/26/70/1077182670.db2.gz NNCGIDMPRDGOQK-JKSUJKDBSA-N 1 3 364.921 2.594 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccc(Cl)nc3)CCC2)CC[N@H+]1C ZINC001570105253 1077182673 /nfs/dbraw/zinc/18/26/73/1077182673.db2.gz NNCGIDMPRDGOQK-JKSUJKDBSA-N 1 3 364.921 2.594 20 0 FFADHO CCN1CCN([C@@H]2CC[N@H+](CC(C)(C)CN(C)Cc3ccccc3)C2)CC1 ZINC000093133108 250017434 /nfs/dbraw/zinc/01/74/34/250017434.db2.gz JNPARMZYPGOYKC-JOCHJYFZSA-N 1 3 372.601 2.856 20 0 FFADHO CCN1CCN([C@@H]2CC[N@@H+](CC(C)(C)CN(C)Cc3ccccc3)C2)CC1 ZINC000093133108 250017436 /nfs/dbraw/zinc/01/74/36/250017436.db2.gz JNPARMZYPGOYKC-JOCHJYFZSA-N 1 3 372.601 2.856 20 0 FFADHO CCN1CCN([C@@H]2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000093133108 250017437 /nfs/dbraw/zinc/01/74/37/250017437.db2.gz JNPARMZYPGOYKC-JOCHJYFZSA-N 1 3 372.601 2.856 20 0 FFADHO CCN1CCN([C@@H]2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000093133108 250017440 /nfs/dbraw/zinc/01/74/40/250017440.db2.gz JNPARMZYPGOYKC-JOCHJYFZSA-N 1 3 372.601 2.856 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000093139012 250018918 /nfs/dbraw/zinc/01/89/18/250018918.db2.gz WJIZIDXDAGZMCH-UHFFFAOYSA-N 1 3 373.545 2.718 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCc4cc(F)ccc43)CC2)CC1 ZINC000101994926 250096763 /nfs/dbraw/zinc/09/67/63/250096763.db2.gz MHVSLFKPEBFFML-HXUWFJFHSA-N 1 3 374.504 2.671 20 0 FFADHO CC1CCC(C)(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000105211102 250204075 /nfs/dbraw/zinc/20/40/75/250204075.db2.gz SVEROSAVVSEHTP-UHFFFAOYSA-N 1 3 350.551 2.813 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105264326 250206245 /nfs/dbraw/zinc/20/62/45/250206245.db2.gz FGTVPWMRVCPJIH-YLJYHZDGSA-N 1 3 373.545 2.560 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000105264326 250206248 /nfs/dbraw/zinc/20/62/48/250206248.db2.gz FGTVPWMRVCPJIH-YLJYHZDGSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000153590506 251152708 /nfs/dbraw/zinc/15/27/08/251152708.db2.gz HNJNWLRSMDEXDJ-LGWLGOQQSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000153590506 251152715 /nfs/dbraw/zinc/15/27/15/251152715.db2.gz HNJNWLRSMDEXDJ-LGWLGOQQSA-N 1 3 360.420 2.763 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000163237376 251178860 /nfs/dbraw/zinc/17/88/60/251178860.db2.gz CIFSLPFFLWZOHE-DLBZAZTESA-N 1 3 367.559 2.710 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000267406946 251347195 /nfs/dbraw/zinc/34/71/95/251347195.db2.gz NZSCDSLZGNCFDR-HLAWJBBLSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000267406946 251347201 /nfs/dbraw/zinc/34/72/01/251347201.db2.gz NZSCDSLZGNCFDR-HLAWJBBLSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cccnc1Cl ZINC000268837163 251396167 /nfs/dbraw/zinc/39/61/67/251396167.db2.gz UUKPUIQREVWBKD-MRXNPFEDSA-N 1 3 359.905 2.993 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCN(C)CC1 ZINC000268785827 251384690 /nfs/dbraw/zinc/38/46/90/251384690.db2.gz VNRVCKJHBOVOHA-MZYLBHOOSA-N 1 3 372.601 2.901 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272412322 252031373 /nfs/dbraw/zinc/03/13/73/252031373.db2.gz FRJDKXKQFQHDRM-UXHICEINSA-N 1 3 358.530 2.764 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)[C@H]2C1 ZINC000272516823 252058501 /nfs/dbraw/zinc/05/85/01/252058501.db2.gz YKAKEIIULQWRFO-UXHICEINSA-N 1 3 356.514 2.518 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000272518287 252058632 /nfs/dbraw/zinc/05/86/32/252058632.db2.gz YTOYSPLNLSMYMG-PMACEKPBSA-N 1 3 356.514 2.518 20 0 FFADHO CCC[C@](C)(N)C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000272357258 252018273 /nfs/dbraw/zinc/01/82/73/252018273.db2.gz RMRXUMQDZKYYCU-FQEVSTJZSA-N 1 3 365.518 2.550 20 0 FFADHO Cc1cc(NC(=O)CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)no1 ZINC000285735479 257001861 /nfs/dbraw/zinc/00/18/61/257001861.db2.gz XUOZKUONDTXRPQ-OAQYLSRUSA-N 1 3 368.481 2.910 20 0 FFADHO Cc1cc(NC(=O)CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)no1 ZINC000285735479 257001862 /nfs/dbraw/zinc/00/18/62/257001862.db2.gz XUOZKUONDTXRPQ-OAQYLSRUSA-N 1 3 368.481 2.910 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275599886 256028387 /nfs/dbraw/zinc/02/83/87/256028387.db2.gz GPBSEPSLOFTTMD-UHFFFAOYSA-N 1 3 358.486 2.979 20 0 FFADHO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cccc(OCCN(C)C)c1 ZINC000277217714 256173105 /nfs/dbraw/zinc/17/31/05/256173105.db2.gz XHDMSZQHGHEWGW-QGZVFWFLSA-N 1 3 369.513 2.737 20 0 FFADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCCN1C1CC1 ZINC000277913421 256254784 /nfs/dbraw/zinc/25/47/84/256254784.db2.gz VEORPFYLJJYFPE-FQEVSTJZSA-N 1 3 371.529 2.614 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000278381938 256306270 /nfs/dbraw/zinc/30/62/70/256306270.db2.gz FEQHOZNXETUAJM-PKOBYXMFSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000278380316 256306292 /nfs/dbraw/zinc/30/62/92/256306292.db2.gz FEQHOZNXETUAJM-HKUYNNGSSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@H]1CN(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000278446032 256313753 /nfs/dbraw/zinc/31/37/53/256313753.db2.gz HXUAXQGREZBSPR-PZJWPPBQSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@H]1CN(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000278446032 256313754 /nfs/dbraw/zinc/31/37/54/256313754.db2.gz HXUAXQGREZBSPR-PZJWPPBQSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@@H+]1C ZINC000279127533 256384477 /nfs/dbraw/zinc/38/44/77/256384477.db2.gz DPZQEWOEDQAVNN-FPOVZHCZSA-N 1 3 357.542 2.884 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@H+]1C ZINC000279127533 256384478 /nfs/dbraw/zinc/38/44/78/256384478.db2.gz DPZQEWOEDQAVNN-FPOVZHCZSA-N 1 3 357.542 2.884 20 0 FFADHO C[NH2+]CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000285954001 257012894 /nfs/dbraw/zinc/01/28/94/257012894.db2.gz GNHXMPPFPFHOFB-UHFFFAOYSA-N 1 3 352.482 2.557 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287346376 257084387 /nfs/dbraw/zinc/08/43/87/257084387.db2.gz ZASWBHXRJYIZHM-WRURNZQNSA-N 1 3 356.514 2.528 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287346376 257084388 /nfs/dbraw/zinc/08/43/88/257084388.db2.gz ZASWBHXRJYIZHM-WRURNZQNSA-N 1 3 356.514 2.528 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288043867 257142055 /nfs/dbraw/zinc/14/20/55/257142055.db2.gz TUQCODCKBVZNCQ-WSCSCYJOSA-N 1 3 356.514 2.698 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288043867 257142056 /nfs/dbraw/zinc/14/20/56/257142056.db2.gz TUQCODCKBVZNCQ-WSCSCYJOSA-N 1 3 356.514 2.698 20 0 FFADHO Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccc1F ZINC000289946983 257308138 /nfs/dbraw/zinc/30/81/38/257308138.db2.gz XNCIJXOSVXMGKI-UHFFFAOYSA-N 1 3 361.505 2.948 20 0 FFADHO C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000290300832 257324678 /nfs/dbraw/zinc/32/46/78/257324678.db2.gz NNGQEMJAXMFMDL-NYSBEXSLSA-N 1 3 356.466 2.772 20 0 FFADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000290368805 257328487 /nfs/dbraw/zinc/32/84/87/257328487.db2.gz KBJSUTFHAWKFEO-VQTJNVASSA-N 1 3 358.530 2.781 20 0 FFADHO CC[C@@H](NCc1ccncc1OCCC[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000290456763 257332684 /nfs/dbraw/zinc/33/26/84/257332684.db2.gz WHGRZAZNHJXYBE-GOSISDBHSA-N 1 3 363.502 2.624 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000290870824 257362017 /nfs/dbraw/zinc/36/20/17/257362017.db2.gz KEVVZPUPFKQQSL-XKGZKEIXSA-N 1 3 361.530 2.923 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000290870824 257362018 /nfs/dbraw/zinc/36/20/18/257362018.db2.gz KEVVZPUPFKQQSL-XKGZKEIXSA-N 1 3 361.530 2.923 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333168585 258253597 /nfs/dbraw/zinc/25/35/97/258253597.db2.gz HTCMGCUESKIMRC-RQXATKFSSA-N 1 3 370.541 2.584 20 0 FFADHO C[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000375023963 512126686 /nfs/dbraw/zinc/12/66/86/512126686.db2.gz WAPSHDSUCMKAIW-WIYYLYMNSA-N 1 3 367.541 2.545 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000375023963 512126687 /nfs/dbraw/zinc/12/66/87/512126687.db2.gz WAPSHDSUCMKAIW-WIYYLYMNSA-N 1 3 367.541 2.545 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000375023963 512126690 /nfs/dbraw/zinc/12/66/90/512126690.db2.gz WAPSHDSUCMKAIW-WIYYLYMNSA-N 1 3 367.541 2.545 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000368927872 512140597 /nfs/dbraw/zinc/14/05/97/512140597.db2.gz YQYTUHDGUALZTA-OAQYLSRUSA-N 1 3 370.541 2.527 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000373102948 512172151 /nfs/dbraw/zinc/17/21/51/512172151.db2.gz XPBKSAWZBFKOFB-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000373201823 512218516 /nfs/dbraw/zinc/21/85/16/512218516.db2.gz GFXQRIQLEARPER-UHFFFAOYSA-N 1 3 374.529 2.760 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)C1 ZINC000410360611 512245510 /nfs/dbraw/zinc/24/55/10/512245510.db2.gz AAIYXTBHGRTZSN-GOSISDBHSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)C1 ZINC000410360611 512245515 /nfs/dbraw/zinc/24/55/15/512245515.db2.gz AAIYXTBHGRTZSN-GOSISDBHSA-N 1 3 358.530 2.766 20 0 FFADHO O=C(CN1CCCC[C@@H]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000066155931 506431196 /nfs/dbraw/zinc/43/11/96/506431196.db2.gz KIVJOGIRSWQYFT-OAQYLSRUSA-N 1 3 355.526 2.827 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC000054509288 506568017 /nfs/dbraw/zinc/56/80/17/506568017.db2.gz YBJNZBYTMGJWMT-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC000054509288 506568025 /nfs/dbraw/zinc/56/80/25/506568025.db2.gz YBJNZBYTMGJWMT-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000054510321 506571350 /nfs/dbraw/zinc/57/13/50/506571350.db2.gz ZFGQLTMPBZPQAT-ICSRJNTNSA-N 1 3 360.546 2.883 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000054510321 506571354 /nfs/dbraw/zinc/57/13/54/506571354.db2.gz ZFGQLTMPBZPQAT-ICSRJNTNSA-N 1 3 360.546 2.883 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)Cc1ccccc1 ZINC000042911026 506679113 /nfs/dbraw/zinc/67/91/13/506679113.db2.gz CFWWQCCMFBGSES-GOSISDBHSA-N 1 3 360.546 2.768 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[NH+]1CCCCC1)c1ccsc1 ZINC000045196150 506931353 /nfs/dbraw/zinc/93/13/53/506931353.db2.gz VULVYHJWSBTSHS-KRWDZBQOSA-N 1 3 352.548 2.916 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[NH+]1CCCCC1)c1ccsc1 ZINC000045196153 506932327 /nfs/dbraw/zinc/93/23/27/506932327.db2.gz VULVYHJWSBTSHS-QGZVFWFLSA-N 1 3 352.548 2.916 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000045410027 506961881 /nfs/dbraw/zinc/96/18/81/506961881.db2.gz SADMQDXWXRNGLP-UHFFFAOYSA-N 1 3 370.541 2.885 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000067685968 506976561 /nfs/dbraw/zinc/97/65/61/506976561.db2.gz GKYIDZILENWXAI-ICSRJNTNSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000067685968 506976567 /nfs/dbraw/zinc/97/65/67/506976567.db2.gz GKYIDZILENWXAI-ICSRJNTNSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000056794327 507095382 /nfs/dbraw/zinc/09/53/82/507095382.db2.gz VEPCKXDPUPUYIV-UHFFFAOYSA-N 1 3 350.507 2.534 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000057205703 507206158 /nfs/dbraw/zinc/20/61/58/507206158.db2.gz ZHELNENSNZFHNU-HXUWFJFHSA-N 1 3 360.546 2.771 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@H+](CC)C3)c(C)c2)CC1 ZINC000046956716 507235186 /nfs/dbraw/zinc/23/51/86/507235186.db2.gz AHUQRENVRIZQBJ-SFHVURJKSA-N 1 3 373.545 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@@H+](CC)C3)c(C)c2)CC1 ZINC000046956716 507235193 /nfs/dbraw/zinc/23/51/93/507235193.db2.gz AHUQRENVRIZQBJ-SFHVURJKSA-N 1 3 373.545 2.600 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2CCOC)cc1)C1CC1 ZINC000069502471 507505644 /nfs/dbraw/zinc/50/56/44/507505644.db2.gz GVPKWLRALUYAEM-FQEVSTJZSA-N 1 3 359.514 2.512 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2CCOC)cc1)C1CC1 ZINC000069502471 507505648 /nfs/dbraw/zinc/50/56/48/507505648.db2.gz GVPKWLRALUYAEM-FQEVSTJZSA-N 1 3 359.514 2.512 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCSc3ccccc3)CC2)CC1 ZINC000050802526 507715233 /nfs/dbraw/zinc/71/52/33/507715233.db2.gz WMUAQUVFPNYVSE-UHFFFAOYSA-N 1 3 361.555 2.844 20 0 FFADHO CCc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000051760515 507783512 /nfs/dbraw/zinc/78/35/12/507783512.db2.gz MWRASFOKLVJLLI-UHFFFAOYSA-N 1 3 364.559 2.668 20 0 FFADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000051758431 507783632 /nfs/dbraw/zinc/78/36/32/507783632.db2.gz BSPUFPBBYYFHHO-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000107385484 507849021 /nfs/dbraw/zinc/84/90/21/507849021.db2.gz GFZHBQAZQPVLHG-SFHVURJKSA-N 1 3 360.502 2.719 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)c(C)c2)CC1 ZINC000108433435 507894438 /nfs/dbraw/zinc/89/44/38/507894438.db2.gz ACDNNVQTXZAGPR-GOSISDBHSA-N 1 3 373.545 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)c(C)c2)CC1 ZINC000108433435 507894439 /nfs/dbraw/zinc/89/44/39/507894439.db2.gz ACDNNVQTXZAGPR-GOSISDBHSA-N 1 3 373.545 2.600 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000108552113 507903404 /nfs/dbraw/zinc/90/34/04/507903404.db2.gz GHSRIYOCIXJVOH-QZTJIDSGSA-N 1 3 364.559 2.915 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000108552113 507903406 /nfs/dbraw/zinc/90/34/06/507903406.db2.gz GHSRIYOCIXJVOH-QZTJIDSGSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038644 507903519 /nfs/dbraw/zinc/90/35/19/507903519.db2.gz CVGQRPIKSPLWJW-INIZCTEOSA-N 1 3 357.473 2.838 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C1CC1 ZINC000073215239 507903949 /nfs/dbraw/zinc/90/39/49/507903949.db2.gz JKEWRDNLQXHXJZ-KURKYZTESA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C1CC1 ZINC000073215239 507903951 /nfs/dbraw/zinc/90/39/51/507903951.db2.gz JKEWRDNLQXHXJZ-KURKYZTESA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000079269270 507949339 /nfs/dbraw/zinc/94/93/39/507949339.db2.gz HYUCJJAQNNJJRA-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000079269270 507949341 /nfs/dbraw/zinc/94/93/41/507949341.db2.gz HYUCJJAQNNJJRA-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079310863 507952442 /nfs/dbraw/zinc/95/24/42/507952442.db2.gz VZKVVONZALBSEO-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079310863 507952444 /nfs/dbraw/zinc/95/24/44/507952444.db2.gz VZKVVONZALBSEO-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079458032 507964450 /nfs/dbraw/zinc/96/44/50/507964450.db2.gz JZHLYISRQQHZCJ-IBGZPJMESA-N 1 3 370.541 2.697 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079458032 507964452 /nfs/dbraw/zinc/96/44/52/507964452.db2.gz JZHLYISRQQHZCJ-IBGZPJMESA-N 1 3 370.541 2.697 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc(C[NH+](C)C)cc2)o1 ZINC000079576891 507977442 /nfs/dbraw/zinc/97/74/42/507977442.db2.gz YMDOIEZLBLYXJD-UHFFFAOYSA-N 1 3 372.513 2.923 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000074099471 507985848 /nfs/dbraw/zinc/98/58/48/507985848.db2.gz ZKNQNKCWUMLZNL-QZTJIDSGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000074099471 507985852 /nfs/dbraw/zinc/98/58/52/507985852.db2.gz ZKNQNKCWUMLZNL-QZTJIDSGSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000110718570 508043408 /nfs/dbraw/zinc/04/34/08/508043408.db2.gz WPBCJMCRIIBZKD-DLBZAZTESA-N 1 3 371.447 2.761 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000074833269 508059233 /nfs/dbraw/zinc/05/92/33/508059233.db2.gz HJBYQPXYOAXQTE-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000074833269 508059237 /nfs/dbraw/zinc/05/92/37/508059237.db2.gz HJBYQPXYOAXQTE-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074833098 508059589 /nfs/dbraw/zinc/05/95/89/508059589.db2.gz IMWLVTAVEYUVNY-NHCUHLMSSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074833098 508059591 /nfs/dbraw/zinc/05/95/91/508059591.db2.gz IMWLVTAVEYUVNY-NHCUHLMSSA-N 1 3 372.557 2.533 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000111505818 508105478 /nfs/dbraw/zinc/10/54/78/508105478.db2.gz KJDFNMLLSFAEOH-GOSISDBHSA-N 1 3 373.545 2.814 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000111505818 508105481 /nfs/dbraw/zinc/10/54/81/508105481.db2.gz KJDFNMLLSFAEOH-GOSISDBHSA-N 1 3 373.545 2.814 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111635906 508112237 /nfs/dbraw/zinc/11/22/37/508112237.db2.gz FXYMOCXPJNIWQJ-NRFANRHFSA-N 1 3 372.557 2.579 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111635906 508112240 /nfs/dbraw/zinc/11/22/40/508112240.db2.gz FXYMOCXPJNIWQJ-NRFANRHFSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000093125067 508122120 /nfs/dbraw/zinc/12/21/20/508122120.db2.gz DNZSVPFPQVMNIY-MSOLQXFVSA-N 1 3 373.545 2.718 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000093125067 508122123 /nfs/dbraw/zinc/12/21/23/508122123.db2.gz DNZSVPFPQVMNIY-MSOLQXFVSA-N 1 3 373.545 2.718 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000093614792 508149844 /nfs/dbraw/zinc/14/98/44/508149844.db2.gz ADLOEZXPAAVIQM-RTWAWAEBSA-N 1 3 356.558 2.887 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000093614792 508149846 /nfs/dbraw/zinc/14/98/46/508149846.db2.gz ADLOEZXPAAVIQM-RTWAWAEBSA-N 1 3 356.558 2.887 20 0 FFADHO [NH3+]CCCOC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000094072273 508166991 /nfs/dbraw/zinc/16/69/91/508166991.db2.gz PNPZWLRJLMIMRJ-UHFFFAOYSA-N 1 3 357.292 2.658 20 0 FFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000098030426 508231627 /nfs/dbraw/zinc/23/16/27/508231627.db2.gz SXNCGZUQWRYEAB-ZWKOTPCHSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)C1CC1 ZINC000101975665 508262458 /nfs/dbraw/zinc/26/24/58/508262458.db2.gz ZUWOSZYOUPKFOU-HXUWFJFHSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)C1CC1 ZINC000101975665 508262462 /nfs/dbraw/zinc/26/24/62/508262462.db2.gz ZUWOSZYOUPKFOU-HXUWFJFHSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084433808 508279054 /nfs/dbraw/zinc/27/90/54/508279054.db2.gz ARMNVGFTVMSQNK-DLBZAZTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084433808 508279057 /nfs/dbraw/zinc/27/90/57/508279057.db2.gz ARMNVGFTVMSQNK-DLBZAZTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000085358920 508303284 /nfs/dbraw/zinc/30/32/84/508303284.db2.gz PXAUEACAOLTLTJ-QGZVFWFLSA-N 1 3 360.546 2.710 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2ccccc2c1 ZINC000114502077 508323159 /nfs/dbraw/zinc/32/31/59/508323159.db2.gz AQOPOVDWMRJJES-LJQANCHMSA-N 1 3 355.526 2.881 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077715705 508357553 /nfs/dbraw/zinc/35/75/53/508357553.db2.gz DGWLMZJGKKSGHR-SFHVURJKSA-N 1 3 358.530 2.956 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000105082566 508359759 /nfs/dbraw/zinc/35/97/59/508359759.db2.gz QTUWFPMYJZZQHF-VQTJNVASSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000105082566 508359761 /nfs/dbraw/zinc/35/97/61/508359761.db2.gz QTUWFPMYJZZQHF-VQTJNVASSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000105103346 508360772 /nfs/dbraw/zinc/36/07/72/508360772.db2.gz GQCXWRAGBRBTFV-IBGZPJMESA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000088479007 508372097 /nfs/dbraw/zinc/37/20/97/508372097.db2.gz ZERPDQVQZCHLQA-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO CN1CCC[N@H+](CCCNCc2ccccc2OCc2ccccn2)CC1 ZINC000105476649 508373917 /nfs/dbraw/zinc/37/39/17/508373917.db2.gz IOSRYODBSVRWBH-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2ccccc2OCc2ccccn2)CC1 ZINC000105476649 508373919 /nfs/dbraw/zinc/37/39/19/508373919.db2.gz IOSRYODBSVRWBH-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000077810811 508377351 /nfs/dbraw/zinc/37/73/51/508377351.db2.gz OKZCRCANTHEEIX-QZTJIDSGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000077810811 508377352 /nfs/dbraw/zinc/37/73/52/508377352.db2.gz OKZCRCANTHEEIX-QZTJIDSGSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)N(C)C)cc1 ZINC000106547481 508402115 /nfs/dbraw/zinc/40/21/15/508402115.db2.gz OLHHGHIGSQOBIY-QUCCMNQESA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)N(C)C)cc1 ZINC000106547481 508402116 /nfs/dbraw/zinc/40/21/16/508402116.db2.gz OLHHGHIGSQOBIY-QUCCMNQESA-N 1 3 358.530 2.914 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127239209 508419552 /nfs/dbraw/zinc/41/95/52/508419552.db2.gz LGNVESGERIOMKW-WMZOPIPTSA-N 1 3 350.551 2.669 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000115785716 508437093 /nfs/dbraw/zinc/43/70/93/508437093.db2.gz JCSBUHXVUWPSGT-ICSRJNTNSA-N 1 3 360.546 2.835 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000115785716 508437096 /nfs/dbraw/zinc/43/70/96/508437096.db2.gz JCSBUHXVUWPSGT-ICSRJNTNSA-N 1 3 360.546 2.835 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)N1[C@H](C)CC[C@H]1C ZINC000156784260 508477063 /nfs/dbraw/zinc/47/70/63/508477063.db2.gz GZCCQTDXNHPBDV-OAGGEKHMSA-N 1 3 360.502 2.754 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000122122696 508484724 /nfs/dbraw/zinc/48/47/24/508484724.db2.gz ZUFBZWHNMVXTLV-HBMCJLEFSA-N 1 3 356.510 2.691 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000157039933 508513955 /nfs/dbraw/zinc/51/39/55/508513955.db2.gz ONZXJTPWQACJBY-LEWJYISDSA-N 1 3 373.541 2.733 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000157180928 508533904 /nfs/dbraw/zinc/53/39/04/508533904.db2.gz ORGCPNMVVIMALP-LJQANCHMSA-N 1 3 372.557 2.712 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000157180928 508533907 /nfs/dbraw/zinc/53/39/07/508533907.db2.gz ORGCPNMVVIMALP-LJQANCHMSA-N 1 3 372.557 2.712 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128257547 508569367 /nfs/dbraw/zinc/56/93/67/508569367.db2.gz SIOUJWWEDJSRCH-INIZCTEOSA-N 1 3 366.937 2.674 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000128271362 508571827 /nfs/dbraw/zinc/57/18/27/508571827.db2.gz JLXKOZRXRJVOHI-QGZVFWFLSA-N 1 3 373.545 2.649 20 0 FFADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCN1CCN(C)CC1)CC3 ZINC000123092973 508634742 /nfs/dbraw/zinc/63/47/42/508634742.db2.gz HUYMXTCBCMQNGT-KRWDZBQOSA-N 1 3 370.541 2.651 20 0 FFADHO CC[C@H](C)NC(=O)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000123132310 508641168 /nfs/dbraw/zinc/64/11/68/508641168.db2.gz HAFWQOUYQCYEFK-KRWDZBQOSA-N 1 3 360.546 2.611 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(C(=O)OCC)CC2)CC1 ZINC000158087133 508655352 /nfs/dbraw/zinc/65/53/52/508655352.db2.gz SEVTXODQTDRMOB-UHFFFAOYSA-N 1 3 373.541 2.994 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000119309891 508770463 /nfs/dbraw/zinc/77/04/63/508770463.db2.gz LCBZXLATYMEAMK-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159058964 508787465 /nfs/dbraw/zinc/78/74/65/508787465.db2.gz WSGXQMJBZXRXKE-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000139530970 508789761 /nfs/dbraw/zinc/78/97/61/508789761.db2.gz VWVSVJHECGBLFG-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000139530970 508789765 /nfs/dbraw/zinc/78/97/65/508789765.db2.gz VWVSVJHECGBLFG-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN2C)CC1 ZINC000139530816 508790197 /nfs/dbraw/zinc/79/01/97/508790197.db2.gz ZWXOTASGHYANIH-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO C[NH+](C)C(C)(C)CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000159082114 508790684 /nfs/dbraw/zinc/79/06/84/508790684.db2.gz IVVJRWYXMIJCAE-SFHVURJKSA-N 1 3 371.447 2.897 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000120143799 508937223 /nfs/dbraw/zinc/93/72/23/508937223.db2.gz MMIMNONSHIWLQH-UHFFFAOYSA-N 1 3 371.485 2.831 20 0 FFADHO NC(=O)N1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000155202360 508947122 /nfs/dbraw/zinc/94/71/22/508947122.db2.gz VUGNALZTVGZLRA-UHFFFAOYSA-N 1 3 364.921 2.685 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCN(C)C[C@@H]3C)CC2)c1 ZINC000125329474 508966910 /nfs/dbraw/zinc/96/69/10/508966910.db2.gz PUCBFTRCYLSXMW-RBBKRZOGSA-N 1 3 358.574 2.827 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000155413593 508996166 /nfs/dbraw/zinc/99/61/66/508996166.db2.gz BORCUDICZVJBJY-UHFFFAOYSA-N 1 3 362.396 2.542 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000132120839 508997703 /nfs/dbraw/zinc/99/77/03/508997703.db2.gz BPNSLKMURLFDTB-INIZCTEOSA-N 1 3 369.575 2.956 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000377746501 512430890 /nfs/dbraw/zinc/43/08/90/512430890.db2.gz DGVPDEZUDCRODD-PWRODBHTSA-N 1 3 355.526 2.884 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000126534476 509091717 /nfs/dbraw/zinc/09/17/17/509091717.db2.gz ZIOBULVPVNOZRA-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO CCc1ccccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126622998 509104092 /nfs/dbraw/zinc/10/40/92/509104092.db2.gz QUCGPIXHLSCKHF-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126632724 509105380 /nfs/dbraw/zinc/10/53/80/509105380.db2.gz REQIOLLGPGECAG-YLJYHZDGSA-N 1 3 371.525 2.716 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126632724 509105386 /nfs/dbraw/zinc/10/53/86/509105386.db2.gz REQIOLLGPGECAG-YLJYHZDGSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]2CSCCN2)cc1 ZINC000133437701 509159940 /nfs/dbraw/zinc/15/99/40/509159940.db2.gz WHRWJIUVIWMVOG-VQIMIIECSA-N 1 3 361.555 2.772 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2CSCCN2)cc1 ZINC000133437701 509159944 /nfs/dbraw/zinc/15/99/44/509159944.db2.gz WHRWJIUVIWMVOG-VQIMIIECSA-N 1 3 361.555 2.772 20 0 FFADHO O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248402664 509296430 /nfs/dbraw/zinc/29/64/30/509296430.db2.gz NRQKMVYVBLQYHY-PWRODBHTSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248400222 509297596 /nfs/dbraw/zinc/29/75/96/509297596.db2.gz KRUYORBUOZOOHC-MTNOOBJLSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248400222 509297600 /nfs/dbraw/zinc/29/76/00/509297600.db2.gz KRUYORBUOZOOHC-MTNOOBJLSA-N 1 3 350.551 2.621 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COc3cccc4ccccc43)CC[C@@H]21 ZINC000162788067 509301924 /nfs/dbraw/zinc/30/19/24/509301924.db2.gz BVXTYALWCJWXOU-DYXWJJEUSA-N 1 3 354.494 2.996 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc4ccccc43)CC[C@@H]21 ZINC000162788067 509301934 /nfs/dbraw/zinc/30/19/34/509301934.db2.gz BVXTYALWCJWXOU-DYXWJJEUSA-N 1 3 354.494 2.996 20 0 FFADHO Cc1cnn(CCCCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000182610870 509331625 /nfs/dbraw/zinc/33/16/25/509331625.db2.gz XOYVTBHXCJRGFW-WCRBZPEASA-N 1 3 359.562 2.605 20 0 FFADHO Cc1cnn(CCCCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000182610870 509331634 /nfs/dbraw/zinc/33/16/34/509331634.db2.gz XOYVTBHXCJRGFW-WCRBZPEASA-N 1 3 359.562 2.605 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182635429 509343991 /nfs/dbraw/zinc/34/39/91/509343991.db2.gz GHKGOBYCUGWYBC-YQVWRLOYSA-N 1 3 350.551 2.813 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182635429 509343998 /nfs/dbraw/zinc/34/39/98/509343998.db2.gz GHKGOBYCUGWYBC-YQVWRLOYSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000248648061 509416474 /nfs/dbraw/zinc/41/64/74/509416474.db2.gz TYVXBFFITAOMNQ-UMSONDCASA-N 1 3 355.526 2.525 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCN1C ZINC000163927776 509442463 /nfs/dbraw/zinc/44/24/63/509442463.db2.gz KTOYYSLYSPOEOH-UNMCSNQZSA-N 1 3 358.574 2.657 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000189164206 509444431 /nfs/dbraw/zinc/44/44/31/509444431.db2.gz JFCHWUYRLZYUFG-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182859952 509463736 /nfs/dbraw/zinc/46/37/36/509463736.db2.gz JJKQYSUADHXZAZ-RCCFBDPRSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182859952 509463741 /nfs/dbraw/zinc/46/37/41/509463741.db2.gz JJKQYSUADHXZAZ-RCCFBDPRSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236686959 509479765 /nfs/dbraw/zinc/47/97/65/509479765.db2.gz GDDQBYHUZAACNT-FGZHOGPDSA-N 1 3 365.521 2.756 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000176398605 509487215 /nfs/dbraw/zinc/48/72/15/509487215.db2.gz KIXMCTKXXQNTTE-NXEWRWPSSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000176398605 509487225 /nfs/dbraw/zinc/48/72/25/509487225.db2.gz KIXMCTKXXQNTTE-NXEWRWPSSA-N 1 3 358.530 2.912 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000248832708 509502563 /nfs/dbraw/zinc/50/25/63/509502563.db2.gz MSGKHPILYDTIHE-AFYVEPGGSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000186088235 509516421 /nfs/dbraw/zinc/51/64/21/509516421.db2.gz RHRWPYUFKUFGBP-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000248932604 509547966 /nfs/dbraw/zinc/54/79/66/509547966.db2.gz XYSFMRUBSIRFCW-UKAVVXHISA-N 1 3 372.557 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000248932604 509547972 /nfs/dbraw/zinc/54/79/72/509547972.db2.gz XYSFMRUBSIRFCW-UKAVVXHISA-N 1 3 372.557 2.879 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CCC3CC[NH2+]CC3)c(C)c2)CC1 ZINC000237009215 509550806 /nfs/dbraw/zinc/55/08/06/509550806.db2.gz DLDJTXKOMPCRIZ-UHFFFAOYSA-N 1 3 358.530 2.855 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2F)CC1 ZINC000237084397 509566693 /nfs/dbraw/zinc/56/66/93/509566693.db2.gz UPKYDUALNRNTBD-QGZVFWFLSA-N 1 3 350.482 2.668 20 0 FFADHO CCC[NH+]1CCC(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173387203 509568149 /nfs/dbraw/zinc/56/81/49/509568149.db2.gz ROQMJRARYBQGGA-INIZCTEOSA-N 1 3 367.559 2.710 20 0 FFADHO Cc1nc2n(n1)C[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036175 509578311 /nfs/dbraw/zinc/57/83/11/509578311.db2.gz SQAXVAFMTZXDQY-YSTOQKLRSA-N 1 3 351.498 2.687 20 0 FFADHO Cc1nc2n(n1)C[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000249036175 509578319 /nfs/dbraw/zinc/57/83/19/509578319.db2.gz SQAXVAFMTZXDQY-YSTOQKLRSA-N 1 3 351.498 2.687 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000237192470 509590498 /nfs/dbraw/zinc/59/04/98/509590498.db2.gz SJTZSJWGOOFMHB-QFIPXVFZSA-N 1 3 365.521 2.927 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000237192470 509590509 /nfs/dbraw/zinc/59/05/09/509590509.db2.gz SJTZSJWGOOFMHB-QFIPXVFZSA-N 1 3 365.521 2.927 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(F)cccc1OC ZINC000186244309 509596931 /nfs/dbraw/zinc/59/69/31/509596931.db2.gz FXZCNJREZDRXJW-HNNXBMFYSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(F)cccc1OC ZINC000186244309 509596936 /nfs/dbraw/zinc/59/69/36/509596936.db2.gz FXZCNJREZDRXJW-HNNXBMFYSA-N 1 3 366.481 2.714 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000237233348 509599142 /nfs/dbraw/zinc/59/91/42/509599142.db2.gz BSZYYXXELQPSME-FPOVZHCZSA-N 1 3 351.494 2.709 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccccc1 ZINC000237233348 509599149 /nfs/dbraw/zinc/59/91/49/509599149.db2.gz BSZYYXXELQPSME-FPOVZHCZSA-N 1 3 351.494 2.709 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccnn1C ZINC000192695657 509600939 /nfs/dbraw/zinc/60/09/39/509600939.db2.gz HUWBABBJKDWPHY-LJQANCHMSA-N 1 3 355.530 2.669 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1 ZINC000249112970 509607462 /nfs/dbraw/zinc/60/74/62/509607462.db2.gz WBIPGLXYDUSFIE-SJBKTWHCSA-N 1 3 367.493 2.525 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000249391587 509669839 /nfs/dbraw/zinc/66/98/39/509669839.db2.gz ACSGJFJGBIENEQ-BJLQDIEVSA-N 1 3 367.578 2.798 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](c3nccn3C)C3CC3)cc2)CC1 ZINC000183249306 509678509 /nfs/dbraw/zinc/67/85/09/509678509.db2.gz DHAXEIOFEYMGJP-NRFANRHFSA-N 1 3 367.541 2.799 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173752047 509754574 /nfs/dbraw/zinc/75/45/74/509754574.db2.gz DOONBCMQURIXLW-FQEVSTJZSA-N 1 3 356.514 2.683 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173752047 509754578 /nfs/dbraw/zinc/75/45/78/509754578.db2.gz DOONBCMQURIXLW-FQEVSTJZSA-N 1 3 356.514 2.683 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000170756383 509759809 /nfs/dbraw/zinc/75/98/09/509759809.db2.gz PYEGSNIIULNPJU-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN1CCN(C)CC1 ZINC000180134674 509769964 /nfs/dbraw/zinc/76/99/64/509769964.db2.gz PNSFCRJNKSEVBM-SNWXZZBVSA-N 1 3 370.585 2.655 20 0 FFADHO CC[C@H](CN[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)[NH+]1CCCC1 ZINC000183410582 509771961 /nfs/dbraw/zinc/77/19/61/509771961.db2.gz SRHXOOUKEMJZHO-CRAIPNDOSA-N 1 3 361.486 2.654 20 0 FFADHO C[C@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000180138134 509772594 /nfs/dbraw/zinc/77/25/94/509772594.db2.gz NDHSRVHEPSUIQO-JGRHNOTBSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000180138134 509772601 /nfs/dbraw/zinc/77/26/01/509772601.db2.gz NDHSRVHEPSUIQO-JGRHNOTBSA-N 1 3 357.542 2.881 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000183430938 509783780 /nfs/dbraw/zinc/78/37/80/509783780.db2.gz XGWHXXYJFLMTJK-HZPDHXFCSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000183430938 509783788 /nfs/dbraw/zinc/78/37/88/509783788.db2.gz XGWHXXYJFLMTJK-HZPDHXFCSA-N 1 3 361.486 2.512 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238173886 509829502 /nfs/dbraw/zinc/82/95/02/509829502.db2.gz PEXSEGAZQPDKSZ-JBACZVJFSA-N 1 3 371.525 2.750 20 0 FFADHO CN(CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000268379630 509898290 /nfs/dbraw/zinc/89/82/90/509898290.db2.gz UNBHCRWWMWEACZ-UHFFFAOYSA-N 1 3 372.479 2.801 20 0 FFADHO CN(CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)CC(F)(F)F ZINC000268379630 509898296 /nfs/dbraw/zinc/89/82/96/509898296.db2.gz UNBHCRWWMWEACZ-UHFFFAOYSA-N 1 3 372.479 2.801 20 0 FFADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1OC(C)C ZINC000268458441 509943609 /nfs/dbraw/zinc/94/36/09/509943609.db2.gz YPMVPJAZJWRGEG-UHFFFAOYSA-N 1 3 350.503 2.807 20 0 FFADHO CN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268542627 509999773 /nfs/dbraw/zinc/99/97/73/509999773.db2.gz UKDWWXTWFNVZSQ-HXUWFJFHSA-N 1 3 356.514 2.529 20 0 FFADHO O=C(CC[C@H]1CC[NH2+]C1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000261757918 510051690 /nfs/dbraw/zinc/05/16/90/510051690.db2.gz HTEUOWFKHBKQBH-IBGZPJMESA-N 1 3 373.541 2.564 20 0 FFADHO CC(C)Oc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261758354 510052895 /nfs/dbraw/zinc/05/28/95/510052895.db2.gz FROJGNCAPMACTK-AZUAARDMSA-N 1 3 359.514 2.554 20 0 FFADHO COC(=O)c1ccccc1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187106117 510059598 /nfs/dbraw/zinc/05/95/98/510059598.db2.gz NLIPFBQGRXNLLH-UHFFFAOYSA-N 1 3 360.498 2.593 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000193774979 510063821 /nfs/dbraw/zinc/06/38/21/510063821.db2.gz OWQKFJLBRBTPEY-FQEVSTJZSA-N 1 3 372.557 2.725 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000193774979 510063827 /nfs/dbraw/zinc/06/38/27/510063827.db2.gz OWQKFJLBRBTPEY-FQEVSTJZSA-N 1 3 372.557 2.725 20 0 FFADHO CN1c2ccc(CNCc3ccc(OCC[NH+](C)C)cc3)cc2CCC1=O ZINC000187129627 510075093 /nfs/dbraw/zinc/07/50/93/510075093.db2.gz DPGKVBDAOMSXNS-UHFFFAOYSA-N 1 3 367.493 2.826 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 ZINC000261818049 510075808 /nfs/dbraw/zinc/07/58/08/510075808.db2.gz WIVCOGDZLJGGCW-LBPRGKRZSA-N 1 3 351.903 2.842 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000268933183 510144255 /nfs/dbraw/zinc/14/42/55/510144255.db2.gz TZQPYIYEJQHMOZ-RZUBCFFCSA-N 1 3 358.574 2.513 20 0 FFADHO CCN1CCC(n2nccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262025858 510150905 /nfs/dbraw/zinc/15/09/05/510150905.db2.gz ACWHHGPJOVVYIS-JOUKPKRSSA-N 1 3 359.518 2.632 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180870822 510155681 /nfs/dbraw/zinc/15/56/81/510155681.db2.gz HBEMGXVPPSMVIN-NHCUHLMSSA-N 1 3 373.541 2.522 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180870822 510155685 /nfs/dbraw/zinc/15/56/85/510155685.db2.gz HBEMGXVPPSMVIN-NHCUHLMSSA-N 1 3 373.541 2.522 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245876270 510181778 /nfs/dbraw/zinc/18/17/78/510181778.db2.gz IHRHJBYUHMUZGZ-ZRSRNVLSSA-N 1 3 350.551 2.621 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245876270 510181781 /nfs/dbraw/zinc/18/17/81/510181781.db2.gz IHRHJBYUHMUZGZ-ZRSRNVLSSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000245952627 510225964 /nfs/dbraw/zinc/22/59/64/510225964.db2.gz CFEYSGDZRSVDMX-BRWVUGGUSA-N 1 3 367.559 2.743 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262306005 510238175 /nfs/dbraw/zinc/23/81/75/510238175.db2.gz ANRYFMNPVACDPC-RHSMWYFYSA-N 1 3 357.420 2.555 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)N(C)C)cc1 ZINC000246011155 510248298 /nfs/dbraw/zinc/24/82/98/510248298.db2.gz TVFQLRLCVNFTQH-NJYVYQBISA-N 1 3 372.557 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)N(C)C)cc1 ZINC000246011155 510248307 /nfs/dbraw/zinc/24/83/07/510248307.db2.gz TVFQLRLCVNFTQH-NJYVYQBISA-N 1 3 372.557 2.977 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000174709243 510263696 /nfs/dbraw/zinc/26/36/96/510263696.db2.gz XJLVEFIHBIAIFL-SESVDKBCSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000174709243 510263706 /nfs/dbraw/zinc/26/37/06/510263706.db2.gz XJLVEFIHBIAIFL-SESVDKBCSA-N 1 3 372.557 2.675 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000177849070 510287772 /nfs/dbraw/zinc/28/77/72/510287772.db2.gz RPDDCRYDANDSQK-LJQANCHMSA-N 1 3 372.557 2.943 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000177849070 510287777 /nfs/dbraw/zinc/28/77/77/510287777.db2.gz RPDDCRYDANDSQK-LJQANCHMSA-N 1 3 372.557 2.943 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262505843 510303014 /nfs/dbraw/zinc/30/30/14/510303014.db2.gz JDCUUOFUIMCKCZ-SIKLNZKXSA-N 1 3 355.526 2.590 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246120952 510305548 /nfs/dbraw/zinc/30/55/48/510305548.db2.gz IJDJDAXAGZVGDO-HCXYKTFWSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246120952 510305550 /nfs/dbraw/zinc/30/55/50/510305550.db2.gz IJDJDAXAGZVGDO-HCXYKTFWSA-N 1 3 352.567 2.869 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174787555 510311624 /nfs/dbraw/zinc/31/16/24/510311624.db2.gz NPPONSACBBRUKR-SFHVURJKSA-N 1 3 372.513 2.885 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000246181268 510344300 /nfs/dbraw/zinc/34/43/00/510344300.db2.gz HGODEYGUXNSABQ-UXPWSPDFSA-N 1 3 360.546 2.833 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000246181268 510344305 /nfs/dbraw/zinc/34/43/05/510344305.db2.gz HGODEYGUXNSABQ-UXPWSPDFSA-N 1 3 360.546 2.833 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194443527 510367679 /nfs/dbraw/zinc/36/76/79/510367679.db2.gz NVWWIVMRYNLACQ-HXUWFJFHSA-N 1 3 360.546 2.738 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194443527 510367685 /nfs/dbraw/zinc/36/76/85/510367685.db2.gz NVWWIVMRYNLACQ-HXUWFJFHSA-N 1 3 360.546 2.738 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000184633811 510430815 /nfs/dbraw/zinc/43/08/15/510430815.db2.gz OHFGIQOFJSXTNM-RXVVDRJESA-N 1 3 370.541 2.681 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000184633811 510430823 /nfs/dbraw/zinc/43/08/23/510430823.db2.gz OHFGIQOFJSXTNM-RXVVDRJESA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCC[C@@H](C)C1 ZINC000246357596 510443846 /nfs/dbraw/zinc/44/38/46/510443846.db2.gz DSHPVZYNOTXXSD-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2)CC1 ZINC000269537909 510452496 /nfs/dbraw/zinc/45/24/96/510452496.db2.gz ZHXCPVZXHPJZKA-FQEVSTJZSA-N 1 3 352.482 2.857 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2)CC1 ZINC000269537909 510452503 /nfs/dbraw/zinc/45/25/03/510452503.db2.gz ZHXCPVZXHPJZKA-FQEVSTJZSA-N 1 3 352.482 2.857 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000175061478 510465009 /nfs/dbraw/zinc/46/50/09/510465009.db2.gz XDXKWBVOWUJSKL-NRFANRHFSA-N 1 3 372.557 2.819 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000184726333 510485760 /nfs/dbraw/zinc/48/57/60/510485760.db2.gz FLSMUMPSSYRGIL-HXUWFJFHSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000184726333 510485764 /nfs/dbraw/zinc/48/57/64/510485764.db2.gz FLSMUMPSSYRGIL-HXUWFJFHSA-N 1 3 374.529 2.568 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000246538997 510544128 /nfs/dbraw/zinc/54/41/28/510544128.db2.gz SJOGIRCRZCOCRJ-NHCUHLMSSA-N 1 3 351.494 2.900 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000246551583 510550337 /nfs/dbraw/zinc/55/03/37/510550337.db2.gz TXLHWEQBOWHSLL-DUXKGJEZSA-N 1 3 351.494 2.898 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000246551583 510550339 /nfs/dbraw/zinc/55/03/39/510550339.db2.gz TXLHWEQBOWHSLL-DUXKGJEZSA-N 1 3 351.494 2.898 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)CC1 ZINC000184891968 510566891 /nfs/dbraw/zinc/56/68/91/510566891.db2.gz XJIIDSIBUBCDGD-FQEVSTJZSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]([NH+](CC)CC)C3)c2)CC1 ZINC000184901448 510573249 /nfs/dbraw/zinc/57/32/49/510573249.db2.gz ONQDHSPWDLDEEM-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO C[C@H](NC1(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CCOCC1)c1ccccc1 ZINC000263214993 510615990 /nfs/dbraw/zinc/61/59/90/510615990.db2.gz KTKVRLGFQQLBKX-FBBABVLZSA-N 1 3 373.541 2.910 20 0 FFADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000188207614 510649818 /nfs/dbraw/zinc/64/98/18/510649818.db2.gz CACAECUVUHXTDU-INIZCTEOSA-N 1 3 357.473 2.838 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175577143 510682602 /nfs/dbraw/zinc/68/26/02/510682602.db2.gz CTYGSOVFRPWOCB-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175577143 510682610 /nfs/dbraw/zinc/68/26/10/510682610.db2.gz CTYGSOVFRPWOCB-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000246876667 510722887 /nfs/dbraw/zinc/72/28/87/510722887.db2.gz CUWZCLPHXKHFKL-KZNAEPCWSA-N 1 3 357.502 2.807 20 0 FFADHO NC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000178731232 510743268 /nfs/dbraw/zinc/74/32/68/510743268.db2.gz GFLUQEGNFAOQMF-OAQYLSRUSA-N 1 3 351.494 2.757 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246967351 510773605 /nfs/dbraw/zinc/77/36/05/510773605.db2.gz IFDQBJXZRSLDDQ-GZBFAFLISA-N 1 3 353.894 2.996 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246967351 510773609 /nfs/dbraw/zinc/77/36/09/510773609.db2.gz IFDQBJXZRSLDDQ-GZBFAFLISA-N 1 3 353.894 2.996 20 0 FFADHO CC[C@@H](C)[C@H](N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000178848515 510802352 /nfs/dbraw/zinc/80/23/52/510802352.db2.gz DBZCRWCXOJSOHH-XLIONFOSSA-N 1 3 361.530 2.547 20 0 FFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247142563 510844219 /nfs/dbraw/zinc/84/42/19/510844219.db2.gz WIIICZHVHDCBIZ-QRVBRYPASA-N 1 3 353.551 2.647 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263813927 510848296 /nfs/dbraw/zinc/84/82/96/510848296.db2.gz NVVWHAKBZCWNDR-OAQYLSRUSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C1CC1 ZINC000247347129 510858058 /nfs/dbraw/zinc/85/80/58/510858058.db2.gz JSSXENHHPAGMLS-TWFHAPMSSA-N 1 3 372.557 2.925 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C1CC1 ZINC000247347129 510858059 /nfs/dbraw/zinc/85/80/59/510858059.db2.gz JSSXENHHPAGMLS-TWFHAPMSSA-N 1 3 372.557 2.925 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)C1CC1 ZINC000247513763 510863774 /nfs/dbraw/zinc/86/37/74/510863774.db2.gz ZDFJUNQZKKHRIC-CRAIPNDOSA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)C1CC1 ZINC000247513763 510863775 /nfs/dbraw/zinc/86/37/75/510863775.db2.gz ZDFJUNQZKKHRIC-CRAIPNDOSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293899109 510890481 /nfs/dbraw/zinc/89/04/81/510890481.db2.gz WJDFQPURWUQZTL-SFHVURJKSA-N 1 3 374.529 2.712 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297362515 510917070 /nfs/dbraw/zinc/91/70/70/510917070.db2.gz DAWSCRALUZNQFS-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000360669184 510933027 /nfs/dbraw/zinc/93/30/27/510933027.db2.gz BKJGWNRRNDFUCC-NJDAHSKKSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000360669184 510933031 /nfs/dbraw/zinc/93/30/31/510933031.db2.gz BKJGWNRRNDFUCC-NJDAHSKKSA-N 1 3 370.541 2.634 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3ccc(OC)cc3C2)[C@H](C)C1 ZINC000297507204 510971879 /nfs/dbraw/zinc/97/18/79/510971879.db2.gz CJDMPCVFILSTNF-KPFFTGBYSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3ccc(OC)cc3C2)[C@H](C)C1 ZINC000297507204 510971884 /nfs/dbraw/zinc/97/18/84/510971884.db2.gz CJDMPCVFILSTNF-KPFFTGBYSA-N 1 3 362.514 2.725 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1(C)C ZINC000282431406 510974456 /nfs/dbraw/zinc/97/44/56/510974456.db2.gz RJDLMKZWNYDZRY-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294407644 511054430 /nfs/dbraw/zinc/05/44/30/511054430.db2.gz SVIWGWFACSHTCY-QGZVFWFLSA-N 1 3 374.529 2.710 20 0 FFADHO COCCCN(CCOC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271120345 511088697 /nfs/dbraw/zinc/08/86/97/511088697.db2.gz JORUGYHATZBHED-UHFFFAOYSA-N 1 3 363.546 2.702 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000271379387 511184688 /nfs/dbraw/zinc/18/46/88/511184688.db2.gz JFHNNNFYHCZZEG-HXUWFJFHSA-N 1 3 356.514 2.821 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000271379387 511184690 /nfs/dbraw/zinc/18/46/90/511184690.db2.gz JFHNNNFYHCZZEG-HXUWFJFHSA-N 1 3 356.514 2.821 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000365053088 511228169 /nfs/dbraw/zinc/22/81/69/511228169.db2.gz JQERHOMEAIFEED-PWRODBHTSA-N 1 3 373.541 2.663 20 0 FFADHO O=C(c1ccccc1)N1CC[C@@H](CN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000283097129 511234320 /nfs/dbraw/zinc/23/43/20/511234320.db2.gz LOWSGCJOHCJLDV-PMACEKPBSA-N 1 3 355.526 2.957 20 0 FFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000283097129 511234324 /nfs/dbraw/zinc/23/43/24/511234324.db2.gz LOWSGCJOHCJLDV-PMACEKPBSA-N 1 3 355.526 2.957 20 0 FFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000283097129 511234330 /nfs/dbraw/zinc/23/43/30/511234330.db2.gz LOWSGCJOHCJLDV-PMACEKPBSA-N 1 3 355.526 2.957 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H]1C ZINC000279873280 511247802 /nfs/dbraw/zinc/24/78/02/511247802.db2.gz JSGQGHHACWDZKU-PBEJRMEISA-N 1 3 374.525 2.711 20 0 FFADHO COc1cc(OC)c(CC[NH2+]C2CCN(c3ccncc3)CC2)c(OC)c1 ZINC000298601475 511342965 /nfs/dbraw/zinc/34/29/65/511342965.db2.gz ZDSWKVLJBMUEDG-UHFFFAOYSA-N 1 3 371.481 2.909 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333753055 511345680 /nfs/dbraw/zinc/34/56/80/511345680.db2.gz KFKOCTSOMVMTKD-ZWKOTPCHSA-N 1 3 350.551 2.720 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280148437 511353503 /nfs/dbraw/zinc/35/35/03/511353503.db2.gz FBWOVUSOSUOMSA-ZWKOTPCHSA-N 1 3 363.546 2.813 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363250098 511444034 /nfs/dbraw/zinc/44/40/34/511444034.db2.gz IUSPYWZVSWLCRV-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363250098 511444036 /nfs/dbraw/zinc/44/40/36/511444036.db2.gz IUSPYWZVSWLCRV-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000272166327 511452409 /nfs/dbraw/zinc/45/24/09/511452409.db2.gz BGVSXTBGNAXYPL-ZVZYQTTQSA-N 1 3 369.431 2.637 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000284126836 511615243 /nfs/dbraw/zinc/61/52/43/511615243.db2.gz OADWSYHTYNLWLW-VXKWHMMOSA-N 1 3 359.558 2.941 20 0 FFADHO COc1ncc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000284394009 511708265 /nfs/dbraw/zinc/70/82/65/511708265.db2.gz PJABPTFCMUGIGH-ZLIFDBKOSA-N 1 3 353.894 2.772 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000303524920 511741511 /nfs/dbraw/zinc/74/15/11/511741511.db2.gz ZWGISOUFHBSOEK-RBUKOAKNSA-N 1 3 360.546 2.928 20 0 FFADHO CCC[C@H](C)C(=O)NCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000292859505 511747853 /nfs/dbraw/zinc/74/78/53/511747853.db2.gz ZYZPAGHCOSXWMY-SFHVURJKSA-N 1 3 374.573 2.859 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)[C@H]1c1ccccc1 ZINC000296552935 511794137 /nfs/dbraw/zinc/79/41/37/511794137.db2.gz RHDKTUJLFMDSEO-WOJBJXKFSA-N 1 3 356.514 2.748 20 0 FFADHO OC[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000292986352 511795590 /nfs/dbraw/zinc/79/55/90/511795590.db2.gz BSNGUNNEGVXRDL-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000292986352 511795594 /nfs/dbraw/zinc/79/55/94/511795594.db2.gz BSNGUNNEGVXRDL-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@H](CO)CC2)CC1 ZINC000292986352 511795599 /nfs/dbraw/zinc/79/55/99/511795599.db2.gz BSNGUNNEGVXRDL-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@H](CO)CC2)CC1 ZINC000292986352 511795602 /nfs/dbraw/zinc/79/56/02/511795602.db2.gz BSNGUNNEGVXRDL-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO CSCCCN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000281430875 511844553 /nfs/dbraw/zinc/84/45/53/511844553.db2.gz PGHNRECDLPCRJQ-QGZVFWFLSA-N 1 3 363.571 2.841 20 0 FFADHO CN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC[NH+](C)CC1 ZINC000285299710 512069062 /nfs/dbraw/zinc/06/90/62/512069062.db2.gz YCRCEZAGOGIXDK-GOSISDBHSA-N 1 3 365.468 2.696 20 0 FFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282120942 512082406 /nfs/dbraw/zinc/08/24/06/512082406.db2.gz ASRVRZMUFQFYSN-DLBZAZTESA-N 1 3 363.546 2.811 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000364389613 512106003 /nfs/dbraw/zinc/10/60/03/512106003.db2.gz XMNQXQYUNWHMNY-NJDAHSKKSA-N 1 3 373.541 2.663 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)N(C)C)cc1 ZINC000367467438 512514114 /nfs/dbraw/zinc/51/41/14/512514114.db2.gz ORHGKPPLFRFKEK-IBGZPJMESA-N 1 3 358.530 2.868 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000377937082 512520076 /nfs/dbraw/zinc/52/00/76/512520076.db2.gz FJMLXERKNMWBPO-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000377937082 512520079 /nfs/dbraw/zinc/52/00/79/512520079.db2.gz FJMLXERKNMWBPO-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000367625781 512590904 /nfs/dbraw/zinc/59/09/04/512590904.db2.gz YYANAACYUMQCRH-HJWJTTGWSA-N 1 3 366.889 2.607 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000367625781 512590908 /nfs/dbraw/zinc/59/09/08/512590908.db2.gz YYANAACYUMQCRH-HJWJTTGWSA-N 1 3 366.889 2.607 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000367625781 512590912 /nfs/dbraw/zinc/59/09/12/512590912.db2.gz YYANAACYUMQCRH-HJWJTTGWSA-N 1 3 366.889 2.607 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@]3(F)c3ccccc3)CC2)CC1 ZINC000411770371 512803359 /nfs/dbraw/zinc/80/33/59/512803359.db2.gz XTQWKGGOTCVXOM-FPOVZHCZSA-N 1 3 359.489 2.546 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000372419527 512865618 /nfs/dbraw/zinc/86/56/18/512865618.db2.gz CSKVBRALAMJPTQ-XLIONFOSSA-N 1 3 359.514 2.728 20 0 FFADHO C[C@@H](CCNC(=O)[C@H]1CNCc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000379661234 512870758 /nfs/dbraw/zinc/87/07/58/512870758.db2.gz DSRBEZNOKPDRQQ-UWJYYQICSA-N 1 3 351.494 2.900 20 0 FFADHO C[C@@H](CCNC(=O)[C@H]1CNCc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000379661234 512870762 /nfs/dbraw/zinc/87/07/62/512870762.db2.gz DSRBEZNOKPDRQQ-UWJYYQICSA-N 1 3 351.494 2.900 20 0 FFADHO O=C(N[C@H]1CCC[NH2+]CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000372504806 512907605 /nfs/dbraw/zinc/90/76/05/512907605.db2.gz RQJCZNAITCHDPO-FUHWJXTLSA-N 1 3 369.431 2.699 20 0 FFADHO COC1([C@@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCC1 ZINC000412030281 512918787 /nfs/dbraw/zinc/91/87/87/512918787.db2.gz ZLOBRAFQKGPFKM-GOSISDBHSA-N 1 3 373.541 2.623 20 0 FFADHO CC(C)COC[C@@H](O)CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368388370 512925262 /nfs/dbraw/zinc/92/52/62/512925262.db2.gz QTJVUYHOWDVJRJ-HKUYNNGSSA-N 1 3 362.514 2.598 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000397964228 512950189 /nfs/dbraw/zinc/95/01/89/512950189.db2.gz ANSUCWUPNIRNNS-VOQZNFBZSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000397964228 512950193 /nfs/dbraw/zinc/95/01/93/512950193.db2.gz ANSUCWUPNIRNNS-VOQZNFBZSA-N 1 3 363.505 2.900 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)[C@H](C)C1 ZINC000412125168 512970948 /nfs/dbraw/zinc/97/09/48/512970948.db2.gz GOYJDZKYJAKMNJ-GFEQUFNTSA-N 1 3 353.551 2.501 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)[C@H](C)C1 ZINC000412125168 512970951 /nfs/dbraw/zinc/97/09/51/512970951.db2.gz GOYJDZKYJAKMNJ-GFEQUFNTSA-N 1 3 353.551 2.501 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1=CCN(C)CC1 ZINC000374737172 512978935 /nfs/dbraw/zinc/97/89/35/512978935.db2.gz SNTJMKVETBGABO-FHWLQOOXSA-N 1 3 362.562 2.933 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1=CCN(C)CC1 ZINC000374737172 512978938 /nfs/dbraw/zinc/97/89/38/512978938.db2.gz SNTJMKVETBGABO-FHWLQOOXSA-N 1 3 362.562 2.933 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370708155 513064283 /nfs/dbraw/zinc/06/42/83/513064283.db2.gz PDIYJFOMCVDCLR-WIYYLYMNSA-N 1 3 367.541 2.843 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370708155 513064286 /nfs/dbraw/zinc/06/42/86/513064286.db2.gz PDIYJFOMCVDCLR-WIYYLYMNSA-N 1 3 367.541 2.843 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)(N2CCCCC2)CC1 ZINC000370738038 513078723 /nfs/dbraw/zinc/07/87/23/513078723.db2.gz HGWWPPZBESTYIC-HOTGVXAUSA-N 1 3 363.468 2.636 20 0 FFADHO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000445896339 513141776 /nfs/dbraw/zinc/14/17/76/513141776.db2.gz ZPJXVIKVARSDOI-HZPDHXFCSA-N 1 3 359.436 2.972 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417673072 513152121 /nfs/dbraw/zinc/15/21/21/513152121.db2.gz VLEBCCGYYANWFU-RTWAWAEBSA-N 1 3 370.541 2.682 20 0 FFADHO CN(C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000417676728 513155498 /nfs/dbraw/zinc/15/54/98/513155498.db2.gz DSAVKGZZXYEOCA-FQEVSTJZSA-N 1 3 372.557 2.853 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417684572 513159105 /nfs/dbraw/zinc/15/91/05/513159105.db2.gz NZZLJEJSQRCFGL-UXHICEINSA-N 1 3 372.557 2.853 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417690020 513163449 /nfs/dbraw/zinc/16/34/49/513163449.db2.gz KRRMDLPVPKQVKT-ZIFCJYIRSA-N 1 3 358.530 2.838 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417690577 513163839 /nfs/dbraw/zinc/16/38/39/513163839.db2.gz VGQBJZKKGYLNRY-DENIHFKCSA-N 1 3 372.557 2.840 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417693284 513166872 /nfs/dbraw/zinc/16/68/72/513166872.db2.gz ZQGALXYOXKUCGK-WOJBJXKFSA-N 1 3 372.557 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1ccccc1 ZINC000433899560 513180872 /nfs/dbraw/zinc/18/08/72/513180872.db2.gz ZZSRAHHAWMCWKN-AABGKKOBSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1ccccc1 ZINC000433899560 513180876 /nfs/dbraw/zinc/18/08/76/513180876.db2.gz ZZSRAHHAWMCWKN-AABGKKOBSA-N 1 3 356.514 2.748 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000433963202 513199945 /nfs/dbraw/zinc/19/99/45/513199945.db2.gz WAOXZPSKWMFDOU-HXUWFJFHSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000417826386 513223735 /nfs/dbraw/zinc/22/37/35/513223735.db2.gz CHSQPQAICWKALA-AFYVEPGGSA-N 1 3 358.530 2.856 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000417827273 513224335 /nfs/dbraw/zinc/22/43/35/513224335.db2.gz DDCPRKTZIMTKHS-IZBJGVDFSA-N 1 3 358.530 2.666 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000417836353 513228482 /nfs/dbraw/zinc/22/84/82/513228482.db2.gz LPWBRQPJOPGGQF-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000417837718 513230716 /nfs/dbraw/zinc/23/07/16/513230716.db2.gz XQUMTOOZGXKGEK-AABGKKOBSA-N 1 3 351.494 2.914 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000446378578 513249924 /nfs/dbraw/zinc/24/99/24/513249924.db2.gz VPRROJPAXFCDOR-ABXWHYIOSA-N 1 3 373.541 2.765 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC4(CCCC4)C3)CC2)CC1 ZINC000446515727 513275296 /nfs/dbraw/zinc/27/52/96/513275296.db2.gz ULLXIIDXTSTGGQ-UHFFFAOYSA-N 1 3 362.562 2.911 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCC1 ZINC000446568020 513282279 /nfs/dbraw/zinc/28/22/79/513282279.db2.gz ZQAUCXUQZMCXBB-OAHLLOKOSA-N 1 3 350.532 2.669 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)[C@@H]1c1ccccc1 ZINC000417938730 513290531 /nfs/dbraw/zinc/29/05/31/513290531.db2.gz JSZPNFMRRPOGGL-MOPGFXCFSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000429156196 513294283 /nfs/dbraw/zinc/29/42/83/513294283.db2.gz DYXOCQQJBOPRBU-HFTRVMKXSA-N 1 3 369.431 2.637 20 0 FFADHO CCn1nncc1CNCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000417973398 513310799 /nfs/dbraw/zinc/31/07/99/513310799.db2.gz USRPTQQQAUMSLE-ROUUACIJSA-N 1 3 371.529 2.597 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446744492 513329516 /nfs/dbraw/zinc/32/95/16/513329516.db2.gz NXTYMSBGMBJVQG-FXAWDEMLSA-N 1 3 357.502 2.740 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000418005183 513330734 /nfs/dbraw/zinc/33/07/34/513330734.db2.gz DCSBPOLTORLWDP-YLJYHZDGSA-N 1 3 358.530 2.538 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000418007260 513332089 /nfs/dbraw/zinc/33/20/89/513332089.db2.gz FYEDPYBPQLQZMC-PXNSSMCTSA-N 1 3 358.530 2.538 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415587047 513339238 /nfs/dbraw/zinc/33/92/38/513339238.db2.gz YQTIBNHRYUVQKM-FQEVSTJZSA-N 1 3 352.482 2.799 20 0 FFADHO CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000446832174 513346478 /nfs/dbraw/zinc/34/64/78/513346478.db2.gz MUQTYCRTRTYLMD-SCYNCJNCSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCN1Cc1ccccc1 ZINC000418041136 513348926 /nfs/dbraw/zinc/34/89/26/513348926.db2.gz KBIXRXJARGHFLT-VWPQPMDRSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418129273 513383633 /nfs/dbraw/zinc/38/36/33/513383633.db2.gz BFAATIXMWUUWIO-PMACEKPBSA-N 1 3 360.546 2.912 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418154572 513394505 /nfs/dbraw/zinc/39/45/05/513394505.db2.gz JWDZFLZMMIRKCY-QYZOEREBSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418160510 513397570 /nfs/dbraw/zinc/39/75/70/513397570.db2.gz RZHPFRUHLCJERY-JRGCBEDISA-N 1 3 366.509 2.691 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccco1 ZINC000418168005 513402747 /nfs/dbraw/zinc/40/27/47/513402747.db2.gz NIVFUEVRWDIZAX-RDJZCZTQSA-N 1 3 350.507 2.740 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC2(C1)CC[NH2+]CC2)N(C)C ZINC000418180317 513408069 /nfs/dbraw/zinc/40/80/69/513408069.db2.gz KFVAZOMQUJUBIJ-MJGOQNOKSA-N 1 3 358.530 2.771 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC000418184764 513410028 /nfs/dbraw/zinc/41/00/28/513410028.db2.gz AALAXVOEBFOGGN-QUCCMNQESA-N 1 3 370.541 2.825 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418186306 513411478 /nfs/dbraw/zinc/41/14/78/513411478.db2.gz CFDWWFCERLXBMB-AZUAARDMSA-N 1 3 360.546 2.787 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N(C)C ZINC000418191023 513414919 /nfs/dbraw/zinc/41/49/19/513414919.db2.gz XBEXWFXOWWEGMN-CUWPLCDZSA-N 1 3 358.530 2.771 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)CCN1Cc1ccccc1 ZINC000418192211 513414929 /nfs/dbraw/zinc/41/49/29/513414929.db2.gz LZWGIIGVOXDQNW-NQIIRXRSSA-N 1 3 366.509 2.820 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418208087 513421967 /nfs/dbraw/zinc/42/19/67/513421967.db2.gz QDIYRBWREXNAKU-MJGOQNOKSA-N 1 3 364.534 2.749 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)N(CC)CC)cc1 ZINC000418217508 513426496 /nfs/dbraw/zinc/42/64/96/513426496.db2.gz PFHUOKFLJXYTNN-UXPWSPDFSA-N 1 3 360.546 2.929 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)N(CC)CC)cc1 ZINC000418223144 513429536 /nfs/dbraw/zinc/42/95/36/513429536.db2.gz YHIOKEBENCNENV-HBMCJLEFSA-N 1 3 372.557 2.883 20 0 FFADHO C[C@H](C[NH3+])N(C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415805328 513430284 /nfs/dbraw/zinc/43/02/84/513430284.db2.gz MLSMIQPGLAQSGR-GFCCVEGCSA-N 1 3 354.882 2.624 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418227241 513430501 /nfs/dbraw/zinc/43/05/01/513430501.db2.gz CCCHOWRHKIPTQC-FUHWJXTLSA-N 1 3 362.543 2.547 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000418240525 513437769 /nfs/dbraw/zinc/43/77/69/513437769.db2.gz ZQOUKWHCWSTVKS-WBVHZDCISA-N 1 3 352.548 2.828 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC1 ZINC000418250255 513442067 /nfs/dbraw/zinc/44/20/67/513442067.db2.gz UTGGDSVKVUIHPA-BGYRXZFFSA-N 1 3 370.541 2.682 20 0 FFADHO COC1([C@@H](C)[NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCCC1 ZINC000421840614 513449786 /nfs/dbraw/zinc/44/97/86/513449786.db2.gz ZZZNYTIVHYKRQO-YLJYHZDGSA-N 1 3 373.541 2.821 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC[NH2+]C1CC1 ZINC000418300079 513455874 /nfs/dbraw/zinc/45/58/74/513455874.db2.gz MHGJOSXGWSDXOR-UHFFFAOYSA-N 1 3 352.910 2.555 20 0 FFADHO CCCN(C(=O)NC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418304516 513457403 /nfs/dbraw/zinc/45/74/03/513457403.db2.gz FZHGWUHJTOEKJD-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000441011487 513459787 /nfs/dbraw/zinc/45/97/87/513459787.db2.gz KGLHTCHMAHGVTF-MOPGFXCFSA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000441011487 513459797 /nfs/dbraw/zinc/45/97/97/513459797.db2.gz KGLHTCHMAHGVTF-MOPGFXCFSA-N 1 3 362.562 2.959 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418330408 513465316 /nfs/dbraw/zinc/46/53/16/513465316.db2.gz BSZVZWNIZOFYLQ-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418337813 513470816 /nfs/dbraw/zinc/47/08/16/513470816.db2.gz BXYWZZCQOBAECW-PBHICJAKSA-N 1 3 352.910 2.632 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418346742 513475265 /nfs/dbraw/zinc/47/52/65/513475265.db2.gz CPGOZHFLDXXGSN-OAQYLSRUSA-N 1 3 366.509 2.692 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418377683 513488145 /nfs/dbraw/zinc/48/81/45/513488145.db2.gz HLILAAHPZQKGQL-INIZCTEOSA-N 1 3 372.435 2.531 20 0 FFADHO [NH3+]C1CCC(NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000418388915 513493304 /nfs/dbraw/zinc/49/33/04/513493304.db2.gz QQVQWSHKZNQYEK-UHFFFAOYSA-N 1 3 358.530 2.606 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418430781 513507257 /nfs/dbraw/zinc/50/72/57/513507257.db2.gz VNVSFHRVSTXZGQ-GOSISDBHSA-N 1 3 361.534 2.703 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976875 513512141 /nfs/dbraw/zinc/51/21/41/513512141.db2.gz VZLBYINECXTEIQ-GFCCVEGCSA-N 1 3 358.408 2.970 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976875 513512146 /nfs/dbraw/zinc/51/21/46/513512146.db2.gz VZLBYINECXTEIQ-GFCCVEGCSA-N 1 3 358.408 2.970 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418488777 513529808 /nfs/dbraw/zinc/52/98/08/513529808.db2.gz NGZLUJMFFJCILJ-HXUWFJFHSA-N 1 3 354.498 2.967 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)NCC1C[NH2+]C1)Cc1ccccc1 ZINC000418493670 513532294 /nfs/dbraw/zinc/53/22/94/513532294.db2.gz WQLUOZUMDYNOBU-UHFFFAOYSA-N 1 3 366.509 2.550 20 0 FFADHO CN(C)c1ncc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC000425376026 513534483 /nfs/dbraw/zinc/53/44/83/513534483.db2.gz DLZNRUWRBBWYMX-UHFFFAOYSA-N 1 3 367.541 2.974 20 0 FFADHO C[N@H+]1CCN(CCNCc2cc(Br)ccc2F)CC1(C)C ZINC000441329653 513542210 /nfs/dbraw/zinc/54/22/10/513542210.db2.gz CWWBMFNCHTTYCZ-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO C[N@@H+]1CCN(CCNCc2cc(Br)ccc2F)CC1(C)C ZINC000441329653 513542205 /nfs/dbraw/zinc/54/22/05/513542205.db2.gz CWWBMFNCHTTYCZ-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO C[C@@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCCN1Cc1ccccc1 ZINC000416025093 513544899 /nfs/dbraw/zinc/54/48/99/513544899.db2.gz GTBVXHJFYNSSRF-RDJZCZTQSA-N 1 3 372.435 2.620 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000418535786 513547215 /nfs/dbraw/zinc/54/72/15/513547215.db2.gz IBZAYNLWVGBWLA-NRFANRHFSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418541621 513549960 /nfs/dbraw/zinc/54/99/60/513549960.db2.gz FAFVNRMKQGNYEX-ONCXSQPRSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418544448 513551611 /nfs/dbraw/zinc/55/16/11/513551611.db2.gz UXAWQZZKFBHAFD-XLIONFOSSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418544449 513551642 /nfs/dbraw/zinc/55/16/42/513551642.db2.gz UXAWQZZKFBHAFD-YLJYHZDGSA-N 1 3 356.514 2.601 20 0 FFADHO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)N(C)C ZINC000413258668 513551775 /nfs/dbraw/zinc/55/17/75/513551775.db2.gz FDLRRKPNAYAPSG-MRXNPFEDSA-N 1 3 370.335 2.680 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000418557550 513556856 /nfs/dbraw/zinc/55/68/56/513556856.db2.gz RLMHEYYFBKYGOI-UHFFFAOYSA-N 1 3 368.481 2.689 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416052501 513557609 /nfs/dbraw/zinc/55/76/09/513557609.db2.gz UTWZQWNYXNIJFT-AWEZNQCLSA-N 1 3 352.445 2.564 20 0 FFADHO CC(C)(C)N1CC[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000425447529 513572067 /nfs/dbraw/zinc/57/20/67/513572067.db2.gz POJAZVJJSGSVEG-UFYCRDLUSA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)(C)N1CC[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000425447529 513572074 /nfs/dbraw/zinc/57/20/74/513572074.db2.gz POJAZVJJSGSVEG-UFYCRDLUSA-N 1 3 355.526 2.840 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418625568 513580877 /nfs/dbraw/zinc/58/08/77/513580877.db2.gz QNTDSTGOOFZJMQ-SFHVURJKSA-N 1 3 366.937 2.931 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000422139013 513594416 /nfs/dbraw/zinc/59/44/16/513594416.db2.gz KWEBKVSTGHUEOI-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000422139013 513594420 /nfs/dbraw/zinc/59/44/20/513594420.db2.gz KWEBKVSTGHUEOI-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418711437 513620904 /nfs/dbraw/zinc/62/09/04/513620904.db2.gz FUGJSFGQJRRSHI-SLFFLAALSA-N 1 3 373.545 2.595 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000448015059 513657901 /nfs/dbraw/zinc/65/79/01/513657901.db2.gz FCENPHLCQWRTJV-GOSISDBHSA-N 1 3 362.518 2.869 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418794175 513660355 /nfs/dbraw/zinc/66/03/55/513660355.db2.gz PEAIFJFXIPREFR-GUDVDZBRSA-N 1 3 350.551 2.528 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418796008 513661623 /nfs/dbraw/zinc/66/16/23/513661623.db2.gz RBEMSNSNTUMUBF-PWRODBHTSA-N 1 3 372.557 2.581 20 0 FFADHO CCCN(CCN1CCN(CC)CC1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416235234 513665664 /nfs/dbraw/zinc/66/56/64/513665664.db2.gz SJDDUDFSRULCQD-OAQYLSRUSA-N 1 3 374.573 2.556 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)N1CCc2ccccc2C1 ZINC000425654848 513681896 /nfs/dbraw/zinc/68/18/96/513681896.db2.gz QQABMAZCGQDFSM-PWRODBHTSA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)N1CCc2ccccc2C1 ZINC000425654848 513681904 /nfs/dbraw/zinc/68/19/04/513681904.db2.gz QQABMAZCGQDFSM-PWRODBHTSA-N 1 3 370.541 2.559 20 0 FFADHO [NH3+]CCCOC1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000430550889 513685110 /nfs/dbraw/zinc/68/51/10/513685110.db2.gz HBUKSMTWGOCMPV-UHFFFAOYSA-N 1 3 373.419 2.864 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCC[C@H]1C ZINC000448201041 513704745 /nfs/dbraw/zinc/70/47/45/513704745.db2.gz RIJLQPLCQNZXPM-SOAMZJECSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCC[C@H]1C ZINC000448201041 513704756 /nfs/dbraw/zinc/70/47/56/513704756.db2.gz RIJLQPLCQNZXPM-SOAMZJECSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCC[C@H]1C ZINC000448201042 513705268 /nfs/dbraw/zinc/70/52/68/513705268.db2.gz RIJLQPLCQNZXPM-XSYGEPLQSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCC[C@H]1C ZINC000448201042 513705271 /nfs/dbraw/zinc/70/52/71/513705271.db2.gz RIJLQPLCQNZXPM-XSYGEPLQSA-N 1 3 362.562 2.908 20 0 FFADHO N[C@H](CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000448239129 513716410 /nfs/dbraw/zinc/71/64/10/513716410.db2.gz IJOMPKJSOIXNNG-OAQYLSRUSA-N 1 3 367.493 2.868 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000430675996 513719097 /nfs/dbraw/zinc/71/90/97/513719097.db2.gz BYPAFOYJIVEXID-FUHWJXTLSA-N 1 3 359.514 2.608 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000430775116 513745639 /nfs/dbraw/zinc/74/56/39/513745639.db2.gz IUYBDTAVHLIQGN-LEWJYISDSA-N 1 3 373.541 2.557 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000430917295 513779711 /nfs/dbraw/zinc/77/97/11/513779711.db2.gz YJHWMGZOERLBSF-VCYXJBJXSA-N 1 3 373.541 2.733 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000430913635 513780343 /nfs/dbraw/zinc/78/03/43/513780343.db2.gz WVNVKCNHWUUUBB-PMACEKPBSA-N 1 3 361.530 2.583 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431032262 513809943 /nfs/dbraw/zinc/80/99/43/513809943.db2.gz ILXKJFRIFRMAHT-IAGOWNOFSA-N 1 3 356.514 2.840 20 0 FFADHO O=C(N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436294990 513819577 /nfs/dbraw/zinc/81/95/77/513819577.db2.gz XYKQMDBSWIJKEF-AKIFATBCSA-N 1 3 367.537 2.891 20 0 FFADHO CCCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC[NH2+]CC1 ZINC000431085679 513822543 /nfs/dbraw/zinc/82/25/43/513822543.db2.gz OPVOOAHNWOVGBS-UHFFFAOYSA-N 1 3 372.513 2.606 20 0 FFADHO c1ccc(CN2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)nc1 ZINC000436481153 513868875 /nfs/dbraw/zinc/86/88/75/513868875.db2.gz QNNLKKVOMUGFNR-UHFFFAOYSA-N 1 3 351.498 2.700 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000443231986 513907836 /nfs/dbraw/zinc/90/78/36/513907836.db2.gz AAUJZJZDYHGJAR-LXPRWKDFSA-N 1 3 352.567 2.869 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422720342 513912019 /nfs/dbraw/zinc/91/20/19/513912019.db2.gz ZFVHPDAPNXHQNH-SLFFLAALSA-N 1 3 364.555 2.892 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422725787 513914085 /nfs/dbraw/zinc/91/40/85/513914085.db2.gz CIPOKEUIRZSZIT-MGHWNKPDSA-N 1 3 371.447 2.622 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCN1C ZINC000443284790 513920647 /nfs/dbraw/zinc/92/06/47/513920647.db2.gz CQLWMEMJDNGZDP-RPUPUWCGSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCN1C ZINC000443284790 513920654 /nfs/dbraw/zinc/92/06/54/513920654.db2.gz CQLWMEMJDNGZDP-RPUPUWCGSA-N 1 3 355.526 2.888 20 0 FFADHO O=C1CCCCCN1CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422759443 513924641 /nfs/dbraw/zinc/92/46/41/513924641.db2.gz PARPQXUDQIPUFT-NQIIRXRSSA-N 1 3 357.498 2.625 20 0 FFADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422765141 513926188 /nfs/dbraw/zinc/92/61/88/513926188.db2.gz KMNZOVDBJVVDAR-RTBURBONSA-N 1 3 365.543 2.611 20 0 FFADHO CN1CCN(c2ccc(C(F)(F)F)cc2CN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422782494 513930515 /nfs/dbraw/zinc/93/05/15/513930515.db2.gz NERDQPFDVKBVGI-YOEHRIQHSA-N 1 3 370.463 2.674 20 0 FFADHO COC[C@H](CCC[NH3+])NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422842166 513949607 /nfs/dbraw/zinc/94/96/07/513949607.db2.gz FCZGCWMYSLISFE-IBGZPJMESA-N 1 3 359.445 2.922 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422855883 513953643 /nfs/dbraw/zinc/95/36/43/513953643.db2.gz DCINWDFUFZAVHN-GOEBONIOSA-N 1 3 368.319 2.676 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422853531 513954254 /nfs/dbraw/zinc/95/42/54/513954254.db2.gz ZBVGTMZAPWPTKG-GKCIPKSASA-N 1 3 371.456 2.920 20 0 FFADHO C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCN(c2ccccc2)CC1 ZINC000422856834 513955686 /nfs/dbraw/zinc/95/56/86/513955686.db2.gz GRQCVQHNZWSDIZ-QTEQDKRBSA-N 1 3 366.553 2.745 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccc(OCC)c(F)c2)CC[NH2+]CC1 ZINC000422864197 513956025 /nfs/dbraw/zinc/95/60/25/513956025.db2.gz UNVSQJHIJFCSFY-AWEZNQCLSA-N 1 3 352.450 2.635 20 0 FFADHO Cc1cccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCOCC2)c1 ZINC000422870889 513957726 /nfs/dbraw/zinc/95/77/26/513957726.db2.gz ZLHNTZQXLNOQHY-OIBXWCBGSA-N 1 3 367.537 2.916 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000416781259 513964096 /nfs/dbraw/zinc/96/40/96/513964096.db2.gz DLUXZKNDKJFUBF-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO Cc1ccoc1C(=O)NCCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422927596 513978523 /nfs/dbraw/zinc/97/85/23/513978523.db2.gz ZERIXJZXRNKIAD-DYESRHJHSA-N 1 3 369.465 2.553 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422946953 513987028 /nfs/dbraw/zinc/98/70/28/513987028.db2.gz XKMIVUJXLNFXTQ-APWZRJJASA-N 1 3 350.938 2.569 20 0 FFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422946953 513987036 /nfs/dbraw/zinc/98/70/36/513987036.db2.gz XKMIVUJXLNFXTQ-APWZRJJASA-N 1 3 350.938 2.569 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)c2cccs2)CC1 ZINC000416828490 513987419 /nfs/dbraw/zinc/98/74/19/513987419.db2.gz DWSOAQPLHRHQBQ-HOTGVXAUSA-N 1 3 350.532 2.558 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)N2CCCC2)cc1 ZINC000416833937 513990760 /nfs/dbraw/zinc/99/07/60/513990760.db2.gz XOEKUEGMOKODPG-PMACEKPBSA-N 1 3 374.529 2.649 20 0 FFADHO CC(C)(CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000416837653 513993880 /nfs/dbraw/zinc/99/38/80/513993880.db2.gz XPWOJXWETRWJFT-ROUUACIJSA-N 1 3 350.551 2.815 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422961622 513994386 /nfs/dbraw/zinc/99/43/86/513994386.db2.gz COHOGIPNMRCCCS-BHDDXSALSA-N 1 3 368.525 2.860 20 0 FFADHO O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N(Cc2ccccc2)C1 ZINC000422968610 513995201 /nfs/dbraw/zinc/99/52/01/513995201.db2.gz XGYOTLWTHRQMFQ-ZGJYDULXSA-N 1 3 357.542 2.522 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)N1CCCC1 ZINC000416841417 513997401 /nfs/dbraw/zinc/99/74/01/513997401.db2.gz MABSWBJTBLFDFR-JKSUJKDBSA-N 1 3 350.532 2.716 20 0 FFADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)ncn1 ZINC000422985637 513998736 /nfs/dbraw/zinc/99/87/36/513998736.db2.gz FPAGJGWVACXMAP-YJBOKZPZSA-N 1 3 354.502 2.521 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000416847577 514000108 /nfs/dbraw/zinc/00/01/08/514000108.db2.gz VJZMTBXCEHBTCX-LJQANCHMSA-N 1 3 358.530 2.855 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCCc3ccc(F)cc32)(N2CCOCC2)CC1 ZINC000414180481 514000075 /nfs/dbraw/zinc/00/00/75/514000075.db2.gz BFUATTOCKQIHTN-FQEVSTJZSA-N 1 3 361.505 2.589 20 0 FFADHO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@@H]1C ZINC000414180488 514000973 /nfs/dbraw/zinc/00/09/73/514000973.db2.gz BGNHCZSBHNZSBR-ZCNNSNEGSA-N 1 3 351.579 2.833 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000416850512 514001170 /nfs/dbraw/zinc/00/11/70/514001170.db2.gz ZRVCMAUDXHYAMG-XNMUZJSGSA-N 1 3 358.530 2.776 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422994150 514003978 /nfs/dbraw/zinc/00/39/78/514003978.db2.gz UQVZGHCBIHVTQK-BBRMVZONSA-N 1 3 368.319 2.503 20 0 FFADHO CN(C)[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000431803284 514007318 /nfs/dbraw/zinc/00/73/18/514007318.db2.gz XNYLNWMZPWNYRU-FQEVSTJZSA-N 1 3 373.541 2.831 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(F)c(F)c(F)c1 ZINC000414204781 514011316 /nfs/dbraw/zinc/01/13/16/514011316.db2.gz WRQMPCWYARTNAC-CQSZACIVSA-N 1 3 371.447 2.551 20 0 FFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCC[C@@H]3CN)nc12 ZINC000423042541 514016968 /nfs/dbraw/zinc/01/69/68/514016968.db2.gz ZQXYBIOYUQJFFS-DOMZBBRYSA-N 1 3 351.292 2.665 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@H]3CCC[C@@H]3C[NH3+])nc12 ZINC000423042541 514016970 /nfs/dbraw/zinc/01/69/70/514016970.db2.gz ZQXYBIOYUQJFFS-DOMZBBRYSA-N 1 3 351.292 2.665 20 0 FFADHO Cc1cccc(C[C@H](CO)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423053587 514019675 /nfs/dbraw/zinc/01/96/75/514019675.db2.gz ATUWELIMZYQMMQ-SYYKKAFVSA-N 1 3 352.478 2.744 20 0 FFADHO CC(C)[C@@H](C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000443676629 514020000 /nfs/dbraw/zinc/02/00/00/514020000.db2.gz WGHHIQLOMWSZKU-OTWHNJEPSA-N 1 3 353.551 2.503 20 0 FFADHO N[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000416885936 514023600 /nfs/dbraw/zinc/02/36/00/514023600.db2.gz FAJJREDWDUDMJW-FQEVSTJZSA-N 1 3 352.482 2.782 20 0 FFADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423074292 514029063 /nfs/dbraw/zinc/02/90/63/514029063.db2.gz UJRDMZBWZUTYEE-RBSFLKMASA-N 1 3 351.516 2.763 20 0 FFADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423074294 514029315 /nfs/dbraw/zinc/02/93/15/514029315.db2.gz UJRDMZBWZUTYEE-SOUVJXGZSA-N 1 3 351.516 2.763 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423076739 514030713 /nfs/dbraw/zinc/03/07/13/514030713.db2.gz RXSZVVZYOANCGQ-HLLBOEOZSA-N 1 3 355.320 2.707 20 0 FFADHO OC1(C[NH2+][C@@H]2CCc3ccccc3OC2)CCN(Cc2ccccc2)CC1 ZINC000414294919 514038381 /nfs/dbraw/zinc/03/83/81/514038381.db2.gz CJMKTMBJZBKTDS-OAQYLSRUSA-N 1 3 366.505 2.997 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416910792 514040808 /nfs/dbraw/zinc/04/08/08/514040808.db2.gz ZNJJABNFYAYOKN-BGYRXZFFSA-N 1 3 370.541 2.814 20 0 FFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CS(C)(=O)=O)CCC2)CC1 ZINC000414323572 514047220 /nfs/dbraw/zinc/04/72/20/514047220.db2.gz HLVIASOJQLHWEW-WMZOPIPTSA-N 1 3 356.576 2.834 20 0 FFADHO CC(C)(C)OC1CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414329349 514050693 /nfs/dbraw/zinc/05/06/93/514050693.db2.gz AWGBUGZRXNCMSQ-UHFFFAOYSA-N 1 3 373.541 2.820 20 0 FFADHO COC1(C[C@H](C)[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000414334883 514053191 /nfs/dbraw/zinc/05/31/91/514053191.db2.gz GMGQWJDPSPYPKC-KRWDZBQOSA-N 1 3 373.541 2.821 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(OC(F)F)c(F)c2)CC[NH2+]CC1 ZINC000423140444 514058666 /nfs/dbraw/zinc/05/86/66/514058666.db2.gz YHINYQLERVDWGJ-GFCCVEGCSA-N 1 3 374.403 2.838 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423149443 514060037 /nfs/dbraw/zinc/06/00/37/514060037.db2.gz AQJBWBTTYULZRR-XYPHTWIQSA-N 1 3 373.310 2.989 20 0 FFADHO CN(Cc1ccccc1)C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423155584 514063602 /nfs/dbraw/zinc/06/36/02/514063602.db2.gz QUWIZSJFYYKJJS-PCCBWWKXSA-N 1 3 357.542 2.788 20 0 FFADHO CCOC(=O)C1(C(=O)c2ccccc2)CCN(C2CCC([NH3+])CC2)CC1 ZINC000423162216 514066409 /nfs/dbraw/zinc/06/64/09/514066409.db2.gz TXGKMGYQPSYMFV-UHFFFAOYSA-N 1 3 358.482 2.785 20 0 FFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000420277447 514068956 /nfs/dbraw/zinc/06/89/56/514068956.db2.gz UAMJKCWBSDOGAK-WFASDCNBSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000420277447 514068957 /nfs/dbraw/zinc/06/89/57/514068957.db2.gz UAMJKCWBSDOGAK-WFASDCNBSA-N 1 3 354.292 2.979 20 0 FFADHO CCn1nnc(C)c1C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000449105845 514073767 /nfs/dbraw/zinc/07/37/67/514073767.db2.gz JILQNFDXGVHQGT-UHFFFAOYSA-N 1 3 357.502 2.617 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3C[C@@H](C)NC[C@H]3C)cc2)C1 ZINC000416973355 514078555 /nfs/dbraw/zinc/07/85/55/514078555.db2.gz UWNBSJPIBYSDEJ-KZNAEPCWSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3C[C@@H](C)NC[C@H]3C)cc2)C1 ZINC000416973355 514078561 /nfs/dbraw/zinc/07/85/61/514078561.db2.gz UWNBSJPIBYSDEJ-KZNAEPCWSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCNC(C)(C)C1 ZINC000416972865 514078657 /nfs/dbraw/zinc/07/86/57/514078657.db2.gz IVPXEHCYTVEGEY-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCNC(C)(C)C1 ZINC000416972865 514078660 /nfs/dbraw/zinc/07/86/60/514078660.db2.gz IVPXEHCYTVEGEY-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000416982409 514091154 /nfs/dbraw/zinc/09/11/54/514091154.db2.gz WLEPMTNBKQDDOF-HXUWFJFHSA-N 1 3 358.530 2.776 20 0 FFADHO Cc1ccc(SCCNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420330114 514097072 /nfs/dbraw/zinc/09/70/72/514097072.db2.gz ABYGPXLKKRYMHK-QZTJIDSGSA-N 1 3 361.555 2.525 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338050 514098746 /nfs/dbraw/zinc/09/87/46/514098746.db2.gz NQWPSXWKPPEWRL-MELADBBJSA-N 1 3 355.404 2.964 20 0 FFADHO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341890 514101504 /nfs/dbraw/zinc/10/15/04/514101504.db2.gz QPVRFFQABJKUQH-MCIONIFRSA-N 1 3 355.404 2.964 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCc2ccccc2C1 ZINC000417002600 514107788 /nfs/dbraw/zinc/10/77/88/514107788.db2.gz AQIWWQOJEHLKTG-FQEVSTJZSA-N 1 3 370.541 2.608 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417001655 514107854 /nfs/dbraw/zinc/10/78/54/514107854.db2.gz FBNOCEDQSRVGQZ-MJGOQNOKSA-N 1 3 364.559 2.916 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000420366835 514112642 /nfs/dbraw/zinc/11/26/42/514112642.db2.gz UPKWYUBOBVVTNU-IRXDYDNUSA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000420366835 514112643 /nfs/dbraw/zinc/11/26/43/514112643.db2.gz UPKWYUBOBVVTNU-IRXDYDNUSA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000420366835 514112645 /nfs/dbraw/zinc/11/26/45/514112645.db2.gz UPKWYUBOBVVTNU-IRXDYDNUSA-N 1 3 355.486 2.544 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)c1ccsc1 ZINC000417009569 514115424 /nfs/dbraw/zinc/11/54/24/514115424.db2.gz NPAQJAZNZCECSD-INIZCTEOSA-N 1 3 352.548 2.820 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000417012851 514117825 /nfs/dbraw/zinc/11/78/25/514117825.db2.gz XSKRWQICKNLBRC-DJIMGWMZSA-N 1 3 352.548 2.900 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)N1CCc2ccccc2C1 ZINC000417016119 514121326 /nfs/dbraw/zinc/12/13/26/514121326.db2.gz NONAFMMCZQQYNS-XLIONFOSSA-N 1 3 358.530 2.594 20 0 FFADHO C[C@H](Cc1coc2ccccc12)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423382042 514123273 /nfs/dbraw/zinc/12/32/73/514123273.db2.gz GCJZYCKPLRIRGA-CXAGYDPISA-N 1 3 355.404 2.790 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000417033841 514131972 /nfs/dbraw/zinc/13/19/72/514131972.db2.gz FYHYDXOWTPAORW-YLJYHZDGSA-N 1 3 358.530 2.685 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000417033841 514131978 /nfs/dbraw/zinc/13/19/78/514131978.db2.gz FYHYDXOWTPAORW-YLJYHZDGSA-N 1 3 358.530 2.685 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417034964 514133880 /nfs/dbraw/zinc/13/38/80/514133880.db2.gz RWKYQAPWJNESNP-LJQANCHMSA-N 1 3 356.514 2.609 20 0 FFADHO CCS(=O)(=O)N1CC(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449272964 514140567 /nfs/dbraw/zinc/14/05/67/514140567.db2.gz XPWOJDNOWJAVTJ-UHFFFAOYSA-N 1 3 373.607 2.537 20 0 FFADHO COc1ccc([C@H](NC[C@H]2NCCc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000423438513 514141805 /nfs/dbraw/zinc/14/18/05/514141805.db2.gz UXJRYDSENKANHD-VSKRKVRLSA-N 1 3 351.494 2.965 20 0 FFADHO CC(C)C1CCC(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000414487971 514147534 /nfs/dbraw/zinc/14/75/34/514147534.db2.gz STWCUGFVDPTBDU-UHFFFAOYSA-N 1 3 351.579 2.835 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423498203 514152998 /nfs/dbraw/zinc/15/29/98/514152998.db2.gz HSZKOLXAUXFXNU-KXBFYZLASA-N 1 3 361.511 2.726 20 0 FFADHO CC(C)(CNC(=O)NCCC[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000417089840 514163148 /nfs/dbraw/zinc/16/31/48/514163148.db2.gz RWXGIXBCSRUJEU-LJQANCHMSA-N 1 3 358.530 2.655 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417111885 514173531 /nfs/dbraw/zinc/17/35/31/514173531.db2.gz MGKILVZFYKLJCQ-NRFANRHFSA-N 1 3 366.509 2.822 20 0 FFADHO CC(C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000427298980 514177004 /nfs/dbraw/zinc/17/70/04/514177004.db2.gz IGLCRWLBLATKBD-NQIIRXRSSA-N 1 3 357.542 2.965 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)CC1 ZINC000414565135 514183961 /nfs/dbraw/zinc/18/39/61/514183961.db2.gz YIHGDUPBJJZYFW-NRFANRHFSA-N 1 3 359.514 2.604 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(C(=O)OC)C2)CC1 ZINC000414565135 514183967 /nfs/dbraw/zinc/18/39/67/514183967.db2.gz YIHGDUPBJJZYFW-NRFANRHFSA-N 1 3 359.514 2.604 20 0 FFADHO CC(=O)NCCc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432427305 514192413 /nfs/dbraw/zinc/19/24/13/514192413.db2.gz YDDCAKABCLMTKS-QZTJIDSGSA-N 1 3 361.530 2.517 20 0 FFADHO CC(=O)NCCc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432427305 514192416 /nfs/dbraw/zinc/19/24/16/514192416.db2.gz YDDCAKABCLMTKS-QZTJIDSGSA-N 1 3 361.530 2.517 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437658234 514205460 /nfs/dbraw/zinc/20/54/60/514205460.db2.gz NMAGUWMXKZROGI-PKOBYXMFSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437658234 514205468 /nfs/dbraw/zinc/20/54/68/514205468.db2.gz NMAGUWMXKZROGI-PKOBYXMFSA-N 1 3 350.551 2.815 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417177098 514212534 /nfs/dbraw/zinc/21/25/34/514212534.db2.gz CPMINVHNVKCLKJ-HXUWFJFHSA-N 1 3 360.546 2.710 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423747101 514218561 /nfs/dbraw/zinc/21/85/61/514218561.db2.gz OZRVQMKGXZYCLM-KDOFPFPSSA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423776920 514226037 /nfs/dbraw/zinc/22/60/37/514226037.db2.gz OGSALKUEZOPSLR-JMUQELJHSA-N 1 3 363.505 2.554 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417219872 514240600 /nfs/dbraw/zinc/24/06/00/514240600.db2.gz WZYHBAPXIOHZEF-YZGWKJHDSA-N 1 3 358.530 2.886 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2)CC1 ZINC000417219952 514240717 /nfs/dbraw/zinc/24/07/17/514240717.db2.gz XICWIEAYCFYQBP-IFMALSPDSA-N 1 3 370.541 2.855 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417219871 514241005 /nfs/dbraw/zinc/24/10/05/514241005.db2.gz WZYHBAPXIOHZEF-YSIASYRMSA-N 1 3 358.530 2.886 20 0 FFADHO CCCN(C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417225907 514244123 /nfs/dbraw/zinc/24/41/23/514244123.db2.gz YVGINVNKPKSPEB-HKUYNNGSSA-N 1 3 358.530 2.996 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417225909 514244356 /nfs/dbraw/zinc/24/43/56/514244356.db2.gz YVGINVNKPKSPEB-IEBWSBKVSA-N 1 3 358.530 2.996 20 0 FFADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C12CCCN1CCC2 ZINC000414699365 514248038 /nfs/dbraw/zinc/24/80/38/514248038.db2.gz TVOFYWKIEHQHFQ-UHFFFAOYSA-N 1 3 369.513 2.945 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)C1 ZINC000414737220 514264516 /nfs/dbraw/zinc/26/45/16/514264516.db2.gz AGIPLCLAUCGOQX-AVRDEDQJSA-N 1 3 355.526 2.554 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)C1 ZINC000414737220 514264523 /nfs/dbraw/zinc/26/45/23/514264523.db2.gz AGIPLCLAUCGOQX-AVRDEDQJSA-N 1 3 355.526 2.554 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000423857909 514267280 /nfs/dbraw/zinc/26/72/80/514267280.db2.gz ZHKIFVNSFXVCBX-LJQANCHMSA-N 1 3 356.514 2.545 20 0 FFADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000414743812 514268729 /nfs/dbraw/zinc/26/87/29/514268729.db2.gz PBAIKEMSRZOERY-GBESFXJTSA-N 1 3 365.562 2.634 20 0 FFADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000414743812 514268737 /nfs/dbraw/zinc/26/87/37/514268737.db2.gz PBAIKEMSRZOERY-GBESFXJTSA-N 1 3 365.562 2.634 20 0 FFADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCCCN1CC[NH2+]CC1 ZINC000414777207 514287547 /nfs/dbraw/zinc/28/75/47/514287547.db2.gz GSPIGKQDLNVNKF-UHFFFAOYSA-N 1 3 361.921 2.527 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCCN1C)Cc1ccccc1 ZINC000420777252 514291019 /nfs/dbraw/zinc/29/10/19/514291019.db2.gz GZMNNXARHYXJEI-VQTJNVASSA-N 1 3 360.546 2.675 20 0 FFADHO N[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414882072 514338923 /nfs/dbraw/zinc/33/89/23/514338923.db2.gz BLIKPLSIZNQJMB-KRWDZBQOSA-N 1 3 352.320 2.740 20 0 FFADHO [NH3+][C@@H](CNC1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414882072 514338929 /nfs/dbraw/zinc/33/89/29/514338929.db2.gz BLIKPLSIZNQJMB-KRWDZBQOSA-N 1 3 352.320 2.740 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000444858087 514351606 /nfs/dbraw/zinc/35/16/06/514351606.db2.gz WPGBYGHOZRSUNW-GOSISDBHSA-N 1 3 352.567 2.920 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000444858087 514351613 /nfs/dbraw/zinc/35/16/13/514351613.db2.gz WPGBYGHOZRSUNW-GOSISDBHSA-N 1 3 352.567 2.920 20 0 FFADHO CCOc1cc(C[NH2+][C@@H](C)CN)ccc1OCC(=O)Nc1ccccc1 ZINC000414936174 514363599 /nfs/dbraw/zinc/36/35/99/514363599.db2.gz BSAMGOVQBZUNCB-HNNXBMFYSA-N 1 3 357.454 2.540 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000420924938 514379731 /nfs/dbraw/zinc/37/97/31/514379731.db2.gz YCJQNWNRSALGQZ-YLJYHZDGSA-N 1 3 358.530 2.948 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(Cl)c(Cl)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414992337 514391001 /nfs/dbraw/zinc/39/10/01/514391001.db2.gz RNEDYDIUTMDGPK-WBVHZDCISA-N 1 3 356.297 2.730 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000424142624 514396805 /nfs/dbraw/zinc/39/68/05/514396805.db2.gz INVYHYJCZOEFDQ-UKMLZYKCSA-N 1 3 355.404 2.552 20 0 FFADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCCN1C1CCCC1 ZINC000438555477 514401758 /nfs/dbraw/zinc/40/17/58/514401758.db2.gz RHJIDWJCFGRHMT-LJQANCHMSA-N 1 3 363.546 2.545 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000415027811 514407837 /nfs/dbraw/zinc/40/78/37/514407837.db2.gz XBBZCOLXRAQKQG-JOCQHMNTSA-N 1 3 351.857 2.915 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415064153 514424712 /nfs/dbraw/zinc/42/47/12/514424712.db2.gz BUBOMBIBEOCOOU-UHFFFAOYSA-N 1 3 364.559 2.917 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(c1ccccc1)c1ccccc1 ZINC000415081476 514434324 /nfs/dbraw/zinc/43/43/24/514434324.db2.gz CDLXPZNTCZZULF-OALUTQOASA-N 1 3 365.521 2.994 20 0 FFADHO C[C@H]1NCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H]1C ZINC000417621725 514440016 /nfs/dbraw/zinc/44/00/16/514440016.db2.gz LCFRGCKVPGWNAN-MSOLQXFVSA-N 1 3 358.530 2.954 20 0 FFADHO CC(C)OCc1cccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424291256 514448542 /nfs/dbraw/zinc/44/85/42/514448542.db2.gz NIIZPWSNBHXMPE-SFHVURJKSA-N 1 3 373.541 2.692 20 0 FFADHO C[C@H](CC1CCCCC1)CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415141826 514465571 /nfs/dbraw/zinc/46/55/71/514465571.db2.gz QBSCSQDHXSGZKW-UXPWSPDFSA-N 1 3 362.562 2.813 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000439156105 514501686 /nfs/dbraw/zinc/50/16/86/514501686.db2.gz QFKBTQDTXHTZMX-UNWVZKJWSA-N 1 3 369.553 2.765 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000439156105 514501688 /nfs/dbraw/zinc/50/16/88/514501688.db2.gz QFKBTQDTXHTZMX-UNWVZKJWSA-N 1 3 369.553 2.765 20 0 FFADHO C[N@H+](CCCNC(=O)NC[C@H]1CCCCN1C1CC1)Cc1ccccc1 ZINC000433563726 514513653 /nfs/dbraw/zinc/51/36/53/514513653.db2.gz MCJFXPGMMOBATP-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCNC(=O)NC[C@H]1CCCCN1C1CC1)Cc1ccccc1 ZINC000433563726 514513658 /nfs/dbraw/zinc/51/36/58/514513658.db2.gz MCJFXPGMMOBATP-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)CO2 ZINC000453058505 514532676 /nfs/dbraw/zinc/53/26/76/514532676.db2.gz HIOGXJCADLQUSK-GOSISDBHSA-N 1 3 356.466 2.729 20 0 FFADHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453078844 514538933 /nfs/dbraw/zinc/53/89/33/514538933.db2.gz KPCPZSNJIAOQBE-YPAWHYETSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000466033876 514544393 /nfs/dbraw/zinc/54/43/93/514544393.db2.gz DDPSOIXIBOHMRR-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000466033876 514544404 /nfs/dbraw/zinc/54/44/04/514544404.db2.gz DDPSOIXIBOHMRR-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453101206 514544802 /nfs/dbraw/zinc/54/48/02/514544802.db2.gz NLPGFZYXJIFRET-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453101206 514544809 /nfs/dbraw/zinc/54/48/09/514544809.db2.gz NLPGFZYXJIFRET-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@H](NCCCN1CCC[N@H+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453101206 514544815 /nfs/dbraw/zinc/54/48/15/514544815.db2.gz NLPGFZYXJIFRET-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@H](NCCCN1CCC[N@@H+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453101206 514544823 /nfs/dbraw/zinc/54/48/23/514544823.db2.gz NLPGFZYXJIFRET-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453116760 514549216 /nfs/dbraw/zinc/54/92/16/514549216.db2.gz YPCIMARZNBKHOL-FVTFTPSCSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453116760 514549223 /nfs/dbraw/zinc/54/92/23/514549223.db2.gz YPCIMARZNBKHOL-FVTFTPSCSA-N 1 3 357.542 2.740 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)C2)CC1 ZINC000466055230 514551786 /nfs/dbraw/zinc/55/17/86/514551786.db2.gz YNRRBIVAJVYXNU-GBESFXJTSA-N 1 3 350.551 2.623 20 0 FFADHO c1cn2c(n1)[C@@H](NCCCOC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000453131952 514553384 /nfs/dbraw/zinc/55/33/84/514553384.db2.gz MEVPGCIROBMGHA-FQEVSTJZSA-N 1 3 354.498 2.989 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CN1Cc1ccccc1 ZINC000466197981 514573719 /nfs/dbraw/zinc/57/37/19/514573719.db2.gz FIBKIGWUHIDZJD-BTHPGYMESA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CN1Cc1ccccc1 ZINC000466197981 514573725 /nfs/dbraw/zinc/57/37/25/514573725.db2.gz FIBKIGWUHIDZJD-BTHPGYMESA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466214972 514579226 /nfs/dbraw/zinc/57/92/26/514579226.db2.gz DBTBBMKBNOXUQR-SFNKJDCFSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466214972 514579229 /nfs/dbraw/zinc/57/92/29/514579229.db2.gz DBTBBMKBNOXUQR-SFNKJDCFSA-N 1 3 350.551 2.526 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CCc2ccccc2C1 ZINC000466220850 514580660 /nfs/dbraw/zinc/58/06/60/514580660.db2.gz DHFCUAFBQBZYIN-OZOXKJRCSA-N 1 3 370.541 2.605 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)N1CCc2ccccc2C1 ZINC000466220850 514580663 /nfs/dbraw/zinc/58/06/63/514580663.db2.gz DHFCUAFBQBZYIN-OZOXKJRCSA-N 1 3 370.541 2.605 20 0 FFADHO CC(C)[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C(C)C ZINC000458137858 514583513 /nfs/dbraw/zinc/58/35/13/514583513.db2.gz VTFJKSIFBFBSBZ-UXHICEINSA-N 1 3 364.578 2.867 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445485 514618222 /nfs/dbraw/zinc/61/82/22/514618222.db2.gz RWPZXBRQLYEFFN-VSKRKVRLSA-N 1 3 367.537 2.841 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445485 514618227 /nfs/dbraw/zinc/61/82/27/514618227.db2.gz RWPZXBRQLYEFFN-VSKRKVRLSA-N 1 3 367.537 2.841 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)C1 ZINC000488907935 514629314 /nfs/dbraw/zinc/62/93/14/514629314.db2.gz JLHZUDTVQQUPMC-ZWJWXYIHSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)C1 ZINC000488907935 514629320 /nfs/dbraw/zinc/62/93/20/514629320.db2.gz JLHZUDTVQQUPMC-ZWJWXYIHSA-N 1 3 350.551 2.621 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)N(C)C)cc1 ZINC000508034862 514643750 /nfs/dbraw/zinc/64/37/50/514643750.db2.gz KELNXBGTMHLTOS-IBGZPJMESA-N 1 3 360.546 2.883 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000497836184 514653402 /nfs/dbraw/zinc/65/34/02/514653402.db2.gz NLRRJHVDIBRJMW-XLIONFOSSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000497836184 514653413 /nfs/dbraw/zinc/65/34/13/514653413.db2.gz NLRRJHVDIBRJMW-XLIONFOSSA-N 1 3 374.529 2.614 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000458330817 514714139 /nfs/dbraw/zinc/71/41/39/514714139.db2.gz MOZXAESEVYTQHW-QGZVFWFLSA-N 1 3 366.575 2.942 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000458330817 514714148 /nfs/dbraw/zinc/71/41/48/514714148.db2.gz MOZXAESEVYTQHW-QGZVFWFLSA-N 1 3 366.575 2.942 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000479791081 514724751 /nfs/dbraw/zinc/72/47/51/514724751.db2.gz VLPQEVJMRBNSBL-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000479791081 514724756 /nfs/dbraw/zinc/72/47/56/514724756.db2.gz VLPQEVJMRBNSBL-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CCC(=O)c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000471027362 514724996 /nfs/dbraw/zinc/72/49/96/514724996.db2.gz DMLJLIGFUMLFOA-UHFFFAOYSA-N 1 3 357.498 2.568 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000458399471 514766599 /nfs/dbraw/zinc/76/65/99/514766599.db2.gz GIKNVDUIBUHFDH-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000458399471 514766608 /nfs/dbraw/zinc/76/66/08/514766608.db2.gz GIKNVDUIBUHFDH-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000498121991 514769462 /nfs/dbraw/zinc/76/94/62/514769462.db2.gz XZTMXGAKHKQXOS-RDJZCZTQSA-N 1 3 350.507 2.882 20 0 FFADHO CC(C)[NH+](CCCNC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)C(C)C ZINC000489262990 514773490 /nfs/dbraw/zinc/77/34/90/514773490.db2.gz VSHZAHZAHIECHK-FHWLQOOXSA-N 1 3 352.567 2.867 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)[C@@H]1c1cccs1 ZINC000458419602 514781326 /nfs/dbraw/zinc/78/13/26/514781326.db2.gz HIZXKZSPVTWAAO-GOEBONIOSA-N 1 3 352.548 2.770 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccsc1 ZINC000498151323 514781883 /nfs/dbraw/zinc/78/18/83/514781883.db2.gz OPROMFOGXHPWHQ-CGTJXYLNSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccsc1 ZINC000498151323 514781891 /nfs/dbraw/zinc/78/18/91/514781891.db2.gz OPROMFOGXHPWHQ-CGTJXYLNSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000466922951 514828229 /nfs/dbraw/zinc/82/82/29/514828229.db2.gz GSSCHVGGPBFSAP-RMJJICAUSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000466922951 514828242 /nfs/dbraw/zinc/82/82/42/514828242.db2.gz GSSCHVGGPBFSAP-RMJJICAUSA-N 1 3 362.562 2.765 20 0 FFADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455923589 514836017 /nfs/dbraw/zinc/83/60/17/514836017.db2.gz MPENFSLKRBIAAM-AZUAARDMSA-N 1 3 374.529 2.810 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000503014486 514880415 /nfs/dbraw/zinc/88/04/15/514880415.db2.gz OGZRTPIBKWSSAH-LEWJYISDSA-N 1 3 351.494 2.871 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000462221770 514947302 /nfs/dbraw/zinc/94/73/02/514947302.db2.gz DFSOULSLVLYXSM-SVFBPWRDSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508902335 514948502 /nfs/dbraw/zinc/94/85/02/514948502.db2.gz CWJMWZBKGFTREL-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1=CCN(C)CC1 ZINC000471621871 514958363 /nfs/dbraw/zinc/95/83/63/514958363.db2.gz VBACJODHHJMPOZ-INIZCTEOSA-N 1 3 355.482 2.693 20 0 FFADHO C[NH+](C)CCCC(C)(C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000458623216 514964344 /nfs/dbraw/zinc/96/43/44/514964344.db2.gz ZZTRSDJIYIQFJS-UHFFFAOYSA-N 1 3 361.534 2.718 20 0 FFADHO CCN1C[C@@H](C)N(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000498565625 514972427 /nfs/dbraw/zinc/97/24/27/514972427.db2.gz CHAIIQCZGHJNOF-VQTJNVASSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458634910 514975345 /nfs/dbraw/zinc/97/53/45/514975345.db2.gz QJGXQMCPZMJNNN-OKZBNKHCSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458634910 514975350 /nfs/dbraw/zinc/97/53/50/514975350.db2.gz QJGXQMCPZMJNNN-OKZBNKHCSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000485276236 514980713 /nfs/dbraw/zinc/98/07/13/514980713.db2.gz OWAMRRAHLACVFO-ZWKOTPCHSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000485276236 514980726 /nfs/dbraw/zinc/98/07/26/514980726.db2.gz OWAMRRAHLACVFO-ZWKOTPCHSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000509038736 514999082 /nfs/dbraw/zinc/99/90/82/514999082.db2.gz IAKHRIIHSBPNBW-WMLDXEAASA-N 1 3 354.926 2.972 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000489855324 515000119 /nfs/dbraw/zinc/00/01/19/515000119.db2.gz ITWDHVBVNAIJHC-QMMLZNLJSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000489855324 515000129 /nfs/dbraw/zinc/00/01/29/515000129.db2.gz ITWDHVBVNAIJHC-QMMLZNLJSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H](CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000489980137 515056041 /nfs/dbraw/zinc/05/60/41/515056041.db2.gz IADUILPEHGYHAD-CADBVGFASA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000503520684 515065253 /nfs/dbraw/zinc/06/52/53/515065253.db2.gz IGLPMKZHMKXTHA-LAUBAEHRSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000458770776 515078450 /nfs/dbraw/zinc/07/84/50/515078450.db2.gz HRNALWCBISCEIN-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000458770776 515078461 /nfs/dbraw/zinc/07/84/61/515078461.db2.gz HRNALWCBISCEIN-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccco1 ZINC000458773774 515080819 /nfs/dbraw/zinc/08/08/19/515080819.db2.gz PVAYETGOPOFCBE-QKLQHJQFSA-N 1 3 362.518 2.836 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccco1 ZINC000458773774 515080828 /nfs/dbraw/zinc/08/08/28/515080828.db2.gz PVAYETGOPOFCBE-QKLQHJQFSA-N 1 3 362.518 2.836 20 0 FFADHO C[C@@H](C(=O)NC1(C[NH+](C)C)CCC1)N1CCC(Cc2ccccc2)CC1 ZINC000467728497 515097066 /nfs/dbraw/zinc/09/70/66/515097066.db2.gz RYENYCBPUZUFHT-SFHVURJKSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000503735769 515131355 /nfs/dbraw/zinc/13/13/55/515131355.db2.gz ABPQVGGUEUFLRN-UHFFFAOYSA-N 1 3 374.573 2.924 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@@H](C)C1 ZINC000458839448 515132857 /nfs/dbraw/zinc/13/28/57/515132857.db2.gz CZXKYUVTZMOMKO-FHWLQOOXSA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000472172779 515157998 /nfs/dbraw/zinc/15/79/98/515157998.db2.gz NNRAKIYNUFPHTQ-NRFANRHFSA-N 1 3 373.541 2.855 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[N@H+](C)CC[C@H]2C)N(C)C)cc1 ZINC000458905245 515186984 /nfs/dbraw/zinc/18/69/84/515186984.db2.gz VJABGGYVLJFUPT-QAPCUYQASA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)N(C)C)cc1 ZINC000458905245 515186990 /nfs/dbraw/zinc/18/69/90/515186990.db2.gz VJABGGYVLJFUPT-QAPCUYQASA-N 1 3 364.559 2.747 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000458936812 515213372 /nfs/dbraw/zinc/21/33/72/515213372.db2.gz NOPKUEFQUCEDBZ-FHWLQOOXSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000458936812 515213384 /nfs/dbraw/zinc/21/33/84/515213384.db2.gz NOPKUEFQUCEDBZ-FHWLQOOXSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000504181906 515239903 /nfs/dbraw/zinc/23/99/03/515239903.db2.gz NQFBIXHFTSRUIV-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccco1 ZINC000499332618 515287423 /nfs/dbraw/zinc/28/74/23/515287423.db2.gz YZVIVBLLJZXQNI-XHSDSOJGSA-N 1 3 352.523 2.984 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000454203238 515306020 /nfs/dbraw/zinc/30/60/20/515306020.db2.gz CTVBDYDCDXDOEH-SFHVURJKSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCN(C)C1CC1 ZINC000490878709 515323122 /nfs/dbraw/zinc/32/31/22/515323122.db2.gz MSEQVVGWDNYSDS-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCN(C)C1CC1 ZINC000490878709 515323131 /nfs/dbraw/zinc/32/31/31/515323131.db2.gz MSEQVVGWDNYSDS-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459152567 515358449 /nfs/dbraw/zinc/35/84/49/515358449.db2.gz JBJNFLQVZOBAFA-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459152567 515358456 /nfs/dbraw/zinc/35/84/56/515358456.db2.gz JBJNFLQVZOBAFA-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCn2ccnc2C)CC1 ZINC000510009348 515400936 /nfs/dbraw/zinc/40/09/36/515400936.db2.gz HPMWAOQJFHUFPL-UHFFFAOYSA-N 1 3 355.530 2.903 20 0 FFADHO CC[C@@]1(C(C)C)C[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454440454 515490146 /nfs/dbraw/zinc/49/01/46/515490146.db2.gz AYZJGOMHSITHRJ-QUCCMNQESA-N 1 3 350.551 2.669 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C3CCC3)CC2)CC1 ZINC000454466771 515511790 /nfs/dbraw/zinc/51/17/90/515511790.db2.gz YLJMYQGIYSXALA-UHFFFAOYSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cnc2ccccc12 ZINC000482065175 515563503 /nfs/dbraw/zinc/56/35/03/515563503.db2.gz DHEJCMXABLQMHX-UHFFFAOYSA-N 1 3 366.509 2.832 20 0 FFADHO COc1cccc([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000482112637 515579217 /nfs/dbraw/zinc/57/92/17/515579217.db2.gz HRPUXLFKZZJSKT-SFHVURJKSA-N 1 3 354.498 2.953 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000454648513 515638224 /nfs/dbraw/zinc/63/82/24/515638224.db2.gz RSLDRTKTLMIUIO-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000454648513 515638236 /nfs/dbraw/zinc/63/82/36/515638236.db2.gz RSLDRTKTLMIUIO-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000505825238 515685854 /nfs/dbraw/zinc/68/58/54/515685854.db2.gz OIMYBXSDJSYBMF-XLIONFOSSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000505825238 515685860 /nfs/dbraw/zinc/68/58/60/515685860.db2.gz OIMYBXSDJSYBMF-XLIONFOSSA-N 1 3 363.521 2.879 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000482636058 515746466 /nfs/dbraw/zinc/74/64/66/515746466.db2.gz LOFCEZVALHKBQJ-AZUAARDMSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000459796397 515809517 /nfs/dbraw/zinc/80/95/17/515809517.db2.gz YOWPFPHGUQWMSY-LMQGHGSNSA-N 1 3 355.526 2.934 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000478423594 515818447 /nfs/dbraw/zinc/81/84/47/515818447.db2.gz ZKHXJVSSRPQXBH-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CCCc1csc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000494386334 515827970 /nfs/dbraw/zinc/82/79/70/515827970.db2.gz PAWLOPSJFXAALT-UHFFFAOYSA-N 1 3 359.543 2.793 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511215735 515830035 /nfs/dbraw/zinc/83/00/35/515830035.db2.gz JEARJEOBZGIUFW-CMKODMSKSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511215735 515830043 /nfs/dbraw/zinc/83/00/43/515830043.db2.gz JEARJEOBZGIUFW-CMKODMSKSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](NC1(CNC(=O)CC[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000494656519 515911903 /nfs/dbraw/zinc/91/19/03/515911903.db2.gz VPJRQWMBDZMPGP-MJGOQNOKSA-N 1 3 359.514 2.535 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000483081806 515917025 /nfs/dbraw/zinc/91/70/25/515917025.db2.gz YSEAECPCJGQODY-GOSISDBHSA-N 1 3 372.557 2.649 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000487810684 515985582 /nfs/dbraw/zinc/98/55/82/515985582.db2.gz HOVQVKQOJBEAAI-KRWDZBQOSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N1CCc2ccccc2C1 ZINC000487829824 515996044 /nfs/dbraw/zinc/99/60/44/515996044.db2.gz BIXMINCDVUWSNF-IFMALSPDSA-N 1 3 370.541 2.561 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N1CCc2ccccc2C1 ZINC000487829824 515996052 /nfs/dbraw/zinc/99/60/52/515996052.db2.gz BIXMINCDVUWSNF-IFMALSPDSA-N 1 3 370.541 2.561 20 0 FFADHO CCCOc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469859834 516001073 /nfs/dbraw/zinc/00/10/73/516001073.db2.gz CCPAQOKMFQEDOO-QUCCMNQESA-N 1 3 359.514 2.556 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@H]1CN1CCCCC1)C[NH+]1CCCC1 ZINC000479063513 516041926 /nfs/dbraw/zinc/04/19/26/516041926.db2.gz FXOVQVXHBPHLKK-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@@H]1C ZINC000474465912 516056839 /nfs/dbraw/zinc/05/68/39/516056839.db2.gz ARGAVXFAAZETHE-JRGCBEDISA-N 1 3 373.541 2.501 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000457674428 516058675 /nfs/dbraw/zinc/05/86/75/516058675.db2.gz RISVRJWKSCOJDZ-FQEVSTJZSA-N 1 3 358.530 2.907 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000474533115 516085861 /nfs/dbraw/zinc/08/58/61/516085861.db2.gz HIRKHDSOTMXNLP-NTFDOXNWSA-N 1 3 356.514 2.748 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)Cc1ccccc1 ZINC000479186662 516094984 /nfs/dbraw/zinc/09/49/84/516094984.db2.gz IWDLZVVJFBTXLR-SFTDATJTSA-N 1 3 371.500 2.937 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000457727453 516099665 /nfs/dbraw/zinc/09/96/65/516099665.db2.gz BLQGLWGYTBEEOR-PMACEKPBSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000457727453 516099669 /nfs/dbraw/zinc/09/96/69/516099669.db2.gz BLQGLWGYTBEEOR-PMACEKPBSA-N 1 3 358.530 2.948 20 0 FFADHO COC(=O)[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000470156320 516148990 /nfs/dbraw/zinc/14/89/90/516148990.db2.gz MPKYPZQKXXMWIS-VQIMIIECSA-N 1 3 359.514 2.600 20 0 FFADHO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)[C@@H]1C ZINC000470156320 516149006 /nfs/dbraw/zinc/14/90/06/516149006.db2.gz MPKYPZQKXXMWIS-VQIMIIECSA-N 1 3 359.514 2.600 20 0 FFADHO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)[C@@H]1C ZINC000470156320 516149011 /nfs/dbraw/zinc/14/90/11/516149011.db2.gz MPKYPZQKXXMWIS-VQIMIIECSA-N 1 3 359.514 2.600 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1C ZINC000465438774 516154393 /nfs/dbraw/zinc/15/43/93/516154393.db2.gz KPFDWVJYXSPFHW-ZWKOTPCHSA-N 1 3 350.551 2.957 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cc1C ZINC000465636201 516216139 /nfs/dbraw/zinc/21/61/39/516216139.db2.gz LCBUOOCKEXOYRM-HXUWFJFHSA-N 1 3 360.546 2.861 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cc1C ZINC000465636201 516216147 /nfs/dbraw/zinc/21/61/47/516216147.db2.gz LCBUOOCKEXOYRM-HXUWFJFHSA-N 1 3 360.546 2.861 20 0 FFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000474869989 516220453 /nfs/dbraw/zinc/22/04/53/516220453.db2.gz AHPHQKRWPWQACB-RTWAWAEBSA-N 1 3 373.541 2.807 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000457936208 516240779 /nfs/dbraw/zinc/24/07/79/516240779.db2.gz SHZQJXSIOQPSDI-SXLOBPIMSA-N 1 3 358.530 2.946 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000457936208 516240784 /nfs/dbraw/zinc/24/07/84/516240784.db2.gz SHZQJXSIOQPSDI-SXLOBPIMSA-N 1 3 358.530 2.946 20 0 FFADHO CCC[NH+](CCC)CCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488597428 516270869 /nfs/dbraw/zinc/27/08/69/516270869.db2.gz OWDHZFKOJAJZFN-GUDVDZBRSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000512427395 516274648 /nfs/dbraw/zinc/27/46/48/516274648.db2.gz SSGBWWYVVGONGJ-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000512427395 516274654 /nfs/dbraw/zinc/27/46/54/516274654.db2.gz SSGBWWYVVGONGJ-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO CCCc1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN2CC)s1 ZINC000460910611 516281673 /nfs/dbraw/zinc/28/16/73/516281673.db2.gz JCUXAHYLEZKMOG-OAHLLOKOSA-N 1 3 352.548 2.584 20 0 FFADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000460930629 516285193 /nfs/dbraw/zinc/28/51/93/516285193.db2.gz ACFQQZZTGXNXIK-CQSZACIVSA-N 1 3 365.468 2.743 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512611037 516312799 /nfs/dbraw/zinc/31/27/99/516312799.db2.gz HFCSORQISUQRMX-BHIFYINESA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512611037 516312804 /nfs/dbraw/zinc/31/28/04/516312804.db2.gz HFCSORQISUQRMX-BHIFYINESA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512611037 516312808 /nfs/dbraw/zinc/31/28/08/516312808.db2.gz HFCSORQISUQRMX-BHIFYINESA-N 1 3 371.569 2.988 20 0 FFADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)N1CCOCC1 ZINC000512650286 516318354 /nfs/dbraw/zinc/31/83/54/516318354.db2.gz YPOBBTKKZRMJOK-YPAWHYETSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512666818 516320050 /nfs/dbraw/zinc/32/00/50/516320050.db2.gz MPHHCDUFGZTXHA-BHIFYINESA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512666818 516320051 /nfs/dbraw/zinc/32/00/51/516320051.db2.gz MPHHCDUFGZTXHA-BHIFYINESA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512666818 516320053 /nfs/dbraw/zinc/32/00/53/516320053.db2.gz MPHHCDUFGZTXHA-BHIFYINESA-N 1 3 371.569 2.988 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000512673399 516320476 /nfs/dbraw/zinc/32/04/76/516320476.db2.gz QKQUBBQORMNNHM-DXBBTUNJSA-N 1 3 358.526 2.664 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000512673399 516320478 /nfs/dbraw/zinc/32/04/78/516320478.db2.gz QKQUBBQORMNNHM-DXBBTUNJSA-N 1 3 358.526 2.664 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000512673399 516320479 /nfs/dbraw/zinc/32/04/79/516320479.db2.gz QKQUBBQORMNNHM-DXBBTUNJSA-N 1 3 358.526 2.664 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)C1 ZINC000497623947 516328286 /nfs/dbraw/zinc/32/82/86/516328286.db2.gz PRVXKTISSBLNDN-KZNAEPCWSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)C1 ZINC000497623947 516328287 /nfs/dbraw/zinc/32/82/87/516328287.db2.gz PRVXKTISSBLNDN-KZNAEPCWSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)CC1 ZINC000543624446 516334611 /nfs/dbraw/zinc/33/46/11/516334611.db2.gz YVQVNRWNGPGAOX-OAHLLOKOSA-N 1 3 351.922 2.837 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522867442 516335700 /nfs/dbraw/zinc/33/57/00/516335700.db2.gz YBISUOFBQZPRMQ-VQTJNVASSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522867442 516335707 /nfs/dbraw/zinc/33/57/07/516335707.db2.gz YBISUOFBQZPRMQ-VQTJNVASSA-N 1 3 358.530 2.530 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522878245 516339531 /nfs/dbraw/zinc/33/95/31/516339531.db2.gz CCCIOTLQRUGYGG-OAQYLSRUSA-N 1 3 372.557 2.874 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCc1cccs1 ZINC000539910864 516348384 /nfs/dbraw/zinc/34/83/84/516348384.db2.gz XVUYPMUUXRIIGO-KRWDZBQOSA-N 1 3 366.575 2.738 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCc1cccs1 ZINC000539910864 516348391 /nfs/dbraw/zinc/34/83/91/516348391.db2.gz XVUYPMUUXRIIGO-KRWDZBQOSA-N 1 3 366.575 2.738 20 0 FFADHO C[C@H](CO)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000554264519 516350561 /nfs/dbraw/zinc/35/05/61/516350561.db2.gz RODHTYQKLVTULM-GOSISDBHSA-N 1 3 373.541 2.524 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557643106 516355781 /nfs/dbraw/zinc/35/57/81/516355781.db2.gz DUICOSIILWMMMU-IRLDBZIGSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557643106 516355792 /nfs/dbraw/zinc/35/57/92/516355792.db2.gz DUICOSIILWMMMU-IRLDBZIGSA-N 1 3 355.526 2.985 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(-n2ccnc2)cc1 ZINC000517627020 516387080 /nfs/dbraw/zinc/38/70/80/516387080.db2.gz RCCMSJJEPDDGAT-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(-n2ccnc2)cc1 ZINC000517627020 516387084 /nfs/dbraw/zinc/38/70/84/516387084.db2.gz RCCMSJJEPDDGAT-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000561151128 516409798 /nfs/dbraw/zinc/40/97/98/516409798.db2.gz ARNSVSVNIBYOAU-YESZJQIVSA-N 1 3 364.559 2.729 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000561174082 516427465 /nfs/dbraw/zinc/42/74/65/516427465.db2.gz HRJJTVSPHHXZOB-QUCCMNQESA-N 1 3 358.530 2.840 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000561194367 516442758 /nfs/dbraw/zinc/44/27/58/516442758.db2.gz DJGQNMZDYHOHCQ-YFVAEKQCSA-N 1 3 358.530 2.586 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000550885002 516467867 /nfs/dbraw/zinc/46/78/67/516467867.db2.gz AXIHOOCLCMOZQX-HIFRSBDPSA-N 1 3 372.351 2.955 20 0 FFADHO COc1cc(C[C@H](CO)C[NH2+]C2CCN(C(C)(C)C)CC2)cc(OC)c1 ZINC000513330743 516572080 /nfs/dbraw/zinc/57/20/80/516572080.db2.gz NBUCGYFBVSVROT-KRWDZBQOSA-N 1 3 364.530 2.707 20 0 FFADHO COc1cc(C[C@H](CO)CNC2CC[NH+](C(C)(C)C)CC2)cc(OC)c1 ZINC000513330743 516572090 /nfs/dbraw/zinc/57/20/90/516572090.db2.gz NBUCGYFBVSVROT-KRWDZBQOSA-N 1 3 364.530 2.707 20 0 FFADHO CC[C@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCOCC1 ZINC000531720399 516610857 /nfs/dbraw/zinc/61/08/57/516610857.db2.gz FRMDRNVBOYVLLO-RTWAWAEBSA-N 1 3 373.541 2.679 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000528715838 516639381 /nfs/dbraw/zinc/63/93/81/516639381.db2.gz PFCNYNKNFHCKRH-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO CC(C)[C@H](CNC(=O)N1CCCN(C(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000524112225 516646025 /nfs/dbraw/zinc/64/60/25/516646025.db2.gz UDRWKSPBDGOTLP-IBGZPJMESA-N 1 3 352.567 2.869 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(C)(C)C ZINC000558290151 516681252 /nfs/dbraw/zinc/68/12/52/516681252.db2.gz VUITYMJWOJCQDE-KRWDZBQOSA-N 1 3 353.551 2.504 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCc2c1cccc2F ZINC000540789460 516712262 /nfs/dbraw/zinc/71/22/62/516712262.db2.gz RHUMKBNVFBZWJA-SFTDATJTSA-N 1 3 369.484 2.692 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@@H](C)C1 ZINC000551565309 516764005 /nfs/dbraw/zinc/76/40/05/516764005.db2.gz STGJMMDQWZWGKK-GOEBONIOSA-N 1 3 357.445 2.910 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3ccccn3)CC2)CC1 ZINC000518997171 516849332 /nfs/dbraw/zinc/84/93/32/516849332.db2.gz OUZWGHUDTNTELS-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO Cc1ccc2c(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)ccc([O-])c2n1 ZINC000514076429 516850819 /nfs/dbraw/zinc/85/08/19/516850819.db2.gz YEQPWXBVAUPXKA-MRXNPFEDSA-N 1 3 357.498 2.773 20 0 FFADHO Cc1ccc2c(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)ccc([O-])c2n1 ZINC000514076429 516850825 /nfs/dbraw/zinc/85/08/25/516850825.db2.gz YEQPWXBVAUPXKA-MRXNPFEDSA-N 1 3 357.498 2.773 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@@H]1C ZINC000524880385 516856030 /nfs/dbraw/zinc/85/60/30/516856030.db2.gz VGLROFGDSWAWGB-IHPCNDPISA-N 1 3 358.530 2.625 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@@H]1C ZINC000524880385 516856036 /nfs/dbraw/zinc/85/60/36/516856036.db2.gz VGLROFGDSWAWGB-IHPCNDPISA-N 1 3 358.530 2.625 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000514126437 516874984 /nfs/dbraw/zinc/87/49/84/516874984.db2.gz IAPCJYSSJJMSPG-IBGZPJMESA-N 1 3 352.567 2.918 20 0 FFADHO Cc1ccccc1C[C@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000514186131 516894130 /nfs/dbraw/zinc/89/41/30/516894130.db2.gz NEGAYYJBIQGYHB-OAQYLSRUSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000514240365 516920522 /nfs/dbraw/zinc/92/05/22/516920522.db2.gz AXSLZSOWBIKEAW-FGTMMUONSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000514240365 516920532 /nfs/dbraw/zinc/92/05/32/516920532.db2.gz AXSLZSOWBIKEAW-FGTMMUONSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](CC[NH+](C)C)N[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000541220964 516936644 /nfs/dbraw/zinc/93/66/44/516936644.db2.gz HDHSFRKWEMRNRF-HUUCEWRRSA-N 1 3 360.502 2.682 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2OCC(F)(F)F)CC1 ZINC000532373979 516940307 /nfs/dbraw/zinc/94/03/07/516940307.db2.gz JUFSFGBADVRJQR-UHFFFAOYSA-N 1 3 360.420 2.953 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000558887717 516988102 /nfs/dbraw/zinc/98/81/02/516988102.db2.gz DEZAWWLAHCVVCO-KBRIMQKVSA-N 1 3 352.910 2.725 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000558887717 516988113 /nfs/dbraw/zinc/98/81/13/516988113.db2.gz DEZAWWLAHCVVCO-KBRIMQKVSA-N 1 3 352.910 2.725 20 0 FFADHO CCCN(C)CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000525390922 517027447 /nfs/dbraw/zinc/02/74/47/517027447.db2.gz MPCWRGDOTGQXJD-UHFFFAOYSA-N 1 3 367.921 2.641 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000559013105 517041180 /nfs/dbraw/zinc/04/11/80/517041180.db2.gz FPCZTMZDMAWZHM-OAQYLSRUSA-N 1 3 373.541 2.687 20 0 FFADHO CC1=CC[N@H+](CCNC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000545152763 517072583 /nfs/dbraw/zinc/07/25/83/517072583.db2.gz RZEODEWZPKZHFP-SFHVURJKSA-N 1 3 364.921 2.894 20 0 FFADHO CC1=CC[N@@H+](CCNC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000545152763 517072594 /nfs/dbraw/zinc/07/25/94/517072594.db2.gz RZEODEWZPKZHFP-SFHVURJKSA-N 1 3 364.921 2.894 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529359425 517100185 /nfs/dbraw/zinc/10/01/85/517100185.db2.gz KWEONWYYVJWSLP-HKUYNNGSSA-N 1 3 356.514 2.577 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2C1 ZINC000519698471 517132795 /nfs/dbraw/zinc/13/27/95/517132795.db2.gz CQFYKISINJHKBT-PKOBYXMFSA-N 1 3 364.493 2.748 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[NH2+]C1CC1 ZINC000519706837 517139648 /nfs/dbraw/zinc/13/96/48/517139648.db2.gz MRUTYJDUCHEOLV-UHFFFAOYSA-N 1 3 357.420 2.738 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000514969689 517147580 /nfs/dbraw/zinc/14/75/80/517147580.db2.gz LNPRBHYDEFTTHB-HXUWFJFHSA-N 1 3 357.502 2.508 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)C2)cc(OC)c1 ZINC000552248407 517161592 /nfs/dbraw/zinc/16/15/92/517161592.db2.gz GFNCWXYRRUEDSM-UPZYVNNASA-N 1 3 373.541 2.741 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)C2)cc(OC)c1 ZINC000552248407 517161601 /nfs/dbraw/zinc/16/16/01/517161601.db2.gz GFNCWXYRRUEDSM-UPZYVNNASA-N 1 3 373.541 2.741 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)NC[C@H]2CCN2C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000529714121 517302762 /nfs/dbraw/zinc/30/27/62/517302762.db2.gz DEKRIDLAOPABJY-NJYVYQBISA-N 1 3 355.526 2.855 20 0 FFADHO C[N@H+]1C[C@H](C(=O)NC[C@H]2CCN2C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000529714121 517302772 /nfs/dbraw/zinc/30/27/72/517302772.db2.gz DEKRIDLAOPABJY-NJYVYQBISA-N 1 3 355.526 2.855 20 0 FFADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000526041505 517309720 /nfs/dbraw/zinc/30/97/20/517309720.db2.gz XOYLBGUJTQQINT-HXUWFJFHSA-N 1 3 354.498 2.544 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(OC(C)(C)CC)C3)CC2)CC1 ZINC000529807012 517357508 /nfs/dbraw/zinc/35/75/08/517357508.db2.gz BIRRCSREWWCLHM-UHFFFAOYSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OC1CCN(CCOCC[NH+]2CCC(OC(C)C)CC2)CC1 ZINC000533338470 517412537 /nfs/dbraw/zinc/41/25/37/517412537.db2.gz QBCLCSGORLGSNY-UHFFFAOYSA-N 1 3 356.551 2.782 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000545901083 517424547 /nfs/dbraw/zinc/42/45/47/517424547.db2.gz SDGSLCVRMVFJRX-MISYRCLQSA-N 1 3 358.530 2.536 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000545901083 517424553 /nfs/dbraw/zinc/42/45/53/517424553.db2.gz SDGSLCVRMVFJRX-MISYRCLQSA-N 1 3 358.530 2.536 20 0 FFADHO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)n(C2CCN(C)CC2)n1 ZINC000515625125 517426415 /nfs/dbraw/zinc/42/64/15/517426415.db2.gz OAUIAQYSXNQDKB-SJLPKXTDSA-N 1 3 374.533 2.549 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@@H](C)C1 ZINC000537992237 517426505 /nfs/dbraw/zinc/42/65/05/517426505.db2.gz WESVSUADYAOJAR-LAUBAEHRSA-N 1 3 373.541 2.805 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)N(C)C)cc1 ZINC000520581178 517443403 /nfs/dbraw/zinc/44/34/03/517443403.db2.gz JVLZGWBZWDUFHJ-UXHICEINSA-N 1 3 358.530 2.868 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CCOC1 ZINC000559891088 517474492 /nfs/dbraw/zinc/47/44/92/517474492.db2.gz NGPMXPSMJKKDTP-CEWLAPEOSA-N 1 3 358.526 2.930 20 0 FFADHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(N2CCCC2)c1 ZINC000553075332 517511028 /nfs/dbraw/zinc/51/10/28/517511028.db2.gz HEQFXIVNJVWEQA-KRWDZBQOSA-N 1 3 370.541 2.680 20 0 FFADHO Cc1ccc(NC(=O)CC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000559973622 517513937 /nfs/dbraw/zinc/51/39/37/517513937.db2.gz KIWANACHYATIOP-HDICACEKSA-N 1 3 374.529 2.540 20 0 FFADHO CN(C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000562976760 517548830 /nfs/dbraw/zinc/54/88/30/517548830.db2.gz XZGZNQHRRVVJOH-GGAORHGYSA-N 1 3 363.505 2.651 20 0 FFADHO CN(C(=O)[C@]1(c2ccccc2)CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000562976762 517549220 /nfs/dbraw/zinc/54/92/20/517549220.db2.gz XZGZNQHRRVVJOH-JTHBVZDNSA-N 1 3 363.505 2.651 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)Cc1ccccc1 ZINC000546118718 517553402 /nfs/dbraw/zinc/55/34/02/517553402.db2.gz XTSSFAHUNFXXBV-LJQANCHMSA-N 1 3 360.546 2.581 20 0 FFADHO CCCCOCCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553226991 517587763 /nfs/dbraw/zinc/58/77/63/517587763.db2.gz NJRFSFHEHVVCGL-UHFFFAOYSA-N 1 3 353.551 2.506 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@@H+]1CCCC[C@H]1C ZINC000516158603 517591583 /nfs/dbraw/zinc/59/15/83/517591583.db2.gz IAYMAEQXOPXCJL-HBFSDRIKSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@H+]1CCCC[C@H]1C ZINC000516158603 517591592 /nfs/dbraw/zinc/59/15/92/517591592.db2.gz IAYMAEQXOPXCJL-HBFSDRIKSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000521109435 517616389 /nfs/dbraw/zinc/61/63/89/517616389.db2.gz SMVZTXIYBDDULQ-NQIIRXRSSA-N 1 3 357.542 2.882 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530222104 517638603 /nfs/dbraw/zinc/63/86/03/517638603.db2.gz QGPMNTWTANXFAC-GPMSIDNRSA-N 1 3 367.493 2.858 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247915 517654259 /nfs/dbraw/zinc/65/42/59/517654259.db2.gz DAOSTBMAGFZLRZ-IBGZPJMESA-N 1 3 355.482 2.834 20 0 FFADHO COc1cc2c(cc1CN1CCC(CO[C@H]3CC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000530249616 517656569 /nfs/dbraw/zinc/65/65/69/517656569.db2.gz WQWKKFYRCQALSR-BEFAXECRSA-N 1 3 360.498 2.609 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000563152702 517695782 /nfs/dbraw/zinc/69/57/82/517695782.db2.gz WPFCMESKFJBUKV-NWANDNLSSA-N 1 3 351.878 2.736 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563153583 517697214 /nfs/dbraw/zinc/69/72/14/517697214.db2.gz BWHSJGKXQXYJDN-PVAVHDDUSA-N 1 3 365.468 2.806 20 0 FFADHO CC(C)OCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563155031 517697914 /nfs/dbraw/zinc/69/79/14/517697914.db2.gz YFVKECNBGLJEHZ-VQTJNVASSA-N 1 3 373.541 2.549 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000563155339 517698242 /nfs/dbraw/zinc/69/82/42/517698242.db2.gz TUHJAQCGZXCWGZ-GOTSBHOMSA-N 1 3 368.521 2.641 20 0 FFADHO C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000521371030 517707823 /nfs/dbraw/zinc/70/78/23/517707823.db2.gz ZIYXFSAMJWBHRK-UWJYYQICSA-N 1 3 357.542 2.786 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1-c1ccnn1C ZINC000556866857 517717929 /nfs/dbraw/zinc/71/79/29/517717929.db2.gz ONQSQPNZBVSDMI-HXUWFJFHSA-N 1 3 369.557 2.935 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1-c1ccnn1C ZINC000556866857 517717939 /nfs/dbraw/zinc/71/79/39/517717939.db2.gz ONQSQPNZBVSDMI-HXUWFJFHSA-N 1 3 369.557 2.935 20 0 FFADHO CN(CCC(=O)NC[C@H](c1cccs1)N1CCCC1)c1cc[nH+]cc1 ZINC000542787339 517740938 /nfs/dbraw/zinc/74/09/38/517740938.db2.gz NFZHKUWDWJXJST-QGZVFWFLSA-N 1 3 358.511 2.923 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)s2)cn1 ZINC000556958557 517776349 /nfs/dbraw/zinc/77/63/49/517776349.db2.gz UTEVWQJYDRQVKQ-MJGOQNOKSA-N 1 3 360.527 2.867 20 0 FFADHO Cn1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(-c2cccs2)n1 ZINC000556964135 517778311 /nfs/dbraw/zinc/77/83/11/517778311.db2.gz FOZCLYDELVSERT-VQIMIIECSA-N 1 3 360.527 2.867 20 0 FFADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000549943047 517798015 /nfs/dbraw/zinc/79/80/15/517798015.db2.gz MRDWXWUKBLVHCS-VSKRKVRLSA-N 1 3 368.525 2.898 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000516684747 517808108 /nfs/dbraw/zinc/80/81/08/517808108.db2.gz SWZOTOLBFUFHLR-ZWKOTPCHSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000516684747 517808113 /nfs/dbraw/zinc/80/81/13/517808113.db2.gz SWZOTOLBFUFHLR-ZWKOTPCHSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N3CCCCC3)CC2)C[C@@H](C)O1 ZINC000542916175 517814538 /nfs/dbraw/zinc/81/45/38/517814538.db2.gz XLIUUWYLGHXWTN-RTBURBONSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000521697280 517833139 /nfs/dbraw/zinc/83/31/39/517833139.db2.gz FMSJOPNEWZSVFQ-RDGPPVDQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000521697280 517833150 /nfs/dbraw/zinc/83/31/50/517833150.db2.gz FMSJOPNEWZSVFQ-RDGPPVDQSA-N 1 3 350.551 2.623 20 0 FFADHO Cn1cc(-c2nc(CNCC3CCN(c4cc[nH+]cc4)CC3)cs2)cn1 ZINC000527683235 517844092 /nfs/dbraw/zinc/84/40/92/517844092.db2.gz ISJAINDTBCUFQK-UHFFFAOYSA-N 1 3 368.510 2.945 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000534444415 517897265 /nfs/dbraw/zinc/89/72/65/517897265.db2.gz VPXSWXYPXMJHLQ-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000539062795 517899362 /nfs/dbraw/zinc/89/93/62/517899362.db2.gz DUJHXVTWOISRJJ-ORYQWCPZSA-N 1 3 354.498 2.901 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000553795635 517911624 /nfs/dbraw/zinc/91/16/24/517911624.db2.gz DCINPLWDJBWHAK-GHTZIAJQSA-N 1 3 359.489 2.592 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000553795635 517911632 /nfs/dbraw/zinc/91/16/32/517911632.db2.gz DCINPLWDJBWHAK-GHTZIAJQSA-N 1 3 359.489 2.592 20 0 FFADHO Cc1nc2ccc(Br)cc2c(N2CCO[C@@H](C[NH3+])C2)c1C ZINC000516917698 517914869 /nfs/dbraw/zinc/91/48/69/517914869.db2.gz YXRZBQNWPGQZPX-ZDUSSCGKSA-N 1 3 350.260 2.778 20 0 FFADHO CCOC(=O)CC(C)(C)CCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000553871614 517944002 /nfs/dbraw/zinc/94/40/02/517944002.db2.gz BRPCNDNJJIFHMI-RTBURBONSA-N 1 3 367.578 2.846 20 0 FFADHO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C1 ZINC000563519575 517955940 /nfs/dbraw/zinc/95/59/40/517955940.db2.gz KRWXEWIXVGFKQX-CQSZACIVSA-N 1 3 366.893 2.639 20 0 FFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527859608 517957431 /nfs/dbraw/zinc/95/74/31/517957431.db2.gz QLKSBDHUXFVZBN-GUYCJALGSA-N 1 3 353.869 2.643 20 0 FFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527859606 517957962 /nfs/dbraw/zinc/95/79/62/517957962.db2.gz QLKSBDHUXFVZBN-DYVFJYSZSA-N 1 3 353.869 2.643 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527893616 517977676 /nfs/dbraw/zinc/97/76/76/517977676.db2.gz NUIKFBCSUSIQOU-TZIWHRDSSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527893616 517977680 /nfs/dbraw/zinc/97/76/80/517977680.db2.gz NUIKFBCSUSIQOU-TZIWHRDSSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000517104980 518027455 /nfs/dbraw/zinc/02/74/55/518027455.db2.gz YZTITXSVNCLMTR-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522199078 518027267 /nfs/dbraw/zinc/02/72/67/518027267.db2.gz SPDSSNWYXLHPFF-FPOVZHCZSA-N 1 3 372.557 2.922 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522199078 518027278 /nfs/dbraw/zinc/02/72/78/518027278.db2.gz SPDSSNWYXLHPFF-FPOVZHCZSA-N 1 3 372.557 2.922 20 0 FFADHO CCc1cccc(OCC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000522286265 518063613 /nfs/dbraw/zinc/06/36/13/518063613.db2.gz TYEWCEXZOUUPLL-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CCc1cccc(OCC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000522286265 518063620 /nfs/dbraw/zinc/06/36/20/518063620.db2.gz TYEWCEXZOUUPLL-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000522289553 518066790 /nfs/dbraw/zinc/06/67/90/518066790.db2.gz NQYWTHVZPQGRLW-FXAWDEMLSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000522289553 518066800 /nfs/dbraw/zinc/06/68/00/518066800.db2.gz NQYWTHVZPQGRLW-FXAWDEMLSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000522293959 518069310 /nfs/dbraw/zinc/06/93/10/518069310.db2.gz QDHOODCICAKRGJ-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@]1(CNC(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]C1 ZINC000563692419 518072344 /nfs/dbraw/zinc/07/23/44/518072344.db2.gz NRELZSHBEPSTFN-OAQYLSRUSA-N 1 3 358.530 2.861 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000517225701 518075223 /nfs/dbraw/zinc/07/52/23/518075223.db2.gz CKUYGANQSBAISG-MOPGFXCFSA-N 1 3 373.545 2.847 20 0 FFADHO C[C@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000554142566 518080821 /nfs/dbraw/zinc/08/08/21/518080821.db2.gz TVBRYZDPFKCKTB-XXBNENTESA-N 1 3 369.553 2.884 20 0 FFADHO C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000554142566 518080829 /nfs/dbraw/zinc/08/08/29/518080829.db2.gz TVBRYZDPFKCKTB-XXBNENTESA-N 1 3 369.553 2.884 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000543437444 518091054 /nfs/dbraw/zinc/09/10/54/518091054.db2.gz JBKWYELZNLMOMS-OKZBNKHCSA-N 1 3 367.578 2.891 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cc(OC)ccc43)CC2)CC1 ZINC000557585504 518091866 /nfs/dbraw/zinc/09/18/66/518091866.db2.gz SSJBWMBWEJRIAE-UHFFFAOYSA-N 1 3 371.525 2.781 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCOc2ccccc21 ZINC000522761229 518160284 /nfs/dbraw/zinc/16/02/84/518160284.db2.gz ISLXXGGMYXYJND-RTBURBONSA-N 1 3 373.541 2.817 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCOc2ccccc21 ZINC000522761229 518160287 /nfs/dbraw/zinc/16/02/87/518160287.db2.gz ISLXXGGMYXYJND-RTBURBONSA-N 1 3 373.541 2.817 20 0 FFADHO Fc1cccnc1N1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000581304501 518219996 /nfs/dbraw/zinc/21/99/96/518219996.db2.gz HCCPYOZJFQZEBB-UQASEVPWSA-N 1 3 368.456 2.645 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 ZINC000581380082 518257009 /nfs/dbraw/zinc/25/70/09/518257009.db2.gz HGNMGCPAKJSJIL-KURKYZTESA-N 1 3 371.447 2.938 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000572619962 518280761 /nfs/dbraw/zinc/28/07/61/518280761.db2.gz YOXPTPWGVPDXDY-DOIPELPJSA-N 1 3 370.541 2.667 20 0 FFADHO Cc1cc(NC(=O)CCN(C)c2ccncc2)ccc1OCC[NH+](C)C ZINC000578600621 518283216 /nfs/dbraw/zinc/28/32/16/518283216.db2.gz RSAPDOBEWLFRCA-UHFFFAOYSA-N 1 3 356.470 2.795 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000575800529 518286686 /nfs/dbraw/zinc/28/66/86/518286686.db2.gz OPYYZJMJAQOJEJ-KVPLUYHFSA-N 1 3 365.562 2.632 20 0 FFADHO CC1CCN(C(=O)C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC000569817647 518308588 /nfs/dbraw/zinc/30/85/88/518308588.db2.gz ULWISKLSOSXQFS-UHFFFAOYSA-N 1 3 355.526 2.803 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000575865755 518318164 /nfs/dbraw/zinc/31/81/64/518318164.db2.gz RLYFLYQXKZZPDK-INIZCTEOSA-N 1 3 367.493 2.593 20 0 FFADHO C[C@]1(CNC(=O)NCc2ccc(C[NH3+])cc2)CCCN1Cc1ccccc1 ZINC000572719112 518328060 /nfs/dbraw/zinc/32/80/60/518328060.db2.gz INRVWGUBWMSRGV-JOCHJYFZSA-N 1 3 366.509 2.999 20 0 FFADHO Cc1cc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)n(C2CCN(C)CC2)n1 ZINC000564187253 518341079 /nfs/dbraw/zinc/34/10/79/518341079.db2.gz DPJPQHLYVLCBFN-HNNXBMFYSA-N 1 3 370.501 2.800 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000569912531 518352156 /nfs/dbraw/zinc/35/21/56/518352156.db2.gz GMYCIEWLOFYCJK-ICSRJNTNSA-N 1 3 358.530 2.909 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000569957114 518375500 /nfs/dbraw/zinc/37/55/00/518375500.db2.gz HYLOMKVBWJSZGI-WFASDCNBSA-N 1 3 353.894 2.963 20 0 FFADHO CN1CCCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576038657 518399673 /nfs/dbraw/zinc/39/96/73/518399673.db2.gz HOWWNZSNAJIOMT-QFIPXVFZSA-N 1 3 370.585 2.801 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000570056635 518422768 /nfs/dbraw/zinc/42/27/68/518422768.db2.gz VURGPTGTVVUSAZ-NRFANRHFSA-N 1 3 367.493 2.610 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]1 ZINC000578980246 518465001 /nfs/dbraw/zinc/46/50/01/518465001.db2.gz FABNYMCXWLPWSA-JYYAWHABSA-N 1 3 350.532 2.571 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1=CCN(C)CC1 ZINC000584775774 518472192 /nfs/dbraw/zinc/47/21/92/518472192.db2.gz WODUQHQGHYDPJL-TZMCWYRMSA-N 1 3 359.297 2.973 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1=CCN(C)CC1 ZINC000584775773 518472967 /nfs/dbraw/zinc/47/29/67/518472967.db2.gz WODUQHQGHYDPJL-OCCSQVGLSA-N 1 3 359.297 2.973 20 0 FFADHO Cc1cc(C)n(-c2ccc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2)n1 ZINC000576283730 518517926 /nfs/dbraw/zinc/51/79/26/518517926.db2.gz ZUBJSNYJFWYLOB-LJQANCHMSA-N 1 3 354.498 2.676 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)c2)CC1 ZINC000570262951 518522256 /nfs/dbraw/zinc/52/22/56/518522256.db2.gz QBTVSRGGEVDWFE-FQEVSTJZSA-N 1 3 373.545 2.858 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000579123929 518533662 /nfs/dbraw/zinc/53/36/62/518533662.db2.gz ADIPZFBJCDJIRQ-GOSISDBHSA-N 1 3 373.463 2.526 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000579123929 518533666 /nfs/dbraw/zinc/53/36/66/518533666.db2.gz ADIPZFBJCDJIRQ-GOSISDBHSA-N 1 3 373.463 2.526 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000564644302 518542976 /nfs/dbraw/zinc/54/29/76/518542976.db2.gz ACOPZTGTCNVUOB-UZLBHIALSA-N 1 3 354.498 2.823 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000564644302 518542979 /nfs/dbraw/zinc/54/29/79/518542979.db2.gz ACOPZTGTCNVUOB-UZLBHIALSA-N 1 3 354.498 2.823 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3([NH3+])CCCCC3)c(C)c2)CC1 ZINC000582050219 518564483 /nfs/dbraw/zinc/56/44/83/518564483.db2.gz YRDQOCYDHMHRFP-UHFFFAOYSA-N 1 3 373.545 2.920 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000573249858 518575746 /nfs/dbraw/zinc/57/57/46/518575746.db2.gz JQWXFKGJNKANNW-ZRBLBEILSA-N 1 3 368.521 2.679 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000573249858 518575753 /nfs/dbraw/zinc/57/57/53/518575753.db2.gz JQWXFKGJNKANNW-ZRBLBEILSA-N 1 3 368.521 2.679 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000573249858 518575759 /nfs/dbraw/zinc/57/57/59/518575759.db2.gz JQWXFKGJNKANNW-ZRBLBEILSA-N 1 3 368.521 2.679 20 0 FFADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccn1 ZINC000576411924 518580835 /nfs/dbraw/zinc/58/08/35/518580835.db2.gz JZQKZUPHXGVDMV-OXQOHEQNSA-N 1 3 355.482 2.898 20 0 FFADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccn1 ZINC000576411924 518580843 /nfs/dbraw/zinc/58/08/43/518580843.db2.gz JZQKZUPHXGVDMV-OXQOHEQNSA-N 1 3 355.482 2.898 20 0 FFADHO [NH3+][C@H]1C[C@@H](NCc2ccc(CN3CCC(O)CC3)cc2)c2ccccc21 ZINC000564824691 518634852 /nfs/dbraw/zinc/63/48/52/518634852.db2.gz WRQJRTISSKTECL-FCHUYYIVSA-N 1 3 351.494 2.878 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000567685211 518653830 /nfs/dbraw/zinc/65/38/30/518653830.db2.gz XMGQSJOLVCWNOM-XHSDSOJGSA-N 1 3 371.319 2.651 20 0 FFADHO O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000567829538 518734373 /nfs/dbraw/zinc/73/43/73/518734373.db2.gz ZHJXCMNLLHLHAC-SFHVURJKSA-N 1 3 350.466 2.578 20 0 FFADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C)c(Cl)c1 ZINC000573600901 518745360 /nfs/dbraw/zinc/74/53/60/518745360.db2.gz UXJFERNEOGWWDX-MRXNPFEDSA-N 1 3 368.953 2.791 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000567854872 518749393 /nfs/dbraw/zinc/74/93/93/518749393.db2.gz OBNPJBYCLBTKDK-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000570839848 518805902 /nfs/dbraw/zinc/80/59/02/518805902.db2.gz PBWOLKSHDFDYLV-OXQOHEQNSA-N 1 3 352.482 2.608 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000570840711 518806453 /nfs/dbraw/zinc/80/64/53/518806453.db2.gz BKRJBDHOKVULQD-OXJNMPFZSA-N 1 3 352.482 2.630 20 0 FFADHO CSC1(CNC(=O)NCC2([NH+](C)C)CCCCCC2)CCN(C)CC1 ZINC000567976567 518809431 /nfs/dbraw/zinc/80/94/31/518809431.db2.gz RTKAGSPVVCMTGI-UHFFFAOYSA-N 1 3 370.607 2.768 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000573752408 518817343 /nfs/dbraw/zinc/81/73/43/518817343.db2.gz GYJFMYLDWNHNNC-RLLQIKCJSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000573752408 518817350 /nfs/dbraw/zinc/81/73/50/518817350.db2.gz GYJFMYLDWNHNNC-RLLQIKCJSA-N 1 3 358.530 2.679 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000570925848 518845360 /nfs/dbraw/zinc/84/53/60/518845360.db2.gz MOTADKDIZHKXRR-AQNXPRMDSA-N 1 3 361.530 2.720 20 0 FFADHO CN(CCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)Cc1ccco1 ZINC000579851487 518886134 /nfs/dbraw/zinc/88/61/34/518886134.db2.gz PECGSTHZNOSHEA-UHFFFAOYSA-N 1 3 357.498 2.978 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573902502 518891226 /nfs/dbraw/zinc/89/12/26/518891226.db2.gz ZZQLGTJXYKRLOI-UYAOXDASSA-N 1 3 355.482 2.962 20 0 FFADHO CC[NH2+]CC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000582786741 518921773 /nfs/dbraw/zinc/92/17/73/518921773.db2.gz AUJOTIAWLIJWAC-LJQANCHMSA-N 1 3 365.468 2.777 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc4CC3)CC2)CC1 ZINC000568198663 518921990 /nfs/dbraw/zinc/92/19/90/518921990.db2.gz FPAXGIPTCIYMJF-UHFFFAOYSA-N 1 3 369.553 2.810 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000582828378 518940711 /nfs/dbraw/zinc/94/07/11/518940711.db2.gz QVZUUYBQBDCIHF-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000582828378 518940719 /nfs/dbraw/zinc/94/07/19/518940719.db2.gz QVZUUYBQBDCIHF-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000580023809 518966441 /nfs/dbraw/zinc/96/64/41/518966441.db2.gz QCPZFBWALDPCIC-ZDUSSCGKSA-N 1 3 355.324 2.521 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000568373194 519007761 /nfs/dbraw/zinc/00/77/61/519007761.db2.gz YLMJTPRSFKRANM-UYAOXDASSA-N 1 3 358.530 2.810 20 0 FFADHO OC1(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000574150723 519013001 /nfs/dbraw/zinc/01/30/01/519013001.db2.gz FSDXDPFNFIKMKC-UHFFFAOYSA-N 1 3 352.906 2.683 20 0 FFADHO C[C@@H](OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000580185365 519049988 /nfs/dbraw/zinc/04/99/88/519049988.db2.gz HJNWLULGPUURTF-WCSCSJSISA-N 1 3 352.906 2.993 20 0 FFADHO C[C@@H](OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000580185365 519049997 /nfs/dbraw/zinc/04/99/97/519049997.db2.gz HJNWLULGPUURTF-WCSCSJSISA-N 1 3 352.906 2.993 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000568608767 519126954 /nfs/dbraw/zinc/12/69/54/519126954.db2.gz FCNJANWXADQSIR-OXQOHEQNSA-N 1 3 354.498 2.871 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000568608767 519126959 /nfs/dbraw/zinc/12/69/59/519126959.db2.gz FCNJANWXADQSIR-OXQOHEQNSA-N 1 3 354.498 2.871 20 0 FFADHO CC(C)(O)[C@@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000580402523 519155856 /nfs/dbraw/zinc/15/58/56/519155856.db2.gz PTQZKTVOBKKQKM-OALUTQOASA-N 1 3 361.530 2.552 20 0 FFADHO CC(C)(O)[C@@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000580402523 519155865 /nfs/dbraw/zinc/15/58/65/519155865.db2.gz PTQZKTVOBKKQKM-OALUTQOASA-N 1 3 361.530 2.552 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C[C@H]1C[NH3+] ZINC000568730379 519186338 /nfs/dbraw/zinc/18/63/38/519186338.db2.gz JUBQZMAFHJOAPV-BRWVUGGUSA-N 1 3 364.559 2.586 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000583353161 519201135 /nfs/dbraw/zinc/20/11/35/519201135.db2.gz FXKNHNZMDUUOBD-UHFFFAOYSA-N 1 3 359.558 2.916 20 0 FFADHO Cc1nc(-c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2)cs1 ZINC000565989453 519230836 /nfs/dbraw/zinc/23/08/36/519230836.db2.gz OXQBZPZUVBQPQA-UHFFFAOYSA-N 1 3 360.527 2.684 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCCC[C@@H]2C[NH3+])[C@@H]1c1cccs1 ZINC000568856198 519251406 /nfs/dbraw/zinc/25/14/06/519251406.db2.gz VNGDPTHXWOKIEY-BFYDXBDKSA-N 1 3 350.532 2.654 20 0 FFADHO [NH3+][C@@H]1C[C@@H](NCc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000566089260 519291774 /nfs/dbraw/zinc/29/17/74/519291774.db2.gz NZWMMILTQDVSRF-FGZHOGPDSA-N 1 3 351.494 2.878 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc4c(cn3)CCCC4)CC2)CC1 ZINC000568941727 519293369 /nfs/dbraw/zinc/29/33/69/519293369.db2.gz AAALASSMLPQPGM-UHFFFAOYSA-N 1 3 371.529 2.641 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000577920224 519320210 /nfs/dbraw/zinc/32/02/10/519320210.db2.gz GSITXZUTBIACTO-MRXNPFEDSA-N 1 3 364.538 2.700 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000577920224 519320214 /nfs/dbraw/zinc/32/02/14/519320214.db2.gz GSITXZUTBIACTO-MRXNPFEDSA-N 1 3 364.538 2.700 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH3+])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000566189431 519359729 /nfs/dbraw/zinc/35/97/29/519359729.db2.gz MUSZZCWBCMKZPI-UHFFFAOYSA-N 1 3 366.509 2.951 20 0 FFADHO CCN(C(=O)COC1CCC([NH3+])CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000578010954 519370866 /nfs/dbraw/zinc/37/08/66/519370866.db2.gz IVSUBFHLQVXCOM-PPXMBRMGSA-N 1 3 373.541 2.957 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000583688594 519382105 /nfs/dbraw/zinc/38/21/05/519382105.db2.gz QWULLRKTICGXAK-KFWWJZLASA-N 1 3 360.420 2.908 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000578047351 519390518 /nfs/dbraw/zinc/39/05/18/519390518.db2.gz VQXWZCLHNUAGOX-UYAOXDASSA-N 1 3 369.513 2.602 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccccc3Br)C[C@@H]21 ZINC000566244461 519390563 /nfs/dbraw/zinc/39/05/63/519390563.db2.gz WEWQHLPUJCVIFL-VNHYZAJKSA-N 1 3 366.303 2.837 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000574906206 519397242 /nfs/dbraw/zinc/39/72/42/519397242.db2.gz FCVZMSZBPFMJFB-ULQDDVLXSA-N 1 3 364.559 2.647 20 0 FFADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCc2ccccc2C1 ZINC000580882444 519408087 /nfs/dbraw/zinc/40/80/87/519408087.db2.gz JGRPKCCDPDJZSQ-XUVXKRRUSA-N 1 3 370.541 2.592 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000574975958 519433064 /nfs/dbraw/zinc/43/30/64/519433064.db2.gz SKNVPNHJGBOICT-ATLSCFEFSA-N 1 3 364.921 2.630 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000583800938 519440608 /nfs/dbraw/zinc/44/06/08/519440608.db2.gz XEDWRLLRGAFYQD-SFHVURJKSA-N 1 3 360.502 2.801 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000583800938 519440618 /nfs/dbraw/zinc/44/06/18/519440618.db2.gz XEDWRLLRGAFYQD-SFHVURJKSA-N 1 3 360.502 2.801 20 0 FFADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)Cc1cccc(Cl)c1 ZINC000572114921 519451805 /nfs/dbraw/zinc/45/18/05/519451805.db2.gz NCQRFVYMVSXEBE-NHCUHLMSSA-N 1 3 374.912 2.600 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000581000732 519469273 /nfs/dbraw/zinc/46/92/73/519469273.db2.gz AXCJURZAJHBRGE-YJBOKZPZSA-N 1 3 364.559 2.871 20 0 FFADHO COc1cc2[nH+]ccc(N3CCC[C@@H](N4CCOCC4)CC3)c2cc1OC ZINC000575072357 519484360 /nfs/dbraw/zinc/48/43/60/519484360.db2.gz YSNXFFNIZQNTFM-MRXNPFEDSA-N 1 3 371.481 2.943 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000569335744 519499428 /nfs/dbraw/zinc/49/94/28/519499428.db2.gz QKMDEXWNQXICSX-DUXKGJEZSA-N 1 3 370.541 2.907 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000569335744 519499438 /nfs/dbraw/zinc/49/94/38/519499438.db2.gz QKMDEXWNQXICSX-DUXKGJEZSA-N 1 3 370.541 2.907 20 0 FFADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000581126367 519537361 /nfs/dbraw/zinc/53/73/61/519537361.db2.gz HBNWDFXBMVBFMZ-HXUWFJFHSA-N 1 3 360.498 2.626 20 0 FFADHO C[C@@H]1C[C@H](CCN[C@@H](Cc2ccccc2)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000575219783 519560033 /nfs/dbraw/zinc/56/00/33/519560033.db2.gz KGEAHDRLUZFQPT-COPCDDAFSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@H](CCN[C@@H](Cc2ccccc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000575219783 519560040 /nfs/dbraw/zinc/56/00/40/519560040.db2.gz KGEAHDRLUZFQPT-COPCDDAFSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000581189907 519568122 /nfs/dbraw/zinc/56/81/22/519568122.db2.gz DXKKLYROFZXPSE-GTAWCEEGSA-N 1 3 353.510 2.783 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000581189907 519568123 /nfs/dbraw/zinc/56/81/23/519568123.db2.gz DXKKLYROFZXPSE-GTAWCEEGSA-N 1 3 353.510 2.783 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000581189909 519568498 /nfs/dbraw/zinc/56/84/98/519568498.db2.gz DXKKLYROFZXPSE-MDNKFWRPSA-N 1 3 353.510 2.783 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000581189909 519568506 /nfs/dbraw/zinc/56/85/06/519568506.db2.gz DXKKLYROFZXPSE-MDNKFWRPSA-N 1 3 353.510 2.783 20 0 FFADHO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000569559380 519610585 /nfs/dbraw/zinc/61/05/85/519610585.db2.gz WRQMBOWRQOCJJF-ROUUACIJSA-N 1 3 350.551 2.849 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000591543908 519944282 /nfs/dbraw/zinc/94/42/82/519944282.db2.gz RDNHAEDVYMMNPQ-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO OC1CC[NH+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)CC1 ZINC000591725254 520012010 /nfs/dbraw/zinc/01/20/10/520012010.db2.gz WLEQYMWKQOEKQD-UHFFFAOYSA-N 1 3 350.466 2.809 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608640364 520058309 /nfs/dbraw/zinc/05/83/09/520058309.db2.gz OMMWEWRTKMISFH-VQTJNVASSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000594975659 520239038 /nfs/dbraw/zinc/23/90/38/520239038.db2.gz AAWFMHARFOVJJC-JZXOWHBKSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000594975659 520239044 /nfs/dbraw/zinc/23/90/44/520239044.db2.gz AAWFMHARFOVJJC-JZXOWHBKSA-N 1 3 350.551 2.526 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000612976470 520252468 /nfs/dbraw/zinc/25/24/68/520252468.db2.gz IWLGJXBPCWBEPB-CTWPCTMYSA-N 1 3 362.562 2.671 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000595069797 520278888 /nfs/dbraw/zinc/27/88/88/520278888.db2.gz LDQHHXHXJRDMPK-CPTIDLKLSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000595069797 520278898 /nfs/dbraw/zinc/27/88/98/520278898.db2.gz LDQHHXHXJRDMPK-CPTIDLKLSA-N 1 3 372.534 2.841 20 0 FFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000617343078 520441801 /nfs/dbraw/zinc/44/18/01/520441801.db2.gz LHKYMZLGWUIONU-VQTJNVASSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000617343078 520441806 /nfs/dbraw/zinc/44/18/06/520441806.db2.gz LHKYMZLGWUIONU-VQTJNVASSA-N 1 3 357.542 2.930 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CC1 ZINC000604187935 520476506 /nfs/dbraw/zinc/47/65/06/520476506.db2.gz MISUSBJASOFYAY-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CC1 ZINC000604187935 520476511 /nfs/dbraw/zinc/47/65/11/520476511.db2.gz MISUSBJASOFYAY-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604201635 520484144 /nfs/dbraw/zinc/48/41/44/520484144.db2.gz CRPDRTFERGCZLK-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000617504386 520538750 /nfs/dbraw/zinc/53/87/50/520538750.db2.gz TWBRLZWEKKAUOX-HNNXBMFYSA-N 1 3 351.922 2.760 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000617504386 520538760 /nfs/dbraw/zinc/53/87/60/520538760.db2.gz TWBRLZWEKKAUOX-HNNXBMFYSA-N 1 3 351.922 2.760 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cncc(-c2ccccc2)c1 ZINC000617506187 520541077 /nfs/dbraw/zinc/54/10/77/520541077.db2.gz DZSJERZUNIPWCS-KRWDZBQOSA-N 1 3 354.498 2.750 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cncc(-c2ccccc2)c1 ZINC000617506187 520541079 /nfs/dbraw/zinc/54/10/79/520541079.db2.gz DZSJERZUNIPWCS-KRWDZBQOSA-N 1 3 354.498 2.750 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000617504968 520541680 /nfs/dbraw/zinc/54/16/80/520541680.db2.gz RIQQYEXBUBGVGN-KKUMJFAQSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000617504968 520541687 /nfs/dbraw/zinc/54/16/87/520541687.db2.gz RIQQYEXBUBGVGN-KKUMJFAQSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000617506133 520543256 /nfs/dbraw/zinc/54/32/56/520543256.db2.gz ANWBWHWZWLBZJH-YOEHRIQHSA-N 1 3 351.922 2.758 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000617506133 520543260 /nfs/dbraw/zinc/54/32/60/520543260.db2.gz ANWBWHWZWLBZJH-YOEHRIQHSA-N 1 3 351.922 2.758 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1-c1ccccc1F ZINC000617507521 520545241 /nfs/dbraw/zinc/54/52/41/520545241.db2.gz ZZRQVZSVDQUMQU-HNNXBMFYSA-N 1 3 360.477 2.823 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1-c1ccccc1F ZINC000617507521 520545245 /nfs/dbraw/zinc/54/52/45/520545245.db2.gz ZZRQVZSVDQUMQU-HNNXBMFYSA-N 1 3 360.477 2.823 20 0 FFADHO C[C@H](CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000617750995 520702508 /nfs/dbraw/zinc/70/25/08/520702508.db2.gz OTZBQVIFOJRCLH-CRAIPNDOSA-N 1 3 371.447 2.897 20 0 FFADHO C[C@H](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+](C)C ZINC000617759297 520705964 /nfs/dbraw/zinc/70/59/64/520705964.db2.gz CVTHACLQRPKTGR-NVXWUHKLSA-N 1 3 353.457 2.600 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000605404014 520862692 /nfs/dbraw/zinc/86/26/92/520862692.db2.gz NQMVYCKVYMTFON-RTBURBONSA-N 1 3 365.562 2.506 20 0 FFADHO [NH3+]CC1(CCNCc2c(F)ccc(I)c2F)CC1 ZINC000593315709 520903395 /nfs/dbraw/zinc/90/33/95/520903395.db2.gz KWIOQTBJXXRAJK-UHFFFAOYSA-N 1 3 366.193 2.788 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000593402168 520968974 /nfs/dbraw/zinc/96/89/74/520968974.db2.gz CTNBLANDBANXGZ-LJQANCHMSA-N 1 3 353.551 2.602 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000605989057 520987901 /nfs/dbraw/zinc/98/79/01/520987901.db2.gz WUOAZKYTUKUJGH-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO COC(=O)CC1CCC([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CC1 ZINC000599031004 520991839 /nfs/dbraw/zinc/99/18/39/520991839.db2.gz CAKMZIFCAYAMIE-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000606618344 521107870 /nfs/dbraw/zinc/10/78/70/521107870.db2.gz UKUVTEINTBTHGY-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCC[C@H]1C ZINC000606638609 521117781 /nfs/dbraw/zinc/11/77/81/521117781.db2.gz RIRAPPDDAQTDNX-GUDVDZBRSA-N 1 3 350.551 2.909 20 0 FFADHO CCN(C)C[C@H]1CC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599316211 521146046 /nfs/dbraw/zinc/14/60/46/521146046.db2.gz MSMWKPRDJLXOKP-ZRZPHAQCSA-N 1 3 354.535 2.523 20 0 FFADHO CCN(C)C[C@H]1CC[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599316211 521146070 /nfs/dbraw/zinc/14/60/70/521146070.db2.gz MSMWKPRDJLXOKP-ZRZPHAQCSA-N 1 3 354.535 2.523 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599316211 521146076 /nfs/dbraw/zinc/14/60/76/521146076.db2.gz MSMWKPRDJLXOKP-ZRZPHAQCSA-N 1 3 354.535 2.523 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599316211 521146084 /nfs/dbraw/zinc/14/60/84/521146084.db2.gz MSMWKPRDJLXOKP-ZRZPHAQCSA-N 1 3 354.535 2.523 20 0 FFADHO CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692268 521224525 /nfs/dbraw/zinc/22/45/25/521224525.db2.gz ATBWMGUQZGKMSJ-GVDBMIGSSA-N 1 3 358.596 2.574 20 0 FFADHO CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692268 521224533 /nfs/dbraw/zinc/22/45/33/521224533.db2.gz ATBWMGUQZGKMSJ-GVDBMIGSSA-N 1 3 358.596 2.574 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000625943990 521797965 /nfs/dbraw/zinc/79/79/65/521797965.db2.gz CEQRPRBFMXTCIW-UHFFFAOYSA-N 1 3 360.502 2.802 20 0 FFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635004698 521859761 /nfs/dbraw/zinc/85/97/61/521859761.db2.gz GBTHLCFOPIWHMG-KAGYGMCKSA-N 1 3 352.526 2.842 20 0 FFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000635008301 521864437 /nfs/dbraw/zinc/86/44/37/521864437.db2.gz IQVPSNWRAYTZNL-CQSZACIVSA-N 1 3 365.481 2.894 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000632270542 521994369 /nfs/dbraw/zinc/99/43/69/521994369.db2.gz PEKXCONLVOUYPA-VQTJNVASSA-N 1 3 358.530 2.877 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000632270542 521994383 /nfs/dbraw/zinc/99/43/83/521994383.db2.gz PEKXCONLVOUYPA-VQTJNVASSA-N 1 3 358.530 2.877 20 0 FFADHO C/C=C\C[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000623564441 522123408 /nfs/dbraw/zinc/12/34/08/522123408.db2.gz CRVLYLUSZCZCOQ-DDKKJVIOSA-N 1 3 362.562 2.933 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1 ZINC000623593957 522148900 /nfs/dbraw/zinc/14/89/00/522148900.db2.gz MTRIIKXUEFIFIK-NRFANRHFSA-N 1 3 356.466 2.947 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC[C@@]2(C)COc3ccccc3O2)cc1 ZINC000623593957 522148903 /nfs/dbraw/zinc/14/89/03/522148903.db2.gz MTRIIKXUEFIFIK-NRFANRHFSA-N 1 3 356.466 2.947 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)C12CCC[NH+](CCC1)C2 ZINC000635438393 522263594 /nfs/dbraw/zinc/26/35/94/522263594.db2.gz CGBZSBYBKPVECH-HXUWFJFHSA-N 1 3 355.526 2.891 20 0 FFADHO C[C@H](Cc1ccc(F)c(Br)c1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629572335 522326041 /nfs/dbraw/zinc/32/60/41/522326041.db2.gz ZPDWYUUHZDRFNL-TZMCWYRMSA-N 1 3 359.283 2.566 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000623878223 522341504 /nfs/dbraw/zinc/34/15/04/522341504.db2.gz BWPPWEZHNPEATL-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000623878223 522341510 /nfs/dbraw/zinc/34/15/10/522341510.db2.gz BWPPWEZHNPEATL-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCOc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)nc2)c1 ZINC000629700268 522400994 /nfs/dbraw/zinc/40/09/94/522400994.db2.gz IDDLWTDODBUAGJ-GOSISDBHSA-N 1 3 368.481 2.627 20 0 FFADHO CC[NH+](CC)CCOc1ccc(-c2ccc(N3CCNCC3)nc2)cc1 ZINC000629705076 522405996 /nfs/dbraw/zinc/40/59/96/522405996.db2.gz GIADBCSDKVPKES-UHFFFAOYSA-N 1 3 354.498 2.879 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCCCC[C@H]([NH3+])C3)c2)CC1 ZINC000632932806 522406085 /nfs/dbraw/zinc/40/60/85/522406085.db2.gz BRCHVQSOANHUOG-KRWDZBQOSA-N 1 3 359.518 2.564 20 0 FFADHO C[NH+](C)CC1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000635666672 522438152 /nfs/dbraw/zinc/43/81/52/522438152.db2.gz KFMYOSXBCDULNX-UHFFFAOYSA-N 1 3 373.541 2.516 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)C12CCC[NH+](CCC1)C2 ZINC000635673705 522443708 /nfs/dbraw/zinc/44/37/08/522443708.db2.gz FVROAUXBNPDTQZ-UHFFFAOYSA-N 1 3 371.525 2.705 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624120961 522490165 /nfs/dbraw/zinc/49/01/65/522490165.db2.gz KVACYWSEUUNQOF-SJORKVTESA-N 1 3 365.543 2.609 20 0 FFADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1OCC(=O)N(C)C ZINC000624120928 522490396 /nfs/dbraw/zinc/49/03/96/522490396.db2.gz KIKJOSVWTQSXHZ-MJGOQNOKSA-N 1 3 361.530 2.926 20 0 FFADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1OCC(=O)N(C)C ZINC000624120927 522490646 /nfs/dbraw/zinc/49/06/46/522490646.db2.gz KIKJOSVWTQSXHZ-IEBWSBKVSA-N 1 3 361.530 2.926 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635751916 522506059 /nfs/dbraw/zinc/50/60/59/522506059.db2.gz FNNQARIEINLKBA-HXUWFJFHSA-N 1 3 365.562 2.600 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635751916 522506073 /nfs/dbraw/zinc/50/60/73/522506073.db2.gz FNNQARIEINLKBA-HXUWFJFHSA-N 1 3 365.562 2.600 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCNC[C@@H]1C(C)C)c1ccsc1 ZINC000626933926 522540081 /nfs/dbraw/zinc/54/00/81/522540081.db2.gz PYOHTRXQUWYCLT-SJORKVTESA-N 1 3 352.548 2.770 20 0 FFADHO C[NH2+]C1(CNC(=O)c2ccccc2OCCN2CCCC[C@@H]2C)CCC1 ZINC000630001228 522577000 /nfs/dbraw/zinc/57/70/00/522577000.db2.gz YGTIERPHSANXIZ-KRWDZBQOSA-N 1 3 359.514 2.812 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000627045815 522614461 /nfs/dbraw/zinc/61/44/61/522614461.db2.gz VZEXKGZUAKKJTD-SJORKVTESA-N 1 3 362.543 2.595 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000621104456 522626577 /nfs/dbraw/zinc/62/65/77/522626577.db2.gz YNMQPRUPTGCTQP-SFTDATJTSA-N 1 3 370.541 2.532 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000621104456 522626582 /nfs/dbraw/zinc/62/65/82/522626582.db2.gz YNMQPRUPTGCTQP-SFTDATJTSA-N 1 3 370.541 2.532 20 0 FFADHO C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C[NH2+]1 ZINC000627194162 522708324 /nfs/dbraw/zinc/70/83/24/522708324.db2.gz CPNKMIJIYIKZOF-YOEHRIQHSA-N 1 3 352.910 2.554 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C[NH2+]1 ZINC000627200852 522711714 /nfs/dbraw/zinc/71/17/14/522711714.db2.gz UMZWJUBYQWXBPY-CBQOVEMMSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000624610584 522816374 /nfs/dbraw/zinc/81/63/74/522816374.db2.gz VXCOALMCGDWABA-CTNGQTDRSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000624610584 522816379 /nfs/dbraw/zinc/81/63/79/522816379.db2.gz VXCOALMCGDWABA-CTNGQTDRSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000624613219 522822596 /nfs/dbraw/zinc/82/25/96/522822596.db2.gz OJDHDWXQVQBQMQ-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000624613219 522822603 /nfs/dbraw/zinc/82/26/03/522822603.db2.gz OJDHDWXQVQBQMQ-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(c4ccccc4)C3)CC2)CC1 ZINC000621449461 522850761 /nfs/dbraw/zinc/85/07/61/522850761.db2.gz SZGBYDOOGJLDTI-UHFFFAOYSA-N 1 3 370.541 2.528 20 0 FFADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000621641724 522991324 /nfs/dbraw/zinc/99/13/24/522991324.db2.gz UKKWILGATDJGGI-FXAWDEMLSA-N 1 3 361.530 2.974 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)CC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000621648684 522994381 /nfs/dbraw/zinc/99/43/81/522994381.db2.gz ZMLVSOZQOZSLGB-GOSISDBHSA-N 1 3 358.530 2.542 20 0 FFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631069015 523351697 /nfs/dbraw/zinc/35/16/97/523351697.db2.gz NUBOEMSIODFLEW-UHFFFAOYSA-N 1 3 371.447 2.824 20 0 FFADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)Cc2ccccc2C1 ZINC000622391153 523385390 /nfs/dbraw/zinc/38/53/90/523385390.db2.gz ZPWTWLLJBBNPAW-NRFANRHFSA-N 1 3 369.553 2.999 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C(F)(F)[C@@H](C)C3)CC2)CC1 ZINC000628400205 523533676 /nfs/dbraw/zinc/53/36/76/523533676.db2.gz ZRKHQKCXYBHQJQ-HOTGVXAUSA-N 1 3 371.516 2.932 20 0 FFADHO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722157 523608966 /nfs/dbraw/zinc/60/89/66/523608966.db2.gz KREDLMQEYPBVEA-FSSWDIPSSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@](O)(C[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722157 523608972 /nfs/dbraw/zinc/60/89/72/523608972.db2.gz KREDLMQEYPBVEA-FSSWDIPSSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@](O)(C[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722157 523608984 /nfs/dbraw/zinc/60/89/84/523608984.db2.gz KREDLMQEYPBVEA-FSSWDIPSSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1(C)CCN(Cc3ccccc3)CC1)C2 ZINC000634742378 523625209 /nfs/dbraw/zinc/62/52/09/523625209.db2.gz KCVCSDSCZKYJQO-SZPZYZBQSA-N 1 3 355.526 2.747 20 0 FFADHO OC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCN(Cc2ccccc2)CC1 ZINC000631640927 523732027 /nfs/dbraw/zinc/73/20/27/523732027.db2.gz GAANKJJEXXHBBL-ACRUOGEOSA-N 1 3 370.537 2.951 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899049488 735438101 /nfs/dbraw/zinc/43/81/01/735438101.db2.gz QJWBVLHQBMBPGT-LLVKDONJSA-N 1 3 351.882 2.816 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000063148994 728134462 /nfs/dbraw/zinc/13/44/62/728134462.db2.gz UJCOCHYHMPKUFW-UHFFFAOYSA-N 1 3 364.559 2.788 20 0 FFADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000333927654 729812576 /nfs/dbraw/zinc/81/25/76/729812576.db2.gz WOZOLZFMSVDDCU-JYJNAYRXSA-N 1 3 350.532 2.652 20 0 FFADHO O[C@H](C[NH2+][C@H]1CCCc2ncc(Br)cc21)CN1CCCCC1 ZINC000924756908 738444254 /nfs/dbraw/zinc/44/42/54/738444254.db2.gz NONVMRZJXJQSSF-PBHICJAKSA-N 1 3 368.319 2.658 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000924954970 738465367 /nfs/dbraw/zinc/46/53/67/738465367.db2.gz YQYIFNAUMXSYNV-HUUCEWRRSA-N 1 3 369.351 2.768 20 0 FFADHO CC(C)n1ncc2cc(CNCCC[N@H+](C)CCN(C)C)c(Cl)nc21 ZINC000857783941 730410344 /nfs/dbraw/zinc/41/03/44/730410344.db2.gz JZNXVDGNZHNIKE-UHFFFAOYSA-N 1 3 366.941 2.639 20 0 FFADHO CC(C)n1ncc2cc(CNCCC[N@@H+](C)CCN(C)C)c(Cl)nc21 ZINC000857783941 730410345 /nfs/dbraw/zinc/41/03/45/730410345.db2.gz JZNXVDGNZHNIKE-UHFFFAOYSA-N 1 3 366.941 2.639 20 0 FFADHO CN(C)CC[N@H+](C)CCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000857784086 730410360 /nfs/dbraw/zinc/41/03/60/730410360.db2.gz PUHMBFFCJCSTJD-UHFFFAOYSA-N 1 3 358.317 2.614 20 0 FFADHO CN(C)CC[N@@H+](C)CCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000857784086 730410361 /nfs/dbraw/zinc/41/03/61/730410361.db2.gz PUHMBFFCJCSTJD-UHFFFAOYSA-N 1 3 358.317 2.614 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1([NH3+])CCC1 ZINC000646254459 730646247 /nfs/dbraw/zinc/64/62/47/730646247.db2.gz SSKIBHBYWQWVSK-UHFFFAOYSA-N 1 3 357.420 2.867 20 0 FFADHO C[NH+](C)CC1CCN(C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862220810 730677603 /nfs/dbraw/zinc/67/76/03/730677603.db2.gz QGPYDRIDBOEGBD-HNNXBMFYSA-N 1 3 361.477 2.905 20 0 FFADHO C[C@H](CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1cccc(Cl)c1 ZINC000863642795 730798325 /nfs/dbraw/zinc/79/83/25/730798325.db2.gz ABQGQVZRUWYNRB-XWIAVFTESA-N 1 3 363.889 2.701 20 0 FFADHO CN(C)Cc1cnc(CNCC2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC000865775477 730996270 /nfs/dbraw/zinc/99/62/70/730996270.db2.gz WGCQIOIHYOCLKY-UHFFFAOYSA-N 1 3 358.555 2.958 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242480 731178276 /nfs/dbraw/zinc/17/82/76/731178276.db2.gz WERJLNASIKRYBA-UHFFFAOYSA-N 1 3 352.910 2.542 20 0 FFADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925495956 738510726 /nfs/dbraw/zinc/51/07/26/738510726.db2.gz OYHZLQMRBCIIDE-QZTJIDSGSA-N 1 3 367.559 2.510 20 0 FFADHO CCN(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CCCCC1 ZINC000652360910 731187766 /nfs/dbraw/zinc/18/77/66/731187766.db2.gz TVPZHJZKGAXLEP-QXAKKESOSA-N 1 3 351.535 2.528 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925532214 738513199 /nfs/dbraw/zinc/51/31/99/738513199.db2.gz VGVMWGDMYHEITI-JKSUJKDBSA-N 1 3 351.878 2.845 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000654372081 731355191 /nfs/dbraw/zinc/35/51/91/731355191.db2.gz BMGNEKZYDLZORE-UAGQMJEPSA-N 1 3 352.548 2.770 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000654665505 731381972 /nfs/dbraw/zinc/38/19/72/731381972.db2.gz LKQOSLXMBMVDCZ-XKQJLSEDSA-N 1 3 352.910 2.582 20 0 FFADHO CN(C)S(=O)(=O)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925592775 738517419 /nfs/dbraw/zinc/51/74/19/738517419.db2.gz HPNAKKRAOKOSKV-LJQANCHMSA-N 1 3 361.511 2.507 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)Cc1ccc(F)c(F)c1 ZINC000925659507 738520928 /nfs/dbraw/zinc/52/09/28/738520928.db2.gz VQSIZJYZDLZKKO-RIFZZMRRSA-N 1 3 352.469 2.874 20 0 FFADHO CN(C)S(=O)(=O)c1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925681580 738523075 /nfs/dbraw/zinc/52/30/75/738523075.db2.gz PCXNHOVDNVTLNZ-IBGZPJMESA-N 1 3 361.511 2.507 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000655268758 731445367 /nfs/dbraw/zinc/44/53/67/731445367.db2.gz BEUNZXYZXGMEGO-QGZVFWFLSA-N 1 3 353.576 2.537 20 0 FFADHO [NH3+]C1CCN(CCN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000925815962 738532617 /nfs/dbraw/zinc/53/26/17/738532617.db2.gz VCXOAGWEGILETL-OAHLLOKOSA-N 1 3 356.283 2.588 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(N2CCCOC2=O)cc1 ZINC000925778663 738529494 /nfs/dbraw/zinc/52/94/94/738529494.db2.gz USLQIVHHKJSFRS-UKRRQHHQSA-N 1 3 353.413 2.929 20 0 FFADHO CC[C@@H]([NH2+]Cc1ccnn1-c1ccncc1)C(=O)NCc1cccs1 ZINC000657498954 731784761 /nfs/dbraw/zinc/78/47/61/731784761.db2.gz PGRNVSXCBDBRKD-QGZVFWFLSA-N 1 3 355.467 2.513 20 0 FFADHO O=C1O[C@H](CN[C@H]2CCCOc3cc(Cl)ccc32)CC12CC[NH2+]CC2 ZINC000925858494 738538635 /nfs/dbraw/zinc/53/86/35/738538635.db2.gz TXIYPCYOZNTVCJ-HOCLYGCPSA-N 1 3 364.873 2.829 20 0 FFADHO Cc1c([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000873258071 731895377 /nfs/dbraw/zinc/89/53/77/731895377.db2.gz LXOFHXIJSMNPLY-MPKXVKKWSA-N 1 3 364.291 2.726 20 0 FFADHO CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)s1 ZINC000873247746 731895690 /nfs/dbraw/zinc/89/56/90/731895690.db2.gz SXSIDIRPUYMABC-GFCCVEGCSA-N 1 3 356.499 2.904 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000659303253 731961090 /nfs/dbraw/zinc/96/10/90/731961090.db2.gz NFJAPJSBBOFPQH-KBPBESRZSA-N 1 3 360.376 2.719 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCN3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497913 732115641 /nfs/dbraw/zinc/11/56/41/732115641.db2.gz SZEIJIKQFIBOIU-ZIFCJYIRSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCN3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497913 732115642 /nfs/dbraw/zinc/11/56/42/732115642.db2.gz SZEIJIKQFIBOIU-ZIFCJYIRSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCN3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497913 732115643 /nfs/dbraw/zinc/11/56/43/732115643.db2.gz SZEIJIKQFIBOIU-ZIFCJYIRSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCN3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497913 732115644 /nfs/dbraw/zinc/11/56/44/732115644.db2.gz SZEIJIKQFIBOIU-ZIFCJYIRSA-N 1 3 365.587 2.919 20 0 FFADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000876743740 732275536 /nfs/dbraw/zinc/27/55/36/732275536.db2.gz LMTCMQFSVVIIEN-LHZYAQQZSA-N 1 3 359.539 2.628 20 0 FFADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000876743838 732275583 /nfs/dbraw/zinc/27/55/83/732275583.db2.gz NJQMASITUHWFKR-MOTZXUDYSA-N 1 3 359.539 2.772 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000877194215 732333395 /nfs/dbraw/zinc/33/33/95/732333395.db2.gz DJSPNHXDMQUOFS-HNNXBMFYSA-N 1 3 352.910 2.766 20 0 FFADHO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878161317 732491000 /nfs/dbraw/zinc/49/10/00/732491000.db2.gz ODLCRUOQWUJTLO-HUUCEWRRSA-N 1 3 351.922 2.974 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000663800642 732495292 /nfs/dbraw/zinc/49/52/92/732495292.db2.gz QBKVEKUWESKSPV-KBXCAEBGSA-N 1 3 366.937 2.899 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000663800642 732495295 /nfs/dbraw/zinc/49/52/95/732495295.db2.gz QBKVEKUWESKSPV-KBXCAEBGSA-N 1 3 366.937 2.899 20 0 FFADHO CSc1ccc(F)cc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664280048 732561554 /nfs/dbraw/zinc/56/15/54/732561554.db2.gz ZQCRPFQNKQBWFY-AWEZNQCLSA-N 1 3 370.538 2.619 20 0 FFADHO CSc1ccc(F)cc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664280048 732561561 /nfs/dbraw/zinc/56/15/61/732561561.db2.gz ZQCRPFQNKQBWFY-AWEZNQCLSA-N 1 3 370.538 2.619 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000664875007 732643014 /nfs/dbraw/zinc/64/30/14/732643014.db2.gz UZCQQRAOCSXQOC-JYJNAYRXSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000664875007 732643017 /nfs/dbraw/zinc/64/30/17/732643017.db2.gz UZCQQRAOCSXQOC-JYJNAYRXSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637681 732734244 /nfs/dbraw/zinc/73/42/44/732734244.db2.gz LANVLYCYODYMFV-JKSUJKDBSA-N 1 3 352.498 2.800 20 0 FFADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637681 732734246 /nfs/dbraw/zinc/73/42/46/732734246.db2.gz LANVLYCYODYMFV-JKSUJKDBSA-N 1 3 352.498 2.800 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000665637034 732734461 /nfs/dbraw/zinc/73/44/61/732734461.db2.gz RJQOSYSHPQWSKU-HNNXBMFYSA-N 1 3 354.926 2.753 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000665637034 732734463 /nfs/dbraw/zinc/73/44/63/732734463.db2.gz RJQOSYSHPQWSKU-HNNXBMFYSA-N 1 3 354.926 2.753 20 0 FFADHO CCOc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1C ZINC000665958716 732779673 /nfs/dbraw/zinc/77/96/73/732779673.db2.gz WYMMQNREXSBONP-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO CCOc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1C ZINC000665958716 732779675 /nfs/dbraw/zinc/77/96/75/732779675.db2.gz WYMMQNREXSBONP-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000666921869 732917361 /nfs/dbraw/zinc/91/73/61/732917361.db2.gz FXPZKJXEHAQXMK-SJORKVTESA-N 1 3 352.910 2.726 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000666921869 732917364 /nfs/dbraw/zinc/91/73/64/732917364.db2.gz FXPZKJXEHAQXMK-SJORKVTESA-N 1 3 352.910 2.726 20 0 FFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2C[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000883374940 733376301 /nfs/dbraw/zinc/37/63/01/733376301.db2.gz WXBYWWCZSGUVLJ-WBAXXEDZSA-N 1 3 368.543 2.763 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](CC)C[NH+]1CCCC1)c1ccco1 ZINC000672942639 733572525 /nfs/dbraw/zinc/57/25/25/733572525.db2.gz JWSLJMBMNGTWLT-YESZJQIVSA-N 1 3 350.507 2.882 20 0 FFADHO CN(C)C[C@@H](NC(=O)N1C2CCC1(C[NH3+])CC2)c1ccc(Cl)cc1 ZINC000892462848 734562072 /nfs/dbraw/zinc/56/20/72/734562072.db2.gz WEDWPHFCHGKOHN-UPTPFMHGSA-N 1 3 350.894 2.608 20 0 FFADHO C[C@H]1C[C@@H](NC(=S)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000751041375 735841836 /nfs/dbraw/zinc/84/18/36/735841836.db2.gz YBAQJMOHTLFTGX-LPHOPBHVSA-N 1 3 360.571 2.598 20 0 FFADHO C[C@H]1C[C@@H](NC(=S)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000751041375 735841839 /nfs/dbraw/zinc/84/18/39/735841839.db2.gz YBAQJMOHTLFTGX-LPHOPBHVSA-N 1 3 360.571 2.598 20 0 FFADHO Brc1cnn(C2(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)c1 ZINC000903228053 736060854 /nfs/dbraw/zinc/06/08/54/736060854.db2.gz SIRGHFBJGZOFNF-VHRNVKJDSA-N 1 3 365.319 2.882 20 0 FFADHO Brc1cnn(C2(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)c1 ZINC000903228053 736060858 /nfs/dbraw/zinc/06/08/58/736060858.db2.gz SIRGHFBJGZOFNF-VHRNVKJDSA-N 1 3 365.319 2.882 20 0 FFADHO Cc1ccc(NC(=O)N2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1Cl ZINC000903455145 736097176 /nfs/dbraw/zinc/09/71/76/736097176.db2.gz RJSIMSTYYCIHTD-CABCVRRESA-N 1 3 350.894 2.925 20 0 FFADHO COc1ccccc1[C@@H]1CSCCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782192 736166336 /nfs/dbraw/zinc/16/63/36/736166336.db2.gz GSOALRFWGWMVSC-XKGZKEIXSA-N 1 3 362.539 2.944 20 0 FFADHO Brc1ccc2c(c1)[C@H](NC[C@H]1C[C@]3(CC[NH2+]C3)CO1)CCO2 ZINC000903786990 736166856 /nfs/dbraw/zinc/16/68/56/736166856.db2.gz SNMMTZKTAKQWMW-UNEWFSDZSA-N 1 3 367.287 2.631 20 0 FFADHO C[C@@H]1C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)CN1Cc1ccccc1 ZINC000757542205 736409051 /nfs/dbraw/zinc/40/90/51/736409051.db2.gz NLOCYJMPEVBEHP-AEFFLSMTSA-N 1 3 362.587 2.701 20 0 FFADHO Cc1nc(C2CCC2)sc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000912305420 737289510 /nfs/dbraw/zinc/28/95/10/737289510.db2.gz YQOTXYMWZNAAMZ-AWEZNQCLSA-N 1 3 366.575 2.650 20 0 FFADHO Cc1nc(C2CCC2)sc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000912305420 737289515 /nfs/dbraw/zinc/28/95/15/737289515.db2.gz YQOTXYMWZNAAMZ-AWEZNQCLSA-N 1 3 366.575 2.650 20 0 FFADHO C[NH+]1CCN(c2cc(CN[C@H]3CCc4ccc(Cl)nc43)ccn2)CC1 ZINC000788538019 739256109 /nfs/dbraw/zinc/25/61/09/739256109.db2.gz DDZPOCBAYGAUOY-INIZCTEOSA-N 1 3 357.889 2.659 20 0 FFADHO CN1CCN(c2cc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)ccn2)CC1 ZINC000788538019 739256112 /nfs/dbraw/zinc/25/61/12/739256112.db2.gz DDZPOCBAYGAUOY-INIZCTEOSA-N 1 3 357.889 2.659 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C[C@]2(C)C1 ZINC000933744605 739683792 /nfs/dbraw/zinc/68/37/92/739683792.db2.gz IBCPNTZGBZJUBT-IFIJOSMWSA-N 1 3 359.297 2.617 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C[C@]2(C)C1 ZINC000933744605 739683795 /nfs/dbraw/zinc/68/37/95/739683795.db2.gz IBCPNTZGBZJUBT-IFIJOSMWSA-N 1 3 359.297 2.617 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cccc(Br)c1 ZINC000800496851 740528349 /nfs/dbraw/zinc/52/83/49/740528349.db2.gz ZPBVAEBFKACXMN-KRWDZBQOSA-N 1 3 353.304 2.947 20 0 FFADHO CCN(Cc1ccns1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000957716116 740553872 /nfs/dbraw/zinc/55/38/72/740553872.db2.gz UWVGSEVAWLCPKD-CRAIPNDOSA-N 1 3 364.559 2.544 20 0 FFADHO CCN(Cc1ccns1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000957716116 740553874 /nfs/dbraw/zinc/55/38/74/740553874.db2.gz UWVGSEVAWLCPKD-CRAIPNDOSA-N 1 3 364.559 2.544 20 0 FFADHO C[N@H+](C[C@H](O)CN1CCC[C@@H]1Cc1ccc(Br)cc1)C1CC1 ZINC000809936978 741363836 /nfs/dbraw/zinc/36/38/36/741363836.db2.gz SVBIPPOSKMELBQ-MSOLQXFVSA-N 1 3 367.331 2.911 20 0 FFADHO C[N@@H+](C[C@H](O)CN1CCC[C@@H]1Cc1ccc(Br)cc1)C1CC1 ZINC000809936978 741363839 /nfs/dbraw/zinc/36/38/39/741363839.db2.gz SVBIPPOSKMELBQ-MSOLQXFVSA-N 1 3 367.331 2.911 20 0 FFADHO Cc1nsc(C)c1CN(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985439855 741396561 /nfs/dbraw/zinc/39/65/61/741396561.db2.gz BRJVTUMHRZLSSE-RHSMWYFYSA-N 1 3 364.559 2.523 20 0 FFADHO Cc1nsc(C)c1CN(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000985439855 741396562 /nfs/dbraw/zinc/39/65/62/741396562.db2.gz BRJVTUMHRZLSSE-RHSMWYFYSA-N 1 3 364.559 2.523 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000812915803 741661907 /nfs/dbraw/zinc/66/19/07/741661907.db2.gz LPSGLRHXRMIDDT-LJQANCHMSA-N 1 3 351.466 2.778 20 0 FFADHO O[C@H](CNC1(Cc2ccc(F)cc2Cl)CCOCC1)C[NH+]1CCCC1 ZINC000815219335 741913888 /nfs/dbraw/zinc/91/38/88/741913888.db2.gz YXIIUIBMHNRNLJ-QGZVFWFLSA-N 1 3 370.896 2.617 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC000998790677 742045529 /nfs/dbraw/zinc/04/55/29/742045529.db2.gz BUNZVXXXXCFFQK-TWRYWWQQSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC000998790677 742045533 /nfs/dbraw/zinc/04/55/33/742045533.db2.gz BUNZVXXXXCFFQK-TWRYWWQQSA-N 1 3 367.896 2.898 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000818973086 742318339 /nfs/dbraw/zinc/31/83/39/742318339.db2.gz QNPOSYXAJVBSBH-BDJLRTHQSA-N 1 3 357.267 2.696 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC[C@H](O)c2c(F)cccc2F)c1 ZINC000819010574 742324702 /nfs/dbraw/zinc/32/47/02/742324702.db2.gz DOJSZBWVAFBKGJ-SFHVURJKSA-N 1 3 350.409 2.728 20 0 FFADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)c2ccc(Br)cc2F)CC[N@@H+]1C ZINC000819101908 742337242 /nfs/dbraw/zinc/33/72/42/742337242.db2.gz BAPNHOBXXRPLMG-PVXIVEMSSA-N 1 3 359.283 2.868 20 0 FFADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)c2ccc(Br)cc2F)CC[N@H+]1C ZINC000819101908 742337248 /nfs/dbraw/zinc/33/72/48/742337248.db2.gz BAPNHOBXXRPLMG-PVXIVEMSSA-N 1 3 359.283 2.868 20 0 FFADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)ccn1 ZINC000819195820 742351930 /nfs/dbraw/zinc/35/19/30/742351930.db2.gz KOGKJTFBMZZPJM-QGZVFWFLSA-N 1 3 367.852 2.638 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC001045043873 743245360 /nfs/dbraw/zinc/24/53/60/743245360.db2.gz QESIOSUAIHBFFY-XOKHGSTOSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cc(Cl)ccc2F)CC[N@H+]1C ZINC001045043873 743245364 /nfs/dbraw/zinc/24/53/64/743245364.db2.gz QESIOSUAIHBFFY-XOKHGSTOSA-N 1 3 367.896 2.900 20 0 FFADHO COCCN(CCOC)C1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000829755647 745255186 /nfs/dbraw/zinc/25/51/86/745255186.db2.gz UFXLLDJMEQLTGE-HNNXBMFYSA-N 1 3 353.334 2.630 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000831875777 745597969 /nfs/dbraw/zinc/59/79/69/745597969.db2.gz BJZGXDOZUKLAON-BBRMVZONSA-N 1 3 352.910 2.622 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000844176471 747983682 /nfs/dbraw/zinc/98/36/82/747983682.db2.gz SZWGTVCVSXZJAS-MRXNPFEDSA-N 1 3 352.910 2.766 20 0 FFADHO ClC1(Cl)C[C@@H]1CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763210 749948042 /nfs/dbraw/zinc/94/80/42/749948042.db2.gz LFADXVWHXVDRRK-KGLIPLIRSA-N 1 3 372.344 2.583 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1c(F)cccc1F ZINC000853464530 750065930 /nfs/dbraw/zinc/06/59/30/750065930.db2.gz WLCLFNHVUBVCMK-KBPBESRZSA-N 1 3 356.461 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1c(F)cccc1F ZINC000853464530 750065935 /nfs/dbraw/zinc/06/59/35/750065935.db2.gz WLCLFNHVUBVCMK-KBPBESRZSA-N 1 3 356.461 2.597 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ncccc3C)C[C@H]2C1 ZINC001087986245 971665828 /nfs/dbraw/zinc/66/58/28/971665828.db2.gz CCSZIYQGFPWYHD-SVFBPWRDSA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ncccc3C)C[C@H]2C1 ZINC001087986245 971665831 /nfs/dbraw/zinc/66/58/31/971665831.db2.gz CCSZIYQGFPWYHD-SVFBPWRDSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(-c2nncnn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000652034809 971768751 /nfs/dbraw/zinc/76/87/51/971768751.db2.gz DKFBAITXLVKUOS-LAUBAEHRSA-N 1 3 374.492 2.934 20 0 FFADHO c1ccc2c(c1)CCN(CCC[NH2+]C1CCN(C[C@@H]3CCCO3)CC1)C2 ZINC000655696452 961097314 /nfs/dbraw/zinc/09/73/14/961097314.db2.gz PUOKLGQLCMLNDW-QFIPXVFZSA-N 1 3 357.542 2.668 20 0 FFADHO c1ccc(CN2CCC[C@H](C[NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000655703814 961115768 /nfs/dbraw/zinc/11/57/68/961115768.db2.gz VYOVATYSEDBHPL-IRLDBZIGSA-N 1 3 357.542 2.742 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC=C(Cl)Cl ZINC001104294174 962376146 /nfs/dbraw/zinc/37/61/46/962376146.db2.gz AGRHXZHNABYREM-ZIAGYGMSSA-N 1 3 362.345 2.864 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccccc2O1 ZINC000649347395 1013364349 /nfs/dbraw/zinc/36/43/49/1013364349.db2.gz VBQSAOWHDMPRGX-ROUUACIJSA-N 1 3 353.466 2.822 20 0 FFADHO CCn1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1=O ZINC000683931205 962743281 /nfs/dbraw/zinc/74/32/81/962743281.db2.gz VTRUWRQXKPGEFX-UHFFFAOYSA-N 1 3 355.482 2.633 20 0 FFADHO COc1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001087135237 963080836 /nfs/dbraw/zinc/08/08/36/963080836.db2.gz XDQUIINDPCZCMA-KPFFTGBYSA-N 1 3 359.514 2.506 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccsc2)C1)N(C)C ZINC001104319100 963264791 /nfs/dbraw/zinc/26/47/91/963264791.db2.gz CHTBXOJIYLTJLH-NXHRZFHOSA-N 1 3 351.560 2.909 20 0 FFADHO C[NH+](C)CCn1ncc(-c2nc([C@@H]3CCCN3)no2)c1-c1ccccc1 ZINC000647144742 963530847 /nfs/dbraw/zinc/53/08/47/963530847.db2.gz FJQOENLHARITCH-INIZCTEOSA-N 1 3 352.442 2.586 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC000960642235 1013437285 /nfs/dbraw/zinc/43/72/85/1013437285.db2.gz OOZMHZWHXMUFRJ-LSTHTHJFSA-N 1 3 361.505 2.919 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(CF)cc2)CC[N@H+]1C ZINC000960642235 1013437294 /nfs/dbraw/zinc/43/72/94/1013437294.db2.gz OOZMHZWHXMUFRJ-LSTHTHJFSA-N 1 3 361.505 2.919 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)c2)nn1 ZINC000873242587 1013442585 /nfs/dbraw/zinc/44/25/85/1013442585.db2.gz BVLKZIBLELOTJH-PKOBYXMFSA-N 1 3 362.481 2.937 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccnc2C)C1 ZINC001104362822 964086386 /nfs/dbraw/zinc/08/63/86/964086386.db2.gz LORYGVGYVSVHBS-VQIMIIECSA-N 1 3 360.546 2.695 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC[C@@H]2CCOC2)C1 ZINC001104362834 964086774 /nfs/dbraw/zinc/08/67/74/964086774.db2.gz MEQAVGFAVFRVGM-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO CCO[C@H](C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C)C1CC1 ZINC001104362641 964088214 /nfs/dbraw/zinc/08/82/14/964088214.db2.gz BBDMWLATUJXHAA-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1 ZINC000664424743 964319978 /nfs/dbraw/zinc/31/99/78/964319978.db2.gz FAZIQWZTDUYSJA-SFHVURJKSA-N 1 3 373.545 2.743 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1 ZINC000664424743 964319989 /nfs/dbraw/zinc/31/99/89/964319989.db2.gz FAZIQWZTDUYSJA-SFHVURJKSA-N 1 3 373.545 2.743 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000664608894 964764158 /nfs/dbraw/zinc/76/41/58/964764158.db2.gz QCSYDKHHYGTZLO-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000664608894 964764167 /nfs/dbraw/zinc/76/41/67/964764167.db2.gz QCSYDKHHYGTZLO-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000664674501 964922627 /nfs/dbraw/zinc/92/26/27/964922627.db2.gz QWRRUJLHVMZUEV-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000664674501 964922636 /nfs/dbraw/zinc/92/26/36/964922636.db2.gz QWRRUJLHVMZUEV-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000664956443 966128926 /nfs/dbraw/zinc/12/89/26/966128926.db2.gz PWSXJCDPTJKMMY-IEZWGBDMSA-N 1 3 364.509 2.643 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000664956443 966128934 /nfs/dbraw/zinc/12/89/34/966128934.db2.gz PWSXJCDPTJKMMY-IEZWGBDMSA-N 1 3 364.509 2.643 20 0 FFADHO Cc1cncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001087212697 966578503 /nfs/dbraw/zinc/57/85/03/966578503.db2.gz MSUGLNZYHZYWHT-KPFFTGBYSA-N 1 3 358.530 2.591 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001087219937 966758840 /nfs/dbraw/zinc/75/88/40/966758840.db2.gz WUEZVDSUOWVVHB-UZLBHIALSA-N 1 3 354.498 2.932 20 0 FFADHO COc1cc(C)c(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1OC ZINC000657594689 966940447 /nfs/dbraw/zinc/94/04/47/966940447.db2.gz KKANVFZJCJQMJS-FQEVSTJZSA-N 1 3 370.493 2.869 20 0 FFADHO COc1cc(C)c(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OC ZINC000657594689 966940453 /nfs/dbraw/zinc/94/04/53/966940453.db2.gz KKANVFZJCJQMJS-FQEVSTJZSA-N 1 3 370.493 2.869 20 0 FFADHO CC(C)N(C)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657596210 966942189 /nfs/dbraw/zinc/94/21/89/966942189.db2.gz MHENVFORMDXXIU-NRFANRHFSA-N 1 3 368.525 2.783 20 0 FFADHO CC(C)N(C)c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657596210 966942193 /nfs/dbraw/zinc/94/21/93/966942193.db2.gz MHENVFORMDXXIU-NRFANRHFSA-N 1 3 368.525 2.783 20 0 FFADHO c1ccc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@H]3C2)nc1 ZINC001167989380 967069091 /nfs/dbraw/zinc/06/90/91/967069091.db2.gz ZCZANLIEKSKUDH-RTVHVFRHSA-N 1 3 366.553 2.851 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)cc1 ZINC001112536137 967265692 /nfs/dbraw/zinc/26/56/92/967265692.db2.gz SAIANWSRYXLEQB-UGKGYDQZSA-N 1 3 366.509 2.722 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707869 967555665 /nfs/dbraw/zinc/55/56/65/967555665.db2.gz OQQZEDBUXGLLPY-HQRMLTQVSA-N 1 3 355.482 2.962 20 0 FFADHO Cc1cc(F)ccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377895 967758775 /nfs/dbraw/zinc/75/87/75/967758775.db2.gz WZOQENJZSBXYAD-FUHIMQAGSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(F)ccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023377895 967758782 /nfs/dbraw/zinc/75/87/82/967758782.db2.gz WZOQENJZSBXYAD-FUHIMQAGSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC001023377897 967758982 /nfs/dbraw/zinc/75/89/82/967758982.db2.gz XCRSQLQMXUOGKI-BHIYHBOVSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC001023377897 967758987 /nfs/dbraw/zinc/75/89/87/967758987.db2.gz XCRSQLQMXUOGKI-BHIYHBOVSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1N1CCCC1 ZINC000665231652 967783924 /nfs/dbraw/zinc/78/39/24/967783924.db2.gz UIQQQIFFGQIYKT-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1N1CCCC1 ZINC000665231652 967783931 /nfs/dbraw/zinc/78/39/31/967783931.db2.gz UIQQQIFFGQIYKT-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000665285835 968004862 /nfs/dbraw/zinc/00/48/62/968004862.db2.gz YDTHODKSSGECSL-KAOXLYBCSA-N 1 3 370.585 2.703 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000657918536 968340022 /nfs/dbraw/zinc/34/00/22/968340022.db2.gz LGWCWGJNZHWWQH-UHFFFAOYSA-N 1 3 365.468 2.690 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001087640770 968477171 /nfs/dbraw/zinc/47/71/71/968477171.db2.gz WHXVAAKGFLZZGA-JKSUJKDBSA-N 1 3 355.473 2.629 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC1CC(F)(F)C1 ZINC001087640770 968477172 /nfs/dbraw/zinc/47/71/72/968477172.db2.gz WHXVAAKGFLZZGA-JKSUJKDBSA-N 1 3 355.473 2.629 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CCc1cccs1 ZINC001087640845 968478792 /nfs/dbraw/zinc/47/87/92/968478792.db2.gz ZYLNEFFGSLGWFE-ZWKOTPCHSA-N 1 3 361.555 2.888 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CCc1cccs1 ZINC001087640845 968478796 /nfs/dbraw/zinc/47/87/96/968478796.db2.gz ZYLNEFFGSLGWFE-ZWKOTPCHSA-N 1 3 361.555 2.888 20 0 FFADHO COc1cccc(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)n1 ZINC000658166749 968565539 /nfs/dbraw/zinc/56/55/39/968565539.db2.gz OKYCQPRPIUYUML-KRWDZBQOSA-N 1 3 354.498 2.918 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ncccc1C ZINC001087750070 968894437 /nfs/dbraw/zinc/89/44/37/968894437.db2.gz QKMFICUFHQCGFO-AZUAARDMSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1cc(C)ccc1OC ZINC001087797776 969107164 /nfs/dbraw/zinc/10/71/64/969107164.db2.gz IGAJDPNIILVWTG-RBUKOAKNSA-N 1 3 371.525 2.569 20 0 FFADHO COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1OCc1ccccc1 ZINC000647493284 969251242 /nfs/dbraw/zinc/25/12/42/969251242.db2.gz ZELWOHSGVNNDRQ-UHFFFAOYSA-N 1 3 369.509 2.611 20 0 FFADHO c1cc(-c2noc([C@@H]3CN4CCC[C@@H]4CO3)n2)ccc1C[NH+]1CCCC1 ZINC000923781929 969325671 /nfs/dbraw/zinc/32/56/71/969325671.db2.gz FCSSMAXJLMVOGT-MSOLQXFVSA-N 1 3 354.454 2.868 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC000892530469 969375859 /nfs/dbraw/zinc/37/58/59/969375859.db2.gz OYKFBGDCGTULBJ-FQEVSTJZSA-N 1 3 358.530 2.600 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659033464 969644443 /nfs/dbraw/zinc/64/44/43/969644443.db2.gz VTHZRKIGJGJRMW-FQEVSTJZSA-N 1 3 374.529 2.932 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659033464 969644449 /nfs/dbraw/zinc/64/44/49/969644449.db2.gz VTHZRKIGJGJRMW-FQEVSTJZSA-N 1 3 374.529 2.932 20 0 FFADHO CCC[NH+](CCC)CCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033271 969650546 /nfs/dbraw/zinc/65/05/46/969650546.db2.gz VOLHXYCDKVIKER-LJQANCHMSA-N 1 3 362.518 2.981 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659035288 969652634 /nfs/dbraw/zinc/65/26/34/969652634.db2.gz JBKOKVKHKZVBNN-IBGZPJMESA-N 1 3 360.502 2.734 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659036959 969654212 /nfs/dbraw/zinc/65/42/12/969654212.db2.gz UCTOSGDWXFVIMG-LJQANCHMSA-N 1 3 360.502 2.686 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)C2)CC1 ZINC000659037514 969655469 /nfs/dbraw/zinc/65/54/69/969655469.db2.gz ICGQORRRYCKSHT-AZUAARDMSA-N 1 3 372.513 2.543 20 0 FFADHO Fc1cccc(COc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000647541168 969673742 /nfs/dbraw/zinc/67/37/42/969673742.db2.gz DLMDCHJGQYBBSV-NRFANRHFSA-N 1 3 369.484 2.884 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000659426112 969916424 /nfs/dbraw/zinc/91/64/24/969916424.db2.gz VGPFQGGNOPZONX-WOJBJXKFSA-N 1 3 358.530 2.711 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000659425047 969916705 /nfs/dbraw/zinc/91/67/05/969916705.db2.gz IAKCKHJAAWENDX-NJDAHSKKSA-N 1 3 366.509 2.734 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659476430 969963991 /nfs/dbraw/zinc/96/39/91/969963991.db2.gz BDVQBOJMANFENK-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659486323 969977914 /nfs/dbraw/zinc/97/79/14/969977914.db2.gz DXIRIIYUBOTIBV-UFYCRDLUSA-N 1 3 374.504 2.587 20 0 FFADHO CC(C)CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676478 970083918 /nfs/dbraw/zinc/08/39/18/970083918.db2.gz LTPPYEOSEVLIHZ-HSALFYBXSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC=C(Cl)Cl ZINC001104676384 970084873 /nfs/dbraw/zinc/08/48/73/970084873.db2.gz HSEUMAZMDJTDFA-QLFBSQMISA-N 1 3 362.345 2.864 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cs1 ZINC001104679091 970088054 /nfs/dbraw/zinc/08/80/54/970088054.db2.gz GARZUTFWPUPEDQ-GPMSIDNRSA-N 1 3 363.571 2.973 20 0 FFADHO Cc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001104680706 970091386 /nfs/dbraw/zinc/09/13/86/970091386.db2.gz VMSGUGDNBLDDCV-QKNQBKEWSA-N 1 3 357.542 2.911 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1CC[NH2+]CCCF ZINC001104681811 970093216 /nfs/dbraw/zinc/09/32/16/970093216.db2.gz QBIFOGHMRHGXKY-GPMSIDNRSA-N 1 3 359.505 2.633 20 0 FFADHO Cc1cccc(CCC[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001104729333 970182191 /nfs/dbraw/zinc/18/21/91/970182191.db2.gz SQVWAEOXLKTOPK-UYAOXDASSA-N 1 3 368.525 2.968 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892875129 970343537 /nfs/dbraw/zinc/34/35/37/970343537.db2.gz CRKXYJFCTTWIDI-RBUKOAKNSA-N 1 3 366.477 2.740 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000892919529 970372995 /nfs/dbraw/zinc/37/29/95/970372995.db2.gz RJEIRMKCTJRWSV-UHFFFAOYSA-N 1 3 368.472 2.652 20 0 FFADHO CC[C@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025794059 970423120 /nfs/dbraw/zinc/42/31/20/970423120.db2.gz RBURJUBZXWBPOO-FAQOMCGWSA-N 1 3 359.489 2.663 20 0 FFADHO CC[C@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025794059 970423126 /nfs/dbraw/zinc/42/31/26/970423126.db2.gz RBURJUBZXWBPOO-FAQOMCGWSA-N 1 3 359.489 2.663 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1CCc1c(F)cccc1F ZINC001087829589 970477735 /nfs/dbraw/zinc/47/77/35/970477735.db2.gz MCGIFHJNQADIQM-RBUKOAKNSA-N 1 3 365.468 2.572 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1CCc1c(F)cccc1F ZINC001087829589 970477744 /nfs/dbraw/zinc/47/77/44/970477744.db2.gz MCGIFHJNQADIQM-RBUKOAKNSA-N 1 3 365.468 2.572 20 0 FFADHO COCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524572 972817811 /nfs/dbraw/zinc/81/78/11/972817811.db2.gz WCZUSGNYCIONKL-ZVDOUQERSA-N 1 3 367.578 2.608 20 0 FFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106684 972825109 /nfs/dbraw/zinc/82/51/09/972825109.db2.gz MEEMHVPQFDDHFI-UWVAXJGDSA-N 1 3 353.526 2.779 20 0 FFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106684 972825119 /nfs/dbraw/zinc/82/51/19/972825119.db2.gz MEEMHVPQFDDHFI-UWVAXJGDSA-N 1 3 353.526 2.779 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001088130060 972977650 /nfs/dbraw/zinc/97/76/50/972977650.db2.gz UHZGMRUAJXVTAP-BZIZVJOOSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088141788 973072072 /nfs/dbraw/zinc/07/20/72/973072072.db2.gz CFBFEUROSUQKIB-AABGKKOBSA-N 1 3 361.505 2.890 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CCNCc2cnoc2C)CC[N@@H+]1C ZINC001271534506 973843167 /nfs/dbraw/zinc/84/31/67/973843167.db2.gz JXMFNPDIIYMCMO-GBESFXJTSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CCNCc2cnoc2C)CC[N@H+]1C ZINC001271534506 973843176 /nfs/dbraw/zinc/84/31/76/973843176.db2.gz JXMFNPDIIYMCMO-GBESFXJTSA-N 1 3 362.518 2.574 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000665763906 974092580 /nfs/dbraw/zinc/09/25/80/974092580.db2.gz OLLOBKKEIQRFGB-WMZOPIPTSA-N 1 3 362.518 2.788 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000665763906 974092586 /nfs/dbraw/zinc/09/25/86/974092586.db2.gz OLLOBKKEIQRFGB-WMZOPIPTSA-N 1 3 362.518 2.788 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000665759810 974093373 /nfs/dbraw/zinc/09/33/73/974093373.db2.gz PZDAOSPCDDZMFQ-FUHWJXTLSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000665759810 974093382 /nfs/dbraw/zinc/09/33/82/974093382.db2.gz PZDAOSPCDDZMFQ-FUHWJXTLSA-N 1 3 364.509 2.597 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000661398818 974223516 /nfs/dbraw/zinc/22/35/16/974223516.db2.gz QTISXAFILVBTIV-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000661398818 974223522 /nfs/dbraw/zinc/22/35/22/974223522.db2.gz QTISXAFILVBTIV-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027416880 974395077 /nfs/dbraw/zinc/39/50/77/974395077.db2.gz OFKQAUOWYDPLKB-LSTHTHJFSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027416880 974395082 /nfs/dbraw/zinc/39/50/82/974395082.db2.gz OFKQAUOWYDPLKB-LSTHTHJFSA-N 1 3 361.505 2.897 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000652174166 974672123 /nfs/dbraw/zinc/67/21/23/974672123.db2.gz KXHGWTNKNWFMKE-PMACEKPBSA-N 1 3 352.482 2.651 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000661856039 974877968 /nfs/dbraw/zinc/87/79/68/974877968.db2.gz DJGPDDPYUXALAC-AZUAARDMSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000661856039 974877976 /nfs/dbraw/zinc/87/79/76/974877976.db2.gz DJGPDDPYUXALAC-AZUAARDMSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346332 974942449 /nfs/dbraw/zinc/94/24/49/974942449.db2.gz YYSUEKTXKDLUEN-WQZMEWCLSA-N 1 3 371.525 2.573 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN([C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC000652352685 974973797 /nfs/dbraw/zinc/97/37/97/974973797.db2.gz MZTBZOWTJYTHSG-CVAIRZPRSA-N 1 3 363.452 2.517 20 0 FFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361132 974992686 /nfs/dbraw/zinc/99/26/86/974992686.db2.gz YNZVNRLVPMOHCW-PWRODBHTSA-N 1 3 373.541 2.784 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[N@H+](C)CC(C)C)cc2)CC1 ZINC000652522756 975189493 /nfs/dbraw/zinc/18/94/93/975189493.db2.gz VMPMGIILHPUEGW-UHFFFAOYSA-N 1 3 360.546 2.536 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[N@@H+](C)CC(C)C)cc2)CC1 ZINC000652522756 975189495 /nfs/dbraw/zinc/18/94/95/975189495.db2.gz VMPMGIILHPUEGW-UHFFFAOYSA-N 1 3 360.546 2.536 20 0 FFADHO Cc1nccn1CCCN1CC[N@@H+](CCCn2ccnc2C)[C@H](C)[C@H]1C ZINC000662221536 975361450 /nfs/dbraw/zinc/36/14/50/975361450.db2.gz APWUFEGDIDCBAD-QZTJIDSGSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1CC[N@H+](CCCn2ccnc2C)[C@H](C)[C@H]1C ZINC000662221536 975361457 /nfs/dbraw/zinc/36/14/57/975361457.db2.gz APWUFEGDIDCBAD-QZTJIDSGSA-N 1 3 358.534 2.571 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCc3ccccc3)C2)C1 ZINC001112530038 975371762 /nfs/dbraw/zinc/37/17/62/975371762.db2.gz ZYOQGWSJBAGOFW-NWSQWKLXSA-N 1 3 369.553 2.789 20 0 FFADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662275879 975395251 /nfs/dbraw/zinc/39/52/51/975395251.db2.gz BWLPVOBFLPDFTO-SFHVURJKSA-N 1 3 371.447 2.590 20 0 FFADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662275879 975395261 /nfs/dbraw/zinc/39/52/61/975395261.db2.gz BWLPVOBFLPDFTO-SFHVURJKSA-N 1 3 371.447 2.590 20 0 FFADHO COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297812 975411155 /nfs/dbraw/zinc/41/11/55/975411155.db2.gz SGIUQCBWLZXFFL-AEFFLSMTSA-N 1 3 359.514 2.584 20 0 FFADHO C[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCCCO3)[C@@H]1CCC[NH3+] ZINC000662312772 975424466 /nfs/dbraw/zinc/42/44/66/975424466.db2.gz DTEMGUMYDJIGCM-NVXWUHKLSA-N 1 3 361.486 2.626 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662445503 975547033 /nfs/dbraw/zinc/54/70/33/975547033.db2.gz RSHOQKWWWPROAU-UHFFFAOYSA-N 1 3 373.522 2.654 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc2c1CNC2 ZINC000662504458 975659046 /nfs/dbraw/zinc/65/90/46/975659046.db2.gz HIKNLIQKQPJZGR-UHFFFAOYSA-N 1 3 359.420 2.772 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662673490 975806126 /nfs/dbraw/zinc/80/61/26/975806126.db2.gz LLHTXCIZUWHYBV-GOSISDBHSA-N 1 3 369.431 2.571 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662670575 975810502 /nfs/dbraw/zinc/81/05/02/975810502.db2.gz WXQRQSBKYRQILX-GOSISDBHSA-N 1 3 353.470 2.713 20 0 FFADHO CN1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000667119131 975852723 /nfs/dbraw/zinc/85/27/23/975852723.db2.gz JVYBHWYQEGJVTQ-FQEVSTJZSA-N 1 3 370.541 2.636 20 0 FFADHO CN1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000667119131 975852733 /nfs/dbraw/zinc/85/27/33/975852733.db2.gz JVYBHWYQEGJVTQ-FQEVSTJZSA-N 1 3 370.541 2.636 20 0 FFADHO C[C@H](F)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531819 975965187 /nfs/dbraw/zinc/96/51/87/975965187.db2.gz RZIJGVKRLSQXEP-ZWOKBUDYSA-N 1 3 355.542 2.931 20 0 FFADHO CCN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCN(C)C1 ZINC000663515921 976100039 /nfs/dbraw/zinc/10/00/39/976100039.db2.gz LOEPWXNDJVIYIS-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001087433265 976258649 /nfs/dbraw/zinc/25/86/49/976258649.db2.gz HJWKCAKVEXSUPY-NJDAHSKKSA-N 1 3 355.526 2.855 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000876708696 1014358909 /nfs/dbraw/zinc/35/89/09/1014358909.db2.gz YDEODEKQZZPODY-KRWDZBQOSA-N 1 3 372.538 2.951 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cnc3c(c2)CNCC3)cc1 ZINC000667792374 977036312 /nfs/dbraw/zinc/03/63/12/977036312.db2.gz XEIJVROSGOCCJX-UHFFFAOYSA-N 1 3 367.497 2.891 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663785785 977349322 /nfs/dbraw/zinc/34/93/22/977349322.db2.gz ZKFOUAOSFJEMMQ-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663785785 977349326 /nfs/dbraw/zinc/34/93/26/977349326.db2.gz ZKFOUAOSFJEMMQ-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)/C=C\[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000876780641 1014389511 /nfs/dbraw/zinc/38/95/11/1014389511.db2.gz XMMXEPUYRLCNOI-KKMIYCERSA-N 1 3 356.514 2.631 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[NH+]3CCCCC3)c2)CC1 ZINC000650132835 1014394466 /nfs/dbraw/zinc/39/44/66/1014394466.db2.gz JYTCAICQPJUBJP-UHFFFAOYSA-N 1 3 373.545 2.778 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(Cl)ccc1F ZINC001481812028 977684977 /nfs/dbraw/zinc/68/49/77/977684977.db2.gz FRAXLZHXDMUBHV-UHOFOFEASA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(Cl)ccc1F ZINC001481812028 977684981 /nfs/dbraw/zinc/68/49/81/977684981.db2.gz FRAXLZHXDMUBHV-UHOFOFEASA-N 1 3 355.885 2.804 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000877012391 1014449300 /nfs/dbraw/zinc/44/93/00/1014449300.db2.gz SDYDMAFVYMGFHU-SYYKKAFVSA-N 1 3 356.558 2.580 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001076161440 979177526 /nfs/dbraw/zinc/17/75/26/979177526.db2.gz NMQNKAAJMTVMOR-PWRODBHTSA-N 1 3 355.526 2.841 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001076161440 979177533 /nfs/dbraw/zinc/17/75/33/979177533.db2.gz NMQNKAAJMTVMOR-PWRODBHTSA-N 1 3 355.526 2.841 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000654062765 1014558122 /nfs/dbraw/zinc/55/81/22/1014558122.db2.gz BZXPRBZVFSMGJG-FGTMMUONSA-N 1 3 365.468 2.600 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c1 ZINC001076242398 979274050 /nfs/dbraw/zinc/27/40/50/979274050.db2.gz CIQUAROKBLAQDL-DZFGPLHGSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c1 ZINC001076242398 979274059 /nfs/dbraw/zinc/27/40/59/979274059.db2.gz CIQUAROKBLAQDL-DZFGPLHGSA-N 1 3 355.526 2.624 20 0 FFADHO COc1ccccc1OCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643456402 979742649 /nfs/dbraw/zinc/74/26/49/979742649.db2.gz RAAUIYSAQBFXBR-DYESRHJHSA-N 1 3 354.450 2.920 20 0 FFADHO Cc1cncc(CN2CCCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000968866375 1014601780 /nfs/dbraw/zinc/60/17/80/1014601780.db2.gz GRSHZWITFSSJAX-YZGWKJHDSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cncc(CN2CCCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000968866375 1014601791 /nfs/dbraw/zinc/60/17/91/1014601791.db2.gz GRSHZWITFSSJAX-YZGWKJHDSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)[C@@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001272020781 979863758 /nfs/dbraw/zinc/86/37/58/979863758.db2.gz PQZVKIJWIANCTM-DFQSSKMNSA-N 1 3 361.505 2.934 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)[C@@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001272020781 979863764 /nfs/dbraw/zinc/86/37/64/979863764.db2.gz PQZVKIJWIANCTM-DFQSSKMNSA-N 1 3 361.505 2.934 20 0 FFADHO Cc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)n1 ZINC001211915317 980868735 /nfs/dbraw/zinc/86/87/35/980868735.db2.gz GZYFTFIJBKKICR-KRWDZBQOSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)n1 ZINC001211915317 980868740 /nfs/dbraw/zinc/86/87/40/980868740.db2.gz GZYFTFIJBKKICR-KRWDZBQOSA-N 1 3 361.449 2.629 20 0 FFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000648499200 980933367 /nfs/dbraw/zinc/93/33/67/980933367.db2.gz OYCHQKVERBWYGF-VQTJNVASSA-N 1 3 359.514 2.559 20 0 FFADHO CC1CCC([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)CC1 ZINC001168196695 981044416 /nfs/dbraw/zinc/04/44/16/981044416.db2.gz MIYDWADQDAARAT-UUKMXZOPSA-N 1 3 357.542 2.970 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000843785835 981078515 /nfs/dbraw/zinc/07/85/15/981078515.db2.gz SJEAXJFIQSDTPV-UHFFFAOYSA-N 1 3 373.541 2.742 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000668562651 981105845 /nfs/dbraw/zinc/10/58/45/981105845.db2.gz KGKDEPXTMWBCSQ-VAMGGRTRSA-N 1 3 358.530 2.711 20 0 FFADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000643480230 981298363 /nfs/dbraw/zinc/29/83/63/981298363.db2.gz JYZVNFCKATUKDZ-SGCGGLILSA-N 1 3 357.542 2.644 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707870 1014746598 /nfs/dbraw/zinc/74/65/98/1014746598.db2.gz OQQZEDBUXGLLPY-ILZDJORESA-N 1 3 355.482 2.962 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000650709943 1014746769 /nfs/dbraw/zinc/74/67/69/1014746769.db2.gz YOJYTYGTNDKNSV-MRXNPFEDSA-N 1 3 353.466 2.502 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000650709943 1014746784 /nfs/dbraw/zinc/74/67/84/1014746784.db2.gz YOJYTYGTNDKNSV-MRXNPFEDSA-N 1 3 353.466 2.502 20 0 FFADHO C[NH2+]Cc1ccccc1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000650718263 1014748017 /nfs/dbraw/zinc/74/80/17/1014748017.db2.gz FGBSEGWJUPJELU-UHFFFAOYSA-N 1 3 350.422 2.815 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001168273447 981728540 /nfs/dbraw/zinc/72/85/40/981728540.db2.gz MDUPFSZQBYOWQJ-QNWVGRARSA-N 1 3 370.537 2.985 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001168273447 981728543 /nfs/dbraw/zinc/72/85/43/981728543.db2.gz MDUPFSZQBYOWQJ-QNWVGRARSA-N 1 3 370.537 2.985 20 0 FFADHO COc1ccc2c(c1)C[C@@H](N1C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001168273447 981728544 /nfs/dbraw/zinc/72/85/44/981728544.db2.gz MDUPFSZQBYOWQJ-QNWVGRARSA-N 1 3 370.537 2.985 20 0 FFADHO COc1ccc2c(c1)C[C@@H](N1C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001168273447 981728546 /nfs/dbraw/zinc/72/85/46/981728546.db2.gz MDUPFSZQBYOWQJ-QNWVGRARSA-N 1 3 370.537 2.985 20 0 FFADHO C[C@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483340848 981784701 /nfs/dbraw/zinc/78/47/01/981784701.db2.gz WXEITELGYVVWIL-ZHALLVOQSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483340848 981784706 /nfs/dbraw/zinc/78/47/06/981784706.db2.gz WXEITELGYVVWIL-ZHALLVOQSA-N 1 3 353.551 2.503 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(C4CC[NH+](CC5CC5)CC4)CCN3C2)c1 ZINC001168380889 984374949 /nfs/dbraw/zinc/37/49/49/984374949.db2.gz VDJPJCPKWYVZIB-IFMALSPDSA-N 1 3 373.516 2.837 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000669318371 984434364 /nfs/dbraw/zinc/43/43/64/984434364.db2.gz PKYQCJGCGXGKEG-LKXUXUIPSA-N 1 3 356.514 2.639 20 0 FFADHO O=C(NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1)c1cccc(F)c1 ZINC001168394553 984470872 /nfs/dbraw/zinc/47/08/72/984470872.db2.gz BTSVOGQVMCGSRH-UHFFFAOYSA-N 1 3 359.489 2.894 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCOC)CC2 ZINC001107426990 984527388 /nfs/dbraw/zinc/52/73/88/984527388.db2.gz YCJQBJWEGITPNQ-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCOC)CC2 ZINC001107426990 984527396 /nfs/dbraw/zinc/52/73/96/984527396.db2.gz YCJQBJWEGITPNQ-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000669405677 984535448 /nfs/dbraw/zinc/53/54/48/984535448.db2.gz GACILYUEGIDCNL-YFVAEKQCSA-N 1 3 356.514 2.607 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC1CCC1)CC2)N(C)C ZINC001107533762 984642408 /nfs/dbraw/zinc/64/24/08/984642408.db2.gz FPHDZYWIMOSLQH-SFHLNBCPSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC1CCC1)CC2)N(C)C ZINC001107533762 984642411 /nfs/dbraw/zinc/64/24/11/984642411.db2.gz FPHDZYWIMOSLQH-SFHLNBCPSA-N 1 3 365.562 2.503 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000669483553 984649251 /nfs/dbraw/zinc/64/92/51/984649251.db2.gz BAQLWVYKMUCYLN-HSALFYBXSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000669483847 984651627 /nfs/dbraw/zinc/65/16/27/984651627.db2.gz PEWXKZYZHFHVHJ-CTNGQTDRSA-N 1 3 356.514 2.609 20 0 FFADHO CC[C@@H](C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12)OC ZINC001107552843 984682817 /nfs/dbraw/zinc/68/28/17/984682817.db2.gz UTYAEVZBYCWCPL-WAOWUJCRSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H](C[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12)OC ZINC001107552843 984682825 /nfs/dbraw/zinc/68/28/25/984682825.db2.gz UTYAEVZBYCWCPL-WAOWUJCRSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CC(C)(C)CO1)CC2 ZINC001107582049 984731427 /nfs/dbraw/zinc/73/14/27/984731427.db2.gz UBCAVHWONDBZDU-DBXWQHBBSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H]1CC(C)(C)CO1)CC2 ZINC001107582049 984731436 /nfs/dbraw/zinc/73/14/36/984731436.db2.gz UBCAVHWONDBZDU-DBXWQHBBSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC001107646601 984939589 /nfs/dbraw/zinc/93/95/89/984939589.db2.gz MLKAMOHLMIVHID-WAOWUJCRSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC001107646601 984939600 /nfs/dbraw/zinc/93/96/00/984939600.db2.gz MLKAMOHLMIVHID-WAOWUJCRSA-N 1 3 365.562 2.503 20 0 FFADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000654725214 985344871 /nfs/dbraw/zinc/34/48/71/985344871.db2.gz DOGSHUVKNKUFFJ-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000654725214 985344884 /nfs/dbraw/zinc/34/48/84/985344884.db2.gz DOGSHUVKNKUFFJ-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CCC(C)CC3)[C@H]2C)c(C)n1 ZINC001088939429 985527154 /nfs/dbraw/zinc/52/71/54/985527154.db2.gz PQJWVGIURGYDNN-QUCCMNQESA-N 1 3 358.530 2.509 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCC(C)CC3)[C@H]2C)c(C)n1 ZINC001088939429 985527164 /nfs/dbraw/zinc/52/71/64/985527164.db2.gz PQJWVGIURGYDNN-QUCCMNQESA-N 1 3 358.530 2.509 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cccc(F)c4C3)CC2)CC1 ZINC000654977276 985817578 /nfs/dbraw/zinc/81/75/78/985817578.db2.gz HNXQVQBSSFDAIB-UHFFFAOYSA-N 1 3 373.516 2.907 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403122 986140691 /nfs/dbraw/zinc/14/06/91/986140691.db2.gz CMMXKXADJKUGPG-QHEKZVFSSA-N 1 3 365.562 2.811 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403122 986140697 /nfs/dbraw/zinc/14/06/97/986140697.db2.gz CMMXKXADJKUGPG-QHEKZVFSSA-N 1 3 365.562 2.811 20 0 FFADHO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000878748150 1015197060 /nfs/dbraw/zinc/19/70/60/1015197060.db2.gz RXQDLDMEHFKHKW-UHFFFAOYSA-N 1 3 367.497 2.689 20 0 FFADHO CN(C)c1ccc(NC(=O)CC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000878748150 1015197064 /nfs/dbraw/zinc/19/70/64/1015197064.db2.gz RXQDLDMEHFKHKW-UHFFFAOYSA-N 1 3 367.497 2.689 20 0 FFADHO COCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001112540030 986422906 /nfs/dbraw/zinc/42/29/06/986422906.db2.gz BSWFNVHGIGJOCA-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000913948495 987061224 /nfs/dbraw/zinc/06/12/24/987061224.db2.gz JVMYFISQRCSARM-VQTJNVASSA-N 1 3 369.513 2.677 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)N1 ZINC000646737038 987181781 /nfs/dbraw/zinc/18/17/81/987181781.db2.gz OXONLYSKXJMBPY-KSZLIROESA-N 1 3 359.514 2.762 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)N1 ZINC000646737038 987181788 /nfs/dbraw/zinc/18/17/88/987181788.db2.gz OXONLYSKXJMBPY-KSZLIROESA-N 1 3 359.514 2.762 20 0 FFADHO COC(=O)COc1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000922075382 987620878 /nfs/dbraw/zinc/62/08/78/987620878.db2.gz BNCUNEYGDAHDQO-IBGZPJMESA-N 1 3 368.477 2.850 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000672942823 987685411 /nfs/dbraw/zinc/68/54/11/987685411.db2.gz LRJHHCSYUOTPBK-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001106249196 987758169 /nfs/dbraw/zinc/75/81/69/987758169.db2.gz CDVDEKUGHDLOBJ-ZPMCFJSWSA-N 1 3 371.569 2.816 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2F)[C@H](C)C1 ZINC001106339490 987981821 /nfs/dbraw/zinc/98/18/21/987981821.db2.gz OFYOZGDBCVSOOM-GDBMZVCRSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000762271421 988267787 /nfs/dbraw/zinc/26/77/87/988267787.db2.gz KEOMYALFCQLOQP-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO CCCCc1nc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cs1 ZINC001106623247 988526280 /nfs/dbraw/zinc/52/62/80/988526280.db2.gz OVKMQYWKAULQPJ-HZPDHXFCSA-N 1 3 366.575 2.622 20 0 FFADHO COc1cc2c(cc1CN[C@@H]1C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]1O)O[C@@H](C)C2 ZINC000922386839 988542696 /nfs/dbraw/zinc/54/26/96/988542696.db2.gz JBZKQLOGCSCZAS-WOBFZILMSA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(cc1CN[C@@H]1C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]1O)O[C@@H](C)C2 ZINC000922386839 988542707 /nfs/dbraw/zinc/54/27/07/988542707.db2.gz JBZKQLOGCSCZAS-WOBFZILMSA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(cc1CN[C@@H]1C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]1O)O[C@H](C)C2 ZINC000922386836 988542876 /nfs/dbraw/zinc/54/28/76/988542876.db2.gz JBZKQLOGCSCZAS-OJNQEUHNSA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(cc1CN[C@@H]1C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]1O)O[C@H](C)C2 ZINC000922386836 988542887 /nfs/dbraw/zinc/54/28/87/988542887.db2.gz JBZKQLOGCSCZAS-OJNQEUHNSA-N 1 3 374.525 2.588 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3OC)C2)[C@H]1C(C)C ZINC000922392287 988550868 /nfs/dbraw/zinc/55/08/68/988550868.db2.gz KUNNOTUZIWSNLR-VURPSTOHSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3OC)C2)[C@H]1C(C)C ZINC000922392287 988550874 /nfs/dbraw/zinc/55/08/74/988550874.db2.gz KUNNOTUZIWSNLR-VURPSTOHSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3OC)C2)[C@H]1C(C)C ZINC000922394124 988554827 /nfs/dbraw/zinc/55/48/27/988554827.db2.gz VDQMBKKTDOYUNV-UKAVVXHISA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3OC)C2)[C@H]1C(C)C ZINC000922394124 988554837 /nfs/dbraw/zinc/55/48/37/988554837.db2.gz VDQMBKKTDOYUNV-UKAVVXHISA-N 1 3 362.514 2.663 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001106667884 988614868 /nfs/dbraw/zinc/61/48/68/988614868.db2.gz ATARJOYSUUQTBT-NETTWWFISA-N 1 3 362.345 2.721 20 0 FFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879225006 1015418322 /nfs/dbraw/zinc/41/83/22/1015418322.db2.gz NYXZLRAODAZOQT-QGZVFWFLSA-N 1 3 369.550 2.555 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)NC1CC[NH+](CC2CC2)CC1 ZINC000193697535 988836959 /nfs/dbraw/zinc/83/69/59/988836959.db2.gz PUXJBDQGWLFLCH-UHFFFAOYSA-N 1 3 370.541 2.608 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652176586 1015487855 /nfs/dbraw/zinc/48/78/55/1015487855.db2.gz KZTCEWSMSYWWOR-OAHLLOKOSA-N 1 3 358.461 2.604 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000652174169 1015488119 /nfs/dbraw/zinc/48/81/19/1015488119.db2.gz KXHGWTNKNWFMKE-WOJBJXKFSA-N 1 3 352.482 2.651 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)C[NH+]3CCCC3)cc2)CC1 ZINC000916671250 989894395 /nfs/dbraw/zinc/89/43/95/989894395.db2.gz JVDOYSLZYWNNLP-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO COc1ccc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001034214471 989969094 /nfs/dbraw/zinc/96/90/94/989969094.db2.gz MZLMNKMCWHGIJL-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO COc1ccc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001034214471 989969104 /nfs/dbraw/zinc/96/91/04/989969104.db2.gz MZLMNKMCWHGIJL-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO CN(C(=O)NCCC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000652315650 1015523567 /nfs/dbraw/zinc/52/35/67/1015523567.db2.gz ZZUWNSRWVSLSQG-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652345676 1015533013 /nfs/dbraw/zinc/53/30/13/1015533013.db2.gz IMYPJYRRPYRKHJ-CGBFIWBNSA-N 1 3 359.514 2.646 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346620 1015534848 /nfs/dbraw/zinc/53/48/48/1015534848.db2.gz BMZFVPYRSCGCKY-BURNTYAHSA-N 1 3 373.541 2.814 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000675742355 990368030 /nfs/dbraw/zinc/36/80/30/990368030.db2.gz NKEPYHZRJRBREU-FPOVZHCZSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000130240676 990502929 /nfs/dbraw/zinc/50/29/29/990502929.db2.gz ACJICOHVXCDMKK-YFVAEKQCSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000130240676 990502938 /nfs/dbraw/zinc/50/29/38/990502938.db2.gz ACJICOHVXCDMKK-YFVAEKQCSA-N 1 3 370.541 2.918 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000919775943 990728133 /nfs/dbraw/zinc/72/81/33/990728133.db2.gz BYDCNBNICHEKGP-HXUWFJFHSA-N 1 3 360.546 2.534 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000919775943 990728141 /nfs/dbraw/zinc/72/81/41/990728141.db2.gz BYDCNBNICHEKGP-HXUWFJFHSA-N 1 3 360.546 2.534 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)sc1C ZINC001106898383 990803296 /nfs/dbraw/zinc/80/32/96/990803296.db2.gz FOAWSWIWCWPXCE-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)[C@H](C)C1 ZINC001106907575 991383653 /nfs/dbraw/zinc/38/36/53/991383653.db2.gz SHVFPWRYUQZCRP-JXXFODFXSA-N 1 3 361.505 2.839 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cccc(F)c1 ZINC001079186610 991897406 /nfs/dbraw/zinc/89/74/06/991897406.db2.gz UNTQOTBKYDCYFP-RBUKOAKNSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001079189466 991901495 /nfs/dbraw/zinc/90/14/95/991901495.db2.gz QOXYVNOMQGQCLX-XUVXKRRUSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079311182 992012317 /nfs/dbraw/zinc/01/23/17/992012317.db2.gz SMUSACQONWDUBF-XKGZKEIXSA-N 1 3 361.505 2.850 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037637 992688230 /nfs/dbraw/zinc/68/82/30/992688230.db2.gz PPXRAXJMKGPQPN-BRWVUGGUSA-N 1 3 369.500 2.877 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037637 992688231 /nfs/dbraw/zinc/68/82/31/992688231.db2.gz PPXRAXJMKGPQPN-BRWVUGGUSA-N 1 3 369.500 2.877 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)cc1 ZINC001080192422 992809523 /nfs/dbraw/zinc/80/95/23/992809523.db2.gz KKQZWJLFPBBRHP-UIFIKXQLSA-N 1 3 355.526 2.806 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131583049 994428874 /nfs/dbraw/zinc/42/88/74/994428874.db2.gz MNXGZOCYEBCVKM-POBZOTIWSA-N 1 3 365.562 2.670 20 0 FFADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CCCC2)CC1 ZINC001131596984 994444609 /nfs/dbraw/zinc/44/46/09/994444609.db2.gz FBDIQAWTCGEQOC-CTNGQTDRSA-N 1 3 365.562 2.504 20 0 FFADHO COc1cccc2cc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)oc21 ZINC000809737257 994600489 /nfs/dbraw/zinc/60/04/89/994600489.db2.gz SPSJWRBQOHKKAZ-UHFFFAOYSA-N 1 3 357.498 2.901 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001082575540 994998115 /nfs/dbraw/zinc/99/81/15/994998115.db2.gz LVVOCTRKNUBZCH-UIFIKXQLSA-N 1 3 359.558 2.814 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3ncccc3c2)C1)N(C)C ZINC001082589391 995002255 /nfs/dbraw/zinc/00/22/55/995002255.db2.gz ZLIXZSMYJCGOSV-CDHQVMDDSA-N 1 3 354.498 2.512 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)sn1 ZINC001086694439 995127776 /nfs/dbraw/zinc/12/77/76/995127776.db2.gz SAZUOOMZVJBEDN-LZLYRXPVSA-N 1 3 364.559 2.699 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C(F)F)cc3)C2)C1 ZINC001082742968 995400081 /nfs/dbraw/zinc/40/00/81/995400081.db2.gz YVHMRKKZHVOSJP-IIDMSEBBSA-N 1 3 365.468 2.903 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742567 995400283 /nfs/dbraw/zinc/40/02/83/995400283.db2.gz KGOITKMVBKSPPK-ZSZQSSIHSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742567 995400287 /nfs/dbraw/zinc/40/02/87/995400287.db2.gz KGOITKMVBKSPPK-ZSZQSSIHSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001082742567 995400292 /nfs/dbraw/zinc/40/02/92/995400292.db2.gz KGOITKMVBKSPPK-ZSZQSSIHSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1ccc2c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)cc(=O)oc2c1 ZINC000903507225 1015943877 /nfs/dbraw/zinc/94/38/77/1015943877.db2.gz RZNHYQNOBLQNGQ-KDURUIRLSA-N 1 3 367.493 2.502 20 0 FFADHO Cc1ccc2c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)cc(=O)oc2c1 ZINC000903507225 1015943883 /nfs/dbraw/zinc/94/38/83/1015943883.db2.gz RZNHYQNOBLQNGQ-KDURUIRLSA-N 1 3 367.493 2.502 20 0 FFADHO C[NH+](C)C[C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c2ccccc2O1 ZINC000813057929 995607383 /nfs/dbraw/zinc/60/73/83/995607383.db2.gz ASEJBWQFBBPSSB-MGPUTAFESA-N 1 3 363.477 2.555 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccc(Cl)cc1Cl ZINC001082920938 995828443 /nfs/dbraw/zinc/82/84/43/995828443.db2.gz MNBQHODROADPSE-HACGYAERSA-N 1 3 370.324 2.882 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccc(Cl)cc1Cl ZINC001082920938 995828445 /nfs/dbraw/zinc/82/84/45/995828445.db2.gz MNBQHODROADPSE-HACGYAERSA-N 1 3 370.324 2.882 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1ccc(Cl)nc1 ZINC001082941683 995877464 /nfs/dbraw/zinc/87/74/64/995877464.db2.gz HBVFMAMTHWJUKM-NVXWUHKLSA-N 1 3 364.921 2.548 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001082942618 995879053 /nfs/dbraw/zinc/87/90/53/995879053.db2.gz NAJKYTQNOTWGSF-IIBYNOLFSA-N 1 3 366.509 2.702 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903565045 1015983785 /nfs/dbraw/zinc/98/37/85/1015983785.db2.gz DKTMOMPILXMUIW-AOIWGVFYSA-N 1 3 371.550 2.742 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903565045 1015983794 /nfs/dbraw/zinc/98/37/94/1015983794.db2.gz DKTMOMPILXMUIW-AOIWGVFYSA-N 1 3 371.550 2.742 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c(C)c1 ZINC001084349359 996476675 /nfs/dbraw/zinc/47/66/75/996476675.db2.gz IJHUVLZSILCXBN-YPAWHYETSA-N 1 3 367.537 2.678 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084349333 996476803 /nfs/dbraw/zinc/47/68/03/996476803.db2.gz HQRVLFZCBZLOSJ-BHIFYINESA-N 1 3 367.537 2.624 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)[C@@H]3C2)cc1 ZINC001084407002 996550015 /nfs/dbraw/zinc/55/00/15/996550015.db2.gz DPFPDYXKLFSBRK-VSKRKVRLSA-N 1 3 369.553 2.664 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)[C@@H]3C2)cc1 ZINC001084407002 996550018 /nfs/dbraw/zinc/55/00/18/996550018.db2.gz DPFPDYXKLFSBRK-VSKRKVRLSA-N 1 3 369.553 2.664 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084662789 996774451 /nfs/dbraw/zinc/77/44/51/996774451.db2.gz XBKAJMBUVHSKGX-NQSCKRDGSA-N 1 3 367.537 2.939 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084662789 996774455 /nfs/dbraw/zinc/77/44/55/996774455.db2.gz XBKAJMBUVHSKGX-NQSCKRDGSA-N 1 3 367.537 2.939 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1C ZINC001084775613 997287352 /nfs/dbraw/zinc/28/73/52/997287352.db2.gz ODHMIVKDYOXFLA-NJDAHSKKSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1C ZINC001084775613 997287363 /nfs/dbraw/zinc/28/73/63/997287363.db2.gz ODHMIVKDYOXFLA-NJDAHSKKSA-N 1 3 355.526 2.678 20 0 FFADHO CCCc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001084831019 997576820 /nfs/dbraw/zinc/57/68/20/997576820.db2.gz VEECSRYXZUFLHG-QHAWAJNXSA-N 1 3 355.526 2.624 20 0 FFADHO CCCc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001084831019 997576830 /nfs/dbraw/zinc/57/68/30/997576830.db2.gz VEECSRYXZUFLHG-QHAWAJNXSA-N 1 3 355.526 2.624 20 0 FFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943925 998241196 /nfs/dbraw/zinc/24/11/96/998241196.db2.gz HZZUQGLSHKCJDO-DGQTTZFYSA-N 1 3 373.516 2.897 20 0 FFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943925 998241207 /nfs/dbraw/zinc/24/12/07/998241207.db2.gz HZZUQGLSHKCJDO-DGQTTZFYSA-N 1 3 373.516 2.897 20 0 FFADHO COc1cc2c(cc1OC)C1(CCC1)N(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903786625 1016199460 /nfs/dbraw/zinc/19/94/60/1016199460.db2.gz NCLQFSKDDHWURJ-LAUBAEHRSA-N 1 3 372.509 2.710 20 0 FFADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001273248940 998511301 /nfs/dbraw/zinc/51/13/01/998511301.db2.gz PMXCDMSKRZILJS-ARFHVFGLSA-N 1 3 361.452 2.594 20 0 FFADHO CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001273248940 998511309 /nfs/dbraw/zinc/51/13/09/998511309.db2.gz PMXCDMSKRZILJS-ARFHVFGLSA-N 1 3 361.452 2.594 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](c3nc4ccccc4o3)C2)cnn1C ZINC000903879689 1016283316 /nfs/dbraw/zinc/28/33/16/1016283316.db2.gz HJUMUAXKSNXEEA-IAGOWNOFSA-N 1 3 367.497 2.867 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1)N1CCCCC1 ZINC001085199024 999150597 /nfs/dbraw/zinc/15/05/97/999150597.db2.gz SYRLMEFDCXOAJZ-IAGOWNOFSA-N 1 3 364.559 2.925 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(COc3ccccc3)CC2)cnn1C ZINC000903885736 1016287562 /nfs/dbraw/zinc/28/75/62/1016287562.db2.gz KFVNFGDXKOFVGE-IBGZPJMESA-N 1 3 356.514 2.637 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001085217729 999185510 /nfs/dbraw/zinc/18/55/10/999185510.db2.gz NWCCRNJTXYNBBE-GUDVDZBRSA-N 1 3 362.493 2.612 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001085217729 999185512 /nfs/dbraw/zinc/18/55/12/999185512.db2.gz NWCCRNJTXYNBBE-GUDVDZBRSA-N 1 3 362.493 2.612 20 0 FFADHO Cc1c(C[C@@H](CN)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cnn1C ZINC000903900078 1016295134 /nfs/dbraw/zinc/29/51/34/1016295134.db2.gz ZNXPPRBCMFHCGO-AVRDEDQJSA-N 1 3 370.541 2.608 20 0 FFADHO Cc1c(C[C@@H](CN)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cnn1C ZINC000903900078 1016295143 /nfs/dbraw/zinc/29/51/43/1016295143.db2.gz ZNXPPRBCMFHCGO-AVRDEDQJSA-N 1 3 370.541 2.608 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085255082 999269612 /nfs/dbraw/zinc/26/96/12/999269612.db2.gz MONZSIAPTLRHLG-QRVBRYPASA-N 1 3 362.518 2.620 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085255082 999269615 /nfs/dbraw/zinc/26/96/15/999269615.db2.gz MONZSIAPTLRHLG-QRVBRYPASA-N 1 3 362.518 2.620 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001085352440 999406952 /nfs/dbraw/zinc/40/69/52/999406952.db2.gz HRIYQRGFFRLWJE-BHIYHBOVSA-N 1 3 362.518 2.765 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2Cl)C1 ZINC001085422293 999496289 /nfs/dbraw/zinc/49/62/89/999496289.db2.gz NUULDBCMMMIOST-DJIMGWMZSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2Cl)C1 ZINC001085422293 999496291 /nfs/dbraw/zinc/49/62/91/999496291.db2.gz NUULDBCMMMIOST-DJIMGWMZSA-N 1 3 367.896 2.948 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000740770745 999683360 /nfs/dbraw/zinc/68/33/60/999683360.db2.gz IYFFARLKKLHRGR-AZUAARDMSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000740770745 999683361 /nfs/dbraw/zinc/68/33/61/999683361.db2.gz IYFFARLKKLHRGR-AZUAARDMSA-N 1 3 374.598 2.942 20 0 FFADHO Fc1ccccc1-c1n[nH]cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980638 1016357443 /nfs/dbraw/zinc/35/74/43/1016357443.db2.gz WENJQMUSEARBCF-HDICACEKSA-N 1 3 369.488 2.616 20 0 FFADHO Fc1ccccc1-c1n[nH]cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980638 1016357453 /nfs/dbraw/zinc/35/74/53/1016357453.db2.gz WENJQMUSEARBCF-HDICACEKSA-N 1 3 369.488 2.616 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000746023895 999941636 /nfs/dbraw/zinc/94/16/36/999941636.db2.gz JUZKPZKGGVFBQK-QUCCMNQESA-N 1 3 371.529 2.529 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000746023895 999941638 /nfs/dbraw/zinc/94/16/38/999941638.db2.gz JUZKPZKGGVFBQK-QUCCMNQESA-N 1 3 371.529 2.529 20 0 FFADHO C[C@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC001169122850 1000022821 /nfs/dbraw/zinc/02/28/21/1000022821.db2.gz DYWCNSPKGJDALF-DLBZAZTESA-N 1 3 369.550 2.770 20 0 FFADHO C[C@H](NCCOCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169122850 1000022819 /nfs/dbraw/zinc/02/28/19/1000022819.db2.gz DYWCNSPKGJDALF-DLBZAZTESA-N 1 3 369.550 2.770 20 0 FFADHO C[C@H](NCCOCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169122850 1000022820 /nfs/dbraw/zinc/02/28/20/1000022820.db2.gz DYWCNSPKGJDALF-DLBZAZTESA-N 1 3 369.550 2.770 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C1)C2 ZINC001169134657 1000024076 /nfs/dbraw/zinc/02/40/76/1000024076.db2.gz WHPNCRBVCWPZHS-LILSUDLASA-N 1 3 371.525 2.847 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C1)C2 ZINC001169134657 1000024078 /nfs/dbraw/zinc/02/40/78/1000024078.db2.gz WHPNCRBVCWPZHS-LILSUDLASA-N 1 3 371.525 2.847 20 0 FFADHO COc1cc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)cc1O ZINC001206015032 1000066403 /nfs/dbraw/zinc/06/64/03/1000066403.db2.gz ZQAZKTAZDWUGAP-NEPJUHHUSA-N 1 3 357.292 2.970 20 0 FFADHO CC(=O)N1CCC[C@@H]([NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)C1 ZINC001169605956 1000061733 /nfs/dbraw/zinc/06/17/33/1000061733.db2.gz NHEAGWUWZUWLDY-UYAOXDASSA-N 1 3 359.514 2.967 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399584 1000382642 /nfs/dbraw/zinc/38/26/42/1000382642.db2.gz OHXGARILNGDLBN-YRPNKDGESA-N 1 3 365.562 2.788 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399584 1000382646 /nfs/dbraw/zinc/38/26/46/1000382646.db2.gz OHXGARILNGDLBN-YRPNKDGESA-N 1 3 365.562 2.788 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001091715523 1001132781 /nfs/dbraw/zinc/13/27/81/1001132781.db2.gz AVARHAIUAGVKET-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001091715523 1001132786 /nfs/dbraw/zinc/13/27/86/1001132786.db2.gz AVARHAIUAGVKET-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)c1cccc(OC)c1 ZINC001109934081 1001169874 /nfs/dbraw/zinc/16/98/74/1001169874.db2.gz NDUIGFRKLPCZKQ-BEKAIBRUSA-N 1 3 359.514 2.820 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)c1cccc(OC)c1 ZINC001109934081 1001169877 /nfs/dbraw/zinc/16/98/77/1001169877.db2.gz NDUIGFRKLPCZKQ-BEKAIBRUSA-N 1 3 359.514 2.820 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]3(C)C2)cs1 ZINC001091758730 1001228732 /nfs/dbraw/zinc/22/87/32/1001228732.db2.gz JOMQSRZFOYJTBQ-HBFSDRIKSA-N 1 3 363.571 2.923 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]3(C)C2)cs1 ZINC001091758730 1001228739 /nfs/dbraw/zinc/22/87/39/1001228739.db2.gz JOMQSRZFOYJTBQ-HBFSDRIKSA-N 1 3 363.571 2.923 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]3(C)C2)cc1 ZINC001091758874 1001230044 /nfs/dbraw/zinc/23/00/44/1001230044.db2.gz PFJHTEMBGNBAGW-GIWBLDEGSA-N 1 3 371.569 2.904 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]3(C)C2)cc1 ZINC001091758874 1001230048 /nfs/dbraw/zinc/23/00/48/1001230048.db2.gz PFJHTEMBGNBAGW-GIWBLDEGSA-N 1 3 371.569 2.904 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001091754600 1001232538 /nfs/dbraw/zinc/23/25/38/1001232538.db2.gz VLPFGKBEWLXFKI-GGPKGHCWSA-N 1 3 361.555 2.903 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001091754600 1001232543 /nfs/dbraw/zinc/23/25/43/1001232543.db2.gz VLPFGKBEWLXFKI-GGPKGHCWSA-N 1 3 361.555 2.903 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[NH+]3CCC(C)CC3)cc2)CC1 ZINC001149010672 1001245074 /nfs/dbraw/zinc/24/50/74/1001245074.db2.gz MSZKQZMULXSQKQ-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C[C@@H]2C)CCN(C/C=C\Cl)CC3)CC[N@@H+]1C ZINC001086923848 1001332415 /nfs/dbraw/zinc/33/24/15/1001332415.db2.gz CFVBGPDDBXKYPR-RCPAUMBQSA-N 1 3 353.938 2.782 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C[C@@H]2C)CCN(C/C=C\Cl)CC3)CC[N@H+]1C ZINC001086923848 1001332420 /nfs/dbraw/zinc/33/24/20/1001332420.db2.gz CFVBGPDDBXKYPR-RCPAUMBQSA-N 1 3 353.938 2.782 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(Cl)Cl)C1 ZINC001112567862 1001499053 /nfs/dbraw/zinc/49/90/53/1001499053.db2.gz LTNXKIBKDHPBHO-YOEHRIQHSA-N 1 3 362.345 2.866 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC(C)C)C1 ZINC001112585565 1001536013 /nfs/dbraw/zinc/53/60/13/1001536013.db2.gz FMKRQKDXKUXGKS-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001095499110 1016510950 /nfs/dbraw/zinc/51/09/50/1016510950.db2.gz QXMVYRGWFKTKEC-IVAOSVALSA-N 1 3 355.526 2.825 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001095499110 1016510959 /nfs/dbraw/zinc/51/09/59/1016510959.db2.gz QXMVYRGWFKTKEC-IVAOSVALSA-N 1 3 355.526 2.825 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC001183154305 1002175039 /nfs/dbraw/zinc/17/50/39/1002175039.db2.gz OTESEPIQXMAPRA-IBGZPJMESA-N 1 3 361.530 2.973 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001092010586 1002277976 /nfs/dbraw/zinc/27/79/76/1002277976.db2.gz HJSLXGVHHDCHGU-WPYKKVEZSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001092010586 1002277982 /nfs/dbraw/zinc/27/79/82/1002277982.db2.gz HJSLXGVHHDCHGU-WPYKKVEZSA-N 1 3 369.553 2.884 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c(C)c1 ZINC001092012975 1002286073 /nfs/dbraw/zinc/28/60/73/1002286073.db2.gz FOHICNDOYOUDBN-AAIMPIBUSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c(C)c1 ZINC001092012975 1002286079 /nfs/dbraw/zinc/28/60/79/1002286079.db2.gz FOHICNDOYOUDBN-AAIMPIBUSA-N 1 3 369.553 2.926 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3C[N@H+](CC4CCC4)C[C@@]3(C)C2)C1 ZINC001092013755 1002288275 /nfs/dbraw/zinc/28/82/75/1002288275.db2.gz YZLSSWRUWVQDGD-JRGCBEDISA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3C[N@@H+](CC4CCC4)C[C@@]3(C)C2)C1 ZINC001092013755 1002288277 /nfs/dbraw/zinc/28/82/77/1002288277.db2.gz YZLSSWRUWVQDGD-JRGCBEDISA-N 1 3 365.537 2.779 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092014972 1002290366 /nfs/dbraw/zinc/29/03/66/1002290366.db2.gz HSOHWYKLPCSZSI-KNQAVFIVSA-N 1 3 355.526 2.699 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092014972 1002290372 /nfs/dbraw/zinc/29/03/72/1002290372.db2.gz HSOHWYKLPCSZSI-KNQAVFIVSA-N 1 3 355.526 2.699 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)c(F)c3)C[C@@]2(C)C1)N(C)C ZINC001092021730 1002299270 /nfs/dbraw/zinc/29/92/70/1002299270.db2.gz HEHGKBMXYZJPBR-LMNJBCLMSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)c(F)c3)C[C@@]2(C)C1)N(C)C ZINC001092021730 1002299273 /nfs/dbraw/zinc/29/92/73/1002299273.db2.gz HEHGKBMXYZJPBR-LMNJBCLMSA-N 1 3 361.505 2.755 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](C[C@@H]1CCCC(F)(F)C1)C2 ZINC001092049720 1002320247 /nfs/dbraw/zinc/32/02/47/1002320247.db2.gz IQWBQDLAJSIVJL-RKVPGOIHSA-N 1 3 366.456 2.558 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](C[C@@H]1CCCC(F)(F)C1)C2 ZINC001092049720 1002320259 /nfs/dbraw/zinc/32/02/59/1002320259.db2.gz IQWBQDLAJSIVJL-RKVPGOIHSA-N 1 3 366.456 2.558 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccccc1 ZINC001086587898 1002397961 /nfs/dbraw/zinc/39/79/61/1002397961.db2.gz TUBRYJYUPHESMQ-XUVXKRRUSA-N 1 3 361.505 2.803 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1 ZINC001086587898 1002397968 /nfs/dbraw/zinc/39/79/68/1002397968.db2.gz TUBRYJYUPHESMQ-XUVXKRRUSA-N 1 3 361.505 2.803 20 0 FFADHO CCCC[C@@H](CNCc1scnc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001276256758 1016630776 /nfs/dbraw/zinc/63/07/76/1016630776.db2.gz YGOJFWIFOJRKJL-OWCLPIDISA-N 1 3 352.548 2.556 20 0 FFADHO CCCC[C@@H](CNCc1scnc1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001276256758 1016630784 /nfs/dbraw/zinc/63/07/84/1016630784.db2.gz YGOJFWIFOJRKJL-OWCLPIDISA-N 1 3 352.548 2.556 20 0 FFADHO [NH3+]CCN(C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccnc1 ZINC001184405447 1002596778 /nfs/dbraw/zinc/59/67/78/1002596778.db2.gz LMNRFWZGHTVVLP-QGZVFWFLSA-N 1 3 372.900 2.939 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCc3ccccc3Cl)C2)C1=O ZINC001276282594 1016711830 /nfs/dbraw/zinc/71/18/30/1016711830.db2.gz PUCKVEWOIULDCI-FQEVSTJZSA-N 1 3 363.933 2.759 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCc3ccccc3Cl)C2)C1=O ZINC001276282594 1016711845 /nfs/dbraw/zinc/71/18/45/1016711845.db2.gz PUCKVEWOIULDCI-FQEVSTJZSA-N 1 3 363.933 2.759 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001092602803 1003209428 /nfs/dbraw/zinc/20/94/28/1003209428.db2.gz OSXVRWAQBAIXFI-ZHALLVOQSA-N 1 3 363.571 2.848 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001092602803 1003209438 /nfs/dbraw/zinc/20/94/38/1003209438.db2.gz OSXVRWAQBAIXFI-ZHALLVOQSA-N 1 3 363.571 2.848 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001186189296 1003211734 /nfs/dbraw/zinc/21/17/34/1003211734.db2.gz MECPESQTXMRLJB-MISYRCLQSA-N 1 3 361.505 2.708 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001186189296 1003211741 /nfs/dbraw/zinc/21/17/41/1003211741.db2.gz MECPESQTXMRLJB-MISYRCLQSA-N 1 3 361.505 2.708 20 0 FFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1COc2ccccc2O1 ZINC000678123471 1016801482 /nfs/dbraw/zinc/80/14/82/1016801482.db2.gz XPGYDVYEHJQHIE-IBGZPJMESA-N 1 3 356.466 2.899 20 0 FFADHO CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086625181 1003765886 /nfs/dbraw/zinc/76/58/86/1003765886.db2.gz NYYGBBUBYCQVSG-LEWJYISDSA-N 1 3 351.494 2.966 20 0 FFADHO CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086625181 1003765891 /nfs/dbraw/zinc/76/58/91/1003765891.db2.gz NYYGBBUBYCQVSG-LEWJYISDSA-N 1 3 351.494 2.966 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197221884 1004130412 /nfs/dbraw/zinc/13/04/12/1004130412.db2.gz VCJNNVGTRYOCHC-OXQOHEQNSA-N 1 3 371.566 2.562 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197221884 1004130419 /nfs/dbraw/zinc/13/04/19/1004130419.db2.gz VCJNNVGTRYOCHC-OXQOHEQNSA-N 1 3 371.566 2.562 20 0 FFADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723486 1004339121 /nfs/dbraw/zinc/33/91/21/1004339121.db2.gz ILHZJONZGJUEFX-RTBURBONSA-N 1 3 355.567 2.630 20 0 FFADHO COc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1C ZINC001170523011 1004575726 /nfs/dbraw/zinc/57/57/26/1004575726.db2.gz XCAGHBFCVYSUIN-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO CC(=O)Nc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001201626552 1005245307 /nfs/dbraw/zinc/24/53/07/1005245307.db2.gz NSMNUAVEFMTMDG-JOCHJYFZSA-N 1 3 367.493 2.892 20 0 FFADHO CC(=O)Nc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001201626552 1005245309 /nfs/dbraw/zinc/24/53/09/1005245309.db2.gz NSMNUAVEFMTMDG-JOCHJYFZSA-N 1 3 367.493 2.892 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCc1csc(C)n1)N(C)C ZINC001489038170 1005391269 /nfs/dbraw/zinc/39/12/69/1005391269.db2.gz JTDKPVNXEDCLFF-FHLIZLRMSA-N 1 3 366.575 2.551 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2)CC1 ZINC000851638121 1005902227 /nfs/dbraw/zinc/90/22/27/1005902227.db2.gz YPWGBUREOATBMF-UHFFFAOYSA-N 1 3 356.514 2.817 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000852186541 1005949151 /nfs/dbraw/zinc/94/91/51/1005949151.db2.gz FHUNDOMSUADMJU-XMTFNYHQSA-N 1 3 371.566 2.559 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000852186541 1005949152 /nfs/dbraw/zinc/94/91/52/1005949152.db2.gz FHUNDOMSUADMJU-XMTFNYHQSA-N 1 3 371.566 2.559 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001097085772 1017014408 /nfs/dbraw/zinc/01/44/08/1017014408.db2.gz OZCKFKBZVDDWRX-MBDNFAEBSA-N 1 3 367.537 2.812 20 0 FFADHO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C3)c(C)c1 ZINC001110667871 1006378168 /nfs/dbraw/zinc/37/81/68/1006378168.db2.gz NNQDSTRIWZORFG-MXEMCNAFSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C3)c(C)c1 ZINC001110667871 1006378178 /nfs/dbraw/zinc/37/81/78/1006378178.db2.gz NNQDSTRIWZORFG-MXEMCNAFSA-N 1 3 355.526 2.865 20 0 FFADHO CCCCCCN(C)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)cn2)no1 ZINC000854089275 1006672273 /nfs/dbraw/zinc/67/22/73/1006672273.db2.gz XVBVCIZXENWTSJ-UHFFFAOYSA-N 1 3 372.517 2.896 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000854232057 1006734520 /nfs/dbraw/zinc/73/45/20/1006734520.db2.gz KKDOCTQHBBYSPU-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000854232057 1006734527 /nfs/dbraw/zinc/73/45/27/1006734527.db2.gz KKDOCTQHBBYSPU-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000854245389 1006737496 /nfs/dbraw/zinc/73/74/96/1006737496.db2.gz KCMIXFFBUHKECX-IBGZPJMESA-N 1 3 360.546 2.675 20 0 FFADHO CCCC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC001116187136 1032179086 /nfs/dbraw/zinc/17/90/86/1032179086.db2.gz FNYXJBSPNUSOSB-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001116257315 1032221216 /nfs/dbraw/zinc/22/12/16/1032221216.db2.gz MXNSENVMMHYJDS-GTAWCEEGSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](CCCCNC/C(Cl)=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861938 1007545351 /nfs/dbraw/zinc/54/53/51/1007545351.db2.gz IMQSLHCWIFMBCS-UJKMHKIJSA-N 1 3 350.334 2.910 20 0 FFADHO C[C@H](CCCCNC/C(Cl)=C\Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861938 1007545356 /nfs/dbraw/zinc/54/53/56/1007545356.db2.gz IMQSLHCWIFMBCS-UJKMHKIJSA-N 1 3 350.334 2.910 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCNC(=O)/C=C/c1ccccc1 ZINC000817929387 1007798481 /nfs/dbraw/zinc/79/84/81/1007798481.db2.gz GUPSNJQIVVRGGX-MDFWECQCSA-N 1 3 351.494 2.754 20 0 FFADHO COc1ccccc1[C@H](O)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817892717 1007799981 /nfs/dbraw/zinc/79/99/81/1007799981.db2.gz PFOZTHXCOGERAR-WAOWUJCRSA-N 1 3 354.450 2.574 20 0 FFADHO COc1ccc([C@@H](C)NC[C@H]2C[NH2+]CCCO2)cc1CN1CCCCC1 ZINC000817980324 1007838268 /nfs/dbraw/zinc/83/82/68/1007838268.db2.gz AEXCXBGVPSWTAK-YLJYHZDGSA-N 1 3 361.530 2.710 20 0 FFADHO Cc1ncoc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086820234 1007900287 /nfs/dbraw/zinc/90/02/87/1007900287.db2.gz VFMHHBMRNHHVIO-RCCFBDPRSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncoc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086820234 1007900291 /nfs/dbraw/zinc/90/02/91/1007900291.db2.gz VFMHHBMRNHHVIO-RCCFBDPRSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncoc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086820234 1007900298 /nfs/dbraw/zinc/90/02/98/1007900298.db2.gz VFMHHBMRNHHVIO-RCCFBDPRSA-N 1 3 362.518 2.620 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3cccc(F)c3)cc2)CC1 ZINC000818956120 1007994805 /nfs/dbraw/zinc/99/48/05/1007994805.db2.gz IUHUPDLOPYGSFS-QFIPXVFZSA-N 1 3 371.500 2.786 20 0 FFADHO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000818956420 1007994977 /nfs/dbraw/zinc/99/49/77/1007994977.db2.gz LHIFHZMJRZEHDM-JOCHJYFZSA-N 1 3 353.510 2.566 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000819084138 1008030553 /nfs/dbraw/zinc/03/05/53/1008030553.db2.gz KBURGXGRXNWKPJ-RDTXWAMCSA-N 1 3 372.431 2.829 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCCc3cn[nH]c32)[C@@H](c2ccccc2)C1 ZINC000857846745 1008223354 /nfs/dbraw/zinc/22/33/54/1008223354.db2.gz GIHDGBZYLPCPQQ-WOJBJXKFSA-N 1 3 353.514 2.756 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001159786362 1008240074 /nfs/dbraw/zinc/24/00/74/1008240074.db2.gz YRXNHKIXVVUNFD-SECBINFHSA-N 1 3 350.200 2.599 20 0 FFADHO CN(CCC(=O)NCC(=O)c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211756 1008487726 /nfs/dbraw/zinc/48/77/26/1008487726.db2.gz DIUGUHLRFBGPNW-UHFFFAOYSA-N 1 3 367.493 2.569 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1CCN(Cc2ccccn2)CC1 ZINC001177212576 1008517375 /nfs/dbraw/zinc/51/73/75/1008517375.db2.gz BOOCPLKIEYYENZ-GOSISDBHSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@H]([C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)N1CCOCC1 ZINC000886524072 1008717947 /nfs/dbraw/zinc/71/79/47/1008717947.db2.gz BULIFUGQTBZJKW-PLSULTGPSA-N 1 3 357.542 2.738 20 0 FFADHO CN1CCN(CCCO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001206590522 1032356541 /nfs/dbraw/zinc/35/65/41/1032356541.db2.gz MHRYYRPBEMKIKY-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO CN1CCN(CCCO[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001206590522 1032356553 /nfs/dbraw/zinc/35/65/53/1032356553.db2.gz MHRYYRPBEMKIKY-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H](C1)O2 ZINC001274042857 1009309334 /nfs/dbraw/zinc/30/93/34/1009309334.db2.gz ULIWRFGHTXCBFJ-SLFFLAALSA-N 1 3 367.578 2.846 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1C ZINC001093025172 1009640248 /nfs/dbraw/zinc/64/02/48/1009640248.db2.gz TYWNIAWKZRRJGL-RLLQIKCJSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C ZINC001093025172 1009640256 /nfs/dbraw/zinc/64/02/56/1009640256.db2.gz TYWNIAWKZRRJGL-RLLQIKCJSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093194403 1010113196 /nfs/dbraw/zinc/11/31/96/1010113196.db2.gz YUMMXTUNRSLUPT-MGPQQGTHSA-N 1 3 355.935 2.537 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093194403 1010113204 /nfs/dbraw/zinc/11/32/04/1010113204.db2.gz YUMMXTUNRSLUPT-MGPQQGTHSA-N 1 3 355.935 2.537 20 0 FFADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110143105 1010213513 /nfs/dbraw/zinc/21/35/13/1010213513.db2.gz UOMAYNUUDJJCML-AABGKKOBSA-N 1 3 359.514 2.510 20 0 FFADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110143105 1010213521 /nfs/dbraw/zinc/21/35/21/1010213521.db2.gz UOMAYNUUDJJCML-AABGKKOBSA-N 1 3 359.514 2.510 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)s1 ZINC001093768581 1010541571 /nfs/dbraw/zinc/54/15/71/1010541571.db2.gz ZWXXXEZTIQWLRF-OIISXLGYSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)s1 ZINC001093768581 1010541581 /nfs/dbraw/zinc/54/15/81/1010541581.db2.gz ZWXXXEZTIQWLRF-OIISXLGYSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001093821233 1010592943 /nfs/dbraw/zinc/59/29/43/1010592943.db2.gz XWQDABDQOJAOFH-BZUAXINKSA-N 1 3 357.489 2.590 20 0 FFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093823999 1010595731 /nfs/dbraw/zinc/59/57/31/1010595731.db2.gz CBYLZCZRJLDLLN-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cs1 ZINC001093836037 1010606835 /nfs/dbraw/zinc/60/68/35/1010606835.db2.gz UIAFYZOENWLAFZ-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C)cs1 ZINC001093836037 1010606836 /nfs/dbraw/zinc/60/68/36/1010606836.db2.gz UIAFYZOENWLAFZ-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C)s1 ZINC001093835829 1010606861 /nfs/dbraw/zinc/60/68/61/1010606861.db2.gz LJEBMIUWVCBCEX-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C)s1 ZINC001093835829 1010606867 /nfs/dbraw/zinc/60/68/67/1010606867.db2.gz LJEBMIUWVCBCEX-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO COc1cccc(C(C)(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000865064593 1010700142 /nfs/dbraw/zinc/70/01/42/1010700142.db2.gz XIBJBTWVKFXQAS-UHFFFAOYSA-N 1 3 373.541 2.648 20 0 FFADHO Cn1ncc2cc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)cnc21 ZINC000865458908 1010790517 /nfs/dbraw/zinc/79/05/17/1010790517.db2.gz PIILNHCLMDGTNW-UHFFFAOYSA-N 1 3 365.481 2.733 20 0 FFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)c1 ZINC001094044025 1010807572 /nfs/dbraw/zinc/80/75/72/1010807572.db2.gz JGEBGRHWCNIOQX-UYAOXDASSA-N 1 3 357.542 2.911 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1)N(C)C ZINC001094049194 1010808724 /nfs/dbraw/zinc/80/87/24/1010808724.db2.gz LUMPNXYQQPTBJR-HBGVWJBISA-N 1 3 357.542 2.700 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2scnc2C)[C@H](C)C1 ZINC001094241510 1010985021 /nfs/dbraw/zinc/98/50/21/1010985021.db2.gz JSFRSJPHSRNYFW-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667176 1011034618 /nfs/dbraw/zinc/03/46/18/1011034618.db2.gz CZHYBDASHVJCSU-MMKMLUHNSA-N 1 3 373.541 2.955 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000866665876 1011034841 /nfs/dbraw/zinc/03/48/41/1011034841.db2.gz JNBNPPXRDKZHRJ-AQNXPRMDSA-N 1 3 359.514 2.565 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(CCF)CC2)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001094434171 1011119298 /nfs/dbraw/zinc/11/92/98/1011119298.db2.gz VGGMRALCBHLRGE-QWFCFKBJSA-N 1 3 351.510 2.724 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(CCF)CC2)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001094434171 1011119300 /nfs/dbraw/zinc/11/93/00/1011119300.db2.gz VGGMRALCBHLRGE-QWFCFKBJSA-N 1 3 351.510 2.724 20 0 FFADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161393 1011323740 /nfs/dbraw/zinc/32/37/40/1011323740.db2.gz CWBIHYMFJRYBBS-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161393 1011323751 /nfs/dbraw/zinc/32/37/51/1011323751.db2.gz CWBIHYMFJRYBBS-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161393 1011323761 /nfs/dbraw/zinc/32/37/61/1011323761.db2.gz CWBIHYMFJRYBBS-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3conc3Cc3ccccc3)C2)CC1 ZINC000645155163 1011359656 /nfs/dbraw/zinc/35/96/56/1011359656.db2.gz GZIODFOAQDHSTN-IBGZPJMESA-N 1 3 354.498 2.524 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718123 1011433738 /nfs/dbraw/zinc/43/37/38/1011433738.db2.gz RCXAOFIGFGSJTH-YESZJQIVSA-N 1 3 365.518 2.861 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718123 1011433743 /nfs/dbraw/zinc/43/37/43/1011433743.db2.gz RCXAOFIGFGSJTH-YESZJQIVSA-N 1 3 365.518 2.861 20 0 FFADHO CCOC(=O)CC1(N)CC[NH+](C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171922169 1011542909 /nfs/dbraw/zinc/54/29/09/1011542909.db2.gz QBWNOEJGVCOMCT-UHFFFAOYSA-N 1 3 368.518 2.633 20 0 FFADHO CCOC(=O)CC1([NH3+])CCN(C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171922169 1011542947 /nfs/dbraw/zinc/54/29/47/1011542947.db2.gz QBWNOEJGVCOMCT-UHFFFAOYSA-N 1 3 368.518 2.633 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CN(Cc3ccc(F)cc3)CCO1)C2 ZINC001172108511 1011641663 /nfs/dbraw/zinc/64/16/63/1011641663.db2.gz XAQMTQUHOOVVHX-WOZUAGRISA-N 1 3 361.505 2.631 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CN(Cc3ccc(F)cc3)CCO1)C2 ZINC001172108511 1011641671 /nfs/dbraw/zinc/64/16/71/1011641671.db2.gz XAQMTQUHOOVVHX-WOZUAGRISA-N 1 3 361.505 2.631 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H]2CSc3cc(OC)ccc3C2)CC1 ZINC001172249906 1011722809 /nfs/dbraw/zinc/72/28/09/1011722809.db2.gz PKQXMCWGBWGPPR-KRWDZBQOSA-N 1 3 350.528 2.803 20 0 FFADHO CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000646137168 1011764826 /nfs/dbraw/zinc/76/48/26/1011764826.db2.gz ULPNFWHTFUTUKE-QHAWAJNXSA-N 1 3 355.526 2.745 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000646407981 1011912145 /nfs/dbraw/zinc/91/21/45/1011912145.db2.gz DUMGPDPVCDJHSP-PCCBWWKXSA-N 1 3 355.526 2.575 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001221967475 1032593759 /nfs/dbraw/zinc/59/37/59/1032593759.db2.gz FYKGWDWLSAMZAN-ICSRJNTNSA-N 1 3 360.546 2.880 20 0 FFADHO CO[C@H]1CCC[C@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)C1 ZINC001172942400 1012117013 /nfs/dbraw/zinc/11/70/13/1012117013.db2.gz OYWFNEXEXXIQFU-SFTDATJTSA-N 1 3 373.541 2.954 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3csc4ccccc34)C2)C1=O ZINC001275241282 1012129145 /nfs/dbraw/zinc/12/91/45/1012129145.db2.gz DBDRDXPXFZIRRE-HXUWFJFHSA-N 1 3 357.523 2.887 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3csc4ccccc34)C2)C1=O ZINC001275241282 1012129153 /nfs/dbraw/zinc/12/91/53/1012129153.db2.gz DBDRDXPXFZIRRE-HXUWFJFHSA-N 1 3 357.523 2.887 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCc3onc(Cn4ccnc4)c3C2)CC1 ZINC001173108668 1012255534 /nfs/dbraw/zinc/25/55/34/1012255534.db2.gz ACPFDLRQZWMQSH-UHFFFAOYSA-N 1 3 357.502 2.931 20 0 FFADHO COc1cccc2c1C[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CO2 ZINC001173151806 1012296393 /nfs/dbraw/zinc/29/63/93/1012296393.db2.gz XVYXXYWHGVUJRQ-IBGZPJMESA-N 1 3 367.493 2.896 20 0 FFADHO O=C(NCC(F)(F)F)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001275343224 1012338963 /nfs/dbraw/zinc/33/89/63/1012338963.db2.gz LGQKTUHVBSKGGV-OAHLLOKOSA-N 1 3 361.452 2.643 20 0 FFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CCN(CC(=O)C(C)(C)C)C2=O)CC1 ZINC001275508670 1012560616 /nfs/dbraw/zinc/56/06/16/1012560616.db2.gz XGPHMNVPXQVUJH-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000647909227 1012627772 /nfs/dbraw/zinc/62/77/72/1012627772.db2.gz XIDFKIOCTKRZAP-INIZCTEOSA-N 1 3 361.530 2.540 20 0 FFADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978807 1012653725 /nfs/dbraw/zinc/65/37/25/1012653725.db2.gz YKGKZFXFNOZUDK-WOJBJXKFSA-N 1 3 373.541 2.592 20 0 FFADHO CCOC(=O)[C@@H]1CC12CCC([NH+](CCCN(C)C)CCCN(C)C)CC2 ZINC001173615797 1012836597 /nfs/dbraw/zinc/83/65/97/1012836597.db2.gz ADDXOMHCSOPCHF-SCCNAQOGSA-N 1 3 367.578 2.704 20 0 FFADHO NC1(c2ccccc2Cl)CC[NH+]([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173746655 1012938457 /nfs/dbraw/zinc/93/84/57/1012938457.db2.gz QSEPZHPCFIIKMD-GJZGRUSLSA-N 1 3 360.893 2.760 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000924724062 1017449419 /nfs/dbraw/zinc/44/94/19/1017449419.db2.gz WNJNSHGRFOLBDP-FGZHOGPDSA-N 1 3 357.542 2.729 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@H]21 ZINC000827330264 1017633344 /nfs/dbraw/zinc/63/33/44/1017633344.db2.gz LIUMUFVHADDQGI-WSTZPKSXSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@H]21 ZINC000827330264 1017633351 /nfs/dbraw/zinc/63/33/51/1017633351.db2.gz LIUMUFVHADDQGI-WSTZPKSXSA-N 1 3 359.489 2.590 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CNCC3(CCOCC3)C2)c2ccccc21 ZINC000925794413 1017849909 /nfs/dbraw/zinc/84/99/09/1017849909.db2.gz URYOOLXDHAZAEX-AHRSYUTCSA-N 1 3 372.509 2.917 20 0 FFADHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000925809323 1017856625 /nfs/dbraw/zinc/85/66/25/1017856625.db2.gz QHGZMWLLAFDPSL-QGZVFWFLSA-N 1 3 367.493 2.714 20 0 FFADHO Cc1ccc(OC(F)F)c([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925853672 1017873691 /nfs/dbraw/zinc/87/36/91/1017873691.db2.gz KAUHQHMPOWGXSU-ZIAGYGMSSA-N 1 3 368.424 2.932 20 0 FFADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OC(F)(F)F ZINC000925856592 1017876183 /nfs/dbraw/zinc/87/61/83/1017876183.db2.gz SODFQQXJZFYCBB-OLZOCXBDSA-N 1 3 372.387 2.921 20 0 FFADHO COc1ccnc([C@@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000926590501 1018169665 /nfs/dbraw/zinc/16/96/65/1018169665.db2.gz BVFPTOGMUGHOJC-QGZVFWFLSA-N 1 3 355.482 2.768 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000749115545 1018181244 /nfs/dbraw/zinc/18/12/44/1018181244.db2.gz YRTQAWIUCYOGQG-WMZOPIPTSA-N 1 3 374.460 2.512 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000749115545 1018181250 /nfs/dbraw/zinc/18/12/50/1018181250.db2.gz YRTQAWIUCYOGQG-WMZOPIPTSA-N 1 3 374.460 2.512 20 0 FFADHO COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001110937720 1018741134 /nfs/dbraw/zinc/74/11/34/1018741134.db2.gz FXOUIHJZFGFICX-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO COCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001110937720 1018741149 /nfs/dbraw/zinc/74/11/49/1018741149.db2.gz FXOUIHJZFGFICX-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001110937720 1018741164 /nfs/dbraw/zinc/74/11/64/1018741164.db2.gz FXOUIHJZFGFICX-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001110937720 1018741179 /nfs/dbraw/zinc/74/11/79/1018741179.db2.gz FXOUIHJZFGFICX-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4cccnc4C)C3)C2)CC[N@@H+]1C ZINC001041300195 1018772120 /nfs/dbraw/zinc/77/21/20/1018772120.db2.gz FXBUPHRESCMQPD-VWPQPMDRSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4cccnc4C)C3)C2)CC[N@H+]1C ZINC001041300195 1018772135 /nfs/dbraw/zinc/77/21/35/1018772135.db2.gz FXBUPHRESCMQPD-VWPQPMDRSA-N 1 3 370.541 2.545 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2ncccc2c1 ZINC001110959671 1019254659 /nfs/dbraw/zinc/25/46/59/1019254659.db2.gz WFJCJQIMELAMLN-NRSPTQNISA-N 1 3 366.509 2.798 20 0 FFADHO O=[N+]([O-])c1ccc([C@@H](O)CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000389180400 1019641566 /nfs/dbraw/zinc/64/15/66/1019641566.db2.gz KSMULRHHLOWAOT-FQEVSTJZSA-N 1 3 355.438 2.882 20 0 FFADHO Cc1ccc(OCCCN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)cc1C ZINC001110980245 1019829846 /nfs/dbraw/zinc/82/98/46/1019829846.db2.gz WORJSGSZBCBXRX-NRSPTQNISA-N 1 3 373.541 2.746 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cnccc2C)CC[N@@H+]1C ZINC001045781394 1020128484 /nfs/dbraw/zinc/12/84/84/1020128484.db2.gz KSTYYTDZLJGPKD-IVAOSVALSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cnccc2C)CC[N@H+]1C ZINC001045781394 1020128490 /nfs/dbraw/zinc/12/84/90/1020128490.db2.gz KSTYYTDZLJGPKD-IVAOSVALSA-N 1 3 370.541 2.686 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)C1 ZINC001096345282 1020171047 /nfs/dbraw/zinc/17/10/47/1020171047.db2.gz LPEAZSHAYMLFRY-GFRNBQLOSA-N 1 3 367.537 2.739 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)C1 ZINC001096345282 1020171051 /nfs/dbraw/zinc/17/10/51/1020171051.db2.gz LPEAZSHAYMLFRY-GFRNBQLOSA-N 1 3 367.537 2.739 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(C)C)CC1 ZINC001071106380 1020220323 /nfs/dbraw/zinc/22/03/23/1020220323.db2.gz HKUQQUXIRJIHFH-AABGKKOBSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1cc(F)ccc1CN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752033 1020302515 /nfs/dbraw/zinc/30/25/15/1020302515.db2.gz QLAVOLAMCVIPRA-VQIMIIECSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cc(F)ccc1CN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752033 1020302524 /nfs/dbraw/zinc/30/25/24/1020302524.db2.gz QLAVOLAMCVIPRA-VQIMIIECSA-N 1 3 359.489 2.509 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]21 ZINC001217861259 1032890639 /nfs/dbraw/zinc/89/06/39/1032890639.db2.gz MZVRBDXVLZFILP-GBESFXJTSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]21 ZINC001217861259 1032890656 /nfs/dbraw/zinc/89/06/56/1032890656.db2.gz MZVRBDXVLZFILP-GBESFXJTSA-N 1 3 365.562 2.597 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902789403 1020479423 /nfs/dbraw/zinc/47/94/23/1020479423.db2.gz JJSLLUKCJYAYBT-VNXMGFANSA-N 1 3 374.525 2.547 20 0 FFADHO COc1ccc2c(c1)C[C@@H](C)C[C@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000902795506 1020482306 /nfs/dbraw/zinc/48/23/06/1020482306.db2.gz DCKINIMYOGWKAK-IIBYNOLFSA-N 1 3 373.541 2.851 20 0 FFADHO CN1CCC(NC(=S)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000800823015 1020572003 /nfs/dbraw/zinc/57/20/03/1020572003.db2.gz QZDOSEMOGARBAH-LJQANCHMSA-N 1 3 374.598 2.845 20 0 FFADHO CN1CCC(NC(=S)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000800823015 1020572009 /nfs/dbraw/zinc/57/20/09/1020572009.db2.gz QZDOSEMOGARBAH-LJQANCHMSA-N 1 3 374.598 2.845 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001098223432 1020744614 /nfs/dbraw/zinc/74/46/14/1020744614.db2.gz LCQUVXFAQFDAPZ-AQNXPRMDSA-N 1 3 353.510 2.621 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)c(C)s1 ZINC001098224935 1020746235 /nfs/dbraw/zinc/74/62/35/1020746235.db2.gz NBKFOHUMEGCSAY-KURKYZTESA-N 1 3 359.539 2.682 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1)C12CC[NH+](CC1)C2 ZINC001098224992 1020746333 /nfs/dbraw/zinc/74/63/33/1020746333.db2.gz PITQSMUCZMIDOA-QRVBRYPASA-N 1 3 373.928 2.700 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC000749197479 1020867671 /nfs/dbraw/zinc/86/76/71/1020867671.db2.gz SUZYZFZBUXAERD-UHFFFAOYSA-N 1 3 374.573 2.924 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000749572793 1021008580 /nfs/dbraw/zinc/00/85/80/1021008580.db2.gz RHEQEPKBQSWTNM-HXUWFJFHSA-N 1 3 359.514 2.650 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000749572793 1021008586 /nfs/dbraw/zinc/00/85/86/1021008586.db2.gz RHEQEPKBQSWTNM-HXUWFJFHSA-N 1 3 359.514 2.650 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2ccsc2)C3)CC[N@@H+]1C ZINC001098996628 1021554611 /nfs/dbraw/zinc/55/46/11/1021554611.db2.gz WNQDWORXFYKVJY-CAIZAGQASA-N 1 3 361.555 2.949 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2ccsc2)C3)CC[N@H+]1C ZINC001098996628 1021554622 /nfs/dbraw/zinc/55/46/22/1021554622.db2.gz WNQDWORXFYKVJY-CAIZAGQASA-N 1 3 361.555 2.949 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CCC2)C3)C1 ZINC001099029437 1021630094 /nfs/dbraw/zinc/63/00/94/1021630094.db2.gz BQZPNRIRHZSTTE-YYWHXJBOSA-N 1 3 365.537 2.970 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CCC2)C3)C1 ZINC001099029437 1021630097 /nfs/dbraw/zinc/63/00/97/1021630097.db2.gz BQZPNRIRHZSTTE-YYWHXJBOSA-N 1 3 365.537 2.970 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[NH2+]CC4)cc2)CC1 ZINC001118123780 1022076762 /nfs/dbraw/zinc/07/67/62/1022076762.db2.gz PLBZGZOAAKXLGD-UHFFFAOYSA-N 1 3 364.493 2.727 20 0 FFADHO CN(Cc1c(F)cccc1Cl)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001118198303 1022114452 /nfs/dbraw/zinc/11/44/52/1022114452.db2.gz KPJFUFZSBFMHCZ-UHFFFAOYSA-N 1 3 367.896 2.903 20 0 FFADHO O=C1NCC[C@@]12C[N@H+](Cc1ccc(C3CCCCC3)cc1)CC21CNC1 ZINC001222527637 1033031878 /nfs/dbraw/zinc/03/18/78/1033031878.db2.gz NVTXFCZXWYEPMN-JOCHJYFZSA-N 1 3 353.510 2.646 20 0 FFADHO O=C1NCC[C@@]12C[N@@H+](Cc1ccc(C3CCCCC3)cc1)CC21CNC1 ZINC001222527637 1033031893 /nfs/dbraw/zinc/03/18/93/1033031893.db2.gz NVTXFCZXWYEPMN-JOCHJYFZSA-N 1 3 353.510 2.646 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001099307061 1022267416 /nfs/dbraw/zinc/26/74/16/1022267416.db2.gz AWVRRKMRQPUGTO-ZACQAIPSSA-N 1 3 371.447 2.548 20 0 FFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017978037 1022326992 /nfs/dbraw/zinc/32/69/92/1022326992.db2.gz JGCRWRLCPZOLPV-MHTWAQMVSA-N 1 3 355.526 2.663 20 0 FFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001017978037 1022327003 /nfs/dbraw/zinc/32/70/03/1022327003.db2.gz JGCRWRLCPZOLPV-MHTWAQMVSA-N 1 3 355.526 2.663 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1 ZINC001111232878 1022519841 /nfs/dbraw/zinc/51/98/41/1022519841.db2.gz CNFGSNHNZUQZPT-QRVBRYPASA-N 1 3 363.933 2.946 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1 ZINC001111232878 1022519849 /nfs/dbraw/zinc/51/98/49/1022519849.db2.gz CNFGSNHNZUQZPT-QRVBRYPASA-N 1 3 363.933 2.946 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccnc2)C1 ZINC001099443930 1022538320 /nfs/dbraw/zinc/53/83/20/1022538320.db2.gz KAHFQDRGFQJHOJ-VWPQPMDRSA-N 1 3 370.541 2.674 20 0 FFADHO Cc1cccnc1CN1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040210158 1022803964 /nfs/dbraw/zinc/80/39/64/1022803964.db2.gz PAACOMYVPSJEJM-KNKQGSTJSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cccnc1CN1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210158 1022803987 /nfs/dbraw/zinc/80/39/87/1022803987.db2.gz PAACOMYVPSJEJM-KNKQGSTJSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2CCC[C@]3(CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)c1 ZINC001040211749 1022807088 /nfs/dbraw/zinc/80/70/88/1022807088.db2.gz ZFGCGDQIWUFLQV-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2CCC[C@]3(CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)c1 ZINC001040211749 1022807107 /nfs/dbraw/zinc/80/71/07/1022807107.db2.gz ZFGCGDQIWUFLQV-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO [NH3+][C@H](CC(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21)c1ccccc1 ZINC001122249911 1023146137 /nfs/dbraw/zinc/14/61/37/1023146137.db2.gz UBSHZNXLNFNLKE-WSTZPKSXSA-N 1 3 365.477 2.585 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3C(=O)OC[C@@H]3Cc3ccccc3)C[C@@H]2C1 ZINC001120358439 1023313384 /nfs/dbraw/zinc/31/33/84/1023313384.db2.gz AIQHDPOZZCSTJB-HAGHYFMRSA-N 1 3 357.498 2.670 20 0 FFADHO [NH3+]C[C@H]1CCCC12CCN(C(=O)[C@H]1CCCN(Cc3cccnc3)C1)CC2 ZINC001122557089 1023337784 /nfs/dbraw/zinc/33/77/84/1023337784.db2.gz WCUWGYQUXNZWRO-VQTJNVASSA-N 1 3 370.541 2.661 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)N(C)C)cc1 ZINC001120535475 1023352732 /nfs/dbraw/zinc/35/27/32/1023352732.db2.gz DYHMPFIEVCOUSO-HKUYNNGSSA-N 1 3 362.543 2.549 20 0 FFADHO O[C@@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC001120607874 1023383571 /nfs/dbraw/zinc/38/35/71/1023383571.db2.gz IADMXDMMKKTWQB-XHSDSOJGSA-N 1 3 359.297 2.950 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000754877413 1023531372 /nfs/dbraw/zinc/53/13/72/1023531372.db2.gz FYDMFAQQZTULIB-UHFFFAOYSA-N 1 3 359.514 2.848 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3n(n2)CCC[C@H]3N)CC1 ZINC001121920789 1024171608 /nfs/dbraw/zinc/17/16/08/1024171608.db2.gz LODGGHRYVNAZFC-CRAIPNDOSA-N 1 3 367.497 2.632 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc3c2OCCNC3)CC1 ZINC001121926732 1024177980 /nfs/dbraw/zinc/17/79/80/1024177980.db2.gz RMHNCELEHGDAOQ-UHFFFAOYSA-N 1 3 359.514 2.657 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCc3cccs3)C[C@@]2(C)C1 ZINC001101285135 1024326448 /nfs/dbraw/zinc/32/64/48/1024326448.db2.gz QARYKARERUDRFK-UZLBHIALSA-N 1 3 363.571 2.801 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCc3cccs3)C[C@@]2(C)C1 ZINC001101285135 1024326467 /nfs/dbraw/zinc/32/64/67/1024326467.db2.gz QARYKARERUDRFK-UZLBHIALSA-N 1 3 363.571 2.801 20 0 FFADHO [NH3+]C[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CCCCCC1 ZINC001122142530 1024378987 /nfs/dbraw/zinc/37/89/87/1024378987.db2.gz SQZOAUJYGGLRCN-OAQYLSRUSA-N 1 3 372.557 2.955 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368885 1024561353 /nfs/dbraw/zinc/56/13/53/1024561353.db2.gz RTUVBQQBDDYCPN-NQIIRXRSSA-N 1 3 367.578 2.561 20 0 FFADHO COCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368885 1024561356 /nfs/dbraw/zinc/56/13/56/1024561356.db2.gz RTUVBQQBDDYCPN-NQIIRXRSSA-N 1 3 367.578 2.561 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCCc3ccsc3)C[C@@]2(C)C1 ZINC001101400226 1024637178 /nfs/dbraw/zinc/63/71/78/1024637178.db2.gz MMNFDOOOKWNUSY-QUCCMNQESA-N 1 3 363.571 2.803 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccsc3)C[C@@]2(C)C1 ZINC001101400226 1024637181 /nfs/dbraw/zinc/63/71/81/1024637181.db2.gz MMNFDOOOKWNUSY-QUCCMNQESA-N 1 3 363.571 2.803 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(CC)cc3)C[C@@]2(C)C1 ZINC001101444129 1024757895 /nfs/dbraw/zinc/75/78/95/1024757895.db2.gz ZYRMEFHEIBMGJI-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(CC)cc3)C[C@@]2(C)C1 ZINC001101444129 1024757907 /nfs/dbraw/zinc/75/79/07/1024757907.db2.gz ZYRMEFHEIBMGJI-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101443911 1024758714 /nfs/dbraw/zinc/75/87/14/1024758714.db2.gz QCBJMAHWICANMJ-NUJGCVRESA-N 1 3 357.489 2.544 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101443911 1024758726 /nfs/dbraw/zinc/75/87/26/1024758726.db2.gz QCBJMAHWICANMJ-NUJGCVRESA-N 1 3 357.489 2.544 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@]2(C)C1 ZINC001101443549 1024759907 /nfs/dbraw/zinc/75/99/07/1024759907.db2.gz KAFQFRLAMXUFQK-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@]2(C)C1 ZINC001101443549 1024759914 /nfs/dbraw/zinc/75/99/14/1024759914.db2.gz KAFQFRLAMXUFQK-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001101477317 1024847245 /nfs/dbraw/zinc/84/72/45/1024847245.db2.gz NXXDXNDTRDSJPA-ZVJGUSEUSA-N 1 3 355.526 2.820 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001101477317 1024847265 /nfs/dbraw/zinc/84/72/65/1024847265.db2.gz NXXDXNDTRDSJPA-ZVJGUSEUSA-N 1 3 355.526 2.820 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC001218612583 1033245510 /nfs/dbraw/zinc/24/55/10/1033245510.db2.gz BTKOZPDKHYWAPY-AWEZNQCLSA-N 1 3 350.369 2.547 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638071160 1025690256 /nfs/dbraw/zinc/69/02/56/1025690256.db2.gz GFCGLFJNIBIDIG-UHFFFAOYSA-N 1 3 353.466 2.584 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]2C)C1 ZINC001102370120 1025826902 /nfs/dbraw/zinc/82/69/02/1025826902.db2.gz RKYVOGYZTJRHDL-ZUXCOXRESA-N 1 3 355.526 2.726 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]2C)C1 ZINC001102370120 1025826922 /nfs/dbraw/zinc/82/69/22/1025826922.db2.gz RKYVOGYZTJRHDL-ZUXCOXRESA-N 1 3 355.526 2.726 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102369634 1025829147 /nfs/dbraw/zinc/82/91/47/1025829147.db2.gz AVPMIQBWNRUXBS-LDQXTDLNSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102369634 1025829153 /nfs/dbraw/zinc/82/91/53/1025829153.db2.gz AVPMIQBWNRUXBS-LDQXTDLNSA-N 1 3 357.542 2.829 20 0 FFADHO CO[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)Cc1ccccc1 ZINC000638721096 1025949990 /nfs/dbraw/zinc/94/99/90/1025949990.db2.gz XBYIWKJMLUUCIA-HSZRJFAPSA-N 1 3 368.521 2.991 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1C ZINC001102472006 1026036253 /nfs/dbraw/zinc/03/62/53/1026036253.db2.gz CCOGYUOFDXLXBI-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1C ZINC001102472006 1026036275 /nfs/dbraw/zinc/03/62/75/1026036275.db2.gz CCOGYUOFDXLXBI-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C)C(C)C ZINC001102472439 1026037756 /nfs/dbraw/zinc/03/77/56/1026037756.db2.gz COKPVPRMXOCLEE-QWFCFKBJSA-N 1 3 360.546 2.632 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@]12CCCO2 ZINC000639311862 1026274485 /nfs/dbraw/zinc/27/44/85/1026274485.db2.gz QLXKWICXCAIJBB-NJDAHSKKSA-N 1 3 359.514 2.610 20 0 FFADHO COc1ncc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c2ccccc21 ZINC000639553777 1026365120 /nfs/dbraw/zinc/36/51/20/1026365120.db2.gz PQZBRWASQAWECH-DYESRHJHSA-N 1 3 368.525 2.701 20 0 FFADHO COc1ncc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c2ccccc21 ZINC000639553777 1026365129 /nfs/dbraw/zinc/36/51/29/1026365129.db2.gz PQZBRWASQAWECH-DYESRHJHSA-N 1 3 368.525 2.701 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102595973 1026388874 /nfs/dbraw/zinc/38/88/74/1026388874.db2.gz HHPYMCQVRSUEES-IEBWSBKVSA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102601006 1026400334 /nfs/dbraw/zinc/40/03/34/1026400334.db2.gz GSSGIIOVJLNDOH-MDYRTPRTSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102601006 1026400340 /nfs/dbraw/zinc/40/03/40/1026400340.db2.gz GSSGIIOVJLNDOH-MDYRTPRTSA-N 1 3 361.505 2.837 20 0 FFADHO CC[C@@H]1[C@H](CO)CCN1CC(C[N@@H+]1CC[C@@H](CO)[C@H]1CC)c1ccccc1 ZINC000639660120 1026422745 /nfs/dbraw/zinc/42/27/45/1026422745.db2.gz VDRNGWIIJOUALM-JFJDKTSWSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CCN1CC(C[N@H+]1CC[C@@H](CO)[C@H]1CC)c1ccccc1 ZINC000639660120 1026422747 /nfs/dbraw/zinc/42/27/47/1026422747.db2.gz VDRNGWIIJOUALM-JFJDKTSWSA-N 1 3 374.569 2.956 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760370 1026459924 /nfs/dbraw/zinc/45/99/24/1026459924.db2.gz WFHIHEKLQUKALT-IRXDYDNUSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001141663625 1026781185 /nfs/dbraw/zinc/78/11/85/1026781185.db2.gz JZVKXHUTSBPSFO-QIJUGHKUSA-N 1 3 365.521 2.969 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001141663625 1026781193 /nfs/dbraw/zinc/78/11/93/1026781193.db2.gz JZVKXHUTSBPSFO-QIJUGHKUSA-N 1 3 365.521 2.969 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001102977226 1026849645 /nfs/dbraw/zinc/84/96/45/1026849645.db2.gz RGSOGYVSAIASSJ-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001102977226 1026849652 /nfs/dbraw/zinc/84/96/52/1026849652.db2.gz RGSOGYVSAIASSJ-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087190 1026947952 /nfs/dbraw/zinc/94/79/52/1026947952.db2.gz ACIWNLGHXJCAOZ-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103087190 1026947956 /nfs/dbraw/zinc/94/79/56/1026947956.db2.gz ACIWNLGHXJCAOZ-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090536 1026952542 /nfs/dbraw/zinc/95/25/42/1026952542.db2.gz XNFBGBRAEMZQOZ-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090536 1026952545 /nfs/dbraw/zinc/95/25/45/1026952545.db2.gz XNFBGBRAEMZQOZ-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO CN1CCC(N(c2ccc3cc(Cl)cnc3n2)C2CC[NH2+]CC2)CC1 ZINC001158581004 1027065834 /nfs/dbraw/zinc/06/58/34/1027065834.db2.gz MMVMLEWELCPJFV-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO CCc1nc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c(Cl)nc1C ZINC001158590685 1027070652 /nfs/dbraw/zinc/07/06/52/1027070652.db2.gz HQEOLOQVSHGCLV-UHFFFAOYSA-N 1 3 351.926 2.653 20 0 FFADHO c1cnc(OCC2CC[NH2+]CC2)c(NC2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001159295640 1027344005 /nfs/dbraw/zinc/34/40/05/1027344005.db2.gz IKPVWDJRNFEGMF-IBGZPJMESA-N 1 3 372.513 2.641 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248064591 1027380440 /nfs/dbraw/zinc/38/04/40/1027380440.db2.gz MCYZHJQBAQCOQI-KSZLIROESA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248064591 1027380453 /nfs/dbraw/zinc/38/04/53/1027380453.db2.gz MCYZHJQBAQCOQI-KSZLIROESA-N 1 3 369.550 2.722 20 0 FFADHO COc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C)n1 ZINC001159460458 1027397072 /nfs/dbraw/zinc/39/70/72/1027397072.db2.gz JWZROEUSXBNXGI-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO Nc1nc(Cl)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159459943 1027398241 /nfs/dbraw/zinc/39/82/41/1027398241.db2.gz ICYAWYJOMSBTNI-UHFFFAOYSA-N 1 3 370.888 2.622 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CCCCC1)[C@H]2C ZINC001159634562 1027451026 /nfs/dbraw/zinc/45/10/26/1027451026.db2.gz ZHTZBIVVDUIPJP-YJBOKZPZSA-N 1 3 361.534 2.534 20 0 FFADHO C[C@@H]1C[N@H+](CCCF)C[C@H]1CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001103435836 1027477543 /nfs/dbraw/zinc/47/75/43/1027477543.db2.gz BFPQYYWXPQKDMZ-MDZRGWNJSA-N 1 3 359.505 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](CCCF)C[C@H]1CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001103435836 1027477548 /nfs/dbraw/zinc/47/75/48/1027477548.db2.gz BFPQYYWXPQKDMZ-MDZRGWNJSA-N 1 3 359.505 2.633 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001103436399 1027481055 /nfs/dbraw/zinc/48/10/55/1027481055.db2.gz WPKIBUSOGOFCQD-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001103436399 1027481063 /nfs/dbraw/zinc/48/10/63/1027481063.db2.gz WPKIBUSOGOFCQD-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1C)N(C)C ZINC001103443760 1027491718 /nfs/dbraw/zinc/49/17/18/1027491718.db2.gz KZOYHPMZCBWHNP-OGWOLHLISA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1C)N(C)C ZINC001103443760 1027491720 /nfs/dbraw/zinc/49/17/20/1027491720.db2.gz KZOYHPMZCBWHNP-OGWOLHLISA-N 1 3 367.484 2.879 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001159784411 1027499003 /nfs/dbraw/zinc/49/90/03/1027499003.db2.gz INFYLIGNNRJNQQ-JTQLQIEISA-N 1 3 350.200 2.599 20 0 FFADHO CN1CCN(Cc2ccc(Nc3ccccc3N3CC[NH2+]CC3)cc2)CC1 ZINC001159813251 1027507879 /nfs/dbraw/zinc/50/78/79/1027507879.db2.gz ZIOGQESUJAOQBX-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001160152853 1027610791 /nfs/dbraw/zinc/61/07/91/1027610791.db2.gz INPMIWZWZMGMRB-WIYYLYMNSA-N 1 3 357.542 2.882 20 0 FFADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001160152853 1027610795 /nfs/dbraw/zinc/61/07/95/1027610795.db2.gz INPMIWZWZMGMRB-WIYYLYMNSA-N 1 3 357.542 2.882 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001160499311 1027729306 /nfs/dbraw/zinc/72/93/06/1027729306.db2.gz YOGBYENRBCZFSO-IEBWSBKVSA-N 1 3 352.482 2.706 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001160499311 1027729325 /nfs/dbraw/zinc/72/93/25/1027729325.db2.gz YOGBYENRBCZFSO-IEBWSBKVSA-N 1 3 352.482 2.706 20 0 FFADHO C[NH2+]CCC(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160684632 1027801908 /nfs/dbraw/zinc/80/19/08/1027801908.db2.gz XCJOPGBCZUCUSU-NRFANRHFSA-N 1 3 351.494 2.899 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001160974614 1027953504 /nfs/dbraw/zinc/95/35/04/1027953504.db2.gz CQEPBRQALSUVMY-PVUWLOKVSA-N 1 3 356.297 2.550 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)c1ccccc1 ZINC001161001655 1027967572 /nfs/dbraw/zinc/96/75/72/1027967572.db2.gz YXOXKBRHBUVYDM-UXHICEINSA-N 1 3 373.541 2.565 20 0 FFADHO NC(C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1)C(F)(F)F ZINC001161057117 1027989582 /nfs/dbraw/zinc/98/95/82/1027989582.db2.gz QZXAIKRSYVAIDP-JKSUJKDBSA-N 1 3 355.404 2.532 20 0 FFADHO NC(C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)C(F)(F)F ZINC001161057117 1027989607 /nfs/dbraw/zinc/98/96/07/1027989607.db2.gz QZXAIKRSYVAIDP-JKSUJKDBSA-N 1 3 355.404 2.532 20 0 FFADHO O=C(C1CCCC1)N1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000643463155 1028011027 /nfs/dbraw/zinc/01/10/27/1028011027.db2.gz HRDCCGGHCOAQIU-LQBOVUBWSA-N 1 3 369.509 2.623 20 0 FFADHO Cc1cnc(NCC2CCN(Cc3ccccc3F)CC2)nc1C1C[NH2+]C1 ZINC001161201668 1028064740 /nfs/dbraw/zinc/06/47/40/1028064740.db2.gz OODYQQUTPJSUAQ-UHFFFAOYSA-N 1 3 369.488 2.935 20 0 FFADHO Cc1cc(F)cc(CN(C(=O)C[C@@H]2CCNC[C@@H]2F)C2CC[NH2+]CC2)c1 ZINC001161281607 1028112600 /nfs/dbraw/zinc/11/26/00/1028112600.db2.gz JFMZCLNJEHDYCC-LPHOPBHVSA-N 1 3 365.468 2.552 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2cc(Cl)nc3c2CCNC3)CC1 ZINC001161365827 1028146787 /nfs/dbraw/zinc/14/67/87/1028146787.db2.gz MQUYVWRTNJKLPP-JOCQHMNTSA-N 1 3 358.877 2.579 20 0 FFADHO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161388387 1028154637 /nfs/dbraw/zinc/15/46/37/1028154637.db2.gz IOTCVHBQQBIELS-KCZVDYSFSA-N 1 3 357.542 2.836 20 0 FFADHO CN(C)CCN(C(=O)c1c[nH]c(-c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC001161449809 1028179434 /nfs/dbraw/zinc/17/94/34/1028179434.db2.gz SSCQYYSZBSHSAA-SFHVURJKSA-N 1 3 358.461 2.577 20 0 FFADHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161447587 1028179881 /nfs/dbraw/zinc/17/98/81/1028179881.db2.gz YDKCPRLWIXJIOQ-FUMNGEBKSA-N 1 3 367.578 2.606 20 0 FFADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(c2csc3ccccc32)CC1 ZINC001161453941 1028184122 /nfs/dbraw/zinc/18/41/22/1028184122.db2.gz OAVCDKSTBIXLDL-INIZCTEOSA-N 1 3 363.552 2.627 20 0 FFADHO Cc1cnc2c(ccc(Cl)c2C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001161452488 1028184695 /nfs/dbraw/zinc/18/46/95/1028184695.db2.gz SGYVCFBDQBZFDG-MRXNPFEDSA-N 1 3 374.916 2.952 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001161467936 1028189694 /nfs/dbraw/zinc/18/96/94/1028189694.db2.gz HXUSKBMLGBKBLM-IRXDYDNUSA-N 1 3 353.457 2.697 20 0 FFADHO C[C@@H]1OC2(CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2)c2ccccc21 ZINC001161499341 1028202616 /nfs/dbraw/zinc/20/26/16/1028202616.db2.gz FYQWORISNYCTMI-LPHOPBHVSA-N 1 3 359.514 2.655 20 0 FFADHO CN(Cc1ccc(NC2(Cc3ccccn3)CC[NH2+]CC2)nc1)C1CC1 ZINC001161496496 1028203135 /nfs/dbraw/zinc/20/31/35/1028203135.db2.gz QQLWJZFKBDRRHP-UHFFFAOYSA-N 1 3 351.498 2.848 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC000644161009 1028347988 /nfs/dbraw/zinc/34/79/88/1028347988.db2.gz XYRUPTYOTAJTBY-IFMALSPDSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC000644161009 1028348000 /nfs/dbraw/zinc/34/80/00/1028348000.db2.gz XYRUPTYOTAJTBY-IFMALSPDSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]Cc1cc(F)ccc1F ZINC001104000226 1028464220 /nfs/dbraw/zinc/46/42/20/1028464220.db2.gz ZRXDWBUAKOGKRT-CLCXKQKWSA-N 1 3 365.468 2.633 20 0 FFADHO FC(F)(F)c1nn(-c2ncccc2C[NH+]2CCCC2)c2c1CNCC2 ZINC001154854588 1028486082 /nfs/dbraw/zinc/48/60/82/1028486082.db2.gz HYYARBXDYBIWHK-UHFFFAOYSA-N 1 3 351.376 2.528 20 0 FFADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1ccccc1 ZINC000644519261 1028516272 /nfs/dbraw/zinc/51/62/72/1028516272.db2.gz GVTWOJFSBSBRQT-QFIPXVFZSA-N 1 3 354.494 2.950 20 0 FFADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc([C@@H]2CCCCN2C)cn1 ZINC001162728753 1028636042 /nfs/dbraw/zinc/63/60/42/1028636042.db2.gz HHRJNDLXGUTACE-ROUUACIJSA-N 1 3 362.518 2.782 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001162778956 1028654040 /nfs/dbraw/zinc/65/40/40/1028654040.db2.gz RYUXGZYQXCVWMV-ZDUSSCGKSA-N 1 3 361.449 2.619 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782702 1029437361 /nfs/dbraw/zinc/43/73/61/1029437361.db2.gz UYPQXUCKIPDCON-VWPQPMDRSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782702 1029437372 /nfs/dbraw/zinc/43/73/72/1029437372.db2.gz UYPQXUCKIPDCON-VWPQPMDRSA-N 1 3 370.541 2.735 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111795930 1029472549 /nfs/dbraw/zinc/47/25/49/1029472549.db2.gz LSKIKTHACKYDTD-QKLQHJQFSA-N 1 3 362.493 2.627 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cnc4c(Cl)cccc4n3)CC2)CC1 ZINC001157837870 1029672810 /nfs/dbraw/zinc/67/28/10/1029672810.db2.gz JTVYWWREZGUTGP-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO COc1cccc2ccc(N3CCN(CC4CC[NH+](C)CC4)CC3)nc21 ZINC001157837297 1029673064 /nfs/dbraw/zinc/67/30/64/1029673064.db2.gz RUPQSUZPRJHHIA-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC001157841683 1029673980 /nfs/dbraw/zinc/67/39/80/1029673980.db2.gz JLTWYENYNYKIQS-UHFFFAOYSA-N 1 3 357.527 2.669 20 0 FFADHO Cc1ccc(Oc2nc(Cl)ncc2NC(=N)N2CC[NH+](C)CC2)cc1 ZINC001157915656 1029685192 /nfs/dbraw/zinc/68/51/92/1029685192.db2.gz CULZBDHXYPTRFT-UHFFFAOYSA-N 1 3 360.849 2.825 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3nnc(Cl)c4ccc(Cl)cc43)CC2)C1 ZINC001158270488 1029781054 /nfs/dbraw/zinc/78/10/54/1029781054.db2.gz TYPPFFJZOCKDEE-GFCCVEGCSA-N 1 3 366.296 2.938 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3nnc(Cl)c4ccc(Cl)cc43)CC2)C1 ZINC001158270488 1029781060 /nfs/dbraw/zinc/78/10/60/1029781060.db2.gz TYPPFFJZOCKDEE-GFCCVEGCSA-N 1 3 366.296 2.938 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2c(F)cccc2Cl)CC[N@@H+]1C ZINC001158403363 1029820111 /nfs/dbraw/zinc/82/01/11/1029820111.db2.gz GSPJCAYFXPNWFP-SUMWQHHRSA-N 1 3 355.885 2.805 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2c(F)cccc2Cl)CC[N@H+]1C ZINC001158403363 1029820114 /nfs/dbraw/zinc/82/01/14/1029820114.db2.gz GSPJCAYFXPNWFP-SUMWQHHRSA-N 1 3 355.885 2.805 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005205 1029853506 /nfs/dbraw/zinc/85/35/06/1029853506.db2.gz ZGTXOYPCBNXDIY-UNMCSNQZSA-N 1 3 370.541 2.737 20 0 FFADHO C[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201649 1029888997 /nfs/dbraw/zinc/88/89/97/1029888997.db2.gz IOOYVUXLDMKAEP-MOPGFXCFSA-N 1 3 365.525 2.590 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)C1 ZINC000841007197 1029971225 /nfs/dbraw/zinc/97/12/25/1029971225.db2.gz DGIIQDDLKIKIRY-MRXNPFEDSA-N 1 3 354.498 2.545 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113129 1030035456 /nfs/dbraw/zinc/03/54/56/1030035456.db2.gz FPSBEGDYLJXKSZ-HUUCEWRRSA-N 1 3 363.468 2.886 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114146 1030036388 /nfs/dbraw/zinc/03/63/88/1030036388.db2.gz BAXLOQWKUUNOMS-WRANKLGHSA-N 1 3 361.452 2.662 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116346 1030041533 /nfs/dbraw/zinc/04/15/33/1030041533.db2.gz ZQGWXZRZEPZMMA-KSLSASGISA-N 1 3 361.452 2.806 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841321159 1030193377 /nfs/dbraw/zinc/19/33/77/1030193377.db2.gz ATGIQEUOARZYCR-UHFFFAOYSA-N 1 3 357.502 2.646 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Oc2ccccc2)cn1 ZINC001166247302 1030318162 /nfs/dbraw/zinc/31/81/62/1030318162.db2.gz FCVBINDETXMPLT-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Oc2ccccc2)cn1 ZINC001166247302 1030318175 /nfs/dbraw/zinc/31/81/75/1030318175.db2.gz FCVBINDETXMPLT-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](NC(=O)C2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC001142349626 1030337468 /nfs/dbraw/zinc/33/74/68/1030337468.db2.gz FBCQBQIIVVXQGT-XLIONFOSSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[N@H+]1CC[C@H](NC(=O)C2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC001142349626 1030337482 /nfs/dbraw/zinc/33/74/82/1030337482.db2.gz FBCQBQIIVVXQGT-XLIONFOSSA-N 1 3 358.530 2.529 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCOC(C)C)C1 ZINC001112436722 1030806041 /nfs/dbraw/zinc/80/60/41/1030806041.db2.gz BMTKPJZEHKHKNG-RXVVDRJESA-N 1 3 367.578 2.750 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCC(C)C)C1 ZINC001112437078 1030807980 /nfs/dbraw/zinc/80/79/80/1030807980.db2.gz WJIGIQBPXILVGG-RXVVDRJESA-N 1 3 367.578 2.608 20 0 FFADHO Cc1ccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c(C)c1 ZINC001203732733 1030851319 /nfs/dbraw/zinc/85/13/19/1030851319.db2.gz WFAPSPLEFLQCTQ-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO Cc1ccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c(C)c1 ZINC001203732733 1030851333 /nfs/dbraw/zinc/85/13/33/1030851333.db2.gz WFAPSPLEFLQCTQ-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO Cc1nn(C)c(C)c1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001204047612 1031057935 /nfs/dbraw/zinc/05/79/35/1031057935.db2.gz GSUTZQWRYXOGPT-CDHQVMDDSA-N 1 3 356.514 2.713 20 0 FFADHO Cc1nn(C)c(C)c1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001204047612 1031057956 /nfs/dbraw/zinc/05/79/56/1031057956.db2.gz GSUTZQWRYXOGPT-CDHQVMDDSA-N 1 3 356.514 2.713 20 0 FFADHO Cn1cc(CN2CCC[C@](O)(C[NH3+])CC2)c2cc(Br)ccc21 ZINC001205220917 1031606686 /nfs/dbraw/zinc/60/66/86/1031606686.db2.gz NQNIYKJIXVUVDL-QGZVFWFLSA-N 1 3 366.303 2.617 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001223182069 1033323296 /nfs/dbraw/zinc/32/32/96/1033323296.db2.gz UPQRREDWWVOZCQ-YZGWKJHDSA-N 1 3 365.537 2.923 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001223182069 1033323306 /nfs/dbraw/zinc/32/33/06/1033323306.db2.gz UPQRREDWWVOZCQ-YZGWKJHDSA-N 1 3 365.537 2.923 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nc(F)c(F)c(Cl)c1F ZINC001218758005 1033326475 /nfs/dbraw/zinc/32/64/75/1033326475.db2.gz ZDTRPBAYFOGWJR-QMMMGPOBSA-N 1 3 352.788 2.586 20 0 FFADHO CC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1Cl ZINC001218873501 1033390128 /nfs/dbraw/zinc/39/01/28/1033390128.db2.gz LPZBFUQESKCHAH-HNNXBMFYSA-N 1 3 354.882 2.733 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)CC1 ZINC001223378892 1033418620 /nfs/dbraw/zinc/41/86/20/1033418620.db2.gz ONYASJCHXMJKID-ULJFZEHQSA-N 1 3 367.537 2.964 20 0 FFADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219118148 1033523644 /nfs/dbraw/zinc/52/36/44/1033523644.db2.gz IJTHFSNWWDVWHN-RTWAWAEBSA-N 1 3 364.493 2.918 20 0 FFADHO CC(C)Oc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(Cl)cc1Cl ZINC001219124166 1033524401 /nfs/dbraw/zinc/52/44/01/1033524401.db2.gz IHJJKZDEDNABCH-SNVBAGLBSA-N 1 3 358.269 2.528 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001223961999 1033660791 /nfs/dbraw/zinc/66/07/91/1033660791.db2.gz FMNVLWQXKLJLRG-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001223961999 1033660798 /nfs/dbraw/zinc/66/07/98/1033660798.db2.gz FMNVLWQXKLJLRG-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO [NH3+][C@H]1CC[C@H](CC(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001219669320 1033740394 /nfs/dbraw/zinc/74/03/94/1033740394.db2.gz UPLBXCWNCUBLAZ-XUTJKUGGSA-N 1 3 357.542 2.965 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001224227324 1033783677 /nfs/dbraw/zinc/78/36/77/1033783677.db2.gz HOIHIGCMOWNSLG-CVEARBPZSA-N 1 3 361.452 2.738 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000831584608 1034137638 /nfs/dbraw/zinc/13/76/38/1034137638.db2.gz AUWXVJDQHGOWCN-FQEVSTJZSA-N 1 3 373.541 2.657 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000831584608 1034137649 /nfs/dbraw/zinc/13/76/49/1034137649.db2.gz AUWXVJDQHGOWCN-FQEVSTJZSA-N 1 3 373.541 2.657 20 0 FFADHO CCCN(C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC001220615345 1034287264 /nfs/dbraw/zinc/28/72/64/1034287264.db2.gz ZLTYYTSZAJDSKM-RBUKOAKNSA-N 1 3 352.567 2.869 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001220618627 1034294336 /nfs/dbraw/zinc/29/43/36/1034294336.db2.gz ABAAXTCLYDPALI-RTWAWAEBSA-N 1 3 372.557 2.997 20 0 FFADHO CC1CCN(CCNC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC001220634670 1034311714 /nfs/dbraw/zinc/31/17/14/1034311714.db2.gz YXVANESZMQWTIV-OAQYLSRUSA-N 1 3 372.557 2.677 20 0 FFADHO CC1CCN(CCNC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC001220634670 1034311725 /nfs/dbraw/zinc/31/17/25/1034311725.db2.gz YXVANESZMQWTIV-OAQYLSRUSA-N 1 3 372.557 2.677 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001220681133 1034336365 /nfs/dbraw/zinc/33/63/65/1034336365.db2.gz WXCQBQUOESLEFE-FAJBIJEISA-N 1 3 359.514 2.523 20 0 FFADHO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)CC1 ZINC001220982383 1034490347 /nfs/dbraw/zinc/49/03/47/1034490347.db2.gz DBFWYUIGNGDCHW-HIFRSBDPSA-N 1 3 373.394 2.533 20 0 FFADHO [NH3+]C[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221063121 1034532221 /nfs/dbraw/zinc/53/22/21/1034532221.db2.gz MVUJAFVOWQSBIU-SFTDATJTSA-N 1 3 351.494 2.585 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297134 1034617627 /nfs/dbraw/zinc/61/76/27/1034617627.db2.gz QIJBSMMPBOWIHY-RBSFLKMASA-N 1 3 360.329 2.664 20 0 FFADHO COc1ccnc(O[C@@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC001138773787 1034641068 /nfs/dbraw/zinc/64/10/68/1034641068.db2.gz NTLZFDJRLZVKJR-HXUWFJFHSA-N 1 3 371.481 2.684 20 0 FFADHO O=C(N[C@@H]1C[NH2+]CC[C@H]1F)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001221367244 1034692086 /nfs/dbraw/zinc/69/20/86/1034692086.db2.gz OLFPAMCQRYGJDI-WOJBJXKFSA-N 1 3 367.468 2.524 20 0 FFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226801423 1034846468 /nfs/dbraw/zinc/84/64/68/1034846468.db2.gz WYDAPFHRZYSDHC-AQNXPRMDSA-N 1 3 361.505 2.991 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)sn1 ZINC001226891359 1034875251 /nfs/dbraw/zinc/87/52/51/1034875251.db2.gz UUCNSDXGTRXXHT-KBAYOESNSA-N 1 3 364.559 2.843 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001226891359 1034875255 /nfs/dbraw/zinc/87/52/55/1034875255.db2.gz UUCNSDXGTRXXHT-KBAYOESNSA-N 1 3 364.559 2.843 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1N(C)C)N(C)C ZINC001227057138 1034922009 /nfs/dbraw/zinc/92/20/09/1034922009.db2.gz OFNKFUYBSQCWMY-GUDVDZBRSA-N 1 3 360.546 2.610 20 0 FFADHO CCO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC)C1CC1 ZINC001227149691 1034950055 /nfs/dbraw/zinc/95/00/55/1034950055.db2.gz CWUNPZJHQTYXMX-KURKYZTESA-N 1 3 353.551 2.549 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC001227150588 1034951239 /nfs/dbraw/zinc/95/12/39/1034951239.db2.gz UYFKZNWMRDKGHX-HZPDHXFCSA-N 1 3 350.507 2.539 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC001227150588 1034951247 /nfs/dbraw/zinc/95/12/47/1034951247.db2.gz UYFKZNWMRDKGHX-HZPDHXFCSA-N 1 3 350.507 2.539 20 0 FFADHO CCCN(CCC[NH+](C)C)Cc1cccc(OCCN2CCOCC2)c1 ZINC001139768989 1035225412 /nfs/dbraw/zinc/22/54/12/1035225412.db2.gz QMGWANXINUXPLQ-UHFFFAOYSA-N 1 3 363.546 2.561 20 0 FFADHO CCC[N@H+](CCCN(C)C)Cc1cccc(OCCN2CCOCC2)c1 ZINC001139768989 1035225417 /nfs/dbraw/zinc/22/54/17/1035225417.db2.gz QMGWANXINUXPLQ-UHFFFAOYSA-N 1 3 363.546 2.561 20 0 FFADHO CCC[N@@H+](CCCN(C)C)Cc1cccc(OCCN2CCOCC2)c1 ZINC001139768989 1035225420 /nfs/dbraw/zinc/22/54/20/1035225420.db2.gz QMGWANXINUXPLQ-UHFFFAOYSA-N 1 3 363.546 2.561 20 0 FFADHO CCN1C[C@H](N[C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)CC1=O ZINC000834888941 1035469578 /nfs/dbraw/zinc/46/95/78/1035469578.db2.gz DBACRKJJNYCGKT-VQIMIIECSA-N 1 3 359.514 2.953 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC001228254658 1036014103 /nfs/dbraw/zinc/01/41/03/1036014103.db2.gz DYUAAGWXXBRJHG-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO Cn1cnc2ccc(C[N@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)cc21 ZINC001140737487 1036018436 /nfs/dbraw/zinc/01/84/36/1036018436.db2.gz SQGCQEZQNJJFEX-DENIHFKCSA-N 1 3 368.525 2.754 20 0 FFADHO Cn1cnc2ccc(C[N@@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)cc21 ZINC001140737487 1036018460 /nfs/dbraw/zinc/01/84/60/1036018460.db2.gz SQGCQEZQNJJFEX-DENIHFKCSA-N 1 3 368.525 2.754 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)c1F ZINC001228366964 1036072485 /nfs/dbraw/zinc/07/24/85/1036072485.db2.gz YEWCVWXQSMQIJR-HZPDHXFCSA-N 1 3 355.885 2.948 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228647013 1036230248 /nfs/dbraw/zinc/23/02/48/1036230248.db2.gz NARAJCDZFMUDOJ-QZTJIDSGSA-N 1 3 355.567 2.796 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C)N(C)C ZINC001228661900 1036240728 /nfs/dbraw/zinc/24/07/28/1036240728.db2.gz ZSRWOZWOXDLGDW-QRVBRYPASA-N 1 3 361.530 2.731 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001228932247 1036415309 /nfs/dbraw/zinc/41/53/09/1036415309.db2.gz KWRXVEFQMKVBHN-AQNXPRMDSA-N 1 3 367.578 2.939 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H](C)O ZINC001229180911 1036535335 /nfs/dbraw/zinc/53/53/35/1036535335.db2.gz NZHZYYZTOHEMGL-GUDVDZBRSA-N 1 3 355.567 2.677 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C(C)C)nc1C ZINC001229239393 1036569645 /nfs/dbraw/zinc/56/96/45/1036569645.db2.gz YLSBMIQTAUIIGL-RTBURBONSA-N 1 3 363.550 2.631 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3cccc4occc43)CC2)C1=O ZINC001277809729 1036775356 /nfs/dbraw/zinc/77/53/56/1036775356.db2.gz DGKSUYVFWGJVHP-UHFFFAOYSA-N 1 3 355.482 2.809 20 0 FFADHO COc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC001230864100 1037382762 /nfs/dbraw/zinc/38/27/62/1037382762.db2.gz RISLJZADUPHGKN-DLBZAZTESA-N 1 3 364.534 2.636 20 0 FFADHO COc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC001230864100 1037382776 /nfs/dbraw/zinc/38/27/76/1037382776.db2.gz RISLJZADUPHGKN-DLBZAZTESA-N 1 3 364.534 2.636 20 0 FFADHO COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001207617739 1037608242 /nfs/dbraw/zinc/60/82/42/1037608242.db2.gz YEUBEIQFDJVBRC-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001207617739 1037608252 /nfs/dbraw/zinc/60/82/52/1037608252.db2.gz YEUBEIQFDJVBRC-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO c1ccc(O[C@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)[C@@H]3CCCO[C@@H]32)nc1 ZINC001235541900 1037616543 /nfs/dbraw/zinc/61/65/43/1037616543.db2.gz RFXRRVIXPNDNMV-URVUXULASA-N 1 3 365.477 2.538 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001207652588 1037631758 /nfs/dbraw/zinc/63/17/58/1037631758.db2.gz AQJSFHFVXJZIFY-LZQZEXGQSA-N 1 3 365.949 2.905 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001207652588 1037631762 /nfs/dbraw/zinc/63/17/62/1037631762.db2.gz AQJSFHFVXJZIFY-LZQZEXGQSA-N 1 3 365.949 2.905 20 0 FFADHO c1c(CN2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001235611461 1037645220 /nfs/dbraw/zinc/64/52/20/1037645220.db2.gz XOYNHXKZGVECGY-PKOBYXMFSA-N 1 3 369.534 2.731 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CN2CCC1CC2)CC(F)(F)F ZINC001207723364 1037677228 /nfs/dbraw/zinc/67/72/28/1037677228.db2.gz HYZMCRMZMSRCFY-UONOGXRCSA-N 1 3 365.440 2.764 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235714946 1037705356 /nfs/dbraw/zinc/70/53/56/1037705356.db2.gz NBCNEEMDVMNXLP-HXUWFJFHSA-N 1 3 364.537 2.803 20 0 FFADHO COC(=O)c1ccc(-c2ccc(CN3C[C@H]4COC[C@@H](C3)C4[NH3+])cc2)cc1 ZINC001236001932 1037882358 /nfs/dbraw/zinc/88/23/58/1037882358.db2.gz OKKKATZFAHQBAZ-WCRBZPEASA-N 1 3 366.461 2.546 20 0 FFADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207959858 1037892466 /nfs/dbraw/zinc/89/24/66/1037892466.db2.gz MSHLRHUJFQRLKG-SFTDATJTSA-N 1 3 373.541 2.954 20 0 FFADHO CCOC(=O)[C@]12CN(Cc3ccc(O)c4ccccc34)C[C@H]1C[NH2+]CC2 ZINC001236038527 1037900624 /nfs/dbraw/zinc/90/06/24/1037900624.db2.gz KOCMYJCJIQMUAB-IIBYNOLFSA-N 1 3 354.450 2.520 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccccc3SC)CC[C@@H]2C1 ZINC001231781952 1037904000 /nfs/dbraw/zinc/90/40/00/1037904000.db2.gz BEDKERQFIWMLOC-SJLPKXTDSA-N 1 3 350.528 2.578 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccccc3SC)CC[C@@H]2C1 ZINC001231781952 1037904016 /nfs/dbraw/zinc/90/40/16/1037904016.db2.gz BEDKERQFIWMLOC-SJLPKXTDSA-N 1 3 350.528 2.578 20 0 FFADHO CCc1sc(CN2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC001236127529 1037944551 /nfs/dbraw/zinc/94/45/51/1037944551.db2.gz KNACDWIVSSGVES-UHFFFAOYSA-N 1 3 372.376 2.943 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001255486820 1037966541 /nfs/dbraw/zinc/96/65/41/1037966541.db2.gz XIULVGHTZHXEML-MOPGFXCFSA-N 1 3 364.484 2.709 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001255486820 1037966559 /nfs/dbraw/zinc/96/65/59/1037966559.db2.gz XIULVGHTZHXEML-MOPGFXCFSA-N 1 3 364.484 2.709 20 0 FFADHO COc1cc(Br)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1OC ZINC001236314496 1038039500 /nfs/dbraw/zinc/03/95/00/1038039500.db2.gz OXCKZOLMLOOEGC-BETUJISGSA-N 1 3 369.303 2.898 20 0 FFADHO COc1cc(OC)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236320199 1038040644 /nfs/dbraw/zinc/04/06/44/1038040644.db2.gz LVFLRZMXLCAADB-BETUJISGSA-N 1 3 369.303 2.898 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CCN1C ZINC001255630712 1038091109 /nfs/dbraw/zinc/09/11/09/1038091109.db2.gz QJXJLNJBMYDVKG-PBHICJAKSA-N 1 3 352.910 2.506 20 0 FFADHO COc1ccc(CN(C[C@H]2[C@H](C)CNCC2(F)F)C2CC[NH2+]CC2)cc1 ZINC001236441140 1038092290 /nfs/dbraw/zinc/09/22/90/1038092290.db2.gz RNBHFHMXINUVDK-BEFAXECRSA-N 1 3 367.484 2.740 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1)CC1CC1 ZINC001255631586 1038092859 /nfs/dbraw/zinc/09/28/59/1038092859.db2.gz YXIYVAXWVJHRGL-QFBILLFUSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1)CC1CC1 ZINC001255631586 1038092876 /nfs/dbraw/zinc/09/28/76/1038092876.db2.gz YXIYVAXWVJHRGL-QFBILLFUSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc3cnccc3[nH]2)C[C@]12CCN(c1cccnc1)C2=O ZINC001232012940 1038105955 /nfs/dbraw/zinc/10/59/55/1038105955.db2.gz AVGYEIZMZXQMGC-QVKFZJNVSA-N 1 3 361.449 2.833 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc3cnccc3[nH]2)C[C@]12CCN(c1cccnc1)C2=O ZINC001232012940 1038105962 /nfs/dbraw/zinc/10/59/62/1038105962.db2.gz AVGYEIZMZXQMGC-QVKFZJNVSA-N 1 3 361.449 2.833 20 0 FFADHO CC[NH+](CC)CCCN1CCN(Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232146176 1038195394 /nfs/dbraw/zinc/19/53/94/1038195394.db2.gz KLGPORARENADCZ-UHFFFAOYSA-N 1 3 364.553 2.737 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001208515300 1038376445 /nfs/dbraw/zinc/37/64/45/1038376445.db2.gz HHYFIMWXRVOSEW-DUXKGJEZSA-N 1 3 359.558 2.814 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001208515300 1038376456 /nfs/dbraw/zinc/37/64/56/1038376456.db2.gz HHYFIMWXRVOSEW-DUXKGJEZSA-N 1 3 359.558 2.814 20 0 FFADHO [NH3+]CCCCN1CCN([C@H]2CCc3cccc(Br)c3C2)CC1 ZINC001256130264 1038398813 /nfs/dbraw/zinc/39/88/13/1038398813.db2.gz BNQXTFUPBVLMHP-INIZCTEOSA-N 1 3 366.347 2.663 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001208598471 1038436959 /nfs/dbraw/zinc/43/69/59/1038436959.db2.gz BMQUBFRDPWAKNJ-SLFFLAALSA-N 1 3 359.514 2.672 20 0 FFADHO FC1(CN2CC[C@@H](Oc3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC001237178242 1038465625 /nfs/dbraw/zinc/46/56/25/1038465625.db2.gz DFJWNQFYEKPJEE-OAHLLOKOSA-N 1 3 357.267 2.994 20 0 FFADHO COCCC1([NH3+])CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001256461978 1038522403 /nfs/dbraw/zinc/52/24/03/1038522403.db2.gz IRYYVKQYCDGSAH-CVEARBPZSA-N 1 3 355.523 2.604 20 0 FFADHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[NH+]3CC(CO)C3)CC2)cc1 ZINC001208819058 1038541768 /nfs/dbraw/zinc/54/17/68/1038541768.db2.gz ZTXUFCHOQIGOGD-UHFFFAOYSA-N 1 3 374.525 2.778 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCN(c3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001256566583 1038563167 /nfs/dbraw/zinc/56/31/67/1038563167.db2.gz WSAOFGJZICTWOG-CQSZACIVSA-N 1 3 371.451 2.927 20 0 FFADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208937455 1038594139 /nfs/dbraw/zinc/59/41/39/1038594139.db2.gz WHQUYIVANAXYGW-UWHLTILDSA-N 1 3 355.526 2.601 20 0 FFADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208937455 1038594143 /nfs/dbraw/zinc/59/41/43/1038594143.db2.gz WHQUYIVANAXYGW-UWHLTILDSA-N 1 3 355.526 2.601 20 0 FFADHO CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937767 1038594573 /nfs/dbraw/zinc/59/45/73/1038594573.db2.gz TXXBITYGVZLGQU-IFMALSPDSA-N 1 3 355.526 2.985 20 0 FFADHO CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937767 1038594574 /nfs/dbraw/zinc/59/45/74/1038594574.db2.gz TXXBITYGVZLGQU-IFMALSPDSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256676745 1038598460 /nfs/dbraw/zinc/59/84/60/1038598460.db2.gz IAHDQAMGPGHPMY-HFFNAHSWSA-N 1 3 367.534 2.523 20 0 FFADHO C[C@@H]1[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256676703 1038598600 /nfs/dbraw/zinc/59/86/00/1038598600.db2.gz HLWGYBDJKDYMGM-AQEOSJORSA-N 1 3 367.534 2.617 20 0 FFADHO Brc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cn1 ZINC001256683424 1038601375 /nfs/dbraw/zinc/60/13/75/1038601375.db2.gz AWLCHKFVYZMYHH-UHFFFAOYSA-N 1 3 368.319 2.620 20 0 FFADHO CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683580 1038601571 /nfs/dbraw/zinc/60/15/71/1038601571.db2.gz FEXURFORNHOLSR-GTPINHCMSA-N 1 3 355.523 2.523 20 0 FFADHO CN(C)C(=O)[C@@H]1CC12CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208950898 1038601999 /nfs/dbraw/zinc/60/19/99/1038601999.db2.gz FYKCJBKNUODLPJ-UXHICEINSA-N 1 3 355.526 2.699 20 0 FFADHO CN(C)C(=O)[C@@H]1CC12CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208950898 1038602003 /nfs/dbraw/zinc/60/20/03/1038602003.db2.gz FYKCJBKNUODLPJ-UXHICEINSA-N 1 3 355.526 2.699 20 0 FFADHO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687036 1038602705 /nfs/dbraw/zinc/60/27/05/1038602705.db2.gz KPCAKXNADFJIIK-BIZGZAPZSA-N 1 3 365.562 2.693 20 0 FFADHO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2C[C@H]1CCN(Cc2ccccc2)C1 ZINC001208950191 1038602831 /nfs/dbraw/zinc/60/28/31/1038602831.db2.gz BBKJVHWRJLCBKA-YMISUZCDSA-N 1 3 353.510 2.595 20 0 FFADHO O=C(N1CCCC1)C12CC(C1)C[N@H+]2C[C@H]1CCN(Cc2ccccc2)C1 ZINC001208950191 1038602838 /nfs/dbraw/zinc/60/28/38/1038602838.db2.gz BBKJVHWRJLCBKA-YMISUZCDSA-N 1 3 353.510 2.595 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858518 1038636922 /nfs/dbraw/zinc/63/69/22/1038636922.db2.gz HMHZCIDGUZSPMS-UHFFFAOYSA-N 1 3 368.529 2.603 20 0 FFADHO c1cc(N2CCC(N3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc[nH+]1 ZINC001256860017 1038637798 /nfs/dbraw/zinc/63/77/98/1038637798.db2.gz VVDIQDDZACFVJN-PWRODBHTSA-N 1 3 357.498 2.709 20 0 FFADHO Cc1cccc(CO[C@H]2C[C@@H]3CN(C4CC[NH+](C(C)C)CC4)CCN3C2)n1 ZINC001257219111 1038749038 /nfs/dbraw/zinc/74/90/38/1038749038.db2.gz YNGPDAUKSVFCOJ-YADHBBJMSA-N 1 3 372.557 2.538 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209317873 1038756427 /nfs/dbraw/zinc/75/64/27/1038756427.db2.gz GZZSMFCIKAEKAG-ZCNNSNEGSA-N 1 3 371.525 2.842 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209317873 1038756436 /nfs/dbraw/zinc/75/64/36/1038756436.db2.gz GZZSMFCIKAEKAG-ZCNNSNEGSA-N 1 3 371.525 2.842 20 0 FFADHO O=C1COC2(CC[NH+](CCCN3CCCCC3)CC2)CN1c1ccccc1 ZINC001209451346 1038882138 /nfs/dbraw/zinc/88/21/38/1038882138.db2.gz HYUJMQOCSDEMLQ-UHFFFAOYSA-N 1 3 371.525 2.760 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(-c3ccsc3)nc1)C2 ZINC001278629823 1038940798 /nfs/dbraw/zinc/94/07/98/1038940798.db2.gz SOWOIGUNKIMZPE-MJGOQNOKSA-N 1 3 356.539 2.878 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)N(C)C)cc1 ZINC001251372659 1039096332 /nfs/dbraw/zinc/09/63/32/1039096332.db2.gz VMDYWJVHFOIUME-MAUKXSAKSA-N 1 3 364.559 2.652 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@H](C)C2)N(C)C)cc1 ZINC001251372659 1039096347 /nfs/dbraw/zinc/09/63/47/1039096347.db2.gz VMDYWJVHFOIUME-MAUKXSAKSA-N 1 3 364.559 2.652 20 0 FFADHO COc1ccnc(C2(C[NH2+]C3CCN(CC(C)C)CC3)CCOCC2)c1 ZINC001258008061 1039105416 /nfs/dbraw/zinc/10/54/16/1039105416.db2.gz BWPQFXGFDJULLD-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO COc1ccnc(C2(CNC3CC[NH+](CC(C)C)CC3)CCOCC2)c1 ZINC001258008061 1039105422 /nfs/dbraw/zinc/10/54/22/1039105422.db2.gz BWPQFXGFDJULLD-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(c3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001258008189 1039105828 /nfs/dbraw/zinc/10/58/28/1039105828.db2.gz JWFWQQWWACGWMY-OAHLLOKOSA-N 1 3 371.451 2.784 20 0 FFADHO CCOC(=O)CC1CCC([NH+](CCCN(C)C)CCCN(C)C)CC1 ZINC001258033497 1039130546 /nfs/dbraw/zinc/13/05/46/1039130546.db2.gz FGJDMQRMVAXREF-UHFFFAOYSA-N 1 3 355.567 2.704 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001246006051 1039186939 /nfs/dbraw/zinc/18/69/39/1039186939.db2.gz STWMGBLAQPDACW-FUMNGEBKSA-N 1 3 374.525 2.765 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN2CCCC23CC[NH2+]CC3)cc1 ZINC001246038600 1039210837 /nfs/dbraw/zinc/21/08/37/1039210837.db2.gz ZVZRJMSSXKEFNI-IBGZPJMESA-N 1 3 374.525 2.720 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001246038600 1039210851 /nfs/dbraw/zinc/21/08/51/1039210851.db2.gz ZVZRJMSSXKEFNI-IBGZPJMESA-N 1 3 374.525 2.720 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@H+]2CCCC23CCNCC3)cc1 ZINC001246038600 1039210862 /nfs/dbraw/zinc/21/08/62/1039210862.db2.gz ZVZRJMSSXKEFNI-IBGZPJMESA-N 1 3 374.525 2.720 20 0 FFADHO COc1ccc(C[C@H](C)N(Cc2ccccc2)C[C@]2(O)CC[NH2+]C2)cc1 ZINC001246050863 1039220742 /nfs/dbraw/zinc/22/07/42/1039220742.db2.gz GWVOFRCOXCSTEC-AVRDEDQJSA-N 1 3 354.494 2.853 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC001251684596 1039250118 /nfs/dbraw/zinc/25/01/18/1039250118.db2.gz MMFHEOXIMRTPSA-WOJBJXKFSA-N 1 3 360.546 2.881 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC001251684596 1039250120 /nfs/dbraw/zinc/25/01/20/1039250120.db2.gz MMFHEOXIMRTPSA-WOJBJXKFSA-N 1 3 360.546 2.881 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CN1 ZINC001246170064 1039263808 /nfs/dbraw/zinc/26/38/08/1039263808.db2.gz LDDRZVZUAOWCOE-ZCNNSNEGSA-N 1 3 373.541 2.560 20 0 FFADHO O[C@]1(C[NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCCNC1 ZINC001246226328 1039284200 /nfs/dbraw/zinc/28/42/00/1039284200.db2.gz FYTYMOIJSVQCAZ-JTHBVZDNSA-N 1 3 366.505 2.827 20 0 FFADHO CC[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246266230 1039292140 /nfs/dbraw/zinc/29/21/40/1039292140.db2.gz FZKWSYHCLUSIJB-OWCLPIDISA-N 1 3 370.278 2.879 20 0 FFADHO CCOC(=O)C1=C(N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCNC1 ZINC001246282585 1039295548 /nfs/dbraw/zinc/29/55/48/1039295548.db2.gz DYBPVAKJXQVJEA-GOSISDBHSA-N 1 3 371.525 2.830 20 0 FFADHO CCOC(=O)C1=C(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCNC1 ZINC001246282585 1039295560 /nfs/dbraw/zinc/29/55/60/1039295560.db2.gz DYBPVAKJXQVJEA-GOSISDBHSA-N 1 3 371.525 2.830 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCCN1CN[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246350615 1039319805 /nfs/dbraw/zinc/31/98/05/1039319805.db2.gz NKFOAIWDDRORNM-FUHIMQAGSA-N 1 3 351.535 2.652 20 0 FFADHO NC[C@@]1(O)CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001246555027 1039394451 /nfs/dbraw/zinc/39/44/51/1039394451.db2.gz AQDBPWKABKRVEJ-CBPXPLCBSA-N 1 3 357.542 2.748 20 0 FFADHO NC[C@@]1(O)CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001246555027 1039394464 /nfs/dbraw/zinc/39/44/64/1039394464.db2.gz AQDBPWKABKRVEJ-CBPXPLCBSA-N 1 3 357.542 2.748 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001246637580 1039424132 /nfs/dbraw/zinc/42/41/32/1039424132.db2.gz YQNAQIZKAOHSOI-YJBOKZPZSA-N 1 3 366.347 2.798 20 0 FFADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C1CCC(F)(F)CC1)C2 ZINC001246656172 1039428620 /nfs/dbraw/zinc/42/86/20/1039428620.db2.gz CAKYFJTWXHTYOF-KGLIPLIRSA-N 1 3 370.362 2.581 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246657163 1039430040 /nfs/dbraw/zinc/43/00/40/1039430040.db2.gz GJKZXARJIONKET-UWIFEVILSA-N 1 3 354.473 2.938 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246657163 1039430050 /nfs/dbraw/zinc/43/00/50/1039430050.db2.gz GJKZXARJIONKET-UWIFEVILSA-N 1 3 354.473 2.938 20 0 FFADHO CC(C)C[C@@H](C)C[C@@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246668218 1039432033 /nfs/dbraw/zinc/43/20/33/1039432033.db2.gz MMFKGSRNJOJHPI-QZTJIDSGSA-N 1 3 350.551 2.921 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]23CNC[C@@H](C[C@@H]2C1)O3 ZINC001246687804 1039439340 /nfs/dbraw/zinc/43/93/40/1039439340.db2.gz WZILNPPECDMMDH-MOIQIXESSA-N 1 3 365.315 2.833 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]23CNC[C@@H](C[C@@H]2C1)O3 ZINC001246687804 1039439346 /nfs/dbraw/zinc/43/93/46/1039439346.db2.gz WZILNPPECDMMDH-MOIQIXESSA-N 1 3 365.315 2.833 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)[C@H]2CC[NH2+][C@H](C)C2)c2c1CNCC2 ZINC001246702586 1039440919 /nfs/dbraw/zinc/44/09/19/1039440919.db2.gz HJTPOKMDTJPGTQ-CABCVRRESA-N 1 3 374.558 2.713 20 0 FFADHO O=C(C[C@@H]1CC2(CCN(C3CC[NH2+]CC3)CC2)c2ccccc21)NC1CC1 ZINC001246723168 1039453057 /nfs/dbraw/zinc/45/30/57/1039453057.db2.gz VUMMXQHNZPACQG-QGZVFWFLSA-N 1 3 367.537 2.928 20 0 FFADHO O=C(C[C@@H]1CC2(CC[NH+](C3CCNCC3)CC2)c2ccccc21)NC1CC1 ZINC001246723168 1039453061 /nfs/dbraw/zinc/45/30/61/1039453061.db2.gz VUMMXQHNZPACQG-QGZVFWFLSA-N 1 3 367.537 2.928 20 0 FFADHO c1cncc(COC[C@]23CCCO[C@@H]2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c1 ZINC001246744501 1039459057 /nfs/dbraw/zinc/45/90/57/1039459057.db2.gz BJQXFIIZYUPCPK-HKCXDJLESA-N 1 3 371.525 2.752 20 0 FFADHO CC(C)(C)c1ccc(CN2CCN([C@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246819202 1039491901 /nfs/dbraw/zinc/49/19/01/1039491901.db2.gz RXRRBQSLXLQCEA-LJQANCHMSA-N 1 3 359.583 2.949 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001246873602 1039512864 /nfs/dbraw/zinc/51/28/64/1039512864.db2.gz UIXKPQYKESRYNU-HZPDHXFCSA-N 1 3 354.325 2.958 20 0 FFADHO C[C@H](Cc1ccccc1Br)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001246887298 1039519887 /nfs/dbraw/zinc/51/98/87/1039519887.db2.gz OGQOQONKFDZQJA-OAHLLOKOSA-N 1 3 366.347 2.750 20 0 FFADHO O=C(NCc1ccc(Cl)cc1)C1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001247002897 1039573300 /nfs/dbraw/zinc/57/33/00/1039573300.db2.gz ULVSRHNUOJQXQE-DFNIBXOVSA-N 1 3 361.917 2.951 20 0 FFADHO CC(C)OC[C@H](O)C[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001252678525 1039645270 /nfs/dbraw/zinc/64/52/70/1039645270.db2.gz ZZXLHDKJGDLGBC-MJGOQNOKSA-N 1 3 350.503 2.742 20 0 FFADHO CC(C)OC[C@@H](O)CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001252695370 1039651879 /nfs/dbraw/zinc/65/18/79/1039651879.db2.gz DRDQFFUVNNVFIH-IBGZPJMESA-N 1 3 359.514 2.550 20 0 FFADHO CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@](C)(O)c1ccccc1 ZINC001253127873 1039993522 /nfs/dbraw/zinc/99/35/22/1039993522.db2.gz ZAQJLYDNOXJPMB-YPAWHYETSA-N 1 3 354.494 2.773 20 0 FFADHO CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@](C)(O)c1ccccc1 ZINC001253127873 1039993526 /nfs/dbraw/zinc/99/35/26/1039993526.db2.gz ZAQJLYDNOXJPMB-YPAWHYETSA-N 1 3 354.494 2.773 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309341 1040075790 /nfs/dbraw/zinc/07/57/90/1040075790.db2.gz ATUVQMIGPQPNSA-DYESRHJHSA-N 1 3 371.525 2.529 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001253410638 1040159305 /nfs/dbraw/zinc/15/93/05/1040159305.db2.gz OAOHSYKGUNYQMB-MRXNPFEDSA-N 1 3 355.473 2.911 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001253410638 1040159309 /nfs/dbraw/zinc/15/93/09/1040159309.db2.gz OAOHSYKGUNYQMB-MRXNPFEDSA-N 1 3 355.473 2.911 20 0 FFADHO CC(C)(C)[C@H](O)CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001253726077 1040341780 /nfs/dbraw/zinc/34/17/80/1040341780.db2.gz IIQXNAJWCGBGNG-VWPQPMDRSA-N 1 3 364.574 2.854 20 0 FFADHO CC(C)(C)[C@H](O)CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001253726077 1040341798 /nfs/dbraw/zinc/34/17/98/1040341798.db2.gz IIQXNAJWCGBGNG-VWPQPMDRSA-N 1 3 364.574 2.854 20 0 FFADHO CCCCOC(=O)[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254042306 1040544104 /nfs/dbraw/zinc/54/41/04/1040544104.db2.gz BZMAGOIERXOARO-FQEVSTJZSA-N 1 3 374.525 2.679 20 0 FFADHO CCCCOC(=O)[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254042306 1040544113 /nfs/dbraw/zinc/54/41/13/1040544113.db2.gz BZMAGOIERXOARO-FQEVSTJZSA-N 1 3 374.525 2.679 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)ccc1Cl ZINC001278769272 1040631601 /nfs/dbraw/zinc/63/16/01/1040631601.db2.gz KTPLBBBWGPFPMZ-HDICACEKSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)ccc1Cl ZINC001278769272 1040631605 /nfs/dbraw/zinc/63/16/05/1040631605.db2.gz KTPLBBBWGPFPMZ-HDICACEKSA-N 1 3 363.933 2.880 20 0 FFADHO c1ccc([C@H]2C[NH2+]C[C@@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C2)cc1 ZINC001249223739 1040637794 /nfs/dbraw/zinc/63/77/94/1040637794.db2.gz HNCMWPHGBZCQRE-SJORKVTESA-N 1 3 361.449 2.638 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CCN(C2CC2)C1 ZINC001254389695 1040693928 /nfs/dbraw/zinc/69/39/28/1040693928.db2.gz BSBGJLZVSBNJFA-YLJYHZDGSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CCN(C2CC2)C1 ZINC001254389695 1040693937 /nfs/dbraw/zinc/69/39/37/1040693937.db2.gz BSBGJLZVSBNJFA-YLJYHZDGSA-N 1 3 362.562 2.909 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655562 1040762667 /nfs/dbraw/zinc/76/26/67/1040762667.db2.gz SQVUVACUYMUGNZ-WWTANLFGSA-N 1 3 365.562 2.669 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001254517209 1040765976 /nfs/dbraw/zinc/76/59/76/1040765976.db2.gz FZBZDDSIGRKOJM-TZIWHRDSSA-N 1 3 356.514 2.523 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001254517209 1040765990 /nfs/dbraw/zinc/76/59/90/1040765990.db2.gz FZBZDDSIGRKOJM-TZIWHRDSSA-N 1 3 356.514 2.523 20 0 FFADHO CN1CC2(C1)CC[NH+]([C@H]1CSC3(CN(C(=O)OC(C)(C)C)C3)C1)CC2 ZINC001254711478 1040901300 /nfs/dbraw/zinc/90/13/00/1040901300.db2.gz SRHKUAXRMVIVTH-OAHLLOKOSA-N 1 3 367.559 2.509 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934320 1041086266 /nfs/dbraw/zinc/08/62/66/1041086266.db2.gz PCHQIAQMJOBPMV-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CCOc1nccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1Cl ZINC001250387053 1041188826 /nfs/dbraw/zinc/18/88/26/1041188826.db2.gz DUHLGAXCQBXJQM-UHFFFAOYSA-N 1 3 366.937 2.593 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC001261423194 1041228910 /nfs/dbraw/zinc/22/89/10/1041228910.db2.gz QXYRJGPAVDLALB-USXIJHARSA-N 1 3 369.431 2.946 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255402598 1041323688 /nfs/dbraw/zinc/32/36/88/1041323688.db2.gz JWBKCQDFZBQKMV-PMACEKPBSA-N 1 3 372.509 2.885 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255402598 1041323694 /nfs/dbraw/zinc/32/36/94/1041323694.db2.gz JWBKCQDFZBQKMV-PMACEKPBSA-N 1 3 372.509 2.885 20 0 FFADHO COc1cccc([C@H](O)C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC001250736795 1041334051 /nfs/dbraw/zinc/33/40/51/1041334051.db2.gz KDCQXPDWSGBAGL-OAQYLSRUSA-N 1 3 355.482 2.625 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCCC1CCOCC1 ZINC001214847851 1041592666 /nfs/dbraw/zinc/59/26/66/1041592666.db2.gz VJVXBCSSUIKGCP-IEBWSBKVSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCCCCC2)C1)N(C)C ZINC001214952582 1041629156 /nfs/dbraw/zinc/62/91/56/1041629156.db2.gz CDCNTJPXHIPXHP-BHIYHBOVSA-N 1 3 353.551 2.503 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2C)C1 ZINC001215973130 1041920465 /nfs/dbraw/zinc/92/04/65/1041920465.db2.gz SGMZBMHDSOKGRC-YLJYHZDGSA-N 1 3 360.546 2.839 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001215989444 1041924220 /nfs/dbraw/zinc/92/42/20/1041924220.db2.gz BYZHWDAKXZDPBV-QWQRMKEZSA-N 1 3 353.457 2.804 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001263648188 1042418361 /nfs/dbraw/zinc/41/83/61/1042418361.db2.gz KTEYRNOGFLCSTN-VQTJNVASSA-N 1 3 371.529 2.577 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001263648188 1042418366 /nfs/dbraw/zinc/41/83/66/1042418366.db2.gz KTEYRNOGFLCSTN-VQTJNVASSA-N 1 3 371.529 2.577 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCc1cccs1)N(C)C ZINC001264559764 1042716233 /nfs/dbraw/zinc/71/62/33/1042716233.db2.gz QBCVHIMJNZXYLK-RYRKJORJSA-N 1 3 351.560 2.848 20 0 FFADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001264595931 1042732561 /nfs/dbraw/zinc/73/25/61/1042732561.db2.gz AZDDHCJCKOBUAQ-XUVXKRRUSA-N 1 3 361.505 2.994 20 0 FFADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001264595931 1042732566 /nfs/dbraw/zinc/73/25/66/1042732566.db2.gz AZDDHCJCKOBUAQ-XUVXKRRUSA-N 1 3 361.505 2.994 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001265851790 1042882637 /nfs/dbraw/zinc/88/26/37/1042882637.db2.gz UDRGFUNMJQHDCR-ZWKOTPCHSA-N 1 3 353.457 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001265851790 1042882640 /nfs/dbraw/zinc/88/26/40/1042882640.db2.gz UDRGFUNMJQHDCR-ZWKOTPCHSA-N 1 3 353.457 2.633 20 0 FFADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccc(-c4cccs4)cc3)C[C@@H]21 ZINC001279256829 1042970144 /nfs/dbraw/zinc/97/01/44/1042970144.db2.gz KGLGDBQZKVKYAI-PMACEKPBSA-N 1 3 371.550 2.862 20 0 FFADHO CC(C)Cc1ccc(CN2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)cc1 ZINC001279417932 1043085534 /nfs/dbraw/zinc/08/55/34/1043085534.db2.gz RYWKQVKSXYGPES-PMACEKPBSA-N 1 3 355.526 2.527 20 0 FFADHO CC(C)Cc1ccc(CN2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)cc1 ZINC001279417932 1043085541 /nfs/dbraw/zinc/08/55/41/1043085541.db2.gz RYWKQVKSXYGPES-PMACEKPBSA-N 1 3 355.526 2.527 20 0 FFADHO Cc1cc(CN[C@]23CC[C@]([NH2+]Cc4cnc(C)cn4)(C2)CCC3)n(C)n1 ZINC001279422745 1043097042 /nfs/dbraw/zinc/09/70/42/1043097042.db2.gz GXOCCAXDQNQBCU-VQTJNVASSA-N 1 3 354.502 2.552 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3nc(Cl)ccc3F)C[C@H]2CC1 ZINC001279550841 1043246000 /nfs/dbraw/zinc/24/60/00/1043246000.db2.gz FDWAQPLXEVYGOK-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3nc(Cl)ccc3F)C[C@H]2CC1 ZINC001279550841 1043246007 /nfs/dbraw/zinc/24/60/07/1043246007.db2.gz FDWAQPLXEVYGOK-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO COC1(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(C)(C)C[NH+](C)C)CCC1 ZINC001279590838 1043304951 /nfs/dbraw/zinc/30/49/51/1043304951.db2.gz BPLVNOXBEMHISG-AYHJJNSGSA-N 1 3 365.562 2.645 20 0 FFADHO Cc1c(Cl)cccc1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001237737386 1043330940 /nfs/dbraw/zinc/33/09/40/1043330940.db2.gz ZRYSZINQQAMAJN-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO Cc1c(Cl)cccc1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001237737386 1043330950 /nfs/dbraw/zinc/33/09/50/1043330950.db2.gz ZRYSZINQQAMAJN-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO CCn1nc(C)c(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1C ZINC001279612583 1043339936 /nfs/dbraw/zinc/33/99/36/1043339936.db2.gz ZHAWJHCGKPGQHU-UHFFFAOYSA-N 1 3 361.578 2.759 20 0 FFADHO CCn1nc(C)c(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1C ZINC001279612583 1043339946 /nfs/dbraw/zinc/33/99/46/1043339946.db2.gz ZHAWJHCGKPGQHU-UHFFFAOYSA-N 1 3 361.578 2.759 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cncc(Cl)c3)CC2)C1 ZINC001279641920 1043386192 /nfs/dbraw/zinc/38/61/92/1043386192.db2.gz XYAQPAHUFCLINC-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cncc(Cl)c3)CC2)C1 ZINC001279641920 1043386201 /nfs/dbraw/zinc/38/62/01/1043386201.db2.gz XYAQPAHUFCLINC-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-n1cccn1 ZINC001279648543 1043398465 /nfs/dbraw/zinc/39/84/65/1043398465.db2.gz IQMYVKOCGLUKJG-IHWFROFDSA-N 1 3 353.514 2.519 20 0 FFADHO CN(C)c1ccc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001279716600 1043518779 /nfs/dbraw/zinc/51/87/79/1043518779.db2.gz KYSWABCUMXRHBT-UHFFFAOYSA-N 1 3 353.514 2.964 20 0 FFADHO CN(C)c1ccc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001279716600 1043518786 /nfs/dbraw/zinc/51/87/86/1043518786.db2.gz KYSWABCUMXRHBT-UHFFFAOYSA-N 1 3 353.514 2.964 20 0 FFADHO CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)ccc1C ZINC001238081232 1043520950 /nfs/dbraw/zinc/52/09/50/1043520950.db2.gz WTAYAYDUHDRJQR-AABGKKOBSA-N 1 3 369.513 2.580 20 0 FFADHO CCOc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)ccc1C ZINC001238081232 1043520962 /nfs/dbraw/zinc/52/09/62/1043520962.db2.gz WTAYAYDUHDRJQR-AABGKKOBSA-N 1 3 369.513 2.580 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@@H]2CCC3(C2)CCN(Cc2ccc[nH]2)CC3)CC1 ZINC001279771611 1043616216 /nfs/dbraw/zinc/61/62/16/1043616216.db2.gz PAHPMNRKFGTMSB-QGZVFWFLSA-N 1 3 358.530 2.607 20 0 FFADHO COc1c(Cl)ccc(F)c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001238350687 1043661420 /nfs/dbraw/zinc/66/14/20/1043661420.db2.gz ZRHSXMIIGYZUMC-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO O=C(NCC(F)F)[C@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001279842478 1043758277 /nfs/dbraw/zinc/75/82/77/1043758277.db2.gz CUHBIQUECXFTRK-VQIMIIECSA-N 1 3 357.489 2.736 20 0 FFADHO c1cn(CC[N@H+]2CC[C@@]3(C2)CCCN(CCCc2ccncc2)C3)cn1 ZINC001278264538 1043816294 /nfs/dbraw/zinc/81/62/94/1043816294.db2.gz LWYZJUYPPMCCBN-NRFANRHFSA-N 1 3 353.514 2.699 20 0 FFADHO c1cn(CC[N@@H+]2CC[C@@]3(C2)CCCN(CCCc2ccncc2)C3)cn1 ZINC001278264538 1043816313 /nfs/dbraw/zinc/81/63/13/1043816313.db2.gz LWYZJUYPPMCCBN-NRFANRHFSA-N 1 3 353.514 2.699 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccccc1OC(F)(F)F ZINC001239216637 1044072898 /nfs/dbraw/zinc/07/28/98/1044072898.db2.gz OPUIAEQSSPTSTN-LBPRGKRZSA-N 1 3 372.391 2.581 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccccc1OC(F)(F)F ZINC001239216632 1044073638 /nfs/dbraw/zinc/07/36/38/1044073638.db2.gz OPUIAEQSSPTSTN-GFCCVEGCSA-N 1 3 372.391 2.581 20 0 FFADHO CCc1cccc(CC)c1NC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239361318 1044102629 /nfs/dbraw/zinc/10/26/29/1044102629.db2.gz DEGRUYURSGIFNX-QGZVFWFLSA-N 1 3 360.571 2.972 20 0 FFADHO CCc1ccccc1CN1CC2(C[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001280097806 1044200763 /nfs/dbraw/zinc/20/07/63/1044200763.db2.gz ZFPLUGLIVYZBJM-FQEVSTJZSA-N 1 3 357.542 2.871 20 0 FFADHO C[NH+]1CCC(C)(CN2CC[C@@H]3C[C@@]32C(=O)NC2CCC(F)CC2)CC1 ZINC001280211461 1044405373 /nfs/dbraw/zinc/40/53/73/1044405373.db2.gz UHAPSWBAPMYLFF-ILCXRZRJSA-N 1 3 351.510 2.580 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001313867917 1044432712 /nfs/dbraw/zinc/43/27/12/1044432712.db2.gz UFTJQFBWVOSUDW-JKSUJKDBSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001313867917 1044432718 /nfs/dbraw/zinc/43/27/18/1044432718.db2.gz UFTJQFBWVOSUDW-JKSUJKDBSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CC[N@H+](CC)C2)C[C@@H]1C ZINC001313893459 1044439188 /nfs/dbraw/zinc/43/91/88/1044439188.db2.gz OJVDZQCYXXDVOF-BZSNNMDCSA-N 1 3 374.577 2.806 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CC[N@@H+](CC)C2)C[C@@H]1C ZINC001313893459 1044439195 /nfs/dbraw/zinc/43/91/95/1044439195.db2.gz OJVDZQCYXXDVOF-BZSNNMDCSA-N 1 3 374.577 2.806 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)cc2)CC1 ZINC001318385288 1045287646 /nfs/dbraw/zinc/28/76/46/1045287646.db2.gz HKKJUKWBZXBVQC-NHCUHLMSSA-N 1 3 372.557 2.820 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001321185135 1045578568 /nfs/dbraw/zinc/57/85/68/1045578568.db2.gz ODWCWXLUIOGQQL-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001321185135 1045578574 /nfs/dbraw/zinc/57/85/74/1045578574.db2.gz ODWCWXLUIOGQQL-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)cc2)CC1 ZINC001290220766 1047936557 /nfs/dbraw/zinc/93/65/57/1047936557.db2.gz DNSJGFUEHHVXBE-HXUWFJFHSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)cc2)CC1 ZINC001290220766 1047936564 /nfs/dbraw/zinc/93/65/64/1047936564.db2.gz DNSJGFUEHHVXBE-HXUWFJFHSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)cc2)CC1 ZINC001328132333 1048192975 /nfs/dbraw/zinc/19/29/75/1048192975.db2.gz SYMBCRUFYUDGFE-HXUWFJFHSA-N 1 3 370.472 2.649 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCCC3(CC[NH2+]CC3)C2)C2CC2)cc1 ZINC001328490999 1048324628 /nfs/dbraw/zinc/32/46/28/1048324628.db2.gz AWYPOJYZZCLLLO-UHFFFAOYSA-N 1 3 371.525 2.652 20 0 FFADHO Cc1nnc(N2CCN(CC(C)C)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001290871409 1048464506 /nfs/dbraw/zinc/46/45/06/1048464506.db2.gz CNRVAILFPVFLCK-UHFFFAOYSA-N 1 3 364.582 2.873 20 0 FFADHO CC[NH+](CC)C1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC001333515512 1048951935 /nfs/dbraw/zinc/95/19/35/1048951935.db2.gz IJGXJAGGZYMFCX-IBGZPJMESA-N 1 3 360.502 2.686 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001316651787 1049402339 /nfs/dbraw/zinc/40/23/39/1049402339.db2.gz BFZSUHDUKWGQDJ-VQTJNVASSA-N 1 3 357.542 2.896 20 0 FFADHO CN(C)Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1C(F)(F)F ZINC001331032478 1049446187 /nfs/dbraw/zinc/44/61/87/1049446187.db2.gz HVNPJYUXZIYQGM-CYBMUJFWSA-N 1 3 361.433 2.801 20 0 FFADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(C)(C)C[NH+](C)C ZINC001541361649 1071087044 /nfs/dbraw/zinc/08/70/44/1071087044.db2.gz NWWDTNQENNIQEF-UHFFFAOYSA-N 1 3 364.582 2.910 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001295978176 1050007990 /nfs/dbraw/zinc/00/79/90/1050007990.db2.gz JVQOFVNNCPZTOO-ROUUACIJSA-N 1 3 362.566 2.627 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001341555908 1050183659 /nfs/dbraw/zinc/18/36/59/1050183659.db2.gz PTIDRNFWPNZFCY-IOMROCGXSA-N 1 3 371.525 2.750 20 0 FFADHO O=C(c1ccc2c(c1)OCCNC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001341746903 1050364895 /nfs/dbraw/zinc/36/48/95/1050364895.db2.gz CGUSLTUJVQKZDM-UHFFFAOYSA-N 1 3 371.525 2.897 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc4c3OCCNC4)C2)CC1 ZINC001340190660 1050597228 /nfs/dbraw/zinc/59/72/28/1050597228.db2.gz LQWMYICYCJFJHJ-SFHVURJKSA-N 1 3 371.525 2.753 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001341001284 1051336919 /nfs/dbraw/zinc/33/69/19/1051336919.db2.gz ZSNXDPUHDVYGCP-GOSISDBHSA-N 1 3 355.486 2.841 20 0 FFADHO CCCN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC001342914649 1051524729 /nfs/dbraw/zinc/52/47/29/1051524729.db2.gz LFUADFXDQDJRDB-RBBKRZOGSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H](C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCCC1 ZINC001342985584 1051600932 /nfs/dbraw/zinc/60/09/32/1051600932.db2.gz ROMDAFDVEHZNPV-PLMTUMEDSA-N 1 3 357.498 2.623 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)[C@@H](C)C1 ZINC001345100841 1052257867 /nfs/dbraw/zinc/25/78/67/1052257867.db2.gz ZXUFQTOQUXSIJN-YTQUADARSA-N 1 3 374.577 2.664 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)[C@@H](C)C1 ZINC001345100841 1052257872 /nfs/dbraw/zinc/25/78/72/1052257872.db2.gz ZXUFQTOQUXSIJN-YTQUADARSA-N 1 3 374.577 2.664 20 0 FFADHO CN1C[C@H](CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)OC1=O ZINC001307885380 1052362230 /nfs/dbraw/zinc/36/22/30/1052362230.db2.gz IRSJRLLDKZVPBZ-LJQANCHMSA-N 1 3 357.498 2.815 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC001308330873 1052447404 /nfs/dbraw/zinc/44/74/04/1052447404.db2.gz PNRCPQGAXDHEPO-UXHICEINSA-N 1 3 354.498 2.853 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)OC[C@H]3Cc3ccccc3)C[C@@H]2C1 ZINC001335251178 1053269440 /nfs/dbraw/zinc/26/94/40/1053269440.db2.gz AIQHDPOZZCSTJB-IYWMVGAKSA-N 1 3 357.498 2.670 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC001349448386 1055267179 /nfs/dbraw/zinc/26/71/79/1055267179.db2.gz ZMVHPFBVTTXVCT-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC001349448386 1055267185 /nfs/dbraw/zinc/26/71/85/1055267185.db2.gz ZMVHPFBVTTXVCT-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OCc1ccccc1 ZINC000849052151 1055600374 /nfs/dbraw/zinc/60/03/74/1055600374.db2.gz GQLNNFPJXRIJJP-IBGZPJMESA-N 1 3 367.497 2.759 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CC[N@@H+](C(C)(C)C)C3)c2cc1C ZINC001356609554 1055611826 /nfs/dbraw/zinc/61/18/26/1055611826.db2.gz AOTJDBZPVBONSS-ZWKOTPCHSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CC[N@H+](C(C)(C)C)C3)c2cc1C ZINC001356609554 1055611829 /nfs/dbraw/zinc/61/18/29/1055611829.db2.gz AOTJDBZPVBONSS-ZWKOTPCHSA-N 1 3 358.530 2.724 20 0 FFADHO CCNC(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000849058785 1055612335 /nfs/dbraw/zinc/61/23/35/1055612335.db2.gz OONMGJXBEHHLPB-UHFFFAOYSA-N 1 3 351.498 2.643 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)OCCNC2 ZINC001353644132 1056606982 /nfs/dbraw/zinc/60/69/82/1056606982.db2.gz APJQICJCFBVUBD-UHFFFAOYSA-N 1 3 371.456 2.512 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001353677347 1056629364 /nfs/dbraw/zinc/62/93/64/1056629364.db2.gz HFYHKZGUQUHBNM-GPMSIDNRSA-N 1 3 357.498 2.646 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(CC2CC2)s1 ZINC001442923508 1058171357 /nfs/dbraw/zinc/17/13/57/1058171357.db2.gz NNEXYOSORDEXEI-INIZCTEOSA-N 1 3 364.559 2.584 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=S)NCC[NH+]3CCCCC3)C2)c1 ZINC001200446209 1058214086 /nfs/dbraw/zinc/21/40/86/1058214086.db2.gz KMSAUOZBOSUQEB-IBGZPJMESA-N 1 3 360.571 2.519 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001443612031 1058224356 /nfs/dbraw/zinc/22/43/56/1058224356.db2.gz AWCKWXJAZRUMHE-OAQYLSRUSA-N 1 3 359.558 2.987 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001443612031 1058224373 /nfs/dbraw/zinc/22/43/73/1058224373.db2.gz AWCKWXJAZRUMHE-OAQYLSRUSA-N 1 3 359.558 2.987 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001443612030 1058224841 /nfs/dbraw/zinc/22/48/41/1058224841.db2.gz AWCKWXJAZRUMHE-NRFANRHFSA-N 1 3 359.558 2.987 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001443612030 1058224853 /nfs/dbraw/zinc/22/48/53/1058224853.db2.gz AWCKWXJAZRUMHE-NRFANRHFSA-N 1 3 359.558 2.987 20 0 FFADHO CCCCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001499506568 1058334026 /nfs/dbraw/zinc/33/40/26/1058334026.db2.gz GLFVDHPWXDGWRQ-FUMNGEBKSA-N 1 3 365.562 2.599 20 0 FFADHO CCCCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001499506568 1058334041 /nfs/dbraw/zinc/33/40/41/1058334041.db2.gz GLFVDHPWXDGWRQ-FUMNGEBKSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(Cc3ccco3)C3CCN(C)CC3)C[N@@H+]2C1 ZINC001519436234 1058748335 /nfs/dbraw/zinc/74/83/35/1058748335.db2.gz KAVDUCWZFLKKNF-ZIFCJYIRSA-N 1 3 359.514 2.823 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(Cc3ccco3)C3CCN(C)CC3)C[N@H+]2C1 ZINC001519436234 1058748354 /nfs/dbraw/zinc/74/83/54/1058748354.db2.gz KAVDUCWZFLKKNF-ZIFCJYIRSA-N 1 3 359.514 2.823 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC001502247462 1058791983 /nfs/dbraw/zinc/79/19/83/1058791983.db2.gz LQIPHQZLSBJMFI-SJORKVTESA-N 1 3 362.566 2.770 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H](CNCc2cccc(F)c2F)C2CC2)CC[N@@H+]1C ZINC001507011894 1059585833 /nfs/dbraw/zinc/58/58/33/1059585833.db2.gz HIDCBGPKDZPSJN-QBIMZIAESA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H](CNCc2cccc(F)c2F)C2CC2)CC[N@H+]1C ZINC001507011894 1059585855 /nfs/dbraw/zinc/58/58/55/1059585855.db2.gz HIDCBGPKDZPSJN-QBIMZIAESA-N 1 3 365.468 2.632 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001515820411 1059813402 /nfs/dbraw/zinc/81/34/02/1059813402.db2.gz CWLARHKFWVDQQK-MSOLQXFVSA-N 1 3 374.577 2.635 20 0 FFADHO C[C@H](CC(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21)C1CC[NH2+]CC1 ZINC001355233123 1060017900 /nfs/dbraw/zinc/01/79/00/1060017900.db2.gz RNDDTRRFVXMKDW-QRQLOZEOSA-N 1 3 371.525 2.521 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)cc2)CC1 ZINC001456869776 1060220857 /nfs/dbraw/zinc/22/08/57/1060220857.db2.gz YIJIWINJNKAYQW-UHFFFAOYSA-N 1 3 374.573 2.877 20 0 FFADHO C[C@]1(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CCN(Cc2ccccc2)C1 ZINC000848548669 1060259887 /nfs/dbraw/zinc/25/98/87/1060259887.db2.gz DVPKPXPDTLDKEG-FGZHOGPDSA-N 1 3 357.542 2.742 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2C[C@H]2CC[N@H+](CC)C2)C[C@H]1C ZINC001547659656 1071982875 /nfs/dbraw/zinc/98/28/75/1071982875.db2.gz DRVUMZKHBKNUPD-KURKYZTESA-N 1 3 362.566 2.662 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2C[C@H]2CC[N@@H+](CC)C2)C[C@H]1C ZINC001547659656 1071982888 /nfs/dbraw/zinc/98/28/88/1071982888.db2.gz DRVUMZKHBKNUPD-KURKYZTESA-N 1 3 362.566 2.662 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)C1 ZINC001521454710 1060599217 /nfs/dbraw/zinc/59/92/17/1060599217.db2.gz MNGPTZMMXBVCHC-GDBMZVCRSA-N 1 3 369.431 2.870 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1)c1ccccc1 ZINC001460862312 1061132139 /nfs/dbraw/zinc/13/21/39/1061132139.db2.gz UBAABHLSBKVVOH-ACRUOGEOSA-N 1 3 355.526 2.916 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1)c1ccccc1 ZINC001460862312 1061132146 /nfs/dbraw/zinc/13/21/46/1061132146.db2.gz UBAABHLSBKVVOH-ACRUOGEOSA-N 1 3 355.526 2.916 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc(C)nc(C)c2)CC1 ZINC001462212382 1061540283 /nfs/dbraw/zinc/54/02/83/1061540283.db2.gz ZMFPLZQZRKXBLR-UHFFFAOYSA-N 1 3 360.546 2.759 20 0 FFADHO Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)C2 ZINC001478956989 1062162142 /nfs/dbraw/zinc/16/21/42/1062162142.db2.gz KIIUUYMVXODXQX-UWVAXJGDSA-N 1 3 360.546 2.800 20 0 FFADHO Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)C2 ZINC001478956989 1062162149 /nfs/dbraw/zinc/16/21/49/1062162149.db2.gz KIIUUYMVXODXQX-UWVAXJGDSA-N 1 3 360.546 2.800 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001479474143 1062448063 /nfs/dbraw/zinc/44/80/63/1062448063.db2.gz CPHQMANLSFOYFK-OAQYLSRUSA-N 1 3 374.573 2.924 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001479474143 1062448072 /nfs/dbraw/zinc/44/80/72/1062448072.db2.gz CPHQMANLSFOYFK-OAQYLSRUSA-N 1 3 374.573 2.924 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1)N(C)C ZINC001479475990 1062452996 /nfs/dbraw/zinc/45/29/96/1062452996.db2.gz OPXOACQITULUCH-DSKINZAPSA-N 1 3 368.525 2.950 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001479718934 1062908405 /nfs/dbraw/zinc/90/84/05/1062908405.db2.gz VKMQIBVETUXQGK-UWVAXJGDSA-N 1 3 371.541 2.593 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001479718934 1062908433 /nfs/dbraw/zinc/90/84/33/1062908433.db2.gz VKMQIBVETUXQGK-UWVAXJGDSA-N 1 3 371.541 2.593 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOc2ccc(Cl)cc2)[C@@H]1C ZINC001479723276 1062931314 /nfs/dbraw/zinc/93/13/14/1062931314.db2.gz GRTORDNJKJCUEH-QAPCUYQASA-N 1 3 367.921 2.640 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOc2ccc(Cl)cc2)[C@@H]1C ZINC001479723276 1062931334 /nfs/dbraw/zinc/93/13/34/1062931334.db2.gz GRTORDNJKJCUEH-QAPCUYQASA-N 1 3 367.921 2.640 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001466170816 1063352283 /nfs/dbraw/zinc/35/22/83/1063352283.db2.gz LQXINVFXGKSCFH-SESVDKBCSA-N 1 3 371.525 2.965 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC001466170816 1063352307 /nfs/dbraw/zinc/35/23/07/1063352307.db2.gz LQXINVFXGKSCFH-SESVDKBCSA-N 1 3 371.525 2.965 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC001498550447 1063827204 /nfs/dbraw/zinc/82/72/04/1063827204.db2.gz TVFBPNNIGGHEKU-CZUORRHYSA-N 1 3 355.885 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cc(Cl)ccc2F)CC[N@H+]1C ZINC001498550447 1063827220 /nfs/dbraw/zinc/82/72/20/1063827220.db2.gz TVFBPNNIGGHEKU-CZUORRHYSA-N 1 3 355.885 2.757 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCN1C ZINC001471393661 1064661071 /nfs/dbraw/zinc/66/10/71/1064661071.db2.gz AYCUEZYTCSMHEC-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC001471393661 1064661083 /nfs/dbraw/zinc/66/10/83/1064661083.db2.gz AYCUEZYTCSMHEC-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCCN3C)C2)CC1 ZINC001471508868 1064702270 /nfs/dbraw/zinc/70/22/70/1064702270.db2.gz MEOHHHGGZRQSSB-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001471568946 1064718747 /nfs/dbraw/zinc/71/87/47/1064718747.db2.gz VVTBJKJNWWZEPB-LJQANCHMSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC001471568946 1064718759 /nfs/dbraw/zinc/71/87/59/1064718759.db2.gz VVTBJKJNWWZEPB-LJQANCHMSA-N 1 3 372.557 2.882 20 0 FFADHO CC(C)c1nnc(N2CCC[C@H]([NH3+])C2)n1C[C@H](c1cccs1)N(C)C ZINC001575887802 1078173677 /nfs/dbraw/zinc/17/36/77/1078173677.db2.gz ULGBOCCPJAWJBM-LSDHHAIUSA-N 1 3 362.547 2.693 20 0 FFADHO C[C@H](CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001576005603 1078186375 /nfs/dbraw/zinc/18/63/75/1078186375.db2.gz MZESPJROMOMIGK-NJAFHUGGSA-N 1 3 350.528 2.515 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001576693208 1078261411 /nfs/dbraw/zinc/26/14/11/1078261411.db2.gz BJIYAPZSLLQBTA-XLIONFOSSA-N 1 3 358.530 2.655 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001576693208 1078261415 /nfs/dbraw/zinc/26/14/15/1078261415.db2.gz BJIYAPZSLLQBTA-XLIONFOSSA-N 1 3 358.530 2.655 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H](C)[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC001577084955 1078302510 /nfs/dbraw/zinc/30/25/10/1078302510.db2.gz RXRIMJJBBKKIDN-PWIZWCRZSA-N 1 3 358.530 2.592 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1C[NH2+]C)c1ccsc1 ZINC001577680770 1078387192 /nfs/dbraw/zinc/38/71/92/1078387192.db2.gz FVIOALVTMUDSAW-DLBZAZTESA-N 1 3 352.548 2.915 20 0 FFADHO CC[NH2+]CCn1c(-c2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577857728 1078408529 /nfs/dbraw/zinc/40/85/29/1078408529.db2.gz KDYZONDFEPELLL-UHFFFAOYSA-N 1 3 374.508 2.614 20 0 FFADHO CN(C)[C@@H](Cn1c(N2CC[C@H]([NH3+])C2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001578407705 1078470652 /nfs/dbraw/zinc/47/06/52/1078470652.db2.gz BGMLAFJJWOPBFO-IRXDYDNUSA-N 1 3 374.508 2.555 20 0 FFADHO CN(C)[C@H](Cn1c(C2CC2)nnc1N1CCC(C[NH3+])CC1)c1ccccc1 ZINC001578409448 1078470941 /nfs/dbraw/zinc/47/09/41/1078470941.db2.gz ZAGNKRLBQGWVNR-LJQANCHMSA-N 1 3 368.529 2.634 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001579447855 1078630968 /nfs/dbraw/zinc/63/09/68/1078630968.db2.gz VCCSTEJKEHYMRQ-GDBMZVCRSA-N 1 3 371.447 2.841 20 0 FFADHO Cc1c(Br)cccc1CCN[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC001579516498 1078638178 /nfs/dbraw/zinc/63/81/78/1078638178.db2.gz NKORXFDMCJYRPO-JKSUJKDBSA-N 1 3 353.304 2.786 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001580199898 1078764277 /nfs/dbraw/zinc/76/42/77/1078764277.db2.gz MYBARVSXKHUXPJ-PILAGYSTSA-N 1 3 356.869 2.873 20 0 FFADHO [NH3+]C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001580222245 1078767826 /nfs/dbraw/zinc/76/78/26/1078767826.db2.gz PCKMBENGGCCCHK-VQTJNVASSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@@H]1C[C@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@@H+]1C ZINC001549385078 1073782305 /nfs/dbraw/zinc/78/23/05/1073782305.db2.gz TWINBKJSEOUSKD-IAGOWNOFSA-N 1 3 352.482 2.614 20 0 FFADHO C[C@@H]1C[C@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@H+]1C ZINC001549385078 1073782312 /nfs/dbraw/zinc/78/23/12/1073782312.db2.gz TWINBKJSEOUSKD-IAGOWNOFSA-N 1 3 352.482 2.614 20 0 FFADHO C[NH+](C)[C@H](CC(=O)NC1CCC(C)(N2CCOCC2)CC1)c1ccccc1 ZINC001551160713 1074627768 /nfs/dbraw/zinc/62/77/68/1074627768.db2.gz RIIYKNBGSOBOTE-SNCIUUNGSA-N 1 3 373.541 2.829 20 0 FFADHO CC1([NH+]2CCOCC2)CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC001551237569 1074657953 /nfs/dbraw/zinc/65/79/53/1074657953.db2.gz WEJLCUVHCBOGEC-UHFFFAOYSA-N 1 3 360.424 2.569 20 0 FFADHO CCN(C(=O)NC1CCC2(C[C@H]2[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001551544809 1074751290 /nfs/dbraw/zinc/75/12/90/1074751290.db2.gz BPPGDESDGYOYCQ-LNSLMDJYSA-N 1 3 370.541 2.952 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CCC2(C[C@@H]2[NH3+])CC1)c1ccc(Cl)cc1 ZINC001551545232 1074751835 /nfs/dbraw/zinc/75/18/35/1074751835.db2.gz CICZLSOJCXLVIK-VIHIWDAPSA-N 1 3 364.921 2.902 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCC2(C[C@@H]2[NH3+])CC1 ZINC001551549306 1074753391 /nfs/dbraw/zinc/75/33/91/1074753391.db2.gz JPTMTGVNTVOZCJ-QIYGCADZSA-N 1 3 370.541 2.952 20 0 FFADHO [NH3+][C@H]1CC12CCC(NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)CC2 ZINC001551551734 1074754093 /nfs/dbraw/zinc/75/40/93/1074754093.db2.gz FKGYALDTUJMVHF-JMDAGXMHSA-N 1 3 356.514 2.783 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552154189 1075004930 /nfs/dbraw/zinc/00/49/30/1075004930.db2.gz RNBCDYHVQCLCPA-UIFIKXQLSA-N 1 3 355.526 2.745 20 0 FFADHO CCOc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc3c2CNC3)cc1 ZINC001552440014 1075075028 /nfs/dbraw/zinc/07/50/28/1075075028.db2.gz IFUIECUIJYWIKR-NQIIRXRSSA-N 1 3 365.477 2.564 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001553295566 1075274914 /nfs/dbraw/zinc/27/49/14/1075274914.db2.gz KOCOCHNYXANKDS-KSZLIROESA-N 1 3 374.529 2.951 20 0 FFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)CNCCO3)cc1 ZINC001553352200 1075290616 /nfs/dbraw/zinc/29/06/16/1075290616.db2.gz HKLAHMUVVTYCBE-LJQANCHMSA-N 1 3 353.466 2.722 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](Cc3ccccc3)C3CC3)CC2)CC1 ZINC001553561623 1075331799 /nfs/dbraw/zinc/33/17/99/1075331799.db2.gz OKOXFPLGNKAZDY-JOCHJYFZSA-N 1 3 369.553 2.930 20 0 FFADHO CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[C@H](C)N1 ZINC001557661941 1075871761 /nfs/dbraw/zinc/87/17/61/1075871761.db2.gz VDSLBLPWRMIITD-DFQSSKMNSA-N 1 3 355.526 2.888 20 0 FFADHO CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H](C)N1 ZINC001557661941 1075871763 /nfs/dbraw/zinc/87/17/63/1075871763.db2.gz VDSLBLPWRMIITD-DFQSSKMNSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCCSC[C@@H]1C1CC1)c1ccccc1 ZINC001560188631 1076243511 /nfs/dbraw/zinc/24/35/11/1076243511.db2.gz QJNPDJYJGOOFGD-RBUKOAKNSA-N 1 3 361.555 2.623 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCCSC[C@@H]1C1CC1)c1ccccc1 ZINC001560188631 1076243514 /nfs/dbraw/zinc/24/35/14/1076243514.db2.gz QJNPDJYJGOOFGD-RBUKOAKNSA-N 1 3 361.555 2.623 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cccc2ccccc21 ZINC001563984851 1076597649 /nfs/dbraw/zinc/59/76/49/1076597649.db2.gz JKGRBLDFJKKJFJ-SFHVURJKSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cccc2ccccc21 ZINC001563984851 1076597653 /nfs/dbraw/zinc/59/76/53/1076597653.db2.gz JKGRBLDFJKKJFJ-SFHVURJKSA-N 1 3 370.541 2.954 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC001564043242 1076601195 /nfs/dbraw/zinc/60/11/95/1076601195.db2.gz XEBPKPSAVFDJJW-UHFFFAOYSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC001564043242 1076601197 /nfs/dbraw/zinc/60/11/97/1076601197.db2.gz XEBPKPSAVFDJJW-UHFFFAOYSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1)[NH+]1CCCC1 ZINC001565816087 1076770608 /nfs/dbraw/zinc/77/06/08/1076770608.db2.gz XMSXRTVTHUMTFU-KURKYZTESA-N 1 3 364.559 2.781 20 0 FFADHO Cc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001568273508 1077081753 /nfs/dbraw/zinc/08/17/53/1077081753.db2.gz MYZZNDCQEXXAJF-ZMSDIMECSA-N 1 3 351.922 2.925 20 0 FFADHO Cc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001568273508 1077081756 /nfs/dbraw/zinc/08/17/56/1077081756.db2.gz MYZZNDCQEXXAJF-ZMSDIMECSA-N 1 3 351.922 2.925 20 0 FFADHO CCCOc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001570712680 1077223717 /nfs/dbraw/zinc/22/37/17/1077223717.db2.gz PLSOEOZQHOCUFS-SQGPQFPESA-N 1 3 361.530 2.752 20 0 FFADHO CCCOc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001570712680 1077223720 /nfs/dbraw/zinc/22/37/20/1077223720.db2.gz PLSOEOZQHOCUFS-SQGPQFPESA-N 1 3 361.530 2.752 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103301718 250145003 /nfs/dbraw/zinc/14/50/03/250145003.db2.gz RLGVRNRTGUIRDM-GOSISDBHSA-N 1 3 362.562 2.911 20 0 FFADHO Cc1cccc2[nH]cc(CC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c21 ZINC000103433087 250148981 /nfs/dbraw/zinc/14/89/81/250148981.db2.gz MRWGRQFDOLJPEC-UHFFFAOYSA-N 1 3 368.525 2.694 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000105209256 250204363 /nfs/dbraw/zinc/20/43/63/250204363.db2.gz FQZFXPLBOOXRDN-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO CC(C)Oc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000106020585 250228354 /nfs/dbraw/zinc/22/83/54/250228354.db2.gz QPTNNHKNPLXFHV-UHFFFAOYSA-N 1 3 359.514 2.762 20 0 FFADHO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000106912282 250300308 /nfs/dbraw/zinc/30/03/08/250300308.db2.gz JTECPDXOPMFOQW-FQEVSTJZSA-N 1 3 361.530 2.610 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000152968025 251086286 /nfs/dbraw/zinc/08/62/86/251086286.db2.gz QBUKYZLXOJDIFK-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C)CC1 ZINC000272696495 252103689 /nfs/dbraw/zinc/10/36/89/252103689.db2.gz XJAZUSBUZLNFOG-WWNPGLIZSA-N 1 3 372.601 2.759 20 0 FFADHO CC1(C)CN(Cc2ccc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)cc2)CC[C@@H]1O ZINC000275511707 256018534 /nfs/dbraw/zinc/01/85/34/256018534.db2.gz SRSRPGGQJSNSIB-PMACEKPBSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)CN(Cc2ccc(C[N@H+]3CC[C@H](O)C(C)(C)C3)cc2)CC[C@@H]1O ZINC000275511707 256018535 /nfs/dbraw/zinc/01/85/35/256018535.db2.gz SRSRPGGQJSNSIB-PMACEKPBSA-N 1 3 360.542 2.872 20 0 FFADHO CS[C@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275848333 256053337 /nfs/dbraw/zinc/05/33/37/256053337.db2.gz VWDXXEZMEQDYCI-ROUUACIJSA-N 1 3 362.543 2.792 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000275696281 256039068 /nfs/dbraw/zinc/03/90/68/256039068.db2.gz SCHXWKMDMFHTAH-UHFFFAOYSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(CN3CCCC3)c2)CCCO1 ZINC000277321479 256184652 /nfs/dbraw/zinc/18/46/52/256184652.db2.gz ABDHQCDAVSOLPA-GOSISDBHSA-N 1 3 359.514 2.513 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(CN3CCCC3)c2)CCCO1 ZINC000277321479 256184655 /nfs/dbraw/zinc/18/46/55/256184655.db2.gz ABDHQCDAVSOLPA-GOSISDBHSA-N 1 3 359.514 2.513 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000286148034 257022755 /nfs/dbraw/zinc/02/27/55/257022755.db2.gz PUZDSKBAEJXCQE-OAHLLOKOSA-N 1 3 371.447 2.985 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287964377 257133903 /nfs/dbraw/zinc/13/39/03/257133903.db2.gz YYKRITWKQGQEGE-UXPWSPDFSA-N 1 3 368.949 2.970 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287964377 257133904 /nfs/dbraw/zinc/13/39/04/257133904.db2.gz YYKRITWKQGQEGE-UXPWSPDFSA-N 1 3 368.949 2.970 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288362212 257179790 /nfs/dbraw/zinc/17/97/90/257179790.db2.gz KLBFZGOYSUUYCK-FXAWDEMLSA-N 1 3 371.529 2.566 20 0 FFADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288400211 257184742 /nfs/dbraw/zinc/18/47/42/257184742.db2.gz MTPQMMOQOOLYDS-IRLDBZIGSA-N 1 3 353.510 2.738 20 0 FFADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288400211 257184743 /nfs/dbraw/zinc/18/47/43/257184743.db2.gz MTPQMMOQOOLYDS-IRLDBZIGSA-N 1 3 353.510 2.738 20 0 FFADHO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)Cc1ccccc1 ZINC000289231591 257267678 /nfs/dbraw/zinc/26/76/78/257267678.db2.gz UOYKOXZUZJRSPB-BLMTVLTRSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)Cc1ccccc1 ZINC000289231591 257267679 /nfs/dbraw/zinc/26/76/79/257267679.db2.gz UOYKOXZUZJRSPB-BLMTVLTRSA-N 1 3 358.530 2.774 20 0 FFADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1O ZINC000289873611 257304126 /nfs/dbraw/zinc/30/41/26/257304126.db2.gz SGMFSANNZOVKJT-KRWDZBQOSA-N 1 3 369.509 2.999 20 0 FFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000290368787 257328368 /nfs/dbraw/zinc/32/83/68/257328368.db2.gz KBJSUTFHAWKFEO-PMACEKPBSA-N 1 3 358.530 2.781 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000298548492 257920985 /nfs/dbraw/zinc/92/09/85/257920985.db2.gz UIZPDJSQRXMNNF-UHFFFAOYSA-N 1 3 356.558 2.541 20 0 FFADHO CC(C)(CNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000097357630 222175590 /nfs/dbraw/zinc/17/55/90/222175590.db2.gz TZLUAMUUWBHORX-UHFFFAOYSA-N 1 3 372.557 2.999 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414911664 514353215 /nfs/dbraw/zinc/35/32/15/514353215.db2.gz XDRJCICASAGWDN-TZMCWYRMSA-N 1 3 354.292 2.898 20 0 FFADHO CN(Cc1cc2c(c(Br)c1)OCO2)CC1CC[NH+](C)CC1 ZINC000172534318 510776771 /nfs/dbraw/zinc/77/67/71/510776771.db2.gz ODHGCBICBJGTOC-UHFFFAOYSA-N 1 3 355.276 2.951 20 0 FFADHO CN1CCC(C[N@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000172534318 510776778 /nfs/dbraw/zinc/77/67/78/510776778.db2.gz ODHGCBICBJGTOC-UHFFFAOYSA-N 1 3 355.276 2.951 20 0 FFADHO CN1CCC(C[N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000172534318 510776787 /nfs/dbraw/zinc/77/67/87/510776787.db2.gz ODHGCBICBJGTOC-UHFFFAOYSA-N 1 3 355.276 2.951 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000375207277 512211806 /nfs/dbraw/zinc/21/18/06/512211806.db2.gz JRSNVASNDNHJQX-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC000375207277 512211810 /nfs/dbraw/zinc/21/18/10/512211810.db2.gz JRSNVASNDNHJQX-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO COCCN(C)c1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000369140292 512246962 /nfs/dbraw/zinc/24/69/62/512246962.db2.gz QPNWKWQJDXHBOG-OAQYLSRUSA-N 1 3 368.525 2.776 20 0 FFADHO CN(CCNC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000054777774 506619868 /nfs/dbraw/zinc/61/98/68/506619868.db2.gz ZADMHAATKTWQJS-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067735085 506992408 /nfs/dbraw/zinc/99/24/08/506992408.db2.gz DMKLTUCSHCQUGG-OAQYLSRUSA-N 1 3 372.557 2.930 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067735085 506992412 /nfs/dbraw/zinc/99/24/12/506992412.db2.gz DMKLTUCSHCQUGG-OAQYLSRUSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000057042994 507158696 /nfs/dbraw/zinc/15/86/96/507158696.db2.gz CNZXDJQCVAAZME-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000371325891 512330629 /nfs/dbraw/zinc/33/06/29/512330629.db2.gz GXHAODPKERAOKV-SFTDATJTSA-N 1 3 359.558 2.676 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000371325891 512330633 /nfs/dbraw/zinc/33/06/33/512330633.db2.gz GXHAODPKERAOKV-SFTDATJTSA-N 1 3 359.558 2.676 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371336682 512338757 /nfs/dbraw/zinc/33/87/57/512338757.db2.gz QIMOMOUWFQBYQF-QAPCUYQASA-N 1 3 353.457 2.746 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371336682 512338761 /nfs/dbraw/zinc/33/87/61/512338761.db2.gz QIMOMOUWFQBYQF-QAPCUYQASA-N 1 3 353.457 2.746 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000048216205 507481776 /nfs/dbraw/zinc/48/17/76/507481776.db2.gz CBVSRAWLTPMUGZ-UHFFFAOYSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2CCOC)cc1)C(C)C ZINC000069502109 507505432 /nfs/dbraw/zinc/50/54/32/507505432.db2.gz IQTQYRIHVGSEBQ-HXUWFJFHSA-N 1 3 361.530 2.758 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2CCOC)cc1)C(C)C ZINC000069502109 507505435 /nfs/dbraw/zinc/50/54/35/507505435.db2.gz IQTQYRIHVGSEBQ-HXUWFJFHSA-N 1 3 361.530 2.758 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000048395063 507516905 /nfs/dbraw/zinc/51/69/05/507516905.db2.gz FZGGCULDMQZXNW-OAQYLSRUSA-N 1 3 372.557 2.866 20 0 FFADHO COc1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccn1 ZINC000367117143 512346280 /nfs/dbraw/zinc/34/62/80/512346280.db2.gz LNYXCELJUPLURU-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000108297155 507885113 /nfs/dbraw/zinc/88/51/13/507885113.db2.gz AITICHWJJYFMCF-IBGZPJMESA-N 1 3 359.514 2.621 20 0 FFADHO CCN(CC)c1ncc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000377632545 512366832 /nfs/dbraw/zinc/36/68/32/512366832.db2.gz SVTBKNMSCQOJPF-QGZVFWFLSA-N 1 3 365.591 2.590 20 0 FFADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000090028469 507903145 /nfs/dbraw/zinc/90/31/45/507903145.db2.gz TYHIXDSWOMSUJQ-QGZVFWFLSA-N 1 3 352.482 2.758 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000073415513 507920452 /nfs/dbraw/zinc/92/04/52/507920452.db2.gz IYZMSRWHZKPDRT-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[NH+]1CCCC1 ZINC000073594732 507935555 /nfs/dbraw/zinc/93/55/55/507935555.db2.gz PQTANDCIISMWGW-QYZOEREBSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000073620006 507938338 /nfs/dbraw/zinc/93/83/38/507938338.db2.gz BSOUACRDFGNTMR-RTWAWAEBSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000073620006 507938341 /nfs/dbraw/zinc/93/83/41/507938341.db2.gz BSOUACRDFGNTMR-RTWAWAEBSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079168420 507940047 /nfs/dbraw/zinc/94/00/47/507940047.db2.gz CWZJGFHCCKMVDH-GOSISDBHSA-N 1 3 370.541 2.743 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079168420 507940051 /nfs/dbraw/zinc/94/00/51/507940051.db2.gz CWZJGFHCCKMVDH-GOSISDBHSA-N 1 3 370.541 2.743 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000079251012 507947703 /nfs/dbraw/zinc/94/77/03/507947703.db2.gz DJSNRUQZPTZEOJ-MAUKXSAKSA-N 1 3 364.559 2.915 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000079251012 507947706 /nfs/dbraw/zinc/94/77/06/507947706.db2.gz DJSNRUQZPTZEOJ-MAUKXSAKSA-N 1 3 364.559 2.915 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000079504126 507969384 /nfs/dbraw/zinc/96/93/84/507969384.db2.gz CTIFTSVXTJMABZ-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091232811 507972408 /nfs/dbraw/zinc/97/24/08/507972408.db2.gz LKJZTNLZCOQJRI-LJQANCHMSA-N 1 3 373.545 2.671 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091232811 507972412 /nfs/dbraw/zinc/97/24/12/507972412.db2.gz LKJZTNLZCOQJRI-LJQANCHMSA-N 1 3 373.545 2.671 20 0 FFADHO C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000074099196 507985902 /nfs/dbraw/zinc/98/59/02/507985902.db2.gz NBPRHFIOYMSWNK-PKOBYXMFSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000074099196 507985904 /nfs/dbraw/zinc/98/59/04/507985904.db2.gz NBPRHFIOYMSWNK-PKOBYXMFSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)C[NH+]1CCCC1 ZINC000079861746 508008501 /nfs/dbraw/zinc/00/85/01/508008501.db2.gz WCWUGVBNPOTIGD-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCN1C1CCOCC1 ZINC000091824506 508016295 /nfs/dbraw/zinc/01/62/95/508016295.db2.gz WVOQTTVSZARWHR-NRFANRHFSA-N 1 3 371.525 2.907 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[NH+]1CCCCCC1 ZINC000074468694 508025579 /nfs/dbraw/zinc/02/55/79/508025579.db2.gz BFLZSWDMHVZWCC-SFHVURJKSA-N 1 3 358.530 2.637 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000080054331 508030893 /nfs/dbraw/zinc/03/08/93/508030893.db2.gz IXFMNFVOUZBMQH-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000080054331 508030895 /nfs/dbraw/zinc/03/08/95/508030895.db2.gz IXFMNFVOUZBMQH-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000092100935 508043338 /nfs/dbraw/zinc/04/33/38/508043338.db2.gz OTKGDJHMQPWFJW-FQEVSTJZSA-N 1 3 372.557 2.519 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000092100935 508043340 /nfs/dbraw/zinc/04/33/40/508043340.db2.gz OTKGDJHMQPWFJW-FQEVSTJZSA-N 1 3 372.557 2.519 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CCN2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165543 508045942 /nfs/dbraw/zinc/04/59/42/508045942.db2.gz WCCMKTIAGJAAKR-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CCN2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080165543 508045945 /nfs/dbraw/zinc/04/59/45/508045945.db2.gz WCCMKTIAGJAAKR-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000110965422 508060586 /nfs/dbraw/zinc/06/05/86/508060586.db2.gz RRLIWGYXXQLLAV-SFHVURJKSA-N 1 3 369.509 2.877 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000092500756 508075363 /nfs/dbraw/zinc/07/53/63/508075363.db2.gz NPUHERVLQPVFKG-LJQANCHMSA-N 1 3 373.545 2.671 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000092500756 508075367 /nfs/dbraw/zinc/07/53/67/508075367.db2.gz NPUHERVLQPVFKG-LJQANCHMSA-N 1 3 373.545 2.671 20 0 FFADHO CCc1nn(C)c(CC)c1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587617 508085381 /nfs/dbraw/zinc/08/53/81/508085381.db2.gz NXWAGLITLKQTIK-IAGOWNOFSA-N 1 3 362.562 2.866 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000111827325 508126970 /nfs/dbraw/zinc/12/69/70/508126970.db2.gz HTMOSIIMCVVTGH-HXUWFJFHSA-N 1 3 358.530 2.823 20 0 FFADHO COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OCc1ccccc1 ZINC000077450032 508317931 /nfs/dbraw/zinc/31/79/31/508317931.db2.gz DSRRVYRBDICPET-UHFFFAOYSA-N 1 3 370.493 2.821 20 0 FFADHO CC(C)[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1CCCCC1 ZINC000104405683 508334051 /nfs/dbraw/zinc/33/40/51/508334051.db2.gz UFCKTYQVRFXOJS-FQEVSTJZSA-N 1 3 361.530 2.754 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccsc1 ZINC000105123997 508362159 /nfs/dbraw/zinc/36/21/59/508362159.db2.gz AKNCDUCRDYQRLE-KRWDZBQOSA-N 1 3 352.548 2.772 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000077756794 508366808 /nfs/dbraw/zinc/36/68/08/508366808.db2.gz FVVIBSBPOODKNF-LJQANCHMSA-N 1 3 358.486 2.504 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000077838625 508383235 /nfs/dbraw/zinc/38/32/35/508383235.db2.gz FSNLLXIFARPWBG-QGZVFWFLSA-N 1 3 356.461 2.551 20 0 FFADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000152452061 508449366 /nfs/dbraw/zinc/44/93/66/508449366.db2.gz QTOZQYJVQIRFQV-QFBILLFUSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000127498725 508459684 /nfs/dbraw/zinc/45/96/84/508459684.db2.gz XFESIUVPJMWWMI-YVWKXTFCSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000127498725 508459687 /nfs/dbraw/zinc/45/96/87/508459687.db2.gz XFESIUVPJMWWMI-YVWKXTFCSA-N 1 3 361.505 2.979 20 0 FFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152689993 508495738 /nfs/dbraw/zinc/49/57/38/508495738.db2.gz BVNGWBFIKRGGBM-KRWDZBQOSA-N 1 3 360.498 2.935 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](N4CC=CC4)C3)CC2)CC1 ZINC000152709726 508498725 /nfs/dbraw/zinc/49/87/25/508498725.db2.gz IPVJHEVNAMAPOJ-SOAGJPPSSA-N 1 3 360.546 2.685 20 0 FFADHO COc1ccc(F)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122325778 508518216 /nfs/dbraw/zinc/51/82/16/508518216.db2.gz SEBWLJLNYFEAKO-UHFFFAOYSA-N 1 3 364.465 2.514 20 0 FFADHO COc1ccc(C(C)(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000157135107 508528474 /nfs/dbraw/zinc/52/84/74/508528474.db2.gz ZUZJUASWLUJODL-UHFFFAOYSA-N 1 3 373.541 2.648 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1C(F)(F)F ZINC000128081233 508545169 /nfs/dbraw/zinc/54/51/69/508545169.db2.gz SMMRBDGHJQEFHT-KGLIPLIRSA-N 1 3 357.420 2.943 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CCn3cccn3)cc2)CC1 ZINC000157602253 508586200 /nfs/dbraw/zinc/58/62/00/508586200.db2.gz WWVPYOQIBDOXNQ-IBGZPJMESA-N 1 3 355.530 2.589 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000157746635 508605859 /nfs/dbraw/zinc/60/58/59/508605859.db2.gz WUHMYZDVUMBLPZ-UHFFFAOYSA-N 1 3 372.557 2.856 20 0 FFADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000123015831 508622217 /nfs/dbraw/zinc/62/22/17/508622217.db2.gz QKVGKBFUBSPDEW-IBGZPJMESA-N 1 3 358.530 2.636 20 0 FFADHO CCOC(=O)CCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000117877747 508622462 /nfs/dbraw/zinc/62/24/62/508622462.db2.gz YBZPKCAFZHPVFT-HDICACEKSA-N 1 3 354.535 2.931 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123469510 508691705 /nfs/dbraw/zinc/69/17/05/508691705.db2.gz VUSIIHIXYHTYNM-QGZVFWFLSA-N 1 3 363.521 2.927 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)CC[C@@H]21 ZINC000136832477 508719883 /nfs/dbraw/zinc/71/98/83/508719883.db2.gz DCHFVUDVHCLYIE-RTWAWAEBSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)CC[C@@H]21 ZINC000136832477 508719887 /nfs/dbraw/zinc/71/98/87/508719887.db2.gz DCHFVUDVHCLYIE-RTWAWAEBSA-N 1 3 370.541 2.561 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2csc(C)n2)CC1 ZINC000119199046 508746880 /nfs/dbraw/zinc/74/68/80/508746880.db2.gz NPLGMIXVOTYRQC-UHFFFAOYSA-N 1 3 366.575 2.554 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000129764870 508764084 /nfs/dbraw/zinc/76/40/84/508764084.db2.gz XBRUCMDOWCZXIW-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000158932861 508770719 /nfs/dbraw/zinc/77/07/19/508770719.db2.gz AAKZKZSKEMUFOM-UTKZUKDTSA-N 1 3 356.514 2.924 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000154669529 508830569 /nfs/dbraw/zinc/83/05/69/508830569.db2.gz RCHBHWMHSJKHPN-GYSYKLTISA-N 1 3 355.276 2.996 20 0 FFADHO CC[C@@H]1CCCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119870904 508880596 /nfs/dbraw/zinc/88/05/96/508880596.db2.gz YSYXAORNKUKHIF-GOSISDBHSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)o1 ZINC000150759093 508886821 /nfs/dbraw/zinc/88/68/21/508886821.db2.gz WICYKNWRXYPBED-SFHVURJKSA-N 1 3 364.534 2.639 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)o1 ZINC000150759093 508886824 /nfs/dbraw/zinc/88/68/24/508886824.db2.gz WICYKNWRXYPBED-SFHVURJKSA-N 1 3 364.534 2.639 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(CC3CCCC3)C2)[C@H](C)C1 ZINC000151135108 508963649 /nfs/dbraw/zinc/96/36/49/508963649.db2.gz ONVOQCXCNRJDMA-NRSPTQNISA-N 1 3 351.579 2.978 20 0 FFADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCN1C1CCOCC1 ZINC000151268311 508989696 /nfs/dbraw/zinc/98/96/96/508989696.db2.gz UYBSVFRSCAZRHU-OAQYLSRUSA-N 1 3 371.525 2.907 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000371494095 512432490 /nfs/dbraw/zinc/43/24/90/512432490.db2.gz ANZCRLHSWKAVMD-TZIWHRDSSA-N 1 3 370.541 2.574 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000371494095 512432494 /nfs/dbraw/zinc/43/24/94/512432494.db2.gz ANZCRLHSWKAVMD-TZIWHRDSSA-N 1 3 370.541 2.574 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000155656740 509046735 /nfs/dbraw/zinc/04/67/35/509046735.db2.gz FDQISFOPCRGESM-ZWKOTPCHSA-N 1 3 355.530 2.857 20 0 FFADHO CC[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000120744117 509056996 /nfs/dbraw/zinc/05/69/96/509056996.db2.gz PJDDHJYGDUWJRI-INIZCTEOSA-N 1 3 352.548 2.772 20 0 FFADHO CC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000120744117 509056997 /nfs/dbraw/zinc/05/69/97/509056997.db2.gz PJDDHJYGDUWJRI-INIZCTEOSA-N 1 3 352.548 2.772 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000120841252 509074433 /nfs/dbraw/zinc/07/44/33/509074433.db2.gz MKUQURKNDQMWTE-YLJYHZDGSA-N 1 3 370.541 2.884 20 0 FFADHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCCO2 ZINC000132883693 509087125 /nfs/dbraw/zinc/08/71/25/509087125.db2.gz KWGJUPCVQCHKJU-QFBILLFUSA-N 1 3 360.498 2.999 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)N1CCN(C2CCCC2)CC1 ZINC000161602620 509134546 /nfs/dbraw/zinc/13/45/46/509134546.db2.gz QBCLZDQCGRVJOR-UHFFFAOYSA-N 1 3 350.551 2.912 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000156269582 509153309 /nfs/dbraw/zinc/15/33/09/509153309.db2.gz SXLVHOFPLVTHAW-OPYAIIAOSA-N 1 3 357.542 2.786 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000263852436 509186963 /nfs/dbraw/zinc/18/69/63/509186963.db2.gz AMJLNCJUJCMQAF-PMACEKPBSA-N 1 3 358.530 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000263852436 509186971 /nfs/dbraw/zinc/18/69/71/509186971.db2.gz AMJLNCJUJCMQAF-PMACEKPBSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000195636053 509213723 /nfs/dbraw/zinc/21/37/23/509213723.db2.gz GOEFVEIZWVMFJY-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000195636053 509213729 /nfs/dbraw/zinc/21/37/29/509213729.db2.gz GOEFVEIZWVMFJY-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO COc1ccc([C@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000175959504 509238114 /nfs/dbraw/zinc/23/81/14/509238114.db2.gz GUGGRMDYOPLZEH-QGZVFWFLSA-N 1 3 373.541 2.864 20 0 FFADHO CN(C)C(=O)C1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000162608810 509263855 /nfs/dbraw/zinc/26/38/55/509263855.db2.gz SYSDDZUWJJTPDR-UHFFFAOYSA-N 1 3 372.557 2.517 20 0 FFADHO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000248392853 509289760 /nfs/dbraw/zinc/28/97/60/509289760.db2.gz DKDHZNUEARYKBV-IVAOSVALSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248392853 509289763 /nfs/dbraw/zinc/28/97/63/509289763.db2.gz DKDHZNUEARYKBV-IVAOSVALSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248392853 509289765 /nfs/dbraw/zinc/28/97/65/509289765.db2.gz DKDHZNUEARYKBV-IVAOSVALSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H](NC[C@H](O)COCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662054 509291959 /nfs/dbraw/zinc/29/19/59/509291959.db2.gz BOVGHAWNUYSVPJ-HLIPFELVSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@@H](NC[C@H](O)COCc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662054 509291965 /nfs/dbraw/zinc/29/19/65/509291965.db2.gz BOVGHAWNUYSVPJ-HLIPFELVSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000185662054 509291975 /nfs/dbraw/zinc/29/19/75/509291975.db2.gz BOVGHAWNUYSVPJ-HLIPFELVSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@@H](NC1CC[NH+](CCN(C)C)CC1)c1ncc(Br)s1 ZINC000179201329 509317093 /nfs/dbraw/zinc/31/70/93/509317093.db2.gz DBOGAHZJJGOTJD-LLVKDONJSA-N 1 3 361.353 2.582 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248790585 509486322 /nfs/dbraw/zinc/48/63/22/509486322.db2.gz ITQVAHHREUDHLL-NRDMVMEKSA-N 1 3 370.541 2.775 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248790585 509486324 /nfs/dbraw/zinc/48/63/24/509486324.db2.gz ITQVAHHREUDHLL-NRDMVMEKSA-N 1 3 370.541 2.775 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176398623 509487113 /nfs/dbraw/zinc/48/71/13/509487113.db2.gz ZIFYELVMXNTIIT-HCXYKTFWSA-N 1 3 350.551 2.623 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176398623 509487123 /nfs/dbraw/zinc/48/71/23/509487123.db2.gz ZIFYELVMXNTIIT-HCXYKTFWSA-N 1 3 350.551 2.623 20 0 FFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000236730532 509493165 /nfs/dbraw/zinc/49/31/65/509493165.db2.gz ZIPCUBMLBJERKS-WOJBJXKFSA-N 1 3 355.526 2.966 20 0 FFADHO CCCC[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236729996 509493272 /nfs/dbraw/zinc/49/32/72/509493272.db2.gz UBYMOTAFSHMSAE-GOSISDBHSA-N 1 3 367.921 2.817 20 0 FFADHO CCC[NH2+]CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000236795378 509504613 /nfs/dbraw/zinc/50/46/13/509504613.db2.gz YIOFXILRTFQGQR-QGZVFWFLSA-N 1 3 357.420 2.557 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236821000 509509471 /nfs/dbraw/zinc/50/94/71/509509471.db2.gz SGIYESVHJDZUAJ-FQEVSTJZSA-N 1 3 361.530 2.974 20 0 FFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000236818899 509510249 /nfs/dbraw/zinc/51/02/49/509510249.db2.gz RDYVRAITPGZLBK-HXUWFJFHSA-N 1 3 373.541 2.961 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000173309611 509523055 /nfs/dbraw/zinc/52/30/55/509523055.db2.gz NMVFCKUFCQBXMR-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000173309611 509523063 /nfs/dbraw/zinc/52/30/63/509523063.db2.gz NMVFCKUFCQBXMR-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](N)Cc3ccccc3)cc21 ZINC000237001046 509549479 /nfs/dbraw/zinc/54/94/79/509549479.db2.gz PNKRGCKCRKWPQQ-LJQANCHMSA-N 1 3 350.466 2.711 20 0 FFADHO C[N@H+](Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1)C1CCCCC1 ZINC000165882995 509586205 /nfs/dbraw/zinc/58/62/05/509586205.db2.gz WIKSOJYBABASTK-OAQYLSRUSA-N 1 3 373.541 2.836 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1)C1CCCCC1 ZINC000165882995 509586214 /nfs/dbraw/zinc/58/62/14/509586214.db2.gz WIKSOJYBABASTK-OAQYLSRUSA-N 1 3 373.541 2.836 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccs1 ZINC000173422254 509587907 /nfs/dbraw/zinc/58/79/07/509587907.db2.gz GTAUZULVBFMLGW-HOTGVXAUSA-N 1 3 352.548 2.867 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccs1 ZINC000173422254 509587913 /nfs/dbraw/zinc/58/79/13/509587913.db2.gz GTAUZULVBFMLGW-HOTGVXAUSA-N 1 3 352.548 2.867 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1Cl ZINC000237196752 509591817 /nfs/dbraw/zinc/59/18/17/509591817.db2.gz OCUHGWRSSYDZOG-UHFFFAOYSA-N 1 3 353.894 2.999 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176583067 509595927 /nfs/dbraw/zinc/59/59/27/509595927.db2.gz PEIBLJHPEMFOTB-ROUUACIJSA-N 1 3 364.509 2.772 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000176585707 509597941 /nfs/dbraw/zinc/59/79/41/509597941.db2.gz ZCYMCKQEDCBEAK-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000186272331 509614538 /nfs/dbraw/zinc/61/45/38/509614538.db2.gz ZPZKJBYCPFZCDE-VQTJNVASSA-N 1 3 358.530 2.633 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176630069 509618512 /nfs/dbraw/zinc/61/85/12/509618512.db2.gz MNQKXUZTSBWDFT-SJLPKXTDSA-N 1 3 362.518 2.758 20 0 FFADHO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000183136984 509619925 /nfs/dbraw/zinc/61/99/25/509619925.db2.gz RGAMPXFILOTVLH-TUFLPTIASA-N 1 3 365.525 2.792 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)CN1CCOCC1 ZINC000183144448 509625050 /nfs/dbraw/zinc/62/50/50/509625050.db2.gz UQBATDIXUNUMSL-YPIGPJMWSA-N 1 3 371.569 2.845 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCC[C@@H]2CC)[C@H](C)C1 ZINC000249258143 509641669 /nfs/dbraw/zinc/64/16/69/509641669.db2.gz HPBBDOQQCJLUMI-ZRNYENFQSA-N 1 3 367.578 2.893 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173563874 509654741 /nfs/dbraw/zinc/65/47/41/509654741.db2.gz GPZBXVXVOQAGAI-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173563874 509654747 /nfs/dbraw/zinc/65/47/47/509654747.db2.gz GPZBXVXVOQAGAI-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](NC1(CNC(=O)CCC2CC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000237524914 509668639 /nfs/dbraw/zinc/66/86/39/509668639.db2.gz VIBNUODRQTYIDD-SFHVURJKSA-N 1 3 373.541 2.782 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000249421519 509677593 /nfs/dbraw/zinc/67/75/93/509677593.db2.gz HQZDKPOXLMKOCU-OMZCGLGVSA-N 1 3 367.578 2.796 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237573117 509681430 /nfs/dbraw/zinc/68/14/30/509681430.db2.gz BNGNDNMVWCQUCV-YLJYHZDGSA-N 1 3 373.541 2.855 20 0 FFADHO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H](N)c1ccccc1 ZINC000237618751 509692019 /nfs/dbraw/zinc/69/20/19/509692019.db2.gz AUXOTDDSFPXHLB-OXQOHEQNSA-N 1 3 355.482 2.579 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc2)CC1 ZINC000173641678 509693444 /nfs/dbraw/zinc/69/34/44/509693444.db2.gz VOQKWKFIDMSKQX-FQEVSTJZSA-N 1 3 374.573 2.925 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000189719476 509719326 /nfs/dbraw/zinc/71/93/26/509719326.db2.gz LEVHWUKGWKPABQ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CC1CCN(C2CCC([NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)CC2)CC1 ZINC000183383308 509753763 /nfs/dbraw/zinc/75/37/63/509753763.db2.gz GUYBNJBEQMADSR-WZOJCFFYSA-N 1 3 356.576 2.975 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000249995345 509784841 /nfs/dbraw/zinc/78/48/41/509784841.db2.gz OAAHWECCIMFANY-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000249995345 509784843 /nfs/dbraw/zinc/78/48/43/509784843.db2.gz OAAHWECCIMFANY-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000252733909 509858021 /nfs/dbraw/zinc/85/80/21/509858021.db2.gz SZUOUKNJFMTSRU-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000252733909 509858031 /nfs/dbraw/zinc/85/80/31/509858031.db2.gz SZUOUKNJFMTSRU-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]2CCCC[C@H]12 ZINC000183729692 509948354 /nfs/dbraw/zinc/94/83/54/509948354.db2.gz ZZFHQFDQAKXELZ-AHRSYUTCSA-N 1 3 362.562 2.765 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+](C)C(C)C)c(C)c2)CC1 ZINC000171115659 509952390 /nfs/dbraw/zinc/95/23/90/509952390.db2.gz NWBKIBCVSIFYKK-UHFFFAOYSA-N 1 3 361.534 2.599 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+](C)C(C)C)c(C)c2)CC1 ZINC000171115659 509952393 /nfs/dbraw/zinc/95/23/93/509952393.db2.gz NWBKIBCVSIFYKK-UHFFFAOYSA-N 1 3 361.534 2.599 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171130319 509960618 /nfs/dbraw/zinc/96/06/18/509960618.db2.gz HEPSLSLEMUXCNA-OAHLLOKOSA-N 1 3 361.511 2.507 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000268526482 509989196 /nfs/dbraw/zinc/98/91/96/509989196.db2.gz HHAKCXLCESQYCJ-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000268526482 509989202 /nfs/dbraw/zinc/98/92/02/509989202.db2.gz HHAKCXLCESQYCJ-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261604654 509998213 /nfs/dbraw/zinc/99/82/13/509998213.db2.gz AKCXUBHBXROUOQ-CBGDNZLLSA-N 1 3 373.541 2.535 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000171303828 510068076 /nfs/dbraw/zinc/06/80/76/510068076.db2.gz CKMLTSSHNARCKY-HUUCEWRRSA-N 1 3 352.441 2.777 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245664475 510070735 /nfs/dbraw/zinc/07/07/35/510070735.db2.gz GKOITZIDHAHLRO-XXTHSBEZSA-N 1 3 370.585 2.798 20 0 FFADHO CNC(=O)c1cccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177499414 510098011 /nfs/dbraw/zinc/09/80/11/510098011.db2.gz HGOLSCCTDGPFMW-ROUUACIJSA-N 1 3 373.541 2.758 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000174511844 510151891 /nfs/dbraw/zinc/15/18/91/510151891.db2.gz BDKZMGAAXQMMIC-RTBURBONSA-N 1 3 361.505 2.838 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000174511844 510151900 /nfs/dbraw/zinc/15/19/00/510151900.db2.gz BDKZMGAAXQMMIC-RTBURBONSA-N 1 3 361.505 2.838 20 0 FFADHO OC1CC[NH+](CCCN[C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193977812 510159197 /nfs/dbraw/zinc/15/91/97/510159197.db2.gz ZFFOVHKKOLAGCZ-QGZVFWFLSA-N 1 3 353.304 2.873 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000268961560 510163001 /nfs/dbraw/zinc/16/30/01/510163001.db2.gz FUEHCSCNFPIPQB-HNNXBMFYSA-N 1 3 369.303 2.709 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262137819 510188575 /nfs/dbraw/zinc/18/85/75/510188575.db2.gz YUXYNXHUESMEBS-MOPGFXCFSA-N 1 3 361.555 2.951 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000245963312 510230353 /nfs/dbraw/zinc/23/03/53/510230353.db2.gz MYBSQNQXOKABHA-WCIQWLHISA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000245963312 510230361 /nfs/dbraw/zinc/23/03/61/510230361.db2.gz MYBSQNQXOKABHA-WCIQWLHISA-N 1 3 364.578 2.870 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000171571382 510230900 /nfs/dbraw/zinc/23/09/00/510230900.db2.gz WOPDNSBJEKDRNR-JXFKEZNVSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000171571382 510230907 /nfs/dbraw/zinc/23/09/07/510230907.db2.gz WOPDNSBJEKDRNR-JXFKEZNVSA-N 1 3 374.529 2.614 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245965939 510232257 /nfs/dbraw/zinc/23/22/57/510232257.db2.gz UHUCFODEMBQKCU-YLJYHZDGSA-N 1 3 373.545 2.781 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245965939 510232260 /nfs/dbraw/zinc/23/22/60/510232260.db2.gz UHUCFODEMBQKCU-YLJYHZDGSA-N 1 3 373.545 2.781 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000245997871 510242907 /nfs/dbraw/zinc/24/29/07/510242907.db2.gz RMTILEGACHTXRW-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000245997871 510242916 /nfs/dbraw/zinc/24/29/16/510242916.db2.gz RMTILEGACHTXRW-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000262321107 510243148 /nfs/dbraw/zinc/24/31/48/510243148.db2.gz CSUOWOLAKBYYPQ-ICSRJNTNSA-N 1 3 373.541 2.562 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC000269303602 510332386 /nfs/dbraw/zinc/33/23/86/510332386.db2.gz RVXMEDZERGHFPS-OAQYLSRUSA-N 1 3 366.509 2.505 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000262648081 510351589 /nfs/dbraw/zinc/35/15/89/510351589.db2.gz PPDUSOMJCCLGJK-LMNJBCLMSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(Cc2ccccc2)CC1 ZINC000262651041 510352364 /nfs/dbraw/zinc/35/23/64/510352364.db2.gz VHCOSXZQPQMKMF-UIFIKXQLSA-N 1 3 355.526 2.683 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000262664721 510358610 /nfs/dbraw/zinc/35/86/10/510358610.db2.gz IPAHJRYJAIIOSF-IZBJGVDFSA-N 1 3 361.530 2.576 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000262664721 510358614 /nfs/dbraw/zinc/35/86/14/510358614.db2.gz IPAHJRYJAIIOSF-IZBJGVDFSA-N 1 3 361.530 2.576 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000246204209 510359904 /nfs/dbraw/zinc/35/99/04/510359904.db2.gz FEWFEZRSQNEEQE-NRSPTQNISA-N 1 3 370.541 2.683 20 0 FFADHO CC[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000262673642 510363020 /nfs/dbraw/zinc/36/30/20/510363020.db2.gz QIRWZRIVCNJZLM-FBBABVLZSA-N 1 3 357.542 2.965 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246242675 510385596 /nfs/dbraw/zinc/38/55/96/510385596.db2.gz DJAFPKQWEIMTMF-NSHGMRRFSA-N 1 3 362.562 2.909 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246242675 510385602 /nfs/dbraw/zinc/38/56/02/510385602.db2.gz DJAFPKQWEIMTMF-NSHGMRRFSA-N 1 3 362.562 2.909 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262739865 510391718 /nfs/dbraw/zinc/39/17/18/510391718.db2.gz JFZCJDWCNUIIMQ-LJQANCHMSA-N 1 3 369.513 2.532 20 0 FFADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1(C)C ZINC000262757836 510399717 /nfs/dbraw/zinc/39/97/17/510399717.db2.gz CCWOLYQICUZSSW-OGWOLHLISA-N 1 3 365.543 2.534 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@H]1c1cccs1 ZINC000246297099 510413957 /nfs/dbraw/zinc/41/39/57/510413957.db2.gz NTCVYFOSUFHEGH-AOIWGVFYSA-N 1 3 357.523 2.817 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@H]1c1cccs1 ZINC000246297099 510413962 /nfs/dbraw/zinc/41/39/62/510413962.db2.gz NTCVYFOSUFHEGH-AOIWGVFYSA-N 1 3 357.523 2.817 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000246333074 510432085 /nfs/dbraw/zinc/43/20/85/510432085.db2.gz IDNKDTGOSTZPFT-QZTJIDSGSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000246333074 510432094 /nfs/dbraw/zinc/43/20/94/510432094.db2.gz IDNKDTGOSTZPFT-QZTJIDSGSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CSCCN2)C1 ZINC000246343607 510438484 /nfs/dbraw/zinc/43/84/84/510438484.db2.gz VUKSDXFMYWXPBR-LPHOPBHVSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CSCCN2)C1 ZINC000246343607 510438488 /nfs/dbraw/zinc/43/84/88/510438488.db2.gz VUKSDXFMYWXPBR-LPHOPBHVSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1ccccc1Br ZINC000246372010 510452883 /nfs/dbraw/zinc/45/28/83/510452883.db2.gz JKGHDBDAONGWIW-IXYNUQLISA-N 1 3 371.319 2.507 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1ccccc1Br ZINC000246372010 510452889 /nfs/dbraw/zinc/45/28/89/510452889.db2.gz JKGHDBDAONGWIW-IXYNUQLISA-N 1 3 371.319 2.507 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246410002 510474666 /nfs/dbraw/zinc/47/46/66/510474666.db2.gz URSMBHQSPLVGKY-WIYYLYMNSA-N 1 3 372.557 2.941 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246410002 510474671 /nfs/dbraw/zinc/47/46/71/510474671.db2.gz URSMBHQSPLVGKY-WIYYLYMNSA-N 1 3 372.557 2.941 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000184751397 510500451 /nfs/dbraw/zinc/50/04/51/510500451.db2.gz RZGNURJQRCYOES-GJZGRUSLSA-N 1 3 371.447 2.753 20 0 FFADHO C[C@H]([NH3+])c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000178248614 510509235 /nfs/dbraw/zinc/50/92/35/510509235.db2.gz SMCYFIYHWKSPGT-KRWDZBQOSA-N 1 3 352.482 2.857 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000178280820 510524774 /nfs/dbraw/zinc/52/47/74/510524774.db2.gz SOYNXMAMOWABST-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+](CC)CC)c2)C1(C)C ZINC000188065793 510574395 /nfs/dbraw/zinc/57/43/95/510574395.db2.gz KSYOLKLUTREPMO-WIYYLYMNSA-N 1 3 361.530 2.677 20 0 FFADHO O[C@H](COCc1cccs1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246849676 510709731 /nfs/dbraw/zinc/70/97/31/510709731.db2.gz PBCONQBJDFNDGV-IEZWGBDMSA-N 1 3 350.528 2.574 20 0 FFADHO O[C@H](COCc1cccs1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246849676 510709738 /nfs/dbraw/zinc/70/97/38/510709738.db2.gz PBCONQBJDFNDGV-IEZWGBDMSA-N 1 3 350.528 2.574 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175665081 510722188 /nfs/dbraw/zinc/72/21/88/510722188.db2.gz HMTZCNQZBJXQET-HXUWFJFHSA-N 1 3 372.557 2.866 20 0 FFADHO CN(C/C=C/C[N@H+](C)[C@@H](CO)c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000270319552 510760915 /nfs/dbraw/zinc/76/09/15/510760915.db2.gz KAWJIWBBJPFMIY-UPYVZJKUSA-N 1 3 354.494 2.873 20 0 FFADHO CN(C/C=C/C[N@@H+](C)[C@@H](CO)c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000270319552 510760920 /nfs/dbraw/zinc/76/09/20/510760920.db2.gz KAWJIWBBJPFMIY-UPYVZJKUSA-N 1 3 354.494 2.873 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)CCC4)CC2)CC1 ZINC000195341138 510792267 /nfs/dbraw/zinc/79/22/67/510792267.db2.gz ZQSOYGAGVDGKBQ-UHFFFAOYSA-N 1 3 356.514 2.855 20 0 FFADHO CC(C)(CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000195343459 510792952 /nfs/dbraw/zinc/79/29/52/510792952.db2.gz REBPPDBBGBXSIY-UHFFFAOYSA-N 1 3 355.526 2.814 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247007923 510796414 /nfs/dbraw/zinc/79/64/14/510796414.db2.gz XEHIBGBQSTXULB-MDKPJZGXSA-N 1 3 369.509 2.856 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247007923 510796419 /nfs/dbraw/zinc/79/64/19/510796419.db2.gz XEHIBGBQSTXULB-MDKPJZGXSA-N 1 3 369.509 2.856 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000247045141 510814765 /nfs/dbraw/zinc/81/47/65/510814765.db2.gz WJMSIVQJAUJJJL-VQFNDLOPSA-N 1 3 350.551 2.669 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000247183507 510849626 /nfs/dbraw/zinc/84/96/26/510849626.db2.gz VJBHNIBOCQKCPT-ILWGZMRPSA-N 1 3 358.574 2.685 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCN2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247242560 510853851 /nfs/dbraw/zinc/85/38/51/510853851.db2.gz ZBJFREPEPBYPBS-UNMCSNQZSA-N 1 3 358.574 2.827 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000364463621 510880627 /nfs/dbraw/zinc/88/06/27/510880627.db2.gz UFLSOFXRRHBXLQ-XLIONFOSSA-N 1 3 359.514 2.728 20 0 FFADHO C[C@@H](N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ncc(Br)cc1F ZINC000275383645 510893681 /nfs/dbraw/zinc/89/36/81/510893681.db2.gz XVSGIRMQDWCVGA-QWHCGFSZSA-N 1 3 373.314 2.660 20 0 FFADHO Cc1cccc(CC2(O)CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)c1 ZINC000282229354 510895052 /nfs/dbraw/zinc/89/50/52/510895052.db2.gz ZGGPFJDVTWUJLL-UHFFFAOYSA-N 1 3 373.585 2.781 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000285425554 510900890 /nfs/dbraw/zinc/90/08/90/510900890.db2.gz YIHNJOSZNUBBKV-RTBURBONSA-N 1 3 352.544 2.972 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000285425554 510900896 /nfs/dbraw/zinc/90/08/96/510900896.db2.gz YIHNJOSZNUBBKV-RTBURBONSA-N 1 3 352.544 2.972 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276318336 510933860 /nfs/dbraw/zinc/93/38/60/510933860.db2.gz WCCUSJVXHFTPAI-QGZVFWFLSA-N 1 3 360.546 2.662 20 0 FFADHO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1O ZINC000277285037 510958428 /nfs/dbraw/zinc/95/84/28/510958428.db2.gz SXBABMSTHFYNGB-MRXNPFEDSA-N 1 3 373.497 2.847 20 0 FFADHO CN(C[C@H]1CN(Cc2ccccc2)CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285575997 510962710 /nfs/dbraw/zinc/96/27/10/510962710.db2.gz SYFZGTBNNBCCCJ-PJEZACDQSA-N 1 3 357.542 2.835 20 0 FFADHO CN(C[C@H]1CN(Cc2ccccc2)CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285575997 510962712 /nfs/dbraw/zinc/96/27/12/510962712.db2.gz SYFZGTBNNBCCCJ-PJEZACDQSA-N 1 3 357.542 2.835 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3ccc(OC)cc3C2)[C@@H](C)C1 ZINC000297507199 510971849 /nfs/dbraw/zinc/97/18/49/510971849.db2.gz CJDMPCVFILSTNF-HQRMLTQVSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3ccc(OC)cc3C2)[C@@H](C)C1 ZINC000297507199 510971855 /nfs/dbraw/zinc/97/18/55/510971855.db2.gz CJDMPCVFILSTNF-HQRMLTQVSA-N 1 3 362.514 2.725 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000297759519 511059670 /nfs/dbraw/zinc/05/96/70/511059670.db2.gz KQEQCTHLOZMNPR-NXEWRWPSSA-N 1 3 358.530 2.776 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000297759519 511059677 /nfs/dbraw/zinc/05/96/77/511059677.db2.gz KQEQCTHLOZMNPR-NXEWRWPSSA-N 1 3 358.530 2.776 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2=CCN(C)CC2)CC1 ZINC000361985445 511112146 /nfs/dbraw/zinc/11/21/46/511112146.db2.gz ICVFTKZWVSTQGI-KRWDZBQOSA-N 1 3 356.514 2.773 20 0 FFADHO C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C[C@H]1[NH3+] ZINC000333376506 511223934 /nfs/dbraw/zinc/22/39/34/511223934.db2.gz VSWDYBLQWSYDJB-SWLSCSKDSA-N 1 3 366.893 2.624 20 0 FFADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271795854 511327558 /nfs/dbraw/zinc/32/75/58/511327558.db2.gz XEHVHVZWAKYEEL-INIZCTEOSA-N 1 3 367.559 2.743 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1cccc(Cl)c1Cl ZINC000298599663 511343321 /nfs/dbraw/zinc/34/33/21/511343321.db2.gz ZBCSCCVOYLBHAM-AWEZNQCLSA-N 1 3 359.297 2.950 20 0 FFADHO C[C@@H]1C[C@H](NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[C@H](C)O1 ZINC000295270948 511345183 /nfs/dbraw/zinc/34/51/83/511345183.db2.gz VQQLOWANFYIINJ-WWMYMODYSA-N 1 3 362.514 2.832 20 0 FFADHO C[C@@H]1C[C@H](NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@H](C)O1 ZINC000295270948 511345186 /nfs/dbraw/zinc/34/51/86/511345186.db2.gz VQQLOWANFYIINJ-WWMYMODYSA-N 1 3 362.514 2.832 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCN3CCC4(CCCCC4)CC3)C[C@H]21 ZINC000333793289 511358192 /nfs/dbraw/zinc/35/81/92/511358192.db2.gz MTDQLBSCSCZZDH-IPMKNSEASA-N 1 3 362.562 2.802 20 0 FFADHO CC1(CNC(=O)NCCN2CCC3(CCCCC3)CC2)CC[NH2+]CC1 ZINC000333825352 511366906 /nfs/dbraw/zinc/36/69/06/511366906.db2.gz RTUQGXNKQLZKOK-UHFFFAOYSA-N 1 3 350.551 2.722 20 0 FFADHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000283466473 511377022 /nfs/dbraw/zinc/37/70/22/511377022.db2.gz ZFSLPDBBTCANNX-IBGZPJMESA-N 1 3 361.530 2.915 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000283468488 511378313 /nfs/dbraw/zinc/37/83/13/511378313.db2.gz ZIEJTDAGXXVLPE-JOCHJYFZSA-N 1 3 359.558 2.774 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000283468488 511378318 /nfs/dbraw/zinc/37/83/18/511378318.db2.gz ZIEJTDAGXXVLPE-JOCHJYFZSA-N 1 3 359.558 2.774 20 0 FFADHO CCOc1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1O ZINC000298700499 511379932 /nfs/dbraw/zinc/37/99/32/511379932.db2.gz PFYJOOQCBZYPFH-UHFFFAOYSA-N 1 3 369.509 2.828 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000291964835 511410437 /nfs/dbraw/zinc/41/04/37/511410437.db2.gz XQXTZJWRYVKIQH-MSOLQXFVSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292166386 511491085 /nfs/dbraw/zinc/49/10/85/511491085.db2.gz NWSAYEMRSMYPTQ-ORYQWCPZSA-N 1 3 373.541 2.807 20 0 FFADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000283824155 511511930 /nfs/dbraw/zinc/51/19/30/511511930.db2.gz DFNRLSINQKPSIR-UHFFFAOYSA-N 1 3 353.466 2.548 20 0 FFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(Br)ncc1F ZINC000273810785 511617625 /nfs/dbraw/zinc/61/76/25/511617625.db2.gz AUAVAKHLIKSMLQ-LBPRGKRZSA-N 1 3 373.314 2.660 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000284213566 511643810 /nfs/dbraw/zinc/64/38/10/511643810.db2.gz GYHLDRXJKKYWQW-SSSFQFABSA-N 1 3 360.542 2.930 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000284213566 511643815 /nfs/dbraw/zinc/64/38/15/511643815.db2.gz GYHLDRXJKKYWQW-SSSFQFABSA-N 1 3 360.542 2.930 20 0 FFADHO Ic1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000310963745 511774907 /nfs/dbraw/zinc/77/49/07/511774907.db2.gz FEFPSABVINEFCS-ZDUSSCGKSA-N 1 3 356.251 2.865 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3(C[NH+](C)C)CCC3)c(C)c2)CC1 ZINC000281243542 511773081 /nfs/dbraw/zinc/77/30/81/511773081.db2.gz GFNPTGNIWKXPOQ-UHFFFAOYSA-N 1 3 373.545 2.743 20 0 FFADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000281386244 511826822 /nfs/dbraw/zinc/82/68/22/511826822.db2.gz PMNSDEYSWBWIDB-UHFFFAOYSA-N 1 3 372.513 2.560 20 0 FFADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000281386244 511826826 /nfs/dbraw/zinc/82/68/26/511826826.db2.gz PMNSDEYSWBWIDB-UHFFFAOYSA-N 1 3 372.513 2.560 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000293131932 511852781 /nfs/dbraw/zinc/85/27/81/511852781.db2.gz ZWWPQNONDUQGAC-IRLDBZIGSA-N 1 3 355.526 2.988 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000293131932 511852784 /nfs/dbraw/zinc/85/27/84/511852784.db2.gz ZWWPQNONDUQGAC-IRLDBZIGSA-N 1 3 355.526 2.988 20 0 FFADHO COCC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCOCC1 ZINC000293221111 511885405 /nfs/dbraw/zinc/88/54/05/511885405.db2.gz AKVUNMRDFNKMNH-KRWDZBQOSA-N 1 3 350.503 2.721 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)c2)CC1 ZINC000274779469 511940450 /nfs/dbraw/zinc/94/04/50/511940450.db2.gz FJVWQBLPRDPLCN-KRWDZBQOSA-N 1 3 371.529 2.600 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)c2)CC1 ZINC000274779469 511940453 /nfs/dbraw/zinc/94/04/53/511940453.db2.gz FJVWQBLPRDPLCN-KRWDZBQOSA-N 1 3 371.529 2.600 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)CC1 ZINC000274811879 511949332 /nfs/dbraw/zinc/94/93/32/511949332.db2.gz NALXEMWCXBREJM-WOJBJXKFSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2)CC1 ZINC000274811879 511949337 /nfs/dbraw/zinc/94/93/37/511949337.db2.gz NALXEMWCXBREJM-WOJBJXKFSA-N 1 3 371.529 2.577 20 0 FFADHO COc1ccc(C[C@H](C)C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1F ZINC000282123066 512081983 /nfs/dbraw/zinc/08/19/83/512081983.db2.gz AYGUNYQMZLAXIF-INIZCTEOSA-N 1 3 351.510 2.629 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000375891684 512556179 /nfs/dbraw/zinc/55/61/79/512556179.db2.gz WNBAXDCQLPURDB-ADHGMGHFSA-N 1 3 367.534 2.521 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375891684 512556184 /nfs/dbraw/zinc/55/61/84/512556184.db2.gz WNBAXDCQLPURDB-ADHGMGHFSA-N 1 3 367.534 2.521 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375891684 512556188 /nfs/dbraw/zinc/55/61/88/512556188.db2.gz WNBAXDCQLPURDB-ADHGMGHFSA-N 1 3 367.534 2.521 20 0 FFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCC[C@@H]1CN1CCOCC1 ZINC000411287005 512563227 /nfs/dbraw/zinc/56/32/27/512563227.db2.gz ABSNENQQCSZIAL-JOCHJYFZSA-N 1 3 357.542 2.969 20 0 FFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000411311912 512576136 /nfs/dbraw/zinc/57/61/36/512576136.db2.gz SFISUPYIPKUHMI-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000367597570 512577774 /nfs/dbraw/zinc/57/77/74/512577774.db2.gz BTXYYEIMHYCIDS-MXEMCNAFSA-N 1 3 355.526 2.683 20 0 FFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000367597570 512577777 /nfs/dbraw/zinc/57/77/77/512577777.db2.gz BTXYYEIMHYCIDS-MXEMCNAFSA-N 1 3 355.526 2.683 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000373933452 512578591 /nfs/dbraw/zinc/57/85/91/512578591.db2.gz LRKNLBNBPRZMTO-FUHWJXTLSA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000373933452 512578593 /nfs/dbraw/zinc/57/85/93/512578593.db2.gz LRKNLBNBPRZMTO-FUHWJXTLSA-N 1 3 360.502 2.512 20 0 FFADHO COc1ccc([C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000411460336 512646147 /nfs/dbraw/zinc/64/61/47/512646147.db2.gz OJJQMLYMBIAADJ-NRFANRHFSA-N 1 3 361.530 2.971 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000369873661 512659103 /nfs/dbraw/zinc/65/91/03/512659103.db2.gz UIDBTWRUXMCTIK-LEWJYISDSA-N 1 3 368.525 2.554 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000369873661 512659110 /nfs/dbraw/zinc/65/91/10/512659110.db2.gz UIDBTWRUXMCTIK-LEWJYISDSA-N 1 3 368.525 2.554 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc3ccccc3c(=O)[nH]2)[C@@H](C)C1 ZINC000411557067 512687482 /nfs/dbraw/zinc/68/74/82/512687482.db2.gz YRAHVGNTIPMYNQ-FUHWJXTLSA-N 1 3 372.513 2.605 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc3ccccc3c(=O)[nH]2)[C@@H](C)C1 ZINC000411557067 512687485 /nfs/dbraw/zinc/68/74/85/512687485.db2.gz YRAHVGNTIPMYNQ-FUHWJXTLSA-N 1 3 372.513 2.605 20 0 FFADHO C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000376203553 512708988 /nfs/dbraw/zinc/70/89/88/512708988.db2.gz PEDYZJRDYIGCEF-APWZRJJASA-N 1 3 351.922 2.677 20 0 FFADHO C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000376203553 512708990 /nfs/dbraw/zinc/70/89/90/512708990.db2.gz PEDYZJRDYIGCEF-APWZRJJASA-N 1 3 351.922 2.677 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370114061 512774190 /nfs/dbraw/zinc/77/41/90/512774190.db2.gz TUHAHNADLSGHLH-RTWAWAEBSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370114061 512774191 /nfs/dbraw/zinc/77/41/91/512774191.db2.gz TUHAHNADLSGHLH-RTWAWAEBSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CC[NH+](C)CC1 ZINC000370129079 512782245 /nfs/dbraw/zinc/78/22/45/512782245.db2.gz KUWIRTHRMNCXFL-XLIONFOSSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378530274 512810146 /nfs/dbraw/zinc/81/01/46/512810146.db2.gz QINXJXQKGOPBAF-VMXMFDLUSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378530274 512810149 /nfs/dbraw/zinc/81/01/49/512810149.db2.gz QINXJXQKGOPBAF-VMXMFDLUSA-N 1 3 370.541 2.633 20 0 FFADHO COC[C@]1(C(=O)OC)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411798728 512817753 /nfs/dbraw/zinc/81/77/53/512817753.db2.gz SIPXRUYDPVVZGV-NRFANRHFSA-N 1 3 360.498 2.684 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@@H]2CC[N@@H+]4CCC[C@@H]4C2)CC3)cc1 ZINC000378555017 512820599 /nfs/dbraw/zinc/82/05/99/512820599.db2.gz WXZPSQUOMVGREE-KZNAEPCWSA-N 1 3 355.461 2.615 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@@H]2CC[N@H+]4CCC[C@@H]4C2)CC3)cc1 ZINC000378555017 512820606 /nfs/dbraw/zinc/82/06/06/512820606.db2.gz WXZPSQUOMVGREE-KZNAEPCWSA-N 1 3 355.461 2.615 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCC(F)(F)CC3)CC2)CC1 ZINC000374493469 512857904 /nfs/dbraw/zinc/85/79/04/512857904.db2.gz XZPBHXDXAUBHTQ-UHFFFAOYSA-N 1 3 372.504 2.670 20 0 FFADHO O[C@H](COCc1ccco1)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000383736715 512882215 /nfs/dbraw/zinc/88/22/15/512882215.db2.gz ABYBEPXNFNPAAQ-ACRUOGEOSA-N 1 3 370.493 2.611 20 0 FFADHO O[C@H](COCc1ccco1)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000383736715 512882217 /nfs/dbraw/zinc/88/22/17/512882217.db2.gz ABYBEPXNFNPAAQ-ACRUOGEOSA-N 1 3 370.493 2.611 20 0 FFADHO [NH3+][C@@H]1C[C@H](NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000390893788 512912518 /nfs/dbraw/zinc/91/25/18/512912518.db2.gz BQCFAYAWPXNBIN-YADHBBJMSA-N 1 3 350.510 2.539 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394472298 512936570 /nfs/dbraw/zinc/93/65/70/512936570.db2.gz YJFBLNODRYIELF-FQEVSTJZSA-N 1 3 367.493 2.553 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412094658 512957017 /nfs/dbraw/zinc/95/70/17/512957017.db2.gz SMWVTJYOMJVMSC-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1C[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412094658 512957019 /nfs/dbraw/zinc/95/70/19/512957019.db2.gz SMWVTJYOMJVMSC-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1CN1CCC[C@H](CO)[C@@H]1C ZINC000412094658 512957023 /nfs/dbraw/zinc/95/70/23/512957023.db2.gz SMWVTJYOMJVMSC-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1CN1CCC[C@H](CO)[C@@H]1C ZINC000412094658 512957027 /nfs/dbraw/zinc/95/70/27/512957027.db2.gz SMWVTJYOMJVMSC-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000370671405 513044412 /nfs/dbraw/zinc/04/44/12/513044412.db2.gz QYMQVJVEABCJMD-HNAYVOBHSA-N 1 3 354.498 2.934 20 0 FFADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000370671403 513044710 /nfs/dbraw/zinc/04/47/10/513044710.db2.gz QYMQVJVEABCJMD-BEFAXECRSA-N 1 3 354.498 2.934 20 0 FFADHO C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000376976949 513075336 /nfs/dbraw/zinc/07/53/36/513075336.db2.gz HDRXUQWOUGTXPU-WQUXRXDGSA-N 1 3 358.530 2.994 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCC1 ZINC000445866055 513132326 /nfs/dbraw/zinc/13/23/26/513132326.db2.gz JNUHUAJWEUTBGT-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC2([NH+](C)C)CCC2)[C@H]1c1cccs1 ZINC000445873285 513134832 /nfs/dbraw/zinc/13/48/32/513134832.db2.gz DQQYYYGMJWTJHY-WBVHZDCISA-N 1 3 364.559 2.915 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000417689568 513163706 /nfs/dbraw/zinc/16/37/06/513163706.db2.gz KLCFVLRTIGPEDH-XRULBBBTSA-N 1 3 370.541 2.981 20 0 FFADHO COc1cc(OCCN(C)C)ccc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000412564037 513164601 /nfs/dbraw/zinc/16/46/01/513164601.db2.gz NGKZUDGWSGYWMM-UHFFFAOYSA-N 1 3 363.502 2.695 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000417692236 513164890 /nfs/dbraw/zinc/16/48/90/513164890.db2.gz OGJIQWGJYPLVLI-HQRMLTQVSA-N 1 3 356.514 2.748 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417742606 513190854 /nfs/dbraw/zinc/19/08/54/513190854.db2.gz WDLBONSKFLJBOF-INMHGKMJSA-N 1 3 352.548 2.948 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417743919 513192089 /nfs/dbraw/zinc/19/20/89/513192089.db2.gz MFZZTFYMELRKBD-JGGQBBKZSA-N 1 3 372.435 2.735 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446141411 513195383 /nfs/dbraw/zinc/19/53/83/513195383.db2.gz YJALGLGWVIVGBN-IEBWSBKVSA-N 1 3 358.530 2.948 20 0 FFADHO O=C(NCCC[NH2+]C1CC1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415311101 513198638 /nfs/dbraw/zinc/19/86/38/513198638.db2.gz QNMLGLDKKHKGGB-UHFFFAOYSA-N 1 3 360.502 2.815 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000433963201 513199779 /nfs/dbraw/zinc/19/97/79/513199779.db2.gz WAOXZPSKWMFDOU-FQEVSTJZSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417828305 513225202 /nfs/dbraw/zinc/22/52/02/513225202.db2.gz FEHBZOVEZLLOMF-BWPNAZKDSA-N 1 3 358.530 2.808 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417828308 513225224 /nfs/dbraw/zinc/22/52/24/513225224.db2.gz FEHBZOVEZLLOMF-PIKOESSRSA-N 1 3 358.530 2.808 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000417836354 513229418 /nfs/dbraw/zinc/22/94/18/513229418.db2.gz LPWBRQPJOPGGQF-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000429156198 513293859 /nfs/dbraw/zinc/29/38/59/513293859.db2.gz DYXOCQQJBOPRBU-QGPMSJSTSA-N 1 3 369.431 2.637 20 0 FFADHO CN1CC[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)[C@H]1c1ccccc1 ZINC000417953777 513304271 /nfs/dbraw/zinc/30/42/71/513304271.db2.gz ZJUZHODPYHUADW-VQTJNVASSA-N 1 3 358.530 2.982 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418021794 513337693 /nfs/dbraw/zinc/33/76/93/513337693.db2.gz AGANBDHEJVYAHR-UNMCSNQZSA-N 1 3 372.557 2.928 20 0 FFADHO [NH3+]Cc1ccc(NC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)cc1 ZINC000415599467 513342493 /nfs/dbraw/zinc/34/24/93/513342493.db2.gz FWLSQQRSFSAVDX-UHFFFAOYSA-N 1 3 366.465 2.708 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418132589 513385056 /nfs/dbraw/zinc/38/50/56/513385056.db2.gz DUXXGNAXBUTLGO-QUCCMNQESA-N 1 3 358.530 2.538 20 0 FFADHO Cc1[nH+]c2ccccc2c(N2CCN([C@H]3CCNC(=O)CC3)CC2)c1C ZINC000450892557 513387407 /nfs/dbraw/zinc/38/74/07/513387407.db2.gz OWTPTNMHIRFJFL-QGZVFWFLSA-N 1 3 352.482 2.642 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418145678 513390475 /nfs/dbraw/zinc/39/04/75/513390475.db2.gz ORINWIMPLJKSTL-NSISKUIASA-N 1 3 358.530 2.666 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccco1 ZINC000418157895 513395929 /nfs/dbraw/zinc/39/59/29/513395929.db2.gz ANTZAMWOVFBLMB-DLBZAZTESA-N 1 3 362.518 2.884 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000418158566 513397053 /nfs/dbraw/zinc/39/70/53/513397053.db2.gz CFWMLEOCSQBUJY-SFHVURJKSA-N 1 3 350.551 2.674 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)C1CC1 ZINC000418160816 513398121 /nfs/dbraw/zinc/39/81/21/513398121.db2.gz ZIYLSVGVPUUKMP-FQEVSTJZSA-N 1 3 356.514 2.506 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418165599 513400738 /nfs/dbraw/zinc/40/07/38/513400738.db2.gz YKMGBBLDGYQCBM-UXHICEINSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccco1 ZINC000418172547 513405451 /nfs/dbraw/zinc/40/54/51/513405451.db2.gz WWPTUHBNQACRAB-USXIJHARSA-N 1 3 350.507 2.916 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000418187885 513412150 /nfs/dbraw/zinc/41/21/50/513412150.db2.gz SXWMOBQRDVGIIX-DLBZAZTESA-N 1 3 352.910 2.774 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000418238324 513436263 /nfs/dbraw/zinc/43/62/63/513436263.db2.gz FLQJNAXZWMRRFT-MOPGFXCFSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@@H](NC(=O)NCC1(N(C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000418239364 513436921 /nfs/dbraw/zinc/43/69/21/513436921.db2.gz HDLXYNJUQSBSBX-MJGOQNOKSA-N 1 3 358.530 2.728 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000418238096 513437063 /nfs/dbraw/zinc/43/70/63/513437063.db2.gz WVZZFCAMIHCXRE-CRAIPNDOSA-N 1 3 364.559 2.652 20 0 FFADHO [NH3+]CCNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418291471 513453944 /nfs/dbraw/zinc/45/39/44/513453944.db2.gz BOGXLBUFTDIGTM-UHFFFAOYSA-N 1 3 359.301 2.560 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418341678 513472800 /nfs/dbraw/zinc/47/28/00/513472800.db2.gz HSOBXVAAZNKRRI-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418347604 513476835 /nfs/dbraw/zinc/47/68/35/513476835.db2.gz QONMHWFAULOZPI-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CC1CCC(N2CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)CC1 ZINC000415940383 513490091 /nfs/dbraw/zinc/49/00/91/513490091.db2.gz TZFNPMKPPRKXCO-UHFFFAOYSA-N 1 3 360.502 2.752 20 0 FFADHO CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000418399820 513496296 /nfs/dbraw/zinc/49/62/96/513496296.db2.gz FCOYPOTUZHYFDQ-AZUAARDMSA-N 1 3 358.530 2.810 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)[C@H]2C1 ZINC000415956990 513498647 /nfs/dbraw/zinc/49/86/47/513498647.db2.gz SLRWQPFOVBMTRA-WFASDCNBSA-N 1 3 356.392 2.722 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418448107 513515190 /nfs/dbraw/zinc/51/51/90/513515190.db2.gz RBGQAHMINUUKQH-FQEVSTJZSA-N 1 3 360.546 2.710 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000418465996 513522599 /nfs/dbraw/zinc/52/25/99/513522599.db2.gz NMWWABWQKOZHDN-RTBURBONSA-N 1 3 361.534 2.595 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503648 513537027 /nfs/dbraw/zinc/53/70/27/513537027.db2.gz YTBGKEVVIYYORK-UXHICEINSA-N 1 3 354.498 2.964 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503648 513537030 /nfs/dbraw/zinc/53/70/30/513537030.db2.gz YTBGKEVVIYYORK-UXHICEINSA-N 1 3 354.498 2.964 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418523715 513542399 /nfs/dbraw/zinc/54/23/99/513542399.db2.gz VOOAWFQMAOEPMQ-INIZCTEOSA-N 1 3 352.910 2.632 20 0 FFADHO O=C(NCC1=CC[NH2+]CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418535938 513547172 /nfs/dbraw/zinc/54/71/72/513547172.db2.gz FMRYXILODXIPOR-QFIPXVFZSA-N 1 3 368.525 2.604 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418550093 513553293 /nfs/dbraw/zinc/55/32/93/513553293.db2.gz SXEAKQLCOAAOOG-NQIIRXRSSA-N 1 3 358.530 2.682 20 0 FFADHO COc1cc2nccc(NCCC[N@@H+]3CCCO[C@H](C)C3)c2cc1OC ZINC000413261008 513554357 /nfs/dbraw/zinc/55/43/57/513554357.db2.gz IBLRZNYVTDNRMX-OAHLLOKOSA-N 1 3 359.470 2.587 20 0 FFADHO COc1cc2nccc(NCCC[N@H+]3CCCO[C@H](C)C3)c2cc1OC ZINC000413261008 513554360 /nfs/dbraw/zinc/55/43/60/513554360.db2.gz IBLRZNYVTDNRMX-OAHLLOKOSA-N 1 3 359.470 2.587 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000430108974 513555823 /nfs/dbraw/zinc/55/58/23/513555823.db2.gz WDOCNHBULULSBN-IEBWSBKVSA-N 1 3 361.530 2.560 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000441378604 513556167 /nfs/dbraw/zinc/55/61/67/513556167.db2.gz DSJAIWQPVFWRLM-DWRORGKVSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCOc1cccc(I)c1 ZINC000435375624 513569126 /nfs/dbraw/zinc/56/91/26/513569126.db2.gz VVKGJIATRSLXOI-CHWSQXEVSA-N 1 3 374.266 2.729 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425472291 513583914 /nfs/dbraw/zinc/58/39/14/513583914.db2.gz INCHOKPOKXRGID-PCCBWWKXSA-N 1 3 370.541 2.634 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425472291 513583923 /nfs/dbraw/zinc/58/39/23/513583923.db2.gz INCHOKPOKXRGID-PCCBWWKXSA-N 1 3 370.541 2.634 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000418643031 513588446 /nfs/dbraw/zinc/58/84/46/513588446.db2.gz AXLDOCUUHBWSFZ-WOJBJXKFSA-N 1 3 372.488 2.990 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418691930 513616116 /nfs/dbraw/zinc/61/61/16/513616116.db2.gz RLKAVXUAQHMMJY-WIYYLYMNSA-N 1 3 358.530 2.812 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244028 513655307 /nfs/dbraw/zinc/65/53/07/513655307.db2.gz IYRQMEGMOVETPS-UHFFFAOYSA-N 1 3 373.545 2.812 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000425639079 513673646 /nfs/dbraw/zinc/67/36/46/513673646.db2.gz MJRBVWRFJVZOQF-VQTJNVASSA-N 1 3 356.514 2.518 20 0 FFADHO C[NH+](C)C1(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000416297685 513697015 /nfs/dbraw/zinc/69/70/15/513697015.db2.gz AXGGSZDUNPFCFH-SFHVURJKSA-N 1 3 369.431 2.651 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425694130 513705995 /nfs/dbraw/zinc/70/59/95/513705995.db2.gz VYXXBFDWAJXBII-ZIBCJSCZSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425694130 513706002 /nfs/dbraw/zinc/70/60/02/513706002.db2.gz VYXXBFDWAJXBII-ZIBCJSCZSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000448207821 513707866 /nfs/dbraw/zinc/70/78/66/513707866.db2.gz BGVDTMRQKONXLF-GUDVDZBRSA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000448207821 513707874 /nfs/dbraw/zinc/70/78/74/513707874.db2.gz BGVDTMRQKONXLF-GUDVDZBRSA-N 1 3 352.567 2.917 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)C[C@@H](N)c3ccccc3)CCCC2)CC1 ZINC000448244609 513716526 /nfs/dbraw/zinc/71/65/26/513716526.db2.gz VSLJMRFMRXZAQP-LJQANCHMSA-N 1 3 359.514 2.616 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000448256831 513720588 /nfs/dbraw/zinc/72/05/88/513720588.db2.gz ORAPGHQWYMBHRP-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000430706852 513729186 /nfs/dbraw/zinc/72/91/86/513729186.db2.gz OLLHONWRHSFOQC-SFHVURJKSA-N 1 3 373.541 2.803 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000442621374 513746158 /nfs/dbraw/zinc/74/61/58/513746158.db2.gz KIIAKRLKMZLEBQ-UHFFFAOYSA-N 1 3 350.551 2.770 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000448468817 513762058 /nfs/dbraw/zinc/76/20/58/513762058.db2.gz WGQQHADIRMDXCZ-LEWJYISDSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000448468817 513762066 /nfs/dbraw/zinc/76/20/66/513762066.db2.gz WGQQHADIRMDXCZ-LEWJYISDSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000430931715 513784767 /nfs/dbraw/zinc/78/47/67/513784767.db2.gz CGPZOHLXFICKOO-CHWSQXEVSA-N 1 3 355.885 2.885 20 0 FFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000442890297 513806500 /nfs/dbraw/zinc/80/65/00/513806500.db2.gz OGVIYVKHBRYZGZ-HNNXBMFYSA-N 1 3 358.530 2.593 20 0 FFADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(CCCc3ccsc3)C2)CC1 ZINC000451526109 513808473 /nfs/dbraw/zinc/80/84/73/513808473.db2.gz HJJLTGJNFXCDIJ-FQEVSTJZSA-N 1 3 363.571 2.947 20 0 FFADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(CCCc3ccsc3)C2)CC1 ZINC000451526109 513808483 /nfs/dbraw/zinc/80/84/83/513808483.db2.gz HJJLTGJNFXCDIJ-FQEVSTJZSA-N 1 3 363.571 2.947 20 0 FFADHO CO[C@@H]1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000451574740 513843383 /nfs/dbraw/zinc/84/33/83/513843383.db2.gz RXZXHIDMUMBNAY-LVCYWYKZSA-N 1 3 373.541 2.513 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CN(Cc2ccccc2)C1 ZINC000443069696 513863309 /nfs/dbraw/zinc/86/33/09/513863309.db2.gz NIOBCWFTUVOMSP-FPOVZHCZSA-N 1 3 358.574 2.513 20 0 FFADHO c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(CN2CCOCC2)c1 ZINC000422687248 513902509 /nfs/dbraw/zinc/90/25/09/513902509.db2.gz BELQREFJMZVGSR-BHDDXSALSA-N 1 3 357.542 2.919 20 0 FFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422700316 513907193 /nfs/dbraw/zinc/90/71/93/513907193.db2.gz GKSBRRSILKAQDI-NJDAHSKKSA-N 1 3 357.542 2.570 20 0 FFADHO Fc1ccc(Br)cc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422705369 513907626 /nfs/dbraw/zinc/90/76/26/513907626.db2.gz RKRWXNCJUUYEFV-USXIJHARSA-N 1 3 371.294 2.877 20 0 FFADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422704700 513907719 /nfs/dbraw/zinc/90/77/19/513907719.db2.gz AMJFMJYHIGFCSW-VXKWHMMOSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443232912 513908425 /nfs/dbraw/zinc/90/84/25/513908425.db2.gz XZRCSRGEQOONAI-PKOBYXMFSA-N 1 3 360.546 2.927 20 0 FFADHO Brc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422717882 513912964 /nfs/dbraw/zinc/91/29/64/513912964.db2.gz PEHFZPIDSAUODB-MGPQQGTHSA-N 1 3 359.333 2.800 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422758606 513923604 /nfs/dbraw/zinc/92/36/04/513923604.db2.gz KMLINUAZLZHBOL-DVWBAYGPSA-N 1 3 361.530 2.564 20 0 FFADHO O=C1CCCCCN1CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422759444 513924241 /nfs/dbraw/zinc/92/42/41/513924241.db2.gz PARPQXUDQIPUFT-RXVVDRJESA-N 1 3 357.498 2.625 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422769638 513926872 /nfs/dbraw/zinc/92/68/72/513926872.db2.gz VVEYFSJMCYTHSD-SGIREYDYSA-N 1 3 359.283 2.863 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCCc1ccc(Br)cc1F ZINC000422769638 513926882 /nfs/dbraw/zinc/92/68/82/513926882.db2.gz VVEYFSJMCYTHSD-SGIREYDYSA-N 1 3 359.283 2.863 20 0 FFADHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422781632 513930800 /nfs/dbraw/zinc/93/08/00/513930800.db2.gz LVFFSLUYUOVEIG-GXRSIYKFSA-N 1 3 357.542 2.788 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000422787498 513932054 /nfs/dbraw/zinc/93/20/54/513932054.db2.gz MIWMNJAQBVFUJA-UWJYYQICSA-N 1 3 354.498 2.573 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422799466 513935650 /nfs/dbraw/zinc/93/56/50/513935650.db2.gz WVQPNDPDYHEIJO-UNEWFSDZSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422799466 513935658 /nfs/dbraw/zinc/93/56/58/513935658.db2.gz WVQPNDPDYHEIJO-UNEWFSDZSA-N 1 3 360.420 2.714 20 0 FFADHO CC(=O)Nc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422810198 513939025 /nfs/dbraw/zinc/93/90/25/513939025.db2.gz TVGICXNMAILIHW-CTNGQTDRSA-N 1 3 351.450 2.991 20 0 FFADHO FC(F)(F)CN1CCC(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422856390 513953153 /nfs/dbraw/zinc/95/31/53/513953153.db2.gz FEYNWTSWJDYLLZ-SJLPKXTDSA-N 1 3 369.431 2.859 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422888220 513964640 /nfs/dbraw/zinc/96/46/40/513964640.db2.gz CDLCGNXEQMLKJN-DNVJHFABSA-N 1 3 370.585 2.834 20 0 FFADHO Cc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000422885988 513964713 /nfs/dbraw/zinc/96/47/13/513964713.db2.gz ZVMGXSLCFOJQOY-SESVDKBCSA-N 1 3 358.526 2.790 20 0 FFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422894948 513967779 /nfs/dbraw/zinc/96/77/79/513967779.db2.gz DQOJMKILNUFZBF-KEYYUXOJSA-N 1 3 352.320 2.992 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416799836 513972008 /nfs/dbraw/zinc/97/20/08/513972008.db2.gz DUMJVXFLSGAKSM-SLFFLAALSA-N 1 3 358.530 2.853 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2c(F)cccc2OC(F)F)CC[NH2+]CC1 ZINC000422916453 513975770 /nfs/dbraw/zinc/97/57/70/513975770.db2.gz APZASOZNXZHLLE-LBPRGKRZSA-N 1 3 374.403 2.838 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422926261 513978546 /nfs/dbraw/zinc/97/85/46/513978546.db2.gz CLFXLZVYMBPBCI-MOPGFXCFSA-N 1 3 350.938 2.712 20 0 FFADHO O[C@@H]1C[C@H](C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)N(Cc2ccccc2)C1 ZINC000422965078 513994492 /nfs/dbraw/zinc/99/44/92/513994492.db2.gz NMVTZFZFGADQDP-WBADGQHESA-N 1 3 365.521 2.705 20 0 FFADHO O[C@@H]1C[C@H](CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)N(Cc2ccccc2)C1 ZINC000422965078 513994493 /nfs/dbraw/zinc/99/44/93/513994493.db2.gz NMVTZFZFGADQDP-WBADGQHESA-N 1 3 365.521 2.705 20 0 FFADHO c1ccc(N2CC[C@H](N[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)nc1 ZINC000422964834 513994541 /nfs/dbraw/zinc/99/45/41/513994541.db2.gz JWDRWZHFEUWQNR-DJPFJPOOSA-N 1 3 350.466 2.506 20 0 FFADHO CC[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000414171269 513996293 /nfs/dbraw/zinc/99/62/93/513996293.db2.gz CZQDFNNDHOQTJJ-PKOBYXMFSA-N 1 3 361.530 2.926 20 0 FFADHO CC[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000414171269 513996298 /nfs/dbraw/zinc/99/62/98/513996298.db2.gz CZQDFNNDHOQTJJ-PKOBYXMFSA-N 1 3 361.530 2.926 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCC(F)(F)CC1 ZINC000414180993 513999668 /nfs/dbraw/zinc/99/96/68/513999668.db2.gz BOBDCAOOZNWJQQ-MRXNPFEDSA-N 1 3 359.505 2.587 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414185828 514001927 /nfs/dbraw/zinc/00/19/27/514001927.db2.gz HHENZEOOSGMBEE-NHCUHLMSSA-N 1 3 357.542 2.709 20 0 FFADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414192660 514004274 /nfs/dbraw/zinc/00/42/74/514004274.db2.gz MCRGGEUBDAFOHZ-GOSISDBHSA-N 1 3 363.521 2.533 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N2CCCC2)c1 ZINC000416856013 514006327 /nfs/dbraw/zinc/00/63/27/514006327.db2.gz QOQLASOIECYFHA-FPOVZHCZSA-N 1 3 374.529 2.521 20 0 FFADHO CN(CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416872987 514015641 /nfs/dbraw/zinc/01/56/41/514015641.db2.gz MTHJJDXLDFAHBZ-VQTJNVASSA-N 1 3 358.530 2.540 20 0 FFADHO CCc1cc(N2CCN(C(=O)CN(CC)CC)CC2)c2ccccc2[nH+]1 ZINC000443672719 514019865 /nfs/dbraw/zinc/01/98/65/514019865.db2.gz HCGHUKYFNBCITN-UHFFFAOYSA-N 1 3 354.498 2.788 20 0 FFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423073777 514029413 /nfs/dbraw/zinc/02/94/13/514029413.db2.gz JSGXTJCRJDWMKS-IHETXDGRSA-N 1 3 356.432 2.765 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423076688 514030260 /nfs/dbraw/zinc/03/02/60/514030260.db2.gz RRSHSOLWPIHDKG-KMFMINBZSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423076688 514030266 /nfs/dbraw/zinc/03/02/66/514030266.db2.gz RRSHSOLWPIHDKG-KMFMINBZSA-N 1 3 355.320 2.578 20 0 FFADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000423080911 514032337 /nfs/dbraw/zinc/03/23/37/514032337.db2.gz TZYBGUQLJGDAKN-HRCADAONSA-N 1 3 373.419 2.616 20 0 FFADHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1(C(=O)OC)CCC1 ZINC000414300348 514038994 /nfs/dbraw/zinc/03/89/94/514038994.db2.gz ISEYGORLZFCHKE-LJQANCHMSA-N 1 3 374.525 2.725 20 0 FFADHO OC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCN(Cc2ccccc2)CC1 ZINC000414300481 514039833 /nfs/dbraw/zinc/03/98/33/514039833.db2.gz JAAVJNCYURSKEL-XUVXKRRUSA-N 1 3 356.510 2.561 20 0 FFADHO C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(O)c1 ZINC000414324104 514049290 /nfs/dbraw/zinc/04/92/90/514049290.db2.gz JYOHMLZJFWRMSB-INIZCTEOSA-N 1 3 367.493 2.940 20 0 FFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414346385 514058552 /nfs/dbraw/zinc/05/85/52/514058552.db2.gz UVUIBSFKLSELIL-MRXNPFEDSA-N 1 3 355.482 2.698 20 0 FFADHO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1OC ZINC000423141322 514058776 /nfs/dbraw/zinc/05/87/76/514058776.db2.gz PIZCFCPHQYCIJV-LQWHRVPQSA-N 1 3 356.466 2.732 20 0 FFADHO CC[C@H](NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423157533 514062884 /nfs/dbraw/zinc/06/28/84/514062884.db2.gz VNTOXEHCFYGNCQ-SFTDATJTSA-N 1 3 358.530 2.730 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000423156138 514063290 /nfs/dbraw/zinc/06/32/90/514063290.db2.gz MDVXFEDIMDKIJB-LXZKKBNFSA-N 1 3 355.320 2.626 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423156138 514063294 /nfs/dbraw/zinc/06/32/94/514063294.db2.gz MDVXFEDIMDKIJB-LXZKKBNFSA-N 1 3 355.320 2.626 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000416964770 514071680 /nfs/dbraw/zinc/07/16/80/514071680.db2.gz CVSHBNRDLKZBNH-FGTMMUONSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000416964770 514071685 /nfs/dbraw/zinc/07/16/85/514071685.db2.gz CVSHBNRDLKZBNH-FGTMMUONSA-N 1 3 358.530 2.810 20 0 FFADHO COc1ccc([C@@H](NCCCNCc2cccnc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423187337 514073922 /nfs/dbraw/zinc/07/39/22/514073922.db2.gz MNFYLRKQXCWGMB-LEWJYISDSA-N 1 3 354.498 2.653 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000449120299 514080532 /nfs/dbraw/zinc/08/05/32/514080532.db2.gz CJSUMVFJKUXQOL-XMSQKQJNSA-N 1 3 357.542 2.535 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000416974767 514081260 /nfs/dbraw/zinc/08/12/60/514081260.db2.gz LUHLPZQYBDBRKQ-KRWDZBQOSA-N 1 3 358.530 2.728 20 0 FFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420312833 514085862 /nfs/dbraw/zinc/08/58/62/514085862.db2.gz OYYHRVNFPGULAF-YUMYIRISSA-N 1 3 357.542 2.522 20 0 FFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420312833 514085870 /nfs/dbraw/zinc/08/58/70/514085870.db2.gz OYYHRVNFPGULAF-YUMYIRISSA-N 1 3 357.542 2.522 20 0 FFADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000420344037 514103105 /nfs/dbraw/zinc/10/31/05/514103105.db2.gz RUMHWTHSXSCIEF-SJBKTWHCSA-N 1 3 355.526 2.884 20 0 FFADHO CC[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417003941 514110129 /nfs/dbraw/zinc/11/01/29/514110129.db2.gz CCERVKQBUQTMOG-XLIONFOSSA-N 1 3 358.530 2.512 20 0 FFADHO Cc1c([C@H](C)NCCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423333710 514111094 /nfs/dbraw/zinc/11/10/94/514111094.db2.gz ODOLYNOFEKAQIT-NSHDSACASA-N 1 3 352.280 2.728 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000420366836 514111501 /nfs/dbraw/zinc/11/15/01/514111501.db2.gz UPKWYUBOBVVTNU-SJORKVTESA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000420366836 514111508 /nfs/dbraw/zinc/11/15/08/514111508.db2.gz UPKWYUBOBVVTNU-SJORKVTESA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000420366836 514111518 /nfs/dbraw/zinc/11/15/18/514111518.db2.gz UPKWYUBOBVVTNU-SJORKVTESA-N 1 3 355.486 2.544 20 0 FFADHO FC(F)(F)[C@H](CN[C@H](C[C@H]1CCOC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000423381779 514123131 /nfs/dbraw/zinc/12/31/31/514123131.db2.gz IJALCZUKGJGICD-NXHRZFHOSA-N 1 3 371.447 2.580 20 0 FFADHO FC(F)(F)[C@@H](CN[C@H]1CCCc2c3ccccc3[nH]c21)N1CC[NH2+]CC1 ZINC000423397608 514127508 /nfs/dbraw/zinc/12/75/08/514127508.db2.gz SRGSPQHGCFDXNK-DLBZAZTESA-N 1 3 366.431 2.971 20 0 FFADHO CCCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000417027065 514128217 /nfs/dbraw/zinc/12/82/17/514128217.db2.gz ZNZLLJVWPJUFCD-PMACEKPBSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000423400224 514129143 /nfs/dbraw/zinc/12/91/43/514129143.db2.gz WVVGDWCVXHNACY-FZMZJTMJSA-N 1 3 367.362 2.775 20 0 FFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449251112 514130766 /nfs/dbraw/zinc/13/07/66/514130766.db2.gz QUKSQTXPMFGGBO-SFTDATJTSA-N 1 3 372.601 2.698 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000444129669 514131647 /nfs/dbraw/zinc/13/16/47/514131647.db2.gz RZWQKGISAVZNQC-FGTMMUONSA-N 1 3 353.551 2.597 20 0 FFADHO COC[C@@]1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCCN1 ZINC000423421164 514135513 /nfs/dbraw/zinc/13/55/13/514135513.db2.gz JWGHWBRDHUUAIA-SJORKVTESA-N 1 3 353.304 2.665 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420415779 514140721 /nfs/dbraw/zinc/14/07/21/514140721.db2.gz VGDHMNRMPUFNEV-QAPCUYQASA-N 1 3 369.513 2.734 20 0 FFADHO Cc1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)ccc1Cl ZINC000414478746 514144064 /nfs/dbraw/zinc/14/40/64/514144064.db2.gz GDQHOAAEUOFEND-UHFFFAOYSA-N 1 3 351.922 2.535 20 0 FFADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2N[C@H](CCC[NH3+])c1ccccc1 ZINC000423512773 514158150 /nfs/dbraw/zinc/15/81/50/514158150.db2.gz PDSWMUYLTRFQMS-UXHICEINSA-N 1 3 373.522 2.781 20 0 FFADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423520244 514159124 /nfs/dbraw/zinc/15/91/24/514159124.db2.gz DYVAJQISUZOUFK-KRDMYZMISA-N 1 3 369.553 2.867 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417086538 514161439 /nfs/dbraw/zinc/16/14/39/514161439.db2.gz FSSLUKDPXYUEEY-MJGOQNOKSA-N 1 3 358.530 2.640 20 0 FFADHO CC(C)(CNC(=O)NCC1(C)CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417089702 514162362 /nfs/dbraw/zinc/16/23/62/514162362.db2.gz REOMLZHANCFUIV-UHFFFAOYSA-N 1 3 358.530 2.512 20 0 FFADHO COC(=O)[C@@]1(C)CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000414560885 514180748 /nfs/dbraw/zinc/18/07/48/514180748.db2.gz RRGXWCKAZWGDGD-QFIPXVFZSA-N 1 3 373.541 2.992 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423735078 514214148 /nfs/dbraw/zinc/21/41/48/514214148.db2.gz RLMYYJZECXNMFR-UHFFFAOYSA-N 1 3 351.494 2.579 20 0 FFADHO NC[C@@H](NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000449505958 514231979 /nfs/dbraw/zinc/23/19/79/514231979.db2.gz ZTVMLZUNDZIVTQ-GGAORHGYSA-N 1 3 359.473 2.887 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000423877982 514273946 /nfs/dbraw/zinc/27/39/46/514273946.db2.gz DLHFAWZBLOOOGZ-FXAWDEMLSA-N 1 3 359.514 2.728 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291547 514277482 /nfs/dbraw/zinc/27/74/82/514277482.db2.gz ASQJTBUUQBEJKK-HNNXBMFYSA-N 1 3 360.424 2.736 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)c(-c2cnn(C)c2)c1 ZINC000414784834 514291397 /nfs/dbraw/zinc/29/13/97/514291397.db2.gz ROVDGIMVRZUJCG-IBGZPJMESA-N 1 3 354.498 2.583 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)c(-c2cnn(C)c2)c1 ZINC000414784834 514291404 /nfs/dbraw/zinc/29/14/04/514291404.db2.gz ROVDGIMVRZUJCG-IBGZPJMESA-N 1 3 354.498 2.583 20 0 FFADHO Cc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c(-c2cnn(C)c2)c1 ZINC000414784834 514291412 /nfs/dbraw/zinc/29/14/12/514291412.db2.gz ROVDGIMVRZUJCG-IBGZPJMESA-N 1 3 354.498 2.583 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417355269 514307453 /nfs/dbraw/zinc/30/74/53/514307453.db2.gz APYVKLWCYGQFJP-SJORKVTESA-N 1 3 364.559 2.792 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000417358479 514310387 /nfs/dbraw/zinc/31/03/87/514310387.db2.gz TYVOHXSPAVUOGC-PMACEKPBSA-N 1 3 356.514 2.668 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414850590 514322386 /nfs/dbraw/zinc/32/23/86/514322386.db2.gz ZGRGFMDJCLMDOT-INIZCTEOSA-N 1 3 356.470 2.528 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000420827206 514323238 /nfs/dbraw/zinc/32/32/38/514323238.db2.gz BTXMMPKYZWCXGL-WOJBJXKFSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000420827206 514323246 /nfs/dbraw/zinc/32/32/46/514323246.db2.gz BTXMMPKYZWCXGL-WOJBJXKFSA-N 1 3 358.530 2.633 20 0 FFADHO c1csc(-c2nn(-c3ccccc3)cc2CNCCN2CC[NH2+]CC2)c1 ZINC000414864825 514330266 /nfs/dbraw/zinc/33/02/66/514330266.db2.gz KFELEBARIBCPDI-UHFFFAOYSA-N 1 3 367.522 2.596 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000414891212 514343991 /nfs/dbraw/zinc/34/39/91/514343991.db2.gz VQUDUGZVZACPFH-HXUWFJFHSA-N 1 3 368.481 2.636 20 0 FFADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414902236 514348939 /nfs/dbraw/zinc/34/89/39/514348939.db2.gz GZEPMFVILGSWCC-KKSFZXQISA-N 1 3 357.498 2.821 20 0 FFADHO C[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000424056271 514360161 /nfs/dbraw/zinc/36/01/61/514360161.db2.gz SGTHPJSOMAADNA-GOSISDBHSA-N 1 3 355.526 2.684 20 0 FFADHO Fc1cccc(Cl)c1CCCNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414964612 514377786 /nfs/dbraw/zinc/37/77/86/514377786.db2.gz DWYSETXAHWLNSJ-HNNXBMFYSA-N 1 3 367.818 2.837 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000420929070 514381196 /nfs/dbraw/zinc/38/11/96/514381196.db2.gz CGMKAFGUNWFUMZ-GMAHTHKFSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000420929070 514381198 /nfs/dbraw/zinc/38/11/98/514381198.db2.gz CGMKAFGUNWFUMZ-GMAHTHKFSA-N 1 3 369.553 2.968 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417534002 514395513 /nfs/dbraw/zinc/39/55/13/514395513.db2.gz NKJZBFYEFXSJRQ-ZSYWTGECSA-N 1 3 350.551 2.813 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cn4c(cccc4C)n3)CC2)CC1 ZINC000420972047 514412019 /nfs/dbraw/zinc/41/20/19/514412019.db2.gz ALOWFOLUBQPECD-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO COCCCOc1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415101334 514444158 /nfs/dbraw/zinc/44/41/58/514444158.db2.gz BCRHGUHMJAMXAU-SFTDATJTSA-N 1 3 362.514 2.820 20 0 FFADHO COc1ccc(CN(C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424283811 514446759 /nfs/dbraw/zinc/44/67/59/514446759.db2.gz CGAJKNQDRGPYFU-QGZVFWFLSA-N 1 3 371.525 2.650 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000465981365 514534176 /nfs/dbraw/zinc/53/41/76/514534176.db2.gz OLAQYZJUUFLMFI-ZHALLVOQSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000465981365 514534186 /nfs/dbraw/zinc/53/41/86/514534186.db2.gz OLAQYZJUUFLMFI-ZHALLVOQSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000455463423 514539023 /nfs/dbraw/zinc/53/90/23/514539023.db2.gz YFRGJDUFFMIUHY-VNVJMFPYSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000455463423 514539029 /nfs/dbraw/zinc/53/90/29/514539029.db2.gz YFRGJDUFFMIUHY-VNVJMFPYSA-N 1 3 356.514 2.574 20 0 FFADHO CN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475105717 514560462 /nfs/dbraw/zinc/56/04/62/514560462.db2.gz FCHDILJNAVGDML-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475105717 514560466 /nfs/dbraw/zinc/56/04/66/514560466.db2.gz FCHDILJNAVGDML-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)[NH+]1CCCC1 ZINC000466228210 514583333 /nfs/dbraw/zinc/58/33/33/514583333.db2.gz UUYPQOUVKPFTNL-SNRMKQJTSA-N 1 3 350.551 2.669 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCN2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC000453331800 514602838 /nfs/dbraw/zinc/60/28/38/514602838.db2.gz HUMHUIPVZHSPBR-XETXSBNLSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCN2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC000453331800 514602850 /nfs/dbraw/zinc/60/28/50/514602850.db2.gz HUMHUIPVZHSPBR-XETXSBNLSA-N 1 3 355.526 2.635 20 0 FFADHO CN(CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000497706938 514605676 /nfs/dbraw/zinc/60/56/76/514605676.db2.gz XOPXXKRLYXEBFT-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000453371849 514611691 /nfs/dbraw/zinc/61/16/91/514611691.db2.gz YJECVEILWUMCSR-YRISNDGFSA-N 1 3 372.513 2.931 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000488861316 514612384 /nfs/dbraw/zinc/61/23/84/514612384.db2.gz NIVJTIWYZITMPV-UHFFFAOYSA-N 1 3 360.546 2.679 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000488861316 514612393 /nfs/dbraw/zinc/61/23/93/514612393.db2.gz NIVJTIWYZITMPV-UHFFFAOYSA-N 1 3 360.546 2.679 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453375141 514614459 /nfs/dbraw/zinc/61/44/59/514614459.db2.gz ZVJYKTRIMWXYLB-HPAIXVDQSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453375141 514614470 /nfs/dbraw/zinc/61/44/70/514614470.db2.gz ZVJYKTRIMWXYLB-HPAIXVDQSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453375141 514614482 /nfs/dbraw/zinc/61/44/82/514614482.db2.gz ZVJYKTRIMWXYLB-HPAIXVDQSA-N 1 3 369.553 2.740 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000466364667 514623906 /nfs/dbraw/zinc/62/39/06/514623906.db2.gz NWRYRODHWZFYST-ZHNGQKSSSA-N 1 3 358.526 2.938 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000466400181 514636044 /nfs/dbraw/zinc/63/60/44/514636044.db2.gz TZCUYBQVJBXQFN-JXFKEZNVSA-N 1 3 356.514 2.564 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000466427123 514642935 /nfs/dbraw/zinc/64/29/35/514642935.db2.gz VLWFVFPSZVWHTF-JXFKEZNVSA-N 1 3 358.530 2.810 20 0 FFADHO CN1CC[C@]2(CCN(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)C2)C1 ZINC000488954447 514649483 /nfs/dbraw/zinc/64/94/83/514649483.db2.gz ZRBYHEJHJDIACT-CTNGQTDRSA-N 1 3 362.562 2.768 20 0 FFADHO CN1CC[C@]2(CCN(C(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)C2)C1 ZINC000488954447 514649494 /nfs/dbraw/zinc/64/94/94/514649494.db2.gz ZRBYHEJHJDIACT-CTNGQTDRSA-N 1 3 362.562 2.768 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000484446348 514655839 /nfs/dbraw/zinc/65/58/39/514655839.db2.gz YQYREBRPHKFTBM-LPHOPBHVSA-N 1 3 364.509 2.850 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1F ZINC000458280814 514683181 /nfs/dbraw/zinc/68/31/81/514683181.db2.gz TZBYMZMQDCEYEZ-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO Cc1cc(NC(=O)c2ccnc(OCCN(C)C)c2)ccc1C[NH+](C)C ZINC000458293185 514692211 /nfs/dbraw/zinc/69/22/11/514692211.db2.gz UTBFPLOMPZPGAU-UHFFFAOYSA-N 1 3 356.470 2.644 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000461719688 514702859 /nfs/dbraw/zinc/70/28/59/514702859.db2.gz CFIVBFIIJZNBBN-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466620568 514709780 /nfs/dbraw/zinc/70/97/80/514709780.db2.gz VHYLNSMVFXTVNK-QFBILLFUSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000479790488 514725354 /nfs/dbraw/zinc/72/53/54/514725354.db2.gz VYZMAAQVKUZXMY-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000479813644 514732212 /nfs/dbraw/zinc/73/22/12/514732212.db2.gz JDFUGRFNJGBDLK-BBWFWOEESA-N 1 3 350.507 2.882 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCN3CCC2CC3)[NH+]2CCCC2)cc1 ZINC000489194730 514746533 /nfs/dbraw/zinc/74/65/33/514746533.db2.gz FJKZIESLYGUYFM-FQEVSTJZSA-N 1 3 356.514 2.622 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000458412912 514777238 /nfs/dbraw/zinc/77/72/38/514777238.db2.gz CACADVTVZQDRBE-KRWDZBQOSA-N 1 3 364.559 2.838 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000458412912 514777244 /nfs/dbraw/zinc/77/72/44/514777244.db2.gz CACADVTVZQDRBE-KRWDZBQOSA-N 1 3 364.559 2.838 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000479979037 514796471 /nfs/dbraw/zinc/79/64/71/514796471.db2.gz LFRAHOCJVLUXTM-KRWDZBQOSA-N 1 3 361.530 2.758 20 0 FFADHO CCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000455878176 514806379 /nfs/dbraw/zinc/80/63/79/514806379.db2.gz NUVAPJNPCFNGJY-UHFFFAOYSA-N 1 3 374.529 2.938 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2)CC1 ZINC000462012577 514830793 /nfs/dbraw/zinc/83/07/93/514830793.db2.gz BUWWENMTFYEOCD-IBGZPJMESA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)cc2)CC1 ZINC000462012577 514830803 /nfs/dbraw/zinc/83/08/03/514830803.db2.gz BUWWENMTFYEOCD-IBGZPJMESA-N 1 3 370.541 2.575 20 0 FFADHO C[C@@H]([NH2+]CCNC(=O)c1cccs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508710669 514871330 /nfs/dbraw/zinc/87/13/30/514871330.db2.gz NGLMJHLDCWBLJO-SJLPKXTDSA-N 1 3 357.523 2.978 20 0 FFADHO C[C@@H](NCCNC(=O)c1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508710669 514871336 /nfs/dbraw/zinc/87/13/36/514871336.db2.gz NGLMJHLDCWBLJO-SJLPKXTDSA-N 1 3 357.523 2.978 20 0 FFADHO C[C@@H](NCCNC(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710669 514871341 /nfs/dbraw/zinc/87/13/41/514871341.db2.gz NGLMJHLDCWBLJO-SJLPKXTDSA-N 1 3 357.523 2.978 20 0 FFADHO CN(C)[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000471408725 514873114 /nfs/dbraw/zinc/87/31/14/514873114.db2.gz GFKSCQLJRCYNTE-NRFANRHFSA-N 1 3 351.494 2.854 20 0 FFADHO CN(C)[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000471408725 514873118 /nfs/dbraw/zinc/87/31/18/514873118.db2.gz GFKSCQLJRCYNTE-NRFANRHFSA-N 1 3 351.494 2.854 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000498410927 514901016 /nfs/dbraw/zinc/90/10/16/514901016.db2.gz COXYRUJJVOGJSQ-LJQANCHMSA-N 1 3 364.509 2.850 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000458560765 514903242 /nfs/dbraw/zinc/90/32/42/514903242.db2.gz QOPBFCZFFIEMPQ-IHPCNDPISA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000458560765 514903255 /nfs/dbraw/zinc/90/32/55/514903255.db2.gz QOPBFCZFFIEMPQ-IHPCNDPISA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458580936 514923312 /nfs/dbraw/zinc/92/33/12/514923312.db2.gz ROWSFNSFQZSELT-QUCCMNQESA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458580936 514923319 /nfs/dbraw/zinc/92/33/19/514923319.db2.gz ROWSFNSFQZSELT-QUCCMNQESA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)[C@]1(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCSC1 ZINC000480396123 514943104 /nfs/dbraw/zinc/94/31/04/514943104.db2.gz OQZQHJGZIUIITD-FQEVSTJZSA-N 1 3 361.555 2.840 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCc1nnnn1-c1ccccc1 ZINC000503180839 514945803 /nfs/dbraw/zinc/94/58/03/514945803.db2.gz CZORRMHFOXNSES-PKOBYXMFSA-N 1 3 356.518 2.695 20 0 FFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000503180839 514945813 /nfs/dbraw/zinc/94/58/13/514945813.db2.gz CZORRMHFOXNSES-PKOBYXMFSA-N 1 3 356.518 2.695 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000508901966 514948238 /nfs/dbraw/zinc/94/82/38/514948238.db2.gz VLZWVIHNLQEVJJ-XSYGEPLQSA-N 1 3 358.530 2.864 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000508901966 514948250 /nfs/dbraw/zinc/94/82/50/514948250.db2.gz VLZWVIHNLQEVJJ-XSYGEPLQSA-N 1 3 358.530 2.864 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498572774 514979689 /nfs/dbraw/zinc/97/96/89/514979689.db2.gz BKXNIWPPFXPMMM-GOSISDBHSA-N 1 3 371.447 2.897 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498572774 514979695 /nfs/dbraw/zinc/97/96/95/514979695.db2.gz BKXNIWPPFXPMMM-GOSISDBHSA-N 1 3 371.447 2.897 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000458654079 514991355 /nfs/dbraw/zinc/99/13/55/514991355.db2.gz CRAOTDGLVCKTPC-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000458654079 514991363 /nfs/dbraw/zinc/99/13/63/514991363.db2.gz CRAOTDGLVCKTPC-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471856299 515034462 /nfs/dbraw/zinc/03/44/62/515034462.db2.gz KWEPPFPJGAUPCW-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471856299 515034470 /nfs/dbraw/zinc/03/44/70/515034470.db2.gz KWEPPFPJGAUPCW-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](C(=O)NC1(C[NH+](C)C)CCC1)N1CCC(Cc2ccccc2)CC1 ZINC000467728496 515097997 /nfs/dbraw/zinc/09/79/97/515097997.db2.gz RYENYCBPUZUFHT-GOSISDBHSA-N 1 3 357.542 2.930 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2ccccc2F)C1 ZINC000472257715 515187286 /nfs/dbraw/zinc/18/72/86/515187286.db2.gz BZSDNONSORUMQO-MRXNPFEDSA-N 1 3 351.466 2.587 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000472294384 515209382 /nfs/dbraw/zinc/20/93/82/515209382.db2.gz CKAZVAPSXKVYIE-RTWAWAEBSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000472294384 515209390 /nfs/dbraw/zinc/20/93/90/515209390.db2.gz CKAZVAPSXKVYIE-RTWAWAEBSA-N 1 3 370.541 2.778 20 0 FFADHO CCC[NH+]1CCC(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509626132 515261563 /nfs/dbraw/zinc/26/15/63/515261563.db2.gz PSWWOLVVHCYUAY-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000472566720 515315805 /nfs/dbraw/zinc/31/58/05/515315805.db2.gz RSBPCEPRCNCRSV-CVEARBPZSA-N 1 3 363.468 2.984 20 0 FFADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000472566720 515315813 /nfs/dbraw/zinc/31/58/13/515315813.db2.gz RSBPCEPRCNCRSV-CVEARBPZSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000486060613 515318162 /nfs/dbraw/zinc/31/81/62/515318162.db2.gz HHUKSRHWACKJPG-PBHICJAKSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000486060613 515318168 /nfs/dbraw/zinc/31/81/68/515318168.db2.gz HHUKSRHWACKJPG-PBHICJAKSA-N 1 3 371.447 2.793 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)NC1CC[NH+](C2CCC2)CC1 ZINC000454247557 515337846 /nfs/dbraw/zinc/33/78/46/515337846.db2.gz KYCHMJKPTDJTKF-UHFFFAOYSA-N 1 3 370.541 2.751 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2)CC1 ZINC000454249503 515338839 /nfs/dbraw/zinc/33/88/39/515338839.db2.gz UCZOHSNFUVAVKN-LEWJYISDSA-N 1 3 370.541 2.764 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1OC ZINC000499498272 515347726 /nfs/dbraw/zinc/34/77/26/515347726.db2.gz KCTBVTPFJNATJP-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1OC ZINC000499498272 515347735 /nfs/dbraw/zinc/34/77/35/515347735.db2.gz KCTBVTPFJNATJP-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO C[C@@H](NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000477183318 515361031 /nfs/dbraw/zinc/36/10/31/515361031.db2.gz UIRXKJZYFQDHMH-DYESRHJHSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000477183318 515361040 /nfs/dbraw/zinc/36/10/40/515361040.db2.gz UIRXKJZYFQDHMH-DYESRHJHSA-N 1 3 370.541 2.847 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000509962929 515383374 /nfs/dbraw/zinc/38/33/74/515383374.db2.gz FZRPGBLJNLJAAM-UHFFFAOYSA-N 1 3 360.502 2.623 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N(C)C ZINC000491170873 515391469 /nfs/dbraw/zinc/39/14/69/515391469.db2.gz IEDPOIUYQDTOKK-LMNJBCLMSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N(C)C ZINC000491170873 515391474 /nfs/dbraw/zinc/39/14/74/515391474.db2.gz IEDPOIUYQDTOKK-LMNJBCLMSA-N 1 3 358.530 2.723 20 0 FFADHO C[C@H]1CCC[C@@](CNC(=O)N2CCCC23CCN(C)CC3)([NH+](C)C)C1 ZINC000510347161 515511669 /nfs/dbraw/zinc/51/16/69/515511669.db2.gz QRQVEVCQIBREBI-FXAWDEMLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000477721856 515567952 /nfs/dbraw/zinc/56/79/52/515567952.db2.gz IGVGFSGAOXGOKX-IRXDYDNUSA-N 1 3 359.514 2.702 20 0 FFADHO C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1=CCN(C)CC1 ZINC000510556608 515585826 /nfs/dbraw/zinc/58/58/26/515585826.db2.gz YQHALRANHKUURH-FGTMMUONSA-N 1 3 350.551 2.694 20 0 FFADHO C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1=CCN(C)CC1 ZINC000510556608 515585835 /nfs/dbraw/zinc/58/58/35/515585835.db2.gz YQHALRANHKUURH-FGTMMUONSA-N 1 3 350.551 2.694 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C2CC2)C2CCCC2)[C@H](C)C1 ZINC000482153809 515589583 /nfs/dbraw/zinc/58/95/83/515589583.db2.gz BZPIKSQUQPWUHY-YLJYHZDGSA-N 1 3 365.562 2.647 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(CC)C2CCCCC2)[C@H](C)C1 ZINC000482156706 515592386 /nfs/dbraw/zinc/59/23/86/515592386.db2.gz LZWUYKYJVVGSSJ-QUCCMNQESA-N 1 3 367.578 2.894 20 0 FFADHO OC[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC000459499014 515597619 /nfs/dbraw/zinc/59/76/19/515597619.db2.gz BVBSRHMDPNASHS-RTWAWAEBSA-N 1 3 355.457 2.945 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(C)cc1C ZINC000505766976 515663671 /nfs/dbraw/zinc/66/36/71/515663671.db2.gz RISHGGNIYJSGEZ-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(C)cc1C ZINC000505766976 515663677 /nfs/dbraw/zinc/66/36/77/515663677.db2.gz RISHGGNIYJSGEZ-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)ccn1 ZINC000464071987 515702519 /nfs/dbraw/zinc/70/25/19/515702519.db2.gz XVXRESHMFZUKSO-PCCBWWKXSA-N 1 3 372.557 2.779 20 0 FFADHO CCN(CCNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000487024736 515724977 /nfs/dbraw/zinc/72/49/77/515724977.db2.gz AFRLRJXKMVTYEH-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(CCNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000487024736 515724984 /nfs/dbraw/zinc/72/49/84/515724984.db2.gz AFRLRJXKMVTYEH-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000482636059 515746293 /nfs/dbraw/zinc/74/62/93/515746293.db2.gz LOFCEZVALHKBQJ-ICSRJNTNSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454813181 515761245 /nfs/dbraw/zinc/76/12/45/515761245.db2.gz WVWZMRGYYUNCER-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454813181 515761259 /nfs/dbraw/zinc/76/12/59/515761259.db2.gz WVWZMRGYYUNCER-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(Br)c1[O-] ZINC000459735009 515778731 /nfs/dbraw/zinc/77/87/31/515778731.db2.gz PHWGIPJYAMTVHY-GFCCVEGCSA-N 1 3 357.292 2.985 20 0 FFADHO COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(Br)c1[O-] ZINC000459735009 515778734 /nfs/dbraw/zinc/77/87/34/515778734.db2.gz PHWGIPJYAMTVHY-GFCCVEGCSA-N 1 3 357.292 2.985 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000469434408 515816461 /nfs/dbraw/zinc/81/64/61/515816461.db2.gz PFMYAVFKCIRKTR-XLIONFOSSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000469434408 515816467 /nfs/dbraw/zinc/81/64/67/515816467.db2.gz PFMYAVFKCIRKTR-XLIONFOSSA-N 1 3 360.546 2.925 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000511291588 515853824 /nfs/dbraw/zinc/85/38/24/515853824.db2.gz VLHPHEMBQDVUBP-YTQUADARSA-N 1 3 350.551 2.837 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454967050 515863666 /nfs/dbraw/zinc/86/36/66/515863666.db2.gz WBODFWIZWSIPBF-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454967050 515863675 /nfs/dbraw/zinc/86/36/75/515863675.db2.gz WBODFWIZWSIPBF-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000469564493 515867936 /nfs/dbraw/zinc/86/79/36/515867936.db2.gz ZIUAPSUCXZTJJJ-FQEVSTJZSA-N 1 3 360.546 2.927 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000457487225 515910267 /nfs/dbraw/zinc/91/02/67/515910267.db2.gz ILUOEMVXQSEEEC-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000457487225 515910270 /nfs/dbraw/zinc/91/02/70/515910270.db2.gz ILUOEMVXQSEEEC-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000501004481 515934723 /nfs/dbraw/zinc/93/47/23/515934723.db2.gz AKPFKZJMLKBIKF-QHAWAJNXSA-N 1 3 350.595 2.740 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000501004481 515934730 /nfs/dbraw/zinc/93/47/30/515934730.db2.gz AKPFKZJMLKBIKF-QHAWAJNXSA-N 1 3 350.595 2.740 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000464878246 516002471 /nfs/dbraw/zinc/00/24/71/516002471.db2.gz SXPRVGPGPPASDH-QZTJIDSGSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000469897929 516020253 /nfs/dbraw/zinc/02/02/53/516020253.db2.gz BOAKEHGUQDTYMF-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000455189563 516024906 /nfs/dbraw/zinc/02/49/06/516024906.db2.gz JLYGTNLJUUUMON-OALUTQOASA-N 1 3 352.567 2.870 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000455189563 516024914 /nfs/dbraw/zinc/02/49/14/516024914.db2.gz JLYGTNLJUUUMON-OALUTQOASA-N 1 3 352.567 2.870 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCCCC1)Cc1ccccc1 ZINC000501254577 516029739 /nfs/dbraw/zinc/02/97/39/516029739.db2.gz AWROLAPADPMUIR-HXUWFJFHSA-N 1 3 360.546 2.725 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487913432 516030766 /nfs/dbraw/zinc/03/07/66/516030766.db2.gz JKXKTTWTKBEGOQ-FKPGQJDZSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487913432 516030779 /nfs/dbraw/zinc/03/07/79/516030779.db2.gz JKXKTTWTKBEGOQ-FKPGQJDZSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479056905 516041414 /nfs/dbraw/zinc/04/14/14/516041414.db2.gz HMYYLVOBYRHZTJ-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000501330746 516065058 /nfs/dbraw/zinc/06/50/58/516065058.db2.gz JHTMJXOQDPNNBI-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000501330746 516065064 /nfs/dbraw/zinc/06/50/64/516065064.db2.gz JHTMJXOQDPNNBI-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000501332095 516065699 /nfs/dbraw/zinc/06/56/99/516065699.db2.gz MJOLVROWRWBZDW-NQIIRXRSSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000501332093 516066385 /nfs/dbraw/zinc/06/63/85/516066385.db2.gz MJOLVROWRWBZDW-GHTZIAJQSA-N 1 3 372.557 2.997 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000470000519 516070201 /nfs/dbraw/zinc/07/02/01/516070201.db2.gz SBCUKTOLNGBFLP-GOSISDBHSA-N 1 3 368.481 2.812 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488018099 516081905 /nfs/dbraw/zinc/08/19/05/516081905.db2.gz PZFQTGBFOPEZOL-RKGSWTEASA-N 1 3 364.578 2.725 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488018099 516081911 /nfs/dbraw/zinc/08/19/11/516081911.db2.gz PZFQTGBFOPEZOL-RKGSWTEASA-N 1 3 364.578 2.725 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)C1 ZINC000457704659 516084074 /nfs/dbraw/zinc/08/40/74/516084074.db2.gz GQOPGASGVZGRKF-QFIPXVFZSA-N 1 3 370.541 2.562 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)C1 ZINC000457704659 516084084 /nfs/dbraw/zinc/08/40/84/516084084.db2.gz GQOPGASGVZGRKF-QFIPXVFZSA-N 1 3 370.541 2.562 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)Cc1ccccc1 ZINC000501393292 516088901 /nfs/dbraw/zinc/08/89/01/516088901.db2.gz YODQPRFUPZNHII-SFTDATJTSA-N 1 3 374.573 2.969 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 ZINC000479183581 516092982 /nfs/dbraw/zinc/09/29/82/516092982.db2.gz GZVSSRFTTXXOEC-WOJBJXKFSA-N 1 3 355.457 2.821 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479206741 516108071 /nfs/dbraw/zinc/10/80/71/516108071.db2.gz ICLHAXWVDFNUOV-WIYYLYMNSA-N 1 3 369.484 2.849 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479206741 516108074 /nfs/dbraw/zinc/10/80/74/516108074.db2.gz ICLHAXWVDFNUOV-WIYYLYMNSA-N 1 3 369.484 2.849 20 0 FFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](CN)c2ccc(F)cc2)c1 ZINC000479208540 516108562 /nfs/dbraw/zinc/10/85/62/516108562.db2.gz APJZPYSFNMECHN-LJQANCHMSA-N 1 3 359.445 2.837 20 0 FFADHO NC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000479228728 516117246 /nfs/dbraw/zinc/11/72/46/516117246.db2.gz WJIJBTCQBXTXHY-RXVVDRJESA-N 1 3 369.484 2.549 20 0 FFADHO NC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000479228728 516117253 /nfs/dbraw/zinc/11/72/53/516117253.db2.gz WJIJBTCQBXTXHY-RXVVDRJESA-N 1 3 369.484 2.549 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000501506684 516130891 /nfs/dbraw/zinc/13/08/91/516130891.db2.gz SXHGWXCGCXGWBC-AZUAARDMSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000501506684 516130900 /nfs/dbraw/zinc/13/09/00/516130900.db2.gz SXHGWXCGCXGWBC-AZUAARDMSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000501533486 516142160 /nfs/dbraw/zinc/14/21/60/516142160.db2.gz QUVXCRLNICXXQW-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000501533486 516142169 /nfs/dbraw/zinc/14/21/69/516142169.db2.gz QUVXCRLNICXXQW-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000501530690 516142826 /nfs/dbraw/zinc/14/28/26/516142826.db2.gz CJSYDMMPBZHRJK-IRXDYDNUSA-N 1 3 362.518 2.869 20 0 FFADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000501530690 516142834 /nfs/dbraw/zinc/14/28/34/516142834.db2.gz CJSYDMMPBZHRJK-IRXDYDNUSA-N 1 3 362.518 2.869 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000474698832 516162857 /nfs/dbraw/zinc/16/28/57/516162857.db2.gz XGUCOYVRVRVLIG-UHFFFAOYSA-N 1 3 351.494 2.813 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(c2ccccc2)CC1 ZINC000465492984 516170218 /nfs/dbraw/zinc/17/02/18/516170218.db2.gz MFBCNGWVWPKVNP-HXUWFJFHSA-N 1 3 372.557 2.776 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(c2ccccc2)CC1 ZINC000465492984 516170224 /nfs/dbraw/zinc/17/02/24/516170224.db2.gz MFBCNGWVWPKVNP-HXUWFJFHSA-N 1 3 372.557 2.776 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457820340 516171286 /nfs/dbraw/zinc/17/12/86/516171286.db2.gz VJUXSDLJBVOVHA-KRWDZBQOSA-N 1 3 354.564 2.798 20 0 FFADHO C[C@H]1CCN(C(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000465633118 516215914 /nfs/dbraw/zinc/21/59/14/516215914.db2.gz PBENMGHTOWKBNQ-IBGZPJMESA-N 1 3 358.530 2.778 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000457946696 516248536 /nfs/dbraw/zinc/24/85/36/516248536.db2.gz VUIVSFKOKBCKCU-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000457946696 516248547 /nfs/dbraw/zinc/24/85/47/516248547.db2.gz VUIVSFKOKBCKCU-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCCN1C ZINC000460879538 516274074 /nfs/dbraw/zinc/27/40/74/516274074.db2.gz IZISZMMBSZZYAQ-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCN1C ZINC000460879538 516274076 /nfs/dbraw/zinc/27/40/76/516274076.db2.gz IZISZMMBSZZYAQ-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(SC)n1 ZINC000496880695 516287866 /nfs/dbraw/zinc/28/78/66/516287866.db2.gz HAHDNKVIKYXWOH-OAHLLOKOSA-N 1 3 365.547 2.683 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(SC)n1 ZINC000496880695 516287872 /nfs/dbraw/zinc/28/78/72/516287872.db2.gz HAHDNKVIKYXWOH-OAHLLOKOSA-N 1 3 365.547 2.683 20 0 FFADHO CSC1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C)CC1 ZINC000460976512 516294985 /nfs/dbraw/zinc/29/49/85/516294985.db2.gz DGBJLOXVPOHYJK-INIZCTEOSA-N 1 3 353.576 2.585 20 0 FFADHO CSC1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN(C)CC1 ZINC000460976512 516294989 /nfs/dbraw/zinc/29/49/89/516294989.db2.gz DGBJLOXVPOHYJK-INIZCTEOSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000502148776 516310644 /nfs/dbraw/zinc/31/06/44/516310644.db2.gz NWHYBVAJUAVSIL-QCFAMHMHSA-N 1 3 370.541 2.775 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522879394 516338990 /nfs/dbraw/zinc/33/89/90/516338990.db2.gz BAUNHZTZBLTKOT-ICSRJNTNSA-N 1 3 360.546 2.920 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000528314543 516341519 /nfs/dbraw/zinc/34/15/19/516341519.db2.gz IHVDSEMAKPBTQW-SFTDATJTSA-N 1 3 373.516 2.994 20 0 FFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000517534429 516353258 /nfs/dbraw/zinc/35/32/58/516353258.db2.gz UBXRTJCXRMGHFF-CTNGQTDRSA-N 1 3 368.481 2.987 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C[C@H]1C ZINC000535438602 516356127 /nfs/dbraw/zinc/35/61/27/516356127.db2.gz SWKCBMLRUBPZOZ-MDNKFWRPSA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C[C@H]1C ZINC000535438602 516356132 /nfs/dbraw/zinc/35/61/32/516356132.db2.gz SWKCBMLRUBPZOZ-MDNKFWRPSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000517543504 516357952 /nfs/dbraw/zinc/35/79/52/516357952.db2.gz GFTDUCXTVQKPII-IEBWSBKVSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000531228905 516359420 /nfs/dbraw/zinc/35/94/20/516359420.db2.gz MRSUUTLXYZLZNW-UHFFFAOYSA-N 1 3 374.504 2.673 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CCCS3)CC2)CC1 ZINC000557653208 516361092 /nfs/dbraw/zinc/36/10/92/516361092.db2.gz MBDHRTKGYWEOAM-IBGZPJMESA-N 1 3 353.576 2.585 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CCN(C)c2ccncc2)CC1 ZINC000543713077 516386178 /nfs/dbraw/zinc/38/61/78/516386178.db2.gz QSTSKLCKLBXDAS-UHFFFAOYSA-N 1 3 366.509 2.997 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(-n2ccnc2)cc1 ZINC000517627018 516387141 /nfs/dbraw/zinc/38/71/41/516387141.db2.gz RCCMSJJEPDDGAT-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(-n2ccnc2)cc1 ZINC000517627018 516387149 /nfs/dbraw/zinc/38/71/49/516387149.db2.gz RCCMSJJEPDDGAT-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000561151811 516409485 /nfs/dbraw/zinc/40/94/85/516409485.db2.gz WZTVPIDUOWPIFO-HOTGVXAUSA-N 1 3 364.559 2.729 20 0 FFADHO O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)CC1(O)CCC1 ZINC000528407641 516413626 /nfs/dbraw/zinc/41/36/26/516413626.db2.gz RQLYIKSEJQPVNY-PCCBWWKXSA-N 1 3 358.526 2.639 20 0 FFADHO O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)CC1(O)CCC1 ZINC000528407641 516413635 /nfs/dbraw/zinc/41/36/35/516413635.db2.gz RQLYIKSEJQPVNY-PCCBWWKXSA-N 1 3 358.526 2.639 20 0 FFADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000543762961 516417130 /nfs/dbraw/zinc/41/71/30/516417130.db2.gz PQDLDXZYNYROKV-VAMGGRTRSA-N 1 3 355.526 2.922 20 0 FFADHO CO[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccc(F)cc1 ZINC000528444382 516442396 /nfs/dbraw/zinc/44/23/96/516442396.db2.gz DADWPVWCOSTYOM-HXUWFJFHSA-N 1 3 363.521 2.863 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000561196269 516444153 /nfs/dbraw/zinc/44/41/53/516444153.db2.gz QMBJBVSOQZBIGE-XLIONFOSSA-N 1 3 372.557 2.840 20 0 FFADHO C[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000557853211 516471031 /nfs/dbraw/zinc/47/10/31/516471031.db2.gz ZCTDHGVNXIXOTM-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO CN(CCCN(C)C(=O)NC1CCC(C[NH+](C)C)CC1)Cc1ccco1 ZINC000557922035 516507202 /nfs/dbraw/zinc/50/72/02/516507202.db2.gz WDDUXDPNAKYVGK-UHFFFAOYSA-N 1 3 364.534 2.863 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000523627637 516525213 /nfs/dbraw/zinc/52/52/13/516525213.db2.gz GOLWEAALKBZLHR-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000523627637 516525222 /nfs/dbraw/zinc/52/52/22/516525222.db2.gz GOLWEAALKBZLHR-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@H+](CCc1cccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1)C1CC1 ZINC000540431477 516552484 /nfs/dbraw/zinc/55/24/84/516552484.db2.gz DFRWFOCPBJPMIW-OAQYLSRUSA-N 1 3 371.525 2.905 20 0 FFADHO C[N@@H+](CCc1cccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1)C1CC1 ZINC000540431477 516552493 /nfs/dbraw/zinc/55/24/93/516552493.db2.gz DFRWFOCPBJPMIW-OAQYLSRUSA-N 1 3 371.525 2.905 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000558057288 516573410 /nfs/dbraw/zinc/57/34/10/516573410.db2.gz NZJAGRDSHYLPEM-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000558057288 516573416 /nfs/dbraw/zinc/57/34/16/516573416.db2.gz NZJAGRDSHYLPEM-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000523876570 516601489 /nfs/dbraw/zinc/60/14/89/516601489.db2.gz LYIITBIDCGQGFO-SJORKVTESA-N 1 3 366.575 2.990 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2c1ccn2C ZINC000524024198 516630243 /nfs/dbraw/zinc/63/02/43/516630243.db2.gz VIXUPRJDXNSCIL-QGZVFWFLSA-N 1 3 356.514 2.666 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2c1ccn2C ZINC000524024198 516630246 /nfs/dbraw/zinc/63/02/46/516630246.db2.gz VIXUPRJDXNSCIL-QGZVFWFLSA-N 1 3 356.514 2.666 20 0 FFADHO c1ccc([C@H]2C[C@H]2C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000540598390 516635690 /nfs/dbraw/zinc/63/56/90/516635690.db2.gz HDAFZCIVBIYJTM-RBBKRZOGSA-N 1 3 350.510 2.987 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528709631 516636153 /nfs/dbraw/zinc/63/61/53/516636153.db2.gz DPZCTVIHKDMBGY-MRXNPFEDSA-N 1 3 358.486 2.508 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)OCCNC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528711583 516637231 /nfs/dbraw/zinc/63/72/31/516637231.db2.gz BYDNSJDEOHCPPN-NVXWUHKLSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)OCCNC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528711583 516637239 /nfs/dbraw/zinc/63/72/39/516637239.db2.gz BYDNSJDEOHCPPN-NVXWUHKLSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000518395868 516643517 /nfs/dbraw/zinc/64/35/17/516643517.db2.gz UTQOPHBXMYPWRZ-RXVVDRJESA-N 1 3 369.553 2.930 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000518395868 516643529 /nfs/dbraw/zinc/64/35/29/516643529.db2.gz UTQOPHBXMYPWRZ-RXVVDRJESA-N 1 3 369.553 2.930 20 0 FFADHO C[C@@H]1C[C@H](CCNCc2cnc(N(C)C)nc2)C[N@@H+]1Cc1ccccc1 ZINC000513487278 516647703 /nfs/dbraw/zinc/64/77/03/516647703.db2.gz AOWUZHGJQZSANY-MJGOQNOKSA-N 1 3 353.514 2.933 20 0 FFADHO C[C@@H]1C[C@H](CCNCc2cnc(N(C)C)nc2)C[N@H+]1Cc1ccccc1 ZINC000513487278 516647708 /nfs/dbraw/zinc/64/77/08/516647708.db2.gz AOWUZHGJQZSANY-MJGOQNOKSA-N 1 3 353.514 2.933 20 0 FFADHO COC[C@@H](NCCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1F ZINC000558226755 516656220 /nfs/dbraw/zinc/65/62/20/516656220.db2.gz RPZSLISKKYPGPI-QGZVFWFLSA-N 1 3 357.901 2.784 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000536162011 516658661 /nfs/dbraw/zinc/65/86/61/516658661.db2.gz XWDMZQVHIKGVIM-HNBVOPMISA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000536162011 516658670 /nfs/dbraw/zinc/65/86/70/516658670.db2.gz XWDMZQVHIKGVIM-HNBVOPMISA-N 1 3 358.530 2.851 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000554915493 516697004 /nfs/dbraw/zinc/69/70/04/516697004.db2.gz UIAKAEVHIACFSH-UHFFFAOYSA-N 1 3 355.530 2.513 20 0 FFADHO CN1CCO[C@H](CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000513684442 516719847 /nfs/dbraw/zinc/71/98/47/516719847.db2.gz RKJBMYSFZOFFIL-LNRXMEIDSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCO[C@H](CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000513684442 516719854 /nfs/dbraw/zinc/71/98/54/516719854.db2.gz RKJBMYSFZOFFIL-LNRXMEIDSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000513684442 516719862 /nfs/dbraw/zinc/71/98/62/516719862.db2.gz RKJBMYSFZOFFIL-LNRXMEIDSA-N 1 3 357.542 2.597 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000555211923 516831496 /nfs/dbraw/zinc/83/14/96/516831496.db2.gz AJYAIYRIZLSKFH-IBGZPJMESA-N 1 3 360.546 2.880 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000544649544 516856185 /nfs/dbraw/zinc/85/61/85/516856185.db2.gz ZFTMBBBXVYCCJH-MRXNPFEDSA-N 1 3 350.551 2.765 20 0 FFADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCCN4CCOCC4)[C@@H]3C2)cc1 ZINC000514100198 516861417 /nfs/dbraw/zinc/86/14/17/516861417.db2.gz UBFAFNFGAZYFBA-YTFSRNRJSA-N 1 3 371.569 2.989 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000514114123 516868954 /nfs/dbraw/zinc/86/89/54/516868954.db2.gz CLEWSSMCKTXROP-OALUTQOASA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000514114123 516868963 /nfs/dbraw/zinc/86/89/63/516868963.db2.gz CLEWSSMCKTXROP-OALUTQOASA-N 1 3 352.567 2.918 20 0 FFADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000541174310 516911502 /nfs/dbraw/zinc/91/15/02/516911502.db2.gz HGKMPEQXPYEWJV-SFHVURJKSA-N 1 3 374.573 2.607 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000525437614 517039570 /nfs/dbraw/zinc/03/95/70/517039570.db2.gz UQWMFBVEDNPXEG-SFTDATJTSA-N 1 3 374.573 2.923 20 0 FFADHO CC(C)[C@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)N1CCCCC1 ZINC000532595094 517053834 /nfs/dbraw/zinc/05/38/34/517053834.db2.gz LPFGRHJMGDPCML-UYAOXDASSA-N 1 3 373.545 2.671 20 0 FFADHO C[C@@H]1C[C@H](N(C)CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC000537165375 517063604 /nfs/dbraw/zinc/06/36/04/517063604.db2.gz AOPWMOCKVBCYCY-NMIHRBCNSA-N 1 3 357.542 2.835 20 0 FFADHO C[C@@H]1C[C@H](N(C)CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC000537165375 517063616 /nfs/dbraw/zinc/06/36/16/517063616.db2.gz AOPWMOCKVBCYCY-NMIHRBCNSA-N 1 3 357.542 2.835 20 0 FFADHO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000552075283 517065296 /nfs/dbraw/zinc/06/52/96/517065296.db2.gz RFJOGWWRORABRW-STQMWFEESA-N 1 3 367.563 2.916 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529311604 517071113 /nfs/dbraw/zinc/07/11/13/517071113.db2.gz WXOMRLCPCHIEHI-APWZRJJASA-N 1 3 356.514 2.796 20 0 FFADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000562489272 517140185 /nfs/dbraw/zinc/14/01/85/517140185.db2.gz IALFTVVBGVVGAM-HNNXBMFYSA-N 1 3 356.432 2.719 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000514962084 517144928 /nfs/dbraw/zinc/14/49/28/517144928.db2.gz AGWWXWDUOSPWJL-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000529454178 517157195 /nfs/dbraw/zinc/15/71/95/517157195.db2.gz WBBTYZFASBFGOM-PLACYPQZSA-N 1 3 355.526 2.697 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000529454178 517157200 /nfs/dbraw/zinc/15/72/00/517157200.db2.gz WBBTYZFASBFGOM-PLACYPQZSA-N 1 3 355.526 2.697 20 0 FFADHO O=C(C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)NCCN1CCCCCC1 ZINC000552278603 517175426 /nfs/dbraw/zinc/17/54/26/517175426.db2.gz HWRFDFOAFLBVHL-QUCCMNQESA-N 1 3 358.530 2.690 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CN1Cc1ccccc1 ZINC000541854647 517251733 /nfs/dbraw/zinc/25/17/33/517251733.db2.gz OSHVRBLSDIYZFD-IEBWSBKVSA-N 1 3 352.482 2.687 20 0 FFADHO CC(C)c1ccccc1OC[C@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000515234536 517266689 /nfs/dbraw/zinc/26/66/89/517266689.db2.gz JFGVOJKISBXXMS-RTBURBONSA-N 1 3 364.530 2.640 20 0 FFADHO CC(C)c1ccccc1OC[C@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000515234536 517266695 /nfs/dbraw/zinc/26/66/95/517266695.db2.gz JFGVOJKISBXXMS-RTBURBONSA-N 1 3 364.530 2.640 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000526162981 517368046 /nfs/dbraw/zinc/36/80/46/517368046.db2.gz ULYLTZRWWLFOBD-UHFFFAOYSA-N 1 3 371.457 2.532 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000559753750 517412593 /nfs/dbraw/zinc/41/25/93/517412593.db2.gz RRDUMYQLYQHRQC-GIWBLDEGSA-N 1 3 372.601 2.903 20 0 FFADHO [NH3+]C1(CNC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCC1 ZINC000562817159 517429295 /nfs/dbraw/zinc/42/92/95/517429295.db2.gz UYILIMIUOOITCP-FQEVSTJZSA-N 1 3 356.514 2.566 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)N(C)C)cc1 ZINC000520581177 517443344 /nfs/dbraw/zinc/44/33/44/517443344.db2.gz JVLZGWBZWDUFHJ-PMACEKPBSA-N 1 3 358.530 2.868 20 0 FFADHO CN(C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000562976761 517548576 /nfs/dbraw/zinc/54/85/76/517548576.db2.gz XZGZNQHRRVVJOH-GMAHTHKFSA-N 1 3 363.505 2.651 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000538426232 517615885 /nfs/dbraw/zinc/61/58/85/517615885.db2.gz FLMPZDMDPWNTND-NQIIRXRSSA-N 1 3 356.558 2.791 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000533809028 517620661 /nfs/dbraw/zinc/62/06/61/517620661.db2.gz VXOBFDZNWQQOMD-OAQYLSRUSA-N 1 3 372.557 2.819 20 0 FFADHO CCN(C(=O)NCC1([NH3+])CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000516263009 517642439 /nfs/dbraw/zinc/64/24/39/517642439.db2.gz MQGVXOSKUIQJOF-LJQANCHMSA-N 1 3 358.530 2.954 20 0 FFADHO c1cc(OC[C@@H]2CCCO2)ccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243477 517649552 /nfs/dbraw/zinc/64/95/52/517649552.db2.gz YKVOLKKZEQDQQB-VXKWHMMOSA-N 1 3 374.525 2.835 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000542633928 517660937 /nfs/dbraw/zinc/66/09/37/517660937.db2.gz PXCSHUNFGJUOPF-INIZCTEOSA-N 1 3 362.518 2.821 20 0 FFADHO CN1CC[NH+](CCCCNCc2c(F)cccc2Br)CC1 ZINC000527514111 517721417 /nfs/dbraw/zinc/72/14/17/517721417.db2.gz HIXDBTYSNFGOMK-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CCc1ccc([C@H](CNC(=O)CCN(C)c2cc[nH+]cc2)N(C)C)cc1 ZINC000542787098 517741544 /nfs/dbraw/zinc/74/15/44/517741544.db2.gz URRPKGCFINKSOC-FQEVSTJZSA-N 1 3 354.498 2.889 20 0 FFADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(C)CC1 ZINC000521510577 517761115 /nfs/dbraw/zinc/76/11/15/517761115.db2.gz BLZHWMXDHPKIBD-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)s2)cn1 ZINC000556964190 517777929 /nfs/dbraw/zinc/77/79/29/517777929.db2.gz KOLWUPGGMVHZQM-SJLPKXTDSA-N 1 3 360.527 2.867 20 0 FFADHO CC1(C)CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCN1 ZINC000556968904 517781929 /nfs/dbraw/zinc/78/19/29/517781929.db2.gz DRKMDPRNHZEAJN-UHFFFAOYSA-N 1 3 360.502 2.767 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1c(F)cccc1F ZINC000521609695 517795292 /nfs/dbraw/zinc/79/52/92/517795292.db2.gz CWEQPJWKBLTEIS-KBRIMQKVSA-N 1 3 351.441 2.595 20 0 FFADHO CCc1cnc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000516660782 517797202 /nfs/dbraw/zinc/79/72/02/517797202.db2.gz GBMPCSPDFYDUCS-UHFFFAOYSA-N 1 3 364.559 2.518 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000521698030 517831657 /nfs/dbraw/zinc/83/16/57/517831657.db2.gz NGMKUQQEZDMIKT-WSTZPKSXSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000521698030 517831665 /nfs/dbraw/zinc/83/16/65/517831665.db2.gz NGMKUQQEZDMIKT-WSTZPKSXSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000521842681 517868219 /nfs/dbraw/zinc/86/82/19/517868219.db2.gz IGHGIHOBMUZSKB-NEWSRXKRSA-N 1 3 358.530 2.584 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000557137907 517876887 /nfs/dbraw/zinc/87/68/87/517876887.db2.gz KILUCHAMIQPDMY-YESZJQIVSA-N 1 3 364.559 2.948 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CSCc1cccc(Cl)c1 ZINC000530641388 517895350 /nfs/dbraw/zinc/89/53/50/517895350.db2.gz CGMXMSVEIPSNDN-UHFFFAOYSA-N 1 3 357.951 2.525 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000560583308 517909846 /nfs/dbraw/zinc/90/98/46/517909846.db2.gz XNQCPBLHSLCVLQ-HOTGVXAUSA-N 1 3 363.502 2.885 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000560583308 517909855 /nfs/dbraw/zinc/90/98/55/517909855.db2.gz XNQCPBLHSLCVLQ-HOTGVXAUSA-N 1 3 363.502 2.885 20 0 FFADHO C[N@H+](CCNC(=O)C1CCN(Cc2ccncc2)CC1)Cc1ccccc1 ZINC000530689907 517923367 /nfs/dbraw/zinc/92/33/67/517923367.db2.gz SRGUORAEAROTNJ-UHFFFAOYSA-N 1 3 366.509 2.542 20 0 FFADHO C[N@@H+](CCNC(=O)C1CCN(Cc2ccncc2)CC1)Cc1ccccc1 ZINC000530689907 517923374 /nfs/dbraw/zinc/92/33/74/517923374.db2.gz SRGUORAEAROTNJ-UHFFFAOYSA-N 1 3 366.509 2.542 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000522079233 517978396 /nfs/dbraw/zinc/97/83/96/517978396.db2.gz QBISNVNHZASFJL-PZJWPPBQSA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000522079233 517978405 /nfs/dbraw/zinc/97/84/05/517978405.db2.gz QBISNVNHZASFJL-PZJWPPBQSA-N 1 3 370.541 2.701 20 0 FFADHO CN(C)C[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000517042921 517994861 /nfs/dbraw/zinc/99/48/61/517994861.db2.gz CDUSDPZEAHOUPW-SFHVURJKSA-N 1 3 360.889 2.980 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522204974 518032213 /nfs/dbraw/zinc/03/22/13/518032213.db2.gz YOQRTEDKUZKQSN-UXHICEINSA-N 1 3 358.530 2.674 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522204974 518032221 /nfs/dbraw/zinc/03/22/21/518032221.db2.gz YOQRTEDKUZKQSN-UXHICEINSA-N 1 3 358.530 2.674 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000522276798 518060350 /nfs/dbraw/zinc/06/03/50/518060350.db2.gz QKVIMACNMFNPBU-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCC1 ZINC000522291075 518066259 /nfs/dbraw/zinc/06/62/59/518066259.db2.gz VTNNIVMUZKVCOF-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CSc1ccc(OC[C@@H](O)CNCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000560870960 518067748 /nfs/dbraw/zinc/06/77/48/518067748.db2.gz XRMKRKHBMVXPFL-SFHVURJKSA-N 1 3 360.523 3.000 20 0 FFADHO Cc1cccc(OC[C@H](O)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000563700318 518079173 /nfs/dbraw/zinc/07/91/73/518079173.db2.gz IHYWMCITHJYHHT-AGHHOFFYSA-N 1 3 368.477 2.580 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)C1 ZINC000554178551 518094275 /nfs/dbraw/zinc/09/42/75/518094275.db2.gz DOHYQJTZQQBSBL-BRWVUGGUSA-N 1 3 350.507 2.740 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)C1 ZINC000554178551 518094280 /nfs/dbraw/zinc/09/42/80/518094280.db2.gz DOHYQJTZQQBSBL-BRWVUGGUSA-N 1 3 350.507 2.740 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000554178550 518094554 /nfs/dbraw/zinc/09/45/54/518094554.db2.gz DOHYQJTZQQBSBL-BBWFWOEESA-N 1 3 350.507 2.740 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)C1 ZINC000554178550 518094566 /nfs/dbraw/zinc/09/45/66/518094566.db2.gz DOHYQJTZQQBSBL-BBWFWOEESA-N 1 3 350.507 2.740 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528148984 518119431 /nfs/dbraw/zinc/11/94/31/518119431.db2.gz JUYJJKMROZMYSY-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528148984 518119438 /nfs/dbraw/zinc/11/94/38/518119438.db2.gz JUYJJKMROZMYSY-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CSc1ccccc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000539686594 518140093 /nfs/dbraw/zinc/14/00/93/518140093.db2.gz BGQXQDLGWXDBEA-UHFFFAOYSA-N 1 3 361.555 2.626 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000517418583 518143576 /nfs/dbraw/zinc/14/35/76/518143576.db2.gz DNOWSXSYTXZHOH-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@@H]1C ZINC000531141261 518152517 /nfs/dbraw/zinc/15/25/17/518152517.db2.gz SWTDDQYSAAUODR-GBESFXJTSA-N 1 3 358.530 2.819 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@@H]1C ZINC000531141261 518152522 /nfs/dbraw/zinc/15/25/22/518152522.db2.gz SWTDDQYSAAUODR-GBESFXJTSA-N 1 3 358.530 2.819 20 0 FFADHO C[NH+](C)CCOC1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000539832663 518169734 /nfs/dbraw/zinc/16/97/34/518169734.db2.gz ZAODYRKZJFNKQF-UHFFFAOYSA-N 1 3 356.470 2.812 20 0 FFADHO C[C@H](Cc1ccc(F)c(Br)c1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000584287010 518264369 /nfs/dbraw/zinc/26/43/69/518264369.db2.gz QYFLNGRBIFSFGN-BXUZGUMPSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@H](Cc1ccc(F)c(Br)c1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584287010 518264373 /nfs/dbraw/zinc/26/43/73/518264373.db2.gz QYFLNGRBIFSFGN-BXUZGUMPSA-N 1 3 359.283 2.564 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)C1 ZINC000572619965 518280717 /nfs/dbraw/zinc/28/07/17/518280717.db2.gz YOXPTPWGVPDXDY-XSDIEEQYSA-N 1 3 370.541 2.667 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000581432926 518283528 /nfs/dbraw/zinc/28/35/28/518283528.db2.gz PXGRNGXKHYLCGK-ZVDOUQERSA-N 1 3 358.530 2.823 20 0 FFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000572648547 518292758 /nfs/dbraw/zinc/29/27/58/518292758.db2.gz IDVRTFMNUIGPFA-HXUWFJFHSA-N 1 3 353.466 2.843 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)N2CCCC2)cc1 ZINC000578623552 518298353 /nfs/dbraw/zinc/29/83/53/518298353.db2.gz VGBZWQSRCMOAEX-UYAOXDASSA-N 1 3 358.530 2.902 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(OC)c1 ZINC000578639939 518306203 /nfs/dbraw/zinc/30/62/03/518306203.db2.gz KHSWAYOULGNSLI-VKCQWTKXSA-N 1 3 360.498 2.542 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000578639939 518306213 /nfs/dbraw/zinc/30/62/13/518306213.db2.gz KHSWAYOULGNSLI-VKCQWTKXSA-N 1 3 360.498 2.542 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000578639939 518306221 /nfs/dbraw/zinc/30/62/21/518306221.db2.gz KHSWAYOULGNSLI-VKCQWTKXSA-N 1 3 360.498 2.542 20 0 FFADHO COc1cc2c(cc1CN1CCC([C@@H]3OCCC[C@@H]3[NH3+])CC1)O[C@@H](C)C2 ZINC000572702392 518320709 /nfs/dbraw/zinc/32/07/09/518320709.db2.gz CSDJJBJSCGMTDG-XQAUZQBESA-N 1 3 360.498 2.737 20 0 FFADHO Clc1cccnc1OCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000584404852 518326112 /nfs/dbraw/zinc/32/61/12/518326112.db2.gz KBCVDXRIOSAVOT-VQIMIIECSA-N 1 3 359.857 2.959 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000572768325 518352476 /nfs/dbraw/zinc/35/24/76/518352476.db2.gz FBSIUJSVPHQDBG-GOSISDBHSA-N 1 3 373.541 2.845 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000572768325 518352479 /nfs/dbraw/zinc/35/24/79/518352479.db2.gz FBSIUJSVPHQDBG-GOSISDBHSA-N 1 3 373.541 2.845 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000567117729 518360185 /nfs/dbraw/zinc/36/01/85/518360185.db2.gz QTDCZZSZZXUIQA-YOEHRIQHSA-N 1 3 354.926 2.972 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000578863888 518411383 /nfs/dbraw/zinc/41/13/83/518411383.db2.gz AECCLKPKTQATTO-WSTZPKSXSA-N 1 3 358.530 2.728 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)C1 ZINC000576209786 518481753 /nfs/dbraw/zinc/48/17/53/518481753.db2.gz SHCJLNXAUMAXPF-PMACEKPBSA-N 1 3 352.482 2.862 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N2CCCC2)cc1 ZINC000584829237 518497812 /nfs/dbraw/zinc/49/78/12/518497812.db2.gz LVOXNDYYDBDBTA-XLIONFOSSA-N 1 3 358.530 2.901 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000576260778 518508427 /nfs/dbraw/zinc/50/84/27/518508427.db2.gz WOFMKHKGBYWVIV-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000567417269 518512300 /nfs/dbraw/zinc/51/23/00/518512300.db2.gz NCKXVRHUMFKQFN-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1cc(C)n(-c2ccc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2)n1 ZINC000576283729 518517399 /nfs/dbraw/zinc/51/73/99/518517399.db2.gz ZUBJSNYJFWYLOB-IBGZPJMESA-N 1 3 354.498 2.676 20 0 FFADHO N[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000582235400 518652043 /nfs/dbraw/zinc/65/20/43/518652043.db2.gz DUQNMWBZXNHPIA-NHCUHLMSSA-N 1 3 364.493 2.824 20 0 FFADHO [NH3+][C@@H]1C[C@@H](NC2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000582235400 518652049 /nfs/dbraw/zinc/65/20/49/518652049.db2.gz DUQNMWBZXNHPIA-NHCUHLMSSA-N 1 3 364.493 2.824 20 0 FFADHO Cc1cc(NC(=O)CCNCc2cccc(C[NH+]3CCC(C)CC3)c2)no1 ZINC000567683402 518652598 /nfs/dbraw/zinc/65/25/98/518652598.db2.gz MYIDBVHFIVWMEZ-UHFFFAOYSA-N 1 3 370.497 2.755 20 0 FFADHO CC(C)OC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000564855678 518656075 /nfs/dbraw/zinc/65/60/75/518656075.db2.gz GMJKSNPEAQZINK-GOSISDBHSA-N 1 3 354.922 2.928 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCCC[C@H]3[C@H](C)[NH3+])c2)CC1 ZINC000570543521 518659597 /nfs/dbraw/zinc/65/95/97/518659597.db2.gz PZCANHDMAPPODD-LPHOPBHVSA-N 1 3 359.518 2.562 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000573477276 518684494 /nfs/dbraw/zinc/68/44/94/518684494.db2.gz DRZNNHOZRWAFKI-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000579452862 518688443 /nfs/dbraw/zinc/68/84/43/518688443.db2.gz IEQHWOJIUVNZER-CMKODMSKSA-N 1 3 373.545 2.595 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000570910467 518837184 /nfs/dbraw/zinc/83/71/84/518837184.db2.gz BGZIXCGYZKHDJK-GOSISDBHSA-N 1 3 358.530 2.648 20 0 FFADHO CCC[C@@H]1CN(CCCc2cncn2C)CC[N@@H+]1CCCc1cncn1C ZINC000570981058 518869940 /nfs/dbraw/zinc/86/99/40/518869940.db2.gz CLYXERSMCGCHOF-OAQYLSRUSA-N 1 3 372.561 2.505 20 0 FFADHO CCC[C@@H]1CN(CCCc2cncn2C)CC[N@H+]1CCCc1cncn1C ZINC000570981058 518869945 /nfs/dbraw/zinc/86/99/45/518869945.db2.gz CLYXERSMCGCHOF-OAQYLSRUSA-N 1 3 372.561 2.505 20 0 FFADHO CCC[C@@H]1C[N@H+](CCCc2cncn2C)CCN1CCCc1cncn1C ZINC000570981058 518869950 /nfs/dbraw/zinc/86/99/50/518869950.db2.gz CLYXERSMCGCHOF-OAQYLSRUSA-N 1 3 372.561 2.505 20 0 FFADHO CCC[C@@H]1C[N@@H+](CCCc2cncn2C)CCN1CCCc1cncn1C ZINC000570981058 518869953 /nfs/dbraw/zinc/86/99/53/518869953.db2.gz CLYXERSMCGCHOF-OAQYLSRUSA-N 1 3 372.561 2.505 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)N2CCCC2)cc1 ZINC000579843269 518883573 /nfs/dbraw/zinc/88/35/73/518883573.db2.gz ZJBRXQKQCBEFGT-HXUWFJFHSA-N 1 3 358.530 2.902 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000579864603 518893374 /nfs/dbraw/zinc/89/33/74/518893374.db2.gz LEWYGCHAIBZZHU-QAPCUYQASA-N 1 3 361.486 2.654 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000579864603 518893377 /nfs/dbraw/zinc/89/33/77/518893377.db2.gz LEWYGCHAIBZZHU-QAPCUYQASA-N 1 3 361.486 2.654 20 0 FFADHO C[C@@H](CNC[C@@H](O)COCc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000582780618 518918670 /nfs/dbraw/zinc/91/86/70/518918670.db2.gz YLPAIMXLADUJIK-FUHWJXTLSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccccc1Cl)CN1CCCCC1 ZINC000582780618 518918680 /nfs/dbraw/zinc/91/86/80/518918680.db2.gz YLPAIMXLADUJIK-FUHWJXTLSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000580079481 518998058 /nfs/dbraw/zinc/99/80/58/518998058.db2.gz QXFXDRCYVXRMFO-UTKZUKDTSA-N 1 3 369.484 2.991 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000582952324 519003851 /nfs/dbraw/zinc/00/38/51/519003851.db2.gz SGVHLJYWRULIOC-NHCUHLMSSA-N 1 3 354.498 2.899 20 0 FFADHO C[N@H+](CCCNC(=O)N1CCc2ccccc2[C@@H]1CN)Cc1ccccc1 ZINC000582963418 519010689 /nfs/dbraw/zinc/01/06/89/519010689.db2.gz RKYRXMYWZPFABF-NRFANRHFSA-N 1 3 366.509 2.776 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CCc2ccccc2[C@@H]1CN)Cc1ccccc1 ZINC000582963418 519010697 /nfs/dbraw/zinc/01/06/97/519010697.db2.gz RKYRXMYWZPFABF-NRFANRHFSA-N 1 3 366.509 2.776 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)Cc2ccc3ccccc3c2)CCCO1 ZINC000580183827 519048615 /nfs/dbraw/zinc/04/86/15/519048615.db2.gz WSZKXRUFGPTCKZ-GCJKJVERSA-N 1 3 356.510 2.834 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)Cc2ccc3ccccc3c2)CCCO1 ZINC000580183827 519048625 /nfs/dbraw/zinc/04/86/25/519048625.db2.gz WSZKXRUFGPTCKZ-GCJKJVERSA-N 1 3 356.510 2.834 20 0 FFADHO [NH3+]CCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000580190918 519053272 /nfs/dbraw/zinc/05/32/72/519053272.db2.gz XWVGXRFYVJEQKB-NHCUHLMSSA-N 1 3 366.509 2.890 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000580231089 519072293 /nfs/dbraw/zinc/07/22/93/519072293.db2.gz ODJFNRBCZZKAQL-VQIMIIECSA-N 1 3 360.502 2.718 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000583141222 519097799 /nfs/dbraw/zinc/09/77/99/519097799.db2.gz KEMQVHOVRGHLFL-IHPCNDPISA-N 1 3 359.514 2.856 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)c1OC ZINC000583167023 519109160 /nfs/dbraw/zinc/10/91/60/519109160.db2.gz KGXBMENVBLXLDE-RTBURBONSA-N 1 3 362.514 2.870 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](N)c3ccccc3C)cc2)CC1 ZINC000574395954 519134948 /nfs/dbraw/zinc/13/49/48/519134948.db2.gz LJEFDBHGOLJQJH-OAQYLSRUSA-N 1 3 366.509 2.771 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000577605509 519164509 /nfs/dbraw/zinc/16/45/09/519164509.db2.gz HOBOAUYNRKYGSH-QGZVFWFLSA-N 1 3 350.551 2.802 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)CCSC)CC2)CC1 ZINC000571579251 519164765 /nfs/dbraw/zinc/16/47/65/519164765.db2.gz KEZWUPRNRHHPFK-INIZCTEOSA-N 1 3 355.592 2.783 20 0 FFADHO c1c(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2n1CCCC2 ZINC000580420945 519169355 /nfs/dbraw/zinc/16/93/55/519169355.db2.gz MLVJGVRWICSJHG-RXVVDRJESA-N 1 3 352.482 2.607 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC(C[NH2+]C)CC3)c(C)c2)CC1 ZINC000583309916 519181661 /nfs/dbraw/zinc/18/16/61/519181661.db2.gz VQRHETLBTVBIIL-UHFFFAOYSA-N 1 3 373.545 2.600 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3Cc4ccccc4C3)CC2)CC1 ZINC000574582984 519229071 /nfs/dbraw/zinc/22/90/71/519229071.db2.gz PNEJHSHBHAZTDZ-UHFFFAOYSA-N 1 3 369.553 2.714 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cn1 ZINC000571734656 519244740 /nfs/dbraw/zinc/24/47/40/519244740.db2.gz IFPMWAJQLRNIIY-UKRRQHHQSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cn1 ZINC000571734656 519244742 /nfs/dbraw/zinc/24/47/42/519244742.db2.gz IFPMWAJQLRNIIY-UKRRQHHQSA-N 1 3 356.308 2.732 20 0 FFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000568862050 519255538 /nfs/dbraw/zinc/25/55/38/519255538.db2.gz BDFAFDRFLYSQPY-CTNGQTDRSA-N 1 3 372.557 2.613 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000571777043 519271131 /nfs/dbraw/zinc/27/11/31/519271131.db2.gz XMCPGDCZISGWNP-FXAWDEMLSA-N 1 3 358.530 2.541 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000571777043 519271140 /nfs/dbraw/zinc/27/11/40/519271140.db2.gz XMCPGDCZISGWNP-FXAWDEMLSA-N 1 3 358.530 2.541 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)COCc1ccccc1F ZINC000566112005 519308417 /nfs/dbraw/zinc/30/84/17/519308417.db2.gz PKDGPCRQIMPHBA-FQEVSTJZSA-N 1 3 373.472 2.604 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000580734089 519330328 /nfs/dbraw/zinc/33/03/28/519330328.db2.gz FQUCQLWTGZBJDK-LMCOJAPRSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000580734089 519330334 /nfs/dbraw/zinc/33/03/34/519330334.db2.gz FQUCQLWTGZBJDK-LMCOJAPRSA-N 1 3 356.514 2.528 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C1 ZINC000571890622 519332558 /nfs/dbraw/zinc/33/25/58/519332558.db2.gz SGVBUDJZRHVPRC-RBUKOAKNSA-N 1 3 358.461 2.934 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000580848479 519390403 /nfs/dbraw/zinc/39/04/03/519390403.db2.gz ZXRIMGHDXRMMGI-GJZGRUSLSA-N 1 3 370.335 2.709 20 0 FFADHO CN(C)C1(CNC(=O)CC[C@H]([NH3+])c2ccccc2)Cc2ccccc2C1 ZINC000581009853 519475764 /nfs/dbraw/zinc/47/57/64/519475764.db2.gz LKJMZVVKPKYKLA-FQEVSTJZSA-N 1 3 351.494 2.682 20 0 FFADHO COCCC[NH+]1CCC(NC[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000575116458 519509013 /nfs/dbraw/zinc/50/90/13/519509013.db2.gz AFVZEAVMSBVOKY-QGZVFWFLSA-N 1 3 374.447 2.699 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000583942617 519510713 /nfs/dbraw/zinc/51/07/13/519510713.db2.gz JSIBQZPAMBJULK-OALUTQOASA-N 1 3 364.530 2.804 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000583942617 519510715 /nfs/dbraw/zinc/51/07/15/519510715.db2.gz JSIBQZPAMBJULK-OALUTQOASA-N 1 3 364.530 2.804 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000591102069 519512234 /nfs/dbraw/zinc/51/22/34/519512234.db2.gz YBBMQLXHVYMGLI-ROUUACIJSA-N 1 3 359.514 2.621 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000591102069 519512237 /nfs/dbraw/zinc/51/22/37/519512237.db2.gz YBBMQLXHVYMGLI-ROUUACIJSA-N 1 3 359.514 2.621 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000575151984 519527556 /nfs/dbraw/zinc/52/75/56/519527556.db2.gz HMJGXAHYIMNHGW-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000578322369 519533469 /nfs/dbraw/zinc/53/34/69/519533469.db2.gz WAPWFBTWEBHNIK-VQTJNVASSA-N 1 3 370.541 2.530 20 0 FFADHO Cc1c(F)cccc1NC(=O)CCNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000578351139 519550108 /nfs/dbraw/zinc/55/01/08/519550108.db2.gz IIEWXJSFUHBNQE-HNNXBMFYSA-N 1 3 351.466 2.553 20 0 FFADHO Cc1c(F)cccc1NC(=O)CCNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000578351139 519550111 /nfs/dbraw/zinc/55/01/11/519550111.db2.gz IIEWXJSFUHBNQE-HNNXBMFYSA-N 1 3 351.466 2.553 20 0 FFADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000581178930 519560918 /nfs/dbraw/zinc/56/09/18/519560918.db2.gz HMPKBJDSAQVNEU-IRXDYDNUSA-N 1 3 360.502 2.752 20 0 FFADHO CC(C)NCCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572392155 519591471 /nfs/dbraw/zinc/59/14/71/519591471.db2.gz SZUSSNGUVXYCIU-SJORKVTESA-N 1 3 357.498 2.962 20 0 FFADHO CC(C)[NH2+]CCCN[C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572392155 519591478 /nfs/dbraw/zinc/59/14/78/519591478.db2.gz SZUSSNGUVXYCIU-SJORKVTESA-N 1 3 357.498 2.962 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCN1C ZINC000591443123 519626556 /nfs/dbraw/zinc/62/65/56/519626556.db2.gz HFLXIABTELDWMG-ZWKOTPCHSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCN1C ZINC000591443123 519626558 /nfs/dbraw/zinc/62/65/58/519626558.db2.gz HFLXIABTELDWMG-ZWKOTPCHSA-N 1 3 359.514 2.764 20 0 FFADHO CN(C)[C@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000591540246 519942856 /nfs/dbraw/zinc/94/28/56/519942856.db2.gz MRGYLJDEFFMRIM-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000591543914 519944423 /nfs/dbraw/zinc/94/44/23/519944423.db2.gz RDNHAEDVYMMNPQ-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000597444711 520032292 /nfs/dbraw/zinc/03/22/92/520032292.db2.gz QNQVUZULBMPGPE-WOJBJXKFSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000597444711 520032300 /nfs/dbraw/zinc/03/23/00/520032300.db2.gz QNQVUZULBMPGPE-WOJBJXKFSA-N 1 3 362.562 2.815 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000608617514 520047997 /nfs/dbraw/zinc/04/79/97/520047997.db2.gz WXRBIDJDWWJQSX-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](C(=O)N(C)CC[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000600132469 520072062 /nfs/dbraw/zinc/07/20/62/520072062.db2.gz SJKKFESMDKUKNP-LJQANCHMSA-N 1 3 357.542 2.884 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594736103 520123412 /nfs/dbraw/zinc/12/34/12/520123412.db2.gz PRAIUTDAXTXRKO-APWZRJJASA-N 1 3 360.498 2.839 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000612861911 520193864 /nfs/dbraw/zinc/19/38/64/520193864.db2.gz CMXVOYPEWHJHEQ-MAUKXSAKSA-N 1 3 350.532 2.572 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]1C ZINC000594969588 520234390 /nfs/dbraw/zinc/23/43/90/520234390.db2.gz QSWARWCMMILOQN-VDGAXYAQSA-N 1 3 359.514 2.861 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978757 520253957 /nfs/dbraw/zinc/25/39/57/520253957.db2.gz BIAUCWRNCWQUAM-RTBURBONSA-N 1 3 358.530 2.584 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000617015119 520285419 /nfs/dbraw/zinc/28/54/19/520285419.db2.gz VHUCALHJZHHUDO-HXUWFJFHSA-N 1 3 372.557 2.578 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000617015119 520285426 /nfs/dbraw/zinc/28/54/26/520285426.db2.gz VHUCALHJZHHUDO-HXUWFJFHSA-N 1 3 372.557 2.578 20 0 FFADHO COC(=O)c1cnc(C2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)s1 ZINC000600722930 520424423 /nfs/dbraw/zinc/42/44/23/520424423.db2.gz KTEJJVKMXAVMAP-UHFFFAOYSA-N 1 3 371.506 2.955 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCc2ccccc21 ZINC000604321977 520518831 /nfs/dbraw/zinc/51/88/31/520518831.db2.gz DUNIHGMVMIIZDV-VQTJNVASSA-N 1 3 357.542 2.981 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCc2ccccc21 ZINC000604321977 520518836 /nfs/dbraw/zinc/51/88/36/520518836.db2.gz DUNIHGMVMIIZDV-VQTJNVASSA-N 1 3 357.542 2.981 20 0 FFADHO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506480 520540759 /nfs/dbraw/zinc/54/07/59/520540759.db2.gz OXGKTTIBMPBGQW-INIZCTEOSA-N 1 3 371.529 2.695 20 0 FFADHO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506480 520540764 /nfs/dbraw/zinc/54/07/64/520540764.db2.gz OXGKTTIBMPBGQW-INIZCTEOSA-N 1 3 371.529 2.695 20 0 FFADHO Cc1cccc2c(CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c[nH]c21 ZINC000617505685 520541718 /nfs/dbraw/zinc/54/17/18/520541718.db2.gz MPWOOJHAOGCHSR-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO Cc1cccc2c(CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c[nH]c21 ZINC000617505685 520541724 /nfs/dbraw/zinc/54/17/24/520541724.db2.gz MPWOOJHAOGCHSR-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000617506443 520543102 /nfs/dbraw/zinc/54/31/02/520543102.db2.gz NRCRUSYMRXUZHL-LPHOPBHVSA-N 1 3 351.510 2.954 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000617506443 520543109 /nfs/dbraw/zinc/54/31/09/520543109.db2.gz NRCRUSYMRXUZHL-LPHOPBHVSA-N 1 3 351.510 2.954 20 0 FFADHO Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617505482 520543733 /nfs/dbraw/zinc/54/37/33/520543733.db2.gz DZRRJRCFCJWFQK-NSHDSACASA-N 1 3 363.474 2.660 20 0 FFADHO Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617505482 520543741 /nfs/dbraw/zinc/54/37/41/520543741.db2.gz DZRRJRCFCJWFQK-NSHDSACASA-N 1 3 363.474 2.660 20 0 FFADHO CN(CCC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1ccncc1 ZINC000618353499 521022950 /nfs/dbraw/zinc/02/29/50/521022950.db2.gz IFVWYIXIDNHPAF-OAQYLSRUSA-N 1 3 366.509 2.683 20 0 FFADHO CN(CCC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)c1ccncc1 ZINC000618353499 521022956 /nfs/dbraw/zinc/02/29/56/521022956.db2.gz IFVWYIXIDNHPAF-OAQYLSRUSA-N 1 3 366.509 2.683 20 0 FFADHO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(OCCN(C)C)c1 ZINC000606589971 521106623 /nfs/dbraw/zinc/10/66/23/521106623.db2.gz RKFGHZROGIJSMZ-QGZVFWFLSA-N 1 3 362.518 2.787 20 0 FFADHO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c(OCCN(C)C)c1 ZINC000606589971 521106627 /nfs/dbraw/zinc/10/66/27/521106627.db2.gz RKFGHZROGIJSMZ-QGZVFWFLSA-N 1 3 362.518 2.787 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606634986 521113567 /nfs/dbraw/zinc/11/35/67/521113567.db2.gz DPFANSOFOMIPMI-GOSISDBHSA-N 1 3 372.557 2.989 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000606638674 521118370 /nfs/dbraw/zinc/11/83/70/521118370.db2.gz UJCCXQRGYVFXGN-DYESRHJHSA-N 1 3 372.557 2.853 20 0 FFADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000606700020 521141754 /nfs/dbraw/zinc/14/17/54/521141754.db2.gz ALXQGYJZZNBEHC-MRXNPFEDSA-N 1 3 362.518 2.616 20 0 FFADHO COC(=O)c1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C)s1 ZINC000593736083 521182387 /nfs/dbraw/zinc/18/23/87/521182387.db2.gz FOUZCOCXMCPICC-NUEKZKHPSA-N 1 3 352.500 2.561 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000618869498 521271859 /nfs/dbraw/zinc/27/18/59/521271859.db2.gz ZFKIJCRWMOTQTI-QGZVFWFLSA-N 1 3 361.530 2.867 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000618869498 521271869 /nfs/dbraw/zinc/27/18/69/521271869.db2.gz ZFKIJCRWMOTQTI-QGZVFWFLSA-N 1 3 361.530 2.867 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCN(C2CC2)C1 ZINC000615447432 521406676 /nfs/dbraw/zinc/40/66/76/521406676.db2.gz JHDKTFDEZMWTIH-FPOVZHCZSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN(C2CC2)C1 ZINC000615447432 521406684 /nfs/dbraw/zinc/40/66/84/521406684.db2.gz JHDKTFDEZMWTIH-FPOVZHCZSA-N 1 3 369.553 2.884 20 0 FFADHO OCC[C@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](CCO)C2)C1 ZINC000607733836 521447506 /nfs/dbraw/zinc/44/75/06/521447506.db2.gz QAWIZXNMJYPVDO-WOJBJXKFSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](CCO)C2)C1 ZINC000607733836 521447513 /nfs/dbraw/zinc/44/75/13/521447513.db2.gz QAWIZXNMJYPVDO-WOJBJXKFSA-N 1 3 360.542 2.875 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2sc(C)nc2C)CC1 ZINC000607753478 521452080 /nfs/dbraw/zinc/45/20/80/521452080.db2.gz ROINOXXGIOIOGC-UHFFFAOYSA-N 1 3 366.575 2.820 20 0 FFADHO Cn1nc(C(=O)OC(C)(C)C)cc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000602715751 521493943 /nfs/dbraw/zinc/49/39/43/521493943.db2.gz ATGPSENRZKNYIQ-UHFFFAOYSA-N 1 3 362.518 2.587 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@H](N3CCCCC3)C2)([NH+](C)C)C1 ZINC000594292899 521542534 /nfs/dbraw/zinc/54/25/34/521542534.db2.gz HESWNZSZLSCQKM-GGPKGHCWSA-N 1 3 350.551 2.767 20 0 FFADHO CN(CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000594293652 521542720 /nfs/dbraw/zinc/54/27/20/521542720.db2.gz UFEPVVDNXDTNHH-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C(C)(C)C3(F)F)CC2)CC1 ZINC000619391811 521547105 /nfs/dbraw/zinc/54/71/05/521547105.db2.gz OQAQROBUYOCYEW-MRXNPFEDSA-N 1 3 357.489 2.590 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccc3nccnc3c2)(N2CCCCC2)CC1 ZINC000634964766 521838800 /nfs/dbraw/zinc/83/88/00/521838800.db2.gz LJTVAWLJJACCFG-UHFFFAOYSA-N 1 3 353.514 2.670 20 0 FFADHO Fc1ccc([C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2ncc[nH]2)cc1 ZINC000635006027 521864020 /nfs/dbraw/zinc/86/40/20/521864020.db2.gz ALGIFUAQYWUMFN-GOSISDBHSA-N 1 3 352.417 2.555 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000623337985 521946387 /nfs/dbraw/zinc/94/63/87/521946387.db2.gz FKZWJOSIDIPWHU-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000623337985 521946397 /nfs/dbraw/zinc/94/63/97/521946397.db2.gz FKZWJOSIDIPWHU-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000623547626 522108247 /nfs/dbraw/zinc/10/82/47/522108247.db2.gz VZILXARAUPOFBC-FDFHNCONSA-N 1 3 365.521 2.621 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000623547626 522108253 /nfs/dbraw/zinc/10/82/53/522108253.db2.gz VZILXARAUPOFBC-FDFHNCONSA-N 1 3 365.521 2.621 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000623636725 522182159 /nfs/dbraw/zinc/18/21/59/522182159.db2.gz GZVMAERBVCRPPL-QWFCFKBJSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[N@H+]1CCCC[C@H]1C ZINC000623636725 522182160 /nfs/dbraw/zinc/18/21/60/522182160.db2.gz GZVMAERBVCRPPL-QWFCFKBJSA-N 1 3 358.530 2.673 20 0 FFADHO CN1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000623656108 522195215 /nfs/dbraw/zinc/19/52/15/522195215.db2.gz NEUBKZAUQXKTLH-OAHLLOKOSA-N 1 3 356.470 2.669 20 0 FFADHO O=C(N1CCC(N2CCc3ccccc3C2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635445334 522267745 /nfs/dbraw/zinc/26/77/45/522267745.db2.gz VHBPUCYBSWAQMH-UHFFFAOYSA-N 1 3 367.537 2.912 20 0 FFADHO C[NH2+]CCOCCN[C@@H](c1ccc(OC)cc1Br)C(C)C ZINC000629530820 522298701 /nfs/dbraw/zinc/29/87/01/522298701.db2.gz RZHMDVBETLVUMN-MRXNPFEDSA-N 1 3 359.308 2.980 20 0 FFADHO C[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C[NH2+]1 ZINC000629541812 522300114 /nfs/dbraw/zinc/30/01/14/522300114.db2.gz WRFUVYAVVKCMHA-LTIDMASMSA-N 1 3 355.482 2.714 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000623837294 522318089 /nfs/dbraw/zinc/31/80/89/522318089.db2.gz VIHJEMZCAKDXHC-ICSRJNTNSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000623837294 522318097 /nfs/dbraw/zinc/31/80/97/522318097.db2.gz VIHJEMZCAKDXHC-ICSRJNTNSA-N 1 3 358.530 2.674 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000623878222 522341853 /nfs/dbraw/zinc/34/18/53/522341853.db2.gz BWPPWEZHNPEATL-MXEMCNAFSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000623878222 522341863 /nfs/dbraw/zinc/34/18/63/522341863.db2.gz BWPPWEZHNPEATL-MXEMCNAFSA-N 1 3 370.541 2.681 20 0 FFADHO c1nc2c(s1)CCC[C@H]2NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000623881396 522343759 /nfs/dbraw/zinc/34/37/59/522343759.db2.gz MJNYGSMLJMMDRV-QGZVFWFLSA-N 1 3 357.527 2.717 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])CC3)c(C)c2)CC1 ZINC000632908107 522381591 /nfs/dbraw/zinc/38/15/91/522381591.db2.gz DSIXJEJWBIYCLW-IYARVYRRSA-N 1 3 373.545 2.776 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635650950 522421538 /nfs/dbraw/zinc/42/15/38/522421538.db2.gz GIPSJWKRHOSULY-AZUAARDMSA-N 1 3 355.526 2.889 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000635667692 522438550 /nfs/dbraw/zinc/43/85/50/522438550.db2.gz NZKXXQZTAQJQIH-FQEVSTJZSA-N 1 3 373.541 2.516 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000635667692 522438564 /nfs/dbraw/zinc/43/85/64/522438564.db2.gz NZKXXQZTAQJQIH-FQEVSTJZSA-N 1 3 373.541 2.516 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(OC)c1 ZINC000624119869 522487437 /nfs/dbraw/zinc/48/74/37/522487437.db2.gz LDKKLSFAWITZGX-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c(OC)c1 ZINC000624119869 522487447 /nfs/dbraw/zinc/48/74/47/522487447.db2.gz LDKKLSFAWITZGX-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624119869 522487456 /nfs/dbraw/zinc/48/74/56/522487456.db2.gz LDKKLSFAWITZGX-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cccc(OC)c1 ZINC000626926770 522534766 /nfs/dbraw/zinc/53/47/66/522534766.db2.gz OFBJXVHLYBLJOK-RTBURBONSA-N 1 3 374.529 2.662 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000633142859 522551508 /nfs/dbraw/zinc/55/15/08/522551508.db2.gz GIYHWLDQNLGIBP-OALUTQOASA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)C[C@@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000630037971 522596536 /nfs/dbraw/zinc/59/65/36/522596536.db2.gz MJXSMNAHBHGQBX-HLRQEUIKSA-N 1 3 360.542 2.883 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)C[C@@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000630037971 522596548 /nfs/dbraw/zinc/59/65/48/522596548.db2.gz MJXSMNAHBHGQBX-HLRQEUIKSA-N 1 3 360.542 2.883 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C[NH2+]1 ZINC000627029774 522602439 /nfs/dbraw/zinc/60/24/39/522602439.db2.gz AFWSSBMNIDLLTL-NZSAHSFTSA-N 1 3 358.530 2.727 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C[NH2+]1 ZINC000627029776 522603144 /nfs/dbraw/zinc/60/31/44/522603144.db2.gz AFWSSBMNIDLLTL-QRQLOZEOSA-N 1 3 358.530 2.727 20 0 FFADHO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000621649855 522997104 /nfs/dbraw/zinc/99/71/04/522997104.db2.gz PXBYVDLTWNXPME-GOSISDBHSA-N 1 3 370.541 2.937 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c2ccccc21 ZINC000621756766 523061822 /nfs/dbraw/zinc/06/18/22/523061822.db2.gz TYPNGMOJURWOSX-BVSLBCMMSA-N 1 3 371.525 2.842 20 0 FFADHO Cc1cccc(CO[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000630862737 523197354 /nfs/dbraw/zinc/19/73/54/523197354.db2.gz LUXVERFOWPOTCZ-GOSISDBHSA-N 1 3 373.541 2.575 20 0 FFADHO CN(CCN1CCCC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625246339 523288870 /nfs/dbraw/zinc/28/88/70/523288870.db2.gz VCZBVTJAOGIHCT-LEWJYISDSA-N 1 3 355.526 2.699 20 0 FFADHO CN(CCN1CCCC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625246339 523288877 /nfs/dbraw/zinc/28/88/77/523288877.db2.gz VCZBVTJAOGIHCT-LEWJYISDSA-N 1 3 355.526 2.699 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1sc2ncccc2c1Cl ZINC000625290931 523324244 /nfs/dbraw/zinc/32/42/44/523324244.db2.gz XLKKMZNRTWZFHY-UHFFFAOYSA-N 1 3 354.907 2.515 20 0 FFADHO O=c1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000631144617 523416503 /nfs/dbraw/zinc/41/65/03/523416503.db2.gz OHZHKPHHZFXWCS-HXUWFJFHSA-N 1 3 367.493 2.806 20 0 FFADHO O=c1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000631144617 523416510 /nfs/dbraw/zinc/41/65/10/523416510.db2.gz OHZHKPHHZFXWCS-HXUWFJFHSA-N 1 3 367.493 2.806 20 0 FFADHO O=c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000631144617 523416520 /nfs/dbraw/zinc/41/65/20/523416520.db2.gz OHZHKPHHZFXWCS-HXUWFJFHSA-N 1 3 367.493 2.806 20 0 FFADHO C[NH+](C)CCOc1ccc(CCNCc2cnc3ccccc3n2)cc1 ZINC000628213599 523424567 /nfs/dbraw/zinc/42/45/67/523424567.db2.gz PIQYUHARHGNSMV-UHFFFAOYSA-N 1 3 350.466 2.903 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701467 523588996 /nfs/dbraw/zinc/58/89/96/523588996.db2.gz QGRNBRWWYDOKOP-BLLLJJGKSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701467 523589005 /nfs/dbraw/zinc/58/90/05/523589005.db2.gz QGRNBRWWYDOKOP-BLLLJJGKSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701467 523589011 /nfs/dbraw/zinc/58/90/11/523589011.db2.gz QGRNBRWWYDOKOP-BLLLJJGKSA-N 1 3 359.297 2.807 20 0 FFADHO FC(F)[C@H]1CCN(CCCCC[N@@H+]2CCO[C@@H](C(F)F)CC2)CCO1 ZINC000634757050 523637093 /nfs/dbraw/zinc/63/70/93/523637093.db2.gz KKLWVXDNFJKQFV-HUUCEWRRSA-N 1 3 370.431 2.869 20 0 FFADHO FC(F)[C@H]1CCN(CCCCC[N@H+]2CCO[C@@H](C(F)F)CC2)CCO1 ZINC000634757050 523637099 /nfs/dbraw/zinc/63/70/99/523637099.db2.gz KKLWVXDNFJKQFV-HUUCEWRRSA-N 1 3 370.431 2.869 20 0 FFADHO c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001164732481 720433218 /nfs/dbraw/zinc/43/32/18/720433218.db2.gz NQRVUFAOSRCXMK-RTWAWAEBSA-N 1 3 363.509 2.926 20 0 FFADHO C[N@H+](Cc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1)C1CC1 ZINC001164731701 720454732 /nfs/dbraw/zinc/45/47/32/720454732.db2.gz MCSISWBWFIZJCQ-SFTDATJTSA-N 1 3 363.509 2.924 20 0 FFADHO C[N@@H+](Cc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1)C1CC1 ZINC001164731701 720454741 /nfs/dbraw/zinc/45/47/41/720454741.db2.gz MCSISWBWFIZJCQ-SFTDATJTSA-N 1 3 363.509 2.924 20 0 FFADHO C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)C1CC[NH+](C)CC1 ZINC000155119771 728820937 /nfs/dbraw/zinc/82/09/37/728820937.db2.gz PXHMYJKFMJPSPG-HNNXBMFYSA-N 1 3 367.559 2.583 20 0 FFADHO C[C@@H](NCCCC[NH+]1CCN(C)CC1)c1nc(Br)ccc1F ZINC000924658711 738436912 /nfs/dbraw/zinc/43/69/12/738436912.db2.gz MMHWOSBNWOYRRJ-CYBMUJFWSA-N 1 3 373.314 2.661 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000292088342 729719400 /nfs/dbraw/zinc/71/94/00/729719400.db2.gz GMSJCIQGEMVPSQ-PBHICJAKSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000292088342 729719404 /nfs/dbraw/zinc/71/94/04/729719404.db2.gz GMSJCIQGEMVPSQ-PBHICJAKSA-N 1 3 359.297 2.761 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)CCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638473497 730028968 /nfs/dbraw/zinc/02/89/68/730028968.db2.gz BLWXKPSWPQWIDE-UHFFFAOYSA-N 1 3 367.921 2.802 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CC1(F)F ZINC000638871022 730049823 /nfs/dbraw/zinc/04/98/23/730049823.db2.gz IXWCOARPCDDDNP-RHSMWYFYSA-N 1 3 351.441 2.646 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)C[C@@](C)(O)C3CC3)C2)s1 ZINC000639632548 730091054 /nfs/dbraw/zinc/09/10/54/730091054.db2.gz CBGBJGNWIOTKMG-IMFGXOCKSA-N 1 3 366.571 2.722 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)C[C@@](C)(O)C3CC3)C2)s1 ZINC000639632548 730091056 /nfs/dbraw/zinc/09/10/56/730091056.db2.gz CBGBJGNWIOTKMG-IMFGXOCKSA-N 1 3 366.571 2.722 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C[C@H]1N(C)C ZINC000857163895 730382324 /nfs/dbraw/zinc/38/23/24/730382324.db2.gz HBFTYVPOERTWIY-IPMKNSEASA-N 1 3 361.555 2.613 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C[C@H]1N(C)C ZINC000857163895 730382327 /nfs/dbraw/zinc/38/23/27/730382327.db2.gz HBFTYVPOERTWIY-IPMKNSEASA-N 1 3 361.555 2.613 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000857305116 730390242 /nfs/dbraw/zinc/39/02/42/730390242.db2.gz YSDCAVAAWDSPGA-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000857305116 730390244 /nfs/dbraw/zinc/39/02/44/730390244.db2.gz YSDCAVAAWDSPGA-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862366216 730692225 /nfs/dbraw/zinc/69/22/25/730692225.db2.gz DXIVSCNJKIZMCX-HZPDHXFCSA-N 1 3 355.523 2.678 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862366216 730692226 /nfs/dbraw/zinc/69/22/26/730692226.db2.gz DXIVSCNJKIZMCX-HZPDHXFCSA-N 1 3 355.523 2.678 20 0 FFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649312991 730876136 /nfs/dbraw/zinc/87/61/36/730876136.db2.gz TUSBIHFGOFPTOE-OAHLLOKOSA-N 1 3 369.481 2.727 20 0 FFADHO CC[N@H+](CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)C1CCCCC1 ZINC000651220067 731066531 /nfs/dbraw/zinc/06/65/31/731066531.db2.gz QYWLAFQCMWJOFF-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+](CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)C1CCCCC1 ZINC000651220067 731066534 /nfs/dbraw/zinc/06/65/34/731066534.db2.gz QYWLAFQCMWJOFF-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CCc1nc(CN2CCC(CN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cs1 ZINC000925576957 738515288 /nfs/dbraw/zinc/51/52/88/738515288.db2.gz ZKFXAZJAWRMLTO-UYHBIPHVSA-N 1 3 360.571 2.504 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653114772 731240737 /nfs/dbraw/zinc/24/07/37/731240737.db2.gz WEJXGMRHQWGNFJ-MOPGFXCFSA-N 1 3 359.539 2.747 20 0 FFADHO C[C@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000653594286 731276909 /nfs/dbraw/zinc/27/69/09/731276909.db2.gz JJDAJXQYYIMFIW-OXJNMPFZSA-N 1 3 351.485 2.855 20 0 FFADHO C[C@H]1C[N@@H+](CCCc2c(F)cccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000653594286 731276912 /nfs/dbraw/zinc/27/69/12/731276912.db2.gz JJDAJXQYYIMFIW-OXJNMPFZSA-N 1 3 351.485 2.855 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654645307 731380077 /nfs/dbraw/zinc/38/00/77/731380077.db2.gz KHZIWVNTPTYDRL-UHFFFAOYSA-N 1 3 363.468 2.984 20 0 FFADHO CC1(C)C[C@@H](NCCCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]([NH3+])C1 ZINC000925677258 738522583 /nfs/dbraw/zinc/52/25/83/738522583.db2.gz WSRWBNPESWMNLY-CABCVRRESA-N 1 3 358.935 2.999 20 0 FFADHO CC1(C)C[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](N)C1 ZINC000925677258 738522585 /nfs/dbraw/zinc/52/25/85/738522585.db2.gz WSRWBNPESWMNLY-CABCVRRESA-N 1 3 358.935 2.999 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000925732992 738524889 /nfs/dbraw/zinc/52/48/89/738524889.db2.gz IGXMERHKUJPCPN-XPGWFJOJSA-N 1 3 364.555 2.952 20 0 FFADHO C[C@@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000925732319 738525014 /nfs/dbraw/zinc/52/50/14/738525014.db2.gz DVHKRELDNVMCCN-NBMRYCAZSA-N 1 3 350.528 2.560 20 0 FFADHO C[C@@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000925732319 738525018 /nfs/dbraw/zinc/52/50/18/738525018.db2.gz DVHKRELDNVMCCN-NBMRYCAZSA-N 1 3 350.528 2.560 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc(Cl)n1 ZINC000870991329 731583722 /nfs/dbraw/zinc/58/37/22/731583722.db2.gz DPYNNTOCJYQRSW-KDOFPFPSSA-N 1 3 352.910 2.657 20 0 FFADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000925849506 738535974 /nfs/dbraw/zinc/53/59/74/738535974.db2.gz DKQHWBNWNSMWGB-JQWIXIFHSA-N 1 3 372.296 2.912 20 0 FFADHO COc1ccc2c(c1)[C@H](NC[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCS2 ZINC000925850664 738536402 /nfs/dbraw/zinc/53/64/02/738536402.db2.gz PAEPJRXXJKDCDU-GDBMZVCRSA-N 1 3 362.495 2.507 20 0 FFADHO O=C1O[C@@H](CN[C@@H]2CCSc3c(F)cccc32)CC12CC[NH2+]CC2 ZINC000925852147 738536807 /nfs/dbraw/zinc/53/68/07/738536807.db2.gz GWQAJBJYSMPROH-IUODEOHRSA-N 1 3 350.459 2.638 20 0 FFADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)s1 ZINC000925854037 738537356 /nfs/dbraw/zinc/53/73/56/738537356.db2.gz JXHHRBPHLJDKFN-WDEREUQCSA-N 1 3 373.316 2.847 20 0 FFADHO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2CCN(CC3CC3)CC2)cc1 ZINC000658357117 731868767 /nfs/dbraw/zinc/86/87/67/731868767.db2.gz RDNUVDHOGNGHNJ-QGZVFWFLSA-N 1 3 364.555 2.869 20 0 FFADHO O=C(NC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1)c1ccsc1 ZINC000873208387 731890788 /nfs/dbraw/zinc/89/07/88/731890788.db2.gz NLVLRZFEAQYGLI-UHFFFAOYSA-N 1 3 361.536 2.850 20 0 FFADHO CS(=O)(=O)c1cccc([C@H](NC[C@H]2C[C@H]([NH3+])C2)c2ccc(F)cc2)c1 ZINC000873258659 731895481 /nfs/dbraw/zinc/89/54/81/731895481.db2.gz UDUJJJKTRQIYIV-OMWUSAIZSA-N 1 3 362.470 2.646 20 0 FFADHO Cc1c([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000873254157 731895677 /nfs/dbraw/zinc/89/56/77/731895677.db2.gz LXOFHXIJSMNPLY-QKCSRTOESA-N 1 3 364.291 2.726 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NCC1([NH+]2CCSCC2)CCCC1 ZINC000659288773 731959523 /nfs/dbraw/zinc/95/95/23/731959523.db2.gz RDCLJTRJPBMGHI-SFHVURJKSA-N 1 3 359.539 2.699 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000876741017 732275010 /nfs/dbraw/zinc/27/50/10/732275010.db2.gz LBKFBRPXLOAGSS-CQSZACIVSA-N 1 3 364.559 2.769 20 0 FFADHO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](CN)C1 ZINC000662312347 732295744 /nfs/dbraw/zinc/29/57/44/732295744.db2.gz YMJOXBMHNHXSPN-YPMHNXCESA-N 1 3 372.282 2.976 20 0 FFADHO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](CN)C1 ZINC000662312347 732295745 /nfs/dbraw/zinc/29/57/45/732295745.db2.gz YMJOXBMHNHXSPN-YPMHNXCESA-N 1 3 372.282 2.976 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)c1ccsc1 ZINC000663620653 732467581 /nfs/dbraw/zinc/46/75/81/732467581.db2.gz PRNRWMRZAXAXRO-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000663620653 732467582 /nfs/dbraw/zinc/46/75/82/732467582.db2.gz PRNRWMRZAXAXRO-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664629222 732609671 /nfs/dbraw/zinc/60/96/71/732609671.db2.gz JTLLZQMSEULVOG-BQFCYCMXSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664629222 732609673 /nfs/dbraw/zinc/60/96/73/732609673.db2.gz JTLLZQMSEULVOG-BQFCYCMXSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000664939033 732648965 /nfs/dbraw/zinc/64/89/65/732648965.db2.gz QMQCCVUMENAOLY-JKSUJKDBSA-N 1 3 362.509 2.773 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000664939033 732648969 /nfs/dbraw/zinc/64/89/69/732648969.db2.gz QMQCCVUMENAOLY-JKSUJKDBSA-N 1 3 362.509 2.773 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc2ccsc2s1 ZINC000666111063 732804041 /nfs/dbraw/zinc/80/40/41/732804041.db2.gz ISSBYZLCICKFNH-NSHDSACASA-N 1 3 355.533 2.751 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc2ccsc2s1 ZINC000666111063 732804044 /nfs/dbraw/zinc/80/40/44/732804044.db2.gz ISSBYZLCICKFNH-NSHDSACASA-N 1 3 355.533 2.751 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000666704639 732886495 /nfs/dbraw/zinc/88/64/95/732886495.db2.gz HTPQIHRSVQJBMM-DZGCQCFKSA-N 1 3 366.472 2.679 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000666704639 732886501 /nfs/dbraw/zinc/88/65/01/732886501.db2.gz HTPQIHRSVQJBMM-DZGCQCFKSA-N 1 3 366.472 2.679 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000668644680 733148834 /nfs/dbraw/zinc/14/88/34/733148834.db2.gz HEDDXVJEKMIMQB-CVEARBPZSA-N 1 3 350.532 2.511 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000670128450 733309015 /nfs/dbraw/zinc/30/90/15/733309015.db2.gz QRJZIHXSOWQRCT-KSSFIOAISA-N 1 3 366.937 2.972 20 0 FFADHO COc1ccc(OC)c([C@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000728572243 734532022 /nfs/dbraw/zinc/53/20/22/734532022.db2.gz UZFKDPHXCVRJCO-LJQANCHMSA-N 1 3 350.503 2.789 20 0 FFADHO COc1ccc(OC)c([C@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000728572243 734532024 /nfs/dbraw/zinc/53/20/24/734532024.db2.gz UZFKDPHXCVRJCO-LJQANCHMSA-N 1 3 350.503 2.789 20 0 FFADHO CN(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCN(C)C1 ZINC000892499090 734566386 /nfs/dbraw/zinc/56/63/86/734566386.db2.gz OTNYQWMFRYKTBZ-KRWDZBQOSA-N 1 3 364.559 2.696 20 0 FFADHO CCC[NH+]1CCC(CNCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894240686 734823488 /nfs/dbraw/zinc/82/34/88/734823488.db2.gz DLLSIOKREFCCGJ-UHFFFAOYSA-N 1 3 372.966 2.845 20 0 FFADHO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000903722539 736159441 /nfs/dbraw/zinc/15/94/41/736159441.db2.gz MFRXORIICRJSPA-BIMQEMHKSA-N 1 3 371.308 2.652 20 0 FFADHO Brc1cccc2c1OCC[C@@H]2NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903759922 736162909 /nfs/dbraw/zinc/16/29/09/736162909.db2.gz UOCSUXXARLUAJM-ISTRZQFTSA-N 1 3 367.287 2.631 20 0 FFADHO C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933732098 739680480 /nfs/dbraw/zinc/68/04/80/739680480.db2.gz GIVDQPFFZKBBGM-QKLQHJQFSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@H+]1C[C@@H]2CN(C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933732098 739680485 /nfs/dbraw/zinc/68/04/85/739680485.db2.gz GIVDQPFFZKBBGM-QKLQHJQFSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCC2)[C@@H]1c1cccs1 ZINC000905135899 736301118 /nfs/dbraw/zinc/30/11/18/736301118.db2.gz XHKDGGSJWZUXSC-JFIYKMOQSA-N 1 3 352.544 2.777 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCC2)[C@@H]1c1cccs1 ZINC000905135899 736301121 /nfs/dbraw/zinc/30/11/21/736301121.db2.gz XHKDGGSJWZUXSC-JFIYKMOQSA-N 1 3 352.544 2.777 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(F)c3)C2)[C@H]1C(C)C ZINC000922393988 738136807 /nfs/dbraw/zinc/13/68/07/738136807.db2.gz MMSQHZAWEBSERY-KONPQCLYSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(F)c3)C2)[C@H]1C(C)C ZINC000922393988 738136809 /nfs/dbraw/zinc/13/68/09/738136809.db2.gz MMSQHZAWEBSERY-KONPQCLYSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3F)C2)[C@H]1C(C)C ZINC000922395693 738137614 /nfs/dbraw/zinc/13/76/14/738137614.db2.gz YPNUGCTZQIFEIV-UAFMIMERSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3F)C2)[C@H]1C(C)C ZINC000922395693 738137616 /nfs/dbraw/zinc/13/76/16/738137616.db2.gz YPNUGCTZQIFEIV-UAFMIMERSA-N 1 3 350.478 2.794 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000931432303 739263655 /nfs/dbraw/zinc/26/36/55/739263655.db2.gz LYOTWVKFUHAEKB-HZSPNIEDSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC000931432303 739263658 /nfs/dbraw/zinc/26/36/58/739263658.db2.gz LYOTWVKFUHAEKB-HZSPNIEDSA-N 1 3 359.297 2.617 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796676548 740170151 /nfs/dbraw/zinc/17/01/51/740170151.db2.gz FRTAABJGPQYCML-GVDBMIGSSA-N 1 3 357.539 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2cnc(C)s2)CC[N@@H+]1C ZINC000960007372 740607927 /nfs/dbraw/zinc/60/79/27/740607927.db2.gz FAYATKUPWXJCQK-RYQLBKOJSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2cnc(C)s2)CC[N@H+]1C ZINC000960007372 740607931 /nfs/dbraw/zinc/60/79/31/740607931.db2.gz FAYATKUPWXJCQK-RYQLBKOJSA-N 1 3 364.559 2.653 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000819085358 742336141 /nfs/dbraw/zinc/33/61/41/742336141.db2.gz UMQDYZSEUPGIEF-ACJLOTCBSA-N 1 3 356.869 2.603 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC[C@@H](O)c1cccc(Cl)c1 ZINC000819316847 742372887 /nfs/dbraw/zinc/37/28/87/742372887.db2.gz VGBKHPUECYHTHZ-GOSISDBHSA-N 1 3 363.889 2.889 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C[NH+](C)C ZINC000821546798 742640219 /nfs/dbraw/zinc/64/02/19/742640219.db2.gz IZEDMGHIRLRVEZ-INIZCTEOSA-N 1 3 364.559 2.597 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC001022109134 742644558 /nfs/dbraw/zinc/64/45/58/742644558.db2.gz GDYYVAHABGMESD-QSJFSLAZSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC001022109134 742644561 /nfs/dbraw/zinc/64/45/61/742644561.db2.gz GDYYVAHABGMESD-QSJFSLAZSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC[C@H]3CCCC3(F)F)C2)CC[N@@H+]1C ZINC001031686465 742844670 /nfs/dbraw/zinc/84/46/70/742844670.db2.gz PUGKDVACZMHQTN-IXDOHACOSA-N 1 3 357.489 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC[C@H]3CCCC3(F)F)C2)CC[N@H+]1C ZINC001031686465 742844677 /nfs/dbraw/zinc/84/46/77/742844677.db2.gz PUGKDVACZMHQTN-IXDOHACOSA-N 1 3 357.489 2.590 20 0 FFADHO Cc1nc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001034647401 742928689 /nfs/dbraw/zinc/92/86/89/742928689.db2.gz GXYUQDMRSQDUCP-BASLNEPJSA-N 1 3 364.559 2.617 20 0 FFADHO Cc1nc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001034647401 742928692 /nfs/dbraw/zinc/92/86/92/742928692.db2.gz GXYUQDMRSQDUCP-BASLNEPJSA-N 1 3 364.559 2.617 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2sccc2Cl)CC[N@@H+]1C ZINC001034940001 742936771 /nfs/dbraw/zinc/93/67/71/742936771.db2.gz RECVWPMJFAJBSS-MGPQQGTHSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2sccc2Cl)CC[N@H+]1C ZINC001034940001 742936772 /nfs/dbraw/zinc/93/67/72/742936772.db2.gz RECVWPMJFAJBSS-MGPQQGTHSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CCN(CCC(F)(F)F)C3)C2)CC[N@@H+]1C ZINC001054134780 745003126 /nfs/dbraw/zinc/00/31/26/745003126.db2.gz NFNZPOCUTXEPOA-BFYDXBDKSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CCN(CCC(F)(F)F)C3)C2)CC[N@H+]1C ZINC001054134780 745003133 /nfs/dbraw/zinc/00/31/33/745003133.db2.gz NFNZPOCUTXEPOA-BFYDXBDKSA-N 1 3 361.452 2.594 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000831875779 745598069 /nfs/dbraw/zinc/59/80/69/745598069.db2.gz BJZGXDOZUKLAON-CZUORRHYSA-N 1 3 352.910 2.622 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)C2CCC([NH3+])CC2)N(C)C)cc1 ZINC000841908208 747485771 /nfs/dbraw/zinc/48/57/71/747485771.db2.gz WOWNIGNBLQOZRT-LEOMRAHMSA-N 1 3 364.559 2.923 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364171 747818349 /nfs/dbraw/zinc/81/83/49/747818349.db2.gz PNVRHPRWYMVDGL-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(Cl)n1 ZINC000852854924 749965967 /nfs/dbraw/zinc/96/59/67/749965967.db2.gz BFFUUSNYXYQKLI-WBVHZDCISA-N 1 3 364.921 2.957 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(Cl)n1 ZINC000852854924 749965973 /nfs/dbraw/zinc/96/59/73/749965973.db2.gz BFFUUSNYXYQKLI-WBVHZDCISA-N 1 3 364.921 2.957 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCOC2)C1 ZINC001104803556 970859857 /nfs/dbraw/zinc/85/98/57/970859857.db2.gz UMPPFLIOAJKYQR-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CNCc2ccccc21 ZINC000397630583 970878134 /nfs/dbraw/zinc/87/81/34/970878134.db2.gz NMGXYBVRTZXZSZ-JOCHJYFZSA-N 1 3 363.505 2.902 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@@H]3C2)c1 ZINC001087908435 971061075 /nfs/dbraw/zinc/06/10/75/971061075.db2.gz BXTQNGOZOBQDDG-KPFFTGBYSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@@H]3C2)c1 ZINC001087908435 971061078 /nfs/dbraw/zinc/06/10/78/971061078.db2.gz BXTQNGOZOBQDDG-KPFFTGBYSA-N 1 3 359.489 2.509 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000895969976 971119114 /nfs/dbraw/zinc/11/91/14/971119114.db2.gz BJFNGVIEMJQUHY-FXAWDEMLSA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000895969976 971119118 /nfs/dbraw/zinc/11/91/18/971119118.db2.gz BJFNGVIEMJQUHY-FXAWDEMLSA-N 1 3 361.530 2.971 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CCCCCF)C[C@@]3(C)C2)C1 ZINC001101365876 971148476 /nfs/dbraw/zinc/14/84/76/971148476.db2.gz OAMWQFVAJMNLDI-XLIONFOSSA-N 1 3 353.526 2.638 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CCCCCF)C[C@@]3(C)C2)C1 ZINC001101365876 971148482 /nfs/dbraw/zinc/14/84/82/971148482.db2.gz OAMWQFVAJMNLDI-XLIONFOSSA-N 1 3 353.526 2.638 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2conc2CC)C1 ZINC001104932826 971177336 /nfs/dbraw/zinc/17/73/36/971177336.db2.gz QMCMAOYGAKZZAR-IAGOWNOFSA-N 1 3 364.534 2.543 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2conc2CC)C1 ZINC001104932826 971177340 /nfs/dbraw/zinc/17/73/40/971177340.db2.gz QMCMAOYGAKZZAR-IAGOWNOFSA-N 1 3 364.534 2.543 20 0 FFADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001275856878 1013103641 /nfs/dbraw/zinc/10/36/41/1013103641.db2.gz MSKDTGMKBSRURB-IRXDYDNUSA-N 1 3 373.463 2.879 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cnccc3C)C[C@H]2C1 ZINC001087986511 971675424 /nfs/dbraw/zinc/67/54/24/971675424.db2.gz OYPYLVXZDOYANN-HLAWJBBLSA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cnccc3C)C[C@H]2C1 ZINC001087986511 971675428 /nfs/dbraw/zinc/67/54/28/971675428.db2.gz OYPYLVXZDOYANN-HLAWJBBLSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(-c2nncnn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000652034810 971769326 /nfs/dbraw/zinc/76/93/26/971769326.db2.gz DKFBAITXLVKUOS-UTKZUKDTSA-N 1 3 374.492 2.934 20 0 FFADHO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000648878543 1013112447 /nfs/dbraw/zinc/11/24/47/1013112447.db2.gz ZMJAMVBCRJEVEP-YLJYHZDGSA-N 1 3 358.530 2.804 20 0 FFADHO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000648878543 1013112456 /nfs/dbraw/zinc/11/24/56/1013112456.db2.gz ZMJAMVBCRJEVEP-YLJYHZDGSA-N 1 3 358.530 2.804 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088010761 971843173 /nfs/dbraw/zinc/84/31/73/971843173.db2.gz JFODUKGQYUHEEE-QHAWAJNXSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088010761 971843180 /nfs/dbraw/zinc/84/31/80/971843180.db2.gz JFODUKGQYUHEEE-QHAWAJNXSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]2C1)N(C)C ZINC001088011204 971844879 /nfs/dbraw/zinc/84/48/79/971844879.db2.gz DDFHFGZAKPAJDK-SVFBPWRDSA-N 1 3 368.525 2.788 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]2C1)N(C)C ZINC001088011204 971844883 /nfs/dbraw/zinc/84/48/83/971844883.db2.gz DDFHFGZAKPAJDK-SVFBPWRDSA-N 1 3 368.525 2.788 20 0 FFADHO CCC[NH+]1CCC(NC[C@]2(COC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000311433806 971955337 /nfs/dbraw/zinc/95/53/37/971955337.db2.gz SAFFAEORGOZPRV-FQEVSTJZSA-N 1 3 369.550 2.867 20 0 FFADHO Cn1cc(N2CCC[C@H](N3CCC[C@@H](C[C@@H]([NH3+])C4CCCC4)C3)C2=O)cn1 ZINC000872156670 1013157696 /nfs/dbraw/zinc/15/76/96/1013157696.db2.gz LABWEYFVPBJSEN-DBVUQKKJSA-N 1 3 373.545 2.535 20 0 FFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1 ZINC000969707761 959781600 /nfs/dbraw/zinc/78/16/00/959781600.db2.gz XGBLHNZXYKKFBO-TYCQWZJGSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC000969707761 959781608 /nfs/dbraw/zinc/78/16/08/959781608.db2.gz XGBLHNZXYKKFBO-TYCQWZJGSA-N 1 3 357.542 2.916 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000655353795 959805080 /nfs/dbraw/zinc/80/50/80/959805080.db2.gz WDMQXLRJQHBKHQ-RTWAWAEBSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000655353795 959805092 /nfs/dbraw/zinc/80/50/92/959805092.db2.gz WDMQXLRJQHBKHQ-RTWAWAEBSA-N 1 3 370.541 2.575 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000652367759 960388048 /nfs/dbraw/zinc/38/80/48/960388048.db2.gz OEWXXXWTWNOMNA-RXVVDRJESA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000652367759 960388060 /nfs/dbraw/zinc/38/80/60/960388060.db2.gz OEWXXXWTWNOMNA-RXVVDRJESA-N 1 3 370.541 2.634 20 0 FFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001104291720 962338553 /nfs/dbraw/zinc/33/85/53/962338553.db2.gz SCKXTAHNMBQXIO-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cs1 ZINC001104292343 962354913 /nfs/dbraw/zinc/35/49/13/962354913.db2.gz VVXBOEHUXPJQBK-ZMYBRWDISA-N 1 3 363.571 2.971 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccccc2O1 ZINC000649347394 1013363682 /nfs/dbraw/zinc/36/36/82/1013363682.db2.gz VBQSAOWHDMPRGX-QZTJIDSGSA-N 1 3 353.466 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)CC[N@@H+]1C ZINC001095438854 1013369846 /nfs/dbraw/zinc/36/98/46/1013369846.db2.gz NGNDUDZZVQRMCD-DBDQLMEASA-N 1 3 361.555 2.742 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)CC[N@H+]1C ZINC001095438854 1013369856 /nfs/dbraw/zinc/36/98/56/1013369856.db2.gz NGNDUDZZVQRMCD-DBDQLMEASA-N 1 3 361.555 2.742 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCN2C)c1 ZINC001087134840 963080870 /nfs/dbraw/zinc/08/08/70/963080870.db2.gz IBXHNUMSZDQMAS-IMFGXOCKSA-N 1 3 361.505 2.945 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)c(C)c2)CC1 ZINC000873299908 1013466811 /nfs/dbraw/zinc/46/68/11/1013466811.db2.gz NWAMCFHHNJYGCX-TZIWHRDSSA-N 1 3 371.529 2.543 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncc(C)c2)C1 ZINC001104362726 964083988 /nfs/dbraw/zinc/08/39/88/964083988.db2.gz GOGLDTHBQVWCTP-IEBWSBKVSA-N 1 3 360.546 2.695 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001104362917 964088077 /nfs/dbraw/zinc/08/80/77/964088077.db2.gz PJBZQRKCKRYYOQ-KZNAEPCWSA-N 1 3 367.578 2.606 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCc3ccccc3F)C2)CC[N@@H+]1C ZINC000971566630 964178411 /nfs/dbraw/zinc/17/84/11/964178411.db2.gz IBLTVDKPWPTUGV-WSTZPKSXSA-N 1 3 361.505 2.631 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCc3ccccc3F)C2)CC[N@H+]1C ZINC000971566630 964178416 /nfs/dbraw/zinc/17/84/16/964178416.db2.gz IBLTVDKPWPTUGV-WSTZPKSXSA-N 1 3 361.505 2.631 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2CCOCC2CCC2)CC[N@@H+]1C ZINC001266842197 964543392 /nfs/dbraw/zinc/54/33/92/964543392.db2.gz IZKHFECZAKEVEC-HSALFYBXSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2CCOCC2CCC2)CC[N@H+]1C ZINC001266842197 964543399 /nfs/dbraw/zinc/54/33/99/964543399.db2.gz IZKHFECZAKEVEC-HSALFYBXSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccccn2)CC[N@@H+]1C ZINC001087168618 964811558 /nfs/dbraw/zinc/81/15/58/964811558.db2.gz XIGOPKGYAFYFPM-BTHPGYMESA-N 1 3 358.530 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccccn2)CC[N@H+]1C ZINC001087168618 964811569 /nfs/dbraw/zinc/81/15/69/964811569.db2.gz XIGOPKGYAFYFPM-BTHPGYMESA-N 1 3 358.530 2.529 20 0 FFADHO CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000664674500 964919960 /nfs/dbraw/zinc/91/99/60/964919960.db2.gz QWRRUJLHVMZUEV-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000664674500 964919975 /nfs/dbraw/zinc/91/99/75/964919975.db2.gz QWRRUJLHVMZUEV-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001087467215 965062970 /nfs/dbraw/zinc/06/29/70/965062970.db2.gz KEOUQKSQCCKISL-SMMRIJLZSA-N 1 3 361.505 2.850 20 0 FFADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001087467215 965062982 /nfs/dbraw/zinc/06/29/82/965062982.db2.gz KEOUQKSQCCKISL-SMMRIJLZSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cc(F)ccc2OC)CC[N@@H+]1C ZINC001482290079 965119526 /nfs/dbraw/zinc/11/95/26/965119526.db2.gz YHTLBBKONRICLD-JCGIZDLHSA-N 1 3 365.493 2.501 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cc(F)ccc2OC)CC[N@H+]1C ZINC001482290079 965119532 /nfs/dbraw/zinc/11/95/32/965119532.db2.gz YHTLBBKONRICLD-JCGIZDLHSA-N 1 3 365.493 2.501 20 0 FFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087468972 965283291 /nfs/dbraw/zinc/28/32/91/965283291.db2.gz BHNNVYBFQPFLQJ-PWIZWCRZSA-N 1 3 361.505 2.852 20 0 FFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087468972 965283301 /nfs/dbraw/zinc/28/33/01/965283301.db2.gz BHNNVYBFQPFLQJ-PWIZWCRZSA-N 1 3 361.505 2.852 20 0 FFADHO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)CN(C)C(C)C)CC1 ZINC000647970131 966137059 /nfs/dbraw/zinc/13/70/59/966137059.db2.gz DORFCQAQDZPOON-SFHVURJKSA-N 1 3 358.530 2.937 20 0 FFADHO c1cc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n(-c2ccncc2)n1 ZINC000657351289 966254956 /nfs/dbraw/zinc/25/49/56/966254956.db2.gz ASFHNERBKVRGCR-FQEVSTJZSA-N 1 3 361.493 2.922 20 0 FFADHO c1cc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n(-c2ccncc2)n1 ZINC000657351289 966254963 /nfs/dbraw/zinc/25/49/63/966254963.db2.gz ASFHNERBKVRGCR-FQEVSTJZSA-N 1 3 361.493 2.922 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)cc1 ZINC000892211340 966283075 /nfs/dbraw/zinc/28/30/75/966283075.db2.gz WPPHUROMWFZCJD-HXUWFJFHSA-N 1 3 352.482 2.527 20 0 FFADHO CC(=O)Nc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593970 966938852 /nfs/dbraw/zinc/93/88/52/966938852.db2.gz DVWCJFAZLWPXJB-OAQYLSRUSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593970 966938847 /nfs/dbraw/zinc/93/88/47/966938847.db2.gz DVWCJFAZLWPXJB-OAQYLSRUSA-N 1 3 353.466 2.501 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075808849 967905235 /nfs/dbraw/zinc/90/52/35/967905235.db2.gz FTXVPKOMHOHWFH-MCYKXBRJSA-N 1 3 359.489 2.507 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075808849 967905241 /nfs/dbraw/zinc/90/52/41/967905241.db2.gz FTXVPKOMHOHWFH-MCYKXBRJSA-N 1 3 359.489 2.507 20 0 FFADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000665277201 967967976 /nfs/dbraw/zinc/96/79/76/967967976.db2.gz WNCMCWIUUKVOKR-NRSPTQNISA-N 1 3 357.542 2.645 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211615963 968027379 /nfs/dbraw/zinc/02/73/79/968027379.db2.gz OTMJGJZHVFRWGI-PWRODBHTSA-N 1 3 357.542 2.957 20 0 FFADHO COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000657866594 968107696 /nfs/dbraw/zinc/10/76/96/968107696.db2.gz DDKCNWZSOOYXIP-YADHBBJMSA-N 1 3 360.542 2.972 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000685453281 968226837 /nfs/dbraw/zinc/22/68/37/968226837.db2.gz HBWMDOQWFUEUHA-UHFFFAOYSA-N 1 3 368.525 2.982 20 0 FFADHO Cc1ncccc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000685569260 968311210 /nfs/dbraw/zinc/31/12/10/968311210.db2.gz VVZWSGVBHIGJQX-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000658144511 968551086 /nfs/dbraw/zinc/55/10/86/968551086.db2.gz MHSYNYDLXWHCKV-KXBFYZLASA-N 1 3 354.450 2.833 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000658144511 968551092 /nfs/dbraw/zinc/55/10/92/968551092.db2.gz MHSYNYDLXWHCKV-KXBFYZLASA-N 1 3 354.450 2.833 20 0 FFADHO C[C@@H]1C[C@H](NCCN2C[C@@H]3CCCCN3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000658309221 968643793 /nfs/dbraw/zinc/64/37/93/968643793.db2.gz OIQDZMZCNNZCFE-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@H](NCCN2C[C@@H]3CCCCN3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000658309221 968643799 /nfs/dbraw/zinc/64/37/99/968643799.db2.gz OIQDZMZCNNZCFE-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](CCN[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH+](C)C ZINC000895297535 969074127 /nfs/dbraw/zinc/07/41/27/969074127.db2.gz YKGZWLLQMQEUBC-LSDHHAIUSA-N 1 3 360.502 2.682 20 0 FFADHO C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N(C)C ZINC000895297535 969074137 /nfs/dbraw/zinc/07/41/37/969074137.db2.gz YKGZWLLQMQEUBC-LSDHHAIUSA-N 1 3 360.502 2.682 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000665355312 969075370 /nfs/dbraw/zinc/07/53/70/969075370.db2.gz PNLAOIVVJRLCRN-IBGZPJMESA-N 1 3 367.497 2.919 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000665355312 969075378 /nfs/dbraw/zinc/07/53/78/969075378.db2.gz PNLAOIVVJRLCRN-IBGZPJMESA-N 1 3 367.497 2.919 20 0 FFADHO C[N@H+](CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O)Cc1ccccc1 ZINC000177195079 969118503 /nfs/dbraw/zinc/11/85/03/969118503.db2.gz GNDIZYNTQMGJGR-HUUCEWRRSA-N 1 3 372.387 2.509 20 0 FFADHO C[N@@H+](CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O)Cc1ccccc1 ZINC000177195079 969118509 /nfs/dbraw/zinc/11/85/09/969118509.db2.gz GNDIZYNTQMGJGR-HUUCEWRRSA-N 1 3 372.387 2.509 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(OCC(N)=O)cc2)c1 ZINC000065976527 969190776 /nfs/dbraw/zinc/19/07/76/969190776.db2.gz BYXCQSJNRKAANT-UHFFFAOYSA-N 1 3 355.482 2.681 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(OCC(N)=O)cc2)c1 ZINC000065976527 969190778 /nfs/dbraw/zinc/19/07/78/969190778.db2.gz BYXCQSJNRKAANT-UHFFFAOYSA-N 1 3 355.482 2.681 20 0 FFADHO c1cc(-c2noc([C@@H]3CN4CCC[C@H]4CO3)n2)ccc1C[NH+]1CCCC1 ZINC000923781936 969325543 /nfs/dbraw/zinc/32/55/43/969325543.db2.gz FCSSMAXJLMVOGT-ROUUACIJSA-N 1 3 354.454 2.868 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033096 969650336 /nfs/dbraw/zinc/65/03/36/969650336.db2.gz HZNHYSTXECKISK-RBUKOAKNSA-N 1 3 360.502 2.734 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033096 969650340 /nfs/dbraw/zinc/65/03/40/969650340.db2.gz HZNHYSTXECKISK-RBUKOAKNSA-N 1 3 360.502 2.734 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659037849 969650685 /nfs/dbraw/zinc/65/06/85/969650685.db2.gz JXACCWWNQDXGHD-KVWWFHCMSA-N 1 3 360.502 2.589 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[C@@H](C)C1 ZINC000659040086 969654037 /nfs/dbraw/zinc/65/40/37/969654037.db2.gz MMZCZENQDMHTOZ-ZYSHUDEJSA-N 1 3 360.502 2.542 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[C@@H](C)C1 ZINC000659040086 969654042 /nfs/dbraw/zinc/65/40/42/969654042.db2.gz MMZCZENQDMHTOZ-ZYSHUDEJSA-N 1 3 360.502 2.542 20 0 FFADHO C[NH+](C)CCOc1ccc(CCNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659286999 969799196 /nfs/dbraw/zinc/79/91/96/969799196.db2.gz JECZLUSBCSDVKM-NRFANRHFSA-N 1 3 367.493 2.520 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N(C)Cc1ccccc1 ZINC000659454150 969943310 /nfs/dbraw/zinc/94/33/10/969943310.db2.gz XSLQGHVXZVZSMG-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N(C)Cc1ccccc1 ZINC000659453778 969944441 /nfs/dbraw/zinc/94/44/41/969944441.db2.gz QQHKFEIHLOUIIL-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000659456984 969950575 /nfs/dbraw/zinc/95/05/75/969950575.db2.gz VGYWZDOHCBUQAG-YZGWKJHDSA-N 1 3 358.530 2.982 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001104641705 970012191 /nfs/dbraw/zinc/01/21/91/970012191.db2.gz ZBEDZHHXVGHGTO-IIAWOOMASA-N 1 3 364.361 2.966 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001104680117 970082655 /nfs/dbraw/zinc/08/26/55/970082655.db2.gz PSRSWQDUHZWEGV-RBSFLKMASA-N 1 3 362.345 2.721 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001104676476 970084332 /nfs/dbraw/zinc/08/43/32/970084332.db2.gz LTPKLMNIESPXTK-ZHALLVOQSA-N 1 3 361.505 2.884 20 0 FFADHO CCc1ccc(CC[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001104732543 970188688 /nfs/dbraw/zinc/18/86/88/970188688.db2.gz XHMKOAWUAVVCTC-YLJYHZDGSA-N 1 3 368.525 2.832 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665364548 970384712 /nfs/dbraw/zinc/38/47/12/970384712.db2.gz RQPHUQDXLJKMMX-OALUTQOASA-N 1 3 358.530 2.775 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665364548 970384719 /nfs/dbraw/zinc/38/47/19/970384719.db2.gz RQPHUQDXLJKMMX-OALUTQOASA-N 1 3 358.530 2.775 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H](C)c4cccc(F)c4)C[C@H]32)CC[N@@H+]1C ZINC001025795125 970425414 /nfs/dbraw/zinc/42/54/14/970425414.db2.gz SBYOAYDNNRAVOP-BHPSNQOYSA-N 1 3 359.489 2.663 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H](C)c4cccc(F)c4)C[C@H]32)CC[N@H+]1C ZINC001025795125 970425419 /nfs/dbraw/zinc/42/54/19/970425419.db2.gz SBYOAYDNNRAVOP-BHPSNQOYSA-N 1 3 359.489 2.663 20 0 FFADHO COCCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000895347131 970435530 /nfs/dbraw/zinc/43/55/30/970435530.db2.gz DNNHAKBWYNEPKV-UHFFFAOYSA-N 1 3 359.470 2.702 20 0 FFADHO COc1ccc2nccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)c2c1 ZINC000892986703 970474558 /nfs/dbraw/zinc/47/45/58/970474558.db2.gz XOIVPCDXQFXDKZ-JWTNVVGKSA-N 1 3 366.509 2.991 20 0 FFADHO COc1ccc2nccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2c1 ZINC000892986703 970474566 /nfs/dbraw/zinc/47/45/66/970474566.db2.gz XOIVPCDXQFXDKZ-JWTNVVGKSA-N 1 3 366.509 2.991 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)c1 ZINC001088106306 972811571 /nfs/dbraw/zinc/81/15/71/972811571.db2.gz VEVFUOOWKWKHOU-TYPHKJRUSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)c1 ZINC001088106306 972811581 /nfs/dbraw/zinc/81/15/81/972811581.db2.gz VEVFUOOWKWKHOU-TYPHKJRUSA-N 1 3 355.526 2.760 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)cccc3C)CC[C@@H]2C1)N(C)C ZINC001088109416 972835102 /nfs/dbraw/zinc/83/51/02/972835102.db2.gz DMPKEOAKXZRZIR-DYXWJJEUSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3c(C)cccc3C)CC[C@@H]2C1)N(C)C ZINC001088109416 972835124 /nfs/dbraw/zinc/83/51/24/972835124.db2.gz DMPKEOAKXZRZIR-DYXWJJEUSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@@H]2C1)N(C)C ZINC001088109757 972841249 /nfs/dbraw/zinc/84/12/49/972841249.db2.gz XOAYLTDTGRFFIU-SQNIBIBYSA-N 1 3 371.516 2.932 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@@H]2C1)N(C)C ZINC001088109757 972841261 /nfs/dbraw/zinc/84/12/61/972841261.db2.gz XOAYLTDTGRFFIU-SQNIBIBYSA-N 1 3 371.516 2.932 20 0 FFADHO Cc1cncc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000875714518 1014066584 /nfs/dbraw/zinc/06/65/84/1014066584.db2.gz VNYPAELPEFZEAK-PKOBYXMFSA-N 1 3 361.534 2.509 20 0 FFADHO Cc1cncc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000875714518 1014066585 /nfs/dbraw/zinc/06/65/85/1014066585.db2.gz VNYPAELPEFZEAK-PKOBYXMFSA-N 1 3 361.534 2.509 20 0 FFADHO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC001088201578 973633262 /nfs/dbraw/zinc/63/32/62/973633262.db2.gz JFVZIRGPEUFQHJ-KURKYZTESA-N 1 3 359.489 2.763 20 0 FFADHO C[C@H](c1ccccc1F)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC001088201578 973633263 /nfs/dbraw/zinc/63/32/63/973633263.db2.gz JFVZIRGPEUFQHJ-KURKYZTESA-N 1 3 359.489 2.763 20 0 FFADHO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C1(NC2CC2)CCC1 ZINC000662758675 973967882 /nfs/dbraw/zinc/96/78/82/973967882.db2.gz RMTNTXIAUJZYIF-UHFFFAOYSA-N 1 3 368.525 2.832 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001027419533 974407936 /nfs/dbraw/zinc/40/79/36/974407936.db2.gz RTCKIZKVFXLCBD-SLFFLAALSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC001027419533 974407939 /nfs/dbraw/zinc/40/79/39/974407939.db2.gz RTCKIZKVFXLCBD-SLFFLAALSA-N 1 3 361.505 2.979 20 0 FFADHO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662881755 974459934 /nfs/dbraw/zinc/45/99/34/974459934.db2.gz BBHZLZFRTOOSHM-FQEVSTJZSA-N 1 3 369.465 2.540 20 0 FFADHO O=C(CC1CCCC1)N1CCCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662250815 975381005 /nfs/dbraw/zinc/38/10/05/975381005.db2.gz OQVGBICXTQAQOX-UHFFFAOYSA-N 1 3 355.526 2.947 20 0 FFADHO COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295572 975409457 /nfs/dbraw/zinc/40/94/57/975409457.db2.gz GWUWNQFYUDDEAE-MJGOQNOKSA-N 1 3 373.541 2.926 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297256 975413746 /nfs/dbraw/zinc/41/37/46/975413746.db2.gz OVCZGPLBQFRVEI-QAPCUYQASA-N 1 3 372.513 2.684 20 0 FFADHO COc1cccc([C@@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)N2CCCC2)c1 ZINC000662344664 975446633 /nfs/dbraw/zinc/44/66/33/975446633.db2.gz ZNBRZSVLUHPFSY-FXAWDEMLSA-N 1 3 361.530 2.959 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC000961856376 1014280219 /nfs/dbraw/zinc/28/02/19/1014280219.db2.gz KFOUBJZVEFPZDZ-JMRUKAPWSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC000961856376 1014280231 /nfs/dbraw/zinc/28/02/31/1014280231.db2.gz KFOUBJZVEFPZDZ-JMRUKAPWSA-N 1 3 365.468 2.680 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000663452167 975935720 /nfs/dbraw/zinc/93/57/20/975935720.db2.gz JJZMPXKCBGXJTQ-RTWAWAEBSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000663452167 975935727 /nfs/dbraw/zinc/93/57/27/975935727.db2.gz JJZMPXKCBGXJTQ-RTWAWAEBSA-N 1 3 370.541 2.682 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C)c1 ZINC001088769026 976065250 /nfs/dbraw/zinc/06/52/50/976065250.db2.gz OIMAALUNRGWHAM-QMMLZNLJSA-N 1 3 355.526 2.948 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)[C@H]2C)c1 ZINC001088769026 976065268 /nfs/dbraw/zinc/06/52/68/976065268.db2.gz OIMAALUNRGWHAM-QMMLZNLJSA-N 1 3 355.526 2.948 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)[C@H]2C)c1 ZINC001088769026 976065279 /nfs/dbraw/zinc/06/52/79/976065279.db2.gz OIMAALUNRGWHAM-QMMLZNLJSA-N 1 3 355.526 2.948 20 0 FFADHO Fc1ccc(/C=C\CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC000663512531 976094546 /nfs/dbraw/zinc/09/45/46/976094546.db2.gz OCKAXEMGPNNRBU-PFOXWKGBSA-N 1 3 369.488 2.851 20 0 FFADHO CO[C@H](C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C)C1CCCC1 ZINC001088792267 976313093 /nfs/dbraw/zinc/31/30/93/976313093.db2.gz DBKKZATUVPDCPT-NZSAHSFTSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@H](C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C)C1CCCC1 ZINC001088792267 976313099 /nfs/dbraw/zinc/31/30/99/976313099.db2.gz DBKKZATUVPDCPT-NZSAHSFTSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000663627174 976507652 /nfs/dbraw/zinc/50/76/52/976507652.db2.gz CJMLZKRYZQYDDY-VQTJNVASSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000663627174 976507660 /nfs/dbraw/zinc/50/76/60/976507660.db2.gz CJMLZKRYZQYDDY-VQTJNVASSA-N 1 3 358.530 2.559 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@]34CCCC[C@H]3C4(F)F)CC2)CC1 ZINC000667642060 976572675 /nfs/dbraw/zinc/57/26/75/976572675.db2.gz NEHRUVIHCYBUHP-IEBWSBKVSA-N 1 3 369.500 2.877 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000667796044 977055573 /nfs/dbraw/zinc/05/55/73/977055573.db2.gz YWWDTEXTWYISHE-UHFFFAOYSA-N 1 3 353.470 2.501 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000667796044 977055586 /nfs/dbraw/zinc/05/55/86/977055586.db2.gz YWWDTEXTWYISHE-UHFFFAOYSA-N 1 3 353.470 2.501 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000667800276 977062032 /nfs/dbraw/zinc/06/20/32/977062032.db2.gz BURSATDBKFLLMQ-UHFFFAOYSA-N 1 3 371.529 2.847 20 0 FFADHO C[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667802925 977072786 /nfs/dbraw/zinc/07/27/86/977072786.db2.gz BDEVLSVBKKFARF-HUUCEWRRSA-N 1 3 357.502 2.502 20 0 FFADHO C[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000667802925 977072796 /nfs/dbraw/zinc/07/27/96/977072796.db2.gz BDEVLSVBKKFARF-HUUCEWRRSA-N 1 3 357.502 2.502 20 0 FFADHO C[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000667803936 977074263 /nfs/dbraw/zinc/07/42/63/977074263.db2.gz SBDNVALNPJZLIU-KUHUBIRLSA-N 1 3 353.470 2.540 20 0 FFADHO CCCN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(C)C1 ZINC000645132030 977816856 /nfs/dbraw/zinc/81/68/56/977816856.db2.gz KVHZLHAKDWOYBW-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CC[N@H+](CCCNC(=O)Nc1ccnn1CCN(C)C)C1CCCCC1 ZINC000650231418 1014439807 /nfs/dbraw/zinc/43/98/07/1014439807.db2.gz OGEJRZSHSRNUIQ-UHFFFAOYSA-N 1 3 364.538 2.611 20 0 FFADHO CC[N@@H+](CCCNC(=O)Nc1ccnn1CCN(C)C)C1CCCCC1 ZINC000650231418 1014439812 /nfs/dbraw/zinc/43/98/12/1014439812.db2.gz OGEJRZSHSRNUIQ-UHFFFAOYSA-N 1 3 364.538 2.611 20 0 FFADHO c1ccc([C@@H]2C[C@H](NC[C@H]3COC4(CCOCC4)O3)CC[N@@H+]2C2CC2)cc1 ZINC000877143081 1014487441 /nfs/dbraw/zinc/48/74/41/1014487441.db2.gz ZWQARORQGAISBJ-GIVPXCGWSA-N 1 3 372.509 2.866 20 0 FFADHO c1ccc([C@@H]2C[C@H](NC[C@H]3COC4(CCOCC4)O3)CC[N@H+]2C2CC2)cc1 ZINC000877143081 1014487447 /nfs/dbraw/zinc/48/74/47/1014487447.db2.gz ZWQARORQGAISBJ-GIVPXCGWSA-N 1 3 372.509 2.866 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000653945364 1014500229 /nfs/dbraw/zinc/50/02/29/1014500229.db2.gz UJGFQGPLALNXAD-UHFFFAOYSA-N 1 3 362.518 2.965 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)CC1 ZINC001076206423 979224765 /nfs/dbraw/zinc/22/47/65/979224765.db2.gz NZEVPRXYRAWOCR-VQTJNVASSA-N 1 3 359.489 2.531 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]32)C1 ZINC001076244727 979278686 /nfs/dbraw/zinc/27/86/86/979278686.db2.gz WRGLQRHABRTVAF-QKLQHJQFSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1 ZINC001076244727 979278687 /nfs/dbraw/zinc/27/86/87/979278687.db2.gz WRGLQRHABRTVAF-QKLQHJQFSA-N 1 3 351.510 2.532 20 0 FFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076465522 979540968 /nfs/dbraw/zinc/54/09/68/979540968.db2.gz JGAOXGKJGCNZFU-YSIASYRMSA-N 1 3 371.500 2.905 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001168124762 979591761 /nfs/dbraw/zinc/59/17/61/979591761.db2.gz YNUDTFYYERTTEV-AZUAARDMSA-N 1 3 359.514 2.564 20 0 FFADHO CC(C)N1CCCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000668101345 979697503 /nfs/dbraw/zinc/69/75/03/979697503.db2.gz NVDFCYMNQHBJBS-OAQYLSRUSA-N 1 3 357.542 2.884 20 0 FFADHO CC(C)N1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000668101345 979697507 /nfs/dbraw/zinc/69/75/07/979697507.db2.gz NVDFCYMNQHBJBS-OAQYLSRUSA-N 1 3 357.542 2.884 20 0 FFADHO C[NH+](C)CCc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000668111702 979750014 /nfs/dbraw/zinc/75/00/14/979750014.db2.gz VDJNEIVARUZORE-HZPDHXFCSA-N 1 3 374.403 2.713 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)[C@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001272020783 979864191 /nfs/dbraw/zinc/86/41/91/979864191.db2.gz PQZVKIJWIANCTM-SXLOBPIMSA-N 1 3 361.505 2.934 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)[C@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001272020783 979864195 /nfs/dbraw/zinc/86/41/95/979864195.db2.gz PQZVKIJWIANCTM-SXLOBPIMSA-N 1 3 361.505 2.934 20 0 FFADHO O=C(NC[C@H]1CCN1Cc1ccccc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000666213821 980490330 /nfs/dbraw/zinc/49/03/30/980490330.db2.gz MQVONBNLEKYDAP-LJQANCHMSA-N 1 3 362.437 2.663 20 0 FFADHO c1cc2n(n1)C[C@@H](C[NH2+]C[C@@H]1CN(Cc3ccccc3)CC13CCC3)CN2 ZINC000668713418 981502005 /nfs/dbraw/zinc/50/20/05/981502005.db2.gz PCRMPHZVFHOPBW-VQTJNVASSA-N 1 3 365.525 2.817 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000654509798 1014740218 /nfs/dbraw/zinc/74/02/18/1014740218.db2.gz NONDYRMCJIBXLD-WCIQWLHISA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000654509798 1014740226 /nfs/dbraw/zinc/74/02/26/1014740226.db2.gz NONDYRMCJIBXLD-WCIQWLHISA-N 1 3 356.514 2.748 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897545089 982114620 /nfs/dbraw/zinc/11/46/20/982114620.db2.gz HHINIGFBQYCOBB-GOSISDBHSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897545089 982114622 /nfs/dbraw/zinc/11/46/22/982114622.db2.gz HHINIGFBQYCOBB-GOSISDBHSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897545833 982117247 /nfs/dbraw/zinc/11/72/47/982117247.db2.gz ULNFCSYCLQWKMT-SFHVURJKSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897545833 982117253 /nfs/dbraw/zinc/11/72/53/982117253.db2.gz ULNFCSYCLQWKMT-SFHVURJKSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654658326 1014825068 /nfs/dbraw/zinc/82/50/68/1014825068.db2.gz NWQLXLOXTNLKRG-BGYRXZFFSA-N 1 3 360.546 2.533 20 0 FFADHO C[NH+](C)C1CCC(N2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)CC1 ZINC001168319290 982869549 /nfs/dbraw/zinc/86/95/49/982869549.db2.gz QTCBXEJMQQBJFH-GZNCHQMQSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@H]1CN(Cc2c3c(ccc2Br)OCO3)CCC[C@H]1C[NH3+] ZINC001206011114 1032107242 /nfs/dbraw/zinc/10/72/42/1032107242.db2.gz ACZKNHZAPRDUTI-RYUDHWBXSA-N 1 3 355.276 2.985 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2)C1CC1 ZINC001107438537 984538585 /nfs/dbraw/zinc/53/85/85/984538585.db2.gz DPOKYGIFXKHNAC-HLLBOEOZSA-N 1 3 361.452 2.640 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2)C1CC1 ZINC001107438537 984538588 /nfs/dbraw/zinc/53/85/88/984538588.db2.gz DPOKYGIFXKHNAC-HLLBOEOZSA-N 1 3 361.452 2.640 20 0 FFADHO CC[C@@H](C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12)OC ZINC001107454340 984559393 /nfs/dbraw/zinc/55/93/93/984559393.db2.gz BQVNZEITZXJAMA-SQGPQFPESA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@@H](C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12)OC ZINC001107454340 984559397 /nfs/dbraw/zinc/55/93/97/984559397.db2.gz BQVNZEITZXJAMA-SQGPQFPESA-N 1 3 353.551 2.503 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764642546 984605929 /nfs/dbraw/zinc/60/59/29/984605929.db2.gz YBTPLAALRRZGDU-UNMCSNQZSA-N 1 3 359.558 2.988 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000669483556 984650365 /nfs/dbraw/zinc/65/03/65/984650365.db2.gz BAQLWVYKMUCYLN-XUVXKRRUSA-N 1 3 356.514 2.607 20 0 FFADHO Cc1cccnc1C[N@@H+]1CC[C@@]2(CNC(=O)CN3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546865 984673029 /nfs/dbraw/zinc/67/30/29/984673029.db2.gz RMLMZPQOFGKJDC-NQSCKRDGSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1cccnc1C[N@H+]1CC[C@@]2(CNC(=O)CN3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546865 984673031 /nfs/dbraw/zinc/67/30/31/984673031.db2.gz RMLMZPQOFGKJDC-NQSCKRDGSA-N 1 3 370.541 2.593 20 0 FFADHO CCO[C@H](C[N@@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12)C1CC1 ZINC001107581735 984742648 /nfs/dbraw/zinc/74/26/48/984742648.db2.gz KQJUQPMNRKMROF-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CCO[C@H](C[N@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12)C1CC1 ZINC001107581735 984742656 /nfs/dbraw/zinc/74/26/56/984742656.db2.gz KQJUQPMNRKMROF-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000669545919 984760012 /nfs/dbraw/zinc/76/00/12/984760012.db2.gz YKDWJBWLPZUBTC-UXHICEINSA-N 1 3 352.482 2.602 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC1CCC1)CC2 ZINC001107617257 984837606 /nfs/dbraw/zinc/83/76/06/984837606.db2.gz AXVZCOSQPJONSB-TZIWHRDSSA-N 1 3 365.562 2.506 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC1CCC1)CC2 ZINC001107617257 984837620 /nfs/dbraw/zinc/83/76/20/984837620.db2.gz AXVZCOSQPJONSB-TZIWHRDSSA-N 1 3 365.562 2.506 20 0 FFADHO CO[C@@H](C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12)C1CCC1 ZINC001107646139 984936861 /nfs/dbraw/zinc/93/68/61/984936861.db2.gz DXARBADJBWQQQM-QKNQBKEWSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H](C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12)C1CCC1 ZINC001107646139 984936871 /nfs/dbraw/zinc/93/68/71/984936871.db2.gz DXARBADJBWQQQM-QKNQBKEWSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000997097629 985123692 /nfs/dbraw/zinc/12/36/92/985123692.db2.gz MDGGONQGMPRIFZ-JXXFODFXSA-N 1 3 361.505 2.883 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000997097629 985123698 /nfs/dbraw/zinc/12/36/98/985123698.db2.gz MDGGONQGMPRIFZ-JXXFODFXSA-N 1 3 361.505 2.883 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000997093585 985126894 /nfs/dbraw/zinc/12/68/94/985126894.db2.gz LFJVTMPGBSEOFF-LSTHTHJFSA-N 1 3 358.530 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CCN(Cc3ccccn3)CC2)CC[N@H+]1C ZINC000997093585 985126900 /nfs/dbraw/zinc/12/69/00/985126900.db2.gz LFJVTMPGBSEOFF-LSTHTHJFSA-N 1 3 358.530 2.529 20 0 FFADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765660785 985277434 /nfs/dbraw/zinc/27/74/34/985277434.db2.gz DGPKJKOZSTVZKZ-OAQYLSRUSA-N 1 3 372.557 2.819 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCCN(Cc2ccccn2)CC1 ZINC000998015979 985887859 /nfs/dbraw/zinc/88/78/59/985887859.db2.gz HBHMSQVYYKWULV-YZGWKJHDSA-N 1 3 358.530 2.625 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCCN(Cc2ccccn2)CC1 ZINC000998015979 985887867 /nfs/dbraw/zinc/88/78/67/985887867.db2.gz HBHMSQVYYKWULV-YZGWKJHDSA-N 1 3 358.530 2.625 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000418202101 986170533 /nfs/dbraw/zinc/17/05/33/986170533.db2.gz INJSNHGOJWYJGL-LNLFQRSKSA-N 1 3 362.518 2.646 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC000998791178 986252956 /nfs/dbraw/zinc/25/29/56/986252956.db2.gz JGVLPNAIWBRLJG-QQGUTBHFSA-N 1 3 361.505 2.943 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC000998791178 986252968 /nfs/dbraw/zinc/25/29/68/986252968.db2.gz JGVLPNAIWBRLJG-QQGUTBHFSA-N 1 3 361.505 2.943 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCF)C1 ZINC001112540056 986423979 /nfs/dbraw/zinc/42/39/79/986423979.db2.gz CRVWEISRXYWRAL-NSHGMRRFSA-N 1 3 353.526 2.827 20 0 FFADHO CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540468 986519200 /nfs/dbraw/zinc/51/92/00/986519200.db2.gz YJDYWBDQLKZABX-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO C(=C\C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)\CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000255206851 987537326 /nfs/dbraw/zinc/53/73/26/987537326.db2.gz TYKQHPGQFFDPQA-QHNPVBQMSA-N 1 3 354.502 2.748 20 0 FFADHO C(=C\C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)\CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000255206851 987537330 /nfs/dbraw/zinc/53/73/30/987537330.db2.gz TYKQHPGQFFDPQA-QHNPVBQMSA-N 1 3 354.502 2.748 20 0 FFADHO COc1cccc([C@@H](C)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001002860677 987546624 /nfs/dbraw/zinc/54/66/24/987546624.db2.gz POUWUFCWLWXIFD-JXXFODFXSA-N 1 3 359.514 2.677 20 0 FFADHO COc1cccc([C@@H](C)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001002860677 987546628 /nfs/dbraw/zinc/54/66/28/987546628.db2.gz POUWUFCWLWXIFD-JXXFODFXSA-N 1 3 359.514 2.677 20 0 FFADHO O=c1[nH]c2cccc(CNCC3(O)CC[NH+](Cc4ccccc4)CC3)c2o1 ZINC000922187076 988058832 /nfs/dbraw/zinc/05/88/32/988058832.db2.gz YNJMAQAOEJEMTE-UHFFFAOYSA-N 1 3 367.449 2.650 20 0 FFADHO C[C@H](CN[C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C[NH+]1CCCCC1 ZINC000699665422 988562707 /nfs/dbraw/zinc/56/27/07/988562707.db2.gz NOPXYIBUZXEGBL-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CN1CCCCC1 ZINC000699665422 988562719 /nfs/dbraw/zinc/56/27/19/988562719.db2.gz NOPXYIBUZXEGBL-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106665757 988607905 /nfs/dbraw/zinc/60/79/05/988607905.db2.gz ASQZPLQVQHWNCE-HLIPFELVSA-N 1 3 353.526 2.849 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C(F)F)cc3)C2)CC[N@@H+]1C ZINC001033092301 988775993 /nfs/dbraw/zinc/77/59/93/988775993.db2.gz RBHDQXNFCOGGSW-ZTFGCOKTSA-N 1 3 365.468 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C(F)F)cc3)C2)CC[N@H+]1C ZINC001033092301 988776002 /nfs/dbraw/zinc/77/60/02/988776002.db2.gz RBHDQXNFCOGGSW-ZTFGCOKTSA-N 1 3 365.468 2.997 20 0 FFADHO COCC[N@H+](C)C[C@@H](O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001168499791 988949431 /nfs/dbraw/zinc/94/94/31/988949431.db2.gz YLFWTLNGUJLOQL-DLBZAZTESA-N 1 3 362.436 2.931 20 0 FFADHO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001168499791 988949436 /nfs/dbraw/zinc/94/94/36/988949436.db2.gz YLFWTLNGUJLOQL-DLBZAZTESA-N 1 3 362.436 2.931 20 0 FFADHO COc1ccccc1CNC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247477 1015436825 /nfs/dbraw/zinc/43/68/25/1015436825.db2.gz BIWCGVQRLFBHTR-KRWDZBQOSA-N 1 3 359.514 2.508 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700802362 989670880 /nfs/dbraw/zinc/67/08/80/989670880.db2.gz HRJNLXBCTPRNMB-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO COc1cc(F)c([C@H](C)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000675872819 990402993 /nfs/dbraw/zinc/40/29/93/990402993.db2.gz JTENFOXOWMBMOJ-GJZGRUSLSA-N 1 3 365.493 2.662 20 0 FFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455851 991151480 /nfs/dbraw/zinc/15/14/80/991151480.db2.gz VLLDHGOALFDEDN-HXUWFJFHSA-N 1 3 373.541 2.563 20 0 FFADHO CC(C)CN(Cc1nc2ccccc2c(=O)n1C)CC1CC[NH+](C)CC1 ZINC000879704609 1015647169 /nfs/dbraw/zinc/64/71/69/1015647169.db2.gz PZJHVVUKDLXUDC-UHFFFAOYSA-N 1 3 356.514 2.733 20 0 FFADHO O[C@@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000382172658 991876218 /nfs/dbraw/zinc/87/62/18/991876218.db2.gz QQOXRJKSHGBTIR-SFTDATJTSA-N 1 3 354.494 2.928 20 0 FFADHO O[C@@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000382172658 991876228 /nfs/dbraw/zinc/87/62/28/991876228.db2.gz QQOXRJKSHGBTIR-SFTDATJTSA-N 1 3 354.494 2.928 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]C(C)C)C1 ZINC001079210787 991890228 /nfs/dbraw/zinc/89/02/28/991890228.db2.gz ARQCHEQYPJCFCC-XUVXKRRUSA-N 1 3 361.505 2.993 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079182695 991891053 /nfs/dbraw/zinc/89/10/53/991891053.db2.gz XBWNPBPAYOYOBU-XUVXKRRUSA-N 1 3 361.505 2.991 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)ccc1OC ZINC000182440125 992048272 /nfs/dbraw/zinc/04/82/72/992048272.db2.gz YRHDCRMDIJUXSK-ROUUACIJSA-N 1 3 363.546 2.908 20 0 FFADHO C[C@H](CCN1CCC[C@@H](c2ncc[nH]2)C1)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269332617 992055636 /nfs/dbraw/zinc/05/56/36/992055636.db2.gz SJLRMAMJZFSRGQ-KURKYZTESA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CCN1CCC[C@@H](c2ncc[nH]2)C1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269332617 992055644 /nfs/dbraw/zinc/05/56/44/992055644.db2.gz SJLRMAMJZFSRGQ-KURKYZTESA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000269332617 992055653 /nfs/dbraw/zinc/05/56/53/992055653.db2.gz SJLRMAMJZFSRGQ-KURKYZTESA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000269332617 992055664 /nfs/dbraw/zinc/05/56/64/992055664.db2.gz SJLRMAMJZFSRGQ-KURKYZTESA-N 1 3 356.518 2.970 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001079805352 992458609 /nfs/dbraw/zinc/45/86/09/992458609.db2.gz NRKQAWARBYXJTK-YHYVQYDKSA-N 1 3 369.553 2.986 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001079805352 992458613 /nfs/dbraw/zinc/45/86/13/992458613.db2.gz NRKQAWARBYXJTK-YHYVQYDKSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC001079847491 992528220 /nfs/dbraw/zinc/52/82/20/992528220.db2.gz IEZNGWHOQCHZNJ-BHIYHBOVSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC001079847491 992528226 /nfs/dbraw/zinc/52/82/26/992528226.db2.gz IEZNGWHOQCHZNJ-BHIYHBOVSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC001085196948 992705178 /nfs/dbraw/zinc/70/51/78/992705178.db2.gz WEJUPZMFYBNADL-BRWVUGGUSA-N 1 3 350.532 2.533 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414929537 992774770 /nfs/dbraw/zinc/77/47/70/992774770.db2.gz RSUKYOCOFHWOBQ-SIIHOXLZSA-N 1 3 358.486 2.612 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCCC1 ZINC001080554063 993159819 /nfs/dbraw/zinc/15/98/19/993159819.db2.gz ALIPQRZDDVFQET-HLLBOEOZSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCCC1 ZINC001080554063 993159821 /nfs/dbraw/zinc/15/98/21/993159821.db2.gz ALIPQRZDDVFQET-HLLBOEOZSA-N 1 3 357.489 2.733 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC2CC2)CC1 ZINC001131522528 994364229 /nfs/dbraw/zinc/36/42/29/994364229.db2.gz LZBZGNRVOXHJPA-MOPGFXCFSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001082511674 994757866 /nfs/dbraw/zinc/75/78/66/994757866.db2.gz JYDJLKGVZNKXGA-IEBWSBKVSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001082512183 994760913 /nfs/dbraw/zinc/76/09/13/994760913.db2.gz PKABMCNHOMZEGL-KZNAEPCWSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520705 994811819 /nfs/dbraw/zinc/81/18/19/994811819.db2.gz OKUSOWKPVKLIPP-HNBVOPMISA-N 1 3 373.541 2.751 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520705 994811832 /nfs/dbraw/zinc/81/18/32/994811832.db2.gz OKUSOWKPVKLIPP-HNBVOPMISA-N 1 3 373.541 2.751 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001082557413 994928248 /nfs/dbraw/zinc/92/82/48/994928248.db2.gz CDWQBKJNWMBRKZ-CXAGYDPISA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1sccc1Cl ZINC001082617445 995082312 /nfs/dbraw/zinc/08/23/12/995082312.db2.gz UWUCPWFXMKXBBE-UKRRQHHQSA-N 1 3 367.946 2.966 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C)sn1 ZINC001082612383 995088126 /nfs/dbraw/zinc/08/81/26/995088126.db2.gz KXJXMOKOTZNUHD-ZTFGCOKTSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C)sn1 ZINC001082612383 995088132 /nfs/dbraw/zinc/08/81/32/995088132.db2.gz KXJXMOKOTZNUHD-ZTFGCOKTSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086695639 995156061 /nfs/dbraw/zinc/15/60/61/995156061.db2.gz ZQBNPMIHHWVBAO-DFQSSKMNSA-N 1 3 358.530 2.637 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC(C)C)CC[N@@H+]1C ZINC001054040787 1015928214 /nfs/dbraw/zinc/92/82/14/1015928214.db2.gz AANASXIOUQZERX-QHAWAJNXSA-N 1 3 357.542 2.916 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC(C)C)CC[N@H+]1C ZINC001054040787 1015928222 /nfs/dbraw/zinc/92/82/22/1015928222.db2.gz AANASXIOUQZERX-QHAWAJNXSA-N 1 3 357.542 2.916 20 0 FFADHO C[C@@H]1CN(CC(=O)NCc2ccccc2OC2CCCC2)C[C@H]1CC[NH3+] ZINC000903497063 1015934267 /nfs/dbraw/zinc/93/42/67/1015934267.db2.gz OTTTWIWRUMWWCA-SJLPKXTDSA-N 1 3 359.514 2.541 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2sccc2Cl)C1)[NH+](C)C ZINC001082724063 995360389 /nfs/dbraw/zinc/36/03/89/995360389.db2.gz CNCKYISIDSFAMT-XNRPHZJLSA-N 1 3 357.951 2.924 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001082740902 995395690 /nfs/dbraw/zinc/39/56/90/995395690.db2.gz JSJUTWWYWWPZQF-LLGFUMIMSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001082741878 995398592 /nfs/dbraw/zinc/39/85/92/995398592.db2.gz HJLHQFUGHGFZSA-PMUMKWKESA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc4cccnc43)C2)C1 ZINC001082742186 995400156 /nfs/dbraw/zinc/40/01/56/995400156.db2.gz UUGPWSXQDIRZLY-MBOZVWFJSA-N 1 3 366.509 2.513 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccccc1OC1CC1 ZINC001082861958 995666378 /nfs/dbraw/zinc/66/63/78/995666378.db2.gz UIUZIDBKSDZDDR-MBOZVWFJSA-N 1 3 371.525 2.506 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccccc1OC1CC1 ZINC001082861958 995666385 /nfs/dbraw/zinc/66/63/85/995666385.db2.gz UIUZIDBKSDZDDR-MBOZVWFJSA-N 1 3 371.525 2.506 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001082941298 995868205 /nfs/dbraw/zinc/86/82/05/995868205.db2.gz FCHPYZWXIIWXEV-RDTXWAMCSA-N 1 3 365.468 2.844 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1)[NH+]1CCCC1 ZINC001082943787 995882917 /nfs/dbraw/zinc/88/29/17/995882917.db2.gz DLZJAJQOYCAYPK-NSISKUIASA-N 1 3 361.505 2.883 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2cccnc2C)CC[N@@H+]1C ZINC001049479578 1016002306 /nfs/dbraw/zinc/00/23/06/1016002306.db2.gz AWZPDITYFOTBSB-DOIPELPJSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2cccnc2C)CC[N@H+]1C ZINC001049479578 1016002315 /nfs/dbraw/zinc/00/23/15/1016002315.db2.gz AWZPDITYFOTBSB-DOIPELPJSA-N 1 3 370.541 2.686 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000679337068 1016010230 /nfs/dbraw/zinc/01/02/30/1016010230.db2.gz JWXIHYMQDZQGNA-QFBILLFUSA-N 1 3 360.502 2.575 20 0 FFADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084603641 996709033 /nfs/dbraw/zinc/70/90/33/996709033.db2.gz CBSQOJPZGGQGIK-BHIYHBOVSA-N 1 3 351.510 2.676 20 0 FFADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084603641 996709042 /nfs/dbraw/zinc/70/90/42/996709042.db2.gz CBSQOJPZGGQGIK-BHIYHBOVSA-N 1 3 351.510 2.676 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000824081431 996791184 /nfs/dbraw/zinc/79/11/84/996791184.db2.gz WHWNDHDDJYWDEE-NQIIRXRSSA-N 1 3 374.525 2.594 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000677053731 1016089400 /nfs/dbraw/zinc/08/94/00/1016089400.db2.gz KOEICMRCJFZJFM-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000677053731 1016089411 /nfs/dbraw/zinc/08/94/11/1016089411.db2.gz KOEICMRCJFZJFM-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc5c(c4)CCC5)C[C@H]32)C1 ZINC001084773566 997297335 /nfs/dbraw/zinc/29/73/35/997297335.db2.gz UVYAXJFFVOMJLK-VLCRHTCISA-N 1 3 367.537 2.550 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc5c(c4)CCC5)C[C@H]32)C1 ZINC001084773566 997297346 /nfs/dbraw/zinc/29/73/46/997297346.db2.gz UVYAXJFFVOMJLK-VLCRHTCISA-N 1 3 367.537 2.550 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000844191987 997701211 /nfs/dbraw/zinc/70/12/11/997701211.db2.gz XOWVWWZIXMNIPO-AHRSYUTCSA-N 1 3 356.514 2.688 20 0 FFADHO Cc1c(O)cccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001144112925 998028437 /nfs/dbraw/zinc/02/84/37/998028437.db2.gz PKEMTJAHXAXONF-WOJBJXKFSA-N 1 3 371.525 2.608 20 0 FFADHO O=C(c1ccn(-c2ccncc2)n1)N1CC[C@H]2CC[N@@H+](C/C=C\Cl)[C@H]2C1 ZINC001084986894 998559289 /nfs/dbraw/zinc/55/92/89/998559289.db2.gz BXENBQSDBVHRPR-PBVOMVNDSA-N 1 3 371.872 2.556 20 0 FFADHO O=C(c1ccn(-c2ccncc2)n1)N1CC[C@H]2CC[N@H+](C/C=C\Cl)[C@H]2C1 ZINC001084986894 998559297 /nfs/dbraw/zinc/55/92/97/998559297.db2.gz BXENBQSDBVHRPR-PBVOMVNDSA-N 1 3 371.872 2.556 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)cc1F ZINC001085093149 998925476 /nfs/dbraw/zinc/92/54/76/998925476.db2.gz JGZPQSWEGSOEMT-GGPKGHCWSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)cc1F ZINC001085093149 998925478 /nfs/dbraw/zinc/92/54/78/998925478.db2.gz JGZPQSWEGSOEMT-GGPKGHCWSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100501 998944959 /nfs/dbraw/zinc/94/49/59/998944959.db2.gz HNPBQLQGDKIVOZ-CTNGQTDRSA-N 1 3 370.541 2.689 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(CCc3ccc(O)cc3)CC2)cnn1C ZINC000903879011 1016282376 /nfs/dbraw/zinc/28/23/76/1016282376.db2.gz PKEXCPPMJUVIDI-FQEVSTJZSA-N 1 3 370.541 2.896 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085217424 999184587 /nfs/dbraw/zinc/18/45/87/999184587.db2.gz AVUQRCNFYPTWSC-ZACQAIPSSA-N 1 3 350.532 2.535 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085217424 999184589 /nfs/dbraw/zinc/18/45/89/999184589.db2.gz AVUQRCNFYPTWSC-ZACQAIPSSA-N 1 3 350.532 2.535 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085224821 999194201 /nfs/dbraw/zinc/19/42/01/999194201.db2.gz XBNPBWKULKHBGU-KBAYOESNSA-N 1 3 364.559 2.638 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085224821 999194203 /nfs/dbraw/zinc/19/42/03/999194203.db2.gz XBNPBWKULKHBGU-KBAYOESNSA-N 1 3 364.559 2.638 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)c2F)C1 ZINC001085422024 999496643 /nfs/dbraw/zinc/49/66/43/999496643.db2.gz FLPLIXBXIDMFDW-USXIJHARSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)c2F)C1 ZINC001085422024 999496650 /nfs/dbraw/zinc/49/66/50/999496650.db2.gz FLPLIXBXIDMFDW-USXIJHARSA-N 1 3 367.896 2.948 20 0 FFADHO COCCN(Cc1ccc(C)c(C)c1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903959666 1016333560 /nfs/dbraw/zinc/33/35/60/1016333560.db2.gz LZCLZNYUNNIERQ-HXUWFJFHSA-N 1 3 358.530 2.611 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000740770746 999683348 /nfs/dbraw/zinc/68/33/48/999683348.db2.gz IYFFARLKKLHRGR-ICSRJNTNSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000740770746 999683350 /nfs/dbraw/zinc/68/33/50/999683350.db2.gz IYFFARLKKLHRGR-ICSRJNTNSA-N 1 3 374.598 2.942 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000742186476 999763436 /nfs/dbraw/zinc/76/34/36/999763436.db2.gz BSJPBLODTYWBLE-GOSISDBHSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001086370192 999874075 /nfs/dbraw/zinc/87/40/75/999874075.db2.gz VJDPFLGUIJMYIQ-OOVXDXFJSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001086370192 999874076 /nfs/dbraw/zinc/87/40/76/999874076.db2.gz VJDPFLGUIJMYIQ-OOVXDXFJSA-N 1 3 365.468 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3cnc(Cl)s3)C2)CC[N@@H+]1C ZINC001086371218 999875977 /nfs/dbraw/zinc/87/59/77/999875977.db2.gz WPUSZFHOWGXFRV-NZBPQXDJSA-N 1 3 370.950 2.511 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3cnc(Cl)s3)C2)CC[N@H+]1C ZINC001086371218 999875978 /nfs/dbraw/zinc/87/59/78/999875978.db2.gz WPUSZFHOWGXFRV-NZBPQXDJSA-N 1 3 370.950 2.511 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C2 ZINC001169100032 1000020551 /nfs/dbraw/zinc/02/05/51/1000020551.db2.gz ZTJGXJCTAGZPFT-XQLPTFJDSA-N 1 3 359.461 2.846 20 0 FFADHO Cc1cc(=O)oc2cc(NC(=O)CCN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc12 ZINC001169110059 1000025754 /nfs/dbraw/zinc/02/57/54/1000025754.db2.gz KFAXSTZNNAELBJ-BJWYYQGGSA-N 1 3 369.465 2.645 20 0 FFADHO Cc1cc(=O)oc2cc(NC(=O)CCN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc12 ZINC001169110059 1000025757 /nfs/dbraw/zinc/02/57/57/1000025757.db2.gz KFAXSTZNNAELBJ-BJWYYQGGSA-N 1 3 369.465 2.645 20 0 FFADHO CC[NH+]1CCC(N2CCC3(C[C@H](N(C)Cc4ccco4)CO3)CC2)CC1 ZINC001169253336 1000035019 /nfs/dbraw/zinc/03/50/19/1000035019.db2.gz CBSQAPNAPAMWSY-IBGZPJMESA-N 1 3 361.530 2.819 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CO1 ZINC001169409316 1000044490 /nfs/dbraw/zinc/04/44/90/1000044490.db2.gz GXMPQZLNQHSBEU-UXHICEINSA-N 1 3 372.509 2.695 20 0 FFADHO CC1(C)CC([NH2+]C2CCN(CC3CCOCC3)CC2)CC(C)(C)N1O ZINC001169984246 1000184095 /nfs/dbraw/zinc/18/40/95/1000184095.db2.gz GFGYEAIFEJXPLQ-UHFFFAOYSA-N 1 3 353.551 2.878 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000846202573 1000229961 /nfs/dbraw/zinc/22/99/61/1000229961.db2.gz HBWLJMBABYUMJX-UHFFFAOYSA-N 1 3 372.488 2.600 20 0 FFADHO CSc1ccc(CN2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)s1 ZINC001276146911 1016409880 /nfs/dbraw/zinc/40/98/80/1016409880.db2.gz YCZXXDNDQFWZRI-SFHVURJKSA-N 1 3 367.584 2.989 20 0 FFADHO CC(=O)N1CCC(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000770352550 1000765986 /nfs/dbraw/zinc/76/59/86/1000765986.db2.gz OYKMCDIJDYDOIX-IFMALSPDSA-N 1 3 355.526 2.984 20 0 FFADHO CC(=O)N1CCC(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000770352550 1000765990 /nfs/dbraw/zinc/76/59/90/1000765990.db2.gz OYKMCDIJDYDOIX-IFMALSPDSA-N 1 3 355.526 2.984 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCOC)N(CC)CC ZINC001109714550 1000896230 /nfs/dbraw/zinc/89/62/30/1000896230.db2.gz OHFQGHJQSLEYJZ-HCXYKTFWSA-N 1 3 353.551 2.645 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCOC)N(CC)CC ZINC001109714550 1000896236 /nfs/dbraw/zinc/89/62/36/1000896236.db2.gz OHFQGHJQSLEYJZ-HCXYKTFWSA-N 1 3 353.551 2.645 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C(C)C)C[C@]3(C)C2)c1 ZINC001091664542 1000983810 /nfs/dbraw/zinc/98/38/10/1000983810.db2.gz RVGUDFCASUCQFE-SJBKTWHCSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C(C)C)C[C@]3(C)C2)c1 ZINC001091664542 1000983817 /nfs/dbraw/zinc/98/38/17/1000983817.db2.gz RVGUDFCASUCQFE-SJBKTWHCSA-N 1 3 370.541 2.543 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001091673082 1001034709 /nfs/dbraw/zinc/03/47/09/1001034709.db2.gz YMBACWGEAYAEGT-KNQAVFIVSA-N 1 3 370.541 2.626 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCOC)C1 ZINC001112546975 1001450339 /nfs/dbraw/zinc/45/03/39/1001450339.db2.gz OBGNUBSDVWUWMY-FPOVZHCZSA-N 1 3 367.578 2.753 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2cscn2)C1 ZINC001112567592 1001498346 /nfs/dbraw/zinc/49/83/46/1001498346.db2.gz XXQQDFSJTBLCFI-LPHOPBHVSA-N 1 3 364.559 2.593 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2cscn2)C1 ZINC001112567592 1001498347 /nfs/dbraw/zinc/49/83/47/1001498347.db2.gz XXQQDFSJTBLCFI-LPHOPBHVSA-N 1 3 364.559 2.593 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]CC[C@@H]2COc3ccccc3O2)CC1 ZINC001182434774 1001866623 /nfs/dbraw/zinc/86/66/23/1001866623.db2.gz QGIQOTUZZWMIJM-IDYZSHNDSA-N 1 3 360.498 2.840 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c1 ZINC001092013456 1002288004 /nfs/dbraw/zinc/28/80/04/1002288004.db2.gz RAAYSGFBRAQFCX-ZEYPLWLESA-N 1 3 369.553 2.871 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c1 ZINC001092013456 1002288012 /nfs/dbraw/zinc/28/80/12/1002288012.db2.gz RAAYSGFBRAQFCX-ZEYPLWLESA-N 1 3 369.553 2.871 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001183556289 1002306544 /nfs/dbraw/zinc/30/65/44/1002306544.db2.gz DKRQMUGUGLTXCT-ICSRJNTNSA-N 1 3 355.526 2.984 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092187814 1002480109 /nfs/dbraw/zinc/48/01/09/1002480109.db2.gz ACHJJKMZNPMTCO-SBHAEUEKSA-N 1 3 365.537 2.637 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCN(C(=O)OCc4ccccc4)C3)[C@@H]2C1 ZINC001184389067 1002584994 /nfs/dbraw/zinc/58/49/94/1002584994.db2.gz UMZMNQWTSWVVGS-HAGHYFMRSA-N 1 3 357.498 2.717 20 0 FFADHO Cc1cc(F)ccc1CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001420095 1016794048 /nfs/dbraw/zinc/79/40/48/1016794048.db2.gz FOFVTKWZNYPIKJ-OXQOHEQNSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(F)ccc1CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001420095 1016794058 /nfs/dbraw/zinc/79/40/58/1016794058.db2.gz FOFVTKWZNYPIKJ-OXQOHEQNSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001092854469 1003672531 /nfs/dbraw/zinc/67/25/31/1003672531.db2.gz LUZRPOGGVOBCSN-ZQMLZLLSSA-N 1 3 363.933 2.841 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001196696428 1003916961 /nfs/dbraw/zinc/91/69/61/1003916961.db2.gz FVHNPCXSRSGSKN-LJQANCHMSA-N 1 3 362.587 2.847 20 0 FFADHO [NH3+]C[C@]1(F)CCCN(Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001205570625 1003950303 /nfs/dbraw/zinc/95/03/03/1003950303.db2.gz MMEFPQLSAGKYCF-HNNXBMFYSA-N 1 3 355.255 2.978 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncnn4cccc34)c3ccccc23)CC1 ZINC001170527911 1004628499 /nfs/dbraw/zinc/62/84/99/1004628499.db2.gz CVTIJNGTOBVKEO-UHFFFAOYSA-N 1 3 360.465 2.639 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cn4ccnc4cn3)c3ccccc23)CC1 ZINC001170527757 1004635634 /nfs/dbraw/zinc/63/56/34/1004635634.db2.gz ALUZTVZAIDRKTA-UHFFFAOYSA-N 1 3 360.465 2.639 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc2nccn21 ZINC001201632913 1005238083 /nfs/dbraw/zinc/23/80/83/1005238083.db2.gz DWJWUBLIEIPUCW-FQEVSTJZSA-N 1 3 350.466 2.581 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc2nccn21 ZINC001201632913 1005238085 /nfs/dbraw/zinc/23/80/85/1005238085.db2.gz DWJWUBLIEIPUCW-FQEVSTJZSA-N 1 3 350.466 2.581 20 0 FFADHO Cc1cccn2c(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cnc12 ZINC001201633496 1005238641 /nfs/dbraw/zinc/23/86/41/1005238641.db2.gz JXRDHQQTMHEGQU-HXUWFJFHSA-N 1 3 364.493 2.889 20 0 FFADHO Cc1cccn2c(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cnc12 ZINC001201633496 1005238645 /nfs/dbraw/zinc/23/86/45/1005238645.db2.gz JXRDHQQTMHEGQU-HXUWFJFHSA-N 1 3 364.493 2.889 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001097063631 1016963042 /nfs/dbraw/zinc/96/30/42/1016963042.db2.gz OQIDKTOAFPUEAA-MXEMCNAFSA-N 1 3 355.526 2.823 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001097063631 1016963054 /nfs/dbraw/zinc/96/30/54/1016963054.db2.gz OQIDKTOAFPUEAA-MXEMCNAFSA-N 1 3 355.526 2.823 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2ccc(F)cc2F)C2CC2)CC[N@@H+]1C ZINC001490666092 1005750172 /nfs/dbraw/zinc/75/01/72/1005750172.db2.gz YJJUTNOWMDRAEP-QXAKKESOSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2ccc(F)cc2F)C2CC2)CC[N@H+]1C ZINC001490666092 1005750174 /nfs/dbraw/zinc/75/01/74/1005750174.db2.gz YJJUTNOWMDRAEP-QXAKKESOSA-N 1 3 365.468 2.680 20 0 FFADHO c1nc(C2OCCO2)sc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850362765 1005811248 /nfs/dbraw/zinc/81/12/48/1005811248.db2.gz SNIYSVDFANYKQM-UHFFFAOYSA-N 1 3 374.510 2.585 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001097085410 1017012488 /nfs/dbraw/zinc/01/24/88/1017012488.db2.gz FXMABZLOZAXILU-NCYKPQTJSA-N 1 3 353.510 2.558 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001110660366 1006290414 /nfs/dbraw/zinc/29/04/14/1006290414.db2.gz BWGZDWULTSMLQS-NMLBUPMWSA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001110660366 1006290421 /nfs/dbraw/zinc/29/04/21/1006290421.db2.gz BWGZDWULTSMLQS-NMLBUPMWSA-N 1 3 365.562 2.501 20 0 FFADHO CCCCCCN(C)Cc1nc(-c2ccnc(N3CC[NH+](C)CC3)c2)no1 ZINC000854084386 1006668983 /nfs/dbraw/zinc/66/89/83/1006668983.db2.gz GAZZGXRBBXTAAU-UHFFFAOYSA-N 1 3 372.517 2.896 20 0 FFADHO CN1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1(C)C ZINC000883220485 1006708673 /nfs/dbraw/zinc/70/86/73/1006708673.db2.gz KIJVOQINTXEMKE-HXUWFJFHSA-N 1 3 363.521 2.909 20 0 FFADHO COC(=O)c1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)n(C)c1C ZINC000883344308 1006760697 /nfs/dbraw/zinc/76/06/97/1006760697.db2.gz VLVZHOLCHWFYQC-OAHLLOKOSA-N 1 3 373.497 2.911 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)c3cccc(OC)c3)C[C@H]21 ZINC001189668261 1007198567 /nfs/dbraw/zinc/19/85/67/1007198567.db2.gz LPSQZUXTJRSFKT-XKGZKEIXSA-N 1 3 359.514 2.631 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)c3cccc(OC)c3)C[C@H]21 ZINC001189668261 1007198575 /nfs/dbraw/zinc/19/85/75/1007198575.db2.gz LPSQZUXTJRSFKT-XKGZKEIXSA-N 1 3 359.514 2.631 20 0 FFADHO O=C(OCCC[NH+]1CCCCC1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000800218608 1007209763 /nfs/dbraw/zinc/20/97/63/1007209763.db2.gz XPESAEQTJHCIQP-UHFFFAOYSA-N 1 3 374.525 2.924 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001189879978 1007322124 /nfs/dbraw/zinc/32/21/24/1007322124.db2.gz HQEUHZNRQJQMPP-VQTJNVASSA-N 1 3 361.505 2.921 20 0 FFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000817971637 1007836114 /nfs/dbraw/zinc/83/61/14/1007836114.db2.gz FZNNGKZWAAZCJR-SJLPKXTDSA-N 1 3 371.447 2.888 20 0 FFADHO Cc1ncc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)o1 ZINC001086819911 1007894538 /nfs/dbraw/zinc/89/45/38/1007894538.db2.gz HCGDNFCBWGOKJI-YQVWRLOYSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)o1 ZINC001086819911 1007894544 /nfs/dbraw/zinc/89/45/44/1007894544.db2.gz HCGDNFCBWGOKJI-YQVWRLOYSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCCN3C(C)C)C2)o1 ZINC001086819911 1007894550 /nfs/dbraw/zinc/89/45/50/1007894550.db2.gz HCGDNFCBWGOKJI-YQVWRLOYSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086820253 1007899418 /nfs/dbraw/zinc/89/94/18/1007899418.db2.gz WDLOEWJNBGTIOE-QXAKKESOSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1cc(C)n(CC[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)n1 ZINC000856599383 1007910020 /nfs/dbraw/zinc/91/00/20/1007910020.db2.gz HXXJNPWVHJDUDG-OAQYLSRUSA-N 1 3 371.529 2.888 20 0 FFADHO Cc1cc(C)n(CC[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)n1 ZINC000856599383 1007910024 /nfs/dbraw/zinc/91/00/24/1007910024.db2.gz HXXJNPWVHJDUDG-OAQYLSRUSA-N 1 3 371.529 2.888 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3COC(C)(C)O3)C2)ccn1 ZINC000856607212 1007915256 /nfs/dbraw/zinc/91/52/56/1007915256.db2.gz YLHJCLFQJGIEPX-MOPGFXCFSA-N 1 3 363.502 2.526 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3COC(C)(C)O3)C2)ccn1 ZINC000856607212 1007915258 /nfs/dbraw/zinc/91/52/58/1007915258.db2.gz YLHJCLFQJGIEPX-MOPGFXCFSA-N 1 3 363.502 2.526 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001159784069 1008233124 /nfs/dbraw/zinc/23/31/24/1008233124.db2.gz GUCRATQKGGONCU-SNVBAGLBSA-N 1 3 350.200 2.599 20 0 FFADHO O=C(NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000886495405 1008702218 /nfs/dbraw/zinc/70/22/18/1008702218.db2.gz XAAMATWWENMBCH-OTWHNJEPSA-N 1 3 353.466 2.652 20 0 FFADHO O=C(NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccco1 ZINC000886495405 1008702231 /nfs/dbraw/zinc/70/22/31/1008702231.db2.gz XAAMATWWENMBCH-OTWHNJEPSA-N 1 3 353.466 2.652 20 0 FFADHO O=C(NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccco1 ZINC000886495405 1008702245 /nfs/dbraw/zinc/70/22/45/1008702245.db2.gz XAAMATWWENMBCH-OTWHNJEPSA-N 1 3 353.466 2.652 20 0 FFADHO CNC(=O)C1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886516556 1008713434 /nfs/dbraw/zinc/71/34/34/1008713434.db2.gz NVWJFQXDSPZZRL-UMKFMLITSA-N 1 3 355.526 2.934 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886606930 1008769927 /nfs/dbraw/zinc/76/99/27/1008769927.db2.gz INWHBZQJDMDLPO-XIYVOTBMSA-N 1 3 360.542 2.787 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886606930 1008769936 /nfs/dbraw/zinc/76/99/36/1008769936.db2.gz INWHBZQJDMDLPO-XIYVOTBMSA-N 1 3 360.542 2.787 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886606930 1008769942 /nfs/dbraw/zinc/76/99/42/1008769942.db2.gz INWHBZQJDMDLPO-XIYVOTBMSA-N 1 3 360.542 2.787 20 0 FFADHO CCC1(N2CCC2)CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000886709391 1008837475 /nfs/dbraw/zinc/83/74/75/1008837475.db2.gz PWGDQYHBMVWZAO-LJQANCHMSA-N 1 3 370.541 2.964 20 0 FFADHO N=c1cc(C[NH3+])ccn1C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178593170 1009038093 /nfs/dbraw/zinc/03/80/93/1009038093.db2.gz LAVSLCJSNXRWMK-UHFFFAOYSA-N 1 3 372.472 2.788 20 0 FFADHO C[C@H](C(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1 ZINC001180583853 1009760927 /nfs/dbraw/zinc/76/09/27/1009760927.db2.gz BEBIBMDCTQKWEG-CQSZACIVSA-N 1 3 369.431 2.966 20 0 FFADHO Cc1nocc1CN1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093222417 1010164946 /nfs/dbraw/zinc/16/49/46/1010164946.db2.gz LPXLUXRYLGLLES-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCC(C)(C)O3)CC2)CC1 ZINC000890127294 1010275657 /nfs/dbraw/zinc/27/56/57/1010275657.db2.gz LTGXOOQFXYPLCP-IBGZPJMESA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001181981756 1010326463 /nfs/dbraw/zinc/32/64/63/1010326463.db2.gz KNUYTSWNYBPWMJ-NRFANRHFSA-N 1 3 357.542 2.788 20 0 FFADHO CC(C)[N@H+]1CC[C@H](C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001181981756 1010326477 /nfs/dbraw/zinc/32/64/77/1010326477.db2.gz KNUYTSWNYBPWMJ-NRFANRHFSA-N 1 3 357.542 2.788 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N1CCOC[C@H]1C[NH+](C)C)c1ccccc1 ZINC001182232274 1010441535 /nfs/dbraw/zinc/44/15/35/1010441535.db2.gz BUNIJXNDQXOVJV-UXHICEINSA-N 1 3 361.530 2.639 20 0 FFADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1(c2cccc(Cl)c2)CCC1 ZINC001182257199 1010460481 /nfs/dbraw/zinc/46/04/81/1010460481.db2.gz UDRQLDVFTBIQRQ-UHFFFAOYSA-N 1 3 350.894 2.826 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2sccc2Cl)[C@H](C)C1)N(C)C ZINC001093859061 1010634973 /nfs/dbraw/zinc/63/49/73/1010634973.db2.gz NITLQBPCJVJNSP-UMVBOHGHSA-N 1 3 357.951 2.926 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)c(C)s1 ZINC001094020440 1010785984 /nfs/dbraw/zinc/78/59/84/1010785984.db2.gz AUTWRYHFTHTNDK-MZMPZRCHSA-N 1 3 366.575 2.530 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001094021163 1010788068 /nfs/dbraw/zinc/78/80/68/1010788068.db2.gz ZGNHSNNHGSVRBT-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC001094040400 1010802576 /nfs/dbraw/zinc/80/25/76/1010802576.db2.gz HTHCZOIVUQAPAA-HLLBOEOZSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c1 ZINC001094040833 1010803583 /nfs/dbraw/zinc/80/35/83/1010803583.db2.gz QEDJGGXSIGSXDL-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(Cl)s3)[C@H](C)C2)C1 ZINC001094042294 1010805383 /nfs/dbraw/zinc/80/53/83/1010805383.db2.gz QYUYJOOFKJULIB-RRFJBIMHSA-N 1 3 369.962 2.927 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001094044016 1010807084 /nfs/dbraw/zinc/80/70/84/1010807084.db2.gz ISOVOUUJQBJMRQ-SJLPKXTDSA-N 1 3 361.505 2.742 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C)on1 ZINC001094237968 1010981440 /nfs/dbraw/zinc/98/14/40/1010981440.db2.gz SZWAIRLSMISLKK-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)s2)[C@H](C)C1 ZINC001094241649 1010984618 /nfs/dbraw/zinc/98/46/18/1010984618.db2.gz UEYYJHRGDXZQTA-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CC[NH+](CC)Cc1cc([C@H](C)NC2CN(c3ccncn3)C2)ccc1OC ZINC000866495578 1011004056 /nfs/dbraw/zinc/00/40/56/1011004056.db2.gz FDKSIBWSUZRIPR-INIZCTEOSA-N 1 3 369.513 2.866 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C/C=C/Cl)CC3)CC[N@@H+]1C ZINC001094421350 1011105089 /nfs/dbraw/zinc/10/50/89/1011105089.db2.gz UDLUIURLHYDUCM-GBPNDIDPSA-N 1 3 353.938 2.830 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C/C=C/Cl)CC3)CC[N@H+]1C ZINC001094421350 1011105092 /nfs/dbraw/zinc/10/50/92/1011105092.db2.gz UDLUIURLHYDUCM-GBPNDIDPSA-N 1 3 353.938 2.830 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2)C12CCC[NH+](CCC1)C2 ZINC001094445248 1011134407 /nfs/dbraw/zinc/13/44/07/1011134407.db2.gz SPTVASXHCAIRNZ-VTBHMHMFSA-N 1 3 365.949 2.976 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC[C@@H]21 ZINC000868032866 1011150926 /nfs/dbraw/zinc/15/09/26/1011150926.db2.gz UGSFAYOZNYISAM-AQNXPRMDSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC[C@@H]21 ZINC000868032866 1011150931 /nfs/dbraw/zinc/15/09/31/1011150931.db2.gz UGSFAYOZNYISAM-AQNXPRMDSA-N 1 3 356.514 2.559 20 0 FFADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001094477981 1011168174 /nfs/dbraw/zinc/16/81/74/1011168174.db2.gz NQDXHSKTMGKICX-TZIWHRDSSA-N 1 3 361.505 2.735 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868114091 1011172505 /nfs/dbraw/zinc/17/25/05/1011172505.db2.gz ASVHBZWFBSEABV-RBUKOAKNSA-N 1 3 374.554 2.636 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868114089 1011172794 /nfs/dbraw/zinc/17/27/94/1011172794.db2.gz ASVHBZWFBSEABV-MOPGFXCFSA-N 1 3 374.554 2.636 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)[C@@H](C1CC1)N1CCCC1 ZINC001110847422 1011215461 /nfs/dbraw/zinc/21/54/61/1011215461.db2.gz QSJAFGZKVUDRMV-AKHDSKFASA-N 1 3 351.510 2.722 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)[C@@H](C1CC1)N1CCCC1 ZINC001110847422 1011215469 /nfs/dbraw/zinc/21/54/69/1011215469.db2.gz QSJAFGZKVUDRMV-AKHDSKFASA-N 1 3 351.510 2.722 20 0 FFADHO CN(CCNC(=O)OC(C)(C)C)CCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624333 1011410746 /nfs/dbraw/zinc/41/07/46/1011410746.db2.gz QITRKMRZJTTYLI-UHFFFAOYSA-N 1 3 370.582 2.684 20 0 FFADHO CN1C(C)(C)CC([N@@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)CC1(C)C ZINC001171638220 1011421517 /nfs/dbraw/zinc/42/15/17/1011421517.db2.gz XCMNSTJJIILDEM-OAQYLSRUSA-N 1 3 371.529 2.557 20 0 FFADHO CN1C(C)(C)CC([N@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)CC1(C)C ZINC001171638220 1011421522 /nfs/dbraw/zinc/42/15/22/1011421522.db2.gz XCMNSTJJIILDEM-OAQYLSRUSA-N 1 3 371.529 2.557 20 0 FFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172062497 1011625945 /nfs/dbraw/zinc/62/59/45/1011625945.db2.gz OQSUGDWKUFBKOY-CUUWFGFTSA-N 1 3 353.510 2.783 20 0 FFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172062497 1011625953 /nfs/dbraw/zinc/62/59/53/1011625953.db2.gz OQSUGDWKUFBKOY-CUUWFGFTSA-N 1 3 353.510 2.783 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC3CCOCC3)nc1)C2 ZINC001172109933 1011644693 /nfs/dbraw/zinc/64/46/93/1011644693.db2.gz GZTFYQPQIXUFFZ-ACDBMABISA-N 1 3 359.514 2.992 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1=O ZINC001275139700 1011989120 /nfs/dbraw/zinc/98/91/20/1011989120.db2.gz POORQHMDKBMBLT-GOSISDBHSA-N 1 3 369.431 2.881 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1=O ZINC001275139700 1011989130 /nfs/dbraw/zinc/98/91/30/1011989130.db2.gz POORQHMDKBMBLT-GOSISDBHSA-N 1 3 369.431 2.881 20 0 FFADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000646604199 1012063076 /nfs/dbraw/zinc/06/30/76/1012063076.db2.gz YPBSHYQQRAFEBE-ICSRJNTNSA-N 1 3 367.493 2.723 20 0 FFADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000646604199 1012063093 /nfs/dbraw/zinc/06/30/93/1012063093.db2.gz YPBSHYQQRAFEBE-ICSRJNTNSA-N 1 3 367.493 2.723 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)CC1 ZINC001173109278 1012256580 /nfs/dbraw/zinc/25/65/80/1012256580.db2.gz FXVCDUGAYLXQNA-ABHNRTSZSA-N 1 3 369.550 2.553 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646927542 1012281141 /nfs/dbraw/zinc/28/11/41/1012281141.db2.gz MWRADKLWPLZUAV-WSTZPKSXSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646927542 1012281151 /nfs/dbraw/zinc/28/11/51/1012281151.db2.gz MWRADKLWPLZUAV-WSTZPKSXSA-N 1 3 371.525 2.716 20 0 FFADHO CC[C@@H]1CN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647011298 1012333701 /nfs/dbraw/zinc/33/37/01/1012333701.db2.gz CGRMQINXESZXQH-IOMROCGXSA-N 1 3 357.542 2.915 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CNC2CC[NH+](CCOC(C)C)CC2)o1 ZINC000647189398 1012403481 /nfs/dbraw/zinc/40/34/81/1012403481.db2.gz SANXGQCNHWPYJX-UHFFFAOYSA-N 1 3 360.502 2.968 20 0 FFADHO Cc1ncc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CCN(C)C)C3=O)s1 ZINC001275442890 1012469417 /nfs/dbraw/zinc/46/94/17/1012469417.db2.gz LGMPZWXLDXCHFU-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CCN(C)C)C3=O)s1 ZINC001275442890 1012469428 /nfs/dbraw/zinc/46/94/28/1012469428.db2.gz LGMPZWXLDXCHFU-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO OCCCCCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796385144 1012557783 /nfs/dbraw/zinc/55/77/83/1012557783.db2.gz RYVKRTGAJSATDK-QFIPXVFZSA-N 1 3 359.558 2.821 20 0 FFADHO OCCCCCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796385144 1012557802 /nfs/dbraw/zinc/55/78/02/1012557802.db2.gz RYVKRTGAJSATDK-QFIPXVFZSA-N 1 3 359.558 2.821 20 0 FFADHO CN(CCOC(c1ccccc1)c1ccccc1)CCN1CC[NH2+]CC1 ZINC000647835142 1012605084 /nfs/dbraw/zinc/60/50/84/1012605084.db2.gz OGYXCFPHDZZSCL-UHFFFAOYSA-N 1 3 353.510 2.630 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975830 1012652204 /nfs/dbraw/zinc/65/22/04/1012652204.db2.gz GOPQNWCQFVPXOU-XUVXKRRUSA-N 1 3 373.541 2.590 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978188 1012653889 /nfs/dbraw/zinc/65/38/89/1012653889.db2.gz NXVJLENQJLYABJ-PMACEKPBSA-N 1 3 373.541 2.803 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977707 1012654517 /nfs/dbraw/zinc/65/45/17/1012654517.db2.gz GODYYVIBLAUUJA-IPMKNSEASA-N 1 3 373.541 2.926 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173742494 1012933559 /nfs/dbraw/zinc/93/35/59/1012933559.db2.gz KROBENZPQXZDFK-IAGOWNOFSA-N 1 3 374.920 2.846 20 0 FFADHO CC(C)N1CC[NH+](CCCC(=O)Nc2ccnc(N3CCCCC3)c2)CC1 ZINC000888576323 1012962839 /nfs/dbraw/zinc/96/28/39/1012962839.db2.gz SQAPTNVRWPSWHD-UHFFFAOYSA-N 1 3 373.545 2.817 20 0 FFADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001275770382 1012984957 /nfs/dbraw/zinc/98/49/57/1012984957.db2.gz IGUPWMCIAUNQJR-NQIIRXRSSA-N 1 3 367.578 2.582 20 0 FFADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001275770382 1012984960 /nfs/dbraw/zinc/98/49/60/1012984960.db2.gz IGUPWMCIAUNQJR-NQIIRXRSSA-N 1 3 367.578 2.582 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)[C@H](C)C1 ZINC000678600626 1017386081 /nfs/dbraw/zinc/38/60/81/1017386081.db2.gz NHHLFGRNQITWEI-YZGWKJHDSA-N 1 3 365.562 2.647 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1)C12CCC[NH+]1CCC2 ZINC001097431114 1017480722 /nfs/dbraw/zinc/48/07/22/1017480722.db2.gz YPAXPVZZGNWYJO-NXHRZFHOSA-N 1 3 359.539 2.641 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@H]21 ZINC000827330263 1017634500 /nfs/dbraw/zinc/63/45/00/1017634500.db2.gz LIUMUFVHADDQGI-QWFCFKBJSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@H]21 ZINC000827330263 1017634507 /nfs/dbraw/zinc/63/45/07/1017634507.db2.gz LIUMUFVHADDQGI-QWFCFKBJSA-N 1 3 359.489 2.590 20 0 FFADHO CCN1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CCOC)cc2)CC1 ZINC000925732791 1017827035 /nfs/dbraw/zinc/82/70/35/1017827035.db2.gz YLHXIBPIJLSUQC-XDNSSPFJSA-N 1 3 372.557 2.882 20 0 FFADHO CCN1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CCOC)cc2)CC1 ZINC000925732791 1017827052 /nfs/dbraw/zinc/82/70/52/1017827052.db2.gz YLHXIBPIJLSUQC-XDNSSPFJSA-N 1 3 372.557 2.882 20 0 FFADHO Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000925887208 1017881778 /nfs/dbraw/zinc/88/17/78/1017881778.db2.gz VEHRHFWJPBTIED-QFUCXCTJSA-N 1 3 372.534 2.806 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)cc2)CC1 ZINC000925912604 1017898481 /nfs/dbraw/zinc/89/84/81/1017898481.db2.gz ARCRTQCDCLJWAW-OAQYLSRUSA-N 1 3 371.529 2.578 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)c(C)c1 ZINC001097779335 1017920746 /nfs/dbraw/zinc/92/07/46/1017920746.db2.gz MNDKZAZYZWTELE-NJYVYQBISA-N 1 3 355.526 2.867 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000926182682 1018015672 /nfs/dbraw/zinc/01/56/72/1018015672.db2.gz JBQWOKRNGRCCRH-UHFFFAOYSA-N 1 3 358.486 2.697 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](C[C@@H]2CCOC2)C1)c1ccccc1 ZINC000681219410 1018420056 /nfs/dbraw/zinc/42/00/56/1018420056.db2.gz VVZOXHSBNYDJQB-IRFCIJBXSA-N 1 3 373.541 2.544 20 0 FFADHO COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001110937719 1018741248 /nfs/dbraw/zinc/74/12/48/1018741248.db2.gz FXOUIHJZFGFICX-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO COCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001110937719 1018741265 /nfs/dbraw/zinc/74/12/65/1018741265.db2.gz FXOUIHJZFGFICX-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001110937719 1018741280 /nfs/dbraw/zinc/74/12/80/1018741280.db2.gz FXOUIHJZFGFICX-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001110937719 1018741293 /nfs/dbraw/zinc/74/12/93/1018741293.db2.gz FXOUIHJZFGFICX-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO COC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000388099192 1019566385 /nfs/dbraw/zinc/56/63/85/1019566385.db2.gz DNNXBEDYPBUSQK-MBOZVWFJSA-N 1 3 367.534 2.619 20 0 FFADHO COC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000388099192 1019566396 /nfs/dbraw/zinc/56/63/96/1019566396.db2.gz DNNXBEDYPBUSQK-MBOZVWFJSA-N 1 3 367.534 2.619 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001096345280 1020170882 /nfs/dbraw/zinc/17/08/82/1020170882.db2.gz LJNOWARZIJTEOW-DBOLQNLKSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096345280 1020170886 /nfs/dbraw/zinc/17/08/86/1020170886.db2.gz LJNOWARZIJTEOW-DBOLQNLKSA-N 1 3 355.526 2.812 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1C ZINC001096355702 1020205757 /nfs/dbraw/zinc/20/57/57/1020205757.db2.gz BAUHWGFZDBYTDM-AABGKKOBSA-N 1 3 353.510 2.621 20 0 FFADHO C[C@@H](c1ccccc1F)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752684 1020304269 /nfs/dbraw/zinc/30/42/69/1020304269.db2.gz XBGQEXOOOHKIDV-SOLBZPMBSA-N 1 3 359.489 2.761 20 0 FFADHO C[C@@H](c1ccccc1F)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752684 1020304278 /nfs/dbraw/zinc/30/42/78/1020304278.db2.gz XBGQEXOOOHKIDV-SOLBZPMBSA-N 1 3 359.489 2.761 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCC(F)(F)F)C3)CC[N@@H+]1C ZINC001098846777 1021231745 /nfs/dbraw/zinc/23/17/45/1021231745.db2.gz RQSJDWPBKZDUNS-MPTYRVRUSA-N 1 3 361.452 2.640 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCC(F)(F)F)C3)CC[N@H+]1C ZINC001098846777 1021231753 /nfs/dbraw/zinc/23/17/53/1021231753.db2.gz RQSJDWPBKZDUNS-MPTYRVRUSA-N 1 3 361.452 2.640 20 0 FFADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCC(F)(F)F ZINC001116821078 1021435829 /nfs/dbraw/zinc/43/58/29/1021435829.db2.gz GIMBIMCYJKAQSI-DZUCGIPZSA-N 1 3 369.431 2.839 20 0 FFADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCC(F)(F)F ZINC001116821079 1021436482 /nfs/dbraw/zinc/43/64/82/1021436482.db2.gz GIMBIMCYJKAQSI-LLLHUVSDSA-N 1 3 369.431 2.839 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218101464 1032994142 /nfs/dbraw/zinc/99/41/42/1032994142.db2.gz QFBYXTKZWUPMJP-OAOPFVHKSA-N 1 3 363.546 2.517 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218101464 1032994154 /nfs/dbraw/zinc/99/41/54/1032994154.db2.gz QFBYXTKZWUPMJP-OAOPFVHKSA-N 1 3 363.546 2.517 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc4cccnc43)C2)CC[N@@H+]1C ZINC001014506110 1021880456 /nfs/dbraw/zinc/88/04/56/1021880456.db2.gz DZOKJUXPAKCXQG-SLFFLAALSA-N 1 3 366.509 2.656 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc4cccnc43)C2)CC[N@H+]1C ZINC001014506110 1021880469 /nfs/dbraw/zinc/88/04/69/1021880469.db2.gz DZOKJUXPAKCXQG-SLFFLAALSA-N 1 3 366.509 2.656 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C/C=C\c2ccccc2)C3)C1 ZINC001099159940 1021966974 /nfs/dbraw/zinc/96/69/74/1021966974.db2.gz MMCKBJDKWRCNOQ-DOJLFBGVSA-N 1 3 353.510 2.622 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C/C=C\c2ccccc2)C3)C1 ZINC001099159940 1021966979 /nfs/dbraw/zinc/96/69/79/1021966979.db2.gz MMCKBJDKWRCNOQ-DOJLFBGVSA-N 1 3 353.510 2.622 20 0 FFADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520071 1033024878 /nfs/dbraw/zinc/02/48/78/1033024878.db2.gz AMPQUNOSAYTZKZ-UZUQRXQVSA-N 1 3 369.553 2.574 20 0 FFADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520071 1033024891 /nfs/dbraw/zinc/02/48/91/1033024891.db2.gz AMPQUNOSAYTZKZ-UZUQRXQVSA-N 1 3 369.553 2.574 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(Cc2ccc(F)cc2)CC3)CC[N@@H+]1C ZINC001016631681 1022062321 /nfs/dbraw/zinc/06/23/21/1022062321.db2.gz AOHPPAPSZBBQJQ-ATZDWAIDSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(Cc2ccc(F)cc2)CC3)CC[N@H+]1C ZINC001016631681 1022062337 /nfs/dbraw/zinc/06/23/37/1022062337.db2.gz AOHPPAPSZBBQJQ-ATZDWAIDSA-N 1 3 359.489 2.637 20 0 FFADHO CC(C)C[C@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000829236436 1033057016 /nfs/dbraw/zinc/05/70/16/1033057016.db2.gz KSIAKQFXWKJUME-DOTOQJQBSA-N 1 3 369.513 2.551 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC(F)(F)C3)C2)C1 ZINC001099500633 1022637072 /nfs/dbraw/zinc/63/70/72/1022637072.db2.gz ZKUBZTVQIPOXMX-AYBZRNKSSA-N 1 3 369.500 2.592 20 0 FFADHO [NH3+]CCc1ccc2c(c1)CCCN2C(=O)CC1(N2CCOCC2)CCCC1 ZINC001122328144 1023192136 /nfs/dbraw/zinc/19/21/36/1023192136.db2.gz YTBCTRHSCHHLBN-UHFFFAOYSA-N 1 3 371.525 2.502 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001222810795 1033167706 /nfs/dbraw/zinc/16/77/06/1033167706.db2.gz XHXPHGKQRKTXAF-QRVBRYPASA-N 1 3 353.526 2.923 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001222810795 1033167707 /nfs/dbraw/zinc/16/77/07/1033167707.db2.gz XHXPHGKQRKTXAF-QRVBRYPASA-N 1 3 353.526 2.923 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001121920899 1024171663 /nfs/dbraw/zinc/17/16/63/1024171663.db2.gz LODGGHRYVNAZFC-YJBOKZPZSA-N 1 3 367.497 2.632 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)OCC[NH2+]C3)C1 ZINC001121989211 1024241011 /nfs/dbraw/zinc/24/10/11/1024241011.db2.gz PNMCMWAUKPMFIJ-UZLBHIALSA-N 1 3 365.477 2.734 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3CC)C[C@@]2(C)C1 ZINC001101438860 1024746227 /nfs/dbraw/zinc/74/62/27/1024746227.db2.gz XZHRRQRBCNKTQL-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3CC)C[C@@]2(C)C1 ZINC001101438860 1024746240 /nfs/dbraw/zinc/74/62/40/1024746240.db2.gz XZHRRQRBCNKTQL-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CC[C@@H](C(=O)N1CCO[C@@H]2CN(CCCC3CCC3)C[C@@H]21)[NH+](CC)CC ZINC001218624151 1033250494 /nfs/dbraw/zinc/25/04/94/1033250494.db2.gz NMGHFWRVPARRKB-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c1 ZINC001102046340 1025352037 /nfs/dbraw/zinc/35/20/37/1025352037.db2.gz ZCXUECFMKYNNNG-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c1 ZINC001102046340 1025352053 /nfs/dbraw/zinc/35/20/53/1025352053.db2.gz ZCXUECFMKYNNNG-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047549 1025355021 /nfs/dbraw/zinc/35/50/21/1025355021.db2.gz KVFUMNVVSYWGBB-KDQNLZRCSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047549 1025355034 /nfs/dbraw/zinc/35/50/34/1025355034.db2.gz KVFUMNVVSYWGBB-KDQNLZRCSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292361 1025703497 /nfs/dbraw/zinc/70/34/97/1025703497.db2.gz KMZRHODTDNPFTE-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CC1CCN(c2ccc(C[NH2+]C3CCN(CC(C)(C)O)CC3)cn2)CC1 ZINC000638378417 1025813458 /nfs/dbraw/zinc/81/34/58/1025813458.db2.gz QUOPIMLIIZNPEN-UHFFFAOYSA-N 1 3 360.546 2.643 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1C ZINC001102367014 1025821711 /nfs/dbraw/zinc/82/17/11/1025821711.db2.gz YGFDHHIMWOZMNK-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1C ZINC001102367014 1025821728 /nfs/dbraw/zinc/82/17/28/1025821728.db2.gz YGFDHHIMWOZMNK-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102369859 1025822326 /nfs/dbraw/zinc/82/23/26/1025822326.db2.gz JCNZUCDUZCOLJU-YQVWRLOYSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102369859 1025822340 /nfs/dbraw/zinc/82/23/40/1025822340.db2.gz JCNZUCDUZCOLJU-YQVWRLOYSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102369635 1025823778 /nfs/dbraw/zinc/82/37/78/1025823778.db2.gz AVPMIQBWNRUXBS-OZOXKJRCSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102369635 1025823802 /nfs/dbraw/zinc/82/38/02/1025823802.db2.gz AVPMIQBWNRUXBS-OZOXKJRCSA-N 1 3 357.542 2.829 20 0 FFADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372938 1025838148 /nfs/dbraw/zinc/83/81/48/1025838148.db2.gz RBIVDJJCFCNRRM-MBOZVWFJSA-N 1 3 353.526 2.849 20 0 FFADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372938 1025838173 /nfs/dbraw/zinc/83/81/73/1025838173.db2.gz RBIVDJJCFCNRRM-MBOZVWFJSA-N 1 3 353.526 2.849 20 0 FFADHO CCOCCOc1cc(C)ccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638762822 1026005863 /nfs/dbraw/zinc/00/58/63/1026005863.db2.gz KTDNXAZRFLHBKD-UHFFFAOYSA-N 1 3 364.530 2.735 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102475441 1026055098 /nfs/dbraw/zinc/05/50/98/1026055098.db2.gz OZZRITKAULXRSX-MDYRTPRTSA-N 1 3 361.505 2.839 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102475441 1026055110 /nfs/dbraw/zinc/05/51/10/1026055110.db2.gz OZZRITKAULXRSX-MDYRTPRTSA-N 1 3 361.505 2.839 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1C ZINC001102525232 1026217258 /nfs/dbraw/zinc/21/72/58/1026217258.db2.gz RJXLISFEFJRFAJ-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1C ZINC001102525232 1026217268 /nfs/dbraw/zinc/21/72/68/1026217268.db2.gz RJXLISFEFJRFAJ-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001103140294 1026996440 /nfs/dbraw/zinc/99/64/40/1026996440.db2.gz WWSYJZFWYVMZJI-JFIYKMOQSA-N 1 3 351.560 2.705 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001103140294 1026996445 /nfs/dbraw/zinc/99/64/45/1026996445.db2.gz WWSYJZFWYVMZJI-JFIYKMOQSA-N 1 3 351.560 2.705 20 0 FFADHO CN1CCC(N(c2nc3ccccc3nc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158575321 1027065298 /nfs/dbraw/zinc/06/52/98/1027065298.db2.gz LSOFTOIFTXZSIN-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO c1nc2n(c1C[NH+]1CCCCC1)CCN(Cc1cccc3c1OCO3)CC2 ZINC001141954944 1027212869 /nfs/dbraw/zinc/21/28/69/1027212869.db2.gz VZYOAFUJVNWBBK-UHFFFAOYSA-N 1 3 368.481 2.656 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248064592 1027381428 /nfs/dbraw/zinc/38/14/28/1027381428.db2.gz MCYZHJQBAQCOQI-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248064592 1027381446 /nfs/dbraw/zinc/38/14/46/1027381446.db2.gz MCYZHJQBAQCOQI-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001103407381 1027416928 /nfs/dbraw/zinc/41/69/28/1027416928.db2.gz ADDAOBBGPHYUEL-YVWKXTFCSA-N 1 3 363.521 2.986 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001103407381 1027416934 /nfs/dbraw/zinc/41/69/34/1027416934.db2.gz ADDAOBBGPHYUEL-YVWKXTFCSA-N 1 3 363.521 2.986 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2C)C1 ZINC001103436341 1027482926 /nfs/dbraw/zinc/48/29/26/1027482926.db2.gz UNMIOBSZTPSBPP-QKNQBKEWSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2C)C1 ZINC001103436341 1027482935 /nfs/dbraw/zinc/48/29/35/1027482935.db2.gz UNMIOBSZTPSBPP-QKNQBKEWSA-N 1 3 357.542 2.645 20 0 FFADHO CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495676 1027603096 /nfs/dbraw/zinc/60/30/96/1027603096.db2.gz NIYWGPQJPIQIAW-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495676 1027603102 /nfs/dbraw/zinc/60/31/02/1027603102.db2.gz NIYWGPQJPIQIAW-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO COCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495594 1027603275 /nfs/dbraw/zinc/60/32/75/1027603275.db2.gz KHEMWCJQUMESCA-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495594 1027603278 /nfs/dbraw/zinc/60/32/78/1027603278.db2.gz KHEMWCJQUMESCA-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1C ZINC001103542116 1027656637 /nfs/dbraw/zinc/65/66/37/1027656637.db2.gz GWXAZGIYNYHEES-CEXWTWQISA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1C ZINC001103542116 1027656641 /nfs/dbraw/zinc/65/66/41/1027656641.db2.gz GWXAZGIYNYHEES-CEXWTWQISA-N 1 3 355.567 2.608 20 0 FFADHO Cc1cccc2c1C1(C[C@@H]2CC(=O)N2CC(C)(N(C)C)C2)CC[NH2+]CC1 ZINC001160644531 1027782510 /nfs/dbraw/zinc/78/25/10/1027782510.db2.gz GBIIRJBLIVJYDK-KRWDZBQOSA-N 1 3 355.526 2.656 20 0 FFADHO CN(Cc1ccccc1Oc1ccccc1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160746914 1027851301 /nfs/dbraw/zinc/85/13/01/1027851301.db2.gz OZHJDKPQLCSLEK-XMSQKQJNSA-N 1 3 365.477 2.636 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC001103677052 1027958091 /nfs/dbraw/zinc/95/80/91/1027958091.db2.gz HVNVRWVQTBPUJI-VQIMIIECSA-N 1 3 354.498 2.843 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC001103677052 1027958107 /nfs/dbraw/zinc/95/81/07/1027958107.db2.gz HVNVRWVQTBPUJI-VQIMIIECSA-N 1 3 354.498 2.843 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)c1ccccc1 ZINC001161001656 1027967753 /nfs/dbraw/zinc/96/77/53/1027967753.db2.gz YXOXKBRHBUVYDM-VQTJNVASSA-N 1 3 373.541 2.565 20 0 FFADHO O=C([C@H]1CNC[C@H](F)C1)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054599 1027986747 /nfs/dbraw/zinc/98/67/47/1027986747.db2.gz DSHKNWINPPTTNB-GGPKGHCWSA-N 1 3 359.489 2.590 20 0 FFADHO O=C([C@H]1CNC[C@H](F)C1)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054599 1027986765 /nfs/dbraw/zinc/98/67/65/1027986765.db2.gz DSHKNWINPPTTNB-GGPKGHCWSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000643480228 1028018127 /nfs/dbraw/zinc/01/81/27/1028018127.db2.gz JYZVNFCKATUKDZ-MSEOUXRUSA-N 1 3 357.542 2.644 20 0 FFADHO C[C@H]1CN(C(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)C[C@H](C)N1 ZINC001161229691 1028081847 /nfs/dbraw/zinc/08/18/47/1028081847.db2.gz QWNNWZLSSCQPJH-ZWOKBUDYSA-N 1 3 351.494 2.745 20 0 FFADHO Cc1cc(F)cc(CN(C(=O)C[C@H]2CCNC[C@@H]2F)C2CC[NH2+]CC2)c1 ZINC001161281606 1028112431 /nfs/dbraw/zinc/11/24/31/1028112431.db2.gz JFMZCLNJEHDYCC-APWZRJJASA-N 1 3 365.468 2.552 20 0 FFADHO C[C@@H]1CN(Cc2ccns2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751771 1028137983 /nfs/dbraw/zinc/13/79/83/1028137983.db2.gz QFZFZQYLKDFIGU-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103753459 1028141343 /nfs/dbraw/zinc/14/13/43/1028141343.db2.gz JPRKAJUUBZPFPV-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO Cc1nsc(C)c1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103754554 1028142474 /nfs/dbraw/zinc/14/24/74/1028142474.db2.gz KOPLDEHFLBSFTN-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1nsc(C)c1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103754554 1028142476 /nfs/dbraw/zinc/14/24/76/1028142476.db2.gz KOPLDEHFLBSFTN-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1ccc2c(/C=C/C(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001161442694 1028177318 /nfs/dbraw/zinc/17/73/18/1028177318.db2.gz FIPJRSDMZNAWME-KOEDOTQGSA-N 1 3 354.498 2.632 20 0 FFADHO CN(C)CCN(C(=O)CCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001161444463 1028178238 /nfs/dbraw/zinc/17/82/38/1028178238.db2.gz IIYPZNHQTZFXAT-KRWDZBQOSA-N 1 3 371.447 2.780 20 0 FFADHO Cc1c(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cccc1C(F)(F)F ZINC001161448473 1028179522 /nfs/dbraw/zinc/17/95/22/1028179522.db2.gz CLVHMDIQTITASQ-AWEZNQCLSA-N 1 3 357.420 2.770 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H]1CCCN(c2ccccc2F)C1 ZINC000644610760 1028581548 /nfs/dbraw/zinc/58/15/48/1028581548.db2.gz QHYZLOWNWJCDEJ-UXHICEINSA-N 1 3 371.500 2.877 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H]1CCCN(c2ccccc2F)C1 ZINC000644610760 1028581558 /nfs/dbraw/zinc/58/15/58/1028581558.db2.gz QHYZLOWNWJCDEJ-UXHICEINSA-N 1 3 371.500 2.877 20 0 FFADHO CC[NH+](CC)CCNC(=N)Nc1cc(C)nc(-c2ccc(Cl)nc2)n1 ZINC001163130096 1028814971 /nfs/dbraw/zinc/81/49/71/1028814971.db2.gz UYWFCEQKLWTSIC-UHFFFAOYSA-N 1 3 361.881 2.778 20 0 FFADHO Brc1cccc2nc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH]c21 ZINC001163321852 1028892450 /nfs/dbraw/zinc/89/24/50/1028892450.db2.gz DWBKTPDTAJRVJV-BONVTDFDSA-N 1 3 351.248 2.648 20 0 FFADHO Clc1cc(C2CC[NH2+]CC2)nc(N2CCNC[C@@H]2c2cccs2)n1 ZINC001156097647 1029045505 /nfs/dbraw/zinc/04/55/05/1029045505.db2.gz KZQXTNCTRDVEJP-CQSZACIVSA-N 1 3 363.918 2.809 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782447 1029437251 /nfs/dbraw/zinc/43/72/51/1029437251.db2.gz JISGRKIIZVBCFQ-JQVVWYNYSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782447 1029437259 /nfs/dbraw/zinc/43/72/59/1029437259.db2.gz JISGRKIIZVBCFQ-JQVVWYNYSA-N 1 3 370.541 2.735 20 0 FFADHO N=C(NCCCC[NH3+])Nc1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC001157099043 1029465572 /nfs/dbraw/zinc/46/55/72/1029465572.db2.gz HMXRSWQBLLXBSH-UHFFFAOYSA-N 1 3 352.417 2.533 20 0 FFADHO CN(CC(F)(F)F)C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001157518957 1029606187 /nfs/dbraw/zinc/60/61/87/1029606187.db2.gz CLDRTDHFKMOJEL-SJLPKXTDSA-N 1 3 369.431 2.509 20 0 FFADHO Clc1cc(C2CC[NH2+]CC2)nc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC001157758714 1029656142 /nfs/dbraw/zinc/65/61/42/1029656142.db2.gz DOPVIPVQSGJNDZ-KRWDZBQOSA-N 1 3 357.889 2.748 20 0 FFADHO c1ccc([C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CCN2)cc1 ZINC001157766415 1029659315 /nfs/dbraw/zinc/65/93/15/1029659315.db2.gz HQGIGZZYLLEFDM-FQEVSTJZSA-N 1 3 352.482 2.611 20 0 FFADHO COc1ccc(CN(c2cc(N(C)C)nc(C)n2)C2CC[NH2+]CC2)cc1F ZINC001158004700 1029707148 /nfs/dbraw/zinc/70/71/48/1029707148.db2.gz PIHCPZASRXIIMQ-UHFFFAOYSA-N 1 3 373.476 2.757 20 0 FFADHO COc1cccc(N(c2ccc(CN(C)C3CC3)cn2)C2CC[NH2+]CC2)n1 ZINC001158060251 1029723273 /nfs/dbraw/zinc/72/32/73/1029723273.db2.gz MNXQRLAJGJCXTA-UHFFFAOYSA-N 1 3 367.497 2.970 20 0 FFADHO N[C@@H](CC(=O)N1CCC[C@]12CCC[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC001158160586 1029748027 /nfs/dbraw/zinc/74/80/27/1029748027.db2.gz LCAGHKGUHFTCLV-RDJZCZTQSA-N 1 3 355.404 2.840 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cc(F)ccc1C)C2 ZINC001111926891 1029754456 /nfs/dbraw/zinc/75/44/56/1029754456.db2.gz OHTMHGHMISZSHX-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cc(F)ccc1C)C2 ZINC001111926891 1029754462 /nfs/dbraw/zinc/75/44/62/1029754462.db2.gz OHTMHGHMISZSHX-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335029 1029800795 /nfs/dbraw/zinc/80/07/95/1029800795.db2.gz KWCUKFKCGJROHK-SLFFLAALSA-N 1 3 369.896 2.568 20 0 FFADHO Cc1cc(N(c2cc(Cl)nc3c2CCNC3)C2CC[NH2+]CC2)nc(C)n1 ZINC001158390858 1029818392 /nfs/dbraw/zinc/81/83/92/1029818392.db2.gz DHAXUCGDORLHFA-UHFFFAOYSA-N 1 3 372.904 2.678 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)ccc1OC ZINC000782778752 1029818537 /nfs/dbraw/zinc/81/85/37/1029818537.db2.gz UKFITEUQNYJEKT-JXFKEZNVSA-N 1 3 364.530 2.975 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(CC2(C[NH3+])CC2)CC1 ZINC000841098536 1030035895 /nfs/dbraw/zinc/03/58/95/1030035895.db2.gz IFJQRMAMMPBTDW-DLBZAZTESA-N 1 3 367.534 2.510 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001112120183 1030046822 /nfs/dbraw/zinc/04/68/22/1030046822.db2.gz HPLGRKJLKYQEGT-MGPQQGTHSA-N 1 3 351.457 2.742 20 0 FFADHO CCOCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000783491124 1030120681 /nfs/dbraw/zinc/12/06/81/1030120681.db2.gz NWJAKUGDTDPDHX-RXVVDRJESA-N 1 3 361.530 2.517 20 0 FFADHO CCOCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000783491124 1030120688 /nfs/dbraw/zinc/12/06/88/1030120688.db2.gz NWJAKUGDTDPDHX-RXVVDRJESA-N 1 3 361.530 2.517 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)C3CCN(Cc4ccncc4)CC3)CC2)CC1 ZINC001142344706 1030332803 /nfs/dbraw/zinc/33/28/03/1030332803.db2.gz LYXGEPHYRSROHC-UHFFFAOYSA-N 1 3 370.541 2.628 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000841924970 1030546662 /nfs/dbraw/zinc/54/66/62/1030546662.db2.gz KMJKKIAAQUGXBT-UHFFFAOYSA-N 1 3 366.509 2.605 20 0 FFADHO CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354615 1030636079 /nfs/dbraw/zinc/63/60/79/1030636079.db2.gz QWZBFELOQNWJPQ-RXVVDRJESA-N 1 3 365.562 2.506 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccccc3Br)CC2)CC1 ZINC001203328013 1030672382 /nfs/dbraw/zinc/67/23/82/1030672382.db2.gz VFOBDIJLYULBKR-UHFFFAOYSA-N 1 3 366.347 2.909 20 0 FFADHO COc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001203819381 1030904263 /nfs/dbraw/zinc/90/42/63/1030904263.db2.gz URELDNGTMXAZSU-NHCUHLMSSA-N 1 3 371.525 2.602 20 0 FFADHO COC(=O)c1cccc(CN2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001204637791 1031394460 /nfs/dbraw/zinc/39/44/60/1031394460.db2.gz WUTLVFLZGYHGRY-UHFFFAOYSA-N 1 3 360.498 2.798 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2cccc(C[NH3+])c2)cc1 ZINC000843494954 1031429165 /nfs/dbraw/zinc/42/91/65/1031429165.db2.gz MZNPOIZRDIFRKD-FQEVSTJZSA-N 1 3 353.466 2.721 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001204952935 1031476082 /nfs/dbraw/zinc/47/60/82/1031476082.db2.gz PFDRBCHBECAMAQ-NRFANRHFSA-N 1 3 367.493 2.892 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001204952935 1031476088 /nfs/dbraw/zinc/47/60/88/1031476088.db2.gz PFDRBCHBECAMAQ-NRFANRHFSA-N 1 3 367.493 2.892 20 0 FFADHO O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218848399 1033374550 /nfs/dbraw/zinc/37/45/50/1033374550.db2.gz XQIVSVSRYCTWCL-HNNXBMFYSA-N 1 3 364.474 2.711 20 0 FFADHO CC(C)CNC(=O)c1cccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001218957127 1033427159 /nfs/dbraw/zinc/42/71/59/1033427159.db2.gz QAWJMOWWBZJXCG-SFHVURJKSA-N 1 3 362.518 2.507 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001219031527 1033477098 /nfs/dbraw/zinc/47/70/98/1033477098.db2.gz QBMGZBAKNYWPIS-UHFFFAOYSA-N 1 3 365.477 2.963 20 0 FFADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)c3csc4c3CCNC4)cc2)C1 ZINC001219239890 1033566958 /nfs/dbraw/zinc/56/69/58/1033566958.db2.gz WORFXWSNBXAORP-ZDUSSCGKSA-N 1 3 356.495 2.574 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCOC)[C@H]2C1 ZINC001223883857 1033626139 /nfs/dbraw/zinc/62/61/39/1033626139.db2.gz YTVNGMOOBTYWJN-AABGKKOBSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCOC)[C@H]2C1 ZINC001223883857 1033626145 /nfs/dbraw/zinc/62/61/45/1033626145.db2.gz YTVNGMOOBTYWJN-AABGKKOBSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)CCCC[NH+](C)C)C[C@@H]32)c1 ZINC001223955909 1033659350 /nfs/dbraw/zinc/65/93/50/1033659350.db2.gz VBECOKNEJXDJOW-UXHICEINSA-N 1 3 358.530 2.545 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1F)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219671601 1033741203 /nfs/dbraw/zinc/74/12/03/1033741203.db2.gz KVCXTCVVEBOLJZ-NXLVEIQXSA-N 1 3 373.516 2.885 20 0 FFADHO O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001219769416 1033804674 /nfs/dbraw/zinc/80/46/74/1033804674.db2.gz WJFOYNOPKPDVGO-LPHOPBHVSA-N 1 3 367.896 2.760 20 0 FFADHO CN[C@H](C(=O)NCC1CC[NH+](C2CCCCC2)CC1)[C@@H](C)OC(C)(C)C ZINC001220260783 1034077886 /nfs/dbraw/zinc/07/78/86/1034077886.db2.gz GTPTZLAWJAYDJX-APWZRJJASA-N 1 3 367.578 2.939 20 0 FFADHO N[C@H](C(=O)NCC1CC[NH+](C2CCCCC2)CC1)C1Cc2ccccc2C1 ZINC001220261085 1034078587 /nfs/dbraw/zinc/07/85/87/1034078587.db2.gz QISDIHDIZGVQPQ-QFIPXVFZSA-N 1 3 369.553 2.890 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC(NC(=O)C(C)(C)C)CC2)cc1 ZINC001138771846 1034640020 /nfs/dbraw/zinc/64/00/20/1034640020.db2.gz HCZWXPFAPKGBFG-UHFFFAOYSA-N 1 3 361.530 2.754 20 0 FFADHO CCCC(C[NH3+])(CCC)NC(=O)c1ccc(CN2CCN(CC)CC2)cc1 ZINC001221375305 1034697089 /nfs/dbraw/zinc/69/70/89/1034697089.db2.gz JNFPANUKMFZEOC-UHFFFAOYSA-N 1 3 374.573 2.852 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221398316 1034713692 /nfs/dbraw/zinc/71/36/92/1034713692.db2.gz XIIVSZFCBLINCK-VOQZNFBZSA-N 1 3 363.505 2.585 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221398316 1034713704 /nfs/dbraw/zinc/71/37/04/1034713704.db2.gz XIIVSZFCBLINCK-VOQZNFBZSA-N 1 3 363.505 2.585 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001221408728 1034718725 /nfs/dbraw/zinc/71/87/25/1034718725.db2.gz QTUKBAUBIHOWJU-KBRIMQKVSA-N 1 3 371.447 2.810 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001221408728 1034718733 /nfs/dbraw/zinc/71/87/33/1034718733.db2.gz QTUKBAUBIHOWJU-KBRIMQKVSA-N 1 3 371.447 2.810 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226767852 1034829207 /nfs/dbraw/zinc/82/92/07/1034829207.db2.gz YEJQHJKWJQKCHB-QZTJIDSGSA-N 1 3 353.551 2.550 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001226891152 1034874917 /nfs/dbraw/zinc/87/49/17/1034874917.db2.gz REAWCVATVOJBSD-DJIMGWMZSA-N 1 3 350.532 2.535 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001226891152 1034874925 /nfs/dbraw/zinc/87/49/25/1034874925.db2.gz REAWCVATVOJBSD-DJIMGWMZSA-N 1 3 350.532 2.535 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1)N(C)C ZINC001226941531 1034889700 /nfs/dbraw/zinc/88/97/00/1034889700.db2.gz CPKISCHQOKSUKL-AQNXPRMDSA-N 1 3 367.578 2.796 20 0 FFADHO Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001226942344 1034890032 /nfs/dbraw/zinc/89/00/32/1034890032.db2.gz WWOGDQLOEMBPRZ-KURKYZTESA-N 1 3 366.575 2.597 20 0 FFADHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221587868 1034901368 /nfs/dbraw/zinc/90/13/68/1034901368.db2.gz LPCSMMNBSRHUBX-VXARMHRZSA-N 1 3 353.526 2.945 20 0 FFADHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221587868 1034901373 /nfs/dbraw/zinc/90/13/73/1034901373.db2.gz LPCSMMNBSRHUBX-VXARMHRZSA-N 1 3 353.526 2.945 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)C1CCCC1 ZINC001227150401 1034950994 /nfs/dbraw/zinc/95/09/94/1034950994.db2.gz QELXJNFXBTYDHO-GUDVDZBRSA-N 1 3 367.578 2.939 20 0 FFADHO C[NH+](C)C1(CC(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)CCCC1 ZINC001221715465 1035007016 /nfs/dbraw/zinc/00/70/16/1035007016.db2.gz SXHIYLAAZWZSHK-IAGOWNOFSA-N 1 3 369.500 2.829 20 0 FFADHO CN1CCN(c2ccc(CN3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cn2)CC1 ZINC001232361641 1035622978 /nfs/dbraw/zinc/62/29/78/1035622978.db2.gz DCZXUCNGGLESNV-SFTDATJTSA-N 1 3 371.573 2.672 20 0 FFADHO CN1CCN(c2ccc(CN3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cn2)CC1 ZINC001232361641 1035622984 /nfs/dbraw/zinc/62/29/84/1035622984.db2.gz DCZXUCNGGLESNV-SFTDATJTSA-N 1 3 371.573 2.672 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703117 1035684924 /nfs/dbraw/zinc/68/49/24/1035684924.db2.gz BUZCJLPYKVZUNS-VAMGGRTRSA-N 1 3 365.562 2.695 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1c[nH]c2nccc(Cl)c12 ZINC001232458209 1035699801 /nfs/dbraw/zinc/69/98/01/1035699801.db2.gz ZURKOUCLQWYHEO-UHFFFAOYSA-N 1 3 352.866 2.533 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1c[nH]c2nccc(Cl)c12 ZINC001232458209 1035699806 /nfs/dbraw/zinc/69/98/06/1035699806.db2.gz ZURKOUCLQWYHEO-UHFFFAOYSA-N 1 3 352.866 2.533 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCc2c1c(F)ccc2F ZINC001228365396 1036072233 /nfs/dbraw/zinc/07/22/33/1036072233.db2.gz FPMRWKXTJAKZFT-KZNAEPCWSA-N 1 3 365.468 2.921 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)CC(C)(C)C)c1 ZINC001228624286 1036212147 /nfs/dbraw/zinc/21/21/47/1036212147.db2.gz WBGQHUMQCBIMSW-RTBURBONSA-N 1 3 360.546 2.885 20 0 FFADHO C[NH+]1CCC2(CCN(Cc3cc(Br)c[nH]c3=O)CC2)CC1 ZINC001233187979 1036425891 /nfs/dbraw/zinc/42/58/91/1036425891.db2.gz USPMPYDVNJABFH-UHFFFAOYSA-N 1 3 354.292 2.858 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)c1ccccc1 ZINC001229231136 1036564825 /nfs/dbraw/zinc/56/48/25/1036564825.db2.gz LXWUONZMSQVHBL-VAMGGRTRSA-N 1 3 361.530 2.733 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001229231763 1036564921 /nfs/dbraw/zinc/56/49/21/1036564921.db2.gz UMRAKMAWIWDUHJ-RRFJBIMHSA-N 1 3 364.361 2.929 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCCC(F)(F)F)C[C@H]2C)CC[N@@H+]1C ZINC001207000939 1037044158 /nfs/dbraw/zinc/04/41/58/1037044158.db2.gz PHJJPOLXNQWRMI-QKPAOTATSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCCC(F)(F)F)C[C@H]2C)CC[N@H+]1C ZINC001207000939 1037044166 /nfs/dbraw/zinc/04/41/66/1037044166.db2.gz PHJJPOLXNQWRMI-QKPAOTATSA-N 1 3 363.468 2.886 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001230279422 1037189570 /nfs/dbraw/zinc/18/95/70/1037189570.db2.gz BCVSMOKJCDTORX-HZPDHXFCSA-N 1 3 352.910 2.592 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)[NH+]1CCCC1 ZINC001230287021 1037197794 /nfs/dbraw/zinc/19/77/94/1037197794.db2.gz VYKXBQRAJFEVTF-VAMGGRTRSA-N 1 3 358.530 2.719 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](CC(C)(C)CN(C)C)C2)cc1 ZINC001207285174 1037319292 /nfs/dbraw/zinc/31/92/92/1037319292.db2.gz ZWEYNDKRMFCSMR-IBGZPJMESA-N 1 3 361.530 2.867 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](CC(C)(C)CN(C)C)C2)cc1 ZINC001207285174 1037319304 /nfs/dbraw/zinc/31/93/04/1037319304.db2.gz ZWEYNDKRMFCSMR-IBGZPJMESA-N 1 3 361.530 2.867 20 0 FFADHO CC(C)(CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)N1CCOCC1 ZINC001207308104 1037334703 /nfs/dbraw/zinc/33/47/03/1037334703.db2.gz RYVMQZSYCFYMNE-VXKWHMMOSA-N 1 3 371.569 2.941 20 0 FFADHO CC(C)(CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)N1CCOCC1 ZINC001207308104 1037334718 /nfs/dbraw/zinc/33/47/18/1037334718.db2.gz RYVMQZSYCFYMNE-VXKWHMMOSA-N 1 3 371.569 2.941 20 0 FFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC001207424068 1037430621 /nfs/dbraw/zinc/43/06/21/1037430621.db2.gz QIDRLBUYLCFKHJ-NEWSRXKRSA-N 1 3 359.905 2.569 20 0 FFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC001207424068 1037430623 /nfs/dbraw/zinc/43/06/23/1037430623.db2.gz QIDRLBUYLCFKHJ-NEWSRXKRSA-N 1 3 359.905 2.569 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1ccc(F)c(C)c1Cl)C2 ZINC001235335039 1037485269 /nfs/dbraw/zinc/48/52/69/1037485269.db2.gz RSZOSLQIOBVKQS-GJRWTSMGSA-N 1 3 366.864 2.618 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)C2)cc1 ZINC001235482463 1037578159 /nfs/dbraw/zinc/57/81/59/1037578159.db2.gz AZCGENIMTHVVCQ-HLAWJBBLSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]3CCCC3)C2)cc1 ZINC001235485475 1037581432 /nfs/dbraw/zinc/58/14/32/1037581432.db2.gz KWBKPEUQIWKLHV-RTWAWAEBSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1cccc(N2C[C@]3(CCN(CC[C@H]4COC(C)(C)[NH2+]4)C3)CC2=O)c1 ZINC001235595655 1037636865 /nfs/dbraw/zinc/63/68/65/1037636865.db2.gz CVNYJYVOMOOCTF-LAUBAEHRSA-N 1 3 357.498 2.538 20 0 FFADHO c1ccc(CN2CCOC3(CCN(CC[C@@H]4CCCC[NH2+]4)CC3)C2)cc1 ZINC001235610870 1037643200 /nfs/dbraw/zinc/64/32/00/1037643200.db2.gz FFVAKTYZSYCTDH-NRFANRHFSA-N 1 3 357.542 2.886 20 0 FFADHO Fc1cccc(CN2CC[C@@]23CCCN(Cc2ccc4n2CC[NH2+]C4)C3)c1 ZINC001235627786 1037651948 /nfs/dbraw/zinc/65/19/48/1037651948.db2.gz BASQAVPCYYIHMS-JOCHJYFZSA-N 1 3 368.500 2.971 20 0 FFADHO COc1ccccc1O[C@@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235688389 1037682432 /nfs/dbraw/zinc/68/24/32/1037682432.db2.gz PLVXBPJUVWBRIP-LJQANCHMSA-N 1 3 367.493 2.758 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC001207757692 1037696540 /nfs/dbraw/zinc/69/65/40/1037696540.db2.gz JQVKHXNZYRECDX-VQIMIIECSA-N 1 3 363.521 2.925 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC001207757692 1037696551 /nfs/dbraw/zinc/69/65/51/1037696551.db2.gz JQVKHXNZYRECDX-VQIMIIECSA-N 1 3 363.521 2.925 20 0 FFADHO Brc1cccc([C@H]2CN(CC[C@@H]3CCCC[NH2+]3)CCN2)c1 ZINC001235796684 1037749595 /nfs/dbraw/zinc/74/95/95/1037749595.db2.gz UPAUYROCEYVWHY-DLBZAZTESA-N 1 3 352.320 2.928 20 0 FFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001207828449 1037760303 /nfs/dbraw/zinc/76/03/03/1037760303.db2.gz UFDOXXAGKXNSOD-CAOSSQGBSA-N 1 3 373.488 2.618 20 0 FFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001207828449 1037760324 /nfs/dbraw/zinc/76/03/24/1037760324.db2.gz UFDOXXAGKXNSOD-CAOSSQGBSA-N 1 3 373.488 2.618 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC3(C)CCOCC3)CC2)C1 ZINC001207967490 1037902186 /nfs/dbraw/zinc/90/21/86/1037902186.db2.gz RLZZAKTYYBRSEG-QGZVFWFLSA-N 1 3 352.519 2.543 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CC3(C)CCOCC3)CC2)C1 ZINC001207967490 1037902204 /nfs/dbraw/zinc/90/22/04/1037902204.db2.gz RLZZAKTYYBRSEG-QGZVFWFLSA-N 1 3 352.519 2.543 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CC3(C)CCOCC3)CC2)C1 ZINC001207967489 1037903347 /nfs/dbraw/zinc/90/33/47/1037903347.db2.gz RLZZAKTYYBRSEG-KRWDZBQOSA-N 1 3 352.519 2.543 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CC3(C)CCOCC3)CC2)C1 ZINC001207967489 1037903357 /nfs/dbraw/zinc/90/33/57/1037903357.db2.gz RLZZAKTYYBRSEG-KRWDZBQOSA-N 1 3 352.519 2.543 20 0 FFADHO c1ccc2c(c1)CCN1CCN(Cc3cccc(N4CC[NH2+]CC4)c3)C[C@@H]21 ZINC001236059326 1037909634 /nfs/dbraw/zinc/90/96/34/1037909634.db2.gz FDLZFJUEYSDGRK-QHCPKHFHSA-N 1 3 362.521 2.511 20 0 FFADHO Fc1ccc(S[C@H]2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)C2)cc1 ZINC001236224905 1037993187 /nfs/dbraw/zinc/99/31/87/1037993187.db2.gz YMIRRJMCEZZDEA-IBGZPJMESA-N 1 3 372.513 2.997 20 0 FFADHO C[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092199 1038026358 /nfs/dbraw/zinc/02/63/58/1038026358.db2.gz LTTDBEJOXRTDEM-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO Brc1cc2c(cc1CN1C[C@@H]3CC[NH2+]CC[C@@H]3C1)OCO2 ZINC001236316083 1038042759 /nfs/dbraw/zinc/04/27/59/1038042759.db2.gz OTOWHIXGXZLNAY-TXEJJXNPSA-N 1 3 353.260 2.609 20 0 FFADHO Cn1nc2ccc(Br)cc2c1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321201 1038045149 /nfs/dbraw/zinc/04/51/49/1038045149.db2.gz YFQADJYONWYDKR-BETUJISGSA-N 1 3 363.303 2.767 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CCN1C ZINC001255630715 1038089325 /nfs/dbraw/zinc/08/93/25/1038089325.db2.gz QJXJLNJBMYDVKG-YOEHRIQHSA-N 1 3 352.910 2.506 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)CCCC1 ZINC001208185623 1038119985 /nfs/dbraw/zinc/11/99/85/1038119985.db2.gz CHZPYXNQHJDREP-LJQANCHMSA-N 1 3 370.541 2.642 20 0 FFADHO CN(C)CC1(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)CCCC1 ZINC001208188638 1038125772 /nfs/dbraw/zinc/12/57/72/1038125772.db2.gz LVVGLBYCGAVISE-MRXNPFEDSA-N 1 3 359.489 2.978 20 0 FFADHO CN(C)CC1(C[N@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)CCCC1 ZINC001208188638 1038125783 /nfs/dbraw/zinc/12/57/83/1038125783.db2.gz LVVGLBYCGAVISE-MRXNPFEDSA-N 1 3 359.489 2.978 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cccc3ncsc31)CC2 ZINC001278902554 1038291536 /nfs/dbraw/zinc/29/15/36/1038291536.db2.gz NVSLLTKBJDLXIT-UHFFFAOYSA-N 1 3 372.538 2.672 20 0 FFADHO Cc1cccc(O[C@@H]2CCCN(Cc3ccccc3N3CC[NH2+]CC3)C2)n1 ZINC001236846523 1038308439 /nfs/dbraw/zinc/30/84/39/1038308439.db2.gz DWBPJIBXZZLQFZ-HXUWFJFHSA-N 1 3 366.509 2.843 20 0 FFADHO [NH3+]C1(Cc2ccc(F)cc2)CCN(C2CCN(c3ncccn3)CC2)CC1 ZINC001256051207 1038342954 /nfs/dbraw/zinc/34/29/54/1038342954.db2.gz GTGPMSZDDLUFTJ-UHFFFAOYSA-N 1 3 369.488 2.621 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001256091435 1038377308 /nfs/dbraw/zinc/37/73/08/1038377308.db2.gz RIANRNGVCJNSCL-OALUTQOASA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001208530487 1038389031 /nfs/dbraw/zinc/38/90/31/1038389031.db2.gz XWCGYBCOGXWNQO-RBSFLKMASA-N 1 3 351.457 2.742 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)C1 ZINC001208605876 1038442996 /nfs/dbraw/zinc/44/29/96/1038442996.db2.gz BRGVWSVSPBPQGG-QHAWAJNXSA-N 1 3 359.514 2.564 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)C1 ZINC001208605876 1038443004 /nfs/dbraw/zinc/44/30/04/1038443004.db2.gz BRGVWSVSPBPQGG-QHAWAJNXSA-N 1 3 359.514 2.564 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)C1 ZINC001208607428 1038443665 /nfs/dbraw/zinc/44/36/65/1038443665.db2.gz KBMKGGAKBICSIR-QHAWAJNXSA-N 1 3 359.514 2.564 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)C1 ZINC001208607428 1038443669 /nfs/dbraw/zinc/44/36/69/1038443669.db2.gz KBMKGGAKBICSIR-QHAWAJNXSA-N 1 3 359.514 2.564 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)CC1 ZINC001256558039 1038559285 /nfs/dbraw/zinc/55/92/85/1038559285.db2.gz GNHRMLOZVUMYEX-GOSISDBHSA-N 1 3 369.513 2.696 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935440 1038594646 /nfs/dbraw/zinc/59/46/46/1038594646.db2.gz JKDHLFUCCCSGBD-VQTJNVASSA-N 1 3 372.509 2.743 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935440 1038594648 /nfs/dbraw/zinc/59/46/48/1038594648.db2.gz JKDHLFUCCCSGBD-VQTJNVASSA-N 1 3 372.509 2.743 20 0 FFADHO COCCCCN1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208948963 1038600283 /nfs/dbraw/zinc/60/02/83/1038600283.db2.gz ULMKPHAUSWPUGF-QFIPXVFZSA-N 1 3 359.558 2.943 20 0 FFADHO COCCCCN1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948963 1038600289 /nfs/dbraw/zinc/60/02/89/1038600289.db2.gz ULMKPHAUSWPUGF-QFIPXVFZSA-N 1 3 359.558 2.943 20 0 FFADHO c1ccc(CN2CC[C@H](C[NH+]3CCC(Oc4ncccn4)CC3)C2)cc1 ZINC001208950596 1038601948 /nfs/dbraw/zinc/60/19/48/1038601948.db2.gz VBQINIXGZCVGGI-LJQANCHMSA-N 1 3 352.482 2.842 20 0 FFADHO C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(CCN3CCOCC3)C[C@H]21 ZINC001209289410 1038744052 /nfs/dbraw/zinc/74/40/52/1038744052.db2.gz BOTZSJSHWAHTHB-MISYRCLQSA-N 1 3 363.571 2.613 20 0 FFADHO C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(CCN3CCOCC3)C[C@H]21 ZINC001209289410 1038744057 /nfs/dbraw/zinc/74/40/57/1038744057.db2.gz BOTZSJSHWAHTHB-MISYRCLQSA-N 1 3 363.571 2.613 20 0 FFADHO c1cc(N2CCOCC2)c(-c2ccc(COC3CC[NH2+]CC3)cc2)cn1 ZINC001245409951 1038995414 /nfs/dbraw/zinc/99/54/14/1038995414.db2.gz KKPJLQOEWYVXEY-UHFFFAOYSA-N 1 3 353.466 2.854 20 0 FFADHO Nc1ccncc1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001209728092 1039163356 /nfs/dbraw/zinc/16/33/56/1039163356.db2.gz CTRDPQCOBFHJSF-UHFFFAOYSA-N 1 3 362.271 2.740 20 0 FFADHO CCOC(=O)CCC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001258102322 1039173116 /nfs/dbraw/zinc/17/31/16/1039173116.db2.gz CXUOLYBWUHVXRV-SFHVURJKSA-N 1 3 361.530 2.646 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNCC[C@@H]2CCCC[NH2+]2)cc1 ZINC001246003443 1039184144 /nfs/dbraw/zinc/18/41/44/1039184144.db2.gz QVLHKRBMLPQRDL-OALUTQOASA-N 1 3 362.514 2.624 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(-c3ccccc3)nc1)C2 ZINC001278635719 1039186637 /nfs/dbraw/zinc/18/66/37/1039186637.db2.gz TZNPAHGCFWJDHE-CTNGQTDRSA-N 1 3 350.510 2.816 20 0 FFADHO O[C@H](CNC1(CC2CCC2)CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001246010793 1039188427 /nfs/dbraw/zinc/18/84/27/1039188427.db2.gz OQSULRMOFXJDBS-QGZVFWFLSA-N 1 3 352.906 2.982 20 0 FFADHO O[C@H](C[NH2+]C1(CC2CCC2)CCNCC1)COc1ccc(Cl)cc1 ZINC001246010793 1039188432 /nfs/dbraw/zinc/18/84/32/1039188432.db2.gz OQSULRMOFXJDBS-QGZVFWFLSA-N 1 3 352.906 2.982 20 0 FFADHO CCC1([NH2+]C[C@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)CCNCC1 ZINC001246007068 1039189605 /nfs/dbraw/zinc/18/96/05/1039189605.db2.gz MYBUUKSCWDXEGX-SFHVURJKSA-N 1 3 362.514 2.624 20 0 FFADHO CCC1(NC[C@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)CC[NH2+]CC1 ZINC001246007068 1039189610 /nfs/dbraw/zinc/18/96/10/1039189610.db2.gz MYBUUKSCWDXEGX-SFHVURJKSA-N 1 3 362.514 2.624 20 0 FFADHO C[C@H]1CN(C[C@H](O)COc2cccc3[nH]c4ccccc4c32)C[C@H]1C[NH3+] ZINC001246014353 1039190751 /nfs/dbraw/zinc/19/07/51/1039190751.db2.gz BCGYTUYWIKXZHF-XHSDSOJGSA-N 1 3 353.466 2.587 20 0 FFADHO C[C@@H]1CC[C@@H](C[NH3+])CN1C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001246028235 1039203278 /nfs/dbraw/zinc/20/32/78/1039203278.db2.gz AYBLULFXRHVCJA-JTDSTZFVSA-N 1 3 362.514 2.561 20 0 FFADHO O[C@]1(C[NH+]2CCC3(COc4ccc(C(F)(F)F)cc43)CC2)CCCNC1 ZINC001246045310 1039214838 /nfs/dbraw/zinc/21/48/38/1039214838.db2.gz IVSFZDLRQHAXET-GOSISDBHSA-N 1 3 370.415 2.546 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001246055610 1039225806 /nfs/dbraw/zinc/22/58/06/1039225806.db2.gz MGXGJTZYJVHSTM-PNHOKKKMSA-N 1 3 364.411 2.824 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001246055610 1039225823 /nfs/dbraw/zinc/22/58/23/1039225823.db2.gz MGXGJTZYJVHSTM-PNHOKKKMSA-N 1 3 364.411 2.824 20 0 FFADHO CC(C)(C(N)=O)C1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258147734 1039229558 /nfs/dbraw/zinc/22/95/58/1039229558.db2.gz QIQYQZVJJSVRPZ-UHFFFAOYSA-N 1 3 357.542 2.917 20 0 FFADHO c1ccc(C[C@H]2C[C@@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CCN2)cc1 ZINC001246171480 1039263981 /nfs/dbraw/zinc/26/39/81/1039263981.db2.gz QIUOYHQDTPHWJS-VXKWHMMOSA-N 1 3 371.569 2.974 20 0 FFADHO C[NH2+]C1CCC(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCCN2)CC1 ZINC001246258476 1039289538 /nfs/dbraw/zinc/28/95/38/1039289538.db2.gz CXFOPDRTVXVUPI-OAHAVBBTSA-N 1 3 359.514 2.566 20 0 FFADHO Fc1cccc(CC2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246467814 1039363676 /nfs/dbraw/zinc/36/36/76/1039363676.db2.gz UUDGFNLUAVEDMU-CVEARBPZSA-N 1 3 359.411 2.763 20 0 FFADHO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246490363 1039367013 /nfs/dbraw/zinc/36/70/13/1039367013.db2.gz NHBSFLYQBQRWMJ-NJYVYQBISA-N 1 3 359.558 2.686 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1[C@H]1CCc3c(C)cccc3C1)CC[NH2+]CC2 ZINC001246606300 1039413320 /nfs/dbraw/zinc/41/33/20/1039413320.db2.gz XRQRRCLGCQAVNS-AZUAARDMSA-N 1 3 356.510 2.860 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](C3CCC4(CCOCC4)CC3)C[C@@H]1CNCCC2 ZINC001246610181 1039414980 /nfs/dbraw/zinc/41/49/80/1039414980.db2.gz QCYMVHVALVNFLS-UWJYYQICSA-N 1 3 364.530 2.591 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](C3CCC4(CCOCC4)CC3)C[C@@H]1CNCCC2 ZINC001246610181 1039414984 /nfs/dbraw/zinc/41/49/84/1039414984.db2.gz QCYMVHVALVNFLS-UWJYYQICSA-N 1 3 364.530 2.591 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1C ZINC001210179138 1039419167 /nfs/dbraw/zinc/41/91/67/1039419167.db2.gz JESFXZTWPMGPMP-AQNXPRMDSA-N 1 3 367.578 2.893 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1C ZINC001210179138 1039419176 /nfs/dbraw/zinc/41/91/76/1039419176.db2.gz JESFXZTWPMGPMP-AQNXPRMDSA-N 1 3 367.578 2.893 20 0 FFADHO CCc1ccc(C[C@@H](C)N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246656100 1039428074 /nfs/dbraw/zinc/42/80/74/1039428074.db2.gz IMKFTVYZNJQEKE-GOSISDBHSA-N 1 3 370.541 2.654 20 0 FFADHO C[C@@H]1C[C@@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)CC[NH2+]1 ZINC001246754360 1039465604 /nfs/dbraw/zinc/46/56/04/1039465604.db2.gz IIEDQWAFCVCQAZ-NEWSRXKRSA-N 1 3 364.484 2.755 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C2CC[NH2+]CC2)C3)n1 ZINC001246753543 1039465806 /nfs/dbraw/zinc/46/58/06/1039465806.db2.gz NPVKSRQMVHCWMG-LEWJYISDSA-N 1 3 359.514 2.530 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](C2CCNCC2)C3)n1 ZINC001246753543 1039465808 /nfs/dbraw/zinc/46/58/08/1039465808.db2.gz NPVKSRQMVHCWMG-LEWJYISDSA-N 1 3 359.514 2.530 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](C2CCNCC2)C3)n1 ZINC001246753543 1039465809 /nfs/dbraw/zinc/46/58/09/1039465809.db2.gz NPVKSRQMVHCWMG-LEWJYISDSA-N 1 3 359.514 2.530 20 0 FFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CCN1 ZINC001246760303 1039469263 /nfs/dbraw/zinc/46/92/63/1039469263.db2.gz VKLZKCWXGWHSRO-ZXJMQGOQSA-N 1 3 361.555 2.505 20 0 FFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CCN1 ZINC001246760303 1039469278 /nfs/dbraw/zinc/46/92/78/1039469278.db2.gz VKLZKCWXGWHSRO-ZXJMQGOQSA-N 1 3 361.555 2.505 20 0 FFADHO Cc1cc(N2CCN(C3CCN(C(=O)c4ccccc4)CC3)CC2)cc[nH+]1 ZINC001258648391 1039475099 /nfs/dbraw/zinc/47/50/99/1039475099.db2.gz YAGGFQUMVROGTE-UHFFFAOYSA-N 1 3 364.493 2.817 20 0 FFADHO CC[C@@H]1C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806999 1039486309 /nfs/dbraw/zinc/48/63/09/1039486309.db2.gz PVYCPVMHEYWDRK-IKGGRYGDSA-N 1 3 352.320 2.926 20 0 FFADHO C[C@@H]1CC(N2CCN[C@H](c3cccc(Br)c3)C2)C[C@@H](C)[NH2+]1 ZINC001246804785 1039487343 /nfs/dbraw/zinc/48/73/43/1039487343.db2.gz GUFFGBXZKDOAJF-XNJGSVPQSA-N 1 3 352.320 2.924 20 0 FFADHO Brc1cccc([C@H]2CN([C@H]3CC4CC[NH+](CC4)C3)CCN2)c1 ZINC001246808305 1039489211 /nfs/dbraw/zinc/48/92/11/1039489211.db2.gz WIZJSBSGBIYAMP-ZWKOTPCHSA-N 1 3 364.331 2.880 20 0 FFADHO Brc1cccc([C@@H]2CN([C@@H]3CC4CC[NH+](CC4)C3)CCN2)c1 ZINC001246808300 1039489333 /nfs/dbraw/zinc/48/93/33/1039489333.db2.gz WIZJSBSGBIYAMP-MSOLQXFVSA-N 1 3 364.331 2.880 20 0 FFADHO CC[NH+]1CCC(CC2CCN([C@@H]3CN[C@@](CC)(C(=O)OC)C3)CC2)CC1 ZINC001246901291 1039524865 /nfs/dbraw/zinc/52/48/65/1039524865.db2.gz KZBVDUALFJNULX-PZJWPPBQSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCOC[C@@H](O)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001252511108 1039569563 /nfs/dbraw/zinc/56/95/63/1039569563.db2.gz UYNPHFNKRVNPPR-IBGZPJMESA-N 1 3 350.503 2.745 20 0 FFADHO COc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001252887669 1039759921 /nfs/dbraw/zinc/75/99/21/1039759921.db2.gz HVJMAOCJVQROBM-OTWHNJEPSA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001252887669 1039759938 /nfs/dbraw/zinc/75/99/38/1039759938.db2.gz HVJMAOCJVQROBM-OTWHNJEPSA-N 1 3 362.514 2.774 20 0 FFADHO c1ccc(COc2cccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)c2)cc1 ZINC001247828726 1039976011 /nfs/dbraw/zinc/97/60/11/1039976011.db2.gz FLHALXLCMLDRLO-SFHVURJKSA-N 1 3 362.433 2.592 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC001253211257 1040046917 /nfs/dbraw/zinc/04/69/17/1040046917.db2.gz VECYRBKYFWNNJH-MRXNPFEDSA-N 1 3 357.539 2.506 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+]C1CCN(Cc2cccc(Cl)c2)CC1 ZINC001253212048 1040048963 /nfs/dbraw/zinc/04/89/63/1040048963.db2.gz LKHLYKOJGTWAAR-LJQANCHMSA-N 1 3 353.938 2.597 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CSc2ccc(Br)cc2C1 ZINC001253217545 1040053066 /nfs/dbraw/zinc/05/30/66/1040053066.db2.gz YMQRKKLFTGLFCB-LSDHHAIUSA-N 1 3 373.360 2.758 20 0 FFADHO [NH3+][C@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1ccc(Cl)cc1 ZINC001248195689 1040166815 /nfs/dbraw/zinc/16/68/15/1040166815.db2.gz SBXJAKZDVGFVKH-CQSZACIVSA-N 1 3 355.829 2.673 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001253426600 1040173253 /nfs/dbraw/zinc/17/32/53/1040173253.db2.gz KPIAZGOPQVRZLN-UGKGYDQZSA-N 1 3 374.525 2.529 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001253426600 1040173259 /nfs/dbraw/zinc/17/32/59/1040173259.db2.gz KPIAZGOPQVRZLN-UGKGYDQZSA-N 1 3 374.525 2.529 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213214055 1040342602 /nfs/dbraw/zinc/34/26/02/1040342602.db2.gz YCFJMBIBWHGOOG-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO Cn1c(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cccc1=O ZINC001248808210 1040442781 /nfs/dbraw/zinc/44/27/81/1040442781.db2.gz WGWAFNIYCNXTNP-UHFFFAOYSA-N 1 3 351.494 2.873 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326033 1040453060 /nfs/dbraw/zinc/45/30/60/1040453060.db2.gz SUJMJWDOXZUFFE-VAMGGRTRSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326033 1040453068 /nfs/dbraw/zinc/45/30/68/1040453068.db2.gz SUJMJWDOXZUFFE-VAMGGRTRSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001213326033 1040453078 /nfs/dbraw/zinc/45/30/78/1040453078.db2.gz SUJMJWDOXZUFFE-VAMGGRTRSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001213326033 1040453086 /nfs/dbraw/zinc/45/30/86/1040453086.db2.gz SUJMJWDOXZUFFE-VAMGGRTRSA-N 1 3 365.562 2.789 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C(C)C)C[C@H]1C ZINC001254030313 1040532825 /nfs/dbraw/zinc/53/28/25/1040532825.db2.gz MELUXXXCGBVHGK-QRVBRYPASA-N 1 3 364.530 2.922 20 0 FFADHO Cc1nc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)no1 ZINC001254038976 1040542358 /nfs/dbraw/zinc/54/23/58/1040542358.db2.gz UUJSBAHVXQXBGL-UHFFFAOYSA-N 1 3 370.497 2.585 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435160 1040552356 /nfs/dbraw/zinc/55/23/56/1040552356.db2.gz SGGCZQYIGJYFAV-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)C1 ZINC001254227989 1040625116 /nfs/dbraw/zinc/62/51/16/1040625116.db2.gz JBVOZDMKIQDJFD-ZACQAIPSSA-N 1 3 367.534 2.870 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001254517787 1040762598 /nfs/dbraw/zinc/76/25/98/1040762598.db2.gz JRMAJPDPEPJTKD-ZJOUEHCJSA-N 1 3 359.514 2.816 20 0 FFADHO C[N@H+]1CCC[C@H](N2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001254517787 1040762613 /nfs/dbraw/zinc/76/26/13/1040762613.db2.gz JRMAJPDPEPJTKD-ZJOUEHCJSA-N 1 3 359.514 2.816 20 0 FFADHO CN1CCC[C@H]([NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)CC1 ZINC001254522017 1040772731 /nfs/dbraw/zinc/77/27/31/1040772731.db2.gz LQGVMWVZXOGSSM-FQEVSTJZSA-N 1 3 370.541 2.884 20 0 FFADHO CCC[NH+]1CCC(N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254683659 1040878429 /nfs/dbraw/zinc/87/84/29/1040878429.db2.gz YWLOJXVKHZCLDX-INIZCTEOSA-N 1 3 369.575 2.945 20 0 FFADHO CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974290 1041130179 /nfs/dbraw/zinc/13/01/79/1041130179.db2.gz RBMOSFKFPNBPOS-WOJBJXKFSA-N 1 3 363.546 2.568 20 0 FFADHO FC(F)(F)c1nn([C@H]2CC[N@H+](Cc3ccccc3)C2)c2c1CNCC2 ZINC001255119650 1041153711 /nfs/dbraw/zinc/15/37/11/1041153711.db2.gz YCEGOHNPSSFJQG-AWEZNQCLSA-N 1 3 350.388 2.995 20 0 FFADHO FC(F)(F)c1nn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2c1CNCC2 ZINC001255119650 1041153714 /nfs/dbraw/zinc/15/37/14/1041153714.db2.gz YCEGOHNPSSFJQG-AWEZNQCLSA-N 1 3 350.388 2.995 20 0 FFADHO c1c[nH]c(C[N@H+]2CCC3(C2)CCN(Cc2c[nH]c4nccnc24)CC3)c1 ZINC001278848175 1041188665 /nfs/dbraw/zinc/18/86/65/1041188665.db2.gz MBXVIKZTGADWMS-UHFFFAOYSA-N 1 3 350.470 2.726 20 0 FFADHO c1c[nH]c(C[N@@H+]2CCC3(C2)CCN(Cc2c[nH]c4nccnc24)CC3)c1 ZINC001278848175 1041188670 /nfs/dbraw/zinc/18/86/70/1041188670.db2.gz MBXVIKZTGADWMS-UHFFFAOYSA-N 1 3 350.470 2.726 20 0 FFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccn3)CC1)C2 ZINC001255197372 1041194164 /nfs/dbraw/zinc/19/41/64/1041194164.db2.gz WCIBMXRBOPSSFC-BWTSREIZSA-N 1 3 372.513 2.569 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC001215001664 1041640941 /nfs/dbraw/zinc/64/09/41/1041640941.db2.gz NHYVGWCQOHDARI-VQIMIIECSA-N 1 3 368.525 2.902 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001215474459 1041797882 /nfs/dbraw/zinc/79/78/82/1041797882.db2.gz STYJGJALLUBZEB-NSISKUIASA-N 1 3 363.521 2.781 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1)[NH+](CC)CC ZINC001215516657 1041811698 /nfs/dbraw/zinc/81/16/98/1041811698.db2.gz PUKAGHJDRWKXCQ-MCIONIFRSA-N 1 3 350.334 2.862 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001215540866 1041820480 /nfs/dbraw/zinc/82/04/80/1041820480.db2.gz SNNKILAIYCOKBC-QKNQBKEWSA-N 1 3 357.542 2.788 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](CCOC)c2ccccc2)C1 ZINC001215999062 1041927454 /nfs/dbraw/zinc/92/74/54/1041927454.db2.gz NKSTVPKSYXOINR-MISYRCLQSA-N 1 3 361.530 2.543 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001215999265 1041928020 /nfs/dbraw/zinc/92/80/20/1041928020.db2.gz XPZWAVAPZXSXDJ-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H](NCc2cccnc2)C1 ZINC001216349069 1042006062 /nfs/dbraw/zinc/00/60/62/1042006062.db2.gz SBUOUZZETVQOTE-UYAOXDASSA-N 1 3 360.546 2.920 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001216464589 1042032145 /nfs/dbraw/zinc/03/21/45/1042032145.db2.gz QVUZMULXKJFDOA-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](N)C2CCCCCC2)cc1 ZINC001263097598 1042100943 /nfs/dbraw/zinc/10/09/43/1042100943.db2.gz DAKZDDFUIDHZPX-IBGZPJMESA-N 1 3 360.502 2.813 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C)s1 ZINC001216772673 1042118678 /nfs/dbraw/zinc/11/86/78/1042118678.db2.gz IVVRESZFZOIIDU-CRAIPNDOSA-N 1 3 364.559 2.654 20 0 FFADHO CCC1([NH+]2CCCCC2)CCN(C(=O)c2cc3n(n2)CCC[C@H]3N)CC1 ZINC001263181573 1042154271 /nfs/dbraw/zinc/15/42/71/1042154271.db2.gz PXOGNUWNXDLTHM-MRXNPFEDSA-N 1 3 359.518 2.547 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1)N(C)C ZINC001264486996 1042693544 /nfs/dbraw/zinc/69/35/44/1042693544.db2.gz NPDUMYZJTCRJNR-POZUXBRTSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1conc1C)N(C)C ZINC001264576346 1042725511 /nfs/dbraw/zinc/72/55/11/1042725511.db2.gz LGBQDGVZKAFDTR-AYOQOUSVSA-N 1 3 364.534 2.820 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCN1CCOC1CCC1 ZINC001264712545 1042795049 /nfs/dbraw/zinc/79/50/49/1042795049.db2.gz GJJVLWZILMJXTE-MJGOQNOKSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)[C@@H]1C)N(C)C ZINC001264728562 1042808615 /nfs/dbraw/zinc/80/86/15/1042808615.db2.gz NJFMTEVGZPUSDA-PVAVHDDUSA-N 1 3 359.505 2.977 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)[C@@H]1C)N(C)C ZINC001264728562 1042808617 /nfs/dbraw/zinc/80/86/17/1042808617.db2.gz NJFMTEVGZPUSDA-PVAVHDDUSA-N 1 3 359.505 2.977 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]2CC1 ZINC001279141512 1042916495 /nfs/dbraw/zinc/91/64/95/1042916495.db2.gz UPJCQVFXWYINIZ-HDICACEKSA-N 1 3 365.468 2.856 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]2CC1 ZINC001279141512 1042916498 /nfs/dbraw/zinc/91/64/98/1042916498.db2.gz UPJCQVFXWYINIZ-HDICACEKSA-N 1 3 365.468 2.856 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC001279174339 1042932114 /nfs/dbraw/zinc/93/21/14/1042932114.db2.gz VYTKXRIEHQXDSJ-NRFANRHFSA-N 1 3 359.514 2.655 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC001279174339 1042932116 /nfs/dbraw/zinc/93/21/16/1042932116.db2.gz VYTKXRIEHQXDSJ-NRFANRHFSA-N 1 3 359.514 2.655 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001279232444 1042957377 /nfs/dbraw/zinc/95/73/77/1042957377.db2.gz BYRDWYHPNLHKPB-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CN(C)CC[N@H+]1CCC2(CN(Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001279232444 1042957382 /nfs/dbraw/zinc/95/73/82/1042957382.db2.gz BYRDWYHPNLHKPB-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NCc3ccc4scnc4c3)(C1)CCC2 ZINC001279251759 1042967177 /nfs/dbraw/zinc/96/71/77/1042967177.db2.gz YNDFLDMUOFATBU-UXHICEINSA-N 1 3 372.538 2.909 20 0 FFADHO COC(=O)c1ccnc(CN2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279342934 1043013580 /nfs/dbraw/zinc/01/35/80/1043013580.db2.gz DYWIYYGCONPXPQ-HDICACEKSA-N 1 3 357.498 2.955 20 0 FFADHO COC(=O)c1ccnc(CN2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279342934 1043013582 /nfs/dbraw/zinc/01/35/82/1043013582.db2.gz DYWIYYGCONPXPQ-HDICACEKSA-N 1 3 357.498 2.955 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c(F)cn1 ZINC001279357296 1043024696 /nfs/dbraw/zinc/02/46/96/1043024696.db2.gz WIOXFVCPSYYOIF-IYBDPMFKSA-N 1 3 358.461 2.901 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c(F)cn1 ZINC001279357296 1043024702 /nfs/dbraw/zinc/02/47/02/1043024702.db2.gz WIOXFVCPSYYOIF-IYBDPMFKSA-N 1 3 358.461 2.901 20 0 FFADHO Brc1ccc(C2=CC[N@H+](CC[C@H]3CNCCO3)CC2)cc1 ZINC001237204147 1043051691 /nfs/dbraw/zinc/05/16/91/1043051691.db2.gz LBMAHZYJMWATFU-KRWDZBQOSA-N 1 3 351.288 2.917 20 0 FFADHO Brc1ccc(C2=CC[N@@H+](CC[C@H]3CNCCO3)CC2)cc1 ZINC001237204147 1043051702 /nfs/dbraw/zinc/05/17/02/1043051702.db2.gz LBMAHZYJMWATFU-KRWDZBQOSA-N 1 3 351.288 2.917 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2scnc2C)CC3)n(C)n1 ZINC001279408203 1043069195 /nfs/dbraw/zinc/06/91/95/1043069195.db2.gz APOXDNCSNIDXQF-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO COc1cnc(CN2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)cn1 ZINC001279444142 1043120558 /nfs/dbraw/zinc/12/05/58/1043120558.db2.gz QGVJXSASHJSDPE-IYBDPMFKSA-N 1 3 373.526 2.594 20 0 FFADHO COc1cnc(CN2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)cn1 ZINC001279444142 1043120562 /nfs/dbraw/zinc/12/05/62/1043120562.db2.gz QGVJXSASHJSDPE-IYBDPMFKSA-N 1 3 373.526 2.594 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001279475037 1043158575 /nfs/dbraw/zinc/15/85/75/1043158575.db2.gz CVPDITNYHGVMDB-UHFFFAOYSA-N 1 3 352.482 2.833 20 0 FFADHO CCn1ccnc1CN1C[C@@H]2CCN(CC3(C[NH+](C)C)CCCC3)[C@@H]2C1 ZINC001279493140 1043179948 /nfs/dbraw/zinc/17/99/48/1043179948.db2.gz XJQZGSHCFYYQKM-RBUKOAKNSA-N 1 3 359.562 2.531 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1c[nH]nc1-c1cccs1)CC2 ZINC001279526900 1043227691 /nfs/dbraw/zinc/22/76/91/1043227691.db2.gz LNQMRKNYKPUPKJ-UHFFFAOYSA-N 1 3 373.570 2.988 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1c[nH]nc1-c1cccs1)CC2 ZINC001279526900 1043227694 /nfs/dbraw/zinc/22/76/94/1043227694.db2.gz LNQMRKNYKPUPKJ-UHFFFAOYSA-N 1 3 373.570 2.988 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cn(C)nc3C3CC3)CC2)C1 ZINC001279553743 1043249324 /nfs/dbraw/zinc/24/93/24/1043249324.db2.gz CTXXLLCOLALETE-UHFFFAOYSA-N 1 3 359.562 2.537 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cn(C)nc3C3CC3)CC2)C1 ZINC001279553743 1043249336 /nfs/dbraw/zinc/24/93/36/1043249336.db2.gz CTXXLLCOLALETE-UHFFFAOYSA-N 1 3 359.562 2.537 20 0 FFADHO CC(C)(C)c1n[nH]cc1CN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279600360 1043321346 /nfs/dbraw/zinc/32/13/46/1043321346.db2.gz YEVDKMFOHAVKAI-UHFFFAOYSA-N 1 3 356.518 2.918 20 0 FFADHO CC(C)(C)c1n[nH]cc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279600360 1043321351 /nfs/dbraw/zinc/32/13/51/1043321351.db2.gz YEVDKMFOHAVKAI-UHFFFAOYSA-N 1 3 356.518 2.918 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CC1CC[NH+](C)CC1 ZINC001279608800 1043333699 /nfs/dbraw/zinc/33/36/99/1043333699.db2.gz AWYLYIKNGBXSMG-SESVDKBCSA-N 1 3 351.579 2.930 20 0 FFADHO COc1ccoc1C[NH+]1CCC2(C[C@H](N(C)Cc3ccccn3)CO2)CC1 ZINC001237867117 1043404904 /nfs/dbraw/zinc/40/49/04/1043404904.db2.gz VMQGICDHBZJBTB-SFHVURJKSA-N 1 3 371.481 2.939 20 0 FFADHO CCOc1ncc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1F ZINC001279655427 1043409175 /nfs/dbraw/zinc/40/91/75/1043409175.db2.gz PFVZBVWFDXBSFX-UXHICEINSA-N 1 3 364.509 2.706 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3c[nH]c4ncccc34)CC2)C1 ZINC001279665011 1043427138 /nfs/dbraw/zinc/42/71/38/1043427138.db2.gz IFAFHDJOUGXEQK-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3c[nH]c4ncccc34)CC2)C1 ZINC001279665011 1043427144 /nfs/dbraw/zinc/42/71/44/1043427144.db2.gz IFAFHDJOUGXEQK-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO Cc1c(CN[C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)ccc(F)c1F ZINC001279690677 1043475138 /nfs/dbraw/zinc/47/51/38/1043475138.db2.gz FYDSHBKIIWZOSZ-VQTJNVASSA-N 1 3 365.468 2.886 20 0 FFADHO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001279717482 1043521194 /nfs/dbraw/zinc/52/11/94/1043521194.db2.gz SDYBJIILFFOLMA-KDURUIRLSA-N 1 3 353.514 2.820 20 0 FFADHO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001279717482 1043521204 /nfs/dbraw/zinc/52/12/04/1043521204.db2.gz SDYBJIILFFOLMA-KDURUIRLSA-N 1 3 353.514 2.820 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@H]3CN(Cc4cc(C)sn4)C[C@H]3CC2)n(C)n1 ZINC001279751954 1043587833 /nfs/dbraw/zinc/58/78/33/1043587833.db2.gz WAOCOZSAGQTIBU-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@H]3CN(Cc4cc(C)sn4)C[C@H]3CC2)n(C)n1 ZINC001279751954 1043587839 /nfs/dbraw/zinc/58/78/39/1043587839.db2.gz WAOCOZSAGQTIBU-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO C[NH+]1CCC(NC(=O)C2=CC3(CC2)CCN(Cc2ccc[nH]2)CC3)CC1 ZINC001279772321 1043617935 /nfs/dbraw/zinc/61/79/35/1043617935.db2.gz VRVQAQKKDMOEKI-UHFFFAOYSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001311770370 1043974529 /nfs/dbraw/zinc/97/45/29/1043974529.db2.gz PDALFKFMJKTSLB-CZUORRHYSA-N 1 3 374.451 2.948 20 0 FFADHO Cc1ccccc1CN1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279990315 1044049169 /nfs/dbraw/zinc/04/91/69/1044049169.db2.gz TVJSTAGQZXYYKZ-IBGZPJMESA-N 1 3 373.566 2.513 20 0 FFADHO Cc1cccc(C)c1CN1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001280014225 1044085484 /nfs/dbraw/zinc/08/54/84/1044085484.db2.gz BXOSRGAFFPRJIY-GCJKJVERSA-N 1 3 355.526 2.820 20 0 FFADHO Cc1cccc(C)c1CN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001280014685 1044088335 /nfs/dbraw/zinc/08/83/35/1044088335.db2.gz QYJHRJWULLCDQZ-HXUWFJFHSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1Cl ZINC001239362393 1044104315 /nfs/dbraw/zinc/10/43/15/1044104315.db2.gz KAWZHGJGMPDUSI-AWEZNQCLSA-N 1 3 352.935 2.809 20 0 FFADHO O=C(Nc1ccc2ccccc2n1)[C@]12C[C@H]1CCN2CC1CC[NH2+]CC1 ZINC001280138144 1044281404 /nfs/dbraw/zinc/28/14/04/1044281404.db2.gz UBLQMGHFSVDVNN-UTKZUKDTSA-N 1 3 350.466 2.637 20 0 FFADHO CN1CCN(Cc2ccc(-c3cccc(Cn4cc[nH+]c4N)c3)cc2)CC1 ZINC001240415030 1044336629 /nfs/dbraw/zinc/33/66/29/1044336629.db2.gz JRXUNAZLZLGRPT-UHFFFAOYSA-N 1 3 361.493 2.928 20 0 FFADHO CC(C)(C)CN1CCC([NH+]2CCC(C(=O)N3CCCCO3)CC2)CC1 ZINC001280242277 1044456195 /nfs/dbraw/zinc/45/61/95/1044456195.db2.gz CWLHBSBFCJZHRZ-UHFFFAOYSA-N 1 3 351.535 2.763 20 0 FFADHO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCCN1CCN(C)CC1 ZINC001280246090 1044462060 /nfs/dbraw/zinc/46/20/60/1044462060.db2.gz POSXRSWNFITOHS-FKBYEOEOSA-N 1 3 364.622 2.989 20 0 FFADHO CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCCN1CCN(C)CC1 ZINC001280246090 1044462063 /nfs/dbraw/zinc/46/20/63/1044462063.db2.gz POSXRSWNFITOHS-FKBYEOEOSA-N 1 3 364.622 2.989 20 0 FFADHO CCC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001280258754 1044486609 /nfs/dbraw/zinc/48/66/09/1044486609.db2.gz NDXDWTKUQWACFT-OAHLLOKOSA-N 1 3 359.505 2.980 20 0 FFADHO CCc1ccc(CN2CCC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)CC2)o1 ZINC001280293509 1044561529 /nfs/dbraw/zinc/56/15/29/1044561529.db2.gz UIANUYYDVWUJPJ-IBGZPJMESA-N 1 3 359.514 2.655 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC001319087087 1045018994 /nfs/dbraw/zinc/01/89/94/1045018994.db2.gz UITZWEHZKXPNFO-HOJAQTOUSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC001319087087 1045019009 /nfs/dbraw/zinc/01/90/09/1045019009.db2.gz UITZWEHZKXPNFO-HOJAQTOUSA-N 1 3 356.514 2.529 20 0 FFADHO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(CN(C)C2CC2)cn1 ZINC001244286532 1045122568 /nfs/dbraw/zinc/12/25/68/1045122568.db2.gz ZLIHUXKBYOZUAI-UHFFFAOYSA-N 1 3 352.482 2.761 20 0 FFADHO Cc1ccccc1C(F)(F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001320365117 1045396858 /nfs/dbraw/zinc/39/68/58/1045396858.db2.gz IESIDNROYYRZSH-UHFFFAOYSA-N 1 3 365.468 2.762 20 0 FFADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@H](C)C1 ZINC001323395500 1045574865 /nfs/dbraw/zinc/57/48/65/1045574865.db2.gz BRULTCGOMPWEOB-CZUORRHYSA-N 1 3 357.420 2.755 20 0 FFADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@H](C)C1 ZINC001323395500 1045574873 /nfs/dbraw/zinc/57/48/73/1045574873.db2.gz BRULTCGOMPWEOB-CZUORRHYSA-N 1 3 357.420 2.755 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@H](C)c3ccc(F)c(F)c3)CC2)CC[N@@H+]1C ZINC001323445247 1045592268 /nfs/dbraw/zinc/59/22/68/1045592268.db2.gz VWYRNJDHKJPINJ-QIIPPGSGSA-N 1 3 365.468 2.995 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@H](C)c3ccc(F)c(F)c3)CC2)CC[N@H+]1C ZINC001323445247 1045592279 /nfs/dbraw/zinc/59/22/79/1045592279.db2.gz VWYRNJDHKJPINJ-QIIPPGSGSA-N 1 3 365.468 2.995 20 0 FFADHO C[C@@H]1CN(Cc2ccc(-c3cnn(C)c3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001321496244 1045684887 /nfs/dbraw/zinc/68/48/87/1045684887.db2.gz JIKHCBRWJNKWHP-GCJKJVERSA-N 1 3 367.541 2.545 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001326040394 1046738578 /nfs/dbraw/zinc/73/85/78/1046738578.db2.gz WVZBGFYRNQMGRL-APWZRJJASA-N 1 3 352.482 2.804 20 0 FFADHO C[S@](=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC001327253727 1047257668 /nfs/dbraw/zinc/25/76/68/1047257668.db2.gz HOBLVKSQAZVELY-VWLOTQADSA-N 1 3 357.523 2.821 20 0 FFADHO Cn1cc(N2CC[C@H]([NH2+][C@@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)cn1 ZINC001332365943 1048364524 /nfs/dbraw/zinc/36/45/24/1048364524.db2.gz SJKAUPHASQXDED-BURNTYAHSA-N 1 3 365.525 2.642 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@@H]3C[C@H]4C[C@@H](C3)[N@H+](Cc3ccccc3)C4)C2)cn1 ZINC001332365943 1048364537 /nfs/dbraw/zinc/36/45/37/1048364537.db2.gz SJKAUPHASQXDED-BURNTYAHSA-N 1 3 365.525 2.642 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)cn1 ZINC001332365943 1048364553 /nfs/dbraw/zinc/36/45/53/1048364553.db2.gz SJKAUPHASQXDED-BURNTYAHSA-N 1 3 365.525 2.642 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001329252023 1048635318 /nfs/dbraw/zinc/63/53/18/1048635318.db2.gz IVRLBSQEJFXTCU-RLLQIKCJSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001329252023 1048635322 /nfs/dbraw/zinc/63/53/22/1048635322.db2.gz IVRLBSQEJFXTCU-RLLQIKCJSA-N 1 3 356.514 2.702 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC001333588730 1048993802 /nfs/dbraw/zinc/99/38/02/1048993802.db2.gz YKCLSXKRFMQLPJ-ABSDTBQOSA-N 1 3 362.518 2.884 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)N(C)C)cc1 ZINC001333698285 1049063614 /nfs/dbraw/zinc/06/36/14/1049063614.db2.gz UXIMABCJKLEVEX-TUFLPTIASA-N 1 3 372.557 2.969 20 0 FFADHO C[C@]1(CO)CCCN(CC(C[N@@H+]2CCC[C@](C)(CO)C2)C2CCCC2)C1 ZINC001330661070 1049258150 /nfs/dbraw/zinc/25/81/50/1049258150.db2.gz KMVNSRNXQWHGOM-VXKWHMMOSA-N 1 3 366.590 2.982 20 0 FFADHO C[C@]1(CO)CCCN(CC(C[N@H+]2CCC[C@](C)(CO)C2)C2CCCC2)C1 ZINC001330661070 1049258157 /nfs/dbraw/zinc/25/81/57/1049258157.db2.gz KMVNSRNXQWHGOM-VXKWHMMOSA-N 1 3 366.590 2.982 20 0 FFADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001294692837 1049794667 /nfs/dbraw/zinc/79/46/67/1049794667.db2.gz DJLILWZCMNREQG-ZIFCJYIRSA-N 1 3 362.566 2.770 20 0 FFADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001294692837 1049794672 /nfs/dbraw/zinc/79/46/72/1049794672.db2.gz DJLILWZCMNREQG-ZIFCJYIRSA-N 1 3 362.566 2.770 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001340064850 1050473958 /nfs/dbraw/zinc/47/39/58/1050473958.db2.gz WWJXQBACGNYUSI-ZWKOTPCHSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001340064850 1050473962 /nfs/dbraw/zinc/47/39/62/1050473962.db2.gz WWJXQBACGNYUSI-ZWKOTPCHSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)CC1 ZINC001341887179 1050490296 /nfs/dbraw/zinc/49/02/96/1050490296.db2.gz FXVLFDOVSQBGOK-FRTACKCFSA-N 1 3 370.541 2.892 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@]23CC[NH2+][C@H]2CCCC3)CC1 ZINC001340410468 1050804711 /nfs/dbraw/zinc/80/47/11/1050804711.db2.gz UKIWPZAMBBABKR-NBHGPNQESA-N 1 3 356.514 2.646 20 0 FFADHO C[NH+]1CCC(CNC(=O)c2cc3c(s2)CNCC3)(c2ccccc2)CC1 ZINC001342384066 1050978189 /nfs/dbraw/zinc/97/81/89/1050978189.db2.gz LRWPUMGZCXADEF-UHFFFAOYSA-N 1 3 369.534 2.787 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC001301867600 1051007185 /nfs/dbraw/zinc/00/71/85/1051007185.db2.gz NUGMCPDOUAWQLH-YUXAGFNASA-N 1 3 355.526 2.699 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC001301867600 1051007193 /nfs/dbraw/zinc/00/71/93/1051007193.db2.gz NUGMCPDOUAWQLH-YUXAGFNASA-N 1 3 355.526 2.699 20 0 FFADHO Cc1ccccc1[C@@H](N)C(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1 ZINC001342499743 1051102322 /nfs/dbraw/zinc/10/23/22/1051102322.db2.gz QINFBPXXVKFMHT-LJQANCHMSA-N 1 3 363.465 2.977 20 0 FFADHO CC(C)([NH3+])c1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC001343144769 1051767080 /nfs/dbraw/zinc/76/70/80/1051767080.db2.gz YZKFDXSFSQJHGY-UONOGXRCSA-N 1 3 360.376 2.803 20 0 FFADHO CC[C@H](Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305829987 1051956165 /nfs/dbraw/zinc/95/61/65/1051956165.db2.gz UZHUAJIMBZGUSC-GOSISDBHSA-N 1 3 374.577 2.950 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc21 ZINC001343355223 1052180770 /nfs/dbraw/zinc/18/07/70/1052180770.db2.gz DDZBGLPRHXBZPM-GOSISDBHSA-N 1 3 367.497 2.593 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001343438444 1052233085 /nfs/dbraw/zinc/23/30/85/1052233085.db2.gz FUSMFPOAJCPFPF-QGZVFWFLSA-N 1 3 355.507 2.740 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001343438444 1052233091 /nfs/dbraw/zinc/23/30/91/1052233091.db2.gz FUSMFPOAJCPFPF-QGZVFWFLSA-N 1 3 355.507 2.740 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC001542748136 1071293110 /nfs/dbraw/zinc/29/31/10/1071293110.db2.gz MYKRFDHYYOKFEG-IBGZPJMESA-N 1 3 372.557 2.667 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC001542748136 1071293119 /nfs/dbraw/zinc/29/31/19/1071293119.db2.gz MYKRFDHYYOKFEG-IBGZPJMESA-N 1 3 372.557 2.667 20 0 FFADHO Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)ccc1[C@H]1CCCC[NH2+]1 ZINC001343526350 1052284004 /nfs/dbraw/zinc/28/40/04/1052284004.db2.gz NDFQUNLSMYXTDL-GOSISDBHSA-N 1 3 358.530 2.930 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001345345509 1052396201 /nfs/dbraw/zinc/39/62/01/1052396201.db2.gz FVMNZUFPFKWOJI-UHFFFAOYSA-N 1 3 351.494 2.881 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccccc3C[NH3+])CC2)c1 ZINC001343818617 1052435934 /nfs/dbraw/zinc/43/59/34/1052435934.db2.gz ADACOMDBPXKBQA-UHFFFAOYSA-N 1 3 352.482 2.605 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc3cccnc32)c1 ZINC001308245485 1052436962 /nfs/dbraw/zinc/43/69/62/1052436962.db2.gz ZZJGQTDJNLWGDW-UHFFFAOYSA-N 1 3 362.477 2.816 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001345561241 1052511618 /nfs/dbraw/zinc/51/16/18/1052511618.db2.gz UFKLGYOHKPRXGG-NNMXDRDESA-N 1 3 363.461 2.593 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001308936641 1052522075 /nfs/dbraw/zinc/52/20/75/1052522075.db2.gz PYJKWPOICZRHFJ-PWUWZPNHSA-N 1 3 350.425 2.719 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001346724276 1053261515 /nfs/dbraw/zinc/26/15/15/1053261515.db2.gz AUCONFDZJUVVIV-GICSWVMSSA-N 1 3 356.514 2.562 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@]12CC[NH2+]C2)c1ccsc1 ZINC001336726534 1054169992 /nfs/dbraw/zinc/16/99/92/1054169992.db2.gz HIKUTSJZZZPCDY-FUHWJXTLSA-N 1 3 350.532 2.669 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ncccc3C)CC2)CC1 ZINC001336769479 1054210970 /nfs/dbraw/zinc/21/09/70/1054210970.db2.gz ZTDYIPSNFCGSJB-QGZVFWFLSA-N 1 3 358.530 2.764 20 0 FFADHO CC[NH+](CC)CC[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2N)c1ccccc1 ZINC001356500082 1055539107 /nfs/dbraw/zinc/53/91/07/1055539107.db2.gz YDMRYRHDRUEUGD-ZWKOTPCHSA-N 1 3 369.513 2.880 20 0 FFADHO COc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849057573 1055610054 /nfs/dbraw/zinc/61/00/54/1055610054.db2.gz FSGAFDRQMIQZLN-UHFFFAOYSA-N 1 3 352.482 2.974 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CC[N@@H+](C(C)(C)C)C3)c2cc1C ZINC001356609549 1055612560 /nfs/dbraw/zinc/61/25/60/1055612560.db2.gz AOTJDBZPVBONSS-QZTJIDSGSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CC[N@H+](C(C)(C)C)C3)c2cc1C ZINC001356609549 1055612569 /nfs/dbraw/zinc/61/25/69/1055612569.db2.gz AOTJDBZPVBONSS-QZTJIDSGSA-N 1 3 358.530 2.724 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)C1(C2CC[NH2+]CC2)CC1)c1cccc(OC)c1 ZINC001357345559 1055871252 /nfs/dbraw/zinc/87/12/52/1055871252.db2.gz AUNHLVRAHVAFMR-FQEVSTJZSA-N 1 3 373.541 2.974 20 0 FFADHO O=C(N1CCN(c2ccnc3ccccc32)CC1)C12CCC[NH+]1CCC2 ZINC001350957466 1056016658 /nfs/dbraw/zinc/01/66/58/1056016658.db2.gz UMFYIJGENLGNLW-UHFFFAOYSA-N 1 3 350.466 2.512 20 0 FFADHO CN(C(=S)NCCN1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001200418037 1056644534 /nfs/dbraw/zinc/64/45/34/1056644534.db2.gz GRXHLFDOUFENFZ-LJQANCHMSA-N 1 3 360.571 2.553 20 0 FFADHO CN(C(=S)NCCN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001200418037 1056644538 /nfs/dbraw/zinc/64/45/38/1056644538.db2.gz GRXHLFDOUFENFZ-LJQANCHMSA-N 1 3 360.571 2.553 20 0 FFADHO CCc1ccnc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849105638 1056762300 /nfs/dbraw/zinc/76/23/00/1056762300.db2.gz PGYVLOUXYNPMKH-UHFFFAOYSA-N 1 3 351.498 2.923 20 0 FFADHO [NH2+]=C(NCC1(CF)CCOCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849115584 1056769251 /nfs/dbraw/zinc/76/92/51/1056769251.db2.gz ZPQMGBKQHVKDFH-UHFFFAOYSA-N 1 3 362.493 2.531 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)c1 ZINC001300596109 1058936021 /nfs/dbraw/zinc/93/60/21/1058936021.db2.gz IHNWDHVWJDOHTG-UYAOXDASSA-N 1 3 373.541 2.896 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001461323636 1061287896 /nfs/dbraw/zinc/28/78/96/1061287896.db2.gz GFYGDHFDNYVLKN-WBMJQRKESA-N 1 3 367.440 2.642 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001477865542 1061822856 /nfs/dbraw/zinc/82/28/56/1061822856.db2.gz PZLSJXVCDDCYEW-HXUWFJFHSA-N 1 3 367.497 2.921 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001477865542 1061822875 /nfs/dbraw/zinc/82/28/75/1061822875.db2.gz PZLSJXVCDDCYEW-HXUWFJFHSA-N 1 3 367.497 2.921 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC001478063114 1061890568 /nfs/dbraw/zinc/89/05/68/1061890568.db2.gz IFISZYORPFMNJJ-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC001478063114 1061890588 /nfs/dbraw/zinc/89/05/88/1061890588.db2.gz IFISZYORPFMNJJ-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CC1([NH+]2CCCCC2)CCN(C(=O)c2cccc3c2OCCNC3)CC1 ZINC001522392540 1062097657 /nfs/dbraw/zinc/09/76/57/1062097657.db2.gz LLLIGPRHULFMPG-UHFFFAOYSA-N 1 3 357.498 2.649 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)N(C)C)cc1 ZINC001478769601 1062109044 /nfs/dbraw/zinc/10/90/44/1062109044.db2.gz JEDPEYZXTGPPFA-VDGAXYAQSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)N(C)C)cc1 ZINC001478769601 1062109050 /nfs/dbraw/zinc/10/90/50/1062109050.db2.gz JEDPEYZXTGPPFA-VDGAXYAQSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C ZINC001479103983 1062226812 /nfs/dbraw/zinc/22/68/12/1062226812.db2.gz BMCXAQHHIHEAEE-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C ZINC001479103983 1062226834 /nfs/dbraw/zinc/22/68/34/1062226834.db2.gz BMCXAQHHIHEAEE-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC001479157725 1062258715 /nfs/dbraw/zinc/25/87/15/1062258715.db2.gz VJXXNEBQGGHUBI-WOJBJXKFSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)C2)cc1 ZINC001479157725 1062258733 /nfs/dbraw/zinc/25/87/33/1062258733.db2.gz VJXXNEBQGGHUBI-WOJBJXKFSA-N 1 3 358.530 2.693 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001435195668 1062415231 /nfs/dbraw/zinc/41/52/31/1062415231.db2.gz RXWYVHYEAOKJJK-WIYYLYMNSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001435195668 1062415240 /nfs/dbraw/zinc/41/52/40/1062415240.db2.gz RXWYVHYEAOKJJK-WIYYLYMNSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001479475982 1062452509 /nfs/dbraw/zinc/45/25/09/1062452509.db2.gz OENODMHDYRVION-QKLQHJQFSA-N 1 3 353.526 2.874 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC001464645706 1062738949 /nfs/dbraw/zinc/73/89/49/1062738949.db2.gz XYNPBZUSBFOMFE-KRWDZBQOSA-N 1 3 367.484 2.977 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC001464645706 1062738958 /nfs/dbraw/zinc/73/89/58/1062738958.db2.gz XYNPBZUSBFOMFE-KRWDZBQOSA-N 1 3 367.484 2.977 20 0 FFADHO CC(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001524912395 1063047827 /nfs/dbraw/zinc/04/78/27/1063047827.db2.gz MCLVPVPNOUJTER-GOSISDBHSA-N 1 3 362.566 2.664 20 0 FFADHO CC(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001524912395 1063047835 /nfs/dbraw/zinc/04/78/35/1063047835.db2.gz MCLVPVPNOUJTER-GOSISDBHSA-N 1 3 362.566 2.664 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001441190350 1063408182 /nfs/dbraw/zinc/40/81/82/1063408182.db2.gz VLYKRRZABZVUEJ-UHFFFAOYSA-N 1 3 355.526 2.905 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001441316467 1063420608 /nfs/dbraw/zinc/42/06/08/1063420608.db2.gz YKQYPRPNLURTAV-IRXDYDNUSA-N 1 3 353.576 2.585 20 0 FFADHO COc1ccc(Cl)c(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001498549837 1063827787 /nfs/dbraw/zinc/82/77/87/1063827787.db2.gz KGGLXDHFZYEHDQ-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO COc1ccc(Cl)c(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001498549837 1063827795 /nfs/dbraw/zinc/82/77/95/1063827795.db2.gz KGGLXDHFZYEHDQ-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC001469157419 1064100699 /nfs/dbraw/zinc/10/06/99/1064100699.db2.gz KRKCWEKWDDTVSA-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC001469157419 1064100703 /nfs/dbraw/zinc/10/07/03/1064100703.db2.gz KRKCWEKWDDTVSA-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@@H+](C4CC4)C[C@H](C)C3)C2)cc1 ZINC001471145525 1064578022 /nfs/dbraw/zinc/57/80/22/1064578022.db2.gz SBPQATGREJHFTC-AZUAARDMSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@H+](C4CC4)C[C@H](C)C3)C2)cc1 ZINC001471145525 1064578035 /nfs/dbraw/zinc/57/80/35/1064578035.db2.gz SBPQATGREJHFTC-AZUAARDMSA-N 1 3 370.541 2.695 20 0 FFADHO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2nc3c(s2)CNCC3)CC1 ZINC001575152735 1078111023 /nfs/dbraw/zinc/11/10/23/1078111023.db2.gz HMOUGHIPAYZAAT-UHFFFAOYSA-N 1 3 351.516 2.779 20 0 FFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCC2([NH3+])CCOCC2)C1 ZINC001576216553 1078206895 /nfs/dbraw/zinc/20/68/95/1078206895.db2.gz KBUBBNAOOLBTTJ-CVEARBPZSA-N 1 3 355.523 2.510 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001576809180 1078277103 /nfs/dbraw/zinc/27/71/03/1078277103.db2.gz OYXGGUGMIJKHMU-QWFCFKBJSA-N 1 3 358.530 2.586 20 0 FFADHO CCC[C@@H]1CNCCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001577383825 1078346476 /nfs/dbraw/zinc/34/64/76/1078346476.db2.gz QNAQZJWRDUGSFB-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO C[NH2+]CCCn1c(CC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001578698117 1078518936 /nfs/dbraw/zinc/51/89/36/1078518936.db2.gz RKDHLCADEPKHKV-UHFFFAOYSA-N 1 3 362.566 2.541 20 0 FFADHO COC(=O)c1oc([C@H](C)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC001578887494 1078539737 /nfs/dbraw/zinc/53/97/37/1078539737.db2.gz BCJRRGAXEVBUPI-YSVLISHTSA-N 1 3 350.459 2.654 20 0 FFADHO Cc1nnc(N2CCC[C@H]([C@H](C)[NH3+])C2)n1C[C@@H](c1cccs1)N(C)C ZINC001579906474 1078712411 /nfs/dbraw/zinc/71/24/11/1078712411.db2.gz USIGAAKFRSWXFC-BPUTZDHNSA-N 1 3 362.547 2.515 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@@H]4[NH3+])cc3)cc2)CC1 ZINC001550097824 1074143598 /nfs/dbraw/zinc/14/35/98/1074143598.db2.gz HINIMFLDAOBFFO-SFTDATJTSA-N 1 3 364.493 2.895 20 0 FFADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC001550348511 1074222875 /nfs/dbraw/zinc/22/28/75/1074222875.db2.gz ABFDXPJROXCTMH-JOCLIGHLSA-N 1 3 369.513 2.833 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@@H]1C(C)C ZINC001550422818 1074260937 /nfs/dbraw/zinc/26/09/37/1074260937.db2.gz DGNRBRULXIMQPR-XWUOBKMESA-N 1 3 369.509 2.900 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@@H]1C(C)C ZINC001550422818 1074260939 /nfs/dbraw/zinc/26/09/39/1074260939.db2.gz DGNRBRULXIMQPR-XWUOBKMESA-N 1 3 369.509 2.900 20 0 FFADHO O=C1CC[C@H](NCc2ccc(Cl)cc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC001550911800 1074528812 /nfs/dbraw/zinc/52/88/12/1074528812.db2.gz GDAOTAVVFAXWIW-RDJZCZTQSA-N 1 3 356.297 2.730 20 0 FFADHO O=C1CC[C@H](NCc2c(Cl)ccc3cccnc32)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914540 1074529672 /nfs/dbraw/zinc/52/96/72/1074529672.db2.gz VSHKMQTXFHBWEX-FXAWDEMLSA-N 1 3 372.900 2.625 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001551238389 1074658879 /nfs/dbraw/zinc/65/88/79/1074658879.db2.gz PJRIFHKRWNHDGZ-PYBGIAKNSA-N 1 3 350.425 2.719 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC001551574183 1074759794 /nfs/dbraw/zinc/75/97/94/1074759794.db2.gz YVDZLSYXCOUYPG-ZXWVYEGYSA-N 1 3 370.541 2.810 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@]34CCC[C@@H]3[NH2+]CC4)c2)CC1 ZINC001552841259 1075157353 /nfs/dbraw/zinc/15/73/53/1075157353.db2.gz KPMLYNLWMONVRT-FPOVZHCZSA-N 1 3 356.514 2.688 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC001553428030 1075305768 /nfs/dbraw/zinc/30/57/68/1075305768.db2.gz UCPZKWLIDLOGPR-NJDAHSKKSA-N 1 3 370.541 2.607 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC001560332889 1076264879 /nfs/dbraw/zinc/26/48/79/1076264879.db2.gz BBGFBAMYCABSOZ-UWJYYQICSA-N 1 3 373.541 2.805 20 0 FFADHO CN(C)Cc1ccc(CNCC[N@@H+]2CCC(C)(C)C2)c2c1OC(F)(F)O2 ZINC001560616293 1076283985 /nfs/dbraw/zinc/28/39/85/1076283985.db2.gz XLBIJEVLHVDTPR-UHFFFAOYSA-N 1 3 369.456 2.891 20 0 FFADHO CN(C)Cc1ccc(CNCC[N@H+]2CCC(C)(C)C2)c2c1OC(F)(F)O2 ZINC001560616293 1076283990 /nfs/dbraw/zinc/28/39/90/1076283990.db2.gz XLBIJEVLHVDTPR-UHFFFAOYSA-N 1 3 369.456 2.891 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCCN(C)C2)[NH+]2CCCC2)cc1 ZINC001563830195 1076586166 /nfs/dbraw/zinc/58/61/66/1076586166.db2.gz DMEUMIFTRDNCCB-VQTJNVASSA-N 1 3 358.530 2.868 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC001564816620 1076661931 /nfs/dbraw/zinc/66/19/31/1076661931.db2.gz VYGZIRHCOJACDW-AEFFLSMTSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC001564816620 1076661933 /nfs/dbraw/zinc/66/19/33/1076661933.db2.gz VYGZIRHCOJACDW-AEFFLSMTSA-N 1 3 364.559 2.795 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC001564878870 1076666448 /nfs/dbraw/zinc/66/64/48/1076666448.db2.gz RIGQVAOFOYEYOK-QHAWAJNXSA-N 1 3 372.557 2.691 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC001564878870 1076666451 /nfs/dbraw/zinc/66/64/51/1076666451.db2.gz RIGQVAOFOYEYOK-QHAWAJNXSA-N 1 3 372.557 2.691 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2ccccc2C1 ZINC001565056718 1076681226 /nfs/dbraw/zinc/68/12/26/1076681226.db2.gz KELJWUGSWTUWCM-PXNSSMCTSA-N 1 3 360.546 2.505 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2ccccc2C1 ZINC001565056718 1076681228 /nfs/dbraw/zinc/68/12/28/1076681228.db2.gz KELJWUGSWTUWCM-PXNSSMCTSA-N 1 3 360.546 2.505 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422956311 513991250 /nfs/dbraw/zinc/99/12/50/513991250.db2.gz PFWSMLINFJABMW-OCCSQVGLSA-N 1 3 354.292 2.803 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422956311 513991252 /nfs/dbraw/zinc/99/12/52/513991252.db2.gz PFWSMLINFJABMW-OCCSQVGLSA-N 1 3 354.292 2.803 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@@H]1C ZINC000372986089 512119973 /nfs/dbraw/zinc/11/99/73/512119973.db2.gz RZKZBZAOXGMEFR-CEXWTWQISA-N 1 3 365.562 2.504 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000101602739 250080956 /nfs/dbraw/zinc/08/09/56/250080956.db2.gz JQAUOZNPWTXOAD-IBGZPJMESA-N 1 3 360.502 2.769 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000101602739 250080959 /nfs/dbraw/zinc/08/09/59/250080959.db2.gz JQAUOZNPWTXOAD-IBGZPJMESA-N 1 3 360.502 2.769 20 0 FFADHO COc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420939 250312458 /nfs/dbraw/zinc/31/24/58/250312458.db2.gz HVSYDFHPWOGIDB-HXUWFJFHSA-N 1 3 367.493 2.682 20 0 FFADHO COc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420939 250312462 /nfs/dbraw/zinc/31/24/62/250312462.db2.gz HVSYDFHPWOGIDB-HXUWFJFHSA-N 1 3 367.493 2.682 20 0 FFADHO OC1CC[NH+](CCCN[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000151357825 251066246 /nfs/dbraw/zinc/06/62/46/251066246.db2.gz UTXGCVMQTACQNO-KRWDZBQOSA-N 1 3 353.304 2.873 20 0 FFADHO OC1CC[NH+](CCCN[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000151357890 251066379 /nfs/dbraw/zinc/06/63/79/251066379.db2.gz UTXGCVMQTACQNO-QGZVFWFLSA-N 1 3 353.304 2.873 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000272317387 252008249 /nfs/dbraw/zinc/00/82/49/252008249.db2.gz HNHHLEBQYHSCJM-WDSOQIARSA-N 1 3 358.530 2.851 20 0 FFADHO CSCC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000272438441 252037442 /nfs/dbraw/zinc/03/74/42/252037442.db2.gz KNCWPMLOHJESSR-SZMVWBNQSA-N 1 3 351.560 2.949 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)[C@@H]2C1 ZINC000272516830 252058729 /nfs/dbraw/zinc/05/87/29/252058729.db2.gz YKAKEIIULQWRFO-WOJBJXKFSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000272593860 252075129 /nfs/dbraw/zinc/07/51/29/252075129.db2.gz OHHGUPZBJBVPHG-CWJKEVGVSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000272593860 252075133 /nfs/dbraw/zinc/07/51/33/252075133.db2.gz OHHGUPZBJBVPHG-CWJKEVGVSA-N 1 3 370.541 2.775 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000273157900 252234744 /nfs/dbraw/zinc/23/47/44/252234744.db2.gz BDFWIXREZOULMM-QGZVFWFLSA-N 1 3 360.546 2.714 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000275576117 256026188 /nfs/dbraw/zinc/02/61/88/256026188.db2.gz CUVSDRGJNOQSHA-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000276609532 256114517 /nfs/dbraw/zinc/11/45/17/256114517.db2.gz LBATWUVWCVRXDH-UHFFFAOYSA-N 1 3 353.466 2.568 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1Br ZINC000277026371 256153089 /nfs/dbraw/zinc/15/30/89/256153089.db2.gz DSUSQFCGEOSDHY-UAGQMJEPSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1Br ZINC000277026371 256153090 /nfs/dbraw/zinc/15/30/90/256153090.db2.gz DSUSQFCGEOSDHY-UAGQMJEPSA-N 1 3 367.331 2.817 20 0 FFADHO C[C@H]1CN(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000278486265 256317683 /nfs/dbraw/zinc/31/76/83/256317683.db2.gz KTRGRWZJEAWABS-IBGZPJMESA-N 1 3 373.541 2.516 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278691942 256338693 /nfs/dbraw/zinc/33/86/93/256338693.db2.gz MUFVWOUSWLUEMP-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000278757041 256344616 /nfs/dbraw/zinc/34/46/16/256344616.db2.gz XFXZUJQABROANO-SJORKVTESA-N 1 3 361.486 2.795 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000278757041 256344617 /nfs/dbraw/zinc/34/46/17/256344617.db2.gz XFXZUJQABROANO-SJORKVTESA-N 1 3 361.486 2.795 20 0 FFADHO C[N@H+]1CC=C(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000285887409 257009666 /nfs/dbraw/zinc/00/96/66/257009666.db2.gz SYRYQILUMRIHCX-GOSISDBHSA-N 1 3 363.452 2.522 20 0 FFADHO C[N@@H+]1CC=C(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000285887409 257009667 /nfs/dbraw/zinc/00/96/67/257009667.db2.gz SYRYQILUMRIHCX-GOSISDBHSA-N 1 3 363.452 2.522 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286205230 257025655 /nfs/dbraw/zinc/02/56/55/257025655.db2.gz RWBFHQMBWGZKSY-OWCLPIDISA-N 1 3 361.486 2.558 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccco1 ZINC000286792020 257055358 /nfs/dbraw/zinc/05/53/58/257055358.db2.gz RYSDQNSLNUOVAQ-SJORKVTESA-N 1 3 350.507 2.616 20 0 FFADHO CCN1CCC(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000286845515 257058048 /nfs/dbraw/zinc/05/80/48/257058048.db2.gz ZYEUKIWGYFJSBN-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO CCN1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000286845515 257058049 /nfs/dbraw/zinc/05/80/49/257058049.db2.gz ZYEUKIWGYFJSBN-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000286961515 257064014 /nfs/dbraw/zinc/06/40/14/257064014.db2.gz HZKLOOQFTKPTJO-HDYDNRTBSA-N 1 3 364.555 2.844 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC=C(c4ccco4)C3)CC2)CC1 ZINC000287188410 257076383 /nfs/dbraw/zinc/07/63/83/257076383.db2.gz DHWWOVLEZYTINN-UHFFFAOYSA-N 1 3 372.513 2.637 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287804424 257114964 /nfs/dbraw/zinc/11/49/64/257114964.db2.gz JDCPASTUPIDKNO-UXPWSPDFSA-N 1 3 361.530 2.587 20 0 FFADHO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000287876661 257124677 /nfs/dbraw/zinc/12/46/77/257124677.db2.gz GGWFYCNWFBUTHT-MNIJEXPFSA-N 1 3 358.530 2.992 20 0 FFADHO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000287876661 257124678 /nfs/dbraw/zinc/12/46/78/257124678.db2.gz GGWFYCNWFBUTHT-MNIJEXPFSA-N 1 3 358.530 2.992 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287548474 257095199 /nfs/dbraw/zinc/09/51/99/257095199.db2.gz XAMKZWRFJGREOW-GOSISDBHSA-N 1 3 364.534 2.863 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287548474 257095200 /nfs/dbraw/zinc/09/52/00/257095200.db2.gz XAMKZWRFJGREOW-GOSISDBHSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@@H](c1ccccc1)N(C)C ZINC000288167107 257154665 /nfs/dbraw/zinc/15/46/65/257154665.db2.gz OYFLPHQVISUJQM-NBYUQASBSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@@H](c1ccccc1)N(C)C ZINC000288167107 257154667 /nfs/dbraw/zinc/15/46/67/257154667.db2.gz OYFLPHQVISUJQM-NBYUQASBSA-N 1 3 358.530 2.804 20 0 FFADHO CN(C(=O)NCC1CCN(c2ccncc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288390000 257183241 /nfs/dbraw/zinc/18/32/41/257183241.db2.gz MDEFJKULWNFILJ-YOFSQIOKSA-N 1 3 371.529 2.565 20 0 FFADHO CN(C(=O)NCC1CCN(c2ccncc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288390000 257183243 /nfs/dbraw/zinc/18/32/43/257183243.db2.gz MDEFJKULWNFILJ-YOFSQIOKSA-N 1 3 371.529 2.565 20 0 FFADHO Cc1nccn1CCN1CCCC2(CCC[N@H+](CCn3ccnc3C)C2)C1 ZINC000289446837 257281648 /nfs/dbraw/zinc/28/16/48/257281648.db2.gz KSMUEVQYCNCVON-UHFFFAOYSA-N 1 3 370.545 2.575 20 0 FFADHO Cc1nccn1CCN1CCCC2(CCC[N@@H+](CCn3ccnc3C)C2)C1 ZINC000289446837 257281649 /nfs/dbraw/zinc/28/16/49/257281649.db2.gz KSMUEVQYCNCVON-UHFFFAOYSA-N 1 3 370.545 2.575 20 0 FFADHO COc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000289671062 257292931 /nfs/dbraw/zinc/29/29/31/257292931.db2.gz DLMZKFHEHWJMFA-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO CCN(C[C@H](C)OC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000291332182 257398292 /nfs/dbraw/zinc/39/82/92/257398292.db2.gz VWWVWCDPRHGTJA-ZWKOTPCHSA-N 1 3 361.530 2.513 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000333249539 258258536 /nfs/dbraw/zinc/25/85/36/258258536.db2.gz CEPBPNXBSWCXSN-BEFAXECRSA-N 1 3 370.497 2.649 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000333249539 258258537 /nfs/dbraw/zinc/25/85/37/258258537.db2.gz CEPBPNXBSWCXSN-BEFAXECRSA-N 1 3 370.497 2.649 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000373126502 512184383 /nfs/dbraw/zinc/18/43/83/512184383.db2.gz VIOPISZTKCRHTI-LMNJBCLMSA-N 1 3 370.541 2.948 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000366865105 512224218 /nfs/dbraw/zinc/22/42/18/512224218.db2.gz AMLWHWVNDKZQPV-UHFFFAOYSA-N 1 3 368.481 2.954 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000369119742 512236588 /nfs/dbraw/zinc/23/65/88/512236588.db2.gz ZQBKCTDZYXGWCS-HXUWFJFHSA-N 1 3 355.530 2.699 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000369119742 512236593 /nfs/dbraw/zinc/23/65/93/512236593.db2.gz ZQBKCTDZYXGWCS-HXUWFJFHSA-N 1 3 355.530 2.699 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(CCc2ccccc2)CC1 ZINC000410310938 512237196 /nfs/dbraw/zinc/23/71/96/512237196.db2.gz BFTGOYAKNMBEGO-SFTDATJTSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCN(CCc2ccccc2)CC1 ZINC000410310938 512237202 /nfs/dbraw/zinc/23/72/02/512237202.db2.gz BFTGOYAKNMBEGO-SFTDATJTSA-N 1 3 370.541 2.620 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)CC1 ZINC000410346753 512243294 /nfs/dbraw/zinc/24/32/94/512243294.db2.gz KOKDBPZIUZEIRQ-UHFFFAOYSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@H](NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000369173604 512266663 /nfs/dbraw/zinc/26/66/63/512266663.db2.gz JBFDFAWARBPVSN-AVRDEDQJSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@H](NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000369173604 512266666 /nfs/dbraw/zinc/26/66/66/512266666.db2.gz JBFDFAWARBPVSN-AVRDEDQJSA-N 1 3 370.541 2.848 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066173618 506434811 /nfs/dbraw/zinc/43/48/11/506434811.db2.gz KGSLGCAQBPZREE-UXHICEINSA-N 1 3 356.514 2.703 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000066177933 506438245 /nfs/dbraw/zinc/43/82/45/506438245.db2.gz MGHTWIYDLBFCHG-GOSISDBHSA-N 1 3 360.546 2.989 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000066177933 506438252 /nfs/dbraw/zinc/43/82/52/506438252.db2.gz MGHTWIYDLBFCHG-GOSISDBHSA-N 1 3 360.546 2.989 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000066179023 506440802 /nfs/dbraw/zinc/44/08/02/506440802.db2.gz SPXRURFWAGUYPG-OTWHNJEPSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000066179023 506440810 /nfs/dbraw/zinc/44/08/10/506440810.db2.gz SPXRURFWAGUYPG-OTWHNJEPSA-N 1 3 350.551 2.624 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000066191840 506444199 /nfs/dbraw/zinc/44/41/99/506444199.db2.gz GHCFUPIRSGJUNY-MRXNPFEDSA-N 1 3 366.575 2.990 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000066191840 506444204 /nfs/dbraw/zinc/44/42/04/506444204.db2.gz GHCFUPIRSGJUNY-MRXNPFEDSA-N 1 3 366.575 2.990 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCN2CCC(C)CC2)CC1 ZINC000045757667 507014011 /nfs/dbraw/zinc/01/40/11/507014011.db2.gz FWYJJHLUNNXQTL-UHFFFAOYSA-N 1 3 372.557 2.991 20 0 FFADHO CC1CCN(CCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000068887159 507350261 /nfs/dbraw/zinc/35/02/61/507350261.db2.gz WKWLMFWHRWFDJX-UHFFFAOYSA-N 1 3 350.551 2.672 20 0 FFADHO CC(C)[NH+](CCNC(=O)NCC1(N2CCSCC2)CCCC1)C(C)C ZINC000060955541 507587111 /nfs/dbraw/zinc/58/71/11/507587111.db2.gz YZVMUNOVEWHDIU-UHFFFAOYSA-N 1 3 370.607 2.766 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(c4ccccc4)CC3)CC2)CC1 ZINC000051242888 507753942 /nfs/dbraw/zinc/75/39/42/507753942.db2.gz IHDVWIYJCDPAPV-UHFFFAOYSA-N 1 3 370.541 2.576 20 0 FFADHO CN(Cc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759756 507783590 /nfs/dbraw/zinc/78/35/90/507783590.db2.gz HNNGKFVDMOKOPQ-UHFFFAOYSA-N 1 3 362.493 2.526 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)N2CCCCC2)cc1 ZINC000052498715 507810971 /nfs/dbraw/zinc/81/09/71/507810971.db2.gz KJNOJDOUCPSOSG-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)N2CCCCC2)cc1 ZINC000052498715 507810972 /nfs/dbraw/zinc/81/09/72/507810972.db2.gz KJNOJDOUCPSOSG-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CN(C)[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000078434798 507870912 /nfs/dbraw/zinc/87/09/12/507870912.db2.gz XYKWGMLMWQKCMP-HXUWFJFHSA-N 1 3 354.498 2.850 20 0 FFADHO CC(C)[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CCCC1 ZINC000073011423 507883943 /nfs/dbraw/zinc/88/39/43/507883943.db2.gz YEWKKHLDESFSCH-NRFANRHFSA-N 1 3 373.541 2.898 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000073598613 507935303 /nfs/dbraw/zinc/93/53/03/507935303.db2.gz XBHJKJSQOVVPGV-UHFFFAOYSA-N 1 3 367.603 2.975 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000079221373 507945781 /nfs/dbraw/zinc/94/57/81/507945781.db2.gz LELWAJVBOBJGLE-TZIWHRDSSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000079221373 507945782 /nfs/dbraw/zinc/94/57/82/507945782.db2.gz LELWAJVBOBJGLE-TZIWHRDSSA-N 1 3 374.573 2.971 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079256862 507948372 /nfs/dbraw/zinc/94/83/72/507948372.db2.gz UCHQSFDLKJNNLF-YLJYHZDGSA-N 1 3 370.541 2.607 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079256862 507948374 /nfs/dbraw/zinc/94/83/74/507948374.db2.gz UCHQSFDLKJNNLF-YLJYHZDGSA-N 1 3 370.541 2.607 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043700 508037308 /nfs/dbraw/zinc/03/73/08/508037308.db2.gz MVVPSGCHMRSCHU-RTBURBONSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043700 508037309 /nfs/dbraw/zinc/03/73/09/508037309.db2.gz MVVPSGCHMRSCHU-RTBURBONSA-N 1 3 360.498 2.771 20 0 FFADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000110654437 508039832 /nfs/dbraw/zinc/03/98/32/508039832.db2.gz XGONVLZGSLAZFR-WIYYLYMNSA-N 1 3 357.542 2.788 20 0 FFADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000110654437 508039835 /nfs/dbraw/zinc/03/98/35/508039835.db2.gz XGONVLZGSLAZFR-WIYYLYMNSA-N 1 3 357.542 2.788 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000092073254 508040659 /nfs/dbraw/zinc/04/06/59/508040659.db2.gz YHYRDJXCHCYBKR-LJQANCHMSA-N 1 3 353.514 2.931 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000092073254 508040661 /nfs/dbraw/zinc/04/06/61/508040661.db2.gz YHYRDJXCHCYBKR-LJQANCHMSA-N 1 3 353.514 2.931 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080142018 508043546 /nfs/dbraw/zinc/04/35/46/508043546.db2.gz MORUJOWTEHMDHU-NZSAHSFTSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000080142018 508043548 /nfs/dbraw/zinc/04/35/48/508043548.db2.gz MORUJOWTEHMDHU-NZSAHSFTSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110812906 508049295 /nfs/dbraw/zinc/04/92/95/508049295.db2.gz XGSPGHAGBUIPFX-WIYYLYMNSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110812906 508049297 /nfs/dbraw/zinc/04/92/97/508049297.db2.gz XGSPGHAGBUIPFX-WIYYLYMNSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110812903 508049437 /nfs/dbraw/zinc/04/94/37/508049437.db2.gz XGSPGHAGBUIPFX-GHTZIAJQSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110812903 508049438 /nfs/dbraw/zinc/04/94/38/508049438.db2.gz XGSPGHAGBUIPFX-GHTZIAJQSA-N 1 3 357.542 2.788 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074832381 508059465 /nfs/dbraw/zinc/05/94/65/508059465.db2.gz OZHZBJZYICOZFP-AZUAARDMSA-N 1 3 358.530 2.663 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074832381 508059468 /nfs/dbraw/zinc/05/94/68/508059468.db2.gz OZHZBJZYICOZFP-AZUAARDMSA-N 1 3 358.530 2.663 20 0 FFADHO CCN1CCN(CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092561139 508082174 /nfs/dbraw/zinc/08/21/74/508082174.db2.gz KKAZGYDUGPTBPD-UHFFFAOYSA-N 1 3 367.578 2.894 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000371402762 512379309 /nfs/dbraw/zinc/37/93/09/512379309.db2.gz BBZNZFFQHIQRAZ-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000371402762 512379311 /nfs/dbraw/zinc/37/93/11/512379311.db2.gz BBZNZFFQHIQRAZ-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093134992 508123590 /nfs/dbraw/zinc/12/35/90/508123590.db2.gz YPLLNBNFRJMNJP-SFHVURJKSA-N 1 3 361.534 2.574 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000111819190 508125741 /nfs/dbraw/zinc/12/57/41/508125741.db2.gz KVAUQTOHAWSNNL-HXUWFJFHSA-N 1 3 358.530 2.996 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)NC3CCN(C)CC3)c2)CC1 ZINC000076548834 508222603 /nfs/dbraw/zinc/22/26/03/508222603.db2.gz SRQCHGJRYPAGRQ-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000101975474 508262320 /nfs/dbraw/zinc/26/23/20/508262320.db2.gz XXLDZOATDVSFCP-INIZCTEOSA-N 1 3 350.532 2.669 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000101975474 508262323 /nfs/dbraw/zinc/26/23/23/508262323.db2.gz XXLDZOATDVSFCP-INIZCTEOSA-N 1 3 350.532 2.669 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000085390626 508305117 /nfs/dbraw/zinc/30/51/17/508305117.db2.gz YUIUXPIDYULMKX-WMQCIHAUSA-N 1 3 372.557 2.805 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000085390626 508305120 /nfs/dbraw/zinc/30/51/20/508305120.db2.gz YUIUXPIDYULMKX-WMQCIHAUSA-N 1 3 372.557 2.805 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000104532921 508337816 /nfs/dbraw/zinc/33/78/16/508337816.db2.gz OYTMHMDOQBQVCL-UHFFFAOYSA-N 1 3 350.265 2.698 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000114911944 508358096 /nfs/dbraw/zinc/35/80/96/508358096.db2.gz MGDGYBNKDHECSY-UHFFFAOYSA-N 1 3 360.546 2.941 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)N2CCCC2)c1 ZINC000105084680 508360313 /nfs/dbraw/zinc/36/03/13/508360313.db2.gz FIGHBVHMUYORAU-UZLBHIALSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N2CCCC2)c1 ZINC000105084680 508360315 /nfs/dbraw/zinc/36/03/15/508360315.db2.gz FIGHBVHMUYORAU-UZLBHIALSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)N(C)C1CC1 ZINC000105263111 508367685 /nfs/dbraw/zinc/36/76/85/508367685.db2.gz GTRAHWRPBKDQNJ-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)N(C)C1CC1 ZINC000105263111 508367688 /nfs/dbraw/zinc/36/76/88/508367688.db2.gz GTRAHWRPBKDQNJ-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)Cn2ccnc2)CC1 ZINC000088695370 508381151 /nfs/dbraw/zinc/38/11/51/508381151.db2.gz YCCXWBTYSCZSFH-IBGZPJMESA-N 1 3 355.530 2.841 20 0 FFADHO CCN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000133573289 508419020 /nfs/dbraw/zinc/41/90/20/508419020.db2.gz DOCXFKSAPAZYHC-UHOSZYNNSA-N 1 3 361.555 2.766 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000115785833 508436836 /nfs/dbraw/zinc/43/68/36/508436836.db2.gz ITPLJSYNPCFCHE-SJORKVTESA-N 1 3 364.559 2.868 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000115785833 508436840 /nfs/dbraw/zinc/43/68/40/508436840.db2.gz ITPLJSYNPCFCHE-SJORKVTESA-N 1 3 364.559 2.868 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115794776 508437930 /nfs/dbraw/zinc/43/79/30/508437930.db2.gz MGZNCUFRXZBUFM-LJQANCHMSA-N 1 3 372.557 2.943 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115794776 508437935 /nfs/dbraw/zinc/43/79/35/508437935.db2.gz MGZNCUFRXZBUFM-LJQANCHMSA-N 1 3 372.557 2.943 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(F)c(F)cc3F)CC2)CC1 ZINC000121986910 508462803 /nfs/dbraw/zinc/46/28/03/508462803.db2.gz SBPGUOURDQNEDQ-UHFFFAOYSA-N 1 3 370.419 2.784 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)(N2CCCCC2)CC1 ZINC000121994908 508463771 /nfs/dbraw/zinc/46/37/71/508463771.db2.gz FRTYNGNYGKODKX-ZCNNSNEGSA-N 1 3 361.574 2.874 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000134024923 508482365 /nfs/dbraw/zinc/48/23/65/508482365.db2.gz PXVUYIFFIAHWCK-JTDSTZFVSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000134024923 508482368 /nfs/dbraw/zinc/48/23/68/508482368.db2.gz PXVUYIFFIAHWCK-JTDSTZFVSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000116531942 508526340 /nfs/dbraw/zinc/52/63/40/508526340.db2.gz SALKPEIWXAQFEA-ROUUACIJSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000116531942 508526342 /nfs/dbraw/zinc/52/63/42/508526342.db2.gz SALKPEIWXAQFEA-ROUUACIJSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Br)s1 ZINC000128005295 508533430 /nfs/dbraw/zinc/53/34/30/508533430.db2.gz ICNHWUNFFQAUPZ-RYUDHWBXSA-N 1 3 374.348 2.749 20 0 FFADHO CN(CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000157486955 508573208 /nfs/dbraw/zinc/57/32/08/508573208.db2.gz NMGXJNOFZFGOIY-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000157803093 508613889 /nfs/dbraw/zinc/61/38/89/508613889.db2.gz ZEFYSIAKENPUDA-FQEVSTJZSA-N 1 3 360.546 2.581 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000157803234 508614094 /nfs/dbraw/zinc/61/40/94/508614094.db2.gz ZEFYSIAKENPUDA-HXUWFJFHSA-N 1 3 360.546 2.581 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000153952566 508684749 /nfs/dbraw/zinc/68/47/49/508684749.db2.gz QCNZMPGJLQKKMH-RKVPGOIHSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000153952566 508684753 /nfs/dbraw/zinc/68/47/53/508684753.db2.gz QCNZMPGJLQKKMH-RKVPGOIHSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1CCN(CCC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129345255 508715190 /nfs/dbraw/zinc/71/51/90/508715190.db2.gz MPOHEDVEITYEJI-UJOPUZHASA-N 1 3 370.545 2.936 20 0 FFADHO C[C@@H]1CCN(CCC[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129345255 508715191 /nfs/dbraw/zinc/71/51/91/508715191.db2.gz MPOHEDVEITYEJI-UJOPUZHASA-N 1 3 370.545 2.936 20 0 FFADHO C[C@@H]1CC[N@@H+](CCCN2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129345255 508715193 /nfs/dbraw/zinc/71/51/93/508715193.db2.gz MPOHEDVEITYEJI-UJOPUZHASA-N 1 3 370.545 2.936 20 0 FFADHO C[C@@H]1CC[N@H+](CCCN2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129345255 508715194 /nfs/dbraw/zinc/71/51/94/508715194.db2.gz MPOHEDVEITYEJI-UJOPUZHASA-N 1 3 370.545 2.936 20 0 FFADHO Cc1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c(CN(C)C)c1 ZINC000137082908 508736948 /nfs/dbraw/zinc/73/69/48/508736948.db2.gz FREFBQAKPKKFIE-UHFFFAOYSA-N 1 3 356.470 2.644 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000154249828 508745501 /nfs/dbraw/zinc/74/55/01/508745501.db2.gz KSLSZWBFBWACFM-OAHLLOKOSA-N 1 3 371.472 2.975 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000123986910 508768082 /nfs/dbraw/zinc/76/80/82/508768082.db2.gz ASMOITRPIIURLM-CTNGQTDRSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000123986910 508768085 /nfs/dbraw/zinc/76/80/85/508768085.db2.gz ASMOITRPIIURLM-CTNGQTDRSA-N 1 3 372.557 2.530 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000138219392 508770700 /nfs/dbraw/zinc/77/07/00/508770700.db2.gz NDMSMXJTJPQWER-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000154416521 508780721 /nfs/dbraw/zinc/78/07/21/508780721.db2.gz QLHNYMOBQYXKQY-IBGZPJMESA-N 1 3 355.530 2.610 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000154531625 508803359 /nfs/dbraw/zinc/80/33/59/508803359.db2.gz HUEPYDXLOWUVJU-IBGZPJMESA-N 1 3 372.557 2.882 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4ncccc43)CC2)CC1 ZINC000124384152 508823650 /nfs/dbraw/zinc/82/36/50/508823650.db2.gz YEGFRHNLSYTNMA-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000375618597 512423905 /nfs/dbraw/zinc/42/39/05/512423905.db2.gz PAKYITVZOOCWSE-SFHVURJKSA-N 1 3 365.468 2.696 20 0 FFADHO CC(C)C[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000155024394 508906090 /nfs/dbraw/zinc/90/60/90/508906090.db2.gz MKNQBYNDMQTNEV-LJQANCHMSA-N 1 3 350.551 2.765 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000155098088 508922852 /nfs/dbraw/zinc/92/28/52/508922852.db2.gz DFLVSLPEQQYXEN-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000120187661 508946417 /nfs/dbraw/zinc/94/64/17/508946417.db2.gz XMIZEJMIYCNJHW-UHFFFAOYSA-N 1 3 350.507 2.821 20 0 FFADHO CN(c1ccccc1CN[C@H]1CC(=O)N(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000151060284 508948544 /nfs/dbraw/zinc/94/85/44/508948544.db2.gz GJHBPXAQOIMSLW-SFHVURJKSA-N 1 3 372.557 2.706 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155221793 508951793 /nfs/dbraw/zinc/95/17/93/508951793.db2.gz NGRSHBGYOLWKHT-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000155221793 508951796 /nfs/dbraw/zinc/95/17/96/508951796.db2.gz NGRSHBGYOLWKHT-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2ccccc12 ZINC000125578710 509002158 /nfs/dbraw/zinc/00/21/58/509002158.db2.gz YEOPPVWIVVHAGB-SFHVURJKSA-N 1 3 356.514 2.585 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2ccccc12 ZINC000125578710 509002163 /nfs/dbraw/zinc/00/21/63/509002163.db2.gz YEOPPVWIVVHAGB-SFHVURJKSA-N 1 3 356.514 2.585 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000125582383 509003246 /nfs/dbraw/zinc/00/32/46/509003246.db2.gz ZTZJUVIBWQHZOF-GOSISDBHSA-N 1 3 356.514 2.964 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000125582383 509003248 /nfs/dbraw/zinc/00/32/48/509003248.db2.gz ZTZJUVIBWQHZOF-GOSISDBHSA-N 1 3 356.514 2.964 20 0 FFADHO O=C(NCC1CC[NH2+]CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000120605060 509030034 /nfs/dbraw/zinc/03/00/34/509030034.db2.gz SCZVEUHLQAGXNO-GOSISDBHSA-N 1 3 369.431 2.557 20 0 FFADHO Cn1ncc(Cl)c1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000132629656 509054134 /nfs/dbraw/zinc/05/41/34/509054134.db2.gz JPFVNKXBFLAKFR-UHFFFAOYSA-N 1 3 362.905 2.880 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000132812327 509077967 /nfs/dbraw/zinc/07/79/67/509077967.db2.gz ZFUZNNWJSDULML-DLBZAZTESA-N 1 3 373.497 2.795 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000120933111 509091606 /nfs/dbraw/zinc/09/16/06/509091606.db2.gz LNKDHWPNLWHYBA-QZTJIDSGSA-N 1 3 355.530 2.715 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000132950840 509095810 /nfs/dbraw/zinc/09/58/10/509095810.db2.gz MZEWDOXEWIRAQF-SJORKVTESA-N 1 3 373.497 2.795 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000371494091 512432834 /nfs/dbraw/zinc/43/28/34/512432834.db2.gz ANZCRLHSWKAVMD-CTNGQTDRSA-N 1 3 370.541 2.574 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000371494091 512432836 /nfs/dbraw/zinc/43/28/36/512432836.db2.gz ANZCRLHSWKAVMD-CTNGQTDRSA-N 1 3 370.541 2.574 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161775972 509152239 /nfs/dbraw/zinc/15/22/39/509152239.db2.gz JEQUAAHTRICBAX-INIZCTEOSA-N 1 3 353.532 2.831 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]2CSCCN2)cc1 ZINC000133437909 509159614 /nfs/dbraw/zinc/15/96/14/509159614.db2.gz WHRWJIUVIWMVOG-QFBILLFUSA-N 1 3 361.555 2.772 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2CSCCN2)cc1 ZINC000133437909 509159616 /nfs/dbraw/zinc/15/96/16/509159616.db2.gz WHRWJIUVIWMVOG-QFBILLFUSA-N 1 3 361.555 2.772 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121268217 509160136 /nfs/dbraw/zinc/16/01/36/509160136.db2.gz BBASHRMRNKQWBK-BDTNDASRSA-N 1 3 369.553 2.871 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182402369 509218856 /nfs/dbraw/zinc/21/88/56/509218856.db2.gz XOCTZDHRXVBNJS-KZNAEPCWSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182402369 509218862 /nfs/dbraw/zinc/21/88/62/509218862.db2.gz XOCTZDHRXVBNJS-KZNAEPCWSA-N 1 3 350.551 2.813 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248045146 509224242 /nfs/dbraw/zinc/22/42/42/509224242.db2.gz MRZQZKCAYNSBJU-UFYCRDLUSA-N 1 3 358.530 2.948 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248045146 509224247 /nfs/dbraw/zinc/22/42/47/509224247.db2.gz MRZQZKCAYNSBJU-UFYCRDLUSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179113963 509269210 /nfs/dbraw/zinc/26/92/10/509269210.db2.gz RIGAFQLPVAGHEF-PMACEKPBSA-N 1 3 356.514 2.605 20 0 FFADHO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248392854 509290768 /nfs/dbraw/zinc/29/07/68/509290768.db2.gz DKDHZNUEARYKBV-PLACYPQZSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248392854 509290775 /nfs/dbraw/zinc/29/07/75/509290775.db2.gz DKDHZNUEARYKBV-PLACYPQZSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248392854 509290780 /nfs/dbraw/zinc/29/07/80/509290780.db2.gz DKDHZNUEARYKBV-PLACYPQZSA-N 1 3 355.526 2.888 20 0 FFADHO CC1(C)CN(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1 ZINC000248412860 509305801 /nfs/dbraw/zinc/30/58/01/509305801.db2.gz KEKKCHBGNDBNEM-QHAWAJNXSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000248412860 509305805 /nfs/dbraw/zinc/30/58/05/509305805.db2.gz KEKKCHBGNDBNEM-QHAWAJNXSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000248412860 509305812 /nfs/dbraw/zinc/30/58/12/509305812.db2.gz KEKKCHBGNDBNEM-QHAWAJNXSA-N 1 3 357.542 2.597 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179263400 509345619 /nfs/dbraw/zinc/34/56/19/509345619.db2.gz VVVSXYGYFDIKPC-MISYRCLQSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179263400 509345625 /nfs/dbraw/zinc/34/56/25/509345625.db2.gz VVVSXYGYFDIKPC-MISYRCLQSA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)Cc1ccc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000264158870 509356315 /nfs/dbraw/zinc/35/63/15/509356315.db2.gz AZAYHCPXWJQDID-UHFFFAOYSA-N 1 3 369.509 2.661 20 0 FFADHO Cc1nccn1CCCCN1CC[NH+](CCCCn2ccnc2C)CC1 ZINC000163483257 509381686 /nfs/dbraw/zinc/38/16/86/509381686.db2.gz OQLHVQJVEWCPOG-UHFFFAOYSA-N 1 3 358.534 2.575 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCO[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000248609698 509389905 /nfs/dbraw/zinc/38/99/05/509389905.db2.gz XGQUTASIAQBSHE-GGPKGHCWSA-N 1 3 354.535 2.741 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000248608976 509389917 /nfs/dbraw/zinc/38/99/17/509389917.db2.gz XCMSNIWPCDZCBA-KNKQGSTJSA-N 1 3 360.542 2.801 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000248608975 509390254 /nfs/dbraw/zinc/39/02/54/509390254.db2.gz XCMSNIWPCDZCBA-JQVVWYNYSA-N 1 3 360.542 2.801 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000228233806 509419209 /nfs/dbraw/zinc/41/92/09/509419209.db2.gz UVVCNYIHBHRDSL-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000228233806 509419212 /nfs/dbraw/zinc/41/92/12/509419212.db2.gz UVVCNYIHBHRDSL-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179462896 509456459 /nfs/dbraw/zinc/45/64/59/509456459.db2.gz UQWCVSIADFEQFE-SFTDATJTSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179478540 509468265 /nfs/dbraw/zinc/46/82/65/509468265.db2.gz MOBCRQQFTGKBHU-PMACEKPBSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179478540 509468269 /nfs/dbraw/zinc/46/82/69/509468269.db2.gz MOBCRQQFTGKBHU-PMACEKPBSA-N 1 3 356.514 2.702 20 0 FFADHO CC1CCN([C@@H](CNC(=O)C[C@H]2CSCC[NH2+]2)c2ccccc2)CC1 ZINC000236651695 509470399 /nfs/dbraw/zinc/47/03/99/509470399.db2.gz SYQVCNBFFNRGSJ-OALUTQOASA-N 1 3 361.555 2.671 20 0 FFADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)c2ccccc2)CC1 ZINC000236651519 509470571 /nfs/dbraw/zinc/47/05/71/509470571.db2.gz SYQVCNBFFNRGSJ-MOPGFXCFSA-N 1 3 361.555 2.671 20 0 FFADHO CN(CCC(=O)Nc1ccccc1Cl)CC[N@H+](C)C1CCN(C)CC1 ZINC000267438824 509483193 /nfs/dbraw/zinc/48/31/93/509483193.db2.gz BEXXEEMYJUZXKD-UHFFFAOYSA-N 1 3 366.937 2.626 20 0 FFADHO CN(CCC(=O)Nc1ccccc1Cl)CC[N@@H+](C)C1CCN(C)CC1 ZINC000267438824 509483200 /nfs/dbraw/zinc/48/32/00/509483200.db2.gz BEXXEEMYJUZXKD-UHFFFAOYSA-N 1 3 366.937 2.626 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182901446 509485198 /nfs/dbraw/zinc/48/51/98/509485198.db2.gz PSTPQFRCFSONOV-ZWKOTPCHSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182901446 509485208 /nfs/dbraw/zinc/48/52/08/509485208.db2.gz PSTPQFRCFSONOV-ZWKOTPCHSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)c1cnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000192395676 509501705 /nfs/dbraw/zinc/50/17/05/509501705.db2.gz OIZVKSLBZSZEOW-UHFFFAOYSA-N 1 3 365.547 2.947 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)c1cccc(OC)c1 ZINC000236827658 509511310 /nfs/dbraw/zinc/51/13/10/509511310.db2.gz RKSMUKBNNPUMIF-SFTDATJTSA-N 1 3 369.509 2.764 20 0 FFADHO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182954317 509514248 /nfs/dbraw/zinc/51/42/48/509514248.db2.gz VATOMLCAMZVUCY-MRXNPFEDSA-N 1 3 366.937 2.545 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248873825 509522039 /nfs/dbraw/zinc/52/20/39/509522039.db2.gz QWSJHKSXPCNKCD-YLJYHZDGSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[NH+]1CCC(C)CC1 ZINC000176458410 509522511 /nfs/dbraw/zinc/52/25/11/509522511.db2.gz BLTJJWUNEJRPRS-QGZVFWFLSA-N 1 3 366.575 2.942 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc4ccccc4cc3N)CC2)CC1 ZINC000237070264 509563104 /nfs/dbraw/zinc/56/31/04/509563104.db2.gz LANDKVVHBOUKIH-UHFFFAOYSA-N 1 3 366.509 2.710 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCN(C2CC2)CC1 ZINC000192637887 509577696 /nfs/dbraw/zinc/57/76/96/509577696.db2.gz VDHRWORLPHUFTE-IBGZPJMESA-N 1 3 355.526 2.841 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CCN(C2CC2)CC1 ZINC000192637887 509577701 /nfs/dbraw/zinc/57/77/01/509577701.db2.gz VDHRWORLPHUFTE-IBGZPJMESA-N 1 3 355.526 2.841 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[NH+](C)C)cc1 ZINC000173411558 509581314 /nfs/dbraw/zinc/58/13/14/509581314.db2.gz YIKQHJUUUYNZLU-VQTJNVASSA-N 1 3 356.514 2.507 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000176585690 509597369 /nfs/dbraw/zinc/59/73/69/509597369.db2.gz ZCYMCKQEDCBEAK-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO COc1cccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237283189 509611816 /nfs/dbraw/zinc/61/18/16/509611816.db2.gz CCJDBJOXVANXFN-LEWJYISDSA-N 1 3 367.493 2.691 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000192718418 509611967 /nfs/dbraw/zinc/61/19/67/509611967.db2.gz CPRPUPYMLANUBB-FQEVSTJZSA-N 1 3 372.557 2.753 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000192718418 509611973 /nfs/dbraw/zinc/61/19/73/509611973.db2.gz CPRPUPYMLANUBB-FQEVSTJZSA-N 1 3 372.557 2.753 20 0 FFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237322626 509621040 /nfs/dbraw/zinc/62/10/40/509621040.db2.gz HDIKILPGTBLXQJ-FCEWJHQRSA-N 1 3 363.571 2.861 20 0 FFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237322626 509621045 /nfs/dbraw/zinc/62/10/45/509621045.db2.gz HDIKILPGTBLXQJ-FCEWJHQRSA-N 1 3 363.571 2.861 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000192751127 509627491 /nfs/dbraw/zinc/62/74/91/509627491.db2.gz OMIOWDALBWHDER-HSZRJFAPSA-N 1 3 372.601 2.999 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000192751127 509627495 /nfs/dbraw/zinc/62/74/95/509627495.db2.gz OMIOWDALBWHDER-HSZRJFAPSA-N 1 3 372.601 2.999 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000192788009 509645675 /nfs/dbraw/zinc/64/56/75/509645675.db2.gz UCZSAPCSGREPLF-LJQANCHMSA-N 1 3 355.530 2.939 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(-n2cnnn2)cc1 ZINC000183195608 509652804 /nfs/dbraw/zinc/65/28/04/509652804.db2.gz NXXJUYAQSNOJIL-SOLBZPMBSA-N 1 3 354.502 2.966 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173563860 509654465 /nfs/dbraw/zinc/65/44/65/509654465.db2.gz GPZBXVXVOQAGAI-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173563860 509654470 /nfs/dbraw/zinc/65/44/70/509654470.db2.gz GPZBXVXVOQAGAI-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249352127 509659763 /nfs/dbraw/zinc/65/97/63/509659763.db2.gz QEXVHXMWAVVHLP-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249352127 509659764 /nfs/dbraw/zinc/65/97/64/509659764.db2.gz QEXVHXMWAVVHLP-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCCC[C@H]2CC)[C@H](C)C1 ZINC000249396941 509671734 /nfs/dbraw/zinc/67/17/34/509671734.db2.gz BHAKODCUVJFHGW-QRVBRYPASA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000268038424 509730929 /nfs/dbraw/zinc/73/09/29/509730929.db2.gz XHIBJMHFGPLJNR-QCFAMHMHSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000268038424 509730937 /nfs/dbraw/zinc/73/09/37/509730937.db2.gz XHIBJMHFGPLJNR-QCFAMHMHSA-N 1 3 372.557 2.879 20 0 FFADHO OC1CCN(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000180113377 509758279 /nfs/dbraw/zinc/75/82/79/509758279.db2.gz YWQCIHWIQQMWSH-SEJPIABJSA-N 1 3 357.542 2.618 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268114653 509763495 /nfs/dbraw/zinc/76/34/95/509763495.db2.gz DGCGXVHURKMORQ-OXQOHEQNSA-N 1 3 358.530 2.762 20 0 FFADHO C[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1cccc(Cl)c1 ZINC000189818204 509769128 /nfs/dbraw/zinc/76/91/28/509769128.db2.gz GOXPHGLFHJAWOG-OAHLLOKOSA-N 1 3 351.922 2.833 20 0 FFADHO CC[NH+](CC)CCCN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000170794217 509780712 /nfs/dbraw/zinc/78/07/12/509780712.db2.gz SESWNNAMXKDCOH-NRFANRHFSA-N 1 3 373.589 2.648 20 0 FFADHO O=C(CCC1CC[NH2+]CC1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000237977742 509790050 /nfs/dbraw/zinc/79/00/50/509790050.db2.gz PCYHMHMYNYGNHQ-UHFFFAOYSA-N 1 3 370.541 2.937 20 0 FFADHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000264974074 509804760 /nfs/dbraw/zinc/80/47/60/509804760.db2.gz JBMAPXPZBBPTCN-LBPRGKRZSA-N 1 3 372.282 2.800 20 0 FFADHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000264974074 509804764 /nfs/dbraw/zinc/80/47/64/509804764.db2.gz JBMAPXPZBBPTCN-LBPRGKRZSA-N 1 3 372.282 2.800 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000252215211 509833501 /nfs/dbraw/zinc/83/35/01/509833501.db2.gz XLLYNAPKZQHNGY-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000252215211 509833507 /nfs/dbraw/zinc/83/35/07/509833507.db2.gz XLLYNAPKZQHNGY-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CN(C)CCOc1cc(C[NH2+]CCCc2ccc3c(c2)CCO3)ccn1 ZINC000193310518 509861458 /nfs/dbraw/zinc/86/14/58/509861458.db2.gz WMVPIDQVYROHGR-UHFFFAOYSA-N 1 3 355.482 2.679 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000190000504 509875442 /nfs/dbraw/zinc/87/54/42/509875442.db2.gz YAXIDDOJZANHGQ-BEFAXECRSA-N 1 3 366.477 2.839 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000245406107 509909832 /nfs/dbraw/zinc/90/98/32/509909832.db2.gz WAZVVINHPSRIHW-TZIWHRDSSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000245406107 509909842 /nfs/dbraw/zinc/90/98/42/509909842.db2.gz WAZVVINHPSRIHW-TZIWHRDSSA-N 1 3 372.557 2.725 20 0 FFADHO CC1(CO)CCN(Cc2cccc(C[NH+]3CCC(C)(CO)CC3)c2)CC1 ZINC000186913218 509945086 /nfs/dbraw/zinc/94/50/86/509945086.db2.gz KPKOJFLWDJDHPU-UHFFFAOYSA-N 1 3 360.542 2.875 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000174117942 509955980 /nfs/dbraw/zinc/95/59/80/509955980.db2.gz CVIRMJOUIXCKSQ-PZJWPPBQSA-N 1 3 372.557 2.979 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000171191499 509997545 /nfs/dbraw/zinc/99/75/45/509997545.db2.gz GTVYRFXUACJJAN-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000245560988 510009586 /nfs/dbraw/zinc/00/95/86/510009586.db2.gz CAYWNMRROOYYAJ-GDBMZVCRSA-N 1 3 350.894 2.870 20 0 FFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000245560988 510009588 /nfs/dbraw/zinc/00/95/88/510009588.db2.gz CAYWNMRROOYYAJ-GDBMZVCRSA-N 1 3 350.894 2.870 20 0 FFADHO [NH3+]C1(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CCOCC1 ZINC000261777720 510060081 /nfs/dbraw/zinc/06/00/81/510060081.db2.gz HEBPURQQTYZLNI-UHFFFAOYSA-N 1 3 371.525 2.542 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000171309096 510071986 /nfs/dbraw/zinc/07/19/86/510071986.db2.gz PQMIZMADPQTIIT-LJQANCHMSA-N 1 3 358.530 2.764 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000171309096 510071994 /nfs/dbraw/zinc/07/19/94/510071994.db2.gz PQMIZMADPQTIIT-LJQANCHMSA-N 1 3 358.530 2.764 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000245678035 510078055 /nfs/dbraw/zinc/07/80/55/510078055.db2.gz GEDJROYGCDAXBR-DBVUQKKJSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000245678035 510078059 /nfs/dbraw/zinc/07/80/59/510078059.db2.gz GEDJROYGCDAXBR-DBVUQKKJSA-N 1 3 360.546 2.976 20 0 FFADHO C[C@@H]1C[C@@H](NCCC(=O)NCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268859509 510104694 /nfs/dbraw/zinc/10/46/94/510104694.db2.gz VEZQTANOQOXKOU-NQIIRXRSSA-N 1 3 366.509 2.731 20 0 FFADHO C[C@@H]1C[C@@H](NCCC(=O)NCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268859509 510104699 /nfs/dbraw/zinc/10/46/99/510104699.db2.gz VEZQTANOQOXKOU-NQIIRXRSSA-N 1 3 366.509 2.731 20 0 FFADHO C[NH2+]CCC1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000261990859 510140811 /nfs/dbraw/zinc/14/08/11/510140811.db2.gz LWCDGDBBBLSEFR-UHFFFAOYSA-N 1 3 357.542 2.789 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000268961569 510163697 /nfs/dbraw/zinc/16/36/97/510163697.db2.gz FUEHCSCNFPIPQB-OAHLLOKOSA-N 1 3 369.303 2.709 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000245857393 510172082 /nfs/dbraw/zinc/17/20/82/510172082.db2.gz ARMNVGFTVMSQNK-IRXDYDNUSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000245857393 510172090 /nfs/dbraw/zinc/17/20/90/510172090.db2.gz ARMNVGFTVMSQNK-IRXDYDNUSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000269028695 510200153 /nfs/dbraw/zinc/20/01/53/510200153.db2.gz RSDFZRMNWUSOJU-LSWJPFSZSA-N 1 3 371.569 2.988 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)CC[C@H]21 ZINC000269043212 510207463 /nfs/dbraw/zinc/20/74/63/510207463.db2.gz VXVVKPATWNTHBC-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)CC[C@H]21 ZINC000269043212 510207466 /nfs/dbraw/zinc/20/74/66/510207466.db2.gz VXVVKPATWNTHBC-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CN1Cc1ccccc1 ZINC000262291008 510232901 /nfs/dbraw/zinc/23/29/01/510232901.db2.gz MXVYTDWOSWSUCH-JTVBLWFRSA-N 1 3 355.526 2.919 20 0 FFADHO C[C@H](C[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262349106 510251428 /nfs/dbraw/zinc/25/14/28/510251428.db2.gz ITYYPECQGFKKPN-INWMFGNUSA-N 1 3 357.420 2.799 20 0 FFADHO COCC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000262390453 510265399 /nfs/dbraw/zinc/26/53/99/510265399.db2.gz PJOIWFWQBDWSFQ-UYAOXDASSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)N(C)Cc1ccccc1 ZINC000246067262 510272717 /nfs/dbraw/zinc/27/27/17/510272717.db2.gz ZQAMCYAHCAQVFB-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)N(C)Cc1ccccc1 ZINC000246067262 510272721 /nfs/dbraw/zinc/27/27/21/510272721.db2.gz ZQAMCYAHCAQVFB-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000177839735 510282273 /nfs/dbraw/zinc/28/22/73/510282273.db2.gz IWVUZKWIJQOGNA-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000177839735 510282281 /nfs/dbraw/zinc/28/22/81/510282281.db2.gz IWVUZKWIJQOGNA-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000177877826 510304119 /nfs/dbraw/zinc/30/41/19/510304119.db2.gz KRWPVWNXROSYLK-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000177877826 510304122 /nfs/dbraw/zinc/30/41/22/510304122.db2.gz KRWPVWNXROSYLK-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000194446579 510368319 /nfs/dbraw/zinc/36/83/19/510368319.db2.gz WTGSGTIDBOVWKX-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000194446579 510368325 /nfs/dbraw/zinc/36/83/25/510368325.db2.gz WTGSGTIDBOVWKX-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000266075738 510395737 /nfs/dbraw/zinc/39/57/37/510395737.db2.gz LJGLLVBXFPTRBX-HKUYNNGSSA-N 1 3 361.530 2.962 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@H]1c1cccs1 ZINC000246297136 510413381 /nfs/dbraw/zinc/41/33/81/510413381.db2.gz NTCVYFOSUFHEGH-LNLFQRSKSA-N 1 3 357.523 2.817 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@H]1c1cccs1 ZINC000246297136 510413390 /nfs/dbraw/zinc/41/33/90/510413390.db2.gz NTCVYFOSUFHEGH-LNLFQRSKSA-N 1 3 357.523 2.817 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1(C)C ZINC000262814636 510425664 /nfs/dbraw/zinc/42/56/64/510425664.db2.gz WFHZZRUIZWNWSC-WAOWUJCRSA-N 1 3 365.562 2.634 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)C[C@H](C)O1 ZINC000262902795 510468309 /nfs/dbraw/zinc/46/83/09/510468309.db2.gz DTDVZHIGDVWYLD-NZGUISNBSA-N 1 3 365.562 2.632 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000246423509 510482412 /nfs/dbraw/zinc/48/24/12/510482412.db2.gz NKVAUZNPAOHZJA-PXNSSMCTSA-N 1 3 373.545 2.670 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000246423509 510482420 /nfs/dbraw/zinc/48/24/20/510482420.db2.gz NKVAUZNPAOHZJA-PXNSSMCTSA-N 1 3 373.545 2.670 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246502590 510525359 /nfs/dbraw/zinc/52/53/59/510525359.db2.gz SGQZQZKGMOYCHZ-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246502590 510525360 /nfs/dbraw/zinc/52/53/60/510525360.db2.gz SGQZQZKGMOYCHZ-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246514516 510531284 /nfs/dbraw/zinc/53/12/84/510531284.db2.gz VBGLVFOPZWHUSE-KZNAEPCWSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000263219923 510618600 /nfs/dbraw/zinc/61/86/00/510618600.db2.gz LRVYEDLFTYTLRT-FPOVZHCZSA-N 1 3 359.514 2.737 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CN(C)C)cc2)[C@@H](C)C1 ZINC000246691636 510620264 /nfs/dbraw/zinc/62/02/64/510620264.db2.gz DCFNYZXSCQPZLE-PXNSSMCTSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CN(C)C)cc2)[C@@H](C)C1 ZINC000246691636 510620268 /nfs/dbraw/zinc/62/02/68/510620268.db2.gz DCFNYZXSCQPZLE-PXNSSMCTSA-N 1 3 361.530 2.615 20 0 FFADHO CC1(C)[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181860419 510629155 /nfs/dbraw/zinc/62/91/55/510629155.db2.gz ZJBLSXTXBHKSPF-HBMCJLEFSA-N 1 3 358.526 2.937 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000246867124 510717786 /nfs/dbraw/zinc/71/77/86/510717786.db2.gz DEWSVZIBNWVLBL-DLBZAZTESA-N 1 3 367.559 2.757 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000246867124 510717790 /nfs/dbraw/zinc/71/77/90/510717790.db2.gz DEWSVZIBNWVLBL-DLBZAZTESA-N 1 3 367.559 2.757 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000175727765 510758058 /nfs/dbraw/zinc/75/80/58/510758058.db2.gz TVUYGTCXIKLJDH-LEWJYISDSA-N 1 3 372.557 2.866 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000178765405 510760362 /nfs/dbraw/zinc/76/03/62/510760362.db2.gz TXLHWEQBOWHSLL-UIFIKXQLSA-N 1 3 351.494 2.898 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000178765405 510760367 /nfs/dbraw/zinc/76/03/67/510760367.db2.gz TXLHWEQBOWHSLL-UIFIKXQLSA-N 1 3 351.494 2.898 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172524576 510770834 /nfs/dbraw/zinc/77/08/34/510770834.db2.gz TYAYSDFOWZXRRZ-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172524576 510770839 /nfs/dbraw/zinc/77/08/39/510770839.db2.gz TYAYSDFOWZXRRZ-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@@H](CCNC(=O)NCC1CCN(c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000182139485 510777066 /nfs/dbraw/zinc/77/70/66/510777066.db2.gz CRDPHLBJPRFAQU-SFHVURJKSA-N 1 3 373.545 2.862 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000247055566 510818670 /nfs/dbraw/zinc/81/86/70/510818670.db2.gz NTHJZPHQANJKKY-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO c1ccc2c(c1)C=C(C[NH2+]CCCN1CCN(c3ccncc3)CC1)CO2 ZINC000263765683 510833557 /nfs/dbraw/zinc/83/35/57/510833557.db2.gz BOPGCVQBFMMZPE-UHFFFAOYSA-N 1 3 364.493 2.659 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000247146597 510845032 /nfs/dbraw/zinc/84/50/32/510845032.db2.gz SPOBROUDECTLSG-DLBZAZTESA-N 1 3 367.559 2.900 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000247146597 510845033 /nfs/dbraw/zinc/84/50/33/510845033.db2.gz SPOBROUDECTLSG-DLBZAZTESA-N 1 3 367.559 2.900 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CN1Cc1ccccc1 ZINC000247286902 510855635 /nfs/dbraw/zinc/85/56/35/510855635.db2.gz TYHPZZVIRXDAHM-BVOGOJNSSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CN1Cc1ccccc1 ZINC000247286902 510855636 /nfs/dbraw/zinc/85/56/36/510855636.db2.gz TYHPZZVIRXDAHM-BVOGOJNSSA-N 1 3 370.541 2.775 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000247304140 510856280 /nfs/dbraw/zinc/85/62/80/510856280.db2.gz IWVUZKWIJQOGNA-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000247304140 510856281 /nfs/dbraw/zinc/85/62/81/510856281.db2.gz IWVUZKWIJQOGNA-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000247530712 510864764 /nfs/dbraw/zinc/86/47/64/510864764.db2.gz XFESIUVPJMWWMI-KPFFTGBYSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000247530712 510864765 /nfs/dbraw/zinc/86/47/65/510864765.db2.gz XFESIUVPJMWWMI-KPFFTGBYSA-N 1 3 361.505 2.979 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282226217 510893261 /nfs/dbraw/zinc/89/32/61/510893261.db2.gz KONPTDGDFPWLEI-UHFFFAOYSA-N 1 3 361.559 2.656 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285437783 510906293 /nfs/dbraw/zinc/90/62/93/510906293.db2.gz IBKHPQUZKXAEFU-MSOLQXFVSA-N 1 3 365.468 2.554 20 0 FFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)ccn1 ZINC000282277204 510912209 /nfs/dbraw/zinc/91/22/09/510912209.db2.gz KVLDFGKLLMHPAI-INIZCTEOSA-N 1 3 350.466 2.760 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)c1ccccc1 ZINC000297348796 510912496 /nfs/dbraw/zinc/91/24/96/510912496.db2.gz JYNLZKOURFIYNN-SFHVURJKSA-N 1 3 372.517 2.649 20 0 FFADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(CN2CCCCC2)cc1 ZINC000270733000 510966438 /nfs/dbraw/zinc/96/64/38/510966438.db2.gz YWVQVZUMGHTDAO-OAQYLSRUSA-N 1 3 373.541 2.639 20 0 FFADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(CN2CCCCC2)cc1 ZINC000270733000 510966441 /nfs/dbraw/zinc/96/64/41/510966441.db2.gz YWVQVZUMGHTDAO-OAQYLSRUSA-N 1 3 373.541 2.639 20 0 FFADHO C[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000364673322 511011760 /nfs/dbraw/zinc/01/17/60/511011760.db2.gz PAVTUCXCYVYJBY-YSDSKTICSA-N 1 3 358.530 2.794 20 0 FFADHO C[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000364673322 511011764 /nfs/dbraw/zinc/01/17/64/511011764.db2.gz PAVTUCXCYVYJBY-YSDSKTICSA-N 1 3 358.530 2.794 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000364749573 511060438 /nfs/dbraw/zinc/06/04/38/511060438.db2.gz UKOFPSOJTGPAJV-UHFFFAOYSA-N 1 3 365.562 2.650 20 0 FFADHO O=C(C[C@H]1CSCCN1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361719520 511083434 /nfs/dbraw/zinc/08/34/34/511083434.db2.gz USCVLCMCABGYNA-PZJWPPBQSA-N 1 3 373.566 2.596 20 0 FFADHO O=C(C[C@H]1CSCCN1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361719520 511083440 /nfs/dbraw/zinc/08/34/40/511083440.db2.gz USCVLCMCABGYNA-PZJWPPBQSA-N 1 3 373.566 2.596 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000365053089 511228203 /nfs/dbraw/zinc/22/82/03/511228203.db2.gz JQERHOMEAIFEED-QHAWAJNXSA-N 1 3 373.541 2.663 20 0 FFADHO OC[C@@H](C[C@@H](O)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000271560225 511245733 /nfs/dbraw/zinc/24/57/33/511245733.db2.gz WRNKWSGHCKYIJP-FGZHOGPDSA-N 1 3 354.494 2.725 20 0 FFADHO COC(=O)c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1Cl ZINC000295019209 511254631 /nfs/dbraw/zinc/25/46/31/511254631.db2.gz UIPKMLDDYCUCEB-UHFFFAOYSA-N 1 3 367.921 2.584 20 0 FFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1OC ZINC000279992269 511294616 /nfs/dbraw/zinc/29/46/16/511294616.db2.gz FJTNCRNGLVHWQL-ROUUACIJSA-N 1 3 363.546 2.813 20 0 FFADHO C[C@@H]1C[C@H](NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[C@@H](C)O1 ZINC000295270945 511344620 /nfs/dbraw/zinc/34/46/20/511344620.db2.gz VQQLOWANFYIINJ-LZJOCLMNSA-N 1 3 362.514 2.832 20 0 FFADHO C[C@@H]1C[C@H](NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@@H](C)O1 ZINC000295270945 511344627 /nfs/dbraw/zinc/34/46/27/511344627.db2.gz VQQLOWANFYIINJ-LZJOCLMNSA-N 1 3 362.514 2.832 20 0 FFADHO CN1CC=C(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000271879894 511356840 /nfs/dbraw/zinc/35/68/40/511356840.db2.gz PEPKTBOWRANQIF-ROUUACIJSA-N 1 3 367.493 2.835 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000295318442 511361311 /nfs/dbraw/zinc/36/13/11/511361311.db2.gz WPDBJDDQFZWPAM-RHSMWYFYSA-N 1 3 357.420 2.685 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363141530 511378848 /nfs/dbraw/zinc/37/88/48/511378848.db2.gz XCJUOJKAMPFHAP-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363141530 511378855 /nfs/dbraw/zinc/37/88/55/511378855.db2.gz XCJUOJKAMPFHAP-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000363261992 511450694 /nfs/dbraw/zinc/45/06/94/511450694.db2.gz UBPLUXAGDDZONT-NRFANRHFSA-N 1 3 370.541 2.529 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000363322094 511481373 /nfs/dbraw/zinc/48/13/73/511481373.db2.gz ZLJWCZJGSQDHCM-WLRLJWMZSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000363322094 511481377 /nfs/dbraw/zinc/48/13/77/511481377.db2.gz ZLJWCZJGSQDHCM-WLRLJWMZSA-N 1 3 370.541 2.966 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363439162 511551786 /nfs/dbraw/zinc/55/17/86/511551786.db2.gz BMHMJULVZYRGBB-AZUAARDMSA-N 1 3 359.489 2.734 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363439162 511551790 /nfs/dbraw/zinc/55/17/90/511551790.db2.gz BMHMJULVZYRGBB-AZUAARDMSA-N 1 3 359.489 2.734 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000296099056 511619386 /nfs/dbraw/zinc/61/93/86/511619386.db2.gz GNSLRTMTARKMTC-UHFFFAOYSA-N 1 3 370.541 2.967 20 0 FFADHO CS(=O)(=O)[C@H]1CCC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000284283183 511667675 /nfs/dbraw/zinc/66/76/75/511667675.db2.gz XMKVZHNDZUXCBP-OALUTQOASA-N 1 3 350.528 2.728 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000365836714 511677703 /nfs/dbraw/zinc/67/77/03/511677703.db2.gz JGABVNCIYYWKGB-PWRODBHTSA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000365836714 511677711 /nfs/dbraw/zinc/67/77/11/511677711.db2.gz JGABVNCIYYWKGB-PWRODBHTSA-N 1 3 351.579 2.808 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284543186 511765828 /nfs/dbraw/zinc/76/58/28/511765828.db2.gz XOTWEGSSTXKYLA-OAHLLOKOSA-N 1 3 354.926 2.812 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COCc1ccccc1F ZINC000312506692 511784249 /nfs/dbraw/zinc/78/42/49/511784249.db2.gz RJEGAGYLIJVZEL-PZJWPPBQSA-N 1 3 372.484 2.815 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1F ZINC000312506692 511784254 /nfs/dbraw/zinc/78/42/54/511784254.db2.gz RJEGAGYLIJVZEL-PZJWPPBQSA-N 1 3 372.484 2.815 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)[C@H]1c1ccccc1 ZINC000296552931 511794187 /nfs/dbraw/zinc/79/41/87/511794187.db2.gz RHDKTUJLFMDSEO-VQTJNVASSA-N 1 3 356.514 2.748 20 0 FFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000363923456 511854067 /nfs/dbraw/zinc/85/40/67/511854067.db2.gz HAGYAFONECUKCF-QMMLZNLJSA-N 1 3 368.525 2.803 20 0 FFADHO Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCCN(C)C)c1 ZINC000296854000 511923766 /nfs/dbraw/zinc/92/37/66/511923766.db2.gz MHTCVYGXRNBLFR-ALOPSCKCSA-N 1 3 360.502 2.682 20 0 FFADHO Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCCN(C)C)c1 ZINC000296854000 511923770 /nfs/dbraw/zinc/92/37/70/511923770.db2.gz MHTCVYGXRNBLFR-ALOPSCKCSA-N 1 3 360.502 2.682 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000285025038 511972598 /nfs/dbraw/zinc/97/25/98/511972598.db2.gz MQVBENLJWLPTEW-QUCCMNQESA-N 1 3 373.541 2.692 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000285025038 511972603 /nfs/dbraw/zinc/97/26/03/511972603.db2.gz MQVBENLJWLPTEW-QUCCMNQESA-N 1 3 373.541 2.692 20 0 FFADHO Cn1ncc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000293734938 512067710 /nfs/dbraw/zinc/06/77/10/512067710.db2.gz ORDNPRVYWNNKPI-HMXCVIKNSA-N 1 3 353.514 2.638 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@H]2CCC(C)(C)O2)CC1 ZINC000411177048 512504811 /nfs/dbraw/zinc/50/48/11/512504811.db2.gz UYTZYJQCPRMOER-GOSISDBHSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000373819337 512521261 /nfs/dbraw/zinc/52/12/61/512521261.db2.gz XAPGABDNVOEVER-CEWLAPEOSA-N 1 3 354.498 2.864 20 0 FFADHO c1cc(CN2CCN(C[C@H]3CCOC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411309039 512574178 /nfs/dbraw/zinc/57/41/78/512574178.db2.gz KWIGNDJPUMZYNC-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO COc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000371871184 512612091 /nfs/dbraw/zinc/61/20/91/512612091.db2.gz YDUZBBBSQOTINS-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000374004140 512616608 /nfs/dbraw/zinc/61/66/08/512616608.db2.gz VPGDTLKSHBXUQG-KNQAVFIVSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000374004140 512616610 /nfs/dbraw/zinc/61/66/10/512616610.db2.gz VPGDTLKSHBXUQG-KNQAVFIVSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000371966780 512658208 /nfs/dbraw/zinc/65/82/08/512658208.db2.gz NLGXNXOLJFWRRC-BTHPGYMESA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000371966780 512658213 /nfs/dbraw/zinc/65/82/13/512658213.db2.gz NLGXNXOLJFWRRC-BTHPGYMESA-N 1 3 356.514 2.575 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000371983338 512666392 /nfs/dbraw/zinc/66/63/92/512666392.db2.gz GOPCRLWXUYRQPO-SJBKTWHCSA-N 1 3 358.574 2.513 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000369913372 512678840 /nfs/dbraw/zinc/67/88/40/512678840.db2.gz QAKCSWSASWVETI-QHAWAJNXSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000369913372 512678847 /nfs/dbraw/zinc/67/88/47/512678847.db2.gz QAKCSWSASWVETI-QHAWAJNXSA-N 1 3 370.541 2.919 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000367914292 512721659 /nfs/dbraw/zinc/72/16/59/512721659.db2.gz BPKVOCMFPJJZGB-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000376231706 512722475 /nfs/dbraw/zinc/72/24/75/512722475.db2.gz JKHDXFKAFDZHSX-DBXWQHBBSA-N 1 3 359.514 2.999 20 0 FFADHO C[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000378581040 512835280 /nfs/dbraw/zinc/83/52/80/512835280.db2.gz MNMYRDAQNRAPIN-GOSISDBHSA-N 1 3 362.562 2.934 20 0 FFADHO C[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000378581040 512835284 /nfs/dbraw/zinc/83/52/84/512835284.db2.gz MNMYRDAQNRAPIN-GOSISDBHSA-N 1 3 362.562 2.934 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CNCc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000379661230 512870462 /nfs/dbraw/zinc/87/04/62/512870462.db2.gz DSRBEZNOKPDRQQ-LAUBAEHRSA-N 1 3 351.494 2.900 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CNCc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000379661230 512870465 /nfs/dbraw/zinc/87/04/65/512870465.db2.gz DSRBEZNOKPDRQQ-LAUBAEHRSA-N 1 3 351.494 2.900 20 0 FFADHO OC1(CNCc2cnc3ccccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000397574962 512947353 /nfs/dbraw/zinc/94/73/53/512947353.db2.gz BYXQCRSLRWVRBS-UHFFFAOYSA-N 1 3 362.477 2.747 20 0 FFADHO COc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc(OC)c1 ZINC000397574335 512948066 /nfs/dbraw/zinc/94/80/66/512948066.db2.gz BICVRWHLYKPGRL-UHFFFAOYSA-N 1 3 370.493 2.821 20 0 FFADHO COc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1OC ZINC000397656810 512949576 /nfs/dbraw/zinc/94/95/76/512949576.db2.gz YQSNFNRSYQKVKT-UHFFFAOYSA-N 1 3 370.493 2.821 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)[C@H](C)C1 ZINC000412125176 512970494 /nfs/dbraw/zinc/97/04/94/512970494.db2.gz GOYJDZKYJAKMNJ-QQXKLLMISA-N 1 3 353.551 2.501 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)[C@H](C)C1 ZINC000412125176 512970501 /nfs/dbraw/zinc/97/05/01/512970501.db2.gz GOYJDZKYJAKMNJ-QQXKLLMISA-N 1 3 353.551 2.501 20 0 FFADHO C[NH+](C)CC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000376956874 513067000 /nfs/dbraw/zinc/06/70/00/513067000.db2.gz HRJZLPMDDCLNJJ-LJQANCHMSA-N 1 3 365.468 2.729 20 0 FFADHO CO[C@H](C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374914832 513070244 /nfs/dbraw/zinc/07/02/44/513070244.db2.gz QFNXUAHTSRFMNM-PWIZWCRZSA-N 1 3 365.949 2.985 20 0 FFADHO CO[C@H](C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374914832 513070247 /nfs/dbraw/zinc/07/02/47/513070247.db2.gz QFNXUAHTSRFMNM-PWIZWCRZSA-N 1 3 365.949 2.985 20 0 FFADHO CO[C@H](CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374914832 513070254 /nfs/dbraw/zinc/07/02/54/513070254.db2.gz QFNXUAHTSRFMNM-PWIZWCRZSA-N 1 3 365.949 2.985 20 0 FFADHO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000445896340 513142005 /nfs/dbraw/zinc/14/20/05/513142005.db2.gz ZPJXVIKVARSDOI-JKSUJKDBSA-N 1 3 359.436 2.972 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417692165 513165123 /nfs/dbraw/zinc/16/51/23/513165123.db2.gz NYRLOTVCEHZGOV-HLIPFELVSA-N 1 3 358.530 2.981 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417691155 513165335 /nfs/dbraw/zinc/16/53/35/513165335.db2.gz MJQZHNYENAEFCZ-SCTDSRPQSA-N 1 3 358.530 2.981 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417692540 513165486 /nfs/dbraw/zinc/16/54/86/513165486.db2.gz YQRRLSWQDPBAFR-XLIONFOSSA-N 1 3 372.557 2.758 20 0 FFADHO CCc1ccc2[nH+]ccc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2c1 ZINC000450392985 513173172 /nfs/dbraw/zinc/17/31/72/513173172.db2.gz PKYWSLGUWSIONZ-FQEVSTJZSA-N 1 3 352.482 2.540 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1NCCc2ccccc21 ZINC000417709372 513175014 /nfs/dbraw/zinc/17/50/14/513175014.db2.gz ORQZUUPROAZGPT-HXUWFJFHSA-N 1 3 358.530 2.829 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCCC[NH2+]C2CC2)[C@H]1c1cccs1 ZINC000417741024 513190457 /nfs/dbraw/zinc/19/04/57/513190457.db2.gz SRCZZRGCHTUZNH-YOEHRIQHSA-N 1 3 350.532 2.572 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCNC(C)(C)C2)[C@@H]1c1cccs1 ZINC000417740742 513190691 /nfs/dbraw/zinc/19/06/91/513190691.db2.gz SDMAYZWOCSSNHF-GDBMZVCRSA-N 1 3 350.532 2.524 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCNC(C)(C)C2)[C@@H]1c1cccs1 ZINC000417740742 513190693 /nfs/dbraw/zinc/19/06/93/513190693.db2.gz SDMAYZWOCSSNHF-GDBMZVCRSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)[C@H]1c1cccs1 ZINC000417741458 513190722 /nfs/dbraw/zinc/19/07/22/513190722.db2.gz ULXBELPAHXADLJ-RYRKJORJSA-N 1 3 364.559 2.962 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417814431 513218841 /nfs/dbraw/zinc/21/88/41/513218841.db2.gz AYWMLXXLRGYSBC-RLLQIKCJSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000417849459 513235993 /nfs/dbraw/zinc/23/59/93/513235993.db2.gz WNSDKDAULCGOTL-ICSRJNTNSA-N 1 3 370.541 2.825 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(OC)c3OC)CC2)CC1 ZINC000421375157 513242271 /nfs/dbraw/zinc/24/22/71/513242271.db2.gz OWENHDTWBBNTHT-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO CC(C)N(Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C2)cc1)C[C@@H]1CCCCO1 ZINC000415413013 513248171 /nfs/dbraw/zinc/24/81/71/513248171.db2.gz YFACOBGWCLVLOU-PMACEKPBSA-N 1 3 374.529 2.950 20 0 FFADHO CN1CC[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000417933328 513286354 /nfs/dbraw/zinc/28/63/54/513286354.db2.gz DNLITEHURRPVST-SFTDATJTSA-N 1 3 366.509 2.992 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418042677 513351589 /nfs/dbraw/zinc/35/15/89/513351589.db2.gz XSRFSRYDFGAARS-WOZUAGRISA-N 1 3 372.557 2.912 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000418065120 513358948 /nfs/dbraw/zinc/35/89/48/513358948.db2.gz LBETXJSSTUUPDP-QZTJIDSGSA-N 1 3 358.530 2.810 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418110775 513376142 /nfs/dbraw/zinc/37/61/42/513376142.db2.gz WRVVQIKGOFGARS-UHFFFAOYSA-N 1 3 364.456 2.608 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000418132584 513385528 /nfs/dbraw/zinc/38/55/28/513385528.db2.gz DURBXXBLOBFWFY-PLACYPQZSA-N 1 3 370.541 2.584 20 0 FFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000450892420 513388195 /nfs/dbraw/zinc/38/81/95/513388195.db2.gz OBXVPHFSWWOLOV-QGZVFWFLSA-N 1 3 366.509 2.896 20 0 FFADHO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429492094 513391713 /nfs/dbraw/zinc/39/17/13/513391713.db2.gz MJACMJACLAWKLG-WOJBJXKFSA-N 1 3 372.557 2.805 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418153142 513394848 /nfs/dbraw/zinc/39/48/48/513394848.db2.gz IIYYKIWXLABNOS-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418158515 513396440 /nfs/dbraw/zinc/39/64/40/513396440.db2.gz PXWKMKRUBIENMT-SIKLNZKXSA-N 1 3 370.541 2.682 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NCC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418162788 513399458 /nfs/dbraw/zinc/39/94/58/513399458.db2.gz CZEQDPAWZTYNRP-GOSISDBHSA-N 1 3 364.921 2.942 20 0 FFADHO CCCN(C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)C1CC[NH2+]CC1 ZINC000418164848 513400692 /nfs/dbraw/zinc/40/06/92/513400692.db2.gz IRYMPJYTNGDKDW-NVXWUHKLSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccco1 ZINC000418168092 513402569 /nfs/dbraw/zinc/40/25/69/513402569.db2.gz NVOFMCLMKTWCTO-RYQLBKOJSA-N 1 3 362.518 2.740 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC[C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000418181263 513408917 /nfs/dbraw/zinc/40/89/17/513408917.db2.gz LFQKNUZFISEBBL-RHSMWYFYSA-N 1 3 354.926 2.878 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418193120 513414586 /nfs/dbraw/zinc/41/45/86/513414586.db2.gz NGKLPUXCJANLTJ-RLLQIKCJSA-N 1 3 360.546 2.914 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000418198951 513417911 /nfs/dbraw/zinc/41/79/11/513417911.db2.gz WFHKZWCUVJCNPV-HXUWFJFHSA-N 1 3 360.546 2.868 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N(CC)CC)cc1 ZINC000418208745 513423389 /nfs/dbraw/zinc/42/33/89/513423389.db2.gz DIOZUHHSNFZQBU-AZUAARDMSA-N 1 3 360.546 2.931 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@@H](C)C1 ZINC000415883236 513462123 /nfs/dbraw/zinc/46/21/23/513462123.db2.gz NBRWFEOSVPZQCE-JXFKEZNVSA-N 1 3 374.529 2.591 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@@H](C)C1 ZINC000415883236 513462129 /nfs/dbraw/zinc/46/21/29/513462129.db2.gz NBRWFEOSVPZQCE-JXFKEZNVSA-N 1 3 374.529 2.591 20 0 FFADHO CN(CCCN(C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)Cc1ccco1 ZINC000415890897 513463570 /nfs/dbraw/zinc/46/35/70/513463570.db2.gz FJCLEYIWZRNEII-UHFFFAOYSA-N 1 3 356.470 2.911 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000415897230 513467600 /nfs/dbraw/zinc/46/76/00/513467600.db2.gz FTNMMDHSXRIVGD-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000447411542 513470516 /nfs/dbraw/zinc/47/05/16/513470516.db2.gz BDBXGQGVUWQUCM-KRWDZBQOSA-N 1 3 352.523 2.719 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418341841 513471715 /nfs/dbraw/zinc/47/17/15/513471715.db2.gz MNKSTCGLKIUKSF-IAGOWNOFSA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000418346270 513475200 /nfs/dbraw/zinc/47/52/00/513475200.db2.gz HRIIMRQPOFZSBK-CTNGQTDRSA-N 1 3 358.530 2.937 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000418346270 513475208 /nfs/dbraw/zinc/47/52/08/513475208.db2.gz HRIIMRQPOFZSBK-CTNGQTDRSA-N 1 3 358.530 2.937 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCCc2ccc(OCCN(C)C)cc2)c1 ZINC000415915751 513477287 /nfs/dbraw/zinc/47/72/87/513477287.db2.gz GIALLYBUOJVCBW-UHFFFAOYSA-N 1 3 370.497 2.711 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418347600 513477984 /nfs/dbraw/zinc/47/79/84/513477984.db2.gz QONMHWFAULOZPI-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO [NH3+]C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000418371118 513487417 /nfs/dbraw/zinc/48/74/17/513487417.db2.gz XARDCIULJMSSGQ-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418374519 513488622 /nfs/dbraw/zinc/48/86/22/513488622.db2.gz CUJNDZVZBNLOCF-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418428500 513506050 /nfs/dbraw/zinc/50/60/50/513506050.db2.gz MNRSZEAXKFSJLL-RTWAWAEBSA-N 1 3 366.509 2.992 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418435459 513508966 /nfs/dbraw/zinc/50/89/66/513508966.db2.gz WOZGNQUTZBLZKB-HSALFYBXSA-N 1 3 358.530 2.810 20 0 FFADHO N[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000418452375 513516691 /nfs/dbraw/zinc/51/66/91/513516691.db2.gz NWLSDUFBGOPAPT-ICSRJNTNSA-N 1 3 358.530 2.984 20 0 FFADHO COCCO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603024 513520614 /nfs/dbraw/zinc/52/06/14/513520614.db2.gz VASBQSLWMUVNSJ-QMCAAQAGSA-N 1 3 374.525 2.592 20 0 FFADHO COCCO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603024 513520625 /nfs/dbraw/zinc/52/06/25/513520625.db2.gz VASBQSLWMUVNSJ-QMCAAQAGSA-N 1 3 374.525 2.592 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000418499267 513535351 /nfs/dbraw/zinc/53/53/51/513535351.db2.gz LXYCTFYGOYAYPF-CDHQVMDDSA-N 1 3 354.498 2.964 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000418499267 513535359 /nfs/dbraw/zinc/53/53/59/513535359.db2.gz LXYCTFYGOYAYPF-CDHQVMDDSA-N 1 3 354.498 2.964 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000416015396 513539593 /nfs/dbraw/zinc/53/95/93/513539593.db2.gz WGBCHEFJKPESDM-GOEBONIOSA-N 1 3 372.435 2.572 20 0 FFADHO CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418541625 513549759 /nfs/dbraw/zinc/54/97/59/513549759.db2.gz FAFVNRMKQGNYEX-RAUXBKROSA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000416044122 513553498 /nfs/dbraw/zinc/55/34/98/513553498.db2.gz LTLHGUPXJIPYTJ-OLZOCXBDSA-N 1 3 366.815 2.522 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F)N(C)C ZINC000416054957 513558342 /nfs/dbraw/zinc/55/83/42/513558342.db2.gz XFBKJHLCOUOGSX-CFVMTHIKSA-N 1 3 360.424 2.565 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000430142617 513566859 /nfs/dbraw/zinc/56/68/59/513566859.db2.gz VAGKKEOPHLMFKU-ZRCGQRJVSA-N 1 3 370.585 2.991 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000430142617 513566868 /nfs/dbraw/zinc/56/68/68/513566868.db2.gz VAGKKEOPHLMFKU-ZRCGQRJVSA-N 1 3 370.585 2.991 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418623226 513581411 /nfs/dbraw/zinc/58/14/11/513581411.db2.gz WKUAKKVPKLOZHI-SXLOBPIMSA-N 1 3 358.530 2.538 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000418634049 513584494 /nfs/dbraw/zinc/58/44/94/513584494.db2.gz JASZQDNKCCKTTB-AZUAARDMSA-N 1 3 356.514 2.533 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418647477 513589333 /nfs/dbraw/zinc/58/93/33/513589333.db2.gz YHVNZTDBCXQPLC-ICSRJNTNSA-N 1 3 356.514 2.533 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@@H](C)C1 ZINC000418653744 513594489 /nfs/dbraw/zinc/59/44/89/513594489.db2.gz AXYYNOVZFMSUQN-ONCXSQPRSA-N 1 3 358.530 2.838 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@@H](C)C1 ZINC000418653746 513594661 /nfs/dbraw/zinc/59/46/61/513594661.db2.gz AXYYNOVZFMSUQN-XEYPJELSSA-N 1 3 358.530 2.838 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000418690415 513613743 /nfs/dbraw/zinc/61/37/43/513613743.db2.gz WUQSAXCCCZKMPY-WGSAOQKQSA-N 1 3 360.546 2.833 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418711436 513620962 /nfs/dbraw/zinc/62/09/62/513620962.db2.gz FUGJSFGQJRRSHI-HSALFYBXSA-N 1 3 373.545 2.595 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1)CC1CC1 ZINC000418776319 513652858 /nfs/dbraw/zinc/65/28/58/513652858.db2.gz WZPWGTHICLZWFU-KRWDZBQOSA-N 1 3 372.504 2.527 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1)CC1CC1 ZINC000418776319 513652861 /nfs/dbraw/zinc/65/28/61/513652861.db2.gz WZPWGTHICLZWFU-KRWDZBQOSA-N 1 3 372.504 2.527 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000418786436 513657466 /nfs/dbraw/zinc/65/74/66/513657466.db2.gz ICEAUNTUTFQODH-AYWYSENESA-N 1 3 370.541 2.681 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1ccsc1 ZINC000425647389 513677037 /nfs/dbraw/zinc/67/70/37/513677037.db2.gz HEMVBMIGBVILFS-RYQLBKOJSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000442604240 513742938 /nfs/dbraw/zinc/74/29/38/513742938.db2.gz KFBPYHJQOHFINB-WIYYLYMNSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765050 513773111 /nfs/dbraw/zinc/77/31/11/513773111.db2.gz UPGWYSPQRXLNBW-QZTJIDSGSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765050 513773119 /nfs/dbraw/zinc/77/31/19/513773119.db2.gz UPGWYSPQRXLNBW-QZTJIDSGSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000442765050 513773122 /nfs/dbraw/zinc/77/31/22/513773122.db2.gz UPGWYSPQRXLNBW-QZTJIDSGSA-N 1 3 351.494 2.951 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000430908826 513778935 /nfs/dbraw/zinc/77/89/35/513778935.db2.gz KYBQKFBTZYSMQJ-WOZUAGRISA-N 1 3 373.541 2.733 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000430917293 513780170 /nfs/dbraw/zinc/78/01/70/513780170.db2.gz YJHWMGZOERLBSF-KRIYCRJKSA-N 1 3 373.541 2.733 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)C3(C[NH3+])CCCC3)CC2)c1 ZINC000431020083 513805941 /nfs/dbraw/zinc/80/59/41/513805941.db2.gz WJDQWMYFTGFOCH-UHFFFAOYSA-N 1 3 372.557 2.533 20 0 FFADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000451529240 513812716 /nfs/dbraw/zinc/81/27/16/513812716.db2.gz NAOIJGDCIMUIIA-BVSLBCMMSA-N 1 3 355.526 2.809 20 0 FFADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000451529240 513812722 /nfs/dbraw/zinc/81/27/22/513812722.db2.gz NAOIJGDCIMUIIA-BVSLBCMMSA-N 1 3 355.526 2.809 20 0 FFADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057493 513854833 /nfs/dbraw/zinc/85/48/33/513854833.db2.gz GSLYNZZGVVICGK-OLZOCXBDSA-N 1 3 354.292 2.837 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1cccc(OC)c1 ZINC000422587172 513858355 /nfs/dbraw/zinc/85/83/55/513858355.db2.gz DIARNKCGJQZPBQ-QGZVFWFLSA-N 1 3 350.507 2.505 20 0 FFADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436551197 513895017 /nfs/dbraw/zinc/89/50/17/513895017.db2.gz WYYVLGNTTRZPLN-UHFFFAOYSA-N 1 3 361.530 2.617 20 0 FFADHO Fc1ccc(CN2CCC(N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422721493 513912173 /nfs/dbraw/zinc/91/21/73/513912173.db2.gz OAGBGFLTKFOPOK-QHAWAJNXSA-N 1 3 361.505 2.537 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422719257 513912308 /nfs/dbraw/zinc/91/23/08/513912308.db2.gz YAGMGPQYLNOJKQ-QRVBRYPASA-N 1 3 350.528 2.502 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422763584 513925357 /nfs/dbraw/zinc/92/53/57/513925357.db2.gz OWYFIYTXXSRTTN-BULFRSBZSA-N 1 3 371.500 2.747 20 0 FFADHO c1ccc(CN2CCO[C@H](CN[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1 ZINC000422768033 513927683 /nfs/dbraw/zinc/92/76/83/513927683.db2.gz NNBFKTNEYUFYMM-DNVJHFABSA-N 1 3 365.521 2.970 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](c2ccccc2)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000422777730 513928527 /nfs/dbraw/zinc/92/85/27/513928527.db2.gz GINIJNJPIBWXMN-QXAKKESOSA-N 1 3 360.498 2.818 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787990 513932185 /nfs/dbraw/zinc/93/21/85/513932185.db2.gz MUWFULOYNRUKBJ-BMFZPTHFSA-N 1 3 360.420 2.986 20 0 FFADHO Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422790380 513933373 /nfs/dbraw/zinc/93/33/73/513933373.db2.gz TZGAQFSHIOIKDL-GCJKJVERSA-N 1 3 368.525 2.881 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422794465 513934528 /nfs/dbraw/zinc/93/45/28/513934528.db2.gz GSFYRZPNIIDXHI-SZMVWBNQSA-N 1 3 360.498 2.612 20 0 FFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccc(Br)cc1 ZINC000422798366 513936191 /nfs/dbraw/zinc/93/61/91/513936191.db2.gz QUGBYUPIITWBAT-NOXHYTERSA-N 1 3 357.292 2.558 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422799463 513936449 /nfs/dbraw/zinc/93/64/49/513936449.db2.gz WVQPNDPDYHEIJO-FRFSOERESA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422799463 513936451 /nfs/dbraw/zinc/93/64/51/513936451.db2.gz WVQPNDPDYHEIJO-FRFSOERESA-N 1 3 360.420 2.714 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000422802043 513937550 /nfs/dbraw/zinc/93/75/50/513937550.db2.gz GRQGYYMXJVTNMB-NYVOZVTQSA-N 1 3 353.510 2.608 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000422802898 513937679 /nfs/dbraw/zinc/93/76/79/513937679.db2.gz HVKHDIMVDGBLCZ-IERDGZPVSA-N 1 3 354.498 2.573 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000422808692 513939118 /nfs/dbraw/zinc/93/91/18/513939118.db2.gz LIRXVPUBYFFWBA-SFHVURJKSA-N 1 3 367.541 2.712 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H]3CCC[C@@H]32)CC1 ZINC000426460700 513946805 /nfs/dbraw/zinc/94/68/05/513946805.db2.gz PZTAZWDGVBPAAP-NQIIRXRSSA-N 1 3 355.526 2.950 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416785144 513967585 /nfs/dbraw/zinc/96/75/85/513967585.db2.gz KSQVLEFFFZLMBD-HXUWFJFHSA-N 1 3 370.541 2.999 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416791204 513968434 /nfs/dbraw/zinc/96/84/34/513968434.db2.gz WAAMJHXKRJGREA-FPOVZHCZSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000422896454 513968851 /nfs/dbraw/zinc/96/88/51/513968851.db2.gz IHIJBURJFWPTCR-SZMVWBNQSA-N 1 3 360.498 2.959 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000416791207 513969049 /nfs/dbraw/zinc/96/90/49/513969049.db2.gz WACVVYIJODHZTL-IBGZPJMESA-N 1 3 356.514 2.609 20 0 FFADHO CCCN(C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000416797617 513970257 /nfs/dbraw/zinc/97/02/57/513970257.db2.gz YMSKKMBLYHOALE-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2COc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000422930385 513979664 /nfs/dbraw/zinc/97/96/64/513979664.db2.gz TZPWWIBINXFFNX-SWLSCSKDSA-N 1 3 352.862 2.685 20 0 FFADHO COc1cc(OC)cc(OCCC[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422930250 513980467 /nfs/dbraw/zinc/98/04/67/513980467.db2.gz SOXIPTJOHZYVJV-CQSZACIVSA-N 1 3 359.470 2.986 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000422945773 513986625 /nfs/dbraw/zinc/98/66/25/513986625.db2.gz NVGICJJYRKPDMU-XNFNUYLZSA-N 1 3 359.514 2.543 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000416829973 513986745 /nfs/dbraw/zinc/98/67/45/513986745.db2.gz GHDUKHPBLSYBEU-DLBZAZTESA-N 1 3 364.559 2.915 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416828304 513988002 /nfs/dbraw/zinc/98/80/02/513988002.db2.gz DPYZIRUJRHHJQU-HOTGVXAUSA-N 1 3 352.548 2.804 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCC(=O)N1CCc2ccccc21 ZINC000422951886 513988664 /nfs/dbraw/zinc/98/86/64/513988664.db2.gz AQBIWAQHKNNXLG-XLIONFOSSA-N 1 3 351.494 2.904 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000416834419 513989884 /nfs/dbraw/zinc/98/98/84/513989884.db2.gz XWWDJSISKNECDS-APWZRJJASA-N 1 3 362.518 2.649 20 0 FFADHO [NH3+]C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000416837668 513993932 /nfs/dbraw/zinc/99/39/32/513993932.db2.gz IGOFERFJIZEZDD-JKSUJKDBSA-N 1 3 350.532 2.702 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416842451 513997044 /nfs/dbraw/zinc/99/70/44/513997044.db2.gz NDWFWNQYENNQTC-WFVVYAPDSA-N 1 3 362.543 2.809 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000416844426 513998897 /nfs/dbraw/zinc/99/88/97/513998897.db2.gz PUZSZKIIWPMRBM-MRXNPFEDSA-N 1 3 362.543 2.670 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N(C)C)cc1OC ZINC000422986491 513999571 /nfs/dbraw/zinc/99/95/71/513999571.db2.gz HAEHBQGYZGWOMK-LIRRHRJNSA-N 1 3 372.513 2.819 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N(C)C)cc1OC ZINC000422986490 514000118 /nfs/dbraw/zinc/00/01/18/514000118.db2.gz HAEHBQGYZGWOMK-KUHUBIRLSA-N 1 3 372.513 2.819 20 0 FFADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000416848489 514000422 /nfs/dbraw/zinc/00/04/22/514000422.db2.gz WVDXQUKAZUBWJC-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414188796 514003089 /nfs/dbraw/zinc/00/30/89/514003089.db2.gz JHIWRIXKVXVCIS-LEWJYISDSA-N 1 3 357.542 2.709 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416852322 514003445 /nfs/dbraw/zinc/00/34/45/514003445.db2.gz MKMVPSHRJYIRHF-QUCCMNQESA-N 1 3 374.529 2.664 20 0 FFADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000423037226 514013468 /nfs/dbraw/zinc/01/34/68/514013468.db2.gz VVKNAVUWPSVADM-OKZBNKHCSA-N 1 3 374.460 2.555 20 0 FFADHO [NH3+]CC1CCC(N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000423054802 514020905 /nfs/dbraw/zinc/02/09/05/514020905.db2.gz VESJUTQTMSVVNP-PIMMBPRGSA-N 1 3 355.404 2.918 20 0 FFADHO Cc1ccccc1C[C@H](CO)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423061736 514024683 /nfs/dbraw/zinc/02/46/83/514024683.db2.gz RNCRBNIUEXQRMB-CBQOVEMMSA-N 1 3 352.478 2.744 20 0 FFADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423078044 514031210 /nfs/dbraw/zinc/03/12/10/514031210.db2.gz NNAQRPPEGDCBTG-FBBABVLZSA-N 1 3 356.441 2.575 20 0 FFADHO O=C(N1CCCC1)N1CCC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423105510 514042874 /nfs/dbraw/zinc/04/28/74/514042874.db2.gz NQGPWVVTEHBCGN-UFYCRDLUSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423112745 514047103 /nfs/dbraw/zinc/04/71/03/514047103.db2.gz KGVXFMWHLSIHNG-QYZOEREBSA-N 1 3 359.514 2.567 20 0 FFADHO CS(=O)(=O)c1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc(C(F)(F)F)c1 ZINC000423113768 514047732 /nfs/dbraw/zinc/04/77/32/514047732.db2.gz ZARQIAIEWRSTET-LSDHHAIUSA-N 1 3 364.433 2.859 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](COC)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000423119423 514049549 /nfs/dbraw/zinc/04/95/49/514049549.db2.gz CIEFNBWCCUUCAY-PBHICJAKSA-N 1 3 368.905 2.939 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)CC[NH2+]CC1 ZINC000423123693 514050640 /nfs/dbraw/zinc/05/06/40/514050640.db2.gz LQARFHTYRODDOK-IGCXYCKISA-N 1 3 350.434 2.559 20 0 FFADHO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000423143786 514058128 /nfs/dbraw/zinc/05/81/28/514058128.db2.gz XXCKPFSEEDKZKV-SPLOXXLWSA-N 1 3 373.497 2.510 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccnc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000423151891 514061811 /nfs/dbraw/zinc/06/18/11/514061811.db2.gz DGUAZYQMYCLTIE-GFCCVEGCSA-N 1 3 359.392 2.511 20 0 FFADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000420277443 514069123 /nfs/dbraw/zinc/06/91/23/514069123.db2.gz UAMJKCWBSDOGAK-DOMZBBRYSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000420277443 514069125 /nfs/dbraw/zinc/06/91/25/514069125.db2.gz UAMJKCWBSDOGAK-DOMZBBRYSA-N 1 3 354.292 2.979 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416970145 514076097 /nfs/dbraw/zinc/07/60/97/514076097.db2.gz DNNVZCLLPLVDAT-RBUKOAKNSA-N 1 3 358.530 2.510 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3C[C@@H](C)NC[C@@H]3C)cc2)CC1 ZINC000416972508 514078501 /nfs/dbraw/zinc/07/85/01/514078501.db2.gz INCZQODZJAJMNL-MSOLQXFVSA-N 1 3 358.530 2.810 20 0 FFADHO Fc1cc(Br)ccc1[C@H](NCCN1CC[NH2+]CC1)C1CC1 ZINC000423202999 514078777 /nfs/dbraw/zinc/07/87/77/514078777.db2.gz LXTYQWMFPBXYAM-MRXNPFEDSA-N 1 3 356.283 2.534 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000420298833 514079086 /nfs/dbraw/zinc/07/90/86/514079086.db2.gz HZANSRQFQQZRGO-APWZRJJASA-N 1 3 361.530 2.610 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@H]21 ZINC000420300685 514079972 /nfs/dbraw/zinc/07/99/72/514079972.db2.gz DAEWMUOOEJTRIO-ZPUIDXCVSA-N 1 3 351.853 2.644 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449129965 514084144 /nfs/dbraw/zinc/08/41/44/514084144.db2.gz DYFRWAIHNBKGOF-BBRMVZONSA-N 1 3 355.448 2.954 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CCN(CCc3ccccc3)CC2)cc1 ZINC000420310837 514085750 /nfs/dbraw/zinc/08/57/50/514085750.db2.gz VFZVEFWIMIMAFJ-NRFANRHFSA-N 1 3 353.510 2.598 20 0 FFADHO O=C(NC[C@@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000420318379 514090341 /nfs/dbraw/zinc/09/03/41/514090341.db2.gz NZFAEEUYSQERHZ-ZOCIIQOWSA-N 1 3 361.917 2.908 20 0 FFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1=O ZINC000420321935 514092522 /nfs/dbraw/zinc/09/25/22/514092522.db2.gz DGBJSAWULURXDQ-QKLQHJQFSA-N 1 3 359.489 2.951 20 0 FFADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423265016 514096643 /nfs/dbraw/zinc/09/66/43/514096643.db2.gz AORPPZFIRNXZKS-CWRNSKLLSA-N 1 3 373.950 2.806 20 0 FFADHO [NH3+]C[C@H]1CN(CCOc2ccc(C(F)(F)F)cc2)CC12CCOCC2 ZINC000420338855 514100063 /nfs/dbraw/zinc/10/00/63/514100063.db2.gz YDRLGVGXUADSFM-HNNXBMFYSA-N 1 3 358.404 2.772 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000420346051 514104517 /nfs/dbraw/zinc/10/45/17/514104517.db2.gz WDXATVOLSRKNNH-VWPQPMDRSA-N 1 3 355.526 2.966 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346613 514105905 /nfs/dbraw/zinc/10/59/05/514105905.db2.gz YZKAARNCYKTUIH-XLAORIBOSA-N 1 3 359.514 2.582 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@@H]1C ZINC000444035349 514105949 /nfs/dbraw/zinc/10/59/49/514105949.db2.gz VQHVECODQJXWFB-FUHWJXTLSA-N 1 3 362.518 2.964 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@@H]1C ZINC000444035349 514105952 /nfs/dbraw/zinc/10/59/52/514105952.db2.gz VQHVECODQJXWFB-FUHWJXTLSA-N 1 3 362.518 2.964 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000437189527 514110023 /nfs/dbraw/zinc/11/00/23/514110023.db2.gz TVYNZLASSAJKHI-NRFANRHFSA-N 1 3 372.557 2.773 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000417005581 514111514 /nfs/dbraw/zinc/11/15/14/514111514.db2.gz DPFBHOZBLMDSEP-NCXUSEDFSA-N 1 3 350.551 2.671 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)c1ccsc1 ZINC000417009570 514115368 /nfs/dbraw/zinc/11/53/68/514115368.db2.gz NPAQJAZNZCECSD-MRXNPFEDSA-N 1 3 352.548 2.820 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417011341 514116507 /nfs/dbraw/zinc/11/65/07/514116507.db2.gz RQFIGNWUMDQQJX-SJLPKXTDSA-N 1 3 350.532 2.526 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000417012166 514118325 /nfs/dbraw/zinc/11/83/25/514118325.db2.gz VZHOZTGVSNSWIJ-IXDOHACOSA-N 1 3 350.532 2.667 20 0 FFADHO CCc1nc2c(s1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423391430 514126625 /nfs/dbraw/zinc/12/66/25/514126625.db2.gz PKQFFXYKRLBGJU-YPMHNXCESA-N 1 3 362.465 2.509 20 0 FFADHO Cc1ccc2c(c1)OCCC[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423393393 514127273 /nfs/dbraw/zinc/12/72/73/514127273.db2.gz RBIOAAOWXYYZJL-DOTOQJQBSA-N 1 3 357.420 2.634 20 0 FFADHO FC(F)(F)[C@H](CN[C@H]1CCCc2c3ccccc3[nH]c21)N1CC[NH2+]CC1 ZINC000423397610 514127641 /nfs/dbraw/zinc/12/76/41/514127641.db2.gz SRGSPQHGCFDXNK-IRXDYDNUSA-N 1 3 366.431 2.971 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423422662 514137608 /nfs/dbraw/zinc/13/76/08/514137608.db2.gz DAOPLWDKJDWMKJ-OALUTQOASA-N 1 3 361.530 2.672 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420415778 514140448 /nfs/dbraw/zinc/14/04/48/514140448.db2.gz VGDHMNRMPUFNEV-MAUKXSAKSA-N 1 3 369.513 2.734 20 0 FFADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423512778 514157891 /nfs/dbraw/zinc/15/78/91/514157891.db2.gz PDSWMUYLTRFQMS-VQTJNVASSA-N 1 3 373.522 2.781 20 0 FFADHO C[C@@H](CN1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449325937 514165996 /nfs/dbraw/zinc/16/59/96/514165996.db2.gz QRCBIKMHLVQGNC-QFBILLFUSA-N 1 3 364.555 2.857 20 0 FFADHO C[C@H](CN1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449325935 514166760 /nfs/dbraw/zinc/16/67/60/514166760.db2.gz QRCBIKMHLVQGNC-APWZRJJASA-N 1 3 364.555 2.857 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](CO)c2cccnc2)CC1 ZINC000449330205 514168768 /nfs/dbraw/zinc/16/87/68/514168768.db2.gz KKRXPXLIXGCVLT-RXVVDRJESA-N 1 3 353.510 2.843 20 0 FFADHO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000414555375 514176833 /nfs/dbraw/zinc/17/68/33/514176833.db2.gz MGNNGEJFGHZPHD-FPOVZHCZSA-N 1 3 373.541 2.679 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000449395664 514195386 /nfs/dbraw/zinc/19/53/86/514195386.db2.gz JSBZAYSJRYCAGK-SIKLNZKXSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000449395664 514195391 /nfs/dbraw/zinc/19/53/91/514195391.db2.gz JSBZAYSJRYCAGK-SIKLNZKXSA-N 1 3 359.558 2.518 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417176522 514210879 /nfs/dbraw/zinc/21/08/79/514210879.db2.gz CHOFNTWGIYVISI-PCCBWWKXSA-N 1 3 372.557 2.723 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1)C1CC1 ZINC000432548199 514225071 /nfs/dbraw/zinc/22/50/71/514225071.db2.gz COIHESLZHZAGJF-SFHVURJKSA-N 1 3 373.541 2.902 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1)C1CC1 ZINC000432548199 514225080 /nfs/dbraw/zinc/22/50/80/514225080.db2.gz COIHESLZHZAGJF-SFHVURJKSA-N 1 3 373.541 2.902 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449514383 514235742 /nfs/dbraw/zinc/23/57/42/514235742.db2.gz YBODNOUPJOCECU-UNMCSNQZSA-N 1 3 357.542 2.715 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2)CC1 ZINC000417219953 514240734 /nfs/dbraw/zinc/24/07/34/514240734.db2.gz XICWIEAYCFYQBP-IRLDBZIGSA-N 1 3 370.541 2.855 20 0 FFADHO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N1CCC(C)CC1 ZINC000414709121 514251260 /nfs/dbraw/zinc/25/12/60/514251260.db2.gz RALUIZHLSHDOPD-LPHOPBHVSA-N 1 3 374.529 2.518 20 0 FFADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H](N)C3CCOCC3)c2)CC1 ZINC000423835365 514255771 /nfs/dbraw/zinc/25/57/71/514255771.db2.gz DLAACTWATSBENJ-HXUWFJFHSA-N 1 3 359.514 2.653 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CC(C)(C)C[NH3+])c(C)c2)CC1 ZINC000414727140 514259027 /nfs/dbraw/zinc/25/90/27/514259027.db2.gz AICSUNQSQHDQBX-UHFFFAOYSA-N 1 3 361.534 2.586 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)CCCC[NH3+])c(C)c2)CC1 ZINC000414727782 514259897 /nfs/dbraw/zinc/25/98/97/514259897.db2.gz BAZUKHOYNDWTQK-KRWDZBQOSA-N 1 3 361.534 2.776 20 0 FFADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000414732491 514262286 /nfs/dbraw/zinc/26/22/86/514262286.db2.gz BUPYHWLHQMYZJD-ICSRJNTNSA-N 1 3 363.521 2.912 20 0 FFADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000414732491 514262295 /nfs/dbraw/zinc/26/22/95/514262295.db2.gz BUPYHWLHQMYZJD-ICSRJNTNSA-N 1 3 363.521 2.912 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000420754769 514278877 /nfs/dbraw/zinc/27/88/77/514278877.db2.gz BYKPUTLCGADRIV-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO CC(C)(C)c1nn(Cc2ccccc2)cc1CNCCCN1CC[NH2+]CC1 ZINC000414779344 514289157 /nfs/dbraw/zinc/28/91/57/514289157.db2.gz JKDYCODZDXCTSU-UHFFFAOYSA-N 1 3 369.557 2.614 20 0 FFADHO [NH3+]C[C@H](NC1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414816880 514307573 /nfs/dbraw/zinc/30/75/73/514307573.db2.gz YLFLVLIJTRDJFT-KRWDZBQOSA-N 1 3 352.320 2.740 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417355264 514308234 /nfs/dbraw/zinc/30/82/34/514308234.db2.gz APYVKLWCYGQFJP-IAGOWNOFSA-N 1 3 364.559 2.792 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444881775 514359290 /nfs/dbraw/zinc/35/92/90/514359290.db2.gz DOVBBAQFYRWGNE-OAQYLSRUSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414932161 514361542 /nfs/dbraw/zinc/36/15/42/514361542.db2.gz CIZHTKJQIJJJIG-LALPHHSUSA-N 1 3 359.392 2.890 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414932161 514361548 /nfs/dbraw/zinc/36/15/48/514361548.db2.gz CIZHTKJQIJJJIG-LALPHHSUSA-N 1 3 359.392 2.890 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](NCc2c(F)ccc(I)c2F)C1 ZINC000415033159 514409001 /nfs/dbraw/zinc/40/90/01/514409001.db2.gz IRFNOOADPWDQGC-IUCAKERBSA-N 1 3 366.193 2.786 20 0 FFADHO CC[NH+]1CCC(N2CCCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)CC1 ZINC000420981667 514419126 /nfs/dbraw/zinc/41/91/26/514419126.db2.gz NIZAGURRTLQNFI-LJQANCHMSA-N 1 3 366.594 2.512 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)CC1 ZINC000420981667 514419131 /nfs/dbraw/zinc/41/91/31/514419131.db2.gz NIZAGURRTLQNFI-LJQANCHMSA-N 1 3 366.594 2.512 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)CC1 ZINC000420981667 514419139 /nfs/dbraw/zinc/41/91/39/514419139.db2.gz NIZAGURRTLQNFI-LJQANCHMSA-N 1 3 366.594 2.512 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417596280 514430310 /nfs/dbraw/zinc/43/03/10/514430310.db2.gz ZMTJYARPISMTLN-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO [NH3+]C1(CNCc2ccc3c(c2)OCCO3)CCN(Cc2ccccc2)CC1 ZINC000415123236 514453582 /nfs/dbraw/zinc/45/35/82/514453582.db2.gz AMYCMJPGPGRASG-UHFFFAOYSA-N 1 3 367.493 2.541 20 0 FFADHO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c2ccccc12 ZINC000415134256 514460689 /nfs/dbraw/zinc/46/06/89/514460689.db2.gz VVHMROILDAFAQB-KRWDZBQOSA-N 1 3 351.454 2.736 20 0 FFADHO CC(C)(C)c1n[nH]cc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415136746 514463044 /nfs/dbraw/zinc/46/30/44/514463044.db2.gz RUDGYNVQMJEREJ-UHFFFAOYSA-N 1 3 355.530 2.790 20 0 FFADHO CCC1(CC)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000445520131 514488187 /nfs/dbraw/zinc/48/81/87/514488187.db2.gz RSWVMJYGMJZXDW-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000439143904 514500156 /nfs/dbraw/zinc/50/01/56/514500156.db2.gz TVKUSKITFSIAOT-MOPGFXCFSA-N 1 3 353.551 2.550 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466209755 514577874 /nfs/dbraw/zinc/57/78/74/514577874.db2.gz JQFIYGYEYQCTJY-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000470723534 514586173 /nfs/dbraw/zinc/58/61/73/514586173.db2.gz PWWGPHUVPWNCNW-DYXWJJEUSA-N 1 3 370.541 2.949 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)cc1 ZINC000453323912 514601458 /nfs/dbraw/zinc/60/14/58/514601458.db2.gz KBSNODKFZIKBBR-PNLZDCPESA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466432457 514645509 /nfs/dbraw/zinc/64/55/09/514645509.db2.gz XGXCUGPNVYMTAV-UZLBHIALSA-N 1 3 358.530 2.810 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000497836185 514654524 /nfs/dbraw/zinc/65/45/24/514654524.db2.gz NLRRJHVDIBRJMW-YLJYHZDGSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000497836185 514654530 /nfs/dbraw/zinc/65/45/30/514654530.db2.gz NLRRJHVDIBRJMW-YLJYHZDGSA-N 1 3 374.529 2.614 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000475442001 514662440 /nfs/dbraw/zinc/66/24/40/514662440.db2.gz ZURLTAJWCLDRDE-HXUWFJFHSA-N 1 3 372.557 2.567 20 0 FFADHO CCO[C@H](C)c1nc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cs1 ZINC000479685163 514687370 /nfs/dbraw/zinc/68/73/70/514687370.db2.gz JLEYVEPFSACMRH-MRXNPFEDSA-N 1 3 366.575 2.748 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000489058250 514689545 /nfs/dbraw/zinc/68/95/45/514689545.db2.gz COYFTFAAWYUUDG-JAXLGGSGSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000489058250 514689552 /nfs/dbraw/zinc/68/95/52/514689552.db2.gz COYFTFAAWYUUDG-JAXLGGSGSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000489071360 514696045 /nfs/dbraw/zinc/69/60/45/514696045.db2.gz IXIQQEGBVWRGSL-YFVAEKQCSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000489071360 514696052 /nfs/dbraw/zinc/69/60/52/514696052.db2.gz IXIQQEGBVWRGSL-YFVAEKQCSA-N 1 3 358.530 2.823 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000508423812 514775766 /nfs/dbraw/zinc/77/57/66/514775766.db2.gz MNMRMGFPKPFDDB-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCCO1 ZINC000455844970 514777172 /nfs/dbraw/zinc/77/71/72/514777172.db2.gz HOJBUIHIECTXCT-OXQOHEQNSA-N 1 3 374.529 2.858 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2cccnc21 ZINC000508455216 514784012 /nfs/dbraw/zinc/78/40/12/514784012.db2.gz YEMUYYYAONSKDY-SFHVURJKSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2cccnc21 ZINC000508455216 514784022 /nfs/dbraw/zinc/78/40/22/514784022.db2.gz YEMUYYYAONSKDY-SFHVURJKSA-N 1 3 354.498 2.723 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000502823743 514793122 /nfs/dbraw/zinc/79/31/22/514793122.db2.gz BPFZKYPSTYAKST-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000502823743 514793132 /nfs/dbraw/zinc/79/31/32/514793132.db2.gz BPFZKYPSTYAKST-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000462084751 514872872 /nfs/dbraw/zinc/87/28/72/514872872.db2.gz NOTZWIRZPDYPNW-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000462084751 514872880 /nfs/dbraw/zinc/87/28/80/514872880.db2.gz NOTZWIRZPDYPNW-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489595239 514911015 /nfs/dbraw/zinc/91/10/15/514911015.db2.gz SJXZEVFRTLAGGR-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489595239 514911021 /nfs/dbraw/zinc/91/10/21/514911021.db2.gz SJXZEVFRTLAGGR-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458580940 514923686 /nfs/dbraw/zinc/92/36/86/514923686.db2.gz ROWSFNSFQZSELT-UYAOXDASSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458580940 514923696 /nfs/dbraw/zinc/92/36/96/514923696.db2.gz ROWSFNSFQZSELT-UYAOXDASSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000508872858 514931926 /nfs/dbraw/zinc/93/19/26/514931926.db2.gz SJKOCUJCTNUFQC-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458655845 514990632 /nfs/dbraw/zinc/99/06/32/514990632.db2.gz RZSPNKIZCKWVFR-CBQOVEMMSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458655845 514990642 /nfs/dbraw/zinc/99/06/42/514990642.db2.gz RZSPNKIZCKWVFR-CBQOVEMMSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@H+](CCN1CCN(CCCc2ccncc2)CC1)Cc1ccccc1 ZINC000462319003 514990929 /nfs/dbraw/zinc/99/09/29/514990929.db2.gz GLPJLRIJYSRPTQ-UHFFFAOYSA-N 1 3 352.526 2.764 20 0 FFADHO C[N@@H+](CCN1CCN(CCCc2ccncc2)CC1)Cc1ccccc1 ZINC000462319003 514990937 /nfs/dbraw/zinc/99/09/37/514990937.db2.gz GLPJLRIJYSRPTQ-UHFFFAOYSA-N 1 3 352.526 2.764 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000458692487 515022135 /nfs/dbraw/zinc/02/21/35/515022135.db2.gz GYDXEIFFSQJMAQ-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO CC1CCN(CCNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000503442448 515035814 /nfs/dbraw/zinc/03/58/14/515035814.db2.gz KBTPWWAZIWOXMY-HXUWFJFHSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@H](NC(=O)N(C)CCN1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714437 515036709 /nfs/dbraw/zinc/03/67/09/515036709.db2.gz LOEXMOCPNNWDNU-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](NC(=O)N(C)CCN1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714437 515036719 /nfs/dbraw/zinc/03/67/19/515036719.db2.gz LOEXMOCPNNWDNU-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@@H](C)C1 ZINC000489938790 515038620 /nfs/dbraw/zinc/03/86/20/515038620.db2.gz PLIICCNBEVBHAZ-FFZBTMFNSA-N 1 3 370.541 2.804 20 0 FFADHO C[C@@H](CCNC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000489980138 515056367 /nfs/dbraw/zinc/05/63/67/515056367.db2.gz IADUILPEHGYHAD-RDGPPVDQSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000472000556 515081192 /nfs/dbraw/zinc/08/11/92/515081192.db2.gz UXMOFOUFIRAHHK-NLWGTHIKSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000467862402 515149425 /nfs/dbraw/zinc/14/94/25/515149425.db2.gz HGIMQEKZQRYILI-UKRRQHHQSA-N 1 3 357.420 2.943 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000476738812 515177821 /nfs/dbraw/zinc/17/78/21/515177821.db2.gz MGWDNIJFDCULIL-JFIYKMOQSA-N 1 3 350.551 2.621 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccco1 ZINC000509576920 515241476 /nfs/dbraw/zinc/24/14/76/515241476.db2.gz IUCWGRGWRBASTB-RCCFBDPRSA-N 1 3 362.518 2.979 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000481262007 515268052 /nfs/dbraw/zinc/26/80/52/515268052.db2.gz WCSBYIYHEORYMH-AFYVEPGGSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000481262007 515268056 /nfs/dbraw/zinc/26/80/56/515268056.db2.gz WCSBYIYHEORYMH-AFYVEPGGSA-N 1 3 356.514 2.575 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459041740 515280546 /nfs/dbraw/zinc/28/05/46/515280546.db2.gz BTRDLSUVHRGQPK-NXEWRWPSSA-N 1 3 356.514 2.528 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459041740 515280552 /nfs/dbraw/zinc/28/05/52/515280552.db2.gz BTRDLSUVHRGQPK-NXEWRWPSSA-N 1 3 356.514 2.528 20 0 FFADHO CC[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000454241382 515331385 /nfs/dbraw/zinc/33/13/85/515331385.db2.gz BVGWACSVNCTMPJ-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000454241382 515331393 /nfs/dbraw/zinc/33/13/93/515331393.db2.gz BVGWACSVNCTMPJ-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000490991367 515349758 /nfs/dbraw/zinc/34/97/58/515349758.db2.gz ARZXHCLXISQGQR-UZLBHIALSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000490991367 515349761 /nfs/dbraw/zinc/34/97/61/515349761.db2.gz ARZXHCLXISQGQR-UZLBHIALSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000490991364 515349872 /nfs/dbraw/zinc/34/98/72/515349872.db2.gz ARZXHCLXISQGQR-OXQOHEQNSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000490991364 515349880 /nfs/dbraw/zinc/34/98/80/515349880.db2.gz ARZXHCLXISQGQR-OXQOHEQNSA-N 1 3 356.489 2.832 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc2cccnc21 ZINC000499520279 515355615 /nfs/dbraw/zinc/35/56/15/515355615.db2.gz LHNOCODNSSCMCN-HXUWFJFHSA-N 1 3 368.525 2.652 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc2cccnc21 ZINC000499520279 515355627 /nfs/dbraw/zinc/35/56/27/515355627.db2.gz LHNOCODNSSCMCN-HXUWFJFHSA-N 1 3 368.525 2.652 20 0 FFADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000468469417 515372719 /nfs/dbraw/zinc/37/27/19/515372719.db2.gz LAVVBYZLUUYJPV-PMACEKPBSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000468469417 515372726 /nfs/dbraw/zinc/37/27/26/515372726.db2.gz LAVVBYZLUUYJPV-PMACEKPBSA-N 1 3 372.557 2.578 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000491119825 515382168 /nfs/dbraw/zinc/38/21/68/515382168.db2.gz WWYWDBQUWJQOHI-OAQYLSRUSA-N 1 3 355.526 2.761 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000491119825 515382177 /nfs/dbraw/zinc/38/21/77/515382177.db2.gz WWYWDBQUWJQOHI-OAQYLSRUSA-N 1 3 355.526 2.761 20 0 FFADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473026639 515483727 /nfs/dbraw/zinc/48/37/27/515483727.db2.gz YBEXIRQLYBRQLJ-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473026639 515483734 /nfs/dbraw/zinc/48/37/34/515483734.db2.gz YBEXIRQLYBRQLJ-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000510292061 515496462 /nfs/dbraw/zinc/49/64/62/515496462.db2.gz ZGAQKLKJGDQYMH-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000510292061 515496475 /nfs/dbraw/zinc/49/64/75/515496475.db2.gz ZGAQKLKJGDQYMH-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)=CCC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454459967 515505990 /nfs/dbraw/zinc/50/59/90/515505990.db2.gz QSVPTFRARAAPIR-KRWDZBQOSA-N 1 3 350.551 2.979 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)c2ccnc(CN)c2)c2cccs2)CC1 ZINC000463486921 515520329 /nfs/dbraw/zinc/52/03/29/515520329.db2.gz NIDHVKIEKDRQHB-QGZVFWFLSA-N 1 3 358.511 2.805 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)N1CCc2ccccc2C1 ZINC000510497865 515558601 /nfs/dbraw/zinc/55/86/01/515558601.db2.gz AJEPRTSTPKLAHG-UTKZUKDTSA-N 1 3 370.541 2.773 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)N1CCc2ccccc2C1 ZINC000510497865 515558610 /nfs/dbraw/zinc/55/86/10/515558610.db2.gz AJEPRTSTPKLAHG-UTKZUKDTSA-N 1 3 370.541 2.773 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000468902210 515573928 /nfs/dbraw/zinc/57/39/28/515573928.db2.gz JBDJBNXINFGJBI-QUCCMNQESA-N 1 3 373.541 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000468902210 515573940 /nfs/dbraw/zinc/57/39/40/515573940.db2.gz JBDJBNXINFGJBI-QUCCMNQESA-N 1 3 373.541 2.600 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C[NH+]1CCCC1 ZINC000454615348 515611392 /nfs/dbraw/zinc/61/13/92/515611392.db2.gz JCKCFGCKEANBTA-UXHICEINSA-N 1 3 372.557 2.882 20 0 FFADHO Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2=O)cc1 ZINC000459515544 515611630 /nfs/dbraw/zinc/61/16/30/515611630.db2.gz HOBMGKXYQLSWCM-OAQYLSRUSA-N 1 3 364.493 2.750 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000454626572 515619365 /nfs/dbraw/zinc/61/93/65/515619365.db2.gz VJPOEWDDVJWSNO-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO Cn1c2ccc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)cc2oc1=O ZINC000510674090 515631186 /nfs/dbraw/zinc/63/11/86/515631186.db2.gz HCGCFTWHQFNRQE-LJQANCHMSA-N 1 3 365.477 2.786 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000469030744 515635915 /nfs/dbraw/zinc/63/59/15/515635915.db2.gz SSWDEBIFBXIINQ-NSHGMRRFSA-N 1 3 358.530 2.767 20 0 FFADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000493767223 515662306 /nfs/dbraw/zinc/66/23/06/515662306.db2.gz MJFMVLDTZVFXPI-KNQAVFIVSA-N 1 3 368.525 2.960 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000505825236 515685269 /nfs/dbraw/zinc/68/52/69/515685269.db2.gz OIMYBXSDJSYBMF-PXNSSMCTSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000505825236 515685278 /nfs/dbraw/zinc/68/52/78/515685278.db2.gz OIMYBXSDJSYBMF-PXNSSMCTSA-N 1 3 363.521 2.879 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Br)cs1 ZINC000493974418 515702621 /nfs/dbraw/zinc/70/26/21/515702621.db2.gz BFSPJWTYZRPMIM-NWDGAFQWSA-N 1 3 374.348 2.749 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482568175 515722936 /nfs/dbraw/zinc/72/29/36/515722936.db2.gz WEKMTUNMBDUYFP-DZGCQCFKSA-N 1 3 357.420 2.943 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506026552 515753066 /nfs/dbraw/zinc/75/30/66/515753066.db2.gz MCTONABCESORGP-KRWDZBQOSA-N 1 3 367.484 2.848 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000500602457 515787616 /nfs/dbraw/zinc/78/76/16/515787616.db2.gz ADHZPMDNMXACCF-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000500602457 515787623 /nfs/dbraw/zinc/78/76/23/515787623.db2.gz ADHZPMDNMXACCF-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO CC[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000473893124 515791381 /nfs/dbraw/zinc/79/13/81/515791381.db2.gz DRKKZZSQHLXJLY-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000473893124 515791390 /nfs/dbraw/zinc/79/13/90/515791390.db2.gz DRKKZZSQHLXJLY-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000459796396 515809235 /nfs/dbraw/zinc/80/92/35/515809235.db2.gz YOWPFPHGUQWMSY-FRTACKCFSA-N 1 3 355.526 2.934 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1Cl ZINC000487357172 515837486 /nfs/dbraw/zinc/83/74/86/515837486.db2.gz SWQIINIRCQQNHJ-QGZVFWFLSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1Cl ZINC000487357172 515837494 /nfs/dbraw/zinc/83/74/94/515837494.db2.gz SWQIINIRCQQNHJ-QGZVFWFLSA-N 1 3 369.912 2.896 20 0 FFADHO CSC1(CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CCN(C)CC1 ZINC000454968475 515864900 /nfs/dbraw/zinc/86/49/00/515864900.db2.gz HSNUSAAUCRDWHT-KRWDZBQOSA-N 1 3 370.607 2.624 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000469577334 515876910 /nfs/dbraw/zinc/87/69/10/515876910.db2.gz XRYMAUMDCJLURP-FQEVSTJZSA-N 1 3 372.557 2.775 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000469577334 515876923 /nfs/dbraw/zinc/87/69/23/515876923.db2.gz XRYMAUMDCJLURP-FQEVSTJZSA-N 1 3 372.557 2.775 20 0 FFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000487535755 515894822 /nfs/dbraw/zinc/89/48/22/515894822.db2.gz JCINWDBRGMABEU-UYWIDEMCSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000487535755 515894830 /nfs/dbraw/zinc/89/48/30/515894830.db2.gz JCINWDBRGMABEU-UYWIDEMCSA-N 1 3 370.541 2.633 20 0 FFADHO C[NH+](C)CCOCCNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000487570113 515907637 /nfs/dbraw/zinc/90/76/37/515907637.db2.gz GHPCVEKNDWPVGE-UHFFFAOYSA-N 1 3 356.392 2.763 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](CC)[C@@H](C)C3)cc2)CC1 ZINC000469685542 515918972 /nfs/dbraw/zinc/91/89/72/515918972.db2.gz XBGDBNYLUGJFLB-GHTZIAJQSA-N 1 3 372.557 2.773 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)[C@@H](C)C3)cc2)CC1 ZINC000469685542 515918983 /nfs/dbraw/zinc/91/89/83/515918983.db2.gz XBGDBNYLUGJFLB-GHTZIAJQSA-N 1 3 372.557 2.773 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N(CC)CC ZINC000474291478 515975761 /nfs/dbraw/zinc/97/57/61/515975761.db2.gz KSNOUDRHHVFQOA-FHLIZLRMSA-N 1 3 353.457 2.647 20 0 FFADHO CC[NH+](CC)CC1CCN(Cc2c(C)nn(CCC(=O)OC)c2C)CC1 ZINC000506861774 516007988 /nfs/dbraw/zinc/00/79/88/516007988.db2.gz NOFDWXQOGUPUJZ-UHFFFAOYSA-N 1 3 364.534 2.617 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000479045834 516038015 /nfs/dbraw/zinc/03/80/15/516038015.db2.gz QUWOEJTZMKCOSF-UHFFFAOYSA-N 1 3 362.518 2.871 20 0 FFADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000455209613 516041184 /nfs/dbraw/zinc/04/11/84/516041184.db2.gz NDMPBMRHCXTIKK-UHFFFAOYSA-N 1 3 356.514 2.556 20 0 FFADHO CC(C)(CNC(=O)N1CCN(C2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000479063493 516041826 /nfs/dbraw/zinc/04/18/26/516041826.db2.gz FRPVIGFMIKGEAP-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2ccccc2C1 ZINC000501357859 516073264 /nfs/dbraw/zinc/07/32/64/516073264.db2.gz JPJKWCYFTATZDH-NJYVYQBISA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCc2ccccc2C1 ZINC000501357859 516073271 /nfs/dbraw/zinc/07/32/71/516073271.db2.gz JPJKWCYFTATZDH-NJYVYQBISA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000479197491 516102497 /nfs/dbraw/zinc/10/24/97/516102497.db2.gz VCTQQXJNWWEHMT-NHCUHLMSSA-N 1 3 369.484 2.821 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC000457734123 516107225 /nfs/dbraw/zinc/10/72/25/516107225.db2.gz FSDBMFGAGZNMEC-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000457733007 516107359 /nfs/dbraw/zinc/10/73/59/516107359.db2.gz DZJVKCKMPSTVSE-HXUWFJFHSA-N 1 3 350.551 2.626 20 0 FFADHO CCc1cc(OC)ccc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000501444297 516107512 /nfs/dbraw/zinc/10/75/12/516107512.db2.gz AXENGGOZEURMAG-UHFFFAOYSA-N 1 3 369.509 2.839 20 0 FFADHO C[C@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000479209566 516110715 /nfs/dbraw/zinc/11/07/15/516110715.db2.gz UYIDPIJOTISFIY-UWJYYQICSA-N 1 3 369.484 2.991 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000479222810 516114783 /nfs/dbraw/zinc/11/47/83/516114783.db2.gz XLDZXIFCAFEHOF-UIAACRFSSA-N 1 3 355.457 2.647 20 0 FFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](C)C1 ZINC000488100725 516115485 /nfs/dbraw/zinc/11/54/85/516115485.db2.gz ZCOKKKFXPCENLI-MMKMLUHNSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](C)C1 ZINC000488100725 516115493 /nfs/dbraw/zinc/11/54/93/516115493.db2.gz ZCOKKKFXPCENLI-MMKMLUHNSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCC[C@@H]1C ZINC000501492408 516121310 /nfs/dbraw/zinc/12/13/10/516121310.db2.gz UQXOWVYHOGFSSD-ZWKOTPCHSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479303063 516143007 /nfs/dbraw/zinc/14/30/07/516143007.db2.gz AKDAWTZZOBIEFF-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479303063 516143015 /nfs/dbraw/zinc/14/30/15/516143015.db2.gz AKDAWTZZOBIEFF-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501554905 516152272 /nfs/dbraw/zinc/15/22/72/516152272.db2.gz UJDUOAMUGRTHDR-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501554905 516152281 /nfs/dbraw/zinc/15/22/81/516152281.db2.gz UJDUOAMUGRTHDR-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000460532667 516182097 /nfs/dbraw/zinc/18/20/97/516182097.db2.gz DNVDTRIOCHZOQJ-KRWDZBQOSA-N 1 3 360.546 2.505 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000460532667 516182106 /nfs/dbraw/zinc/18/21/06/516182106.db2.gz DNVDTRIOCHZOQJ-KRWDZBQOSA-N 1 3 360.546 2.505 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000470294452 516197579 /nfs/dbraw/zinc/19/75/79/516197579.db2.gz BYQZSMMQFUDLHM-PMACEKPBSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)C1 ZINC000488361508 516205057 /nfs/dbraw/zinc/20/50/57/516205057.db2.gz BIGNGMRUQHCUMN-XYJFISCASA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000457944993 516245479 /nfs/dbraw/zinc/24/54/79/516245479.db2.gz ZGYGQHNUSDVYKM-CBQOVEMMSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000457944993 516245488 /nfs/dbraw/zinc/24/54/88/516245488.db2.gz ZGYGQHNUSDVYKM-CBQOVEMMSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000457944995 516246030 /nfs/dbraw/zinc/24/60/30/516246030.db2.gz ZGYGQHNUSDVYKM-SYYKKAFVSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000457944995 516246039 /nfs/dbraw/zinc/24/60/39/516246039.db2.gz ZGYGQHNUSDVYKM-SYYKKAFVSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000465767199 516250868 /nfs/dbraw/zinc/25/08/68/516250868.db2.gz YXJZKJORHDCDLG-AFYVEPGGSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000465767199 516250874 /nfs/dbraw/zinc/25/08/74/516250874.db2.gz YXJZKJORHDCDLG-AFYVEPGGSA-N 1 3 356.514 2.700 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000465826818 516267691 /nfs/dbraw/zinc/26/76/91/516267691.db2.gz RHORWFJMLFPKKV-PMACEKPBSA-N 1 3 358.530 2.915 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000465826818 516267697 /nfs/dbraw/zinc/26/76/97/516267697.db2.gz RHORWFJMLFPKKV-PMACEKPBSA-N 1 3 358.530 2.915 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1C ZINC000465869191 516275670 /nfs/dbraw/zinc/27/56/70/516275670.db2.gz FHGIUQIQLXPUBH-VWWARQNISA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C ZINC000465869191 516275673 /nfs/dbraw/zinc/27/56/73/516275673.db2.gz FHGIUQIQLXPUBH-VWWARQNISA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000484076960 516292044 /nfs/dbraw/zinc/29/20/44/516292044.db2.gz MDSFRQDOBFYUSV-DNVCBOLYSA-N 1 3 369.912 2.816 20 0 FFADHO C[C@@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000484076960 516292047 /nfs/dbraw/zinc/29/20/47/516292047.db2.gz MDSFRQDOBFYUSV-DNVCBOLYSA-N 1 3 369.912 2.816 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000502091871 516302384 /nfs/dbraw/zinc/30/23/84/516302384.db2.gz MBPKURYDBMTJHY-PXNSSMCTSA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@@H]1C[C@@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CCO1 ZINC000507817261 516306665 /nfs/dbraw/zinc/30/66/65/516306665.db2.gz XMWCAVZXTJVUKZ-FCHUYYIVSA-N 1 3 359.558 2.941 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@@H]2C1 ZINC000497388550 516318300 /nfs/dbraw/zinc/31/83/00/516318300.db2.gz JVMAKDISJRGHQB-UYAOXDASSA-N 1 3 370.541 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@@H]2C1 ZINC000497388550 516318303 /nfs/dbraw/zinc/31/83/03/516318303.db2.gz JVMAKDISJRGHQB-UYAOXDASSA-N 1 3 370.541 2.559 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000517534432 516353624 /nfs/dbraw/zinc/35/36/24/516353624.db2.gz UBXRTJCXRMGHFF-TZIWHRDSSA-N 1 3 368.481 2.987 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715428 516385601 /nfs/dbraw/zinc/38/56/01/516385601.db2.gz KTURFWLJZDEMMH-UHFFFAOYSA-N 1 3 358.461 2.637 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000517627748 516390235 /nfs/dbraw/zinc/39/02/35/516390235.db2.gz WSTCYEGNVVUSMP-FXAWDEMLSA-N 1 3 360.546 2.531 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1scnc1C1CC1 ZINC000535566387 516401757 /nfs/dbraw/zinc/40/17/57/516401757.db2.gz MSJCMHFSXOEXJP-HNNXBMFYSA-N 1 3 350.532 2.509 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000561151808 516410412 /nfs/dbraw/zinc/41/04/12/516410412.db2.gz WXCOVMJVGPMQHV-RLLQIKCJSA-N 1 3 358.530 2.819 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C[C@@H](C)O1 ZINC000517753592 516439032 /nfs/dbraw/zinc/43/90/32/516439032.db2.gz MHBDLZDEBCJOCY-QZTJIDSGSA-N 1 3 373.541 2.539 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000523337913 516440841 /nfs/dbraw/zinc/44/08/41/516440841.db2.gz AMJMFLVHBDUDJP-QWFCFKBJSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000523337913 516440846 /nfs/dbraw/zinc/44/08/46/516440846.db2.gz AMJMFLVHBDUDJP-QWFCFKBJSA-N 1 3 358.530 2.530 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000561198888 516446410 /nfs/dbraw/zinc/44/64/10/516446410.db2.gz ZQNKZWAAKIBRAV-UGKGYDQZSA-N 1 3 372.557 2.976 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523352654 516447286 /nfs/dbraw/zinc/44/72/86/516447286.db2.gz AYTHPTGLSXSUIL-UYAOXDASSA-N 1 3 372.557 2.920 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523352654 516447294 /nfs/dbraw/zinc/44/72/94/516447294.db2.gz AYTHPTGLSXSUIL-UYAOXDASSA-N 1 3 372.557 2.920 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCC(C)CC2)CC1)C[NH+]1CCCC1 ZINC000523790567 516581551 /nfs/dbraw/zinc/58/15/51/516581551.db2.gz PZWTUESWACSERN-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)[C@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000536016023 516593851 /nfs/dbraw/zinc/59/38/51/516593851.db2.gz AMPHLMXZMVUGQT-PMACEKPBSA-N 1 3 360.546 2.579 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+](CC)C1CC1)N1CCc2ccccc2C1 ZINC000523885804 516602423 /nfs/dbraw/zinc/60/24/23/516602423.db2.gz OAQKHPXMIQYSIU-IBGZPJMESA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+](CC)C1CC1)N1CCc2ccccc2C1 ZINC000523885804 516602427 /nfs/dbraw/zinc/60/24/27/516602427.db2.gz OAQKHPXMIQYSIU-IBGZPJMESA-N 1 3 358.530 2.607 20 0 FFADHO O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000518514654 516688636 /nfs/dbraw/zinc/68/86/36/516688636.db2.gz FZVXFCSTFAMJJF-MISYRCLQSA-N 1 3 371.525 2.897 20 0 FFADHO C/C=C\c1ccc(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)c(OC)c1 ZINC000524370785 516704422 /nfs/dbraw/zinc/70/44/22/516704422.db2.gz AWMRQEWLEGHJLQ-VOFKWLDRSA-N 1 3 362.514 2.742 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[NH+]1CCCCC1 ZINC000544332610 516704946 /nfs/dbraw/zinc/70/49/46/516704946.db2.gz SLYUJJDCPDTHEA-QUCCMNQESA-N 1 3 360.546 2.723 20 0 FFADHO COCCN1CC[C@@H](Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000544351540 516719006 /nfs/dbraw/zinc/71/90/06/516719006.db2.gz VGFRKXVHESDCNY-HXUWFJFHSA-N 1 3 374.529 2.634 20 0 FFADHO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000555006607 516740901 /nfs/dbraw/zinc/74/09/01/516740901.db2.gz IOIUWYWVSDCIPW-QGZVFWFLSA-N 1 3 361.530 2.581 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2c1cccc2C ZINC000524631757 516773783 /nfs/dbraw/zinc/77/37/83/516773783.db2.gz WSBKMSSVSWHADF-IBGZPJMESA-N 1 3 370.541 2.893 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2c1cccc2C ZINC000524631757 516773794 /nfs/dbraw/zinc/77/37/94/516773794.db2.gz WSBKMSSVSWHADF-IBGZPJMESA-N 1 3 370.541 2.893 20 0 FFADHO C[C@H](CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000518921332 516820723 /nfs/dbraw/zinc/82/07/23/516820723.db2.gz SLSKGKSHXGJGDS-QZTJIDSGSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@H](CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000518921332 516820733 /nfs/dbraw/zinc/82/07/33/516820733.db2.gz SLSKGKSHXGJGDS-QZTJIDSGSA-N 1 3 357.542 2.929 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CCC[N@@H+](C(C)C)C3)c2cc1C ZINC000518964003 516833386 /nfs/dbraw/zinc/83/33/86/516833386.db2.gz WGOTZCCYPYQLIM-RTBURBONSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CCC[N@H+](C(C)C)C3)c2cc1C ZINC000518964003 516833392 /nfs/dbraw/zinc/83/33/92/516833392.db2.gz WGOTZCCYPYQLIM-RTBURBONSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@H]3CCCN(C(C)C)C3)c2cc1C ZINC000518964003 516833400 /nfs/dbraw/zinc/83/34/00/516833400.db2.gz WGOTZCCYPYQLIM-RTBURBONSA-N 1 3 358.530 2.724 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000514022744 516835442 /nfs/dbraw/zinc/83/54/42/516835442.db2.gz PVTXIZPWEQFRQH-QUCCMNQESA-N 1 3 358.530 2.997 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000532315364 516906389 /nfs/dbraw/zinc/90/63/89/516906389.db2.gz FMRGWWRUKBFXQC-SXLOBPIMSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000532315364 516906399 /nfs/dbraw/zinc/90/63/99/516906399.db2.gz FMRGWWRUKBFXQC-SXLOBPIMSA-N 1 3 358.530 2.679 20 0 FFADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000541174309 516912395 /nfs/dbraw/zinc/91/23/95/516912395.db2.gz HGKMPEQXPYEWJV-GOSISDBHSA-N 1 3 374.573 2.607 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000562161870 516937654 /nfs/dbraw/zinc/93/76/54/516937654.db2.gz FVFAONCJPCOXQE-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000562161870 516937660 /nfs/dbraw/zinc/93/76/60/516937660.db2.gz FVFAONCJPCOXQE-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000555558349 516977984 /nfs/dbraw/zinc/97/79/84/516977984.db2.gz OYWURCOKEZONKF-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558908695 516998670 /nfs/dbraw/zinc/99/86/70/516998670.db2.gz UBVJBMWOSQEDQX-BVGQSLNGSA-N 1 3 364.921 2.725 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558908695 516998674 /nfs/dbraw/zinc/99/86/74/516998674.db2.gz UBVJBMWOSQEDQX-BVGQSLNGSA-N 1 3 364.921 2.725 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1cccs1 ZINC000529312487 517070984 /nfs/dbraw/zinc/07/09/84/517070984.db2.gz CGPXORTWWRKWJD-PVAVHDDUSA-N 1 3 362.543 2.715 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000532836515 517161609 /nfs/dbraw/zinc/16/16/09/517161609.db2.gz BTKFKTSTFUKVMU-RTBURBONSA-N 1 3 358.530 2.823 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000532836515 517161617 /nfs/dbraw/zinc/16/16/17/517161617.db2.gz BTKFKTSTFUKVMU-RTBURBONSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000515058158 517193912 /nfs/dbraw/zinc/19/39/12/517193912.db2.gz KWTGPJTZHIXVKT-UWJYYQICSA-N 1 3 366.509 2.998 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000555940804 517195186 /nfs/dbraw/zinc/19/51/86/517195186.db2.gz NJXCBRBNLFPUTB-UHFFFAOYSA-N 1 3 367.563 2.759 20 0 FFADHO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1N1CCN(C)CC1 ZINC000537622058 517265527 /nfs/dbraw/zinc/26/55/27/517265527.db2.gz NNNYBAQNMJRTAW-DOTOQJQBSA-N 1 3 359.543 2.596 20 0 FFADHO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1N1CCN(C)CC1 ZINC000537622058 517265533 /nfs/dbraw/zinc/26/55/33/517265533.db2.gz NNNYBAQNMJRTAW-DOTOQJQBSA-N 1 3 359.543 2.596 20 0 FFADHO CN1CC[C@H](CNC[C@@H](O)C[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515235241 517266125 /nfs/dbraw/zinc/26/61/25/517266125.db2.gz XMIIECHJISJISL-IDHHARJASA-N 1 3 369.912 2.517 20 0 FFADHO CN1CC[C@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515235241 517266135 /nfs/dbraw/zinc/26/61/35/517266135.db2.gz XMIIECHJISJISL-IDHHARJASA-N 1 3 369.912 2.517 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000552518214 517292342 /nfs/dbraw/zinc/29/23/42/517292342.db2.gz WOZANAZFHCPELX-WOJBJXKFSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000552518214 517292349 /nfs/dbraw/zinc/29/23/49/517292349.db2.gz WOZANAZFHCPELX-WOJBJXKFSA-N 1 3 357.498 2.599 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000520201438 517298104 /nfs/dbraw/zinc/29/81/04/517298104.db2.gz OJQOYGKONKYHDT-FGTMMUONSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000520201438 517298110 /nfs/dbraw/zinc/29/81/10/517298110.db2.gz OJQOYGKONKYHDT-FGTMMUONSA-N 1 3 352.567 2.869 20 0 FFADHO c1ccc(CN2CC[C@H]([NH+]3CCC(CCN4CCOCC4)CC3)C2)cc1 ZINC000552560166 517306543 /nfs/dbraw/zinc/30/65/43/517306543.db2.gz KXNUKMWLDQRCJG-QFIPXVFZSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](N3CCC(CCN4CCOCC4)CC3)C2)cc1 ZINC000552560166 517306552 /nfs/dbraw/zinc/30/65/52/517306552.db2.gz KXNUKMWLDQRCJG-QFIPXVFZSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](N3CCC(CCN4CCOCC4)CC3)C2)cc1 ZINC000552560166 517306565 /nfs/dbraw/zinc/30/65/65/517306565.db2.gz KXNUKMWLDQRCJG-QFIPXVFZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000533163078 517320890 /nfs/dbraw/zinc/32/08/90/517320890.db2.gz WTUUBFWSHIBZNZ-APWZRJJASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000533163078 517320899 /nfs/dbraw/zinc/32/08/99/517320899.db2.gz WTUUBFWSHIBZNZ-APWZRJJASA-N 1 3 358.530 2.679 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000548972252 517335137 /nfs/dbraw/zinc/33/51/37/517335137.db2.gz LLMRQRKDXNGUDX-QAPCUYQASA-N 1 3 366.937 2.974 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000548972252 517335147 /nfs/dbraw/zinc/33/51/47/517335147.db2.gz LLMRQRKDXNGUDX-QAPCUYQASA-N 1 3 366.937 2.974 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000542025817 517344461 /nfs/dbraw/zinc/34/44/61/517344461.db2.gz KRADJTCGEKVSQQ-IBGZPJMESA-N 1 3 373.545 2.840 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000542025817 517344467 /nfs/dbraw/zinc/34/44/67/517344467.db2.gz KRADJTCGEKVSQQ-IBGZPJMESA-N 1 3 373.545 2.840 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc2c1CCNC2 ZINC000562768272 517381787 /nfs/dbraw/zinc/38/17/87/517381787.db2.gz ZTQZNDFRNBNWOT-SFHVURJKSA-N 1 3 364.493 2.976 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc2c1CCNC2 ZINC000562768272 517381795 /nfs/dbraw/zinc/38/17/95/517381795.db2.gz ZTQZNDFRNBNWOT-SFHVURJKSA-N 1 3 364.493 2.976 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])N(C)C)cc1 ZINC000520404271 517382486 /nfs/dbraw/zinc/38/24/86/517382486.db2.gz YTWQTRKZYKZCAS-NHCUHLMSSA-N 1 3 366.509 2.865 20 0 FFADHO C[N@@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000559743869 517405756 /nfs/dbraw/zinc/40/57/56/517405756.db2.gz TZYIQLNWDZTBIY-VQTJNVASSA-N 1 3 373.522 2.983 20 0 FFADHO C[N@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000559743869 517405765 /nfs/dbraw/zinc/40/57/65/517405765.db2.gz TZYIQLNWDZTBIY-VQTJNVASSA-N 1 3 373.522 2.983 20 0 FFADHO O[C@@H](C[NH2+][C@H]1CCCc2c(Br)cccc21)CN1CCCC1 ZINC000542151959 517409313 /nfs/dbraw/zinc/40/93/13/517409313.db2.gz ZBYSTQDIILHGJJ-GUYCJALGSA-N 1 3 353.304 2.873 20 0 FFADHO COC(C)(C)CN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000533344840 517416205 /nfs/dbraw/zinc/41/62/05/517416205.db2.gz SOTYUECDPVCYJV-KRWDZBQOSA-N 1 3 361.530 2.513 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000559766786 517419621 /nfs/dbraw/zinc/41/96/21/517419621.db2.gz KXZNVQKUQXMIIW-NNWRFLSQSA-N 1 3 359.558 2.722 20 0 FFADHO CC1CC[NH+](C[C@H](O)CN[C@H]2CCCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000559766786 517419633 /nfs/dbraw/zinc/41/96/33/517419633.db2.gz KXZNVQKUQXMIIW-NNWRFLSQSA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000545901084 517423217 /nfs/dbraw/zinc/42/32/17/517423217.db2.gz SDGSLCVRMVFJRX-RLLQIKCJSA-N 1 3 358.530 2.536 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000545901084 517423226 /nfs/dbraw/zinc/42/32/26/517423226.db2.gz SDGSLCVRMVFJRX-RLLQIKCJSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000537980670 517424599 /nfs/dbraw/zinc/42/45/99/517424599.db2.gz ICPCOIQCOJBRTH-WDYCEAGBSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537980670 517424606 /nfs/dbraw/zinc/42/46/06/517424606.db2.gz ICPCOIQCOJBRTH-WDYCEAGBSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000562811215 517425835 /nfs/dbraw/zinc/42/58/35/517425835.db2.gz VOLIRGNXYCYXTG-UTKZUKDTSA-N 1 3 358.530 2.901 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000562815163 517427176 /nfs/dbraw/zinc/42/71/76/517427176.db2.gz JVSBAEJDFGFBOX-PWRODBHTSA-N 1 3 366.509 2.965 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000562815163 517427184 /nfs/dbraw/zinc/42/71/84/517427184.db2.gz JVSBAEJDFGFBOX-PWRODBHTSA-N 1 3 366.509 2.965 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000515621048 517427468 /nfs/dbraw/zinc/42/74/68/517427468.db2.gz VYRZJOYBARPGNL-AQNXPRMDSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000515621048 517427476 /nfs/dbraw/zinc/42/74/76/517427476.db2.gz VYRZJOYBARPGNL-AQNXPRMDSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000515620935 517427645 /nfs/dbraw/zinc/42/76/45/517427645.db2.gz OUBMXSKQGBCBEZ-UHFFFAOYSA-N 1 3 354.926 2.801 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)N(C)C)cc1 ZINC000520581180 517444864 /nfs/dbraw/zinc/44/48/64/517444864.db2.gz JVLZGWBZWDUFHJ-WOJBJXKFSA-N 1 3 358.530 2.868 20 0 FFADHO NC[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2ccccc2c1 ZINC000515809136 517482783 /nfs/dbraw/zinc/48/27/83/517482783.db2.gz HYJAZHMKBBHXTR-SLFFLAALSA-N 1 3 352.482 2.766 20 0 FFADHO NC[C@H](NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2ccccc2c1 ZINC000515809136 517482794 /nfs/dbraw/zinc/48/27/94/517482794.db2.gz HYJAZHMKBBHXTR-SLFFLAALSA-N 1 3 352.482 2.766 20 0 FFADHO CN(CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000553038343 517493382 /nfs/dbraw/zinc/49/33/82/517493382.db2.gz ZBBSFACRQDPINX-OAQYLSRUSA-N 1 3 351.494 2.757 20 0 FFADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000553038343 517493386 /nfs/dbraw/zinc/49/33/86/517493386.db2.gz ZBBSFACRQDPINX-OAQYLSRUSA-N 1 3 351.494 2.757 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000520819072 517523386 /nfs/dbraw/zinc/52/33/86/517523386.db2.gz OHPNJKZSWWSTFS-NHCUHLMSSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000520819072 517523392 /nfs/dbraw/zinc/52/33/92/517523392.db2.gz OHPNJKZSWWSTFS-NHCUHLMSSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000520935234 517555884 /nfs/dbraw/zinc/55/58/84/517555884.db2.gz ZMIYCKSVFXLFTI-SFHVURJKSA-N 1 3 350.551 2.626 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000520935234 517555893 /nfs/dbraw/zinc/55/58/93/517555893.db2.gz ZMIYCKSVFXLFTI-SFHVURJKSA-N 1 3 350.551 2.626 20 0 FFADHO CCOCc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000530247933 517653128 /nfs/dbraw/zinc/65/31/28/517653128.db2.gz DQUIUDKWOIYXGR-FQEVSTJZSA-N 1 3 362.514 2.822 20 0 FFADHO Fc1ccc(Cn2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530249328 517655757 /nfs/dbraw/zinc/65/57/57/517655757.db2.gz VOMVTGCLRFBYRM-NRFANRHFSA-N 1 3 372.488 2.661 20 0 FFADHO Cc1cccc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530249291 517657072 /nfs/dbraw/zinc/65/70/72/517657072.db2.gz USELZSZAGGKEIZ-HXUWFJFHSA-N 1 3 354.498 2.976 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533986166 517695704 /nfs/dbraw/zinc/69/57/04/517695704.db2.gz LUXIQHZXGURSIO-AABGKKOBSA-N 1 3 358.530 2.851 20 0 FFADHO CNC(=O)[C@H](C[NH2+]C1CCN(CC2CC2)CC1)Cc1ccc(F)cc1C ZINC000516467548 517700886 /nfs/dbraw/zinc/70/08/86/517700886.db2.gz OOQSKGXAXJWRKO-SFHVURJKSA-N 1 3 361.505 2.503 20 0 FFADHO CN1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000556868751 517718047 /nfs/dbraw/zinc/71/80/47/517718047.db2.gz BVZWDXYZONDASF-BHIFYINESA-N 1 3 369.553 2.930 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000534064328 517727449 /nfs/dbraw/zinc/72/74/49/517727449.db2.gz BBASHRMRNKQWBK-BHDDXSALSA-N 1 3 369.553 2.871 20 0 FFADHO Cc1cccc(NC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)c1 ZINC000563215754 517746774 /nfs/dbraw/zinc/74/67/74/517746774.db2.gz RVHQPRADFKEVOF-VXKWHMMOSA-N 1 3 353.510 2.802 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1C1CC1 ZINC000521474406 517746732 /nfs/dbraw/zinc/74/67/32/517746732.db2.gz XNLBXOJXOKFSIP-CTHBEMJXSA-N 1 3 361.452 2.637 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1C1CC1 ZINC000521474406 517746745 /nfs/dbraw/zinc/74/67/45/517746745.db2.gz XNLBXOJXOKFSIP-CTHBEMJXSA-N 1 3 361.452 2.637 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000538723047 517749816 /nfs/dbraw/zinc/74/98/16/517749816.db2.gz HXZDLVLVFZNOJM-NQIIRXRSSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000538723047 517749826 /nfs/dbraw/zinc/74/98/26/517749826.db2.gz HXZDLVLVFZNOJM-NQIIRXRSSA-N 1 3 357.542 2.933 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1c(F)cccc1F ZINC000521609696 517795533 /nfs/dbraw/zinc/79/55/33/517795533.db2.gz CWEQPJWKBLTEIS-RRQGHBQHSA-N 1 3 351.441 2.595 20 0 FFADHO CC1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC[NH2+]CC1 ZINC000563521108 517958078 /nfs/dbraw/zinc/95/80/78/517958078.db2.gz GGKTYPRPTZCYSR-OAHLLOKOSA-N 1 3 350.532 2.574 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944498 517984476 /nfs/dbraw/zinc/98/44/76/517984476.db2.gz NEOWREGLXNPOFN-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2OCc2ccncc2)CC1 ZINC000539514981 518084504 /nfs/dbraw/zinc/08/45/04/518084504.db2.gz KUJOTZMWGMCMED-UHFFFAOYSA-N 1 3 369.509 2.986 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000557583723 518090090 /nfs/dbraw/zinc/09/00/90/518090090.db2.gz VLXXTNNOFXIKAO-UHFFFAOYSA-N 1 3 372.557 2.777 20 0 FFADHO C[C@@H](O)[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000535007549 518118469 /nfs/dbraw/zinc/11/84/69/518118469.db2.gz KXGMLMFYOBTNTQ-IYWMVGAKSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000535007549 518118470 /nfs/dbraw/zinc/11/84/70/518118470.db2.gz KXGMLMFYOBTNTQ-IYWMVGAKSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000535007549 518118475 /nfs/dbraw/zinc/11/84/75/518118475.db2.gz KXGMLMFYOBTNTQ-IYWMVGAKSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000535007549 518118481 /nfs/dbraw/zinc/11/84/81/518118481.db2.gz KXGMLMFYOBTNTQ-IYWMVGAKSA-N 1 3 360.542 2.872 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3CCN3C3CCCCC3)C2)CC1 ZINC000528150838 518122121 /nfs/dbraw/zinc/12/21/21/518122121.db2.gz UEEUEUOKSJCSKZ-ICSRJNTNSA-N 1 3 362.562 2.767 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(OC2CCCCC2)c1 ZINC000531119040 518143970 /nfs/dbraw/zinc/14/39/70/518143970.db2.gz ZCVWCUXOUWEJIH-UHFFFAOYSA-N 1 3 361.530 2.964 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535364508 518176708 /nfs/dbraw/zinc/17/67/08/518176708.db2.gz XMTRRPOJJWXAEW-PIKOESSRSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535364508 518176709 /nfs/dbraw/zinc/17/67/09/518176709.db2.gz XMTRRPOJJWXAEW-PIKOESSRSA-N 1 3 358.530 2.994 20 0 FFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000563889854 518216301 /nfs/dbraw/zinc/21/63/01/518216301.db2.gz XTOQVBUXDDVCSB-CTNGQTDRSA-N 1 3 355.526 2.785 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000572511684 518226861 /nfs/dbraw/zinc/22/68/61/518226861.db2.gz MEYUITGMQBACRN-OAGGEKHMSA-N 1 3 360.420 2.908 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000566866255 518239612 /nfs/dbraw/zinc/23/96/12/518239612.db2.gz PFDCIMDPEVEKMD-RBUKOAKNSA-N 1 3 359.514 2.716 20 0 FFADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000578504923 518243606 /nfs/dbraw/zinc/24/36/06/518243606.db2.gz ZSFFEKAQPCMRBO-ZIAGYGMSSA-N 1 3 374.451 2.904 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566916066 518264616 /nfs/dbraw/zinc/26/46/16/518264616.db2.gz ZDFBCOPNJCTUBL-LMMKCTJWSA-N 1 3 368.525 2.537 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000575779484 518278161 /nfs/dbraw/zinc/27/81/61/518278161.db2.gz IWIAMCQZHGOPLD-DFQSSKMNSA-N 1 3 358.530 2.838 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2)CNCCO3)CC[N@@H+](C2CCC2)C1 ZINC000572614243 518278275 /nfs/dbraw/zinc/27/82/75/518278275.db2.gz DKUAOSGMZLNXKZ-OAHLLOKOSA-N 1 3 358.486 2.507 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2)CNCCO3)CC[N@H+](C2CCC2)C1 ZINC000572614243 518278283 /nfs/dbraw/zinc/27/82/83/518278283.db2.gz DKUAOSGMZLNXKZ-OAHLLOKOSA-N 1 3 358.486 2.507 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000569802295 518299435 /nfs/dbraw/zinc/29/94/35/518299435.db2.gz NMGSEJGZAJAPAP-XHVZSJERSA-N 1 3 366.815 2.508 20 0 FFADHO O=C1NCCN1[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000569809474 518305447 /nfs/dbraw/zinc/30/54/47/518305447.db2.gz RAQJPLJTYZTTRD-FQEVSTJZSA-N 1 3 356.514 2.662 20 0 FFADHO C[C@H]1CN(CCCc2cncn2C)C(C)(C)C[N@@H+]1CCCc1cncn1C ZINC000581497291 518317105 /nfs/dbraw/zinc/31/71/05/518317105.db2.gz QJWQQLHNEADOKB-SFHVURJKSA-N 1 3 372.561 2.504 20 0 FFADHO C[C@H]1CN(CCCc2cncn2C)C(C)(C)C[N@H+]1CCCc1cncn1C ZINC000581497291 518317111 /nfs/dbraw/zinc/31/71/11/518317111.db2.gz QJWQQLHNEADOKB-SFHVURJKSA-N 1 3 372.561 2.504 20 0 FFADHO C[C@H]1C[N@H+](CCCc2cncn2C)C(C)(C)CN1CCCc1cncn1C ZINC000581497291 518317115 /nfs/dbraw/zinc/31/71/15/518317115.db2.gz QJWQQLHNEADOKB-SFHVURJKSA-N 1 3 372.561 2.504 20 0 FFADHO C[C@H]1C[N@@H+](CCCc2cncn2C)C(C)(C)CN1CCCc1cncn1C ZINC000581497291 518317122 /nfs/dbraw/zinc/31/71/22/518317122.db2.gz QJWQQLHNEADOKB-SFHVURJKSA-N 1 3 372.561 2.504 20 0 FFADHO Clc1cccnc1OCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000584404849 518326546 /nfs/dbraw/zinc/32/65/46/518326546.db2.gz KBCVDXRIOSAVOT-APWZRJJASA-N 1 3 359.857 2.959 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000572719629 518329935 /nfs/dbraw/zinc/32/99/35/518329935.db2.gz JAGLEBDKZIUIBC-MRXNPFEDSA-N 1 3 373.419 2.896 20 0 FFADHO C[C@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000576055602 518406912 /nfs/dbraw/zinc/40/69/12/518406912.db2.gz RVYQAPKLRSKPQO-PXNSSMCTSA-N 1 3 352.482 2.687 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000584717779 518445344 /nfs/dbraw/zinc/44/53/44/518445344.db2.gz HVOZGJOBVDDZQJ-UHFFFAOYSA-N 1 3 358.461 2.558 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000564430613 518449640 /nfs/dbraw/zinc/44/96/40/518449640.db2.gz OCMWCWJTMRBVLJ-DLBZAZTESA-N 1 3 364.559 2.731 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000576159658 518457098 /nfs/dbraw/zinc/45/70/98/518457098.db2.gz ZCKBHRLNQQUJPG-SFTDATJTSA-N 1 3 372.557 2.882 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578970463 518459929 /nfs/dbraw/zinc/45/99/29/518459929.db2.gz YWXNYUZNYDVZJF-OAQYLSRUSA-N 1 3 362.562 2.818 20 0 FFADHO CC[NH+]1CCC(CNCc2cn3ccc(Br)cc3n2)CC1 ZINC000570205056 518494258 /nfs/dbraw/zinc/49/42/58/518494258.db2.gz NOERRVLKHHVWMO-UHFFFAOYSA-N 1 3 351.292 2.918 20 0 FFADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)Cc1ccccc1 ZINC000573082315 518499497 /nfs/dbraw/zinc/49/94/97/518499497.db2.gz MMBBLCJUNQSLPJ-DQMRONCHSA-N 1 3 352.478 2.824 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccccc1 ZINC000576272466 518512679 /nfs/dbraw/zinc/51/26/79/518512679.db2.gz ZFRWOHCYTBVCDK-NHCUHLMSSA-N 1 3 354.494 2.581 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccccc1 ZINC000576272466 518512684 /nfs/dbraw/zinc/51/26/84/518512684.db2.gz ZFRWOHCYTBVCDK-NHCUHLMSSA-N 1 3 354.494 2.581 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)COc1ccccc1 ZINC000576272466 518512686 /nfs/dbraw/zinc/51/26/86/518512686.db2.gz ZFRWOHCYTBVCDK-NHCUHLMSSA-N 1 3 354.494 2.581 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000573120394 518517402 /nfs/dbraw/zinc/51/74/02/518517402.db2.gz NZTPHFJCGYNVOD-IBGZPJMESA-N 1 3 360.498 2.677 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000567453151 518530587 /nfs/dbraw/zinc/53/05/87/518530587.db2.gz QZOPLRUOWIPIQR-IBGZPJMESA-N 1 3 354.454 2.723 20 0 FFADHO CCCN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000570283332 518531146 /nfs/dbraw/zinc/53/11/46/518531146.db2.gz YBARMKJQRKFGOD-HXUWFJFHSA-N 1 3 373.541 2.658 20 0 FFADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000570305735 518542134 /nfs/dbraw/zinc/54/21/34/518542134.db2.gz BMPAQIWQYIIECM-FQEVSTJZSA-N 1 3 350.466 2.728 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CC(C)(C)OC)CC2)CC1 ZINC000576408305 518577943 /nfs/dbraw/zinc/57/79/43/518577943.db2.gz BQMXYCAPOGTWDV-MRXNPFEDSA-N 1 3 353.551 2.503 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579233964 518585660 /nfs/dbraw/zinc/58/56/60/518585660.db2.gz CJBSEIVVENQUCZ-CVEARBPZSA-N 1 3 355.482 2.956 20 0 FFADHO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000567574665 518593512 /nfs/dbraw/zinc/59/35/12/518593512.db2.gz DTIXSBLFGXTWCE-HXUWFJFHSA-N 1 3 350.466 2.510 20 0 FFADHO O=C([C@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000567574665 518593518 /nfs/dbraw/zinc/59/35/18/518593518.db2.gz DTIXSBLFGXTWCE-HXUWFJFHSA-N 1 3 350.466 2.510 20 0 FFADHO COc1ccc2c(c1)OC[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000564793566 518618553 /nfs/dbraw/zinc/61/85/53/518618553.db2.gz XOEAOKDRTJVMER-PERKRYKHSA-N 1 3 366.461 2.844 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000570542014 518658754 /nfs/dbraw/zinc/65/87/54/518658754.db2.gz KDWACMDLWKIOJE-TUNNFDKTSA-N 1 3 358.574 2.655 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])c2)CC1 ZINC000570543522 518659883 /nfs/dbraw/zinc/65/98/83/518659883.db2.gz PZCANHDMAPPODD-QFBILLFUSA-N 1 3 359.518 2.562 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000586867176 518668950 /nfs/dbraw/zinc/66/89/50/518668950.db2.gz TZYBTSCLSDISHS-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO COc1cc2c(c(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000567711203 518669109 /nfs/dbraw/zinc/66/91/09/518669109.db2.gz JWAWTGZZDZKXIF-JBYOLUDKSA-N 1 3 360.498 2.737 20 0 FFADHO Cc1ccc(-c2noc(CN3CCN(C[C@@H]4CC[NH2+][C@@H](C)C4)CC3)n2)cc1 ZINC000570615590 518694297 /nfs/dbraw/zinc/69/42/97/518694297.db2.gz FYCYVGMOMNCFEL-ZWKOTPCHSA-N 1 3 369.513 2.551 20 0 FFADHO CC(C)(C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[C@H](N)c1ccccc1 ZINC000579469509 518696423 /nfs/dbraw/zinc/69/64/23/518696423.db2.gz ILLZGNWGUQHWTE-LJQANCHMSA-N 1 3 373.541 2.864 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)COC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000570680080 518728892 /nfs/dbraw/zinc/72/88/92/518728892.db2.gz IZEMIBFBTDZPEO-PPXMBRMGSA-N 1 3 373.541 2.784 20 0 FFADHO COc1cc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)ccc1OCCN(C)C ZINC000565032789 518751359 /nfs/dbraw/zinc/75/13/59/518751359.db2.gz QOMCLIHRZLRMQR-OAHLLOKOSA-N 1 3 371.481 2.585 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576776525 518757732 /nfs/dbraw/zinc/75/77/32/518757732.db2.gz QEDDYJQRSSKQGE-RBBKRZOGSA-N 1 3 355.526 2.985 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576776525 518757734 /nfs/dbraw/zinc/75/77/34/518757734.db2.gz QEDDYJQRSSKQGE-RBBKRZOGSA-N 1 3 355.526 2.985 20 0 FFADHO COc1cc(Br)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC000582486106 518777627 /nfs/dbraw/zinc/77/76/27/518777627.db2.gz FRBOMERCJCIMPV-BETUJISGSA-N 1 3 369.303 2.898 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000573713248 518800712 /nfs/dbraw/zinc/80/07/12/518800712.db2.gz VZZPASGWIYOFIN-LJQANCHMSA-N 1 3 362.901 2.974 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000570839845 518806693 /nfs/dbraw/zinc/80/66/93/518806693.db2.gz PBWOLKSHDFDYLV-JXFKEZNVSA-N 1 3 352.482 2.608 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccn(-c2ccccc2)n1 ZINC000573763127 518823703 /nfs/dbraw/zinc/82/37/03/518823703.db2.gz HMIWDYOGJAXBOA-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccn(-c2ccccc2)n1 ZINC000573763127 518823708 /nfs/dbraw/zinc/82/37/08/518823708.db2.gz HMIWDYOGJAXBOA-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@H]2CCCCCN2)c1 ZINC000579843857 518883660 /nfs/dbraw/zinc/88/36/60/518883660.db2.gz YNONIPJOGJGBMN-LJQANCHMSA-N 1 3 372.513 2.972 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000571046021 518901833 /nfs/dbraw/zinc/90/18/33/518901833.db2.gz SWFJXVIIRAWVMD-IFMALSPDSA-N 1 3 370.585 2.799 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000589220809 518954556 /nfs/dbraw/zinc/95/45/56/518954556.db2.gz WKGUOZJTYGSYNQ-IBGZPJMESA-N 1 3 360.546 2.943 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000589220809 518954561 /nfs/dbraw/zinc/95/45/61/518954561.db2.gz WKGUOZJTYGSYNQ-IBGZPJMESA-N 1 3 360.546 2.943 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000582952326 519004078 /nfs/dbraw/zinc/00/40/78/519004078.db2.gz SGVHLJYWRULIOC-SFTDATJTSA-N 1 3 354.498 2.899 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)CC2)CC1 ZINC000580092271 519004542 /nfs/dbraw/zinc/00/45/42/519004542.db2.gz ARBVAEDPTROJEW-UYAOXDASSA-N 1 3 365.562 2.503 20 0 FFADHO [NH3+][C@@H](CC(=O)NC[C@@H](c1cccs1)N1CCCC1)Cc1ccccc1 ZINC000582961180 519008412 /nfs/dbraw/zinc/00/84/12/519008412.db2.gz UCJHNJUKRVUCNY-MSOLQXFVSA-N 1 3 357.523 2.961 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000574186505 519030245 /nfs/dbraw/zinc/03/02/45/519030245.db2.gz RZTLZODIRHVNSY-OAQYLSRUSA-N 1 3 356.514 2.551 20 0 FFADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000583019440 519038369 /nfs/dbraw/zinc/03/83/69/519038369.db2.gz CADBCRRLXLYWOF-GJZGRUSLSA-N 1 3 360.420 2.767 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)C1 ZINC000580168795 519040624 /nfs/dbraw/zinc/04/06/24/519040624.db2.gz FUQUTPMUCPMZAT-UYAOXDASSA-N 1 3 368.481 2.987 20 0 FFADHO C[C@@H](OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000580185363 519049889 /nfs/dbraw/zinc/04/98/89/519049889.db2.gz HJNWLULGPUURTF-LJFMXPCSSA-N 1 3 352.906 2.993 20 0 FFADHO C[C@@H](OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000580185363 519049896 /nfs/dbraw/zinc/04/98/96/519049896.db2.gz HJNWLULGPUURTF-LJFMXPCSSA-N 1 3 352.906 2.993 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C[C@@H]21 ZINC000571417193 519088127 /nfs/dbraw/zinc/08/81/27/519088127.db2.gz VLBWUKKYKSUAGK-IYWMVGAKSA-N 1 3 356.514 2.592 20 0 FFADHO C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000580289932 519100171 /nfs/dbraw/zinc/10/01/71/519100171.db2.gz MOPJGWFLCORQSJ-SFHVURJKSA-N 1 3 360.502 2.561 20 0 FFADHO C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000580289932 519100180 /nfs/dbraw/zinc/10/01/80/519100180.db2.gz MOPJGWFLCORQSJ-SFHVURJKSA-N 1 3 360.502 2.561 20 0 FFADHO CN(C(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000565776945 519127802 /nfs/dbraw/zinc/12/78/02/519127802.db2.gz MWARCQAWBATKBJ-RTWAWAEBSA-N 1 3 369.484 2.991 20 0 FFADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1=O ZINC000574400844 519137065 /nfs/dbraw/zinc/13/70/65/519137065.db2.gz ZAAYNWZWOFTEGM-WTGUMLROSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000568807726 519222214 /nfs/dbraw/zinc/22/22/14/519222214.db2.gz DXWFILLJOVREQZ-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000568807726 519222217 /nfs/dbraw/zinc/22/22/17/519222217.db2.gz DXWFILLJOVREQZ-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000574635509 519253683 /nfs/dbraw/zinc/25/36/83/519253683.db2.gz NMPJBMUGGGUENC-AUSIDOKSSA-N 1 3 369.553 2.932 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106514 519301984 /nfs/dbraw/zinc/30/19/84/519301984.db2.gz SRWCNHGOONUKIK-HIFRSBDPSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106514 519301993 /nfs/dbraw/zinc/30/19/93/519301993.db2.gz SRWCNHGOONUKIK-HIFRSBDPSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106514 519302002 /nfs/dbraw/zinc/30/20/02/519302002.db2.gz SRWCNHGOONUKIK-HIFRSBDPSA-N 1 3 358.404 2.519 20 0 FFADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000566201227 519365885 /nfs/dbraw/zinc/36/58/85/519365885.db2.gz CPYVNIYEDSXXHU-GOSISDBHSA-N 1 3 350.466 2.578 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C2CC2)CC1 ZINC000590788428 519371948 /nfs/dbraw/zinc/37/19/48/519371948.db2.gz ZMJWWUXFFREIDK-NRFANRHFSA-N 1 3 355.526 2.950 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000569101595 519378763 /nfs/dbraw/zinc/37/87/63/519378763.db2.gz ZSLBVVYFFQZQDU-JYJNAYRXSA-N 1 3 352.548 2.946 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000580882797 519408266 /nfs/dbraw/zinc/40/82/66/519408266.db2.gz ZMPAWICHORFXGO-QRVBRYPASA-N 1 3 362.493 2.526 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)c(C)c2)CC1 ZINC000566296464 519420694 /nfs/dbraw/zinc/42/06/94/519420694.db2.gz UDSIVGFVKZRVSB-PGRDOPGGSA-N 1 3 370.541 2.855 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000581189404 519568138 /nfs/dbraw/zinc/56/81/38/519568138.db2.gz NZCHKRFDICDSIM-PMACEKPBSA-N 1 3 352.482 2.734 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N(C)C ZINC000572380973 519586125 /nfs/dbraw/zinc/58/61/25/519586125.db2.gz JVAXKRWDRNEYDC-LMNJBCLMSA-N 1 3 358.530 2.771 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCCCC1 ZINC000591541481 519942961 /nfs/dbraw/zinc/94/29/61/519942961.db2.gz UFPFEUZHUKMDBD-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H](C(=O)NCCC[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000599967537 519977175 /nfs/dbraw/zinc/97/71/75/519977175.db2.gz WEBRCVICYBPDIC-IBGZPJMESA-N 1 3 357.542 2.932 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000608685099 520079906 /nfs/dbraw/zinc/07/99/06/520079906.db2.gz HIZQYXQNQMPHLU-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000608685099 520079914 /nfs/dbraw/zinc/07/99/14/520079914.db2.gz HIZQYXQNQMPHLU-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000608698836 520086156 /nfs/dbraw/zinc/08/61/56/520086156.db2.gz XERVJVGXBRBOAX-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000608698836 520086160 /nfs/dbraw/zinc/08/61/60/520086160.db2.gz XERVJVGXBRBOAX-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000608698371 520086226 /nfs/dbraw/zinc/08/62/26/520086226.db2.gz OIWQBLMTDANOOT-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000608698371 520086230 /nfs/dbraw/zinc/08/62/30/520086230.db2.gz OIWQBLMTDANOOT-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000594950735 520226329 /nfs/dbraw/zinc/22/63/29/520226329.db2.gz DJZRQOFTQAOMGJ-LJQANCHMSA-N 1 3 362.562 2.959 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCCCCC1 ZINC000594968175 520233786 /nfs/dbraw/zinc/23/37/86/520233786.db2.gz VFNUILVEDUVMOE-RBUKOAKNSA-N 1 3 350.551 2.671 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000612967156 520245601 /nfs/dbraw/zinc/24/56/01/520245601.db2.gz YFUQJXLGVVUAPJ-VQTJNVASSA-N 1 3 370.541 2.901 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612990115 520258908 /nfs/dbraw/zinc/25/89/08/520258908.db2.gz NYEUVMMCNVMQSY-RTBURBONSA-N 1 3 370.541 2.728 20 0 FFADHO Fc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1-n1ccnc1 ZINC000603517309 520293025 /nfs/dbraw/zinc/29/30/25/520293025.db2.gz OHHUULUAHFXRBY-GOSISDBHSA-N 1 3 358.461 2.744 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000600894770 520516419 /nfs/dbraw/zinc/51/64/19/520516419.db2.gz ROSDAJOPZUDBSF-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000600894770 520516427 /nfs/dbraw/zinc/51/64/27/520516427.db2.gz ROSDAJOPZUDBSF-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1ccc(Cl)cc1 ZINC000617503700 520537011 /nfs/dbraw/zinc/53/70/11/520537011.db2.gz VEZURMYOPNRUBZ-AWEZNQCLSA-N 1 3 357.951 2.820 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1ccc(Cl)cc1 ZINC000617503700 520537004 /nfs/dbraw/zinc/53/70/04/520537004.db2.gz VEZURMYOPNRUBZ-AWEZNQCLSA-N 1 3 357.951 2.820 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592953916 520659972 /nfs/dbraw/zinc/65/99/72/520659972.db2.gz HCJXJOINNWNJHB-HKUYNNGSSA-N 1 3 369.513 2.532 20 0 FFADHO CCN(C(=O)c1ccc(OCC[NH+](CC)CC)cc1)[C@@H]1CCN(CC)C1 ZINC000617930782 520789884 /nfs/dbraw/zinc/78/98/84/520789884.db2.gz IHWVVTPLLFTJLN-LJQANCHMSA-N 1 3 361.530 2.964 20 0 FFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000614343727 520917817 /nfs/dbraw/zinc/91/78/17/520917817.db2.gz YQEDNYMMCQBUCO-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000614343727 520917822 /nfs/dbraw/zinc/91/78/22/520917822.db2.gz YQEDNYMMCQBUCO-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614661581 521076489 /nfs/dbraw/zinc/07/64/89/521076489.db2.gz RANQVFZMWXDWHI-IRXDYDNUSA-N 1 3 352.482 2.756 20 0 FFADHO C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000606623665 521108884 /nfs/dbraw/zinc/10/88/84/521108884.db2.gz YFCQRWSBBAEMOA-NVXWUHKLSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000606650266 521123494 /nfs/dbraw/zinc/12/34/94/521123494.db2.gz GPOPVUMIVOWZRO-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000606650266 521123504 /nfs/dbraw/zinc/12/35/04/521123504.db2.gz GPOPVUMIVOWZRO-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000606700019 521141882 /nfs/dbraw/zinc/14/18/82/521141882.db2.gz ALXQGYJZZNBEHC-INIZCTEOSA-N 1 3 362.518 2.616 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606701238 521143844 /nfs/dbraw/zinc/14/38/44/521143844.db2.gz YWZMZSUPEIFLRW-QGZVFWFLSA-N 1 3 352.567 2.870 20 0 FFADHO COC(=O)c1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)s1 ZINC000593731256 521179713 /nfs/dbraw/zinc/17/97/13/521179713.db2.gz VGVFCFLVYKHXQD-BZUAXINKSA-N 1 3 352.500 2.704 20 0 FFADHO CC(C)Oc1ccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000607230660 521301337 /nfs/dbraw/zinc/30/13/37/521301337.db2.gz DPXRWMRAVWIPPT-KRWDZBQOSA-N 1 3 364.534 2.670 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000618989930 521338600 /nfs/dbraw/zinc/33/86/00/521338600.db2.gz AEXFVALGAQFMGN-ICSRJNTNSA-N 1 3 358.530 2.530 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000616077750 521616914 /nfs/dbraw/zinc/61/69/14/521616914.db2.gz RICNUQJQRKBDLL-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO Clc1cccc(N2CCN(C3CCN(CC45CC(C4)C[NH2+]5)CC3)CC2)c1 ZINC000634996952 521857788 /nfs/dbraw/zinc/85/77/88/521857788.db2.gz ZMMTXAXDPNSGCP-UHFFFAOYSA-N 1 3 374.960 2.678 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000623520344 522087780 /nfs/dbraw/zinc/08/77/80/522087780.db2.gz HEBMFSXNFWUPFC-LEWJYISDSA-N 1 3 351.494 2.710 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000623520344 522087785 /nfs/dbraw/zinc/08/77/85/522087785.db2.gz HEBMFSXNFWUPFC-LEWJYISDSA-N 1 3 351.494 2.710 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623542779 522105896 /nfs/dbraw/zinc/10/58/96/522105896.db2.gz PKWHNXXFCGVVEL-PCCBWWKXSA-N 1 3 355.526 2.745 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623542779 522105901 /nfs/dbraw/zinc/10/59/01/522105901.db2.gz PKWHNXXFCGVVEL-PCCBWWKXSA-N 1 3 355.526 2.745 20 0 FFADHO c1ccc2c(c1)CO[C@H](CN[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000629512658 522292161 /nfs/dbraw/zinc/29/21/61/522292161.db2.gz HXTRWAMFBDZQTB-CZTZKLFOSA-N 1 3 350.462 2.973 20 0 FFADHO C[C@H]([NH3+])C1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629514438 522292522 /nfs/dbraw/zinc/29/25/22/522292522.db2.gz ZWCAMYQUNQZZKZ-MEDUHNTESA-N 1 3 366.303 2.762 20 0 FFADHO C(c1nc(C2CCCCC2)no1)C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000629552057 522306741 /nfs/dbraw/zinc/30/67/41/522306741.db2.gz ZKCCDISUFBVVAF-GOSISDBHSA-N 1 3 374.529 2.893 20 0 FFADHO O[C@H](CN[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C[NH+]1CCCC1 ZINC000629579068 522329210 /nfs/dbraw/zinc/32/92/10/522329210.db2.gz QCQVNXYBRNHNLU-RBSFLKMASA-N 1 3 371.294 2.881 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000623878221 522341316 /nfs/dbraw/zinc/34/13/16/522341316.db2.gz BWPPWEZHNPEATL-JSXRDJHFSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000623878221 522341321 /nfs/dbraw/zinc/34/13/21/522341321.db2.gz BWPPWEZHNPEATL-JSXRDJHFSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000624074413 522458767 /nfs/dbraw/zinc/45/87/67/522458767.db2.gz BNQACHPGFJWKRE-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000624074413 522458776 /nfs/dbraw/zinc/45/87/76/522458776.db2.gz BNQACHPGFJWKRE-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@@H]1CN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[C@@H]1[NH3+] ZINC000633010633 522472787 /nfs/dbraw/zinc/47/27/87/522472787.db2.gz CWGWPEHIHKNHFK-MOPGFXCFSA-N 1 3 358.530 2.810 20 0 FFADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624123973 522491986 /nfs/dbraw/zinc/49/19/86/522491986.db2.gz VDNUMMIEOSVLSP-YLJYHZDGSA-N 1 3 357.502 2.740 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000626934117 522539519 /nfs/dbraw/zinc/53/95/19/522539519.db2.gz STSRCXKQMAJIAA-HOTGVXAUSA-N 1 3 350.532 2.715 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624610587 522816179 /nfs/dbraw/zinc/81/61/79/522816179.db2.gz VXCOALMCGDWABA-TZIWHRDSSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624610587 522816182 /nfs/dbraw/zinc/81/61/82/522816182.db2.gz VXCOALMCGDWABA-TZIWHRDSSA-N 1 3 372.557 2.882 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000624614332 522822237 /nfs/dbraw/zinc/82/22/37/522822237.db2.gz PINMEROZLXYYAF-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000624614332 522822242 /nfs/dbraw/zinc/82/22/42/522822242.db2.gz PINMEROZLXYYAF-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CCCC[N@H+](C)C3)CC2)CC1 ZINC000624614065 522822409 /nfs/dbraw/zinc/82/24/09/522822409.db2.gz JNQCNBRRMNBUTQ-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+](C)C3)CC2)CC1 ZINC000624614065 522822411 /nfs/dbraw/zinc/82/24/11/522822411.db2.gz JNQCNBRRMNBUTQ-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)[C@H](CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000636456296 522992190 /nfs/dbraw/zinc/99/21/90/522992190.db2.gz WJBPGJLKIZZYNG-LJQANCHMSA-N 1 3 370.501 2.574 20 0 FFADHO Cc1ccccc1CO[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000624935430 523040005 /nfs/dbraw/zinc/04/00/05/523040005.db2.gz JLGAZRPIUVKHRP-SFHVURJKSA-N 1 3 373.541 2.575 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000624951522 523053044 /nfs/dbraw/zinc/05/30/44/523053044.db2.gz AXTNWVPRNGTJPP-LEWJYISDSA-N 1 3 367.493 2.911 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000624951522 523053052 /nfs/dbraw/zinc/05/30/52/523053052.db2.gz AXTNWVPRNGTJPP-LEWJYISDSA-N 1 3 367.493 2.911 20 0 FFADHO CN1CCC(n2cc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)cn2)CC1 ZINC000634094490 523179528 /nfs/dbraw/zinc/17/95/28/523179528.db2.gz AYYLPHHMOMRNFH-LJQANCHMSA-N 1 3 355.486 2.781 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000628050497 523303689 /nfs/dbraw/zinc/30/36/89/523303689.db2.gz FQEPPXXNKAJGCZ-NOENWEJRSA-N 1 3 363.933 2.614 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000628050497 523303693 /nfs/dbraw/zinc/30/36/93/523303693.db2.gz FQEPPXXNKAJGCZ-NOENWEJRSA-N 1 3 363.933 2.614 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000628051433 523304865 /nfs/dbraw/zinc/30/48/65/523304865.db2.gz FXJQFRBCPYVTEU-KRDRHDLTSA-N 1 3 363.933 2.614 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000628051433 523304868 /nfs/dbraw/zinc/30/48/68/523304868.db2.gz FXJQFRBCPYVTEU-KRDRHDLTSA-N 1 3 363.933 2.614 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000631173168 523434669 /nfs/dbraw/zinc/43/46/69/523434669.db2.gz NVTYIBVXJJHFRU-OAQYLSRUSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000631173168 523434683 /nfs/dbraw/zinc/43/46/83/523434683.db2.gz NVTYIBVXJJHFRU-OAQYLSRUSA-N 1 3 353.466 2.501 20 0 FFADHO O[C@]1(CNCCc2noc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000634649358 523550769 /nfs/dbraw/zinc/55/07/69/523550769.db2.gz LVHPIGJTFPTPFQ-NRFANRHFSA-N 1 3 351.450 2.597 20 0 FFADHO O[C@]1(CNCCc2noc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649358 523550778 /nfs/dbraw/zinc/55/07/78/523550778.db2.gz LVHPIGJTFPTPFQ-NRFANRHFSA-N 1 3 351.450 2.597 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4ncccc43)cc2)CC1 ZINC000631570055 523697775 /nfs/dbraw/zinc/69/77/75/523697775.db2.gz PDGBZTWWOFVSCT-QFIPXVFZSA-N 1 3 350.510 2.996 20 0 FFADHO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000631688322 523752539 /nfs/dbraw/zinc/75/25/39/523752539.db2.gz MAXSODIBEBBZEH-XIRDDKMYSA-N 1 3 367.419 2.882 20 0 FFADHO Cc1cc(NC(=O)CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC000521319382 562174185 /nfs/dbraw/zinc/17/41/85/562174185.db2.gz RXLPPWSSHXXDEQ-MOPGFXCFSA-N 1 3 368.481 2.766 20 0 FFADHO Cc1cc(NC(=O)CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)no1 ZINC000521319382 562174186 /nfs/dbraw/zinc/17/41/86/562174186.db2.gz RXLPPWSSHXXDEQ-MOPGFXCFSA-N 1 3 368.481 2.766 20 0 FFADHO Cc1cc(NC(=O)CCN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471857229 561013145 /nfs/dbraw/zinc/01/31/45/561013145.db2.gz OERWWELBHGBZCO-OALUTQOASA-N 1 3 370.497 2.984 20 0 FFADHO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)no1 ZINC000471857229 561013146 /nfs/dbraw/zinc/01/31/46/561013146.db2.gz OERWWELBHGBZCO-OALUTQOASA-N 1 3 370.497 2.984 20 0 FFADHO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)no1 ZINC000471857229 561013147 /nfs/dbraw/zinc/01/31/47/561013147.db2.gz OERWWELBHGBZCO-OALUTQOASA-N 1 3 370.497 2.984 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418581970 729856475 /nfs/dbraw/zinc/85/64/75/729856475.db2.gz MPNLLQJBFAHUKV-IAGOWNOFSA-N 1 3 352.910 2.683 20 0 FFADHO CN(C)C(=O)CC[NH+]1CCC(NC/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512053646 729931352 /nfs/dbraw/zinc/93/13/52/729931352.db2.gz SELQLHDDQJDDHC-ARJAWSKDSA-N 1 3 351.441 2.510 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641051906 730194481 /nfs/dbraw/zinc/19/44/81/730194481.db2.gz KWLIRBXRBPQBKR-QGZVFWFLSA-N 1 3 352.910 2.555 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862273422 730684438 /nfs/dbraw/zinc/68/44/38/730684438.db2.gz ZEUNLVGJNAKKIC-HUUCEWRRSA-N 1 3 361.477 2.953 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862273422 730684439 /nfs/dbraw/zinc/68/44/39/730684439.db2.gz ZEUNLVGJNAKKIC-HUUCEWRRSA-N 1 3 361.477 2.953 20 0 FFADHO Cc1nn2c(C[NH2+]C[C@@H]3CN(C)C[C@H]3c3ccccc3)c(C)nc2s1 ZINC000647249337 730728319 /nfs/dbraw/zinc/72/83/19/730728319.db2.gz SQZYYRRTLPGUAY-SJORKVTESA-N 1 3 355.511 2.843 20 0 FFADHO FC(F)(F)c1cc(Cl)c2nnc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)n2c1 ZINC000647791240 730762407 /nfs/dbraw/zinc/76/24/07/730762407.db2.gz BBWJIIJMXIAUSZ-HOSYDEDBSA-N 1 3 373.810 2.879 20 0 FFADHO COC[C@@H](CCC[NH3+])NC1(c2cc(Br)ccc2OC)CC1 ZINC000647800542 730763047 /nfs/dbraw/zinc/76/30/47/730763047.db2.gz FCZKGJDJWHRRLY-CYBMUJFWSA-N 1 3 357.292 2.790 20 0 FFADHO C[C@@](NCCCC1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000647991980 730780768 /nfs/dbraw/zinc/78/07/68/730780768.db2.gz LTEGDNSMNFMLPV-KRWDZBQOSA-N 1 3 357.420 2.775 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1ccsc1 ZINC000649292623 730874994 /nfs/dbraw/zinc/87/49/94/730874994.db2.gz TXNKWWHEDACGFL-SFHVURJKSA-N 1 3 357.523 2.744 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC[NH+]1CCCCC1)c1ccco1 ZINC000651092335 731054852 /nfs/dbraw/zinc/05/48/52/731054852.db2.gz HXTYUQAXJUAEJQ-DLBZAZTESA-N 1 3 350.507 2.836 20 0 FFADHO Brc1cnn(CCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925675116 738522095 /nfs/dbraw/zinc/52/20/95/738522095.db2.gz VTSTVJILNMUQPK-CVEARBPZSA-N 1 3 355.324 2.794 20 0 FFADHO C[C@]1(CNC2CC[NH+](C[C@H]3CCCO3)CC2)OCCc2sccc21 ZINC000655768316 731506776 /nfs/dbraw/zinc/50/67/76/731506776.db2.gz VKCMWTHDCTUNBC-VQIMIIECSA-N 1 3 350.528 2.769 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(N2CCCOC2=O)cc1 ZINC000925778664 738529229 /nfs/dbraw/zinc/52/92/29/738529229.db2.gz USLQIVHHKJSFRS-ZFWWWQNUSA-N 1 3 353.413 2.929 20 0 FFADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)s1 ZINC000925854034 738537229 /nfs/dbraw/zinc/53/72/29/738537229.db2.gz JXHHRBPHLJDKFN-MNOVXSKESA-N 1 3 373.316 2.847 20 0 FFADHO O=C1CCCN1Cc1ccccc1CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873212502 731891801 /nfs/dbraw/zinc/89/18/01/731891801.db2.gz MNSOGVGNDHOVIR-UHFFFAOYSA-N 1 3 355.507 2.806 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)c2cccs2)CC1 ZINC000659427442 731975129 /nfs/dbraw/zinc/97/51/29/731975129.db2.gz OQBGZLLHYVUYNF-KOHRHEQBSA-N 1 3 362.543 2.572 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(F)ccc1OC(F)F ZINC000660139111 732070923 /nfs/dbraw/zinc/07/09/23/732070923.db2.gz JVQRZTVRWXJYRY-UHFFFAOYSA-N 1 3 359.436 2.885 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCN3C[C@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497910 732115607 /nfs/dbraw/zinc/11/56/07/732115607.db2.gz SZEIJIKQFIBOIU-JENIJYKNSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCN3C[C@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497910 732115610 /nfs/dbraw/zinc/11/56/10/732115610.db2.gz SZEIJIKQFIBOIU-JENIJYKNSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCN3C[C@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497910 732115611 /nfs/dbraw/zinc/11/56/11/732115611.db2.gz SZEIJIKQFIBOIU-JENIJYKNSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCN3C[C@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497910 732115614 /nfs/dbraw/zinc/11/56/14/732115614.db2.gz SZEIJIKQFIBOIU-JENIJYKNSA-N 1 3 365.587 2.919 20 0 FFADHO Clc1ccc(O[C@@H]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662259274 732289585 /nfs/dbraw/zinc/28/95/85/732289585.db2.gz UAGOOBNTJQCOPG-KGLIPLIRSA-N 1 3 357.281 2.968 20 0 FFADHO Cc1cccc(Cl)c1NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000878623293 732567954 /nfs/dbraw/zinc/56/79/54/732567954.db2.gz JBTNXSDDDNJZCL-MRXNPFEDSA-N 1 3 368.953 2.791 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000664970840 732653960 /nfs/dbraw/zinc/65/39/60/732653960.db2.gz PNSXYVJJXUYNOG-AEFFLSMTSA-N 1 3 364.559 2.795 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000664970840 732653963 /nfs/dbraw/zinc/65/39/63/732653963.db2.gz PNSXYVJJXUYNOG-AEFFLSMTSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000665763668 732753258 /nfs/dbraw/zinc/75/32/58/732753258.db2.gz IMOPIHNOAJAZLG-HNNXBMFYSA-N 1 3 366.937 2.721 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000665763668 732753264 /nfs/dbraw/zinc/75/32/64/732753264.db2.gz IMOPIHNOAJAZLG-HNNXBMFYSA-N 1 3 366.937 2.721 20 0 FFADHO CC[C@H](C)n1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000666569349 732868925 /nfs/dbraw/zinc/86/89/25/732868925.db2.gz BRLRYSFSXPVLRR-GJZGRUSLSA-N 1 3 352.527 2.556 20 0 FFADHO CC[C@H](C)n1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000666569349 732868928 /nfs/dbraw/zinc/86/89/28/732868928.db2.gz BRLRYSFSXPVLRR-GJZGRUSLSA-N 1 3 352.527 2.556 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000666704640 732886180 /nfs/dbraw/zinc/88/61/80/732886180.db2.gz HTPQIHRSVQJBMM-ZFWWWQNUSA-N 1 3 366.472 2.679 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000666704640 732886183 /nfs/dbraw/zinc/88/61/83/732886183.db2.gz HTPQIHRSVQJBMM-ZFWWWQNUSA-N 1 3 366.472 2.679 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000670128494 733309178 /nfs/dbraw/zinc/30/91/78/733309178.db2.gz VGXNPPPBCMVJNK-ROUUACIJSA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000670128494 733309185 /nfs/dbraw/zinc/30/91/85/733309185.db2.gz VGXNPPPBCMVJNK-ROUUACIJSA-N 1 3 364.921 2.726 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000675178280 733761527 /nfs/dbraw/zinc/76/15/27/733761527.db2.gz RGZAKQQATTWZQN-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000675194490 733762720 /nfs/dbraw/zinc/76/27/20/733762720.db2.gz OMWIMSUUEKYPJD-JLAWEPINSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCSC(C)(C)C3)CC2)CC1 ZINC000888799136 734099105 /nfs/dbraw/zinc/09/91/05/734099105.db2.gz WXWDNXQMIOWDHO-QGZVFWFLSA-N 1 3 367.603 2.973 20 0 FFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cn1 ZINC000684553743 734246263 /nfs/dbraw/zinc/24/62/63/734246263.db2.gz UDFVKICGVNDTID-DZGCQCFKSA-N 1 3 367.335 2.663 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000685443229 734312645 /nfs/dbraw/zinc/31/26/45/734312645.db2.gz FJQSRUFVXVWXMI-KRWDZBQOSA-N 1 3 360.420 2.906 20 0 FFADHO Cc1nnc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000892616512 734581019 /nfs/dbraw/zinc/58/10/19/734581019.db2.gz NUSBXXXDOAWNCM-UHFFFAOYSA-N 1 3 359.543 2.534 20 0 FFADHO CCN1CCN(CCC[NH2+]CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000893328132 734687238 /nfs/dbraw/zinc/68/72/38/734687238.db2.gz VLGACSCIZUAQSA-UHFFFAOYSA-N 1 3 359.436 2.745 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC[C@H]1C[C@@]1(C)Br ZINC000894523309 734873694 /nfs/dbraw/zinc/87/36/94/734873694.db2.gz VSJNTJJABIDEKM-GDBMZVCRSA-N 1 3 356.308 2.675 20 0 FFADHO COC(=O)N1CCC[C@@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345673 735935491 /nfs/dbraw/zinc/93/54/91/735935491.db2.gz FUNUUQSPSUVAHT-PBHICJAKSA-N 1 3 355.429 2.955 20 0 FFADHO c1csc(CN(C[C@H]2CCCO2)C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903717991 736159371 /nfs/dbraw/zinc/15/93/71/736159371.db2.gz GXMYIOOXMJZWLL-IAGOWNOFSA-N 1 3 350.528 2.888 20 0 FFADHO FC(F)(F)c1ccc(OCC[N@@H+]2CCNCCC23CCOCC3)cc1 ZINC000903817748 736170794 /nfs/dbraw/zinc/17/07/94/736170794.db2.gz HEENJDCDUYUTSV-UHFFFAOYSA-N 1 3 358.404 2.929 20 0 FFADHO FC(F)(F)c1ccc(OCC[N@H+]2CCNCCC23CCOCC3)cc1 ZINC000903817748 736170796 /nfs/dbraw/zinc/17/07/96/736170796.db2.gz HEENJDCDUYUTSV-UHFFFAOYSA-N 1 3 358.404 2.929 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN(C)CCOc2cccc(Cl)c2)cnn1C ZINC000903878810 736182147 /nfs/dbraw/zinc/18/21/47/736182147.db2.gz ZQTCPUDXJVEDHJ-HNNXBMFYSA-N 1 3 350.894 2.510 20 0 FFADHO COc1ccc(C[C@H](C)CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903974016 736197597 /nfs/dbraw/zinc/19/75/97/736197597.db2.gz SGVBSBKSGLQMEV-RDJZCZTQSA-N 1 3 350.478 2.761 20 0 FFADHO COc1cccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1OC(F)F ZINC000904388718 736247737 /nfs/dbraw/zinc/24/77/37/736247737.db2.gz ACGWAPVOOVABLR-CQSZACIVSA-N 1 3 356.413 2.626 20 0 FFADHO CN(C)C[C@H](NC(=O)C12CC[NH+](CC1)C2)c1cccc(C(F)(F)F)c1 ZINC000913425868 737404467 /nfs/dbraw/zinc/40/44/67/737404467.db2.gz HESKIYSJWAGXFF-HNNXBMFYSA-N 1 3 355.404 2.520 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000916011045 737671250 /nfs/dbraw/zinc/67/12/50/737671250.db2.gz BJEPMZZCHOLZQZ-OALUTQOASA-N 1 3 360.571 2.599 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000916011045 737671252 /nfs/dbraw/zinc/67/12/52/737671252.db2.gz BJEPMZZCHOLZQZ-OALUTQOASA-N 1 3 360.571 2.599 20 0 FFADHO CC1CCN([C@@H](CNC(=S)NCC[NH+](C)C)c2cccs2)CC1 ZINC000916118943 737679499 /nfs/dbraw/zinc/67/94/99/737679499.db2.gz QQCNGBXGKMDRKS-HNNXBMFYSA-N 1 3 354.589 2.547 20 0 FFADHO CC(C)(CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000917007061 737735873 /nfs/dbraw/zinc/73/58/73/737735873.db2.gz WXCHOGVNEJCQJX-MRXNPFEDSA-N 1 3 355.320 2.773 20 0 FFADHO O[C@H](CN1CCC[C@@H]1Cc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000920762148 737925522 /nfs/dbraw/zinc/92/55/22/737925522.db2.gz LATXZCJGHNIUQN-MSOLQXFVSA-N 1 3 367.331 2.913 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(F)c3)C2)[C@H]1C(C)C ZINC000922393992 738137014 /nfs/dbraw/zinc/13/70/14/738137014.db2.gz MMSQHZAWEBSERY-YFHUEUNASA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(F)c3)C2)[C@H]1C(C)C ZINC000922393992 738137017 /nfs/dbraw/zinc/13/70/17/738137017.db2.gz MMSQHZAWEBSERY-YFHUEUNASA-N 1 3 355.885 2.834 20 0 FFADHO OCCCN(Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308839 738268774 /nfs/dbraw/zinc/26/87/74/738268774.db2.gz OVNQJMSCCYNUJJ-AWEZNQCLSA-N 1 3 359.297 2.556 20 0 FFADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1Cl ZINC000819172762 742347568 /nfs/dbraw/zinc/34/75/68/742347568.db2.gz GCCWQPWBDPCUGG-FHWLQOOXSA-N 1 3 352.906 2.731 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H]3CCC4(COC4)O3)C2)s1 ZINC000930374508 739096592 /nfs/dbraw/zinc/09/65/92/739096592.db2.gz UURANXWRSKHALR-IAGOWNOFSA-N 1 3 350.528 2.758 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H]3CCC4(COC4)O3)C2)s1 ZINC000930374508 739096597 /nfs/dbraw/zinc/09/65/97/739096597.db2.gz UURANXWRSKHALR-IAGOWNOFSA-N 1 3 350.528 2.758 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000787309132 739125577 /nfs/dbraw/zinc/12/55/77/739125577.db2.gz QZPUTDHYUZMVKB-ZOCIIQOWSA-N 1 3 356.457 2.725 20 0 FFADHO C[NH+](C)CC1(O)CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000931484097 739273040 /nfs/dbraw/zinc/27/30/40/739273040.db2.gz KRPJFDOWNXJTND-UHFFFAOYSA-N 1 3 360.420 2.863 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802720265 740720574 /nfs/dbraw/zinc/72/05/74/740720574.db2.gz FIKKPPLQRNTTHN-IRXDYDNUSA-N 1 3 368.978 2.891 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802720265 740720577 /nfs/dbraw/zinc/72/05/77/740720577.db2.gz FIKKPPLQRNTTHN-IRXDYDNUSA-N 1 3 368.978 2.891 20 0 FFADHO CN(CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccco1 ZINC000810728489 741445182 /nfs/dbraw/zinc/44/51/82/741445182.db2.gz RRQHIQCUFFBHPH-LJQANCHMSA-N 1 3 353.482 2.772 20 0 FFADHO CN(CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)Cc1ccco1 ZINC000810728489 741445183 /nfs/dbraw/zinc/44/51/83/741445183.db2.gz RRQHIQCUFFBHPH-LJQANCHMSA-N 1 3 353.482 2.772 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC000998795603 742046090 /nfs/dbraw/zinc/04/60/90/742046090.db2.gz JSZZRYSIFWPGKS-BOSFTKNMSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC000998795603 742046095 /nfs/dbraw/zinc/04/60/95/742046095.db2.gz JSZZRYSIFWPGKS-BOSFTKNMSA-N 1 3 367.896 2.898 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1cc(F)ccc1F ZINC000818984242 742320890 /nfs/dbraw/zinc/32/08/90/742320890.db2.gz BMQRESOWWQTRRX-SFHVURJKSA-N 1 3 350.409 2.728 20 0 FFADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1(C)C ZINC000819285572 742368184 /nfs/dbraw/zinc/36/81/84/742368184.db2.gz ABFSISJLQMBTHC-MRXNPFEDSA-N 1 3 360.329 2.642 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC[C@H](O)c1cccc(Cl)c1 ZINC000819316849 742373062 /nfs/dbraw/zinc/37/30/62/742373062.db2.gz VGBKHPUECYHTHZ-SFHVURJKSA-N 1 3 363.889 2.889 20 0 FFADHO COc1ccc(OC)c([C@H](O)CN[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000819340306 742378256 /nfs/dbraw/zinc/37/82/56/742378256.db2.gz VVQSMCNKNFLDPN-QFBILLFUSA-N 1 3 350.503 2.837 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC001022104754 742644047 /nfs/dbraw/zinc/64/40/47/742644047.db2.gz CDWAQQKQCSSDGI-REBRKWNGSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC001022104754 742644050 /nfs/dbraw/zinc/64/40/50/742644050.db2.gz CDWAQQKQCSSDGI-REBRKWNGSA-N 1 3 353.869 2.556 20 0 FFADHO Cc1cc(Cl)ccc1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028550331 742792474 /nfs/dbraw/zinc/79/24/74/742792474.db2.gz NCHKBDYMAIEOPG-JTDSTZFVSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cc(Cl)ccc1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028550331 742792478 /nfs/dbraw/zinc/79/24/78/742792478.db2.gz NCHKBDYMAIEOPG-JTDSTZFVSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000830131701 745312629 /nfs/dbraw/zinc/31/26/29/745312629.db2.gz ZPEQFOCFIWAEPV-IRXDYDNUSA-N 1 3 364.921 2.910 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc(Cl)n1 ZINC000831230112 745503028 /nfs/dbraw/zinc/50/30/28/745503028.db2.gz DORBFWHUDXTABK-GOEBONIOSA-N 1 3 352.910 2.527 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc(Cl)n1 ZINC000831230112 745503033 /nfs/dbraw/zinc/50/30/33/745503033.db2.gz DORBFWHUDXTABK-GOEBONIOSA-N 1 3 352.910 2.527 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC000844187370 747985016 /nfs/dbraw/zinc/98/50/16/747985016.db2.gz GRBCDJMTNWKIQX-HZPDHXFCSA-N 1 3 352.910 2.766 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC000844187370 747985021 /nfs/dbraw/zinc/98/50/21/747985021.db2.gz GRBCDJMTNWKIQX-HZPDHXFCSA-N 1 3 352.910 2.766 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000844187706 747985170 /nfs/dbraw/zinc/98/51/70/747985170.db2.gz KCOGPBKQMWATLO-RCBQFDQVSA-N 1 3 352.910 2.622 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)[C@@H](C)C1 ZINC000844187706 747985177 /nfs/dbraw/zinc/98/51/77/747985177.db2.gz KCOGPBKQMWATLO-RCBQFDQVSA-N 1 3 352.910 2.622 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)ccc1Br ZINC000849071741 749045046 /nfs/dbraw/zinc/04/50/46/749045046.db2.gz DSBZZRJFALMHTG-ZDUSSCGKSA-N 1 3 369.307 2.556 20 0 FFADHO C[C@H]1CN(C(=[NH2+])NCC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000849094681 749049701 /nfs/dbraw/zinc/04/97/01/749049701.db2.gz PEVDIFTYXUBXND-HNNXBMFYSA-N 1 3 364.921 2.797 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(Cl)n1 ZINC000852854921 749965922 /nfs/dbraw/zinc/96/59/22/749965922.db2.gz BFFUUSNYXYQKLI-DOTOQJQBSA-N 1 3 364.921 2.957 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc(Cl)n1 ZINC000852854921 749965924 /nfs/dbraw/zinc/96/59/24/749965924.db2.gz BFFUUSNYXYQKLI-DOTOQJQBSA-N 1 3 364.921 2.957 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000075800672 845580036 /nfs/dbraw/zinc/58/00/36/845580036.db2.gz YJFJJTGYIDSPEO-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001104810010 970873341 /nfs/dbraw/zinc/87/33/41/970873341.db2.gz VHESBGVSHGAMLY-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CCCCCF ZINC001104832864 970952588 /nfs/dbraw/zinc/95/25/88/970952588.db2.gz YAFIEIRNEPSLNG-RTBURBONSA-N 1 3 355.542 2.932 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087963937 971355899 /nfs/dbraw/zinc/35/58/99/971355899.db2.gz NKGNFPMLFRZVJR-OWCLPIDISA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087963937 971355911 /nfs/dbraw/zinc/35/59/11/971355911.db2.gz NKGNFPMLFRZVJR-OWCLPIDISA-N 1 3 361.452 2.592 20 0 FFADHO CCc1nn(C)cc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092417282 971508097 /nfs/dbraw/zinc/50/80/97/971508097.db2.gz FOWKGEXJESMJER-UHFFFAOYSA-N 1 3 367.541 2.804 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)CCCC1 ZINC001275862280 1013108889 /nfs/dbraw/zinc/10/88/89/1013108889.db2.gz FBHZHHIZZBIGBO-OAHLLOKOSA-N 1 3 357.489 2.592 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993519 971739036 /nfs/dbraw/zinc/73/90/36/971739036.db2.gz REUVMMCARFFHFV-HKBOAZHASA-N 1 3 359.558 2.997 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993519 971739041 /nfs/dbraw/zinc/73/90/41/971739041.db2.gz REUVMMCARFFHFV-HKBOAZHASA-N 1 3 359.558 2.997 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CC[C@@H]2C1)C1CCC1 ZINC001087995061 971745257 /nfs/dbraw/zinc/74/52/57/971745257.db2.gz QFMLBTNWULILLC-DXIQSLLYSA-N 1 3 367.537 2.939 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)CC[C@@H]2C1)C1CCC1 ZINC001087995061 971745265 /nfs/dbraw/zinc/74/52/65/971745265.db2.gz QFMLBTNWULILLC-DXIQSLLYSA-N 1 3 367.537 2.939 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2cccnc2)C1 ZINC001211660142 972179113 /nfs/dbraw/zinc/17/91/13/972179113.db2.gz WYAQQTCFMPLELG-LEWJYISDSA-N 1 3 366.509 2.508 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000654734506 958867005 /nfs/dbraw/zinc/86/70/05/958867005.db2.gz HVLSIQCMSSNWFT-QYZOEREBSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000654734506 958867022 /nfs/dbraw/zinc/86/70/22/958867022.db2.gz HVLSIQCMSSNWFT-QYZOEREBSA-N 1 3 362.493 2.745 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccco4)C3)CC2)CC1 ZINC000654769548 958924151 /nfs/dbraw/zinc/92/41/51/958924151.db2.gz LZSNWERZVQYEDC-SFHVURJKSA-N 1 3 359.514 2.792 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C(C)C)no3)CC2)CC1 ZINC000654792245 958949447 /nfs/dbraw/zinc/94/94/47/958949447.db2.gz FZVNBNFJOOBFNI-UHFFFAOYSA-N 1 3 362.518 2.611 20 0 FFADHO C[C@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)N(C)Cc1ccccc1 ZINC000660635618 972409455 /nfs/dbraw/zinc/40/94/55/972409455.db2.gz JIHMZXNAHRQGSE-GOSISDBHSA-N 1 3 372.557 2.928 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000660659310 972453226 /nfs/dbraw/zinc/45/32/26/972453226.db2.gz OBFHHMXPJFJTDH-FUHWJXTLSA-N 1 3 372.431 2.863 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000660659310 972453233 /nfs/dbraw/zinc/45/32/33/972453233.db2.gz OBFHHMXPJFJTDH-FUHWJXTLSA-N 1 3 372.431 2.863 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(C3CC3)cc2)C1 ZINC000969697993 959774900 /nfs/dbraw/zinc/77/49/00/959774900.db2.gz BDZTVELSDCIYEJ-WHSLLNHNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccc(C3CC3)cc2)C1 ZINC000969697993 959774906 /nfs/dbraw/zinc/77/49/06/959774906.db2.gz BDZTVELSDCIYEJ-WHSLLNHNSA-N 1 3 355.526 2.841 20 0 FFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC001211662049 972527932 /nfs/dbraw/zinc/52/79/32/972527932.db2.gz PXRHSNSFQCIUHS-GBESFXJTSA-N 1 3 361.505 2.661 20 0 FFADHO Cc1cccc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)c1F ZINC001275999246 1013267410 /nfs/dbraw/zinc/26/74/10/1013267410.db2.gz JGQHFWDBAUROLI-NRFANRHFSA-N 1 3 361.505 2.900 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1=O ZINC001276004500 1013272100 /nfs/dbraw/zinc/27/21/00/1013272100.db2.gz UQAZSXIVHNCPDD-HXUWFJFHSA-N 1 3 357.523 2.887 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3cc4ccccc4s3)C2)C1=O ZINC001276004500 1013272108 /nfs/dbraw/zinc/27/21/08/1013272108.db2.gz UQAZSXIVHNCPDD-HXUWFJFHSA-N 1 3 357.523 2.887 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2COC3(CCCC3)O2)CC1 ZINC000773415800 1013325529 /nfs/dbraw/zinc/32/55/29/1013325529.db2.gz NMTCSHXZAXOYTK-HXUWFJFHSA-N 1 3 373.541 2.994 20 0 FFADHO CN1CCCC[C@H]1c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)nc1 ZINC001167371026 962456482 /nfs/dbraw/zinc/45/64/82/962456482.db2.gz KMWCFBBKLYTWLR-FQEVSTJZSA-N 1 3 366.509 2.973 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001087135312 963081415 /nfs/dbraw/zinc/08/14/15/963081415.db2.gz ZUWILPDZEMFHCU-TYCQWZJGSA-N 1 3 371.525 2.528 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)NCc2cc(N)ccn2)c2cccs2)CC1 ZINC000891322694 963206903 /nfs/dbraw/zinc/20/69/03/963206903.db2.gz TZDMMNBZWUREEL-KRWDZBQOSA-N 1 3 373.526 2.998 20 0 FFADHO CC(C)[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCC1 ZINC000089723558 963519733 /nfs/dbraw/zinc/51/97/33/963519733.db2.gz WJCIFFACRXYJAC-PXNSSMCTSA-N 1 3 361.530 2.925 20 0 FFADHO [NH3+]Cc1ccc(OCc2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)cc1 ZINC000656456323 963592990 /nfs/dbraw/zinc/59/29/90/963592990.db2.gz YVOIPAHVMYSJPR-HXUWFJFHSA-N 1 3 363.465 2.763 20 0 FFADHO Cc1ccc(F)c(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1F ZINC001276085372 1013431540 /nfs/dbraw/zinc/43/15/40/1013431540.db2.gz HEYIWIWVDCAQGH-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO c1cc2n(n1)C[C@@H](CN1CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CN2 ZINC000684200594 963657658 /nfs/dbraw/zinc/65/76/58/963657658.db2.gz SMHBACAXNBERIE-NJDAHSKKSA-N 1 3 365.525 2.911 20 0 FFADHO c1cc2n(n1)C[C@@H](CN1CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)CN2 ZINC000684200594 963657662 /nfs/dbraw/zinc/65/76/62/963657662.db2.gz SMHBACAXNBERIE-NJDAHSKKSA-N 1 3 365.525 2.911 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)c(F)c2)C1)N(C)C ZINC001104346430 963694380 /nfs/dbraw/zinc/69/43/80/963694380.db2.gz ARHWLDZDFUTIRJ-IDHHARJASA-N 1 3 367.484 2.879 20 0 FFADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(F)cc1N(C)C ZINC000873247350 1013447097 /nfs/dbraw/zinc/44/70/97/1013447097.db2.gz LIUZEXLJVRSOIF-CQSZACIVSA-N 1 3 368.460 2.782 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000664314087 964096491 /nfs/dbraw/zinc/09/64/91/964096491.db2.gz FCLIHARQLLNIAR-INIZCTEOSA-N 1 3 370.501 2.537 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000664314087 964096498 /nfs/dbraw/zinc/09/64/98/964096498.db2.gz FCLIHARQLLNIAR-INIZCTEOSA-N 1 3 370.501 2.537 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccc(C(F)F)cc3)C2)CC[N@@H+]1C ZINC000971562526 964172710 /nfs/dbraw/zinc/17/27/10/964172710.db2.gz GPYPIJIWWWAUCN-FHLIZLRMSA-N 1 3 365.468 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccc(C(F)F)cc3)C2)CC[N@H+]1C ZINC000971562526 964172712 /nfs/dbraw/zinc/17/27/12/964172712.db2.gz GPYPIJIWWWAUCN-FHLIZLRMSA-N 1 3 365.468 2.997 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)NCC2(NCCC(F)(F)F)CC2)[C@@H](c2ccccc2)C1 ZINC001269493947 964176422 /nfs/dbraw/zinc/17/64/22/964176422.db2.gz JKYIIKHZWXEYLW-CVEARBPZSA-N 1 3 369.431 2.523 20 0 FFADHO C[N@H+]1C[C@H](C(=O)NCC2(NCCC(F)(F)F)CC2)[C@@H](c2ccccc2)C1 ZINC001269493947 964176430 /nfs/dbraw/zinc/17/64/30/964176430.db2.gz JKYIIKHZWXEYLW-CVEARBPZSA-N 1 3 369.431 2.523 20 0 FFADHO CCc1[nH+]c2ccccc2c(N2CCN([C@H]3CCNC(=O)CC3)CC2)c1C ZINC000649526017 1013488767 /nfs/dbraw/zinc/48/87/67/1013488767.db2.gz PHTGBBVEIPKFOW-QGZVFWFLSA-N 1 3 366.509 2.896 20 0 FFADHO Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c[nH+]cn21 ZINC001270370156 965006964 /nfs/dbraw/zinc/00/69/64/965006964.db2.gz XBPRLOHERBINDR-HOTGVXAUSA-N 1 3 367.478 2.588 20 0 FFADHO c1ccc([C@H]2[NH2+]CCC[C@H]2c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001211847818 965147720 /nfs/dbraw/zinc/14/77/20/965147720.db2.gz HOPSTOKVRQLUDK-VQIMIIECSA-N 1 3 361.449 2.986 20 0 FFADHO CCC[N@H+](C[C@H](O)CN1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000728388481 965171199 /nfs/dbraw/zinc/17/11/99/965171199.db2.gz ZOZLPYGUSXBZGJ-FCHUYYIVSA-N 1 3 359.558 2.820 20 0 FFADHO CCC[N@@H+](C[C@H](O)CN1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000728388481 965171206 /nfs/dbraw/zinc/17/12/06/965171206.db2.gz ZOZLPYGUSXBZGJ-FCHUYYIVSA-N 1 3 359.558 2.820 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001167986303 965892023 /nfs/dbraw/zinc/89/20/23/965892023.db2.gz CJWPUVGRXZJZIF-LNOWYTEYSA-N 1 3 361.530 2.847 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001167986303 965892026 /nfs/dbraw/zinc/89/20/26/965892026.db2.gz CJWPUVGRXZJZIF-LNOWYTEYSA-N 1 3 361.530 2.847 20 0 FFADHO c1cncc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@H]3C2)c1 ZINC001167986580 965914038 /nfs/dbraw/zinc/91/40/38/965914038.db2.gz GVHGLMPBTVRFBA-ITGJKDDRSA-N 1 3 366.553 2.851 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000894884973 966079904 /nfs/dbraw/zinc/07/99/04/966079904.db2.gz NCZBLLDQVYMKPK-UWJYYQICSA-N 1 3 370.541 2.966 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1c2c(nn1C)CCC2 ZINC000892150938 966083249 /nfs/dbraw/zinc/08/32/49/966083249.db2.gz OSDDHGSNNRHYNN-UHFFFAOYSA-N 1 3 373.589 2.537 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000892260010 966482277 /nfs/dbraw/zinc/48/22/77/966482277.db2.gz GIMFJCQOHJHNSK-MJGOQNOKSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000892260009 966482750 /nfs/dbraw/zinc/48/27/50/966482750.db2.gz GIMFJCQOHJHNSK-IEBWSBKVSA-N 1 3 356.514 2.702 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1c(C)nsc1C)N(C)C ZINC001087214779 966632652 /nfs/dbraw/zinc/63/26/52/966632652.db2.gz NNNVLDBDPCZZHX-SKDZVZGDSA-N 1 3 366.575 2.817 20 0 FFADHO CCOC(=O)N1CCC(C)(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC001204592066 966696778 /nfs/dbraw/zinc/69/67/78/966696778.db2.gz LKWVPQPYZXBTHN-GOSISDBHSA-N 1 3 351.535 2.909 20 0 FFADHO CCOC(=O)N1CCC(C)(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC001204592066 966696784 /nfs/dbraw/zinc/69/67/84/966696784.db2.gz LKWVPQPYZXBTHN-GOSISDBHSA-N 1 3 351.535 2.909 20 0 FFADHO CCOC(=O)N1CCC(C)(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC001204592071 966697298 /nfs/dbraw/zinc/69/72/98/966697298.db2.gz LKWVPQPYZXBTHN-SFHVURJKSA-N 1 3 351.535 2.909 20 0 FFADHO CCOC(=O)N1CCC(C)(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC001204592071 966697307 /nfs/dbraw/zinc/69/73/07/966697307.db2.gz LKWVPQPYZXBTHN-SFHVURJKSA-N 1 3 351.535 2.909 20 0 FFADHO c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c2c(c1)OCCO2 ZINC000657612743 966961329 /nfs/dbraw/zinc/96/13/29/966961329.db2.gz QZDBNKKUJHSBAE-UHFFFAOYSA-N 1 3 353.466 2.855 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001087230556 967112067 /nfs/dbraw/zinc/11/20/67/967112067.db2.gz AQBOGNASFICEQE-AABGKKOBSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C(C)C)[C@@H]3C2)c1 ZINC001075785085 967321913 /nfs/dbraw/zinc/32/19/13/967321913.db2.gz QVVXMCQTSGTBSR-PCCBWWKXSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C(C)C)[C@@H]3C2)c1 ZINC001075785085 967321923 /nfs/dbraw/zinc/32/19/23/967321923.db2.gz QVVXMCQTSGTBSR-PCCBWWKXSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1cccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C(C)C)[C@@H]3C2)c1 ZINC001075785085 967321934 /nfs/dbraw/zinc/32/19/34/967321934.db2.gz QVVXMCQTSGTBSR-PCCBWWKXSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1cccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C(C)C)[C@@H]3C2)c1 ZINC001075785085 967321944 /nfs/dbraw/zinc/32/19/44/967321944.db2.gz QVVXMCQTSGTBSR-PCCBWWKXSA-N 1 3 355.526 2.901 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCOC1CCCCCC1 ZINC001267241801 967385403 /nfs/dbraw/zinc/38/54/03/967385403.db2.gz LPSRYBYIPFRNCE-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCOC1CCCCCC1 ZINC001267241801 967385415 /nfs/dbraw/zinc/38/54/15/967385415.db2.gz LPSRYBYIPFRNCE-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657751051 967405222 /nfs/dbraw/zinc/40/52/22/967405222.db2.gz NZFIUYAQHOVAIE-NRFANRHFSA-N 1 3 359.558 2.988 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccnn3-c3ccc(F)cc3)C2)C1 ZINC000650708365 967558397 /nfs/dbraw/zinc/55/83/97/967558397.db2.gz YRSGJQJTEVLLRB-WRWLIDTKSA-N 1 3 358.461 2.730 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)CC[N@@H+]1C ZINC001075812027 968146069 /nfs/dbraw/zinc/14/60/69/968146069.db2.gz QUKPEMYXBFQOMO-XWPNQZOQSA-N 1 3 359.489 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)CC[N@H+]1C ZINC001075812027 968146075 /nfs/dbraw/zinc/14/60/75/968146075.db2.gz QUKPEMYXBFQOMO-XWPNQZOQSA-N 1 3 359.489 2.529 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1cccc(OC)c1 ZINC001087578796 968234235 /nfs/dbraw/zinc/23/42/35/968234235.db2.gz PBQZGCAZHCEAFO-UWHLTILDSA-N 1 3 373.541 2.895 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1cccc(OC)c1 ZINC001087578796 968234244 /nfs/dbraw/zinc/23/42/44/968234244.db2.gz PBQZGCAZHCEAFO-UWHLTILDSA-N 1 3 373.541 2.895 20 0 FFADHO CN(C[C@@H](O)C[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CC1 ZINC000685573350 968312994 /nfs/dbraw/zinc/31/29/94/968312994.db2.gz JFGPTSYFIGNKMP-LEWJYISDSA-N 1 3 359.558 2.504 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@@H+]1CCC(C)C ZINC001087601376 968320450 /nfs/dbraw/zinc/32/04/50/968320450.db2.gz OBXWZQWRTXHLAO-ZCNNSNEGSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@H+]1CCC(C)C ZINC001087601376 968320459 /nfs/dbraw/zinc/32/04/59/968320459.db2.gz OBXWZQWRTXHLAO-ZCNNSNEGSA-N 1 3 365.562 2.645 20 0 FFADHO CCOC1CCC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000657919917 968345688 /nfs/dbraw/zinc/34/56/88/968345688.db2.gz YRHSAWCFWBCCHI-UHFFFAOYSA-N 1 3 373.541 2.950 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000658297213 968638397 /nfs/dbraw/zinc/63/83/97/968638397.db2.gz YZPOTCRDUUYRCY-XXBNENTESA-N 1 3 371.569 2.925 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001024447739 968916119 /nfs/dbraw/zinc/91/61/19/968916119.db2.gz ZZOLWYVITZZXEY-LSTHTHJFSA-N 1 3 361.505 2.967 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc(CF)cc2)CC[N@H+]1C ZINC001024447739 968916125 /nfs/dbraw/zinc/91/61/25/968916125.db2.gz ZZOLWYVITZZXEY-LSTHTHJFSA-N 1 3 361.505 2.967 20 0 FFADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167551 968956400 /nfs/dbraw/zinc/95/64/00/968956400.db2.gz RKBVGPMMRRSUBB-BFHYXJOUSA-N 1 3 369.447 2.691 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665355498 969074950 /nfs/dbraw/zinc/07/49/50/969074950.db2.gz XERHRXJANIPVQB-VQTJNVASSA-N 1 3 372.557 2.818 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665355498 969074961 /nfs/dbraw/zinc/07/49/61/969074961.db2.gz XERHRXJANIPVQB-VQTJNVASSA-N 1 3 372.557 2.818 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892577709 969510748 /nfs/dbraw/zinc/51/07/48/969510748.db2.gz CMBKHOUADQDAOD-KOMQPUFPSA-N 1 3 372.435 2.516 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000659019149 969635477 /nfs/dbraw/zinc/63/54/77/969635477.db2.gz OCDIDPNTJAOZFO-UHFFFAOYSA-N 1 3 367.497 2.835 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C[C@H]1C ZINC000659034189 969650416 /nfs/dbraw/zinc/65/04/16/969650416.db2.gz ARIHYKIWGYUWQM-AYOQOUSVSA-N 1 3 360.502 2.684 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C[C@H]1C ZINC000659034189 969650419 /nfs/dbraw/zinc/65/04/19/969650419.db2.gz ARIHYKIWGYUWQM-AYOQOUSVSA-N 1 3 360.502 2.684 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659034913 969651526 /nfs/dbraw/zinc/65/15/26/969651526.db2.gz GHYVEIZRGRHWOI-OALUTQOASA-N 1 3 360.502 2.686 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659034913 969651530 /nfs/dbraw/zinc/65/15/30/969651530.db2.gz GHYVEIZRGRHWOI-OALUTQOASA-N 1 3 360.502 2.686 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659307835 969813206 /nfs/dbraw/zinc/81/32/06/969813206.db2.gz PJBDVZDSHHPWHS-FQEVSTJZSA-N 1 3 355.457 2.951 20 0 FFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cc21 ZINC000659363803 969869253 /nfs/dbraw/zinc/86/92/53/969869253.db2.gz AIHXMXKKRXJVGP-NQIIRXRSSA-N 1 3 365.477 2.978 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC/C(Cl)=C/Cl)C2)C1 ZINC001104678772 970087598 /nfs/dbraw/zinc/08/75/98/970087598.db2.gz BHYLIQCBUYTWIW-NVXVSRIKSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC/C(Cl)=C/Cl)C2)C1 ZINC001104678772 970087615 /nfs/dbraw/zinc/08/76/15/970087615.db2.gz BHYLIQCBUYTWIW-NVXVSRIKSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001104682463 970098954 /nfs/dbraw/zinc/09/89/54/970098954.db2.gz RSYLZFWUKNCXRC-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728888 970181763 /nfs/dbraw/zinc/18/17/63/970181763.db2.gz GBNLYZXGYNGFRI-HZPDHXFCSA-N 1 3 358.461 2.674 20 0 FFADHO COc1ccc2nccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000893047594 970537206 /nfs/dbraw/zinc/53/72/06/970537206.db2.gz MWIBICDXWSQMPP-UZLBHIALSA-N 1 3 354.498 2.706 20 0 FFADHO CC(C)OCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753559 970670420 /nfs/dbraw/zinc/67/04/20/970670420.db2.gz GTXWMXBUBUWBAS-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000651228340 970726956 /nfs/dbraw/zinc/72/69/56/970726956.db2.gz WWHHWPRKLMDZDE-MJGOQNOKSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1 ZINC001088106108 972821235 /nfs/dbraw/zinc/82/12/35/972821235.db2.gz NJBQHECHFWDRPT-NNWRFLSQSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1 ZINC001088106108 972821246 /nfs/dbraw/zinc/82/12/46/972821246.db2.gz NJBQHECHFWDRPT-NNWRFLSQSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088106520 972825254 /nfs/dbraw/zinc/82/52/54/972825254.db2.gz FOTMCUFERIIHIG-TYPHKJRUSA-N 1 3 359.558 2.999 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088106520 972825267 /nfs/dbraw/zinc/82/52/67/972825267.db2.gz FOTMCUFERIIHIG-TYPHKJRUSA-N 1 3 359.558 2.999 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001088212720 973680144 /nfs/dbraw/zinc/68/01/44/973680144.db2.gz KTZNYQLSTIPMHY-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001088212720 973680151 /nfs/dbraw/zinc/68/01/51/973680151.db2.gz KTZNYQLSTIPMHY-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1)[NH+]1CCCC1 ZINC001088212707 973680758 /nfs/dbraw/zinc/68/07/58/973680758.db2.gz IZWLDEPWRGRAAH-RBYXXBIKSA-N 1 3 353.938 2.640 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000665637662 973790110 /nfs/dbraw/zinc/79/01/10/973790110.db2.gz KIXCDDUMTQQYAU-QFBILLFUSA-N 1 3 364.509 2.944 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000665637662 973790118 /nfs/dbraw/zinc/79/01/18/973790118.db2.gz KIXCDDUMTQQYAU-QFBILLFUSA-N 1 3 364.509 2.944 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000661193584 973840709 /nfs/dbraw/zinc/84/07/09/973840709.db2.gz SIRNSLZHDHNUDM-NEWSRXKRSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000661193584 973840716 /nfs/dbraw/zinc/84/07/16/973840716.db2.gz SIRNSLZHDHNUDM-NEWSRXKRSA-N 1 3 358.530 2.821 20 0 FFADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C2CCCC2)CC1 ZINC000045032775 973982730 /nfs/dbraw/zinc/98/27/30/973982730.db2.gz KPBIIDYAXZONHB-UHFFFAOYSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)C3(N)CC4(CCC4)C3)c2)CC1 ZINC000662801938 974112520 /nfs/dbraw/zinc/11/25/20/974112520.db2.gz MQSBRYVNKMDRGA-UHFFFAOYSA-N 1 3 356.514 2.817 20 0 FFADHO C[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)[C@@H]1CCC[NH3+] ZINC000662893822 974522270 /nfs/dbraw/zinc/52/22/70/974522270.db2.gz QITCBLCOLIELNU-YZGWKJHDSA-N 1 3 358.530 2.660 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1cccc(OC)c1 ZINC000653106773 1014226017 /nfs/dbraw/zinc/22/60/17/1014226017.db2.gz MWRIZFBJHPQCDV-VAMGGRTRSA-N 1 3 359.514 2.725 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)CC1 ZINC000647723416 975167528 /nfs/dbraw/zinc/16/75/28/975167528.db2.gz DNKHFQDFYCJXNG-IBGZPJMESA-N 1 3 373.516 2.982 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290547 975406435 /nfs/dbraw/zinc/40/64/35/975406435.db2.gz GKUADWWRULVDQS-LPHOPBHVSA-N 1 3 361.505 2.585 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294209 975407528 /nfs/dbraw/zinc/40/75/28/975407528.db2.gz CAZQCMUNISRYKJ-UYAOXDASSA-N 1 3 373.541 2.590 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000662293289 975409399 /nfs/dbraw/zinc/40/93/99/975409399.db2.gz FUNWVWKAZOXARL-TZIWHRDSSA-N 1 3 355.526 2.892 20 0 FFADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297228 975412257 /nfs/dbraw/zinc/41/22/57/975412257.db2.gz OQRSEASPZHDHBZ-FQEVSTJZSA-N 1 3 373.541 2.551 20 0 FFADHO CCOCc1ccc(CNC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662296455 975413552 /nfs/dbraw/zinc/41/35/52/975413552.db2.gz KMXZHIFZUHIWAD-OAQYLSRUSA-N 1 3 373.541 2.551 20 0 FFADHO CC[N@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000653200597 1014261763 /nfs/dbraw/zinc/26/17/63/1014261763.db2.gz KDBUILMAASKRJO-BBTUJRGHSA-N 1 3 365.562 2.680 20 0 FFADHO CC[N@@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000653200597 1014261772 /nfs/dbraw/zinc/26/17/72/1014261772.db2.gz KDBUILMAASKRJO-BBTUJRGHSA-N 1 3 365.562 2.680 20 0 FFADHO CC[C@H]([NH2+]C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000662504866 975658515 /nfs/dbraw/zinc/65/85/15/975658515.db2.gz CVKGTJSNZFHVNF-MSOLQXFVSA-N 1 3 355.486 2.575 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[NH2+]C(C)C ZINC000662505509 975660956 /nfs/dbraw/zinc/66/09/56/975660956.db2.gz NBFOYVGZXCYYCS-SFHVURJKSA-N 1 3 355.486 2.575 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC001027892125 975718606 /nfs/dbraw/zinc/71/86/06/975718606.db2.gz OMRAKOZRCLSLTD-LSTHTHJFSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3ncccc3c2)CC[N@H+]1C ZINC001027892125 975718615 /nfs/dbraw/zinc/71/86/15/975718615.db2.gz OMRAKOZRCLSLTD-LSTHTHJFSA-N 1 3 366.509 2.656 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662661077 975795838 /nfs/dbraw/zinc/79/58/38/975795838.db2.gz JHUPUVPHUKWRBJ-IRLDBZIGSA-N 1 3 363.505 2.649 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662661077 975795847 /nfs/dbraw/zinc/79/58/47/975795847.db2.gz JHUPUVPHUKWRBJ-IRLDBZIGSA-N 1 3 363.505 2.649 20 0 FFADHO CC[C@@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000663627170 976508152 /nfs/dbraw/zinc/50/81/52/976508152.db2.gz CJMLZKRYZQYDDY-PMACEKPBSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000663627170 976508164 /nfs/dbraw/zinc/50/81/64/976508164.db2.gz CJMLZKRYZQYDDY-PMACEKPBSA-N 1 3 358.530 2.559 20 0 FFADHO COc1cccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)c1 ZINC000990759527 976932251 /nfs/dbraw/zinc/93/22/51/976932251.db2.gz CKBDYHUPAIIDOG-ALOBAPJISA-N 1 3 371.525 2.649 20 0 FFADHO COc1cccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)c1 ZINC000990759527 976932261 /nfs/dbraw/zinc/93/22/61/976932261.db2.gz CKBDYHUPAIIDOG-ALOBAPJISA-N 1 3 371.525 2.649 20 0 FFADHO COc1ccc([C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000876711097 1014360829 /nfs/dbraw/zinc/36/08/29/1014360829.db2.gz TVVJGBMRDMVYKC-LOQACUCDSA-N 1 3 371.525 2.894 20 0 FFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793616 977038663 /nfs/dbraw/zinc/03/86/63/977038663.db2.gz GZBZCKANPUSWTG-MAUKXSAKSA-N 1 3 365.481 2.684 20 0 FFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793616 977038670 /nfs/dbraw/zinc/03/86/70/977038670.db2.gz GZBZCKANPUSWTG-MAUKXSAKSA-N 1 3 365.481 2.684 20 0 FFADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000877136793 1014485663 /nfs/dbraw/zinc/48/56/63/1014485663.db2.gz LZIKNEQUFUTQTR-YSIASYRMSA-N 1 3 350.466 2.747 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)cc2)CC1 ZINC000877136440 1014485081 /nfs/dbraw/zinc/48/50/81/1014485081.db2.gz HINIMFLDAOBFFO-LEWJYISDSA-N 1 3 364.493 2.895 20 0 FFADHO O=C(N[C@H]1CCCCC12CC[NH2+]CC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000877402356 1014573043 /nfs/dbraw/zinc/57/30/43/1014573043.db2.gz CKMBNOUUSYOSGJ-PMACEKPBSA-N 1 3 370.541 2.722 20 0 FFADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001076446782 979520257 /nfs/dbraw/zinc/52/02/57/979520257.db2.gz AHVKYTFDOJJCNU-FCHUYYIVSA-N 1 3 367.537 2.841 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000655731000 979829465 /nfs/dbraw/zinc/82/94/65/979829465.db2.gz UEXKGQFOTGNLRT-QGZVFWFLSA-N 1 3 373.520 2.683 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1c1cccc(F)c1 ZINC000904370788 980259180 /nfs/dbraw/zinc/25/91/80/980259180.db2.gz DCFOMVGPHKKDQX-HNONPPJISA-N 1 3 363.477 2.856 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904389935 980262122 /nfs/dbraw/zinc/26/21/22/980262122.db2.gz YUTPKNIPEPGBPK-FQEVSTJZSA-N 1 3 368.525 2.878 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H](C)[C@@H]3CC[NH3+])c2)CC1 ZINC000904421779 980276020 /nfs/dbraw/zinc/27/60/20/980276020.db2.gz RMERXNWJBRYELG-PXNSSMCTSA-N 1 3 373.545 2.810 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905401489 980431179 /nfs/dbraw/zinc/43/11/79/980431179.db2.gz WUZYOKAWZQVXJV-HLAWJBBLSA-N 1 3 360.542 2.648 20 0 FFADHO COCCN(Cc1c(C)nn(-c2ccccn2)c1C)CC1CC[NH+](C)CC1 ZINC000877664454 1014666544 /nfs/dbraw/zinc/66/65/44/1014666544.db2.gz PGVYAZVIGBVIAU-UHFFFAOYSA-N 1 3 371.529 2.674 20 0 FFADHO CCc1cccc(CN2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)c1 ZINC001088571842 981165502 /nfs/dbraw/zinc/16/55/02/981165502.db2.gz PIXVMUIKRPPFFB-HBGVWJBISA-N 1 3 355.526 2.670 20 0 FFADHO CC[NH+]1CCC(C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)CC1 ZINC001272090537 981388805 /nfs/dbraw/zinc/38/88/05/981388805.db2.gz KMTSTOKQRKNNTE-UHFFFAOYSA-N 1 3 361.452 2.595 20 0 FFADHO COc1ccccc1-n1nccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707496 1014746678 /nfs/dbraw/zinc/74/66/78/1014746678.db2.gz HINDYODVYRCZHV-CSODHUTKSA-N 1 3 370.497 2.599 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccnn3-c3ccc(F)cc3)C2)C1 ZINC000650708366 1014746946 /nfs/dbraw/zinc/74/69/46/1014746946.db2.gz YRSGJQJTEVLLRB-XAUMDUMWSA-N 1 3 358.461 2.730 20 0 FFADHO O=C1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CN1Cc1ccccc1Cl ZINC001168372479 981612173 /nfs/dbraw/zinc/61/21/73/981612173.db2.gz YNDOURPZWGLYOF-GOSISDBHSA-N 1 3 361.917 2.905 20 0 FFADHO COc1ccc(CN(CC(=O)NC2CC[NH+](C)CC2)[C@H](C)C2CC2)cc1 ZINC000877990454 1014799645 /nfs/dbraw/zinc/79/96/45/1014799645.db2.gz SJEPEDSCRKVVGB-MRXNPFEDSA-N 1 3 359.514 2.506 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897545090 982114468 /nfs/dbraw/zinc/11/44/68/982114468.db2.gz HHINIGFBQYCOBB-SFHVURJKSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897545090 982114476 /nfs/dbraw/zinc/11/44/76/982114476.db2.gz HHINIGFBQYCOBB-SFHVURJKSA-N 1 3 364.509 2.631 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000654659130 1014826614 /nfs/dbraw/zinc/82/66/14/1014826614.db2.gz AKKSGIDOGMZEAR-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](COC)c3ccccc3)CC2)CC1 ZINC000654698662 1014847200 /nfs/dbraw/zinc/84/72/00/1014847200.db2.gz YSYNAMITCNICOE-OAQYLSRUSA-N 1 3 373.541 2.687 20 0 FFADHO C[C@H]([NH2+]C[C@@]1(c2cnn(C)c2)CCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000898054083 982607336 /nfs/dbraw/zinc/60/73/36/982607336.db2.gz PSZDAUBOCJVRBL-CZTZKLFOSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](NC[C@@]1(c2cnn(C)c2)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898054083 982607342 /nfs/dbraw/zinc/60/73/42/982607342.db2.gz PSZDAUBOCJVRBL-CZTZKLFOSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](NC[C@@]1(c2cnn(C)c2)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898054083 982607349 /nfs/dbraw/zinc/60/73/49/982607349.db2.gz PSZDAUBOCJVRBL-CZTZKLFOSA-N 1 3 368.525 2.926 20 0 FFADHO O=C1NC[C@@H](c2ccccc2)C12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377417 984312902 /nfs/dbraw/zinc/31/29/02/984312902.db2.gz GUXXIZNTHCSWQZ-NRFANRHFSA-N 1 3 367.537 2.857 20 0 FFADHO COc1ccc2c(c1)nccc2N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764184864 984359860 /nfs/dbraw/zinc/35/98/60/984359860.db2.gz BRWGIQFAKYYVND-OXJNMPFZSA-N 1 3 354.498 2.706 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000669318373 984434801 /nfs/dbraw/zinc/43/48/01/984434801.db2.gz PKYQCJGCGXGKEG-QRBPQYNOSA-N 1 3 356.514 2.639 20 0 FFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669389458 984512527 /nfs/dbraw/zinc/51/25/27/984512527.db2.gz OXCBBWVCLMUHBH-NRFANRHFSA-N 1 3 364.493 2.754 20 0 FFADHO Cc1ncccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438788 984539648 /nfs/dbraw/zinc/53/96/48/984539648.db2.gz JAGPVQJFDCNCHE-RZUBCFFCSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1ncccc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438788 984539650 /nfs/dbraw/zinc/53/96/50/984539650.db2.gz JAGPVQJFDCNCHE-RZUBCFFCSA-N 1 3 370.541 2.591 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439025 984540299 /nfs/dbraw/zinc/54/02/99/984540299.db2.gz OQHVGAXMIWHEGK-SFHLNBCPSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439025 984540306 /nfs/dbraw/zinc/54/03/06/984540306.db2.gz OQHVGAXMIWHEGK-SFHLNBCPSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC1CCC1)CC2)N(C)C ZINC001107444393 984545006 /nfs/dbraw/zinc/54/50/06/984545006.db2.gz FPHDZYWIMOSLQH-SVFBPWRDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC1CCC1)CC2)N(C)C ZINC001107444393 984545010 /nfs/dbraw/zinc/54/50/10/984545010.db2.gz FPHDZYWIMOSLQH-SVFBPWRDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2)N(C)C ZINC001107444400 984545081 /nfs/dbraw/zinc/54/50/81/984545081.db2.gz FVMBBCCEAOHWJZ-SVFBPWRDSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2)N(C)C ZINC001107444400 984545083 /nfs/dbraw/zinc/54/50/83/984545083.db2.gz FVMBBCCEAOHWJZ-SVFBPWRDSA-N 1 3 358.530 2.529 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCCOC1)CC2 ZINC001107457607 984562342 /nfs/dbraw/zinc/56/23/42/984562342.db2.gz FNQLTONSSFVLLP-WAOWUJCRSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H]1CCCOC1)CC2 ZINC001107457607 984562347 /nfs/dbraw/zinc/56/23/47/984562347.db2.gz FNQLTONSSFVLLP-WAOWUJCRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000669474150 984631274 /nfs/dbraw/zinc/63/12/74/984631274.db2.gz HEPJDRFKOXWYOI-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(Cc1cncs1)CC2)[NH+](C)C ZINC001107533829 984642429 /nfs/dbraw/zinc/64/24/29/984642429.db2.gz IFNMWJJVPWLTKQ-ZHALLVOQSA-N 1 3 364.559 2.590 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000669483555 984650670 /nfs/dbraw/zinc/65/06/70/984650670.db2.gz BAQLWVYKMUCYLN-VAMGGRTRSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669483574 984654557 /nfs/dbraw/zinc/65/45/57/984654557.db2.gz BSDAYSXCXRYXOW-XUVXKRRUSA-N 1 3 356.514 2.607 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncc(C)c1)CC2)N(C)C ZINC001107553742 984684012 /nfs/dbraw/zinc/68/40/12/984684012.db2.gz NWEDETGPNICILY-QKNQBKEWSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cncc(C)c1)CC2)N(C)C ZINC001107553742 984684015 /nfs/dbraw/zinc/68/40/15/984684015.db2.gz NWEDETGPNICILY-QKNQBKEWSA-N 1 3 358.530 2.591 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCOCC1)CC2 ZINC001107582082 984731815 /nfs/dbraw/zinc/73/18/15/984731815.db2.gz VYZBYPMKTQTLQO-TZIWHRDSSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCOCC1)CC2 ZINC001107582082 984731824 /nfs/dbraw/zinc/73/18/24/984731824.db2.gz VYZBYPMKTQTLQO-TZIWHRDSSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cccs1)CC2 ZINC001107582647 984733074 /nfs/dbraw/zinc/73/30/74/984733074.db2.gz NSDPDAWSXLSQCK-UYAOXDASSA-N 1 3 363.571 2.993 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1cccs1)CC2 ZINC001107582647 984733079 /nfs/dbraw/zinc/73/30/79/984733079.db2.gz NSDPDAWSXLSQCK-UYAOXDASSA-N 1 3 363.571 2.993 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CN1Cc1ccccc1 ZINC000669528940 984735284 /nfs/dbraw/zinc/73/52/84/984735284.db2.gz VHZHLCJVXXVRHG-HRAATJIYSA-N 1 3 364.493 2.752 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114242 984749400 /nfs/dbraw/zinc/74/94/00/984749400.db2.gz GXZADUHOXWBWGS-OAGGEKHMSA-N 1 3 363.468 2.742 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1conc1C)CC2 ZINC001107616209 984834845 /nfs/dbraw/zinc/83/48/45/984834845.db2.gz XJZVMMOMEZCTDZ-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1conc1C)CC2 ZINC001107616209 984834871 /nfs/dbraw/zinc/83/48/71/984834871.db2.gz XJZVMMOMEZCTDZ-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669586903 984867203 /nfs/dbraw/zinc/86/72/03/984867203.db2.gz PXOHKWPSKDCVRA-IEBWSBKVSA-N 1 3 362.518 2.518 20 0 FFADHO O[C@@H](C[C@H](O)c1ccccc1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000878535667 1015089932 /nfs/dbraw/zinc/08/99/32/1015089932.db2.gz AHSPBDPJAMEGKS-BJESRGMDSA-N 1 3 366.505 2.535 20 0 FFADHO O[C@@H](C[C@H](O)c1ccccc1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000878535667 1015089940 /nfs/dbraw/zinc/08/99/40/1015089940.db2.gz AHSPBDPJAMEGKS-BJESRGMDSA-N 1 3 366.505 2.535 20 0 FFADHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000765308775 985032409 /nfs/dbraw/zinc/03/24/09/985032409.db2.gz AILFAXGHFFUWNW-UHFFFAOYSA-N 1 3 369.484 2.852 20 0 FFADHO Cc1cccc2c1CCN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC000171595524 985323581 /nfs/dbraw/zinc/32/35/81/985323581.db2.gz VJXDJBKGOSWNJZ-UHFFFAOYSA-N 1 3 370.541 2.621 20 0 FFADHO O[C@H](C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)CC1(O)CCCC1 ZINC000878606017 1015127461 /nfs/dbraw/zinc/12/74/61/1015127461.db2.gz MFMKCHCRCNGBIY-SFTDATJTSA-N 1 3 358.526 2.641 20 0 FFADHO O[C@H](C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)CC1(O)CCCC1 ZINC000878606017 1015127466 /nfs/dbraw/zinc/12/74/66/1015127466.db2.gz MFMKCHCRCNGBIY-SFTDATJTSA-N 1 3 358.526 2.641 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CCc2ccccc2C1 ZINC000518137221 986378154 /nfs/dbraw/zinc/37/81/54/986378154.db2.gz ADWRXNCXUUNOGH-IRLDBZIGSA-N 1 3 370.541 2.608 20 0 FFADHO C[C@@H](NCc1cnn(CCF)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921689314 986693514 /nfs/dbraw/zinc/69/35/14/986693514.db2.gz DZYXLNLDYHBTDG-OAHLLOKOSA-N 1 3 363.456 2.594 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000761535409 987294059 /nfs/dbraw/zinc/29/40/59/987294059.db2.gz RVVNYGCXSRBCEM-FQEVSTJZSA-N 1 3 374.598 2.942 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651677551 1015326557 /nfs/dbraw/zinc/32/65/57/1015326557.db2.gz MDYZXNSOQQYTPS-GOSISDBHSA-N 1 3 355.530 2.605 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC001106339838 987982144 /nfs/dbraw/zinc/98/21/44/987982144.db2.gz BXAMKVUJWKWXAR-OWCLPIDISA-N 1 3 359.505 2.836 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@H]1C(C)C ZINC000922392380 988553106 /nfs/dbraw/zinc/55/31/06/988553106.db2.gz DGNRBRULXIMQPR-NXLVEIQXSA-N 1 3 369.509 2.900 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@H]1C(C)C ZINC000922392380 988553112 /nfs/dbraw/zinc/55/31/12/988553112.db2.gz DGNRBRULXIMQPR-NXLVEIQXSA-N 1 3 369.509 2.900 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](CNCc2nc(C)oc2C)[C@H](C)C1)[NH+](CC)CC ZINC001106660665 988605130 /nfs/dbraw/zinc/60/51/30/988605130.db2.gz WNTFEFIGEMOSTJ-LSBZLQRGSA-N 1 3 364.534 2.596 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1 ZINC001106664969 988608126 /nfs/dbraw/zinc/60/81/26/988608126.db2.gz DIOCCUBYMFQVJB-BZUAXINKSA-N 1 3 363.468 2.887 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000193698763 988830518 /nfs/dbraw/zinc/83/05/18/988830518.db2.gz UQDFTJFMTGYTHE-NRFANRHFSA-N 1 3 370.541 2.997 20 0 FFADHO CN(C)c1ccncc1CNCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922745782 988861168 /nfs/dbraw/zinc/86/11/68/988861168.db2.gz OTOBRCJRBVNZOS-UHFFFAOYSA-N 1 3 368.525 2.918 20 0 FFADHO CN(C)c1ccncc1CNCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922745782 988861192 /nfs/dbraw/zinc/86/11/92/988861192.db2.gz OTOBRCJRBVNZOS-UHFFFAOYSA-N 1 3 368.525 2.918 20 0 FFADHO COCC[N@H+](C)C[C@H](O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001168499792 988948759 /nfs/dbraw/zinc/94/87/59/988948759.db2.gz YLFWTLNGUJLOQL-IAGOWNOFSA-N 1 3 362.436 2.931 20 0 FFADHO COCC[N@@H+](C)C[C@H](O)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001168499792 988948767 /nfs/dbraw/zinc/94/87/67/988948767.db2.gz YLFWTLNGUJLOQL-IAGOWNOFSA-N 1 3 362.436 2.931 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1 ZINC001106784020 989045543 /nfs/dbraw/zinc/04/55/43/989045543.db2.gz ZUNKYDUUGLNZFJ-HUUCEWRRSA-N 1 3 351.457 2.745 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001106797634 989128923 /nfs/dbraw/zinc/12/89/23/989128923.db2.gz TVTDSRIZVOVTKE-JZJCFZNNSA-N 1 3 362.345 2.721 20 0 FFADHO O=C(CC[NH+]1CCCC1)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001273120948 989461197 /nfs/dbraw/zinc/46/11/97/989461197.db2.gz MZSOIOIQKYIPBY-NRFANRHFSA-N 1 3 358.530 2.705 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652192511 1015493937 /nfs/dbraw/zinc/49/39/37/1015493937.db2.gz CTJZMALGEXWJJT-IBGZPJMESA-N 1 3 360.546 2.916 20 0 FFADHO CN(CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)Cc1ccncc1 ZINC000652211653 1015498874 /nfs/dbraw/zinc/49/88/74/1015498874.db2.gz GVZSVKVGRYSNEW-UHFFFAOYSA-N 1 3 354.498 2.737 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033835261 989748051 /nfs/dbraw/zinc/74/80/51/989748051.db2.gz WMUFKOLLSLEMTE-NSISKUIASA-N 1 3 361.505 2.919 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033835261 989748057 /nfs/dbraw/zinc/74/80/57/989748057.db2.gz WMUFKOLLSLEMTE-NSISKUIASA-N 1 3 361.505 2.919 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001085196748 989917232 /nfs/dbraw/zinc/91/72/32/989917232.db2.gz LWTNWJYNEVSNJZ-ZACQAIPSSA-N 1 3 364.559 2.841 20 0 FFADHO C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675103925 990044539 /nfs/dbraw/zinc/04/45/39/990044539.db2.gz IKAQORMWWGXQSK-ZWOKBUDYSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652346684 1015533895 /nfs/dbraw/zinc/53/38/95/1015533895.db2.gz DRVMAMMUJSKJCO-GZSKETOLSA-N 1 3 373.541 2.513 20 0 FFADHO Cc1cncc(CNCc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2)c1 ZINC001034817228 990277646 /nfs/dbraw/zinc/27/76/46/990277646.db2.gz BQOKEIJEBTZALV-DYESRHJHSA-N 1 3 366.509 2.636 20 0 FFADHO Cc1cncc(CNCc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2)c1 ZINC001034817228 990277650 /nfs/dbraw/zinc/27/76/50/990277650.db2.gz BQOKEIJEBTZALV-DYESRHJHSA-N 1 3 366.509 2.636 20 0 FFADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000675820946 990391247 /nfs/dbraw/zinc/39/12/47/990391247.db2.gz AXFKVMSLGPQGHN-IEBWSBKVSA-N 1 3 359.514 2.694 20 0 FFADHO C[C@H](CCN1CCC[C@H](n2ccnc2)C1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676250936 990523674 /nfs/dbraw/zinc/52/36/74/990523674.db2.gz ZIHSKGCLIKBSQK-HSALFYBXSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CCN1CCC[C@H](n2ccnc2)C1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676250936 990523679 /nfs/dbraw/zinc/52/36/79/990523679.db2.gz ZIHSKGCLIKBSQK-HSALFYBXSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@H](n2ccnc2)C1)N1CCC[C@@H](n2ccnc2)C1 ZINC000676250936 990523684 /nfs/dbraw/zinc/52/36/84/990523684.db2.gz ZIHSKGCLIKBSQK-HSALFYBXSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@H](n2ccnc2)C1)N1CCC[C@@H](n2ccnc2)C1 ZINC000676250936 990523687 /nfs/dbraw/zinc/52/36/87/990523687.db2.gz ZIHSKGCLIKBSQK-HSALFYBXSA-N 1 3 356.518 2.832 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922950944 990764553 /nfs/dbraw/zinc/76/45/53/990764553.db2.gz RRMYMBIHKZFTCJ-OAQYLSRUSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1c1ccc(F)cc1 ZINC001079159041 991862872 /nfs/dbraw/zinc/86/28/72/991862872.db2.gz HGTCHDJEQXNCTL-RBUKOAKNSA-N 1 3 358.461 2.722 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198592 991873520 /nfs/dbraw/zinc/87/35/20/991873520.db2.gz IOMDFIMHXJDVBK-LSTHTHJFSA-N 1 3 361.505 2.708 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CC2)C1)C1CCC1 ZINC001079187588 991898283 /nfs/dbraw/zinc/89/82/83/991898283.db2.gz NIOWHUCJZAKGMK-VQTJNVASSA-N 1 3 359.489 2.604 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001079310766 992011277 /nfs/dbraw/zinc/01/12/77/992011277.db2.gz ITQRIPNTVRZASZ-IMFGXOCKSA-N 1 3 361.505 2.708 20 0 FFADHO Cc1nc(CN[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)c(C)s1 ZINC001485786283 992019273 /nfs/dbraw/zinc/01/92/73/992019273.db2.gz TUCRHAXSLOMWAX-KBRIMQKVSA-N 1 3 366.575 2.721 20 0 FFADHO Cc1nc(CN[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)c(C)s1 ZINC001485786283 992019279 /nfs/dbraw/zinc/01/92/79/992019279.db2.gz TUCRHAXSLOMWAX-KBRIMQKVSA-N 1 3 366.575 2.721 20 0 FFADHO C[C@@H](CCN1CCC(c2ncc[nH]2)CC1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000269247451 992022529 /nfs/dbraw/zinc/02/25/29/992022529.db2.gz ACYBUDCMSMEZDZ-INIZCTEOSA-N 1 3 356.518 2.970 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1C ZINC001079707680 992347653 /nfs/dbraw/zinc/34/76/53/992347653.db2.gz PLTXVCFQMSHUDJ-JRGCBEDISA-N 1 3 355.526 2.582 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(CO)CCOCC2)ccc1OC ZINC000183369519 992429705 /nfs/dbraw/zinc/42/97/05/992429705.db2.gz FEIZADWRZFRFES-QGZVFWFLSA-N 1 3 364.530 2.977 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)cc1 ZINC001080255344 992893821 /nfs/dbraw/zinc/89/38/21/992893821.db2.gz XOSWXNYWUPBVBI-UYAOXDASSA-N 1 3 357.542 2.848 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)cc1 ZINC001080255344 992893828 /nfs/dbraw/zinc/89/38/28/992893828.db2.gz XOSWXNYWUPBVBI-UYAOXDASSA-N 1 3 357.542 2.848 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC001107036935 993291587 /nfs/dbraw/zinc/29/15/87/993291587.db2.gz UVTKCFASWNNYDC-KMMTZUTOSA-N 1 3 362.345 2.864 20 0 FFADHO COc1ccc(C)cc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042407 993295768 /nfs/dbraw/zinc/29/57/68/993295768.db2.gz LONPXSPVTVSTKQ-IEBWSBKVSA-N 1 3 361.530 2.528 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c(C)s1 ZINC001107042331 993296240 /nfs/dbraw/zinc/29/62/40/993296240.db2.gz HWFGFKAYQMVNIB-RDTXWAMCSA-N 1 3 351.560 2.889 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001080936050 993490711 /nfs/dbraw/zinc/49/07/11/993490711.db2.gz GHPGGYIGHZBQNP-DUXKGJEZSA-N 1 3 357.542 2.773 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001080936050 993490715 /nfs/dbraw/zinc/49/07/15/993490715.db2.gz GHPGGYIGHZBQNP-DUXKGJEZSA-N 1 3 357.542 2.773 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001080998719 993523594 /nfs/dbraw/zinc/52/35/94/993523594.db2.gz KSGPHNGCDVPQFN-RDTXWAMCSA-N 1 3 365.468 2.844 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001080998719 993523602 /nfs/dbraw/zinc/52/36/02/993523602.db2.gz KSGPHNGCDVPQFN-RDTXWAMCSA-N 1 3 365.468 2.844 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001081129850 993686997 /nfs/dbraw/zinc/68/69/97/993686997.db2.gz IZLGSLAMIGUHQG-HBMCJLEFSA-N 1 3 357.542 2.957 20 0 FFADHO CC1([NH+]2CCC2)CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000880473369 1015845200 /nfs/dbraw/zinc/84/52/00/1015845200.db2.gz DGBKXQJHHFTESR-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001131572716 994410307 /nfs/dbraw/zinc/41/03/07/994410307.db2.gz MWQMHJWXCIZVDN-QUCCMNQESA-N 1 3 362.518 2.518 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC001082559614 994934361 /nfs/dbraw/zinc/93/43/61/994934361.db2.gz KLXAMYACKDCHRF-DJSGYFEHSA-N 1 3 355.935 2.678 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC001082724194 995360415 /nfs/dbraw/zinc/36/04/15/995360415.db2.gz NSYMHTRYVOSXTK-MAODMQOUSA-N 1 3 357.542 2.698 20 0 FFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)c1 ZINC001082743621 995403280 /nfs/dbraw/zinc/40/32/80/995403280.db2.gz OPMVPGPWCWBZMV-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082861633 995667030 /nfs/dbraw/zinc/66/70/30/995667030.db2.gz IVWIXILFXADIRV-JTDSTZFVSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082861633 995667040 /nfs/dbraw/zinc/66/70/40/995667040.db2.gz IVWIXILFXADIRV-JTDSTZFVSA-N 1 3 363.933 2.927 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000727228406 995726155 /nfs/dbraw/zinc/72/61/55/995726155.db2.gz GQIZFBJAJOPFIG-QGZVFWFLSA-N 1 3 361.534 2.680 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000727228406 995726163 /nfs/dbraw/zinc/72/61/63/995726163.db2.gz GQIZFBJAJOPFIG-QGZVFWFLSA-N 1 3 361.534 2.680 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001085197025 995917965 /nfs/dbraw/zinc/91/79/65/995917965.db2.gz ZOSVBWYUYUVEDZ-AQNXPRMDSA-N 1 3 358.530 2.780 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2cccnc2C)CC[N@@H+]1C ZINC001049479575 1016004093 /nfs/dbraw/zinc/00/40/93/1016004093.db2.gz AWZPDITYFOTBSB-BQJUDKOJSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2cccnc2C)CC[N@H+]1C ZINC001049479575 1016004098 /nfs/dbraw/zinc/00/40/98/1016004098.db2.gz AWZPDITYFOTBSB-BQJUDKOJSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2cccnc2C)CC[N@@H+]1C ZINC001049479585 1016001929 /nfs/dbraw/zinc/00/19/29/1016001929.db2.gz AWZPDITYFOTBSB-WOZUAGRISA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2cccnc2C)CC[N@H+]1C ZINC001049479585 1016001939 /nfs/dbraw/zinc/00/19/39/1016001939.db2.gz AWZPDITYFOTBSB-WOZUAGRISA-N 1 3 370.541 2.686 20 0 FFADHO COc1ccc(Cl)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001137265710 1016014325 /nfs/dbraw/zinc/01/43/25/1016014325.db2.gz UXFYARYNOYFEFQ-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO CCc1ccccc1CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355302 996481530 /nfs/dbraw/zinc/48/15/30/996481530.db2.gz QUHWOJXCZJJOJB-BRKWEVRTSA-N 1 3 369.553 2.664 20 0 FFADHO CCc1ccccc1CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355302 996481537 /nfs/dbraw/zinc/48/15/37/996481537.db2.gz QUHWOJXCZJJOJB-BRKWEVRTSA-N 1 3 369.553 2.664 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)CC[N@@H+]1C ZINC001084355453 996483459 /nfs/dbraw/zinc/48/34/59/996483459.db2.gz YZKQLDWTPXHPFO-XUFNMVPLSA-N 1 3 367.537 2.937 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)CC[N@H+]1C ZINC001084355453 996483461 /nfs/dbraw/zinc/48/34/61/996483461.db2.gz YZKQLDWTPXHPFO-XUFNMVPLSA-N 1 3 367.537 2.937 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084405472 996548189 /nfs/dbraw/zinc/54/81/89/996548189.db2.gz OOWAPCZWUDTPOT-NJDAHSKKSA-N 1 3 355.526 2.982 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084405472 996548192 /nfs/dbraw/zinc/54/81/92/996548192.db2.gz OOWAPCZWUDTPOT-NJDAHSKKSA-N 1 3 355.526 2.982 20 0 FFADHO CN(CCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1)c1cc[nH+]cc1 ZINC000679411833 1016043590 /nfs/dbraw/zinc/04/35/90/1016043590.db2.gz ALXGCKQUJGFNLG-UHFFFAOYSA-N 1 3 368.481 2.503 20 0 FFADHO O=C(N1C[C@H]2CCN(C[C@H]3CCC(F)(F)C3)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484152 996603284 /nfs/dbraw/zinc/60/32/84/996603284.db2.gz GLAIIHYJMHDGRI-GVDBMIGSSA-N 1 3 367.484 2.583 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084545482 996665247 /nfs/dbraw/zinc/66/52/47/996665247.db2.gz LPTRZHLDBMGFID-NJYVYQBISA-N 1 3 371.569 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084545482 996665249 /nfs/dbraw/zinc/66/52/49/996665249.db2.gz LPTRZHLDBMGFID-NJYVYQBISA-N 1 3 371.569 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001084545248 996665489 /nfs/dbraw/zinc/66/54/89/996665489.db2.gz BGVPDRAUKHQLHT-NJDAHSKKSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001084545248 996665494 /nfs/dbraw/zinc/66/54/94/996665494.db2.gz BGVPDRAUKHQLHT-NJDAHSKKSA-N 1 3 359.558 2.974 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c(C)c1 ZINC001084630903 996736850 /nfs/dbraw/zinc/73/68/50/996736850.db2.gz ZQJHDZCMKVQCEX-NHCUHLMSSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1cccc([C@H](C)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001084778077 997314586 /nfs/dbraw/zinc/31/45/86/997314586.db2.gz DNUCALPCKJBTDQ-DFQSSKMNSA-N 1 3 353.510 2.685 20 0 FFADHO CN1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000731041769 997640776 /nfs/dbraw/zinc/64/07/76/997640776.db2.gz VEOMMFPKVIVNHN-KRWDZBQOSA-N 1 3 354.498 2.503 20 0 FFADHO CCCN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000844174156 997695297 /nfs/dbraw/zinc/69/52/97/997695297.db2.gz NORHDMRKLQWKDB-SFTDATJTSA-N 1 3 373.541 2.658 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844224500 997715621 /nfs/dbraw/zinc/71/56/21/997715621.db2.gz GBYCKIIJJYCGBD-QZTJIDSGSA-N 1 3 356.514 2.547 20 0 FFADHO C[C@@H]1[C@H](C)N(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1C ZINC000844642509 998054071 /nfs/dbraw/zinc/05/40/71/998054071.db2.gz JGZXLQMXCNJBNY-UKTQYWDJSA-N 1 3 359.514 2.580 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)CC[N@@H+]1C ZINC001084943962 998241546 /nfs/dbraw/zinc/24/15/46/998241546.db2.gz KEWFDFSPDHJVMX-WEHASVPASA-N 1 3 367.537 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)CC[N@H+]1C ZINC001084943962 998241559 /nfs/dbraw/zinc/24/15/59/998241559.db2.gz KEWFDFSPDHJVMX-WEHASVPASA-N 1 3 367.537 2.963 20 0 FFADHO COc1ccc(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)nc1 ZINC001144423532 998517550 /nfs/dbraw/zinc/51/75/50/998517550.db2.gz JGNAVFALQRVYCO-UHFFFAOYSA-N 1 3 367.493 2.957 20 0 FFADHO COc1ccc(CN2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)nc1 ZINC001144423532 998517565 /nfs/dbraw/zinc/51/75/65/998517565.db2.gz JGNAVFALQRVYCO-UHFFFAOYSA-N 1 3 367.493 2.957 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)N1CCCC1 ZINC001085004960 998651592 /nfs/dbraw/zinc/65/15/92/998651592.db2.gz YUGBHUDKXJEAKU-UXHICEINSA-N 1 3 355.526 2.984 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)N1CCCC1 ZINC001085004960 998651594 /nfs/dbraw/zinc/65/15/94/998651594.db2.gz YUGBHUDKXJEAKU-UXHICEINSA-N 1 3 355.526 2.984 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC001085217831 999185131 /nfs/dbraw/zinc/18/51/31/999185131.db2.gz SRGICUNWUVHZKS-VAMGGRTRSA-N 1 3 358.530 2.781 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085306473 999330440 /nfs/dbraw/zinc/33/04/40/999330440.db2.gz BPMYCOUPJYSSHW-CGTJXYLNSA-N 1 3 364.559 2.782 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085306473 999330449 /nfs/dbraw/zinc/33/04/49/999330449.db2.gz BPMYCOUPJYSSHW-CGTJXYLNSA-N 1 3 364.559 2.782 20 0 FFADHO OCC1([C@@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc2)CCOCC1 ZINC000903929734 1016311068 /nfs/dbraw/zinc/31/10/68/1016311068.db2.gz KICRVJJGQHNNCO-QFIPXVFZSA-N 1 3 366.505 2.952 20 0 FFADHO COc1ccc(C[C@H]2CCCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903932753 1016311548 /nfs/dbraw/zinc/31/15/48/1016311548.db2.gz VYJDKZWKKPCKBN-MOPGFXCFSA-N 1 3 369.513 2.808 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1ccccc1Cl)C12CC[NH+](CC1)C2 ZINC001085395260 999451539 /nfs/dbraw/zinc/45/15/39/999451539.db2.gz CJKHHGLSCMIJSG-QZTJIDSGSA-N 1 3 361.917 2.953 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001086089685 999757948 /nfs/dbraw/zinc/75/79/48/999757948.db2.gz KYZAIEDYBGLCJA-WITVHBPWSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001086089685 999757949 /nfs/dbraw/zinc/75/79/49/999757949.db2.gz KYZAIEDYBGLCJA-WITVHBPWSA-N 1 3 365.468 2.680 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000743077526 999797681 /nfs/dbraw/zinc/79/76/81/999797681.db2.gz CYLCXKSAPZJQQK-XLIONFOSSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000743077526 999797682 /nfs/dbraw/zinc/79/76/82/999797682.db2.gz CYLCXKSAPZJQQK-XLIONFOSSA-N 1 3 373.545 2.775 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCCO1 ZINC001096609755 1016362633 /nfs/dbraw/zinc/36/26/33/1016362633.db2.gz VXKRAOVACFPMOU-QCFAMHMHSA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCCO1 ZINC001096609755 1016362647 /nfs/dbraw/zinc/36/26/47/1016362647.db2.gz VXKRAOVACFPMOU-QCFAMHMHSA-N 1 3 371.525 2.652 20 0 FFADHO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000745948940 999937838 /nfs/dbraw/zinc/93/78/38/999937838.db2.gz ZRBGMPFFSHPYOM-HKUYNNGSSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000745948940 999937839 /nfs/dbraw/zinc/93/78/39/999937839.db2.gz ZRBGMPFFSHPYOM-HKUYNNGSSA-N 1 3 358.530 2.887 20 0 FFADHO COc1cc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)cc1O ZINC001206015033 1000067916 /nfs/dbraw/zinc/06/79/16/1000067916.db2.gz ZQAZKTAZDWUGAP-NWDGAFQWSA-N 1 3 357.292 2.970 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC001146981722 1000800249 /nfs/dbraw/zinc/80/02/49/1000800249.db2.gz DZKFFRGNQGLFCQ-PKOBYXMFSA-N 1 3 363.546 2.931 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC001146981722 1000800255 /nfs/dbraw/zinc/80/02/55/1000800255.db2.gz DZKFFRGNQGLFCQ-PKOBYXMFSA-N 1 3 363.546 2.931 20 0 FFADHO CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC001148130500 1001047848 /nfs/dbraw/zinc/04/78/48/1001047848.db2.gz NOYQKVQGOLYXOV-UXHICEINSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC001148130500 1001047852 /nfs/dbraw/zinc/04/78/52/1001047852.db2.gz NOYQKVQGOLYXOV-UXHICEINSA-N 1 3 355.526 2.745 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091737126 1001182309 /nfs/dbraw/zinc/18/23/09/1001182309.db2.gz CARJWHILRSGMGP-XPNTWCBSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091737126 1001182314 /nfs/dbraw/zinc/18/23/14/1001182314.db2.gz CARJWHILRSGMGP-XPNTWCBSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c(C)c1 ZINC001091738111 1001184062 /nfs/dbraw/zinc/18/40/62/1001184062.db2.gz QRWKUQGZQASGIE-GIWBLDEGSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c(C)c1 ZINC001091738111 1001184067 /nfs/dbraw/zinc/18/40/67/1001184067.db2.gz QRWKUQGZQASGIE-GIWBLDEGSA-N 1 3 369.553 2.924 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092021761 1002298300 /nfs/dbraw/zinc/29/83/00/1002298300.db2.gz HQKIBZYJHMWVQU-URVUXULASA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092021761 1002298310 /nfs/dbraw/zinc/29/83/10/1002298310.db2.gz HQKIBZYJHMWVQU-URVUXULASA-N 1 3 357.542 2.870 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)CCN(Cc2ccccc2)C1 ZINC001184364019 1002567954 /nfs/dbraw/zinc/56/79/54/1002567954.db2.gz JZKRNHAXYYQMPH-QZNHQXDQSA-N 1 3 374.569 2.848 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)CCN(Cc2ccccc2)C1 ZINC001184364019 1002567959 /nfs/dbraw/zinc/56/79/59/1002567959.db2.gz JZKRNHAXYYQMPH-QZNHQXDQSA-N 1 3 374.569 2.848 20 0 FFADHO C[C@@]12CN(Cc3ccsc3)C[C@@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001092301770 1002633050 /nfs/dbraw/zinc/63/30/50/1002633050.db2.gz MSRGQIAMSAIODN-QUCCMNQESA-N 1 3 361.555 2.904 20 0 FFADHO CC[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000677968366 1016670180 /nfs/dbraw/zinc/67/01/80/1016670180.db2.gz IQHDZVMOGUGTNE-IAGOWNOFSA-N 1 3 360.420 2.953 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170330436 1003116651 /nfs/dbraw/zinc/11/66/51/1003116651.db2.gz NRDDTSZWRZLNKZ-NNZMDNLPSA-N 1 3 365.481 2.913 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170330436 1003116663 /nfs/dbraw/zinc/11/66/63/1003116663.db2.gz NRDDTSZWRZLNKZ-NNZMDNLPSA-N 1 3 365.481 2.913 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CCC[C@H]2C)C1 ZINC001186196540 1003217589 /nfs/dbraw/zinc/21/75/89/1003217589.db2.gz LVECCJKJSAEPRT-YVWKXTFCSA-N 1 3 361.505 2.852 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CCC[C@H]2C)C1 ZINC001186196540 1003217599 /nfs/dbraw/zinc/21/75/99/1003217599.db2.gz LVECCJKJSAEPRT-YVWKXTFCSA-N 1 3 361.505 2.852 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncc(CF)cn3)c3ccccc23)CC1 ZINC001170526725 1004620982 /nfs/dbraw/zinc/62/09/82/1004620982.db2.gz VMIZAGLSAZUPEM-UHFFFAOYSA-N 1 3 353.445 2.856 20 0 FFADHO COC(=O)CCC[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001202220567 1005323510 /nfs/dbraw/zinc/32/35/10/1005323510.db2.gz SCGDAVWVCRNIIT-INIZCTEOSA-N 1 3 366.527 2.757 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CO2 ZINC000827064551 1016964949 /nfs/dbraw/zinc/96/49/49/1016964949.db2.gz CSUQIASKBYKQCT-MRXNPFEDSA-N 1 3 367.534 2.617 20 0 FFADHO C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC001488949389 1005384732 /nfs/dbraw/zinc/38/47/32/1005384732.db2.gz VPNUMXAVAMDONJ-LSDHHAIUSA-N 1 3 353.457 2.681 20 0 FFADHO CCO[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001489016141 1005395204 /nfs/dbraw/zinc/39/52/04/1005395204.db2.gz FBMCNKKVVMBFRU-QZTJIDSGSA-N 1 3 369.594 2.854 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001489036871 1005399722 /nfs/dbraw/zinc/39/97/22/1005399722.db2.gz KHTVEXKTVUFFJL-HOJAQTOUSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CCN1Cc1ccc(OC)cc1 ZINC001489118038 1005413452 /nfs/dbraw/zinc/41/34/52/1005413452.db2.gz ZBDJJKSEAVSMTP-ZCNNSNEGSA-N 1 3 361.530 2.751 20 0 FFADHO CC[NH+](CC)CC1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851727488 1005909415 /nfs/dbraw/zinc/90/94/15/1005909415.db2.gz OYFNFTTVFOKGSG-SFHVURJKSA-N 1 3 369.550 2.676 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC001086712294 1005962538 /nfs/dbraw/zinc/96/25/38/1005962538.db2.gz YWEXCYFJLIZDSP-SXLOBPIMSA-N 1 3 358.530 2.639 20 0 FFADHO Cc1cc2cnc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)nc2[nH]1 ZINC001170714865 1006081460 /nfs/dbraw/zinc/08/14/60/1006081460.db2.gz KRIADNXHNAOLKF-WGSAOQKQSA-N 1 3 368.529 2.969 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C)C[C@H]21 ZINC001188107404 1006416335 /nfs/dbraw/zinc/41/63/35/1006416335.db2.gz NSPSLJSKDUBTPD-SLFFLAALSA-N 1 3 361.505 2.708 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C)C[C@H]21 ZINC001188107404 1006416346 /nfs/dbraw/zinc/41/63/46/1006416346.db2.gz NSPSLJSKDUBTPD-SLFFLAALSA-N 1 3 361.505 2.708 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000883248395 1006717884 /nfs/dbraw/zinc/71/78/84/1006717884.db2.gz RINDZGGEOLNDMK-HNNXBMFYSA-N 1 3 372.504 2.670 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000854335197 1006784703 /nfs/dbraw/zinc/78/47/03/1006784703.db2.gz WVROFUZVRGTNHK-AEFFLSMTSA-N 1 3 369.594 2.873 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1C ZINC001188969711 1006827098 /nfs/dbraw/zinc/82/70/98/1006827098.db2.gz AKOOENZTFBNCBG-VQTJNVASSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000855345509 1007293530 /nfs/dbraw/zinc/29/35/30/1007293530.db2.gz CELMZTQQYNLCDO-KVPUOBJLSA-N 1 3 366.575 2.842 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000855345509 1007293539 /nfs/dbraw/zinc/29/35/39/1007293539.db2.gz CELMZTQQYNLCDO-KVPUOBJLSA-N 1 3 366.575 2.842 20 0 FFADHO CC[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000817948427 1007822025 /nfs/dbraw/zinc/82/20/25/1007822025.db2.gz JQXYVWZREMFYEE-HXUWFJFHSA-N 1 3 369.509 2.896 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077777148 1007848200 /nfs/dbraw/zinc/84/82/00/1007848200.db2.gz YOSSLBDTVWZKTD-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077777148 1007848210 /nfs/dbraw/zinc/84/82/10/1007848210.db2.gz YOSSLBDTVWZKTD-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000885967645 1007856909 /nfs/dbraw/zinc/85/69/09/1007856909.db2.gz VFXJTDYLFQHUOB-LEWJYISDSA-N 1 3 358.526 2.869 20 0 FFADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000818954837 1007992056 /nfs/dbraw/zinc/99/20/56/1007992056.db2.gz XXVFPLNPQBFSKQ-HSZRJFAPSA-N 1 3 365.521 2.869 20 0 FFADHO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000818956421 1007995419 /nfs/dbraw/zinc/99/54/19/1007995419.db2.gz LHIFHZMJRZEHDM-QFIPXVFZSA-N 1 3 353.510 2.566 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490978 1008369018 /nfs/dbraw/zinc/36/90/18/1008369018.db2.gz UPQBPFNMRFOCOZ-XLAORIBOSA-N 1 3 369.550 2.626 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858766044 1008418543 /nfs/dbraw/zinc/41/85/43/1008418543.db2.gz IRVIJGOKMWCDEQ-ICSRJNTNSA-N 1 3 353.510 2.642 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858766044 1008418544 /nfs/dbraw/zinc/41/85/44/1008418544.db2.gz IRVIJGOKMWCDEQ-ICSRJNTNSA-N 1 3 353.510 2.642 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CNCc2cn3ccccc3n2)CC1 ZINC001177294097 1008545093 /nfs/dbraw/zinc/54/50/93/1008545093.db2.gz DRPZMLUCBHEBGU-UHFFFAOYSA-N 1 3 363.509 2.762 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC001177843462 1008766760 /nfs/dbraw/zinc/76/67/60/1008766760.db2.gz BEYSPUQUHBJSOD-AZUAARDMSA-N 1 3 360.546 2.908 20 0 FFADHO O[C@@H](COCc1ccco1)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886641124 1008789707 /nfs/dbraw/zinc/78/97/07/1008789707.db2.gz ABYBEPXNFNPAAQ-PWRODBHTSA-N 1 3 370.493 2.611 20 0 FFADHO O[C@@H](COCc1ccco1)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886641124 1008789722 /nfs/dbraw/zinc/78/97/22/1008789722.db2.gz ABYBEPXNFNPAAQ-PWRODBHTSA-N 1 3 370.493 2.611 20 0 FFADHO C[N@@H+]1CCC[C@H](CNCc2ccc(OCC(N)=O)cc2)[C@H]1c1cccs1 ZINC001177919041 1008790325 /nfs/dbraw/zinc/79/03/25/1008790325.db2.gz HNMHACRPTINVHH-UZLBHIALSA-N 1 3 373.522 2.785 20 0 FFADHO C[N@H+]1CCC[C@H](CNCc2ccc(OCC(N)=O)cc2)[C@H]1c1cccs1 ZINC001177919041 1008790331 /nfs/dbraw/zinc/79/03/31/1008790331.db2.gz HNMHACRPTINVHH-UZLBHIALSA-N 1 3 373.522 2.785 20 0 FFADHO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)NC(=O)Nc3ccccc3)CC2)[nH]c1C ZINC000886670517 1008805633 /nfs/dbraw/zinc/80/56/33/1008805633.db2.gz QRNPKZOFRVFMBE-HNNXBMFYSA-N 1 3 369.469 2.943 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC001180432789 1009677408 /nfs/dbraw/zinc/67/74/08/1009677408.db2.gz YMCSYSSINLHTPM-PLACYPQZSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC001180432789 1009677416 /nfs/dbraw/zinc/67/74/16/1009677416.db2.gz YMCSYSSINLHTPM-PLACYPQZSA-N 1 3 357.542 2.990 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)n1C ZINC001206793143 1032430471 /nfs/dbraw/zinc/43/04/71/1032430471.db2.gz NININGMUERQEMB-YYWHXJBOSA-N 1 3 353.514 2.856 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)n1C ZINC001206793143 1032430472 /nfs/dbraw/zinc/43/04/72/1032430472.db2.gz NININGMUERQEMB-YYWHXJBOSA-N 1 3 353.514 2.856 20 0 FFADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCNC12CCC2 ZINC000863541610 1010248708 /nfs/dbraw/zinc/24/87/08/1010248708.db2.gz KFKYJLPBYKVBJO-MAUKXSAKSA-N 1 3 355.482 2.716 20 0 FFADHO CCCCN(CC)[C@H](C(=O)NCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC001182238673 1010461536 /nfs/dbraw/zinc/46/15/36/1010461536.db2.gz YUWUMBQHNBAVFT-NRFANRHFSA-N 1 3 374.573 2.603 20 0 FFADHO CCCCN(CC)[C@H](C(=O)NCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001182238673 1010461539 /nfs/dbraw/zinc/46/15/39/1010461539.db2.gz YUWUMBQHNBAVFT-NRFANRHFSA-N 1 3 374.573 2.603 20 0 FFADHO CC(C)c1ocnc1CNC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001094020648 1010786803 /nfs/dbraw/zinc/78/68/03/1010786803.db2.gz RDLBHGFQFYPQJD-JFIYKMOQSA-N 1 3 364.534 2.568 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2C)[C@H](C)C1)N(C)C ZINC001094049137 1010808614 /nfs/dbraw/zinc/80/86/14/1010808614.db2.gz IRECYNKTVXGVGN-LZQZEXGQSA-N 1 3 361.530 2.528 20 0 FFADHO Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001094241670 1010985099 /nfs/dbraw/zinc/98/50/99/1010985099.db2.gz WFVYPUUSEFURAW-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC[C@H]21 ZINC000868032867 1011150748 /nfs/dbraw/zinc/15/07/48/1011150748.db2.gz UGSFAYOZNYISAM-HSALFYBXSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC[C@H]21 ZINC000868032867 1011150752 /nfs/dbraw/zinc/15/07/52/1011150752.db2.gz UGSFAYOZNYISAM-HSALFYBXSA-N 1 3 356.514 2.559 20 0 FFADHO CN(C)[C@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)Cc1ccccc1 ZINC000868188816 1011195015 /nfs/dbraw/zinc/19/50/15/1011195015.db2.gz NTSAUVJRTVNIRK-SLFFLAALSA-N 1 3 352.482 2.796 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001094556299 1011286471 /nfs/dbraw/zinc/28/64/71/1011286471.db2.gz LLQOEMREPDRFJL-QWFCFKBJSA-N 1 3 353.526 2.971 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001094556299 1011286482 /nfs/dbraw/zinc/28/64/82/1011286482.db2.gz LLQOEMREPDRFJL-QWFCFKBJSA-N 1 3 353.526 2.971 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCN(C)C1 ZINC000645095126 1011337390 /nfs/dbraw/zinc/33/73/90/1011337390.db2.gz HOCHLKPEEFHSKA-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)(C)N1CC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274459456 1011453473 /nfs/dbraw/zinc/45/34/73/1011453473.db2.gz UGTDFDKZELTYKX-SFHVURJKSA-N 1 3 358.530 2.702 20 0 FFADHO CC(C)(C)N1CC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274459456 1011453482 /nfs/dbraw/zinc/45/34/82/1011453482.db2.gz UGTDFDKZELTYKX-SFHVURJKSA-N 1 3 358.530 2.702 20 0 FFADHO CCO[C@H](C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)C1CCCC1 ZINC000868923532 1011532681 /nfs/dbraw/zinc/53/26/81/1011532681.db2.gz KIGRENZYJCKYIY-FQEVSTJZSA-N 1 3 365.562 2.600 20 0 FFADHO CCO[C@H](C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)C1CCCC1 ZINC000868923532 1011532697 /nfs/dbraw/zinc/53/26/97/1011532697.db2.gz KIGRENZYJCKYIY-FQEVSTJZSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000645693459 1011569021 /nfs/dbraw/zinc/56/90/21/1011569021.db2.gz ZYQCXLOBLSYPBD-HKUYNNGSSA-N 1 3 366.509 2.978 20 0 FFADHO COCCC[NH+]1CCC(N[C@H]2CSc3ccc(OC)cc3C2)CC1 ZINC001172249074 1011719477 /nfs/dbraw/zinc/71/94/77/1011719477.db2.gz HFPGDCOSFXCAKC-QGZVFWFLSA-N 1 3 350.528 2.803 20 0 FFADHO COCCC[NH+]1CCC(N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001172255692 1011731242 /nfs/dbraw/zinc/73/12/42/1011731242.db2.gz KSGRPFKUSCPBRH-WDSOQIARSA-N 1 3 366.546 2.930 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095903729 1011961513 /nfs/dbraw/zinc/96/15/13/1011961513.db2.gz JWXCDISGEUZJGB-BDXSIMOUSA-N 1 3 369.500 2.875 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095903729 1011961524 /nfs/dbraw/zinc/96/15/24/1011961524.db2.gz JWXCDISGEUZJGB-BDXSIMOUSA-N 1 3 369.500 2.875 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C[C@H](C)N1 ZINC000646737037 1012163793 /nfs/dbraw/zinc/16/37/93/1012163793.db2.gz OXONLYSKXJMBPY-FGTMMUONSA-N 1 3 359.514 2.762 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C[C@H](C)N1 ZINC000646737037 1012163798 /nfs/dbraw/zinc/16/37/98/1012163798.db2.gz OXONLYSKXJMBPY-FGTMMUONSA-N 1 3 359.514 2.762 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870183000 1012243286 /nfs/dbraw/zinc/24/32/86/1012243286.db2.gz PQAPYSLQTVXILQ-FQEVSTJZSA-N 1 3 355.526 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)c1cccc(OC)c1 ZINC000870860241 1012610352 /nfs/dbraw/zinc/61/03/52/1012610352.db2.gz IOTSBUXPENQVCO-IPFXWSOASA-N 1 3 359.514 2.727 20 0 FFADHO CCOCc1ccc(CNC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977640 1012655243 /nfs/dbraw/zinc/65/52/43/1012655243.db2.gz FOLPHISDNCYYCF-SFTDATJTSA-N 1 3 373.541 2.551 20 0 FFADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC(N(CC)[C@H]3CCOC3)CC2)C1 ZINC001173658914 1012844815 /nfs/dbraw/zinc/84/48/15/1012844815.db2.gz SKJONIMZDUKHJE-QRQLOZEOSA-N 1 3 352.519 2.684 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(F)cc3Cl)CC2)C1=O ZINC001275691125 1012867555 /nfs/dbraw/zinc/86/75/55/1012867555.db2.gz QHBFPOMSTBHJAK-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO c1nnn([C@@H]2CCC[C@@H]([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)C2)n1 ZINC001173768033 1012960087 /nfs/dbraw/zinc/96/00/87/1012960087.db2.gz IEMUQOQSXNNKKJ-UWHLTILDSA-N 1 3 366.513 2.611 20 0 FFADHO c1nnn([C@@H]2CCC[C@@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)C2)n1 ZINC001173768033 1012960096 /nfs/dbraw/zinc/96/00/96/1012960096.db2.gz IEMUQOQSXNNKKJ-UWHLTILDSA-N 1 3 366.513 2.611 20 0 FFADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001275770383 1012984027 /nfs/dbraw/zinc/98/40/27/1012984027.db2.gz IGUPWMCIAUNQJR-RXVVDRJESA-N 1 3 367.578 2.582 20 0 FFADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001275770383 1012984047 /nfs/dbraw/zinc/98/40/47/1012984047.db2.gz IGUPWMCIAUNQJR-RXVVDRJESA-N 1 3 367.578 2.582 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001222041974 1032692458 /nfs/dbraw/zinc/69/24/58/1032692458.db2.gz PFGHBTTVIDWIAH-NHCUHLMSSA-N 1 3 355.526 2.904 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000924724061 1017449390 /nfs/dbraw/zinc/44/93/90/1017449390.db2.gz WNJNSHGRFOLBDP-FCHUYYIVSA-N 1 3 357.542 2.729 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451229 1017590340 /nfs/dbraw/zinc/59/03/40/1017590340.db2.gz TXHAZGBATFGXDH-NJYVYQBISA-N 1 3 373.541 2.900 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451229 1017590354 /nfs/dbraw/zinc/59/03/54/1017590354.db2.gz TXHAZGBATFGXDH-NJYVYQBISA-N 1 3 373.541 2.900 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925436926 1017740544 /nfs/dbraw/zinc/74/05/44/1017740544.db2.gz ILDCTGYUZANJRZ-FGTMMUONSA-N 1 3 357.502 2.807 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)ncn1 ZINC000925619779 1017800232 /nfs/dbraw/zinc/80/02/32/1017800232.db2.gz AXJKBYZXGAOYRN-ZCNNSNEGSA-N 1 3 357.546 2.766 20 0 FFADHO CCc1cc(N2CCC[C@H]([NH2+][C@H]3CCNC[C@@H]3C3CCCC3)C2)ncn1 ZINC000925619779 1017800246 /nfs/dbraw/zinc/80/02/46/1017800246.db2.gz AXJKBYZXGAOYRN-ZCNNSNEGSA-N 1 3 357.546 2.766 20 0 FFADHO C[C@@H]1[C@@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCCN1Cc1ccccc1 ZINC000925801250 1017852418 /nfs/dbraw/zinc/85/24/18/1017852418.db2.gz XJOHHGMNEJRVHQ-GIVPXCGWSA-N 1 3 357.542 2.788 20 0 FFADHO COc1ncc([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cc1Cl ZINC000925817209 1017861572 /nfs/dbraw/zinc/86/15/72/1017861572.db2.gz NOJWXYIDKDGXEA-OAHLLOKOSA-N 1 3 374.916 3.000 20 0 FFADHO Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cccc(C[NH+](C)C)c3)C2=O)n(C)n1 ZINC000925894323 1017884394 /nfs/dbraw/zinc/88/43/94/1017884394.db2.gz XGPREVZESFBTHD-QFBILLFUSA-N 1 3 369.513 2.636 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925916025 1017900387 /nfs/dbraw/zinc/90/03/87/1017900387.db2.gz SJCXSGZHCVEEIF-GOSISDBHSA-N 1 3 361.534 2.590 20 0 FFADHO COC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000388099191 1019566550 /nfs/dbraw/zinc/56/65/50/1019566550.db2.gz DNNXBEDYPBUSQK-FUHIMQAGSA-N 1 3 367.534 2.619 20 0 FFADHO COC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000388099191 1019566553 /nfs/dbraw/zinc/56/65/53/1019566553.db2.gz DNNXBEDYPBUSQK-FUHIMQAGSA-N 1 3 367.534 2.619 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4CCC5(COC5)O4)CC[C@H]32)cc1 ZINC000929849362 1019690313 /nfs/dbraw/zinc/69/03/13/1019690313.db2.gz XLVOPBKRSVUNIX-QHAWAJNXSA-N 1 3 356.510 2.921 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4CCC5(COC5)O4)CC[C@H]32)cc1 ZINC000929849362 1019690319 /nfs/dbraw/zinc/69/03/19/1019690319.db2.gz XLVOPBKRSVUNIX-QHAWAJNXSA-N 1 3 356.510 2.921 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1 ZINC001096345302 1020171161 /nfs/dbraw/zinc/17/11/61/1020171161.db2.gz LXZUEKQDOWEXII-PBASOCQRSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c1 ZINC001096345302 1020171165 /nfs/dbraw/zinc/17/11/65/1020171165.db2.gz LXZUEKQDOWEXII-PBASOCQRSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1 ZINC001096345300 1020171387 /nfs/dbraw/zinc/17/13/87/1020171387.db2.gz LXZUEKQDOWEXII-NRDMVMEKSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c1 ZINC001096345300 1020171390 /nfs/dbraw/zinc/17/13/90/1020171390.db2.gz LXZUEKQDOWEXII-NRDMVMEKSA-N 1 3 355.526 2.867 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC000902430752 1020195397 /nfs/dbraw/zinc/19/53/97/1020195397.db2.gz DNLPXFISQKAQOI-SNXQWQLTSA-N 1 3 370.484 2.738 20 0 FFADHO COC(=O)c1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(C)c1 ZINC000902809420 1020490701 /nfs/dbraw/zinc/49/07/01/1020490701.db2.gz SFZRHJRNIHFWJR-DLBZAZTESA-N 1 3 360.498 2.933 20 0 FFADHO CN(C)c1ncc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c2ccccc21 ZINC000931549504 1020510074 /nfs/dbraw/zinc/51/00/74/1020510074.db2.gz POPZEZIGRGZAME-UHFFFAOYSA-N 1 3 367.541 2.513 20 0 FFADHO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900623756 1020552704 /nfs/dbraw/zinc/55/27/04/1020552704.db2.gz LBWYIOOTWKYQOJ-UHFFFAOYSA-N 1 3 372.513 2.910 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001046330334 1020594128 /nfs/dbraw/zinc/59/41/28/1020594128.db2.gz ZZBVHQJOIBYHAD-FQELHTAISA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001046330334 1020594134 /nfs/dbraw/zinc/59/41/34/1020594134.db2.gz ZZBVHQJOIBYHAD-FQELHTAISA-N 1 3 354.498 2.589 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900959368 1020751142 /nfs/dbraw/zinc/75/11/42/1020751142.db2.gz XFDSMYWKKZOAFI-AZUAARDMSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900959368 1020751149 /nfs/dbraw/zinc/75/11/49/1020751149.db2.gz XFDSMYWKKZOAFI-AZUAARDMSA-N 1 3 357.498 2.599 20 0 FFADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCC(F)(F)F ZINC001116821081 1021436449 /nfs/dbraw/zinc/43/64/49/1021436449.db2.gz GIMBIMCYJKAQSI-MXASKKJJSA-N 1 3 369.431 2.839 20 0 FFADHO CC(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029596 1021630142 /nfs/dbraw/zinc/63/01/42/1021630142.db2.gz GOQNBWSZSHOGMQ-VDGAXYAQSA-N 1 3 353.526 2.826 20 0 FFADHO CC(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029596 1021630145 /nfs/dbraw/zinc/63/01/45/1021630145.db2.gz GOQNBWSZSHOGMQ-VDGAXYAQSA-N 1 3 353.526 2.826 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001117442762 1021699423 /nfs/dbraw/zinc/69/94/23/1021699423.db2.gz AQKZVHCGXCZGTO-RLLQIKCJSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC001117442762 1021699426 /nfs/dbraw/zinc/69/94/26/1021699426.db2.gz AQKZVHCGXCZGTO-RLLQIKCJSA-N 1 3 356.514 2.529 20 0 FFADHO CC[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]CC2)N1CCc2ccccc2C1 ZINC001118201248 1022116677 /nfs/dbraw/zinc/11/66/77/1022116677.db2.gz UFZZLNBSZQYVLA-JOCHJYFZSA-N 1 3 363.505 2.899 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCOC)C(C)C ZINC001111163964 1022164193 /nfs/dbraw/zinc/16/41/93/1022164193.db2.gz BUMWWJZNVUJQQE-AKHDSKFASA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)(C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1)N1CCCCC1 ZINC001099253009 1022168490 /nfs/dbraw/zinc/16/84/90/1022168490.db2.gz ZGTHIXGOUPFWEW-HUUCEWRRSA-N 1 3 361.452 2.640 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001099268481 1022194879 /nfs/dbraw/zinc/19/48/79/1022194879.db2.gz CCXYQOLIQOMQHF-BZUAXINKSA-N 1 3 361.452 2.806 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2cccnc21 ZINC001111228315 1022492143 /nfs/dbraw/zinc/49/21/43/1022492143.db2.gz FNFSQCXWSIOFQX-AQNXPRMDSA-N 1 3 366.509 2.798 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2cccnc21 ZINC001111228315 1022492147 /nfs/dbraw/zinc/49/21/47/1022492147.db2.gz FNFSQCXWSIOFQX-AQNXPRMDSA-N 1 3 366.509 2.798 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1)C1CC1 ZINC001099445697 1022539585 /nfs/dbraw/zinc/53/95/85/1022539585.db2.gz BZECRMPPYXZZCW-BJLQDIEVSA-N 1 3 361.555 2.807 20 0 FFADHO CCC1([NH3+])CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC001119375535 1022718504 /nfs/dbraw/zinc/71/85/04/1022718504.db2.gz RSPFZSKWWITQAL-UHFFFAOYSA-N 1 3 358.530 2.561 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C)C1 ZINC001119969338 1023187058 /nfs/dbraw/zinc/18/70/58/1023187058.db2.gz BFRRYYJMCXYOCJ-PZJWPPBQSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C)C1 ZINC001119969338 1023187067 /nfs/dbraw/zinc/18/70/67/1023187067.db2.gz BFRRYYJMCXYOCJ-PZJWPPBQSA-N 1 3 358.530 2.634 20 0 FFADHO c1ccc(CN2C[C@H]3CC[C@@H](C2)[C@H]3Oc2n[nH]c3c2CCC[NH2+]C3)cc1 ZINC001218341159 1033115619 /nfs/dbraw/zinc/11/56/19/1033115619.db2.gz IZBRRVMBULZNJW-YRWFTTLQSA-N 1 3 352.482 2.735 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@H]2C1 ZINC001218509724 1033190469 /nfs/dbraw/zinc/19/04/69/1033190469.db2.gz HVCLZNOXKQDAIG-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@H]2C1 ZINC001218509724 1033190474 /nfs/dbraw/zinc/19/04/74/1033190474.db2.gz HVCLZNOXKQDAIG-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCOCCC(C)C)C[C@@]2(C)C1 ZINC001101281922 1024313773 /nfs/dbraw/zinc/31/37/73/1024313773.db2.gz HWEPRIWVHGKWID-NQIIRXRSSA-N 1 3 367.578 2.560 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCOCCC(C)C)C[C@@]2(C)C1 ZINC001101281922 1024313787 /nfs/dbraw/zinc/31/37/87/1024313787.db2.gz HWEPRIWVHGKWID-NQIIRXRSSA-N 1 3 367.578 2.560 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cccc2c1OCCNC2 ZINC001122115608 1024351574 /nfs/dbraw/zinc/35/15/74/1024351574.db2.gz YNPPPFRMBBGSRN-UHFFFAOYSA-N 1 3 359.514 2.609 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047454 1025352757 /nfs/dbraw/zinc/35/27/57/1025352757.db2.gz HOPYBMQJEYPIAR-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047454 1025352763 /nfs/dbraw/zinc/35/27/63/1025352763.db2.gz HOPYBMQJEYPIAR-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047952 1025355155 /nfs/dbraw/zinc/35/51/55/1025355155.db2.gz ZPPWNQKEQDQVMJ-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047952 1025355167 /nfs/dbraw/zinc/35/51/67/1025355167.db2.gz ZPPWNQKEQDQVMJ-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047526 1025355206 /nfs/dbraw/zinc/35/52/06/1025355206.db2.gz KFWWTYLXXAEKFR-SUYBPPKGSA-N 1 3 369.962 2.926 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051616 1025362181 /nfs/dbraw/zinc/36/21/81/1025362181.db2.gz AOQLKCDRJCSWFH-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051616 1025362187 /nfs/dbraw/zinc/36/21/87/1025362187.db2.gz AOQLKCDRJCSWFH-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001102104180 1025429704 /nfs/dbraw/zinc/42/97/04/1025429704.db2.gz JHSWSBHHZRESJO-SJLPKXTDSA-N 1 3 361.530 2.610 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001102104180 1025429706 /nfs/dbraw/zinc/42/97/06/1025429706.db2.gz JHSWSBHHZRESJO-SJLPKXTDSA-N 1 3 361.530 2.610 20 0 FFADHO CC[C@@H](C)N1CCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000837005597 1025495947 /nfs/dbraw/zinc/49/59/47/1025495947.db2.gz QWPYSXUZEGJEMY-VEGGFIAOSA-N 1 3 359.514 2.583 20 0 FFADHO C[C@@H]1CN(Cc2cccnc2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102189093 1025556375 /nfs/dbraw/zinc/55/63/75/1025556375.db2.gz VWHGKOYAPBLJEV-IEBWSBKVSA-N 1 3 358.530 2.530 20 0 FFADHO Cc1cc(CN)oc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000638063352 1025686633 /nfs/dbraw/zinc/68/66/33/1025686633.db2.gz LXDPNZICNXAFOT-HZPDHXFCSA-N 1 3 371.481 2.586 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1C)[NH+](CC)CC ZINC001102357705 1025798929 /nfs/dbraw/zinc/79/89/29/1025798929.db2.gz GHLIGRVSDDXJDQ-OLMNPRSZSA-N 1 3 364.534 2.596 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102368116 1025817280 /nfs/dbraw/zinc/81/72/80/1025817280.db2.gz FHZZMYCRAPIPQC-JFIYKMOQSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102368116 1025817292 /nfs/dbraw/zinc/81/72/92/1025817292.db2.gz FHZZMYCRAPIPQC-JFIYKMOQSA-N 1 3 371.516 2.980 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102369802 1025826629 /nfs/dbraw/zinc/82/66/29/1025826629.db2.gz HLRROXFDISAAAG-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102369802 1025826647 /nfs/dbraw/zinc/82/66/47/1025826647.db2.gz HLRROXFDISAAAG-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638718308 1025946914 /nfs/dbraw/zinc/94/69/14/1025946914.db2.gz KRYDRXYOUKBKDI-WIYYLYMNSA-N 1 3 359.558 2.722 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638718306 1025946997 /nfs/dbraw/zinc/94/69/97/1025946997.db2.gz KRYDRXYOUKBKDI-RXVVDRJESA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428454 1025957143 /nfs/dbraw/zinc/95/71/43/1025957143.db2.gz DTMFAKTYERWPKY-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428454 1025957154 /nfs/dbraw/zinc/95/71/54/1025957154.db2.gz DTMFAKTYERWPKY-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428574 1025958345 /nfs/dbraw/zinc/95/83/45/1025958345.db2.gz JXLQPFGQAWHVJL-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428574 1025958354 /nfs/dbraw/zinc/95/83/54/1025958354.db2.gz JXLQPFGQAWHVJL-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639025425 1026137280 /nfs/dbraw/zinc/13/72/80/1026137280.db2.gz RTVGNJZVDJIQLM-NSHGMRRFSA-N 1 3 359.489 2.638 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC000639272451 1026261351 /nfs/dbraw/zinc/26/13/51/1026261351.db2.gz YTQHIZDAVAAXBI-SJBKTWHCSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC000639272451 1026261366 /nfs/dbraw/zinc/26/13/66/1026261366.db2.gz YTQHIZDAVAAXBI-SJBKTWHCSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(CN2CC[C@@H](O)[C@@H](CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639272451 1026261377 /nfs/dbraw/zinc/26/13/77/1026261377.db2.gz YTQHIZDAVAAXBI-SJBKTWHCSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(CN2CC[C@@H](O)[C@@H](CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639272451 1026261390 /nfs/dbraw/zinc/26/13/90/1026261390.db2.gz YTQHIZDAVAAXBI-SJBKTWHCSA-N 1 3 360.542 2.600 20 0 FFADHO CO[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)[C@H]1CCOC1 ZINC000639329892 1026280574 /nfs/dbraw/zinc/28/05/74/1026280574.db2.gz QEJOGAONSSLGER-PCCBWWKXSA-N 1 3 358.526 2.930 20 0 FFADHO c1ccc([C@H](CN2CC[C@@]3(CCOC3)C2)C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000639514226 1026341746 /nfs/dbraw/zinc/34/17/46/1026341746.db2.gz CVDKSGIJUWHDTM-WBDAEOGXSA-N 1 3 370.537 2.995 20 0 FFADHO c1ccc([C@H](CN2CC[C@@]3(CCOC3)C2)C[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000639514226 1026341759 /nfs/dbraw/zinc/34/17/59/1026341759.db2.gz CVDKSGIJUWHDTM-WBDAEOGXSA-N 1 3 370.537 2.995 20 0 FFADHO c1ccc([C@@H](CN2CC[C@]3(CCOC3)C2)C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000639514226 1026341769 /nfs/dbraw/zinc/34/17/69/1026341769.db2.gz CVDKSGIJUWHDTM-WBDAEOGXSA-N 1 3 370.537 2.995 20 0 FFADHO c1ccc([C@@H](CN2CC[C@]3(CCOC3)C2)C[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000639514226 1026341786 /nfs/dbraw/zinc/34/17/86/1026341786.db2.gz CVDKSGIJUWHDTM-WBDAEOGXSA-N 1 3 370.537 2.995 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)C[C@H]1C ZINC001103158078 1027012663 /nfs/dbraw/zinc/01/26/63/1027012663.db2.gz RKHAXQVZIJAFIB-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)C[C@H]1C ZINC001103158078 1027012669 /nfs/dbraw/zinc/01/26/69/1027012669.db2.gz RKHAXQVZIJAFIB-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)c1cccc(Cl)c1Cl ZINC001158576677 1027065202 /nfs/dbraw/zinc/06/52/02/1027065202.db2.gz CUTPABXEXSCOTR-SCDSUCTJSA-N 1 3 374.287 2.919 20 0 FFADHO CSc1cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc(SC)n1 ZINC001158591182 1027070834 /nfs/dbraw/zinc/07/08/34/1027070834.db2.gz OTDJLGWDHLQMCY-UHFFFAOYSA-N 1 3 367.588 2.573 20 0 FFADHO C[C@@H]1CN(Cc2cc(O)ccc2Cl)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398523 1027396942 /nfs/dbraw/zinc/39/69/42/1027396942.db2.gz WMNWCLJYGUJGTO-HUUCEWRRSA-N 1 3 367.921 2.572 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001103434210 1027475285 /nfs/dbraw/zinc/47/52/85/1027475285.db2.gz UIVGKRWGPUBZDP-ZHALLVOQSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001103434210 1027475292 /nfs/dbraw/zinc/47/52/92/1027475292.db2.gz UIVGKRWGPUBZDP-ZHALLVOQSA-N 1 3 361.505 2.884 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C ZINC001103550538 1027665233 /nfs/dbraw/zinc/66/52/33/1027665233.db2.gz VQTKOUFWBOESSF-CRAIPNDOSA-N 1 3 351.560 2.973 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1C ZINC001103550538 1027665241 /nfs/dbraw/zinc/66/52/41/1027665241.db2.gz VQTKOUFWBOESSF-CRAIPNDOSA-N 1 3 351.560 2.973 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H](N)CC3CCC3)C[C@H]21 ZINC001160424712 1027699969 /nfs/dbraw/zinc/69/99/69/1027699969.db2.gz ZCQVSEJVIZOJND-AYWYSENESA-N 1 3 370.541 2.658 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H](N)CC3CCC3)C[C@H]21 ZINC001160424712 1027699973 /nfs/dbraw/zinc/69/99/73/1027699973.db2.gz ZCQVSEJVIZOJND-AYWYSENESA-N 1 3 370.541 2.658 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001160507161 1027729073 /nfs/dbraw/zinc/72/90/73/1027729073.db2.gz VHGXWXOOJQTGIJ-ZBFHGGJFSA-N 1 3 374.312 2.567 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C ZINC001103663842 1027921311 /nfs/dbraw/zinc/92/13/11/1027921311.db2.gz XCUCUZNNAUWTRZ-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C ZINC001103663842 1027921329 /nfs/dbraw/zinc/92/13/29/1027921329.db2.gz XCUCUZNNAUWTRZ-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001103677090 1027958533 /nfs/dbraw/zinc/95/85/33/1027958533.db2.gz KHEUFJBOEQZWFF-YLJYHZDGSA-N 1 3 368.525 2.886 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001103677090 1027958547 /nfs/dbraw/zinc/95/85/47/1027958547.db2.gz KHEUFJBOEQZWFF-YLJYHZDGSA-N 1 3 368.525 2.886 20 0 FFADHO CCN1CCCN(C(=O)c2ccc(OCC[NH+](CC)CC)cc2)[C@H](C)C1 ZINC001161004126 1027969691 /nfs/dbraw/zinc/96/96/91/1027969691.db2.gz VAKDZNKORYRFQQ-GOSISDBHSA-N 1 3 361.530 2.964 20 0 FFADHO CC(C)(C)CN(C(=O)[C@]1(N)CCc2cc(F)ccc2C1)C1CC[NH2+]CC1 ZINC001161262043 1028102308 /nfs/dbraw/zinc/10/23/08/1028102308.db2.gz QDQWJWDVWUIRNI-NRFANRHFSA-N 1 3 361.505 2.639 20 0 FFADHO c1ccc2c(c1)cc(N1CCCC1)nc2NCc1nnn2c1C[NH2+]CCC2 ZINC001155399665 1028720856 /nfs/dbraw/zinc/72/08/56/1028720856.db2.gz DSKHTHMUQAQMNQ-UHFFFAOYSA-N 1 3 363.469 2.532 20 0 FFADHO CC[NH+](CC)CCNC(=N)NC(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001163126354 1028813922 /nfs/dbraw/zinc/81/39/22/1028813922.db2.gz RDXOOOMUIKTPOD-UHFFFAOYSA-N 1 3 358.824 2.721 20 0 FFADHO CN(C)C1(CNc2ccc(C(=O)Nc3ccccn3)cc2)CC[NH+](C)CC1 ZINC001164213610 1029204836 /nfs/dbraw/zinc/20/48/36/1029204836.db2.gz YTAHYZUSXYRPTC-UHFFFAOYSA-N 1 3 367.497 2.772 20 0 FFADHO CN(C)C1(CNc2c(Br)ccc3nccn32)CC[NH+](C)CC1 ZINC001164217264 1029207093 /nfs/dbraw/zinc/20/70/93/1029207093.db2.gz RXPSKYOVMVBFQC-UHFFFAOYSA-N 1 3 366.307 2.535 20 0 FFADHO CN(C)Cc1ccnc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c1 ZINC001157328301 1029555000 /nfs/dbraw/zinc/55/50/00/1029555000.db2.gz DWIZMBLADJFWBB-UHFFFAOYSA-N 1 3 362.481 2.977 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857944 1029628946 /nfs/dbraw/zinc/62/89/46/1029628946.db2.gz GQIVQHQECFCVGF-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO CC[NH+](CC)CCCC1CCN([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000782527797 1029733967 /nfs/dbraw/zinc/73/39/67/1029733967.db2.gz PZCXXOJCWZVCDQ-HXUWFJFHSA-N 1 3 365.562 2.600 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3cc4nc(Cl)cnc4cc3Cl)CC2)C1 ZINC001158258851 1029775571 /nfs/dbraw/zinc/77/55/71/1029775571.db2.gz KBJUEGIGSQXPAA-LLVKDONJSA-N 1 3 366.296 2.938 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3cc4nc(Cl)cnc4cc3Cl)CC2)C1 ZINC001158258851 1029775577 /nfs/dbraw/zinc/77/55/77/1029775577.db2.gz KBJUEGIGSQXPAA-LLVKDONJSA-N 1 3 366.296 2.938 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cc(OC)ccc2Cl)CC[N@@H+]1C ZINC001158404573 1029821262 /nfs/dbraw/zinc/82/12/62/1029821262.db2.gz WMXZXTSCCIEDEI-FUHWJXTLSA-N 1 3 367.921 2.675 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cc(OC)ccc2Cl)CC[N@H+]1C ZINC001158404573 1029821267 /nfs/dbraw/zinc/82/12/67/1029821267.db2.gz WMXZXTSCCIEDEI-FUHWJXTLSA-N 1 3 367.921 2.675 20 0 FFADHO Cc1nc(N2CCCC2)cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)n1 ZINC001165265761 1029921206 /nfs/dbraw/zinc/92/12/06/1029921206.db2.gz VZNPMRGLXQUBQB-MRXNPFEDSA-N 1 3 369.435 2.896 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC000841009086 1029973218 /nfs/dbraw/zinc/97/32/18/1029973218.db2.gz HGEXEQTXNDIYSR-NRSPTQNISA-N 1 3 373.541 2.552 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC000841009086 1029973229 /nfs/dbraw/zinc/97/32/29/1029973229.db2.gz HGEXEQTXNDIYSR-NRSPTQNISA-N 1 3 373.541 2.552 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114148 1030036918 /nfs/dbraw/zinc/03/69/18/1030036918.db2.gz BAXLOQWKUUNOMS-YNOVSXENSA-N 1 3 361.452 2.662 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001112198196 1030216373 /nfs/dbraw/zinc/21/63/73/1030216373.db2.gz HBKWALNRRQWUBQ-HUUCEWRRSA-N 1 3 363.468 2.743 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841819410 1030486233 /nfs/dbraw/zinc/48/62/33/1030486233.db2.gz CPNVUNBHQYILSE-IFMALSPDSA-N 1 3 370.541 2.999 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000841924839 1030544797 /nfs/dbraw/zinc/54/47/97/1030544797.db2.gz FJZYSPSCBSNAMJ-UHFFFAOYSA-N 1 3 358.530 2.595 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)cc1 ZINC000841932831 1030551518 /nfs/dbraw/zinc/55/15/18/1030551518.db2.gz YDHUTYAJUZBYOT-LJQANCHMSA-N 1 3 374.916 2.943 20 0 FFADHO Cc1cc2oc(=O)cc(CN3CC[C@H](N4CC[NH2+]CC4)C3)c2cc1C(C)C ZINC000842475760 1030751252 /nfs/dbraw/zinc/75/12/52/1030751252.db2.gz YCIYTZNGWRLRSI-SFHVURJKSA-N 1 3 369.509 2.704 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@H]2CCCO2)C1 ZINC001112436786 1030808629 /nfs/dbraw/zinc/80/86/29/1030808629.db2.gz FVKCLKVMTUOASI-UEXGIBASSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000843085268 1031177778 /nfs/dbraw/zinc/17/77/78/1031177778.db2.gz WFGOBXKMGCHCOI-YTFSRNRJSA-N 1 3 368.521 2.809 20 0 FFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000843085268 1031177784 /nfs/dbraw/zinc/17/77/84/1031177784.db2.gz WFGOBXKMGCHCOI-YTFSRNRJSA-N 1 3 368.521 2.809 20 0 FFADHO O=C(OCc1ccccc1)N1CCC(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000843126317 1031193315 /nfs/dbraw/zinc/19/33/15/1031193315.db2.gz JAZSXXDMZXRXFL-WOJBJXKFSA-N 1 3 357.498 2.719 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC(N3CC(F)(F)C3)CC2)cc1 ZINC001204270631 1031196186 /nfs/dbraw/zinc/19/61/86/1031196186.db2.gz WSHSORVDQYVRFF-UHFFFAOYSA-N 1 3 367.484 2.932 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3cc(C(C)(C)C)c[nH]3)CC2)C1=O ZINC001276456603 1031234740 /nfs/dbraw/zinc/23/47/40/1031234740.db2.gz XXCOKVSDTSLXNP-UHFFFAOYSA-N 1 3 360.546 2.688 20 0 FFADHO Cc1nc[nH]c1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204590689 1031383300 /nfs/dbraw/zinc/38/33/00/1031383300.db2.gz JWKITTRSVJKYTK-IBGZPJMESA-N 1 3 354.498 2.974 20 0 FFADHO Cc1nc[nH]c1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204590689 1031383311 /nfs/dbraw/zinc/38/33/11/1031383311.db2.gz JWKITTRSVJKYTK-IBGZPJMESA-N 1 3 354.498 2.974 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001205434992 1031743156 /nfs/dbraw/zinc/74/31/56/1031743156.db2.gz ZBJSTIWNGPYUKC-FFZOFVMBSA-N 1 3 361.505 2.994 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001205452365 1031757260 /nfs/dbraw/zinc/75/72/60/1031757260.db2.gz BVAZJMIAQIGVPY-AYOQOUSVSA-N 1 3 367.484 2.800 20 0 FFADHO O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218848403 1033373465 /nfs/dbraw/zinc/37/34/65/1033373465.db2.gz XQIVSVSRYCTWCL-OAHLLOKOSA-N 1 3 364.474 2.711 20 0 FFADHO COc1ccccc1Oc1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218858576 1033382413 /nfs/dbraw/zinc/38/24/13/1033382413.db2.gz ZVKGVAXNJUCTST-IBGZPJMESA-N 1 3 355.438 2.753 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@@H+]1C ZINC001223442807 1033447101 /nfs/dbraw/zinc/44/71/01/1033447101.db2.gz IJJVYTODEWMTLH-BRWVUGGUSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@H+]1C ZINC001223442807 1033447107 /nfs/dbraw/zinc/44/71/07/1033447107.db2.gz IJJVYTODEWMTLH-BRWVUGGUSA-N 1 3 364.559 2.913 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001219028032 1033476081 /nfs/dbraw/zinc/47/60/81/1033476081.db2.gz MMAUQBIIHKCMHA-JOCHJYFZSA-N 1 3 365.477 2.720 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224289040 1033831145 /nfs/dbraw/zinc/83/11/45/1033831145.db2.gz FOCPJCDAPKAGGU-QYZOEREBSA-N 1 3 353.526 2.923 20 0 FFADHO CCC[NH+]1CCC(NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001219954093 1033905380 /nfs/dbraw/zinc/90/53/80/1033905380.db2.gz CQOGXPHGNDDZAT-MRXNPFEDSA-N 1 3 357.420 2.566 20 0 FFADHO C[NH2+][C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001219998761 1033934465 /nfs/dbraw/zinc/93/44/65/1033934465.db2.gz AXWMTVWAFDKTQA-NHCUHLMSSA-N 1 3 351.494 2.770 20 0 FFADHO N[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1Cc2ccccc2C1 ZINC001219999596 1033934616 /nfs/dbraw/zinc/93/46/16/1033934616.db2.gz YCVYIZQWVBOGKN-VXKWHMMOSA-N 1 3 363.505 2.682 20 0 FFADHO CCCC[C@@H](CC)COCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220130784 1033994954 /nfs/dbraw/zinc/99/49/54/1033994954.db2.gz CGZNGYIXWADYMZ-QZTJIDSGSA-N 1 3 353.551 2.600 20 0 FFADHO CCCC[C@@H](CC)COCCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220130784 1033994961 /nfs/dbraw/zinc/99/49/61/1033994961.db2.gz CGZNGYIXWADYMZ-QZTJIDSGSA-N 1 3 353.551 2.600 20 0 FFADHO CCCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC001224846406 1034030229 /nfs/dbraw/zinc/03/02/29/1034030229.db2.gz UNLITQRNJDRMEL-KURKYZTESA-N 1 3 352.567 2.869 20 0 FFADHO CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001220335025 1034123851 /nfs/dbraw/zinc/12/38/51/1034123851.db2.gz GVQOMOOEEIDROX-QAPCUYQASA-N 1 3 351.922 2.707 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC001220501561 1034224751 /nfs/dbraw/zinc/22/47/51/1034224751.db2.gz QSSFVHKXICDCLF-RBUKOAKNSA-N 1 3 355.482 2.550 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCc1ccccc1C(F)(F)F ZINC001220594421 1034276537 /nfs/dbraw/zinc/27/65/37/1034276537.db2.gz CPLXSIVCTDAGCT-INIZCTEOSA-N 1 3 359.436 2.860 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)cc1 ZINC001220777569 1034393301 /nfs/dbraw/zinc/39/33/01/1034393301.db2.gz VTFXIARLDMNRBJ-WMQCIHAUSA-N 1 3 359.514 2.654 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CCN(C)C)C3=O)sn1 ZINC001277078695 1034432508 /nfs/dbraw/zinc/43/25/08/1034432508.db2.gz XEKMIXYHFABRRL-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CCN(C)C)C3=O)sn1 ZINC001277078695 1034432510 /nfs/dbraw/zinc/43/25/10/1034432510.db2.gz XEKMIXYHFABRRL-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO N[C@H](C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)C1CCCCC1 ZINC001220974487 1034484483 /nfs/dbraw/zinc/48/44/83/1034484483.db2.gz DJUUFQDHJLLIQS-IBGZPJMESA-N 1 3 361.505 2.762 20 0 FFADHO COc1ccccc1C1(NC(=O)[C@@H](N)CCCC[NH3+])CCC(F)(F)CC1 ZINC001221048765 1034526214 /nfs/dbraw/zinc/52/62/14/1034526214.db2.gz CQOSWLKETXSEJX-HNNXBMFYSA-N 1 3 369.456 2.672 20 0 FFADHO N[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1Cc2ccccc2C1 ZINC001221063207 1034533450 /nfs/dbraw/zinc/53/34/50/1034533450.db2.gz OZPBUZIXSAIDBI-VXKWHMMOSA-N 1 3 363.505 2.510 20 0 FFADHO N[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1Cc2ccccc2C1 ZINC001221063207 1034533458 /nfs/dbraw/zinc/53/34/58/1034533458.db2.gz OZPBUZIXSAIDBI-VXKWHMMOSA-N 1 3 363.505 2.510 20 0 FFADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226160781 1034551588 /nfs/dbraw/zinc/55/15/88/1034551588.db2.gz KXMCNDFHUWNUDS-GUDVDZBRSA-N 1 3 353.551 2.693 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)c(C)c1 ZINC001221127369 1034564932 /nfs/dbraw/zinc/56/49/32/1034564932.db2.gz CCDMNOLNYIKBQX-FQEVSTJZSA-N 1 3 357.542 2.849 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)cc1 ZINC001221165007 1034584581 /nfs/dbraw/zinc/58/45/81/1034584581.db2.gz CDXOAKCZQQVSRT-UYAOXDASSA-N 1 3 358.530 2.600 20 0 FFADHO CC(C)(CNC(=O)[C@@H](N)CCCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001221166658 1034584673 /nfs/dbraw/zinc/58/46/73/1034584673.db2.gz JVZOPCPMULOKJT-HNNXBMFYSA-N 1 3 359.436 2.847 20 0 FFADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1)OC ZINC001226275793 1034608193 /nfs/dbraw/zinc/60/81/93/1034608193.db2.gz QGAZPKDMKKGOAZ-KZNAEPCWSA-N 1 3 353.551 2.693 20 0 FFADHO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1F)C1CC1 ZINC001226799912 1034845238 /nfs/dbraw/zinc/84/52/38/1034845238.db2.gz GLESONOLJHIIGI-LMMKCTJWSA-N 1 3 365.468 2.822 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001226901852 1034879465 /nfs/dbraw/zinc/87/94/65/1034879465.db2.gz KGYSVXJVYJSNGJ-UXHICEINSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001226901852 1034879472 /nfs/dbraw/zinc/87/94/72/1034879472.db2.gz KGYSVXJVYJSNGJ-UXHICEINSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl)[NH+](C)C ZINC001226941838 1034889217 /nfs/dbraw/zinc/88/92/17/1034889217.db2.gz IOMZQMMMQAUJSZ-NFAWXSAZSA-N 1 3 350.334 2.909 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC001227150199 1034951450 /nfs/dbraw/zinc/95/14/50/1034951450.db2.gz MHQSQYVZZLHDJA-RTBURBONSA-N 1 3 367.578 2.941 20 0 FFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H]1CCn2ccnc21 ZINC001227159396 1034955080 /nfs/dbraw/zinc/95/50/80/1034955080.db2.gz FOVKGFBKOXKIFI-IBGZPJMESA-N 1 3 371.529 2.592 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772242 1035055719 /nfs/dbraw/zinc/05/57/19/1035055719.db2.gz QNXYTVSMUXZVDV-WOJBJXKFSA-N 1 3 355.526 2.624 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCCc4ccc(F)cc43)C[C@H]21 ZINC001221791642 1035073486 /nfs/dbraw/zinc/07/34/86/1035073486.db2.gz WFLKASJDNTYOSQ-NSISKUIASA-N 1 3 359.489 2.688 20 0 FFADHO C[C@@H](CCCNCc1ccc(F)cc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277194035 1035489996 /nfs/dbraw/zinc/48/99/96/1035489996.db2.gz SDTWQWQXAJTCDM-JJRVBVJISA-N 1 3 353.457 2.680 20 0 FFADHO C[C@@H](CCCNCc1ccc(F)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277194035 1035490000 /nfs/dbraw/zinc/49/00/00/1035490000.db2.gz SDTWQWQXAJTCDM-JJRVBVJISA-N 1 3 353.457 2.680 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703115 1035684542 /nfs/dbraw/zinc/68/45/42/1035684542.db2.gz BUZCJLPYKVZUNS-AQNXPRMDSA-N 1 3 365.562 2.695 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F)[C@H](C1CC1)N1CCCC1 ZINC001227704282 1035686116 /nfs/dbraw/zinc/68/61/16/1035686116.db2.gz WTFNFEYICFZAIU-OAGGEKHMSA-N 1 3 361.452 2.830 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)CC1 ZINC001228224812 1036000359 /nfs/dbraw/zinc/00/03/59/1036000359.db2.gz PJPJIGKMRWWJFU-QZTJIDSGSA-N 1 3 365.468 2.824 20 0 FFADHO COc1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1Cl ZINC001228376992 1036077039 /nfs/dbraw/zinc/07/70/39/1036077039.db2.gz JIKGHTFFCNLFNZ-HZPDHXFCSA-N 1 3 367.921 2.817 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001228646241 1036227975 /nfs/dbraw/zinc/22/79/75/1036227975.db2.gz BSOYDNQQOCFICQ-OAGGEKHMSA-N 1 3 352.910 2.592 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC(C)(C)C[NH+]3CCCC3)cc2)CC1 ZINC000836226118 1036325200 /nfs/dbraw/zinc/32/52/00/1036325200.db2.gz BKAQNGXHVGRVNW-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC001228932994 1036415629 /nfs/dbraw/zinc/41/56/29/1036415629.db2.gz XGQHGGBJJQIOLA-AQNXPRMDSA-N 1 3 365.562 2.835 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc(N)n1)CC2 ZINC001233370380 1036570558 /nfs/dbraw/zinc/57/05/58/1036570558.db2.gz YWIQHSORXOABDF-FQEVSTJZSA-N 1 3 366.509 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc(N)n1)CC2 ZINC001233370380 1036570565 /nfs/dbraw/zinc/57/05/65/1036570565.db2.gz YWIQHSORXOABDF-FQEVSTJZSA-N 1 3 366.509 2.919 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC001229503125 1036709544 /nfs/dbraw/zinc/70/95/44/1036709544.db2.gz FPNOEIYTEYQGJS-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC001229503125 1036709561 /nfs/dbraw/zinc/70/95/61/1036709561.db2.gz FPNOEIYTEYQGJS-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)c1ccccc1 ZINC001229868970 1036946940 /nfs/dbraw/zinc/94/69/40/1036946940.db2.gz RVSPLPRFCYNBAH-AQNXPRMDSA-N 1 3 361.530 2.733 20 0 FFADHO C[C@@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266456 1037186028 /nfs/dbraw/zinc/18/60/28/1037186028.db2.gz IQCGQIAYULBUPY-NSISKUIASA-N 1 3 361.530 2.540 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001230279713 1037190989 /nfs/dbraw/zinc/19/09/89/1037190989.db2.gz FVUAHVSVDNSNEC-QZTJIDSGSA-N 1 3 353.457 2.822 20 0 FFADHO CN(Cc1ccco1)[C@@H]1CN(CC(C)(C)C[NH+](C)C)C[C@@H]2CCCO[C@H]12 ZINC001207279128 1037306649 /nfs/dbraw/zinc/30/66/49/1037306649.db2.gz BZCZMTAFKWXEEA-SXLOBPIMSA-N 1 3 363.546 2.779 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001207279128 1037306663 /nfs/dbraw/zinc/30/66/63/1037306663.db2.gz BZCZMTAFKWXEEA-SXLOBPIMSA-N 1 3 363.546 2.779 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001207279128 1037306677 /nfs/dbraw/zinc/30/66/77/1037306677.db2.gz BZCZMTAFKWXEEA-SXLOBPIMSA-N 1 3 363.546 2.779 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1c(F)ccc(C)c1Cl)C2 ZINC001235337699 1037487868 /nfs/dbraw/zinc/48/78/68/1037487868.db2.gz OMLOCPONUZLTIE-IZSNYMMISA-N 1 3 366.864 2.618 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365755 1037508109 /nfs/dbraw/zinc/50/81/09/1037508109.db2.gz PESGWIDIUUZHQA-VBSBHUPXSA-N 1 3 363.496 2.730 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365755 1037508114 /nfs/dbraw/zinc/50/81/14/1037508114.db2.gz PESGWIDIUUZHQA-VBSBHUPXSA-N 1 3 363.496 2.730 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1C)N(C)C ZINC001207641510 1037629175 /nfs/dbraw/zinc/62/91/75/1037629175.db2.gz QLOYDNFPUVYDLX-BSIFCXSSSA-N 1 3 368.525 2.758 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C)N(C)C ZINC001207641510 1037629179 /nfs/dbraw/zinc/62/91/79/1037629179.db2.gz QLOYDNFPUVYDLX-BSIFCXSSSA-N 1 3 368.525 2.758 20 0 FFADHO CN1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H]1c1ccccc1 ZINC001235672966 1037675423 /nfs/dbraw/zinc/67/54/23/1037675423.db2.gz JXJACDAUZFSDTD-JOCHJYFZSA-N 1 3 350.510 2.585 20 0 FFADHO CN1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@H]1c1ccccc1 ZINC001235675500 1037676983 /nfs/dbraw/zinc/67/69/83/1037676983.db2.gz YLCQAULEQCNDEV-QHCPKHFHSA-N 1 3 364.537 2.581 20 0 FFADHO Brc1cccc([C@H]2CN(CC[C@H]3CCC[NH2+]C3)CCN2)c1 ZINC001235796622 1037750777 /nfs/dbraw/zinc/75/07/77/1037750777.db2.gz TWUXIYBBFHWVMK-RHSMWYFYSA-N 1 3 352.320 2.785 20 0 FFADHO [NH3+]CCCCN1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 ZINC001235834095 1037776579 /nfs/dbraw/zinc/77/65/79/1037776579.db2.gz LBTJVAPSOJKCBM-UHFFFAOYSA-N 1 3 367.287 2.988 20 0 FFADHO CN(CCC(=O)c1ccccc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235839247 1037784511 /nfs/dbraw/zinc/78/45/11/1037784511.db2.gz PCBUSFFDCMMHFA-UHFFFAOYSA-N 1 3 351.494 2.797 20 0 FFADHO CSc1ccccc1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001231783211 1037903532 /nfs/dbraw/zinc/90/35/32/1037903532.db2.gz NSJLORAANXGKMV-UHFFFAOYSA-N 1 3 371.550 2.733 20 0 FFADHO CSc1ccccc1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001231783211 1037903541 /nfs/dbraw/zinc/90/35/41/1037903541.db2.gz NSJLORAANXGKMV-UHFFFAOYSA-N 1 3 371.550 2.733 20 0 FFADHO COc1ccc(-c2ccccc2)cc1CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236074315 1037917987 /nfs/dbraw/zinc/91/79/87/1037917987.db2.gz XORJQFQFCLFCDI-OAQYLSRUSA-N 1 3 351.494 2.970 20 0 FFADHO CCOCCN(CCCc1ccc(C(=O)OCC)cc1)C1CC[NH2+]CC1 ZINC001236459624 1038097952 /nfs/dbraw/zinc/09/79/52/1038097952.db2.gz BBXSTGGFAYMAMB-UHFFFAOYSA-N 1 3 362.514 2.886 20 0 FFADHO CCOCC[N@H+](CCCc1ccc(C(=O)OCC)cc1)C1CCNCC1 ZINC001236459624 1038097970 /nfs/dbraw/zinc/09/79/70/1038097970.db2.gz BBXSTGGFAYMAMB-UHFFFAOYSA-N 1 3 362.514 2.886 20 0 FFADHO CCOCC[N@@H+](CCCc1ccc(C(=O)OCC)cc1)C1CCNCC1 ZINC001236459624 1038097987 /nfs/dbraw/zinc/09/79/87/1038097987.db2.gz BBXSTGGFAYMAMB-UHFFFAOYSA-N 1 3 362.514 2.886 20 0 FFADHO CN(C)CC1(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)CCCC1 ZINC001208185933 1038120212 /nfs/dbraw/zinc/12/02/12/1038120212.db2.gz DTKMBTWMUNPIOL-UHFFFAOYSA-N 1 3 373.589 2.973 20 0 FFADHO COc1cccc(O[C@@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC001236535446 1038121999 /nfs/dbraw/zinc/12/19/99/1038121999.db2.gz IAWMHXZLSXNABI-OAHLLOKOSA-N 1 3 359.495 2.841 20 0 FFADHO Cc1nc(CN2CCC3(CN(C4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C3)C2)cs1 ZINC001255679079 1038124047 /nfs/dbraw/zinc/12/40/47/1038124047.db2.gz QUQPGDZZOKQPJS-DFNIBXOVSA-N 1 3 360.571 2.975 20 0 FFADHO Cc1nc(CN2CCC3(CN(C4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C3)C2)cs1 ZINC001255679079 1038124052 /nfs/dbraw/zinc/12/40/52/1038124052.db2.gz QUQPGDZZOKQPJS-DFNIBXOVSA-N 1 3 360.571 2.975 20 0 FFADHO Cc1cccnc1O[C@@H]1CCCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001236537609 1038125000 /nfs/dbraw/zinc/12/50/00/1038125000.db2.gz YTYVOYIKZVEIBQ-HXUWFJFHSA-N 1 3 366.509 2.843 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](C)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255941884 1038266216 /nfs/dbraw/zinc/26/62/16/1038266216.db2.gz YVPJDUDVDMPKNN-MSOLQXFVSA-N 1 3 370.582 2.638 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255959224 1038274965 /nfs/dbraw/zinc/27/49/65/1038274965.db2.gz JMNCIRDRFBUXOT-LVCYWYKZSA-N 1 3 358.530 2.877 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255959224 1038274983 /nfs/dbraw/zinc/27/49/83/1038274983.db2.gz JMNCIRDRFBUXOT-LVCYWYKZSA-N 1 3 358.530 2.877 20 0 FFADHO O=C(N1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1)C(F)(F)F ZINC001255986237 1038292062 /nfs/dbraw/zinc/29/20/62/1038292062.db2.gz VBFWFWQDFGPOGH-OAHLLOKOSA-N 1 3 361.452 2.880 20 0 FFADHO O=C(N1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1)C(F)(F)F ZINC001255986237 1038292067 /nfs/dbraw/zinc/29/20/67/1038292067.db2.gz VBFWFWQDFGPOGH-OAHLLOKOSA-N 1 3 361.452 2.880 20 0 FFADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435004 1038313382 /nfs/dbraw/zinc/31/33/82/1038313382.db2.gz NQQGIYQWQBWWIL-ZMYBRWDISA-N 1 3 359.489 2.591 20 0 FFADHO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001256037376 1038332117 /nfs/dbraw/zinc/33/21/17/1038332117.db2.gz FEECYEJSNJOMCZ-PZJWPPBQSA-N 1 3 357.498 2.815 20 0 FFADHO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001256037376 1038332126 /nfs/dbraw/zinc/33/21/26/1038332126.db2.gz FEECYEJSNJOMCZ-PZJWPPBQSA-N 1 3 357.498 2.815 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)CC1 ZINC001208596263 1038435015 /nfs/dbraw/zinc/43/50/15/1038435015.db2.gz IEGIPJUDPSEMTF-PCCBWWKXSA-N 1 3 359.514 2.562 20 0 FFADHO CC[NH+]1CCC(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001208598389 1038436516 /nfs/dbraw/zinc/43/65/16/1038436516.db2.gz AEPRSPRCFVFEPE-CTNGQTDRSA-N 1 3 361.505 2.695 20 0 FFADHO CN1CCC[C@@H](C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C1 ZINC001208605749 1038440187 /nfs/dbraw/zinc/44/01/87/1038440187.db2.gz BDNHRQICRFLMIZ-SVFBPWRDSA-N 1 3 359.514 2.673 20 0 FFADHO CN1CCC[C@@H](C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C1 ZINC001208605749 1038440190 /nfs/dbraw/zinc/44/01/90/1038440190.db2.gz BDNHRQICRFLMIZ-SVFBPWRDSA-N 1 3 359.514 2.673 20 0 FFADHO CC[NH+]1CCC(CN2CCN(c3ccccc3OCCOC)CC2)CC1 ZINC001208603287 1038441099 /nfs/dbraw/zinc/44/10/99/1038441099.db2.gz ACVVIOPDEXIXCR-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CN1CCC[C@@H](C[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001208611958 1038448028 /nfs/dbraw/zinc/44/80/28/1038448028.db2.gz YTAKLKMOVWTSLM-OAHLLOKOSA-N 1 3 352.320 2.913 20 0 FFADHO C(C[NH+]1CCCC1)OCc1nnn2c1CN(CCC1CCCC1)CCC2 ZINC001208693631 1038488749 /nfs/dbraw/zinc/48/87/49/1038488749.db2.gz NDNKVIRIGCTOEN-UHFFFAOYSA-N 1 3 361.534 2.677 20 0 FFADHO C[NH+](C)CCN1CCN(CCCc2cccc(Br)c2)CC1 ZINC001208820625 1038541711 /nfs/dbraw/zinc/54/17/11/1038541711.db2.gz PRMVGGIDXWFRLX-UHFFFAOYSA-N 1 3 354.336 2.561 20 0 FFADHO CN1C[C@]2(CC1=O)CCCCN2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937769 1038594009 /nfs/dbraw/zinc/59/40/09/1038594009.db2.gz TXXBITYGVZLGQU-RBBKRZOGSA-N 1 3 355.526 2.985 20 0 FFADHO CN1C[C@]2(CC1=O)CCCCN2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937769 1038594016 /nfs/dbraw/zinc/59/40/16/1038594016.db2.gz TXXBITYGVZLGQU-RBBKRZOGSA-N 1 3 355.526 2.985 20 0 FFADHO FC(F)(F)c1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cn1 ZINC001256677108 1038598565 /nfs/dbraw/zinc/59/85/65/1038598565.db2.gz KTNOBSFSRKNDDH-UHFFFAOYSA-N 1 3 357.420 2.876 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256685353 1038601642 /nfs/dbraw/zinc/60/16/42/1038601642.db2.gz CFPYSXPEYJSKCC-POSCCBCBSA-N 1 3 352.519 2.589 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686140 1038603008 /nfs/dbraw/zinc/60/30/08/1038603008.db2.gz JLDGUKLPSLTVFP-OFVLBHHSSA-N 1 3 358.530 2.801 20 0 FFADHO CC(=O)N1CCC[C@@H](C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)C1 ZINC001208956678 1038606342 /nfs/dbraw/zinc/60/63/42/1038606342.db2.gz HCTKYMOOHICDST-IBGZPJMESA-N 1 3 359.514 2.826 20 0 FFADHO CCn1ncc2c1[C@@H](COC)CN(C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256860047 1038637606 /nfs/dbraw/zinc/63/76/06/1038637606.db2.gz WOAXCUPNVJLRBL-QGZVFWFLSA-N 1 3 355.486 2.513 20 0 FFADHO CCCCOC(=O)CC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257381851 1038777720 /nfs/dbraw/zinc/77/77/20/1038777720.db2.gz WGFYJKPGANBDEJ-KRWDZBQOSA-N 1 3 354.535 2.979 20 0 FFADHO CCCCOC(=O)CC[C@H](C)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001257381851 1038777730 /nfs/dbraw/zinc/77/77/30/1038777730.db2.gz WGFYJKPGANBDEJ-KRWDZBQOSA-N 1 3 354.535 2.979 20 0 FFADHO CCOC(=O)C1CCC(O)(C[NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001251073746 1038927709 /nfs/dbraw/zinc/92/77/09/1038927709.db2.gz NLXCDSVPGCXMMW-UHFFFAOYSA-N 1 3 366.546 2.715 20 0 FFADHO CCOC(=O)C1CCC(O)(CNC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001251073746 1038927712 /nfs/dbraw/zinc/92/77/12/1038927712.db2.gz NLXCDSVPGCXMMW-UHFFFAOYSA-N 1 3 366.546 2.715 20 0 FFADHO O[C@@H](CN[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)COCc1c(Cl)cccc1Cl ZINC001245985587 1039177175 /nfs/dbraw/zinc/17/71/75/1039177175.db2.gz RNLPEUQKWALPDA-COJSNBRMSA-N 1 3 373.324 2.849 20 0 FFADHO CCCOc1ccc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001245988925 1039178714 /nfs/dbraw/zinc/17/87/14/1039178714.db2.gz QZRITHRGOBAWSB-VQTJNVASSA-N 1 3 364.436 2.774 20 0 FFADHO CCC[NH+](CCC)CCN1CCN([C@@H](C)CCCC(=O)OCC)CC1 ZINC001258125851 1039200768 /nfs/dbraw/zinc/20/07/68/1039200768.db2.gz RMABUONMATXOKS-IBGZPJMESA-N 1 3 355.567 2.848 20 0 FFADHO O[C@@]1(C[NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCCNC1 ZINC001246226322 1039283720 /nfs/dbraw/zinc/28/37/20/1039283720.db2.gz FYTYMOIJSVQCAZ-GMAHTHKFSA-N 1 3 366.505 2.827 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2C[C@@H](C)CC[C@H]2C[NH3+])CC1 ZINC001246557993 1039394895 /nfs/dbraw/zinc/39/48/95/1039394895.db2.gz NIJLYSBEXOXJLP-WMZOPIPTSA-N 1 3 361.530 2.727 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CSc4ccccc4C3)C[C@@H]1CNCCC2 ZINC001246600891 1039410605 /nfs/dbraw/zinc/41/06/05/1039410605.db2.gz FCCMGKQIGIUYAH-ZWOKBUDYSA-N 1 3 360.523 2.568 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CSc4ccccc4C3)C[C@@H]1CNCCC2 ZINC001246600891 1039410611 /nfs/dbraw/zinc/41/06/11/1039410611.db2.gz FCCMGKQIGIUYAH-ZWOKBUDYSA-N 1 3 360.523 2.568 20 0 FFADHO O=C1NCC[C@@]12C[N@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC21CNC1 ZINC001246627547 1039419933 /nfs/dbraw/zinc/41/99/33/1039419933.db2.gz MZFMFDVSLQMLEU-QYGXFBIXSA-N 1 3 373.928 2.778 20 0 FFADHO O=C1NCC[C@@]12C[N@@H+](C1CCC(c3ccc(Cl)cc3)CC1)CC21CNC1 ZINC001246627547 1039419939 /nfs/dbraw/zinc/41/99/39/1039419939.db2.gz MZFMFDVSLQMLEU-QYGXFBIXSA-N 1 3 373.928 2.778 20 0 FFADHO Brc1cccc2c1C[C@H](N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CC2 ZINC001246630170 1039422893 /nfs/dbraw/zinc/42/28/93/1039422893.db2.gz IIPMZXOFRBHONW-IIDMSEBBSA-N 1 3 365.315 2.617 20 0 FFADHO c1ccc(COC[C@]23CCCO[C@H]2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)nc1 ZINC001246771613 1039474426 /nfs/dbraw/zinc/47/44/26/1039474426.db2.gz WYMWNCDCPCJMKU-JGRHNOTBSA-N 1 3 371.525 2.752 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@H+](C)[C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246781968 1039479032 /nfs/dbraw/zinc/47/90/32/1039479032.db2.gz ZGGMXGCSOQTFJT-FUHWJXTLSA-N 1 3 361.530 2.741 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@@H+](C)[C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246781968 1039479034 /nfs/dbraw/zinc/47/90/34/1039479034.db2.gz ZGGMXGCSOQTFJT-FUHWJXTLSA-N 1 3 361.530 2.741 20 0 FFADHO c1ccc2cc(CN3CCN([C@H]4CSC5(C[NH2+]C5)C4)CC3)ccc2c1 ZINC001246876246 1039514751 /nfs/dbraw/zinc/51/47/51/1039514751.db2.gz RGPUXXPVBGJEOM-HXUWFJFHSA-N 1 3 353.535 2.805 20 0 FFADHO C[C@@H](Cc1ccccc1Br)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001246887297 1039519627 /nfs/dbraw/zinc/51/96/27/1039519627.db2.gz OGQOQONKFDZQJA-HNNXBMFYSA-N 1 3 366.347 2.750 20 0 FFADHO CCC[C@@H]1C[NH2+]CCN1C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001246923314 1039534744 /nfs/dbraw/zinc/53/47/44/1039534744.db2.gz KJTLWQYZWJCTFW-GOSISDBHSA-N 1 3 361.530 2.742 20 0 FFADHO COc1ccc(O[C@@H](C)CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252943123 1039836115 /nfs/dbraw/zinc/83/61/15/1039836115.db2.gz FDHRGCCUJVXROU-AVRDEDQJSA-N 1 3 370.493 2.689 20 0 FFADHO COc1ccc(O[C@@H](C)CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252943123 1039836131 /nfs/dbraw/zinc/83/61/31/1039836131.db2.gz FDHRGCCUJVXROU-AVRDEDQJSA-N 1 3 370.493 2.689 20 0 FFADHO Cc1cc(O)cc(C)c1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001278697514 1039980148 /nfs/dbraw/zinc/98/01/48/1039980148.db2.gz OFTDKRKCIQYGOJ-UHFFFAOYSA-N 1 3 354.498 2.804 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001253182698 1040027719 /nfs/dbraw/zinc/02/77/19/1040027719.db2.gz SNIAKUZZNOBWSS-FXAWDEMLSA-N 1 3 369.550 2.555 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001253182698 1040027736 /nfs/dbraw/zinc/02/77/36/1040027736.db2.gz SNIAKUZZNOBWSS-FXAWDEMLSA-N 1 3 369.550 2.555 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)N1CCc2ccccc2C1 ZINC001211267757 1040053590 /nfs/dbraw/zinc/05/35/90/1040053590.db2.gz FSSFRSLCYIPFRN-NJDAHSKKSA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)N1CCc2ccccc2C1 ZINC001211267757 1040053608 /nfs/dbraw/zinc/05/36/08/1040053608.db2.gz FSSFRSLCYIPFRN-NJDAHSKKSA-N 1 3 370.541 2.701 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC001253408864 1040158590 /nfs/dbraw/zinc/15/85/90/1040158590.db2.gz JZMBWBWXPNVYET-KRWDZBQOSA-N 1 3 371.928 2.782 20 0 FFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC001253847812 1040411472 /nfs/dbraw/zinc/41/14/72/1040411472.db2.gz SXNOVYDFUGJWDQ-OAQYLSRUSA-N 1 3 369.509 2.632 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2cccc(OC)c2)CC1 ZINC001253960106 1040475075 /nfs/dbraw/zinc/47/50/75/1040475075.db2.gz FDKXIBOYSQKYOJ-SFHVURJKSA-N 1 3 350.503 2.631 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2cccc(OC)c2)CC1 ZINC001253960106 1040475079 /nfs/dbraw/zinc/47/50/79/1040475079.db2.gz FDKXIBOYSQKYOJ-SFHVURJKSA-N 1 3 350.503 2.631 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C(C)C)C[C@@H]1C ZINC001254030311 1040532184 /nfs/dbraw/zinc/53/21/84/1040532184.db2.gz MELUXXXCGBVHGK-IPMKNSEASA-N 1 3 364.530 2.922 20 0 FFADHO OC1(C[NH+]2CCC(n3cccn3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254039482 1040540117 /nfs/dbraw/zinc/54/01/17/1040540117.db2.gz IDAGFXLWFHOZFA-UHFFFAOYSA-N 1 3 354.498 2.547 20 0 FFADHO CN(C)C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001254048403 1040548414 /nfs/dbraw/zinc/54/84/14/1040548414.db2.gz MFEAYVYAJOOZRM-QFIPXVFZSA-N 1 3 367.537 2.906 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001254389734 1040694195 /nfs/dbraw/zinc/69/41/95/1040694195.db2.gz CIORCAQTFLZIDA-RTBURBONSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCN(C)C1 ZINC001254389734 1040694200 /nfs/dbraw/zinc/69/42/00/1040694200.db2.gz CIORCAQTFLZIDA-RTBURBONSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001254389731 1040694721 /nfs/dbraw/zinc/69/47/21/1040694721.db2.gz CIORCAQTFLZIDA-OALUTQOASA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001254389731 1040694726 /nfs/dbraw/zinc/69/47/26/1040694726.db2.gz CIORCAQTFLZIDA-OALUTQOASA-N 1 3 350.551 2.909 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CC2CC(C)(C)C2)C[C@H]1OC)C(C)C ZINC001213593025 1040700696 /nfs/dbraw/zinc/70/06/96/1040700696.db2.gz KOXVGWRGWOHYIE-QRVBRYPASA-N 1 3 367.578 2.604 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254518575 1040766534 /nfs/dbraw/zinc/76/65/34/1040766534.db2.gz OFMSWNYLDDBQSW-RTBURBONSA-N 1 3 361.530 2.819 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254518575 1040766551 /nfs/dbraw/zinc/76/65/51/1040766551.db2.gz OFMSWNYLDDBQSW-RTBURBONSA-N 1 3 361.530 2.819 20 0 FFADHO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc2c(c1)CN(C)CC2 ZINC001213904405 1041059230 /nfs/dbraw/zinc/05/92/30/1041059230.db2.gz STFVTKVGNUIDDC-UHFFFAOYSA-N 1 3 352.482 2.836 20 0 FFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1CCOCC1)CC2 ZINC001255040056 1041117501 /nfs/dbraw/zinc/11/75/01/1041117501.db2.gz HCJPOLTVWNIFTA-KRWDZBQOSA-N 1 3 350.528 2.982 20 0 FFADHO c1ccc(CN2CC[C@H]([N@@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001255111208 1041147505 /nfs/dbraw/zinc/14/75/05/1041147505.db2.gz PRPAUFKYQFNILA-QFIPXVFZSA-N 1 3 350.510 2.864 20 0 FFADHO c1ccc(CN2CC[C@H]([N@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001255111208 1041147512 /nfs/dbraw/zinc/14/75/12/1041147512.db2.gz PRPAUFKYQFNILA-QFIPXVFZSA-N 1 3 350.510 2.864 20 0 FFADHO C[NH2+][C@@H](C)CCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001261372083 1041193351 /nfs/dbraw/zinc/19/33/51/1041193351.db2.gz LDUGTGQCUGDSSF-ZDUSSCGKSA-N 1 3 368.909 2.933 20 0 FFADHO CCOC(=O)C1CCC([NH+]2CCC(N(CC)[C@@H]3CCOC3)CC2)CC1 ZINC001255265185 1041244274 /nfs/dbraw/zinc/24/42/74/1041244274.db2.gz LFBYGGIELVBDKT-FAFZWHIHSA-N 1 3 352.519 2.684 20 0 FFADHO C(OC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCSC1)C2)C1CC1 ZINC001255283483 1041250504 /nfs/dbraw/zinc/25/05/04/1041250504.db2.gz FDUAEDSTWXUJRX-XUVXKRRUSA-N 1 3 350.572 2.952 20 0 FFADHO C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCSC1)C2)C1CC1 ZINC001255283483 1041250514 /nfs/dbraw/zinc/25/05/14/1041250514.db2.gz FDUAEDSTWXUJRX-XUVXKRRUSA-N 1 3 350.572 2.952 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)C1 ZINC001255340023 1041276732 /nfs/dbraw/zinc/27/67/32/1041276732.db2.gz XAYCICIITQJSEB-WIYYLYMNSA-N 1 3 373.541 2.646 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001214755138 1041563305 /nfs/dbraw/zinc/56/33/05/1041563305.db2.gz STLQHDSHWFEBJY-KBRIMQKVSA-N 1 3 355.523 2.673 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001214757742 1041564576 /nfs/dbraw/zinc/56/45/76/1041564576.db2.gz VEXAOMMVQQNIMJ-JEBQAFNWSA-N 1 3 371.447 2.581 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC001214847371 1041591471 /nfs/dbraw/zinc/59/14/71/1041591471.db2.gz CORFMQFTKRNIBG-VQIMIIECSA-N 1 3 361.505 2.679 20 0 FFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001214847667 1041592755 /nfs/dbraw/zinc/59/27/55/1041592755.db2.gz NFTTZCWMUOLPDC-UYAOXDASSA-N 1 3 357.542 2.848 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215036128 1041651696 /nfs/dbraw/zinc/65/16/96/1041651696.db2.gz OPPQZECFOMFSCI-KFWWJZLASA-N 1 3 362.345 2.862 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001215036128 1041651700 /nfs/dbraw/zinc/65/17/00/1041651700.db2.gz OPPQZECFOMFSCI-KFWWJZLASA-N 1 3 362.345 2.862 20 0 FFADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCc1ccns1 ZINC001215228309 1041708034 /nfs/dbraw/zinc/70/80/34/1041708034.db2.gz JKOFYIWVZYQWEC-CRAIPNDOSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCc1ccns1 ZINC001215228309 1041708042 /nfs/dbraw/zinc/70/80/42/1041708042.db2.gz JKOFYIWVZYQWEC-CRAIPNDOSA-N 1 3 364.559 2.734 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC001262559938 1041721015 /nfs/dbraw/zinc/72/10/15/1041721015.db2.gz AOZYPOADKLOZFY-HHXXYDBFSA-N 1 3 362.518 2.505 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H](O)CCC1(O)CCC1)c1ccccc1O2 ZINC001262562926 1041722878 /nfs/dbraw/zinc/72/28/78/1041722878.db2.gz PFIFAIYHKPVJFN-IEBWSBKVSA-N 1 3 374.525 2.620 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C2 ZINC001262589747 1041741540 /nfs/dbraw/zinc/74/15/40/1041741540.db2.gz QHHYBLWOHKKDON-NMLBUPMWSA-N 1 3 356.514 2.562 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)c(Cl)c1 ZINC001215416030 1041775441 /nfs/dbraw/zinc/77/54/41/1041775441.db2.gz NOPHMLMBLXVKHR-CRAIPNDOSA-N 1 3 363.933 2.927 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001215536126 1041818284 /nfs/dbraw/zinc/81/82/84/1041818284.db2.gz JIAVDERODZDMBL-SVFBPWRDSA-N 1 3 357.542 2.930 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC001216001624 1041928434 /nfs/dbraw/zinc/92/84/34/1041928434.db2.gz GISORWCAGFAJPD-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001216510960 1042045112 /nfs/dbraw/zinc/04/51/12/1042045112.db2.gz GLTCSAWYDLGHPW-SLYNCCJLSA-N 1 3 357.542 2.885 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2c(F)cccc2Cl)C1 ZINC001216852081 1042144376 /nfs/dbraw/zinc/14/43/76/1042144376.db2.gz OCKXSTSEMABZSF-RDTXWAMCSA-N 1 3 369.912 2.798 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C(C)C)sn1 ZINC001264010083 1042579542 /nfs/dbraw/zinc/57/95/42/1042579542.db2.gz LIOXOUOAWVXQHS-ZBFHGGJFSA-N 1 3 352.548 2.508 20 0 FFADHO CC[C@H](CN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C)OC ZINC001264150316 1042638156 /nfs/dbraw/zinc/63/81/56/1042638156.db2.gz BRRQLBMNVXXTBB-NXHRZFHOSA-N 1 3 353.551 2.643 20 0 FFADHO CC[C@H](CN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C)OC ZINC001264150316 1042638158 /nfs/dbraw/zinc/63/81/58/1042638158.db2.gz BRRQLBMNVXXTBB-NXHRZFHOSA-N 1 3 353.551 2.643 20 0 FFADHO CC(C)OCCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001264157809 1042642684 /nfs/dbraw/zinc/64/26/84/1042642684.db2.gz TVZXGWJIEQIRTM-YZGWKJHDSA-N 1 3 365.562 2.788 20 0 FFADHO CC(C)OCCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001264157809 1042642686 /nfs/dbraw/zinc/64/26/86/1042642686.db2.gz TVZXGWJIEQIRTM-YZGWKJHDSA-N 1 3 365.562 2.788 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC001264485898 1042693013 /nfs/dbraw/zinc/69/30/13/1042693013.db2.gz WYZYCNSIOIMHFQ-LSDHHAIUSA-N 1 3 353.457 2.681 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC001264485898 1042693015 /nfs/dbraw/zinc/69/30/15/1042693015.db2.gz WYZYCNSIOIMHFQ-LSDHHAIUSA-N 1 3 353.457 2.681 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCCF)CC[C@@H]1c1ccccc1)[NH+](C)C ZINC001264592564 1042730612 /nfs/dbraw/zinc/73/06/12/1042730612.db2.gz LPIFHZOJHNUBLH-AQNXPRMDSA-N 1 3 363.521 2.907 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001264706794 1042789913 /nfs/dbraw/zinc/78/99/13/1042789913.db2.gz RRLVRIJBGHSTHV-QMMLZNLJSA-N 1 3 359.558 2.957 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001264706794 1042789919 /nfs/dbraw/zinc/78/99/19/1042789919.db2.gz RRLVRIJBGHSTHV-QMMLZNLJSA-N 1 3 359.558 2.957 20 0 FFADHO O=c1cccc(CN2CCC3(C2)CC[NH+](Cc2cccc(O)c2)CC3)[nH]1 ZINC001279139088 1042914863 /nfs/dbraw/zinc/91/48/63/1042914863.db2.gz DGCQHOOAQYZKDS-UHFFFAOYSA-N 1 3 353.466 2.981 20 0 FFADHO COc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cc1N ZINC001279330250 1043004267 /nfs/dbraw/zinc/00/42/67/1043004267.db2.gz IVYVHBFMJHXEQA-HDICACEKSA-N 1 3 354.498 2.950 20 0 FFADHO COc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cc1N ZINC001279330250 1043004272 /nfs/dbraw/zinc/00/42/72/1043004272.db2.gz IVYVHBFMJHXEQA-HDICACEKSA-N 1 3 354.498 2.950 20 0 FFADHO COc1cncc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1C ZINC001279365770 1043030429 /nfs/dbraw/zinc/03/04/29/1043030429.db2.gz ALATZUPDJDHAJU-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO COc1cncc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1C ZINC001279365770 1043030433 /nfs/dbraw/zinc/03/04/33/1043030433.db2.gz ALATZUPDJDHAJU-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccc(C(F)(F)F)nc1)CC2 ZINC001279372126 1043033196 /nfs/dbraw/zinc/03/31/96/1043033196.db2.gz KDRDBSUJANBPRX-UHFFFAOYSA-N 1 3 370.463 2.950 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccc(C(F)(F)F)nc1)CC2 ZINC001279372126 1043033200 /nfs/dbraw/zinc/03/32/00/1043033200.db2.gz KDRDBSUJANBPRX-UHFFFAOYSA-N 1 3 370.463 2.950 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cccc(-c3ccccc3)n2)CCC12C[NH2+]C2 ZINC001237433045 1043159530 /nfs/dbraw/zinc/15/95/30/1043159530.db2.gz ZSXFPBGABQZMAC-LJQANCHMSA-N 1 3 365.477 2.723 20 0 FFADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CCc3cccc(F)c3)CC2)C1 ZINC001279495690 1043183353 /nfs/dbraw/zinc/18/33/53/1043183353.db2.gz QORDOFDJEFOKTR-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1c[nH]nc1-c1cccs1)C2 ZINC001279526978 1043226974 /nfs/dbraw/zinc/22/69/74/1043226974.db2.gz OCPKOFOHTVITTG-UHFFFAOYSA-N 1 3 359.543 2.598 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cccc(OC(C)(C)C)n1)CC2 ZINC001279537631 1043234541 /nfs/dbraw/zinc/23/45/41/1043234541.db2.gz VMHPMAFGRIFUOR-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO Cc1ncsc1CN1CC2(C1)CCCN(CC(C)(C)C[NH+](C)C)C2 ZINC001279592566 1043306662 /nfs/dbraw/zinc/30/66/62/1043306662.db2.gz ZGLZNRZYHCSEJO-UHFFFAOYSA-N 1 3 350.576 2.937 20 0 FFADHO Cc1ncsc1CN1CC2(C1)CCC[N@@H+](CC(C)(C)CN(C)C)C2 ZINC001279592566 1043306670 /nfs/dbraw/zinc/30/66/70/1043306670.db2.gz ZGLZNRZYHCSEJO-UHFFFAOYSA-N 1 3 350.576 2.937 20 0 FFADHO Cc1ncsc1CN1CC2(C1)CCC[N@H+](CC(C)(C)CN(C)C)C2 ZINC001279592566 1043306676 /nfs/dbraw/zinc/30/66/76/1043306676.db2.gz ZGLZNRZYHCSEJO-UHFFFAOYSA-N 1 3 350.576 2.937 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001279605100 1043328354 /nfs/dbraw/zinc/32/83/54/1043328354.db2.gz ZBQMLXJMMDLEJK-UHFFFAOYSA-N 1 3 361.921 2.676 20 0 FFADHO c1n[nH]cc1CN[C@]12CC[C@]([NH2+]Cc3cn4ccccc4n3)(C1)CCC2 ZINC001279626656 1043364352 /nfs/dbraw/zinc/36/43/52/1043364352.db2.gz OEFTZPMBBIVWHD-UXHICEINSA-N 1 3 350.470 2.782 20 0 FFADHO COc1ccoc1C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccn3)CO2)CC1 ZINC001237867116 1043406134 /nfs/dbraw/zinc/40/61/34/1043406134.db2.gz VMQGICDHBZJBTB-GOSISDBHSA-N 1 3 371.481 2.939 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3[nH]nc4cc(Cl)ccc43)CC2)CC1 ZINC001237999908 1043475607 /nfs/dbraw/zinc/47/56/07/1043475607.db2.gz ZDLUGPGABXHLNL-UHFFFAOYSA-N 1 3 361.921 2.676 20 0 FFADHO Nc1cccc(C[N@H+]2C[C@@H]3CCN(Cc4cccc(=O)[nH]4)CC[C@@H]3C2)c1 ZINC001279700152 1043492978 /nfs/dbraw/zinc/49/29/78/1043492978.db2.gz UNSRZXORWIVZGY-HDICACEKSA-N 1 3 352.482 2.713 20 0 FFADHO Nc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4cccc(=O)[nH]4)CC[C@@H]3C2)c1 ZINC001279700152 1043492984 /nfs/dbraw/zinc/49/29/84/1043492984.db2.gz UNSRZXORWIVZGY-HDICACEKSA-N 1 3 352.482 2.713 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1ccc(Cl)cc1)C2 ZINC001279741793 1043568475 /nfs/dbraw/zinc/56/84/75/1043568475.db2.gz OIZABCLUYXYWHL-YLJYHZDGSA-N 1 3 363.933 2.962 20 0 FFADHO Cc1csc(CNC23CC(C(=O)NC4CC[NH+](C)CC4)(C2)C3)c1Cl ZINC001279873840 1043818685 /nfs/dbraw/zinc/81/86/85/1043818685.db2.gz CFRWXLPZAHFAKA-UHFFFAOYSA-N 1 3 367.946 2.933 20 0 FFADHO Fc1ccc(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1F ZINC001278282772 1043903182 /nfs/dbraw/zinc/90/31/82/1043903182.db2.gz YJGWTBHBXGMIRF-UHFFFAOYSA-N 1 3 360.452 2.802 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001311877135 1043992567 /nfs/dbraw/zinc/99/25/67/1043992567.db2.gz JDTXBBCHHUZZML-QKNQBKEWSA-N 1 3 358.530 2.823 20 0 FFADHO C[NH+]1CCC(NC(=O)C23CC(NCc4ccc(Cl)cc4F)(C2)C3)CC1 ZINC001279970792 1044009204 /nfs/dbraw/zinc/00/92/04/1044009204.db2.gz HHUXRVOGBDNKHL-UHFFFAOYSA-N 1 3 365.880 2.702 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC001312818376 1044176285 /nfs/dbraw/zinc/17/62/85/1044176285.db2.gz MGCLLXLAGQVADE-QHAWAJNXSA-N 1 3 372.557 2.833 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC001312818376 1044176291 /nfs/dbraw/zinc/17/62/91/1044176291.db2.gz MGCLLXLAGQVADE-QHAWAJNXSA-N 1 3 372.557 2.833 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001313315703 1044312816 /nfs/dbraw/zinc/31/28/16/1044312816.db2.gz LIPOHYSIUZCCHS-UGXKVIGPSA-N 1 3 350.551 2.621 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001313315703 1044312825 /nfs/dbraw/zinc/31/28/25/1044312825.db2.gz LIPOHYSIUZCCHS-UGXKVIGPSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001313371027 1044333521 /nfs/dbraw/zinc/33/35/21/1044333521.db2.gz WDRSGZCVRDTVGB-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001313371027 1044333534 /nfs/dbraw/zinc/33/35/34/1044333534.db2.gz WDRSGZCVRDTVGB-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CSc1ncc(C)cc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001280181682 1044362191 /nfs/dbraw/zinc/36/21/91/1044362191.db2.gz AGQAZAMZHGRKBF-UHFFFAOYSA-N 1 3 362.587 2.961 20 0 FFADHO CSc1ncc(C)cc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001280181682 1044362200 /nfs/dbraw/zinc/36/22/00/1044362200.db2.gz AGQAZAMZHGRKBF-UHFFFAOYSA-N 1 3 362.587 2.961 20 0 FFADHO c1ccc2[nH]c(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CCN3CCCC3)nc2c1 ZINC001280225030 1044421846 /nfs/dbraw/zinc/42/18/46/1044421846.db2.gz YVDMPQMEOWFVKH-AYHJJNSGSA-N 1 3 353.514 2.744 20 0 FFADHO c1ccc2[nH]c(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CCN3CCCC3)nc2c1 ZINC001280225030 1044421853 /nfs/dbraw/zinc/42/18/53/1044421853.db2.gz YVDMPQMEOWFVKH-AYHJJNSGSA-N 1 3 353.514 2.744 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)c1ccc2c(n1)CCN(CC(C)(C)C)C2 ZINC001280243149 1044456014 /nfs/dbraw/zinc/45/60/14/1044456014.db2.gz GTZCYFFGRYQPLS-UHFFFAOYSA-N 1 3 360.546 2.900 20 0 FFADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(CCCN3CCN(C)CC3)[C@@H]2C1 ZINC001280245447 1044460280 /nfs/dbraw/zinc/46/02/80/1044460280.db2.gz FZTNBSORRLOSCT-FDFHNCONSA-N 1 3 364.622 2.846 20 0 FFADHO CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(CCCN3CCN(C)CC3)[C@@H]2C1 ZINC001280245447 1044460283 /nfs/dbraw/zinc/46/02/83/1044460283.db2.gz FZTNBSORRLOSCT-FDFHNCONSA-N 1 3 364.622 2.846 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@H]3C[C@]32C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC001280327550 1044614620 /nfs/dbraw/zinc/61/46/20/1044614620.db2.gz PHXTUGBGOSMXLE-SIKLNZKXSA-N 1 3 355.526 2.820 20 0 FFADHO CN1CCN(c2cccc(-c3cc(OC4CC[NH+](C)CC4)ccn3)c2)CC1 ZINC001243668445 1044988878 /nfs/dbraw/zinc/98/88/78/1044988878.db2.gz DTYAVQWLQRTHIL-UHFFFAOYSA-N 1 3 366.509 2.973 20 0 FFADHO COc1ccc([C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2[NH2+]CCC(C)C)cc1 ZINC001316812956 1045033395 /nfs/dbraw/zinc/03/33/95/1045033395.db2.gz ZWHOBOHCUQAZNJ-VQTJNVASSA-N 1 3 370.497 2.591 20 0 FFADHO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCN(C)C)c1 ZINC001278378260 1045106848 /nfs/dbraw/zinc/10/68/48/1045106848.db2.gz IAZCCPZQJLBIGP-HDICACEKSA-N 1 3 366.347 2.968 20 0 FFADHO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN(C)C)c1 ZINC001278378260 1045106853 /nfs/dbraw/zinc/10/68/53/1045106853.db2.gz IAZCCPZQJLBIGP-HDICACEKSA-N 1 3 366.347 2.968 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)N1CCc2ccccc2C1 ZINC001318501883 1045315347 /nfs/dbraw/zinc/31/53/47/1045315347.db2.gz CHJVUHOIRMNLIS-QHAWAJNXSA-N 1 3 372.557 2.995 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)Cc1ccco1 ZINC001323275735 1045527493 /nfs/dbraw/zinc/52/74/93/1045527493.db2.gz CGEFCNVDDJZHMT-QZTJIDSGSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cc(F)ccc2F)C(C)(C)C)CC[N@@H+]1C ZINC001284592337 1046584468 /nfs/dbraw/zinc/58/44/68/1046584468.db2.gz YPQZAUFGHQZNIL-QBIMZIAESA-N 1 3 367.484 2.926 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cc(F)ccc2F)C(C)(C)C)CC[N@H+]1C ZINC001284592337 1046584483 /nfs/dbraw/zinc/58/44/83/1046584483.db2.gz YPQZAUFGHQZNIL-QBIMZIAESA-N 1 3 367.484 2.926 20 0 FFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327089830 1047183743 /nfs/dbraw/zinc/18/37/43/1047183743.db2.gz OTCVEFIKXKVEEY-GSQFEDNKSA-N 1 3 359.558 2.926 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C3CCC2(C[NH3+])CC3)N(C)C)cc1 ZINC001331391680 1047909810 /nfs/dbraw/zinc/90/98/10/1047909810.db2.gz DBUPWZJXOIPUJV-BIXGBWIQSA-N 1 3 374.529 2.742 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)N(C)C)cc1 ZINC001331877807 1048151325 /nfs/dbraw/zinc/15/13/25/1048151325.db2.gz YUXBKHKCNUHRMQ-UFYCRDLUSA-N 1 3 374.529 2.612 20 0 FFADHO COc1cccc([C@@H]2CC(=O)N(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)C2)c1 ZINC001334727051 1049549483 /nfs/dbraw/zinc/54/94/83/1049549483.db2.gz XUDLYMVOFVFMAL-VNTMZGSJSA-N 1 3 371.525 2.631 20 0 FFADHO CCC[N@@H+]1CC[C@@H](Cn2c(CC)nnc2N2CCN(C3CCCC3)CC2)C1 ZINC001294661019 1049790831 /nfs/dbraw/zinc/79/08/31/1049790831.db2.gz ICFHLGIUXZELII-GOSISDBHSA-N 1 3 374.577 2.637 20 0 FFADHO CCC[N@H+]1CC[C@@H](Cn2c(CC)nnc2N2CCN(C3CCCC3)CC2)C1 ZINC001294661019 1049790835 /nfs/dbraw/zinc/79/08/35/1049790835.db2.gz ICFHLGIUXZELII-GOSISDBHSA-N 1 3 374.577 2.637 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001294886240 1049826468 /nfs/dbraw/zinc/82/64/68/1049826468.db2.gz SVNVWDFJXPYQNG-BVOGOJNSSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001294886240 1049826471 /nfs/dbraw/zinc/82/64/71/1049826471.db2.gz SVNVWDFJXPYQNG-BVOGOJNSSA-N 1 3 355.526 2.840 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCC[NH+](CC)CC)C[C@@H]1C ZINC001295533823 1049945143 /nfs/dbraw/zinc/94/51/43/1049945143.db2.gz FSFJLLQOSMXAIY-IRXDYDNUSA-N 1 3 362.566 2.806 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NC/C(Cl)=C\Cl)C1)[NH+](C)C ZINC001316660114 1050050567 /nfs/dbraw/zinc/05/05/67/1050050567.db2.gz GIHYFJGEXTXYQS-MAQVBNQASA-N 1 3 350.334 2.766 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c1OCCNC2 ZINC001341540282 1050168176 /nfs/dbraw/zinc/16/81/76/1050168176.db2.gz PLCHHWYFUQOBDW-UHFFFAOYSA-N 1 3 365.477 2.694 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)c1csc([C@@H](C)N)n1)N1CCCC1 ZINC001341629721 1050256102 /nfs/dbraw/zinc/25/61/02/1050256102.db2.gz JFVSHLHQRBXILI-CZUORRHYSA-N 1 3 374.510 2.738 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)c1csc([C@@H](C)N)n1)[NH+]1CCCC1 ZINC001341629721 1050256119 /nfs/dbraw/zinc/25/61/19/1050256119.db2.gz JFVSHLHQRBXILI-CZUORRHYSA-N 1 3 374.510 2.738 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2c(s1)CNCC2 ZINC001340060576 1050468060 /nfs/dbraw/zinc/46/80/60/1050468060.db2.gz CYBKIHGOQHNBCH-QGZVFWFLSA-N 1 3 369.534 2.688 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2c(s1)CNCC2 ZINC001340060576 1050468063 /nfs/dbraw/zinc/46/80/63/1050468063.db2.gz CYBKIHGOQHNBCH-QGZVFWFLSA-N 1 3 369.534 2.688 20 0 FFADHO Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)o1 ZINC001542339517 1071213734 /nfs/dbraw/zinc/21/37/34/1071213734.db2.gz DHYCMUYZFXCKNT-OAHLLOKOSA-N 1 3 374.533 2.717 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc(Cl)n1 ZINC001342704676 1051320128 /nfs/dbraw/zinc/32/01/28/1051320128.db2.gz AEJFGDGBBMBYPR-WUJZJPHMSA-N 1 3 364.921 2.957 20 0 FFADHO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC001342739289 1051356049 /nfs/dbraw/zinc/35/60/49/1051356049.db2.gz UAOQEXNDUXZOAH-LZLYRXPVSA-N 1 3 369.431 2.685 20 0 FFADHO CC(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001342806657 1051415499 /nfs/dbraw/zinc/41/54/99/1051415499.db2.gz LGHREYLRPFXHRA-ZWKOTPCHSA-N 1 3 362.566 2.520 20 0 FFADHO CC(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001342806657 1051415506 /nfs/dbraw/zinc/41/55/06/1051415506.db2.gz LGHREYLRPFXHRA-ZWKOTPCHSA-N 1 3 362.566 2.520 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC001308331687 1052447064 /nfs/dbraw/zinc/44/70/64/1052447064.db2.gz WECMVJDSIVNIQQ-YADHBBJMSA-N 1 3 357.542 2.618 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC001308330208 1052447218 /nfs/dbraw/zinc/44/72/18/1052447218.db2.gz JLCJDRNCFGXRHF-SJORKVTESA-N 1 3 366.889 2.579 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001343892265 1052473939 /nfs/dbraw/zinc/47/39/39/1052473939.db2.gz NBJZBPOZFPDIRP-AEFFLSMTSA-N 1 3 373.545 2.793 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001343892265 1052473942 /nfs/dbraw/zinc/47/39/42/1052473942.db2.gz NBJZBPOZFPDIRP-AEFFLSMTSA-N 1 3 373.545 2.793 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C2 ZINC001346526814 1053074555 /nfs/dbraw/zinc/07/45/55/1053074555.db2.gz QHHYBLWOHKKDON-MUGJNUQGSA-N 1 3 356.514 2.562 20 0 FFADHO C[N@@H+]1CCC[C@H](c2nnc(N3CCN(C4CCCC4)CC3)n2CC2CC2)C1 ZINC001346887984 1053413809 /nfs/dbraw/zinc/41/38/09/1053413809.db2.gz IPIOSMRPIGLJDK-SFHVURJKSA-N 1 3 372.561 2.562 20 0 FFADHO C[N@H+]1CCC[C@H](c2nnc(N3CCN(C4CCCC4)CC3)n2CC2CC2)C1 ZINC001346887984 1053413815 /nfs/dbraw/zinc/41/38/15/1053413815.db2.gz IPIOSMRPIGLJDK-SFHVURJKSA-N 1 3 372.561 2.562 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@H]2C[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC001336716964 1054161232 /nfs/dbraw/zinc/16/12/32/1054161232.db2.gz ZCNLXDMJBHGROO-JYJNAYRXSA-N 1 3 350.532 2.558 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC[NH+](C)CC3)n2CC(C)C)C[C@H]1C ZINC001347680131 1054221580 /nfs/dbraw/zinc/22/15/80/1054221580.db2.gz MDPFXTOWHJJLID-SJORKVTESA-N 1 3 362.566 2.662 20 0 FFADHO CCCN(C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001336993500 1054395149 /nfs/dbraw/zinc/39/51/49/1054395149.db2.gz JLTDUSRXRKJCED-VAMGGRTRSA-N 1 3 358.530 2.810 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccccc2)CC1 ZINC001337209184 1054558343 /nfs/dbraw/zinc/55/83/43/1054558343.db2.gz QGEQTJLBVTWMDF-LJQANCHMSA-N 1 3 360.571 2.553 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccccc2)CC1 ZINC001337209184 1054558352 /nfs/dbraw/zinc/55/83/52/1054558352.db2.gz QGEQTJLBVTWMDF-LJQANCHMSA-N 1 3 360.571 2.553 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3OCc4ccccc43)CC2)CC1 ZINC001348235551 1054562412 /nfs/dbraw/zinc/56/24/12/1054562412.db2.gz PEXWHARIUPQAGU-NRFANRHFSA-N 1 3 371.525 2.570 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[C@H](SC)C3)CC2)CC1 ZINC001349811857 1055481194 /nfs/dbraw/zinc/48/11/94/1055481194.db2.gz OLBKEVFXSAWAAN-MOPGFXCFSA-N 1 3 367.603 2.925 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cc(C)on3)CC2)CC1 ZINC000847321545 1055490603 /nfs/dbraw/zinc/49/06/03/1055490603.db2.gz XCHYDNDITFNZRN-FQEVSTJZSA-N 1 3 374.529 2.843 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)COc3ccccc3)CC2)CC1 ZINC000847361952 1055596262 /nfs/dbraw/zinc/59/62/62/1055596262.db2.gz IPLUECDABFHLRD-SFHVURJKSA-N 1 3 373.541 2.766 20 0 FFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)cc1 ZINC001352989386 1055999037 /nfs/dbraw/zinc/99/90/37/1055999037.db2.gz RXNPSOUNVVMCRP-PMACEKPBSA-N 1 3 364.493 2.977 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCCCN1C ZINC001358414875 1056301087 /nfs/dbraw/zinc/30/10/87/1056301087.db2.gz LWUMRZYCUHHEFR-HXUWFJFHSA-N 1 3 373.545 2.814 20 0 FFADHO CC1CCC(N2CCN(C(=S)NCC[NH+]3CCCCC3)CC2)CC1 ZINC001200429912 1056669743 /nfs/dbraw/zinc/66/97/43/1056669743.db2.gz UKUHTSBPSQAONV-UHFFFAOYSA-N 1 3 352.592 2.543 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001300436025 1058315102 /nfs/dbraw/zinc/31/51/02/1058315102.db2.gz PBQLONRFRNITTF-UXHICEINSA-N 1 3 358.530 2.530 20 0 FFADHO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001513289686 1058366652 /nfs/dbraw/zinc/36/66/52/1058366652.db2.gz PMIWDAWUQGJBKA-SFHVURJKSA-N 1 3 364.582 2.873 20 0 FFADHO CCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001513838618 1058606884 /nfs/dbraw/zinc/60/68/84/1058606884.db2.gz WOQPAKRXJYCZKK-IAGOWNOFSA-N 1 3 362.566 2.634 20 0 FFADHO CCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001513838618 1058606892 /nfs/dbraw/zinc/60/68/92/1058606892.db2.gz WOQPAKRXJYCZKK-IAGOWNOFSA-N 1 3 362.566 2.634 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001502256267 1058795556 /nfs/dbraw/zinc/79/55/56/1058795556.db2.gz WPXNLAAWBCSBGA-DLBZAZTESA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001502256267 1058795577 /nfs/dbraw/zinc/79/55/77/1058795577.db2.gz WPXNLAAWBCSBGA-DLBZAZTESA-N 1 3 374.577 2.949 20 0 FFADHO C[C@@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506921821 1059576766 /nfs/dbraw/zinc/57/67/66/1059576766.db2.gz KONNPLXKUPBUGD-OUCADQQQSA-N 1 3 358.939 2.511 20 0 FFADHO C[C@@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506921821 1059576782 /nfs/dbraw/zinc/57/67/82/1059576782.db2.gz KONNPLXKUPBUGD-OUCADQQQSA-N 1 3 358.939 2.511 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001515814097 1059807327 /nfs/dbraw/zinc/80/73/27/1059807327.db2.gz QCBPPIZWZCCTIX-BZSNNMDCSA-N 1 3 370.545 2.814 20 0 FFADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001509003222 1059975177 /nfs/dbraw/zinc/97/51/77/1059975177.db2.gz SDZWBFAZDLJLFV-KRWDZBQOSA-N 1 3 362.566 2.662 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC001520852263 1060142407 /nfs/dbraw/zinc/14/24/07/1060142407.db2.gz VTRXEQIQEHQPNW-CTNGQTDRSA-N 1 3 369.509 2.625 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001355547559 1060350686 /nfs/dbraw/zinc/35/06/86/1060350686.db2.gz LLHXSHSNCZFYAL-OPYAIIAOSA-N 1 3 357.498 2.623 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001547636361 1071979499 /nfs/dbraw/zinc/97/94/99/1071979499.db2.gz UTARVEWKDNCPEK-RYRKJORJSA-N 1 3 362.566 2.661 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001547634446 1071980051 /nfs/dbraw/zinc/98/00/51/1071980051.db2.gz FZFPMGXBRYNJSW-MSOLQXFVSA-N 1 3 362.566 2.806 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CNCC3)cc1 ZINC001521464234 1060604328 /nfs/dbraw/zinc/60/43/28/1060604328.db2.gz QYAUIFIZNFYFKZ-UHFFFAOYSA-N 1 3 372.494 2.536 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@]34CC[NH2+][C@H]3CCCC4)c(C)c2)CC1 ZINC001521503610 1060623851 /nfs/dbraw/zinc/62/38/51/1060623851.db2.gz IBCFZUSDZLOPMR-RBBKRZOGSA-N 1 3 370.541 2.998 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@@H+]3CCC(C)(C)C3)c2)CC1 ZINC001476453988 1061414672 /nfs/dbraw/zinc/41/46/72/1061414672.db2.gz ONROEMJCXMHNDL-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@H+]3CCC(C)(C)C3)c2)CC1 ZINC001476453988 1061414680 /nfs/dbraw/zinc/41/46/80/1061414680.db2.gz ONROEMJCXMHNDL-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC001478769600 1062110168 /nfs/dbraw/zinc/11/01/68/1062110168.db2.gz JEDPEYZXTGPPFA-UXPWSPDFSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC001478769600 1062110180 /nfs/dbraw/zinc/11/01/80/1062110180.db2.gz JEDPEYZXTGPPFA-UXPWSPDFSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CCCCN1C ZINC001479103986 1062226278 /nfs/dbraw/zinc/22/62/78/1062226278.db2.gz BMCXAQHHIHEAEE-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CCCCN1C ZINC001479103986 1062226298 /nfs/dbraw/zinc/22/62/98/1062226298.db2.gz BMCXAQHHIHEAEE-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@H]2C1 ZINC001479135361 1062246126 /nfs/dbraw/zinc/24/61/26/1062246126.db2.gz BVEYCPRNCGEXMO-WOZUAGRISA-N 1 3 370.541 2.681 20 0 FFADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@H]2C1 ZINC001479135361 1062246146 /nfs/dbraw/zinc/24/61/46/1062246146.db2.gz BVEYCPRNCGEXMO-WOZUAGRISA-N 1 3 370.541 2.681 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001492895778 1062257557 /nfs/dbraw/zinc/25/75/57/1062257557.db2.gz APRBHOSUSAULNM-IBGZPJMESA-N 1 3 370.545 2.810 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001479157065 1062258872 /nfs/dbraw/zinc/25/88/72/1062258872.db2.gz SSDFAVYGSCPVPP-NHCUHLMSSA-N 1 3 370.541 2.839 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1)N(C)C ZINC001479458294 1062424539 /nfs/dbraw/zinc/42/45/39/1062424539.db2.gz RZOITYTXEVBLKM-LESCRADOSA-N 1 3 366.937 2.696 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001479607442 1062622867 /nfs/dbraw/zinc/62/28/67/1062622867.db2.gz JDAOVYJGQVCXEU-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCc2cc(O)ccc2Cl)CC[N@@H+]1C ZINC001480765691 1063070219 /nfs/dbraw/zinc/07/02/19/1063070219.db2.gz RGIHAJQJDULOAG-QANKJYHBSA-N 1 3 367.921 2.760 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCc2cc(O)ccc2Cl)CC[N@H+]1C ZINC001480765691 1063070237 /nfs/dbraw/zinc/07/02/37/1063070237.db2.gz RGIHAJQJDULOAG-QANKJYHBSA-N 1 3 367.921 2.760 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC001469157421 1064100580 /nfs/dbraw/zinc/10/05/80/1064100580.db2.gz KRKCWEKWDDTVSA-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC001469157421 1064100586 /nfs/dbraw/zinc/10/05/86/1064100586.db2.gz KRKCWEKWDDTVSA-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001470013218 1064243164 /nfs/dbraw/zinc/24/31/64/1064243164.db2.gz UZPWNXZECRXSGW-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001470013218 1064243172 /nfs/dbraw/zinc/24/31/72/1064243172.db2.gz UZPWNXZECRXSGW-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001470701631 1064415734 /nfs/dbraw/zinc/41/57/34/1064415734.db2.gz MAYQHQNTRNQCOJ-NRFANRHFSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001470701631 1064415743 /nfs/dbraw/zinc/41/57/43/1064415743.db2.gz MAYQHQNTRNQCOJ-NRFANRHFSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCN1C ZINC001471396596 1064663906 /nfs/dbraw/zinc/66/39/06/1064663906.db2.gz SMWIUEGMODCOJO-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1C ZINC001471396596 1064663912 /nfs/dbraw/zinc/66/39/12/1064663912.db2.gz SMWIUEGMODCOJO-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)c1nnc(N(C)C2CC[NH2+]CC2)n1CCN(C)Cc1ccccc1 ZINC001575880369 1078172650 /nfs/dbraw/zinc/17/26/50/1078172650.db2.gz SLVNRANIOXCLGM-UHFFFAOYSA-N 1 3 370.545 2.722 20 0 FFADHO COc1cc(C)c(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)n1 ZINC001474084263 1065453873 /nfs/dbraw/zinc/45/38/73/1065453873.db2.gz FEQATHMYNQQUSH-HXUWFJFHSA-N 1 3 369.509 2.954 20 0 FFADHO COc1cc(C)c(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)n1 ZINC001474084263 1065453880 /nfs/dbraw/zinc/45/38/80/1065453880.db2.gz FEQATHMYNQQUSH-HXUWFJFHSA-N 1 3 369.509 2.954 20 0 FFADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001577523739 1078373546 /nfs/dbraw/zinc/37/35/46/1078373546.db2.gz APMPXXGGJVRLFI-FQEVSTJZSA-N 1 3 358.530 2.608 20 0 FFADHO CCN(C(=O)CC[C@@H]1COC(C)(C)[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577631816 1078382960 /nfs/dbraw/zinc/38/29/60/1078382960.db2.gz VNXITRJLYQHEDQ-MOPGFXCFSA-N 1 3 359.514 2.614 20 0 FFADHO CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@H](c1cccs1)N(C)C ZINC001577657947 1078385287 /nfs/dbraw/zinc/38/52/87/1078385287.db2.gz UTQAXVVZIAWQPN-HUUCEWRRSA-N 1 3 362.547 2.566 20 0 FFADHO CN(CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)Cc1ccncc1 ZINC001578466411 1078477552 /nfs/dbraw/zinc/47/75/52/1078477552.db2.gz LAMVKNPVPHWHBM-AABGKKOBSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@]12C[NH2+]C[C@@H]1CN(CC1CCN(C(=O)OCc3ccccc3)CC1)C2 ZINC001579473668 1078632615 /nfs/dbraw/zinc/63/26/15/1078632615.db2.gz IBKKTJXKGRSFTR-CTNGQTDRSA-N 1 3 357.498 2.577 20 0 FFADHO Cc1nnc(N2CCC[C@H]([C@H](C)[NH3+])C2)n1C[C@H](c1cccs1)N(C)C ZINC001579906475 1078712421 /nfs/dbraw/zinc/71/24/21/1078712421.db2.gz USIGAAKFRSWXFC-CWRNSKLLSA-N 1 3 362.547 2.515 20 0 FFADHO CCN1C(=O)C[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)[C@@H]1c1ccncc1 ZINC001549193900 1073684152 /nfs/dbraw/zinc/68/41/52/1073684152.db2.gz ZNIOLCGFEADFKD-PXNSSMCTSA-N 1 3 358.530 2.844 20 0 FFADHO O=C(NC[C@H]1CC12CC[NH2+]CC2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001550080718 1074140123 /nfs/dbraw/zinc/14/01/23/1074140123.db2.gz BFPLEWYDMZRQQG-ZWKOTPCHSA-N 1 3 359.489 2.544 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550287117 1074199158 /nfs/dbraw/zinc/19/91/58/1074199158.db2.gz DEZLITCWNAXZOL-LBFURVHYSA-N 1 3 370.541 2.681 20 0 FFADHO CCN(C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001550291101 1074200735 /nfs/dbraw/zinc/20/07/35/1074200735.db2.gz LIKXZHHPNYOOFR-OTYNDTSQSA-N 1 3 370.541 2.823 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ncc(C)c(OC)c3C)C2)[C@H]1C(C)C ZINC001550669052 1074426889 /nfs/dbraw/zinc/42/68/89/1074426889.db2.gz WQBKHZAAFAMLQR-YRLHULLVSA-N 1 3 361.530 2.666 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ncc(C)c(OC)c3C)C2)[C@H]1C(C)C ZINC001550669052 1074426894 /nfs/dbraw/zinc/42/68/94/1074426894.db2.gz WQBKHZAAFAMLQR-YRLHULLVSA-N 1 3 361.530 2.666 20 0 FFADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccccc1-n1ccnn1 ZINC001551398390 1074716119 /nfs/dbraw/zinc/71/61/19/1074716119.db2.gz CHQPGEBJJCNICQ-XPQZIERPSA-N 1 3 369.513 2.951 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CN1Cc1ccccc1 ZINC001551555114 1074755439 /nfs/dbraw/zinc/75/54/39/1074755439.db2.gz ZTUCCKPIQDGWIQ-WJXBRQKSSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC001551575753 1074760542 /nfs/dbraw/zinc/76/05/42/1074760542.db2.gz ZFMLPOYHZCYAJS-WJXBRQKSSA-N 1 3 356.514 2.781 20 0 FFADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@H](c1ccccc1)N1CCCC1)CC2 ZINC001551577046 1074761422 /nfs/dbraw/zinc/76/14/22/1074761422.db2.gz RHHGYVNYAKJZIK-XTBIFASLSA-N 1 3 356.514 2.783 20 0 FFADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC[NH+](C2CC2)CC1 ZINC001551892805 1074856985 /nfs/dbraw/zinc/85/69/85/1074856985.db2.gz YRNYUTQOSMAVAL-UHFFFAOYSA-N 1 3 350.466 2.946 20 0 FFADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC001552183967 1075012963 /nfs/dbraw/zinc/01/29/63/1075012963.db2.gz VJXLERCEVHOIRB-GJYPPUQNSA-N 1 3 362.543 2.655 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001552241722 1075030136 /nfs/dbraw/zinc/03/01/36/1075030136.db2.gz HEBMFSXNFWUPFC-NHCUHLMSSA-N 1 3 351.494 2.710 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001552241722 1075030137 /nfs/dbraw/zinc/03/01/37/1075030137.db2.gz HEBMFSXNFWUPFC-NHCUHLMSSA-N 1 3 351.494 2.710 20 0 FFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)CNCCO3)cc1 ZINC001553352198 1075290760 /nfs/dbraw/zinc/29/07/60/1075290760.db2.gz HKLAHMUVVTYCBE-IBGZPJMESA-N 1 3 353.466 2.722 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC001556927465 1075789934 /nfs/dbraw/zinc/78/99/34/1075789934.db2.gz DMAGKYXTMDDHFR-PKOBYXMFSA-N 1 3 361.505 2.980 20 0 FFADHO CC[N@H+]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC001556927465 1075789937 /nfs/dbraw/zinc/78/99/37/1075789937.db2.gz DMAGKYXTMDDHFR-PKOBYXMFSA-N 1 3 361.505 2.980 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001557450912 1075850728 /nfs/dbraw/zinc/85/07/28/1075850728.db2.gz POWAWUQOFAGEAR-INIZCTEOSA-N 1 3 351.510 2.882 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001557450912 1075850732 /nfs/dbraw/zinc/85/07/32/1075850732.db2.gz POWAWUQOFAGEAR-INIZCTEOSA-N 1 3 351.510 2.882 20 0 FFADHO O=S(=O)(CCC[NH+]1CCCC1)N(CCN1CCCCCC1)C1CCC1 ZINC001561618616 1076399150 /nfs/dbraw/zinc/39/91/50/1076399150.db2.gz WCCFRJPBCRQNCM-UHFFFAOYSA-N 1 3 371.591 2.533 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC001563468632 1076558299 /nfs/dbraw/zinc/55/82/99/1076558299.db2.gz APOBEAFRHXVHPM-UHFFFAOYSA-N 1 3 360.546 2.854 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC001563468632 1076558302 /nfs/dbraw/zinc/55/83/02/1076558302.db2.gz APOBEAFRHXVHPM-UHFFFAOYSA-N 1 3 360.546 2.854 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](C)[NH+]3CCCCC3)C2)cc1 ZINC001563704988 1076576505 /nfs/dbraw/zinc/57/65/05/1076576505.db2.gz NJWXTAZWWFRIMY-UYAOXDASSA-N 1 3 358.530 2.743 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001563783670 1076583241 /nfs/dbraw/zinc/58/32/41/1076583241.db2.gz PLAZNIUUZCJPEA-LJQANCHMSA-N 1 3 372.557 2.995 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001563783670 1076583247 /nfs/dbraw/zinc/58/32/47/1076583247.db2.gz PLAZNIUUZCJPEA-LJQANCHMSA-N 1 3 372.557 2.995 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CCCCN3C)CC2)CC1 ZINC001564415961 1076631181 /nfs/dbraw/zinc/63/11/81/1076631181.db2.gz YXWQTYZEGVRLJU-CTWPCTMYSA-N 1 3 350.551 2.813 20 0 FFADHO CCCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCN(C)C1 ZINC001565195496 1076696056 /nfs/dbraw/zinc/69/60/56/1076696056.db2.gz BHDSYSCHOHTYHC-TYPHKJRUSA-N 1 3 372.557 2.880 20 0 FFADHO CCCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCN(C)C1 ZINC001565195496 1076696059 /nfs/dbraw/zinc/69/60/59/1076696059.db2.gz BHDSYSCHOHTYHC-TYPHKJRUSA-N 1 3 372.557 2.880 20 0 FFADHO CCc1noc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001565908570 1076794996 /nfs/dbraw/zinc/79/49/96/1076794996.db2.gz UNUVSNNPXDMLBF-FRQCXROJSA-N 1 3 364.534 2.506 20 0 FFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3nc[nH]c3C)C2)c1 ZINC001565916394 1076800411 /nfs/dbraw/zinc/80/04/11/1076800411.db2.gz HKEATJQIWPKZTR-UWWQBHOKSA-N 1 3 370.497 2.905 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C2CC2)[C@@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC001567443627 1077027499 /nfs/dbraw/zinc/02/74/99/1077027499.db2.gz VVDMGQTWGXXOQW-LXGCGDOSSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C2CC2)[C@@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC001567443627 1077027504 /nfs/dbraw/zinc/02/75/04/1077027504.db2.gz VVDMGQTWGXXOQW-LXGCGDOSSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590259072 1081127773 /nfs/dbraw/zinc/12/77/73/1081127773.db2.gz HYHFBUGHWANVDF-INIZCTEOSA-N 1 3 369.517 2.738 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590259072 1081127776 /nfs/dbraw/zinc/12/77/76/1081127776.db2.gz HYHFBUGHWANVDF-INIZCTEOSA-N 1 3 369.517 2.738 20 0 FFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422855882 513953036 /nfs/dbraw/zinc/95/30/36/513953036.db2.gz DCINWDFUFZAVHN-GDBMZVCRSA-N 1 3 368.319 2.676 20 0 FFADHO C[C@@H]1CCN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000420395933 514129984 /nfs/dbraw/zinc/12/99/84/514129984.db2.gz DTVHEAAVGIBECP-OLZOCXBDSA-N 1 3 354.292 2.694 20 0 FFADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131654350 251006957 /nfs/dbraw/zinc/00/69/57/251006957.db2.gz OSGOKGWKUKCINK-UWVAXJGDSA-N 1 3 362.562 2.908 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)N(C)C)cc1 ZINC000153509958 251146307 /nfs/dbraw/zinc/14/63/07/251146307.db2.gz PHGIFNVGSIUEPB-NHCUHLMSSA-N 1 3 373.541 2.611 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)N(C)C)cc1 ZINC000153509958 251146312 /nfs/dbraw/zinc/14/63/12/251146312.db2.gz PHGIFNVGSIUEPB-NHCUHLMSSA-N 1 3 373.541 2.611 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192592787 251293680 /nfs/dbraw/zinc/29/36/80/251293680.db2.gz NYWJOVDEEAJHCF-SFHVURJKSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000268737554 251370716 /nfs/dbraw/zinc/37/07/16/251370716.db2.gz ORCFXKBMUQGDOV-YLJYHZDGSA-N 1 3 350.503 2.863 20 0 FFADHO CO[C@@H](C)[C@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000268811823 251391254 /nfs/dbraw/zinc/39/12/54/251391254.db2.gz DLQBGCUZVSFWTL-IRXDYDNUSA-N 1 3 350.503 2.689 20 0 FFADHO CO[C@@H](C)[C@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268811823 251391258 /nfs/dbraw/zinc/39/12/58/251391258.db2.gz DLQBGCUZVSFWTL-IRXDYDNUSA-N 1 3 350.503 2.689 20 0 FFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccco1 ZINC000272425514 252035742 /nfs/dbraw/zinc/03/57/42/252035742.db2.gz HBVYRAUGTMLBEG-JENIJYKNSA-N 1 3 355.482 2.785 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272475819 252048626 /nfs/dbraw/zinc/04/86/26/252048626.db2.gz QSTRKOKSCSFXIA-FXAWDEMLSA-N 1 3 358.530 2.762 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272475819 252048630 /nfs/dbraw/zinc/04/86/30/252048630.db2.gz QSTRKOKSCSFXIA-FXAWDEMLSA-N 1 3 358.530 2.762 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)[C@@H]2C1 ZINC000272516826 252058843 /nfs/dbraw/zinc/05/88/43/252058843.db2.gz YKAKEIIULQWRFO-VQTJNVASSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272649668 252092887 /nfs/dbraw/zinc/09/28/87/252092887.db2.gz JXQNHXKLXRYNEC-CTNGQTDRSA-N 1 3 358.574 2.513 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)CC1CCN(C)CC1 ZINC000273204175 252249469 /nfs/dbraw/zinc/24/94/69/252249469.db2.gz LSTUROMUCGIETQ-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(N(C)CCOC)nc2)c1 ZINC000277002560 256150779 /nfs/dbraw/zinc/15/07/79/256150779.db2.gz ZYXFIVGAGHJLRK-UHFFFAOYSA-N 1 3 356.514 2.906 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(N(C)CCOC)nc2)c1 ZINC000277002560 256150781 /nfs/dbraw/zinc/15/07/81/256150781.db2.gz ZYXFIVGAGHJLRK-UHFFFAOYSA-N 1 3 356.514 2.906 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000277035654 256154517 /nfs/dbraw/zinc/15/45/17/256154517.db2.gz FYFQAFGSGIQYOS-SJLPKXTDSA-N 1 3 362.518 2.511 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000277035654 256154519 /nfs/dbraw/zinc/15/45/19/256154519.db2.gz FYFQAFGSGIQYOS-SJLPKXTDSA-N 1 3 362.518 2.511 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000278605309 256330169 /nfs/dbraw/zinc/33/01/69/256330169.db2.gz RBUWDWBMEDHYSO-QZTJIDSGSA-N 1 3 359.514 2.965 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000278605309 256330170 /nfs/dbraw/zinc/33/01/70/256330170.db2.gz RBUWDWBMEDHYSO-QZTJIDSGSA-N 1 3 359.514 2.965 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000286647620 257047599 /nfs/dbraw/zinc/04/75/99/257047599.db2.gz BNSPFZUATUETER-WIYYLYMNSA-N 1 3 355.526 2.984 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@H]1CCOC1 ZINC000287421638 257088535 /nfs/dbraw/zinc/08/85/35/257088535.db2.gz KCTXVCGBBCMDRE-BMXMUORJSA-N 1 3 372.553 2.912 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000287669088 257101678 /nfs/dbraw/zinc/10/16/78/257101678.db2.gz MAAOETTZLNWOEY-ZWKOTPCHSA-N 1 3 371.447 2.634 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000287669079 257101692 /nfs/dbraw/zinc/10/16/92/257101692.db2.gz MAAOETTZLNWOEY-MSOLQXFVSA-N 1 3 371.447 2.634 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288362222 257180024 /nfs/dbraw/zinc/18/00/24/257180024.db2.gz KLBFZGOYSUUYCK-XLIONFOSSA-N 1 3 371.529 2.566 20 0 FFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288377399 257181513 /nfs/dbraw/zinc/18/15/13/257181513.db2.gz LKVBWHLMKWXBPT-PXNSSMCTSA-N 1 3 371.529 2.566 20 0 FFADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000290009569 257311390 /nfs/dbraw/zinc/31/13/90/257311390.db2.gz ZPBQKRBBTQWBKU-RTBURBONSA-N 1 3 361.530 2.685 20 0 FFADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000290009569 257311391 /nfs/dbraw/zinc/31/13/91/257311391.db2.gz ZPBQKRBBTQWBKU-RTBURBONSA-N 1 3 361.530 2.685 20 0 FFADHO CCOc1cc2nccc(N3CCC([NH2+]CCO)CC3)c2cc1OCC ZINC000290923611 257364515 /nfs/dbraw/zinc/36/45/15/257364515.db2.gz IQGDEPSVYJFSOU-UHFFFAOYSA-N 1 3 359.470 2.583 20 0 FFADHO CN(c1ccccc1CN1CCC2(CC1)OCCCO2)C1CC[NH+](C)CC1 ZINC000293714171 257558448 /nfs/dbraw/zinc/55/84/48/257558448.db2.gz SPMOJEGDMGHXLE-UHFFFAOYSA-N 1 3 373.541 2.946 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cnc21 ZINC000333198493 258255635 /nfs/dbraw/zinc/25/56/35/258255635.db2.gz WWUHTLUZJQYJAI-RBUKOAKNSA-N 1 3 357.502 2.731 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333257269 258258767 /nfs/dbraw/zinc/25/87/67/258258767.db2.gz FNTGCQUVJOBGSB-MOPGFXCFSA-N 1 3 360.498 2.705 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000052710217 506236758 /nfs/dbraw/zinc/23/67/58/506236758.db2.gz SSDVCKUIPOFVGG-FQEVSTJZSA-N 1 3 374.529 2.617 20 0 FFADHO CC(C)CC[NH+]1CCC(CNCc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000366865607 512224188 /nfs/dbraw/zinc/22/41/88/512224188.db2.gz LACKGWGMBHVSFO-UHFFFAOYSA-N 1 3 356.518 2.725 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377430661 512265531 /nfs/dbraw/zinc/26/55/31/512265531.db2.gz ULRGPFMPCIMSGX-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377430661 512265535 /nfs/dbraw/zinc/26/55/35/512265535.db2.gz ULRGPFMPCIMSGX-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000065893497 506387003 /nfs/dbraw/zinc/38/70/03/506387003.db2.gz BYCFLDMSGUWOFY-LJQANCHMSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000066187963 506441778 /nfs/dbraw/zinc/44/17/78/506441778.db2.gz PFQIYYMAINWEOQ-KURKYZTESA-N 1 3 350.551 2.623 20 0 FFADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000067452927 506887178 /nfs/dbraw/zinc/88/71/78/506887178.db2.gz FGRYXQZEEODMGC-IYBDPMFKSA-N 1 3 366.502 2.691 20 0 FFADHO CCOc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000044913456 506901026 /nfs/dbraw/zinc/90/10/26/506901026.db2.gz LOFACZVBKSDQKS-UHFFFAOYSA-N 1 3 373.541 2.899 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnc(-c3cnn(C)c3)nc2)C1 ZINC000373395518 512310028 /nfs/dbraw/zinc/31/00/28/512310028.db2.gz QPAJVLXZDQANFM-CALCHBBNSA-N 1 3 356.518 2.725 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnc(-c3cnn(C)c3)nc2)C1 ZINC000373395518 512310030 /nfs/dbraw/zinc/31/00/30/512310030.db2.gz QPAJVLXZDQANFM-CALCHBBNSA-N 1 3 356.518 2.725 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000068117479 507119211 /nfs/dbraw/zinc/11/92/11/507119211.db2.gz WCRARXPWHZQKFG-IBGZPJMESA-N 1 3 361.530 2.867 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000057205706 507204791 /nfs/dbraw/zinc/20/47/91/507204791.db2.gz ZHELNENSNZFHNU-FQEVSTJZSA-N 1 3 360.546 2.771 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC1 ZINC000068566326 507272280 /nfs/dbraw/zinc/27/22/80/507272280.db2.gz ADKNCIGQPKMVRD-UHFFFAOYSA-N 1 3 368.472 2.522 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CCCN(C)C2)c2cccs2)CC1 ZINC000072015936 507736581 /nfs/dbraw/zinc/73/65/81/507736581.db2.gz RTGXTAWJKKXVGA-SJORKVTESA-N 1 3 364.559 2.915 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000052523469 507812159 /nfs/dbraw/zinc/81/21/59/507812159.db2.gz YSARQTXSVXXGSV-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000052523469 507812161 /nfs/dbraw/zinc/81/21/61/507812161.db2.gz YSARQTXSVXXGSV-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000108552573 507903333 /nfs/dbraw/zinc/90/33/33/507903333.db2.gz MIHXWVJSFAQQKC-NHCUHLMSSA-N 1 3 370.541 2.607 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000108552573 507903335 /nfs/dbraw/zinc/90/33/35/507903335.db2.gz MIHXWVJSFAQQKC-NHCUHLMSSA-N 1 3 370.541 2.607 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000108552119 507903473 /nfs/dbraw/zinc/90/34/73/507903473.db2.gz GHSRIYOCIXJVOH-ZWKOTPCHSA-N 1 3 364.559 2.915 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000108552119 507903475 /nfs/dbraw/zinc/90/34/75/507903475.db2.gz GHSRIYOCIXJVOH-ZWKOTPCHSA-N 1 3 364.559 2.915 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C2 ZINC000073415578 507920329 /nfs/dbraw/zinc/92/03/29/507920329.db2.gz PGNBBNSJSFKGGZ-ZCNNSNEGSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C2 ZINC000073415578 507920332 /nfs/dbraw/zinc/92/03/32/507920332.db2.gz PGNBBNSJSFKGGZ-ZCNNSNEGSA-N 1 3 356.514 2.702 20 0 FFADHO CC[N@@H+]1CC[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)[C@H](C)C1 ZINC000090468738 507922125 /nfs/dbraw/zinc/92/21/25/507922125.db2.gz NKPYEAYQGQEHOX-XLIONFOSSA-N 1 3 364.965 2.782 20 0 FFADHO CC[N@H+]1CC[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)[C@H](C)C1 ZINC000090468738 507922128 /nfs/dbraw/zinc/92/21/28/507922128.db2.gz NKPYEAYQGQEHOX-XLIONFOSSA-N 1 3 364.965 2.782 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079007803 507924106 /nfs/dbraw/zinc/92/41/06/507924106.db2.gz AATYVHJXPNJPSR-XLIONFOSSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079007803 507924107 /nfs/dbraw/zinc/92/41/07/507924107.db2.gz AATYVHJXPNJPSR-XLIONFOSSA-N 1 3 356.514 2.607 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000073662287 507943762 /nfs/dbraw/zinc/94/37/62/507943762.db2.gz DNDRVLRFVNVCHL-OAQYLSRUSA-N 1 3 372.557 2.951 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000073662287 507943763 /nfs/dbraw/zinc/94/37/63/507943763.db2.gz DNDRVLRFVNVCHL-OAQYLSRUSA-N 1 3 372.557 2.951 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073793958 507956913 /nfs/dbraw/zinc/95/69/13/507956913.db2.gz VOWHYIWQDLHGMM-PMACEKPBSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073793958 507956916 /nfs/dbraw/zinc/95/69/16/507956916.db2.gz VOWHYIWQDLHGMM-PMACEKPBSA-N 1 3 360.546 2.675 20 0 FFADHO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)CN1CCCC1 ZINC000091306453 507979553 /nfs/dbraw/zinc/97/95/53/507979553.db2.gz UGJCPDHDAVKIGI-IAGOWNOFSA-N 1 3 353.304 2.947 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000079572535 507977560 /nfs/dbraw/zinc/97/75/60/507977560.db2.gz DSSHKBMKVJRIGR-HXUWFJFHSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000074266835 508003921 /nfs/dbraw/zinc/00/39/21/508003921.db2.gz RBDRPNSFWANKOP-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000074266835 508003923 /nfs/dbraw/zinc/00/39/23/508003923.db2.gz RBDRPNSFWANKOP-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000074538687 508032756 /nfs/dbraw/zinc/03/27/56/508032756.db2.gz IAUKFKYIIIRAGF-UHFFFAOYSA-N 1 3 355.442 2.505 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000074710406 508049482 /nfs/dbraw/zinc/04/94/82/508049482.db2.gz DKMJHBNWISXEOQ-UHFFFAOYSA-N 1 3 350.507 2.536 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110812901 508049690 /nfs/dbraw/zinc/04/96/90/508049690.db2.gz XGSPGHAGBUIPFX-NQIIRXRSSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110812901 508049693 /nfs/dbraw/zinc/04/96/93/508049693.db2.gz XGSPGHAGBUIPFX-NQIIRXRSSA-N 1 3 357.542 2.788 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc(N(C)C)c2)CC1 ZINC000075638818 508125355 /nfs/dbraw/zinc/12/53/55/508125355.db2.gz OPVQOYOKBKXDAT-UHFFFAOYSA-N 1 3 374.573 2.813 20 0 FFADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)[C@H](C)C1 ZINC000093639525 508150909 /nfs/dbraw/zinc/15/09/09/508150909.db2.gz MGFRCXVNQSWAPN-QUCCMNQESA-N 1 3 373.541 2.850 20 0 FFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)[C@H](C)C1 ZINC000093639525 508150911 /nfs/dbraw/zinc/15/09/11/508150911.db2.gz MGFRCXVNQSWAPN-QUCCMNQESA-N 1 3 373.541 2.850 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000084440792 508279746 /nfs/dbraw/zinc/27/97/46/508279746.db2.gz DFWKFXNPWZYPDP-INIZCTEOSA-N 1 3 364.559 2.838 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000084440792 508279749 /nfs/dbraw/zinc/27/97/49/508279749.db2.gz DFWKFXNPWZYPDP-INIZCTEOSA-N 1 3 364.559 2.838 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC(C)C)c(OCC[NH+](C)C)c1 ZINC000085601508 508313774 /nfs/dbraw/zinc/31/37/74/508313774.db2.gz FPWWEUGGWADYAF-UHFFFAOYSA-N 1 3 364.534 2.987 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000077721287 508359199 /nfs/dbraw/zinc/35/91/99/508359199.db2.gz VVMSSGHBWAVQAA-SFHVURJKSA-N 1 3 358.530 2.956 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000089209336 508390997 /nfs/dbraw/zinc/39/09/97/508390997.db2.gz ARUKRSCDLSJROI-IBGZPJMESA-N 1 3 373.545 2.718 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000089209336 508391001 /nfs/dbraw/zinc/39/10/01/508391001.db2.gz ARUKRSCDLSJROI-IBGZPJMESA-N 1 3 373.545 2.718 20 0 FFADHO CN(C)Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000156385203 508412619 /nfs/dbraw/zinc/41/26/19/508412619.db2.gz GENRZQCXQQYTTH-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000115636451 508419351 /nfs/dbraw/zinc/41/93/51/508419351.db2.gz HTLVZEQQOUEHPA-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000115636451 508419356 /nfs/dbraw/zinc/41/93/56/508419356.db2.gz HTLVZEQQOUEHPA-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000121929625 508451091 /nfs/dbraw/zinc/45/10/91/508451091.db2.gz RHYVXIAEQMLYDM-QRQLOZEOSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000121929625 508451094 /nfs/dbraw/zinc/45/10/94/508451094.db2.gz RHYVXIAEQMLYDM-QRQLOZEOSA-N 1 3 356.514 2.575 20 0 FFADHO Cc1cc(N(C)C)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127488108 508457943 /nfs/dbraw/zinc/45/79/43/508457943.db2.gz INGMESOEYMZXLC-UHFFFAOYSA-N 1 3 373.545 2.741 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000156666317 508459353 /nfs/dbraw/zinc/45/93/53/508459353.db2.gz DSCHUUJHQSSWMU-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000156666317 508459356 /nfs/dbraw/zinc/45/93/56/508459356.db2.gz DSCHUUJHQSSWMU-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000122092111 508480418 /nfs/dbraw/zinc/48/04/18/508480418.db2.gz SSFLIFXXEFTIPJ-QGZVFWFLSA-N 1 3 353.551 2.504 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000122092111 508480423 /nfs/dbraw/zinc/48/04/23/508480423.db2.gz SSFLIFXXEFTIPJ-QGZVFWFLSA-N 1 3 353.551 2.504 20 0 FFADHO CNC(=O)c1ccc(CN2CCC(CCC[N@H+](C)CCOC)CC2)cc1 ZINC000122099193 508480958 /nfs/dbraw/zinc/48/09/58/508480958.db2.gz PHOTYAKVCWVKIP-UHFFFAOYSA-N 1 3 361.530 2.617 20 0 FFADHO CNC(=O)c1ccc(CN2CCC(CCC[N@@H+](C)CCOC)CC2)cc1 ZINC000122099193 508480961 /nfs/dbraw/zinc/48/09/61/508480961.db2.gz PHOTYAKVCWVKIP-UHFFFAOYSA-N 1 3 361.530 2.617 20 0 FFADHO C[C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000152716698 508500425 /nfs/dbraw/zinc/50/04/25/508500425.db2.gz YKYAZLULMFFENT-WIYYLYMNSA-N 1 3 357.542 2.836 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000127831609 508507345 /nfs/dbraw/zinc/50/73/45/508507345.db2.gz NUTOYCZCCVZRID-ICSRJNTNSA-N 1 3 360.546 2.957 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000127831609 508507350 /nfs/dbraw/zinc/50/73/50/508507350.db2.gz NUTOYCZCCVZRID-ICSRJNTNSA-N 1 3 360.546 2.957 20 0 FFADHO CC[N@H+](CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000116434742 508514056 /nfs/dbraw/zinc/51/40/56/508514056.db2.gz VOGPLAJQKLACSM-KRWDZBQOSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@@H+](CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000116434742 508514061 /nfs/dbraw/zinc/51/40/61/508514061.db2.gz VOGPLAJQKLACSM-KRWDZBQOSA-N 1 3 358.530 2.996 20 0 FFADHO CSc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1F ZINC000128032898 508538127 /nfs/dbraw/zinc/53/81/27/508538127.db2.gz ZHIMJDYBYDUPMK-HIFRSBDPSA-N 1 3 353.507 2.786 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)c2ccsc2S1 ZINC000128032215 508538196 /nfs/dbraw/zinc/53/81/96/508538196.db2.gz JFBWJQFMZIRCBI-YDHLFZDLSA-N 1 3 353.557 2.851 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1C(F)(F)F ZINC000128081005 508545114 /nfs/dbraw/zinc/54/51/14/508545114.db2.gz SMMRBDGHJQEFHT-KBPBESRZSA-N 1 3 357.420 2.943 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128413725 508589851 /nfs/dbraw/zinc/58/98/51/508589851.db2.gz LZGKLTOWMGIGIM-GOSISDBHSA-N 1 3 355.530 2.859 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2)CC1 ZINC000118754904 508669491 /nfs/dbraw/zinc/66/94/91/508669491.db2.gz GTYNOUZZOMRRGU-UHFFFAOYSA-N 1 3 372.557 2.823 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000154249724 508745867 /nfs/dbraw/zinc/74/58/67/508745867.db2.gz KSLSZWBFBWACFM-HNNXBMFYSA-N 1 3 371.472 2.975 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000367265121 512414741 /nfs/dbraw/zinc/41/47/41/512414741.db2.gz SIEATNOPEBVMDH-KSZLIROESA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000367265121 512414745 /nfs/dbraw/zinc/41/47/45/512414745.db2.gz SIEATNOPEBVMDH-KSZLIROESA-N 1 3 364.921 2.869 20 0 FFADHO C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000159082252 508790787 /nfs/dbraw/zinc/79/07/87/508790787.db2.gz IVVJRWYXMIJCAE-GOSISDBHSA-N 1 3 371.447 2.897 20 0 FFADHO Cc1ccc(NC(=O)N[C@H](C)CN2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000154624984 508821692 /nfs/dbraw/zinc/82/16/92/508821692.db2.gz KWHGLNMUGCEIPN-QGZVFWFLSA-N 1 3 362.518 2.931 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000130726757 508836976 /nfs/dbraw/zinc/83/69/76/508836976.db2.gz OQIZSKIGUXKYHO-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000130726757 508836981 /nfs/dbraw/zinc/83/69/81/508836981.db2.gz OQIZSKIGUXKYHO-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1OC1CCCC1 ZINC000119907666 508887742 /nfs/dbraw/zinc/88/77/42/508887742.db2.gz ANAOAIQGQPFGII-UHFFFAOYSA-N 1 3 362.518 2.965 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000120007202 508908894 /nfs/dbraw/zinc/90/88/94/508908894.db2.gz JUYGTVYZGBGOLK-UHFFFAOYSA-N 1 3 364.387 2.802 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4[nH]ccc43)CC2)CC1 ZINC000120038545 508915544 /nfs/dbraw/zinc/91/55/44/508915544.db2.gz TXNCJEMJGVSGLM-UHFFFAOYSA-N 1 3 355.486 2.848 20 0 FFADHO CN1CCO[C@@H]([C@@H](NCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131393653 508925618 /nfs/dbraw/zinc/92/56/18/508925618.db2.gz IQNBMPGVXVVNRG-MOPGFXCFSA-N 1 3 351.922 2.643 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000120243972 508956879 /nfs/dbraw/zinc/95/68/79/508956879.db2.gz AHQIWLFLQHNPEB-UHFFFAOYSA-N 1 3 359.474 2.662 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000155422578 508997661 /nfs/dbraw/zinc/99/76/61/508997661.db2.gz GQCFHOBFZLTYSU-MSOLQXFVSA-N 1 3 358.530 2.988 20 0 FFADHO CC(C)n1cc2cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc2n1 ZINC000132525920 509040393 /nfs/dbraw/zinc/04/03/93/509040393.db2.gz LRSNLOBDARFNRC-UHFFFAOYSA-N 1 3 360.506 2.574 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000132811908 509078454 /nfs/dbraw/zinc/07/84/54/509078454.db2.gz ZFUZNNWJSDULML-IRXDYDNUSA-N 1 3 373.497 2.795 20 0 FFADHO COCCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000132878161 509086128 /nfs/dbraw/zinc/08/61/28/509086128.db2.gz MTQBBSDZTBYRQA-ZWKOTPCHSA-N 1 3 362.514 2.863 20 0 FFADHO C[C@@H](NCC1CC[NH+](CCO)CC1)c1ccc(F)cc1Br ZINC000151818245 509089024 /nfs/dbraw/zinc/08/90/24/509089024.db2.gz XDWQDYDJUIXTFF-GFCCVEGCSA-N 1 3 359.283 2.943 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000151909186 509108235 /nfs/dbraw/zinc/10/82/35/509108235.db2.gz RKACPXIGZOBZIB-URVUXULASA-N 1 3 358.574 2.513 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000121299241 509164324 /nfs/dbraw/zinc/16/43/24/509164324.db2.gz OPPXNULCYAIUFG-OALUTQOASA-N 1 3 355.530 2.797 20 0 FFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000182335638 509181838 /nfs/dbraw/zinc/18/18/38/509181838.db2.gz GNSVFQSWKFCLGU-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000182335638 509181841 /nfs/dbraw/zinc/18/18/41/509181841.db2.gz GNSVFQSWKFCLGU-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@H]1c1ccccc1 ZINC000247992094 509210940 /nfs/dbraw/zinc/21/09/40/509210940.db2.gz JJRHZELMMRILAT-UAFMIMERSA-N 1 3 356.514 2.558 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@H]1c1ccccc1 ZINC000247992094 509210945 /nfs/dbraw/zinc/21/09/45/509210945.db2.gz JJRHZELMMRILAT-UAFMIMERSA-N 1 3 356.514 2.558 20 0 FFADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000179008070 509223268 /nfs/dbraw/zinc/22/32/68/509223268.db2.gz HPELTGWWCDPGTO-WMZOPIPTSA-N 1 3 369.431 2.509 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CN1C1CC1 ZINC000185620031 509269348 /nfs/dbraw/zinc/26/93/48/509269348.db2.gz SJHCGJWYGUIMFF-IRXDYDNUSA-N 1 3 350.551 2.956 20 0 FFADHO C[C@@H](NC[C@H](O)COc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661916 509291328 /nfs/dbraw/zinc/29/13/28/509291328.db2.gz QMZUASLJRPJMLD-RYRKJORJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H](NC[C@H](O)COc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661916 509291331 /nfs/dbraw/zinc/29/13/31/509291331.db2.gz QMZUASLJRPJMLD-RYRKJORJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000185661916 509291333 /nfs/dbraw/zinc/29/13/33/509291333.db2.gz QMZUASLJRPJMLD-RYRKJORJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000221566368 509309245 /nfs/dbraw/zinc/30/92/45/509309245.db2.gz JYZPVYOCBTUPEX-GUDVDZBRSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000221566368 509309250 /nfs/dbraw/zinc/30/92/50/509309250.db2.gz JYZPVYOCBTUPEX-GUDVDZBRSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185747073 509336075 /nfs/dbraw/zinc/33/60/75/509336075.db2.gz GKDWPCVKUOZKJW-DLBZAZTESA-N 1 3 369.509 2.915 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248587740 509379800 /nfs/dbraw/zinc/37/98/00/509379800.db2.gz QMZUASLJRPJMLD-XYJFISCASA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248587740 509379806 /nfs/dbraw/zinc/37/98/06/509379806.db2.gz QMZUASLJRPJMLD-XYJFISCASA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000248587740 509379812 /nfs/dbraw/zinc/37/98/12/509379812.db2.gz QMZUASLJRPJMLD-XYJFISCASA-N 1 3 350.478 2.808 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000163686813 509410449 /nfs/dbraw/zinc/41/04/49/509410449.db2.gz JODLVYFSIPPNRI-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000176278559 509418134 /nfs/dbraw/zinc/41/81/34/509418134.db2.gz YORJWGKITFRBTA-PMACEKPBSA-N 1 3 355.526 2.808 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1c1ccccc1 ZINC000176381820 509479562 /nfs/dbraw/zinc/47/95/62/509479562.db2.gz YFMWNRYOXIFYGH-DYESRHJHSA-N 1 3 370.541 2.948 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000176443981 509514561 /nfs/dbraw/zinc/51/45/61/509514561.db2.gz WLEWFAAGVARVBP-KSZLIROESA-N 1 3 350.551 2.765 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000176443981 509514570 /nfs/dbraw/zinc/51/45/70/509514570.db2.gz WLEWFAAGVARVBP-KSZLIROESA-N 1 3 350.551 2.765 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192439427 509518096 /nfs/dbraw/zinc/51/80/96/509518096.db2.gz JTXJFSVNOAETKH-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1 ZINC000236939752 509538066 /nfs/dbraw/zinc/53/80/66/509538066.db2.gz PELAYBNKFIZCHW-UHFFFAOYSA-N 1 3 370.501 2.605 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC3([NH3+])CCCCCC3)cc2)CC1 ZINC000236995188 509548080 /nfs/dbraw/zinc/54/80/80/509548080.db2.gz BYFQFKLLPWPHHL-UHFFFAOYSA-N 1 3 358.530 2.610 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCC[NH+]1CCCCC1 ZINC000176535121 509567826 /nfs/dbraw/zinc/56/78/26/509567826.db2.gz JDYJGDPHPDCHQA-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(-n2cnnn2)cc1 ZINC000183195584 509652701 /nfs/dbraw/zinc/65/27/01/509652701.db2.gz NXXJUYAQSNOJIL-XYJFISCASA-N 1 3 354.502 2.966 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C[C@H](c2ccccc2)C1 ZINC000168961474 509654603 /nfs/dbraw/zinc/65/46/03/509654603.db2.gz UXVCLRSORZXGTI-MDNUFGMLSA-N 1 3 373.585 2.939 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H]3CCCN3C)cc2)C1 ZINC000249732080 509746302 /nfs/dbraw/zinc/74/63/02/509746302.db2.gz BAJARLXHERYWEF-YLJYHZDGSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H]3CCCN3C)cc2)C1 ZINC000249732080 509746308 /nfs/dbraw/zinc/74/63/08/509746308.db2.gz BAJARLXHERYWEF-YLJYHZDGSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000173746679 509753237 /nfs/dbraw/zinc/75/32/37/509753237.db2.gz YKWDWWPWGDOCCB-NRFANRHFSA-N 1 3 368.525 2.615 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268114651 509764137 /nfs/dbraw/zinc/76/41/37/509764137.db2.gz DGCGXVHURKMORQ-JXFKEZNVSA-N 1 3 358.530 2.762 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000268115471 509764626 /nfs/dbraw/zinc/76/46/26/509764626.db2.gz KJDJKTBWHUKLKH-BELYLAKWSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000268115471 509764633 /nfs/dbraw/zinc/76/46/33/509764633.db2.gz KJDJKTBWHUKLKH-BELYLAKWSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H](N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ncc(Br)s1 ZINC000186564630 509774232 /nfs/dbraw/zinc/77/42/32/509774232.db2.gz WRBXVFZNDBGVEK-NWDGAFQWSA-N 1 3 361.353 2.582 20 0 FFADHO C[NH+](C)C1(CNC(=O)c2ccc(CN3CCCCC3)cc2)CCOCC1 ZINC000264999087 509815919 /nfs/dbraw/zinc/81/59/19/509815919.db2.gz IGECKGOYYRLKKK-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173881067 509831933 /nfs/dbraw/zinc/83/19/33/509831933.db2.gz FUHXHELXRDEOHA-SFHVURJKSA-N 1 3 369.509 2.871 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173881067 509831941 /nfs/dbraw/zinc/83/19/41/509831941.db2.gz FUHXHELXRDEOHA-SFHVURJKSA-N 1 3 369.509 2.871 20 0 FFADHO O=C1O[C@@H](CN2CCC(OCC[NH+]3CCCC3)CC2)CN1c1ccccc1 ZINC000173963391 509878995 /nfs/dbraw/zinc/87/89/95/509878995.db2.gz TUOXQLJMMTUKKY-FQEVSTJZSA-N 1 3 373.497 2.589 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173996454 509894821 /nfs/dbraw/zinc/89/48/21/509894821.db2.gz ZORQUJBXRWVYKK-PXNSSMCTSA-N 1 3 372.557 2.947 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000173996454 509894828 /nfs/dbraw/zinc/89/48/28/509894828.db2.gz ZORQUJBXRWVYKK-PXNSSMCTSA-N 1 3 372.557 2.947 20 0 FFADHO c1ccc(CN2CCO[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261579416 509994490 /nfs/dbraw/zinc/99/44/90/509994490.db2.gz DVCUOKZFCHOXRI-CIAFKFPVSA-N 1 3 357.542 2.788 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000265353215 510008428 /nfs/dbraw/zinc/00/84/28/510008428.db2.gz XWFFVKZUEZFLIQ-SFHVURJKSA-N 1 3 361.530 2.821 20 0 FFADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000261670904 510021751 /nfs/dbraw/zinc/02/17/51/510021751.db2.gz ACTZBXLDBIUANT-ZWKOTPCHSA-N 1 3 369.431 2.638 20 0 FFADHO C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171275496 510049236 /nfs/dbraw/zinc/04/92/36/510049236.db2.gz BFIDHFWGKJIDCJ-APAFKAMOSA-N 1 3 365.562 2.596 20 0 FFADHO C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171275496 510049242 /nfs/dbraw/zinc/04/92/42/510049242.db2.gz BFIDHFWGKJIDCJ-APAFKAMOSA-N 1 3 365.562 2.596 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)[C@H](N)C2CCOCC2)CCCC1)c1ccccc1 ZINC000261770091 510058263 /nfs/dbraw/zinc/05/82/63/510058263.db2.gz MFVFZUXDKXGDRV-QFBILLFUSA-N 1 3 359.514 2.520 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245664472 510071244 /nfs/dbraw/zinc/07/12/44/510071244.db2.gz GKOITZIDHAHLRO-XBYSBRQOSA-N 1 3 370.585 2.798 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261829527 510081482 /nfs/dbraw/zinc/08/14/82/510081482.db2.gz KXMSFDPMKFXEEB-RDJZCZTQSA-N 1 3 369.431 2.786 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261846736 510087543 /nfs/dbraw/zinc/08/75/43/510087543.db2.gz MCXDRQZORLVJMH-FXAWDEMLSA-N 1 3 357.542 2.965 20 0 FFADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000174455250 510123253 /nfs/dbraw/zinc/12/32/53/510123253.db2.gz CVVMNFDCEBZUSN-GOSISDBHSA-N 1 3 374.554 2.616 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261970097 510132406 /nfs/dbraw/zinc/13/24/06/510132406.db2.gz QFBFFIGYYMCQQI-CTNGQTDRSA-N 1 3 371.525 2.556 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000262024815 510150989 /nfs/dbraw/zinc/15/09/89/510150989.db2.gz JCZUZCRUZDDSQR-IBGZPJMESA-N 1 3 361.505 2.886 20 0 FFADHO FC(F)(F)COc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262037191 510156652 /nfs/dbraw/zinc/15/66/52/510156652.db2.gz YBAOFNFIIAGUAS-XHSDSOJGSA-N 1 3 358.404 2.874 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000187290657 510174595 /nfs/dbraw/zinc/17/45/95/510174595.db2.gz HBRQLMFCCZEWEX-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)CC(C)C ZINC000245877701 510183447 /nfs/dbraw/zinc/18/34/47/510183447.db2.gz ARVNPAWLGYRKEG-CEXWTWQISA-N 1 3 352.567 2.869 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cccc(C(F)F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262121388 510183776 /nfs/dbraw/zinc/18/37/76/510183776.db2.gz CCKMXOMZGAKTDC-WBVHZDCISA-N 1 3 351.441 2.704 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177687230 510199214 /nfs/dbraw/zinc/19/92/14/510199214.db2.gz BORJCINQFHBONT-PMACEKPBSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177687230 510199222 /nfs/dbraw/zinc/19/92/22/510199222.db2.gz BORJCINQFHBONT-PMACEKPBSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245921313 510206645 /nfs/dbraw/zinc/20/66/45/510206645.db2.gz GLQKJLHPSGHUMG-DLBZAZTESA-N 1 3 361.534 2.637 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245921313 510206654 /nfs/dbraw/zinc/20/66/54/510206654.db2.gz GLQKJLHPSGHUMG-DLBZAZTESA-N 1 3 361.534 2.637 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000177852713 510289942 /nfs/dbraw/zinc/28/99/42/510289942.db2.gz UCBOTFJYONAWLU-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000177852713 510289950 /nfs/dbraw/zinc/28/99/50/510289950.db2.gz UCBOTFJYONAWLU-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000177856212 510290974 /nfs/dbraw/zinc/29/09/74/510290974.db2.gz STLLHBZKVOWMPD-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000177856212 510290979 /nfs/dbraw/zinc/29/09/79/510290979.db2.gz STLLHBZKVOWMPD-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH2+]CCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262470599 510291992 /nfs/dbraw/zinc/29/19/92/510291992.db2.gz YHPNEOLLXXQOTF-WMLDXEAASA-N 1 3 357.420 2.814 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](CN)c3ccccc3)cc2)CC1 ZINC000269282737 510323134 /nfs/dbraw/zinc/32/31/34/510323134.db2.gz GTJATINCCGAYLA-HXUWFJFHSA-N 1 3 352.482 2.510 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](CN)c3ccccc3)cc2)CC1 ZINC000269282737 510323142 /nfs/dbraw/zinc/32/31/42/510323142.db2.gz GTJATINCCGAYLA-HXUWFJFHSA-N 1 3 352.482 2.510 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)CC2 ZINC000246177344 510340719 /nfs/dbraw/zinc/34/07/19/510340719.db2.gz LPUXSYUMSVHOSR-MKXGPGLRSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)CC2 ZINC000246177344 510340727 /nfs/dbraw/zinc/34/07/27/510340727.db2.gz LPUXSYUMSVHOSR-MKXGPGLRSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)Cn2cc(Br)cn2)C1 ZINC000246266814 510398165 /nfs/dbraw/zinc/39/81/65/510398165.db2.gz AGNSESBBQGEVGJ-HUUCEWRRSA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)Cn2cc(Br)cn2)C1 ZINC000246266814 510398156 /nfs/dbraw/zinc/39/81/56/510398156.db2.gz AGNSESBBQGEVGJ-HUUCEWRRSA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)C1 ZINC000246266814 510398169 /nfs/dbraw/zinc/39/81/69/510398169.db2.gz AGNSESBBQGEVGJ-HUUCEWRRSA-N 1 3 357.340 2.992 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246310125 510420763 /nfs/dbraw/zinc/42/07/63/510420763.db2.gz BEJLTIGWEIHMEH-QRVBRYPASA-N 1 3 350.551 2.623 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246310125 510420768 /nfs/dbraw/zinc/42/07/68/510420768.db2.gz BEJLTIGWEIHMEH-QRVBRYPASA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000262817423 510425711 /nfs/dbraw/zinc/42/57/11/510425711.db2.gz XBIULDAJEOZLNG-UHFFFAOYSA-N 1 3 367.493 2.940 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262887243 510459827 /nfs/dbraw/zinc/45/98/27/510459827.db2.gz ZQCLXQNVQJGKSX-UYAOXDASSA-N 1 3 369.513 2.621 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(OCCN(C)C)cc1 ZINC000178190021 510480149 /nfs/dbraw/zinc/48/01/49/510480149.db2.gz ATSPRBAZRDJNAG-IEBWSBKVSA-N 1 3 369.513 2.737 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(OCCN(C)C)c1 ZINC000178192013 510481543 /nfs/dbraw/zinc/48/15/43/510481543.db2.gz KCOGIGJFSBWQFT-HKUYNNGSSA-N 1 3 369.513 2.737 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000184751417 510499591 /nfs/dbraw/zinc/49/95/91/510499591.db2.gz RZGNURJQRCYOES-HUUCEWRRSA-N 1 3 371.447 2.753 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1(C)C ZINC000188123820 510606958 /nfs/dbraw/zinc/60/69/58/510606958.db2.gz KSSHGFSVSYMURQ-WIYYLYMNSA-N 1 3 361.530 2.676 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1(C)C ZINC000188123820 510606963 /nfs/dbraw/zinc/60/69/63/510606963.db2.gz KSSHGFSVSYMURQ-WIYYLYMNSA-N 1 3 361.530 2.676 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)cc1 ZINC000263272252 510639676 /nfs/dbraw/zinc/63/96/76/510639676.db2.gz SKAOGKSTRLXHRM-IRLDBZIGSA-N 1 3 373.541 2.931 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000246754851 510656402 /nfs/dbraw/zinc/65/64/02/510656402.db2.gz HJUZXCOOQNHTAK-HKBOAZHASA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000246754851 510656410 /nfs/dbraw/zinc/65/64/10/510656410.db2.gz HJUZXCOOQNHTAK-HKBOAZHASA-N 1 3 370.541 2.777 20 0 FFADHO Cc1nc2ccccc2cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195205316 510717066 /nfs/dbraw/zinc/71/70/66/510717066.db2.gz MSKPZPNKLLAUPW-UHFFFAOYSA-N 1 3 366.509 2.832 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000185170351 510724999 /nfs/dbraw/zinc/72/49/99/510724999.db2.gz JOXIERIPWNSKDK-UHFFFAOYSA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000191573532 510731229 /nfs/dbraw/zinc/73/12/29/510731229.db2.gz XYNCZZFIOAIBPU-UHFFFAOYSA-N 1 3 372.601 2.999 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000191573532 510731235 /nfs/dbraw/zinc/73/12/35/510731235.db2.gz XYNCZZFIOAIBPU-UHFFFAOYSA-N 1 3 372.601 2.999 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C[C@H](C)O1 ZINC000246897372 510732741 /nfs/dbraw/zinc/73/27/41/510732741.db2.gz FEEFSFYSASJCFL-ITTUMRLJSA-N 1 3 374.573 2.771 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C[C@@H](C)O1 ZINC000246897387 510733049 /nfs/dbraw/zinc/73/30/49/510733049.db2.gz FEEFSFYSASJCFL-NXLVEIQXSA-N 1 3 374.573 2.771 20 0 FFADHO CN(C(=O)[C@@H](C[NH3+])c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000178767366 510761997 /nfs/dbraw/zinc/76/19/97/510761997.db2.gz WPZJZFDREKJIEH-NRFANRHFSA-N 1 3 351.494 2.852 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172512814 510763322 /nfs/dbraw/zinc/76/33/22/510763322.db2.gz PYHZHRDTVAXPBV-FQEVSTJZSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172512814 510763326 /nfs/dbraw/zinc/76/33/26/510763326.db2.gz PYHZHRDTVAXPBV-FQEVSTJZSA-N 1 3 358.530 2.949 20 0 FFADHO [NH3+]C[C@@H](C(=O)NCC1(N2CCSCC2)CCCCC1)c1ccccc1 ZINC000178795686 510776526 /nfs/dbraw/zinc/77/65/26/510776526.db2.gz SPHUSORKYNVFJU-GOSISDBHSA-N 1 3 361.555 2.597 20 0 FFADHO C[C@H](CCNC(=O)NCC1CCN(c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000182139503 510777122 /nfs/dbraw/zinc/77/71/22/510777122.db2.gz CRDPHLBJPRFAQU-GOSISDBHSA-N 1 3 373.545 2.862 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCc4c3cccc4F)CC2)CC1 ZINC000263680776 510785740 /nfs/dbraw/zinc/78/57/40/510785740.db2.gz DQNTVJCTQGPBSG-FQEVSTJZSA-N 1 3 374.504 2.671 20 0 FFADHO Cc1nc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2o1 ZINC000195342294 510792996 /nfs/dbraw/zinc/79/29/96/510792996.db2.gz QAAOPOOCJGEIOQ-UHFFFAOYSA-N 1 3 371.485 2.816 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000263699912 510798595 /nfs/dbraw/zinc/79/85/95/510798595.db2.gz OOHOMQPSBKXNFN-FQEVSTJZSA-N 1 3 373.545 2.562 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000263699912 510798599 /nfs/dbraw/zinc/79/85/99/510798599.db2.gz OOHOMQPSBKXNFN-FQEVSTJZSA-N 1 3 373.545 2.562 20 0 FFADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000263744753 510822388 /nfs/dbraw/zinc/82/23/88/510822388.db2.gz OTQVJSWQZIAVEZ-HXUWFJFHSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](CS(C)(=O)=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000182331328 510851133 /nfs/dbraw/zinc/85/11/33/510851133.db2.gz MIEZEJCNNAGTFE-INIZCTEOSA-N 1 3 360.523 2.938 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000247301757 510856222 /nfs/dbraw/zinc/85/62/22/510856222.db2.gz VBKHGEVGDFBDRF-NHCUHLMSSA-N 1 3 372.557 2.534 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000247301757 510856223 /nfs/dbraw/zinc/85/62/23/510856223.db2.gz VBKHGEVGDFBDRF-NHCUHLMSSA-N 1 3 372.557 2.534 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@@H](CN4CCCCC4)C3)c2cc1C ZINC000247475541 510862261 /nfs/dbraw/zinc/86/22/61/510862261.db2.gz JQOLXMIKPASFAC-PMACEKPBSA-N 1 3 370.541 2.822 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@@H](CN4CCCCC4)C3)c2cc1C ZINC000247475541 510862262 /nfs/dbraw/zinc/86/22/62/510862262.db2.gz JQOLXMIKPASFAC-PMACEKPBSA-N 1 3 370.541 2.822 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000285477593 510922271 /nfs/dbraw/zinc/92/22/71/510922271.db2.gz BOAMWMIIRVCYPL-NQIIRXRSSA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000297409490 510934922 /nfs/dbraw/zinc/93/49/22/510934922.db2.gz YFMAJSMTYPSCMS-OAQYLSRUSA-N 1 3 358.530 2.766 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000297409490 510934925 /nfs/dbraw/zinc/93/49/25/510934925.db2.gz YFMAJSMTYPSCMS-OAQYLSRUSA-N 1 3 358.530 2.766 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000297551611 510987776 /nfs/dbraw/zinc/98/77/76/510987776.db2.gz PIHZJPOYLRVSBG-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000297551611 510987779 /nfs/dbraw/zinc/98/77/79/510987779.db2.gz PIHZJPOYLRVSBG-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO COCCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282473216 510992400 /nfs/dbraw/zinc/99/24/00/510992400.db2.gz WKIQRTJJGHEDDR-IBGZPJMESA-N 1 3 351.510 2.909 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000285660415 510999356 /nfs/dbraw/zinc/99/93/56/510999356.db2.gz HMVSPFIPNHNJMG-WMZOPIPTSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000285660415 510999359 /nfs/dbraw/zinc/99/93/59/510999359.db2.gz HMVSPFIPNHNJMG-WMZOPIPTSA-N 1 3 359.514 2.506 20 0 FFADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297592279 511000834 /nfs/dbraw/zinc/00/08/34/511000834.db2.gz JHRMGKONFSBSKL-QGZVFWFLSA-N 1 3 373.522 2.811 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297641724 511019715 /nfs/dbraw/zinc/01/97/15/511019715.db2.gz VCLVDVONDJMFJF-YQQQUEKLSA-N 1 3 362.493 2.524 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297641724 511019719 /nfs/dbraw/zinc/01/97/19/511019719.db2.gz VCLVDVONDJMFJF-YQQQUEKLSA-N 1 3 362.493 2.524 20 0 FFADHO CCOc1ccc(NC(=O)CNC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297681090 511031772 /nfs/dbraw/zinc/03/17/72/511031772.db2.gz PEFWLUYARPCTRG-UHFFFAOYSA-N 1 3 354.454 2.677 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000270957367 511036984 /nfs/dbraw/zinc/03/69/84/511036984.db2.gz UMTFXHDLLAVESJ-UHFFFAOYSA-N 1 3 367.541 2.863 20 0 FFADHO C[NH+]1CCC2(CCCN2C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000362351637 511176996 /nfs/dbraw/zinc/17/69/96/511176996.db2.gz KWIZFSWMKIOVIJ-UHFFFAOYSA-N 1 3 370.541 2.705 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H](CN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000283097146 511233718 /nfs/dbraw/zinc/23/37/18/511233718.db2.gz LOWSGCJOHCJLDV-WOJBJXKFSA-N 1 3 355.526 2.957 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000283097146 511233723 /nfs/dbraw/zinc/23/37/23/511233723.db2.gz LOWSGCJOHCJLDV-WOJBJXKFSA-N 1 3 355.526 2.957 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000283097146 511233726 /nfs/dbraw/zinc/23/37/26/511233726.db2.gz LOWSGCJOHCJLDV-WOJBJXKFSA-N 1 3 355.526 2.957 20 0 FFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OC ZINC000279849348 511239853 /nfs/dbraw/zinc/23/98/53/511239853.db2.gz IEXNCERMICTPJK-IAGOWNOFSA-N 1 3 363.546 2.811 20 0 FFADHO OC[C@@H](C[C@H](O)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000271560230 511246289 /nfs/dbraw/zinc/24/62/89/511246289.db2.gz WRNKWSGHCKYIJP-YADHBBJMSA-N 1 3 354.494 2.725 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000363065292 511331269 /nfs/dbraw/zinc/33/12/69/511331269.db2.gz XAUGBRJFNGHIPM-IBGZPJMESA-N 1 3 361.505 2.838 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc21 ZINC000283359592 511336175 /nfs/dbraw/zinc/33/61/75/511336175.db2.gz NBXJMMQTBJSPNJ-NHCUHLMSSA-N 1 3 373.541 2.784 20 0 FFADHO C[C@@H]1C[C@@H](NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[C@@H](C)O1 ZINC000295270941 511344564 /nfs/dbraw/zinc/34/45/64/511344564.db2.gz VQQLOWANFYIINJ-CBGDNZLLSA-N 1 3 362.514 2.832 20 0 FFADHO C[C@@H]1C[C@@H](NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@@H](C)O1 ZINC000295270941 511344570 /nfs/dbraw/zinc/34/45/70/511344570.db2.gz VQQLOWANFYIINJ-CBGDNZLLSA-N 1 3 362.514 2.832 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280148418 511353521 /nfs/dbraw/zinc/35/35/21/511353521.db2.gz FBWOVUSOSUOMSA-MSOLQXFVSA-N 1 3 363.546 2.813 20 0 FFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cccc(F)c1Br ZINC000295297113 511353464 /nfs/dbraw/zinc/35/34/64/511353464.db2.gz XHSYCODRZPGLFK-CQSZACIVSA-N 1 3 359.283 2.915 20 0 FFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cccc(F)c1Br ZINC000295297113 511353468 /nfs/dbraw/zinc/35/34/68/511353468.db2.gz XHSYCODRZPGLFK-CQSZACIVSA-N 1 3 359.283 2.915 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000333782510 511354246 /nfs/dbraw/zinc/35/42/46/511354246.db2.gz DXPGVDNOUBZKGS-VWPQPMDRSA-N 1 3 370.541 2.812 20 0 FFADHO CN1CC=C(C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000271879898 511356854 /nfs/dbraw/zinc/35/68/54/511356854.db2.gz PEPKTBOWRANQIF-ZWKOTPCHSA-N 1 3 367.493 2.835 20 0 FFADHO CCOC(=O)Nc1ccc2c(C[NH2+]C3CCN(CC)CC3)cc(=O)oc2c1 ZINC000271888190 511359601 /nfs/dbraw/zinc/35/96/01/511359601.db2.gz GJLUFXCLTGDYAD-UHFFFAOYSA-N 1 3 373.453 2.935 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000333950023 511401336 /nfs/dbraw/zinc/40/13/36/511401336.db2.gz XUDKXLZOZJCRTD-YSIASYRMSA-N 1 3 370.541 2.511 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000333950024 511401536 /nfs/dbraw/zinc/40/15/36/511401536.db2.gz XUDKXLZOZJCRTD-YZGWKJHDSA-N 1 3 370.541 2.511 20 0 FFADHO COc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)cc1C ZINC000280486496 511484257 /nfs/dbraw/zinc/48/42/57/511484257.db2.gz KZBWSIXVXXILNF-UHFFFAOYSA-N 1 3 374.529 2.992 20 0 FFADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000283839500 511518720 /nfs/dbraw/zinc/51/87/20/511518720.db2.gz AWSXJQWGODZZEA-MOPGFXCFSA-N 1 3 352.544 2.974 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000363428409 511545626 /nfs/dbraw/zinc/54/56/26/511545626.db2.gz XNXASGVGDSXZQC-FQEVSTJZSA-N 1 3 360.546 2.687 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000280897751 511645935 /nfs/dbraw/zinc/64/59/35/511645935.db2.gz CEERQJBXNLEIGM-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000292781335 511718006 /nfs/dbraw/zinc/71/80/06/511718006.db2.gz GYYIOKLWTGLHME-TZIWHRDSSA-N 1 3 356.514 2.561 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000292781335 511718010 /nfs/dbraw/zinc/71/80/10/511718010.db2.gz GYYIOKLWTGLHME-TZIWHRDSSA-N 1 3 356.514 2.561 20 0 FFADHO Ic1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000310963743 511775055 /nfs/dbraw/zinc/77/50/55/511775055.db2.gz FEFPSABVINEFCS-CYBMUJFWSA-N 1 3 356.251 2.865 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000281146394 511737911 /nfs/dbraw/zinc/73/79/11/511737911.db2.gz AYKRLMWTGKGJJD-GOSISDBHSA-N 1 3 373.545 2.734 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000303524912 511741680 /nfs/dbraw/zinc/74/16/80/511741680.db2.gz ZWGISOUFHBSOEK-MOPGFXCFSA-N 1 3 360.546 2.928 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000366034833 511799762 /nfs/dbraw/zinc/79/97/62/511799762.db2.gz SOQGBZRQSZPHJV-HXUWFJFHSA-N 1 3 366.594 2.516 20 0 FFADHO CN1CCN(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1(C)C ZINC000293238550 511893010 /nfs/dbraw/zinc/89/30/10/511893010.db2.gz BEJJDMCQFRUDGI-FXAWDEMLSA-N 1 3 363.521 2.909 20 0 FFADHO COC[C@@H]1CCCCN(CC2(C[N@@H+]3CCCC[C@@H](COC)C3)COC2)C1 ZINC000364150343 511985628 /nfs/dbraw/zinc/98/56/28/511985628.db2.gz NNYVGPNAUNEBQA-WOJBJXKFSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@@H]1CCCCN(CC2(C[N@H+]3CCCC[C@@H](COC)C3)COC2)C1 ZINC000364150343 511985635 /nfs/dbraw/zinc/98/56/35/511985635.db2.gz NNYVGPNAUNEBQA-WOJBJXKFSA-N 1 3 368.562 2.500 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274936577 511992627 /nfs/dbraw/zinc/99/26/27/511992627.db2.gz SDDQTUQKTGGAFX-GIWBLDEGSA-N 1 3 372.601 2.760 20 0 FFADHO CCn1cc(CCN(C)[C@@H]2CCC[N@H+](CCc3cnn(CC)c3)CC2)cn1 ZINC000375672176 512448534 /nfs/dbraw/zinc/44/85/34/512448534.db2.gz MASVCSMDWKWMIH-OAQYLSRUSA-N 1 3 372.561 2.691 20 0 FFADHO CCn1cc(CCN(C)[C@@H]2CCC[N@@H+](CCc3cnn(CC)c3)CC2)cn1 ZINC000375672176 512448537 /nfs/dbraw/zinc/44/85/37/512448537.db2.gz MASVCSMDWKWMIH-OAQYLSRUSA-N 1 3 372.561 2.691 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cn1 ZINC000375719753 512471443 /nfs/dbraw/zinc/47/14/43/512471443.db2.gz OUGVSWCPAYOLHI-MXEMCNAFSA-N 1 3 365.525 2.784 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cn1 ZINC000375719753 512471446 /nfs/dbraw/zinc/47/14/46/512471446.db2.gz OUGVSWCPAYOLHI-MXEMCNAFSA-N 1 3 365.525 2.784 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367408731 512485764 /nfs/dbraw/zinc/48/57/64/512485764.db2.gz YKWNJQKAAASYAA-GHTZIAJQSA-N 1 3 359.489 2.640 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000375891685 512556494 /nfs/dbraw/zinc/55/64/94/512556494.db2.gz WNBAXDCQLPURDB-ATIWLJMLSA-N 1 3 367.534 2.521 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375891685 512556497 /nfs/dbraw/zinc/55/64/97/512556497.db2.gz WNBAXDCQLPURDB-ATIWLJMLSA-N 1 3 367.534 2.521 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375891685 512556500 /nfs/dbraw/zinc/55/65/00/512556500.db2.gz WNBAXDCQLPURDB-ATIWLJMLSA-N 1 3 367.534 2.521 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000367690614 512617349 /nfs/dbraw/zinc/61/73/49/512617349.db2.gz UPJBNMRNXYHKGV-HNNXBMFYSA-N 1 3 374.451 2.833 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000378186410 512630019 /nfs/dbraw/zinc/63/00/19/512630019.db2.gz CFNJXHNMRBLGNB-LJQANCHMSA-N 1 3 354.498 2.966 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cn2)C[C@H](C)O1 ZINC000367759681 512650936 /nfs/dbraw/zinc/65/09/36/512650936.db2.gz ZFJXWWBIZAOGMR-KRFUXDQASA-N 1 3 358.530 2.658 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cn2)C[C@H](C)O1 ZINC000367759681 512650942 /nfs/dbraw/zinc/65/09/42/512650942.db2.gz ZFJXWWBIZAOGMR-KRFUXDQASA-N 1 3 358.530 2.658 20 0 FFADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cn2)C[C@H](C)O1 ZINC000367759681 512650947 /nfs/dbraw/zinc/65/09/47/512650947.db2.gz ZFJXWWBIZAOGMR-KRFUXDQASA-N 1 3 358.530 2.658 20 0 FFADHO COc1ccc([C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000411486656 512658901 /nfs/dbraw/zinc/65/89/01/512658901.db2.gz HVXVFORNOHKPTB-OAQYLSRUSA-N 1 3 359.514 2.725 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000372066842 512701250 /nfs/dbraw/zinc/70/12/50/512701250.db2.gz QMNJOMYPMASKQD-GIWBLDEGSA-N 1 3 372.601 2.760 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374278087 512741749 /nfs/dbraw/zinc/74/17/49/512741749.db2.gz OJMXQIHLGBCRLX-RBBKRZOGSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374278087 512741751 /nfs/dbraw/zinc/74/17/51/512741751.db2.gz OJMXQIHLGBCRLX-RBBKRZOGSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411718148 512777441 /nfs/dbraw/zinc/77/74/41/512777441.db2.gz KKGLCZCHOZBZCX-UGKGYDQZSA-N 1 3 357.542 2.968 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378530278 512810405 /nfs/dbraw/zinc/81/04/05/512810405.db2.gz QINXJXQKGOPBAF-ZIBCJSCZSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378530278 512810409 /nfs/dbraw/zinc/81/04/09/512810409.db2.gz QINXJXQKGOPBAF-ZIBCJSCZSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000411795153 512815914 /nfs/dbraw/zinc/81/59/14/512815914.db2.gz JTIQPLOKNKZAHC-VQTJNVASSA-N 1 3 373.541 2.811 20 0 FFADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000388344659 512895399 /nfs/dbraw/zinc/89/53/99/512895399.db2.gz YUEFEPXYTMEOOE-LEWJYISDSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388344659 512895404 /nfs/dbraw/zinc/89/54/04/512895404.db2.gz YUEFEPXYTMEOOE-LEWJYISDSA-N 1 3 354.494 2.846 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C12CCC2 ZINC000397529900 512948035 /nfs/dbraw/zinc/94/80/35/512948035.db2.gz YSVGHYGLYWYAHQ-PMACEKPBSA-N 1 3 358.526 2.951 20 0 FFADHO COc1ccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000397629868 512948916 /nfs/dbraw/zinc/94/89/16/512948916.db2.gz MUAOWHDEDGOILO-UHFFFAOYSA-N 1 3 370.493 2.821 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)COc1ccccc1 ZINC000398111280 512955423 /nfs/dbraw/zinc/95/54/23/512955423.db2.gz DDYAJXGMEPRDRK-SYYKKAFVSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)COc1ccccc1 ZINC000398111280 512955426 /nfs/dbraw/zinc/95/54/26/512955426.db2.gz DDYAJXGMEPRDRK-SYYKKAFVSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412094664 512957517 /nfs/dbraw/zinc/95/75/17/512957517.db2.gz SMWVTJYOMJVMSC-YHBROIRLSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412094664 512957519 /nfs/dbraw/zinc/95/75/19/512957519.db2.gz SMWVTJYOMJVMSC-YHBROIRLSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@@H](CO)CCCN1Cc1ccccc1C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412094664 512957524 /nfs/dbraw/zinc/95/75/24/512957524.db2.gz SMWVTJYOMJVMSC-YHBROIRLSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@@H](CO)CCCN1Cc1ccccc1C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412094664 512957525 /nfs/dbraw/zinc/95/75/25/512957525.db2.gz SMWVTJYOMJVMSC-YHBROIRLSA-N 1 3 360.542 2.872 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000368522022 512985679 /nfs/dbraw/zinc/98/56/79/512985679.db2.gz KLKLNBGCHOMDEZ-HXUWFJFHSA-N 1 3 371.525 2.561 20 0 FFADHO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1OC ZINC000370624028 513019505 /nfs/dbraw/zinc/01/95/05/513019505.db2.gz FXAVQBHWAWGREH-DLBZAZTESA-N 1 3 361.530 2.831 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000417635229 513127422 /nfs/dbraw/zinc/12/74/22/513127422.db2.gz WGQIBLNFRCQHQH-WZGPROSRSA-N 1 3 358.530 2.803 20 0 FFADHO C[C@@H](O)CN1CCC(C[N@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450367932 513161215 /nfs/dbraw/zinc/16/12/15/513161215.db2.gz YCLDKUPJCNJBJY-MRXNPFEDSA-N 1 3 350.478 2.813 20 0 FFADHO C[C@@H](O)CN1CCC(C[N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450367932 513161220 /nfs/dbraw/zinc/16/12/20/513161220.db2.gz YCLDKUPJCNJBJY-MRXNPFEDSA-N 1 3 350.478 2.813 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560646 513162398 /nfs/dbraw/zinc/16/23/98/513162398.db2.gz QKXRNTXXBZZSCU-GOSISDBHSA-N 1 3 351.466 2.619 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417692538 513165443 /nfs/dbraw/zinc/16/54/43/513165443.db2.gz YQRRLSWQDPBAFR-FXAWDEMLSA-N 1 3 372.557 2.758 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417692166 513165472 /nfs/dbraw/zinc/16/54/72/513165472.db2.gz NYRLOTVCEHZGOV-MBOZVWFJSA-N 1 3 358.530 2.981 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000417692908 513165682 /nfs/dbraw/zinc/16/56/82/513165682.db2.gz YVHVRIDJMDSZNT-UXPWSPDFSA-N 1 3 372.557 2.838 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000417698360 513168502 /nfs/dbraw/zinc/16/85/02/513168502.db2.gz XTPVMCJGFUCSEQ-QZTJIDSGSA-N 1 3 358.530 2.982 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000433924334 513188377 /nfs/dbraw/zinc/18/83/77/513188377.db2.gz QFJQDXKXRFNWRI-IBGZPJMESA-N 1 3 350.551 2.959 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccs1 ZINC000417738247 513188951 /nfs/dbraw/zinc/18/89/51/513188951.db2.gz OPVGXUDSGYEFIU-CBZIJGRNSA-N 1 3 362.543 2.667 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417741112 513189903 /nfs/dbraw/zinc/18/99/03/513189903.db2.gz TUFAMFDQHVYCNG-ZBFHGGJFSA-N 1 3 352.548 2.757 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000417741459 513190134 /nfs/dbraw/zinc/19/01/34/513190134.db2.gz ULXBELPAHXADLJ-SOLBZPMBSA-N 1 3 364.559 2.962 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccccc3C(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000417741600 513190391 /nfs/dbraw/zinc/19/03/91/513190391.db2.gz AJMYIJRXRLOBBV-HDICACEKSA-N 1 3 373.541 2.710 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccccc3C(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000417741600 513190397 /nfs/dbraw/zinc/19/03/97/513190397.db2.gz AJMYIJRXRLOBBV-HDICACEKSA-N 1 3 373.541 2.710 20 0 FFADHO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415302967 513194745 /nfs/dbraw/zinc/19/47/45/513194745.db2.gz DCFFTZOSYQJTDL-UHFFFAOYSA-N 1 3 358.486 2.593 20 0 FFADHO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415305674 513196311 /nfs/dbraw/zinc/19/63/11/513196311.db2.gz HLGWRCLPFXWSRD-QGZVFWFLSA-N 1 3 360.502 2.672 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417818400 513220878 /nfs/dbraw/zinc/22/08/78/513220878.db2.gz FIZJSNCTOCUKMU-UXPWSPDFSA-N 1 3 358.530 2.714 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000417827893 513224584 /nfs/dbraw/zinc/22/45/84/513224584.db2.gz PTZKYWNBNUGHHK-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cc(OC)cc(OC)c3)CC2)CC1 ZINC000421367031 513238512 /nfs/dbraw/zinc/23/85/12/513238512.db2.gz DJQXUIFXRJSNTL-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CN1Cc1ccccc1 ZINC000417865302 513246436 /nfs/dbraw/zinc/24/64/36/513246436.db2.gz CITVWBPKLNLBHA-AZUAARDMSA-N 1 3 370.541 2.825 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c2)CC1 ZINC000415507583 513299528 /nfs/dbraw/zinc/29/95/28/513299528.db2.gz VYKXJOOYFVAVRX-LJQANCHMSA-N 1 3 361.534 2.666 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)[C@H]1c1ccccc1 ZINC000417953778 513303327 /nfs/dbraw/zinc/30/33/27/513303327.db2.gz ZJUZHODPYHUADW-WOJBJXKFSA-N 1 3 358.530 2.982 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000415568214 513332511 /nfs/dbraw/zinc/33/25/11/513332511.db2.gz KOFXZLQSIMTTHY-RBUKOAKNSA-N 1 3 352.482 2.749 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418038677 513346651 /nfs/dbraw/zinc/34/66/51/513346651.db2.gz SPDYYKJYEGYFPX-PMACEKPBSA-N 1 3 358.530 2.679 20 0 FFADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418102882 513372328 /nfs/dbraw/zinc/37/23/28/513372328.db2.gz HYTQOGGUFHDQAH-CTNGQTDRSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418102886 513372481 /nfs/dbraw/zinc/37/24/81/513372481.db2.gz HYTQOGGUFHDQAH-FPOVZHCZSA-N 1 3 370.541 2.682 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418132583 513385615 /nfs/dbraw/zinc/38/56/15/513385615.db2.gz DURBXXBLOBFWFY-DOIPELPJSA-N 1 3 370.541 2.584 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000418147671 513390799 /nfs/dbraw/zinc/39/07/99/513390799.db2.gz QUJMIDFYISNZKB-MISYRCLQSA-N 1 3 358.530 2.714 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000418148160 513391615 /nfs/dbraw/zinc/39/16/15/513391615.db2.gz RAFDKVKXSJTOJG-IFMALSPDSA-N 1 3 370.541 2.682 20 0 FFADHO CC1(C)CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCN1 ZINC000418151193 513392159 /nfs/dbraw/zinc/39/21/59/513392159.db2.gz FFGCRZJATBPYGW-GOSISDBHSA-N 1 3 358.530 2.681 20 0 FFADHO CC1(C)CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCN1 ZINC000418151193 513392167 /nfs/dbraw/zinc/39/21/67/513392167.db2.gz FFGCRZJATBPYGW-GOSISDBHSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccco1 ZINC000418170630 513403491 /nfs/dbraw/zinc/40/34/91/513403491.db2.gz SKMJHIFKECUJDB-JQHSSLGASA-N 1 3 362.518 2.882 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000418179794 513407143 /nfs/dbraw/zinc/40/71/43/513407143.db2.gz XQJXATGWUUKILJ-UHFFFAOYSA-N 1 3 362.562 2.818 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H](c1ccccc1)N(C)C ZINC000418178483 513407544 /nfs/dbraw/zinc/40/75/44/513407544.db2.gz IXKRKZARMMQWOI-FRYIKTPZSA-N 1 3 358.530 2.709 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000418187121 513412278 /nfs/dbraw/zinc/41/22/78/513412278.db2.gz CXDSTSIADCYSJP-UWPGDLITSA-N 1 3 356.514 2.574 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)C)cc1 ZINC000418203963 513420785 /nfs/dbraw/zinc/42/07/85/513420785.db2.gz KYDACKYXVBOYKN-GOSISDBHSA-N 1 3 364.534 2.703 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)N(C)C)cc1 ZINC000418226219 513430257 /nfs/dbraw/zinc/43/02/57/513430257.db2.gz ASHHIKKCMVXIRI-ZWKOTPCHSA-N 1 3 364.559 2.828 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000418229930 513431606 /nfs/dbraw/zinc/43/16/06/513431606.db2.gz IIYBROCNOWIBGS-PBHICJAKSA-N 1 3 352.548 2.828 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418228302 513431669 /nfs/dbraw/zinc/43/16/69/513431669.db2.gz DQMQJAIJLRNBKF-KYJSFNMBSA-N 1 3 364.559 2.699 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418228305 513432240 /nfs/dbraw/zinc/43/22/40/513432240.db2.gz DQMQJAIJLRNBKF-ZVZYQTTQSA-N 1 3 364.559 2.699 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000418232475 513433635 /nfs/dbraw/zinc/43/36/35/513433635.db2.gz MQLCCAPKOINICE-HFTRVMKXSA-N 1 3 364.559 2.828 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCC1 ZINC000418236142 513434538 /nfs/dbraw/zinc/43/45/38/513434538.db2.gz BAMSRVNNFKMVRV-IBGZPJMESA-N 1 3 358.530 2.873 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000418236481 513434865 /nfs/dbraw/zinc/43/48/65/513434865.db2.gz BNSHYZFLCIVSCD-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)N(C)C)cc1 ZINC000418239099 513436848 /nfs/dbraw/zinc/43/68/48/513436848.db2.gz YGINDRYAVGDFDA-MAUKXSAKSA-N 1 3 364.559 2.782 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCC1 ZINC000418238970 513436881 /nfs/dbraw/zinc/43/68/81/513436881.db2.gz GGEQBQJKPKCBBN-IBGZPJMESA-N 1 3 356.514 2.577 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCCC2=CC[NH2+]CC2)N(C)C)cc1 ZINC000418239612 513437046 /nfs/dbraw/zinc/43/70/46/513437046.db2.gz YQUASHXBISDBIN-SFHVURJKSA-N 1 3 362.543 2.620 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Cl)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000421824113 513445871 /nfs/dbraw/zinc/44/58/71/513445871.db2.gz HDBBLKDTWDRHDS-DZGCQCFKSA-N 1 3 355.885 2.587 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Cl)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000421824113 513445879 /nfs/dbraw/zinc/44/58/79/513445879.db2.gz HDBBLKDTWDRHDS-DZGCQCFKSA-N 1 3 355.885 2.587 20 0 FFADHO CCN(C(=O)NCCC[NH2+]C1CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418282281 513451329 /nfs/dbraw/zinc/45/13/29/513451329.db2.gz GVHVRFXBYSUPBJ-XLIONFOSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](NC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418308219 513457412 /nfs/dbraw/zinc/45/74/12/513457412.db2.gz FSGSCAAATAZZPF-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418347331 513475550 /nfs/dbraw/zinc/47/55/50/513475550.db2.gz NMOHJOJAOHDDRF-MRXNPFEDSA-N 1 3 366.937 2.803 20 0 FFADHO C[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418356203 513480718 /nfs/dbraw/zinc/48/07/18/513480718.db2.gz XWQZKWBKNWDMOC-RBUKOAKNSA-N 1 3 358.530 2.682 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H](C[NH3+])C1CCCCC1)Cc1ccco1 ZINC000418357452 513481267 /nfs/dbraw/zinc/48/12/67/513481267.db2.gz HROOTDYAVGCJLC-GOSISDBHSA-N 1 3 350.507 2.651 20 0 FFADHO C[NH2+]C[C@H](C)CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418358980 513481717 /nfs/dbraw/zinc/48/17/17/513481717.db2.gz JABHBIKIOWUQTR-GHTZIAJQSA-N 1 3 358.530 2.540 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418370140 513486832 /nfs/dbraw/zinc/48/68/32/513486832.db2.gz VIFNPIHTSVBMAC-LJQANCHMSA-N 1 3 364.509 2.807 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000415937319 513488527 /nfs/dbraw/zinc/48/85/27/513488527.db2.gz NBTDHCQOVFCCPH-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000418379123 513490506 /nfs/dbraw/zinc/49/05/06/513490506.db2.gz VXXHRVUZNAIURR-VIQWUECVSA-N 1 3 350.551 2.528 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)CN1Cc1ccccc1 ZINC000415947772 513494006 /nfs/dbraw/zinc/49/40/06/513494006.db2.gz SPHISCSUFFEBRY-APWZRJJASA-N 1 3 368.481 2.809 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000415955756 513497612 /nfs/dbraw/zinc/49/76/12/513497612.db2.gz KIIOIJYTEGGAQE-UHFFFAOYSA-N 1 3 356.470 2.750 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418412683 513499049 /nfs/dbraw/zinc/49/90/49/513499049.db2.gz YBDRBTVBKRLQFZ-INIZCTEOSA-N 1 3 372.435 2.516 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000415973721 513509929 /nfs/dbraw/zinc/50/99/29/513509929.db2.gz NGESOEILAIGFKN-INIZCTEOSA-N 1 3 360.502 2.802 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000415973721 513509936 /nfs/dbraw/zinc/50/99/36/513509936.db2.gz NGESOEILAIGFKN-INIZCTEOSA-N 1 3 360.502 2.802 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ncccc2C[NH3+])N(C)C)cc1 ZINC000415983616 513516649 /nfs/dbraw/zinc/51/66/49/513516649.db2.gz AHOPUYUCWRJWER-GOSISDBHSA-N 1 3 371.485 2.752 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000418465993 513522319 /nfs/dbraw/zinc/52/23/19/513522319.db2.gz NMWWABWQKOZHDN-RBUKOAKNSA-N 1 3 361.534 2.595 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000418499270 513535378 /nfs/dbraw/zinc/53/53/78/513535378.db2.gz LXYCTFYGOYAYPF-YSGRDPCXSA-N 1 3 354.498 2.964 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000418499270 513535385 /nfs/dbraw/zinc/53/53/85/513535385.db2.gz LXYCTFYGOYAYPF-YSGRDPCXSA-N 1 3 354.498 2.964 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1(C)C ZINC000441339359 513545297 /nfs/dbraw/zinc/54/52/97/513545297.db2.gz HIBUUQSABVKMHD-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(-c2ccccn2)nc1 ZINC000425422489 513556410 /nfs/dbraw/zinc/55/64/10/513556410.db2.gz PCOHYEKDMRCUOI-UHFFFAOYSA-N 1 3 353.514 2.601 20 0 FFADHO CN(Cc1ccccc1N(C)C1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435378909 513570235 /nfs/dbraw/zinc/57/02/35/513570235.db2.gz GYJPSTPYZPHKRV-PMSBKCLSSA-N 1 3 356.558 2.932 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430205947 513588485 /nfs/dbraw/zinc/58/84/85/513588485.db2.gz VAPQLIVRDUVBMB-OAQYLSRUSA-N 1 3 358.530 2.778 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430205947 513588494 /nfs/dbraw/zinc/58/84/94/513588494.db2.gz VAPQLIVRDUVBMB-OAQYLSRUSA-N 1 3 358.530 2.778 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418648445 513591904 /nfs/dbraw/zinc/59/19/04/513591904.db2.gz ZJVGVFGPLQTLQO-UYAOXDASSA-N 1 3 356.514 2.533 20 0 FFADHO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418650377 513593244 /nfs/dbraw/zinc/59/32/44/513593244.db2.gz XKNZJHVVXKPHOG-HXUWFJFHSA-N 1 3 356.514 2.602 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418652681 513594750 /nfs/dbraw/zinc/59/47/50/513594750.db2.gz NFDUPCRLRGTTIW-HXUWFJFHSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)C[C@H]1CCCN1C ZINC000422179557 513620906 /nfs/dbraw/zinc/62/09/06/513620906.db2.gz DUUGISOUTFCNGY-JYRKZWEQSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)C[C@H]1CCCN1C ZINC000422179557 513620911 /nfs/dbraw/zinc/62/09/11/513620911.db2.gz DUUGISOUTFCNGY-JYRKZWEQSA-N 1 3 372.557 2.879 20 0 FFADHO CN1C[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000416184934 513631014 /nfs/dbraw/zinc/63/10/14/513631014.db2.gz RGAADQATQLRAOB-PCCBWWKXSA-N 1 3 351.494 2.893 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000447982704 513647198 /nfs/dbraw/zinc/64/71/98/513647198.db2.gz MOESKDUPDFCZTF-GOSISDBHSA-N 1 3 352.567 2.918 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418807037 513662842 /nfs/dbraw/zinc/66/28/42/513662842.db2.gz YVHINDPRNRBOCK-HSALFYBXSA-N 1 3 358.530 2.668 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425650439 513679780 /nfs/dbraw/zinc/67/97/80/513679780.db2.gz KCZGKINBMRPVOU-FXAWDEMLSA-N 1 3 374.529 2.965 20 0 FFADHO COc1cc(NC(=O)CCN2CCC[C@H]([C@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000430555239 513685863 /nfs/dbraw/zinc/68/58/63/513685863.db2.gz HVIGNIINMLQKGN-STQMWFEESA-N 1 3 369.893 2.745 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCC[C@H]1C ZINC000448201039 513704876 /nfs/dbraw/zinc/70/48/76/513704876.db2.gz RIJLQPLCQNZXPM-FTEYMNFISA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCC[C@H]1C ZINC000448201039 513704885 /nfs/dbraw/zinc/70/48/85/513704885.db2.gz RIJLQPLCQNZXPM-FTEYMNFISA-N 1 3 362.562 2.908 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000448222828 513712383 /nfs/dbraw/zinc/71/23/83/513712383.db2.gz LUVUEOKQNPORLZ-RBUKOAKNSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000448222828 513712387 /nfs/dbraw/zinc/71/23/87/513712387.db2.gz LUVUEOKQNPORLZ-RBUKOAKNSA-N 1 3 352.567 2.774 20 0 FFADHO [NH3+]C[C@@H]1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430646363 513712519 /nfs/dbraw/zinc/71/25/19/513712519.db2.gz PCCUPYNFCJDYBA-SFHVURJKSA-N 1 3 351.494 2.953 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000430675997 513719114 /nfs/dbraw/zinc/71/91/14/513719114.db2.gz BYPAFOYJIVEXID-SJLPKXTDSA-N 1 3 359.514 2.608 20 0 FFADHO C[C@@H](CC(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000430707026 513729735 /nfs/dbraw/zinc/72/97/35/513729735.db2.gz OSLFSHAKNCRFJO-ICSRJNTNSA-N 1 3 373.541 2.803 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000430775119 513745336 /nfs/dbraw/zinc/74/53/36/513745336.db2.gz IUYBDTAVHLIQGN-SFTDATJTSA-N 1 3 373.541 2.557 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)CC(F)(F)F ZINC000413738581 513793877 /nfs/dbraw/zinc/79/38/77/513793877.db2.gz ASWLJPGUFCPYLT-LSDHHAIUSA-N 1 3 366.472 2.632 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)CC(F)(F)F ZINC000413738581 513793885 /nfs/dbraw/zinc/79/38/85/513793885.db2.gz ASWLJPGUFCPYLT-LSDHHAIUSA-N 1 3 366.472 2.632 20 0 FFADHO O=C(N1CCN2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442972576 513833241 /nfs/dbraw/zinc/83/32/41/513833241.db2.gz YNKFGSBDOWWMCA-RZUBCFFCSA-N 1 3 353.510 2.595 20 0 FFADHO O=C(N1CCN2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442972576 513833244 /nfs/dbraw/zinc/83/32/44/513833244.db2.gz YNKFGSBDOWWMCA-RZUBCFFCSA-N 1 3 353.510 2.595 20 0 FFADHO C[NH+](C)CCOCCNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000419675507 513880378 /nfs/dbraw/zinc/88/03/78/513880378.db2.gz AHZRXRKRBIJCGL-UHFFFAOYSA-N 1 3 357.502 2.728 20 0 FFADHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(OC)c1OC ZINC000422703984 513906454 /nfs/dbraw/zinc/90/64/54/513906454.db2.gz OJQCCKJCHMTACR-CRAIPNDOSA-N 1 3 358.482 2.803 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443232909 513907648 /nfs/dbraw/zinc/90/76/48/513907648.db2.gz XZRCSRGEQOONAI-HKUYNNGSSA-N 1 3 360.546 2.927 20 0 FFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])N1CCCCC1 ZINC000422717976 513912978 /nfs/dbraw/zinc/91/29/78/513912978.db2.gz WNILCGLLVBGZRJ-AFYVEPGGSA-N 1 3 361.530 2.564 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)COc1ccc(F)c(F)c1 ZINC000422743446 513920186 /nfs/dbraw/zinc/92/01/86/513920186.db2.gz RIOOBUBJWBRVGV-OPGCRTJHSA-N 1 3 354.441 2.605 20 0 FFADHO CN(CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422766248 513925514 /nfs/dbraw/zinc/92/55/14/513925514.db2.gz RBXKDFSJMCPHQJ-RBBKRZOGSA-N 1 3 351.494 2.964 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762429 513926268 /nfs/dbraw/zinc/92/62/68/513926268.db2.gz NPICIBTWTHOENO-QGTPRVQTSA-N 1 3 352.906 2.730 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762429 513926271 /nfs/dbraw/zinc/92/62/71/513926271.db2.gz NPICIBTWTHOENO-QGTPRVQTSA-N 1 3 352.906 2.730 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422769636 513927383 /nfs/dbraw/zinc/92/73/83/513927383.db2.gz VVEYFSJMCYTHSD-PEYYIBSZSA-N 1 3 359.283 2.863 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCCc1ccc(Br)cc1F ZINC000422769636 513927386 /nfs/dbraw/zinc/92/73/86/513927386.db2.gz VVEYFSJMCYTHSD-PEYYIBSZSA-N 1 3 359.283 2.863 20 0 FFADHO CC[C@H]([NH2+]CCN1CCc2cc(OC)c(OC)cc2C1)[C@@H]1CCCCN1 ZINC000422769895 513927591 /nfs/dbraw/zinc/92/75/91/513927591.db2.gz UJJDPBGMUKLTTK-OALUTQOASA-N 1 3 361.530 2.572 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000422806134 513939362 /nfs/dbraw/zinc/93/93/62/513939362.db2.gz KFGIRFPLZLMZGZ-IPELMVKDSA-N 1 3 351.922 2.820 20 0 FFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422839712 513947478 /nfs/dbraw/zinc/94/74/78/513947478.db2.gz AEZYFORVRIMDSY-VQTJNVASSA-N 1 3 372.557 2.626 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(CN)nc3C)CC2)nc(C)n1 ZINC000422837077 513947918 /nfs/dbraw/zinc/94/79/18/513947918.db2.gz LGMSUJQRWFIDJM-CQSZACIVSA-N 1 3 354.502 2.575 20 0 FFADHO [NH3+]CC1CCC(NCc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000422841924 513948321 /nfs/dbraw/zinc/94/83/21/513948321.db2.gz XHSMPBWYICSXGQ-UHFFFAOYSA-N 1 3 358.511 2.680 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CN1CCCCC1 ZINC000414071066 513964187 /nfs/dbraw/zinc/96/41/87/513964187.db2.gz LOVCDDTUFMOQDM-GJZGRUSLSA-N 1 3 370.335 2.711 20 0 FFADHO C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C1CNC1 ZINC000422890006 513966739 /nfs/dbraw/zinc/96/67/39/513966739.db2.gz HHBHKCMMOHUMIY-CYBMUJFWSA-N 1 3 352.320 2.611 20 0 FFADHO C[C@@H](NC1CCN(Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000422890006 513966743 /nfs/dbraw/zinc/96/67/43/513966743.db2.gz HHBHKCMMOHUMIY-CYBMUJFWSA-N 1 3 352.320 2.611 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1ccc(C(F)(F)F)cc1 ZINC000422903823 513971037 /nfs/dbraw/zinc/97/10/37/513971037.db2.gz WQYZJSUEYAWJOC-VDHUWJSZSA-N 1 3 372.431 2.955 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1ccc(C(F)(F)F)cc1 ZINC000422903820 513971498 /nfs/dbraw/zinc/97/14/98/513971498.db2.gz WQYZJSUEYAWJOC-BZZMCLGOSA-N 1 3 372.431 2.955 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431699365 513973036 /nfs/dbraw/zinc/97/30/36/513973036.db2.gz QJFJHEPOQSVRGC-YFVAEKQCSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431699365 513973043 /nfs/dbraw/zinc/97/30/43/513973043.db2.gz QJFJHEPOQSVRGC-YFVAEKQCSA-N 1 3 370.541 2.918 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2c(F)cccc2OC(F)F)CC[NH2+]CC1 ZINC000422916452 513975819 /nfs/dbraw/zinc/97/58/19/513975819.db2.gz APZASOZNXZHLLE-GFCCVEGCSA-N 1 3 374.403 2.838 20 0 FFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422942851 513984967 /nfs/dbraw/zinc/98/49/67/513984967.db2.gz KSSCXVHCXNQYTN-JKIFEVAISA-N 1 3 352.320 2.992 20 0 FFADHO COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CCC[C@H]3CN)n2)ccc1O ZINC000422984930 513999028 /nfs/dbraw/zinc/99/90/28/513999028.db2.gz BOYZCFQFWQPMEV-JKSUJKDBSA-N 1 3 374.485 2.881 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)N(C)C)cc1 ZINC000416845200 513999146 /nfs/dbraw/zinc/99/91/46/513999146.db2.gz RIAMNRYPOGPFJH-XUVXKRRUSA-N 1 3 358.530 2.539 20 0 FFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(OC(F)(F)F)cc1 ZINC000422992563 514001683 /nfs/dbraw/zinc/00/16/83/514001683.db2.gz RJXLETVKAFHGNW-JZWPEALZSA-N 1 3 358.404 2.609 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416849244 514001773 /nfs/dbraw/zinc/00/17/73/514001773.db2.gz XPZGPYLQLCUZIN-HOTGVXAUSA-N 1 3 350.532 2.574 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414185612 514001850 /nfs/dbraw/zinc/00/18/50/514001850.db2.gz GUEGUJPTXSPBAM-YADHBBJMSA-N 1 3 371.569 2.784 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000431800223 514006374 /nfs/dbraw/zinc/00/63/74/514006374.db2.gz ODLJPFLOCOOHFO-SFTDATJTSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000431800223 514006382 /nfs/dbraw/zinc/00/63/82/514006382.db2.gz ODLJPFLOCOOHFO-SFTDATJTSA-N 1 3 373.541 2.524 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CN1Cc1ccccc1 ZINC000423011542 514007269 /nfs/dbraw/zinc/00/72/69/514007269.db2.gz JCYORIRYFFVDQU-PLACYPQZSA-N 1 3 355.526 2.936 20 0 FFADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000443638630 514008989 /nfs/dbraw/zinc/00/89/89/514008989.db2.gz AULWPGPXSPAZCQ-TYPHKJRUSA-N 1 3 357.542 2.858 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)(N2CCOCC2)CC1 ZINC000414199175 514009222 /nfs/dbraw/zinc/00/92/22/514009222.db2.gz QVDISQSDDMVAPY-VXKWHMMOSA-N 1 3 371.569 2.784 20 0 FFADHO COc1ccc(C[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000423022907 514010960 /nfs/dbraw/zinc/01/09/60/514010960.db2.gz INQLXHPUZSNXOP-WZGPROSRSA-N 1 3 362.514 2.629 20 0 FFADHO O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]C2CCNCC2)CC1 ZINC000423046354 514018340 /nfs/dbraw/zinc/01/83/40/514018340.db2.gz DJEPYNFJXGWNPE-UHFFFAOYSA-N 1 3 355.404 2.652 20 0 FFADHO Cc1cccc(C[C@H](CO)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423053586 514019634 /nfs/dbraw/zinc/01/96/34/514019634.db2.gz ATUWELIMZYQMMQ-KAGYGMCKSA-N 1 3 352.478 2.744 20 0 FFADHO C[C@]1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423058809 514022810 /nfs/dbraw/zinc/02/28/10/514022810.db2.gz DEZAFVFVHODCTA-CIAFKFPVSA-N 1 3 357.542 2.788 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423075393 514028780 /nfs/dbraw/zinc/02/87/80/514028780.db2.gz OLAHFVHNKRRRFD-KMFMINBZSA-N 1 3 355.320 2.707 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074544 514029212 /nfs/dbraw/zinc/02/92/12/514029212.db2.gz MAMBETYBMNURPC-IYJAJMOOSA-N 1 3 366.427 2.803 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000414272175 514029487 /nfs/dbraw/zinc/02/94/87/514029487.db2.gz RNKANFGOOMEKOG-WSWWRLHASA-N 1 3 359.558 2.843 20 0 FFADHO N[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000416903688 514037963 /nfs/dbraw/zinc/03/79/63/514037963.db2.gz NRNUTZRLUFNSCB-HXUWFJFHSA-N 1 3 352.482 2.782 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(I)cc1 ZINC000423106787 514044589 /nfs/dbraw/zinc/04/45/89/514044589.db2.gz DGMFSLRDYNCSEC-IUODEOHRSA-N 1 3 374.266 2.648 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2nccn2-c2ccccc2)CC[NH2+]CC1 ZINC000423128253 514052050 /nfs/dbraw/zinc/05/20/50/514052050.db2.gz PZQDAPQPNVAPLQ-DLBZAZTESA-N 1 3 370.497 2.844 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423130016 514053358 /nfs/dbraw/zinc/05/33/58/514053358.db2.gz XWGBNPMYHZMDKT-NJZAAPMLSA-N 1 3 366.303 2.815 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000423141615 514057876 /nfs/dbraw/zinc/05/78/76/514057876.db2.gz QWQVRHTWJCLGKM-NBCNXNJRSA-N 1 3 372.509 2.545 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@@H]2CN)cc1Br ZINC000423149841 514061254 /nfs/dbraw/zinc/06/12/54/514061254.db2.gz BAOXFXHCVKGYDA-ZMSDIMECSA-N 1 3 355.320 2.626 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000423149841 514061260 /nfs/dbraw/zinc/06/12/60/514061260.db2.gz BAOXFXHCVKGYDA-ZMSDIMECSA-N 1 3 355.320 2.626 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423152968 514061578 /nfs/dbraw/zinc/06/15/78/514061578.db2.gz GRKZTHAVKPTYTN-IGCXYCKISA-N 1 3 373.310 2.846 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000423152968 514061581 /nfs/dbraw/zinc/06/15/81/514061581.db2.gz GRKZTHAVKPTYTN-IGCXYCKISA-N 1 3 373.310 2.846 20 0 FFADHO C[C@@H]1C[C@H](CCNCc2cnc(N(C)C)n2C)C[N@@H+]1Cc1ccccc1 ZINC000414365541 514067388 /nfs/dbraw/zinc/06/73/88/514067388.db2.gz MCOMRQVLZBRHEF-MJGOQNOKSA-N 1 3 355.530 2.876 20 0 FFADHO C[C@@H]1C[C@H](CCNCc2cnc(N(C)C)n2C)C[N@H+]1Cc1ccccc1 ZINC000414365541 514067391 /nfs/dbraw/zinc/06/73/91/514067391.db2.gz MCOMRQVLZBRHEF-MJGOQNOKSA-N 1 3 355.530 2.876 20 0 FFADHO CC[NH2+]CCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416961414 514069449 /nfs/dbraw/zinc/06/94/49/514069449.db2.gz PJEQXGJJQAKXKL-UHFFFAOYSA-N 1 3 354.498 2.824 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416970260 514076124 /nfs/dbraw/zinc/07/61/24/514076124.db2.gz DPTHLXDWPKOAJN-AZUAARDMSA-N 1 3 358.530 2.510 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416971400 514077410 /nfs/dbraw/zinc/07/74/10/514077410.db2.gz GRFPVRFTWYSUTK-HXUWFJFHSA-N 1 3 360.546 2.708 20 0 FFADHO C[C@H]([NH3+])C1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000420297128 514078898 /nfs/dbraw/zinc/07/88/98/514078898.db2.gz QXEOSVRRCGQEMR-SCLBCKFNSA-N 1 3 351.441 2.515 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@H]21 ZINC000420302034 514079581 /nfs/dbraw/zinc/07/95/81/514079581.db2.gz FRDDAWUEWAELST-AZFSHXRASA-N 1 3 363.452 2.515 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000416974394 514079946 /nfs/dbraw/zinc/07/99/46/514079946.db2.gz LEKAXBJBYHNRSL-GOSISDBHSA-N 1 3 358.530 2.600 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000420302492 514080326 /nfs/dbraw/zinc/08/03/26/514080326.db2.gz MIVKUBCPKPLPSA-NRFANRHFSA-N 1 3 353.510 2.945 20 0 FFADHO COc1cc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc2ccccc21 ZINC000449133805 514087129 /nfs/dbraw/zinc/08/71/29/514087129.db2.gz FMRORNNNJDYOAW-SFHVURJKSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@@H](Nc1ccc(N2CCNCC2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423231483 514087308 /nfs/dbraw/zinc/08/73/08/514087308.db2.gz LHDNVXTUKBYFMW-QUCCMNQESA-N 1 3 365.525 2.814 20 0 FFADHO C[C@@H](Nc1ccc(N2CCNCC2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423231483 514087316 /nfs/dbraw/zinc/08/73/16/514087316.db2.gz LHDNVXTUKBYFMW-QUCCMNQESA-N 1 3 365.525 2.814 20 0 FFADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323997 514094401 /nfs/dbraw/zinc/09/44/01/514094401.db2.gz AKMZBPHCMHYKOS-UIFIKXQLSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340466 514101477 /nfs/dbraw/zinc/10/14/77/514101477.db2.gz PKMVMWCESIAOHA-RYQLBKOJSA-N 1 3 355.482 2.884 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccsc1 ZINC000417011350 514117015 /nfs/dbraw/zinc/11/70/15/514117015.db2.gz RRQRZELJOOMBDZ-KSZLIROESA-N 1 3 364.559 2.818 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)[C@H]1CC[NH2+]C1 ZINC000417013256 514118179 /nfs/dbraw/zinc/11/81/79/514118179.db2.gz YMXDATFAVPQKRU-DLBZAZTESA-N 1 3 352.548 2.915 20 0 FFADHO CN1CCN(CCCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449218057 514118670 /nfs/dbraw/zinc/11/86/70/514118670.db2.gz FAZFLMXXYSZWKC-UHFFFAOYSA-N 1 3 352.611 2.893 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417014244 514119251 /nfs/dbraw/zinc/11/92/51/514119251.db2.gz CXWWMSQEMHJXCP-OAQYLSRUSA-N 1 3 370.541 2.608 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417015436 514121004 /nfs/dbraw/zinc/12/10/04/514121004.db2.gz MJOAQKJMHNJPIZ-UNMCSNQZSA-N 1 3 370.541 2.608 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417015429 514121110 /nfs/dbraw/zinc/12/11/10/514121110.db2.gz MJOAQKJMHNJPIZ-IFMALSPDSA-N 1 3 370.541 2.608 20 0 FFADHO CC[C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000417015526 514121270 /nfs/dbraw/zinc/12/12/70/514121270.db2.gz MQIMNBYIVVPBII-VQTJNVASSA-N 1 3 358.530 2.655 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423376372 514122429 /nfs/dbraw/zinc/12/24/29/514122429.db2.gz DNCQGMBGDIOQEM-NVXWUHKLSA-N 1 3 357.420 2.634 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444166699 514140373 /nfs/dbraw/zinc/14/03/73/514140373.db2.gz KHWRDNBESPJBEU-DXIQSLLYSA-N 1 3 355.526 2.575 20 0 FFADHO CC(C)[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414486910 514145263 /nfs/dbraw/zinc/14/52/63/514145263.db2.gz RKGNLPYOXQVANG-NRFANRHFSA-N 1 3 359.558 2.812 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000417060166 514147650 /nfs/dbraw/zinc/14/76/50/514147650.db2.gz CYGOHSPQXKACDD-UHFFFAOYSA-N 1 3 370.541 2.701 20 0 FFADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423520234 514158929 /nfs/dbraw/zinc/15/89/29/514158929.db2.gz DYVAJQISUZOUFK-CLDVSUFZSA-N 1 3 369.553 2.867 20 0 FFADHO CC(C)(CNC(=O)N[C@H](C[NH3+])C1CCCC1)N1CCc2ccccc2C1 ZINC000417088816 514162552 /nfs/dbraw/zinc/16/25/52/514162552.db2.gz LUAJTTITYTVFLC-LJQANCHMSA-N 1 3 358.530 2.640 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000444264914 514173125 /nfs/dbraw/zinc/17/31/25/514173125.db2.gz DWTOPTNRCRNUBT-BMFZPTHFSA-N 1 3 355.404 2.566 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000427328902 514184228 /nfs/dbraw/zinc/18/42/28/514184228.db2.gz IRLABWFHDNPTDZ-GOSISDBHSA-N 1 3 373.541 2.803 20 0 FFADHO CCOC(=O)Cn1nc(C)c(CN2CCC(C[NH+](CC)CC)CC2)c1C ZINC000437578063 514186044 /nfs/dbraw/zinc/18/60/44/514186044.db2.gz FOEBNPKDQOYFMJ-UHFFFAOYSA-N 1 3 364.534 2.617 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCN2CCCO)CC1 ZINC000449389803 514191005 /nfs/dbraw/zinc/19/10/05/514191005.db2.gz UCNJXFNOEKJSKT-SIKLNZKXSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000417203721 514229648 /nfs/dbraw/zinc/22/96/48/514229648.db2.gz YZWLTNXSEKQAIF-JXFKEZNVSA-N 1 3 354.498 2.678 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000417215879 514236185 /nfs/dbraw/zinc/23/61/85/514236185.db2.gz ODDIXZSBNKDKFJ-NJDAHSKKSA-N 1 3 370.541 2.711 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)C1 ZINC000414700238 514248895 /nfs/dbraw/zinc/24/88/95/514248895.db2.gz FXDQKMLMQMWDRX-SFTDATJTSA-N 1 3 357.542 2.919 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)C1 ZINC000414700238 514248898 /nfs/dbraw/zinc/24/88/98/514248898.db2.gz FXDQKMLMQMWDRX-SFTDATJTSA-N 1 3 357.542 2.919 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000414704905 514249825 /nfs/dbraw/zinc/24/98/25/514249825.db2.gz KBLRZCBULLTAON-AWEZNQCLSA-N 1 3 369.431 2.872 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714156 514253140 /nfs/dbraw/zinc/25/31/40/514253140.db2.gz XJBJVZNRCBLRKS-ARFHVFGLSA-N 1 3 351.922 2.961 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714156 514253144 /nfs/dbraw/zinc/25/31/44/514253144.db2.gz XJBJVZNRCBLRKS-ARFHVFGLSA-N 1 3 351.922 2.961 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](CCc2cccc(F)c2)C2CCCC2)C1 ZINC000414741761 514266802 /nfs/dbraw/zinc/26/68/02/514266802.db2.gz FRENJRNXZSWDCK-GOSISDBHSA-N 1 3 361.505 2.810 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCc2cccc(F)c2)C2CCCC2)C1 ZINC000414741761 514266811 /nfs/dbraw/zinc/26/68/11/514266811.db2.gz FRENJRNXZSWDCK-GOSISDBHSA-N 1 3 361.505 2.810 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417291210 514277586 /nfs/dbraw/zinc/27/75/86/514277586.db2.gz ABJVLRVSQDGXGF-JKSUJKDBSA-N 1 3 372.435 2.831 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000420753796 514279726 /nfs/dbraw/zinc/27/97/26/514279726.db2.gz AGEQFQYGRWDSFU-SOAGJPPSSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000423898170 514281071 /nfs/dbraw/zinc/28/10/71/514281071.db2.gz PFZZTHMBBUTRLH-OALUTQOASA-N 1 3 361.530 2.973 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417302470 514284367 /nfs/dbraw/zinc/28/43/67/514284367.db2.gz WIHDUACKFSAGSV-DOMZBBRYSA-N 1 3 360.424 2.735 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000420776797 514291777 /nfs/dbraw/zinc/29/17/77/514291777.db2.gz GBASZLIIOHNMCU-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000420776797 514291783 /nfs/dbraw/zinc/29/17/83/514291783.db2.gz GBASZLIIOHNMCU-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417320827 514293532 /nfs/dbraw/zinc/29/35/32/514293532.db2.gz AREMIWMQFUFXTP-NUJGCVRESA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@H](C)CN1 ZINC000417352832 514306320 /nfs/dbraw/zinc/30/63/20/514306320.db2.gz HFFWVSKYFYVNSM-QZTJIDSGSA-N 1 3 358.530 2.954 20 0 FFADHO COc1cc(Br)c(CNCC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414850307 514323398 /nfs/dbraw/zinc/32/33/98/514323398.db2.gz MMWQNJSVLPLDFM-LBPRGKRZSA-N 1 3 357.292 2.946 20 0 FFADHO COC[C@@]1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCN1 ZINC000414949118 514370471 /nfs/dbraw/zinc/37/04/71/514370471.db2.gz YVQLNEXKDNUALZ-IBGZPJMESA-N 1 3 369.912 2.802 20 0 FFADHO COc1ccc2cc(CNC[C@H](N3CC[NH2+]CC3)C(F)(F)F)ccc2c1 ZINC000414965520 514379174 /nfs/dbraw/zinc/37/91/74/514379174.db2.gz DAVIVOMSHUKBHX-SFHVURJKSA-N 1 3 367.415 2.774 20 0 FFADHO COCC1(CNCc2cc(OC)ccc2Br)CC[NH2+]CC1 ZINC000414968294 514380131 /nfs/dbraw/zinc/38/01/31/514380131.db2.gz DWALIHBAPYFEQJ-UHFFFAOYSA-N 1 3 357.292 2.564 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000420929065 514382444 /nfs/dbraw/zinc/38/24/44/514382444.db2.gz CGMKAFGUNWFUMZ-FYYLOGMGSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000420929065 514382449 /nfs/dbraw/zinc/38/24/49/514382449.db2.gz CGMKAFGUNWFUMZ-FYYLOGMGSA-N 1 3 369.553 2.968 20 0 FFADHO Cc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C(F)(F)F ZINC000414977842 514384393 /nfs/dbraw/zinc/38/43/93/514384393.db2.gz SDBRLUOOMWDFHJ-AWEZNQCLSA-N 1 3 369.353 2.940 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417534001 514396379 /nfs/dbraw/zinc/39/63/79/514396379.db2.gz NKJZBFYEFXSJRQ-RDGPPVDQSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[C@@H](C[NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000433153419 514400978 /nfs/dbraw/zinc/40/09/78/514400978.db2.gz WACOATJOMQECRG-GOSISDBHSA-N 1 3 367.921 2.530 20 0 FFADHO Cc1cnc([C@@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000428205798 514423028 /nfs/dbraw/zinc/42/30/28/514423028.db2.gz IWDGCYRDUHCQMM-GOSISDBHSA-N 1 3 359.562 2.974 20 0 FFADHO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415069188 514426857 /nfs/dbraw/zinc/42/68/57/514426857.db2.gz OHOKFXHSLJFPOC-LJQANCHMSA-N 1 3 364.559 2.773 20 0 FFADHO CC(C)CN1CCC([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000428242117 514430862 /nfs/dbraw/zinc/43/08/62/514430862.db2.gz GWUQVMSKCKGJST-CQSZACIVSA-N 1 3 370.335 2.709 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(c1ccccc1)c1ccccc1 ZINC000415081477 514434182 /nfs/dbraw/zinc/43/41/82/514434182.db2.gz CDLXPZNTCZZULF-RBUKOAKNSA-N 1 3 365.521 2.994 20 0 FFADHO COc1ccccc1[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415093778 514440924 /nfs/dbraw/zinc/44/09/24/514440924.db2.gz VXHOMFLHPHFXIA-VGSWGCGISA-N 1 3 367.493 2.572 20 0 FFADHO CCCN(C(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000417624639 514442027 /nfs/dbraw/zinc/44/20/27/514442027.db2.gz KXCAKLOMKIZTJG-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)N(C)Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000424283237 514445943 /nfs/dbraw/zinc/44/59/43/514445943.db2.gz BCXAKLIBZFKLQF-AWEZNQCLSA-N 1 3 367.896 2.902 20 0 FFADHO Cc1cc(C)cc(OCCN(C)C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424298060 514450817 /nfs/dbraw/zinc/45/08/17/514450817.db2.gz TVKKWRQQOQAERE-LJQANCHMSA-N 1 3 373.541 2.605 20 0 FFADHO COc1ccc(OC)c(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000415127503 514455792 /nfs/dbraw/zinc/45/57/92/514455792.db2.gz IISUTTUXBJLOAN-UHFFFAOYSA-N 1 3 369.509 2.787 20 0 FFADHO CCc1nn(C)c(CC)c1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415133807 514459831 /nfs/dbraw/zinc/45/98/31/514459831.db2.gz NRCLNRQIOISCOT-UHFFFAOYSA-N 1 3 369.557 2.628 20 0 FFADHO [NH3+]CC1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000415139681 514464307 /nfs/dbraw/zinc/46/43/07/514464307.db2.gz IYKVKQZCDFHNIQ-UHFFFAOYSA-N 1 3 368.506 2.886 20 0 FFADHO CC(=O)Nc1ccccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415140999 514465000 /nfs/dbraw/zinc/46/50/00/514465000.db2.gz ZZAVOLUPFKDTQF-UHFFFAOYSA-N 1 3 366.509 2.728 20 0 FFADHO [NH3+]CC1(O)CCN(Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000415141891 514466345 /nfs/dbraw/zinc/46/63/45/514466345.db2.gz OCSWQQCOLIEZMB-UHFFFAOYSA-N 1 3 354.494 2.984 20 0 FFADHO [NH3+]CC1(O)CCN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000415143115 514467448 /nfs/dbraw/zinc/46/74/48/514467448.db2.gz RLQSHYFWEPUGJF-UHFFFAOYSA-N 1 3 373.884 2.878 20 0 FFADHO [NH3+]CC1(O)CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000415145173 514468737 /nfs/dbraw/zinc/46/87/37/514468737.db2.gz VWPVUDSCKJVEHD-UHFFFAOYSA-N 1 3 354.498 2.511 20 0 FFADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1cccs1)Cc1ccccc1 ZINC000439175065 514504532 /nfs/dbraw/zinc/50/45/32/514504532.db2.gz CEHUEQXVYZDBQT-UHFFFAOYSA-N 1 3 374.554 2.953 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000465939682 514526104 /nfs/dbraw/zinc/52/61/04/514526104.db2.gz XLWSVSOMEKNKDV-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000465981363 514534215 /nfs/dbraw/zinc/53/42/15/514534215.db2.gz OLAQYZJUUFLMFI-MANSERQUSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000465981363 514534226 /nfs/dbraw/zinc/53/42/26/514534226.db2.gz OLAQYZJUUFLMFI-MANSERQUSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H]1CC[C@@H](C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)O1 ZINC000475043794 514535772 /nfs/dbraw/zinc/53/57/72/514535772.db2.gz FIKNOZXSHLNZAE-RXVVDRJESA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000455457496 514535818 /nfs/dbraw/zinc/53/58/18/514535818.db2.gz RNKZBZITTNFQHU-LBFURVHYSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455457496 514535826 /nfs/dbraw/zinc/53/58/26/514535826.db2.gz RNKZBZITTNFQHU-LBFURVHYSA-N 1 3 370.541 2.775 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000466015044 514539232 /nfs/dbraw/zinc/53/92/32/514539232.db2.gz ZNFGTBFLLGIRDS-UHFFFAOYSA-N 1 3 372.557 2.507 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453116764 514549522 /nfs/dbraw/zinc/54/95/22/514549522.db2.gz YPCIMARZNBKHOL-ZDFPQIBNSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453116764 514549525 /nfs/dbraw/zinc/54/95/25/514549525.db2.gz YPCIMARZNBKHOL-ZDFPQIBNSA-N 1 3 357.542 2.740 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CN(C4CC4)CCO3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453131428 514553520 /nfs/dbraw/zinc/55/35/20/514553520.db2.gz CQGACUHOYQBNGV-LDVJMBRRSA-N 1 3 369.553 2.882 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CN(C4CC4)CCO3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453131428 514553525 /nfs/dbraw/zinc/55/35/25/514553525.db2.gz CQGACUHOYQBNGV-LDVJMBRRSA-N 1 3 369.553 2.882 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000466092602 514557558 /nfs/dbraw/zinc/55/75/58/514557558.db2.gz HVULFUMOSYXFOR-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000458092996 514564264 /nfs/dbraw/zinc/56/42/64/514564264.db2.gz CJKWLRZTCUVAQS-OAHLLOKOSA-N 1 3 352.548 2.600 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000466222682 514581719 /nfs/dbraw/zinc/58/17/19/514581719.db2.gz DOYYKNIEZBKNSC-YTQUADARSA-N 1 3 350.551 2.525 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466226508 514584031 /nfs/dbraw/zinc/58/40/31/514584031.db2.gz ONQVBXNZLFINLE-UTKZUKDTSA-N 1 3 370.541 2.741 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000475269217 514595869 /nfs/dbraw/zinc/59/58/69/514595869.db2.gz MSYIARVQZZIACN-MJGOQNOKSA-N 1 3 360.546 2.879 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000507966606 514625999 /nfs/dbraw/zinc/62/59/99/514625999.db2.gz WRJZXHIVIQSPKV-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000461643954 514681140 /nfs/dbraw/zinc/68/11/40/514681140.db2.gz XMCNOTRXZJOATO-SFHVURJKSA-N 1 3 360.546 2.679 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000461643954 514681144 /nfs/dbraw/zinc/68/11/44/514681144.db2.gz XMCNOTRXZJOATO-SFHVURJKSA-N 1 3 360.546 2.679 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)N1[C@H](C)CC[C@@H]1C ZINC000458277569 514682089 /nfs/dbraw/zinc/68/20/89/514682089.db2.gz DUYSPVHBRYCSJO-QLFBSQMISA-N 1 3 351.466 2.966 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000484568696 514693190 /nfs/dbraw/zinc/69/31/90/514693190.db2.gz OTITWOPBMARSQM-GPMSIDNRSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000484568696 514693198 /nfs/dbraw/zinc/69/31/98/514693198.db2.gz OTITWOPBMARSQM-GPMSIDNRSA-N 1 3 364.509 2.848 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000461730791 514708970 /nfs/dbraw/zinc/70/89/70/514708970.db2.gz SEAYBDNGKQIBRU-NLWGTHIKSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000461730791 514708979 /nfs/dbraw/zinc/70/89/79/514708979.db2.gz SEAYBDNGKQIBRU-NLWGTHIKSA-N 1 3 360.546 2.879 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000479791080 514724884 /nfs/dbraw/zinc/72/48/84/514724884.db2.gz VLPQEVJMRBNSBL-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000479791080 514724895 /nfs/dbraw/zinc/72/48/95/514724895.db2.gz VLPQEVJMRBNSBL-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000498117940 514767762 /nfs/dbraw/zinc/76/77/62/514767762.db2.gz QIRSEYKUSQPGSU-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H](N)CC(F)F)C1 ZINC000498195523 514798278 /nfs/dbraw/zinc/79/82/78/514798278.db2.gz LBDUUWJZYQUSRG-CKEIUWERSA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000489329560 514800903 /nfs/dbraw/zinc/80/09/03/514800903.db2.gz VNASZJBASCNWRK-PBASOCQRSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000489329560 514800913 /nfs/dbraw/zinc/80/09/13/514800913.db2.gz VNASZJBASCNWRK-PBASOCQRSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000484804837 514801121 /nfs/dbraw/zinc/80/11/21/514801121.db2.gz AOYUURBGPJBTJK-MAUKXSAKSA-N 1 3 362.518 2.882 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458452275 514807418 /nfs/dbraw/zinc/80/74/18/514807418.db2.gz XQSZJHBJOAFYEV-FUHWJXTLSA-N 1 3 364.559 2.795 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458452275 514807433 /nfs/dbraw/zinc/80/74/33/514807433.db2.gz XQSZJHBJOAFYEV-FUHWJXTLSA-N 1 3 364.559 2.795 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489525174 514881934 /nfs/dbraw/zinc/88/19/34/514881934.db2.gz CBUFYZDUFBOYAS-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489525174 514881944 /nfs/dbraw/zinc/88/19/44/514881944.db2.gz CBUFYZDUFBOYAS-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000458544173 514886359 /nfs/dbraw/zinc/88/63/59/514886359.db2.gz FLJZFUDBBUVYEV-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000458544173 514886370 /nfs/dbraw/zinc/88/63/70/514886370.db2.gz FLJZFUDBBUVYEV-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480227082 514888243 /nfs/dbraw/zinc/88/82/43/514888243.db2.gz MTSBXIQNPYYHLD-UGKGYDQZSA-N 1 3 359.558 2.771 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480227082 514888251 /nfs/dbraw/zinc/88/82/51/514888251.db2.gz MTSBXIQNPYYHLD-UGKGYDQZSA-N 1 3 359.558 2.771 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCN(C)C[C@H]3C)CC2)c1 ZINC000480227270 514889534 /nfs/dbraw/zinc/88/95/34/514889534.db2.gz PUCBFTRCYLSXMW-IFMALSPDSA-N 1 3 358.574 2.827 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000471506686 514911391 /nfs/dbraw/zinc/91/13/91/514911391.db2.gz VRAWLAYWYKHQQV-CVEARBPZSA-N 1 3 352.548 2.915 20 0 FFADHO CN(CCCN(C)C(=O)NCC(C)(C)C[NH+]1CCCC1)Cc1ccco1 ZINC000503106436 514919642 /nfs/dbraw/zinc/91/96/42/514919642.db2.gz PPWVCDPLJLCFNA-UHFFFAOYSA-N 1 3 364.534 2.865 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1)N(C)C ZINC000508873201 514930945 /nfs/dbraw/zinc/93/09/45/514930945.db2.gz SOLHKBFGUJVIDN-PXNSSMCTSA-N 1 3 360.546 2.969 20 0 FFADHO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000508896325 514944537 /nfs/dbraw/zinc/94/45/37/514944537.db2.gz MGOSBZMFEXBXOZ-XEYPJELSSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508902332 514948776 /nfs/dbraw/zinc/94/87/76/514948776.db2.gz CWJMWZBKGFTREL-DFQSSKMNSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000489778276 514971554 /nfs/dbraw/zinc/97/15/54/514971554.db2.gz GAFYBBQWSHKDGH-MOPGFXCFSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000489778276 514971564 /nfs/dbraw/zinc/97/15/64/514971564.db2.gz GAFYBBQWSHKDGH-MOPGFXCFSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458634532 514973689 /nfs/dbraw/zinc/97/36/89/514973689.db2.gz ATTOFXAUYQYQDL-IEBWSBKVSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458634908 514975095 /nfs/dbraw/zinc/97/50/95/514975095.db2.gz QJGXQMCPZMJNNN-BZSNNMDCSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458634908 514975104 /nfs/dbraw/zinc/97/51/04/514975104.db2.gz QJGXQMCPZMJNNN-BZSNNMDCSA-N 1 3 362.562 2.765 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458653187 514991111 /nfs/dbraw/zinc/99/11/11/514991111.db2.gz QAYJPONXXMDGLM-RLLQIKCJSA-N 1 3 358.530 2.631 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458653187 514991118 /nfs/dbraw/zinc/99/11/18/514991118.db2.gz QAYJPONXXMDGLM-RLLQIKCJSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000489863844 515004257 /nfs/dbraw/zinc/00/42/57/515004257.db2.gz SWCISEUNMUAFEL-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480798604 515086096 /nfs/dbraw/zinc/08/60/96/515086096.db2.gz WNJKSWSXNZJOMM-PZJWPPBQSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480798604 515086104 /nfs/dbraw/zinc/08/61/04/515086104.db2.gz WNJKSWSXNZJOMM-PZJWPPBQSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480798602 515087074 /nfs/dbraw/zinc/08/70/74/515087074.db2.gz WNJKSWSXNZJOMM-CTNGQTDRSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480798602 515087084 /nfs/dbraw/zinc/08/70/84/515087084.db2.gz WNJKSWSXNZJOMM-CTNGQTDRSA-N 1 3 357.542 2.930 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000476650813 515142207 /nfs/dbraw/zinc/14/22/07/515142207.db2.gz CHSHLTFIKZCUJY-VQTJNVASSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000476739015 515177549 /nfs/dbraw/zinc/17/75/49/515177549.db2.gz MGWDNIJFDCULIL-SOLBZPMBSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000476739015 515177556 /nfs/dbraw/zinc/17/75/56/515177556.db2.gz MGWDNIJFDCULIL-SOLBZPMBSA-N 1 3 350.551 2.621 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000472281235 515199980 /nfs/dbraw/zinc/19/99/80/515199980.db2.gz ZCVRGXCTIDUHHP-GOSISDBHSA-N 1 3 369.456 2.726 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458942738 515217214 /nfs/dbraw/zinc/21/72/14/515217214.db2.gz VJHACCCNQSYXBE-HTUJPFKRSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000458942738 515217226 /nfs/dbraw/zinc/21/72/26/515217226.db2.gz VJHACCCNQSYXBE-HTUJPFKRSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458940954 515218423 /nfs/dbraw/zinc/21/84/23/515218423.db2.gz SBEKMSFAKWGNNV-MSOLQXFVSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000499199955 515235054 /nfs/dbraw/zinc/23/50/54/515235054.db2.gz ACRYQBHEASCZDS-QFBILLFUSA-N 1 3 364.509 2.706 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000499199955 515235063 /nfs/dbraw/zinc/23/50/63/515235063.db2.gz ACRYQBHEASCZDS-QFBILLFUSA-N 1 3 364.509 2.706 20 0 FFADHO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCN(C)[C@@H](C(C)C)C1)c1ccco1 ZINC000509568747 515237316 /nfs/dbraw/zinc/23/73/16/515237316.db2.gz BBPDMMBEZZVVDO-YESZJQIVSA-N 1 3 350.507 2.690 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccco1 ZINC000509605500 515253205 /nfs/dbraw/zinc/25/32/05/515253205.db2.gz WPIZHDVJJRIMHV-WNRNVDISSA-N 1 3 362.518 2.977 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccco1 ZINC000509611486 515255644 /nfs/dbraw/zinc/25/56/44/515255644.db2.gz QMEKLUYCBWFAPS-TWMKSMIVSA-N 1 3 350.507 2.690 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000509611486 515255653 /nfs/dbraw/zinc/25/56/53/515255653.db2.gz QMEKLUYCBWFAPS-TWMKSMIVSA-N 1 3 350.507 2.690 20 0 FFADHO C[NH+](C)C1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000468204922 515262753 /nfs/dbraw/zinc/26/27/53/515262753.db2.gz LBSSGWKGAIACRK-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000499318891 515282894 /nfs/dbraw/zinc/28/28/94/515282894.db2.gz FJUAHJOXTXTGQX-WMLDXEAASA-N 1 3 352.498 2.704 20 0 FFADHO CCCCCOc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000504431918 515304114 /nfs/dbraw/zinc/30/41/14/515304114.db2.gz RGOCOMGKAYRUOM-IBGZPJMESA-N 1 3 361.530 2.744 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCN(C)C2CC2)cc1 ZINC000490872567 515322085 /nfs/dbraw/zinc/32/20/85/515322085.db2.gz BKMLPQVDHGUTDI-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCN(C)C2CC2)cc1 ZINC000490872567 515322098 /nfs/dbraw/zinc/32/20/98/515322098.db2.gz BKMLPQVDHGUTDI-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC1 ZINC000504559522 515327685 /nfs/dbraw/zinc/32/76/85/515327685.db2.gz AQSSOQVEXOCXMS-XMSQKQJNSA-N 1 3 373.541 2.850 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC1 ZINC000504559522 515327689 /nfs/dbraw/zinc/32/76/89/515327689.db2.gz AQSSOQVEXOCXMS-XMSQKQJNSA-N 1 3 373.541 2.850 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000509990579 515394459 /nfs/dbraw/zinc/39/44/59/515394459.db2.gz MXCHEHYDEQBCSQ-GOSISDBHSA-N 1 3 360.502 2.719 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486246283 515398129 /nfs/dbraw/zinc/39/81/29/515398129.db2.gz URKCBECZWFHGFA-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486246283 515398136 /nfs/dbraw/zinc/39/81/36/515398136.db2.gz URKCBECZWFHGFA-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(C(F)F)CC1 ZINC000459251007 515422885 /nfs/dbraw/zinc/42/28/85/515422885.db2.gz LCBBMWQHGRTZJM-OFLPRAFFSA-N 1 3 374.520 2.868 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(C(F)F)CC1 ZINC000459251007 515422889 /nfs/dbraw/zinc/42/28/89/515422889.db2.gz LCBBMWQHGRTZJM-OFLPRAFFSA-N 1 3 374.520 2.868 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(C(F)F)CC1 ZINC000459251005 515423512 /nfs/dbraw/zinc/42/35/12/515423512.db2.gz LCBBMWQHGRTZJM-JCYILVPMSA-N 1 3 374.520 2.868 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(C(F)F)CC1 ZINC000459251005 515423517 /nfs/dbraw/zinc/42/35/17/515423517.db2.gz LCBBMWQHGRTZJM-JCYILVPMSA-N 1 3 374.520 2.868 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456793995 515426140 /nfs/dbraw/zinc/42/61/40/515426140.db2.gz QUIKDMXBESYFQK-BBRMVZONSA-N 1 3 365.905 2.949 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456793995 515426150 /nfs/dbraw/zinc/42/61/50/515426150.db2.gz QUIKDMXBESYFQK-BBRMVZONSA-N 1 3 365.905 2.949 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000463276870 515427032 /nfs/dbraw/zinc/42/70/32/515427032.db2.gz QMPNQSQAJBYUJL-PKOBYXMFSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000463276868 515427311 /nfs/dbraw/zinc/42/73/11/515427311.db2.gz QMPNQSQAJBYUJL-IEBWSBKVSA-N 1 3 358.530 2.538 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000459329541 515475225 /nfs/dbraw/zinc/47/52/25/515475225.db2.gz YXUJJVZUVIRJQZ-CRAIPNDOSA-N 1 3 366.937 2.974 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000459329541 515475232 /nfs/dbraw/zinc/47/52/32/515475232.db2.gz YXUJJVZUVIRJQZ-CRAIPNDOSA-N 1 3 366.937 2.974 20 0 FFADHO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505296425 515500001 /nfs/dbraw/zinc/50/00/01/515500001.db2.gz UUYDOCMQFYAYIB-SFHVURJKSA-N 1 3 367.484 2.990 20 0 FFADHO CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505296425 515500011 /nfs/dbraw/zinc/50/00/11/515500011.db2.gz UUYDOCMQFYAYIB-SFHVURJKSA-N 1 3 367.484 2.990 20 0 FFADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000454465348 515509149 /nfs/dbraw/zinc/50/91/49/515509149.db2.gz XAMRIKQOSJSJIM-IBGZPJMESA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000477721854 515569349 /nfs/dbraw/zinc/56/93/49/515569349.db2.gz IGVGFSGAOXGOKX-CALCHBBNSA-N 1 3 359.514 2.702 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)[C@H](C)C1 ZINC000477850750 515615551 /nfs/dbraw/zinc/61/55/51/515615551.db2.gz CORRFUAERNZMDL-HBFSDRIKSA-N 1 3 359.514 2.519 20 0 FFADHO CCS(=O)(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459530466 515624072 /nfs/dbraw/zinc/62/40/72/515624072.db2.gz LRLYZDRUHOIUGC-UHFFFAOYSA-N 1 3 359.495 2.634 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1Cl ZINC000505726361 515644984 /nfs/dbraw/zinc/64/49/84/515644984.db2.gz RBIYDCASGPZGTK-OAHLLOKOSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1Cl ZINC000505726361 515644994 /nfs/dbraw/zinc/64/49/94/515644994.db2.gz RBIYDCASGPZGTK-OAHLLOKOSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000505825239 515685322 /nfs/dbraw/zinc/68/53/22/515685322.db2.gz OIMYBXSDJSYBMF-YLJYHZDGSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000505825239 515685329 /nfs/dbraw/zinc/68/53/29/515685329.db2.gz OIMYBXSDJSYBMF-YLJYHZDGSA-N 1 3 363.521 2.879 20 0 FFADHO CC(C)(C)OC1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000494047052 515718133 /nfs/dbraw/zinc/71/81/33/515718133.db2.gz GDLHDYVSRAXGMU-UHFFFAOYSA-N 1 3 373.541 2.948 20 0 FFADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)C1 ZINC000482569532 515723534 /nfs/dbraw/zinc/72/35/34/515723534.db2.gz OGOROHLDWSAPCL-ABSDTBQOSA-N 1 3 362.537 2.958 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)cc2)CC1 ZINC000469344859 515778943 /nfs/dbraw/zinc/77/89/43/515778943.db2.gz QNVRUOMOJIIWHT-RTBURBONSA-N 1 3 372.557 2.821 20 0 FFADHO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000459796398 515809838 /nfs/dbraw/zinc/80/98/38/515809838.db2.gz YOWPFPHGUQWMSY-OFCAXSSNSA-N 1 3 355.526 2.934 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478412068 515812377 /nfs/dbraw/zinc/81/23/77/515812377.db2.gz BTIIBOUKASZGBD-AZUAARDMSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478422951 515818645 /nfs/dbraw/zinc/81/86/45/515818645.db2.gz VACNIIWYXSRXHR-IBGZPJMESA-N 1 3 360.546 2.581 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)C[C@H]3C)CC2)cs1 ZINC000482871354 515831973 /nfs/dbraw/zinc/83/19/73/515831973.db2.gz REVRPZPFFHMXSM-CRAIPNDOSA-N 1 3 350.576 2.847 20 0 FFADHO CCCNC(=O)C1CC[NH+](Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000506341559 515853945 /nfs/dbraw/zinc/85/39/45/515853945.db2.gz PMCWUTQOCKBXNJ-UHFFFAOYSA-N 1 3 372.557 2.567 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454967047 515862981 /nfs/dbraw/zinc/86/29/81/515862981.db2.gz WBODFWIZWSIPBF-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454967047 515862986 /nfs/dbraw/zinc/86/29/86/515862986.db2.gz WBODFWIZWSIPBF-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000487530008 515893917 /nfs/dbraw/zinc/89/39/17/515893917.db2.gz ANMIMBLJYPURTI-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000487530008 515893928 /nfs/dbraw/zinc/89/39/28/515893928.db2.gz ANMIMBLJYPURTI-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487544496 515899516 /nfs/dbraw/zinc/89/95/16/515899516.db2.gz WZIOQZIVHOIEAK-KVPLUYHFSA-N 1 3 358.530 2.661 20 0 FFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487544496 515899521 /nfs/dbraw/zinc/89/95/21/515899521.db2.gz WZIOQZIVHOIEAK-KVPLUYHFSA-N 1 3 358.530 2.661 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000511467845 515916454 /nfs/dbraw/zinc/91/64/54/515916454.db2.gz ZVPSRKMCAHGZSJ-QZTJIDSGSA-N 1 3 365.468 2.696 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000494681715 515921343 /nfs/dbraw/zinc/92/13/43/515921343.db2.gz UROCMZMUQQVXHP-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC(CCCn3ccnc3)CC2)CC1 ZINC000501052117 515954297 /nfs/dbraw/zinc/95/42/97/515954297.db2.gz MHLCXKRXHZKLOU-UHFFFAOYSA-N 1 3 361.578 2.791 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCCC[NH+]1CCCC1)C1CC1 ZINC000478841199 515982113 /nfs/dbraw/zinc/98/21/13/515982113.db2.gz UCAXNBSIFYPNEK-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1=CCN(C)CC1 ZINC000483217149 515989927 /nfs/dbraw/zinc/98/99/27/515989927.db2.gz CJCICUHUPUCFQI-KRWDZBQOSA-N 1 3 350.551 2.981 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC000469853630 515998272 /nfs/dbraw/zinc/99/82/72/515998272.db2.gz CHBSTADRELUSSI-UHFFFAOYSA-N 1 3 356.514 2.878 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487836778 516000023 /nfs/dbraw/zinc/00/00/23/516000023.db2.gz LQJDYNJZAJKFAA-LCLWPZTBSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487836778 516000031 /nfs/dbraw/zinc/00/00/31/516000031.db2.gz LQJDYNJZAJKFAA-LCLWPZTBSA-N 1 3 358.530 2.679 20 0 FFADHO CCCCOc1ccccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469864341 516002798 /nfs/dbraw/zinc/00/27/98/516002798.db2.gz RRRVQQRZTMRKQT-ICSRJNTNSA-N 1 3 373.541 2.946 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H](C)C1 ZINC000487849906 516007088 /nfs/dbraw/zinc/00/70/88/516007088.db2.gz JAKOSUYJNBBFTI-FUMNGEBKSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H](C)C1 ZINC000487849906 516007096 /nfs/dbraw/zinc/00/70/96/516007096.db2.gz JAKOSUYJNBBFTI-FUMNGEBKSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000501189315 516011424 /nfs/dbraw/zinc/01/14/24/516011424.db2.gz URDUQDNIQULEML-OALUTQOASA-N 1 3 352.567 2.917 20 0 FFADHO CN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000469897138 516020732 /nfs/dbraw/zinc/02/07/32/516020732.db2.gz CAALKFNMBZTDEV-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000469906876 516025885 /nfs/dbraw/zinc/02/58/85/516025885.db2.gz LRFBYWRAVQQVQE-FQEVSTJZSA-N 1 3 374.573 2.681 20 0 FFADHO C[NH+](C)CCCC(C)(C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000457704026 516082437 /nfs/dbraw/zinc/08/24/37/516082437.db2.gz FYTWYJVXFGJQIR-UHFFFAOYSA-N 1 3 360.546 2.854 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 ZINC000479183580 516092599 /nfs/dbraw/zinc/09/25/99/516092599.db2.gz GZVSSRFTTXXOEC-VQTJNVASSA-N 1 3 355.457 2.821 20 0 FFADHO NC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000479225784 516116054 /nfs/dbraw/zinc/11/60/54/516116054.db2.gz PWZUOAHXWCPVOM-FQEVSTJZSA-N 1 3 355.457 2.780 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000507200568 516122275 /nfs/dbraw/zinc/12/22/75/516122275.db2.gz DEJLSDXLQBIXRH-ZWKOTPCHSA-N 1 3 365.468 2.600 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000501523989 516139137 /nfs/dbraw/zinc/13/91/37/516139137.db2.gz VGQUTGOBBYGUGM-OTWHNJEPSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000501523989 516139149 /nfs/dbraw/zinc/13/91/49/516139149.db2.gz VGQUTGOBBYGUGM-OTWHNJEPSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000457789880 516147500 /nfs/dbraw/zinc/14/75/00/516147500.db2.gz QANSZXGZDWIWTG-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000457789880 516147511 /nfs/dbraw/zinc/14/75/11/516147511.db2.gz QANSZXGZDWIWTG-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000501544207 516149874 /nfs/dbraw/zinc/14/98/74/516149874.db2.gz CKOYQYPPOZPFNJ-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000501544207 516149879 /nfs/dbraw/zinc/14/98/79/516149879.db2.gz CKOYQYPPOZPFNJ-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457806906 516160870 /nfs/dbraw/zinc/16/08/70/516160870.db2.gz VTKCGZLXCVKYDH-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457806906 516160875 /nfs/dbraw/zinc/16/08/75/516160875.db2.gz VTKCGZLXCVKYDH-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000457817816 516169794 /nfs/dbraw/zinc/16/97/94/516169794.db2.gz TWJCIMDNKANLLL-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000457817816 516169803 /nfs/dbraw/zinc/16/98/03/516169803.db2.gz TWJCIMDNKANLLL-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000465524987 516178736 /nfs/dbraw/zinc/17/87/36/516178736.db2.gz MZMXJWQOKOAUCT-WOJBJXKFSA-N 1 3 360.546 2.723 20 0 FFADHO Cc1nc2ccccn2c1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512186634 516187810 /nfs/dbraw/zinc/18/78/10/516187810.db2.gz NICQOYUVWTZTQS-IAGOWNOFSA-N 1 3 356.514 2.964 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000507378520 516195053 /nfs/dbraw/zinc/19/50/53/516195053.db2.gz GBHJBBYXIHDROZ-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000507378520 516195063 /nfs/dbraw/zinc/19/50/63/516195063.db2.gz GBHJBBYXIHDROZ-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)c(Cl)c1 ZINC000512240409 516207894 /nfs/dbraw/zinc/20/78/94/516207894.db2.gz APMOTABSZPVRCR-OAHLLOKOSA-N 1 3 357.901 2.520 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000465676948 516226441 /nfs/dbraw/zinc/22/64/41/516226441.db2.gz VSVDSYYKNAYTAD-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000465676948 516226452 /nfs/dbraw/zinc/22/64/52/516226452.db2.gz VSVDSYYKNAYTAD-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)N(C)C)cc1 ZINC000488465131 516231144 /nfs/dbraw/zinc/23/11/44/516231144.db2.gz XGKGIRXVPMHRGI-HOJAQTOUSA-N 1 3 358.530 2.866 20 0 FFADHO C[C@H](NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1=CCN(C)CC1 ZINC000488472010 516232724 /nfs/dbraw/zinc/23/27/24/516232724.db2.gz UNKMJBJXEPCLGK-AVRDEDQJSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@H](NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1=CCN(C)CC1 ZINC000488472010 516232733 /nfs/dbraw/zinc/23/27/33/516232733.db2.gz UNKMJBJXEPCLGK-AVRDEDQJSA-N 1 3 370.541 2.991 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000465745788 516245365 /nfs/dbraw/zinc/24/53/65/516245365.db2.gz GHEIKBGSOORAPD-GUDVDZBRSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000465745788 516245372 /nfs/dbraw/zinc/24/53/72/516245372.db2.gz GHEIKBGSOORAPD-GUDVDZBRSA-N 1 3 352.567 2.870 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000457946695 516247755 /nfs/dbraw/zinc/24/77/55/516247755.db2.gz VUIVSFKOKBCKCU-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000457946695 516247759 /nfs/dbraw/zinc/24/77/59/516247759.db2.gz VUIVSFKOKBCKCU-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000497364559 516314557 /nfs/dbraw/zinc/31/45/57/516314557.db2.gz ISJJNWYNBSJCCC-AYWYSENESA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000497364559 516314561 /nfs/dbraw/zinc/31/45/61/516314561.db2.gz ISJJNWYNBSJCCC-AYWYSENESA-N 1 3 370.541 2.948 20 0 FFADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC000512650284 516318230 /nfs/dbraw/zinc/31/82/30/516318230.db2.gz YPOBBTKKZRMJOK-BHIFYINESA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000512666820 516320073 /nfs/dbraw/zinc/32/00/73/516320073.db2.gz MPHHCDUFGZTXHA-YPAWHYETSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000512666820 516320074 /nfs/dbraw/zinc/32/00/74/516320074.db2.gz MPHHCDUFGZTXHA-YPAWHYETSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000512666820 516320076 /nfs/dbraw/zinc/32/00/76/516320076.db2.gz MPHHCDUFGZTXHA-YPAWHYETSA-N 1 3 371.569 2.988 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000497581804 516327193 /nfs/dbraw/zinc/32/71/93/516327193.db2.gz FNUJEOVPLKSHII-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)([NH+](C)C)C1 ZINC000522881118 516341358 /nfs/dbraw/zinc/34/13/58/516341358.db2.gz LGIWZRGUCHIWFW-UZKOGDIHSA-N 1 3 372.557 2.920 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000550621269 516357196 /nfs/dbraw/zinc/35/71/96/516357196.db2.gz HNEQXUYFJHCXMM-QFIPXVFZSA-N 1 3 365.521 2.917 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000543762996 516417954 /nfs/dbraw/zinc/41/79/54/516417954.db2.gz STPVMEDZZZXRQC-PSWRPDDJSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000543762996 516417965 /nfs/dbraw/zinc/41/79/65/516417965.db2.gz STPVMEDZZZXRQC-PSWRPDDJSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000543762996 516417974 /nfs/dbraw/zinc/41/79/74/516417974.db2.gz STPVMEDZZZXRQC-PSWRPDDJSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000561198644 516446319 /nfs/dbraw/zinc/44/63/19/516446319.db2.gz BUBMGAHUFLFRTL-HKUYNNGSSA-N 1 3 358.530 2.586 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000561208490 516451676 /nfs/dbraw/zinc/45/16/76/516451676.db2.gz ILAVMIGAWUEING-UYAOXDASSA-N 1 3 373.545 2.847 20 0 FFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523474646 516479126 /nfs/dbraw/zinc/47/91/26/516479126.db2.gz JJVIUZBADQMWRZ-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000523474646 516479132 /nfs/dbraw/zinc/47/91/32/516479132.db2.gz JJVIUZBADQMWRZ-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000517906456 516488155 /nfs/dbraw/zinc/48/81/55/516488155.db2.gz RWUMMYPUQRTDBU-FGTMMUONSA-N 1 3 361.530 2.547 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000517906456 516488164 /nfs/dbraw/zinc/48/81/64/516488164.db2.gz RWUMMYPUQRTDBU-FGTMMUONSA-N 1 3 361.530 2.547 20 0 FFADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000547706792 516512092 /nfs/dbraw/zinc/51/20/92/516512092.db2.gz ZMPPNZHLEAOXLR-MSOLQXFVSA-N 1 3 360.527 2.996 20 0 FFADHO CN(c1ccccc1C[NH2+]CCCCn1ccnc1)C1CCN(C)CC1 ZINC000531598094 516546393 /nfs/dbraw/zinc/54/63/93/516546393.db2.gz SOXOIIRJJKVDSR-UHFFFAOYSA-N 1 3 355.530 2.984 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000531685061 516595419 /nfs/dbraw/zinc/59/54/19/516595419.db2.gz TXIANDZNPOMJKU-RBBKRZOGSA-N 1 3 358.574 2.514 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCCN(C)CC2)[NH+](C)C)cc1 ZINC000513390167 516600819 /nfs/dbraw/zinc/60/08/19/516600819.db2.gz MTMTUSUKVGPAQN-FQEVSTJZSA-N 1 3 360.546 2.835 20 0 FFADHO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000528762524 516679321 /nfs/dbraw/zinc/67/93/21/516679321.db2.gz LVPRGZGIHKHQSC-SOADLSRISA-N 1 3 373.541 2.557 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518584789 516712889 /nfs/dbraw/zinc/71/28/89/516712889.db2.gz QYLRBBDABCOEOB-OAQYLSRUSA-N 1 3 351.494 2.887 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518584789 516712894 /nfs/dbraw/zinc/71/28/94/516712894.db2.gz QYLRBBDABCOEOB-OAQYLSRUSA-N 1 3 351.494 2.887 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000524467587 516727967 /nfs/dbraw/zinc/72/79/67/516727967.db2.gz CUGLHZKMUHVKQD-GOSISDBHSA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000524491494 516735625 /nfs/dbraw/zinc/73/56/25/516735625.db2.gz ABUJSABMITTZAY-MRXNPFEDSA-N 1 3 364.559 2.838 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000555075379 516770004 /nfs/dbraw/zinc/77/00/04/516770004.db2.gz YVHWHERYDZFDBC-YJBOKZPZSA-N 1 3 366.937 2.974 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[NH+]1CCCCC1 ZINC000524653492 516780063 /nfs/dbraw/zinc/78/00/63/516780063.db2.gz VVHMDAVRJIJKKJ-NRFANRHFSA-N 1 3 372.557 2.883 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528906774 516787003 /nfs/dbraw/zinc/78/70/03/516787003.db2.gz VBECYSFFKVWNIU-KRWDZBQOSA-N 1 3 360.502 2.895 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528906774 516787007 /nfs/dbraw/zinc/78/70/07/516787007.db2.gz VBECYSFFKVWNIU-KRWDZBQOSA-N 1 3 360.502 2.895 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NCc1ccncc1OCC[NH+](C)C ZINC000518829156 516790954 /nfs/dbraw/zinc/79/09/54/516790954.db2.gz ZCPHRXQMRCUZHT-OAHLLOKOSA-N 1 3 374.460 2.668 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000514046423 516840768 /nfs/dbraw/zinc/84/07/68/516840768.db2.gz RPARNXHGAGLTQV-CTNGQTDRSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000514046423 516840774 /nfs/dbraw/zinc/84/07/74/516840774.db2.gz RPARNXHGAGLTQV-CTNGQTDRSA-N 1 3 370.541 2.825 20 0 FFADHO c1ccc(CN2CCOCC3(CC3)C2)c(CN2CCOCC3(CC3)C2)c1 ZINC000541129898 516893312 /nfs/dbraw/zinc/89/33/12/516893312.db2.gz HNQHPNJGODSJRR-UHFFFAOYSA-N 1 3 356.510 2.911 20 0 FFADHO c1ccc(C[N@@H+]2CCOCC3(CC3)C2)c(CN2CCOCC3(CC3)C2)c1 ZINC000541129898 516893321 /nfs/dbraw/zinc/89/33/21/516893321.db2.gz HNQHPNJGODSJRR-UHFFFAOYSA-N 1 3 356.510 2.911 20 0 FFADHO c1ccc(C[N@H+]2CCOCC3(CC3)C2)c(CN2CCOCC3(CC3)C2)c1 ZINC000541129898 516893334 /nfs/dbraw/zinc/89/33/34/516893334.db2.gz HNQHPNJGODSJRR-UHFFFAOYSA-N 1 3 356.510 2.911 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000514189513 516894472 /nfs/dbraw/zinc/89/44/72/516894472.db2.gz ILOVSJZUWBTLCD-AZUAARDMSA-N 1 3 360.546 2.579 20 0 FFADHO O=C(N1CCCN(CCCc2ccccc2)CC1)C12CCC[NH+]1CCC2 ZINC000548414445 516969863 /nfs/dbraw/zinc/96/98/63/516969863.db2.gz BBHQGRQFBIGGDG-UHFFFAOYSA-N 1 3 355.526 2.782 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532532516 517022652 /nfs/dbraw/zinc/02/26/52/517022652.db2.gz VQCNBZFLSDZMQE-ZIAGYGMSSA-N 1 3 353.894 2.997 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532532516 517022657 /nfs/dbraw/zinc/02/26/57/517022657.db2.gz VQCNBZFLSDZMQE-ZIAGYGMSSA-N 1 3 353.894 2.997 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000514737754 517032107 /nfs/dbraw/zinc/03/21/07/517032107.db2.gz XGTQHBINDIUKRJ-QRTARXTBSA-N 1 3 369.431 2.913 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000525437613 517039919 /nfs/dbraw/zinc/03/99/19/517039919.db2.gz UQWMFBVEDNPXEG-RTWAWAEBSA-N 1 3 374.573 2.923 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532590037 517050260 /nfs/dbraw/zinc/05/02/60/517050260.db2.gz OWWIKNNQOARLJK-SFTDATJTSA-N 1 3 372.557 2.778 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532590037 517050272 /nfs/dbraw/zinc/05/02/72/517050272.db2.gz OWWIKNNQOARLJK-SFTDATJTSA-N 1 3 372.557 2.778 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000519632957 517094280 /nfs/dbraw/zinc/09/42/80/517094280.db2.gz BAEQTFJJRFPWQR-HXUWFJFHSA-N 1 3 359.562 2.530 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000519632957 517094289 /nfs/dbraw/zinc/09/42/89/517094289.db2.gz BAEQTFJJRFPWQR-HXUWFJFHSA-N 1 3 359.562 2.530 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529359429 517099928 /nfs/dbraw/zinc/09/99/28/517099928.db2.gz KWEONWYYVJWSLP-IEBWSBKVSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000519701201 517135881 /nfs/dbraw/zinc/13/58/81/517135881.db2.gz FSLCKGBKCNCLGC-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000519701201 517135890 /nfs/dbraw/zinc/13/58/90/517135890.db2.gz FSLCKGBKCNCLGC-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000519701201 517135902 /nfs/dbraw/zinc/13/59/02/517135902.db2.gz FSLCKGBKCNCLGC-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CCC[C@](CNC[C@@H](O)CN2CCc3ccccc3C2)([NH+](C)C)C1 ZINC000552226534 517151633 /nfs/dbraw/zinc/15/16/33/517151633.db2.gz GUKLNGDXFMMCJH-QIJUGHKUSA-N 1 3 359.558 2.506 20 0 FFADHO C[C@@H]1CCC[C@](C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)(N(C)C)C1 ZINC000552226534 517151639 /nfs/dbraw/zinc/15/16/39/517151639.db2.gz GUKLNGDXFMMCJH-QIJUGHKUSA-N 1 3 359.558 2.506 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000514979880 517153264 /nfs/dbraw/zinc/15/32/64/517153264.db2.gz LVGXSRKDQKNKAC-DLBZAZTESA-N 1 3 366.575 2.988 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000514979880 517153273 /nfs/dbraw/zinc/15/32/73/517153273.db2.gz LVGXSRKDQKNKAC-DLBZAZTESA-N 1 3 366.575 2.988 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)c2)CC1 ZINC000545331298 517180610 /nfs/dbraw/zinc/18/06/10/517180610.db2.gz CSINOYCUDQWORN-SFHVURJKSA-N 1 3 373.545 2.680 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)c2)CC1 ZINC000545331298 517180615 /nfs/dbraw/zinc/18/06/15/517180615.db2.gz CSINOYCUDQWORN-SFHVURJKSA-N 1 3 373.545 2.680 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000541786792 517215279 /nfs/dbraw/zinc/21/52/79/517215279.db2.gz HKUNFUHOTRACMJ-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000541786792 517215285 /nfs/dbraw/zinc/21/52/85/517215285.db2.gz HKUNFUHOTRACMJ-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000541786795 517217465 /nfs/dbraw/zinc/21/74/65/517217465.db2.gz HKUNFUHOTRACMJ-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000541786795 517217475 /nfs/dbraw/zinc/21/74/75/517217475.db2.gz HKUNFUHOTRACMJ-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000552482772 517281067 /nfs/dbraw/zinc/28/10/67/517281067.db2.gz WEJLFHYVIKVKAJ-MGPQQGTHSA-N 1 3 351.457 2.740 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000552482772 517281074 /nfs/dbraw/zinc/28/10/74/517281074.db2.gz WEJLFHYVIKVKAJ-MGPQQGTHSA-N 1 3 351.457 2.740 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000548903259 517290705 /nfs/dbraw/zinc/29/07/05/517290705.db2.gz XRWDLLZFIDDRLP-BHIFYINESA-N 1 3 363.505 2.723 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC000548903259 517290713 /nfs/dbraw/zinc/29/07/13/517290713.db2.gz XRWDLLZFIDDRLP-BHIFYINESA-N 1 3 363.505 2.723 20 0 FFADHO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000520231134 517310522 /nfs/dbraw/zinc/31/05/22/517310522.db2.gz DWWCZSJSQDQOIH-BVSLBCMMSA-N 1 3 354.494 2.633 20 0 FFADHO COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000520231134 517310528 /nfs/dbraw/zinc/31/05/28/517310528.db2.gz DWWCZSJSQDQOIH-BVSLBCMMSA-N 1 3 354.494 2.633 20 0 FFADHO COc1cccc(C[C@@H]2CCCN2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000520231134 517310538 /nfs/dbraw/zinc/31/05/38/517310538.db2.gz DWWCZSJSQDQOIH-BVSLBCMMSA-N 1 3 354.494 2.633 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000520253861 517321354 /nfs/dbraw/zinc/32/13/54/517321354.db2.gz BLXFXFPUESGMEZ-UONOGXRCSA-N 1 3 355.324 2.521 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000537772456 517336326 /nfs/dbraw/zinc/33/63/26/517336326.db2.gz UYBRUMIWOUDJOR-SFHVURJKSA-N 1 3 371.529 2.566 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000562771030 517383405 /nfs/dbraw/zinc/38/34/05/517383405.db2.gz XCIYDRUMQSPERG-WMZOPIPTSA-N 1 3 359.518 2.530 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000520784284 517512554 /nfs/dbraw/zinc/51/25/54/517512554.db2.gz CLTNZGSHKDZOMP-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520819073 517523575 /nfs/dbraw/zinc/52/35/75/517523575.db2.gz OHPNJKZSWWSTFS-RTWAWAEBSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000520819073 517523587 /nfs/dbraw/zinc/52/35/87/517523587.db2.gz OHPNJKZSWWSTFS-RTWAWAEBSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H](CNC(=O)NC(C)(C)CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000533617335 517548018 /nfs/dbraw/zinc/54/80/18/517548018.db2.gz PTEPHZIPWSDRKU-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)NCCN(C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516181312 517605866 /nfs/dbraw/zinc/60/58/66/517605866.db2.gz UOUKUDFVKCUSIA-WIYYLYMNSA-N 1 3 360.546 2.928 20 0 FFADHO COc1cc2nccc(N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2cc1OC ZINC000530173893 517609094 /nfs/dbraw/zinc/60/90/94/517609094.db2.gz COHJPCBXOZSJDZ-MRXNPFEDSA-N 1 3 371.481 2.847 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)([NH+](C)C)C1 ZINC000533810515 517622789 /nfs/dbraw/zinc/62/27/89/517622789.db2.gz NXCUVNJVXONMRL-UZKOGDIHSA-N 1 3 374.573 2.969 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239239 517646918 /nfs/dbraw/zinc/64/69/18/517646918.db2.gz FTECSTAUDACKFE-OAQYLSRUSA-N 1 3 373.541 2.663 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000530281985 517677874 /nfs/dbraw/zinc/67/78/74/517677874.db2.gz KIVNGOWIMQXRFZ-SAABIXHNSA-N 1 3 366.937 2.721 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563150052 517692930 /nfs/dbraw/zinc/69/29/30/517692930.db2.gz WZNVCOKDINCOJL-MELADBBJSA-N 1 3 366.303 2.708 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CCOC1 ZINC000556886402 517728717 /nfs/dbraw/zinc/72/87/17/517728717.db2.gz MLTSLSZLJFDTOG-ZGJYDULXSA-N 1 3 358.526 2.664 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000556919640 517745929 /nfs/dbraw/zinc/74/59/29/517745929.db2.gz GXBIBPMSLVMHMY-CVEARBPZSA-N 1 3 363.502 2.885 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000556919640 517745940 /nfs/dbraw/zinc/74/59/40/517745940.db2.gz GXBIBPMSLVMHMY-CVEARBPZSA-N 1 3 363.502 2.885 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000563250420 517769400 /nfs/dbraw/zinc/76/94/00/517769400.db2.gz PMVFUEJDMJBFOQ-OAQYLSRUSA-N 1 3 370.541 2.628 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000563250420 517769409 /nfs/dbraw/zinc/76/94/09/517769409.db2.gz PMVFUEJDMJBFOQ-OAQYLSRUSA-N 1 3 370.541 2.628 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCc3cccs3)CC2)CC1 ZINC000538775238 517773135 /nfs/dbraw/zinc/77/31/35/517773135.db2.gz UAHJZBVIFLFEPD-UHFFFAOYSA-N 1 3 364.559 2.539 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)s2)cn1 ZINC000556958560 517775687 /nfs/dbraw/zinc/77/56/87/517775687.db2.gz UTEVWQJYDRQVKQ-PKOBYXMFSA-N 1 3 360.527 2.867 20 0 FFADHO Cn1nccc1-c1ccccc1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000560483281 517837452 /nfs/dbraw/zinc/83/74/52/517837452.db2.gz BDMHYDTUHNJWNZ-SFTDATJTSA-N 1 3 354.498 2.555 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000527678262 517839344 /nfs/dbraw/zinc/83/93/44/517839344.db2.gz ZEGWTTKBABCKHC-IBGZPJMESA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000521842683 517869217 /nfs/dbraw/zinc/86/92/17/517869217.db2.gz IGHGIHOBMUZSKB-QRQLOZEOSA-N 1 3 358.530 2.584 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)CC2)oc1C ZINC000560525938 517872531 /nfs/dbraw/zinc/87/25/31/517872531.db2.gz CDGXICHOYIXSMY-XUVXKRRUSA-N 1 3 360.546 2.966 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000534387605 517877599 /nfs/dbraw/zinc/87/75/99/517877599.db2.gz ZRTWIWPTCLEMHT-UHFFFAOYSA-N 1 3 374.916 2.967 20 0 FFADHO Cn1cnc(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560544597 517884589 /nfs/dbraw/zinc/88/45/89/517884589.db2.gz QZUQFKCVNBAOLX-VAMGGRTRSA-N 1 3 353.514 2.638 20 0 FFADHO Cn1cnc(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560544597 517884600 /nfs/dbraw/zinc/88/46/00/517884600.db2.gz QZUQFKCVNBAOLX-VAMGGRTRSA-N 1 3 353.514 2.638 20 0 FFADHO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000560544597 517884609 /nfs/dbraw/zinc/88/46/09/517884609.db2.gz QZUQFKCVNBAOLX-VAMGGRTRSA-N 1 3 353.514 2.638 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C4CC4)[C@H]3C3CC3)CC2)CC1 ZINC000563410268 517886544 /nfs/dbraw/zinc/88/65/44/517886544.db2.gz WGPQCLLCRHUHLU-LEWJYISDSA-N 1 3 359.558 2.830 20 0 FFADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000539043492 517895735 /nfs/dbraw/zinc/89/57/35/517895735.db2.gz TWARCSRAZFKMPP-OAHLLOKOSA-N 1 3 368.481 2.758 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NCC(C)(C)N3CCCCC3)C2)CC1 ZINC000534448091 517899525 /nfs/dbraw/zinc/89/95/25/517899525.db2.gz NXZPZQYRJNACEA-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000539085455 517906057 /nfs/dbraw/zinc/90/60/57/517906057.db2.gz ODAOKVKFWIHBJI-WDYCEAGBSA-N 1 3 368.543 2.633 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OCCN(C)C)c1 ZINC000563457488 517917495 /nfs/dbraw/zinc/91/74/95/517917495.db2.gz XJUYNPPZIKEVAP-ROUUACIJSA-N 1 3 374.529 2.789 20 0 FFADHO CCC(CC)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000530679569 517918672 /nfs/dbraw/zinc/91/86/72/517918672.db2.gz LZCBGCQTLHSKKL-UHFFFAOYSA-N 1 3 350.551 2.908 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000557225893 517925602 /nfs/dbraw/zinc/92/56/02/517925602.db2.gz BAEBONOLXKLTSC-PZJWPPBQSA-N 1 3 352.482 2.577 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000557225893 517925609 /nfs/dbraw/zinc/92/56/09/517925609.db2.gz BAEBONOLXKLTSC-PZJWPPBQSA-N 1 3 352.482 2.577 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563507175 517943756 /nfs/dbraw/zinc/94/37/56/517943756.db2.gz KPIYUSIWCHYWGI-OAGGEKHMSA-N 1 3 360.502 2.657 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527893320 517977718 /nfs/dbraw/zinc/97/77/18/517977718.db2.gz NUIKFBCSUSIQOU-PZJWPPBQSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527893320 517977722 /nfs/dbraw/zinc/97/77/22/517977722.db2.gz NUIKFBCSUSIQOU-PZJWPPBQSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000563585540 518000963 /nfs/dbraw/zinc/00/09/63/518000963.db2.gz CQBAEWGIWBEVMY-VOBQZIQPSA-N 1 3 352.482 2.622 20 0 FFADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530841102 518003680 /nfs/dbraw/zinc/00/36/80/518003680.db2.gz WOMNRNCUQUILAY-PBHICJAKSA-N 1 3 352.910 2.678 20 0 FFADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530841102 518003688 /nfs/dbraw/zinc/00/36/88/518003688.db2.gz WOMNRNCUQUILAY-PBHICJAKSA-N 1 3 352.910 2.678 20 0 FFADHO CC[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000553987501 518010029 /nfs/dbraw/zinc/01/00/29/518010029.db2.gz PWNJXNMWTCVGIA-OAQYLSRUSA-N 1 3 372.557 2.951 20 0 FFADHO CN(C(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000517239646 518084560 /nfs/dbraw/zinc/08/45/60/518084560.db2.gz VKURDJNSEDLIDH-UXHICEINSA-N 1 3 355.457 2.601 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000528148605 518119227 /nfs/dbraw/zinc/11/92/27/518119227.db2.gz HYDYGOLUMKRPQE-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO CN1CCC[C@H](CNC(=O)C2(C)C[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000517367431 518130636 /nfs/dbraw/zinc/13/06/36/518130636.db2.gz YIEZNMYKUJWXIC-GDBMZVCRSA-N 1 3 369.431 2.814 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000522601400 518132201 /nfs/dbraw/zinc/13/22/01/518132201.db2.gz FVFDWMKBMTZJRG-RBUKOAKNSA-N 1 3 360.546 2.927 20 0 FFADHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000517405423 518140654 /nfs/dbraw/zinc/14/06/54/518140654.db2.gz KWXRFHSSNPUGNV-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000517405423 518140662 /nfs/dbraw/zinc/14/06/62/518140662.db2.gz KWXRFHSSNPUGNV-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000517418586 518144893 /nfs/dbraw/zinc/14/48/93/518144893.db2.gz DNOWSXSYTXZHOH-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528290636 518166756 /nfs/dbraw/zinc/16/67/56/518166756.db2.gz YKVOBHPMRVLULQ-VDGAXYAQSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528290636 518166760 /nfs/dbraw/zinc/16/67/60/518166760.db2.gz YKVOBHPMRVLULQ-VDGAXYAQSA-N 1 3 360.546 2.662 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000522829914 518167425 /nfs/dbraw/zinc/16/74/25/518167425.db2.gz TYRNHUGVALJTEM-NHCUHLMSSA-N 1 3 370.541 2.574 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000522829914 518167429 /nfs/dbraw/zinc/16/74/29/518167429.db2.gz TYRNHUGVALJTEM-NHCUHLMSSA-N 1 3 370.541 2.574 20 0 FFADHO c1cc(C2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc2c1OCO2 ZINC000566843625 518228497 /nfs/dbraw/zinc/22/84/97/518228497.db2.gz GIHCTFHRWLEVRC-GBESFXJTSA-N 1 3 372.509 2.974 20 0 FFADHO c1cc(C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc2c1OCO2 ZINC000566843626 518228779 /nfs/dbraw/zinc/22/87/79/518228779.db2.gz GIHCTFHRWLEVRC-GUDVDZBRSA-N 1 3 372.509 2.974 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000575779489 518278581 /nfs/dbraw/zinc/27/85/81/518278581.db2.gz IWIAMCQZHGOPLD-YSIASYRMSA-N 1 3 358.530 2.838 20 0 FFADHO Cc1cccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000575796710 518285304 /nfs/dbraw/zinc/28/53/04/518285304.db2.gz MTNQIVCENILPPD-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1cccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000575796710 518285309 /nfs/dbraw/zinc/28/53/09/518285309.db2.gz MTNQIVCENILPPD-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000575796710 518285314 /nfs/dbraw/zinc/28/53/14/518285314.db2.gz MTNQIVCENILPPD-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000569782408 518286606 /nfs/dbraw/zinc/28/66/06/518286606.db2.gz OVYIBMFEGSFHLL-SFHLNBCPSA-N 1 3 364.493 2.713 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000564208139 518351235 /nfs/dbraw/zinc/35/12/35/518351235.db2.gz XJHQOCRLBKBGDL-OALUTQOASA-N 1 3 367.497 2.719 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)C1CC1 ZINC000584534813 518387783 /nfs/dbraw/zinc/38/77/83/518387783.db2.gz FQPUQLJPHOMYDV-HXUWFJFHSA-N 1 3 358.530 2.667 20 0 FFADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000572891401 518409761 /nfs/dbraw/zinc/40/97/61/518409761.db2.gz ANRBDIXIFREDQG-YYWHXJBOSA-N 1 3 357.542 2.858 20 0 FFADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000584585807 518410945 /nfs/dbraw/zinc/41/09/45/518410945.db2.gz YAXFDEJCAHZCIQ-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000584585807 518410952 /nfs/dbraw/zinc/41/09/52/518410952.db2.gz YAXFDEJCAHZCIQ-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000584585807 518410955 /nfs/dbraw/zinc/41/09/55/518410955.db2.gz YAXFDEJCAHZCIQ-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO C[N@@H+]1CCCN(CCCN[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000576072476 518414668 /nfs/dbraw/zinc/41/46/68/518414668.db2.gz JYOMCDQEPOPPKF-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO C[N@H+]1CCCN(CCCN[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000576072476 518414675 /nfs/dbraw/zinc/41/46/75/518414675.db2.gz JYOMCDQEPOPPKF-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO CCC[N@H+](C[C@@H](O)CN(C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564385373 518426682 /nfs/dbraw/zinc/42/66/82/518426682.db2.gz PUEPGPWNFSTQQF-YADHBBJMSA-N 1 3 359.558 2.818 20 0 FFADHO CCC[N@@H+](C[C@@H](O)CN(C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564385373 518426687 /nfs/dbraw/zinc/42/66/87/518426687.db2.gz PUEPGPWNFSTQQF-YADHBBJMSA-N 1 3 359.558 2.818 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)c(C)c2)CC1 ZINC000576129612 518443313 /nfs/dbraw/zinc/44/33/13/518443313.db2.gz RMBICKFBFWUCAQ-ZWKOTPCHSA-N 1 3 373.545 2.728 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000584715292 518444451 /nfs/dbraw/zinc/44/44/51/518444451.db2.gz PSZIXWFYYZCXLL-CALCHBBNSA-N 1 3 370.534 2.947 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000584715292 518444453 /nfs/dbraw/zinc/44/44/53/518444453.db2.gz PSZIXWFYYZCXLL-CALCHBBNSA-N 1 3 370.534 2.947 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000567312363 518458261 /nfs/dbraw/zinc/45/82/61/518458261.db2.gz OWDNRYSKFXASDI-HOTGVXAUSA-N 1 3 361.486 2.510 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000567312363 518458266 /nfs/dbraw/zinc/45/82/66/518458266.db2.gz OWDNRYSKFXASDI-HOTGVXAUSA-N 1 3 361.486 2.510 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c1 ZINC000567312363 518458272 /nfs/dbraw/zinc/45/82/72/518458272.db2.gz OWDNRYSKFXASDI-HOTGVXAUSA-N 1 3 361.486 2.510 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1=CCN(C)CC1 ZINC000584775772 518472942 /nfs/dbraw/zinc/47/29/42/518472942.db2.gz WODUQHQGHYDPJL-JSGCOSHPSA-N 1 3 359.297 2.973 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cncc(Br)c1 ZINC000564584350 518512924 /nfs/dbraw/zinc/51/29/24/518512924.db2.gz HMTIDGHTPAWICX-CQSZACIVSA-N 1 3 355.324 2.522 20 0 FFADHO CN(CCCN(C)[C@H](C(=O)N1CCCCC1)c1ccccc1)CC[NH+](C)C ZINC000581995680 518538222 /nfs/dbraw/zinc/53/82/22/518538222.db2.gz VNTGCYQRKSYAEZ-NRFANRHFSA-N 1 3 374.573 2.556 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCC3CCCC3)CC2)CC1 ZINC000582012905 518546370 /nfs/dbraw/zinc/54/63/70/518546370.db2.gz VBDAMKXYBDKCMP-UHFFFAOYSA-N 1 3 365.562 2.506 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000573204068 518554453 /nfs/dbraw/zinc/55/44/53/518554453.db2.gz GFYDGEVPPUOVKC-CLWJZODNSA-N 1 3 358.530 2.621 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000573204068 518554460 /nfs/dbraw/zinc/55/44/60/518554460.db2.gz GFYDGEVPPUOVKC-CLWJZODNSA-N 1 3 358.530 2.621 20 0 FFADHO COC[C@@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@@H](COC)C3)c2)C1 ZINC000579198127 518564972 /nfs/dbraw/zinc/56/49/72/518564972.db2.gz GNWQHUDJKGKNOU-RTBURBONSA-N 1 3 361.530 2.798 20 0 FFADHO COC[C@@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@@H](COC)C3)c2)C1 ZINC000579198127 518564977 /nfs/dbraw/zinc/56/49/77/518564977.db2.gz GNWQHUDJKGKNOU-RTBURBONSA-N 1 3 361.530 2.798 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000573296436 518596167 /nfs/dbraw/zinc/59/61/67/518596167.db2.gz DLQTVDXDUMUKSF-HZPDHXFCSA-N 1 3 352.548 2.913 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000573296436 518596174 /nfs/dbraw/zinc/59/61/74/518596174.db2.gz DLQTVDXDUMUKSF-HZPDHXFCSA-N 1 3 352.548 2.913 20 0 FFADHO CN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000582172886 518622667 /nfs/dbraw/zinc/62/26/67/518622667.db2.gz WCDPDGVGSLORRL-VABKMULXSA-N 1 3 370.585 2.657 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)[C@H]3CCCNC3)CC2)cc1 ZINC000564823349 518635529 /nfs/dbraw/zinc/63/55/29/518635529.db2.gz LRGQWCDRIUGQJZ-APWZRJJASA-N 1 3 358.530 2.587 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c(OC)c1 ZINC000576578787 518661560 /nfs/dbraw/zinc/66/15/60/518661560.db2.gz OCBBBXXKJMOTSC-JEVUSQKCSA-N 1 3 360.498 2.708 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000573545822 518718304 /nfs/dbraw/zinc/71/83/04/518718304.db2.gz SSMVZFOUMIFTHR-PZJWPPBQSA-N 1 3 370.497 2.804 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573549039 518719670 /nfs/dbraw/zinc/71/96/70/518719670.db2.gz VPMBUDITEFZQBU-UZKOGDIHSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000579572034 518745137 /nfs/dbraw/zinc/74/51/37/518745137.db2.gz VELQDENGQNYABY-UWJYYQICSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@@H](C[NH2+]CCCCN1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000582481870 518774769 /nfs/dbraw/zinc/77/47/69/518774769.db2.gz KGFXWYQCBBMRJQ-SFHVURJKSA-N 1 3 366.571 2.744 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H](c1ccccc1)[NH+](C)C ZINC000573666447 518775875 /nfs/dbraw/zinc/77/58/75/518775875.db2.gz GNLCBJLPADXIAF-YWZLYKJASA-N 1 3 368.481 2.982 20 0 FFADHO C[NH+]1CCC(CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000588646521 518795765 /nfs/dbraw/zinc/79/57/65/518795765.db2.gz RBGWBUHALXZVEI-IBGZPJMESA-N 1 3 361.505 2.886 20 0 FFADHO COc1ccc(OCC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588711249 518813650 /nfs/dbraw/zinc/81/36/50/518813650.db2.gz NGRPTDGBLQNGOZ-ROUUACIJSA-N 1 3 362.514 2.895 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccsc1 ZINC000568014795 518833622 /nfs/dbraw/zinc/83/36/22/518833622.db2.gz NRVIEQKNDYYJHT-QGZVFWFLSA-N 1 3 350.532 2.621 20 0 FFADHO Cc1ccc(NC(=O)[C@H]2CNCc3ccccc32)c(OCC[NH+](C)C)c1 ZINC000576946961 518842041 /nfs/dbraw/zinc/84/20/41/518842041.db2.gz DZGILYUVDXDKNO-SFHVURJKSA-N 1 3 353.466 2.761 20 0 FFADHO [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000568150567 518897185 /nfs/dbraw/zinc/89/71/85/518897185.db2.gz MRIPBPFBPBCYQV-JGCRXCKMSA-N 1 3 359.489 2.768 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000571039936 518897817 /nfs/dbraw/zinc/89/78/17/518897817.db2.gz NZIJLEFFZCMMBQ-SJORKVTESA-N 1 3 352.544 2.858 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@](C)(OC)C3CC3)CC2)CC1 ZINC000577077161 518904281 /nfs/dbraw/zinc/90/42/81/518904281.db2.gz XUHBWEXYPCUQFP-HRAATJIYSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1=CCN(C)CC1 ZINC000573957114 518918729 /nfs/dbraw/zinc/91/87/29/518918729.db2.gz OGLMQIVNFJRUFI-DOMZBBRYSA-N 1 3 359.297 2.973 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000568232935 518941370 /nfs/dbraw/zinc/94/13/70/518941370.db2.gz SCODYGOVOVUROL-QRQLOZEOSA-N 1 3 358.530 2.727 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCC[C@H]([NH3+])C3)nc12 ZINC000568249343 518949013 /nfs/dbraw/zinc/94/90/13/518949013.db2.gz NVXWDMZMIXZJTR-UONOGXRCSA-N 1 3 351.292 2.807 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000571157552 518954146 /nfs/dbraw/zinc/95/41/46/518954146.db2.gz GLJPHCMSIKXHBZ-GOSISDBHSA-N 1 3 354.922 2.928 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1 ZINC000577204734 518963937 /nfs/dbraw/zinc/96/39/37/518963937.db2.gz CYKRZIOOPDTARV-RDJZCZTQSA-N 1 3 356.470 2.552 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1 ZINC000577204734 518963943 /nfs/dbraw/zinc/96/39/43/518963943.db2.gz CYKRZIOOPDTARV-RDJZCZTQSA-N 1 3 356.470 2.552 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000582894344 518973696 /nfs/dbraw/zinc/97/36/96/518973696.db2.gz OVSBCMXESKJGLU-MHTWAQMVSA-N 1 3 370.541 2.819 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000568441124 519039619 /nfs/dbraw/zinc/03/96/19/519039619.db2.gz GSITXZUTBIACTO-INIZCTEOSA-N 1 3 364.538 2.700 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000568441124 519039625 /nfs/dbraw/zinc/03/96/25/519039625.db2.gz GSITXZUTBIACTO-INIZCTEOSA-N 1 3 364.538 2.700 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000577364412 519044888 /nfs/dbraw/zinc/04/48/88/519044888.db2.gz VQUUXRCZASFQHJ-CQSZACIVSA-N 1 3 366.893 2.687 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C[C@@H]21 ZINC000571417195 519088135 /nfs/dbraw/zinc/08/81/35/519088135.db2.gz VLBWUKKYKSUAGK-WCIQWLHISA-N 1 3 356.514 2.592 20 0 FFADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1=O ZINC000574400842 519137955 /nfs/dbraw/zinc/13/79/55/519137955.db2.gz ZAAYNWZWOFTEGM-NMLBUPMWSA-N 1 3 355.526 2.886 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574493361 519180172 /nfs/dbraw/zinc/18/01/72/519180172.db2.gz FYBKDHVCNHMHLA-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000574493361 519180182 /nfs/dbraw/zinc/18/01/82/519180182.db2.gz FYBKDHVCNHMHLA-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN(Cc2ccccc2)C1 ZINC000571689836 519223234 /nfs/dbraw/zinc/22/32/34/519223234.db2.gz TYFYQFXVMXJOQB-ZJOUEHCJSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN(Cc2ccccc2)C1 ZINC000571689836 519223235 /nfs/dbraw/zinc/22/32/35/519223235.db2.gz TYFYQFXVMXJOQB-ZJOUEHCJSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000574666428 519270381 /nfs/dbraw/zinc/27/03/81/519270381.db2.gz HFEPROJRWFGZGW-PKOFMYQESA-N 1 3 356.514 2.509 20 0 FFADHO Cc1ccc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(OCCN(C)C)c1 ZINC000577838813 519281416 /nfs/dbraw/zinc/28/14/16/519281416.db2.gz ZZVCVSIWHPDPMA-SFHVURJKSA-N 1 3 374.529 2.789 20 0 FFADHO c1ncn(-c2ccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)n1 ZINC000577840125 519281904 /nfs/dbraw/zinc/28/19/04/519281904.db2.gz MSBRRIMMDRGFQR-CTNGQTDRSA-N 1 3 361.449 2.613 20 0 FFADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577851205 519289558 /nfs/dbraw/zinc/28/95/58/519289558.db2.gz CXWZQOBFJUGLFV-HBFSDRIKSA-N 1 3 373.541 2.974 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](CC(F)F)c1ccccc1 ZINC000566085796 519289897 /nfs/dbraw/zinc/28/98/97/519289897.db2.gz VPAKZVDUHUEPRU-MRXNPFEDSA-N 1 3 356.461 2.518 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000580668159 519292748 /nfs/dbraw/zinc/29/27/48/519292748.db2.gz XYWHWIJLQKIGAP-CBGDNZLLSA-N 1 3 370.541 2.795 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CCC(C[NH3+])CC2)[C@H]1c1cccs1 ZINC000583682970 519379282 /nfs/dbraw/zinc/37/92/82/519379282.db2.gz YSBZQYOJYGFEAS-RDJZCZTQSA-N 1 3 350.532 2.511 20 0 FFADHO [NH3+]CCC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000572006974 519394901 /nfs/dbraw/zinc/39/49/01/519394901.db2.gz CFRYMFTVJZPQLZ-INIZCTEOSA-N 1 3 350.532 2.655 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H]1c1cccs1 ZINC000572014116 519399610 /nfs/dbraw/zinc/39/96/10/519399610.db2.gz UMGXDMPETZKTRX-YFHUEUNASA-N 1 3 364.559 2.948 20 0 FFADHO COCCN(C)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000566369785 519458155 /nfs/dbraw/zinc/45/81/55/519458155.db2.gz WNQYEWZXKXPGRZ-FDFHNCONSA-N 1 3 359.558 2.845 20 0 FFADHO COCCN(C)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000566369785 519458162 /nfs/dbraw/zinc/45/81/62/519458162.db2.gz WNQYEWZXKXPGRZ-FDFHNCONSA-N 1 3 359.558 2.845 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000569267730 519460948 /nfs/dbraw/zinc/46/09/48/519460948.db2.gz COEPVQSHAMUZAU-AWEZNQCLSA-N 1 3 372.916 2.621 20 0 FFADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000581006086 519473108 /nfs/dbraw/zinc/47/31/08/519473108.db2.gz ZTJDKVWEQZWNJF-DENIHFKCSA-N 1 3 365.477 2.570 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc4cc(F)ccc4[nH]3)CC2)CC1 ZINC000569353148 519507404 /nfs/dbraw/zinc/50/74/04/519507404.db2.gz MYWHIPPXVCQLGN-UHFFFAOYSA-N 1 3 373.476 2.837 20 0 FFADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000578322370 519535002 /nfs/dbraw/zinc/53/50/02/519535002.db2.gz WAPWFBTWEBHNIK-WOJBJXKFSA-N 1 3 370.541 2.530 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591282619 519574172 /nfs/dbraw/zinc/57/41/72/519574172.db2.gz GPWMOLGOOWIJDJ-AWEZNQCLSA-N 1 3 358.438 2.992 20 0 FFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(F)cc(Br)c1 ZINC000566642805 519592852 /nfs/dbraw/zinc/59/28/52/519592852.db2.gz NFOABGPFSZWZST-UHFFFAOYSA-N 1 3 360.315 2.904 20 0 FFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(F)cc(Br)c1 ZINC000566642805 519592856 /nfs/dbraw/zinc/59/28/56/519592856.db2.gz NFOABGPFSZWZST-UHFFFAOYSA-N 1 3 360.315 2.904 20 0 FFADHO c1cncc([C@@H]2CCN(CCOCC[N@@H+]3CC[C@@H](c4cccnc4)C3)C2)c1 ZINC000578440218 519594864 /nfs/dbraw/zinc/59/48/64/519594864.db2.gz NZLAGEFRIGZIHA-FGZHOGPDSA-N 1 3 366.509 2.772 20 0 FFADHO c1cncc([C@@H]2CCN(CCOCC[N@H+]3CC[C@@H](c4cccnc4)C3)C2)c1 ZINC000578440218 519594867 /nfs/dbraw/zinc/59/48/67/519594867.db2.gz NZLAGEFRIGZIHA-FGZHOGPDSA-N 1 3 366.509 2.772 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC(C(F)(F)F)C3)CC2)CC1 ZINC000566687849 519612005 /nfs/dbraw/zinc/61/20/05/519612005.db2.gz OWLCQUVDISFVIS-UHFFFAOYSA-N 1 3 361.452 2.640 20 0 FFADHO C[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000591431305 519622925 /nfs/dbraw/zinc/62/29/25/519622925.db2.gz KPIWLNQSYCYVJX-KZNAEPCWSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000608437490 519976977 /nfs/dbraw/zinc/97/69/77/519976977.db2.gz BTWPCPWWDJMFHS-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000608437490 519976982 /nfs/dbraw/zinc/97/69/82/519976982.db2.gz BTWPCPWWDJMFHS-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000608698835 520086738 /nfs/dbraw/zinc/08/67/38/520086738.db2.gz XERVJVGXBRBOAX-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000608698835 520086746 /nfs/dbraw/zinc/08/67/46/520086746.db2.gz XERVJVGXBRBOAX-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCCC1 ZINC000594958273 520230608 /nfs/dbraw/zinc/23/06/08/520230608.db2.gz RBVDUBYCDKHKJF-OALUTQOASA-N 1 3 350.551 2.671 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCCC1 ZINC000594958274 520230659 /nfs/dbraw/zinc/23/06/59/520230659.db2.gz RBVDUBYCDKHKJF-RBUKOAKNSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000594975661 520238229 /nfs/dbraw/zinc/23/82/29/520238229.db2.gz AAWFMHARFOVJJC-SOLBZPMBSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000594975661 520238233 /nfs/dbraw/zinc/23/82/33/520238233.db2.gz AAWFMHARFOVJJC-SOLBZPMBSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000612973816 520249994 /nfs/dbraw/zinc/24/99/94/520249994.db2.gz MMSFUMSTOHSWHT-HOJAQTOUSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000617007452 520277143 /nfs/dbraw/zinc/27/71/43/520277143.db2.gz TUHOXJHHBOWLPP-MGPQQGTHSA-N 1 3 363.468 2.884 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000617007452 520277150 /nfs/dbraw/zinc/27/71/50/520277150.db2.gz TUHOXJHHBOWLPP-MGPQQGTHSA-N 1 3 363.468 2.884 20 0 FFADHO Fc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1-n1ccnc1 ZINC000603517310 520293800 /nfs/dbraw/zinc/29/38/00/520293800.db2.gz OHHUULUAHFXRBY-SFHVURJKSA-N 1 3 358.461 2.744 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000600573554 520338733 /nfs/dbraw/zinc/33/87/33/520338733.db2.gz OZHDWFHQZVZQGD-LJQANCHMSA-N 1 3 359.514 2.716 20 0 FFADHO C[C@H](C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000600721649 520422928 /nfs/dbraw/zinc/42/29/28/520422928.db2.gz VLSRKHIOTLCUGY-MPQSDHOMSA-N 1 3 368.562 2.961 20 0 FFADHO C[C@H](CNCC1(O)CCC(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000600721649 520422937 /nfs/dbraw/zinc/42/29/37/520422937.db2.gz VLSRKHIOTLCUGY-MPQSDHOMSA-N 1 3 368.562 2.961 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)cc2)C1 ZINC000604169461 520465567 /nfs/dbraw/zinc/46/55/67/520465567.db2.gz XLDJWHRWXBHNCC-FXAWDEMLSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)cc2)C1 ZINC000604169461 520465574 /nfs/dbraw/zinc/46/55/74/520465574.db2.gz XLDJWHRWXBHNCC-FXAWDEMLSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000604193667 520482320 /nfs/dbraw/zinc/48/23/20/520482320.db2.gz IDEZJEWYLUXCMU-FXAWDEMLSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000604193667 520482326 /nfs/dbraw/zinc/48/23/26/520482326.db2.gz IDEZJEWYLUXCMU-FXAWDEMLSA-N 1 3 358.530 2.996 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604206317 520487658 /nfs/dbraw/zinc/48/76/58/520487658.db2.gz PHTDZMCOWFQAND-FQEVSTJZSA-N 1 3 358.530 2.951 20 0 FFADHO Cc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(-c2ccccc2)o1 ZINC000617507256 520546493 /nfs/dbraw/zinc/54/64/93/520546493.db2.gz OJNOPWOTIGXXKR-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO Cc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(-c2ccccc2)o1 ZINC000617507256 520546500 /nfs/dbraw/zinc/54/65/00/520546500.db2.gz OJNOPWOTIGXXKR-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO CC(C)[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000601242677 520704609 /nfs/dbraw/zinc/70/46/09/520704609.db2.gz MYPWLPKCQBAZJQ-OALUTQOASA-N 1 3 350.551 2.621 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000601341133 520749512 /nfs/dbraw/zinc/74/95/12/520749512.db2.gz CKSBXNNMPMCZNX-AEFFLSMTSA-N 1 3 350.551 2.671 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000601341133 520749516 /nfs/dbraw/zinc/74/95/16/520749516.db2.gz CKSBXNNMPMCZNX-AEFFLSMTSA-N 1 3 350.551 2.671 20 0 FFADHO CCS[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596454004 521079684 /nfs/dbraw/zinc/07/96/84/521079684.db2.gz ADVHFKKCMVHOEF-BBWFWOEESA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596454004 521079692 /nfs/dbraw/zinc/07/96/92/521079692.db2.gz ADVHFKKCMVHOEF-BBWFWOEESA-N 1 3 358.596 2.622 20 0 FFADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000606703306 521143999 /nfs/dbraw/zinc/14/39/99/521143999.db2.gz QCRNDBQBDKKZDW-HXUWFJFHSA-N 1 3 362.562 2.768 20 0 FFADHO CN1CCC[C@H]2C[N@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000599319164 521148324 /nfs/dbraw/zinc/14/83/24/521148324.db2.gz KTKGOLPYDLVQIP-KQNFGGRRSA-N 1 3 366.546 2.666 20 0 FFADHO CN1CCC[C@H]2C[N@@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000599319164 521148329 /nfs/dbraw/zinc/14/83/29/521148329.db2.gz KTKGOLPYDLVQIP-KQNFGGRRSA-N 1 3 366.546 2.666 20 0 FFADHO COC(=O)c1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)s1 ZINC000593731251 521180561 /nfs/dbraw/zinc/18/05/61/521180561.db2.gz VGVFCFLVYKHXQD-ARFHVFGLSA-N 1 3 352.500 2.704 20 0 FFADHO CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692270 521224472 /nfs/dbraw/zinc/22/44/72/521224472.db2.gz ATBWMGUQZGKMSJ-YESZJQIVSA-N 1 3 358.596 2.574 20 0 FFADHO CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692270 521224479 /nfs/dbraw/zinc/22/44/79/521224479.db2.gz ATBWMGUQZGKMSJ-YESZJQIVSA-N 1 3 358.596 2.574 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000618989929 521337896 /nfs/dbraw/zinc/33/78/96/521337896.db2.gz AEXFVALGAQFMGN-AZUAARDMSA-N 1 3 358.530 2.530 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CCCCC3)C2)CCCCCC1 ZINC000594082422 521396687 /nfs/dbraw/zinc/39/66/87/521396687.db2.gz AQWNGXKCPPUJOS-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CCOC(=O)c1cc(CNCC2CC[NH+](Cc3cccs3)CC2)on1 ZINC000602531446 521397370 /nfs/dbraw/zinc/39/73/70/521397370.db2.gz IGCMKCHCMHTEGL-UHFFFAOYSA-N 1 3 363.483 2.915 20 0 FFADHO C[N@H+](CCCNC(=O)N1CCN(C2CCCC2)CC1)Cc1ccccc1 ZINC000612192960 521525992 /nfs/dbraw/zinc/52/59/92/521525992.db2.gz MBEZFCNZNGCZLH-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CCN(C2CCCC2)CC1)Cc1ccccc1 ZINC000612192960 521526000 /nfs/dbraw/zinc/52/60/00/521526000.db2.gz MBEZFCNZNGCZLH-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000616077748 521617102 /nfs/dbraw/zinc/61/71/02/521617102.db2.gz RICNUQJQRKBDLL-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H]1CN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631842129 521759747 /nfs/dbraw/zinc/75/97/47/521759747.db2.gz VWDAAHPKVSSWGN-WRWLIDTKSA-N 1 3 357.523 2.870 20 0 FFADHO C[C@@H]1C[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1CN ZINC000631842129 521759751 /nfs/dbraw/zinc/75/97/51/521759751.db2.gz VWDAAHPKVSSWGN-WRWLIDTKSA-N 1 3 357.523 2.870 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1CN ZINC000631842129 521759757 /nfs/dbraw/zinc/75/97/57/521759757.db2.gz VWDAAHPKVSSWGN-WRWLIDTKSA-N 1 3 357.523 2.870 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc2nccnc2c1 ZINC000634974966 521847108 /nfs/dbraw/zinc/84/71/08/521847108.db2.gz OKJWDPLQRBSMLT-HXUWFJFHSA-N 1 3 362.477 2.876 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc2nccnc2c1 ZINC000634974966 521847120 /nfs/dbraw/zinc/84/71/20/521847120.db2.gz OKJWDPLQRBSMLT-HXUWFJFHSA-N 1 3 362.477 2.876 20 0 FFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635004691 521861788 /nfs/dbraw/zinc/86/17/88/521861788.db2.gz GBTHLCFOPIWHMG-CBQOVEMMSA-N 1 3 352.526 2.842 20 0 FFADHO COc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1NC(C)=O ZINC000635006996 521863786 /nfs/dbraw/zinc/86/37/86/521863786.db2.gz CXCDTYTXTOBFIZ-AWEZNQCLSA-N 1 3 369.469 2.631 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635011330 521864477 /nfs/dbraw/zinc/86/44/77/521864477.db2.gz NDZFOVLFJPRUAZ-WMLDXEAASA-N 1 3 353.532 2.877 20 0 FFADHO COc1ccc([C@@H](CCn2cncn2)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635011598 521866885 /nfs/dbraw/zinc/86/68/85/521866885.db2.gz NZDBKWWDJRFHGB-IEBWSBKVSA-N 1 3 357.502 2.786 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040670 521875557 /nfs/dbraw/zinc/87/55/57/521875557.db2.gz KDCFYPCNHPHMIF-UNEWFSDZSA-N 1 3 355.320 2.940 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040670 521875565 /nfs/dbraw/zinc/87/55/65/521875565.db2.gz KDCFYPCNHPHMIF-UNEWFSDZSA-N 1 3 355.320 2.940 20 0 FFADHO Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000626143602 521965007 /nfs/dbraw/zinc/96/50/07/521965007.db2.gz YLOKYEJFZUAAEI-RBUKOAKNSA-N 1 3 356.470 2.984 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C34CCC[NH+](CCC3)C4)c(C)c2)CC1 ZINC000635123508 521965496 /nfs/dbraw/zinc/96/54/96/521965496.db2.gz JJXBSNKOCNQEAN-UHFFFAOYSA-N 1 3 370.541 2.951 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OC1CC1 ZINC000623453283 522033436 /nfs/dbraw/zinc/03/34/36/522033436.db2.gz HQXZUUKPLPICJW-OALUTQOASA-N 1 3 360.498 2.704 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1CCN1C1CCCC1 ZINC000623599983 522151400 /nfs/dbraw/zinc/15/14/00/522151400.db2.gz XDBAHIULEWMIDJ-IBGZPJMESA-N 1 3 350.551 2.959 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000635528204 522337804 /nfs/dbraw/zinc/33/78/04/522337804.db2.gz PDMHJBJSIANACK-HZPDHXFCSA-N 1 3 364.559 2.962 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCCCO1 ZINC000623915532 522364710 /nfs/dbraw/zinc/36/47/10/522364710.db2.gz ISYVOLZOTBZRJC-PXNSSMCTSA-N 1 3 359.514 2.559 20 0 FFADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000632952089 522422480 /nfs/dbraw/zinc/42/24/80/522422480.db2.gz DTVJIYAAXFUJKZ-GXTWGEPZSA-N 1 3 366.893 2.766 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000632953318 522424322 /nfs/dbraw/zinc/42/43/22/522424322.db2.gz UAJNLYWRUWGGMO-FQEVSTJZSA-N 1 3 350.466 2.994 20 0 FFADHO CC(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CCN1C ZINC000633135352 522547037 /nfs/dbraw/zinc/54/70/37/522547037.db2.gz VWXDSGJXWPBOTB-YLJYHZDGSA-N 1 3 373.545 2.589 20 0 FFADHO CCN(CC[NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000627031269 522604907 /nfs/dbraw/zinc/60/49/07/522604907.db2.gz UQMGJNLULHKOCU-LEWJYISDSA-N 1 3 366.509 2.645 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N(C)C ZINC000627033395 522606796 /nfs/dbraw/zinc/60/67/96/522606796.db2.gz IJUPKRXWBLVTFE-PLWAMTLXSA-N 1 3 358.530 2.627 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000627166235 522690689 /nfs/dbraw/zinc/69/06/89/522690689.db2.gz ARBCDSLKAQXYGW-RSPOEFSDSA-N 1 3 358.530 2.821 20 0 FFADHO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000621644160 522993326 /nfs/dbraw/zinc/99/33/26/522993326.db2.gz QZSUXRYCZDEXFE-KRWDZBQOSA-N 1 3 359.514 2.609 20 0 FFADHO COc1cc(CCC[NH2+]C2CCN(c3ccncc3)CC2)cc(OC)c1O ZINC000621743084 523054467 /nfs/dbraw/zinc/05/44/67/523054467.db2.gz GXWOWZZXORTTJE-UHFFFAOYSA-N 1 3 371.481 2.996 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cc2)cc1 ZINC000622044955 523236292 /nfs/dbraw/zinc/23/62/92/523236292.db2.gz YRXAJLYDQJVQBV-NHCUHLMSSA-N 1 3 367.493 2.967 20 0 FFADHO CN1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000622453511 523396133 /nfs/dbraw/zinc/39/61/33/523396133.db2.gz CCFRVDXDRMYLPJ-UHFFFAOYSA-N 1 3 358.530 2.910 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701469 523588757 /nfs/dbraw/zinc/58/87/57/523588757.db2.gz QGRNBRWWYDOKOP-MLGOLLRUSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701469 523588769 /nfs/dbraw/zinc/58/87/69/523588769.db2.gz QGRNBRWWYDOKOP-MLGOLLRUSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701469 523588778 /nfs/dbraw/zinc/58/87/78/523588778.db2.gz QGRNBRWWYDOKOP-MLGOLLRUSA-N 1 3 359.297 2.807 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)C[C@@H]1C ZINC000637372018 523590212 /nfs/dbraw/zinc/59/02/12/523590212.db2.gz IIHYYNWAWHCFHF-WDSOQIARSA-N 1 3 350.551 2.908 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)C[C@@H]1C ZINC000637372018 523590220 /nfs/dbraw/zinc/59/02/20/523590220.db2.gz IIHYYNWAWHCFHF-WDSOQIARSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000634704293 523590899 /nfs/dbraw/zinc/59/08/99/523590899.db2.gz JHSBELFNIWNOHU-DSBNJHONSA-N 1 3 358.526 2.684 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000634704293 523590911 /nfs/dbraw/zinc/59/09/11/523590911.db2.gz JHSBELFNIWNOHU-DSBNJHONSA-N 1 3 358.526 2.684 20 0 FFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)C1 ZINC000631648032 523733633 /nfs/dbraw/zinc/73/36/33/523733633.db2.gz UUUBCVQSPZWGGE-ANULTFPQSA-N 1 3 356.510 2.691 20 0 FFADHO Cc1cc(NC(=O)CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)no1 ZINC000521319384 562174167 /nfs/dbraw/zinc/17/41/67/562174167.db2.gz RXLPPWSSHXXDEQ-RBUKOAKNSA-N 1 3 368.481 2.766 20 0 FFADHO Cc1cc(NC(=O)CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)no1 ZINC000521319384 562174168 /nfs/dbraw/zinc/17/41/68/562174168.db2.gz RXLPPWSSHXXDEQ-RBUKOAKNSA-N 1 3 368.481 2.766 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000164054564 728963958 /nfs/dbraw/zinc/96/39/58/728963958.db2.gz TUBSGNNFNZKBCN-QKPAOTATSA-N 1 3 355.523 2.819 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000164054564 728963959 /nfs/dbraw/zinc/96/39/59/728963959.db2.gz TUBSGNNFNZKBCN-QKPAOTATSA-N 1 3 355.523 2.819 20 0 FFADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[N@@H+]1C ZINC000279279576 729702658 /nfs/dbraw/zinc/70/26/58/729702658.db2.gz XKYAXIHCVOEWSB-WMZOPIPTSA-N 1 3 361.555 2.947 20 0 FFADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[N@H+]1C ZINC000279279576 729702660 /nfs/dbraw/zinc/70/26/60/729702660.db2.gz XKYAXIHCVOEWSB-WMZOPIPTSA-N 1 3 361.555 2.947 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418581969 729856467 /nfs/dbraw/zinc/85/64/67/729856467.db2.gz MPNLLQJBFAHUKV-DLBZAZTESA-N 1 3 352.910 2.683 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418581972 729856506 /nfs/dbraw/zinc/85/65/06/729856506.db2.gz MPNLLQJBFAHUKV-SJORKVTESA-N 1 3 352.910 2.683 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000644784122 730503480 /nfs/dbraw/zinc/50/34/80/730503480.db2.gz JTBZSOMJOCKEKH-GUYCJALGSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000644784122 730503481 /nfs/dbraw/zinc/50/34/81/730503481.db2.gz JTBZSOMJOCKEKH-GUYCJALGSA-N 1 3 359.297 2.761 20 0 FFADHO CCCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCN(C)C1 ZINC000645341228 730545768 /nfs/dbraw/zinc/54/57/68/730545768.db2.gz LIHYVGPJSWPYFW-IBGZPJMESA-N 1 3 350.551 2.909 20 0 FFADHO CCN1CCC[C@@H](C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862274473 730684782 /nfs/dbraw/zinc/68/47/82/730684782.db2.gz OPLAVXKUVMENGX-LSDHHAIUSA-N 1 3 361.477 2.953 20 0 FFADHO FC(F)(F)c1cc(Cl)c2nnc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2c1 ZINC000647791235 730762392 /nfs/dbraw/zinc/76/23/92/730762392.db2.gz BBWJIIJMXIAUSZ-CKYFFXLPSA-N 1 3 373.810 2.879 20 0 FFADHO C[C@@H](CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1cccc(Cl)c1 ZINC000863642794 730798360 /nfs/dbraw/zinc/79/83/60/730798360.db2.gz ABQGQVZRUWYNRB-VHSSKADRSA-N 1 3 363.889 2.701 20 0 FFADHO CC(C)([NH3+])CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000649338587 730877704 /nfs/dbraw/zinc/87/77/04/730877704.db2.gz NITNYZFJSCVKPX-UHFFFAOYSA-N 1 3 367.921 2.817 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)Cc2ccccc2)[C@H]1c1cccs1 ZINC000649341115 730878126 /nfs/dbraw/zinc/87/81/26/730878126.db2.gz NTCVYFOSUFHEGH-SCTDSRPQSA-N 1 3 357.523 2.817 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)Cc2ccccc2)[C@H]1c1cccs1 ZINC000649341115 730878128 /nfs/dbraw/zinc/87/81/28/730878128.db2.gz NTCVYFOSUFHEGH-SCTDSRPQSA-N 1 3 357.523 2.817 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000650707690 731021917 /nfs/dbraw/zinc/02/19/17/731021917.db2.gz KXSQYAOSAXFHFN-OLMNPRSZSA-N 1 3 350.890 2.993 20 0 FFADHO O=C(CNC[C@H]1CCCO1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252988 731251236 /nfs/dbraw/zinc/25/12/36/731251236.db2.gz BSPSVPKBDUCHDZ-QGZVFWFLSA-N 1 3 363.527 2.582 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NOCCCC(F)(F)F)CC2)CC1 ZINC000871215510 731607996 /nfs/dbraw/zinc/60/79/96/731607996.db2.gz DUDSNKZXNCONHV-UHFFFAOYSA-N 1 3 365.440 2.573 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(N2CCCOC2=O)cc1 ZINC000925778662 738529217 /nfs/dbraw/zinc/52/92/17/738529217.db2.gz USLQIVHHKJSFRS-HIFRSBDPSA-N 1 3 353.413 2.929 20 0 FFADHO CCOC(=O)C1(C(F)(F)F)CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000923525110 738297108 /nfs/dbraw/zinc/29/71/08/738297108.db2.gz MMQHDQLIAMKAAD-UHFFFAOYSA-N 1 3 350.425 2.974 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc(F)ccc3OC(F)F)C2)CC1 ZINC000657358728 731773076 /nfs/dbraw/zinc/77/30/76/731773076.db2.gz GRJWKNHRTSYNOG-OAHLLOKOSA-N 1 3 357.420 2.685 20 0 FFADHO COc1cc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1SC ZINC000925855368 738537753 /nfs/dbraw/zinc/53/77/53/738537753.db2.gz PCUNAUOURXTFMF-ZFWWWQNUSA-N 1 3 364.511 2.753 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1nc2ccc(Cl)cc2n1C ZINC000657572570 731791859 /nfs/dbraw/zinc/79/18/59/731791859.db2.gz BHKKWMCYOBHILL-AWEZNQCLSA-N 1 3 351.926 2.588 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000876723043 732272519 /nfs/dbraw/zinc/27/25/19/732272519.db2.gz LSAPCBGUDYBCEM-KBPBESRZSA-N 1 3 364.559 2.911 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000876753334 732276817 /nfs/dbraw/zinc/27/68/17/732276817.db2.gz CRSDGYJRSAQWNL-MRXNPFEDSA-N 1 3 362.543 2.619 20 0 FFADHO FC(F)(F)COc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)nn1 ZINC000662291990 732293764 /nfs/dbraw/zinc/29/37/64/732293764.db2.gz BOXGCNMSXNQBPN-CQSZACIVSA-N 1 3 358.408 2.629 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000662399387 732311294 /nfs/dbraw/zinc/31/12/94/732311294.db2.gz RYSWKJUVHLEZEV-HUUCEWRRSA-N 1 3 360.376 2.719 20 0 FFADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@@H]3CC3(Cl)Cl)c2)C1 ZINC000877026550 732314227 /nfs/dbraw/zinc/31/42/27/732314227.db2.gz FBURRQGZSWSQSX-HOTGVXAUSA-N 1 3 370.324 2.667 20 0 FFADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H]3CC3(Cl)Cl)c2)C1 ZINC000877026550 732314231 /nfs/dbraw/zinc/31/42/31/732314231.db2.gz FBURRQGZSWSQSX-HOTGVXAUSA-N 1 3 370.324 2.667 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc4c(s3)CCNC4)C2)CC1 ZINC000662429135 732314897 /nfs/dbraw/zinc/31/48/97/732314897.db2.gz SPWHYNJWKGRUDZ-MRXNPFEDSA-N 1 3 361.555 2.978 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1c(F)cccc1Cl ZINC000663859359 732504996 /nfs/dbraw/zinc/50/49/96/732504996.db2.gz TUOGKFYQARLWJM-ZDUSSCGKSA-N 1 3 358.889 2.550 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1c(F)cccc1Cl ZINC000663859359 732504998 /nfs/dbraw/zinc/50/49/98/732504998.db2.gz TUOGKFYQARLWJM-ZDUSSCGKSA-N 1 3 358.889 2.550 20 0 FFADHO C[C@H](NC(=O)NCCCCCCC[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000781378206 738622106 /nfs/dbraw/zinc/62/21/06/738622106.db2.gz FKTGKAJMUFHMOT-SFHVURJKSA-N 1 3 350.551 2.982 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000664970841 732654034 /nfs/dbraw/zinc/65/40/34/732654034.db2.gz PNSXYVJJXUYNOG-FUHWJXTLSA-N 1 3 364.559 2.795 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000664970841 732654037 /nfs/dbraw/zinc/65/40/37/732654037.db2.gz PNSXYVJJXUYNOG-FUHWJXTLSA-N 1 3 364.559 2.795 20 0 FFADHO CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665948484 732776970 /nfs/dbraw/zinc/77/69/70/732776970.db2.gz CAKJZAZJUXLBEO-HOTGVXAUSA-N 1 3 350.507 2.788 20 0 FFADHO CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665948484 732776976 /nfs/dbraw/zinc/77/69/76/732776976.db2.gz CAKJZAZJUXLBEO-HOTGVXAUSA-N 1 3 350.507 2.788 20 0 FFADHO COc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000666761315 732894016 /nfs/dbraw/zinc/89/40/16/732894016.db2.gz VVBINEWWUSOTFV-AWEZNQCLSA-N 1 3 354.470 2.536 20 0 FFADHO COc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000666761315 732894020 /nfs/dbraw/zinc/89/40/20/732894020.db2.gz VVBINEWWUSOTFV-AWEZNQCLSA-N 1 3 354.470 2.536 20 0 FFADHO CN(C)CCN(C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000667337580 732984016 /nfs/dbraw/zinc/98/40/16/732984016.db2.gz LKBJHYQKZCJNMU-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1[O-] ZINC000667812333 733038975 /nfs/dbraw/zinc/03/89/75/733038975.db2.gz JRNHZBZGKHJXAG-OAHLLOKOSA-N 1 3 365.543 2.602 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1[O-] ZINC000667812333 733038979 /nfs/dbraw/zinc/03/89/79/733038979.db2.gz JRNHZBZGKHJXAG-OAHLLOKOSA-N 1 3 365.543 2.602 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[C@H]1[NH3+] ZINC000668661154 733150485 /nfs/dbraw/zinc/15/04/85/733150485.db2.gz QVRYLGYXMIKNIA-OAGGEKHMSA-N 1 3 350.532 2.654 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000670128492 733308986 /nfs/dbraw/zinc/30/89/86/733308986.db2.gz VGXNPPPBCMVJNK-MSOLQXFVSA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000670128492 733308988 /nfs/dbraw/zinc/30/89/88/733308988.db2.gz VGXNPPPBCMVJNK-MSOLQXFVSA-N 1 3 364.921 2.726 20 0 FFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cn1 ZINC000684553746 734246518 /nfs/dbraw/zinc/24/65/18/734246518.db2.gz UDFVKICGVNDTID-ZFWWWQNUSA-N 1 3 367.335 2.663 20 0 FFADHO CN(CCCN(C)Cc1c(F)cccc1N1CCCC1)CC[NH+](C)C ZINC000685475867 734315010 /nfs/dbraw/zinc/31/50/10/734315010.db2.gz VFWUBJYXXYKNMD-UHFFFAOYSA-N 1 3 350.526 2.741 20 0 FFADHO Cc1ccc([C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000727085648 734464902 /nfs/dbraw/zinc/46/49/02/734464902.db2.gz QZPIVTGXIIZCPK-KRWDZBQOSA-N 1 3 350.576 2.650 20 0 FFADHO O=S(=O)(CCN1CCC[C@H]1C1CCC1)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000728288831 734521915 /nfs/dbraw/zinc/52/19/15/734521915.db2.gz CLXMPCFLXNPFEH-PMACEKPBSA-N 1 3 368.587 2.930 20 0 FFADHO O=S(=O)(CCN1CCC[C@H]1C1CCC1)CC[N@H+]1CCC[C@H]1C1CCC1 ZINC000728288831 734521917 /nfs/dbraw/zinc/52/19/17/734521917.db2.gz CLXMPCFLXNPFEH-PMACEKPBSA-N 1 3 368.587 2.930 20 0 FFADHO OC1CC[NH+](Cc2ccc(CNCc3cn4ccnc4s3)cc2)CC1 ZINC000892396395 734554036 /nfs/dbraw/zinc/55/40/36/734554036.db2.gz BDODKWOGHOMQLS-UHFFFAOYSA-N 1 3 356.495 2.642 20 0 FFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(C4(O)CCOCC4)CC3)CC2)C1 ZINC000903349761 736078634 /nfs/dbraw/zinc/07/86/34/736078634.db2.gz KICSGFLZYCZREB-HKUYNNGSSA-N 1 3 350.547 2.941 20 0 FFADHO COc1cc(Br)c(CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496468 736102509 /nfs/dbraw/zinc/10/25/09/736102509.db2.gz OVHNSNOIKHAOCG-VXGBXAGGSA-N 1 3 357.292 2.883 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903761661 736163884 /nfs/dbraw/zinc/16/38/84/736163884.db2.gz YWUQETBRRRPBKD-ZJIFWQFVSA-N 1 3 350.425 2.705 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905074325 736292915 /nfs/dbraw/zinc/29/29/15/736292915.db2.gz GOWZCKDVACILTN-CQSZACIVSA-N 1 3 370.362 2.665 20 0 FFADHO CC[NH+](CC)CC1CCN(C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000917060502 737738994 /nfs/dbraw/zinc/73/89/94/737738994.db2.gz ZHHNIWTUDWPKRF-IBGZPJMESA-N 1 3 350.503 2.791 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922386905 738135003 /nfs/dbraw/zinc/13/50/03/738135003.db2.gz JXZIGKVUOLGGRV-ZAWLATJESA-N 1 3 352.906 2.918 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922386905 738135006 /nfs/dbraw/zinc/13/50/06/738135006.db2.gz JXZIGKVUOLGGRV-ZAWLATJESA-N 1 3 352.906 2.918 20 0 FFADHO CC(C)COC[C@H](O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923342818 738274413 /nfs/dbraw/zinc/27/44/13/738274413.db2.gz RERBMSBAWCLYLD-QZTJIDSGSA-N 1 3 352.544 2.726 20 0 FFADHO C[C@@H](NC(CN)C[NH3+])c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000923352615 738274600 /nfs/dbraw/zinc/27/46/00/738274600.db2.gz YIIPMNHCWAQUSG-CYBMUJFWSA-N 1 3 357.889 2.675 20 0 FFADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788306269 739231601 /nfs/dbraw/zinc/23/16/01/739231601.db2.gz MQZSXIODNDXFAB-UHFFFAOYSA-N 1 3 363.527 2.953 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796676547 740170211 /nfs/dbraw/zinc/17/02/11/740170211.db2.gz FRTAABJGPQYCML-BBWFWOEESA-N 1 3 357.539 2.625 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000806495423 741064793 /nfs/dbraw/zinc/06/47/93/741064793.db2.gz GOMAQNUUABKKQH-BBWFWOEESA-N 1 3 350.507 2.882 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC000999189676 742054580 /nfs/dbraw/zinc/05/45/80/742054580.db2.gz MSHMESFTFMCUDJ-XOKHGSTOSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC000999189676 742054586 /nfs/dbraw/zinc/05/45/86/742054586.db2.gz MSHMESFTFMCUDJ-XOKHGSTOSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(CCCc3ccsc3)CC2)CC[N@@H+]1C ZINC001000702147 742094493 /nfs/dbraw/zinc/09/44/93/742094493.db2.gz QZZZDFKPNDXDNY-VQIMIIECSA-N 1 3 361.555 2.769 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(CCCc3ccsc3)CC2)CC[N@H+]1C ZINC001000702147 742094498 /nfs/dbraw/zinc/09/44/98/742094498.db2.gz QZZZDFKPNDXDNY-VQIMIIECSA-N 1 3 361.555 2.769 20 0 FFADHO Fc1cc(Br)ccc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817902232 742221223 /nfs/dbraw/zinc/22/12/23/742221223.db2.gz LLQWYIWYXSFJCV-HYVNUMGLSA-N 1 3 371.294 2.877 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000818945770 742311841 /nfs/dbraw/zinc/31/18/41/742311841.db2.gz NYVTTYMRNYKQLT-INIZCTEOSA-N 1 3 357.267 2.838 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000819085359 742336087 /nfs/dbraw/zinc/33/60/87/742336087.db2.gz UMQDYZSEUPGIEF-FZKQIMNGSA-N 1 3 356.869 2.603 20 0 FFADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000819173994 742348121 /nfs/dbraw/zinc/34/81/21/742348121.db2.gz NJOMKBVESDTXET-QRVBRYPASA-N 1 3 352.906 2.731 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2cccc(Cl)c2C1 ZINC000820087070 742462163 /nfs/dbraw/zinc/46/21/63/742462163.db2.gz PSCFTAPBJBXGOX-AWEZNQCLSA-N 1 3 352.910 2.637 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2cccc(Cl)c2C1 ZINC000820087070 742462166 /nfs/dbraw/zinc/46/21/66/742462166.db2.gz PSCFTAPBJBXGOX-AWEZNQCLSA-N 1 3 352.910 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC001018866103 742515981 /nfs/dbraw/zinc/51/59/81/742515981.db2.gz SGLXJCKLXMJVGV-VHDGCEQUSA-N 1 3 353.869 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC001018866103 742515984 /nfs/dbraw/zinc/51/59/84/742515984.db2.gz SGLXJCKLXMJVGV-VHDGCEQUSA-N 1 3 353.869 2.510 20 0 FFADHO Cc1nsc(C)c1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024967510 742737473 /nfs/dbraw/zinc/73/74/73/742737473.db2.gz SHTLBUIPKCUOOW-DJIMGWMZSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nsc(C)c1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024967510 742737478 /nfs/dbraw/zinc/73/74/78/742737478.db2.gz SHTLBUIPKCUOOW-DJIMGWMZSA-N 1 3 364.559 2.571 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccsc2)C3)CC[N@@H+]1C ZINC001040209032 742998565 /nfs/dbraw/zinc/99/85/65/742998565.db2.gz FGDRCUSNPCUDKF-POAQFYNOSA-N 1 3 361.555 2.903 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccsc2)C3)CC[N@H+]1C ZINC001040209032 742998569 /nfs/dbraw/zinc/99/85/69/742998569.db2.gz FGDRCUSNPCUDKF-POAQFYNOSA-N 1 3 361.555 2.903 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001045044604 743246808 /nfs/dbraw/zinc/24/68/08/743246808.db2.gz PDWPNVDJYPLDDN-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cccc(Cl)n2)CC[N@H+]1C ZINC001045044604 743246811 /nfs/dbraw/zinc/24/68/11/743246811.db2.gz PDWPNVDJYPLDDN-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1Br ZINC000825344348 743253508 /nfs/dbraw/zinc/25/35/08/743253508.db2.gz VTXWQRRMBIHGIN-QGZVFWFLSA-N 1 3 353.304 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](CNCc3nccs3)CC2)CC[N@@H+]1C ZINC001050329978 743511569 /nfs/dbraw/zinc/51/15/69/743511569.db2.gz WDNYHANTEBFLLL-LUKYLMHMSA-N 1 3 364.559 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](CNCc3nccs3)CC2)CC[N@H+]1C ZINC001050329978 743511577 /nfs/dbraw/zinc/51/15/77/743511577.db2.gz WDNYHANTEBFLLL-LUKYLMHMSA-N 1 3 364.559 2.638 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000834911447 745923424 /nfs/dbraw/zinc/92/34/24/745923424.db2.gz SWEMUFJCBXDTJI-IWCQGFGOSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000834911447 745923425 /nfs/dbraw/zinc/92/34/25/745923425.db2.gz SWEMUFJCBXDTJI-IWCQGFGOSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000834911447 745923428 /nfs/dbraw/zinc/92/34/28/745923428.db2.gz SWEMUFJCBXDTJI-IWCQGFGOSA-N 1 3 353.304 2.945 20 0 FFADHO CCCC[C@@H](C)N(CCCC)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000840090274 746997855 /nfs/dbraw/zinc/99/78/55/746997855.db2.gz DLBHFQQJFXNBPS-MRXNPFEDSA-N 1 3 352.523 2.641 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@H](SC)C3)CC2)CC1 ZINC000847528297 748720718 /nfs/dbraw/zinc/72/07/18/748720718.db2.gz FRIFWUINYUAVRK-WMZOPIPTSA-N 1 3 353.576 2.583 20 0 FFADHO CC[C@@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000849061083 749043614 /nfs/dbraw/zinc/04/36/14/749043614.db2.gz LSIWGMKXPVVQQM-KRWDZBQOSA-N 1 3 363.937 2.861 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(Cl)ccc12 ZINC000849106606 749052983 /nfs/dbraw/zinc/05/29/83/749052983.db2.gz ZAYQLHSYGGDDBW-INIZCTEOSA-N 1 3 361.921 2.972 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](COC)c1ccc(Cl)cc1 ZINC000849114647 749056442 /nfs/dbraw/zinc/05/64/42/749056442.db2.gz PICQFWJFTMRXHT-WBVHZDCISA-N 1 3 352.910 2.668 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)n1 ZINC000852927397 749973953 /nfs/dbraw/zinc/97/39/53/749973953.db2.gz MSNWZWVPAYOATC-DOTOQJQBSA-N 1 3 364.921 2.672 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)n1 ZINC000852927397 749973960 /nfs/dbraw/zinc/97/39/60/749973960.db2.gz MSNWZWVPAYOATC-DOTOQJQBSA-N 1 3 364.921 2.672 20 0 FFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000853093278 750007214 /nfs/dbraw/zinc/00/72/14/750007214.db2.gz HQZLCPSJXAQHNM-SFHVURJKSA-N 1 3 351.535 2.955 20 0 FFADHO CN1CCC(NC(=S)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000060837381 845432224 /nfs/dbraw/zinc/43/22/24/845432224.db2.gz QVFMPCXODHXKPI-UHFFFAOYSA-N 1 3 366.600 2.518 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(C)c(C)s2)C1 ZINC001104938646 971189376 /nfs/dbraw/zinc/18/93/76/971189376.db2.gz ZNCHCRVIJVAWID-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964634 971355352 /nfs/dbraw/zinc/35/53/52/971355352.db2.gz UFTWOBPCZCQNFN-HLAWJBBLSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964634 971355359 /nfs/dbraw/zinc/35/53/59/971355359.db2.gz UFTWOBPCZCQNFN-HLAWJBBLSA-N 1 3 370.541 2.543 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001105064234 971438308 /nfs/dbraw/zinc/43/83/08/971438308.db2.gz FBSNSNCECQCLBF-NVXWUHKLSA-N 1 3 366.937 2.649 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCOC)C1 ZINC001105067184 971444378 /nfs/dbraw/zinc/44/43/78/971444378.db2.gz QSAREFUKVUWAIZ-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000136573426 971545575 /nfs/dbraw/zinc/54/55/75/971545575.db2.gz AEXGBFZPNKFKET-MSOLQXFVSA-N 1 3 358.486 2.836 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001087993353 971739204 /nfs/dbraw/zinc/73/92/04/971739204.db2.gz LSNFKZYWZRZDKG-SVFBPWRDSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001087993353 971739207 /nfs/dbraw/zinc/73/92/07/971739207.db2.gz LSNFKZYWZRZDKG-SVFBPWRDSA-N 1 3 370.541 2.625 20 0 FFADHO CCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087993145 971737765 /nfs/dbraw/zinc/73/77/65/971737765.db2.gz BOOIECLDJNSURH-BHIFYINESA-N 1 3 369.553 2.870 20 0 FFADHO CCc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087993145 971737771 /nfs/dbraw/zinc/73/77/71/971737771.db2.gz BOOIECLDJNSURH-BHIFYINESA-N 1 3 369.553 2.870 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)sc3C)CC[C@@H]2C1)N(C)C ZINC001088011334 971845614 /nfs/dbraw/zinc/84/56/14/971845614.db2.gz JACDJHKWHMTBRH-NZSAHSFTSA-N 1 3 363.571 2.985 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)sc3C)CC[C@@H]2C1)N(C)C ZINC001088011334 971845618 /nfs/dbraw/zinc/84/56/18/971845618.db2.gz JACDJHKWHMTBRH-NZSAHSFTSA-N 1 3 363.571 2.985 20 0 FFADHO [NH3+][C@H](C[C@@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1)C1CCCC1 ZINC000872157693 1013158598 /nfs/dbraw/zinc/15/85/98/1013158598.db2.gz QSROZQGBOHBZNB-QFBILLFUSA-N 1 3 354.498 2.814 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000654996900 959256824 /nfs/dbraw/zinc/25/68/24/959256824.db2.gz JKUMMCZZQMYFML-GFOJFJKKSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000654996900 959256839 /nfs/dbraw/zinc/25/68/39/959256839.db2.gz JKUMMCZZQMYFML-GFOJFJKKSA-N 1 3 355.526 2.745 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(COC)CCCC3)CC2)CC1 ZINC000655139466 959522187 /nfs/dbraw/zinc/52/21/87/959522187.db2.gz FVTJFCVWFPLENC-UHFFFAOYSA-N 1 3 365.562 2.506 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Nc2ccncc2)cc1 ZINC000655350754 959795493 /nfs/dbraw/zinc/79/54/93/959795493.db2.gz JBHIXGDHMRZDSH-WOJBJXKFSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Nc2ccncc2)cc1 ZINC000655350754 959795498 /nfs/dbraw/zinc/79/54/98/959795498.db2.gz JBHIXGDHMRZDSH-WOJBJXKFSA-N 1 3 350.466 2.994 20 0 FFADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c2ccccc2)CC1 ZINC000655445619 959965674 /nfs/dbraw/zinc/96/56/74/959965674.db2.gz FAHBDNVHTISFQU-KCZVDYSFSA-N 1 3 355.526 2.966 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000313077787 972521929 /nfs/dbraw/zinc/52/19/29/972521929.db2.gz WMAOEIPKMSZESE-PXNSSMCTSA-N 1 3 367.493 2.551 20 0 FFADHO N#Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1F ZINC000397495336 960712401 /nfs/dbraw/zinc/71/24/01/960712401.db2.gz PTAVYWMQTBHHNU-UHFFFAOYSA-N 1 3 353.441 2.814 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655737828 961210392 /nfs/dbraw/zinc/21/03/92/961210392.db2.gz DSSURARMDZXLFN-OAQYLSRUSA-N 1 3 372.557 2.802 20 0 FFADHO Cc1nn(-c2ccccc2F)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000655748805 961246325 /nfs/dbraw/zinc/24/63/25/961246325.db2.gz JRYMDFHVIZNLQK-UHFFFAOYSA-N 1 3 360.477 2.645 20 0 FFADHO COc1ccccc1OCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397563279 961484811 /nfs/dbraw/zinc/48/48/11/961484811.db2.gz ZJJOYDRAZHKMMB-UHFFFAOYSA-N 1 3 370.493 2.691 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC[C@H]1CCCCO1 ZINC001104287311 961812590 /nfs/dbraw/zinc/81/25/90/961812590.db2.gz CBKPOQLQBWGTCP-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N)Cc2ccccc2C1)Cc1ccccc1 ZINC000649292452 1013325773 /nfs/dbraw/zinc/32/57/73/1013325773.db2.gz IFKWGWVZJIYVJZ-OAQYLSRUSA-N 1 3 365.521 2.552 20 0 FFADHO COc1ccc(Cn2cc(CNC3CCC(C[NH+](C)C)CC3)nn2)cc1 ZINC000873096843 1013383061 /nfs/dbraw/zinc/38/30/61/1013383061.db2.gz YGFONYVSSMTMML-UHFFFAOYSA-N 1 3 357.502 2.545 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C ZINC001087135043 963083052 /nfs/dbraw/zinc/08/30/52/963083052.db2.gz PCVWIZOWKAATOR-XPGWFJOJSA-N 1 3 361.505 2.945 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001087134968 963084519 /nfs/dbraw/zinc/08/45/19/963084519.db2.gz MOTSDOXFSZQJQI-ALKREAHSSA-N 1 3 365.468 2.776 20 0 FFADHO OCCN(CCCC1CC[NH2+]CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000649413517 1013409396 /nfs/dbraw/zinc/40/93/96/1013409396.db2.gz CCXZQHAEVWJRSZ-UHFFFAOYSA-N 1 3 356.514 2.506 20 0 FFADHO C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]21)N1CCCCCC1 ZINC001083215318 963569342 /nfs/dbraw/zinc/56/93/42/963569342.db2.gz RXDUTONKQJYPRF-GBESFXJTSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]21)N1CCCCCC1 ZINC001083215318 963569349 /nfs/dbraw/zinc/56/93/49/963569349.db2.gz RXDUTONKQJYPRF-GBESFXJTSA-N 1 3 365.562 2.599 20 0 FFADHO CCOc1ccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1F ZINC000873218402 1013430473 /nfs/dbraw/zinc/43/04/73/1013430473.db2.gz GDGJPYYYUCRMLT-UHFFFAOYSA-N 1 3 355.417 2.554 20 0 FFADHO Cc1cc(F)ccc1CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960644055 1013436971 /nfs/dbraw/zinc/43/69/71/1013436971.db2.gz VBXAODHZENCUFU-LSTHTHJFSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1cc(F)ccc1CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960644055 1013436973 /nfs/dbraw/zinc/43/69/73/1013436973.db2.gz VBXAODHZENCUFU-LSTHTHJFSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(Cl)n2)C1)N(C)C ZINC001104347206 963698279 /nfs/dbraw/zinc/69/82/79/963698279.db2.gz SMYSRYHEDHXGRS-BFYDXBDKSA-N 1 3 366.937 2.649 20 0 FFADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243028 1013442619 /nfs/dbraw/zinc/44/26/19/1013442619.db2.gz IPJLFGUKDDTFOZ-MGPUTAFESA-N 1 3 351.454 2.592 20 0 FFADHO CC(C)Oc1ccccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261862005 964059796 /nfs/dbraw/zinc/05/97/96/964059796.db2.gz NGTANNYYXXYRGB-MJGOQNOKSA-N 1 3 359.514 2.554 20 0 FFADHO CN1CCN(c2ccc(CNC3CC[NH+](C4CCCCC4)CC3)cn2)CC1 ZINC000130444724 964472470 /nfs/dbraw/zinc/47/24/70/964472470.db2.gz ARZXSYRBEYGUMB-UHFFFAOYSA-N 1 3 371.573 2.720 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001087175633 965102243 /nfs/dbraw/zinc/10/22/43/965102243.db2.gz XVLVAHSCYWPJFL-NEWSRXKRSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000892086005 965952549 /nfs/dbraw/zinc/95/25/49/965952549.db2.gz FRGOKQXOGLRGSG-OAQYLSRUSA-N 1 3 364.493 2.672 20 0 FFADHO c1cc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)n(CC2CC2)n1 ZINC000657314722 966101871 /nfs/dbraw/zinc/10/18/71/966101871.db2.gz BSBVHBIQOIFUMX-UHFFFAOYSA-N 1 3 367.541 2.985 20 0 FFADHO Cc1ncsc1-c1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000657350345 966248537 /nfs/dbraw/zinc/24/85/37/966248537.db2.gz UVYYMNXBYUNZAD-SFHVURJKSA-N 1 3 372.538 2.796 20 0 FFADHO Cn1cnnc1C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000091795837 967210141 /nfs/dbraw/zinc/21/01/41/967210141.db2.gz SHQFGODIFXGCTN-UHFFFAOYSA-N 1 3 369.513 2.669 20 0 FFADHO C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNCc2ccccc2F)C1 ZINC001087236817 967486598 /nfs/dbraw/zinc/48/65/98/967486598.db2.gz MJTLFTYIPFIHBO-AEFFLSMTSA-N 1 3 359.489 2.638 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(OC)c1OC ZINC000650721771 967602861 /nfs/dbraw/zinc/60/28/61/967602861.db2.gz ATRIDBFRADMMFM-NUJGCVRESA-N 1 3 364.486 2.573 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCc2ccccc2)CC[N@@H+]1C ZINC001029314119 967687359 /nfs/dbraw/zinc/68/73/59/967687359.db2.gz CXTXWUSDXXHRBV-JSXRDJHFSA-N 1 3 355.526 2.635 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCc2ccccc2)CC[N@H+]1C ZINC001029314119 967687363 /nfs/dbraw/zinc/68/73/63/967687363.db2.gz CXTXWUSDXXHRBV-JSXRDJHFSA-N 1 3 355.526 2.635 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc(C)nc1C ZINC001087574008 968202145 /nfs/dbraw/zinc/20/21/45/968202145.db2.gz OEPDVAWGHZGIAB-PCCBWWKXSA-N 1 3 370.541 2.509 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCOc1ccc(C)cc1 ZINC001087578480 968232903 /nfs/dbraw/zinc/23/29/03/968232903.db2.gz XZJLJFRGTAZNNT-AYWYSENESA-N 1 3 373.541 2.683 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCOc1ccc(C)cc1 ZINC001087578480 968232912 /nfs/dbraw/zinc/23/29/12/968232912.db2.gz XZJLJFRGTAZNNT-AYWYSENESA-N 1 3 373.541 2.683 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080700666 968346634 /nfs/dbraw/zinc/34/66/34/968346634.db2.gz RLANTFDLJVBCNU-NHCUHLMSSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080700666 968346639 /nfs/dbraw/zinc/34/66/39/968346639.db2.gz RLANTFDLJVBCNU-NHCUHLMSSA-N 1 3 370.541 2.777 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000658162203 968563932 /nfs/dbraw/zinc/56/39/32/968563932.db2.gz CGXDXBJBPVAGQO-KRWDZBQOSA-N 1 3 354.498 2.918 20 0 FFADHO COC[C@@H](CC1CCOCC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165898 968565112 /nfs/dbraw/zinc/56/51/12/968565112.db2.gz SOZFBLAMQGQCEA-OAQYLSRUSA-N 1 3 361.530 2.715 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4cccnc4CC3)cc2)CC1 ZINC000421821027 968669898 /nfs/dbraw/zinc/66/98/98/968669898.db2.gz PAAMPVIOIYJKGT-JOCHJYFZSA-N 1 3 364.537 2.866 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@@H+]1CCOC1CCC1 ZINC001087749725 968892038 /nfs/dbraw/zinc/89/20/38/968892038.db2.gz WUOUDYKIJJJICF-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@H+]1CCOC1CCC1 ZINC001087749725 968892049 /nfs/dbraw/zinc/89/20/49/968892049.db2.gz WUOUDYKIJJJICF-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@H](NC/C(Cl)=C/Cl)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267486726 969124195 /nfs/dbraw/zinc/12/41/95/969124195.db2.gz JMZFNWCFCFZTKQ-ZZGWTJCZSA-N 1 3 362.345 2.862 20 0 FFADHO C[C@H](NC/C(Cl)=C/Cl)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267486726 969124201 /nfs/dbraw/zinc/12/42/01/969124201.db2.gz JMZFNWCFCFZTKQ-ZZGWTJCZSA-N 1 3 362.345 2.862 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000659030391 969645392 /nfs/dbraw/zinc/64/53/92/969645392.db2.gz GNFINJYUQTYMBV-MDZRGWNJSA-N 1 3 360.502 2.732 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[N@H+]1CCCC[C@H]1C ZINC000659030391 969645395 /nfs/dbraw/zinc/64/53/95/969645395.db2.gz GNFINJYUQTYMBV-MDZRGWNJSA-N 1 3 360.502 2.732 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659031691 969646804 /nfs/dbraw/zinc/64/68/04/969646804.db2.gz NTELJHAAXQTGGC-IBGZPJMESA-N 1 3 360.502 2.589 20 0 FFADHO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659034837 969651810 /nfs/dbraw/zinc/65/18/10/969651810.db2.gz QZSLIKYMWWKCLM-IBGZPJMESA-N 1 3 360.502 2.781 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)CC[C@H]1c1ccc(F)cc1 ZINC000659322125 969830894 /nfs/dbraw/zinc/83/08/94/969830894.db2.gz GGFOPBNLOVRBAE-SXLOBPIMSA-N 1 3 353.441 2.704 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNCc1ccc(F)cc1F ZINC001104600178 969908402 /nfs/dbraw/zinc/90/84/02/969908402.db2.gz ZJMLMPNAJGLRIT-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000659424942 969912708 /nfs/dbraw/zinc/91/27/08/969912708.db2.gz DNASNUYZQDYAFL-PMACEKPBSA-N 1 3 358.530 2.711 20 0 FFADHO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647651371 969918841 /nfs/dbraw/zinc/91/88/41/969918841.db2.gz JNZJXBZBCXBBBB-UYAOXDASSA-N 1 3 361.505 2.980 20 0 FFADHO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647651371 969918845 /nfs/dbraw/zinc/91/88/45/969918845.db2.gz JNZJXBZBCXBBBB-UYAOXDASSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)COCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682158 970094861 /nfs/dbraw/zinc/09/48/61/970094861.db2.gz DPONHBBODICTFX-RTBURBONSA-N 1 3 369.594 2.711 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc(Cl)n1 ZINC000825776778 1014006036 /nfs/dbraw/zinc/00/60/36/1014006036.db2.gz VTJATBAHEJGZQY-MSOLQXFVSA-N 1 3 374.916 2.722 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001116033341 1032079092 /nfs/dbraw/zinc/07/90/92/1032079092.db2.gz SCWZLFOELNPSTR-XUVXKRRUSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC000660912910 973125926 /nfs/dbraw/zinc/12/59/26/973125926.db2.gz DLDAUQMCTXJFNM-SKWRMQMOSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC000660912910 973125932 /nfs/dbraw/zinc/12/59/32/973125932.db2.gz DLDAUQMCTXJFNM-SKWRMQMOSA-N 1 3 371.569 2.940 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncccc3C)CC[C@@H]2C1 ZINC001088212710 973681224 /nfs/dbraw/zinc/68/12/24/973681224.db2.gz JKFWZSMGFSUQOR-DYXWJJEUSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncccc3C)CC[C@@H]2C1 ZINC001088212710 973681230 /nfs/dbraw/zinc/68/12/30/973681230.db2.gz JKFWZSMGFSUQOR-DYXWJJEUSA-N 1 3 370.541 2.545 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001116039353 1032084506 /nfs/dbraw/zinc/08/45/06/1032084506.db2.gz BXJMBKPDGCIMNJ-IRXDYDNUSA-N 1 3 368.591 2.520 20 0 FFADHO CCN(C(=O)NCCC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000652319094 974850779 /nfs/dbraw/zinc/85/07/79/974850779.db2.gz LMHWTJNYHROSSY-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348192 974952350 /nfs/dbraw/zinc/95/23/50/974952350.db2.gz WZEHTTSFLVQFGU-ZIBCJSCZSA-N 1 3 373.541 2.560 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1cccc(OC)c1 ZINC000653106774 1014226973 /nfs/dbraw/zinc/22/69/73/1014226973.db2.gz MWRIZFBJHPQCDV-XUVXKRRUSA-N 1 3 359.514 2.725 20 0 FFADHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000662286418 975403880 /nfs/dbraw/zinc/40/38/80/975403880.db2.gz HINPMAJZLOQEMA-UHFFFAOYSA-N 1 3 369.465 2.512 20 0 FFADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291667 975407786 /nfs/dbraw/zinc/40/77/86/975407786.db2.gz XBWXEJCXMSVEMJ-VQIMIIECSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294208 975408223 /nfs/dbraw/zinc/40/82/23/975408223.db2.gz CAZQCMUNISRYKJ-QUCCMNQESA-N 1 3 373.541 2.590 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662507529 975662930 /nfs/dbraw/zinc/66/29/30/975662930.db2.gz PKEHVGKPCKKNBY-HNNXBMFYSA-N 1 3 350.466 2.640 20 0 FFADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662557020 975701094 /nfs/dbraw/zinc/70/10/94/975701094.db2.gz ZCTZIQBRORFEEM-SBHAEUEKSA-N 1 3 367.493 2.522 20 0 FFADHO C[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@H]1CC[NH3+] ZINC000653240248 1014281193 /nfs/dbraw/zinc/28/11/93/1014281193.db2.gz LXSCHOCTNUZUHP-CTNGQTDRSA-N 1 3 372.557 2.565 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596227 975730363 /nfs/dbraw/zinc/73/03/63/975730363.db2.gz HOIJKDANEOINCM-SFTDATJTSA-N 1 3 370.541 2.532 20 0 FFADHO [NH3+][C@H](CC1CCCCC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638725 975780981 /nfs/dbraw/zinc/78/09/81/975780981.db2.gz VPQPYFCEMWCVRR-HXUWFJFHSA-N 1 3 358.530 2.708 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663400388 975790837 /nfs/dbraw/zinc/79/08/37/975790837.db2.gz PVRBJUIIMNRPOV-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663400388 975790850 /nfs/dbraw/zinc/79/08/50/975790850.db2.gz PVRBJUIIMNRPOV-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663460108 975965369 /nfs/dbraw/zinc/96/53/69/975965369.db2.gz YBYCGQBRZIMRFB-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663460108 975965371 /nfs/dbraw/zinc/96/53/71/975965371.db2.gz YBYCGQBRZIMRFB-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001112531938 975967168 /nfs/dbraw/zinc/96/71/68/975967168.db2.gz YIJQYYZVJQWAGL-GZWGRDOWSA-N 1 3 355.954 2.935 20 0 FFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001112531939 975967602 /nfs/dbraw/zinc/96/76/02/975967602.db2.gz YIJQYYZVJQWAGL-ZPVFIGDESA-N 1 3 355.954 2.935 20 0 FFADHO COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663499731 976068706 /nfs/dbraw/zinc/06/87/06/976068706.db2.gz LOIMDQPHVYBJOM-DLBZAZTESA-N 1 3 364.534 2.636 20 0 FFADHO COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663499731 976068721 /nfs/dbraw/zinc/06/87/21/976068721.db2.gz LOIMDQPHVYBJOM-DLBZAZTESA-N 1 3 364.534 2.636 20 0 FFADHO CC[C@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000663627172 976508090 /nfs/dbraw/zinc/50/80/90/976508090.db2.gz CJMLZKRYZQYDDY-UXHICEINSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000663627172 976508097 /nfs/dbraw/zinc/50/80/97/976508097.db2.gz CJMLZKRYZQYDDY-UXHICEINSA-N 1 3 358.530 2.559 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(N4CCCC4)c3)CC2)CC1 ZINC000667642311 976571304 /nfs/dbraw/zinc/57/13/04/976571304.db2.gz WNZWXCOIIKMVHF-UHFFFAOYSA-N 1 3 370.541 2.575 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088817768 977040885 /nfs/dbraw/zinc/04/08/85/977040885.db2.gz GODRCGJFBRBKHP-JSJNYSNDSA-N 1 3 368.525 2.977 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088817768 977040895 /nfs/dbraw/zinc/04/08/95/977040895.db2.gz GODRCGJFBRBKHP-JSJNYSNDSA-N 1 3 368.525 2.977 20 0 FFADHO C[C@H](F)CCN1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006711 977106412 /nfs/dbraw/zinc/10/64/12/977106412.db2.gz NUJADDQQAGCXED-SXLOBPIMSA-N 1 3 361.505 2.614 20 0 FFADHO C[C@H](F)CCN1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006711 977106416 /nfs/dbraw/zinc/10/64/16/977106416.db2.gz NUJADDQQAGCXED-SXLOBPIMSA-N 1 3 361.505 2.614 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000645178161 977925909 /nfs/dbraw/zinc/92/59/09/977925909.db2.gz ARXJCHVRPDAPAK-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645178161 977925910 /nfs/dbraw/zinc/92/59/10/977925910.db2.gz ARXJCHVRPDAPAK-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO F[C@@H]1CC2(CC[C@@H]1N1C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000894144462 977981680 /nfs/dbraw/zinc/98/16/80/977981680.db2.gz AVIYALHCYIFMKC-WCIQWLHISA-N 1 3 360.473 2.684 20 0 FFADHO F[C@@H]1CC2(CC[C@@H]1N1C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000894144462 977981686 /nfs/dbraw/zinc/98/16/86/977981686.db2.gz AVIYALHCYIFMKC-WCIQWLHISA-N 1 3 360.473 2.684 20 0 FFADHO CNC(=O)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Cc1ccc(C(F)(F)F)cc1 ZINC000647804419 978316749 /nfs/dbraw/zinc/31/67/49/978316749.db2.gz QDJNPBJCJBMUFL-QRTARXTBSA-N 1 3 371.447 2.588 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000894233687 978359947 /nfs/dbraw/zinc/35/99/47/978359947.db2.gz QYQINQYEKKPJNK-DYESRHJHSA-N 1 3 370.541 2.823 20 0 FFADHO Cc1nc(C(C)C)ccc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968728452 1014482346 /nfs/dbraw/zinc/48/23/46/1014482346.db2.gz PQPSCDWMNAXBCX-BHIYHBOVSA-N 1 3 358.530 2.544 20 0 FFADHO Cc1nc(C(C)C)ccc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968728452 1014482354 /nfs/dbraw/zinc/48/23/54/1014482354.db2.gz PQPSCDWMNAXBCX-BHIYHBOVSA-N 1 3 358.530 2.544 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645259172 978418298 /nfs/dbraw/zinc/41/82/98/978418298.db2.gz NMCACKUYKPJXGX-SFTDATJTSA-N 1 3 372.557 2.677 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645259172 978418300 /nfs/dbraw/zinc/41/83/00/978418300.db2.gz NMCACKUYKPJXGX-SFTDATJTSA-N 1 3 372.557 2.677 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242521 979274941 /nfs/dbraw/zinc/27/49/41/979274941.db2.gz IFWVZERIRRHTAG-DZFGPLHGSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242521 979274946 /nfs/dbraw/zinc/27/49/46/979274946.db2.gz IFWVZERIRRHTAG-DZFGPLHGSA-N 1 3 355.526 2.624 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001076567995 979665414 /nfs/dbraw/zinc/66/54/14/979665414.db2.gz PUYSKKXVJVPNJN-PWRODBHTSA-N 1 3 353.510 2.548 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001076567995 979665421 /nfs/dbraw/zinc/66/54/21/979665421.db2.gz PUYSKKXVJVPNJN-PWRODBHTSA-N 1 3 353.510 2.548 20 0 FFADHO Cc1cccnc1CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866881 1014604493 /nfs/dbraw/zinc/60/44/93/1014604493.db2.gz NGUFHFPTXKAGGX-GUDVDZBRSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cccnc1CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866881 1014604499 /nfs/dbraw/zinc/60/44/99/1014604499.db2.gz NGUFHFPTXKAGGX-GUDVDZBRSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ncccc1CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968867010 1014604790 /nfs/dbraw/zinc/60/47/90/1014604790.db2.gz QAKUHHNFGLNYSK-MISYRCLQSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ncccc1CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968867010 1014604795 /nfs/dbraw/zinc/60/47/95/1014604795.db2.gz QAKUHHNFGLNYSK-MISYRCLQSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1cccc2cccnc21 ZINC001088836002 979846004 /nfs/dbraw/zinc/84/60/04/979846004.db2.gz ZIRPDTUSGURSFM-UZLBHIALSA-N 1 3 366.509 2.656 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])cc2)CC1 ZINC000904282433 980233910 /nfs/dbraw/zinc/23/39/10/980233910.db2.gz SLXLSFBSPSHFRG-DYESRHJHSA-N 1 3 371.529 2.564 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1c[nH]nc1-c1c(F)cccc1F)CC2 ZINC000904391495 980261577 /nfs/dbraw/zinc/26/15/77/980261577.db2.gz HEMFSUKWQGAXBR-CQSZACIVSA-N 1 3 362.424 2.685 20 0 FFADHO CCc1cccc(CN2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)c1 ZINC001088571841 981165326 /nfs/dbraw/zinc/16/53/26/981165326.db2.gz PIXVMUIKRPPFFB-CZAAIQMYSA-N 1 3 355.526 2.670 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000654408202 1014712669 /nfs/dbraw/zinc/71/26/69/1014712669.db2.gz YPGOEUKAPZNMRZ-AQNXPRMDSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000654408202 1014712683 /nfs/dbraw/zinc/71/26/83/1014712683.db2.gz YPGOEUKAPZNMRZ-AQNXPRMDSA-N 1 3 358.530 2.914 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)c2)CC1 ZINC000666736859 981298381 /nfs/dbraw/zinc/29/83/81/981298381.db2.gz URHUXCBLROTJGH-IBGZPJMESA-N 1 3 373.545 2.823 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)c2)CC1 ZINC000666736859 981298383 /nfs/dbraw/zinc/29/83/83/981298383.db2.gz URHUXCBLROTJGH-IBGZPJMESA-N 1 3 373.545 2.823 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000666754715 981354316 /nfs/dbraw/zinc/35/43/16/981354316.db2.gz RZNYTYDOAIQDEF-APWZRJJASA-N 1 3 364.509 2.848 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccc(C)cc2)[C@@H]1C ZINC001088605082 981420387 /nfs/dbraw/zinc/42/03/87/981420387.db2.gz GHAQYAUUAKHSLI-GIVPXCGWSA-N 1 3 357.542 2.991 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccc(C)cc2)[C@@H]1C ZINC001088605082 981420391 /nfs/dbraw/zinc/42/03/91/981420391.db2.gz GHAQYAUUAKHSLI-GIVPXCGWSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000237407052 981561827 /nfs/dbraw/zinc/56/18/27/981561827.db2.gz FKMVHHRNHHHEFE-PKOBYXMFSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483340847 981784085 /nfs/dbraw/zinc/78/40/85/981784085.db2.gz WXEITELGYVVWIL-YQVWRLOYSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483340847 981784087 /nfs/dbraw/zinc/78/40/87/981784087.db2.gz WXEITELGYVVWIL-YQVWRLOYSA-N 1 3 353.551 2.503 20 0 FFADHO CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000654659260 1014826277 /nfs/dbraw/zinc/82/62/77/1014826277.db2.gz FITLBZJXURWLRJ-AQNXPRMDSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C(=S)NCC1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000760493377 982446907 /nfs/dbraw/zinc/44/69/07/982446907.db2.gz YYSWNTWDFRBSNQ-HXUWFJFHSA-N 1 3 374.598 2.799 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CCCc1ccccc1 ZINC001088702574 983013649 /nfs/dbraw/zinc/01/36/49/983013649.db2.gz WZURICLPMKLPOE-QUCCMNQESA-N 1 3 355.526 2.827 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CCCc1ccccc1 ZINC001088702574 983013655 /nfs/dbraw/zinc/01/36/55/983013655.db2.gz WZURICLPMKLPOE-QUCCMNQESA-N 1 3 355.526 2.827 20 0 FFADHO NC(=O)c1ccc(O[C@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168395349 984473646 /nfs/dbraw/zinc/47/36/46/984473646.db2.gz WKMIPSIZFHXCEE-FQEVSTJZSA-N 1 3 357.498 2.503 20 0 FFADHO NC(=O)c1ccc(O[C@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168395349 984473649 /nfs/dbraw/zinc/47/36/49/984473649.db2.gz WKMIPSIZFHXCEE-FQEVSTJZSA-N 1 3 357.498 2.503 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454312 984559427 /nfs/dbraw/zinc/55/94/27/984559427.db2.gz BEUWDKQRWJMAPE-WIYYLYMNSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454312 984559432 /nfs/dbraw/zinc/55/94/32/984559432.db2.gz BEUWDKQRWJMAPE-WIYYLYMNSA-N 1 3 367.578 2.894 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCC[NH2+]C1 ZINC000669483622 984651887 /nfs/dbraw/zinc/65/18/87/984651887.db2.gz FARFHVRPMTXAKC-FPOVZHCZSA-N 1 3 358.530 2.903 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccsc2)CC3)C1 ZINC001107549674 984667590 /nfs/dbraw/zinc/66/75/90/984667590.db2.gz DECCYFWHVALNOR-ILZDJORESA-N 1 3 361.555 2.951 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2ccsc2)CC3)C1 ZINC001107549674 984667592 /nfs/dbraw/zinc/66/75/92/984667592.db2.gz DECCYFWHVALNOR-ILZDJORESA-N 1 3 361.555 2.951 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1C)CC2)N(C)C ZINC001107553705 984684054 /nfs/dbraw/zinc/68/40/54/984684054.db2.gz MIAHDMJKLMSEMT-QKNQBKEWSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1C)CC2)N(C)C ZINC001107553705 984684057 /nfs/dbraw/zinc/68/40/57/984684057.db2.gz MIAHDMJKLMSEMT-QKNQBKEWSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@H](C[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000158225992 984811020 /nfs/dbraw/zinc/81/10/20/984811020.db2.gz GFTOTCPOAYWQDM-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669586904 984866652 /nfs/dbraw/zinc/86/66/52/984866652.db2.gz PXOHKWPSKDCVRA-MJGOQNOKSA-N 1 3 362.518 2.518 20 0 FFADHO CCOC1CC(C[N@@H+]2CC[C@@]3(CNC(=O)CN(C)C(C)C)CCC[C@@H]23)C1 ZINC001107646551 984938518 /nfs/dbraw/zinc/93/85/18/984938518.db2.gz KDRUCSXEYVUDKA-SDVBZNEUSA-N 1 3 365.562 2.503 20 0 FFADHO CCOC1CC(C[N@H+]2CC[C@@]3(CNC(=O)CN(C)C(C)C)CCC[C@@H]23)C1 ZINC001107646551 984938522 /nfs/dbraw/zinc/93/85/22/984938522.db2.gz KDRUCSXEYVUDKA-SDVBZNEUSA-N 1 3 365.562 2.503 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903068649 986174099 /nfs/dbraw/zinc/17/40/99/986174099.db2.gz JTLSUDHOCKIVOI-DYESRHJHSA-N 1 3 363.521 2.909 20 0 FFADHO CO[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001212437004 986991538 /nfs/dbraw/zinc/99/15/38/986991538.db2.gz VLEBOIVHDZMOEM-QRVBRYPASA-N 1 3 367.578 2.604 20 0 FFADHO CO[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001212437004 986991542 /nfs/dbraw/zinc/99/15/42/986991542.db2.gz VLEBOIVHDZMOEM-QRVBRYPASA-N 1 3 367.578 2.604 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C2)CC[N@@H+]1C ZINC001106151433 987282020 /nfs/dbraw/zinc/28/20/20/987282020.db2.gz RXLDWJWLFQHGBD-FHRJDNMPSA-N 1 3 362.345 2.720 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C2)CC[N@H+]1C ZINC001106151433 987282028 /nfs/dbraw/zinc/28/20/28/987282028.db2.gz RXLDWJWLFQHGBD-FHRJDNMPSA-N 1 3 362.345 2.720 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106198952 987628700 /nfs/dbraw/zinc/62/87/00/987628700.db2.gz UDBINJQZBYPUKG-YALWURKWSA-N 1 3 368.324 2.669 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000673142685 987826583 /nfs/dbraw/zinc/82/65/83/987826583.db2.gz PSPHOLBMZAPPPI-FUHWJXTLSA-N 1 3 371.485 2.636 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001085196509 988102521 /nfs/dbraw/zinc/10/25/21/988102521.db2.gz BWWUIULJWOHYNO-BRWVUGGUSA-N 1 3 350.532 2.533 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)ccc2O1 ZINC000922239630 988224693 /nfs/dbraw/zinc/22/46/93/988224693.db2.gz JSHKLKDGJFQTLU-IIBYNOLFSA-N 1 3 352.478 2.866 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)ccc2O1 ZINC000922239630 988224703 /nfs/dbraw/zinc/22/47/03/988224703.db2.gz JSHKLKDGJFQTLU-IIBYNOLFSA-N 1 3 352.478 2.866 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC000922389179 988536523 /nfs/dbraw/zinc/53/65/23/988536523.db2.gz SFPNJJPZGBEXMG-YUMYIRISSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC000922389179 988536533 /nfs/dbraw/zinc/53/65/33/988536533.db2.gz SFPNJJPZGBEXMG-YUMYIRISSA-N 1 3 368.525 2.501 20 0 FFADHO Cc1ncsc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672104 988619689 /nfs/dbraw/zinc/61/96/89/988619689.db2.gz FAVFXCMTVHCHLY-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3cccc4cccnc43)C2)CC[N@@H+]1C ZINC001033093262 988774826 /nfs/dbraw/zinc/77/48/26/988774826.db2.gz CFZZDEWEAWBISI-NSISKUIASA-N 1 3 366.509 2.608 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3cccc4cccnc43)C2)CC[N@H+]1C ZINC001033093262 988774831 /nfs/dbraw/zinc/77/48/31/988774831.db2.gz CFZZDEWEAWBISI-NSISKUIASA-N 1 3 366.509 2.608 20 0 FFADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)O2 ZINC000922793396 988909330 /nfs/dbraw/zinc/90/93/30/988909330.db2.gz DJTUCTQAKMEPQS-ZXXPYMPCSA-N 1 3 364.530 2.872 20 0 FFADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000922793396 988909338 /nfs/dbraw/zinc/90/93/38/988909338.db2.gz DJTUCTQAKMEPQS-ZXXPYMPCSA-N 1 3 364.530 2.872 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000651992691 1015434124 /nfs/dbraw/zinc/43/41/24/1015434124.db2.gz YDSKEPTXEWKEFE-XMGTWHOFSA-N 1 3 367.537 2.888 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000763058635 989002068 /nfs/dbraw/zinc/00/20/68/989002068.db2.gz QDVALUCDWMQRBU-NRFANRHFSA-N 1 3 355.526 2.985 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000763058635 989002077 /nfs/dbraw/zinc/00/20/77/989002077.db2.gz QDVALUCDWMQRBU-NRFANRHFSA-N 1 3 355.526 2.985 20 0 FFADHO c1ccc([C@H]2CC[C@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C[NH2+]2)cc1 ZINC001212211824 989165974 /nfs/dbraw/zinc/16/59/74/989165974.db2.gz IBVZCECAFYEDHG-DLBZAZTESA-N 1 3 361.449 2.986 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)[N@H+](C)C1CC1 ZINC000673773709 989243740 /nfs/dbraw/zinc/24/37/40/989243740.db2.gz KLZVSDJRBQVQSF-QZTJIDSGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000673773709 989243747 /nfs/dbraw/zinc/24/37/47/989243747.db2.gz KLZVSDJRBQVQSF-QZTJIDSGSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)[C@H]1c1ccccc1 ZINC000652174037 1015488062 /nfs/dbraw/zinc/48/80/62/1015488062.db2.gz FUZFFUXZPSEPIA-RTBURBONSA-N 1 3 356.445 2.529 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346622 1015533925 /nfs/dbraw/zinc/53/39/25/1015533925.db2.gz BMZFVPYRSCGCKY-WOZUAGRISA-N 1 3 373.541 2.814 20 0 FFADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H]1CCN ZINC000652354050 1015537085 /nfs/dbraw/zinc/53/70/85/1015537085.db2.gz LOLCUGNYKYNPFK-QFBILLFUSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H]1CCN ZINC000652354050 1015537097 /nfs/dbraw/zinc/53/70/97/1015537097.db2.gz LOLCUGNYKYNPFK-QFBILLFUSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H]1CC[NH3+] ZINC000652354050 1015537105 /nfs/dbraw/zinc/53/71/05/1015537105.db2.gz LOLCUGNYKYNPFK-QFBILLFUSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000675742352 990367817 /nfs/dbraw/zinc/36/78/17/990367817.db2.gz NKEPYHZRJRBREU-CTNGQTDRSA-N 1 3 358.574 2.513 20 0 FFADHO O=C(CN1CC[C@H]2CSC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000879560583 1015587240 /nfs/dbraw/zinc/58/72/40/1015587240.db2.gz XUIGAHPXTKPVTH-PMACEKPBSA-N 1 3 373.566 2.584 20 0 FFADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000923487081 991177460 /nfs/dbraw/zinc/17/74/60/991177460.db2.gz WQAOKHWCUYDFAZ-KKSFZXQISA-N 1 3 369.534 2.893 20 0 FFADHO O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000238102527 991471145 /nfs/dbraw/zinc/47/11/45/991471145.db2.gz CPMGIOYHUHIMAZ-IBGZPJMESA-N 1 3 372.513 2.972 20 0 FFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181720820 991863802 /nfs/dbraw/zinc/86/38/02/991863802.db2.gz DZBOIXODPDTSCU-AWEZNQCLSA-N 1 3 366.437 2.869 20 0 FFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181720820 991863813 /nfs/dbraw/zinc/86/38/13/991863813.db2.gz DZBOIXODPDTSCU-AWEZNQCLSA-N 1 3 366.437 2.869 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CC2)C1)N(C)C ZINC001079197374 991912891 /nfs/dbraw/zinc/91/28/91/991912891.db2.gz FPOZMYVUDKVPIN-XUVXKRRUSA-N 1 3 361.505 2.706 20 0 FFADHO C[C@H](CCN1CCC(c2ncc[nH]2)CC1)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000269247452 992022067 /nfs/dbraw/zinc/02/20/67/992022067.db2.gz ACYBUDCMSMEZDZ-MRXNPFEDSA-N 1 3 356.518 2.970 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c(C)s1 ZINC001079707714 992348132 /nfs/dbraw/zinc/34/81/32/992348132.db2.gz RLFBMZASISFZER-UPRAQXHNSA-N 1 3 361.555 2.643 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOc3cccc(C)c3)C[C@H]2C)CC[N@@H+]1C ZINC001079732621 992371780 /nfs/dbraw/zinc/37/17/80/992371780.db2.gz PZVMWZWCUUEGHV-GFOJFJKKSA-N 1 3 373.541 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOc3cccc(C)c3)C[C@H]2C)CC[N@H+]1C ZINC001079732621 992371790 /nfs/dbraw/zinc/37/17/90/992371790.db2.gz PZVMWZWCUUEGHV-GFOJFJKKSA-N 1 3 373.541 2.541 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(CO)CCOCC2)ccc1OC ZINC000183369538 992429911 /nfs/dbraw/zinc/42/99/11/992429911.db2.gz FEIZADWRZFRFES-KRWDZBQOSA-N 1 3 364.530 2.977 20 0 FFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001080037020 992687240 /nfs/dbraw/zinc/68/72/40/992687240.db2.gz CKIRZEIVHHUJMH-YLJYHZDGSA-N 1 3 355.526 2.814 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1NC(=O)c1ccn(-c2ccncc2)n1 ZINC001080106940 992740262 /nfs/dbraw/zinc/74/02/62/992740262.db2.gz HJTWPBPSSSIEHS-RDTXWAMCSA-N 1 3 367.478 2.579 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1NC(=O)c1ccn(-c2ccncc2)n1 ZINC001080106940 992740272 /nfs/dbraw/zinc/74/02/72/992740272.db2.gz HJTWPBPSSSIEHS-RDTXWAMCSA-N 1 3 367.478 2.579 20 0 FFADHO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254973 992893504 /nfs/dbraw/zinc/89/35/04/992893504.db2.gz KLRCLCZWNNBFOD-NSISKUIASA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254973 992893511 /nfs/dbraw/zinc/89/35/11/992893511.db2.gz KLRCLCZWNNBFOD-NSISKUIASA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377240 992993301 /nfs/dbraw/zinc/99/33/01/992993301.db2.gz HJVPCWLMRIISRO-IIBYNOLFSA-N 1 3 366.509 2.513 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1)C1CC1 ZINC001081125610 993652610 /nfs/dbraw/zinc/65/26/10/993652610.db2.gz IZNAZQCAGPTXHP-HBMCJLEFSA-N 1 3 355.526 2.711 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1c1ccccc1 ZINC001081179894 993739217 /nfs/dbraw/zinc/73/92/17/993739217.db2.gz PZXPBHGADLGCDS-UEXGIBASSA-N 1 3 361.505 2.803 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001081884983 994006439 /nfs/dbraw/zinc/00/64/39/994006439.db2.gz VEQQNONHNWPYON-HSALFYBXSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001081884983 994006445 /nfs/dbraw/zinc/00/64/45/994006445.db2.gz VEQQNONHNWPYON-HSALFYBXSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCC(C)C)CC1)N(C)C ZINC001131570131 994408532 /nfs/dbraw/zinc/40/85/32/994408532.db2.gz COMGDQXZKMYUJK-AABGKKOBSA-N 1 3 367.578 2.749 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001131596992 994443925 /nfs/dbraw/zinc/44/39/25/994443925.db2.gz FHWJOEWHKHPIIG-MHVQWJQTSA-N 1 3 365.562 2.670 20 0 FFADHO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000809975582 994654579 /nfs/dbraw/zinc/65/45/79/994654579.db2.gz ODRFTFFSRXKNII-TWOQFEAHSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000809975582 994654584 /nfs/dbraw/zinc/65/45/84/994654584.db2.gz ODRFTFFSRXKNII-TWOQFEAHSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000809975582 994654589 /nfs/dbraw/zinc/65/45/89/994654589.db2.gz ODRFTFFSRXKNII-TWOQFEAHSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001082559794 994933019 /nfs/dbraw/zinc/93/30/19/994933019.db2.gz PMWBIFRDRQHYKR-NXOUGTEYSA-N 1 3 367.896 2.756 20 0 FFADHO Cc1cc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c(C)c1 ZINC001082559841 994933152 /nfs/dbraw/zinc/93/31/52/994933152.db2.gz QQZSCMBZNRMOTE-UIFIKXQLSA-N 1 3 357.542 2.889 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1ccc(F)cc1Cl ZINC001082559424 994933860 /nfs/dbraw/zinc/93/38/60/994933860.db2.gz FFAAMMSEYCINKX-NXOUGTEYSA-N 1 3 367.896 2.756 20 0 FFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001082560034 994936681 /nfs/dbraw/zinc/93/66/81/994936681.db2.gz XSSVBOZLMYLXLR-NIKGAXFTSA-N 1 3 363.933 2.925 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082570207 994965852 /nfs/dbraw/zinc/96/58/52/994965852.db2.gz BWOFDQXVAPQFMZ-MDASCCDHSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082570207 994965863 /nfs/dbraw/zinc/96/58/63/994965863.db2.gz BWOFDQXVAPQFMZ-MDASCCDHSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1)N(C)C ZINC001082589782 995003019 /nfs/dbraw/zinc/00/30/19/995003019.db2.gz OFPFBJZEEOVRSC-KBRIMQKVSA-N 1 3 371.447 2.982 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C)sn1 ZINC001082612382 995088675 /nfs/dbraw/zinc/08/86/75/995088675.db2.gz KXJXMOKOTZNUHD-OLMNPRSZSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C)sn1 ZINC001082612382 995088685 /nfs/dbraw/zinc/08/86/85/995088685.db2.gz KXJXMOKOTZNUHD-OLMNPRSZSA-N 1 3 364.559 2.508 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)C1 ZINC001082698574 995292442 /nfs/dbraw/zinc/29/24/42/995292442.db2.gz OUKIXRLXDHPQMZ-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)C1 ZINC001082698574 995292450 /nfs/dbraw/zinc/29/24/50/995292450.db2.gz OUKIXRLXDHPQMZ-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)C1 ZINC001082698573 995292710 /nfs/dbraw/zinc/29/27/10/995292710.db2.gz OUKIXRLXDHPQMZ-IMFGXOCKSA-N 1 3 361.505 2.884 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)C1 ZINC001082698573 995292718 /nfs/dbraw/zinc/29/27/18/995292718.db2.gz OUKIXRLXDHPQMZ-IMFGXOCKSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC2CC2)C1)N(C)C ZINC001082748299 995305122 /nfs/dbraw/zinc/30/51/22/995305122.db2.gz FOADJXQCGSCKAZ-LZQZEXGQSA-N 1 3 359.514 2.505 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001082740974 995394689 /nfs/dbraw/zinc/39/46/89/995394689.db2.gz MDTCXRUWRBUSKS-HBUWYVDXSA-N 1 3 367.896 2.900 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001082740789 995395118 /nfs/dbraw/zinc/39/51/18/995395118.db2.gz GLLIKTLLKIOFAK-LVCYWYKZSA-N 1 3 357.542 2.712 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001082740768 995395492 /nfs/dbraw/zinc/39/54/92/995395492.db2.gz GBDPEDPZEWQFHF-CBGDNZLLSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1ccc(F)cc1Cl ZINC001082742082 995397986 /nfs/dbraw/zinc/39/79/86/995397986.db2.gz QJWPGHGULZIWEB-PMUMKWKESA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1ccc(F)cc1Cl ZINC001082742082 995397992 /nfs/dbraw/zinc/39/79/92/995397992.db2.gz QJWPGHGULZIWEB-PMUMKWKESA-N 1 3 367.896 2.757 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cc1C ZINC001082743814 995402822 /nfs/dbraw/zinc/40/28/22/995402822.db2.gz DEUPELCCBNDYJE-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ncccc1CN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134482 1015944795 /nfs/dbraw/zinc/94/47/95/1015944795.db2.gz FHUXNUWFXFPISA-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1CN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134482 1015944802 /nfs/dbraw/zinc/94/48/02/1015944802.db2.gz FHUXNUWFXFPISA-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC001082766849 995451813 /nfs/dbraw/zinc/45/18/13/995451813.db2.gz DOORORXTZXLBSB-IIBYNOLFSA-N 1 3 362.477 2.785 20 0 FFADHO Cc1ccncc1CN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134330 1015946667 /nfs/dbraw/zinc/94/66/67/1015946667.db2.gz AAXHBWBFJPXMRY-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccncc1CN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134330 1015946673 /nfs/dbraw/zinc/94/66/73/1015946673.db2.gz AAXHBWBFJPXMRY-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000812992117 995593170 /nfs/dbraw/zinc/59/31/70/995593170.db2.gz UDSFJOQSEIANAT-HXUWFJFHSA-N 1 3 365.493 2.802 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)sn1 ZINC001082944025 995882319 /nfs/dbraw/zinc/88/23/19/995882319.db2.gz AAFREAGQYBQQJA-OLMNPRSZSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)CN(CC[C@H]2CCCO2)C3)CC[N@@H+]1C ZINC001054266467 1015999739 /nfs/dbraw/zinc/99/97/39/1015999739.db2.gz XJMSCGJPVACASV-MAODMQOUSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)CN(CC[C@H]2CCCO2)C3)CC[N@H+]1C ZINC001054266467 1015999747 /nfs/dbraw/zinc/99/97/47/1015999747.db2.gz XJMSCGJPVACASV-MAODMQOUSA-N 1 3 371.525 2.528 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084429047 996528555 /nfs/dbraw/zinc/52/85/55/996528555.db2.gz JBOLCZQRCXCXTH-VSKRKVRLSA-N 1 3 371.569 2.910 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084429047 996528558 /nfs/dbraw/zinc/52/85/58/996528558.db2.gz JBOLCZQRCXCXTH-VSKRKVRLSA-N 1 3 371.569 2.910 20 0 FFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084545241 996665826 /nfs/dbraw/zinc/66/58/26/996665826.db2.gz ASZKFXMSEPOYPU-YPAWHYETSA-N 1 3 367.537 2.636 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545357 996665843 /nfs/dbraw/zinc/66/58/43/996665843.db2.gz GXJSTSLUVABPLT-YPAWHYETSA-N 1 3 367.537 2.902 20 0 FFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)CC1 ZINC001084630571 996736586 /nfs/dbraw/zinc/73/65/86/996736586.db2.gz LOGMIERFVLYKDN-IFMALSPDSA-N 1 3 367.537 2.939 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844223720 997712888 /nfs/dbraw/zinc/71/28/88/997712888.db2.gz AJFXXARVNKIKCS-RTBURBONSA-N 1 3 370.541 2.937 20 0 FFADHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171116359 997780422 /nfs/dbraw/zinc/78/04/22/997780422.db2.gz OFQRBBLZZNCNPE-QGZVFWFLSA-N 1 3 350.890 2.944 20 0 FFADHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171116359 997780427 /nfs/dbraw/zinc/78/04/27/997780427.db2.gz OFQRBBLZZNCNPE-QGZVFWFLSA-N 1 3 350.890 2.944 20 0 FFADHO O=C(NCCN1CCCCC1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881134092 1016171756 /nfs/dbraw/zinc/17/17/56/1016171756.db2.gz BYJBIFHJXQZTBP-HXUWFJFHSA-N 1 3 371.529 2.578 20 0 FFADHO O=C(NCCN1CCCCC1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000881134092 1016171764 /nfs/dbraw/zinc/17/17/64/1016171764.db2.gz BYJBIFHJXQZTBP-HXUWFJFHSA-N 1 3 371.529 2.578 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000844642497 998053344 /nfs/dbraw/zinc/05/33/44/998053344.db2.gz JGZXLQMXCNJBNY-MXKODDBBSA-N 1 3 359.514 2.580 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cccnc4C)[C@H]3C2)CC[N@@H+]1C ZINC001084944867 998245985 /nfs/dbraw/zinc/24/59/85/998245985.db2.gz SVFYTEHEITZVTG-PMXSJFBMSA-N 1 3 370.541 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cccnc4C)[C@H]3C2)CC[N@H+]1C ZINC001084944867 998245993 /nfs/dbraw/zinc/24/59/93/998245993.db2.gz SVFYTEHEITZVTG-PMXSJFBMSA-N 1 3 370.541 2.543 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC001091036181 998252274 /nfs/dbraw/zinc/25/22/74/998252274.db2.gz YCUWTMLOWGJHBA-FKFRUQKQSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC001091036181 998252287 /nfs/dbraw/zinc/25/22/87/998252287.db2.gz YCUWTMLOWGJHBA-FKFRUQKQSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC001091037111 998257628 /nfs/dbraw/zinc/25/76/28/998257628.db2.gz FWWDGBSNDYLYQA-FKFRUQKQSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC001091037111 998257643 /nfs/dbraw/zinc/25/76/43/998257643.db2.gz FWWDGBSNDYLYQA-FKFRUQKQSA-N 1 3 367.896 2.804 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001084953541 998302334 /nfs/dbraw/zinc/30/23/34/998302334.db2.gz STGKALYFGWYYNN-HKBOAZHASA-N 1 3 355.526 2.984 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001084953541 998302343 /nfs/dbraw/zinc/30/23/43/998302343.db2.gz STGKALYFGWYYNN-HKBOAZHASA-N 1 3 355.526 2.984 20 0 FFADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(CN2CCCC2)c1 ZINC000733159220 998902187 /nfs/dbraw/zinc/90/21/87/998902187.db2.gz MPOGKQGQAZXHES-OAQYLSRUSA-N 1 3 371.525 2.656 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085092850 998924175 /nfs/dbraw/zinc/92/41/75/998924175.db2.gz SEXAJFGTLJAHMZ-NXGAYBDGSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085092850 998924181 /nfs/dbraw/zinc/92/41/81/998924181.db2.gz SEXAJFGTLJAHMZ-NXGAYBDGSA-N 1 3 353.510 2.574 20 0 FFADHO CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903879705 1016283213 /nfs/dbraw/zinc/28/32/13/1016283213.db2.gz HRRAYRGDNQYVPW-WMZOPIPTSA-N 1 3 357.502 2.664 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)C1 ZINC001085224874 999194419 /nfs/dbraw/zinc/19/44/19/999194419.db2.gz ZBKLXLYEKCUGKR-MISYRCLQSA-N 1 3 358.530 2.577 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)C1 ZINC001085224874 999194421 /nfs/dbraw/zinc/19/44/21/999194421.db2.gz ZBKLXLYEKCUGKR-MISYRCLQSA-N 1 3 358.530 2.577 20 0 FFADHO CC(C)(C)c1cccc(OCCNCc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903924701 1016309122 /nfs/dbraw/zinc/30/91/22/1016309122.db2.gz HTPKVERHDIXMHM-KRWDZBQOSA-N 1 3 357.502 2.669 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001085332491 999379226 /nfs/dbraw/zinc/37/92/26/999379226.db2.gz AEGSPOBJSNYZMX-FSPWUOQZSA-N 1 3 364.559 2.619 20 0 FFADHO Cc1cc(C)c(CN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1 ZINC001085604958 999592382 /nfs/dbraw/zinc/59/23/82/999592382.db2.gz WQHPVQDNKMVOGS-HSALFYBXSA-N 1 3 357.542 2.985 20 0 FFADHO Cc1cc(C)c(CN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC001085604958 999592385 /nfs/dbraw/zinc/59/23/85/999592385.db2.gz WQHPVQDNKMVOGS-HSALFYBXSA-N 1 3 357.542 2.985 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCOC1 ZINC001096608751 1016350029 /nfs/dbraw/zinc/35/00/29/1016350029.db2.gz CIPBDAFSRXKIBN-OFCAXSSNSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCOC1 ZINC001096608751 1016350040 /nfs/dbraw/zinc/35/00/40/1016350040.db2.gz CIPBDAFSRXKIBN-OFCAXSSNSA-N 1 3 371.525 2.510 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000743027686 999796765 /nfs/dbraw/zinc/79/67/65/999796765.db2.gz MOPDGBRCUCNCNK-LJQANCHMSA-N 1 3 374.598 2.799 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000743027686 999796769 /nfs/dbraw/zinc/79/67/69/999796769.db2.gz MOPDGBRCUCNCNK-LJQANCHMSA-N 1 3 374.598 2.799 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001086370973 999875657 /nfs/dbraw/zinc/87/56/57/999875657.db2.gz JOZKLPDDVJEIQB-TXJVSEOTSA-N 1 3 361.505 2.849 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001086370973 999875658 /nfs/dbraw/zinc/87/56/58/999875658.db2.gz JOZKLPDDVJEIQB-TXJVSEOTSA-N 1 3 361.505 2.849 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)C2 ZINC001169109427 1000025557 /nfs/dbraw/zinc/02/55/57/1000025557.db2.gz IFXHYBQSIYHMIC-LJCCNALRSA-N 1 3 363.933 2.928 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN([C@@H](C)CC(=O)N(CC)CC)CC1 ZINC001169487029 1000055362 /nfs/dbraw/zinc/05/53/62/1000055362.db2.gz NWXDEVWGWGFMGA-FQEVSTJZSA-N 1 3 368.610 2.763 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2cscn2)C1 ZINC001112565467 1001489298 /nfs/dbraw/zinc/48/92/98/1001489298.db2.gz DHLWMFIXFQRJEU-LPHOPBHVSA-N 1 3 364.559 2.593 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCOC)C1 ZINC001112585655 1001535926 /nfs/dbraw/zinc/53/59/26/1001535926.db2.gz KLOBAJGQYAWGEY-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]C(C)C)[C@H](OCC)C1 ZINC001087096243 1001783913 /nfs/dbraw/zinc/78/39/13/1001783913.db2.gz DQFSCUHKURSXKV-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CN(C(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001182970344 1002110454 /nfs/dbraw/zinc/11/04/54/1002110454.db2.gz YHHWJAZAIOVMEX-TZIWHRDSSA-N 1 3 364.493 2.641 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]3(C)C2)cs1 ZINC001091985842 1002181657 /nfs/dbraw/zinc/18/16/57/1002181657.db2.gz JOMQSRZFOYJTBQ-GGPKGHCWSA-N 1 3 363.571 2.923 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]3(C)C2)cs1 ZINC001091985842 1002181661 /nfs/dbraw/zinc/18/16/61/1002181661.db2.gz JOMQSRZFOYJTBQ-GGPKGHCWSA-N 1 3 363.571 2.923 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c1 ZINC001092010537 1002278144 /nfs/dbraw/zinc/27/81/44/1002278144.db2.gz GQOAXWGSXQRXES-UZKOGDIHSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c1 ZINC001092010537 1002278151 /nfs/dbraw/zinc/27/81/51/1002278151.db2.gz GQOAXWGSXQRXES-UZKOGDIHSA-N 1 3 355.526 2.617 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1 ZINC001092011199 1002280180 /nfs/dbraw/zinc/28/01/80/1002280180.db2.gz SORIIVOQLQWEEI-DSKINZAPSA-N 1 3 359.558 2.831 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1 ZINC001092011199 1002280185 /nfs/dbraw/zinc/28/01/85/1002280185.db2.gz SORIIVOQLQWEEI-DSKINZAPSA-N 1 3 359.558 2.831 20 0 FFADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012808 1002283037 /nfs/dbraw/zinc/28/30/37/1002283037.db2.gz ATALJIAMIMMAFB-JRGCBEDISA-N 1 3 365.537 2.945 20 0 FFADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012808 1002283045 /nfs/dbraw/zinc/28/30/45/1002283045.db2.gz ATALJIAMIMMAFB-JRGCBEDISA-N 1 3 365.537 2.945 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092012972 1002285902 /nfs/dbraw/zinc/28/59/02/1002285902.db2.gz FLKVPSDXDOMIBI-WGGBDISSSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092012972 1002285910 /nfs/dbraw/zinc/28/59/10/1002285910.db2.gz FLKVPSDXDOMIBI-WGGBDISSSA-N 1 3 369.553 2.926 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001092071153 1002368671 /nfs/dbraw/zinc/36/86/71/1002368671.db2.gz IRDRQIWIIPPTDO-CBQOVEMMSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001092071153 1002368682 /nfs/dbraw/zinc/36/86/82/1002368682.db2.gz IRDRQIWIIPPTDO-CBQOVEMMSA-N 1 3 370.541 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCF)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC001086589166 1002436637 /nfs/dbraw/zinc/43/66/37/1002436637.db2.gz LJVYOXHZOJHTAW-VNTMZGSJSA-N 1 3 361.505 2.661 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCF)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC001086589166 1002436642 /nfs/dbraw/zinc/43/66/42/1002436642.db2.gz LJVYOXHZOJHTAW-VNTMZGSJSA-N 1 3 361.505 2.661 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C[C@H]1C(F)(F)F ZINC001184388502 1002584623 /nfs/dbraw/zinc/58/46/23/1002584623.db2.gz QUHZMGFHMTUAFR-ZTYXSZCMSA-N 1 3 362.436 2.827 20 0 FFADHO C[C@@]12CN(CCC(F)(F)F)C[C@@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001092301758 1002633161 /nfs/dbraw/zinc/63/31/61/1002633161.db2.gz MLXSJYWWDICFLH-WBVHZDCISA-N 1 3 361.452 2.595 20 0 FFADHO C[C@@H](C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O)C(F)(F)F ZINC001276284994 1016716080 /nfs/dbraw/zinc/71/60/80/1016716080.db2.gz KRHXGQSBBZRCON-KBXCAEBGSA-N 1 3 369.431 2.737 20 0 FFADHO C[C@@H](C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O)C(F)(F)F ZINC001276284994 1016716097 /nfs/dbraw/zinc/71/60/97/1016716097.db2.gz KRHXGQSBBZRCON-KBXCAEBGSA-N 1 3 369.431 2.737 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN([C@@H](C)Cc3ccccc3Cl)CC[C@@H]2C1 ZINC001170273292 1003082719 /nfs/dbraw/zinc/08/27/19/1003082719.db2.gz LDXAYUZCKGMCSY-ILZDJORESA-N 1 3 366.933 2.940 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN([C@@H](C)Cc3ccccc3Cl)CC[C@@H]2C1 ZINC001170273292 1003082730 /nfs/dbraw/zinc/08/27/30/1003082730.db2.gz LDXAYUZCKGMCSY-ILZDJORESA-N 1 3 366.933 2.940 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001092676494 1003403085 /nfs/dbraw/zinc/40/30/85/1003403085.db2.gz AMCVITDOTXSALI-XNXMYHHNSA-N 1 3 353.938 2.830 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001092676494 1003403090 /nfs/dbraw/zinc/40/30/90/1003403090.db2.gz AMCVITDOTXSALI-XNXMYHHNSA-N 1 3 353.938 2.830 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1O ZINC001197722908 1004338625 /nfs/dbraw/zinc/33/86/25/1004338625.db2.gz BQYYWCIWKNYACI-WOJBJXKFSA-N 1 3 367.578 2.630 20 0 FFADHO Cc1cccc(C)c1OCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001489286553 1005449009 /nfs/dbraw/zinc/44/90/09/1005449009.db2.gz KPJAHQXOQNRZDB-MOPGFXCFSA-N 1 3 361.530 2.603 20 0 FFADHO CCCCOCCN1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001489293984 1005451162 /nfs/dbraw/zinc/45/11/62/1005451162.db2.gz RFOPYXXRWBIKHR-QYZOEREBSA-N 1 3 353.551 2.647 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001095685606 1016990036 /nfs/dbraw/zinc/99/00/36/1016990036.db2.gz NQOHELLLNHMGKD-HKBOAZHASA-N 1 3 367.537 2.969 20 0 FFADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000850433526 1005815308 /nfs/dbraw/zinc/81/53/08/1005815308.db2.gz KGVAAFIZLMMTIM-INIZCTEOSA-N 1 3 359.514 2.605 20 0 FFADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cn(C(C)C)cc1C(F)(F)F ZINC001187792653 1006242229 /nfs/dbraw/zinc/24/22/29/1006242229.db2.gz JPISZHGOINZBIF-UHFFFAOYSA-N 1 3 361.412 2.765 20 0 FFADHO C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000853241490 1006347013 /nfs/dbraw/zinc/34/70/13/1006347013.db2.gz WCVUIBLKVGORHF-AJSBUHFISA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000853241490 1006347031 /nfs/dbraw/zinc/34/70/31/1006347031.db2.gz WCVUIBLKVGORHF-AJSBUHFISA-N 1 3 371.569 2.988 20 0 FFADHO CC(C)c1ncc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000853250035 1006351339 /nfs/dbraw/zinc/35/13/39/1006351339.db2.gz YTINUWIQOFGOTK-OAHLLOKOSA-N 1 3 374.558 2.779 20 0 FFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCc3ccccc3Cl)C[C@H]21 ZINC001188985216 1006833798 /nfs/dbraw/zinc/83/37/98/1006833798.db2.gz ATHBILSKPWFCSI-PKOBYXMFSA-N 1 3 363.933 2.757 20 0 FFADHO c1cc(CN2CCOCC3(CC[NH+](CCC4CCOCC4)CC3)C2)ccn1 ZINC001202652603 1007235522 /nfs/dbraw/zinc/23/55/22/1007235522.db2.gz VRAZLUAAAPHMSS-UHFFFAOYSA-N 1 3 373.541 2.813 20 0 FFADHO Cc1csc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001170863260 1007559578 /nfs/dbraw/zinc/55/95/78/1007559578.db2.gz UUHUZAUXYCQHQM-NUEKZKHPSA-N 1 3 352.548 2.556 20 0 FFADHO Cc1csc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001170863260 1007559587 /nfs/dbraw/zinc/55/95/87/1007559587.db2.gz UUHUZAUXYCQHQM-NUEKZKHPSA-N 1 3 352.548 2.556 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCc4cccnc43)CC2)CC1 ZINC000885361790 1007691988 /nfs/dbraw/zinc/69/19/88/1007691988.db2.gz JMQSMIIEIXFSAJ-HXUWFJFHSA-N 1 3 370.541 2.772 20 0 FFADHO CCCCCCO[C@H](C)C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817656324 1007708235 /nfs/dbraw/zinc/70/82/35/1007708235.db2.gz FRCDGQBKXDZINZ-LJQANCHMSA-N 1 3 367.578 2.990 20 0 FFADHO CCCCCCO[C@H](C)C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817656324 1007708238 /nfs/dbraw/zinc/70/82/38/1007708238.db2.gz FRCDGQBKXDZINZ-LJQANCHMSA-N 1 3 367.578 2.990 20 0 FFADHO Cc1[nH]nc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1C ZINC000885967828 1007856384 /nfs/dbraw/zinc/85/63/84/1007856384.db2.gz ZEVIKACMVWWXIW-UHFFFAOYSA-N 1 3 372.513 2.806 20 0 FFADHO Cc1[nH]nc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1C ZINC000885967828 1007856393 /nfs/dbraw/zinc/85/63/93/1007856393.db2.gz ZEVIKACMVWWXIW-UHFFFAOYSA-N 1 3 372.513 2.806 20 0 FFADHO N[C@@H](CCC[NH3+])Nc1ccc2[nH]cc(C3=CCC4(CC3)OCCO4)c2c1 ZINC001170898976 1007899032 /nfs/dbraw/zinc/89/90/32/1007899032.db2.gz FTFVBJVPIQTNFI-LJQANCHMSA-N 1 3 356.470 2.914 20 0 FFADHO CCn1cc(CC[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cn1 ZINC000856603895 1007912637 /nfs/dbraw/zinc/91/26/37/1007912637.db2.gz GHAIUEOHGVSLGE-NRFANRHFSA-N 1 3 371.529 2.834 20 0 FFADHO CCn1cc(CC[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cn1 ZINC000856603895 1007912642 /nfs/dbraw/zinc/91/26/42/1007912642.db2.gz GHAIUEOHGVSLGE-NRFANRHFSA-N 1 3 371.529 2.834 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000818537558 1007934523 /nfs/dbraw/zinc/93/45/23/1007934523.db2.gz TWSXJAJYTOZCDC-IBGZPJMESA-N 1 3 373.497 2.832 20 0 FFADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)cc1CN1CCCCC1 ZINC000857084189 1008053444 /nfs/dbraw/zinc/05/34/44/1008053444.db2.gz KVLAGQQRJMCGHH-OXJNMPFZSA-N 1 3 359.514 2.953 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1ccc(F)cc1 ZINC000819371024 1008124634 /nfs/dbraw/zinc/12/46/34/1008124634.db2.gz GWQLHFJHPSLVIZ-BAGYTPMASA-N 1 3 372.484 2.986 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1ccc(F)cc1 ZINC000819371024 1008124641 /nfs/dbraw/zinc/12/46/41/1008124641.db2.gz GWQLHFJHPSLVIZ-BAGYTPMASA-N 1 3 372.484 2.986 20 0 FFADHO C[NH+](C)C1CC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000819681173 1008206852 /nfs/dbraw/zinc/20/68/52/1008206852.db2.gz VAPWUJSRPUVXAY-LEOMRAHMSA-N 1 3 369.431 2.650 20 0 FFADHO Cc1ccc(O[C@@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)nc1 ZINC000858010546 1008276506 /nfs/dbraw/zinc/27/65/06/1008276506.db2.gz CMYKKEROQXQRGU-HXUWFJFHSA-N 1 3 355.482 2.984 20 0 FFADHO Fc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)ccn1 ZINC000858100036 1008302200 /nfs/dbraw/zinc/30/22/00/1008302200.db2.gz HJSQROAAUVUDIW-UHFFFAOYSA-N 1 3 356.489 2.908 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000858119630 1008305170 /nfs/dbraw/zinc/30/51/70/1008305170.db2.gz QDNDXXVIFNHRTE-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000858119630 1008305173 /nfs/dbraw/zinc/30/51/73/1008305173.db2.gz QDNDXXVIFNHRTE-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110750276 1008383150 /nfs/dbraw/zinc/38/31/50/1008383150.db2.gz DOMFOJYHNHYDBI-OWYHZJEWSA-N 1 3 365.562 2.522 20 0 FFADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110750276 1008383153 /nfs/dbraw/zinc/38/31/53/1008383153.db2.gz DOMFOJYHNHYDBI-OWYHZJEWSA-N 1 3 365.562 2.522 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110754132 1008400310 /nfs/dbraw/zinc/40/03/10/1008400310.db2.gz GGQZLYNFKZOZDX-ZRNYENFQSA-N 1 3 365.562 2.643 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110754132 1008400311 /nfs/dbraw/zinc/40/03/11/1008400311.db2.gz GGQZLYNFKZOZDX-ZRNYENFQSA-N 1 3 365.562 2.643 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001110754185 1008401385 /nfs/dbraw/zinc/40/13/85/1008401385.db2.gz ISXMJUAOYAZREJ-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001110754185 1008401388 /nfs/dbraw/zinc/40/13/88/1008401388.db2.gz ISXMJUAOYAZREJ-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858766046 1008418406 /nfs/dbraw/zinc/41/84/06/1008418406.db2.gz IRVIJGOKMWCDEQ-UYAOXDASSA-N 1 3 353.510 2.642 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858766046 1008418408 /nfs/dbraw/zinc/41/84/08/1008418408.db2.gz IRVIJGOKMWCDEQ-UYAOXDASSA-N 1 3 353.510 2.642 20 0 FFADHO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)CC2 ZINC000886520621 1008713831 /nfs/dbraw/zinc/71/38/31/1008713831.db2.gz INQPNHXVRVKSPD-YRPNKDGESA-N 1 3 351.498 2.544 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(-c3ccccn3)n[nH]2)[C@@H](C)C1 ZINC001177844749 1008767151 /nfs/dbraw/zinc/76/71/51/1008767151.db2.gz UYFKEEOUFFOHFM-WMZOPIPTSA-N 1 3 357.502 2.698 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H](C1)O2 ZINC001274042855 1009309115 /nfs/dbraw/zinc/30/91/15/1009309115.db2.gz ULIWRFGHTXCBFJ-AQNXPRMDSA-N 1 3 367.578 2.846 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC001274173283 1009561865 /nfs/dbraw/zinc/56/18/65/1009561865.db2.gz VKDZNOKMTDVJET-WDSOQIARSA-N 1 3 361.917 2.857 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC001274173283 1009561874 /nfs/dbraw/zinc/56/18/74/1009561874.db2.gz VKDZNOKMTDVJET-WDSOQIARSA-N 1 3 361.917 2.857 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](O)c4ccccc43)CC2)CC1 ZINC000889266062 1009896992 /nfs/dbraw/zinc/89/69/92/1009896992.db2.gz PRFZTHYEHCZYFP-OAQYLSRUSA-N 1 3 371.525 2.653 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+][C@@H]1CCc2ccccc21 ZINC001093287611 1010220323 /nfs/dbraw/zinc/22/03/23/1010220323.db2.gz LLYYDHJKCLPXAN-WRWLIDTKSA-N 1 3 352.482 2.714 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCNC12CCC2 ZINC000863541609 1010248232 /nfs/dbraw/zinc/24/82/32/1010248232.db2.gz KFKYJLPBYKVBJO-CRAIPNDOSA-N 1 3 355.482 2.716 20 0 FFADHO CC(C)(C)c1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863549814 1010250684 /nfs/dbraw/zinc/25/06/84/1010250684.db2.gz JKDKZWDGZROJDV-MOPGFXCFSA-N 1 3 357.498 2.741 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@H](C)C1)N(C)C ZINC001093859275 1010635140 /nfs/dbraw/zinc/63/51/40/1010635140.db2.gz QXGZOYMTVHHKCV-SZVBFZGTSA-N 1 3 357.498 2.957 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)n2)[C@H](C)C1)N(C)C ZINC001094021173 1010788124 /nfs/dbraw/zinc/78/81/24/1010788124.db2.gz ZPPDTLMDNLPQJV-IIDMSEBBSA-N 1 3 366.937 2.505 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c(C)c1 ZINC001094040104 1010802279 /nfs/dbraw/zinc/80/22/79/1010802279.db2.gz BZHABOKFPCDXMR-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001094041204 1010803047 /nfs/dbraw/zinc/80/30/47/1010803047.db2.gz ZYPITRMNBPXNRV-FBBABVLZSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001094074828 1010833046 /nfs/dbraw/zinc/83/30/46/1010833046.db2.gz NWXPTZHGYDFMEZ-WRWLIDTKSA-N 1 3 352.482 2.714 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)cc1 ZINC001094131184 1010877583 /nfs/dbraw/zinc/87/75/83/1010877583.db2.gz SMTBZBVIYWUHNC-TZIWHRDSSA-N 1 3 357.542 2.911 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667175 1011034863 /nfs/dbraw/zinc/03/48/63/1011034863.db2.gz CZHYBDASHVJCSU-FMWKFLBASA-N 1 3 373.541 2.955 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3cc(F)cc(C[NH3+])c3)cc2)CC1 ZINC000868069302 1011159484 /nfs/dbraw/zinc/15/94/84/1011159484.db2.gz KCOYXKQCJOARPV-UHFFFAOYSA-N 1 3 356.445 2.679 20 0 FFADHO C[NH+]1CCC(CN2CCN([C@H]3CCc4cc(F)c(F)cc4C3)CC2)CC1 ZINC001171496086 1011345568 /nfs/dbraw/zinc/34/55/68/1011345568.db2.gz NPRPFYXGOOLEQL-IBGZPJMESA-N 1 3 363.496 2.782 20 0 FFADHO CCCN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCN(C)C1 ZINC000645158368 1011363363 /nfs/dbraw/zinc/36/33/63/1011363363.db2.gz UXPZMYAWWXNJGL-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC1=O ZINC001171680312 1011418327 /nfs/dbraw/zinc/41/83/27/1011418327.db2.gz UEVARJFHNRIKQR-GOSISDBHSA-N 1 3 373.497 2.908 20 0 FFADHO COC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000645490689 1011501809 /nfs/dbraw/zinc/50/18/09/1011501809.db2.gz LWVZYKPNFBRSTM-RTWAWAEBSA-N 1 3 358.526 2.930 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000645693461 1011569096 /nfs/dbraw/zinc/56/90/96/1011569096.db2.gz ZYQCXLOBLSYPBD-MJGOQNOKSA-N 1 3 366.509 2.978 20 0 FFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001171972636 1011572911 /nfs/dbraw/zinc/57/29/11/1011572911.db2.gz BOAAJNRKZKAGJG-HNNXBMFYSA-N 1 3 371.447 2.732 20 0 FFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001171972636 1011572923 /nfs/dbraw/zinc/57/29/23/1011572923.db2.gz BOAAJNRKZKAGJG-HNNXBMFYSA-N 1 3 371.447 2.732 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C1)C2 ZINC001172132633 1011635180 /nfs/dbraw/zinc/63/51/80/1011635180.db2.gz MEAFBHLLPAORDL-LXTVHRRPSA-N 1 3 370.419 2.964 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C1)C2 ZINC001172132633 1011635184 /nfs/dbraw/zinc/63/51/84/1011635184.db2.gz MEAFBHLLPAORDL-LXTVHRRPSA-N 1 3 370.419 2.964 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)C2 ZINC001172109718 1011639887 /nfs/dbraw/zinc/63/98/87/1011639887.db2.gz KHLCFBOGEPMVGA-WOZUAGRISA-N 1 3 355.526 2.825 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CN(Cc3ccc(F)cc3)CCO1)C2 ZINC001172108507 1011640269 /nfs/dbraw/zinc/64/02/69/1011640269.db2.gz XAQMTQUHOOVVHX-MXEMCNAFSA-N 1 3 361.505 2.631 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CN(Cc3ccc(F)cc3)CCO1)C2 ZINC001172108507 1011640278 /nfs/dbraw/zinc/64/02/78/1011640278.db2.gz XAQMTQUHOOVVHX-MXEMCNAFSA-N 1 3 361.505 2.631 20 0 FFADHO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000646128415 1011762105 /nfs/dbraw/zinc/76/21/05/1011762105.db2.gz BLQNLGUXFBKLFS-DZFGPLHGSA-N 1 3 355.526 2.745 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CNCc2ccccc21 ZINC000646254034 1011819769 /nfs/dbraw/zinc/81/97/69/1011819769.db2.gz KJRCFFVNVUCEHG-FQEVSTJZSA-N 1 3 355.457 2.603 20 0 FFADHO CN(C)CCN1CC[N@@H+](C2CCC(Cc3ccccc3)CC2)CCC1=O ZINC001172825179 1012038606 /nfs/dbraw/zinc/03/86/06/1012038606.db2.gz QODTVQLOPHSSCV-UHFFFAOYSA-N 1 3 357.542 2.884 20 0 FFADHO CN(C)CCN1CC[N@H+](C2CCC(Cc3ccccc3)CC2)CCC1=O ZINC001172825179 1012038626 /nfs/dbraw/zinc/03/86/26/1012038626.db2.gz QODTVQLOPHSSCV-UHFFFAOYSA-N 1 3 357.542 2.884 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H](C1)O2 ZINC001275223075 1012098293 /nfs/dbraw/zinc/09/82/93/1012098293.db2.gz XARMBYUUFCWBMM-VNTMZGSJSA-N 1 3 367.578 2.701 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H](C1)O2 ZINC001275223076 1012099359 /nfs/dbraw/zinc/09/93/59/1012099359.db2.gz XARMBYUUFCWBMM-YSTOQKLRSA-N 1 3 367.578 2.701 20 0 FFADHO C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@@H]2c1ccccc1 ZINC001275323958 1012297802 /nfs/dbraw/zinc/29/78/02/1012297802.db2.gz FAYRIHAIWBICPO-YZGWKJHDSA-N 1 3 355.526 2.870 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)N1CCC(Cc2ccccc2)CC1 ZINC000647055364 1012357027 /nfs/dbraw/zinc/35/70/27/1012357027.db2.gz WSDOLZCRUTUABX-YLJYHZDGSA-N 1 3 355.526 2.588 20 0 FFADHO CN1CCN(C(C)(C)C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647170939 1012396849 /nfs/dbraw/zinc/39/68/49/1012396849.db2.gz VCKVNEPDYIOBFH-OAQYLSRUSA-N 1 3 370.585 2.799 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCCC[C@@]12CC(=O)N(Cc1ccncc1)C2 ZINC001275511126 1012566173 /nfs/dbraw/zinc/56/61/73/1012566173.db2.gz DISWSVRLVNPSEN-NRFANRHFSA-N 1 3 358.530 2.626 20 0 FFADHO COC(C)(C)CN1CC2(CCC1=O)CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001275512761 1012566938 /nfs/dbraw/zinc/56/69/38/1012566938.db2.gz VWRHCGYLFQWPDZ-UHFFFAOYSA-N 1 3 367.578 2.704 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000647833953 1012605562 /nfs/dbraw/zinc/60/55/62/1012605562.db2.gz USFFOYHVBOQDGO-UEXGIBASSA-N 1 3 357.542 2.881 20 0 FFADHO COc1ccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1Cl ZINC001275561139 1012619265 /nfs/dbraw/zinc/61/92/65/1012619265.db2.gz XDPAOYOUHACVFM-IIAWOOMASA-N 1 3 367.921 2.625 20 0 FFADHO COc1ccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1Cl ZINC001275561139 1012619268 /nfs/dbraw/zinc/61/92/68/1012619268.db2.gz XDPAOYOUHACVFM-IIAWOOMASA-N 1 3 367.921 2.625 20 0 FFADHO COC(=O)CCCC[C@@H](C)[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001173452356 1012622753 /nfs/dbraw/zinc/62/27/53/1012622753.db2.gz RHKWTVVSWMHGSH-YZGWKJHDSA-N 1 3 366.546 2.931 20 0 FFADHO COC(=O)CCCC[C@@H](C)[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001173452356 1012622761 /nfs/dbraw/zinc/62/27/61/1012622761.db2.gz RHKWTVVSWMHGSH-YZGWKJHDSA-N 1 3 366.546 2.931 20 0 FFADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970674 1012647151 /nfs/dbraw/zinc/64/71/51/1012647151.db2.gz UJUWUROOVOJETP-WMZOPIPTSA-N 1 3 368.525 2.537 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870955685 1012649387 /nfs/dbraw/zinc/64/93/87/1012649387.db2.gz WXRVIXCSOSRQCH-QGZVFWFLSA-N 1 3 372.494 2.523 20 0 FFADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976315 1012650140 /nfs/dbraw/zinc/65/01/40/1012650140.db2.gz MZZRLRFRBNMFDE-OKZBNKHCSA-N 1 3 362.518 3.192 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975482 1012650721 /nfs/dbraw/zinc/65/07/21/1012650721.db2.gz AXHVZPUSQDGNON-AJYBTWMASA-N 1 3 371.525 2.727 20 0 FFADHO CN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC001222012250 1032651045 /nfs/dbraw/zinc/65/10/45/1032651045.db2.gz ZPRLZCIFFUWXTF-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC001222012250 1032651057 /nfs/dbraw/zinc/65/10/57/1032651057.db2.gz ZPRLZCIFFUWXTF-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CCCN(C)C1 ZINC001222012250 1032651063 /nfs/dbraw/zinc/65/10/63/1032651063.db2.gz ZPRLZCIFFUWXTF-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3cccc(F)c3F)CC2)C1=O ZINC001275656829 1012770782 /nfs/dbraw/zinc/77/07/82/1012770782.db2.gz CFOFGRURJNXKNI-FQEVSTJZSA-N 1 3 365.468 2.731 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173772418 1012973024 /nfs/dbraw/zinc/97/30/24/1012973024.db2.gz XXNYROGQNWFBTK-UXHICEINSA-N 1 3 372.492 2.892 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173772418 1012973042 /nfs/dbraw/zinc/97/30/42/1012973042.db2.gz XXNYROGQNWFBTK-UXHICEINSA-N 1 3 372.492 2.892 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](CC3CCSCC3)C2)C1=O ZINC001275777600 1012993726 /nfs/dbraw/zinc/99/37/26/1012993726.db2.gz PPDCYFBEBGLRDM-NRFANRHFSA-N 1 3 373.566 2.682 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CC3CCSCC3)C2)C1=O ZINC001275777600 1012993743 /nfs/dbraw/zinc/99/37/43/1012993743.db2.gz PPDCYFBEBGLRDM-NRFANRHFSA-N 1 3 373.566 2.682 20 0 FFADHO Cc1cccc(N2CC[NH+](CCCCN[C@H](C)c3cn(C)cn3)CC2)c1 ZINC000924611335 1017372305 /nfs/dbraw/zinc/37/23/05/1017372305.db2.gz ALGHKRQSRBZMEB-LJQANCHMSA-N 1 3 355.530 2.982 20 0 FFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001052393558 1017393840 /nfs/dbraw/zinc/39/38/40/1017393840.db2.gz OMUNLHGDRHOTLT-MISYRCLQSA-N 1 3 358.530 2.509 20 0 FFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001052393558 1017393852 /nfs/dbraw/zinc/39/38/52/1017393852.db2.gz OMUNLHGDRHOTLT-MISYRCLQSA-N 1 3 358.530 2.509 20 0 FFADHO Cc1ccc(Br)c(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001137383613 1017524984 /nfs/dbraw/zinc/52/49/84/1017524984.db2.gz FQCJJKJJXDBJKZ-ZWKOTPCHSA-N 1 3 366.347 2.968 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)N1CCCC1 ZINC001097638869 1017739588 /nfs/dbraw/zinc/73/95/88/1017739588.db2.gz JAWLAEOUJMDMIZ-NXHRZFHOSA-N 1 3 361.555 2.887 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)N1CCCC1 ZINC001097638869 1017739603 /nfs/dbraw/zinc/73/96/03/1017739603.db2.gz JAWLAEOUJMDMIZ-NXHRZFHOSA-N 1 3 361.555 2.887 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)N1CCCC1 ZINC001097639428 1017739863 /nfs/dbraw/zinc/73/98/63/1017739863.db2.gz UKKWOROHOQDGBI-AQNXPRMDSA-N 1 3 355.526 2.825 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)N1CCCC1 ZINC001097639428 1017739869 /nfs/dbraw/zinc/73/98/69/1017739869.db2.gz UKKWOROHOQDGBI-AQNXPRMDSA-N 1 3 355.526 2.825 20 0 FFADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925552360 1017782644 /nfs/dbraw/zinc/78/26/44/1017782644.db2.gz JVJZTAQHQFANCS-FDFHNCONSA-N 1 3 369.553 2.978 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1cccnc1 ZINC000925907305 1017892620 /nfs/dbraw/zinc/89/26/20/1017892620.db2.gz IZZCCFSGBPYIBC-FQEVSTJZSA-N 1 3 373.545 2.734 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000680946646 1018274784 /nfs/dbraw/zinc/27/47/84/1018274784.db2.gz SCRVHEYNAOHYRM-RLLQIKCJSA-N 1 3 358.530 2.679 20 0 FFADHO CCN1CC[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)[C@H](C)C1 ZINC000926959863 1018306831 /nfs/dbraw/zinc/30/68/31/1018306831.db2.gz TWCCVZRTXTZIIJ-CTNGQTDRSA-N 1 3 359.558 2.988 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4ncccc4C)C3)C2)CC[N@@H+]1C ZINC001041300302 1018769759 /nfs/dbraw/zinc/76/97/59/1018769759.db2.gz HOJNHNJXTYSKEB-DWLFOUALSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4ncccc4C)C3)C2)CC[N@H+]1C ZINC001041300302 1018769775 /nfs/dbraw/zinc/76/97/75/1018769775.db2.gz HOJNHNJXTYSKEB-DWLFOUALSA-N 1 3 370.541 2.545 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC[C@@H]2CCCC2(F)F)CC1 ZINC001110956630 1019226801 /nfs/dbraw/zinc/22/68/01/1019226801.db2.gz QYHJTQLMLCBNHT-HZMVEIRTSA-N 1 3 369.500 2.875 20 0 FFADHO C[C@@H](CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[N@H+](C)Cc1ccccc1 ZINC000390792868 1019879964 /nfs/dbraw/zinc/87/99/64/1019879964.db2.gz XOGNCHUHVHAXRO-OXJNMPFZSA-N 1 3 364.493 2.674 20 0 FFADHO C[C@@H](CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[N@@H+](C)Cc1ccccc1 ZINC000390792868 1019879980 /nfs/dbraw/zinc/87/99/80/1019879980.db2.gz XOGNCHUHVHAXRO-OXJNMPFZSA-N 1 3 364.493 2.674 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@H]3CC[NH2+]CC(C)(C)C3)C2)cc(OC)c1 ZINC000902336115 1020109947 /nfs/dbraw/zinc/10/99/47/1020109947.db2.gz DTAKCDCDCDQFEM-ZWKOTPCHSA-N 1 3 361.530 2.646 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cncc(C)c2)CC[N@@H+]1C ZINC001045781365 1020128600 /nfs/dbraw/zinc/12/86/00/1020128600.db2.gz IPKYRWGPSDPOOE-IVAOSVALSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cncc(C)c2)CC[N@H+]1C ZINC001045781365 1020128606 /nfs/dbraw/zinc/12/86/06/1020128606.db2.gz IPKYRWGPSDPOOE-IVAOSVALSA-N 1 3 370.541 2.686 20 0 FFADHO [NH3+]CCCC[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)cc1F ZINC000902370495 1020137909 /nfs/dbraw/zinc/13/79/09/1020137909.db2.gz NXUAXBCXWGYEAT-QAPCUYQASA-N 1 3 370.440 2.647 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c1C ZINC001096350810 1020191693 /nfs/dbraw/zinc/19/16/93/1020191693.db2.gz VAHMWVVFXMYNCX-LMCOJAPRSA-N 1 3 371.525 2.567 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1C ZINC001096350810 1020191698 /nfs/dbraw/zinc/19/16/98/1020191698.db2.gz VAHMWVVFXMYNCX-LMCOJAPRSA-N 1 3 371.525 2.567 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C2CC2)cc1)C12CC[NH+](CC1)C2 ZINC001096356890 1020207655 /nfs/dbraw/zinc/20/76/55/1020207655.db2.gz ZOMYFBKRSMGOQC-HKBOAZHASA-N 1 3 365.521 2.881 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)c1 ZINC000900286647 1020331107 /nfs/dbraw/zinc/33/11/07/1020331107.db2.gz NFNFASRXHZICQN-TZIWHRDSSA-N 1 3 371.525 2.793 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)c1 ZINC000900286647 1020331112 /nfs/dbraw/zinc/33/11/12/1020331112.db2.gz NFNFASRXHZICQN-TZIWHRDSSA-N 1 3 371.525 2.793 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902751779 1020450887 /nfs/dbraw/zinc/45/08/87/1020450887.db2.gz ZTDKNGZGJZVFSM-IACLWVNRSA-N 1 3 369.553 2.727 20 0 FFADHO C[NH+](C)CC1(O)CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000931486129 1020486019 /nfs/dbraw/zinc/48/60/19/1020486019.db2.gz WNBXIHJMGAATAL-UHFFFAOYSA-N 1 3 355.482 2.549 20 0 FFADHO C[NH+](C)CC1(O)CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000931486403 1020487488 /nfs/dbraw/zinc/48/74/88/1020487488.db2.gz ZTOWPBSXSHIMTQ-UHFFFAOYSA-N 1 3 355.482 2.549 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cc(Cl)ccc3F)[C@@H]2C)CC[N@@H+]1C ZINC001074661736 1020661826 /nfs/dbraw/zinc/66/18/26/1020661826.db2.gz JDCBWHIWNWUYOE-RGFKIIKPSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cc(Cl)ccc3F)[C@@H]2C)CC[N@H+]1C ZINC001074661736 1020661828 /nfs/dbraw/zinc/66/18/28/1020661828.db2.gz JDCBWHIWNWUYOE-RGFKIIKPSA-N 1 3 367.896 2.898 20 0 FFADHO CCc1cc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)ncn1 ZINC000903121247 1020688849 /nfs/dbraw/zinc/68/88/49/1020688849.db2.gz TVFRLQXZOPLKMK-KOQQBVACSA-N 1 3 355.530 2.755 20 0 FFADHO CCc1cc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)ncn1 ZINC000903121247 1020688853 /nfs/dbraw/zinc/68/88/53/1020688853.db2.gz TVFRLQXZOPLKMK-KOQQBVACSA-N 1 3 355.530 2.755 20 0 FFADHO OC[C@]1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCN(Cc2ccccc2)C1 ZINC000903137118 1020697214 /nfs/dbraw/zinc/69/72/14/1020697214.db2.gz ITQLRGOGPXGXJT-MWWJCJHHSA-N 1 3 369.553 2.761 20 0 FFADHO OC[C@]1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCN(Cc2ccccc2)C1 ZINC000903137118 1020697220 /nfs/dbraw/zinc/69/72/20/1020697220.db2.gz ITQLRGOGPXGXJT-MWWJCJHHSA-N 1 3 369.553 2.761 20 0 FFADHO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000903214472 1020746212 /nfs/dbraw/zinc/74/62/12/1020746212.db2.gz AMWZQENGQOQFQC-MXEMCNAFSA-N 1 3 355.526 2.745 20 0 FFADHO C[NH+](C)CC[C@H](NC1CCN(Cc2ccncc2)CC1)c1cccnc1 ZINC000903383775 1020816177 /nfs/dbraw/zinc/81/61/77/1020816177.db2.gz ONMFPYUGHUBMLJ-NRFANRHFSA-N 1 3 353.514 2.724 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)cc1 ZINC001098393897 1020868749 /nfs/dbraw/zinc/86/87/49/1020868749.db2.gz FWNPUXSHZXVVQF-NCYKPQTJSA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001098393897 1020868757 /nfs/dbraw/zinc/86/87/57/1020868757.db2.gz FWNPUXSHZXVVQF-NCYKPQTJSA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098395161 1020870190 /nfs/dbraw/zinc/87/01/90/1020870190.db2.gz XLJOVBNMXHFILN-ZSXPUABSSA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098395161 1020870197 /nfs/dbraw/zinc/87/01/97/1020870197.db2.gz XLJOVBNMXHFILN-ZSXPUABSSA-N 1 3 355.526 2.983 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C[N@H+](C)CC)C3)cc2)CC1 ZINC000749225176 1020885780 /nfs/dbraw/zinc/88/57/80/1020885780.db2.gz AZDMTVNNKCIPFQ-GOSISDBHSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C[N@@H+](C)CC)C3)cc2)CC1 ZINC000749225176 1020885786 /nfs/dbraw/zinc/88/57/86/1020885786.db2.gz AZDMTVNNKCIPFQ-GOSISDBHSA-N 1 3 373.545 2.634 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749586582 1021010302 /nfs/dbraw/zinc/01/03/02/1021010302.db2.gz NYWMXUMVMKMHRO-UXHICEINSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1)[C@@H]1CCCN(C)C1 ZINC000933479723 1021020046 /nfs/dbraw/zinc/02/00/46/1021020046.db2.gz RTLHMJVLPWANAO-GOSISDBHSA-N 1 3 374.529 2.570 20 0 FFADHO C[NH+]1CCC(CNC(=O)Nc2cnn(C3CCC3)c2)(N2CCCCC2)CC1 ZINC000934327116 1021197856 /nfs/dbraw/zinc/19/78/56/1021197856.db2.gz GXYGQROHPWILJV-UHFFFAOYSA-N 1 3 374.533 2.680 20 0 FFADHO CC[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000145605905 1021872308 /nfs/dbraw/zinc/87/23/08/1021872308.db2.gz WHCBXQSXWDDMOZ-HXUWFJFHSA-N 1 3 374.598 2.990 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)CC[N@@H+]1C ZINC001014509169 1021885258 /nfs/dbraw/zinc/88/52/58/1021885258.db2.gz QBCZRAZNYNIPSF-HLAWJBBLSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)CC[N@H+]1C ZINC001014509169 1021885271 /nfs/dbraw/zinc/88/52/71/1021885271.db2.gz QBCZRAZNYNIPSF-HLAWJBBLSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520844 1033027236 /nfs/dbraw/zinc/02/72/36/1033027236.db2.gz LNXOLFCWGQXPHX-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1ccccc1-c1ccccc1C[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222520844 1033027251 /nfs/dbraw/zinc/02/72/51/1033027251.db2.gz LNXOLFCWGQXPHX-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1ccccc1-c1ccccc1CN1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520844 1033027263 /nfs/dbraw/zinc/02/72/63/1033027263.db2.gz LNXOLFCWGQXPHX-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001099446495 1022539603 /nfs/dbraw/zinc/53/96/03/1022539603.db2.gz PIBAGKDWCFOYGV-PXNSSMCTSA-N 1 3 361.555 2.951 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@H](C)c3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001020174809 1022578047 /nfs/dbraw/zinc/57/80/47/1022578047.db2.gz SBCVOKPOLXAUJW-KZYVRXGSSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@H](C)c3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001020174809 1022578054 /nfs/dbraw/zinc/57/80/54/1022578054.db2.gz SBCVOKPOLXAUJW-KZYVRXGSSA-N 1 3 365.468 2.993 20 0 FFADHO Cc1cncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CN2CCC[C@H]2C)C3)c1 ZINC001099497301 1022633498 /nfs/dbraw/zinc/63/34/98/1022633498.db2.gz UTFYZTJNQIJYFE-CBQOVEMMSA-N 1 3 370.541 2.593 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC(F)(F)C3)C2)C1 ZINC001099500634 1022636991 /nfs/dbraw/zinc/63/69/91/1022636991.db2.gz ZKUBZTVQIPOXMX-IEZWGBDMSA-N 1 3 369.500 2.592 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC3)C2)c1 ZINC001099539901 1022713454 /nfs/dbraw/zinc/71/34/54/1022713454.db2.gz IDCXAPJNSDNUOA-UNMCSNQZSA-N 1 3 355.526 2.990 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000753114972 1023272248 /nfs/dbraw/zinc/27/22/48/1023272248.db2.gz JCDKRKJHSSZHCW-LJQANCHMSA-N 1 3 359.514 2.629 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000753114972 1023272254 /nfs/dbraw/zinc/27/22/54/1023272254.db2.gz JCDKRKJHSSZHCW-LJQANCHMSA-N 1 3 359.514 2.629 20 0 FFADHO [NH3+]CC1([C@@H]2CCCCN2C(=O)NC[C@@H]2NCCc3ccccc32)CCC1 ZINC001120546152 1023355481 /nfs/dbraw/zinc/35/54/81/1023355481.db2.gz QFCWPUOFAHNJHL-OALUTQOASA-N 1 3 356.514 2.567 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1C ZINC001111307656 1023754174 /nfs/dbraw/zinc/75/41/74/1023754174.db2.gz PITSLURVGHHVHK-AQNXPRMDSA-N 1 3 373.541 2.957 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1C ZINC001111307656 1023754185 /nfs/dbraw/zinc/75/41/85/1023754185.db2.gz PITSLURVGHHVHK-AQNXPRMDSA-N 1 3 373.541 2.957 20 0 FFADHO CCc1ccc([C@H](CNC(=O)C2(C(F)(F)F)CC[NH2+]CC2)N(C)C)cc1 ZINC001121975584 1024225436 /nfs/dbraw/zinc/22/54/36/1024225436.db2.gz RYUGMOKKXUJBTQ-INIZCTEOSA-N 1 3 371.447 2.900 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@]2(C)C1 ZINC001101398081 1024632374 /nfs/dbraw/zinc/63/23/74/1024632374.db2.gz WWLXJBGNSRLCCH-KNQAVFIVSA-N 1 3 357.542 2.926 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@]2(C)C1 ZINC001101398081 1024632378 /nfs/dbraw/zinc/63/23/78/1024632378.db2.gz WWLXJBGNSRLCCH-KNQAVFIVSA-N 1 3 357.542 2.926 20 0 FFADHO CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]21)N(CC)CC ZINC001218623631 1033249562 /nfs/dbraw/zinc/24/95/62/1033249562.db2.gz DXPAJSUFWSVDDJ-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]21)N(CC)CC ZINC001218623631 1033249568 /nfs/dbraw/zinc/24/95/68/1033249568.db2.gz DXPAJSUFWSVDDJ-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102049781 1025356802 /nfs/dbraw/zinc/35/68/02/1025356802.db2.gz CIJLVMBJIXVOBJ-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102049781 1025356816 /nfs/dbraw/zinc/35/68/16/1025356816.db2.gz CIJLVMBJIXVOBJ-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048780 1025357767 /nfs/dbraw/zinc/35/77/67/1025357767.db2.gz OPPCIEIJIOATDX-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048780 1025357779 /nfs/dbraw/zinc/35/77/79/1025357779.db2.gz OPPCIEIJIOATDX-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C)N(C)C ZINC001102071603 1025391933 /nfs/dbraw/zinc/39/19/33/1025391933.db2.gz QFEWHIVSRVEJQH-POAQFYNOSA-N 1 3 363.521 2.639 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C)N(C)C ZINC001102071603 1025391947 /nfs/dbraw/zinc/39/19/47/1025391947.db2.gz QFEWHIVSRVEJQH-POAQFYNOSA-N 1 3 363.521 2.639 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001102101319 1025425447 /nfs/dbraw/zinc/42/54/47/1025425447.db2.gz XXJATEUTBNRZIC-HZPDHXFCSA-N 1 3 351.560 2.705 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001102101319 1025425456 /nfs/dbraw/zinc/42/54/56/1025425456.db2.gz XXJATEUTBNRZIC-HZPDHXFCSA-N 1 3 351.560 2.705 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC(n4cccn4)C3)cc2)CC1 ZINC000638374728 1025810968 /nfs/dbraw/zinc/81/09/68/1025810968.db2.gz RTAMYZICYQXNBB-UHFFFAOYSA-N 1 3 353.514 2.514 20 0 FFADHO Cc1ccccc1CN1CCC([NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638379280 1025814027 /nfs/dbraw/zinc/81/40/27/1025814027.db2.gz YGAYKJBBPBOWQJ-UHFFFAOYSA-N 1 3 359.558 2.784 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102366978 1025820722 /nfs/dbraw/zinc/82/07/22/1025820722.db2.gz XBMDJZJHIDHJOU-JBYIUTFZSA-N 1 3 369.553 2.844 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102366978 1025820728 /nfs/dbraw/zinc/82/07/28/1025820728.db2.gz XBMDJZJHIDHJOU-JBYIUTFZSA-N 1 3 369.553 2.844 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102368444 1025825051 /nfs/dbraw/zinc/82/50/51/1025825051.db2.gz UDEHKFQEOQFAMB-MBOZVWFJSA-N 1 3 368.525 2.836 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102368444 1025825071 /nfs/dbraw/zinc/82/50/71/1025825071.db2.gz UDEHKFQEOQFAMB-MBOZVWFJSA-N 1 3 368.525 2.836 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638416428 1025834132 /nfs/dbraw/zinc/83/41/32/1025834132.db2.gz BAGAZUBDWQQBGI-FPOVZHCZSA-N 1 3 365.477 2.808 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638416428 1025834153 /nfs/dbraw/zinc/83/41/53/1025834153.db2.gz BAGAZUBDWQQBGI-FPOVZHCZSA-N 1 3 365.477 2.808 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102374093 1025846049 /nfs/dbraw/zinc/84/60/49/1025846049.db2.gz XPJRCXJUDJQKBV-SJLPKXTDSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CNC(=O)CN1CCC(C)(C)C1 ZINC001102374093 1025846068 /nfs/dbraw/zinc/84/60/68/1025846068.db2.gz XPJRCXJUDJQKBV-SJLPKXTDSA-N 1 3 361.505 2.742 20 0 FFADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000638556031 1025891087 /nfs/dbraw/zinc/89/10/87/1025891087.db2.gz IWOYGQGIJWKZRH-IKGGRYGDSA-N 1 3 369.431 2.637 20 0 FFADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)c1nc(-c2ccccc2)no1 ZINC000638811542 1026031247 /nfs/dbraw/zinc/03/12/47/1026031247.db2.gz VTNWNNLCKBYINB-HNNXBMFYSA-N 1 3 358.486 2.665 20 0 FFADHO CN1CCN(CCC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638850890 1026048953 /nfs/dbraw/zinc/04/89/53/1026048953.db2.gz IHLQKXAEOWRUTA-UNMCSNQZSA-N 1 3 356.558 2.582 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102475421 1026057205 /nfs/dbraw/zinc/05/72/05/1026057205.db2.gz NQYBYGFRQGNZIY-KFWWJZLASA-N 1 3 364.361 2.596 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102475421 1026057220 /nfs/dbraw/zinc/05/72/20/1026057220.db2.gz NQYBYGFRQGNZIY-KFWWJZLASA-N 1 3 364.361 2.596 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1C ZINC001102524921 1026216769 /nfs/dbraw/zinc/21/67/69/1026216769.db2.gz DEJWTQJWGLKFTB-HUUCEWRRSA-N 1 3 351.457 2.745 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C ZINC001102524921 1026216780 /nfs/dbraw/zinc/21/67/80/1026216780.db2.gz DEJWTQJWGLKFTB-HUUCEWRRSA-N 1 3 351.457 2.745 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001102525679 1026220361 /nfs/dbraw/zinc/22/03/61/1026220361.db2.gz PGNFUYODZVDZRJ-ZHALLVOQSA-N 1 3 361.530 2.782 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001102525679 1026220374 /nfs/dbraw/zinc/22/03/74/1026220374.db2.gz PGNFUYODZVDZRJ-ZHALLVOQSA-N 1 3 361.530 2.782 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2CCC(CO)(CO)C2)CCN(Cc2ccccc2)C1 ZINC000639324729 1026278680 /nfs/dbraw/zinc/27/86/80/1026278680.db2.gz KNZRCOPWSACNNR-JOCHJYFZSA-N 1 3 360.542 2.602 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2CCC(CO)(CO)C2)CCN(Cc2ccccc2)C1 ZINC000639324729 1026278692 /nfs/dbraw/zinc/27/86/92/1026278692.db2.gz KNZRCOPWSACNNR-JOCHJYFZSA-N 1 3 360.542 2.602 20 0 FFADHO CC(C)(C)[C@]1(CN2CCC(CO)(CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639324729 1026278705 /nfs/dbraw/zinc/27/87/05/1026278705.db2.gz KNZRCOPWSACNNR-JOCHJYFZSA-N 1 3 360.542 2.602 20 0 FFADHO CC(C)(C)[C@]1(CN2CCC(CO)(CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639324729 1026278715 /nfs/dbraw/zinc/27/87/15/1026278715.db2.gz KNZRCOPWSACNNR-JOCHJYFZSA-N 1 3 360.542 2.602 20 0 FFADHO C[C@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCN(C2CC2)C1 ZINC000838506721 1026394518 /nfs/dbraw/zinc/39/45/18/1026394518.db2.gz MIDLDNUCWVMQOD-LMDPOFIKSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1C ZINC001102601332 1026401060 /nfs/dbraw/zinc/40/10/60/1026401060.db2.gz YEZPFPRCKHATQF-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C ZINC001102601332 1026401065 /nfs/dbraw/zinc/40/10/65/1026401065.db2.gz YEZPFPRCKHATQF-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000639755845 1026457187 /nfs/dbraw/zinc/45/71/87/1026457187.db2.gz OQVFIKXLFKJVKF-LPHOPBHVSA-N 1 3 359.489 2.905 20 0 FFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759740 1026459960 /nfs/dbraw/zinc/45/99/60/1026459960.db2.gz IFCGPACRZZAIGI-GSQFEDNKSA-N 1 3 359.558 2.878 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083933 1026944157 /nfs/dbraw/zinc/94/41/57/1026944157.db2.gz PQBISDRJYNOLRL-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083933 1026944163 /nfs/dbraw/zinc/94/41/63/1026944163.db2.gz PQBISDRJYNOLRL-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001103111795 1026972385 /nfs/dbraw/zinc/97/23/85/1026972385.db2.gz PAPRVFMXJKAIHQ-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1C ZINC001103156677 1027011141 /nfs/dbraw/zinc/01/11/41/1027011141.db2.gz QHLHUMOQMWLVTK-QRVBRYPASA-N 1 3 367.578 2.750 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1C ZINC001103156677 1027011146 /nfs/dbraw/zinc/01/11/46/1027011146.db2.gz QHLHUMOQMWLVTK-QRVBRYPASA-N 1 3 367.578 2.750 20 0 FFADHO CN1CCC(N([C@H](F)Oc2ccnc(Cl)c2)C2CC[NH2+]CC2)CC1 ZINC001158575054 1027064993 /nfs/dbraw/zinc/06/49/93/1027064993.db2.gz HZYCGDSEUULYLW-KRWDZBQOSA-N 1 3 356.873 2.515 20 0 FFADHO CCc1nc(Cl)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c(Cl)n1 ZINC001158588835 1027070144 /nfs/dbraw/zinc/07/01/44/1027070144.db2.gz GLBVOMZRMUMPFO-UHFFFAOYSA-N 1 3 372.344 2.998 20 0 FFADHO COc1ncnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1C ZINC001159460186 1027398672 /nfs/dbraw/zinc/39/86/72/1027398672.db2.gz DDJHNGKFSPBKCL-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C)N(C)C ZINC001103407581 1027416351 /nfs/dbraw/zinc/41/63/51/1027416351.db2.gz KBYXZWPZEKGPRA-RBSFLKMASA-N 1 3 351.457 2.599 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C)N(C)C ZINC001103407581 1027416361 /nfs/dbraw/zinc/41/63/61/1027416361.db2.gz KBYXZWPZEKGPRA-RBSFLKMASA-N 1 3 351.457 2.599 20 0 FFADHO Cc1ncccc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407848 1027420661 /nfs/dbraw/zinc/42/06/61/1027420661.db2.gz XJNMRCRZUQGMEI-YVWKXTFCSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1ncccc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407848 1027420665 /nfs/dbraw/zinc/42/06/65/1027420665.db2.gz XJNMRCRZUQGMEI-YVWKXTFCSA-N 1 3 360.546 2.550 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434251 1027474292 /nfs/dbraw/zinc/47/42/92/1027474292.db2.gz WGJOXLDWJJUYBZ-ZIFCJYIRSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434251 1027474303 /nfs/dbraw/zinc/47/43/03/1027474303.db2.gz WGJOXLDWJJUYBZ-ZIFCJYIRSA-N 1 3 361.505 2.884 20 0 FFADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 ZINC001159764677 1027491567 /nfs/dbraw/zinc/49/15/67/1027491567.db2.gz IPSHCPNZNDXGNE-FQEVSTJZSA-N 1 3 367.493 2.819 20 0 FFADHO O=C1OCCN1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248411137 1027608188 /nfs/dbraw/zinc/60/81/88/1027608188.db2.gz YVOVGBSJRSWUHJ-XUVXKRRUSA-N 1 3 357.498 2.719 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC001160955849 1027943660 /nfs/dbraw/zinc/94/36/60/1027943660.db2.gz IPJCAGCNAJSPTR-HOJAQTOUSA-N 1 3 373.541 2.882 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC001160955719 1027944016 /nfs/dbraw/zinc/94/40/16/1027944016.db2.gz GAZGADUVMNPGIN-SYYKKAFVSA-N 1 3 371.525 2.508 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC001160958368 1027945716 /nfs/dbraw/zinc/94/57/16/1027945716.db2.gz VMKKFSXDBYAEPR-QUCCMNQESA-N 1 3 359.514 2.636 20 0 FFADHO CN(CCN(C)C(=O)[C@@H]([NH3+])CCCc1ccccc1)Cc1ccccc1 ZINC001161161045 1028041151 /nfs/dbraw/zinc/04/11/51/1028041151.db2.gz LAPANGLWYXETID-NRFANRHFSA-N 1 3 353.510 2.927 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001161253281 1028095991 /nfs/dbraw/zinc/09/59/91/1028095991.db2.gz FXLRYMIPFUNDNJ-LSDHHAIUSA-N 1 3 359.392 2.705 20 0 FFADHO Cc1c2ccccc2sc1CC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444506 1028177964 /nfs/dbraw/zinc/17/79/64/1028177964.db2.gz IUROGHVSQLTBIG-MRXNPFEDSA-N 1 3 359.539 2.894 20 0 FFADHO COc1ccc(C(C)(C)C)cc1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448505 1028179487 /nfs/dbraw/zinc/17/94/87/1028179487.db2.gz DJDRCAIZYDFTOE-KRWDZBQOSA-N 1 3 361.530 2.749 20 0 FFADHO O=C(c1cc2c(s1)CNCC2)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161592309 1028244706 /nfs/dbraw/zinc/24/47/06/1028244706.db2.gz ZJNNKKXHILAITB-UHFFFAOYSA-N 1 3 367.518 2.671 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001103999599 1028463956 /nfs/dbraw/zinc/46/39/56/1028463956.db2.gz DUAGIMWZSZFPMB-OGWOLHLISA-N 1 3 365.468 2.633 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CN[C@H]3CC[N@@H+](C4CCCC4)C3)c2cc1C ZINC000644550447 1028544091 /nfs/dbraw/zinc/54/40/91/1028544091.db2.gz VQNMUGRPXPAJFU-PKOBYXMFSA-N 1 3 356.514 2.621 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CN[C@H]3CC[N@H+](C4CCCC4)C3)c2cc1C ZINC000644550447 1028544103 /nfs/dbraw/zinc/54/41/03/1028544103.db2.gz VQNMUGRPXPAJFU-PKOBYXMFSA-N 1 3 356.514 2.621 20 0 FFADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(CN2CCCCC2)ccn1 ZINC001162730539 1028636593 /nfs/dbraw/zinc/63/65/93/1028636593.db2.gz NURNSOGSRSHCOB-SFHVURJKSA-N 1 3 362.518 2.611 20 0 FFADHO FC(F)(F)c1ccc2nccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC001163171805 1028830598 /nfs/dbraw/zinc/83/05/98/1028830598.db2.gz OKCGGKOYVTXRLI-CJBNDPTMSA-N 1 3 351.372 2.712 20 0 FFADHO CCOC(=O)c1cc2c(cccc2NCC2(N(C)C)CC[NH+](C)CC2)[nH]1 ZINC001164212782 1029205123 /nfs/dbraw/zinc/20/51/23/1029205123.db2.gz CORIFNOCORZHRX-UHFFFAOYSA-N 1 3 358.486 2.783 20 0 FFADHO Cc1nc(N2CCCC2)cc(N2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC001164435395 1029282176 /nfs/dbraw/zinc/28/21/76/1029282176.db2.gz CXUOEPQCKLJIPR-UHFFFAOYSA-N 1 3 351.498 2.882 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001157613519 1029631066 /nfs/dbraw/zinc/63/10/66/1029631066.db2.gz QQSGHAZBZMLUMM-FQEVSTJZSA-N 1 3 352.482 2.758 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001157613519 1029631072 /nfs/dbraw/zinc/63/10/72/1029631072.db2.gz QQSGHAZBZMLUMM-FQEVSTJZSA-N 1 3 352.482 2.758 20 0 FFADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157740353 1029654139 /nfs/dbraw/zinc/65/41/39/1029654139.db2.gz NPLYOFBLRQWVRB-IFMALSPDSA-N 1 3 369.484 2.903 20 0 FFADHO COc1ccc2nc(N3CCN(CC4CC[NH+](C)CC4)CC3)ccc2c1 ZINC001157838157 1029673091 /nfs/dbraw/zinc/67/30/91/1029673091.db2.gz PQVHZUAPAXPMJA-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO CSc1ccc(Oc2cc(NC(=N)N3CC[NH+](C)CC3)ncn2)cc1 ZINC001157915210 1029684990 /nfs/dbraw/zinc/68/49/90/1029684990.db2.gz LKMVQLIUAGYZRK-UHFFFAOYSA-N 1 3 358.471 2.585 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cc3c(nn2)CCNC3)CC1 ZINC001158148922 1029745796 /nfs/dbraw/zinc/74/57/96/1029745796.db2.gz VPAQZGCWRJCYES-QAQDUYKDSA-N 1 3 355.461 2.538 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1sc(C)nc1C)C2 ZINC001111926714 1029753987 /nfs/dbraw/zinc/75/39/87/1029753987.db2.gz FHUSJNNMWZOELI-LPHOPBHVSA-N 1 3 364.559 2.572 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1sc(C)nc1C)C2 ZINC001111926714 1029753992 /nfs/dbraw/zinc/75/39/92/1029753992.db2.gz FHUSJNNMWZOELI-LPHOPBHVSA-N 1 3 364.559 2.572 20 0 FFADHO C[C@@H](N)c1ccn(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)n1 ZINC001158356256 1029806925 /nfs/dbraw/zinc/80/69/25/1029806925.db2.gz PEOIQJNMUIGYLR-SNVBAGLBSA-N 1 3 353.804 2.926 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000841018089 1029980005 /nfs/dbraw/zinc/98/00/05/1029980005.db2.gz PFAIDASHZJXXFD-LJQANCHMSA-N 1 3 361.534 2.666 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000841018200 1029980070 /nfs/dbraw/zinc/98/00/70/1029980070.db2.gz RDTWRQMZFQAQCS-HXUWFJFHSA-N 1 3 367.497 2.650 20 0 FFADHO c1ccc(CN2CC(CNc3ccc(CN4CC[NH2+]CC4)cc3)C2)cc1 ZINC001165453787 1029986504 /nfs/dbraw/zinc/98/65/04/1029986504.db2.gz ITGPNGYEDPMWHG-UHFFFAOYSA-N 1 3 350.510 2.636 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167416 1030133438 /nfs/dbraw/zinc/13/34/38/1030133438.db2.gz OXLQOZWARGFNLQ-HUUCEWRRSA-N 1 3 363.468 2.743 20 0 FFADHO CC1CCC(N2CCN(C(=O)Nc3cccc(OCC[NH3+])c3)CC2)CC1 ZINC000841287295 1030160747 /nfs/dbraw/zinc/16/07/47/1030160747.db2.gz JLOSLMAUHQKRER-UHFFFAOYSA-N 1 3 360.502 2.752 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000841287716 1030161112 /nfs/dbraw/zinc/16/11/12/1030161112.db2.gz IYVXOEGSGXUTMA-IBGZPJMESA-N 1 3 368.481 2.810 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001112198141 1030214986 /nfs/dbraw/zinc/21/49/86/1030214986.db2.gz CSVGUKDHPNQNEM-HZPDHXFCSA-N 1 3 361.452 2.808 20 0 FFADHO C[C@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)N(C)Cc1ccccc1 ZINC000841805692 1030477067 /nfs/dbraw/zinc/47/70/67/1030477067.db2.gz QIDTVDNXTGLEHB-QGZVFWFLSA-N 1 3 354.498 2.508 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000841823334 1030488039 /nfs/dbraw/zinc/48/80/39/1030488039.db2.gz XQIQQSHNAAFOJR-NRFANRHFSA-N 1 3 366.509 2.652 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001142584336 1030621849 /nfs/dbraw/zinc/62/18/49/1030621849.db2.gz SMPMKWOIKHSAIQ-UHFFFAOYSA-N 1 3 358.530 2.625 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001142584336 1030621853 /nfs/dbraw/zinc/62/18/53/1030621853.db2.gz SMPMKWOIKHSAIQ-UHFFFAOYSA-N 1 3 358.530 2.625 20 0 FFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCF)C1)N1CCCCC1 ZINC001112354287 1030635445 /nfs/dbraw/zinc/63/54/45/1030635445.db2.gz CFKCBLNCGNVLKX-PXNSSMCTSA-N 1 3 353.526 2.829 20 0 FFADHO COCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354351 1030635986 /nfs/dbraw/zinc/63/59/86/1030635986.db2.gz FKMOLYFMOCGRAV-RXVVDRJESA-N 1 3 365.562 2.506 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCC(C)C)C1)N(C)C ZINC001112425473 1030791287 /nfs/dbraw/zinc/79/12/87/1030791287.db2.gz NSVWKUGPIUVQHT-ZVDOUQERSA-N 1 3 367.578 2.608 20 0 FFADHO Cc1cc(C)c(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c(C)c1 ZINC001203742107 1030853760 /nfs/dbraw/zinc/85/37/60/1030853760.db2.gz FDNCVZNJRYAKQZ-UHFFFAOYSA-N 1 3 367.537 2.936 20 0 FFADHO Cc1cc(C)c(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c(C)c1 ZINC001203742107 1030853781 /nfs/dbraw/zinc/85/37/81/1030853781.db2.gz FDNCVZNJRYAKQZ-UHFFFAOYSA-N 1 3 367.537 2.936 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000796797865 1030919707 /nfs/dbraw/zinc/91/97/07/1030919707.db2.gz JDHYPYMOCHQFGZ-ATIWLJMLSA-N 1 3 369.550 2.767 20 0 FFADHO CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000843358934 1031349073 /nfs/dbraw/zinc/34/90/73/1031349073.db2.gz HRMQQKLBQWLWPC-FKBYEOEOSA-N 1 3 374.500 2.748 20 0 FFADHO CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000843358934 1031349087 /nfs/dbraw/zinc/34/90/87/1031349087.db2.gz HRMQQKLBQWLWPC-FKBYEOEOSA-N 1 3 374.500 2.748 20 0 FFADHO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000843358934 1031349095 /nfs/dbraw/zinc/34/90/95/1031349095.db2.gz HRMQQKLBQWLWPC-FKBYEOEOSA-N 1 3 374.500 2.748 20 0 FFADHO COc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Br)cc1O ZINC001205628868 1031885994 /nfs/dbraw/zinc/88/59/94/1031885994.db2.gz XKBMXMIRAHPJTD-RYUDHWBXSA-N 1 3 357.292 2.970 20 0 FFADHO C[C@H]1CCN(Cc2cn3cc(Br)ccc3n2)CC[C@H]1C[NH3+] ZINC001205638255 1031896102 /nfs/dbraw/zinc/89/61/02/1031896102.db2.gz LPYKAKNPMOTHBO-STQMWFEESA-N 1 3 351.292 2.904 20 0 FFADHO CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218808059 1033350809 /nfs/dbraw/zinc/35/08/09/1033350809.db2.gz CTZIBQMRRYHLHL-SNRMKQJTSA-N 1 3 374.529 2.586 20 0 FFADHO N[C@@H](C(=O)Nc1ccc2c(c1)CC[NH2+]CC2)C12CC3CC(CC(C3)C1)C2 ZINC001218937584 1033416656 /nfs/dbraw/zinc/41/66/56/1033416656.db2.gz DEAGSYNHDCJBGF-KNBKFLTOSA-N 1 3 353.510 2.857 20 0 FFADHO CCCCCN1C[C@H]2OCCN(C(=O)CCC[NH+](CCC)CCC)[C@H]2C1 ZINC001218951999 1033422937 /nfs/dbraw/zinc/42/29/37/1033422937.db2.gz HJSIVHREEVQZAG-VQTJNVASSA-N 1 3 367.578 2.990 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223402647 1033430196 /nfs/dbraw/zinc/43/01/96/1033430196.db2.gz ODFFTEYUTBRJKB-XUVXKRRUSA-N 1 3 356.514 2.529 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223402647 1033430202 /nfs/dbraw/zinc/43/02/02/1033430202.db2.gz ODFFTEYUTBRJKB-XUVXKRRUSA-N 1 3 356.514 2.529 20 0 FFADHO COc1cc2c(cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1)oc1ccccc12 ZINC001218964158 1033431784 /nfs/dbraw/zinc/43/17/84/1033431784.db2.gz QGZXPJFDNSXKRQ-IBGZPJMESA-N 1 3 353.422 2.860 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001223453796 1033451015 /nfs/dbraw/zinc/45/10/15/1033451015.db2.gz MNMWBIWKIRXMOW-CTNGQTDRSA-N 1 3 372.557 2.866 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001223453796 1033451023 /nfs/dbraw/zinc/45/10/23/1033451023.db2.gz MNMWBIWKIRXMOW-CTNGQTDRSA-N 1 3 372.557 2.866 20 0 FFADHO CC1(C)CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC001223527797 1033481805 /nfs/dbraw/zinc/48/18/05/1033481805.db2.gz ISHHDCQYPDPLJL-SFHVURJKSA-N 1 3 358.530 2.823 20 0 FFADHO C[NH2+]CCC(=O)N(c1ccccc1N)C1CCN(Cc2ccccc2)CC1 ZINC001219063525 1033501159 /nfs/dbraw/zinc/50/11/59/1033501159.db2.gz GOWHBPRLGHJLBB-UHFFFAOYSA-N 1 3 366.509 2.876 20 0 FFADHO O=C(Nc1cccc2ccc(-c3ccccc3)nc21)[C@H]1C[NH2+]CC12CNC2 ZINC001219220069 1033560376 /nfs/dbraw/zinc/56/03/76/1033560376.db2.gz ATUBYRLYLFEEAL-QGZVFWFLSA-N 1 3 358.445 2.649 20 0 FFADHO Nc1ncc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)cn1 ZINC001138164116 1033884246 /nfs/dbraw/zinc/88/42/46/1033884246.db2.gz IISOPYDIIKSNKT-UHFFFAOYSA-N 1 3 357.527 2.999 20 0 FFADHO C[NH2+][C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H](C)OC(C)(C)C ZINC001219999025 1033934097 /nfs/dbraw/zinc/93/40/97/1033934097.db2.gz IHKSDZNMTSSGSO-QRQLOZEOSA-N 1 3 361.530 2.731 20 0 FFADHO CN[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H](C)OC(C)(C)C ZINC001219999025 1033934107 /nfs/dbraw/zinc/93/41/07/1033934107.db2.gz IHKSDZNMTSSGSO-QRQLOZEOSA-N 1 3 361.530 2.731 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000831417352 1034069029 /nfs/dbraw/zinc/06/90/29/1034069029.db2.gz UFCKKHIKTXWHIO-OALUTQOASA-N 1 3 367.497 2.704 20 0 FFADHO Cc1cccc(C[C@]2(C(=O)N[C@@H](C)CN3CCC(C)CC3)CCC[NH2+]2)c1 ZINC001220335157 1034123693 /nfs/dbraw/zinc/12/36/93/1034123693.db2.gz IHPBSZBXRAOWGE-UGKGYDQZSA-N 1 3 357.542 2.896 20 0 FFADHO [NH3+]CCN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1)C12CC3CC(CC(C3)C1)C2 ZINC001220538379 1034243454 /nfs/dbraw/zinc/24/34/54/1034243454.db2.gz MKGPOQCSFITEQE-YRCZHWOXSA-N 1 3 373.463 2.673 20 0 FFADHO COc1ccc2cccc(CCNC(=O)[C@@H](N)CCCC[NH+](C)C)c2c1 ZINC001220645978 1034312842 /nfs/dbraw/zinc/31/28/42/1034312842.db2.gz HQMPWKJLNIEAID-FQEVSTJZSA-N 1 3 357.498 2.566 20 0 FFADHO N[C@@H](C(=O)NCc1c(Cl)ccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC001220816405 1034412306 /nfs/dbraw/zinc/41/23/06/1034412306.db2.gz LNJJZNHDSVDTFM-CYBMUJFWSA-N 1 3 350.677 2.590 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCc2ccc(C(F)(F)F)cc21 ZINC001221086629 1034538869 /nfs/dbraw/zinc/53/88/69/1034538869.db2.gz AAZBQFOJNPAXGD-JKSUJKDBSA-N 1 3 357.420 2.868 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC001226161626 1034551775 /nfs/dbraw/zinc/55/17/75/1034551775.db2.gz RMTHNISARIVVQF-AQNXPRMDSA-N 1 3 365.562 2.693 20 0 FFADHO COc1cccc(CN(C(=O)[C@@H](N)CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001221186369 1034594109 /nfs/dbraw/zinc/59/41/09/1034594109.db2.gz XAIRQLOMNAWZDA-BJLQDIEVSA-N 1 3 359.514 2.811 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CC[C@@H](OCc2ccccc2)CC1 ZINC001221198564 1034598466 /nfs/dbraw/zinc/59/84/66/1034598466.db2.gz DBANCHHGKSLUFN-ZCNNSNEGSA-N 1 3 361.530 2.690 20 0 FFADHO COc1ccnc(O[C@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC001138773786 1034641253 /nfs/dbraw/zinc/64/12/53/1034641253.db2.gz NTLZFDJRLZVKJR-FQEVSTJZSA-N 1 3 371.481 2.684 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001221293174 1034654655 /nfs/dbraw/zinc/65/46/55/1034654655.db2.gz AXYMPTZXQSLZOX-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001221293174 1034654662 /nfs/dbraw/zinc/65/46/62/1034654662.db2.gz AXYMPTZXQSLZOX-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCOCC2)CCC1 ZINC001226782477 1034836229 /nfs/dbraw/zinc/83/62/29/1034836229.db2.gz NIPOIUIRLUTLKW-RTBURBONSA-N 1 3 365.562 2.695 20 0 FFADHO CO[C@@H](C)CCOc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160650 1034956206 /nfs/dbraw/zinc/95/62/06/1034956206.db2.gz KKKBKERMDBILLJ-INIZCTEOSA-N 1 3 351.535 2.675 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCCc4ccc(F)cc43)C[C@H]21 ZINC001221791641 1035072433 /nfs/dbraw/zinc/07/24/33/1035072433.db2.gz WFLKASJDNTYOSQ-LSTHTHJFSA-N 1 3 359.489 2.688 20 0 FFADHO c1cc(C[N@H+]2CCC3(C2)CCN(Cc2c[nH]c4nccnc24)CC3)co1 ZINC001232546001 1035796794 /nfs/dbraw/zinc/79/67/94/1035796794.db2.gz LFBZBGXOSSMQCX-UHFFFAOYSA-N 1 3 351.454 2.991 20 0 FFADHO c1cc(C[N@@H+]2CCC3(C2)CCN(Cc2c[nH]c4nccnc24)CC3)co1 ZINC001232546001 1035796810 /nfs/dbraw/zinc/79/68/10/1035796810.db2.gz LFBZBGXOSSMQCX-UHFFFAOYSA-N 1 3 351.454 2.991 20 0 FFADHO CC(C)(O)c1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)cn1 ZINC001232822586 1036068196 /nfs/dbraw/zinc/06/81/96/1036068196.db2.gz DOUSIGZPDCTMRT-UHFFFAOYSA-N 1 3 361.530 2.633 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1Cl ZINC001228365635 1036073244 /nfs/dbraw/zinc/07/32/44/1036073244.db2.gz GJUADMMEMUMYEG-IAGOWNOFSA-N 1 3 355.885 2.948 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001228435637 1036111537 /nfs/dbraw/zinc/11/15/37/1036111537.db2.gz PMSRHPTURVSELU-JFIYKMOQSA-N 1 3 366.937 2.838 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)C1 ZINC001228602789 1036199150 /nfs/dbraw/zinc/19/91/50/1036199150.db2.gz LDLUQAKQSLWVKM-KYDZLVNBSA-N 1 3 359.917 2.968 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001228603755 1036201999 /nfs/dbraw/zinc/20/19/99/1036201999.db2.gz UOQGDBBUWSTJMN-HLIPFELVSA-N 1 3 371.541 2.643 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1)N(C)C ZINC001228661397 1036240614 /nfs/dbraw/zinc/24/06/14/1036240614.db2.gz RDYLEWLCIKDXPG-QRVBRYPASA-N 1 3 353.551 2.550 20 0 FFADHO Cc1c[nH]c(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001140861781 1036306216 /nfs/dbraw/zinc/30/62/16/1036306216.db2.gz QZGDKGRDMVSXPP-WOJBJXKFSA-N 1 3 358.530 2.539 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC001228932996 1036415266 /nfs/dbraw/zinc/41/52/66/1036415266.db2.gz XGQHGGBJJQIOLA-VAMGGRTRSA-N 1 3 365.562 2.835 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC(C)C ZINC001229173706 1036533805 /nfs/dbraw/zinc/53/38/05/1036533805.db2.gz FVFNBTXQTAFTJE-RTBURBONSA-N 1 3 355.567 2.941 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC001229180015 1036536144 /nfs/dbraw/zinc/53/61/44/1036536144.db2.gz CEESWIUPYMRTNN-XUVXKRRUSA-N 1 3 367.578 2.942 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nsc1C ZINC001229230404 1036566417 /nfs/dbraw/zinc/56/64/17/1036566417.db2.gz GXIILQGNLGURMJ-IAGOWNOFSA-N 1 3 352.548 2.619 20 0 FFADHO CN(Cc1cnc2c(Br)cccn12)CC1CC[NH+](C)CC1 ZINC001233471326 1036645716 /nfs/dbraw/zinc/64/57/16/1036645716.db2.gz AHESLTFRIDOWMJ-UHFFFAOYSA-N 1 3 351.292 2.870 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)nsc1C ZINC001229503508 1036707993 /nfs/dbraw/zinc/70/79/93/1036707993.db2.gz JVEVWCSSDLRHMT-IAGOWNOFSA-N 1 3 352.548 2.619 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)nsc1C ZINC001229503508 1036708016 /nfs/dbraw/zinc/70/80/16/1036708016.db2.gz JVEVWCSSDLRHMT-IAGOWNOFSA-N 1 3 352.548 2.619 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)cc1)N(C)C ZINC001229746306 1036864686 /nfs/dbraw/zinc/86/46/86/1036864686.db2.gz JZZJJEBAEDZQCT-QRVBRYPASA-N 1 3 365.493 2.562 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc(F)c4ccoc43)C2)C1=O ZINC001277889496 1037175457 /nfs/dbraw/zinc/17/54/57/1037175457.db2.gz KCRJLIHFHVJWQC-FQEVSTJZSA-N 1 3 359.445 2.558 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc(F)c4ccoc43)C2)C1=O ZINC001277889496 1037175465 /nfs/dbraw/zinc/17/54/65/1037175465.db2.gz KCRJLIHFHVJWQC-FQEVSTJZSA-N 1 3 359.445 2.558 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC001230279882 1037192008 /nfs/dbraw/zinc/19/20/08/1037192008.db2.gz JMYPNPKYDFPNDY-WOJBJXKFSA-N 1 3 359.514 2.574 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001207281374 1037310953 /nfs/dbraw/zinc/31/09/53/1037310953.db2.gz AJAGVJOVAGYBLK-GOSISDBHSA-N 1 3 367.488 2.602 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001207281374 1037310970 /nfs/dbraw/zinc/31/09/70/1037310970.db2.gz AJAGVJOVAGYBLK-GOSISDBHSA-N 1 3 367.488 2.602 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001207282117 1037314165 /nfs/dbraw/zinc/31/41/65/1037314165.db2.gz MIBOXKHIUHXXGI-UHFFFAOYSA-N 1 3 366.575 2.650 20 0 FFADHO CC(C)(CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCOCC1 ZINC001207308102 1037336437 /nfs/dbraw/zinc/33/64/37/1037336437.db2.gz RYVMQZSYCFYMNE-FCHUYYIVSA-N 1 3 371.569 2.941 20 0 FFADHO CC(C)(CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCOCC1 ZINC001207308102 1037336448 /nfs/dbraw/zinc/33/64/48/1037336448.db2.gz RYVMQZSYCFYMNE-FCHUYYIVSA-N 1 3 371.569 2.941 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CC1CCC(F)(F)CC1)CC2 ZINC001207345345 1037367200 /nfs/dbraw/zinc/36/72/00/1037367200.db2.gz FPZZHOAVVRVMJG-UHFFFAOYSA-N 1 3 367.484 2.636 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CC1CCC(F)(F)CC1)CC2 ZINC001207345345 1037367219 /nfs/dbraw/zinc/36/72/19/1037367219.db2.gz FPZZHOAVVRVMJG-UHFFFAOYSA-N 1 3 367.484 2.636 20 0 FFADHO Cc1c(Cl)cccc1CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277468467 1037400460 /nfs/dbraw/zinc/40/04/60/1037400460.db2.gz XVJIKOSSGORUDL-QGZVFWFLSA-N 1 3 363.933 2.928 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1cc(C)c(Cl)cc1F)C2 ZINC001235334035 1037486064 /nfs/dbraw/zinc/48/60/64/1037486064.db2.gz HZEXRTKWHDYDQA-GJRWTSMGSA-N 1 3 366.864 2.618 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(Cl)cc3OC)C[C@@H]1CC[NH2+]CC2 ZINC001235352589 1037497798 /nfs/dbraw/zinc/49/77/98/1037497798.db2.gz OYCMGCSVDONXCQ-KXBFYZLASA-N 1 3 366.889 2.713 20 0 FFADHO CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001207537557 1037529490 /nfs/dbraw/zinc/52/94/90/1037529490.db2.gz DPRIFYQJDZOQCN-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001207537557 1037529500 /nfs/dbraw/zinc/52/95/00/1037529500.db2.gz DPRIFYQJDZOQCN-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc(CN2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cc1Cl ZINC001231422325 1037571007 /nfs/dbraw/zinc/57/10/07/1037571007.db2.gz UUHVNKQGTGNABW-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C)[NH+](C)C ZINC001207641646 1037627934 /nfs/dbraw/zinc/62/79/34/1037627934.db2.gz XMSLXIBDNHNIHQ-HBGVWJBISA-N 1 3 368.525 2.758 20 0 FFADHO [NH3+][C@H](Cc1ccccc1)CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001235599358 1037638068 /nfs/dbraw/zinc/63/80/68/1037638068.db2.gz YFYXXVATYLMMMW-RZUBCFFCSA-N 1 3 369.484 2.533 20 0 FFADHO CCOCCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790365 1037732246 /nfs/dbraw/zinc/73/22/46/1037732246.db2.gz QNTXEPRZRICOMX-SJLPKXTDSA-N 1 3 353.551 2.503 20 0 FFADHO CCOCCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790365 1037732263 /nfs/dbraw/zinc/73/22/63/1037732263.db2.gz QNTXEPRZRICOMX-SJLPKXTDSA-N 1 3 353.551 2.503 20 0 FFADHO CCOc1cc(CN2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1F ZINC001235800735 1037752952 /nfs/dbraw/zinc/75/29/52/1037752952.db2.gz GYQSCMFSWDDLKB-RTBURBONSA-N 1 3 372.488 2.912 20 0 FFADHO CCOc1cc(CN2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1F ZINC001235800735 1037752965 /nfs/dbraw/zinc/75/29/65/1037752965.db2.gz GYQSCMFSWDDLKB-RTBURBONSA-N 1 3 372.488 2.912 20 0 FFADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207922987 1037852208 /nfs/dbraw/zinc/85/22/08/1037852208.db2.gz BDBPRGRLDOTXEY-IBGZPJMESA-N 1 3 359.514 2.910 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN(Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001236078055 1037919689 /nfs/dbraw/zinc/91/96/89/1037919689.db2.gz MWAIABRXIQRZMO-AWEZNQCLSA-N 1 3 361.383 2.531 20 0 FFADHO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001255633907 1038095625 /nfs/dbraw/zinc/09/56/25/1038095625.db2.gz QBELXVYZRTTXKO-HOCLYGCPSA-N 1 3 371.447 2.732 20 0 FFADHO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001255633893 1038096889 /nfs/dbraw/zinc/09/68/89/1038096889.db2.gz QBELXVYZRTTXKO-GDBMZVCRSA-N 1 3 371.447 2.732 20 0 FFADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001208166621 1038106321 /nfs/dbraw/zinc/10/63/21/1038106321.db2.gz BGITYZJYMHFWAY-UYAOXDASSA-N 1 3 357.542 2.803 20 0 FFADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001208166621 1038106331 /nfs/dbraw/zinc/10/63/31/1038106331.db2.gz BGITYZJYMHFWAY-UYAOXDASSA-N 1 3 357.542 2.803 20 0 FFADHO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3CC2(C[NH+](C)C)CCCC2)n1 ZINC001208185790 1038120996 /nfs/dbraw/zinc/12/09/96/1038120996.db2.gz QYNGEMSMZRNPLR-VQTJNVASSA-N 1 3 370.541 2.687 20 0 FFADHO C[NH+](C)CC1(CN2CCN3C[C@@H](Oc4ccccc4)C[C@H]3C2)CCCC1 ZINC001208186383 1038123706 /nfs/dbraw/zinc/12/37/06/1038123706.db2.gz JQLUHURQFREEJO-FPOVZHCZSA-N 1 3 357.542 2.946 20 0 FFADHO COC(=O)c1ccc(CN2CC[NH+](C3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001255679934 1038124417 /nfs/dbraw/zinc/12/44/17/1038124417.db2.gz BBRJZQGXURXYCX-WCRBZPEASA-N 1 3 371.525 2.606 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)N(C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255807928 1038179938 /nfs/dbraw/zinc/17/99/38/1038179938.db2.gz JUPUEFKNERUDBV-BQFCYCMXSA-N 1 3 350.528 2.973 20 0 FFADHO Cc1ccc(CN(Cc2cnc3n2CCNC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236727718 1038221241 /nfs/dbraw/zinc/22/12/41/1038221241.db2.gz ZCQNMADLWPHCJZ-WGSAOQKQSA-N 1 3 353.514 2.567 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001255934172 1038260577 /nfs/dbraw/zinc/26/05/77/1038260577.db2.gz ZEHDAMAYPUSOCW-MSOLQXFVSA-N 1 3 373.541 2.552 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001255934172 1038260583 /nfs/dbraw/zinc/26/05/83/1038260583.db2.gz ZEHDAMAYPUSOCW-MSOLQXFVSA-N 1 3 373.541 2.552 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001255971395 1038281642 /nfs/dbraw/zinc/28/16/42/1038281642.db2.gz JMCRFKBURAPHKE-OAHLLOKOSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434808 1038313079 /nfs/dbraw/zinc/31/30/79/1038313079.db2.gz CSUXDMYSBWRZJA-NIKGAXFTSA-N 1 3 359.489 2.591 20 0 FFADHO O=C1NC2(C[C@H]1c1ccccc1)CCN(C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077329 1038361989 /nfs/dbraw/zinc/36/19/89/1038361989.db2.gz FJPJWKHKPAASID-FQEVSTJZSA-N 1 3 353.510 2.752 20 0 FFADHO CC[NH+]1CCC(CN2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC001208592761 1038431446 /nfs/dbraw/zinc/43/14/46/1038431446.db2.gz AXGQTFWEVOLQJD-UHFFFAOYSA-N 1 3 367.335 2.698 20 0 FFADHO C[C@H]1C[C@H](NCCOc2ccccc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256527991 1038545047 /nfs/dbraw/zinc/54/50/47/1038545047.db2.gz BVPOQISZFGMTMC-PKOBYXMFSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@H]1C[C@H](NCCOc2ccccc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256527991 1038545053 /nfs/dbraw/zinc/54/50/53/1038545053.db2.gz BVPOQISZFGMTMC-PKOBYXMFSA-N 1 3 367.493 2.807 20 0 FFADHO c1cc(CC2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)ccn1 ZINC001256680982 1038600755 /nfs/dbraw/zinc/60/07/55/1038600755.db2.gz HOOANZDAWBGNPQ-UHFFFAOYSA-N 1 3 373.541 2.654 20 0 FFADHO COc1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)cc1 ZINC001256687605 1038602973 /nfs/dbraw/zinc/60/29/73/1038602973.db2.gz ZMHRJGKGGWKQAC-UHFFFAOYSA-N 1 3 374.525 2.934 20 0 FFADHO COC(=O)CC[N@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256694648 1038605007 /nfs/dbraw/zinc/60/50/07/1038605007.db2.gz BNEPBARVFSCYGR-UHFFFAOYSA-N 1 3 360.498 2.695 20 0 FFADHO COC(=O)CC[N@@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256694648 1038605010 /nfs/dbraw/zinc/60/50/10/1038605010.db2.gz BNEPBARVFSCYGR-UHFFFAOYSA-N 1 3 360.498 2.695 20 0 FFADHO C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(N2CCOCC2)CC1 ZINC001256694674 1038605219 /nfs/dbraw/zinc/60/52/19/1038605219.db2.gz CJSFQDSVXBFVGF-ABHNRTSZSA-N 1 3 367.534 2.571 20 0 FFADHO C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(N2CCOCC2)CC1 ZINC001256694674 1038605221 /nfs/dbraw/zinc/60/52/21/1038605221.db2.gz CJSFQDSVXBFVGF-ABHNRTSZSA-N 1 3 367.534 2.571 20 0 FFADHO Cc1cncnc1O[C@@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956491 1038607072 /nfs/dbraw/zinc/60/70/72/1038607072.db2.gz AWLXNTRQWUHCLF-VQTJNVASSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cncnc1O[C@@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956491 1038607076 /nfs/dbraw/zinc/60/70/76/1038607076.db2.gz AWLXNTRQWUHCLF-VQTJNVASSA-N 1 3 352.482 2.760 20 0 FFADHO CCCNC(=O)COC1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208965011 1038609285 /nfs/dbraw/zinc/60/92/85/1038609285.db2.gz VFNZQZJSWFEOAI-FQEVSTJZSA-N 1 3 373.541 2.516 20 0 FFADHO CCCNC(=O)COC1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208965011 1038609287 /nfs/dbraw/zinc/60/92/87/1038609287.db2.gz VFNZQZJSWFEOAI-FQEVSTJZSA-N 1 3 373.541 2.516 20 0 FFADHO CN1CC[C@@H]2C[N@@H+](C3CCN(c4ncccc4C(F)(F)F)CC3)C[C@@H]2C1 ZINC001256888236 1038646864 /nfs/dbraw/zinc/64/68/64/1038646864.db2.gz BFQVAJPTWICFBN-CABCVRRESA-N 1 3 368.447 2.953 20 0 FFADHO CN1CC[C@@H]2C[N@H+](C3CCN(c4ncccc4C(F)(F)F)CC3)C[C@@H]2C1 ZINC001256888236 1038646868 /nfs/dbraw/zinc/64/68/68/1038646868.db2.gz BFQVAJPTWICFBN-CABCVRRESA-N 1 3 368.447 2.953 20 0 FFADHO COCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001209049430 1038650337 /nfs/dbraw/zinc/65/03/37/1038650337.db2.gz GKVNFKRFLALMON-UNMCSNQZSA-N 1 3 373.541 2.669 20 0 FFADHO COCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001209049430 1038650343 /nfs/dbraw/zinc/65/03/43/1038650343.db2.gz GKVNFKRFLALMON-UNMCSNQZSA-N 1 3 373.541 2.669 20 0 FFADHO Cc1cc(C[N@@H+]2CCC3(C2)CCN(Cc2cccnc2F)CC3)n(C)n1 ZINC001278996081 1038726304 /nfs/dbraw/zinc/72/63/04/1038726304.db2.gz FDAJNAFEIPITSZ-UHFFFAOYSA-N 1 3 357.477 2.751 20 0 FFADHO Cc1cc(C[N@H+]2CCC3(C2)CCN(Cc2cccnc2F)CC3)n(C)n1 ZINC001278996081 1038726311 /nfs/dbraw/zinc/72/63/11/1038726311.db2.gz FDAJNAFEIPITSZ-UHFFFAOYSA-N 1 3 357.477 2.751 20 0 FFADHO CN(C)C(=O)C1CC[NH+](C2CCN(CC3Cc4ccccc4C3)CC2)CC1 ZINC001209321518 1038759295 /nfs/dbraw/zinc/75/92/95/1038759295.db2.gz VEYYZXHWAIQADO-UHFFFAOYSA-N 1 3 369.553 2.666 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257554649 1038858610 /nfs/dbraw/zinc/85/86/10/1038858610.db2.gz SNOZSPZPVDSASO-MRXNPFEDSA-N 1 3 368.363 2.996 20 0 FFADHO Cc1cc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc(C)c1O ZINC001278624218 1038923424 /nfs/dbraw/zinc/92/34/24/1038923424.db2.gz XGKDDTJBQYORLZ-UHFFFAOYSA-N 1 3 354.498 2.804 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)CC1 ZINC001258014371 1039111972 /nfs/dbraw/zinc/11/19/72/1039111972.db2.gz HKOFAAZMEORQKM-FQEVSTJZSA-N 1 3 370.541 2.640 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001251411350 1039116119 /nfs/dbraw/zinc/11/61/19/1039116119.db2.gz FHVJNDZYYOZJEL-MRXNPFEDSA-N 1 3 368.472 2.522 20 0 FFADHO CCOC(=O)CC1CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001258028677 1039126643 /nfs/dbraw/zinc/12/66/43/1039126643.db2.gz OLHXJNXCTRHRAD-NZKYNAJMSA-N 1 3 352.519 2.731 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnccc1N)CC2 ZINC001209731534 1039164592 /nfs/dbraw/zinc/16/45/92/1039164592.db2.gz XSUZLRRZPUMWHK-HXUWFJFHSA-N 1 3 366.509 2.750 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnccc1N)CC2 ZINC001209731534 1039164599 /nfs/dbraw/zinc/16/45/99/1039164599.db2.gz XSUZLRRZPUMWHK-HXUWFJFHSA-N 1 3 366.509 2.750 20 0 FFADHO CN(CC1(O)CC[NH2+]CC1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001246047633 1039218809 /nfs/dbraw/zinc/21/88/09/1039218809.db2.gz VXADJBXMDQVVIC-UHFFFAOYSA-N 1 3 365.521 2.507 20 0 FFADHO Cc1ccccc1OC[C@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001251742315 1039282877 /nfs/dbraw/zinc/28/28/77/1039282877.db2.gz CZBAAKUTFQRJGS-OAQYLSRUSA-N 1 3 369.509 2.632 20 0 FFADHO COc1cccc2c1C[C@H]([NH2+][C@@H]1CCN[C@H](Cc3ccccc3)C1)CO2 ZINC001246314934 1039310181 /nfs/dbraw/zinc/31/01/81/1039310181.db2.gz CKBRFGMDOWMZJJ-QRVBRYPASA-N 1 3 352.478 2.952 20 0 FFADHO Cc1cc(F)ccc1[C@@H]1C[C@H](NCC[C@H](N)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246388277 1039332474 /nfs/dbraw/zinc/33/24/74/1039332474.db2.gz FYLFITIHTKFIQV-NJAFHUGGSA-N 1 3 365.493 2.576 20 0 FFADHO C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CN1 ZINC001246387045 1039333807 /nfs/dbraw/zinc/33/38/07/1039333807.db2.gz ARCLESHJDHJTHY-WMLDXEAASA-N 1 3 370.946 2.560 20 0 FFADHO O[C@H](COc1ccc(F)cc1)C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001251925298 1039357193 /nfs/dbraw/zinc/35/71/93/1039357193.db2.gz JRMMIUAJYWHRDL-SBHAEUEKSA-N 1 3 370.468 2.629 20 0 FFADHO C[C@@H](CCN)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246516341 1039381700 /nfs/dbraw/zinc/38/17/00/1039381700.db2.gz VOULJLFWBRGZHS-FZKCQIBNSA-N 1 3 370.534 2.782 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001246606124 1039412343 /nfs/dbraw/zinc/41/23/43/1039412343.db2.gz RKGWJRSFQUCHAO-CQSZACIVSA-N 1 3 358.404 2.971 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1[C@H]1CCc3c(C)cccc3C1)CC[NH2+]CC2 ZINC001246606303 1039412908 /nfs/dbraw/zinc/41/29/08/1039412908.db2.gz XRQRRCLGCQAVNS-ICSRJNTNSA-N 1 3 356.510 2.860 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1C ZINC001210179139 1039419015 /nfs/dbraw/zinc/41/90/15/1039419015.db2.gz JESFXZTWPMGPMP-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1C ZINC001210179139 1039419022 /nfs/dbraw/zinc/41/90/22/1039419022.db2.gz JESFXZTWPMGPMP-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@]23CNC[C@@H](C[C@H]2C1)O3 ZINC001246683438 1039437870 /nfs/dbraw/zinc/43/78/70/1039437870.db2.gz JTRXLLGYIBJXRW-OXXUSNJHSA-N 1 3 370.415 2.969 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]23CNC[C@@H](C[C@H]2C1)O3 ZINC001246683438 1039437872 /nfs/dbraw/zinc/43/78/72/1039437872.db2.gz JTRXLLGYIBJXRW-OXXUSNJHSA-N 1 3 370.415 2.969 20 0 FFADHO C[C@@H]1CC[C@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C[NH2+]1 ZINC001246754383 1039465175 /nfs/dbraw/zinc/46/51/75/1039465175.db2.gz IMPPCGHXTYRNTI-NEWSRXKRSA-N 1 3 364.484 2.755 20 0 FFADHO Fc1cccc(N2CCOC[C@]3(CCCN([C@H]4CCC[NH2+]CC4)C3)C2)c1 ZINC001246755718 1039467708 /nfs/dbraw/zinc/46/77/08/1039467708.db2.gz LWQUMTFKDDXVML-FPOVZHCZSA-N 1 3 361.505 2.887 20 0 FFADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CCN1 ZINC001246760295 1039469827 /nfs/dbraw/zinc/46/98/27/1039469827.db2.gz VKLZKCWXGWHSRO-MHJIAYJDSA-N 1 3 361.555 2.505 20 0 FFADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CCN1 ZINC001246760295 1039469838 /nfs/dbraw/zinc/46/98/38/1039469838.db2.gz VKLZKCWXGWHSRO-MHJIAYJDSA-N 1 3 361.555 2.505 20 0 FFADHO CC(C)[C@H]1C[C@@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246769588 1039474271 /nfs/dbraw/zinc/47/42/71/1039474271.db2.gz JOWDIAKUCHMYEE-RBUKOAKNSA-N 1 3 359.562 2.898 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246805894 1039487206 /nfs/dbraw/zinc/48/72/06/1039487206.db2.gz KVEVCSUMGNKASS-SJORKVTESA-N 1 3 352.320 2.880 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246805894 1039487208 /nfs/dbraw/zinc/48/72/08/1039487208.db2.gz KVEVCSUMGNKASS-SJORKVTESA-N 1 3 352.320 2.880 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(OC2CCOCC2)ncn1 ZINC001258905052 1039574758 /nfs/dbraw/zinc/57/47/58/1039574758.db2.gz TYDVNWBTCUNTQI-MRXNPFEDSA-N 1 3 350.507 2.635 20 0 FFADHO CC(C)OC[C@@H](O)C[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001252678526 1039644662 /nfs/dbraw/zinc/64/46/62/1039644662.db2.gz ZZXLHDKJGDLGBC-PKOBYXMFSA-N 1 3 350.503 2.742 20 0 FFADHO COc1cccc2c(CNC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)c[nH]c21 ZINC001252949123 1039849877 /nfs/dbraw/zinc/84/98/77/1039849877.db2.gz HFYFKMSTAIKWRD-JOCHJYFZSA-N 1 3 365.477 2.903 20 0 FFADHO COc1cccc2c(CNC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c[nH]c21 ZINC001252949123 1039849899 /nfs/dbraw/zinc/84/98/99/1039849899.db2.gz HFYFKMSTAIKWRD-JOCHJYFZSA-N 1 3 365.477 2.903 20 0 FFADHO O[C@@]1(CN[C@H]2CSc3ccccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951539 1039865130 /nfs/dbraw/zinc/86/51/30/1039865130.db2.gz SHCZDZNWUWEGIL-TZIWHRDSSA-N 1 3 354.519 2.930 20 0 FFADHO O[C@@]1(CN[C@H]2CSc3ccccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951539 1039865149 /nfs/dbraw/zinc/86/51/49/1039865149.db2.gz SHCZDZNWUWEGIL-TZIWHRDSSA-N 1 3 354.519 2.930 20 0 FFADHO CCC1([NH2+]C[C@H](O)CNC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253411246 1040159475 /nfs/dbraw/zinc/15/94/75/1040159475.db2.gz GDTNHCXXZKERBP-OAHLLOKOSA-N 1 3 357.539 2.505 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001248468563 1040287948 /nfs/dbraw/zinc/28/79/48/1040287948.db2.gz LSKQWTGLKACTHF-UIFIKXQLSA-N 1 3 362.562 2.624 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001248468563 1040287967 /nfs/dbraw/zinc/28/79/67/1040287967.db2.gz LSKQWTGLKACTHF-UIFIKXQLSA-N 1 3 362.562 2.624 20 0 FFADHO COc1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c1 ZINC001253958780 1040473891 /nfs/dbraw/zinc/47/38/91/1040473891.db2.gz NYFDGKKEIFBLQC-FHWLQOOXSA-N 1 3 362.514 2.774 20 0 FFADHO COc1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c1 ZINC001253958780 1040473893 /nfs/dbraw/zinc/47/38/93/1040473893.db2.gz NYFDGKKEIFBLQC-FHWLQOOXSA-N 1 3 362.514 2.774 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCC2CCCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434872 1040549916 /nfs/dbraw/zinc/54/99/16/1040549916.db2.gz NZIFFBUIFSXKFM-HSALFYBXSA-N 1 3 367.578 2.893 20 0 FFADHO OC1(C[NH2+]Cc2cccc3ncoc32)CCN(Cc2ccccc2)CC1 ZINC001254051712 1040554165 /nfs/dbraw/zinc/55/41/65/1040554165.db2.gz WPQIGDSFWGRIEA-UHFFFAOYSA-N 1 3 351.450 2.945 20 0 FFADHO NCCC[NH2+]CCCCn1cc(-c2cc(Br)ccc2F)nn1 ZINC001254163228 1040590393 /nfs/dbraw/zinc/59/03/93/1040590393.db2.gz OLZBERYOJWKDNV-UHFFFAOYSA-N 1 3 370.270 2.565 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](CCCN)C2CCCCC2)CC1=O ZINC001254228490 1040625054 /nfs/dbraw/zinc/62/50/54/1040625054.db2.gz NPEIELHHFNEGHT-INIZCTEOSA-N 1 3 353.507 2.896 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CCCN)C2CCCCC2)CC1=O ZINC001254228490 1040625059 /nfs/dbraw/zinc/62/50/59/1040625059.db2.gz NPEIELHHFNEGHT-INIZCTEOSA-N 1 3 353.507 2.896 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)C1 ZINC001254227988 1040626316 /nfs/dbraw/zinc/62/63/16/1040626316.db2.gz JBVOZDMKIQDJFD-IXDOHACOSA-N 1 3 367.534 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)C1 ZINC001254227988 1040626326 /nfs/dbraw/zinc/62/63/26/1040626326.db2.gz JBVOZDMKIQDJFD-IXDOHACOSA-N 1 3 367.534 2.870 20 0 FFADHO COc1ccsc1C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001278782416 1040700828 /nfs/dbraw/zinc/70/08/28/1040700828.db2.gz MHWHZZYDROCOCP-UHFFFAOYSA-N 1 3 365.543 2.523 20 0 FFADHO CN1CCC[C@@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001254534576 1040785747 /nfs/dbraw/zinc/78/57/47/1040785747.db2.gz XKECRSBYSQEYDI-LJQANCHMSA-N 1 3 351.498 2.750 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255054280 1041121222 /nfs/dbraw/zinc/12/12/22/1041121222.db2.gz XIAZZHXDVBFMIZ-RZBXZUARSA-N 1 3 367.534 2.616 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001261295100 1041146069 /nfs/dbraw/zinc/14/60/69/1041146069.db2.gz OAVHMXLIZPYSFB-SJORKVTESA-N 1 3 352.548 2.694 20 0 FFADHO Cn1cc2c(n1)[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)OCC2 ZINC001255122247 1041156976 /nfs/dbraw/zinc/15/69/76/1041156976.db2.gz NVCPOZYQKJGJEB-BURNTYAHSA-N 1 3 366.509 2.819 20 0 FFADHO COc1cccc([C@H](O)C[NH2+]CC2CCN(Cc3ccccn3)CC2)c1 ZINC001250737045 1041336089 /nfs/dbraw/zinc/33/60/89/1041336089.db2.gz NJLLVEYURSGDJP-OAQYLSRUSA-N 1 3 355.482 2.625 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC/C=C/c1ccccc1 ZINC001214855767 1041595573 /nfs/dbraw/zinc/59/55/73/1041595573.db2.gz NLRGIXPWDZKHBQ-JMWXRPPBSA-N 1 3 355.526 2.867 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NCc1ccns1 ZINC001215226703 1041706191 /nfs/dbraw/zinc/70/61/91/1041706191.db2.gz QJJKURUKEPTGGZ-NVXWUHKLSA-N 1 3 364.559 2.592 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC(C(C)(C)C[NH3+])CC1)Cc1ccccc1 ZINC001262559162 1041719710 /nfs/dbraw/zinc/71/97/10/1041719710.db2.gz CATIDJVETJBVGD-LJQANCHMSA-N 1 3 360.546 2.566 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001215557963 1041827074 /nfs/dbraw/zinc/82/70/74/1041827074.db2.gz GSRVUWKCQCHWIO-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001216464307 1042032349 /nfs/dbraw/zinc/03/23/49/1042032349.db2.gz ODBDDWSEMCMPMC-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC001216511621 1042045245 /nfs/dbraw/zinc/04/52/45/1042045245.db2.gz XHHMAOWSYFMHSL-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO [NH3+][C@@H]1CC2(CCN(C(=O)c3ccc4c(c3)CNC4)CC2)Oc2ccccc21 ZINC001263224036 1042181188 /nfs/dbraw/zinc/18/11/88/1042181188.db2.gz ZUEWWTWJWVDQLJ-LJQANCHMSA-N 1 3 363.461 2.747 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@]23CCC[NH2+]C3)cc(Cl)n1 ZINC001263329216 1042243691 /nfs/dbraw/zinc/24/36/91/1042243691.db2.gz ZSUZGGNGSHAJOR-CRAIPNDOSA-N 1 3 350.894 2.568 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(CC[NH3+])cc1 ZINC000382715105 1042440857 /nfs/dbraw/zinc/44/08/57/1042440857.db2.gz BMTWBWSXWCFWQB-SFHVURJKSA-N 1 3 351.494 2.924 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001264096907 1042623351 /nfs/dbraw/zinc/62/33/51/1042623351.db2.gz WHSGZILCODZGIT-MOPGFXCFSA-N 1 3 367.578 2.560 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001264096907 1042623352 /nfs/dbraw/zinc/62/33/52/1042623352.db2.gz WHSGZILCODZGIT-MOPGFXCFSA-N 1 3 367.578 2.560 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1)N(C)C ZINC001264467259 1042683357 /nfs/dbraw/zinc/68/33/57/1042683357.db2.gz AMTJFLVKECEZGP-JCKWVBRZSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1)N(C)C ZINC001264478638 1042689145 /nfs/dbraw/zinc/68/91/45/1042689145.db2.gz KKKNDHLYVVMIET-VHSSKADRSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@@H+]1CCCCOC ZINC001264620066 1042751858 /nfs/dbraw/zinc/75/18/58/1042751858.db2.gz SFGJXFSMFNPMMU-GBESFXJTSA-N 1 3 353.551 2.647 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@H+]1CCCCOC ZINC001264620066 1042751861 /nfs/dbraw/zinc/75/18/61/1042751861.db2.gz SFGJXFSMFNPMMU-GBESFXJTSA-N 1 3 353.551 2.647 20 0 FFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001265783480 1042877349 /nfs/dbraw/zinc/87/73/49/1042877349.db2.gz MDJKBYFPAFCLST-PVAVHDDUSA-N 1 3 365.468 2.614 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccnc4[nH]ccc43)CC2)C1 ZINC001279116705 1042906028 /nfs/dbraw/zinc/90/60/28/1042906028.db2.gz SIZWOXHYFFQMCH-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccnc4[nH]ccc43)CC2)C1 ZINC001279116705 1042906029 /nfs/dbraw/zinc/90/60/29/1042906029.db2.gz SIZWOXHYFFQMCH-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccccc3-c3cccs3)C[C@H]21 ZINC001279365384 1043029986 /nfs/dbraw/zinc/02/99/86/1043029986.db2.gz AKZBLKKSFZHTEP-UXHICEINSA-N 1 3 371.550 2.862 20 0 FFADHO Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(Br)c1 ZINC001279418589 1043088808 /nfs/dbraw/zinc/08/88/08/1043088808.db2.gz FEOZLQYBJUOCNY-ROUUACIJSA-N 1 3 366.347 2.968 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccnc(C(F)F)c1)CC2 ZINC001279439548 1043113359 /nfs/dbraw/zinc/11/33/59/1043113359.db2.gz OGTYBCVEEXMIQY-UHFFFAOYSA-N 1 3 352.473 2.869 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccnc(C(F)F)c1)CC2 ZINC001279439548 1043113363 /nfs/dbraw/zinc/11/33/63/1043113363.db2.gz OGTYBCVEEXMIQY-UHFFFAOYSA-N 1 3 352.473 2.869 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cc(Cl)cnc3F)C[C@H]2CC1 ZINC001279452494 1043131566 /nfs/dbraw/zinc/13/15/66/1043131566.db2.gz HSNUJGXEUAUHPG-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)cnc3F)C[C@H]2CC1 ZINC001279452494 1043131571 /nfs/dbraw/zinc/13/15/71/1043131571.db2.gz HSNUJGXEUAUHPG-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO Nc1cc(F)c(F)cc1C[NH2+][C@@]12CC[C@@](NCc3cn[nH]c3)(C1)CCC2 ZINC001279497728 1043187348 /nfs/dbraw/zinc/18/73/48/1043187348.db2.gz NAKBHLORSHPDPD-MOPGFXCFSA-N 1 3 361.440 2.995 20 0 FFADHO Cc1nccc(C[NH2+][C@@]23CC[C@@](NCc4cccc(=O)[nH]4)(C2)CCC3)n1 ZINC001279572719 1043279335 /nfs/dbraw/zinc/27/93/35/1043279335.db2.gz LKYLGBUCYVRJPW-UXHICEINSA-N 1 3 353.470 2.610 20 0 FFADHO Cc1ncsc1CN1CC2(C1)CC[NH+](CC(C)(C)CN(C)C)CC2 ZINC001279592190 1043307016 /nfs/dbraw/zinc/30/70/16/1043307016.db2.gz WHEOJIQMPPKQHR-UHFFFAOYSA-N 1 3 350.576 2.937 20 0 FFADHO Cc1nc(CN2CCC3(CCC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)c[nH]1 ZINC001279604696 1043327886 /nfs/dbraw/zinc/32/78/86/1043327886.db2.gz UCPSXYZOTQOSLV-UHFFFAOYSA-N 1 3 355.486 2.697 20 0 FFADHO Cc1nc(CN2CCC3(CCC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)c[nH]1 ZINC001279604696 1043327892 /nfs/dbraw/zinc/32/78/92/1043327892.db2.gz UCPSXYZOTQOSLV-UHFFFAOYSA-N 1 3 355.486 2.697 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(CC3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001279609150 1043333381 /nfs/dbraw/zinc/33/33/81/1043333381.db2.gz ISIIALOKWJNOGI-SESVDKBCSA-N 1 3 351.579 2.930 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4occc4[S-])C[C@H]3CC2)n(C)n1 ZINC001279689139 1043471124 /nfs/dbraw/zinc/47/11/24/1043471124.db2.gz DYUVQLQZZRKVII-IYBDPMFKSA-N 1 3 360.527 2.954 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4occc4[S-])C[C@H]3CC2)n(C)n1 ZINC001279689139 1043471132 /nfs/dbraw/zinc/47/11/32/1043471132.db2.gz DYUVQLQZZRKVII-IYBDPMFKSA-N 1 3 360.527 2.954 20 0 FFADHO Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4occc4[S-])C[C@H]3CC2)n(C)n1 ZINC001279689139 1043471136 /nfs/dbraw/zinc/47/11/36/1043471136.db2.gz DYUVQLQZZRKVII-IYBDPMFKSA-N 1 3 360.527 2.954 20 0 FFADHO Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4occc4[S-])C[C@H]3CC2)n(C)n1 ZINC001279689139 1043471146 /nfs/dbraw/zinc/47/11/46/1043471146.db2.gz DYUVQLQZZRKVII-IYBDPMFKSA-N 1 3 360.527 2.954 20 0 FFADHO COc1c(O)cccc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001279723810 1043531703 /nfs/dbraw/zinc/53/17/03/1043531703.db2.gz USMUJKIZESOFIV-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO COc1c(O)cccc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001279723810 1043531707 /nfs/dbraw/zinc/53/17/07/1043531707.db2.gz USMUJKIZESOFIV-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)c1ccc2c(n1)CCN(C[C@H]1C[C@H]1C)C2 ZINC001279825156 1043717803 /nfs/dbraw/zinc/71/78/03/1043717803.db2.gz CUTLDGAHBITCFY-SJLPKXTDSA-N 1 3 358.530 2.510 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cc(Cl)cc(Cl)c1 ZINC001239216606 1044072993 /nfs/dbraw/zinc/07/29/93/1044072993.db2.gz ONSKUTBCYMZUAU-ZDUSSCGKSA-N 1 3 357.285 2.989 20 0 FFADHO Cc1nc(-c2cccc(CN3CCN(C)CC3)c2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001240287903 1044299451 /nfs/dbraw/zinc/29/94/51/1044299451.db2.gz WWMFFLKVBQASPX-FQEVSTJZSA-N 1 3 365.525 2.666 20 0 FFADHO FC(F)(F)CCCN1CCO[C@]2(CCC[N@H+](CCN3CCCC3)C2)C1 ZINC001280224787 1044421546 /nfs/dbraw/zinc/42/15/46/1044421546.db2.gz VOMXNSIHPXAEJK-KRWDZBQOSA-N 1 3 363.468 2.592 20 0 FFADHO FC(F)(F)CCCN1CCO[C@]2(CCC[N@@H+](CCN3CCCC3)C2)C1 ZINC001280224787 1044421552 /nfs/dbraw/zinc/42/15/52/1044421552.db2.gz VOMXNSIHPXAEJK-KRWDZBQOSA-N 1 3 363.468 2.592 20 0 FFADHO Cc1ccc(CC[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)cc1 ZINC001280231536 1044431530 /nfs/dbraw/zinc/43/15/30/1044431530.db2.gz NXHJBBBQRHHCSS-UHFFFAOYSA-N 1 3 357.542 2.804 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313858643 1044431635 /nfs/dbraw/zinc/43/16/35/1044431635.db2.gz BPEPGANLXODNNV-KSZLIROESA-N 1 3 362.566 2.627 20 0 FFADHO CC[C@@H](C)CN1CCc2nc(C(=O)N3CCC([NH+](C)C)CC3)ccc2C1 ZINC001280251448 1044473890 /nfs/dbraw/zinc/47/38/90/1044473890.db2.gz RTBPTEVGFGWMFI-MRXNPFEDSA-N 1 3 358.530 2.652 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(CCCc1ccccc1)C2 ZINC001280279196 1044529953 /nfs/dbraw/zinc/52/99/53/1044529953.db2.gz SYQNVYNTGSDZJG-FQEVSTJZSA-N 1 3 357.542 2.741 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCc2ccccc2)C1 ZINC001316703800 1044580929 /nfs/dbraw/zinc/58/09/29/1044580929.db2.gz HUMYSXLJMJDXJV-SBHAEUEKSA-N 1 3 357.542 2.788 20 0 FFADHO Cc1cc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ncc1Cl ZINC001280325440 1044610207 /nfs/dbraw/zinc/61/02/07/1044610207.db2.gz ZWFXZCMELLTIAO-IBGZPJMESA-N 1 3 350.938 2.893 20 0 FFADHO CN1C[C@@H](C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1=O ZINC000639321991 1044808453 /nfs/dbraw/zinc/80/84/53/1044808453.db2.gz QTAJQQUQVVTVMY-DENIHFKCSA-N 1 3 357.542 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCc2cc(C)ns2)C2CC2)CC[N@@H+]1C ZINC001318698474 1044815504 /nfs/dbraw/zinc/81/55/04/1044815504.db2.gz LSMCXHJPWPEMMK-SCTDSRPQSA-N 1 3 364.559 2.556 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCc2cc(C)ns2)C2CC2)CC[N@H+]1C ZINC001318698474 1044815525 /nfs/dbraw/zinc/81/55/25/1044815525.db2.gz LSMCXHJPWPEMMK-SCTDSRPQSA-N 1 3 364.559 2.556 20 0 FFADHO CO[C@]1(C)C[C@H](NCC2(C[NH2+][C@H]3C[C@@](C)(OC)C3(C)C)COC2)C1(C)C ZINC001324438791 1046031397 /nfs/dbraw/zinc/03/13/97/1046031397.db2.gz UEFXXXWOGQTCAD-XAMWDVODSA-N 1 3 368.562 2.589 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)OC3CCCCC3)CC2)CC1 ZINC001325449677 1046512316 /nfs/dbraw/zinc/51/23/16/1046512316.db2.gz SRXGDTQRWKZKBV-GOSISDBHSA-N 1 3 365.562 2.743 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@@H](C)OC3CCCCC3)CC2)CC1 ZINC001325449677 1046512328 /nfs/dbraw/zinc/51/23/28/1046512328.db2.gz SRXGDTQRWKZKBV-GOSISDBHSA-N 1 3 365.562 2.743 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC001329251534 1048635959 /nfs/dbraw/zinc/63/59/59/1048635959.db2.gz FOSMYDKDVJVGKO-WOJBJXKFSA-N 1 3 358.530 2.731 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC001329251534 1048635969 /nfs/dbraw/zinc/63/59/69/1048635969.db2.gz FOSMYDKDVJVGKO-WOJBJXKFSA-N 1 3 358.530 2.731 20 0 FFADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccc2c(c1)CNC2 ZINC001333263699 1048791913 /nfs/dbraw/zinc/79/19/13/1048791913.db2.gz XIWYMFVNCFLKGU-OAQYLSRUSA-N 1 3 362.477 2.827 20 0 FFADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccc2c(c1)CNC2 ZINC001333263699 1048791929 /nfs/dbraw/zinc/79/19/29/1048791929.db2.gz XIWYMFVNCFLKGU-OAQYLSRUSA-N 1 3 362.477 2.827 20 0 FFADHO COCC1(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001331021071 1049441624 /nfs/dbraw/zinc/44/16/24/1049441624.db2.gz CSGGKWYWOGEWRZ-UHFFFAOYSA-N 1 3 373.419 2.722 20 0 FFADHO CCC[N@H+](CC)CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001294516217 1049762695 /nfs/dbraw/zinc/76/26/95/1049762695.db2.gz ONRBHTNPJDXNER-SJORKVTESA-N 1 3 362.566 2.806 20 0 FFADHO CCC[N@@H+](CC)CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001294516217 1049762699 /nfs/dbraw/zinc/76/26/99/1049762699.db2.gz ONRBHTNPJDXNER-SJORKVTESA-N 1 3 362.566 2.806 20 0 FFADHO CC[NH+](CC)[C@H](C)Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001295362497 1049918919 /nfs/dbraw/zinc/91/89/19/1049918919.db2.gz PJMUSUNYYZLCKU-QGZVFWFLSA-N 1 3 362.566 2.664 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCC[N@H+](C)C(C)C)C[C@@H]1C ZINC001295997383 1050010838 /nfs/dbraw/zinc/01/08/38/1050010838.db2.gz QGDXEUDXFBQZIS-IRXDYDNUSA-N 1 3 362.566 2.805 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001295997383 1050010844 /nfs/dbraw/zinc/01/08/44/1050010844.db2.gz QGDXEUDXFBQZIS-IRXDYDNUSA-N 1 3 362.566 2.805 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cccc2c1OCCNC2 ZINC001341787369 1050400563 /nfs/dbraw/zinc/40/05/63/1050400563.db2.gz KYSCJMHOBKYKBF-UHFFFAOYSA-N 1 3 371.456 2.512 20 0 FFADHO CC[C@H](C)C[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001340222357 1050630535 /nfs/dbraw/zinc/63/05/35/1050630535.db2.gz KBHGUPSQKWBOFN-JENIJYKNSA-N 1 3 361.530 2.766 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001342111703 1050706609 /nfs/dbraw/zinc/70/66/09/1050706609.db2.gz ATHDMTLKIHIHMM-NJDAHSKKSA-N 1 3 370.541 2.578 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@]23CC[NH2+][C@H]2CCCC3)CC1 ZINC001340410463 1050804791 /nfs/dbraw/zinc/80/47/91/1050804791.db2.gz UKIWPZAMBBABKR-LKUPVBHCSA-N 1 3 356.514 2.646 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2c(s1)CNCC2 ZINC001340792533 1051137416 /nfs/dbraw/zinc/13/74/16/1051137416.db2.gz RBQGROKALFFXDY-UHFFFAOYSA-N 1 3 355.507 2.920 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCNc4ccccc43)CC2)CC1 ZINC001340839988 1051178636 /nfs/dbraw/zinc/17/86/36/1051178636.db2.gz UYPUHDUBQIXGFU-QGZVFWFLSA-N 1 3 370.541 2.651 20 0 FFADHO O=C(c1cccc2c1OCCNC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001340855340 1051191772 /nfs/dbraw/zinc/19/17/72/1051191772.db2.gz VYZNTBCHYZAQHW-GOSISDBHSA-N 1 3 371.525 2.897 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21)[NH+](CC)CC ZINC001342757753 1051373245 /nfs/dbraw/zinc/37/32/45/1051373245.db2.gz NQSUASYEJLLWOT-ZIFCJYIRSA-N 1 3 359.514 2.616 20 0 FFADHO CCCN(C(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC001342913341 1051522501 /nfs/dbraw/zinc/52/25/01/1051522501.db2.gz AZSIRZXDUMLGDJ-ICSRJNTNSA-N 1 3 361.505 2.837 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001343001242 1051617599 /nfs/dbraw/zinc/61/75/99/1051617599.db2.gz LKKDZZDWRVOKRV-KRWDZBQOSA-N 1 3 360.550 2.562 20 0 FFADHO CN(C)C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC001343037467 1051652942 /nfs/dbraw/zinc/65/29/42/1051652942.db2.gz BPPNLVIYVGJSGA-FQEVSTJZSA-N 1 3 355.457 2.547 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)cc(Cl)n1 ZINC001343540442 1052293968 /nfs/dbraw/zinc/29/39/68/1052293968.db2.gz VQPSFSHAPGWKSU-JKSUJKDBSA-N 1 3 364.921 2.801 20 0 FFADHO COC(=O)c1cccc(OCC[N@@H+]2C[C@@]34CN(C)C[C@]3(C2)CCCC4)c1 ZINC001308171190 1052424773 /nfs/dbraw/zinc/42/47/73/1052424773.db2.gz QRQPEKKAWPIMER-OYRHEFFESA-N 1 3 358.482 2.660 20 0 FFADHO COC(=O)c1cccc(OCC[N@H+]2C[C@@]34CN(C)C[C@]3(C2)CCCC4)c1 ZINC001308171190 1052424778 /nfs/dbraw/zinc/42/47/78/1052424778.db2.gz QRQPEKKAWPIMER-OYRHEFFESA-N 1 3 358.482 2.660 20 0 FFADHO CC(C)(C)[C@@]1(C[NH+]2CCC(CO)(CO)CC2)CCN(Cc2ccccc2)C1 ZINC001308931336 1052521074 /nfs/dbraw/zinc/52/10/74/1052521074.db2.gz QOXSGCBDLQTQOP-HSZRJFAPSA-N 1 3 374.569 2.992 20 0 FFADHO CC(C)(C)[C@@]1(CN2CCC(CO)(CO)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001308931336 1052521079 /nfs/dbraw/zinc/52/10/79/1052521079.db2.gz QOXSGCBDLQTQOP-HSZRJFAPSA-N 1 3 374.569 2.992 20 0 FFADHO CC(C)(C)[C@@]1(CN2CCC(CO)(CO)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308931336 1052521081 /nfs/dbraw/zinc/52/10/81/1052521081.db2.gz QOXSGCBDLQTQOP-HSZRJFAPSA-N 1 3 374.569 2.992 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001336210039 1053843987 /nfs/dbraw/zinc/84/39/87/1053843987.db2.gz CAPDMHIFPIZIMM-PBHICJAKSA-N 1 3 352.910 2.541 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001336270943 1053886365 /nfs/dbraw/zinc/88/63/65/1053886365.db2.gz GTMJVICJNLHRQI-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)C[C@H](C)O1 ZINC001336739738 1054183087 /nfs/dbraw/zinc/18/30/87/1054183087.db2.gz QORUGCZZFNDEHD-IYOUNJFTSA-N 1 3 358.885 2.992 20 0 FFADHO Cc1ccc([C@@H](O)C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001336803779 1054241272 /nfs/dbraw/zinc/24/12/72/1054241272.db2.gz JGTWBAZPSLNDEG-NRFANRHFSA-N 1 3 354.494 2.645 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)N(C)C)cc1 ZINC001336891737 1054319878 /nfs/dbraw/zinc/31/98/78/1054319878.db2.gz PJQVOEFFMUBPTP-TZIWHRDSSA-N 1 3 374.529 2.614 20 0 FFADHO CCNc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cn1 ZINC001349507576 1055304978 /nfs/dbraw/zinc/30/49/78/1055304978.db2.gz DOEPFQLWYAZUFO-UHFFFAOYSA-N 1 3 359.518 2.648 20 0 FFADHO CCOc1ccccc1[C@@H](N)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001357327847 1055867229 /nfs/dbraw/zinc/86/72/29/1055867229.db2.gz YZKPEJRBRUCKRC-OALUTQOASA-N 1 3 355.482 2.894 20 0 FFADHO Cc1cc(CN(C)C)cc(NC(=O)COc2ccc(CCC[NH3+])cc2)c1 ZINC001357526607 1055933838 /nfs/dbraw/zinc/93/38/38/1055933838.db2.gz UYWDOCDFSUTAJO-UHFFFAOYSA-N 1 3 355.482 2.965 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001351126650 1056098780 /nfs/dbraw/zinc/09/87/80/1056098780.db2.gz JBBHOMDVAIIJKA-HXUWFJFHSA-N 1 3 374.573 2.744 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCCC(C)(C)[NH3+])N(C)C)cc1 ZINC001353476022 1056437413 /nfs/dbraw/zinc/43/74/13/1056437413.db2.gz AOEXKKVONYZEBP-QGZVFWFLSA-N 1 3 350.507 2.503 20 0 FFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc3c2OCCNC3)C1 ZINC001353508122 1056473238 /nfs/dbraw/zinc/47/32/38/1056473238.db2.gz IQBHDJLPIIKNGN-LPHOPBHVSA-N 1 3 365.477 2.734 20 0 FFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc3c2OCCNC3)C1 ZINC001353508122 1056473243 /nfs/dbraw/zinc/47/32/43/1056473243.db2.gz IQBHDJLPIIKNGN-LPHOPBHVSA-N 1 3 365.477 2.734 20 0 FFADHO C[NH+](C)CCCOc1ccc(NC(=S)NCCN2CCCCC2)cc1 ZINC001200417163 1056643189 /nfs/dbraw/zinc/64/31/89/1056643189.db2.gz BDGSDHPPBGRAOO-UHFFFAOYSA-N 1 3 364.559 2.789 20 0 FFADHO S=C(NCC[NH+]1CCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001200419084 1056647766 /nfs/dbraw/zinc/64/77/66/1056647766.db2.gz QEJFILBPYSSUSS-UHFFFAOYSA-N 1 3 352.592 2.545 20 0 FFADHO S=C(NCCN1CCCCC1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001200428748 1056668199 /nfs/dbraw/zinc/66/81/99/1056668199.db2.gz QZRLEDAYNSZFPS-UXHICEINSA-N 1 3 372.582 2.553 20 0 FFADHO S=C(NCCN1CCCCC1)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001200428748 1056668209 /nfs/dbraw/zinc/66/82/09/1056668209.db2.gz QZRLEDAYNSZFPS-UXHICEINSA-N 1 3 372.582 2.553 20 0 FFADHO CN1CCC(N(C(=S)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC001200431775 1056676705 /nfs/dbraw/zinc/67/67/05/1056676705.db2.gz MMKHDCQAHLLWPK-UHFFFAOYSA-N 1 3 352.592 2.686 20 0 FFADHO C[NH+]1CCC(N(C(=S)NCCN2CCCCC2)C2CCCC2)CC1 ZINC001200431775 1056676709 /nfs/dbraw/zinc/67/67/09/1056676709.db2.gz MMKHDCQAHLLWPK-UHFFFAOYSA-N 1 3 352.592 2.686 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001300436024 1058315140 /nfs/dbraw/zinc/31/51/40/1058315140.db2.gz PBQLONRFRNITTF-PMACEKPBSA-N 1 3 358.530 2.530 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(NCc3coc(C)n3)CC2)CC[N@@H+]1C ZINC001502494456 1058861174 /nfs/dbraw/zinc/86/11/74/1058861174.db2.gz FWZRNLHVBPRJGC-ZWKOTPCHSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(NCc3coc(C)n3)CC2)CC[N@H+]1C ZINC001502494456 1058861194 /nfs/dbraw/zinc/86/11/94/1058861194.db2.gz FWZRNLHVBPRJGC-ZWKOTPCHSA-N 1 3 362.518 2.574 20 0 FFADHO CCN(C)[C@@H](C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC001454261468 1059474437 /nfs/dbraw/zinc/47/44/37/1059474437.db2.gz PHRPZASIRNWADN-NHCUHLMSSA-N 1 3 369.484 2.862 20 0 FFADHO CCN(C)[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC001454261462 1059474621 /nfs/dbraw/zinc/47/46/21/1059474621.db2.gz PHRPZASIRNWADN-LEWJYISDSA-N 1 3 369.484 2.862 20 0 FFADHO CN(C)C1(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CCCC1 ZINC001455225866 1059732330 /nfs/dbraw/zinc/73/23/30/1059732330.db2.gz XGTJWLUREMLDFV-LJQANCHMSA-N 1 3 356.514 2.784 20 0 FFADHO CN(C)C1(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CCCC1 ZINC001455225866 1059732345 /nfs/dbraw/zinc/73/23/45/1059732345.db2.gz XGTJWLUREMLDFV-LJQANCHMSA-N 1 3 356.514 2.784 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001355547560 1060349953 /nfs/dbraw/zinc/34/99/53/1060349953.db2.gz LLHXSHSNCZFYAL-UEXGIBASSA-N 1 3 357.498 2.623 20 0 FFADHO C[C@H]1C[C@H](NC(=O)c2ccc3c(c2)OCC[NH2+]C3)CN1Cc1ccccc1 ZINC001521496011 1060619337 /nfs/dbraw/zinc/61/93/37/1060619337.db2.gz ODVBJRVTQBFLKG-JXFKEZNVSA-N 1 3 365.477 2.561 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)CCCCC2CC[NH2+]CC2)c2ccccc2O1 ZINC001521494952 1060620073 /nfs/dbraw/zinc/62/00/73/1060620073.db2.gz BFARRZRGJDLUNE-SFHVURJKSA-N 1 3 359.514 2.902 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC001478178819 1061931316 /nfs/dbraw/zinc/93/13/16/1061931316.db2.gz UORLCFDRGCQRFS-QFBILLFUSA-N 1 3 360.546 2.980 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC001478178819 1061931338 /nfs/dbraw/zinc/93/13/38/1061931338.db2.gz UORLCFDRGCQRFS-QFBILLFUSA-N 1 3 360.546 2.980 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN1C ZINC001478285178 1061963106 /nfs/dbraw/zinc/96/31/06/1061963106.db2.gz UPKAVGGQCRZQDR-GHRYLNIYSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1C ZINC001478285178 1061963133 /nfs/dbraw/zinc/96/31/33/1061963133.db2.gz UPKAVGGQCRZQDR-GHRYLNIYSA-N 1 3 370.541 2.679 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001478395020 1062000775 /nfs/dbraw/zinc/00/07/75/1062000775.db2.gz UJLWXCJNPMUZIP-GGPKGHCWSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001478395020 1062000801 /nfs/dbraw/zinc/00/08/01/1062000801.db2.gz UJLWXCJNPMUZIP-GGPKGHCWSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001479140395 1062246914 /nfs/dbraw/zinc/24/69/14/1062246914.db2.gz UDINZNBWYBIQJA-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001479140395 1062246937 /nfs/dbraw/zinc/24/69/37/1062246937.db2.gz UDINZNBWYBIQJA-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001479490922 1062476207 /nfs/dbraw/zinc/47/62/07/1062476207.db2.gz OYLMTJKCDCHHQV-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001479490922 1062476212 /nfs/dbraw/zinc/47/62/12/1062476212.db2.gz OYLMTJKCDCHHQV-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001467686365 1063818322 /nfs/dbraw/zinc/81/83/22/1063818322.db2.gz DQLCYFUGNLHTGX-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001468602409 1064010756 /nfs/dbraw/zinc/01/07/56/1064010756.db2.gz YGGMISRVBVPSKJ-HXUWFJFHSA-N 1 3 374.573 2.744 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001468602409 1064010766 /nfs/dbraw/zinc/01/07/66/1064010766.db2.gz YGGMISRVBVPSKJ-HXUWFJFHSA-N 1 3 374.573 2.744 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001469710534 1064197279 /nfs/dbraw/zinc/19/72/79/1064197279.db2.gz ZPPYAHKALRMOPD-HBFSDRIKSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001469710534 1064197287 /nfs/dbraw/zinc/19/72/87/1064197287.db2.gz ZPPYAHKALRMOPD-HBFSDRIKSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1ccc(C2(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2)cc1 ZINC001470772920 1064446320 /nfs/dbraw/zinc/44/63/20/1064446320.db2.gz SPEFEIPYZRDXBE-SFHVURJKSA-N 1 3 360.546 2.945 20 0 FFADHO Cc1ccc(C2(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2)cc1 ZINC001470772920 1064446326 /nfs/dbraw/zinc/44/63/26/1064446326.db2.gz SPEFEIPYZRDXBE-SFHVURJKSA-N 1 3 360.546 2.945 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC001471399270 1064662791 /nfs/dbraw/zinc/66/27/91/1064662791.db2.gz ZMYJJNBPHWCEER-TZMRYXNNSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC001471399270 1064662793 /nfs/dbraw/zinc/66/27/93/1064662793.db2.gz ZMYJJNBPHWCEER-TZMRYXNNSA-N 1 3 370.541 2.679 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cnc2ccccn12 ZINC001474084315 1065453635 /nfs/dbraw/zinc/45/36/35/1065453635.db2.gz HUUQFOGVXPNVPG-LJQANCHMSA-N 1 3 350.466 2.581 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cnc2ccccn12 ZINC001474084315 1065453638 /nfs/dbraw/zinc/45/36/38/1065453638.db2.gz HUUQFOGVXPNVPG-LJQANCHMSA-N 1 3 350.466 2.581 20 0 FFADHO C[C@H]1NCCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC001576893441 1078284832 /nfs/dbraw/zinc/28/48/32/1078284832.db2.gz JWSLLRVYQKNXMC-QZTJIDSGSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@@H](C)c1nnc(N2CC[NH2+]CC2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001577032627 1078296800 /nfs/dbraw/zinc/29/68/00/1078296800.db2.gz SHNGSIRKHHKNBX-IAGOWNOFSA-N 1 3 372.517 2.631 20 0 FFADHO CCC[C@@H](C)CN(C)c1nnc([C@H]2CCC[NH2+]C2)n1CCN1CC=CCC1 ZINC001577340844 1078339876 /nfs/dbraw/zinc/33/98/76/1078339876.db2.gz LDLYKLCMLBGNKF-MOPGFXCFSA-N 1 3 374.577 2.879 20 0 FFADHO C[NH2+][C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCCC2)CC1 ZINC001578575697 1078492377 /nfs/dbraw/zinc/49/23/77/1078492377.db2.gz QCLMFVMBBRFKGG-HNNXBMFYSA-N 1 3 372.517 2.519 20 0 FFADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC001578789952 1078529478 /nfs/dbraw/zinc/52/94/78/1078529478.db2.gz QOAREGBMMVORBO-HFJXXIIPSA-N 1 3 360.473 2.696 20 0 FFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC001580185266 1078762041 /nfs/dbraw/zinc/76/20/41/1078762041.db2.gz VHILQDCPBHNOQV-NQIIRXRSSA-N 1 3 352.482 2.862 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)c2)nn1 ZINC001580349342 1078789932 /nfs/dbraw/zinc/78/99/32/1078789932.db2.gz UCIBHQLRQVBITQ-QGZVFWFLSA-N 1 3 355.486 2.698 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1C[NH2+]CCC12CCC2 ZINC001580703552 1078848801 /nfs/dbraw/zinc/84/88/01/1078848801.db2.gz SMGIKRAXPCDPCT-VQTJNVASSA-N 1 3 355.526 2.937 20 0 FFADHO [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)sc2C1 ZINC001549024898 1073597985 /nfs/dbraw/zinc/59/79/85/1073597985.db2.gz BAFDTHXRJNQGGN-JKSUJKDBSA-N 1 3 370.522 2.810 20 0 FFADHO Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001549373602 1073775848 /nfs/dbraw/zinc/77/58/48/1073775848.db2.gz RJPVTUYBOSCMPI-LEWJYISDSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001550059903 1074135532 /nfs/dbraw/zinc/13/55/32/1074135532.db2.gz IYTXPUAMRKCPNA-ROUUACIJSA-N 1 3 371.868 2.764 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC001550422550 1074260714 /nfs/dbraw/zinc/26/07/14/1074260714.db2.gz YPIHCYNSMRNRKE-ZMMAXQRCSA-N 1 3 372.431 2.996 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC001550422550 1074260716 /nfs/dbraw/zinc/26/07/16/1074260716.db2.gz YPIHCYNSMRNRKE-ZMMAXQRCSA-N 1 3 372.431 2.996 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc([C@@H]3CCCO3)s1)C2 ZINC001550422526 1074261088 /nfs/dbraw/zinc/26/10/88/1074261088.db2.gz XXYQUGXKTSILHW-WSRJKRBPSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc([C@@H]3CCCO3)s1)C2 ZINC001550422526 1074261092 /nfs/dbraw/zinc/26/10/92/1074261092.db2.gz XXYQUGXKTSILHW-WSRJKRBPSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001550423080 1074261604 /nfs/dbraw/zinc/26/16/04/1074261604.db2.gz HPILOBWOEPOWEL-TUFLPTIASA-N 1 3 372.488 2.581 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001550423080 1074261609 /nfs/dbraw/zinc/26/16/09/1074261609.db2.gz HPILOBWOEPOWEL-TUFLPTIASA-N 1 3 372.488 2.581 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551515292 1074743785 /nfs/dbraw/zinc/74/37/85/1074743785.db2.gz FOMSXTUPYKWGMI-UXHICEINSA-N 1 3 368.481 2.510 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3C[C@H]3Cc3ccccc3)CC2)CC1 ZINC001553092711 1075222199 /nfs/dbraw/zinc/22/21/99/1075222199.db2.gz LCTNMDMSTDAFAN-WOJBJXKFSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC001564009487 1076599475 /nfs/dbraw/zinc/59/94/75/1076599475.db2.gz DTPSKWAOIUDHDM-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC001565061851 1076682050 /nfs/dbraw/zinc/68/20/50/1076682050.db2.gz AZXYTZMZDPIUBV-RBUKOAKNSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)C2)cc1 ZINC001565061851 1076682056 /nfs/dbraw/zinc/68/20/56/1076682056.db2.gz AZXYTZMZDPIUBV-RBUKOAKNSA-N 1 3 358.530 2.741 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001565976971 1076822736 /nfs/dbraw/zinc/82/27/36/1076822736.db2.gz KRPUTOKDLQYHKD-CEXWTWQISA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cccc(F)c2Cl)CC[N@@H+]1C ZINC001569204399 1077133768 /nfs/dbraw/zinc/13/37/68/1077133768.db2.gz MHQVDHFQXYZEOW-UKRRQHHQSA-N 1 3 355.885 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cccc(F)c2Cl)CC[N@H+]1C ZINC001569204399 1077133775 /nfs/dbraw/zinc/13/37/75/1077133775.db2.gz MHQVDHFQXYZEOW-UKRRQHHQSA-N 1 3 355.885 2.757 20 0 FFADHO CCCNC(=O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411307028 512573207 /nfs/dbraw/zinc/57/32/07/512573207.db2.gz GRRRYZRXJSOOMU-HDICACEKSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H]1CCC[C@H]([NH+]2CCC3(CC2)NC(=N)Nc2nc4ccccc4n23)C1 ZINC000073002683 249790460 /nfs/dbraw/zinc/79/04/60/249790460.db2.gz WXNJKXAUOAECHY-GJZGRUSLSA-N 1 3 352.486 2.913 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000093135410 250017202 /nfs/dbraw/zinc/01/72/02/250017202.db2.gz CKDXBACDBVAHCR-GOSISDBHSA-N 1 3 373.545 2.718 20 0 FFADHO Cc1cc2ncc([C@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)c(C)n2n1 ZINC000093402767 250034107 /nfs/dbraw/zinc/03/41/07/250034107.db2.gz JZBQMKCMFRUMPE-ZACQAIPSSA-N 1 3 359.518 2.886 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000103512819 250158295 /nfs/dbraw/zinc/15/82/95/250158295.db2.gz DRDODUALTSPNAT-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000105209254 250203797 /nfs/dbraw/zinc/20/37/97/250203797.db2.gz FQZFXPLBOOXRDN-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000105208177 250204085 /nfs/dbraw/zinc/20/40/85/250204085.db2.gz AWABISDWJJNAAJ-QGZVFWFLSA-N 1 3 364.559 2.696 20 0 FFADHO CCC[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000131657669 251009765 /nfs/dbraw/zinc/00/97/65/251009765.db2.gz NSNDOSHUAJOWJQ-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000131976492 251035737 /nfs/dbraw/zinc/03/57/37/251035737.db2.gz NZHNVAVNBDKTFA-GOSISDBHSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000173540615 251202632 /nfs/dbraw/zinc/20/26/32/251202632.db2.gz VJNWBXSSOVDPCT-FXAWDEMLSA-N 1 3 358.530 2.907 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000251699795 251301025 /nfs/dbraw/zinc/30/10/25/251301025.db2.gz IZUHFCCEBTXCRE-PZJWPPBQSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)N1[C@H](C)CC[C@@H]1C ZINC000268770845 251379861 /nfs/dbraw/zinc/37/98/61/251379861.db2.gz BIRWBMSLLRNCAS-IXDOHACOSA-N 1 3 373.545 2.812 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000268791061 251386539 /nfs/dbraw/zinc/38/65/39/251386539.db2.gz GCZXVHXJLAPKSS-QUCCMNQESA-N 1 3 361.530 2.766 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000268791061 251386545 /nfs/dbraw/zinc/38/65/45/251386545.db2.gz GCZXVHXJLAPKSS-QUCCMNQESA-N 1 3 361.530 2.766 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272393541 252028357 /nfs/dbraw/zinc/02/83/57/252028357.db2.gz JEIPHHHXQMXNGM-FXAWDEMLSA-N 1 3 374.529 2.965 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000272593863 252075755 /nfs/dbraw/zinc/07/57/55/252075755.db2.gz OHHGUPZBJBVPHG-WLRLJWMZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000272593863 252075757 /nfs/dbraw/zinc/07/57/57/252075757.db2.gz OHHGUPZBJBVPHG-WLRLJWMZSA-N 1 3 370.541 2.775 20 0 FFADHO CCN(CC)[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000273223096 252256565 /nfs/dbraw/zinc/25/65/65/252256565.db2.gz NFVXOKKTKNCQFQ-HXUWFJFHSA-N 1 3 361.530 2.926 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)CC3CC[NH+](C)CC3)CC2)cc1 ZINC000273232915 252259815 /nfs/dbraw/zinc/25/98/15/252259815.db2.gz RVKVATLRYVNLHJ-UHFFFAOYSA-N 1 3 373.541 2.755 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000276272471 256085915 /nfs/dbraw/zinc/08/59/15/256085915.db2.gz SIGMPURQMJDIPR-QZTJIDSGSA-N 1 3 358.530 2.842 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000276272471 256085917 /nfs/dbraw/zinc/08/59/17/256085917.db2.gz SIGMPURQMJDIPR-QZTJIDSGSA-N 1 3 358.530 2.842 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1Br ZINC000277026375 256153322 /nfs/dbraw/zinc/15/33/22/256153322.db2.gz DSUSQFCGEOSDHY-XIRDDKMYSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1Br ZINC000277026375 256153324 /nfs/dbraw/zinc/15/33/24/256153324.db2.gz DSUSQFCGEOSDHY-XIRDDKMYSA-N 1 3 367.331 2.817 20 0 FFADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000276958230 256146692 /nfs/dbraw/zinc/14/66/92/256146692.db2.gz GBLUIALXJZSIAZ-QZTJIDSGSA-N 1 3 366.509 2.931 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000286647609 257047451 /nfs/dbraw/zinc/04/74/51/257047451.db2.gz BNSPFZUATUETER-NQIIRXRSSA-N 1 3 355.526 2.984 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000286961854 257064209 /nfs/dbraw/zinc/06/42/09/257064209.db2.gz NHTFGGCZOCHRJN-LJQANCHMSA-N 1 3 353.938 2.769 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000287768736 257110515 /nfs/dbraw/zinc/11/05/15/257110515.db2.gz RLAWWRXJCREAGW-AEFFLSMTSA-N 1 3 372.431 2.843 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288322258 257175431 /nfs/dbraw/zinc/17/54/31/257175431.db2.gz UYWXJAKXZRZYKI-UOILWBJISA-N 1 3 370.541 2.774 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288322258 257175434 /nfs/dbraw/zinc/17/54/34/257175434.db2.gz UYWXJAKXZRZYKI-UOILWBJISA-N 1 3 370.541 2.774 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CNCc3cnc([C@H](C)O)s3)cc2)CC1 ZINC000289338198 257275527 /nfs/dbraw/zinc/27/55/27/257275527.db2.gz VUJMZGKJPOVMMD-INIZCTEOSA-N 1 3 374.554 2.624 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(OC(F)F)c(F)c1 ZINC000289430426 257280816 /nfs/dbraw/zinc/28/08/16/257280816.db2.gz KPWKXTRGQRAVPK-UHFFFAOYSA-N 1 3 359.436 2.885 20 0 FFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289765796 257298007 /nfs/dbraw/zinc/29/80/07/257298007.db2.gz RCYYCJHPWMRGML-MOPGFXCFSA-N 1 3 356.466 2.814 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[NH2+][C@H]3C(C)C)c(C)c2)CC1 ZINC000289848729 257302795 /nfs/dbraw/zinc/30/27/95/257302795.db2.gz CATQHMLODYKREK-ICSRJNTNSA-N 1 3 358.530 2.710 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)C(C)(C)n3cncn3)CC2)cc1 ZINC000289902661 257305466 /nfs/dbraw/zinc/30/54/66/257305466.db2.gz UKAZZQIYKIYBPN-QGZVFWFLSA-N 1 3 371.529 2.912 20 0 FFADHO CC(C)n1cc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)nn1 ZINC000289535749 257286310 /nfs/dbraw/zinc/28/63/10/257286310.db2.gz CDWFIMVHYWMFDQ-UHFFFAOYSA-N 1 3 370.545 2.547 20 0 FFADHO C[NH+]1CCC(CCNCc2cn3ccc(Br)cc3n2)CC1 ZINC000289592125 257288776 /nfs/dbraw/zinc/28/87/76/257288776.db2.gz UEXQTXUJFFIVEV-UHFFFAOYSA-N 1 3 351.292 2.918 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)nc1 ZINC000290747833 257355616 /nfs/dbraw/zinc/35/56/16/257355616.db2.gz QNWIIZCFTMOERS-VBNZEHGJSA-N 1 3 368.319 2.873 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000298598098 257926513 /nfs/dbraw/zinc/92/65/13/257926513.db2.gz YVNHFIUVKSWTNP-HXUWFJFHSA-N 1 3 374.529 2.616 20 0 FFADHO COc1cccc2c(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)N5C)CC3)ccnc12 ZINC000302502051 258104262 /nfs/dbraw/zinc/10/42/62/258104262.db2.gz DALQKWVZLQIBEH-JWTNVVGKSA-N 1 3 366.509 2.991 20 0 FFADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000375328167 512270531 /nfs/dbraw/zinc/27/05/31/512270531.db2.gz SSUONAYGRSNJKH-FCHUYYIVSA-N 1 3 357.542 2.838 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000067391741 506860025 /nfs/dbraw/zinc/86/00/25/506860025.db2.gz AMJLNCJUJCMQAF-VQTJNVASSA-N 1 3 358.530 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000067391741 506860027 /nfs/dbraw/zinc/86/00/27/506860027.db2.gz AMJLNCJUJCMQAF-VQTJNVASSA-N 1 3 358.530 2.907 20 0 FFADHO CC[C@H](CNC(=O)NCCC[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000045121679 506921025 /nfs/dbraw/zinc/92/10/25/506921025.db2.gz BVPKUHKMNWNTPZ-HXUWFJFHSA-N 1 3 358.530 2.608 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000373393086 512308231 /nfs/dbraw/zinc/30/82/31/512308231.db2.gz ZUUAZNVVQVAZIJ-MHJFOBGBSA-N 1 3 358.530 2.914 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067679576 506973018 /nfs/dbraw/zinc/97/30/18/506973018.db2.gz DNQORMKWGJLLJM-SFTDATJTSA-N 1 3 372.557 2.930 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067679576 506973024 /nfs/dbraw/zinc/97/30/24/506973024.db2.gz DNQORMKWGJLLJM-SFTDATJTSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000067734541 506992699 /nfs/dbraw/zinc/99/26/99/506992699.db2.gz FLYOOSWGEJFXQQ-CTNGQTDRSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000067734541 506992703 /nfs/dbraw/zinc/99/27/03/506992703.db2.gz FLYOOSWGEJFXQQ-CTNGQTDRSA-N 1 3 372.557 2.930 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000047884762 507408349 /nfs/dbraw/zinc/40/83/49/507408349.db2.gz NZSLMLQSUKEYIE-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000377589609 512342025 /nfs/dbraw/zinc/34/20/25/512342025.db2.gz DAHGMVORZFZARV-ROUUACIJSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000377589609 512342029 /nfs/dbraw/zinc/34/20/29/512342029.db2.gz DAHGMVORZFZARV-ROUUACIJSA-N 1 3 359.489 2.638 20 0 FFADHO Cc1cc2ccccc2n1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050801010 507713261 /nfs/dbraw/zinc/71/32/61/507713261.db2.gz ROJPBKIQRWJORZ-UHFFFAOYSA-N 1 3 368.525 2.625 20 0 FFADHO CC(C)Oc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801825 507715871 /nfs/dbraw/zinc/71/58/71/507715871.db2.gz PJAGTDCKYBDWOO-UHFFFAOYSA-N 1 3 359.514 2.762 20 0 FFADHO CC(C)OCc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802647 507716215 /nfs/dbraw/zinc/71/62/15/507716215.db2.gz XENVQFUYOWCIME-UHFFFAOYSA-N 1 3 373.541 2.900 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)N2CCCCC2)cc1 ZINC000052498714 507810754 /nfs/dbraw/zinc/81/07/54/507810754.db2.gz KJNOJDOUCPSOSG-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)N2CCCCC2)cc1 ZINC000052498714 507810756 /nfs/dbraw/zinc/81/07/56/507810756.db2.gz KJNOJDOUCPSOSG-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@H](CC)N2CCc3ccccc3C2)CC1 ZINC000107327588 507844059 /nfs/dbraw/zinc/84/40/59/507844059.db2.gz VZMHNTFKNMWZIR-NRFANRHFSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000107696652 507863235 /nfs/dbraw/zinc/86/32/35/507863235.db2.gz CPPXKZSPLJKCBK-HDICACEKSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000107696652 507863238 /nfs/dbraw/zinc/86/32/38/507863238.db2.gz CPPXKZSPLJKCBK-HDICACEKSA-N 1 3 352.567 2.918 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000072930058 507874343 /nfs/dbraw/zinc/87/43/43/507874343.db2.gz KAHQBSQGPKLDFC-VQTJNVASSA-N 1 3 356.514 2.529 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000072930058 507874344 /nfs/dbraw/zinc/87/43/44/507874344.db2.gz KAHQBSQGPKLDFC-VQTJNVASSA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108500167 507899371 /nfs/dbraw/zinc/89/93/71/507899371.db2.gz ITAKFRPTLVZTKE-KRWDZBQOSA-N 1 3 362.518 2.871 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000090028348 507902963 /nfs/dbraw/zinc/90/29/63/507902963.db2.gz PBFPJKGVYNMJFB-UHFFFAOYSA-N 1 3 363.505 2.769 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108550875 507903541 /nfs/dbraw/zinc/90/35/41/507903541.db2.gz HGVXGKLFNZMKBR-HXUWFJFHSA-N 1 3 356.514 2.566 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000079198484 507942674 /nfs/dbraw/zinc/94/26/74/507942674.db2.gz PAKBWZLEESNGDD-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000079392605 507957708 /nfs/dbraw/zinc/95/77/08/507957708.db2.gz QHLLHKCZMDYSDU-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000079392605 507957709 /nfs/dbraw/zinc/95/77/09/507957709.db2.gz QHLLHKCZMDYSDU-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CC(C)(CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079458317 507964417 /nfs/dbraw/zinc/96/44/17/507964417.db2.gz ZRARPBODSOPAMO-QGZVFWFLSA-N 1 3 370.541 2.607 20 0 FFADHO CC(C)(CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079458317 507964419 /nfs/dbraw/zinc/96/44/19/507964419.db2.gz ZRARPBODSOPAMO-QGZVFWFLSA-N 1 3 370.541 2.607 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079504271 507969418 /nfs/dbraw/zinc/96/94/18/507969418.db2.gz ILZBTPKXSNUDRM-VAMGGRTRSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079504271 507969421 /nfs/dbraw/zinc/96/94/21/507969421.db2.gz ILZBTPKXSNUDRM-VAMGGRTRSA-N 1 3 356.514 2.577 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)CC1 ZINC000073988715 507974846 /nfs/dbraw/zinc/97/48/46/507974846.db2.gz AXWNFCDUPDHUDP-PZJWPPBQSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)cc2)CC1 ZINC000073988715 507974849 /nfs/dbraw/zinc/97/48/49/507974849.db2.gz AXWNFCDUPDHUDP-PZJWPPBQSA-N 1 3 370.541 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079625516 507984358 /nfs/dbraw/zinc/98/43/58/507984358.db2.gz CKDSDOMSVZDHBE-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079625516 507984359 /nfs/dbraw/zinc/98/43/59/507984359.db2.gz CKDSDOMSVZDHBE-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C[NH+]1CCCC1 ZINC000079789488 508001412 /nfs/dbraw/zinc/00/14/12/508001412.db2.gz MMRAWKNXSNAJDR-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000091729371 508005686 /nfs/dbraw/zinc/00/56/86/508005686.db2.gz UOKULLJHEIXVJR-UHFFFAOYSA-N 1 3 373.545 2.719 20 0 FFADHO c1ccc(N2CCOCC2)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066898 508038889 /nfs/dbraw/zinc/03/88/89/508038889.db2.gz BESAEFUSHNHVMO-KNQAVFIVSA-N 1 3 355.526 2.972 20 0 FFADHO c1ccc(N2CCOCC2)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066898 508038892 /nfs/dbraw/zinc/03/88/92/508038892.db2.gz BESAEFUSHNHVMO-KNQAVFIVSA-N 1 3 355.526 2.972 20 0 FFADHO CN(c1ccccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000371401972 512378488 /nfs/dbraw/zinc/37/84/88/512378488.db2.gz SZGVYWVDPQNDTK-SIKLNZKXSA-N 1 3 373.541 2.645 20 0 FFADHO Cc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000092426463 508070656 /nfs/dbraw/zinc/07/06/56/508070656.db2.gz OKNVUNKJUGFIEM-UHFFFAOYSA-N 1 3 351.560 2.973 20 0 FFADHO COc1ccc2ccccc2c1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000092615574 508087273 /nfs/dbraw/zinc/08/72/73/508087273.db2.gz GDPLRGPUGJKOPI-UHFFFAOYSA-N 1 3 369.509 2.738 20 0 FFADHO O[C@@H](C[NH2+][C@@H]1CCCc2ccc(Br)cc21)CN1CCCC1 ZINC000092740548 508098675 /nfs/dbraw/zinc/09/86/75/508098675.db2.gz HRYKWOFSVIUHDQ-DOTOQJQBSA-N 1 3 353.304 2.873 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000112432876 508185144 /nfs/dbraw/zinc/18/51/44/508185144.db2.gz MTXSSZCGSCPMSU-MRXNPFEDSA-N 1 3 352.548 2.916 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000112432876 508185147 /nfs/dbraw/zinc/18/51/47/508185147.db2.gz MTXSSZCGSCPMSU-MRXNPFEDSA-N 1 3 352.548 2.916 20 0 FFADHO CCOC[C@@H]1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081519078 508185146 /nfs/dbraw/zinc/18/51/46/508185146.db2.gz AIVUJFCYJJFVPU-AZUAARDMSA-N 1 3 373.541 2.514 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CCCN(C)C3)c2)CC1 ZINC000076555576 508223102 /nfs/dbraw/zinc/22/31/02/508223102.db2.gz ZUFKEWLWAPSHKU-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000076980812 508270492 /nfs/dbraw/zinc/27/04/92/508270492.db2.gz ATEIFNUYYQKUTJ-FQEVSTJZSA-N 1 3 358.530 2.764 20 0 FFADHO CN1CCC(O)(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000077450167 508317934 /nfs/dbraw/zinc/31/79/34/508317934.db2.gz JMQKMRHTGJMTLM-UHFFFAOYSA-N 1 3 357.281 2.816 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000103597092 508318376 /nfs/dbraw/zinc/31/83/76/508318376.db2.gz RSRUVMAVJWKIBS-KRWDZBQOSA-N 1 3 364.559 2.868 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000077581803 508337528 /nfs/dbraw/zinc/33/75/28/508337528.db2.gz IYQVOHFVUVXRMM-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000077581803 508337530 /nfs/dbraw/zinc/33/75/30/508337530.db2.gz IYQVOHFVUVXRMM-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+][C@H]3CCOC3)CC2)cc1 ZINC000088680439 508381002 /nfs/dbraw/zinc/38/10/02/508381002.db2.gz SQOMTWMYBXQAFK-NRFANRHFSA-N 1 3 351.494 2.887 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000106551007 508402322 /nfs/dbraw/zinc/40/23/22/508402322.db2.gz LMXIAVUIFZFYOA-HXUWFJFHSA-N 1 3 374.504 2.671 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000121750962 508410189 /nfs/dbraw/zinc/41/01/89/508410189.db2.gz FRHICWFXOQFSLS-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000121750962 508410194 /nfs/dbraw/zinc/41/01/94/508410194.db2.gz FRHICWFXOQFSLS-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CN1C1CC1 ZINC000127315284 508431395 /nfs/dbraw/zinc/43/13/95/508431395.db2.gz HACBSAFPAKCWJJ-LPHOPBHVSA-N 1 3 356.514 2.707 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000115781048 508435832 /nfs/dbraw/zinc/43/58/32/508435832.db2.gz LQARBACOEPRLQV-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000115781048 508435836 /nfs/dbraw/zinc/43/58/36/508435836.db2.gz LQARBACOEPRLQV-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)[NH+]1CCCC1 ZINC000115792890 508438078 /nfs/dbraw/zinc/43/80/78/508438078.db2.gz SRMRVNABHWWPQY-MJGOQNOKSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000133986515 508477687 /nfs/dbraw/zinc/47/76/87/508477687.db2.gz FFXCQTNLXQYSCW-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000133986515 508477692 /nfs/dbraw/zinc/47/76/92/508477692.db2.gz FFXCQTNLXQYSCW-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000116184471 508484620 /nfs/dbraw/zinc/48/46/20/508484620.db2.gz FJBUZFVPEYTTSN-MRXNPFEDSA-N 1 3 361.505 2.994 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000122132595 508486270 /nfs/dbraw/zinc/48/62/70/508486270.db2.gz MTBSZBIUCJEPHY-MSOLQXFVSA-N 1 3 352.544 2.951 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000122132595 508486274 /nfs/dbraw/zinc/48/62/74/508486274.db2.gz MTBSZBIUCJEPHY-MSOLQXFVSA-N 1 3 352.544 2.951 20 0 FFADHO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000134130972 508497417 /nfs/dbraw/zinc/49/74/17/508497417.db2.gz AWSKOJPOTCRSGK-QGZVFWFLSA-N 1 3 361.530 2.925 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000157231430 508540986 /nfs/dbraw/zinc/54/09/86/508540986.db2.gz NZDYVIPDFSSRSU-NVXWUHKLSA-N 1 3 357.420 2.541 20 0 FFADHO CC(C)COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000128087258 508545823 /nfs/dbraw/zinc/54/58/23/508545823.db2.gz VMBKYLSBWPVQEG-HKUYNNGSSA-N 1 3 361.530 2.959 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CCN(C)CC1 ZINC000134634976 508553665 /nfs/dbraw/zinc/55/36/65/508553665.db2.gz PXHUDJBMLNPOFT-XEWABKELSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CCN(C)CC1 ZINC000134634976 508553668 /nfs/dbraw/zinc/55/36/68/508553668.db2.gz PXHUDJBMLNPOFT-XEWABKELSA-N 1 3 358.530 2.536 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000128559776 508611640 /nfs/dbraw/zinc/61/16/40/508611640.db2.gz GXVPPPAWUPHGEJ-RTWAWAEBSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000128559776 508611642 /nfs/dbraw/zinc/61/16/42/508611642.db2.gz GXVPPPAWUPHGEJ-RTWAWAEBSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@H]1CN(CCN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCO1 ZINC000367254020 512408519 /nfs/dbraw/zinc/40/85/19/512408519.db2.gz VFZWUPLEWGQNHT-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1CN(CCN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000367254020 512408524 /nfs/dbraw/zinc/40/85/24/512408524.db2.gz VFZWUPLEWGQNHT-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1CN(CC[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCO1 ZINC000367254020 512408530 /nfs/dbraw/zinc/40/85/30/512408530.db2.gz VFZWUPLEWGQNHT-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1CN(CC[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCO1 ZINC000367254020 512408535 /nfs/dbraw/zinc/40/85/35/512408535.db2.gz VFZWUPLEWGQNHT-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO C[NH+](C)CCCC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000123469986 508691754 /nfs/dbraw/zinc/69/17/54/508691754.db2.gz HUGMWFMYFBXEEC-UHFFFAOYSA-N 1 3 357.498 2.727 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CCCN3C)cc2)CC1 ZINC000139530550 508790365 /nfs/dbraw/zinc/79/03/65/508790365.db2.gz WHMMGHJVUMTTNH-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CCCN1CCN(c2ccccc2CNc2ccn(CC[NH+](C)C)n2)CC1 ZINC000119745965 508854935 /nfs/dbraw/zinc/85/49/35/508854935.db2.gz MKQJYZCDYQWMEW-UHFFFAOYSA-N 1 3 370.545 2.589 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154871880 508873433 /nfs/dbraw/zinc/87/34/33/508873433.db2.gz IAUQZJZYEFHWMJ-LMMKCTJWSA-N 1 3 365.562 2.503 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000150812208 508898946 /nfs/dbraw/zinc/89/89/46/508898946.db2.gz OBBJGSYIMUZQGD-LJQANCHMSA-N 1 3 368.529 2.928 20 0 FFADHO c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@H](CN4CCCC4)C3)n2)cc1 ZINC000150812208 508898948 /nfs/dbraw/zinc/89/89/48/508898948.db2.gz OBBJGSYIMUZQGD-LJQANCHMSA-N 1 3 368.529 2.928 20 0 FFADHO c1ccc(-c2nnn(CCCCC[N@H+]3CC[C@H](CN4CCCC4)C3)n2)cc1 ZINC000150812208 508898951 /nfs/dbraw/zinc/89/89/51/508898951.db2.gz OBBJGSYIMUZQGD-LJQANCHMSA-N 1 3 368.529 2.928 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000131430970 508931062 /nfs/dbraw/zinc/93/10/62/508931062.db2.gz HNVKNYKQJAQWRI-QGZVFWFLSA-N 1 3 373.545 2.781 20 0 FFADHO CNC(=O)c1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000151023376 508941707 /nfs/dbraw/zinc/94/17/07/508941707.db2.gz MTZCKKSZPFQBPU-MRXNPFEDSA-N 1 3 355.482 2.837 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000120229516 508954076 /nfs/dbraw/zinc/95/40/76/508954076.db2.gz DPHIQVQXMJMXDZ-XLIONFOSSA-N 1 3 358.530 2.764 20 0 FFADHO CC(C)OCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000131630146 508955198 /nfs/dbraw/zinc/95/51/98/508955198.db2.gz WIFSHAODLKFRBM-UHFFFAOYSA-N 1 3 350.507 2.569 20 0 FFADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377752110 512432489 /nfs/dbraw/zinc/43/24/89/512432489.db2.gz RTIWCNZWAZKRFJ-ZWKOTPCHSA-N 1 3 356.514 2.767 20 0 FFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000155697425 509054244 /nfs/dbraw/zinc/05/42/44/509054244.db2.gz LKPSDZLXSPUTJJ-UGSOOPFHSA-N 1 3 350.482 2.668 20 0 FFADHO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132702127 509064461 /nfs/dbraw/zinc/06/44/61/509064461.db2.gz QUFXGGRHDNYWTK-JOCHJYFZSA-N 1 3 368.521 2.991 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000120937207 509092340 /nfs/dbraw/zinc/09/23/40/509092340.db2.gz NDNNLRDSDMMNNL-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000120937207 509092343 /nfs/dbraw/zinc/09/23/43/509092343.db2.gz NDNNLRDSDMMNNL-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO c1ccc(CC[NH+]2CCC(NCCc3nnc4n3CCCCC4)CC2)cc1 ZINC000126587395 509099182 /nfs/dbraw/zinc/09/91/82/509099182.db2.gz DFUUOMANHYFTQM-UHFFFAOYSA-N 1 3 367.541 2.844 20 0 FFADHO CC[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000126626765 509104705 /nfs/dbraw/zinc/10/47/05/509104705.db2.gz IIRXUBKEIVDRTR-SJLPKXTDSA-N 1 3 350.551 2.813 20 0 FFADHO CN(C)Cc1cccc(C(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000156018071 509110858 /nfs/dbraw/zinc/11/08/58/509110858.db2.gz IABJUPIKQFPABM-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO Cc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c(OCCN(C)C)c1 ZINC000156034967 509113940 /nfs/dbraw/zinc/11/39/40/509113940.db2.gz HQBUYKZGLIFVCB-UHFFFAOYSA-N 1 3 372.513 2.804 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000121042545 509116349 /nfs/dbraw/zinc/11/63/49/509116349.db2.gz NTGBFNOMVRSQJN-MRXNPFEDSA-N 1 3 366.525 2.875 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000182348022 509188074 /nfs/dbraw/zinc/18/80/74/509188074.db2.gz HYZJGTLVLMUHAG-QYZOEREBSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000182348022 509188078 /nfs/dbraw/zinc/18/80/78/509188078.db2.gz HYZJGTLVLMUHAG-QYZOEREBSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000182388724 509209424 /nfs/dbraw/zinc/20/94/24/509209424.db2.gz DVRCRMCPBNLZIP-OAQYLSRUSA-N 1 3 373.541 2.694 20 0 FFADHO CN1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)[C@H]1c1ccccc1 ZINC000248067082 509228385 /nfs/dbraw/zinc/22/83/85/509228385.db2.gz PVYCQTNISRAOEN-VQTJNVASSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccccc1 ZINC000179091078 509258564 /nfs/dbraw/zinc/25/85/64/509258564.db2.gz RKUGTJKWGFSQBT-SFTDATJTSA-N 1 3 366.509 2.993 20 0 FFADHO C[C@@H]1CCC[C@@H](C)C1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176020634 509277659 /nfs/dbraw/zinc/27/76/59/509277659.db2.gz GBJJHCDVIJRFLQ-HZPDHXFCSA-N 1 3 350.551 2.669 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccccc1 ZINC000179130627 509277727 /nfs/dbraw/zinc/27/77/27/509277727.db2.gz AFZGOPMRIWQHPD-RTBURBONSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000221566314 509309031 /nfs/dbraw/zinc/30/90/31/509309031.db2.gz JYZPVYOCBTUPEX-QRVBRYPASA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000221566314 509309038 /nfs/dbraw/zinc/30/90/38/509309038.db2.gz JYZPVYOCBTUPEX-QRVBRYPASA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]2CCCC[C@H]21 ZINC000248455902 509330262 /nfs/dbraw/zinc/33/02/62/509330262.db2.gz ZZFHQFDQAKXELZ-LSTHTHJFSA-N 1 3 362.562 2.765 20 0 FFADHO CCOC(=O)N1CC[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000185781915 509352847 /nfs/dbraw/zinc/35/28/47/509352847.db2.gz ZMJRRDUGCFFOIY-GOSISDBHSA-N 1 3 374.529 2.537 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000248573966 509372714 /nfs/dbraw/zinc/37/27/14/509372714.db2.gz UAORZEURKHIKID-LKUPVBHCSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000248573966 509372720 /nfs/dbraw/zinc/37/27/20/509372720.db2.gz UAORZEURKHIKID-LKUPVBHCSA-N 1 3 370.541 2.821 20 0 FFADHO COc1ccc([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000163499195 509384590 /nfs/dbraw/zinc/38/45/90/509384590.db2.gz ZMLPHZUYQIZKDR-ZJVRTDGDSA-N 1 3 371.525 2.869 20 0 FFADHO CC1(C)C[C@H](NCC2(C[NH2+][C@H]3CC(C)(C)OC3(C)C)COC2)C(C)(C)O1 ZINC000189237290 509477622 /nfs/dbraw/zinc/47/76/22/509477622.db2.gz BMCAMUHZNSDMTA-HOTGVXAUSA-N 1 3 368.562 2.874 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248790588 509485215 /nfs/dbraw/zinc/48/52/15/509485215.db2.gz ITQVAHHREUDHLL-PBASOCQRSA-N 1 3 370.541 2.775 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248790588 509485224 /nfs/dbraw/zinc/48/52/24/509485224.db2.gz ITQVAHHREUDHLL-PBASOCQRSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248794125 509486961 /nfs/dbraw/zinc/48/69/61/509486961.db2.gz JAFWJAAZWWUEIM-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248794125 509486970 /nfs/dbraw/zinc/48/69/70/509486970.db2.gz JAFWJAAZWWUEIM-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248794137 509487810 /nfs/dbraw/zinc/48/78/10/509487810.db2.gz JAFWJAAZWWUEIM-PBASOCQRSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248794137 509487814 /nfs/dbraw/zinc/48/78/14/509487814.db2.gz JAFWJAAZWWUEIM-PBASOCQRSA-N 1 3 370.541 2.633 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000176457935 509522218 /nfs/dbraw/zinc/52/22/18/509522218.db2.gz WAAQASJDEUSXIK-AABGKKOBSA-N 1 3 358.530 2.866 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000176457935 509522220 /nfs/dbraw/zinc/52/22/20/509522220.db2.gz WAAQASJDEUSXIK-AABGKKOBSA-N 1 3 358.530 2.866 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236963594 509542310 /nfs/dbraw/zinc/54/23/10/509542310.db2.gz UPSBPGFDARFUGG-SFTDATJTSA-N 1 3 351.494 2.510 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236963594 509542320 /nfs/dbraw/zinc/54/23/20/509542320.db2.gz UPSBPGFDARFUGG-SFTDATJTSA-N 1 3 351.494 2.510 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237103632 509571741 /nfs/dbraw/zinc/57/17/41/509571741.db2.gz AVNLXNXSNRAZTP-HXUWFJFHSA-N 1 3 355.482 2.723 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000173413812 509582763 /nfs/dbraw/zinc/58/27/63/509582763.db2.gz MRULTXPAQZBWJT-WOJBJXKFSA-N 1 3 356.514 2.725 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237192932 509590344 /nfs/dbraw/zinc/59/03/44/509590344.db2.gz SJTZSJWGOOFMHB-JOCHJYFZSA-N 1 3 365.521 2.927 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237192932 509590353 /nfs/dbraw/zinc/59/03/53/509590353.db2.gz SJTZSJWGOOFMHB-JOCHJYFZSA-N 1 3 365.521 2.927 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000166013091 509591958 /nfs/dbraw/zinc/59/19/58/509591958.db2.gz TVBLUJXLBXLCGB-GOEBONIOSA-N 1 3 365.909 2.928 20 0 FFADHO CN(C)CCOc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccn1 ZINC000183104653 509598899 /nfs/dbraw/zinc/59/88/99/509598899.db2.gz NCPMVXTWBYSIFV-UHFFFAOYSA-N 1 3 368.481 2.870 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000186268191 509613146 /nfs/dbraw/zinc/61/31/46/509613146.db2.gz MQJOCAFGTDAFHD-SFTDATJTSA-N 1 3 370.541 2.777 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000237325063 509623546 /nfs/dbraw/zinc/62/35/46/509623546.db2.gz PPDUSOMJCCLGJK-QFUCXCTJSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)CNC[C@@H]2CCCO2)CCCC1)c1ccccc1 ZINC000237401242 509638610 /nfs/dbraw/zinc/63/86/10/509638610.db2.gz PLVLXABVMIQEGJ-MJGOQNOKSA-N 1 3 359.514 2.535 20 0 FFADHO C[C@@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237412160 509642202 /nfs/dbraw/zinc/64/22/02/509642202.db2.gz KOLHTWIZEICZIA-ZWKOTPCHSA-N 1 3 367.603 2.880 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000237475621 509657904 /nfs/dbraw/zinc/65/79/04/509657904.db2.gz PGRAPKARTOHHTJ-VQIMIIECSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000237475621 509657910 /nfs/dbraw/zinc/65/79/10/509657910.db2.gz PGRAPKARTOHHTJ-VQIMIIECSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237481998 509658768 /nfs/dbraw/zinc/65/87/68/509658768.db2.gz IWCLUZVEVZRRHM-LAUBAEHRSA-N 1 3 351.494 2.898 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC2CCCCC2)[C@H](C)C1 ZINC000249431726 509679230 /nfs/dbraw/zinc/67/92/30/509679230.db2.gz JWAGGYGUPXWFOO-LMMKCTJWSA-N 1 3 353.551 2.550 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189817813 509769959 /nfs/dbraw/zinc/76/99/59/509769959.db2.gz WHHGFCSGCIXNAY-RBBKRZOGSA-N 1 3 357.542 2.887 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000251485821 509809410 /nfs/dbraw/zinc/80/94/10/509809410.db2.gz FEBSESNCPPOZDF-IFMALSPDSA-N 1 3 368.525 2.697 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000251485821 509809414 /nfs/dbraw/zinc/80/94/14/509809414.db2.gz FEBSESNCPPOZDF-IFMALSPDSA-N 1 3 368.525 2.697 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)N(C)C)cc1 ZINC000252652715 509855691 /nfs/dbraw/zinc/85/56/91/509855691.db2.gz FDTBBOJNKRNXHR-ACRUOGEOSA-N 1 3 372.557 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)N(C)C)cc1 ZINC000252652715 509855702 /nfs/dbraw/zinc/85/57/02/509855702.db2.gz FDTBBOJNKRNXHR-ACRUOGEOSA-N 1 3 372.557 2.977 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193311777 509861214 /nfs/dbraw/zinc/86/12/14/509861214.db2.gz LZWZHRXUHGNGSN-QFIPXVFZSA-N 1 3 366.505 2.911 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000183729730 509947937 /nfs/dbraw/zinc/94/79/37/509947937.db2.gz ZZFHQFDQAKXELZ-NSISKUIASA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000261607718 509997967 /nfs/dbraw/zinc/99/79/67/509997967.db2.gz AGXCQIOACAPWRB-QGPMSJSTSA-N 1 3 369.431 2.637 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)C2CCOCC2)CCCC1)c1ccccc1 ZINC000261770084 510058288 /nfs/dbraw/zinc/05/82/88/510058288.db2.gz MFVFZUXDKXGDRV-APWZRJJASA-N 1 3 359.514 2.520 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000193768840 510059997 /nfs/dbraw/zinc/05/99/97/510059997.db2.gz ONLFDWOVBWHWCO-UHFFFAOYSA-N 1 3 374.529 2.760 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261800295 510068118 /nfs/dbraw/zinc/06/81/18/510068118.db2.gz VUFKDGRLDBSEGJ-HYVNUMGLSA-N 1 3 369.431 2.957 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187123261 510072729 /nfs/dbraw/zinc/07/27/29/510072729.db2.gz QXUKHNXIBLNCGH-SFHVURJKSA-N 1 3 368.525 2.873 20 0 FFADHO COc1ccccc1-c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261830102 510082200 /nfs/dbraw/zinc/08/22/00/510082200.db2.gz AHHILVWNQVTHII-FQEVSTJZSA-N 1 3 351.494 2.842 20 0 FFADHO Cc1cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c2ccccc2n1 ZINC000261835617 510083246 /nfs/dbraw/zinc/08/32/46/510083246.db2.gz LDVOBRWQYHNQIU-UTKZUKDTSA-N 1 3 366.509 2.623 20 0 FFADHO COCCN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245697823 510091936 /nfs/dbraw/zinc/09/19/36/510091936.db2.gz LILGSTHTQAFIJA-LRSLUSHPSA-N 1 3 357.542 2.882 20 0 FFADHO COCCN1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245697823 510091942 /nfs/dbraw/zinc/09/19/42/510091942.db2.gz LILGSTHTQAFIJA-LRSLUSHPSA-N 1 3 357.542 2.882 20 0 FFADHO COCCN1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245697823 510091946 /nfs/dbraw/zinc/09/19/46/510091946.db2.gz LILGSTHTQAFIJA-LRSLUSHPSA-N 1 3 357.542 2.882 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000261873138 510096063 /nfs/dbraw/zinc/09/60/63/510096063.db2.gz YCRMXFMFRDPVSS-AZUAARDMSA-N 1 3 359.514 2.541 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177505272 510102695 /nfs/dbraw/zinc/10/26/95/510102695.db2.gz SLMXKKUPRRRTQU-LJQANCHMSA-N 1 3 350.551 2.957 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000187203278 510121837 /nfs/dbraw/zinc/12/18/37/510121837.db2.gz KVYNUXOBRACYJT-NRFANRHFSA-N 1 3 370.541 2.823 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000187203278 510121844 /nfs/dbraw/zinc/12/18/44/510121844.db2.gz KVYNUXOBRACYJT-NRFANRHFSA-N 1 3 370.541 2.823 20 0 FFADHO COc1ccc2cc(CN3CCCC[C@@H]3CNC(=O)CC[NH3+])ccc2c1 ZINC000261949833 510127283 /nfs/dbraw/zinc/12/72/83/510127283.db2.gz FTTXXIRDPMOULI-LJQANCHMSA-N 1 3 355.482 2.668 20 0 FFADHO CC(C)C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000174468300 510128836 /nfs/dbraw/zinc/12/88/36/510128836.db2.gz RJVVSSUVVHZHRC-KRWDZBQOSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CC(=O)N(C)C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000268919471 510138048 /nfs/dbraw/zinc/13/80/48/510138048.db2.gz JVHHKQFYVDBTCV-SFHVURJKSA-N 1 3 361.530 2.514 20 0 FFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(O)CCN(C(C)C)CC2)c(C)c1 ZINC000269011120 510191419 /nfs/dbraw/zinc/19/14/19/510191419.db2.gz MRFQDLHCCVOZAS-SFHVURJKSA-N 1 3 361.530 2.845 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000194106266 510218298 /nfs/dbraw/zinc/21/82/98/510218298.db2.gz OFJYMHJNYGWBHU-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000194106266 510218304 /nfs/dbraw/zinc/21/83/04/510218304.db2.gz OFJYMHJNYGWBHU-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000269067320 510219955 /nfs/dbraw/zinc/21/99/55/510219955.db2.gz LVXWZFBZEHUCQY-GDBMZVCRSA-N 1 3 354.491 2.720 20 0 FFADHO COc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1C ZINC000194323377 510311200 /nfs/dbraw/zinc/31/12/00/510311200.db2.gz BPWAGVMNNWQZKG-UHFFFAOYSA-N 1 3 355.482 2.585 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000187747667 510414020 /nfs/dbraw/zinc/41/40/20/510414020.db2.gz LXRAQRULGOGSEL-SFHVURJKSA-N 1 3 374.529 2.967 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262793345 510414207 /nfs/dbraw/zinc/41/42/07/510414207.db2.gz NEQMDLKTEBFESW-QGPMSJSTSA-N 1 3 369.431 2.555 20 0 FFADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1(C)C ZINC000262803176 510418590 /nfs/dbraw/zinc/41/85/90/510418590.db2.gz RPKQRFWSCTXZCR-FCEWJHQRSA-N 1 3 367.559 2.780 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246342191 510438705 /nfs/dbraw/zinc/43/87/05/510438705.db2.gz DYQCBCHTWGZACI-CEWLAPEOSA-N 1 3 370.541 2.948 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246342191 510438711 /nfs/dbraw/zinc/43/87/11/510438711.db2.gz DYQCBCHTWGZACI-CEWLAPEOSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246360223 510445905 /nfs/dbraw/zinc/44/59/05/510445905.db2.gz PWEWLNOGVLDJNS-YLJYHZDGSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000262881781 510456359 /nfs/dbraw/zinc/45/63/59/510456359.db2.gz NMLHKROMVWGBEI-QGPMSJSTSA-N 1 3 369.431 2.698 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246395833 510464572 /nfs/dbraw/zinc/46/45/72/510464572.db2.gz CTYGSOVFRPWOCB-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246395833 510464583 /nfs/dbraw/zinc/46/45/83/510464583.db2.gz CTYGSOVFRPWOCB-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000269718534 510524944 /nfs/dbraw/zinc/52/49/44/510524944.db2.gz SVXNBAMUFHPVKM-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000269718534 510524948 /nfs/dbraw/zinc/52/49/48/510524948.db2.gz SVXNBAMUFHPVKM-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000178353240 510561974 /nfs/dbraw/zinc/56/19/74/510561974.db2.gz LYEMODDCHOWYQR-DOMZBBRYSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000178353240 510561979 /nfs/dbraw/zinc/56/19/79/510561979.db2.gz LYEMODDCHOWYQR-DOMZBBRYSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000246571612 510563079 /nfs/dbraw/zinc/56/30/79/510563079.db2.gz ZKNQNKCWUMLZNL-ROUUACIJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000246571612 510563084 /nfs/dbraw/zinc/56/30/84/510563084.db2.gz ZKNQNKCWUMLZNL-ROUUACIJSA-N 1 3 358.530 2.775 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000246577548 510564959 /nfs/dbraw/zinc/56/49/59/510564959.db2.gz ZRBZGBWEUQGQJM-UYAOXDASSA-N 1 3 360.546 2.971 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000246577548 510564962 /nfs/dbraw/zinc/56/49/62/510564962.db2.gz ZRBZGBWEUQGQJM-UYAOXDASSA-N 1 3 360.546 2.971 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246611809 510581312 /nfs/dbraw/zinc/58/13/12/510581312.db2.gz BPSMNGIWNHYAMA-IZZBFERCSA-N 1 3 372.557 2.927 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246611809 510581317 /nfs/dbraw/zinc/58/13/17/510581317.db2.gz BPSMNGIWNHYAMA-IZZBFERCSA-N 1 3 372.557 2.927 20 0 FFADHO COC(=O)[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000188121432 510604284 /nfs/dbraw/zinc/60/42/84/510604284.db2.gz UZPHUJHHEPPSEP-XLIONFOSSA-N 1 3 373.541 2.848 20 0 FFADHO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000246730199 510639933 /nfs/dbraw/zinc/63/99/33/510639933.db2.gz MWFHJQZDYWMZTN-IRXDYDNUSA-N 1 3 362.518 2.882 20 0 FFADHO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000246730199 510639939 /nfs/dbraw/zinc/63/99/39/510639939.db2.gz MWFHJQZDYWMZTN-IRXDYDNUSA-N 1 3 362.518 2.882 20 0 FFADHO CSC[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000178565744 510664382 /nfs/dbraw/zinc/66/43/82/510664382.db2.gz SRYQWOXIOCVYJA-IBGZPJMESA-N 1 3 361.555 2.726 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175628233 510700207 /nfs/dbraw/zinc/70/02/07/510700207.db2.gz DKRNVTGBYSHTHW-NRSPTQNISA-N 1 3 368.525 2.695 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000175628233 510700215 /nfs/dbraw/zinc/70/02/15/510700215.db2.gz DKRNVTGBYSHTHW-NRSPTQNISA-N 1 3 368.525 2.695 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178688677 510723416 /nfs/dbraw/zinc/72/34/16/510723416.db2.gz MUEGHTPSHDZIBM-GIVPXCGWSA-N 1 3 355.526 2.730 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246881599 510724894 /nfs/dbraw/zinc/72/48/94/510724894.db2.gz IAUQZJZYEFHWMJ-ZHALLVOQSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246939203 510757166 /nfs/dbraw/zinc/75/71/66/510757166.db2.gz HNJNWLRSMDEXDJ-GKLJAUDBSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246939203 510757174 /nfs/dbraw/zinc/75/71/74/510757174.db2.gz HNJNWLRSMDEXDJ-GKLJAUDBSA-N 1 3 360.420 2.763 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)CC1 ZINC000175813525 510804153 /nfs/dbraw/zinc/80/41/53/510804153.db2.gz SXIZJSNTIBDESS-JTHBVZDNSA-N 1 3 367.537 2.565 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000172602378 510815613 /nfs/dbraw/zinc/81/56/13/510815613.db2.gz VMCZOQMNEUTMDM-RXVVDRJESA-N 1 3 372.557 2.629 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000172602378 510815623 /nfs/dbraw/zinc/81/56/23/510815623.db2.gz VMCZOQMNEUTMDM-RXVVDRJESA-N 1 3 372.557 2.629 20 0 FFADHO CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000247084127 510829102 /nfs/dbraw/zinc/82/91/02/510829102.db2.gz VZTOQVFRMXTTRY-PMACEKPBSA-N 1 3 371.525 2.906 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000247084127 510829106 /nfs/dbraw/zinc/82/91/06/510829106.db2.gz VZTOQVFRMXTTRY-PMACEKPBSA-N 1 3 371.525 2.906 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000247084127 510829110 /nfs/dbraw/zinc/82/91/10/510829110.db2.gz VZTOQVFRMXTTRY-PMACEKPBSA-N 1 3 371.525 2.906 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000247198075 510850819 /nfs/dbraw/zinc/85/08/19/510850819.db2.gz LQARBACOEPRLQV-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000247198075 510850822 /nfs/dbraw/zinc/85/08/22/510850822.db2.gz LQARBACOEPRLQV-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000247224493 510853213 /nfs/dbraw/zinc/85/32/13/510853213.db2.gz OKZCRCANTHEEIX-ROUUACIJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000247224493 510853214 /nfs/dbraw/zinc/85/32/14/510853214.db2.gz OKZCRCANTHEEIX-ROUUACIJSA-N 1 3 358.530 2.775 20 0 FFADHO c1cc(CNC2CCN(c3cc[nH+]cc3)CC2)c(OC[C@@H]2CCOC2)cn1 ZINC000297379243 510923736 /nfs/dbraw/zinc/92/37/36/510923736.db2.gz IJRCUJRCKFIXPE-QGZVFWFLSA-N 1 3 368.481 2.651 20 0 FFADHO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000285674779 511005876 /nfs/dbraw/zinc/00/58/76/511005876.db2.gz QBUTUQACGIGOTJ-ZBFHGGJFSA-N 1 3 374.554 2.850 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285674779 511005884 /nfs/dbraw/zinc/00/58/84/511005884.db2.gz QBUTUQACGIGOTJ-ZBFHGGJFSA-N 1 3 374.554 2.850 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285674779 511005888 /nfs/dbraw/zinc/00/58/88/511005888.db2.gz QBUTUQACGIGOTJ-ZBFHGGJFSA-N 1 3 374.554 2.850 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000285676753 511007238 /nfs/dbraw/zinc/00/72/38/511007238.db2.gz NROZOAKMOUJAQE-QGZVFWFLSA-N 1 3 363.546 2.560 20 0 FFADHO c1ccc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCOCC2)cc1 ZINC000294278836 511012764 /nfs/dbraw/zinc/01/27/64/511012764.db2.gz SOOJXGOGJDITCG-QFIPXVFZSA-N 1 3 366.509 2.714 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000364852026 511114790 /nfs/dbraw/zinc/11/47/90/511114790.db2.gz PUSQGEZZMZNYNG-OAQYLSRUSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000362097485 511130962 /nfs/dbraw/zinc/13/09/62/511130962.db2.gz IHWWRTPWKFDCLJ-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000362097485 511130965 /nfs/dbraw/zinc/13/09/65/511130965.db2.gz IHWWRTPWKFDCLJ-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)CC2)nc(C)n1 ZINC000333339985 511210399 /nfs/dbraw/zinc/21/03/99/511210399.db2.gz XVKSQRYAJMPAHJ-SLFFLAALSA-N 1 3 357.546 2.963 20 0 FFADHO CCN1CCCN(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000271573162 511249653 /nfs/dbraw/zinc/24/96/53/511249653.db2.gz TWQPOAMZWQFKEY-UHFFFAOYSA-N 1 3 362.518 2.967 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000298756650 511400481 /nfs/dbraw/zinc/40/04/81/511400481.db2.gz SRYIPYJCJVWRRA-OALUTQOASA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000298756650 511400485 /nfs/dbraw/zinc/40/04/85/511400485.db2.gz SRYIPYJCJVWRRA-OALUTQOASA-N 1 3 360.502 2.512 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292024374 511436156 /nfs/dbraw/zinc/43/61/56/511436156.db2.gz CRMLGDOYEHIQPA-SJORKVTESA-N 1 3 359.514 2.540 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC[C@@H]21 ZINC000284027669 511579377 /nfs/dbraw/zinc/57/93/77/511579377.db2.gz IDTUAKAHRSRQLW-FSSWDIPSSA-N 1 3 357.542 2.694 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC[C@@H]21 ZINC000284027669 511579380 /nfs/dbraw/zinc/57/93/80/511579380.db2.gz IDTUAKAHRSRQLW-FSSWDIPSSA-N 1 3 357.542 2.694 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000299399995 511622685 /nfs/dbraw/zinc/62/26/85/511622685.db2.gz SEGVIXBFHWKXPO-WMZOPIPTSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000299399995 511622688 /nfs/dbraw/zinc/62/26/88/511622688.db2.gz SEGVIXBFHWKXPO-WMZOPIPTSA-N 1 3 365.493 2.881 20 0 FFADHO COC[C@@H]1CCN(Cc2cc(C[N@@H+]3CC[C@H](COC)C3)cc(OC)c2)C1 ZINC000292700194 511689941 /nfs/dbraw/zinc/68/99/41/511689941.db2.gz SMLHGRYOASVDBZ-HDICACEKSA-N 1 3 362.514 2.632 20 0 FFADHO COC[C@@H]1CCN(Cc2cc(C[N@H+]3CC[C@H](COC)C3)cc(OC)c2)C1 ZINC000292700194 511689948 /nfs/dbraw/zinc/68/99/48/511689948.db2.gz SMLHGRYOASVDBZ-HDICACEKSA-N 1 3 362.514 2.632 20 0 FFADHO COC[C@@H]1CC[N@@H+](Cc2cc(CN3CC[C@H](COC)C3)cc(OC)c2)C1 ZINC000292700194 511689952 /nfs/dbraw/zinc/68/99/52/511689952.db2.gz SMLHGRYOASVDBZ-HDICACEKSA-N 1 3 362.514 2.632 20 0 FFADHO COC[C@@H]1CC[N@H+](Cc2cc(CN3CC[C@H](COC)C3)cc(OC)c2)C1 ZINC000292700194 511689957 /nfs/dbraw/zinc/68/99/57/511689957.db2.gz SMLHGRYOASVDBZ-HDICACEKSA-N 1 3 362.514 2.632 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000292831147 511737294 /nfs/dbraw/zinc/73/72/94/511737294.db2.gz UDISGCCEZFNUAO-OAQYLSRUSA-N 1 3 359.558 2.896 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296511376 511773906 /nfs/dbraw/zinc/77/39/06/511773906.db2.gz CLRQYZVPDNPITK-QGZVFWFLSA-N 1 3 358.530 2.823 20 0 FFADHO Fc1cncc([C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CC2)c1 ZINC000281380424 511826258 /nfs/dbraw/zinc/82/62/58/511826258.db2.gz XDQYLVZZOOYPKT-OAQYLSRUSA-N 1 3 369.488 2.869 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364082601 511948426 /nfs/dbraw/zinc/94/84/26/511948426.db2.gz FVQNKHDBVCGOER-MISYRCLQSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364082601 511948433 /nfs/dbraw/zinc/94/84/33/511948433.db2.gz FVQNKHDBVCGOER-MISYRCLQSA-N 1 3 359.489 2.781 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364311695 512081433 /nfs/dbraw/zinc/08/14/33/512081433.db2.gz CSOFRRSFVZIVDS-FBBABVLZSA-N 1 3 368.525 2.753 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCCC34CC[NH+](C)CC4)cc2)CC1 ZINC000367352219 512458608 /nfs/dbraw/zinc/45/86/08/512458608.db2.gz ZOCDEFNNWVVQRO-UHFFFAOYSA-N 1 3 370.541 2.529 20 0 FFADHO CN(C)[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000411146237 512489601 /nfs/dbraw/zinc/48/96/01/512489601.db2.gz NDDUBAIFDMDJTC-RTBURBONSA-N 1 3 361.555 2.623 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)N(C)C)cc1 ZINC000367467439 512514486 /nfs/dbraw/zinc/51/44/86/512514486.db2.gz ORHGKPPLFRFKEK-LJQANCHMSA-N 1 3 358.530 2.868 20 0 FFADHO C[C@@H](CN1CCOCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367677664 512611747 /nfs/dbraw/zinc/61/17/47/512611747.db2.gz FXCWALJWHPLDOA-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H](CN1CCOCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367677664 512611750 /nfs/dbraw/zinc/61/17/50/512611750.db2.gz FXCWALJWHPLDOA-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374163232 512685653 /nfs/dbraw/zinc/68/56/53/512685653.db2.gz OVPIMTMHGZTUGF-MRXNPFEDSA-N 1 3 361.555 2.829 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCC[C@H]2Oc2ccccc2C)CC1 ZINC000411564323 512691690 /nfs/dbraw/zinc/69/16/90/512691690.db2.gz SNTSMVJLSCXYMJ-TZIWHRDSSA-N 1 3 373.541 2.875 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000411766955 512801241 /nfs/dbraw/zinc/80/12/41/512801241.db2.gz LYFWZJWLXUIHHJ-UHFFFAOYSA-N 1 3 355.526 2.781 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000379680250 512870116 /nfs/dbraw/zinc/87/01/16/512870116.db2.gz LMFPNKDCSVZFNB-XLIONFOSSA-N 1 3 351.494 2.971 20 0 FFADHO CN(C(=O)[C@@H]1CNCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000380520530 512873326 /nfs/dbraw/zinc/87/33/26/512873326.db2.gz BLUADDUCHGEAJW-JOCHJYFZSA-N 1 3 363.505 2.996 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3CCC2CC3)[C@H]1c1cccs1 ZINC000376659492 512924806 /nfs/dbraw/zinc/92/48/06/512924806.db2.gz LONRDWJNBKQWMB-QAPCUYQASA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN3CCC2CC3)[C@H]1c1cccs1 ZINC000376659492 512924810 /nfs/dbraw/zinc/92/48/10/512924810.db2.gz LONRDWJNBKQWMB-QAPCUYQASA-N 1 3 362.543 2.621 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368390248 512925744 /nfs/dbraw/zinc/92/57/44/512925744.db2.gz OTPXPZMMNMJKFT-HKBOAZHASA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368390248 512925748 /nfs/dbraw/zinc/92/57/48/512925748.db2.gz OTPXPZMMNMJKFT-HKBOAZHASA-N 1 3 370.541 2.919 20 0 FFADHO CCn1nc(C)c(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1C ZINC000397595814 512947927 /nfs/dbraw/zinc/94/79/27/512947927.db2.gz PSTPKNGGYDTHEG-UHFFFAOYSA-N 1 3 356.514 2.637 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](CN)c1ccccc1 ZINC000398039489 512953386 /nfs/dbraw/zinc/95/33/86/512953386.db2.gz KLOHFAJABLNDCX-DUXKGJEZSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](CN)c1ccccc1 ZINC000398039489 512953390 /nfs/dbraw/zinc/95/33/90/512953390.db2.gz KLOHFAJABLNDCX-DUXKGJEZSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374834051 513028072 /nfs/dbraw/zinc/02/80/72/513028072.db2.gz HDFOCSMWELCTQR-TYPHKJRUSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374834051 513028077 /nfs/dbraw/zinc/02/80/77/513028077.db2.gz HDFOCSMWELCTQR-TYPHKJRUSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000370705536 513062238 /nfs/dbraw/zinc/06/22/38/513062238.db2.gz HIOMMWGDTBJVHR-FXAWDEMLSA-N 1 3 353.514 2.535 20 0 FFADHO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000370705536 513062243 /nfs/dbraw/zinc/06/22/43/513062243.db2.gz HIOMMWGDTBJVHR-FXAWDEMLSA-N 1 3 353.514 2.535 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705624 513063443 /nfs/dbraw/zinc/06/34/43/513063443.db2.gz HWXTWWLWSZIHEP-APWZRJJASA-N 1 3 367.484 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705624 513063445 /nfs/dbraw/zinc/06/34/45/513063445.db2.gz HWXTWWLWSZIHEP-APWZRJJASA-N 1 3 367.484 2.788 20 0 FFADHO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370709454 513064131 /nfs/dbraw/zinc/06/41/31/513064131.db2.gz JMSFOJWVJRKLQM-UZLBHIALSA-N 1 3 371.504 2.674 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370709454 513064135 /nfs/dbraw/zinc/06/41/35/513064135.db2.gz JMSFOJWVJRKLQM-UZLBHIALSA-N 1 3 371.504 2.674 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000417635223 513126974 /nfs/dbraw/zinc/12/69/74/513126974.db2.gz WGQIBLNFRCQHQH-DSLXNQLJSA-N 1 3 358.530 2.803 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000417654553 513140582 /nfs/dbraw/zinc/14/05/82/513140582.db2.gz RTOJWDDADUFDCD-OAQYLSRUSA-N 1 3 366.509 2.822 20 0 FFADHO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000439626231 513153893 /nfs/dbraw/zinc/15/38/93/513153893.db2.gz VZTYJAYFNVOPSG-LSTHTHJFSA-N 1 3 373.541 2.559 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000445974427 513156854 /nfs/dbraw/zinc/15/68/54/513156854.db2.gz LWXGKYKISHQWRX-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000417692907 513165499 /nfs/dbraw/zinc/16/54/99/513165499.db2.gz YVHVRIDJMDSZNT-NSISKUIASA-N 1 3 372.557 2.838 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417693283 513166813 /nfs/dbraw/zinc/16/68/13/513166813.db2.gz ZQGALXYOXKUCGK-VQTJNVASSA-N 1 3 372.557 2.853 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417729382 513184399 /nfs/dbraw/zinc/18/43/99/513184399.db2.gz CBEUWOKBNQFGAX-UXLLHSPISA-N 1 3 352.548 2.804 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417733471 513185545 /nfs/dbraw/zinc/18/55/45/513185545.db2.gz IVOACNXQYSUDPF-QSJFSLAZSA-N 1 3 350.532 2.523 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417733471 513185550 /nfs/dbraw/zinc/18/55/50/513185550.db2.gz IVOACNXQYSUDPF-QSJFSLAZSA-N 1 3 350.532 2.523 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000417743858 513191399 /nfs/dbraw/zinc/19/13/99/513191399.db2.gz XNXAVDHVCZOZJB-LZLYRXPVSA-N 1 3 364.559 2.772 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000433951417 513196196 /nfs/dbraw/zinc/19/61/96/513196196.db2.gz DBODNDZJWNEKFW-UYAOXDASSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000433951417 513196202 /nfs/dbraw/zinc/19/62/02/513196202.db2.gz DBODNDZJWNEKFW-UYAOXDASSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415313640 513199449 /nfs/dbraw/zinc/19/94/49/513199449.db2.gz VXOZWQJZLXEMEO-QGZVFWFLSA-N 1 3 360.502 2.815 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000417827639 513225131 /nfs/dbraw/zinc/22/51/31/513225131.db2.gz PTZKYWNBNUGHHK-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000417850951 513237497 /nfs/dbraw/zinc/23/74/97/513237497.db2.gz YDCUZOOHROPCGA-RSPOEFSDSA-N 1 3 358.530 2.856 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4ccc(C)cn34)CC2)CC1 ZINC000421377453 513242384 /nfs/dbraw/zinc/24/23/84/513242384.db2.gz RSTHZQRIIMBYFV-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4ccc(C)cn34)CC2)CC1 ZINC000421377453 513242389 /nfs/dbraw/zinc/24/23/89/513242389.db2.gz RSTHZQRIIMBYFV-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4ccc(C)cn34)CC2)CC1 ZINC000421377453 513242395 /nfs/dbraw/zinc/24/23/95/513242395.db2.gz RSTHZQRIIMBYFV-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000429109402 513279364 /nfs/dbraw/zinc/27/93/64/513279364.db2.gz KTRDLAMICKEETA-KRWDZBQOSA-N 1 3 362.518 2.823 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000429109402 513279369 /nfs/dbraw/zinc/27/93/69/513279369.db2.gz KTRDLAMICKEETA-KRWDZBQOSA-N 1 3 362.518 2.823 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000429106678 513279981 /nfs/dbraw/zinc/27/99/81/513279981.db2.gz ZTNRTKDHQQLYKH-FQEVSTJZSA-N 1 3 362.562 2.957 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417935474 513286984 /nfs/dbraw/zinc/28/69/84/513286984.db2.gz RDJFSOIEQHWLAH-OXQOHEQNSA-N 1 3 367.497 2.606 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000434338789 513292780 /nfs/dbraw/zinc/29/27/80/513292780.db2.gz PUNHAEPNTUDRAT-SQGPQFPESA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000434338789 513292786 /nfs/dbraw/zinc/29/27/86/513292786.db2.gz PUNHAEPNTUDRAT-SQGPQFPESA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000434338788 513293216 /nfs/dbraw/zinc/29/32/16/513293216.db2.gz PUNHAEPNTUDRAT-QKLQHJQFSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000434338788 513293217 /nfs/dbraw/zinc/29/32/17/513293217.db2.gz PUNHAEPNTUDRAT-QKLQHJQFSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000429159656 513294415 /nfs/dbraw/zinc/29/44/15/513294415.db2.gz GACDOJCHIAOELV-LAUBAEHRSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446622290 513298971 /nfs/dbraw/zinc/29/89/71/513298971.db2.gz ZXFJGGPEJPAYIU-UHFFFAOYSA-N 1 3 368.472 2.522 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418011684 513334565 /nfs/dbraw/zinc/33/45/65/513334565.db2.gz LDELJOVRGSRFNH-UIFIKXQLSA-N 1 3 370.541 2.538 20 0 FFADHO C[C@@]1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418049877 513353335 /nfs/dbraw/zinc/35/33/35/513353335.db2.gz ZDTRMZUFXQNLMJ-FPOVZHCZSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418132026 513384171 /nfs/dbraw/zinc/38/41/71/513384171.db2.gz DKMDRNSVQOWSTI-PWIZWCRZSA-N 1 3 358.530 2.808 20 0 FFADHO CCCc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c2ccccc2n1 ZINC000450894849 513390348 /nfs/dbraw/zinc/39/03/48/513390348.db2.gz WOFIRESCWAQVBG-SFHVURJKSA-N 1 3 366.509 2.978 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418154246 513395466 /nfs/dbraw/zinc/39/54/66/513395466.db2.gz JLNCVJZYKJQANT-ZCNNSNEGSA-N 1 3 370.541 2.538 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000425064007 513397977 /nfs/dbraw/zinc/39/79/77/513397977.db2.gz GZPHVRMTFNQMIS-VQTJNVASSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000418163542 513400087 /nfs/dbraw/zinc/40/00/87/513400087.db2.gz DOXOHPVBEYTNRC-SOLBZPMBSA-N 1 3 364.921 2.584 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418165607 513400598 /nfs/dbraw/zinc/40/05/98/513400598.db2.gz YKMGBBLDGYQCBM-WOJBJXKFSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418172601 513405018 /nfs/dbraw/zinc/40/50/18/513405018.db2.gz XCKPKWILPVYLQR-ZMSDIMECSA-N 1 3 350.507 2.786 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418185983 513411509 /nfs/dbraw/zinc/41/15/09/513411509.db2.gz BTJWVJSPQPPNDX-VDGAXYAQSA-N 1 3 360.546 2.867 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418185713 513411645 /nfs/dbraw/zinc/41/16/45/513411645.db2.gz RFNHMZWINFQNDU-KRWDZBQOSA-N 1 3 352.910 2.774 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000418189179 513413533 /nfs/dbraw/zinc/41/35/33/513413533.db2.gz VBYVUIMJBALDNM-DLBZAZTESA-N 1 3 352.910 2.759 20 0 FFADHO C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@H](c1ccccc1)N(C)C ZINC000418189225 513413731 /nfs/dbraw/zinc/41/37/31/513413731.db2.gz VDXSCQZHXFVIEC-FFZOFVMBSA-N 1 3 358.530 2.851 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000418195507 513415752 /nfs/dbraw/zinc/41/57/52/513415752.db2.gz QDIFRMJGXKXTKW-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418194981 513416123 /nfs/dbraw/zinc/41/61/23/513416123.db2.gz PKBIWYFZNJNNKD-ICSRJNTNSA-N 1 3 360.546 2.787 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000418209571 513422689 /nfs/dbraw/zinc/42/26/89/513422689.db2.gz ROPFWWQCZYNKQE-TVPLGVNVSA-N 1 3 362.518 2.646 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N(CC)CC)cc1 ZINC000418214016 513424354 /nfs/dbraw/zinc/42/43/54/513424354.db2.gz LLJSLQLIRBKTHY-ICSRJNTNSA-N 1 3 360.546 2.931 20 0 FFADHO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415801064 513427791 /nfs/dbraw/zinc/42/77/91/513427791.db2.gz FUCKBWCDQMNQGO-RYUDHWBXSA-N 1 3 354.882 2.670 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000418240517 513438098 /nfs/dbraw/zinc/43/80/98/513438098.db2.gz ZQOUKWHCWSTVKS-DOTOQJQBSA-N 1 3 352.548 2.828 20 0 FFADHO CC[NH+](CC)CCOC1CCN(CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000447311563 513445180 /nfs/dbraw/zinc/44/51/80/513445180.db2.gz HRKONJDCQCBXGL-UHFFFAOYSA-N 1 3 362.518 2.541 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418337815 513471146 /nfs/dbraw/zinc/47/11/46/513471146.db2.gz BXYWZZCQOBAECW-RHSMWYFYSA-N 1 3 352.910 2.632 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000415910139 513473501 /nfs/dbraw/zinc/47/35/01/513473501.db2.gz HHGPOPAXSPJGAP-UHFFFAOYSA-N 1 3 370.497 2.711 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000415930593 513484985 /nfs/dbraw/zinc/48/49/85/513484985.db2.gz APDKWSOQMAVJGE-IBGZPJMESA-N 1 3 368.481 2.810 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944168 513491342 /nfs/dbraw/zinc/49/13/42/513491342.db2.gz HSZKWSAKJQIEOV-UHFFFAOYSA-N 1 3 362.499 2.681 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418390774 513492723 /nfs/dbraw/zinc/49/27/23/513492723.db2.gz UAPPHEAYFOENRS-PZJWPPBQSA-N 1 3 358.530 2.667 20 0 FFADHO C[NH2+]C[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418398354 513494296 /nfs/dbraw/zinc/49/42/96/513494296.db2.gz WJMVLSIYOIJHJI-AWEZNQCLSA-N 1 3 374.451 2.634 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418399188 513496021 /nfs/dbraw/zinc/49/60/21/513496021.db2.gz DKBIVZTVBRBSQH-AEFFLSMTSA-N 1 3 366.937 2.931 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000415982864 513516738 /nfs/dbraw/zinc/51/67/38/513516738.db2.gz MDTAOQSGIKZPDG-IBGZPJMESA-N 1 3 356.470 2.839 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000418456369 513518393 /nfs/dbraw/zinc/51/83/93/513518393.db2.gz FTIMLMJHDOLNGB-QGZVFWFLSA-N 1 3 354.498 2.980 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)o1 ZINC000418457120 513519939 /nfs/dbraw/zinc/51/99/39/513519939.db2.gz GNGNKCUDRBIFHG-MRXNPFEDSA-N 1 3 358.486 2.881 20 0 FFADHO CN(c1ccccc1CN1CCC[C@H](n2ccnn2)C1)C1CC[NH+](C)CC1 ZINC000425344233 513520760 /nfs/dbraw/zinc/52/07/60/513520760.db2.gz CALXYPWHVQJOHD-FQEVSTJZSA-N 1 3 368.529 2.646 20 0 FFADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NCC1C[NH2+]C1 ZINC000418480604 513526857 /nfs/dbraw/zinc/52/68/57/513526857.db2.gz BSYWQIFUHNTFNJ-NRFANRHFSA-N 1 3 372.557 2.581 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418477268 513526996 /nfs/dbraw/zinc/52/69/96/513526996.db2.gz XRWJJFLLVJGZHJ-KRWDZBQOSA-N 1 3 354.926 2.931 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418540466 513548475 /nfs/dbraw/zinc/54/84/75/513548475.db2.gz MODYZWFOVSENBK-NRFANRHFSA-N 1 3 360.546 2.582 20 0 FFADHO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC000413265803 513556411 /nfs/dbraw/zinc/55/64/11/513556411.db2.gz NUKBRZVVBCFONS-INIZCTEOSA-N 1 3 359.436 2.936 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418578527 513565374 /nfs/dbraw/zinc/56/53/74/513565374.db2.gz QAYPAFONRKRCJJ-JYBIWHBTSA-N 1 3 358.530 2.679 20 0 FFADHO [NH3+]CCCOC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000435373898 513569493 /nfs/dbraw/zinc/56/94/93/513569493.db2.gz GMALBCKFJZPEDM-UHFFFAOYSA-N 1 3 355.482 2.990 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418612486 513578010 /nfs/dbraw/zinc/57/80/10/513578010.db2.gz HVPXVQZTANTMAC-UZKOGDIHSA-N 1 3 370.541 2.682 20 0 FFADHO CCN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418623613 513581559 /nfs/dbraw/zinc/58/15/59/513581559.db2.gz OKNCJDLCZZLRSV-UXHICEINSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418634484 513584964 /nfs/dbraw/zinc/58/49/64/513584964.db2.gz FMICOEUIWLUQBG-GOSISDBHSA-N 1 3 364.509 2.677 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418648279 513592129 /nfs/dbraw/zinc/59/21/29/513592129.db2.gz ZCSJWEPBWIZVPB-FQEVSTJZSA-N 1 3 358.530 2.637 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418654672 513596452 /nfs/dbraw/zinc/59/64/52/513596452.db2.gz BCSOFPUECHANJC-LJQANCHMSA-N 1 3 358.486 2.833 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000418657782 513597730 /nfs/dbraw/zinc/59/77/30/513597730.db2.gz UXNYGMVVHVYJLQ-XLIONFOSSA-N 1 3 358.530 2.622 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000418657782 513597740 /nfs/dbraw/zinc/59/77/40/513597740.db2.gz UXNYGMVVHVYJLQ-XLIONFOSSA-N 1 3 358.530 2.622 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418678279 513608281 /nfs/dbraw/zinc/60/82/81/513608281.db2.gz ADXNJONTCGSTJY-AWEZNQCLSA-N 1 3 374.451 2.906 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418687251 513612237 /nfs/dbraw/zinc/61/22/37/513612237.db2.gz QWJZCVJQGOXWDF-RBUKOAKNSA-N 1 3 372.538 2.577 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000418718675 513622779 /nfs/dbraw/zinc/62/27/79/513622779.db2.gz DOVDDEBNDOFAGL-MISYRCLQSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)CCN3CCc4ccccc4C3)C2)CC1 ZINC000416183268 513629950 /nfs/dbraw/zinc/62/99/50/513629950.db2.gz XTOPHPZZXPPOHZ-OAQYLSRUSA-N 1 3 355.526 2.625 20 0 FFADHO CN(CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623892 513640761 /nfs/dbraw/zinc/64/07/61/513640761.db2.gz HVPRDIUMFJVFDJ-OAHLLOKOSA-N 1 3 354.292 2.852 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425646804 513677755 /nfs/dbraw/zinc/67/77/55/513677755.db2.gz GCBWHEZNNIYPMK-PZJWPPBQSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425646804 513677763 /nfs/dbraw/zinc/67/77/63/513677763.db2.gz GCBWHEZNNIYPMK-PZJWPPBQSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425646804 513677770 /nfs/dbraw/zinc/67/77/70/513677770.db2.gz GCBWHEZNNIYPMK-PZJWPPBQSA-N 1 3 370.541 2.695 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1cccc(OC)c1 ZINC000435889806 513708295 /nfs/dbraw/zinc/70/82/95/513708295.db2.gz QEXIJYHCBGDFQS-SLYNCCJLSA-N 1 3 359.514 2.584 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000448221202 513712039 /nfs/dbraw/zinc/71/20/39/513712039.db2.gz WXGVIZKSWASVCV-CEXWTWQISA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000448221202 513712047 /nfs/dbraw/zinc/71/20/47/513712047.db2.gz WXGVIZKSWASVCV-CEXWTWQISA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000448221204 513712186 /nfs/dbraw/zinc/71/21/86/513712186.db2.gz WXGVIZKSWASVCV-GUDVDZBRSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000448221204 513712193 /nfs/dbraw/zinc/71/21/93/513712193.db2.gz WXGVIZKSWASVCV-GUDVDZBRSA-N 1 3 352.567 2.774 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)CN3CCC([C@@H](C)[NH3+])CC3)ccc2c1 ZINC000430918670 513781877 /nfs/dbraw/zinc/78/18/77/513781877.db2.gz NSPWQWNEZBKUKC-MRXNPFEDSA-N 1 3 369.509 2.866 20 0 FFADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430953678 513792479 /nfs/dbraw/zinc/79/24/79/513792479.db2.gz UPADXPNCYHOPIA-OXQOHEQNSA-N 1 3 359.514 2.808 20 0 FFADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000451529242 513811417 /nfs/dbraw/zinc/81/14/17/513811417.db2.gz NAOIJGDCIMUIIA-ILWGZMRPSA-N 1 3 355.526 2.809 20 0 FFADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000451529242 513811423 /nfs/dbraw/zinc/81/14/23/513811423.db2.gz NAOIJGDCIMUIIA-ILWGZMRPSA-N 1 3 355.526 2.809 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000431039246 513811955 /nfs/dbraw/zinc/81/19/55/513811955.db2.gz WGJJBZRCAUTIND-YLJYHZDGSA-N 1 3 361.530 2.672 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000436287720 513817389 /nfs/dbraw/zinc/81/73/89/513817389.db2.gz JVJUIHOWWVZECD-JYSRZZCRSA-N 1 3 367.493 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000436287720 513817395 /nfs/dbraw/zinc/81/73/95/513817395.db2.gz JVJUIHOWWVZECD-JYSRZZCRSA-N 1 3 367.493 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000436287720 513817398 /nfs/dbraw/zinc/81/73/98/513817398.db2.gz JVJUIHOWWVZECD-JYSRZZCRSA-N 1 3 367.493 2.810 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1Cl ZINC000436314580 513823484 /nfs/dbraw/zinc/82/34/84/513823484.db2.gz YQIHOEYSQAOARH-FZKQIMNGSA-N 1 3 351.878 2.609 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000443056124 513855905 /nfs/dbraw/zinc/85/59/05/513855905.db2.gz CBFHYAFTPSDVQE-PBHICJAKSA-N 1 3 367.440 2.844 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC(C)(C)CC[NH3+])c2cccs2)CC1 ZINC000422590823 513860380 /nfs/dbraw/zinc/86/03/80/513860380.db2.gz LLDWEZQOJUXJID-OAHLLOKOSA-N 1 3 352.548 2.948 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000431327664 513874599 /nfs/dbraw/zinc/87/45/99/513874599.db2.gz IUPHZPJXRCGPIA-HSALFYBXSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000431327664 513874606 /nfs/dbraw/zinc/87/46/06/513874606.db2.gz IUPHZPJXRCGPIA-HSALFYBXSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422712007 513908470 /nfs/dbraw/zinc/90/84/70/513908470.db2.gz NPWANLNFPREZSJ-PMOQBDJRSA-N 1 3 367.537 2.916 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422725789 513915046 /nfs/dbraw/zinc/91/50/46/513915046.db2.gz CIPOKEUIRZSZIT-XDKFSHSGSA-N 1 3 371.447 2.622 20 0 FFADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422765140 513926067 /nfs/dbraw/zinc/92/60/67/513926067.db2.gz KMNZOVDBJVVDAR-RBUKOAKNSA-N 1 3 365.543 2.611 20 0 FFADHO CC[C@H]([NH2+]CCN1CCc2cc(OC)c(OC)cc2C1)[C@H]1CCCCN1 ZINC000422769897 513927637 /nfs/dbraw/zinc/92/76/37/513927637.db2.gz UJJDPBGMUKLTTK-RBUKOAKNSA-N 1 3 361.530 2.572 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)Oc1cccc(Br)c1 ZINC000422800020 513936000 /nfs/dbraw/zinc/93/60/00/513936000.db2.gz ZDIBZJIUAKNCCL-AVRGHOLYSA-N 1 3 357.292 2.558 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832226 513945093 /nfs/dbraw/zinc/94/50/93/513945093.db2.gz KVNOXAFDIYVKPB-RHSMWYFYSA-N 1 3 366.431 3.451 20 0 FFADHO C[C@H](NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422841218 513949365 /nfs/dbraw/zinc/94/93/65/513949365.db2.gz CQHRHZZRXKCDCY-IBGZPJMESA-N 1 3 364.537 2.706 20 0 FFADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422855208 513952943 /nfs/dbraw/zinc/95/29/43/513952943.db2.gz DSPKDRATXATSMG-RYFAJOAYSA-N 1 3 356.558 2.707 20 0 FFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422856298 513953342 /nfs/dbraw/zinc/95/33/42/513953342.db2.gz WTCXPCSZDCWKRO-SZMVWBNQSA-N 1 3 371.447 2.796 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000422862030 513954451 /nfs/dbraw/zinc/95/44/51/513954451.db2.gz NEKXPHBQKDJCJS-HRAATJIYSA-N 1 3 369.484 2.978 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422857992 513955129 /nfs/dbraw/zinc/95/51/29/513955129.db2.gz ZCTYZDSKXGVGEZ-ZQIUZPCESA-N 1 3 359.436 2.794 20 0 FFADHO CN(CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)(F)F ZINC000422868815 513958597 /nfs/dbraw/zinc/95/85/97/513958597.db2.gz WEGADEQNZDNIPU-WBVHZDCISA-N 1 3 357.420 2.716 20 0 FFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422876903 513958888 /nfs/dbraw/zinc/95/88/88/513958888.db2.gz GRJFYKKRYZYETP-BBRMVZONSA-N 1 3 368.319 2.547 20 0 FFADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422877409 513960913 /nfs/dbraw/zinc/96/09/13/513960913.db2.gz RIVKHVVBXLLAKK-JSXRDJHFSA-N 1 3 355.526 2.730 20 0 FFADHO COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422883089 513963180 /nfs/dbraw/zinc/96/31/80/513963180.db2.gz UMCHMUOSXPGNBW-HRCADAONSA-N 1 3 370.440 2.586 20 0 FFADHO COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422883088 513963272 /nfs/dbraw/zinc/96/32/72/513963272.db2.gz UMCHMUOSXPGNBW-BZUAXINKSA-N 1 3 370.440 2.586 20 0 FFADHO COc1cc(OC)c(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c(OC)c1 ZINC000422891021 513965775 /nfs/dbraw/zinc/96/57/75/513965775.db2.gz UKDMAKSUEVWHIP-ZDUSSCGKSA-N 1 3 359.470 2.768 20 0 FFADHO FC(F)(F)Oc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422890509 513966388 /nfs/dbraw/zinc/96/63/88/513966388.db2.gz IJVDBWOEISDMPF-YESZJQIVSA-N 1 3 358.404 2.874 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901400 513969533 /nfs/dbraw/zinc/96/95/33/513969533.db2.gz BYIFBQKTMLTLCV-LZLXCTOHSA-N 1 3 369.912 2.785 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901400 513969538 /nfs/dbraw/zinc/96/95/38/513969538.db2.gz BYIFBQKTMLTLCV-LZLXCTOHSA-N 1 3 369.912 2.785 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000416797744 513971576 /nfs/dbraw/zinc/97/15/76/513971576.db2.gz YXGNFVRBRIEGFC-PMACEKPBSA-N 1 3 370.541 2.682 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000416830861 513988639 /nfs/dbraw/zinc/98/86/39/513988639.db2.gz UUIUDQNCKBZJNZ-IEBWSBKVSA-N 1 3 362.518 2.505 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416836217 513992060 /nfs/dbraw/zinc/99/20/60/513992060.db2.gz ZKLCORNNAWXFAX-KPFFTGBYSA-N 1 3 374.529 2.519 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCOc3c(F)cccc32)CC[NH2+]CC1 ZINC000422959882 513992325 /nfs/dbraw/zinc/99/23/25/513992325.db2.gz AGHHUFVAQGASDH-XJKSGUPXSA-N 1 3 350.434 2.560 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N2CCCC2)cc1 ZINC000416835164 513992569 /nfs/dbraw/zinc/99/25/69/513992569.db2.gz ZAZCCCARBNMNMC-IBGZPJMESA-N 1 3 374.529 2.521 20 0 FFADHO O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N(Cc2ccccc2)C1 ZINC000422968608 513995830 /nfs/dbraw/zinc/99/58/30/513995830.db2.gz XGYOTLWTHRQMFQ-LXHROKJGSA-N 1 3 357.542 2.522 20 0 FFADHO [NH3+][C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000416841354 513995842 /nfs/dbraw/zinc/99/58/42/513995842.db2.gz LTNGFZYNSSISDY-DLBZAZTESA-N 1 3 358.511 2.884 20 0 FFADHO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179855 514000111 /nfs/dbraw/zinc/00/01/11/514000111.db2.gz APFOKNCSOWXMOM-WOJBJXKFSA-N 1 3 351.579 2.978 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000416850509 514001236 /nfs/dbraw/zinc/00/12/36/514001236.db2.gz ZRVCMAUDXHYAMG-JIRNRHONSA-N 1 3 358.530 2.776 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414194101 514006488 /nfs/dbraw/zinc/00/64/88/514006488.db2.gz NFVKNPYDHOKZOU-VXKWHMMOSA-N 1 3 371.569 2.883 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)cc1 ZINC000414200348 514008834 /nfs/dbraw/zinc/00/88/34/514008834.db2.gz RTVUONZZOYGAHH-INIZCTEOSA-N 1 3 351.922 2.787 20 0 FFADHO Fc1cc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423029741 514012242 /nfs/dbraw/zinc/01/22/42/514012242.db2.gz VIEUKFDYIRDZJN-KNEBKQPDSA-N 1 3 367.896 2.805 20 0 FFADHO CN(CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416867161 514012812 /nfs/dbraw/zinc/01/28/12/514012812.db2.gz CDTMHQZHFHVYKB-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000416902662 514035175 /nfs/dbraw/zinc/03/51/75/514035175.db2.gz BONFIAJCKMNBNF-WSTZPKSXSA-N 1 3 374.529 2.614 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000416903249 514035951 /nfs/dbraw/zinc/03/59/51/514035951.db2.gz MWZQMFNKUXAKRT-SFHVURJKSA-N 1 3 358.530 2.814 20 0 FFADHO CCCCNC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426777387 514039961 /nfs/dbraw/zinc/03/99/61/514039961.db2.gz MXTHBSRTJBWRFD-HDICACEKSA-N 1 3 353.551 2.504 20 0 FFADHO CCOC(=O)CCCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426804403 514046298 /nfs/dbraw/zinc/04/62/98/514046298.db2.gz UDTHDDUVRARBJQ-ROUUACIJSA-N 1 3 354.535 2.931 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)[C@@H]3CCCCN3)CC2)cc1 ZINC000423147036 514059424 /nfs/dbraw/zinc/05/94/24/514059424.db2.gz BUHNYCPZYUDZRY-IERDGZPVSA-N 1 3 358.530 2.730 20 0 FFADHO CN(Cc1ccccc1)C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423155586 514063668 /nfs/dbraw/zinc/06/36/68/514063668.db2.gz QUWIZSJFYYKJJS-QHAWAJNXSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000420277446 514068430 /nfs/dbraw/zinc/06/84/30/514068430.db2.gz UAMJKCWBSDOGAK-SWLSCSKDSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000420277446 514068439 /nfs/dbraw/zinc/06/84/39/514068439.db2.gz UAMJKCWBSDOGAK-SWLSCSKDSA-N 1 3 354.292 2.979 20 0 FFADHO Brc1ccc2c(c1)[C@@H](NCCCN1CC[NH2+]CC1)CCCO2 ZINC000423175303 514069808 /nfs/dbraw/zinc/06/98/08/514069808.db2.gz DOZDXAPHKWHNOR-INIZCTEOSA-N 1 3 368.319 2.548 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000416965166 514070699 /nfs/dbraw/zinc/07/06/99/514070699.db2.gz CVSHBNRDLKZBNH-SQNIBIBYSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000416965166 514070706 /nfs/dbraw/zinc/07/07/06/514070706.db2.gz CVSHBNRDLKZBNH-SQNIBIBYSA-N 1 3 358.530 2.810 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000416973181 514078751 /nfs/dbraw/zinc/07/87/51/514078751.db2.gz JJSQNCNVAOKARS-MJGOQNOKSA-N 1 3 358.530 2.586 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3C[C@H](C)NC[C@@H]3C)cc2)CC1 ZINC000416972510 514078784 /nfs/dbraw/zinc/07/87/84/514078784.db2.gz INCZQODZJAJMNL-ROUUACIJSA-N 1 3 358.530 2.810 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000416973685 514080613 /nfs/dbraw/zinc/08/06/13/514080613.db2.gz KBHLINCOXJDIHN-UHFFFAOYSA-N 1 3 372.557 2.725 20 0 FFADHO CCCN(C(=O)NC1CCN(CCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000416974713 514081533 /nfs/dbraw/zinc/08/15/33/514081533.db2.gz LPSOXGJLAMZXPD-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO CN1CCO[C@H]([C@@H](NCC2(C)CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423325226 514109172 /nfs/dbraw/zinc/10/91/72/514109172.db2.gz JFOPHGANIRCDIX-ROUUACIJSA-N 1 3 351.922 2.691 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000420366834 514111057 /nfs/dbraw/zinc/11/10/57/514111057.db2.gz UPKWYUBOBVVTNU-IAGOWNOFSA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000420366834 514111066 /nfs/dbraw/zinc/11/10/66/514111066.db2.gz UPKWYUBOBVVTNU-IAGOWNOFSA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000420366834 514111071 /nfs/dbraw/zinc/11/10/71/514111071.db2.gz UPKWYUBOBVVTNU-IAGOWNOFSA-N 1 3 355.486 2.544 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC2)cc1 ZINC000423358023 514115955 /nfs/dbraw/zinc/11/59/55/514115955.db2.gz MZYCITOJIPZCHL-OXQOHEQNSA-N 1 3 361.530 2.643 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCCc3nc(-c4ccccc4)no3)CC2)C1 ZINC000420380680 514117147 /nfs/dbraw/zinc/11/71/47/514117147.db2.gz BZNOXCDKMDXGRG-RTBURBONSA-N 1 3 370.497 2.888 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)c(OC)c1 ZINC000423366575 514117877 /nfs/dbraw/zinc/11/78/77/514117877.db2.gz XXTJPOASKDTTLO-CQSZACIVSA-N 1 3 369.465 2.814 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)CNC3)c(OC)c1 ZINC000423366575 514117886 /nfs/dbraw/zinc/11/78/86/514117886.db2.gz XXTJPOASKDTTLO-CQSZACIVSA-N 1 3 369.465 2.814 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000420393183 514125723 /nfs/dbraw/zinc/12/57/23/514125723.db2.gz BULHYCPKXXCLDB-YRPNKDGESA-N 1 3 360.885 2.691 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000420393178 514126506 /nfs/dbraw/zinc/12/65/06/514126506.db2.gz BULHYCPKXXCLDB-MUGJNUQGSA-N 1 3 360.885 2.691 20 0 FFADHO COCC1(CN[C@H](C)c2nc3ccc(Cl)cc3n2C)CC[NH2+]CC1 ZINC000423408827 514132316 /nfs/dbraw/zinc/13/23/16/514132316.db2.gz PDYLCJHRLUPPMD-CYBMUJFWSA-N 1 3 350.894 2.894 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1)[C@@H](C)[NH3+] ZINC000423410429 514132668 /nfs/dbraw/zinc/13/26/68/514132668.db2.gz AFKRJMUKOKQWEI-ZIFCJYIRSA-N 1 3 361.530 2.622 20 0 FFADHO COc1ccc([C@H](NC[C@H]2NCCc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000423438495 514141924 /nfs/dbraw/zinc/14/19/24/514141924.db2.gz UXJRYDSENKANHD-BDTNDASRSA-N 1 3 351.494 2.965 20 0 FFADHO C[C@H](C[NH2+]CC(C)(C)CN1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449285097 514144967 /nfs/dbraw/zinc/14/49/67/514144967.db2.gz PRTWZLIYBGQCTF-MRXNPFEDSA-N 1 3 352.544 2.905 20 0 FFADHO C[C@H](CNCC(C)(C)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449285097 514144981 /nfs/dbraw/zinc/14/49/81/514144981.db2.gz PRTWZLIYBGQCTF-MRXNPFEDSA-N 1 3 352.544 2.905 20 0 FFADHO CC(C)c1ccc(CC[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414489391 514146601 /nfs/dbraw/zinc/14/66/01/514146601.db2.gz VQRHQNFHLYUBOO-UHFFFAOYSA-N 1 3 359.558 2.739 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417090929 514163131 /nfs/dbraw/zinc/16/31/31/514163131.db2.gz ZJALUNQIEFQELN-RTWAWAEBSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2cccs2)C2(CO)CCC2)CC1 ZINC000452061448 514169052 /nfs/dbraw/zinc/16/90/52/514169052.db2.gz PJDSQPAEDNCTCI-IBGZPJMESA-N 1 3 365.587 2.958 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417181584 514214906 /nfs/dbraw/zinc/21/49/06/514214906.db2.gz IDWPTHLORGZXPA-RTWAWAEBSA-N 1 3 368.525 2.939 20 0 FFADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423744449 514216124 /nfs/dbraw/zinc/21/61/24/514216124.db2.gz LHFLYVADDMWUCI-NRFANRHFSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+](C2CC2)C1 ZINC000452174751 514232067 /nfs/dbraw/zinc/23/20/67/514232067.db2.gz QSIPJYSKKMNFML-MRXNPFEDSA-N 1 3 350.466 2.803 20 0 FFADHO C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+](C2CC2)C1 ZINC000452174751 514232070 /nfs/dbraw/zinc/23/20/70/514232070.db2.gz QSIPJYSKKMNFML-MRXNPFEDSA-N 1 3 350.466 2.803 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+]3CCCC(C)(C)C3)cc2)CC1 ZINC000444612871 514273655 /nfs/dbraw/zinc/27/36/55/514273655.db2.gz JJELDCCOCDYDBW-UHFFFAOYSA-N 1 3 372.557 2.680 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+]3CCCC(C)(C)C3)cc2)CC1 ZINC000444612871 514273662 /nfs/dbraw/zinc/27/36/62/514273662.db2.gz JJELDCCOCDYDBW-UHFFFAOYSA-N 1 3 372.557 2.680 20 0 FFADHO C[C@@H]1C[C@@H](CN(CCO)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414754544 514275770 /nfs/dbraw/zinc/27/57/70/514275770.db2.gz XZMBEQVKYDIGLD-OLZOCXBDSA-N 1 3 359.283 2.771 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000414754119 514275935 /nfs/dbraw/zinc/27/59/35/514275935.db2.gz NHFBVKKWWTVBRL-MRXNPFEDSA-N 1 3 357.420 2.638 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000414754119 514275938 /nfs/dbraw/zinc/27/59/38/514275938.db2.gz NHFBVKKWWTVBRL-MRXNPFEDSA-N 1 3 357.420 2.638 20 0 FFADHO COc1ccc(C[C@H](C)C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1F ZINC000414787228 514293077 /nfs/dbraw/zinc/29/30/77/514293077.db2.gz VNYCNEVNFZORJS-RDJZCZTQSA-N 1 3 350.478 2.700 20 0 FFADHO COc1ccc(C[C@H](C)C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1F ZINC000414787228 514293086 /nfs/dbraw/zinc/29/30/86/514293086.db2.gz VNYCNEVNFZORJS-RDJZCZTQSA-N 1 3 350.478 2.700 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000417352104 514306975 /nfs/dbraw/zinc/30/69/75/514306975.db2.gz FJEBSNYYGJNZMU-RBBKRZOGSA-N 1 3 370.541 2.917 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438345469 514361128 /nfs/dbraw/zinc/36/11/28/514361128.db2.gz MRKDKZGXQUNWIP-YZGWKJHDSA-N 1 3 362.562 2.909 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438345469 514361134 /nfs/dbraw/zinc/36/11/34/514361134.db2.gz MRKDKZGXQUNWIP-YZGWKJHDSA-N 1 3 362.562 2.909 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3C[C@@H](C)NC[C@@H]3C)c2)CC1 ZINC000417468540 514367586 /nfs/dbraw/zinc/36/75/86/514367586.db2.gz OVJZQEVJVVGUKZ-MSOLQXFVSA-N 1 3 358.530 2.810 20 0 FFADHO CC[C@H]([NH3+])CNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414988454 514389435 /nfs/dbraw/zinc/38/94/35/514389435.db2.gz LSIOKRBMXSICHE-AWEZNQCLSA-N 1 3 368.319 2.689 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414988717 514389975 /nfs/dbraw/zinc/38/99/75/514389975.db2.gz PVLFUGOSAOBREI-CQSZACIVSA-N 1 3 369.353 2.940 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417533581 514396235 /nfs/dbraw/zinc/39/62/35/514396235.db2.gz NBYJEKLLHPOCHP-SOLBZPMBSA-N 1 3 350.551 2.669 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000415023481 514406148 /nfs/dbraw/zinc/40/61/48/514406148.db2.gz LHQTVNROODQWDE-JOCQHMNTSA-N 1 3 351.857 2.915 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N(C)Cc1ccccc1 ZINC000417563853 514410336 /nfs/dbraw/zinc/41/03/36/514410336.db2.gz DTHZUWLRWQGBQR-YLJYHZDGSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N(C)Cc1ccccc1 ZINC000417575909 514415409 /nfs/dbraw/zinc/41/54/09/514415409.db2.gz GOTUCUKLPFMODN-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415071327 514428673 /nfs/dbraw/zinc/42/86/73/514428673.db2.gz SNHFHJORHYNZGU-SFHVURJKSA-N 1 3 364.559 2.773 20 0 FFADHO COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415093776 514440408 /nfs/dbraw/zinc/44/04/08/514440408.db2.gz VXHOMFLHPHFXIA-JTSKRJEESA-N 1 3 367.493 2.572 20 0 FFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3CN3CCC(O)CC3)C[C@H]2C1 ZINC000424308643 514453942 /nfs/dbraw/zinc/45/39/42/514453942.db2.gz GTXHBXGBCUDDCY-QJWCVOLQSA-N 1 3 358.526 2.937 20 0 FFADHO CSc1ccccc1OC[C@H](O)CN(C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000415128169 514457709 /nfs/dbraw/zinc/45/77/09/514457709.db2.gz SMLVOSDDTHOQIY-IAGOWNOFSA-N 1 3 352.544 2.858 20 0 FFADHO CSc1ccccc1OC[C@H](O)C[N@H+](C[C@@H]1CCCNC1)C(C)C ZINC000415128169 514457716 /nfs/dbraw/zinc/45/77/16/514457716.db2.gz SMLVOSDDTHOQIY-IAGOWNOFSA-N 1 3 352.544 2.858 20 0 FFADHO CSc1ccccc1OC[C@H](O)C[N@@H+](C[C@@H]1CCCNC1)C(C)C ZINC000415128169 514457722 /nfs/dbraw/zinc/45/77/22/514457722.db2.gz SMLVOSDDTHOQIY-IAGOWNOFSA-N 1 3 352.544 2.858 20 0 FFADHO Cc1nn(C(C)C)cc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415134257 514460754 /nfs/dbraw/zinc/46/07/54/514460754.db2.gz OHGBYWBBJRTTJT-UHFFFAOYSA-N 1 3 355.530 2.856 20 0 FFADHO C[C@H]1CC2(CN1Cc1cc3c(cc1OC(F)F)OCO3)CC[NH2+]CC2 ZINC000424377067 514464965 /nfs/dbraw/zinc/46/49/65/514464965.db2.gz LQUTUAHUBDWHMV-LBPRGKRZSA-N 1 3 354.397 2.981 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC(c2ccccc2)C1 ZINC000465934495 514524998 /nfs/dbraw/zinc/52/49/98/514524998.db2.gz MTSKGWBQCYDKGP-CBNMVNINSA-N 1 3 372.557 2.990 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC(c2ccccc2)C1 ZINC000465934495 514525004 /nfs/dbraw/zinc/52/50/04/514525004.db2.gz MTSKGWBQCYDKGP-CBNMVNINSA-N 1 3 372.557 2.990 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)([NH+](C)C)C1 ZINC000458004040 514525636 /nfs/dbraw/zinc/52/56/36/514525636.db2.gz NWASNPONMQKPEU-MISYRCLQSA-N 1 3 350.551 2.624 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)c(C)c2)CC1 ZINC000466047048 514548099 /nfs/dbraw/zinc/54/80/99/514548099.db2.gz YTTRXYLVRFYPFZ-QZTJIDSGSA-N 1 3 373.545 2.741 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c2)CC1 ZINC000466047048 514548103 /nfs/dbraw/zinc/54/81/03/514548103.db2.gz YTTRXYLVRFYPFZ-QZTJIDSGSA-N 1 3 373.545 2.741 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475178471 514579486 /nfs/dbraw/zinc/57/94/86/514579486.db2.gz QXXAJBMUPHZBEL-AZUAARDMSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475178471 514579488 /nfs/dbraw/zinc/57/94/88/514579488.db2.gz QXXAJBMUPHZBEL-AZUAARDMSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000479457758 514591339 /nfs/dbraw/zinc/59/13/39/514591339.db2.gz RWILSKBJWOJZML-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000479457758 514591351 /nfs/dbraw/zinc/59/13/51/514591351.db2.gz RWILSKBJWOJZML-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453419611 514626501 /nfs/dbraw/zinc/62/65/01/514626501.db2.gz DBWKOCUEUQQPQC-FCEUIQTBSA-N 1 3 362.558 2.933 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453419611 514626507 /nfs/dbraw/zinc/62/65/07/514626507.db2.gz DBWKOCUEUQQPQC-FCEUIQTBSA-N 1 3 362.558 2.933 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)C1 ZINC000488907933 514628317 /nfs/dbraw/zinc/62/83/17/514628317.db2.gz JLHZUDTVQQUPMC-LTFXXXRZSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)C1 ZINC000488907933 514628323 /nfs/dbraw/zinc/62/83/23/514628323.db2.gz JLHZUDTVQQUPMC-LTFXXXRZSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC(=O)N1 ZINC000453425074 514629131 /nfs/dbraw/zinc/62/91/31/514629131.db2.gz NXBXIOXAVIKZHI-XAPVIXHLSA-N 1 3 355.526 2.936 20 0 FFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502428614 514648719 /nfs/dbraw/zinc/64/87/19/514648719.db2.gz DXGUNXOICXYPBW-FPOVZHCZSA-N 1 3 373.541 2.807 20 0 FFADHO O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@@H]2CCCCN12 ZINC000453456059 514649520 /nfs/dbraw/zinc/64/95/20/514649520.db2.gz VAEPIDHMLHGNGF-XDWAVFMPSA-N 1 3 353.510 2.640 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN1Cc1ccccc1 ZINC000497855188 514660836 /nfs/dbraw/zinc/66/08/36/514660836.db2.gz ZYCYBQAFLCGDFW-QFUCXCTJSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN1Cc1ccccc1 ZINC000497855188 514660844 /nfs/dbraw/zinc/66/08/44/514660844.db2.gz ZYCYBQAFLCGDFW-QFUCXCTJSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc(OCCN(C)C)c1 ZINC000484480198 514664388 /nfs/dbraw/zinc/66/43/88/514664388.db2.gz LTTKFXOTKPWPSV-APWZRJJASA-N 1 3 351.560 2.715 20 0 FFADHO COc1cc(F)c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1OC ZINC000484489971 514665913 /nfs/dbraw/zinc/66/59/13/514665913.db2.gz PTCJXGOINYMFAZ-CQSZACIVSA-N 1 3 353.482 2.520 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)N(C)C)cc1 ZINC000458302376 514697764 /nfs/dbraw/zinc/69/77/64/514697764.db2.gz YQLCTLQSRWPRJB-RDTXWAMCSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000458302376 514697775 /nfs/dbraw/zinc/69/77/75/514697775.db2.gz YQLCTLQSRWPRJB-RDTXWAMCSA-N 1 3 364.559 2.793 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489133648 514723376 /nfs/dbraw/zinc/72/33/76/514723376.db2.gz GUTFRXRFSQAFAZ-WSTZPKSXSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489133648 514723385 /nfs/dbraw/zinc/72/33/85/514723385.db2.gz GUTFRXRFSQAFAZ-WSTZPKSXSA-N 1 3 360.546 2.927 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000498105489 514762487 /nfs/dbraw/zinc/76/24/87/514762487.db2.gz BNUXABLONHOFDR-VAMGGRTRSA-N 1 3 358.530 2.805 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000498117943 514768282 /nfs/dbraw/zinc/76/82/82/514768282.db2.gz QIRSEYKUSQPGSU-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000458419563 514781417 /nfs/dbraw/zinc/78/14/17/514781417.db2.gz QOSYBPUQWBQVPM-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000458419563 514781426 /nfs/dbraw/zinc/78/14/26/514781426.db2.gz QOSYBPUQWBQVPM-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000502849188 514808817 /nfs/dbraw/zinc/80/88/17/514808817.db2.gz WZBOUNBLIKCCPP-OALUTQOASA-N 1 3 354.583 2.974 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466928330 514829788 /nfs/dbraw/zinc/82/97/88/514829788.db2.gz BRXAIZBIKYZOSZ-QFBILLFUSA-N 1 3 350.551 2.623 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466928330 514829799 /nfs/dbraw/zinc/82/97/99/514829799.db2.gz BRXAIZBIKYZOSZ-QFBILLFUSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466937059 514834125 /nfs/dbraw/zinc/83/41/25/514834125.db2.gz ZKXYJYXOOWEBIS-CAMMJAKZSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000502910938 514840555 /nfs/dbraw/zinc/84/05/55/514840555.db2.gz MSZLMESAQQUWRD-GOSISDBHSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(CCCOc2cccc(I)c2)C1 ZINC000484962819 514855941 /nfs/dbraw/zinc/85/59/41/514855941.db2.gz MVXSXUWSEGBYST-STQMWFEESA-N 1 3 374.266 2.729 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000508759330 514886895 /nfs/dbraw/zinc/88/68/95/514886895.db2.gz QGTFVWFGCZFXFT-KSZLIROESA-N 1 3 361.530 2.723 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000508759330 514886905 /nfs/dbraw/zinc/88/69/05/514886905.db2.gz QGTFVWFGCZFXFT-KSZLIROESA-N 1 3 361.530 2.723 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000503086273 514914489 /nfs/dbraw/zinc/91/44/89/514914489.db2.gz PYEGPQOBMCTETH-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO COc1ccc([C@H](CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000503116584 514924784 /nfs/dbraw/zinc/92/47/84/514924784.db2.gz LFQPWUBGXNAJAY-PXNSSMCTSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000503116584 514924792 /nfs/dbraw/zinc/92/47/92/514924792.db2.gz LFQPWUBGXNAJAY-PXNSSMCTSA-N 1 3 374.529 2.568 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462192457 514933088 /nfs/dbraw/zinc/93/30/88/514933088.db2.gz BXWMYVUNDLXYJW-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462192457 514933101 /nfs/dbraw/zinc/93/31/01/514933101.db2.gz BXWMYVUNDLXYJW-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)C1 ZINC000489777595 514971845 /nfs/dbraw/zinc/97/18/45/514971845.db2.gz LIZKEQAUCKMTMN-VNTMZGSJSA-N 1 3 364.578 2.726 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)C1 ZINC000489777595 514971855 /nfs/dbraw/zinc/97/18/55/514971855.db2.gz LIZKEQAUCKMTMN-VNTMZGSJSA-N 1 3 364.578 2.726 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000480478659 514973040 /nfs/dbraw/zinc/97/30/40/514973040.db2.gz DHERBCNUQOUDJH-OAQYLSRUSA-N 1 3 371.500 2.661 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000489787593 514976077 /nfs/dbraw/zinc/97/60/77/514976077.db2.gz OSMVVTSHEHVEEE-NJDAHSKKSA-N 1 3 372.557 2.995 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C)CC[C@H]1C ZINC000489846449 514999376 /nfs/dbraw/zinc/99/93/76/514999376.db2.gz NIDAEFWUEAVPQX-QWFCFKBJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C)CC[C@H]1C ZINC000489846449 514999383 /nfs/dbraw/zinc/99/93/83/514999383.db2.gz NIDAEFWUEAVPQX-QWFCFKBJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)[NH+]1CCCCC1 ZINC000489978845 515055728 /nfs/dbraw/zinc/05/57/28/515055728.db2.gz GFBPSTZIUUYOPI-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000458771356 515079627 /nfs/dbraw/zinc/07/96/27/515079627.db2.gz MLLAJJBPPVMLRD-SNGLOFTFSA-N 1 3 358.530 2.911 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000458771356 515079633 /nfs/dbraw/zinc/07/96/33/515079633.db2.gz MLLAJJBPPVMLRD-SNGLOFTFSA-N 1 3 358.530 2.911 20 0 FFADHO CCN(CCC[NH+](CC)CC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000462515724 515099142 /nfs/dbraw/zinc/09/91/42/515099142.db2.gz URFDACRLHVBNDX-UHFFFAOYSA-N 1 3 358.596 2.577 20 0 FFADHO C[N@H+](CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000509346679 515134927 /nfs/dbraw/zinc/13/49/27/515134927.db2.gz VZQGEWFNZDIVRX-SFHVURJKSA-N 1 3 369.431 2.651 20 0 FFADHO C[N@@H+](CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000509346679 515134935 /nfs/dbraw/zinc/13/49/35/515134935.db2.gz VZQGEWFNZDIVRX-SFHVURJKSA-N 1 3 369.431 2.651 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490240492 515151987 /nfs/dbraw/zinc/15/19/87/515151987.db2.gz DYGLNXRGKGICBP-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccco1 ZINC000480971427 515156836 /nfs/dbraw/zinc/15/68/36/515156836.db2.gz NQGWRTLXBXUCFL-IXDOHACOSA-N 1 3 350.507 2.740 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000499212655 515239406 /nfs/dbraw/zinc/23/94/06/515239406.db2.gz LIPXRLACCWYMMH-NSHGMRRFSA-N 1 3 360.546 2.955 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000499212655 515239414 /nfs/dbraw/zinc/23/94/14/515239414.db2.gz LIPXRLACCWYMMH-NSHGMRRFSA-N 1 3 360.546 2.955 20 0 FFADHO CCC(CC)(C[NH3+])C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000504218483 515244690 /nfs/dbraw/zinc/24/46/90/515244690.db2.gz DMKLJYYTNGFQKE-UHFFFAOYSA-N 1 3 374.573 2.779 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459041741 515279599 /nfs/dbraw/zinc/27/95/99/515279599.db2.gz BTRDLSUVHRGQPK-RAFMOHDBSA-N 1 3 356.514 2.528 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459041741 515279608 /nfs/dbraw/zinc/27/96/08/515279608.db2.gz BTRDLSUVHRGQPK-RAFMOHDBSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000481324711 515291242 /nfs/dbraw/zinc/29/12/42/515291242.db2.gz RVYABOASVLRPOP-RBBKRZOGSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000468336964 515315717 /nfs/dbraw/zinc/31/57/17/515315717.db2.gz HYYVDXNLQMQNNI-HDICACEKSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000468336964 515315728 /nfs/dbraw/zinc/31/57/28/515315728.db2.gz HYYVDXNLQMQNNI-HDICACEKSA-N 1 3 352.567 2.870 20 0 FFADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000486136970 515348374 /nfs/dbraw/zinc/34/83/74/515348374.db2.gz LCESWFLSRCFQKZ-UHFFFAOYSA-N 1 3 368.481 2.891 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@@H]3CN(CCN4CCCOCC4)CC[C@H]32)cc1 ZINC000463109381 515370515 /nfs/dbraw/zinc/37/05/15/515370515.db2.gz QSWQFTLLJOPRHK-FGZHOGPDSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCN4CCCOCC4)CC[C@H]32)cc1 ZINC000463109381 515370520 /nfs/dbraw/zinc/37/05/20/515370520.db2.gz QSWQFTLLJOPRHK-FGZHOGPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000468469418 515372336 /nfs/dbraw/zinc/37/23/36/515372336.db2.gz LAVVBYZLUUYJPV-UXHICEINSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000468469418 515372344 /nfs/dbraw/zinc/37/23/44/515372344.db2.gz LAVVBYZLUUYJPV-UXHICEINSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000468478582 515378716 /nfs/dbraw/zinc/37/87/16/515378716.db2.gz KUSJTLSCAXIVJC-SCTDSRPQSA-N 1 3 371.525 2.964 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486246284 515398333 /nfs/dbraw/zinc/39/83/33/515398333.db2.gz URKCBECZWFHGFA-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486246284 515398343 /nfs/dbraw/zinc/39/83/43/515398343.db2.gz URKCBECZWFHGFA-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CC1CC[NH+](C)CC1 ZINC000486260192 515405374 /nfs/dbraw/zinc/40/53/74/515405374.db2.gz MRAHDQDDSQERHK-HXUWFJFHSA-N 1 3 358.530 2.626 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459247301 515421226 /nfs/dbraw/zinc/42/12/26/515421226.db2.gz CHGYEJFEQRRWGR-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459247301 515421234 /nfs/dbraw/zinc/42/12/34/515421234.db2.gz CHGYEJFEQRRWGR-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459269785 515434403 /nfs/dbraw/zinc/43/44/03/515434403.db2.gz UOZSAHFTAAIJJW-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459269785 515434413 /nfs/dbraw/zinc/43/44/13/515434413.db2.gz UOZSAHFTAAIJJW-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCN(Cc2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)CC1 ZINC000459335470 515480505 /nfs/dbraw/zinc/48/05/05/515480505.db2.gz ALIOYZOEKZKLRC-UHFFFAOYSA-N 1 3 365.525 2.910 20 0 FFADHO Cc1noc(CCC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000477667803 515546972 /nfs/dbraw/zinc/54/69/72/515546972.db2.gz NVKZJCKADGLWMQ-IYBDPMFKSA-N 1 3 350.507 2.522 20 0 FFADHO Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)c(N2CCOCC2)c1 ZINC000459438463 515552267 /nfs/dbraw/zinc/55/22/67/515552267.db2.gz HPLTTZWPJSMAGD-UHFFFAOYSA-N 1 3 366.509 2.985 20 0 FFADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CC2 ZINC000482114675 515580229 /nfs/dbraw/zinc/58/02/29/515580229.db2.gz OOBAZCLUFMVQQR-JOCHJYFZSA-N 1 3 366.509 2.879 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000505551701 515583035 /nfs/dbraw/zinc/58/30/35/515583035.db2.gz WXPJWWTVMCVQNO-RBBKRZOGSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000505551701 515583045 /nfs/dbraw/zinc/58/30/45/515583045.db2.gz WXPJWWTVMCVQNO-RBBKRZOGSA-N 1 3 355.526 2.843 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000468920381 515584159 /nfs/dbraw/zinc/58/41/59/515584159.db2.gz ICJAZJMTGCWVIX-IBGZPJMESA-N 1 3 365.562 2.792 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000468920381 515584168 /nfs/dbraw/zinc/58/41/68/515584168.db2.gz ICJAZJMTGCWVIX-IBGZPJMESA-N 1 3 365.562 2.792 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCCC1 ZINC000510573751 515592793 /nfs/dbraw/zinc/59/27/93/515592793.db2.gz NVCKNNQZLJSTOV-LPHOPBHVSA-N 1 3 350.551 2.837 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000454607580 515605275 /nfs/dbraw/zinc/60/52/75/515605275.db2.gz OCFYQFNPEVZVQI-ICSRJNTNSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000454607580 515605283 /nfs/dbraw/zinc/60/52/83/515605283.db2.gz OCFYQFNPEVZVQI-ICSRJNTNSA-N 1 3 370.541 2.634 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(OC(F)F)c1 ZINC000505730989 515649720 /nfs/dbraw/zinc/64/97/20/515649720.db2.gz GDUXAQJMTNLOEC-MRXNPFEDSA-N 1 3 369.456 2.776 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(OC(F)F)c1 ZINC000505730989 515649729 /nfs/dbraw/zinc/64/97/29/515649729.db2.gz GDUXAQJMTNLOEC-MRXNPFEDSA-N 1 3 369.456 2.776 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccco1 ZINC000493910603 515684156 /nfs/dbraw/zinc/68/41/56/515684156.db2.gz AQPMMURGCQOICD-WBVHZDCISA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccco1 ZINC000493910603 515684164 /nfs/dbraw/zinc/68/41/64/515684164.db2.gz AQPMMURGCQOICD-WBVHZDCISA-N 1 3 350.507 2.882 20 0 FFADHO CN1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000454714225 515687222 /nfs/dbraw/zinc/68/72/22/515687222.db2.gz CTRFLFWGGGQCCB-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)ccn1 ZINC000464071989 515702950 /nfs/dbraw/zinc/70/29/50/515702950.db2.gz XVXRESHMFZUKSO-QHAWAJNXSA-N 1 3 372.557 2.779 20 0 FFADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000464080480 515704634 /nfs/dbraw/zinc/70/46/34/515704634.db2.gz CGPHWDZEYXWJLM-RTWAWAEBSA-N 1 3 359.558 2.548 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000500547796 515763319 /nfs/dbraw/zinc/76/33/19/515763319.db2.gz YZSPALZGUWGRKL-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000478423595 515817931 /nfs/dbraw/zinc/81/79/31/515817931.db2.gz ZKHXJVSSRPQXBH-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000473962621 515822459 /nfs/dbraw/zinc/82/24/59/515822459.db2.gz YQJNRKNOOKZNPH-YRWFTTLQSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000473962621 515822468 /nfs/dbraw/zinc/82/24/68/515822468.db2.gz YQJNRKNOOKZNPH-YRWFTTLQSA-N 1 3 358.530 2.536 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000457398360 515847937 /nfs/dbraw/zinc/84/79/37/515847937.db2.gz CXWRMKOCQQVNGO-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000457398360 515847946 /nfs/dbraw/zinc/84/79/46/515847946.db2.gz CXWRMKOCQQVNGO-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H]1CN(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000494477486 515856787 /nfs/dbraw/zinc/85/67/87/515856787.db2.gz XPFRRAVXQHNELI-LQCXBHPOSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H]1CN(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000494477486 515856796 /nfs/dbraw/zinc/85/67/96/515856796.db2.gz XPFRRAVXQHNELI-LQCXBHPOSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000500829842 515875084 /nfs/dbraw/zinc/87/50/84/515875084.db2.gz AGGZDHFKIBUDHM-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000500829842 515875093 /nfs/dbraw/zinc/87/50/93/515875093.db2.gz AGGZDHFKIBUDHM-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000487536747 515897486 /nfs/dbraw/zinc/89/74/86/515897486.db2.gz KDJOZXPYXCKSMA-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000487543710 515899066 /nfs/dbraw/zinc/89/90/66/515899066.db2.gz UMXGPTLZDXFAID-FPOVZHCZSA-N 1 3 358.530 2.807 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000487543710 515899074 /nfs/dbraw/zinc/89/90/74/515899074.db2.gz UMXGPTLZDXFAID-FPOVZHCZSA-N 1 3 358.530 2.807 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)N(C)C)cc1 ZINC000487547094 515901166 /nfs/dbraw/zinc/90/11/66/515901166.db2.gz ZPJBLRFZHRORBG-CTNGQTDRSA-N 1 3 358.530 2.589 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)N(C)C)cc1 ZINC000487547094 515901173 /nfs/dbraw/zinc/90/11/73/515901173.db2.gz ZPJBLRFZHRORBG-CTNGQTDRSA-N 1 3 358.530 2.589 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000494681430 515921878 /nfs/dbraw/zinc/92/18/78/515921878.db2.gz SFASHHBTXPHURY-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000494681430 515921882 /nfs/dbraw/zinc/92/18/82/515921882.db2.gz SFASHHBTXPHURY-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CN(CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511548971 515942071 /nfs/dbraw/zinc/94/20/71/515942071.db2.gz ZWTZXPJUTQBELD-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO CN(CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511548971 515942078 /nfs/dbraw/zinc/94/20/78/515942078.db2.gz ZWTZXPJUTQBELD-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[NH+]2CCCCC2)N(C)C)cc1 ZINC000457536236 515949315 /nfs/dbraw/zinc/94/93/15/515949315.db2.gz DDYGVGYKAUVUBW-GOSISDBHSA-N 1 3 364.559 2.796 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000457539845 515953621 /nfs/dbraw/zinc/95/36/21/515953621.db2.gz OENQBHWCRRQABD-IBGZPJMESA-N 1 3 358.530 2.636 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1cccc(OC)c1 ZINC000457549541 515961531 /nfs/dbraw/zinc/96/15/31/515961531.db2.gz CKMVLGZINBMJHE-SFHVURJKSA-N 1 3 364.534 2.718 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)N(C)C)cc1 ZINC000474318347 515988356 /nfs/dbraw/zinc/98/83/56/515988356.db2.gz YKUMALCLPFUWIQ-JOCHJYFZSA-N 1 3 365.521 2.970 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@@H](C)C1 ZINC000487841474 516002139 /nfs/dbraw/zinc/00/21/39/516002139.db2.gz SAMYEJRRVWEERH-ONCXSQPRSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H](CNC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000487844122 516005549 /nfs/dbraw/zinc/00/55/49/516005549.db2.gz VQQQKPIUYHDWDH-PJVZLEMVSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H](CNC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000487844122 516005561 /nfs/dbraw/zinc/00/55/61/516005561.db2.gz VQQQKPIUYHDWDH-PJVZLEMVSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000487933280 516039076 /nfs/dbraw/zinc/03/90/76/516039076.db2.gz IODBZKNNPNIPSO-AOIWGVFYSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000487933280 516039088 /nfs/dbraw/zinc/03/90/88/516039088.db2.gz IODBZKNNPNIPSO-AOIWGVFYSA-N 1 3 358.530 2.679 20 0 FFADHO CC[NH+]1CCC(CCN[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479081415 516049899 /nfs/dbraw/zinc/04/98/99/516049899.db2.gz UBIONXYLBOBVRM-INIZCTEOSA-N 1 3 367.559 2.723 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000511907567 516075496 /nfs/dbraw/zinc/07/54/96/516075496.db2.gz SVZGBWLDVDJXJG-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000511907567 516075507 /nfs/dbraw/zinc/07/55/07/516075507.db2.gz SVZGBWLDVDJXJG-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCN(C2CC2)C1 ZINC000457697046 516076473 /nfs/dbraw/zinc/07/64/73/516076473.db2.gz QFOBBMHNVVKPDY-LPHOPBHVSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C(=O)[C@@H](C[NH3+])c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000479190424 516098225 /nfs/dbraw/zinc/09/82/25/516098225.db2.gz RGIFXLXVWVISBQ-NRFANRHFSA-N 1 3 369.484 2.991 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000479201467 516105105 /nfs/dbraw/zinc/10/51/05/516105105.db2.gz GSASEVSILBUYIU-FQEVSTJZSA-N 1 3 373.472 2.515 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000479205426 516107264 /nfs/dbraw/zinc/10/72/64/516107264.db2.gz DSJGPEFNWVBFHV-HXUWFJFHSA-N 1 3 355.457 2.649 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479218179 516112318 /nfs/dbraw/zinc/11/23/18/516112318.db2.gz FEOZEXUVQZTUBA-UIAACRFSSA-N 1 3 355.457 2.820 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000460364452 516133958 /nfs/dbraw/zinc/13/39/58/516133958.db2.gz MBNQFEXABGQWNF-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000501533481 516141900 /nfs/dbraw/zinc/14/19/00/516141900.db2.gz QUVXCRLNICXXQW-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000501533481 516141908 /nfs/dbraw/zinc/14/19/08/516141908.db2.gz QUVXCRLNICXXQW-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000501533426 516143645 /nfs/dbraw/zinc/14/36/45/516143645.db2.gz QPFLVHKXMWSMIW-ZSYWTGECSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000501533426 516143661 /nfs/dbraw/zinc/14/36/61/516143661.db2.gz QPFLVHKXMWSMIW-ZSYWTGECSA-N 1 3 352.567 2.917 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000465423683 516146553 /nfs/dbraw/zinc/14/65/53/516146553.db2.gz NOPYOHXAIGABSM-WOJBJXKFSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000465423683 516146562 /nfs/dbraw/zinc/14/65/62/516146562.db2.gz NOPYOHXAIGABSM-WOJBJXKFSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000457791633 516149427 /nfs/dbraw/zinc/14/94/27/516149427.db2.gz HAHZHVYEOPOSNR-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000457791633 516149435 /nfs/dbraw/zinc/14/94/35/516149435.db2.gz HAHZHVYEOPOSNR-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000457791633 516149446 /nfs/dbraw/zinc/14/94/46/516149446.db2.gz HAHZHVYEOPOSNR-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465425927 516150040 /nfs/dbraw/zinc/15/00/40/516150040.db2.gz CGKUPWZDSFTDDW-RTWAWAEBSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465425927 516150047 /nfs/dbraw/zinc/15/00/47/516150047.db2.gz CGKUPWZDSFTDDW-RTWAWAEBSA-N 1 3 372.557 2.723 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000501573863 516158629 /nfs/dbraw/zinc/15/86/29/516158629.db2.gz KILXZIUETOGFGC-XLIONFOSSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000501573863 516158639 /nfs/dbraw/zinc/15/86/39/516158639.db2.gz KILXZIUETOGFGC-XLIONFOSSA-N 1 3 360.546 2.883 20 0 FFADHO CC1CCN(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000474701418 516162460 /nfs/dbraw/zinc/16/24/60/516162460.db2.gz FMBWLUVACNAAQS-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO CC1CCN(CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000474701418 516162470 /nfs/dbraw/zinc/16/24/70/516162470.db2.gz FMBWLUVACNAAQS-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474724068 516171271 /nfs/dbraw/zinc/17/12/71/516171271.db2.gz ACBZCXTWSNORBF-QZTJIDSGSA-N 1 3 367.965 2.812 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000465524212 516179809 /nfs/dbraw/zinc/17/98/09/516179809.db2.gz JDHXWIGWQJBPNA-UXHICEINSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000465524212 516179818 /nfs/dbraw/zinc/17/98/18/516179818.db2.gz JDHXWIGWQJBPNA-UXHICEINSA-N 1 3 358.530 2.607 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H]1C ZINC000483702364 516181020 /nfs/dbraw/zinc/18/10/20/516181020.db2.gz PKUITVKZWPJBOP-SXLOBPIMSA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H]1C ZINC000483702364 516181029 /nfs/dbraw/zinc/18/10/29/516181029.db2.gz PKUITVKZWPJBOP-SXLOBPIMSA-N 1 3 360.546 2.674 20 0 FFADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000483714542 516184528 /nfs/dbraw/zinc/18/45/28/516184528.db2.gz OPEAWPWLGJWBEL-IRXDYDNUSA-N 1 3 350.551 2.956 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000470294454 516197398 /nfs/dbraw/zinc/19/73/98/516197398.db2.gz BYQZSMMQFUDLHM-VQTJNVASSA-N 1 3 360.546 2.879 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000465583053 516203406 /nfs/dbraw/zinc/20/34/06/516203406.db2.gz UOZMAWHFZCRWAC-PXNSSMCTSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000465583053 516203415 /nfs/dbraw/zinc/20/34/15/516203415.db2.gz UOZMAWHFZCRWAC-PXNSSMCTSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)N(C)C)cc1 ZINC000488465134 516231727 /nfs/dbraw/zinc/23/17/27/516231727.db2.gz XGKGIRXVPMHRGI-SXLOBPIMSA-N 1 3 358.530 2.866 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000457921909 516231982 /nfs/dbraw/zinc/23/19/82/516231982.db2.gz HALBRXIZSZJKKT-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000457921909 516231988 /nfs/dbraw/zinc/23/19/88/516231988.db2.gz HALBRXIZSZJKKT-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311129 516235018 /nfs/dbraw/zinc/23/50/18/516235018.db2.gz WDLKAVOCXLZWDY-DOTOQJQBSA-N 1 3 353.457 2.600 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457937506 516240341 /nfs/dbraw/zinc/24/03/41/516240341.db2.gz SULPFXLDQOOPHE-IEBWSBKVSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC000465805518 516261028 /nfs/dbraw/zinc/26/10/28/516261028.db2.gz CIECAHMXRKIUJS-SFHVURJKSA-N 1 3 372.557 2.505 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)CC1 ZINC000501974269 516278226 /nfs/dbraw/zinc/27/82/26/516278226.db2.gz TXNDMTGSQLLVMQ-UHFFFAOYSA-N 1 3 372.557 2.823 20 0 FFADHO CC[C@H]1C[C@@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CCO1 ZINC000507817263 516307539 /nfs/dbraw/zinc/30/75/39/516307539.db2.gz XMWCAVZXTJVUKZ-VXKWHMMOSA-N 1 3 359.558 2.941 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000497328345 516308244 /nfs/dbraw/zinc/30/82/44/516308244.db2.gz GCWMUKWSFLBBLB-QUCCMNQESA-N 1 3 361.555 2.582 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000497328345 516308250 /nfs/dbraw/zinc/30/82/50/516308250.db2.gz GCWMUKWSFLBBLB-QUCCMNQESA-N 1 3 361.555 2.582 20 0 FFADHO OCC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000461084435 516314596 /nfs/dbraw/zinc/31/45/96/516314596.db2.gz MJFHRSRMDUMGOT-LNRXMEIDSA-N 1 3 358.526 2.664 20 0 FFADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497418176 516321238 /nfs/dbraw/zinc/32/12/38/516321238.db2.gz QFMIZWDUJBQIPQ-NRSPTQNISA-N 1 3 355.526 2.855 20 0 FFADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000497418176 516321239 /nfs/dbraw/zinc/32/12/39/516321239.db2.gz QFMIZWDUJBQIPQ-NRSPTQNISA-N 1 3 355.526 2.855 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]([NH3+])c3ccccc3)c2)CC1 ZINC000561010029 516334394 /nfs/dbraw/zinc/33/43/94/516334394.db2.gz VEYYKMPAWZYNRB-FQEVSTJZSA-N 1 3 367.497 2.650 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000535395351 516337732 /nfs/dbraw/zinc/33/77/32/516337732.db2.gz QMEZHCQJQRQACR-UFYCRDLUSA-N 1 3 356.514 2.702 20 0 FFADHO CN(C)C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000554255548 516347189 /nfs/dbraw/zinc/34/71/89/516347189.db2.gz BXFUMCIXLKYDFF-FQEVSTJZSA-N 1 3 372.488 2.989 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@H]1C ZINC000535438420 516356509 /nfs/dbraw/zinc/35/65/09/516356509.db2.gz SWKCBMLRUBPZOZ-GSEOLPGOSA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@H]1C ZINC000535438420 516356514 /nfs/dbraw/zinc/35/65/14/516356514.db2.gz SWKCBMLRUBPZOZ-GSEOLPGOSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C[NH+](C)C ZINC000561092844 516373163 /nfs/dbraw/zinc/37/31/63/516373163.db2.gz LCPGSUYPGGGDMI-CRAIPNDOSA-N 1 3 371.447 2.755 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000557693418 516386554 /nfs/dbraw/zinc/38/65/54/516386554.db2.gz KCMXHDRYQYSIIR-UHFFFAOYSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(Cl)cc1 ZINC000531318456 516405774 /nfs/dbraw/zinc/40/57/74/516405774.db2.gz NFZYZHXXNIEHLJ-MSOLQXFVSA-N 1 3 362.905 2.598 20 0 FFADHO CC(C)(CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCCCC1 ZINC000523302808 516429492 /nfs/dbraw/zinc/42/94/92/516429492.db2.gz OHJOZPNMQAXJFO-IBGZPJMESA-N 1 3 358.530 2.674 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1C ZINC000540083216 516435913 /nfs/dbraw/zinc/43/59/13/516435913.db2.gz ZXDZCYKVSYXCLP-YLJYHZDGSA-N 1 3 373.545 2.812 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1C ZINC000540083216 516435923 /nfs/dbraw/zinc/43/59/23/516435923.db2.gz ZXDZCYKVSYXCLP-YLJYHZDGSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000561202035 516446950 /nfs/dbraw/zinc/44/69/50/516446950.db2.gz QKAHWAABHASRFP-XAPVIXHLSA-N 1 3 370.541 2.728 20 0 FFADHO C[C@]1(CNC(=O)NCC2(C)CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000561202729 516449450 /nfs/dbraw/zinc/44/94/50/516449450.db2.gz ACUFFMDGEONGSG-OAQYLSRUSA-N 1 3 358.530 2.730 20 0 FFADHO CC1(C)CC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC000523366024 516450449 /nfs/dbraw/zinc/45/04/49/516450449.db2.gz FUMFIPVUINKEIZ-KRWDZBQOSA-N 1 3 358.530 2.719 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000540208248 516476372 /nfs/dbraw/zinc/47/63/72/516476372.db2.gz SPJWJCPWHPXVQO-LJQANCHMSA-N 1 3 361.530 2.800 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000540208248 516476380 /nfs/dbraw/zinc/47/63/80/516476380.db2.gz SPJWJCPWHPXVQO-LJQANCHMSA-N 1 3 361.530 2.800 20 0 FFADHO Cn1c2ccc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)cc2oc1=O ZINC000513337426 516574008 /nfs/dbraw/zinc/57/40/08/516574008.db2.gz HPAFEXFWLCNBMT-GOSISDBHSA-N 1 3 351.450 2.743 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3cnc(-c4ccncc4)s3)CC2)CC1 ZINC000561439500 516586507 /nfs/dbraw/zinc/58/65/07/516586507.db2.gz UMCNKOQSUXHVCG-UHFFFAOYSA-N 1 3 371.554 2.853 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCN2CCC1CC2 ZINC000551230025 516616150 /nfs/dbraw/zinc/61/61/50/516616150.db2.gz HFVXIDCSISRYPL-UHFFFAOYSA-N 1 3 356.514 2.662 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000518395866 516643362 /nfs/dbraw/zinc/64/33/62/516643362.db2.gz UTQOPHBXMYPWRZ-GHTZIAJQSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000518395866 516643370 /nfs/dbraw/zinc/64/33/70/516643370.db2.gz UTQOPHBXMYPWRZ-GHTZIAJQSA-N 1 3 369.553 2.930 20 0 FFADHO CN1CC[C@H](NC(=O)NCC[N@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000536234776 516690073 /nfs/dbraw/zinc/69/00/73/516690073.db2.gz VGZXRPDZWFGBDZ-PMACEKPBSA-N 1 3 358.530 2.996 20 0 FFADHO CN1CC[C@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000536234776 516690083 /nfs/dbraw/zinc/69/00/83/516690083.db2.gz VGZXRPDZWFGBDZ-PMACEKPBSA-N 1 3 358.530 2.996 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(C)noc3C3CC3)CC2)CC1 ZINC000518561720 516703688 /nfs/dbraw/zinc/70/36/88/516703688.db2.gz PRFRDOVECHUMHB-UHFFFAOYSA-N 1 3 360.502 2.995 20 0 FFADHO COCCN1CC[C@H](Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000544351539 516719099 /nfs/dbraw/zinc/71/90/99/516719099.db2.gz VGFRKXVHESDCNY-FQEVSTJZSA-N 1 3 374.529 2.634 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524446591 516721091 /nfs/dbraw/zinc/72/10/91/516721091.db2.gz PYURRBZYLONXLL-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524446591 516721101 /nfs/dbraw/zinc/72/11/01/516721101.db2.gz PYURRBZYLONXLL-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCC[NH+]1CCCC1 ZINC000536592422 516839596 /nfs/dbraw/zinc/83/95/96/516839596.db2.gz WZSXREAPPNMGPE-UHFFFAOYSA-N 1 3 373.545 2.815 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000519004484 516851062 /nfs/dbraw/zinc/85/10/62/516851062.db2.gz XXHKNAGRMSSHAU-SFHVURJKSA-N 1 3 366.937 2.974 20 0 FFADHO C[C@H](Sc1ccc(Cl)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551763106 516859963 /nfs/dbraw/zinc/85/99/63/516859963.db2.gz RSCPOGKHVLZQIM-AWEZNQCLSA-N 1 3 357.951 2.772 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000532268032 516881456 /nfs/dbraw/zinc/88/14/56/516881456.db2.gz JOOLJOJFEXHSMD-UHFFFAOYSA-N 1 3 360.329 2.878 20 0 FFADHO C[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC000519182136 516914286 /nfs/dbraw/zinc/91/42/86/516914286.db2.gz GJEYDQDUZJVCET-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC000519182136 516914294 /nfs/dbraw/zinc/91/42/94/516914294.db2.gz GJEYDQDUZJVCET-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000558750730 516929186 /nfs/dbraw/zinc/92/91/86/516929186.db2.gz OZAFQRKFNWMLPM-INIZCTEOSA-N 1 3 370.497 3.476 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000558750730 516929191 /nfs/dbraw/zinc/92/91/91/516929191.db2.gz OZAFQRKFNWMLPM-INIZCTEOSA-N 1 3 370.497 3.476 20 0 FFADHO CC[C@H](CC(F)(F)F)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000544872178 516969758 /nfs/dbraw/zinc/96/97/58/516969758.db2.gz MSZFJJKLQPRKTG-HUUCEWRRSA-N 1 3 366.472 2.775 20 0 FFADHO CC[C@H](CC(F)(F)F)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000544872178 516969767 /nfs/dbraw/zinc/96/97/67/516969767.db2.gz MSZFJJKLQPRKTG-HUUCEWRRSA-N 1 3 366.472 2.775 20 0 FFADHO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000537011603 517002847 /nfs/dbraw/zinc/00/28/47/517002847.db2.gz DLHOWHXCRYBJGQ-LJQANCHMSA-N 1 3 370.541 2.857 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532590032 517048626 /nfs/dbraw/zinc/04/86/26/517048626.db2.gz OWWIKNNQOARLJK-NHCUHLMSSA-N 1 3 372.557 2.778 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532590032 517048642 /nfs/dbraw/zinc/04/86/42/517048642.db2.gz OWWIKNNQOARLJK-NHCUHLMSSA-N 1 3 372.557 2.778 20 0 FFADHO C[NH+](C)CCN1CCC(N[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541549978 517108939 /nfs/dbraw/zinc/10/89/39/517108939.db2.gz NFYMDHOCLMHARO-OAQYLSRUSA-N 1 3 356.489 2.926 20 0 FFADHO CN(C)CC[NH+]1CCC(N[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541549978 517108947 /nfs/dbraw/zinc/10/89/47/517108947.db2.gz NFYMDHOCLMHARO-OAQYLSRUSA-N 1 3 356.489 2.926 20 0 FFADHO COCCCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCN(C)CC1 ZINC000559215418 517121473 /nfs/dbraw/zinc/12/14/73/517121473.db2.gz WKPDPFOMZBTVGH-UHFFFAOYSA-N 1 3 353.551 2.600 20 0 FFADHO COCCCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CCN(C)CC1 ZINC000559215418 517121483 /nfs/dbraw/zinc/12/14/83/517121483.db2.gz WKPDPFOMZBTVGH-UHFFFAOYSA-N 1 3 353.551 2.600 20 0 FFADHO CCC1(CC)[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C[C@@H]1OC ZINC000537293147 517130151 /nfs/dbraw/zinc/13/01/51/517130151.db2.gz WEQCVSYXIBCTMV-PMACEKPBSA-N 1 3 360.546 2.777 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000519701193 517136289 /nfs/dbraw/zinc/13/62/89/517136289.db2.gz FSLCKGBKCNCLGC-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000519701193 517136299 /nfs/dbraw/zinc/13/62/99/517136299.db2.gz FSLCKGBKCNCLGC-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000519701193 517136306 /nfs/dbraw/zinc/13/63/06/517136306.db2.gz FSLCKGBKCNCLGC-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000532790608 517146266 /nfs/dbraw/zinc/14/62/66/517146266.db2.gz BSHCHSGEYFDPGS-UHFFFAOYSA-N 1 3 359.436 2.747 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)[C@H](c2ccccc2)C1 ZINC000552223375 517148767 /nfs/dbraw/zinc/14/87/67/517148767.db2.gz SMGIQJIXVHEGML-AFXVXQJMSA-N 1 3 370.585 2.828 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000545302924 517161057 /nfs/dbraw/zinc/16/10/57/517161057.db2.gz MGIJOQBYZWJGKB-IRXDYDNUSA-N 1 3 357.498 2.915 20 0 FFADHO CN(C)C1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)Cc2ccccc2C1 ZINC000525815408 517178157 /nfs/dbraw/zinc/17/81/57/517178157.db2.gz ANOCGIXVNNHQSW-UHFFFAOYSA-N 1 3 372.557 2.601 20 0 FFADHO CN(C)C1(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)Cc2ccccc2C1 ZINC000525815408 517178166 /nfs/dbraw/zinc/17/81/66/517178166.db2.gz ANOCGIXVNNHQSW-UHFFFAOYSA-N 1 3 372.557 2.601 20 0 FFADHO CC(C)N1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000519810729 517196483 /nfs/dbraw/zinc/19/64/83/517196483.db2.gz LKDSXTLBIDUOOS-HUUCEWRRSA-N 1 3 363.468 2.838 20 0 FFADHO CC(C)N1CCCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000519810729 517196491 /nfs/dbraw/zinc/19/64/91/517196491.db2.gz LKDSXTLBIDUOOS-HUUCEWRRSA-N 1 3 363.468 2.838 20 0 FFADHO COC[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCCC1 ZINC000525867945 517207899 /nfs/dbraw/zinc/20/78/99/517207899.db2.gz NRJLHWQEHPAJKY-NRFANRHFSA-N 1 3 373.541 2.807 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000515140343 517226997 /nfs/dbraw/zinc/22/69/97/517226997.db2.gz PKASKKBHZUQICC-MRXNPFEDSA-N 1 3 366.893 2.672 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC(F)(F)C1 ZINC000529608727 517238862 /nfs/dbraw/zinc/23/88/62/517238862.db2.gz XFKADHMPNYFGGN-CQSZACIVSA-N 1 3 365.468 2.907 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000552470830 517276063 /nfs/dbraw/zinc/27/60/63/517276063.db2.gz DFXVQVACMBKCIA-HXUWFJFHSA-N 1 3 355.482 2.790 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000515342308 517305943 /nfs/dbraw/zinc/30/59/43/517305943.db2.gz VHBHRSSDJLIYFB-OALUTQOASA-N 1 3 358.530 2.810 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000515344464 517308902 /nfs/dbraw/zinc/30/89/02/517308902.db2.gz JEBJEAVVYBRAAA-QESAQDPVSA-N 1 3 360.542 2.879 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000515344464 517308908 /nfs/dbraw/zinc/30/89/08/517308908.db2.gz JEBJEAVVYBRAAA-QESAQDPVSA-N 1 3 360.542 2.879 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000515344462 517308943 /nfs/dbraw/zinc/30/89/43/517308943.db2.gz JEBJEAVVYBRAAA-FKVLARQCSA-N 1 3 360.542 2.879 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000515344462 517308954 /nfs/dbraw/zinc/30/89/54/517308954.db2.gz JEBJEAVVYBRAAA-FKVLARQCSA-N 1 3 360.542 2.879 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000515344463 517309402 /nfs/dbraw/zinc/30/94/02/517309402.db2.gz JEBJEAVVYBRAAA-GBAJDQEWSA-N 1 3 360.542 2.879 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000515344463 517309408 /nfs/dbraw/zinc/30/94/08/517309408.db2.gz JEBJEAVVYBRAAA-GBAJDQEWSA-N 1 3 360.542 2.879 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000533163081 517321545 /nfs/dbraw/zinc/32/15/45/517321545.db2.gz WTUUBFWSHIBZNZ-VQIMIIECSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000533163081 517321553 /nfs/dbraw/zinc/32/15/53/517321553.db2.gz WTUUBFWSHIBZNZ-VQIMIIECSA-N 1 3 358.530 2.679 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c3OCC4)CC2)CC1 ZINC000529804522 517352733 /nfs/dbraw/zinc/35/27/33/517352733.db2.gz PFZWEMFHGMMOTQ-UHFFFAOYSA-N 1 3 357.498 2.756 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000549104639 517400033 /nfs/dbraw/zinc/40/00/33/517400033.db2.gz TWGJWIMQJQIJRP-QGZVFWFLSA-N 1 3 352.910 2.728 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549206707 517456785 /nfs/dbraw/zinc/45/67/85/517456785.db2.gz MGJQTRCTSFXCTJ-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549206707 517456792 /nfs/dbraw/zinc/45/67/92/517456792.db2.gz MGJQTRCTSFXCTJ-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCCCCC[NH+]1CCCC1 ZINC000559890693 517475279 /nfs/dbraw/zinc/47/52/79/517475279.db2.gz HJZPMOWWCHEZNY-QGZVFWFLSA-N 1 3 367.559 2.868 20 0 FFADHO C[C@@H](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542379244 517529826 /nfs/dbraw/zinc/52/98/26/517529826.db2.gz VWLKVRNIQQYNJY-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO OC[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000562958504 517533386 /nfs/dbraw/zinc/53/33/86/517533386.db2.gz KAALGJDMBDTXDO-VCOUNFBDSA-N 1 3 352.478 2.683 20 0 FFADHO CN1CCO[C@@H]([C@H](NC2CCC(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000562960658 517534446 /nfs/dbraw/zinc/53/44/46/517534446.db2.gz UKSWZRLHNUIEFB-UNLQRWGISA-N 1 3 351.922 2.819 20 0 FFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccncc1 ZINC000553141848 517540767 /nfs/dbraw/zinc/54/07/67/517540767.db2.gz DGUTWRLXCUGNLF-FQEVSTJZSA-N 1 3 358.530 2.845 20 0 FFADHO c1ncn(-c2cccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2)n1 ZINC000521025749 517582910 /nfs/dbraw/zinc/58/29/10/517582910.db2.gz LGQFHFVYFINQGV-FPOVZHCZSA-N 1 3 361.449 2.613 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000563068302 517631386 /nfs/dbraw/zinc/63/13/86/517631386.db2.gz MUJJTUGIHIJCDT-GJZGRUSLSA-N 1 3 366.472 2.632 20 0 FFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000563091101 517651296 /nfs/dbraw/zinc/65/12/96/517651296.db2.gz UKYWIPCZNISJNU-OAHLLOKOSA-N 1 3 367.484 2.881 20 0 FFADHO c1nn(Cc2ccccc2)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248153 517654592 /nfs/dbraw/zinc/65/45/92/517654592.db2.gz HKVWGEORCLXNRX-OAQYLSRUSA-N 1 3 354.498 2.522 20 0 FFADHO Fc1ccc(Cn2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530249329 517655798 /nfs/dbraw/zinc/65/57/98/517655798.db2.gz VOMVTGCLRFBYRM-OAQYLSRUSA-N 1 3 372.488 2.661 20 0 FFADHO Cn1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000530249348 517656432 /nfs/dbraw/zinc/65/64/32/517656432.db2.gz WDFQHJPGHZWDEF-KRWDZBQOSA-N 1 3 360.527 2.739 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000521271352 517676883 /nfs/dbraw/zinc/67/68/83/517676883.db2.gz GSRUQKLSAYPMJO-BPUTZDHNSA-N 1 3 355.320 2.768 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000521271352 517676892 /nfs/dbraw/zinc/67/68/92/517676892.db2.gz GSRUQKLSAYPMJO-BPUTZDHNSA-N 1 3 355.320 2.768 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000530287399 517680889 /nfs/dbraw/zinc/68/08/89/517680889.db2.gz OIDPFESRTUPKRP-UHFFFAOYSA-N 1 3 354.454 2.912 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccc(N(C)C)c1 ZINC000527453627 517684517 /nfs/dbraw/zinc/68/45/17/517684517.db2.gz ARNSLVHWQJEBQT-NRFANRHFSA-N 1 3 374.573 2.560 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccc(N(C)C)c1 ZINC000527453627 517684525 /nfs/dbraw/zinc/68/45/25/517684525.db2.gz ARNSLVHWQJEBQT-NRFANRHFSA-N 1 3 374.573 2.560 20 0 FFADHO C[C@]1(C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCCNC1 ZINC000516451047 517696175 /nfs/dbraw/zinc/69/61/75/517696175.db2.gz SNYWTWDGCMZETH-HOIFWPIMSA-N 1 3 369.509 2.963 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000556919642 517746246 /nfs/dbraw/zinc/74/62/46/517746246.db2.gz GXBIBPMSLVMHMY-HOTGVXAUSA-N 1 3 363.502 2.885 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000556919642 517746255 /nfs/dbraw/zinc/74/62/55/517746255.db2.gz GXBIBPMSLVMHMY-HOTGVXAUSA-N 1 3 363.502 2.885 20 0 FFADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000516578258 517753420 /nfs/dbraw/zinc/75/34/20/517753420.db2.gz AALHQKZXASMKIK-RTBURBONSA-N 1 3 353.551 2.506 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000542811938 517758015 /nfs/dbraw/zinc/75/80/15/517758015.db2.gz ZETJXKLPROYUDW-SEIRJHJZSA-N 1 3 354.494 2.931 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000542811938 517758025 /nfs/dbraw/zinc/75/80/25/517758025.db2.gz ZETJXKLPROYUDW-SEIRJHJZSA-N 1 3 354.494 2.931 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000542811938 517758036 /nfs/dbraw/zinc/75/80/36/517758036.db2.gz ZETJXKLPROYUDW-SEIRJHJZSA-N 1 3 354.494 2.931 20 0 FFADHO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000521683153 517825855 /nfs/dbraw/zinc/82/58/55/517825855.db2.gz KCTUXDULBIHREP-GOSISDBHSA-N 1 3 353.551 2.503 20 0 FFADHO c1cn(CCC[NH2+][C@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nn1 ZINC000560550563 517890568 /nfs/dbraw/zinc/89/05/68/517890568.db2.gz UDMQVJYMSPMCOC-HBMCJLEFSA-N 1 3 353.514 2.949 20 0 FFADHO C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000521962041 517919400 /nfs/dbraw/zinc/91/94/00/517919400.db2.gz IDFSTUZYNYLVNN-SFHVURJKSA-N 1 3 357.542 2.882 20 0 FFADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000543140043 517929305 /nfs/dbraw/zinc/92/93/05/517929305.db2.gz YTOKLGIXIKWCSK-OAHLLOKOSA-N 1 3 360.420 2.719 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000543232544 517980911 /nfs/dbraw/zinc/98/09/11/517980911.db2.gz MQRKPQBAVNIWLP-IRXDYDNUSA-N 1 3 357.502 2.555 20 0 FFADHO C[NH+](C)C1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCCCCC1 ZINC000530805170 517983958 /nfs/dbraw/zinc/98/39/58/517983958.db2.gz DRNORYKNMKFRKU-UHFFFAOYSA-N 1 3 365.562 2.792 20 0 FFADHO COc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)c1OC ZINC000517053217 518000941 /nfs/dbraw/zinc/00/09/41/518000941.db2.gz HGGBKBHZNAQRHP-HXUWFJFHSA-N 1 3 370.493 2.869 20 0 FFADHO COc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1OC ZINC000517053217 518000951 /nfs/dbraw/zinc/00/09/51/518000951.db2.gz HGGBKBHZNAQRHP-HXUWFJFHSA-N 1 3 370.493 2.869 20 0 FFADHO C[C@]1(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCCN1Cc1ccccc1 ZINC000563593768 518007675 /nfs/dbraw/zinc/00/76/75/518007675.db2.gz WEXQGCJFKGHHEG-PZJWPPBQSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@]1(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCCN1Cc1ccccc1 ZINC000563593767 518007820 /nfs/dbraw/zinc/00/78/20/518007820.db2.gz WEXQGCJFKGHHEG-FPOVZHCZSA-N 1 3 358.530 2.812 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000517139887 518036645 /nfs/dbraw/zinc/03/66/45/518036645.db2.gz LFSCPFFHQIIFKT-HXUWFJFHSA-N 1 3 352.482 2.782 20 0 FFADHO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(-n2ccnn2)c1 ZINC000554070879 518049242 /nfs/dbraw/zinc/04/92/42/518049242.db2.gz AGYUFEDHCCODAZ-QGZVFWFLSA-N 1 3 355.486 2.563 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000522406712 518100156 /nfs/dbraw/zinc/10/01/56/518100156.db2.gz TWJLFQDXFIHPOR-GUDVDZBRSA-N 1 3 360.546 2.784 20 0 FFADHO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000560986253 518110843 /nfs/dbraw/zinc/11/08/43/518110843.db2.gz RBXSLAILDVKFPM-GOSISDBHSA-N 1 3 360.502 2.813 20 0 FFADHO Cn1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(-c2cccs2)n1 ZINC000517330751 518120544 /nfs/dbraw/zinc/12/05/44/518120544.db2.gz SJLFACMCCXUIKP-DLBZAZTESA-N 1 3 360.527 2.867 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000522602132 518132932 /nfs/dbraw/zinc/13/29/32/518132932.db2.gz VLSPGTMSLBLCOL-QFBILLFUSA-N 1 3 356.514 2.748 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000531118687 518143990 /nfs/dbraw/zinc/14/39/90/518143990.db2.gz KTUONSXIOFTEHW-UHFFFAOYSA-N 1 3 373.522 2.873 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(CCC(N)=O)CC2)CC1 ZINC000539819010 518167591 /nfs/dbraw/zinc/16/75/91/518167591.db2.gz HWAKFOFVKXTGEB-UHFFFAOYSA-N 1 3 372.557 2.696 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000522839166 518169086 /nfs/dbraw/zinc/16/90/86/518169086.db2.gz NCAYPKYQLGIKRI-QGZVFWFLSA-N 1 3 362.518 2.871 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)C1 ZINC000584219820 518234535 /nfs/dbraw/zinc/23/45/35/518234535.db2.gz KDOFYXWKZYQGSD-RTWAWAEBSA-N 1 3 354.498 2.650 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC000569685972 518239182 /nfs/dbraw/zinc/23/91/82/518239182.db2.gz BCNDGZMCYIYRGA-INIZCTEOSA-N 1 3 360.420 2.810 20 0 FFADHO COc1ccc2c(c1F)CC[C@H]2N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000572558838 518246185 /nfs/dbraw/zinc/24/61/85/518246185.db2.gz PNJKGJXJPLSTGG-SJORKVTESA-N 1 3 365.493 2.504 20 0 FFADHO Cc1cc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000563956147 518247016 /nfs/dbraw/zinc/24/70/16/518247016.db2.gz DXRZNHHEMDLBBG-ROUUACIJSA-N 1 3 358.530 2.852 20 0 FFADHO O=C(CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCCC1 ZINC000578518587 518248157 /nfs/dbraw/zinc/24/81/57/518248157.db2.gz XZVQMUQQLFIFFH-NQIIRXRSSA-N 1 3 357.498 2.625 20 0 FFADHO OC[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]1c1ccccc1 ZINC000572593308 518265155 /nfs/dbraw/zinc/26/51/55/518265155.db2.gz FJVNRWPBXKRWED-OHUMZHCVSA-N 1 3 364.489 2.998 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNCCO3)CC[N@@H+](C2CCC2)C1 ZINC000572614242 518277442 /nfs/dbraw/zinc/27/74/42/518277442.db2.gz DKUAOSGMZLNXKZ-HNNXBMFYSA-N 1 3 358.486 2.507 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNCCO3)CC[N@H+](C2CCC2)C1 ZINC000572614242 518277450 /nfs/dbraw/zinc/27/74/50/518277450.db2.gz DKUAOSGMZLNXKZ-HNNXBMFYSA-N 1 3 358.486 2.507 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000581423405 518277784 /nfs/dbraw/zinc/27/77/84/518277784.db2.gz KYYPIBGDKLVRJW-BPUTZDHNSA-N 1 3 360.527 2.607 20 0 FFADHO Cc1cccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000575796703 518284684 /nfs/dbraw/zinc/28/46/84/518284684.db2.gz MTNQIVCENILPPD-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1cccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000575796703 518284691 /nfs/dbraw/zinc/28/46/91/518284691.db2.gz MTNQIVCENILPPD-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000575796703 518284699 /nfs/dbraw/zinc/28/46/99/518284699.db2.gz MTNQIVCENILPPD-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000572749188 518342495 /nfs/dbraw/zinc/34/24/95/518342495.db2.gz DXHZJNPHZPSQAP-AEFFLSMTSA-N 1 3 370.497 2.663 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000567117726 518360121 /nfs/dbraw/zinc/36/01/21/518360121.db2.gz QTDCZZSZZXUIQA-PBHICJAKSA-N 1 3 354.926 2.972 20 0 FFADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@@H](N3CCCC3)C2)[C@H](C(F)(F)F)C1 ZINC000569944924 518369328 /nfs/dbraw/zinc/36/93/28/518369328.db2.gz VZVSXDXLNSLOCR-RBSFLKMASA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CC[C@@H](N3CCCC3)C2)[C@H](C(F)(F)F)C1 ZINC000569944924 518369332 /nfs/dbraw/zinc/36/93/32/518369332.db2.gz VZVSXDXLNSLOCR-RBSFLKMASA-N 1 3 361.452 2.592 20 0 FFADHO CCCN(CCN1CCCCCC1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000564459369 518460680 /nfs/dbraw/zinc/46/06/80/518460680.db2.gz XCDFRTRJNUSJLT-UHFFFAOYSA-N 1 3 366.594 2.563 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000564597002 518518752 /nfs/dbraw/zinc/51/87/52/518518752.db2.gz IODRXROIMKRUQT-KRWDZBQOSA-N 1 3 370.607 2.766 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000564597002 518518758 /nfs/dbraw/zinc/51/87/58/518518758.db2.gz IODRXROIMKRUQT-KRWDZBQOSA-N 1 3 370.607 2.766 20 0 FFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCOCC1 ZINC000573136006 518523266 /nfs/dbraw/zinc/52/32/66/518523266.db2.gz MSBWLARNCCVVNN-HXUWFJFHSA-N 1 3 365.562 2.504 20 0 FFADHO O=C([C@@H]1CNCc2ccccc21)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000582060752 518570273 /nfs/dbraw/zinc/57/02/73/518570273.db2.gz BPILOCDUNZDHGY-OAQYLSRUSA-N 1 3 355.526 2.988 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOc4ccccc43)CC2)CC1 ZINC000579255742 518596612 /nfs/dbraw/zinc/59/66/12/518596612.db2.gz OKKGMRXCTJTWRD-UHFFFAOYSA-N 1 3 357.498 2.608 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2conc2C(C)(C)N)[C@H]1c1cccs1 ZINC000573338350 518620317 /nfs/dbraw/zinc/62/03/17/518620317.db2.gz KVTHLUQKYTYQKC-WFASDCNBSA-N 1 3 362.499 2.743 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)c2conc2C(C)(C)N)[C@H]1c1cccs1 ZINC000573338350 518620324 /nfs/dbraw/zinc/62/03/24/518620324.db2.gz KVTHLUQKYTYQKC-WFASDCNBSA-N 1 3 362.499 2.743 20 0 FFADHO N[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000579374410 518651515 /nfs/dbraw/zinc/65/15/15/518651515.db2.gz REPFZAKDLHRLHT-IAGOWNOFSA-N 1 3 350.938 2.712 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NCCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000579374410 518651521 /nfs/dbraw/zinc/65/15/21/518651521.db2.gz REPFZAKDLHRLHT-IAGOWNOFSA-N 1 3 350.938 2.712 20 0 FFADHO CCN1CCN(CCCC[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000564854213 518656308 /nfs/dbraw/zinc/65/63/08/518656308.db2.gz KFEHOZJVRFRUKC-HSZRJFAPSA-N 1 3 369.553 2.751 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576776526 518757788 /nfs/dbraw/zinc/75/77/88/518757788.db2.gz QEDDYJQRSSKQGE-UNMCSNQZSA-N 1 3 355.526 2.985 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576776526 518757796 /nfs/dbraw/zinc/75/77/96/518757796.db2.gz QEDDYJQRSSKQGE-UNMCSNQZSA-N 1 3 355.526 2.985 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CC(=O)N(C3CC3)C1)c1ccccc1O2 ZINC000565095484 518783034 /nfs/dbraw/zinc/78/30/34/518783034.db2.gz YWUGORKVUALRDZ-VQIMIIECSA-N 1 3 369.509 2.575 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000576849009 518795265 /nfs/dbraw/zinc/79/52/65/518795265.db2.gz DCHXVKWDWNRVFX-RTBURBONSA-N 1 3 358.530 2.728 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CCC[N@@H+](CC(C)C)C3)c2cc1C ZINC000582542289 518804832 /nfs/dbraw/zinc/80/48/32/518804832.db2.gz QNCXGSLIOOZOQC-UXHICEINSA-N 1 3 372.557 2.972 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CCC[N@H+](CC(C)C)C3)c2cc1C ZINC000582542289 518804838 /nfs/dbraw/zinc/80/48/38/518804838.db2.gz QNCXGSLIOOZOQC-UXHICEINSA-N 1 3 372.557 2.972 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@H]3CCCN(CC(C)C)C3)c2cc1C ZINC000582542289 518804844 /nfs/dbraw/zinc/80/48/44/518804844.db2.gz QNCXGSLIOOZOQC-UXHICEINSA-N 1 3 372.557 2.972 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1Cc1ccccc1 ZINC000576870864 518805076 /nfs/dbraw/zinc/80/50/76/518805076.db2.gz DKWPLMSNZFHPGA-UGGKCQTMSA-N 1 3 355.526 2.936 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000567990570 518819137 /nfs/dbraw/zinc/81/91/37/518819137.db2.gz IIXJORRETDCRSE-HXUWFJFHSA-N 1 3 369.509 2.706 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000567990570 518819143 /nfs/dbraw/zinc/81/91/43/518819143.db2.gz IIXJORRETDCRSE-HXUWFJFHSA-N 1 3 369.509 2.706 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[C@@H]1[NH3+] ZINC000582595458 518829413 /nfs/dbraw/zinc/82/94/13/518829413.db2.gz FUMCYOAINQHLTK-AESZEHBQSA-N 1 3 350.532 2.510 20 0 FFADHO CN1C[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000582614982 518838844 /nfs/dbraw/zinc/83/88/44/518838844.db2.gz SPDRBVCVBQXDED-FKBYEOEOSA-N 1 3 363.505 2.723 20 0 FFADHO CN1C[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000582614982 518838852 /nfs/dbraw/zinc/83/88/52/518838852.db2.gz SPDRBVCVBQXDED-FKBYEOEOSA-N 1 3 363.505 2.723 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000570918871 518842444 /nfs/dbraw/zinc/84/24/44/518842444.db2.gz SPLQGPJLCRBWAW-IBGZPJMESA-N 1 3 372.557 2.882 20 0 FFADHO [NH3+]CCC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000568057202 518852737 /nfs/dbraw/zinc/85/27/37/518852737.db2.gz WKFBHCSMGOILIE-GOSISDBHSA-N 1 3 351.441 2.517 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCN(CC3CCC3)CC2)CC1 ZINC000577041815 518886340 /nfs/dbraw/zinc/88/63/40/518886340.db2.gz DVXXTZWFUXRSPS-UHFFFAOYSA-N 1 3 370.541 2.941 20 0 FFADHO C[C@@H](CNC[C@H](O)COCc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000582780620 518919906 /nfs/dbraw/zinc/91/99/06/518919906.db2.gz YLPAIMXLADUJIK-WMZOPIPTSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1Cl)CN1CCCCC1 ZINC000582780620 518919912 /nfs/dbraw/zinc/91/99/12/518919912.db2.gz YLPAIMXLADUJIK-WMZOPIPTSA-N 1 3 354.922 2.929 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000568226738 518938695 /nfs/dbraw/zinc/93/86/95/518938695.db2.gz IRXBOYQGPNUECO-UHFFFAOYSA-N 1 3 372.488 2.510 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)C1CC1 ZINC000568263595 518954933 /nfs/dbraw/zinc/95/49/33/518954933.db2.gz ZOXHWBKYGGSTNE-OAQYLSRUSA-N 1 3 366.509 2.855 20 0 FFADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@H](CC)O1 ZINC000568293171 518967672 /nfs/dbraw/zinc/96/76/72/518967672.db2.gz HXUUYGMVTUHEIB-BGYRXZFFSA-N 1 3 365.562 2.599 20 0 FFADHO CN(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000574080174 518977749 /nfs/dbraw/zinc/97/77/49/518977749.db2.gz ODOXYXQBYZBBOY-RTBURBONSA-N 1 3 357.885 2.946 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000571252435 519000440 /nfs/dbraw/zinc/00/04/40/519000440.db2.gz FCTDXWQSYHJMBS-UHFFFAOYSA-N 1 3 360.546 2.712 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Br)s1 ZINC000565531951 519004072 /nfs/dbraw/zinc/00/40/72/519004072.db2.gz ICNHWUNFFQAUPZ-VXGBXAGGSA-N 1 3 374.348 2.749 20 0 FFADHO O=C1CCCN1CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000582970069 519014077 /nfs/dbraw/zinc/01/40/77/519014077.db2.gz LAZATUFGDYCWNG-QHAWAJNXSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CCCN1CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000582970069 519014083 /nfs/dbraw/zinc/01/40/83/519014083.db2.gz LAZATUFGDYCWNG-QHAWAJNXSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CCCN1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000582970069 519014087 /nfs/dbraw/zinc/01/40/87/519014087.db2.gz LAZATUFGDYCWNG-QHAWAJNXSA-N 1 3 355.526 2.889 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)C1 ZINC000580168792 519041008 /nfs/dbraw/zinc/04/10/08/519041008.db2.gz FUQUTPMUCPMZAT-AZUAARDMSA-N 1 3 368.481 2.987 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589641895 519051695 /nfs/dbraw/zinc/05/16/95/519051695.db2.gz TTXIQEQWZGIDDJ-IRXDYDNUSA-N 1 3 367.559 2.906 20 0 FFADHO CC1CC[NH+](CCCCNCc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000589642045 519052586 /nfs/dbraw/zinc/05/25/86/519052586.db2.gz ZGYJCTFBJKIUHG-UHFFFAOYSA-N 1 3 353.532 2.660 20 0 FFADHO CN(Cc1cncc(C[N@H+](C)C[C@@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000574248056 519059626 /nfs/dbraw/zinc/05/96/26/519059626.db2.gz OUIAUJHXNRDQJZ-OALUTQOASA-N 1 3 361.530 2.798 20 0 FFADHO CN(Cc1cncc(C[N@@H+](C)C[C@@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000574248056 519059635 /nfs/dbraw/zinc/05/96/35/519059635.db2.gz OUIAUJHXNRDQJZ-OALUTQOASA-N 1 3 361.530 2.798 20 0 FFADHO CNC(=O)[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Cc1ccc(F)cc1C ZINC000571404139 519080216 /nfs/dbraw/zinc/08/02/16/519080216.db2.gz ISJVMOSPCYDHLW-WMLDXEAASA-N 1 3 372.488 2.552 20 0 FFADHO c1c(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2n1CCCC2 ZINC000580420946 519168673 /nfs/dbraw/zinc/16/86/73/519168673.db2.gz MLVJGVRWICSJHG-WIYYLYMNSA-N 1 3 352.482 2.607 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580429017 519171347 /nfs/dbraw/zinc/17/13/47/519171347.db2.gz LAKNTWSAZNCUSF-UTKZUKDTSA-N 1 3 366.509 2.775 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000574504570 519186430 /nfs/dbraw/zinc/18/64/30/519186430.db2.gz YJUZCJPWJMIZGG-IFMALSPDSA-N 1 3 366.509 2.967 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000574504570 519186436 /nfs/dbraw/zinc/18/64/36/519186436.db2.gz YJUZCJPWJMIZGG-IFMALSPDSA-N 1 3 366.509 2.967 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000583321366 519189002 /nfs/dbraw/zinc/18/90/02/519189002.db2.gz CVKDQNOLXFUJFM-JTMYGCHMSA-N 1 3 359.489 2.670 20 0 FFADHO [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000574527733 519200437 /nfs/dbraw/zinc/20/04/37/519200437.db2.gz PVAWTICNEOJNRV-INIZCTEOSA-N 1 3 357.523 2.891 20 0 FFADHO COc1cc2c(c(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)c1)O[C@@H](C)C2 ZINC000565940512 519208343 /nfs/dbraw/zinc/20/83/43/519208343.db2.gz VDOJEXNGFAOXHC-DCPHZVHLSA-N 1 3 360.498 2.737 20 0 FFADHO COc1cc2c(c(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)c1)O[C@@H](C)C2 ZINC000565940518 519208382 /nfs/dbraw/zinc/20/83/82/519208382.db2.gz VDOJEXNGFAOXHC-QMIHWGKISA-N 1 3 360.498 2.737 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000583369299 519211392 /nfs/dbraw/zinc/21/13/92/519211392.db2.gz ODXXGNYWIYCNFU-IRXDYDNUSA-N 1 3 360.502 2.752 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000583371294 519213366 /nfs/dbraw/zinc/21/33/66/519213366.db2.gz RTUMBLUOTHGOJG-FQEVSTJZSA-N 1 3 370.541 2.896 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000577712817 519217337 /nfs/dbraw/zinc/21/73/37/519217337.db2.gz OUARMJSXFCCIDK-FQEVSTJZSA-N 1 3 360.546 2.787 20 0 FFADHO O=C(CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)NC1CCCCC1 ZINC000583435015 519246564 /nfs/dbraw/zinc/24/65/64/519246564.db2.gz ZYVIDIUMSFISJY-GHTZIAJQSA-N 1 3 357.498 2.671 20 0 FFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000568862051 519256079 /nfs/dbraw/zinc/25/60/79/519256079.db2.gz BDFAFDRFLYSQPY-FPOVZHCZSA-N 1 3 372.557 2.613 20 0 FFADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577827968 519275223 /nfs/dbraw/zinc/27/52/23/519275223.db2.gz DFZINKBPPDOUSJ-SJORKVTESA-N 1 3 365.543 2.609 20 0 FFADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577827968 519275227 /nfs/dbraw/zinc/27/52/27/519275227.db2.gz DFZINKBPPDOUSJ-SJORKVTESA-N 1 3 365.543 2.609 20 0 FFADHO O[C@H](CCc1ccccc1)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566091163 519292891 /nfs/dbraw/zinc/29/28/91/519292891.db2.gz UXGIHVOOBFJUEO-SYYKKAFVSA-N 1 3 352.478 2.826 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(C(F)(F)F)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000577940474 519333198 /nfs/dbraw/zinc/33/31/98/519333198.db2.gz WNRKTFHNWAFXMR-DOMZBBRYSA-N 1 3 361.433 2.503 20 0 FFADHO CC[NH2+]CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000574812679 519345643 /nfs/dbraw/zinc/34/56/43/519345643.db2.gz HMQATTLRZMHVQB-KRWDZBQOSA-N 1 3 357.420 2.557 20 0 FFADHO Cc1ccc(C(=O)NCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000581006088 519472824 /nfs/dbraw/zinc/47/28/24/519472824.db2.gz ZTJDKVWEQZWNJF-SIKLNZKXSA-N 1 3 365.477 2.570 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000572220070 519502432 /nfs/dbraw/zinc/50/24/32/519502432.db2.gz WXCCLGUVPQYWBV-PXNSSMCTSA-N 1 3 373.545 2.731 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000572220070 519502434 /nfs/dbraw/zinc/50/24/34/519502434.db2.gz WXCCLGUVPQYWBV-PXNSSMCTSA-N 1 3 373.545 2.731 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H](SC)C3)CC2)CC1 ZINC000572301649 519546223 /nfs/dbraw/zinc/54/62/23/519546223.db2.gz KQBQAFRJQZQHBU-LJQANCHMSA-N 1 3 367.603 2.927 20 0 FFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000581185692 519565039 /nfs/dbraw/zinc/56/50/39/519565039.db2.gz CPIWARLBNUHKOJ-FQEVSTJZSA-N 1 3 355.482 2.636 20 0 FFADHO CC1(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[NH2+]CC1 ZINC000575235481 519567557 /nfs/dbraw/zinc/56/75/57/519567557.db2.gz LSXNAVZRZAALJD-MRXNPFEDSA-N 1 3 364.559 2.649 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000581189906 519568052 /nfs/dbraw/zinc/56/80/52/519568052.db2.gz DXKKLYROFZXPSE-AFYVEPGGSA-N 1 3 353.510 2.783 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000581189906 519568058 /nfs/dbraw/zinc/56/80/58/519568058.db2.gz DXKKLYROFZXPSE-AFYVEPGGSA-N 1 3 353.510 2.783 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000581240577 519593662 /nfs/dbraw/zinc/59/36/62/519593662.db2.gz MMEVATSYUDRZFN-XLMAVXFVSA-N 1 3 364.559 2.948 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000581265468 519606936 /nfs/dbraw/zinc/60/69/36/519606936.db2.gz FDUMQEINIOXCJL-FCEUIQTBSA-N 1 3 359.558 2.940 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000581265468 519606942 /nfs/dbraw/zinc/60/69/42/519606942.db2.gz FDUMQEINIOXCJL-FCEUIQTBSA-N 1 3 359.558 2.940 20 0 FFADHO CN(C)C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)Cc2ccccc2C1 ZINC000566746513 519629710 /nfs/dbraw/zinc/62/97/10/519629710.db2.gz GUNVPPFWBMNOJX-UHFFFAOYSA-N 1 3 365.521 2.620 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000608437492 519976425 /nfs/dbraw/zinc/97/64/25/519976425.db2.gz BTWPCPWWDJMFHS-RTWAWAEBSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000608437492 519976432 /nfs/dbraw/zinc/97/64/32/519976432.db2.gz BTWPCPWWDJMFHS-RTWAWAEBSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000594976510 520238182 /nfs/dbraw/zinc/23/81/82/520238182.db2.gz MNLVRQRKKZJCDF-UXPWSPDFSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000594976510 520238191 /nfs/dbraw/zinc/23/81/91/520238191.db2.gz MNLVRQRKKZJCDF-UXPWSPDFSA-N 1 3 356.514 2.605 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000612970612 520248614 /nfs/dbraw/zinc/24/86/14/520248614.db2.gz KKALSYPRWZNPMP-RBUKOAKNSA-N 1 3 356.514 2.573 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612988143 520257317 /nfs/dbraw/zinc/25/73/17/520257317.db2.gz OTULCZIXLNGQTJ-OALUTQOASA-N 1 3 374.529 2.518 20 0 FFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000600858500 520500625 /nfs/dbraw/zinc/50/06/25/520500625.db2.gz MEBBBSQWPCHEHJ-LJQANCHMSA-N 1 3 368.525 2.938 20 0 FFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000600858500 520500633 /nfs/dbraw/zinc/50/06/33/520500633.db2.gz MEBBBSQWPCHEHJ-LJQANCHMSA-N 1 3 368.525 2.938 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Br ZINC000617506296 520541991 /nfs/dbraw/zinc/54/19/91/520541991.db2.gz JESIKBZRGCLKQS-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Br ZINC000617506296 520541997 /nfs/dbraw/zinc/54/19/97/520541997.db2.gz JESIKBZRGCLKQS-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000617507465 520544760 /nfs/dbraw/zinc/54/47/60/520544760.db2.gz XMRWUVUUYOUUGZ-QEJZJMRPSA-N 1 3 371.447 2.596 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000617507465 520544769 /nfs/dbraw/zinc/54/47/69/520544769.db2.gz XMRWUVUUYOUUGZ-QEJZJMRPSA-N 1 3 371.447 2.596 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000605404012 520862574 /nfs/dbraw/zinc/86/25/74/520862574.db2.gz NQMVYCKVYMTFON-OALUTQOASA-N 1 3 365.562 2.506 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccccc1F ZINC000606360775 521035570 /nfs/dbraw/zinc/03/55/70/521035570.db2.gz RTFGLNATQZHEAE-PKOBYXMFSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccccc1F ZINC000606360775 521035576 /nfs/dbraw/zinc/03/55/76/521035576.db2.gz RTFGLNATQZHEAE-PKOBYXMFSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1ccccc1F ZINC000606360774 521035858 /nfs/dbraw/zinc/03/58/58/521035858.db2.gz RTFGLNATQZHEAE-MJGOQNOKSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1ccccc1F ZINC000606360774 521035860 /nfs/dbraw/zinc/03/58/60/521035860.db2.gz RTFGLNATQZHEAE-MJGOQNOKSA-N 1 3 363.521 2.879 20 0 FFADHO CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596459222 521083888 /nfs/dbraw/zinc/08/38/88/521083888.db2.gz LBMNQYOOHJODAZ-YESZJQIVSA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596459222 521083893 /nfs/dbraw/zinc/08/38/93/521083893.db2.gz LBMNQYOOHJODAZ-YESZJQIVSA-N 1 3 358.596 2.622 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(OCCN(C)C)c1 ZINC000606589988 521107710 /nfs/dbraw/zinc/10/77/10/521107710.db2.gz SUZOHJQVZFHKCR-QGZVFWFLSA-N 1 3 362.518 2.930 20 0 FFADHO CSCc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000596737723 521255104 /nfs/dbraw/zinc/25/51/04/521255104.db2.gz AUSKPGFMAKMFGU-HNNXBMFYSA-N 1 3 352.548 2.943 20 0 FFADHO CSCc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000596737723 521255111 /nfs/dbraw/zinc/25/51/11/521255111.db2.gz AUSKPGFMAKMFGU-HNNXBMFYSA-N 1 3 352.548 2.943 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc2ccccc2c1 ZINC000607233169 521301683 /nfs/dbraw/zinc/30/16/83/521301683.db2.gz BILRERQZDBINJQ-UHFFFAOYSA-N 1 3 356.514 2.517 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000594101995 521404384 /nfs/dbraw/zinc/40/43/84/521404384.db2.gz FTYIYPPZOQEEER-QGFMHUBQSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000594101995 521404392 /nfs/dbraw/zinc/40/43/92/521404392.db2.gz FTYIYPPZOQEEER-QGFMHUBQSA-N 1 3 352.567 2.917 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000594103634 521406262 /nfs/dbraw/zinc/40/62/62/521406262.db2.gz FJCHFASWKUIONN-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)o1 ZINC000615672305 521498091 /nfs/dbraw/zinc/49/80/91/521498091.db2.gz SPQCIBJDLCPWFL-SJORKVTESA-N 1 3 364.534 2.924 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)o1 ZINC000615672305 521498097 /nfs/dbraw/zinc/49/80/97/521498097.db2.gz SPQCIBJDLCPWFL-SJORKVTESA-N 1 3 364.534 2.924 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000594291722 521540819 /nfs/dbraw/zinc/54/08/19/521540819.db2.gz PKVRUVRGPJPTCY-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000594291719 521541123 /nfs/dbraw/zinc/54/11/23/521541123.db2.gz PKVRUVRGPJPTCY-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594316849 521554068 /nfs/dbraw/zinc/55/40/68/521554068.db2.gz BWOPFURAWOKBBO-OTWHNJEPSA-N 1 3 350.551 2.909 20 0 FFADHO COc1cc(NC(=O)CC[N@@H+]2CCCCC[C@H](N)C2)c(OC)cc1Cl ZINC000631834408 521753976 /nfs/dbraw/zinc/75/39/76/521753976.db2.gz WVQAJVCMZIMKLX-ZDUSSCGKSA-N 1 3 369.893 2.889 20 0 FFADHO COc1cc(NC(=O)CC[N@H+]2CCCCC[C@H](N)C2)c(OC)cc1Cl ZINC000631834408 521753981 /nfs/dbraw/zinc/75/39/81/521753981.db2.gz WVQAJVCMZIMKLX-ZDUSSCGKSA-N 1 3 369.893 2.889 20 0 FFADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000625893403 521766721 /nfs/dbraw/zinc/76/67/21/521766721.db2.gz RTDHBIHCTBUGJV-SWLSCSKDSA-N 1 3 366.893 2.685 20 0 FFADHO C[C@H]1CCCN(Cc2ccccc2C[NH2+][C@H]2CCCS(=O)(=O)CC2)C1 ZINC000634953148 521830986 /nfs/dbraw/zinc/83/09/86/521830986.db2.gz SMRKFZBDFNYZGS-PXNSSMCTSA-N 1 3 364.555 2.975 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000635003308 521860599 /nfs/dbraw/zinc/86/05/99/521860599.db2.gz BUGWBKHHCGRKLC-FUHWJXTLSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)cc1 ZINC000635003308 521860610 /nfs/dbraw/zinc/86/06/10/521860610.db2.gz BUGWBKHHCGRKLC-FUHWJXTLSA-N 1 3 355.482 2.962 20 0 FFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635004700 521862308 /nfs/dbraw/zinc/86/23/08/521862308.db2.gz GBTHLCFOPIWHMG-UZKOGDIHSA-N 1 3 352.526 2.842 20 0 FFADHO COCCc1nc(C)c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000635009318 521864174 /nfs/dbraw/zinc/86/41/74/521864174.db2.gz MYVSDEOCBGWFML-ZDUSSCGKSA-N 1 3 361.515 2.618 20 0 FFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000635011126 521864612 /nfs/dbraw/zinc/86/46/12/521864612.db2.gz XRPGEBGILHDLEL-QGZVFWFLSA-N 1 3 367.497 2.501 20 0 FFADHO CN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000623355284 521960484 /nfs/dbraw/zinc/96/04/84/521960484.db2.gz IICHDWUXWDIIRB-NRFANRHFSA-N 1 3 358.574 2.657 20 0 FFADHO CN1CCN(CCC[NH2+][C@H]2CCN(C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623355308 521960747 /nfs/dbraw/zinc/96/07/47/521960747.db2.gz IZUPMDRPSILBJY-SFTDATJTSA-N 1 3 358.574 2.828 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000623409127 522001216 /nfs/dbraw/zinc/00/12/16/522001216.db2.gz QQDZPOOFXLPTHW-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000623409127 522001225 /nfs/dbraw/zinc/00/12/25/522001225.db2.gz QQDZPOOFXLPTHW-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623493836 522067447 /nfs/dbraw/zinc/06/74/47/522067447.db2.gz SVWLWSUPXNNMEW-WSTZPKSXSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623493836 522067455 /nfs/dbraw/zinc/06/74/55/522067455.db2.gz SVWLWSUPXNNMEW-WSTZPKSXSA-N 1 3 358.530 2.853 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CC[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000620304834 522171625 /nfs/dbraw/zinc/17/16/25/522171625.db2.gz YUIKHFOZQKBXBV-GOSISDBHSA-N 1 3 358.530 2.855 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623629083 522174588 /nfs/dbraw/zinc/17/45/88/522174588.db2.gz LMLPOLDVANQPQV-FCHUYYIVSA-N 1 3 367.537 2.888 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623629083 522174595 /nfs/dbraw/zinc/17/45/95/522174595.db2.gz LMLPOLDVANQPQV-FCHUYYIVSA-N 1 3 367.537 2.888 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000620550144 522289504 /nfs/dbraw/zinc/28/95/04/522289504.db2.gz IRZCAEBXBQOBJB-IBGZPJMESA-N 1 3 360.546 2.943 20 0 FFADHO O[C@@H](CNCC1(c2ccc(Br)cc2)CCC1)C[NH+]1CCCC1 ZINC000629557894 522311410 /nfs/dbraw/zinc/31/14/10/522311410.db2.gz IHQBJOVSXNEXCN-KRWDZBQOSA-N 1 3 367.331 2.917 20 0 FFADHO COc1ccc(-c2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000629591358 522339850 /nfs/dbraw/zinc/33/98/50/522339850.db2.gz GAHDHEPUFBDTJC-LJQANCHMSA-N 1 3 371.481 2.941 20 0 FFADHO O[C@H](CNCC/C=C\c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000629596182 522341935 /nfs/dbraw/zinc/34/19/35/522341935.db2.gz FIKGFXHPSATFTG-QHSZDNJZSA-N 1 3 353.304 2.899 20 0 FFADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000632868249 522343944 /nfs/dbraw/zinc/34/39/44/522343944.db2.gz PPJIQMZASGIXLQ-CFVMTHIKSA-N 1 3 356.388 2.898 20 0 FFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892932 522352529 /nfs/dbraw/zinc/35/25/29/522352529.db2.gz AGJGKQWNICKIRH-MJGOQNOKSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892932 522352540 /nfs/dbraw/zinc/35/25/40/522352540.db2.gz AGJGKQWNICKIRH-MJGOQNOKSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892932 522352545 /nfs/dbraw/zinc/35/25/45/522352545.db2.gz AGJGKQWNICKIRH-MJGOQNOKSA-N 1 3 367.541 2.906 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000635639598 522414877 /nfs/dbraw/zinc/41/48/77/522414877.db2.gz BTYIPZZPAUCMBI-IRLDBZIGSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000635639598 522414885 /nfs/dbraw/zinc/41/48/85/522414885.db2.gz BTYIPZZPAUCMBI-IRLDBZIGSA-N 1 3 355.526 2.843 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000620768828 522421484 /nfs/dbraw/zinc/42/14/84/522421484.db2.gz ABSRWFLQYRKCJJ-PCCBWWKXSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000620768828 522421491 /nfs/dbraw/zinc/42/14/91/522421491.db2.gz ABSRWFLQYRKCJJ-PCCBWWKXSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635650951 522422659 /nfs/dbraw/zinc/42/26/59/522422659.db2.gz GIPSJWKRHOSULY-ICSRJNTNSA-N 1 3 355.526 2.889 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000632956426 522426336 /nfs/dbraw/zinc/42/63/36/522426336.db2.gz WDKCMWRIRBAMPW-IBGZPJMESA-N 1 3 372.513 2.830 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(OCCN(C)C)cc1 ZINC000624194745 522536218 /nfs/dbraw/zinc/53/62/18/522536218.db2.gz OWTDSDKESVDKTG-VMRPVKRXSA-N 1 3 371.481 2.908 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)N2CCCC2)cc1 ZINC000626957355 522554456 /nfs/dbraw/zinc/55/44/56/522554456.db2.gz NWLIQRFFDWBLAI-FCEUIQTBSA-N 1 3 370.541 2.773 20 0 FFADHO CN(CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000629970200 522555336 /nfs/dbraw/zinc/55/53/36/522555336.db2.gz ZPJXQTQKZXASAS-UHFFFAOYSA-N 1 3 373.541 2.658 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000627038148 522610729 /nfs/dbraw/zinc/61/07/29/522610729.db2.gz ZFNCMJXRZRYCFR-RTBURBONSA-N 1 3 374.529 2.660 20 0 FFADHO O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C1CCC1 ZINC000624345233 522619497 /nfs/dbraw/zinc/61/94/97/522619497.db2.gz ZTTTVWOEZGLMOU-GFOJFJKKSA-N 1 3 353.510 2.925 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](C)[C@@H](CO)C3)c2)C[C@H]1CO ZINC000621370728 522807106 /nfs/dbraw/zinc/80/71/06/522807106.db2.gz PTMMEFHAGQOCDF-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](C)[C@@H](CO)C3)c2)C[C@H]1CO ZINC000621370728 522807113 /nfs/dbraw/zinc/80/71/13/522807113.db2.gz PTMMEFHAGQOCDF-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](C)[C@@H](CO)C3)c2)C[C@H]1CO ZINC000621370728 522807119 /nfs/dbraw/zinc/80/71/19/522807119.db2.gz PTMMEFHAGQOCDF-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](C)[C@@H](CO)C3)c2)C[C@H]1CO ZINC000621370728 522807123 /nfs/dbraw/zinc/80/71/23/522807123.db2.gz PTMMEFHAGQOCDF-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624617055 522824527 /nfs/dbraw/zinc/82/45/27/522824527.db2.gz VHCKDDRRCUZCMT-FQEVSTJZSA-N 1 3 372.557 2.944 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624617055 522824532 /nfs/dbraw/zinc/82/45/32/522824532.db2.gz VHCKDDRRCUZCMT-FQEVSTJZSA-N 1 3 372.557 2.944 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC[N@@H+]1C ZINC000630525685 522911303 /nfs/dbraw/zinc/91/13/03/522911303.db2.gz HVTHLRSVGJPMNZ-AZUAARDMSA-N 1 3 358.530 2.806 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC[N@H+]1C ZINC000630525685 522911313 /nfs/dbraw/zinc/91/13/13/522911313.db2.gz HVTHLRSVGJPMNZ-AZUAARDMSA-N 1 3 358.530 2.806 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621690894 523021760 /nfs/dbraw/zinc/02/17/60/523021760.db2.gz ZKODNEMCNUDCMM-HMFYCAOWSA-N 1 3 371.525 2.893 20 0 FFADHO CN1CCC(n2cc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cn2)CC1 ZINC000634092694 523179228 /nfs/dbraw/zinc/17/92/28/523179228.db2.gz ZDISGJITBDSOSB-INIZCTEOSA-N 1 3 359.518 2.743 20 0 FFADHO CN1CCC(n2cc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cn2)CC1 ZINC000634092694 523179232 /nfs/dbraw/zinc/17/92/32/523179232.db2.gz ZDISGJITBDSOSB-INIZCTEOSA-N 1 3 359.518 2.743 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3Cc4ccc(Cl)cc43)CC2)CC1 ZINC000630863410 523197182 /nfs/dbraw/zinc/19/71/82/523197182.db2.gz VVDUFCSJTRDASV-IBGZPJMESA-N 1 3 361.917 2.655 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)C(F)(F)[C@@H](C)C3)CC2)CC1 ZINC000628400207 523534101 /nfs/dbraw/zinc/53/41/01/523534101.db2.gz ZRKHQKCXYBHQJQ-IYBDPMFKSA-N 1 3 371.516 2.932 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637373046 523593342 /nfs/dbraw/zinc/59/33/42/523593342.db2.gz NVKLDJJPNAPMRJ-HXUWFJFHSA-N 1 3 373.545 2.562 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637373046 523593351 /nfs/dbraw/zinc/59/33/51/523593351.db2.gz NVKLDJJPNAPMRJ-HXUWFJFHSA-N 1 3 373.545 2.562 20 0 FFADHO CN(C)Cc1cccc(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000631492692 523650917 /nfs/dbraw/zinc/65/09/17/523650917.db2.gz CODHXVXQYSOVJZ-UHFFFAOYSA-N 1 3 356.474 2.855 20 0 FFADHO Cc1cc2[nH]ccc2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001164771739 721148468 /nfs/dbraw/zinc/14/84/68/721148468.db2.gz SUFKBWMQIUWXFU-IAGOWNOFSA-N 1 3 350.470 2.563 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=S)NC2CCN(C)CC2)CC1 ZINC000063149513 728134554 /nfs/dbraw/zinc/13/45/54/728134554.db2.gz HISTUIYPUPBHKN-UHFFFAOYSA-N 1 3 360.571 2.518 20 0 FFADHO Cn1ncc(Cl)c1CNCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000130559507 728719468 /nfs/dbraw/zinc/71/94/68/728719468.db2.gz PASZCOVWLYBRIE-UHFFFAOYSA-N 1 3 361.921 2.766 20 0 FFADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169225148 728980747 /nfs/dbraw/zinc/98/07/47/728980747.db2.gz JKWGGQPUISEQCE-KBXCAEBGSA-N 1 3 367.921 2.673 20 0 FFADHO CCc1nn(C)c(Cl)c1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000180795904 729224671 /nfs/dbraw/zinc/22/46/71/729224671.db2.gz OZAZGLQHUGXGNP-UHFFFAOYSA-N 1 3 368.953 2.960 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000261626294 729651112 /nfs/dbraw/zinc/65/11/12/729651112.db2.gz GRIXVYGOBDDCLZ-CYBMUJFWSA-N 1 3 361.433 2.585 20 0 FFADHO COc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1Br ZINC000638482394 730029532 /nfs/dbraw/zinc/02/95/32/730029532.db2.gz RJYPLZWHWAFRCD-UHFFFAOYSA-N 1 3 371.319 2.783 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638554450 730033043 /nfs/dbraw/zinc/03/30/43/730033043.db2.gz FKZBDVNYTHXABV-CYBMUJFWSA-N 1 3 359.345 2.939 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000638720498 730040897 /nfs/dbraw/zinc/04/08/97/730040897.db2.gz JOHBBLPEFVDSNP-KRWDZBQOSA-N 1 3 351.922 2.744 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924951378 738465399 /nfs/dbraw/zinc/46/53/99/738465399.db2.gz LUCKYAZOTHJQPK-YJBOKZPZSA-N 1 3 350.938 2.976 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859152108 730443389 /nfs/dbraw/zinc/44/33/89/730443389.db2.gz KRUUYEKCHYEJHU-QGZVFWFLSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859152108 730443390 /nfs/dbraw/zinc/44/33/90/730443390.db2.gz KRUUYEKCHYEJHU-QGZVFWFLSA-N 1 3 351.535 2.907 20 0 FFADHO CC[NH+]1CCC(N2CCCN(CCc3c(F)cccc3F)CC2)CC1 ZINC000645929063 730619756 /nfs/dbraw/zinc/61/97/56/730619756.db2.gz JRFPWKYXSSCTND-UHFFFAOYSA-N 1 3 351.485 2.999 20 0 FFADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862274341 730684790 /nfs/dbraw/zinc/68/47/90/730684790.db2.gz KCEVWMSLAVNBAO-HZPDHXFCSA-N 1 3 355.523 2.680 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862274341 730684791 /nfs/dbraw/zinc/68/47/91/730684791.db2.gz KCEVWMSLAVNBAO-HZPDHXFCSA-N 1 3 355.523 2.680 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862274341 730684794 /nfs/dbraw/zinc/68/47/94/730684794.db2.gz KCEVWMSLAVNBAO-HZPDHXFCSA-N 1 3 355.523 2.680 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C(F)(F)F)CC2)CC1 ZINC000913019243 737369072 /nfs/dbraw/zinc/36/90/72/737369072.db2.gz XDGGHVPYXDRZIP-INIZCTEOSA-N 1 3 361.452 2.736 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3cccc(Br)c3F)C2)CC1 ZINC000648450361 730809829 /nfs/dbraw/zinc/80/98/29/730809829.db2.gz DCLGYINVKGWLFD-AWEZNQCLSA-N 1 3 370.310 2.846 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCN3CCOC[C@@H]3C)C2)s1 ZINC000649603411 730899199 /nfs/dbraw/zinc/89/91/99/730899199.db2.gz LOJNKLNQXUADIG-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCN3CCOC[C@@H]3C)C2)s1 ZINC000649603411 730899202 /nfs/dbraw/zinc/89/92/02/730899202.db2.gz LOJNKLNQXUADIG-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCN3CCOC[C@@H]3C)C2)s1 ZINC000649603411 730899204 /nfs/dbraw/zinc/89/92/04/730899204.db2.gz LOJNKLNQXUADIG-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCN3CCOC[C@@H]3C)C2)s1 ZINC000649603411 730899207 /nfs/dbraw/zinc/89/92/07/730899207.db2.gz LOJNKLNQXUADIG-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865412860 730951797 /nfs/dbraw/zinc/95/17/97/730951797.db2.gz VNKQORMYKNRFTN-UHFFFAOYSA-N 1 3 363.399 2.842 20 0 FFADHO COc1cc(OC)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000651721089 731121505 /nfs/dbraw/zinc/12/15/05/731121505.db2.gz SBLKMYYZVRGQKG-HUUCEWRRSA-N 1 3 354.466 2.822 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925495585 738510864 /nfs/dbraw/zinc/51/08/64/738510864.db2.gz ZEYBMFCQFQQCQC-RBUKOAKNSA-N 1 3 350.528 2.608 20 0 FFADHO C[C@H](NCCCCCN1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000925847917 738536145 /nfs/dbraw/zinc/53/61/45/738536145.db2.gz WSRKSKRAJIKUOJ-ZDUSSCGKSA-N 1 3 373.314 2.709 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCSc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925852764 738537257 /nfs/dbraw/zinc/53/72/57/738537257.db2.gz IEDZVMUCOCPKQS-DZGCQCFKSA-N 1 3 350.459 2.638 20 0 FFADHO C[C@H]1C[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccsc2S1 ZINC000925855993 738537849 /nfs/dbraw/zinc/53/78/49/738537849.db2.gz WCMFFUXPVFOITR-OBJOEFQTSA-N 1 3 352.525 2.948 20 0 FFADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000873234829 731894506 /nfs/dbraw/zinc/89/45/06/731894506.db2.gz IHDATFOVFVIXQF-IXDOHACOSA-N 1 3 354.441 2.903 20 0 FFADHO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000659015842 731936906 /nfs/dbraw/zinc/93/69/06/731936906.db2.gz LBICTOJSLZXCKU-GFCCVEGCSA-N 1 3 354.882 2.542 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000662505597 732326013 /nfs/dbraw/zinc/32/60/13/732326013.db2.gz XZBBJPBMTFCCGY-INIZCTEOSA-N 1 3 355.473 2.866 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](N)CC(F)F ZINC000662871340 732363272 /nfs/dbraw/zinc/36/32/72/732363272.db2.gz XZNOBGUTDNHTAH-HNNXBMFYSA-N 1 3 361.864 2.993 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000665637434 732734106 /nfs/dbraw/zinc/73/41/06/732734106.db2.gz CVHSQBIIQRPEBH-DOTOQJQBSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000665637434 732734111 /nfs/dbraw/zinc/73/41/11/732734111.db2.gz CVHSQBIIQRPEBH-DOTOQJQBSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857665 732909194 /nfs/dbraw/zinc/90/91/94/732909194.db2.gz DJBYJIMLDDNGEW-GXTWGEPZSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(C2CCC2)cs1 ZINC000667020697 732932076 /nfs/dbraw/zinc/93/20/76/732932076.db2.gz ILFSBUWRVPGALS-ZDUSSCGKSA-N 1 3 353.536 2.804 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(C2CCC2)cs1 ZINC000667020697 732932084 /nfs/dbraw/zinc/93/20/84/732932084.db2.gz ILFSBUWRVPGALS-ZDUSSCGKSA-N 1 3 353.536 2.804 20 0 FFADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000668660897 733150752 /nfs/dbraw/zinc/15/07/52/733150752.db2.gz FNULMHCZAMPHPZ-NVXWUHKLSA-N 1 3 364.559 2.962 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669573418 733248213 /nfs/dbraw/zinc/24/82/13/733248213.db2.gz IJJRSXVOACMZMT-BZSNNMDCSA-N 1 3 350.551 2.528 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000672943026 733572601 /nfs/dbraw/zinc/57/26/01/733572601.db2.gz QYRQQCCPSKJTLV-MSOLQXFVSA-N 1 3 350.482 2.602 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1C2CCC1(C[NH3+])CC2)c1ccsc1 ZINC000891349900 734417373 /nfs/dbraw/zinc/41/73/73/734417373.db2.gz XGMDMCTUTBBNTM-PQUAAJSLSA-N 1 3 350.532 2.796 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1ccsc1 ZINC000891347808 734417452 /nfs/dbraw/zinc/41/74/52/734417452.db2.gz IXTCBFHKIBPKFW-BRWVUGGUSA-N 1 3 350.532 2.667 20 0 FFADHO O[C@H](CN1CCCC1)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000731532276 734683672 /nfs/dbraw/zinc/68/36/72/734683672.db2.gz NHWXGKYYARQANG-RTBURBONSA-N 1 3 352.906 2.542 20 0 FFADHO C[C@H]1C[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000741503361 735148655 /nfs/dbraw/zinc/14/86/55/735148655.db2.gz ARBYUUCHWSBPAJ-LPHOPBHVSA-N 1 3 360.571 2.598 20 0 FFADHO C[C@H]1C[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741503361 735148657 /nfs/dbraw/zinc/14/86/57/735148657.db2.gz ARBYUUCHWSBPAJ-LPHOPBHVSA-N 1 3 360.571 2.598 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897547857 735245689 /nfs/dbraw/zinc/24/56/89/735245689.db2.gz KIWGIIPDNSOQIZ-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897547857 735245695 /nfs/dbraw/zinc/24/56/95/735245695.db2.gz KIWGIIPDNSOQIZ-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO [NH3+]CCCC[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1F ZINC000902389654 735941325 /nfs/dbraw/zinc/94/13/25/735941325.db2.gz ZAQJDJDJJXKOBQ-FCEWJHQRSA-N 1 3 353.457 2.588 20 0 FFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(C4(O)CCOCC4)CC3)CC2)C1 ZINC000903349764 736078811 /nfs/dbraw/zinc/07/88/11/736078811.db2.gz KICSGFLZYCZREB-PKOBYXMFSA-N 1 3 350.547 2.941 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903761659 736163687 /nfs/dbraw/zinc/16/36/87/736163687.db2.gz YWUQETBRRRPBKD-LVQVYYBASA-N 1 3 350.425 2.705 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000903842775 736173515 /nfs/dbraw/zinc/17/35/15/736173515.db2.gz UNQDQIITRRCTGJ-LOHUMSBYSA-N 1 3 364.287 2.514 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccco3)s1)C2 ZINC000922389177 738135401 /nfs/dbraw/zinc/13/54/01/738135401.db2.gz HRNOYKUJTPCUPE-LFEHRJTNSA-N 1 3 361.511 2.972 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccco3)s1)C2 ZINC000922389177 738135404 /nfs/dbraw/zinc/13/54/04/738135404.db2.gz HRNOYKUJTPCUPE-LFEHRJTNSA-N 1 3 361.511 2.972 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)cc(OC)c3)C2)[C@@H]1C(C)C ZINC000922395398 738137590 /nfs/dbraw/zinc/13/75/90/738137590.db2.gz XFVAOWNUCDCUEK-ZRNYENFQSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)cc(OC)c3)C2)[C@@H]1C(C)C ZINC000922395398 738137592 /nfs/dbraw/zinc/13/75/92/738137592.db2.gz XFVAOWNUCDCUEK-ZRNYENFQSA-N 1 3 350.478 2.794 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2COC3(CCCCC3)O2)[C@H](C)C1 ZINC000776169940 738167521 /nfs/dbraw/zinc/16/75/21/738167521.db2.gz FZNYJIFIQYQRTR-QYZOEREBSA-N 1 3 354.535 2.789 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2COC3(CCCCC3)O2)[C@H](C)C1 ZINC000776169940 738167522 /nfs/dbraw/zinc/16/75/22/738167522.db2.gz FZNYJIFIQYQRTR-QYZOEREBSA-N 1 3 354.535 2.789 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)ccc1OC ZINC000786950704 739092108 /nfs/dbraw/zinc/09/21/08/739092108.db2.gz PLKVMTHMCSRKSC-OAHLLOKOSA-N 1 3 368.543 2.622 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796318060 740131908 /nfs/dbraw/zinc/13/19/08/740131908.db2.gz VYPFNCWPXFGNHY-UHFFFAOYSA-N 1 3 370.328 2.757 20 0 FFADHO CN1CCC(NC(=S)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000799507931 740424585 /nfs/dbraw/zinc/42/45/85/740424585.db2.gz WYMCJJNGNJKVRW-UHFFFAOYSA-N 1 3 352.592 2.591 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(CCCc3ccsc3)CC2(C)C)CC[N@@H+]1C ZINC000974603477 740885824 /nfs/dbraw/zinc/88/58/24/740885824.db2.gz CCFJSGOSCFXCIK-NXHRZFHOSA-N 1 3 363.571 2.848 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(CCCc3ccsc3)CC2(C)C)CC[N@H+]1C ZINC000974603477 740885825 /nfs/dbraw/zinc/88/58/25/740885825.db2.gz CCFJSGOSCFXCIK-NXHRZFHOSA-N 1 3 363.571 2.848 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=S)NCC[NH+](C)C)N(C)C)cc1 ZINC000806602880 741073694 /nfs/dbraw/zinc/07/36/94/741073694.db2.gz CZUCCRBPPOPHCT-SFHVURJKSA-N 1 3 350.576 2.514 20 0 FFADHO CN(C)Cc1cnc(CN2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000809637679 741324951 /nfs/dbraw/zinc/32/49/51/741324951.db2.gz ZADLSHLVFCFWDF-UHFFFAOYSA-N 1 3 366.575 2.529 20 0 FFADHO C[N@H+](C[C@H](O)CN1CCC[C@H]1Cc1ccc(Br)cc1)C1CC1 ZINC000809936981 741363947 /nfs/dbraw/zinc/36/39/47/741363947.db2.gz SVBIPPOSKMELBQ-ROUUACIJSA-N 1 3 367.331 2.911 20 0 FFADHO C[N@@H+](C[C@H](O)CN1CCC[C@H]1Cc1ccc(Br)cc1)C1CC1 ZINC000809936981 741363948 /nfs/dbraw/zinc/36/39/48/741363948.db2.gz SVBIPPOSKMELBQ-ROUUACIJSA-N 1 3 367.331 2.911 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3cc(C)ns3)CC2)CC[N@@H+]1C ZINC000985440226 741396458 /nfs/dbraw/zinc/39/64/58/741396458.db2.gz JCSVYKWZYNOAOP-ZWKOTPCHSA-N 1 3 364.559 2.605 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3cc(C)ns3)CC2)CC[N@H+]1C ZINC000985440226 741396462 /nfs/dbraw/zinc/39/64/62/741396462.db2.gz JCSVYKWZYNOAOP-ZWKOTPCHSA-N 1 3 364.559 2.605 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3nc(C)cs3)CC2)CC[N@@H+]1C ZINC000997792497 742025129 /nfs/dbraw/zinc/02/51/29/742025129.db2.gz HGXNWNJINNWOSX-DLBZAZTESA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3nc(C)cs3)CC2)CC[N@H+]1C ZINC000997792497 742025133 /nfs/dbraw/zinc/02/51/33/742025133.db2.gz HGXNWNJINNWOSX-DLBZAZTESA-N 1 3 364.559 2.510 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998020994 742029924 /nfs/dbraw/zinc/02/99/24/742029924.db2.gz ZPXXQUOHEFWUEG-OWCLPIDISA-N 1 3 363.468 2.982 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998020994 742029930 /nfs/dbraw/zinc/02/99/30/742029930.db2.gz ZPXXQUOHEFWUEG-OWCLPIDISA-N 1 3 363.468 2.982 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC000998796525 742046051 /nfs/dbraw/zinc/04/60/51/742046051.db2.gz PNWDFWBLRBMXGK-BOSFTKNMSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC000998796525 742046054 /nfs/dbraw/zinc/04/60/54/742046054.db2.gz PNWDFWBLRBMXGK-BOSFTKNMSA-N 1 3 367.896 2.898 20 0 FFADHO CC[C@@H](F)CN1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000158083 742078474 /nfs/dbraw/zinc/07/84/74/742078474.db2.gz PLSLICUMKPKKBX-FGTMMUONSA-N 1 3 353.526 2.826 20 0 FFADHO CC[C@@H](F)CN1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000158083 742078479 /nfs/dbraw/zinc/07/84/79/742078479.db2.gz PLSLICUMKPKKBX-FGTMMUONSA-N 1 3 353.526 2.826 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cccc4nsnc43)CC2)CC1 ZINC000817285461 742117012 /nfs/dbraw/zinc/11/70/12/742117012.db2.gz LBAKTUDLBVGZSZ-UHFFFAOYSA-N 1 3 359.543 2.683 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000817570114 742170845 /nfs/dbraw/zinc/17/08/45/742170845.db2.gz WOCNNXCVCBONAT-LJQANCHMSA-N 1 3 360.571 2.552 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000817570114 742170847 /nfs/dbraw/zinc/17/08/47/742170847.db2.gz WOCNNXCVCBONAT-LJQANCHMSA-N 1 3 360.571 2.552 20 0 FFADHO COc1cc(C)c([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000817972506 742225343 /nfs/dbraw/zinc/22/53/43/742225343.db2.gz MFLWNHCXHDACCG-RHSMWYFYSA-N 1 3 359.436 2.799 20 0 FFADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000819060360 742331947 /nfs/dbraw/zinc/33/19/47/742331947.db2.gz HFVMSPBXZLFGCK-YJBOKZPZSA-N 1 3 356.869 2.746 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000819084269 742336110 /nfs/dbraw/zinc/33/61/10/742336110.db2.gz LSKQGBJIGIEINC-UGSOOPFHSA-N 1 3 356.869 2.603 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cc(Cl)ccc3F)C2)CC[N@@H+]1C ZINC001022104986 742643673 /nfs/dbraw/zinc/64/36/73/742643673.db2.gz JUVFVAHDJFBMEL-BQDHKBFISA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cc(Cl)ccc3F)C2)CC[N@H+]1C ZINC001022104986 742643677 /nfs/dbraw/zinc/64/36/77/742643677.db2.gz JUVFVAHDJFBMEL-BQDHKBFISA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2CCCc2ccsc2)CC[N@@H+]1C ZINC001024446728 742726903 /nfs/dbraw/zinc/72/69/03/742726903.db2.gz IJYICIFSWFKZEC-NZSAHSFTSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2CCCc2ccsc2)CC[N@H+]1C ZINC001024446728 742726908 /nfs/dbraw/zinc/72/69/08/742726908.db2.gz IJYICIFSWFKZEC-NZSAHSFTSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3ccncc3Cl)CC2)CC[N@@H+]1C ZINC001034647410 742928618 /nfs/dbraw/zinc/92/86/18/742928618.db2.gz HJWCAUBLPMSJGR-MWQQHZPXSA-N 1 3 364.921 2.592 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3ccncc3Cl)CC2)CC[N@H+]1C ZINC001034647410 742928620 /nfs/dbraw/zinc/92/86/20/742928620.db2.gz HJWCAUBLPMSJGR-MWQQHZPXSA-N 1 3 364.921 2.592 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000827814435 744983240 /nfs/dbraw/zinc/98/32/40/744983240.db2.gz DOJMKDRZJIXERE-MRXNPFEDSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc(Cl)n1 ZINC000831230114 745502996 /nfs/dbraw/zinc/50/29/96/745502996.db2.gz DORBFWHUDXTABK-ZBFHGGJFSA-N 1 3 352.910 2.527 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc(Cl)n1 ZINC000831230114 745502999 /nfs/dbraw/zinc/50/29/99/745502999.db2.gz DORBFWHUDXTABK-ZBFHGGJFSA-N 1 3 352.910 2.527 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000831875778 745598088 /nfs/dbraw/zinc/59/80/88/745598088.db2.gz BJZGXDOZUKLAON-CJNGLKHVSA-N 1 3 352.910 2.622 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000844176466 747983886 /nfs/dbraw/zinc/98/38/86/747983886.db2.gz SZWGTVCVSXZJAS-INIZCTEOSA-N 1 3 352.910 2.766 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@@H]3CN(C4CC4)C(=O)O3)C2)s1 ZINC000844327328 748005995 /nfs/dbraw/zinc/00/59/95/748005995.db2.gz PTFQVBLCUUWYCC-NVXWUHKLSA-N 1 3 363.527 2.793 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@@H]3CN(C4CC4)C(=O)O3)C2)s1 ZINC000844327328 748006002 /nfs/dbraw/zinc/00/60/02/748006002.db2.gz PTFQVBLCUUWYCC-NVXWUHKLSA-N 1 3 363.527 2.793 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Cl)nc3)CC2)CC1 ZINC000847315604 748675129 /nfs/dbraw/zinc/67/51/29/748675129.db2.gz NYHYETHRNNWVAA-UHFFFAOYSA-N 1 3 350.894 2.870 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C)c1Br ZINC000849088799 749047989 /nfs/dbraw/zinc/04/79/89/749047989.db2.gz RHSZZYVTDNTKRQ-AWEZNQCLSA-N 1 3 353.308 2.856 20 0 FFADHO CCOC(=O)NC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000850442741 749365887 /nfs/dbraw/zinc/36/58/87/749365887.db2.gz HEWVHTPKQRWMHJ-OQSMONGASA-N 1 3 355.523 2.523 20 0 FFADHO FC1(F)[C@@H]2CCCO[C@@]21CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000854229862 750266009 /nfs/dbraw/zinc/26/60/09/750266009.db2.gz YNKJQRGYAZYCCA-DDBAPUKQSA-N 1 3 350.409 2.646 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001104803555 970859946 /nfs/dbraw/zinc/85/99/46/970859946.db2.gz UMPPFLIOAJKYQR-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000895969977 971119437 /nfs/dbraw/zinc/11/94/37/971119437.db2.gz BJFNGVIEMJQUHY-PXNSSMCTSA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000895969977 971119445 /nfs/dbraw/zinc/11/94/45/971119445.db2.gz BJFNGVIEMJQUHY-PXNSSMCTSA-N 1 3 361.530 2.971 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(OC)c2)C1 ZINC001104937873 971184820 /nfs/dbraw/zinc/18/48/20/971184820.db2.gz KOEUMGBNLUUXRW-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC([NH2+]C4CCC4)CC3)C2)cc1 ZINC000896141663 971264233 /nfs/dbraw/zinc/26/42/33/971264233.db2.gz OTEQKICVVORLSL-NRFANRHFSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccc(F)c(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)c1 ZINC001087970738 971422773 /nfs/dbraw/zinc/42/27/73/971422773.db2.gz MXSGTZRVHBQGCN-IZBJGVDFSA-N 1 3 373.516 2.755 20 0 FFADHO Cc1ccc(F)c(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)c1 ZINC001087970738 971422779 /nfs/dbraw/zinc/42/27/79/971422779.db2.gz MXSGTZRVHBQGCN-IZBJGVDFSA-N 1 3 373.516 2.755 20 0 FFADHO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001105064417 971437475 /nfs/dbraw/zinc/43/74/75/971437475.db2.gz NWKRTBDUFCGUFL-IEBWSBKVSA-N 1 3 361.530 2.610 20 0 FFADHO CCCCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001105066919 971446413 /nfs/dbraw/zinc/44/64/13/971446413.db2.gz GJVIXAIJPBWCRN-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087992686 971736133 /nfs/dbraw/zinc/73/61/33/971736133.db2.gz HBTZEJBZICNXRP-QLECMMPSSA-N 1 3 367.537 2.820 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087992686 971736137 /nfs/dbraw/zinc/73/61/37/971736137.db2.gz HBTZEJBZICNXRP-QLECMMPSSA-N 1 3 367.537 2.820 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cs1 ZINC001087993329 971737620 /nfs/dbraw/zinc/73/76/20/971737620.db2.gz KPFUDNXNEAJUMT-CEXWTWQISA-N 1 3 361.555 2.677 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cs1 ZINC001087993329 971737631 /nfs/dbraw/zinc/73/76/31/971737631.db2.gz KPFUDNXNEAJUMT-CEXWTWQISA-N 1 3 361.555 2.677 20 0 FFADHO CNC(=O)CC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093588690 971921258 /nfs/dbraw/zinc/92/12/58/971921258.db2.gz DZKOZPNKQBEOQM-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1 ZINC000093741477 971966335 /nfs/dbraw/zinc/96/63/35/971966335.db2.gz GAXFFSWKQXEYBO-UHFFFAOYSA-N 1 3 359.514 2.604 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652137898 972382943 /nfs/dbraw/zinc/38/29/43/972382943.db2.gz ZZCVEQFUHRDHPT-LYSIVYOWSA-N 1 3 356.514 2.592 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000654829944 958999440 /nfs/dbraw/zinc/99/94/40/958999440.db2.gz FRAJCYYWOIBRAL-UNMCSNQZSA-N 1 3 369.553 2.930 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)C2 ZINC000660654304 972443497 /nfs/dbraw/zinc/44/34/97/972443497.db2.gz GMTVECUAQXJQRO-KSEOMHKRSA-N 1 3 358.526 2.859 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)C2 ZINC000660654304 972443500 /nfs/dbraw/zinc/44/35/00/972443500.db2.gz GMTVECUAQXJQRO-KSEOMHKRSA-N 1 3 358.526 2.859 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1cccc(OC)c1 ZINC000655443139 959959615 /nfs/dbraw/zinc/95/96/15/959959615.db2.gz BJRYGQWTQQTIFE-ZVDOUQERSA-N 1 3 359.514 2.584 20 0 FFADHO c1ccc(CN(Cc2ccccc2)C2(C[NH2+][C@H]3CCCNC3)COC2)cc1 ZINC000705614853 960126164 /nfs/dbraw/zinc/12/61/64/960126164.db2.gz CZQAZSCNXQYDNW-QFIPXVFZSA-N 1 3 365.521 2.799 20 0 FFADHO COc1cccc([C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N(C)C)c1 ZINC000655679700 961055801 /nfs/dbraw/zinc/05/58/01/961055801.db2.gz FHAHAOOPDMLOHG-NHCUHLMSSA-N 1 3 361.530 2.531 20 0 FFADHO c1ccc(CN2CCC[C@H](C[NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655703813 961116256 /nfs/dbraw/zinc/11/62/56/961116256.db2.gz VYOVATYSEDBHPL-IFMALSPDSA-N 1 3 357.542 2.742 20 0 FFADHO Cc1ccc([C@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000655704742 961118173 /nfs/dbraw/zinc/11/81/73/961118173.db2.gz JZVUBMSMIJGKIF-PMACEKPBSA-N 1 3 361.530 2.958 20 0 FFADHO Cc1ccc([C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000655704742 961118180 /nfs/dbraw/zinc/11/81/80/961118180.db2.gz JZVUBMSMIJGKIF-PMACEKPBSA-N 1 3 361.530 2.958 20 0 FFADHO Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)s1 ZINC001104287388 961818013 /nfs/dbraw/zinc/81/80/13/961818013.db2.gz FFJYTUCIRZOFAP-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ccccc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291525 962338639 /nfs/dbraw/zinc/33/86/39/962338639.db2.gz NZIDSVLRHSQTFP-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1ccccc1F ZINC001104291614 962341361 /nfs/dbraw/zinc/34/13/61/962341361.db2.gz QGGZLXKWYBCNLV-XFQXTVEOSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCc1cccs1 ZINC001104292093 962349797 /nfs/dbraw/zinc/34/97/97/962349797.db2.gz KBPOHCAERJUTGX-SUMDDJOVSA-N 1 3 363.571 2.705 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000649360446 1013373158 /nfs/dbraw/zinc/37/31/58/1013373158.db2.gz XERMLTAKHZTWJU-NQIIRXRSSA-N 1 3 359.489 2.640 20 0 FFADHO COc1ccc(Cn2cc(CNC3CCC(C)([NH+](C)C)CC3)nn2)cc1 ZINC000873148633 1013403243 /nfs/dbraw/zinc/40/32/43/1013403243.db2.gz FSEYKJNWGASTLL-UHFFFAOYSA-N 1 3 357.502 2.688 20 0 FFADHO Cc1ccc(NC(=O)C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)nc1 ZINC000873203021 1013427244 /nfs/dbraw/zinc/42/72/44/1013427244.db2.gz MNCCORJIJWGIQN-UHFFFAOYSA-N 1 3 370.522 2.948 20 0 FFADHO O=c1ccccn1Cc1ccc(CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873213391 1013429487 /nfs/dbraw/zinc/42/94/87/1013429487.db2.gz XSPSWWDDKYBBFC-UHFFFAOYSA-N 1 3 365.502 2.894 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000665759401 963605394 /nfs/dbraw/zinc/60/53/94/963605394.db2.gz FLQHVHMAGVGUCW-NLWGTHIKSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000665759401 963605397 /nfs/dbraw/zinc/60/53/97/963605397.db2.gz FLQHVHMAGVGUCW-NLWGTHIKSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218631 1013432721 /nfs/dbraw/zinc/43/27/21/1013432721.db2.gz MAGVADAMCHAZNA-OAHLLOKOSA-N 1 3 353.445 2.976 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001104362814 964085936 /nfs/dbraw/zinc/08/59/36/964085936.db2.gz LGPWFBIWJYWKSU-QRVBRYPASA-N 1 3 367.578 2.750 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCN(C)C1 ZINC000664324447 964124089 /nfs/dbraw/zinc/12/40/89/964124089.db2.gz SOIFCIRTSCKKQR-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCN(C)C1 ZINC000664324447 964124094 /nfs/dbraw/zinc/12/40/94/964124094.db2.gz SOIFCIRTSCKKQR-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C(=O)c1ccc(NCC2CC[NH+](C)CC2)cc1)[C@H]1CCCN(C)C1 ZINC000894286833 964209813 /nfs/dbraw/zinc/20/98/13/964209813.db2.gz QEFYJNZWOZRWGV-FQEVSTJZSA-N 1 3 358.530 2.607 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)N2CCCC2)cc1 ZINC000891458783 964343727 /nfs/dbraw/zinc/34/37/27/964343727.db2.gz DNOCBBDZYYEJDG-AQNXPRMDSA-N 1 3 356.514 2.668 20 0 FFADHO COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)N2CCCC2)c1 ZINC000891553671 964477310 /nfs/dbraw/zinc/47/73/10/964477310.db2.gz WMJONLMFXFXFHN-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)N2CCCC2)c1 ZINC000891553671 964477320 /nfs/dbraw/zinc/47/73/20/964477320.db2.gz WMJONLMFXFXFHN-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506979 964696501 /nfs/dbraw/zinc/69/65/01/964696501.db2.gz PVLDZDMUTUJGJA-RXVVDRJESA-N 1 3 365.562 2.506 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc(Nc2ccncc2)cc1)C1=CC[N@H+](C)CC1 ZINC000664628173 964797257 /nfs/dbraw/zinc/79/72/57/964797257.db2.gz FSSPOOKQSKWCSZ-MRXNPFEDSA-N 1 3 365.481 2.697 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc(Nc2ccncc2)cc1)C1=CC[N@@H+](C)CC1 ZINC000664628173 964797261 /nfs/dbraw/zinc/79/72/61/964797261.db2.gz FSSPOOKQSKWCSZ-MRXNPFEDSA-N 1 3 365.481 2.697 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c2)n1 ZINC000894491507 965419049 /nfs/dbraw/zinc/41/90/49/965419049.db2.gz ZWXBVKHJKNLVIC-AYHJJNSGSA-N 1 3 368.481 2.764 20 0 FFADHO CCOC(=O)C1(C(=O)c2ccccc2)CCN(CC2CC[NH+](C)CC2)CC1 ZINC000894680372 965575387 /nfs/dbraw/zinc/57/53/87/965575387.db2.gz CAGFHBMDOMJSDP-UHFFFAOYSA-N 1 3 372.509 2.856 20 0 FFADHO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CC2CCN(C)CC2)CC1 ZINC000894680372 965575392 /nfs/dbraw/zinc/57/53/92/965575392.db2.gz CAGFHBMDOMJSDP-UHFFFAOYSA-N 1 3 372.509 2.856 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)C[C@H](C)O1 ZINC001175973071 1013598695 /nfs/dbraw/zinc/59/86/95/1013598695.db2.gz INDBLIXTBGOIPA-YUVXSKOASA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)C[C@H](C)O1 ZINC001175973071 1013598698 /nfs/dbraw/zinc/59/86/98/1013598698.db2.gz INDBLIXTBGOIPA-YUVXSKOASA-N 1 3 357.542 2.550 20 0 FFADHO COC[C@H](C)Oc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000657400883 966407136 /nfs/dbraw/zinc/40/71/36/966407136.db2.gz ONTDOEDMHPVJTF-NDXORKPFSA-N 1 3 362.514 2.568 20 0 FFADHO COC[C@H](C)Oc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000657400884 966407194 /nfs/dbraw/zinc/40/71/94/966407194.db2.gz ONTDOEDMHPVJTF-ORYQWCPZSA-N 1 3 362.514 2.568 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CC(F)(F)C2)C1 ZINC001087213156 966591551 /nfs/dbraw/zinc/59/15/51/966591551.db2.gz HSDLRJKKVCJGAA-INMHGKMJSA-N 1 3 357.489 2.590 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccnc2)CC1 ZINC001087230738 967109971 /nfs/dbraw/zinc/10/99/71/967109971.db2.gz KXSMQVLSRBRUMG-QUCCMNQESA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNCc2ccccc2F)C1 ZINC001087236307 967473198 /nfs/dbraw/zinc/47/31/98/967473198.db2.gz QLHUUSWRRLYECF-AOIWGVFYSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](CNCc2ccccc2F)C1 ZINC001087236307 967473206 /nfs/dbraw/zinc/47/32/06/967473206.db2.gz QLHUUSWRRLYECF-AOIWGVFYSA-N 1 3 361.505 2.884 20 0 FFADHO CCc1cccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000650799003 967943674 /nfs/dbraw/zinc/94/36/74/967943674.db2.gz QFCUESUKVILKCL-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](CNCc2ccns2)C1 ZINC001087249115 968057401 /nfs/dbraw/zinc/05/74/01/968057401.db2.gz JOROEIXJKREUAY-SJORKVTESA-N 1 3 364.559 2.736 20 0 FFADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001267375131 968109082 /nfs/dbraw/zinc/10/90/82/968109082.db2.gz VUIKFSGOGYLQRS-UMVBOHGHSA-N 1 3 355.885 2.928 20 0 FFADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001267375131 968109085 /nfs/dbraw/zinc/10/90/85/968109085.db2.gz VUIKFSGOGYLQRS-UMVBOHGHSA-N 1 3 355.885 2.928 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCc4ccccc4F)C[C@H]32)CC[N@@H+]1C ZINC001075813763 968192045 /nfs/dbraw/zinc/19/20/45/968192045.db2.gz XZHHFABCNWOGOF-FMWKFLBASA-N 1 3 373.516 2.631 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCc4ccccc4F)C[C@H]32)CC[N@H+]1C ZINC001075813763 968192051 /nfs/dbraw/zinc/19/20/51/968192051.db2.gz XZHHFABCNWOGOF-FMWKFLBASA-N 1 3 373.516 2.631 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000843780880 968292132 /nfs/dbraw/zinc/29/21/32/968292132.db2.gz SZYQXQFLELUTIC-UHFFFAOYSA-N 1 3 371.525 2.689 20 0 FFADHO O[C@H](Cc1cccc(Cl)c1)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176879717 1013791724 /nfs/dbraw/zinc/79/17/24/1013791724.db2.gz NRTMYZGFRIUJMS-LJQANCHMSA-N 1 3 366.933 2.556 20 0 FFADHO CCCN1CCC([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000658257301 968600101 /nfs/dbraw/zinc/60/01/01/968600101.db2.gz ZNKALFQUQTWIMA-UHFFFAOYSA-N 1 3 356.558 2.805 20 0 FFADHO CCC[NH+]1CCC(NC2(CN3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000658257301 968600109 /nfs/dbraw/zinc/60/01/09/968600109.db2.gz ZNKALFQUQTWIMA-UHFFFAOYSA-N 1 3 356.558 2.805 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1sc(C)nc1C ZINC001087796752 969102296 /nfs/dbraw/zinc/10/22/96/969102296.db2.gz LWOPAXAJNUFLHA-YESZJQIVSA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1sc(C)nc1C ZINC001087796752 969102301 /nfs/dbraw/zinc/10/23/01/969102301.db2.gz LWOPAXAJNUFLHA-YESZJQIVSA-N 1 3 364.559 2.571 20 0 FFADHO COc1ccc(Cl)cc1CNCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001177195041 1013862365 /nfs/dbraw/zinc/86/23/65/1013862365.db2.gz IBVLZKRYWYSZEG-UHFFFAOYSA-N 1 3 360.889 2.785 20 0 FFADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)C1CC[NH2+]CC1 ZINC000892530542 969375298 /nfs/dbraw/zinc/37/52/98/969375298.db2.gz QUXOZURWBGCVKI-IBGZPJMESA-N 1 3 358.530 2.743 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C(C)(C)C ZINC000659034873 969651953 /nfs/dbraw/zinc/65/19/53/969651953.db2.gz RJNLNMIMHMPEFO-QZTJIDSGSA-N 1 3 362.518 2.835 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659324869 969832915 /nfs/dbraw/zinc/83/29/15/969832915.db2.gz LTVNJUAIBXRPAH-ILWGZMRPSA-N 1 3 361.489 2.954 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659324869 969832920 /nfs/dbraw/zinc/83/29/20/969832920.db2.gz LTVNJUAIBXRPAH-ILWGZMRPSA-N 1 3 361.489 2.954 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659349359 969844322 /nfs/dbraw/zinc/84/43/22/969844322.db2.gz FFPORFITZWDYAQ-DBVUQKKJSA-N 1 3 371.431 2.761 20 0 FFADHO N[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[C@H]1F ZINC000659445943 969936924 /nfs/dbraw/zinc/93/69/24/969936924.db2.gz ZLVWZWOGMHFMPW-RTBURBONSA-N 1 3 362.493 2.643 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)N(C)C)cc1 ZINC000659492287 969982013 /nfs/dbraw/zinc/98/20/13/969982013.db2.gz BWEQOYQPEYRAQE-MOMVYJMYSA-N 1 3 358.530 2.539 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC[C@@H]21 ZINC000874976268 1013939685 /nfs/dbraw/zinc/93/96/85/1013939685.db2.gz QWVJQSGRAPHNTD-AABGKKOBSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC[C@@H]21 ZINC000874976268 1013939689 /nfs/dbraw/zinc/93/96/89/1013939689.db2.gz QWVJQSGRAPHNTD-AABGKKOBSA-N 1 3 356.514 2.559 20 0 FFADHO Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)s1 ZINC001104676566 970084758 /nfs/dbraw/zinc/08/47/58/970084758.db2.gz PWIHPQAVJQOUFZ-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)s1 ZINC001104676507 970085408 /nfs/dbraw/zinc/08/54/08/970085408.db2.gz NIVLBPMBPRSCBE-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)s1 ZINC001104676507 970085416 /nfs/dbraw/zinc/08/54/16/970085416.db2.gz NIVLBPMBPRSCBE-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001104679544 970088019 /nfs/dbraw/zinc/08/80/19/970088019.db2.gz JVTFIJCPRVVBQS-QWFCFKBJSA-N 1 3 361.574 2.983 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001104683618 970099504 /nfs/dbraw/zinc/09/95/04/970099504.db2.gz NTVRUYWPJSZFKT-NVXWUHKLSA-N 1 3 371.516 2.838 20 0 FFADHO CC(C)OCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683878 970100125 /nfs/dbraw/zinc/10/01/25/970100125.db2.gz RWGQBFHHNMWNOG-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(C)c(C)s2)C1)N(C)C ZINC001104691813 970111886 /nfs/dbraw/zinc/11/18/86/970111886.db2.gz WZXRNDMMMLYDFD-XYPHTWIQSA-N 1 3 366.575 2.674 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]Cc1ccc(Cl)s1 ZINC001104728978 970181994 /nfs/dbraw/zinc/18/19/94/970181994.db2.gz KREUOIPXCGGCRO-CHWSQXEVSA-N 1 3 366.918 2.942 20 0 FFADHO CC(C)Cc1ccc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)cn1 ZINC000892749398 970271146 /nfs/dbraw/zinc/27/11/46/970271146.db2.gz ADSMGMCHTJPGFN-UHFFFAOYSA-N 1 3 353.514 2.717 20 0 FFADHO Cc1ccc(C2=NO[C@@H](C[NH2+]C3CCN(CC(C)(C)O)CC3)C2)cc1C ZINC000895503582 970675375 /nfs/dbraw/zinc/67/53/75/970675375.db2.gz WRLPUPPSLVPUFZ-LJQANCHMSA-N 1 3 359.514 2.621 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CCN(C/C=C\Cl)C[C@H]3C2)C1 ZINC001088106745 972825947 /nfs/dbraw/zinc/82/59/47/972825947.db2.gz OSHGEOMARXFAJC-XUYRIMEMSA-N 1 3 371.928 2.732 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CCN(C/C=C\Cl)C[C@H]3C2)C1 ZINC001088106745 972825959 /nfs/dbraw/zinc/82/59/59/972825959.db2.gz OSHGEOMARXFAJC-XUYRIMEMSA-N 1 3 371.928 2.732 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106947 972827674 /nfs/dbraw/zinc/82/76/74/972827674.db2.gz XXLBCUXNHZPMHY-UIFIKXQLSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106947 972827683 /nfs/dbraw/zinc/82/76/83/972827683.db2.gz XXLBCUXNHZPMHY-UIFIKXQLSA-N 1 3 355.526 2.617 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@@H]2C1 ZINC001088121739 972916162 /nfs/dbraw/zinc/91/61/62/972916162.db2.gz VDCYUIWPIFGYFG-CVEARBPZSA-N 1 3 366.456 2.558 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@@H]2C1 ZINC001088121739 972916176 /nfs/dbraw/zinc/91/61/76/972916176.db2.gz VDCYUIWPIFGYFG-CVEARBPZSA-N 1 3 366.456 2.558 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)CC[C@@H]2C1 ZINC001088121736 972927849 /nfs/dbraw/zinc/92/78/49/972927849.db2.gz UVVZPWHQQHYGPG-MSOLQXFVSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)CC[C@@H]2C1 ZINC001088121736 972927856 /nfs/dbraw/zinc/92/78/56/972927856.db2.gz UVVZPWHQQHYGPG-MSOLQXFVSA-N 1 3 356.514 2.703 20 0 FFADHO CC(=O)N1CCC2(C[NH+]([C@@H]3C[C@@H](C)N(Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001168054511 973026762 /nfs/dbraw/zinc/02/67/62/973026762.db2.gz SQGRCAFOZZOHFR-RMFSNUHRSA-N 1 3 355.526 2.982 20 0 FFADHO O=C(NCCN1CCCCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000045187055 974064089 /nfs/dbraw/zinc/06/40/89/974064089.db2.gz DITSDYRIZVJPBQ-UHFFFAOYSA-N 1 3 358.530 2.958 20 0 FFADHO Cc1ccc(F)c(CN(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001029742490 974186520 /nfs/dbraw/zinc/18/65/20/974186520.db2.gz USWSCAUIKFKKCA-ZIFCJYIRSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(F)c(CN(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001029742490 974186524 /nfs/dbraw/zinc/18/65/24/974186524.db2.gz USWSCAUIKFKKCA-ZIFCJYIRSA-N 1 3 361.505 2.755 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000661507704 974397048 /nfs/dbraw/zinc/39/70/48/974397048.db2.gz SVNCASPIVAVNJO-NZSAHSFTSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000661507704 974397058 /nfs/dbraw/zinc/39/70/58/974397058.db2.gz SVNCASPIVAVNJO-NZSAHSFTSA-N 1 3 358.530 2.821 20 0 FFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417493 974412879 /nfs/dbraw/zinc/41/28/79/974412879.db2.gz ZVLBRFXCSYMHFS-LSTHTHJFSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027417493 974412882 /nfs/dbraw/zinc/41/28/82/974412882.db2.gz ZVLBRFXCSYMHFS-LSTHTHJFSA-N 1 3 361.505 2.897 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]([C@H]2CCCCO2)C1)c1ccccc1 ZINC000661872433 974892713 /nfs/dbraw/zinc/89/27/13/974892713.db2.gz AEJWFRSBLSDGEQ-NJDAHSKKSA-N 1 3 373.541 2.687 20 0 FFADHO COc1ccccc1N1CC[C@@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662293053 975408106 /nfs/dbraw/zinc/40/81/06/975408106.db2.gz JBLDQXGZHOIZRW-PKOBYXMFSA-N 1 3 357.498 2.512 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662298643 975412551 /nfs/dbraw/zinc/41/25/51/975412551.db2.gz WKYDNLORPPITDE-FQEVSTJZSA-N 1 3 373.541 2.802 20 0 FFADHO CC[C@@H]([NH2+]C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000662504868 975658412 /nfs/dbraw/zinc/65/84/12/975658412.db2.gz CVKGTJSNZFHVNF-QZTJIDSGSA-N 1 3 355.486 2.575 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663400384 975790111 /nfs/dbraw/zinc/79/01/11/975790111.db2.gz PVRBJUIIMNRPOV-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663400384 975790120 /nfs/dbraw/zinc/79/01/20/975790120.db2.gz PVRBJUIIMNRPOV-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC000662648653 975790637 /nfs/dbraw/zinc/79/06/37/975790637.db2.gz WMAOOHNDGSXDQB-FQEVSTJZSA-N 1 3 367.493 2.523 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)N2CCCC2)cc1 ZINC000662699522 975840689 /nfs/dbraw/zinc/84/06/89/975840689.db2.gz BSMAYPNPRDYGAE-AEFFLSMTSA-N 1 3 369.431 2.790 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000663460077 975957829 /nfs/dbraw/zinc/95/78/29/975957829.db2.gz XVHPOZXIBSSOMW-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000663460077 975957834 /nfs/dbraw/zinc/95/78/34/975957834.db2.gz XVHPOZXIBSSOMW-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO Cc1ccc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1F ZINC000663510604 976089444 /nfs/dbraw/zinc/08/94/44/976089444.db2.gz GSBOFEDSNQMFQR-KRWDZBQOSA-N 1 3 357.477 2.646 20 0 FFADHO C[NH+](C)CCN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccccc1 ZINC000667568451 976403401 /nfs/dbraw/zinc/40/34/01/976403401.db2.gz DSGMDXFBQTVJBK-HOTGVXAUSA-N 1 3 374.403 2.565 20 0 FFADHO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(CN2CCCC2)c1 ZINC000898631906 976588005 /nfs/dbraw/zinc/58/80/05/976588005.db2.gz VVJBMYXDLMMSGI-UHFFFAOYSA-N 1 3 371.525 2.656 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000899020067 976867264 /nfs/dbraw/zinc/86/72/64/976867264.db2.gz SASWVSWPAPOQHH-RXVVDRJESA-N 1 3 373.541 2.973 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000899020067 976867273 /nfs/dbraw/zinc/86/72/73/976867273.db2.gz SASWVSWPAPOQHH-RXVVDRJESA-N 1 3 373.541 2.973 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000876708697 1014358484 /nfs/dbraw/zinc/35/84/84/1014358484.db2.gz YDEODEKQZZPODY-QGZVFWFLSA-N 1 3 372.538 2.951 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438850883 977450357 /nfs/dbraw/zinc/45/03/57/977450357.db2.gz IXQHODUEKMWREB-DLBZAZTESA-N 1 3 361.534 2.637 20 0 FFADHO Cc1noc2ncc(CNCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc12 ZINC000894139004 977955041 /nfs/dbraw/zinc/95/50/41/977955041.db2.gz QDDZYWFDFZEYPH-UHFFFAOYSA-N 1 3 366.465 2.778 20 0 FFADHO Cc1cc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc(N2CCN(C(C)C)CC2)c1 ZINC000653347867 978376351 /nfs/dbraw/zinc/37/63/51/978376351.db2.gz SPJPJASZAKUVAK-SFTDATJTSA-N 1 3 370.541 2.995 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCc3cnoc3C)C2)CC[N@@H+]1C ZINC001088316592 979130613 /nfs/dbraw/zinc/13/06/13/979130613.db2.gz DNYVMGUFYHUSGC-GBESFXJTSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCc3cnoc3C)C2)CC[N@H+]1C ZINC001088316592 979130623 /nfs/dbraw/zinc/13/06/23/979130623.db2.gz DNYVMGUFYHUSGC-GBESFXJTSA-N 1 3 362.518 2.574 20 0 FFADHO c1ncn(-c2ccccc2CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904475665 980284768 /nfs/dbraw/zinc/28/47/68/980284768.db2.gz PIBYJMPDCXOGED-GHTZIAJQSA-N 1 3 361.449 2.613 20 0 FFADHO Cc1cccc([C@H](O)C[NH2+]Cc2ccccc2CN2CCC(O)CC2)c1 ZINC000905145796 980392972 /nfs/dbraw/zinc/39/29/72/980392972.db2.gz OSFKDDYEHGEROC-JOCHJYFZSA-N 1 3 354.494 2.775 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654351511 1014671372 /nfs/dbraw/zinc/67/13/72/1014671372.db2.gz ISFUKNFZDPYCOW-AABGKKOBSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654351511 1014671378 /nfs/dbraw/zinc/67/13/78/1014671378.db2.gz ISFUKNFZDPYCOW-AABGKKOBSA-N 1 3 356.514 2.577 20 0 FFADHO Cc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)n1 ZINC001211915318 980868522 /nfs/dbraw/zinc/86/85/22/980868522.db2.gz GZYFTFIJBKKICR-QGZVFWFLSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)n1 ZINC001211915318 980868529 /nfs/dbraw/zinc/86/85/29/980868529.db2.gz GZYFTFIJBKKICR-QGZVFWFLSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ncccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211917228 981053027 /nfs/dbraw/zinc/05/30/27/981053027.db2.gz XHAXZNAGAXXSGD-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ncccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211917228 981053032 /nfs/dbraw/zinc/05/30/32/981053032.db2.gz XHAXZNAGAXXSGD-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC1 ZINC000877746199 1014706711 /nfs/dbraw/zinc/70/67/11/1014706711.db2.gz JFIAMMVBKIGFFM-UHFFFAOYSA-N 1 3 373.541 2.854 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000668562655 981106511 /nfs/dbraw/zinc/10/65/11/981106511.db2.gz KGKDEPXTMWBCSQ-XUVXKRRUSA-N 1 3 358.530 2.711 20 0 FFADHO COc1ccccc1-n1nccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707497 1014745933 /nfs/dbraw/zinc/74/59/33/1014745933.db2.gz HINDYODVYRCZHV-FIKGOQFSSA-N 1 3 370.497 2.599 20 0 FFADHO COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001168273448 981728660 /nfs/dbraw/zinc/72/86/60/981728660.db2.gz MDUPFSZQBYOWQJ-QZNHQXDQSA-N 1 3 370.537 2.985 20 0 FFADHO COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001168273448 981728662 /nfs/dbraw/zinc/72/86/62/981728662.db2.gz MDUPFSZQBYOWQJ-QZNHQXDQSA-N 1 3 370.537 2.985 20 0 FFADHO COc1ccc2c(c1)C[C@H](N1C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001168273448 981728668 /nfs/dbraw/zinc/72/86/68/981728668.db2.gz MDUPFSZQBYOWQJ-QZNHQXDQSA-N 1 3 370.537 2.985 20 0 FFADHO COc1ccc2c(c1)C[C@H](N1C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001168273448 981728672 /nfs/dbraw/zinc/72/86/72/981728672.db2.gz MDUPFSZQBYOWQJ-QZNHQXDQSA-N 1 3 370.537 2.985 20 0 FFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H]1C ZINC001088620478 981864782 /nfs/dbraw/zinc/86/47/82/981864782.db2.gz MHWHFMSLGXJJST-UXPWSPDFSA-N 1 3 365.562 2.645 20 0 FFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H]1C ZINC001088620478 981864791 /nfs/dbraw/zinc/86/47/91/981864791.db2.gz MHWHFMSLGXJJST-UXPWSPDFSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+](C)C1CCC(N2Cc3cncn3C[C@@H](COc3ccccn3)C2)CC1 ZINC001168322919 982906601 /nfs/dbraw/zinc/90/66/01/982906601.db2.gz JANRBULVAXZWHM-VIQWUECVSA-N 1 3 369.513 2.662 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878323845 1014985371 /nfs/dbraw/zinc/98/53/71/1014985371.db2.gz DWQDVDQEBJCJNI-GBAJDQEWSA-N 1 3 357.542 2.865 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CNCc1nccs1 ZINC001107071818 983913551 /nfs/dbraw/zinc/91/35/51/983913551.db2.gz SYEUIEBMNGORAC-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc21 ZINC000912015489 983943274 /nfs/dbraw/zinc/94/32/74/983943274.db2.gz ZNMMSWYYTGEUTD-MRXNPFEDSA-N 1 3 359.518 2.595 20 0 FFADHO COc1ccccc1C(=O)NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168394739 984472598 /nfs/dbraw/zinc/47/25/98/984472598.db2.gz FNSIEVLHQXPKHJ-UHFFFAOYSA-N 1 3 371.525 2.764 20 0 FFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2)C1CCC1 ZINC001107438468 984539057 /nfs/dbraw/zinc/53/90/57/984539057.db2.gz BERRXEUDWRUZEJ-NVXWUHKLSA-N 1 3 361.452 2.784 20 0 FFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2)C1CCC1 ZINC001107438468 984539062 /nfs/dbraw/zinc/53/90/62/984539062.db2.gz BERRXEUDWRUZEJ-NVXWUHKLSA-N 1 3 361.452 2.784 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2)C1CC1 ZINC001107438506 984539364 /nfs/dbraw/zinc/53/93/64/984539364.db2.gz CDUAGZXIIMKYBU-MQSCRBSSSA-N 1 3 369.553 2.930 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccccc1)CC2)C1CC1 ZINC001107438506 984539370 /nfs/dbraw/zinc/53/93/70/984539370.db2.gz CDUAGZXIIMKYBU-MQSCRBSSSA-N 1 3 369.553 2.930 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107442363 984544043 /nfs/dbraw/zinc/54/40/43/984544043.db2.gz DEIIGIGTJPNALX-KCZVDYSFSA-N 1 3 370.541 2.817 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107442363 984544048 /nfs/dbraw/zinc/54/40/48/984544048.db2.gz DEIIGIGTJPNALX-KCZVDYSFSA-N 1 3 370.541 2.817 20 0 FFADHO COC(=O)/C=C\c1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000796461647 1015060146 /nfs/dbraw/zinc/06/01/46/1015060146.db2.gz SDQPPSNYTYINSS-HEXJENPPSA-N 1 3 358.482 2.809 20 0 FFADHO COC(=O)/C=C\c1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000796461647 1015060156 /nfs/dbraw/zinc/06/01/56/1015060156.db2.gz SDQPPSNYTYINSS-HEXJENPPSA-N 1 3 358.482 2.809 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C[C@@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001088952041 985582943 /nfs/dbraw/zinc/58/29/43/985582943.db2.gz VAWQHQQCMVLIAB-NEWSRXKRSA-N 1 3 365.562 2.501 20 0 FFADHO c1cc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc2c1OCO2 ZINC000166310532 985738779 /nfs/dbraw/zinc/73/87/79/985738779.db2.gz AVUXKPXFCFUMQH-ZWKOTPCHSA-N 1 3 358.482 2.680 20 0 FFADHO c1cc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc2c1OCO2 ZINC000166310532 985738785 /nfs/dbraw/zinc/73/87/85/985738785.db2.gz AVUXKPXFCFUMQH-ZWKOTPCHSA-N 1 3 358.482 2.680 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001089039069 986057846 /nfs/dbraw/zinc/05/78/46/986057846.db2.gz VPEUIICTTMPFLO-QMMLZNLJSA-N 1 3 357.542 2.916 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001089039069 986057858 /nfs/dbraw/zinc/05/78/58/986057858.db2.gz VPEUIICTTMPFLO-QMMLZNLJSA-N 1 3 357.542 2.916 20 0 FFADHO O=C1O[C@H](CN2CCCN(c3cc[nH+]cc3)CC2)CN1c1ccccc1 ZINC000878743160 1015193747 /nfs/dbraw/zinc/19/37/47/1015193747.db2.gz ARPHYTZYTJSUTA-LJQANCHMSA-N 1 3 352.438 2.619 20 0 FFADHO CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001112539995 986421045 /nfs/dbraw/zinc/42/10/45/986421045.db2.gz AHXVOXOISSLDFL-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO COc1cccc([C@@H](C)N2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001000701172 987087041 /nfs/dbraw/zinc/08/70/41/987087041.db2.gz FJGFBOCQVANVGY-CBGDNZLLSA-N 1 3 371.525 2.845 20 0 FFADHO COc1cccc([C@@H](C)N2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001000701172 987087051 /nfs/dbraw/zinc/08/70/51/987087051.db2.gz FJGFBOCQVANVGY-CBGDNZLLSA-N 1 3 371.525 2.845 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)CC[N@@H+]1C ZINC001002858904 987551577 /nfs/dbraw/zinc/55/15/77/987551577.db2.gz IMZKPNFRCNFOBN-VQTJNVASSA-N 1 3 361.505 2.967 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)CC[N@H+]1C ZINC001002858904 987551582 /nfs/dbraw/zinc/55/15/82/987551582.db2.gz IMZKPNFRCNFOBN-VQTJNVASSA-N 1 3 361.505 2.967 20 0 FFADHO Cc1cccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311405004 987662600 /nfs/dbraw/zinc/66/26/00/987662600.db2.gz WATPUWZRDCSZKZ-LEWJYISDSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1cccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311405004 987662604 /nfs/dbraw/zinc/66/26/04/987662604.db2.gz WATPUWZRDCSZKZ-LEWJYISDSA-N 1 3 354.494 2.846 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001106249673 987757111 /nfs/dbraw/zinc/75/71/11/987757111.db2.gz MXQMXQGQKJDYQH-LZQZEXGQSA-N 1 3 363.571 2.705 20 0 FFADHO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C12CCC2 ZINC000453141948 987767374 /nfs/dbraw/zinc/76/73/74/987767374.db2.gz JXJBEHFISHUAKY-WOJBJXKFSA-N 1 3 371.525 2.559 20 0 FFADHO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C12CCC2 ZINC000453141947 987767525 /nfs/dbraw/zinc/76/75/25/987767525.db2.gz JXJBEHFISHUAKY-VQTJNVASSA-N 1 3 371.525 2.559 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC001106339566 987981360 /nfs/dbraw/zinc/98/13/60/987981360.db2.gz SGZJJOFSIKIPFJ-GDBMZVCRSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)C1CC[NH2+]CC1 ZINC000166932605 988097606 /nfs/dbraw/zinc/09/76/06/988097606.db2.gz KVRZKQSQXBSZNO-QGZVFWFLSA-N 1 3 373.541 2.855 20 0 FFADHO Cc1nn(-c2cccc(C)c2)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000651808157 1015369448 /nfs/dbraw/zinc/36/94/48/1015369448.db2.gz HQPUFLOUKWTVDI-UHFFFAOYSA-N 1 3 369.557 2.947 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311812996 988272345 /nfs/dbraw/zinc/27/23/45/988272345.db2.gz PBUTZCNJPTYUCB-NHCUHLMSSA-N 1 3 351.494 2.585 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311812996 988272353 /nfs/dbraw/zinc/27/23/53/988272353.db2.gz PBUTZCNJPTYUCB-NHCUHLMSSA-N 1 3 351.494 2.585 20 0 FFADHO COc1cc(C)cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1OC ZINC000922389239 988538166 /nfs/dbraw/zinc/53/81/66/988538166.db2.gz HYCIGUREKBCMCX-SGLNWRHMSA-N 1 3 362.514 2.582 20 0 FFADHO COc1cc(C)cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1OC ZINC000922389239 988538175 /nfs/dbraw/zinc/53/81/75/988538175.db2.gz HYCIGUREKBCMCX-SGLNWRHMSA-N 1 3 362.514 2.582 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC000922389738 988538350 /nfs/dbraw/zinc/53/83/50/988538350.db2.gz JRTQQLZPKNVORQ-ZJPYXAASSA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC000922389738 988538354 /nfs/dbraw/zinc/53/83/54/988538354.db2.gz JRTQQLZPKNVORQ-ZJPYXAASSA-N 1 3 372.431 2.980 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3OC)C2)[C@@H]1C(C)C ZINC000922392285 988551050 /nfs/dbraw/zinc/55/10/50/988551050.db2.gz KUNNOTUZIWSNLR-RMVXJAJNSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3OC)C2)[C@@H]1C(C)C ZINC000922392285 988551058 /nfs/dbraw/zinc/55/10/58/988551058.db2.gz KUNNOTUZIWSNLR-RMVXJAJNSA-N 1 3 362.514 2.663 20 0 FFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106665758 988607810 /nfs/dbraw/zinc/60/78/10/988607810.db2.gz ASQZPLQVQHWNCE-MBOZVWFJSA-N 1 3 353.526 2.849 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCc2cccc(C)c2)[C@H](C)C1)N(C)C ZINC001106673788 988618133 /nfs/dbraw/zinc/61/81/33/988618133.db2.gz KZWMHCJXGFCBJL-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001106672572 988622903 /nfs/dbraw/zinc/62/29/03/988622903.db2.gz DUUNFMLLRRCUCD-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001106673396 988623736 /nfs/dbraw/zinc/62/37/36/988623736.db2.gz XTYOQOMSJMKYGZ-ZIAGYGMSSA-N 1 3 351.457 2.601 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC/C=C\c1ccccc1 ZINC001106704988 988728008 /nfs/dbraw/zinc/72/80/08/988728008.db2.gz LXWXSKTXSGMFDJ-GDKDZLOSSA-N 1 3 352.482 2.740 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cnn(C4CCCC4)c3)CC2)CC1 ZINC000915500549 988766047 /nfs/dbraw/zinc/76/60/47/988766047.db2.gz OMXYQNIPEKZGCQ-UHFFFAOYSA-N 1 3 374.533 2.678 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000915681454 988849551 /nfs/dbraw/zinc/84/95/51/988849551.db2.gz WBWDZSRDSRVFNZ-QUCCMNQESA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000915681454 988849565 /nfs/dbraw/zinc/84/95/65/988849565.db2.gz WBWDZSRDSRVFNZ-QUCCMNQESA-N 1 3 371.529 2.577 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)o2)[C@H](C)C1 ZINC001106775611 989019511 /nfs/dbraw/zinc/01/95/11/989019511.db2.gz SWLFSCJINJCUCV-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC001106779285 989033719 /nfs/dbraw/zinc/03/37/19/989033719.db2.gz HZEGFUDIAIDDRD-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC001106783692 989044913 /nfs/dbraw/zinc/04/49/13/989044913.db2.gz UVGFVKLFTOWITP-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC001106784296 989045437 /nfs/dbraw/zinc/04/54/37/989045437.db2.gz GBMIJVQFWCEMJJ-ZACQAIPSSA-N 1 3 359.505 2.838 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC[NH+]1CCCCC1 ZINC000194354840 989214978 /nfs/dbraw/zinc/21/49/78/989214978.db2.gz NUNIZYFOJZNEGN-UHFFFAOYSA-N 1 3 364.509 2.775 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000917004458 990090538 /nfs/dbraw/zinc/09/05/38/990090538.db2.gz VTYYNHDYFRAAHM-XLIONFOSSA-N 1 3 355.482 2.768 20 0 FFADHO C[C@@H](CNC(=O)N(CCc1ccccc1)CCN(C)C)C[NH+]1CCCC1 ZINC000918222416 990361350 /nfs/dbraw/zinc/36/13/50/990361350.db2.gz FDGZQTXSVOWJEA-IBGZPJMESA-N 1 3 360.546 2.534 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CN1C1CC1 ZINC000130533539 990553207 /nfs/dbraw/zinc/55/32/07/990553207.db2.gz OVIBGPCEHNWCTL-GUDVDZBRSA-N 1 3 362.562 2.909 20 0 FFADHO c1nnn(-c2ccccc2)c1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000676442764 990577017 /nfs/dbraw/zinc/57/70/17/990577017.db2.gz IRACYRGSDPDFLX-UHFFFAOYSA-N 1 3 369.513 2.592 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1 ZINC001106903982 991241920 /nfs/dbraw/zinc/24/19/20/991241920.db2.gz UQHVUJRBVSAGKQ-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1 ZINC001106903982 991241928 /nfs/dbraw/zinc/24/19/28/991241928.db2.gz UQHVUJRBVSAGKQ-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079153391 991818891 /nfs/dbraw/zinc/81/88/91/991818891.db2.gz DQRRYDRMSARZDJ-ZCNNSNEGSA-N 1 3 361.505 2.848 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079182491 991891913 /nfs/dbraw/zinc/89/19/13/991891913.db2.gz LLLSXEHBSGTPFZ-XUVXKRRUSA-N 1 3 361.505 2.993 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1c1ccccc1F ZINC001079294988 991981074 /nfs/dbraw/zinc/98/10/74/991981074.db2.gz JMOZKXOMCHZMRB-SXLOBPIMSA-N 1 3 361.505 2.991 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]C(C)C)C1 ZINC001079321984 991997703 /nfs/dbraw/zinc/99/77/03/991997703.db2.gz HODROZZSBZDVGD-DFQSSKMNSA-N 1 3 361.505 2.993 20 0 FFADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2c2ccccc2F)C1 ZINC001079313835 992013337 /nfs/dbraw/zinc/01/33/37/992013337.db2.gz UYDBIOZZCUUUHD-VSMZWWAGSA-N 1 3 370.472 2.722 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000383735312 992281867 /nfs/dbraw/zinc/28/18/67/992281867.db2.gz QCMNQHBHASPRFM-SIKLNZKXSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000383735312 992281873 /nfs/dbraw/zinc/28/18/73/992281873.db2.gz QCMNQHBHASPRFM-SIKLNZKXSA-N 1 3 363.505 2.902 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414929536 992774351 /nfs/dbraw/zinc/77/43/51/992774351.db2.gz RSUKYOCOFHWOBQ-QIIPPGSGSA-N 1 3 358.486 2.612 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1 ZINC001081179724 993739772 /nfs/dbraw/zinc/73/97/72/993739772.db2.gz GVYQXKHOCUOYPV-DZFGPLHGSA-N 1 3 355.526 2.855 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001081884984 994006301 /nfs/dbraw/zinc/00/63/01/994006301.db2.gz VEQQNONHNWPYON-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001081884984 994006306 /nfs/dbraw/zinc/00/63/06/994006306.db2.gz VEQQNONHNWPYON-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1NC(=O)c1occc1CN(C)C ZINC001082073012 994146871 /nfs/dbraw/zinc/14/68/71/994146871.db2.gz RKJDDGOJISJZPG-KFKAGJAMSA-N 1 3 371.481 2.531 20 0 FFADHO CO[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1NC(=O)c1occc1CN(C)C ZINC001082073012 994146874 /nfs/dbraw/zinc/14/68/74/994146874.db2.gz RKJDDGOJISJZPG-KFKAGJAMSA-N 1 3 371.481 2.531 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131464678 994278567 /nfs/dbraw/zinc/27/85/67/994278567.db2.gz ZORURQGJWWLXQO-AABGKKOBSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001131519244 994348768 /nfs/dbraw/zinc/34/87/68/994348768.db2.gz JQINYLSCUHHZMI-QRVBRYPASA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000809977880 994656631 /nfs/dbraw/zinc/65/66/31/994656631.db2.gz YVJNLNHURRAVSB-OAQYLSRUSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001082507071 994786688 /nfs/dbraw/zinc/78/66/88/994786688.db2.gz ARIXJMOACBSUEH-OIISXLGYSA-N 1 3 364.921 2.544 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001082507071 994786700 /nfs/dbraw/zinc/78/67/00/994786700.db2.gz ARIXJMOACBSUEH-OIISXLGYSA-N 1 3 364.921 2.544 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558489 994931907 /nfs/dbraw/zinc/93/19/07/994931907.db2.gz TYJQYLZHYGLSLG-DJIMGWMZSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082558489 994931917 /nfs/dbraw/zinc/93/19/17/994931917.db2.gz TYJQYLZHYGLSLG-DJIMGWMZSA-N 1 3 364.559 2.651 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC001082559833 994934514 /nfs/dbraw/zinc/93/45/14/994934514.db2.gz QJRVPSMRWUXKEC-VMRPVKRXSA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001082560050 994936476 /nfs/dbraw/zinc/93/64/76/994936476.db2.gz YBYMWCCAXBGMRH-NIKGAXFTSA-N 1 3 363.933 2.659 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC001082561897 994943491 /nfs/dbraw/zinc/94/34/91/994943491.db2.gz YIFYSGLFJRQTMY-VOBQZIQPSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001082561832 994943794 /nfs/dbraw/zinc/94/37/94/994943794.db2.gz UTQSQRMKYDVQHH-IIBYNOLFSA-N 1 3 355.526 2.985 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000054045562 995153232 /nfs/dbraw/zinc/15/32/32/995153232.db2.gz SREVYXNGYNUZFN-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1)N(C)C ZINC001082747403 995303294 /nfs/dbraw/zinc/30/32/94/995303294.db2.gz QRLUULQHHHUXOC-OLMNPRSZSA-N 1 3 351.922 2.925 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc3cccnc32)C1)N(C)C ZINC001082724336 995361525 /nfs/dbraw/zinc/36/15/25/995361525.db2.gz ZJSIAFSWGGVXBK-OZOXKJRCSA-N 1 3 368.525 2.758 20 0 FFADHO Fc1ccc(OC(F)F)c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903505485 1015940782 /nfs/dbraw/zinc/94/07/82/1015940782.db2.gz DFJMGBXJJBFCMX-CALCHBBNSA-N 1 3 369.431 2.828 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001082740901 995395925 /nfs/dbraw/zinc/39/59/25/995395925.db2.gz JSJUTWWYWWPZQF-CBGDNZLLSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001082744053 995403512 /nfs/dbraw/zinc/40/35/12/995403512.db2.gz QCKYFLAGXARZAV-LSTHTHJFSA-N 1 3 355.526 2.842 20 0 FFADHO Cc1cncc(CN2CC[C@@]3(C2)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001054135239 1015945044 /nfs/dbraw/zinc/94/50/44/1015945044.db2.gz XQAPFCVPDOJSCS-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2CC[C@@]3(C2)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001054135239 1015945048 /nfs/dbraw/zinc/94/50/48/1015945048.db2.gz XQAPFCVPDOJSCS-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)s1 ZINC001082943974 995882393 /nfs/dbraw/zinc/88/23/93/995882393.db2.gz WHVIMXGEKYNICX-ZTFGCOKTSA-N 1 3 364.559 2.508 20 0 FFADHO COc1cccc(CN2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001049481684 1016008726 /nfs/dbraw/zinc/00/87/26/1016008726.db2.gz JCNGDDLMQCZMAU-OTNPHJDUSA-N 1 3 371.525 2.601 20 0 FFADHO COc1cccc(CN2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001049481684 1016008734 /nfs/dbraw/zinc/00/87/34/1016008734.db2.gz JCNGDDLMQCZMAU-OTNPHJDUSA-N 1 3 371.525 2.601 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001049483208 1016010639 /nfs/dbraw/zinc/01/06/39/1016010639.db2.gz SYKWQUYENCCAFU-AYWYSENESA-N 1 3 370.541 2.604 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1 ZINC001049483208 1016010651 /nfs/dbraw/zinc/01/06/51/1016010651.db2.gz SYKWQUYENCCAFU-AYWYSENESA-N 1 3 370.541 2.604 20 0 FFADHO Cc1ccc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC001049483210 1016010154 /nfs/dbraw/zinc/01/01/54/1016010154.db2.gz SYKWQUYENCCAFU-PBASOCQRSA-N 1 3 370.541 2.604 20 0 FFADHO Cc1ccc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1 ZINC001049483210 1016010165 /nfs/dbraw/zinc/01/01/65/1016010165.db2.gz SYKWQUYENCCAFU-PBASOCQRSA-N 1 3 370.541 2.604 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)[C@@H]3C2)c1 ZINC001084422274 996521019 /nfs/dbraw/zinc/52/10/19/996521019.db2.gz SMFRKRQHZZDQFR-NJDAHSKKSA-N 1 3 355.526 2.902 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)[C@@H]3C2)c1 ZINC001084422274 996521021 /nfs/dbraw/zinc/52/10/21/996521021.db2.gz SMFRKRQHZZDQFR-NJDAHSKKSA-N 1 3 355.526 2.902 20 0 FFADHO C[C@@H](F)CCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470759 996581288 /nfs/dbraw/zinc/58/12/88/996581288.db2.gz UZTOXNHLEDTNCL-JFIYKMOQSA-N 1 3 353.526 2.920 20 0 FFADHO C[C@@H](F)CCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470759 996581291 /nfs/dbraw/zinc/58/12/91/996581291.db2.gz UZTOXNHLEDTNCL-JFIYKMOQSA-N 1 3 353.526 2.920 20 0 FFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccc5cc[nH]c5c4)C[C@H]32)CC1 ZINC001084630415 996735666 /nfs/dbraw/zinc/73/56/66/996735666.db2.gz FHAHLSJTVHHFHJ-TZIWHRDSSA-N 1 3 366.509 2.542 20 0 FFADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2ccccc2o1 ZINC001096547703 1016083272 /nfs/dbraw/zinc/08/32/72/1016083272.db2.gz UIQZRWVKDQEMAT-NEWSRXKRSA-N 1 3 353.466 2.750 20 0 FFADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2ccccc2o1 ZINC001096547703 1016083283 /nfs/dbraw/zinc/08/32/83/1016083283.db2.gz UIQZRWVKDQEMAT-NEWSRXKRSA-N 1 3 353.466 2.750 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[C@H]1CCN(C)C1 ZINC000881132444 1016168282 /nfs/dbraw/zinc/16/82/82/1016168282.db2.gz ZPENEVOTDIATSR-PMACEKPBSA-N 1 3 371.529 2.529 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)[C@H]1CCN(C)C1 ZINC000881132444 1016168287 /nfs/dbraw/zinc/16/82/87/1016168287.db2.gz ZPENEVOTDIATSR-PMACEKPBSA-N 1 3 371.529 2.529 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1)N(C)C ZINC001085025357 998704704 /nfs/dbraw/zinc/70/47/04/998704704.db2.gz VVTJQOCFCNIMTB-IXDOHACOSA-N 1 3 357.489 2.541 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1)N(C)C ZINC001085025357 998704707 /nfs/dbraw/zinc/70/47/07/998704707.db2.gz VVTJQOCFCNIMTB-IXDOHACOSA-N 1 3 357.489 2.541 20 0 FFADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CCN(CCC(F)(F)F)[C@H]3C2)CC1 ZINC001085049971 998783479 /nfs/dbraw/zinc/78/34/79/998783479.db2.gz MHRFOIUQXIBPBT-CVEARBPZSA-N 1 3 361.452 2.594 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085217423 999184831 /nfs/dbraw/zinc/18/48/31/999184831.db2.gz AVUQRCNFYPTWSC-BRWVUGGUSA-N 1 3 350.532 2.535 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085217423 999184838 /nfs/dbraw/zinc/18/48/38/999184838.db2.gz AVUQRCNFYPTWSC-BRWVUGGUSA-N 1 3 350.532 2.535 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC001085217961 999185598 /nfs/dbraw/zinc/18/55/98/999185598.db2.gz ZOANGNFEAKYUGX-KURKYZTESA-N 1 3 364.559 2.843 20 0 FFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CC[C@H](C)C2)c1 ZINC001085332963 999379675 /nfs/dbraw/zinc/37/96/75/999379675.db2.gz UBRDTLUYBVEYND-PWIZWCRZSA-N 1 3 361.505 2.993 20 0 FFADHO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H](CN)Cc2cnn(C)c2C)cc1 ZINC000903932607 1016312210 /nfs/dbraw/zinc/31/22/10/1016312210.db2.gz SVYGJVLWHHIDNM-FPOVZHCZSA-N 1 3 370.541 2.952 20 0 FFADHO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H](CN)Cc2cnn(C)c2C)cc1 ZINC000903932607 1016312221 /nfs/dbraw/zinc/31/22/21/1016312221.db2.gz SVYGJVLWHHIDNM-FPOVZHCZSA-N 1 3 370.541 2.952 20 0 FFADHO COc1ccc(C[C@@H]2CCCCN2C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903932607 1016312230 /nfs/dbraw/zinc/31/22/30/1016312230.db2.gz SVYGJVLWHHIDNM-FPOVZHCZSA-N 1 3 370.541 2.952 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC001085352367 999406069 /nfs/dbraw/zinc/40/60/69/999406069.db2.gz DHIYWNYCLRVKDI-AQNXPRMDSA-N 1 3 358.530 2.862 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001085422351 999496364 /nfs/dbraw/zinc/49/63/64/999496364.db2.gz QHEFLHKSBAVLHP-PWIZWCRZSA-N 1 3 358.530 2.674 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001085422351 999496367 /nfs/dbraw/zinc/49/63/67/999496367.db2.gz QHEFLHKSBAVLHP-PWIZWCRZSA-N 1 3 358.530 2.674 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC001085433046 999519286 /nfs/dbraw/zinc/51/92/86/999519286.db2.gz JQJRRBSYLKVOSI-NHCUHLMSSA-N 1 3 366.509 2.974 20 0 FFADHO CN(CC(=O)N[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2)C1CCCC1 ZINC001273339237 999555239 /nfs/dbraw/zinc/55/52/39/999555239.db2.gz PMJHVYJIJRGZEE-RTWAWAEBSA-N 1 3 358.530 2.940 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCc2ccccc2)CC[N@@H+]1C ZINC001085606324 999588182 /nfs/dbraw/zinc/58/81/82/999588182.db2.gz JTXNPEFVZMSXCW-PCCBWWKXSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCc2ccccc2)CC[N@H+]1C ZINC001085606324 999588186 /nfs/dbraw/zinc/58/81/86/999588186.db2.gz JTXNPEFVZMSXCW-PCCBWWKXSA-N 1 3 357.542 2.882 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001096605231 1016343708 /nfs/dbraw/zinc/34/37/08/1016343708.db2.gz FSZTXCUWECOSPV-ZFMNYDKASA-N 1 3 371.525 2.652 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC001086090943 999762003 /nfs/dbraw/zinc/76/20/03/999762003.db2.gz ZHARSNQLAHCPEX-UTJXIGIESA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC001086090943 999762005 /nfs/dbraw/zinc/76/20/05/999762005.db2.gz ZHARSNQLAHCPEX-UTJXIGIESA-N 1 3 367.896 2.804 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000743036959 999796963 /nfs/dbraw/zinc/79/69/63/999796963.db2.gz PFGQQELSVMTFKA-ICSRJNTNSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000743036959 999796965 /nfs/dbraw/zinc/79/69/65/999796965.db2.gz PFGQQELSVMTFKA-ICSRJNTNSA-N 1 3 374.598 2.942 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C1)C2 ZINC001169134423 1000024270 /nfs/dbraw/zinc/02/42/70/1000024270.db2.gz UARHXTYFSKJHGP-WRJHFWDFSA-N 1 3 357.498 2.709 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C1)C2 ZINC001169134423 1000024272 /nfs/dbraw/zinc/02/42/72/1000024272.db2.gz UARHXTYFSKJHGP-WRJHFWDFSA-N 1 3 357.498 2.709 20 0 FFADHO CCN1C[C@@H](CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)OC1=O ZINC000846840905 1000456755 /nfs/dbraw/zinc/45/67/55/1000456755.db2.gz KXHUEFNKRWAZMZ-LJQANCHMSA-N 1 3 357.498 2.815 20 0 FFADHO CCN1C[C@@H](CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)OC1=O ZINC000846840905 1000456759 /nfs/dbraw/zinc/45/67/59/1000456759.db2.gz KXHUEFNKRWAZMZ-LJQANCHMSA-N 1 3 357.498 2.815 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)[C@H](C1CC1)N1CCCC1 ZINC001109555439 1000642503 /nfs/dbraw/zinc/64/25/03/1000642503.db2.gz QSJAFGZKVUDRMV-XWSJACJDSA-N 1 3 351.510 2.722 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)[C@H](C1CC1)N1CCCC1 ZINC001109555439 1000642511 /nfs/dbraw/zinc/64/25/11/1000642511.db2.gz QSJAFGZKVUDRMV-XWSJACJDSA-N 1 3 351.510 2.722 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN([C@@H]3CCc4c3cccc4F)CC2)CC[N@@H+]1C ZINC001000701408 1016441704 /nfs/dbraw/zinc/44/17/04/1016441704.db2.gz HSEJBWVKOAECJE-QLVMHMETSA-N 1 3 371.500 2.902 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN([C@@H]3CCc4c3cccc4F)CC2)CC[N@H+]1C ZINC001000701408 1016441709 /nfs/dbraw/zinc/44/17/09/1016441709.db2.gz HSEJBWVKOAECJE-QLVMHMETSA-N 1 3 371.500 2.902 20 0 FFADHO Cc1cccc(C)c1OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674502 1000831585 /nfs/dbraw/zinc/83/15/85/1000831585.db2.gz NGRVIQCXQZKWPG-AABGKKOBSA-N 1 3 373.541 2.746 20 0 FFADHO Cc1ccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1C ZINC001000702099 1016444199 /nfs/dbraw/zinc/44/41/99/1016444199.db2.gz QAAIPYSYBQQCFW-WIYYLYMNSA-N 1 3 355.526 2.892 20 0 FFADHO Cc1ccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1C ZINC001000702099 1016444207 /nfs/dbraw/zinc/44/42/07/1016444207.db2.gz QAAIPYSYBQQCFW-WIYYLYMNSA-N 1 3 355.526 2.892 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)cc1 ZINC001091740638 1001186400 /nfs/dbraw/zinc/18/64/00/1001186400.db2.gz ADROWSJWMMGIFH-KNQAVFIVSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)cc1 ZINC001091740638 1001186404 /nfs/dbraw/zinc/18/64/04/1001186404.db2.gz ADROWSJWMMGIFH-KNQAVFIVSA-N 1 3 355.526 2.760 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001086882847 1001301489 /nfs/dbraw/zinc/30/14/89/1001301489.db2.gz PNSVEMJSSSAPES-LZLYRXPVSA-N 1 3 364.559 2.700 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(C)cs2)C1 ZINC001112548659 1001458389 /nfs/dbraw/zinc/45/83/89/1001458389.db2.gz KHOABCHRVSOGTL-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001112548458 1001458490 /nfs/dbraw/zinc/45/84/90/1001458490.db2.gz AFCNSJJWRTVAPE-AOIWGVFYSA-N 1 3 371.516 2.982 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1 ZINC001112567668 1001498878 /nfs/dbraw/zinc/49/88/78/1001498878.db2.gz BHICZGGKPAZQPQ-UNMCSNQZSA-N 1 3 357.542 2.789 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001112567893 1001498886 /nfs/dbraw/zinc/49/88/86/1001498886.db2.gz MXAPUGBKEZAVPG-LNLFQRSKSA-N 1 3 371.516 2.982 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001087062692 1001744292 /nfs/dbraw/zinc/74/42/92/1001744292.db2.gz QNUORBJOMXJTLR-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)[C@H](C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)N(C)C ZINC001183365390 1002241804 /nfs/dbraw/zinc/24/18/04/1002241804.db2.gz JGKSDRQOXPGTAM-OAQYLSRUSA-N 1 3 370.541 2.877 20 0 FFADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012809 1002283413 /nfs/dbraw/zinc/28/34/13/1002283413.db2.gz ATALJIAMIMMAFB-QMMLZNLJSA-N 1 3 365.537 2.945 20 0 FFADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012809 1002283420 /nfs/dbraw/zinc/28/34/20/1002283420.db2.gz ATALJIAMIMMAFB-QMMLZNLJSA-N 1 3 365.537 2.945 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001092049353 1002396095 /nfs/dbraw/zinc/39/60/95/1002396095.db2.gz AMEBFUHQSJIJSE-GCJKJVERSA-N 1 3 364.493 2.810 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001092049353 1002396106 /nfs/dbraw/zinc/39/61/06/1002396106.db2.gz AMEBFUHQSJIJSE-GCJKJVERSA-N 1 3 364.493 2.810 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC001086590755 1002469564 /nfs/dbraw/zinc/46/95/64/1002469564.db2.gz WUDCCTKIEAJGSY-HBMCJLEFSA-N 1 3 355.526 2.855 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC001086590755 1002469568 /nfs/dbraw/zinc/46/95/68/1002469568.db2.gz WUDCCTKIEAJGSY-HBMCJLEFSA-N 1 3 355.526 2.855 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCN(C(=O)OCc4ccccc4)C3)[C@@H]2C1 ZINC001184389069 1002585691 /nfs/dbraw/zinc/58/56/91/1002585691.db2.gz UMZMNQWTSWVVGS-NMLBUPMWSA-N 1 3 357.498 2.717 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300491 1002629262 /nfs/dbraw/zinc/62/92/62/1002629262.db2.gz XKRFBUKRVYBUEW-OPYAIIAOSA-N 1 3 361.505 2.890 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](CCc3ccc(Cl)cc3)CC2)C1=O ZINC001276267025 1016664483 /nfs/dbraw/zinc/66/44/83/1016664483.db2.gz PFBARZUNHVJANK-UHFFFAOYSA-N 1 3 363.933 2.759 20 0 FFADHO CC(C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001086601209 1002783403 /nfs/dbraw/zinc/78/34/03/1002783403.db2.gz KYNOWXSREKIYKJ-PWRODBHTSA-N 1 3 355.526 2.853 20 0 FFADHO CC(C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001086601209 1002783413 /nfs/dbraw/zinc/78/34/13/1002783413.db2.gz KYNOWXSREKIYKJ-PWRODBHTSA-N 1 3 355.526 2.853 20 0 FFADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCN(CC[NH+](CC)CC)CC1 ZINC001170430462 1003344972 /nfs/dbraw/zinc/34/49/72/1003344972.db2.gz BKQIXWLBQNYBRL-IBGZPJMESA-N 1 3 361.530 2.696 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775486867 1003966839 /nfs/dbraw/zinc/96/68/39/1003966839.db2.gz FROBRVDJGBHINX-XLIONFOSSA-N 1 3 362.481 2.663 20 0 FFADHO C[C@H]1CN(C[C@@H](O)CCOCc2ccccc2)CCN1c1cc[nH+]cc1 ZINC001197377672 1004203588 /nfs/dbraw/zinc/20/35/88/1004203588.db2.gz OUVLHZGDFHBXFI-RXVVDRJESA-N 1 3 355.482 2.560 20 0 FFADHO COCc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001170526206 1004606149 /nfs/dbraw/zinc/60/61/49/1004606149.db2.gz WFKMYWWQXCPIEZ-UHFFFAOYSA-N 1 3 365.481 2.533 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3[nH]ccc4ncnc3-4)c3ccccc23)CC1 ZINC001170526385 1004608496 /nfs/dbraw/zinc/60/84/96/1004608496.db2.gz YVINQOKZJLPAFY-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001195581386 1004991311 /nfs/dbraw/zinc/99/13/11/1004991311.db2.gz RDAYROJZYAGSOU-VAMGGRTRSA-N 1 3 365.562 2.525 20 0 FFADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001195581386 1004991314 /nfs/dbraw/zinc/99/13/14/1004991314.db2.gz RDAYROJZYAGSOU-VAMGGRTRSA-N 1 3 365.562 2.525 20 0 FFADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC2(C1)CN(C1CCCC1)C2 ZINC001273859118 1005131174 /nfs/dbraw/zinc/13/11/74/1005131174.db2.gz UWUQOYIUXXDBAB-IBGZPJMESA-N 1 3 353.510 2.595 20 0 FFADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC2(C1)CN(C1CCCC1)C2 ZINC001273859118 1005131176 /nfs/dbraw/zinc/13/11/76/1005131176.db2.gz UWUQOYIUXXDBAB-IBGZPJMESA-N 1 3 353.510 2.595 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001097063630 1016962725 /nfs/dbraw/zinc/96/27/25/1016962725.db2.gz OQIDKTOAFPUEAA-CGXNFDGLSA-N 1 3 355.526 2.823 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001097063630 1016962713 /nfs/dbraw/zinc/96/27/13/1016962713.db2.gz OQIDKTOAFPUEAA-CGXNFDGLSA-N 1 3 355.526 2.823 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001110616991 1005764458 /nfs/dbraw/zinc/76/44/58/1005764458.db2.gz YFLXVPMXQUPEJV-SPUZQDLCSA-N 1 3 367.534 2.692 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001110616991 1005764460 /nfs/dbraw/zinc/76/44/60/1005764460.db2.gz YFLXVPMXQUPEJV-SPUZQDLCSA-N 1 3 367.534 2.692 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001097085773 1017013105 /nfs/dbraw/zinc/01/31/05/1017013105.db2.gz OZCKFKBZVDDWRX-YSFYHYPLSA-N 1 3 367.537 2.812 20 0 FFADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CCc4c(ccc(=O)n4CCN4CCCC4)C3)C[C@@H]21 ZINC001170715863 1006079157 /nfs/dbraw/zinc/07/91/57/1006079157.db2.gz MBQSXACRGXGERZ-LWYYNNOASA-N 1 3 369.553 2.826 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881470448 1006114771 /nfs/dbraw/zinc/11/47/71/1006114771.db2.gz RFZFAGCQZPSYJZ-NRFANRHFSA-N 1 3 371.525 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)CC[N@@H+]1C ZINC001097101367 1017037427 /nfs/dbraw/zinc/03/74/27/1017037427.db2.gz NGNDUDZZVQRMCD-SJQORLFUSA-N 1 3 361.555 2.742 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)CC[N@H+]1C ZINC001097101367 1017037440 /nfs/dbraw/zinc/03/74/40/1017037440.db2.gz NGNDUDZZVQRMCD-SJQORLFUSA-N 1 3 361.555 2.742 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110660723 1006296790 /nfs/dbraw/zinc/29/67/90/1006296790.db2.gz HFHLMJDMRWKBLO-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110660723 1006296798 /nfs/dbraw/zinc/29/67/98/1006296798.db2.gz HFHLMJDMRWKBLO-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205358 1006465501 /nfs/dbraw/zinc/46/55/01/1006465501.db2.gz JZDCTOFZGCQXQR-XUVXKRRUSA-N 1 3 365.562 2.599 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205358 1006465512 /nfs/dbraw/zinc/46/55/12/1006465512.db2.gz JZDCTOFZGCQXQR-XUVXKRRUSA-N 1 3 365.562 2.599 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)c3cc4ccccc4o3)CC2)CC1 ZINC000815092574 1006511158 /nfs/dbraw/zinc/51/11/58/1006511158.db2.gz LEWVREHPLXJKJA-LJQANCHMSA-N 1 3 371.525 2.816 20 0 FFADHO O=c1oc2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2o1 ZINC000883167036 1006682997 /nfs/dbraw/zinc/68/29/97/1006682997.db2.gz OAMMDPIBVIKBMK-UHFFFAOYSA-N 1 3 353.422 2.783 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C2)nn1 ZINC000883432436 1006790222 /nfs/dbraw/zinc/79/02/22/1006790222.db2.gz RGDVURPCEVNQSA-VAMGGRTRSA-N 1 3 355.486 2.684 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)C2)nn1 ZINC000883432436 1006790233 /nfs/dbraw/zinc/79/02/33/1006790233.db2.gz RGDVURPCEVNQSA-VAMGGRTRSA-N 1 3 355.486 2.684 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(Cc4ccc(C5CC5)cc4)C[C@H]32)CC1 ZINC001188971163 1006829337 /nfs/dbraw/zinc/82/93/37/1006829337.db2.gz OOTLJAGDQOOQDV-LEWJYISDSA-N 1 3 367.537 2.939 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC([NH3+])(CC)CC3)c(C)c2)CC1 ZINC000883524368 1006837152 /nfs/dbraw/zinc/83/71/52/1006837152.db2.gz WAQQMMAQTWSZGZ-UHFFFAOYSA-N 1 3 373.545 2.872 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]21 ZINC001189118187 1006894569 /nfs/dbraw/zinc/89/45/69/1006894569.db2.gz RPRCVVMDAZYNCD-HRCADAONSA-N 1 3 361.452 2.736 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]21 ZINC001189118187 1006894577 /nfs/dbraw/zinc/89/45/77/1006894577.db2.gz RPRCVVMDAZYNCD-HRCADAONSA-N 1 3 361.452 2.736 20 0 FFADHO C[NH2+]CCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000884178492 1007291981 /nfs/dbraw/zinc/29/19/81/1007291981.db2.gz MUWXTMIJCLKGSN-GOSISDBHSA-N 1 3 373.522 2.913 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c(N)c1Cl ZINC000855347248 1007294984 /nfs/dbraw/zinc/29/49/84/1007294984.db2.gz ZUPKHZJIENYSIG-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c(N)c1Cl ZINC000855347248 1007294991 /nfs/dbraw/zinc/29/49/91/1007294991.db2.gz ZUPKHZJIENYSIG-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)ccc1OC ZINC000775381600 1007607090 /nfs/dbraw/zinc/60/70/90/1007607090.db2.gz TWCJIYXNGVHTAD-MSOLQXFVSA-N 1 3 363.546 2.908 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCC[NH2+]C1 ZINC000817983461 1007838139 /nfs/dbraw/zinc/83/81/39/1007838139.db2.gz DWFJJEQVXFBDGG-DLBZAZTESA-N 1 3 357.498 2.963 20 0 FFADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000885967646 1007857290 /nfs/dbraw/zinc/85/72/90/1007857290.db2.gz VFXJTDYLFQHUOB-NHCUHLMSSA-N 1 3 358.526 2.869 20 0 FFADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccnc(N)c3)C2)ccn1 ZINC000856603568 1007909889 /nfs/dbraw/zinc/90/98/89/1007909889.db2.gz BZRMKIKJMGGGFA-LJQANCHMSA-N 1 3 355.486 2.552 20 0 FFADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccnc(N)c3)C2)ccn1 ZINC000856603568 1007909902 /nfs/dbraw/zinc/90/99/02/1007909902.db2.gz BZRMKIKJMGGGFA-LJQANCHMSA-N 1 3 355.486 2.552 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccc(Cl)cc3)cc2)CC1 ZINC000818955743 1007992957 /nfs/dbraw/zinc/99/29/57/1007992957.db2.gz CMVKBROGQKVWST-NRFANRHFSA-N 1 3 373.928 2.911 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccc2C)CC1 ZINC000818956929 1007993178 /nfs/dbraw/zinc/99/31/78/1007993178.db2.gz BZRPNGFHUYWRIG-HSZRJFAPSA-N 1 3 367.537 2.956 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819134983 1008039642 /nfs/dbraw/zinc/03/96/42/1008039642.db2.gz QVUFGZVEVHHCME-HLIPFELVSA-N 1 3 369.550 2.601 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819134983 1008039646 /nfs/dbraw/zinc/03/96/46/1008039646.db2.gz QVUFGZVEVHHCME-HLIPFELVSA-N 1 3 369.550 2.601 20 0 FFADHO COC(=O)N1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886520779 1008714286 /nfs/dbraw/zinc/71/42/86/1008714286.db2.gz MNVFFLZVIIHSTD-NMLBUPMWSA-N 1 3 357.498 2.860 20 0 FFADHO OCC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCOCC1 ZINC000886590456 1008760905 /nfs/dbraw/zinc/76/09/05/1008760905.db2.gz VZRZXSGYUREVHS-FKVLARQCSA-N 1 3 358.526 2.807 20 0 FFADHO CN1CCC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001136709729 1009030330 /nfs/dbraw/zinc/03/03/30/1009030330.db2.gz VIZDGEMNLKBCEV-FUHWJXTLSA-N 1 3 369.431 2.651 20 0 FFADHO CN1CCC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001136709729 1009030346 /nfs/dbraw/zinc/03/03/46/1009030346.db2.gz VIZDGEMNLKBCEV-FUHWJXTLSA-N 1 3 369.431 2.651 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C ZINC001093024584 1009638259 /nfs/dbraw/zinc/63/82/59/1009638259.db2.gz AHWYCRBYQPFBGA-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC001093024584 1009638265 /nfs/dbraw/zinc/63/82/65/1009638265.db2.gz AHWYCRBYQPFBGA-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277214 1009778655 /nfs/dbraw/zinc/77/86/55/1009778655.db2.gz SAZQNDQROCXRNT-OKZBNKHCSA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277214 1009778670 /nfs/dbraw/zinc/77/86/70/1009778670.db2.gz SAZQNDQROCXRNT-OKZBNKHCSA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277214 1009778686 /nfs/dbraw/zinc/77/86/86/1009778686.db2.gz SAZQNDQROCXRNT-OKZBNKHCSA-N 1 3 369.550 2.721 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccoc3)C3CC3)CC2)CC1 ZINC000889092295 1009821775 /nfs/dbraw/zinc/82/17/75/1009821775.db2.gz YPQOAGLYDPLJNY-UHFFFAOYSA-N 1 3 359.514 2.967 20 0 FFADHO COc1ccc(-c2cc(CN3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)no2)cc1 ZINC001206826743 1032445761 /nfs/dbraw/zinc/44/57/61/1032445761.db2.gz SUFGBPRYYFPEBP-VQTJNVASSA-N 1 3 370.497 2.560 20 0 FFADHO COc1ccc(-c2cc(CN3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)no2)cc1 ZINC001206826743 1032445766 /nfs/dbraw/zinc/44/57/66/1032445766.db2.gz SUFGBPRYYFPEBP-VQTJNVASSA-N 1 3 370.497 2.560 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182015311 1010360847 /nfs/dbraw/zinc/36/08/47/1010360847.db2.gz ZNMKHHJCIODHAQ-YYWHXJBOSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1c(F)cccc1F ZINC001093822332 1010594105 /nfs/dbraw/zinc/59/41/05/1010594105.db2.gz NSCURGJVWASCLQ-HUUCEWRRSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001093822910 1010594401 /nfs/dbraw/zinc/59/44/01/1010594401.db2.gz YGSQLXLXDUZZJI-QFUCXCTJSA-N 1 3 357.542 2.828 20 0 FFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1 ZINC001094041834 1010803910 /nfs/dbraw/zinc/80/39/10/1010803910.db2.gz GWMUPIJQAMWAOQ-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001094075053 1010834518 /nfs/dbraw/zinc/83/45/18/1010834518.db2.gz XSCSRCFMQPMJTJ-SJLPKXTDSA-N 1 3 354.498 2.960 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](C)C1 ZINC001094088667 1010849380 /nfs/dbraw/zinc/84/93/80/1010849380.db2.gz GOAXTZLXNIWERN-QWFCFKBJSA-N 1 3 358.530 2.529 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)cs1 ZINC001094131032 1010877651 /nfs/dbraw/zinc/87/76/51/1010877651.db2.gz KEOXEZSMTSWXRO-VQIMIIECSA-N 1 3 363.571 2.973 20 0 FFADHO Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001094241725 1010985305 /nfs/dbraw/zinc/98/53/05/1010985305.db2.gz YYFYYACZAIAEIB-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868114092 1011172631 /nfs/dbraw/zinc/17/26/31/1011172631.db2.gz ASVHBZWFBSEABV-RTBURBONSA-N 1 3 374.554 2.636 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274407797 1011427882 /nfs/dbraw/zinc/42/78/82/1011427882.db2.gz GOTDJAKEUGDYDO-LJQANCHMSA-N 1 3 358.530 2.704 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274407797 1011427887 /nfs/dbraw/zinc/42/78/87/1011427887.db2.gz GOTDJAKEUGDYDO-LJQANCHMSA-N 1 3 358.530 2.704 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001274420116 1011432525 /nfs/dbraw/zinc/43/25/25/1011432525.db2.gz XRBANWOYAQCSCN-JKSUJKDBSA-N 1 3 361.452 2.738 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000645693462 1011568367 /nfs/dbraw/zinc/56/83/67/1011568367.db2.gz ZYQCXLOBLSYPBD-PKOBYXMFSA-N 1 3 366.509 2.978 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)C2 ZINC001172117026 1011650337 /nfs/dbraw/zinc/65/03/37/1011650337.db2.gz NNVGHTBJLFGQCV-VRRLNDPFSA-N 1 3 373.516 2.978 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)C2 ZINC001172117026 1011650356 /nfs/dbraw/zinc/65/03/56/1011650356.db2.gz NNVGHTBJLFGQCV-VRRLNDPFSA-N 1 3 373.516 2.978 20 0 FFADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172160276 1011673543 /nfs/dbraw/zinc/67/35/43/1011673543.db2.gz SHTZCWLGTXXOKF-ROUUACIJSA-N 1 3 361.917 2.829 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646064944 1011714961 /nfs/dbraw/zinc/71/49/61/1011714961.db2.gz RNBCDYHVQCLCPA-JRGCBEDISA-N 1 3 355.526 2.745 20 0 FFADHO CCCN(C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@H]1CCN(C)C1 ZINC000646277924 1011827999 /nfs/dbraw/zinc/82/79/99/1011827999.db2.gz ZAMRAAVAUQVBKI-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001172749428 1011982211 /nfs/dbraw/zinc/98/22/11/1011982211.db2.gz BJXUEMWEXSKYLC-SFHVURJKSA-N 1 3 361.530 2.644 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1=O ZINC001275139701 1011989286 /nfs/dbraw/zinc/98/92/86/1011989286.db2.gz POORQHMDKBMBLT-SFHVURJKSA-N 1 3 369.431 2.881 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1=O ZINC001275139701 1011989292 /nfs/dbraw/zinc/98/92/92/1011989292.db2.gz POORQHMDKBMBLT-SFHVURJKSA-N 1 3 369.431 2.881 20 0 FFADHO CC(C)(C)OC(=O)CN1CCC(N2CCC([NH3+])(CC3CCC3)CC2)CC1 ZINC001172888692 1012089728 /nfs/dbraw/zinc/08/97/28/1012089728.db2.gz WHFDDCRHOZUOQQ-UHFFFAOYSA-N 1 3 365.562 2.776 20 0 FFADHO CC1CCN(CCNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000646678633 1012125563 /nfs/dbraw/zinc/12/55/63/1012125563.db2.gz VKJVOPRQSYMEEX-OAQYLSRUSA-N 1 3 357.542 2.789 20 0 FFADHO CC1CCN(CCNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000646678633 1012125575 /nfs/dbraw/zinc/12/55/75/1012125575.db2.gz VKJVOPRQSYMEEX-OAQYLSRUSA-N 1 3 357.542 2.789 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCN(c3nccc(Cl)n3)CC2)CC1 ZINC001173114555 1012260974 /nfs/dbraw/zinc/26/09/74/1012260974.db2.gz OZGMPJKUAHLFRZ-UHFFFAOYSA-N 1 3 351.926 2.905 20 0 FFADHO CC[C@@H]1CN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647011297 1012334105 /nfs/dbraw/zinc/33/41/05/1012334105.db2.gz CGRMQINXESZXQH-DUXKGJEZSA-N 1 3 357.542 2.915 20 0 FFADHO CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001173263331 1012378550 /nfs/dbraw/zinc/37/85/50/1012378550.db2.gz HVSRUTBISIWQKU-MISYRCLQSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001173263335 1012379434 /nfs/dbraw/zinc/37/94/34/1012379434.db2.gz HVSRUTBISIWQKU-YZGWKJHDSA-N 1 3 357.542 2.970 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2cc(Cl)ccc2[nH]1 ZINC001275441241 1012466482 /nfs/dbraw/zinc/46/64/82/1012466482.db2.gz NRRCMZGNKSGILI-RTBURBONSA-N 1 3 374.916 2.948 20 0 FFADHO Cc1ncc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CCN(C)C)C3=O)s1 ZINC001275442889 1012469619 /nfs/dbraw/zinc/46/96/19/1012469619.db2.gz LGMPZWXLDXCHFU-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1ncc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CCN(C)C)C3=O)s1 ZINC001275442889 1012469630 /nfs/dbraw/zinc/46/96/30/1012469630.db2.gz LGMPZWXLDXCHFU-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)cc2)CC1 ZINC000870993459 1012672612 /nfs/dbraw/zinc/67/26/12/1012672612.db2.gz ZMKCZHCLBSHOPX-JOCHJYFZSA-N 1 3 372.557 2.666 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC001275656134 1012775045 /nfs/dbraw/zinc/77/50/45/1012775045.db2.gz WNXCNLYJPKLEAF-GOSISDBHSA-N 1 3 369.431 2.691 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC001275656134 1012775060 /nfs/dbraw/zinc/77/50/60/1012775060.db2.gz WNXCNLYJPKLEAF-GOSISDBHSA-N 1 3 369.431 2.691 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001222027174 1032664776 /nfs/dbraw/zinc/66/47/76/1032664776.db2.gz MXBHLMYOQAOQCM-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO [NH3+]C1(c2ccc(Cl)cc2)CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173747280 1012939860 /nfs/dbraw/zinc/93/98/60/1012939860.db2.gz ROOHHTFYVNHVRY-IRXDYDNUSA-N 1 3 360.893 2.760 20 0 FFADHO C[N@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173757641 1012947513 /nfs/dbraw/zinc/94/75/13/1012947513.db2.gz ABYFEVCHDVPQFX-UXHICEINSA-N 1 3 354.502 2.753 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173757641 1012947522 /nfs/dbraw/zinc/94/75/22/1012947522.db2.gz ABYFEVCHDVPQFX-UXHICEINSA-N 1 3 354.502 2.753 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](CCCc3cccc(F)c3)CC2)C1=O ZINC001275763386 1012977525 /nfs/dbraw/zinc/97/75/25/1012977525.db2.gz DUDBACNLCPVKHH-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001097213169 1017197371 /nfs/dbraw/zinc/19/73/71/1017197371.db2.gz BKVQWKHYJDIUSY-NCYKPQTJSA-N 1 3 355.526 2.886 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001097213169 1017197381 /nfs/dbraw/zinc/19/73/81/1017197381.db2.gz BKVQWKHYJDIUSY-NCYKPQTJSA-N 1 3 355.526 2.886 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001052393031 1017393730 /nfs/dbraw/zinc/39/37/30/1017393730.db2.gz DGPYBZIELACJBV-BHIYHBOVSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001052393031 1017393741 /nfs/dbraw/zinc/39/37/41/1017393741.db2.gz DGPYBZIELACJBV-BHIYHBOVSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ncccc3C)CC2)CC[N@@H+]1C ZINC001052394881 1017395514 /nfs/dbraw/zinc/39/55/14/1017395514.db2.gz GMNVTXHWDNCUQD-CMKODMSKSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ncccc3C)CC2)CC[N@H+]1C ZINC001052394881 1017395522 /nfs/dbraw/zinc/39/55/22/1017395522.db2.gz GMNVTXHWDNCUQD-CMKODMSKSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@H](NCc1cccnc1N1CCN(C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000924808427 1017493510 /nfs/dbraw/zinc/49/35/10/1017493510.db2.gz SIVNCLWVTGNMIE-SFHVURJKSA-N 1 3 367.541 2.746 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925325246 1017707722 /nfs/dbraw/zinc/70/77/22/1017707722.db2.gz GDYPTLWZEGWLIV-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925325246 1017707734 /nfs/dbraw/zinc/70/77/34/1017707734.db2.gz GDYPTLWZEGWLIV-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnnn1-c1ccccc1 ZINC000925439883 1017741971 /nfs/dbraw/zinc/74/19/71/1017741971.db2.gz OBQSVEWEZWYYNF-KSZLIROESA-N 1 3 357.502 2.807 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2cccs2)CC[N@@H+]1C ZINC001097721698 1017849122 /nfs/dbraw/zinc/84/91/22/1017849122.db2.gz UDGBYBUDDULMJG-APWQULEDSA-N 1 3 361.555 2.742 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2cccs2)CC[N@H+]1C ZINC001097721698 1017849140 /nfs/dbraw/zinc/84/91/40/1017849140.db2.gz UDGBYBUDDULMJG-APWQULEDSA-N 1 3 361.555 2.742 20 0 FFADHO COc1ccc([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cc1O ZINC000925812887 1017859668 /nfs/dbraw/zinc/85/96/68/1017859668.db2.gz CYLFBUJGCSFFJG-MRXNPFEDSA-N 1 3 355.482 2.657 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000680913636 1018255122 /nfs/dbraw/zinc/25/51/22/1018255122.db2.gz FOFNZYWXSMFZJQ-FUHIMQAGSA-N 1 3 358.530 2.536 20 0 FFADHO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000681187379 1018404665 /nfs/dbraw/zinc/40/46/65/1018404665.db2.gz SUEIXTORFLOPMA-HXUWFJFHSA-N 1 3 358.530 2.949 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000681187379 1018404670 /nfs/dbraw/zinc/40/46/70/1018404670.db2.gz SUEIXTORFLOPMA-HXUWFJFHSA-N 1 3 358.530 2.949 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000478258655 1019691936 /nfs/dbraw/zinc/69/19/36/1019691936.db2.gz VOIFFATVRMZXOS-HNNXBMFYSA-N 1 3 361.530 2.921 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1)c1ccccc1 ZINC000930736318 1020155900 /nfs/dbraw/zinc/15/59/00/1020155900.db2.gz ISFPAUUOUUKTBE-DNVJHFABSA-N 1 3 368.521 2.577 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@H+]1CC[C@@H](O)[C@@H](CO)C1)c1ccccc1 ZINC000930736318 1020155911 /nfs/dbraw/zinc/15/59/11/1020155911.db2.gz ISFPAUUOUUKTBE-DNVJHFABSA-N 1 3 368.521 2.577 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)C1 ZINC001096348823 1020176682 /nfs/dbraw/zinc/17/66/82/1020176682.db2.gz WXGFUJNOTITAQT-RDGPPVDQSA-N 1 3 361.555 2.744 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)C1 ZINC001096348823 1020176688 /nfs/dbraw/zinc/17/66/88/1020176688.db2.gz WXGFUJNOTITAQT-RDGPPVDQSA-N 1 3 361.555 2.744 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096354485 1020203928 /nfs/dbraw/zinc/20/39/28/1020203928.db2.gz IACFSSJSIYLURH-AABGKKOBSA-N 1 3 353.510 2.566 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCc4c2cccc4F)C3)CC[N@@H+]1C ZINC001072752385 1020301796 /nfs/dbraw/zinc/30/17/96/1020301796.db2.gz HXGKWBBJFBQBBC-QINHECLXSA-N 1 3 371.500 2.688 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCc4c2cccc4F)C3)CC[N@H+]1C ZINC001072752385 1020301805 /nfs/dbraw/zinc/30/18/05/1020301805.db2.gz HXGKWBBJFBQBBC-QINHECLXSA-N 1 3 371.500 2.688 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(Cc4ccccn4)C3)C2)CC[N@@H+]1C ZINC001045938456 1020349396 /nfs/dbraw/zinc/34/93/96/1020349396.db2.gz BNXBNYDCXOCEEQ-SYYKKAFVSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(Cc4ccccn4)C3)C2)CC[N@H+]1C ZINC001045938456 1020349407 /nfs/dbraw/zinc/34/94/07/1020349407.db2.gz BNXBNYDCXOCEEQ-SYYKKAFVSA-N 1 3 370.541 2.626 20 0 FFADHO C[NH+](C)CC1(O)CCN(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000931479786 1020483236 /nfs/dbraw/zinc/48/32/36/1020483236.db2.gz BNANDDYZVDWHGL-DOTOQJQBSA-N 1 3 372.431 2.557 20 0 FFADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902894727 1020552399 /nfs/dbraw/zinc/55/23/99/1020552399.db2.gz OFUUIEWHYPZHLD-KURKYZTESA-N 1 3 371.529 2.675 20 0 FFADHO OC[C@@]1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCN(Cc2ccccc2)C1 ZINC000903137120 1020697419 /nfs/dbraw/zinc/69/74/19/1020697419.db2.gz ITQLRGOGPXGXJT-XGBAPZKQSA-N 1 3 369.553 2.761 20 0 FFADHO OC[C@@]1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCN(Cc2ccccc2)C1 ZINC000903137120 1020697424 /nfs/dbraw/zinc/69/74/24/1020697424.db2.gz ITQLRGOGPXGXJT-XGBAPZKQSA-N 1 3 369.553 2.761 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)cc1 ZINC001098394976 1020870717 /nfs/dbraw/zinc/87/07/17/1020870717.db2.gz VGLJOMNHHPXLBN-NCYKPQTJSA-N 1 3 355.526 2.812 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001098394976 1020870726 /nfs/dbraw/zinc/87/07/26/1020870726.db2.gz VGLJOMNHHPXLBN-NCYKPQTJSA-N 1 3 355.526 2.812 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2)cn1 ZINC001116870894 1021463827 /nfs/dbraw/zinc/46/38/27/1021463827.db2.gz JHOVOGCBFHTEQI-RTWAWAEBSA-N 1 3 354.498 2.555 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCC(F)(F)F)C3)CC[N@@H+]1C ZINC001098996641 1021554263 /nfs/dbraw/zinc/55/42/63/1021554263.db2.gz XFCAYYAMEFPPQX-JKQORVJESA-N 1 3 361.452 2.640 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CCC(F)(F)F)C3)CC[N@H+]1C ZINC001098996641 1021554276 /nfs/dbraw/zinc/55/42/76/1021554276.db2.gz XFCAYYAMEFPPQX-JKQORVJESA-N 1 3 361.452 2.640 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)CC[N@@H+]1C ZINC001014482995 1021853935 /nfs/dbraw/zinc/85/39/35/1021853935.db2.gz JPEVZMUYQLLLRJ-TYCQWZJGSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)CC[N@H+]1C ZINC001014482995 1021853954 /nfs/dbraw/zinc/85/39/54/1021853954.db2.gz JPEVZMUYQLLLRJ-TYCQWZJGSA-N 1 3 355.526 2.985 20 0 FFADHO CCc1ccc(CCN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1 ZINC001014498791 1021875618 /nfs/dbraw/zinc/87/56/18/1021875618.db2.gz CKWRPILIGRVUKC-PCCBWWKXSA-N 1 3 357.542 2.712 20 0 FFADHO CCc1ccc(CCN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC001014498791 1021875629 /nfs/dbraw/zinc/87/56/29/1021875629.db2.gz CKWRPILIGRVUKC-PCCBWWKXSA-N 1 3 357.542 2.712 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001111467326 1021949804 /nfs/dbraw/zinc/94/98/04/1021949804.db2.gz FGEQQPCGDQQYND-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001111467326 1021949808 /nfs/dbraw/zinc/94/98/08/1021949808.db2.gz FGEQQPCGDQQYND-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099160703 1021966569 /nfs/dbraw/zinc/96/65/69/1021966569.db2.gz UFKNEKNLRZHAJH-MDKPJZGXSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099160703 1021966572 /nfs/dbraw/zinc/96/65/72/1021966572.db2.gz UFKNEKNLRZHAJH-MDKPJZGXSA-N 1 3 359.489 2.557 20 0 FFADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520069 1033024723 /nfs/dbraw/zinc/02/47/23/1033024723.db2.gz AMPQUNOSAYTZKZ-HXOBKFHXSA-N 1 3 369.553 2.574 20 0 FFADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520069 1033024738 /nfs/dbraw/zinc/02/47/38/1033024738.db2.gz AMPQUNOSAYTZKZ-HXOBKFHXSA-N 1 3 369.553 2.574 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001099269447 1022198809 /nfs/dbraw/zinc/19/88/09/1022198809.db2.gz LIYZUTLYPXCORY-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1)N(C)C ZINC001019394440 1022447429 /nfs/dbraw/zinc/44/74/29/1022447429.db2.gz GNTPUEFTUXVBLX-XSLAGTTESA-N 1 3 365.468 2.566 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2ncccc2c1 ZINC001111230735 1022507630 /nfs/dbraw/zinc/50/76/30/1022507630.db2.gz VCXHIOJYHQKMPO-NRSPTQNISA-N 1 3 366.509 2.798 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2ncccc2c1 ZINC001111230735 1022507639 /nfs/dbraw/zinc/50/76/39/1022507639.db2.gz VCXHIOJYHQKMPO-NRSPTQNISA-N 1 3 366.509 2.798 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001122249132 1023145042 /nfs/dbraw/zinc/14/50/42/1023145042.db2.gz PUXRAHWWTVYTRF-OKZBNKHCSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[C@@H]1C[NH3+] ZINC001120474912 1023334477 /nfs/dbraw/zinc/33/44/77/1023334477.db2.gz NNUIKAGPHNZJLB-OAGGEKHMSA-N 1 3 350.532 2.511 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001120647326 1023402735 /nfs/dbraw/zinc/40/27/35/1023402735.db2.gz YZJNYGCVNWNAHM-QWFCFKBJSA-N 1 3 358.530 2.538 20 0 FFADHO Cc1cc2ncn(C[NH+]3CCC(C)(CN4CCN(C)CC4)CC3)c2cc1C ZINC000758253204 1023999006 /nfs/dbraw/zinc/99/90/06/1023999006.db2.gz LTGUFALVUYXIGY-UHFFFAOYSA-N 1 3 369.557 2.960 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001121909393 1024159710 /nfs/dbraw/zinc/15/97/10/1024159710.db2.gz QGRMIHFMFWEVHZ-IRXDYDNUSA-N 1 3 359.514 2.657 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101443655 1024758317 /nfs/dbraw/zinc/75/83/17/1024758317.db2.gz NAEPSYDVLAXDHW-SCTDSRPQSA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101443655 1024758326 /nfs/dbraw/zinc/75/83/26/1024758326.db2.gz NAEPSYDVLAXDHW-SCTDSRPQSA-N 1 3 371.516 2.934 20 0 FFADHO CN(CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000083037620 1025043177 /nfs/dbraw/zinc/04/31/77/1025043177.db2.gz ABCIMMOOINYIGL-LJQANCHMSA-N 1 3 352.482 2.937 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974554 1025232327 /nfs/dbraw/zinc/23/23/27/1025232327.db2.gz FHJUEJRDNCTMLA-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974554 1025232335 /nfs/dbraw/zinc/23/23/35/1025232335.db2.gz FHJUEJRDNCTMLA-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974740 1025233606 /nfs/dbraw/zinc/23/36/06/1025233606.db2.gz OFARLRAIMAJGSF-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046147 1025351182 /nfs/dbraw/zinc/35/11/82/1025351182.db2.gz PAXAIZNPQIWQTB-ZPPSIVDRSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046147 1025351187 /nfs/dbraw/zinc/35/11/87/1025351187.db2.gz PAXAIZNPQIWQTB-ZPPSIVDRSA-N 1 3 355.526 2.868 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047853 1025354266 /nfs/dbraw/zinc/35/42/66/1025354266.db2.gz VJQZELLCMFMSNO-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047853 1025354272 /nfs/dbraw/zinc/35/42/72/1025354272.db2.gz VJQZELLCMFMSNO-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102049766 1025355797 /nfs/dbraw/zinc/35/57/97/1025355797.db2.gz BTUSCJYVRLZJHJ-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102049766 1025355814 /nfs/dbraw/zinc/35/58/14/1025355814.db2.gz BTUSCJYVRLZJHJ-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102050113 1025358951 /nfs/dbraw/zinc/35/89/51/1025358951.db2.gz UWWUJOSQXOMIPB-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102050113 1025358970 /nfs/dbraw/zinc/35/89/70/1025358970.db2.gz UWWUJOSQXOMIPB-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051661 1025364444 /nfs/dbraw/zinc/36/44/44/1025364444.db2.gz DALCOCMREZEARJ-SJLPKXTDSA-N 1 3 361.505 2.537 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051661 1025364457 /nfs/dbraw/zinc/36/44/57/1025364457.db2.gz DALCOCMREZEARJ-SJLPKXTDSA-N 1 3 361.505 2.537 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1C)N(C)C ZINC001102070326 1025387355 /nfs/dbraw/zinc/38/73/55/1025387355.db2.gz GELSZYYQDQGUQI-JZGBGHTLSA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1C)N(C)C ZINC001102070326 1025387371 /nfs/dbraw/zinc/38/73/71/1025387371.db2.gz GELSZYYQDQGUQI-JZGBGHTLSA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)COC(=O)N1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000089144837 1025485777 /nfs/dbraw/zinc/48/57/77/1025485777.db2.gz AQWUKCWHIMTXEW-QZTJIDSGSA-N 1 3 369.550 2.722 20 0 FFADHO COc1ncc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1C(F)(F)F ZINC001218693825 1033287046 /nfs/dbraw/zinc/28/70/46/1033287046.db2.gz UTWKFSHAFDASLW-ZDUSSCGKSA-N 1 3 362.396 2.543 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000637716205 1025541986 /nfs/dbraw/zinc/54/19/86/1025541986.db2.gz AUARKIAUWLOONG-MQEZQYLSSA-N 1 3 370.541 2.836 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000637716205 1025541997 /nfs/dbraw/zinc/54/19/97/1025541997.db2.gz AUARKIAUWLOONG-MQEZQYLSSA-N 1 3 370.541 2.836 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)CC3CC[NH+](C)CC3)C2)cc1 ZINC000637723650 1025548775 /nfs/dbraw/zinc/54/87/75/1025548775.db2.gz QJNFGWUORJWBJB-FQEVSTJZSA-N 1 3 358.530 2.553 20 0 FFADHO N[C@H](C(=O)Nc1cnc2c(cccc2C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001218707865 1033290856 /nfs/dbraw/zinc/29/08/56/1033290856.db2.gz VFMMOWNUBAVAON-AWEZNQCLSA-N 1 3 352.360 2.519 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102337732 1025771510 /nfs/dbraw/zinc/77/15/10/1025771510.db2.gz QJEWYIZQHDLKRW-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102337732 1025771522 /nfs/dbraw/zinc/77/15/22/1025771522.db2.gz QJEWYIZQHDLKRW-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000638346127 1025793527 /nfs/dbraw/zinc/79/35/27/1025793527.db2.gz VIEYHKHASRDAPV-UHFFFAOYSA-N 1 3 359.558 2.518 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102370042 1025823127 /nfs/dbraw/zinc/82/31/27/1025823127.db2.gz OZRWBRJIKUHRTG-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102370042 1025823143 /nfs/dbraw/zinc/82/31/43/1025823143.db2.gz OZRWBRJIKUHRTG-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2C)C1 ZINC001102369792 1025825280 /nfs/dbraw/zinc/82/52/80/1025825280.db2.gz HACVQMLXJHQAAT-ZHALLVOQSA-N 1 3 369.509 2.959 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]2C)C1 ZINC001102369792 1025825303 /nfs/dbraw/zinc/82/53/03/1025825303.db2.gz HACVQMLXJHQAAT-ZHALLVOQSA-N 1 3 369.509 2.959 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368313 1025829389 /nfs/dbraw/zinc/82/93/89/1025829389.db2.gz PNDCZFILOHASOT-SVFBPWRDSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102368313 1025829402 /nfs/dbraw/zinc/82/94/02/1025829402.db2.gz PNDCZFILOHASOT-SVFBPWRDSA-N 1 3 357.542 2.788 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102371526 1025830292 /nfs/dbraw/zinc/83/02/92/1025830292.db2.gz HFKTYYKRQQKBHR-SYYKKAFVSA-N 1 3 371.569 2.954 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102371526 1025830312 /nfs/dbraw/zinc/83/03/12/1025830312.db2.gz HFKTYYKRQQKBHR-SYYKKAFVSA-N 1 3 371.569 2.954 20 0 FFADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372916 1025835976 /nfs/dbraw/zinc/83/59/76/1025835976.db2.gz QFKPYKMWSOEEID-HLIPFELVSA-N 1 3 355.542 2.929 20 0 FFADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372916 1025835998 /nfs/dbraw/zinc/83/59/98/1025835998.db2.gz QFKPYKMWSOEEID-HLIPFELVSA-N 1 3 355.542 2.929 20 0 FFADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1C(F)(F)F ZINC000638559795 1025893286 /nfs/dbraw/zinc/89/32/86/1025893286.db2.gz QRGYMNQQIADMCH-IAGOWNOFSA-N 1 3 369.431 2.882 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC000638854955 1026050580 /nfs/dbraw/zinc/05/05/80/1026050580.db2.gz XOPSFLWGKSKJKD-UHFFFAOYSA-N 1 3 369.509 2.986 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102475516 1026056698 /nfs/dbraw/zinc/05/66/98/1026056698.db2.gz RNVNSAWZEOWSLF-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102475516 1026056708 /nfs/dbraw/zinc/05/67/08/1026056708.db2.gz RNVNSAWZEOWSLF-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO [NH3+][C@H]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000639028505 1026138985 /nfs/dbraw/zinc/13/89/85/1026138985.db2.gz ALFVSWRWAIPURZ-JFIYKMOQSA-N 1 3 369.431 2.827 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000640491593 1026755696 /nfs/dbraw/zinc/75/56/96/1026755696.db2.gz GHKNKJKLKIBUBL-UHFFFAOYSA-N 1 3 358.530 2.602 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103084073 1026945380 /nfs/dbraw/zinc/94/53/80/1026945380.db2.gz WYXYLZIZIRNYGD-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103084073 1026945384 /nfs/dbraw/zinc/94/53/84/1026945384.db2.gz WYXYLZIZIRNYGD-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1C ZINC001103156488 1027010704 /nfs/dbraw/zinc/01/07/04/1027010704.db2.gz GJNVAJUOXGTYNP-HZPDHXFCSA-N 1 3 364.509 2.525 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1C ZINC001103156488 1027010712 /nfs/dbraw/zinc/01/07/12/1027010712.db2.gz GJNVAJUOXGTYNP-HZPDHXFCSA-N 1 3 364.509 2.525 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1C ZINC001103158171 1027012810 /nfs/dbraw/zinc/01/28/10/1027012810.db2.gz XMZAZEDJRBIETF-CEXWTWQISA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1C ZINC001103158171 1027012813 /nfs/dbraw/zinc/01/28/13/1027012813.db2.gz XMZAZEDJRBIETF-CEXWTWQISA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C ZINC001103157938 1027013630 /nfs/dbraw/zinc/01/36/30/1027013630.db2.gz KCUXJQVLSZKHFR-ZIAGYGMSSA-N 1 3 351.457 2.743 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC001103157938 1027013635 /nfs/dbraw/zinc/01/36/35/1027013635.db2.gz KCUXJQVLSZKHFR-ZIAGYGMSSA-N 1 3 351.457 2.743 20 0 FFADHO CN1CCC(N(c2ccnc(-c3ccccc3)n2)C2CC[NH2+]CC2)CC1 ZINC001158574601 1027062869 /nfs/dbraw/zinc/06/28/69/1027062869.db2.gz AHBLGYHUQJRUKA-UHFFFAOYSA-N 1 3 351.498 2.796 20 0 FFADHO CSc1nc(Cl)ncc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158580277 1027066318 /nfs/dbraw/zinc/06/63/18/1027066318.db2.gz AQGBWHXKJAITCC-UHFFFAOYSA-N 1 3 355.939 2.505 20 0 FFADHO COc1cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc2ccccc21 ZINC001158581005 1027066627 /nfs/dbraw/zinc/06/66/27/1027066627.db2.gz MPVMXFTZLIZOFD-UHFFFAOYSA-N 1 3 354.498 2.896 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000641818096 1027322782 /nfs/dbraw/zinc/32/27/82/1027322782.db2.gz RWRISTYGAVNKFN-UHFFFAOYSA-N 1 3 360.502 2.898 20 0 FFADHO Cc1cccc(N(C(=O)[C@@H](N)C2CCCCC2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339054 1027359975 /nfs/dbraw/zinc/35/99/75/1027359975.db2.gz LFJPHNCCXSCXSS-RZUBCFFCSA-N 1 3 371.525 2.757 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4c3CCC4)c3ccccc23)CC1 ZINC001159460659 1027399405 /nfs/dbraw/zinc/39/94/05/1027399405.db2.gz WWRGWTPDMSEDDC-UHFFFAOYSA-N 1 3 361.493 2.875 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2nc(C)sc2C)C[C@H]1C ZINC001103612671 1027782747 /nfs/dbraw/zinc/78/27/47/1027782747.db2.gz OXFDGNCNNJOIRG-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2nc(C)sc2C)C[C@H]1C ZINC001103612671 1027782763 /nfs/dbraw/zinc/78/27/63/1027782763.db2.gz OXFDGNCNNJOIRG-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO C[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654963 1027897564 /nfs/dbraw/zinc/89/75/64/1027897564.db2.gz JTDBTQIIUZNWFC-SJLPKXTDSA-N 1 3 364.509 2.527 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001103663850 1027919836 /nfs/dbraw/zinc/91/98/36/1027919836.db2.gz XNOGXTJYUPDFJU-VQIMIIECSA-N 1 3 360.546 2.614 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001103663850 1027919854 /nfs/dbraw/zinc/91/98/54/1027919854.db2.gz XNOGXTJYUPDFJU-VQIMIIECSA-N 1 3 360.546 2.614 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C ZINC001103664728 1027923877 /nfs/dbraw/zinc/92/38/77/1027923877.db2.gz SGFUGMXIOALIRD-CRAIPNDOSA-N 1 3 351.560 2.973 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1C ZINC001103664728 1027923888 /nfs/dbraw/zinc/92/38/88/1027923888.db2.gz SGFUGMXIOALIRD-CRAIPNDOSA-N 1 3 351.560 2.973 20 0 FFADHO CC(C)N(C[C@@H](O)c1ccc2ccccc2c1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160930514 1027928459 /nfs/dbraw/zinc/92/84/59/1027928459.db2.gz SXRITBQSPOKJPM-VQTJNVASSA-N 1 3 357.498 2.567 20 0 FFADHO CS[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@H]1[NH+]1CCCC1 ZINC001153676443 1027957423 /nfs/dbraw/zinc/95/74/23/1027957423.db2.gz NOMCAUXWYIZQON-MSOLQXFVSA-N 1 3 372.538 2.943 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103718813 1028060976 /nfs/dbraw/zinc/06/09/76/1028060976.db2.gz FYCJVKMKDBDFIH-KFWWJZLASA-N 1 3 369.962 2.927 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103718813 1028060994 /nfs/dbraw/zinc/06/09/94/1028060994.db2.gz FYCJVKMKDBDFIH-KFWWJZLASA-N 1 3 369.962 2.927 20 0 FFADHO c1cnc(NC2CC[NH+](CC3CCOCC3)CC2)c(CN2CCCC2)c1 ZINC001161216328 1028072929 /nfs/dbraw/zinc/07/29/29/1028072929.db2.gz HRSOZDFQSHEWRN-UHFFFAOYSA-N 1 3 358.530 2.980 20 0 FFADHO COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001103755490 1028141644 /nfs/dbraw/zinc/14/16/44/1028141644.db2.gz JCHYVBLMXAMVEY-IEBWSBKVSA-N 1 3 361.530 2.610 20 0 FFADHO COc1cccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001103755490 1028141650 /nfs/dbraw/zinc/14/16/50/1028141650.db2.gz JCHYVBLMXAMVEY-IEBWSBKVSA-N 1 3 361.530 2.610 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCCCCOC)C[C@H]1C ZINC001103757383 1028146748 /nfs/dbraw/zinc/14/67/48/1028146748.db2.gz YSFKZZLUPZKABK-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1C ZINC001103757383 1028146759 /nfs/dbraw/zinc/14/67/59/1028146759.db2.gz YSFKZZLUPZKABK-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2ccc(CN3CCCC3)cn2)CC1 ZINC001161366055 1028148615 /nfs/dbraw/zinc/14/86/15/1028148615.db2.gz SKJMZVNINIHSHB-IYARVYRRSA-N 1 3 352.486 2.875 20 0 FFADHO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161388389 1028155274 /nfs/dbraw/zinc/15/52/74/1028155274.db2.gz IOTCVHBQQBIELS-RZUBCFFCSA-N 1 3 357.542 2.836 20 0 FFADHO [NH3+]C1(C(=O)N2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC1 ZINC001161420562 1028162301 /nfs/dbraw/zinc/16/23/01/1028162301.db2.gz HPLOYOQDHKUSQV-UHFFFAOYSA-N 1 3 361.489 2.802 20 0 FFADHO O=C(c1csc([C@H]2CCCN2)n1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161431083 1028168425 /nfs/dbraw/zinc/16/84/25/1028168425.db2.gz WUYNUBVBUPFISA-QGZVFWFLSA-N 1 3 370.522 2.962 20 0 FFADHO C[C@@H](Nc1cccc2ccccc21)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449544 1028179938 /nfs/dbraw/zinc/17/99/38/1028179938.db2.gz NSZFJZZWXYPMRT-IEBWSBKVSA-N 1 3 368.525 2.782 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001161467937 1028190100 /nfs/dbraw/zinc/19/01/00/1028190100.db2.gz HXUSKBMLGBKBLM-SJORKVTESA-N 1 3 353.457 2.697 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]Cc1ccc(F)cc1F ZINC001103999733 1028463063 /nfs/dbraw/zinc/46/30/63/1028463063.db2.gz JRMQHLAQTMBAOR-IDHHARJASA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCNC/C=C/Cl)CCc2ccccc2)CC[N@@H+]1C ZINC001162810052 1028663850 /nfs/dbraw/zinc/66/38/50/1028663850.db2.gz BZSRRZZKJKRKAW-RDSSZPGUSA-N 1 3 363.933 2.740 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCNC/C=C/Cl)CCc2ccccc2)CC[N@H+]1C ZINC001162810052 1028663855 /nfs/dbraw/zinc/66/38/55/1028663855.db2.gz BZSRRZZKJKRKAW-RDSSZPGUSA-N 1 3 363.933 2.740 20 0 FFADHO FC(F)(F)c1ccc2nccc(NCC[C@H]3CCOC34C[NH2+]C4)c2c1 ZINC001163094934 1028793897 /nfs/dbraw/zinc/79/38/97/1028793897.db2.gz NFFWGQVRZVELFS-LBPRGKRZSA-N 1 3 351.372 2.856 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2ccc(OC)cc21 ZINC001163122114 1028807638 /nfs/dbraw/zinc/80/76/38/1028807638.db2.gz BOBHAEVIXJDFDO-UHFFFAOYSA-N 1 3 350.854 2.570 20 0 FFADHO CCN(c1ccccc1)c1cc(NC(=N)NCC[NH+](CC)CC)ncn1 ZINC001163129536 1028812460 /nfs/dbraw/zinc/81/24/60/1028812460.db2.gz MYBRHGDEOMODRQ-UHFFFAOYSA-N 1 3 355.490 2.913 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001165112814 1029398808 /nfs/dbraw/zinc/39/88/08/1029398808.db2.gz OPCNSDUCTFPRNJ-FQEVSTJZSA-N 1 3 358.530 2.757 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001165112814 1029398825 /nfs/dbraw/zinc/39/88/25/1029398825.db2.gz OPCNSDUCTFPRNJ-FQEVSTJZSA-N 1 3 358.530 2.757 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001111856054 1029626284 /nfs/dbraw/zinc/62/62/84/1029626284.db2.gz ZQPZYLYYIDFTTH-AVRDEDQJSA-N 1 3 371.525 2.508 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOC(C)C)C2)N(CC)CC ZINC001111870010 1029649248 /nfs/dbraw/zinc/64/92/48/1029649248.db2.gz WCTSLDRMMFEECR-NSHGMRRFSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOC(C)C)C2)N(CC)CC ZINC001111870010 1029649253 /nfs/dbraw/zinc/64/92/53/1029649253.db2.gz WCTSLDRMMFEECR-NSHGMRRFSA-N 1 3 353.551 2.503 20 0 FFADHO c1ccc([C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CCN2)cc1 ZINC001157764829 1029657702 /nfs/dbraw/zinc/65/77/02/1029657702.db2.gz HVIDIXOTJHRUPM-IBGZPJMESA-N 1 3 352.482 2.707 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc4cc(Cl)cnc4n3)CC2)CC1 ZINC001157837716 1029672907 /nfs/dbraw/zinc/67/29/07/1029672907.db2.gz GMGIUJDORXBBMS-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3csc4ncnc(Cl)c34)CC2)CC1 ZINC001157837879 1029673289 /nfs/dbraw/zinc/67/32/89/1029673289.db2.gz JWVFYTGALHRTDQ-UHFFFAOYSA-N 1 3 365.934 2.809 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cc(C)ccc1F)C2 ZINC001111927527 1029755797 /nfs/dbraw/zinc/75/57/97/1029755797.db2.gz AOCKZLLLWOWFOP-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cc(C)ccc1F)C2 ZINC001111927527 1029755801 /nfs/dbraw/zinc/75/58/01/1029755801.db2.gz AOCKZLLLWOWFOP-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ncccc1C)C2 ZINC001111948908 1029788231 /nfs/dbraw/zinc/78/82/31/1029788231.db2.gz CMIBOCHSRBJBJZ-RXVVDRJESA-N 1 3 358.530 2.593 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ncccc1C)C2 ZINC001111948908 1029788236 /nfs/dbraw/zinc/78/82/36/1029788236.db2.gz CMIBOCHSRBJBJZ-RXVVDRJESA-N 1 3 358.530 2.593 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)cc2)CC1 ZINC000841018369 1029980834 /nfs/dbraw/zinc/98/08/34/1029980834.db2.gz UEHUWPOXNUOMAM-HXUWFJFHSA-N 1 3 361.534 2.714 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)C3CCC([NH3+])CC3)c2)CC1 ZINC000841195374 1030103213 /nfs/dbraw/zinc/10/32/13/1030103213.db2.gz WWWGZKMODHNISP-UHFFFAOYSA-N 1 3 359.518 2.562 20 0 FFADHO c1nc(CNC2CCC2)c2n1CCCN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001165911380 1030168306 /nfs/dbraw/zinc/16/83/06/1030168306.db2.gz SBBFUJLQNZMNRI-UHFFFAOYSA-N 1 3 366.513 2.931 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)N(C)C)cc1 ZINC000841636032 1030379899 /nfs/dbraw/zinc/37/98/99/1030379899.db2.gz JKQHFONWLAICEL-NRFANRHFSA-N 1 3 368.525 2.852 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1 ZINC001112382152 1030709837 /nfs/dbraw/zinc/70/98/37/1030709837.db2.gz IDHFFHXQQKUYPF-NVXDLGARSA-N 1 3 353.938 2.832 20 0 FFADHO COCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401448 1030747474 /nfs/dbraw/zinc/74/74/74/1030747474.db2.gz FFDAMZXEKJOTDA-RXVVDRJESA-N 1 3 365.562 2.506 20 0 FFADHO COc1cc(CN2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1F ZINC001204558991 1031355439 /nfs/dbraw/zinc/35/54/39/1031355439.db2.gz JBFLOHGEHIAXCD-QZTJIDSGSA-N 1 3 358.461 2.522 20 0 FFADHO COc1cc(CN2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1F ZINC001204558991 1031355445 /nfs/dbraw/zinc/35/54/45/1031355445.db2.gz JBFLOHGEHIAXCD-QZTJIDSGSA-N 1 3 358.461 2.522 20 0 FFADHO CCOc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(F)c1F ZINC001143280024 1031388229 /nfs/dbraw/zinc/38/82/29/1031388229.db2.gz HSUIACIATVUYOI-UHFFFAOYSA-N 1 3 367.484 2.823 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001143311336 1031408856 /nfs/dbraw/zinc/40/88/56/1031408856.db2.gz IGYKSUWGUBBHFI-HXUWFJFHSA-N 1 3 373.541 2.850 20 0 FFADHO COCCN(C)Cc1ccnc(-c2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001205217794 1031603751 /nfs/dbraw/zinc/60/37/51/1031603751.db2.gz KMHZJDVXVLEMJL-UHFFFAOYSA-N 1 3 358.486 2.552 20 0 FFADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177240 1031682796 /nfs/dbraw/zinc/68/27/96/1031682796.db2.gz MZGBRDUHRHIXCI-QGZVFWFLSA-N 1 3 361.505 2.980 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1F ZINC001205621040 1031879037 /nfs/dbraw/zinc/87/90/37/1031879037.db2.gz ZXUIYKAYBFBYDK-AZUAARDMSA-N 1 3 361.505 2.994 20 0 FFADHO C[C@@H]1CCN(Cc2sc(N3CCC(O)CC3)nc2Cl)CC[C@H]1C[NH3+] ZINC001205626309 1031883656 /nfs/dbraw/zinc/88/36/56/1031883656.db2.gz FPVWPVAXHJWLBQ-OLZOCXBDSA-N 1 3 372.966 2.564 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC001218776748 1033336378 /nfs/dbraw/zinc/33/63/78/1033336378.db2.gz XUDCKEMESLNOOS-GFXBWGLESA-N 1 3 371.525 2.630 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]32)cs1 ZINC001223388017 1033422072 /nfs/dbraw/zinc/42/20/72/1033422072.db2.gz SVEBEVGNZUZRFZ-MSOLQXFVSA-N 1 3 361.555 2.821 20 0 FFADHO [NH3+]Cc1cccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000830084971 1033455469 /nfs/dbraw/zinc/45/54/69/1033455469.db2.gz BSJNDQYBVHSZIS-UHFFFAOYSA-N 1 3 371.456 2.558 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)Nc2c(F)cccc2OCC2CC[NH+](C)CC2)C1 ZINC001219299072 1033589931 /nfs/dbraw/zinc/58/99/31/1033589931.db2.gz IMCQGTPDUITGOK-PBHICJAKSA-N 1 3 363.477 2.873 20 0 FFADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773476 1033807505 /nfs/dbraw/zinc/80/75/05/1033807505.db2.gz UHNHHOKZWZHPLW-NRFANRHFSA-N 1 3 363.505 2.872 20 0 FFADHO O=C(NCCSCc1ccccc1Cl)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220084189 1033976888 /nfs/dbraw/zinc/97/68/88/1033976888.db2.gz DVUMOURCWSGSFJ-MRXNPFEDSA-N 1 3 367.946 2.564 20 0 FFADHO O=C(NCCSCc1ccccc1Cl)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220084189 1033976898 /nfs/dbraw/zinc/97/68/98/1033976898.db2.gz DVUMOURCWSGSFJ-MRXNPFEDSA-N 1 3 367.946 2.564 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001220161533 1034014720 /nfs/dbraw/zinc/01/47/20/1034014720.db2.gz CYFYEUVHHDNCPO-NNMXDRDESA-N 1 3 357.542 2.892 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCC2CCCCCC2)C[C@@H]1O)[NH+](CC)CC ZINC001220345457 1034127212 /nfs/dbraw/zinc/12/72/12/1034127212.db2.gz WWGHHFXKOFYZMQ-AQNXPRMDSA-N 1 3 367.578 2.629 20 0 FFADHO NCc1ccc(C(=O)N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)cn1 ZINC001221207903 1034602853 /nfs/dbraw/zinc/60/28/53/1034602853.db2.gz UPVMGAVGXQIUSP-IBGZPJMESA-N 1 3 356.445 2.540 20 0 FFADHO NCc1ccc(C(=O)N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)cn1 ZINC001221207904 1034603615 /nfs/dbraw/zinc/60/36/15/1034603615.db2.gz UPVMGAVGXQIUSP-LJQANCHMSA-N 1 3 356.445 2.540 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCCN(c3ccccn3)CC2)cc1 ZINC001138770272 1034635518 /nfs/dbraw/zinc/63/55/18/1034635518.db2.gz WSSBIYDEGXMEPH-UHFFFAOYSA-N 1 3 354.498 2.734 20 0 FFADHO CCc1ncnc2c1CCN(Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC001138770575 1034637771 /nfs/dbraw/zinc/63/77/71/1034637771.db2.gz KKROKNJYUVUJJX-UHFFFAOYSA-N 1 3 354.498 2.580 20 0 FFADHO CCC(=O)N(CC)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138771819 1034640387 /nfs/dbraw/zinc/64/03/87/1034640387.db2.gz FTXMSOAGVKGJFD-UHFFFAOYSA-N 1 3 361.530 2.850 20 0 FFADHO CCCC(C[NH3+])(CCC)NC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001221372417 1034695868 /nfs/dbraw/zinc/69/58/68/1034695868.db2.gz NMTRCQWBASATMI-OAHLLOKOSA-N 1 3 359.436 2.989 20 0 FFADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl)C1CC1 ZINC001226790368 1034842721 /nfs/dbraw/zinc/84/27/21/1034842721.db2.gz AQIFBDSVDMLYMB-KZNAEPCWSA-N 1 3 364.921 2.592 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1)C1CCC1 ZINC001226824508 1034853705 /nfs/dbraw/zinc/85/37/05/1034853705.db2.gz OSFAPEDSIYXTQE-RTBURBONSA-N 1 3 365.468 2.966 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1OC)N(C)C ZINC001227038629 1034916929 /nfs/dbraw/zinc/91/69/29/1034916929.db2.gz IZBAMSZVELFASC-KZNAEPCWSA-N 1 3 365.493 2.692 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1C)N(C)C ZINC001227057546 1034923195 /nfs/dbraw/zinc/92/31/95/1034923195.db2.gz UWAIJEHKDOLQAJ-GUDVDZBRSA-N 1 3 361.530 2.861 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC001227149614 1034949821 /nfs/dbraw/zinc/94/98/21/1034949821.db2.gz AAKBPVVADYUAJV-RCCFBDPRSA-N 1 3 353.551 2.693 20 0 FFADHO C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ncccn1 ZINC001227159743 1034954847 /nfs/dbraw/zinc/95/48/47/1034954847.db2.gz KHXWKHWTUVTOOR-INIZCTEOSA-N 1 3 371.529 2.801 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCc3ccc(C)cc3)C[C@H]21 ZINC001221657114 1034955698 /nfs/dbraw/zinc/95/56/98/1034955698.db2.gz KDBODNAYUOUGMY-WOJBJXKFSA-N 1 3 357.542 2.801 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCc3ccc(C)cc3)C[C@H]21 ZINC001221657114 1034955700 /nfs/dbraw/zinc/95/57/00/1034955700.db2.gz KDBODNAYUOUGMY-WOJBJXKFSA-N 1 3 357.542 2.801 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(CCc3ccc(C)cc3)C[C@H]21 ZINC001221657114 1034955705 /nfs/dbraw/zinc/95/57/05/1034955705.db2.gz KDBODNAYUOUGMY-WOJBJXKFSA-N 1 3 357.542 2.801 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(CCc3ccc(C)cc3)C[C@H]21 ZINC001221657114 1034955708 /nfs/dbraw/zinc/95/57/08/1034955708.db2.gz KDBODNAYUOUGMY-WOJBJXKFSA-N 1 3 357.542 2.801 20 0 FFADHO CO[C@H](C)CCOc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160651 1034956643 /nfs/dbraw/zinc/95/66/43/1034956643.db2.gz KKKBKERMDBILLJ-MRXNPFEDSA-N 1 3 351.535 2.675 20 0 FFADHO C[NH+](C)C1(CC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC001221713904 1035007058 /nfs/dbraw/zinc/00/70/58/1035007058.db2.gz DYWDAVYTYLGGGG-WOJBJXKFSA-N 1 3 355.526 2.984 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@H](C)c3cccc(OC)c3)C[C@H]21 ZINC001221922068 1035159196 /nfs/dbraw/zinc/15/91/96/1035159196.db2.gz YGZLBTBZDXJRBF-YVWKXTFCSA-N 1 3 359.514 2.631 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@H](C)c3cccc(OC)c3)C[C@H]21 ZINC001221922068 1035159199 /nfs/dbraw/zinc/15/91/99/1035159199.db2.gz YGZLBTBZDXJRBF-YVWKXTFCSA-N 1 3 359.514 2.631 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCOCC)C[C@H]21 ZINC001221933990 1035166050 /nfs/dbraw/zinc/16/60/50/1035166050.db2.gz WXXHNDYYXVBSGX-VAMGGRTRSA-N 1 3 365.562 2.600 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCOCC)C[C@H]21 ZINC001221933990 1035166057 /nfs/dbraw/zinc/16/60/57/1035166057.db2.gz WXXHNDYYXVBSGX-VAMGGRTRSA-N 1 3 365.562 2.600 20 0 FFADHO CCN1C[C@H](N[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)CC1=O ZINC000834888939 1035469676 /nfs/dbraw/zinc/46/96/76/1035469676.db2.gz DBACRKJJNYCGKT-QFBILLFUSA-N 1 3 359.514 2.953 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703058 1035684032 /nfs/dbraw/zinc/68/40/32/1035684032.db2.gz BECCTDOAVXBJFR-AQNXPRMDSA-N 1 3 365.562 2.693 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)CCCC1 ZINC001227750738 1035715286 /nfs/dbraw/zinc/71/52/86/1035715286.db2.gz PDNVBPMHYGRALP-IAGOWNOFSA-N 1 3 364.559 2.925 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ncc(Cl)cc3Cl)CC2)CC1 ZINC001232573803 1035829986 /nfs/dbraw/zinc/82/99/86/1035829986.db2.gz COPHHZYLOALBDB-UHFFFAOYSA-N 1 3 357.329 2.848 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCc2c1c(F)ccc2F ZINC001228365395 1036072616 /nfs/dbraw/zinc/07/26/16/1036072616.db2.gz FPMRWKXTJAKZFT-KURKYZTESA-N 1 3 365.468 2.921 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228623549 1036212430 /nfs/dbraw/zinc/21/24/30/1036212430.db2.gz DBMMUKOYCHDVON-HZPDHXFCSA-N 1 3 366.575 2.946 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001228932220 1036414757 /nfs/dbraw/zinc/41/47/57/1036414757.db2.gz KCHBHQKIYPPJPB-IPMKNSEASA-N 1 3 353.551 2.693 20 0 FFADHO COc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(Cl)c1O ZINC001233401940 1036601538 /nfs/dbraw/zinc/60/15/38/1036601538.db2.gz UQUVLCVKYODVMA-UHFFFAOYSA-N 1 3 367.921 2.514 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOC ZINC001229616161 1036779003 /nfs/dbraw/zinc/77/90/03/1036779003.db2.gz YYSYLCGPEJHWGH-QRVBRYPASA-N 1 3 353.551 2.695 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)C1CCCC1 ZINC001229869091 1036948303 /nfs/dbraw/zinc/94/83/03/1036948303.db2.gz XDMIWWMKPDMCRB-GUDVDZBRSA-N 1 3 353.551 2.550 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257569 1037180549 /nfs/dbraw/zinc/18/05/49/1037180549.db2.gz VVMGPPPVTCCHEP-RTBURBONSA-N 1 3 362.518 2.630 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001207281039 1037309588 /nfs/dbraw/zinc/30/95/88/1037309588.db2.gz ZBRXHMRFPIYLPS-NRFANRHFSA-N 1 3 358.530 2.626 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001207281039 1037309608 /nfs/dbraw/zinc/30/96/08/1037309608.db2.gz ZBRXHMRFPIYLPS-NRFANRHFSA-N 1 3 358.530 2.626 20 0 FFADHO C[NH+](C)CCN1CCN(CCCc2ccc(Br)cc2)CC1 ZINC001207318588 1037345228 /nfs/dbraw/zinc/34/52/28/1037345228.db2.gz VYPZUNGSXRJHCZ-UHFFFAOYSA-N 1 3 354.336 2.561 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(N4CCCC4)c3)CC2)CC1 ZINC001235094607 1037360098 /nfs/dbraw/zinc/36/00/98/1037360098.db2.gz CCUAJPASPXFYFF-UHFFFAOYSA-N 1 3 356.558 2.746 20 0 FFADHO Cc1cc(I)c(CN2CC[C@H](C3C[NH2+]C3)C2)cc1C ZINC001235343016 1037491134 /nfs/dbraw/zinc/49/11/34/1037491134.db2.gz ZLTYPWHNWMEGOS-ZDUSSCGKSA-N 1 3 370.278 2.949 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cccc(Cl)c3OC)C[C@@H]1CC[NH2+]CC2 ZINC001235350763 1037497391 /nfs/dbraw/zinc/49/73/91/1037497391.db2.gz YJJZEBVJWGSWTK-KXBFYZLASA-N 1 3 366.889 2.713 20 0 FFADHO COc1cc(Br)cc(OC)c1CN(C)CC1CC[NH2+]CC1 ZINC001235433054 1037547896 /nfs/dbraw/zinc/54/78/96/1037547896.db2.gz FWCDJEHTPIHBLO-UHFFFAOYSA-N 1 3 357.292 2.898 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C)N(C)C ZINC001207652805 1037631174 /nfs/dbraw/zinc/63/11/74/1037631174.db2.gz MVPVQMVXKLKWEU-OIISXLGYSA-N 1 3 359.505 2.835 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C)N(C)C ZINC001207652805 1037631183 /nfs/dbraw/zinc/63/11/83/1037631183.db2.gz MVPVQMVXKLKWEU-OIISXLGYSA-N 1 3 359.505 2.835 20 0 FFADHO [NH3+]Cc1cccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001235598851 1037638460 /nfs/dbraw/zinc/63/84/60/1037638460.db2.gz WSWLBQHNWVZUAM-PZJWPPBQSA-N 1 3 355.457 2.622 20 0 FFADHO c1c(CN2CCN3C[C@@H](Oc4ccccc4)C[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001235611458 1037645141 /nfs/dbraw/zinc/64/51/41/1037645141.db2.gz XOYNHXKZGVECGY-MJGOQNOKSA-N 1 3 369.534 2.731 20 0 FFADHO COC(=O)CCN(Cc1ccccc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235692385 1037689205 /nfs/dbraw/zinc/68/92/05/1037689205.db2.gz NKRJIEYVJAAZMO-UHFFFAOYSA-N 1 3 367.493 2.662 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC001207758195 1037699518 /nfs/dbraw/zinc/69/95/18/1037699518.db2.gz WSVLKIAXQVERMR-DBXWQHBBSA-N 1 3 371.569 2.958 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC001207758195 1037699531 /nfs/dbraw/zinc/69/95/31/1037699531.db2.gz WSVLKIAXQVERMR-DBXWQHBBSA-N 1 3 371.569 2.958 20 0 FFADHO c1ccc(COC[C@@H]2CCN2Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001235713503 1037706557 /nfs/dbraw/zinc/70/65/57/1037706557.db2.gz CCWADSYBLZVSAS-QFIPXVFZSA-N 1 3 351.494 2.887 20 0 FFADHO CCOC(=O)c1ccc(CCC[N@H+](CCCOC)[C@H]2CCCNC2)cc1 ZINC001235798433 1037749013 /nfs/dbraw/zinc/74/90/13/1037749013.db2.gz YWFWEYDHWLXQRV-FQEVSTJZSA-N 1 3 362.514 2.886 20 0 FFADHO CCOC(=O)c1ccc(CCC[N@@H+](CCCOC)[C@H]2CCCNC2)cc1 ZINC001235798433 1037749018 /nfs/dbraw/zinc/74/90/18/1037749018.db2.gz YWFWEYDHWLXQRV-FQEVSTJZSA-N 1 3 362.514 2.886 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cc4c(cccc4Cl)[nH]3)C[C@H]1C2 ZINC001236021186 1037890314 /nfs/dbraw/zinc/89/03/14/1037890314.db2.gz DSUSACFRPNJUFM-MFHIXDMVSA-N 1 3 373.884 2.652 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cc(C)c(Cl)cc3F)C[C@H]1C2 ZINC001236035972 1037897474 /nfs/dbraw/zinc/89/74/74/1037897474.db2.gz OYCSNSVCHPFLIW-GJRWTSMGSA-N 1 3 366.864 2.618 20 0 FFADHO CCOC(=O)[C@]12CN(Cc3ccc(OC)c4ccccc34)C[C@H]1C[NH2+]CC2 ZINC001236038018 1037898440 /nfs/dbraw/zinc/89/84/40/1037898440.db2.gz MYNQZUIFFLNVCU-VGOFRKELSA-N 1 3 368.477 2.823 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3cccc4[nH]cc(Cl)c43)C[C@H]1CNCC2 ZINC001236039090 1037898652 /nfs/dbraw/zinc/89/86/52/1037898652.db2.gz QLQKKBZKBMOKEH-AUUYWEPGSA-N 1 3 361.873 2.796 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cccc4[nH]cc(Cl)c43)C[C@H]1CNCC2 ZINC001236039090 1037898674 /nfs/dbraw/zinc/89/86/74/1037898674.db2.gz QLQKKBZKBMOKEH-AUUYWEPGSA-N 1 3 361.873 2.796 20 0 FFADHO C[C@H]1CN(Cc2cccc(N3CC[NH2+]CC3)c2)CCN1Cc1ccccc1 ZINC001236072775 1037914366 /nfs/dbraw/zinc/91/43/66/1037914366.db2.gz XGLMAISJKKHADM-FQEVSTJZSA-N 1 3 364.537 2.803 20 0 FFADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC001236083869 1037926695 /nfs/dbraw/zinc/92/66/95/1037926695.db2.gz WXCRDOCGUICTFN-UHFFFAOYSA-N 1 3 353.510 2.911 20 0 FFADHO CCOc1cc(CN2CCC([NH+]3CCNCC3)CC2)cc(C(F)(F)F)c1 ZINC001236128962 1037944371 /nfs/dbraw/zinc/94/43/71/1037944371.db2.gz RLYOOAMEGKRGQA-UHFFFAOYSA-N 1 3 371.447 2.974 20 0 FFADHO Fc1cc(CN2CCC([NH+]3CCNCC3)CC2)cc(OC(F)(F)F)c1 ZINC001236128900 1037944629 /nfs/dbraw/zinc/94/46/29/1037944629.db2.gz PWWHUAMUAZZTSE-UHFFFAOYSA-N 1 3 361.383 2.594 20 0 FFADHO [NH3+][C@@H]1CCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001236167844 1037962008 /nfs/dbraw/zinc/96/20/08/1037962008.db2.gz FKPPYGLMPGKUIR-OAQYLSRUSA-N 1 3 350.510 2.542 20 0 FFADHO O=C(c1ccccc1)[C@H]1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001236434866 1038088677 /nfs/dbraw/zinc/08/86/77/1038088677.db2.gz YFICFKKWRLYFLH-QFIPXVFZSA-N 1 3 363.505 2.797 20 0 FFADHO c1cc(CN2CC[NH2+]CC2)cc(CN2CCOC[C@@H]2C2CCCCC2)c1 ZINC001236434823 1038089722 /nfs/dbraw/zinc/08/97/22/1038089722.db2.gz WRTZXQXHTQZSNC-JOCHJYFZSA-N 1 3 357.542 2.873 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC001255630927 1038091286 /nfs/dbraw/zinc/09/12/86/1038091286.db2.gz SKLOXYIAQNZPDY-PXNSSMCTSA-N 1 3 366.509 2.757 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC001255630927 1038091304 /nfs/dbraw/zinc/09/13/04/1038091304.db2.gz SKLOXYIAQNZPDY-PXNSSMCTSA-N 1 3 366.509 2.757 20 0 FFADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001208166618 1038105799 /nfs/dbraw/zinc/10/57/99/1038105799.db2.gz BGITYZJYMHFWAY-AZUAARDMSA-N 1 3 357.542 2.803 20 0 FFADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001208166618 1038105809 /nfs/dbraw/zinc/10/58/09/1038105809.db2.gz BGITYZJYMHFWAY-AZUAARDMSA-N 1 3 357.542 2.803 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C)n1 ZINC001232081728 1038158278 /nfs/dbraw/zinc/15/82/78/1038158278.db2.gz FSOJUNZNNBFGSR-NHCUHLMSSA-N 1 3 370.541 2.606 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c1 ZINC001232147980 1038197143 /nfs/dbraw/zinc/19/71/43/1038197143.db2.gz FFIOGLPCKJASIZ-HDICACEKSA-N 1 3 371.456 2.684 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1[C@@H]2COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255941660 1038266478 /nfs/dbraw/zinc/26/64/78/1038266478.db2.gz WFTLENRVQXOXEK-BDXSIMOUSA-N 1 3 369.550 2.578 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255941498 1038267104 /nfs/dbraw/zinc/26/71/04/1038267104.db2.gz SCUQNRNEBBAYBP-CSNJMZFVSA-N 1 3 369.550 2.863 20 0 FFADHO CCOC(=O)N1CC[C@H](N2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)C1 ZINC001256034464 1038326880 /nfs/dbraw/zinc/32/68/80/1038326880.db2.gz XRZJFXZUFRQXNG-UFYCRDLUSA-N 1 3 357.498 2.589 20 0 FFADHO c1ccc(CO[C@@H]2CO[C@@]3(C2)CCCN(C2CC[NH+](C4CC4)CC2)C3)nc1 ZINC001256075717 1038358979 /nfs/dbraw/zinc/35/89/79/1038358979.db2.gz BJIDHHYSXOIZCE-FCHUYYIVSA-N 1 3 371.525 2.849 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001208530328 1038390162 /nfs/dbraw/zinc/39/01/62/1038390162.db2.gz PUHQEZNIEVFRKR-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001208530328 1038390172 /nfs/dbraw/zinc/39/01/72/1038390172.db2.gz PUHQEZNIEVFRKR-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001208563501 1038413018 /nfs/dbraw/zinc/41/30/18/1038413018.db2.gz TUUNPTFVEXSHJG-GUDVDZBRSA-N 1 3 355.567 2.606 20 0 FFADHO Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)C2CCN(C)CC2)cc1 ZINC001256207092 1038431183 /nfs/dbraw/zinc/43/11/83/1038431183.db2.gz BYLGSHWYXFHWKF-UHFFFAOYSA-N 1 3 351.498 2.706 20 0 FFADHO C[NH+]1CCC(N2CC[C@H]3OCCC[C@]3(COc3ncccc3F)C2)CC1 ZINC001256207312 1038431557 /nfs/dbraw/zinc/43/15/57/1038431557.db2.gz HMDWSEVHDDKHPK-UYAOXDASSA-N 1 3 363.477 2.565 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cc(Cl)ncc12 ZINC001278919927 1038434606 /nfs/dbraw/zinc/43/46/06/1038434606.db2.gz BKAYGIQRROYYOS-MQVJKMGUSA-N 1 3 361.921 2.863 20 0 FFADHO C[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001208620076 1038453368 /nfs/dbraw/zinc/45/33/68/1038453368.db2.gz MVDGQPGPJVCEFB-GPMSIDNRSA-N 1 3 359.505 2.775 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001208620076 1038453371 /nfs/dbraw/zinc/45/33/71/1038453371.db2.gz MVDGQPGPJVCEFB-GPMSIDNRSA-N 1 3 359.505 2.775 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521890 1038543596 /nfs/dbraw/zinc/54/35/96/1038543596.db2.gz FMGMLADGUYXNHM-WBVHZDCISA-N 1 3 356.470 2.744 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521890 1038543602 /nfs/dbraw/zinc/54/36/02/1038543602.db2.gz FMGMLADGUYXNHM-WBVHZDCISA-N 1 3 356.470 2.744 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256562290 1038561995 /nfs/dbraw/zinc/56/19/95/1038561995.db2.gz QIRBGIJLQRHQJK-HXUWFJFHSA-N 1 3 369.550 2.601 20 0 FFADHO CC(C)(C)OC(=O)NCCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677862 1038599745 /nfs/dbraw/zinc/59/97/45/1038599745.db2.gz PTAXXIWOXORPOS-UHFFFAOYSA-N 1 3 355.523 2.524 20 0 FFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(OC(F)F)nc3)(C1)CCC2 ZINC001278957458 1038600316 /nfs/dbraw/zinc/60/03/16/1038600316.db2.gz QBYLAHSYYPMOCO-RBUKOAKNSA-N 1 3 368.472 2.769 20 0 FFADHO Cc1ccnc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)c1 ZINC001256681399 1038600807 /nfs/dbraw/zinc/60/08/07/1038600807.db2.gz SYEAQJHRJRXQLP-UHFFFAOYSA-N 1 3 373.541 2.671 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCCN(c4ncccn4)CC3)C2)cc1 ZINC001208949323 1038600894 /nfs/dbraw/zinc/60/08/94/1038600894.db2.gz KVCMVFQSFMDNNT-HXUWFJFHSA-N 1 3 351.498 2.511 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@H+]3CCCN(c4ncccn4)CC3)C2)cc1 ZINC001208949323 1038600899 /nfs/dbraw/zinc/60/08/99/1038600899.db2.gz KVCMVFQSFMDNNT-HXUWFJFHSA-N 1 3 351.498 2.511 20 0 FFADHO c1ccc(OC2CCOCC2)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683529 1038601324 /nfs/dbraw/zinc/60/13/24/1038601324.db2.gz FALIQLARKMWKRJ-UHFFFAOYSA-N 1 3 374.525 2.977 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001256683636 1038601690 /nfs/dbraw/zinc/60/16/90/1038601690.db2.gz FQLWXFAEGOYOSY-RZZCCWGQSA-N 1 3 367.534 2.617 20 0 FFADHO O=C(C1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCCC1 ZINC001208950060 1038602541 /nfs/dbraw/zinc/60/25/41/1038602541.db2.gz PLBBMFWJFWIPPG-HXUWFJFHSA-N 1 3 355.526 2.843 20 0 FFADHO O=C(C1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCC1 ZINC001208950060 1038602545 /nfs/dbraw/zinc/60/25/45/1038602545.db2.gz PLBBMFWJFWIPPG-HXUWFJFHSA-N 1 3 355.526 2.843 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686649 1038602765 /nfs/dbraw/zinc/60/27/65/1038602765.db2.gz SBJPOMPXBBAPIT-HIEASXQVSA-N 1 3 367.534 2.665 20 0 FFADHO C(C1CC1)[N@@H+]1CCCC12CCN(C1CCC(N3CCOCC3)CC1)CC2 ZINC001256689745 1038603523 /nfs/dbraw/zinc/60/35/23/1038603523.db2.gz CMMUUTAYRKDOCV-UHFFFAOYSA-N 1 3 361.574 2.970 20 0 FFADHO C(C1CC1)[N@H+]1CCCC12CCN(C1CCC(N3CCOCC3)CC1)CC2 ZINC001256689745 1038603527 /nfs/dbraw/zinc/60/35/27/1038603527.db2.gz CMMUUTAYRKDOCV-UHFFFAOYSA-N 1 3 361.574 2.970 20 0 FFADHO Fc1cnc(OC2CC[NH+](C[C@H]3CCN(Cc4ccccc4)C3)CC2)nc1 ZINC001208956556 1038606292 /nfs/dbraw/zinc/60/62/92/1038606292.db2.gz BLHKODMFWBSNMK-GOSISDBHSA-N 1 3 370.472 2.981 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCC[C@@H](Oc4ncccn4)C3)C2)cc1 ZINC001208955883 1038606705 /nfs/dbraw/zinc/60/67/05/1038606705.db2.gz GHEWCUDJZFVPRY-WOJBJXKFSA-N 1 3 352.482 2.842 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@H+]3CCC[C@@H](Oc4ncccn4)C3)C2)cc1 ZINC001208955883 1038606711 /nfs/dbraw/zinc/60/67/11/1038606711.db2.gz GHEWCUDJZFVPRY-WOJBJXKFSA-N 1 3 352.482 2.842 20 0 FFADHO CCCNC(=O)COC1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208965012 1038609143 /nfs/dbraw/zinc/60/91/43/1038609143.db2.gz VFNZQZJSWFEOAI-HXUWFJFHSA-N 1 3 373.541 2.516 20 0 FFADHO CCCNC(=O)COC1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208965012 1038609146 /nfs/dbraw/zinc/60/91/46/1038609146.db2.gz VFNZQZJSWFEOAI-HXUWFJFHSA-N 1 3 373.541 2.516 20 0 FFADHO Cc1cnc(O[C@H]2CC[N@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965324 1038611000 /nfs/dbraw/zinc/61/10/00/1038611000.db2.gz YQVKDJISBQAMIA-PMACEKPBSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cnc(O[C@H]2CC[N@@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965324 1038611006 /nfs/dbraw/zinc/61/10/06/1038611006.db2.gz YQVKDJISBQAMIA-PMACEKPBSA-N 1 3 352.482 2.760 20 0 FFADHO CCOC[C@@H]1CN(C2CCN(c3cc[nH+]cc3)CC2)Cc2cnn(CC)c21 ZINC001256859769 1038637691 /nfs/dbraw/zinc/63/76/91/1038637691.db2.gz QPEGAZWALNFGSJ-SFHVURJKSA-N 1 3 369.513 2.903 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001257027969 1038682211 /nfs/dbraw/zinc/68/22/11/1038682211.db2.gz PRXCMYFHZFUUMD-LEWJYISDSA-N 1 3 373.541 2.646 20 0 FFADHO CCN1CCn2c(C)cnc2C12CC[NH+](C1CCN(C(C)C)CC1)CC2 ZINC001257215295 1038745988 /nfs/dbraw/zinc/74/59/88/1038745988.db2.gz AWWPLEMNBAWOGJ-UHFFFAOYSA-N 1 3 359.562 2.691 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001251125709 1038957565 /nfs/dbraw/zinc/95/75/65/1038957565.db2.gz QVIHESRCMOTYFX-IAGOWNOFSA-N 1 3 367.493 2.992 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001251125709 1038957580 /nfs/dbraw/zinc/95/75/80/1038957580.db2.gz QVIHESRCMOTYFX-IAGOWNOFSA-N 1 3 367.493 2.992 20 0 FFADHO c1cc(N2CCOCC2)cc(-c2ccc(COC3CC[NH2+]CC3)cc2)n1 ZINC001245406784 1038993232 /nfs/dbraw/zinc/99/32/32/1038993232.db2.gz KQEYBRSVLRXWCG-UHFFFAOYSA-N 1 3 353.466 2.854 20 0 FFADHO CCN(C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001251372860 1039095706 /nfs/dbraw/zinc/09/57/06/1039095706.db2.gz ZNBQYNWHVMCLGQ-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NCC[N@H+]1CC[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001251372860 1039095727 /nfs/dbraw/zinc/09/57/27/1039095727.db2.gz ZNBQYNWHVMCLGQ-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)C[NH+]1CCC(N2CCC3(CCCN3Cc3ccn(C)n3)CC2)CC1 ZINC001258014558 1039112380 /nfs/dbraw/zinc/11/23/80/1039112380.db2.gz JERWJKMMDPFFKC-UHFFFAOYSA-N 1 3 373.589 2.971 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnccc3N)C[C@H]21 ZINC001209729869 1039166012 /nfs/dbraw/zinc/16/60/12/1039166012.db2.gz DAMAFOPQYHLVJT-LDQXTDLNSA-N 1 3 351.498 2.622 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cnccc3N)C[C@H]21 ZINC001209729869 1039166015 /nfs/dbraw/zinc/16/60/15/1039166015.db2.gz DAMAFOPQYHLVJT-LDQXTDLNSA-N 1 3 351.498 2.622 20 0 FFADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@H](O)COCc1c(Cl)cccc1Cl ZINC001246023128 1039196951 /nfs/dbraw/zinc/19/69/51/1039196951.db2.gz OEWOLSRLQWLVLL-MCIONIFRSA-N 1 3 361.313 2.930 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001246035248 1039208053 /nfs/dbraw/zinc/20/80/53/1039208053.db2.gz OJDMMKCTKCCMKJ-VQIMIIECSA-N 1 3 362.514 2.563 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001246047676 1039216284 /nfs/dbraw/zinc/21/62/84/1039216284.db2.gz WGNGRUMBTITOOB-UIAACRFSSA-N 1 3 364.411 2.824 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001246047676 1039216296 /nfs/dbraw/zinc/21/62/96/1039216296.db2.gz WGNGRUMBTITOOB-UIAACRFSSA-N 1 3 364.411 2.824 20 0 FFADHO COc1cccc([C@H]2CCC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC001246049848 1039220289 /nfs/dbraw/zinc/22/02/89/1039220289.db2.gz BYZIAELWYNVBSJ-ILWGZMRPSA-N 1 3 354.494 2.806 20 0 FFADHO COc1cccc([C@H]2CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC001246049848 1039220305 /nfs/dbraw/zinc/22/03/05/1039220305.db2.gz BYZIAELWYNVBSJ-ILWGZMRPSA-N 1 3 354.494 2.806 20 0 FFADHO Fc1cc2c(c(F)c1F)C[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246140310 1039255294 /nfs/dbraw/zinc/25/52/94/1039255294.db2.gz APXVWRLWFQAVHO-NRXGSXMXSA-N 1 3 354.416 2.710 20 0 FFADHO Fc1cc2c(c(F)c1F)C[C@H](NC[C@@]13CCCO[C@@H]1CC[NH2+]C3)CC2 ZINC001246140310 1039255306 /nfs/dbraw/zinc/25/53/06/1039255306.db2.gz APXVWRLWFQAVHO-NRXGSXMXSA-N 1 3 354.416 2.710 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CN1 ZINC001246170062 1039264703 /nfs/dbraw/zinc/26/47/03/1039264703.db2.gz LDDRZVZUAOWCOE-AQNXPRMDSA-N 1 3 373.541 2.560 20 0 FFADHO c1ccc(C[C@H]2C[C@@H]([NH2+]CCOc3ccc4c(c3)OCO4)CCN2)cc1 ZINC001246264219 1039290825 /nfs/dbraw/zinc/29/08/25/1039290825.db2.gz FCUWBSBIEXIXLA-ROUUACIJSA-N 1 3 354.450 2.747 20 0 FFADHO CCOC(=O)C1=C(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCNC1 ZINC001246285800 1039297126 /nfs/dbraw/zinc/29/71/26/1039297126.db2.gz VZZLHSBIUPZZFC-REPLKXPHSA-N 1 3 369.509 2.582 20 0 FFADHO CCOC(=O)C1=C(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCNC1 ZINC001246285800 1039297139 /nfs/dbraw/zinc/29/71/39/1039297139.db2.gz VZZLHSBIUPZZFC-REPLKXPHSA-N 1 3 369.509 2.582 20 0 FFADHO OC[C@]1([NH2+]C2CCC(c3ccc(Br)cc3)CC2)CCNC1 ZINC001246287714 1039297775 /nfs/dbraw/zinc/29/77/75/1039297775.db2.gz LEHKKKFRRXQBKJ-PREGVCBESA-N 1 3 353.304 2.789 20 0 FFADHO C[C@@H]1CC[C@H](NC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246294727 1039302538 /nfs/dbraw/zinc/30/25/38/1039302538.db2.gz MJMPQEZHGWZXIF-WTIAFYNJSA-N 1 3 367.537 2.780 20 0 FFADHO COc1cccc(CC2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246373785 1039328306 /nfs/dbraw/zinc/32/83/06/1039328306.db2.gz CINSIEQRLWHUFS-DOTOQJQBSA-N 1 3 371.447 2.632 20 0 FFADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](NCC[C@H](N)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246388280 1039332181 /nfs/dbraw/zinc/33/21/81/1039332181.db2.gz FYLFITIHTKFIQV-SZMVWBNQSA-N 1 3 365.493 2.576 20 0 FFADHO Fc1ccc(CC2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246393713 1039336131 /nfs/dbraw/zinc/33/61/31/1039336131.db2.gz XNLMCIOUBYSEKH-HOTGVXAUSA-N 1 3 359.411 2.763 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC001210041588 1039348633 /nfs/dbraw/zinc/34/86/33/1039348633.db2.gz WJMPNGFIFAYTRZ-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC001210041588 1039348643 /nfs/dbraw/zinc/34/86/43/1039348643.db2.gz WJMPNGFIFAYTRZ-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO Fc1cccc(CC2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246467815 1039363049 /nfs/dbraw/zinc/36/30/49/1039363049.db2.gz UUDGFNLUAVEDMU-HOTGVXAUSA-N 1 3 359.411 2.763 20 0 FFADHO C[C@H](Cc1ccccc1Br)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246631511 1039422076 /nfs/dbraw/zinc/42/20/76/1039422076.db2.gz QCPXRJRTZLFKRR-FRFSOERESA-N 1 3 353.304 2.690 20 0 FFADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C1CCC(F)(F)CC1)C2 ZINC001246656173 1039428192 /nfs/dbraw/zinc/42/81/92/1039428192.db2.gz CAKYFJTWXHTYOF-UONOGXRCSA-N 1 3 370.362 2.581 20 0 FFADHO Cc1ccc(CC[C@@H](C)N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246662355 1039430649 /nfs/dbraw/zinc/43/06/49/1039430649.db2.gz ZNAZFSVTCAKQGT-LJQANCHMSA-N 1 3 370.541 2.790 20 0 FFADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CN1 ZINC001246669453 1039434153 /nfs/dbraw/zinc/43/41/53/1039434153.db2.gz AFZHGTCZBRYJPS-WCZJQEMASA-N 1 3 354.473 2.938 20 0 FFADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CN1 ZINC001246669453 1039434157 /nfs/dbraw/zinc/43/41/57/1039434157.db2.gz AFZHGTCZBRYJPS-WCZJQEMASA-N 1 3 354.473 2.938 20 0 FFADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)N(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001258591191 1039443690 /nfs/dbraw/zinc/44/36/90/1039443690.db2.gz QGPOCOITPNWOBQ-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)N(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001258591191 1039443695 /nfs/dbraw/zinc/44/36/95/1039443695.db2.gz QGPOCOITPNWOBQ-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCN[C@H](C)C3)O2)cs1 ZINC001246734387 1039455972 /nfs/dbraw/zinc/45/59/72/1039455972.db2.gz XOLZJDCDLSRGNL-LQDZTQBFSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CCN[C@H](C)C3)O2)cs1 ZINC001246734387 1039455980 /nfs/dbraw/zinc/45/59/80/1039455980.db2.gz XOLZJDCDLSRGNL-LQDZTQBFSA-N 1 3 365.543 2.731 20 0 FFADHO CC(C)CN1c2ccccc2[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1=O ZINC001246778969 1039479102 /nfs/dbraw/zinc/47/91/02/1039479102.db2.gz QYRHEOTUZHZRMO-QOPFVKLFSA-N 1 3 353.510 2.916 20 0 FFADHO Brc1cccc([C@@H]2CN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2)c1 ZINC001246808674 1039489486 /nfs/dbraw/zinc/48/94/86/1039489486.db2.gz YCAISQHSZGFKHW-HZMVEIRTSA-N 1 3 350.304 2.678 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1Cl ZINC001278668460 1039554346 /nfs/dbraw/zinc/55/43/46/1039554346.db2.gz GEJBKHUMHDISCR-FUHWJXTLSA-N 1 3 351.922 2.806 20 0 FFADHO CC(C)OC[C@@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001252675473 1039643412 /nfs/dbraw/zinc/64/34/12/1039643412.db2.gz HTXZFECYGJTJHF-FQEVSTJZSA-N 1 3 361.530 2.544 20 0 FFADHO CC(C)OC[C@H](O)CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001252695380 1039650859 /nfs/dbraw/zinc/65/08/59/1039650859.db2.gz DRDQFFUVNNVFIH-LJQANCHMSA-N 1 3 359.514 2.550 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001253182700 1040027812 /nfs/dbraw/zinc/02/78/12/1040027812.db2.gz SNIAKUZZNOBWSS-PXNSSMCTSA-N 1 3 369.550 2.555 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001253182700 1040027826 /nfs/dbraw/zinc/02/78/26/1040027826.db2.gz SNIAKUZZNOBWSS-PXNSSMCTSA-N 1 3 369.550 2.555 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2ccc(Br)cc12 ZINC001253206032 1040045068 /nfs/dbraw/zinc/04/50/68/1040045068.db2.gz JJGQYDMOWRTBTC-HNNXBMFYSA-N 1 3 368.319 2.765 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2cc(OC(F)(F)F)ccc12 ZINC001253207993 1040046063 /nfs/dbraw/zinc/04/60/63/1040046063.db2.gz MNFDFGIARVIDAC-CQSZACIVSA-N 1 3 373.419 2.901 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+]Cc1c[nH]c2ccc(Br)cc12 ZINC001253209672 1040047105 /nfs/dbraw/zinc/04/71/05/1040047105.db2.gz CZIZRIZTWMJSNO-AWEZNQCLSA-N 1 3 354.292 2.723 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CN[C@H]1CCc2ccc(Br)cc2C1 ZINC001253214304 1040049978 /nfs/dbraw/zinc/04/99/78/1040049978.db2.gz ZIIKYRLEWUZNAM-IRXDYDNUSA-N 1 3 355.320 2.599 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC001211270348 1040050372 /nfs/dbraw/zinc/05/03/72/1040050372.db2.gz WZJCDPMWUKCOQC-UXHICEINSA-N 1 3 358.530 2.607 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC001211270348 1040050393 /nfs/dbraw/zinc/05/03/93/1040050393.db2.gz WZJCDPMWUKCOQC-UXHICEINSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)N1CCc2ccccc2C1 ZINC001211267756 1040053012 /nfs/dbraw/zinc/05/30/12/1040053012.db2.gz FSSFRSLCYIPFRN-HKBOAZHASA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)N1CCc2ccccc2C1 ZINC001211267756 1040053032 /nfs/dbraw/zinc/05/30/32/1040053032.db2.gz FSSFRSLCYIPFRN-HKBOAZHASA-N 1 3 370.541 2.701 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC001253376778 1040140707 /nfs/dbraw/zinc/14/07/07/1040140707.db2.gz LLFWPHAIUVOINN-HXUWFJFHSA-N 1 3 361.436 2.895 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC001253409221 1040159216 /nfs/dbraw/zinc/15/92/16/1040159216.db2.gz RJZKLDQEGLIBDO-KRWDZBQOSA-N 1 3 371.928 2.782 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]CCCN1CCCCC1 ZINC001254019912 1040522026 /nfs/dbraw/zinc/52/20/26/1040522026.db2.gz RZPOIBKIKIUTCD-GOSISDBHSA-N 1 3 350.503 2.679 20 0 FFADHO CC(C)[C@@H]1c2[nH]cnc2CCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254041382 1040543209 /nfs/dbraw/zinc/54/32/09/1040543209.db2.gz JMZSQCJCTKUFAZ-OAQYLSRUSA-N 1 3 368.525 2.992 20 0 FFADHO COc1cccc(OCC[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254048846 1040550051 /nfs/dbraw/zinc/55/00/51/1040550051.db2.gz ZTUIZMDVDALVCG-UHFFFAOYSA-N 1 3 370.493 2.691 20 0 FFADHO C[N@@H+]1CCC[C@H](N[C@@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254505959 1040757132 /nfs/dbraw/zinc/75/71/32/1040757132.db2.gz MJJAUHQGUXLGEF-ZWOKBUDYSA-N 1 3 367.534 2.619 20 0 FFADHO C[N@H+]1CCC[C@H](N[C@@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254505959 1040757148 /nfs/dbraw/zinc/75/71/48/1040757148.db2.gz MJJAUHQGUXLGEF-ZWOKBUDYSA-N 1 3 367.534 2.619 20 0 FFADHO CN1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC001254510435 1040759963 /nfs/dbraw/zinc/75/99/63/1040759963.db2.gz WGERJAKALLJZEW-APWZRJJASA-N 1 3 351.922 2.787 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001254521372 1040777075 /nfs/dbraw/zinc/77/70/75/1040777075.db2.gz JXSITNJKDRMTHQ-IRFCIJBXSA-N 1 3 359.514 2.816 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001254521372 1040777084 /nfs/dbraw/zinc/77/70/84/1040777084.db2.gz JXSITNJKDRMTHQ-IRFCIJBXSA-N 1 3 359.514 2.816 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254814660 1040977094 /nfs/dbraw/zinc/97/70/94/1040977094.db2.gz ZADAWZRXSCRZOV-GVDBMIGSSA-N 1 3 367.534 2.617 20 0 FFADHO CCCN1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@@H]2C1 ZINC001254913336 1041042355 /nfs/dbraw/zinc/04/23/55/1041042355.db2.gz OUQMFHRCHPLEEC-DQCOHUIHSA-N 1 3 363.546 2.906 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@@H]2C1 ZINC001254913336 1041042369 /nfs/dbraw/zinc/04/23/69/1041042369.db2.gz OUQMFHRCHPLEEC-DQCOHUIHSA-N 1 3 363.546 2.906 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001213931876 1041082438 /nfs/dbraw/zinc/08/24/38/1041082438.db2.gz PUAYGFITSAIDDB-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001213931876 1041082455 /nfs/dbraw/zinc/08/24/55/1041082455.db2.gz PUAYGFITSAIDDB-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO C(OC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCSC1)C2)C1CC1 ZINC001255283482 1041251851 /nfs/dbraw/zinc/25/18/51/1041251851.db2.gz FDUAEDSTWXUJRX-VAMGGRTRSA-N 1 3 350.572 2.952 20 0 FFADHO C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H]1CCSC1)C2)C1CC1 ZINC001255283482 1041251866 /nfs/dbraw/zinc/25/18/66/1041251866.db2.gz FDUAEDSTWXUJRX-VAMGGRTRSA-N 1 3 350.572 2.952 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCCC1CCOCC1 ZINC001214861495 1041598700 /nfs/dbraw/zinc/59/87/00/1041598700.db2.gz UNFAGXKHJFTROY-YLJYHZDGSA-N 1 3 365.562 2.504 20 0 FFADHO c1ccc(CN2C[C@H]3CC[C@@H](C2)C3[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC001262204829 1041599889 /nfs/dbraw/zinc/59/98/89/1041599889.db2.gz COZGWFAODPAMDN-IHASJPSXSA-N 1 3 369.553 2.740 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001214904857 1041614769 /nfs/dbraw/zinc/61/47/69/1041614769.db2.gz MNVREVGBOOSOIA-NXHRZFHOSA-N 1 3 351.560 2.703 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC001262355561 1041653791 /nfs/dbraw/zinc/65/37/91/1041653791.db2.gz ZEDOQZZMVXKHRH-MXEMCNAFSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1cccc(Cl)c1F ZINC001215461106 1041791224 /nfs/dbraw/zinc/79/12/24/1041791224.db2.gz SCVKTZYXTSIJAF-XJKCOSOUSA-N 1 3 355.885 2.928 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2OC2CC2)C1 ZINC001216226344 1041982471 /nfs/dbraw/zinc/98/24/71/1041982471.db2.gz TXUABESVCRUTNJ-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2OC2CC2)C1 ZINC001216226344 1041982474 /nfs/dbraw/zinc/98/24/74/1041982474.db2.gz TXUABESVCRUTNJ-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001216510918 1042044726 /nfs/dbraw/zinc/04/47/26/1042044726.db2.gz DKLQKVSXWYGKNW-UIAACRFSSA-N 1 3 361.505 2.981 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001263767922 1042473455 /nfs/dbraw/zinc/47/34/55/1042473455.db2.gz IXFBUJZZEQOWQN-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001263928423 1042539128 /nfs/dbraw/zinc/53/91/28/1042539128.db2.gz ZUULDNFMQMGHQZ-HBMCJLEFSA-N 1 3 359.558 2.998 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCC[C@H]2CCOC2)C1 ZINC001264552043 1042712057 /nfs/dbraw/zinc/71/20/57/1042712057.db2.gz HSBQZYVETGODRO-HBFSDRIKSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1ncccc1C ZINC001264627750 1042759490 /nfs/dbraw/zinc/75/94/90/1042759490.db2.gz YSEMBYWAYDKZRM-AZUAARDMSA-N 1 3 358.530 2.735 20 0 FFADHO C[NH+](C)CCN1CCO[C@]2(CCCN(Cc3ccc(C(F)F)cc3)C2)C1 ZINC001279140939 1042916163 /nfs/dbraw/zinc/91/61/63/1042916163.db2.gz LUPMYUTXBOUALE-HXUWFJFHSA-N 1 3 367.484 2.853 20 0 FFADHO COc1ccc(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c2ccccc12 ZINC001279177688 1042933956 /nfs/dbraw/zinc/93/39/56/1042933956.db2.gz RINKRYRSBBDWEB-UHFFFAOYSA-N 1 3 353.510 2.918 20 0 FFADHO COc1ccc(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c2ccccc12 ZINC001279177688 1042933958 /nfs/dbraw/zinc/93/39/58/1042933958.db2.gz RINKRYRSBBDWEB-UHFFFAOYSA-N 1 3 353.510 2.918 20 0 FFADHO CSc1ccc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1 ZINC001279188706 1042938808 /nfs/dbraw/zinc/93/88/08/1042938808.db2.gz TTZVTTGBHWZVTN-HDICACEKSA-N 1 3 361.555 2.641 20 0 FFADHO CSc1ccc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1 ZINC001279188706 1042938819 /nfs/dbraw/zinc/93/88/19/1042938819.db2.gz TTZVTTGBHWZVTN-HDICACEKSA-N 1 3 361.555 2.641 20 0 FFADHO CCOc1ccc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001279303510 1042991912 /nfs/dbraw/zinc/99/19/12/1042991912.db2.gz KRMZYUXELSOJQL-UHFFFAOYSA-N 1 3 360.546 2.720 20 0 FFADHO CCOc1ccc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001279303510 1042991914 /nfs/dbraw/zinc/99/19/14/1042991914.db2.gz KRMZYUXELSOJQL-UHFFFAOYSA-N 1 3 360.546 2.720 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccn4ccnc4c3)C2)C1 ZINC001279357195 1043024347 /nfs/dbraw/zinc/02/43/47/1043024347.db2.gz JMSVMVSFTDMGIG-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccn4ccnc4c3)C2)C1 ZINC001279357195 1043024351 /nfs/dbraw/zinc/02/43/51/1043024351.db2.gz JMSVMVSFTDMGIG-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO O=c1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(F)nc2)CC3)[nH]1 ZINC001279411490 1043074508 /nfs/dbraw/zinc/07/45/08/1043074508.db2.gz XOUVIGKXCDMJQF-UHFFFAOYSA-N 1 3 356.445 2.809 20 0 FFADHO O=c1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(F)nc2)CC3)[nH]1 ZINC001279411490 1043074522 /nfs/dbraw/zinc/07/45/22/1043074522.db2.gz XOUVIGKXCDMJQF-UHFFFAOYSA-N 1 3 356.445 2.809 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc(F)cn4)C[C@H]3CC2)[nH]1 ZINC001279418180 1043089205 /nfs/dbraw/zinc/08/92/05/1043089205.db2.gz ZDGIRRKZFNTORA-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccc(F)cn4)C[C@H]3CC2)[nH]1 ZINC001279418180 1043089220 /nfs/dbraw/zinc/08/92/20/1043089220.db2.gz ZDGIRRKZFNTORA-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3cc4ncccc4[nH]3)(C1)CCC2 ZINC001279458913 1043137986 /nfs/dbraw/zinc/13/79/86/1043137986.db2.gz NHJHXAQNRDFLEZ-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2c[nH]c3c2cccc3Cl)CCC12C[NH2+]C2 ZINC001237432069 1043158351 /nfs/dbraw/zinc/15/83/51/1043158351.db2.gz VUNPFPFDIFAOTO-HNNXBMFYSA-N 1 3 361.873 2.796 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1(C)CC[NH+](C)CC1 ZINC001279477699 1043162249 /nfs/dbraw/zinc/16/22/49/1043162249.db2.gz ZZMZDHYMFOOPDZ-ZCNNSNEGSA-N 1 3 357.542 2.916 20 0 FFADHO Cc1ccc([C@H](C)CCN2CCC[C@]3(C2)CN(CC[NH+](C)C)CCO3)o1 ZINC001279490172 1043175736 /nfs/dbraw/zinc/17/57/36/1043175736.db2.gz PQGSRCRGSSYVIQ-NQIIRXRSSA-N 1 3 363.546 2.810 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cc4cccnc4s3)C[C@H]2CC1 ZINC001279492140 1043177716 /nfs/dbraw/zinc/17/77/16/1043177716.db2.gz GOLHDWGPYJOWHQ-CALCHBBNSA-N 1 3 372.538 2.528 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cc4cccnc4s3)C[C@H]2CC1 ZINC001279492140 1043177720 /nfs/dbraw/zinc/17/77/20/1043177720.db2.gz GOLHDWGPYJOWHQ-CALCHBBNSA-N 1 3 372.538 2.528 20 0 FFADHO c1cn2c(cccc2CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)n1 ZINC001279494449 1043181175 /nfs/dbraw/zinc/18/11/75/1043181175.db2.gz JHEHNIRKGUILIV-UXHICEINSA-N 1 3 350.470 2.782 20 0 FFADHO CN(C)c1ncc(C[NH+]2CCC3(CN(CCCC(F)(F)F)C3)CC2)cn1 ZINC001279549234 1043244379 /nfs/dbraw/zinc/24/43/79/1043244379.db2.gz XEDNCVVMPNUWRF-UHFFFAOYSA-N 1 3 371.451 2.783 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1ccc(N)nc1)CC2 ZINC001279592664 1043307050 /nfs/dbraw/zinc/30/70/50/1043307050.db2.gz SEHQQAJBXUKXQZ-UHFFFAOYSA-N 1 3 357.527 2.917 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1ccc(N)nc1)CC2 ZINC001279592664 1043307054 /nfs/dbraw/zinc/30/70/54/1043307054.db2.gz SEHQQAJBXUKXQZ-UHFFFAOYSA-N 1 3 357.527 2.917 20 0 FFADHO C[NH+](C)CCN1CCO[C@@]2(CCCN(CCc3cccc(Cl)c3)C2)C1 ZINC001279610900 1043336480 /nfs/dbraw/zinc/33/64/80/1043336480.db2.gz NLPFHWWOGNJOIJ-HXUWFJFHSA-N 1 3 365.949 2.611 20 0 FFADHO COc1cccc(CC[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001279615074 1043343226 /nfs/dbraw/zinc/34/32/26/1043343226.db2.gz HACVBQNQVRSWQY-UHFFFAOYSA-N 1 3 354.498 2.949 20 0 FFADHO C[C@@H](CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12)C(F)(F)F ZINC001278153312 1043393840 /nfs/dbraw/zinc/39/38/40/1043393840.db2.gz XYGYYBNRUPTPAY-NUEKZKHPSA-N 1 3 373.463 2.640 20 0 FFADHO C[C@@H](CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12)C(F)(F)F ZINC001278153312 1043393847 /nfs/dbraw/zinc/39/38/47/1043393847.db2.gz XYGYYBNRUPTPAY-NUEKZKHPSA-N 1 3 373.463 2.640 20 0 FFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3ccc(Cl)nc3)C2)C1 ZINC001279650183 1043402050 /nfs/dbraw/zinc/40/20/50/1043402050.db2.gz ORQAVZNYPRDJKX-LJQANCHMSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(-n4cccn4)c(Cl)c3)[C@@H]2C1 ZINC001279676995 1043451038 /nfs/dbraw/zinc/45/10/38/1043451038.db2.gz VLTSHHMLGSOAOB-FXAWDEMLSA-N 1 3 373.932 2.593 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc(-n4cccn4)c(Cl)c3)[C@@H]2C1 ZINC001279676995 1043451045 /nfs/dbraw/zinc/45/10/45/1043451045.db2.gz VLTSHHMLGSOAOB-FXAWDEMLSA-N 1 3 373.932 2.593 20 0 FFADHO CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NCc3cc(C(C)(C)C)c[nH]3)(C1)CCC2 ZINC001279718805 1043522308 /nfs/dbraw/zinc/52/23/08/1043522308.db2.gz LTRAGECOXNRHPP-RTWAWAEBSA-N 1 3 360.546 2.925 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(CN(CCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001278237867 1043730762 /nfs/dbraw/zinc/73/07/62/1043730762.db2.gz MZCOYKFBERVNDL-UHFFFAOYSA-N 1 3 355.448 2.817 20 0 FFADHO CN(C)CC[N@H+]1CCC2(CN(CCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001278237867 1043730782 /nfs/dbraw/zinc/73/07/82/1043730782.db2.gz MZCOYKFBERVNDL-UHFFFAOYSA-N 1 3 355.448 2.817 20 0 FFADHO Cc1cnc(-c2ccccc2)c(CN2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001238623235 1043793999 /nfs/dbraw/zinc/79/39/99/1043793999.db2.gz CBARMKSWNJGGIR-UHFFFAOYSA-N 1 3 366.509 2.653 20 0 FFADHO CCC1(C[NH+]2CCC(N3CCC(C(=O)NC(C)(C)C)CC3)CC2)COC1 ZINC001279905297 1043899126 /nfs/dbraw/zinc/89/91/26/1043899126.db2.gz QPWLUEBILVPMMG-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO O=C(NCc1ccc(Cl)cc1Cl)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217539 1044073612 /nfs/dbraw/zinc/07/36/12/1044073612.db2.gz SNSNVNLGNWBMFR-CQSZACIVSA-N 1 3 371.312 2.667 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(Cc1c(C)cccc1C)C2 ZINC001280014737 1044087847 /nfs/dbraw/zinc/08/78/47/1044087847.db2.gz SSIXQOLPAJSEAB-FQEVSTJZSA-N 1 3 357.542 2.926 20 0 FFADHO CN(C)CCN(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001239307469 1044097637 /nfs/dbraw/zinc/09/76/37/1044097637.db2.gz CXRKLZWPVNVILW-OAHLLOKOSA-N 1 3 358.408 2.853 20 0 FFADHO Cc1cccc(Cl)c1NC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239362752 1044104610 /nfs/dbraw/zinc/10/46/10/1044104610.db2.gz KABHTAXTIMWAQM-ZDUSSCGKSA-N 1 3 352.935 2.809 20 0 FFADHO CC/C=C\CC[NH+]1CCC(N2CCC(C(=O)Nc3cn[nH]c3)CC2)CC1 ZINC001280034154 1044111778 /nfs/dbraw/zinc/11/17/78/1044111778.db2.gz YBUCONVXUBFODC-ARJAWSKDSA-N 1 3 359.518 2.881 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001312457431 1044118451 /nfs/dbraw/zinc/11/84/51/1044118451.db2.gz UJLWXCJNPMUZIP-BJLQDIEVSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001312457431 1044118454 /nfs/dbraw/zinc/11/84/54/1044118454.db2.gz UJLWXCJNPMUZIP-BJLQDIEVSA-N 1 3 360.546 2.927 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cccc(-c3cccs3)n1)C2 ZINC001280079610 1044180089 /nfs/dbraw/zinc/18/00/89/1044180089.db2.gz FOVSNFCQMDTIGH-AEFFLSMTSA-N 1 3 356.539 2.878 20 0 FFADHO CCc1ccccc1CN1CC2(C[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001280097807 1044200912 /nfs/dbraw/zinc/20/09/12/1044200912.db2.gz ZFPLUGLIVYZBJM-HXUWFJFHSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC001313007417 1044208618 /nfs/dbraw/zinc/20/86/18/1044208618.db2.gz FANMWJHYSMHUHT-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1nc(-c2ccc(CN3CCN(C)CC3)cc2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001240396226 1044328440 /nfs/dbraw/zinc/32/84/40/1044328440.db2.gz PJWQGYPOEABENX-HXUWFJFHSA-N 1 3 365.525 2.666 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001313426619 1044354932 /nfs/dbraw/zinc/35/49/32/1044354932.db2.gz ZGQFTRNNQDUHAR-PWRODBHTSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001313426619 1044354946 /nfs/dbraw/zinc/35/49/46/1044354946.db2.gz ZGQFTRNNQDUHAR-PWRODBHTSA-N 1 3 372.557 2.533 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c(CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001313451252 1044366978 /nfs/dbraw/zinc/36/69/78/1044366978.db2.gz UFGIUIZAXNWFLC-KSZLIROESA-N 1 3 362.566 2.634 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c(CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001313451252 1044366990 /nfs/dbraw/zinc/36/69/90/1044366990.db2.gz UFGIUIZAXNWFLC-KSZLIROESA-N 1 3 362.566 2.634 20 0 FFADHO CN(C)CCC[N@@H+]1CCC[C@@]2(CCN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001280221225 1044415032 /nfs/dbraw/zinc/41/50/32/1044415032.db2.gz POJZRVQMIFPLPQ-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CCC[N@H+]1CCC[C@@]2(CCN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001280221225 1044415035 /nfs/dbraw/zinc/41/50/35/1044415035.db2.gz POJZRVQMIFPLPQ-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO C[NH+](C)CCCN1CCC[C@@]2(CCN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001280221225 1044415037 /nfs/dbraw/zinc/41/50/37/1044415037.db2.gz POJZRVQMIFPLPQ-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@@H]3C(=O)N3CCCCO3)CC2)CCCC1 ZINC001280234935 1044439645 /nfs/dbraw/zinc/43/96/45/1044439645.db2.gz GGSQSDOHRVDOEB-GOSISDBHSA-N 1 3 363.546 2.765 20 0 FFADHO Cc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278322547 1044468500 /nfs/dbraw/zinc/46/85/00/1044468500.db2.gz SSIQSKXKAOLTNE-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278322547 1044468505 /nfs/dbraw/zinc/46/85/05/1044468505.db2.gz SSIQSKXKAOLTNE-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO CCCCCN1CCc2nc(C(=O)N3CCC([NH+](C)C)CC3)ccc2C1 ZINC001280280823 1044536684 /nfs/dbraw/zinc/53/66/84/1044536684.db2.gz CXWOMBVOAHFZQX-UHFFFAOYSA-N 1 3 358.530 2.796 20 0 FFADHO CN1CCN(c2cccc(-c3ccc(OCC[NH+]4CCCC4)nc3)c2)CC1 ZINC001243671314 1044991428 /nfs/dbraw/zinc/99/14/28/1044991428.db2.gz XBRLXQPXXHHSHM-UHFFFAOYSA-N 1 3 366.509 2.975 20 0 FFADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC001319282563 1045096928 /nfs/dbraw/zinc/09/69/28/1045096928.db2.gz MZMKRBWURJQVQK-CVEARBPZSA-N 1 3 353.532 2.831 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC001319282563 1045096940 /nfs/dbraw/zinc/09/69/40/1045096940.db2.gz MZMKRBWURJQVQK-CVEARBPZSA-N 1 3 353.532 2.831 20 0 FFADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC001319282563 1045096954 /nfs/dbraw/zinc/09/69/54/1045096954.db2.gz MZMKRBWURJQVQK-CVEARBPZSA-N 1 3 353.532 2.831 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C12CCC2 ZINC001319951968 1045310941 /nfs/dbraw/zinc/31/09/41/1045310941.db2.gz VAERPMDBHBUVBK-SFTDATJTSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001318502003 1045315397 /nfs/dbraw/zinc/31/53/97/1045315397.db2.gz FIJRYAMGXJGEON-BTHPGYMESA-N 1 3 358.530 2.994 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001321744989 1045784026 /nfs/dbraw/zinc/78/40/26/1045784026.db2.gz WPGFGLYCHIBGGH-MOPGFXCFSA-N 1 3 364.509 2.772 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC001326688815 1047036302 /nfs/dbraw/zinc/03/63/02/1047036302.db2.gz YFMYYJLNUUUABO-NHCUHLMSSA-N 1 3 372.557 2.531 20 0 FFADHO CC(C)CN1CCN(c2nnc(C(C)C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001287749747 1047355962 /nfs/dbraw/zinc/35/59/62/1047355962.db2.gz PLVULXUEZFRBMU-SFHVURJKSA-N 1 3 362.566 2.520 20 0 FFADHO CC[NH+](CC)C1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001328182443 1048214869 /nfs/dbraw/zinc/21/48/69/1048214869.db2.gz YTYPFLWOEMFFIG-INIZCTEOSA-N 1 3 352.910 2.766 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001295977845 1050007954 /nfs/dbraw/zinc/00/79/54/1050007954.db2.gz IWYPGGPBVIYTFV-SQNIBIBYSA-N 1 3 362.566 2.626 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2C[C@H](CC[NH3+])c3ccccc32)cc(Cl)n1 ZINC001341527836 1050158966 /nfs/dbraw/zinc/15/89/66/1050158966.db2.gz ZSHUELZLAIIJIB-BBRMVZONSA-N 1 3 358.873 2.913 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1=CCC[NH2+]CC1 ZINC001341785332 1050399288 /nfs/dbraw/zinc/39/92/88/1050399288.db2.gz AZPHZINPFUBYCK-UHFFFAOYSA-N 1 3 369.431 2.905 20 0 FFADHO O=C(c1ccc(CN2CCCC2)o1)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001301670314 1050951900 /nfs/dbraw/zinc/95/19/00/1050951900.db2.gz KFHRWHXKCKSOFK-GOSISDBHSA-N 1 3 371.456 2.671 20 0 FFADHO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001301670314 1050951909 /nfs/dbraw/zinc/95/19/09/1050951909.db2.gz KFHRWHXKCKSOFK-GOSISDBHSA-N 1 3 371.456 2.671 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2CCC(C)([NH+](C)C)CC2)cc(Cl)n1 ZINC001342498733 1051101084 /nfs/dbraw/zinc/10/10/84/1051101084.db2.gz GIRUFUFHDZYFBM-SWKXRBFHSA-N 1 3 352.910 2.812 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1cc2n(n1)CCC[C@H]2[NH3+])c1ccsc1 ZINC001340808920 1051154141 /nfs/dbraw/zinc/15/41/41/1051154141.db2.gz PYBZNPMKQGXCCW-PBHICJAKSA-N 1 3 361.515 2.551 20 0 FFADHO CC(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342806662 1051415918 /nfs/dbraw/zinc/41/59/18/1051415918.db2.gz LKJHCEJDVRAADN-KRWDZBQOSA-N 1 3 362.566 2.710 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1C(F)(F)F ZINC001341074528 1051419165 /nfs/dbraw/zinc/41/91/65/1051419165.db2.gz NWSJUENABTXLFM-JKSUJKDBSA-N 1 3 355.404 2.634 20 0 FFADHO CCCN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC001342913346 1051523281 /nfs/dbraw/zinc/52/32/81/1051523281.db2.gz AZSIRZXDUMLGDJ-UYAOXDASSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)([NH3+])c1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC001343144768 1051766831 /nfs/dbraw/zinc/76/68/31/1051766831.db2.gz YZKFDXSFSQJHGY-KGLIPLIRSA-N 1 3 360.376 2.803 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001341464883 1051819609 /nfs/dbraw/zinc/81/96/09/1051819609.db2.gz IBWGURBVPSFAIN-LVCYWYKZSA-N 1 3 357.498 2.656 20 0 FFADHO CC[C@@H](Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305829988 1051956473 /nfs/dbraw/zinc/95/64/73/1051956473.db2.gz UZHUAJIMBZGUSC-SFHVURJKSA-N 1 3 374.577 2.950 20 0 FFADHO C[C@H]1[C@@H](OC(=O)COC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC001344854868 1052068734 /nfs/dbraw/zinc/06/87/34/1052068734.db2.gz GDLRHUKXEFWZQU-PXNSSMCTSA-N 1 3 360.498 2.694 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001343372838 1052190559 /nfs/dbraw/zinc/19/05/59/1052190559.db2.gz ZTXISSJAQKROKX-UHFFFAOYSA-N 1 3 355.526 2.809 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)[C@H](C)C1 ZINC001345100839 1052258003 /nfs/dbraw/zinc/25/80/03/1052258003.db2.gz ZXUFQTOQUXSIJN-NZSAHSFTSA-N 1 3 374.577 2.664 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)[C@H](C)C1 ZINC001345100839 1052258008 /nfs/dbraw/zinc/25/80/08/1052258008.db2.gz ZXUFQTOQUXSIJN-NZSAHSFTSA-N 1 3 374.577 2.664 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC001308330207 1052446831 /nfs/dbraw/zinc/44/68/31/1052446831.db2.gz JLCJDRNCFGXRHF-IRXDYDNUSA-N 1 3 366.889 2.579 20 0 FFADHO COCC[C@@H](CNCC[C@@H](C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC001308367339 1052451752 /nfs/dbraw/zinc/45/17/52/1052451752.db2.gz SKUYBFFMUKSYEL-SJORKVTESA-N 1 3 357.539 2.770 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001308554353 1052469031 /nfs/dbraw/zinc/46/90/31/1052469031.db2.gz OSIBFEMLAMWFHB-CWRNSKLLSA-N 1 3 358.438 2.658 20 0 FFADHO COc1ccc([C@@H](NC(=O)CN2CCCC3(CC[NH2+]CC3)C2)C(C)C)cc1 ZINC001346017737 1052708504 /nfs/dbraw/zinc/70/85/04/1052708504.db2.gz PAJGJBZXMSJOLF-NRFANRHFSA-N 1 3 373.541 2.974 20 0 FFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001346192115 1052784137 /nfs/dbraw/zinc/78/41/37/1052784137.db2.gz RGWZOFFOEUFGIG-HOTGVXAUSA-N 1 3 365.493 2.942 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@@H](C)O1 ZINC001335350846 1053310551 /nfs/dbraw/zinc/31/05/51/1053310551.db2.gz KIFDVNFWESFVBD-HBUWYVDXSA-N 1 3 358.885 2.992 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C2 ZINC001335447691 1053368603 /nfs/dbraw/zinc/36/86/03/1053368603.db2.gz IKURHAGUNJHLDK-RNQOJCNYSA-N 1 3 356.514 2.735 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001349517275 1055310868 /nfs/dbraw/zinc/31/08/68/1055310868.db2.gz HRDPXCKIGLFVHG-HLAWJBBLSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001349517275 1055310887 /nfs/dbraw/zinc/31/08/87/1055310887.db2.gz HRDPXCKIGLFVHG-HLAWJBBLSA-N 1 3 370.541 2.633 20 0 FFADHO [NH2+]=C(NCCOc1ccccc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000849053408 1055602794 /nfs/dbraw/zinc/60/27/94/1055602794.db2.gz GOBVMDYDYYRVTA-UHFFFAOYSA-N 1 3 370.472 2.983 20 0 FFADHO [NH2+]=C(NCCc1ccccc1O)NC1CCN(Cc2ccccc2)CC1 ZINC000849071260 1055628244 /nfs/dbraw/zinc/62/82/44/1055628244.db2.gz ZWGXESWUOJWEOK-UHFFFAOYSA-N 1 3 352.482 2.713 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)C1(C2CC[NH2+]CC2)CC1 ZINC001357405583 1055894859 /nfs/dbraw/zinc/89/48/59/1055894859.db2.gz UBODJDNDJZIJIJ-UHFFFAOYSA-N 1 3 365.587 2.634 20 0 FFADHO S=C(NCCN1CCCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001200425134 1056660215 /nfs/dbraw/zinc/66/02/15/1056660215.db2.gz FFTIXUCKEBPMBG-VQTJNVASSA-N 1 3 372.582 2.553 20 0 FFADHO S=C(NCCN1CCCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001200425134 1056660221 /nfs/dbraw/zinc/66/02/21/1056660221.db2.gz FFTIXUCKEBPMBG-VQTJNVASSA-N 1 3 372.582 2.553 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001513049419 1058175825 /nfs/dbraw/zinc/17/58/25/1058175825.db2.gz SJTSTWLMYPHADA-IEBWSBKVSA-N 1 3 374.577 2.665 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001513049419 1058175829 /nfs/dbraw/zinc/17/58/29/1058175829.db2.gz SJTSTWLMYPHADA-IEBWSBKVSA-N 1 3 374.577 2.665 20 0 FFADHO S=C(NCCN1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001200447179 1058216952 /nfs/dbraw/zinc/21/69/52/1058216952.db2.gz YWTNVXSPLWMGEB-UHFFFAOYSA-N 1 3 352.592 2.734 20 0 FFADHO CN(Cc1ccccc1)C1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC001449334996 1058893678 /nfs/dbraw/zinc/89/36/78/1058893678.db2.gz WVLFTPRBPKUHSU-UHFFFAOYSA-N 1 3 353.466 2.832 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(CC(C)(C)C)s1 ZINC001453213762 1059349892 /nfs/dbraw/zinc/34/98/92/1059349892.db2.gz WNCKQOMEIKMNSE-AWEZNQCLSA-N 1 3 354.564 2.734 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(CC(C)(C)C)s1 ZINC001453213762 1059349916 /nfs/dbraw/zinc/34/99/16/1059349916.db2.gz WNCKQOMEIKMNSE-AWEZNQCLSA-N 1 3 354.564 2.734 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001515827888 1059821206 /nfs/dbraw/zinc/82/12/06/1059821206.db2.gz OINXOOZYQQGERA-IAGOWNOFSA-N 1 3 374.577 2.634 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001515827888 1059821231 /nfs/dbraw/zinc/82/12/31/1059821231.db2.gz OINXOOZYQQGERA-IAGOWNOFSA-N 1 3 374.577 2.634 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCN1C1CCCC1 ZINC001455688485 1059868321 /nfs/dbraw/zinc/86/83/21/1059868321.db2.gz MHUGOUYFZMXAQP-WMQCIHAUSA-N 1 3 355.526 2.807 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCN1C1CCCC1 ZINC001455688485 1059868344 /nfs/dbraw/zinc/86/83/44/1059868344.db2.gz MHUGOUYFZMXAQP-WMQCIHAUSA-N 1 3 355.526 2.807 20 0 FFADHO CC[NH+](CC)[C@@H](C)Cn1c(C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001547423941 1071955439 /nfs/dbraw/zinc/95/54/39/1071955439.db2.gz VHFHMKNSSXBLPF-KRWDZBQOSA-N 1 3 364.582 2.875 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(c3nnc([C@@H]4CCCN(C)C4)n3C)C2)CC1 ZINC001355537811 1060337170 /nfs/dbraw/zinc/33/71/70/1060337170.db2.gz HFHJJYYBEQGOSR-RTBURBONSA-N 1 3 374.577 2.573 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001511886489 1060459336 /nfs/dbraw/zinc/45/93/36/1060459336.db2.gz NZKGOFOPILRXGY-KRWDZBQOSA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001547634449 1071979997 /nfs/dbraw/zinc/97/99/97/1071979997.db2.gz FZFPMGXBRYNJSW-ZWKOTPCHSA-N 1 3 362.566 2.806 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001547645030 1071980756 /nfs/dbraw/zinc/98/07/56/1071980756.db2.gz DZUXUILSFDMQHY-MSOLQXFVSA-N 1 3 364.582 2.736 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001547645030 1071980759 /nfs/dbraw/zinc/98/07/59/1071980759.db2.gz DZUXUILSFDMQHY-MSOLQXFVSA-N 1 3 364.582 2.736 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001547645032 1071981623 /nfs/dbraw/zinc/98/16/23/1071981623.db2.gz DZUXUILSFDMQHY-ROUUACIJSA-N 1 3 364.582 2.736 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001547645032 1071981634 /nfs/dbraw/zinc/98/16/34/1071981634.db2.gz DZUXUILSFDMQHY-ROUUACIJSA-N 1 3 364.582 2.736 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001547646580 1071983209 /nfs/dbraw/zinc/98/32/09/1071983209.db2.gz AUDXCMFCMCMFEP-IRXDYDNUSA-N 1 3 374.577 2.634 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)cc1 ZINC001528401023 1061892615 /nfs/dbraw/zinc/89/26/15/1061892615.db2.gz MODKYDMXJJHODR-LBKNJMOBSA-N 1 3 359.514 2.535 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)cc1 ZINC001528401023 1061892623 /nfs/dbraw/zinc/89/26/23/1061892623.db2.gz MODKYDMXJJHODR-LBKNJMOBSA-N 1 3 359.514 2.535 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC001479055749 1062207139 /nfs/dbraw/zinc/20/71/39/1062207139.db2.gz FSKQLJSKDNLLAR-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001479139852 1062246459 /nfs/dbraw/zinc/24/64/59/1062246459.db2.gz LLLHZELUVBFQLX-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001479171725 1062268816 /nfs/dbraw/zinc/26/88/16/1062268816.db2.gz IABIOTXYDMGCNY-MBOZVWFJSA-N 1 3 353.526 2.922 20 0 FFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001479171725 1062268833 /nfs/dbraw/zinc/26/88/33/1062268833.db2.gz IABIOTXYDMGCNY-MBOZVWFJSA-N 1 3 353.526 2.922 20 0 FFADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC001435630076 1062528806 /nfs/dbraw/zinc/52/88/06/1062528806.db2.gz XPXICLOBSMVKEY-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC001435630076 1062528823 /nfs/dbraw/zinc/52/88/23/1062528823.db2.gz XPXICLOBSMVKEY-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001479587110 1062590181 /nfs/dbraw/zinc/59/01/81/1062590181.db2.gz XVBBJCDRKWCESU-IKGGRYGDSA-N 1 3 359.505 2.979 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001465088979 1062973756 /nfs/dbraw/zinc/97/37/56/1062973756.db2.gz QLSPVXFZWPHQCU-MSOLQXFVSA-N 1 3 365.587 2.871 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001465088979 1062973766 /nfs/dbraw/zinc/97/37/66/1062973766.db2.gz QLSPVXFZWPHQCU-MSOLQXFVSA-N 1 3 365.587 2.871 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC001467306562 1063703678 /nfs/dbraw/zinc/70/36/78/1063703678.db2.gz YOMWQUKSVADFLK-GOSISDBHSA-N 1 3 358.530 2.889 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC001467306562 1063703691 /nfs/dbraw/zinc/70/36/91/1063703691.db2.gz YOMWQUKSVADFLK-GOSISDBHSA-N 1 3 358.530 2.889 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001468004996 1063905462 /nfs/dbraw/zinc/90/54/62/1063905462.db2.gz RQMLQXIPSRDZIK-TZIWHRDSSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001468004996 1063905467 /nfs/dbraw/zinc/90/54/67/1063905467.db2.gz RQMLQXIPSRDZIK-TZIWHRDSSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC001470676953 1064409397 /nfs/dbraw/zinc/40/93/97/1064409397.db2.gz KQDXVLGJYFMMBG-XUVGJJBRSA-N 1 3 352.567 2.772 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC001470676953 1064409402 /nfs/dbraw/zinc/40/94/02/1064409402.db2.gz KQDXVLGJYFMMBG-XUVGJJBRSA-N 1 3 352.567 2.772 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCN1C ZINC001471396604 1064663167 /nfs/dbraw/zinc/66/31/67/1064663167.db2.gz SMWIUEGMODCOJO-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1C ZINC001471396604 1064663178 /nfs/dbraw/zinc/66/31/78/1064663178.db2.gz SMWIUEGMODCOJO-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3CCCCN3C)C2)CC1 ZINC001471508870 1064702469 /nfs/dbraw/zinc/70/24/69/1064702469.db2.gz MEOHHHGGZRQSSB-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO COc1cc(C)c(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)n1 ZINC001474084262 1065453158 /nfs/dbraw/zinc/45/31/58/1065453158.db2.gz FEQATHMYNQQUSH-FQEVSTJZSA-N 1 3 369.509 2.954 20 0 FFADHO COc1cc(C)c(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)n1 ZINC001474084262 1065453167 /nfs/dbraw/zinc/45/31/67/1065453167.db2.gz FEQATHMYNQQUSH-FQEVSTJZSA-N 1 3 369.509 2.954 20 0 FFADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(CNC(=O)OC(C)(C)C)CC3)[C@H]2C1 ZINC001474303355 1065490066 /nfs/dbraw/zinc/49/00/66/1065490066.db2.gz YBHOSTRBHIJTHM-YVZBVZGPSA-N 1 3 351.535 3.000 20 0 FFADHO C[C@H]1CN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCN2CC=CCC2)CC(C)(C)C1 ZINC001576849997 1078281118 /nfs/dbraw/zinc/28/11/18/1078281118.db2.gz NXLWZOYOPIWZNB-KURKYZTESA-N 1 3 372.561 2.617 20 0 FFADHO CCCn1nc(C)c(CNCc2ccc(CN3CC[NH2+]CC3)cc2)c1C ZINC001577625046 1078382188 /nfs/dbraw/zinc/38/21/88/1078382188.db2.gz XOAOPIKBLJZZLQ-UHFFFAOYSA-N 1 3 355.530 2.605 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC001577760484 1078397412 /nfs/dbraw/zinc/39/74/12/1078397412.db2.gz VVAFLLXQARGOOZ-JENIJYKNSA-N 1 3 370.545 2.847 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001578418974 1078471868 /nfs/dbraw/zinc/47/18/68/1078471868.db2.gz SVVRLHCKJTUMEG-MRXNPFEDSA-N 1 3 352.548 2.600 20 0 FFADHO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001580251199 1078774905 /nfs/dbraw/zinc/77/49/05/1078774905.db2.gz BSKZQAWZEQJYBS-DYXWJJEUSA-N 1 3 356.514 2.564 20 0 FFADHO [NH3+]Cc1ccc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC001580339086 1078788927 /nfs/dbraw/zinc/78/89/27/1078788927.db2.gz DARDXKSXUDCTTR-IBGZPJMESA-N 1 3 359.420 2.704 20 0 FFADHO [NH3+]CCOCCN1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001580312806 1078785772 /nfs/dbraw/zinc/78/57/72/1078785772.db2.gz XNKZDRJRFWYVPU-UHFFFAOYSA-N 1 3 350.356 2.821 20 0 FFADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001550363014 1074230866 /nfs/dbraw/zinc/23/08/66/1074230866.db2.gz UWAKLUIXNYEENR-RTBURBONSA-N 1 3 370.497 2.616 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cn1 ZINC001550422191 1074259267 /nfs/dbraw/zinc/25/92/67/1074259267.db2.gz OWFZQFOFFYQIGY-ZDFPQIBNSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cn1 ZINC001550422191 1074259271 /nfs/dbraw/zinc/25/92/71/1074259271.db2.gz OWFZQFOFFYQIGY-ZDFPQIBNSA-N 1 3 368.525 2.750 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(OC)ccc3F)C2)[C@H]1C(C)C ZINC001550424153 1074264298 /nfs/dbraw/zinc/26/42/98/1074264298.db2.gz YPNUGCTZQIFEIV-HAGHYFMRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(OC)ccc3F)C2)[C@H]1C(C)C ZINC001550424153 1074264304 /nfs/dbraw/zinc/26/43/04/1074264304.db2.gz YPNUGCTZQIFEIV-HAGHYFMRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[C@H]1NCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001550473824 1074291489 /nfs/dbraw/zinc/29/14/89/1074291489.db2.gz ONDJMFQLFOVSGA-RTWAWAEBSA-N 1 3 358.530 2.730 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3cnc(Cl)n3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550521720 1074330430 /nfs/dbraw/zinc/33/04/30/1074330430.db2.gz SZZWIJUMRRUZJH-RZXDWDHASA-N 1 3 354.926 2.594 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3cnc(Cl)n3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550521720 1074330432 /nfs/dbraw/zinc/33/04/32/1074330432.db2.gz SZZWIJUMRRUZJH-RZXDWDHASA-N 1 3 354.926 2.594 20 0 FFADHO C[C@@H](c1cccc(OC(F)(F)F)c1)[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC001550701853 1074441486 /nfs/dbraw/zinc/44/14/86/1074441486.db2.gz GSFSQLAOBCJNTR-FZMZJTMJSA-N 1 3 355.364 2.643 20 0 FFADHO C[C@@H](c1cccc(OC(F)(F)F)c1)[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC001550701853 1074441490 /nfs/dbraw/zinc/44/14/90/1074441490.db2.gz GSFSQLAOBCJNTR-FZMZJTMJSA-N 1 3 355.364 2.643 20 0 FFADHO O=C1CC[C@H](NCc2cccc(Cl)c2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC001550913148 1074529605 /nfs/dbraw/zinc/52/96/05/1074529605.db2.gz KCSCLKLXHPVLEU-YOEHRIQHSA-N 1 3 356.297 2.730 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC001552348034 1075063180 /nfs/dbraw/zinc/06/31/80/1075063180.db2.gz ULVMBYUTDDXAAJ-CVEARBPZSA-N 1 3 364.559 2.731 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCC(CC)(N2CCC2)CC1 ZINC001560152179 1076236392 /nfs/dbraw/zinc/23/63/92/1076236392.db2.gz FNROYEKWSZXKOM-GHTZIAJQSA-N 1 3 366.546 2.811 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CCC(CC)([NH+]2CCC2)CC1 ZINC001560152179 1076236397 /nfs/dbraw/zinc/23/63/97/1076236397.db2.gz FNROYEKWSZXKOM-GHTZIAJQSA-N 1 3 366.546 2.811 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001560266170 1076258827 /nfs/dbraw/zinc/25/88/27/1076258827.db2.gz RSZJTMMFMORBJP-CQSZACIVSA-N 1 3 369.456 2.891 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001560266170 1076258831 /nfs/dbraw/zinc/25/88/31/1076258831.db2.gz RSZJTMMFMORBJP-CQSZACIVSA-N 1 3 369.456 2.891 20 0 FFADHO CCCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCN(C)C1 ZINC001565195493 1076695774 /nfs/dbraw/zinc/69/57/74/1076695774.db2.gz BHDSYSCHOHTYHC-CEWLAPEOSA-N 1 3 372.557 2.880 20 0 FFADHO CCCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCN(C)C1 ZINC001565195493 1076695776 /nfs/dbraw/zinc/69/57/76/1076695776.db2.gz BHDSYSCHOHTYHC-CEWLAPEOSA-N 1 3 372.557 2.880 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001565916745 1076800304 /nfs/dbraw/zinc/80/03/04/1076800304.db2.gz OBBRXLGHFSNERR-SOUVJXGZSA-N 1 3 354.445 2.571 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422906116 513971253 /nfs/dbraw/zinc/97/12/53/513971253.db2.gz JDYSLHHORVDWQB-CJNGLKHVSA-N 1 3 368.319 2.515 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422906116 513971258 /nfs/dbraw/zinc/97/12/58/513971258.db2.gz JDYSLHHORVDWQB-CJNGLKHVSA-N 1 3 368.319 2.515 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000267406954 251347913 /nfs/dbraw/zinc/34/79/13/251347913.db2.gz NZSCDSLZGNCFDR-NRSPTQNISA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000267406954 251347918 /nfs/dbraw/zinc/34/79/18/251347918.db2.gz NZSCDSLZGNCFDR-NRSPTQNISA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268783963 251382975 /nfs/dbraw/zinc/38/29/75/251382975.db2.gz RCAXWNICWPNUHR-SNRMKQJTSA-N 1 3 363.527 2.504 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1N1CCN(C)CC1 ZINC000375016293 512122245 /nfs/dbraw/zinc/12/22/45/512122245.db2.gz DVYJLRHXMQEUGD-SJLPKXTDSA-N 1 3 373.570 2.606 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1N1CCN(C)CC1 ZINC000375016293 512122247 /nfs/dbraw/zinc/12/22/47/512122247.db2.gz DVYJLRHXMQEUGD-SJLPKXTDSA-N 1 3 373.570 2.606 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000272317390 252007875 /nfs/dbraw/zinc/00/78/75/252007875.db2.gz HNHHLEBQYHSCJM-YTQUADARSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272443239 252039352 /nfs/dbraw/zinc/03/93/52/252039352.db2.gz FCCGQOWRBDPYTQ-SESVDKBCSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272443239 252039358 /nfs/dbraw/zinc/03/93/58/252039358.db2.gz FCCGQOWRBDPYTQ-SESVDKBCSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272774116 252127651 /nfs/dbraw/zinc/12/76/51/252127651.db2.gz QNKWQNWBILHTJH-BBTUJRGHSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272774116 252127654 /nfs/dbraw/zinc/12/76/54/252127654.db2.gz QNKWQNWBILHTJH-BBTUJRGHSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272949513 252172338 /nfs/dbraw/zinc/17/23/38/252172338.db2.gz MPFAUAKDMLMJCD-AZUAARDMSA-N 1 3 370.541 2.800 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272949513 252172344 /nfs/dbraw/zinc/17/23/44/252172344.db2.gz MPFAUAKDMLMJCD-AZUAARDMSA-N 1 3 370.541 2.800 20 0 FFADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000273301095 252277111 /nfs/dbraw/zinc/27/71/11/252277111.db2.gz RKASUYNIBIDLET-LKUPVBHCSA-N 1 3 374.525 2.872 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000273463477 252311347 /nfs/dbraw/zinc/31/13/47/252311347.db2.gz NKLUQKTXKXGGKE-GOSISDBHSA-N 1 3 372.557 2.807 20 0 FFADHO CS[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1N1CCCC1 ZINC000275300328 255983901 /nfs/dbraw/zinc/98/39/01/255983901.db2.gz QCQCSSLNVOFEQE-VQTJNVASSA-N 1 3 373.566 2.934 20 0 FFADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2n[nH]cc21 ZINC000275814668 256050812 /nfs/dbraw/zinc/05/08/12/256050812.db2.gz WCTJAYMHDRHDOC-UHFFFAOYSA-N 1 3 370.501 2.551 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000275705184 256040532 /nfs/dbraw/zinc/04/05/32/256040532.db2.gz TVBLOAAYVPHEHY-LJQANCHMSA-N 1 3 358.530 2.986 20 0 FFADHO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000277202241 256171377 /nfs/dbraw/zinc/17/13/77/256171377.db2.gz VVFOOKFVWQFWTO-KRWDZBQOSA-N 1 3 369.513 2.737 20 0 FFADHO COCCOc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278414166 256309749 /nfs/dbraw/zinc/30/97/49/256309749.db2.gz FOEBICDYSYCDAZ-ZWKOTPCHSA-N 1 3 350.503 2.863 20 0 FFADHO COCCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278414166 256309751 /nfs/dbraw/zinc/30/97/51/256309751.db2.gz FOEBICDYSYCDAZ-ZWKOTPCHSA-N 1 3 350.503 2.863 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1nccn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278959064 256365941 /nfs/dbraw/zinc/36/59/41/256365941.db2.gz MFUDBZSGPXOQGS-RNQOJCNYSA-N 1 3 354.498 2.750 20 0 FFADHO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCC(N(C)Cc2ccccc2)CC1 ZINC000286356086 257032683 /nfs/dbraw/zinc/03/26/83/257032683.db2.gz YYRWVQFYMRHJIA-IPJUCJBFSA-N 1 3 352.544 2.842 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000287959140 257133213 /nfs/dbraw/zinc/13/32/13/257133213.db2.gz HXTWUOSXJXPRHJ-YRIAPGLZSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000287959140 257133215 /nfs/dbraw/zinc/13/32/15/257133215.db2.gz HXTWUOSXJXPRHJ-YRIAPGLZSA-N 1 3 370.541 2.916 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000288678096 257217626 /nfs/dbraw/zinc/21/76/26/257217626.db2.gz WYDVZVGQFFPBDX-ZBFHGGJFSA-N 1 3 361.408 2.612 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000289395768 257278978 /nfs/dbraw/zinc/27/89/78/257278978.db2.gz DZRPRHMFQSYSSR-NRFANRHFSA-N 1 3 356.558 2.540 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000289395768 257278979 /nfs/dbraw/zinc/27/89/79/257278979.db2.gz DZRPRHMFQSYSSR-NRFANRHFSA-N 1 3 356.558 2.540 20 0 FFADHO C[N@H+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)Cc1ccccc1 ZINC000289033802 257249798 /nfs/dbraw/zinc/24/97/98/257249798.db2.gz HEOAJJQODBOYHZ-VQTJNVASSA-N 1 3 366.461 2.929 20 0 FFADHO C[N@@H+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)Cc1ccccc1 ZINC000289033802 257249799 /nfs/dbraw/zinc/24/97/99/257249799.db2.gz HEOAJJQODBOYHZ-VQTJNVASSA-N 1 3 366.461 2.929 20 0 FFADHO c1nc(C2OCCO2)sc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000290198886 257319993 /nfs/dbraw/zinc/31/99/93/257319993.db2.gz CTIAIZPEJXKNMP-UHFFFAOYSA-N 1 3 360.483 2.590 20 0 FFADHO COc1cc2[nH+]ccc(N[C@H](C)CCN3CCN(C)CC3)c2cc1OC ZINC000299052788 257960431 /nfs/dbraw/zinc/96/04/31/257960431.db2.gz UQFUEJMKBONFJS-OAHLLOKOSA-N 1 3 358.486 2.690 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000065440183 506298786 /nfs/dbraw/zinc/29/87/86/506298786.db2.gz SAQJHEZMHACTDQ-NHCUHLMSSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000065440183 506298796 /nfs/dbraw/zinc/29/87/96/506298796.db2.gz SAQJHEZMHACTDQ-NHCUHLMSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]1CCC[C@@](CNC(=O)NCCN(C)Cc2ccccc2)([NH+](C)C)C1 ZINC000065540223 506319086 /nfs/dbraw/zinc/31/90/86/506319086.db2.gz UOUKUDFVKCUSIA-GHTZIAJQSA-N 1 3 360.546 2.928 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000373224566 512227930 /nfs/dbraw/zinc/22/79/30/512227930.db2.gz WAZHYUDPWXYHQI-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000369119741 512236902 /nfs/dbraw/zinc/23/69/02/512236902.db2.gz ZQBKCTDZYXGWCS-FQEVSTJZSA-N 1 3 355.530 2.699 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000369119741 512236907 /nfs/dbraw/zinc/23/69/07/512236907.db2.gz ZQBKCTDZYXGWCS-FQEVSTJZSA-N 1 3 355.530 2.699 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054726323 506610103 /nfs/dbraw/zinc/61/01/03/506610103.db2.gz GHZCZTXPAHKEKQ-ROUUACIJSA-N 1 3 373.545 2.670 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000054763860 506615867 /nfs/dbraw/zinc/61/58/67/506615867.db2.gz AUZWJNVYDGRBSO-UHFFFAOYSA-N 1 3 360.546 2.930 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000043239281 506719716 /nfs/dbraw/zinc/71/97/16/506719716.db2.gz RFPDHMVOEDSVEE-NRFANRHFSA-N 1 3 370.541 2.778 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCC[NH+]2CCCCC2)N2CCCC2)c1 ZINC000043306896 506730093 /nfs/dbraw/zinc/73/00/93/506730093.db2.gz RGPSCYVPKALLEP-FQEVSTJZSA-N 1 3 374.529 2.617 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1OC ZINC000067453002 506887091 /nfs/dbraw/zinc/88/70/91/506887091.db2.gz GKINSBNWWILVSW-HZPDHXFCSA-N 1 3 366.502 2.691 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnc(-c3cnn(C)c3)nc2)C1 ZINC000373395520 512310096 /nfs/dbraw/zinc/31/00/96/512310096.db2.gz QPAJVLXZDQANFM-IRXDYDNUSA-N 1 3 356.518 2.725 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000067705666 506982097 /nfs/dbraw/zinc/98/20/97/506982097.db2.gz VUYLMOBKRUVEDY-HXUWFJFHSA-N 1 3 367.497 2.525 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000067734543 506992738 /nfs/dbraw/zinc/99/27/38/506992738.db2.gz FLYOOSWGEJFXQQ-FPOVZHCZSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000067734543 506992742 /nfs/dbraw/zinc/99/27/42/506992742.db2.gz FLYOOSWGEJFXQQ-FPOVZHCZSA-N 1 3 372.557 2.930 20 0 FFADHO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000056796587 507095314 /nfs/dbraw/zinc/09/53/14/507095314.db2.gz UJEPNPXWGGKGFQ-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+](C)CCOc1cnccc1CNC1CCN(c2ccccc2)CC1 ZINC000377560531 512325922 /nfs/dbraw/zinc/32/59/22/512325922.db2.gz GNFBCTRKOFSDMF-UHFFFAOYSA-N 1 3 354.498 2.781 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000068546732 507265721 /nfs/dbraw/zinc/26/57/21/507265721.db2.gz HGSLMMUMFLZQIG-SFHVURJKSA-N 1 3 364.509 2.631 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000068546732 507265730 /nfs/dbraw/zinc/26/57/30/507265730.db2.gz HGSLMMUMFLZQIG-SFHVURJKSA-N 1 3 364.509 2.631 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000050136987 507667405 /nfs/dbraw/zinc/66/74/05/507667405.db2.gz VVNRJHGKZKNCLM-IAGOWNOFSA-N 1 3 366.575 2.990 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000062649769 507681561 /nfs/dbraw/zinc/68/15/61/507681561.db2.gz WNQVRJDLETYACW-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000062649769 507681568 /nfs/dbraw/zinc/68/15/68/507681568.db2.gz WNQVRJDLETYACW-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](Cc3ccc(C)cc3)C2)CC1 ZINC000051064005 507736705 /nfs/dbraw/zinc/73/67/05/507736705.db2.gz RXRTWGAFPDUZBL-HXUWFJFHSA-N 1 3 357.542 2.850 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000064229738 507786817 /nfs/dbraw/zinc/78/68/17/507786817.db2.gz RZLKAVJLWCCJPZ-UHFFFAOYSA-N 1 3 367.497 2.565 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000064229738 507786818 /nfs/dbraw/zinc/78/68/18/507786818.db2.gz RZLKAVJLWCCJPZ-UHFFFAOYSA-N 1 3 367.497 2.565 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107827938 507869283 /nfs/dbraw/zinc/86/92/83/507869283.db2.gz LNBQDUOQXJAFJI-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000078714968 507900116 /nfs/dbraw/zinc/90/01/16/507900116.db2.gz QRUJJFYBVNQNNG-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)cc2)CC1 ZINC000078714968 507900119 /nfs/dbraw/zinc/90/01/19/507900119.db2.gz QRUJJFYBVNQNNG-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C2CCN(c3nccs3)CC2)C[C@H](C)O1 ZINC000090117479 507910106 /nfs/dbraw/zinc/91/01/06/507910106.db2.gz GPTFORDIRNVUFD-HOTGVXAUSA-N 1 3 352.548 2.591 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000079198457 507942873 /nfs/dbraw/zinc/94/28/73/507942873.db2.gz BAQQIGPZOBTAOZ-SFHVURJKSA-N 1 3 358.530 2.814 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000079221378 507945871 /nfs/dbraw/zinc/94/58/71/507945871.db2.gz LELWAJVBOBJGLE-PZJWPPBQSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000079221378 507945873 /nfs/dbraw/zinc/94/58/73/507945873.db2.gz LELWAJVBOBJGLE-PZJWPPBQSA-N 1 3 374.573 2.971 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079225211 507946663 /nfs/dbraw/zinc/94/66/63/507946663.db2.gz DMOGLYRSQHWDBU-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000109340020 507956485 /nfs/dbraw/zinc/95/64/85/507956485.db2.gz KCSKHUYDGDWOBO-KRWDZBQOSA-N 1 3 359.489 2.781 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079458036 507964562 /nfs/dbraw/zinc/96/45/62/507964562.db2.gz JZHLYISRQQHZCJ-LJQANCHMSA-N 1 3 370.541 2.697 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079458036 507964563 /nfs/dbraw/zinc/96/45/63/507964563.db2.gz JZHLYISRQQHZCJ-LJQANCHMSA-N 1 3 370.541 2.697 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000073920760 507967684 /nfs/dbraw/zinc/96/76/84/507967684.db2.gz JWXHOBWPHSGRRE-QGZVFWFLSA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000073920760 507967687 /nfs/dbraw/zinc/96/76/87/507967687.db2.gz JWXHOBWPHSGRRE-QGZVFWFLSA-N 1 3 364.559 2.744 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2ccccc2C1 ZINC000079493643 507968247 /nfs/dbraw/zinc/96/82/47/507968247.db2.gz HTJWVWVEWHBVNJ-WOJBJXKFSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCc2ccccc2C1 ZINC000079493643 507968250 /nfs/dbraw/zinc/96/82/50/507968250.db2.gz HTJWVWVEWHBVNJ-WOJBJXKFSA-N 1 3 370.541 2.749 20 0 FFADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286822 507979187 /nfs/dbraw/zinc/97/91/87/507979187.db2.gz CFEYSGDZRSVDMX-ZACQAIPSSA-N 1 3 367.559 2.743 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079625514 507984261 /nfs/dbraw/zinc/98/42/61/507984261.db2.gz CKDSDOMSVZDHBE-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079625514 507984263 /nfs/dbraw/zinc/98/42/63/507984263.db2.gz CKDSDOMSVZDHBE-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000074194249 507996680 /nfs/dbraw/zinc/99/66/80/507996680.db2.gz LFYMCACFTLQYQR-UHFFFAOYSA-N 1 3 372.557 2.773 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000111480907 508103152 /nfs/dbraw/zinc/10/31/52/508103152.db2.gz LPKVCEMRWBMATQ-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N(C)Cc1ccccc1 ZINC000111875243 508133124 /nfs/dbraw/zinc/13/31/24/508133124.db2.gz KRBRMLHTYPERGB-SFHVURJKSA-N 1 3 360.546 2.880 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093281324 508134261 /nfs/dbraw/zinc/13/42/61/508134261.db2.gz CNOSOAHICDHQTJ-KRWDZBQOSA-N 1 3 364.538 2.518 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093281324 508134265 /nfs/dbraw/zinc/13/42/65/508134265.db2.gz CNOSOAHICDHQTJ-KRWDZBQOSA-N 1 3 364.538 2.518 20 0 FFADHO CC1CC[NH+](CCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000096997514 508217255 /nfs/dbraw/zinc/21/72/55/508217255.db2.gz AKPMQHNARABPKZ-HXUWFJFHSA-N 1 3 360.546 2.581 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(COC)c1 ZINC000077201572 508286617 /nfs/dbraw/zinc/28/66/17/508286617.db2.gz IQPWINBLRDFILN-LJQANCHMSA-N 1 3 362.518 2.713 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(COC)c1 ZINC000077201572 508286618 /nfs/dbraw/zinc/28/66/18/508286618.db2.gz IQPWINBLRDFILN-LJQANCHMSA-N 1 3 362.518 2.713 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103212155 508302052 /nfs/dbraw/zinc/30/20/52/508302052.db2.gz PARBSQVVAIOZSO-IRXDYDNUSA-N 1 3 371.447 2.761 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103212146 508302290 /nfs/dbraw/zinc/30/22/90/508302290.db2.gz PARBSQVVAIOZSO-IAGOWNOFSA-N 1 3 371.447 2.761 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000077581804 508337600 /nfs/dbraw/zinc/33/76/00/508337600.db2.gz IYQVOHFVUVXRMM-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000077581804 508337602 /nfs/dbraw/zinc/33/76/02/508337602.db2.gz IYQVOHFVUVXRMM-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114792146 508348175 /nfs/dbraw/zinc/34/81/75/508348175.db2.gz LBKQBSXNEDCIKX-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[N@H+](C)C1CC1 ZINC000105083581 508359568 /nfs/dbraw/zinc/35/95/68/508359568.db2.gz KWJNSBZWXONLOZ-GOEBONIOSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[N@@H+](C)C1CC1 ZINC000105083581 508359569 /nfs/dbraw/zinc/35/95/69/508359569.db2.gz KWJNSBZWXONLOZ-GOEBONIOSA-N 1 3 350.532 2.667 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000105083601 508359667 /nfs/dbraw/zinc/35/96/67/508359667.db2.gz NSBTUGSDSCVABG-MRXNPFEDSA-N 1 3 350.532 2.526 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[N@H+](C)C1CC1 ZINC000105083575 508359784 /nfs/dbraw/zinc/35/97/84/508359784.db2.gz KWJNSBZWXONLOZ-HOCLYGCPSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[N@@H+](C)C1CC1 ZINC000105083575 508359786 /nfs/dbraw/zinc/35/97/86/508359786.db2.gz KWJNSBZWXONLOZ-HOCLYGCPSA-N 1 3 350.532 2.667 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000105207666 508365583 /nfs/dbraw/zinc/36/55/83/508365583.db2.gz ZWGGOTJSGMNRLI-VQTJNVASSA-N 1 3 358.530 2.868 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000077756793 508366772 /nfs/dbraw/zinc/36/67/72/508366772.db2.gz FVVIBSBPOODKNF-IBGZPJMESA-N 1 3 358.486 2.504 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[N@H+](C)C1CC1 ZINC000105264651 508367968 /nfs/dbraw/zinc/36/79/68/508367968.db2.gz LOAMJEBGFCMMFY-HNNXBMFYSA-N 1 3 366.937 2.896 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[N@@H+](C)C1CC1 ZINC000105264651 508367972 /nfs/dbraw/zinc/36/79/72/508367972.db2.gz LOAMJEBGFCMMFY-HNNXBMFYSA-N 1 3 366.937 2.896 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccccc1 ZINC000088478839 508371898 /nfs/dbraw/zinc/37/18/98/508371898.db2.gz MXZDPQMOPVUARM-IBGZPJMESA-N 1 3 358.486 2.656 20 0 FFADHO Cc1c2cc(F)ccc2oc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077796194 508375353 /nfs/dbraw/zinc/37/53/53/508375353.db2.gz NZAAVZAUMQMTMB-UHFFFAOYSA-N 1 3 364.465 2.515 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000133800102 508451624 /nfs/dbraw/zinc/45/16/24/508451624.db2.gz XCQDEOWYKYZMMD-ZWKOTPCHSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000152716504 508500726 /nfs/dbraw/zinc/50/07/26/508500726.db2.gz YKYAZLULMFFENT-NQIIRXRSSA-N 1 3 357.542 2.836 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116522294 508524992 /nfs/dbraw/zinc/52/49/92/508524992.db2.gz VXOXGVIRFKPZSW-KRWDZBQOSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)cc1Br ZINC000157626285 508589388 /nfs/dbraw/zinc/58/93/88/508589388.db2.gz FFVKWFAUTDCEBR-UHFFFAOYSA-N 1 3 370.335 2.631 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000123037947 508625313 /nfs/dbraw/zinc/62/53/13/508625313.db2.gz ZGSRJQKOGOJLLB-PKOBYXMFSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000123037947 508625319 /nfs/dbraw/zinc/62/53/19/508625319.db2.gz ZGSRJQKOGOJLLB-PKOBYXMFSA-N 1 3 362.562 2.909 20 0 FFADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCN1CCN(C)CC1)CC3 ZINC000123092727 508635059 /nfs/dbraw/zinc/63/50/59/508635059.db2.gz HUYMXTCBCMQNGT-QGZVFWFLSA-N 1 3 370.541 2.651 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442868143 513800035 /nfs/dbraw/zinc/80/00/35/513800035.db2.gz BPMCDUOJOZJUQO-OAHLLOKOSA-N 1 3 368.363 2.996 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000158428979 508703242 /nfs/dbraw/zinc/70/32/42/508703242.db2.gz KKRHBEMCRZHIEM-HXUWFJFHSA-N 1 3 360.546 2.533 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000158428979 508703244 /nfs/dbraw/zinc/70/32/44/508703244.db2.gz KKRHBEMCRZHIEM-HXUWFJFHSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@@H](C(=O)NCCc1cccs1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123545958 508703295 /nfs/dbraw/zinc/70/32/95/508703295.db2.gz JLAXZFOKXXIXBC-INIZCTEOSA-N 1 3 351.560 2.849 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000154242433 508743905 /nfs/dbraw/zinc/74/39/05/508743905.db2.gz HAAWHSROOUSHGT-INIZCTEOSA-N 1 3 358.530 2.595 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000367265123 512414795 /nfs/dbraw/zinc/41/47/95/512414795.db2.gz SIEATNOPEBVMDH-SQNIBIBYSA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000367265123 512414797 /nfs/dbraw/zinc/41/47/97/512414797.db2.gz SIEATNOPEBVMDH-SQNIBIBYSA-N 1 3 364.921 2.869 20 0 FFADHO CC[C@@H](CN[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)[NH+]1CCCC1 ZINC000119284574 508764437 /nfs/dbraw/zinc/76/44/37/508764437.db2.gz WRWQIYZRZJFJRF-HOTGVXAUSA-N 1 3 363.502 2.885 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000154356943 508767345 /nfs/dbraw/zinc/76/73/45/508767345.db2.gz PWHQAJXJEGUJTK-INIZCTEOSA-N 1 3 358.530 2.595 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000138163343 508770017 /nfs/dbraw/zinc/77/00/17/508770017.db2.gz UIOUIQNFJZDENF-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO Cc1c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cnn1-c1ccc(F)cc1 ZINC000154440357 508785656 /nfs/dbraw/zinc/78/56/56/508785656.db2.gz LQYXYJISECUBPU-QGZVFWFLSA-N 1 3 373.520 2.998 20 0 FFADHO C[C@H](NCc1ccc(NC(N)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000130892843 508861914 /nfs/dbraw/zinc/86/19/14/508861914.db2.gz CATBEXQNSWBWLE-HNNXBMFYSA-N 1 3 356.470 2.968 20 0 FFADHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1F ZINC000130905905 508863512 /nfs/dbraw/zinc/86/35/12/508863512.db2.gz YKCHKDLONIBJBL-UHFFFAOYSA-N 1 3 369.484 2.852 20 0 FFADHO CC(CN1CCC(n2ccnc2)CC1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000124780787 508883787 /nfs/dbraw/zinc/88/37/87/508883787.db2.gz YWEWLKZZSKJLFP-UHFFFAOYSA-N 1 3 356.518 2.690 20 0 FFADHO Cc1nc(-c2cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)oc1C ZINC000119963559 508898699 /nfs/dbraw/zinc/89/86/99/508898699.db2.gz PYLCCRUPOGJJDB-UHFFFAOYSA-N 1 3 373.501 2.916 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000120229662 508954384 /nfs/dbraw/zinc/95/43/84/508954384.db2.gz DPHIQVQXMJMXDZ-PXNSSMCTSA-N 1 3 358.530 2.764 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCC(C)(C)C[NH+](C)C)c(OC)c1 ZINC000120423137 508993367 /nfs/dbraw/zinc/99/33/67/508993367.db2.gz HGUCINCQICMCSL-CQSZACIVSA-N 1 3 351.491 2.598 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c[nH]c2ccccc12 ZINC000125554837 508999225 /nfs/dbraw/zinc/99/92/25/508999225.db2.gz ZMEDDDYKEQQMAA-LJQANCHMSA-N 1 3 370.541 2.975 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c[nH]c2ccccc12 ZINC000125554837 508999227 /nfs/dbraw/zinc/99/92/27/508999227.db2.gz ZMEDDDYKEQQMAA-LJQANCHMSA-N 1 3 370.541 2.975 20 0 FFADHO CCOC(=O)N1CCC([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000125670202 509014328 /nfs/dbraw/zinc/01/43/28/509014328.db2.gz IRWHZJSMQYTQCW-MRXNPFEDSA-N 1 3 363.502 2.899 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000132411577 509027974 /nfs/dbraw/zinc/02/79/74/509027974.db2.gz QHFQIMMLDGECBL-UHFFFAOYSA-N 1 3 371.485 2.831 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000155705588 509056516 /nfs/dbraw/zinc/05/65/16/509056516.db2.gz VJCZZQLWUKXBFA-RBUKOAKNSA-N 1 3 355.530 2.608 20 0 FFADHO Cc1csc(-c2cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2)n1 ZINC000121400698 509172149 /nfs/dbraw/zinc/17/21/49/509172149.db2.gz IGHWEQJAVJCWCN-UHFFFAOYSA-N 1 3 360.527 2.684 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CC1 ZINC000182346804 509187757 /nfs/dbraw/zinc/18/77/57/509187757.db2.gz LZHYAQKICKSSHF-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175905001 509209166 /nfs/dbraw/zinc/20/91/66/509209166.db2.gz IATMGBFTMORJKX-LJQANCHMSA-N 1 3 374.529 2.891 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175905001 509209168 /nfs/dbraw/zinc/20/91/68/509209168.db2.gz IATMGBFTMORJKX-LJQANCHMSA-N 1 3 374.529 2.891 20 0 FFADHO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(CN(C)C)c2)c1 ZINC000191950913 509260120 /nfs/dbraw/zinc/26/01/20/509260120.db2.gz BJTWZFYLRQTCKF-UHFFFAOYSA-N 1 3 369.509 2.961 20 0 FFADHO C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248398936 509295202 /nfs/dbraw/zinc/29/52/02/509295202.db2.gz OEFRABNMFDZIDF-IWQHBPENSA-N 1 3 357.542 2.991 20 0 FFADHO OCC[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000248406219 509301072 /nfs/dbraw/zinc/30/10/72/509301072.db2.gz SDAUPUPZPKZAAE-DXBBTUNJSA-N 1 3 358.526 2.666 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000179207206 509320234 /nfs/dbraw/zinc/32/02/34/509320234.db2.gz OJXHTPULJBZLFR-HFPIOELMSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248440409 509322221 /nfs/dbraw/zinc/32/22/21/509322221.db2.gz JLRFWAGWNADUSS-APWZRJJASA-N 1 3 362.514 2.853 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248440409 509322225 /nfs/dbraw/zinc/32/22/25/509322225.db2.gz JLRFWAGWNADUSS-APWZRJJASA-N 1 3 362.514 2.853 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)C1 ZINC000176204649 509377167 /nfs/dbraw/zinc/37/71/67/509377167.db2.gz YBGYUKIPBIRNPT-QZTJIDSGSA-N 1 3 360.546 2.868 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248634202 509403977 /nfs/dbraw/zinc/40/39/77/509403977.db2.gz JMXWWWFLJHSQIS-CWKRKGSWSA-N 1 3 370.585 2.513 20 0 FFADHO COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(Br)c1[O-] ZINC000227328128 509408713 /nfs/dbraw/zinc/40/87/13/509408713.db2.gz SHFNPJITBNATAU-UHFFFAOYSA-N 1 3 357.292 2.985 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248777024 509479349 /nfs/dbraw/zinc/47/93/49/509479349.db2.gz ZBXDYRIQSUROMN-KSZLIROESA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)N1CCc2ccccc2C1 ZINC000236687395 509481876 /nfs/dbraw/zinc/48/18/76/509481876.db2.gz VVGHVMXUVPAFTI-WOJBJXKFSA-N 1 3 355.526 2.575 20 0 FFADHO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000173263809 509486411 /nfs/dbraw/zinc/48/64/11/509486411.db2.gz NYQXCELRTBGADM-RDJZCZTQSA-N 1 3 352.548 2.772 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[NH+]1CCC(C)CC1 ZINC000176458394 509522963 /nfs/dbraw/zinc/52/29/63/509522963.db2.gz BLTJJWUNEJRPRS-KRWDZBQOSA-N 1 3 366.575 2.942 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000173309595 509523699 /nfs/dbraw/zinc/52/36/99/509523699.db2.gz NMVFCKUFCQBXMR-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000173309595 509523704 /nfs/dbraw/zinc/52/37/04/509523704.db2.gz NMVFCKUFCQBXMR-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000236880316 509523799 /nfs/dbraw/zinc/52/37/99/509523799.db2.gz JPVBZTPNEVNFQR-HXUWFJFHSA-N 1 3 355.482 2.837 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000248902496 509538288 /nfs/dbraw/zinc/53/82/88/509538288.db2.gz AMECUIDLOFUCAI-CTNGQTDRSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000248902496 509538291 /nfs/dbraw/zinc/53/82/91/509538291.db2.gz AMECUIDLOFUCAI-CTNGQTDRSA-N 1 3 372.557 2.927 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCn2ccnc2)CC1 ZINC000179669420 509565454 /nfs/dbraw/zinc/56/54/54/509565454.db2.gz NLLCNKMJNUETRN-QGZVFWFLSA-N 1 3 359.493 2.905 20 0 FFADHO COCCOc1ccccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000267625128 509570818 /nfs/dbraw/zinc/57/08/18/509570818.db2.gz REMYBHVKZXGCMS-ROUUACIJSA-N 1 3 350.503 2.691 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(F)cccc1OC ZINC000186244281 509596865 /nfs/dbraw/zinc/59/68/65/509596865.db2.gz FXZCNJREZDRXJW-OAHLLOKOSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(F)cccc1OC ZINC000186244281 509596870 /nfs/dbraw/zinc/59/68/70/509596870.db2.gz FXZCNJREZDRXJW-OAHLLOKOSA-N 1 3 366.481 2.714 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000249100505 509603836 /nfs/dbraw/zinc/60/38/36/509603836.db2.gz WCPIRVLZDSAIDT-VXKWHMMOSA-N 1 3 364.622 2.989 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000249100505 509603841 /nfs/dbraw/zinc/60/38/41/509603841.db2.gz WCPIRVLZDSAIDT-VXKWHMMOSA-N 1 3 364.622 2.989 20 0 FFADHO C[NH2+]CCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000237255841 509604880 /nfs/dbraw/zinc/60/48/80/509604880.db2.gz PGLRWZOPBUIGHE-UHFFFAOYSA-N 1 3 366.509 2.947 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000176606517 509608104 /nfs/dbraw/zinc/60/81/04/509608104.db2.gz TWHRPYQNIYGPCV-SJORKVTESA-N 1 3 350.507 2.534 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000186272316 509615237 /nfs/dbraw/zinc/61/52/37/509615237.db2.gz ZPZKJBYCPFZCDE-WOJBJXKFSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000186272976 509616972 /nfs/dbraw/zinc/61/69/72/509616972.db2.gz AUSVVETXGJHDAI-CTNGQTDRSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000186272976 509616978 /nfs/dbraw/zinc/61/69/78/509616978.db2.gz AUSVVETXGJHDAI-CTNGQTDRSA-N 1 3 372.557 2.880 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000237314628 509619660 /nfs/dbraw/zinc/61/96/60/509619660.db2.gz AGVOJUXSXDVYHQ-HNNXBMFYSA-N 1 3 363.502 2.883 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000237373983 509635963 /nfs/dbraw/zinc/63/59/63/509635963.db2.gz LDWDLKIQJPZOHL-WIYYLYMNSA-N 1 3 351.494 2.852 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000237399159 509639285 /nfs/dbraw/zinc/63/92/85/509639285.db2.gz VOFKCTMAMKHETD-OPYAIIAOSA-N 1 3 373.541 2.814 20 0 FFADHO CCCO[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000249296670 509650795 /nfs/dbraw/zinc/65/07/95/509650795.db2.gz MODFQBHGIOYCGL-WOJBJXKFSA-N 1 3 361.530 2.687 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168901541 509651939 /nfs/dbraw/zinc/65/19/39/509651939.db2.gz YZADNNLOPWKLJW-MRXNPFEDSA-N 1 3 368.591 2.616 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000173564735 509655028 /nfs/dbraw/zinc/65/50/28/509655028.db2.gz VRHREBMSNDVTKG-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO Cc1cc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000169090434 509656574 /nfs/dbraw/zinc/65/65/74/509656574.db2.gz VADYOLMWACHWPI-FQEVSTJZSA-N 1 3 367.493 2.978 20 0 FFADHO CCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249352124 509660009 /nfs/dbraw/zinc/66/00/09/509660009.db2.gz QEXVHXMWAVVHLP-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249352124 509660011 /nfs/dbraw/zinc/66/00/11/509660011.db2.gz QEXVHXMWAVVHLP-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249362802 509662062 /nfs/dbraw/zinc/66/20/62/509662062.db2.gz TWEWYMWCLWEATI-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249362802 509662074 /nfs/dbraw/zinc/66/20/74/509662074.db2.gz TWEWYMWCLWEATI-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000249395246 509670047 /nfs/dbraw/zinc/67/00/47/509670047.db2.gz ATCNSFDGCMZCGU-OBKDMQGPSA-N 1 3 367.578 2.606 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000249403753 509673056 /nfs/dbraw/zinc/67/30/56/509673056.db2.gz CRQNKYBSVFVMFL-UZBXCCIZSA-N 1 3 367.578 2.796 20 0 FFADHO C[C@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000237549448 509676443 /nfs/dbraw/zinc/67/64/43/509676443.db2.gz LDWDLKIQJPZOHL-RXVVDRJESA-N 1 3 351.494 2.852 20 0 FFADHO C[C@H]1CN(CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000267958644 509687300 /nfs/dbraw/zinc/68/73/00/509687300.db2.gz DDTBIAJUOUHGTN-OALUTQOASA-N 1 3 373.541 2.902 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180175640 509794237 /nfs/dbraw/zinc/79/42/37/509794237.db2.gz MSJMKVIAUPXNBE-FQEVSTJZSA-N 1 3 370.541 2.975 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180175640 509794247 /nfs/dbraw/zinc/79/42/47/509794247.db2.gz MSJMKVIAUPXNBE-FQEVSTJZSA-N 1 3 370.541 2.975 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2cncc(Br)c2)C[C@H](C)O1 ZINC000186609255 509799482 /nfs/dbraw/zinc/79/94/82/509799482.db2.gz FQTDZTJKYTUTFY-KBPBESRZSA-N 1 3 356.308 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268211310 509815976 /nfs/dbraw/zinc/81/59/76/509815976.db2.gz ZQEMYKQGILKTNG-SLYNCCJLSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268211310 509815985 /nfs/dbraw/zinc/81/59/85/509815985.db2.gz ZQEMYKQGILKTNG-SLYNCCJLSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173853266 509816932 /nfs/dbraw/zinc/81/69/32/509816932.db2.gz VNABNQIWFXVBPG-XLIONFOSSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000173853266 509816936 /nfs/dbraw/zinc/81/69/36/509816936.db2.gz VNABNQIWFXVBPG-XLIONFOSSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173853278 509817481 /nfs/dbraw/zinc/81/74/81/509817481.db2.gz VNABNQIWFXVBPG-PXNSSMCTSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000173853278 509817487 /nfs/dbraw/zinc/81/74/87/509817487.db2.gz VNABNQIWFXVBPG-PXNSSMCTSA-N 1 3 358.530 2.559 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180217585 509818840 /nfs/dbraw/zinc/81/88/40/509818840.db2.gz HPUPYJUNCBPLPH-IBGZPJMESA-N 1 3 373.545 2.559 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180217585 509818846 /nfs/dbraw/zinc/81/88/46/509818846.db2.gz HPUPYJUNCBPLPH-IBGZPJMESA-N 1 3 373.545 2.559 20 0 FFADHO O=C(CC1CC[NH2+]CC1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000238155487 509826775 /nfs/dbraw/zinc/82/67/75/509826775.db2.gz CUWJQDIIERNDFZ-UHFFFAOYSA-N 1 3 356.514 2.547 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000177142849 509897639 /nfs/dbraw/zinc/89/76/39/509897639.db2.gz FALKVGKJASEITE-SJLPKXTDSA-N 1 3 359.514 2.762 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)[NH+]1CCCC1 ZINC000171035049 509901746 /nfs/dbraw/zinc/90/17/46/509901746.db2.gz PJMQAZMGWOCNCV-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000174020397 509907113 /nfs/dbraw/zinc/90/71/13/509907113.db2.gz UDGZASMQSNAIRC-GOSISDBHSA-N 1 3 369.431 2.651 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186839787 509910109 /nfs/dbraw/zinc/91/01/09/509910109.db2.gz FUZCQAGALWRGOY-MJGOQNOKSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2OCc2ccccn2)CC1 ZINC000268421208 509919200 /nfs/dbraw/zinc/91/92/00/509919200.db2.gz LOQZRZJOBNRZJV-UHFFFAOYSA-N 1 3 369.509 2.986 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC000177301864 509986227 /nfs/dbraw/zinc/98/62/27/509986227.db2.gz WYOWNFFNVJDJAX-UTKZUKDTSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000177299175 509986375 /nfs/dbraw/zinc/98/63/75/509986375.db2.gz NPZJFIFGHHOBQU-IRXDYDNUSA-N 1 3 367.559 2.708 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC000177301877 509986614 /nfs/dbraw/zinc/98/66/14/509986614.db2.gz WYOWNFFNVJDJAX-UWJYYQICSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000261607716 509998282 /nfs/dbraw/zinc/99/82/82/509998282.db2.gz AGXCQIOACAPWRB-KYJSFNMBSA-N 1 3 369.431 2.637 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000245652966 510062469 /nfs/dbraw/zinc/06/24/69/510062469.db2.gz CDLZAYCSLHTMGP-ICSRJNTNSA-N 1 3 360.546 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000245652966 510062474 /nfs/dbraw/zinc/06/24/74/510062474.db2.gz CDLZAYCSLHTMGP-ICSRJNTNSA-N 1 3 360.546 2.880 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268863103 510106627 /nfs/dbraw/zinc/10/66/27/510106627.db2.gz ZJKDLUKLMQPTOS-HXUWFJFHSA-N 1 3 374.573 2.592 20 0 FFADHO c1csc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)CC2)c1 ZINC000261923468 510118384 /nfs/dbraw/zinc/11/83/84/510118384.db2.gz KRNJWYPGACKTDL-XUVXKRRUSA-N 1 3 363.571 2.707 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[NH+]2CCCC2)cc1 ZINC000174452966 510121076 /nfs/dbraw/zinc/12/10/76/510121076.db2.gz RLOWMLNKWBRIKM-NHCUHLMSSA-N 1 3 368.525 2.788 20 0 FFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261972907 510134092 /nfs/dbraw/zinc/13/40/92/510134092.db2.gz QUBWFVGYKFJDGL-VAMGGRTRSA-N 1 3 361.555 2.804 20 0 FFADHO FC(F)(F)COc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262037189 510156061 /nfs/dbraw/zinc/15/60/61/510156061.db2.gz YBAOFNFIIAGUAS-BZUAXINKSA-N 1 3 358.404 2.874 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(OCCN(C)C)c1 ZINC000265679653 510171665 /nfs/dbraw/zinc/17/16/65/510171665.db2.gz BOGNPVSYHVYKLQ-AEFFLSMTSA-N 1 3 360.502 2.684 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(OCCN(C)C)c1 ZINC000265679653 510171671 /nfs/dbraw/zinc/17/16/71/510171671.db2.gz BOGNPVSYHVYKLQ-AEFFLSMTSA-N 1 3 360.502 2.684 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245876266 510181209 /nfs/dbraw/zinc/18/12/09/510181209.db2.gz IHRHJBYUHMUZGZ-QTMHVTGLSA-N 1 3 350.551 2.621 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000194030151 510182288 /nfs/dbraw/zinc/18/22/88/510182288.db2.gz SQSALHNLDKEVHO-QHAWAJNXSA-N 1 3 356.510 2.691 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000269043218 510206911 /nfs/dbraw/zinc/20/69/11/510206911.db2.gz VXVVKPATWNTHBC-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000269043218 510206919 /nfs/dbraw/zinc/20/69/19/510206919.db2.gz VXVVKPATWNTHBC-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000246019549 510252735 /nfs/dbraw/zinc/25/27/35/510252735.db2.gz UUNHKXORSIEIES-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000246019549 510252739 /nfs/dbraw/zinc/25/27/39/510252739.db2.gz UUNHKXORSIEIES-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)c2csc(CC[NH3+])n2)CCN1Cc1ccccc1 ZINC000262423791 510274475 /nfs/dbraw/zinc/27/44/75/510274475.db2.gz VKDRXOBKPUYQJJ-DOTOQJQBSA-N 1 3 372.538 2.769 20 0 FFADHO COCC1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]CC1 ZINC000262432385 510278069 /nfs/dbraw/zinc/27/80/69/510278069.db2.gz WSHUPBGVHXJALJ-FQEVSTJZSA-N 1 3 373.541 2.592 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](CN)c3ccccc3)cc2)CC1 ZINC000269282734 510322893 /nfs/dbraw/zinc/32/28/93/510322893.db2.gz GTJATINCCGAYLA-FQEVSTJZSA-N 1 3 352.482 2.510 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](CN)c3ccccc3)cc2)CC1 ZINC000269282734 510322896 /nfs/dbraw/zinc/32/28/96/510322896.db2.gz GTJATINCCGAYLA-FQEVSTJZSA-N 1 3 352.482 2.510 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCC[C@H](C)C1)CC2 ZINC000246177338 510340526 /nfs/dbraw/zinc/34/05/26/510340526.db2.gz LPUXSYUMSVHOSR-MANSERQUSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCC[C@H](C)C1)CC2 ZINC000246177338 510340532 /nfs/dbraw/zinc/34/05/32/510340532.db2.gz LPUXSYUMSVHOSR-MANSERQUSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)CC2 ZINC000246177331 510340593 /nfs/dbraw/zinc/34/05/93/510340593.db2.gz LPUXSYUMSVHOSR-HCXYKTFWSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)CC2 ZINC000246177331 510340597 /nfs/dbraw/zinc/34/05/97/510340597.db2.gz LPUXSYUMSVHOSR-HCXYKTFWSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000174889580 510369279 /nfs/dbraw/zinc/36/92/79/510369279.db2.gz QSLPWYBKUQSUMR-MJGOQNOKSA-N 1 3 356.514 2.772 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000178034675 510390541 /nfs/dbraw/zinc/39/05/41/510390541.db2.gz ZLLLBSNPWWSRBU-OALUTQOASA-N 1 3 360.546 2.525 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1(C)C ZINC000262753137 510397740 /nfs/dbraw/zinc/39/77/40/510397740.db2.gz AHOWXWBANOQNLR-ZWDAVXSWSA-N 1 3 373.541 2.861 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Cc4ccccc4F)CC3)CC2)CC1 ZINC000187719420 510401772 /nfs/dbraw/zinc/40/17/72/510401772.db2.gz XDRFUNYGKCAWTA-UHFFFAOYSA-N 1 3 373.516 2.823 20 0 FFADHO CN(c1ccccc1CN[C@@H]1Cc2ccccc2[C@H]1O)C1CC[NH+](C)CC1 ZINC000246281222 510404272 /nfs/dbraw/zinc/40/42/72/510404272.db2.gz AXMIKMXZHSKDKF-FYYLOGMGSA-N 1 3 365.521 2.965 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000262784023 510410392 /nfs/dbraw/zinc/41/03/92/510410392.db2.gz LVUWRSKZGWOEEB-KNQAVFIVSA-N 1 3 373.541 2.608 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000246308522 510417969 /nfs/dbraw/zinc/41/79/69/510417969.db2.gz JOYIGAUVOMEXLS-FTEYMNFISA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000246308522 510417977 /nfs/dbraw/zinc/41/79/77/510417977.db2.gz JOYIGAUVOMEXLS-FTEYMNFISA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)C1CC1 ZINC000246346458 510438431 /nfs/dbraw/zinc/43/84/31/510438431.db2.gz JKEWRDNLQXHXJZ-KZNAEPCWSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)C1CC1 ZINC000246346458 510438438 /nfs/dbraw/zinc/43/84/38/510438438.db2.gz JKEWRDNLQXHXJZ-KZNAEPCWSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccco1 ZINC000184743871 510495345 /nfs/dbraw/zinc/49/53/45/510495345.db2.gz GZNFKWZPCWSBNI-QRTHJKPMSA-N 1 3 355.482 2.642 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000175182717 510521698 /nfs/dbraw/zinc/52/16/98/510521698.db2.gz DVWFBYFTTKEOHW-MRXNPFEDSA-N 1 3 352.548 2.916 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000175182717 510521705 /nfs/dbraw/zinc/52/17/05/510521705.db2.gz DVWFBYFTTKEOHW-MRXNPFEDSA-N 1 3 352.548 2.916 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1csc(CC[NH3+])n1)c1ccsc1 ZINC000194828339 510548044 /nfs/dbraw/zinc/54/80/44/510548044.db2.gz CIDKKLHLUYGUGA-AWEZNQCLSA-N 1 3 352.529 2.519 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000172128688 510556632 /nfs/dbraw/zinc/55/66/32/510556632.db2.gz NOAKZSOAXRUDSW-GOSISDBHSA-N 1 3 358.530 2.766 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000184901586 510573095 /nfs/dbraw/zinc/57/30/95/510573095.db2.gz ZKQSQFSQWNKXOG-QUCCMNQESA-N 1 3 371.529 2.529 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CC1 ZINC000184901586 510573105 /nfs/dbraw/zinc/57/31/05/510573105.db2.gz ZKQSQFSQWNKXOG-QUCCMNQESA-N 1 3 371.529 2.529 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000246629960 510592127 /nfs/dbraw/zinc/59/21/27/510592127.db2.gz SRYOLRFVOHHQDG-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000246629960 510592132 /nfs/dbraw/zinc/59/21/32/510592132.db2.gz SRYOLRFVOHHQDG-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000246730189 510640618 /nfs/dbraw/zinc/64/06/18/510640618.db2.gz MWFHJQZDYWMZTN-DLBZAZTESA-N 1 3 362.518 2.882 20 0 FFADHO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000246730189 510640621 /nfs/dbraw/zinc/64/06/21/510640621.db2.gz MWFHJQZDYWMZTN-DLBZAZTESA-N 1 3 362.518 2.882 20 0 FFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000178698674 510726847 /nfs/dbraw/zinc/72/68/47/510726847.db2.gz HKMQBPPNFDKOQU-GOSISDBHSA-N 1 3 355.530 2.982 20 0 FFADHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000182061167 510735788 /nfs/dbraw/zinc/73/57/88/510735788.db2.gz YUILQRZSFACVQE-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000246998314 510791412 /nfs/dbraw/zinc/79/14/12/510791412.db2.gz WSVGOWGYYIFJAW-MBOZVWFJSA-N 1 3 373.545 2.731 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000246998314 510791414 /nfs/dbraw/zinc/79/14/14/510791414.db2.gz WSVGOWGYYIFJAW-MBOZVWFJSA-N 1 3 373.545 2.731 20 0 FFADHO C[C@H]1CCCC[C@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343432 510794396 /nfs/dbraw/zinc/79/43/96/510794396.db2.gz XACMQUHTBZGEBJ-QFBILLFUSA-N 1 3 350.551 2.765 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@]34CCc3ccccc34)CC2)CC1 ZINC000175813544 510804539 /nfs/dbraw/zinc/80/45/39/510804539.db2.gz SXIZJSNTIBDESS-FYYLOGMGSA-N 1 3 367.537 2.565 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCO2 ZINC000182259741 510837080 /nfs/dbraw/zinc/83/70/80/510837080.db2.gz AOXKVAOXRNDBRU-KXBFYZLASA-N 1 3 354.450 2.833 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCO2 ZINC000182259741 510837086 /nfs/dbraw/zinc/83/70/86/510837086.db2.gz AOXKVAOXRNDBRU-KXBFYZLASA-N 1 3 354.450 2.833 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247317026 510856795 /nfs/dbraw/zinc/85/67/95/510856795.db2.gz HQWDDOHCICDQAX-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360669920 510934439 /nfs/dbraw/zinc/93/44/39/510934439.db2.gz FSISMDSTTCYGLD-JBACZVJFSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360669920 510934444 /nfs/dbraw/zinc/93/44/44/510934444.db2.gz FSISMDSTTCYGLD-JBACZVJFSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282484052 510996442 /nfs/dbraw/zinc/99/64/42/510996442.db2.gz XBONPCRMFKBQBD-HNNXBMFYSA-N 1 3 366.937 2.673 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000364725240 511044430 /nfs/dbraw/zinc/04/44/30/511044430.db2.gz ZGGALQJXFCHBKB-QWFCFKBJSA-N 1 3 354.535 2.741 20 0 FFADHO Cc1ccc(CNC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(-c2cnn(C)c2)c1 ZINC000282646667 511059206 /nfs/dbraw/zinc/05/92/06/511059206.db2.gz LNRYGXXHMXTRBA-VXKWHMMOSA-N 1 3 368.525 2.863 20 0 FFADHO CN1CCC(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000294612304 511121339 /nfs/dbraw/zinc/12/13/39/511121339.db2.gz NZYJOOBUBCBGRV-UHFFFAOYSA-N 1 3 355.526 2.843 20 0 FFADHO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298058779 511161502 /nfs/dbraw/zinc/16/15/02/511161502.db2.gz JVXJTHZABOOUSE-OXJNMPFZSA-N 1 3 355.486 2.634 20 0 FFADHO C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCC(OCCN2CCCC2)CC1 ZINC000271326271 511164442 /nfs/dbraw/zinc/16/44/42/511164442.db2.gz UVANTHRRCOFIOL-MRXNPFEDSA-N 1 3 370.497 2.711 20 0 FFADHO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000298090055 511171036 /nfs/dbraw/zinc/17/10/36/511171036.db2.gz MPLBYZIDDIRFAA-UHFFFAOYSA-N 1 3 361.559 2.697 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000282998378 511194693 /nfs/dbraw/zinc/19/46/93/511194693.db2.gz QXYMQAASHQTUIF-UXHICEINSA-N 1 3 372.557 2.880 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc2C1 ZINC000333306129 511197953 /nfs/dbraw/zinc/19/79/53/511197953.db2.gz KYAYQTGSFNESNZ-GOSISDBHSA-N 1 3 371.529 2.627 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)CC2)nc(C)n1 ZINC000333339987 511210030 /nfs/dbraw/zinc/21/00/30/511210030.db2.gz XVKSQRYAJMPAHJ-XUVXKRRUSA-N 1 3 357.546 2.963 20 0 FFADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271745854 511308623 /nfs/dbraw/zinc/30/86/23/511308623.db2.gz QVVQDLMMYOEEPG-INIZCTEOSA-N 1 3 353.532 2.641 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000365205700 511314968 /nfs/dbraw/zinc/31/49/68/511314968.db2.gz CYKPBSHPJBYRPN-UHFFFAOYSA-N 1 3 359.514 2.575 20 0 FFADHO O=C(OCc1ccccc1)c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c[nH]1 ZINC000295210645 511321926 /nfs/dbraw/zinc/32/19/26/511321926.db2.gz AMOKHLHYJKAEAN-QGZVFWFLSA-N 1 3 353.466 2.946 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298856617 511433024 /nfs/dbraw/zinc/43/30/24/511433024.db2.gz IWILGWWQLXUDQV-JKSUJKDBSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298856617 511433026 /nfs/dbraw/zinc/43/30/26/511433026.db2.gz IWILGWWQLXUDQV-JKSUJKDBSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(C2CCC2)C1 ZINC000298856617 511433031 /nfs/dbraw/zinc/43/30/31/511433031.db2.gz IWILGWWQLXUDQV-JKSUJKDBSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272157261 511450195 /nfs/dbraw/zinc/45/01/95/511450195.db2.gz CZTCMUNXIUUIDO-XIRDDKMYSA-N 1 3 369.431 2.650 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)C(C)(C)n1cncn1 ZINC000284130719 511616311 /nfs/dbraw/zinc/61/63/11/511616311.db2.gz ODWZLBBRJHPOKS-KRWDZBQOSA-N 1 3 359.518 2.912 20 0 FFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cccc(Br)c1F ZINC000296106626 511621600 /nfs/dbraw/zinc/62/16/00/511621600.db2.gz SDVUWPLMLFRCFE-UHFFFAOYSA-N 1 3 358.299 2.658 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000299399969 511622668 /nfs/dbraw/zinc/62/26/68/511622668.db2.gz SEGVIXBFHWKXPO-AEFFLSMTSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000299399969 511622671 /nfs/dbraw/zinc/62/26/71/511622671.db2.gz SEGVIXBFHWKXPO-AEFFLSMTSA-N 1 3 365.493 2.881 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000365901067 511719363 /nfs/dbraw/zinc/71/93/63/511719363.db2.gz BFCSVGKEHMRGFW-RXVVDRJESA-N 1 3 372.557 2.880 20 0 FFADHO CC1CCN(C(=[NH2+])NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000303259499 511729914 /nfs/dbraw/zinc/72/99/14/511729914.db2.gz MEEQLAFSAOEHSF-HXUWFJFHSA-N 1 3 357.546 2.621 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274747238 511929803 /nfs/dbraw/zinc/92/98/03/511929803.db2.gz GRQIXZGTFFFMSW-RZUBCFFCSA-N 1 3 358.574 2.513 20 0 FFADHO COCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000293378037 511942715 /nfs/dbraw/zinc/94/27/15/511942715.db2.gz IFPQJGVVZSDZPS-PWRODBHTSA-N 1 3 358.526 2.930 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293574099 512013293 /nfs/dbraw/zinc/01/32/93/512013293.db2.gz DORDRLNHTDYJFG-QGZVFWFLSA-N 1 3 374.529 2.710 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000293638434 512035572 /nfs/dbraw/zinc/03/55/72/512035572.db2.gz ZSCXAZHCYADYMZ-UZKOGDIHSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000293638434 512035576 /nfs/dbraw/zinc/03/55/76/512035576.db2.gz ZSCXAZHCYADYMZ-UZKOGDIHSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000293638382 512035718 /nfs/dbraw/zinc/03/57/18/512035718.db2.gz ZSCXAZHCYADYMZ-CBQOVEMMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000293638382 512035722 /nfs/dbraw/zinc/03/57/22/512035722.db2.gz ZSCXAZHCYADYMZ-CBQOVEMMSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000364389614 512105885 /nfs/dbraw/zinc/10/58/85/512105885.db2.gz XMNQXQYUNWHMNY-PCCBWWKXSA-N 1 3 373.541 2.663 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4CCN(C)C[C@H]43)CC2)CC1 ZINC000371560907 512467130 /nfs/dbraw/zinc/46/71/30/512467130.db2.gz PHYZASJEAOJGEX-DCCYDQLOSA-N 1 3 362.562 2.765 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000373819342 512520875 /nfs/dbraw/zinc/52/08/75/512520875.db2.gz XAPGABDNVOEVER-HMXCVIKNSA-N 1 3 354.498 2.864 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000371869263 512611145 /nfs/dbraw/zinc/61/11/45/512611145.db2.gz FVNPFVAILKENFE-UHFFFAOYSA-N 1 3 371.529 2.828 20 0 FFADHO C[NH+]1CCC2(CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)CC1 ZINC000374066029 512646783 /nfs/dbraw/zinc/64/67/83/512646783.db2.gz DERGBILHXAPXNQ-UHFFFAOYSA-N 1 3 360.889 2.656 20 0 FFADHO C[C@H](NC(=O)N1CCCC12CCN(C)CC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376072805 512647908 /nfs/dbraw/zinc/64/79/08/512647908.db2.gz XECMEQSHDMHIBT-ZWKOTPCHSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](NC(=O)N1CCCC12CCN(C)CC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000376072805 512647910 /nfs/dbraw/zinc/64/79/10/512647910.db2.gz XECMEQSHDMHIBT-ZWKOTPCHSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000411479318 512654826 /nfs/dbraw/zinc/65/48/26/512654826.db2.gz VTKMIESLSQASLR-GOSISDBHSA-N 1 3 372.557 2.926 20 0 FFADHO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000369877872 512661198 /nfs/dbraw/zinc/66/11/98/512661198.db2.gz MEYRASZPROIKFK-NDXORKPFSA-N 1 3 355.526 2.711 20 0 FFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000411556525 512688061 /nfs/dbraw/zinc/68/80/61/512688061.db2.gz XSBCDOJDCGEXPB-PZJWPPBQSA-N 1 3 357.542 2.978 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000369950330 512696415 /nfs/dbraw/zinc/69/64/15/512696415.db2.gz GZERXRGLKFYBJX-GOSISDBHSA-N 1 3 358.530 2.843 20 0 FFADHO CCCOc1ccc(C(C)(C)NCC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000411669585 512748232 /nfs/dbraw/zinc/74/82/32/512748232.db2.gz ZMRHYNVXMLMMFB-UHFFFAOYSA-N 1 3 361.530 2.901 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc2nccn21 ZINC000378444663 512762853 /nfs/dbraw/zinc/76/28/53/512762853.db2.gz QSGAZRPAJQXRIF-UHFFFAOYSA-N 1 3 369.557 2.962 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000411826950 512834003 /nfs/dbraw/zinc/83/40/03/512834003.db2.gz VTDNQTDFYFNNOU-YSIASYRMSA-N 1 3 373.541 2.673 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000411826950 512834006 /nfs/dbraw/zinc/83/40/06/512834006.db2.gz VTDNQTDFYFNNOU-YSIASYRMSA-N 1 3 373.541 2.673 20 0 FFADHO C[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000378581041 512835340 /nfs/dbraw/zinc/83/53/40/512835340.db2.gz MNMYRDAQNRAPIN-SFHVURJKSA-N 1 3 362.562 2.934 20 0 FFADHO C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000378581041 512835346 /nfs/dbraw/zinc/83/53/46/512835346.db2.gz MNMYRDAQNRAPIN-SFHVURJKSA-N 1 3 362.562 2.934 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000368218648 512850044 /nfs/dbraw/zinc/85/00/44/512850044.db2.gz IJIRSVJDGKPXHX-UHFFFAOYSA-N 1 3 361.505 2.748 20 0 FFADHO O=C1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H]2CCCCN12 ZINC000394433077 512936420 /nfs/dbraw/zinc/93/64/20/512936420.db2.gz YMUZMOCFIOPAHP-VIYGXFRKSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H]2CCCCN12 ZINC000394433077 512936423 /nfs/dbraw/zinc/93/64/23/512936423.db2.gz YMUZMOCFIOPAHP-VIYGXFRKSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@H]2CCCCN12 ZINC000394433077 512936424 /nfs/dbraw/zinc/93/64/24/512936424.db2.gz YMUZMOCFIOPAHP-VIYGXFRKSA-N 1 3 353.510 2.640 20 0 FFADHO COc1cc(C)nc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397513616 512946276 /nfs/dbraw/zinc/94/62/76/512946276.db2.gz AMAKKJGMCQHWTK-UHFFFAOYSA-N 1 3 355.482 2.515 20 0 FFADHO COc1cc(F)cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397602280 512948046 /nfs/dbraw/zinc/94/80/46/512948046.db2.gz VDCFSJNUBWUKLQ-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO OC1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC000397696909 512949046 /nfs/dbraw/zinc/94/90/46/512949046.db2.gz SMJYPQUVEUWIRQ-SJORKVTESA-N 1 3 372.431 2.713 20 0 FFADHO OC1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC000397696906 512949090 /nfs/dbraw/zinc/94/90/90/512949090.db2.gz SMJYPQUVEUWIRQ-DLBZAZTESA-N 1 3 372.431 2.713 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000368552252 512997279 /nfs/dbraw/zinc/99/72/79/512997279.db2.gz WTHRPXDVIOSRDG-UHFFFAOYSA-N 1 3 358.530 2.941 20 0 FFADHO CSCC[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376830605 513006388 /nfs/dbraw/zinc/00/63/88/513006388.db2.gz YYGSQMIYCXDARR-SFHVURJKSA-N 1 3 361.555 2.582 20 0 FFADHO CSCC[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376830605 513006391 /nfs/dbraw/zinc/00/63/91/513006391.db2.gz YYGSQMIYCXDARR-SFHVURJKSA-N 1 3 361.555 2.582 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000377034974 513095689 /nfs/dbraw/zinc/09/56/89/513095689.db2.gz QXSBNAYXLGRXIB-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCC1 ZINC000445866056 513131617 /nfs/dbraw/zinc/13/16/17/513131617.db2.gz JNUHUAJWEUTBGT-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417655494 513139916 /nfs/dbraw/zinc/13/99/16/513139916.db2.gz SXRWIXGHRFUETD-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1CCO2 ZINC000433802030 513153462 /nfs/dbraw/zinc/15/34/62/513153462.db2.gz NICNVOTUHJECIE-MRXNPFEDSA-N 1 3 360.502 2.501 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1CCO2 ZINC000433802030 513153472 /nfs/dbraw/zinc/15/34/72/513153472.db2.gz NICNVOTUHJECIE-MRXNPFEDSA-N 1 3 360.502 2.501 20 0 FFADHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000439626230 513154193 /nfs/dbraw/zinc/15/41/93/513154193.db2.gz VZTYJAYFNVOPSG-FFZOFVMBSA-N 1 3 373.541 2.559 20 0 FFADHO C[NH2+]C[C@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417680101 513156600 /nfs/dbraw/zinc/15/66/00/513156600.db2.gz IGKGESLWTXMOOZ-YLJYHZDGSA-N 1 3 372.557 2.710 20 0 FFADHO CCCN(C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000417693857 513166721 /nfs/dbraw/zinc/16/67/21/513166721.db2.gz RABRLFQGUCWAIN-FXAWDEMLSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](Cn1cccn1)NCc1cc(C[NH2+][C@@H](C)Cn2cccn2)ccc1F ZINC000450380447 513167732 /nfs/dbraw/zinc/16/77/32/513167732.db2.gz RTSOCGFFJYJTEO-IRXDYDNUSA-N 1 3 370.476 2.575 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@@H]1c1cccs1 ZINC000417733901 513185576 /nfs/dbraw/zinc/18/55/76/513185576.db2.gz JICABXDINITABO-SZVBFZGTSA-N 1 3 362.543 2.526 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417741111 513190279 /nfs/dbraw/zinc/19/02/79/513190279.db2.gz TUFAMFDQHVYCNG-HOCLYGCPSA-N 1 3 352.548 2.757 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCNC(C)(C)C2)[C@H]1c1cccs1 ZINC000417740745 513190431 /nfs/dbraw/zinc/19/04/31/513190431.db2.gz SDMAYZWOCSSNHF-ZBFHGGJFSA-N 1 3 350.532 2.524 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCNC(C)(C)C2)[C@H]1c1cccs1 ZINC000417740745 513190432 /nfs/dbraw/zinc/19/04/32/513190432.db2.gz SDMAYZWOCSSNHF-ZBFHGGJFSA-N 1 3 350.532 2.524 20 0 FFADHO CN(CC[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417748791 513195181 /nfs/dbraw/zinc/19/51/81/513195181.db2.gz SVRCUGFHOGEIDT-GOEBONIOSA-N 1 3 372.435 2.688 20 0 FFADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415313602 513199833 /nfs/dbraw/zinc/19/98/33/513199833.db2.gz VNKWJNOBEFZRBC-SJLPKXTDSA-N 1 3 360.502 2.800 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000446267498 513223123 /nfs/dbraw/zinc/22/31/23/513223123.db2.gz SJPLSBHBTZWKKX-WOIUINJBSA-N 1 3 373.541 2.676 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000446267498 513223129 /nfs/dbraw/zinc/22/31/29/513223129.db2.gz SJPLSBHBTZWKKX-WOIUINJBSA-N 1 3 373.541 2.676 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000417838772 513230492 /nfs/dbraw/zinc/23/04/92/513230492.db2.gz NIAUMWXPHUGMDO-PIKOESSRSA-N 1 3 358.530 2.808 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000417843017 513233581 /nfs/dbraw/zinc/23/35/81/513233581.db2.gz QBJZIMDNVRHZEB-UXPWSPDFSA-N 1 3 358.530 2.856 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000417847450 513234358 /nfs/dbraw/zinc/23/43/58/513234358.db2.gz URDVHMICHHQBEX-LMCOJAPRSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000417847457 513235104 /nfs/dbraw/zinc/23/51/04/513235104.db2.gz URPCJSCOFFGVPJ-SYYKKAFVSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CN1Cc1ccccc1 ZINC000417869678 513247701 /nfs/dbraw/zinc/24/77/01/513247701.db2.gz HMVMGMDIKBYITJ-PBASOCQRSA-N 1 3 370.541 2.681 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000417873413 513248178 /nfs/dbraw/zinc/24/81/78/513248178.db2.gz LRSWBQASBGIVIW-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)CN1Cc1ccccc1 ZINC000417878932 513250504 /nfs/dbraw/zinc/25/05/04/513250504.db2.gz QYACYEXSWXRQRK-RXVVDRJESA-N 1 3 366.509 2.820 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417888863 513256530 /nfs/dbraw/zinc/25/65/30/513256530.db2.gz JCWDRLOIYKVCQW-LYYGHALDSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417888863 513256536 /nfs/dbraw/zinc/25/65/36/513256536.db2.gz JCWDRLOIYKVCQW-LYYGHALDSA-N 1 3 358.530 2.535 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440146663 513259022 /nfs/dbraw/zinc/25/90/22/513259022.db2.gz OKEGBTHFUNZBPA-LJQANCHMSA-N 1 3 359.514 2.650 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440146663 513259027 /nfs/dbraw/zinc/25/90/27/513259027.db2.gz OKEGBTHFUNZBPA-LJQANCHMSA-N 1 3 359.514 2.650 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000429029073 513261599 /nfs/dbraw/zinc/26/15/99/513261599.db2.gz DHGRDIRYCUNYNC-GUYCJALGSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000429029073 513261600 /nfs/dbraw/zinc/26/16/00/513261600.db2.gz DHGRDIRYCUNYNC-GUYCJALGSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000417945691 513295942 /nfs/dbraw/zinc/29/59/42/513295942.db2.gz QVWHSQFOOGWXNL-MHTWAQMVSA-N 1 3 370.541 2.996 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000417945692 513296006 /nfs/dbraw/zinc/29/60/06/513296006.db2.gz QVWHSQFOOGWXNL-PLACYPQZSA-N 1 3 370.541 2.996 20 0 FFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417945276 513296648 /nfs/dbraw/zinc/29/66/48/513296648.db2.gz DBIVWLZXQRLCKU-FKBYEOEOSA-N 1 3 365.521 2.669 20 0 FFADHO CN1CC[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)[C@H]1c1ccccc1 ZINC000417948169 513299236 /nfs/dbraw/zinc/29/92/36/513299236.db2.gz STYDNQJEIWYPJO-LEWJYISDSA-N 1 3 366.509 2.645 20 0 FFADHO CCn1nncc1CNCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000417973394 513310200 /nfs/dbraw/zinc/31/02/00/513310200.db2.gz USRPTQQQAUMSLE-HDICACEKSA-N 1 3 371.529 2.597 20 0 FFADHO CCn1nncc1CNCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000417973394 513310208 /nfs/dbraw/zinc/31/02/08/513310208.db2.gz USRPTQQQAUMSLE-HDICACEKSA-N 1 3 371.529 2.597 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000446740047 513328099 /nfs/dbraw/zinc/32/80/99/513328099.db2.gz ABLYHHCUTBELPP-XLIONFOSSA-N 1 3 357.502 2.740 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418028425 513342108 /nfs/dbraw/zinc/34/21/08/513342108.db2.gz HNNPOQWUFQANSA-QHAWAJNXSA-N 1 3 372.557 2.784 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000418032458 513343809 /nfs/dbraw/zinc/34/38/09/513343809.db2.gz LZGGUVVHSHYRSF-RLLQIKCJSA-N 1 3 360.546 2.769 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000418038609 513346502 /nfs/dbraw/zinc/34/65/02/513346502.db2.gz SLLZDVATIPENEO-PMACEKPBSA-N 1 3 360.546 2.784 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418103000 513373787 /nfs/dbraw/zinc/37/37/87/513373787.db2.gz IESRKFUMUNOXTM-PCCBWWKXSA-N 1 3 370.541 2.540 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000418147669 513390872 /nfs/dbraw/zinc/39/08/72/513390872.db2.gz QUJMIDFYISNZKB-DFQSSKMNSA-N 1 3 358.530 2.714 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000418148162 513391226 /nfs/dbraw/zinc/39/12/26/513391226.db2.gz RAFDKVKXSJTOJG-RBBKRZOGSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418153783 513394861 /nfs/dbraw/zinc/39/48/61/513394861.db2.gz JDHUPDRJIJALFE-NQIIRXRSSA-N 1 3 358.530 2.667 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccco1 ZINC000418172546 513404716 /nfs/dbraw/zinc/40/47/16/513404716.db2.gz WWPTUHBNQACRAB-UAGQMJEPSA-N 1 3 350.507 2.916 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccco1 ZINC000418172346 513404788 /nfs/dbraw/zinc/40/47/88/513404788.db2.gz WSLWIOJVWINIPU-QAETUUGQSA-N 1 3 350.507 2.773 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC[C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000418181265 513409063 /nfs/dbraw/zinc/40/90/63/513409063.db2.gz LFQKNUZFISEBBL-WMLDXEAASA-N 1 3 354.926 2.878 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418186308 513411751 /nfs/dbraw/zinc/41/17/51/513411751.db2.gz CFDWWFCERLXBMB-ICSRJNTNSA-N 1 3 360.546 2.787 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000418191171 513414859 /nfs/dbraw/zinc/41/48/59/513414859.db2.gz KMNDZOOOZUPPKS-HBMCJLEFSA-N 1 3 372.557 2.739 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000418230805 513432678 /nfs/dbraw/zinc/43/26/78/513432678.db2.gz JTFRPTNCSTXLLB-NXHRZFHOSA-N 1 3 364.559 2.828 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418236713 513435369 /nfs/dbraw/zinc/43/53/69/513435369.db2.gz UYWRNZLEYZBSDU-ZVZYQTTQSA-N 1 3 364.559 2.638 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCC1 ZINC000418240930 513438255 /nfs/dbraw/zinc/43/82/55/513438255.db2.gz JIMMWANRQDWORA-IBGZPJMESA-N 1 3 358.530 2.812 20 0 FFADHO COC1([C@@H](C)[NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCCC1 ZINC000421840613 513449199 /nfs/dbraw/zinc/44/91/99/513449199.db2.gz ZZZNYTIVHYKRQO-XLIONFOSSA-N 1 3 373.541 2.821 20 0 FFADHO C[C@H](NC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418308216 513457598 /nfs/dbraw/zinc/45/75/98/513457598.db2.gz FSGSCAAATAZZPF-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc3c(c2)CNCC3)cc1 ZINC000415898127 513467552 /nfs/dbraw/zinc/46/75/52/513467552.db2.gz QNKNUARCXGWOIS-UHFFFAOYSA-N 1 3 352.482 2.758 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418390767 513492752 /nfs/dbraw/zinc/49/27/52/513492752.db2.gz UAPPHEAYFOENRS-CTNGQTDRSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418395721 513494486 /nfs/dbraw/zinc/49/44/86/513494486.db2.gz HMFOFHIQIFAXOI-INIZCTEOSA-N 1 3 372.435 2.516 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418399190 513496230 /nfs/dbraw/zinc/49/62/30/513496230.db2.gz DKBIVZTVBRBSQH-SJLPKXTDSA-N 1 3 366.937 2.931 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)Nc1ccc2c(c1F)CCNC2)C(C)(C)C ZINC000415961036 513500801 /nfs/dbraw/zinc/50/08/01/513500801.db2.gz QLXBETCCHQHJNQ-INIZCTEOSA-N 1 3 350.482 2.959 20 0 FFADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418423561 513503926 /nfs/dbraw/zinc/50/39/26/513503926.db2.gz FWKVNFKQKVNQLO-FQEVSTJZSA-N 1 3 367.497 2.639 20 0 FFADHO C[N@H+](CCCNC(=O)Nc1ccc2c(c1)CNCCO2)Cc1ccccc1 ZINC000415968944 513506448 /nfs/dbraw/zinc/50/64/48/513506448.db2.gz GBWLUBYRJQEIIT-UHFFFAOYSA-N 1 3 368.481 2.812 20 0 FFADHO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1)CNCCO2)Cc1ccccc1 ZINC000415968944 513506454 /nfs/dbraw/zinc/50/64/54/513506454.db2.gz GBWLUBYRJQEIIT-UHFFFAOYSA-N 1 3 368.481 2.812 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000415979394 513513337 /nfs/dbraw/zinc/51/33/37/513513337.db2.gz WUZLKWZCHCBXOD-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000418465983 513522762 /nfs/dbraw/zinc/52/27/62/513522762.db2.gz NMWWABWQKOZHDN-MOPGFXCFSA-N 1 3 361.534 2.595 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000415994915 513526081 /nfs/dbraw/zinc/52/60/81/513526081.db2.gz JGVZEYBRJUUVQZ-KXBFYZLASA-N 1 3 360.502 2.548 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000415994915 513526089 /nfs/dbraw/zinc/52/60/89/513526089.db2.gz JGVZEYBRJUUVQZ-KXBFYZLASA-N 1 3 360.502 2.548 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418490993 513530631 /nfs/dbraw/zinc/53/06/31/513530631.db2.gz RFPFZBGWCLZTFZ-LJQANCHMSA-N 1 3 354.498 2.965 20 0 FFADHO CCCN(C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418497964 513533170 /nfs/dbraw/zinc/53/31/70/513533170.db2.gz KYLXSVLTUJKGIE-VQTJNVASSA-N 1 3 358.530 2.810 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cnc(-c3cccs3)s2)CC1(C)C ZINC000441344526 513545258 /nfs/dbraw/zinc/54/52/58/513545258.db2.gz FCUXFDMZZCHSQD-UHFFFAOYSA-N 1 3 350.557 2.987 20 0 FFADHO CN(C(=O)N[C@H](C[NH3+])C1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000418584402 513567105 /nfs/dbraw/zinc/56/71/05/513567105.db2.gz BZPUCVDFKHDGAG-HXUWFJFHSA-N 1 3 358.530 2.810 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418590397 513567700 /nfs/dbraw/zinc/56/77/00/513567700.db2.gz BMSKGMNMONITFC-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000435382449 513570316 /nfs/dbraw/zinc/57/03/16/513570316.db2.gz ZZBKPSQJEPUJCW-MAZHCROVSA-N 1 3 358.438 2.787 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418600982 513572767 /nfs/dbraw/zinc/57/27/67/513572767.db2.gz KMYGFAPJKDCTGE-UHFFFAOYSA-N 1 3 358.530 2.502 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418618408 513580161 /nfs/dbraw/zinc/58/01/61/513580161.db2.gz IZZRISDOFJQGMP-SFHVURJKSA-N 1 3 368.472 2.556 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418628218 513583349 /nfs/dbraw/zinc/58/33/49/513583349.db2.gz BWIQDDJBXUITQE-DZFGPLHGSA-N 1 3 368.525 2.532 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418628218 513583352 /nfs/dbraw/zinc/58/33/52/513583352.db2.gz BWIQDDJBXUITQE-DZFGPLHGSA-N 1 3 368.525 2.532 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418638833 513587369 /nfs/dbraw/zinc/58/73/69/513587369.db2.gz LBFRSOYRHGSRAU-GOSISDBHSA-N 1 3 364.509 2.677 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430233959 513595607 /nfs/dbraw/zinc/59/56/07/513595607.db2.gz STWJUCSBFVTJIT-OAQYLSRUSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430233959 513595617 /nfs/dbraw/zinc/59/56/17/513595617.db2.gz STWJUCSBFVTJIT-OAQYLSRUSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418709086 513619006 /nfs/dbraw/zinc/61/90/06/513619006.db2.gz CUQWQXQTUQHWSO-PMACEKPBSA-N 1 3 360.546 2.710 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416174984 513623601 /nfs/dbraw/zinc/62/36/01/513623601.db2.gz CZVYGHKEJOHTSS-LJQANCHMSA-N 1 3 357.542 2.919 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416174984 513623606 /nfs/dbraw/zinc/62/36/06/513623606.db2.gz CZVYGHKEJOHTSS-LJQANCHMSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418732731 513628245 /nfs/dbraw/zinc/62/82/45/513628245.db2.gz UTFNOUOTBHMYLL-RLLQIKCJSA-N 1 3 358.530 2.667 20 0 FFADHO CC[C@@H](C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1)N(CC)CC ZINC000435602592 513632872 /nfs/dbraw/zinc/63/28/72/513632872.db2.gz DGUSHJRUUQNSQF-HOTGVXAUSA-N 1 3 352.548 2.510 20 0 FFADHO CC[C@@H](C(=O)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1)N(CC)CC ZINC000435602591 513633314 /nfs/dbraw/zinc/63/33/14/513633314.db2.gz DGUSHJRUUQNSQF-CVEARBPZSA-N 1 3 352.548 2.510 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425554681 513636819 /nfs/dbraw/zinc/63/68/19/513636819.db2.gz WXMYSSMGFPJMCR-YSIASYRMSA-N 1 3 358.530 2.631 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425554681 513636822 /nfs/dbraw/zinc/63/68/22/513636822.db2.gz WXMYSSMGFPJMCR-YSIASYRMSA-N 1 3 358.530 2.631 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000418761392 513645128 /nfs/dbraw/zinc/64/51/28/513645128.db2.gz FUPRRYNJCRVCGB-IRXDYDNUSA-N 1 3 352.910 2.774 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000422237020 513651944 /nfs/dbraw/zinc/65/19/44/513651944.db2.gz PTUJSABOUVWIBZ-BQFCYCMXSA-N 1 3 364.559 2.867 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000422237020 513651954 /nfs/dbraw/zinc/65/19/54/513651954.db2.gz PTUJSABOUVWIBZ-BQFCYCMXSA-N 1 3 364.559 2.867 20 0 FFADHO CCCN(CCN1CCN(CC)CC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416235233 513665280 /nfs/dbraw/zinc/66/52/80/513665280.db2.gz SJDDUDFSRULCQD-NRFANRHFSA-N 1 3 374.573 2.556 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000448256837 513720786 /nfs/dbraw/zinc/72/07/86/513720786.db2.gz ORAPGHQWYMBHRP-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000430681290 513721063 /nfs/dbraw/zinc/72/10/63/513721063.db2.gz QFIPRTQYJNBXHH-VDGAXYAQSA-N 1 3 357.498 2.503 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCOc1ccc2ccccc2c1 ZINC000436066490 513750274 /nfs/dbraw/zinc/75/02/74/513750274.db2.gz RBHKIFNJIOTURD-LJQANCHMSA-N 1 3 355.482 2.538 20 0 FFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430872355 513770193 /nfs/dbraw/zinc/77/01/93/513770193.db2.gz IOVRSNGJFGQMGX-BEFAXECRSA-N 1 3 360.502 2.813 20 0 FFADHO CC(C)(C)[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430873840 513770361 /nfs/dbraw/zinc/77/03/61/513770361.db2.gz XHRROLGZDRNPTN-GOSISDBHSA-N 1 3 360.502 2.813 20 0 FFADHO C[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCC(C)CC1 ZINC000431066380 513817325 /nfs/dbraw/zinc/81/73/25/513817325.db2.gz SPTLNIKWIFNPRJ-KRWDZBQOSA-N 1 3 356.514 2.840 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000443232501 513907344 /nfs/dbraw/zinc/90/73/44/513907344.db2.gz VWQUJZOXCIIAPR-PKOBYXMFSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000443231985 513908112 /nfs/dbraw/zinc/90/81/12/513908112.db2.gz AAUJZJZDYHGJAR-ADKAHSJRSA-N 1 3 352.567 2.869 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422722007 513912279 /nfs/dbraw/zinc/91/22/79/513912279.db2.gz WPEDJRQUYMXFNK-CEXWTWQISA-N 1 3 350.528 2.751 20 0 FFADHO c1cc(CN2CCOCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422761816 513924700 /nfs/dbraw/zinc/92/47/00/513924700.db2.gz HQYBSUQTXYRACM-YPAWHYETSA-N 1 3 357.542 2.919 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422767709 513926644 /nfs/dbraw/zinc/92/66/44/513926644.db2.gz YUHOQGRCYGFGER-KJJMTIBFSA-N 1 3 373.541 2.579 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422769635 513927486 /nfs/dbraw/zinc/92/74/86/513927486.db2.gz VVEYFSJMCYTHSD-HZUKXOBISA-N 1 3 359.283 2.863 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCCc1ccc(Br)cc1F ZINC000422769635 513927492 /nfs/dbraw/zinc/92/74/92/513927492.db2.gz VVEYFSJMCYTHSD-HZUKXOBISA-N 1 3 359.283 2.863 20 0 FFADHO c1ccc(CN2CCO[C@H](CN[C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1 ZINC000422768042 513927853 /nfs/dbraw/zinc/92/78/53/513927853.db2.gz NNBFKTNEYUFYMM-ZRBLBEILSA-N 1 3 365.521 2.970 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000422773741 513928932 /nfs/dbraw/zinc/92/89/32/513928932.db2.gz UXFAYOSHXHMDQG-GCJKJVERSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000422773741 513928936 /nfs/dbraw/zinc/92/89/36/513928936.db2.gz UXFAYOSHXHMDQG-GCJKJVERSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000422775455 513929030 /nfs/dbraw/zinc/92/90/30/513929030.db2.gz AGZBXURDLZNBPL-ZIAGYGMSSA-N 1 3 358.452 2.673 20 0 FFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1OC(F)(F)F ZINC000422785441 513932202 /nfs/dbraw/zinc/93/22/02/513932202.db2.gz JSKRHVXIRHPFED-NTQSIJHJSA-N 1 3 358.404 2.609 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCN(c2ccccc2)CC1 ZINC000422809347 513939127 /nfs/dbraw/zinc/93/91/27/513939127.db2.gz MATAYEQFDJEFGX-REWPJTCUSA-N 1 3 366.553 2.747 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000422809347 513939133 /nfs/dbraw/zinc/93/91/33/513939133.db2.gz MATAYEQFDJEFGX-REWPJTCUSA-N 1 3 366.553 2.747 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422857990 513955233 /nfs/dbraw/zinc/95/52/33/513955233.db2.gz ZCTYZDSKXGVGEZ-JJRVBVJISA-N 1 3 359.436 2.794 20 0 FFADHO c1ccc(-c2ccc(NCCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nn2)cc1 ZINC000422863569 513956116 /nfs/dbraw/zinc/95/61/16/513956116.db2.gz RZZYIKQKWDMOIR-CEWLAPEOSA-N 1 3 365.525 3.456 20 0 FFADHO CN(CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)(F)F ZINC000422868812 513958273 /nfs/dbraw/zinc/95/82/73/513958273.db2.gz WEGADEQNZDNIPU-DOTOQJQBSA-N 1 3 357.420 2.716 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000431684498 513967037 /nfs/dbraw/zinc/96/70/37/513967037.db2.gz FZUCKNZXYGMKHU-SCTDSRPQSA-N 1 3 370.607 2.624 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416797745 513971281 /nfs/dbraw/zinc/97/12/81/513971281.db2.gz YXGNFVRBRIEGFC-UXHICEINSA-N 1 3 370.541 2.682 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422946954 513987078 /nfs/dbraw/zinc/98/70/78/513987078.db2.gz XKMIVUJXLNFXTQ-LPHOPBHVSA-N 1 3 350.938 2.569 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422946954 513987082 /nfs/dbraw/zinc/98/70/82/513987082.db2.gz XKMIVUJXLNFXTQ-LPHOPBHVSA-N 1 3 350.938 2.569 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416828302 513987945 /nfs/dbraw/zinc/98/79/45/513987945.db2.gz DPYZIRUJRHHJQU-CVEARBPZSA-N 1 3 352.548 2.804 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000416835538 513992265 /nfs/dbraw/zinc/99/22/65/513992265.db2.gz FOGKZYGRPYCGCW-ULQDDVLXSA-N 1 3 364.559 2.949 20 0 FFADHO Brc1cccc(NCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422963107 513993100 /nfs/dbraw/zinc/99/31/00/513993100.db2.gz HMVFJVATLODNAN-YESZJQIVSA-N 1 3 368.319 2.608 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000416842123 513996737 /nfs/dbraw/zinc/99/67/37/513996737.db2.gz MRCWBOAIZRLYPI-ZBFHGGJFSA-N 1 3 350.532 2.654 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1OC ZINC000422984932 513998220 /nfs/dbraw/zinc/99/82/20/513998220.db2.gz BPVLUTZBGWZNHU-HCXYKTFWSA-N 1 3 361.530 2.817 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000416847692 513999719 /nfs/dbraw/zinc/99/97/19/513999719.db2.gz VXBXOWURGKWMJE-PWRODBHTSA-N 1 3 370.541 2.825 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCCCc3ccccc32)(N2CCOCC2)CC1 ZINC000414181607 514000091 /nfs/dbraw/zinc/00/00/91/514000091.db2.gz CDTCVKONQIPVBV-OAQYLSRUSA-N 1 3 357.542 2.840 20 0 FFADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000416846863 514000596 /nfs/dbraw/zinc/00/05/96/514000596.db2.gz UTBZKHBLSIXLLI-WOJBJXKFSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414184874 514001891 /nfs/dbraw/zinc/00/18/91/514001891.db2.gz FZHBVVHLCVCUAK-QGZVFWFLSA-N 1 3 365.949 2.657 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1cc(Cl)ccc1Br ZINC000422998566 514004016 /nfs/dbraw/zinc/00/40/16/514004016.db2.gz QSMYKSBESUADNZ-ZBINZKHDSA-N 1 3 361.711 2.987 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000422998566 514004023 /nfs/dbraw/zinc/00/40/23/514004023.db2.gz QSMYKSBESUADNZ-ZBINZKHDSA-N 1 3 361.711 2.987 20 0 FFADHO CCOc1ccccc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414192751 514004396 /nfs/dbraw/zinc/00/43/96/514004396.db2.gz MJWLXZPLFNBULR-SFHVURJKSA-N 1 3 361.530 2.533 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414191918 514004593 /nfs/dbraw/zinc/00/45/93/514004593.db2.gz LORYCCPPGZNZML-GIVPXCGWSA-N 1 3 357.542 2.565 20 0 FFADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414194064 514006168 /nfs/dbraw/zinc/00/61/68/514006168.db2.gz MZXZUDHAJPHFIB-WOJBJXKFSA-N 1 3 351.579 2.978 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000431800221 514006821 /nfs/dbraw/zinc/00/68/21/514006821.db2.gz ODLJPFLOCOOHFO-NHCUHLMSSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000431800221 514006828 /nfs/dbraw/zinc/00/68/28/514006828.db2.gz ODLJPFLOCOOHFO-NHCUHLMSSA-N 1 3 373.541 2.524 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N2CCCC2)c1 ZINC000416856138 514006898 /nfs/dbraw/zinc/00/68/98/514006898.db2.gz QVOHFXCOEAPUII-IBGZPJMESA-N 1 3 374.529 2.521 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000431803212 514008088 /nfs/dbraw/zinc/00/80/88/514008088.db2.gz XBEBHHAXGAVXMV-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000431803212 514008097 /nfs/dbraw/zinc/00/80/97/514008097.db2.gz XBEBHHAXGAVXMV-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO CN1CCC(C[NH2+]C2CCC(C(C)(C)C)CC2)(N2CCOCC2)CC1 ZINC000414199752 514010060 /nfs/dbraw/zinc/01/00/60/514010060.db2.gz RGAJZESFHCQPHZ-UHFFFAOYSA-N 1 3 351.579 2.978 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C(F)(F)F)C1 ZINC000431823149 514011976 /nfs/dbraw/zinc/01/19/76/514011976.db2.gz MJAQKWTVURQQGP-KBUPBQIOSA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C(F)(F)F)C1 ZINC000431823149 514011979 /nfs/dbraw/zinc/01/19/79/514011979.db2.gz MJAQKWTVURQQGP-KBUPBQIOSA-N 1 3 361.452 2.638 20 0 FFADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414207686 514012813 /nfs/dbraw/zinc/01/28/13/514012813.db2.gz ZUGRPQKMWLMMMN-QUCCMNQESA-N 1 3 357.542 2.930 20 0 FFADHO CN(CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000416867189 514013346 /nfs/dbraw/zinc/01/33/46/514013346.db2.gz CJABPORFIBGIHA-LEWJYISDSA-N 1 3 366.509 2.563 20 0 FFADHO CN(C)[C@H](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000431859395 514022751 /nfs/dbraw/zinc/02/27/51/514022751.db2.gz FVJTXIGXVNVCLU-PWRODBHTSA-N 1 3 373.541 2.564 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423079999 514032954 /nfs/dbraw/zinc/03/29/54/514032954.db2.gz ZDFBIXVBFSZDPE-VJBMBRPKSA-N 1 3 367.537 2.826 20 0 FFADHO CCOC(=O)CCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426804402 514046056 /nfs/dbraw/zinc/04/60/56/514046056.db2.gz UDTHDDUVRARBJQ-QZTJIDSGSA-N 1 3 354.535 2.931 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423112744 514047176 /nfs/dbraw/zinc/04/71/76/514047176.db2.gz KGVXFMWHLSIHNG-QRVBRYPASA-N 1 3 359.514 2.567 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1(C)C ZINC000414322864 514047772 /nfs/dbraw/zinc/04/77/72/514047772.db2.gz HQRBRBDUWUMVOS-WOJBJXKFSA-N 1 3 373.541 2.677 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](COC)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000423119425 514048689 /nfs/dbraw/zinc/04/86/89/514048689.db2.gz CIEFNBWCCUUCAY-WMLDXEAASA-N 1 3 368.905 2.939 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000423141617 514057546 /nfs/dbraw/zinc/05/75/46/514057546.db2.gz QWQVRHTWJCLGKM-WVBUVRCRSA-N 1 3 372.509 2.545 20 0 FFADHO CSc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423143981 514058282 /nfs/dbraw/zinc/05/82/82/514058282.db2.gz FVMGQZGAIDPEOT-NMLBUPMWSA-N 1 3 363.571 2.758 20 0 FFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414349271 514059243 /nfs/dbraw/zinc/05/92/43/514059243.db2.gz YOTNFSBCUWOKMO-LEWJYISDSA-N 1 3 373.541 2.679 20 0 FFADHO COC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423148028 514060633 /nfs/dbraw/zinc/06/06/33/514060633.db2.gz DWRGBIIBYPCHTI-GDAAHCPNSA-N 1 3 352.906 2.817 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423152966 514061671 /nfs/dbraw/zinc/06/16/71/514061671.db2.gz GRKZTHAVKPTYTN-DCGLDWPTSA-N 1 3 373.310 2.846 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423152966 514061676 /nfs/dbraw/zinc/06/16/76/514061676.db2.gz GRKZTHAVKPTYTN-DCGLDWPTSA-N 1 3 373.310 2.846 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423156142 514063744 /nfs/dbraw/zinc/06/37/44/514063744.db2.gz MDVXFEDIMDKIJB-YSVLISHTSA-N 1 3 355.320 2.626 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423156142 514063748 /nfs/dbraw/zinc/06/37/48/514063748.db2.gz MDVXFEDIMDKIJB-YSVLISHTSA-N 1 3 355.320 2.626 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCCN2CCOCC2)CC1 ZINC000449082304 514065035 /nfs/dbraw/zinc/06/50/35/514065035.db2.gz MGPTVSKPZQLZEE-HXUWFJFHSA-N 1 3 359.558 2.784 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000420298836 514078663 /nfs/dbraw/zinc/07/86/63/514078663.db2.gz HZANSRQFQQZRGO-VQIMIIECSA-N 1 3 361.530 2.610 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3C[C@@H](C)NC[C@@H]3C)cc2)C1 ZINC000416973354 514078714 /nfs/dbraw/zinc/07/87/14/514078714.db2.gz UWNBSJPIBYSDEJ-KURKYZTESA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3C[C@@H](C)NC[C@@H]3C)cc2)C1 ZINC000416973354 514078717 /nfs/dbraw/zinc/07/87/17/514078717.db2.gz UWNBSJPIBYSDEJ-KURKYZTESA-N 1 3 358.530 2.810 20 0 FFADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420299572 514079063 /nfs/dbraw/zinc/07/90/63/514079063.db2.gz IZRVRCZBSXMQQC-HXUWFJFHSA-N 1 3 369.509 2.961 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420299572 514079065 /nfs/dbraw/zinc/07/90/65/514079065.db2.gz IZRVRCZBSXMQQC-HXUWFJFHSA-N 1 3 369.509 2.961 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420299572 514079067 /nfs/dbraw/zinc/07/90/67/514079067.db2.gz IZRVRCZBSXMQQC-HXUWFJFHSA-N 1 3 369.509 2.961 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000416975516 514081414 /nfs/dbraw/zinc/08/14/14/514081414.db2.gz MZGGJGCRRAFIRL-QFIPXVFZSA-N 1 3 370.541 2.745 20 0 FFADHO CC(C)[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420341135 514101114 /nfs/dbraw/zinc/10/11/14/514101114.db2.gz NTPRSKMQPFPZME-UEXGIBASSA-N 1 3 361.505 2.961 20 0 FFADHO CC[C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000417005891 514111855 /nfs/dbraw/zinc/11/18/55/514111855.db2.gz DYKSJNXWZGSCJB-PMACEKPBSA-N 1 3 360.546 2.838 20 0 FFADHO CC(C)C[C@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)C(=O)NCCN(C)C ZINC000449209584 514113101 /nfs/dbraw/zinc/11/31/01/514113101.db2.gz UZTMCDHPKMRNRO-KSSFIOAISA-N 1 3 355.473 2.750 20 0 FFADHO CC[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000417015522 514121066 /nfs/dbraw/zinc/12/10/66/514121066.db2.gz MQIMNBYIVVPBII-PMACEKPBSA-N 1 3 358.530 2.655 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)ccc2o1 ZINC000420387187 514122725 /nfs/dbraw/zinc/12/27/25/514122725.db2.gz JYKRTXBCVFUTMC-IEBWSBKVSA-N 1 3 372.465 2.938 20 0 FFADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423395806 514127492 /nfs/dbraw/zinc/12/74/92/514127492.db2.gz RYLLLDZXIMPBNH-JOCHJYFZSA-N 1 3 351.494 2.761 20 0 FFADHO Cc1cc(C)c2c(c1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423396034 514128061 /nfs/dbraw/zinc/12/80/61/514128061.db2.gz SXVJSTUWIBDXFR-IRXDYDNUSA-N 1 3 371.447 2.943 20 0 FFADHO C[C@H]1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000420405390 514134568 /nfs/dbraw/zinc/13/45/68/514134568.db2.gz MSRPTLBXNAPOPP-QWHCGFSZSA-N 1 3 354.292 2.694 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420412580 514139018 /nfs/dbraw/zinc/13/90/18/514139018.db2.gz SILCSLUDCPJZCN-QESAQDPVSA-N 1 3 354.494 2.675 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420412580 514139021 /nfs/dbraw/zinc/13/90/21/514139021.db2.gz SILCSLUDCPJZCN-QESAQDPVSA-N 1 3 354.494 2.675 20 0 FFADHO Cc1cc(Cl)ccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414484549 514145945 /nfs/dbraw/zinc/14/59/45/514145945.db2.gz NZGWZFFBIWPAKL-UHFFFAOYSA-N 1 3 351.922 2.535 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000417079640 514157042 /nfs/dbraw/zinc/15/70/42/514157042.db2.gz NJKXYEFTCPDDCG-AABGKKOBSA-N 1 3 352.482 2.766 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000417079640 514157045 /nfs/dbraw/zinc/15/70/45/514157045.db2.gz NJKXYEFTCPDDCG-AABGKKOBSA-N 1 3 352.482 2.766 20 0 FFADHO O=C1[C@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccc(F)cc1 ZINC000414534611 514167054 /nfs/dbraw/zinc/16/70/54/514167054.db2.gz VFXHFYIMOMRCCC-LJQANCHMSA-N 1 3 354.429 2.585 20 0 FFADHO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000414555376 514177179 /nfs/dbraw/zinc/17/71/79/514177179.db2.gz MGNNGEJFGHZPHD-PZJWPPBQSA-N 1 3 373.541 2.679 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449397028 514194849 /nfs/dbraw/zinc/19/48/49/514194849.db2.gz UFWPJZOLOQBXMB-GSPCLOLRSA-N 1 3 371.569 2.724 20 0 FFADHO CN(C)CCN(C(=O)c1ccc2c(ccn2CCC[NH3+])c1)C1CCCC1 ZINC000423713935 514209942 /nfs/dbraw/zinc/20/99/42/514209942.db2.gz RCUSHLUQXNFTQY-UHFFFAOYSA-N 1 3 356.514 2.937 20 0 FFADHO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](N)c1ccccc1 ZINC000423777830 514226433 /nfs/dbraw/zinc/22/64/33/514226433.db2.gz CEZIHFJXXKDTKA-JXFKEZNVSA-N 1 3 352.482 2.750 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000417203723 514229139 /nfs/dbraw/zinc/22/91/39/514229139.db2.gz YZWLTNXSEKQAIF-OXQOHEQNSA-N 1 3 354.498 2.678 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000417214651 514235595 /nfs/dbraw/zinc/23/55/95/514235595.db2.gz LHODIJWSXJBPKY-QHAWAJNXSA-N 1 3 370.541 2.711 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000414679321 514239394 /nfs/dbraw/zinc/23/93/94/514239394.db2.gz ZKHSQTSOXCGEBI-NRFANRHFSA-N 1 3 351.494 2.886 20 0 FFADHO CCCN1CCN(c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449555527 514252952 /nfs/dbraw/zinc/25/29/52/514252952.db2.gz HRXGXYPFBKGVIS-SEJPIABJSA-N 1 3 356.558 2.933 20 0 FFADHO CCCN1CCN(c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449555527 514252959 /nfs/dbraw/zinc/25/29/59/514252959.db2.gz HRXGXYPFBKGVIS-SEJPIABJSA-N 1 3 356.558 2.933 20 0 FFADHO CN(C)CCOc1ccccc1N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444569084 514260785 /nfs/dbraw/zinc/26/07/85/514260785.db2.gz KXQLZIFRGIIMAH-UHFFFAOYSA-N 1 3 374.573 2.625 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000423898174 514280567 /nfs/dbraw/zinc/28/05/67/514280567.db2.gz PFZZTHMBBUTRLH-RBUKOAKNSA-N 1 3 361.530 2.973 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCCN1C)Cc1ccccc1 ZINC000420777254 514292011 /nfs/dbraw/zinc/29/20/11/514292011.db2.gz GZMNNXARHYXJEI-WOJBJXKFSA-N 1 3 360.546 2.675 20 0 FFADHO [NH3+]C[C@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C1CCCC1 ZINC000417351033 514306509 /nfs/dbraw/zinc/30/65/09/514306509.db2.gz AVGIYTCYYCKIKG-SFHVURJKSA-N 1 3 364.559 2.777 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000417352102 514306633 /nfs/dbraw/zinc/30/66/33/514306633.db2.gz FJEBSNYYGJNZMU-IFMALSPDSA-N 1 3 370.541 2.917 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)c(OC)c1 ZINC000414832956 514315127 /nfs/dbraw/zinc/31/51/27/514315127.db2.gz FKHXXIBLQUZAHV-RDTXWAMCSA-N 1 3 363.502 2.918 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414842114 514319151 /nfs/dbraw/zinc/31/91/51/514319151.db2.gz NTFYGXLEKOJLOG-KDOFPFPSSA-N 1 3 363.502 2.918 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414842113 514319834 /nfs/dbraw/zinc/31/98/34/514319834.db2.gz NTFYGXLEKOJLOG-KBXCAEBGSA-N 1 3 363.502 2.918 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420848797 514333268 /nfs/dbraw/zinc/33/32/68/514333268.db2.gz SHZQKKAIWOFNCZ-WQUXRXDGSA-N 1 3 358.530 2.821 20 0 FFADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000414880110 514337982 /nfs/dbraw/zinc/33/79/82/514337982.db2.gz PYLXOHJBMMOATD-IBGZPJMESA-N 1 3 374.529 2.505 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000414887532 514342117 /nfs/dbraw/zinc/34/21/17/514342117.db2.gz QNQLODYCRZVYJT-UHFFFAOYSA-N 1 3 356.470 2.620 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000420894451 514359203 /nfs/dbraw/zinc/35/92/03/514359203.db2.gz ROJZCFHHVCZFMV-VHBXLISGSA-N 1 3 358.530 2.821 20 0 FFADHO [NH3+]C1CCN(CCCC(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)CC1 ZINC000433130522 514394039 /nfs/dbraw/zinc/39/40/39/514394039.db2.gz AGWCLLQZKZTKOP-UHFFFAOYSA-N 1 3 355.486 2.972 20 0 FFADHO [NH3+]C1CCN(CCCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC1 ZINC000433130522 514394047 /nfs/dbraw/zinc/39/40/47/514394047.db2.gz AGWCLLQZKZTKOP-UHFFFAOYSA-N 1 3 355.486 2.972 20 0 FFADHO Fc1ccc([C@H]2CCNC[C@H]2C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000414998179 514394043 /nfs/dbraw/zinc/39/40/43/514394043.db2.gz IANGBYGBOOOSAQ-MAUKXSAKSA-N 1 3 355.448 2.838 20 0 FFADHO Fc1ccc([C@H]2CC[NH2+]C[C@H]2CNC2CCN(CC(F)F)CC2)cc1 ZINC000414998179 514394051 /nfs/dbraw/zinc/39/40/51/514394051.db2.gz IANGBYGBOOOSAQ-MAUKXSAKSA-N 1 3 355.448 2.838 20 0 FFADHO O=C(NCCC[NH2+]C1CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415065971 514425409 /nfs/dbraw/zinc/42/54/09/514425409.db2.gz ICMSFCIDYFHKPZ-UHFFFAOYSA-N 1 3 362.543 2.542 20 0 FFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415071429 514429645 /nfs/dbraw/zinc/42/96/45/514429645.db2.gz TYGVETPFPPKHDI-KRWDZBQOSA-N 1 3 364.559 2.773 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000415078705 514433650 /nfs/dbraw/zinc/43/36/50/514433650.db2.gz GTRVOYBUFHHNKV-FQEVSTJZSA-N 1 3 367.493 2.553 20 0 FFADHO COC(=O)CC1CC([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000424265178 514439795 /nfs/dbraw/zinc/43/97/95/514439795.db2.gz JIMTUXPKSHEYLD-UHFFFAOYSA-N 1 3 359.514 2.520 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415130090 514456930 /nfs/dbraw/zinc/45/69/30/514456930.db2.gz QHQLBMSCYBFKJQ-INIZCTEOSA-N 1 3 353.392 2.901 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415130090 514456934 /nfs/dbraw/zinc/45/69/34/514456934.db2.gz QHQLBMSCYBFKJQ-INIZCTEOSA-N 1 3 353.392 2.901 20 0 FFADHO COc1ccc2cc(C[N@@H+]3CCC[C@H](n4cc(CN)nn4)C3)ccc2c1 ZINC000415138152 514463831 /nfs/dbraw/zinc/46/38/31/514463831.db2.gz YLNINXPSKDFYJK-IBGZPJMESA-N 1 3 351.454 2.736 20 0 FFADHO COc1ccc2cc(C[N@H+]3CCC[C@H](n4cc(CN)nn4)C3)ccc2c1 ZINC000415138152 514463835 /nfs/dbraw/zinc/46/38/35/514463835.db2.gz YLNINXPSKDFYJK-IBGZPJMESA-N 1 3 351.454 2.736 20 0 FFADHO C[C@H](CC1CCCCC1)CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415141824 514466089 /nfs/dbraw/zinc/46/60/89/514466089.db2.gz QBSCSQDHXSGZKW-NSISKUIASA-N 1 3 362.562 2.813 20 0 FFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433499832 514504960 /nfs/dbraw/zinc/50/49/60/514504960.db2.gz UIPCFJRLYLANML-SWLSCSKDSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433499832 514504956 /nfs/dbraw/zinc/50/49/56/514504956.db2.gz UIPCFJRLYLANML-SWLSCSKDSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433564055 514514512 /nfs/dbraw/zinc/51/45/12/514514512.db2.gz HRWNGPLKSUBDAR-SCTDSRPQSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433564055 514514518 /nfs/dbraw/zinc/51/45/18/514514518.db2.gz HRWNGPLKSUBDAR-SCTDSRPQSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433569457 514517577 /nfs/dbraw/zinc/51/75/77/514517577.db2.gz RKUWLHBGPNPVJI-MJGOQNOKSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433569457 514517585 /nfs/dbraw/zinc/51/75/85/514517585.db2.gz RKUWLHBGPNPVJI-MJGOQNOKSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000455475865 514545702 /nfs/dbraw/zinc/54/57/02/514545702.db2.gz NMKQQKKBXDRNSL-RNINOARNSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455475865 514545712 /nfs/dbraw/zinc/54/57/12/514545712.db2.gz NMKQQKKBXDRNSL-RNINOARNSA-N 1 3 356.514 2.746 20 0 FFADHO COCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453108046 514545949 /nfs/dbraw/zinc/54/59/49/514545949.db2.gz KGDSWTMRQJRERK-KJJMTIBFSA-N 1 3 357.542 2.740 20 0 FFADHO COCCN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453108046 514545956 /nfs/dbraw/zinc/54/59/56/514545956.db2.gz KGDSWTMRQJRERK-KJJMTIBFSA-N 1 3 357.542 2.740 20 0 FFADHO COCCN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453108046 514545966 /nfs/dbraw/zinc/54/59/66/514545966.db2.gz KGDSWTMRQJRERK-KJJMTIBFSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCN1C ZINC000466048632 514548420 /nfs/dbraw/zinc/54/84/20/514548420.db2.gz JQUITRZUQZHDPQ-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCN1C ZINC000466048632 514548424 /nfs/dbraw/zinc/54/84/24/514548424.db2.gz JQUITRZUQZHDPQ-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000466044232 514548469 /nfs/dbraw/zinc/54/84/69/514548469.db2.gz TVUITJDUFWSLKZ-QAPCUYQASA-N 1 3 366.937 2.896 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000466044232 514548474 /nfs/dbraw/zinc/54/84/74/514548474.db2.gz TVUITJDUFWSLKZ-QAPCUYQASA-N 1 3 366.937 2.896 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CN1Cc1ccccc1 ZINC000466152460 514567323 /nfs/dbraw/zinc/56/73/23/514567323.db2.gz DWEZKNYIAPNRNQ-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466238711 514585726 /nfs/dbraw/zinc/58/57/26/514585726.db2.gz RNTRPVLJBAKEIL-KYHPRHEASA-N 1 3 350.551 2.525 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466238711 514585733 /nfs/dbraw/zinc/58/57/33/514585733.db2.gz RNTRPVLJBAKEIL-KYHPRHEASA-N 1 3 350.551 2.525 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000455620940 514638429 /nfs/dbraw/zinc/63/84/29/514638429.db2.gz SNNUDZVUDQTKKL-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000455620940 514638438 /nfs/dbraw/zinc/63/84/38/514638438.db2.gz SNNUDZVUDQTKKL-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000508043478 514646326 /nfs/dbraw/zinc/64/63/26/514646326.db2.gz IUXQDGYCQQSCSU-IAGOWNOFSA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000508043478 514646334 /nfs/dbraw/zinc/64/63/34/514646334.db2.gz IUXQDGYCQQSCSU-IAGOWNOFSA-N 1 3 374.520 2.869 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN1Cc1ccccc1 ZINC000497855190 514661276 /nfs/dbraw/zinc/66/12/76/514661276.db2.gz ZYCYBQAFLCGDFW-YFVAEKQCSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN1Cc1ccccc1 ZINC000497855190 514661283 /nfs/dbraw/zinc/66/12/83/514661283.db2.gz ZYCYBQAFLCGDFW-YFVAEKQCSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000466550590 514686817 /nfs/dbraw/zinc/68/68/17/514686817.db2.gz FVTCHYCGYSYIQL-REHHDOPLSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000466550590 514686824 /nfs/dbraw/zinc/68/68/24/514686824.db2.gz FVTCHYCGYSYIQL-REHHDOPLSA-N 1 3 370.541 2.821 20 0 FFADHO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000479698801 514692662 /nfs/dbraw/zinc/69/26/62/514692662.db2.gz GHOKAVZYJQQNFM-LJQANCHMSA-N 1 3 357.498 2.804 20 0 FFADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000461714058 514701884 /nfs/dbraw/zinc/70/18/84/514701884.db2.gz GUOHKAXJKHRZEY-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000461714058 514701894 /nfs/dbraw/zinc/70/18/94/514701894.db2.gz GUOHKAXJKHRZEY-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000489090929 514705293 /nfs/dbraw/zinc/70/52/93/514705293.db2.gz XKKUKXROJWOIOB-GHTZIAJQSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000489090929 514705302 /nfs/dbraw/zinc/70/53/02/514705302.db2.gz XKKUKXROJWOIOB-GHTZIAJQSA-N 1 3 356.514 2.577 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000498113281 514765864 /nfs/dbraw/zinc/76/58/64/514765864.db2.gz ZAHUOLAQOMZPAV-NHCUHLMSSA-N 1 3 370.541 2.908 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000458403427 514770371 /nfs/dbraw/zinc/77/03/71/514770371.db2.gz IQOKXXCSBXFIFJ-CRAIPNDOSA-N 1 3 362.543 2.547 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000458403427 514770379 /nfs/dbraw/zinc/77/03/79/514770379.db2.gz IQOKXXCSBXFIFJ-CRAIPNDOSA-N 1 3 362.543 2.547 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)[C@@H]2C1 ZINC000498130771 514773013 /nfs/dbraw/zinc/77/30/13/514773013.db2.gz HKSZSWMAPYHXFJ-RTBURBONSA-N 1 3 362.562 2.911 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000508545229 514815801 /nfs/dbraw/zinc/81/58/01/514815801.db2.gz IKRDAWRMJZNLSP-LEWJYISDSA-N 1 3 373.541 2.658 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000508545229 514815809 /nfs/dbraw/zinc/81/58/09/514815809.db2.gz IKRDAWRMJZNLSP-LEWJYISDSA-N 1 3 373.541 2.658 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466937062 514833684 /nfs/dbraw/zinc/83/36/84/514833684.db2.gz ZKXYJYXOOWEBIS-PBWTXFEYSA-N 1 3 350.551 2.669 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000471372767 514854648 /nfs/dbraw/zinc/85/46/48/514854648.db2.gz IUVLCCMDLDHKBS-OAQYLSRUSA-N 1 3 355.526 2.816 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000471372767 514854660 /nfs/dbraw/zinc/85/46/60/514854660.db2.gz IUVLCCMDLDHKBS-OAQYLSRUSA-N 1 3 355.526 2.816 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480227080 514889780 /nfs/dbraw/zinc/88/97/80/514889780.db2.gz MTSBXIQNPYYHLD-SIKLNZKXSA-N 1 3 359.558 2.771 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480227080 514889788 /nfs/dbraw/zinc/88/97/88/514889788.db2.gz MTSBXIQNPYYHLD-SIKLNZKXSA-N 1 3 359.558 2.771 20 0 FFADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC[C@H]1CCCO1 ZINC000467142009 514916907 /nfs/dbraw/zinc/91/69/07/514916907.db2.gz MGJIMLFLFACASV-WIYYLYMNSA-N 1 3 373.541 2.657 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000462177393 514924667 /nfs/dbraw/zinc/92/46/67/514924667.db2.gz RMKIWQFJVDUKCV-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000462177393 514924675 /nfs/dbraw/zinc/92/46/75/514924675.db2.gz RMKIWQFJVDUKCV-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(Cc2ccccc2-c2ccnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000508880804 514935677 /nfs/dbraw/zinc/93/56/77/514935677.db2.gz XBGXLURHJNYPBE-GHTZIAJQSA-N 1 3 367.541 2.545 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000462218260 514946585 /nfs/dbraw/zinc/94/65/85/514946585.db2.gz GNLDNLBYZKQDIN-ZHALLVOQSA-N 1 3 360.546 2.782 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000462221768 514948726 /nfs/dbraw/zinc/94/87/26/514948726.db2.gz DFSOULSLVLYXSM-SBHAEUEKSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN1CCCC1 ZINC000489854957 515001011 /nfs/dbraw/zinc/00/10/11/515001011.db2.gz HVEGRCDCBSIRIL-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN1CCCC1 ZINC000489854957 515001021 /nfs/dbraw/zinc/00/10/21/515001021.db2.gz HVEGRCDCBSIRIL-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498646241 515008467 /nfs/dbraw/zinc/00/84/67/515008467.db2.gz YKMJFNFPJVMSEN-YJBOKZPZSA-N 1 3 371.447 2.897 20 0 FFADHO CCNC(=O)c1ccc(C[NH2+][C@H]2CCN(CCCOCC)C[C@H]2C)cc1 ZINC000480604310 515017374 /nfs/dbraw/zinc/01/73/74/515017374.db2.gz FWOZLVOZIFMMGS-XLIONFOSSA-N 1 3 361.530 2.663 20 0 FFADHO NC(=O)c1ccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471840349 515028158 /nfs/dbraw/zinc/02/81/58/515028158.db2.gz RWWONLOPBKLFEY-RTWAWAEBSA-N 1 3 351.494 2.958 20 0 FFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000471840349 515028170 /nfs/dbraw/zinc/02/81/70/515028170.db2.gz RWWONLOPBKLFEY-RTWAWAEBSA-N 1 3 351.494 2.958 20 0 FFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000471840349 515028181 /nfs/dbraw/zinc/02/81/81/515028181.db2.gz RWWONLOPBKLFEY-RTWAWAEBSA-N 1 3 351.494 2.958 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000489939652 515040585 /nfs/dbraw/zinc/04/05/85/515040585.db2.gz ROMTWKQSKNXECE-IOMROCGXSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000489939652 515040592 /nfs/dbraw/zinc/04/05/92/515040592.db2.gz ROMTWKQSKNXECE-IOMROCGXSA-N 1 3 370.541 2.948 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000458729750 515049779 /nfs/dbraw/zinc/04/97/79/515049779.db2.gz JJJNDIXYRVLCKR-OALUTQOASA-N 1 3 350.551 2.908 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000458729750 515049785 /nfs/dbraw/zinc/04/97/85/515049785.db2.gz JJJNDIXYRVLCKR-OALUTQOASA-N 1 3 350.551 2.908 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000462517461 515102331 /nfs/dbraw/zinc/10/23/31/515102331.db2.gz PQKBDOAWXXSQHL-WSTZPKSXSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000462517461 515102344 /nfs/dbraw/zinc/10/23/44/515102344.db2.gz PQKBDOAWXXSQHL-WSTZPKSXSA-N 1 3 358.530 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000490165822 515127353 /nfs/dbraw/zinc/12/73/53/515127353.db2.gz QURVKHCBUKDBLL-IRLDBZIGSA-N 1 3 370.541 2.634 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000490165822 515127361 /nfs/dbraw/zinc/12/73/61/515127361.db2.gz QURVKHCBUKDBLL-IRLDBZIGSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C[NH+]1CCCC1 ZINC000480971968 515157491 /nfs/dbraw/zinc/15/74/91/515157491.db2.gz PTAZMSKJYRFUQU-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO CCC(CC)[C@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCCC1 ZINC000481025242 515175921 /nfs/dbraw/zinc/17/59/21/515175921.db2.gz PCQZCJIGDAQAJK-HKUYNNGSSA-N 1 3 370.607 2.624 20 0 FFADHO C[C@H]1C[C@@H](CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCO1 ZINC000490397885 515197025 /nfs/dbraw/zinc/19/70/25/515197025.db2.gz FUIJAQJJPPQKPJ-OALUTQOASA-N 1 3 361.530 2.564 20 0 FFADHO COC[C@H](O)CN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462801355 515251498 /nfs/dbraw/zinc/25/14/98/515251498.db2.gz GNMXDIUKCSAMTO-UXHICEINSA-N 1 3 352.494 2.976 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504295508 515265146 /nfs/dbraw/zinc/26/51/46/515265146.db2.gz KITDRKHHTZTVEQ-YESZJQIVSA-N 1 3 362.543 2.811 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504295508 515265153 /nfs/dbraw/zinc/26/51/53/515265153.db2.gz KITDRKHHTZTVEQ-YESZJQIVSA-N 1 3 362.543 2.811 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509655916 515277051 /nfs/dbraw/zinc/27/70/51/515277051.db2.gz WXBDSSSQIIEILJ-NRFANRHFSA-N 1 3 358.574 2.862 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccnc4)CCCC3)CC2)CC1 ZINC000486037570 515307339 /nfs/dbraw/zinc/30/73/39/515307339.db2.gz FPSLJBAWNLGKST-UHFFFAOYSA-N 1 3 370.541 2.568 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)C1 ZINC000490831912 515314531 /nfs/dbraw/zinc/31/45/31/515314531.db2.gz XGWQEHCXXLVPJC-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)C1 ZINC000490831912 515314539 /nfs/dbraw/zinc/31/45/39/515314539.db2.gz XGWQEHCXXLVPJC-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000472566742 515315402 /nfs/dbraw/zinc/31/54/02/515315402.db2.gz RSBPCEPRCNCRSV-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000472566742 515315411 /nfs/dbraw/zinc/31/54/11/515315411.db2.gz RSBPCEPRCNCRSV-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000486066124 515319781 /nfs/dbraw/zinc/31/97/81/515319781.db2.gz UQHPIISQIXOOQF-PBHICJAKSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000486066124 515319788 /nfs/dbraw/zinc/31/97/88/515319788.db2.gz UQHPIISQIXOOQF-PBHICJAKSA-N 1 3 371.447 2.793 20 0 FFADHO CN(C)CCOc1ccccc1N1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472578222 515320229 /nfs/dbraw/zinc/32/02/29/515320229.db2.gz DPQSCNJLIMZHGV-HXUWFJFHSA-N 1 3 374.573 2.623 20 0 FFADHO CN(C)CCOc1ccccc1N1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472578222 515320239 /nfs/dbraw/zinc/32/02/39/515320239.db2.gz DPQSCNJLIMZHGV-HXUWFJFHSA-N 1 3 374.573 2.623 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000459110706 515328537 /nfs/dbraw/zinc/32/85/37/515328537.db2.gz QMJNNZGRIZBOJL-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(C)c(C)c1 ZINC000499511135 515352036 /nfs/dbraw/zinc/35/20/36/515352036.db2.gz YVLVRUUVLIJWMV-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(C)c(C)c1 ZINC000499511135 515352042 /nfs/dbraw/zinc/35/20/42/515352042.db2.gz YVLVRUUVLIJWMV-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000491012721 515356208 /nfs/dbraw/zinc/35/62/08/515356208.db2.gz YKNYRARFEDQPEB-REWPJTCUSA-N 1 3 370.585 2.657 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000463147261 515381301 /nfs/dbraw/zinc/38/13/01/515381301.db2.gz PYCQEZBPTPKUTO-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504901894 515406213 /nfs/dbraw/zinc/40/62/13/515406213.db2.gz ILZBTPKXSNUDRM-AQNXPRMDSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504901894 515406223 /nfs/dbraw/zinc/40/62/23/515406223.db2.gz ILZBTPKXSNUDRM-AQNXPRMDSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1C[C@@H](NC[C@](C)(O)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463284255 515428611 /nfs/dbraw/zinc/42/86/11/515428611.db2.gz PGFQJKLIDHDXES-MMOPVJDHSA-N 1 3 362.514 2.722 20 0 FFADHO C[C@@H]1C[C@@H](NC[C@](C)(O)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463284255 515428622 /nfs/dbraw/zinc/42/86/22/515428622.db2.gz PGFQJKLIDHDXES-MMOPVJDHSA-N 1 3 362.514 2.722 20 0 FFADHO COCC[N@H+](C)CC[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000468815934 515532154 /nfs/dbraw/zinc/53/21/54/515532154.db2.gz DVWRALTYVXWPCZ-GGPKGHCWSA-N 1 3 361.530 2.685 20 0 FFADHO COCC[N@@H+](C)CC[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000468815934 515532162 /nfs/dbraw/zinc/53/21/62/515532162.db2.gz DVWRALTYVXWPCZ-GGPKGHCWSA-N 1 3 361.530 2.685 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000473202295 515535031 /nfs/dbraw/zinc/53/50/31/515535031.db2.gz AJNPEKNOIRVJQX-IRLDBZIGSA-N 1 3 367.537 2.910 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000473202295 515535038 /nfs/dbraw/zinc/53/50/38/515535038.db2.gz AJNPEKNOIRVJQX-IRLDBZIGSA-N 1 3 367.537 2.910 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473523985 515647513 /nfs/dbraw/zinc/64/75/13/515647513.db2.gz HWIABFHQPDFLPX-YPXDRJKUSA-N 1 3 361.452 2.781 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473523985 515647522 /nfs/dbraw/zinc/64/75/22/515647522.db2.gz HWIABFHQPDFLPX-YPXDRJKUSA-N 1 3 361.452 2.781 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(-n2cccc2)c1 ZINC000505732779 515649159 /nfs/dbraw/zinc/64/91/59/515649159.db2.gz YPSMQPOUHAYHNK-NRFANRHFSA-N 1 3 368.525 2.965 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(-n2cccc2)c1 ZINC000505732779 515649165 /nfs/dbraw/zinc/64/91/65/515649165.db2.gz YPSMQPOUHAYHNK-NRFANRHFSA-N 1 3 368.525 2.965 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1=CCCCC1 ZINC000463974504 515676774 /nfs/dbraw/zinc/67/67/74/515676774.db2.gz VUXPISPQOYUUTO-LJQANCHMSA-N 1 3 350.551 2.934 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1=CCCCC1 ZINC000463974504 515676787 /nfs/dbraw/zinc/67/67/87/515676787.db2.gz VUXPISPQOYUUTO-LJQANCHMSA-N 1 3 350.551 2.934 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000482640965 515747236 /nfs/dbraw/zinc/74/72/36/515747236.db2.gz KGKWQESDVAVDFH-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)C ZINC000482702987 515776333 /nfs/dbraw/zinc/77/63/33/515776333.db2.gz BJSSGLPFARQJGW-ZWOKBUDYSA-N 1 3 358.530 2.770 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)C ZINC000482702987 515776345 /nfs/dbraw/zinc/77/63/45/515776345.db2.gz BJSSGLPFARQJGW-ZWOKBUDYSA-N 1 3 358.530 2.770 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478412071 515812046 /nfs/dbraw/zinc/81/20/46/515812046.db2.gz BTIIBOUKASZGBD-UYAOXDASSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478417629 515815106 /nfs/dbraw/zinc/81/51/06/515815106.db2.gz MWHPCZVKQCDWSG-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO C=Cc1ccc(CCNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000464440144 515827058 /nfs/dbraw/zinc/82/70/58/515827058.db2.gz WEDFOBRBZKFXPQ-NRFANRHFSA-N 1 3 372.557 2.930 20 0 FFADHO C=Cc1ccc(CCNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000464440144 515827064 /nfs/dbraw/zinc/82/70/64/515827064.db2.gz WEDFOBRBZKFXPQ-NRFANRHFSA-N 1 3 372.557 2.930 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000511227425 515834489 /nfs/dbraw/zinc/83/44/89/515834489.db2.gz BZALMNYLNICAIM-KRWDZBQOSA-N 1 3 350.551 2.694 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)ccn1 ZINC000474018828 515843548 /nfs/dbraw/zinc/84/35/48/515843548.db2.gz ALISNGQPGQPQEB-CEMLEFRQSA-N 1 3 372.557 2.779 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000474032427 515849807 /nfs/dbraw/zinc/84/98/07/515849807.db2.gz JTLDWTDXUQQMRA-QIYLELGZSA-N 1 3 372.557 2.925 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000474032427 515849816 /nfs/dbraw/zinc/84/98/16/515849816.db2.gz JTLDWTDXUQQMRA-QIYLELGZSA-N 1 3 372.557 2.925 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccco1 ZINC000494589092 515892278 /nfs/dbraw/zinc/89/22/78/515892278.db2.gz ZTKFZVZJNKLZIW-WBVHZDCISA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[N@H+](C)C1CC1 ZINC000511446607 515908741 /nfs/dbraw/zinc/90/87/41/515908741.db2.gz PZDDMPBGCXSHCR-MAUKXSAKSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[N@@H+](C)C1CC1 ZINC000511446607 515908747 /nfs/dbraw/zinc/90/87/47/515908747.db2.gz PZDDMPBGCXSHCR-MAUKXSAKSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@@H]1CCC[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000483144247 515949591 /nfs/dbraw/zinc/94/95/91/515949591.db2.gz BMMKTQFJIXYWEC-SQNIBIBYSA-N 1 3 364.578 2.917 20 0 FFADHO C[C@@H]1CCC[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000483144244 515950712 /nfs/dbraw/zinc/95/07/12/515950712.db2.gz BMMKTQFJIXYWEC-FGTMMUONSA-N 1 3 364.578 2.917 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000501047277 515952366 /nfs/dbraw/zinc/95/23/66/515952366.db2.gz OGPILLPMDAOQPF-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000501047277 515952372 /nfs/dbraw/zinc/95/23/72/515952372.db2.gz OGPILLPMDAOQPF-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO Cc1ccncc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000487789346 515978367 /nfs/dbraw/zinc/97/83/67/515978367.db2.gz ITYVTJYEVYAXMO-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H](C)[NH+](CC)CC)N1CCc2ccccc2C1 ZINC000501221478 516020720 /nfs/dbraw/zinc/02/07/20/516020720.db2.gz KQGXCBPMGRBFBC-XLIONFOSSA-N 1 3 360.546 2.853 20 0 FFADHO COCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCC[C@@H]1C ZINC000487949619 516046472 /nfs/dbraw/zinc/04/64/72/516046472.db2.gz GEYQKGNWGBIORN-YSIASYRMSA-N 1 3 361.530 2.543 20 0 FFADHO COCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCC[C@@H]1C ZINC000487949619 516046482 /nfs/dbraw/zinc/04/64/82/516046482.db2.gz GEYQKGNWGBIORN-YSIASYRMSA-N 1 3 361.530 2.543 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]CCCCN2CCN(CC)CC2)CC1 ZINC000474462202 516056055 /nfs/dbraw/zinc/05/60/55/516056055.db2.gz RUKHHLPKJSUSPN-UHFFFAOYSA-N 1 3 353.551 2.506 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000483393952 516065113 /nfs/dbraw/zinc/06/51/13/516065113.db2.gz IOEFCIZFUZIPOK-QZTJIDSGSA-N 1 3 355.592 2.927 20 0 FFADHO CC[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)N1CCc2ccccc2C1 ZINC000501352461 516071932 /nfs/dbraw/zinc/07/19/32/516071932.db2.gz SXDMYXKGMSNVBS-OAQYLSRUSA-N 1 3 372.557 2.807 20 0 FFADHO NC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000479208002 516109805 /nfs/dbraw/zinc/10/98/05/516109805.db2.gz UCKFEGJAODBXFC-YLJYHZDGSA-N 1 3 361.505 2.983 20 0 FFADHO Cc1ccc(CCC[NH2+]CCCN2CCN(c3ccncc3)CC2)cn1 ZINC000474629988 516129288 /nfs/dbraw/zinc/12/92/88/516129288.db2.gz ZFWPQSFUUGLNEM-UHFFFAOYSA-N 1 3 353.514 2.520 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000465401733 516143168 /nfs/dbraw/zinc/14/31/68/516143168.db2.gz IMEXGJYMOYBJJU-FQEVSTJZSA-N 1 3 360.546 2.738 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000465401733 516143175 /nfs/dbraw/zinc/14/31/75/516143175.db2.gz IMEXGJYMOYBJJU-FQEVSTJZSA-N 1 3 360.546 2.738 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000501545556 516147816 /nfs/dbraw/zinc/14/78/16/516147816.db2.gz JTTFIBJUJMIJCG-HXUWFJFHSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501547116 516149180 /nfs/dbraw/zinc/14/91/80/516149180.db2.gz RSAWDRWZVALXFG-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501547116 516149193 /nfs/dbraw/zinc/14/91/93/516149193.db2.gz RSAWDRWZVALXFG-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000457792854 516150669 /nfs/dbraw/zinc/15/06/69/516150669.db2.gz BZWDRYRWSVCVBZ-FQEVSTJZSA-N 1 3 372.557 2.947 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000457792854 516150675 /nfs/dbraw/zinc/15/06/75/516150675.db2.gz BZWDRYRWSVCVBZ-FQEVSTJZSA-N 1 3 372.557 2.947 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501554907 516152838 /nfs/dbraw/zinc/15/28/38/516152838.db2.gz UJDUOAMUGRTHDR-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501554907 516152844 /nfs/dbraw/zinc/15/28/44/516152844.db2.gz UJDUOAMUGRTHDR-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000479344932 516158061 /nfs/dbraw/zinc/15/80/61/516158061.db2.gz JGTVVRPMDPKFSA-MDZRGWNJSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC000479344932 516158067 /nfs/dbraw/zinc/15/80/67/516158067.db2.gz JGTVVRPMDPKFSA-MDZRGWNJSA-N 1 3 364.509 2.991 20 0 FFADHO O[C@@H](C[NH2+][C@H]1CCCc2cc(Br)ccc21)CN1CCCC1 ZINC000479361938 516165678 /nfs/dbraw/zinc/16/56/78/516165678.db2.gz QSILSHCURJSMCX-RDJZCZTQSA-N 1 3 353.304 2.873 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000479398445 516179571 /nfs/dbraw/zinc/17/95/71/516179571.db2.gz XOLYPXGREMYHPI-SJORKVTESA-N 1 3 350.507 2.740 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)s1 ZINC000465556914 516194084 /nfs/dbraw/zinc/19/40/84/516194084.db2.gz WAXXUQQRGDXDJB-INIZCTEOSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)s1 ZINC000465556914 516194093 /nfs/dbraw/zinc/19/40/93/516194093.db2.gz WAXXUQQRGDXDJB-INIZCTEOSA-N 1 3 352.548 2.614 20 0 FFADHO CCC[C@]1(NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCOC1 ZINC000512238276 516208036 /nfs/dbraw/zinc/20/80/36/516208036.db2.gz ZQJFVQFIWZPVRV-QFIPXVFZSA-N 1 3 373.541 2.624 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C ZINC000483790207 516212732 /nfs/dbraw/zinc/21/27/32/516212732.db2.gz HZMZRFJXNRVLTN-XLIONFOSSA-N 1 3 372.557 2.600 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C ZINC000483790207 516212740 /nfs/dbraw/zinc/21/27/40/516212740.db2.gz HZMZRFJXNRVLTN-XLIONFOSSA-N 1 3 372.557 2.600 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000501777187 516222174 /nfs/dbraw/zinc/22/21/74/516222174.db2.gz OZIFBCRKBZUQQV-ROUUACIJSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000488432320 516224026 /nfs/dbraw/zinc/22/40/26/516224026.db2.gz SNWHHRFIJXVLNC-QFBILLFUSA-N 1 3 364.534 2.716 20 0 FFADHO O=C(CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC000512286624 516225089 /nfs/dbraw/zinc/22/50/89/516225089.db2.gz POWLBXWDWUZKGX-QFIPXVFZSA-N 1 3 355.526 2.987 20 0 FFADHO O=C(CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC000512286624 516225095 /nfs/dbraw/zinc/22/50/95/516225095.db2.gz POWLBXWDWUZKGX-QFIPXVFZSA-N 1 3 355.526 2.987 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000465761778 516250377 /nfs/dbraw/zinc/25/03/77/516250377.db2.gz SFGCAFUSIROZTP-YSIASYRMSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)C[NH+]1CCCCC1 ZINC000457951771 516251272 /nfs/dbraw/zinc/25/12/72/516251272.db2.gz WCMZAQLBFAZEOE-KRWDZBQOSA-N 1 3 366.575 2.943 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCCN1C ZINC000488538650 516254089 /nfs/dbraw/zinc/25/40/89/516254089.db2.gz SDXOYTXBVSHDSQ-SLYNCCJLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCCN1C ZINC000488538650 516254100 /nfs/dbraw/zinc/25/41/00/516254100.db2.gz SDXOYTXBVSHDSQ-SLYNCCJLSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)N(C)C)cc1 ZINC000488582484 516267671 /nfs/dbraw/zinc/26/76/71/516267671.db2.gz NQENMDPZCBUETR-UKAVVXHISA-N 1 3 372.557 2.969 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)N(C)C)cc1 ZINC000488582484 516267675 /nfs/dbraw/zinc/26/76/75/516267675.db2.gz NQENMDPZCBUETR-UKAVVXHISA-N 1 3 372.557 2.969 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)N(C)C)cc1 ZINC000488582478 516267994 /nfs/dbraw/zinc/26/79/94/516267994.db2.gz NQENMDPZCBUETR-MMKMLUHNSA-N 1 3 372.557 2.969 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)N(C)C)cc1 ZINC000488582478 516268000 /nfs/dbraw/zinc/26/80/00/516268000.db2.gz NQENMDPZCBUETR-MMKMLUHNSA-N 1 3 372.557 2.969 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1c(C)cccc1C ZINC000460914738 516282432 /nfs/dbraw/zinc/28/24/32/516282432.db2.gz QYWXAXHHBOYJFW-LJQANCHMSA-N 1 3 360.546 2.590 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1c(C)cccc1C ZINC000460914738 516282434 /nfs/dbraw/zinc/28/24/34/516282434.db2.gz QYWXAXHHBOYJFW-LJQANCHMSA-N 1 3 360.546 2.590 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000502091872 516302431 /nfs/dbraw/zinc/30/24/31/516302431.db2.gz MBPKURYDBMTJHY-XLIONFOSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000502148778 516310742 /nfs/dbraw/zinc/31/07/42/516310742.db2.gz NWHYBVAJUAVSIL-YXYSEUPNSA-N 1 3 370.541 2.775 20 0 FFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512650421 516318458 /nfs/dbraw/zinc/31/84/58/516318458.db2.gz ZXMSONFAVSRKAZ-HGJUEJDCSA-N 1 3 355.526 2.791 20 0 FFADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000497418172 516321028 /nfs/dbraw/zinc/32/10/28/516321028.db2.gz QFMIZWDUJBQIPQ-GIVPXCGWSA-N 1 3 355.526 2.855 20 0 FFADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000497418172 516321029 /nfs/dbraw/zinc/32/10/29/516321029.db2.gz QFMIZWDUJBQIPQ-GIVPXCGWSA-N 1 3 355.526 2.855 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000522878261 516339038 /nfs/dbraw/zinc/33/90/38/516339038.db2.gz DTFVMDFOBSUJFK-RBUKOAKNSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000522878261 516339045 /nfs/dbraw/zinc/33/90/45/516339045.db2.gz DTFVMDFOBSUJFK-RBUKOAKNSA-N 1 3 361.505 2.884 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CC3(c4ccccc4)CC3)CC2)CC1 ZINC000528318135 516344702 /nfs/dbraw/zinc/34/47/02/516344702.db2.gz WXTCFPFCZNFOSD-UHFFFAOYSA-N 1 3 355.526 2.783 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C[C@@H]1C ZINC000535438414 516357034 /nfs/dbraw/zinc/35/70/34/516357034.db2.gz SWKCBMLRUBPZOZ-FFGOWVMKSA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C[C@@H]1C ZINC000535438414 516357040 /nfs/dbraw/zinc/35/70/40/516357040.db2.gz SWKCBMLRUBPZOZ-FFGOWVMKSA-N 1 3 358.530 2.946 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[NH+]3CCC2CC3)N(C)C)cc1 ZINC000512801769 516363977 /nfs/dbraw/zinc/36/39/77/516363977.db2.gz IAOJPTHTNNXECA-FQEVSTJZSA-N 1 3 374.529 2.566 20 0 FFADHO O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)CC1(O)CCC1 ZINC000528407644 516414969 /nfs/dbraw/zinc/41/49/69/516414969.db2.gz RQLYIKSEJQPVNY-QHAWAJNXSA-N 1 3 358.526 2.639 20 0 FFADHO O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)CC1(O)CCC1 ZINC000528407644 516414975 /nfs/dbraw/zinc/41/49/75/516414975.db2.gz RQLYIKSEJQPVNY-QHAWAJNXSA-N 1 3 358.526 2.639 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCN(CC3(O)CCC(c4ccccc4)CC3)CC2)C1 ZINC000528415916 516420850 /nfs/dbraw/zinc/42/08/50/516420850.db2.gz JEUNMJSYPQUPOA-KOENEWCDSA-N 1 3 371.569 2.787 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCN(CC3(O)CCC(c4ccccc4)CC3)CC2)C1 ZINC000528415916 516420856 /nfs/dbraw/zinc/42/08/56/516420856.db2.gz JEUNMJSYPQUPOA-KOENEWCDSA-N 1 3 371.569 2.787 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000531357563 516426026 /nfs/dbraw/zinc/42/60/26/516426026.db2.gz BMDOJRSEQQFNRE-UHFFFAOYSA-N 1 3 357.498 2.831 20 0 FFADHO CC(C)(CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCCCC1 ZINC000523302809 516429434 /nfs/dbraw/zinc/42/94/34/516429434.db2.gz OHJOZPNMQAXJFO-LJQANCHMSA-N 1 3 358.530 2.674 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000561179335 516431233 /nfs/dbraw/zinc/43/12/33/516431233.db2.gz XVSWYCFQOVFDEG-HOCLYGCPSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000517737919 516431923 /nfs/dbraw/zinc/43/19/23/516431923.db2.gz OHWJSVBMLHAWSY-KZNAEPCWSA-N 1 3 350.551 2.623 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000561198645 516445424 /nfs/dbraw/zinc/44/54/24/516445424.db2.gz BUBMGAHUFLFRTL-IEBWSBKVSA-N 1 3 358.530 2.586 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000561198886 516446046 /nfs/dbraw/zinc/44/60/46/516446046.db2.gz ZQNKZWAAKIBRAV-KNQAVFIVSA-N 1 3 372.557 2.976 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535700343 516455887 /nfs/dbraw/zinc/45/58/87/516455887.db2.gz NEVYJGDFVVILSJ-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535700343 516455896 /nfs/dbraw/zinc/45/58/96/516455896.db2.gz NEVYJGDFVVILSJ-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531429617 516462154 /nfs/dbraw/zinc/46/21/54/516462154.db2.gz JGNKNPCULFKYHZ-BEFAXECRSA-N 1 3 364.509 2.584 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000550885003 516467514 /nfs/dbraw/zinc/46/75/14/516467514.db2.gz AXIHOOCLCMOZQX-UKRRQHHQSA-N 1 3 372.351 2.955 20 0 FFADHO CC(C)[NH+]1CCC(Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1 ZINC000543864662 516467921 /nfs/dbraw/zinc/46/79/21/516467921.db2.gz LKQKRVHYYAJVLC-UHFFFAOYSA-N 1 3 371.529 2.722 20 0 FFADHO Oc1cccc2c1CCC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000550887522 516469071 /nfs/dbraw/zinc/46/90/71/516469071.db2.gz XMRQJCDWUMRIMQ-NRFANRHFSA-N 1 3 366.509 2.967 20 0 FFADHO CCc1[nH+]c2ccccc2c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1C ZINC000554518307 516482301 /nfs/dbraw/zinc/48/23/01/516482301.db2.gz AXZPDFMEZCMGJP-FQEVSTJZSA-N 1 3 366.509 2.848 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)NC2CCN(C)CC2)CC1)CC(C)C ZINC000540279156 516498215 /nfs/dbraw/zinc/49/82/15/516498215.db2.gz BMMXLVDDCCFKBF-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)NC2CCN(C)CC2)CC1)CC(C)C ZINC000540279156 516498223 /nfs/dbraw/zinc/49/82/23/516498223.db2.gz BMMXLVDDCCFKBF-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4cc[nH]c43)CC2)CC1 ZINC000547752368 516541257 /nfs/dbraw/zinc/54/12/57/516541257.db2.gz SRXKMNQJHPWKLJ-UHFFFAOYSA-N 1 3 355.486 2.848 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)CCN(C)c3cc[nH+]cc3)c2)CC1 ZINC000547782081 516559776 /nfs/dbraw/zinc/55/97/76/516559776.db2.gz RVKCHLMIAGJERX-UHFFFAOYSA-N 1 3 367.497 2.689 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)N(C)C)cc1 ZINC000535940776 516565146 /nfs/dbraw/zinc/56/51/46/516565146.db2.gz OYTJQJRXTQXZMA-LEWJYISDSA-N 1 3 372.557 2.971 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000536016032 516595485 /nfs/dbraw/zinc/59/54/85/516595485.db2.gz AMPHLMXZMVUGQT-WOJBJXKFSA-N 1 3 360.546 2.579 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000513382686 516597882 /nfs/dbraw/zinc/59/78/82/516597882.db2.gz LLRKQBPGNTWXSQ-FQEVSTJZSA-N 1 3 361.530 2.711 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000536162014 516659006 /nfs/dbraw/zinc/65/90/06/516659006.db2.gz XWDMZQVHIKGVIM-JYBIWHBTSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000536162014 516659015 /nfs/dbraw/zinc/65/90/15/516659015.db2.gz XWDMZQVHIKGVIM-JYBIWHBTSA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000518628918 516729354 /nfs/dbraw/zinc/72/93/54/516729354.db2.gz UFLKTRKCBQPCTH-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000540926252 516776227 /nfs/dbraw/zinc/77/62/27/516776227.db2.gz DSNYNQSJCYXKDM-PKOBYXMFSA-N 1 3 352.482 2.860 20 0 FFADHO CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1CCCCC1 ZINC000524695764 516791224 /nfs/dbraw/zinc/79/12/24/516791224.db2.gz ZUUHOXSMUUCFMH-LJQANCHMSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@H+](C)Cc1ccccc1)N1CCC(C)CC1 ZINC000514034746 516838359 /nfs/dbraw/zinc/83/83/59/516838359.db2.gz OARMIEXITMZYFU-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)N1CCC(C)CC1 ZINC000514034746 516838372 /nfs/dbraw/zinc/83/83/72/516838372.db2.gz OARMIEXITMZYFU-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000514046424 516840069 /nfs/dbraw/zinc/84/00/69/516840069.db2.gz RPARNXHGAGLTQV-FPOVZHCZSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000514046424 516840079 /nfs/dbraw/zinc/84/00/79/516840079.db2.gz RPARNXHGAGLTQV-FPOVZHCZSA-N 1 3 370.541 2.825 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000524878199 516856174 /nfs/dbraw/zinc/85/61/74/516856174.db2.gz XIEOQOGTESLYAC-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000524878199 516856183 /nfs/dbraw/zinc/85/61/83/516856183.db2.gz XIEOQOGTESLYAC-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000514143941 516878900 /nfs/dbraw/zinc/87/89/00/516878900.db2.gz AWNPCKQVIRJYRT-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO COc1cc(Br)ccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000514239327 516921002 /nfs/dbraw/zinc/92/10/02/516921002.db2.gz YNEAJXZVTFJPJK-UHFFFAOYSA-N 1 3 371.319 2.783 20 0 FFADHO CCOC(=O)C1CCC([N@H+](CC)CCCN2CCN(C(C)C)CC2)CC1 ZINC000558748878 516926452 /nfs/dbraw/zinc/92/64/52/516926452.db2.gz SHUWUDFVYNFSHY-UHFFFAOYSA-N 1 3 367.578 2.846 20 0 FFADHO CCOC(=O)C1CCC([N@@H+](CC)CCCN2CCN(C(C)C)CC2)CC1 ZINC000558748878 516926464 /nfs/dbraw/zinc/92/64/64/516926464.db2.gz SHUWUDFVYNFSHY-UHFFFAOYSA-N 1 3 367.578 2.846 20 0 FFADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000536815651 516944294 /nfs/dbraw/zinc/94/42/94/516944294.db2.gz OZJMZXIUKQUONW-INIZCTEOSA-N 1 3 353.938 2.861 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000519502238 517016832 /nfs/dbraw/zinc/01/68/32/517016832.db2.gz HUGJLXWKEJPNNJ-UHFFFAOYSA-N 1 3 366.937 2.899 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529289195 517053158 /nfs/dbraw/zinc/05/31/58/517053158.db2.gz LXEZUNZKTDSYFI-IBGZPJMESA-N 1 3 356.514 2.543 20 0 FFADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000552064532 517059311 /nfs/dbraw/zinc/05/93/11/517059311.db2.gz XHIMVSXGPIRJLY-VQTJNVASSA-N 1 3 372.557 2.998 20 0 FFADHO CC1=CC[N@H+](CCNC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000545152762 517073566 /nfs/dbraw/zinc/07/35/66/517073566.db2.gz RZEODEWZPKZHFP-GOSISDBHSA-N 1 3 364.921 2.894 20 0 FFADHO CC1=CC[N@@H+](CCNC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000545152762 517073578 /nfs/dbraw/zinc/07/35/78/517073578.db2.gz RZEODEWZPKZHFP-GOSISDBHSA-N 1 3 364.921 2.894 20 0 FFADHO COc1cncc(/C=C\CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000514858666 517095660 /nfs/dbraw/zinc/09/56/60/517095660.db2.gz CJEHAADNDUPXQY-CUHMQGEXSA-N 1 3 370.541 2.736 20 0 FFADHO COc1cncc(/C=C\CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000514858666 517095666 /nfs/dbraw/zinc/09/56/66/517095666.db2.gz CJEHAADNDUPXQY-CUHMQGEXSA-N 1 3 370.541 2.736 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000525677620 517109896 /nfs/dbraw/zinc/10/98/96/517109896.db2.gz BVVHZQHKQSLNCS-FQEVSTJZSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@@H]1[NH2+]CCN(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@H]1C ZINC000529390231 517120943 /nfs/dbraw/zinc/12/09/43/517120943.db2.gz XWNUTWJZGSADNK-MQIPJXDCSA-N 1 3 373.328 2.988 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2C1 ZINC000519698466 517132941 /nfs/dbraw/zinc/13/29/41/517132941.db2.gz CQFYKISINJHKBT-IEBWSBKVSA-N 1 3 364.493 2.748 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000541732451 517193359 /nfs/dbraw/zinc/19/33/59/517193359.db2.gz CAWSKIIVGMGGCZ-HXUWFJFHSA-N 1 3 365.949 2.697 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)c(OC)c3)CC2)CC1 ZINC000515070682 517199948 /nfs/dbraw/zinc/19/99/48/517199948.db2.gz IRVMZPOZXZBIIC-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552411650 517246653 /nfs/dbraw/zinc/24/66/53/517246653.db2.gz MFIVLBRPKNNDEQ-KRWDZBQOSA-N 1 3 353.457 2.554 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541856262 517251999 /nfs/dbraw/zinc/25/19/99/517251999.db2.gz CAKUKOZOTQTRFJ-QGZVFWFLSA-N 1 3 367.497 2.645 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000533293084 517386643 /nfs/dbraw/zinc/38/66/43/517386643.db2.gz LOMCTPJMYUQIIF-RBUKOAKNSA-N 1 3 365.562 2.645 20 0 FFADHO COC(C)(C)CN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000533344841 517415446 /nfs/dbraw/zinc/41/54/46/517415446.db2.gz SOTYUECDPVCYJV-QGZVFWFLSA-N 1 3 361.530 2.513 20 0 FFADHO Cc1cnc(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cn1 ZINC000556434641 517426586 /nfs/dbraw/zinc/42/65/86/517426586.db2.gz JBNFBMWLEQQXOE-LJQANCHMSA-N 1 3 352.482 2.905 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000562818526 517430884 /nfs/dbraw/zinc/43/08/84/517430884.db2.gz LGXHTSINIYOJDQ-QGZVFWFLSA-N 1 3 358.530 2.810 20 0 FFADHO c1ccc(CN2CC[C@H](C[NH2+]Cc3cnc(N4CCCC4)nc3)C2)cc1 ZINC000526994420 517437223 /nfs/dbraw/zinc/43/72/23/517437223.db2.gz DMRZQSDZNOFPBW-LJQANCHMSA-N 1 3 351.498 2.689 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2ccccc2c1 ZINC000515809134 517482159 /nfs/dbraw/zinc/48/21/59/517482159.db2.gz HYJAZHMKBBHXTR-AABGKKOBSA-N 1 3 352.482 2.766 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2ccccc2c1 ZINC000515809134 517482167 /nfs/dbraw/zinc/48/21/67/517482167.db2.gz HYJAZHMKBBHXTR-AABGKKOBSA-N 1 3 352.482 2.766 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(F)(F)C[C@@H]3C)CC2)CC1 ZINC000530010809 517496628 /nfs/dbraw/zinc/49/66/28/517496628.db2.gz RZICMFUHZCPCDE-HNNXBMFYSA-N 1 3 357.489 2.829 20 0 FFADHO NC(=O)C1CCN(Cc2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000516046035 517547620 /nfs/dbraw/zinc/54/76/20/517547620.db2.gz JOAPWCPVJKNMHQ-QHAWAJNXSA-N 1 3 370.541 2.717 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000553169827 517554261 /nfs/dbraw/zinc/55/42/61/517554261.db2.gz FIJUWELNYNONLQ-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000553169827 517554268 /nfs/dbraw/zinc/55/42/68/517554268.db2.gz FIJUWELNYNONLQ-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)CC1 ZINC000553169199 517554768 /nfs/dbraw/zinc/55/47/68/517554768.db2.gz PWUCAJPGFJALMZ-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546120614 517554901 /nfs/dbraw/zinc/55/49/01/517554901.db2.gz IVMFXZXQSXWNJL-IBGZPJMESA-N 1 3 360.546 2.581 20 0 FFADHO C[NH+](C)CCc1ccc(CNC[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000563002586 517572812 /nfs/dbraw/zinc/57/28/12/517572812.db2.gz HGVPSIDBBLETMB-LJQANCHMSA-N 1 3 362.901 2.974 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[N@@H+]1CCCC[C@H]1C ZINC000516158605 517591240 /nfs/dbraw/zinc/59/12/40/517591240.db2.gz IAYMAEQXOPXCJL-WSTZPKSXSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[N@H+]1CCCC[C@H]1C ZINC000516158605 517591253 /nfs/dbraw/zinc/59/12/53/517591253.db2.gz IAYMAEQXOPXCJL-WSTZPKSXSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000563091096 517652090 /nfs/dbraw/zinc/65/20/90/517652090.db2.gz UKYWIPCZNISJNU-HNNXBMFYSA-N 1 3 367.484 2.881 20 0 FFADHO COc1cccc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530249033 517654147 /nfs/dbraw/zinc/65/41/47/517654147.db2.gz SRRVJITXQYHXGO-FQEVSTJZSA-N 1 3 370.497 2.676 20 0 FFADHO CCCN1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C)C3)c(OCC)c2)CC1 ZINC000560399688 517768967 /nfs/dbraw/zinc/76/89/67/517768967.db2.gz QNTVNWOVKKJHQN-KRWDZBQOSA-N 1 3 374.529 2.508 20 0 FFADHO CCCN1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)c(OCC)c2)CC1 ZINC000560399688 517768974 /nfs/dbraw/zinc/76/89/74/517768974.db2.gz QNTVNWOVKKJHQN-KRWDZBQOSA-N 1 3 374.529 2.508 20 0 FFADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1 ZINC000521585704 517784703 /nfs/dbraw/zinc/78/47/03/517784703.db2.gz UXRKHOHAAIMCHT-MJGOQNOKSA-N 1 3 353.551 2.504 20 0 FFADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1 ZINC000521585703 517785809 /nfs/dbraw/zinc/78/58/09/517785809.db2.gz UXRKHOHAAIMCHT-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000542891440 517801457 /nfs/dbraw/zinc/80/14/57/517801457.db2.gz FIAZIUHKZIKADK-XUVXKRRUSA-N 1 3 367.578 2.702 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000542891440 517801465 /nfs/dbraw/zinc/80/14/65/517801465.db2.gz FIAZIUHKZIKADK-XUVXKRRUSA-N 1 3 367.578 2.702 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000516682550 517806884 /nfs/dbraw/zinc/80/68/84/517806884.db2.gz VHXGSMYLBHBZTA-WSTZPKSXSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000516682550 517806889 /nfs/dbraw/zinc/80/68/89/517806889.db2.gz VHXGSMYLBHBZTA-WSTZPKSXSA-N 1 3 360.546 2.579 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC000527654017 517822625 /nfs/dbraw/zinc/82/26/25/517822625.db2.gz PABFLXPBNXETJR-UHFFFAOYSA-N 1 3 350.466 2.749 20 0 FFADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1CN1CCCCC1 ZINC000563376203 517860120 /nfs/dbraw/zinc/86/01/20/517860120.db2.gz KDPKVEMBSPVTIR-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1CN1CCCCC1 ZINC000563376203 517860130 /nfs/dbraw/zinc/86/01/30/517860130.db2.gz KDPKVEMBSPVTIR-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000563376202 517860508 /nfs/dbraw/zinc/86/05/08/517860508.db2.gz KDPKVEMBSPVTIR-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000563376202 517860522 /nfs/dbraw/zinc/86/05/22/517860522.db2.gz KDPKVEMBSPVTIR-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@H](NC(=O)NCc1ccccc1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000557137740 517875197 /nfs/dbraw/zinc/87/51/97/517875197.db2.gz FCUSMAXHDNGNMO-ZWKOTPCHSA-N 1 3 358.530 2.860 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000534444416 517898316 /nfs/dbraw/zinc/89/83/16/517898316.db2.gz VPXSWXYPXMJHLQ-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000560572862 517902447 /nfs/dbraw/zinc/90/24/47/517902447.db2.gz DTTNWVFRAFKKCN-UHFFFAOYSA-N 1 3 371.529 2.899 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CN1C1CC1 ZINC000557189556 517907178 /nfs/dbraw/zinc/90/71/78/517907178.db2.gz MHKKXLPKEUZFPA-WNYOCNMUSA-N 1 3 352.482 2.764 20 0 FFADHO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)n(C2CCN(C)CC2)n1 ZINC000530711598 517935222 /nfs/dbraw/zinc/93/52/22/517935222.db2.gz QDYDQPQLGPPGMO-GOSISDBHSA-N 1 3 374.533 2.550 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553862841 517939043 /nfs/dbraw/zinc/93/90/43/517939043.db2.gz KMPBCFLIKVTZDF-UYAOXDASSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@H+](C2CCC2)C1 ZINC000553862841 517939050 /nfs/dbraw/zinc/93/90/50/517939050.db2.gz KMPBCFLIKVTZDF-UYAOXDASSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000553926558 517973387 /nfs/dbraw/zinc/97/33/87/517973387.db2.gz QPNCQNWQCWJEPZ-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO O[C@]1(CNCc2cc(-n3ccnc3)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000543251149 517989868 /nfs/dbraw/zinc/98/98/68/517989868.db2.gz XMVZSURBTHMKEC-FQEVSTJZSA-N 1 3 368.506 2.660 20 0 FFADHO O[C@]1(CNCc2cc(-n3ccnc3)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000543251149 517989876 /nfs/dbraw/zinc/98/98/76/517989876.db2.gz XMVZSURBTHMKEC-FQEVSTJZSA-N 1 3 368.506 2.660 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)[C@@H](C)C1 ZINC000527937311 517999455 /nfs/dbraw/zinc/99/94/55/517999455.db2.gz HODRPPZLVFKEHX-HRCADAONSA-N 1 3 362.440 2.713 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000517091824 518021505 /nfs/dbraw/zinc/02/15/05/518021505.db2.gz XHLOQGYMRXRYIV-MSOLQXFVSA-N 1 3 373.545 2.776 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)[C@@H](C)C1 ZINC000528010004 518038861 /nfs/dbraw/zinc/03/88/61/518038861.db2.gz ZUESXSVNMHCETJ-VDGAXYAQSA-N 1 3 359.514 2.540 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(c4ccccc4)CC3)CC2)CC1 ZINC000517170473 518047959 /nfs/dbraw/zinc/04/79/59/518047959.db2.gz HUCKUFSKNNIOMZ-UHFFFAOYSA-N 1 3 355.526 2.988 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCCCC1 ZINC000543383107 518059869 /nfs/dbraw/zinc/05/98/69/518059869.db2.gz QOBRMWQULXLOBV-AZUAARDMSA-N 1 3 358.530 2.674 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000522601401 518132361 /nfs/dbraw/zinc/13/23/61/518132361.db2.gz FVFDWMKBMTZJRG-RTBURBONSA-N 1 3 360.546 2.927 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000535042876 518134164 /nfs/dbraw/zinc/13/41/64/518134164.db2.gz MBSLXDTWWWXBBV-NRFANRHFSA-N 1 3 372.557 2.874 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000522761227 518160514 /nfs/dbraw/zinc/16/05/14/518160514.db2.gz ISLXXGGMYXYJND-OALUTQOASA-N 1 3 373.541 2.817 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000522761227 518160516 /nfs/dbraw/zinc/16/05/16/518160516.db2.gz ISLXXGGMYXYJND-OALUTQOASA-N 1 3 373.541 2.817 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000535261904 518171204 /nfs/dbraw/zinc/17/12/04/518171204.db2.gz QTUWFPMYJZZQHF-UXHICEINSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000535261904 518171205 /nfs/dbraw/zinc/17/12/05/518171205.db2.gz QTUWFPMYJZZQHF-UXHICEINSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000575372928 518206237 /nfs/dbraw/zinc/20/62/37/518206237.db2.gz HGVJJJLESYLCTK-IAAVTCLWSA-N 1 3 351.922 2.819 20 0 FFADHO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000566785241 518206423 /nfs/dbraw/zinc/20/64/23/518206423.db2.gz IYBDDYPJFHVXKO-HXUWFJFHSA-N 1 3 360.502 2.754 20 0 FFADHO Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)no1 ZINC000572476866 518211097 /nfs/dbraw/zinc/21/10/97/518211097.db2.gz PBLRIXYFSSUWPJ-IBGZPJMESA-N 1 3 370.497 3.204 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000572476866 518211102 /nfs/dbraw/zinc/21/11/02/518211102.db2.gz PBLRIXYFSSUWPJ-IBGZPJMESA-N 1 3 370.497 3.204 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000572476866 518211107 /nfs/dbraw/zinc/21/11/07/518211107.db2.gz PBLRIXYFSSUWPJ-IBGZPJMESA-N 1 3 370.497 3.204 20 0 FFADHO Fc1cccnc1N1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000581304502 518220187 /nfs/dbraw/zinc/22/01/87/518220187.db2.gz HCCPYOZJFQZEBB-XERREHJYSA-N 1 3 368.456 2.645 20 0 FFADHO [NH3+][C@H]1CCc2ncc(NC(=O)c3cccc(CN4CCCC4)c3)cc2C1 ZINC000566858771 518236888 /nfs/dbraw/zinc/23/68/88/518236888.db2.gz ULQQZCXZBZXOCR-SFHVURJKSA-N 1 3 350.466 2.746 20 0 FFADHO O=C(NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1)c1ccsc1 ZINC000563966403 518252682 /nfs/dbraw/zinc/25/26/82/518252682.db2.gz JALCNQRDRZQJPV-UHFFFAOYSA-N 1 3 355.507 2.788 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000566902830 518257017 /nfs/dbraw/zinc/25/70/17/518257017.db2.gz PUCZVWDWPFRCOX-UYAOXDASSA-N 1 3 358.461 2.934 20 0 FFADHO CC(C)C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2cccnc21 ZINC000572612568 518276614 /nfs/dbraw/zinc/27/66/14/518276614.db2.gz GUBBJENRQHDZLW-IEBWSBKVSA-N 1 3 358.530 2.614 20 0 FFADHO CC(C)C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2cccnc21 ZINC000572612568 518276621 /nfs/dbraw/zinc/27/66/21/518276621.db2.gz GUBBJENRQHDZLW-IEBWSBKVSA-N 1 3 358.530 2.614 20 0 FFADHO Cc1ccc(NC(=O)CCNC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000566968895 518290095 /nfs/dbraw/zinc/29/00/95/518290095.db2.gz LGORDSNNSQPLBV-LJQANCHMSA-N 1 3 352.482 2.830 20 0 FFADHO Cc1ccc(NC(=O)CCNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000566968895 518290103 /nfs/dbraw/zinc/29/01/03/518290103.db2.gz LGORDSNNSQPLBV-LJQANCHMSA-N 1 3 352.482 2.830 20 0 FFADHO CC(C)Oc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1 ZINC000567022518 518314580 /nfs/dbraw/zinc/31/45/80/518314580.db2.gz UJRITVYDRJFAMW-UHFFFAOYSA-N 1 3 355.910 2.693 20 0 FFADHO CN(C)C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000572703826 518319714 /nfs/dbraw/zinc/31/97/14/518319714.db2.gz OPCJFBVIUWAFPE-LJQANCHMSA-N 1 3 356.445 2.896 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNCc1cc(-n2ccnc2)cs1 ZINC000578694391 518329112 /nfs/dbraw/zinc/32/91/12/518329112.db2.gz UJEWTFFUXIJOOC-UHFFFAOYSA-N 1 3 371.510 2.949 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)C1 ZINC000578738882 518351822 /nfs/dbraw/zinc/35/18/22/518351822.db2.gz JWNVVLRJFNLAAI-APWZRJJASA-N 1 3 358.461 2.934 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000584523866 518381669 /nfs/dbraw/zinc/38/16/69/518381669.db2.gz DONXICDOAHCPDD-ZTFGCOKTSA-N 1 3 365.905 2.724 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)C1CC1 ZINC000584534812 518387275 /nfs/dbraw/zinc/38/72/75/518387275.db2.gz FQPUQLJPHOMYDV-FQEVSTJZSA-N 1 3 358.530 2.667 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000581657890 518393120 /nfs/dbraw/zinc/39/31/20/518393120.db2.gz VZSKHUUSFRSSIN-HJNYFJLDSA-N 1 3 358.574 2.685 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)N(C)C)cc1 ZINC000578848712 518401592 /nfs/dbraw/zinc/40/15/92/518401592.db2.gz WYLHYOYOYZETFS-TZIWHRDSSA-N 1 3 358.530 2.637 20 0 FFADHO C[N@@H+]1CCCN(CCCN[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000576072475 518414415 /nfs/dbraw/zinc/41/44/15/518414415.db2.gz JYOMCDQEPOPPKF-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO C[N@H+]1CCCN(CCCN[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000576072475 518414420 /nfs/dbraw/zinc/41/44/20/518414420.db2.gz JYOMCDQEPOPPKF-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO CC[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000584718038 518444964 /nfs/dbraw/zinc/44/49/64/518444964.db2.gz LIVVZMWISLTNDE-OAQYLSRUSA-N 1 3 366.509 2.781 20 0 FFADHO CCN(Cc1ccccn1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000584737210 518454571 /nfs/dbraw/zinc/45/45/71/518454571.db2.gz JVURKQQTKVBTIR-UHFFFAOYSA-N 1 3 358.530 2.626 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c2cccs2)CC1 ZINC000567336233 518469710 /nfs/dbraw/zinc/46/97/10/518469710.db2.gz JJPAIQHJUPQYLL-IXDOHACOSA-N 1 3 364.559 2.961 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573070908 518491809 /nfs/dbraw/zinc/49/18/09/518491809.db2.gz CYUUTIUKIKKNHR-ROUUACIJSA-N 1 3 372.513 2.625 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000581933231 518509167 /nfs/dbraw/zinc/50/91/67/518509167.db2.gz AQEADBSPBKWYRX-YLJYHZDGSA-N 1 3 372.557 2.758 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000576344813 518547034 /nfs/dbraw/zinc/54/70/34/518547034.db2.gz IJLPQQWIVOHWJV-MNAPGUCWSA-N 1 3 369.553 2.915 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000576344832 518547332 /nfs/dbraw/zinc/54/73/32/518547332.db2.gz IJLPQQWIVOHWJV-XYEHWOGUSA-N 1 3 369.553 2.915 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(-n2ccnc2)cs1 ZINC000564686599 518564474 /nfs/dbraw/zinc/56/44/74/518564474.db2.gz HHRFONUDHGCHRY-KRWDZBQOSA-N 1 3 361.559 2.782 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(-n2ccnc2)cs1 ZINC000564686599 518564478 /nfs/dbraw/zinc/56/44/78/518564478.db2.gz HHRFONUDHGCHRY-KRWDZBQOSA-N 1 3 361.559 2.782 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000564723789 518583586 /nfs/dbraw/zinc/58/35/86/518583586.db2.gz SNFDEGNKOUVQSC-YHYVQYDKSA-N 1 3 354.494 2.507 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000579248886 518592822 /nfs/dbraw/zinc/59/28/22/518592822.db2.gz QBIAKRCDROZZGB-SFHVURJKSA-N 1 3 364.921 2.894 20 0 FFADHO COc1cc2c(c(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)c1)O[C@H](C)C2 ZINC000567711205 518669804 /nfs/dbraw/zinc/66/98/04/518669804.db2.gz JWAWTGZZDZKXIF-RFVSGWPVSA-N 1 3 360.498 2.737 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000573493763 518693423 /nfs/dbraw/zinc/69/34/23/518693423.db2.gz GGGFBQASLPCWTN-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000573493763 518693429 /nfs/dbraw/zinc/69/34/29/518693429.db2.gz GGGFBQASLPCWTN-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000564988648 518732692 /nfs/dbraw/zinc/73/26/92/518732692.db2.gz LECRXCRTKVJDFE-IBGZPJMESA-N 1 3 355.482 2.853 20 0 FFADHO NCc1nnc(-c2ccc(NC(=O)CC[C@@H]([NH3+])CC3CCCCC3)cc2)[nH]1 ZINC000567835867 518737842 /nfs/dbraw/zinc/73/78/42/518737842.db2.gz JRLRHEWJCPZVQZ-MRXNPFEDSA-N 1 3 370.501 2.947 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000570740101 518755745 /nfs/dbraw/zinc/75/57/45/518755745.db2.gz YUZVUXLYZYALEY-UONOGXRCSA-N 1 3 354.292 2.946 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000570740101 518755751 /nfs/dbraw/zinc/75/57/51/518755751.db2.gz YUZVUXLYZYALEY-UONOGXRCSA-N 1 3 354.292 2.946 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576776524 518758525 /nfs/dbraw/zinc/75/85/25/518758525.db2.gz QEDDYJQRSSKQGE-IRLDBZIGSA-N 1 3 355.526 2.985 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576776524 518758529 /nfs/dbraw/zinc/75/85/29/518758529.db2.gz QEDDYJQRSSKQGE-IRLDBZIGSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)OCc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000570843570 518807237 /nfs/dbraw/zinc/80/72/37/518807237.db2.gz IUVDGTSMVKUCGG-LEWJYISDSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[C@@H]1[NH3+] ZINC000582595465 518830037 /nfs/dbraw/zinc/83/00/37/518830037.db2.gz FUMCYOAINQHLTK-WBTNSWJXSA-N 1 3 350.532 2.510 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000570918872 518842642 /nfs/dbraw/zinc/84/26/42/518842642.db2.gz SPLQGPJLCRBWAW-LJQANCHMSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC[C@H](O)Cn2cccn2)C1 ZINC000570955513 518858941 /nfs/dbraw/zinc/85/89/41/518858941.db2.gz BWQMSPAUCREOTH-UEXGIBASSA-N 1 3 356.514 2.512 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@H](O)Cn2cccn2)C1 ZINC000570955513 518858948 /nfs/dbraw/zinc/85/89/48/518858948.db2.gz BWQMSPAUCREOTH-UEXGIBASSA-N 1 3 356.514 2.512 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCC[NH2+]C1 ZINC000573904725 518892624 /nfs/dbraw/zinc/89/26/24/518892624.db2.gz PJSYBWOKZHWCNO-MAUKXSAKSA-N 1 3 350.532 2.574 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000579864604 518894034 /nfs/dbraw/zinc/89/40/34/518894034.db2.gz LEWYGCHAIBZZHU-YJBOKZPZSA-N 1 3 361.486 2.654 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000579864604 518894041 /nfs/dbraw/zinc/89/40/41/518894041.db2.gz LEWYGCHAIBZZHU-YJBOKZPZSA-N 1 3 361.486 2.654 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000565352751 518912513 /nfs/dbraw/zinc/91/25/13/518912513.db2.gz VZXIVXLVYPBYPJ-SOLBZPMBSA-N 1 3 364.559 2.777 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000574022232 518948893 /nfs/dbraw/zinc/94/88/93/518948893.db2.gz JKOVXXCKLVKAQL-HNNXBMFYSA-N 1 3 360.502 2.801 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000574022232 518948901 /nfs/dbraw/zinc/94/89/01/518948901.db2.gz JKOVXXCKLVKAQL-HNNXBMFYSA-N 1 3 360.502 2.801 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000577194595 518960230 /nfs/dbraw/zinc/96/02/30/518960230.db2.gz IHXROTJYFHMUKZ-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C1 ZINC000577279229 519003390 /nfs/dbraw/zinc/00/33/90/519003390.db2.gz FTEYVPGQRGQNMI-NHCUHLMSSA-N 1 3 371.525 2.641 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000565591960 519033567 /nfs/dbraw/zinc/03/35/67/519033567.db2.gz TWZMTLCTNMZWAH-ICSRJNTNSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000565591960 519033573 /nfs/dbraw/zinc/03/35/73/519033573.db2.gz TWZMTLCTNMZWAH-ICSRJNTNSA-N 1 3 358.530 2.775 20 0 FFADHO CSC1(CNC(=O)NCCC[NH+](C(C)C)C(C)C)CCN(C)CC1 ZINC000583057274 519053865 /nfs/dbraw/zinc/05/38/65/519053865.db2.gz NBYOOZZMXMVSAI-UHFFFAOYSA-N 1 3 358.596 2.622 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000571528287 519141269 /nfs/dbraw/zinc/14/12/69/519141269.db2.gz WWQCTCOUDMRUGA-KNQAVFIVSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000571528287 519141272 /nfs/dbraw/zinc/14/12/72/519141272.db2.gz WWQCTCOUDMRUGA-KNQAVFIVSA-N 1 3 370.541 2.967 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000571535911 519146902 /nfs/dbraw/zinc/14/69/02/519146902.db2.gz UZBOYUHOUKZSAI-NHCUHLMSSA-N 1 3 351.494 2.928 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000571535911 519146908 /nfs/dbraw/zinc/14/69/08/519146908.db2.gz UZBOYUHOUKZSAI-NHCUHLMSSA-N 1 3 351.494 2.928 20 0 FFADHO CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000565822814 519150870 /nfs/dbraw/zinc/15/08/70/519150870.db2.gz YYYWSILDMZSVFE-QWFCFKBJSA-N 1 3 358.530 2.667 20 0 FFADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000590243120 519180730 /nfs/dbraw/zinc/18/07/30/519180730.db2.gz HJQZUCFYCTXGPB-AZUAARDMSA-N 1 3 359.514 2.682 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3sccc3C)CC2)CC1 ZINC000583331815 519193517 /nfs/dbraw/zinc/19/35/17/519193517.db2.gz OURLXDAWFDRMSB-UHFFFAOYSA-N 1 3 363.571 2.912 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000571698000 519227293 /nfs/dbraw/zinc/22/72/93/519227293.db2.gz BVSVTFGVOFFUPR-QGZVFWFLSA-N 1 3 360.546 2.505 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000571698000 519227296 /nfs/dbraw/zinc/22/72/96/519227296.db2.gz BVSVTFGVOFFUPR-QGZVFWFLSA-N 1 3 360.546 2.505 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577749794 519237330 /nfs/dbraw/zinc/23/73/30/519237330.db2.gz UEXLYYSGKXUKGK-HSALFYBXSA-N 1 3 373.516 2.886 20 0 FFADHO CC(C)(C)N1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000577835845 519279417 /nfs/dbraw/zinc/27/94/17/519279417.db2.gz DXNMSURTDRMGEM-QGZVFWFLSA-N 1 3 353.576 2.537 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cnc(C)cc3C)CC2)CC1 ZINC000580659128 519288430 /nfs/dbraw/zinc/28/84/30/519288430.db2.gz RBJODTNXMZJALU-UHFFFAOYSA-N 1 3 358.530 2.511 20 0 FFADHO C[C@@H](CNC[C@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000566106334 519302258 /nfs/dbraw/zinc/30/22/58/519302258.db2.gz MRRDUYOFTCONEX-LPHOPBHVSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H](C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)CN1CCCCC1 ZINC000566106334 519302264 /nfs/dbraw/zinc/30/22/64/519302264.db2.gz MRRDUYOFTCONEX-LPHOPBHVSA-N 1 3 354.922 2.929 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000574744714 519310328 /nfs/dbraw/zinc/31/03/28/519310328.db2.gz QVFAFPXQXFVILN-NHCUHLMSSA-N 1 3 373.541 2.791 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)COC2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000574807923 519341207 /nfs/dbraw/zinc/34/12/07/519341207.db2.gz IHZBSNPZJITHSU-SOAGJPPSSA-N 1 3 359.514 2.535 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000566193035 519361713 /nfs/dbraw/zinc/36/17/13/519361713.db2.gz HNKHAJJJUVGKBD-KRWDZBQOSA-N 1 3 358.511 2.843 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000574874788 519379161 /nfs/dbraw/zinc/37/91/61/519379161.db2.gz PEVKSSJVBHDWNK-DQLDELGASA-N 1 3 366.509 2.946 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cc3ccsc3)CC2)CC1 ZINC000572012830 519396837 /nfs/dbraw/zinc/39/68/37/519396837.db2.gz WVIUNTQKHFZBFA-MRXNPFEDSA-N 1 3 363.571 2.992 20 0 FFADHO CC(C)c1ccc(OC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000583799868 519439743 /nfs/dbraw/zinc/43/97/43/519439743.db2.gz QMPQVZOAASCGAT-SFHVURJKSA-N 1 3 373.541 2.851 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2sccc2OC)CC1 ZINC000580979857 519458514 /nfs/dbraw/zinc/45/85/14/519458514.db2.gz VQMBDOZLWKGWHO-UHFFFAOYSA-N 1 3 367.559 2.817 20 0 FFADHO Cc1cc(NC(=O)CCNC2CC[NH+]([C@H](C)c3ccccc3)CC2)no1 ZINC000578186734 519464673 /nfs/dbraw/zinc/46/46/73/519464673.db2.gz AAZHZUGCTUZORJ-MRXNPFEDSA-N 1 3 356.470 2.549 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[C@H](c1ccccc1)N(C)C ZINC000583860180 519470896 /nfs/dbraw/zinc/47/08/96/519470896.db2.gz SQNFTASCEUXENP-GZRFBZBPSA-N 1 3 367.497 2.711 20 0 FFADHO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000591054632 519492776 /nfs/dbraw/zinc/49/27/76/519492776.db2.gz LLTNTYMZFXCBAL-AZUAARDMSA-N 1 3 361.505 2.980 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)C[C@@H](C)O1 ZINC000578240392 519492949 /nfs/dbraw/zinc/49/29/49/519492949.db2.gz QJEMPQJIBRGROG-ZHALLVOQSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000591094353 519508228 /nfs/dbraw/zinc/50/82/28/519508228.db2.gz MKFYMXLGCAHJNN-QGZVFWFLSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000591094353 519508238 /nfs/dbraw/zinc/50/82/38/519508238.db2.gz MKFYMXLGCAHJNN-QGZVFWFLSA-N 1 3 359.514 2.764 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCC3(F)F)CC2)CC1 ZINC000566468437 519509038 /nfs/dbraw/zinc/50/90/38/519509038.db2.gz BBNXZGLHINPCOJ-MRXNPFEDSA-N 1 3 357.489 2.734 20 0 FFADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000569360791 519511726 /nfs/dbraw/zinc/51/17/26/519511726.db2.gz RHAPZZYNYARWRN-UXHICEINSA-N 1 3 355.526 2.888 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000581179862 519562445 /nfs/dbraw/zinc/56/24/45/519562445.db2.gz XGTHSOBQPBWLTL-SFHVURJKSA-N 1 3 354.454 2.593 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N(C)C ZINC000572380972 519585664 /nfs/dbraw/zinc/58/56/64/519585664.db2.gz JVAXKRWDRNEYDC-HFSMHLIXSA-N 1 3 358.530 2.771 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000584127419 519604066 /nfs/dbraw/zinc/60/40/66/519604066.db2.gz ZZSDJRQMJIXFEH-LJQANCHMSA-N 1 3 360.546 2.880 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000591560461 519951377 /nfs/dbraw/zinc/95/13/77/519951377.db2.gz JBAWRDPQUOJUSR-VQIMIIECSA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000591560461 519951387 /nfs/dbraw/zinc/95/13/87/519951387.db2.gz JBAWRDPQUOJUSR-VQIMIIECSA-N 1 3 358.530 2.605 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](Cn2cccn2)c2ccccc2)CC[NH2+]CC1 ZINC000591567559 519954912 /nfs/dbraw/zinc/95/49/12/519954912.db2.gz VCSRUFMFQYHXBI-PKOBYXMFSA-N 1 3 370.497 2.535 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591865530 520066675 /nfs/dbraw/zinc/06/66/75/520066675.db2.gz CFOYCFHFRBHNIA-HNNXBMFYSA-N 1 3 357.420 2.547 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591865530 520066683 /nfs/dbraw/zinc/06/66/83/520066683.db2.gz CFOYCFHFRBHNIA-HNNXBMFYSA-N 1 3 357.420 2.547 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000608656478 520068927 /nfs/dbraw/zinc/06/89/27/520068927.db2.gz WAPININUOCGFTA-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000608656478 520068933 /nfs/dbraw/zinc/06/89/33/520068933.db2.gz WAPININUOCGFTA-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000608684938 520079872 /nfs/dbraw/zinc/07/98/72/520079872.db2.gz DGGGPTFWYPGVQP-NHCUHLMSSA-N 1 3 368.525 2.869 20 0 FFADHO CSCc1c2ccccc2oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000609136169 520203874 /nfs/dbraw/zinc/20/38/74/520203874.db2.gz OZSJCOQALZZRJQ-UHFFFAOYSA-N 1 3 363.527 2.861 20 0 FFADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000594916761 520216172 /nfs/dbraw/zinc/21/61/72/520216172.db2.gz BUZXGSMDVUESLL-RYGJVYDSSA-N 1 3 360.498 2.694 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978653 520253301 /nfs/dbraw/zinc/25/33/01/520253301.db2.gz ZNZORFLSARJGRH-UXHICEINSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000617007451 520276727 /nfs/dbraw/zinc/27/67/27/520276727.db2.gz TUHOXJHHBOWLPP-BFHYXJOUSA-N 1 3 363.468 2.884 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000617007451 520276734 /nfs/dbraw/zinc/27/67/34/520276734.db2.gz TUHOXJHHBOWLPP-BFHYXJOUSA-N 1 3 363.468 2.884 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000604083887 520444646 /nfs/dbraw/zinc/44/46/46/520444646.db2.gz WXCAPDJLPXVUHI-UFYCRDLUSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000604083887 520444651 /nfs/dbraw/zinc/44/46/51/520444651.db2.gz WXCAPDJLPXVUHI-UFYCRDLUSA-N 1 3 356.514 2.577 20 0 FFADHO CCCC[N@H+](C)CC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000613491073 520527340 /nfs/dbraw/zinc/52/73/40/520527340.db2.gz DKQHDCRPBYZQAC-UHFFFAOYSA-N 1 3 356.518 2.649 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000613491073 520527347 /nfs/dbraw/zinc/52/73/47/520527347.db2.gz DKQHDCRPBYZQAC-UHFFFAOYSA-N 1 3 356.518 2.649 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(-c2cccs2)n1 ZINC000617504501 520537322 /nfs/dbraw/zinc/53/73/22/520537322.db2.gz YONGZKHCZZFBRE-ZDUSSCGKSA-N 1 3 366.556 2.873 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(-c2cccs2)n1 ZINC000617504501 520537330 /nfs/dbraw/zinc/53/73/30/520537330.db2.gz YONGZKHCZZFBRE-ZDUSSCGKSA-N 1 3 366.556 2.873 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000617503762 520538432 /nfs/dbraw/zinc/53/84/32/520538432.db2.gz YELJPRZAOCEIOA-UAGQMJEPSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000617503762 520538439 /nfs/dbraw/zinc/53/84/39/520538439.db2.gz YELJPRZAOCEIOA-UAGQMJEPSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(F)cccc1Br ZINC000617505631 520541566 /nfs/dbraw/zinc/54/15/66/520541566.db2.gz KVXQVAXJSGLPBO-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(F)cccc1Br ZINC000617505631 520541575 /nfs/dbraw/zinc/54/15/75/520541575.db2.gz KVXQVAXJSGLPBO-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000595904854 520811117 /nfs/dbraw/zinc/81/11/17/520811117.db2.gz MXDSVGBASLLJNJ-CRAIPNDOSA-N 1 3 361.486 2.560 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+]1CCCCC1 ZINC000617978290 520815686 /nfs/dbraw/zinc/81/56/86/520815686.db2.gz XUVZORDRPZHRDV-NRFANRHFSA-N 1 3 372.557 2.920 20 0 FFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000598964775 520947239 /nfs/dbraw/zinc/94/72/39/520947239.db2.gz RKGWZAIEFUFVBA-GASCZTMLSA-N 1 3 365.518 2.787 20 0 FFADHO COC(=O)[C@H]1CC12CCN(Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000611272099 521071828 /nfs/dbraw/zinc/07/18/28/521071828.db2.gz VUJOKOXSITXCKB-HXUWFJFHSA-N 1 3 372.509 2.936 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655928 521194115 /nfs/dbraw/zinc/19/41/15/521194115.db2.gz ZTMFQFGGJONEIK-DOMZBBRYSA-N 1 3 358.267 2.811 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(I)cc1 ZINC000596655928 521194121 /nfs/dbraw/zinc/19/41/21/521194121.db2.gz ZTMFQFGGJONEIK-DOMZBBRYSA-N 1 3 358.267 2.811 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc4c(C)cccn34)CC2)CC1 ZINC000619015695 521354200 /nfs/dbraw/zinc/35/42/00/521354200.db2.gz ISBOEGNYGLFVQJ-UHFFFAOYSA-N 1 3 369.513 2.778 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C(=O)OC)cs3)CC2)CC1 ZINC000602698233 521483321 /nfs/dbraw/zinc/48/33/21/521483321.db2.gz MNBQHMVPRWRDPP-UHFFFAOYSA-N 1 3 365.543 2.527 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cc(C(=O)OC)cs3)CC2)CC1 ZINC000602698233 521483326 /nfs/dbraw/zinc/48/33/26/521483326.db2.gz MNBQHMVPRWRDPP-UHFFFAOYSA-N 1 3 365.543 2.527 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000615853430 521558936 /nfs/dbraw/zinc/55/89/36/521558936.db2.gz KFHSKJCLSVXPEC-PZJWPPBQSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000615853430 521558942 /nfs/dbraw/zinc/55/89/42/521558942.db2.gz KFHSKJCLSVXPEC-PZJWPPBQSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625944243 521801190 /nfs/dbraw/zinc/80/11/90/521801190.db2.gz SJVOIMSXOYQHOV-INIZCTEOSA-N 1 3 360.502 2.945 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625944243 521801197 /nfs/dbraw/zinc/80/11/97/521801197.db2.gz SJVOIMSXOYQHOV-INIZCTEOSA-N 1 3 360.502 2.945 20 0 FFADHO CC1CC[NH+](Cc2cccc(CN[C@@H]3CCCS(=O)(=O)CC3)c2)CC1 ZINC000634959950 521835639 /nfs/dbraw/zinc/83/56/39/521835639.db2.gz FVIHWYNTCVUSOD-HXUWFJFHSA-N 1 3 364.555 2.975 20 0 FFADHO O[C@H](CNCC1(c2ccc3c(c2)OCO3)CCCCC1)C[NH+]1CCCC1 ZINC000619743499 521851594 /nfs/dbraw/zinc/85/15/94/521851594.db2.gz GAYMUAGPIANUBF-GOSISDBHSA-N 1 3 360.498 2.664 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccnc(N2CCSCC2)c1 ZINC000635005962 521861738 /nfs/dbraw/zinc/86/17/38/521861738.db2.gz ACXUKPUSYBQQAF-CQSZACIVSA-N 1 3 357.527 2.648 20 0 FFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000635011121 521865778 /nfs/dbraw/zinc/86/57/78/521865778.db2.gz XRPGEBGILHDLEL-KRWDZBQOSA-N 1 3 367.497 2.501 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013979 521866685 /nfs/dbraw/zinc/86/66/85/521866685.db2.gz XIIVSLXOVMFECW-UONOGXRCSA-N 1 3 361.511 2.707 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CN1C1CC1 ZINC000626042325 521875484 /nfs/dbraw/zinc/87/54/84/521875484.db2.gz ZLHIZBVDZBBKCN-JJJJLYANSA-N 1 3 367.537 2.886 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CN1C1CC1 ZINC000626042325 521875492 /nfs/dbraw/zinc/87/54/92/521875492.db2.gz ZLHIZBVDZBBKCN-JJJJLYANSA-N 1 3 367.537 2.886 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626076871 521912538 /nfs/dbraw/zinc/91/25/38/521912538.db2.gz YCKUDBVZTMPNPC-IDZYALCFSA-N 1 3 367.537 2.744 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626076871 521912549 /nfs/dbraw/zinc/91/25/49/521912549.db2.gz YCKUDBVZTMPNPC-IDZYALCFSA-N 1 3 367.537 2.744 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623550702 522111786 /nfs/dbraw/zinc/11/17/86/522111786.db2.gz YRZOGVJJMWWXKF-NJDAHSKKSA-N 1 3 359.558 2.986 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623790252 522287205 /nfs/dbraw/zinc/28/72/05/522287205.db2.gz DHGFDKYGRWTDQP-QZTJIDSGSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623790252 522287212 /nfs/dbraw/zinc/28/72/12/522287212.db2.gz DHGFDKYGRWTDQP-QZTJIDSGSA-N 1 3 373.545 2.638 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)N2CCCC2)cc1 ZINC000635526647 522335937 /nfs/dbraw/zinc/33/59/37/522335937.db2.gz KVBMOAOHHLPLCX-YVWKXTFCSA-N 1 3 374.529 2.649 20 0 FFADHO O[C@@H](CNCC/C=C\c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000629596180 522341944 /nfs/dbraw/zinc/34/19/44/522341944.db2.gz FIKGFXHPSATFTG-HIBKVVQVSA-N 1 3 353.304 2.899 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000629673272 522389226 /nfs/dbraw/zinc/38/92/26/522389226.db2.gz BAMQEHJYQYSBFZ-GOSISDBHSA-N 1 3 358.486 2.579 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000632914304 522389556 /nfs/dbraw/zinc/38/95/56/522389556.db2.gz IUZMLGMSAXSBSC-UFYCRDLUSA-N 1 3 364.578 2.918 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000620825706 522473191 /nfs/dbraw/zinc/47/31/91/522473191.db2.gz RLGZETYJOMOWDQ-CTNGQTDRSA-N 1 3 372.557 2.930 20 0 FFADHO COc1c(C)cc(Cl)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000626826560 522476381 /nfs/dbraw/zinc/47/63/81/522476381.db2.gz RDFUHYRKSHJFLG-UHFFFAOYSA-N 1 3 356.898 2.614 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635751914 522505863 /nfs/dbraw/zinc/50/58/63/522505863.db2.gz FNNQARIEINLKBA-FQEVSTJZSA-N 1 3 365.562 2.600 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635751914 522505871 /nfs/dbraw/zinc/50/58/71/522505871.db2.gz FNNQARIEINLKBA-FQEVSTJZSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@@H](NCc1ccc2oc(=O)n(C)c2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000624202460 522538407 /nfs/dbraw/zinc/53/84/07/522538407.db2.gz BDUHRFNXSRNERA-OAHLLOKOSA-N 1 3 369.465 2.923 20 0 FFADHO CCC1(N2CCOCC2)CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000624256094 522569829 /nfs/dbraw/zinc/56/98/29/522569829.db2.gz AQMNOPAOHFCSSL-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO CCC1(N2CCOCC2)CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000624256094 522569836 /nfs/dbraw/zinc/56/98/36/522569836.db2.gz AQMNOPAOHFCSSL-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO CCC1(N2CCOCC2)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000624256094 522569845 /nfs/dbraw/zinc/56/98/45/522569845.db2.gz AQMNOPAOHFCSSL-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C[NH2+]1 ZINC000627029770 522602965 /nfs/dbraw/zinc/60/29/65/522602965.db2.gz AFWSSBMNIDLLTL-BHIYHBOVSA-N 1 3 358.530 2.727 20 0 FFADHO CCCOc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000627045899 522613185 /nfs/dbraw/zinc/61/31/85/522613185.db2.gz YSRORRLVIPFPOS-UHFFFAOYSA-N 1 3 354.470 2.572 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000627048464 522618472 /nfs/dbraw/zinc/61/84/72/522618472.db2.gz DVMIJCBBGSBCPB-SFHVURJKSA-N 1 3 356.514 2.625 20 0 FFADHO CN(C(=O)[C@@H]1CC[N@@H+]1C1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000636011772 522687692 /nfs/dbraw/zinc/68/76/92/522687692.db2.gz LMEGLBSGYNKQPF-INIZCTEOSA-N 1 3 361.452 2.879 20 0 FFADHO CN(C(=O)[C@@H]1CC[N@H+]1C1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000636011772 522687699 /nfs/dbraw/zinc/68/76/99/522687699.db2.gz LMEGLBSGYNKQPF-INIZCTEOSA-N 1 3 361.452 2.879 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C[NH2+]1 ZINC000627200853 522712654 /nfs/dbraw/zinc/71/26/54/522712654.db2.gz UMZWJUBYQWXBPY-KAGYGMCKSA-N 1 3 370.541 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC(C)C)cc1 ZINC000624649626 522842330 /nfs/dbraw/zinc/84/23/30/522842330.db2.gz SHLZCYUFUXNTDK-IBGZPJMESA-N 1 3 361.530 2.962 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC(C)C)cc1 ZINC000624649626 522842339 /nfs/dbraw/zinc/84/23/39/522842339.db2.gz SHLZCYUFUXNTDK-IBGZPJMESA-N 1 3 361.530 2.962 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000621642093 522992119 /nfs/dbraw/zinc/99/21/19/522992119.db2.gz DEMMRKOYIQFQJI-CQSZACIVSA-N 1 3 353.894 2.999 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nccc2ccsc21 ZINC000625025958 523110692 /nfs/dbraw/zinc/11/06/92/523110692.db2.gz NMGHOKJJGFZNLR-INIZCTEOSA-N 1 3 360.527 2.784 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nccc2ccsc21 ZINC000625025958 523110703 /nfs/dbraw/zinc/11/07/03/523110703.db2.gz NMGHOKJJGFZNLR-INIZCTEOSA-N 1 3 360.527 2.784 20 0 FFADHO Cc1cccc(CO[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000630862740 523196508 /nfs/dbraw/zinc/19/65/08/523196508.db2.gz LUXVERFOWPOTCZ-SFHVURJKSA-N 1 3 373.541 2.575 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sc2ncccc2c1Cl ZINC000628052060 523305881 /nfs/dbraw/zinc/30/58/81/523305881.db2.gz XEGCABQBBFHWPD-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sc2ncccc2c1Cl ZINC000628052060 523305894 /nfs/dbraw/zinc/30/58/94/523305894.db2.gz XEGCABQBBFHWPD-LBPRGKRZSA-N 1 3 368.934 2.952 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000637014849 523365829 /nfs/dbraw/zinc/36/58/29/523365829.db2.gz JFANXKMLELFTOI-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625382152 523395276 /nfs/dbraw/zinc/39/52/76/523395276.db2.gz XPQZHDNGMDPXLE-FDFHNCONSA-N 1 3 367.537 2.745 20 0 FFADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625382152 523395282 /nfs/dbraw/zinc/39/52/82/523395282.db2.gz XPQZHDNGMDPXLE-FDFHNCONSA-N 1 3 367.537 2.745 20 0 FFADHO O[C@@]1(CNCCc2noc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000634649359 523552271 /nfs/dbraw/zinc/55/22/71/523552271.db2.gz LVHPIGJTFPTPFQ-OAQYLSRUSA-N 1 3 351.450 2.597 20 0 FFADHO O[C@@]1(CNCCc2noc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649359 523552284 /nfs/dbraw/zinc/55/22/84/523552284.db2.gz LVHPIGJTFPTPFQ-OAQYLSRUSA-N 1 3 351.450 2.597 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1=CCN(C)CC1 ZINC000634711464 523598680 /nfs/dbraw/zinc/59/86/80/523598680.db2.gz PHTAAQYEMLTFHV-WBMJQRKESA-N 1 3 359.297 2.973 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634713762 523602186 /nfs/dbraw/zinc/60/21/86/523602186.db2.gz AQHIYGUSAJMPTH-FCEUIQTBSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634713762 523602197 /nfs/dbraw/zinc/60/21/97/523602197.db2.gz AQHIYGUSAJMPTH-FCEUIQTBSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@](O)(C[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CC1 ZINC000634713762 523602203 /nfs/dbraw/zinc/60/22/03/523602203.db2.gz AQHIYGUSAJMPTH-FCEUIQTBSA-N 1 3 360.542 2.790 20 0 FFADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(C)ccn1 ZINC000631636684 523728985 /nfs/dbraw/zinc/72/89/85/523728985.db2.gz LGUFGAKIPLCAOP-LJQANCHMSA-N 1 3 360.546 2.617 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000631664510 523741945 /nfs/dbraw/zinc/74/19/45/523741945.db2.gz OIJJKZVKLMIBQE-KAGYGMCKSA-N 1 3 357.542 2.597 20 0 FFADHO COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000821813536 599407452 /nfs/dbraw/zinc/40/74/52/599407452.db2.gz ILKFINNUALWZPV-HOTGVXAUSA-N 1 3 372.517 2.723 20 0 FFADHO COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000821813536 599407455 /nfs/dbraw/zinc/40/74/55/599407455.db2.gz ILKFINNUALWZPV-HOTGVXAUSA-N 1 3 372.517 2.723 20 0 FFADHO COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000821813538 599407659 /nfs/dbraw/zinc/40/76/59/599407659.db2.gz ILKFINNUALWZPV-HZPDHXFCSA-N 1 3 372.517 2.723 20 0 FFADHO COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000821813538 599407661 /nfs/dbraw/zinc/40/76/61/599407661.db2.gz ILKFINNUALWZPV-HZPDHXFCSA-N 1 3 372.517 2.723 20 0 FFADHO Cc1[nH+]c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cc2[nH]ccc21 ZINC001164769542 721183912 /nfs/dbraw/zinc/18/39/12/721183912.db2.gz MSNWVDHIURACJY-SJORKVTESA-N 1 3 350.470 2.563 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)CC1 ZINC000899047712 735437607 /nfs/dbraw/zinc/43/76/07/735437607.db2.gz SKBDQMRICOEOMC-UHFFFAOYSA-N 1 3 363.893 2.770 20 0 FFADHO C[C@H](C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000899050173 735438830 /nfs/dbraw/zinc/43/88/30/735438830.db2.gz LWOAAUOAFXVGTH-JHJVBQTASA-N 1 3 363.893 2.911 20 0 FFADHO S=C(NCCC[NH+]1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000145500943 728742592 /nfs/dbraw/zinc/74/25/92/728742592.db2.gz SHOJIUNXIKRHMD-UHFFFAOYSA-N 1 3 360.571 2.601 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000180960594 729229910 /nfs/dbraw/zinc/22/99/10/729229910.db2.gz QQDMDNAOKHLGHQ-SFHVURJKSA-N 1 3 374.356 2.985 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CN1CC[NH+](C)CC1 ZINC000185344451 729347401 /nfs/dbraw/zinc/34/74/01/729347401.db2.gz COAIRKADYWUOEN-KBPBESRZSA-N 1 3 370.335 2.689 20 0 FFADHO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000925128937 738480420 /nfs/dbraw/zinc/48/04/20/738480420.db2.gz FGIQEFLNIFLEPM-HOCLYGCPSA-N 1 3 353.304 2.529 20 0 FFADHO C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000925128937 738480422 /nfs/dbraw/zinc/48/04/22/738480422.db2.gz FGIQEFLNIFLEPM-HOCLYGCPSA-N 1 3 353.304 2.529 20 0 FFADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(CO)cc2)CC1 ZINC000647229519 730726870 /nfs/dbraw/zinc/72/68/70/730726870.db2.gz UGJYXWVXGKIZNB-UHFFFAOYSA-N 1 3 359.901 2.874 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000650705355 731021774 /nfs/dbraw/zinc/02/17/74/731021774.db2.gz FDTOETMUFJUFHX-BFYDXBDKSA-N 1 3 366.889 2.830 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000650707553 731022079 /nfs/dbraw/zinc/02/20/79/731022079.db2.gz INYJGCUGLRJZOD-IIDMSEBBSA-N 1 3 358.511 2.923 20 0 FFADHO CC(C)CCN1CCC([NH2+]CCNC(=O)c2c(F)cccc2F)CC1 ZINC000925396276 738504181 /nfs/dbraw/zinc/50/41/81/738504181.db2.gz LIUYUDKYLNVSJI-UHFFFAOYSA-N 1 3 353.457 2.795 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000652291202 731180536 /nfs/dbraw/zinc/18/05/36/731180536.db2.gz JIYRAGBJIMCSEG-UHFFFAOYSA-N 1 3 360.527 2.741 20 0 FFADHO C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000925582238 738516065 /nfs/dbraw/zinc/51/60/65/738516065.db2.gz DENICNAPGLDNAC-CZUORRHYSA-N 1 3 357.420 2.952 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Cl)cn3)CC2)CC1 ZINC000654983751 731416476 /nfs/dbraw/zinc/41/64/76/731416476.db2.gz QTEPYDXCORQLEL-UHFFFAOYSA-N 1 3 364.921 2.548 20 0 FFADHO CCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(Br)c1[O-] ZINC000656268531 731567575 /nfs/dbraw/zinc/56/75/75/731567575.db2.gz FBWWLNQOHSKSDC-BJHJDKERSA-N 1 3 357.292 2.983 20 0 FFADHO C[C@@H](NCCCCCN1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000925847916 738535984 /nfs/dbraw/zinc/53/59/84/738535984.db2.gz WSRKSKRAJIKUOJ-CYBMUJFWSA-N 1 3 373.314 2.709 20 0 FFADHO COC(=O)COc1ccc(CN(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210374 731891240 /nfs/dbraw/zinc/89/12/40/731891240.db2.gz DJXPUFAPWLSSRE-UHFFFAOYSA-N 1 3 360.479 2.578 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)nn1 ZINC000873215481 731891841 /nfs/dbraw/zinc/89/18/41/731891841.db2.gz BETLWGTVHOUAAD-ZIAGYGMSSA-N 1 3 353.392 2.937 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000875711416 732182813 /nfs/dbraw/zinc/18/28/13/732182813.db2.gz XTNANXZFEZXCES-GOSISDBHSA-N 1 3 352.567 2.869 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000662146215 732274518 /nfs/dbraw/zinc/27/45/18/732274518.db2.gz RUVCOHWIMWOFNJ-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO Clc1ccccc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335921 732300144 /nfs/dbraw/zinc/30/01/44/732300144.db2.gz UHEBMXDVPJHLMB-MRXNPFEDSA-N 1 3 359.905 2.852 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc(Cl)n1 ZINC000877193272 732333056 /nfs/dbraw/zinc/33/30/56/732333056.db2.gz YUZOUXAYDDWBJE-INIZCTEOSA-N 1 3 364.921 2.768 20 0 FFADHO C[C@@H](NC(=O)NCCCCCCC[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000781378205 738621929 /nfs/dbraw/zinc/62/19/29/738621929.db2.gz FKTGKAJMUFHMOT-GOSISDBHSA-N 1 3 350.551 2.982 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc2sccc2c1 ZINC000664916383 732646971 /nfs/dbraw/zinc/64/69/71/732646971.db2.gz HNOJPYYCPTVXBC-HNNXBMFYSA-N 1 3 362.543 2.973 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc2sccc2c1 ZINC000664916383 732646972 /nfs/dbraw/zinc/64/69/72/732646972.db2.gz HNOJPYYCPTVXBC-HNNXBMFYSA-N 1 3 362.543 2.973 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000665357267 732698683 /nfs/dbraw/zinc/69/86/83/732698683.db2.gz IPAZWASVECIUIP-IAGOWNOFSA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000665357267 732698685 /nfs/dbraw/zinc/69/86/85/732698685.db2.gz IPAZWASVECIUIP-IAGOWNOFSA-N 1 3 350.482 2.600 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Cl)c1N(C)C ZINC000665610722 732731905 /nfs/dbraw/zinc/73/19/05/732731905.db2.gz OJNRAKHCCKBYNE-AWEZNQCLSA-N 1 3 369.941 2.800 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Cl)c1N(C)C ZINC000665610722 732731907 /nfs/dbraw/zinc/73/19/07/732731907.db2.gz OJNRAKHCCKBYNE-AWEZNQCLSA-N 1 3 369.941 2.800 20 0 FFADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000665639274 732735021 /nfs/dbraw/zinc/73/50/21/732735021.db2.gz SRSNHWBMYHOHDU-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000665639274 732735023 /nfs/dbraw/zinc/73/50/23/732735023.db2.gz SRSNHWBMYHOHDU-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO Cc1cc(F)ccc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761498 732753175 /nfs/dbraw/zinc/75/31/75/732753175.db2.gz GIKGIPFESXEGHM-INIZCTEOSA-N 1 3 352.498 2.548 20 0 FFADHO Cc1cc(F)ccc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761498 732753180 /nfs/dbraw/zinc/75/31/80/732753180.db2.gz GIKGIPFESXEGHM-INIZCTEOSA-N 1 3 352.498 2.548 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000665763746 732753779 /nfs/dbraw/zinc/75/37/79/732753779.db2.gz KYZKMHHJOJMMTK-HNNXBMFYSA-N 1 3 366.937 2.721 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000665763746 732753784 /nfs/dbraw/zinc/75/37/84/732753784.db2.gz KYZKMHHJOJMMTK-HNNXBMFYSA-N 1 3 366.937 2.721 20 0 FFADHO CC1(N2CCC2)CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000880470775 732912406 /nfs/dbraw/zinc/91/24/06/732912406.db2.gz MQFYTVXHRNFCIN-QGZVFWFLSA-N 1 3 352.906 2.778 20 0 FFADHO COc1ccc(C[C@@H](C)C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1F ZINC000668738740 733159163 /nfs/dbraw/zinc/15/91/63/733159163.db2.gz FTVUODSHPREZJB-CRAIPNDOSA-N 1 3 350.478 2.544 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccsc1 ZINC000669279525 733207525 /nfs/dbraw/zinc/20/75/25/733207525.db2.gz SEDCXLOMRNYWEQ-USXIJHARSA-N 1 3 350.532 2.524 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)C1CC[NH+](C)CC1 ZINC000674633836 733720685 /nfs/dbraw/zinc/72/06/85/733720685.db2.gz RLNMIWVELVLQIT-HNNXBMFYSA-N 1 3 352.548 2.552 20 0 FFADHO C[C@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ncc(Br)s1 ZINC000677416783 733943837 /nfs/dbraw/zinc/94/38/37/733943837.db2.gz RWNMBNKQRCWSFL-NSHDSACASA-N 1 3 361.353 2.582 20 0 FFADHO C[NH+]1CCC(CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000891502424 734438061 /nfs/dbraw/zinc/43/80/61/734438061.db2.gz WSRDCVUZJDECOF-UHFFFAOYSA-N 1 3 351.922 2.678 20 0 FFADHO CCC1([NH3+])CCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000891922066 734495174 /nfs/dbraw/zinc/49/51/74/734495174.db2.gz CZMFUNPKKKXHJI-KRWDZBQOSA-N 1 3 364.559 2.924 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000892192763 734527210 /nfs/dbraw/zinc/52/72/10/734527210.db2.gz OSRGSZJAOIVUPV-NVXWUHKLSA-N 1 3 358.368 2.650 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000734533799 734902389 /nfs/dbraw/zinc/90/23/89/734902389.db2.gz WYAFMSPIFGWTON-ACBHZAAOSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000734533799 734902392 /nfs/dbraw/zinc/90/23/92/734902392.db2.gz WYAFMSPIFGWTON-ACBHZAAOSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000894978205 734947163 /nfs/dbraw/zinc/94/71/63/734947163.db2.gz MPRJOFWHJGUSGU-NVXWUHKLSA-N 1 3 358.368 2.652 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000894978205 734947165 /nfs/dbraw/zinc/94/71/65/734947165.db2.gz MPRJOFWHJGUSGU-NVXWUHKLSA-N 1 3 358.368 2.652 20 0 FFADHO C[C@H]1C[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000741503362 735148642 /nfs/dbraw/zinc/14/86/42/735148642.db2.gz ARBYUUCHWSBPAJ-QFBILLFUSA-N 1 3 360.571 2.598 20 0 FFADHO C[C@H]1C[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741503362 735148644 /nfs/dbraw/zinc/14/86/44/735148644.db2.gz ARBYUUCHWSBPAJ-QFBILLFUSA-N 1 3 360.571 2.598 20 0 FFADHO C[C@@H]1C[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000741503363 735148685 /nfs/dbraw/zinc/14/86/85/735148685.db2.gz ARBYUUCHWSBPAJ-VQIMIIECSA-N 1 3 360.571 2.598 20 0 FFADHO C[C@@H]1C[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741503363 735148687 /nfs/dbraw/zinc/14/86/87/735148687.db2.gz ARBYUUCHWSBPAJ-VQIMIIECSA-N 1 3 360.571 2.598 20 0 FFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(C4(O)CCOCC4)CC3)CC2)C1 ZINC000903349762 736078843 /nfs/dbraw/zinc/07/88/43/736078843.db2.gz KICSGFLZYCZREB-IEBWSBKVSA-N 1 3 350.547 2.941 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)C1 ZINC000903761362 736163627 /nfs/dbraw/zinc/16/36/27/736163627.db2.gz QUGUMKHKGSACSE-LVQVYYBASA-N 1 3 350.425 2.705 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cc(Cl)cc(Cl)c1F ZINC000904388727 736247936 /nfs/dbraw/zinc/24/79/36/736247936.db2.gz AHZRWXWIHCOJOH-MNOVXSKESA-N 1 3 362.276 2.980 20 0 FFADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000905248130 736317594 /nfs/dbraw/zinc/31/75/94/736317594.db2.gz RYVAZESATLOPSG-INIZCTEOSA-N 1 3 360.329 2.642 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000915228975 737617263 /nfs/dbraw/zinc/61/72/63/737617263.db2.gz NNJUMTCOGFUGIA-UHFFFAOYSA-N 1 3 361.559 2.734 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3F)C2)[C@@H]1C(C)C ZINC000922395270 738137383 /nfs/dbraw/zinc/13/73/83/738137383.db2.gz RVCDRTGRDMPHIR-ZRNYENFQSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3F)C2)[C@@H]1C(C)C ZINC000922395270 738137384 /nfs/dbraw/zinc/13/73/84/738137384.db2.gz RVCDRTGRDMPHIR-ZRNYENFQSA-N 1 3 350.478 2.794 20 0 FFADHO CC(C)COC[C@@H](O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923342820 738274403 /nfs/dbraw/zinc/27/44/03/738274403.db2.gz RERBMSBAWCLYLD-ROUUACIJSA-N 1 3 352.544 2.726 20 0 FFADHO Cc1c(Cl)nccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000810294641 741406117 /nfs/dbraw/zinc/40/61/17/741406117.db2.gz YOJTUYSEPLNALI-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000812915802 741661965 /nfs/dbraw/zinc/66/19/65/741661965.db2.gz LPSGLRHXRMIDDT-IBGZPJMESA-N 1 3 351.466 2.778 20 0 FFADHO Cn1ncc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)c1Cl ZINC000815135179 741905164 /nfs/dbraw/zinc/90/51/64/741905164.db2.gz KPFQEJCRKTZYLM-UHFFFAOYSA-N 1 3 362.905 2.880 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC000999211262 742056028 /nfs/dbraw/zinc/05/60/28/742056028.db2.gz XRELTYUEWSCRAK-SOLBZPMBSA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3c(C)nsc3C)C2)CC[N@H+]1C ZINC000999211262 742056033 /nfs/dbraw/zinc/05/60/33/742056033.db2.gz XRELTYUEWSCRAK-SOLBZPMBSA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccc(Cl)nc3)C2)CC[N@@H+]1C ZINC000999211190 742056284 /nfs/dbraw/zinc/05/62/84/742056284.db2.gz XNUZVDNTVFGRFB-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccc(Cl)nc3)C2)CC[N@H+]1C ZINC000999211190 742056290 /nfs/dbraw/zinc/05/62/90/742056290.db2.gz XNUZVDNTVFGRFB-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@](O)(C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1F ZINC000818972917 742318496 /nfs/dbraw/zinc/31/84/96/742318496.db2.gz OYCOTECMDOWJHC-SJCJKPOMSA-N 1 3 371.294 2.870 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000819264754 742363575 /nfs/dbraw/zinc/36/35/75/742363575.db2.gz DEWUVFQMCUVICP-PBHICJAKSA-N 1 3 360.420 2.829 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000819264754 742363580 /nfs/dbraw/zinc/36/35/80/742363580.db2.gz DEWUVFQMCUVICP-PBHICJAKSA-N 1 3 360.420 2.829 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001034941471 742937366 /nfs/dbraw/zinc/93/73/66/742937366.db2.gz QRIKNBIASSDVBV-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccnc(Cl)c2)CC[N@H+]1C ZINC001034941471 742937374 /nfs/dbraw/zinc/93/73/74/742937374.db2.gz QRIKNBIASSDVBV-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827595128 743608265 /nfs/dbraw/zinc/60/82/65/743608265.db2.gz XMIXBMRVPTVUTO-DUVNUKRYSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827595128 743608271 /nfs/dbraw/zinc/60/82/71/743608271.db2.gz XMIXBMRVPTVUTO-DUVNUKRYSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827814488 744983247 /nfs/dbraw/zinc/98/32/47/744983247.db2.gz GBVPACKHIVQUHV-HOCLYGCPSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc(Cl)n1 ZINC000830142278 745313840 /nfs/dbraw/zinc/31/38/40/745313840.db2.gz OMOKKRIMVDJQRM-QGZVFWFLSA-N 1 3 364.921 2.910 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc(Cl)n1 ZINC000830142278 745313846 /nfs/dbraw/zinc/31/38/46/745313846.db2.gz OMOKKRIMVDJQRM-QGZVFWFLSA-N 1 3 364.921 2.910 20 0 FFADHO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(C)CC23CCCCC3)cc(Cl)n1 ZINC000844190501 747985228 /nfs/dbraw/zinc/98/52/28/747985228.db2.gz IPYYRTRGOIWUOV-INIZCTEOSA-N 1 3 364.921 2.910 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H](SC)C3)CC2)CC1 ZINC000847528296 748719760 /nfs/dbraw/zinc/71/97/60/748719760.db2.gz FRIFWUINYUAVRK-SJLPKXTDSA-N 1 3 353.576 2.583 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@](C)(CO)OC)cc1CN1CCCCC1 ZINC000848559609 748960651 /nfs/dbraw/zinc/96/06/51/748960651.db2.gz SNTATMDMVDPHIL-OXJNMPFZSA-N 1 3 350.503 2.729 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000849092027 749048774 /nfs/dbraw/zinc/04/87/74/749048774.db2.gz YFBAHWXXPBIYCY-DLBZAZTESA-N 1 3 351.926 2.541 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000852899291 749971202 /nfs/dbraw/zinc/97/12/02/749971202.db2.gz GRAASTAPNJRXOY-BZUAXINKSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000852899291 749971204 /nfs/dbraw/zinc/97/12/04/749971204.db2.gz GRAASTAPNJRXOY-BZUAXINKSA-N 1 3 350.894 2.566 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC3(CC2)COCCO3)CC1 ZINC000895696263 970865255 /nfs/dbraw/zinc/86/52/55/970865255.db2.gz QRDJURXZPDKFCF-UHFFFAOYSA-N 1 3 373.541 2.600 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000725898854 971443393 /nfs/dbraw/zinc/44/33/93/971443393.db2.gz YGLVOEPEESZOLX-WOJBJXKFSA-N 1 3 359.514 2.512 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000725898854 971443398 /nfs/dbraw/zinc/44/33/98/971443398.db2.gz YGLVOEPEESZOLX-WOJBJXKFSA-N 1 3 359.514 2.512 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)c1 ZINC001087992194 971735045 /nfs/dbraw/zinc/73/50/45/971735045.db2.gz IEHSCCRSHFRCDI-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)c1 ZINC001087992194 971735050 /nfs/dbraw/zinc/73/50/50/971735050.db2.gz IEHSCCRSHFRCDI-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@@H]3C2)c1 ZINC001087999380 971776531 /nfs/dbraw/zinc/77/65/31/971776531.db2.gz IXDQNOKKVCHVED-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)c1 ZINC001087999380 971776535 /nfs/dbraw/zinc/77/65/35/971776535.db2.gz IXDQNOKKVCHVED-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000047104308 971809077 /nfs/dbraw/zinc/80/90/77/971809077.db2.gz CMPNQCKOKRGMDC-LEWJYISDSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000047104308 971809086 /nfs/dbraw/zinc/80/90/86/971809086.db2.gz CMPNQCKOKRGMDC-LEWJYISDSA-N 1 3 370.541 2.839 20 0 FFADHO O=C(N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026384 971916806 /nfs/dbraw/zinc/91/68/06/971916806.db2.gz HETKTCLBSUDFPJ-MJGOQNOKSA-N 1 3 371.500 2.734 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000660567977 972248703 /nfs/dbraw/zinc/24/87/03/972248703.db2.gz NHNHLFLBDDZWGY-PMACEKPBSA-N 1 3 372.557 2.723 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000660567977 972248705 /nfs/dbraw/zinc/24/87/05/972248705.db2.gz NHNHLFLBDDZWGY-PMACEKPBSA-N 1 3 372.557 2.723 20 0 FFADHO Cn1ccc(N2CCC[C@H](N3CCC[C@H](C[C@@H]([NH3+])C4CCCC4)C3)C2=O)n1 ZINC000872157254 1013157557 /nfs/dbraw/zinc/15/75/57/1013157557.db2.gz NWEFRZHRAFMDNM-QRQLOZEOSA-N 1 3 373.545 2.535 20 0 FFADHO O[C@H](c1ccccc1)C1(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872214730 1013182883 /nfs/dbraw/zinc/18/28/83/1013182883.db2.gz CEXIFWKGQJAKPL-GGAORHGYSA-N 1 3 366.505 2.727 20 0 FFADHO O[C@H](c1ccccc1)C1(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872214730 1013182895 /nfs/dbraw/zinc/18/28/95/1013182895.db2.gz CEXIFWKGQJAKPL-GGAORHGYSA-N 1 3 366.505 2.727 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3cccnc3)C3CC3)CC2)CC1 ZINC000654968620 959215035 /nfs/dbraw/zinc/21/50/35/959215035.db2.gz GBJPGOVZTPMEES-NRFANRHFSA-N 1 3 370.541 2.845 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)c2)CC1 ZINC000655471990 960011433 /nfs/dbraw/zinc/01/14/33/960011433.db2.gz SLWGDJXEVLCCDG-PZJWPPBQSA-N 1 3 356.514 2.545 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2)CC1 ZINC000655471989 960011673 /nfs/dbraw/zinc/01/16/73/960011673.db2.gz SLWGDJXEVLCCDG-FPOVZHCZSA-N 1 3 356.514 2.545 20 0 FFADHO c1cnn(Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)c1 ZINC000655694854 961096070 /nfs/dbraw/zinc/09/60/70/961096070.db2.gz HPIVGDOGHKGQRS-NRFANRHFSA-N 1 3 354.498 2.664 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001095424374 1013334794 /nfs/dbraw/zinc/33/47/94/1013334794.db2.gz OZCKFKBZVDDWRX-MLNNCEHLSA-N 1 3 367.537 2.812 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095438875 1013370250 /nfs/dbraw/zinc/37/02/50/1013370250.db2.gz ONQSOSGLZDRIKO-WIGAVFHRSA-N 1 3 355.526 2.811 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001095438875 1013370261 /nfs/dbraw/zinc/37/02/61/1013370261.db2.gz ONQSOSGLZDRIKO-WIGAVFHRSA-N 1 3 355.526 2.811 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[NH2+]C4(CCCCC4)C3)cc2)CC1 ZINC000656363102 963420059 /nfs/dbraw/zinc/42/00/59/963420059.db2.gz XWMQFEQWAUICSL-UHFFFAOYSA-N 1 3 370.541 2.577 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090169376 963963388 /nfs/dbraw/zinc/96/33/88/963963388.db2.gz IMOUPTSAAHVJAX-CTNGQTDRSA-N 1 3 358.574 2.655 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCc2cc(N)ccn2)[NH+]2CCCC2)cc1 ZINC000891458703 964343626 /nfs/dbraw/zinc/34/36/26/964343626.db2.gz BRQUMUAGSRLYOG-LJQANCHMSA-N 1 3 353.470 2.609 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC23CC[NH+](C)CC3)N(C)C)cc1 ZINC000891538784 964446770 /nfs/dbraw/zinc/44/67/70/964446770.db2.gz DLRSJXCPXSCBQH-IBGZPJMESA-N 1 3 358.530 2.731 20 0 FFADHO CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000664674499 964921132 /nfs/dbraw/zinc/92/11/32/964921132.db2.gz QWRRUJLHVMZUEV-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000664674499 964921137 /nfs/dbraw/zinc/92/11/37/964921137.db2.gz QWRRUJLHVMZUEV-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000891766104 965038371 /nfs/dbraw/zinc/03/83/71/965038371.db2.gz RJGBIAXIDNOIGF-PWIZWCRZSA-N 1 3 370.541 2.653 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000891766104 965038376 /nfs/dbraw/zinc/03/83/76/965038376.db2.gz RJGBIAXIDNOIGF-PWIZWCRZSA-N 1 3 370.541 2.653 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)C1=CCN(C)CC1 ZINC000891764847 965039696 /nfs/dbraw/zinc/03/96/96/965039696.db2.gz HYVDBZMRJWQPAQ-SQGPQFPESA-N 1 3 362.562 2.966 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001087181376 965291790 /nfs/dbraw/zinc/29/17/90/965291790.db2.gz OFEZEYRBUIMHCM-HYVNUMGLSA-N 1 3 366.937 2.792 20 0 FFADHO O=C(c1ccccn1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167973408 965462879 /nfs/dbraw/zinc/46/28/79/965462879.db2.gz JUFGWJCNLMYABV-IHWFROFDSA-N 1 3 368.525 2.681 20 0 FFADHO CN1CC[C@@H](N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000664836875 965575498 /nfs/dbraw/zinc/57/54/98/965575498.db2.gz RNQFZKYLQOGACP-WOJBJXKFSA-N 1 3 355.526 2.840 20 0 FFADHO CN1CC[C@@H](N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000664836873 965575611 /nfs/dbraw/zinc/57/56/11/965575611.db2.gz RNQFZKYLQOGACP-UXHICEINSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000894749922 965664707 /nfs/dbraw/zinc/66/47/07/965664707.db2.gz DQDLWYBHMNQVMN-OXQOHEQNSA-N 1 3 358.530 2.994 20 0 FFADHO CCCN1CCC([NH2+]CCCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000124533524 965821381 /nfs/dbraw/zinc/82/13/81/965821381.db2.gz ANZJDDCAVVGDTH-UHFFFAOYSA-N 1 3 358.574 2.971 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657294738 965974345 /nfs/dbraw/zinc/97/43/45/965974345.db2.gz KGLLKGMJBLDEQZ-CZYKHXBRSA-N 1 3 356.510 2.908 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657294738 965974354 /nfs/dbraw/zinc/97/43/54/965974354.db2.gz KGLLKGMJBLDEQZ-CZYKHXBRSA-N 1 3 356.510 2.908 20 0 FFADHO Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCC[C@@H]2C)s1 ZINC001087212539 966576076 /nfs/dbraw/zinc/57/60/76/966576076.db2.gz GCMKPLHAGHVPEN-VYDXJSESSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C[NH2+]CC2CC2)C1 ZINC001087213203 966592804 /nfs/dbraw/zinc/59/28/04/966592804.db2.gz JMTGDWRPWRFCTE-SYNHAJSKSA-N 1 3 353.526 2.826 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001087219865 966757157 /nfs/dbraw/zinc/75/71/57/966757157.db2.gz SHZGLALFHCQWBY-BEFAXECRSA-N 1 3 354.498 2.986 20 0 FFADHO COCCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593581 966937449 /nfs/dbraw/zinc/93/74/49/966937449.db2.gz AQCZKVRBMPCSFL-OAQYLSRUSA-N 1 3 370.493 2.568 20 0 FFADHO COCCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593581 966937456 /nfs/dbraw/zinc/93/74/56/966937456.db2.gz AQCZKVRBMPCSFL-OAQYLSRUSA-N 1 3 370.493 2.568 20 0 FFADHO c1cncc(CN2CCC3(CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)C2)c1 ZINC001167989344 967065424 /nfs/dbraw/zinc/06/54/24/967065424.db2.gz XSZZAXKWAFHMLO-CBQGHPETSA-N 1 3 366.553 2.995 20 0 FFADHO c1cncc(CN2CCC3(CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)C2)c1 ZINC001167989344 967065441 /nfs/dbraw/zinc/06/54/41/967065441.db2.gz XSZZAXKWAFHMLO-CBQGHPETSA-N 1 3 366.553 2.995 20 0 FFADHO CCc1cc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c2ccccc2[nH+]1 ZINC000126291839 967257545 /nfs/dbraw/zinc/25/75/45/967257545.db2.gz QTYIQVKKVYQSGO-IBGZPJMESA-N 1 3 352.482 2.540 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1Cc1cccc(C(C)C)n1 ZINC001087519363 967607347 /nfs/dbraw/zinc/60/73/47/967607347.db2.gz KRFUGBSBQUVCNK-XUVXKRRUSA-N 1 3 358.530 2.768 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001087519363 967607352 /nfs/dbraw/zinc/60/73/52/967607352.db2.gz KRFUGBSBQUVCNK-XUVXKRRUSA-N 1 3 358.530 2.768 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001087519363 967607358 /nfs/dbraw/zinc/60/73/58/967607358.db2.gz KRFUGBSBQUVCNK-XUVXKRRUSA-N 1 3 358.530 2.768 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000650728940 967621334 /nfs/dbraw/zinc/62/13/34/967621334.db2.gz WOWHQKCGIYFXSM-ICSRJNTNSA-N 1 3 358.530 2.949 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000685453787 968227394 /nfs/dbraw/zinc/22/73/94/968227394.db2.gz QXPNOSFSJJOKJM-UHFFFAOYSA-N 1 3 371.529 2.623 20 0 FFADHO CN(C[C@H](O)C[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CC1 ZINC000685573351 968312918 /nfs/dbraw/zinc/31/29/18/968312918.db2.gz JFGPTSYFIGNKMP-NHCUHLMSSA-N 1 3 359.558 2.504 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167001 968680398 /nfs/dbraw/zinc/68/03/98/968680398.db2.gz COBMROMQRVHSLY-ZIAGYGMSSA-N 1 3 351.457 2.599 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1cnccc1C ZINC001087750225 968894347 /nfs/dbraw/zinc/89/43/47/968894347.db2.gz ZGVJVLZIYQBATM-VQTJNVASSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H](NC/C(Cl)=C\Cl)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267486725 969123674 /nfs/dbraw/zinc/12/36/74/969123674.db2.gz JMZFNWCFCFZTKQ-PMMUYHNJSA-N 1 3 362.345 2.862 20 0 FFADHO C[C@@H](NC/C(Cl)=C\Cl)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267486725 969123684 /nfs/dbraw/zinc/12/36/84/969123684.db2.gz JMZFNWCFCFZTKQ-PMMUYHNJSA-N 1 3 362.345 2.862 20 0 FFADHO CC(C)(CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000659027763 969640999 /nfs/dbraw/zinc/64/09/99/969640999.db2.gz IWHCZEJXTCXDSB-SFHVURJKSA-N 1 3 360.502 2.734 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659032339 969647778 /nfs/dbraw/zinc/64/77/78/969647778.db2.gz FGFVQFYPMVOSDB-LJQANCHMSA-N 1 3 360.502 2.591 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659043390 969659907 /nfs/dbraw/zinc/65/99/07/969659907.db2.gz ZQOHNYGEQLASEJ-QFBILLFUSA-N 1 3 360.502 2.589 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659042673 969664338 /nfs/dbraw/zinc/66/43/38/969664338.db2.gz LWAIBOUXKPCVRP-ROUUACIJSA-N 1 3 360.502 2.589 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659042673 969664341 /nfs/dbraw/zinc/66/43/41/969664341.db2.gz LWAIBOUXKPCVRP-ROUUACIJSA-N 1 3 360.502 2.589 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N2CCCC2)c1 ZINC000659427709 969919149 /nfs/dbraw/zinc/91/91/49/969919149.db2.gz RVZXQEUKRDBRRO-RTBURBONSA-N 1 3 362.518 2.505 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001104676556 970084100 /nfs/dbraw/zinc/08/41/00/970084100.db2.gz POHYYXHOPYTPME-ZIFCJYIRSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)s1 ZINC001104676508 970085012 /nfs/dbraw/zinc/08/50/12/970085012.db2.gz NIVLBPMBPRSCBE-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)s1 ZINC001104676508 970085018 /nfs/dbraw/zinc/08/50/18/970085018.db2.gz NIVLBPMBPRSCBE-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001104680684 970091059 /nfs/dbraw/zinc/09/10/59/970091059.db2.gz UQYDQJFYVSXBAZ-QKNQBKEWSA-N 1 3 357.542 2.645 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001104691884 970111997 /nfs/dbraw/zinc/11/19/97/970111997.db2.gz YSIMSZDSRUULSE-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@@H](O)C[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000644520893 970450950 /nfs/dbraw/zinc/45/09/50/970450950.db2.gz QRDRCQOAJSIZPV-JOCHJYFZSA-N 1 3 353.510 2.869 20 0 FFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088121578 972921394 /nfs/dbraw/zinc/92/13/94/972921394.db2.gz NCRSXWWJLUFHHX-QRQLOZEOSA-N 1 3 352.482 2.802 20 0 FFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088121578 972921399 /nfs/dbraw/zinc/92/13/99/972921399.db2.gz NCRSXWWJLUFHHX-QRQLOZEOSA-N 1 3 352.482 2.802 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001088129674 972976651 /nfs/dbraw/zinc/97/66/51/972976651.db2.gz ZXJRRIXUGTTYPL-QHAWAJNXSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001088129674 972976658 /nfs/dbraw/zinc/97/66/58/972976658.db2.gz ZXJRRIXUGTTYPL-QHAWAJNXSA-N 1 3 370.541 2.625 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000896960500 973079330 /nfs/dbraw/zinc/07/93/30/973079330.db2.gz WHAONWFVKYJNOB-YLJYHZDGSA-N 1 3 361.530 2.828 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000896960500 973079344 /nfs/dbraw/zinc/07/93/44/973079344.db2.gz WHAONWFVKYJNOB-YLJYHZDGSA-N 1 3 361.530 2.828 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]3C2)CC1 ZINC001088149215 973146090 /nfs/dbraw/zinc/14/60/90/973146090.db2.gz RVHBGIZSPAYTAM-YADHBBJMSA-N 1 3 369.553 2.741 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]3C2)CC1 ZINC001088149215 973146093 /nfs/dbraw/zinc/14/60/93/973146093.db2.gz RVHBGIZSPAYTAM-YADHBBJMSA-N 1 3 369.553 2.741 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4Cl)C[C@H]3C2)C1 ZINC001088199985 973622992 /nfs/dbraw/zinc/62/29/92/973622992.db2.gz KYHFLMOFQSJRAE-NXHRZFHOSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4Cl)C[C@H]3C2)C1 ZINC001088199985 973622996 /nfs/dbraw/zinc/62/29/96/973622996.db2.gz KYHFLMOFQSJRAE-NXHRZFHOSA-N 1 3 361.917 2.572 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000665765019 974103084 /nfs/dbraw/zinc/10/30/84/974103084.db2.gz XNSXGGDMUMBYPG-HKUYNNGSSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000665765019 974103092 /nfs/dbraw/zinc/10/30/92/974103092.db2.gz XNSXGGDMUMBYPG-HKUYNNGSSA-N 1 3 373.545 2.590 20 0 FFADHO COc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2n1 ZINC000655720236 974185097 /nfs/dbraw/zinc/18/50/97/974185097.db2.gz QRJCLNPFEOJXQH-GOSISDBHSA-N 1 3 355.482 2.976 20 0 FFADHO Cc1ccc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC001027417019 974381941 /nfs/dbraw/zinc/38/19/41/974381941.db2.gz RZPWXEXFJLDGMG-BHIYHBOVSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC001027417019 974381951 /nfs/dbraw/zinc/38/19/51/974381951.db2.gz RZPWXEXFJLDGMG-BHIYHBOVSA-N 1 3 361.505 2.897 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652179500 974682787 /nfs/dbraw/zinc/68/27/87/974682787.db2.gz PWFNPCLDRXUWSY-MGPUTAFESA-N 1 3 370.472 2.604 20 0 FFADHO C[C@@]12COC[C@H]1CN(Cc1cc(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)ccc1F)C2 ZINC000661710180 974694497 /nfs/dbraw/zinc/69/44/97/974694497.db2.gz SFOIURBJXJIWHZ-YUVXSKOASA-N 1 3 374.500 2.762 20 0 FFADHO C[C@@]12COC[C@H]1CN(Cc1cc(C[N@H+]3C[C@H]4COC[C@]4(C)C3)ccc1F)C2 ZINC000661710180 974694502 /nfs/dbraw/zinc/69/45/02/974694502.db2.gz SFOIURBJXJIWHZ-YUVXSKOASA-N 1 3 374.500 2.762 20 0 FFADHO CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000662006292 975088182 /nfs/dbraw/zinc/08/81/82/975088182.db2.gz AQOGSLINYMAKHP-FQEVSTJZSA-N 1 3 358.530 2.860 20 0 FFADHO COc1cc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)ccc1OC(F)F ZINC000662248929 975379531 /nfs/dbraw/zinc/37/95/31/975379531.db2.gz LYIVXXXODFDFNN-OAHLLOKOSA-N 1 3 368.424 2.782 20 0 FFADHO CC(C)(C)n1nnc(CCN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271585 975394280 /nfs/dbraw/zinc/39/42/80/975394280.db2.gz XLDBWMFEKIXVFY-RBUKOAKNSA-N 1 3 370.545 2.643 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H]2C)c(C)n1 ZINC001088709680 975428099 /nfs/dbraw/zinc/42/80/99/975428099.db2.gz OXKNQWSRIZCYJT-UZLBHIALSA-N 1 3 363.465 2.739 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccn4cncc4c3)[C@H]2C)c(C)n1 ZINC001088709680 975428102 /nfs/dbraw/zinc/42/81/02/975428102.db2.gz OXKNQWSRIZCYJT-UZLBHIALSA-N 1 3 363.465 2.739 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccn4cncc4c3)[C@H]2C)c(C)n1 ZINC001088709680 975428106 /nfs/dbraw/zinc/42/81/06/975428106.db2.gz OXKNQWSRIZCYJT-UZLBHIALSA-N 1 3 363.465 2.739 20 0 FFADHO Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)c3ccn4cncc4c3)[C@H]2C)s1 ZINC001088709716 975429338 /nfs/dbraw/zinc/42/93/38/975429338.db2.gz RCYWIKSMJOVYGT-DYVFJYSZSA-N 1 3 369.494 2.800 20 0 FFADHO Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)c3ccn4cncc4c3)[C@H]2C)s1 ZINC001088709716 975429345 /nfs/dbraw/zinc/42/93/45/975429345.db2.gz RCYWIKSMJOVYGT-DYVFJYSZSA-N 1 3 369.494 2.800 20 0 FFADHO Cc1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)nc(C)n1 ZINC000662327110 975449456 /nfs/dbraw/zinc/44/94/56/975449456.db2.gz JNYXAIHPIANSLW-UHFFFAOYSA-N 1 3 354.502 2.663 20 0 FFADHO [NH3+]CC1(CCNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000653219015 1014271346 /nfs/dbraw/zinc/27/13/46/1014271346.db2.gz VHIJANYSZDEXDN-GOSISDBHSA-N 1 3 369.431 2.686 20 0 FFADHO CC(C)COC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369091 975632210 /nfs/dbraw/zinc/63/22/10/975632210.db2.gz WVFCURKTCZAJLO-LEWJYISDSA-N 1 3 360.542 2.912 20 0 FFADHO C[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000662638476 975774027 /nfs/dbraw/zinc/77/40/27/975774027.db2.gz QXYKGMLHTRTIMQ-LAUBAEHRSA-N 1 3 366.509 2.746 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663465780 975976232 /nfs/dbraw/zinc/97/62/32/975976232.db2.gz LKYANGCLIPGEJQ-FUHWJXTLSA-N 1 3 369.509 2.773 20 0 FFADHO CCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000663644713 976612094 /nfs/dbraw/zinc/61/20/94/976612094.db2.gz ZSVOEQZZLQXQHG-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000663644713 976612098 /nfs/dbraw/zinc/61/20/98/976612098.db2.gz ZSVOEQZZLQXQHG-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)Cn1cnc2c1c1ccccc1nc2NC(=N)NCCCC[NH3+] ZINC001167877335 977161855 /nfs/dbraw/zinc/16/18/55/977161855.db2.gz AHCKPKRORCMBFD-UHFFFAOYSA-N 1 3 353.474 2.916 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCC[NH+]2CCCCCC2)c1 ZINC000126206293 977874391 /nfs/dbraw/zinc/87/43/91/977874391.db2.gz AJIMIVQFRBSYCQ-INIZCTEOSA-N 1 3 363.502 2.887 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087457844 977904161 /nfs/dbraw/zinc/90/41/61/977904161.db2.gz VHEKEIUREUNLSH-WOJBJXKFSA-N 1 3 361.505 2.852 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000664125684 978049488 /nfs/dbraw/zinc/04/94/88/978049488.db2.gz DYZSBFZKBAVOPN-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664125684 978049492 /nfs/dbraw/zinc/04/94/92/978049492.db2.gz DYZSBFZKBAVOPN-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CNCc1ccccc1F)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268704775 978371318 /nfs/dbraw/zinc/37/13/18/978371318.db2.gz RSLHBJPTRWGPJY-DBVUQKKJSA-N 1 3 369.484 2.765 20 0 FFADHO C[C@@H](CNCc1ccccc1F)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268704775 978371326 /nfs/dbraw/zinc/37/13/26/978371326.db2.gz RSLHBJPTRWGPJY-DBVUQKKJSA-N 1 3 369.484 2.765 20 0 FFADHO Cc1cccc(CN2C[C@@H]3CCN(C(=O)[C@H](C4CC4)[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001076085761 979094619 /nfs/dbraw/zinc/09/46/19/979094619.db2.gz AXUAXABQJGGVPC-BDTNDASRSA-N 1 3 367.537 2.902 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001076083847 979101867 /nfs/dbraw/zinc/10/18/67/979101867.db2.gz UHCLVJFNTALXKR-HBMCJLEFSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001076083847 979101869 /nfs/dbraw/zinc/10/18/69/979101869.db2.gz UHCLVJFNTALXKR-HBMCJLEFSA-N 1 3 359.558 2.974 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@H](NC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001168368320 980058823 /nfs/dbraw/zinc/05/88/23/980058823.db2.gz ICVKRKPOMPUXON-WDSOQIARSA-N 1 3 361.530 2.872 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC001029966532 980161165 /nfs/dbraw/zinc/16/11/65/980161165.db2.gz WUWFZYYXVOUDFT-VQIMIIECSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)Cc3ccccc3F)CC2)CC[N@H+]1C ZINC001029966532 980161172 /nfs/dbraw/zinc/16/11/72/980161172.db2.gz WUWFZYYXVOUDFT-VQIMIIECSA-N 1 3 361.505 2.836 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc(CCN3CCSCC3)cc1)C2 ZINC000904320455 980242367 /nfs/dbraw/zinc/24/23/67/980242367.db2.gz HUQLQLBLOWBALU-LNLFQRSKSA-N 1 3 374.554 2.621 20 0 FFADHO CCOc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1O ZINC000668490265 980516162 /nfs/dbraw/zinc/51/61/62/980516162.db2.gz UIMZZYMWAMAZLY-IBGZPJMESA-N 1 3 356.466 2.647 20 0 FFADHO CCOc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1O ZINC000668490265 980516169 /nfs/dbraw/zinc/51/61/69/980516169.db2.gz UIMZZYMWAMAZLY-IBGZPJMESA-N 1 3 356.466 2.647 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC000906477226 980670146 /nfs/dbraw/zinc/67/01/46/980670146.db2.gz AWQKZGZEHSBMKC-LJQANCHMSA-N 1 3 372.557 2.669 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC000906477226 980670152 /nfs/dbraw/zinc/67/01/52/980670152.db2.gz AWQKZGZEHSBMKC-LJQANCHMSA-N 1 3 372.557 2.669 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654375292 1014689819 /nfs/dbraw/zinc/68/98/19/1014689819.db2.gz ZEXVVAUHAMTCGM-NHCUHLMSSA-N 1 3 370.541 2.751 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654375292 1014689823 /nfs/dbraw/zinc/68/98/23/1014689823.db2.gz ZEXVVAUHAMTCGM-NHCUHLMSSA-N 1 3 370.541 2.751 20 0 FFADHO Cc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)nc1 ZINC001211915516 980879350 /nfs/dbraw/zinc/87/93/50/980879350.db2.gz JCURYJRYMSASHS-QGZVFWFLSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)nc1 ZINC001211915516 980879356 /nfs/dbraw/zinc/87/93/56/980879356.db2.gz JCURYJRYMSASHS-QGZVFWFLSA-N 1 3 361.449 2.629 20 0 FFADHO CC(=O)c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000126113661 981184532 /nfs/dbraw/zinc/18/45/32/981184532.db2.gz WCPDGQGBXLVJKY-UHFFFAOYSA-N 1 3 358.486 2.569 20 0 FFADHO CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)CC1 ZINC001272090483 981387996 /nfs/dbraw/zinc/38/79/96/981387996.db2.gz JTVSFDALAWRTDD-HOTGVXAUSA-N 1 3 361.452 2.736 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000654541029 1014760557 /nfs/dbraw/zinc/76/05/57/1014760557.db2.gz VWWVQNQWPUSGDR-UHFFFAOYSA-N 1 3 360.546 2.807 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@H]2C)cc1 ZINC001088655714 982205549 /nfs/dbraw/zinc/20/55/49/982205549.db2.gz NNDNRTPOFJRKPL-QUCCMNQESA-N 1 3 355.526 2.950 20 0 FFADHO Cc1noc(C[C@@H]2CCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC000897579253 982313174 /nfs/dbraw/zinc/31/31/74/982313174.db2.gz RWSJWOGYBBIJOJ-SFHVURJKSA-N 1 3 358.486 2.773 20 0 FFADHO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000796443764 1014835923 /nfs/dbraw/zinc/83/59/23/1014835923.db2.gz LKJYUSZBMXSGEY-SIKLNZKXSA-N 1 3 370.493 2.820 20 0 FFADHO COC(=O)C1=C(C)O[C@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000796443764 1014835937 /nfs/dbraw/zinc/83/59/37/1014835937.db2.gz LKJYUSZBMXSGEY-SIKLNZKXSA-N 1 3 370.493 2.820 20 0 FFADHO C[C@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000760484439 982433077 /nfs/dbraw/zinc/43/30/77/982433077.db2.gz FKCCCYLQYSARAI-SFHVURJKSA-N 1 3 374.598 2.799 20 0 FFADHO CC(C)COCC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436735 984537983 /nfs/dbraw/zinc/53/79/83/984537983.db2.gz MVMLMEYPWPZZSY-UYAOXDASSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)COCC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436735 984537987 /nfs/dbraw/zinc/53/79/87/984537987.db2.gz MVMLMEYPWPZZSY-UYAOXDASSA-N 1 3 365.562 2.504 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438915 984540136 /nfs/dbraw/zinc/54/01/36/984540136.db2.gz MUTVILZRTZJEJZ-SVFBPWRDSA-N 1 3 365.562 2.504 20 0 FFADHO COCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438915 984540137 /nfs/dbraw/zinc/54/01/37/984540137.db2.gz MUTVILZRTZJEJZ-SVFBPWRDSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@]1(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CCC[NH2+]C1 ZINC000669483624 984651816 /nfs/dbraw/zinc/65/18/16/984651816.db2.gz FARFHVRPMTXAKC-TZIWHRDSSA-N 1 3 358.530 2.903 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)CN4CC[C@H](C)C4)CCC[C@@H]23)c1 ZINC001107546870 984673205 /nfs/dbraw/zinc/67/32/05/984673205.db2.gz ROFNKBRIXZFRAA-UCNVEGJOSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)CN4CC[C@H](C)C4)CCC[C@@H]23)c1 ZINC001107546870 984673206 /nfs/dbraw/zinc/67/32/06/984673206.db2.gz ROFNKBRIXZFRAA-UCNVEGJOSA-N 1 3 370.541 2.593 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C[C@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001088952042 985582886 /nfs/dbraw/zinc/58/28/86/985582886.db2.gz VAWQHQQCMVLIAB-QRQLOZEOSA-N 1 3 365.562 2.501 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CCN1CCOC1CCC1 ZINC001089061101 986145278 /nfs/dbraw/zinc/14/52/78/986145278.db2.gz XZOYZEAQRBWTOX-UZLBHIALSA-N 1 3 359.514 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000999210789 986405486 /nfs/dbraw/zinc/40/54/86/986405486.db2.gz VMLAPJHMHVMZMD-CEXWTWQISA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000999210789 986405491 /nfs/dbraw/zinc/40/54/91/986405491.db2.gz VMLAPJHMHVMZMD-CEXWTWQISA-N 1 3 365.468 2.776 20 0 FFADHO COc1ccc([C@@H]2C[C@H](N3CCN(CC[NH+]4CCCC4)CC3)CCO2)cc1 ZINC001168664651 986964024 /nfs/dbraw/zinc/96/40/24/986964024.db2.gz IRQXSQBLESAQMN-IRLDBZIGSA-N 1 3 373.541 2.629 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN([C@@H]3CCc4c3cccc4F)CC2)CC[N@@H+]1C ZINC001002860161 987554060 /nfs/dbraw/zinc/55/40/60/987554060.db2.gz IPKCXWPETNGYRP-AKCHCHLHSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN([C@@H]3CCc4c3cccc4F)CC2)CC[N@H+]1C ZINC001002860161 987554067 /nfs/dbraw/zinc/55/40/67/987554067.db2.gz IPKCXWPETNGYRP-AKCHCHLHSA-N 1 3 359.489 2.734 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC001106201092 987636703 /nfs/dbraw/zinc/63/67/03/987636703.db2.gz UGHYYKVUPNEGKR-MCIONIFRSA-N 1 3 368.324 2.669 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495712 987766190 /nfs/dbraw/zinc/76/61/90/987766190.db2.gz OGFRWYOQIJGSBT-YZBXUTEPSA-N 1 3 365.562 2.811 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495712 987766197 /nfs/dbraw/zinc/76/61/97/987766197.db2.gz OGFRWYOQIJGSBT-YZBXUTEPSA-N 1 3 365.562 2.811 20 0 FFADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1c(F)cccc1F ZINC001106622975 988525975 /nfs/dbraw/zinc/52/59/75/988525975.db2.gz ANEIKMAIPKVHOG-RBSFLKMASA-N 1 3 353.457 2.662 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC000922389709 988538572 /nfs/dbraw/zinc/53/85/72/988538572.db2.gz VSBNSVFRWCAGGZ-JBPLPALLSA-N 1 3 366.509 2.713 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC000922389709 988538578 /nfs/dbraw/zinc/53/85/78/988538578.db2.gz VSBNSVFRWCAGGZ-JBPLPALLSA-N 1 3 366.509 2.713 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922386823 988543869 /nfs/dbraw/zinc/54/38/69/988543869.db2.gz JBBBHBXERCWLQC-YSFYHYPLSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922386823 988543879 /nfs/dbraw/zinc/54/38/79/988543879.db2.gz JBBBHBXERCWLQC-YSFYHYPLSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1cccc(CCC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001106665765 988607699 /nfs/dbraw/zinc/60/76/99/988607699.db2.gz BAQKIORTQHHQPE-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCc1ccccc1 ZINC001106665116 988607730 /nfs/dbraw/zinc/60/77/30/988607730.db2.gz IMLAJEWVINBHPX-SVFBPWRDSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001106672038 988619907 /nfs/dbraw/zinc/61/99/07/988619907.db2.gz ATMRXYAZRXRIDC-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001106705249 988727849 /nfs/dbraw/zinc/72/78/49/988727849.db2.gz YUCKJYGRVSHYLT-BHIYHBOVSA-N 1 3 366.509 2.756 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC001106729219 988799751 /nfs/dbraw/zinc/79/97/51/988799751.db2.gz NABZVWBDESOJCX-OAGGEKHMSA-N 1 3 363.468 2.886 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C1CC1 ZINC000673773541 989244406 /nfs/dbraw/zinc/24/44/06/989244406.db2.gz RHBOOFAVGFMWQA-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C1CC1 ZINC000673773541 989244417 /nfs/dbraw/zinc/24/44/17/989244417.db2.gz RHBOOFAVGFMWQA-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C/C=C\c3ccccc3F)CC2)CC1 ZINC000674238996 989615590 /nfs/dbraw/zinc/61/55/90/989615590.db2.gz JJVZEYGXOPPFFS-XQRVVYSFSA-N 1 3 359.489 2.904 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001033834046 989746393 /nfs/dbraw/zinc/74/63/93/989746393.db2.gz MYPZCAHQTDAKRW-BHIYHBOVSA-N 1 3 361.505 2.631 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001033834046 989746398 /nfs/dbraw/zinc/74/63/98/989746398.db2.gz MYPZCAHQTDAKRW-BHIYHBOVSA-N 1 3 361.505 2.631 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000675113694 990053022 /nfs/dbraw/zinc/05/30/22/990053022.db2.gz ODSVNQOYEDXECF-RXVVDRJESA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000675113694 990053028 /nfs/dbraw/zinc/05/30/28/990053028.db2.gz ODSVNQOYEDXECF-RXVVDRJESA-N 1 3 370.541 2.695 20 0 FFADHO COc1ccc(OC)c([C@H](O)CNCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000917006465 990091575 /nfs/dbraw/zinc/09/15/75/990091575.db2.gz VWBHMYGVOVUFFO-OAQYLSRUSA-N 1 3 370.493 2.775 20 0 FFADHO COc1ccc(OC)c([C@H](O)CNCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000917006465 990091586 /nfs/dbraw/zinc/09/15/86/990091586.db2.gz VWBHMYGVOVUFFO-OAQYLSRUSA-N 1 3 370.493 2.775 20 0 FFADHO O=C1OCCN1CCC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000766128023 990236087 /nfs/dbraw/zinc/23/60/87/990236087.db2.gz HXRNZPLDZCTIHJ-UXHICEINSA-N 1 3 357.498 2.815 20 0 FFADHO O=C1OCCN1CCC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000766128023 990236093 /nfs/dbraw/zinc/23/60/93/990236093.db2.gz HXRNZPLDZCTIHJ-UXHICEINSA-N 1 3 357.498 2.815 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923179579 990935075 /nfs/dbraw/zinc/93/50/75/990935075.db2.gz SMLFWGPOFYWSRS-HXUWFJFHSA-N 1 3 373.541 2.658 20 0 FFADHO COC(=O)C1(C)CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001168762906 991227850 /nfs/dbraw/zinc/22/78/50/991227850.db2.gz ZVISBHCDCSJIMX-UHFFFAOYSA-N 1 3 352.519 2.589 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC001106910200 991489056 /nfs/dbraw/zinc/48/90/56/991489056.db2.gz RYLZAIBRFPTDHN-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1c1ccccc1F ZINC001079305053 992005745 /nfs/dbraw/zinc/00/57/45/992005745.db2.gz ISXZMQBZBGQORB-PKOBYXMFSA-N 1 3 361.505 2.994 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001079311004 992012538 /nfs/dbraw/zinc/01/25/38/992012538.db2.gz PFSLEVIMNCIGDJ-SXLOBPIMSA-N 1 3 361.505 2.850 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000414727083 992708059 /nfs/dbraw/zinc/70/80/59/992708059.db2.gz ADVLHLXKEOMNIX-DLBZAZTESA-N 1 3 359.518 2.528 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188862 992807808 /nfs/dbraw/zinc/80/78/08/992807808.db2.gz VLRZGWGQOCJEKN-UIFIKXQLSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188862 992807816 /nfs/dbraw/zinc/80/78/16/992807816.db2.gz VLRZGWGQOCJEKN-UIFIKXQLSA-N 1 3 355.526 2.540 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1C ZINC001080329892 992937766 /nfs/dbraw/zinc/93/77/66/992937766.db2.gz VXQUEGRTRIHACC-YXYSEUPNSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1C ZINC001080329892 992937772 /nfs/dbraw/zinc/93/77/72/992937772.db2.gz VXQUEGRTRIHACC-YXYSEUPNSA-N 1 3 357.542 2.970 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383377 993000411 /nfs/dbraw/zinc/00/04/11/993000411.db2.gz BOBTTZNVNPPJGK-IIBYNOLFSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1C)N1CCCCCC1 ZINC001080554067 993160289 /nfs/dbraw/zinc/16/02/89/993160289.db2.gz ANDFZXRPCHOWEQ-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1C)N1CCCCCC1 ZINC001080554067 993160292 /nfs/dbraw/zinc/16/02/92/993160292.db2.gz ANDFZXRPCHOWEQ-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNC/C(Cl)=C/Cl ZINC001107030717 993215941 /nfs/dbraw/zinc/21/59/41/993215941.db2.gz SZWUBPWNKUDGDF-UBPCNIQCSA-N 1 3 362.345 2.866 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC001107036210 993285280 /nfs/dbraw/zinc/28/52/80/993285280.db2.gz IRJIFPQIIGMQHA-KFWWJZLASA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001107038613 993290298 /nfs/dbraw/zinc/29/02/98/993290298.db2.gz ABXODQSMSLYFMA-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO Cc1ccccc1CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042231 993295156 /nfs/dbraw/zinc/29/51/56/993295156.db2.gz BRXPUYYMIRSUTM-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)[C@H](C)C1 ZINC001107042718 993296295 /nfs/dbraw/zinc/29/62/95/993296295.db2.gz ZFQGGLWDHFNVDT-QINHECLXSA-N 1 3 361.505 2.837 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789037 993375108 /nfs/dbraw/zinc/37/51/08/993375108.db2.gz NZCYPXVQNYMNNJ-OXQOHEQNSA-N 1 3 353.510 2.596 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080934802 993489873 /nfs/dbraw/zinc/48/98/73/993489873.db2.gz BNXWLVIRJRHEMF-TYCQWZJGSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080934802 993489876 /nfs/dbraw/zinc/48/98/76/993489876.db2.gz BNXWLVIRJRHEMF-TYCQWZJGSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@H]1CN(CCC(=O)N2CCc3sccc3C2)CCN1c1cc[nH+]cc1 ZINC000880260346 1015792629 /nfs/dbraw/zinc/79/26/29/1015792629.db2.gz BIVNHRPKURKEQU-INIZCTEOSA-N 1 3 370.522 2.629 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131464679 994278805 /nfs/dbraw/zinc/27/88/05/994278805.db2.gz ZORURQGJWWLXQO-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001131515704 994344967 /nfs/dbraw/zinc/34/49/67/994344967.db2.gz ZGQLNZQNLYMFOY-AABGKKOBSA-N 1 3 367.578 2.604 20 0 FFADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001131597256 994445827 /nfs/dbraw/zinc/44/58/27/994445827.db2.gz SUXDSSJUDVCKAH-QUCCMNQESA-N 1 3 367.578 2.750 20 0 FFADHO Cc1ccc(-c2noc([C@H](C)N3CCN(C[C@@H]4CC[C@H]([NH3+])C4)CC3)n2)cc1 ZINC000903442693 1015895372 /nfs/dbraw/zinc/89/53/72/1015895372.db2.gz YOTHTAMNKULLGF-SCTDSRPQSA-N 1 3 369.513 2.851 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558490 994931004 /nfs/dbraw/zinc/93/10/04/994931004.db2.gz TYJQYLZHYGLSLG-HYVNUMGLSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082558490 994931012 /nfs/dbraw/zinc/93/10/12/994931012.db2.gz TYJQYLZHYGLSLG-HYVNUMGLSA-N 1 3 364.559 2.651 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001082561586 994941622 /nfs/dbraw/zinc/94/16/22/994941622.db2.gz CJPJLZYFDYEJDP-BFYDXBDKSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1cc(F)ccc1F ZINC001082720006 995350863 /nfs/dbraw/zinc/35/08/63/995350863.db2.gz BERBNVPKOCTTPI-BIENJYKASA-N 1 3 365.468 2.804 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001082742564 995400535 /nfs/dbraw/zinc/40/05/35/995400535.db2.gz KEMDTJURNYYOQD-DBXWQHBBSA-N 1 3 357.542 2.570 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC001082943280 995881782 /nfs/dbraw/zinc/88/17/82/995881782.db2.gz BPVPJNDKRQHMGW-CDHQVMDDSA-N 1 3 358.530 2.509 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001082943413 995881909 /nfs/dbraw/zinc/88/19/09/995881909.db2.gz HXOIIDKAQMHRBE-ZMYBRWDISA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001084355369 996483340 /nfs/dbraw/zinc/48/33/40/996483340.db2.gz UNTYTZADPRXLPT-KREFBHGWSA-N 1 3 367.537 2.937 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)CC[N@H+]1C ZINC001084355369 996483342 /nfs/dbraw/zinc/48/33/42/996483342.db2.gz UNTYTZADPRXLPT-KREFBHGWSA-N 1 3 367.537 2.937 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21)[NH+](C)C ZINC001084429136 996528631 /nfs/dbraw/zinc/52/86/31/996528631.db2.gz OCLDZCYZKQNQEF-QRVBRYPASA-N 1 3 363.571 2.800 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084475494 996617191 /nfs/dbraw/zinc/61/71/91/996617191.db2.gz PNKYFVSLWUYJSA-BHIFYINESA-N 1 3 369.553 2.882 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084475494 996617193 /nfs/dbraw/zinc/61/71/93/996617193.db2.gz PNKYFVSLWUYJSA-BHIFYINESA-N 1 3 369.553 2.882 20 0 FFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084545405 996665763 /nfs/dbraw/zinc/66/57/63/996665763.db2.gz IVQNZKQRCAMAPO-NJYVYQBISA-N 1 3 357.542 2.894 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1C ZINC001084630649 996736825 /nfs/dbraw/zinc/73/68/25/996736825.db2.gz OCZYNQMALDXTMW-NHCUHLMSSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084662790 996774712 /nfs/dbraw/zinc/77/47/12/996774712.db2.gz XBKAJMBUVHSKGX-UCNVEGJOSA-N 1 3 367.537 2.939 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084662790 996774718 /nfs/dbraw/zinc/77/47/18/996774718.db2.gz XBKAJMBUVHSKGX-UCNVEGJOSA-N 1 3 367.537 2.939 20 0 FFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663283 996795057 /nfs/dbraw/zinc/79/50/57/996795057.db2.gz VPVPNEQTGVFNKZ-HLIPFELVSA-N 1 3 353.526 2.778 20 0 FFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663283 996795063 /nfs/dbraw/zinc/79/50/63/996795063.db2.gz VPVPNEQTGVFNKZ-HLIPFELVSA-N 1 3 353.526 2.778 20 0 FFADHO CCOc1cc(CN(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)ccc1OC(F)F ZINC000903723988 1016156189 /nfs/dbraw/zinc/15/61/89/1016156189.db2.gz KKPUYGUHULWDGJ-KXBFYZLASA-N 1 3 370.440 2.887 20 0 FFADHO c1cc2c(c([C@H]3CCCN3C[C@H]3CC4(CO3)CC[NH2+]CC4)c1)OCCO2 ZINC000903726873 1016157529 /nfs/dbraw/zinc/15/75/29/1016157529.db2.gz OOMVSQVBPOYJSP-SJLPKXTDSA-N 1 3 358.482 2.753 20 0 FFADHO [NH3+]CC1(c2ccccc2)CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000903794414 1016203644 /nfs/dbraw/zinc/20/36/44/1016203644.db2.gz UIXCENSZJMMEGD-UHFFFAOYSA-N 1 3 363.505 2.564 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962538 998372708 /nfs/dbraw/zinc/37/27/08/998372708.db2.gz UFMCVCMWJZVIKK-NRSPTQNISA-N 1 3 370.541 2.687 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962538 998372716 /nfs/dbraw/zinc/37/27/16/998372716.db2.gz UFMCVCMWJZVIKK-NRSPTQNISA-N 1 3 370.541 2.687 20 0 FFADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273247912 998461505 /nfs/dbraw/zinc/46/15/05/998461505.db2.gz AXXVWTIVBNOMCC-NQIIRXRSSA-N 1 3 358.530 2.561 20 0 FFADHO CC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273247912 998461508 /nfs/dbraw/zinc/46/15/08/998461508.db2.gz AXXVWTIVBNOMCC-NQIIRXRSSA-N 1 3 358.530 2.561 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000677583368 1016242524 /nfs/dbraw/zinc/24/25/24/1016242524.db2.gz DFMXINLUDPQXIC-HSALFYBXSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085074830 998862876 /nfs/dbraw/zinc/86/28/76/998862876.db2.gz DZMKSDWGZDEMMJ-ZCKKZRQSSA-N 1 3 367.537 2.964 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085074830 998862881 /nfs/dbraw/zinc/86/28/81/998862881.db2.gz DZMKSDWGZDEMMJ-ZCKKZRQSSA-N 1 3 367.537 2.964 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1)N1CCCCC1 ZINC001085198269 999141718 /nfs/dbraw/zinc/14/17/18/999141718.db2.gz LIIIIRFELJSPMI-GUDVDZBRSA-N 1 3 365.562 2.695 20 0 FFADHO COc1ccc(CC2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)cc1 ZINC000903889854 1016290504 /nfs/dbraw/zinc/29/05/04/1016290504.db2.gz WOOXCQOJIHZDRG-HXUWFJFHSA-N 1 3 370.541 2.809 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085255272 999270278 /nfs/dbraw/zinc/27/02/78/999270278.db2.gz VYYSYMFNZOTSEN-VAMGGRTRSA-N 1 3 358.530 2.719 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085255272 999270285 /nfs/dbraw/zinc/27/02/85/999270285.db2.gz VYYSYMFNZOTSEN-VAMGGRTRSA-N 1 3 358.530 2.719 20 0 FFADHO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H](CN)Cc2cnn(C)c2C)cc1 ZINC000903932609 1016312649 /nfs/dbraw/zinc/31/26/49/1016312649.db2.gz SVYGJVLWHHIDNM-TZIWHRDSSA-N 1 3 370.541 2.952 20 0 FFADHO COc1ccc(C[C@H]2CCCC[N@H+]2C[C@@H](CN)Cc2cnn(C)c2C)cc1 ZINC000903932609 1016312651 /nfs/dbraw/zinc/31/26/51/1016312651.db2.gz SVYGJVLWHHIDNM-TZIWHRDSSA-N 1 3 370.541 2.952 20 0 FFADHO COc1ccc(C[C@H]2CCCCN2C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903932609 1016312656 /nfs/dbraw/zinc/31/26/56/1016312656.db2.gz SVYGJVLWHHIDNM-TZIWHRDSSA-N 1 3 370.541 2.952 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC001085352368 999406210 /nfs/dbraw/zinc/40/62/10/999406210.db2.gz DHIYWNYCLRVKDI-VAMGGRTRSA-N 1 3 358.530 2.862 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)CC1 ZINC001085380439 999426248 /nfs/dbraw/zinc/42/62/48/999426248.db2.gz ZBILKKGUVURBIV-WOJBJXKFSA-N 1 3 358.530 2.719 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccncc2Cl)C1 ZINC001085393851 999454436 /nfs/dbraw/zinc/45/44/36/999454436.db2.gz MWEDJUNYFAOXPG-ZTFGCOKTSA-N 1 3 364.921 2.594 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccncc2Cl)C1 ZINC001085393851 999454438 /nfs/dbraw/zinc/45/44/38/999454438.db2.gz MWEDJUNYFAOXPG-ZTFGCOKTSA-N 1 3 364.921 2.594 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181314362 999843289 /nfs/dbraw/zinc/84/32/89/999843289.db2.gz COKCNUPYUFTCAG-GOSISDBHSA-N 1 3 360.546 2.927 20 0 FFADHO COc1ccc(CCN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC001169108862 1000025585 /nfs/dbraw/zinc/02/55/85/1000025585.db2.gz DIAYUAVLXQIZSG-MZADTFQBSA-N 1 3 357.542 2.917 20 0 FFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171300483 1000853335 /nfs/dbraw/zinc/85/33/35/1000853335.db2.gz BHFWOXVVLWRZIO-UHFFFAOYSA-N 1 3 365.481 2.970 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001109719387 1000907068 /nfs/dbraw/zinc/90/70/68/1000907068.db2.gz HERZVPYQXUXMGF-HKBOAZHASA-N 1 3 373.541 2.551 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001109719697 1000907341 /nfs/dbraw/zinc/90/73/41/1000907341.db2.gz LVXAHHKHOWFKDA-HKBOAZHASA-N 1 3 373.541 2.552 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@]3(C)C2)c1 ZINC001091683348 1001051166 /nfs/dbraw/zinc/05/11/66/1001051166.db2.gz MQTDYOGYTQHWRH-KIQACKJLSA-N 1 3 373.516 2.755 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@]3(C)C2)c1 ZINC001091683348 1001051172 /nfs/dbraw/zinc/05/11/72/1001051172.db2.gz MQTDYOGYTQHWRH-KIQACKJLSA-N 1 3 373.516 2.755 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091720760 1001140041 /nfs/dbraw/zinc/14/00/41/1001140041.db2.gz BSIJUZBZEDDCMO-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091720760 1001140045 /nfs/dbraw/zinc/14/00/45/1001140045.db2.gz BSIJUZBZEDDCMO-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)C1 ZINC001109976262 1001223160 /nfs/dbraw/zinc/22/31/60/1001223160.db2.gz ZHKLEZHFRUPOLI-YHELAOLJSA-N 1 3 371.525 2.519 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)C1 ZINC001109976262 1001223164 /nfs/dbraw/zinc/22/31/64/1001223164.db2.gz ZHKLEZHFRUPOLI-YHELAOLJSA-N 1 3 371.525 2.519 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC001086882957 1001301104 /nfs/dbraw/zinc/30/11/04/1001301104.db2.gz XNWZSJAGMFSIST-NLWGTHIKSA-N 1 3 358.530 2.639 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(Cl)Cl)C1 ZINC001112585807 1001536592 /nfs/dbraw/zinc/53/65/92/1001536592.db2.gz RIHUSAIRMGDIFX-YOEHRIQHSA-N 1 3 362.345 2.864 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C(C)C)[C@H](OCC)C1 ZINC001087096242 1001783831 /nfs/dbraw/zinc/78/38/31/1001783831.db2.gz DQFSCUHKURSXKV-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001091780323 1001902867 /nfs/dbraw/zinc/90/28/67/1001902867.db2.gz FXBHJIRCEGYSSO-SJBKTWHCSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001091780323 1001902880 /nfs/dbraw/zinc/90/28/80/1001902880.db2.gz FXBHJIRCEGYSSO-SJBKTWHCSA-N 1 3 357.542 2.924 20 0 FFADHO C[C@H](NCC(C)(C)C[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790747421 1002480192 /nfs/dbraw/zinc/48/01/92/1002480192.db2.gz DGZFKSDZFPSDCI-PZJWPPBQSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001095529051 1016641367 /nfs/dbraw/zinc/64/13/67/1016641367.db2.gz BKVQWKHYJDIUSY-WOZUAGRISA-N 1 3 355.526 2.886 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001095529051 1016641369 /nfs/dbraw/zinc/64/13/69/1016641369.db2.gz BKVQWKHYJDIUSY-WOZUAGRISA-N 1 3 355.526 2.886 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN2Cc2ccc(C(F)F)cc2)C1=O ZINC001276262233 1016647890 /nfs/dbraw/zinc/64/78/90/1016647890.db2.gz BUOJXJMTYAUIKE-LJQANCHMSA-N 1 3 351.441 2.753 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001095533817 1016664553 /nfs/dbraw/zinc/66/45/53/1016664553.db2.gz OTJHERQLDCRTLH-HNJRGHQBSA-N 1 3 363.546 2.540 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001095533817 1016664562 /nfs/dbraw/zinc/66/45/62/1016664562.db2.gz OTJHERQLDCRTLH-HNJRGHQBSA-N 1 3 363.546 2.540 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001186196984 1003219049 /nfs/dbraw/zinc/21/90/49/1003219049.db2.gz ZSBQNTIROAZDDM-ILZDJORESA-N 1 3 361.505 2.709 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001186196984 1003219055 /nfs/dbraw/zinc/21/90/55/1003219055.db2.gz ZSBQNTIROAZDDM-ILZDJORESA-N 1 3 361.505 2.709 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C)C2)c1 ZINC001092621223 1003321429 /nfs/dbraw/zinc/32/14/29/1003321429.db2.gz VYCUTCAVNPWLGZ-PSBWJHGTSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](C)C2)c1 ZINC001092621223 1003321437 /nfs/dbraw/zinc/32/14/37/1003321437.db2.gz VYCUTCAVNPWLGZ-PSBWJHGTSA-N 1 3 361.505 2.658 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086620086 1003557916 /nfs/dbraw/zinc/55/79/16/1003557916.db2.gz XSPQVNYLAGEDFK-SESVDKBCSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086620086 1003557922 /nfs/dbraw/zinc/55/79/22/1003557922.db2.gz XSPQVNYLAGEDFK-SESVDKBCSA-N 1 3 355.526 2.879 20 0 FFADHO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775783886 1004320208 /nfs/dbraw/zinc/32/02/08/1004320208.db2.gz XOAHUBUPRLTKMW-PXNSSMCTSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775783886 1004320214 /nfs/dbraw/zinc/32/02/14/1004320214.db2.gz XOAHUBUPRLTKMW-PXNSSMCTSA-N 1 3 358.530 2.887 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cnc4nccnc4c3)c3ccccc23)CC1 ZINC001170528079 1004628358 /nfs/dbraw/zinc/62/83/58/1004628358.db2.gz GMQZXAZGCHACBG-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO CCCCCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743438 1004720240 /nfs/dbraw/zinc/72/02/40/1004720240.db2.gz ZGYZCEOOFMRPJQ-LMMKCTJWSA-N 1 3 361.530 2.973 20 0 FFADHO CCCCCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743438 1004720242 /nfs/dbraw/zinc/72/02/42/1004720242.db2.gz ZGYZCEOOFMRPJQ-LMMKCTJWSA-N 1 3 361.530 2.973 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1)N(C)C ZINC001488962637 1005387349 /nfs/dbraw/zinc/38/73/49/1005387349.db2.gz RZOITYTXEVBLKM-YXJHDRRASA-N 1 3 366.937 2.696 20 0 FFADHO CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1CN(C)C)C2 ZINC001110612809 1005711966 /nfs/dbraw/zinc/71/19/66/1005711966.db2.gz SMIMMEHSYHVCFA-ZACQAIPSSA-N 1 3 365.543 2.570 20 0 FFADHO CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1CN(C)C)C2 ZINC001110612809 1005711968 /nfs/dbraw/zinc/71/19/68/1005711968.db2.gz SMIMMEHSYHVCFA-ZACQAIPSSA-N 1 3 365.543 2.570 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001110617829 1005780288 /nfs/dbraw/zinc/78/02/88/1005780288.db2.gz JCEKHHRDNOJMNP-MKXGPGLRSA-N 1 3 351.510 2.888 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001110617829 1005780291 /nfs/dbraw/zinc/78/02/91/1005780291.db2.gz JCEKHHRDNOJMNP-MKXGPGLRSA-N 1 3 351.510 2.888 20 0 FFADHO CCOC(=O)NC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000850513045 1005819503 /nfs/dbraw/zinc/81/95/03/1005819503.db2.gz CZUWMHJSIOQVEP-UHFFFAOYSA-N 1 3 374.529 2.941 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097086032 1017013693 /nfs/dbraw/zinc/01/36/93/1017013693.db2.gz UIEWQGJKOBVMKF-MHTWAQMVSA-N 1 3 353.510 2.558 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000813824647 1006044450 /nfs/dbraw/zinc/04/44/50/1006044450.db2.gz ZTUYYOWIQWHCGE-PLMTUMEDSA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000813824647 1006044465 /nfs/dbraw/zinc/04/44/65/1006044465.db2.gz ZTUYYOWIQWHCGE-PLMTUMEDSA-N 1 3 361.505 2.978 20 0 FFADHO C[NH+](C)CCC[C@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 ZINC000852761634 1006170572 /nfs/dbraw/zinc/17/05/72/1006170572.db2.gz YQWGBEUNXIWDCM-SFHVURJKSA-N 1 3 369.550 2.676 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001110660367 1006290942 /nfs/dbraw/zinc/29/09/42/1006290942.db2.gz BWGZDWULTSMLQS-WTGUMLROSA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001110660367 1006290953 /nfs/dbraw/zinc/29/09/53/1006290953.db2.gz BWGZDWULTSMLQS-WTGUMLROSA-N 1 3 365.562 2.501 20 0 FFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C2 ZINC001110661455 1006302575 /nfs/dbraw/zinc/30/25/75/1006302575.db2.gz UAJJFLUJSDBGGL-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C2 ZINC001110661455 1006302587 /nfs/dbraw/zinc/30/25/87/1006302587.db2.gz UAJJFLUJSDBGGL-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000853241493 1006345698 /nfs/dbraw/zinc/34/56/98/1006345698.db2.gz WCVUIBLKVGORHF-VJBMBRPKSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000853241493 1006345709 /nfs/dbraw/zinc/34/57/09/1006345709.db2.gz WCVUIBLKVGORHF-VJBMBRPKSA-N 1 3 371.569 2.988 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001188107060 1006413821 /nfs/dbraw/zinc/41/38/21/1006413821.db2.gz GCGTVBHCBUFAHQ-IPMKNSEASA-N 1 3 351.510 2.699 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001188107060 1006413828 /nfs/dbraw/zinc/41/38/28/1006413828.db2.gz GCGTVBHCBUFAHQ-IPMKNSEASA-N 1 3 351.510 2.699 20 0 FFADHO C[C@@H]1CN(C[C@H](O)c2cccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000815077811 1006509180 /nfs/dbraw/zinc/50/91/80/1006509180.db2.gz DXRRWFJSIKSDOJ-LEOXJPRUSA-N 1 3 367.537 2.831 20 0 FFADHO C[NH+]1CCC(c2ccc(C(=O)N3CCCc4ccc(CN)nc43)cc2)CC1 ZINC001188320747 1006512000 /nfs/dbraw/zinc/51/20/00/1006512000.db2.gz NEEZPDIICSALMR-UHFFFAOYSA-N 1 3 364.493 2.943 20 0 FFADHO Cn1cc(-c2ccnc(C3CC[NH+](CC[C@H]4CCCN4C)CC3)n2)cn1 ZINC000854102781 1006680365 /nfs/dbraw/zinc/68/03/65/1006680365.db2.gz YQIQPAQFDDXNLP-GOSISDBHSA-N 1 3 354.502 2.541 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883172833 1006684489 /nfs/dbraw/zinc/68/44/89/1006684489.db2.gz UVRURURRBINNBO-OAQYLSRUSA-N 1 3 363.521 2.911 20 0 FFADHO Cc1nc(CN[C@@H]2CC[C@H](CNC(=O)c3ccn4c[nH+]cc4c3)C2)oc1C ZINC001086746662 1007084547 /nfs/dbraw/zinc/08/45/47/1007084547.db2.gz KNJWLOUQDIVGSG-DOTOQJQBSA-N 1 3 367.453 2.627 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(COC)cc3)CC2)CC1 ZINC000816974153 1007295988 /nfs/dbraw/zinc/29/59/88/1007295988.db2.gz SLLJRUNZQBHLCT-UHFFFAOYSA-N 1 3 359.514 2.968 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@H](N)Cc2c[nH]c3ccccc23)[NH+](C)C)cc1 ZINC000884196616 1007310633 /nfs/dbraw/zinc/31/06/33/1007310633.db2.gz WKIONDHDJGSWST-CTNGQTDRSA-N 1 3 364.493 2.765 20 0 FFADHO N[C@H](CC1CC1)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000884208334 1007315271 /nfs/dbraw/zinc/31/52/71/1007315271.db2.gz WVHLYKIGJCOUDF-GOSISDBHSA-N 1 3 358.486 2.567 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001189913153 1007345739 /nfs/dbraw/zinc/34/57/39/1007345739.db2.gz NJYVIZFURXWQIS-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001189913153 1007345750 /nfs/dbraw/zinc/34/57/50/1007345750.db2.gz NJYVIZFURXWQIS-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3sc(C)nc3C)C[C@H]21 ZINC001189891573 1007358799 /nfs/dbraw/zinc/35/87/99/1007358799.db2.gz SUSZIOYGVZSOLP-DLBZAZTESA-N 1 3 364.559 2.525 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3sc(C)nc3C)C[C@H]21 ZINC001189891573 1007358814 /nfs/dbraw/zinc/35/88/14/1007358814.db2.gz SUSZIOYGVZSOLP-DLBZAZTESA-N 1 3 364.559 2.525 20 0 FFADHO Cn1nccc1CN1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001206337375 1032237383 /nfs/dbraw/zinc/23/73/83/1032237383.db2.gz IRXQYKXRDXJSGY-QGZVFWFLSA-N 1 3 360.527 2.737 20 0 FFADHO Cn1nccc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001206337375 1032237399 /nfs/dbraw/zinc/23/73/99/1032237399.db2.gz IRXQYKXRDXJSGY-QGZVFWFLSA-N 1 3 360.527 2.737 20 0 FFADHO CCC1(CC)CCN(CN2CCC(CCC[NH+]3CCOCC3)CC2)C1=O ZINC000817362027 1007579926 /nfs/dbraw/zinc/57/99/26/1007579926.db2.gz QLUNQEAOCSPGMX-UHFFFAOYSA-N 1 3 365.562 2.807 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817659129 1007690103 /nfs/dbraw/zinc/69/01/03/1007690103.db2.gz PVSDUKLIYBFWCG-UHFFFAOYSA-N 1 3 366.594 2.517 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)ccc1OC ZINC000775412820 1007785650 /nfs/dbraw/zinc/78/56/50/1007785650.db2.gz XJDQYRSMZXFFIH-OXQOHEQNSA-N 1 3 364.530 2.975 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000885922765 1007837787 /nfs/dbraw/zinc/83/77/87/1007837787.db2.gz HEPHLHQPZTZINN-SFHVURJKSA-N 1 3 369.557 2.913 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3ccccc3OCC(F)F)CC2)CC1 ZINC000885955993 1007850893 /nfs/dbraw/zinc/85/08/93/1007850893.db2.gz FILKMHHYZZICTM-UHFFFAOYSA-N 1 3 367.484 2.979 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000818956964 1007994890 /nfs/dbraw/zinc/99/48/90/1007994890.db2.gz OXWUKLPVDPUJSB-QFIPXVFZSA-N 1 3 371.500 2.786 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000818958606 1007995389 /nfs/dbraw/zinc/99/53/89/1007995389.db2.gz RVQGPBKNZKMLQN-JOCHJYFZSA-N 1 3 371.500 2.786 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000819084137 1008030654 /nfs/dbraw/zinc/03/06/54/1008030654.db2.gz KBURGXGRXNWKPJ-KSSFIOAISA-N 1 3 372.431 2.829 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)cc1CN1CCCCC1 ZINC000858522697 1008374411 /nfs/dbraw/zinc/37/44/11/1008374411.db2.gz HQDZCNUXELYJHR-YLJYHZDGSA-N 1 3 361.530 2.662 20 0 FFADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000820823718 1008376039 /nfs/dbraw/zinc/37/60/39/1008376039.db2.gz OPQRLVKKHCKTBN-OGAVPMENSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000820823718 1008376044 /nfs/dbraw/zinc/37/60/44/1008376044.db2.gz OPQRLVKKHCKTBN-OGAVPMENSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110750275 1008382975 /nfs/dbraw/zinc/38/29/75/1008382975.db2.gz DOMFOJYHNHYDBI-AITUJVMLSA-N 1 3 365.562 2.522 20 0 FFADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110750275 1008382978 /nfs/dbraw/zinc/38/29/78/1008382978.db2.gz DOMFOJYHNHYDBI-AITUJVMLSA-N 1 3 365.562 2.522 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC001178170639 1008911244 /nfs/dbraw/zinc/91/12/44/1008911244.db2.gz LUFUPVPDUJVWPW-SJORKVTESA-N 1 3 353.304 2.917 20 0 FFADHO COc1cccnc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001206627944 1032370038 /nfs/dbraw/zinc/37/00/38/1032370038.db2.gz PLOVETKYOXJZGS-KRWDZBQOSA-N 1 3 371.481 2.939 20 0 FFADHO COc1cccnc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001206627944 1032370051 /nfs/dbraw/zinc/37/00/51/1032370051.db2.gz PLOVETKYOXJZGS-KRWDZBQOSA-N 1 3 371.481 2.939 20 0 FFADHO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCC(C)(N3CCOCC3)CC2)cn1 ZINC001206697566 1032393397 /nfs/dbraw/zinc/39/33/97/1032393397.db2.gz YGOBBIBUVDQZCN-NFYVFUGESA-N 1 3 360.546 2.754 20 0 FFADHO c1cc(OCCN2CCOCC2)ccc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001179314613 1009317947 /nfs/dbraw/zinc/31/79/47/1009317947.db2.gz CUQPVAXHICIOAL-OAQYLSRUSA-N 1 3 373.541 2.504 20 0 FFADHO c1cc(OCCN2CCOCC2)ccc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC001179314613 1009317964 /nfs/dbraw/zinc/31/79/64/1009317964.db2.gz CUQPVAXHICIOAL-OAQYLSRUSA-N 1 3 373.541 2.504 20 0 FFADHO C[C@H](C(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1)N1CCCC1 ZINC001180577674 1009731947 /nfs/dbraw/zinc/73/19/47/1009731947.db2.gz CPVVJGJFFIMHAI-GOSISDBHSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@H](C(=O)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1)N1CCCC1 ZINC001180577674 1009731965 /nfs/dbraw/zinc/73/19/65/1009731965.db2.gz CPVVJGJFFIMHAI-GOSISDBHSA-N 1 3 370.541 2.769 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000862402814 1009829946 /nfs/dbraw/zinc/82/99/46/1009829946.db2.gz KHVBHMWEJRQHLV-FQEVSTJZSA-N 1 3 374.573 2.988 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000862402814 1009829963 /nfs/dbraw/zinc/82/99/63/1009829963.db2.gz KHVBHMWEJRQHLV-FQEVSTJZSA-N 1 3 374.573 2.988 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001181975412 1010347614 /nfs/dbraw/zinc/34/76/14/1010347614.db2.gz CPWZMEHASIPKHO-SFHVURJKSA-N 1 3 361.505 2.979 20 0 FFADHO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001181975412 1010347624 /nfs/dbraw/zinc/34/76/24/1010347624.db2.gz CPWZMEHASIPKHO-SFHVURJKSA-N 1 3 361.505 2.979 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)cs1 ZINC001093765699 1010537244 /nfs/dbraw/zinc/53/72/44/1010537244.db2.gz VVUDPSHVPULQPS-QGPMSJSTSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)cs1 ZINC001093765699 1010537249 /nfs/dbraw/zinc/53/72/49/1010537249.db2.gz VVUDPSHVPULQPS-QGPMSJSTSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001093822911 1010593703 /nfs/dbraw/zinc/59/37/03/1010593703.db2.gz YGSQLXLXDUZZJI-YFVAEKQCSA-N 1 3 357.542 2.828 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001093824395 1010597497 /nfs/dbraw/zinc/59/74/97/1010597497.db2.gz SUWSQGPRINFIDS-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1)N(C)C ZINC001094021148 1010787950 /nfs/dbraw/zinc/78/79/50/1010787950.db2.gz XRXVTVOWOTZOJX-NSISKUIASA-N 1 3 363.521 2.926 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CC1CCC1 ZINC001094043566 1010806243 /nfs/dbraw/zinc/80/62/43/1010806243.db2.gz OMVWNUUFRBPSQT-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1)N(C)C ZINC001094049177 1010807892 /nfs/dbraw/zinc/80/78/92/1010807892.db2.gz LAWYCGBRVCONAI-ZTNFWEORSA-N 1 3 356.514 2.692 20 0 FFADHO C[NH+](C)CCOc1ccc(CNCc2cc3c([nH]c2=O)CCCC3)cc1 ZINC000865879289 1010880395 /nfs/dbraw/zinc/88/03/95/1010880395.db2.gz KXZAEOCELCCLBH-UHFFFAOYSA-N 1 3 355.482 2.896 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001094241532 1010985034 /nfs/dbraw/zinc/98/50/34/1010985034.db2.gz MEMOQYBWOGVZFT-IEBWSBKVSA-N 1 3 366.509 2.641 20 0 FFADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711006 1011041272 /nfs/dbraw/zinc/04/12/72/1011041272.db2.gz ZIXXZKSFBJQFBY-KSYCFECVSA-N 1 3 369.387 2.633 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2)C12CCC[NH+]1CCC2 ZINC001094458658 1011147115 /nfs/dbraw/zinc/14/71/15/1011147115.db2.gz RKZWYTQYHCAQAB-HKFPUOSXSA-N 1 3 351.922 2.728 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000868131148 1011177522 /nfs/dbraw/zinc/17/75/22/1011177522.db2.gz ZALMLICLHYJTQB-RSPOEFSDSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000868131148 1011177527 /nfs/dbraw/zinc/17/75/27/1011177527.db2.gz ZALMLICLHYJTQB-RSPOEFSDSA-N 1 3 356.514 2.558 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)cc1 ZINC001094512085 1011180280 /nfs/dbraw/zinc/18/02/80/1011180280.db2.gz LSGXWXDRRSLPBC-TZIWHRDSSA-N 1 3 361.505 2.735 20 0 FFADHO CCCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(C)C1 ZINC000645101380 1011340399 /nfs/dbraw/zinc/34/03/99/1011340399.db2.gz IBHPABDYOSCCAC-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCN(C)C1 ZINC000645163087 1011364593 /nfs/dbraw/zinc/36/45/93/1011364593.db2.gz HIQKQRRTVDYYSZ-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CCCN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCN(C)C1 ZINC000645163086 1011365707 /nfs/dbraw/zinc/36/57/07/1011365707.db2.gz HIQKQRRTVDYYSZ-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645204093 1011382636 /nfs/dbraw/zinc/38/26/36/1011382636.db2.gz XUKOTQWWUOJKAK-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645204093 1011382639 /nfs/dbraw/zinc/38/26/39/1011382639.db2.gz XUKOTQWWUOJKAK-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO CCOC(=O)C1(NC2CC(C)(C)[NH+](C)C(C)(C)C2)CCN(CC)CC1 ZINC001171625106 1011410640 /nfs/dbraw/zinc/41/06/40/1011410640.db2.gz CAHQJNJVOYMOEW-UHFFFAOYSA-N 1 3 353.551 2.645 20 0 FFADHO COCCN1C(=O)CCC12CC[NH+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171636501 1011421103 /nfs/dbraw/zinc/42/11/03/1011421103.db2.gz GKOIKEZTPPLZKF-UHFFFAOYSA-N 1 3 365.562 2.741 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001274409511 1011429316 /nfs/dbraw/zinc/42/93/16/1011429316.db2.gz WJBSOCACIUVCCE-OAHLLOKOSA-N 1 3 361.452 2.738 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001274409511 1011429323 /nfs/dbraw/zinc/42/93/23/1011429323.db2.gz WJBSOCACIUVCCE-OAHLLOKOSA-N 1 3 361.452 2.738 20 0 FFADHO CCCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645382896 1011463163 /nfs/dbraw/zinc/46/31/63/1011463163.db2.gz SNFKDNUPWZWFNQ-XLIONFOSSA-N 1 3 373.545 2.733 20 0 FFADHO CCCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645382896 1011463173 /nfs/dbraw/zinc/46/31/73/1011463173.db2.gz SNFKDNUPWZWFNQ-XLIONFOSSA-N 1 3 373.545 2.733 20 0 FFADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001171907745 1011529914 /nfs/dbraw/zinc/52/99/14/1011529914.db2.gz YOQQYFPDWBLNSE-HBMCJLEFSA-N 1 3 355.526 2.955 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001171907745 1011529926 /nfs/dbraw/zinc/52/99/26/1011529926.db2.gz YOQQYFPDWBLNSE-HBMCJLEFSA-N 1 3 355.526 2.955 20 0 FFADHO C[C@]1(CO)CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172068207 1011627421 /nfs/dbraw/zinc/62/74/21/1011627421.db2.gz HZZWRNHQYFFTLR-LILSUDLASA-N 1 3 358.526 2.637 20 0 FFADHO C[C@]1(CO)CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@H]1O ZINC001172068207 1011627430 /nfs/dbraw/zinc/62/74/30/1011627430.db2.gz HZZWRNHQYFFTLR-LILSUDLASA-N 1 3 358.526 2.637 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cccc4c3OCCO4)CC1)C2 ZINC001172126273 1011630688 /nfs/dbraw/zinc/63/06/88/1011630688.db2.gz VSQHOPLLYQOASB-PIIMJCKOSA-N 1 3 357.498 2.595 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)CCN12 ZINC001172179541 1011685980 /nfs/dbraw/zinc/68/59/80/1011685980.db2.gz MROZWHSFYFTBMV-WOJBJXKFSA-N 1 3 353.510 2.738 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001172255332 1011731692 /nfs/dbraw/zinc/73/16/92/1011731692.db2.gz OHRCYAVNUCMLST-QGZVFWFLSA-N 1 3 369.550 2.724 20 0 FFADHO CCOCC[C@H](C)[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001172425248 1011793920 /nfs/dbraw/zinc/79/39/20/1011793920.db2.gz UPKHDQVMKMPAPT-IBGZPJMESA-N 1 3 361.530 2.811 20 0 FFADHO CC(C)C[NH+]1CCC2(CC1)Cc1ccccc1CN(CCN(C)C)C2=O ZINC001275063648 1011885821 /nfs/dbraw/zinc/88/58/21/1011885821.db2.gz LRCWYGXZBGQNDH-UHFFFAOYSA-N 1 3 357.542 2.871 20 0 FFADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275123321 1011964723 /nfs/dbraw/zinc/96/47/23/1011964723.db2.gz DMEQXSDENHMSKQ-TZIWHRDSSA-N 1 3 365.562 2.624 20 0 FFADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275123321 1011964729 /nfs/dbraw/zinc/96/47/29/1011964729.db2.gz DMEQXSDENHMSKQ-TZIWHRDSSA-N 1 3 365.562 2.624 20 0 FFADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000646604203 1012062743 /nfs/dbraw/zinc/06/27/43/1012062743.db2.gz YPBSHYQQRAFEBE-UYAOXDASSA-N 1 3 367.493 2.723 20 0 FFADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000646604203 1012062760 /nfs/dbraw/zinc/06/27/60/1012062760.db2.gz YPBSHYQQRAFEBE-UYAOXDASSA-N 1 3 367.493 2.723 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173134217 1012270177 /nfs/dbraw/zinc/27/01/77/1012270177.db2.gz GZDFYKDZOMRMEH-FUHIMQAGSA-N 1 3 361.555 2.681 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173134217 1012270193 /nfs/dbraw/zinc/27/01/93/1012270193.db2.gz GZDFYKDZOMRMEH-FUHIMQAGSA-N 1 3 361.555 2.681 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3cc(Cl)ccc3F)CC2)C1=O ZINC001275350738 1012346175 /nfs/dbraw/zinc/34/61/75/1012346175.db2.gz GZLICXNAUGIMMZ-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO CCN1CC[C@H](N(Cc2nn(C(C)C)c3c2CC[NH2+]C3)c2nccs2)C1 ZINC001173365126 1012504652 /nfs/dbraw/zinc/50/46/52/1012504652.db2.gz YKRIJUBAGGUEHR-HNNXBMFYSA-N 1 3 374.558 2.667 20 0 FFADHO CN1CCC(NC(=S)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000795140724 1012516876 /nfs/dbraw/zinc/51/68/76/1012516876.db2.gz VMQQHJYFCNBHQC-OAQYLSRUSA-N 1 3 372.582 2.553 20 0 FFADHO CN1CCC(NC(=S)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000795140724 1012516889 /nfs/dbraw/zinc/51/68/89/1012516889.db2.gz VMQQHJYFCNBHQC-OAQYLSRUSA-N 1 3 372.582 2.553 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCCc2n[nH]cc21 ZINC000414268016 1012523459 /nfs/dbraw/zinc/52/34/59/1012523459.db2.gz NYPVIBXYMGIWRH-YFVAEKQCSA-N 1 3 354.498 2.914 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCCc2n[nH]cc21 ZINC000414268016 1012523475 /nfs/dbraw/zinc/52/34/75/1012523475.db2.gz NYPVIBXYMGIWRH-YFVAEKQCSA-N 1 3 354.498 2.914 20 0 FFADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000870990329 1012669873 /nfs/dbraw/zinc/66/98/73/1012669873.db2.gz DPEVFZBRUHRCSH-NQIIRXRSSA-N 1 3 358.530 2.517 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc4ccccc4c3)C2)C1=O ZINC001275603649 1012684138 /nfs/dbraw/zinc/68/41/38/1012684138.db2.gz YJAXCKAHFYRKFS-JOCHJYFZSA-N 1 3 351.494 2.826 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3)C2)C1=O ZINC001275603649 1012684149 /nfs/dbraw/zinc/68/41/49/1012684149.db2.gz YJAXCKAHFYRKFS-JOCHJYFZSA-N 1 3 351.494 2.826 20 0 FFADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)C1 ZINC001173620268 1012778159 /nfs/dbraw/zinc/77/81/59/1012778159.db2.gz FXJWUQWRZWSKSA-WIYYLYMNSA-N 1 3 373.541 2.646 20 0 FFADHO CCN([C@H]1CCOC1)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173670977 1012860266 /nfs/dbraw/zinc/86/02/66/1012860266.db2.gz ONRGKFNVVDEVQR-KRWDZBQOSA-N 1 3 363.468 2.588 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC001097315291 1017337686 /nfs/dbraw/zinc/33/76/86/1017337686.db2.gz SLMMRDLGMGGMFI-AQNXPRMDSA-N 1 3 353.510 2.784 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1n[nH]c2ccccc21 ZINC000679752119 1017611939 /nfs/dbraw/zinc/61/19/39/1017611939.db2.gz ZZQLUHOJFQCFQA-GOSISDBHSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1n[nH]c2ccccc21 ZINC000679752119 1017611944 /nfs/dbraw/zinc/61/19/44/1017611944.db2.gz ZZQLUHOJFQCFQA-GOSISDBHSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000679752119 1017611948 /nfs/dbraw/zinc/61/19/48/1017611948.db2.gz ZZQLUHOJFQCFQA-GOSISDBHSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1[nH]nc2ccccc21 ZINC000679752119 1017611956 /nfs/dbraw/zinc/61/19/56/1017611956.db2.gz ZZQLUHOJFQCFQA-GOSISDBHSA-N 1 3 350.466 2.809 20 0 FFADHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)n(C)n1 ZINC000925441027 1017742775 /nfs/dbraw/zinc/74/27/75/1017742775.db2.gz WUJZSNJEWPSOMU-IWFBPKFRSA-N 1 3 362.562 2.919 20 0 FFADHO C[N@H+]1CC=C(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000678911044 1017751090 /nfs/dbraw/zinc/75/10/90/1017751090.db2.gz ZGAAGKWWTDJKMH-FQEVSTJZSA-N 1 3 356.514 2.775 20 0 FFADHO C[N@@H+]1CC=C(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000678911044 1017751109 /nfs/dbraw/zinc/75/11/09/1017751109.db2.gz ZGAAGKWWTDJKMH-FQEVSTJZSA-N 1 3 356.514 2.775 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3[C@@H]4CCCN[C@@H]4C3(C)C)CC2)oc1C ZINC000925475458 1017760696 /nfs/dbraw/zinc/76/06/96/1017760696.db2.gz DGRQGMRWDRKLQV-YZGWKJHDSA-N 1 3 360.546 2.870 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001097695303 1017808027 /nfs/dbraw/zinc/80/80/27/1017808027.db2.gz WEIJGXOUWNDASP-AKHDSKFASA-N 1 3 351.510 2.865 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001097695303 1017808042 /nfs/dbraw/zinc/80/80/42/1017808042.db2.gz WEIJGXOUWNDASP-AKHDSKFASA-N 1 3 351.510 2.865 20 0 FFADHO COc1ccc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cc1OC ZINC000925808063 1017855167 /nfs/dbraw/zinc/85/51/67/1017855167.db2.gz JRTWMICXSVLMGD-KRWDZBQOSA-N 1 3 369.509 2.960 20 0 FFADHO COc1ccc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cc1O ZINC000925812883 1017859129 /nfs/dbraw/zinc/85/91/29/1017859129.db2.gz CYLFBUJGCSFFJG-INIZCTEOSA-N 1 3 355.482 2.657 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c(OC)c1 ZINC000925842366 1017865318 /nfs/dbraw/zinc/86/53/18/1017865318.db2.gz MIDLIPFONCWVHX-BOUXLOLZSA-N 1 3 361.486 2.543 20 0 FFADHO Cc1cccc2c1CC[C@@H]2N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000679081556 1017945195 /nfs/dbraw/zinc/94/51/95/1017945195.db2.gz NMQAECAXUSUOKU-VXKWHMMOSA-N 1 3 365.521 2.861 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc(Cl)n1 ZINC000827479564 1018195121 /nfs/dbraw/zinc/19/51/21/1018195121.db2.gz ZXEBUBYLJAPSBZ-MSOLQXFVSA-N 1 3 374.916 2.722 20 0 FFADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)CC1 ZINC000926696817 1018218174 /nfs/dbraw/zinc/21/81/74/1018218174.db2.gz PPLZPWQLNORUGH-RXVVDRJESA-N 1 3 358.530 2.701 20 0 FFADHO O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000749127408 1018331919 /nfs/dbraw/zinc/33/19/19/1018331919.db2.gz OAFQJDCDUBNXHK-SJLPKXTDSA-N 1 3 374.460 2.512 20 0 FFADHO O[C@H](CN1CCCC1)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000749127408 1018331926 /nfs/dbraw/zinc/33/19/26/1018331926.db2.gz OAFQJDCDUBNXHK-SJLPKXTDSA-N 1 3 374.460 2.512 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cc3ccccc3o2)CC[N@@H+]1C ZINC001045044051 1019797779 /nfs/dbraw/zinc/79/77/79/1019797779.db2.gz SNIAMYWEXXSAJY-HHXXYDBFSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cc3ccccc3o2)CC[N@H+]1C ZINC001045044051 1019797795 /nfs/dbraw/zinc/79/77/95/1019797795.db2.gz SNIAMYWEXXSAJY-HHXXYDBFSA-N 1 3 355.482 2.854 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCCc2ccc(F)cc21 ZINC001110981658 1019845361 /nfs/dbraw/zinc/84/53/61/1019845361.db2.gz XHJSVVFYWWPUGD-LMCOJAPRSA-N 1 3 359.489 2.876 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)C1 ZINC001096015712 1019901836 /nfs/dbraw/zinc/90/18/36/1019901836.db2.gz PWYKBZDJNIPJHF-YLAKUSLOSA-N 1 3 351.510 2.721 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC2)C1 ZINC001096015712 1019901843 /nfs/dbraw/zinc/90/18/43/1019901843.db2.gz PWYKBZDJNIPJHF-YLAKUSLOSA-N 1 3 351.510 2.721 20 0 FFADHO Fc1cc(Br)cc(-c2nnc(CNCC3CC[NH2+]CC3)o2)c1 ZINC001217756894 1032865417 /nfs/dbraw/zinc/86/54/17/1032865417.db2.gz AVYLZFPPDWNZGH-UHFFFAOYSA-N 1 3 369.238 2.727 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[NH+]1CCC(O)(CO)CC1)c1ccccc1 ZINC000930995829 1020275406 /nfs/dbraw/zinc/27/54/06/1020275406.db2.gz NFBYPTBXXOTQET-JOCHJYFZSA-N 1 3 368.521 2.721 20 0 FFADHO c1ccc(CN2CCOC[C@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001217894193 1032900480 /nfs/dbraw/zinc/90/04/80/1032900480.db2.gz AAWZFXLHTMSAAE-JOCHJYFZSA-N 1 3 352.478 2.750 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000900474031 1020437235 /nfs/dbraw/zinc/43/72/35/1020437235.db2.gz KJNJBIFVRDZZSD-TYKWCNGQSA-N 1 3 352.482 2.929 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903119961 1020688013 /nfs/dbraw/zinc/68/80/13/1020688013.db2.gz LPHOEHAVWUUUCB-BRWVUGGUSA-N 1 3 369.550 2.911 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2ccsc2)C3)CC[N@@H+]1C ZINC001098846300 1021233328 /nfs/dbraw/zinc/23/33/28/1021233328.db2.gz CZWJXXZDEUTSAC-GNBUJSLZSA-N 1 3 361.555 2.949 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2ccsc2)C3)CC[N@H+]1C ZINC001098846300 1021233341 /nfs/dbraw/zinc/23/33/41/1021233341.db2.gz CZWJXXZDEUTSAC-GNBUJSLZSA-N 1 3 361.555 2.949 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN[C@H](c1ccncc1)C1CC1)c1ccccc1 ZINC000934698129 1021357745 /nfs/dbraw/zinc/35/77/45/1021357745.db2.gz MGFSKPBKQNCRTL-CTNGQTDRSA-N 1 3 352.482 2.541 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001099010766 1021587233 /nfs/dbraw/zinc/58/72/33/1021587233.db2.gz MUPIHEMXSZRYRR-ICSRJNTNSA-N 1 3 361.555 2.869 20 0 FFADHO CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029826 1021632067 /nfs/dbraw/zinc/63/20/67/1021632067.db2.gz NZNCMUZVIGEZKN-VDGAXYAQSA-N 1 3 353.526 2.970 20 0 FFADHO CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029826 1021632071 /nfs/dbraw/zinc/63/20/71/1021632071.db2.gz NZNCMUZVIGEZKN-VDGAXYAQSA-N 1 3 353.526 2.970 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099063273 1021696103 /nfs/dbraw/zinc/69/61/03/1021696103.db2.gz VRPZYQRPNOMGHH-UGKGYDQZSA-N 1 3 370.541 2.593 20 0 FFADHO CCCCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099079806 1021730400 /nfs/dbraw/zinc/73/04/00/1021730400.db2.gz JDVTWEQNJUUVFJ-CEXWTWQISA-N 1 3 367.578 2.750 20 0 FFADHO CCCCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099079806 1021730416 /nfs/dbraw/zinc/73/04/16/1021730416.db2.gz JDVTWEQNJUUVFJ-CEXWTWQISA-N 1 3 367.578 2.750 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC001117965338 1021995715 /nfs/dbraw/zinc/99/57/15/1021995715.db2.gz RDOXSADULAIQBE-AZUAARDMSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCC2)C1 ZINC001099306457 1022264951 /nfs/dbraw/zinc/26/49/51/1022264951.db2.gz FUFHMRGBKIYTCT-NUEKZKHPSA-N 1 3 361.452 2.640 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C(F)(F)F ZINC001099317822 1022284668 /nfs/dbraw/zinc/28/46/68/1022284668.db2.gz RNYVHTPDXVFDGF-OAGGEKHMSA-N 1 3 363.468 2.884 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001099496976 1022631503 /nfs/dbraw/zinc/63/15/03/1022631503.db2.gz PVIHCQRCJWCEIU-BQFCYCMXSA-N 1 3 357.489 2.590 20 0 FFADHO Cc1cncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CN2CCC[C@@H]2C)C3)c1 ZINC001099497303 1022633162 /nfs/dbraw/zinc/63/31/62/1022633162.db2.gz UTFYZTJNQIJYFE-VCOUNFBDSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001039377365 1022744639 /nfs/dbraw/zinc/74/46/39/1022744639.db2.gz UIWZHNUOIFQBTE-AYWYSENESA-N 1 3 355.526 2.901 20 0 FFADHO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001039377365 1022744653 /nfs/dbraw/zinc/74/46/53/1022744653.db2.gz UIWZHNUOIFQBTE-AYWYSENESA-N 1 3 355.526 2.901 20 0 FFADHO Cc1cncc(CN2CCC3(CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)CC2)c1 ZINC001040707676 1022958047 /nfs/dbraw/zinc/95/80/47/1022958047.db2.gz GNVACIXLCLVNEL-UYAOXDASSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2CCC3(CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)CC2)c1 ZINC001040707676 1022958056 /nfs/dbraw/zinc/95/80/56/1022958056.db2.gz GNVACIXLCLVNEL-UYAOXDASSA-N 1 3 370.541 2.545 20 0 FFADHO Brc1ccc(CCCN2CC[NH2+]C[C@]3(CCCCN3)C2)cc1 ZINC001222667019 1033101909 /nfs/dbraw/zinc/10/19/09/1033101909.db2.gz CYSDKUFGBAWUKF-GOSISDBHSA-N 1 3 366.347 2.799 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3ocnc3C)CC2)CC[N@@H+]1C ZINC000948388737 1023250468 /nfs/dbraw/zinc/25/04/68/1023250468.db2.gz JPSANCAADJWFDO-FGTMMUONSA-N 1 3 362.518 2.526 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3ocnc3C)CC2)CC[N@H+]1C ZINC000948388737 1023250476 /nfs/dbraw/zinc/25/04/76/1023250476.db2.gz JPSANCAADJWFDO-FGTMMUONSA-N 1 3 362.518 2.526 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000753099924 1023268263 /nfs/dbraw/zinc/26/82/63/1023268263.db2.gz XLMMFGHWEOLSBK-HSALFYBXSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000753099924 1023268271 /nfs/dbraw/zinc/26/82/71/1023268271.db2.gz XLMMFGHWEOLSBK-HSALFYBXSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)CCN1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363026 1033123481 /nfs/dbraw/zinc/12/34/81/1033123481.db2.gz GFZJXRPAZWZVLM-VQTJNVASSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)CCN1C[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363026 1033123491 /nfs/dbraw/zinc/12/34/91/1033123491.db2.gz GFZJXRPAZWZVLM-VQTJNVASSA-N 1 3 365.562 2.599 20 0 FFADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C2 ZINC001120664314 1023412155 /nfs/dbraw/zinc/41/21/55/1023412155.db2.gz IIUGBPRIOWVTCC-MBEFBZSESA-N 1 3 356.514 2.610 20 0 FFADHO CN(C)c1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)c1 ZINC001111298885 1023674034 /nfs/dbraw/zinc/67/40/34/1023674034.db2.gz WBJSFUBVMQZWJU-NJYVYQBISA-N 1 3 372.557 2.706 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCOC)[C@H]2C1 ZINC001222817127 1033167227 /nfs/dbraw/zinc/16/72/27/1033167227.db2.gz IZXUXNSRZSYZCD-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCOC)[C@H]2C1 ZINC001222817127 1033167234 /nfs/dbraw/zinc/16/72/34/1033167234.db2.gz IZXUXNSRZSYZCD-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)CC[C@@H](N)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001122193186 1024420853 /nfs/dbraw/zinc/42/08/53/1024420853.db2.gz PGXCXOIUDXQYMX-LJQANCHMSA-N 1 3 361.530 2.547 20 0 FFADHO CC(C)CC[C@@H](N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001122193186 1024420861 /nfs/dbraw/zinc/42/08/61/1024420861.db2.gz PGXCXOIUDXQYMX-LJQANCHMSA-N 1 3 361.530 2.547 20 0 FFADHO C[NH+](C)C1(CC(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@@]3(C)C2)CCCC1 ZINC001101312887 1024427472 /nfs/dbraw/zinc/42/74/72/1024427472.db2.gz QJZJMGMLOBBHRD-NQIIRXRSSA-N 1 3 370.541 2.626 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101478181 1024843220 /nfs/dbraw/zinc/84/32/20/1024843220.db2.gz BQYUOAPZXNTFKT-NUJGCVRESA-N 1 3 357.489 2.542 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101478181 1024843240 /nfs/dbraw/zinc/84/32/40/1024843240.db2.gz BQYUOAPZXNTFKT-NUJGCVRESA-N 1 3 357.489 2.542 20 0 FFADHO CC(C)n1nccc1CNCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718020744 1025277761 /nfs/dbraw/zinc/27/77/61/1025277761.db2.gz OHNHQVAWUIPPQR-UHFFFAOYSA-N 1 3 356.514 2.971 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1C)N(C)C ZINC001102087971 1025412251 /nfs/dbraw/zinc/41/22/51/1025412251.db2.gz FUEFNKFYXKJGIU-RBSFLKMASA-N 1 3 351.457 2.743 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C)N(C)C ZINC001102087971 1025412257 /nfs/dbraw/zinc/41/22/57/1025412257.db2.gz FUEFNKFYXKJGIU-RBSFLKMASA-N 1 3 351.457 2.743 20 0 FFADHO CC(C)c1cccc(CN2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)n1 ZINC001102290566 1025702308 /nfs/dbraw/zinc/70/23/08/1025702308.db2.gz JXUVRJMQHQRNJT-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO Cc1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)s1 ZINC001102337816 1025770173 /nfs/dbraw/zinc/77/01/73/1025770173.db2.gz UMLZXYSAIQEJJV-MZMPZRCHSA-N 1 3 366.575 2.530 20 0 FFADHO Cc1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)s1 ZINC001102337816 1025770181 /nfs/dbraw/zinc/77/01/81/1025770181.db2.gz UMLZXYSAIQEJJV-MZMPZRCHSA-N 1 3 366.575 2.530 20 0 FFADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000638334564 1025789468 /nfs/dbraw/zinc/78/94/68/1025789468.db2.gz XVZVZVHCTANULU-HNNXBMFYSA-N 1 3 359.514 2.921 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375333 1025844696 /nfs/dbraw/zinc/84/46/96/1025844696.db2.gz CVTOIALRZLKFAS-UYAOXDASSA-N 1 3 359.558 2.891 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375333 1025844718 /nfs/dbraw/zinc/84/47/18/1025844718.db2.gz CVTOIALRZLKFAS-UYAOXDASSA-N 1 3 359.558 2.891 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CC[N@@H+]1C ZINC001141311091 1025845565 /nfs/dbraw/zinc/84/55/65/1025845565.db2.gz WSWKQEHLKOTUAF-ZCNNSNEGSA-N 1 3 361.530 2.925 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CC[N@H+]1C ZINC001141311091 1025845583 /nfs/dbraw/zinc/84/55/83/1025845583.db2.gz WSWKQEHLKOTUAF-ZCNNSNEGSA-N 1 3 361.530 2.925 20 0 FFADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000638556027 1025891247 /nfs/dbraw/zinc/89/12/47/1025891247.db2.gz IWOYGQGIJWKZRH-BRWVUGGUSA-N 1 3 369.431 2.637 20 0 FFADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1C(F)(F)F ZINC000638559797 1025892206 /nfs/dbraw/zinc/89/22/06/1025892206.db2.gz QRGYMNQQIADMCH-SJORKVTESA-N 1 3 369.431 2.882 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638718293 1025946835 /nfs/dbraw/zinc/94/68/35/1025946835.db2.gz KRYDRXYOUKBKDI-GHTZIAJQSA-N 1 3 359.558 2.722 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102475266 1026053181 /nfs/dbraw/zinc/05/31/81/1026053181.db2.gz GSKFPDNZIAQLCO-NVXWUHKLSA-N 1 3 359.505 2.838 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102475266 1026053198 /nfs/dbraw/zinc/05/31/98/1026053198.db2.gz GSKFPDNZIAQLCO-NVXWUHKLSA-N 1 3 359.505 2.838 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1C ZINC001102531827 1026243387 /nfs/dbraw/zinc/24/33/87/1026243387.db2.gz HSTBLCKATPNGMF-YLJYHZDGSA-N 1 3 368.525 2.886 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1C ZINC001102531827 1026243393 /nfs/dbraw/zinc/24/33/93/1026243393.db2.gz HSTBLCKATPNGMF-YLJYHZDGSA-N 1 3 368.525 2.886 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531853 1026245417 /nfs/dbraw/zinc/24/54/17/1026245417.db2.gz ITIDCBQGJVZFON-DNVCBOLYSA-N 1 3 354.498 2.707 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531853 1026245430 /nfs/dbraw/zinc/24/54/30/1026245430.db2.gz ITIDCBQGJVZFON-DNVCBOLYSA-N 1 3 354.498 2.707 20 0 FFADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639682831 1026432067 /nfs/dbraw/zinc/43/20/67/1026432067.db2.gz APIMPXASGCXHIS-GOSISDBHSA-N 1 3 358.530 2.878 20 0 FFADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639682831 1026432076 /nfs/dbraw/zinc/43/20/76/1026432076.db2.gz APIMPXASGCXHIS-GOSISDBHSA-N 1 3 358.530 2.878 20 0 FFADHO C[C@@H](OCCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639757877 1026459758 /nfs/dbraw/zinc/45/97/58/1026459758.db2.gz MMIWMWONQJADGS-LJQANCHMSA-N 1 3 373.541 2.688 20 0 FFADHO CC(C)OCc1ccccc1CNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639759006 1026459899 /nfs/dbraw/zinc/45/98/99/1026459899.db2.gz ZORSCTJWMZFOMK-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc4cc(F)ccc4n3)CC2)CC1 ZINC001141652836 1026746048 /nfs/dbraw/zinc/74/60/48/1026746048.db2.gz VDTIUIQCNTVZNW-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO CN1CCC(N(c2cnc3c(Cl)cccc3n2)C2CC[NH2+]CC2)CC1 ZINC001158575753 1027064912 /nfs/dbraw/zinc/06/49/12/1027064912.db2.gz USNPUDCMRQEMFE-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)c1cccc(Cl)c1Cl ZINC001158576680 1027065098 /nfs/dbraw/zinc/06/50/98/1027065098.db2.gz CUTPABXEXSCOTR-ZKYQVNSYSA-N 1 3 374.287 2.919 20 0 FFADHO Cc1cccc(N(C(=O)[C@@H](N)C2CCCCC2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339052 1027360072 /nfs/dbraw/zinc/36/00/72/1027360072.db2.gz LFJPHNCCXSCXSS-JAXLGGSGSA-N 1 3 371.525 2.757 20 0 FFADHO Cn1ccc2c1ncnc2-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159459952 1027397803 /nfs/dbraw/zinc/39/78/03/1027397803.db2.gz IJXLRJLHIPWWGX-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cnc4cccnc4n3)c3ccccc23)CC1 ZINC001159460670 1027399093 /nfs/dbraw/zinc/39/90/93/1027399093.db2.gz KPAWDYKSUPMTCS-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3nnc4ccccc4n3)c3ccccc23)CC1 ZINC001159466074 1027400427 /nfs/dbraw/zinc/40/04/27/1027400427.db2.gz CTLDZLRFLYAAAR-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001160348910 1027683892 /nfs/dbraw/zinc/68/38/92/1027683892.db2.gz HNUMRGQVCMAOSX-WMZOPIPTSA-N 1 3 370.522 2.923 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC001160955858 1027943985 /nfs/dbraw/zinc/94/39/85/1027943985.db2.gz IQNLUPALBWXNSF-WOJBJXKFSA-N 1 3 373.541 2.898 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC001160958084 1027946420 /nfs/dbraw/zinc/94/64/20/1027946420.db2.gz UVIPGWIIOFSRLV-FBBABVLZSA-N 1 3 373.541 2.896 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@]23CC[C@H]2C[NH2+]C3)cc1 ZINC001160956447 1027946736 /nfs/dbraw/zinc/94/67/36/1027946736.db2.gz NETWHIWBVVYPHB-NNMXDRDESA-N 1 3 371.525 2.508 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001161029702 1027978775 /nfs/dbraw/zinc/97/87/75/1027978775.db2.gz PNDDWOVTUKRJGT-ZWKOTPCHSA-N 1 3 367.921 2.736 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001153804284 1028002751 /nfs/dbraw/zinc/00/27/51/1028002751.db2.gz WPUBXXNCMFAGMW-FQEVSTJZSA-N 1 3 372.557 2.578 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001153804284 1028002768 /nfs/dbraw/zinc/00/27/68/1028002768.db2.gz WPUBXXNCMFAGMW-FQEVSTJZSA-N 1 3 372.557 2.578 20 0 FFADHO O=C(C1CCCC1)N1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000643463149 1028011000 /nfs/dbraw/zinc/01/10/00/1028011000.db2.gz HRDCCGGHCOAQIU-JLMWRMLUSA-N 1 3 369.509 2.623 20 0 FFADHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001161158510 1028042119 /nfs/dbraw/zinc/04/21/19/1028042119.db2.gz JHMHZAUGFAYGRU-CVEARBPZSA-N 1 3 357.420 2.507 20 0 FFADHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001161158510 1028042135 /nfs/dbraw/zinc/04/21/35/1028042135.db2.gz JHMHZAUGFAYGRU-CVEARBPZSA-N 1 3 357.420 2.507 20 0 FFADHO C[C@@H]1CN(Cc2ccns2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103753586 1028142008 /nfs/dbraw/zinc/14/20/08/1028142008.db2.gz QGQTYJKNJCHICA-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO O=C([C@@H]1CC[NH2+]1)N1CCC2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001161420937 1028163219 /nfs/dbraw/zinc/16/32/19/1028163219.db2.gz NIBKWBWJEMFGGL-FQEVSTJZSA-N 1 3 361.489 2.672 20 0 FFADHO COc1ccc(C(C)(C)CC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161444878 1028178143 /nfs/dbraw/zinc/17/81/43/1028178143.db2.gz LQLRRZXBTICIDP-SFHVURJKSA-N 1 3 361.530 2.505 20 0 FFADHO Cc1c(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cccc1C(F)(F)F ZINC001161448474 1028179145 /nfs/dbraw/zinc/17/91/45/1028179145.db2.gz CLVHMDIQTITASQ-CQSZACIVSA-N 1 3 357.420 2.770 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161576726 1028238064 /nfs/dbraw/zinc/23/80/64/1028238064.db2.gz SCGKKZGBRXXAMC-HKBOAZHASA-N 1 3 355.526 2.875 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161576726 1028238079 /nfs/dbraw/zinc/23/80/79/1028238079.db2.gz SCGKKZGBRXXAMC-HKBOAZHASA-N 1 3 355.526 2.875 20 0 FFADHO NCc1cc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)ncn1 ZINC001161577786 1028238223 /nfs/dbraw/zinc/23/82/23/1028238223.db2.gz PHAKZFJVFZHQLO-UHFFFAOYSA-N 1 3 365.403 2.687 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001164485577 1029292555 /nfs/dbraw/zinc/29/25/55/1029292555.db2.gz IUYDFHDBXRQPHS-KZNAEPCWSA-N 1 3 365.481 2.628 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001164485577 1029292563 /nfs/dbraw/zinc/29/25/63/1029292563.db2.gz IUYDFHDBXRQPHS-KZNAEPCWSA-N 1 3 365.481 2.628 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001111782357 1029434137 /nfs/dbraw/zinc/43/41/37/1029434137.db2.gz FMHGNPLVMNOMRN-ONTIZHBOSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001111782357 1029434146 /nfs/dbraw/zinc/43/41/46/1029434146.db2.gz FMHGNPLVMNOMRN-ONTIZHBOSA-N 1 3 370.541 2.735 20 0 FFADHO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc(CN2CCCC2)cn1 ZINC001157169658 1029492252 /nfs/dbraw/zinc/49/22/52/1029492252.db2.gz SPQKODBGIGGZRV-KRWDZBQOSA-N 1 3 362.518 2.929 20 0 FFADHO O=C(Cc1ccc2c(c1)C[NH2+]CC2)N1CCN(CC2CCCCC2)CC1 ZINC001157578875 1029622206 /nfs/dbraw/zinc/62/22/06/1029622206.db2.gz FGHHIUJAGMGEAX-UHFFFAOYSA-N 1 3 355.526 2.599 20 0 FFADHO CCCN(CCC)c1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)ncn1 ZINC001157842827 1029673883 /nfs/dbraw/zinc/67/38/83/1029673883.db2.gz ZIXMYMPJMJKJRM-UHFFFAOYSA-N 1 3 374.577 2.567 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(-c4ccccc4F)nn3)CC2)CC1 ZINC001157842761 1029674267 /nfs/dbraw/zinc/67/42/67/1029674267.db2.gz WCGDSBYGXGFZPW-UHFFFAOYSA-N 1 3 369.488 2.747 20 0 FFADHO O=C(c1csc([C@H]2CCCN2)n1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158037392 1029714250 /nfs/dbraw/zinc/71/42/50/1029714250.db2.gz CVBIXCRIYKPXQB-BEFAXECRSA-N 1 3 362.543 2.954 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001111949182 1029787672 /nfs/dbraw/zinc/78/76/72/1029787672.db2.gz RNIXIGUZADWWIP-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO COc1cc(N(c2cc(Cl)nc3c2CCNC3)C2CC[NH2+]CC2)ccn1 ZINC001158332896 1029799967 /nfs/dbraw/zinc/79/99/67/1029799967.db2.gz AUAHYNJHUBYLTH-UHFFFAOYSA-N 1 3 373.888 2.674 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)ccc1OC ZINC000782778755 1029818299 /nfs/dbraw/zinc/81/82/99/1029818299.db2.gz UKFITEUQNYJEKT-OXQOHEQNSA-N 1 3 364.530 2.975 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113376 1030034870 /nfs/dbraw/zinc/03/48/70/1030034870.db2.gz QYXMFPDULLMBBY-HUUCEWRRSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)CN1Cc1ccccc1 ZINC000841285584 1030159459 /nfs/dbraw/zinc/15/94/59/1030159459.db2.gz SNMZGNZROHZLIU-QFBILLFUSA-N 1 3 368.481 2.809 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001112198185 1030216318 /nfs/dbraw/zinc/21/63/18/1030216318.db2.gz GGWBKDITQPKEDK-HZPDHXFCSA-N 1 3 363.468 2.887 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000841607437 1030364862 /nfs/dbraw/zinc/36/48/62/1030364862.db2.gz FMZADBCTZHXXBQ-NRFANRHFSA-N 1 3 366.509 2.824 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000841637952 1030379802 /nfs/dbraw/zinc/37/98/02/1030379802.db2.gz YKHPRRZIQLEPRZ-GOSISDBHSA-N 1 3 372.538 2.886 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000841905575 1030531727 /nfs/dbraw/zinc/53/17/27/1030531727.db2.gz FXWFAGOACKCADC-UTKZUKDTSA-N 1 3 366.509 2.650 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1 ZINC001112353755 1030634146 /nfs/dbraw/zinc/63/41/46/1030634146.db2.gz ZHHCZRCYHOHLMY-NOBNYHECSA-N 1 3 353.938 2.830 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000796702987 1030887699 /nfs/dbraw/zinc/88/76/99/1030887699.db2.gz OMGHCLRPNPQISR-BRSBDYLESA-N 1 3 369.550 2.626 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC001204423684 1031281036 /nfs/dbraw/zinc/28/10/36/1031281036.db2.gz DVHIBGROKCDPFS-UHFFFAOYSA-N 1 3 353.457 2.747 20 0 FFADHO CCOC(=O)Nc1ccc2c(CN3CCC([C@H](C)[NH3+])CC3)cc(=O)oc2c1 ZINC000843348715 1031340226 /nfs/dbraw/zinc/34/02/26/1031340226.db2.gz NSWJENVCNXJMBZ-ZDUSSCGKSA-N 1 3 373.453 2.921 20 0 FFADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCC1(c2ccc(F)cc2)CCCC1 ZINC000843363761 1031355084 /nfs/dbraw/zinc/35/50/84/1031355084.db2.gz OZMYTNAEUDSZOA-UHFFFAOYSA-N 1 3 373.516 2.829 20 0 FFADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccccc1C(F)(F)F ZINC000843364590 1031357850 /nfs/dbraw/zinc/35/78/50/1031357850.db2.gz JHBCDSHDFDSOLN-INIZCTEOSA-N 1 3 367.415 2.886 20 0 FFADHO CN(C)Cc1ccsc1C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001149533778 1031531983 /nfs/dbraw/zinc/53/19/83/1031531983.db2.gz HTSVVIWNFJJXCQ-KRWDZBQOSA-N 1 3 361.486 2.606 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001205292661 1031653000 /nfs/dbraw/zinc/65/30/00/1031653000.db2.gz LTBGLXJQSDZCLH-ZWKOTPCHSA-N 1 3 367.484 2.800 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001205292661 1031653006 /nfs/dbraw/zinc/65/30/06/1031653006.db2.gz LTBGLXJQSDZCLH-ZWKOTPCHSA-N 1 3 367.484 2.800 20 0 FFADHO C[NH+]1CCC2(CCCN(CC(=O)NCCCOC3CCCCC3)C2)CC1 ZINC000799177911 1031682139 /nfs/dbraw/zinc/68/21/39/1031682139.db2.gz ADJRBINKERBGKY-UHFFFAOYSA-N 1 3 365.562 2.650 20 0 FFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205449441 1031755160 /nfs/dbraw/zinc/75/51/60/1031755160.db2.gz UZQJYVFAYXYPHY-NZSAHSFTSA-N 1 3 367.484 2.800 20 0 FFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205449441 1031755172 /nfs/dbraw/zinc/75/51/72/1031755172.db2.gz UZQJYVFAYXYPHY-NZSAHSFTSA-N 1 3 367.484 2.800 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001205458776 1031762872 /nfs/dbraw/zinc/76/28/72/1031762872.db2.gz SOESWCAYTZQOJH-ZYSHUDEJSA-N 1 3 367.484 2.798 20 0 FFADHO C[C@@H]1CCN(Cc2cn3cc(Br)ccc3n2)CC[C@H]1C[NH3+] ZINC001205638253 1031897039 /nfs/dbraw/zinc/89/70/39/1031897039.db2.gz LPYKAKNPMOTHBO-OLZOCXBDSA-N 1 3 351.292 2.904 20 0 FFADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1CC1CC1 ZINC001115985171 1032049330 /nfs/dbraw/zinc/04/93/30/1032049330.db2.gz RTRGMIXLQMQRSZ-UHFFFAOYSA-N 1 3 372.557 2.803 20 0 FFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001205894778 1032052558 /nfs/dbraw/zinc/05/25/58/1032052558.db2.gz LZXLJTASUORNJR-UHFFFAOYSA-N 1 3 367.497 2.602 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001218849500 1033373941 /nfs/dbraw/zinc/37/39/41/1033373941.db2.gz TYBNYOXSHHPNTG-FQEVSTJZSA-N 1 3 352.482 2.597 20 0 FFADHO N[C@@H](C(=O)Nc1ccc2nc(C(F)(F)F)ccc2c1)C1CC[NH2+]CC1 ZINC001218965351 1033433254 /nfs/dbraw/zinc/43/32/54/1033433254.db2.gz KNDLHWSOLDQPII-OAHLLOKOSA-N 1 3 352.360 2.519 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccccc3OC3CC3)[C@H]2C1 ZINC001223431172 1033444038 /nfs/dbraw/zinc/44/40/38/1033444038.db2.gz WFDICYDOGRXVOT-XLIONFOSSA-N 1 3 371.525 2.602 20 0 FFADHO O=C(Nc1ccc2[nH]c(-c3ccccc3)cc2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218989173 1033444655 /nfs/dbraw/zinc/44/46/55/1033444655.db2.gz SNURZKJACNJRPW-VGOFRKELSA-N 1 3 360.461 2.973 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236252 1033566988 /nfs/dbraw/zinc/56/69/88/1033566988.db2.gz PSMWBZHRRYXYLN-UTKZUKDTSA-N 1 3 370.472 2.652 20 0 FFADHO N[C@H](CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC001219609699 1033711387 /nfs/dbraw/zinc/71/13/87/1033711387.db2.gz BMYXSJUTFOMVJO-DGCLKSJQSA-N 1 3 370.202 2.794 20 0 FFADHO O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001219769415 1033804807 /nfs/dbraw/zinc/80/48/07/1033804807.db2.gz WJFOYNOPKPDVGO-APWZRJJASA-N 1 3 367.896 2.760 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001220161534 1034015796 /nfs/dbraw/zinc/01/57/96/1034015796.db2.gz CYFYEUVHHDNCPO-WOIUINJBSA-N 1 3 357.542 2.892 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001220315761 1034114836 /nfs/dbraw/zinc/11/48/36/1034114836.db2.gz IAEACKYCLWFVCB-URVUXULASA-N 1 3 373.541 2.877 20 0 FFADHO [NH3+]C1CCC(N(C(=O)[C@@H]2C[C@@H](F)CCN2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001220542409 1034247895 /nfs/dbraw/zinc/24/78/95/1034247895.db2.gz USHBMRJQMKZJGG-ITVXZUIBSA-N 1 3 359.489 2.731 20 0 FFADHO O=C(NC1c2ccccc2Oc2ccccc21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220721334 1034354486 /nfs/dbraw/zinc/35/44/86/1034354486.db2.gz GIMMEVDXPVJEFY-KRWDZBQOSA-N 1 3 363.461 2.872 20 0 FFADHO O=C(NC1c2ccccc2Oc2ccccc21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220721334 1034354496 /nfs/dbraw/zinc/35/44/96/1034354496.db2.gz GIMMEVDXPVJEFY-KRWDZBQOSA-N 1 3 363.461 2.872 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220805420 1034408161 /nfs/dbraw/zinc/40/81/61/1034408161.db2.gz RPBQHJARSLHDSY-ZJIFWQFVSA-N 1 3 355.404 2.526 20 0 FFADHO N[C@@H](CC(=O)NCc1ccccc1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC001220855187 1034432258 /nfs/dbraw/zinc/43/22/58/1034432258.db2.gz PHCMMQJRFVQGJD-INIZCTEOSA-N 1 3 351.372 2.870 20 0 FFADHO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)CC1 ZINC001220982384 1034491127 /nfs/dbraw/zinc/49/11/27/1034491127.db2.gz DBFWYUIGNGDCHW-UKRRQHHQSA-N 1 3 373.394 2.533 20 0 FFADHO CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138770253 1034636309 /nfs/dbraw/zinc/63/63/09/1034636309.db2.gz VYOJSBCRXOFRRM-UHFFFAOYSA-N 1 3 365.518 2.926 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC001226615485 1034758554 /nfs/dbraw/zinc/75/85/54/1034758554.db2.gz WHIZHYZPXUDNPW-VAMGGRTRSA-N 1 3 365.562 2.695 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001226890385 1034875400 /nfs/dbraw/zinc/87/54/00/1034875400.db2.gz MFPADBKMCHWTEH-IPMKNSEASA-N 1 3 362.493 2.612 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001226890385 1034875403 /nfs/dbraw/zinc/87/54/03/1034875403.db2.gz MFPADBKMCHWTEH-IPMKNSEASA-N 1 3 362.493 2.612 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001227047625 1034920395 /nfs/dbraw/zinc/92/03/95/1034920395.db2.gz JLIIKSCMTXRARV-BZUAXINKSA-N 1 3 352.910 2.592 20 0 FFADHO CCc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)C(C)(C)[N@@H+](C)CC)o1 ZINC001227149666 1034949655 /nfs/dbraw/zinc/94/96/55/1034949655.db2.gz BNVNOSUCHQVBDR-HZPDHXFCSA-N 1 3 364.534 2.793 20 0 FFADHO CCc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)C(C)(C)[N@H+](C)CC)o1 ZINC001227149666 1034949660 /nfs/dbraw/zinc/94/96/60/1034949660.db2.gz BNVNOSUCHQVBDR-HZPDHXFCSA-N 1 3 364.534 2.793 20 0 FFADHO C[C@H](F)CCN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712595 1035003479 /nfs/dbraw/zinc/00/34/79/1035003479.db2.gz HXZWFLIVLQQSRC-RCCFBDPRSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848514 1035112094 /nfs/dbraw/zinc/11/20/94/1035112094.db2.gz SHPUSJUVNJHVBD-VAMGGRTRSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848514 1035112098 /nfs/dbraw/zinc/11/20/98/1035112098.db2.gz SHPUSJUVNJHVBD-VAMGGRTRSA-N 1 3 365.562 2.597 20 0 FFADHO Clc1cnccc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001139848243 1035251705 /nfs/dbraw/zinc/25/17/05/1035251705.db2.gz DXFZWNWGSLTXEY-UHFFFAOYSA-N 1 3 359.905 2.976 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc(N)nc1)CC2 ZINC001232367062 1035628303 /nfs/dbraw/zinc/62/83/03/1035628303.db2.gz AMWOMBBHBGDIRN-FQEVSTJZSA-N 1 3 366.509 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc(N)nc1)CC2 ZINC001232367062 1035628310 /nfs/dbraw/zinc/62/83/10/1035628310.db2.gz AMWOMBBHBGDIRN-FQEVSTJZSA-N 1 3 366.509 2.919 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(Cl)s1 ZINC001228255124 1036017305 /nfs/dbraw/zinc/01/73/05/1036017305.db2.gz PBBZISHGOQGJOI-ZIAGYGMSSA-N 1 3 358.939 2.655 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C)[NH+](CC)CC ZINC001228559793 1036179031 /nfs/dbraw/zinc/17/90/31/1036179031.db2.gz YIUUKRYTZGMADU-KZNAEPCWSA-N 1 3 350.507 2.620 20 0 FFADHO CCO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001228646539 1036227637 /nfs/dbraw/zinc/22/76/37/1036227637.db2.gz HLXAJMMGAJHMIV-GUDVDZBRSA-N 1 3 367.578 2.796 20 0 FFADHO CN(C)CCC(=O)c1ccc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc1 ZINC001229305808 1036604082 /nfs/dbraw/zinc/60/40/82/1036604082.db2.gz DZLRYUFTFPVNFW-LJQANCHMSA-N 1 3 360.498 2.843 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3cccc4c3CCCC4)C2)C1=O ZINC001277837381 1036957991 /nfs/dbraw/zinc/95/79/91/1036957991.db2.gz WIAKKBYIBKYJLW-QFIPXVFZSA-N 1 3 355.526 2.551 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3cccc4c3CCCC4)C2)C1=O ZINC001277837381 1036957998 /nfs/dbraw/zinc/95/79/98/1036957998.db2.gz WIAKKBYIBKYJLW-QFIPXVFZSA-N 1 3 355.526 2.551 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257631 1037179819 /nfs/dbraw/zinc/17/98/19/1037179819.db2.gz YWNPTOBLAMIZAP-RTBURBONSA-N 1 3 358.530 2.783 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286115 1037195787 /nfs/dbraw/zinc/19/57/87/1037195787.db2.gz AVECICKCSLPTDB-VAMGGRTRSA-N 1 3 367.578 2.941 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001207262274 1037294814 /nfs/dbraw/zinc/29/48/14/1037294814.db2.gz GTESEGKEAZCFRN-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001207262274 1037294832 /nfs/dbraw/zinc/29/48/32/1037294832.db2.gz GTESEGKEAZCFRN-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001207280747 1037312369 /nfs/dbraw/zinc/31/23/69/1037312369.db2.gz UXBFVZOJFWBWLC-RXVVDRJESA-N 1 3 361.530 2.919 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001207280747 1037312386 /nfs/dbraw/zinc/31/23/86/1037312386.db2.gz UXBFVZOJFWBWLC-RXVVDRJESA-N 1 3 361.530 2.919 20 0 FFADHO c1ccc2c(c1)C[NH2+]CC21CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001235093063 1037361298 /nfs/dbraw/zinc/36/12/98/1037361298.db2.gz JUTSZQPPFAZACD-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc2c(c1)C[NH2+]CC21CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001235093063 1037361316 /nfs/dbraw/zinc/36/13/16/1037361316.db2.gz JUTSZQPPFAZACD-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc(COCc2cncc3c2CCN(CC2CC[NH2+]CC2)C3)nc1 ZINC001207435021 1037437581 /nfs/dbraw/zinc/43/75/81/1037437581.db2.gz DNNKBDLRCDTABR-UHFFFAOYSA-N 1 3 352.482 2.551 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207601256 1037591476 /nfs/dbraw/zinc/59/14/76/1037591476.db2.gz FFRHFCZNTHBAOA-VOQZNFBZSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207601256 1037591490 /nfs/dbraw/zinc/59/14/90/1037591490.db2.gz FFRHFCZNTHBAOA-VOQZNFBZSA-N 1 3 369.553 2.986 20 0 FFADHO Fc1cccc(N2CCOC[C@]3(CCCN(C[C@H]4CCC[NH2+]C4)C3)C2)c1 ZINC001235603318 1037638553 /nfs/dbraw/zinc/63/85/53/1037638553.db2.gz UQNNZSLUCFSJKH-RXVVDRJESA-N 1 3 361.505 2.744 20 0 FFADHO Cc1ccc(N2C[C@]3(CCN(CC[C@H]4COC(C)(C)[NH2+]4)C3)CC2=O)cc1 ZINC001235645735 1037661362 /nfs/dbraw/zinc/66/13/62/1037661362.db2.gz YQFQOMHFYLSIPA-LAUBAEHRSA-N 1 3 357.498 2.538 20 0 FFADHO COc1cc(CN(C)Cc2cccc(N3CC[NH2+]CC3)c2)cc(OC)c1 ZINC001235663590 1037670485 /nfs/dbraw/zinc/67/04/85/1037670485.db2.gz IOZVSUPRPHYDJI-UHFFFAOYSA-N 1 3 355.482 2.745 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001235663772 1037671480 /nfs/dbraw/zinc/67/14/80/1037671480.db2.gz DPMKKGKDGMLGLH-LSDHHAIUSA-N 1 3 373.419 2.501 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001235663772 1037671486 /nfs/dbraw/zinc/67/14/86/1037671486.db2.gz DPMKKGKDGMLGLH-LSDHHAIUSA-N 1 3 373.419 2.501 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001235695638 1037690679 /nfs/dbraw/zinc/69/06/79/1037690679.db2.gz XUEMWRLOFUZJBC-SFHVURJKSA-N 1 3 359.514 2.650 20 0 FFADHO c1cncc(O[C@H]2CCCN(Cc3cccc(CN4CC[NH2+]CC4)c3)C2)c1 ZINC001235711829 1037705241 /nfs/dbraw/zinc/70/52/41/1037705241.db2.gz BPYNEYNACCPOGW-QFIPXVFZSA-N 1 3 366.509 2.530 20 0 FFADHO c1ccc2c(c1)C[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC21CC[NH2+]CC1 ZINC001235975496 1037873291 /nfs/dbraw/zinc/87/32/91/1037873291.db2.gz WRWQENQJNWITPU-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc2c(c1)C[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC21CC[NH2+]CC1 ZINC001235975496 1037873306 /nfs/dbraw/zinc/87/33/06/1037873306.db2.gz WRWQENQJNWITPU-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc2c(c1)C[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC21CC[NH2+]CC1 ZINC001235975496 1037873316 /nfs/dbraw/zinc/87/33/16/1037873316.db2.gz WRWQENQJNWITPU-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc2c(c1)C[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC21CC[NH2+]CC1 ZINC001235975496 1037873336 /nfs/dbraw/zinc/87/33/36/1037873336.db2.gz WRWQENQJNWITPU-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3cc(OC(C)C)ccc3C)C[C@H]1CNCC2 ZINC001236040090 1037903349 /nfs/dbraw/zinc/90/33/49/1037903349.db2.gz IYSWORPOOQXTIF-WIYYLYMNSA-N 1 3 360.498 2.757 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cc(OC(C)C)ccc3C)C[C@H]1CNCC2 ZINC001236040090 1037903358 /nfs/dbraw/zinc/90/33/58/1037903358.db2.gz IYSWORPOOQXTIF-WIYYLYMNSA-N 1 3 360.498 2.757 20 0 FFADHO Cc1cc(N2CCN(CCC3CC[NH2+]CC3)CC2)n(-c2ccccc2)n1 ZINC001236100750 1037933827 /nfs/dbraw/zinc/93/38/27/1037933827.db2.gz HEZMQUQFDRLVII-UHFFFAOYSA-N 1 3 353.514 2.692 20 0 FFADHO O=C(c1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1F)N1CCCC1 ZINC001236168009 1037962318 /nfs/dbraw/zinc/96/23/18/1037962318.db2.gz ALTWROAFMQIETF-UHFFFAOYSA-N 1 3 354.429 2.533 20 0 FFADHO CCOC(=O)c1ccc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)cc1 ZINC001208109571 1038039983 /nfs/dbraw/zinc/03/99/83/1038039983.db2.gz PDWUDLLRAFUEKR-UHFFFAOYSA-N 1 3 359.514 2.717 20 0 FFADHO COC(=O)COc1ccccc1CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376935 1038060945 /nfs/dbraw/zinc/06/09/45/1038060945.db2.gz WIKKSNILHCCIQO-KRWDZBQOSA-N 1 3 360.498 2.983 20 0 FFADHO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001255633906 1038096022 /nfs/dbraw/zinc/09/60/22/1038096022.db2.gz QBELXVYZRTTXKO-GOEBONIOSA-N 1 3 371.447 2.732 20 0 FFADHO Cc1cc(F)cc(CN(Cc2ccc3n2CCNC3)C2CC[NH2+]CC2)c1 ZINC001236482467 1038108667 /nfs/dbraw/zinc/10/86/67/1038108667.db2.gz HNFRYYOEXQOOTP-UHFFFAOYSA-N 1 3 356.489 2.793 20 0 FFADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3CCc2cccc(F)c2)CC1 ZINC001208196376 1038130374 /nfs/dbraw/zinc/13/03/74/1038130374.db2.gz CACRSRNIAYRHMI-NHCUHLMSSA-N 1 3 373.516 2.775 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255940956 1038265877 /nfs/dbraw/zinc/26/58/77/1038265877.db2.gz JVEAVPUFMFGBFT-WNRNVDISSA-N 1 3 369.550 2.578 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255940823 1038267462 /nfs/dbraw/zinc/26/74/62/1038267462.db2.gz HAZMCTPQSOWSLA-SFHVURJKSA-N 1 3 370.582 2.639 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001255994048 1038300087 /nfs/dbraw/zinc/30/00/87/1038300087.db2.gz LCSJZDZBMFEKQH-IRXDYDNUSA-N 1 3 356.507 2.504 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001208530355 1038388306 /nfs/dbraw/zinc/38/83/06/1038388306.db2.gz RCEKHXUKWCSJKL-MISYRCLQSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001208530355 1038388317 /nfs/dbraw/zinc/38/83/17/1038388317.db2.gz RCEKHXUKWCSJKL-MISYRCLQSA-N 1 3 367.578 2.606 20 0 FFADHO CN1C[C@@H]2C[N@@H+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001236981440 1038396426 /nfs/dbraw/zinc/39/64/26/1038396426.db2.gz WIVYFWNBGVQGHX-CALCHBBNSA-N 1 3 357.498 2.978 20 0 FFADHO CN1C[C@@H]2C[N@H+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001236981440 1038396441 /nfs/dbraw/zinc/39/64/41/1038396441.db2.gz WIVYFWNBGVQGHX-CALCHBBNSA-N 1 3 357.498 2.978 20 0 FFADHO CC[NH+]1CCC(CN2CCN(c3cccc(OCCOC)c3)CC2)CC1 ZINC001208601911 1038440810 /nfs/dbraw/zinc/44/08/10/1038440810.db2.gz SQQJDDKELMEDRW-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208609538 1038445572 /nfs/dbraw/zinc/44/55/72/1038445572.db2.gz MFGPVWTVPLHGFR-RTBURBONSA-N 1 3 361.530 2.677 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208609538 1038445575 /nfs/dbraw/zinc/44/55/75/1038445575.db2.gz MFGPVWTVPLHGFR-RTBURBONSA-N 1 3 361.530 2.677 20 0 FFADHO CC(=O)N1CCC(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001208674401 1038481741 /nfs/dbraw/zinc/48/17/41/1038481741.db2.gz PRMHZQAXHCRQHT-UHFFFAOYSA-N 1 3 355.526 2.843 20 0 FFADHO COc1ccc2c(c1)c(C[NH3+])nn2C1CCN(Cc2ccncc2)CC1 ZINC001256586343 1038569996 /nfs/dbraw/zinc/56/99/96/1038569996.db2.gz DJKQIZKELUJGKK-UHFFFAOYSA-N 1 3 351.454 2.736 20 0 FFADHO O=C1NCCC2(CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC001208942093 1038596593 /nfs/dbraw/zinc/59/65/93/1038596593.db2.gz GGTCESFFMVVRDE-LJQANCHMSA-N 1 3 357.498 2.863 20 0 FFADHO O=C1NCCC2(CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC001208942093 1038596595 /nfs/dbraw/zinc/59/65/95/1038596595.db2.gz GGTCESFFMVVRDE-LJQANCHMSA-N 1 3 357.498 2.863 20 0 FFADHO c1ccc(CC2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)nc1 ZINC001256681204 1038600782 /nfs/dbraw/zinc/60/07/82/1038600782.db2.gz OKQQJNKVWXDUFU-UHFFFAOYSA-N 1 3 373.541 2.654 20 0 FFADHO O=C([C@H]1CCCC[N@@H+]1C[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC001208947318 1038601166 /nfs/dbraw/zinc/60/11/66/1038601166.db2.gz AOSFGIBRWXGZBO-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@H]1CCCC[N@H+]1C[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC001208947318 1038601167 /nfs/dbraw/zinc/60/11/67/1038601167.db2.gz AOSFGIBRWXGZBO-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CCCC[N@@H+]1C[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC001208947319 1038601220 /nfs/dbraw/zinc/60/12/20/1038601220.db2.gz AOSFGIBRWXGZBO-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CCCC[N@H+]1C[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC001208947319 1038601223 /nfs/dbraw/zinc/60/12/23/1038601223.db2.gz AOSFGIBRWXGZBO-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO O=C1CCCCN1c1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256687494 1038602693 /nfs/dbraw/zinc/60/26/93/1038602693.db2.gz WNVMQQOQLCMVCH-UHFFFAOYSA-N 1 3 371.525 2.937 20 0 FFADHO COc1cccc2c1C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CS2 ZINC001256686773 1038602779 /nfs/dbraw/zinc/60/27/79/1038602779.db2.gz DDAJMKGFZKQKCI-CGZBRXJRSA-N 1 3 362.539 2.945 20 0 FFADHO c1cn(C2CCC(N3CCOCC3)CC2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001256696269 1038607058 /nfs/dbraw/zinc/60/70/58/1038607058.db2.gz ZBIZQJDCNFRKOX-UHFFFAOYSA-N 1 3 368.525 2.867 20 0 FFADHO Cc1nccnc1O[C@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208961095 1038608056 /nfs/dbraw/zinc/60/80/56/1038608056.db2.gz YWUIOBNLIPIHPT-PMACEKPBSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1nccnc1O[C@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208961095 1038608058 /nfs/dbraw/zinc/60/80/58/1038608058.db2.gz YWUIOBNLIPIHPT-PMACEKPBSA-N 1 3 352.482 2.760 20 0 FFADHO CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3N3CCC(O)CC3)C2)C1 ZINC001278990356 1038709658 /nfs/dbraw/zinc/70/96/58/1038709658.db2.gz XLFFVJWSXVRIDU-QFIPXVFZSA-N 1 3 357.542 2.956 20 0 FFADHO CN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3N3CCC(O)CC3)C2)C1 ZINC001278990356 1038709663 /nfs/dbraw/zinc/70/96/63/1038709663.db2.gz XLFFVJWSXVRIDU-QFIPXVFZSA-N 1 3 357.542 2.956 20 0 FFADHO CCCCCC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001257366525 1038774844 /nfs/dbraw/zinc/77/48/44/1038774844.db2.gz WHAXCIMNAUHUIW-IBGZPJMESA-N 1 3 366.594 2.516 20 0 FFADHO O=C1[C@@H]2CN(CCC[NH+]3CCCCC3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001209450587 1038876341 /nfs/dbraw/zinc/87/63/41/1038876341.db2.gz SMZCVLPNZOHEOX-AZUAARDMSA-N 1 3 359.489 2.592 20 0 FFADHO O=C1Nc2ccc(C3=CC[C@H](N4CCOCC4)CC3)cc2C12CC[NH2+]CC2 ZINC001245424637 1039002147 /nfs/dbraw/zinc/00/21/47/1039002147.db2.gz MBCWDXJAFVHUTJ-SFHVURJKSA-N 1 3 367.493 2.528 20 0 FFADHO COC(=O)[C@H]1CCCN(C2CC[NH+](Cc3c(C)[nH]c4ncccc34)CC2)C1 ZINC001209595854 1039031477 /nfs/dbraw/zinc/03/14/77/1039031477.db2.gz QGYDEXFSRWMRBO-INIZCTEOSA-N 1 3 370.497 2.721 20 0 FFADHO CC(C)C[NH+]1CCC(N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)CC1 ZINC001258015570 1039115646 /nfs/dbraw/zinc/11/56/46/1039115646.db2.gz WZMOICLDTYNNLP-MSOLQXFVSA-N 1 3 362.543 2.552 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@H]1CCCCN1C ZINC001251411213 1039116381 /nfs/dbraw/zinc/11/63/81/1039116381.db2.gz CUTZYFNXWOMDCV-OAHLLOKOSA-N 1 3 366.472 2.777 20 0 FFADHO C[C@@H]1CCN(C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C[C@H]1C[NH3+] ZINC001246022171 1039197718 /nfs/dbraw/zinc/19/77/18/1039197718.db2.gz PSXYZRCIYFIVDB-BRWVUGGUSA-N 1 3 367.493 2.978 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+][C@H]3CNCC34CC4)CC[C@H]2C1 ZINC001246127111 1039251088 /nfs/dbraw/zinc/25/10/88/1039251088.db2.gz AMIVJYZGUULNLQ-HAGHYFMRSA-N 1 3 353.510 2.659 20 0 FFADHO CSCC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258200651 1039266244 /nfs/dbraw/zinc/26/62/44/1039266244.db2.gz VHDNSFCABQLSGF-AEFFLSMTSA-N 1 3 363.571 2.533 20 0 FFADHO CCOC(=O)C1=C(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCNC1 ZINC001246285799 1039298541 /nfs/dbraw/zinc/29/85/41/1039298541.db2.gz VZZLHSBIUPZZFC-LDLYASANSA-N 1 3 369.509 2.582 20 0 FFADHO CCOC(=O)C1=C(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCNC1 ZINC001246285799 1039298549 /nfs/dbraw/zinc/29/85/49/1039298549.db2.gz VZZLHSBIUPZZFC-LDLYASANSA-N 1 3 369.509 2.582 20 0 FFADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246299799 1039303071 /nfs/dbraw/zinc/30/30/71/1039303071.db2.gz KUIRVZOIUOKBHL-XUWVNRHRSA-N 1 3 370.534 2.782 20 0 FFADHO COc1cccc2c1C[C@H]([NH2+][C@@H]1CCN[C@@H](Cc3ccccc3)C1)CO2 ZINC001246314937 1039309836 /nfs/dbraw/zinc/30/98/36/1039309836.db2.gz CKBRFGMDOWMZJJ-QYZOEREBSA-N 1 3 352.478 2.952 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CCN1 ZINC001246388608 1039333519 /nfs/dbraw/zinc/33/35/19/1039333519.db2.gz FRZYIJLLQMGFFD-PBHICJAKSA-N 1 3 370.946 2.560 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1[C@H]1CCc3c(cccc3OC)C1)CC[NH2+]CC2 ZINC001246599330 1039408182 /nfs/dbraw/zinc/40/81/82/1039408182.db2.gz CLAHXZRFHVJYKK-HKUYNNGSSA-N 1 3 372.509 2.560 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]1CNCCC2 ZINC001246596156 1039409255 /nfs/dbraw/zinc/40/92/55/1039409255.db2.gz PBWNTISFGMTWTK-MPTYRVRUSA-N 1 3 362.436 2.972 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]1CNCCC2 ZINC001246596156 1039409260 /nfs/dbraw/zinc/40/92/60/1039409260.db2.gz PBWNTISFGMTWTK-MPTYRVRUSA-N 1 3 362.436 2.972 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1C ZINC001210179819 1039420659 /nfs/dbraw/zinc/42/06/59/1039420659.db2.gz RWNKAVSANLTTFQ-VAMGGRTRSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1C ZINC001210179819 1039420668 /nfs/dbraw/zinc/42/06/68/1039420668.db2.gz RWNKAVSANLTTFQ-VAMGGRTRSA-N 1 3 367.578 2.894 20 0 FFADHO c1ccc([C@@H]2CC[C@@H](N3CCN(C4=NOC5(C4)CC[NH2+]CC5)CC3)C2)cc1 ZINC001246658176 1039430537 /nfs/dbraw/zinc/43/05/37/1039430537.db2.gz OBDGKPKVSFBRNU-WOJBJXKFSA-N 1 3 368.525 2.796 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)CCN1 ZINC001246707174 1039443161 /nfs/dbraw/zinc/44/31/61/1039443161.db2.gz MZZTXWMUYXCRQA-LMCOJAPRSA-N 1 3 373.516 2.883 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)CCN1 ZINC001246707174 1039443168 /nfs/dbraw/zinc/44/31/68/1039443168.db2.gz MZZTXWMUYXCRQA-LMCOJAPRSA-N 1 3 373.516 2.883 20 0 FFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cccc(Cl)n3)C2)C1 ZINC001278646436 1039445197 /nfs/dbraw/zinc/44/51/97/1039445197.db2.gz ZOTBVYQPQJVWJY-IBGZPJMESA-N 1 3 350.938 2.975 20 0 FFADHO C[C@@H]1C[C@H](N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CC[NH2+]1 ZINC001246721176 1039449983 /nfs/dbraw/zinc/44/99/83/1039449983.db2.gz KFSVNUMREWAAEY-KURKYZTESA-N 1 3 363.571 2.944 20 0 FFADHO CC(C)[C@@H]1C[C@H](N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]1 ZINC001246749011 1039464155 /nfs/dbraw/zinc/46/41/55/1039464155.db2.gz QJVPGYDRIAHJAU-ZFMNYDKASA-N 1 3 361.505 2.740 20 0 FFADHO Brc1cccc([C@H]2CN([C@@H]3CCC4(C[NH2+]C4)C3)CCN2)c1 ZINC001246803351 1039484237 /nfs/dbraw/zinc/48/42/37/1039484237.db2.gz BXRANYGANKKAPK-HZPDHXFCSA-N 1 3 350.304 2.538 20 0 FFADHO Brc1cccc([C@@H]2CN([C@@H]3CCC4(C[NH2+]C4)C3)CCN2)c1 ZINC001246803347 1039484381 /nfs/dbraw/zinc/48/43/81/1039484381.db2.gz BXRANYGANKKAPK-CVEARBPZSA-N 1 3 350.304 2.538 20 0 FFADHO CC1(C)C[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246809038 1039489438 /nfs/dbraw/zinc/48/94/38/1039489438.db2.gz ZQJMSOWKSQWECK-CVEARBPZSA-N 1 3 352.320 2.926 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CC2)Cc2ccccc2CNC3=O)CC1 ZINC001258775092 1039511351 /nfs/dbraw/zinc/51/13/51/1039511351.db2.gz ZHRQGAOAJUHLEK-UHFFFAOYSA-N 1 3 355.526 2.816 20 0 FFADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001258806851 1039523735 /nfs/dbraw/zinc/52/37/35/1039523735.db2.gz CETYSUGQGGEENE-MISYRCLQSA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)OC[C@@H](O)C[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001252678523 1039645106 /nfs/dbraw/zinc/64/51/06/1039645106.db2.gz ZZXLHDKJGDLGBC-HKUYNNGSSA-N 1 3 350.503 2.742 20 0 FFADHO Cc1cccnc1C1(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252950337 1039855316 /nfs/dbraw/zinc/85/53/16/1039855316.db2.gz JQKYGJSYGHFIGX-JOCHJYFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1cccnc1C1(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252950337 1039855348 /nfs/dbraw/zinc/85/53/48/1039855348.db2.gz JQKYGJSYGHFIGX-JOCHJYFZSA-N 1 3 351.494 2.648 20 0 FFADHO c1cc(-c2noc(CC3CCC4(CC[NH2+]CC4)CC3)n2)nc2c1CNCC2 ZINC001247828237 1039975784 /nfs/dbraw/zinc/97/57/84/1039975784.db2.gz JLFPASUWTFZENS-UHFFFAOYSA-N 1 3 367.497 2.880 20 0 FFADHO FC(F)(F)c1cc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)ccc1Cl ZINC001247831216 1039978349 /nfs/dbraw/zinc/97/83/49/1039978349.db2.gz RDVIRUVYHKNLNF-SNVBAGLBSA-N 1 3 358.751 2.685 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNC1(Cc2cccc(Cl)c2)CCOCC1 ZINC001253213911 1040050463 /nfs/dbraw/zinc/05/04/63/1040050463.db2.gz MMPNRSXBMKTIKW-SFHVURJKSA-N 1 3 354.922 2.724 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211344054 1040092504 /nfs/dbraw/zinc/09/25/04/1040092504.db2.gz ZSUSQKSEUFRJOG-YLJYHZDGSA-N 1 3 361.505 2.969 20 0 FFADHO CC(C)(C)OC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001253480846 1040202985 /nfs/dbraw/zinc/20/29/85/1040202985.db2.gz QNFUEWNRBOHKFE-SFHVURJKSA-N 1 3 352.494 2.803 20 0 FFADHO CC(C)c1nc(CC[N@H+](C)CC2(O)CCN(Cc3ccccc3)CC2)no1 ZINC001254035068 1040538604 /nfs/dbraw/zinc/53/86/04/1040538604.db2.gz RASBNBPCBOMGFY-UHFFFAOYSA-N 1 3 372.513 2.694 20 0 FFADHO CC(C)c1nc(CC[N@@H+](C)CC2(O)CCN(Cc3ccccc3)CC2)no1 ZINC001254035068 1040538623 /nfs/dbraw/zinc/53/86/23/1040538623.db2.gz RASBNBPCBOMGFY-UHFFFAOYSA-N 1 3 372.513 2.694 20 0 FFADHO CC(C)c1nc(CCN(C)CC2(O)CC[NH+](Cc3ccccc3)CC2)no1 ZINC001254035068 1040538641 /nfs/dbraw/zinc/53/86/41/1040538641.db2.gz RASBNBPCBOMGFY-UHFFFAOYSA-N 1 3 372.513 2.694 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CCN([C@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254530695 1040782546 /nfs/dbraw/zinc/78/25/46/1040782546.db2.gz BATWNQWIQVTNJV-ICSRJNTNSA-N 1 3 359.514 2.764 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CCN([C@H]3CCC[N@@H+](C)CC3)C2)cc1 ZINC001254530695 1040782558 /nfs/dbraw/zinc/78/25/58/1040782558.db2.gz BATWNQWIQVTNJV-ICSRJNTNSA-N 1 3 359.514 2.764 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]CCCN1CCCC1)CS2 ZINC001254679941 1040873690 /nfs/dbraw/zinc/87/36/90/1040873690.db2.gz RQUQDUVCSJMDPA-HNNXBMFYSA-N 1 3 355.548 2.557 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NCCC[NH+]1CCCC1)CS2 ZINC001254679941 1040873703 /nfs/dbraw/zinc/87/37/03/1040873703.db2.gz RQUQDUVCSJMDPA-HNNXBMFYSA-N 1 3 355.548 2.557 20 0 FFADHO CO[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001213933654 1041085469 /nfs/dbraw/zinc/08/54/69/1041085469.db2.gz CRCXZUUSLKOKAE-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001213933654 1041085483 /nfs/dbraw/zinc/08/54/83/1041085483.db2.gz CRCXZUUSLKOKAE-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO O=C1NCC2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)O1 ZINC001255148754 1041169794 /nfs/dbraw/zinc/16/97/94/1041169794.db2.gz ZSEYDFGNEKTEQG-BWTSREIZSA-N 1 3 355.482 2.756 20 0 FFADHO O=C1NCC2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)O1 ZINC001255148754 1041169800 /nfs/dbraw/zinc/16/98/00/1041169800.db2.gz ZSEYDFGNEKTEQG-BWTSREIZSA-N 1 3 355.482 2.756 20 0 FFADHO c1ccc(CN2CCC[C@@H]([NH2+]CC3CCN(C4COC4)CC3)CC2)cc1 ZINC001255396020 1041318943 /nfs/dbraw/zinc/31/89/43/1041318943.db2.gz GOMKEOHXVFPRGP-OAQYLSRUSA-N 1 3 357.542 2.742 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc(F)c1 ZINC001250807889 1041376450 /nfs/dbraw/zinc/37/64/50/1041376450.db2.gz HMCIZCRQZQSJEZ-FHWLQOOXSA-N 1 3 350.478 2.904 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc(F)c1 ZINC001250807889 1041376463 /nfs/dbraw/zinc/37/64/63/1041376463.db2.gz HMCIZCRQZQSJEZ-FHWLQOOXSA-N 1 3 350.478 2.904 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001214855667 1041595353 /nfs/dbraw/zinc/59/53/53/1041595353.db2.gz KKEGIIMMEQCGMO-UIFIKXQLSA-N 1 3 357.542 2.786 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001214861205 1041597926 /nfs/dbraw/zinc/59/79/26/1041597926.db2.gz KSTXJJPFFGEZJY-WIYYLYMNSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2c(F)cccc2F)C1)N(C)C ZINC001214952837 1041629473 /nfs/dbraw/zinc/62/94/73/1041629473.db2.gz OQUHJSLSPUDICZ-NIKGAXFTSA-N 1 3 367.484 2.674 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC/C(Cl)=C\Cl ZINC001215069198 1041658012 /nfs/dbraw/zinc/65/80/12/1041658012.db2.gz FCWNOQPHOCQERV-JZMUSQPISA-N 1 3 353.253 2.703 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001215972969 1041920698 /nfs/dbraw/zinc/92/06/98/1041920698.db2.gz IKNLKQJPFGOQFK-VAMGGRTRSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001215972968 1041920802 /nfs/dbraw/zinc/92/08/02/1041920802.db2.gz IKNLKQJPFGOQFK-HSALFYBXSA-N 1 3 367.578 2.894 20 0 FFADHO COc1ccc(C)cc1CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216459141 1042030578 /nfs/dbraw/zinc/03/05/78/1042030578.db2.gz PSSCEVSZLSWBKV-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)CC[C@@H]2C1 ZINC001264100711 1042626122 /nfs/dbraw/zinc/62/61/22/1042626122.db2.gz DJULEWBGFCOMJY-BBWFWOEESA-N 1 3 357.489 2.542 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)CC[C@@H]2C1 ZINC001264100711 1042626125 /nfs/dbraw/zinc/62/61/25/1042626125.db2.gz DJULEWBGFCOMJY-BBWFWOEESA-N 1 3 357.489 2.542 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1)[NH+](C)C ZINC001264477343 1042688389 /nfs/dbraw/zinc/68/83/89/1042688389.db2.gz DDFZYTXULNPPJH-QMTMVMCOSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC)C1)N(C)C ZINC001264478422 1042689093 /nfs/dbraw/zinc/68/90/93/1042689093.db2.gz BHHISZUNHAWWPP-UHOSZYNNSA-N 1 3 361.530 2.718 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4cccc(F)n4)C[C@H]3CC2)[nH]1 ZINC001279227110 1042954126 /nfs/dbraw/zinc/95/41/26/1042954126.db2.gz UTHGWRQTIJJTNN-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4cccc(F)n4)C[C@H]3CC2)[nH]1 ZINC001279227110 1042954128 /nfs/dbraw/zinc/95/41/28/1042954128.db2.gz UTHGWRQTIJJTNN-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1nc3c(s1)CCCC3)C2 ZINC001279289255 1042984976 /nfs/dbraw/zinc/98/49/76/1042984976.db2.gz GEOXINJBNLESIX-HXUWFJFHSA-N 1 3 362.587 2.871 20 0 FFADHO COc1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c(C)c1 ZINC001279299958 1042989982 /nfs/dbraw/zinc/98/99/82/1042989982.db2.gz FDYDTNKWJDFOFX-UHFFFAOYSA-N 1 3 354.498 2.798 20 0 FFADHO Cc1ncc(CN[C@@]23CC[C@@]([NH2+]Cc4cccc(=O)[nH]4)(C2)CCC3)n1C ZINC001279398972 1043054964 /nfs/dbraw/zinc/05/49/64/1043054964.db2.gz AFBJUPGHASQKFT-UXHICEINSA-N 1 3 355.486 2.554 20 0 FFADHO Cc1ncc(C[NH2+][C@@]23CC[C@@](NCc4cccc(=O)[nH]4)(C2)CCC3)n1C ZINC001279398972 1043054979 /nfs/dbraw/zinc/05/49/79/1043054979.db2.gz AFBJUPGHASQKFT-UXHICEINSA-N 1 3 355.486 2.554 20 0 FFADHO Cc1ccnc(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279406982 1043067550 /nfs/dbraw/zinc/06/75/50/1043067550.db2.gz JCPFAQZTEWZTLD-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1ccnc(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279406982 1043067561 /nfs/dbraw/zinc/06/75/61/1043067561.db2.gz JCPFAQZTEWZTLD-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc3ccnc(Cl)c3c1)C2 ZINC001279451494 1043130350 /nfs/dbraw/zinc/13/03/50/1043130350.db2.gz LSXQEMLZCYBKPC-AEFFLSMTSA-N 1 3 358.917 2.956 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)c(CC)c2)CCC12C[NH2+]C2 ZINC001237428516 1043152964 /nfs/dbraw/zinc/15/29/64/1043152964.db2.gz ARAKHMPWZUFAQD-INIZCTEOSA-N 1 3 350.890 2.877 20 0 FFADHO CN(C)CC1(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)CCCC1 ZINC001279492703 1043179830 /nfs/dbraw/zinc/17/98/30/1043179830.db2.gz OCGKXNKEQLYNKI-OALUTQOASA-N 1 3 358.530 2.558 20 0 FFADHO CN(C)CC1(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)CCCC1 ZINC001279492703 1043179832 /nfs/dbraw/zinc/17/98/32/1043179832.db2.gz OCGKXNKEQLYNKI-OALUTQOASA-N 1 3 358.530 2.558 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@H]2CC1 ZINC001279569500 1043271493 /nfs/dbraw/zinc/27/14/93/1043271493.db2.gz CNEZZMPXDRZEBO-HDICACEKSA-N 1 3 365.468 2.856 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@H]2CC1 ZINC001279569500 1043271499 /nfs/dbraw/zinc/27/14/99/1043271499.db2.gz CNEZZMPXDRZEBO-HDICACEKSA-N 1 3 365.468 2.856 20 0 FFADHO C[NH+](C)CCN1C[C@@H]2CCN(Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC001279584077 1043295068 /nfs/dbraw/zinc/29/50/68/1043295068.db2.gz LGCPNHYPYZAZGT-PKOBYXMFSA-N 1 3 356.539 2.878 20 0 FFADHO CCOc1ncc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1C ZINC001279584154 1043295325 /nfs/dbraw/zinc/29/53/25/1043295325.db2.gz WCVSQYQRTKTQAU-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO CCOc1ncc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cc1C ZINC001279584154 1043295333 /nfs/dbraw/zinc/29/53/33/1043295333.db2.gz WCVSQYQRTKTQAU-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc(COC)cc3)(C1)CCC2 ZINC001279583747 1043295519 /nfs/dbraw/zinc/29/55/19/1043295519.db2.gz UJAGCQDYTFFAIC-RTWAWAEBSA-N 1 3 362.514 2.978 20 0 FFADHO C[NH+](C)CCN1CC2(CN(CCCc3ccc(Br)cc3)C2)C1 ZINC001279594963 1043311964 /nfs/dbraw/zinc/31/19/64/1043311964.db2.gz GRMQOWZCDCIIRJ-UHFFFAOYSA-N 1 3 366.347 2.561 20 0 FFADHO C[NH+]1CCC(CN2CC3(CCN3CCc3c[nH]c4ccccc34)C2)CC1 ZINC001279609768 1043335529 /nfs/dbraw/zinc/33/55/29/1043335529.db2.gz WIFKRIROBIMFTN-UHFFFAOYSA-N 1 3 352.526 2.812 20 0 FFADHO c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccc3[nH]cnc3c2)cn1 ZINC001279645659 1043393284 /nfs/dbraw/zinc/39/32/84/1043393284.db2.gz FWBYGOVIXQYVBX-AYHJJNSGSA-N 1 3 350.470 2.545 20 0 FFADHO c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccc3nc[nH]c3c2)cn1 ZINC001279645659 1043393293 /nfs/dbraw/zinc/39/32/93/1043393293.db2.gz FWBYGOVIXQYVBX-AYHJJNSGSA-N 1 3 350.470 2.545 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(-n3ccnc3)cc1Cl)C2 ZINC001279657326 1043414161 /nfs/dbraw/zinc/41/41/61/1043414161.db2.gz NRNNXYQNGODCNY-APWZRJJASA-N 1 3 373.932 2.593 20 0 FFADHO Cc1cc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cnc1C ZINC001279706671 1043500978 /nfs/dbraw/zinc/50/09/78/1043500978.db2.gz HOCQVTRYZLODJO-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO Cc1cc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cnc1C ZINC001279706671 1043500986 /nfs/dbraw/zinc/50/09/86/1043500986.db2.gz HOCQVTRYZLODJO-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4ccccc4Cl)(C2)C3)CC1 ZINC001279949145 1043970471 /nfs/dbraw/zinc/97/04/71/1043970471.db2.gz XVLJCSZMTDMBFO-UHFFFAOYSA-N 1 3 361.917 2.905 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001312082738 1044036868 /nfs/dbraw/zinc/03/68/68/1044036868.db2.gz DDNKKRABPHUVCU-UHFFFAOYSA-N 1 3 372.557 2.601 20 0 FFADHO CCCCOc1ccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239214081 1044071308 /nfs/dbraw/zinc/07/13/08/1044071308.db2.gz FTUGQVSHKMCWTF-QGZVFWFLSA-N 1 3 360.502 2.861 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Cl)cc1Cl ZINC001239213650 1044071826 /nfs/dbraw/zinc/07/18/26/1044071826.db2.gz DGIYLNQCZAJRIO-GFCCVEGCSA-N 1 3 357.285 2.989 20 0 FFADHO NCCC[NH2+]CCCNC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC001239252840 1044085912 /nfs/dbraw/zinc/08/59/12/1044085912.db2.gz JNZOCSBAZKHPDY-UHFFFAOYSA-N 1 3 352.788 2.809 20 0 FFADHO CN(C)CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001239307809 1044096743 /nfs/dbraw/zinc/09/67/43/1044096743.db2.gz JDMWSVATMLARDH-HNNXBMFYSA-N 1 3 358.408 2.853 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC001312995266 1044206888 /nfs/dbraw/zinc/20/68/88/1044206888.db2.gz UFXMDYGJCWTZPD-PGRDOPGGSA-N 1 3 374.573 2.926 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC001312995266 1044206897 /nfs/dbraw/zinc/20/68/97/1044206897.db2.gz UFXMDYGJCWTZPD-PGRDOPGGSA-N 1 3 374.573 2.926 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CCN3CCCCc2ccccc2)CC1 ZINC001280157115 1044319644 /nfs/dbraw/zinc/31/96/44/1044319644.db2.gz GRRBHMYKEBGZLH-SIKLNZKXSA-N 1 3 355.526 2.684 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001313422752 1044352095 /nfs/dbraw/zinc/35/20/95/1044352095.db2.gz CCHXDSSXZXXYCQ-PCCBWWKXSA-N 1 3 370.541 2.553 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001313422752 1044352109 /nfs/dbraw/zinc/35/21/09/1044352109.db2.gz CCHXDSSXZXXYCQ-PCCBWWKXSA-N 1 3 370.541 2.553 20 0 FFADHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@]3(CCCN(C[C@@H](C)O)C3)C2)cc1 ZINC001280186793 1044370169 /nfs/dbraw/zinc/37/01/69/1044370169.db2.gz SOBDGQMTZNKYGL-DYESRHJHSA-N 1 3 359.514 2.704 20 0 FFADHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@]3(CCCN(C[C@@H](C)O)C3)C2)cc1 ZINC001280186793 1044370178 /nfs/dbraw/zinc/37/01/78/1044370178.db2.gz SOBDGQMTZNKYGL-DYESRHJHSA-N 1 3 359.514 2.704 20 0 FFADHO CN(C)CCC[N@@H+]1CCCC2(CN(C(=O)Nc3cc(F)ccc3F)C2)C1 ZINC001280224680 1044422381 /nfs/dbraw/zinc/42/23/81/1044422381.db2.gz OMURVPPZTROEJM-UHFFFAOYSA-N 1 3 366.456 2.846 20 0 FFADHO CN(C)CCC[N@H+]1CCCC2(CN(C(=O)Nc3cc(F)ccc3F)C2)C1 ZINC001280224680 1044422385 /nfs/dbraw/zinc/42/23/85/1044422385.db2.gz OMURVPPZTROEJM-UHFFFAOYSA-N 1 3 366.456 2.846 20 0 FFADHO CC[N@H+](CCn1c(CC2CC2)nnc1N1CCN(C(C)(C)C)CC1)C1CC1 ZINC001313819608 1044425972 /nfs/dbraw/zinc/42/59/72/1044425972.db2.gz NIEKROPZOKCIBM-UHFFFAOYSA-N 1 3 374.577 2.635 20 0 FFADHO CC[N@@H+](CCn1c(CC2CC2)nnc1N1CCN(C(C)(C)C)CC1)C1CC1 ZINC001313819608 1044425974 /nfs/dbraw/zinc/42/59/74/1044425974.db2.gz NIEKROPZOKCIBM-UHFFFAOYSA-N 1 3 374.577 2.635 20 0 FFADHO C[NH+]1CCC(n2cc(-c3cccc4cc([C@@H]5CNCCO5)cn43)cn2)CC1 ZINC001242729819 1044782076 /nfs/dbraw/zinc/78/20/76/1044782076.db2.gz UKAVVRBDJCOILQ-NRFANRHFSA-N 1 3 365.481 2.730 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3ccccc3Cl)C[C@H]2C1 ZINC001316756338 1044911277 /nfs/dbraw/zinc/91/12/77/1044911277.db2.gz VAUUFMGNCIORGA-AEFFLSMTSA-N 1 3 363.933 2.962 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCCc2ccccc2)CC[N@@H+]1C ZINC001318197995 1045240552 /nfs/dbraw/zinc/24/05/52/1045240552.db2.gz QWXSTZBEYPDUJS-BVOGOJNSSA-N 1 3 355.526 2.635 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCCc2ccccc2)CC[N@H+]1C ZINC001318197995 1045240565 /nfs/dbraw/zinc/24/05/65/1045240565.db2.gz QWXSTZBEYPDUJS-BVOGOJNSSA-N 1 3 355.526 2.635 20 0 FFADHO C[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322161177 1045973470 /nfs/dbraw/zinc/97/34/70/1045973470.db2.gz RBEZTHPTMOCBTN-JJRVBVJISA-N 1 3 371.447 2.982 20 0 FFADHO C[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322161177 1045973479 /nfs/dbraw/zinc/97/34/79/1045973479.db2.gz RBEZTHPTMOCBTN-JJRVBVJISA-N 1 3 371.447 2.982 20 0 FFADHO C[C@H](CNC(=O)N1CCCC2(CC[NH2+]CC2)C1)N(C)Cc1ccccc1 ZINC001325667117 1046602771 /nfs/dbraw/zinc/60/27/71/1046602771.db2.gz QNGOKNICTRLQRD-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1nn(CCO)c(C)c1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001326200929 1046807360 /nfs/dbraw/zinc/80/73/60/1046807360.db2.gz FXDUBMCBFZXPFN-IFMALSPDSA-N 1 3 370.541 2.664 20 0 FFADHO C[C@@H](OCCCNC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001326277897 1046843622 /nfs/dbraw/zinc/84/36/22/1046843622.db2.gz PBITZGSYDWYGSD-LJQANCHMSA-N 1 3 373.541 2.736 20 0 FFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001331957416 1048185471 /nfs/dbraw/zinc/18/54/71/1048185471.db2.gz FGMBOEJJTSJRMZ-WMZHIEFXSA-N 1 3 367.537 2.688 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1nc2ccccc2s1 ZINC001328447341 1048307802 /nfs/dbraw/zinc/30/78/02/1048307802.db2.gz HIAOZPNNFYRVTC-HNNXBMFYSA-N 1 3 362.543 2.617 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1nc2ccccc2s1 ZINC001328447341 1048307808 /nfs/dbraw/zinc/30/78/08/1048307808.db2.gz HIAOZPNNFYRVTC-HNNXBMFYSA-N 1 3 362.543 2.617 20 0 FFADHO C[C@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)N(C)Cc1ccccc1 ZINC001333671651 1049044149 /nfs/dbraw/zinc/04/41/49/1049044149.db2.gz YUDKLURLVHMMFG-QGZVFWFLSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCN1CC=CCC1 ZINC001541354799 1071084796 /nfs/dbraw/zinc/08/47/96/1071084796.db2.gz IQNXIFLIWPBRIV-LJQANCHMSA-N 1 3 372.561 2.728 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CCC[NH+](CC)CC)C[C@@H]1C ZINC001295533629 1049945120 /nfs/dbraw/zinc/94/51/20/1049945120.db2.gz FSFJLLQOSMXAIY-DLBZAZTESA-N 1 3 362.566 2.806 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001295991143 1050009680 /nfs/dbraw/zinc/00/96/80/1050009680.db2.gz ACEDQOKUHOUGKI-IRXDYDNUSA-N 1 3 374.577 2.949 20 0 FFADHO C[NH+](C)CCCOc1cccc(NC(=O)c2cc3c(s2)CNCC3)c1 ZINC001341597913 1050225334 /nfs/dbraw/zinc/22/53/34/1050225334.db2.gz DREOIWSQYLHFAN-UHFFFAOYSA-N 1 3 359.495 2.977 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3cc4c(s3)C[NH2+]CC4)cc2)CC1 ZINC001341627513 1050253753 /nfs/dbraw/zinc/25/37/53/1050253753.db2.gz QBCNPDGKYLWIQH-UHFFFAOYSA-N 1 3 370.522 2.788 20 0 FFADHO CCN(C(=O)c1ccn(CCC[NH3+])n1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001340056126 1050464965 /nfs/dbraw/zinc/46/49/65/1050464965.db2.gz HHAOUJHCUBXDBT-MJGOQNOKSA-N 1 3 369.513 2.530 20 0 FFADHO CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001340232028 1050639433 /nfs/dbraw/zinc/63/94/33/1050639433.db2.gz DAJSSNBVYKNQLC-KFKAGJAMSA-N 1 3 374.529 2.555 20 0 FFADHO [NH3+]C[C@@H](NC(=O)c1cc2c(s1)CNCC2)c1ccc2ccccc2c1 ZINC001340923010 1051252279 /nfs/dbraw/zinc/25/22/79/1051252279.db2.gz ORSFLWZQBBDIIH-QGZVFWFLSA-N 1 3 351.475 2.977 20 0 FFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342756335 1051371572 /nfs/dbraw/zinc/37/15/72/1051371572.db2.gz HKWLIDPVHYAKPY-WIRSXHRWSA-N 1 3 369.509 2.512 20 0 FFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342756335 1051371584 /nfs/dbraw/zinc/37/15/84/1051371584.db2.gz HKWLIDPVHYAKPY-WIRSXHRWSA-N 1 3 369.509 2.512 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342758640 1051374627 /nfs/dbraw/zinc/37/46/27/1051374627.db2.gz RECCBPQRFUHZMB-XYJFISCASA-N 1 3 359.514 2.520 20 0 FFADHO CC1([NH+]2CCCC2)CCC(NC(=O)c2ccc3c(c2)OCCNC3)CC1 ZINC001341090256 1051436316 /nfs/dbraw/zinc/43/63/16/1051436316.db2.gz PQOUBZPMEDNFFI-UHFFFAOYSA-N 1 3 357.498 2.696 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC001303801673 1051449989 /nfs/dbraw/zinc/44/99/89/1051449989.db2.gz PPSFOQZERQXVGC-KYJSFNMBSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001303801673 1051449996 /nfs/dbraw/zinc/44/99/96/1051449996.db2.gz PPSFOQZERQXVGC-KYJSFNMBSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC001303801673 1051450007 /nfs/dbraw/zinc/45/00/07/1051450007.db2.gz PPSFOQZERQXVGC-KYJSFNMBSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC001303801673 1051450012 /nfs/dbraw/zinc/45/00/12/1051450012.db2.gz PPSFOQZERQXVGC-KYJSFNMBSA-N 1 3 369.431 2.650 20 0 FFADHO CCCN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC001342914648 1051525120 /nfs/dbraw/zinc/52/51/20/1051525120.db2.gz LFUADFXDQDJRDB-IRLDBZIGSA-N 1 3 355.526 2.889 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001341226502 1051587194 /nfs/dbraw/zinc/58/71/94/1051587194.db2.gz RMQQEBCFKPFPCU-ZIFCJYIRSA-N 1 3 372.561 2.560 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001341226502 1051587199 /nfs/dbraw/zinc/58/71/99/1051587199.db2.gz RMQQEBCFKPFPCU-ZIFCJYIRSA-N 1 3 372.561 2.560 20 0 FFADHO C[C@@H]1[C@H](OC(=O)COC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC001344854870 1052068454 /nfs/dbraw/zinc/06/84/54/1052068454.db2.gz GDLRHUKXEFWZQU-YLJYHZDGSA-N 1 3 360.498 2.694 20 0 FFADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ccccc1N1CCCCC1 ZINC001308235478 1052435128 /nfs/dbraw/zinc/43/51/28/1052435128.db2.gz AOCNMQPRBLSDLF-NRFANRHFSA-N 1 3 372.557 2.709 20 0 FFADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1ccccc1N1CCCCC1 ZINC001308235478 1052435129 /nfs/dbraw/zinc/43/51/29/1052435129.db2.gz AOCNMQPRBLSDLF-NRFANRHFSA-N 1 3 372.557 2.709 20 0 FFADHO COCC[C@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC001308478256 1052459168 /nfs/dbraw/zinc/45/91/68/1052459168.db2.gz FYLIOYIWPASCJB-ZWKOTPCHSA-N 1 3 369.550 2.628 20 0 FFADHO COCC[C@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC001308478256 1052459172 /nfs/dbraw/zinc/45/91/72/1052459172.db2.gz FYLIOYIWPASCJB-ZWKOTPCHSA-N 1 3 369.550 2.628 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc3n(n2)CCC[C@H]3N)CC1 ZINC001343892266 1052473907 /nfs/dbraw/zinc/47/39/07/1052473907.db2.gz NBJZBPOZFPDIRP-FUHWJXTLSA-N 1 3 373.545 2.793 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3n(n2)CCC[C@H]3N)CC1 ZINC001343892266 1052473909 /nfs/dbraw/zinc/47/39/09/1052473909.db2.gz NBJZBPOZFPDIRP-FUHWJXTLSA-N 1 3 373.545 2.793 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(C2CC2)cs1 ZINC001345843139 1052638418 /nfs/dbraw/zinc/63/84/18/1052638418.db2.gz APJYCLFLFFKDFK-OAHLLOKOSA-N 1 3 350.532 2.509 20 0 FFADHO COc1cc(NC(=O)CCNCC[C@@H](C)[NH+](C)C)c(OC)cc1Cl ZINC001335421318 1053351917 /nfs/dbraw/zinc/35/19/17/1053351917.db2.gz KRRKYSGOOIZIKN-GFCCVEGCSA-N 1 3 357.882 2.616 20 0 FFADHO COc1cc(NC(=O)CC[NH2+]CC[C@@H](C)N(C)C)c(OC)cc1Cl ZINC001335421318 1053351931 /nfs/dbraw/zinc/35/19/31/1053351931.db2.gz KRRKYSGOOIZIKN-GFCCVEGCSA-N 1 3 357.882 2.616 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)C2 ZINC001335447688 1053368014 /nfs/dbraw/zinc/36/80/14/1053368014.db2.gz IKURHAGUNJHLDK-FRYIKTPZSA-N 1 3 356.514 2.735 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC2CC3(CC([NH3+])C3)C2)N2CCCC2)cc1 ZINC001335686502 1053504337 /nfs/dbraw/zinc/50/43/37/1053504337.db2.gz DDAKPQGBRNTNHO-MBEFBZSESA-N 1 3 356.514 2.701 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C[C@H](C)O1 ZINC001336739742 1054183161 /nfs/dbraw/zinc/18/31/61/1054183161.db2.gz QORUGCZZFNDEHD-QWQRMKEZSA-N 1 3 358.885 2.992 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001337026649 1054420798 /nfs/dbraw/zinc/42/07/98/1054420798.db2.gz UBHJCVSPNMGYRB-OAQYLSRUSA-N 1 3 356.558 2.889 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001337026649 1054420804 /nfs/dbraw/zinc/42/08/04/1054420804.db2.gz UBHJCVSPNMGYRB-OAQYLSRUSA-N 1 3 356.558 2.889 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001543653721 1071516580 /nfs/dbraw/zinc/51/65/80/1071516580.db2.gz VEFGQCLTIUCJPL-PMXSJFBMSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001543653721 1071516596 /nfs/dbraw/zinc/51/65/96/1071516596.db2.gz VEFGQCLTIUCJPL-PMXSJFBMSA-N 1 3 355.526 2.888 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1 ZINC001352172151 1055243063 /nfs/dbraw/zinc/24/30/63/1055243063.db2.gz VOWBGYRQFRIBAI-PXCRPINLSA-N 1 3 373.541 2.923 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](c4ccccc4F)CC3=O)C[C@@H]2C1 ZINC001356057995 1055251773 /nfs/dbraw/zinc/25/17/73/1055251773.db2.gz WBKJEKRTCWWNGK-VSZNYVQBSA-N 1 3 359.489 2.761 20 0 FFADHO CN(CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000849056868 1055607204 /nfs/dbraw/zinc/60/72/04/1055607204.db2.gz ADJKUEXQEHIDCE-UHFFFAOYSA-N 1 3 365.525 2.901 20 0 FFADHO [NH2+]=C(NCCCOCC(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849059127 1055613580 /nfs/dbraw/zinc/61/35/80/1055613580.db2.gz DHDZOQCZKPCBOI-UHFFFAOYSA-N 1 3 372.435 2.734 20 0 FFADHO [NH2+]=C(NCc1ccc2c(c1)CCO2)NC1CCN(Cc2ccccc2)CC1 ZINC000849071665 1055628646 /nfs/dbraw/zinc/62/86/46/1055628646.db2.gz RSTUEZYUVPBYAT-UHFFFAOYSA-N 1 3 364.493 2.900 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001351308470 1056186667 /nfs/dbraw/zinc/18/66/67/1056186667.db2.gz QWAYZUJMUNNEKJ-RBUKOAKNSA-N 1 3 374.577 2.665 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001502250328 1058792521 /nfs/dbraw/zinc/79/25/21/1058792521.db2.gz WPMIGGPYKPZDKG-OAGGEKHMSA-N 1 3 374.533 2.716 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cccc(F)c1Cl ZINC001503208361 1058993140 /nfs/dbraw/zinc/99/31/40/1058993140.db2.gz VIZSLRANCOSMDT-GZBFAFLISA-N 1 3 355.885 2.804 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cccc(F)c1Cl ZINC001503208361 1058993156 /nfs/dbraw/zinc/99/31/56/1058993156.db2.gz VIZSLRANCOSMDT-GZBFAFLISA-N 1 3 355.885 2.804 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc(Cl)n1 ZINC001514681108 1059052641 /nfs/dbraw/zinc/05/26/41/1059052641.db2.gz NIJJJLKYLROZPW-RKTXRCNFSA-N 1 3 364.921 2.622 20 0 FFADHO CCN1[C@H](C)CN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001452580441 1059251854 /nfs/dbraw/zinc/25/18/54/1059251854.db2.gz BXBZBLOGGSAAAP-BLDHRRKUSA-N 1 3 359.514 2.581 20 0 FFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001452678154 1059273058 /nfs/dbraw/zinc/27/30/58/1059273058.db2.gz JCEKJWPWAQELOI-OAQYLSRUSA-N 1 3 357.542 2.885 20 0 FFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001452678154 1059273070 /nfs/dbraw/zinc/27/30/70/1059273070.db2.gz JCEKJWPWAQELOI-OAQYLSRUSA-N 1 3 357.542 2.885 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H](NCc2cc(C)on2)C(C)C)CC[N@@H+]1C ZINC001506177458 1059450622 /nfs/dbraw/zinc/45/06/22/1059450622.db2.gz AMPDEMBQNTZQDS-GBESFXJTSA-N 1 3 364.534 2.676 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H](NCc2cc(C)on2)C(C)C)CC[N@H+]1C ZINC001506177458 1059450626 /nfs/dbraw/zinc/45/06/26/1059450626.db2.gz AMPDEMBQNTZQDS-GBESFXJTSA-N 1 3 364.534 2.676 20 0 FFADHO CCC[N@@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)C1 ZINC001547172689 1071928105 /nfs/dbraw/zinc/92/81/05/1071928105.db2.gz AIDFJCGEBMCOBI-KURKYZTESA-N 1 3 374.577 2.806 20 0 FFADHO CCC[N@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)C1 ZINC001547172689 1071928110 /nfs/dbraw/zinc/92/81/10/1071928110.db2.gz AIDFJCGEBMCOBI-KURKYZTESA-N 1 3 374.577 2.806 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc2c1OCCNC2 ZINC001521413774 1060581966 /nfs/dbraw/zinc/58/19/66/1060581966.db2.gz BOPMVCRXJBKHSC-FQEVSTJZSA-N 1 3 365.477 2.736 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CN3CCOCC3)cc2)CCN1c1cc[nH+]cc1 ZINC001460712627 1061073137 /nfs/dbraw/zinc/07/31/37/1061073137.db2.gz WGNGBXMGXJIFJX-LJQANCHMSA-N 1 3 366.509 2.625 20 0 FFADHO NC(=O)c1csc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC001461062944 1061200109 /nfs/dbraw/zinc/20/01/09/1061200109.db2.gz BOUDIJOYVKGWOH-UHFFFAOYSA-N 1 3 372.538 2.539 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C2)cc1 ZINC001477317158 1061666739 /nfs/dbraw/zinc/66/67/39/1061666739.db2.gz PXLLQIYRYRFPCR-FQEVSTJZSA-N 1 3 360.546 2.987 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)Cc1ccccc1 ZINC001477466897 1061710648 /nfs/dbraw/zinc/71/06/48/1061710648.db2.gz OFGYOHKINDNMEX-FQEVSTJZSA-N 1 3 372.557 2.677 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001479156272 1062255559 /nfs/dbraw/zinc/25/55/59/1062255559.db2.gz DZBRNTHCSFMYDU-LEWJYISDSA-N 1 3 372.557 2.943 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C2)cc1 ZINC001479158554 1062258373 /nfs/dbraw/zinc/25/83/73/1062258373.db2.gz YPEAMORGEBSGIG-LJQANCHMSA-N 1 3 360.546 2.989 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001479476608 1062452460 /nfs/dbraw/zinc/45/24/60/1062452460.db2.gz MFKXSPHYVZRPRL-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001479476608 1062452473 /nfs/dbraw/zinc/45/24/73/1062452473.db2.gz MFKXSPHYVZRPRL-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001479555232 1062527267 /nfs/dbraw/zinc/52/72/67/1062527267.db2.gz PUEUVLVUNRJJAW-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001479555232 1062527288 /nfs/dbraw/zinc/52/72/88/1062527288.db2.gz PUEUVLVUNRJJAW-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNCC=C(Cl)Cl)C1 ZINC001479581032 1062580499 /nfs/dbraw/zinc/58/04/99/1062580499.db2.gz NOVHNJWZBMMKTJ-KFWWJZLASA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](CNCC=C(Cl)Cl)C1 ZINC001479581032 1062580516 /nfs/dbraw/zinc/58/05/16/1062580516.db2.gz NOVHNJWZBMMKTJ-KFWWJZLASA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC001496706131 1063635538 /nfs/dbraw/zinc/63/55/38/1063635538.db2.gz DJZDOBCWRWTMIJ-XFQXTVEOSA-N 1 3 361.505 2.934 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC001496706131 1063635548 /nfs/dbraw/zinc/63/55/48/1063635548.db2.gz DJZDOBCWRWTMIJ-XFQXTVEOSA-N 1 3 361.505 2.934 20 0 FFADHO CCN(CCNCc1ccc(Cl)c(F)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497382825 1063699888 /nfs/dbraw/zinc/69/98/88/1063699888.db2.gz DMKVIWFHPUGGTK-UKRRQHHQSA-N 1 3 355.885 2.757 20 0 FFADHO CCN(CCNCc1ccc(Cl)c(F)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497382825 1063699896 /nfs/dbraw/zinc/69/98/96/1063699896.db2.gz DMKVIWFHPUGGTK-UKRRQHHQSA-N 1 3 355.885 2.757 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC001575071385 1078102570 /nfs/dbraw/zinc/10/25/70/1078102570.db2.gz KRMNKXSFPUSFCX-YYWHXJBOSA-N 1 3 357.542 2.963 20 0 FFADHO C[NH+](C)CCOc1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC001474111618 1065459144 /nfs/dbraw/zinc/45/91/44/1065459144.db2.gz CVVGZIMGDYIYGT-SFHVURJKSA-N 1 3 353.466 2.522 20 0 FFADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(CNC(=O)OC(C)(C)C)CC3)[C@@H]2C1 ZINC001474303352 1065489868 /nfs/dbraw/zinc/48/98/68/1065489868.db2.gz YBHOSTRBHIJTHM-PCNFGOCFSA-N 1 3 351.535 3.000 20 0 FFADHO CC(C)CCN1CCC([NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001474660190 1065571784 /nfs/dbraw/zinc/57/17/84/1065571784.db2.gz FCUYAUOFIAQIDL-SFHVURJKSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001474670648 1065574813 /nfs/dbraw/zinc/57/48/13/1065574813.db2.gz JHIDGNFNIPXHMZ-NRFANRHFSA-N 1 3 359.558 2.866 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC001576771755 1078273777 /nfs/dbraw/zinc/27/37/77/1078273777.db2.gz HCONASHOKXLHBZ-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC001576771755 1078273778 /nfs/dbraw/zinc/27/37/78/1078273778.db2.gz HCONASHOKXLHBZ-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H]1CC2(CC2)C[NH2+]1 ZINC001577019108 1078294882 /nfs/dbraw/zinc/29/48/82/1078294882.db2.gz SQNAQAQQASHPMH-XSLAGTTESA-N 1 3 374.577 2.853 20 0 FFADHO CCC[C@@H]1CNCCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001577383821 1078346549 /nfs/dbraw/zinc/34/65/49/1078346549.db2.gz QNAQZJWRDUGSFB-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001577657279 1078385370 /nfs/dbraw/zinc/38/53/70/1078385370.db2.gz DQWUXBCJSKZCEG-SJLPKXTDSA-N 1 3 374.508 2.643 20 0 FFADHO CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2(C)CCCC2)C[C@H]1C ZINC001577758996 1078397234 /nfs/dbraw/zinc/39/72/34/1078397234.db2.gz DEXLMFWPHFLPCO-XDNAFOTISA-N 1 3 374.577 2.982 20 0 FFADHO CN(Cc1nc2c(s1)C[NH2+]CC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001578502348 1078484445 /nfs/dbraw/zinc/48/44/45/1078484445.db2.gz PSZUCUNGODYEHZ-KRWDZBQOSA-N 1 3 356.539 2.885 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc(Cl)n1 ZINC001579571838 1078644181 /nfs/dbraw/zinc/64/41/81/1078644181.db2.gz YGXLOYJKVCNATA-HZPDHXFCSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc(Cl)n1 ZINC001579571838 1078644184 /nfs/dbraw/zinc/64/41/84/1078644184.db2.gz YGXLOYJKVCNATA-HZPDHXFCSA-N 1 3 350.894 2.566 20 0 FFADHO [NH3+][C@H](CC1CCCCC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001580124666 1078753002 /nfs/dbraw/zinc/75/30/02/1078753002.db2.gz VCOOCJGVXZXSCC-QGZVFWFLSA-N 1 3 353.576 2.762 20 0 FFADHO O=C1C[C@@H](NCc2cccc3c2CC[NH2+]C3)CN1c1c(F)cccc1F ZINC001580837401 1078875197 /nfs/dbraw/zinc/87/51/97/1078875197.db2.gz FZKNXZAKRFUCGC-OAHLLOKOSA-N 1 3 357.404 2.506 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccccc3F)C[N@@H+]2C1 ZINC001583558533 1079233081 /nfs/dbraw/zinc/23/30/81/1079233081.db2.gz KSIGEJCXYULINM-NEWSRXKRSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccccc3F)C[N@H+]2C1 ZINC001583558533 1079233090 /nfs/dbraw/zinc/23/30/90/1079233090.db2.gz KSIGEJCXYULINM-NEWSRXKRSA-N 1 3 361.505 2.836 20 0 FFADHO COc1ncc([C@H](C)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cc1Cl ZINC001550354630 1074225495 /nfs/dbraw/zinc/22/54/95/1074225495.db2.gz VICUMEAXBGRDDQ-IIDKFBGSSA-N 1 3 367.921 2.874 20 0 FFADHO COc1ncc([C@H](C)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)cc1Cl ZINC001550354630 1074225499 /nfs/dbraw/zinc/22/54/99/1074225499.db2.gz VICUMEAXBGRDDQ-IIDKFBGSSA-N 1 3 367.921 2.874 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(C(F)F)nc3)C2)[C@@H]1C(C)C ZINC001550422651 1074261471 /nfs/dbraw/zinc/26/14/71/1074261471.db2.gz BDDIOWILLIODJG-DWRORGKVSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(C(F)F)nc3)C2)[C@@H]1C(C)C ZINC001550422651 1074261474 /nfs/dbraw/zinc/26/14/74/1074261474.db2.gz BDDIOWILLIODJG-DWRORGKVSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(Cl)c(F)c3)C2)[C@@H]1C(C)C ZINC001550423402 1074262392 /nfs/dbraw/zinc/26/23/92/1074262392.db2.gz MMSQHZAWEBSERY-OVWQWFNUSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(Cl)c(F)c3)C2)[C@@H]1C(C)C ZINC001550423402 1074262408 /nfs/dbraw/zinc/26/24/08/1074262408.db2.gz MMSQHZAWEBSERY-OVWQWFNUSA-N 1 3 355.885 2.834 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC001550423978 1074263981 /nfs/dbraw/zinc/26/39/81/1074263981.db2.gz VSBNSVFRWCAGGZ-XWUOBKMESA-N 1 3 366.509 2.713 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC001550423978 1074263983 /nfs/dbraw/zinc/26/39/83/1074263983.db2.gz VSBNSVFRWCAGGZ-XWUOBKMESA-N 1 3 366.509 2.713 20 0 FFADHO CC[C@@H]1NCCC[C@H]1[NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001550473822 1074291139 /nfs/dbraw/zinc/29/11/39/1074291139.db2.gz ONDJMFQLFOVSGA-LEWJYISDSA-N 1 3 358.530 2.730 20 0 FFADHO C[NH+](C)Cc1cccc(NC(=O)NC2CCC(C)(N3CCOCC3)CC2)c1 ZINC001551383888 1074707463 /nfs/dbraw/zinc/70/74/63/1074707463.db2.gz GDHQYCXODRKBSF-UHFFFAOYSA-N 1 3 374.529 2.903 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CCN1Cc1ccccc1 ZINC001551550492 1074754425 /nfs/dbraw/zinc/75/44/25/1074754425.db2.gz NCDWPHUZVIXMEW-QIYGCADZSA-N 1 3 370.541 2.952 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC001551574182 1074759709 /nfs/dbraw/zinc/75/97/09/1074759709.db2.gz YVDZLSYXCOUYPG-QIYGCADZSA-N 1 3 370.541 2.810 20 0 FFADHO C[NH+](C)CC1(C(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC001559044030 1076120057 /nfs/dbraw/zinc/12/00/57/1076120057.db2.gz XFBXVNVLINTOCL-UHFFFAOYSA-N 1 3 351.494 2.824 20 0 FFADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc(OC)c1 ZINC001560436343 1076273243 /nfs/dbraw/zinc/27/32/43/1076273243.db2.gz BVCDHURVQLJOEW-IBGZPJMESA-N 1 3 356.466 2.560 20 0 FFADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc(OC)c1 ZINC001560436343 1076273246 /nfs/dbraw/zinc/27/32/46/1076273246.db2.gz BVCDHURVQLJOEW-IBGZPJMESA-N 1 3 356.466 2.560 20 0 FFADHO CN1CCC[C@H](NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001563719574 1076578212 /nfs/dbraw/zinc/57/82/12/1076578212.db2.gz NDJZGIMDJAAMGA-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001564520337 1076640394 /nfs/dbraw/zinc/64/03/94/1076640394.db2.gz GKZFTPBCYVNIQV-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1csc(CNCCC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)n1 ZINC001565986794 1076831481 /nfs/dbraw/zinc/83/14/81/1076831481.db2.gz OFFUCAXSAYVNIT-NVXWUHKLSA-N 1 3 366.575 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCNCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC001567497406 1077031774 /nfs/dbraw/zinc/03/17/74/1077031774.db2.gz XEOWQESMKBQQGN-TZMCWYRMSA-N 1 3 358.313 2.882 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCNCc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC001567497406 1077031775 /nfs/dbraw/zinc/03/17/75/1077031775.db2.gz XEOWQESMKBQQGN-TZMCWYRMSA-N 1 3 358.313 2.882 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2cccc(OC)c2C)CC[N@@H+]1C ZINC001568483105 1077095917 /nfs/dbraw/zinc/09/59/17/1077095917.db2.gz IIVRCODHCCGSDF-RBUKOAKNSA-N 1 3 361.530 2.624 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2cccc(OC)c2C)CC[N@H+]1C ZINC001568483105 1077095920 /nfs/dbraw/zinc/09/59/20/1077095920.db2.gz IIVRCODHCCGSDF-RBUKOAKNSA-N 1 3 361.530 2.624 20 0 FFADHO C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001589957815 1080902913 /nfs/dbraw/zinc/90/29/13/1080902913.db2.gz UEQSBELTRIOTHI-OOHWJJMZSA-N 1 3 355.490 2.709 20 0 FFADHO C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001589957815 1080902917 /nfs/dbraw/zinc/90/29/17/1080902917.db2.gz UEQSBELTRIOTHI-OOHWJJMZSA-N 1 3 355.490 2.709 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCCC3(C)C)CC2)CC1 ZINC000131655983 251006924 /nfs/dbraw/zinc/00/69/24/251006924.db2.gz HTPSGBZLCFQASK-SFHVURJKSA-N 1 3 350.551 2.813 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153521343 251148805 /nfs/dbraw/zinc/14/88/05/251148805.db2.gz IQSWDOVPMKOZSY-NHCUHLMSSA-N 1 3 371.525 2.583 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000153521343 251148813 /nfs/dbraw/zinc/14/88/13/251148813.db2.gz IQSWDOVPMKOZSY-NHCUHLMSSA-N 1 3 371.525 2.583 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268804245 251389121 /nfs/dbraw/zinc/38/91/21/251389121.db2.gz IOSTUPWXTTYODS-IFMALSPDSA-N 1 3 358.574 2.657 20 0 FFADHO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1N1CCN(C)CC1 ZINC000375016295 512122331 /nfs/dbraw/zinc/12/23/31/512122331.db2.gz DVYJLRHXMQEUGD-WMZOPIPTSA-N 1 3 373.570 2.606 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1N1CCN(C)CC1 ZINC000375016295 512122332 /nfs/dbraw/zinc/12/23/32/512122332.db2.gz DVYJLRHXMQEUGD-WMZOPIPTSA-N 1 3 373.570 2.606 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000272412374 252030854 /nfs/dbraw/zinc/03/08/54/252030854.db2.gz FSEKMGLDFFSHPZ-NQIIRXRSSA-N 1 3 370.541 2.695 20 0 FFADHO CCN1CCCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272466324 252045772 /nfs/dbraw/zinc/04/57/72/252045772.db2.gz HVTYDVUAOUJLJH-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272466324 252045776 /nfs/dbraw/zinc/04/57/76/252045776.db2.gz HVTYDVUAOUJLJH-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272501830 252054852 /nfs/dbraw/zinc/05/48/52/252054852.db2.gz VTQHTZHAOPIZMF-WOJBJXKFSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272688958 252102208 /nfs/dbraw/zinc/10/22/08/252102208.db2.gz CABXEJHOWLRHBO-UYAOXDASSA-N 1 3 370.541 2.501 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272688958 252102214 /nfs/dbraw/zinc/10/22/14/252102214.db2.gz CABXEJHOWLRHBO-UYAOXDASSA-N 1 3 370.541 2.501 20 0 FFADHO C[C@@H](NCc1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1)c1cnn(C)c1 ZINC000273245718 252262191 /nfs/dbraw/zinc/26/21/91/252262191.db2.gz BGMHPMLGUJKYQI-HZPDHXFCSA-N 1 3 352.486 2.855 20 0 FFADHO CC1(C)CN(Cc2ccc(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)cc2)CC[C@H]1O ZINC000275511711 256018831 /nfs/dbraw/zinc/01/88/31/256018831.db2.gz SRSRPGGQJSNSIB-WOJBJXKFSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)CN(Cc2ccc(C[N@H+]3CC[C@@H](O)C(C)(C)C3)cc2)CC[C@H]1O ZINC000275511711 256018833 /nfs/dbraw/zinc/01/88/33/256018833.db2.gz SRSRPGGQJSNSIB-WOJBJXKFSA-N 1 3 360.542 2.872 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000277537389 256208770 /nfs/dbraw/zinc/20/87/70/256208770.db2.gz WBXYCPJJVLLDKZ-UHFFFAOYSA-N 1 3 358.490 2.771 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278465242 256315555 /nfs/dbraw/zinc/31/55/55/256315555.db2.gz JKBOGFYDSBTIFB-SJBKTWHCSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000278486348 256317772 /nfs/dbraw/zinc/31/77/72/256317772.db2.gz KUKFCFALDMZZQY-OALUTQOASA-N 1 3 361.530 2.675 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000278486348 256317773 /nfs/dbraw/zinc/31/77/73/256317773.db2.gz KUKFCFALDMZZQY-OALUTQOASA-N 1 3 361.530 2.675 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278983689 256369090 /nfs/dbraw/zinc/36/90/90/256369090.db2.gz IPRNZMQBODXEQY-OAQYLSRUSA-N 1 3 370.541 2.769 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278983686 256369288 /nfs/dbraw/zinc/36/92/88/256369288.db2.gz IPRNZMQBODXEQY-NRFANRHFSA-N 1 3 370.541 2.769 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCC1CC[NH2+]CC1 ZINC000285994229 257015022 /nfs/dbraw/zinc/01/50/22/257015022.db2.gz IGYUAGPHZSOCKC-UHFFFAOYSA-N 1 3 353.457 2.635 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000286320954 257031186 /nfs/dbraw/zinc/03/11/86/257031186.db2.gz ADQGPCFKKIZROS-UHFFFAOYSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCCN1CCN(c2ccccc2)CC1 ZINC000286722149 257051494 /nfs/dbraw/zinc/05/14/94/257051494.db2.gz CLUBMWSLWCDBJV-RBBKRZOGSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000286722149 257051495 /nfs/dbraw/zinc/05/14/95/257051495.db2.gz CLUBMWSLWCDBJV-RBBKRZOGSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000286722149 257051496 /nfs/dbraw/zinc/05/14/96/257051496.db2.gz CLUBMWSLWCDBJV-RBBKRZOGSA-N 1 3 356.558 2.757 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000287910681 257128954 /nfs/dbraw/zinc/12/89/54/257128954.db2.gz HWEFEONZBDMOSV-HXUWFJFHSA-N 1 3 374.529 2.638 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000287910681 257128956 /nfs/dbraw/zinc/12/89/56/257128956.db2.gz HWEFEONZBDMOSV-HXUWFJFHSA-N 1 3 374.529 2.638 20 0 FFADHO OC1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000287476870 257091519 /nfs/dbraw/zinc/09/15/19/257091519.db2.gz MPWVBGMKAZTKDM-PCCBWWKXSA-N 1 3 358.526 2.808 20 0 FFADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287609898 257098354 /nfs/dbraw/zinc/09/83/54/257098354.db2.gz PCCOKCHDNXDPPI-MQEZQYLSSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287609898 257098355 /nfs/dbraw/zinc/09/83/55/257098355.db2.gz PCCOKCHDNXDPPI-MQEZQYLSSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@@H](c1ccccc1)N(C)C ZINC000287719301 257105076 /nfs/dbraw/zinc/10/50/76/257105076.db2.gz BCKZLEOFWFUMGZ-FFGOWVMKSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@@H](c1ccccc1)N(C)C ZINC000287719301 257105077 /nfs/dbraw/zinc/10/50/77/257105077.db2.gz BCKZLEOFWFUMGZ-FFGOWVMKSA-N 1 3 358.530 2.804 20 0 FFADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288400201 257184449 /nfs/dbraw/zinc/18/44/49/257184449.db2.gz MTPQMMOQOOLYDS-IFMALSPDSA-N 1 3 353.510 2.738 20 0 FFADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288400201 257184451 /nfs/dbraw/zinc/18/44/51/257184451.db2.gz MTPQMMOQOOLYDS-IFMALSPDSA-N 1 3 353.510 2.738 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289583811 257288625 /nfs/dbraw/zinc/28/86/25/257288625.db2.gz FAEIEIRSEZEHEV-LPHOPBHVSA-N 1 3 353.938 2.891 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289583805 257288634 /nfs/dbraw/zinc/28/86/34/257288634.db2.gz FAEIEIRSEZEHEV-APWZRJJASA-N 1 3 353.938 2.891 20 0 FFADHO CN1CC=C(CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000291038836 257376549 /nfs/dbraw/zinc/37/65/49/257376549.db2.gz GYKCZRNPSWEJHI-NRFANRHFSA-N 1 3 370.541 2.850 20 0 FFADHO CN1CC=C(CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000291038836 257376550 /nfs/dbraw/zinc/37/65/50/257376550.db2.gz GYKCZRNPSWEJHI-NRFANRHFSA-N 1 3 370.541 2.850 20 0 FFADHO C[C@@H](NCc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)ccc1F)[C@H]1CCOC1 ZINC000295786038 257647018 /nfs/dbraw/zinc/64/70/18/257647018.db2.gz RCAQHDGUOVJIKA-MVJTYMMSSA-N 1 3 350.478 2.855 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[C@@H]1[NH3+] ZINC000332534454 258234122 /nfs/dbraw/zinc/23/41/22/258234122.db2.gz SKIMFWLPTIOBDV-NZSAHSFTSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[C@H]1[NH3+] ZINC000332534452 258234273 /nfs/dbraw/zinc/23/42/73/258234273.db2.gz SKIMFWLPTIOBDV-BHIYHBOVSA-N 1 3 358.530 2.666 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)Cc1ccccc1 ZINC000097357628 222176481 /nfs/dbraw/zinc/17/64/81/222176481.db2.gz MKBBYBBYTJYNTR-IBGZPJMESA-N 1 3 360.546 2.723 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccc(OC)cc2)[C@@H](C)C2CC2)CC1 ZINC000053098213 506311725 /nfs/dbraw/zinc/31/17/25/506311725.db2.gz ZBGLCELKOZSANC-KRWDZBQOSA-N 1 3 373.541 2.896 20 0 FFADHO C[C@@H](NC(=O)N1CCCC12CC[NH+](C)CC2)[C@H](c1ccccc1)N(C)C ZINC000377259717 512189939 /nfs/dbraw/zinc/18/99/39/512189939.db2.gz MSYHJHSJRMMVCT-IEBWSBKVSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377282489 512199444 /nfs/dbraw/zinc/19/94/44/512199444.db2.gz GGZQXKMVEZACRW-QRQLOZEOSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000377282489 512199447 /nfs/dbraw/zinc/19/94/47/512199447.db2.gz GGZQXKMVEZACRW-QRQLOZEOSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366881533 512232196 /nfs/dbraw/zinc/23/21/96/512232196.db2.gz JPQIYNXDCGOHNJ-MRXNPFEDSA-N 1 3 358.486 2.531 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377430656 512265807 /nfs/dbraw/zinc/26/58/07/512265807.db2.gz ULRGPFMPCIMSGX-AABGKKOBSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377430656 512265808 /nfs/dbraw/zinc/26/58/08/512265808.db2.gz ULRGPFMPCIMSGX-AABGKKOBSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000054718395 506607850 /nfs/dbraw/zinc/60/78/50/506607850.db2.gz GFTDUCXTVQKPII-MJGOQNOKSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000043037978 506688570 /nfs/dbraw/zinc/68/85/70/506688570.db2.gz WQHJYZFMTCOQAF-FQEVSTJZSA-N 1 3 360.546 2.771 20 0 FFADHO O=C(NCCN1CCCCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067005496 506723670 /nfs/dbraw/zinc/72/36/70/506723670.db2.gz GLRXOAFKAZTROI-HXUWFJFHSA-N 1 3 358.530 2.684 20 0 FFADHO O=C(NCCN1CCCCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067005496 506723674 /nfs/dbraw/zinc/72/36/74/506723674.db2.gz GLRXOAFKAZTROI-HXUWFJFHSA-N 1 3 358.530 2.684 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](CC)CC3)c(C)c2)CC1 ZINC000043522885 506754401 /nfs/dbraw/zinc/75/44/01/506754401.db2.gz LIKLUAUUNAMDIB-UHFFFAOYSA-N 1 3 373.545 2.743 20 0 FFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000367022828 512300558 /nfs/dbraw/zinc/30/05/58/512300558.db2.gz JNLORCJOXUPPBA-AZUAARDMSA-N 1 3 350.595 2.645 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000068566322 507272367 /nfs/dbraw/zinc/27/23/67/507272367.db2.gz ZMBTVNCVIXURBA-UHFFFAOYSA-N 1 3 368.472 2.522 20 0 FFADHO CCOc1ccccc1CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050801520 507713699 /nfs/dbraw/zinc/71/36/99/507713699.db2.gz IXKDSSJMROLNGJ-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000050802463 507715441 /nfs/dbraw/zinc/71/54/41/507715441.db2.gz CSNSUIFINLURDT-UHFFFAOYSA-N 1 3 367.440 2.576 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000071919674 507725468 /nfs/dbraw/zinc/72/54/68/507725468.db2.gz XLLYNAPKZQHNGY-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000071919674 507725470 /nfs/dbraw/zinc/72/54/70/507725470.db2.gz XLLYNAPKZQHNGY-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO O=C(CN1CCC[C@H]1CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000064508800 507800304 /nfs/dbraw/zinc/80/03/04/507800304.db2.gz SMXYIOMSYWIRLL-FQEVSTJZSA-N 1 3 355.526 2.827 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000107329536 507843975 /nfs/dbraw/zinc/84/39/75/507843975.db2.gz CJQRDMJYCTUBCK-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000072812497 507856891 /nfs/dbraw/zinc/85/68/91/507856891.db2.gz IBNQXAUNBUEIAO-UHFFFAOYSA-N 1 3 358.530 2.987 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000078511387 507878733 /nfs/dbraw/zinc/87/87/33/507878733.db2.gz JVHDXPUKSASIMF-KRWDZBQOSA-N 1 3 364.559 2.915 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108541482 507902695 /nfs/dbraw/zinc/90/26/95/507902695.db2.gz FGEOEINFRAWNOL-SJORKVTESA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108541482 507902697 /nfs/dbraw/zinc/90/26/97/507902697.db2.gz FGEOEINFRAWNOL-SJORKVTESA-N 1 3 362.543 2.669 20 0 FFADHO COc1cc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1F ZINC000090038608 507903501 /nfs/dbraw/zinc/90/35/01/507903501.db2.gz JVDOHKATNMFCMF-HNNXBMFYSA-N 1 3 373.472 2.977 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000073415510 507920003 /nfs/dbraw/zinc/92/00/03/507920003.db2.gz IYZMSRWHZKPDRT-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000073662242 507943358 /nfs/dbraw/zinc/94/33/58/507943358.db2.gz XUTFHQGHVVPCQF-IBGZPJMESA-N 1 3 372.557 2.808 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000073662242 507943359 /nfs/dbraw/zinc/94/33/59/507943359.db2.gz XUTFHQGHVVPCQF-IBGZPJMESA-N 1 3 372.557 2.808 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079224164 507946792 /nfs/dbraw/zinc/94/67/92/507946792.db2.gz VORNYJIYOPWQOE-NVXWUHKLSA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079224164 507946794 /nfs/dbraw/zinc/94/67/94/507946794.db2.gz VORNYJIYOPWQOE-NVXWUHKLSA-N 1 3 362.543 2.669 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCCC[NH+]2CCCCC2)o1 ZINC000079577483 507978205 /nfs/dbraw/zinc/97/82/05/507978205.db2.gz ZPMYAEJDBFZLAG-UHFFFAOYSA-N 1 3 350.507 2.537 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091333601 507981276 /nfs/dbraw/zinc/98/12/76/507981276.db2.gz AUEWUEVMAZMNQG-HNNXBMFYSA-N 1 3 363.937 2.905 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091333601 507981279 /nfs/dbraw/zinc/98/12/79/507981279.db2.gz AUEWUEVMAZMNQG-HNNXBMFYSA-N 1 3 363.937 2.905 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)o1 ZINC000079599394 507981288 /nfs/dbraw/zinc/98/12/88/507981288.db2.gz SPQCIBJDLCPWFL-IRXDYDNUSA-N 1 3 364.534 2.924 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)o1 ZINC000079599394 507981290 /nfs/dbraw/zinc/98/12/90/507981290.db2.gz SPQCIBJDLCPWFL-IRXDYDNUSA-N 1 3 364.534 2.924 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000074168669 507994438 /nfs/dbraw/zinc/99/44/38/507994438.db2.gz CDLZAYCSLHTMGP-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000074168669 507994440 /nfs/dbraw/zinc/99/44/40/507994440.db2.gz CDLZAYCSLHTMGP-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)C[NH+]1CCCC1 ZINC000079861747 508008538 /nfs/dbraw/zinc/00/85/38/508008538.db2.gz WCWUGVBNPOTIGD-IAGOWNOFSA-N 1 3 364.559 2.916 20 0 FFADHO CCCC[N@H+](C)CC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 ZINC000074319727 508011775 /nfs/dbraw/zinc/01/17/75/508011775.db2.gz PMEATYUHZJHTSN-UHFFFAOYSA-N 1 3 356.514 2.947 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 ZINC000074319727 508011778 /nfs/dbraw/zinc/01/17/78/508011778.db2.gz PMEATYUHZJHTSN-UHFFFAOYSA-N 1 3 356.514 2.947 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080063502 508032824 /nfs/dbraw/zinc/03/28/24/508032824.db2.gz CPEJLGJMRLPXCY-PXNSSMCTSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080063502 508032827 /nfs/dbraw/zinc/03/28/27/508032827.db2.gz CPEJLGJMRLPXCY-PXNSSMCTSA-N 1 3 370.541 2.966 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074791827 508055657 /nfs/dbraw/zinc/05/56/57/508055657.db2.gz MRJLYDIJJICNKE-JLYLLQBASA-N 1 3 374.529 2.901 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000074791827 508055659 /nfs/dbraw/zinc/05/56/59/508055659.db2.gz MRJLYDIJJICNKE-JLYLLQBASA-N 1 3 374.529 2.901 20 0 FFADHO CC[NH+](CC)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000111117589 508071943 /nfs/dbraw/zinc/07/19/43/508071943.db2.gz VYYJYPHSOQDUGM-GOSISDBHSA-N 1 3 371.447 2.899 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000080457603 508074889 /nfs/dbraw/zinc/07/48/89/508074889.db2.gz TYLYDOLQZSJEIH-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO CC(=O)N(C)C1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000092538562 508079813 /nfs/dbraw/zinc/07/98/13/508079813.db2.gz FAEXIRFOYYIRQR-UHFFFAOYSA-N 1 3 372.557 2.660 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000111452707 508100424 /nfs/dbraw/zinc/10/04/24/508100424.db2.gz DBNCLNLYFSAFKB-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)ccc1OC ZINC000076330970 508187584 /nfs/dbraw/zinc/18/75/84/508187584.db2.gz MVPVWUSIDVVPII-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)ccc1OC ZINC000076330970 508187585 /nfs/dbraw/zinc/18/75/85/508187585.db2.gz MVPVWUSIDVVPII-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCC[C@H](C)C1 ZINC000097428257 508224814 /nfs/dbraw/zinc/22/48/14/508224814.db2.gz JYZPVYOCBTUPEX-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCC[C@H](C)C1 ZINC000097428257 508224817 /nfs/dbraw/zinc/22/48/17/508224817.db2.gz JYZPVYOCBTUPEX-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO Cc1nc(C)c(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000076892023 508260271 /nfs/dbraw/zinc/26/02/71/508260271.db2.gz CPVJOIBGMXAWHI-UHFFFAOYSA-N 1 3 372.538 2.875 20 0 FFADHO CCOc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000077202288 508286679 /nfs/dbraw/zinc/28/66/79/508286679.db2.gz IEXZHTIIIQSDAV-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO CCOc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000077202288 508286681 /nfs/dbraw/zinc/28/66/81/508286681.db2.gz IEXZHTIIIQSDAV-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103305511 508306084 /nfs/dbraw/zinc/30/60/84/508306084.db2.gz MOLDQARROZRDSW-FPOVZHCZSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103305511 508306086 /nfs/dbraw/zinc/30/60/86/508306086.db2.gz MOLDQARROZRDSW-FPOVZHCZSA-N 1 3 372.557 2.725 20 0 FFADHO CC[C@@H](O)[C@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000114458718 508316699 /nfs/dbraw/zinc/31/66/99/508316699.db2.gz BXGBFEUCXSWNOU-NHCUHLMSSA-N 1 3 373.541 2.524 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)CC1CCN(C)CC1)[NH+]1CCCC1 ZINC000103601167 508319053 /nfs/dbraw/zinc/31/90/53/508319053.db2.gz OALMXHVOFOPSLZ-IBGZPJMESA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000077644843 508344834 /nfs/dbraw/zinc/34/48/34/508344834.db2.gz SAUILIDPYZIRIY-SFHVURJKSA-N 1 3 364.534 2.926 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000077644843 508344836 /nfs/dbraw/zinc/34/48/36/508344836.db2.gz SAUILIDPYZIRIY-SFHVURJKSA-N 1 3 364.534 2.926 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000114932476 508359873 /nfs/dbraw/zinc/35/98/73/508359873.db2.gz XXBQQYHCUPBUCL-LJQANCHMSA-N 1 3 358.530 2.553 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000114932476 508359876 /nfs/dbraw/zinc/35/98/76/508359876.db2.gz XXBQQYHCUPBUCL-LJQANCHMSA-N 1 3 358.530 2.553 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)N2CCCC2)c1 ZINC000105084683 508360227 /nfs/dbraw/zinc/36/02/27/508360227.db2.gz FIGHBVHMUYORAU-OXJNMPFZSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)N2CCCC2)c1 ZINC000105084683 508360229 /nfs/dbraw/zinc/36/02/29/508360229.db2.gz FIGHBVHMUYORAU-OXJNMPFZSA-N 1 3 374.529 2.614 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000105141279 508363362 /nfs/dbraw/zinc/36/33/62/508363362.db2.gz XNXIYROUAVYOAP-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C1CC1 ZINC000105269852 508367710 /nfs/dbraw/zinc/36/77/10/508367710.db2.gz IFWONPMFXYPLEN-ZWKOTPCHSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000077804602 508376767 /nfs/dbraw/zinc/37/67/67/508376767.db2.gz QESCBIWJXLCSNX-ROUUACIJSA-N 1 3 360.546 2.915 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000077804639 508377137 /nfs/dbraw/zinc/37/71/37/508377137.db2.gz ARXGOXWKWSZIKI-GOSISDBHSA-N 1 3 358.530 2.608 20 0 FFADHO CN(c1ccccc1C[NH2+]CCCc1cnn(C)c1)C1CCN(C)CC1 ZINC000133658879 508430860 /nfs/dbraw/zinc/43/08/60/508430860.db2.gz SAMLQHPVWNKRID-UHFFFAOYSA-N 1 3 355.530 2.673 20 0 FFADHO CC[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000115797242 508439239 /nfs/dbraw/zinc/43/92/39/508439239.db2.gz DTMLFHARAGLWMC-WIYYLYMNSA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000115797242 508439240 /nfs/dbraw/zinc/43/92/40/508439240.db2.gz DTMLFHARAGLWMC-WIYYLYMNSA-N 1 3 372.557 2.807 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000134013542 508481249 /nfs/dbraw/zinc/48/12/49/508481249.db2.gz PFHZKHANKHTIPW-UHFFFAOYSA-N 1 3 362.562 2.911 20 0 FFADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000122211015 508499823 /nfs/dbraw/zinc/49/98/23/508499823.db2.gz ZCEQLXFBEPKUHT-IBGZPJMESA-N 1 3 367.578 2.704 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000122211015 508499826 /nfs/dbraw/zinc/49/98/26/508499826.db2.gz ZCEQLXFBEPKUHT-IBGZPJMESA-N 1 3 367.578 2.704 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000127959040 508527771 /nfs/dbraw/zinc/52/77/71/508527771.db2.gz LIYXKSDLSIVQCU-FQEVSTJZSA-N 1 3 360.546 2.533 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134889905 508572578 /nfs/dbraw/zinc/57/25/78/508572578.db2.gz LOJHXFWWMMVDMD-UZLBHIALSA-N 1 3 367.493 2.621 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134889905 508572579 /nfs/dbraw/zinc/57/25/79/508572579.db2.gz LOJHXFWWMMVDMD-UZLBHIALSA-N 1 3 367.493 2.621 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000118820981 508678532 /nfs/dbraw/zinc/67/85/32/508678532.db2.gz HNCUKWTZUIEVIS-QGZVFWFLSA-N 1 3 362.518 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000153952361 508684657 /nfs/dbraw/zinc/68/46/57/508684657.db2.gz QCNZMPGJLQKKMH-DAYGRLMNSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000153952361 508684658 /nfs/dbraw/zinc/68/46/58/508684658.db2.gz QCNZMPGJLQKKMH-DAYGRLMNSA-N 1 3 369.431 2.650 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000158654753 508735137 /nfs/dbraw/zinc/73/51/37/508735137.db2.gz FEEWZTWUWBZJMK-IBGZPJMESA-N 1 3 355.530 2.589 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000158717535 508744280 /nfs/dbraw/zinc/74/42/80/508744280.db2.gz WBJLDIVWFOUGRZ-HXUWFJFHSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158886899 508764602 /nfs/dbraw/zinc/76/46/02/508764602.db2.gz APTHOYGFRNDZMU-WBVHZDCISA-N 1 3 359.514 2.660 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000123986464 508766927 /nfs/dbraw/zinc/76/69/27/508766927.db2.gz ASMOITRPIIURLM-TZIWHRDSSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000123986464 508766929 /nfs/dbraw/zinc/76/69/29/508766929.db2.gz ASMOITRPIIURLM-TZIWHRDSSA-N 1 3 372.557 2.530 20 0 FFADHO COCCN1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000138576746 508775323 /nfs/dbraw/zinc/77/53/23/508775323.db2.gz XCELMJGVRFWRGQ-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CN1C1CC1 ZINC000119449240 508798714 /nfs/dbraw/zinc/79/87/14/508798714.db2.gz SHXXEDHFIXVXFE-QFBILLFUSA-N 1 3 356.514 2.707 20 0 FFADHO CCOc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000119908819 508888015 /nfs/dbraw/zinc/88/80/15/508888015.db2.gz VMTKPBDCDCHHCG-UHFFFAOYSA-N 1 3 356.898 2.696 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000120115111 508931722 /nfs/dbraw/zinc/93/17/22/508931722.db2.gz HGODEYGUXNSABQ-DBVUQKKJSA-N 1 3 360.546 2.833 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000120115111 508931725 /nfs/dbraw/zinc/93/17/25/508931725.db2.gz HGODEYGUXNSABQ-DBVUQKKJSA-N 1 3 360.546 2.833 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc(OC)c2)CC1 ZINC000150996744 508937594 /nfs/dbraw/zinc/93/75/94/508937594.db2.gz YNQBDGZBQOYXIY-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000120181802 508944821 /nfs/dbraw/zinc/94/48/21/508944821.db2.gz ZHQVNTMFRAKFSI-APWZRJJASA-N 1 3 358.530 2.953 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000155247196 508957308 /nfs/dbraw/zinc/95/73/08/508957308.db2.gz ULAUPZJNESAQSB-FXAWDEMLSA-N 1 3 373.541 2.875 20 0 FFADHO CC(C)OCc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000131657546 508958247 /nfs/dbraw/zinc/95/82/47/508958247.db2.gz DXSDJZVOISJMDV-UHFFFAOYSA-N 1 3 350.507 2.569 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000155258169 508959814 /nfs/dbraw/zinc/95/98/14/508959814.db2.gz RCAYADOPONORCK-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CN(c1ccccc1C[NH2+]CCCO[C@H]1CCOC1)C1CCN(C)CC1 ZINC000151158529 508968828 /nfs/dbraw/zinc/96/88/28/508968828.db2.gz KZCCIFMSLYKWGC-FQEVSTJZSA-N 1 3 361.530 2.502 20 0 FFADHO C[C@H](c1ccccn1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120309512 508968953 /nfs/dbraw/zinc/96/89/53/508968953.db2.gz UNIKLKMXRSHMCV-GOSISDBHSA-N 1 3 358.530 2.847 20 0 FFADHO CN(c1ccccc1C[NH2+]CCCO[C@@H]1CCOC1)C1CCN(C)CC1 ZINC000151158460 508969201 /nfs/dbraw/zinc/96/92/01/508969201.db2.gz KZCCIFMSLYKWGC-HXUWFJFHSA-N 1 3 361.530 2.502 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000151623265 509054599 /nfs/dbraw/zinc/05/45/99/509054599.db2.gz LGXJCYNMKJCZDY-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000151623265 509054601 /nfs/dbraw/zinc/05/46/01/509054601.db2.gz LGXJCYNMKJCZDY-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000120878082 509081561 /nfs/dbraw/zinc/08/15/61/509081561.db2.gz GLBWBJWMOZVKKQ-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000120878082 509081565 /nfs/dbraw/zinc/08/15/65/509081565.db2.gz GLBWBJWMOZVKKQ-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000133438793 509160519 /nfs/dbraw/zinc/16/05/19/509160519.db2.gz VUKSDXFMYWXPBR-VQIMIIECSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000133438793 509160521 /nfs/dbraw/zinc/16/05/21/509160521.db2.gz VUKSDXFMYWXPBR-VQIMIIECSA-N 1 3 361.555 2.630 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CC1 ZINC000182346748 509188392 /nfs/dbraw/zinc/18/83/92/509188392.db2.gz LZHYAQKICKSSHF-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@H]21 ZINC000247962013 509201756 /nfs/dbraw/zinc/20/17/56/509201756.db2.gz GJIGWHFRTMCJAV-SVFBPWRDSA-N 1 3 373.516 2.980 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@H]21 ZINC000247962013 509201761 /nfs/dbraw/zinc/20/17/61/509201761.db2.gz GJIGWHFRTMCJAV-SVFBPWRDSA-N 1 3 373.516 2.980 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195643593 509214585 /nfs/dbraw/zinc/21/45/85/509214585.db2.gz NWJZASPONLZITO-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195643593 509214592 /nfs/dbraw/zinc/21/45/92/509214592.db2.gz NWJZASPONLZITO-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CC(c4ccccc4)C3)CC2)CC1 ZINC000264003273 509274993 /nfs/dbraw/zinc/27/49/93/509274993.db2.gz GOWXQTRUJSYIAH-UHFFFAOYSA-N 1 3 370.541 2.790 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc2)CC1 ZINC000173047305 509366514 /nfs/dbraw/zinc/36/65/14/509366514.db2.gz KGXHRQHKWZSTKK-SFHVURJKSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000227122066 509405781 /nfs/dbraw/zinc/40/57/81/509405781.db2.gz FNGVCRCTNXSRMK-GGPKGHCWSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000227122066 509405789 /nfs/dbraw/zinc/40/57/89/509405789.db2.gz FNGVCRCTNXSRMK-GGPKGHCWSA-N 1 3 360.546 2.579 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000189171383 509448643 /nfs/dbraw/zinc/44/86/43/509448643.db2.gz DEFGCLOVOUEOBA-KRWDZBQOSA-N 1 3 366.575 2.943 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000179477515 509466868 /nfs/dbraw/zinc/46/68/68/509466868.db2.gz GHWNVIACZUULEA-VBSBHUPXSA-N 1 3 358.530 2.804 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000179477515 509466874 /nfs/dbraw/zinc/46/68/74/509466874.db2.gz GHWNVIACZUULEA-VBSBHUPXSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176374357 509474037 /nfs/dbraw/zinc/47/40/37/509474037.db2.gz VGHIEQPANLCVLX-QGZVFWFLSA-N 1 3 350.551 2.957 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000173412458 509583463 /nfs/dbraw/zinc/58/34/63/509583463.db2.gz GEDJROYGCDAXBR-UXPWSPDFSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000173412458 509583469 /nfs/dbraw/zinc/58/34/69/509583469.db2.gz GEDJROYGCDAXBR-UXPWSPDFSA-N 1 3 360.546 2.976 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000166012965 509592043 /nfs/dbraw/zinc/59/20/43/509592043.db2.gz TVBLUJXLBXLCGB-HOCLYGCPSA-N 1 3 365.909 2.928 20 0 FFADHO CCN1CCN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000192683039 509596313 /nfs/dbraw/zinc/59/63/13/509596313.db2.gz ABKJFTLJTFDELQ-FRIKZZABSA-N 1 3 356.558 2.539 20 0 FFADHO CCN1CCN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000192683039 509596317 /nfs/dbraw/zinc/59/63/17/509596317.db2.gz ABKJFTLJTFDELQ-FRIKZZABSA-N 1 3 356.558 2.539 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccnn1C ZINC000192695640 509601503 /nfs/dbraw/zinc/60/15/03/509601503.db2.gz HUWBABBJKDWPHY-IBGZPJMESA-N 1 3 355.530 2.669 20 0 FFADHO CN(C)C(=O)[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000179755446 509607030 /nfs/dbraw/zinc/60/70/30/509607030.db2.gz AUJIYRCWMZWHEC-FQEVSTJZSA-N 1 3 352.482 2.717 20 0 FFADHO CN1CCN(CCC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183126503 509612903 /nfs/dbraw/zinc/61/29/03/509612903.db2.gz UPPYSALFIGHEPM-VABKMULXSA-N 1 3 370.585 2.514 20 0 FFADHO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@@H](C)O1 ZINC000176702399 509649810 /nfs/dbraw/zinc/64/98/10/509649810.db2.gz VHFHJSXXJUQQPB-SBHAEUEKSA-N 1 3 373.541 2.657 20 0 FFADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168905812 509653037 /nfs/dbraw/zinc/65/30/37/509653037.db2.gz OBXUWTNSTAUTCO-GOSISDBHSA-N 1 3 359.514 2.782 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2ccccc2)o1 ZINC000168955385 509655093 /nfs/dbraw/zinc/65/50/93/509655093.db2.gz STGJHVXORYLBED-LJQANCHMSA-N 1 3 371.525 2.987 20 0 FFADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(Cc2ccccc2)CC1 ZINC000237479818 509659004 /nfs/dbraw/zinc/65/90/04/509659004.db2.gz ZJRFAEMUOQMHLL-XVSDAANHSA-N 1 3 355.526 2.729 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CSCCN1 ZINC000237519899 509668702 /nfs/dbraw/zinc/66/87/02/509668702.db2.gz PQLJOQDTYLNPFH-QFBILLFUSA-N 1 3 361.555 2.772 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CSCCN1 ZINC000237519899 509668707 /nfs/dbraw/zinc/66/87/07/509668707.db2.gz PQLJOQDTYLNPFH-QFBILLFUSA-N 1 3 361.555 2.772 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189710885 509714553 /nfs/dbraw/zinc/71/45/53/509714553.db2.gz POEWENMAOJISCO-HDICACEKSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189710885 509714558 /nfs/dbraw/zinc/71/45/58/509714558.db2.gz POEWENMAOJISCO-HDICACEKSA-N 1 3 352.567 2.870 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000173746696 509753069 /nfs/dbraw/zinc/75/30/69/509753069.db2.gz YKWDWWPWGDOCCB-OAQYLSRUSA-N 1 3 368.525 2.615 20 0 FFADHO CN(C)CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000180106984 509755821 /nfs/dbraw/zinc/75/58/21/509755821.db2.gz DHFUKFPXZCDCCK-NOTZXAQLSA-N 1 3 370.585 2.798 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180109246 509756326 /nfs/dbraw/zinc/75/63/26/509756326.db2.gz JSLTXKCQDALDAT-GOSISDBHSA-N 1 3 354.542 2.951 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000180160781 509785955 /nfs/dbraw/zinc/78/59/55/509785955.db2.gz WICKEVMULITIKK-HOTGVXAUSA-N 1 3 365.484 2.882 20 0 FFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000238023436 509801145 /nfs/dbraw/zinc/80/11/45/509801145.db2.gz NDRQVUQPNBMLOK-OAQYLSRUSA-N 1 3 351.494 2.947 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268211304 509816275 /nfs/dbraw/zinc/81/62/75/509816275.db2.gz ZQEMYKQGILKTNG-QFUCXCTJSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268211304 509816277 /nfs/dbraw/zinc/81/62/77/509816277.db2.gz ZQEMYKQGILKTNG-QFUCXCTJSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000252215210 509834194 /nfs/dbraw/zinc/83/41/94/509834194.db2.gz XLLYNAPKZQHNGY-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000252215210 509834197 /nfs/dbraw/zinc/83/41/97/509834197.db2.gz XLLYNAPKZQHNGY-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000186990882 509991114 /nfs/dbraw/zinc/99/11/14/509991114.db2.gz KXBCGKYMDXEUTO-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)C2CCC(C)CC2)[C@H](C)C1 ZINC000187013752 510006040 /nfs/dbraw/zinc/00/60/40/510006040.db2.gz DLPZYSMOXUEENR-CQJJOKNBSA-N 1 3 367.578 2.750 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccc(CO)o3)CC2)c1 ZINC000174258183 510027001 /nfs/dbraw/zinc/02/70/01/510027001.db2.gz PACQFIIGJUBUHH-UHFFFAOYSA-N 1 3 357.498 2.772 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000268842584 510095669 /nfs/dbraw/zinc/09/56/69/510095669.db2.gz NEVODUUSAKXXEV-KRWDZBQOSA-N 1 3 350.503 2.863 20 0 FFADHO c1csc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)CC2)c1 ZINC000261923471 510118505 /nfs/dbraw/zinc/11/85/05/510118505.db2.gz KRNJWYPGACKTDL-ZCNNSNEGSA-N 1 3 363.571 2.707 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000177621115 510165159 /nfs/dbraw/zinc/16/51/59/510165159.db2.gz BUIHDPZDURAKJA-QFBILLFUSA-N 1 3 370.541 2.748 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000177621115 510165167 /nfs/dbraw/zinc/16/51/67/510165167.db2.gz BUIHDPZDURAKJA-QFBILLFUSA-N 1 3 370.541 2.748 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CN1C1CC1 ZINC000177632223 510170341 /nfs/dbraw/zinc/17/03/41/510170341.db2.gz CBTFSKIMLJINKQ-FXAWDEMLSA-N 1 3 370.541 2.618 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccc(C(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262220728 510213460 /nfs/dbraw/zinc/21/34/60/510213460.db2.gz MPLKEIXYDUKCKN-WBVHZDCISA-N 1 3 351.441 2.704 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000245928818 510213789 /nfs/dbraw/zinc/21/37/89/510213789.db2.gz HYZJGTLVLMUHAG-GUDVDZBRSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000245928818 510213796 /nfs/dbraw/zinc/21/37/96/510213796.db2.gz HYZJGTLVLMUHAG-GUDVDZBRSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2csc3ccccc23)C1)[C@@H]1CCC[NH2+]1 ZINC000262291172 510235431 /nfs/dbraw/zinc/23/54/31/510235431.db2.gz WCLRZGSMURXBNZ-YJBOKZPZSA-N 1 3 357.523 2.982 20 0 FFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000245990981 510239626 /nfs/dbraw/zinc/23/96/26/510239626.db2.gz QRVITNRTKORBPG-OALUTQOASA-N 1 3 350.551 2.768 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1(C)C ZINC000262406468 510270608 /nfs/dbraw/zinc/27/06/08/510270608.db2.gz NHFDKRKTMWDHCJ-XJKSGUPXSA-N 1 3 359.392 2.635 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000174746985 510288761 /nfs/dbraw/zinc/28/87/61/510288761.db2.gz UPYHNUCLAMRDDZ-WMZOPIPTSA-N 1 3 364.559 2.772 20 0 FFADHO C[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N(C)C1CC1 ZINC000171662228 510290774 /nfs/dbraw/zinc/29/07/74/510290774.db2.gz VXSXDDHZBCNDIV-KRWDZBQOSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000246130763 510312548 /nfs/dbraw/zinc/31/25/48/510312548.db2.gz IXRGLKUZMUHXMT-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000246130763 510312553 /nfs/dbraw/zinc/31/25/53/510312553.db2.gz IXRGLKUZMUHXMT-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000171731564 510336037 /nfs/dbraw/zinc/33/60/37/510336037.db2.gz JSBOJSLEMWICGW-UHFFFAOYSA-N 1 3 372.557 2.807 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000246181262 510343847 /nfs/dbraw/zinc/34/38/47/510343847.db2.gz HGODEYGUXNSABQ-AHRSYUTCSA-N 1 3 360.546 2.833 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000246181262 510343853 /nfs/dbraw/zinc/34/38/53/510343853.db2.gz HGODEYGUXNSABQ-AHRSYUTCSA-N 1 3 360.546 2.833 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000262655809 510354086 /nfs/dbraw/zinc/35/40/86/510354086.db2.gz UKVPUQAWVJNIBT-JRGCBEDISA-N 1 3 351.494 2.726 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000262655809 510354089 /nfs/dbraw/zinc/35/40/89/510354089.db2.gz UKVPUQAWVJNIBT-JRGCBEDISA-N 1 3 351.494 2.726 20 0 FFADHO C[C@H](NCCNC(=O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000178021009 510380331 /nfs/dbraw/zinc/38/03/31/510380331.db2.gz WOYSFLPOUYEZSF-KRWDZBQOSA-N 1 3 355.482 2.708 20 0 FFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000178040193 510394870 /nfs/dbraw/zinc/39/48/70/510394870.db2.gz USMOZHXBUCAHNL-FHWLQOOXSA-N 1 3 361.530 2.907 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000262784022 510410727 /nfs/dbraw/zinc/41/07/27/510410727.db2.gz LVUWRSKZGWOEEB-DENIHFKCSA-N 1 3 373.541 2.608 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262793339 510413669 /nfs/dbraw/zinc/41/36/69/510413669.db2.gz NEQMDLKTEBFESW-HFTRVMKXSA-N 1 3 369.431 2.555 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246395825 510465341 /nfs/dbraw/zinc/46/53/41/510465341.db2.gz CTYGSOVFRPWOCB-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246395825 510465344 /nfs/dbraw/zinc/46/53/44/510465344.db2.gz CTYGSOVFRPWOCB-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000246401554 510467777 /nfs/dbraw/zinc/46/77/77/510467777.db2.gz UARIBBWAFSRONA-RLLQIKCJSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000246401554 510467787 /nfs/dbraw/zinc/46/77/87/510467787.db2.gz UARIBBWAFSRONA-RLLQIKCJSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000246416848 510478697 /nfs/dbraw/zinc/47/86/97/510478697.db2.gz BQYBMGQUTJPXSX-AFYVEPGGSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000246416848 510478701 /nfs/dbraw/zinc/47/87/01/510478701.db2.gz BQYBMGQUTJPXSX-AFYVEPGGSA-N 1 3 356.514 2.528 20 0 FFADHO CC[N@@H+]1CC[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)[C@@H](C)C1 ZINC000246423481 510482316 /nfs/dbraw/zinc/48/23/16/510482316.db2.gz NKPYEAYQGQEHOX-PXNSSMCTSA-N 1 3 364.965 2.782 20 0 FFADHO CC[N@H+]1CC[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)[C@@H](C)C1 ZINC000246423481 510482324 /nfs/dbraw/zinc/48/23/24/510482324.db2.gz NKPYEAYQGQEHOX-PXNSSMCTSA-N 1 3 364.965 2.782 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246475615 510509435 /nfs/dbraw/zinc/50/94/35/510509435.db2.gz HCAFQMMWHLFIQT-WLRLJWMZSA-N 1 3 370.541 2.918 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246475615 510509444 /nfs/dbraw/zinc/50/94/44/510509444.db2.gz HCAFQMMWHLFIQT-WLRLJWMZSA-N 1 3 370.541 2.918 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246490125 510517958 /nfs/dbraw/zinc/51/79/58/510517958.db2.gz WFBGGTRLYXIPEC-VQTJNVASSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246490125 510517965 /nfs/dbraw/zinc/51/79/65/510517965.db2.gz WFBGGTRLYXIPEC-VQTJNVASSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000246665504 510608773 /nfs/dbraw/zinc/60/87/73/510608773.db2.gz WTDPZXBVIBWTQG-YZGWKJHDSA-N 1 3 356.514 2.529 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000263275483 510640831 /nfs/dbraw/zinc/64/08/31/510640831.db2.gz QGRNCYGEFKNOIC-PKOBYXMFSA-N 1 3 357.523 2.646 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000263275483 510640839 /nfs/dbraw/zinc/64/08/39/510640839.db2.gz QGRNCYGEFKNOIC-PKOBYXMFSA-N 1 3 357.523 2.646 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000246758995 510658429 /nfs/dbraw/zinc/65/84/29/510658429.db2.gz ZZJMFRUOSGNIQP-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000246758995 510658437 /nfs/dbraw/zinc/65/84/37/510658437.db2.gz ZZJMFRUOSGNIQP-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1(C)C ZINC000188267789 510677225 /nfs/dbraw/zinc/67/72/25/510677225.db2.gz KYAUAPBBFRTFCA-MMOPVJDHSA-N 1 3 361.530 2.546 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1(C)C ZINC000188267789 510677235 /nfs/dbraw/zinc/67/72/35/510677235.db2.gz KYAUAPBBFRTFCA-MMOPVJDHSA-N 1 3 361.530 2.546 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C12CCCC2 ZINC000181975578 510685997 /nfs/dbraw/zinc/68/59/97/510685997.db2.gz UTDVCMLNOCYHKN-PMACEKPBSA-N 1 3 373.541 2.805 20 0 FFADHO C[C@H](CC(=O)NC1CCN(CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178688827 510723962 /nfs/dbraw/zinc/72/39/62/510723962.db2.gz HPUMEWQLNQKKFG-UYAOXDASSA-N 1 3 357.542 2.836 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246881552 510725343 /nfs/dbraw/zinc/72/53/43/510725343.db2.gz IAMPCMJNGZVUSD-IEBWSBKVSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246881552 510725348 /nfs/dbraw/zinc/72/53/48/510725348.db2.gz IAMPCMJNGZVUSD-IEBWSBKVSA-N 1 3 365.562 2.647 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](CN)c1ccccc1)Cc1ccccc1 ZINC000178701375 510728491 /nfs/dbraw/zinc/72/84/91/510728491.db2.gz FMILMURVXSONSR-NHCUHLMSSA-N 1 3 353.510 2.798 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000191595609 510742444 /nfs/dbraw/zinc/74/24/44/510742444.db2.gz NOSPKOARBNTYFW-JOCHJYFZSA-N 1 3 359.558 2.676 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000191595609 510742453 /nfs/dbraw/zinc/74/24/53/510742453.db2.gz NOSPKOARBNTYFW-JOCHJYFZSA-N 1 3 359.558 2.676 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000246982811 510780151 /nfs/dbraw/zinc/78/01/51/510780151.db2.gz PXQBQYAGVMJJIC-XMTFNYHQSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000246982811 510780162 /nfs/dbraw/zinc/78/01/62/510780162.db2.gz PXQBQYAGVMJJIC-XMTFNYHQSA-N 1 3 350.551 2.669 20 0 FFADHO COc1cc(C)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343811 510793593 /nfs/dbraw/zinc/79/35/93/510793593.db2.gz FJSVQXRNAFAYAQ-UHFFFAOYSA-N 1 3 360.502 2.684 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[C@H](C)[NH+]3CCCCC3)cc2)CC1 ZINC000182224020 510821446 /nfs/dbraw/zinc/82/14/46/510821446.db2.gz LTSBLEVDILLBJR-IBGZPJMESA-N 1 3 372.557 2.823 20 0 FFADHO Cc1cccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000263760583 510831353 /nfs/dbraw/zinc/83/13/53/510831353.db2.gz RFEVIZOUZWNZTR-UHFFFAOYSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)N(C)C)cc1 ZINC000247324137 510857097 /nfs/dbraw/zinc/85/70/97/510857097.db2.gz WKPWUKDGWJOBLL-UFYCRDLUSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)N(C)C)cc1 ZINC000247324137 510857098 /nfs/dbraw/zinc/85/70/98/510857098.db2.gz WKPWUKDGWJOBLL-UFYCRDLUSA-N 1 3 358.530 2.723 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247376319 510859093 /nfs/dbraw/zinc/85/90/93/510859093.db2.gz STLLHBZKVOWMPD-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247376319 510859094 /nfs/dbraw/zinc/85/90/94/510859094.db2.gz STLLHBZKVOWMPD-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000294015235 510929439 /nfs/dbraw/zinc/92/94/39/510929439.db2.gz GASFFHGUNLIQNA-PZJWPPBQSA-N 1 3 372.557 2.531 20 0 FFADHO Cc1cc(N2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)nc(C)n1 ZINC000294128377 510965233 /nfs/dbraw/zinc/96/52/33/510965233.db2.gz FHRQKXKDQHSIKN-UHFFFAOYSA-N 1 3 366.513 2.716 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4c3OCCC4)CC2)CC1 ZINC000364625917 510979201 /nfs/dbraw/zinc/97/92/01/510979201.db2.gz BLRNKEUUQXMKRK-UHFFFAOYSA-N 1 3 372.513 2.692 20 0 FFADHO Cc1ccc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCOCC2)o1 ZINC000294271177 511009761 /nfs/dbraw/zinc/00/97/61/511009761.db2.gz RTORDWCTLWQWAL-HXUWFJFHSA-N 1 3 370.497 2.615 20 0 FFADHO CN1CCC(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)CC1 ZINC000279592944 511139618 /nfs/dbraw/zinc/13/96/18/511139618.db2.gz ATWYZGXHCDXTJV-UHFFFAOYSA-N 1 3 358.530 2.745 20 0 FFADHO OC[C@H](C[C@H](O)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000271560227 511245799 /nfs/dbraw/zinc/24/57/99/511245799.db2.gz WRNKWSGHCKYIJP-VXKWHMMOSA-N 1 3 354.494 2.725 20 0 FFADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271815202 511335063 /nfs/dbraw/zinc/33/50/63/511335063.db2.gz UZSJMRKIIOHGNJ-LPHOPBHVSA-N 1 3 359.514 2.869 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000365257896 511346792 /nfs/dbraw/zinc/34/67/92/511346792.db2.gz AZVPRLKLEGLTJA-PMACEKPBSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000365257896 511346799 /nfs/dbraw/zinc/34/67/99/511346799.db2.gz AZVPRLKLEGLTJA-PMACEKPBSA-N 1 3 358.530 2.695 20 0 FFADHO CCN(CC)[C@@H](CNC1CC[NH+](CCCC(=O)OC)CC1)c1ccco1 ZINC000271851727 511347551 /nfs/dbraw/zinc/34/75/51/511347551.db2.gz WDZRUOYBZQGZRP-SFHVURJKSA-N 1 3 365.518 2.670 20 0 FFADHO C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000283563541 511415994 /nfs/dbraw/zinc/41/59/94/511415994.db2.gz IMJVCSSOMLLFBO-RDTXWAMCSA-N 1 3 364.921 2.892 20 0 FFADHO C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000283563541 511415999 /nfs/dbraw/zinc/41/59/99/511415999.db2.gz IMJVCSSOMLLFBO-RDTXWAMCSA-N 1 3 364.921 2.892 20 0 FFADHO O=C(CC[C@H]1CCC[NH2+]1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000292040890 511441123 /nfs/dbraw/zinc/44/11/23/511441123.db2.gz IDLYNGWQLSVOKJ-GOSISDBHSA-N 1 3 356.514 2.689 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000273539218 511530356 /nfs/dbraw/zinc/53/03/56/511530356.db2.gz SUWAYOWOWVVBRQ-LSTHTHJFSA-N 1 3 358.530 2.804 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000299293061 511581162 /nfs/dbraw/zinc/58/11/62/511581162.db2.gz SNCFJZNVDPBKRS-HXUWFJFHSA-N 1 3 372.557 2.677 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000299293061 511581166 /nfs/dbraw/zinc/58/11/66/511581166.db2.gz SNCFJZNVDPBKRS-HXUWFJFHSA-N 1 3 372.557 2.677 20 0 FFADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000302996270 511722909 /nfs/dbraw/zinc/72/29/09/511722909.db2.gz SXRSADUHCSCTLT-FQEVSTJZSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000303017160 511724990 /nfs/dbraw/zinc/72/49/90/511724990.db2.gz QDCRBGCONVKAJT-UYAOXDASSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000303017160 511724994 /nfs/dbraw/zinc/72/49/94/511724994.db2.gz QDCRBGCONVKAJT-UYAOXDASSA-N 1 3 374.573 2.969 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284543185 511765713 /nfs/dbraw/zinc/76/57/13/511765713.db2.gz XOTWEGSSTXKYLA-HNNXBMFYSA-N 1 3 354.926 2.812 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092434 511818395 /nfs/dbraw/zinc/81/83/95/511818395.db2.gz UUZKEPREWQBPCW-DOMZBBRYSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092434 511818399 /nfs/dbraw/zinc/81/83/99/511818399.db2.gz UUZKEPREWQBPCW-DOMZBBRYSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092434 511818404 /nfs/dbraw/zinc/81/84/04/511818404.db2.gz UUZKEPREWQBPCW-DOMZBBRYSA-N 1 3 359.297 2.807 20 0 FFADHO COc1c(Br)cccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000274832914 511956909 /nfs/dbraw/zinc/95/69/09/511956909.db2.gz UUHQJTWKCUPOOB-UHFFFAOYSA-N 1 3 371.319 2.783 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC([NH+]3CCCCC3)C2)o1 ZINC000366378744 511988138 /nfs/dbraw/zinc/98/81/38/511988138.db2.gz LLYVHRNEGHIREK-UHFFFAOYSA-N 1 3 362.518 2.678 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000297163580 512044519 /nfs/dbraw/zinc/04/45/19/512044519.db2.gz CYMFUXLLGSPYEK-MYGLTJDJSA-N 1 3 357.542 2.618 20 0 FFADHO OCCCN1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000297163580 512044523 /nfs/dbraw/zinc/04/45/23/512044523.db2.gz CYMFUXLLGSPYEK-MYGLTJDJSA-N 1 3 357.542 2.618 20 0 FFADHO OCCCN1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000297163580 512044530 /nfs/dbraw/zinc/04/45/30/512044530.db2.gz CYMFUXLLGSPYEK-MYGLTJDJSA-N 1 3 357.542 2.618 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000366516594 512064967 /nfs/dbraw/zinc/06/49/67/512064967.db2.gz GQJIZFNSYKTOTL-HXUWFJFHSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)CC[C@@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(C)(C)C ZINC000377807057 512459130 /nfs/dbraw/zinc/45/91/30/512459130.db2.gz MYIXKUZKMFGXAW-ZWKOTPCHSA-N 1 3 367.559 2.667 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cn1 ZINC000375719754 512471553 /nfs/dbraw/zinc/47/15/53/512471553.db2.gz OUGVSWCPAYOLHI-NCYKPQTJSA-N 1 3 365.525 2.784 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cn1 ZINC000375719754 512471556 /nfs/dbraw/zinc/47/15/56/512471556.db2.gz OUGVSWCPAYOLHI-NCYKPQTJSA-N 1 3 365.525 2.784 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000373932613 512577311 /nfs/dbraw/zinc/57/73/11/512577311.db2.gz ILOTZTOIDIUFBJ-SFTDATJTSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000373932613 512577316 /nfs/dbraw/zinc/57/73/16/512577316.db2.gz ILOTZTOIDIUFBJ-SFTDATJTSA-N 1 3 370.541 2.885 20 0 FFADHO c1cc(CN2CCCCC2)cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000411315074 512577576 /nfs/dbraw/zinc/57/75/76/512577576.db2.gz SPEBXEORHLGJGY-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO c1cc(CN2CCCCC2)cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000411315074 512577580 /nfs/dbraw/zinc/57/75/80/512577580.db2.gz SPEBXEORHLGJGY-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO C[C@@]1(CNC(=O)NC2CCN(C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000374006185 512617379 /nfs/dbraw/zinc/61/73/79/512617379.db2.gz PYWCEQSXLMUCRD-QFIPXVFZSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@]1(CNC(=O)NC2CCN(C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000374006185 512617384 /nfs/dbraw/zinc/61/73/84/512617384.db2.gz PYWCEQSXLMUCRD-QFIPXVFZSA-N 1 3 370.541 2.825 20 0 FFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000411556523 512687770 /nfs/dbraw/zinc/68/77/70/512687770.db2.gz XSBCDOJDCGEXPB-CTNGQTDRSA-N 1 3 357.542 2.978 20 0 FFADHO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370148707 512792125 /nfs/dbraw/zinc/79/21/25/512792125.db2.gz MADVGXYXNWLXDZ-WIYYLYMNSA-N 1 3 373.541 2.710 20 0 FFADHO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370148707 512792129 /nfs/dbraw/zinc/79/21/29/512792129.db2.gz MADVGXYXNWLXDZ-WIYYLYMNSA-N 1 3 373.541 2.710 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)cc2)CC1 ZINC000376396981 512800179 /nfs/dbraw/zinc/80/01/79/512800179.db2.gz QDLKYGVHIJAUEZ-WIYYLYMNSA-N 1 3 370.541 2.527 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C12CCC2 ZINC000397529905 512947861 /nfs/dbraw/zinc/94/78/61/512947861.db2.gz YSVGHYGLYWYAHQ-VQTJNVASSA-N 1 3 358.526 2.951 20 0 FFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397530646 512948025 /nfs/dbraw/zinc/94/80/25/512948025.db2.gz ZEHVSRYTSRYURB-HXUWFJFHSA-N 1 3 356.514 2.524 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417647075 513136397 /nfs/dbraw/zinc/13/63/97/513136397.db2.gz DXQOIUUYYIBJKQ-NHCUHLMSSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000417675670 513153289 /nfs/dbraw/zinc/15/32/89/513153289.db2.gz CONXBEYVIPJWAM-SFHVURJKSA-N 1 3 370.541 2.997 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000424479083 513162530 /nfs/dbraw/zinc/16/25/30/513162530.db2.gz NVTRYMMQCUSESD-BRWVUGGUSA-N 1 3 350.532 2.580 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[NH2+]1 ZINC000417689760 513164075 /nfs/dbraw/zinc/16/40/75/513164075.db2.gz UFYWCWXGONEUAW-NSISKUIASA-N 1 3 372.557 2.899 20 0 FFADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417690997 513164214 /nfs/dbraw/zinc/16/42/14/513164214.db2.gz WEIAKGLDSSEAHI-ATZDWAIDSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417692167 513165005 /nfs/dbraw/zinc/16/50/05/513165005.db2.gz NYRLOTVCEHZGOV-UWVAXJGDSA-N 1 3 358.530 2.981 20 0 FFADHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000428694424 513166029 /nfs/dbraw/zinc/16/60/29/513166029.db2.gz BGRCTQNTJLOXIQ-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000428694424 513166032 /nfs/dbraw/zinc/16/60/32/513166032.db2.gz BGRCTQNTJLOXIQ-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H]1C ZINC000417733466 513185839 /nfs/dbraw/zinc/18/58/39/513185839.db2.gz IVOACNXQYSUDPF-JKQORVJESA-N 1 3 350.532 2.523 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H]1C ZINC000417733466 513185844 /nfs/dbraw/zinc/18/58/44/513185844.db2.gz IVOACNXQYSUDPF-JKQORVJESA-N 1 3 350.532 2.523 20 0 FFADHO CN1CCC[C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000417740443 513190966 /nfs/dbraw/zinc/19/09/66/513190966.db2.gz RPFLHGZGWSTKJW-QGPMSJSTSA-N 1 3 362.543 2.667 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000446138563 513195362 /nfs/dbraw/zinc/19/53/62/513195362.db2.gz LQJRBWRXCOUSKR-JPAWQOSXSA-N 1 3 373.541 2.718 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000417816819 513220043 /nfs/dbraw/zinc/22/00/43/513220043.db2.gz CWBHPSUKZFFJDY-FQEVSTJZSA-N 1 3 358.530 2.955 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417837708 513230437 /nfs/dbraw/zinc/23/04/37/513230437.db2.gz XPHZNKKIAIKAHH-PBASOCQRSA-N 1 3 370.541 2.538 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CC[NH3+])C2)CCN1Cc1ccccc1 ZINC000417841758 513231558 /nfs/dbraw/zinc/23/15/58/513231558.db2.gz PCEYQMSQASDRRE-RLLQIKCJSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000428984109 513239753 /nfs/dbraw/zinc/23/97/53/513239753.db2.gz WPVGNLZVFLADLF-PIKOESSRSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000428984109 513239760 /nfs/dbraw/zinc/23/97/60/513239760.db2.gz WPVGNLZVFLADLF-PIKOESSRSA-N 1 3 358.530 2.821 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446625685 513298307 /nfs/dbraw/zinc/29/83/07/513298307.db2.gz SHHOEIHTKKSRBS-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417974343 513312126 /nfs/dbraw/zinc/31/21/26/513312126.db2.gz DFLRFYZZBAYBQM-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418025381 513339103 /nfs/dbraw/zinc/33/91/03/513339103.db2.gz DIGNSBMOJRQHFK-IBGZPJMESA-N 1 3 360.546 2.832 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418026701 513340943 /nfs/dbraw/zinc/34/09/43/513340943.db2.gz FTUJMUFEDSKOSF-UXHICEINSA-N 1 3 360.546 2.913 20 0 FFADHO CCCN(C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000418049940 513354112 /nfs/dbraw/zinc/35/41/12/513354112.db2.gz ZKZDGLSMOZGQIS-TZIWHRDSSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000418096336 513370039 /nfs/dbraw/zinc/37/00/39/513370039.db2.gz WXKSCLPCGGRKKK-FQEVSTJZSA-N 1 3 358.530 2.983 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000421686161 513370054 /nfs/dbraw/zinc/37/00/54/513370054.db2.gz ZKBDWJPFPQIOBW-UHFFFAOYSA-N 1 3 372.557 2.578 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000418130937 513383991 /nfs/dbraw/zinc/38/39/91/513383991.db2.gz COBYZJSBAUANCB-NHCUHLMSSA-N 1 3 366.509 2.896 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000418130937 513383995 /nfs/dbraw/zinc/38/39/95/513383995.db2.gz COBYZJSBAUANCB-NHCUHLMSSA-N 1 3 366.509 2.896 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418132587 513385315 /nfs/dbraw/zinc/38/53/15/513385315.db2.gz DUXXGNAXBUTLGO-AZUAARDMSA-N 1 3 358.530 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000418138636 513387811 /nfs/dbraw/zinc/38/78/11/513387811.db2.gz JKLKUIPNUVLTQG-UYAOXDASSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)C1CC[NH2+]CC1 ZINC000418151785 513392845 /nfs/dbraw/zinc/39/28/45/513392845.db2.gz GBEHFPGAPIPWGL-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccco1 ZINC000418170631 513403565 /nfs/dbraw/zinc/40/35/65/513403565.db2.gz SKMJHIFKECUJDB-RYQLBKOJSA-N 1 3 362.518 2.882 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccco1 ZINC000418174169 513404830 /nfs/dbraw/zinc/40/48/30/513404830.db2.gz ZSHVONZSBLUAHG-KANFNMMFSA-N 1 3 370.497 2.764 20 0 FFADHO C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000418189222 513412695 /nfs/dbraw/zinc/41/26/95/513412695.db2.gz VDXSCQZHXFVIEC-DBVUQKKJSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418188989 513412998 /nfs/dbraw/zinc/41/29/98/513412998.db2.gz GWPJYHXCMKTLHW-CTNGQTDRSA-N 1 3 360.546 2.868 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC[NH2+]CC1 ZINC000418193542 513414484 /nfs/dbraw/zinc/41/44/84/513414484.db2.gz NTPKGGCYGJZBAJ-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1Cc1ccccc1 ZINC000418193869 513416054 /nfs/dbraw/zinc/41/60/54/513416054.db2.gz NYAWDUVWYSUBHY-UIFIKXQLSA-N 1 3 370.541 2.823 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000434785240 513430036 /nfs/dbraw/zinc/43/00/36/513430036.db2.gz FDALEFCFAAKJBC-NRFANRHFSA-N 1 3 356.558 2.935 20 0 FFADHO C[C@H](C[NH3+])CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415805717 513430831 /nfs/dbraw/zinc/43/08/31/513430831.db2.gz NEGDEDRAZOZOTJ-GFCCVEGCSA-N 1 3 354.882 2.529 20 0 FFADHO COC1([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCCCC1 ZINC000421843269 513450542 /nfs/dbraw/zinc/45/05/42/513450542.db2.gz MKDDNOOREGOJJG-KRWDZBQOSA-N 1 3 361.530 2.805 20 0 FFADHO COC1([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCCCC1 ZINC000421843271 513451122 /nfs/dbraw/zinc/45/11/22/513451122.db2.gz MKDDNOOREGOJJG-QGZVFWFLSA-N 1 3 361.530 2.805 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000415888561 513464464 /nfs/dbraw/zinc/46/44/64/513464464.db2.gz ABCUKQSPNZMZNP-HXUWFJFHSA-N 1 3 368.481 2.765 20 0 FFADHO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418342740 513474165 /nfs/dbraw/zinc/47/41/65/513474165.db2.gz IZVUVKDSNXTTIL-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000415966037 513504664 /nfs/dbraw/zinc/50/46/64/513504664.db2.gz BLNRWLUPYNYGRD-UHFFFAOYSA-N 1 3 360.502 2.802 20 0 FFADHO [NH3+]Cc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc(C(F)(F)F)c1 ZINC000415968371 513506328 /nfs/dbraw/zinc/50/63/28/513506328.db2.gz IXPNCJQREUVMFK-HNNXBMFYSA-N 1 3 354.376 2.642 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418430592 513507001 /nfs/dbraw/zinc/50/70/01/513507001.db2.gz PKGMALROXQJLRR-PZJWPPBQSA-N 1 3 366.509 2.850 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418430592 513507005 /nfs/dbraw/zinc/50/70/05/513507005.db2.gz PKGMALROXQJLRR-PZJWPPBQSA-N 1 3 366.509 2.850 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)C[C@@H](C)O1 ZINC000415971229 513508033 /nfs/dbraw/zinc/50/80/33/513508033.db2.gz FZIZZTFRKROWDA-IAGOWNOFSA-N 1 3 374.529 2.889 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418453158 513517146 /nfs/dbraw/zinc/51/71/46/513517146.db2.gz OWLDHICQZLCEFE-FQEVSTJZSA-N 1 3 354.498 2.980 20 0 FFADHO C[C@@H](C[NH3+])CNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418481370 513528397 /nfs/dbraw/zinc/52/83/97/513528397.db2.gz DFUFZUYGEICBBI-FXAWDEMLSA-N 1 3 372.557 2.913 20 0 FFADHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC(C)C ZINC000441337980 513543003 /nfs/dbraw/zinc/54/30/03/513543003.db2.gz VZONWRXHJIVFKF-UHFFFAOYSA-N 1 3 363.546 2.846 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425440740 513566235 /nfs/dbraw/zinc/56/62/35/513566235.db2.gz HCYLEFPTLCTRFV-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425440740 513566241 /nfs/dbraw/zinc/56/62/41/513566241.db2.gz HCYLEFPTLCTRFV-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418662960 513600127 /nfs/dbraw/zinc/60/01/27/513600127.db2.gz VTPLTAQMEKQDCU-PCCBWWKXSA-N 1 3 370.541 2.681 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418663172 513600594 /nfs/dbraw/zinc/60/05/94/513600594.db2.gz FSJHQOWVBWKGKG-IYARVYRRSA-N 1 3 360.546 2.961 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416151785 513603119 /nfs/dbraw/zinc/60/31/19/513603119.db2.gz SJAORJPDOGIJRZ-FQEVSTJZSA-N 1 3 354.498 2.665 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN(C2CCC2)C1 ZINC000418680343 513609768 /nfs/dbraw/zinc/60/97/68/513609768.db2.gz UPCUXLKRGIVICT-PXNSSMCTSA-N 1 3 358.530 2.982 20 0 FFADHO CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418702387 513617935 /nfs/dbraw/zinc/61/79/35/513617935.db2.gz ANMHJQSSVIXPCQ-HNNXBMFYSA-N 1 3 360.424 2.516 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418774409 513651404 /nfs/dbraw/zinc/65/14/04/513651404.db2.gz RJTKJXNYEKATRV-MRXNPFEDSA-N 1 3 368.472 2.570 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000448036402 513662874 /nfs/dbraw/zinc/66/28/74/513662874.db2.gz XXXABSSBXOPUBG-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000448036402 513662884 /nfs/dbraw/zinc/66/28/84/513662884.db2.gz XXXABSSBXOPUBG-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+](C)[C@@H](CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccccc1 ZINC000416234394 513664386 /nfs/dbraw/zinc/66/43/86/513664386.db2.gz NVDPJAKSAIQYIL-RTWAWAEBSA-N 1 3 367.493 2.885 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)[C@@H]2C1 ZINC000425649517 513678846 /nfs/dbraw/zinc/67/88/46/513678846.db2.gz KCCXSONZGUPUSO-SLFFLAALSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)[C@@H]2C1 ZINC000425649517 513678851 /nfs/dbraw/zinc/67/88/51/513678851.db2.gz KCCXSONZGUPUSO-SLFFLAALSA-N 1 3 356.514 2.559 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430576843 513694010 /nfs/dbraw/zinc/69/40/10/513694010.db2.gz YIFKIOOXLXTCTB-YJBOKZPZSA-N 1 3 369.513 2.877 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000448203306 513706858 /nfs/dbraw/zinc/70/68/58/513706858.db2.gz XLSVEWGAVAWALT-GUDVDZBRSA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000448203306 513706866 /nfs/dbraw/zinc/70/68/66/513706866.db2.gz XLSVEWGAVAWALT-GUDVDZBRSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448208329 513708703 /nfs/dbraw/zinc/70/87/03/513708703.db2.gz GYKGBOVMIKTYDQ-HLNWXESRSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448208329 513708713 /nfs/dbraw/zinc/70/87/13/513708713.db2.gz GYKGBOVMIKTYDQ-HLNWXESRSA-N 1 3 362.562 2.908 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000425746753 513728842 /nfs/dbraw/zinc/72/88/42/513728842.db2.gz UVPDVSQXEHHBSP-PWRODBHTSA-N 1 3 370.541 2.633 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000425746753 513728847 /nfs/dbraw/zinc/72/88/47/513728847.db2.gz UVPDVSQXEHHBSP-PWRODBHTSA-N 1 3 370.541 2.633 20 0 FFADHO COCC[C@]1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000430726899 513734637 /nfs/dbraw/zinc/73/46/37/513734637.db2.gz WQDLQYGZJDPZHN-CZTZKLFOSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCCC[C@H]1C ZINC000430765923 513742311 /nfs/dbraw/zinc/74/23/11/513742311.db2.gz WHIOCNALFYOEHD-IAGOWNOFSA-N 1 3 356.514 2.983 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000430869776 513769896 /nfs/dbraw/zinc/76/98/96/513769896.db2.gz RCGXWPJUCKAECT-GOSISDBHSA-N 1 3 358.486 2.582 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442868138 513799924 /nfs/dbraw/zinc/79/99/24/513799924.db2.gz BPMCDUOJOZJUQO-HNNXBMFYSA-N 1 3 368.363 2.996 20 0 FFADHO CC(C)(CC[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000422559314 513844147 /nfs/dbraw/zinc/84/41/47/513844147.db2.gz RNGFTZNVZXMVMS-UHFFFAOYSA-N 1 3 350.532 2.527 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(CN2CCOCC2)c1 ZINC000422688845 513904082 /nfs/dbraw/zinc/90/40/82/513904082.db2.gz DFTBIZXQOIMKCN-GCJKJVERSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000422688845 513904086 /nfs/dbraw/zinc/90/40/86/513904086.db2.gz DFTBIZXQOIMKCN-GCJKJVERSA-N 1 3 353.510 2.567 20 0 FFADHO Cc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422712006 513907781 /nfs/dbraw/zinc/90/77/81/513907781.db2.gz NPWANLNFPREZSJ-OIBXWCBGSA-N 1 3 367.537 2.916 20 0 FFADHO Cc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422712008 513910463 /nfs/dbraw/zinc/91/04/63/513910463.db2.gz NPWANLNFPREZSJ-PTUXOGIPSA-N 1 3 367.537 2.916 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccccc2OCC2CC2)CC[NH2+]CC1 ZINC000422763990 513926251 /nfs/dbraw/zinc/92/62/51/513926251.db2.gz JMWPOALNBVXAMS-INIZCTEOSA-N 1 3 360.498 2.886 20 0 FFADHO c1cc(C[NH+]2CCCCCC2)ccc1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422777877 513929183 /nfs/dbraw/zinc/92/91/83/513929183.db2.gz GNDWTKGHYXFSKG-FCHUYYIVSA-N 1 3 357.542 2.919 20 0 FFADHO CN1CCN(c2ccc(C(F)(F)F)cc2CN[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422782493 513930647 /nfs/dbraw/zinc/93/06/47/513930647.db2.gz NERDQPFDVKBVGI-WMLDXEAASA-N 1 3 370.463 2.674 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787919 513931344 /nfs/dbraw/zinc/93/13/44/513931344.db2.gz MKCUYYLIPCEOPJ-YCPHGPKFSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787919 513931351 /nfs/dbraw/zinc/93/13/51/513931351.db2.gz MKCUYYLIPCEOPJ-YCPHGPKFSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)Oc1cccc(Br)c1 ZINC000422800021 513936085 /nfs/dbraw/zinc/93/60/85/513936085.db2.gz ZDIBZJIUAKNCCL-CZPYZCIJSA-N 1 3 357.292 2.558 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422797931 513936423 /nfs/dbraw/zinc/93/64/23/513936423.db2.gz PCVODDSSSNWGRS-UAGQMJEPSA-N 1 3 360.420 2.986 20 0 FFADHO c1ccc(CN2CCN(CCCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422831243 513946260 /nfs/dbraw/zinc/94/62/60/513946260.db2.gz JKUZIVKXWKFUJT-ZRBLBEILSA-N 1 3 370.585 2.705 20 0 FFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccccc1Br ZINC000422838290 513947010 /nfs/dbraw/zinc/94/70/10/513947010.db2.gz OBXHBPZIEMKUHZ-QVHKTLOISA-N 1 3 357.292 2.558 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422888222 513964678 /nfs/dbraw/zinc/96/46/78/513964678.db2.gz CDLCGNXEQMLKJN-XPWALMASSA-N 1 3 370.585 2.834 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901402 513971434 /nfs/dbraw/zinc/97/14/34/513971434.db2.gz BYIFBQKTMLTLCV-WITVHBPWSA-N 1 3 369.912 2.785 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901402 513971440 /nfs/dbraw/zinc/97/14/40/513971440.db2.gz BYIFBQKTMLTLCV-WITVHBPWSA-N 1 3 369.912 2.785 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422946955 513987224 /nfs/dbraw/zinc/98/72/24/513987224.db2.gz XKMIVUJXLNFXTQ-QFBILLFUSA-N 1 3 350.938 2.569 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422946955 513987233 /nfs/dbraw/zinc/98/72/33/513987233.db2.gz XKMIVUJXLNFXTQ-QFBILLFUSA-N 1 3 350.938 2.569 20 0 FFADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000416838091 513993223 /nfs/dbraw/zinc/99/32/23/513993223.db2.gz ISULOXPSLKRKDM-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO c1ccc(N2CC[C@H](N[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)nc1 ZINC000422964835 513993701 /nfs/dbraw/zinc/99/37/01/513993701.db2.gz JWDRWZHFEUWQNR-MDKPJZGXSA-N 1 3 350.466 2.506 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416841260 513995988 /nfs/dbraw/zinc/99/59/88/513995988.db2.gz LWCVLKFBOKVCSF-HKBOAZHASA-N 1 3 372.557 2.723 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000416841651 513996998 /nfs/dbraw/zinc/99/69/98/513996998.db2.gz MDMHCRKPIVTDBT-JXFKEZNVSA-N 1 3 352.482 2.780 20 0 FFADHO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(F)c(CN[C@@H]2COCC2(C)C)c1 ZINC000451813652 513997527 /nfs/dbraw/zinc/99/75/27/513997527.db2.gz RNTGVDVWKVXHSF-ZWKOTPCHSA-N 1 3 350.478 2.855 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)ncn1 ZINC000422986003 513997995 /nfs/dbraw/zinc/99/79/95/513997995.db2.gz GHZCHAAYOROCSU-FFZOFVMBSA-N 1 3 353.514 2.556 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCCCNCc2cccnc2)CCCCCC1 ZINC000416845205 513999225 /nfs/dbraw/zinc/99/92/25/513999225.db2.gz DRKLYGSUTLQJFU-UHFFFAOYSA-N 1 3 361.534 2.515 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)c1 ZINC000416850715 514001471 /nfs/dbraw/zinc/00/14/71/514001471.db2.gz KKKMHCXCQFJJBF-KPFFTGBYSA-N 1 3 374.529 2.649 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCSc3ccccc32)(N2CCOCC2)CC1 ZINC000414195108 514005970 /nfs/dbraw/zinc/00/59/70/514005970.db2.gz NQEAXEJYGMYFHL-GOSISDBHSA-N 1 3 361.555 2.610 20 0 FFADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194098 514006887 /nfs/dbraw/zinc/00/68/87/514006887.db2.gz NEYLJMRXSUBAAF-VAMGGRTRSA-N 1 3 351.579 2.833 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000416878158 514019535 /nfs/dbraw/zinc/01/95/35/514019535.db2.gz DMERMSDORIIZFC-LJQANCHMSA-N 1 3 358.530 2.668 20 0 FFADHO Cc1ccc(C[C@H](CO)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423059293 514023351 /nfs/dbraw/zinc/02/33/51/514023351.db2.gz LNSGJMUNDZIYPC-CBQOVEMMSA-N 1 3 352.478 2.744 20 0 FFADHO Cc1ccccc1C[C@H](CO)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423061737 514024734 /nfs/dbraw/zinc/02/47/34/514024734.db2.gz RNCRBNIUEXQRMB-KAGYGMCKSA-N 1 3 352.478 2.744 20 0 FFADHO OC[C@H](Cc1ccc(F)cc1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423078042 514030184 /nfs/dbraw/zinc/03/01/84/514030184.db2.gz NNAQRPPEGDCBTG-CUWPLCDZSA-N 1 3 356.441 2.575 20 0 FFADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000423080910 514032441 /nfs/dbraw/zinc/03/24/41/514032441.db2.gz TZYBGUQLJGDAKN-BZUAXINKSA-N 1 3 373.419 2.616 20 0 FFADHO [NH3+]CC1CCC(N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000423088273 514035691 /nfs/dbraw/zinc/03/56/91/514035691.db2.gz PQQDKQMOQOYXKD-PXCJXSSVSA-N 1 3 366.303 2.662 20 0 FFADHO OC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCN(Cc2ccccc2)CC1 ZINC000414300484 514038723 /nfs/dbraw/zinc/03/87/23/514038723.db2.gz JAAVJNCYURSKEL-ZCNNSNEGSA-N 1 3 356.510 2.561 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000414304433 514040909 /nfs/dbraw/zinc/04/09/09/514040909.db2.gz MJNJMNDIWLGAOG-HOJAQTOUSA-N 1 3 374.525 2.581 20 0 FFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423110182 514046175 /nfs/dbraw/zinc/04/61/75/514046175.db2.gz OSOGQFSUIUNAEO-KLHDSHLOSA-N 1 3 361.452 2.830 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1ccc(I)cc1 ZINC000423114697 514047983 /nfs/dbraw/zinc/04/79/83/514047983.db2.gz MDVXONLTWABLMD-DOMZBBRYSA-N 1 3 374.266 2.777 20 0 FFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000423114697 514047988 /nfs/dbraw/zinc/04/79/88/514047988.db2.gz MDVXONLTWABLMD-DOMZBBRYSA-N 1 3 374.266 2.777 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000423116219 514048742 /nfs/dbraw/zinc/04/87/42/514048742.db2.gz ZYRZJBBNNIJYNW-KBXIAJHMSA-N 1 3 367.563 2.964 20 0 FFADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000426819562 514049521 /nfs/dbraw/zinc/04/95/21/514049521.db2.gz IJZVEVZCMWQHEA-IRXDYDNUSA-N 1 3 354.535 2.930 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCn1cc(Br)cn1 ZINC000423123362 514050149 /nfs/dbraw/zinc/05/01/49/514050149.db2.gz LGMANYNDYGAXRW-BBRMVZONSA-N 1 3 351.292 2.584 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2nc3c(s2)CCC3)CC[NH2+]CC1 ZINC000423169673 514067806 /nfs/dbraw/zinc/06/78/06/514067806.db2.gz KAZPADHYYXGDPK-QWHCGFSZSA-N 1 3 351.516 2.604 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000416965163 514071656 /nfs/dbraw/zinc/07/16/56/514071656.db2.gz CVSHBNRDLKZBNH-KZNAEPCWSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000416965163 514071662 /nfs/dbraw/zinc/07/16/62/514071662.db2.gz CVSHBNRDLKZBNH-KZNAEPCWSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH2+][C@H]1CCN(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)C1 ZINC000416965517 514073269 /nfs/dbraw/zinc/07/32/69/514073269.db2.gz UQRISZAXNRMHOK-FQEVSTJZSA-N 1 3 366.509 2.919 20 0 FFADHO C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000420305341 514082586 /nfs/dbraw/zinc/08/25/86/514082586.db2.gz PMCDIIURTZSOFP-KRWDZBQOSA-N 1 3 373.522 2.919 20 0 FFADHO C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000420305341 514082590 /nfs/dbraw/zinc/08/25/90/514082590.db2.gz PMCDIIURTZSOFP-KRWDZBQOSA-N 1 3 373.522 2.919 20 0 FFADHO COC(=O)COC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000449129468 514083682 /nfs/dbraw/zinc/08/36/82/514083682.db2.gz VCGFPDMDFIOBBT-HNNXBMFYSA-N 1 3 368.905 2.720 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449129968 514084021 /nfs/dbraw/zinc/08/40/21/514084021.db2.gz DYFRWAIHNBKGOF-XJKSGUPXSA-N 1 3 355.448 2.954 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000416982926 514091078 /nfs/dbraw/zinc/09/10/78/514091078.db2.gz WNGBSDIFDYERLV-FQEVSTJZSA-N 1 3 360.546 2.974 20 0 FFADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420326290 514093577 /nfs/dbraw/zinc/09/35/77/514093577.db2.gz XDAYJTROMZTDCX-QRQLOZEOSA-N 1 3 361.530 2.754 20 0 FFADHO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420326293 514094327 /nfs/dbraw/zinc/09/43/27/514094327.db2.gz XDAYJTROMZTDCX-UHOSZYNNSA-N 1 3 361.530 2.754 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323204 514094811 /nfs/dbraw/zinc/09/48/11/514094811.db2.gz UBHNVWAJOKWFIO-IEBWSBKVSA-N 1 3 354.498 2.875 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323204 514094819 /nfs/dbraw/zinc/09/48/19/514094819.db2.gz UBHNVWAJOKWFIO-IEBWSBKVSA-N 1 3 354.498 2.875 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323204 514094825 /nfs/dbraw/zinc/09/48/25/514094825.db2.gz UBHNVWAJOKWFIO-IEBWSBKVSA-N 1 3 354.498 2.875 20 0 FFADHO CN1CCO[C@H]([C@@H](NCC[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000423261370 514095096 /nfs/dbraw/zinc/09/50/96/514095096.db2.gz RZVPCQUMSSJVNT-MNEFBYGVSA-N 1 3 351.922 2.691 20 0 FFADHO CC(C)[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420341133 514101526 /nfs/dbraw/zinc/10/15/26/514101526.db2.gz NTPRSKMQPFPZME-OPYAIIAOSA-N 1 3 361.505 2.961 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000420345722 514104617 /nfs/dbraw/zinc/10/46/17/514104617.db2.gz WLSOPLOERZSCCY-ROUUACIJSA-N 1 3 361.555 2.607 20 0 FFADHO c1ccc(C(OCCN2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccc2)cc1 ZINC000420348710 514105201 /nfs/dbraw/zinc/10/52/01/514105201.db2.gz MTAOBGXKGBIXBA-QFIPXVFZSA-N 1 3 365.521 2.772 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346612 514105275 /nfs/dbraw/zinc/10/52/75/514105275.db2.gz YZKAARNCYKTUIH-WNRNVDISSA-N 1 3 359.514 2.582 20 0 FFADHO Cc1c([C@@H](C)NCCCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423333709 514112637 /nfs/dbraw/zinc/11/26/37/514112637.db2.gz ODOLYNOFEKAQIT-LLVKDONJSA-N 1 3 352.280 2.728 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417008187 514113662 /nfs/dbraw/zinc/11/36/62/514113662.db2.gz IHSYDNYZSUZXOO-RTWAWAEBSA-N 1 3 366.509 2.823 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccsc1 ZINC000417013859 514119238 /nfs/dbraw/zinc/11/92/38/514119238.db2.gz YYUXJJIHKDUJSJ-RDJZCZTQSA-N 1 3 352.548 2.901 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)ccc2o1 ZINC000420384381 514120587 /nfs/dbraw/zinc/12/05/87/514120587.db2.gz RRNACUJIPWHLEC-YLJYHZDGSA-N 1 3 372.465 2.938 20 0 FFADHO COC[C@@H](NCC1(COC)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423400652 514129032 /nfs/dbraw/zinc/12/90/32/514129032.db2.gz FXDXSTLKGBKIJU-MRXNPFEDSA-N 1 3 360.420 2.999 20 0 FFADHO COCC1(CN[C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC[NH2+]CC1 ZINC000423405613 514131341 /nfs/dbraw/zinc/13/13/41/514131341.db2.gz JSAYLWGLEAAJAD-INIZCTEOSA-N 1 3 357.502 2.551 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444176566 514144871 /nfs/dbraw/zinc/14/48/71/514144871.db2.gz PYVOPOOSGPFENK-BBWFWOEESA-N 1 3 359.514 2.843 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444176566 514144877 /nfs/dbraw/zinc/14/48/77/514144877.db2.gz PYVOPOOSGPFENK-BBWFWOEESA-N 1 3 359.514 2.843 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000423549759 514167371 /nfs/dbraw/zinc/16/73/71/514167371.db2.gz IEGDVFIQBXQZTP-IAGOWNOFSA-N 1 3 355.482 2.716 20 0 FFADHO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000414555377 514177165 /nfs/dbraw/zinc/17/71/65/514177165.db2.gz MGNNGEJFGHZPHD-TZIWHRDSSA-N 1 3 373.541 2.679 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449397029 514194985 /nfs/dbraw/zinc/19/49/85/514194985.db2.gz UFWPJZOLOQBXMB-SSGKUCQKSA-N 1 3 371.569 2.724 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000449398723 514197938 /nfs/dbraw/zinc/19/79/38/514197938.db2.gz WDJVVYNUFUYBTD-DENIHFKCSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCCCN2CCO)CC1 ZINC000449398723 514197941 /nfs/dbraw/zinc/19/79/41/514197941.db2.gz WDJVVYNUFUYBTD-DENIHFKCSA-N 1 3 359.558 2.518 20 0 FFADHO CN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423715537 514210066 /nfs/dbraw/zinc/21/00/66/514210066.db2.gz UPFPPJPQQVZDGO-JOCHJYFZSA-N 1 3 363.505 2.721 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1(C)C ZINC000423737214 514214226 /nfs/dbraw/zinc/21/42/26/514214226.db2.gz DWNALCLQIXAHAM-WIYYLYMNSA-N 1 3 361.530 2.629 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417212119 514234150 /nfs/dbraw/zinc/23/41/50/514234150.db2.gz HPZIKUQSKDWMIT-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449514378 514235950 /nfs/dbraw/zinc/23/59/50/514235950.db2.gz YBODNOUPJOCECU-IRLDBZIGSA-N 1 3 357.542 2.715 20 0 FFADHO CCN1CC[C@H]([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)[C@H](C)C1 ZINC000449524693 514238909 /nfs/dbraw/zinc/23/89/09/514238909.db2.gz PBJFDUUNLWLWOO-VGSWGCGISA-N 1 3 372.557 2.929 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCCC[NH2+]C2CC2)c2ccccc2)CC1 ZINC000417219309 514239840 /nfs/dbraw/zinc/23/98/40/514239840.db2.gz VSGNOKJFVYBPEU-FQEVSTJZSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417223588 514243252 /nfs/dbraw/zinc/24/32/52/514243252.db2.gz SPFZMMRNZVLRGL-LMNJBCLMSA-N 1 3 356.514 2.607 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000414702349 514248002 /nfs/dbraw/zinc/24/80/02/514248002.db2.gz AYNGIBQEKBZUGN-HOCLYGCPSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000414702349 514248008 /nfs/dbraw/zinc/24/80/08/514248008.db2.gz AYNGIBQEKBZUGN-HOCLYGCPSA-N 1 3 369.431 2.692 20 0 FFADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000414734469 514263210 /nfs/dbraw/zinc/26/32/10/514263210.db2.gz LHDCILDJVUMADS-CABCVRRESA-N 1 3 369.431 2.851 20 0 FFADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)CC[NH2+]1 ZINC000414745149 514270000 /nfs/dbraw/zinc/27/00/00/514270000.db2.gz PCKIQYSEXBABFV-NUJGCVRESA-N 1 3 363.933 2.803 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)N(C)C)cc1 ZINC000417303030 514283578 /nfs/dbraw/zinc/28/35/78/514283578.db2.gz CYSWDWAVXFPONV-ZCNNSNEGSA-N 1 3 358.530 2.629 20 0 FFADHO Clc1sc(CNCCCN2CC[NH2+]CC2)cc1Br ZINC000414780219 514290469 /nfs/dbraw/zinc/29/04/69/514290469.db2.gz LHJZDOQHIDVYLA-UHFFFAOYSA-N 1 3 352.729 2.549 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)CCN2CCCC2)cc1 ZINC000438056488 514296080 /nfs/dbraw/zinc/29/60/80/514296080.db2.gz QTHVPCHQWXWJJG-UHFFFAOYSA-N 1 3 362.518 2.967 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1F ZINC000438090510 514304314 /nfs/dbraw/zinc/30/43/14/514304314.db2.gz BRZYGRRCCHYSRX-AWEZNQCLSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1F ZINC000438090510 514304317 /nfs/dbraw/zinc/30/43/17/514304317.db2.gz BRZYGRRCCHYSRX-AWEZNQCLSA-N 1 3 354.445 2.845 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCCC2=CC[NH2+]CC2)N2CCCC2)cc1 ZINC000417359767 514310401 /nfs/dbraw/zinc/31/04/01/514310401.db2.gz WHKRPZRHKKETIU-FQEVSTJZSA-N 1 3 356.514 2.741 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417363398 514314046 /nfs/dbraw/zinc/31/40/46/514314046.db2.gz KJIAEYICHMIJMN-JKSUJKDBSA-N 1 3 352.548 2.777 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000414833139 514315858 /nfs/dbraw/zinc/31/58/58/514315858.db2.gz RBLCHTMUTNNGEH-QWHCGFSZSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414833139 514315867 /nfs/dbraw/zinc/31/58/67/514315867.db2.gz RBLCHTMUTNNGEH-QWHCGFSZSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000417375834 514320451 /nfs/dbraw/zinc/32/04/51/514320451.db2.gz CPGGHBUOWRLJRC-KRWDZBQOSA-N 1 3 364.530 2.845 20 0 FFADHO c1c(CNCCN2CC[NH2+]CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000414867488 514331132 /nfs/dbraw/zinc/33/11/32/514331132.db2.gz OJGAZQFFUQKYTE-UHFFFAOYSA-N 1 3 361.493 2.534 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414906798 514350825 /nfs/dbraw/zinc/35/08/25/514350825.db2.gz MRWHQVGSQDTUCY-VFNWGFHPSA-N 1 3 372.513 2.732 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906798 514350836 /nfs/dbraw/zinc/35/08/36/514350836.db2.gz MRWHQVGSQDTUCY-VFNWGFHPSA-N 1 3 372.513 2.732 20 0 FFADHO Fc1cccc(Cl)c1CCCNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414964616 514377713 /nfs/dbraw/zinc/37/77/13/514377713.db2.gz DWYSETXAHWLNSJ-OAHLLOKOSA-N 1 3 367.818 2.837 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000438548250 514401074 /nfs/dbraw/zinc/40/10/74/514401074.db2.gz WFAHFFYUGFLDLF-HXUWFJFHSA-N 1 3 359.514 2.650 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000438548250 514401083 /nfs/dbraw/zinc/40/10/83/514401083.db2.gz WFAHFFYUGFLDLF-HXUWFJFHSA-N 1 3 359.514 2.650 20 0 FFADHO C[C@H](CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000424218122 514420562 /nfs/dbraw/zinc/42/05/62/514420562.db2.gz QSYSZAABANFEGZ-AYWYSENESA-N 1 3 355.526 2.745 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415069276 514427466 /nfs/dbraw/zinc/42/74/66/514427466.db2.gz OSOQWQCYROHHPA-IBGZPJMESA-N 1 3 374.554 2.636 20 0 FFADHO Cc1ccc(S(=O)(=O)CCCN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424296028 514448853 /nfs/dbraw/zinc/44/88/53/514448853.db2.gz RWULTXIFJASNML-KRWDZBQOSA-N 1 3 350.528 2.623 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1NCCCOc1cccc(I)c1 ZINC000424334665 514457907 /nfs/dbraw/zinc/45/79/07/514457907.db2.gz NUTFVPBTHDSSMX-HUUCEWRRSA-N 1 3 374.266 2.920 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000433375477 514475541 /nfs/dbraw/zinc/47/55/41/514475541.db2.gz LMIGHTPYRIIPQO-NSHGMRRFSA-N 1 3 361.530 2.685 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000439095263 514492456 /nfs/dbraw/zinc/49/24/56/514492456.db2.gz KBBPIDFPXGEKKX-WMQCIHAUSA-N 1 3 373.541 2.731 20 0 FFADHO C[N@H+](CCCNC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000433555280 514512067 /nfs/dbraw/zinc/51/20/67/514512067.db2.gz OOXFQULHXZKCIP-IBGZPJMESA-N 1 3 350.551 2.957 20 0 FFADHO C[N@@H+](CCCNC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000433555280 514512070 /nfs/dbraw/zinc/51/20/70/514512070.db2.gz OOXFQULHXZKCIP-IBGZPJMESA-N 1 3 350.551 2.957 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000439256069 514514932 /nfs/dbraw/zinc/51/49/32/514514932.db2.gz HFPVODLTZRCCPD-AQNXPRMDSA-N 1 3 356.514 2.529 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000439256069 514514943 /nfs/dbraw/zinc/51/49/43/514514943.db2.gz HFPVODLTZRCCPD-AQNXPRMDSA-N 1 3 356.514 2.529 20 0 FFADHO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCc2ccccc2C1 ZINC000475037888 514533083 /nfs/dbraw/zinc/53/30/83/514533083.db2.gz IHWBWOHZCCXVFU-VXKWHMMOSA-N 1 3 365.521 2.895 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000455463414 514538389 /nfs/dbraw/zinc/53/83/89/514538389.db2.gz YFRGJDUFFMIUHY-MNIJEXPFSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000455463414 514538398 /nfs/dbraw/zinc/53/83/98/514538398.db2.gz YFRGJDUFFMIUHY-MNIJEXPFSA-N 1 3 356.514 2.574 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)CCC[NH+]3CCCC3)c2)CC1 ZINC000439379110 514541458 /nfs/dbraw/zinc/54/14/58/514541458.db2.gz KPLBXUNAWZUDLB-UHFFFAOYSA-N 1 3 373.545 2.778 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000458122822 514577462 /nfs/dbraw/zinc/57/74/62/514577462.db2.gz ARIFCOKIRBFYGK-KRWDZBQOSA-N 1 3 358.530 2.764 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000458122822 514577466 /nfs/dbraw/zinc/57/74/66/514577466.db2.gz ARIFCOKIRBFYGK-KRWDZBQOSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000466214078 514578661 /nfs/dbraw/zinc/57/86/61/514578661.db2.gz HJFJYAXDFIUMLA-UZLBHIALSA-N 1 3 370.541 2.605 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000466214078 514578668 /nfs/dbraw/zinc/57/86/68/514578668.db2.gz HJFJYAXDFIUMLA-UZLBHIALSA-N 1 3 370.541 2.605 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466221668 514581494 /nfs/dbraw/zinc/58/14/94/514581494.db2.gz VXCNHQSYPHLPBM-UZLBHIALSA-N 1 3 358.530 2.809 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466221668 514581499 /nfs/dbraw/zinc/58/14/99/514581499.db2.gz VXCNHQSYPHLPBM-UZLBHIALSA-N 1 3 358.530 2.809 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470731451 514586616 /nfs/dbraw/zinc/58/66/16/514586616.db2.gz DWDMVTAYBQCBIZ-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470731451 514586625 /nfs/dbraw/zinc/58/66/25/514586625.db2.gz DWDMVTAYBQCBIZ-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000453374634 514614124 /nfs/dbraw/zinc/61/41/24/514614124.db2.gz ZRLTZPKVLQKNOW-DJPFJPOOSA-N 1 3 372.513 2.931 20 0 FFADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2(N)CC2)CC1 ZINC000497906991 514677100 /nfs/dbraw/zinc/67/71/00/514677100.db2.gz HFYPJQUAESKGDL-UHFFFAOYSA-N 1 3 355.404 2.620 20 0 FFADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2(N)CC2)CC1 ZINC000497906991 514677105 /nfs/dbraw/zinc/67/71/05/514677105.db2.gz HFYPJQUAESKGDL-UHFFFAOYSA-N 1 3 355.404 2.620 20 0 FFADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)C(C)C ZINC000508167692 514691483 /nfs/dbraw/zinc/69/14/83/514691483.db2.gz ZCBUMXIKRAWQRF-FQEVSTJZSA-N 1 3 362.562 2.920 20 0 FFADHO CCCC[C@@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000498081999 514753960 /nfs/dbraw/zinc/75/39/60/514753960.db2.gz IYLSKBKRAJYZTF-GOSISDBHSA-N 1 3 360.502 2.957 20 0 FFADHO C[C@H](CNC(=O)NCc1ccc(CC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000466773561 514765840 /nfs/dbraw/zinc/76/58/40/514765840.db2.gz BXRIPOUYUZYBPK-GOSISDBHSA-N 1 3 360.546 2.710 20 0 FFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000498112192 514765821 /nfs/dbraw/zinc/76/58/21/514765821.db2.gz RMIZKWBNTKIDIH-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccnn1C(C)(C)C ZINC000484773896 514792723 /nfs/dbraw/zinc/79/27/23/514792723.db2.gz BSYYJFJNPJPQJQ-INIZCTEOSA-N 1 3 364.538 2.518 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccnn1C(C)(C)C ZINC000484773896 514792733 /nfs/dbraw/zinc/79/27/33/514792733.db2.gz BSYYJFJNPJPQJQ-INIZCTEOSA-N 1 3 364.538 2.518 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000489488105 514868260 /nfs/dbraw/zinc/86/82/60/514868260.db2.gz WEULXEBWBUZEFB-CBQOVEMMSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000489488105 514868272 /nfs/dbraw/zinc/86/82/72/514868272.db2.gz WEULXEBWBUZEFB-CBQOVEMMSA-N 1 3 370.541 2.634 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458580934 514921865 /nfs/dbraw/zinc/92/18/65/514921865.db2.gz ROWSFNSFQZSELT-ICSRJNTNSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458580934 514921877 /nfs/dbraw/zinc/92/18/77/514921877.db2.gz ROWSFNSFQZSELT-ICSRJNTNSA-N 1 3 350.551 2.624 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N2CC[N@H+](C)CC[C@H]2C)N2CCCC2)c1 ZINC000503159106 514938098 /nfs/dbraw/zinc/93/80/98/514938098.db2.gz WBQLRGQGOZVRIT-YLJYHZDGSA-N 1 3 374.529 2.568 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)N2CCCC2)c1 ZINC000503159106 514938110 /nfs/dbraw/zinc/93/81/10/514938110.db2.gz WBQLRGQGOZVRIT-YLJYHZDGSA-N 1 3 374.529 2.568 20 0 FFADHO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000508896320 514943559 /nfs/dbraw/zinc/94/35/59/514943559.db2.gz MGOSBZMFEXBXOZ-BWPNAZKDSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508908766 514951068 /nfs/dbraw/zinc/95/10/68/514951068.db2.gz TWRWEYUJWDABBN-PXNSSMCTSA-N 1 3 358.530 2.948 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476231335 514958675 /nfs/dbraw/zinc/95/86/75/514958675.db2.gz LNTXKZRJCJGLBY-HXUWFJFHSA-N 1 3 370.541 2.701 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476231335 514958679 /nfs/dbraw/zinc/95/86/79/514958679.db2.gz LNTXKZRJCJGLBY-HXUWFJFHSA-N 1 3 370.541 2.701 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458630064 514971905 /nfs/dbraw/zinc/97/19/05/514971905.db2.gz ZMHNEJINKDEOIT-NQIIRXRSSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458630064 514971917 /nfs/dbraw/zinc/97/19/17/514971917.db2.gz ZMHNEJINKDEOIT-NQIIRXRSSA-N 1 3 358.530 2.634 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000458643404 514983892 /nfs/dbraw/zinc/98/38/92/514983892.db2.gz JPYADNNQYAKIKK-JLSDUUJJSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000458643404 514983901 /nfs/dbraw/zinc/98/39/01/514983901.db2.gz JPYADNNQYAKIKK-JLSDUUJJSA-N 1 3 364.559 2.793 20 0 FFADHO COc1cc(NC(=O)CCN2CCCC[C@H]2CC[NH3+])c(OC)cc1Cl ZINC000489823627 514988782 /nfs/dbraw/zinc/98/87/82/514988782.db2.gz HKGZOLHJRLLTCS-ZDUSSCGKSA-N 1 3 369.893 2.889 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489828626 514992178 /nfs/dbraw/zinc/99/21/78/514992178.db2.gz IDEJFCZKSPVWPO-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000489855325 515000203 /nfs/dbraw/zinc/00/02/03/515000203.db2.gz ITWDHVBVNAIJHC-UIFIKXQLSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000489855325 515000215 /nfs/dbraw/zinc/00/02/15/515000215.db2.gz ITWDHVBVNAIJHC-UIFIKXQLSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489893124 515018861 /nfs/dbraw/zinc/01/88/61/515018861.db2.gz YGZDJDMXFPZFPL-QEUVDIPISA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489893124 515018870 /nfs/dbraw/zinc/01/88/70/515018870.db2.gz YGZDJDMXFPZFPL-QEUVDIPISA-N 1 3 372.557 2.879 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471850555 515032359 /nfs/dbraw/zinc/03/23/59/515032359.db2.gz ZPKGHYAITFDXRR-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CC(C)(CNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000485469055 515052600 /nfs/dbraw/zinc/05/26/00/515052600.db2.gz UXNCSWYFRGPWQR-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000472000541 515081321 /nfs/dbraw/zinc/08/13/21/515081321.db2.gz UXMOFOUFIRAHHK-GGPKGHCWSA-N 1 3 360.546 2.927 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467753153 515103680 /nfs/dbraw/zinc/10/36/80/515103680.db2.gz JDOGCLXUSADAJQ-IEBWSBKVSA-N 1 3 363.571 2.841 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000458876180 515165231 /nfs/dbraw/zinc/16/52/31/515165231.db2.gz ADLILIOWFMHSSO-WMZOPIPTSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000468041891 515205933 /nfs/dbraw/zinc/20/59/33/515205933.db2.gz VOQQAIHJMVMGSR-FGTMMUONSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000468041891 515205944 /nfs/dbraw/zinc/20/59/44/515205944.db2.gz VOQQAIHJMVMGSR-FGTMMUONSA-N 1 3 352.567 2.869 20 0 FFADHO CN(C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCN(C2CC2)C1 ZINC000458969290 515236031 /nfs/dbraw/zinc/23/60/31/515236031.db2.gz IETGERVIDOKPBO-HXUWFJFHSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCN(C2CC2)C1 ZINC000458969290 515236043 /nfs/dbraw/zinc/23/60/43/515236043.db2.gz IETGERVIDOKPBO-HXUWFJFHSA-N 1 3 370.541 2.919 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccco1 ZINC000509571001 515238637 /nfs/dbraw/zinc/23/86/37/515238637.db2.gz RILDNZOEJMGUHE-RDJZCZTQSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccco1 ZINC000509575045 515239076 /nfs/dbraw/zinc/23/90/76/515239076.db2.gz UWBBMTASFBZTPD-MLHJIOFPSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccco1 ZINC000509575045 515239081 /nfs/dbraw/zinc/23/90/81/515239081.db2.gz UWBBMTASFBZTPD-MLHJIOFPSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccco1 ZINC000509583350 515244220 /nfs/dbraw/zinc/24/42/20/515244220.db2.gz JUWHFMRDLVUUAH-NVXWUHKLSA-N 1 3 350.507 2.692 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCC1 ZINC000458982689 515247543 /nfs/dbraw/zinc/24/75/43/515247543.db2.gz VEEAXZJCJVALOV-HXUWFJFHSA-N 1 3 368.525 2.697 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCC1 ZINC000458982689 515247556 /nfs/dbraw/zinc/24/75/56/515247556.db2.gz VEEAXZJCJVALOV-HXUWFJFHSA-N 1 3 368.525 2.697 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccco1 ZINC000509594559 515249555 /nfs/dbraw/zinc/24/95/55/515249555.db2.gz FNZMFRUPSWAHRO-HZPDHXFCSA-N 1 3 350.507 2.835 20 0 FFADHO C[NH+](C)CCOCCNCc1ccc(OC(F)F)c(Br)c1 ZINC000499240382 515252130 /nfs/dbraw/zinc/25/21/30/515252130.db2.gz WGBZXNSQXUQYFN-UHFFFAOYSA-N 1 3 367.234 2.718 20 0 FFADHO C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490650203 515272636 /nfs/dbraw/zinc/27/26/36/515272636.db2.gz PQUVKFSHSMAOFE-MAUKXSAKSA-N 1 3 353.457 2.746 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490650203 515272644 /nfs/dbraw/zinc/27/26/44/515272644.db2.gz PQUVKFSHSMAOFE-MAUKXSAKSA-N 1 3 353.457 2.746 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000499310527 515278726 /nfs/dbraw/zinc/27/87/26/515278726.db2.gz GIKZBJGKWZSGLP-YJBOKZPZSA-N 1 3 364.534 2.573 20 0 FFADHO CC(C)[NH+](CCN(C)C(=O)CCN1CCN(c2ccccc2)CC1)C(C)C ZINC000509722369 515301655 /nfs/dbraw/zinc/30/16/55/515301655.db2.gz RHFOSGKQPWQMSP-UHFFFAOYSA-N 1 3 374.573 2.776 20 0 FFADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000472566741 515315487 /nfs/dbraw/zinc/31/54/87/515315487.db2.gz RSBPCEPRCNCRSV-HZPDHXFCSA-N 1 3 363.468 2.984 20 0 FFADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000472566741 515315491 /nfs/dbraw/zinc/31/54/91/515315491.db2.gz RSBPCEPRCNCRSV-HZPDHXFCSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000463020497 515336554 /nfs/dbraw/zinc/33/65/54/515336554.db2.gz MQDGZANMCOSWNX-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000454247053 515336911 /nfs/dbraw/zinc/33/69/11/515336911.db2.gz DBJHZERYEMAFFU-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000454247053 515336922 /nfs/dbraw/zinc/33/69/22/515336922.db2.gz DBJHZERYEMAFFU-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000454276355 515360548 /nfs/dbraw/zinc/36/05/48/515360548.db2.gz YDKNCNMBNCEDEJ-LEWJYISDSA-N 1 3 370.541 2.764 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000504778527 515373019 /nfs/dbraw/zinc/37/30/19/515373019.db2.gz KSKKJIJYRKJIRK-UHFFFAOYSA-N 1 3 372.557 2.807 20 0 FFADHO CC(C)CN1CCO[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000463140425 515378767 /nfs/dbraw/zinc/37/87/67/515378767.db2.gz HFGAUHQNVQIPQT-QFIPXVFZSA-N 1 3 359.558 2.640 20 0 FFADHO CC(C)CN1CCO[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000463140425 515378774 /nfs/dbraw/zinc/37/87/74/515378774.db2.gz HFGAUHQNVQIPQT-QFIPXVFZSA-N 1 3 359.558 2.640 20 0 FFADHO CC[C@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[NH+](CC)CC ZINC000468490151 515386562 /nfs/dbraw/zinc/38/65/62/515386562.db2.gz VQNCROZEIUAWCZ-RTWAWAEBSA-N 1 3 374.573 2.602 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456793998 515427075 /nfs/dbraw/zinc/42/70/75/515427075.db2.gz QUIKDMXBESYFQK-CJNGLKHVSA-N 1 3 365.905 2.949 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456793998 515427083 /nfs/dbraw/zinc/42/70/83/515427083.db2.gz QUIKDMXBESYFQK-CJNGLKHVSA-N 1 3 365.905 2.949 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000459263267 515430333 /nfs/dbraw/zinc/43/03/33/515430333.db2.gz MGEXRUKURNCSFD-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000459263267 515430342 /nfs/dbraw/zinc/43/03/42/515430342.db2.gz MGEXRUKURNCSFD-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000454360097 515430756 /nfs/dbraw/zinc/43/07/56/515430756.db2.gz TYZZEBIYJPTBKO-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459269784 515434884 /nfs/dbraw/zinc/43/48/84/515434884.db2.gz UOZSAHFTAAIJJW-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459269784 515434892 /nfs/dbraw/zinc/43/48/92/515434892.db2.gz UOZSAHFTAAIJJW-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CCNC(=O)NCCN1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000472965649 515460715 /nfs/dbraw/zinc/46/07/15/515460715.db2.gz HOCPPSCVYONMEN-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](CCNC(=O)NCCN1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000472965649 515460722 /nfs/dbraw/zinc/46/07/22/515460722.db2.gz HOCPPSCVYONMEN-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000510292067 515495769 /nfs/dbraw/zinc/49/57/69/515495769.db2.gz ZGAQKLKJGDQYMH-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000510292067 515495776 /nfs/dbraw/zinc/49/57/76/515495776.db2.gz ZGAQKLKJGDQYMH-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000468741656 515498045 /nfs/dbraw/zinc/49/80/45/515498045.db2.gz CFQGVAUHJNQJHM-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000510403956 515529248 /nfs/dbraw/zinc/52/92/48/515529248.db2.gz XVKDRPOQYXWDHH-RTBURBONSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000510403956 515529258 /nfs/dbraw/zinc/52/92/58/515529258.db2.gz XVKDRPOQYXWDHH-RTBURBONSA-N 1 3 372.557 2.679 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000473270081 515557721 /nfs/dbraw/zinc/55/77/21/515557721.db2.gz PEBZJVHZXCAMCS-RTWAWAEBSA-N 1 3 374.573 2.648 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000505551699 515581719 /nfs/dbraw/zinc/58/17/19/515581719.db2.gz WXPJWWTVMCVQNO-IFMALSPDSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000505551699 515581727 /nfs/dbraw/zinc/58/17/27/515581727.db2.gz WXPJWWTVMCVQNO-IFMALSPDSA-N 1 3 355.526 2.843 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC(C)(C)C[NH+]3CCCC3)cc2)CC1 ZINC000457062083 515618038 /nfs/dbraw/zinc/61/80/38/515618038.db2.gz ZWZVWBPNHHBJLL-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000469037084 515640115 /nfs/dbraw/zinc/64/01/15/515640115.db2.gz QNMACYLMDSMBTQ-SFHVURJKSA-N 1 3 360.502 2.698 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477952038 515649865 /nfs/dbraw/zinc/64/98/65/515649865.db2.gz OWOAPRIBNBZJSW-UHFFFAOYSA-N 1 3 355.526 2.891 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000457120245 515665645 /nfs/dbraw/zinc/66/56/45/515665645.db2.gz OAQXMIZOCTWXMN-OAQYLSRUSA-N 1 3 372.557 2.530 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000457120245 515665656 /nfs/dbraw/zinc/66/56/56/515665656.db2.gz OAQXMIZOCTWXMN-OAQYLSRUSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000493809179 515666007 /nfs/dbraw/zinc/66/60/07/515666007.db2.gz LDYHUTNWQXWVCL-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000493809179 515666016 /nfs/dbraw/zinc/66/60/16/515666016.db2.gz LDYHUTNWQXWVCL-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)CC2 ZINC000493934082 515691305 /nfs/dbraw/zinc/69/13/05/515691305.db2.gz FTJISFZLJQQEBI-CVEARBPZSA-N 1 3 353.304 2.791 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Br)cs1 ZINC000493974419 515702984 /nfs/dbraw/zinc/70/29/84/515702984.db2.gz BFSPJWTYZRPMIM-RYUDHWBXSA-N 1 3 374.348 2.749 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000464079108 515705391 /nfs/dbraw/zinc/70/53/91/515705391.db2.gz XGGJQILZSXOWSP-HMXCVIKNSA-N 1 3 373.541 2.663 20 0 FFADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459676258 515739066 /nfs/dbraw/zinc/73/90/66/515739066.db2.gz NHGBOTMEOPAZDI-SFTDATJTSA-N 1 3 355.526 2.998 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000511013579 515746065 /nfs/dbraw/zinc/74/60/65/515746065.db2.gz MCZXQFGQNYQYID-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000511013579 515746074 /nfs/dbraw/zinc/74/60/74/515746074.db2.gz MCZXQFGQNYQYID-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)[C@H](C)C1 ZINC000482647814 515751070 /nfs/dbraw/zinc/75/10/70/515751070.db2.gz CENJCYAOEJBALZ-UYAOXDASSA-N 1 3 369.594 2.602 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506017640 515751265 /nfs/dbraw/zinc/75/12/65/515751265.db2.gz SXGFPHWFMSHCKE-QZTJIDSGSA-N 1 3 365.468 2.744 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506017640 515751275 /nfs/dbraw/zinc/75/12/75/515751275.db2.gz SXGFPHWFMSHCKE-QZTJIDSGSA-N 1 3 365.468 2.744 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000500547798 515762815 /nfs/dbraw/zinc/76/28/15/515762815.db2.gz YZSPALZGUWGRKL-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(OCCN(C)C)c1 ZINC000454832446 515775095 /nfs/dbraw/zinc/77/50/95/515775095.db2.gz GREIQIMFKGALLW-NRFANRHFSA-N 1 3 374.529 2.885 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(OCCN(C)C)c1 ZINC000454832446 515775101 /nfs/dbraw/zinc/77/51/01/515775101.db2.gz GREIQIMFKGALLW-NRFANRHFSA-N 1 3 374.529 2.885 20 0 FFADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000473936668 515808848 /nfs/dbraw/zinc/80/88/48/515808848.db2.gz KIZYRYAGXAZLQV-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000473936668 515808858 /nfs/dbraw/zinc/80/88/58/515808858.db2.gz KIZYRYAGXAZLQV-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1F ZINC000478411835 515812527 /nfs/dbraw/zinc/81/25/27/515812527.db2.gz NMETXUKTFPPXQP-OAHLLOKOSA-N 1 3 357.901 2.520 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511174724 515815693 /nfs/dbraw/zinc/81/56/93/515815693.db2.gz RIWFDAAKOYVWNG-GOSISDBHSA-N 1 3 365.468 2.698 20 0 FFADHO CN(c1ccccc1C[NH2+][C@H]1CCn2ccnc2C1)C1CCN(C)CC1 ZINC000494402905 515833683 /nfs/dbraw/zinc/83/36/83/515833683.db2.gz GLOXXMDWFRVBEF-SFHVURJKSA-N 1 3 353.514 2.518 20 0 FFADHO CC[NH+](CC)CCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000457408996 515855040 /nfs/dbraw/zinc/85/50/40/515855040.db2.gz PODJREJCNSFNTM-QGZVFWFLSA-N 1 3 352.548 2.652 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H](C)C1 ZINC000487516144 515885933 /nfs/dbraw/zinc/88/59/33/515885933.db2.gz FQAKDQMZXKNICJ-ZOBUZTSGSA-N 1 3 350.551 2.667 20 0 FFADHO C[C@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN(C2CCC2)C1 ZINC000487519431 515888677 /nfs/dbraw/zinc/88/86/77/515888677.db2.gz LGXRUDVWAPEQIV-OAHLLOKOSA-N 1 3 350.551 2.811 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)C2)C1 ZINC000457518387 515936553 /nfs/dbraw/zinc/93/65/53/515936553.db2.gz SRTGQRROCIQLFI-NRFANRHFSA-N 1 3 358.530 2.636 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)C2)C1 ZINC000457518387 515936563 /nfs/dbraw/zinc/93/65/63/515936563.db2.gz SRTGQRROCIQLFI-NRFANRHFSA-N 1 3 358.530 2.636 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000506656611 515946129 /nfs/dbraw/zinc/94/61/29/515946129.db2.gz VJRRZSRRKCUFJK-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000506656611 515946140 /nfs/dbraw/zinc/94/61/40/515946140.db2.gz VJRRZSRRKCUFJK-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000469794140 515970205 /nfs/dbraw/zinc/97/02/05/515970205.db2.gz MXZZOYUSNMIYMT-YOEHRIQHSA-N 1 3 355.910 2.970 20 0 FFADHO Cc1cccc(CNC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501082580 515970406 /nfs/dbraw/zinc/97/04/06/515970406.db2.gz RLKYOAGIEGESFE-UHFFFAOYSA-N 1 3 366.509 2.855 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000478823414 515975216 /nfs/dbraw/zinc/97/52/16/515975216.db2.gz BBOJXCPKBHJFMO-NRFANRHFSA-N 1 3 372.557 2.867 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000478823414 515975221 /nfs/dbraw/zinc/97/52/21/515975221.db2.gz BBOJXCPKBHJFMO-NRFANRHFSA-N 1 3 372.557 2.867 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCCCC[N@H+](C)C3CC3)c2)CC1 ZINC000455156974 516001852 /nfs/dbraw/zinc/00/18/52/516001852.db2.gz MQJNSNPYMLWZJQ-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCCCC[N@@H+](C)C3CC3)c2)CC1 ZINC000455156974 516001863 /nfs/dbraw/zinc/00/18/63/516001863.db2.gz MQJNSNPYMLWZJQ-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@@H](C)C1 ZINC000487860008 516011895 /nfs/dbraw/zinc/01/18/95/516011895.db2.gz ODAOLLAJBLTJJI-XUVXKRRUSA-N 1 3 364.578 2.870 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000455189558 516024645 /nfs/dbraw/zinc/02/46/45/516024645.db2.gz JLYGTNLJUUUMON-MOPGFXCFSA-N 1 3 352.567 2.870 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000455189558 516024655 /nfs/dbraw/zinc/02/46/55/516024655.db2.gz JLYGTNLJUUUMON-MOPGFXCFSA-N 1 3 352.567 2.870 20 0 FFADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460120288 516032311 /nfs/dbraw/zinc/03/23/11/516032311.db2.gz FPILNYOZDIZRMK-HBMCJLEFSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460120288 516032321 /nfs/dbraw/zinc/03/23/21/516032321.db2.gz FPILNYOZDIZRMK-HBMCJLEFSA-N 1 3 370.541 2.634 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1csc(C)n1 ZINC000495120600 516073112 /nfs/dbraw/zinc/07/31/12/516073112.db2.gz NNRPDJIMXHZKLW-SFHVURJKSA-N 1 3 366.575 2.649 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1csc(C)n1 ZINC000495120600 516073122 /nfs/dbraw/zinc/07/31/22/516073122.db2.gz NNRPDJIMXHZKLW-SFHVURJKSA-N 1 3 366.575 2.649 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000511920198 516079176 /nfs/dbraw/zinc/07/91/76/516079176.db2.gz BXKNXHIBABOHNK-SFHVURJKSA-N 1 3 364.509 2.773 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000511920198 516079188 /nfs/dbraw/zinc/07/91/88/516079188.db2.gz BXKNXHIBABOHNK-SFHVURJKSA-N 1 3 364.509 2.773 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000457713446 516089976 /nfs/dbraw/zinc/08/99/76/516089976.db2.gz PRCGMUMDMDBGOA-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)C2)C1 ZINC000488045880 516094991 /nfs/dbraw/zinc/09/49/91/516094991.db2.gz SDXVIHPTFASDKJ-JOCHJYFZSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)C2)C1 ZINC000488045880 516094998 /nfs/dbraw/zinc/09/49/98/516094998.db2.gz SDXVIHPTFASDKJ-JOCHJYFZSA-N 1 3 370.541 2.561 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000455327979 516123098 /nfs/dbraw/zinc/12/30/98/516123098.db2.gz IHWKAURUYVFULP-UXHICEINSA-N 1 3 370.541 2.967 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000455327979 516123105 /nfs/dbraw/zinc/12/31/05/516123105.db2.gz IHWKAURUYVFULP-UXHICEINSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000501506767 516131189 /nfs/dbraw/zinc/13/11/89/516131189.db2.gz UKXQFBQWAFYTDG-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000495303442 516133314 /nfs/dbraw/zinc/13/33/14/516133314.db2.gz KGSJCRXFUVTCCU-SFHVURJKSA-N 1 3 361.530 2.869 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474646854 516137339 /nfs/dbraw/zinc/13/73/39/516137339.db2.gz XQNOEZFQQAVSRN-VWEINGBSSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1CCCC[C@H]1C ZINC000501533007 516141846 /nfs/dbraw/zinc/14/18/46/516141846.db2.gz PLZXSHHTSCIUFH-RTBURBONSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@H+]1CCCC[C@H]1C ZINC000501533007 516141852 /nfs/dbraw/zinc/14/18/52/516141852.db2.gz PLZXSHHTSCIUFH-RTBURBONSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000488168780 516143733 /nfs/dbraw/zinc/14/37/33/516143733.db2.gz ZFQRBKCHCJFJQM-SQGPQFPESA-N 1 3 358.530 2.620 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479351121 516160028 /nfs/dbraw/zinc/16/00/28/516160028.db2.gz OKRFZFIZXIRSBO-NQIIRXRSSA-N 1 3 367.541 2.865 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000465524982 516179422 /nfs/dbraw/zinc/17/94/22/516179422.db2.gz MZMXJWQOKOAUCT-PMACEKPBSA-N 1 3 360.546 2.723 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000465623644 516213300 /nfs/dbraw/zinc/21/33/00/516213300.db2.gz DRVICIUIOHPXKD-SJLPKXTDSA-N 1 3 364.559 2.916 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000512289755 516227527 /nfs/dbraw/zinc/22/75/27/516227527.db2.gz USZLEQSMHMMEJS-IZBOUPIGSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000512289755 516227532 /nfs/dbraw/zinc/22/75/32/516227532.db2.gz USZLEQSMHMMEJS-IZBOUPIGSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000512289755 516227540 /nfs/dbraw/zinc/22/75/40/516227540.db2.gz USZLEQSMHMMEJS-IZBOUPIGSA-N 1 3 369.553 2.740 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000465691347 516229763 /nfs/dbraw/zinc/22/97/63/516229763.db2.gz LTWGDWSGCVVJLO-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000465701468 516232723 /nfs/dbraw/zinc/23/27/23/516232723.db2.gz YJGYCQYVGCSCAA-HXUWFJFHSA-N 1 3 372.557 2.949 20 0 FFADHO C[NH+](C)CCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311649 516234164 /nfs/dbraw/zinc/23/41/64/516234164.db2.gz CMQKKKRVUCMFDC-QGZVFWFLSA-N 1 3 353.457 2.602 20 0 FFADHO CCNC(=O)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000488479332 516236231 /nfs/dbraw/zinc/23/62/31/516236231.db2.gz AZBIIJYMFUFYFO-HSALFYBXSA-N 1 3 355.526 2.793 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465743476 516245060 /nfs/dbraw/zinc/24/50/60/516245060.db2.gz BZHRJWPGUOUQJU-ZWKOTPCHSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465743476 516245066 /nfs/dbraw/zinc/24/50/66/516245066.db2.gz BZHRJWPGUOUQJU-ZWKOTPCHSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCC(C)CC1 ZINC000488540947 516253343 /nfs/dbraw/zinc/25/33/43/516253343.db2.gz WNBLBVZAGZNKKN-ROUUACIJSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCC(C)CC1 ZINC000488540947 516253350 /nfs/dbraw/zinc/25/33/50/516253350.db2.gz WNBLBVZAGZNKKN-ROUUACIJSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000465767201 516253634 /nfs/dbraw/zinc/25/36/34/516253634.db2.gz YXJZKJORHDCDLG-MDNKFWRPSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000465767201 516253639 /nfs/dbraw/zinc/25/36/39/516253639.db2.gz YXJZKJORHDCDLG-MDNKFWRPSA-N 1 3 356.514 2.700 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000496646860 516273366 /nfs/dbraw/zinc/27/33/66/516273366.db2.gz DIXAMVACXJFQSX-ROUUACIJSA-N 1 3 350.482 2.602 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000496646860 516273369 /nfs/dbraw/zinc/27/33/69/516273369.db2.gz DIXAMVACXJFQSX-ROUUACIJSA-N 1 3 350.482 2.602 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000496646859 516273760 /nfs/dbraw/zinc/27/37/60/516273760.db2.gz DIXAMVACXJFQSX-QZTJIDSGSA-N 1 3 350.482 2.602 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000496646859 516273765 /nfs/dbraw/zinc/27/37/65/516273765.db2.gz DIXAMVACXJFQSX-QZTJIDSGSA-N 1 3 350.482 2.602 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1C ZINC000465869190 516274644 /nfs/dbraw/zinc/27/46/44/516274644.db2.gz FHGIUQIQLXPUBH-HHXCZETCSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C ZINC000465869190 516274651 /nfs/dbraw/zinc/27/46/51/516274651.db2.gz FHGIUQIQLXPUBH-HHXCZETCSA-N 1 3 370.541 2.964 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCc2ccccc21 ZINC000465873550 516276193 /nfs/dbraw/zinc/27/61/93/516276193.db2.gz JQHIWDRVPVGKSX-WOJBJXKFSA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCc2ccccc21 ZINC000465873550 516276201 /nfs/dbraw/zinc/27/62/01/516276201.db2.gz JQHIWDRVPVGKSX-WOJBJXKFSA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000465881497 516279562 /nfs/dbraw/zinc/27/95/62/516279562.db2.gz UEZCTFWRBABRFN-FBBABVLZSA-N 1 3 372.557 2.977 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000465881497 516279566 /nfs/dbraw/zinc/27/95/66/516279566.db2.gz UEZCTFWRBABRFN-FBBABVLZSA-N 1 3 372.557 2.977 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000497620780 516328116 /nfs/dbraw/zinc/32/81/16/516328116.db2.gz HXKZPRZUBZXGNF-YLJYHZDGSA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000497620780 516328117 /nfs/dbraw/zinc/32/81/17/516328117.db2.gz HXKZPRZUBZXGNF-YLJYHZDGSA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC1 ZINC000543624444 516336110 /nfs/dbraw/zinc/33/61/10/516336110.db2.gz YVQVNRWNGPGAOX-HNNXBMFYSA-N 1 3 351.922 2.837 20 0 FFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000517534431 516353499 /nfs/dbraw/zinc/35/34/99/516353499.db2.gz UBXRTJCXRMGHFF-PZJWPPBQSA-N 1 3 368.481 2.987 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000554332231 516392595 /nfs/dbraw/zinc/39/25/95/516392595.db2.gz VDUDKBGOYULTBE-HXUWFJFHSA-N 1 3 359.514 2.652 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(Cl)cc1 ZINC000531318460 516404046 /nfs/dbraw/zinc/40/40/46/516404046.db2.gz NFZYZHXXNIEHLJ-ROUUACIJSA-N 1 3 362.905 2.598 20 0 FFADHO C[C@@]1(CNC(=O)NCC2CCN(Cc3cccs3)CC2)CCC[NH2+]C1 ZINC000561151538 516409918 /nfs/dbraw/zinc/40/99/18/516409918.db2.gz XSBXWTRMYFEVMO-LJQANCHMSA-N 1 3 364.559 2.649 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000561151125 516410296 /nfs/dbraw/zinc/41/02/96/516410296.db2.gz ARNSVSVNIBYOAU-BBWFWOEESA-N 1 3 364.559 2.729 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000517701948 516416010 /nfs/dbraw/zinc/41/60/10/516416010.db2.gz BRZDCHOWZQKQEV-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CN(CCC2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C[C@H](C)O1 ZINC000517753593 516437630 /nfs/dbraw/zinc/43/76/30/516437630.db2.gz MHBDLZDEBCJOCY-ROUUACIJSA-N 1 3 373.541 2.539 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1CC[NH2+]CC1 ZINC000561204480 516450411 /nfs/dbraw/zinc/45/04/11/516450411.db2.gz XYMSTQBKGHVVDC-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO Cc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)c(-c2ccnn2C)c1 ZINC000517967272 516508580 /nfs/dbraw/zinc/50/85/80/516508580.db2.gz JQECLOLFOIZCFM-UHFFFAOYSA-N 1 3 355.530 2.511 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[C@@H]1[NH3+] ZINC000518132022 516557722 /nfs/dbraw/zinc/55/77/22/516557722.db2.gz NRZAMGNOZFUZFL-APWZRJJASA-N 1 3 360.502 2.752 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000531685645 516596620 /nfs/dbraw/zinc/59/66/20/516596620.db2.gz GBYDBJUVANWKHD-KRWDZBQOSA-N 1 3 358.530 2.640 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)c1 ZINC000528716142 516640371 /nfs/dbraw/zinc/64/03/71/516640371.db2.gz PULVCALGRCJESR-UHFFFAOYSA-N 1 3 368.481 2.942 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)c1 ZINC000528716142 516640379 /nfs/dbraw/zinc/64/03/79/516640379.db2.gz PULVCALGRCJESR-UHFFFAOYSA-N 1 3 368.481 2.942 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719555 516643879 /nfs/dbraw/zinc/64/38/79/516643879.db2.gz JKTYORBWZPXBOR-GOSISDBHSA-N 1 3 360.502 2.945 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719555 516643882 /nfs/dbraw/zinc/64/38/82/516643882.db2.gz JKTYORBWZPXBOR-GOSISDBHSA-N 1 3 360.502 2.945 20 0 FFADHO CC1CCN(CCNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000518403387 516647358 /nfs/dbraw/zinc/64/73/58/516647358.db2.gz MGLRUZIDVYRCBT-ROUUACIJSA-N 1 3 352.567 2.774 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000524265223 516681988 /nfs/dbraw/zinc/68/19/88/516681988.db2.gz PCGARJDTQJDCCX-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000524265223 516681994 /nfs/dbraw/zinc/68/19/94/516681994.db2.gz PCGARJDTQJDCCX-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548060839 516734947 /nfs/dbraw/zinc/73/49/47/516734947.db2.gz RULQDMBSMGECAR-UHFFFAOYSA-N 1 3 353.551 2.647 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548060839 516734955 /nfs/dbraw/zinc/73/49/55/516734955.db2.gz RULQDMBSMGECAR-UHFFFAOYSA-N 1 3 353.551 2.647 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1c(C)noc1C ZINC000513820004 516768635 /nfs/dbraw/zinc/76/86/35/516768635.db2.gz IDEFEOXQVBRZHH-MAUKXSAKSA-N 1 3 364.534 2.660 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1c(C)noc1C ZINC000513820004 516768643 /nfs/dbraw/zinc/76/86/43/516768643.db2.gz IDEFEOXQVBRZHH-MAUKXSAKSA-N 1 3 364.534 2.660 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000555075376 516769889 /nfs/dbraw/zinc/76/98/89/516769889.db2.gz YVHWHERYDZFDBC-CRAIPNDOSA-N 1 3 366.937 2.974 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(Cl)c1Cl ZINC000524627377 516771716 /nfs/dbraw/zinc/77/17/16/516771716.db2.gz XHSHJSRERFYMMU-UHFFFAOYSA-N 1 3 361.317 2.628 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000528916606 516792705 /nfs/dbraw/zinc/79/27/05/516792705.db2.gz VIFAIUOMOJXXFA-SFHVURJKSA-N 1 3 360.502 2.765 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000544626673 516843975 /nfs/dbraw/zinc/84/39/75/516843975.db2.gz RFJSAVZAAYXOLZ-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000514168218 516887338 /nfs/dbraw/zinc/88/73/38/516887338.db2.gz WDBAHZHWOSRSES-XLIONFOSSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000514202377 516902523 /nfs/dbraw/zinc/90/25/23/516902523.db2.gz WKVXGKAPECYOOB-JTJHWIPRSA-N 1 3 374.573 2.825 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000514202377 516902530 /nfs/dbraw/zinc/90/25/30/516902530.db2.gz WKVXGKAPECYOOB-JTJHWIPRSA-N 1 3 374.573 2.825 20 0 FFADHO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525310765 517005707 /nfs/dbraw/zinc/00/57/07/517005707.db2.gz NFFREXCLARUVJW-LJQANCHMSA-N 1 3 366.525 2.528 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCCN3C3CC3)C2)s1 ZINC000552004049 517020247 /nfs/dbraw/zinc/02/02/47/517020247.db2.gz OAAWHXYBGOBUDW-VQIMIIECSA-N 1 3 361.555 2.964 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCCN3C3CC3)C2)s1 ZINC000552004049 517020258 /nfs/dbraw/zinc/02/02/58/517020258.db2.gz OAAWHXYBGOBUDW-VQIMIIECSA-N 1 3 361.555 2.964 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000532540405 517026910 /nfs/dbraw/zinc/02/69/10/517026910.db2.gz ACDUXMULHLVPOU-UHFFFAOYSA-N 1 3 362.905 2.900 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000532540405 517026919 /nfs/dbraw/zinc/02/69/19/517026919.db2.gz ACDUXMULHLVPOU-UHFFFAOYSA-N 1 3 362.905 2.900 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000519632940 517093705 /nfs/dbraw/zinc/09/37/05/517093705.db2.gz BAEQTFJJRFPWQR-FQEVSTJZSA-N 1 3 359.562 2.530 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(N2CCCC2)nc1 ZINC000519632940 517093716 /nfs/dbraw/zinc/09/37/16/517093716.db2.gz BAEQTFJJRFPWQR-FQEVSTJZSA-N 1 3 359.562 2.530 20 0 FFADHO C[C@@H](NCCCC[NH+]1CCN(C)CC1)c1ncc(Br)cc1F ZINC000548633603 517100521 /nfs/dbraw/zinc/10/05/21/517100521.db2.gz BYJDAAFACQMAIQ-CYBMUJFWSA-N 1 3 373.314 2.661 20 0 FFADHO [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2C1 ZINC000519698454 517132924 /nfs/dbraw/zinc/13/29/24/517132924.db2.gz CQFYKISINJHKBT-HKUYNNGSSA-N 1 3 364.493 2.748 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)[C@H](c2ccccc2)C1 ZINC000552223376 517149083 /nfs/dbraw/zinc/14/90/83/517149083.db2.gz SMGIQJIXVHEGML-ODAXIHTASA-N 1 3 370.585 2.828 20 0 FFADHO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000537406920 517173923 /nfs/dbraw/zinc/17/39/23/517173923.db2.gz KWKAVTQJUNYSKG-LEWJYISDSA-N 1 3 373.541 2.805 20 0 FFADHO NC(=O)[C@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000541798323 517221842 /nfs/dbraw/zinc/22/18/42/517221842.db2.gz CIXQBKMLCMDEMZ-NRFANRHFSA-N 1 3 351.494 2.859 20 0 FFADHO C[NH+](C)CCCCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000552369782 517225476 /nfs/dbraw/zinc/22/54/76/517225476.db2.gz FSCQDSMNIXEXHM-UHFFFAOYSA-N 1 3 358.530 2.889 20 0 FFADHO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1N1CCN(C)CC1 ZINC000537622061 517265430 /nfs/dbraw/zinc/26/54/30/517265430.db2.gz NNNYBAQNMJRTAW-NVXWUHKLSA-N 1 3 359.543 2.596 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1N1CCN(C)CC1 ZINC000537622061 517265436 /nfs/dbraw/zinc/26/54/36/517265436.db2.gz NNNYBAQNMJRTAW-NVXWUHKLSA-N 1 3 359.543 2.596 20 0 FFADHO OC1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000556234100 517329652 /nfs/dbraw/zinc/32/96/52/517329652.db2.gz USLCSVUKEYXFME-QNGMFEMESA-N 1 3 358.526 2.808 20 0 FFADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000542027078 517345113 /nfs/dbraw/zinc/34/51/13/517345113.db2.gz UPKXIQYAZPGVOO-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467291 517364943 /nfs/dbraw/zinc/36/49/43/517364943.db2.gz XASSEWAEWFKUCD-IEBWSBKVSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467291 517364947 /nfs/dbraw/zinc/36/49/47/517364947.db2.gz XASSEWAEWFKUCD-IEBWSBKVSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467291 517364956 /nfs/dbraw/zinc/36/49/56/517364956.db2.gz XASSEWAEWFKUCD-IEBWSBKVSA-N 1 3 354.922 2.928 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000552818108 517403744 /nfs/dbraw/zinc/40/37/44/517403744.db2.gz AOBOTXJPCWNDOB-IBGZPJMESA-N 1 3 361.530 2.926 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)[C@@H](n2cncn2)C1 ZINC000559740513 517404014 /nfs/dbraw/zinc/40/40/14/517404014.db2.gz GSPNFHDMXWSIDW-AHRSYUTCSA-N 1 3 357.502 2.738 20 0 FFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000537953382 517415631 /nfs/dbraw/zinc/41/56/31/517415631.db2.gz QSRMTMFUPMLCHF-VQIMIIECSA-N 1 3 356.576 2.834 20 0 FFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000537953382 517415644 /nfs/dbraw/zinc/41/56/44/517415644.db2.gz QSRMTMFUPMLCHF-VQIMIIECSA-N 1 3 356.576 2.834 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545907425 517428192 /nfs/dbraw/zinc/42/81/92/517428192.db2.gz ISJLATLEBCXOND-XLIONFOSSA-N 1 3 352.482 2.545 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000520547954 517430984 /nfs/dbraw/zinc/43/09/84/517430984.db2.gz YQLBVSFONGHOBZ-PKOBYXMFSA-N 1 3 358.530 2.586 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000552966083 517456468 /nfs/dbraw/zinc/45/64/68/517456468.db2.gz HZYHAIVTYIWLGQ-OAQYLSRUSA-N 1 3 351.494 2.887 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000552966083 517456476 /nfs/dbraw/zinc/45/64/76/517456476.db2.gz HZYHAIVTYIWLGQ-OAQYLSRUSA-N 1 3 351.494 2.887 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000530025425 517505308 /nfs/dbraw/zinc/50/53/08/517505308.db2.gz DQLCEWONCORLGV-LEWJYISDSA-N 1 3 355.526 2.999 20 0 FFADHO C[C@@H](CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000542378001 517528213 /nfs/dbraw/zinc/52/82/13/517528213.db2.gz LBSZRIUGWGIKTF-ICSRJNTNSA-N 1 3 360.546 2.723 20 0 FFADHO OC[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000562958500 517532238 /nfs/dbraw/zinc/53/22/38/517532238.db2.gz KAALGJDMBDTXDO-RCZSKKKRSA-N 1 3 352.478 2.683 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[NH+]1CCC(C)CC1 ZINC000520893853 517543871 /nfs/dbraw/zinc/54/38/71/517543871.db2.gz IACPIMNQRUCKMM-QUCCMNQESA-N 1 3 360.546 2.579 20 0 FFADHO C[NH+](C)CC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCCC1 ZINC000546153871 517573160 /nfs/dbraw/zinc/57/31/60/517573160.db2.gz BFUGJENAOFILOP-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CN(CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1cc[nH+]cc1 ZINC000563017496 517586307 /nfs/dbraw/zinc/58/63/07/517586307.db2.gz ISIQSASIPLUARY-PZJWPPBQSA-N 1 3 364.493 2.641 20 0 FFADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560147951 517607147 /nfs/dbraw/zinc/60/71/47/517607147.db2.gz QGGJSOIGJYKAEH-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560147951 517607155 /nfs/dbraw/zinc/60/71/55/517607155.db2.gz QGGJSOIGJYKAEH-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO Cn1cncc1CCCN1CCC[C@@H]([N@H+](C)CCCc2cncn2C)CC1 ZINC000516191087 517611180 /nfs/dbraw/zinc/61/11/80/517611180.db2.gz DIOWJWCLCDUVED-LJQANCHMSA-N 1 3 372.561 2.505 20 0 FFADHO Cn1cncc1CCCN1CCC[C@@H]([N@@H+](C)CCCc2cncn2C)CC1 ZINC000516191087 517611193 /nfs/dbraw/zinc/61/11/93/517611193.db2.gz DIOWJWCLCDUVED-LJQANCHMSA-N 1 3 372.561 2.505 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000533809027 517621334 /nfs/dbraw/zinc/62/13/34/517621334.db2.gz VXOBFDZNWQQOMD-NRFANRHFSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000533812786 517623580 /nfs/dbraw/zinc/62/35/80/517623580.db2.gz MUQIMWCABXXNKZ-QWFCFKBJSA-N 1 3 360.546 2.721 20 0 FFADHO COc1ccc(C[C@H](C)CNC[C@@H](O)C[NH+]2CCC(C)CC2)cc1F ZINC000546336261 517643851 /nfs/dbraw/zinc/64/38/51/517643851.db2.gz PFDHHQFHJZMRKG-FUHWJXTLSA-N 1 3 352.494 2.695 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248720 517654010 /nfs/dbraw/zinc/65/40/10/517654010.db2.gz ONFNPEPKCSFDOK-OAQYLSRUSA-N 1 3 372.488 2.910 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000563152701 517694690 /nfs/dbraw/zinc/69/46/90/517694690.db2.gz WPFCMESKFJBUKV-CFVMTHIKSA-N 1 3 351.878 2.736 20 0 FFADHO CN(CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1cc[nH+]cc1 ZINC000542786659 517741731 /nfs/dbraw/zinc/74/17/31/517741731.db2.gz KRLVQPODKIYUOK-FQEVSTJZSA-N 1 3 352.482 2.689 20 0 FFADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000549943048 517798287 /nfs/dbraw/zinc/79/82/87/517798287.db2.gz MRDWXWUKBLVHCS-YPAWHYETSA-N 1 3 368.525 2.898 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000516824607 517859325 /nfs/dbraw/zinc/85/93/25/517859325.db2.gz KVDKYOIDVACVQO-SFHVURJKSA-N 1 3 360.546 2.854 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000516824607 517859335 /nfs/dbraw/zinc/85/93/35/517859335.db2.gz KVDKYOIDVACVQO-SFHVURJKSA-N 1 3 360.546 2.854 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)NCCCCC[NH+]1CCCCC1 ZINC000530579638 517860314 /nfs/dbraw/zinc/86/03/14/517860314.db2.gz ICCZQZABTLPWEA-UHFFFAOYSA-N 1 3 365.562 2.794 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000557137905 517876492 /nfs/dbraw/zinc/87/64/92/517876492.db2.gz KILUCHAMIQPDMY-GVDBMIGSSA-N 1 3 364.559 2.948 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C4CC4)[C@@H]3C3CC3)CC2)CC1 ZINC000563410271 517887260 /nfs/dbraw/zinc/88/72/60/517887260.db2.gz WGPQCLLCRHUHLU-SFTDATJTSA-N 1 3 359.558 2.830 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553940233 517981120 /nfs/dbraw/zinc/98/11/20/517981120.db2.gz FIDFQHQQRWSSIW-MSOLQXFVSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553940233 517981128 /nfs/dbraw/zinc/98/11/28/517981128.db2.gz FIDFQHQQRWSSIW-MSOLQXFVSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000563585539 518000989 /nfs/dbraw/zinc/00/09/89/518000989.db2.gz CQBAEWGIWBEVMY-UAOJZALGSA-N 1 3 352.482 2.622 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC3CC[NH+](CC(C)C)CC3)c2cc1C ZINC000557485162 518029831 /nfs/dbraw/zinc/02/98/31/518029831.db2.gz VZDDPNJIQSDAOW-LJQANCHMSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C3CCN(CC(C)C)CC3)c2cc1C ZINC000557485162 518029838 /nfs/dbraw/zinc/02/98/38/518029838.db2.gz VZDDPNJIQSDAOW-LJQANCHMSA-N 1 3 358.530 2.724 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000522293780 518069523 /nfs/dbraw/zinc/06/95/23/518069523.db2.gz KFVQIBWYMITJBD-NRFANRHFSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000522293780 518069530 /nfs/dbraw/zinc/06/95/30/518069530.db2.gz KFVQIBWYMITJBD-NRFANRHFSA-N 1 3 370.541 2.921 20 0 FFADHO CN(CCCN(C)C(=O)NCC1(C[NH+](C)C)CCCC1)Cc1ccco1 ZINC000554143133 518082454 /nfs/dbraw/zinc/08/24/54/518082454.db2.gz CFPSFTMITVOKPC-UHFFFAOYSA-N 1 3 364.534 2.865 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000560912655 518084799 /nfs/dbraw/zinc/08/47/99/518084799.db2.gz VRLKKFJGVGAQTL-AZUAARDMSA-N 1 3 370.541 3.373 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000560912655 518084808 /nfs/dbraw/zinc/08/48/08/518084808.db2.gz VRLKKFJGVGAQTL-AZUAARDMSA-N 1 3 370.541 3.373 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000522406713 518100078 /nfs/dbraw/zinc/10/00/78/518100078.db2.gz TWJLFQDXFIHPOR-OTWHNJEPSA-N 1 3 360.546 2.784 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000522406713 518100087 /nfs/dbraw/zinc/10/00/87/518100087.db2.gz TWJLFQDXFIHPOR-OTWHNJEPSA-N 1 3 360.546 2.784 20 0 FFADHO C[C@@H]1C[C@H](N2CCOCC2)CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000563751744 518105708 /nfs/dbraw/zinc/10/57/08/518105708.db2.gz MBZZLBZCTSUQQE-CTNGQTDRSA-N 1 3 359.558 2.940 20 0 FFADHO C[C@@H]1C[C@H](N2CCOCC2)CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000563751744 518105717 /nfs/dbraw/zinc/10/57/17/518105717.db2.gz MBZZLBZCTSUQQE-CTNGQTDRSA-N 1 3 359.558 2.940 20 0 FFADHO C[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC(Cc2ccccc2)CC1 ZINC000572527780 518233526 /nfs/dbraw/zinc/23/35/26/518233526.db2.gz LNZMCWPMIGMLOZ-XXBNENTESA-N 1 3 369.553 2.932 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)C1 ZINC000584219818 518234401 /nfs/dbraw/zinc/23/44/01/518234401.db2.gz KDOFYXWKZYQGSD-LEWJYISDSA-N 1 3 354.498 2.650 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cn(C)nc1C1CCCCC1 ZINC000575756937 518265982 /nfs/dbraw/zinc/26/59/82/518265982.db2.gz VUBXNAYODSQXCC-UHFFFAOYSA-N 1 3 361.578 2.926 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000569802293 518298633 /nfs/dbraw/zinc/29/86/33/518298633.db2.gz NMGSEJGZAJAPAP-NDMJEZRESA-N 1 3 366.815 2.508 20 0 FFADHO NCc1cn([C@H]2CCC[N@H+](CCOc3ccc4ccccc4c3)C2)nn1 ZINC000578627280 518299313 /nfs/dbraw/zinc/29/93/13/518299313.db2.gz AXIZQMHEZMXTRV-IBGZPJMESA-N 1 3 351.454 2.606 20 0 FFADHO NCc1cn([C@H]2CCC[N@@H+](CCOc3ccc4ccccc4c3)C2)nn1 ZINC000578627280 518299317 /nfs/dbraw/zinc/29/93/17/518299317.db2.gz AXIZQMHEZMXTRV-IBGZPJMESA-N 1 3 351.454 2.606 20 0 FFADHO Cc1cc(C)c(NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C)c(C)c1 ZINC000575832913 518300639 /nfs/dbraw/zinc/30/06/39/518300639.db2.gz NVPLGECEYPBBCF-LJQANCHMSA-N 1 3 362.562 2.754 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@]3(F)c3ccccc3)CC2)CC1 ZINC000564099548 518305848 /nfs/dbraw/zinc/30/58/48/518305848.db2.gz LHWSMQRUBKMNDL-RBBKRZOGSA-N 1 3 373.516 2.936 20 0 FFADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000575868022 518319379 /nfs/dbraw/zinc/31/93/79/518319379.db2.gz MFCQZJAVYNBNTI-HUUCEWRRSA-N 1 3 350.532 2.525 20 0 FFADHO CN(C)Cc1ccc(-c2noc(-c3cnn([C@H]4CCC[NH2+]C4)c3)n2)cc1 ZINC000578726134 518344339 /nfs/dbraw/zinc/34/43/39/518344339.db2.gz UURNGFYLGSKBOC-KRWDZBQOSA-N 1 3 352.442 2.586 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCCN2CCN(C)CC2)CC1 ZINC000569917130 518354061 /nfs/dbraw/zinc/35/40/61/518354061.db2.gz POTWCSGQPDUJNZ-OAQYLSRUSA-N 1 3 372.601 2.699 20 0 FFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000567109947 518357094 /nfs/dbraw/zinc/35/70/94/518357094.db2.gz JFTVKHZWELPWCN-RTWAWAEBSA-N 1 3 371.525 2.641 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567164673 518384752 /nfs/dbraw/zinc/38/47/52/518384752.db2.gz UEIPRYPAZURZBK-WOJBJXKFSA-N 1 3 373.516 2.886 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000584578010 518406205 /nfs/dbraw/zinc/40/62/05/518406205.db2.gz JMVOVQUHNZNZPF-MSOLQXFVSA-N 1 3 372.513 2.625 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570072212 518427876 /nfs/dbraw/zinc/42/78/76/518427876.db2.gz LAEVTXAONLYWSW-MDKPJZGXSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570072212 518427881 /nfs/dbraw/zinc/42/78/81/518427881.db2.gz LAEVTXAONLYWSW-MDKPJZGXSA-N 1 3 370.541 2.826 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)c(C)c2)CC1 ZINC000576129611 518443720 /nfs/dbraw/zinc/44/37/20/518443720.db2.gz RMBICKFBFWUCAQ-ROUUACIJSA-N 1 3 373.545 2.728 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000564566696 518507059 /nfs/dbraw/zinc/50/70/59/518507059.db2.gz IJPASZJNAMORCK-PMACEKPBSA-N 1 3 352.482 2.517 20 0 FFADHO Cc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000581997988 518539836 /nfs/dbraw/zinc/53/98/36/518539836.db2.gz NCJGBWHEORIWPR-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000581997988 518539842 /nfs/dbraw/zinc/53/98/42/518539842.db2.gz NCJGBWHEORIWPR-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000581997988 518539846 /nfs/dbraw/zinc/53/98/46/518539846.db2.gz NCJGBWHEORIWPR-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000582022303 518550599 /nfs/dbraw/zinc/55/05/99/518550599.db2.gz DQESXWTXGCJEBI-VURPSTOHSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000576397057 518571902 /nfs/dbraw/zinc/57/19/02/518571902.db2.gz CCQFTEDFTSERIG-XLIONFOSSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000576397057 518571908 /nfs/dbraw/zinc/57/19/08/518571908.db2.gz CCQFTEDFTSERIG-XLIONFOSSA-N 1 3 358.530 2.909 20 0 FFADHO CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573270194 518585412 /nfs/dbraw/zinc/58/54/12/518585412.db2.gz UFXLZANXEIBGPP-CJNGLKHVSA-N 1 3 373.950 2.631 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2C[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC000576457397 518601754 /nfs/dbraw/zinc/60/17/54/518601754.db2.gz HMMZZHDJLFHJBT-OAQYLSRUSA-N 1 3 364.493 2.762 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(N)C(F)(F)F)C1 ZINC000576462403 518604344 /nfs/dbraw/zinc/60/43/44/518604344.db2.gz AJHJDOAOTQDICP-XJKCOSOUSA-N 1 3 357.420 2.670 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000570437215 518605834 /nfs/dbraw/zinc/60/58/34/518605834.db2.gz NXEVQUWBHVXZCI-OAQYLSRUSA-N 1 3 369.557 2.935 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1ccccc1 ZINC000570437215 518605840 /nfs/dbraw/zinc/60/58/40/518605840.db2.gz NXEVQUWBHVXZCI-OAQYLSRUSA-N 1 3 369.557 2.935 20 0 FFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576465404 518606162 /nfs/dbraw/zinc/60/61/62/518606162.db2.gz GACXRDWEYKXDKA-XUYIKJJZSA-N 1 3 359.558 2.781 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000567615719 518616583 /nfs/dbraw/zinc/61/65/83/518616583.db2.gz GAQOLKWFHNAINP-UHFFFAOYSA-N 1 3 353.466 2.697 20 0 FFADHO OC[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000567642409 518629399 /nfs/dbraw/zinc/62/93/99/518629399.db2.gz XMPHSULBDWHNCR-WEYGHZABSA-N 1 3 370.468 2.822 20 0 FFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000567653712 518634531 /nfs/dbraw/zinc/63/45/31/518634531.db2.gz KPGAHEHUBCMOON-ONUMYQOESA-N 1 3 353.869 2.777 20 0 FFADHO CN1CCC(C[NH2+]C[C@H](O)CCc2ccccc2)(N2CCCCC2)CC1 ZINC000582237051 518653924 /nfs/dbraw/zinc/65/39/24/518653924.db2.gz ZVOPVCQHMZSJDV-OAQYLSRUSA-N 1 3 359.558 2.520 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000586867177 518668619 /nfs/dbraw/zinc/66/86/19/518668619.db2.gz TZYBTSCLSDISHS-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO COc1cc2c(c(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)c1)O[C@@H](C)C2 ZINC000567711206 518669979 /nfs/dbraw/zinc/66/99/79/518669979.db2.gz JWAWTGZZDZKXIF-ZKYUUJBMSA-N 1 3 360.498 2.737 20 0 FFADHO CC(C)OCc1cccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000570570887 518673745 /nfs/dbraw/zinc/67/37/45/518673745.db2.gz JNKPPGXIYFCQEG-LEWJYISDSA-N 1 3 373.541 2.549 20 0 FFADHO [NH3+]C1(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCCCC1 ZINC000576611191 518676996 /nfs/dbraw/zinc/67/69/96/518676996.db2.gz WQFVXRSCHIDCAG-MRXNPFEDSA-N 1 3 364.559 2.921 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)CCOC(C)C)C2)s1 ZINC000579480795 518701486 /nfs/dbraw/zinc/70/14/86/518701486.db2.gz XPLSSJFEGIKNGN-ZWKOTPCHSA-N 1 3 354.560 2.986 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)CCOC(C)C)C2)s1 ZINC000579480795 518701495 /nfs/dbraw/zinc/70/14/95/518701495.db2.gz XPLSSJFEGIKNGN-ZWKOTPCHSA-N 1 3 354.560 2.986 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000564933943 518703032 /nfs/dbraw/zinc/70/30/32/518703032.db2.gz KXMPHGLUHCEGRY-ZHALLVOQSA-N 1 3 367.578 2.749 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000573545823 518717164 /nfs/dbraw/zinc/71/71/64/518717164.db2.gz SSMVZFOUMIFTHR-TZIWHRDSSA-N 1 3 370.497 2.804 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000573548509 518719982 /nfs/dbraw/zinc/71/99/82/518719982.db2.gz ZUANZDUURVOJPR-SFHVURJKSA-N 1 3 350.551 2.674 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000573548509 518719987 /nfs/dbraw/zinc/71/99/87/518719987.db2.gz ZUANZDUURVOJPR-SFHVURJKSA-N 1 3 350.551 2.674 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)[C@H]1c1cccs1 ZINC000582476185 518772180 /nfs/dbraw/zinc/77/21/80/518772180.db2.gz MSUBKUNNEAWJCI-JZXOWHBKSA-N 1 3 364.559 2.901 20 0 FFADHO C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000573708104 518797821 /nfs/dbraw/zinc/79/78/21/518797821.db2.gz NHAKFILVMMGFIJ-KRWDZBQOSA-N 1 3 370.497 2.904 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000573724077 518804573 /nfs/dbraw/zinc/80/45/73/518804573.db2.gz OZMHVQBWQXIDLX-CZUORRHYSA-N 1 3 366.303 2.615 20 0 FFADHO COCC[NH+]1CCC(N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC1 ZINC000582573369 518817432 /nfs/dbraw/zinc/81/74/32/518817432.db2.gz LKOJQWLQGCSRHK-LEWJYISDSA-N 1 3 354.498 2.812 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000579730219 518825103 /nfs/dbraw/zinc/82/51/03/518825103.db2.gz PWYCPLSWRZLCOG-HMXCVIKNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000579730219 518825110 /nfs/dbraw/zinc/82/51/10/518825110.db2.gz PWYCPLSWRZLCOG-HMXCVIKNSA-N 1 3 355.526 2.841 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000582595112 518829114 /nfs/dbraw/zinc/82/91/14/518829114.db2.gz PYRUDYIZLVRVKL-ARFHVFGLSA-N 1 3 350.532 2.702 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@](C)(OC)CC3)CC2)CC1 ZINC000565200436 518841041 /nfs/dbraw/zinc/84/10/41/518841041.db2.gz RHVYIOSQLQHVRL-NRFANRHFSA-N 1 3 365.562 2.600 20 0 FFADHO CCC[NH+]1CCC(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000588835230 518843063 /nfs/dbraw/zinc/84/30/63/518843063.db2.gz IDPBFAVSTIKCFF-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC[C@@H](O)Cn2cccn2)C1 ZINC000570955511 518858798 /nfs/dbraw/zinc/85/87/98/518858798.db2.gz BWQMSPAUCREOTH-LVCYWYKZSA-N 1 3 356.514 2.512 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@@H](O)Cn2cccn2)C1 ZINC000570955511 518858802 /nfs/dbraw/zinc/85/88/02/518858802.db2.gz BWQMSPAUCREOTH-LVCYWYKZSA-N 1 3 356.514 2.512 20 0 FFADHO CSC1(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCN(C)CC1 ZINC000577033183 518882959 /nfs/dbraw/zinc/88/29/59/518882959.db2.gz IWVKSESNHHLTCO-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CSC1(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCN(C)CC1 ZINC000577033183 518882965 /nfs/dbraw/zinc/88/29/65/518882965.db2.gz IWVKSESNHHLTCO-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000582721035 518889681 /nfs/dbraw/zinc/88/96/81/518889681.db2.gz SBDDLXHNYTZRGP-NRFANRHFSA-N 1 3 372.509 2.670 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573902501 518891072 /nfs/dbraw/zinc/89/10/72/518891072.db2.gz ZZQLGTJXYKRLOI-QUCCMNQESA-N 1 3 355.482 2.962 20 0 FFADHO [NH3+]C1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000573940620 518911636 /nfs/dbraw/zinc/91/16/36/518911636.db2.gz RLSMNTAMVYFVEZ-HNNXBMFYSA-N 1 3 350.532 2.846 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000582784311 518921725 /nfs/dbraw/zinc/92/17/25/518921725.db2.gz FRTKYRZYJIBAIP-XYJFISCASA-N 1 3 355.486 2.560 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000579935843 518928020 /nfs/dbraw/zinc/92/80/20/518928020.db2.gz MJCIRYDXQIFWRZ-KSZLIROESA-N 1 3 364.921 2.630 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@@H](C)[NH3+] ZINC000582844233 518950143 /nfs/dbraw/zinc/95/01/43/518950143.db2.gz YZBIKJXQTWMMDA-SJLPKXTDSA-N 1 3 355.486 2.704 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000582952691 519004008 /nfs/dbraw/zinc/00/40/08/519004008.db2.gz AFUJEQRBNGDERO-UHFFFAOYSA-N 1 3 368.481 2.764 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000571269000 519010398 /nfs/dbraw/zinc/01/03/98/519010398.db2.gz HPPDXORNVNFZHE-HKUYNNGSSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cn2ccccc2n1 ZINC000582978614 519018288 /nfs/dbraw/zinc/01/82/88/519018288.db2.gz BLSMCIOOKTWNDZ-GOSISDBHSA-N 1 3 364.497 2.592 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589641016 519052696 /nfs/dbraw/zinc/05/26/96/519052696.db2.gz BXVXXUIIRYCQEK-MRXNPFEDSA-N 1 3 353.532 2.660 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589641016 519052691 /nfs/dbraw/zinc/05/26/91/519052691.db2.gz BXVXXUIIRYCQEK-MRXNPFEDSA-N 1 3 353.532 2.660 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)NCc2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000568501248 519070982 /nfs/dbraw/zinc/07/09/82/519070982.db2.gz JLIGERFUBKEOQO-CQSZACIVSA-N 1 3 365.485 2.617 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000577512838 519119204 /nfs/dbraw/zinc/11/92/04/519119204.db2.gz YUITYLYVCFDZTM-PZJWPPBQSA-N 1 3 366.509 2.672 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)Cc2ccccc2C(F)(F)F)CCCO1 ZINC000565770342 519124001 /nfs/dbraw/zinc/12/40/01/519124001.db2.gz PNTQZCUQMVDYAU-RDJZCZTQSA-N 1 3 374.447 2.699 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)Cc2ccccc2C(F)(F)F)CCCO1 ZINC000565770342 519124009 /nfs/dbraw/zinc/12/40/09/519124009.db2.gz PNTQZCUQMVDYAU-RDJZCZTQSA-N 1 3 374.447 2.699 20 0 FFADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1=O ZINC000574400843 519137309 /nfs/dbraw/zinc/13/73/09/519137309.db2.gz ZAAYNWZWOFTEGM-WCIQWLHISA-N 1 3 355.526 2.886 20 0 FFADHO [NH3+]C[C@H]1CN(Cc2ccc(OCc3cccnc3)cc2)CC12CCOCC2 ZINC000568628419 519138095 /nfs/dbraw/zinc/13/80/95/519138095.db2.gz RFYFQLBPLBFZBP-FQEVSTJZSA-N 1 3 367.493 2.848 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N1CCc2ccccc2C1 ZINC000580374184 519141196 /nfs/dbraw/zinc/14/11/96/519141196.db2.gz BQBFZKRUNVCVMB-FXAWDEMLSA-N 1 3 360.546 2.851 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N1CCc2ccccc2C1 ZINC000580374184 519141200 /nfs/dbraw/zinc/14/12/00/519141200.db2.gz BQBFZKRUNVCVMB-FXAWDEMLSA-N 1 3 360.546 2.851 20 0 FFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000583251578 519153259 /nfs/dbraw/zinc/15/32/59/519153259.db2.gz RLHXVWSIGROKIQ-KRWDZBQOSA-N 1 3 368.456 2.867 20 0 FFADHO Clc1ccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000566062602 519273928 /nfs/dbraw/zinc/27/39/28/519273928.db2.gz PEJJFIVLYGPTJZ-APWZRJJASA-N 1 3 359.857 2.959 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000568920911 519282163 /nfs/dbraw/zinc/28/21/63/519282163.db2.gz DCDZYWOZAHCUHB-FQEVSTJZSA-N 1 3 358.530 2.676 20 0 FFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(I)s2)C1 ZINC000590600572 519282976 /nfs/dbraw/zinc/28/29/76/519282976.db2.gz JDBWRNNJWDQJIS-JTQLQIEISA-N 1 3 350.269 2.784 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000566192806 519361575 /nfs/dbraw/zinc/36/15/75/519361575.db2.gz DLTCRCFCLBKFBF-LEWJYISDSA-N 1 3 364.493 2.561 20 0 FFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000578006076 519368184 /nfs/dbraw/zinc/36/81/84/519368184.db2.gz QPVHBMLRGWYNSY-AUSIDOKSSA-N 1 3 367.537 2.688 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC2([NH3+])CCC2)c2cccs2)CC1 ZINC000572103183 519445730 /nfs/dbraw/zinc/44/57/30/519445730.db2.gz JAQXEEXKKVJDDW-HNNXBMFYSA-N 1 3 350.532 2.702 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C2CC2)[NH+](C)C)cc1 ZINC000583832630 519456511 /nfs/dbraw/zinc/45/65/11/519456511.db2.gz IWFJSVDBHBMUNN-VQTJNVASSA-N 1 3 359.514 2.820 20 0 FFADHO COCCN(C)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000566369784 519457143 /nfs/dbraw/zinc/45/71/43/519457143.db2.gz WNQYEWZXKXPGRZ-BHIFYINESA-N 1 3 359.558 2.845 20 0 FFADHO COCCN(C)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000566369784 519457148 /nfs/dbraw/zinc/45/71/48/519457148.db2.gz WNQYEWZXKXPGRZ-BHIFYINESA-N 1 3 359.558 2.845 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000569257517 519457119 /nfs/dbraw/zinc/45/71/19/519457119.db2.gz BJTXBCHIUBLUAI-NRFANRHFSA-N 1 3 369.509 2.832 20 0 FFADHO CC(=O)c1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C ZINC000575069592 519482598 /nfs/dbraw/zinc/48/25/98/519482598.db2.gz BQUQPQKLLPUILL-UHFFFAOYSA-N 1 3 372.513 2.878 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CCCCCC1 ZINC000578236271 519490684 /nfs/dbraw/zinc/49/06/84/519490684.db2.gz HMYLZOMFHKVRDJ-XKGZKEIXSA-N 1 3 361.505 2.900 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2)CC1 ZINC000581073240 519509399 /nfs/dbraw/zinc/50/93/99/519509399.db2.gz CDZUBHYTBHOXPY-HBFSDRIKSA-N 1 3 372.557 2.662 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000566509359 519527329 /nfs/dbraw/zinc/52/73/29/519527329.db2.gz SVCPSVSWBNBTRE-NHCUHLMSSA-N 1 3 366.509 2.645 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000566509359 519527335 /nfs/dbraw/zinc/52/73/35/519527335.db2.gz SVCPSVSWBNBTRE-NHCUHLMSSA-N 1 3 366.509 2.645 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000575154576 519529981 /nfs/dbraw/zinc/52/99/81/519529981.db2.gz SDUHYFLNCWYGDE-VQTJNVASSA-N 1 3 350.466 2.899 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)ncn1 ZINC000581185221 519565118 /nfs/dbraw/zinc/56/51/18/519565118.db2.gz INBAYKFEJGLLKI-MTQWCTHYSA-N 1 3 357.546 2.908 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000581240578 519593512 /nfs/dbraw/zinc/59/35/12/519593512.db2.gz MMEVATSYUDRZFN-YFHUEUNASA-N 1 3 364.559 2.948 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000581283164 519611822 /nfs/dbraw/zinc/61/18/22/519611822.db2.gz UGEWYLGJJWAWRZ-IBGZPJMESA-N 1 3 359.514 2.821 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000591408776 519619371 /nfs/dbraw/zinc/61/93/71/519619371.db2.gz IDDPLZAHBNHVNB-IEBWSBKVSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000591408776 519619372 /nfs/dbraw/zinc/61/93/72/519619372.db2.gz IDDPLZAHBNHVNB-IEBWSBKVSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000608437493 519976127 /nfs/dbraw/zinc/97/61/27/519976127.db2.gz BTWPCPWWDJMFHS-SFTDATJTSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000608437493 519976137 /nfs/dbraw/zinc/97/61/37/519976137.db2.gz BTWPCPWWDJMFHS-SFTDATJTSA-N 1 3 370.541 2.634 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000594495235 520002084 /nfs/dbraw/zinc/00/20/84/520002084.db2.gz OLTVYLZJINSXCF-IIBYNOLFSA-N 1 3 372.509 2.941 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCN1C ZINC000608704383 520090035 /nfs/dbraw/zinc/09/00/35/520090035.db2.gz SYYXYGYFWAKJEQ-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO COC(=O)c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n(C)c1C ZINC000594968261 520234715 /nfs/dbraw/zinc/23/47/15/520234715.db2.gz FJUUWJINECDSPK-UHFFFAOYSA-N 1 3 370.497 2.517 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978754 520253915 /nfs/dbraw/zinc/25/39/15/520253915.db2.gz BIAUCWRNCWQUAM-MOPGFXCFSA-N 1 3 358.530 2.584 20 0 FFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000617343079 520440291 /nfs/dbraw/zinc/44/02/91/520440291.db2.gz LHKYMZLGWUIONU-WOJBJXKFSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000617343079 520440298 /nfs/dbraw/zinc/44/02/98/520440298.db2.gz LHKYMZLGWUIONU-WOJBJXKFSA-N 1 3 357.542 2.930 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000604165691 520465837 /nfs/dbraw/zinc/46/58/37/520465837.db2.gz JFZIVOSLJCECAS-IBGZPJMESA-N 1 3 356.514 2.708 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604195178 520481876 /nfs/dbraw/zinc/48/18/76/520481876.db2.gz SNPPGQMTJQQMIK-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604195178 520481881 /nfs/dbraw/zinc/48/18/81/520481881.db2.gz SNPPGQMTJQQMIK-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000600855893 520498415 /nfs/dbraw/zinc/49/84/15/520498415.db2.gz QBQNTKQSCKVAGD-QZTJIDSGSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000600855893 520498420 /nfs/dbraw/zinc/49/84/20/520498420.db2.gz QBQNTKQSCKVAGD-QZTJIDSGSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)ccc1F ZINC000617503635 520536868 /nfs/dbraw/zinc/53/68/68/520536868.db2.gz RLROCRBQCXWOPW-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)ccc1F ZINC000617503635 520536873 /nfs/dbraw/zinc/53/68/73/520536873.db2.gz RLROCRBQCXWOPW-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000617502115 520537796 /nfs/dbraw/zinc/53/77/96/520537796.db2.gz CQZMHEWYTPEMIQ-KBXCAEBGSA-N 1 3 367.921 2.690 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000617502115 520537802 /nfs/dbraw/zinc/53/78/02/520537802.db2.gz CQZMHEWYTPEMIQ-KBXCAEBGSA-N 1 3 367.921 2.690 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1scnc1-c1ccccc1 ZINC000617503438 520538083 /nfs/dbraw/zinc/53/80/83/520538083.db2.gz JITSQDWOHTWEBA-INIZCTEOSA-N 1 3 374.554 2.741 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1scnc1-c1ccccc1 ZINC000617503438 520538089 /nfs/dbraw/zinc/53/80/89/520538089.db2.gz JITSQDWOHTWEBA-INIZCTEOSA-N 1 3 374.554 2.741 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000617506356 520540881 /nfs/dbraw/zinc/54/08/81/520540881.db2.gz KSGSHILXIZYUQO-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000617506356 520540887 /nfs/dbraw/zinc/54/08/87/520540887.db2.gz KSGSHILXIZYUQO-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)c(F)c1 ZINC000617505007 520541959 /nfs/dbraw/zinc/54/19/59/520541959.db2.gz SZYFKJBKUNNSTP-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)c(F)c1 ZINC000617505007 520541962 /nfs/dbraw/zinc/54/19/62/520541962.db2.gz SZYFKJBKUNNSTP-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO CC(C)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C(C)(C)C ZINC000617505044 520543074 /nfs/dbraw/zinc/54/30/74/520543074.db2.gz UTKZYZFYZPUOLA-INIZCTEOSA-N 1 3 365.566 2.763 20 0 FFADHO CC(C)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C(C)(C)C ZINC000617505044 520543075 /nfs/dbraw/zinc/54/30/75/520543075.db2.gz UTKZYZFYZPUOLA-INIZCTEOSA-N 1 3 365.566 2.763 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C ZINC000604752289 520659347 /nfs/dbraw/zinc/65/93/47/520659347.db2.gz DQBIYUBXJDSCIL-MOPGFXCFSA-N 1 3 360.546 2.776 20 0 FFADHO C[C@@H](CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000617750996 520701823 /nfs/dbraw/zinc/70/18/23/520701823.db2.gz OTZBQVIFOJRCLH-MAUKXSAKSA-N 1 3 371.447 2.897 20 0 FFADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000595901279 520808466 /nfs/dbraw/zinc/80/84/66/520808466.db2.gz URRPTHBQYPPIJG-SFHVURJKSA-N 1 3 372.513 2.663 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606411705 521054059 /nfs/dbraw/zinc/05/40/59/521054059.db2.gz VFICYFPVRXOJQJ-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606411705 521054065 /nfs/dbraw/zinc/05/40/65/521054065.db2.gz VFICYFPVRXOJQJ-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1C ZINC000602016752 521081194 /nfs/dbraw/zinc/08/11/94/521081194.db2.gz YVQNQRRTXGHGDN-WMZOPIPTSA-N 1 3 355.482 2.812 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606660125 521127880 /nfs/dbraw/zinc/12/78/80/521127880.db2.gz QZHCZDPIHURCKT-AZUAARDMSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606701640 521143498 /nfs/dbraw/zinc/14/34/98/521143498.db2.gz HCBQLLUHJCSMKR-LJQANCHMSA-N 1 3 372.557 2.943 20 0 FFADHO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC12CC(C1)CN2 ZINC000596651157 521191356 /nfs/dbraw/zinc/19/13/56/521191356.db2.gz AGRIUJYQBZUBER-YGONEPDPSA-N 1 3 370.278 2.954 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N2CCCN(C)CC2)c2cccs2)CC1 ZINC000611663768 521271664 /nfs/dbraw/zinc/27/16/64/521271664.db2.gz XZBMWUWMEOULQT-QGZVFWFLSA-N 1 3 364.559 2.868 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000611669970 521272146 /nfs/dbraw/zinc/27/21/46/521272146.db2.gz LJGBBMJMHKFCFV-FQEVSTJZSA-N 1 3 360.546 2.835 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000602441455 521346497 /nfs/dbraw/zinc/34/64/97/521346497.db2.gz HTIUFLJPISFZGT-UHFFFAOYSA-N 1 3 360.546 2.944 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000602441455 521346509 /nfs/dbraw/zinc/34/65/09/521346509.db2.gz HTIUFLJPISFZGT-UHFFFAOYSA-N 1 3 360.546 2.944 20 0 FFADHO OCC[C@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000607733834 521446764 /nfs/dbraw/zinc/44/67/64/521446764.db2.gz QAWIZXNMJYPVDO-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H](CCO)C2)C1 ZINC000607733834 521446771 /nfs/dbraw/zinc/44/67/71/521446771.db2.gz QAWIZXNMJYPVDO-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@@H](CCO)C2)C1 ZINC000607733834 521446779 /nfs/dbraw/zinc/44/67/79/521446779.db2.gz QAWIZXNMJYPVDO-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@@H](CCO)C2)C1 ZINC000607733834 521446783 /nfs/dbraw/zinc/44/67/83/521446783.db2.gz QAWIZXNMJYPVDO-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000612104343 521482406 /nfs/dbraw/zinc/48/24/06/521482406.db2.gz HUTHASRSPUXEFU-YZGWKJHDSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000612104343 521482413 /nfs/dbraw/zinc/48/24/13/521482413.db2.gz HUTHASRSPUXEFU-YZGWKJHDSA-N 1 3 355.526 2.683 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)o1 ZINC000615672304 521498791 /nfs/dbraw/zinc/49/87/91/521498791.db2.gz SPQCIBJDLCPWFL-IAGOWNOFSA-N 1 3 364.534 2.924 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)o1 ZINC000615672304 521498793 /nfs/dbraw/zinc/49/87/93/521498793.db2.gz SPQCIBJDLCPWFL-IAGOWNOFSA-N 1 3 364.534 2.924 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000608290124 521646278 /nfs/dbraw/zinc/64/62/78/521646278.db2.gz NRJGTLZRMAWGGQ-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000608290124 521646281 /nfs/dbraw/zinc/64/62/81/521646281.db2.gz NRJGTLZRMAWGGQ-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000625881333 521755929 /nfs/dbraw/zinc/75/59/29/521755929.db2.gz NOXUCKRYOBRCFO-HUUCEWRRSA-N 1 3 372.435 2.782 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCCS(=O)(=O)CC3)cc2)C1 ZINC000634953282 521832191 /nfs/dbraw/zinc/83/21/91/521832191.db2.gz WXQMPFBGRCGDJW-XLIONFOSSA-N 1 3 364.555 2.975 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCCS(=O)(=O)CC3)cc2)C1 ZINC000634953282 521832201 /nfs/dbraw/zinc/83/22/01/521832201.db2.gz WXQMPFBGRCGDJW-XLIONFOSSA-N 1 3 364.555 2.975 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc2nccnc2c1 ZINC000634974965 521847345 /nfs/dbraw/zinc/84/73/45/521847345.db2.gz OKJWDPLQRBSMLT-FQEVSTJZSA-N 1 3 362.477 2.876 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc2nccnc2c1 ZINC000634974965 521847354 /nfs/dbraw/zinc/84/73/54/521847354.db2.gz OKJWDPLQRBSMLT-FQEVSTJZSA-N 1 3 362.477 2.876 20 0 FFADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(NS(C)(=O)=O)cc1 ZINC000635010827 521865014 /nfs/dbraw/zinc/86/50/14/521865014.db2.gz NBGLJZCFXFSJIY-AWEZNQCLSA-N 1 3 359.495 2.555 20 0 FFADHO CCc1noc(C2CCC(Nc3cc(N4CCNCC4)cc[nH+]3)CC2)n1 ZINC000635010570 521865652 /nfs/dbraw/zinc/86/56/52/521865652.db2.gz TYFAGYPHPAVSNZ-UHFFFAOYSA-N 1 3 356.474 2.575 20 0 FFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ncc(Br)s1 ZINC000635009804 521865824 /nfs/dbraw/zinc/86/58/24/521865824.db2.gz OHUIHFXJCUXIDP-SNVBAGLBSA-N 1 3 368.304 2.883 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000635013352 521868529 /nfs/dbraw/zinc/86/85/29/521868529.db2.gz YBOVMJAONHYYFW-KRWDZBQOSA-N 1 3 354.454 2.608 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC1CC1 ZINC000623453284 522033667 /nfs/dbraw/zinc/03/36/67/522033667.db2.gz HQXZUUKPLPICJW-RBUKOAKNSA-N 1 3 360.498 2.704 20 0 FFADHO OC1(C[NH2+]Cc2cccc3n[nH]cc32)CCN(Cc2ccccc2)CC1 ZINC000623551066 522112419 /nfs/dbraw/zinc/11/24/19/522112419.db2.gz JBYCEUKWKCECKG-UHFFFAOYSA-N 1 3 350.466 2.680 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)c2ccccc2OCCN(C)C)([NH+](C)C)C1 ZINC000620206735 522119650 /nfs/dbraw/zinc/11/96/50/522119650.db2.gz MWZVNMMHXBWQHA-UTKZUKDTSA-N 1 3 361.530 2.867 20 0 FFADHO [NH3+]CCCOCCNCc1cc(Br)cc(C(F)(F)F)c1 ZINC000629399115 522191913 /nfs/dbraw/zinc/19/19/13/522191913.db2.gz LVLQKODVPGIZOL-UHFFFAOYSA-N 1 3 355.198 2.923 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632924085 522398240 /nfs/dbraw/zinc/39/82/40/522398240.db2.gz VBUSHWSUYRQLQB-HDICACEKSA-N 1 3 358.486 2.519 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000632957814 522427924 /nfs/dbraw/zinc/42/79/24/522427924.db2.gz NBXLBHGQNWICFK-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO CN1CCC(n2cc(NC(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)cn2)CC1 ZINC000632962067 522431970 /nfs/dbraw/zinc/43/19/70/522431970.db2.gz WVXUGJDFUKIDSE-VQIMIIECSA-N 1 3 374.533 2.536 20 0 FFADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000620912823 522515087 /nfs/dbraw/zinc/51/50/87/522515087.db2.gz UHSGIVHHWNMAMA-PMACEKPBSA-N 1 3 373.541 2.781 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000633074963 522516033 /nfs/dbraw/zinc/51/60/33/522516033.db2.gz WUFHTVBPJUSAOA-PKOBYXMFSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000633074963 522516043 /nfs/dbraw/zinc/51/60/43/522516043.db2.gz WUFHTVBPJUSAOA-PKOBYXMFSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000633074961 522516528 /nfs/dbraw/zinc/51/65/28/522516528.db2.gz WUFHTVBPJUSAOA-IEBWSBKVSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000633074961 522516543 /nfs/dbraw/zinc/51/65/43/522516543.db2.gz WUFHTVBPJUSAOA-IEBWSBKVSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@](O)(C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)C1CC1 ZINC000630041510 522601587 /nfs/dbraw/zinc/60/15/87/522601587.db2.gz NGEVKUAXXISGGT-PNJWGLBASA-N 1 3 372.553 2.885 20 0 FFADHO C[C@](O)(C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)C1CC1 ZINC000630041510 522601593 /nfs/dbraw/zinc/60/15/93/522601593.db2.gz NGEVKUAXXISGGT-PNJWGLBASA-N 1 3 372.553 2.885 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000627038146 522610057 /nfs/dbraw/zinc/61/00/57/522610057.db2.gz ZFNCMJXRZRYCFR-OALUTQOASA-N 1 3 374.529 2.660 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000630078689 522614116 /nfs/dbraw/zinc/61/41/16/522614116.db2.gz VAMVHEJAHBAOPS-FMKPAKJESA-N 1 3 354.397 2.869 20 0 FFADHO COc1cccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000621641186 522991772 /nfs/dbraw/zinc/99/17/72/522991772.db2.gz CEDHQZGDNVXAAR-YLJYHZDGSA-N 1 3 359.514 2.728 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000634121970 523197532 /nfs/dbraw/zinc/19/75/32/523197532.db2.gz MMAIMXYHJSAPES-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1coc2cc(Cl)ccc12 ZINC000625289700 523323440 /nfs/dbraw/zinc/32/34/40/523323440.db2.gz SQWCNOUBTDRUDT-UHFFFAOYSA-N 1 3 351.878 2.581 20 0 FFADHO CCCN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000628132667 523369654 /nfs/dbraw/zinc/36/96/54/523369654.db2.gz LPEYQFBDKFKMPV-QHAWAJNXSA-N 1 3 355.526 2.745 20 0 FFADHO CCCN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000628132667 523369660 /nfs/dbraw/zinc/36/96/60/523369660.db2.gz LPEYQFBDKFKMPV-QHAWAJNXSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H](CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[NH+]1CCCCC1 ZINC000637041582 523382548 /nfs/dbraw/zinc/38/25/48/523382548.db2.gz VRLLKRVRNPVPFS-INIZCTEOSA-N 1 3 362.522 2.536 20 0 FFADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ncc1Br ZINC000628278094 523459899 /nfs/dbraw/zinc/45/98/99/523459899.db2.gz ZBELULHCPOJPNU-UHFFFAOYSA-N 1 3 369.351 2.610 20 0 FFADHO CN(C)[C@@H](C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccsc1 ZINC000634640781 523543903 /nfs/dbraw/zinc/54/39/03/523543903.db2.gz HAGQKOLGSIDLGG-VQTJNVASSA-N 1 3 359.539 2.577 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701468 523589496 /nfs/dbraw/zinc/58/94/96/523589496.db2.gz QGRNBRWWYDOKOP-LRDDRELGSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701468 523589505 /nfs/dbraw/zinc/58/95/05/523589505.db2.gz QGRNBRWWYDOKOP-LRDDRELGSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701468 523589514 /nfs/dbraw/zinc/58/95/14/523589514.db2.gz QGRNBRWWYDOKOP-LRDDRELGSA-N 1 3 359.297 2.807 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000623071324 523657021 /nfs/dbraw/zinc/65/70/21/523657021.db2.gz FVBMJVCDQNKPIZ-QRQLOZEOSA-N 1 3 360.502 2.641 20 0 FFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000631603139 523711635 /nfs/dbraw/zinc/71/16/35/523711635.db2.gz UVGROPYJSUWKDR-FHWLQOOXSA-N 1 3 360.498 2.876 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631628618 523725963 /nfs/dbraw/zinc/72/59/63/523725963.db2.gz IBOKAHSDSGKZRW-IHPCNDPISA-N 1 3 359.514 2.849 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCNc4cnccn4)[C@@H]3C2)cc1 ZINC000512648885 561911248 /nfs/dbraw/zinc/91/12/48/561911248.db2.gz PIXGXJVTFVASAS-XUVXKRRUSA-N 1 3 351.498 2.779 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCNc4cnccn4)[C@@H]3C2)cc1 ZINC000512648885 561911249 /nfs/dbraw/zinc/91/12/49/561911249.db2.gz PIXGXJVTFVASAS-XUVXKRRUSA-N 1 3 351.498 2.779 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCNc4cnccn4)[C@@H]3C2)cc1 ZINC000512648885 561911250 /nfs/dbraw/zinc/91/12/50/561911250.db2.gz PIXGXJVTFVASAS-XUVXKRRUSA-N 1 3 351.498 2.779 20 0 FFADHO O=C(NCc1ccc2c(c1)CNC2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000669198698 568565003 /nfs/dbraw/zinc/56/50/03/568565003.db2.gz LQAXNRYRCHODKI-UHFFFAOYSA-N 1 3 364.493 2.885 20 0 FFADHO CCC(CC)(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)SC ZINC000743591375 735307581 /nfs/dbraw/zinc/30/75/81/735307581.db2.gz YVBVTNJAVLUAEF-UHFFFAOYSA-N 1 3 370.607 2.766 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=S)NCCC[NH+](C)C ZINC000065704345 728160910 /nfs/dbraw/zinc/16/09/10/728160910.db2.gz UBKRPWSGGPSCDJ-UHFFFAOYSA-N 1 3 356.967 2.530 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000122042578 728643374 /nfs/dbraw/zinc/64/33/74/728643374.db2.gz YKCZWPTWNOAZCD-HXUWFJFHSA-N 1 3 352.494 2.930 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000122042578 728643375 /nfs/dbraw/zinc/64/33/75/728643375.db2.gz YKCZWPTWNOAZCD-HXUWFJFHSA-N 1 3 352.494 2.930 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638233221 730016646 /nfs/dbraw/zinc/01/66/46/730016646.db2.gz XYAFKXDJQYRHBX-MRXNPFEDSA-N 1 3 355.404 2.643 20 0 FFADHO CN(C)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cc1 ZINC000638722518 730041135 /nfs/dbraw/zinc/04/11/35/730041135.db2.gz RWGWFQSQLVDPLZ-SFHVURJKSA-N 1 3 353.938 2.768 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)C[C@@](C)(O)C3CC3)C2)s1 ZINC000639632551 730090970 /nfs/dbraw/zinc/09/09/70/730090970.db2.gz CBGBJGNWIOTKMG-YVWKXTFCSA-N 1 3 366.571 2.722 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)C[C@@](C)(O)C3CC3)C2)s1 ZINC000639632551 730090972 /nfs/dbraw/zinc/09/09/72/730090972.db2.gz CBGBJGNWIOTKMG-YVWKXTFCSA-N 1 3 366.571 2.722 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000641035074 730193546 /nfs/dbraw/zinc/19/35/46/730193546.db2.gz YEMJOAJXITZKDN-JLAWEPINSA-N 1 3 350.551 2.671 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814652 730764308 /nfs/dbraw/zinc/76/43/08/730764308.db2.gz XVBQFMQZWZQKBU-UHFFFAOYSA-N 1 3 351.878 2.894 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000647814652 730764311 /nfs/dbraw/zinc/76/43/11/730764311.db2.gz XVBQFMQZWZQKBU-UHFFFAOYSA-N 1 3 351.878 2.894 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000647814652 730764313 /nfs/dbraw/zinc/76/43/13/730764313.db2.gz XVBQFMQZWZQKBU-UHFFFAOYSA-N 1 3 351.878 2.894 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647936326 730775779 /nfs/dbraw/zinc/77/57/79/730775779.db2.gz BKYLLKXLZQEIMG-WFASDCNBSA-N 1 3 354.292 2.837 20 0 FFADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2cc3ccccc3s2)CC1 ZINC000863642519 730798414 /nfs/dbraw/zinc/79/84/14/730798414.db2.gz QUKHKVWJPBRLJQ-DLBZAZTESA-N 1 3 357.479 2.658 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](N[C@H]3CCc4cc(F)c(F)c(F)c43)C2)CC1 ZINC000648450491 730809928 /nfs/dbraw/zinc/80/99/28/730809928.db2.gz OUYJNFZOGNJCBO-CJNGLKHVSA-N 1 3 353.432 2.849 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649293725 730875202 /nfs/dbraw/zinc/87/52/02/730875202.db2.gz GSHMQIMNZBXLKD-IRXDYDNUSA-N 1 3 351.441 2.575 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000650707554 731021891 /nfs/dbraw/zinc/02/18/91/731021891.db2.gz INYJGCUGLRJZOD-RKVPGOIHSA-N 1 3 358.511 2.923 20 0 FFADHO CCN(CC)c1ncc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650721765 731022952 /nfs/dbraw/zinc/02/29/52/731022952.db2.gz AKSANBVGEXQKKD-USXIJHARSA-N 1 3 352.548 2.850 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnccc3SC)CC2)CC1 ZINC000654862971 731403882 /nfs/dbraw/zinc/40/38/82/731403882.db2.gz JBTQXUHNLFYUBM-UHFFFAOYSA-N 1 3 362.543 2.938 20 0 FFADHO CN(C)S(=O)(=O)c1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925681583 738522952 /nfs/dbraw/zinc/52/29/52/738522952.db2.gz PCXNHOVDNVTLNZ-LJQANCHMSA-N 1 3 361.511 2.507 20 0 FFADHO CN(C)[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655692305 731499219 /nfs/dbraw/zinc/49/92/19/731499219.db2.gz SWUPXBUQPHXAHG-VQIMIIECSA-N 1 3 351.922 2.786 20 0 FFADHO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1OC ZINC000925782466 738529475 /nfs/dbraw/zinc/52/94/75/738529475.db2.gz LSTVOFAZRBLRLE-UKRRQHHQSA-N 1 3 358.429 2.616 20 0 FFADHO C[C@@H](NCCCCCN1CC[NH2+]CC1)c1nc(Br)cs1 ZINC000925840534 738535351 /nfs/dbraw/zinc/53/53/51/738535351.db2.gz IJBKTIZIHYMOQR-GFCCVEGCSA-N 1 3 361.353 2.632 20 0 FFADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)cs1 ZINC000925849627 738536530 /nfs/dbraw/zinc/53/65/30/738536530.db2.gz JMWIQVBOKCQSAX-ZYHUDNBSSA-N 1 3 373.316 2.847 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000873012699 731863707 /nfs/dbraw/zinc/86/37/07/731863707.db2.gz VXVBJXPGROMMRD-UHFFFAOYSA-N 1 3 360.365 2.936 20 0 FFADHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000659625314 731992698 /nfs/dbraw/zinc/99/26/98/731992698.db2.gz RJXIAPCCLXYMMP-QGZVFWFLSA-N 1 3 354.926 2.787 20 0 FFADHO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660662121 732131327 /nfs/dbraw/zinc/13/13/27/732131327.db2.gz IFPKHLQCZQOPQU-VQIMIIECSA-N 1 3 350.528 2.566 20 0 FFADHO CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660662121 732131330 /nfs/dbraw/zinc/13/13/30/732131330.db2.gz IFPKHLQCZQOPQU-VQIMIIECSA-N 1 3 350.528 2.566 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000876730283 732273100 /nfs/dbraw/zinc/27/31/00/732273100.db2.gz FHPQDLRZBZKKII-INIZCTEOSA-N 1 3 362.543 2.619 20 0 FFADHO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000876879630 732291148 /nfs/dbraw/zinc/29/11/48/732291148.db2.gz LUVFXTRCJQLJCF-WMZOPIPTSA-N 1 3 367.896 2.712 20 0 FFADHO COc1ccc(Br)cc1C1(NC[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662284513 732293054 /nfs/dbraw/zinc/29/30/54/732293054.db2.gz WHHBUSAURSEUPT-CYBMUJFWSA-N 1 3 367.287 2.557 20 0 FFADHO COCCN(Cc1ccc(C(=O)OC)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000877664594 732408493 /nfs/dbraw/zinc/40/84/93/732408493.db2.gz SEZITQUCTQJAOR-UHFFFAOYSA-N 1 3 368.905 2.917 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000663450869 732443812 /nfs/dbraw/zinc/44/38/12/732443812.db2.gz MYJNCZRAHOIFGB-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000663450869 732443814 /nfs/dbraw/zinc/44/38/14/732443814.db2.gz MYJNCZRAHOIFGB-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000664383780 732577272 /nfs/dbraw/zinc/57/72/72/732577272.db2.gz ATXDSKFHFXUXRL-JKSUJKDBSA-N 1 3 352.498 2.766 20 0 FFADHO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000664383780 732577275 /nfs/dbraw/zinc/57/72/75/732577275.db2.gz ATXDSKFHFXUXRL-JKSUJKDBSA-N 1 3 352.498 2.766 20 0 FFADHO C[NH+]1CCC2(CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)CC1 ZINC000879249080 732672538 /nfs/dbraw/zinc/67/25/38/732672538.db2.gz DSIYBIZCCGSZOM-UHFFFAOYSA-N 1 3 360.889 2.656 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2csc(C(C)C)n2)CC1 ZINC000665287306 732687223 /nfs/dbraw/zinc/68/72/23/732687223.db2.gz HUCPGHLPHOFVAX-CQSZACIVSA-N 1 3 352.548 2.908 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000665760585 732752394 /nfs/dbraw/zinc/75/23/94/732752394.db2.gz KWTKAMXREZSKQE-KKUMJFAQSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000665760585 732752398 /nfs/dbraw/zinc/75/23/98/732752398.db2.gz KWTKAMXREZSKQE-KKUMJFAQSA-N 1 3 366.472 2.631 20 0 FFADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1SC ZINC000667224441 732969076 /nfs/dbraw/zinc/96/90/76/732969076.db2.gz JKLRKUVUAQEHRA-AWEZNQCLSA-N 1 3 368.547 2.811 20 0 FFADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1SC ZINC000667224441 732969080 /nfs/dbraw/zinc/96/90/80/732969080.db2.gz JKLRKUVUAQEHRA-AWEZNQCLSA-N 1 3 368.547 2.811 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)c2cccs2)CC1 ZINC000668644754 733149201 /nfs/dbraw/zinc/14/92/01/733149201.db2.gz UYNFXEGWKPSJAW-LPHOPBHVSA-N 1 3 364.559 2.901 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCN(C)C1 ZINC000892513050 734568400 /nfs/dbraw/zinc/56/84/00/734568400.db2.gz ZAAJEQKVCGJBIL-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCN(C)C1 ZINC000892513050 734568402 /nfs/dbraw/zinc/56/84/02/734568402.db2.gz ZAAJEQKVCGJBIL-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000733753108 734846612 /nfs/dbraw/zinc/84/66/12/734846612.db2.gz GGANLNRWYIVPTB-IAGOWNOFSA-N 1 3 352.592 2.542 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000733753108 734846617 /nfs/dbraw/zinc/84/66/17/734846617.db2.gz GGANLNRWYIVPTB-IAGOWNOFSA-N 1 3 352.592 2.542 20 0 FFADHO C[N@H+](CCCCNCc1sc(N2CCOCC2)nc1Cl)C1CC1 ZINC000894968049 734945619 /nfs/dbraw/zinc/94/56/19/734945619.db2.gz SWKUIRMVFQEUPM-UHFFFAOYSA-N 1 3 358.939 2.597 20 0 FFADHO C[N@@H+](CCCCNCc1sc(N2CCOCC2)nc1Cl)C1CC1 ZINC000894968049 734945621 /nfs/dbraw/zinc/94/56/21/734945621.db2.gz SWKUIRMVFQEUPM-UHFFFAOYSA-N 1 3 358.939 2.597 20 0 FFADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903132654 736037988 /nfs/dbraw/zinc/03/79/88/736037988.db2.gz VGQANZBFCQTXAF-LBPRGKRZSA-N 1 3 362.417 2.893 20 0 FFADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903132654 736037992 /nfs/dbraw/zinc/03/79/92/736037992.db2.gz VGQANZBFCQTXAF-LBPRGKRZSA-N 1 3 362.417 2.893 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496556 736102281 /nfs/dbraw/zinc/10/22/81/736102281.db2.gz SHFKAKBOMSKFQK-HZSPNIEDSA-N 1 3 353.894 2.901 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN(C)CCOc2cccc(Cl)c2)cnn1C ZINC000903878811 736182350 /nfs/dbraw/zinc/18/23/50/736182350.db2.gz ZQTCPUDXJVEDHJ-OAHLLOKOSA-N 1 3 350.894 2.510 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCC2)[C@H]1c1cccs1 ZINC000905135900 736301246 /nfs/dbraw/zinc/30/12/46/736301246.db2.gz XHKDGGSJWZUXSC-NUJGCVRESA-N 1 3 352.544 2.777 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCCC2)[C@H]1c1cccs1 ZINC000905135900 736301250 /nfs/dbraw/zinc/30/12/50/736301250.db2.gz XHKDGGSJWZUXSC-NUJGCVRESA-N 1 3 352.544 2.777 20 0 FFADHO COc1ccc(OC)c([C@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000767001180 737283600 /nfs/dbraw/zinc/28/36/00/737283600.db2.gz KEINMPCDXGUWNQ-LJQANCHMSA-N 1 3 350.503 2.791 20 0 FFADHO CCCCOC[C@H](O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923340427 738273848 /nfs/dbraw/zinc/27/38/48/738273848.db2.gz DNTLQCWCNRSWRA-QZTJIDSGSA-N 1 3 352.544 2.870 20 0 FFADHO FC(F)(F)c1csc([C@H]2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000923370375 738276816 /nfs/dbraw/zinc/27/68/16/738276816.db2.gz GBONAHBRGXDSQG-NWDGAFQWSA-N 1 3 361.433 2.720 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccc(Br)cc1 ZINC000923503152 738292730 /nfs/dbraw/zinc/29/27/30/738292730.db2.gz HDBVXWUEOJZKLN-KCQAQPDRSA-N 1 3 368.319 2.543 20 0 FFADHO C[NH+]1CCC(CNC(=O)Nc2cncc(Cl)c2)(N2CCCCC2)CC1 ZINC000932117353 739390152 /nfs/dbraw/zinc/39/01/52/739390152.db2.gz QZFVUHFLBFDUIS-UHFFFAOYSA-N 1 3 365.909 2.807 20 0 FFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000796295848 740128375 /nfs/dbraw/zinc/12/83/75/740128375.db2.gz BQLQVUZJABVRKU-CQSZACIVSA-N 1 3 371.312 2.968 20 0 FFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1c(Cl)nc2cc(Cl)ccn21 ZINC000796295848 740128378 /nfs/dbraw/zinc/12/83/78/740128378.db2.gz BQLQVUZJABVRKU-CQSZACIVSA-N 1 3 371.312 2.968 20 0 FFADHO Cc1ncsc1CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866968 740724440 /nfs/dbraw/zinc/72/44/40/740724440.db2.gz PDLVVRWLVPBOKZ-BRWVUGGUSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ncsc1CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866968 740724444 /nfs/dbraw/zinc/72/44/44/740724444.db2.gz PDLVVRWLVPBOKZ-BRWVUGGUSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3c(F)cccc3Cl)C2)CC[N@@H+]1C ZINC000983705677 741252220 /nfs/dbraw/zinc/25/22/20/741252220.db2.gz YINXMFZFMCISOD-KBUPBQIOSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3c(F)cccc3Cl)C2)CC[N@H+]1C ZINC000983705677 741252223 /nfs/dbraw/zinc/25/22/23/741252223.db2.gz YINXMFZFMCISOD-KBUPBQIOSA-N 1 3 367.896 2.804 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000810184764 741395551 /nfs/dbraw/zinc/39/55/51/741395551.db2.gz ZMOPEACAIVMYEF-LJQANCHMSA-N 1 3 351.466 2.778 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC000998793367 742045620 /nfs/dbraw/zinc/04/56/20/742045620.db2.gz HOYHYIWXYIDGGF-UNGSAITNSA-N 1 3 364.559 2.569 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3c(C)nsc3C)C2)CC[N@H+]1C ZINC000998793367 742045624 /nfs/dbraw/zinc/04/56/24/742045624.db2.gz HOYHYIWXYIDGGF-UNGSAITNSA-N 1 3 364.559 2.569 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCSC(F)(F)F)CC2)CC1 ZINC000816887289 742068923 /nfs/dbraw/zinc/06/89/23/742068923.db2.gz WBLPLPOYCCHITK-UHFFFAOYSA-N 1 3 367.481 2.552 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000817286076 742117665 /nfs/dbraw/zinc/11/76/65/742117665.db2.gz QFAUUADEDDFSAA-FQEVSTJZSA-N 1 3 365.949 2.865 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000817286076 742117670 /nfs/dbraw/zinc/11/76/70/742117670.db2.gz QFAUUADEDDFSAA-FQEVSTJZSA-N 1 3 365.949 2.865 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000817928885 742222784 /nfs/dbraw/zinc/22/27/84/742222784.db2.gz HFICEVHRTZKRIC-YYIAUSFCSA-N 1 3 353.304 2.993 20 0 FFADHO C[NH+]1CCC(NC[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000818940756 742311166 /nfs/dbraw/zinc/31/11/66/742311166.db2.gz DUQLYVUOCVTXGD-OAHLLOKOSA-N 1 3 361.711 2.994 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Br)c1 ZINC000818945771 742311635 /nfs/dbraw/zinc/31/16/35/742311635.db2.gz NYVTTYMRNYKQLT-MRXNPFEDSA-N 1 3 357.267 2.838 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1Cl ZINC000819174015 742348241 /nfs/dbraw/zinc/34/82/41/742348241.db2.gz NVHXXAMMPKPGIB-GUDVDZBRSA-N 1 3 370.896 2.870 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cc(Cl)ccc3F)C2)CC[N@@H+]1C ZINC001022109177 742644477 /nfs/dbraw/zinc/64/44/77/742644477.db2.gz IFVKQVWDNBVZBX-UIBIWLFHSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cc(Cl)ccc3F)C2)CC[N@H+]1C ZINC001022109177 742644481 /nfs/dbraw/zinc/64/44/81/742644481.db2.gz IFVKQVWDNBVZBX-UIBIWLFHSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3csc(C)n3)C2)CC[N@@H+]1C ZINC001023996392 742717859 /nfs/dbraw/zinc/71/78/59/742717859.db2.gz XJFIECONOYCBJM-BPQIPLTHSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3csc(C)n3)C2)CC[N@H+]1C ZINC001023996392 742717864 /nfs/dbraw/zinc/71/78/64/742717864.db2.gz XJFIECONOYCBJM-BPQIPLTHSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2CCCc2ccsc2)CC[N@@H+]1C ZINC001024446724 742726546 /nfs/dbraw/zinc/72/65/46/742726546.db2.gz IJYICIFSWFKZEC-BHIYHBOVSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2CCCc2ccsc2)CC[N@H+]1C ZINC001024446724 742726547 /nfs/dbraw/zinc/72/65/47/742726547.db2.gz IJYICIFSWFKZEC-BHIYHBOVSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cccc(Cl)c2F)CC[N@@H+]1C ZINC001034940066 742936401 /nfs/dbraw/zinc/93/64/01/742936401.db2.gz VUECOCRRINGNRF-FVQBIDKESA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cccc(Cl)c2F)CC[N@H+]1C ZINC001034940066 742936407 /nfs/dbraw/zinc/93/64/07/742936407.db2.gz VUECOCRRINGNRF-FVQBIDKESA-N 1 3 367.896 2.900 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000831412403 745525911 /nfs/dbraw/zinc/52/59/11/745525911.db2.gz RWROMVUWCJSGNN-INIZCTEOSA-N 1 3 357.420 2.723 20 0 FFADHO Clc1nc2ccccn2c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000850344678 749346445 /nfs/dbraw/zinc/34/64/45/749346445.db2.gz SDBBELLCSIWNFK-UHFFFAOYSA-N 1 3 362.905 2.968 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000852899294 749971210 /nfs/dbraw/zinc/97/12/10/749971210.db2.gz GRAASTAPNJRXOY-PMPSAXMXSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000852899294 749971211 /nfs/dbraw/zinc/97/12/11/749971211.db2.gz GRAASTAPNJRXOY-PMPSAXMXSA-N 1 3 350.894 2.566 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000648753963 1013050727 /nfs/dbraw/zinc/05/07/27/1013050727.db2.gz PKLULOWQNMPKLQ-RHSMWYFYSA-N 1 3 371.447 2.936 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000648753963 1013050736 /nfs/dbraw/zinc/05/07/36/1013050736.db2.gz PKLULOWQNMPKLQ-RHSMWYFYSA-N 1 3 371.447 2.936 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2csc(C)c2)C1 ZINC001104812443 970888498 /nfs/dbraw/zinc/88/84/98/970888498.db2.gz PCURXQHGQXXQBA-CRAIPNDOSA-N 1 3 351.560 2.973 20 0 FFADHO Cc1nc([C@@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)no1 ZINC000896238845 971369755 /nfs/dbraw/zinc/36/97/55/971369755.db2.gz GOXUKXQDJOEPMC-GOSISDBHSA-N 1 3 356.470 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3oc(C)nc3C)CC2)CC[N@@H+]1C ZINC001026496969 971608375 /nfs/dbraw/zinc/60/83/75/971608375.db2.gz DSZRTJAYZVITJU-ZGUYJTEBSA-N 1 3 362.518 2.539 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3oc(C)nc3C)CC2)CC[N@H+]1C ZINC001026496969 971608382 /nfs/dbraw/zinc/60/83/82/971608382.db2.gz DSZRTJAYZVITJU-ZGUYJTEBSA-N 1 3 362.518 2.539 20 0 FFADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000651477408 971664412 /nfs/dbraw/zinc/66/44/12/971664412.db2.gz IJSUJZSFJNWQKH-YMQHIKHWSA-N 1 3 355.526 2.921 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087986666 971679790 /nfs/dbraw/zinc/67/97/90/971679790.db2.gz WFIXKXNOIIXZPY-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087986666 971679795 /nfs/dbraw/zinc/67/97/95/971679795.db2.gz WFIXKXNOIIXZPY-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087999547 971778317 /nfs/dbraw/zinc/77/83/17/971778317.db2.gz QKFJTRXCLODDPZ-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087999547 971778324 /nfs/dbraw/zinc/77/83/24/971778324.db2.gz QKFJTRXCLODDPZ-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088002624 971791345 /nfs/dbraw/zinc/79/13/45/971791345.db2.gz NEJWFKBJVUXHTR-HKBOAZHASA-N 1 3 357.542 2.596 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088002624 971791354 /nfs/dbraw/zinc/79/13/54/971791354.db2.gz NEJWFKBJVUXHTR-HKBOAZHASA-N 1 3 357.542 2.596 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3cccs3)CC[C@@H]2C1)N(C)C ZINC001088002597 971791457 /nfs/dbraw/zinc/79/14/57/971791457.db2.gz LNZVSYKIEOMJGG-AOIWGVFYSA-N 1 3 363.571 2.657 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3cccs3)CC[C@@H]2C1)N(C)C ZINC001088002597 971791462 /nfs/dbraw/zinc/79/14/62/971791462.db2.gz LNZVSYKIEOMJGG-AOIWGVFYSA-N 1 3 363.571 2.657 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000652131910 972269577 /nfs/dbraw/zinc/26/95/77/972269577.db2.gz TXCRDYJCVCTDJL-LJQANCHMSA-N 1 3 370.472 2.748 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N(C)Cc1ccccc1 ZINC000660635748 972398762 /nfs/dbraw/zinc/39/87/62/972398762.db2.gz KHUMIKCEXKYOOX-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N(C)Cc1ccccc1 ZINC000660635748 972398768 /nfs/dbraw/zinc/39/87/68/972398768.db2.gz KHUMIKCEXKYOOX-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000654996895 959255851 /nfs/dbraw/zinc/25/58/51/959255851.db2.gz JKUMMCZZQMYFML-BVOGOJNSSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000654996895 959255868 /nfs/dbraw/zinc/25/58/68/959255868.db2.gz JKUMMCZZQMYFML-BVOGOJNSSA-N 1 3 355.526 2.745 20 0 FFADHO CC[C@@H]1CO[C@@H](CC)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655163836 959556055 /nfs/dbraw/zinc/55/60/55/959556055.db2.gz ZBWOZUWBCZWCLN-QUCCMNQESA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC000969689299 959766348 /nfs/dbraw/zinc/76/63/48/959766348.db2.gz IHRUTXBBDBLMPV-URZJWIJPSA-N 1 3 369.553 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC000969689299 959766360 /nfs/dbraw/zinc/76/63/60/959766360.db2.gz IHRUTXBBDBLMPV-URZJWIJPSA-N 1 3 369.553 2.842 20 0 FFADHO FC(F)(F)c1cccc(OCCNC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000655738240 961210861 /nfs/dbraw/zinc/21/08/61/961210861.db2.gz UQEJDUZNZYBQFK-OAHLLOKOSA-N 1 3 373.419 2.712 20 0 FFADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)Cc2ccccc2C1 ZINC000649281517 1013320132 /nfs/dbraw/zinc/32/01/32/1013320132.db2.gz PLDBWJPPODXMEM-UHFFFAOYSA-N 1 3 363.505 2.785 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001095424626 1013333930 /nfs/dbraw/zinc/33/39/30/1013333930.db2.gz XRPXHNSZMOSEGO-MLNNCEHLSA-N 1 3 367.537 2.867 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000649344717 1013362900 /nfs/dbraw/zinc/36/29/00/1013362900.db2.gz NNBIXMLMTBKBIG-ZBYYUNFXSA-N 1 3 363.505 2.613 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001095439939 1013380189 /nfs/dbraw/zinc/38/01/89/1013380189.db2.gz LYSKFFQCRIGLQX-IFLJBQAJSA-N 1 3 355.526 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C)cc2)CC[N@H+]1C ZINC001095439939 1013380203 /nfs/dbraw/zinc/38/02/03/1013380203.db2.gz LYSKFFQCRIGLQX-IFLJBQAJSA-N 1 3 355.526 2.947 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000649373462 1013384413 /nfs/dbraw/zinc/38/44/13/1013384413.db2.gz ZXQYFXJTFOIBGI-FQEVSTJZSA-N 1 3 370.541 2.622 20 0 FFADHO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873247182 1013447355 /nfs/dbraw/zinc/44/73/55/1013447355.db2.gz JGIGHDFTJOATFE-AWEZNQCLSA-N 1 3 364.453 2.535 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2nc(-c3ccncc3)cs2)CC[NH2+]CC1 ZINC000873283021 1013459831 /nfs/dbraw/zinc/45/98/31/1013459831.db2.gz MQHOKTVHDHPECT-CQSZACIVSA-N 1 3 374.510 2.616 20 0 FFADHO CC(C)Oc1ccccc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261862007 964060168 /nfs/dbraw/zinc/06/01/68/964060168.db2.gz NGTANNYYXXYRGB-PKOBYXMFSA-N 1 3 359.514 2.554 20 0 FFADHO Nc1ccnc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000891448089 964187447 /nfs/dbraw/zinc/18/74/47/964187447.db2.gz FKTYDSOIWRQLHH-IBGZPJMESA-N 1 3 353.470 2.518 20 0 FFADHO Nc1ccnc(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000891448089 964187452 /nfs/dbraw/zinc/18/74/52/964187452.db2.gz FKTYDSOIWRQLHH-IBGZPJMESA-N 1 3 353.470 2.518 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000891534681 964440562 /nfs/dbraw/zinc/44/05/62/964440562.db2.gz OPILXKHRAQSRMX-UXHICEINSA-N 1 3 360.546 2.533 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001110188661 1013541092 /nfs/dbraw/zinc/54/10/92/1013541092.db2.gz LHEDXFGQUQNZIS-HOJAQTOUSA-N 1 3 363.546 2.543 20 0 FFADHO CCC[N@H+](C[C@@H](O)CN1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000728388486 965171164 /nfs/dbraw/zinc/17/11/64/965171164.db2.gz ZOZLPYGUSXBZGJ-VXKWHMMOSA-N 1 3 359.558 2.820 20 0 FFADHO CCC[N@@H+](C[C@@H](O)CN1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000728388486 965171169 /nfs/dbraw/zinc/17/11/69/965171169.db2.gz ZOZLPYGUSXBZGJ-VXKWHMMOSA-N 1 3 359.558 2.820 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000892019868 965820358 /nfs/dbraw/zinc/82/03/58/965820358.db2.gz OYMCUUWZNPVTDY-IBGZPJMESA-N 1 3 356.514 2.531 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000664909835 965978122 /nfs/dbraw/zinc/97/81/22/965978122.db2.gz AVYICSTZGJLWEN-YSIASYRMSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000664909835 965978132 /nfs/dbraw/zinc/97/81/32/965978132.db2.gz AVYICSTZGJLWEN-YSIASYRMSA-N 1 3 358.530 2.775 20 0 FFADHO c1nc2n(c1C[NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CCC2 ZINC000657315132 966092293 /nfs/dbraw/zinc/09/22/93/966092293.db2.gz LSTLAAXUSOGRHR-UHFFFAOYSA-N 1 3 367.541 2.517 20 0 FFADHO COC[C@@H](C)Oc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000657363737 966298427 /nfs/dbraw/zinc/29/84/27/966298427.db2.gz BAMWOAYWKJLREJ-IEBWSBKVSA-N 1 3 362.514 2.691 20 0 FFADHO CN(CCO)Cc1cc(NCc2ccnn2-c2cc[nH+]cc2)ccc1Cl ZINC000657454574 966609691 /nfs/dbraw/zinc/60/96/91/966609691.db2.gz AHVYMEDOEADVOT-UHFFFAOYSA-N 1 3 371.872 2.957 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001087213798 966623592 /nfs/dbraw/zinc/62/35/92/966623592.db2.gz OFEZEYRBUIMHCM-PVAVHDDUSA-N 1 3 366.937 2.792 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCCN2Cc2cncs2)CC[N@@H+]1C ZINC001267167961 966826230 /nfs/dbraw/zinc/82/62/30/966826230.db2.gz LFYXTXOJLQAFNC-BPQIPLTHSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCCN2Cc2cncs2)CC[N@H+]1C ZINC001267167961 966826239 /nfs/dbraw/zinc/82/62/39/966826239.db2.gz LFYXTXOJLQAFNC-BPQIPLTHSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCCN(CCF)CC3)CC2)CC[N@@H+]1C ZINC001075454079 966848246 /nfs/dbraw/zinc/84/82/46/966848246.db2.gz KPGIMCBSXHIBBT-ZHALLVOQSA-N 1 3 353.526 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCCN(CCF)CC3)CC2)CC[N@H+]1C ZINC001075454079 966848252 /nfs/dbraw/zinc/84/82/52/966848252.db2.gz KPGIMCBSXHIBBT-ZHALLVOQSA-N 1 3 353.526 2.637 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cnc4ccc(Cl)cn34)cc2)C1 ZINC000657595301 966940556 /nfs/dbraw/zinc/94/05/56/966940556.db2.gz OMAYPGCKLBMVSX-LJQANCHMSA-N 1 3 370.884 2.844 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cnc4ccc(Cl)cn34)cc2)C1 ZINC000657595301 966940560 /nfs/dbraw/zinc/94/05/60/966940560.db2.gz OMAYPGCKLBMVSX-LJQANCHMSA-N 1 3 370.884 2.844 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000092055632 967309791 /nfs/dbraw/zinc/30/97/91/967309791.db2.gz ORLWNEXNSUQBLJ-UHFFFAOYSA-N 1 3 373.541 2.852 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785167 967325259 /nfs/dbraw/zinc/32/52/59/967325259.db2.gz UIOOWHDKSZORGE-PWRODBHTSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785167 967325268 /nfs/dbraw/zinc/32/52/68/967325268.db2.gz UIOOWHDKSZORGE-PWRODBHTSA-N 1 3 355.526 2.901 20 0 FFADHO COCCOc1ccccc1N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647989675 967433775 /nfs/dbraw/zinc/43/37/75/967433775.db2.gz WDDAFUABKWZAAT-UHFFFAOYSA-N 1 3 361.530 2.614 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001029314855 967688654 /nfs/dbraw/zinc/68/86/54/967688654.db2.gz HOEMVOBPKGVETF-IECFSIQFSA-N 1 3 369.500 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC001029314855 967688658 /nfs/dbraw/zinc/68/86/58/967688658.db2.gz HOEMVOBPKGVETF-IECFSIQFSA-N 1 3 369.500 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001023372002 967753306 /nfs/dbraw/zinc/75/33/06/967753306.db2.gz KUJBKYPUTVDGDJ-YZGWKJHDSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001023372002 967753318 /nfs/dbraw/zinc/75/33/18/967753318.db2.gz KUJBKYPUTVDGDJ-YZGWKJHDSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211615962 968027518 /nfs/dbraw/zinc/02/75/18/968027518.db2.gz OTMJGJZHVFRWGI-HBMCJLEFSA-N 1 3 357.542 2.957 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000657870005 968128346 /nfs/dbraw/zinc/12/83/46/968128346.db2.gz BPIZCIVBPRXEPD-YJBOKZPZSA-N 1 3 357.477 2.960 20 0 FFADHO C[C@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000658111279 968533885 /nfs/dbraw/zinc/53/38/85/968533885.db2.gz NJCNZNINTPQXIZ-OXJNMPFZSA-N 1 3 367.493 2.865 20 0 FFADHO CCCCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167694 968990955 /nfs/dbraw/zinc/99/09/55/968990955.db2.gz ZLFGEGBTDYLXKK-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@H]3CCC(F)(F)C3)CC2)CC1 ZINC000892522276 969352953 /nfs/dbraw/zinc/35/29/53/969352953.db2.gz VZUZUULZIHYLIP-HNNXBMFYSA-N 1 3 372.504 2.670 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000659022599 969636238 /nfs/dbraw/zinc/63/62/38/969636238.db2.gz BCXJFPGFYOEEKD-UHFFFAOYSA-N 1 3 367.497 2.882 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659036647 969648951 /nfs/dbraw/zinc/64/89/51/969648951.db2.gz SADSVEMYUBPRMQ-LPHOPBHVSA-N 1 3 360.502 2.543 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659036647 969648958 /nfs/dbraw/zinc/64/89/58/969648958.db2.gz SADSVEMYUBPRMQ-LPHOPBHVSA-N 1 3 360.502 2.543 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000647551911 969695437 /nfs/dbraw/zinc/69/54/37/969695437.db2.gz VLGFBTBAYSAFOK-YLJYHZDGSA-N 1 3 358.486 2.707 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)c2ccccc2O1 ZINC000659286291 969799448 /nfs/dbraw/zinc/79/94/48/969799448.db2.gz XDXQIAAZPOIINU-WMZOPIPTSA-N 1 3 351.450 2.577 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351856 969846045 /nfs/dbraw/zinc/84/60/45/969846045.db2.gz SIRRRTWNRAOGIU-UFYCRDLUSA-N 1 3 353.441 2.622 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000659518273 970000645 /nfs/dbraw/zinc/00/06/45/970000645.db2.gz VRGIIMXPADCONJ-HXUWFJFHSA-N 1 3 373.545 2.500 20 0 FFADHO CN(C)CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCC1 ZINC000659580289 970051359 /nfs/dbraw/zinc/05/13/59/970051359.db2.gz PXGUHMWPLRRLEM-WOJBJXKFSA-N 1 3 358.530 2.648 20 0 FFADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000659591586 970059669 /nfs/dbraw/zinc/05/96/69/970059669.db2.gz LPKNGGSCORCTCJ-PMACEKPBSA-N 1 3 374.504 2.541 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2cnc(C)o2)C1)[NH+](CC)CC ZINC001104666189 970064215 /nfs/dbraw/zinc/06/42/15/970064215.db2.gz NNPGKDJOZKLGFN-SZVBFZGTSA-N 1 3 364.534 2.678 20 0 FFADHO CCCN(C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659617454 970078083 /nfs/dbraw/zinc/07/80/83/970078083.db2.gz UWAVXNUCEPATFE-SNCIUUNGSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001104728943 970181528 /nfs/dbraw/zinc/18/15/28/970181528.db2.gz IXOYTFJRDNBJFF-OXQOHEQNSA-N 1 3 366.509 2.715 20 0 FFADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000665365205 970376378 /nfs/dbraw/zinc/37/63/78/970376378.db2.gz KKHIFJBCEQSPTQ-OAQYLSRUSA-N 1 3 371.525 2.656 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665366632 970398517 /nfs/dbraw/zinc/39/85/17/970398517.db2.gz DNOUNUYDLHWZOF-SFHVURJKSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000312737037 970518590 /nfs/dbraw/zinc/51/85/90/970518590.db2.gz XENKKJSFYKGBMF-PKOBYXMFSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000312737037 970518602 /nfs/dbraw/zinc/51/86/02/970518602.db2.gz XENKKJSFYKGBMF-PKOBYXMFSA-N 1 3 362.481 2.835 20 0 FFADHO COc1ccc(CN2CC[C@H](N3CCC(C[N@H+](C)C(C)C)CC3)C2=O)cc1 ZINC000659876288 970708098 /nfs/dbraw/zinc/70/80/98/970708098.db2.gz DIGHPDDQZVFYIH-NRFANRHFSA-N 1 3 373.541 2.848 20 0 FFADHO COc1ccc(CN2CC[C@H](N3CCC(C[N@@H+](C)C(C)C)CC3)C2=O)cc1 ZINC000659876288 970708102 /nfs/dbraw/zinc/70/81/02/970708102.db2.gz DIGHPDDQZVFYIH-NRFANRHFSA-N 1 3 373.541 2.848 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106523 972826423 /nfs/dbraw/zinc/82/64/23/972826423.db2.gz FQZYMXVEKMDHDP-FCEUIQTBSA-N 1 3 369.553 2.660 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106523 972826432 /nfs/dbraw/zinc/82/64/32/972826432.db2.gz FQZYMXVEKMDHDP-FCEUIQTBSA-N 1 3 369.553 2.660 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1 ZINC001088121582 972921875 /nfs/dbraw/zinc/92/18/75/972921875.db2.gz NESORWZWVUDUDM-UXHICEINSA-N 1 3 366.509 2.538 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1 ZINC001088121582 972921886 /nfs/dbraw/zinc/92/18/86/972921886.db2.gz NESORWZWVUDUDM-UXHICEINSA-N 1 3 366.509 2.538 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088129748 972976516 /nfs/dbraw/zinc/97/65/16/972976516.db2.gz DCGCBQQDCZNPMX-FQWXFLRYSA-N 1 3 353.938 2.782 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088129748 972976526 /nfs/dbraw/zinc/97/65/26/972976526.db2.gz DCGCBQQDCZNPMX-FQWXFLRYSA-N 1 3 353.938 2.782 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC(F)(F)C4)CC[C@@H]3C2)CC1 ZINC001088150541 973173177 /nfs/dbraw/zinc/17/31/77/973173177.db2.gz JRXRFCNZMGPPOD-MSOLQXFVSA-N 1 3 369.500 2.544 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC(F)(F)C4)CC[C@@H]3C2)CC1 ZINC001088150541 973173180 /nfs/dbraw/zinc/17/31/80/973173180.db2.gz JRXRFCNZMGPPOD-MSOLQXFVSA-N 1 3 369.500 2.544 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660938284 973206463 /nfs/dbraw/zinc/20/64/63/973206463.db2.gz KNBWOTIMMXTIFV-VQIMIIECSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660938284 973206474 /nfs/dbraw/zinc/20/64/74/973206474.db2.gz KNBWOTIMMXTIFV-VQIMIIECSA-N 1 3 373.545 2.779 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088211068 973665041 /nfs/dbraw/zinc/66/50/41/973665041.db2.gz PDDAXOHRUGWBQW-QUCCMNQESA-N 1 3 355.526 2.942 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088211068 973665048 /nfs/dbraw/zinc/66/50/48/973665048.db2.gz PDDAXOHRUGWBQW-QUCCMNQESA-N 1 3 355.526 2.942 20 0 FFADHO COC(=O)CO[C@H]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066531 973897038 /nfs/dbraw/zinc/89/70/38/973897038.db2.gz PZAGRNOGXUQOLQ-ZWOKBUDYSA-N 1 3 360.498 2.692 20 0 FFADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000909597748 974162458 /nfs/dbraw/zinc/16/24/58/974162458.db2.gz AZFFZTLUXFATLG-HUUCEWRRSA-N 1 3 374.403 2.979 20 0 FFADHO Cc1nsc(C)c1CN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001481350591 974296584 /nfs/dbraw/zinc/29/65/84/974296584.db2.gz MVHDTPREQUQFIL-NVXWUHKLSA-N 1 3 366.575 2.817 20 0 FFADHO Cc1nsc(C)c1CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001481350591 974296589 /nfs/dbraw/zinc/29/65/89/974296589.db2.gz MVHDTPREQUQFIL-NVXWUHKLSA-N 1 3 366.575 2.817 20 0 FFADHO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662881759 974459884 /nfs/dbraw/zinc/45/98/84/974459884.db2.gz BBHZLZFRTOOSHM-HXUWFJFHSA-N 1 3 369.465 2.540 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3CCC[NH3+])cc2)CC1 ZINC000662895482 974528623 /nfs/dbraw/zinc/52/86/23/974528623.db2.gz ZJNWIZJBMHXXAS-WIYYLYMNSA-N 1 3 372.557 2.808 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)CCN1Cc1ccccc1 ZINC000652192514 974690447 /nfs/dbraw/zinc/69/04/47/974690447.db2.gz CTKXIUHIUWAHJX-MGPUTAFESA-N 1 3 370.472 2.747 20 0 FFADHO CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000662006294 975087719 /nfs/dbraw/zinc/08/77/19/975087719.db2.gz AQOGSLINYMAKHP-HXUWFJFHSA-N 1 3 358.530 2.860 20 0 FFADHO C[C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000424029924 975365238 /nfs/dbraw/zinc/36/52/38/975365238.db2.gz PZHQHHJCGVZMSB-XMSQKQJNSA-N 1 3 355.526 2.684 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000662293287 975408899 /nfs/dbraw/zinc/40/88/99/975408899.db2.gz FUNWVWKAZOXARL-FPOVZHCZSA-N 1 3 355.526 2.892 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000662295411 975410667 /nfs/dbraw/zinc/41/06/67/975410667.db2.gz QZOHVPYTMCKJSM-MYZSEDEFSA-N 1 3 359.558 2.783 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000662296867 975413568 /nfs/dbraw/zinc/41/35/68/975413568.db2.gz NZTSREFDCCSQMG-IFMALSPDSA-N 1 3 355.526 2.966 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662528641 975694122 /nfs/dbraw/zinc/69/41/22/975694122.db2.gz CJLGWBRMOSGDNX-IBGZPJMESA-N 1 3 366.509 2.664 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596223 975729275 /nfs/dbraw/zinc/72/92/75/975729275.db2.gz HOIJKDANEOINCM-LEWJYISDSA-N 1 3 370.541 2.532 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662673494 975806329 /nfs/dbraw/zinc/80/63/29/975806329.db2.gz LLHTXCIZUWHYBV-SFHVURJKSA-N 1 3 369.431 2.571 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000663443229 975903523 /nfs/dbraw/zinc/90/35/23/975903523.db2.gz CUWXIFYILLDKPS-RTWAWAEBSA-N 1 3 372.557 2.581 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000663443229 975903538 /nfs/dbraw/zinc/90/35/38/975903538.db2.gz CUWXIFYILLDKPS-RTWAWAEBSA-N 1 3 372.557 2.581 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC23CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC000893621098 976047473 /nfs/dbraw/zinc/04/74/73/976047473.db2.gz JYZSLKWOXZLRRM-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001167828150 976160765 /nfs/dbraw/zinc/16/07/65/976160765.db2.gz WTGIHSBQVNDNDD-PZJWPPBQSA-N 1 3 367.578 2.846 20 0 FFADHO Cc1ccccc1CCCN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196666 976320614 /nfs/dbraw/zinc/32/06/14/976320614.db2.gz QFGKDGIHJQLQJE-TZIWHRDSSA-N 1 3 357.542 2.802 20 0 FFADHO Cc1ccccc1CCCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981196666 976320627 /nfs/dbraw/zinc/32/06/27/976320627.db2.gz QFGKDGIHJQLQJE-TZIWHRDSSA-N 1 3 357.542 2.802 20 0 FFADHO CCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC)[C@@H]1CCN(C)C1 ZINC000663621490 976475264 /nfs/dbraw/zinc/47/52/64/976475264.db2.gz DQKNKYKKLWMVTL-UXHICEINSA-N 1 3 360.546 2.675 20 0 FFADHO COc1ccc([C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000876711096 1014359480 /nfs/dbraw/zinc/35/94/80/1014359480.db2.gz TVVJGBMRDMVYKC-KZTOGPNZSA-N 1 3 371.525 2.894 20 0 FFADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667792576 977035249 /nfs/dbraw/zinc/03/52/49/977035249.db2.gz CWHDCCGIXPOOPF-YADHBBJMSA-N 1 3 357.542 2.742 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1cnc2c(c1)CNCC2)[NH+](C)C ZINC000667802449 977058323 /nfs/dbraw/zinc/05/83/23/977058323.db2.gz RAMRNQAVHFGMJQ-QRWLVFNGSA-N 1 3 367.497 2.849 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCN(C)Cc1ccccc1 ZINC000876738118 1014369927 /nfs/dbraw/zinc/36/99/27/1014369927.db2.gz YVHIUSUWVKTATM-UHFFFAOYSA-N 1 3 372.538 2.780 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3c(cnn3C)c2)CC1 ZINC000876778431 1014388780 /nfs/dbraw/zinc/38/87/80/1014388780.db2.gz DZQWBAQZIXRRIY-UHFFFAOYSA-N 1 3 359.518 2.539 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3c(cnn3C)c2)CC1 ZINC000876778431 1014388792 /nfs/dbraw/zinc/38/87/92/1014388792.db2.gz DZQWBAQZIXRRIY-UHFFFAOYSA-N 1 3 359.518 2.539 20 0 FFADHO COc1cc2c(c(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000261679646 977498749 /nfs/dbraw/zinc/49/87/49/977498749.db2.gz AGKHZRDINYPASB-ZACQAIPSSA-N 1 3 362.514 2.998 20 0 FFADHO N[C@H](CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC000237883607 977503655 /nfs/dbraw/zinc/50/36/55/977503655.db2.gz PARYRZVUYXVYKW-RTBURBONSA-N 1 3 367.449 2.624 20 0 FFADHO COc1cc2ccnc(NCC[N@@H+]3CCN(C)C(C)(C)C3)c2cc1OC ZINC000663874836 977698792 /nfs/dbraw/zinc/69/87/92/977698792.db2.gz WGGCDRUFMIPGPJ-UHFFFAOYSA-N 1 3 358.486 2.690 20 0 FFADHO COc1cc2ccnc(NCC[N@H+]3CCN(C)C(C)(C)C3)c2cc1OC ZINC000663874836 977698795 /nfs/dbraw/zinc/69/87/95/977698795.db2.gz WGGCDRUFMIPGPJ-UHFFFAOYSA-N 1 3 358.486 2.690 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N(CCC3CC3)CC3CC3)CC2)CC1 ZINC000663877532 977705270 /nfs/dbraw/zinc/70/52/70/977705270.db2.gz YTXVNOGQVGIRDJ-UHFFFAOYSA-N 1 3 362.562 2.767 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC)CC[C@@H]2c2cccc(F)c2)CC[N@@H+]1C ZINC001087455592 977776175 /nfs/dbraw/zinc/77/61/75/977776175.db2.gz BRRRONJHSSBXRE-IYWMVGAKSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC)CC[C@@H]2c2cccc(F)c2)CC[N@H+]1C ZINC001087455592 977776181 /nfs/dbraw/zinc/77/61/81/977776181.db2.gz BRRRONJHSSBXRE-IYWMVGAKSA-N 1 3 361.505 2.850 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000152233001 977806025 /nfs/dbraw/zinc/80/60/25/977806025.db2.gz PCXAVAVPRFPMLF-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000877012389 1014448626 /nfs/dbraw/zinc/44/86/26/1014448626.db2.gz SDYDMAFVYMGFHU-CBQOVEMMSA-N 1 3 356.558 2.580 20 0 FFADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)[C@@H]1CCCc2ccccc21 ZINC001168368362 980075604 /nfs/dbraw/zinc/07/56/04/980075604.db2.gz IZOHKLGAEPGRGR-OAQYLSRUSA-N 1 3 355.526 2.687 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]4CC[C@]43C[NH3+])c2)CC1 ZINC000904421559 980276090 /nfs/dbraw/zinc/27/60/90/980276090.db2.gz JMKHHTHYTJJISI-UWJYYQICSA-N 1 3 371.529 2.564 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc2c(c1)CCC2 ZINC001088571641 981163067 /nfs/dbraw/zinc/16/30/67/981163067.db2.gz IKJPRGHEVPTVLK-HVETUWLQSA-N 1 3 367.537 2.596 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000729618689 981171634 /nfs/dbraw/zinc/17/16/34/981171634.db2.gz FHCYHBAPCGEGJV-OAQYLSRUSA-N 1 3 374.573 2.923 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000729618689 981171639 /nfs/dbraw/zinc/17/16/39/981171639.db2.gz FHCYHBAPCGEGJV-OAQYLSRUSA-N 1 3 374.573 2.923 20 0 FFADHO CC(C)(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1CCCCC1 ZINC000907287957 981224758 /nfs/dbraw/zinc/22/47/58/981224758.db2.gz KGZIICADKBAURP-HXUWFJFHSA-N 1 3 373.541 2.524 20 0 FFADHO CC(C)(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1CCCCC1 ZINC000907287957 981224762 /nfs/dbraw/zinc/22/47/62/981224762.db2.gz KGZIICADKBAURP-HXUWFJFHSA-N 1 3 373.541 2.524 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@H+]4C)[C@@H]3C2)cs1 ZINC001075906497 981278064 /nfs/dbraw/zinc/27/80/64/981278064.db2.gz NBODHQGAHFZFMJ-GBESFXJTSA-N 1 3 361.555 2.964 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cs1 ZINC001075906497 981278069 /nfs/dbraw/zinc/27/80/69/981278069.db2.gz NBODHQGAHFZFMJ-GBESFXJTSA-N 1 3 361.555 2.964 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897545832 982117646 /nfs/dbraw/zinc/11/76/46/982117646.db2.gz ULNFCSYCLQWKMT-GOSISDBHSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897545832 982117648 /nfs/dbraw/zinc/11/76/48/982117648.db2.gz ULNFCSYCLQWKMT-GOSISDBHSA-N 1 3 364.509 2.631 20 0 FFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccn1 ZINC000911142465 982156488 /nfs/dbraw/zinc/15/64/88/982156488.db2.gz ROTYTHTWWKXPCT-LJQANCHMSA-N 1 3 358.530 2.845 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659464 1014825675 /nfs/dbraw/zinc/82/56/75/1014825675.db2.gz FDTLXISECAQLEW-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000897626558 982439058 /nfs/dbraw/zinc/43/90/58/982439058.db2.gz RMMXVNIBDHTJAY-AFMYVXGZSA-N 1 3 359.514 2.867 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666923997 982922751 /nfs/dbraw/zinc/92/27/51/982922751.db2.gz WLYQUZSVGFFVHF-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666923997 982922755 /nfs/dbraw/zinc/92/27/55/982922755.db2.gz WLYQUZSVGFFVHF-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+]1CCC(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000878204165 1014912788 /nfs/dbraw/zinc/91/27/88/1014912788.db2.gz JKTAENWSCSODQX-NRFANRHFSA-N 1 3 351.494 2.770 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000668899984 983916712 /nfs/dbraw/zinc/91/67/12/983916712.db2.gz ZCBMKRKPCTTXPH-IEBWSBKVSA-N 1 3 362.518 2.519 20 0 FFADHO COC(=O)[C@H]1C[N@@H+](C2CCN(CC3CC3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC001168389586 984444669 /nfs/dbraw/zinc/44/46/69/984444669.db2.gz SQHLZYYIVJFCFF-UXHICEINSA-N 1 3 360.473 2.889 20 0 FFADHO COC(=O)[C@H]1C[N@H+](C2CCN(CC3CC3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC001168389586 984444671 /nfs/dbraw/zinc/44/46/71/984444671.db2.gz SQHLZYYIVJFCFF-UXHICEINSA-N 1 3 360.473 2.889 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000157111471 984457669 /nfs/dbraw/zinc/45/76/69/984457669.db2.gz CYXJAEIMMFIDAY-PMACEKPBSA-N 1 3 355.526 2.984 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000157111471 984457671 /nfs/dbraw/zinc/45/76/71/984457671.db2.gz CYXJAEIMMFIDAY-PMACEKPBSA-N 1 3 355.526 2.984 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@@H]1CCOC1)CC2 ZINC001107454409 984559160 /nfs/dbraw/zinc/55/91/60/984559160.db2.gz GUVCISIZVXDEOY-DBXWQHBBSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@@H]1CCOC1)CC2 ZINC001107454409 984559163 /nfs/dbraw/zinc/55/91/63/984559163.db2.gz GUVCISIZVXDEOY-DBXWQHBBSA-N 1 3 365.562 2.504 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1cnc(C)o1)CC2 ZINC001107454788 984560246 /nfs/dbraw/zinc/56/02/46/984560246.db2.gz OBNFUMLXWWGOTE-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1cnc(C)o1)CC2 ZINC001107454788 984560250 /nfs/dbraw/zinc/56/02/50/984560250.db2.gz OBNFUMLXWWGOTE-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO C[C@@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495245 984596730 /nfs/dbraw/zinc/59/67/30/984596730.db2.gz LMEHJGCDSGVUDJ-MBOZVWFJSA-N 1 3 353.526 2.970 20 0 FFADHO C[C@@H](F)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495245 984596733 /nfs/dbraw/zinc/59/67/33/984596733.db2.gz LMEHJGCDSGVUDJ-MBOZVWFJSA-N 1 3 353.526 2.970 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764642543 984604936 /nfs/dbraw/zinc/60/49/36/984604936.db2.gz YBTPLAALRRZGDU-IFMALSPDSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)C1 ZINC001107550134 984668666 /nfs/dbraw/zinc/66/86/66/984668666.db2.gz NQKUVWOUFGYKJS-LZQZEXGQSA-N 1 3 357.489 2.529 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)C1 ZINC001107550134 984668669 /nfs/dbraw/zinc/66/86/69/984668669.db2.gz NQKUVWOUFGYKJS-LZQZEXGQSA-N 1 3 357.489 2.529 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)s1)CC2 ZINC001107582089 984731497 /nfs/dbraw/zinc/73/14/97/984731497.db2.gz WGIOIQDGYGLYNP-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnc(C)s1)CC2 ZINC001107582089 984731505 /nfs/dbraw/zinc/73/15/05/984731505.db2.gz WGIOIQDGYGLYNP-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669562562 984784235 /nfs/dbraw/zinc/78/42/35/984784235.db2.gz MDQZQFOXJHNKRM-SLFFLAALSA-N 1 3 358.530 2.536 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC(C)C)CC2 ZINC001107617259 984836898 /nfs/dbraw/zinc/83/68/98/984836898.db2.gz BATPYVLWRKBUFA-UYAOXDASSA-N 1 3 353.551 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOC(C)C)CC2 ZINC001107617259 984836920 /nfs/dbraw/zinc/83/69/20/984836920.db2.gz BATPYVLWRKBUFA-UYAOXDASSA-N 1 3 353.551 2.504 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)N(C)C)cc1 ZINC000669586977 984865074 /nfs/dbraw/zinc/86/50/74/984865074.db2.gz GAPVVTZXGMDRAN-GIVPXCGWSA-N 1 3 372.557 2.881 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669586749 984871809 /nfs/dbraw/zinc/87/18/09/984871809.db2.gz RYEAFISKOGIQCF-HKUYNNGSSA-N 1 3 362.518 2.518 20 0 FFADHO C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743381 985682705 /nfs/dbraw/zinc/68/27/05/985682705.db2.gz WGHGXWTULVSLHG-CQSZACIVSA-N 1 3 367.453 2.531 20 0 FFADHO C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743381 985682711 /nfs/dbraw/zinc/68/27/11/985682711.db2.gz WGHGXWTULVSLHG-CQSZACIVSA-N 1 3 367.453 2.531 20 0 FFADHO CN1CCN(CCCNc2cc(C[NH+](C)C)ccc2Br)CC1 ZINC001161711358 986181755 /nfs/dbraw/zinc/18/17/55/986181755.db2.gz LETXHPQOLKOUJG-UHFFFAOYSA-N 1 3 369.351 2.560 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000998791706 986253150 /nfs/dbraw/zinc/25/31/50/986253150.db2.gz QGASFXZAPCXCNE-BXNZUYAZSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000998791706 986253161 /nfs/dbraw/zinc/25/31/61/986253161.db2.gz QGASFXZAPCXCNE-BXNZUYAZSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc(F)cc3C)CC2)CC[N@@H+]1C ZINC001002858937 987552166 /nfs/dbraw/zinc/55/21/66/987552166.db2.gz JQVQZKUNOBFKDD-VQTJNVASSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc(F)cc3C)CC2)CC[N@H+]1C ZINC001002858937 987552167 /nfs/dbraw/zinc/55/21/67/987552167.db2.gz JQVQZKUNOBFKDD-VQTJNVASSA-N 1 3 361.505 2.945 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249300 987756186 /nfs/dbraw/zinc/75/61/86/987756186.db2.gz GBFDQJXQXPGZDC-ZPMCFJSWSA-N 1 3 371.569 2.816 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001106249124 987757229 /nfs/dbraw/zinc/75/72/29/987757229.db2.gz AFFTUJLDSPQJSU-DUXKGJEZSA-N 1 3 357.542 2.562 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCN1CC(C)C ZINC001212497109 987774489 /nfs/dbraw/zinc/77/44/89/987774489.db2.gz GRAXRSHGYYOKKQ-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCN1CC(C)C ZINC001212497109 987774493 /nfs/dbraw/zinc/77/44/93/987774493.db2.gz GRAXRSHGYYOKKQ-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001212497109 987774497 /nfs/dbraw/zinc/77/44/97/987774497.db2.gz GRAXRSHGYYOKKQ-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001212497109 987774503 /nfs/dbraw/zinc/77/45/03/987774503.db2.gz GRAXRSHGYYOKKQ-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCC2CCOCC2)[C@H](C)C1 ZINC001106340023 987981332 /nfs/dbraw/zinc/98/13/32/987981332.db2.gz IHLNBIJTYHSHBL-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000193383884 988257435 /nfs/dbraw/zinc/25/74/35/988257435.db2.gz UFIGYZFHLXLTSX-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO COc1cc2c(cc1CN[C@@H]1C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]1O)O[C@@H](C)C2 ZINC000922386833 988542918 /nfs/dbraw/zinc/54/29/18/988542918.db2.gz JBZKQLOGCSCZAS-JOEDUOHOSA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(cc1CN[C@@H]1C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]1O)O[C@@H](C)C2 ZINC000922386833 988542926 /nfs/dbraw/zinc/54/29/26/988542926.db2.gz JBZKQLOGCSCZAS-JOEDUOHOSA-N 1 3 374.525 2.588 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@H]1C(C)C ZINC000922396617 988565895 /nfs/dbraw/zinc/56/58/95/988565895.db2.gz YRQOIIADEOXTAD-NMIHRBCNSA-N 1 3 357.542 2.920 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@H]1C(C)C ZINC000922396617 988565907 /nfs/dbraw/zinc/56/59/07/988565907.db2.gz YRQOIIADEOXTAD-NMIHRBCNSA-N 1 3 357.542 2.920 20 0 FFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666019 988609060 /nfs/dbraw/zinc/60/90/60/988609060.db2.gz FCRQPWSEUPMSIV-MBOZVWFJSA-N 1 3 355.542 2.929 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666493 988609077 /nfs/dbraw/zinc/60/90/77/988609077.db2.gz MKLBEXSNQDSJET-NNMXDRDESA-N 1 3 371.569 2.817 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]C/C=C/c3ccccc3)[C@H](C)C2)C1 ZINC001106666804 988609364 /nfs/dbraw/zinc/60/93/64/988609364.db2.gz WICWMIKMAHZLAL-WUYNAKMNSA-N 1 3 355.526 2.726 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCCC2CCOCC2)[C@H](C)C1)N(C)C ZINC001106674118 988618093 /nfs/dbraw/zinc/61/80/93/988618093.db2.gz SKGKAIGXMCGWIE-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C(F)F)cc3)C2)CC[N@@H+]1C ZINC001033092300 988775329 /nfs/dbraw/zinc/77/53/29/988775329.db2.gz RBHDQXNFCOGGSW-FHLIZLRMSA-N 1 3 365.468 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C(F)F)cc3)C2)CC[N@H+]1C ZINC001033092300 988775338 /nfs/dbraw/zinc/77/53/38/988775338.db2.gz RBHDQXNFCOGGSW-FHLIZLRMSA-N 1 3 365.468 2.997 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001085196648 988782112 /nfs/dbraw/zinc/78/21/12/988782112.db2.gz IWNHZRZDQQMZKZ-GUDVDZBRSA-N 1 3 362.493 2.611 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001085196648 988782119 /nfs/dbraw/zinc/78/21/19/988782119.db2.gz IWNHZRZDQQMZKZ-GUDVDZBRSA-N 1 3 362.493 2.611 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001106797872 989128592 /nfs/dbraw/zinc/12/85/92/989128592.db2.gz ZWHSQWJQTSUOMI-TZIWHRDSSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000673776505 989260597 /nfs/dbraw/zinc/26/05/97/989260597.db2.gz ITHFATFNQKGHRO-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000673776505 989260601 /nfs/dbraw/zinc/26/06/01/989260601.db2.gz ITHFATFNQKGHRO-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000674701255 989870530 /nfs/dbraw/zinc/87/05/30/989870530.db2.gz KNJVLRCKZGQGPZ-ICSRJNTNSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000674701255 989870535 /nfs/dbraw/zinc/87/05/35/989870535.db2.gz KNJVLRCKZGQGPZ-ICSRJNTNSA-N 1 3 370.541 2.838 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000916639413 989878143 /nfs/dbraw/zinc/87/81/43/989878143.db2.gz UVBRWAFRSGQMIJ-PMACEKPBSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000916639413 989878146 /nfs/dbraw/zinc/87/81/46/989878146.db2.gz UVBRWAFRSGQMIJ-PMACEKPBSA-N 1 3 371.529 2.577 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000652278368 1015516250 /nfs/dbraw/zinc/51/62/50/1015516250.db2.gz LZEHESRTKYWAOH-UHFFFAOYSA-N 1 3 372.488 2.866 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675577232 990309979 /nfs/dbraw/zinc/30/99/79/990309979.db2.gz IWFFUMSOEYTIHY-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920566602 990877255 /nfs/dbraw/zinc/87/72/55/990877255.db2.gz HTRAAYCPGBWDEI-ZFWWWQNUSA-N 1 3 366.408 2.735 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000920566602 990877265 /nfs/dbraw/zinc/87/72/65/990877265.db2.gz HTRAAYCPGBWDEI-ZFWWWQNUSA-N 1 3 366.408 2.735 20 0 FFADHO CCc1ccc(CCN2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1 ZINC001031684528 990967182 /nfs/dbraw/zinc/96/71/82/990967182.db2.gz RJQYHUFVWVCUMW-LEWJYISDSA-N 1 3 357.542 2.570 20 0 FFADHO CCc1ccc(CCN2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC001031684528 990967190 /nfs/dbraw/zinc/96/71/90/990967190.db2.gz RJQYHUFVWVCUMW-LEWJYISDSA-N 1 3 357.542 2.570 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000923298796 991042997 /nfs/dbraw/zinc/04/29/97/991042997.db2.gz PFDCIMDPEVEKMD-MOPGFXCFSA-N 1 3 359.514 2.716 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2nc(C)sc2C)[C@H](C)C1 ZINC001106905191 991289256 /nfs/dbraw/zinc/28/92/56/991289256.db2.gz DXDNEZOPMJYZDY-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2nc(C)sc2C)[C@H](C)C1 ZINC001106905191 991289262 /nfs/dbraw/zinc/28/92/62/991289262.db2.gz DXDNEZOPMJYZDY-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1c1ccccc1F ZINC001079294987 991980954 /nfs/dbraw/zinc/98/09/54/991980954.db2.gz JMOZKXOMCHZMRB-DFQSSKMNSA-N 1 3 361.505 2.991 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC3CC3)C2)CCC1 ZINC001079299080 991988494 /nfs/dbraw/zinc/98/84/94/991988494.db2.gz WCUGIRQWLWAAMT-PKOBYXMFSA-N 1 3 359.489 2.604 20 0 FFADHO Cc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)c1 ZINC001079843800 992483844 /nfs/dbraw/zinc/48/38/44/992483844.db2.gz JTECWTIKXPQJIY-HLAWJBBLSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)c1 ZINC001079843800 992483849 /nfs/dbraw/zinc/48/38/49/992483849.db2.gz JTECWTIKXPQJIY-HLAWJBBLSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn4cncc4c3)C2)c(C)n1 ZINC001080052607 992677436 /nfs/dbraw/zinc/67/74/36/992677436.db2.gz MYZOSMWRPLQHEN-JLTOFOAXSA-N 1 3 363.465 2.596 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn4cncc4c3)C2)c(C)n1 ZINC001080052607 992677440 /nfs/dbraw/zinc/67/74/40/992677440.db2.gz MYZOSMWRPLQHEN-JLTOFOAXSA-N 1 3 363.465 2.596 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2Cl)[C@H](C)C1 ZINC001107038973 993290416 /nfs/dbraw/zinc/29/04/16/993290416.db2.gz JDXSJKHRHGZWBL-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO O[C@H]1c2ccccc2OC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000808452635 994121920 /nfs/dbraw/zinc/12/19/20/994121920.db2.gz NAKASNSSIODSPY-UNMCSNQZSA-N 1 3 368.477 2.745 20 0 FFADHO CC1([NH+]2CCC2)CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000880473371 1015845246 /nfs/dbraw/zinc/84/52/46/1015845246.db2.gz DGBKXQJHHFTESR-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001131558405 994393088 /nfs/dbraw/zinc/39/30/88/994393088.db2.gz ZGQLNZQNLYMFOY-AQNXPRMDSA-N 1 3 367.578 2.604 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727089220 994466792 /nfs/dbraw/zinc/46/67/92/994466792.db2.gz PIBXHMLPQWHYSL-HXUWFJFHSA-N 1 3 372.582 2.696 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810678832 994875958 /nfs/dbraw/zinc/87/59/58/994875958.db2.gz DPNXCAZGNVEBLT-PLMTUMEDSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810678832 994875965 /nfs/dbraw/zinc/87/59/65/994875965.db2.gz DPNXCAZGNVEBLT-PLMTUMEDSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001082557488 994927031 /nfs/dbraw/zinc/92/70/31/994927031.db2.gz HYFCOZRBALUIRL-BZUAXINKSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001082561717 994943078 /nfs/dbraw/zinc/94/30/78/994943078.db2.gz MNQQVGJEHDDTFI-DNVCBOLYSA-N 1 3 363.933 2.803 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2OC)C1)N(C)C ZINC001082589937 995003394 /nfs/dbraw/zinc/00/33/94/995003394.db2.gz UTWNNCJFHAJMBT-KBRIMQKVSA-N 1 3 367.921 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC2CC2)CC[N@@H+]1C ZINC001054042349 1015931005 /nfs/dbraw/zinc/93/10/05/1015931005.db2.gz WNNVZJCEGWBVMF-PCCBWWKXSA-N 1 3 355.526 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC2CC2)CC[N@H+]1C ZINC001054042349 1015931012 /nfs/dbraw/zinc/93/10/12/1015931012.db2.gz WNNVZJCEGWBVMF-PCCBWWKXSA-N 1 3 355.526 2.670 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1)N(C)C ZINC001082747134 995301881 /nfs/dbraw/zinc/30/18/81/995301881.db2.gz ACDUAUCFWLDBOD-AHRSYUTCSA-N 1 3 361.530 2.751 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082740703 995395638 /nfs/dbraw/zinc/39/56/38/995395638.db2.gz CUOAYNCIVZMJBZ-QWQRMKEZSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082740703 995395646 /nfs/dbraw/zinc/39/56/46/995395646.db2.gz CUOAYNCIVZMJBZ-QWQRMKEZSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001082744191 995404270 /nfs/dbraw/zinc/40/42/70/995404270.db2.gz WXJKULPRIPXLHK-OWCLPIDISA-N 1 3 357.489 2.590 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001082783402 995491240 /nfs/dbraw/zinc/49/12/40/995491240.db2.gz WFDHVNZKFBDMPK-RLLQIKCJSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001082783222 995491405 /nfs/dbraw/zinc/49/14/05/995491405.db2.gz INMCAGUMENUCSW-HMXCVIKNSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cccc(Cl)c1F ZINC001082861734 995666552 /nfs/dbraw/zinc/66/65/52/995666552.db2.gz MQNLMQPXCAYCQO-CKEIUWERSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cccc(Cl)c1F ZINC001082861734 995666555 /nfs/dbraw/zinc/66/65/55/995666555.db2.gz MQNLMQPXCAYCQO-CKEIUWERSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001049479792 1016002037 /nfs/dbraw/zinc/00/20/37/1016002037.db2.gz BWCLIVOYWGZXQL-GEALJGNFSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccc(F)cc2)CC[N@H+]1C ZINC001049479792 1016002044 /nfs/dbraw/zinc/00/20/44/1016002044.db2.gz BWCLIVOYWGZXQL-GEALJGNFSA-N 1 3 359.489 2.731 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C2CC2)C1 ZINC001096539089 1016005702 /nfs/dbraw/zinc/00/57/02/1016005702.db2.gz UYTYATBDVCGNOV-QCFAMHMHSA-N 1 3 353.510 2.737 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C2CC2)C1 ZINC001096539089 1016005707 /nfs/dbraw/zinc/00/57/07/1016005707.db2.gz UYTYATBDVCGNOV-QCFAMHMHSA-N 1 3 353.510 2.737 20 0 FFADHO CCC[NH+]1CCC(N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000167523782 996140370 /nfs/dbraw/zinc/14/03/70/996140370.db2.gz IVRVYUOCTRNZOK-IBGZPJMESA-N 1 3 361.530 2.742 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)cc1C ZINC001084355247 996481885 /nfs/dbraw/zinc/48/18/85/996481885.db2.gz NWMRXNQCCKWFRK-CWJKEVGVSA-N 1 3 355.526 2.676 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)cc1C ZINC001084355247 996481889 /nfs/dbraw/zinc/48/18/89/996481889.db2.gz NWMRXNQCCKWFRK-CWJKEVGVSA-N 1 3 355.526 2.676 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084388779 996530622 /nfs/dbraw/zinc/53/06/22/996530622.db2.gz FGOAELONARWHPD-NZSAHSFTSA-N 1 3 361.555 2.698 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001084388779 996530624 /nfs/dbraw/zinc/53/06/24/996530624.db2.gz FGOAELONARWHPD-NZSAHSFTSA-N 1 3 361.555 2.698 20 0 FFADHO CCCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2)C3)c1 ZINC001096545589 1016076559 /nfs/dbraw/zinc/07/65/59/1016076559.db2.gz GUHKBLVROAJIRH-GIVPXCGWSA-N 1 3 371.525 2.793 20 0 FFADHO CCCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2)C3)c1 ZINC001096545589 1016076567 /nfs/dbraw/zinc/07/65/67/1016076567.db2.gz GUHKBLVROAJIRH-GIVPXCGWSA-N 1 3 371.525 2.793 20 0 FFADHO O=C1O[C@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CN1C1CC1 ZINC000844331157 997788414 /nfs/dbraw/zinc/78/84/14/997788414.db2.gz WREHRTDGRYLDDQ-TZIWHRDSSA-N 1 3 355.482 2.568 20 0 FFADHO O=C1O[C@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CN1C1CC1 ZINC000844331157 997788426 /nfs/dbraw/zinc/78/84/26/997788426.db2.gz WREHRTDGRYLDDQ-TZIWHRDSSA-N 1 3 355.482 2.568 20 0 FFADHO CCOc1c(F)cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1F ZINC001144031402 997931288 /nfs/dbraw/zinc/93/12/88/997931288.db2.gz DYJKMLAQBPJVGB-UHFFFAOYSA-N 1 3 367.484 2.823 20 0 FFADHO C[C@H](NCc1ccc(C[NH3+])cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000844924306 998232326 /nfs/dbraw/zinc/23/23/26/998232326.db2.gz OJLMQTCSYCHUBR-KKSFZXQISA-N 1 3 357.473 2.664 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962642 998373578 /nfs/dbraw/zinc/37/35/78/998373578.db2.gz ZQHUOHHMBGYFMY-DYXWJJEUSA-N 1 3 370.541 2.687 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962642 998373593 /nfs/dbraw/zinc/37/35/93/998373593.db2.gz ZQHUOHHMBGYFMY-DYXWJJEUSA-N 1 3 370.541 2.687 20 0 FFADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001273248998 998513790 /nfs/dbraw/zinc/51/37/90/998513790.db2.gz QHABEGAHYQKPFV-PMPSAXMXSA-N 1 3 361.452 2.736 20 0 FFADHO CC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001273248998 998513800 /nfs/dbraw/zinc/51/38/00/998513800.db2.gz QHABEGAHYQKPFV-PMPSAXMXSA-N 1 3 361.452 2.736 20 0 FFADHO c1ccc(-c2noc(CCC[N@@H+]3CCNCCC34CCOCC4)n2)cc1 ZINC000903815668 1016236650 /nfs/dbraw/zinc/23/66/50/1016236650.db2.gz OMCZAMHDJPOBDW-UHFFFAOYSA-N 1 3 356.470 2.514 20 0 FFADHO c1ccc(-c2noc(CCC[N@H+]3CCNCCC34CCOCC4)n2)cc1 ZINC000903815668 1016236655 /nfs/dbraw/zinc/23/66/55/1016236655.db2.gz OMCZAMHDJPOBDW-UHFFFAOYSA-N 1 3 356.470 2.514 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]32)c1 ZINC001085049924 998783541 /nfs/dbraw/zinc/78/35/41/998783541.db2.gz JPCLJPSTAUZUSW-RTWAWAEBSA-N 1 3 370.541 2.545 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085074827 998861983 /nfs/dbraw/zinc/86/19/83/998861983.db2.gz DZMKSDWGZDEMMJ-FTTRNKAKSA-N 1 3 367.537 2.964 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085074827 998861984 /nfs/dbraw/zinc/86/19/84/998861984.db2.gz DZMKSDWGZDEMMJ-FTTRNKAKSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001085204137 999158307 /nfs/dbraw/zinc/15/83/07/999158307.db2.gz XCNLSHBCXBAOPZ-MWQQHZPXSA-N 1 3 364.921 2.592 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)n2)CC[N@H+]1C ZINC001085204137 999158310 /nfs/dbraw/zinc/15/83/10/999158310.db2.gz XCNLSHBCXBAOPZ-MWQQHZPXSA-N 1 3 364.921 2.592 20 0 FFADHO COc1cccc(C2CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)c1 ZINC000903888882 1016288690 /nfs/dbraw/zinc/28/86/90/1016288690.db2.gz MEKADQZXDODHSJ-KRWDZBQOSA-N 1 3 356.514 2.734 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001085225121 999194829 /nfs/dbraw/zinc/19/48/29/999194829.db2.gz JOWKKCMTQYLDNJ-GUDVDZBRSA-N 1 3 362.518 2.763 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001085225121 999194831 /nfs/dbraw/zinc/19/48/31/999194831.db2.gz JOWKKCMTQYLDNJ-GUDVDZBRSA-N 1 3 362.518 2.763 20 0 FFADHO COc1ccc(CNC[C@@H](C[NH3+])Cc2cnn(C)c2C)c(C(F)(F)F)c1 ZINC000903927601 1016310476 /nfs/dbraw/zinc/31/04/76/1016310476.db2.gz ZYBXLLOUUNOJNB-CYBMUJFWSA-N 1 3 370.419 2.663 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)cc1 ZINC001085406086 999464973 /nfs/dbraw/zinc/46/49/73/999464973.db2.gz OMGJXTJFPQBWHN-RTBURBONSA-N 1 3 354.498 2.829 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001096605230 1016343302 /nfs/dbraw/zinc/34/33/02/1016343302.db2.gz FSZTXCUWECOSPV-QCFAMHMHSA-N 1 3 371.525 2.652 20 0 FFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001086091004 999762077 /nfs/dbraw/zinc/76/20/77/999762077.db2.gz CMTYCUJPETWLEN-IUKJFTNHSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001086091004 999762079 /nfs/dbraw/zinc/76/20/79/999762079.db2.gz CMTYCUJPETWLEN-IUKJFTNHSA-N 1 3 365.468 2.850 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+]3CCC[C@@H]3C)c(C)c2)CC1 ZINC000743813887 999832701 /nfs/dbraw/zinc/83/27/01/999832701.db2.gz YNMYSTYSECSABT-SFHVURJKSA-N 1 3 373.545 2.743 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+]3CCC[C@@H]3C)c(C)c2)CC1 ZINC000743813887 999832702 /nfs/dbraw/zinc/83/27/02/999832702.db2.gz YNMYSTYSECSABT-SFHVURJKSA-N 1 3 373.545 2.743 20 0 FFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001086369843 999873715 /nfs/dbraw/zinc/87/37/15/999873715.db2.gz CMTYCUJPETWLEN-XPLWTBFPSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001086369843 999873717 /nfs/dbraw/zinc/87/37/17/999873717.db2.gz CMTYCUJPETWLEN-XPLWTBFPSA-N 1 3 365.468 2.850 20 0 FFADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000745948941 999937776 /nfs/dbraw/zinc/93/77/76/999937776.db2.gz ZRBGMPFFSHPYOM-IEBWSBKVSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000745948941 999937777 /nfs/dbraw/zinc/93/77/77/999937777.db2.gz ZRBGMPFFSHPYOM-IEBWSBKVSA-N 1 3 358.530 2.887 20 0 FFADHO CC1(C)C[C@@H](Nc2cncc(OCCN3CCCC3)n2)C[C@](C)(C[NH3+])C1 ZINC001169146623 1000027189 /nfs/dbraw/zinc/02/71/89/1000027189.db2.gz WFLOYKAXAZVJGB-UZLBHIALSA-N 1 3 361.534 2.907 20 0 FFADHO CC1(C)C[C@@H](Nc2cccc(=NN3C(=O)CCC3=O)[nH]2)C[C@](C)(C[NH3+])C1 ZINC001169146719 1000027694 /nfs/dbraw/zinc/02/76/94/1000027694.db2.gz RXOKHYLWIJOLMS-YJYMSZOUSA-N 1 3 359.474 2.513 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)CO1 ZINC001169369333 1000042232 /nfs/dbraw/zinc/04/22/32/1000042232.db2.gz WBSVPPBCUVLCRX-UHOSZYNNSA-N 1 3 350.503 2.507 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CO1 ZINC001169369333 1000042234 /nfs/dbraw/zinc/04/22/34/1000042234.db2.gz WBSVPPBCUVLCRX-UHOSZYNNSA-N 1 3 350.503 2.507 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CO1 ZINC001169354162 1000042968 /nfs/dbraw/zinc/04/29/68/1000042968.db2.gz SUNMAOJPLQHADH-RBUKOAKNSA-N 1 3 352.519 2.731 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CO1 ZINC001169354162 1000042970 /nfs/dbraw/zinc/04/29/70/1000042970.db2.gz SUNMAOJPLQHADH-RBUKOAKNSA-N 1 3 352.519 2.731 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2cccc(OC)c2)CC1 ZINC001169452194 1000048799 /nfs/dbraw/zinc/04/87/99/1000048799.db2.gz KZIBUIMQQSPVDA-KRWDZBQOSA-N 1 3 361.530 2.678 20 0 FFADHO CSc1ccc(CN2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)s1 ZINC001276145669 1016407616 /nfs/dbraw/zinc/40/76/16/1016407616.db2.gz HSFDAFSFHKGVSX-OAHLLOKOSA-N 1 3 367.584 2.750 20 0 FFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846807472 1000446572 /nfs/dbraw/zinc/44/65/72/1000446572.db2.gz VCKIYGOWOGGOEC-PXNSSMCTSA-N 1 3 369.550 2.555 20 0 FFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846807472 1000446574 /nfs/dbraw/zinc/44/65/74/1000446574.db2.gz VCKIYGOWOGGOEC-PXNSSMCTSA-N 1 3 369.550 2.555 20 0 FFADHO CC(=O)N1CCC(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000770352554 1000765670 /nfs/dbraw/zinc/76/56/70/1000765670.db2.gz OYKMCDIJDYDOIX-UNMCSNQZSA-N 1 3 355.526 2.984 20 0 FFADHO CC(=O)N1CCC(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000770352554 1000765674 /nfs/dbraw/zinc/76/56/74/1000765674.db2.gz OYKMCDIJDYDOIX-UNMCSNQZSA-N 1 3 355.526 2.984 20 0 FFADHO CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001109796955 1001012863 /nfs/dbraw/zinc/01/28/63/1001012863.db2.gz NSOOYDRNOVGSBM-YRPNKDGESA-N 1 3 365.562 2.788 20 0 FFADHO CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001109796955 1001012868 /nfs/dbraw/zinc/01/28/68/1001012868.db2.gz NSOOYDRNOVGSBM-YRPNKDGESA-N 1 3 365.562 2.788 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C)C(C)C ZINC001109860158 1001090595 /nfs/dbraw/zinc/09/05/95/1001090595.db2.gz NYOLVPAWILKJIJ-FUMNGEBKSA-N 1 3 367.578 2.889 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738400 1001185685 /nfs/dbraw/zinc/18/56/85/1001185685.db2.gz WWLYDSJGAOPPAI-GIWBLDEGSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738400 1001185687 /nfs/dbraw/zinc/18/56/87/1001185687.db2.gz WWLYDSJGAOPPAI-GIWBLDEGSA-N 1 3 369.553 2.870 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC ZINC001109957127 1001209533 /nfs/dbraw/zinc/20/95/33/1001209533.db2.gz CGZCDPYNGVOBRJ-FUMNGEBKSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCOC ZINC001109957127 1001209536 /nfs/dbraw/zinc/20/95/36/1001209536.db2.gz CGZCDPYNGVOBRJ-FUMNGEBKSA-N 1 3 365.562 2.789 20 0 FFADHO Cc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086882087 1001300068 /nfs/dbraw/zinc/30/00/68/1001300068.db2.gz ZSPSAGCLXRWLFQ-OXJNMPFZSA-N 1 3 370.497 2.733 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087089279 1001766378 /nfs/dbraw/zinc/76/63/78/1001766378.db2.gz IRGXOMXHDBBKHE-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001182970339 1002110376 /nfs/dbraw/zinc/11/03/76/1002110376.db2.gz YHHWJAZAIOVMEX-FPOVZHCZSA-N 1 3 364.493 2.641 20 0 FFADHO CC[N@H+](CCCC(=O)N1CCN2CCC1CC2)[C@@H](C)Cc1ccc(O)cc1 ZINC001183049258 1002134901 /nfs/dbraw/zinc/13/49/01/1002134901.db2.gz ABRNGQFVXLJRBF-SFHVURJKSA-N 1 3 373.541 2.732 20 0 FFADHO CC[N@@H+](CCCC(=O)N1CCN2CCC1CC2)[C@@H](C)Cc1ccc(O)cc1 ZINC001183049258 1002134908 /nfs/dbraw/zinc/13/49/08/1002134908.db2.gz ABRNGQFVXLJRBF-SFHVURJKSA-N 1 3 373.541 2.732 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001092010583 1002277616 /nfs/dbraw/zinc/27/76/16/1002277616.db2.gz HJSLXGVHHDCHGU-LSWJPFSZSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001092010583 1002277625 /nfs/dbraw/zinc/27/76/25/1002277625.db2.gz HJSLXGVHHDCHGU-LSWJPFSZSA-N 1 3 369.553 2.884 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c1 ZINC001092013616 1002287928 /nfs/dbraw/zinc/28/79/28/1002287928.db2.gz VJNXATIFIAQAQS-OAOOKAIFSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)c1 ZINC001092013616 1002287934 /nfs/dbraw/zinc/28/79/34/1002287934.db2.gz VJNXATIFIAQAQS-OAOOKAIFSA-N 1 3 369.553 2.926 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@]2(C)C1)N(C)C ZINC001092021825 1002299406 /nfs/dbraw/zinc/29/94/06/1002299406.db2.gz JGXDQTVGGIISRU-HBFSDRIKSA-N 1 3 363.571 2.985 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@]2(C)C1)N(C)C ZINC001092021825 1002299410 /nfs/dbraw/zinc/29/94/10/1002299410.db2.gz JGXDQTVGGIISRU-HBFSDRIKSA-N 1 3 363.571 2.985 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095525484 1016629016 /nfs/dbraw/zinc/62/90/16/1016629016.db2.gz SNWKENDXVGYFHT-BDXSIMOUSA-N 1 3 369.500 2.731 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095525484 1016629024 /nfs/dbraw/zinc/62/90/24/1016629024.db2.gz SNWKENDXVGYFHT-BDXSIMOUSA-N 1 3 369.500 2.731 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccnc3C)C[C@@]2(C)C1 ZINC001092301350 1002631425 /nfs/dbraw/zinc/63/14/25/1002631425.db2.gz FEOZWTTUIGAGAO-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccnc3C)C[C@@]2(C)C1 ZINC001092301350 1002631429 /nfs/dbraw/zinc/63/14/29/1002631429.db2.gz FEOZWTTUIGAGAO-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001086601358 1002782352 /nfs/dbraw/zinc/78/23/52/1002782352.db2.gz RMAGSHNXGAQVDN-PWRODBHTSA-N 1 3 355.526 2.855 20 0 FFADHO CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001086601358 1002782362 /nfs/dbraw/zinc/78/23/62/1002782362.db2.gz RMAGSHNXGAQVDN-PWRODBHTSA-N 1 3 355.526 2.855 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cnn(-c2ccccc2)c1 ZINC000773069013 1002789932 /nfs/dbraw/zinc/78/99/32/1002789932.db2.gz MJUBPIARYKGPFI-NDXORKPFSA-N 1 3 354.498 2.901 20 0 FFADHO CCCN1CCc2c(N)sc(Nc3cnn(CCC[NH+](C)C)c3)c2C1 ZINC001186968217 1003505341 /nfs/dbraw/zinc/50/53/41/1003505341.db2.gz IFWGUBAFUVIQOS-UHFFFAOYSA-N 1 3 362.547 2.990 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC001001422937 1016799324 /nfs/dbraw/zinc/79/93/24/1016799324.db2.gz RGPXZVLPTSAIKL-VQTJNVASSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC001001422937 1016799337 /nfs/dbraw/zinc/79/93/37/1016799337.db2.gz RGPXZVLPTSAIKL-VQTJNVASSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1ccccc1OCCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001489261511 1005442355 /nfs/dbraw/zinc/44/23/55/1005442355.db2.gz BQIUZVLJFWKPBE-WTGUMLROSA-N 1 3 373.541 2.683 20 0 FFADHO Cc1ccccc1OCCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001489261511 1005442356 /nfs/dbraw/zinc/44/23/56/1005442356.db2.gz BQIUZVLJFWKPBE-WTGUMLROSA-N 1 3 373.541 2.683 20 0 FFADHO CC(C)(O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357350 1005810681 /nfs/dbraw/zinc/81/06/81/1005810681.db2.gz GRLLHZSKPFVWLC-NRFANRHFSA-N 1 3 354.494 2.770 20 0 FFADHO CC(C)(O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357350 1005810686 /nfs/dbraw/zinc/81/06/86/1005810686.db2.gz GRLLHZSKPFVWLC-NRFANRHFSA-N 1 3 354.494 2.770 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000852306317 1005970279 /nfs/dbraw/zinc/97/02/79/1005970279.db2.gz CSNGQXULKVPFNT-UHFFFAOYSA-N 1 3 370.582 2.638 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000852306317 1005970281 /nfs/dbraw/zinc/97/02/81/1005970281.db2.gz CSNGQXULKVPFNT-UHFFFAOYSA-N 1 3 370.582 2.638 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1C ZINC001097086489 1017015501 /nfs/dbraw/zinc/01/55/01/1017015501.db2.gz ZNORPXYXKRPGST-MBDNFAEBSA-N 1 3 367.537 2.867 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(Cc2cccc(F)c2)CC3)CC[N@@H+]1C ZINC001050523988 1017041913 /nfs/dbraw/zinc/04/19/13/1017041913.db2.gz PGTVHWZLBURGGL-VQIMIIECSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(Cc2cccc(F)c2)CC3)CC[N@H+]1C ZINC001050523988 1017041925 /nfs/dbraw/zinc/04/19/25/1017041925.db2.gz PGTVHWZLBURGGL-VQIMIIECSA-N 1 3 359.489 2.590 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000075800623 1006381951 /nfs/dbraw/zinc/38/19/51/1006381951.db2.gz YHQTWMHMRXTFAQ-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO O=c1oc2ccc(CNCc3ccc(C[NH+]4CCC(O)CC4)cc3)cc2o1 ZINC000882986631 1006589616 /nfs/dbraw/zinc/58/96/16/1006589616.db2.gz DYHZJLYHPIFNKZ-UHFFFAOYSA-N 1 3 368.433 2.633 20 0 FFADHO COc1cccc([C@@H](C)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001188970445 1006828238 /nfs/dbraw/zinc/82/82/38/1006828238.db2.gz IDNYVUGCPGVYKX-IMFGXOCKSA-N 1 3 371.525 2.631 20 0 FFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCOC3CCCCCC3)C[C@H]21 ZINC001188985258 1006832906 /nfs/dbraw/zinc/83/29/06/1006832906.db2.gz BYJRTONVZXUFQJ-AZUAARDMSA-N 1 3 365.562 2.600 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]21)N(CC)CC ZINC001189109816 1006887759 /nfs/dbraw/zinc/88/77/59/1006887759.db2.gz FTPOAZCEBHGSKI-YTQUADARSA-N 1 3 363.571 2.944 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21)N(CC)CC ZINC001189109816 1006887767 /nfs/dbraw/zinc/88/77/67/1006887767.db2.gz FTPOAZCEBHGSKI-YTQUADARSA-N 1 3 363.571 2.944 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312537 1007016172 /nfs/dbraw/zinc/01/61/72/1007016172.db2.gz UQEDDHSDMCGZHY-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312537 1007016187 /nfs/dbraw/zinc/01/61/87/1007016187.db2.gz UQEDDHSDMCGZHY-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)nc2ccccc21 ZINC000855345870 1007295858 /nfs/dbraw/zinc/29/58/58/1007295858.db2.gz JGANBWKXRKTYSU-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)nc2ccccc21 ZINC000855345870 1007295871 /nfs/dbraw/zinc/29/58/71/1007295871.db2.gz JGANBWKXRKTYSU-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO Cc1csc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001170863259 1007557261 /nfs/dbraw/zinc/55/72/61/1007557261.db2.gz UUHUZAUXYCQHQM-FVQBIDKESA-N 1 3 352.548 2.556 20 0 FFADHO Cc1csc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001170863259 1007557269 /nfs/dbraw/zinc/55/72/69/1007557269.db2.gz UUHUZAUXYCQHQM-FVQBIDKESA-N 1 3 352.548 2.556 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNCc2ncc(C)s2)CC[N@@H+]1C ZINC001170871388 1007616672 /nfs/dbraw/zinc/61/66/72/1007616672.db2.gz PJWLCBCHLMLECV-HYVNUMGLSA-N 1 3 366.575 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNCc2ncc(C)s2)CC[N@H+]1C ZINC001170871388 1007616677 /nfs/dbraw/zinc/61/66/77/1007616677.db2.gz PJWLCBCHLMLECV-HYVNUMGLSA-N 1 3 366.575 2.946 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)ccc1OC ZINC000775386262 1007637517 /nfs/dbraw/zinc/63/75/17/1007637517.db2.gz PGIFJHSGTDGVBL-QZTJIDSGSA-N 1 3 363.546 2.908 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817932149 1007813771 /nfs/dbraw/zinc/81/37/71/1007813771.db2.gz RIERYZDTMGPVEK-ORYQWCPZSA-N 1 3 368.477 2.886 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000819085430 1008030153 /nfs/dbraw/zinc/03/01/53/1008030153.db2.gz VAFUZRQZHLBWGL-KBXCAEBGSA-N 1 3 372.431 2.829 20 0 FFADHO Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)on1 ZINC001086830008 1008221414 /nfs/dbraw/zinc/22/14/14/1008221414.db2.gz ZWPJRHVFLJFCQV-PKOBYXMFSA-N 1 3 370.497 2.733 20 0 FFADHO CC[C@@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2)OC ZINC001110750666 1008384693 /nfs/dbraw/zinc/38/46/93/1008384693.db2.gz VXQHUCFFZQKRIZ-HCXYKTFWSA-N 1 3 365.562 2.786 20 0 FFADHO CC[C@@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2)OC ZINC001110750666 1008384697 /nfs/dbraw/zinc/38/46/97/1008384697.db2.gz VXQHUCFFZQKRIZ-HCXYKTFWSA-N 1 3 365.562 2.786 20 0 FFADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000885992236 1008515681 /nfs/dbraw/zinc/51/56/81/1008515681.db2.gz DBMGHDZBKIUCQT-NHCUHLMSSA-N 1 3 373.541 2.950 20 0 FFADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)CC(=O)N2C ZINC001177657508 1008711562 /nfs/dbraw/zinc/71/15/62/1008711562.db2.gz OGIYDSMFOBITHN-INIZCTEOSA-N 1 3 367.493 2.997 20 0 FFADHO O=C(NCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCC1 ZINC000886549803 1008733130 /nfs/dbraw/zinc/73/31/30/1008733130.db2.gz NWOMSMQCDGVPSI-TYPHKJRUSA-N 1 3 355.526 2.936 20 0 FFADHO CC(C)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnn(C)c1 ZINC000886588157 1008758298 /nfs/dbraw/zinc/75/82/98/1008758298.db2.gz LYXAGQKJPKJYRB-SFTDATJTSA-N 1 3 356.514 2.864 20 0 FFADHO CC(C)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(C)c1 ZINC000886588157 1008758304 /nfs/dbraw/zinc/75/83/04/1008758304.db2.gz LYXAGQKJPKJYRB-SFTDATJTSA-N 1 3 356.514 2.864 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(-c3ccccn3)n[nH]2)[C@H](C)C1 ZINC001177844748 1008766313 /nfs/dbraw/zinc/76/63/13/1008766313.db2.gz UYFKEEOUFFOHFM-SJLPKXTDSA-N 1 3 357.502 2.698 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001206589925 1032353367 /nfs/dbraw/zinc/35/33/67/1032353367.db2.gz IJLJYRWEWQTAJE-OAQYLSRUSA-N 1 3 359.558 2.941 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001206589925 1032353378 /nfs/dbraw/zinc/35/33/78/1032353378.db2.gz IJLJYRWEWQTAJE-OAQYLSRUSA-N 1 3 359.558 2.941 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCCCCNC/C(Cl)=C\Cl)CC[N@@H+]1C ZINC001178517998 1009016023 /nfs/dbraw/zinc/01/60/23/1009016023.db2.gz DUUDQYNMIQASCV-NKUMRXJFSA-N 1 3 350.334 2.912 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCCCCNC/C(Cl)=C\Cl)CC[N@H+]1C ZINC001178517998 1009016039 /nfs/dbraw/zinc/01/60/39/1009016039.db2.gz DUUDQYNMIQASCV-NKUMRXJFSA-N 1 3 350.334 2.912 20 0 FFADHO O[C@@H](COc1cccc2[nH]ccc21)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134870470 1009497067 /nfs/dbraw/zinc/49/70/67/1009497067.db2.gz XEHIBGBQSTXULB-HGHGUNKESA-N 1 3 369.509 2.856 20 0 FFADHO O[C@@H](COc1cccc2[nH]ccc21)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134870470 1009497076 /nfs/dbraw/zinc/49/70/76/1009497076.db2.gz XEHIBGBQSTXULB-HGHGUNKESA-N 1 3 369.509 2.856 20 0 FFADHO Cc1cccc(N(C(=O)CN(C)C2CCCC2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001180627087 1009775259 /nfs/dbraw/zinc/77/52/59/1009775259.db2.gz BHQSDAZOGCAIDG-IRLDBZIGSA-N 1 3 371.525 2.723 20 0 FFADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862275003 1009778933 /nfs/dbraw/zinc/77/89/33/1009778933.db2.gz IUDRGOWZILKXLN-CRAIPNDOSA-N 1 3 367.534 2.617 20 0 FFADHO Cc1ncc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1C ZINC001206792803 1032430487 /nfs/dbraw/zinc/43/04/87/1032430487.db2.gz MEEAZNKZTPCHQT-FQEVSTJZSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1ncc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1C ZINC001206792803 1032430488 /nfs/dbraw/zinc/43/04/88/1032430488.db2.gz MEEAZNKZTPCHQT-FQEVSTJZSA-N 1 3 368.525 2.984 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001093286993 1010220750 /nfs/dbraw/zinc/22/07/50/1010220750.db2.gz HUCHAOPESUBJSL-KKVAFCGZSA-N 1 3 370.472 2.853 20 0 FFADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001182015324 1010361392 /nfs/dbraw/zinc/36/13/92/1010361392.db2.gz ZWAPSBZVZXIQKL-HXUWFJFHSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cc(Cl)ccc1F ZINC001093673699 1010455599 /nfs/dbraw/zinc/45/55/99/1010455599.db2.gz UZHJZRQCWCYMHI-DDUZABMNSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001093825236 1010599403 /nfs/dbraw/zinc/59/94/03/1010599403.db2.gz AMBKJWXWCKUFMR-NVXWUHKLSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001093839372 1010609698 /nfs/dbraw/zinc/60/96/98/1010609698.db2.gz LMYUPCPIZLFTQF-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1)N(C)C ZINC001094049127 1010808412 /nfs/dbraw/zinc/80/84/12/1010808412.db2.gz IAPYPDIFOGXFQB-SIIHOXLZSA-N 1 3 367.921 2.570 20 0 FFADHO C[C@H]1C[C@@H](NCc2ccnc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000865681733 1010841326 /nfs/dbraw/zinc/84/13/26/1010841326.db2.gz WRBZTMSRZQFRIV-PXNSSMCTSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@H]1C[C@@H](NCc2ccnc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000865681733 1010841330 /nfs/dbraw/zinc/84/13/30/1010841330.db2.gz WRBZTMSRZQFRIV-PXNSSMCTSA-N 1 3 362.481 2.805 20 0 FFADHO c1ncn(-c2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)ccn2)n1 ZINC000866436819 1010994748 /nfs/dbraw/zinc/99/47/48/1010994748.db2.gz XQQYHFWSOWGRKB-MZADTFQBSA-N 1 3 374.492 2.948 20 0 FFADHO Cc1cccc(CN2CCO[C@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)c1 ZINC000866556175 1011015910 /nfs/dbraw/zinc/01/59/10/1011015910.db2.gz YRZVPENKHDUDNU-JOCHJYFZSA-N 1 3 357.542 2.660 20 0 FFADHO CCCN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCN(C)C1 ZINC000645154903 1011359784 /nfs/dbraw/zinc/35/97/84/1011359784.db2.gz UFDDZYBYHPGABJ-OAQYLSRUSA-N 1 3 372.557 2.819 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000645183598 1011375793 /nfs/dbraw/zinc/37/57/93/1011375793.db2.gz HGCYYCYOWWPZKA-GHTZIAJQSA-N 1 3 369.534 2.933 20 0 FFADHO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171631220 1011392386 /nfs/dbraw/zinc/39/23/86/1011392386.db2.gz GJFLVXNMJCMCHM-OXQOHEQNSA-N 1 3 352.519 2.682 20 0 FFADHO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171631220 1011392395 /nfs/dbraw/zinc/39/23/95/1011392395.db2.gz GJFLVXNMJCMCHM-OXQOHEQNSA-N 1 3 352.519 2.682 20 0 FFADHO C[NH+]1CCC(C)(C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001274402678 1011424118 /nfs/dbraw/zinc/42/41/18/1011424118.db2.gz WMESPUXBBBBEEK-NRFANRHFSA-N 1 3 358.530 2.561 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000645473256 1011494907 /nfs/dbraw/zinc/49/49/07/1011494907.db2.gz WPAWEGXDHZUCJA-NRFANRHFSA-N 1 3 351.494 2.772 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCN1C1CC1 ZINC001172001227 1011560267 /nfs/dbraw/zinc/56/02/67/1011560267.db2.gz ZMECDHOMQYWUGV-UYWIDEMCSA-N 1 3 353.510 2.640 20 0 FFADHO OC1CCN(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172074772 1011611695 /nfs/dbraw/zinc/61/16/95/1011611695.db2.gz XPCUOJQQJRJGDB-MZADTFQBSA-N 1 3 357.542 2.618 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C[C@@H](c4cncnc4)CO3)CC1)C2 ZINC001172118811 1011652349 /nfs/dbraw/zinc/65/23/49/1011652349.db2.gz QMUJUNNHDWQMKP-RSPOEFSDSA-N 1 3 356.514 2.830 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H](N2CCC([NH3+])(Cc3cccc(OC)c3)CC2)C1 ZINC001172609310 1011881407 /nfs/dbraw/zinc/88/14/07/1011881407.db2.gz PIKNWMAQQIPKHV-ZWKOTPCHSA-N 1 3 360.498 2.763 20 0 FFADHO COC(=O)N1CCC(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001172740722 1011978124 /nfs/dbraw/zinc/97/81/24/1011978124.db2.gz NCBFYGPYUARWAW-OAQYLSRUSA-N 1 3 357.498 2.815 20 0 FFADHO COC(=O)N1CCC(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001172740722 1011978138 /nfs/dbraw/zinc/97/81/38/1011978138.db2.gz NCBFYGPYUARWAW-OAQYLSRUSA-N 1 3 357.498 2.815 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542147 1012021389 /nfs/dbraw/zinc/02/13/89/1012021389.db2.gz YEVXSWIDVINELQ-PMACEKPBSA-N 1 3 358.530 2.852 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC([NH+]3CCC(OC)CC3)CC2)CC1 ZINC001172801162 1012052811 /nfs/dbraw/zinc/05/28/11/1012052811.db2.gz FKUFWTCOYQWWQK-SJORKVTESA-N 1 3 352.519 2.684 20 0 FFADHO COc1ccccc1[C@H](N)CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000646603226 1012060002 /nfs/dbraw/zinc/06/00/02/1012060002.db2.gz IIMMXAXUUBYLTR-QGZVFWFLSA-N 1 3 367.449 2.933 20 0 FFADHO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172955291 1012161089 /nfs/dbraw/zinc/16/10/89/1012161089.db2.gz QKYAVKAYIOPGLA-KZNAEPCWSA-N 1 3 369.550 2.865 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646927541 1012280623 /nfs/dbraw/zinc/28/06/23/1012280623.db2.gz MWRADKLWPLZUAV-QWFCFKBJSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646927541 1012280645 /nfs/dbraw/zinc/28/06/45/1012280645.db2.gz MWRADKLWPLZUAV-QWFCFKBJSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@H]2c1ccccc1 ZINC001275323955 1012298179 /nfs/dbraw/zinc/29/81/79/1012298179.db2.gz FAYRIHAIWBICPO-RLLQIKCJSA-N 1 3 355.526 2.870 20 0 FFADHO O[C@H](CN1CCCC1)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796360308 1012362992 /nfs/dbraw/zinc/36/29/92/1012362992.db2.gz AWWWZPGSXHLWQH-FGZHOGPDSA-N 1 3 354.494 2.679 20 0 FFADHO O[C@H](CN1CCCC1)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796360308 1012363003 /nfs/dbraw/zinc/36/30/03/1012363003.db2.gz AWWWZPGSXHLWQH-FGZHOGPDSA-N 1 3 354.494 2.679 20 0 FFADHO O[C@H](CN1CCCC1)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796360310 1012363175 /nfs/dbraw/zinc/36/31/75/1012363175.db2.gz AWWWZPGSXHLWQH-YADHBBJMSA-N 1 3 354.494 2.679 20 0 FFADHO O[C@H](CN1CCCC1)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796360310 1012363187 /nfs/dbraw/zinc/36/31/87/1012363187.db2.gz AWWWZPGSXHLWQH-YADHBBJMSA-N 1 3 354.494 2.679 20 0 FFADHO OC1(CNCc2cnc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000718831032 1012386535 /nfs/dbraw/zinc/38/65/35/1012386535.db2.gz QWYIWCMNPRUYAB-UHFFFAOYSA-N 1 3 351.903 2.913 20 0 FFADHO c1cc2n(n1)C[C@H](C[NH2+]C[C@@H]1CCCCN(Cc3ccccc3)C1)CN2 ZINC000648037136 1012676485 /nfs/dbraw/zinc/67/64/85/1012676485.db2.gz GVSFQVZCYCQBBN-VQTJNVASSA-N 1 3 353.514 2.817 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3)C2)C1=O ZINC001275603650 1012684335 /nfs/dbraw/zinc/68/43/35/1012684335.db2.gz YJAXCKAHFYRKFS-QFIPXVFZSA-N 1 3 351.494 2.826 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3)C2)C1=O ZINC001275603650 1012684341 /nfs/dbraw/zinc/68/43/41/1012684341.db2.gz YJAXCKAHFYRKFS-QFIPXVFZSA-N 1 3 351.494 2.826 20 0 FFADHO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)c1 ZINC001095240964 1012823022 /nfs/dbraw/zinc/82/30/22/1012823022.db2.gz LBSSAZQYSOIKLM-HZEGPAAWSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)c1 ZINC001095240964 1012823042 /nfs/dbraw/zinc/82/30/42/1012823042.db2.gz LBSSAZQYSOIKLM-HZEGPAAWSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCN2C)C3)c1 ZINC001095240964 1012823066 /nfs/dbraw/zinc/82/30/66/1012823066.db2.gz LBSSAZQYSOIKLM-HZEGPAAWSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCN2C)C3)c1 ZINC001095240964 1012823083 /nfs/dbraw/zinc/82/30/83/1012823083.db2.gz LBSSAZQYSOIKLM-HZEGPAAWSA-N 1 3 371.525 2.790 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(F)c(Cl)c3)CC2)C1=O ZINC001275675790 1012827492 /nfs/dbraw/zinc/82/74/92/1012827492.db2.gz OCBFKAGVPRTLJR-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925325249 1017708548 /nfs/dbraw/zinc/70/85/48/1017708548.db2.gz GDYPTLWZEGWLIV-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925325249 1017708558 /nfs/dbraw/zinc/70/85/58/1017708558.db2.gz GDYPTLWZEGWLIV-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO CC1(C)[C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)[C@@H]2CCCN[C@@H]21 ZINC000925564388 1017787649 /nfs/dbraw/zinc/78/76/49/1017787649.db2.gz ILOSFFHWBKFBOM-LSTHTHJFSA-N 1 3 372.509 2.830 20 0 FFADHO [NH3+]CCC[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000925638818 1017807715 /nfs/dbraw/zinc/80/77/15/1017807715.db2.gz GLRFKVHHXQWSRU-HXUWFJFHSA-N 1 3 373.522 2.796 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C3)c1 ZINC001097718249 1017840634 /nfs/dbraw/zinc/84/06/34/1017840634.db2.gz AZXMHMKQHUKNHK-URZNZNTCSA-N 1 3 355.526 2.947 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C3)c1 ZINC001097718249 1017840655 /nfs/dbraw/zinc/84/06/55/1017840655.db2.gz AZXMHMKQHUKNHK-URZNZNTCSA-N 1 3 355.526 2.947 20 0 FFADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1F ZINC000925768985 1017844702 /nfs/dbraw/zinc/84/47/02/1017844702.db2.gz ADXNRPSZGGQGSW-QKLQHJQFSA-N 1 3 360.404 2.844 20 0 FFADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1F ZINC000925768989 1017844863 /nfs/dbraw/zinc/84/48/63/1017844863.db2.gz ADXNRPSZGGQGSW-SQGPQFPESA-N 1 3 360.404 2.844 20 0 FFADHO COC(=O)c1csc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000925818361 1017861879 /nfs/dbraw/zinc/86/18/79/1017861879.db2.gz VFXYDHOEXLGYST-HNNXBMFYSA-N 1 3 373.522 2.791 20 0 FFADHO Cc1ccc(OC(F)F)c([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925853670 1017874306 /nfs/dbraw/zinc/87/43/06/1017874306.db2.gz KAUHQHMPOWGXSU-UONOGXRCSA-N 1 3 368.424 2.932 20 0 FFADHO Cc1c([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1-c1ccccc1 ZINC000925855076 1017877524 /nfs/dbraw/zinc/87/75/24/1017877524.db2.gz OFHDDWBUYWLCEM-MAUKXSAKSA-N 1 3 368.481 2.517 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)c2)CC1 ZINC000926097005 1017963371 /nfs/dbraw/zinc/96/33/71/1017963371.db2.gz YFTZPRGRLGHAFM-OAQYLSRUSA-N 1 3 371.529 2.578 20 0 FFADHO C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000926136649 1017980192 /nfs/dbraw/zinc/98/01/92/1017980192.db2.gz LLAKNZCIKIQVDJ-UWJYYQICSA-N 1 3 366.509 2.985 20 0 FFADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000926136210 1017980618 /nfs/dbraw/zinc/98/06/18/1017980618.db2.gz HTZFGXWOFMMWMI-SDZDHKAXSA-N 1 3 355.526 2.934 20 0 FFADHO Clc1ncccc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137423658 1018179384 /nfs/dbraw/zinc/17/93/84/1018179384.db2.gz NHQQKNYAUUMDFH-UHFFFAOYSA-N 1 3 359.905 2.976 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)CC[N@@H+]1C ZINC001041296943 1018770566 /nfs/dbraw/zinc/77/05/66/1018770566.db2.gz LLDIHFHZIPJMMW-BSIFCXSSSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)CC[N@H+]1C ZINC001041296943 1018770581 /nfs/dbraw/zinc/77/05/81/1018770581.db2.gz LLDIHFHZIPJMMW-BSIFCXSSSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000901170766 1018787564 /nfs/dbraw/zinc/78/75/64/1018787564.db2.gz DYDNNUDSKOSSEL-LSTHTHJFSA-N 1 3 356.514 2.740 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000901170766 1018787579 /nfs/dbraw/zinc/78/75/79/1018787579.db2.gz DYDNNUDSKOSSEL-LSTHTHJFSA-N 1 3 356.514 2.740 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CCC[N@H+](C)C3)c(C)c2)CC1 ZINC000929322088 1019366147 /nfs/dbraw/zinc/36/61/47/1019366147.db2.gz PUOPXOULWCANHE-LJQANCHMSA-N 1 3 373.545 2.695 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)c(C)c2)CC1 ZINC000929322088 1019366165 /nfs/dbraw/zinc/36/61/65/1019366165.db2.gz PUOPXOULWCANHE-LJQANCHMSA-N 1 3 373.545 2.695 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC34CC[NH+](C)CC4)cc2)CC1 ZINC000929349482 1019379559 /nfs/dbraw/zinc/37/95/59/1019379559.db2.gz MLIZWMRIHZYIHF-UHFFFAOYSA-N 1 3 371.529 2.531 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(COC[C@H]2CCC3(C[NH2+]C3)O2)O1 ZINC001217797966 1032874695 /nfs/dbraw/zinc/87/46/95/1032874695.db2.gz GJPSYZYBSANOEK-TZIWHRDSSA-N 1 3 374.525 2.594 20 0 FFADHO CCc1ccc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1 ZINC001096356891 1020208382 /nfs/dbraw/zinc/20/83/82/1020208382.db2.gz ZWFFQVNFVQDTEG-HKBOAZHASA-N 1 3 367.537 2.609 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(C)C)CC1 ZINC001071106382 1020220053 /nfs/dbraw/zinc/22/00/53/1020220053.db2.gz HKUQQUXIRJIHFH-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO COc1c(C)cnc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000397541659 1020290241 /nfs/dbraw/zinc/29/02/41/1020290241.db2.gz BELGRSQLMCZJSF-UHFFFAOYSA-N 1 3 369.509 2.824 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C/C=C/c2ccccc2)C3)CC[N@@H+]1C ZINC001072752268 1020301246 /nfs/dbraw/zinc/30/12/46/1020301246.db2.gz BYAZSTYYUYJHHL-KXDZFCSZSA-N 1 3 367.537 2.964 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C/C=C/c2ccccc2)C3)CC[N@H+]1C ZINC001072752268 1020301251 /nfs/dbraw/zinc/30/12/51/1020301251.db2.gz BYAZSTYYUYJHHL-KXDZFCSZSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1noc2nc(O[C@H]3CC[N@H+](Cc4ccccc4)C3)c3c(c12)CCNC3 ZINC001217944553 1032911573 /nfs/dbraw/zinc/91/15/73/1032911573.db2.gz FKAPUFUMJHENLJ-INIZCTEOSA-N 1 3 364.449 2.830 20 0 FFADHO Cc1noc2nc(O[C@H]3CC[N@@H+](Cc4ccccc4)C3)c3c(c12)CCNC3 ZINC001217944553 1032911582 /nfs/dbraw/zinc/91/15/82/1032911582.db2.gz FKAPUFUMJHENLJ-INIZCTEOSA-N 1 3 364.449 2.830 20 0 FFADHO CC(C)[C@H]1C[C@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000933628002 1021053715 /nfs/dbraw/zinc/05/37/15/1021053715.db2.gz MRFOYYMGOLAHQM-RTBURBONSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1CCC[C@H](C[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703640 1021367702 /nfs/dbraw/zinc/36/77/02/1021367702.db2.gz FSRICYCHTYSZTI-YLJYHZDGSA-N 1 3 357.502 2.740 20 0 FFADHO CC[N@@H+]1CCC[C@H](CN[C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703640 1021367716 /nfs/dbraw/zinc/36/77/16/1021367716.db2.gz FSRICYCHTYSZTI-YLJYHZDGSA-N 1 3 357.502 2.740 20 0 FFADHO CC[N@H+]1CCC[C@H](CN[C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703640 1021367731 /nfs/dbraw/zinc/36/77/31/1021367731.db2.gz FSRICYCHTYSZTI-YLJYHZDGSA-N 1 3 357.502 2.740 20 0 FFADHO c1nn(CC[NH+]2CCCC2)cc1-c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001222488215 1033006257 /nfs/dbraw/zinc/00/62/57/1033006257.db2.gz JZOXGNVBZWDFRI-OAQYLSRUSA-N 1 3 365.481 2.560 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCOC)C(C)C ZINC001111164450 1022164548 /nfs/dbraw/zinc/16/45/48/1022164548.db2.gz ZWJRTJITRDCCRQ-ZRNYENFQSA-N 1 3 367.578 2.891 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001099345498 1022336118 /nfs/dbraw/zinc/33/61/18/1022336118.db2.gz DOAKDKSWEINMET-IAGOWNOFSA-N 1 3 369.431 2.751 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C(F)(F)F ZINC001099346120 1022339241 /nfs/dbraw/zinc/33/92/41/1022339241.db2.gz IHWKZAZGDPAERB-HZPDHXFCSA-N 1 3 357.420 2.749 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1C ZINC001111230342 1022506009 /nfs/dbraw/zinc/50/60/09/1022506009.db2.gz MAWPIMFESDHFOH-AQNXPRMDSA-N 1 3 373.541 2.827 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1C ZINC001111230342 1022506021 /nfs/dbraw/zinc/50/60/21/1022506021.db2.gz MAWPIMFESDHFOH-AQNXPRMDSA-N 1 3 373.541 2.827 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001099506519 1022647790 /nfs/dbraw/zinc/64/77/90/1022647790.db2.gz QCXCQPHIYLLEGA-UGKGYDQZSA-N 1 3 366.509 2.933 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC ZINC001111262151 1022790929 /nfs/dbraw/zinc/79/09/29/1022790929.db2.gz CGZCDPYNGVOBRJ-YSTOQKLRSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCOC ZINC001111262151 1022790939 /nfs/dbraw/zinc/79/09/39/1022790939.db2.gz CGZCDPYNGVOBRJ-YSTOQKLRSA-N 1 3 365.562 2.789 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](c4cccc(F)c4)CC3=O)C[C@@H]2C1 ZINC001120359554 1023314207 /nfs/dbraw/zinc/31/42/07/1023314207.db2.gz MEKLXCHHGPWCHN-DOADOZAASA-N 1 3 359.489 2.761 20 0 FFADHO C[C@](O)(CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001120590225 1023374137 /nfs/dbraw/zinc/37/41/37/1023374137.db2.gz JZMFFSUSUMJVPP-VXKWHMMOSA-N 1 3 354.494 2.511 20 0 FFADHO C[C@](O)(CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001120590225 1023374141 /nfs/dbraw/zinc/37/41/41/1023374141.db2.gz JZMFFSUSUMJVPP-VXKWHMMOSA-N 1 3 354.494 2.511 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CCCC3(C)C)cc2)CC1 ZINC000755054985 1023560177 /nfs/dbraw/zinc/56/01/77/1023560177.db2.gz INTIMWXNZDMESS-LJQANCHMSA-N 1 3 358.530 2.935 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2c(C)cccc2Cl)CC[N@@H+]1C ZINC001491460309 1023607973 /nfs/dbraw/zinc/60/79/73/1023607973.db2.gz BPXXFUZJMSDVBR-RLFYNMQTSA-N 1 3 351.922 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2c(C)cccc2Cl)CC[N@H+]1C ZINC001491460309 1023607977 /nfs/dbraw/zinc/60/79/77/1023607977.db2.gz BPXXFUZJMSDVBR-RLFYNMQTSA-N 1 3 351.922 2.973 20 0 FFADHO C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001111297521 1023651325 /nfs/dbraw/zinc/65/13/25/1023651325.db2.gz IMLRSFWLLSYWER-NRSPTQNISA-N 1 3 373.541 2.909 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001101257963 1024224193 /nfs/dbraw/zinc/22/41/93/1024224193.db2.gz VRYVPIUYVWFSAS-AOIWGVFYSA-N 1 3 367.534 2.708 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001101257963 1024224200 /nfs/dbraw/zinc/22/42/00/1024224200.db2.gz VRYVPIUYVWFSAS-AOIWGVFYSA-N 1 3 367.534 2.708 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@@]2(C)C1 ZINC001101345153 1024508070 /nfs/dbraw/zinc/50/80/70/1024508070.db2.gz WDEQUHSGKVKJCE-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c(C)c1 ZINC001101478529 1024849897 /nfs/dbraw/zinc/84/98/97/1024849897.db2.gz SFDRTDVEKOFPBG-IRLDBZIGSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c(C)c1 ZINC001101478529 1024849916 /nfs/dbraw/zinc/84/99/16/1024849916.db2.gz SFDRTDVEKOFPBG-IRLDBZIGSA-N 1 3 357.542 2.924 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001102015936 1025301133 /nfs/dbraw/zinc/30/11/33/1025301133.db2.gz VUJWAEWBJNTMRU-SUMDDJOVSA-N 1 3 367.484 2.690 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C ZINC001102015936 1025301141 /nfs/dbraw/zinc/30/11/41/1025301141.db2.gz VUJWAEWBJNTMRU-SUMDDJOVSA-N 1 3 367.484 2.690 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047551 1025352719 /nfs/dbraw/zinc/35/27/19/1025352719.db2.gz KVFUMNVVSYWGBB-PMTHEBNHSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047551 1025352733 /nfs/dbraw/zinc/35/27/33/1025352733.db2.gz KVFUMNVVSYWGBB-PMTHEBNHSA-N 1 3 355.526 2.724 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000637720349 1025546929 /nfs/dbraw/zinc/54/69/29/1025546929.db2.gz VHTIPKRVBMZDAF-IHPCNDPISA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000637720349 1025546941 /nfs/dbraw/zinc/54/69/41/1025546941.db2.gz VHTIPKRVBMZDAF-IHPCNDPISA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1C ZINC001102369877 1025823012 /nfs/dbraw/zinc/82/30/12/1025823012.db2.gz JLKYVJKYSTZKAY-OZOXKJRCSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1C ZINC001102369877 1025823028 /nfs/dbraw/zinc/82/30/28/1025823028.db2.gz JLKYVJKYSTZKAY-OZOXKJRCSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]2C)C1 ZINC001102370198 1025831563 /nfs/dbraw/zinc/83/15/63/1025831563.db2.gz UGGXYWSDYIUXGK-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]2C)C1 ZINC001102370198 1025831579 /nfs/dbraw/zinc/83/15/79/1025831579.db2.gz UGGXYWSDYIUXGK-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001102373088 1025836739 /nfs/dbraw/zinc/83/67/39/1025836739.db2.gz USLFXNTVNYUENX-ZZFQSTSSSA-N 1 3 359.917 2.636 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001102373088 1025836763 /nfs/dbraw/zinc/83/67/63/1025836763.db2.gz USLFXNTVNYUENX-ZZFQSTSSSA-N 1 3 359.917 2.636 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1C)N(C)C ZINC001102378452 1025848722 /nfs/dbraw/zinc/84/87/22/1025848722.db2.gz WUHRPVCKPDGNQE-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1C)N(C)C ZINC001102378452 1025848745 /nfs/dbraw/zinc/84/87/45/1025848745.db2.gz WUHRPVCKPDGNQE-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1C)N(C)C ZINC001102378505 1025849882 /nfs/dbraw/zinc/84/98/82/1025849882.db2.gz ZLWWTOGYQUOGRX-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C)N(C)C ZINC001102378505 1025849899 /nfs/dbraw/zinc/84/98/99/1025849899.db2.gz ZLWWTOGYQUOGRX-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639025426 1026137003 /nfs/dbraw/zinc/13/70/03/1026137003.db2.gz RTVGNJZVDJIQLM-QWFCFKBJSA-N 1 3 359.489 2.638 20 0 FFADHO [NH3+][C@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000639028504 1026139020 /nfs/dbraw/zinc/13/90/20/1026139020.db2.gz ALFVSWRWAIPURZ-BQFCYCMXSA-N 1 3 369.431 2.827 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001102525036 1026213230 /nfs/dbraw/zinc/21/32/30/1026213230.db2.gz IXFXAYFHTIDPQZ-SJLPKXTDSA-N 1 3 351.560 2.707 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001102525036 1026213244 /nfs/dbraw/zinc/21/32/44/1026213244.db2.gz IXFXAYFHTIDPQZ-SJLPKXTDSA-N 1 3 351.560 2.707 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102525190 1026213746 /nfs/dbraw/zinc/21/37/46/1026213746.db2.gz PKSIVLXNWWNKGU-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102525190 1026213751 /nfs/dbraw/zinc/21/37/51/1026213751.db2.gz PKSIVLXNWWNKGU-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)c(C)s1 ZINC001102532496 1026247077 /nfs/dbraw/zinc/24/70/77/1026247077.db2.gz PIPCGRVXJBDMGE-SJKOYZFVSA-N 1 3 360.527 2.823 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)c(C)s1 ZINC001102532496 1026247089 /nfs/dbraw/zinc/24/70/89/1026247089.db2.gz PIPCGRVXJBDMGE-SJKOYZFVSA-N 1 3 360.527 2.823 20 0 FFADHO Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601017 1026400751 /nfs/dbraw/zinc/40/07/51/1026400751.db2.gz HAOBQKLPSRQYMJ-NVXWUHKLSA-N 1 3 364.534 2.631 20 0 FFADHO Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601017 1026400758 /nfs/dbraw/zinc/40/07/58/1026400758.db2.gz HAOBQKLPSRQYMJ-NVXWUHKLSA-N 1 3 364.534 2.631 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1C[C@@H](C[N@@H+]1CCC[C@@H](CO)[C@@H]1C)c1ccccc1 ZINC000639677324 1026427962 /nfs/dbraw/zinc/42/79/62/1026427962.db2.gz LRCGSDYCTGWNPD-UCBRCEGISA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1C[C@@H](C[N@H+]1CCC[C@@H](CO)[C@@H]1C)c1ccccc1 ZINC000639677324 1026427964 /nfs/dbraw/zinc/42/79/64/1026427964.db2.gz LRCGSDYCTGWNPD-UCBRCEGISA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@@H](CN1CCC[C@@H](CO)[C@@H]1C)c1ccccc1 ZINC000639677324 1026427968 /nfs/dbraw/zinc/42/79/68/1026427968.db2.gz LRCGSDYCTGWNPD-UCBRCEGISA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](CN1CCC[C@@H](CO)[C@@H]1C)c1ccccc1 ZINC000639677324 1026427973 /nfs/dbraw/zinc/42/79/73/1026427973.db2.gz LRCGSDYCTGWNPD-UCBRCEGISA-N 1 3 374.569 2.956 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001103086401 1026946744 /nfs/dbraw/zinc/94/67/44/1026946744.db2.gz ALPBXAHTTKCRGR-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001103086401 1026946754 /nfs/dbraw/zinc/94/67/54/1026946754.db2.gz ALPBXAHTTKCRGR-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001103086597 1026947180 /nfs/dbraw/zinc/94/71/80/1026947180.db2.gz JUSUODWXKPMMAA-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001103086597 1026947185 /nfs/dbraw/zinc/94/71/85/1026947185.db2.gz JUSUODWXKPMMAA-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087189 1026948066 /nfs/dbraw/zinc/94/80/66/1026948066.db2.gz ACIWNLGHXJCAOZ-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103087189 1026948070 /nfs/dbraw/zinc/94/80/70/1026948070.db2.gz ACIWNLGHXJCAOZ-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)C[C@H]1C ZINC001103158077 1027012572 /nfs/dbraw/zinc/01/25/72/1027012572.db2.gz RKHAXQVZIJAFIB-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)C[C@H]1C ZINC001103158077 1027012580 /nfs/dbraw/zinc/01/25/80/1027012580.db2.gz RKHAXQVZIJAFIB-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO CN1CCC(N(c2ccc(COC3CCC3)cn2)C2CC[NH2+]CC2)CC1 ZINC001158588897 1027070467 /nfs/dbraw/zinc/07/04/67/1027070467.db2.gz JJKGLAHFPVTNET-UHFFFAOYSA-N 1 3 358.530 2.803 20 0 FFADHO N[C@@H](c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1)C1CCOCC1 ZINC000641179196 1027152776 /nfs/dbraw/zinc/15/27/76/1027152776.db2.gz FVUGBTGSYAZJPN-OAQYLSRUSA-N 1 3 369.513 2.739 20 0 FFADHO CC1(C)[C@H]([NH2+]CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1N ZINC000641807145 1027315925 /nfs/dbraw/zinc/31/59/25/1027315925.db2.gz QTIXLTHCQQXODH-RBUKOAKNSA-N 1 3 351.494 2.998 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000641990226 1027378781 /nfs/dbraw/zinc/37/87/81/1027378781.db2.gz XWHWBWYFBYTJTP-HXUWFJFHSA-N 1 3 358.530 2.745 20 0 FFADHO Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001103407681 1027416416 /nfs/dbraw/zinc/41/64/16/1027416416.db2.gz PAPRVFMXJKAIHQ-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435830 1027478524 /nfs/dbraw/zinc/47/85/24/1027478524.db2.gz BFBKDBUGDDBJHE-FBBABVLZSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435830 1027478535 /nfs/dbraw/zinc/47/85/35/1027478535.db2.gz BFBKDBUGDDBJHE-FBBABVLZSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001103436146 1027481402 /nfs/dbraw/zinc/48/14/02/1027481402.db2.gz MPOAHFGZOBHMKW-QKNQBKEWSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001103436146 1027481408 /nfs/dbraw/zinc/48/14/08/1027481408.db2.gz MPOAHFGZOBHMKW-QKNQBKEWSA-N 1 3 357.542 2.911 20 0 FFADHO COc1ccc(CN2CC=C(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001160175295 1027622519 /nfs/dbraw/zinc/62/25/19/1027622519.db2.gz KMSHIRMTBOPRMR-DYESRHJHSA-N 1 3 371.525 2.674 20 0 FFADHO COc1ccc(CN2CC=C(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC001160175295 1027622523 /nfs/dbraw/zinc/62/25/23/1027622523.db2.gz KMSHIRMTBOPRMR-DYESRHJHSA-N 1 3 371.525 2.674 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001103613899 1027780950 /nfs/dbraw/zinc/78/09/50/1027780950.db2.gz ABMCDDBVTREWTE-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001103613899 1027780967 /nfs/dbraw/zinc/78/09/67/1027780967.db2.gz ABMCDDBVTREWTE-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CC(C)(C[NH3+])c1cn(-c2nc(Cl)nc3c2CCNC3)c2ccccc12 ZINC001160842073 1027894316 /nfs/dbraw/zinc/89/43/16/1027894316.db2.gz BJNQGSPMUKFVSD-UHFFFAOYSA-N 1 3 355.873 2.956 20 0 FFADHO CN1CCC[C@@H]2CN(C(=O)c3c(Cl)cc4c(c3Cl)CC[NH2+]C4)C[C@H]21 ZINC001161085462 1028005109 /nfs/dbraw/zinc/00/51/09/1028005109.db2.gz YJGREJOQMJIIMH-IAQYHMDHSA-N 1 3 368.308 2.805 20 0 FFADHO CN(CCN(C)C(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC001161160615 1028041381 /nfs/dbraw/zinc/04/13/81/1028041381.db2.gz CFJZWSJPDJWFSX-VXKWHMMOSA-N 1 3 365.521 2.970 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1C ZINC001103757209 1028143929 /nfs/dbraw/zinc/14/39/29/1028143929.db2.gz QOORNNGCYDJCAI-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1C ZINC001103757209 1028143937 /nfs/dbraw/zinc/14/39/37/1028143937.db2.gz QOORNNGCYDJCAI-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1C ZINC001103757168 1028144667 /nfs/dbraw/zinc/14/46/67/1028144667.db2.gz OVHZHPNRWHJIIR-NUJGCVRESA-N 1 3 364.559 2.592 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1C ZINC001103757168 1028144676 /nfs/dbraw/zinc/14/46/76/1028144676.db2.gz OVHZHPNRWHJIIR-NUJGCVRESA-N 1 3 364.559 2.592 20 0 FFADHO COc1ccc([C@@H](C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC001161447235 1028179823 /nfs/dbraw/zinc/17/98/23/1028179823.db2.gz WILJNFNRCOWTGQ-ICSRJNTNSA-N 1 3 361.530 2.577 20 0 FFADHO CCOc1c(F)cc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001161448356 1028179839 /nfs/dbraw/zinc/17/98/39/1028179839.db2.gz BVUINOTWQXGBAM-AWEZNQCLSA-N 1 3 371.884 2.634 20 0 FFADHO CN(C)CCN(C(=O)C1c2ccccc2-c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001161446082 1028180197 /nfs/dbraw/zinc/18/01/97/1028180197.db2.gz QJLZWHGZBSYCCU-KRWDZBQOSA-N 1 3 363.505 2.941 20 0 FFADHO Cc1c(C)c(C)c(CC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001161446577 1028180321 /nfs/dbraw/zinc/18/03/21/1028180321.db2.gz SNIUNTOIBUESCI-FQEVSTJZSA-N 1 3 359.558 2.913 20 0 FFADHO COc1ccc2cc(C(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)sc2c1 ZINC001161451691 1028182655 /nfs/dbraw/zinc/18/26/55/1028182655.db2.gz MIJVWECRZYOCJH-OAHLLOKOSA-N 1 3 361.511 2.666 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000644632239 1028596432 /nfs/dbraw/zinc/59/64/32/1028596432.db2.gz HHCDYRSEKWUEEI-CRAIPNDOSA-N 1 3 374.447 2.699 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000644632239 1028596445 /nfs/dbraw/zinc/59/64/45/1028596445.db2.gz HHCDYRSEKWUEEI-CRAIPNDOSA-N 1 3 374.447 2.699 20 0 FFADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc([C@H]2CCCCN2C)cn1 ZINC001162728752 1028635364 /nfs/dbraw/zinc/63/53/64/1028635364.db2.gz HHRJNDLXGUTACE-QZTJIDSGSA-N 1 3 362.518 2.782 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001162778955 1028654501 /nfs/dbraw/zinc/65/45/01/1028654501.db2.gz RYUXGZYQXCVWMV-CYBMUJFWSA-N 1 3 361.449 2.619 20 0 FFADHO O=C(c1cccc2c[nH+]cn21)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001155794079 1028913867 /nfs/dbraw/zinc/91/38/67/1028913867.db2.gz JLHIHIDDANXCEU-HOCLYGCPSA-N 1 3 367.478 2.527 20 0 FFADHO N=C(NCCCC[NH3+])Nc1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001157102244 1029467201 /nfs/dbraw/zinc/46/72/01/1029467201.db2.gz VVDNEGAFIGZHML-UHFFFAOYSA-N 1 3 367.501 2.809 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001157613520 1029630429 /nfs/dbraw/zinc/63/04/29/1029630429.db2.gz QQSGHAZBZMLUMM-HXUWFJFHSA-N 1 3 352.482 2.758 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001157613520 1029630434 /nfs/dbraw/zinc/63/04/34/1029630434.db2.gz QQSGHAZBZMLUMM-HXUWFJFHSA-N 1 3 352.482 2.758 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCOCC1)C2)N(CC)CC ZINC001111869980 1029648637 /nfs/dbraw/zinc/64/86/37/1029648637.db2.gz UNYJCQWYOKFPNL-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCOCC1)C2)N(CC)CC ZINC001111869980 1029648641 /nfs/dbraw/zinc/64/86/41/1029648641.db2.gz UNYJCQWYOKFPNL-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3nc(C4CCC4)nc4[nH]ccc43)CC2)CC1 ZINC001157848281 1029675024 /nfs/dbraw/zinc/67/50/24/1029675024.db2.gz SKZFVIVZDSHFNF-UHFFFAOYSA-N 1 3 368.529 2.689 20 0 FFADHO COc1cccc([C@H](N)CC(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001158032233 1029712199 /nfs/dbraw/zinc/71/21/99/1029712199.db2.gz RXGFJULVNCJTMS-TZIWHRDSSA-N 1 3 359.514 2.858 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005167 1029853818 /nfs/dbraw/zinc/85/38/18/1029853818.db2.gz YFCONFFFMRTTCP-UNMCSNQZSA-N 1 3 370.541 2.737 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3([NH3+])CCCCC3)cc2)CC1 ZINC000841017831 1029977355 /nfs/dbraw/zinc/97/73/55/1029977355.db2.gz INTCZRSCMIDKQN-UHFFFAOYSA-N 1 3 359.518 2.612 20 0 FFADHO c1ccc(CN2CC(CNc3cncc([C@H]4C[NH+]5CCC4CC5)n3)C2)cc1 ZINC001165442543 1029982786 /nfs/dbraw/zinc/98/27/86/1029982786.db2.gz QCCLFMYDNSNHIP-FQEVSTJZSA-N 1 3 363.509 2.830 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841283597 1030155826 /nfs/dbraw/zinc/15/58/26/1030155826.db2.gz ZHGUDVHOJOTSNZ-JXFKEZNVSA-N 1 3 368.481 2.666 20 0 FFADHO C[C@H]1C[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)CN1Cc1ccccc1 ZINC000841285579 1030159611 /nfs/dbraw/zinc/15/96/11/1030159611.db2.gz SNMZGNZROHZLIU-LPHOPBHVSA-N 1 3 368.481 2.809 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000841290832 1030164190 /nfs/dbraw/zinc/16/41/90/1030164190.db2.gz BCEXHFXUSJYEPI-HXUWFJFHSA-N 1 3 368.481 2.983 20 0 FFADHO CC[C@H](CNC(=O)N(C)C1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000841693061 1030409763 /nfs/dbraw/zinc/40/97/63/1030409763.db2.gz MHMJSBPHFFGTNF-IOJLRTSASA-N 1 3 358.530 2.735 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC(C)C)C1 ZINC001112382110 1030707757 /nfs/dbraw/zinc/70/77/57/1030707757.db2.gz FIKMTXDANZDCIA-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1)C1CC1 ZINC001112399257 1030742819 /nfs/dbraw/zinc/74/28/19/1030742819.db2.gz JXZMLTSUKFUCTR-BJLQDIEVSA-N 1 3 353.526 2.685 20 0 FFADHO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)CC23CC3)cc1 ZINC000842677940 1030894501 /nfs/dbraw/zinc/89/45/01/1030894501.db2.gz NBALXRXDSKLBRN-PWRODBHTSA-N 1 3 355.526 2.636 20 0 FFADHO O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000843126315 1031194279 /nfs/dbraw/zinc/19/42/79/1031194279.db2.gz JAZSXXDMZXRXFL-UXHICEINSA-N 1 3 357.498 2.719 20 0 FFADHO Cn1cnnc1C1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204270652 1031196783 /nfs/dbraw/zinc/19/67/83/1031196783.db2.gz XDUPRQOLRNDBEV-UHFFFAOYSA-N 1 3 357.502 2.525 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cccc4n[nH]cc43)C2)C1 ZINC001143090021 1031224098 /nfs/dbraw/zinc/22/40/98/1031224098.db2.gz FQJUCILWHNENRN-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cccc4n[nH]cc43)C2)C1 ZINC001143090021 1031224108 /nfs/dbraw/zinc/22/41/08/1031224108.db2.gz FQJUCILWHNENRN-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1CCC([NH3+])CC1 ZINC000843354727 1031346704 /nfs/dbraw/zinc/34/67/04/1031346704.db2.gz FIALLWCMPIDYKO-UHFFFAOYSA-N 1 3 367.497 2.890 20 0 FFADHO C[C@@]1(C[NH2+][C@H](Cc2ccccc2)C(N)=O)CCN(Cc2ccccc2)C1 ZINC000798395401 1031389041 /nfs/dbraw/zinc/38/90/41/1031389041.db2.gz DPKCXPJXTVLFSV-IRLDBZIGSA-N 1 3 351.494 2.585 20 0 FFADHO CN(CC(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)C1CCC1 ZINC001150134578 1031666562 /nfs/dbraw/zinc/66/65/62/1031666562.db2.gz VELAYTZUFNICHM-FGZHOGPDSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CCCF)C2)CCC1 ZINC001205620321 1031877717 /nfs/dbraw/zinc/87/77/17/1031877717.db2.gz SAACSVKYGRTNBK-FUHWJXTLSA-N 1 3 365.468 2.554 20 0 FFADHO C[NH+](C)C1(CC(=O)N2CC[C@H]3CCN(Cc4ccccn4)[C@H]3C2)CCCC1 ZINC001223200385 1033331598 /nfs/dbraw/zinc/33/15/98/1033331598.db2.gz LHWSXVSJQWOESN-QUCCMNQESA-N 1 3 370.541 2.769 20 0 FFADHO COc1ccc(-n2cccc2)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001218870102 1033389745 /nfs/dbraw/zinc/38/97/45/1033389745.db2.gz RSNNPPWCPNJCAV-KRWDZBQOSA-N 1 3 358.486 2.920 20 0 FFADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@@]2(N)CCc3cc(F)ccc3C2)cc1 ZINC001218895048 1033397248 /nfs/dbraw/zinc/39/72/48/1033397248.db2.gz FCYIIVSLDINWCD-OAQYLSRUSA-N 1 3 355.457 2.887 20 0 FFADHO Cn1cncc1C[C@H](N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001219024021 1033473530 /nfs/dbraw/zinc/47/35/30/1033473530.db2.gz OYBZKMQZSBRGMR-IBGZPJMESA-N 1 3 369.513 2.693 20 0 FFADHO Cn1cncc1C[C@H](N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001219024021 1033473535 /nfs/dbraw/zinc/47/35/35/1033473535.db2.gz OYBZKMQZSBRGMR-IBGZPJMESA-N 1 3 369.513 2.693 20 0 FFADHO Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219224203 1033562052 /nfs/dbraw/zinc/56/20/52/1033562052.db2.gz YXGHKIOJMJCSLS-INIZCTEOSA-N 1 3 354.454 2.642 20 0 FFADHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001276933319 1033655788 /nfs/dbraw/zinc/65/57/88/1033655788.db2.gz VYAJETRLFKECNQ-HBMCJLEFSA-N 1 3 357.542 2.959 20 0 FFADHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001276933319 1033655797 /nfs/dbraw/zinc/65/57/97/1033655797.db2.gz VYAJETRLFKECNQ-HBMCJLEFSA-N 1 3 357.542 2.959 20 0 FFADHO N[C@@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)C12CC3CC(CC(C3)C1)C2 ZINC001219540968 1033682933 /nfs/dbraw/zinc/68/29/33/1033682933.db2.gz JWYILQBOLDIMCQ-LNNGURNQSA-N 1 3 367.493 2.617 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001219649607 1033733409 /nfs/dbraw/zinc/73/34/09/1033733409.db2.gz KBSMCYJWUXKTOL-SZMVWBNQSA-N 1 3 363.933 2.914 20 0 FFADHO [NH3+]Cc1cccc(C(=O)NCCN2CCC(Cc3ccccc3)CC2)c1 ZINC001219668970 1033742303 /nfs/dbraw/zinc/74/23/03/1033742303.db2.gz GZWZBXFIXRVYBS-UHFFFAOYSA-N 1 3 351.494 2.830 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220254197 1034076465 /nfs/dbraw/zinc/07/64/65/1034076465.db2.gz MMGZWEYEPIOXNT-HXUWFJFHSA-N 1 3 353.510 2.927 20 0 FFADHO Cc1ccc(Cl)cc1CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277032584 1034200935 /nfs/dbraw/zinc/20/09/35/1034200935.db2.gz ROTJCFHVELLYHA-GOSISDBHSA-N 1 3 363.933 2.928 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O ZINC001220740201 1034364468 /nfs/dbraw/zinc/36/44/68/1034364468.db2.gz BQYYWCIWKNYACI-UXHICEINSA-N 1 3 367.578 2.630 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1csc2c1CC[NH2+]C2 ZINC001221063418 1034534646 /nfs/dbraw/zinc/53/46/46/1034534646.db2.gz VGTXQKLNTFMKJA-INIZCTEOSA-N 1 3 355.507 2.788 20 0 FFADHO Cc1cccc(O[C@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC001138773318 1034640890 /nfs/dbraw/zinc/64/08/90/1034640890.db2.gz ANYSSOBKDHVJFJ-FQEVSTJZSA-N 1 3 355.482 2.984 20 0 FFADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2CCC[C@H](c3ccccc3)N2)c1 ZINC001221402521 1034714351 /nfs/dbraw/zinc/71/43/51/1034714351.db2.gz CEXJWYOVXNQJRW-AQNXPRMDSA-N 1 3 353.466 2.695 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC001226553799 1034732345 /nfs/dbraw/zinc/73/23/45/1034732345.db2.gz HIUWWZBFVLTGQP-BRWVUGGUSA-N 1 3 370.538 2.648 20 0 FFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001226793167 1034844879 /nfs/dbraw/zinc/84/48/79/1034844879.db2.gz ZJVFGOQAYPSWFG-JFIYKMOQSA-N 1 3 364.921 2.592 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001226832003 1034856246 /nfs/dbraw/zinc/85/62/46/1034856246.db2.gz XJIPIOKEEQSJNZ-VAMGGRTRSA-N 1 3 365.562 2.693 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001226901854 1034879027 /nfs/dbraw/zinc/87/90/27/1034879027.db2.gz KGYSVXJVYJSNGJ-WOJBJXKFSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001226901854 1034879039 /nfs/dbraw/zinc/87/90/39/1034879039.db2.gz KGYSVXJVYJSNGJ-WOJBJXKFSA-N 1 3 360.546 2.879 20 0 FFADHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221587865 1034901138 /nfs/dbraw/zinc/90/11/38/1034901138.db2.gz LPCSMMNBSRHUBX-FORFBYLSSA-N 1 3 353.526 2.945 20 0 FFADHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221587865 1034901142 /nfs/dbraw/zinc/90/11/42/1034901142.db2.gz LPCSMMNBSRHUBX-FORFBYLSSA-N 1 3 353.526 2.945 20 0 FFADHO CC(C)OCCOc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160871 1034956124 /nfs/dbraw/zinc/95/61/24/1034956124.db2.gz NXWFXUCCEMBMDZ-UHFFFAOYSA-N 1 3 351.535 2.675 20 0 FFADHO C[C@@H](F)CCN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712594 1035005095 /nfs/dbraw/zinc/00/50/95/1035005095.db2.gz HXZWFLIVLQQSRC-KZNAEPCWSA-N 1 3 353.526 2.779 20 0 FFADHO CCc1ccc(CCN2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1 ZINC001221772238 1035055946 /nfs/dbraw/zinc/05/59/46/1035055946.db2.gz QDNKQOMWZNENOZ-NHCUHLMSSA-N 1 3 369.553 2.666 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001221777017 1035061333 /nfs/dbraw/zinc/06/13/33/1035061333.db2.gz NXUYCJXKBCRJOC-UYAOXDASSA-N 1 3 354.498 2.542 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](Cc1ccccc1C1CC1)CC2 ZINC001139881350 1035265332 /nfs/dbraw/zinc/26/53/32/1035265332.db2.gz VVRFBOOPEPOBGS-UHFFFAOYSA-N 1 3 365.521 2.888 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccccc1C1CC1)CC2 ZINC001139881350 1035265333 /nfs/dbraw/zinc/26/53/33/1035265333.db2.gz VVRFBOOPEPOBGS-UHFFFAOYSA-N 1 3 365.521 2.888 20 0 FFADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227900888 1035794252 /nfs/dbraw/zinc/79/42/52/1035794252.db2.gz RDPRKGKLXYKPRU-QZTJIDSGSA-N 1 3 353.551 2.695 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001228603732 1036201525 /nfs/dbraw/zinc/20/15/25/1036201525.db2.gz SLWUNGPCTUOIHQ-HLIPFELVSA-N 1 3 371.541 2.641 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(COC)c1)N(C)C ZINC001228647086 1036229963 /nfs/dbraw/zinc/22/99/63/1036229963.db2.gz OTHAXSFEENIYNE-AQNXPRMDSA-N 1 3 361.530 2.690 20 0 FFADHO Cc1cc(C)c(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cn1 ZINC001233006050 1036238272 /nfs/dbraw/zinc/23/82/72/1036238272.db2.gz MZIMAAPSKDBVPU-NHCUHLMSSA-N 1 3 370.541 2.606 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC001229175076 1036534651 /nfs/dbraw/zinc/53/46/51/1036534651.db2.gz WBZHHAUVQWLXJI-WOJBJXKFSA-N 1 3 367.578 2.942 20 0 FFADHO C[NH+](C)CCC(=O)c1ccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)cc1 ZINC001229302392 1036602250 /nfs/dbraw/zinc/60/22/50/1036602250.db2.gz JCIFIFSQEIQQTG-KESTWPANSA-N 1 3 360.498 2.843 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)C1CCCC1 ZINC001229869092 1036947250 /nfs/dbraw/zinc/94/72/50/1036947250.db2.gz XDMIWWMKPDMCRB-QRVBRYPASA-N 1 3 353.551 2.550 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C)c1 ZINC001229877400 1036956109 /nfs/dbraw/zinc/95/61/09/1036956109.db2.gz SCQSLNVFVOWGGX-WOJBJXKFSA-N 1 3 361.530 2.733 20 0 FFADHO Nc1cc(CN2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235158011 1037390192 /nfs/dbraw/zinc/39/01/92/1037390192.db2.gz TTYSMLGMXLZISK-HNNXBMFYSA-N 1 3 353.308 2.780 20 0 FFADHO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CCC2CC[NH+](C)CC2)n1 ZINC001207481669 1037479404 /nfs/dbraw/zinc/47/94/04/1037479404.db2.gz CSSJCIVIBPCJBO-BHDDXSALSA-N 1 3 373.541 2.870 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(F)cc(Cl)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235349392 1037495833 /nfs/dbraw/zinc/49/58/33/1037495833.db2.gz MNUXDQVRSQENHJ-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365751 1037506747 /nfs/dbraw/zinc/50/67/47/1037506747.db2.gz PESGWIDIUUZHQA-GSEOLPGOSA-N 1 3 363.496 2.730 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365751 1037506758 /nfs/dbraw/zinc/50/67/58/1037506758.db2.gz PESGWIDIUUZHQA-GSEOLPGOSA-N 1 3 363.496 2.730 20 0 FFADHO Brc1ccc(CCC[N@@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)cc1 ZINC001235369129 1037509128 /nfs/dbraw/zinc/50/91/28/1037509128.db2.gz QMIRYXSNURVEMA-CGTJXYLNSA-N 1 3 365.315 2.835 20 0 FFADHO Brc1ccc(CCC[N@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)cc1 ZINC001235369129 1037509138 /nfs/dbraw/zinc/50/91/38/1037509138.db2.gz QMIRYXSNURVEMA-CGTJXYLNSA-N 1 3 365.315 2.835 20 0 FFADHO Cc1cc(C)c(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1C ZINC001231482646 1037622319 /nfs/dbraw/zinc/62/23/19/1037622319.db2.gz ICQFUCMSDRHKNK-UHFFFAOYSA-N 1 3 367.537 2.936 20 0 FFADHO Cc1cc(C)c(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1C ZINC001231482646 1037622321 /nfs/dbraw/zinc/62/23/21/1037622321.db2.gz ICQFUCMSDRHKNK-UHFFFAOYSA-N 1 3 367.537 2.936 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001207652689 1037630603 /nfs/dbraw/zinc/63/06/03/1037630603.db2.gz HHYFIMWXRVOSEW-UIFIKXQLSA-N 1 3 359.558 2.814 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001207652689 1037630612 /nfs/dbraw/zinc/63/06/12/1037630612.db2.gz HHYFIMWXRVOSEW-UIFIKXQLSA-N 1 3 359.558 2.814 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(C)s1 ZINC001207652724 1037631468 /nfs/dbraw/zinc/63/14/68/1037631468.db2.gz IYXRTODQSRJOTC-XWIAVFTESA-N 1 3 351.560 2.888 20 0 FFADHO [NH3+][C@H](CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)c1ccccc1 ZINC001235596209 1037636548 /nfs/dbraw/zinc/63/65/48/1037636548.db2.gz GHOGOLDSFDEYAD-CEWLAPEOSA-N 1 3 355.457 2.663 20 0 FFADHO Brc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001235691122 1037688421 /nfs/dbraw/zinc/68/84/21/1037688421.db2.gz PYSKDQLVCGVBRF-INIZCTEOSA-N 1 3 366.347 2.956 20 0 FFADHO CC1(C)[NH2+][C@@H](CCN2CCN[C@H](c3cccc(Br)c3)C2)CO1 ZINC001235793456 1037748699 /nfs/dbraw/zinc/74/86/99/1037748699.db2.gz HZMJCIAUNVPRCS-HOTGVXAUSA-N 1 3 368.319 2.510 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CC1(c3ccccc3)CC1)CC2 ZINC001207831738 1037764754 /nfs/dbraw/zinc/76/47/54/1037764754.db2.gz GKMVATTZFGGIIC-UHFFFAOYSA-N 1 3 365.521 2.542 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CC1(c3ccccc3)CC1)CC2 ZINC001207831738 1037764778 /nfs/dbraw/zinc/76/47/78/1037764778.db2.gz GKMVATTZFGGIIC-UHFFFAOYSA-N 1 3 365.521 2.542 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN(Cc3cccc(Oc4ccc(O)cc4)c3)C2)C1 ZINC001236079830 1037923047 /nfs/dbraw/zinc/92/30/47/1037923047.db2.gz ZGRBQRGTCKVMIX-GOSISDBHSA-N 1 3 353.466 2.792 20 0 FFADHO CN1CCC[C@H](N2CCn3c(-c4ccccc4)cnc3C23CC[NH2+]CC3)C1 ZINC001255488310 1037969864 /nfs/dbraw/zinc/96/98/64/1037969864.db2.gz GVTYNDGERQMLQF-IBGZPJMESA-N 1 3 365.525 2.539 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001236183789 1037971375 /nfs/dbraw/zinc/97/13/75/1037971375.db2.gz JBEVDJYMOFSVJH-BTHPGYMESA-N 1 3 363.496 2.931 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001236183789 1037971391 /nfs/dbraw/zinc/97/13/91/1037971391.db2.gz JBEVDJYMOFSVJH-BTHPGYMESA-N 1 3 363.496 2.931 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(-n4cccn4)cc3Cl)[C@@H]2C1 ZINC001278870264 1037983170 /nfs/dbraw/zinc/98/31/70/1037983170.db2.gz UJXWWGSQVWQPKP-FXAWDEMLSA-N 1 3 373.932 2.593 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc(-n4cccn4)cc3Cl)[C@@H]2C1 ZINC001278870264 1037983181 /nfs/dbraw/zinc/98/31/81/1037983181.db2.gz UJXWWGSQVWQPKP-FXAWDEMLSA-N 1 3 373.932 2.593 20 0 FFADHO c1cnn(CCCN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001208077905 1038010489 /nfs/dbraw/zinc/01/04/89/1038010489.db2.gz CNIOFDREWXYHRU-YADHBBJMSA-N 1 3 372.557 2.734 20 0 FFADHO c1cnn(CCCN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001208077905 1038010512 /nfs/dbraw/zinc/01/05/12/1038010512.db2.gz CNIOFDREWXYHRU-YADHBBJMSA-N 1 3 372.557 2.734 20 0 FFADHO COc1ccc(OC)c(CN2CCN(CC3(C)CC[NH+](C)CC3)CC2)c1 ZINC001208107615 1038042465 /nfs/dbraw/zinc/04/24/65/1038042465.db2.gz WXUXVPBNPBDWJS-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO Cc1ccnc(OC2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)c1 ZINC001236533842 1038121360 /nfs/dbraw/zinc/12/13/60/1038121360.db2.gz IPVLRNODCSIKMC-UHFFFAOYSA-N 1 3 366.509 2.843 20 0 FFADHO COC(=O)c1ccccc1N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255680752 1038123915 /nfs/dbraw/zinc/12/39/15/1038123915.db2.gz IWJNIEABWFQKBX-JWTNVVGKSA-N 1 3 357.498 2.611 20 0 FFADHO CC[NH+](CC)CCN1CCN(C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC001208213863 1038143080 /nfs/dbraw/zinc/14/30/80/1038143080.db2.gz PZRPIHDXAPVVTO-GOSISDBHSA-N 1 3 361.530 2.553 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255940954 1038266137 /nfs/dbraw/zinc/26/61/37/1038266137.db2.gz JVEAVPUFMFGBFT-BRSBDYLESA-N 1 3 369.550 2.578 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@@H](OC)[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001255963941 1038277632 /nfs/dbraw/zinc/27/76/32/1038277632.db2.gz UNTQBGMFZFZVKH-FVTFTPSCSA-N 1 3 374.573 2.723 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@@H+](C3CCN(C4CC4)CC3)[C@H](C)C2)cc1 ZINC001256080041 1038367476 /nfs/dbraw/zinc/36/74/76/1038367476.db2.gz QXOZMUVFAWNFQZ-QGZVFWFLSA-N 1 3 371.525 2.606 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@H+](C3CCN(C4CC4)CC3)[C@H](C)C2)cc1 ZINC001256080041 1038367489 /nfs/dbraw/zinc/36/74/89/1038367489.db2.gz QXOZMUVFAWNFQZ-QGZVFWFLSA-N 1 3 371.525 2.606 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935441 1038594823 /nfs/dbraw/zinc/59/48/23/1038594823.db2.gz JKDHLFUCCCSGBD-WOJBJXKFSA-N 1 3 372.509 2.743 20 0 FFADHO CCOC(=O)C1=C(O)CC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208935441 1038594835 /nfs/dbraw/zinc/59/48/35/1038594835.db2.gz JKDHLFUCCCSGBD-WOJBJXKFSA-N 1 3 372.509 2.743 20 0 FFADHO C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC001256683415 1038601649 /nfs/dbraw/zinc/60/16/49/1038601649.db2.gz AQNBHKCKEOFJPO-QKHJWGRCSA-N 1 3 352.906 2.995 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001209135195 1038678472 /nfs/dbraw/zinc/67/84/72/1038678472.db2.gz XWVFVCAJABVVTF-CEXWTWQISA-N 1 3 353.551 2.504 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001209135195 1038678478 /nfs/dbraw/zinc/67/84/78/1038678478.db2.gz XWVFVCAJABVVTF-CEXWTWQISA-N 1 3 353.551 2.504 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001257027971 1038682563 /nfs/dbraw/zinc/68/25/63/1038682563.db2.gz PRXCMYFHZFUUMD-RTWAWAEBSA-N 1 3 373.541 2.646 20 0 FFADHO CN1CC2(C1)CC[NH+](CC1(F)CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001209241086 1038727413 /nfs/dbraw/zinc/72/74/13/1038727413.db2.gz IHIZFPLFNMCRRM-UHFFFAOYSA-N 1 3 355.498 2.753 20 0 FFADHO C[NH+]1CC2(C1)CCN(CC1(F)CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001209241086 1038727417 /nfs/dbraw/zinc/72/74/17/1038727417.db2.gz IHIZFPLFNMCRRM-UHFFFAOYSA-N 1 3 355.498 2.753 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccc4occc4c3)C[C@H]2CC1 ZINC001279008122 1038764782 /nfs/dbraw/zinc/76/47/82/1038764782.db2.gz TWANZDPJMYOCIO-KDURUIRLSA-N 1 3 355.482 2.665 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccc4occc4c3)C[C@H]2CC1 ZINC001279008122 1038764785 /nfs/dbraw/zinc/76/47/85/1038764785.db2.gz TWANZDPJMYOCIO-KDURUIRLSA-N 1 3 355.482 2.665 20 0 FFADHO CCN(C(=O)NCC[N@@H+]1CC[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001251372858 1039093942 /nfs/dbraw/zinc/09/39/42/1039093942.db2.gz ZNBQYNWHVMCLGQ-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NCC[N@H+]1CC[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001251372858 1039093958 /nfs/dbraw/zinc/09/39/58/1039093958.db2.gz ZNBQYNWHVMCLGQ-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]2CC1 ZINC001279065657 1039096800 /nfs/dbraw/zinc/09/68/00/1039096800.db2.gz XSKGHBHLCVGDRL-HDICACEKSA-N 1 3 355.482 2.665 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2CC1 ZINC001279065657 1039096820 /nfs/dbraw/zinc/09/68/20/1039096820.db2.gz XSKGHBHLCVGDRL-HDICACEKSA-N 1 3 355.482 2.665 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@H]2CN(Cc3ccc(F)cc3)CCO2)CC1 ZINC001258002823 1039104134 /nfs/dbraw/zinc/10/41/34/1039104134.db2.gz HAIWISSGDRSZCT-NRFANRHFSA-N 1 3 363.521 2.737 20 0 FFADHO CCOC(=O)CCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001258102321 1039173290 /nfs/dbraw/zinc/17/32/90/1039173290.db2.gz CXUOLYBWUHVXRV-GOSISDBHSA-N 1 3 361.530 2.646 20 0 FFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]Cc4ccc(Cl)nn4)(C2)CCC3)n(C)n1 ZINC001279076390 1039195828 /nfs/dbraw/zinc/19/58/28/1039195828.db2.gz OUUXLKJHZXDBSM-MOPGFXCFSA-N 1 3 374.920 2.897 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN2CCCC23CC[NH2+]CC3)cc1 ZINC001246038603 1039210631 /nfs/dbraw/zinc/21/06/31/1039210631.db2.gz ZVZRJMSSXKEFNI-LJQANCHMSA-N 1 3 374.525 2.720 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001246038603 1039210639 /nfs/dbraw/zinc/21/06/39/1039210639.db2.gz ZVZRJMSSXKEFNI-LJQANCHMSA-N 1 3 374.525 2.720 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@H+]2CCCC23CCNCC3)cc1 ZINC001246038603 1039210650 /nfs/dbraw/zinc/21/06/50/1039210650.db2.gz ZVZRJMSSXKEFNI-LJQANCHMSA-N 1 3 374.525 2.720 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001246065521 1039230918 /nfs/dbraw/zinc/23/09/18/1039230918.db2.gz PNIFBUZAZHIPHK-SLFFLAALSA-N 1 3 360.498 2.923 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001246065521 1039230928 /nfs/dbraw/zinc/23/09/28/1039230928.db2.gz PNIFBUZAZHIPHK-SLFFLAALSA-N 1 3 360.498 2.923 20 0 FFADHO C[NH2+]CCCN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246114577 1039246598 /nfs/dbraw/zinc/24/65/98/1039246598.db2.gz QBVMDFUVSYRZFT-BZUAXINKSA-N 1 3 370.534 2.654 20 0 FFADHO Brc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246353086 1039322113 /nfs/dbraw/zinc/32/21/13/1039322113.db2.gz SRZFHLMGYLSHKA-KRWDZBQOSA-N 1 3 352.320 2.755 20 0 FFADHO Brc1ccccc1C1(C[NH2+]C2CCNCC2)CCOCC1 ZINC001246367657 1039326905 /nfs/dbraw/zinc/32/69/05/1039326905.db2.gz ANANIHVGFZUXQS-UHFFFAOYSA-N 1 3 353.304 2.839 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCCC3(CCCC[NH2+]C3)CCC2)CN1 ZINC001246592794 1039407886 /nfs/dbraw/zinc/40/78/86/1039407886.db2.gz CSZMMRBUHXGZJZ-ROUUACIJSA-N 1 3 365.562 2.695 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1[C@H]1CCc3c(cccc3OC)C1)CC[NH2+]CC2 ZINC001246599349 1039410779 /nfs/dbraw/zinc/41/07/79/1039410779.db2.gz CLAHXZRFHVJYKK-PKOBYXMFSA-N 1 3 372.509 2.560 20 0 FFADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CN1 ZINC001246669450 1039433743 /nfs/dbraw/zinc/43/37/43/1039433743.db2.gz AFZHGTCZBRYJPS-NZPGVSJUSA-N 1 3 354.473 2.938 20 0 FFADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CN1 ZINC001246669450 1039433746 /nfs/dbraw/zinc/43/37/46/1039433746.db2.gz AFZHGTCZBRYJPS-NZPGVSJUSA-N 1 3 354.473 2.938 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+]([C@H]4CCN[C@@H](C)C4)C[C@H]2C3)c1 ZINC001246701289 1039440896 /nfs/dbraw/zinc/44/08/96/1039440896.db2.gz FESWUXSZRONJDC-RUENVJTFSA-N 1 3 366.509 2.808 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+]([C@H]4CCN[C@@H](C)C4)C[C@H]2C3)c1 ZINC001246701289 1039440899 /nfs/dbraw/zinc/44/08/99/1039440899.db2.gz FESWUXSZRONJDC-RUENVJTFSA-N 1 3 366.509 2.808 20 0 FFADHO CNC(=O)N[C@H]1CC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738718 1039455800 /nfs/dbraw/zinc/45/58/00/1039455800.db2.gz CHDMKWYFGPNOBJ-HLIPFELVSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@H]1CC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738718 1039455805 /nfs/dbraw/zinc/45/58/05/1039455805.db2.gz CHDMKWYFGPNOBJ-HLIPFELVSA-N 1 3 370.541 2.843 20 0 FFADHO Fc1cccc(O[C@H]2C[C@H]3CN(C4CCC5(CC[NH2+]C5)CC4)CCN3C2)c1 ZINC001246750795 1039463871 /nfs/dbraw/zinc/46/38/71/1039463871.db2.gz UEZKECLRZOCJMJ-YFWYPPOWSA-N 1 3 373.516 2.885 20 0 FFADHO c1nc(CNC2CCCC2)c2n1CCCN([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246772881 1039473823 /nfs/dbraw/zinc/47/38/23/1039473823.db2.gz RNFSSHKHRTVRNQ-GOSISDBHSA-N 1 3 357.546 2.796 20 0 FFADHO Brc1cccc([C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2)c1 ZINC001246808676 1039488863 /nfs/dbraw/zinc/48/88/63/1039488863.db2.gz YCAISQHSZGFKHW-WFVVYAPDSA-N 1 3 350.304 2.678 20 0 FFADHO CCCC[C@@H](CCC)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001258761750 1039501638 /nfs/dbraw/zinc/50/16/38/1039501638.db2.gz PMBHTEPQSGEXHZ-LJQANCHMSA-N 1 3 366.594 2.516 20 0 FFADHO CCCN1CCC([NH2+]Cc2ccc(N3CCCCS3(=O)=O)cc2)CC1 ZINC001258770692 1039506561 /nfs/dbraw/zinc/50/65/61/1039506561.db2.gz PGWJBKUFSYDPNF-UHFFFAOYSA-N 1 3 365.543 2.581 20 0 FFADHO CCC[C@H](O)C[NH+]1CCC2(C[C@@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001252781983 1039701998 /nfs/dbraw/zinc/70/19/98/1039701998.db2.gz ZERJBUGVXDGNLW-PMACEKPBSA-N 1 3 361.530 2.546 20 0 FFADHO CN(C)Cc1ccc(-c2noc([C@H]3CO[C@@]4(C3)CCC[NH2+]CC4)n2)cc1 ZINC001247928126 1040057310 /nfs/dbraw/zinc/05/73/10/1040057310.db2.gz NSWNDNFVEZWNMD-XLIONFOSSA-N 1 3 356.470 2.814 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211310088 1040074971 /nfs/dbraw/zinc/07/49/71/1040074971.db2.gz OQUWJDCAAVVYKL-YLJYHZDGSA-N 1 3 361.505 2.681 20 0 FFADHO COc1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c1 ZINC001253958781 1040474798 /nfs/dbraw/zinc/47/47/98/1040474798.db2.gz NYFDGKKEIFBLQC-GBESFXJTSA-N 1 3 362.514 2.774 20 0 FFADHO COc1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c1 ZINC001253958781 1040474803 /nfs/dbraw/zinc/47/48/03/1040474803.db2.gz NYFDGKKEIFBLQC-GBESFXJTSA-N 1 3 362.514 2.774 20 0 FFADHO N[C@H](CC1CC[NH2+]CC1)c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001248899265 1040502569 /nfs/dbraw/zinc/50/25/69/1040502569.db2.gz YZDIVXJLQOXLTG-SDSFWRRZSA-N 1 3 368.485 2.588 20 0 FFADHO CCOC(=O)C[C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035093 1040537265 /nfs/dbraw/zinc/53/72/65/1040537265.db2.gz RGOAYRLXTRRHPX-FQEVSTJZSA-N 1 3 374.525 2.679 20 0 FFADHO CCOC(=O)C[C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035093 1040537281 /nfs/dbraw/zinc/53/72/81/1040537281.db2.gz RGOAYRLXTRRHPX-FQEVSTJZSA-N 1 3 374.525 2.679 20 0 FFADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(Cl)nc1C ZINC001249036407 1040559352 /nfs/dbraw/zinc/55/93/52/1040559352.db2.gz LAHHEQVMMSSBGO-UHFFFAOYSA-N 1 3 350.938 2.811 20 0 FFADHO NCCC[NH2+]CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)nn1 ZINC001254162464 1040590311 /nfs/dbraw/zinc/59/03/11/1040590311.db2.gz BLZYRVGFCDZZOX-UHFFFAOYSA-N 1 3 357.380 2.562 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CCN(C2CC2)C1 ZINC001254389536 1040694159 /nfs/dbraw/zinc/69/41/59/1040694159.db2.gz BSBGJLZVSBNJFA-FXAWDEMLSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CCN(C2CC2)C1 ZINC001254389536 1040694166 /nfs/dbraw/zinc/69/41/66/1040694166.db2.gz BSBGJLZVSBNJFA-FXAWDEMLSA-N 1 3 362.562 2.909 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254520872 1040770587 /nfs/dbraw/zinc/77/05/87/1040770587.db2.gz YZRPTICEHCEJGR-SFTDATJTSA-N 1 3 372.557 2.621 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254520872 1040770602 /nfs/dbraw/zinc/77/06/02/1040770602.db2.gz YZRPTICEHCEJGR-SFTDATJTSA-N 1 3 372.557 2.621 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(OC)c1 ZINC001278540133 1041032572 /nfs/dbraw/zinc/03/25/72/1041032572.db2.gz MHEAUEGYCGCXCC-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO COc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c(OC)c1 ZINC001278540133 1041032586 /nfs/dbraw/zinc/03/25/86/1041032586.db2.gz MHEAUEGYCGCXCC-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C3C[C@H]4CC(=O)C[C@@H]4C3)cc2)CC1 ZINC001254925425 1041048900 /nfs/dbraw/zinc/04/89/00/1041048900.db2.gz RNIPSYRHMQBBMF-PMACEKPBSA-N 1 3 355.526 2.671 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001213934397 1041086404 /nfs/dbraw/zinc/08/64/04/1041086404.db2.gz SCOOAIUAURPEAU-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001213934397 1041086415 /nfs/dbraw/zinc/08/64/15/1041086415.db2.gz SCOOAIUAURPEAU-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213934397 1041086431 /nfs/dbraw/zinc/08/64/31/1041086431.db2.gz SCOOAIUAURPEAU-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001261295097 1041146129 /nfs/dbraw/zinc/14/61/29/1041146129.db2.gz OAVHMXLIZPYSFB-DLBZAZTESA-N 1 3 352.548 2.694 20 0 FFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccn3)CC1)C2 ZINC001255197373 1041194604 /nfs/dbraw/zinc/19/46/04/1041194604.db2.gz WCIBMXRBOPSSFC-REPLKXPHSA-N 1 3 372.513 2.569 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC001261377621 1041200469 /nfs/dbraw/zinc/20/04/69/1041200469.db2.gz YKAXRBWDWAFUBX-OAQYLSRUSA-N 1 3 366.509 2.912 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)C1 ZINC001255340022 1041275788 /nfs/dbraw/zinc/27/57/88/1041275788.db2.gz XAYCICIITQJSEB-RXVVDRJESA-N 1 3 373.541 2.646 20 0 FFADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCc1cncs1 ZINC001215228334 1041708106 /nfs/dbraw/zinc/70/81/06/1041708106.db2.gz KJUMBBBQIOPNJJ-CRAIPNDOSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCc1cncs1 ZINC001215228334 1041708117 /nfs/dbraw/zinc/70/81/17/1041708117.db2.gz KJUMBBBQIOPNJJ-CRAIPNDOSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NCC=C(Cl)Cl ZINC001215567665 1041829801 /nfs/dbraw/zinc/82/98/01/1041829801.db2.gz CNHKIFXGNSRHKG-CHWSQXEVSA-N 1 3 350.334 2.720 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NCC=C(Cl)Cl ZINC001215567665 1041829806 /nfs/dbraw/zinc/82/98/06/1041829806.db2.gz CNHKIFXGNSRHKG-CHWSQXEVSA-N 1 3 350.334 2.720 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2c(C)noc2C)C1)C(C)C ZINC001215977189 1041922202 /nfs/dbraw/zinc/92/22/02/1041922202.db2.gz JNTZIRLTCRZNNV-NIKGAXFTSA-N 1 3 364.534 2.594 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001215998915 1041927290 /nfs/dbraw/zinc/92/72/90/1041927290.db2.gz IBNJURIMZNPYPO-ZNZDAUKMSA-N 1 3 365.468 2.730 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2c(F)cccc2F)C1 ZINC001216001978 1041928955 /nfs/dbraw/zinc/92/89/55/1041928955.db2.gz MUGLIBTYPVDVOL-DNVCBOLYSA-N 1 3 367.484 2.676 20 0 FFADHO Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001262913063 1041955472 /nfs/dbraw/zinc/95/54/72/1041955472.db2.gz VNCRLYQPRJMWGR-IBGZPJMESA-N 1 3 374.577 2.717 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(F)ccc2OC)C1 ZINC001216490707 1042040625 /nfs/dbraw/zinc/04/06/25/1042040625.db2.gz KRDAZYIXPAQWIG-CRAIPNDOSA-N 1 3 365.493 2.503 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(F)ccc2OC)C1 ZINC001216490707 1042040630 /nfs/dbraw/zinc/04/06/30/1042040630.db2.gz KRDAZYIXPAQWIG-CRAIPNDOSA-N 1 3 365.493 2.503 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001216515498 1042046336 /nfs/dbraw/zinc/04/63/36/1042046336.db2.gz RHEGARAGCGFXPL-UYAOXDASSA-N 1 3 361.530 2.624 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CCC(F)(F)F ZINC001216842437 1042141267 /nfs/dbraw/zinc/14/12/67/1042141267.db2.gz CFFQPXPHMLKTTN-CZUORRHYSA-N 1 3 357.420 2.751 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001216852261 1042144290 /nfs/dbraw/zinc/14/42/90/1042144290.db2.gz SXIOLDMSJLTNRJ-UIAACRFSSA-N 1 3 361.505 2.980 20 0 FFADHO Cc1ccccc1OCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853755 1042144683 /nfs/dbraw/zinc/14/46/83/1042144683.db2.gz LLNFICCYRFHQJG-RTBURBONSA-N 1 3 361.530 2.541 20 0 FFADHO Cc1ncc(CO)c(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1[O-] ZINC001279326851 1043002090 /nfs/dbraw/zinc/00/20/90/1043002090.db2.gz VUNXKOXTWSPPGO-CALCHBBNSA-N 1 3 359.514 2.674 20 0 FFADHO Cc1ncc(CO)c(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1[O-] ZINC001279326851 1043002095 /nfs/dbraw/zinc/00/20/95/1043002095.db2.gz VUNXKOXTWSPPGO-CALCHBBNSA-N 1 3 359.514 2.674 20 0 FFADHO Cc1ncc(CO)c(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1[O-] ZINC001279326851 1043002097 /nfs/dbraw/zinc/00/20/97/1043002097.db2.gz VUNXKOXTWSPPGO-CALCHBBNSA-N 1 3 359.514 2.674 20 0 FFADHO Cc1ncc(CO)c(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1[O-] ZINC001279326851 1043002102 /nfs/dbraw/zinc/00/21/02/1043002102.db2.gz VUNXKOXTWSPPGO-CALCHBBNSA-N 1 3 359.514 2.674 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(N2CCCC2)c1 ZINC001279334511 1043008880 /nfs/dbraw/zinc/00/88/80/1043008880.db2.gz KWASCKBFLIEJIW-XDNSSPFJSA-N 1 3 356.558 2.933 20 0 FFADHO C[NH+](C)CCN1CCC2(CC1)CN(Cc1cnoc1)Cc1ccccc12 ZINC001279380551 1043040347 /nfs/dbraw/zinc/04/03/47/1043040347.db2.gz WDQYSPRXWGUTQP-UHFFFAOYSA-N 1 3 354.498 2.586 20 0 FFADHO COc1ncc(CN2CCC3(CC[N@H+](Cc4scnc4C)C3)CC2)cn1 ZINC001279389744 1043046021 /nfs/dbraw/zinc/04/60/21/1043046021.db2.gz GFJDAIWPTFBSJC-UHFFFAOYSA-N 1 3 373.526 2.738 20 0 FFADHO COc1ncc(CN2CCC3(CC[N@@H+](Cc4scnc4C)C3)CC2)cn1 ZINC001279389744 1043046028 /nfs/dbraw/zinc/04/60/28/1043046028.db2.gz GFJDAIWPTFBSJC-UHFFFAOYSA-N 1 3 373.526 2.738 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2cnc(C)s2)CC3)n(C)n1 ZINC001279418586 1043088171 /nfs/dbraw/zinc/08/81/71/1043088171.db2.gz DZRLLYQSHLSDRB-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cnc(C)cn3)C[C@H]2CC1 ZINC001279424214 1043097951 /nfs/dbraw/zinc/09/79/51/1043097951.db2.gz ZIIKMHIZEIHWIU-CALCHBBNSA-N 1 3 357.527 2.894 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cnc(C)cn3)C[C@H]2CC1 ZINC001279424214 1043097961 /nfs/dbraw/zinc/09/79/61/1043097961.db2.gz ZIIKMHIZEIHWIU-CALCHBBNSA-N 1 3 357.527 2.894 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cc(C)c(Cl)c(C)c2)CCC12C[NH2+]C2 ZINC001237428607 1043155395 /nfs/dbraw/zinc/15/53/95/1043155395.db2.gz BHJANSUVNBFOKM-MRXNPFEDSA-N 1 3 350.890 2.931 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cccc(-c3cccs3)n2)CCC12C[NH2+]C2 ZINC001237430941 1043156539 /nfs/dbraw/zinc/15/65/39/1043156539.db2.gz MLQDPDRPGBVKSP-INIZCTEOSA-N 1 3 371.506 2.785 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCCC2(CN(C(=O)Nc3cccnc3)C2)C1 ZINC001279591788 1043307035 /nfs/dbraw/zinc/30/70/35/1043307035.db2.gz QUIQOUGCHAYXBV-UHFFFAOYSA-N 1 3 359.518 2.599 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCCC2(CN(C(=O)Nc3cccnc3)C2)C1 ZINC001279591788 1043307038 /nfs/dbraw/zinc/30/70/38/1043307038.db2.gz QUIQOUGCHAYXBV-UHFFFAOYSA-N 1 3 359.518 2.599 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001279598983 1043317482 /nfs/dbraw/zinc/31/74/82/1043317482.db2.gz CQQLQYWCNDGIHK-OAQYLSRUSA-N 1 3 361.578 2.947 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001279598983 1043317486 /nfs/dbraw/zinc/31/74/86/1043317486.db2.gz CQQLQYWCNDGIHK-OAQYLSRUSA-N 1 3 361.578 2.947 20 0 FFADHO CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc4c(c3)C(C(C)C)=NCC4)C[C@@H]2C1 ZINC001237879598 1043413237 /nfs/dbraw/zinc/41/32/37/1043413237.db2.gz WPGLSXAWXSJLKY-PZJWPPBQSA-N 1 3 355.526 2.840 20 0 FFADHO CC[N@H+]1CCO[C@@H]2CN(Cc3ccc4c(c3)C(C(C)C)=NCC4)C[C@@H]2C1 ZINC001237879598 1043413239 /nfs/dbraw/zinc/41/32/39/1043413239.db2.gz WPGLSXAWXSJLKY-PZJWPPBQSA-N 1 3 355.526 2.840 20 0 FFADHO Cc1cc(CN2CC[C@H]3[C@@H]2CCN3c2ccccc2C[NH+](C)C)n(C)n1 ZINC001279762033 1043603438 /nfs/dbraw/zinc/60/34/38/1043603438.db2.gz JVKUPRPFNFOSJM-SFTDATJTSA-N 1 3 353.514 2.643 20 0 FFADHO Cc1cc(CN2CCC(=O)N(CC[NH+](C)C)CC2)cc(C)c1OC(C)C ZINC001238750511 1043868248 /nfs/dbraw/zinc/86/82/48/1043868248.db2.gz AXWTUDBJZKMTPE-UHFFFAOYSA-N 1 3 361.530 2.687 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC001312146982 1044055072 /nfs/dbraw/zinc/05/50/72/1044055072.db2.gz IFISZYORPFMNJJ-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC001312146982 1044055082 /nfs/dbraw/zinc/05/50/82/1044055082.db2.gz IFISZYORPFMNJJ-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@H]3C[C@]32C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC001279994690 1044059060 /nfs/dbraw/zinc/05/90/60/1044059060.db2.gz MPYZLDINYJRFSA-SIKLNZKXSA-N 1 3 355.526 2.820 20 0 FFADHO Cc1cc(C)c(CN2CC[C@@H]3C[C@@]32C(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC001279994657 1044059209 /nfs/dbraw/zinc/05/92/09/1044059209.db2.gz WZGZSAAAMUPXRE-GCJKJVERSA-N 1 3 355.526 2.787 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)CN1Cc1ccccc1 ZINC001312252850 1044079313 /nfs/dbraw/zinc/07/93/13/1044079313.db2.gz ITKMZZYKIGFQDF-IEBWSBKVSA-N 1 3 360.546 2.879 20 0 FFADHO FC(F)(F)CCC[NH2+][C@@]12CC[C@@](NC[C@H]3COCCO3)(C1)CCC2 ZINC001280029289 1044106191 /nfs/dbraw/zinc/10/61/91/1044106191.db2.gz XBCMBMBOTZKGPX-HRCADAONSA-N 1 3 350.425 2.769 20 0 FFADHO CCC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccc(NC(C)=O)cc3)CC[C@@H]2C1 ZINC001280145796 1044296415 /nfs/dbraw/zinc/29/64/15/1044296415.db2.gz HQYRVSCINSJMHN-KDURUIRLSA-N 1 3 357.498 2.768 20 0 FFADHO CCC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccc(NC(C)=O)cc3)CC[C@@H]2C1 ZINC001280145796 1044296427 /nfs/dbraw/zinc/29/64/27/1044296427.db2.gz HQYRVSCINSJMHN-KDURUIRLSA-N 1 3 357.498 2.768 20 0 FFADHO c1ccc(CN2CCC=C(c3cnc(O[C@@H]4CCC[NH2+]C4)nc3)C2)cc1 ZINC001240388211 1044325450 /nfs/dbraw/zinc/32/54/50/1044325450.db2.gz DFMPWOYYPFMTGJ-HXUWFJFHSA-N 1 3 350.466 2.897 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313858644 1044431187 /nfs/dbraw/zinc/43/11/87/1044431187.db2.gz BPEPGANLXODNNV-KURKYZTESA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CCC[N@@H+]2CC)C[C@@H]1C ZINC001313870231 1044435352 /nfs/dbraw/zinc/43/53/52/1044435352.db2.gz ZDWAQZIJKQJLRF-JENIJYKNSA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CCC[N@H+]2CC)C[C@@H]1C ZINC001313870231 1044435357 /nfs/dbraw/zinc/43/53/57/1044435357.db2.gz ZDWAQZIJKQJLRF-JENIJYKNSA-N 1 3 374.577 2.949 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CCSC12CN(CC(C)(C)C)C2 ZINC001280243187 1044457999 /nfs/dbraw/zinc/45/79/99/1044457999.db2.gz HGHRJRUPQMGKDQ-MRXNPFEDSA-N 1 3 355.592 2.640 20 0 FFADHO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(CCCN3CCN(C)CC3)[C@@H]2C1 ZINC001280245446 1044460479 /nfs/dbraw/zinc/46/04/79/1044460479.db2.gz FZTNBSORRLOSCT-BHIFYINESA-N 1 3 364.622 2.846 20 0 FFADHO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(CCCN3CCN(C)CC3)[C@@H]2C1 ZINC001280245446 1044460486 /nfs/dbraw/zinc/46/04/86/1044460486.db2.gz FZTNBSORRLOSCT-BHIFYINESA-N 1 3 364.622 2.846 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1cc(F)cc(F)c1 ZINC001318527179 1044729812 /nfs/dbraw/zinc/72/98/12/1044729812.db2.gz MRMABTLYDJQLJF-FGTMMUONSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1cc(F)cc(F)c1 ZINC001318527179 1044729830 /nfs/dbraw/zinc/72/98/30/1044729830.db2.gz MRMABTLYDJQLJF-FGTMMUONSA-N 1 3 353.457 2.680 20 0 FFADHO CN1C[C@H](C[NH2+]C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1=O ZINC000639321993 1044811651 /nfs/dbraw/zinc/81/16/51/1044811651.db2.gz QTAJQQUQVVTVMY-SIKLNZKXSA-N 1 3 357.542 2.993 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC001319949101 1045311711 /nfs/dbraw/zinc/31/17/11/1045311711.db2.gz WLRHQVLZRWSANR-RLAPIPATSA-N 1 3 357.542 2.811 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC001319949101 1045311720 /nfs/dbraw/zinc/31/17/20/1045311720.db2.gz WLRHQVLZRWSANR-RLAPIPATSA-N 1 3 357.542 2.811 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001321742757 1045782302 /nfs/dbraw/zinc/78/23/02/1045782302.db2.gz GYOCDRXZRPMQIY-RBUKOAKNSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001288635659 1047489896 /nfs/dbraw/zinc/48/98/96/1047489896.db2.gz BFYCYNVURAKMRX-INIZCTEOSA-N 1 3 374.577 2.949 20 0 FFADHO C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001288635659 1047489900 /nfs/dbraw/zinc/48/99/00/1047489900.db2.gz BFYCYNVURAKMRX-INIZCTEOSA-N 1 3 374.577 2.949 20 0 FFADHO CN(C(=O)CN1CCCC2(CC[NH2+]CC2)C1)[C@@H]1CCCc2ccccc21 ZINC001328492260 1048325229 /nfs/dbraw/zinc/32/52/29/1048325229.db2.gz MQPCHOGMOMADCK-HXUWFJFHSA-N 1 3 355.526 2.988 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCCN3CCc4ccccc4C3)C[N@@H+]2C1 ZINC001540850813 1071020410 /nfs/dbraw/zinc/02/04/10/1071020410.db2.gz MUYIWVMVEARILC-JRGCBEDISA-N 1 3 355.526 2.671 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCCN3CCc4ccccc4C3)C[N@H+]2C1 ZINC001540850813 1071020428 /nfs/dbraw/zinc/02/04/28/1071020428.db2.gz MUYIWVMVEARILC-JRGCBEDISA-N 1 3 355.526 2.671 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001291638704 1048775366 /nfs/dbraw/zinc/77/53/66/1048775366.db2.gz JUZFRSZYDCJCHX-QGZVFWFLSA-N 1 3 374.577 2.808 20 0 FFADHO CC[NH+](CC)C1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC001333515513 1048952440 /nfs/dbraw/zinc/95/24/40/1048952440.db2.gz IJGXJAGGZYMFCX-LJQANCHMSA-N 1 3 360.502 2.686 20 0 FFADHO CCc1nnc(N2CCN(CC3CC3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293130090 1049490416 /nfs/dbraw/zinc/49/04/16/1049490416.db2.gz IONPUJSLVFVQIF-UHFFFAOYSA-N 1 3 374.577 2.637 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001316656346 1049773076 /nfs/dbraw/zinc/77/30/76/1049773076.db2.gz BOPLKTYLCZREBK-DLBZAZTESA-N 1 3 362.518 2.540 20 0 FFADHO C[NH+](C)CCOc1ccc(CCC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC001341777843 1050392067 /nfs/dbraw/zinc/39/20/67/1050392067.db2.gz MQOHJQWVLZACBV-UHFFFAOYSA-N 1 3 353.466 2.802 20 0 FFADHO CCN(CC)[C@H](CNC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2)c1ccsc1 ZINC001340170352 1050574759 /nfs/dbraw/zinc/57/47/59/1050574759.db2.gz YAJJOEMNLBLYND-VZDIDWBNSA-N 1 3 365.543 2.534 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001340173681 1050579728 /nfs/dbraw/zinc/57/97/28/1050579728.db2.gz VHLPNIDENPFQKO-QMMLZNLJSA-N 1 3 371.525 2.893 20 0 FFADHO O=C(CCCCC1CC[NH2+]CC1)NCC1CCN(Cc2ccncc2)CC1 ZINC001342113103 1050708284 /nfs/dbraw/zinc/70/82/84/1050708284.db2.gz NVABDQYRFFDIMA-UHFFFAOYSA-N 1 3 372.557 2.970 20 0 FFADHO C[C@@](N)(C(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1)c1ccccc1 ZINC001340999996 1051335451 /nfs/dbraw/zinc/33/54/51/1051335451.db2.gz NBGXVADMGYXSCB-NRFANRHFSA-N 1 3 363.465 2.843 20 0 FFADHO CN(CC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)CC(C)(C)C ZINC001542621263 1071266840 /nfs/dbraw/zinc/26/68/40/1071266840.db2.gz KOCKQOBQHBBGHJ-UHFFFAOYSA-N 1 3 355.473 2.833 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306339460 1052100037 /nfs/dbraw/zinc/10/00/37/1052100037.db2.gz NVLMUKPSBIXUGH-PMACEKPBSA-N 1 3 364.493 2.689 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001308554356 1052468958 /nfs/dbraw/zinc/46/89/58/1052468958.db2.gz OSIBFEMLAMWFHB-VNQPRFMTSA-N 1 3 358.438 2.658 20 0 FFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc2ccc(F)c(F)c2n1 ZINC001308802931 1052501329 /nfs/dbraw/zinc/50/13/29/1052501329.db2.gz PXHMQKLTHIZMEM-UHFFFAOYSA-N 1 3 350.457 2.828 20 0 FFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc2ccc(F)c(F)c2n1 ZINC001308802931 1052501333 /nfs/dbraw/zinc/50/13/33/1052501333.db2.gz PXHMQKLTHIZMEM-UHFFFAOYSA-N 1 3 350.457 2.828 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC001308804029 1052502435 /nfs/dbraw/zinc/50/24/35/1052502435.db2.gz YQFRHNYAUQUDAT-UHFFFAOYSA-N 1 3 358.530 2.805 20 0 FFADHO CN(Cc1ccccc1)C[C@H](OC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001344792828 1052929881 /nfs/dbraw/zinc/92/98/81/1052929881.db2.gz YMNNPGDBEACYKO-FQEVSTJZSA-N 1 3 360.498 2.551 20 0 FFADHO CN(C)c1cccc(Cl)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001335379799 1053326656 /nfs/dbraw/zinc/32/66/56/1053326656.db2.gz CCPIRJAROJYZBR-MRXNPFEDSA-N 1 3 351.922 2.997 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC2CC3(CC([NH3+])C3)C2)N(C)C)cc1 ZINC001335666011 1053495648 /nfs/dbraw/zinc/49/56/48/1053495648.db2.gz NIGITBVWUFTQDD-JDKNDNFBSA-N 1 3 374.529 2.646 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC001336739736 1054183098 /nfs/dbraw/zinc/18/30/98/1054183098.db2.gz QORUGCZZFNDEHD-HBUWYVDXSA-N 1 3 358.885 2.992 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001336802100 1054239350 /nfs/dbraw/zinc/23/93/50/1054239350.db2.gz AWWTXMOQMHVKMI-GOSISDBHSA-N 1 3 372.431 2.972 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=CC34CCCCC4)CC2)CC1 ZINC001348506147 1054749233 /nfs/dbraw/zinc/74/92/33/1054749233.db2.gz FXSBRARPJDQNBQ-UHFFFAOYSA-N 1 3 360.546 2.829 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cc(C)on3)CC2)CC1 ZINC000847321546 1055490900 /nfs/dbraw/zinc/49/09/00/1055490900.db2.gz XCHYDNDITFNZRN-HXUWFJFHSA-N 1 3 374.529 2.843 20 0 FFADHO CC(C)C[C@H](CCO)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849096592 1055639266 /nfs/dbraw/zinc/63/92/66/1055639266.db2.gz XLYBYLKCLXWJQW-IBGZPJMESA-N 1 3 360.546 2.810 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC001357261327 1055848056 /nfs/dbraw/zinc/84/80/56/1055848056.db2.gz IUZXXHIDCDDUBA-PLMTUMEDSA-N 1 3 371.529 2.520 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001338884510 1055902558 /nfs/dbraw/zinc/90/25/58/1055902558.db2.gz CFEJKVOURVZIQM-HSALFYBXSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001338922406 1055935776 /nfs/dbraw/zinc/93/57/76/1055935776.db2.gz LINOQNPCMKFQEE-UXHICEINSA-N 1 3 360.546 2.675 20 0 FFADHO O=C(CC[NH2+][C@H]1C[C@@H](N2CCCC2)C1)Nc1cccc(Br)c1 ZINC001353368719 1056337251 /nfs/dbraw/zinc/33/72/51/1056337251.db2.gz ZZKJEIURNNKBLY-IYBDPMFKSA-N 1 3 366.303 2.994 20 0 FFADHO Cc1ccc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)nc1 ZINC000849115744 1056769221 /nfs/dbraw/zinc/76/92/21/1056769221.db2.gz BWJMKHPZRKLVOB-UHFFFAOYSA-N 1 3 351.498 2.711 20 0 FFADHO Cc1cccnc1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849115328 1056770217 /nfs/dbraw/zinc/77/02/17/1056770217.db2.gz PDMMOFVZQZBGSW-UHFFFAOYSA-N 1 3 351.498 2.711 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2sccc2Cl)C2CC2)CC[N@@H+]1C ZINC001498761919 1058172696 /nfs/dbraw/zinc/17/26/96/1058172696.db2.gz XKFZYDPLHIHOMB-UXIGCNINSA-N 1 3 355.935 2.726 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2sccc2Cl)C2CC2)CC[N@H+]1C ZINC001498761919 1058172708 /nfs/dbraw/zinc/17/27/08/1058172708.db2.gz XKFZYDPLHIHOMB-UXIGCNINSA-N 1 3 355.935 2.726 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001513138159 1058207574 /nfs/dbraw/zinc/20/75/74/1058207574.db2.gz FATATARYPCFDFN-QGZVFWFLSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001513138159 1058207587 /nfs/dbraw/zinc/20/75/87/1058207587.db2.gz FATATARYPCFDFN-QGZVFWFLSA-N 1 3 362.566 2.664 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=S)NCCN1CCCCC1 ZINC001200445824 1058211100 /nfs/dbraw/zinc/21/11/00/1058211100.db2.gz ZVBGIIZLLPFEHP-UYAOXDASSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=S)NCCN1CCCCC1 ZINC001200445824 1058211118 /nfs/dbraw/zinc/21/11/18/1058211118.db2.gz ZVBGIIZLLPFEHP-UYAOXDASSA-N 1 3 374.598 2.847 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cncs2)C2CCCC2)CC[N@@H+]1C ZINC001500088066 1058435168 /nfs/dbraw/zinc/43/51/68/1058435168.db2.gz ISDLRYMPEWTCDZ-RCCFBDPRSA-N 1 3 364.559 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cncs2)C2CCCC2)CC[N@H+]1C ZINC001500088066 1058435173 /nfs/dbraw/zinc/43/51/73/1058435173.db2.gz ISDLRYMPEWTCDZ-RCCFBDPRSA-N 1 3 364.559 2.638 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001354246173 1058764578 /nfs/dbraw/zinc/76/45/78/1058764578.db2.gz HPZAHMOYPSMRBI-HKBOAZHASA-N 1 3 370.541 2.721 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001502250330 1058788894 /nfs/dbraw/zinc/78/88/94/1058788894.db2.gz WPMIGGPYKPZDKG-XHSDSOJGSA-N 1 3 374.533 2.716 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CCC2CC[NH+](CC)CC2)C[C@@H]1C ZINC001502266487 1058798980 /nfs/dbraw/zinc/79/89/80/1058798980.db2.gz RYGUTIXQHDMBKI-DLBZAZTESA-N 1 3 362.566 2.627 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3ccccc3n(C)c2=O)C[C@H](C)O1 ZINC001200672164 1059033391 /nfs/dbraw/zinc/03/33/91/1059033391.db2.gz MRGPADROZBWOOX-CALCHBBNSA-N 1 3 357.498 2.518 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC001454408804 1059529248 /nfs/dbraw/zinc/52/92/48/1059529248.db2.gz WSZQOHZACVINRV-ILWGZMRPSA-N 1 3 357.542 2.943 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC001454408804 1059529268 /nfs/dbraw/zinc/52/92/68/1059529268.db2.gz WSZQOHZACVINRV-ILWGZMRPSA-N 1 3 357.542 2.943 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2ccc(Cl)nc2)C(C)(C)C)CC[N@@H+]1C ZINC001507948017 1059763954 /nfs/dbraw/zinc/76/39/54/1059763954.db2.gz FHGGCQDAUJVLOQ-BMFZPTHFSA-N 1 3 366.937 2.696 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2ccc(Cl)nc2)C(C)(C)C)CC[N@H+]1C ZINC001507948017 1059763968 /nfs/dbraw/zinc/76/39/68/1059763968.db2.gz FHGGCQDAUJVLOQ-BMFZPTHFSA-N 1 3 366.937 2.696 20 0 FFADHO [NH3+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC001355352126 1060158918 /nfs/dbraw/zinc/15/89/18/1060158918.db2.gz UAWXJJKLHLBAQR-WOJBJXKFSA-N 1 3 370.541 2.804 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001456796769 1060200035 /nfs/dbraw/zinc/20/00/35/1060200035.db2.gz KFILEJAATXUFQB-PMACEKPBSA-N 1 3 355.526 2.889 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001456796769 1060200052 /nfs/dbraw/zinc/20/00/52/1060200052.db2.gz KFILEJAATXUFQB-PMACEKPBSA-N 1 3 355.526 2.889 20 0 FFADHO Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001511900493 1060464966 /nfs/dbraw/zinc/46/49/66/1060464966.db2.gz OBYJGLUAHRNGRO-MRXNPFEDSA-N 1 3 362.566 2.627 20 0 FFADHO Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001511900493 1060464974 /nfs/dbraw/zinc/46/49/74/1060464974.db2.gz OBYJGLUAHRNGRO-MRXNPFEDSA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001547635136 1071979617 /nfs/dbraw/zinc/97/96/17/1071979617.db2.gz CJBYOESKNXUOAQ-KURKYZTESA-N 1 3 362.566 2.770 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001547635136 1071979620 /nfs/dbraw/zinc/97/96/20/1071979620.db2.gz CJBYOESKNXUOAQ-KURKYZTESA-N 1 3 362.566 2.770 20 0 FFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCCc2cccnc2)CC1 ZINC001459713476 1060799497 /nfs/dbraw/zinc/79/94/97/1060799497.db2.gz BRQZVUYRDQJTFO-UHFFFAOYSA-N 1 3 368.525 2.777 20 0 FFADHO Cc1ccc2ncc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)n2c1 ZINC001461379854 1061304912 /nfs/dbraw/zinc/30/49/12/1061304912.db2.gz NQOOVPLHCQLWRN-HXUWFJFHSA-N 1 3 364.493 2.889 20 0 FFADHO Cc1ccc2ncc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)n2c1 ZINC001461379854 1061304922 /nfs/dbraw/zinc/30/49/22/1061304922.db2.gz NQOOVPLHCQLWRN-HXUWFJFHSA-N 1 3 364.493 2.889 20 0 FFADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)CC1 ZINC001527095615 1061389568 /nfs/dbraw/zinc/38/95/68/1061389568.db2.gz ZETWTANSPJBRKD-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001360024694 1061878471 /nfs/dbraw/zinc/87/84/71/1061878471.db2.gz BFONOUGYMMLFMN-KRWDZBQOSA-N 1 3 374.577 2.806 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001360024694 1061878485 /nfs/dbraw/zinc/87/84/85/1061878485.db2.gz BFONOUGYMMLFMN-KRWDZBQOSA-N 1 3 374.577 2.806 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001478395023 1062001859 /nfs/dbraw/zinc/00/18/59/1062001859.db2.gz UJLWXCJNPMUZIP-QWFCFKBJSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001478395023 1062001882 /nfs/dbraw/zinc/00/18/82/1062001882.db2.gz UJLWXCJNPMUZIP-QWFCFKBJSA-N 1 3 360.546 2.927 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnc(C)s1 ZINC001479579107 1062574507 /nfs/dbraw/zinc/57/45/07/1062574507.db2.gz SSYIQSJXHZDTNR-ZBFHGGJFSA-N 1 3 352.548 2.510 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001479674507 1062796191 /nfs/dbraw/zinc/79/61/91/1062796191.db2.gz GDBHVAKIUPPISS-CEXWTWQISA-N 1 3 353.526 2.781 20 0 FFADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001467668013 1063811972 /nfs/dbraw/zinc/81/19/72/1063811972.db2.gz NMUOMFBVKRBBRH-MSOLQXFVSA-N 1 3 352.567 2.915 20 0 FFADHO CCCN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC001469351270 1064134165 /nfs/dbraw/zinc/13/41/65/1064134165.db2.gz OSNCBWFXVOMXJF-RTWAWAEBSA-N 1 3 357.542 2.884 20 0 FFADHO CCCN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC001469351270 1064134170 /nfs/dbraw/zinc/13/41/70/1064134170.db2.gz OSNCBWFXVOMXJF-RTWAWAEBSA-N 1 3 357.542 2.884 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC001471143488 1064577335 /nfs/dbraw/zinc/57/73/35/1064577335.db2.gz UKHHLXSNBHXEPW-PMACEKPBSA-N 1 3 358.530 2.695 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC001471143488 1064577344 /nfs/dbraw/zinc/57/73/44/1064577344.db2.gz UKHHLXSNBHXEPW-PMACEKPBSA-N 1 3 358.530 2.695 20 0 FFADHO CC(C)[C@@H](Cn1c([C@@H]2CCCN2)nnc1N1CCC[C@H]1C)[NH+]1CCCC1 ZINC001575441689 1078140985 /nfs/dbraw/zinc/14/09/85/1078140985.db2.gz IGJFVEZMENAZNO-FGTMMUONSA-N 1 3 360.550 2.812 20 0 FFADHO CC1(C)CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)[NH2+]C1 ZINC001576416710 1078226929 /nfs/dbraw/zinc/22/69/29/1078226929.db2.gz JDOYOMHNFCRURC-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CCCN(CCC)c1nnc(C2CC[NH2+]CC2)n1CCN1CC=CCC1 ZINC001577519782 1078373713 /nfs/dbraw/zinc/37/37/13/1078373713.db2.gz WAEJHZCNGLTCEW-UHFFFAOYSA-N 1 3 360.550 2.633 20 0 FFADHO CCN(CC)[C@H](Cn1c(C)nnc1N1CC[C@@H]([NH2+]C)C1)c1ccsc1 ZINC001577685139 1078387663 /nfs/dbraw/zinc/38/76/63/1078387663.db2.gz TZTXCZXDUCIPJI-IAGOWNOFSA-N 1 3 362.547 2.529 20 0 FFADHO CCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001577701500 1078389657 /nfs/dbraw/zinc/38/96/57/1078389657.db2.gz FKYWIMMNAHKXHI-ZWKOTPCHSA-N 1 3 374.508 2.991 20 0 FFADHO CC[NH2+]CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001577857958 1078408518 /nfs/dbraw/zinc/40/85/18/1078408518.db2.gz MXJKEQWYMLHUAC-JKSUJKDBSA-N 1 3 374.508 2.613 20 0 FFADHO COc1cc(CN(C)C)ccc1NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001579150967 1078576761 /nfs/dbraw/zinc/57/67/61/1078576761.db2.gz ZAIGLAUIMXESNV-OAQYLSRUSA-N 1 3 353.466 2.627 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001580199899 1078764186 /nfs/dbraw/zinc/76/41/86/1078764186.db2.gz MYBARVSXKHUXPJ-QCSYZSNVSA-N 1 3 356.869 2.873 20 0 FFADHO [NH3+][C@@H]1C[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)[C@H]2C[C@H]21 ZINC001580400301 1078797324 /nfs/dbraw/zinc/79/73/24/1078797324.db2.gz RYRDIOQWEAIEIE-ZSYWTGECSA-N 1 3 361.917 2.748 20 0 FFADHO CN1C[C@@H](c2ccccc2)[C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC001549173952 1073675374 /nfs/dbraw/zinc/67/53/74/1073675374.db2.gz RLXLHMVPFUEZKV-NNWRFLSQSA-N 1 3 357.542 2.565 20 0 FFADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(F)cc1C ZINC001550422222 1074259923 /nfs/dbraw/zinc/25/99/23/1074259923.db2.gz QAGPTUURVRZYKG-JYBIWHBTSA-N 1 3 350.478 2.712 20 0 FFADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c(F)cc1C ZINC001550422222 1074259926 /nfs/dbraw/zinc/25/99/26/1074259926.db2.gz QAGPTUURVRZYKG-JYBIWHBTSA-N 1 3 350.478 2.712 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnn(Cc3ccccc3)c1)[C@@H](O)C2 ZINC001550423827 1074262206 /nfs/dbraw/zinc/26/22/06/1074262206.db2.gz SFPNJJPZGBEXMG-MLNNCEHLSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnn(Cc3ccccc3)c1)[C@@H](O)C2 ZINC001550423827 1074262210 /nfs/dbraw/zinc/26/22/10/1074262210.db2.gz SFPNJJPZGBEXMG-MLNNCEHLSA-N 1 3 368.525 2.501 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@@H](n2cncn2)C1 ZINC001551398474 1074716156 /nfs/dbraw/zinc/71/61/56/1074716156.db2.gz FFZIMBYLVWQCNA-ZKSQSEBUSA-N 1 3 361.534 2.631 20 0 FFADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)CC2 ZINC001551577026 1074761193 /nfs/dbraw/zinc/76/11/93/1074761193.db2.gz RHHGYVNYAKJZIK-KYBDOYODSA-N 1 3 356.514 2.783 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)CC[C@@H]1c1ccc(F)cc1 ZINC001552429925 1075074414 /nfs/dbraw/zinc/07/44/14/1075074414.db2.gz GGFOPBNLOVRBAE-MISYRCLQSA-N 1 3 353.441 2.704 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCN1C ZINC001557533561 1075859455 /nfs/dbraw/zinc/85/94/55/1075859455.db2.gz ZBJLBNARMYQGKX-NJDAHSKKSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCN1C ZINC001557533561 1075859456 /nfs/dbraw/zinc/85/94/56/1075859456.db2.gz ZBJLBNARMYQGKX-NJDAHSKKSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559523688 1076169245 /nfs/dbraw/zinc/16/92/45/1076169245.db2.gz ASQZAWORQVOGBY-NQIIRXRSSA-N 1 3 357.542 2.917 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([N@H+](C)CC)C1)c1ccsc1 ZINC001563459322 1076555991 /nfs/dbraw/zinc/55/59/91/1076555991.db2.gz LJISNHGVTZFQCS-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)CC)C1)c1ccsc1 ZINC001563459322 1076555993 /nfs/dbraw/zinc/55/59/93/1076555993.db2.gz LJISNHGVTZFQCS-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CCN1Cc1ccccc1 ZINC001564881574 1076667274 /nfs/dbraw/zinc/66/72/74/1076667274.db2.gz XLTUPXLJFSHQHP-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CCN1Cc1ccccc1 ZINC001564881574 1076667278 /nfs/dbraw/zinc/66/72/78/1076667278.db2.gz XLTUPXLJFSHQHP-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C2)cc1 ZINC001565245568 1076703517 /nfs/dbraw/zinc/70/35/17/1076703517.db2.gz VJZOFEIQUSBPHZ-FQEVSTJZSA-N 1 3 360.546 2.799 20 0 FFADHO CCN(CCNCc1ccccc1OC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743549 1077108912 /nfs/dbraw/zinc/10/89/12/1077108912.db2.gz KXZZKTZDWCDFLO-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO CCN(CCNCc1ccccc1OC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568743549 1077108914 /nfs/dbraw/zinc/10/89/14/1077108914.db2.gz KXZZKTZDWCDFLO-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@H]1CN(Cc2ccc(-c3cnn(C)c3)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374996389 512111418 /nfs/dbraw/zinc/11/14/18/512111418.db2.gz PNXXSPPQBCKFNT-QFBILLFUSA-N 1 3 373.570 2.606 20 0 FFADHO Cc1cc2ncc([C@@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)c(C)n2n1 ZINC000093402766 250033239 /nfs/dbraw/zinc/03/32/39/250033239.db2.gz JZBQMKCMFRUMPE-BRWVUGGUSA-N 1 3 359.518 2.886 20 0 FFADHO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093813811 250047398 /nfs/dbraw/zinc/04/73/98/250047398.db2.gz NIIKTALLOWCTSK-NRFANRHFSA-N 1 3 359.514 2.602 20 0 FFADHO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093813811 250047403 /nfs/dbraw/zinc/04/74/03/250047403.db2.gz NIIKTALLOWCTSK-NRFANRHFSA-N 1 3 359.514 2.602 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000153519985 251148830 /nfs/dbraw/zinc/14/88/30/251148830.db2.gz AYPLIGSGTFKEOK-RTWAWAEBSA-N 1 3 373.541 2.829 20 0 FFADHO Cc1ccc(C[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000181188582 251256329 /nfs/dbraw/zinc/25/63/29/251256329.db2.gz OZALWKVNWIIXTN-SFHVURJKSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000267397924 251345043 /nfs/dbraw/zinc/34/50/43/251345043.db2.gz YBUBTKBJUMYFBI-UWJYYQICSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000267397924 251345046 /nfs/dbraw/zinc/34/50/46/251345046.db2.gz YBUBTKBJUMYFBI-UWJYYQICSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCN(C)CC1 ZINC000268789889 251386692 /nfs/dbraw/zinc/38/66/92/251386692.db2.gz XJTZPYWPCDBLBO-MZYLBHOOSA-N 1 3 372.601 2.759 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272412335 252031627 /nfs/dbraw/zinc/03/16/27/252031627.db2.gz FRJDKXKQFQHDRM-WOJBJXKFSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272421450 252034496 /nfs/dbraw/zinc/03/44/96/252034496.db2.gz BHNBJDBTBGQPGE-PBASOCQRSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272421450 252034498 /nfs/dbraw/zinc/03/44/98/252034498.db2.gz BHNBJDBTBGQPGE-PBASOCQRSA-N 1 3 370.541 2.633 20 0 FFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000272499214 252052691 /nfs/dbraw/zinc/05/26/91/252052691.db2.gz LFJOXHYENKLVTP-FQEVSTJZSA-N 1 3 374.525 2.855 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272649674 252091467 /nfs/dbraw/zinc/09/14/67/252091467.db2.gz JXQNHXKLXRYNEC-TZIWHRDSSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000272720710 252112429 /nfs/dbraw/zinc/11/24/29/252112429.db2.gz JAAREEKNYMQQRK-DLBZAZTESA-N 1 3 371.529 2.557 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000272720710 252112433 /nfs/dbraw/zinc/11/24/33/252112433.db2.gz JAAREEKNYMQQRK-DLBZAZTESA-N 1 3 371.529 2.557 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000273484860 252315430 /nfs/dbraw/zinc/31/54/30/252315430.db2.gz ULNKWDNJJIZIIY-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO COCc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1OC ZINC000278456274 256315188 /nfs/dbraw/zinc/31/51/88/256315188.db2.gz ITDHOCKHXAECOG-SJORKVTESA-N 1 3 350.503 2.993 20 0 FFADHO COCc1cc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)ccc1OC ZINC000278456274 256315190 /nfs/dbraw/zinc/31/51/90/256315190.db2.gz ITDHOCKHXAECOG-SJORKVTESA-N 1 3 350.503 2.993 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000278506326 256319689 /nfs/dbraw/zinc/31/96/89/256319689.db2.gz RBTQDBWIKLYRJT-IEBWSBKVSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000287855005 257121188 /nfs/dbraw/zinc/12/11/88/257121188.db2.gz DYWXQCAWMGPCKE-NSHGMRRFSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000287933055 257130945 /nfs/dbraw/zinc/13/09/45/257130945.db2.gz GQEOSFGOLCFUIR-QRTFOUQQSA-N 1 3 358.530 2.944 20 0 FFADHO C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000287933055 257130946 /nfs/dbraw/zinc/13/09/46/257130946.db2.gz GQEOSFGOLCFUIR-QRTFOUQQSA-N 1 3 358.530 2.944 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000289650748 257292118 /nfs/dbraw/zinc/29/21/18/257292118.db2.gz CHYMKNJFHBUGEX-MOPGFXCFSA-N 1 3 367.497 2.577 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)nc1 ZINC000290747820 257355702 /nfs/dbraw/zinc/35/57/02/257355702.db2.gz QNWIIZCFTMOERS-APHBMKBZSA-N 1 3 368.319 2.873 20 0 FFADHO CN(C)CCN1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293465119 257547717 /nfs/dbraw/zinc/54/77/17/257547717.db2.gz QIHORLFWPMYXIU-LAUBAEHRSA-N 1 3 363.521 2.909 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(c3ccncc3)CC1)CO2 ZINC000297063871 257784248 /nfs/dbraw/zinc/78/42/48/257784248.db2.gz WCSRZANLYQRKCI-GOSISDBHSA-N 1 3 353.466 2.900 20 0 FFADHO C[NH+]1CCC(CNc2ccc(C(F)(F)F)nn2)(N2CCCCC2)CC1 ZINC000301990281 258081172 /nfs/dbraw/zinc/08/11/72/258081172.db2.gz MFVPXFXKGAIFIA-UHFFFAOYSA-N 1 3 357.424 2.858 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000333249540 258258362 /nfs/dbraw/zinc/25/83/62/258258362.db2.gz CEPBPNXBSWCXSN-DNVCBOLYSA-N 1 3 370.497 2.649 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000333249540 258258363 /nfs/dbraw/zinc/25/83/63/258258363.db2.gz CEPBPNXBSWCXSN-DNVCBOLYSA-N 1 3 370.497 2.649 20 0 FFADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000375328170 512270519 /nfs/dbraw/zinc/27/05/19/512270519.db2.gz SSUONAYGRSNJKH-FGZHOGPDSA-N 1 3 357.542 2.838 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000066179025 506440446 /nfs/dbraw/zinc/44/04/46/506440446.db2.gz SPXRURFWAGUYPG-QRVBRYPASA-N 1 3 350.551 2.624 20 0 FFADHO CCN(CC)[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000067483140 506896892 /nfs/dbraw/zinc/89/68/92/506896892.db2.gz LMPBVJSENMRZDH-OAQYLSRUSA-N 1 3 374.573 2.554 20 0 FFADHO CCN(CC)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000067483140 506896895 /nfs/dbraw/zinc/89/68/95/506896895.db2.gz LMPBVJSENMRZDH-OAQYLSRUSA-N 1 3 374.573 2.554 20 0 FFADHO CCN(CC)[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000067483140 506896898 /nfs/dbraw/zinc/89/68/98/506896898.db2.gz LMPBVJSENMRZDH-OAQYLSRUSA-N 1 3 374.573 2.554 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000067529455 506911878 /nfs/dbraw/zinc/91/18/78/506911878.db2.gz WNQVRJDLETYACW-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000067529455 506911888 /nfs/dbraw/zinc/91/18/88/506911888.db2.gz WNQVRJDLETYACW-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000067704866 506981562 /nfs/dbraw/zinc/98/15/62/506981562.db2.gz UYGPAQHJULYTOB-WOJBJXKFSA-N 1 3 358.530 2.868 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)C1 ZINC000047885500 507407427 /nfs/dbraw/zinc/40/74/27/507407427.db2.gz JNJIVCXEJJZNJD-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)C1 ZINC000047885500 507407436 /nfs/dbraw/zinc/40/74/36/507407436.db2.gz JNJIVCXEJJZNJD-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO CC[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000047884608 507408267 /nfs/dbraw/zinc/40/82/67/507408267.db2.gz HTEITUBUZXYEOQ-NRFANRHFSA-N 1 3 372.557 2.995 20 0 FFADHO CCOc1ccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970567 507425227 /nfs/dbraw/zinc/42/52/27/507425227.db2.gz HICWZBWPJWDMDH-IBGZPJMESA-N 1 3 362.514 2.633 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000069710846 507540409 /nfs/dbraw/zinc/54/04/09/507540409.db2.gz CDUYHPPUDVNWBG-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000050799734 507713054 /nfs/dbraw/zinc/71/30/54/507713054.db2.gz DNAAWSOFDVPBEN-UHFFFAOYSA-N 1 3 369.431 2.994 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](F)CC3CCCCC3)CC2)CC1 ZINC000373491063 512357880 /nfs/dbraw/zinc/35/78/80/512357880.db2.gz SWXFGWCGUNIJDT-LJQANCHMSA-N 1 3 353.526 2.970 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000063771285 507769760 /nfs/dbraw/zinc/76/97/60/507769760.db2.gz QFSMVWROAVSSBC-UHFFFAOYSA-N 1 3 361.530 2.964 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000063771285 507769764 /nfs/dbraw/zinc/76/97/64/507769764.db2.gz QFSMVWROAVSSBC-UHFFFAOYSA-N 1 3 361.530 2.964 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000051759099 507783761 /nfs/dbraw/zinc/78/37/61/507783761.db2.gz SWBKLFQEZWNLOH-HXUWFJFHSA-N 1 3 356.514 2.532 20 0 FFADHO CN1CCC(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000064237964 507787069 /nfs/dbraw/zinc/78/70/69/507787069.db2.gz OQWBTJXYBKDAJG-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)N(C)C)cc1 ZINC000108541373 507902585 /nfs/dbraw/zinc/90/25/85/507902585.db2.gz WCSHYUKCYYILQU-UXHICEINSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)N(C)C)cc1 ZINC000108541373 507902588 /nfs/dbraw/zinc/90/25/88/507902588.db2.gz WCSHYUKCYYILQU-UXHICEINSA-N 1 3 358.530 2.635 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000108552085 507903168 /nfs/dbraw/zinc/90/31/68/507903168.db2.gz OTTVDWCYXMSOSR-NVXWUHKLSA-N 1 3 352.548 2.772 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000108552085 507903171 /nfs/dbraw/zinc/90/31/71/507903171.db2.gz OTTVDWCYXMSOSR-NVXWUHKLSA-N 1 3 352.548 2.772 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(CCc2ccccc2)CC1 ZINC000079167179 507939496 /nfs/dbraw/zinc/93/94/96/507939496.db2.gz BFTGOYAKNMBEGO-NHCUHLMSSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)NC1CCN(CCc2ccccc2)CC1 ZINC000079167179 507939499 /nfs/dbraw/zinc/93/94/99/507939499.db2.gz BFTGOYAKNMBEGO-NHCUHLMSSA-N 1 3 370.541 2.620 20 0 FFADHO CN1[C@@H]2CC[C@H]1CCN(C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000073628270 507940309 /nfs/dbraw/zinc/94/03/09/507940309.db2.gz FVLARDSVUDGBBZ-VQTJNVASSA-N 1 3 356.514 2.661 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079224166 507946344 /nfs/dbraw/zinc/94/63/44/507946344.db2.gz VORNYJIYOPWQOE-WBVHZDCISA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079224166 507946346 /nfs/dbraw/zinc/94/63/46/507946346.db2.gz VORNYJIYOPWQOE-WBVHZDCISA-N 1 3 362.543 2.669 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079256860 507948437 /nfs/dbraw/zinc/94/84/37/507948437.db2.gz UCHQSFDLKJNNLF-XLIONFOSSA-N 1 3 370.541 2.607 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079256860 507948439 /nfs/dbraw/zinc/94/84/39/507948439.db2.gz UCHQSFDLKJNNLF-XLIONFOSSA-N 1 3 370.541 2.607 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000079393770 507957339 /nfs/dbraw/zinc/95/73/39/507957339.db2.gz RJVHNSRETIWRCD-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000079393770 507957342 /nfs/dbraw/zinc/95/73/42/507957342.db2.gz RJVHNSRETIWRCD-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO CC(=O)Nc1ccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587234 508084621 /nfs/dbraw/zinc/08/46/21/508084621.db2.gz MVDRCBHHIKVNAO-IRXDYDNUSA-N 1 3 359.514 2.966 20 0 FFADHO C[C@H](O)C1CCN(Cc2ccc(C[NH+]3CCC([C@H](C)O)CC3)cc2)CC1 ZINC000111285467 508086480 /nfs/dbraw/zinc/08/64/80/508086480.db2.gz CSBMGMCLGRSSBB-ROUUACIJSA-N 1 3 360.542 2.872 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000080670889 508093463 /nfs/dbraw/zinc/09/34/63/508093463.db2.gz SBYGCVHXEFOFGQ-FPOVZHCZSA-N 1 3 372.557 2.971 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000080670889 508093466 /nfs/dbraw/zinc/09/34/66/508093466.db2.gz SBYGCVHXEFOFGQ-FPOVZHCZSA-N 1 3 372.557 2.971 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N(C)Cc1ccccc1 ZINC000080692079 508095103 /nfs/dbraw/zinc/09/51/03/508095103.db2.gz RSDJBDASHDCFOO-RXVVDRJESA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N(C)Cc1ccccc1 ZINC000080692079 508095107 /nfs/dbraw/zinc/09/51/07/508095107.db2.gz RSDJBDASHDCFOO-RXVVDRJESA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000093125069 508122242 /nfs/dbraw/zinc/12/22/42/508122242.db2.gz DNZSVPFPQVMNIY-ROUUACIJSA-N 1 3 373.545 2.718 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000093125069 508122246 /nfs/dbraw/zinc/12/22/46/508122246.db2.gz DNZSVPFPQVMNIY-ROUUACIJSA-N 1 3 373.545 2.718 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000371404129 512379627 /nfs/dbraw/zinc/37/96/27/512379627.db2.gz HSJVMWBPZQBOCL-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000371404129 512379630 /nfs/dbraw/zinc/37/96/30/512379630.db2.gz HSJVMWBPZQBOCL-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000111818468 508125843 /nfs/dbraw/zinc/12/58/43/508125843.db2.gz BNOZHHXLIMVRCN-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111874978 508132836 /nfs/dbraw/zinc/13/28/36/508132836.db2.gz PKBYTDBUJRWRFA-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)N1CCc2sccc2C1 ZINC000075835950 508136898 /nfs/dbraw/zinc/13/68/98/508136898.db2.gz OORMJBHZHAKRBD-KRWDZBQOSA-N 1 3 361.555 2.831 20 0 FFADHO O=C(CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)N1CCc2sccc2C1 ZINC000075835950 508136900 /nfs/dbraw/zinc/13/69/00/508136900.db2.gz OORMJBHZHAKRBD-KRWDZBQOSA-N 1 3 361.555 2.831 20 0 FFADHO CN(CCN1CCCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000112741370 508218589 /nfs/dbraw/zinc/21/85/89/508218589.db2.gz KBXJNLWKKYQFRN-UHFFFAOYSA-N 1 3 358.530 2.910 20 0 FFADHO CCOc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000076893805 508260203 /nfs/dbraw/zinc/26/02/03/508260203.db2.gz QTXDOLIOMNWSMW-UHFFFAOYSA-N 1 3 355.482 2.667 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000113398802 508265857 /nfs/dbraw/zinc/26/58/57/508265857.db2.gz BMDABCVOSOVPRJ-MDZRGWNJSA-N 1 3 350.551 2.669 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000076980809 508270671 /nfs/dbraw/zinc/27/06/71/508270671.db2.gz ATEIFNUYYQKUTJ-HXUWFJFHSA-N 1 3 358.530 2.764 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000085390619 508305048 /nfs/dbraw/zinc/30/50/48/508305048.db2.gz YUIUXPIDYULMKX-IOMROCGXSA-N 1 3 372.557 2.805 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000085390619 508305050 /nfs/dbraw/zinc/30/50/50/508305050.db2.gz YUIUXPIDYULMKX-IOMROCGXSA-N 1 3 372.557 2.805 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000103313664 508306549 /nfs/dbraw/zinc/30/65/49/508306549.db2.gz RSLFFBBJCYHAMP-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000104339051 508332751 /nfs/dbraw/zinc/33/27/51/508332751.db2.gz VZGLZKKPKVQFBT-NRFANRHFSA-N 1 3 373.541 2.898 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000105082563 508359357 /nfs/dbraw/zinc/35/93/57/508359357.db2.gz QTUWFPMYJZZQHF-WOJBJXKFSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000105082563 508359361 /nfs/dbraw/zinc/35/93/61/508359361.db2.gz QTUWFPMYJZZQHF-WOJBJXKFSA-N 1 3 360.546 2.579 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000077751553 508365734 /nfs/dbraw/zinc/36/57/34/508365734.db2.gz WGVZWZIMEAVVHU-UHFFFAOYSA-N 1 3 361.317 2.628 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC000115272092 508380100 /nfs/dbraw/zinc/38/01/00/508380100.db2.gz SQBDGDCIFSKQQH-QRVBRYPASA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC000115272092 508380101 /nfs/dbraw/zinc/38/01/01/508380101.db2.gz SQBDGDCIFSKQQH-QRVBRYPASA-N 1 3 353.551 2.504 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCOC[C@H]2CCCO2)CC1 ZINC000088725066 508381966 /nfs/dbraw/zinc/38/19/66/508381966.db2.gz GGBHLPDHSSPFKC-HXUWFJFHSA-N 1 3 361.530 2.504 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000077839596 508383396 /nfs/dbraw/zinc/38/33/96/508383396.db2.gz QIFRCEPFLRPBJE-UHFFFAOYSA-N 1 3 366.937 2.506 20 0 FFADHO CC(C)[C@H](C)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000121923692 508449533 /nfs/dbraw/zinc/44/95/33/508449533.db2.gz KPMWBQNPLVFZKG-INIZCTEOSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000127714516 508489655 /nfs/dbraw/zinc/48/96/55/508489655.db2.gz PZJFPZQAFHDETE-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000127714516 508489659 /nfs/dbraw/zinc/48/96/59/508489659.db2.gz PZJFPZQAFHDETE-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000157181109 508533423 /nfs/dbraw/zinc/53/34/23/508533423.db2.gz ORGCPNMVVIMALP-IBGZPJMESA-N 1 3 372.557 2.712 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000157181109 508533429 /nfs/dbraw/zinc/53/34/29/508533429.db2.gz ORGCPNMVVIMALP-IBGZPJMESA-N 1 3 372.557 2.712 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000157178386 508533556 /nfs/dbraw/zinc/53/35/56/508533556.db2.gz BMVTUMHDSHRWNW-SFHLNBCPSA-N 1 3 373.516 2.980 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000157178386 508533561 /nfs/dbraw/zinc/53/35/61/508533561.db2.gz BMVTUMHDSHRWNW-SFHLNBCPSA-N 1 3 373.516 2.980 20 0 FFADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000116710529 508550026 /nfs/dbraw/zinc/55/00/26/508550026.db2.gz LKZJMAIVDIEGGQ-FQEVSTJZSA-N 1 3 358.530 2.950 20 0 FFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128381778 508584929 /nfs/dbraw/zinc/58/49/29/508584929.db2.gz OESNBYOXYBUCHN-GOSISDBHSA-N 1 3 360.546 2.583 20 0 FFADHO CCOc1ccccc1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000157708349 508600807 /nfs/dbraw/zinc/60/08/07/508600807.db2.gz ASMBYANAEPSKDZ-QGZVFWFLSA-N 1 3 362.518 2.965 20 0 FFADHO CCOc1ccccc1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000157708349 508600809 /nfs/dbraw/zinc/60/08/09/508600809.db2.gz ASMBYANAEPSKDZ-QGZVFWFLSA-N 1 3 362.518 2.965 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000157787060 508611566 /nfs/dbraw/zinc/61/15/66/508611566.db2.gz PZEQIEMJGNFTFH-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000157787060 508611568 /nfs/dbraw/zinc/61/15/68/508611568.db2.gz PZEQIEMJGNFTFH-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO C[N@H+](CCCNC(=O)CC1(N2CCOCC2)CCCC1)Cc1ccccc1 ZINC000118759205 508669714 /nfs/dbraw/zinc/66/97/14/508669714.db2.gz SXKYRARLDAFEJY-UHFFFAOYSA-N 1 3 373.541 2.660 20 0 FFADHO C[N@@H+](CCCNC(=O)CC1(N2CCOCC2)CCCC1)Cc1ccccc1 ZINC000118759205 508669716 /nfs/dbraw/zinc/66/97/16/508669716.db2.gz SXKYRARLDAFEJY-UHFFFAOYSA-N 1 3 373.541 2.660 20 0 FFADHO Cc1cc(C)c(Br)c(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000123387380 508678721 /nfs/dbraw/zinc/67/87/21/508678721.db2.gz LNIRHPUMOFBMOG-UHFFFAOYSA-N 1 3 370.335 2.631 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000124349146 508818940 /nfs/dbraw/zinc/81/89/40/508818940.db2.gz SBGLHNXCMGQBJN-SJORKVTESA-N 1 3 350.551 2.623 20 0 FFADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1C1CC1 ZINC000124394298 508824738 /nfs/dbraw/zinc/82/47/38/508824738.db2.gz FMCBGDWKNGGBSI-UHFFFAOYSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000119614759 508829169 /nfs/dbraw/zinc/82/91/69/508829169.db2.gz FEBSESNCPPOZDF-RBBKRZOGSA-N 1 3 368.525 2.697 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000119614759 508829175 /nfs/dbraw/zinc/82/91/75/508829175.db2.gz FEBSESNCPPOZDF-RBBKRZOGSA-N 1 3 368.525 2.697 20 0 FFADHO CC[C@]1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000119736829 508853350 /nfs/dbraw/zinc/85/33/50/508853350.db2.gz RCVWKAGEDSKECR-QFIPXVFZSA-N 1 3 373.541 2.564 20 0 FFADHO CN(c1ccccc1C[NH2+][C@H](CO)Cc1ccccc1)C1CCN(C)CC1 ZINC000131476780 508937871 /nfs/dbraw/zinc/93/78/71/508937871.db2.gz BTOWVGDNZVANKV-NRFANRHFSA-N 1 3 367.537 2.910 20 0 FFADHO Cc1c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000151001735 508938153 /nfs/dbraw/zinc/93/81/53/508938153.db2.gz HECHYPUFLZGNIW-INIZCTEOSA-N 1 3 373.520 2.996 20 0 FFADHO Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000155195428 508944600 /nfs/dbraw/zinc/94/46/00/508944600.db2.gz ZULQZVIIBIQQKO-ZWKOTPCHSA-N 1 3 355.526 2.916 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000120180486 508944989 /nfs/dbraw/zinc/94/49/89/508944989.db2.gz XHJOGHODGFYXNJ-UHFFFAOYSA-N 1 3 370.419 2.784 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377748780 512431615 /nfs/dbraw/zinc/43/16/15/512431615.db2.gz UAHJKPRJJBVTIC-MRXNPFEDSA-N 1 3 355.482 2.956 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132848835 509082823 /nfs/dbraw/zinc/08/28/23/509082823.db2.gz UHUCFODEMBQKCU-FXAWDEMLSA-N 1 3 373.545 2.781 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132848835 509082827 /nfs/dbraw/zinc/08/28/27/509082827.db2.gz UHUCFODEMBQKCU-FXAWDEMLSA-N 1 3 373.545 2.781 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)CC2)cs1 ZINC000161781924 509152771 /nfs/dbraw/zinc/15/27/71/509152771.db2.gz REVRPZPFFHMXSM-MAUKXSAKSA-N 1 3 350.576 2.847 20 0 FFADHO CC1CCN(CC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000182400479 509217551 /nfs/dbraw/zinc/21/75/51/509217551.db2.gz QGUILPMPCCTITA-UHFFFAOYSA-N 1 3 373.541 2.552 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000175999797 509265277 /nfs/dbraw/zinc/26/52/77/509265277.db2.gz VTOYQTGJEIEKSN-SFHVURJKSA-N 1 3 361.530 2.898 20 0 FFADHO O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248402765 509297521 /nfs/dbraw/zinc/29/75/21/509297521.db2.gz NRQKMVYVBLQYHY-QHAWAJNXSA-N 1 3 355.526 2.889 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179260115 509344085 /nfs/dbraw/zinc/34/40/85/509344085.db2.gz ICEJWUOLFGUUOF-WOJBJXKFSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000188965226 509345477 /nfs/dbraw/zinc/34/54/77/509345477.db2.gz IQXYVBHZCJROGD-UHFFFAOYSA-N 1 3 355.526 2.769 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000248564473 509367586 /nfs/dbraw/zinc/36/75/86/509367586.db2.gz OYCLDAVWIWKQJM-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000248564473 509367595 /nfs/dbraw/zinc/36/75/95/509367595.db2.gz OYCLDAVWIWKQJM-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)C1 ZINC000176204674 509377826 /nfs/dbraw/zinc/37/78/26/509377826.db2.gz MKNOJQUBWFYOFI-HDICACEKSA-N 1 3 360.546 2.868 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)C1 ZINC000176204674 509377833 /nfs/dbraw/zinc/37/78/33/509377833.db2.gz MKNOJQUBWFYOFI-HDICACEKSA-N 1 3 360.546 2.868 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000267320608 509446764 /nfs/dbraw/zinc/44/67/64/509446764.db2.gz KDYFHCFVATUUIA-LMNJBCLMSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000267320608 509446770 /nfs/dbraw/zinc/44/67/70/509446770.db2.gz KDYFHCFVATUUIA-LMNJBCLMSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000164611381 509518714 /nfs/dbraw/zinc/51/87/14/509518714.db2.gz KIMCPMMXXDPIRN-JXFKEZNVSA-N 1 3 355.482 2.579 20 0 FFADHO COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C2 ZINC000248989079 509566293 /nfs/dbraw/zinc/56/62/93/509566293.db2.gz GUOXIJRUKWPCEV-LEWJYISDSA-N 1 3 366.505 2.909 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176595246 509602477 /nfs/dbraw/zinc/60/24/77/509602477.db2.gz LAWDGRGQFYGCHL-OALUTQOASA-N 1 3 364.509 2.772 20 0 FFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000237321771 509620907 /nfs/dbraw/zinc/62/09/07/509620907.db2.gz IKKRJBWNIMXEFU-MDZRGWNJSA-N 1 3 363.571 2.861 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000186292095 509627572 /nfs/dbraw/zinc/62/75/72/509627572.db2.gz MFUIQERRLCXPOT-DOTOQJQBSA-N 1 3 352.548 2.724 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000167543467 509634203 /nfs/dbraw/zinc/63/42/03/509634203.db2.gz MAJQGGHCPCOGLP-PZPFTHLGSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000167543467 509634207 /nfs/dbraw/zinc/63/42/07/509634207.db2.gz MAJQGGHCPCOGLP-PZPFTHLGSA-N 1 3 361.530 2.596 20 0 FFADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000192767367 509634962 /nfs/dbraw/zinc/63/49/62/509634962.db2.gz FMPMYTSTVOWMSJ-UHFFFAOYSA-N 1 3 363.521 2.837 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000249421525 509677939 /nfs/dbraw/zinc/67/79/39/509677939.db2.gz HQZDKPOXLMKOCU-UTBUEMAESA-N 1 3 367.578 2.796 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000268013292 509717865 /nfs/dbraw/zinc/71/78/65/509717865.db2.gz HZQFXWFDKPBNSJ-UHFFFAOYSA-N 1 3 364.534 2.865 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000249739799 509748010 /nfs/dbraw/zinc/74/80/10/509748010.db2.gz HUXZGSOBTVGAPB-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000249739799 509748014 /nfs/dbraw/zinc/74/80/14/509748014.db2.gz HUXZGSOBTVGAPB-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCC[NH+]2CCCCCC2)c1 ZINC000183398788 509762040 /nfs/dbraw/zinc/76/20/40/509762040.db2.gz DEAMFEBEACVBSY-INIZCTEOSA-N 1 3 361.486 2.656 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238010620 509797392 /nfs/dbraw/zinc/79/73/92/509797392.db2.gz FQYVKOKFAPIUBD-WDSOQIARSA-N 1 3 361.555 2.997 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000238014281 509799762 /nfs/dbraw/zinc/79/97/62/509799762.db2.gz YUCLXVKCQMCIHS-UXHICEINSA-N 1 3 373.541 2.691 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+](CC)CC)C1(C)C ZINC000186733636 509880721 /nfs/dbraw/zinc/88/07/21/509880721.db2.gz YDEDOYPIFAYEBK-GHTZIAJQSA-N 1 3 361.530 2.677 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@H](N2CCCC2)C1)[NH+]1CCCC1 ZINC000171035044 509900396 /nfs/dbraw/zinc/90/03/96/509900396.db2.gz PJMQAZMGWOCNCV-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO Cc1noc(CCC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)n1 ZINC000268388672 509902090 /nfs/dbraw/zinc/90/20/90/509902090.db2.gz WPWVYADJJNUGKM-UHFFFAOYSA-N 1 3 357.502 2.631 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Br)ccc2F)CC1 ZINC000268457041 509941848 /nfs/dbraw/zinc/94/18/48/509941848.db2.gz YDCMLJVSPYTJHA-UHFFFAOYSA-N 1 3 359.283 2.913 20 0 FFADHO C[C@H](NC(=O)[C@H](CN)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261577559 509992702 /nfs/dbraw/zinc/99/27/02/509992702.db2.gz CVQLDGYHMTWSKV-DZFGPLHGSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@H](NC(=O)[C@H](CN)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261577559 509992711 /nfs/dbraw/zinc/99/27/11/509992711.db2.gz CVQLDGYHMTWSKV-DZFGPLHGSA-N 1 3 351.494 2.756 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000171191491 509997599 /nfs/dbraw/zinc/99/75/99/509997599.db2.gz GTVYRFXUACJJAN-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO CN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268542624 509998834 /nfs/dbraw/zinc/99/88/34/509998834.db2.gz UKDWWXTWFNVZSQ-FQEVSTJZSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268590427 510024833 /nfs/dbraw/zinc/02/48/33/510024833.db2.gz SBHIUZJXXUMBRC-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268590427 510024844 /nfs/dbraw/zinc/02/48/44/510024844.db2.gz SBHIUZJXXUMBRC-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO CCOC(=O)COc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261753470 510052582 /nfs/dbraw/zinc/05/25/82/510052582.db2.gz QKIKVHHEWNMKQQ-CTNGQTDRSA-N 1 3 368.477 2.803 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000245652963 510063079 /nfs/dbraw/zinc/06/30/79/510063079.db2.gz CDLZAYCSLHTMGP-AZUAARDMSA-N 1 3 360.546 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000245652963 510063086 /nfs/dbraw/zinc/06/30/86/510063086.db2.gz CDLZAYCSLHTMGP-AZUAARDMSA-N 1 3 360.546 2.880 20 0 FFADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261826081 510079504 /nfs/dbraw/zinc/07/95/04/510079504.db2.gz MXEINIKGQAODPK-DENIHFKCSA-N 1 3 355.526 2.891 20 0 FFADHO COc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1F ZINC000187138747 510082089 /nfs/dbraw/zinc/08/20/89/510082089.db2.gz MGGCYKOOINPRKP-UHFFFAOYSA-N 1 3 364.465 2.514 20 0 FFADHO COc1cccc2c1CC[C@H]2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000268845205 510097736 /nfs/dbraw/zinc/09/77/36/510097736.db2.gz NTEVIYSNYWOSKJ-HXUWFJFHSA-N 1 3 367.493 2.764 20 0 FFADHO COc1c(Br)cccc1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000187229228 510137814 /nfs/dbraw/zinc/13/78/14/510137814.db2.gz WBLNUCROAXZGDA-OAHLLOKOSA-N 1 3 371.319 2.784 20 0 FFADHO COc1c(Br)cccc1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000187229228 510137821 /nfs/dbraw/zinc/13/78/21/510137821.db2.gz WBLNUCROAXZGDA-OAHLLOKOSA-N 1 3 371.319 2.784 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CN1C1CC1 ZINC000177632195 510170153 /nfs/dbraw/zinc/17/01/53/510170153.db2.gz CBTFSKIMLJINKQ-PXNSSMCTSA-N 1 3 370.541 2.618 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CCC[NH+](C)C)c(C)c2)CC1 ZINC000180910446 510178660 /nfs/dbraw/zinc/17/86/60/510178660.db2.gz KQDANZAHDPEMFE-UHFFFAOYSA-N 1 3 361.534 2.552 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194025678 510180842 /nfs/dbraw/zinc/18/08/42/510180842.db2.gz XMOHMZOFQRYJRA-LPHOPBHVSA-N 1 3 353.938 2.891 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000245877971 510182351 /nfs/dbraw/zinc/18/23/51/510182351.db2.gz MTBSZBIUCJEPHY-ZWKOTPCHSA-N 1 3 352.544 2.951 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000245877971 510182358 /nfs/dbraw/zinc/18/23/58/510182358.db2.gz MTBSZBIUCJEPHY-ZWKOTPCHSA-N 1 3 352.544 2.951 20 0 FFADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262136933 510188163 /nfs/dbraw/zinc/18/81/63/510188163.db2.gz OWPMBVFFOQAGRN-IBGZPJMESA-N 1 3 373.932 2.622 20 0 FFADHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c(C)n1 ZINC000187315152 510188826 /nfs/dbraw/zinc/18/88/26/510188826.db2.gz FRDOFKMGWLEBTG-UHFFFAOYSA-N 1 3 372.557 2.903 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265718251 510193480 /nfs/dbraw/zinc/19/34/80/510193480.db2.gz KHTUJKWBSWPZSP-UHFFFAOYSA-N 1 3 359.514 2.718 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265718251 510193486 /nfs/dbraw/zinc/19/34/86/510193486.db2.gz KHTUJKWBSWPZSP-UHFFFAOYSA-N 1 3 359.514 2.718 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000177678455 510196279 /nfs/dbraw/zinc/19/62/79/510196279.db2.gz CNWPIUBTKGTQKG-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000177678455 510196289 /nfs/dbraw/zinc/19/62/89/510196289.db2.gz CNWPIUBTKGTQKG-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000181000589 510231893 /nfs/dbraw/zinc/23/18/93/510231893.db2.gz IEQCUNLFYGBJAL-HXUWFJFHSA-N 1 3 355.457 2.894 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246030059 510256337 /nfs/dbraw/zinc/25/63/37/510256337.db2.gz VWXDTJYADURMHR-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246030059 510256343 /nfs/dbraw/zinc/25/63/43/510256343.db2.gz VWXDTJYADURMHR-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000177849016 510287272 /nfs/dbraw/zinc/28/72/72/510287272.db2.gz HRGFPKITRKXFCP-HXUWFJFHSA-N 1 3 372.557 2.677 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000177849016 510287280 /nfs/dbraw/zinc/28/72/80/510287280.db2.gz HRGFPKITRKXFCP-HXUWFJFHSA-N 1 3 372.557 2.677 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1cccs1 ZINC000246101366 510292855 /nfs/dbraw/zinc/29/28/55/510292855.db2.gz HFLXLVBJFXIAQK-NUJGCVRESA-N 1 3 364.559 2.867 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269272895 510317822 /nfs/dbraw/zinc/31/78/22/510317822.db2.gz UPAVPNQKFDLAPY-HXUWFJFHSA-N 1 3 366.509 2.818 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246179196 510342426 /nfs/dbraw/zinc/34/24/26/510342426.db2.gz LQPDVASCESYRML-OTYNDTSQSA-N 1 3 370.541 2.966 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000246179196 510342431 /nfs/dbraw/zinc/34/24/31/510342431.db2.gz LQPDVASCESYRML-OTYNDTSQSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178038407 510393542 /nfs/dbraw/zinc/39/35/42/510393542.db2.gz VGXPIMZJFWUYRZ-ZDNFIVBRSA-N 1 3 352.544 2.964 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178038419 510394032 /nfs/dbraw/zinc/39/40/32/510394032.db2.gz VGXPIMZJFWUYRZ-ZDYYEZHASA-N 1 3 352.544 2.964 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000262803755 510418942 /nfs/dbraw/zinc/41/89/42/510418942.db2.gz RWLBYDOLKFTFLH-LUQKVYGDSA-N 1 3 361.530 2.765 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000175010670 510436459 /nfs/dbraw/zinc/43/64/59/510436459.db2.gz JZJKNGPIWXNKLQ-IBGZPJMESA-N 1 3 372.557 2.823 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000175010670 510436467 /nfs/dbraw/zinc/43/64/67/510436467.db2.gz JZJKNGPIWXNKLQ-IBGZPJMESA-N 1 3 372.557 2.823 20 0 FFADHO COc1ccccc1COC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246414110 510476919 /nfs/dbraw/zinc/47/69/19/510476919.db2.gz BRQYZGAVKGAUBX-WMQCIHAUSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccccc1COC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246414110 510476927 /nfs/dbraw/zinc/47/69/27/510476927.db2.gz BRQYZGAVKGAUBX-WMQCIHAUSA-N 1 3 374.525 2.521 20 0 FFADHO C[C@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246514504 510531142 /nfs/dbraw/zinc/53/11/42/510531142.db2.gz VBGLVFOPZWHUSE-FGTMMUONSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246514504 510531146 /nfs/dbraw/zinc/53/11/46/510531146.db2.gz VBGLVFOPZWHUSE-FGTMMUONSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@H](CCSc1ccccc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000178300532 510534395 /nfs/dbraw/zinc/53/43/95/510534395.db2.gz JONXPPMKLNADKE-QGZVFWFLSA-N 1 3 363.571 2.947 20 0 FFADHO C[C@H](NC1(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CCOCC1)c1ccccc1 ZINC000263214991 510614993 /nfs/dbraw/zinc/61/49/93/510614993.db2.gz KTKVRLGFQQLBKX-DSKINZAPSA-N 1 3 373.541 2.910 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194976613 510617320 /nfs/dbraw/zinc/61/73/20/510617320.db2.gz QONYXDJYFSXYHL-OAHLLOKOSA-N 1 3 367.559 2.850 20 0 FFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000263241327 510625968 /nfs/dbraw/zinc/62/59/68/510625968.db2.gz LGWQFTMJKACHEM-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000263241327 510625973 /nfs/dbraw/zinc/62/59/73/510625973.db2.gz LGWQFTMJKACHEM-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000263241327 510625977 /nfs/dbraw/zinc/62/59/77/510625977.db2.gz LGWQFTMJKACHEM-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000178530068 510649554 /nfs/dbraw/zinc/64/95/54/510649554.db2.gz KRKQPHQTJCNJCU-MRXNPFEDSA-N 1 3 367.493 2.764 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000191477712 510680301 /nfs/dbraw/zinc/68/03/01/510680301.db2.gz CLJVOETXDGJRHM-IBGZPJMESA-N 1 3 359.514 2.968 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000191477712 510680306 /nfs/dbraw/zinc/68/03/06/510680306.db2.gz CLJVOETXDGJRHM-IBGZPJMESA-N 1 3 359.514 2.968 20 0 FFADHO CCN1CC[C@@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246831589 510698809 /nfs/dbraw/zinc/69/88/09/510698809.db2.gz BRHIFXUQQOFFCM-RBBKRZOGSA-N 1 3 358.574 2.514 20 0 FFADHO COc1cccc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000191555067 510720508 /nfs/dbraw/zinc/72/05/08/510720508.db2.gz JGQBWQXZMADSCP-UHFFFAOYSA-N 1 3 355.482 2.897 20 0 FFADHO C[C@H](CC(=O)NC1CCN(CCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000178689146 510723034 /nfs/dbraw/zinc/72/30/34/510723034.db2.gz ZKILCDCSJWXSAV-GOSISDBHSA-N 1 3 357.542 2.836 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1C ZINC000266678139 510724243 /nfs/dbraw/zinc/72/42/43/510724243.db2.gz CBGRWPDDWFZRCL-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1C ZINC000266678139 510724248 /nfs/dbraw/zinc/72/42/48/510724248.db2.gz CBGRWPDDWFZRCL-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4(CC4)c4ccccc43)CC2)CC1 ZINC000172482901 510750559 /nfs/dbraw/zinc/75/05/59/510750559.db2.gz QINDRSUZHXITKO-UHFFFAOYSA-N 1 3 368.525 2.806 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178873621 510814947 /nfs/dbraw/zinc/81/49/47/510814947.db2.gz LIZRUAHLHVHAGU-QUCCMNQESA-N 1 3 372.557 2.788 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000178873561 510815096 /nfs/dbraw/zinc/81/50/96/510815096.db2.gz FEWFEZRSQNEEQE-JBACZVJFSA-N 1 3 370.541 2.683 20 0 FFADHO CC(=O)Nc1cccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000263751928 510825974 /nfs/dbraw/zinc/82/59/74/510825974.db2.gz PEUIDMNAKGLUJA-IRXDYDNUSA-N 1 3 359.514 2.966 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247201969 510851386 /nfs/dbraw/zinc/85/13/86/510851386.db2.gz LWFOJRICCJARRX-QRVBRYPASA-N 1 3 352.567 2.728 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000361461540 511054626 /nfs/dbraw/zinc/05/46/26/511054626.db2.gz LEIUQGYOAFBDBP-DLBZAZTESA-N 1 3 360.502 2.684 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000361461540 511054631 /nfs/dbraw/zinc/05/46/31/511054631.db2.gz LEIUQGYOAFBDBP-DLBZAZTESA-N 1 3 360.502 2.684 20 0 FFADHO C[NH+](C)CCC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000271142037 511095572 /nfs/dbraw/zinc/09/55/72/511095572.db2.gz PTFJVIOPPSPIBP-UHFFFAOYSA-N 1 3 356.470 2.969 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000282998385 511194823 /nfs/dbraw/zinc/19/48/23/511194823.db2.gz QXYMQAASHQTUIF-VQTJNVASSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000333346258 511211261 /nfs/dbraw/zinc/21/12/61/511211261.db2.gz QQYWQCGXEOZGOY-WFASDCNBSA-N 1 3 366.893 2.766 20 0 FFADHO O=C1[C@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccccc1F ZINC000298238028 511219623 /nfs/dbraw/zinc/21/96/23/511219623.db2.gz BZWSBYYXRUCICW-GOSISDBHSA-N 1 3 354.429 2.585 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333554044 511283643 /nfs/dbraw/zinc/28/36/43/511283643.db2.gz PQSCCLWJDYPYKW-WPIBWQAYSA-N 1 3 362.562 2.512 20 0 FFADHO COc1cc2nccc(N3CC[NH+](CC4CCOCC4)CC3)c2cc1OC ZINC000298442575 511286087 /nfs/dbraw/zinc/28/60/87/511286087.db2.gz XPUFABSNCBRPCN-UHFFFAOYSA-N 1 3 371.481 2.801 20 0 FFADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000271745859 511308348 /nfs/dbraw/zinc/30/83/48/511308348.db2.gz QVVQDLMMYOEEPG-MRXNPFEDSA-N 1 3 353.532 2.641 20 0 FFADHO CN1CC=C(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000271879887 511357224 /nfs/dbraw/zinc/35/72/24/511357224.db2.gz PEPKTBOWRANQIF-MSOLQXFVSA-N 1 3 367.493 2.835 20 0 FFADHO C[C@]1(CCCO)CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000272069598 511420166 /nfs/dbraw/zinc/42/01/66/511420166.db2.gz YOBNAFMXRFAPBY-JOCHJYFZSA-N 1 3 373.541 2.526 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)CC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000292114408 511470374 /nfs/dbraw/zinc/47/03/74/511470374.db2.gz PUAYRJJULSTBRD-HXUWFJFHSA-N 1 3 372.557 2.546 20 0 FFADHO CC(C)O[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000292284715 511537097 /nfs/dbraw/zinc/53/70/97/511537097.db2.gz OURULTVXFWTUNZ-NRFANRHFSA-N 1 3 373.541 2.828 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC[C@H]21 ZINC000284027666 511579645 /nfs/dbraw/zinc/57/96/45/511579645.db2.gz IDTUAKAHRSRQLW-BHIFYINESA-N 1 3 357.542 2.694 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC[C@H]21 ZINC000284027666 511579650 /nfs/dbraw/zinc/57/96/50/511579650.db2.gz IDTUAKAHRSRQLW-BHIFYINESA-N 1 3 357.542 2.694 20 0 FFADHO CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000284283186 511667688 /nfs/dbraw/zinc/66/76/88/511667688.db2.gz XMKVZHNDZUXCBP-RBUKOAKNSA-N 1 3 350.528 2.728 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303079346 511726866 /nfs/dbraw/zinc/72/68/66/511726866.db2.gz TXHVEICMNBVNCF-OTWHNJEPSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303079346 511726871 /nfs/dbraw/zinc/72/68/71/511726871.db2.gz TXHVEICMNBVNCF-OTWHNJEPSA-N 1 3 352.567 2.774 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303427032 511738462 /nfs/dbraw/zinc/73/84/62/511738462.db2.gz AXAOYKBZFFEDOA-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303427032 511738468 /nfs/dbraw/zinc/73/84/68/511738468.db2.gz AXAOYKBZFFEDOA-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000363785328 511767290 /nfs/dbraw/zinc/76/72/90/511767290.db2.gz OUUKEDLPBIJEGI-PKOBYXMFSA-N 1 3 361.530 2.531 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000312107212 511782572 /nfs/dbraw/zinc/78/25/72/511782572.db2.gz KRYSACMUVLSMBO-NRSPTQNISA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000312107212 511782579 /nfs/dbraw/zinc/78/25/79/511782579.db2.gz KRYSACMUVLSMBO-NRSPTQNISA-N 1 3 355.526 2.841 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092436 511818320 /nfs/dbraw/zinc/81/83/20/511818320.db2.gz UUZKEPREWQBPCW-SWLSCSKDSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092436 511818322 /nfs/dbraw/zinc/81/83/22/511818322.db2.gz UUZKEPREWQBPCW-SWLSCSKDSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092436 511818328 /nfs/dbraw/zinc/81/83/28/511818328.db2.gz UUZKEPREWQBPCW-SWLSCSKDSA-N 1 3 359.297 2.807 20 0 FFADHO COCC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000293272503 511902473 /nfs/dbraw/zinc/90/24/73/511902473.db2.gz CMUQBWFHYOMCFR-KRWDZBQOSA-N 1 3 350.503 2.721 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000296954767 511964121 /nfs/dbraw/zinc/96/41/21/511964121.db2.gz FSKFGKAVQMXRFE-UWJYYQICSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000296954750 511964415 /nfs/dbraw/zinc/96/44/15/511964415.db2.gz FSKFGKAVQMXRFE-DYESRHJHSA-N 1 3 370.541 2.966 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@@H+](C(C)C)CC3)c2)CC1 ZINC000274851386 511964825 /nfs/dbraw/zinc/96/48/25/511964825.db2.gz WUQRSSIQOOMYQS-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@H+](C(C)C)CC3)c2)CC1 ZINC000274851386 511964834 /nfs/dbraw/zinc/96/48/34/511964834.db2.gz WUQRSSIQOOMYQS-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000364138769 511978821 /nfs/dbraw/zinc/97/88/21/511978821.db2.gz MEDQLLCZHKHGOC-UHFFFAOYSA-N 1 3 350.422 2.787 20 0 FFADHO C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274905744 511982798 /nfs/dbraw/zinc/98/27/98/511982798.db2.gz MBMVAGRYQZXJAW-CEWLAPEOSA-N 1 3 365.525 2.946 20 0 FFADHO C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274905744 511982806 /nfs/dbraw/zinc/98/28/06/511982806.db2.gz MBMVAGRYQZXJAW-CEWLAPEOSA-N 1 3 365.525 2.946 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000297106994 512023502 /nfs/dbraw/zinc/02/35/02/512023502.db2.gz QQILIFSHVUHHHN-VZHSDHNVSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000297106994 512023507 /nfs/dbraw/zinc/02/35/07/512023507.db2.gz QQILIFSHVUHHHN-VZHSDHNVSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[C@H](c1ccccc1)N(C)C ZINC000297172829 512047525 /nfs/dbraw/zinc/04/75/25/512047525.db2.gz AFMVCADMEBYGKM-FBBABVLZSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@H](c1ccccc1)N(C)C ZINC000297172829 512047529 /nfs/dbraw/zinc/04/75/29/512047529.db2.gz AFMVCADMEBYGKM-FBBABVLZSA-N 1 3 358.530 2.805 20 0 FFADHO CCC1(C[NH2+][C@H]2CCCS(=O)(=O)C2)CCN(Cc2ccccc2)CC1 ZINC000360059669 512069609 /nfs/dbraw/zinc/06/96/09/512069609.db2.gz OMLYPHUHIIWAKK-IBGZPJMESA-N 1 3 364.555 2.846 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000364303921 512077713 /nfs/dbraw/zinc/07/77/13/512077713.db2.gz OKZJLBYSCYPDPK-NJDAHSKKSA-N 1 3 370.541 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000364303921 512077718 /nfs/dbraw/zinc/07/77/18/512077718.db2.gz OKZJLBYSCYPDPK-NJDAHSKKSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)CC1 ZINC000366549914 512082901 /nfs/dbraw/zinc/08/29/01/512082901.db2.gz DSGQDSWRIGXSHY-LPHOPBHVSA-N 1 3 351.560 2.756 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000411191771 512513604 /nfs/dbraw/zinc/51/36/04/512513604.db2.gz WQVMZJFQMJWEBC-IBGZPJMESA-N 1 3 361.555 2.582 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000367511854 512536027 /nfs/dbraw/zinc/53/60/27/512536027.db2.gz GNCBERHVMULYPV-ROUUACIJSA-N 1 3 365.468 2.602 20 0 FFADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000367511854 512536029 /nfs/dbraw/zinc/53/60/29/512536029.db2.gz GNCBERHVMULYPV-ROUUACIJSA-N 1 3 365.468 2.602 20 0 FFADHO C[C@@H](CN1CCOCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367677665 512611633 /nfs/dbraw/zinc/61/16/33/512611633.db2.gz FXCWALJWHPLDOA-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H](CN1CCOCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367677665 512611638 /nfs/dbraw/zinc/61/16/38/512611638.db2.gz FXCWALJWHPLDOA-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[C@@H]2CCC[C@H]21 ZINC000367746737 512644835 /nfs/dbraw/zinc/64/48/35/512644835.db2.gz OVSYUZNLFKFXCQ-XSDIEEQYSA-N 1 3 371.525 2.558 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374155545 512682891 /nfs/dbraw/zinc/68/28/91/512682891.db2.gz BMBQMQMDTGCFFU-IEBWSBKVSA-N 1 3 371.525 2.823 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)c(C)c2)CC1 ZINC000367975804 512747891 /nfs/dbraw/zinc/74/78/91/512747891.db2.gz CYMNLBYETAVLPP-VQTJNVASSA-N 1 3 370.541 2.711 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000368042291 512776714 /nfs/dbraw/zinc/77/67/14/512776714.db2.gz NCFWAXUXEOAMJH-UHFFFAOYSA-N 1 3 361.578 2.714 20 0 FFADHO CCCCO[C@@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411721377 512778244 /nfs/dbraw/zinc/77/82/44/512778244.db2.gz OLQXSXFFUFOJQU-ZWKOTPCHSA-N 1 3 353.551 2.549 20 0 FFADHO O[C@H](COCc1ccco1)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383736718 512881835 /nfs/dbraw/zinc/88/18/35/512881835.db2.gz ABYBEPXNFNPAAQ-HBMCJLEFSA-N 1 3 370.493 2.611 20 0 FFADHO O[C@H](COCc1ccco1)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383736718 512881839 /nfs/dbraw/zinc/88/18/39/512881839.db2.gz ABYBEPXNFNPAAQ-HBMCJLEFSA-N 1 3 370.493 2.611 20 0 FFADHO CC(=O)Nc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397562093 512947383 /nfs/dbraw/zinc/94/73/83/512947383.db2.gz SJHXJYYKPYLAJC-UHFFFAOYSA-N 1 3 367.493 2.762 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cccc(CN2CCC[C@H](CO)[C@@H]2C)c1 ZINC000412097575 512959488 /nfs/dbraw/zinc/95/94/88/512959488.db2.gz VFMNEMHRCXJGRP-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc(CN2CCC[C@H](CO)[C@@H]2C)c1 ZINC000412097575 512959492 /nfs/dbraw/zinc/95/94/92/512959492.db2.gz VFMNEMHRCXJGRP-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000412097575 512959496 /nfs/dbraw/zinc/95/94/96/512959496.db2.gz VFMNEMHRCXJGRP-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000412097575 512959500 /nfs/dbraw/zinc/95/95/00/512959500.db2.gz VFMNEMHRCXJGRP-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412331586 513042035 /nfs/dbraw/zinc/04/20/35/513042035.db2.gz DURQPSQJHBBSGQ-LJQANCHMSA-N 1 3 367.603 2.928 20 0 FFADHO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000370670967 513044321 /nfs/dbraw/zinc/04/43/21/513044321.db2.gz KBGULNHDONMDPT-DNVCBOLYSA-N 1 3 354.498 2.934 20 0 FFADHO CC(=O)Oc1ccc(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1 ZINC000370686958 513051712 /nfs/dbraw/zinc/05/17/12/513051712.db2.gz BCZVMTQBEXTDJN-UHFFFAOYSA-N 1 3 359.514 2.602 20 0 FFADHO C[C@H]([NH2+]C1CCC(N(C)Cc2ccccc2)CC1)C1(S(C)(=O)=O)CC1 ZINC000370739378 513078165 /nfs/dbraw/zinc/07/81/65/513078165.db2.gz KNSYKRKMHGYCLR-IVMQYODDSA-N 1 3 364.555 2.985 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000372872850 513084435 /nfs/dbraw/zinc/08/44/35/513084435.db2.gz LVIMGTZZBIMHME-ICSRJNTNSA-N 1 3 361.505 2.980 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCC2(N3CCSCC3)CCCCC2)CCC1 ZINC000445852427 513128930 /nfs/dbraw/zinc/12/89/30/513128930.db2.gz SHKDYLSLECNBIO-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417647077 513136745 /nfs/dbraw/zinc/13/67/45/513136745.db2.gz DXQOIUUYYIBJKQ-SFTDATJTSA-N 1 3 370.541 2.825 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000417649579 513137322 /nfs/dbraw/zinc/13/73/22/513137322.db2.gz JTSZHEPCDPWCSV-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000445896338 513141886 /nfs/dbraw/zinc/14/18/86/513141886.db2.gz ZPJXVIKVARSDOI-HOTGVXAUSA-N 1 3 359.436 2.972 20 0 FFADHO Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(OCCN(C)C)c1 ZINC000415208310 513153095 /nfs/dbraw/zinc/15/30/95/513153095.db2.gz VDAPWHOWJJCGLG-YESZJQIVSA-N 1 3 360.502 2.527 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417684116 513159746 /nfs/dbraw/zinc/15/97/46/513159746.db2.gz NLGNJQCVSJPAOB-MBOZVWFJSA-N 1 3 372.557 2.838 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000428688905 513164401 /nfs/dbraw/zinc/16/44/01/513164401.db2.gz PRNBYJLTRLZOJR-FQEVSTJZSA-N 1 3 358.530 2.771 20 0 FFADHO CCN1CCCN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000428694057 513165837 /nfs/dbraw/zinc/16/58/37/513165837.db2.gz APCOFVWAUNEFKS-KXTWHKPSSA-N 1 3 372.557 2.880 20 0 FFADHO CCN1CCCN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000428694057 513165844 /nfs/dbraw/zinc/16/58/44/513165844.db2.gz APCOFVWAUNEFKS-KXTWHKPSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000417816034 513218747 /nfs/dbraw/zinc/21/87/47/513218747.db2.gz BYLWTHJNTPFYEE-PIKOESSRSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417823448 513222306 /nfs/dbraw/zinc/22/23/06/513222306.db2.gz KUFQYBZIKPKCKE-UOILWBJISA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H](C[NH3+])NC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000417827443 513225185 /nfs/dbraw/zinc/22/51/85/513225185.db2.gz NYLJVIWGSZMEQH-GOSISDBHSA-N 1 3 354.498 2.725 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000446361418 513244777 /nfs/dbraw/zinc/24/47/77/513244777.db2.gz BQTJOAHLJVHMMG-ZMSDIMECSA-N 1 3 369.431 2.814 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417880036 513252025 /nfs/dbraw/zinc/25/20/25/513252025.db2.gz SFKJEMCTMLBGBX-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CN1Cc1ccccc1 ZINC000417884627 513254455 /nfs/dbraw/zinc/25/44/55/513254455.db2.gz XNYRPBBALSVTRU-QMMLZNLJSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)CN1 ZINC000417900468 513265652 /nfs/dbraw/zinc/26/56/52/513265652.db2.gz USMPWUMZZMLSOS-GJNTUIEKSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)CN1 ZINC000417900468 513265659 /nfs/dbraw/zinc/26/56/59/513265659.db2.gz USMPWUMZZMLSOS-GJNTUIEKSA-N 1 3 358.530 2.535 20 0 FFADHO CC[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N1CCc2ccccc2C1 ZINC000440203594 513271783 /nfs/dbraw/zinc/27/17/83/513271783.db2.gz BRCBOIYIOQXULR-HXUWFJFHSA-N 1 3 360.546 2.805 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000434353565 513296426 /nfs/dbraw/zinc/29/64/26/513296426.db2.gz WPZCATQXLUCVQI-UXHICEINSA-N 1 3 350.466 2.946 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000434353565 513296432 /nfs/dbraw/zinc/29/64/32/513296432.db2.gz WPZCATQXLUCVQI-UXHICEINSA-N 1 3 350.466 2.946 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[C@@H]1c1ccccc1 ZINC000417949011 513299579 /nfs/dbraw/zinc/29/95/79/513299579.db2.gz UKKWUCWHJMYFDA-AABGKKOBSA-N 1 3 356.514 2.605 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418023707 513339487 /nfs/dbraw/zinc/33/94/87/513339487.db2.gz BWMYKHCRYGPWQN-CTNGQTDRSA-N 1 3 360.546 2.832 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418028424 513341845 /nfs/dbraw/zinc/34/18/45/513341845.db2.gz HNNPOQWUFQANSA-HBMCJLEFSA-N 1 3 372.557 2.784 20 0 FFADHO OCC[C@@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@H]2CCO)ccc1F ZINC000450787183 513342945 /nfs/dbraw/zinc/34/29/45/513342945.db2.gz ICKQQRYWOVIWPR-OALUTQOASA-N 1 3 350.478 2.519 20 0 FFADHO OCC[C@@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@H]2CCO)ccc1F ZINC000450787183 513342952 /nfs/dbraw/zinc/34/29/52/513342952.db2.gz ICKQQRYWOVIWPR-OALUTQOASA-N 1 3 350.478 2.519 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000418130954 513383804 /nfs/dbraw/zinc/38/38/04/513383804.db2.gz COGQOIYCXFIKDS-NRFANRHFSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000418133838 513385796 /nfs/dbraw/zinc/38/57/96/513385796.db2.gz GLTAAXHQERYFQD-VQTJNVASSA-N 1 3 358.530 2.728 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000418141341 513387658 /nfs/dbraw/zinc/38/76/58/513387658.db2.gz KWGIYAVFKJIPHV-JGUMPVPUSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418143445 513389417 /nfs/dbraw/zinc/38/94/17/513389417.db2.gz MEENWDZJVXGHQM-VDGAXYAQSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418143443 513389817 /nfs/dbraw/zinc/38/98/17/513389817.db2.gz MEENWDZJVXGHQM-PWIZWCRZSA-N 1 3 358.530 2.666 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418151793 513393020 /nfs/dbraw/zinc/39/30/20/513393020.db2.gz GBVSVGFGEKZCRI-RTBURBONSA-N 1 3 360.546 2.960 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000418152941 513393228 /nfs/dbraw/zinc/39/32/28/513393228.db2.gz UHUGYADMEVDSLZ-OAQYLSRUSA-N 1 3 372.557 2.928 20 0 FFADHO [NH3+]CCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418156318 513396285 /nfs/dbraw/zinc/39/62/85/513396285.db2.gz MQKBFDGZWDDKKM-LEWJYISDSA-N 1 3 366.509 2.693 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000440771445 513401912 /nfs/dbraw/zinc/40/19/12/513401912.db2.gz NSBHJMSEBJFWLQ-FFZOFVMBSA-N 1 3 370.541 2.748 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000440771445 513401915 /nfs/dbraw/zinc/40/19/15/513401915.db2.gz NSBHJMSEBJFWLQ-FFZOFVMBSA-N 1 3 370.541 2.748 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccco1 ZINC000418168091 513402388 /nfs/dbraw/zinc/40/23/88/513402388.db2.gz NVOFMCLMKTWCTO-JQHSSLGASA-N 1 3 362.518 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccco1 ZINC000418168003 513402601 /nfs/dbraw/zinc/40/26/01/513402601.db2.gz NIVFUEVRWDIZAX-DOTOQJQBSA-N 1 3 350.507 2.740 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418179341 513407481 /nfs/dbraw/zinc/40/74/81/513407481.db2.gz AJEIYZKRJFAZQN-SFHVURJKSA-N 1 3 364.534 2.893 20 0 FFADHO CN(C)[C@H]1CCC[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000429555968 513409854 /nfs/dbraw/zinc/40/98/54/513409854.db2.gz XHPIEMRUSFMBMH-IBGZPJMESA-N 1 3 356.518 2.927 20 0 FFADHO CN(C)[C@H]1CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000429555968 513409862 /nfs/dbraw/zinc/40/98/62/513409862.db2.gz XHPIEMRUSFMBMH-IBGZPJMESA-N 1 3 356.518 2.927 20 0 FFADHO C[NH+](C)[C@H]1CCCN(CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000429555968 513409866 /nfs/dbraw/zinc/40/98/66/513409866.db2.gz XHPIEMRUSFMBMH-IBGZPJMESA-N 1 3 356.518 2.927 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185226 513410213 /nfs/dbraw/zinc/41/02/13/513410213.db2.gz QVAUCDGFRODGSY-WMLDXEAASA-N 1 3 352.910 2.713 20 0 FFADHO CCC[NH2+]CCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415799575 513425697 /nfs/dbraw/zinc/42/56/97/513425697.db2.gz CLBPVOIVIJVWES-UHFFFAOYSA-N 1 3 368.909 2.934 20 0 FFADHO CCC[C@H]1CNCCN1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000418230808 513431903 /nfs/dbraw/zinc/43/19/03/513431903.db2.gz JTSQFRMGMWMUJK-FUHWJXTLSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000418230842 513432424 /nfs/dbraw/zinc/43/24/24/513432424.db2.gz KAJORNMENSEQFF-KDOFPFPSSA-N 1 3 364.559 2.780 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000418236164 513435252 /nfs/dbraw/zinc/43/52/52/513435252.db2.gz UKHFZHKLRYWWJS-DOTOQJQBSA-N 1 3 352.548 2.684 20 0 FFADHO CCN(C(=O)NCCC[NH2+]C1CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418282282 513451215 /nfs/dbraw/zinc/45/12/15/513451215.db2.gz GVHVRFXBYSUPBJ-YLJYHZDGSA-N 1 3 358.530 2.996 20 0 FFADHO COCCC[NH+]1CCC(Nc2ccnc3cc(OC)c(OC)cc32)CC1 ZINC000413112785 513455594 /nfs/dbraw/zinc/45/55/94/513455594.db2.gz KJHRWCROWPMGIZ-UHFFFAOYSA-N 1 3 359.470 2.587 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000415881081 513461447 /nfs/dbraw/zinc/46/14/47/513461447.db2.gz SYBRRZUZUHIEJO-IBGZPJMESA-N 1 3 373.545 2.925 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000415881081 513461452 /nfs/dbraw/zinc/46/14/52/513461452.db2.gz SYBRRZUZUHIEJO-IBGZPJMESA-N 1 3 373.545 2.925 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)Cc1ccccc1 ZINC000441015289 513461463 /nfs/dbraw/zinc/46/14/63/513461463.db2.gz KDLRNENXGTWGSP-LMNJBCLMSA-N 1 3 372.557 2.864 20 0 FFADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cccc(CN(C)C)c1 ZINC000447435820 513476916 /nfs/dbraw/zinc/47/69/16/513476916.db2.gz RIVZGWUITIGIRR-QGZVFWFLSA-N 1 3 372.538 2.765 20 0 FFADHO CCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418351380 513477919 /nfs/dbraw/zinc/47/79/19/513477919.db2.gz ZRCHWRGWOWFIMZ-BJLQDIEVSA-N 1 3 358.530 2.853 20 0 FFADHO COc1ccc2[nH+]c3c(c(N[C@@H](C)CN4CCN(C)CC4)c2c1)CCCC3 ZINC000413144363 513480157 /nfs/dbraw/zinc/48/01/57/513480157.db2.gz YEOGFDLQHLTXIZ-INIZCTEOSA-N 1 3 368.525 2.592 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)N(C)Cc1ccccc1 ZINC000415930940 513483841 /nfs/dbraw/zinc/48/38/41/513483841.db2.gz AWNYJHKDZUUGRK-MRXNPFEDSA-N 1 3 356.470 2.666 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000418363400 513484729 /nfs/dbraw/zinc/48/47/29/513484729.db2.gz VTWCHIRVSOTXQQ-PWRODBHTSA-N 1 3 366.509 2.865 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)Nc1ccc2c(c1F)CCNC2)[NH+](C)C ZINC000415963894 513504487 /nfs/dbraw/zinc/50/44/87/513504487.db2.gz WLKNTXKMFCNIQE-QGZVFWFLSA-N 1 3 350.482 2.959 20 0 FFADHO CN(CCCN(C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)Cc1ccco1 ZINC000415977342 513513727 /nfs/dbraw/zinc/51/37/27/513513727.db2.gz SOCZYIVAFIQUGO-UHFFFAOYSA-N 1 3 372.469 2.747 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000447586445 513515053 /nfs/dbraw/zinc/51/50/53/513515053.db2.gz NXIDNEKLLWMTFW-FZSNAYQGSA-N 1 3 353.510 2.781 20 0 FFADHO N[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000418452379 513517647 /nfs/dbraw/zinc/51/76/47/513517647.db2.gz NWLSDUFBGOPAPT-UYAOXDASSA-N 1 3 358.530 2.984 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000418490849 513530896 /nfs/dbraw/zinc/53/08/96/513530896.db2.gz NJORXYAUNMZCFJ-FOIQADDNSA-N 1 3 370.497 2.817 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000416007568 513534206 /nfs/dbraw/zinc/53/42/06/513534206.db2.gz MYFOCNZXMPIMRM-JSGCOSHPSA-N 1 3 360.424 2.695 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503650 513536724 /nfs/dbraw/zinc/53/67/24/513536724.db2.gz YTBGKEVVIYYORK-WOJBJXKFSA-N 1 3 354.498 2.964 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503650 513536732 /nfs/dbraw/zinc/53/67/32/513536732.db2.gz YTBGKEVVIYYORK-WOJBJXKFSA-N 1 3 354.498 2.964 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418524573 513542502 /nfs/dbraw/zinc/54/25/02/513542502.db2.gz WVKWOVUWYMRIIK-UHFFFAOYSA-N 1 3 360.546 2.582 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425395874 513543584 /nfs/dbraw/zinc/54/35/84/513543584.db2.gz JGNCVABCKONKCU-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418533673 513545988 /nfs/dbraw/zinc/54/59/88/513545988.db2.gz DQWUQSYSWRDJSO-IRLDBZIGSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418535394 513547760 /nfs/dbraw/zinc/54/77/60/513547760.db2.gz HFYNMTSFRIKFHC-NQIIRXRSSA-N 1 3 358.530 2.540 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418548785 513553195 /nfs/dbraw/zinc/55/31/95/513553195.db2.gz LDDMVVFRENDPMJ-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000418552890 513554412 /nfs/dbraw/zinc/55/44/12/513554412.db2.gz LFWQTALLUFUJLT-UHFFFAOYSA-N 1 3 356.514 2.697 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418596282 513571787 /nfs/dbraw/zinc/57/17/87/513571787.db2.gz ORQDYVLEBSOKGA-PXNSSMCTSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C[NH+]1CCCC1 ZINC000425473352 513584085 /nfs/dbraw/zinc/58/40/85/513584085.db2.gz JWYWIMCBGKUUJG-HLAWJBBLSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418631494 513584411 /nfs/dbraw/zinc/58/44/11/513584411.db2.gz BCZTXYZCLLIRPX-QGZVFWFLSA-N 1 3 350.894 2.552 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418642926 513588865 /nfs/dbraw/zinc/58/88/65/513588865.db2.gz OXEAGPDKLKXQIW-NRFANRHFSA-N 1 3 370.541 2.850 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000430238910 513594666 /nfs/dbraw/zinc/59/46/66/513594666.db2.gz LLSDZRSUYULHMX-RBBKRZOGSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000430238910 513594673 /nfs/dbraw/zinc/59/46/73/513594673.db2.gz LLSDZRSUYULHMX-RBBKRZOGSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422143441 513594955 /nfs/dbraw/zinc/59/49/55/513594955.db2.gz PQGGJDYXFQWDBZ-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418718542 513623058 /nfs/dbraw/zinc/62/30/58/513623058.db2.gz KGWZVHYPFGEJRV-PBHICJAKSA-N 1 3 368.472 2.556 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418732730 513628412 /nfs/dbraw/zinc/62/84/12/513628412.db2.gz UTFNOUOTBHMYLL-MISYRCLQSA-N 1 3 358.530 2.667 20 0 FFADHO CS[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1N1CCCC1 ZINC000416197876 513639956 /nfs/dbraw/zinc/63/99/56/513639956.db2.gz JCLAKWZYVHKIOW-GBESFXJTSA-N 1 3 361.555 2.718 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418762522 513645758 /nfs/dbraw/zinc/64/57/58/513645758.db2.gz IWIZJZFGVUCFGW-ZCNNSNEGSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000422237023 513651680 /nfs/dbraw/zinc/65/16/80/513651680.db2.gz PTUJSABOUVWIBZ-XYJFISCASA-N 1 3 364.559 2.867 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000422237023 513651685 /nfs/dbraw/zinc/65/16/85/513651685.db2.gz PTUJSABOUVWIBZ-XYJFISCASA-N 1 3 364.559 2.867 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC2([S@](C)=O)CCC2)CC1 ZINC000435723797 513667781 /nfs/dbraw/zinc/66/77/81/513667781.db2.gz AAFFINSFBAPKTB-VWLOTQADSA-N 1 3 363.571 2.609 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)[C@@H]2C1 ZINC000425644856 513676086 /nfs/dbraw/zinc/67/60/86/513676086.db2.gz NKTHIDTVTHVASR-GVDBMIGSSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)[C@@H]2C1 ZINC000425644856 513676092 /nfs/dbraw/zinc/67/60/92/513676092.db2.gz NKTHIDTVTHVASR-GVDBMIGSSA-N 1 3 362.543 2.621 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC000425648533 513678331 /nfs/dbraw/zinc/67/83/31/513678331.db2.gz UYDVBUDYVJBCGP-XUVXKRRUSA-N 1 3 358.530 2.587 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC000425648533 513678338 /nfs/dbraw/zinc/67/83/38/513678338.db2.gz UYDVBUDYVJBCGP-XUVXKRRUSA-N 1 3 358.530 2.587 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425654932 513681381 /nfs/dbraw/zinc/68/13/81/513681381.db2.gz PJKXKOKGAUBBRA-XSDIEEQYSA-N 1 3 368.525 2.529 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425654932 513681389 /nfs/dbraw/zinc/68/13/89/513681389.db2.gz PJKXKOKGAUBBRA-XSDIEEQYSA-N 1 3 368.525 2.529 20 0 FFADHO COc1cc(NC(=O)CCN2CCC[C@@H]([C@@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000430555233 513686129 /nfs/dbraw/zinc/68/61/29/513686129.db2.gz HVIGNIINMLQKGN-CHWSQXEVSA-N 1 3 369.893 2.745 20 0 FFADHO C[C@H](CCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000425682956 513700675 /nfs/dbraw/zinc/70/06/75/513700675.db2.gz QAHIDGAGRCXDFV-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000425682956 513700681 /nfs/dbraw/zinc/70/06/81/513700681.db2.gz QAHIDGAGRCXDFV-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000430615869 513705337 /nfs/dbraw/zinc/70/53/37/513705337.db2.gz DQQXFSOBQICVDX-WFASDCNBSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000430615869 513705342 /nfs/dbraw/zinc/70/53/42/513705342.db2.gz DQQXFSOBQICVDX-WFASDCNBSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000430945477 513788704 /nfs/dbraw/zinc/78/87/04/513788704.db2.gz QWBSSKNMYLDBGC-HUUCEWRRSA-N 1 3 367.921 2.625 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)CN(C)C ZINC000425945267 513803022 /nfs/dbraw/zinc/80/30/22/513803022.db2.gz QCUDJULMKQFVCF-QWHCGFSZSA-N 1 3 356.308 2.954 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H](C)C[NH+](C)C ZINC000425945267 513803030 /nfs/dbraw/zinc/80/30/30/513803030.db2.gz QCUDJULMKQFVCF-QWHCGFSZSA-N 1 3 356.308 2.954 20 0 FFADHO CCN1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000442893385 513806154 /nfs/dbraw/zinc/80/61/54/513806154.db2.gz GORYZZJDLNFPNL-DENIHFKCSA-N 1 3 355.526 2.889 20 0 FFADHO CCN1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000442893385 513806160 /nfs/dbraw/zinc/80/61/60/513806160.db2.gz GORYZZJDLNFPNL-DENIHFKCSA-N 1 3 355.526 2.889 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000443056512 513855294 /nfs/dbraw/zinc/85/52/94/513855294.db2.gz CTANYIWWCBAVJB-CZUORRHYSA-N 1 3 355.404 2.872 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000443056804 513855706 /nfs/dbraw/zinc/85/57/06/513855706.db2.gz DDYWUPUKPREUIO-BBRMVZONSA-N 1 3 371.403 2.751 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)CN3CCC[C@H](CC[NH3+])C3)ccc2c1 ZINC000443073775 513864453 /nfs/dbraw/zinc/86/44/53/513864453.db2.gz PSCHBZIJSGJGDF-QGZVFWFLSA-N 1 3 369.509 2.868 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000443232498 513908051 /nfs/dbraw/zinc/90/80/51/513908051.db2.gz VWQUJZOXCIIAPR-HKUYNNGSSA-N 1 3 360.546 2.927 20 0 FFADHO OC1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422741083 513919422 /nfs/dbraw/zinc/91/94/22/513919422.db2.gz NTKDOXIORFHAGX-FDFHNCONSA-N 1 3 357.542 2.654 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422747055 513921387 /nfs/dbraw/zinc/92/13/87/513921387.db2.gz OZGKAQSBAZWUKK-MAZHCROVSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422747055 513921393 /nfs/dbraw/zinc/92/13/93/513921393.db2.gz OZGKAQSBAZWUKK-MAZHCROVSA-N 1 3 353.304 2.823 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](c2ccccc2)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000422777731 513929158 /nfs/dbraw/zinc/92/91/58/513929158.db2.gz GINIJNJPIBWXMN-UHOSZYNNSA-N 1 3 360.498 2.818 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000422788577 513933103 /nfs/dbraw/zinc/93/31/03/513933103.db2.gz SKMCHZJMDLABJE-ZWKOTPCHSA-N 1 3 367.541 2.710 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2c(F)cccc2OC)CC[NH2+]CC1 ZINC000422795966 513935046 /nfs/dbraw/zinc/93/50/46/513935046.db2.gz XCEHNSJQCHIWLI-KGLIPLIRSA-N 1 3 352.450 2.806 20 0 FFADHO [NH3+][C@@H]1C[C@H](NCCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422814467 513941366 /nfs/dbraw/zinc/94/13/66/513941366.db2.gz UYWNWNOCKRLQFU-YADHBBJMSA-N 1 3 350.510 2.933 20 0 FFADHO N[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422814467 513941372 /nfs/dbraw/zinc/94/13/72/513941372.db2.gz UYWNWNOCKRLQFU-YADHBBJMSA-N 1 3 350.510 2.933 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422853533 513953010 /nfs/dbraw/zinc/95/30/10/513953010.db2.gz ZBVGTMZAPWPTKG-PNHOKKKMSA-N 1 3 371.456 2.920 20 0 FFADHO Cc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCOCC2)c1 ZINC000422853146 513954131 /nfs/dbraw/zinc/95/41/31/513954131.db2.gz BNSSWYGRKAJXMN-JTSKRJEESA-N 1 3 368.525 2.881 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422856789 513954324 /nfs/dbraw/zinc/95/43/24/513954324.db2.gz GLSGMNMOORIHJY-ZWKOTPCHSA-N 1 3 367.541 2.710 20 0 FFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422863586 513956593 /nfs/dbraw/zinc/95/65/93/513956593.db2.gz SDOUIYWCPHTLHL-XJKSGUPXSA-N 1 3 368.319 2.547 20 0 FFADHO CC[C@H](NC1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422876763 513959576 /nfs/dbraw/zinc/95/95/76/513959576.db2.gz GNFHKYMCTMDJEL-FOIPXRHGSA-N 1 3 353.576 2.631 20 0 FFADHO Cc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000422885986 513963744 /nfs/dbraw/zinc/96/37/44/513963744.db2.gz ZVMGXSLCFOJQOY-HLAWJBBLSA-N 1 3 358.526 2.790 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000422896450 513968670 /nfs/dbraw/zinc/96/86/70/513968670.db2.gz IHIJBURJFWPTCR-JQHSSLGASA-N 1 3 360.498 2.959 20 0 FFADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422918265 513975011 /nfs/dbraw/zinc/97/50/11/513975011.db2.gz HSFWSIXZDQOWSS-OKZBNKHCSA-N 1 3 357.498 2.703 20 0 FFADHO O=C1COc2ccccc2N1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422918265 513975014 /nfs/dbraw/zinc/97/50/14/513975014.db2.gz HSFWSIXZDQOWSS-OKZBNKHCSA-N 1 3 357.498 2.703 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCNCC[C@H]3C)CC2)cs1 ZINC000422915994 513975952 /nfs/dbraw/zinc/97/59/52/513975952.db2.gz ZODZPRISHVEYCU-CRAIPNDOSA-N 1 3 350.576 2.895 20 0 FFADHO CCOC(=O)COc1ccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422923293 513976575 /nfs/dbraw/zinc/97/65/75/513976575.db2.gz VUFFRCUVQQEKLS-VQTJNVASSA-N 1 3 354.450 2.905 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2CCOc3c(CC)cccc32)CC[NH2+]CC1 ZINC000422943432 513984747 /nfs/dbraw/zinc/98/47/47/513984747.db2.gz KGVDFDIFLORORI-YJBOKZPZSA-N 1 3 360.498 2.984 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000422945774 513986239 /nfs/dbraw/zinc/98/62/39/513986239.db2.gz NVGICJJYRKPDMU-YAJHFMINSA-N 1 3 359.514 2.543 20 0 FFADHO c1cnc2c(c1)cccc2OCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422952201 513989258 /nfs/dbraw/zinc/98/92/58/513989258.db2.gz AJXHAYTTWNTVJN-GUDVDZBRSA-N 1 3 355.482 2.750 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)N(C)C)cc1 ZINC000416830822 513989527 /nfs/dbraw/zinc/98/95/27/513989527.db2.gz AOUTWVQESOVWGT-HAGHYFMRSA-N 1 3 358.530 2.621 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422958278 513991411 /nfs/dbraw/zinc/99/14/11/513991411.db2.gz OYEVWJYXMULOBQ-HNNXBMFYSA-N 1 3 352.482 2.869 20 0 FFADHO O[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)C1 ZINC000422977367 513997227 /nfs/dbraw/zinc/99/72/27/513997227.db2.gz JWODZWIIFCXDEC-MBDNFAEBSA-N 1 3 357.542 2.524 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000416843644 513998978 /nfs/dbraw/zinc/99/89/78/513998978.db2.gz PBOPSSKALRHARK-HZPDHXFCSA-N 1 3 350.532 2.655 20 0 FFADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422994152 514003633 /nfs/dbraw/zinc/00/36/33/514003633.db2.gz UQVZGHCBIHVTQK-CZUORRHYSA-N 1 3 368.319 2.503 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1CN(C)Cc1ccco1 ZINC000423001896 514004344 /nfs/dbraw/zinc/00/43/44/514004344.db2.gz FEANVOCBCRDGLK-ZLGUVYLKSA-N 1 3 357.498 2.754 20 0 FFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(OC)cc1 ZINC000414191187 514004641 /nfs/dbraw/zinc/00/46/41/514004641.db2.gz LDCBZAVLWIAUDZ-FQEVSTJZSA-N 1 3 361.530 2.533 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(F)c(Cl)c1 ZINC000414196447 514007412 /nfs/dbraw/zinc/00/74/12/514007412.db2.gz OWPUSCRCCBPNIM-HNNXBMFYSA-N 1 3 369.912 2.926 20 0 FFADHO COc1ccc(C[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000423022906 514010661 /nfs/dbraw/zinc/01/06/61/514010661.db2.gz INQLXHPUZSNXOP-JCHJZTRSSA-N 1 3 362.514 2.629 20 0 FFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@H]3CN)nc12 ZINC000423042545 514016987 /nfs/dbraw/zinc/01/69/87/514016987.db2.gz ZQXYBIOYUQJFFS-SWLSCSKDSA-N 1 3 351.292 2.665 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCC[C@H]3C[NH3+])nc12 ZINC000423042545 514016988 /nfs/dbraw/zinc/01/69/88/514016988.db2.gz ZQXYBIOYUQJFFS-SWLSCSKDSA-N 1 3 351.292 2.665 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000416878810 514019718 /nfs/dbraw/zinc/01/97/18/514019718.db2.gz FBKUBAOVSOCIPS-WOJBJXKFSA-N 1 3 358.530 2.812 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423076741 514030494 /nfs/dbraw/zinc/03/04/94/514030494.db2.gz RXSZVVZYOANCGQ-YQQAZPJKSA-N 1 3 355.320 2.707 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1ccccc1Br ZINC000423077538 514031316 /nfs/dbraw/zinc/03/13/16/514031316.db2.gz UEUBSEOUWIIZRW-KEYYUXOJSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423077538 514031323 /nfs/dbraw/zinc/03/13/23/514031323.db2.gz UEUBSEOUWIIZRW-KEYYUXOJSA-N 1 3 355.320 2.578 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416908619 514040309 /nfs/dbraw/zinc/04/03/09/514040309.db2.gz WPMMMHCJZGYDIT-JOCHJYFZSA-N 1 3 370.541 2.958 20 0 FFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CS(C)(=O)=O)CCC2)CC1 ZINC000414323570 514046828 /nfs/dbraw/zinc/04/68/28/514046828.db2.gz HLVIASOJQLHWEW-SJLPKXTDSA-N 1 3 356.576 2.834 20 0 FFADHO COC[C@H](CC(C)C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414325335 514048669 /nfs/dbraw/zinc/04/86/69/514048669.db2.gz LWIBGDYJIVHWCG-FQEVSTJZSA-N 1 3 361.530 2.535 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1cccc(OC)c1 ZINC000416928715 514050754 /nfs/dbraw/zinc/05/07/54/514050754.db2.gz VQBBNLUIHGYEPV-FAFZWHIHSA-N 1 3 362.518 2.647 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)[C@@H]3CCCCN3)CC2)cc1 ZINC000423147038 514059627 /nfs/dbraw/zinc/05/96/27/514059627.db2.gz BUHNYCPZYUDZRY-KKSFZXQISA-N 1 3 358.530 2.730 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCC(C)(C)[NH3+])cc1 ZINC000416945533 514059844 /nfs/dbraw/zinc/05/98/44/514059844.db2.gz ADILWBIMZPUGIF-UHFFFAOYSA-N 1 3 354.498 2.952 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@H]2CN)cc1Br ZINC000423149840 514062091 /nfs/dbraw/zinc/06/20/91/514062091.db2.gz BAOXFXHCVKGYDA-YQQAZPJKSA-N 1 3 355.320 2.626 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000423149840 514062093 /nfs/dbraw/zinc/06/20/93/514062093.db2.gz BAOXFXHCVKGYDA-YQQAZPJKSA-N 1 3 355.320 2.626 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3ccc4c(c3)OCCCCO4)CC2)CC1 ZINC000449107777 514074817 /nfs/dbraw/zinc/07/48/17/514074817.db2.gz NRELKJLNTQHZPR-UHFFFAOYSA-N 1 3 373.541 2.886 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000416971109 514077570 /nfs/dbraw/zinc/07/75/70/514077570.db2.gz GIYCWBSZMABCOF-UHFFFAOYSA-N 1 3 358.530 2.920 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000420298703 514078186 /nfs/dbraw/zinc/07/81/86/514078186.db2.gz FVOCXEYAYHMNNP-GOSISDBHSA-N 1 3 353.466 2.501 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000420298703 514078194 /nfs/dbraw/zinc/07/81/94/514078194.db2.gz FVOCXEYAYHMNNP-GOSISDBHSA-N 1 3 353.466 2.501 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000420297124 514078824 /nfs/dbraw/zinc/07/88/24/514078824.db2.gz QXEOSVRRCGQEMR-FZKQIMNGSA-N 1 3 351.441 2.515 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 ZINC000416978426 514085552 /nfs/dbraw/zinc/08/55/52/514085552.db2.gz RCVAFCJFKFPFHU-UHFFFAOYSA-N 1 3 372.557 2.991 20 0 FFADHO C[C@H](Nc1ccc(N2CCNCC2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423231482 514086287 /nfs/dbraw/zinc/08/62/87/514086287.db2.gz LHDNVXTUKBYFMW-ICSRJNTNSA-N 1 3 365.525 2.814 20 0 FFADHO C[C@H](Nc1ccc(N2CCNCC2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423231482 514086295 /nfs/dbraw/zinc/08/62/95/514086295.db2.gz LHDNVXTUKBYFMW-ICSRJNTNSA-N 1 3 365.525 2.814 20 0 FFADHO CN1CCO[C@H]([C@H](NCC[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000423261372 514095010 /nfs/dbraw/zinc/09/50/10/514095010.db2.gz RZVPCQUMSSJVNT-ZYSHUDEJSA-N 1 3 351.922 2.691 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423294112 514102506 /nfs/dbraw/zinc/10/25/06/514102506.db2.gz SWTRTRDNDXAKEN-LSDHHAIUSA-N 1 3 361.511 2.821 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccsc1 ZINC000417002318 514108294 /nfs/dbraw/zinc/10/82/94/514108294.db2.gz GEMGGMCYWOYMBK-LEUOFYLZSA-N 1 3 364.559 2.900 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417008050 514112890 /nfs/dbraw/zinc/11/28/90/514112890.db2.gz ICHZKLJABSKWJU-FFZOFVMBSA-N 1 3 358.530 2.640 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000417010510 514115482 /nfs/dbraw/zinc/11/54/82/514115482.db2.gz PJDUPXCLEUAMGR-IAGOWNOFSA-N 1 3 352.548 2.962 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2NCCCC2(C)C)cc1Cl ZINC000423358789 514117051 /nfs/dbraw/zinc/11/70/51/514117051.db2.gz UKJJYMNJPSIMHE-INIZCTEOSA-N 1 3 353.894 2.997 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417012403 514117615 /nfs/dbraw/zinc/11/76/15/514117615.db2.gz AIJNQZDJEXEAMT-NHCUHLMSSA-N 1 3 370.541 2.855 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccsc1 ZINC000417012943 514118003 /nfs/dbraw/zinc/11/80/03/514118003.db2.gz YCFDAKJVDLTUEX-ZMSDIMECSA-N 1 3 352.548 2.900 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)CC1 ZINC000417018278 514122441 /nfs/dbraw/zinc/12/24/41/514122441.db2.gz PVPOARPHRRCOAR-NRFANRHFSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000417048240 514140742 /nfs/dbraw/zinc/14/07/42/514140742.db2.gz RDMPXZDLDYIQCN-IRXDYDNUSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000417049507 514141895 /nfs/dbraw/zinc/14/18/95/514141895.db2.gz UICYBPQZIDHGHM-PXNSSMCTSA-N 1 3 358.530 2.827 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000417049507 514141899 /nfs/dbraw/zinc/14/18/99/514141899.db2.gz UICYBPQZIDHGHM-PXNSSMCTSA-N 1 3 358.530 2.827 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccc(Cl)c(Cl)c2)(N2CCOCC2)CC1 ZINC000414487392 514144926 /nfs/dbraw/zinc/14/49/26/514144926.db2.gz RZZNXKQZNLFATG-UHFFFAOYSA-N 1 3 372.340 2.880 20 0 FFADHO CNC(=O)[C@H](CCSC)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449329446 514168142 /nfs/dbraw/zinc/16/81/42/514168142.db2.gz OHPPGUKNKVGLLH-LPHOPBHVSA-N 1 3 363.571 2.539 20 0 FFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000427275859 514169093 /nfs/dbraw/zinc/16/90/93/514169093.db2.gz UYMPRCDUPFHIHJ-QGZVFWFLSA-N 1 3 353.576 2.634 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423701457 514207197 /nfs/dbraw/zinc/20/71/97/514207197.db2.gz VWTIWEPTVPJDSA-DFQSSKMNSA-N 1 3 361.505 2.933 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCC1CC[NH2+]CC1 ZINC000423746176 514217643 /nfs/dbraw/zinc/21/76/43/514217643.db2.gz NKEBKNQNVONHFQ-UHFFFAOYSA-N 1 3 353.457 2.635 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000423760050 514220465 /nfs/dbraw/zinc/22/04/65/514220465.db2.gz MVQLIFWXHOXBMC-MRXNPFEDSA-N 1 3 356.514 2.792 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000452168525 514225186 /nfs/dbraw/zinc/22/51/86/514225186.db2.gz DSWLOOIDLVSSTL-ICSRJNTNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000452168525 514225194 /nfs/dbraw/zinc/22/51/94/514225194.db2.gz DSWLOOIDLVSSTL-ICSRJNTNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN(C2CC2)C1 ZINC000452172228 514229204 /nfs/dbraw/zinc/22/92/04/514229204.db2.gz UUTKWYZOFRQYNL-SFHVURJKSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449514376 514235788 /nfs/dbraw/zinc/23/57/88/514235788.db2.gz YBODNOUPJOCECU-IFMALSPDSA-N 1 3 357.542 2.715 20 0 FFADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675214 514237144 /nfs/dbraw/zinc/23/71/44/514237144.db2.gz LSIIXXXBQJWRBR-ZIAGYGMSSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675214 514237151 /nfs/dbraw/zinc/23/71/51/514237151.db2.gz LSIIXXXBQJWRBR-ZIAGYGMSSA-N 1 3 357.420 2.896 20 0 FFADHO Cc1ccc(CCC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414685278 514242365 /nfs/dbraw/zinc/24/23/65/514242365.db2.gz YTRLWDWWHFMSNV-OAQYLSRUSA-N 1 3 357.542 2.837 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000417223193 514243637 /nfs/dbraw/zinc/24/36/37/514243637.db2.gz RJLYBBSITNQNJK-IEBWSBKVSA-N 1 3 356.514 2.607 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)C1 ZINC000414702213 514248488 /nfs/dbraw/zinc/24/84/88/514248488.db2.gz HTTGXQBVDPELBH-HNNXBMFYSA-N 1 3 365.468 2.911 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000423853121 514264805 /nfs/dbraw/zinc/26/48/05/514264805.db2.gz SMKFBWNEXQOPFR-UWJYYQICSA-N 1 3 367.493 2.727 20 0 FFADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000414755734 514275808 /nfs/dbraw/zinc/27/58/08/514275808.db2.gz PNGSTNRBYCKXQA-RDTXWAMCSA-N 1 3 351.441 2.689 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291584 514277241 /nfs/dbraw/zinc/27/72/41/514277241.db2.gz AWWGACCNKHUPCK-BBRMVZONSA-N 1 3 374.451 2.982 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)C1 ZINC000414762583 514279446 /nfs/dbraw/zinc/27/94/46/514279446.db2.gz WAXCLYFAMYMAIN-WJMWBRGCSA-N 1 3 355.526 2.842 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)C1 ZINC000414762583 514279452 /nfs/dbraw/zinc/27/94/52/514279452.db2.gz WAXCLYFAMYMAIN-WJMWBRGCSA-N 1 3 355.526 2.842 20 0 FFADHO N[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000417299289 514282662 /nfs/dbraw/zinc/28/26/62/514282662.db2.gz VURJUFWEFVGZAM-NRFANRHFSA-N 1 3 366.509 2.898 20 0 FFADHO CCC1(Cc2ccccc2)CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414768250 514282881 /nfs/dbraw/zinc/28/28/81/514282881.db2.gz UOTIVXRZUKGCAZ-HXUWFJFHSA-N 1 3 357.542 2.919 20 0 FFADHO c1ccc2nc(N3CCCCC3)c(CNCCCN3CC[NH2+]CC3)cc2c1 ZINC000414773945 514285429 /nfs/dbraw/zinc/28/54/29/514285429.db2.gz APZLKRHYDCBRNR-UHFFFAOYSA-N 1 3 367.541 2.610 20 0 FFADHO COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1F ZINC000414787223 514293826 /nfs/dbraw/zinc/29/38/26/514293826.db2.gz VNYCNEVNFZORJS-DOTOQJQBSA-N 1 3 350.478 2.700 20 0 FFADHO COc1ccc(C[C@H](C)C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1F ZINC000414787223 514293832 /nfs/dbraw/zinc/29/38/32/514293832.db2.gz VNYCNEVNFZORJS-DOTOQJQBSA-N 1 3 350.478 2.700 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414817204 514308354 /nfs/dbraw/zinc/30/83/54/514308354.db2.gz AFRKYDULGGNHSP-BRWVUGGUSA-N 1 3 357.498 2.819 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000414836917 514316838 /nfs/dbraw/zinc/31/68/38/514316838.db2.gz VBZXSKZJGXFBLU-OLZOCXBDSA-N 1 3 359.392 2.892 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000414836917 514316846 /nfs/dbraw/zinc/31/68/46/514316846.db2.gz VBZXSKZJGXFBLU-OLZOCXBDSA-N 1 3 359.392 2.892 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417372689 514318647 /nfs/dbraw/zinc/31/86/47/514318647.db2.gz WHALKKVRBSISIK-JKSUJKDBSA-N 1 3 352.548 2.777 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417380061 514322509 /nfs/dbraw/zinc/32/25/09/514322509.db2.gz KCAAWUWKHDQBBU-UHFFFAOYSA-N 1 3 352.548 2.777 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423984815 514322925 /nfs/dbraw/zinc/32/29/25/514322925.db2.gz WOQJXHWMSBDPPQ-RTWAWAEBSA-N 1 3 355.526 2.889 20 0 FFADHO CC(C)C[C@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414856688 514326653 /nfs/dbraw/zinc/32/66/53/514326653.db2.gz ZIGPNJRJJODDAZ-RDTXWAMCSA-N 1 3 360.502 2.715 20 0 FFADHO Fc1ccc(CCN2CCC([NH2+]CCCNCc3cccnc3)CC2)cc1 ZINC000414878436 514336215 /nfs/dbraw/zinc/33/62/15/514336215.db2.gz NLQSILRUEMJHQI-UHFFFAOYSA-N 1 3 370.516 2.997 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414936251 514363698 /nfs/dbraw/zinc/36/36/98/514363698.db2.gz GRWUTXLDSPYHPL-LALPHHSUSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414936251 514363700 /nfs/dbraw/zinc/36/37/00/514363700.db2.gz GRWUTXLDSPYHPL-LALPHHSUSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000420924935 514380230 /nfs/dbraw/zinc/38/02/30/514380230.db2.gz YCJQNWNRSALGQZ-FXAWDEMLSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2CN2C[C@H](CO)C[C@H](C)C2)C1 ZINC000420928493 514382249 /nfs/dbraw/zinc/38/22/49/514382249.db2.gz ANRDYFOPYZOXPH-JVSBHGNQSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2CN2C[C@H](CO)C[C@H](C)C2)C1 ZINC000420928493 514382257 /nfs/dbraw/zinc/38/22/57/514382257.db2.gz ANRDYFOPYZOXPH-JVSBHGNQSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2ccccc2C[N@H+]2C[C@H](CO)C[C@H](C)C2)C1 ZINC000420928493 514382262 /nfs/dbraw/zinc/38/22/62/514382262.db2.gz ANRDYFOPYZOXPH-JVSBHGNQSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2ccccc2C[N@@H+]2C[C@H](CO)C[C@H](C)C2)C1 ZINC000420928493 514382268 /nfs/dbraw/zinc/38/22/68/514382268.db2.gz ANRDYFOPYZOXPH-JVSBHGNQSA-N 1 3 360.542 2.587 20 0 FFADHO Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000414992953 514390689 /nfs/dbraw/zinc/39/06/89/514390689.db2.gz SIRDKOKPRIDKSI-AEFFLSMTSA-N 1 3 369.431 2.750 20 0 FFADHO C[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)N(C)Cc1ccccc1 ZINC000417596285 514430804 /nfs/dbraw/zinc/43/08/04/514430804.db2.gz ZMZZJAXGMSZBPK-SFHVURJKSA-N 1 3 354.498 2.677 20 0 FFADHO C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1c(Cl)cccc1Cl ZINC000415075985 514432293 /nfs/dbraw/zinc/43/22/93/514432293.db2.gz CBJMUVYFSGGJTL-QWHCGFSZSA-N 1 3 358.313 2.884 20 0 FFADHO C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H](C)CN1 ZINC000417617276 514438558 /nfs/dbraw/zinc/43/85/58/514438558.db2.gz FHGDPHBKRZXRMC-ROUUACIJSA-N 1 3 358.530 2.954 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)C[NH2+][C@@H]3CCCC[C@H]3N)ccc2c1 ZINC000424277298 514445959 /nfs/dbraw/zinc/44/59/59/514445959.db2.gz AAMCPAJWHGHBGN-WOJBJXKFSA-N 1 3 355.482 2.666 20 0 FFADHO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000415107870 514446361 /nfs/dbraw/zinc/44/63/61/514446361.db2.gz PNPKZHGLHIPMDF-KGLIPLIRSA-N 1 3 357.420 2.596 20 0 FFADHO CC1(C)[C@H](c2ccccc2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000421027029 514447513 /nfs/dbraw/zinc/44/75/13/514447513.db2.gz UEFDROPFVZAWLO-FQEVSTJZSA-N 1 3 355.526 2.998 20 0 FFADHO CC1(C)[C@@H](c2ccccc2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000421027030 514447535 /nfs/dbraw/zinc/44/75/35/514447535.db2.gz UEFDROPFVZAWLO-HXUWFJFHSA-N 1 3 355.526 2.998 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000415112036 514448491 /nfs/dbraw/zinc/44/84/91/514448491.db2.gz COTWKDBQVTTWKQ-GHTZIAJQSA-N 1 3 369.484 2.896 20 0 FFADHO CC(C)c1ccc(CCNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424301528 514450208 /nfs/dbraw/zinc/45/02/08/514450208.db2.gz XNBWIPXAIDTUND-SFHVURJKSA-N 1 3 357.542 2.933 20 0 FFADHO FC(F)(F)c1ccnc(NCCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415125725 514455582 /nfs/dbraw/zinc/45/55/82/514455582.db2.gz SXGJNJVGCAOKGN-HUUCEWRRSA-N 1 3 365.403 2.990 20 0 FFADHO CCC[C@H](CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415133409 514460987 /nfs/dbraw/zinc/46/09/87/514460987.db2.gz CEJZZSMUPSWZAQ-NRSPTQNISA-N 1 3 370.541 2.790 20 0 FFADHO COC(=O)c1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1 ZINC000415136839 514463088 /nfs/dbraw/zinc/46/30/88/514463088.db2.gz SMBFXRNUAKDXSQ-UHFFFAOYSA-N 1 3 367.493 2.556 20 0 FFADHO CC(=O)Nc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1 ZINC000415138941 514465121 /nfs/dbraw/zinc/46/51/21/514465121.db2.gz VYNPYRSWDGVSDP-UHFFFAOYSA-N 1 3 366.509 2.728 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC3CCC([NH+](C)C)CC3)c2)CC1 ZINC000421100900 514483048 /nfs/dbraw/zinc/48/30/48/514483048.db2.gz RQCHHNYVCVXHGL-UHFFFAOYSA-N 1 3 373.545 2.823 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)N2CCCC2)cc1 ZINC000445557961 514492694 /nfs/dbraw/zinc/49/26/94/514492694.db2.gz OFJPIVPXQDMMBH-LJQANCHMSA-N 1 3 374.529 2.616 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433573448 514519144 /nfs/dbraw/zinc/51/91/44/514519144.db2.gz XNJNPPQLNRABIL-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCC2([NH+](C)C)CCC2)CC1 ZINC000445776569 514519866 /nfs/dbraw/zinc/51/98/66/514519866.db2.gz UIRDGNONEMTSCB-UHFFFAOYSA-N 1 3 350.938 2.666 20 0 FFADHO C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000455470582 514543288 /nfs/dbraw/zinc/54/32/88/514543288.db2.gz HPUFWAUSPPEJEF-XSLAUPDRSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000455470582 514543293 /nfs/dbraw/zinc/54/32/93/514543293.db2.gz HPUFWAUSPPEJEF-XSLAUPDRSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000466036727 514543962 /nfs/dbraw/zinc/54/39/62/514543962.db2.gz PIAGBAATZUDDJA-GDBMZVCRSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000466036727 514543974 /nfs/dbraw/zinc/54/39/74/514543974.db2.gz PIAGBAATZUDDJA-GDBMZVCRSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000466033875 514545091 /nfs/dbraw/zinc/54/50/91/514545091.db2.gz DDPSOIXIBOHMRR-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000466033875 514545092 /nfs/dbraw/zinc/54/50/92/514545092.db2.gz DDPSOIXIBOHMRR-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453111587 514548312 /nfs/dbraw/zinc/54/83/12/514548312.db2.gz OZFJPWKZLWZEQL-CWKRKGSWSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453111587 514548319 /nfs/dbraw/zinc/54/83/19/514548319.db2.gz OZFJPWKZLWZEQL-CWKRKGSWSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453111587 514548327 /nfs/dbraw/zinc/54/83/27/514548327.db2.gz OZFJPWKZLWZEQL-CWKRKGSWSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453119119 514549383 /nfs/dbraw/zinc/54/93/83/514549383.db2.gz BDOHPFGCVZVBFY-KRWDZBQOSA-N 1 3 355.530 2.764 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453137035 514554995 /nfs/dbraw/zinc/55/49/95/514554995.db2.gz CECQJHOXLHTULB-DOIPELPJSA-N 1 3 370.541 2.823 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453137035 514554998 /nfs/dbraw/zinc/55/49/98/514554998.db2.gz CECQJHOXLHTULB-DOIPELPJSA-N 1 3 370.541 2.823 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475109102 514560312 /nfs/dbraw/zinc/56/03/12/514560312.db2.gz KSPCTNDVRFMJOQ-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475138807 514569507 /nfs/dbraw/zinc/56/95/07/514569507.db2.gz WHFHLKVWXPLFTB-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475138807 514569511 /nfs/dbraw/zinc/56/95/11/514569511.db2.gz WHFHLKVWXPLFTB-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000466214076 514578561 /nfs/dbraw/zinc/57/85/61/514578561.db2.gz HJFJYAXDFIUMLA-OXJNMPFZSA-N 1 3 370.541 2.605 20 0 FFADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000466214076 514578571 /nfs/dbraw/zinc/57/85/71/514578571.db2.gz HJFJYAXDFIUMLA-OXJNMPFZSA-N 1 3 370.541 2.605 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccsc1 ZINC000466231159 514583790 /nfs/dbraw/zinc/58/37/90/514583790.db2.gz OTTUEZFQOPFTGO-FHLIZLRMSA-N 1 3 364.559 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccsc1 ZINC000466231159 514583795 /nfs/dbraw/zinc/58/37/95/514583795.db2.gz OTTUEZFQOPFTGO-FHLIZLRMSA-N 1 3 364.559 2.913 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000458158055 514589482 /nfs/dbraw/zinc/58/94/82/514589482.db2.gz DHACHHDCLSVXQD-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000458158055 514589490 /nfs/dbraw/zinc/58/94/90/514589490.db2.gz DHACHHDCLSVXQD-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(F)c1F ZINC000455562253 514595518 /nfs/dbraw/zinc/59/55/18/514595518.db2.gz GZNAQNOANSAAPC-AWEZNQCLSA-N 1 3 372.435 2.984 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(F)c1F ZINC000455562253 514595526 /nfs/dbraw/zinc/59/55/26/514595526.db2.gz GZNAQNOANSAAPC-AWEZNQCLSA-N 1 3 372.435 2.984 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461427041 514612217 /nfs/dbraw/zinc/61/22/17/514612217.db2.gz GDPGBJBKBKEQLD-DYXWJJEUSA-N 1 3 353.510 2.594 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461427041 514612228 /nfs/dbraw/zinc/61/22/28/514612228.db2.gz GDPGBJBKBKEQLD-DYXWJJEUSA-N 1 3 353.510 2.594 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000453402127 514621731 /nfs/dbraw/zinc/62/17/31/514621731.db2.gz PRJPBKVSFWUECX-QRFRQXIXSA-N 1 3 372.513 2.931 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000488913623 514633501 /nfs/dbraw/zinc/63/35/01/514633501.db2.gz PPEVDFFTNKYGCY-NRFANRHFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000488913623 514633511 /nfs/dbraw/zinc/63/35/11/514633511.db2.gz PPEVDFFTNKYGCY-NRFANRHFSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@H+](CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000455615745 514636604 /nfs/dbraw/zinc/63/66/04/514636604.db2.gz OHEPHXMWZICKIG-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+](CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000455615745 514636615 /nfs/dbraw/zinc/63/66/15/514636615.db2.gz OHEPHXMWZICKIG-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000466427127 514644342 /nfs/dbraw/zinc/64/43/42/514644342.db2.gz VLWFVFPSZVWHTF-UZLBHIALSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000466420715 514644501 /nfs/dbraw/zinc/64/45/01/514644501.db2.gz FNIUYSJQCPRAID-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502428613 514648441 /nfs/dbraw/zinc/64/84/41/514648441.db2.gz DXGUNXOICXYPBW-CTNGQTDRSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488981363 514659751 /nfs/dbraw/zinc/65/97/51/514659751.db2.gz MZCLLNTVGFSKSX-BZSNNMDCSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488981363 514659763 /nfs/dbraw/zinc/65/97/63/514659763.db2.gz MZCLLNTVGFSKSX-BZSNNMDCSA-N 1 3 350.551 2.765 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000484466713 514660609 /nfs/dbraw/zinc/66/06/09/514660609.db2.gz MUIJPORNNXIBKP-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000484466713 514660617 /nfs/dbraw/zinc/66/06/17/514660617.db2.gz MUIJPORNNXIBKP-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000466517853 514671039 /nfs/dbraw/zinc/67/10/39/514671039.db2.gz KRHFVXQNAKOWMH-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000466542055 514682038 /nfs/dbraw/zinc/68/20/38/514682038.db2.gz LSAQEYBGTMVIFS-HLIPFELVSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000466542055 514682048 /nfs/dbraw/zinc/68/20/48/514682048.db2.gz LSAQEYBGTMVIFS-HLIPFELVSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000466569701 514695943 /nfs/dbraw/zinc/69/59/43/514695943.db2.gz IPUBCKORQWHSHT-TXPKVOOTSA-N 1 3 358.530 2.898 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000489251242 514771366 /nfs/dbraw/zinc/77/13/66/514771366.db2.gz KJOJCMDAIACDNX-DYXWJJEUSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000458419557 514781951 /nfs/dbraw/zinc/78/19/51/514781951.db2.gz QOSYBPUQWBQVPM-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000458419557 514781961 /nfs/dbraw/zinc/78/19/61/514781961.db2.gz QOSYBPUQWBQVPM-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CCN(C4CC4)C3)CC2)CC1 ZINC000502812675 514790678 /nfs/dbraw/zinc/79/06/78/514790678.db2.gz TWHQXAYNZGCSDK-AFMYVXGZSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000502823741 514794595 /nfs/dbraw/zinc/79/45/95/514794595.db2.gz BPFZKYPSTYAKST-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000502823741 514794602 /nfs/dbraw/zinc/79/46/02/514794602.db2.gz BPFZKYPSTYAKST-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2)CC1 ZINC000462012578 514830023 /nfs/dbraw/zinc/83/00/23/514830023.db2.gz BUWWENMTFYEOCD-LJQANCHMSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)cc2)CC1 ZINC000462012578 514830034 /nfs/dbraw/zinc/83/00/34/514830034.db2.gz BUWWENMTFYEOCD-LJQANCHMSA-N 1 3 370.541 2.575 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN(C[C@H](C)O)C[C@@H]3C)c2cc1OCC ZINC000480183036 514868882 /nfs/dbraw/zinc/86/88/82/514868882.db2.gz POLYFDDJGIQWKL-HOTGVXAUSA-N 1 3 373.497 2.924 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000458560764 514904247 /nfs/dbraw/zinc/90/42/47/514904247.db2.gz QOPBFCZFFIEMPQ-HOJAQTOUSA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000458560764 514904257 /nfs/dbraw/zinc/90/42/57/514904257.db2.gz QOPBFCZFFIEMPQ-HOJAQTOUSA-N 1 3 358.530 2.774 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1)C1CC1 ZINC000480276801 514906006 /nfs/dbraw/zinc/90/60/06/514906006.db2.gz VENZCBVRRASKDF-FQEVSTJZSA-N 1 3 361.555 2.838 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1)C1CC1 ZINC000480276801 514906014 /nfs/dbraw/zinc/90/60/14/514906014.db2.gz VENZCBVRRASKDF-FQEVSTJZSA-N 1 3 361.555 2.838 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1)N(C)C ZINC000508848091 514917953 /nfs/dbraw/zinc/91/79/53/514917953.db2.gz BMXSZHPLBCVZEK-YLJYHZDGSA-N 1 3 360.546 2.969 20 0 FFADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000503149340 514934745 /nfs/dbraw/zinc/93/47/45/514934745.db2.gz BMIGOBRTIXVOMW-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000503149340 514934759 /nfs/dbraw/zinc/93/47/59/514934759.db2.gz BMIGOBRTIXVOMW-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000462221769 514947511 /nfs/dbraw/zinc/94/75/11/514947511.db2.gz DFSOULSLVLYXSM-SFHLNBCPSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCC(F)(F)CC1 ZINC000508967857 514969660 /nfs/dbraw/zinc/96/96/60/514969660.db2.gz JWDSSLUMOZXUSH-QGZVFWFLSA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCC(F)(F)CC1 ZINC000508967857 514969669 /nfs/dbraw/zinc/96/96/69/514969669.db2.gz JWDSSLUMOZXUSH-QGZVFWFLSA-N 1 3 374.520 2.869 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000458660551 514995800 /nfs/dbraw/zinc/99/58/00/514995800.db2.gz OLLYJSNJQRXQES-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO C[C@@H](CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000489978846 515056156 /nfs/dbraw/zinc/05/61/56/515056156.db2.gz GFBPSTZIUUYOPI-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000456329555 515098505 /nfs/dbraw/zinc/09/85/05/515098505.db2.gz IOQJAVGEUGHVLM-SFHVURJKSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CC[C@@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000509329266 515126504 /nfs/dbraw/zinc/12/65/04/515126504.db2.gz XXAYPZHIOLXVPY-IFMALSPDSA-N 1 3 358.574 2.861 20 0 FFADHO CCN1CC[C@@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000509329266 515126513 /nfs/dbraw/zinc/12/65/13/515126513.db2.gz XXAYPZHIOLXVPY-IFMALSPDSA-N 1 3 358.574 2.861 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)N1CCC[C@H]1CN1CCCCC1 ZINC000458842557 515136714 /nfs/dbraw/zinc/13/67/14/515136714.db2.gz GUYBBIBWFQUUHN-IBGZPJMESA-N 1 3 350.551 2.912 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000472212623 515173297 /nfs/dbraw/zinc/17/32/97/515173297.db2.gz WVBMNWJDCVMTIZ-UHFFFAOYSA-N 1 3 360.546 2.679 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000472212623 515173307 /nfs/dbraw/zinc/17/33/07/515173307.db2.gz WVBMNWJDCVMTIZ-UHFFFAOYSA-N 1 3 360.546 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000490357742 515186599 /nfs/dbraw/zinc/18/65/99/515186599.db2.gz ATSFZSLIVBPONL-WMZOPIPTSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[N@H+](C2CCC2)C1 ZINC000490357742 515186606 /nfs/dbraw/zinc/18/66/06/515186606.db2.gz ATSFZSLIVBPONL-WMZOPIPTSA-N 1 3 350.551 2.623 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000462680535 515187006 /nfs/dbraw/zinc/18/70/06/515187006.db2.gz JODLVYFSIPPNRI-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2ccc(F)cc2)C1 ZINC000472258358 515187169 /nfs/dbraw/zinc/18/71/69/515187169.db2.gz JVAOMBIYKZVAKZ-GOSISDBHSA-N 1 3 351.466 2.587 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000481072574 515196963 /nfs/dbraw/zinc/19/69/63/515196963.db2.gz JTRDLHXLQPBEPT-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000481072574 515196966 /nfs/dbraw/zinc/19/69/66/515196966.db2.gz JTRDLHXLQPBEPT-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000468018052 515198759 /nfs/dbraw/zinc/19/87/59/515198759.db2.gz XJOFQLFZIVNBGE-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000468018052 515198766 /nfs/dbraw/zinc/19/87/66/515198766.db2.gz XJOFQLFZIVNBGE-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)[C@H](C)C1 ZINC000476800410 515199850 /nfs/dbraw/zinc/19/98/50/515199850.db2.gz DHFHOTGQICFNFB-APWZRJJASA-N 1 3 362.518 2.821 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)[C@H](C)C1 ZINC000476800410 515199855 /nfs/dbraw/zinc/19/98/55/515199855.db2.gz DHFHOTGQICFNFB-APWZRJJASA-N 1 3 362.518 2.821 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000481107914 515209206 /nfs/dbraw/zinc/20/92/06/515209206.db2.gz NAJLGICHTKPDJV-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000472353201 515241070 /nfs/dbraw/zinc/24/10/70/515241070.db2.gz YUXXNTRCAJEGBG-QUCCMNQESA-N 1 3 357.542 2.929 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccco1 ZINC000509609216 515254964 /nfs/dbraw/zinc/25/49/64/515254964.db2.gz GBQJEIYNFHPOQY-KSZLIROESA-N 1 3 362.518 2.836 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000504289599 515261733 /nfs/dbraw/zinc/26/17/33/515261733.db2.gz NLWKRWLAGYXMFJ-AABGKKOBSA-N 1 3 358.530 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000504289599 515261739 /nfs/dbraw/zinc/26/17/39/515261739.db2.gz NLWKRWLAGYXMFJ-AABGKKOBSA-N 1 3 358.530 2.778 20 0 FFADHO COc1ccc(C(=O)CCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000509643508 515269151 /nfs/dbraw/zinc/26/91/51/515269151.db2.gz NXEDSASNSKWJNP-UHFFFAOYSA-N 1 3 360.498 2.845 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000472455214 515276219 /nfs/dbraw/zinc/27/62/19/515276219.db2.gz JMKGXBMAHBVNOI-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504339582 515280013 /nfs/dbraw/zinc/28/00/13/515280013.db2.gz VBFATNRDZUCXGR-PMACEKPBSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504339582 515280027 /nfs/dbraw/zinc/28/00/27/515280027.db2.gz VBFATNRDZUCXGR-PMACEKPBSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000486084184 515327090 /nfs/dbraw/zinc/32/70/90/515327090.db2.gz BLMBBJXWQTWTFK-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000486099638 515333093 /nfs/dbraw/zinc/33/30/93/515333093.db2.gz KDHYXZVEUJNSGG-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000463014023 515335056 /nfs/dbraw/zinc/33/50/56/515335056.db2.gz QGMQRVYAJNKVGT-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C3CC3)C2)CC1 ZINC000491300320 515410077 /nfs/dbraw/zinc/41/00/77/515410077.db2.gz HODDSHJDCVSNPK-FQEVSTJZSA-N 1 3 355.526 2.808 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000468573759 515419906 /nfs/dbraw/zinc/41/99/06/515419906.db2.gz ABGUSWPMOZBZFI-FQEVSTJZSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459285754 515447996 /nfs/dbraw/zinc/44/79/96/515447996.db2.gz FJHNLEFOOGUJTC-FPOVZHCZSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459285754 515448008 /nfs/dbraw/zinc/44/80/08/515448008.db2.gz FJHNLEFOOGUJTC-FPOVZHCZSA-N 1 3 372.557 2.882 20 0 FFADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505180220 515468122 /nfs/dbraw/zinc/46/81/22/515468122.db2.gz QXKRNEARHILKSY-INIZCTEOSA-N 1 3 353.457 2.600 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(C2CC2)nc1 ZINC000459349580 515491549 /nfs/dbraw/zinc/49/15/49/515491549.db2.gz XTKKOGPXNUFYBS-UHFFFAOYSA-N 1 3 371.573 2.982 20 0 FFADHO CCC(CC)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCOCC1 ZINC000459370269 515505097 /nfs/dbraw/zinc/50/50/97/515505097.db2.gz RFASATGLDNEHII-OAQYLSRUSA-N 1 3 360.546 2.777 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N2CCCC23CCN(C)CC3)([NH+](C)C)C1 ZINC000510347163 515510522 /nfs/dbraw/zinc/51/05/22/515510522.db2.gz QRQVEVCQIBREBI-XLIONFOSSA-N 1 3 350.551 2.767 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC(C)(C)C3CC3)CC2)CC1 ZINC000454466796 515511471 /nfs/dbraw/zinc/51/14/71/515511471.db2.gz YMQADTDDRYJAES-UHFFFAOYSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@]1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCCC[NH2+]1 ZINC000510469006 515547590 /nfs/dbraw/zinc/54/75/90/515547590.db2.gz BRDPUMOPWDGLJV-OAQYLSRUSA-N 1 3 356.514 2.689 20 0 FFADHO C[C@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1=CCN(C)CC1 ZINC000510547881 515582063 /nfs/dbraw/zinc/58/20/63/515582063.db2.gz KSDYRXFBLJZARX-BBWFWOEESA-N 1 3 350.551 2.693 20 0 FFADHO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1=CCN(C)CC1 ZINC000510547881 515582072 /nfs/dbraw/zinc/58/20/72/515582072.db2.gz KSDYRXFBLJZARX-BBWFWOEESA-N 1 3 350.551 2.693 20 0 FFADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2ccccc2C1 ZINC000493147886 515601582 /nfs/dbraw/zinc/60/15/82/515601582.db2.gz LINWVJIEZQNOQH-PGRDOPGGSA-N 1 3 371.525 2.570 20 0 FFADHO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000473421976 515612704 /nfs/dbraw/zinc/61/27/04/515612704.db2.gz SQYXESRHKGZOFT-IKGGRYGDSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000454643759 515633101 /nfs/dbraw/zinc/63/31/01/515633101.db2.gz HBCGKSOUDBZYGB-QZTJIDSGSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000454643759 515633107 /nfs/dbraw/zinc/63/31/07/515633107.db2.gz HBCGKSOUDBZYGB-QZTJIDSGSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000505691733 515634739 /nfs/dbraw/zinc/63/47/39/515634739.db2.gz KAWQMANFYCOIFF-XUVXKRRUSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000505691733 515634745 /nfs/dbraw/zinc/63/47/45/515634745.db2.gz KAWQMANFYCOIFF-XUVXKRRUSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000505692330 515634802 /nfs/dbraw/zinc/63/48/02/515634802.db2.gz SQGYWOONUDEFEW-BRWVUGGUSA-N 1 3 362.543 2.811 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000505692330 515634807 /nfs/dbraw/zinc/63/48/07/515634807.db2.gz SQGYWOONUDEFEW-BRWVUGGUSA-N 1 3 362.543 2.811 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccccc4OC3)cc2)CC1 ZINC000493742103 515660771 /nfs/dbraw/zinc/66/07/71/515660771.db2.gz YOGIOQBZLOCCGG-QFIPXVFZSA-N 1 3 365.521 2.917 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@H](C)N3CCCCCC3)CCCC2)CC1 ZINC000510850563 515687464 /nfs/dbraw/zinc/68/74/64/515687464.db2.gz KDMIZZTZLFVDTE-SFHVURJKSA-N 1 3 365.562 2.791 20 0 FFADHO COc1ccc2oc([C@@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)c(C)c2c1 ZINC000482552744 515718612 /nfs/dbraw/zinc/71/86/12/515718612.db2.gz ITEVTFKQKVKWPW-HZPDHXFCSA-N 1 3 373.497 2.988 20 0 FFADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459675856 515739291 /nfs/dbraw/zinc/73/92/91/515739291.db2.gz NHGBOTMEOPAZDI-NHCUHLMSSA-N 1 3 355.526 2.998 20 0 FFADHO C[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000511250953 515842371 /nfs/dbraw/zinc/84/23/71/515842371.db2.gz HTOBXAVLDNFMTA-KRWDZBQOSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000511250953 515842382 /nfs/dbraw/zinc/84/23/82/515842382.db2.gz HTOBXAVLDNFMTA-KRWDZBQOSA-N 1 3 358.530 2.847 20 0 FFADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474025246 515848799 /nfs/dbraw/zinc/84/87/99/515848799.db2.gz STPUIRLNGHTUSO-HXUWFJFHSA-N 1 3 373.541 2.950 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000511291586 515854824 /nfs/dbraw/zinc/85/48/24/515854824.db2.gz VLHPHEMBQDVUBP-NZSAHSFTSA-N 1 3 350.551 2.837 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000487534760 515895052 /nfs/dbraw/zinc/89/50/52/515895052.db2.gz HJDXYRUOXKZJJW-OKZBNKHCSA-N 1 3 350.551 2.623 20 0 FFADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000494618935 515899126 /nfs/dbraw/zinc/89/91/26/515899126.db2.gz GEODZVACLQULMM-UTKZUKDTSA-N 1 3 369.509 2.844 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)N(C)C)cc1 ZINC000457476038 515901045 /nfs/dbraw/zinc/90/10/45/515901045.db2.gz KDDGBWQVHHPIIT-UNMCSNQZSA-N 1 3 372.557 2.979 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)N(C)C)cc1 ZINC000457476038 515901050 /nfs/dbraw/zinc/90/10/50/515901050.db2.gz KDDGBWQVHHPIIT-UNMCSNQZSA-N 1 3 372.557 2.979 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483086154 515916889 /nfs/dbraw/zinc/91/68/89/515916889.db2.gz HNGXVAASBZSCAZ-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483086154 515916896 /nfs/dbraw/zinc/91/68/96/515916896.db2.gz HNGXVAASBZSCAZ-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCN1C ZINC000487639691 515932089 /nfs/dbraw/zinc/93/20/89/515932089.db2.gz LXFKNBSURIELKX-SJORKVTESA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C[C@@H](c2ccccc2)C1 ZINC000483142529 515948289 /nfs/dbraw/zinc/94/82/89/515948289.db2.gz UXVCLRSORZXGTI-PMVMPFDFSA-N 1 3 373.585 2.939 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000483188982 515973899 /nfs/dbraw/zinc/97/38/99/515973899.db2.gz YINGOAHXIIDIIP-AEFFLSMTSA-N 1 3 350.551 2.813 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000511659577 515985863 /nfs/dbraw/zinc/98/58/63/515985863.db2.gz USXONECKOBFEKC-FQEVSTJZSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)COc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000469853799 515998397 /nfs/dbraw/zinc/99/83/97/515998397.db2.gz UUUYRZFODDCXJU-PZJWPPBQSA-N 1 3 373.541 2.802 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000487842770 516003577 /nfs/dbraw/zinc/00/35/77/516003577.db2.gz UGWINFUQYFLONR-KSZLIROESA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000487842770 516003587 /nfs/dbraw/zinc/00/35/87/516003587.db2.gz UGWINFUQYFLONR-KSZLIROESA-N 1 3 350.551 2.765 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cc3ccccc3s2)C1)[C@H]1CCC[NH2+]1 ZINC000469865824 516005109 /nfs/dbraw/zinc/00/51/09/516005109.db2.gz ZXGCKPMLJAKLQO-MAUKXSAKSA-N 1 3 357.523 2.982 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487913448 516031286 /nfs/dbraw/zinc/03/12/86/516031286.db2.gz JKXKTTWTKBEGOQ-ZJSJBZJDSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487913448 516031288 /nfs/dbraw/zinc/03/12/88/516031288.db2.gz JKXKTTWTKBEGOQ-ZJSJBZJDSA-N 1 3 370.541 2.679 20 0 FFADHO C(CN1CCC[C@H]([C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000487921943 516033186 /nfs/dbraw/zinc/03/31/86/516033186.db2.gz WYCXJNCXMKQBCV-XSDIEEQYSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@H]([C@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000487921943 516033194 /nfs/dbraw/zinc/03/31/94/516033194.db2.gz WYCXJNCXMKQBCV-XSDIEEQYSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000487921943 516033201 /nfs/dbraw/zinc/03/32/01/516033201.db2.gz WYCXJNCXMKQBCV-XSDIEEQYSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000487921943 516033212 /nfs/dbraw/zinc/03/32/12/516033212.db2.gz WYCXJNCXMKQBCV-XSDIEEQYSA-N 1 3 350.547 2.874 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000460138796 516042377 /nfs/dbraw/zinc/04/23/77/516042377.db2.gz YGSIDRIZTNOVDO-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000460138796 516042382 /nfs/dbraw/zinc/04/23/82/516042382.db2.gz YGSIDRIZTNOVDO-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000460138795 516043344 /nfs/dbraw/zinc/04/33/44/516043344.db2.gz YGSIDRIZTNOVDO-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000460138795 516043354 /nfs/dbraw/zinc/04/33/54/516043354.db2.gz YGSIDRIZTNOVDO-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCc2ccccc2)CC1 ZINC000469968645 516053043 /nfs/dbraw/zinc/05/30/43/516053043.db2.gz DCSCXYFJMVBHGM-UHFFFAOYSA-N 1 3 353.510 2.992 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@@H]1C ZINC000474465913 516056869 /nfs/dbraw/zinc/05/68/69/516056869.db2.gz ARGAVXFAAZETHE-QMMLZNLJSA-N 1 3 373.541 2.501 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)C2)C1 ZINC000457682874 516066638 /nfs/dbraw/zinc/06/66/38/516066638.db2.gz CPYGQTOXVMRJIO-AZUAARDMSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCN(C2CC2)C1 ZINC000457697051 516076655 /nfs/dbraw/zinc/07/66/55/516076655.db2.gz QFOBBMHNVVKPDY-VQIMIIECSA-N 1 3 350.551 2.623 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1 ZINC000479185655 516095489 /nfs/dbraw/zinc/09/54/89/516095489.db2.gz LDQSNKZREVCATK-DLBZAZTESA-N 1 3 361.486 2.883 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000483492060 516106399 /nfs/dbraw/zinc/10/63/99/516106399.db2.gz NVLPYXZGWFZOEK-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000483492060 516106418 /nfs/dbraw/zinc/10/64/18/516106418.db2.gz NVLPYXZGWFZOEK-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479206739 516109731 /nfs/dbraw/zinc/10/97/31/516109731.db2.gz ICLHAXWVDFNUOV-NQIIRXRSSA-N 1 3 369.484 2.849 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479206739 516109741 /nfs/dbraw/zinc/10/97/41/516109741.db2.gz ICLHAXWVDFNUOV-NQIIRXRSSA-N 1 3 369.484 2.849 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000474600471 516114285 /nfs/dbraw/zinc/11/42/85/516114285.db2.gz NUXWJSXGZRVUJD-IAGOWNOFSA-N 1 3 360.477 2.990 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457743897 516115622 /nfs/dbraw/zinc/11/56/22/516115622.db2.gz REYHMVGZTRIFQJ-UYAOXDASSA-N 1 3 350.551 2.626 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457743897 516115626 /nfs/dbraw/zinc/11/56/26/516115626.db2.gz REYHMVGZTRIFQJ-UYAOXDASSA-N 1 3 350.551 2.626 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000457748277 516118261 /nfs/dbraw/zinc/11/82/61/516118261.db2.gz MFIUJXOABMPZAQ-UNMCSNQZSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000457748277 516118269 /nfs/dbraw/zinc/11/82/69/516118269.db2.gz MFIUJXOABMPZAQ-UNMCSNQZSA-N 1 3 370.541 2.951 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000470122081 516128869 /nfs/dbraw/zinc/12/88/69/516128869.db2.gz LMZNTOTUWIJOAE-GOSISDBHSA-N 1 3 353.551 2.600 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000501512165 516135014 /nfs/dbraw/zinc/13/50/14/516135014.db2.gz IHMMDACJBBVCPX-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457804751 516159724 /nfs/dbraw/zinc/15/97/24/516159724.db2.gz UNDGGTZSYRDXEH-WOJBJXKFSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457804751 516159730 /nfs/dbraw/zinc/15/97/30/516159730.db2.gz UNDGGTZSYRDXEH-WOJBJXKFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000474707226 516164899 /nfs/dbraw/zinc/16/48/99/516164899.db2.gz IPSNTAYLGRIYME-OWCLPIDISA-N 1 3 374.554 2.965 20 0 FFADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000474707226 516164909 /nfs/dbraw/zinc/16/49/09/516164909.db2.gz IPSNTAYLGRIYME-OWCLPIDISA-N 1 3 374.554 2.965 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000495455767 516168433 /nfs/dbraw/zinc/16/84/33/516168433.db2.gz RRINOCXEWYXTCF-JTDSTZFVSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000495455767 516168438 /nfs/dbraw/zinc/16/84/38/516168438.db2.gz RRINOCXEWYXTCF-JTDSTZFVSA-N 1 3 364.509 2.991 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000483691968 516174902 /nfs/dbraw/zinc/17/49/02/516174902.db2.gz VJFXELNKAAEKIV-QHAWAJNXSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000483691968 516174913 /nfs/dbraw/zinc/17/49/13/516174913.db2.gz VJFXELNKAAEKIV-QHAWAJNXSA-N 1 3 370.541 2.633 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)C1CC1 ZINC000483692380 516175350 /nfs/dbraw/zinc/17/53/50/516175350.db2.gz XAAZQPGTQFVGEI-HXUWFJFHSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000507335927 516176197 /nfs/dbraw/zinc/17/61/97/516176197.db2.gz YHCBLMVRHVANEO-YLJYHZDGSA-N 1 3 358.530 2.805 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000470294455 516197852 /nfs/dbraw/zinc/19/78/52/516197852.db2.gz BYQZSMMQFUDLHM-WOJBJXKFSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1)C1CC1 ZINC000495713634 516203902 /nfs/dbraw/zinc/20/39/02/516203902.db2.gz RTLMVZFWZMFRGQ-RTBURBONSA-N 1 3 361.555 2.789 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1)C1CC1 ZINC000495713634 516203906 /nfs/dbraw/zinc/20/39/06/516203906.db2.gz RTLMVZFWZMFRGQ-RTBURBONSA-N 1 3 361.555 2.789 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000465676950 516227655 /nfs/dbraw/zinc/22/76/55/516227655.db2.gz VSVDSYYKNAYTAD-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000465676950 516227659 /nfs/dbraw/zinc/22/76/59/516227659.db2.gz VSVDSYYKNAYTAD-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[NH+](C)CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311648 516234439 /nfs/dbraw/zinc/23/44/39/516234439.db2.gz CMQKKKRVUCMFDC-KRWDZBQOSA-N 1 3 353.457 2.602 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)c(F)c1 ZINC000465719583 516239360 /nfs/dbraw/zinc/23/93/60/516239360.db2.gz NHBVCZVBRWYGSN-MRXNPFEDSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)c(F)c1 ZINC000465719583 516239364 /nfs/dbraw/zinc/23/93/64/516239364.db2.gz NHBVCZVBRWYGSN-MRXNPFEDSA-N 1 3 368.472 2.522 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457937509 516240628 /nfs/dbraw/zinc/24/06/28/516240628.db2.gz SULPFXLDQOOPHE-PKOBYXMFSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)CC1 ZINC000465813787 516264687 /nfs/dbraw/zinc/26/46/87/516264687.db2.gz OMMVDGWGQWMZGH-ZIFCJYIRSA-N 1 3 362.562 2.813 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000465826821 516268044 /nfs/dbraw/zinc/26/80/44/516268044.db2.gz RHORWFJMLFPKKV-WOJBJXKFSA-N 1 3 358.530 2.915 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000465826821 516268051 /nfs/dbraw/zinc/26/80/51/516268051.db2.gz RHORWFJMLFPKKV-WOJBJXKFSA-N 1 3 358.530 2.915 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000488793701 516310305 /nfs/dbraw/zinc/31/03/05/516310305.db2.gz ITSAHFFTVJAPQP-MSOLQXFVSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000488793701 516310307 /nfs/dbraw/zinc/31/03/07/516310307.db2.gz ITSAHFFTVJAPQP-MSOLQXFVSA-N 1 3 350.551 2.623 20 0 FFADHO OCC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000461084438 516314773 /nfs/dbraw/zinc/31/47/73/516314773.db2.gz MJFHRSRMDUMGOT-MYGLTJDJSA-N 1 3 358.526 2.664 20 0 FFADHO CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000512637086 516316917 /nfs/dbraw/zinc/31/69/17/516316917.db2.gz RHVNYDCZFQVCPL-MXEMCNAFSA-N 1 3 355.526 2.886 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000497388026 516318061 /nfs/dbraw/zinc/31/80/61/516318061.db2.gz SULUAEJSTNOFHB-QGZVFWFLSA-N 1 3 362.518 2.965 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000512673401 516320338 /nfs/dbraw/zinc/32/03/38/516320338.db2.gz QKQUBBQORMNNHM-LNRXMEIDSA-N 1 3 358.526 2.664 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000512673401 516320340 /nfs/dbraw/zinc/32/03/40/516320340.db2.gz QKQUBBQORMNNHM-LNRXMEIDSA-N 1 3 358.526 2.664 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000512673401 516320342 /nfs/dbraw/zinc/32/03/42/516320342.db2.gz QKQUBBQORMNNHM-LNRXMEIDSA-N 1 3 358.526 2.664 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000535435383 516355288 /nfs/dbraw/zinc/35/52/88/516355288.db2.gz JTZICXMGFXKQNK-OALUTQOASA-N 1 3 358.530 2.948 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000535435383 516355297 /nfs/dbraw/zinc/35/52/97/516355297.db2.gz JTZICXMGFXKQNK-OALUTQOASA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C[NH+](C)C ZINC000561092846 516373659 /nfs/dbraw/zinc/37/36/59/516373659.db2.gz LCPGSUYPGGGDMI-QAPCUYQASA-N 1 3 371.447 2.755 20 0 FFADHO CN(CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1cc[nH+]cc1 ZINC000543715500 516386821 /nfs/dbraw/zinc/38/68/21/516386821.db2.gz QHKQKRXWHRPREO-FQEVSTJZSA-N 1 3 352.482 2.861 20 0 FFADHO CC[N@H+](CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000517662459 516403680 /nfs/dbraw/zinc/40/36/80/516403680.db2.gz URJWOIVMDLEQJG-GOSISDBHSA-N 1 3 357.542 2.930 20 0 FFADHO CC[N@@H+](CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000517662459 516403684 /nfs/dbraw/zinc/40/36/84/516403684.db2.gz URJWOIVMDLEQJG-GOSISDBHSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000540076319 516431225 /nfs/dbraw/zinc/43/12/25/516431225.db2.gz YDCNFQLZWCISQN-QZTJIDSGSA-N 1 3 373.545 2.860 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517739364 516433565 /nfs/dbraw/zinc/43/35/65/516433565.db2.gz OGMLZFDEUCWKSG-NHCUHLMSSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000561186569 516435875 /nfs/dbraw/zinc/43/58/75/516435875.db2.gz WKGINCSNHAMXBS-CGBFIWBNSA-N 1 3 358.530 2.571 20 0 FFADHO NCc1cc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc(C(F)(F)F)c1 ZINC000561194893 516441500 /nfs/dbraw/zinc/44/15/00/516441500.db2.gz FXGPQGAVEIHAQI-OAHLLOKOSA-N 1 3 367.375 2.537 20 0 FFADHO NC[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc2ccccc2c1 ZINC000561215077 516456678 /nfs/dbraw/zinc/45/66/78/516456678.db2.gz YUUZDEBNQQPEBR-FPOVZHCZSA-N 1 3 352.482 2.625 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000517941831 516500294 /nfs/dbraw/zinc/50/02/94/516500294.db2.gz CJZJCFLSPCSWGG-IBGZPJMESA-N 1 3 355.457 2.813 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000561315930 516517631 /nfs/dbraw/zinc/51/76/31/516517631.db2.gz LSEJQWJQJPXMJB-SFHVURJKSA-N 1 3 365.562 2.645 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)NCC2=CCN(C)CC2)CC1 ZINC000561398660 516562891 /nfs/dbraw/zinc/56/28/91/516562891.db2.gz ARWCIXKPWMFLCB-UHFFFAOYSA-N 1 3 370.541 2.980 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535938236 516564513 /nfs/dbraw/zinc/56/45/13/516564513.db2.gz SORDTLAFLFCPPM-FQEVSTJZSA-N 1 3 358.530 2.622 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000558057289 516573470 /nfs/dbraw/zinc/57/34/70/516573470.db2.gz NZJAGRDSHYLPEM-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000558057289 516573476 /nfs/dbraw/zinc/57/34/76/516573476.db2.gz NZJAGRDSHYLPEM-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000523876421 516601142 /nfs/dbraw/zinc/60/11/42/516601142.db2.gz HBWQEYAOYLQCTF-INDMIFKZSA-N 1 3 352.567 2.772 20 0 FFADHO CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H]1n1cccn1 ZINC000551320583 516657760 /nfs/dbraw/zinc/65/77/60/516657760.db2.gz SSBKJTQHONWFFG-RCOXNQKVSA-N 1 3 372.513 2.893 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000558365416 516707304 /nfs/dbraw/zinc/70/73/04/516707304.db2.gz XEHRUZOKXAKALE-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524446589 516721872 /nfs/dbraw/zinc/72/18/72/516721872.db2.gz PYURRBZYLONXLL-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524446589 516721879 /nfs/dbraw/zinc/72/18/79/516721879.db2.gz PYURRBZYLONXLL-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000513742038 516737208 /nfs/dbraw/zinc/73/72/08/516737208.db2.gz SUKYCSUDQSCEQU-OAQYLSRUSA-N 1 3 356.558 2.889 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1CCC(C)CC1 ZINC000513754955 516741648 /nfs/dbraw/zinc/74/16/48/516741648.db2.gz OSEDODFLBMNPTC-KRWDZBQOSA-N 1 3 357.498 2.773 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1CCCC[C@H]1C ZINC000514087660 516856488 /nfs/dbraw/zinc/85/64/88/516856488.db2.gz IDWWTQALGSUVIY-IAGOWNOFSA-N 1 3 357.498 2.915 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)CCCN1CCN(C)CC1 ZINC000561980597 516860737 /nfs/dbraw/zinc/86/07/37/516860737.db2.gz SKOKBVJHYQQWBQ-UHFFFAOYSA-N 1 3 360.590 2.714 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCCN1CCN(C)CC1 ZINC000561980597 516860745 /nfs/dbraw/zinc/86/07/45/516860745.db2.gz SKOKBVJHYQQWBQ-UHFFFAOYSA-N 1 3 360.590 2.714 20 0 FFADHO C[C@@H](CSc1ccc(F)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000532283199 516891001 /nfs/dbraw/zinc/89/10/01/516891001.db2.gz DGBCWDBWZXSFMG-HNNXBMFYSA-N 1 3 355.523 2.506 20 0 FFADHO COCC1(C)CCN(CCOCC[NH+]2CCC(C)(COC)CC2)CC1 ZINC000536887840 516966630 /nfs/dbraw/zinc/96/66/30/516966630.db2.gz CNOJHQGOXARTPA-UHFFFAOYSA-N 1 3 356.551 2.500 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000532485093 516999791 /nfs/dbraw/zinc/99/97/91/516999791.db2.gz ROLLEKQXPLCYRE-DZGCQCFKSA-N 1 3 353.894 2.587 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCCC[C@H]1C ZINC000555624738 517024870 /nfs/dbraw/zinc/02/48/70/517024870.db2.gz SMGHOAJYYOZWMF-LMMKCTJWSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525438668 517041001 /nfs/dbraw/zinc/04/10/01/517041001.db2.gz KRBYNPPBZJSQBM-GOSISDBHSA-N 1 3 368.953 2.796 20 0 FFADHO C[C@H]1C[C@@H](N(C)CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC000537165374 517062751 /nfs/dbraw/zinc/06/27/51/517062751.db2.gz AOPWMOCKVBCYCY-JKLQHZFJSA-N 1 3 357.542 2.835 20 0 FFADHO C[C@H]1C[C@@H](N(C)CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC000537165374 517062758 /nfs/dbraw/zinc/06/27/58/517062758.db2.gz AOPWMOCKVBCYCY-JKLQHZFJSA-N 1 3 357.542 2.835 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529311607 517071693 /nfs/dbraw/zinc/07/16/93/517071693.db2.gz WXOMRLCPCHIEHI-VQIMIIECSA-N 1 3 356.514 2.796 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529317172 517075313 /nfs/dbraw/zinc/07/53/13/517075313.db2.gz ZJHOCQJNIQJTDC-NZSAHSFTSA-N 1 3 356.514 2.623 20 0 FFADHO CN1CC[C@](O)(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000545162558 517079916 /nfs/dbraw/zinc/07/99/16/517079916.db2.gz KPKFDUKVQKBMSC-NRFANRHFSA-N 1 3 374.529 2.639 20 0 FFADHO CN1CC[C@](O)(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000545162558 517079924 /nfs/dbraw/zinc/07/99/24/517079924.db2.gz KPKFDUKVQKBMSC-NRFANRHFSA-N 1 3 374.529 2.639 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000515084491 517207248 /nfs/dbraw/zinc/20/72/48/517207248.db2.gz JAJHONHAICZTFT-MOPGFXCFSA-N 1 3 361.505 2.838 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000515084491 517207256 /nfs/dbraw/zinc/20/72/56/517207256.db2.gz JAJHONHAICZTFT-MOPGFXCFSA-N 1 3 361.505 2.838 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000556045180 517243095 /nfs/dbraw/zinc/24/30/95/517243095.db2.gz BZYCDMNXIMOUCE-FDFHNCONSA-N 1 3 369.553 2.742 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000556045180 517243105 /nfs/dbraw/zinc/24/31/05/517243105.db2.gz BZYCDMNXIMOUCE-FDFHNCONSA-N 1 3 369.553 2.742 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000556045180 517243111 /nfs/dbraw/zinc/24/31/11/517243111.db2.gz BZYCDMNXIMOUCE-FDFHNCONSA-N 1 3 369.553 2.742 20 0 FFADHO C[C@H](NC(=O)CCN(C)c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541855275 517253514 /nfs/dbraw/zinc/25/35/14/517253514.db2.gz OZFTUTQEBZSKNR-ICSRJNTNSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@H](NC(=O)CCN(C)c1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541855275 517253523 /nfs/dbraw/zinc/25/35/23/517253523.db2.gz OZFTUTQEBZSKNR-ICSRJNTNSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)N1CCC(C)CC1 ZINC000520067758 517269386 /nfs/dbraw/zinc/26/93/86/517269386.db2.gz GJFUOBLEDTZYRY-MJGOQNOKSA-N 1 3 352.567 2.917 20 0 FFADHO COC[C@@]1([NH2+]C2CCN(c3ccncc3)CC2)COc2ccccc2C1 ZINC000529669900 517273356 /nfs/dbraw/zinc/27/33/56/517273356.db2.gz WMUMKQOQPPNHOH-OAQYLSRUSA-N 1 3 353.466 2.660 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000520129915 517279371 /nfs/dbraw/zinc/27/93/71/517279371.db2.gz CFBFORHIEZTLCX-IBGZPJMESA-N 1 3 366.525 2.875 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000515291670 517282064 /nfs/dbraw/zinc/28/20/64/517282064.db2.gz DYZQTLVNVUIOEX-KRWDZBQOSA-N 1 3 364.559 2.868 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000548919400 517302379 /nfs/dbraw/zinc/30/23/79/517302379.db2.gz PCDPRAHIKNKUKF-DLBZAZTESA-N 1 3 364.559 2.915 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000548919400 517302389 /nfs/dbraw/zinc/30/23/89/517302389.db2.gz PCDPRAHIKNKUKF-DLBZAZTESA-N 1 3 364.559 2.915 20 0 FFADHO COc1ccc(C[C@@H](C)C[NH2+]CCCCN2CCN(C)CC2)cc1F ZINC000545600439 517306309 /nfs/dbraw/zinc/30/63/09/517306309.db2.gz UNQYIGGMCUBMHY-QGZVFWFLSA-N 1 3 351.510 2.630 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000520253860 517320932 /nfs/dbraw/zinc/32/09/32/517320932.db2.gz BLXFXFPUESGMEZ-KGLIPLIRSA-N 1 3 355.324 2.521 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000545858524 517394438 /nfs/dbraw/zinc/39/44/38/517394438.db2.gz BCQMFUVKBQLFHH-UYAOXDASSA-N 1 3 356.514 2.601 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000545858524 517394447 /nfs/dbraw/zinc/39/44/47/517394447.db2.gz BCQMFUVKBQLFHH-UYAOXDASSA-N 1 3 356.514 2.601 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000562809092 517423095 /nfs/dbraw/zinc/42/30/95/517423095.db2.gz XIWBMMNDDVYJPZ-QHAWAJNXSA-N 1 3 366.509 2.993 20 0 FFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000537980669 517425069 /nfs/dbraw/zinc/42/50/69/517425069.db2.gz ICPCOIQCOJBRTH-VDZJLULYSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537980669 517425076 /nfs/dbraw/zinc/42/50/76/517425076.db2.gz ICPCOIQCOJBRTH-VDZJLULYSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000520541666 517428112 /nfs/dbraw/zinc/42/81/12/517428112.db2.gz VFXFXPOLECHODK-ZWKOTPCHSA-N 1 3 374.529 3.000 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533430625 517459479 /nfs/dbraw/zinc/45/94/79/517459479.db2.gz SIAQZELMSMWGSH-MISYRCLQSA-N 1 3 365.562 2.501 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000515810884 517481855 /nfs/dbraw/zinc/48/18/55/517481855.db2.gz FJGOSFZHPAJZLC-FXAWDEMLSA-N 1 3 356.514 2.649 20 0 FFADHO CCOCC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000515832347 517487354 /nfs/dbraw/zinc/48/73/54/517487354.db2.gz SQRDLPUFNLHRJQ-GOSISDBHSA-N 1 3 354.922 2.929 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000520791746 517513200 /nfs/dbraw/zinc/51/32/00/517513200.db2.gz ALCNFVZZXICFDH-RTWAWAEBSA-N 1 3 370.541 2.771 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562942497 517518772 /nfs/dbraw/zinc/51/87/72/517518772.db2.gz FOXSACJTYUDXCS-NEWSRXKRSA-N 1 3 362.562 2.765 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000562942497 517518784 /nfs/dbraw/zinc/51/87/84/517518784.db2.gz FOXSACJTYUDXCS-NEWSRXKRSA-N 1 3 362.562 2.765 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520881747 517542917 /nfs/dbraw/zinc/54/29/17/517542917.db2.gz CKYVYXXIJZCJRO-ACRUOGEOSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000520881747 517542923 /nfs/dbraw/zinc/54/29/23/517542923.db2.gz CKYVYXXIJZCJRO-ACRUOGEOSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N1CC[C@@H](N2CCCC2)C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000527195678 517552421 /nfs/dbraw/zinc/55/24/21/517552421.db2.gz PDPJGJBLSZTPAN-MQSCRBSSSA-N 1 3 367.537 2.985 20 0 FFADHO O=C(N1CC[C@@H](N2CCCC2)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000527195678 517552427 /nfs/dbraw/zinc/55/24/27/517552427.db2.gz PDPJGJBLSZTPAN-MQSCRBSSSA-N 1 3 367.537 2.985 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000516163642 517595756 /nfs/dbraw/zinc/59/57/56/517595756.db2.gz NMSFIWDZAJQWND-LAUBAEHRSA-N 1 3 370.541 2.996 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530222099 517637260 /nfs/dbraw/zinc/63/72/60/517637260.db2.gz QGPMNTWTANXFAC-FCEWJHQRSA-N 1 3 367.493 2.858 20 0 FFADHO CN1CCN(CC[NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1(C)C ZINC000530234077 517642800 /nfs/dbraw/zinc/64/28/00/517642800.db2.gz MKUGKZJHUVLVAN-UHFFFAOYSA-N 1 3 359.558 2.691 20 0 FFADHO COc1ccc(C[C@H](C)CNC[C@H](O)C[NH+]2CCC(C)CC2)cc1F ZINC000546336263 517646789 /nfs/dbraw/zinc/64/67/89/517646789.db2.gz PFDHHQFHJZMRKG-WMZOPIPTSA-N 1 3 352.494 2.695 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000542714862 517701026 /nfs/dbraw/zinc/70/10/26/517701026.db2.gz ACLYZPPRQODDFI-FGTMMUONSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000542714862 517701036 /nfs/dbraw/zinc/70/10/36/517701036.db2.gz ACLYZPPRQODDFI-FGTMMUONSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000538686998 517725009 /nfs/dbraw/zinc/72/50/09/517725009.db2.gz JUAVXEHANXSQEH-QUCCMNQESA-N 1 3 358.530 2.949 20 0 FFADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CCCCC[NH2+]1 ZINC000563211230 517741343 /nfs/dbraw/zinc/74/13/43/517741343.db2.gz UTSKLZOPEXHZLF-HXUWFJFHSA-N 1 3 356.514 2.689 20 0 FFADHO C[C@@]1(NC(=O)NC2CC([NH+]3CCCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000563236107 517761558 /nfs/dbraw/zinc/76/15/58/517761558.db2.gz MLNLTZYCPRVGPK-QETWGEEDSA-N 1 3 370.541 2.967 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)s2)cn1 ZINC000556964189 517777975 /nfs/dbraw/zinc/77/79/75/517777975.db2.gz KOLWUPGGMVHZQM-FUHWJXTLSA-N 1 3 360.527 2.867 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000516682549 517806679 /nfs/dbraw/zinc/80/66/79/517806679.db2.gz VHXGSMYLBHBZTA-QWFCFKBJSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000516682549 517806690 /nfs/dbraw/zinc/80/66/90/517806690.db2.gz VHXGSMYLBHBZTA-QWFCFKBJSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000516684744 517807985 /nfs/dbraw/zinc/80/79/85/517807985.db2.gz SWZOTOLBFUFHLR-MSOLQXFVSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000516684744 517807993 /nfs/dbraw/zinc/80/79/93/517807993.db2.gz SWZOTOLBFUFHLR-MSOLQXFVSA-N 1 3 352.567 2.869 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000557033043 517815180 /nfs/dbraw/zinc/81/51/80/517815180.db2.gz UMVRPJIUMMQKQN-UHFFFAOYSA-N 1 3 374.529 2.687 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000543081320 517898044 /nfs/dbraw/zinc/89/80/44/517898044.db2.gz SSDYAEWNKKYWDV-HNNXBMFYSA-N 1 3 373.497 2.797 20 0 FFADHO Cc1cc(NC(=O)N2CCN(C3CCCC3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000530711497 517936124 /nfs/dbraw/zinc/93/61/24/517936124.db2.gz ATCSGKYCPXQASE-UHFFFAOYSA-N 1 3 374.533 2.550 20 0 FFADHO CN1CCO[C@H]([C@H](NC[C@H]2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000516964439 517948137 /nfs/dbraw/zinc/94/81/37/517948137.db2.gz NOIHIUACYMJVSB-UDTPNQRGSA-N 1 3 351.922 2.819 20 0 FFADHO [NH3+][C@@H]1C[C@H]2CN(c3ccnc4ccc(Oc5ccccc5)cc43)CCN2C1=O ZINC000522014151 517950667 /nfs/dbraw/zinc/95/06/67/517950667.db2.gz PFGQRTVSHHXUCE-HNAYVOBHSA-N 1 3 374.444 2.775 20 0 FFADHO CCCN(CCN(C)C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000522017625 517952773 /nfs/dbraw/zinc/95/27/73/517952773.db2.gz INAVZJXZBDVIRU-ZIAGYGMSSA-N 1 3 351.457 2.695 20 0 FFADHO CCCN(CCN(C)C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000522017625 517952781 /nfs/dbraw/zinc/95/27/81/517952781.db2.gz INAVZJXZBDVIRU-ZIAGYGMSSA-N 1 3 351.457 2.695 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N(C)CCC[NH3+])cc1 ZINC000563540348 517971547 /nfs/dbraw/zinc/97/15/47/517971547.db2.gz AFESZTPOVKQRLY-UHFFFAOYSA-N 1 3 354.498 2.905 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000553926559 517974909 /nfs/dbraw/zinc/97/49/09/517974909.db2.gz QPNCQNWQCWJEPZ-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000522075492 517977797 /nfs/dbraw/zinc/97/77/97/517977797.db2.gz LHANAUNHNXTNID-RBUKOAKNSA-N 1 3 360.546 2.927 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000517028394 517985619 /nfs/dbraw/zinc/98/56/19/517985619.db2.gz DWJHZVGEEIGPFA-AZUAARDMSA-N 1 3 359.514 2.685 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)[C@@H](C)C1 ZINC000527937314 517998546 /nfs/dbraw/zinc/99/85/46/517998546.db2.gz HODRPPZLVFKEHX-JYJNAYRXSA-N 1 3 362.440 2.713 20 0 FFADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530841106 518004921 /nfs/dbraw/zinc/00/49/21/518004921.db2.gz WOMNRNCUQUILAY-WMLDXEAASA-N 1 3 352.910 2.678 20 0 FFADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530841106 518004927 /nfs/dbraw/zinc/00/49/27/518004927.db2.gz WOMNRNCUQUILAY-WMLDXEAASA-N 1 3 352.910 2.678 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000530880421 518028829 /nfs/dbraw/zinc/02/88/29/518028829.db2.gz VBPLXNHQSQFZDI-UHFFFAOYSA-N 1 3 353.510 2.848 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000517140977 518038875 /nfs/dbraw/zinc/03/88/75/518038875.db2.gz YGCHEFFNHHFJEU-UZLBHIALSA-N 1 3 352.482 2.780 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000530904394 518044076 /nfs/dbraw/zinc/04/40/76/518044076.db2.gz VUPMPJWXISRILY-CYBMUJFWSA-N 1 3 358.438 2.802 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000530904394 518044080 /nfs/dbraw/zinc/04/40/80/518044080.db2.gz VUPMPJWXISRILY-CYBMUJFWSA-N 1 3 358.438 2.802 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000530904394 518044087 /nfs/dbraw/zinc/04/40/87/518044087.db2.gz VUPMPJWXISRILY-CYBMUJFWSA-N 1 3 358.438 2.802 20 0 FFADHO C[C@@H]1C[C@@H](N2CCOCC2)CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000563751751 518106523 /nfs/dbraw/zinc/10/65/23/518106523.db2.gz MBZZLBZCTSUQQE-TZIWHRDSSA-N 1 3 359.558 2.940 20 0 FFADHO C[C@@H]1C[C@@H](N2CCOCC2)CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000563751751 518106525 /nfs/dbraw/zinc/10/65/25/518106525.db2.gz MBZZLBZCTSUQQE-TZIWHRDSSA-N 1 3 359.558 2.940 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1scnc1C1CC1 ZINC000534985480 518107648 /nfs/dbraw/zinc/10/76/48/518107648.db2.gz LEWNGJCNSYTXBR-OAHLLOKOSA-N 1 3 365.547 2.900 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1scnc1C1CC1 ZINC000534985480 518107654 /nfs/dbraw/zinc/10/76/54/518107654.db2.gz LEWNGJCNSYTXBR-OAHLLOKOSA-N 1 3 365.547 2.900 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000547385404 518116467 /nfs/dbraw/zinc/11/64/67/518116467.db2.gz TVDXKKFUEGSABS-SLFFLAALSA-N 1 3 361.505 2.804 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000547385404 518116471 /nfs/dbraw/zinc/11/64/71/518116471.db2.gz TVDXKKFUEGSABS-SLFFLAALSA-N 1 3 361.505 2.804 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000539670388 518135108 /nfs/dbraw/zinc/13/51/08/518135108.db2.gz ZJCSZOIMWIRYDS-FQEVSTJZSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000517417930 518143236 /nfs/dbraw/zinc/14/32/36/518143236.db2.gz FTHJBFYFADMYJC-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000517417930 518143242 /nfs/dbraw/zinc/14/32/42/518143242.db2.gz FTHJBFYFADMYJC-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539811108 518165996 /nfs/dbraw/zinc/16/59/96/518165996.db2.gz HRHBIDOWYXKZAM-IHPCNDPISA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539811108 518166001 /nfs/dbraw/zinc/16/60/01/518166001.db2.gz HRHBIDOWYXKZAM-IHPCNDPISA-N 1 3 358.530 2.538 20 0 FFADHO Clc1ccc(COC2CCN(CCN3CC[NH2+]CC3)CC2)cc1Cl ZINC000563887346 518215167 /nfs/dbraw/zinc/21/51/67/518215167.db2.gz GXKMMMWSXOTHMJ-UHFFFAOYSA-N 1 3 372.340 2.880 20 0 FFADHO O=C1CCCN1C[C@@H](NCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000569693191 518244293 /nfs/dbraw/zinc/24/42/93/518244293.db2.gz BRFXBEIVEHBHGD-QGZVFWFLSA-N 1 3 369.431 2.958 20 0 FFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000566902828 518257000 /nfs/dbraw/zinc/25/70/00/518257000.db2.gz PUCZVWDWPFRCOX-ICSRJNTNSA-N 1 3 358.461 2.934 20 0 FFADHO c1cc([C@H]2CCN(CCOCC[N@@H+]3CC[C@H](c4ccncc4)C3)C2)ccn1 ZINC000575813160 518292042 /nfs/dbraw/zinc/29/20/42/518292042.db2.gz WXVXJBJAMNAALG-VXKWHMMOSA-N 1 3 366.509 2.772 20 0 FFADHO c1cc([C@H]2CCN(CCOCC[N@H+]3CC[C@H](c4ccncc4)C3)C2)ccn1 ZINC000575813160 518292050 /nfs/dbraw/zinc/29/20/50/518292050.db2.gz WXVXJBJAMNAALG-VXKWHMMOSA-N 1 3 366.509 2.772 20 0 FFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000572648546 518292624 /nfs/dbraw/zinc/29/26/24/518292624.db2.gz IDVRTFMNUIGPFA-FQEVSTJZSA-N 1 3 353.466 2.843 20 0 FFADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H](CN)c3ccc(F)cc3)C2)n1 ZINC000584412670 518329700 /nfs/dbraw/zinc/32/97/00/518329700.db2.gz NYFYHWCUXFZOIG-MSOLQXFVSA-N 1 3 370.472 2.922 20 0 FFADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H](CN)c3ccc(F)cc3)C2)n1 ZINC000584412670 518329706 /nfs/dbraw/zinc/32/97/06/518329706.db2.gz NYFYHWCUXFZOIG-MSOLQXFVSA-N 1 3 370.472 2.922 20 0 FFADHO NC(C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000575920125 518342403 /nfs/dbraw/zinc/34/24/03/518342403.db2.gz LHKDVDRDRIDCIS-QGZVFWFLSA-N 1 3 371.447 2.727 20 0 FFADHO CN(c1ccccc1)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000569931731 518360905 /nfs/dbraw/zinc/36/09/05/518360905.db2.gz JUIHZYBECXXEJF-VXKWHMMOSA-N 1 3 353.510 2.518 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000575973523 518369610 /nfs/dbraw/zinc/36/96/10/518369610.db2.gz XVLXPNKYAAQWFG-UMGGQSCQSA-N 1 3 358.530 2.584 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000567160456 518381350 /nfs/dbraw/zinc/38/13/50/518381350.db2.gz JWNVJMMXPRZUIL-KRWDZBQOSA-N 1 3 367.331 2.916 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000567160456 518381357 /nfs/dbraw/zinc/38/13/57/518381357.db2.gz JWNVJMMXPRZUIL-KRWDZBQOSA-N 1 3 367.331 2.916 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CNc3ccccc3)CC2)CC1 ZINC000584540352 518391217 /nfs/dbraw/zinc/39/12/17/518391217.db2.gz VWZNHBIHKGLCKM-SFHVURJKSA-N 1 3 372.557 2.800 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2ccc(Cl)cn12 ZINC000576028233 518393607 /nfs/dbraw/zinc/39/36/07/518393607.db2.gz BLQNAFYKMWTLHM-KRWDZBQOSA-N 1 3 363.937 2.836 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2ccc(Cl)cn12 ZINC000576028233 518393613 /nfs/dbraw/zinc/39/36/13/518393613.db2.gz BLQNAFYKMWTLHM-KRWDZBQOSA-N 1 3 363.937 2.836 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)N(C)C)cc1 ZINC000578848709 518401216 /nfs/dbraw/zinc/40/12/16/518401216.db2.gz WYLHYOYOYZETFS-FPOVZHCZSA-N 1 3 358.530 2.637 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCc3ccccc3)CC2)CC1 ZINC000576050854 518404903 /nfs/dbraw/zinc/40/49/03/518404903.db2.gz UNBDVBYMDNBWPE-UHFFFAOYSA-N 1 3 357.542 2.884 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000572967211 518443135 /nfs/dbraw/zinc/44/31/35/518443135.db2.gz UJLLRRSUPTYEAX-UHFFFAOYSA-N 1 3 358.530 2.730 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cncc(Br)c1 ZINC000570226929 518505568 /nfs/dbraw/zinc/50/55/68/518505568.db2.gz YJVXTCZVVUFNFI-CYBMUJFWSA-N 1 3 355.324 2.521 20 0 FFADHO O=C1CC[C@@H](N[C@@H]2CCSc3ccc(F)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000581997246 518537993 /nfs/dbraw/zinc/53/79/93/518537993.db2.gz PVZUHJHSETYHIF-MDZRGWNJSA-N 1 3 363.502 2.599 20 0 FFADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000564640940 518538998 /nfs/dbraw/zinc/53/89/98/518538998.db2.gz PKXLQXFJQAEQKC-KRWDZBQOSA-N 1 3 362.543 2.540 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000567469471 518540745 /nfs/dbraw/zinc/54/07/45/518540745.db2.gz DYMNZESULJPCAY-RBBKRZOGSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000567469471 518540752 /nfs/dbraw/zinc/54/07/52/518540752.db2.gz DYMNZESULJPCAY-RBBKRZOGSA-N 1 3 363.505 2.902 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NCc1ccncc1OCC[NH+](C)C ZINC000582026400 518551219 /nfs/dbraw/zinc/55/12/19/518551219.db2.gz FXBPUKSCLTYUPR-HNNXBMFYSA-N 1 3 374.460 2.668 20 0 FFADHO CC(C)c1ccc(OCCNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000567502344 518557879 /nfs/dbraw/zinc/55/78/79/518557879.db2.gz HXSYZWDBTNHBBO-WOJBJXKFSA-N 1 3 373.541 2.627 20 0 FFADHO CSC1(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC[NH+](C)CC1 ZINC000576389684 518568372 /nfs/dbraw/zinc/56/83/72/518568372.db2.gz FFYMNMXXDQCMMO-ZDUSSCGKSA-N 1 3 374.547 2.707 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000579235679 518587526 /nfs/dbraw/zinc/58/75/26/518587526.db2.gz ASVOIZXDYPTASV-WMZOPIPTSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000579235679 518587529 /nfs/dbraw/zinc/58/75/29/518587529.db2.gz ASVOIZXDYPTASV-WMZOPIPTSA-N 1 3 353.576 2.585 20 0 FFADHO CC1(C)CCN(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000570410030 518593836 /nfs/dbraw/zinc/59/38/36/518593836.db2.gz DCRUJVFRPDRLLY-UHFFFAOYSA-N 1 3 361.452 2.640 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)[C@H]1c1cccs1 ZINC000573308437 518604155 /nfs/dbraw/zinc/60/41/55/518604155.db2.gz GBZMKHVQTHERCU-NUJGCVRESA-N 1 3 364.559 2.948 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CCc2ccccc2C1 ZINC000567594656 518605513 /nfs/dbraw/zinc/60/55/13/518605513.db2.gz YSXCOSMQGNNNPF-QFIPXVFZSA-N 1 3 370.541 2.608 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000570517265 518645972 /nfs/dbraw/zinc/64/59/72/518645972.db2.gz IBNLACWFTDNTRV-NRFANRHFSA-N 1 3 362.477 2.688 20 0 FFADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000576571493 518657603 /nfs/dbraw/zinc/65/76/03/518657603.db2.gz SFCFAQWKOJXBNB-JXFKEZNVSA-N 1 3 368.525 2.679 20 0 FFADHO [NH3+]C1(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCCCC1 ZINC000576611190 518676847 /nfs/dbraw/zinc/67/68/47/518676847.db2.gz WQFVXRSCHIDCAG-INIZCTEOSA-N 1 3 364.559 2.921 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000579478861 518701684 /nfs/dbraw/zinc/70/16/84/518701684.db2.gz JIMJWFTYKLECLF-UHFFFAOYSA-N 1 3 374.510 2.803 20 0 FFADHO O=C(CN1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1)Nc1ccccc1 ZINC000582408076 518738640 /nfs/dbraw/zinc/73/86/40/518738640.db2.gz ULNVCCABVADWTG-NJDAHSKKSA-N 1 3 370.541 2.600 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000579572033 518745240 /nfs/dbraw/zinc/74/52/40/518745240.db2.gz VELQDENGQNYABY-UTKZUKDTSA-N 1 3 358.530 2.901 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000570740094 518756324 /nfs/dbraw/zinc/75/63/24/518756324.db2.gz YUZVUXLYZYALEY-KBPBESRZSA-N 1 3 354.292 2.946 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000570740094 518756333 /nfs/dbraw/zinc/75/63/33/518756333.db2.gz YUZVUXLYZYALEY-KBPBESRZSA-N 1 3 354.292 2.946 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000579690194 518804785 /nfs/dbraw/zinc/80/47/85/518804785.db2.gz GXWPRBSNGFEFTA-ZWKOTPCHSA-N 1 3 358.530 2.647 20 0 FFADHO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN1CCN(C)CC1 ZINC000582605673 518835181 /nfs/dbraw/zinc/83/51/81/518835181.db2.gz LTNLLTLMPAYFHM-RBBKRZOGSA-N 1 3 370.585 2.657 20 0 FFADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000582614984 518839184 /nfs/dbraw/zinc/83/91/84/518839184.db2.gz SPDRBVCVBQXDED-VSKRKVRLSA-N 1 3 363.505 2.723 20 0 FFADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000582614984 518839188 /nfs/dbraw/zinc/83/91/88/518839188.db2.gz SPDRBVCVBQXDED-VSKRKVRLSA-N 1 3 363.505 2.723 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cnccc3C)CC2)CC1 ZINC000565202242 518841233 /nfs/dbraw/zinc/84/12/33/518841233.db2.gz XBEPSHVBVFCTOY-UHFFFAOYSA-N 1 3 358.530 2.545 20 0 FFADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C(N)C(F)(F)F)cc1 ZINC000579832098 518876601 /nfs/dbraw/zinc/87/66/01/518876601.db2.gz HPMDRKTXLDHPBA-KRWDZBQOSA-N 1 3 365.399 2.921 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(F)(F)[C@H](C)C3)CC2)CC1 ZINC000568107013 518878026 /nfs/dbraw/zinc/87/80/26/518878026.db2.gz ZQBAXFWBLCVLBC-OAHLLOKOSA-N 1 3 357.489 2.686 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CCC[NH2+]C1 ZINC000573904723 518892839 /nfs/dbraw/zinc/89/28/39/518892839.db2.gz PJSYBWOKZHWCNO-CRAIPNDOSA-N 1 3 350.532 2.574 20 0 FFADHO [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000568150568 518896567 /nfs/dbraw/zinc/89/65/67/518896567.db2.gz MRIPBPFBPBCYQV-NCYVPVAZSA-N 1 3 359.489 2.768 20 0 FFADHO C[C@H](CNC[C@H](O)COCc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000582780617 518919246 /nfs/dbraw/zinc/91/92/46/518919246.db2.gz YLPAIMXLADUJIK-AEFFLSMTSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@H](C[NH2+]C[C@H](O)COCc1ccccc1Cl)CN1CCCCC1 ZINC000582780617 518919252 /nfs/dbraw/zinc/91/92/52/518919252.db2.gz YLPAIMXLADUJIK-AEFFLSMTSA-N 1 3 354.922 2.929 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3(COC)CCC3)CC2)CC1 ZINC000568214911 518932447 /nfs/dbraw/zinc/93/24/47/518932447.db2.gz GMUMCOWLDDMLEM-UHFFFAOYSA-N 1 3 365.562 2.506 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4c(cn3)CCC4)CC2)CC1 ZINC000568215275 518932980 /nfs/dbraw/zinc/93/29/80/518932980.db2.gz QHXWGYXNQHFEBW-UHFFFAOYSA-N 1 3 356.514 2.705 20 0 FFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cncc(Br)c1 ZINC000568276641 518959625 /nfs/dbraw/zinc/95/96/25/518959625.db2.gz NZQZTOUMPJTZRY-CYBMUJFWSA-N 1 3 355.324 2.521 20 0 FFADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000582894111 518973909 /nfs/dbraw/zinc/97/39/09/518973909.db2.gz COPCTMLWOCPMDU-NLWGTHIKSA-N 1 3 358.530 2.838 20 0 FFADHO CN(C)C[C@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000574080169 518976982 /nfs/dbraw/zinc/97/69/82/518976982.db2.gz ODOXYXQBYZBBOY-OALUTQOASA-N 1 3 357.885 2.946 20 0 FFADHO C[C@H]1C[C@H](NCCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000582959775 519008498 /nfs/dbraw/zinc/00/84/98/519008498.db2.gz NEPOPHFPXDCWAB-GXTWGEPZSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@H]1C[C@H](NCCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000582959775 519008502 /nfs/dbraw/zinc/00/85/02/519008502.db2.gz NEPOPHFPXDCWAB-GXTWGEPZSA-N 1 3 354.292 2.850 20 0 FFADHO Cc1cc(NC(=O)NCC2([NH3+])CCCCCC2)n(C2CCN(C)CC2)n1 ZINC000568487434 519063593 /nfs/dbraw/zinc/06/35/93/519063593.db2.gz UQASIVJHMBXLIN-UHFFFAOYSA-N 1 3 362.522 2.631 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000574393446 519132705 /nfs/dbraw/zinc/13/27/05/519132705.db2.gz WDYXERBZTLXZPE-IAGOWNOFSA-N 1 3 350.532 2.529 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000565855416 519164259 /nfs/dbraw/zinc/16/42/59/519164259.db2.gz JWIKESZAJGHKFM-PBASOCQRSA-N 1 3 370.541 2.918 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000565855416 519164264 /nfs/dbraw/zinc/16/42/64/519164264.db2.gz JWIKESZAJGHKFM-PBASOCQRSA-N 1 3 370.541 2.918 20 0 FFADHO c1c(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2n1CCCC2 ZINC000580420943 519168555 /nfs/dbraw/zinc/16/85/55/519168555.db2.gz MLVJGVRWICSJHG-GHTZIAJQSA-N 1 3 352.482 2.607 20 0 FFADHO CN(CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000574472195 519170692 /nfs/dbraw/zinc/17/06/92/519170692.db2.gz VOTAHXQGELMBJD-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](N)Cc3ccccc3)c2)CC1 ZINC000577629667 519177279 /nfs/dbraw/zinc/17/72/79/519177279.db2.gz HJYAWNHTXBMREQ-OAQYLSRUSA-N 1 3 366.509 2.726 20 0 FFADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000590243122 519181031 /nfs/dbraw/zinc/18/10/31/519181031.db2.gz HJQZUCFYCTXGPB-ICSRJNTNSA-N 1 3 359.514 2.682 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000568730531 519187923 /nfs/dbraw/zinc/18/79/23/519187923.db2.gz BMZFUMGJEFZGFN-SOAMZJECSA-N 1 3 358.530 2.714 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000583321365 519189294 /nfs/dbraw/zinc/18/92/94/519189294.db2.gz CVKDQNOLXFUJFM-CZZMKVDGSA-N 1 3 359.489 2.670 20 0 FFADHO CC1(C)CCN(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC000583389087 519223318 /nfs/dbraw/zinc/22/33/18/519223318.db2.gz AFKUKELNBYBJJM-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO CC1(C)CCN(CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000583389087 519223321 /nfs/dbraw/zinc/22/33/21/519223321.db2.gz AFKUKELNBYBJJM-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCc3ccccc3[C@H]2CN)c1 ZINC000580560416 519240680 /nfs/dbraw/zinc/24/06/80/519240680.db2.gz DUORHPBBOYBSJQ-HXUWFJFHSA-N 1 3 352.482 2.516 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000571745825 519252641 /nfs/dbraw/zinc/25/26/41/519252641.db2.gz KTKFKGCSLKPNSS-UMSONDCASA-N 1 3 366.509 2.733 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000568878045 519263447 /nfs/dbraw/zinc/26/34/47/519263447.db2.gz KURNOUOEXPYNEU-YLJYHZDGSA-N 1 3 366.509 2.683 20 0 FFADHO C[C@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C[C@@H]1C[NH3+] ZINC000577841698 519284038 /nfs/dbraw/zinc/28/40/38/519284038.db2.gz HJTXJQIERZDGHB-RDJZCZTQSA-N 1 3 364.559 2.586 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(CO)ccc3C)CC2)CC1 ZINC000580655831 519286963 /nfs/dbraw/zinc/28/69/63/519286963.db2.gz FVXUIHRKPWUSOB-UHFFFAOYSA-N 1 3 359.514 2.622 20 0 FFADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCCC2=CC[NH2+]CC2)cc1 ZINC000566092188 519292391 /nfs/dbraw/zinc/29/23/91/519292391.db2.gz RDUJUNSCETVHER-UXHICEINSA-N 1 3 362.539 2.979 20 0 FFADHO C[C@H](CNC[C@@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000566106336 519302160 /nfs/dbraw/zinc/30/21/60/519302160.db2.gz MRRDUYOFTCONEX-VQIMIIECSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@H](C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)CN1CCCCC1 ZINC000566106336 519302168 /nfs/dbraw/zinc/30/21/68/519302168.db2.gz MRRDUYOFTCONEX-VQIMIIECSA-N 1 3 354.922 2.929 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000574744718 519310495 /nfs/dbraw/zinc/31/04/95/519310495.db2.gz QVFAFPXQXFVILN-SFTDATJTSA-N 1 3 373.541 2.791 20 0 FFADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000566201228 519365801 /nfs/dbraw/zinc/36/58/01/519365801.db2.gz CPYVNIYEDSXXHU-SFHVURJKSA-N 1 3 350.466 2.578 20 0 FFADHO O=C(CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)NCc1ccccc1 ZINC000574868552 519374751 /nfs/dbraw/zinc/37/47/51/519374751.db2.gz AEKXYORYZUDQGQ-KNQAVFIVSA-N 1 3 365.477 2.538 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580882628 519407853 /nfs/dbraw/zinc/40/78/53/519407853.db2.gz GCHAJKUJAWXGKB-VRXWPRPYSA-N 1 3 370.541 2.584 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000572032865 519409466 /nfs/dbraw/zinc/40/94/66/519409466.db2.gz CBLFMMSVAXASPH-HXUWFJFHSA-N 1 3 352.482 2.782 20 0 FFADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1ccccc1 ZINC000574950391 519417701 /nfs/dbraw/zinc/41/77/01/519417701.db2.gz RWZRKDIWLZTMCK-NRFANRHFSA-N 1 3 354.494 2.723 20 0 FFADHO NC(=O)c1ccc(-c2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000566302750 519423538 /nfs/dbraw/zinc/42/35/38/519423538.db2.gz SFPLOCQMBFDKNY-SJORKVTESA-N 1 3 370.522 2.731 20 0 FFADHO Cn1cc(CN2CCC(CC[NH3+])CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000574993561 519440884 /nfs/dbraw/zinc/44/08/84/519440884.db2.gz YNMPEDRHITWUOM-UHFFFAOYSA-N 1 3 370.497 2.809 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000580952231 519445818 /nfs/dbraw/zinc/44/58/18/519445818.db2.gz PQFJGDDDLXFHDN-VXKWHMMOSA-N 1 3 372.484 2.738 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000580952231 519445822 /nfs/dbraw/zinc/44/58/22/519445822.db2.gz PQFJGDDDLXFHDN-VXKWHMMOSA-N 1 3 372.484 2.738 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000580952231 519445831 /nfs/dbraw/zinc/44/58/31/519445831.db2.gz PQFJGDDDLXFHDN-VXKWHMMOSA-N 1 3 372.484 2.738 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc3c[nH]nc32)CC1 ZINC000566365650 519455651 /nfs/dbraw/zinc/45/56/51/519455651.db2.gz HLKPXBAJGMPBNO-UHFFFAOYSA-N 1 3 371.529 2.623 20 0 FFADHO CCOC(=O)C1CCC(O)(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000575117067 519509465 /nfs/dbraw/zinc/50/94/65/519509465.db2.gz YDGXMGLKWKFUAI-UHFFFAOYSA-N 1 3 366.546 2.858 20 0 FFADHO CCOC(=O)C1CCC(O)(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000575117067 519509469 /nfs/dbraw/zinc/50/94/69/519509469.db2.gz YDGXMGLKWKFUAI-UHFFFAOYSA-N 1 3 366.546 2.858 20 0 FFADHO Cc1ccc([C@H](CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)N(C)C)cc1 ZINC000572345338 519566944 /nfs/dbraw/zinc/56/69/44/519566944.db2.gz CZOKBYIHDNVZHZ-PXNSSMCTSA-N 1 3 367.497 2.630 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000581189407 519568634 /nfs/dbraw/zinc/56/86/34/519568634.db2.gz NZCHKRFDICDSIM-WOJBJXKFSA-N 1 3 352.482 2.734 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[NH+]1CCCC1 ZINC000591569665 519953463 /nfs/dbraw/zinc/95/34/63/519953463.db2.gz KZQGSWXTSBNFJR-UXHICEINSA-N 1 3 360.546 2.579 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNCc2cccc(NS(C)(=O)=O)c2)c1 ZINC000591708576 520006746 /nfs/dbraw/zinc/00/67/46/520006746.db2.gz CUIORWXNBURTQQ-UHFFFAOYSA-N 1 3 361.511 2.800 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc(NS(C)(=O)=O)c2)c1 ZINC000591708576 520006752 /nfs/dbraw/zinc/00/67/52/520006752.db2.gz CUIORWXNBURTQQ-UHFFFAOYSA-N 1 3 361.511 2.800 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612985609 520258133 /nfs/dbraw/zinc/25/81/33/520258133.db2.gz GYAQSXZBSJHZFB-INIZCTEOSA-N 1 3 350.551 2.671 20 0 FFADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000595025784 520260445 /nfs/dbraw/zinc/26/04/45/520260445.db2.gz NGTASSMYQMFDDC-SFHVURJKSA-N 1 3 367.578 2.894 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592474681 520404679 /nfs/dbraw/zinc/40/46/79/520404679.db2.gz HPDAAMYFFAHCDZ-OALUTQOASA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000592474681 520404690 /nfs/dbraw/zinc/40/46/90/520404690.db2.gz HPDAAMYFFAHCDZ-OALUTQOASA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccsc1Br ZINC000617503432 520537834 /nfs/dbraw/zinc/53/78/34/520537834.db2.gz IWNMEOKCDJTFFH-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccsc1Br ZINC000617503432 520537840 /nfs/dbraw/zinc/53/78/40/520537840.db2.gz IWNMEOKCDJTFFH-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000617504971 520542397 /nfs/dbraw/zinc/54/23/97/520542397.db2.gz RIQQYEXBUBGVGN-ZNMIVQPWSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000617504971 520542401 /nfs/dbraw/zinc/54/24/01/520542401.db2.gz RIQQYEXBUBGVGN-ZNMIVQPWSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1Oc1ccncc1 ZINC000617508063 520545912 /nfs/dbraw/zinc/54/59/12/520545912.db2.gz TUTMALAKJNREDQ-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1Oc1ccncc1 ZINC000617508063 520545917 /nfs/dbraw/zinc/54/59/17/520545917.db2.gz TUTMALAKJNREDQ-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000601207861 520686278 /nfs/dbraw/zinc/68/62/78/520686278.db2.gz LMPISXZXNCPVPU-UXHICEINSA-N 1 3 358.530 2.996 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598954202 520940781 /nfs/dbraw/zinc/94/07/81/520940781.db2.gz PGLDSBIJWGGXSK-UHFFFAOYSA-N 1 3 367.559 2.821 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000606703006 521142616 /nfs/dbraw/zinc/14/26/16/521142616.db2.gz JZYUQWXYRSHJDL-TVRKMHQQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000611678945 521275652 /nfs/dbraw/zinc/27/56/52/521275652.db2.gz WZNSDBCXRPOJOX-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000611678945 521275656 /nfs/dbraw/zinc/27/56/56/521275656.db2.gz WZNSDBCXRPOJOX-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)C2)C1 ZINC000615356118 521382003 /nfs/dbraw/zinc/38/20/03/521382003.db2.gz LNXZOBMPBZPPPJ-FYYLOGMGSA-N 1 3 369.553 2.885 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)C2)C1 ZINC000615356118 521382010 /nfs/dbraw/zinc/38/20/10/521382010.db2.gz LNXZOBMPBZPPPJ-FYYLOGMGSA-N 1 3 369.553 2.885 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000594101994 521404446 /nfs/dbraw/zinc/40/44/46/521404446.db2.gz FTYIYPPZOQEEER-MKXGPGLRSA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000615689847 521502385 /nfs/dbraw/zinc/50/23/85/521502385.db2.gz PGHKKAUUQMAGNB-IBGZPJMESA-N 1 3 366.525 2.875 20 0 FFADHO CCN(CC[NH3+])C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000625893025 521767505 /nfs/dbraw/zinc/76/75/05/521767505.db2.gz IDYZBHUMBSHJQY-UHFFFAOYSA-N 1 3 354.882 2.626 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635014014 521867184 /nfs/dbraw/zinc/86/71/84/521867184.db2.gz XQLLRCIONFIPSR-GUXCAODWSA-N 1 3 360.523 2.742 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CN1C1CC1 ZINC000626042324 521874131 /nfs/dbraw/zinc/87/41/31/521874131.db2.gz ZLHIZBVDZBBKCN-GUMYABAYSA-N 1 3 367.537 2.886 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CN1C1CC1 ZINC000626042324 521874138 /nfs/dbraw/zinc/87/41/38/521874138.db2.gz ZLHIZBVDZBBKCN-GUMYABAYSA-N 1 3 367.537 2.886 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040667 521876052 /nfs/dbraw/zinc/87/60/52/521876052.db2.gz KDCFYPCNHPHMIF-KMFMINBZSA-N 1 3 355.320 2.940 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040667 521876059 /nfs/dbraw/zinc/87/60/59/521876059.db2.gz KDCFYPCNHPHMIF-KMFMINBZSA-N 1 3 355.320 2.940 20 0 FFADHO COc1cc(C[NH2+]CCCCN2CCN(C)CC2)cc(C(F)(F)F)c1 ZINC000623356901 521961264 /nfs/dbraw/zinc/96/12/64/521961264.db2.gz NUUFCOXLMLUJFA-UHFFFAOYSA-N 1 3 359.436 2.831 20 0 FFADHO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623376373 521974093 /nfs/dbraw/zinc/97/40/93/521974093.db2.gz QOZRNBLDOZHGDR-KRWDZBQOSA-N 1 3 367.559 2.678 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000623409125 522000263 /nfs/dbraw/zinc/00/02/63/522000263.db2.gz QQDZPOOFXLPTHW-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000623409125 522000270 /nfs/dbraw/zinc/00/02/70/522000270.db2.gz QQDZPOOFXLPTHW-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623515090 522083373 /nfs/dbraw/zinc/08/33/73/522083373.db2.gz ONMYLNOYESWVRQ-LEWJYISDSA-N 1 3 372.557 2.930 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623515090 522083379 /nfs/dbraw/zinc/08/33/79/522083379.db2.gz ONMYLNOYESWVRQ-LEWJYISDSA-N 1 3 372.557 2.930 20 0 FFADHO CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000623725231 522244257 /nfs/dbraw/zinc/24/42/57/522244257.db2.gz QDOZNKWFEKSFRW-FQEVSTJZSA-N 1 3 353.466 2.544 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)C[NH+](CC)CC)N1CCc2ccccc2C1 ZINC000620550594 522290394 /nfs/dbraw/zinc/29/03/94/522290394.db2.gz RZWLDOXDWPRNIU-YLJYHZDGSA-N 1 3 360.546 2.853 20 0 FFADHO CC(C)(CNC[C@@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000629559429 522311376 /nfs/dbraw/zinc/31/13/76/522311376.db2.gz REPPHYLXUSFDJF-MRXNPFEDSA-N 1 3 355.320 2.773 20 0 FFADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Sc1ccc(Br)cc1 ZINC000629566452 522321325 /nfs/dbraw/zinc/32/13/25/522321325.db2.gz ZIHNYCDBSQANBC-ZFWWWQNUSA-N 1 3 373.360 2.976 20 0 FFADHO O[C@H](CNCCc1c[nH]c2cccc(Br)c12)C[NH+]1CCCC1 ZINC000629579228 522327839 /nfs/dbraw/zinc/32/78/39/522327839.db2.gz CDIWXACRADJBFU-CQSZACIVSA-N 1 3 366.303 2.519 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)N2CCCC2)c1 ZINC000635527387 522334672 /nfs/dbraw/zinc/33/46/72/522334672.db2.gz ILXJBEFUURUIDU-QRFRQXIXSA-N 1 3 374.529 2.649 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000632866035 522341979 /nfs/dbraw/zinc/34/19/79/522341979.db2.gz XPDIZCOXFJEQJD-UHFFFAOYSA-N 1 3 372.557 2.951 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000632898667 522372586 /nfs/dbraw/zinc/37/25/86/522372586.db2.gz UMEJFDATDIDIBT-GOSISDBHSA-N 1 3 370.497 2.709 20 0 FFADHO CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1 ZINC000630052444 522611083 /nfs/dbraw/zinc/61/10/83/522611083.db2.gz WHKGDXZKBGDNHC-FQEVSTJZSA-N 1 3 351.498 2.928 20 0 FFADHO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1 ZINC000630052444 522611093 /nfs/dbraw/zinc/61/10/93/522611093.db2.gz WHKGDXZKBGDNHC-FQEVSTJZSA-N 1 3 351.498 2.928 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000624394472 522658944 /nfs/dbraw/zinc/65/89/44/522658944.db2.gz GSFFOMLCOXZALJ-FQEVSTJZSA-N 1 3 362.562 2.815 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCC([NH+](C)C)CC3)C2)cc1 ZINC000633316168 522669875 /nfs/dbraw/zinc/66/98/75/522669875.db2.gz BIIIAOIBWQVEBG-IOJLRTSASA-N 1 3 358.530 2.741 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627167095 522689478 /nfs/dbraw/zinc/68/94/78/522689478.db2.gz WGQJTGKKOZHKIV-HSALFYBXSA-N 1 3 358.530 2.681 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000633364965 522701503 /nfs/dbraw/zinc/70/15/03/522701503.db2.gz KNRBNBWBMVSPKD-GOSISDBHSA-N 1 3 350.551 2.909 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000621648685 522995468 /nfs/dbraw/zinc/99/54/68/522995468.db2.gz ZMLVSOZQOZSLGB-SFHVURJKSA-N 1 3 358.530 2.542 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621656691 522999075 /nfs/dbraw/zinc/99/90/75/522999075.db2.gz VMIVLIFMFAVATE-HNNXBMFYSA-N 1 3 353.457 2.635 20 0 FFADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(N2CCCOCC2)CC1 ZINC000627738773 523062305 /nfs/dbraw/zinc/06/23/05/523062305.db2.gz BIKOOUOZCXXCFE-UHFFFAOYSA-N 1 3 371.525 2.609 20 0 FFADHO COc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cn1 ZINC000621776763 523067290 /nfs/dbraw/zinc/06/72/90/523067290.db2.gz VTKRMZSJLVNTJS-UHFFFAOYSA-N 1 3 355.486 2.660 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000636577333 523077980 /nfs/dbraw/zinc/07/79/80/523077980.db2.gz FCWSICQSTQNMTM-UHFFFAOYSA-N 1 3 370.501 2.533 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4cc(O)ccc43)CC2)CC1 ZINC000630863442 523198086 /nfs/dbraw/zinc/19/80/86/523198086.db2.gz WIHIZKGKFOOXPG-UHFFFAOYSA-N 1 3 367.493 2.834 20 0 FFADHO CC(C)n1ncnc1CNCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000631044572 523329872 /nfs/dbraw/zinc/32/98/72/523329872.db2.gz RUIZPRXHUPVPLG-UHFFFAOYSA-N 1 3 370.545 2.547 20 0 FFADHO COc1cc(Cl)c(CNCCCC[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000631068002 523351616 /nfs/dbraw/zinc/35/16/16/523351616.db2.gz JREAXLMVNRKZDJ-HNNXBMFYSA-N 1 3 356.894 2.684 20 0 FFADHO COc1cc(Cl)c(CNCCCC[N@H+]2CCC[C@H]2CO)cc1OC ZINC000631068002 523351629 /nfs/dbraw/zinc/35/16/29/523351629.db2.gz JREAXLMVNRKZDJ-HNNXBMFYSA-N 1 3 356.894 2.684 20 0 FFADHO COc1cncc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1C ZINC000631165418 523431108 /nfs/dbraw/zinc/43/11/08/523431108.db2.gz XZXJCMRBFOUMIP-UHFFFAOYSA-N 1 3 355.482 2.515 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000637371173 523590296 /nfs/dbraw/zinc/59/02/96/523590296.db2.gz XZAAXWREDLNANS-LJQANCHMSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637373045 523593460 /nfs/dbraw/zinc/59/34/60/523593460.db2.gz NVKLDJJPNAPMRJ-FQEVSTJZSA-N 1 3 373.545 2.562 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637373045 523593465 /nfs/dbraw/zinc/59/34/65/523593465.db2.gz NVKLDJJPNAPMRJ-FQEVSTJZSA-N 1 3 373.545 2.562 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(OC)c1 ZINC000634733876 523621079 /nfs/dbraw/zinc/62/10/79/523621079.db2.gz QDNGEUAEMIFSED-LSDHHAIUSA-N 1 3 363.502 2.789 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CCN1C ZINC000625801748 523699077 /nfs/dbraw/zinc/69/90/77/523699077.db2.gz KPQPLMKDNUTPJQ-MBPVOVBZSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CCN1C ZINC000625801748 523699088 /nfs/dbraw/zinc/69/90/88/523699088.db2.gz KPQPLMKDNUTPJQ-MBPVOVBZSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000637607346 523733151 /nfs/dbraw/zinc/73/31/51/523733151.db2.gz QKJYIDWLDGVCSM-YXYSEUPNSA-N 1 3 372.557 2.736 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000637607346 523733153 /nfs/dbraw/zinc/73/31/53/523733153.db2.gz QKJYIDWLDGVCSM-YXYSEUPNSA-N 1 3 372.557 2.736 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643228167 568026627 /nfs/dbraw/zinc/02/66/27/568026627.db2.gz JGZKTJDSOAPMPW-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643228167 568026629 /nfs/dbraw/zinc/02/66/29/568026629.db2.gz JGZKTJDSOAPMPW-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000825282435 608644158 /nfs/dbraw/zinc/64/41/58/608644158.db2.gz RGSDBAROVJJGHV-UHFFFAOYSA-N 1 3 360.481 2.950 20 0 FFADHO CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000825282435 608644159 /nfs/dbraw/zinc/64/41/59/608644159.db2.gz RGSDBAROVJJGHV-UHFFFAOYSA-N 1 3 360.481 2.950 20 0 FFADHO O[C@H](COCc1cccs1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134928646 728734223 /nfs/dbraw/zinc/73/42/23/728734223.db2.gz PBCONQBJDFNDGV-HHXXYDBFSA-N 1 3 350.528 2.574 20 0 FFADHO O[C@H](COCc1cccs1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134928646 728734224 /nfs/dbraw/zinc/73/42/24/728734224.db2.gz PBCONQBJDFNDGV-HHXXYDBFSA-N 1 3 350.528 2.574 20 0 FFADHO CC(C)(O)C[NH+]1CCC(NCCN2CCc3c(Cl)cccc3C2)CC1 ZINC000639089243 730059064 /nfs/dbraw/zinc/05/90/64/730059064.db2.gz DTHURMRSMBEGJA-UHFFFAOYSA-N 1 3 365.949 2.523 20 0 FFADHO CSc1ccc([C@@H](CNC2CC[NH+](CC(C)(C)O)CC2)N(C)C)cc1 ZINC000639213410 730068743 /nfs/dbraw/zinc/06/87/43/730068743.db2.gz MLAGMFXWIHTJAM-LJQANCHMSA-N 1 3 365.587 2.836 20 0 FFADHO Cc1ncc(CNC(=O)CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000639581560 730088040 /nfs/dbraw/zinc/08/80/40/730088040.db2.gz YCLAZVMAJYBQNV-HOCLYGCPSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1ncc(CNC(=O)CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000639581560 730088042 /nfs/dbraw/zinc/08/80/42/730088042.db2.gz YCLAZVMAJYBQNV-HOCLYGCPSA-N 1 3 364.559 2.700 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC[C@@H]1[NH3+] ZINC000647937057 730775863 /nfs/dbraw/zinc/77/58/63/730775863.db2.gz QFIBFSCYLCNUHP-JSGCOSHPSA-N 1 3 369.893 2.745 20 0 FFADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[NH2+]CCC2(F)F)c2cccs2)CC1 ZINC000649278008 730873829 /nfs/dbraw/zinc/87/38/29/730873829.db2.gz CPTIHBLYSZAKBA-CABCVRRESA-N 1 3 371.497 2.882 20 0 FFADHO CN1CCC[N@H+](CCCNCc2cccc(Br)c2F)CC1 ZINC000649696244 730909733 /nfs/dbraw/zinc/90/97/33/730909733.db2.gz FGKVASPHQHQXDF-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2cccc(Br)c2F)CC1 ZINC000649696244 730909736 /nfs/dbraw/zinc/90/97/36/730909736.db2.gz FGKVASPHQHQXDF-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO O=C(NCCC1CC[NH2+]CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000652119696 731167859 /nfs/dbraw/zinc/16/78/59/731167859.db2.gz UJXXTEKOORZHJJ-MRXNPFEDSA-N 1 3 350.532 2.574 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)N1CC(C)C1 ZINC000654972492 731415656 /nfs/dbraw/zinc/41/56/56/731415656.db2.gz YUWQIGLCBUCIGB-XUWXXGDYSA-N 1 3 367.896 2.928 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)N1CC(C)C1 ZINC000654972492 731415657 /nfs/dbraw/zinc/41/56/57/731415657.db2.gz YUWQIGLCBUCIGB-XUWXXGDYSA-N 1 3 367.896 2.928 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1c(F)cccc1N1CCCC1 ZINC000657573353 731792322 /nfs/dbraw/zinc/79/23/22/731792322.db2.gz JWYPSHACNRLJIZ-KRWDZBQOSA-N 1 3 350.526 2.788 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000660339473 732099162 /nfs/dbraw/zinc/09/91/62/732099162.db2.gz QLGVAPKRZRNLEJ-IAGOWNOFSA-N 1 3 352.548 2.915 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000660339473 732099166 /nfs/dbraw/zinc/09/91/66/732099166.db2.gz QLGVAPKRZRNLEJ-IAGOWNOFSA-N 1 3 352.548 2.915 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876744480 732275599 /nfs/dbraw/zinc/27/55/99/732275599.db2.gz VPTDSPKLXRTVLC-QUCCMNQESA-N 1 3 359.539 2.749 20 0 FFADHO NCc1cn([C@H]2CCC[N@H+](CCSc3cccc(Cl)c3)C2)nn1 ZINC000662284687 732293120 /nfs/dbraw/zinc/29/31/20/732293120.db2.gz ZLASLYPNBGAOTG-HNNXBMFYSA-N 1 3 351.907 2.819 20 0 FFADHO NCc1cn([C@H]2CCC[N@@H+](CCSc3cccc(Cl)c3)C2)nn1 ZINC000662284687 732293123 /nfs/dbraw/zinc/29/31/23/732293123.db2.gz ZLASLYPNBGAOTG-HNNXBMFYSA-N 1 3 351.907 2.819 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc(Cl)n1 ZINC000877426886 732360126 /nfs/dbraw/zinc/36/01/26/732360126.db2.gz SIGWPVBPJQNKII-CJNGLKHVSA-N 1 3 358.873 2.913 20 0 FFADHO COCCN(Cc1cncc(Br)c1C)CC1CC[NH+](C)CC1 ZINC000877664428 732408652 /nfs/dbraw/zinc/40/86/52/732408652.db2.gz ORENIPPJLXHGIC-UHFFFAOYSA-N 1 3 370.335 2.943 20 0 FFADHO CCOc1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc(Cl)c1[O-] ZINC000877671202 732409702 /nfs/dbraw/zinc/40/97/02/732409702.db2.gz SAJTXXRCRMVDAM-HZPDHXFCSA-N 1 3 369.937 2.616 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000664559306 732600178 /nfs/dbraw/zinc/60/01/78/732600178.db2.gz KEUQFDLIHDMLTQ-KBPBESRZSA-N 1 3 356.461 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000664559306 732600180 /nfs/dbraw/zinc/60/01/80/732600180.db2.gz KEUQFDLIHDMLTQ-KBPBESRZSA-N 1 3 356.461 2.597 20 0 FFADHO C[NH+]1CCC2(CCN(C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000878864902 732606128 /nfs/dbraw/zinc/60/61/28/732606128.db2.gz PHAFOXASLIQHIH-MRXNPFEDSA-N 1 3 353.304 2.900 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1F ZINC000665222721 732681946 /nfs/dbraw/zinc/68/19/46/732681946.db2.gz LBPVUTTVELCECT-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1F ZINC000665222721 732681948 /nfs/dbraw/zinc/68/19/48/732681948.db2.gz LBPVUTTVELCECT-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000665357269 732698628 /nfs/dbraw/zinc/69/86/28/732698628.db2.gz IPAZWASVECIUIP-SJORKVTESA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000665357269 732698630 /nfs/dbraw/zinc/69/86/30/732698630.db2.gz IPAZWASVECIUIP-SJORKVTESA-N 1 3 350.482 2.600 20 0 FFADHO COc1c(Cl)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639203 732734981 /nfs/dbraw/zinc/73/49/81/732734981.db2.gz PQLPZYMHRNVWHP-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO COc1c(Cl)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639203 732734983 /nfs/dbraw/zinc/73/49/83/732734983.db2.gz PQLPZYMHRNVWHP-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000665763601 732752790 /nfs/dbraw/zinc/75/27/90/732752790.db2.gz GPVCETXXLNOMPR-YJBOKZPZSA-N 1 3 350.482 2.554 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000665763601 732752795 /nfs/dbraw/zinc/75/27/95/732752795.db2.gz GPVCETXXLNOMPR-YJBOKZPZSA-N 1 3 350.482 2.554 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccccn4)s3)CC2)C1 ZINC000667054046 732937607 /nfs/dbraw/zinc/93/76/07/732937607.db2.gz BNTLLGSBVUWYFH-CRAIPNDOSA-N 1 3 358.511 2.923 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[NH2+]C2CC2)c2cccs2)CC1 ZINC000668644742 733149087 /nfs/dbraw/zinc/14/90/87/733149087.db2.gz RWUHKBDGEJUZCB-MRXNPFEDSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000670128449 733309247 /nfs/dbraw/zinc/30/92/47/733309247.db2.gz QRJZIHXSOWQRCT-KDOFPFPSSA-N 1 3 366.937 2.972 20 0 FFADHO CN(C)[C@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccsc1 ZINC000673864213 733653092 /nfs/dbraw/zinc/65/30/92/733653092.db2.gz IHXRTKQGXZLTSZ-MRXNPFEDSA-N 1 3 356.455 2.753 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000674626066 733719814 /nfs/dbraw/zinc/71/98/14/733719814.db2.gz WFPZGIHQTIHNSP-UHFFFAOYSA-N 1 3 352.548 2.553 20 0 FFADHO CN(Cc1ncccc1C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683221501 734136907 /nfs/dbraw/zinc/13/69/07/734136907.db2.gz PFFPECVZDWPHMW-OAHLLOKOSA-N 1 3 356.436 2.701 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000891349975 734417977 /nfs/dbraw/zinc/41/79/77/734417977.db2.gz YUPOUJDKVRLOHS-GJZGRUSLSA-N 1 3 374.501 2.675 20 0 FFADHO CN1CCC(NC(=S)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000728446688 734528017 /nfs/dbraw/zinc/52/80/17/734528017.db2.gz XSDCEMVWSFWRLH-KRWDZBQOSA-N 1 3 352.592 2.543 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000733753107 734846635 /nfs/dbraw/zinc/84/66/35/734846635.db2.gz GGANLNRWYIVPTB-DLBZAZTESA-N 1 3 352.592 2.542 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000733753107 734846638 /nfs/dbraw/zinc/84/66/38/734846638.db2.gz GGANLNRWYIVPTB-DLBZAZTESA-N 1 3 352.592 2.542 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC[C@@H]1C[C@]1(C)Br ZINC000894523311 734873714 /nfs/dbraw/zinc/87/37/14/734873714.db2.gz VSJNTJJABIDEKM-HOCLYGCPSA-N 1 3 356.308 2.675 20 0 FFADHO [NH3+]CCCC[C@H](NCCNC(=O)c1ccco1)c1ccc(F)cc1F ZINC000902335844 735934153 /nfs/dbraw/zinc/93/41/53/735934153.db2.gz VHEAYQKEAGOUIG-INIZCTEOSA-N 1 3 351.397 2.748 20 0 FFADHO CS(=O)(=O)c1cccc([C@H](N[C@H]2C[C@H](C[NH3+])C2)c2ccc(F)cc2)c1 ZINC000902484787 735951639 /nfs/dbraw/zinc/95/16/39/735951639.db2.gz HOTIOBBIPSYNDI-OMWUSAIZSA-N 1 3 362.470 2.646 20 0 FFADHO CS(=O)(=O)C1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000903156600 736043888 /nfs/dbraw/zinc/04/38/88/736043888.db2.gz VPKZVBPXTYDXBS-UHFFFAOYSA-N 1 3 356.576 2.977 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496565 736102528 /nfs/dbraw/zinc/10/25/28/736102528.db2.gz SNCNYIKBJBDSMF-FRRDWIJNSA-N 1 3 354.292 2.693 20 0 FFADHO COc1ccccc1[C@@H]1CSCCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782191 736166177 /nfs/dbraw/zinc/16/61/77/736166177.db2.gz GSOALRFWGWMVSC-QRFRQXIXSA-N 1 3 362.539 2.944 20 0 FFADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903922548 736188801 /nfs/dbraw/zinc/18/88/01/736188801.db2.gz ZGZOUSPBISBAMI-OWQGQXMQSA-N 1 3 363.893 2.722 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760158859 736618586 /nfs/dbraw/zinc/61/85/86/736618586.db2.gz NDWLPNKBBBMPBD-VXGBXAGGSA-N 1 3 373.328 2.814 20 0 FFADHO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775389247 738089717 /nfs/dbraw/zinc/08/97/17/738089717.db2.gz VOMDOGJRNODHCV-OXJNMPFZSA-N 1 3 350.503 2.729 20 0 FFADHO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775396795 738090253 /nfs/dbraw/zinc/09/02/53/738090253.db2.gz XCSIGELZYJVTHI-QFBILLFUSA-N 1 3 350.503 2.729 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC000932203255 739403987 /nfs/dbraw/zinc/40/39/87/739403987.db2.gz ILDYLNDQQHNGTO-SFHVURJKSA-N 1 3 350.576 2.814 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC000932203255 739403990 /nfs/dbraw/zinc/40/39/90/739403990.db2.gz ILDYLNDQQHNGTO-SFHVURJKSA-N 1 3 350.576 2.814 20 0 FFADHO CCc1nc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000940119131 740148363 /nfs/dbraw/zinc/14/83/63/740148363.db2.gz BFULHNQYPYCFHV-GDBMZVCRSA-N 1 3 364.559 2.516 20 0 FFADHO CCc1nc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000940119131 740148368 /nfs/dbraw/zinc/14/83/68/740148368.db2.gz BFULHNQYPYCFHV-GDBMZVCRSA-N 1 3 364.559 2.516 20 0 FFADHO Cc1cnc(CNC2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000963343928 740651145 /nfs/dbraw/zinc/65/11/45/740651145.db2.gz DJKMZUBZVGXXTO-RDHHWEPZSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1cnc(CNC2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000963343928 740651146 /nfs/dbraw/zinc/65/11/46/740651146.db2.gz DJKMZUBZVGXXTO-RDHHWEPZSA-N 1 3 364.559 2.651 20 0 FFADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cccc(Br)c1 ZINC000802315525 740695421 /nfs/dbraw/zinc/69/54/21/740695421.db2.gz ZPBVAEBFKACXMN-QGZVFWFLSA-N 1 3 353.304 2.947 20 0 FFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)o1 ZINC000810530779 741425229 /nfs/dbraw/zinc/42/52/29/741425229.db2.gz FPHRWVYFMSJCHF-LJQANCHMSA-N 1 3 353.482 2.691 20 0 FFADHO C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000810670746 741439158 /nfs/dbraw/zinc/43/91/58/741439158.db2.gz KISKZNZOUCXKIJ-TWOQFEAHSA-N 1 3 353.526 2.968 20 0 FFADHO C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000810670746 741439159 /nfs/dbraw/zinc/43/91/59/741439159.db2.gz KISKZNZOUCXKIJ-TWOQFEAHSA-N 1 3 353.526 2.968 20 0 FFADHO Cc1ncsc1CN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997597387 742018564 /nfs/dbraw/zinc/01/85/64/742018564.db2.gz USRKKZISNGOZLK-YSVLISHTSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncsc1CN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997597387 742018567 /nfs/dbraw/zinc/01/85/67/742018567.db2.gz USRKKZISNGOZLK-YSVLISHTSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC001022106583 742644531 /nfs/dbraw/zinc/64/45/31/742644531.db2.gz JWKRNWDGSABCJY-UIBIWLFHSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC001022106583 742644535 /nfs/dbraw/zinc/64/45/35/742644535.db2.gz JWKRNWDGSABCJY-UIBIWLFHSA-N 1 3 367.896 2.946 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC001034940027 742936433 /nfs/dbraw/zinc/93/64/33/742936433.db2.gz SRYMYBVILIGPOA-KBRIMQKVSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC001034940027 742936437 /nfs/dbraw/zinc/93/64/37/742936437.db2.gz SRYMYBVILIGPOA-KBRIMQKVSA-N 1 3 367.896 2.900 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000827414738 743571368 /nfs/dbraw/zinc/57/13/68/743571368.db2.gz GPCGGWBVDWYNHG-HZPDHXFCSA-N 1 3 350.894 2.520 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(C/C=C\Cl)C3)C2)CC[N@@H+]1C ZINC001054135883 745003709 /nfs/dbraw/zinc/00/37/09/745003709.db2.gz LFPCAGLLZVPOIH-NVXDLGARSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(C/C=C\Cl)C3)C2)CC[N@H+]1C ZINC001054135883 745003715 /nfs/dbraw/zinc/00/37/15/745003715.db2.gz LFPCAGLLZVPOIH-NVXDLGARSA-N 1 3 353.938 2.784 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc(Cl)n1 ZINC000830142277 745313757 /nfs/dbraw/zinc/31/37/57/745313757.db2.gz OMOKKRIMVDJQRM-KRWDZBQOSA-N 1 3 364.921 2.910 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc(Cl)n1 ZINC000830142277 745313764 /nfs/dbraw/zinc/31/37/64/745313764.db2.gz OMOKKRIMVDJQRM-KRWDZBQOSA-N 1 3 364.921 2.910 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830708932 745412878 /nfs/dbraw/zinc/41/28/78/745412878.db2.gz UTDHIUXGSQNDLK-HOCLYGCPSA-N 1 3 352.910 2.624 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2CC[NH+](CC(C)C)CC2)cc(Cl)n1 ZINC000831799214 745586217 /nfs/dbraw/zinc/58/62/17/745586217.db2.gz SROWVYYVPZDUOP-MRXNPFEDSA-N 1 3 352.910 2.670 20 0 FFADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000838186586 746591794 /nfs/dbraw/zinc/59/17/94/746591794.db2.gz OWGDITIHLOCBGX-GOSISDBHSA-N 1 3 355.523 2.851 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(CCC[NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000841850190 747475525 /nfs/dbraw/zinc/47/55/25/747475525.db2.gz CMOAVLUNXDFWIE-KRWDZBQOSA-N 1 3 360.889 2.811 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC[NH2+]C2CCCCCC2)cc(Cl)n1 ZINC000841849149 747475813 /nfs/dbraw/zinc/47/58/13/747475813.db2.gz XNCZEJXYDGGZNC-INIZCTEOSA-N 1 3 352.910 2.862 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(CCC[NH3+])CC2CCCC2)cc(Cl)n1 ZINC000841850492 747476598 /nfs/dbraw/zinc/47/65/98/747476598.db2.gz BOPFYVMUVGBTHC-INIZCTEOSA-N 1 3 352.910 2.801 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(Cl)n1 ZINC000844185496 747984192 /nfs/dbraw/zinc/98/41/92/747984192.db2.gz KOPQXNGOPKCXBT-WTXIUTQJSA-N 1 3 350.894 2.565 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(Cl)n1 ZINC000844185496 747984194 /nfs/dbraw/zinc/98/41/94/747984194.db2.gz KOPQXNGOPKCXBT-WTXIUTQJSA-N 1 3 350.894 2.565 20 0 FFADHO Cc1cc([C@H]([NH3+])CC(=O)N2CCN(C)CC23CCCCC3)cc(Cl)n1 ZINC000844190502 747984954 /nfs/dbraw/zinc/98/49/54/747984954.db2.gz IPYYRTRGOIWUOV-MRXNPFEDSA-N 1 3 364.921 2.910 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1Br ZINC000849066753 749044197 /nfs/dbraw/zinc/04/41/97/749044197.db2.gz PTNCFFQVULUWKB-CQSZACIVSA-N 1 3 353.308 2.590 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Br)cc1F ZINC000849101023 749051264 /nfs/dbraw/zinc/05/12/64/749051264.db2.gz VINITGKDFMNZEW-AWEZNQCLSA-N 1 3 371.298 2.729 20 0 FFADHO CC(C)C[C@@H](N)C[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000849352662 749109659 /nfs/dbraw/zinc/10/96/59/749109659.db2.gz OXRAQLVQBROULI-HZPDHXFCSA-N 1 3 363.468 2.873 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC001104938054 971187822 /nfs/dbraw/zinc/18/78/22/971187822.db2.gz NSISNFBXBKBVIR-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCN(C(=O)Nc1ccccc1OCC[NH+](CC)CC)[C@H]1CCN(C)C1 ZINC000665434869 971236944 /nfs/dbraw/zinc/23/69/44/971236944.db2.gz OQIRPQIJCHTURK-KRWDZBQOSA-N 1 3 362.518 2.965 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966728 971374397 /nfs/dbraw/zinc/37/43/97/971374397.db2.gz RSVWGZWNHRRYIL-SQNIBIBYSA-N 1 3 353.526 2.779 20 0 FFADHO Cc1nc(C)c(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)s1 ZINC001105064392 971438003 /nfs/dbraw/zinc/43/80/03/971438003.db2.gz MYKVTWVUVFOSNY-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000896789948 971710128 /nfs/dbraw/zinc/71/01/28/971710128.db2.gz LECRSYVFSMTSSX-NQIIRXRSSA-N 1 3 373.541 2.925 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000896789948 971710134 /nfs/dbraw/zinc/71/01/34/971710134.db2.gz LECRSYVFSMTSSX-NQIIRXRSSA-N 1 3 373.541 2.925 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087992591 971735314 /nfs/dbraw/zinc/73/53/14/971735314.db2.gz BECVGHNBLKKNPE-BAGYTPMASA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087992591 971735319 /nfs/dbraw/zinc/73/53/19/971735319.db2.gz BECVGHNBLKKNPE-BAGYTPMASA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087992735 971736228 /nfs/dbraw/zinc/73/62/28/971736228.db2.gz JKIZTDREOAKHEH-HKBOAZHASA-N 1 3 355.526 2.616 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087992735 971736231 /nfs/dbraw/zinc/73/62/31/971736231.db2.gz JKIZTDREOAKHEH-HKBOAZHASA-N 1 3 355.526 2.616 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001087993603 971739128 /nfs/dbraw/zinc/73/91/28/971739128.db2.gz VDCMBMIDSDURRE-HKBOAZHASA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001087993603 971739133 /nfs/dbraw/zinc/73/91/33/971739133.db2.gz VDCMBMIDSDURRE-HKBOAZHASA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)(C)n1nnc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000660486922 972039183 /nfs/dbraw/zinc/03/91/83/972039183.db2.gz LNPNWPSHZVKLGJ-GOSISDBHSA-N 1 3 370.545 2.861 20 0 FFADHO CC(C)(C)n1nnc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000660486922 972039192 /nfs/dbraw/zinc/03/91/92/972039192.db2.gz LNPNWPSHZVKLGJ-GOSISDBHSA-N 1 3 370.545 2.861 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C2 ZINC000652117194 972154635 /nfs/dbraw/zinc/15/46/35/972154635.db2.gz ILAZVHMOVQEEMD-ZJOUEHCJSA-N 1 3 356.514 2.594 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](CCC3CC3)C2)C1=O ZINC001275896546 1013158281 /nfs/dbraw/zinc/15/82/81/1013158281.db2.gz YTXIUGOGSFUZHN-UNMCSNQZSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](CCC3CC3)C2)C1=O ZINC001275896546 1013158286 /nfs/dbraw/zinc/15/82/86/1013158286.db2.gz YTXIUGOGSFUZHN-UNMCSNQZSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000654729429 958849376 /nfs/dbraw/zinc/84/93/76/958849376.db2.gz GJURJPYTGDCAJR-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000654729429 958849384 /nfs/dbraw/zinc/84/93/84/958849384.db2.gz GJURJPYTGDCAJR-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000654734505 958867680 /nfs/dbraw/zinc/86/76/80/958867680.db2.gz HVLSIQCMSSNWFT-GBESFXJTSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000654734505 958867700 /nfs/dbraw/zinc/86/77/00/958867700.db2.gz HVLSIQCMSSNWFT-GBESFXJTSA-N 1 3 362.493 2.745 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc(C)cc3C)C2)CC[N@@H+]1C ZINC000969706256 959787039 /nfs/dbraw/zinc/78/70/39/959787039.db2.gz KDZXKWIAJRKZRF-DZFGPLHGSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc(C)cc3C)C2)CC[N@H+]1C ZINC000969706256 959787047 /nfs/dbraw/zinc/78/70/47/959787047.db2.gz KDZXKWIAJRKZRF-DZFGPLHGSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1cc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc(N2CCN(C(C)C)CC2)c1 ZINC000655610649 960872815 /nfs/dbraw/zinc/87/28/15/960872815.db2.gz OUOIKJLBOZHWOD-RBBKRZOGSA-N 1 3 370.541 2.854 20 0 FFADHO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000655826143 961469146 /nfs/dbraw/zinc/46/91/46/961469146.db2.gz FJVZDCBWUAZLNR-FUMNGEBKSA-N 1 3 365.525 2.563 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001095417194 1013320242 /nfs/dbraw/zinc/32/02/42/1013320242.db2.gz JNVAZMPBBVANAC-YSHGAJCASA-N 1 3 351.510 2.722 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001095417194 1013320249 /nfs/dbraw/zinc/32/02/49/1013320249.db2.gz JNVAZMPBBVANAC-YSHGAJCASA-N 1 3 351.510 2.722 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CCNC/C(Cl)=C/Cl ZINC001104291773 962342443 /nfs/dbraw/zinc/34/24/43/962342443.db2.gz VCHQLHAHGBWPOI-PPEOORTCSA-N 1 3 362.345 2.720 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)sn1 ZINC001104294242 962375992 /nfs/dbraw/zinc/37/59/92/962375992.db2.gz FCIPRRAWZZJEMZ-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000649309565 1013339956 /nfs/dbraw/zinc/33/99/56/1013339956.db2.gz XAHLJIVKLVSSPS-TWMKSMIVSA-N 1 3 369.431 2.670 20 0 FFADHO Cc1cc2c(cc1F)nc1c(c2N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000656219217 962778070 /nfs/dbraw/zinc/77/80/70/962778070.db2.gz PPHRFVPULYJTCK-LSDHHAIUSA-N 1 3 355.457 2.816 20 0 FFADHO Cc1cc2c(cc1F)nc1c(c2N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000656219217 962778086 /nfs/dbraw/zinc/77/80/86/962778086.db2.gz PPHRFVPULYJTCK-LSDHHAIUSA-N 1 3 355.457 2.816 20 0 FFADHO Cc1cncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001104322387 963287146 /nfs/dbraw/zinc/28/71/46/963287146.db2.gz GKAGHCYKYYUMGK-RLLQIKCJSA-N 1 3 360.546 2.550 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001104322621 963290662 /nfs/dbraw/zinc/29/06/62/963290662.db2.gz UYPFBWULMBUNOR-POAQFYNOSA-N 1 3 363.521 2.986 20 0 FFADHO CC(C)[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(=O)N1CCCC1 ZINC000089723605 963521351 /nfs/dbraw/zinc/52/13/51/963521351.db2.gz XBHCLQCSUQBUCF-PXNSSMCTSA-N 1 3 361.530 2.925 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218770 1013432130 /nfs/dbraw/zinc/43/21/30/1013432130.db2.gz QJOTZPZVHXYNFI-UHFFFAOYSA-N 1 3 367.501 2.584 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000960643869 1013436849 /nfs/dbraw/zinc/43/68/49/1013436849.db2.gz OBSKWOZAZSBHQR-SLFFLAALSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000960643869 1013436853 /nfs/dbraw/zinc/43/68/53/1013436853.db2.gz OBSKWOZAZSBHQR-SLFFLAALSA-N 1 3 361.505 2.979 20 0 FFADHO CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCC2 ZINC000873247942 1013447172 /nfs/dbraw/zinc/44/71/72/1013447172.db2.gz WSMQZZQROCBHLU-INIZCTEOSA-N 1 3 368.510 2.912 20 0 FFADHO CCOc1cccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873247147 1013447670 /nfs/dbraw/zinc/44/76/70/1013447670.db2.gz ISSZIIJBGPZEMY-HNNXBMFYSA-N 1 3 351.454 2.976 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001104362901 964088324 /nfs/dbraw/zinc/08/83/24/964088324.db2.gz OULYJAMDJVNPKS-GDBMZVCRSA-N 1 3 359.505 2.836 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)ns2)C1 ZINC001104363084 964092632 /nfs/dbraw/zinc/09/26/32/964092632.db2.gz YKBZVDMOWGRKHA-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC000971566443 964179673 /nfs/dbraw/zinc/17/96/73/964179673.db2.gz FUOZJUXKKHMGTG-HSALFYBXSA-N 1 3 361.505 2.919 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC000971566443 964179681 /nfs/dbraw/zinc/17/96/81/964179681.db2.gz FUOZJUXKKHMGTG-HSALFYBXSA-N 1 3 361.505 2.919 20 0 FFADHO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000684390906 964258336 /nfs/dbraw/zinc/25/83/36/964258336.db2.gz KCDRQQZQHPPAHS-UXHICEINSA-N 1 3 359.514 2.559 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001022106978 964300487 /nfs/dbraw/zinc/30/04/87/964300487.db2.gz OAQGVUFMMVOMCD-YXZFYNSTSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001022106978 964300497 /nfs/dbraw/zinc/30/04/97/964300497.db2.gz OAQGVUFMMVOMCD-YXZFYNSTSA-N 1 3 365.468 2.993 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)N2CCCC2)c1 ZINC000891553673 964478199 /nfs/dbraw/zinc/47/81/99/964478199.db2.gz WMJONLMFXFXFHN-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)c1 ZINC000891553673 964478208 /nfs/dbraw/zinc/47/82/08/964478208.db2.gz WMJONLMFXFXFHN-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO C[C@H](F)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506844 964685932 /nfs/dbraw/zinc/68/59/32/964685932.db2.gz IIXZVRLVWIJRJW-ZWOKBUDYSA-N 1 3 353.526 2.827 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891704435 964907507 /nfs/dbraw/zinc/90/75/07/964907507.db2.gz YGIKMCVPAASRHS-SJLPKXTDSA-N 1 3 359.518 2.520 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664714486 965026588 /nfs/dbraw/zinc/02/65/88/965026588.db2.gz ABJFGJRNYNAKFY-PZJWPPBQSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664714486 965026596 /nfs/dbraw/zinc/02/65/96/965026596.db2.gz ABJFGJRNYNAKFY-PZJWPPBQSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664714484 965026876 /nfs/dbraw/zinc/02/68/76/965026876.db2.gz ABJFGJRNYNAKFY-CTNGQTDRSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664714484 965026888 /nfs/dbraw/zinc/02/68/88/965026888.db2.gz ABJFGJRNYNAKFY-CTNGQTDRSA-N 1 3 358.530 2.777 20 0 FFADHO c1ccc([C@@H]2[NH2+]CCC[C@H]2c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001211847815 965146057 /nfs/dbraw/zinc/14/60/57/965146057.db2.gz HOPSTOKVRQLUDK-APWZRJJASA-N 1 3 361.449 2.986 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC000983713393 965815129 /nfs/dbraw/zinc/81/51/29/965815129.db2.gz KFOUBJZVEFPZDZ-OWIUFQIYSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC000983713393 965815142 /nfs/dbraw/zinc/81/51/42/965815142.db2.gz KFOUBJZVEFPZDZ-OWIUFQIYSA-N 1 3 365.468 2.680 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001167986302 965891537 /nfs/dbraw/zinc/89/15/37/965891537.db2.gz CJWPUVGRXZJZIF-GQKVTARPSA-N 1 3 361.530 2.847 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001167986302 965891544 /nfs/dbraw/zinc/89/15/44/965891544.db2.gz CJWPUVGRXZJZIF-GQKVTARPSA-N 1 3 361.530 2.847 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000892120261 966015656 /nfs/dbraw/zinc/01/56/56/966015656.db2.gz TXRVHNIASZTMAI-FQEVSTJZSA-N 1 3 358.530 2.781 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000894884970 966080567 /nfs/dbraw/zinc/08/05/67/966080567.db2.gz NCZBLLDQVYMKPK-DYESRHJHSA-N 1 3 370.541 2.966 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC001167558281 966342411 /nfs/dbraw/zinc/34/24/11/966342411.db2.gz LAAUOHHQPQCDRV-WSTZPKSXSA-N 1 3 354.535 2.525 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC001167558281 966342422 /nfs/dbraw/zinc/34/24/22/966342422.db2.gz LAAUOHHQPQCDRV-WSTZPKSXSA-N 1 3 354.535 2.525 20 0 FFADHO CCCN(C)C[C@H]1CC[N@H+](C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC001167558281 966342430 /nfs/dbraw/zinc/34/24/30/966342430.db2.gz LAAUOHHQPQCDRV-WSTZPKSXSA-N 1 3 354.535 2.525 20 0 FFADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC001167558281 966342439 /nfs/dbraw/zinc/34/24/39/966342439.db2.gz LAAUOHHQPQCDRV-WSTZPKSXSA-N 1 3 354.535 2.525 20 0 FFADHO CC(C)OCC[NH+]1CCC(NCc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657382089 966355359 /nfs/dbraw/zinc/35/53/59/966355359.db2.gz AJMGXBQZMQZIBK-OAQYLSRUSA-N 1 3 362.514 2.833 20 0 FFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657400373 966408307 /nfs/dbraw/zinc/40/83/07/966408307.db2.gz LHAFGFJEIUJFBT-FDFHNCONSA-N 1 3 374.525 2.712 20 0 FFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001087213493 966594865 /nfs/dbraw/zinc/59/48/65/966594865.db2.gz XUSIRCURGRPBHZ-QYZOEREBSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000657698973 967094417 /nfs/dbraw/zinc/09/44/17/967094417.db2.gz ZRLAQDDLXDHNKE-UHFFFAOYSA-N 1 3 357.542 2.859 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000664976854 967133879 /nfs/dbraw/zinc/13/38/79/967133879.db2.gz NYTXBUYSENCUDT-HNAYVOBHSA-N 1 3 364.509 2.774 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC000664976854 967133886 /nfs/dbraw/zinc/13/38/86/967133886.db2.gz NYTXBUYSENCUDT-HNAYVOBHSA-N 1 3 364.509 2.774 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3nccc4c3CCCC4)CC2)CC1 ZINC000894977218 967139220 /nfs/dbraw/zinc/13/92/20/967139220.db2.gz IEVFSUWBKOHONM-UHFFFAOYSA-N 1 3 356.558 2.952 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3nccc4c3CCCC4)CC2)CC1 ZINC000894977218 967139231 /nfs/dbraw/zinc/13/92/31/967139231.db2.gz IEVFSUWBKOHONM-UHFFFAOYSA-N 1 3 356.558 2.952 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978571 967195895 /nfs/dbraw/zinc/19/58/95/967195895.db2.gz UYFLQYWBVPQFQW-TYPHKJRUSA-N 1 3 357.542 2.754 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCc2c1cc(F)cc2F ZINC001267241926 967387973 /nfs/dbraw/zinc/38/79/73/967387973.db2.gz QCJKNFOSJSVGBN-MUKKUYKPSA-N 1 3 365.468 2.730 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCc2c1cc(F)cc2F ZINC001267241926 967387982 /nfs/dbraw/zinc/38/79/82/967387982.db2.gz QCJKNFOSJSVGBN-MUKKUYKPSA-N 1 3 365.468 2.730 20 0 FFADHO COc1ccc([C@H](CC(C)C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000647288122 967436095 /nfs/dbraw/zinc/43/60/95/967436095.db2.gz MIMLDMPRPMCJKV-QUCCMNQESA-N 1 3 361.530 2.959 20 0 FFADHO COc1ccc([C@H](CC(C)C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000647288122 967436104 /nfs/dbraw/zinc/43/61/04/967436104.db2.gz MIMLDMPRPMCJKV-QUCCMNQESA-N 1 3 361.530 2.959 20 0 FFADHO Cc1ncsc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001087236115 967461786 /nfs/dbraw/zinc/46/17/86/967461786.db2.gz ITBRUZIHESOGPT-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001087236115 967461794 /nfs/dbraw/zinc/46/17/94/967461794.db2.gz ITBRUZIHESOGPT-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000650724806 967608311 /nfs/dbraw/zinc/60/83/11/967608311.db2.gz MYIYXUHUPMNFAQ-NJDAHSKKSA-N 1 3 372.488 2.931 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@@H](CN1CCOCC1)c1ccccc1C ZINC000650757996 967723823 /nfs/dbraw/zinc/72/38/23/967723823.db2.gz GLOHCLNQQKDMOC-QFIPXVFZSA-N 1 3 353.510 2.878 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001023377414 967756839 /nfs/dbraw/zinc/75/68/39/967756839.db2.gz LDNOYCBFPRFLGM-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001023377414 967756844 /nfs/dbraw/zinc/75/68/44/967756844.db2.gz LDNOYCBFPRFLGM-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@@H+]1Cc1c(C)noc1C ZINC001087642531 968456311 /nfs/dbraw/zinc/45/63/11/968456311.db2.gz UOSHOERPTHGTKQ-RBUKOAKNSA-N 1 3 367.453 2.722 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@H+]1Cc1c(C)noc1C ZINC001087642531 968456315 /nfs/dbraw/zinc/45/63/15/968456315.db2.gz UOSHOERPTHGTKQ-RBUKOAKNSA-N 1 3 367.453 2.722 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892450037 968833712 /nfs/dbraw/zinc/83/37/12/968833712.db2.gz FJPQVGGOGUPFKT-KESTWPANSA-N 1 3 358.530 2.730 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001024447740 968915943 /nfs/dbraw/zinc/91/59/43/968915943.db2.gz ZZOLWYVITZZXEY-NSISKUIASA-N 1 3 361.505 2.967 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc(CF)cc2)CC[N@H+]1C ZINC001024447740 968915952 /nfs/dbraw/zinc/91/59/52/968915952.db2.gz ZZOLWYVITZZXEY-NSISKUIASA-N 1 3 361.505 2.967 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2cnccc2N(C)C)CCN1Cc1oc(C)nc1C ZINC001087799296 969114228 /nfs/dbraw/zinc/11/42/28/969114228.db2.gz MUHLWLDRHATSHU-DLBZAZTESA-N 1 3 371.485 2.535 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2cnccc2N(C)C)CC[N@@H+]1Cc1oc(C)nc1C ZINC001087799296 969114233 /nfs/dbraw/zinc/11/42/33/969114233.db2.gz MUHLWLDRHATSHU-DLBZAZTESA-N 1 3 371.485 2.535 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2cnccc2N(C)C)CC[N@H+]1Cc1oc(C)nc1C ZINC001087799296 969114236 /nfs/dbraw/zinc/11/42/36/969114236.db2.gz MUHLWLDRHATSHU-DLBZAZTESA-N 1 3 371.485 2.535 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C/C=C/c1ccccc1 ZINC001087799153 969114503 /nfs/dbraw/zinc/11/45/03/969114503.db2.gz GGUKNOGZTRPLFZ-XCBOUCJHSA-N 1 3 353.510 2.765 20 0 FFADHO CC(C)[NH+](CCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C(C)C ZINC000659037897 969650732 /nfs/dbraw/zinc/65/07/32/969650732.db2.gz ZFHLWRRDCUIGQW-LJQANCHMSA-N 1 3 362.518 2.978 20 0 FFADHO C[N@H+](CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCCC1 ZINC000659038983 969658039 /nfs/dbraw/zinc/65/80/39/969658039.db2.gz XKZDHUJNZRNTAT-IBGZPJMESA-N 1 3 360.502 2.734 20 0 FFADHO C[N@@H+](CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCCC1 ZINC000659038983 969658042 /nfs/dbraw/zinc/65/80/42/969658042.db2.gz XKZDHUJNZRNTAT-IBGZPJMESA-N 1 3 360.502 2.734 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659043388 969660276 /nfs/dbraw/zinc/66/02/76/969660276.db2.gz ZQOHNYGEQLASEJ-APWZRJJASA-N 1 3 360.502 2.589 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)c2ccccc2O1 ZINC000659286288 969799383 /nfs/dbraw/zinc/79/93/83/969799383.db2.gz XDXQIAAZPOIINU-AEFFLSMTSA-N 1 3 351.450 2.577 20 0 FFADHO CC(C)C[C@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000659470125 969959039 /nfs/dbraw/zinc/95/90/39/969959039.db2.gz WHXTUAZOZODTNQ-JCHJZTRSSA-N 1 3 364.509 2.833 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)[C@@H]1c1ccccc1 ZINC000659473589 969970306 /nfs/dbraw/zinc/97/03/06/969970306.db2.gz KOMIEUIDOSSJRU-HKBOAZHASA-N 1 3 370.541 2.853 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCc1cccs1 ZINC001104676552 970084785 /nfs/dbraw/zinc/08/47/85/970084785.db2.gz PMABJWAAYXYOOX-FGTMMUONSA-N 1 3 363.571 2.849 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCOCC2)C1)N(C)C ZINC001104690338 970110053 /nfs/dbraw/zinc/11/00/53/970110053.db2.gz FFJYWDKXJGQREE-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO CCn1cc(CN[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000892942221 970396464 /nfs/dbraw/zinc/39/64/64/970396464.db2.gz UPHCXTTVQSSWTJ-INIZCTEOSA-N 1 3 359.493 2.953 20 0 FFADHO CCOCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753524 970660646 /nfs/dbraw/zinc/66/06/46/970660646.db2.gz FHHSSCHHXIRWIP-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO COCC(=O)NC1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168054708 973036013 /nfs/dbraw/zinc/03/60/13/973036013.db2.gz SZYBSOGAGNMPTP-QZTJIDSGSA-N 1 3 373.541 2.655 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660937855 973201539 /nfs/dbraw/zinc/20/15/39/973201539.db2.gz IQEBZFDKKMHGCZ-LPHOPBHVSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660937855 973201544 /nfs/dbraw/zinc/20/15/44/973201544.db2.gz IQEBZFDKKMHGCZ-LPHOPBHVSA-N 1 3 373.545 2.779 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000897156864 973391445 /nfs/dbraw/zinc/39/14/45/973391445.db2.gz AUVDCVFVSZWIPT-NLPFYKDJSA-N 1 3 361.530 2.971 20 0 FFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210687 973663535 /nfs/dbraw/zinc/66/35/35/973663535.db2.gz WJEGLRKNRFIGTC-DBVUQKKJSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210687 973663538 /nfs/dbraw/zinc/66/35/38/973663538.db2.gz WJEGLRKNRFIGTC-DBVUQKKJSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000665637843 973783075 /nfs/dbraw/zinc/78/30/75/973783075.db2.gz QPTNPGITTJSTLG-INIZCTEOSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000665637843 973783083 /nfs/dbraw/zinc/78/30/83/973783083.db2.gz QPTNPGITTJSTLG-INIZCTEOSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H]1CC(N2CCN(CC(C)(C)O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168066335 973879749 /nfs/dbraw/zinc/87/97/49/973879749.db2.gz NZBBIXWLRTVJII-RTBURBONSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662800437 974121583 /nfs/dbraw/zinc/12/15/83/974121583.db2.gz DIOVOOILUWNLRJ-INIZCTEOSA-N 1 3 364.493 2.683 20 0 FFADHO C[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)CC1 ZINC001211666941 974153941 /nfs/dbraw/zinc/15/39/41/974153941.db2.gz PGKDMJHGOUAWEW-VYDDFXDLSA-N 1 3 361.917 2.665 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2oc(C)nc2C)C(C)C)CC[N@@H+]1C ZINC001481350667 974286077 /nfs/dbraw/zinc/28/60/77/974286077.db2.gz ORXQELWUCAGVEM-ZWKOTPCHSA-N 1 3 364.534 2.738 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2oc(C)nc2C)C(C)C)CC[N@H+]1C ZINC001481350667 974286086 /nfs/dbraw/zinc/28/60/86/974286086.db2.gz ORXQELWUCAGVEM-ZWKOTPCHSA-N 1 3 364.534 2.738 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000652193058 974691487 /nfs/dbraw/zinc/69/14/87/974691487.db2.gz UJBHQWBHVHIWAG-UWJYYQICSA-N 1 3 366.509 2.868 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000652288009 974774311 /nfs/dbraw/zinc/77/43/11/974774311.db2.gz QJIDHLJPBVIWQS-OAQYLSRUSA-N 1 3 366.509 2.822 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653140115 1014235742 /nfs/dbraw/zinc/23/57/42/1014235742.db2.gz NVXLMWSLMMSXCK-INIZCTEOSA-N 1 3 371.447 2.985 20 0 FFADHO COc1cccc([C@]2(C)CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC000662310391 975422278 /nfs/dbraw/zinc/42/22/78/975422278.db2.gz JQJHWGCZXSTHSU-FDFHNCONSA-N 1 3 354.494 2.590 20 0 FFADHO COc1cccc([C@]2(C)CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC000662310391 975422280 /nfs/dbraw/zinc/42/22/80/975422280.db2.gz JQJHWGCZXSTHSU-FDFHNCONSA-N 1 3 354.494 2.590 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)cc2)CC1 ZINC000662383595 975466277 /nfs/dbraw/zinc/46/62/77/975466277.db2.gz DLYCBPOIDBHECY-OAQYLSRUSA-N 1 3 364.493 2.607 20 0 FFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000667005607 975615995 /nfs/dbraw/zinc/61/59/95/975615995.db2.gz UTAIYHMPOVGXFR-FGTMMUONSA-N 1 3 369.513 2.803 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662588705 975721975 /nfs/dbraw/zinc/72/19/75/975721975.db2.gz FNSILGPIAXDVEL-RTWAWAEBSA-N 1 3 370.541 2.532 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662588703 975722808 /nfs/dbraw/zinc/72/28/08/975722808.db2.gz FNSILGPIAXDVEL-LEWJYISDSA-N 1 3 370.541 2.532 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C[C@H](C)O1 ZINC000662687260 975825419 /nfs/dbraw/zinc/82/54/19/975825419.db2.gz FYJZXBVZLMLTCG-FUHIMQAGSA-N 1 3 373.541 2.684 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)N2CCCC2)cc1 ZINC000662699527 975840000 /nfs/dbraw/zinc/84/00/00/975840000.db2.gz BSMAYPNPRDYGAE-WMZOPIPTSA-N 1 3 369.431 2.790 20 0 FFADHO c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)nc1C1CC1 ZINC000663425761 975864798 /nfs/dbraw/zinc/86/47/98/975864798.db2.gz SMUQFMXGFZVDBQ-HZPDHXFCSA-N 1 3 368.529 2.651 20 0 FFADHO c1c(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)nc1C1CC1 ZINC000663425761 975864811 /nfs/dbraw/zinc/86/48/11/975864811.db2.gz SMUQFMXGFZVDBQ-HZPDHXFCSA-N 1 3 368.529 2.651 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000663460078 975957509 /nfs/dbraw/zinc/95/75/09/975957509.db2.gz XVHPOZXIBSSOMW-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000663460078 975957516 /nfs/dbraw/zinc/95/75/16/975957516.db2.gz XVHPOZXIBSSOMW-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(-c4cnco4)c3)CC2)CC1 ZINC000667641387 976567203 /nfs/dbraw/zinc/56/72/03/976567203.db2.gz RCBZXUOTIGJBNR-UHFFFAOYSA-N 1 3 368.481 2.630 20 0 FFADHO CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000663696490 976865277 /nfs/dbraw/zinc/86/52/77/976865277.db2.gz QSEIFLSXDIGYLX-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000663696490 976865286 /nfs/dbraw/zinc/86/52/86/976865286.db2.gz QSEIFLSXDIGYLX-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667791841 977037988 /nfs/dbraw/zinc/03/79/88/977037988.db2.gz POQZIRJUUFKQSG-UHFFFAOYSA-N 1 3 365.481 2.645 20 0 FFADHO C[C@@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000667803934 977075436 /nfs/dbraw/zinc/07/54/36/977075436.db2.gz SBDNVALNPJZLIU-AUUYWEPGSA-N 1 3 353.470 2.540 20 0 FFADHO OC[C@H]1CCCCCN1Cc1cncc(C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000653783992 1014448089 /nfs/dbraw/zinc/44/80/89/1014448089.db2.gz AWIKDOZTVVMUNS-NHCUHLMSSA-N 1 3 361.530 2.555 20 0 FFADHO OC[C@H]1CCCCCN1Cc1cncc(C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000653783992 1014448092 /nfs/dbraw/zinc/44/80/92/1014448092.db2.gz AWIKDOZTVVMUNS-NHCUHLMSSA-N 1 3 361.530 2.555 20 0 FFADHO CCN(C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H]1CCN(C)C1 ZINC000664145965 978071350 /nfs/dbraw/zinc/07/13/50/978071350.db2.gz MSNCETUZSFHERQ-YLJYHZDGSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC001268794023 978397582 /nfs/dbraw/zinc/39/75/82/978397582.db2.gz WHRNXBTYDJGXID-HUUCEWRRSA-N 1 3 366.575 2.719 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC001268794023 978397589 /nfs/dbraw/zinc/39/75/89/978397589.db2.gz WHRNXBTYDJGXID-HUUCEWRRSA-N 1 3 366.575 2.719 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2ccc(F)cc2F)C(C)C)CC[N@@H+]1C ZINC001271843947 979141414 /nfs/dbraw/zinc/14/14/14/979141414.db2.gz BHTPBRJUDOYYRW-YTQUADARSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2ccc(F)cc2F)C(C)C)CC[N@H+]1C ZINC001271843947 979141420 /nfs/dbraw/zinc/14/14/20/979141420.db2.gz BHTPBRJUDOYYRW-YTQUADARSA-N 1 3 367.484 2.926 20 0 FFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000877343525 1014555690 /nfs/dbraw/zinc/55/56/90/1014555690.db2.gz MFPAGFAOTYYHPM-QFIPXVFZSA-N 1 3 363.505 2.729 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c(C)s1 ZINC001076244542 979278743 /nfs/dbraw/zinc/27/87/43/979278743.db2.gz SORPMUXRKJHKPK-UCLAIMLFSA-N 1 3 361.555 2.739 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c(C)s1 ZINC001076244542 979278747 /nfs/dbraw/zinc/27/87/47/979278747.db2.gz SORPMUXRKJHKPK-UCLAIMLFSA-N 1 3 361.555 2.739 20 0 FFADHO C[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)CCC[C@@H]1C[NH3+] ZINC001205994020 1032098463 /nfs/dbraw/zinc/09/84/63/1032098463.db2.gz ITNJTZFDIXTQCA-VXGBXAGGSA-N 1 3 355.276 2.985 20 0 FFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000648499201 980933091 /nfs/dbraw/zinc/93/30/91/980933091.db2.gz OYCHQKVERBWYGF-WOJBJXKFSA-N 1 3 359.514 2.559 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000906946861 981179398 /nfs/dbraw/zinc/17/93/98/981179398.db2.gz GESCFQNQHZYJIR-HXUWFJFHSA-N 1 3 373.541 2.951 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000906946861 981179403 /nfs/dbraw/zinc/17/94/03/981179403.db2.gz GESCFQNQHZYJIR-HXUWFJFHSA-N 1 3 373.541 2.951 20 0 FFADHO CN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000668599485 981233043 /nfs/dbraw/zinc/23/30/43/981233043.db2.gz UVAOLQWIHLURBG-PZJWPPBQSA-N 1 3 355.526 2.636 20 0 FFADHO CN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000668599485 981233047 /nfs/dbraw/zinc/23/30/47/981233047.db2.gz UVAOLQWIHLURBG-PZJWPPBQSA-N 1 3 355.526 2.636 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1 ZINC001075906484 981278026 /nfs/dbraw/zinc/27/80/26/981278026.db2.gz MPUITMMVZCBEED-IRFCIJBXSA-N 1 3 371.525 2.602 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@H+]4C)[C@@H]3C2)cc1 ZINC001075906484 981278031 /nfs/dbraw/zinc/27/80/31/981278031.db2.gz MPUITMMVZCBEED-IRFCIJBXSA-N 1 3 371.525 2.602 20 0 FFADHO CCc1cccc(OCCN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)c1 ZINC001088577409 981282343 /nfs/dbraw/zinc/28/23/43/981282343.db2.gz SMSBUFTXEPMUAB-DGQTTZFYSA-N 1 3 373.541 2.547 20 0 FFADHO CCc1cccc(OCCN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)c1 ZINC001088577409 981282348 /nfs/dbraw/zinc/28/23/48/981282348.db2.gz SMSBUFTXEPMUAB-DGQTTZFYSA-N 1 3 373.541 2.547 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000666754717 981355620 /nfs/dbraw/zinc/35/56/20/981355620.db2.gz RZNYTYDOAIQDEF-QFBILLFUSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H](CCNCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482832537 981558367 /nfs/dbraw/zinc/55/83/67/981558367.db2.gz GAJFXQHVDZAZOS-MGPQQGTHSA-N 1 3 355.885 2.804 20 0 FFADHO C[C@H](CCNCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482832537 981558371 /nfs/dbraw/zinc/55/83/71/981558371.db2.gz GAJFXQHVDZAZOS-MGPQQGTHSA-N 1 3 355.885 2.804 20 0 FFADHO Cc1ccccc1-n1nccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707251 1014745902 /nfs/dbraw/zinc/74/59/02/1014745902.db2.gz BUTGTTVKJKCDPV-WAOWUJCRSA-N 1 3 354.498 2.899 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CC[N@@H+]1CCC(C)(C)C ZINC001088620701 981878529 /nfs/dbraw/zinc/87/85/29/981878529.db2.gz XFVXUFZCVTZJHJ-NZSAHSFTSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CC[N@H+]1CCC(C)(C)C ZINC001088620701 981878533 /nfs/dbraw/zinc/87/85/33/981878533.db2.gz XFVXUFZCVTZJHJ-NZSAHSFTSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H](C)c2cccc(OC)c2)CC[N@@H+]1C ZINC001483010037 981979392 /nfs/dbraw/zinc/97/93/92/981979392.db2.gz YQLDIZZXMSOAJC-VVILBBKUSA-N 1 3 359.514 2.749 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H](C)c2cccc(OC)c2)CC[N@H+]1C ZINC001483010037 981979401 /nfs/dbraw/zinc/97/94/01/981979401.db2.gz YQLDIZZXMSOAJC-VVILBBKUSA-N 1 3 359.514 2.749 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000897547991 982167964 /nfs/dbraw/zinc/16/79/64/982167964.db2.gz PBLWRAVSVFTJKV-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000897547991 982167968 /nfs/dbraw/zinc/16/79/68/982167968.db2.gz PBLWRAVSVFTJKV-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000897740079 982506096 /nfs/dbraw/zinc/50/60/96/982506096.db2.gz WCRBSTQQRYEART-WMWLNJEOSA-N 1 3 359.514 2.818 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000897740079 982506103 /nfs/dbraw/zinc/50/61/03/982506103.db2.gz WCRBSTQQRYEART-WMWLNJEOSA-N 1 3 359.514 2.818 20 0 FFADHO C[C@H]([NH2+]C[C@]1(c2cnn(C)c2)CCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000898054086 982607470 /nfs/dbraw/zinc/60/74/70/982607470.db2.gz PSZDAUBOCJVRBL-VCOUNFBDSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](NC[C@]1(c2cnn(C)c2)CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898054086 982607473 /nfs/dbraw/zinc/60/74/73/982607473.db2.gz PSZDAUBOCJVRBL-VCOUNFBDSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](NC[C@]1(c2cnn(C)c2)CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898054086 982607476 /nfs/dbraw/zinc/60/74/76/982607476.db2.gz PSZDAUBOCJVRBL-VCOUNFBDSA-N 1 3 368.525 2.926 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C ZINC001088693000 982794487 /nfs/dbraw/zinc/79/44/87/982794487.db2.gz HVXIPWKKNCTVJL-NZSAHSFTSA-N 1 3 363.571 2.990 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H]1C ZINC001088693000 982794496 /nfs/dbraw/zinc/79/44/96/982794496.db2.gz HVXIPWKKNCTVJL-NZSAHSFTSA-N 1 3 363.571 2.990 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000878383971 1015019304 /nfs/dbraw/zinc/01/93/04/1015019304.db2.gz GIYCVDUYKCPGCF-JBACZVJFSA-N 1 3 360.542 2.933 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4ocnc43)CC2)CC1 ZINC000913507706 984283632 /nfs/dbraw/zinc/28/36/32/984283632.db2.gz XZDZRSIRGQVZQX-UHFFFAOYSA-N 1 3 356.470 2.963 20 0 FFADHO CC(C)OCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402964 984509668 /nfs/dbraw/zinc/50/96/68/984509668.db2.gz VTBLPFCOCAZWEN-QKNQBKEWSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)OCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402964 984509669 /nfs/dbraw/zinc/50/96/69/984509669.db2.gz VTBLPFCOCAZWEN-QKNQBKEWSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107408654 984514103 /nfs/dbraw/zinc/51/41/03/984514103.db2.gz CIIUHSCWQCIAHO-DBXWQHBBSA-N 1 3 365.562 2.647 20 0 FFADHO CO[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107408654 984514109 /nfs/dbraw/zinc/51/41/09/984514109.db2.gz CIIUHSCWQCIAHO-DBXWQHBBSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC1CCC1)CC2 ZINC001107454405 984558965 /nfs/dbraw/zinc/55/89/65/984558965.db2.gz GDIRAHAOQKKFER-WIYYLYMNSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC1CCC1)CC2 ZINC001107454405 984558968 /nfs/dbraw/zinc/55/89/68/984558968.db2.gz GDIRAHAOQKKFER-WIYYLYMNSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2)[NH+]1CCCC1 ZINC001107495701 984596833 /nfs/dbraw/zinc/59/68/33/984596833.db2.gz SQAJQFWPGSGLON-HDWVUVEZSA-N 1 3 353.938 2.974 20 0 FFADHO C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107613905 984817248 /nfs/dbraw/zinc/81/72/48/984817248.db2.gz FDWBHXYVUDTCEU-TZIWHRDSSA-N 1 3 358.530 2.674 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2 ZINC001107620915 984876947 /nfs/dbraw/zinc/87/69/47/984876947.db2.gz FIGRLQXFDSYGSS-SJLPKXTDSA-N 1 3 366.456 2.667 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2 ZINC001107620915 984876972 /nfs/dbraw/zinc/87/69/72/984876972.db2.gz FIGRLQXFDSYGSS-SJLPKXTDSA-N 1 3 366.456 2.667 20 0 FFADHO COc1ccc([C@@H]2C[C@H]([NH2+]CCN3CCN(C(C)C)CC3)CCO2)cc1 ZINC001168599193 985762546 /nfs/dbraw/zinc/76/25/46/985762546.db2.gz YMOJWJASEFBCFI-CTNGQTDRSA-N 1 3 361.530 2.531 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000878744105 1015195316 /nfs/dbraw/zinc/19/53/16/1015195316.db2.gz PBDWBPLASMOJKZ-KRWDZBQOSA-N 1 3 360.502 2.851 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000878744105 1015195326 /nfs/dbraw/zinc/19/53/26/1015195326.db2.gz PBDWBPLASMOJKZ-KRWDZBQOSA-N 1 3 360.502 2.851 20 0 FFADHO Fc1ccccc1COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843121123 986439993 /nfs/dbraw/zinc/43/99/93/986439993.db2.gz FUSLCQGXMYSFIV-HXUWFJFHSA-N 1 3 369.484 2.884 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000913858044 986974070 /nfs/dbraw/zinc/97/40/70/986974070.db2.gz CCJROYKXPDQGGS-VQTJNVASSA-N 1 3 369.513 2.677 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC=C(Cl)Cl)[C@H](C)C1)N(C)C ZINC001106282024 987839736 /nfs/dbraw/zinc/83/97/36/987839736.db2.gz PSXFQRJJCLMPGX-NFAWXSAZSA-N 1 3 350.334 2.576 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@H](C)C1 ZINC001106339420 987982399 /nfs/dbraw/zinc/98/23/99/987982399.db2.gz LAYAXWHQLQSBIA-GDBMZVCRSA-N 1 3 367.484 2.879 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922386821 988543704 /nfs/dbraw/zinc/54/37/04/988543704.db2.gz JBBBHBXERCWLQC-GXRSIYKFSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922386821 988543714 /nfs/dbraw/zinc/54/37/14/988543714.db2.gz JBBBHBXERCWLQC-GXRSIYKFSA-N 1 3 368.525 2.750 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@@H]1C(C)C ZINC000922395312 988545412 /nfs/dbraw/zinc/54/54/12/988545412.db2.gz UYMUXFNNLZOCEQ-IZBJGVDFSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@@H]1C(C)C ZINC000922395312 988545418 /nfs/dbraw/zinc/54/54/18/988545418.db2.gz UYMUXFNNLZOCEQ-IZBJGVDFSA-N 1 3 358.486 2.629 20 0 FFADHO C[C@H](CN[C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C[NH+]1CCCCC1 ZINC000699665427 988562753 /nfs/dbraw/zinc/56/27/53/988562753.db2.gz NOPXYIBUZXEGBL-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H](C[NH2+][C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CN1CCCCC1 ZINC000699665427 988562764 /nfs/dbraw/zinc/56/27/64/988562764.db2.gz NOPXYIBUZXEGBL-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO Cc1ccccc1CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704764 988726230 /nfs/dbraw/zinc/72/62/30/988726230.db2.gz BTJXUTYSEXUDSC-IEBWSBKVSA-N 1 3 354.498 2.578 20 0 FFADHO CC(C)COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729175 988792743 /nfs/dbraw/zinc/79/27/43/988792743.db2.gz LHHOZMWMXVPZEO-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO COCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729407 988800682 /nfs/dbraw/zinc/80/06/82/988800682.db2.gz PLRRPWPYTYZPSW-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCc3ccccc3F)C2)CC[N@@H+]1C ZINC001033098205 988806288 /nfs/dbraw/zinc/80/62/88/988806288.db2.gz CHKBVFHNQNLBCT-CMKODMSKSA-N 1 3 361.505 2.631 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCc3ccccc3F)C2)CC[N@H+]1C ZINC001033098205 988806296 /nfs/dbraw/zinc/80/62/96/988806296.db2.gz CHKBVFHNQNLBCT-CMKODMSKSA-N 1 3 361.505 2.631 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)[C@H](C)C1 ZINC001106784980 989056253 /nfs/dbraw/zinc/05/62/53/989056253.db2.gz RBLKHWHJTGCYCL-WRWLIDTKSA-N 1 3 361.505 2.839 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)[C@@H]1c1ccccc1 ZINC000652174034 1015486003 /nfs/dbraw/zinc/48/60/03/1015486003.db2.gz FUZFFUXZPSEPIA-MOPGFXCFSA-N 1 3 356.445 2.529 20 0 FFADHO Cc1cc(F)ccc1CN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005407765 989762367 /nfs/dbraw/zinc/76/23/67/989762367.db2.gz TWRABXHWPYBBHJ-OXQOHEQNSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1cc(F)ccc1CN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005407765 989762370 /nfs/dbraw/zinc/76/23/70/989762370.db2.gz TWRABXHWPYBBHJ-OXQOHEQNSA-N 1 3 361.505 2.897 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000675112366 990042831 /nfs/dbraw/zinc/04/28/31/990042831.db2.gz HRPYTXVBWAUHFQ-SXLOBPIMSA-N 1 3 358.530 2.821 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346621 1015533806 /nfs/dbraw/zinc/53/38/06/1015533806.db2.gz BMZFVPYRSCGCKY-TUFLPTIASA-N 1 3 373.541 2.814 20 0 FFADHO Cc1ccc(CN2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC3)cc1 ZINC001035710723 990531735 /nfs/dbraw/zinc/53/17/35/990531735.db2.gz PSARYYGCMBWPCK-UYAOXDASSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(CN2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC3)cc1 ZINC001035710723 990531739 /nfs/dbraw/zinc/53/17/39/990531739.db2.gz PSARYYGCMBWPCK-UYAOXDASSA-N 1 3 355.526 2.760 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000676692413 990644191 /nfs/dbraw/zinc/64/41/91/990644191.db2.gz BJCQIXVMDFKVJU-MJGOQNOKSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000920309836 990829820 /nfs/dbraw/zinc/82/98/20/990829820.db2.gz PJYSBSIZCGXPTR-SFHVURJKSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681325 990953251 /nfs/dbraw/zinc/95/32/51/990953251.db2.gz NABKJAWHULPRJB-WHSLLNHNSA-N 1 3 355.526 2.625 20 0 FFADHO C[C@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681325 990953256 /nfs/dbraw/zinc/95/32/56/990953256.db2.gz NABKJAWHULPRJB-WHSLLNHNSA-N 1 3 355.526 2.625 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN([C@@H](C(=O)N1CCCCC1)c1ccccc1)CC2 ZINC000923456087 991151496 /nfs/dbraw/zinc/15/14/96/991151496.db2.gz WCDFLVUFOLSYRM-WOJBJXKFSA-N 1 3 371.525 2.570 20 0 FFADHO N[C@H](CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000237875312 991373852 /nfs/dbraw/zinc/37/38/52/991373852.db2.gz VRDGOIACUHCTRA-FUHWJXTLSA-N 1 3 367.449 2.624 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000446398421 991700369 /nfs/dbraw/zinc/70/03/69/991700369.db2.gz NNTDSOWYDRNIKE-RYRKJORJSA-N 1 3 369.431 2.827 20 0 FFADHO CCCc1ccc2nccc(NC3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000450327779 991941705 /nfs/dbraw/zinc/94/17/05/991941705.db2.gz MUOQFUWGOYSKIT-UHFFFAOYSA-N 1 3 368.525 2.964 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1c1ccccc1F ZINC001079295092 991980673 /nfs/dbraw/zinc/98/06/73/991980673.db2.gz OVULJVWGLZKEMA-DFQSSKMNSA-N 1 3 361.505 2.993 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1C ZINC001079707679 992347802 /nfs/dbraw/zinc/34/78/02/992347802.db2.gz PLTXVCFQMSHUDJ-DUXKGJEZSA-N 1 3 355.526 2.582 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001080188338 992806928 /nfs/dbraw/zinc/80/69/28/992806928.db2.gz DFPDDXISRJILAT-UIFIKXQLSA-N 1 3 355.526 2.806 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001080188338 992806930 /nfs/dbraw/zinc/80/69/30/992806930.db2.gz DFPDDXISRJILAT-UIFIKXQLSA-N 1 3 355.526 2.806 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783076 993337742 /nfs/dbraw/zinc/33/77/42/993337742.db2.gz JKNUYEYDTMDTQP-UWWQBHOKSA-N 1 3 365.468 2.903 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783076 993337748 /nfs/dbraw/zinc/33/77/48/993337748.db2.gz JKNUYEYDTMDTQP-UWWQBHOKSA-N 1 3 365.468 2.903 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cccnc2)C1)N(C)C ZINC001081134468 993691803 /nfs/dbraw/zinc/69/18/03/993691803.db2.gz XMGKEWQKIAYYDN-PWRODBHTSA-N 1 3 366.509 2.506 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC3CC3)C2)C1 ZINC001081178194 993737685 /nfs/dbraw/zinc/73/76/85/993737685.db2.gz KLMOFOYCSVSVAO-VQTJNVASSA-N 1 3 355.526 2.713 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(C)(N4CCC4)CC3)c2cc1C ZINC000880472575 1015843877 /nfs/dbraw/zinc/84/38/77/1015843877.db2.gz UEQQHZSCFMJACP-GOSISDBHSA-N 1 3 356.514 2.574 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291260 994323397 /nfs/dbraw/zinc/32/33/97/994323397.db2.gz JKJSDWCPZIGEBW-WOJBJXKFSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001131512039 994354124 /nfs/dbraw/zinc/35/41/24/994354124.db2.gz KIIAXLHHJAWAOR-BSIFCXSSSA-N 1 3 365.562 2.503 20 0 FFADHO CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001131608799 994455053 /nfs/dbraw/zinc/45/50/53/994455053.db2.gz NTIQEKMCBWAJNU-AABGKKOBSA-N 1 3 365.562 2.647 20 0 FFADHO Cn1cncc1NC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170594143 994654756 /nfs/dbraw/zinc/65/47/56/994654756.db2.gz CGZYEYIRSCYFDU-HXUWFJFHSA-N 1 3 350.466 2.895 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cnc(Cl)s2)C1 ZINC001082507401 994789494 /nfs/dbraw/zinc/78/94/94/994789494.db2.gz PCFYRBGTGZOVKF-YUELXQCFSA-N 1 3 370.950 2.606 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cnc(Cl)s2)C1 ZINC001082507401 994789505 /nfs/dbraw/zinc/78/95/05/994789505.db2.gz PCFYRBGTGZOVKF-YUELXQCFSA-N 1 3 370.950 2.606 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001082544926 994888261 /nfs/dbraw/zinc/88/82/61/994888261.db2.gz YCTNMRNFBJHNBQ-FSPWUOQZSA-N 1 3 364.559 2.571 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2c(C)nsc2C)C1 ZINC001082544926 994888265 /nfs/dbraw/zinc/88/82/65/994888265.db2.gz YCTNMRNFBJHNBQ-FSPWUOQZSA-N 1 3 364.559 2.571 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001082559795 994933244 /nfs/dbraw/zinc/93/32/44/994933244.db2.gz PMWBIFRDRQHYKR-PJSAGSTRSA-N 1 3 367.896 2.756 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001082559591 994933399 /nfs/dbraw/zinc/93/33/99/994933399.db2.gz JYCMLGMLTSFZLP-MAODMQOUSA-N 1 3 357.542 2.568 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001082559784 994934593 /nfs/dbraw/zinc/93/45/93/994934593.db2.gz PJSKBJWYMFRSKG-IPHXSNPTSA-N 1 3 355.526 2.841 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1)N(C)C ZINC001082589007 995001546 /nfs/dbraw/zinc/00/15/46/995001546.db2.gz CKUBYTZRBJIDND-CDHQVMDDSA-N 1 3 360.546 2.790 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCc1ccccc1F ZINC001082663406 995202199 /nfs/dbraw/zinc/20/21/99/995202199.db2.gz MYFSITDGWSOILB-CDHQVMDDSA-N 1 3 359.489 2.637 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC(C)C)CC[N@@H+]1C ZINC001054040785 1015928364 /nfs/dbraw/zinc/92/83/64/1015928364.db2.gz AANASXIOUQZERX-PCCBWWKXSA-N 1 3 357.542 2.916 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC(C)C)CC[N@H+]1C ZINC001054040785 1015928367 /nfs/dbraw/zinc/92/83/67/1015928367.db2.gz AANASXIOUQZERX-PCCBWWKXSA-N 1 3 357.542 2.916 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2)C1)N(C)C ZINC001082748394 995312225 /nfs/dbraw/zinc/31/22/25/995312225.db2.gz JZFZJFIUKLRJEC-OLMNPRSZSA-N 1 3 351.922 2.659 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082740719 995395085 /nfs/dbraw/zinc/39/50/85/995395085.db2.gz DEOWQJYSNMWRAH-HBUWYVDXSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082740719 995395091 /nfs/dbraw/zinc/39/50/91/995395091.db2.gz DEOWQJYSNMWRAH-HBUWYVDXSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC001082741928 995398524 /nfs/dbraw/zinc/39/85/24/995398524.db2.gz KLTLVWWLGTWOKC-GZBFAFLISA-N 1 3 355.935 2.680 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C)s1 ZINC001082782586 995489963 /nfs/dbraw/zinc/48/99/63/995489963.db2.gz GKHNPMGUHWBCJX-ZTFGCOKTSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C)s1 ZINC001082782586 995489965 /nfs/dbraw/zinc/48/99/65/995489965.db2.gz GKHNPMGUHWBCJX-ZTFGCOKTSA-N 1 3 364.559 2.651 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001082783266 995491641 /nfs/dbraw/zinc/49/16/41/995491641.db2.gz MRRYTMNURCZAPB-QRQLOZEOSA-N 1 3 363.571 2.990 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)c1 ZINC001082941807 995877208 /nfs/dbraw/zinc/87/72/08/995877208.db2.gz NEDYNHVLXZNKBL-YLJYHZDGSA-N 1 3 361.505 2.947 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001082943373 995881375 /nfs/dbraw/zinc/88/13/75/995881375.db2.gz GNUTULNGHAVQSJ-AHRSYUTCSA-N 1 3 361.505 2.679 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001082943386 995881507 /nfs/dbraw/zinc/88/15/07/995881507.db2.gz GVKKKPMPYUZKKV-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ncccc2C)CC[N@@H+]1C ZINC001049483293 1016010836 /nfs/dbraw/zinc/01/08/36/1016010836.db2.gz UVPAAYYTTJVLKW-KCLUMXDGSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ncccc2C)CC[N@H+]1C ZINC001049483293 1016010840 /nfs/dbraw/zinc/01/08/40/1016010840.db2.gz UVPAAYYTTJVLKW-KCLUMXDGSA-N 1 3 370.541 2.686 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)[NH+]1CCCCC1 ZINC001084345598 996474070 /nfs/dbraw/zinc/47/40/70/996474070.db2.gz IFMHMDLWISMTGM-IAGOWNOFSA-N 1 3 369.500 2.829 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CC(F)(F)C3)C[C@H]21)N1CCCCC1 ZINC001084345598 996474073 /nfs/dbraw/zinc/47/40/73/996474073.db2.gz IFMHMDLWISMTGM-IAGOWNOFSA-N 1 3 369.500 2.829 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C[C@H]21)N1CCCCC1 ZINC001084345598 996474075 /nfs/dbraw/zinc/47/40/75/996474075.db2.gz IFMHMDLWISMTGM-IAGOWNOFSA-N 1 3 369.500 2.829 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCCc4ccsc4)C[C@H]32)CC[N@@H+]1C ZINC001084355215 996482243 /nfs/dbraw/zinc/48/22/43/996482243.db2.gz MBMHYIWKPYBMCN-NXWXRZEISA-N 1 3 361.555 2.554 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CCCc4ccsc4)C[C@H]32)CC[N@H+]1C ZINC001084355215 996482245 /nfs/dbraw/zinc/48/22/45/996482245.db2.gz MBMHYIWKPYBMCN-NXWXRZEISA-N 1 3 361.555 2.554 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355898 996483141 /nfs/dbraw/zinc/48/31/41/996483141.db2.gz NQJPQXCTSXPNMF-QYRPDUKASA-N 1 3 355.526 2.622 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355898 996483147 /nfs/dbraw/zinc/48/31/47/996483147.db2.gz NQJPQXCTSXPNMF-QYRPDUKASA-N 1 3 355.526 2.622 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCCc3ccccc3)C[C@H]21)N(C)C ZINC001084427696 996527289 /nfs/dbraw/zinc/52/72/89/996527289.db2.gz QQERGMWHZAUPJY-NJYVYQBISA-N 1 3 357.542 2.738 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCCc3ccccc3)C[C@H]21)N(C)C ZINC001084427696 996527295 /nfs/dbraw/zinc/52/72/95/996527295.db2.gz QQERGMWHZAUPJY-NJYVYQBISA-N 1 3 357.542 2.738 20 0 FFADHO C[C@H](F)CCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470760 996581770 /nfs/dbraw/zinc/58/17/70/996581770.db2.gz UZTOXNHLEDTNCL-LZLYRXPVSA-N 1 3 353.526 2.920 20 0 FFADHO C[C@H](F)CCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470760 996581776 /nfs/dbraw/zinc/58/17/76/996581776.db2.gz UZTOXNHLEDTNCL-LZLYRXPVSA-N 1 3 353.526 2.920 20 0 FFADHO O=C(N1C[C@H]2CCN([C@@H]3CCc4ccccc43)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484258 996603689 /nfs/dbraw/zinc/60/36/89/996603689.db2.gz LQGOAAMQHDCHON-HMXCVIKNSA-N 1 3 365.521 2.835 20 0 FFADHO Clc1cncc(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001136992816 997225097 /nfs/dbraw/zinc/22/50/97/997225097.db2.gz QWOILVZYYPFDGW-UHFFFAOYSA-N 1 3 359.905 2.976 20 0 FFADHO COc1ncc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1C ZINC001137003483 997256314 /nfs/dbraw/zinc/25/63/14/997256314.db2.gz RTXQALYUAHXYOM-UXHICEINSA-N 1 3 352.482 2.748 20 0 FFADHO COc1ncc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1C ZINC001137003483 997256327 /nfs/dbraw/zinc/25/63/27/997256327.db2.gz RTXQALYUAHXYOM-UXHICEINSA-N 1 3 352.482 2.748 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(CCCc4ccsc4)C[C@H]32)C1 ZINC001084775738 997286432 /nfs/dbraw/zinc/28/64/32/997286432.db2.gz SERZIUVGKDONTO-GUDVDZBRSA-N 1 3 361.555 2.555 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(CCCc4ccsc4)C[C@H]32)C1 ZINC001084775738 997286441 /nfs/dbraw/zinc/28/64/41/997286441.db2.gz SERZIUVGKDONTO-GUDVDZBRSA-N 1 3 361.555 2.555 20 0 FFADHO CC(C)c1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001084830106 997575461 /nfs/dbraw/zinc/57/54/61/997575461.db2.gz LLPBYYZXRCQWFI-NJDAHSKKSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)c1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001084830106 997575472 /nfs/dbraw/zinc/57/54/72/997575472.db2.gz LLPBYYZXRCQWFI-NJDAHSKKSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)[NH+]1CCCC1 ZINC001084853092 997665995 /nfs/dbraw/zinc/66/59/95/997665995.db2.gz FWVFTEWRYNEKTM-KURKYZTESA-N 1 3 369.500 2.685 20 0 FFADHO CC[C@@H](C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)N(CC)CC ZINC000844163577 997688301 /nfs/dbraw/zinc/68/83/01/997688301.db2.gz DBLYZBANAAAFSR-SFHVURJKSA-N 1 3 361.486 2.654 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000844223278 997712762 /nfs/dbraw/zinc/71/27/62/997712762.db2.gz WBUJBTOYYRVNGX-QGZVFWFLSA-N 1 3 356.514 2.689 20 0 FFADHO CCOC(=O)CC1([NH3+])CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171116358 997779899 /nfs/dbraw/zinc/77/98/99/997779899.db2.gz OFQRBBLZZNCNPE-KRWDZBQOSA-N 1 3 350.890 2.944 20 0 FFADHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171116358 997779914 /nfs/dbraw/zinc/77/99/14/997779914.db2.gz OFQRBBLZZNCNPE-KRWDZBQOSA-N 1 3 350.890 2.944 20 0 FFADHO FC(F)(F)c1ccn([C@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755426 1016178302 /nfs/dbraw/zinc/17/83/02/1016178302.db2.gz GZFHOBQETHAMPM-GJZGRUSLSA-N 1 3 372.435 2.698 20 0 FFADHO C[C@H](NCc1ccc(C[NH3+])cc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000844924298 998231787 /nfs/dbraw/zinc/23/17/87/998231787.db2.gz OJLMQTCSYCHUBR-HRAATJIYSA-N 1 3 357.473 2.664 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@@H]32)c1 ZINC001084962375 998372039 /nfs/dbraw/zinc/37/20/39/998372039.db2.gz LBNDUHFTWGFMRR-HKBOAZHASA-N 1 3 370.541 2.687 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@@H]32)c1 ZINC001084962375 998372046 /nfs/dbraw/zinc/37/20/46/998372046.db2.gz LBNDUHFTWGFMRR-HKBOAZHASA-N 1 3 370.541 2.687 20 0 FFADHO CC[N@@H+]1CCC[C@H](C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001273249689 998531909 /nfs/dbraw/zinc/53/19/09/998531909.db2.gz ZBVPVNDJGWGZHQ-HNNXBMFYSA-N 1 3 361.452 2.595 20 0 FFADHO CC[N@H+]1CCC[C@H](C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001273249689 998531918 /nfs/dbraw/zinc/53/19/18/998531918.db2.gz ZBVPVNDJGWGZHQ-HNNXBMFYSA-N 1 3 361.452 2.595 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1=O)C2 ZINC000903843913 1016254499 /nfs/dbraw/zinc/25/44/99/1016254499.db2.gz WTFXGYNCOIRFKP-GZIXRCOHSA-N 1 3 365.424 2.595 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085092851 998924601 /nfs/dbraw/zinc/92/46/01/998924601.db2.gz SEXAJFGTLJAHMZ-PXDIQIEBSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085092851 998924604 /nfs/dbraw/zinc/92/46/04/998924604.db2.gz SEXAJFGTLJAHMZ-PXDIQIEBSA-N 1 3 353.510 2.574 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](c3nc4ccccc4o3)C2)cnn1C ZINC000903879691 1016282738 /nfs/dbraw/zinc/28/27/38/1016282738.db2.gz HJUMUAXKSNXEEA-SJORKVTESA-N 1 3 367.497 2.867 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccncc2Cl)CC[N@@H+]1C ZINC001085203858 999157804 /nfs/dbraw/zinc/15/78/04/999157804.db2.gz GPFWLDSTRRLYHB-MOIQIXESSA-N 1 3 364.921 2.592 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccncc2Cl)CC[N@H+]1C ZINC001085203858 999157806 /nfs/dbraw/zinc/15/78/06/999157806.db2.gz GPFWLDSTRRLYHB-MOIQIXESSA-N 1 3 364.921 2.592 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(OCC3CCCCC3)CC2)cnn1C ZINC000903889159 1016290247 /nfs/dbraw/zinc/29/02/47/1016290247.db2.gz PHRFMVSYCOSETJ-LJQANCHMSA-N 1 3 362.562 2.907 20 0 FFADHO O=C(CCCc1ccccc1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904462 1016298677 /nfs/dbraw/zinc/29/86/77/1016298677.db2.gz VVYLOLZQUSJNHU-SEJPIABJSA-N 1 3 355.526 2.684 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnoc2C)C1 ZINC001085306572 999330482 /nfs/dbraw/zinc/33/04/82/999330482.db2.gz GRLLQCIUIHMKBA-QXAKKESOSA-N 1 3 362.518 2.622 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnoc2C)C1 ZINC001085306572 999330486 /nfs/dbraw/zinc/33/04/86/999330486.db2.gz GRLLQCIUIHMKBA-QXAKKESOSA-N 1 3 362.518 2.622 20 0 FFADHO CC(C)(C)c1cccc(OCCNCc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903924702 1016308617 /nfs/dbraw/zinc/30/86/17/1016308617.db2.gz HTPKVERHDIXMHM-QGZVFWFLSA-N 1 3 357.502 2.669 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001085352604 999407011 /nfs/dbraw/zinc/40/70/11/999407011.db2.gz ORSQNZRZPIUNCY-KURKYZTESA-N 1 3 364.559 2.923 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2Cl)C1 ZINC001085422525 999497237 /nfs/dbraw/zinc/49/72/37/999497237.db2.gz WHECPIVZYJYGID-MORSLUCNSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2Cl)C1 ZINC001085422525 999497240 /nfs/dbraw/zinc/49/72/40/999497240.db2.gz WHECPIVZYJYGID-MORSLUCNSA-N 1 3 367.896 2.948 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000743077278 999797651 /nfs/dbraw/zinc/79/76/51/999797651.db2.gz BVVNNTLYFRSBEY-GOSISDBHSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000743077278 999797652 /nfs/dbraw/zinc/79/76/52/999797652.db2.gz BVVNNTLYFRSBEY-GOSISDBHSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+]3CC[C@H](C)C3)c(C)c2)CC1 ZINC000744453551 999857876 /nfs/dbraw/zinc/85/78/76/999857876.db2.gz WHTIUJAXFLGUPO-KRWDZBQOSA-N 1 3 373.545 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+]3CC[C@H](C)C3)c(C)c2)CC1 ZINC000744453551 999857877 /nfs/dbraw/zinc/85/78/77/999857877.db2.gz WHTIUJAXFLGUPO-KRWDZBQOSA-N 1 3 373.545 2.600 20 0 FFADHO CC(C)[NH+]1CCN(C2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)CC1 ZINC000677737611 1016370806 /nfs/dbraw/zinc/37/08/06/1016370806.db2.gz IJAOTWAIKJXVFQ-IBGZPJMESA-N 1 3 372.557 2.528 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC1)C2 ZINC001169140011 1000022979 /nfs/dbraw/zinc/02/29/79/1000022979.db2.gz PNURJGQKNNKLKX-YRPNKDGESA-N 1 3 353.510 2.750 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC1)C2 ZINC001169140011 1000022980 /nfs/dbraw/zinc/02/29/80/1000022980.db2.gz PNURJGQKNNKLKX-YRPNKDGESA-N 1 3 353.510 2.750 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)C2 ZINC001169138959 1000025017 /nfs/dbraw/zinc/02/50/17/1000025017.db2.gz KQARICWMMPZEKS-KKKDIUQISA-N 1 3 359.489 2.588 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)C2 ZINC001169138959 1000025018 /nfs/dbraw/zinc/02/50/18/1000025018.db2.gz KQARICWMMPZEKS-KKKDIUQISA-N 1 3 359.489 2.588 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111938 1000025882 /nfs/dbraw/zinc/02/58/82/1000025882.db2.gz RDHAFYJXQAKQHY-QKPAOTATSA-N 1 3 355.548 2.554 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111938 1000025883 /nfs/dbraw/zinc/02/58/83/1000025883.db2.gz RDHAFYJXQAKQHY-QKPAOTATSA-N 1 3 355.548 2.554 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111938 1000025884 /nfs/dbraw/zinc/02/58/84/1000025884.db2.gz RDHAFYJXQAKQHY-QKPAOTATSA-N 1 3 355.548 2.554 20 0 FFADHO CC[NH+]1CCC(N[C@@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001169230475 1000032479 /nfs/dbraw/zinc/03/24/79/1000032479.db2.gz CIWLTXAUWLXEER-FXAWDEMLSA-N 1 3 367.534 2.619 20 0 FFADHO CC(=O)N1CCC[C@@H]([NH+]2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)C1 ZINC001169611551 1000065129 /nfs/dbraw/zinc/06/51/29/1000065129.db2.gz RFDHHHHMTCIKDT-HXUWFJFHSA-N 1 3 370.541 2.769 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565372 1000651155 /nfs/dbraw/zinc/65/11/55/1000651155.db2.gz MPFHJDMMTILQKM-QYZOEREBSA-N 1 3 365.562 2.789 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1C ZINC001109654022 1000789439 /nfs/dbraw/zinc/78/94/39/1000789439.db2.gz ROAURTHRUGPATD-QYZOEREBSA-N 1 3 359.514 2.567 20 0 FFADHO C[C@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109898848 1001134704 /nfs/dbraw/zinc/13/47/04/1001134704.db2.gz GEXWYEBQKQJFED-LMQGHGSNSA-N 1 3 371.525 2.580 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2cc[nH]c2c1 ZINC001109932537 1001167013 /nfs/dbraw/zinc/16/70/13/1001167013.db2.gz LKCMSHUURZNYOT-HOJAQTOUSA-N 1 3 354.498 2.731 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2cc[nH]c2c1 ZINC001109932537 1001167017 /nfs/dbraw/zinc/16/70/17/1001167017.db2.gz LKCMSHUURZNYOT-HOJAQTOUSA-N 1 3 354.498 2.731 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001091737170 1001182008 /nfs/dbraw/zinc/18/20/08/1001182008.db2.gz JXVAQUOEQPDDAD-CBQOVEMMSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001091737170 1001182012 /nfs/dbraw/zinc/18/20/12/1001182012.db2.gz JXVAQUOEQPDDAD-CBQOVEMMSA-N 1 3 370.541 2.625 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001095499109 1016511468 /nfs/dbraw/zinc/51/14/68/1016511468.db2.gz QXMVYRGWFKTKEC-ANULTFPQSA-N 1 3 355.526 2.825 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001095499109 1016511479 /nfs/dbraw/zinc/51/14/79/1016511479.db2.gz QXMVYRGWFKTKEC-ANULTFPQSA-N 1 3 355.526 2.825 20 0 FFADHO CC[NH+]1CCC(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC1 ZINC001182892504 1002090527 /nfs/dbraw/zinc/09/05/27/1002090527.db2.gz VNSQTUHBBKLROG-IBGZPJMESA-N 1 3 365.543 2.625 20 0 FFADHO CC[N@H+](CCCC(=O)N[C@H]1CCCN(C)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183059486 1002149364 /nfs/dbraw/zinc/14/93/64/1002149364.db2.gz YIVCVZSBZMXLQU-MJGOQNOKSA-N 1 3 361.530 2.636 20 0 FFADHO CC[N@@H+](CCCC(=O)N[C@H]1CCCN(C)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183059486 1002149371 /nfs/dbraw/zinc/14/93/71/1002149371.db2.gz YIVCVZSBZMXLQU-MJGOQNOKSA-N 1 3 361.530 2.636 20 0 FFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013163 1002285367 /nfs/dbraw/zinc/28/53/67/1002285367.db2.gz JZVGQLGZYZFVQP-UXPWSPDFSA-N 1 3 353.526 2.779 20 0 FFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013163 1002285374 /nfs/dbraw/zinc/28/53/74/1002285374.db2.gz JZVGQLGZYZFVQP-UXPWSPDFSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001092071241 1002370173 /nfs/dbraw/zinc/37/01/73/1002370173.db2.gz MSRAUFYSJBNIJU-SJBKTWHCSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001092071241 1002370186 /nfs/dbraw/zinc/37/01/86/1002370186.db2.gz MSRAUFYSJBNIJU-SJBKTWHCSA-N 1 3 370.541 2.625 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001092301508 1002631223 /nfs/dbraw/zinc/63/12/23/1002631223.db2.gz LFVYOVLQQODPAD-LMMKCTJWSA-N 1 3 369.500 2.686 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001092301508 1002631224 /nfs/dbraw/zinc/63/12/24/1002631224.db2.gz LFVYOVLQQODPAD-LMMKCTJWSA-N 1 3 369.500 2.686 20 0 FFADHO Cc1cc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)n(C)n1 ZINC000793530829 1003426708 /nfs/dbraw/zinc/42/67/08/1003426708.db2.gz YPCHPPZXKKEHSC-LJQANCHMSA-N 1 3 355.530 2.982 20 0 FFADHO CC[C@@H]1CC(N2CCN(CC[NH3+])CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170466264 1003834074 /nfs/dbraw/zinc/83/40/74/1003834074.db2.gz XCKXVASZPYQRLF-IAGOWNOFSA-N 1 3 368.566 2.519 20 0 FFADHO COc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(Br)c1O ZINC001205602779 1004192271 /nfs/dbraw/zinc/19/22/71/1004192271.db2.gz MIIBIZOWJBZPSF-YPMHNXCESA-N 1 3 357.292 2.970 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC001201415246 1005211418 /nfs/dbraw/zinc/21/14/18/1005211418.db2.gz BDDUVVODKMPDTI-YJSIEXFISA-N 1 3 371.569 2.864 20 0 FFADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1OC(F)F ZINC001201415948 1005212158 /nfs/dbraw/zinc/21/21/58/1005212158.db2.gz IONRAUHMXFWGNM-CVEARBPZSA-N 1 3 370.440 2.764 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cccc(F)c2F)C1 ZINC001488961169 1005380170 /nfs/dbraw/zinc/38/01/70/1005380170.db2.gz MXWJYOMQYDRQBO-GOEBONIOSA-N 1 3 353.457 2.681 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cccc(F)c2F)C1 ZINC001488961169 1005380172 /nfs/dbraw/zinc/38/01/72/1005380172.db2.gz MXWJYOMQYDRQBO-GOEBONIOSA-N 1 3 353.457 2.681 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433966 1005815458 /nfs/dbraw/zinc/81/54/58/1005815458.db2.gz SCNLAVGZVNKBCB-YOEHRIQHSA-N 1 3 369.431 2.954 20 0 FFADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433966 1005815459 /nfs/dbraw/zinc/81/54/59/1005815459.db2.gz SCNLAVGZVNKBCB-YOEHRIQHSA-N 1 3 369.431 2.954 20 0 FFADHO CC[NH+](CC)CC1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851727487 1005909227 /nfs/dbraw/zinc/90/92/27/1005909227.db2.gz OYFNFTTVFOKGSG-GOSISDBHSA-N 1 3 369.550 2.676 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110661253 1006299988 /nfs/dbraw/zinc/29/99/88/1006299988.db2.gz OHXGARILNGDLBN-WTGUMLROSA-N 1 3 365.562 2.788 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110661253 1006299995 /nfs/dbraw/zinc/29/99/95/1006299995.db2.gz OHXGARILNGDLBN-WTGUMLROSA-N 1 3 365.562 2.788 20 0 FFADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000131902904 1006805900 /nfs/dbraw/zinc/80/59/00/1006805900.db2.gz KZFKDLBGYYUBSU-QGZVFWFLSA-N 1 3 363.502 2.726 20 0 FFADHO COc1ccc2nc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2c1 ZINC000855346189 1007295972 /nfs/dbraw/zinc/29/59/72/1007295972.db2.gz RBNBOSLGEXCUOW-HNNXBMFYSA-N 1 3 372.513 2.554 20 0 FFADHO COc1ccc2nc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2c1 ZINC000855346189 1007295981 /nfs/dbraw/zinc/29/59/81/1007295981.db2.gz RBNBOSLGEXCUOW-HNNXBMFYSA-N 1 3 372.513 2.554 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001189871744 1007316916 /nfs/dbraw/zinc/31/69/16/1007316916.db2.gz POAMIQIRGGZFIR-JKSUJKDBSA-N 1 3 363.468 2.984 20 0 FFADHO Cc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001170861291 1007537554 /nfs/dbraw/zinc/53/75/54/1007537554.db2.gz BLUBLAUCSSMFDU-CKEIUWERSA-N 1 3 366.575 2.865 20 0 FFADHO Cc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001170861291 1007537567 /nfs/dbraw/zinc/53/75/67/1007537567.db2.gz BLUBLAUCSSMFDU-CKEIUWERSA-N 1 3 366.575 2.865 20 0 FFADHO Cc1nc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001170863740 1007573647 /nfs/dbraw/zinc/57/36/47/1007573647.db2.gz YDHJZKOOVVCMEV-YSVLISHTSA-N 1 3 366.575 2.865 20 0 FFADHO Cc1nc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C ZINC001170863740 1007573655 /nfs/dbraw/zinc/57/36/55/1007573655.db2.gz YDHJZKOOVVCMEV-YSVLISHTSA-N 1 3 366.575 2.865 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000817970693 1007834986 /nfs/dbraw/zinc/83/49/86/1007834986.db2.gz CLCNEZZKROXXIQ-BRWVUGGUSA-N 1 3 357.498 2.962 20 0 FFADHO COc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1CN1CCCCC1 ZINC000817980317 1007836883 /nfs/dbraw/zinc/83/68/83/1007836883.db2.gz AEXCXBGVPSWTAK-PXNSSMCTSA-N 1 3 361.530 2.710 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC1(NC(=O)OC(C)(C)C)CCCCCC1)C1CC1 ZINC000818955058 1007993508 /nfs/dbraw/zinc/99/35/08/1007993508.db2.gz HJVIDYBHBKNZII-KRWDZBQOSA-N 1 3 369.550 2.649 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC1(NC(=O)OC(C)(C)C)CCCCCC1)C1CC1 ZINC000818955058 1007993514 /nfs/dbraw/zinc/99/35/14/1007993514.db2.gz HJVIDYBHBKNZII-KRWDZBQOSA-N 1 3 369.550 2.649 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819086234 1008030124 /nfs/dbraw/zinc/03/01/24/1008030124.db2.gz ZBXUBZPVCIPADR-RDTXWAMCSA-N 1 3 372.431 2.829 20 0 FFADHO COC(=O)N1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886520780 1008714188 /nfs/dbraw/zinc/71/41/88/1008714188.db2.gz MNVFFLZVIIHSTD-YRPNKDGESA-N 1 3 357.498 2.860 20 0 FFADHO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000886602867 1008768033 /nfs/dbraw/zinc/76/80/33/1008768033.db2.gz BJNBLSATBGLLGS-MSOLQXFVSA-N 1 3 368.481 2.616 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001178172120 1008911862 /nfs/dbraw/zinc/91/18/62/1008911862.db2.gz XJOWDOVPWHDWIB-CVEARBPZSA-N 1 3 358.404 2.895 20 0 FFADHO Clc1ccncc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137233659 1008981192 /nfs/dbraw/zinc/98/11/92/1008981192.db2.gz LLGOUSNQSFSWBF-UHFFFAOYSA-N 1 3 359.905 2.976 20 0 FFADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC001178463609 1008996234 /nfs/dbraw/zinc/99/62/34/1008996234.db2.gz RXOREOIEHNXRPZ-HXUWFJFHSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC001178463609 1008996250 /nfs/dbraw/zinc/99/62/50/1008996250.db2.gz RXOREOIEHNXRPZ-HXUWFJFHSA-N 1 3 370.493 2.950 20 0 FFADHO Cc1nc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001178517940 1009015504 /nfs/dbraw/zinc/01/55/04/1009015504.db2.gz BHTJPGSDKDIBDR-NVXWUHKLSA-N 1 3 366.575 2.866 20 0 FFADHO Cc1nc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C ZINC001178517940 1009015517 /nfs/dbraw/zinc/01/55/17/1009015517.db2.gz BHTJPGSDKDIBDR-NVXWUHKLSA-N 1 3 366.575 2.866 20 0 FFADHO CN1CCC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001136709730 1009029785 /nfs/dbraw/zinc/02/97/85/1009029785.db2.gz VIZDGEMNLKBCEV-SJLPKXTDSA-N 1 3 369.431 2.651 20 0 FFADHO CN1CCC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001136709730 1009029798 /nfs/dbraw/zinc/02/97/98/1009029798.db2.gz VIZDGEMNLKBCEV-SJLPKXTDSA-N 1 3 369.431 2.651 20 0 FFADHO CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001178860647 1009172894 /nfs/dbraw/zinc/17/28/94/1009172894.db2.gz HHIPRNCTCILTNR-MJGOQNOKSA-N 1 3 361.505 2.884 20 0 FFADHO CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001178860647 1009172900 /nfs/dbraw/zinc/17/29/00/1009172900.db2.gz HHIPRNCTCILTNR-MJGOQNOKSA-N 1 3 361.505 2.884 20 0 FFADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c(OC)c1 ZINC000130523296 1009343375 /nfs/dbraw/zinc/34/33/75/1009343375.db2.gz IEHOSYMURSNQQL-INIZCTEOSA-N 1 3 370.497 2.701 20 0 FFADHO CC(C)CCN1CCC([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001206707543 1032396745 /nfs/dbraw/zinc/39/67/45/1032396745.db2.gz KFBTZIXLQNGVOZ-UHFFFAOYSA-N 1 3 371.566 2.970 20 0 FFADHO Cc1ncc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)n1C ZINC001206792684 1032430771 /nfs/dbraw/zinc/43/07/71/1032430771.db2.gz LZZWRIJALMHLOT-UHFFFAOYSA-N 1 3 360.527 2.657 20 0 FFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C2 ZINC000862365039 1009808554 /nfs/dbraw/zinc/80/85/54/1009808554.db2.gz KLZMODLBISUINE-FCLJQHQZSA-N 1 3 367.534 2.915 20 0 FFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C2 ZINC000862365039 1009808566 /nfs/dbraw/zinc/80/85/66/1009808566.db2.gz KLZMODLBISUINE-FCLJQHQZSA-N 1 3 367.534 2.915 20 0 FFADHO C[NH+](C)Cc1ccc(CN2CCC[C@@](C)(O)CC2)c2c1OC(F)(F)O2 ZINC001181409824 1010100921 /nfs/dbraw/zinc/10/09/21/1010100921.db2.gz FKROVANTKQJCJL-QGZVFWFLSA-N 1 3 356.413 2.807 20 0 FFADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCNC12CCC2 ZINC000863541612 1010248341 /nfs/dbraw/zinc/24/83/41/1010248341.db2.gz KFKYJLPBYKVBJO-YJBOKZPZSA-N 1 3 355.482 2.716 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N1CCOC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC001182232273 1010442179 /nfs/dbraw/zinc/44/21/79/1010442179.db2.gz BUNIJXNDQXOVJV-PMACEKPBSA-N 1 3 361.530 2.639 20 0 FFADHO CCCCN(CC)[C@H](C(=O)n1c(C)ncc(C[NH3+])c1=N)c1ccccc1 ZINC001182238021 1010460567 /nfs/dbraw/zinc/46/05/67/1010460567.db2.gz ZQLWUIULRHUCPN-SFHVURJKSA-N 1 3 355.486 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC001093820384 1010592870 /nfs/dbraw/zinc/59/28/70/1010592870.db2.gz JNCJRRCCSKXTSP-YVWKXTFCSA-N 1 3 355.526 2.842 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)nc2)[C@H](C)C1)N(C)C ZINC001093839209 1010609759 /nfs/dbraw/zinc/60/97/59/1010609759.db2.gz DANLACXMZTWCCG-KYJSFNMBSA-N 1 3 366.937 2.505 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001094040404 1010801912 /nfs/dbraw/zinc/80/19/12/1010801912.db2.gz HXKYLTWCOGEBOD-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC001094040177 1010802460 /nfs/dbraw/zinc/80/24/60/1010802460.db2.gz DIIFVFNBWWTRMJ-MBOZVWFJSA-N 1 3 368.525 2.836 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2F)[C@H](C)C1 ZINC001094041098 1010803157 /nfs/dbraw/zinc/80/31/57/1010803157.db2.gz VNSMBURXQUGOPM-BFYDXBDKSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1C ZINC001094040950 1010803795 /nfs/dbraw/zinc/80/37/95/1010803795.db2.gz QRWMKJWOUKNLHG-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1F ZINC001094042165 1010804529 /nfs/dbraw/zinc/80/45/29/1010804529.db2.gz MEFBCSSEDIFDDI-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001094238531 1010982210 /nfs/dbraw/zinc/98/22/10/1010982210.db2.gz UOOJHDVKIGCZBY-FOIQADDNSA-N 1 3 370.497 2.543 20 0 FFADHO Cc1ccccc1CN1CCO[C@@H](C[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000866508735 1011005459 /nfs/dbraw/zinc/00/54/59/1011005459.db2.gz QGERIINHIKWZOH-QFIPXVFZSA-N 1 3 357.542 2.660 20 0 FFADHO C[C@H](c1ccc2ccccc2c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709235 1011041828 /nfs/dbraw/zinc/04/18/28/1011041828.db2.gz JJOUWJLVPQNYEQ-DMSXTEQDSA-N 1 3 351.450 2.768 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001094529315 1011193145 /nfs/dbraw/zinc/19/31/45/1011193145.db2.gz POTCFEJVNYRJJW-NLWGTHIKSA-N 1 3 353.526 2.970 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001094529315 1011193149 /nfs/dbraw/zinc/19/31/49/1011193149.db2.gz POTCFEJVNYRJJW-NLWGTHIKSA-N 1 3 353.526 2.970 20 0 FFADHO CC[C@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2)OC ZINC001110857747 1011241738 /nfs/dbraw/zinc/24/17/38/1011241738.db2.gz PGJBWMRHNPNTEL-MKXGPGLRSA-N 1 3 365.562 2.645 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001094556298 1011287065 /nfs/dbraw/zinc/28/70/65/1011287065.db2.gz LLQOEMREPDRFJL-NLWGTHIKSA-N 1 3 353.526 2.971 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001094556298 1011287069 /nfs/dbraw/zinc/28/70/69/1011287069.db2.gz LLQOEMREPDRFJL-NLWGTHIKSA-N 1 3 353.526 2.971 20 0 FFADHO C[NH+]1CCC(CN2CCN([C@@H]3CCc4cc(F)c(F)cc4C3)CC2)CC1 ZINC001171496087 1011344756 /nfs/dbraw/zinc/34/47/56/1011344756.db2.gz NPRPFYXGOOLEQL-LJQANCHMSA-N 1 3 363.496 2.782 20 0 FFADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)N3CCCC3)CC2)CC1(C)C ZINC001171620143 1011404069 /nfs/dbraw/zinc/40/40/69/1011404069.db2.gz VCTUDXLNSOJIIP-UHFFFAOYSA-N 1 3 350.551 2.908 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645259168 1011406557 /nfs/dbraw/zinc/40/65/57/1011406557.db2.gz NMCACKUYKPJXGX-NHCUHLMSSA-N 1 3 372.557 2.677 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645259168 1011406562 /nfs/dbraw/zinc/40/65/62/1011406562.db2.gz NMCACKUYKPJXGX-NHCUHLMSSA-N 1 3 372.557 2.677 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H](Oc3cc(C(F)(F)F)ncn3)C1)C2 ZINC001172132638 1011635594 /nfs/dbraw/zinc/63/55/94/1011635594.db2.gz MEAFBHLLPAORDL-YJNKXOJESA-N 1 3 370.419 2.964 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H](Oc3cc(C(F)(F)F)ncn3)C1)C2 ZINC001172132638 1011635599 /nfs/dbraw/zinc/63/55/99/1011635599.db2.gz MEAFBHLLPAORDL-YJNKXOJESA-N 1 3 370.419 2.964 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172114258 1011643149 /nfs/dbraw/zinc/64/31/49/1011643149.db2.gz MSHXXLXWXRXQAS-FJIDUMEYSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172114258 1011643156 /nfs/dbraw/zinc/64/31/56/1011643156.db2.gz MSHXXLXWXRXQAS-FJIDUMEYSA-N 1 3 367.534 2.617 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)CCN12 ZINC001172182725 1011658434 /nfs/dbraw/zinc/65/84/34/1011658434.db2.gz NUPVOFLYTQAXSV-XRXFAXGQSA-N 1 3 353.510 2.594 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)CCN12 ZINC001172182725 1011658439 /nfs/dbraw/zinc/65/84/39/1011658439.db2.gz NUPVOFLYTQAXSV-XRXFAXGQSA-N 1 3 353.510 2.594 20 0 FFADHO Cc1cc(N2CCN([C@H]3CCN4C(=O)CC[C@H]4C3)CC2)c2ccccc2[nH+]1 ZINC001172164193 1011677119 /nfs/dbraw/zinc/67/71/19/1011677119.db2.gz UXOWPKVFYRLTEM-ROUUACIJSA-N 1 3 364.493 2.819 20 0 FFADHO COCCC[NH+]1CCC(NC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC001172249827 1011720112 /nfs/dbraw/zinc/72/01/12/1011720112.db2.gz QSWTWCJGAAARTN-UHFFFAOYSA-N 1 3 350.478 2.922 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001221967474 1032591865 /nfs/dbraw/zinc/59/18/65/1032591865.db2.gz FYKGWDWLSAMZAN-AZUAARDMSA-N 1 3 360.546 2.880 20 0 FFADHO COc1ccccc1[C@H](N)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000646603601 1012064703 /nfs/dbraw/zinc/06/47/03/1012064703.db2.gz PYKQJIZDYGJMQK-HXUWFJFHSA-N 1 3 367.493 2.723 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c[nH]c2c1cccc2Cl ZINC001275547729 1012606688 /nfs/dbraw/zinc/60/66/88/1012606688.db2.gz LDSWPEVUNMZSPA-QZTJIDSGSA-N 1 3 374.916 2.948 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870861169 1012610604 /nfs/dbraw/zinc/61/06/04/1012610604.db2.gz GPBZLWIDHTTWIC-UHFFFAOYSA-N 1 3 372.538 2.814 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000647974897 1012649036 /nfs/dbraw/zinc/64/90/36/1012649036.db2.gz ASIABHFNNQJPRU-CHAHAOGTSA-N 1 3 359.558 2.783 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000647977531 1012654221 /nfs/dbraw/zinc/65/42/21/1012654221.db2.gz DBNHWKKRKUBICD-RBUKOAKNSA-N 1 3 365.562 2.554 20 0 FFADHO CC(C)Oc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c1 ZINC001275604005 1012687137 /nfs/dbraw/zinc/68/71/37/1012687137.db2.gz PZROLVWXJUFFKO-WOJBJXKFSA-N 1 3 359.514 2.601 20 0 FFADHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2Cc1cc2ccccc2o1 ZINC001275641361 1012748182 /nfs/dbraw/zinc/74/81/82/1012748182.db2.gz IYZDMIUMMIEWIA-OAQYLSRUSA-N 1 3 355.482 2.951 20 0 FFADHO C[C@@H](NC(=O)C1(N)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648167505 1012766000 /nfs/dbraw/zinc/76/60/00/1012766000.db2.gz WVPSXTFGJIAPDM-UTKZUKDTSA-N 1 3 363.505 2.510 20 0 FFADHO C[C@@H](NC(=O)C1(N)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648167505 1012766015 /nfs/dbraw/zinc/76/60/15/1012766015.db2.gz WVPSXTFGJIAPDM-UTKZUKDTSA-N 1 3 363.505 2.510 20 0 FFADHO c1nnn([C@H]2CCC[C@@H]([NH2+][C@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)n1 ZINC001173733073 1012923845 /nfs/dbraw/zinc/92/38/45/1012923845.db2.gz HZYXYEMXVSOAAP-SSTJLMRISA-N 1 3 366.513 2.657 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173772420 1012972727 /nfs/dbraw/zinc/97/27/27/1012972727.db2.gz XXNYROGQNWFBTK-VQTJNVASSA-N 1 3 372.492 2.892 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173772420 1012972741 /nfs/dbraw/zinc/97/27/41/1012972741.db2.gz XXNYROGQNWFBTK-VQTJNVASSA-N 1 3 372.492 2.892 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000924949735 1017559620 /nfs/dbraw/zinc/55/96/20/1017559620.db2.gz HHNIYACFRJDCPL-SJBKTWHCSA-N 1 3 358.574 2.513 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000679764191 1017618713 /nfs/dbraw/zinc/61/87/13/1017618713.db2.gz HIABTVPVHJIKBB-UHFFFAOYSA-N 1 3 350.507 2.821 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925436928 1017739643 /nfs/dbraw/zinc/73/96/43/1017739643.db2.gz ILDCTGYUZANJRZ-KURKYZTESA-N 1 3 357.502 2.807 20 0 FFADHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)n(C)n1 ZINC000925441026 1017743763 /nfs/dbraw/zinc/74/37/63/1017743763.db2.gz WUJZSNJEWPSOMU-BNDYYXHWSA-N 1 3 362.562 2.919 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097694893 1017804266 /nfs/dbraw/zinc/80/42/66/1017804266.db2.gz JWXCDISGEUZJGB-MLHJIOFPSA-N 1 3 369.500 2.875 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097694893 1017804286 /nfs/dbraw/zinc/80/42/86/1017804286.db2.gz JWXCDISGEUZJGB-MLHJIOFPSA-N 1 3 369.500 2.875 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000680134906 1017804447 /nfs/dbraw/zinc/80/44/47/1017804447.db2.gz NXSWHPTXDBEUKS-UHFFFAOYSA-N 1 3 354.454 2.889 20 0 FFADHO CCn1nc(C)c([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)c1C ZINC000925807652 1017854347 /nfs/dbraw/zinc/85/43/47/1017854347.db2.gz GQBOBQAEPFDNGT-INIZCTEOSA-N 1 3 355.530 2.776 20 0 FFADHO COc1ccnc([C@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000926590499 1018169591 /nfs/dbraw/zinc/16/95/91/1018169591.db2.gz BVFPTOGMUGHOJC-KRWDZBQOSA-N 1 3 355.482 2.768 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000681568538 1018535307 /nfs/dbraw/zinc/53/53/07/1018535307.db2.gz VSUXAHIYQUIYLY-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](CC[C@@H](C)CCCC(C)(C)O)C[C@@H]1CNCCC2 ZINC001222125974 1032772896 /nfs/dbraw/zinc/77/28/96/1032772896.db2.gz ZWOWASLAPAOIKO-WFXMLNOXSA-N 1 3 368.562 2.819 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](CC[C@@H](C)CCCC(C)(C)O)C[C@@H]1CNCCC2 ZINC001222125974 1032772912 /nfs/dbraw/zinc/77/29/12/1032772912.db2.gz ZWOWASLAPAOIKO-WFXMLNOXSA-N 1 3 368.562 2.819 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC3=CCCCC3)CCC2(F)F)CC[N@@H+]1C ZINC001046941093 1018798990 /nfs/dbraw/zinc/79/89/90/1018798990.db2.gz GTYJZIPKHSOVMJ-KBAYOESNSA-N 1 3 369.500 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC3=CCCCC3)CCC2(F)F)CC[N@H+]1C ZINC001046941093 1018798999 /nfs/dbraw/zinc/79/89/99/1018798999.db2.gz GTYJZIPKHSOVMJ-KBAYOESNSA-N 1 3 369.500 2.900 20 0 FFADHO COc1cccc([C@H](C)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001110962550 1019282532 /nfs/dbraw/zinc/28/25/32/1019282532.db2.gz VHIQGLDPCLMYSQ-ZSXHRAQDSA-N 1 3 359.514 2.820 20 0 FFADHO CCC[NH+]1CCC(NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC000690614939 1019488542 /nfs/dbraw/zinc/48/85/42/1019488542.db2.gz AVUOMTRIPJFTCM-QGZVFWFLSA-N 1 3 367.534 2.619 20 0 FFADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000902350591 1020120358 /nfs/dbraw/zinc/12/03/58/1020120358.db2.gz UJEGBUIOVOEQQW-CRAIPNDOSA-N 1 3 359.514 2.773 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC000902430753 1020196406 /nfs/dbraw/zinc/19/64/06/1020196406.db2.gz DNLPXFISQKAQOI-VHJHTJHASA-N 1 3 370.484 2.738 20 0 FFADHO Cc1nc(C)c(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)[nH]1 ZINC000931092534 1020315577 /nfs/dbraw/zinc/31/55/77/1020315577.db2.gz CNDMDCAQKIELFA-IBGZPJMESA-N 1 3 357.502 2.915 20 0 FFADHO Cc1nc(C)c(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)[nH]1 ZINC000931092534 1020315581 /nfs/dbraw/zinc/31/55/81/1020315581.db2.gz CNDMDCAQKIELFA-IBGZPJMESA-N 1 3 357.502 2.915 20 0 FFADHO CN1CCN(c2cc(CN3CCC[C@@]34CCC[NH2+]CC4)ccc2F)CC1 ZINC001222321594 1032893146 /nfs/dbraw/zinc/89/31/46/1032893146.db2.gz ZUFOMKCHXJVKMM-OAQYLSRUSA-N 1 3 360.521 2.686 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC000726275525 1020449878 /nfs/dbraw/zinc/44/98/78/1020449878.db2.gz QLJUEYMCKLMJGT-UHFFFAOYSA-N 1 3 360.546 2.534 20 0 FFADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(NC2=NCCC2)cc1 ZINC000900760311 1020632969 /nfs/dbraw/zinc/63/29/69/1020632969.db2.gz UWROTFPWYRFCLZ-MRXNPFEDSA-N 1 3 370.497 2.522 20 0 FFADHO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900934067 1020734291 /nfs/dbraw/zinc/73/42/91/1020734291.db2.gz MXRKMMMHTOBLEU-UHFFFAOYSA-N 1 3 372.513 2.910 20 0 FFADHO CC(C)[NH+]1CCN(CCCC(=O)Nc2ccc(CN(C)C)c(F)c2)CC1 ZINC000900950465 1020747080 /nfs/dbraw/zinc/74/70/80/1020747080.db2.gz BWVRIRCMCRURLB-UHFFFAOYSA-N 1 3 364.509 2.632 20 0 FFADHO C[NH+](C)CC[C@@H](NC1CCN(Cc2ccncc2)CC1)c1cccnc1 ZINC000903383776 1020816427 /nfs/dbraw/zinc/81/64/27/1020816427.db2.gz ONMFPYUGHUBMLJ-OAQYLSRUSA-N 1 3 353.514 2.724 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098395160 1020871197 /nfs/dbraw/zinc/87/11/97/1020871197.db2.gz XLJOVBNMXHFILN-UKAVVXHISA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098395160 1020871204 /nfs/dbraw/zinc/87/12/04/1020871204.db2.gz XLJOVBNMXHFILN-UKAVVXHISA-N 1 3 355.526 2.983 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN(CCCCO)CC3)c2cc1OCC ZINC000750178701 1021480242 /nfs/dbraw/zinc/48/02/42/1021480242.db2.gz GWQIWLGJMFLQHG-UHFFFAOYSA-N 1 3 373.497 2.927 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062834 1021695990 /nfs/dbraw/zinc/69/59/90/1021695990.db2.gz JIUSWAQGZYPKLI-UNMCSNQZSA-N 1 3 370.541 2.593 20 0 FFADHO CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)CC1 ZINC001222520967 1033025575 /nfs/dbraw/zinc/02/55/75/1033025575.db2.gz LYJVTDNQJKSMFR-UGKGYDQZSA-N 1 3 357.542 2.871 20 0 FFADHO CC(C)=CCCC1=CC[C@H](C[N@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)CC1 ZINC001222520967 1033025590 /nfs/dbraw/zinc/02/55/90/1033025590.db2.gz LYJVTDNQJKSMFR-UGKGYDQZSA-N 1 3 357.542 2.871 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(Cc2cncc(C)c2)CC3)CC[N@@H+]1C ZINC001016630463 1022058874 /nfs/dbraw/zinc/05/88/74/1022058874.db2.gz GFBGTUCGBXHLAT-XUVXKRRUSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(Cc2cncc(C)c2)CC3)CC[N@H+]1C ZINC001016630463 1022058890 /nfs/dbraw/zinc/05/88/90/1022058890.db2.gz GFBGTUCGBXHLAT-XUVXKRRUSA-N 1 3 370.541 2.591 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C(F)(F)F ZINC001099307357 1022267681 /nfs/dbraw/zinc/26/76/81/1022267681.db2.gz PRANTXJIKRTILN-XJKCOSOUSA-N 1 3 367.431 2.588 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001099307709 1022268487 /nfs/dbraw/zinc/26/84/87/1022268487.db2.gz LBBUSOIFYCAZFE-KFWWJZLASA-N 1 3 363.468 2.742 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1 ZINC001099497062 1022632961 /nfs/dbraw/zinc/63/29/61/1022632961.db2.gz QMRBRKJKEFVIEP-QRFRQXIXSA-N 1 3 361.555 2.951 20 0 FFADHO Cc1ncccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001099497401 1022633806 /nfs/dbraw/zinc/63/38/06/1022633806.db2.gz ZDFRHUONSQXKNK-AGHHOFFYSA-N 1 3 370.541 2.593 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]Cc3cccc4c3CCOC4)c2)CC1 ZINC001119344370 1022700696 /nfs/dbraw/zinc/70/06/96/1022700696.db2.gz KGEMOAMLKYMNDM-UHFFFAOYSA-N 1 3 365.521 2.797 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[C@@H]1C[NH3+] ZINC001120474910 1023334813 /nfs/dbraw/zinc/33/48/13/1023334813.db2.gz NNUIKAGPHNZJLB-BZUAXINKSA-N 1 3 350.532 2.511 20 0 FFADHO O[C@@H](CCc1ccccc1)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001120488055 1023338447 /nfs/dbraw/zinc/33/84/47/1023338447.db2.gz PSHOMYWNUJBKCL-QFIPXVFZSA-N 1 3 353.510 2.877 20 0 FFADHO Cc1ccccc1OC[C@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001120487542 1023338764 /nfs/dbraw/zinc/33/87/64/1023338764.db2.gz ABHIJDDHZIVLDB-OAQYLSRUSA-N 1 3 369.509 2.632 20 0 FFADHO CN1CCC[C@@H](c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2CC2)C1 ZINC001123588956 1023885253 /nfs/dbraw/zinc/88/52/53/1023885253.db2.gz ZAWYQMAEMBDWMI-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO CN1CCC[C@@H](c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2CC2)C1 ZINC001123588956 1023885263 /nfs/dbraw/zinc/88/52/63/1023885263.db2.gz ZAWYQMAEMBDWMI-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO CN1CCC[C@@H](c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC2CC2)C1 ZINC001123683231 1023937247 /nfs/dbraw/zinc/93/72/47/1023937247.db2.gz WMYYJZXGIMRRHY-MOPGFXCFSA-N 1 3 372.561 2.562 20 0 FFADHO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218543896 1033211936 /nfs/dbraw/zinc/21/19/36/1033211936.db2.gz VSKACXCSQDLGEE-HNNXBMFYSA-N 1 3 374.485 2.779 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)cc1F ZINC001101344944 1024507078 /nfs/dbraw/zinc/50/70/78/1024507078.db2.gz MCKRRTVGYSWYGF-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c1 ZINC001102046334 1025351511 /nfs/dbraw/zinc/35/15/11/1025351511.db2.gz YZQNRDDDBHPSFT-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c1 ZINC001102046334 1025351524 /nfs/dbraw/zinc/35/15/24/1025351524.db2.gz YZQNRDDDBHPSFT-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059266 1025376833 /nfs/dbraw/zinc/37/68/33/1025376833.db2.gz IYASQVIBWLCGTF-QRQLOZEOSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059266 1025376849 /nfs/dbraw/zinc/37/68/49/1025376849.db2.gz IYASQVIBWLCGTF-QRQLOZEOSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001102071235 1025390670 /nfs/dbraw/zinc/39/06/70/1025390670.db2.gz HYNYWUOSFFHUKI-BSIFCXSSSA-N 1 3 370.541 2.938 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001102071235 1025390685 /nfs/dbraw/zinc/39/06/85/1025390685.db2.gz HYNYWUOSFFHUKI-BSIFCXSSSA-N 1 3 370.541 2.938 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001102101148 1025425765 /nfs/dbraw/zinc/42/57/65/1025425765.db2.gz PFOLJFBPBHEDNW-BZUAXINKSA-N 1 3 359.505 2.836 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001102101148 1025425771 /nfs/dbraw/zinc/42/57/71/1025425771.db2.gz PFOLJFBPBHEDNW-BZUAXINKSA-N 1 3 359.505 2.836 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C ZINC001102104326 1025429289 /nfs/dbraw/zinc/42/92/89/1025429289.db2.gz PIWGFHBNROFDMV-SJLPKXTDSA-N 1 3 363.521 2.783 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C ZINC001102104326 1025429294 /nfs/dbraw/zinc/42/92/94/1025429294.db2.gz PIWGFHBNROFDMV-SJLPKXTDSA-N 1 3 363.521 2.783 20 0 FFADHO C[NH+]1CCC(C2CCN(Cc3cccc(NS(C)(=O)=O)c3)CC2)CC1 ZINC001141178546 1025569689 /nfs/dbraw/zinc/56/96/89/1025569689.db2.gz NDZVYVQKQVUMBL-UHFFFAOYSA-N 1 3 365.543 2.612 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c1 ZINC001102366477 1025818441 /nfs/dbraw/zinc/81/84/41/1025818441.db2.gz GQKIGQAZHOBGNA-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c1 ZINC001102366477 1025818452 /nfs/dbraw/zinc/81/84/52/1025818452.db2.gz GQKIGQAZHOBGNA-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CN(Cc2cnoc2C)C[C@H]1C)C(C)C ZINC001102471998 1026035188 /nfs/dbraw/zinc/03/51/88/1026035188.db2.gz BHKBNSLKHISXPZ-SUMDDJOVSA-N 1 3 364.534 2.534 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1C ZINC001102472305 1026037299 /nfs/dbraw/zinc/03/72/99/1026037299.db2.gz URJHHXNDPWPGLS-WOJBJXKFSA-N 1 3 369.594 2.998 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1C ZINC001102472305 1026037314 /nfs/dbraw/zinc/03/73/14/1026037314.db2.gz URJHHXNDPWPGLS-WOJBJXKFSA-N 1 3 369.594 2.998 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCc2c(F)cccc2F)C[C@H]1C ZINC001102497270 1026133114 /nfs/dbraw/zinc/13/31/14/1026133114.db2.gz JUTXPMBLDHUACS-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCc2c(F)cccc2F)C[C@H]1C ZINC001102497270 1026133124 /nfs/dbraw/zinc/13/31/24/1026133124.db2.gz JUTXPMBLDHUACS-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c2ccccc21 ZINC000639067633 1026153465 /nfs/dbraw/zinc/15/34/65/1026153465.db2.gz JYEXYKFUBUITAZ-RBUKOAKNSA-N 1 3 364.493 2.773 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102525744 1026219706 /nfs/dbraw/zinc/21/97/06/1026219706.db2.gz SOSVZBIFUSZKRQ-WRWLIDTKSA-N 1 3 361.505 2.839 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102525744 1026219719 /nfs/dbraw/zinc/21/97/19/1026219719.db2.gz SOSVZBIFUSZKRQ-WRWLIDTKSA-N 1 3 361.505 2.839 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760368 1026458742 /nfs/dbraw/zinc/45/87/42/1026458742.db2.gz WFHIHEKLQUKALT-DLBZAZTESA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758183 1026459304 /nfs/dbraw/zinc/45/93/04/1026459304.db2.gz PXWGOUDKAHEKSX-KRWDZBQOSA-N 1 3 359.514 2.632 20 0 FFADHO C[C@@H]1CN(CC(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c2ccccc2)C[C@H](C)[C@H]1O ZINC000639813403 1026480004 /nfs/dbraw/zinc/48/00/04/1026480004.db2.gz HZIMKULXXGOMTI-RXMLPTTHSA-N 1 3 374.569 2.668 20 0 FFADHO C[C@@H]1CN(CC(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c2ccccc2)C[C@H](C)[C@H]1O ZINC000639813403 1026480012 /nfs/dbraw/zinc/48/00/12/1026480012.db2.gz HZIMKULXXGOMTI-RXMLPTTHSA-N 1 3 374.569 2.668 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103157746 1027012724 /nfs/dbraw/zinc/01/27/24/1027012724.db2.gz AMPKNNSCMACDSV-QZTJIDSGSA-N 1 3 355.567 2.608 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1 ZINC001103157746 1027012730 /nfs/dbraw/zinc/01/27/30/1027012730.db2.gz AMPKNNSCMACDSV-QZTJIDSGSA-N 1 3 355.567 2.608 20 0 FFADHO CSc1nc(Cl)cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158574605 1027063847 /nfs/dbraw/zinc/06/38/47/1027063847.db2.gz AMTFIVXTEQNGNJ-UHFFFAOYSA-N 1 3 355.939 2.505 20 0 FFADHO CN1CCC(N(c2nccc3c(Cl)ccnc32)C2CC[NH2+]CC2)CC1 ZINC001158575677 1027064305 /nfs/dbraw/zinc/06/43/05/1027064305.db2.gz QTWBKXOOCLMREF-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO CCCN(CCC)c1cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)ncn1 ZINC001158580722 1027065888 /nfs/dbraw/zinc/06/58/88/1027065888.db2.gz KLDUYVYVFQCMAX-UHFFFAOYSA-N 1 3 374.577 2.756 20 0 FFADHO CCOC(=O)c1c(C)cc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc1C ZINC001158580698 1027066379 /nfs/dbraw/zinc/06/63/79/1027066379.db2.gz JWNHOWLEYDXWJI-UHFFFAOYSA-N 1 3 374.529 2.528 20 0 FFADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968352 1027212094 /nfs/dbraw/zinc/21/20/94/1027212094.db2.gz OSRAAVGFFGJXJY-HOTGVXAUSA-N 1 3 373.463 2.784 20 0 FFADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968352 1027212096 /nfs/dbraw/zinc/21/20/96/1027212096.db2.gz OSRAAVGFFGJXJY-HOTGVXAUSA-N 1 3 373.463 2.784 20 0 FFADHO CN1CCN(Cc2cccc(Nc3ccc4c(c3)CC[NH2+]CC4)c2)CC1 ZINC001159679704 1027465661 /nfs/dbraw/zinc/46/56/61/1027465661.db2.gz VHROLNLDMBFBLY-UHFFFAOYSA-N 1 3 350.510 2.866 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CCC[C@H]3C)C2)sn1 ZINC001103433335 1027470871 /nfs/dbraw/zinc/47/08/71/1027470871.db2.gz CLNPVKCCPVQYLJ-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CCC[C@H]3C)C2)sn1 ZINC001103433335 1027470882 /nfs/dbraw/zinc/47/08/82/1027470882.db2.gz CLNPVKCCPVQYLJ-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C2)o1 ZINC001103439464 1027485727 /nfs/dbraw/zinc/48/57/27/1027485727.db2.gz BSJWQJUXDYCSGM-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C2)o1 ZINC001103439464 1027485741 /nfs/dbraw/zinc/48/57/41/1027485741.db2.gz BSJWQJUXDYCSGM-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO Cc1ccc(-c2cc(C(F)(F)N[C@@H](N)CCC[NH3+])c(Cl)nn2)cc1 ZINC001159787926 1027497602 /nfs/dbraw/zinc/49/76/02/1027497602.db2.gz FDEXCNVXDLNGEZ-CQSZACIVSA-N 1 3 355.820 2.768 20 0 FFADHO C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)[C@@H](N)CCC[NH3+] ZINC001160994115 1027961175 /nfs/dbraw/zinc/96/11/75/1027961175.db2.gz MJSDKNXTURBQBZ-LSTHTHJFSA-N 1 3 355.482 2.720 20 0 FFADHO CCN(C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161332560 1028135942 /nfs/dbraw/zinc/13/59/42/1028135942.db2.gz OGHPRLFKURCBPB-RTWAWAEBSA-N 1 3 351.494 2.824 20 0 FFADHO CN(Cc1ccc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)nc1)C1CC1 ZINC001161366713 1028149510 /nfs/dbraw/zinc/14/95/10/1028149510.db2.gz MGXBOVXGEGQDKD-SAABIXHNSA-N 1 3 352.486 2.874 20 0 FFADHO C[NH+]1CCC(N(C(=O)[C@@H]2CC[C@H](C(F)(F)F)CN2)C2CCCC2)CC1 ZINC001161454090 1028184259 /nfs/dbraw/zinc/18/42/59/1028184259.db2.gz QYUKCILBGMXKNS-BBRMVZONSA-N 1 3 361.452 2.782 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]Cc1cccc(F)c1F ZINC001104000183 1028463375 /nfs/dbraw/zinc/46/33/75/1028463375.db2.gz YJFIVPXYXQIBSO-KYJSFNMBSA-N 1 3 365.468 2.633 20 0 FFADHO CC(C)N1CCN(c2ccc(NCc3ccc4c(c3)CC[NH2+]C4)cn2)CC1 ZINC001162807263 1028662126 /nfs/dbraw/zinc/66/21/26/1028662126.db2.gz DKDCCXDMTFEDQW-UHFFFAOYSA-N 1 3 365.525 2.870 20 0 FFADHO S=c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n[n-]1 ZINC001162931673 1028713700 /nfs/dbraw/zinc/71/37/00/1028713700.db2.gz ACJXUMVDWJZVSU-QGZVFWFLSA-N 1 3 369.538 2.679 20 0 FFADHO S=c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n[n-]1 ZINC001162931673 1028713716 /nfs/dbraw/zinc/71/37/16/1028713716.db2.gz ACJXUMVDWJZVSU-QGZVFWFLSA-N 1 3 369.538 2.679 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2c1ccn2C(C)C ZINC001163128197 1028813447 /nfs/dbraw/zinc/81/34/47/1028813447.db2.gz DPVAWGPMXLHZAW-UHFFFAOYSA-N 1 3 351.886 2.944 20 0 FFADHO COC(=O)c1ccc([C@H]([NH3+])CNc2ncccc2CN2CCCC2)cc1 ZINC001163465320 1028937441 /nfs/dbraw/zinc/93/74/41/1028937441.db2.gz FRIPCXIZZNAUHX-GOSISDBHSA-N 1 3 354.454 2.576 20 0 FFADHO [NH3+]CC1(c2ccccc2)CCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001164438758 1029281206 /nfs/dbraw/zinc/28/12/06/1029281206.db2.gz DDNSCMPIVZNOCI-UHFFFAOYSA-N 1 3 356.901 2.878 20 0 FFADHO C[NH+](C)CCn1c(=O)ccc2c1CCN(Cc1ccccc1Cl)CC2 ZINC001203379143 1029450978 /nfs/dbraw/zinc/45/09/78/1029450978.db2.gz PNPVSPXXMWJKBD-UHFFFAOYSA-N 1 3 359.901 2.664 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)c1 ZINC001111858067 1029628883 /nfs/dbraw/zinc/62/88/83/1029628883.db2.gz MUDYLXQWQYKEIS-RXVVDRJESA-N 1 3 359.514 2.508 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949104 1029788068 /nfs/dbraw/zinc/78/80/68/1029788068.db2.gz NTCFXCXUKGGYLX-RXVVDRJESA-N 1 3 358.530 2.593 20 0 FFADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337518 1029801472 /nfs/dbraw/zinc/80/14/72/1029801472.db2.gz WSZQWPIAPSHESS-BAGYTPMASA-N 1 3 361.489 2.606 20 0 FFADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337518 1029801478 /nfs/dbraw/zinc/80/14/78/1029801478.db2.gz WSZQWPIAPSHESS-BAGYTPMASA-N 1 3 361.489 2.606 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cc(-c3ccccc3)no2)CC[N@@H+]1C ZINC001158413178 1029823026 /nfs/dbraw/zinc/82/30/26/1029823026.db2.gz XDXFOGKFNHWKGU-AZUAARDMSA-N 1 3 370.497 2.668 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cc(-c3ccccc3)no2)CC[N@H+]1C ZINC001158413178 1029823033 /nfs/dbraw/zinc/82/30/33/1029823033.db2.gz XDXFOGKFNHWKGU-AZUAARDMSA-N 1 3 370.497 2.668 20 0 FFADHO Cc1nc(N2CCCC2)cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)n1 ZINC001165265760 1029921908 /nfs/dbraw/zinc/92/19/08/1029921908.db2.gz VZNPMRGLXQUBQB-INIZCTEOSA-N 1 3 369.435 2.896 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166073 1030131948 /nfs/dbraw/zinc/13/19/48/1030131948.db2.gz CLBSZYHMPXKEHI-ARFHVFGLSA-N 1 3 363.468 2.743 20 0 FFADHO CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001112171647 1030141717 /nfs/dbraw/zinc/14/17/17/1030141717.db2.gz SHTDWUYHKFJKFR-ZIAGYGMSSA-N 1 3 360.424 2.757 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)Nc1cccc(OCC[NH3+])c1)c1ccco1 ZINC000841286394 1030159077 /nfs/dbraw/zinc/15/90/77/1030159077.db2.gz PWVVYIKVFMZIPO-WMLDXEAASA-N 1 3 360.458 2.868 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC001166248252 1030320756 /nfs/dbraw/zinc/32/07/56/1030320756.db2.gz RRLSDEALTUTZDV-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC001166248252 1030320775 /nfs/dbraw/zinc/32/07/75/1030320775.db2.gz RRLSDEALTUTZDV-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841876444 1030515766 /nfs/dbraw/zinc/51/57/66/1030515766.db2.gz FKZFHYIETTWTCH-UTKZUKDTSA-N 1 3 366.509 2.508 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841924936 1030545667 /nfs/dbraw/zinc/54/56/67/1030545667.db2.gz JBFWGKSTMPLMRI-UHFFFAOYSA-N 1 3 372.488 2.600 20 0 FFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc3nc[nH]c31)C2 ZINC001142679514 1030712480 /nfs/dbraw/zinc/71/24/80/1030712480.db2.gz HFKWUBNZEAVSHN-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc3nc[nH]c31)C2 ZINC001142679514 1030712485 /nfs/dbraw/zinc/71/24/85/1030712485.db2.gz HFKWUBNZEAVSHN-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001204087320 1031090815 /nfs/dbraw/zinc/09/08/15/1031090815.db2.gz ALYIFDFWCVYYCJ-DGAVXFQQSA-N 1 3 365.440 2.762 20 0 FFADHO COc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1OC(=O)C1CC1 ZINC000843126082 1031193252 /nfs/dbraw/zinc/19/32/52/1031193252.db2.gz FXEIGTUPFBSWRT-SFHVURJKSA-N 1 3 358.482 2.832 20 0 FFADHO CCOC(=O)NC1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204270814 1031196947 /nfs/dbraw/zinc/19/69/47/1031196947.db2.gz BIHSQEJSJUMTIG-UHFFFAOYSA-N 1 3 363.502 2.728 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC001204489845 1031313909 /nfs/dbraw/zinc/31/39/09/1031313909.db2.gz NSUGKYIWGCDTKH-IFMALSPDSA-N 1 3 356.510 2.802 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC001204489845 1031313917 /nfs/dbraw/zinc/31/39/17/1031313917.db2.gz NSUGKYIWGCDTKH-IFMALSPDSA-N 1 3 356.510 2.802 20 0 FFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205449443 1031756286 /nfs/dbraw/zinc/75/62/86/1031756286.db2.gz UZQJYVFAYXYPHY-YTQUADARSA-N 1 3 367.484 2.800 20 0 FFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205449443 1031756300 /nfs/dbraw/zinc/75/63/00/1031756300.db2.gz UZQJYVFAYXYPHY-YTQUADARSA-N 1 3 367.484 2.800 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCF)C1 ZINC001205652790 1031906504 /nfs/dbraw/zinc/90/65/04/1031906504.db2.gz AJARGEHZEYVZAF-HHXXYDBFSA-N 1 3 365.468 2.554 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223199875 1033330623 /nfs/dbraw/zinc/33/06/23/1033330623.db2.gz CESOFFGSTJFXDW-SQNIBIBYSA-N 1 3 353.526 2.922 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)c3ccccc3C[NH3+])cc2)CC1 ZINC001218845658 1033370515 /nfs/dbraw/zinc/37/05/15/1033370515.db2.gz GJQDBTGQUYGQFP-UHFFFAOYSA-N 1 3 352.482 2.535 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001219029849 1033477216 /nfs/dbraw/zinc/47/72/16/1033477216.db2.gz QJXSAURLEDRDQT-LPHOPBHVSA-N 1 3 351.450 2.848 20 0 FFADHO CC(C)Oc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(Cl)cc1Cl ZINC001219124599 1033525480 /nfs/dbraw/zinc/52/54/80/1033525480.db2.gz WHRYSDZHUVEHLM-PIGZYNQJSA-N 1 3 372.296 2.918 20 0 FFADHO CCOP(=O)(Cc1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1)OCC ZINC001219129534 1033527207 /nfs/dbraw/zinc/52/72/07/1033527207.db2.gz LTXBNSKRSVQCFD-INIZCTEOSA-N 1 3 371.418 2.848 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2CCN(Cc3cccnc3)[C@H]2C1 ZINC001224290047 1033832816 /nfs/dbraw/zinc/83/28/16/1033832816.db2.gz XQUHWWAMVVTBNN-RTWAWAEBSA-N 1 3 370.541 2.771 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCSCc1ccccc1Cl ZINC001220084738 1033975493 /nfs/dbraw/zinc/97/54/93/1033975493.db2.gz ZNIQJQILHXOVCC-INIZCTEOSA-N 1 3 357.951 2.749 20 0 FFADHO O=C(NC1c2ccccc2Oc2ccccc21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220721338 1034355525 /nfs/dbraw/zinc/35/55/25/1034355525.db2.gz GIMMEVDXPVJEFY-QGZVFWFLSA-N 1 3 363.461 2.872 20 0 FFADHO O=C(NC1c2ccccc2Oc2ccccc21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220721338 1034355533 /nfs/dbraw/zinc/35/55/33/1034355533.db2.gz GIMMEVDXPVJEFY-QGZVFWFLSA-N 1 3 363.461 2.872 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC001220804547 1034407080 /nfs/dbraw/zinc/40/70/80/1034407080.db2.gz OMVLOBAHDKIAFK-BZUAXINKSA-N 1 3 371.447 2.511 20 0 FFADHO O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@H]1CCCN1CC1CC1 ZINC001220976799 1034487088 /nfs/dbraw/zinc/48/70/88/1034487088.db2.gz OKJPBBTWLIBAJU-FQEVSTJZSA-N 1 3 373.516 2.729 20 0 FFADHO CC(C)(CNC(=O)[C@H](N)C1CC[NH2+]CC1)Cc1ccc(C(F)(F)F)cc1 ZINC001221166690 1034584271 /nfs/dbraw/zinc/58/42/71/1034584271.db2.gz KKNBEVBQJIOCFG-MRXNPFEDSA-N 1 3 371.447 2.717 20 0 FFADHO C[S@](=O)CC[C@H](N)C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001221272089 1034636523 /nfs/dbraw/zinc/63/65/23/1034636523.db2.gz VCDXKQRIPVGMDA-XMHCIUCPSA-N 1 3 350.509 2.668 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC001221400075 1034714845 /nfs/dbraw/zinc/71/48/45/1034714845.db2.gz XRADZQGHIYABRK-LEWJYISDSA-N 1 3 365.521 2.685 20 0 FFADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)c1 ZINC001221402520 1034715834 /nfs/dbraw/zinc/71/58/34/1034715834.db2.gz CEXJWYOVXNQJRW-AABGKKOBSA-N 1 3 353.466 2.695 20 0 FFADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H](N)Cc2cccc3ccccc32)c1 ZINC001221404828 1034717116 /nfs/dbraw/zinc/71/71/16/1034717116.db2.gz ORXBEJVZYYJMIQ-LEWJYISDSA-N 1 3 363.461 2.534 20 0 FFADHO CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[N@H+](CC)C1 ZINC001221495233 1034820509 /nfs/dbraw/zinc/82/05/09/1034820509.db2.gz BGGIIRTXVQGFBZ-HXUWFJFHSA-N 1 3 372.557 2.949 20 0 FFADHO CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[N@@H+](CC)C1 ZINC001221495233 1034820523 /nfs/dbraw/zinc/82/05/23/1034820523.db2.gz BGGIIRTXVQGFBZ-HXUWFJFHSA-N 1 3 372.557 2.949 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1OCC ZINC001138974744 1034855800 /nfs/dbraw/zinc/85/58/00/1034855800.db2.gz UBZIPWDLPRGANQ-RBUKOAKNSA-N 1 3 361.530 2.694 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1OCC ZINC001138974744 1034855805 /nfs/dbraw/zinc/85/58/05/1034855805.db2.gz UBZIPWDLPRGANQ-RBUKOAKNSA-N 1 3 361.530 2.694 20 0 FFADHO CCCCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221615931 1034921404 /nfs/dbraw/zinc/92/14/04/1034921404.db2.gz BGXOMOLDCHGHGL-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO CCCCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221615931 1034921408 /nfs/dbraw/zinc/92/14/08/1034921408.db2.gz BGXOMOLDCHGHGL-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001227056231 1034922189 /nfs/dbraw/zinc/92/21/89/1034922189.db2.gz CDRIQHPFVZWACW-KZNAEPCWSA-N 1 3 353.457 2.822 20 0 FFADHO CC[C@@H](COC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160536 1034956075 /nfs/dbraw/zinc/95/60/75/1034956075.db2.gz JADVVCKEHLBXQO-IBGZPJMESA-N 1 3 351.535 2.675 20 0 FFADHO CCOC[C@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227161853 1034957076 /nfs/dbraw/zinc/95/70/76/1034957076.db2.gz XTZOQUIERFAZEY-INIZCTEOSA-N 1 3 351.535 2.675 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnc(N)s1)CC2 ZINC001139227444 1035019054 /nfs/dbraw/zinc/01/90/54/1035019054.db2.gz NROMNWLXHKSPJE-KRWDZBQOSA-N 1 3 372.538 2.981 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnc(N)s1)CC2 ZINC001139227444 1035019063 /nfs/dbraw/zinc/01/90/63/1035019063.db2.gz NROMNWLXHKSPJE-KRWDZBQOSA-N 1 3 372.538 2.981 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCOC)C[C@H]21 ZINC001221933812 1035165413 /nfs/dbraw/zinc/16/54/13/1035165413.db2.gz PGNGVKSTTOLWLH-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCOC)C[C@H]21 ZINC001221933812 1035165416 /nfs/dbraw/zinc/16/54/16/1035165416.db2.gz PGNGVKSTTOLWLH-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(N)nc1)CC2 ZINC001232367989 1035630540 /nfs/dbraw/zinc/63/05/40/1035630540.db2.gz SZFDPCLPFDZBMN-KRWDZBQOSA-N 1 3 372.538 2.981 20 0 FFADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703441 1035686323 /nfs/dbraw/zinc/68/63/23/1035686323.db2.gz IEEJHXMMPUUUKA-AQNXPRMDSA-N 1 3 365.562 2.695 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(COC)cc1)N(C)C ZINC001228647040 1036230063 /nfs/dbraw/zinc/23/00/63/1036230063.db2.gz NMZSFBSJEXNNMA-AQNXPRMDSA-N 1 3 361.530 2.690 20 0 FFADHO Cc1cc(F)cc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1Cl ZINC001277774324 1036421829 /nfs/dbraw/zinc/42/18/29/1036421829.db2.gz GKWMNBFLGAIXLT-IBGZPJMESA-N 1 3 367.896 2.774 20 0 FFADHO COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230274765 1037186630 /nfs/dbraw/zinc/18/66/30/1037186630.db2.gz KOKCADQZAJHMCE-RTBURBONSA-N 1 3 361.530 2.861 20 0 FFADHO CN1C[C@@H](c2ccccc2)C2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207282416 1037315300 /nfs/dbraw/zinc/31/53/00/1037315300.db2.gz QBXYLIJFNFJGQR-IBGZPJMESA-N 1 3 357.542 2.912 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001230642371 1037328684 /nfs/dbraw/zinc/32/86/84/1037328684.db2.gz DHYQMGWLTPPBEL-FAXKSRBJSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001230642371 1037328695 /nfs/dbraw/zinc/32/86/95/1037328695.db2.gz DHYQMGWLTPPBEL-FAXKSRBJSA-N 1 3 371.529 2.531 20 0 FFADHO Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001230859379 1037381112 /nfs/dbraw/zinc/38/11/12/1037381112.db2.gz XNODODJZAKNCHE-SFHVURJKSA-N 1 3 362.562 2.887 20 0 FFADHO Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001230859379 1037381131 /nfs/dbraw/zinc/38/11/31/1037381131.db2.gz XNODODJZAKNCHE-SFHVURJKSA-N 1 3 362.562 2.887 20 0 FFADHO c1ccc2c(c1)CCC21CCN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC1 ZINC001235154374 1037390303 /nfs/dbraw/zinc/39/03/03/1037390303.db2.gz WFWRMGKRZZBYGN-UHFFFAOYSA-N 1 3 362.521 2.971 20 0 FFADHO COc1ccc(CCN2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001207474924 1037470971 /nfs/dbraw/zinc/47/09/71/1037470971.db2.gz ZUAVZEIYIXYVLX-IFMALSPDSA-N 1 3 358.526 2.918 20 0 FFADHO COc1ccc(CCN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001207474924 1037470978 /nfs/dbraw/zinc/47/09/78/1037470978.db2.gz ZUAVZEIYIXYVLX-IFMALSPDSA-N 1 3 358.526 2.918 20 0 FFADHO COCCOc1ccccc1N1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207488367 1037485996 /nfs/dbraw/zinc/48/59/96/1037485996.db2.gz JWJVECWLTZKPNH-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1cc(F)cc(C)c1Cl)C2 ZINC001235334386 1037486139 /nfs/dbraw/zinc/48/61/39/1037486139.db2.gz DHLYKMWFAYSCAF-DEWZPKMOSA-N 1 3 366.864 2.618 20 0 FFADHO Cc1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(Br)c1 ZINC001235368915 1037510737 /nfs/dbraw/zinc/51/07/37/1037510737.db2.gz OPWJRNNXQHDNGW-ZMSDIMECSA-N 1 3 351.288 2.710 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235507422 1037596318 /nfs/dbraw/zinc/59/63/18/1037596318.db2.gz AWWKJVLAACKPQH-UHFFFAOYSA-N 1 3 352.866 2.533 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235507422 1037596328 /nfs/dbraw/zinc/59/63/28/1037596328.db2.gz AWWKJVLAACKPQH-UHFFFAOYSA-N 1 3 352.866 2.533 20 0 FFADHO c1nc(CNC2CCC2)c2n1CCCN(Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001235557735 1037623627 /nfs/dbraw/zinc/62/36/27/1037623627.db2.gz CXONAOXEXOMIGZ-UHFFFAOYSA-N 1 3 351.498 2.534 20 0 FFADHO CNC(=O)C[N@@H+]1CCCC12CCN(CC[C@H](C)CCCC(C)(C)O)CC2 ZINC001207638487 1037624726 /nfs/dbraw/zinc/62/47/26/1037624726.db2.gz CCCSGSYYUXAXSU-GOSISDBHSA-N 1 3 367.578 2.630 20 0 FFADHO CNC(=O)C[N@H+]1CCCC12CCN(CC[C@H](C)CCCC(C)(C)O)CC2 ZINC001207638487 1037624734 /nfs/dbraw/zinc/62/47/34/1037624734.db2.gz CCCSGSYYUXAXSU-GOSISDBHSA-N 1 3 367.578 2.630 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C)[NH+](C)C ZINC001207652777 1037630388 /nfs/dbraw/zinc/63/03/88/1037630388.db2.gz LRFXEOBZXHTBSR-RLLQIKCJSA-N 1 3 367.578 2.749 20 0 FFADHO [NH3+]Cc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001235595039 1037636146 /nfs/dbraw/zinc/63/61/46/1037636146.db2.gz BEKRRYGHPAUIKL-TZIWHRDSSA-N 1 3 355.457 2.622 20 0 FFADHO FC(F)(F)c1ccc(O[C@@H]2CCC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235688899 1037685697 /nfs/dbraw/zinc/68/56/97/1037685697.db2.gz VAWXZXAGIHUXMP-IAGOWNOFSA-N 1 3 358.404 2.927 20 0 FFADHO FC(F)(F)c1ccc(O[C@@H]2CCC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235688899 1037685704 /nfs/dbraw/zinc/68/57/04/1037685704.db2.gz VAWXZXAGIHUXMP-IAGOWNOFSA-N 1 3 358.404 2.927 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C ZINC001207757758 1037696321 /nfs/dbraw/zinc/69/63/21/1037696321.db2.gz LIZADAMLTJEPHW-IEBWSBKVSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C ZINC001207757758 1037696331 /nfs/dbraw/zinc/69/63/31/1037696331.db2.gz LIZADAMLTJEPHW-IEBWSBKVSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@H](CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)OC ZINC001207790716 1037732771 /nfs/dbraw/zinc/73/27/71/1037732771.db2.gz XGMGKGVTINOYMI-KBAYOESNSA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@H](CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)OC ZINC001207790716 1037732788 /nfs/dbraw/zinc/73/27/88/1037732788.db2.gz XGMGKGVTINOYMI-KBAYOESNSA-N 1 3 353.551 2.501 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cc(Cl)cc(Cl)c3)C[C@H]1C2 ZINC001236022682 1037893716 /nfs/dbraw/zinc/89/37/16/1037893716.db2.gz MNQPQNFXJZBXBY-UOUZQGKXSA-N 1 3 369.292 2.824 20 0 FFADHO CCOC(=O)C1(CC)CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)CC1 ZINC001236267050 1038008376 /nfs/dbraw/zinc/00/83/76/1038008376.db2.gz WWJSLRNXFSTBTJ-UHFFFAOYSA-N 1 3 373.541 2.647 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC001255630929 1038091680 /nfs/dbraw/zinc/09/16/80/1038091680.db2.gz SKLOXYIAQNZPDY-YLJYHZDGSA-N 1 3 366.509 2.757 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC001255630929 1038091706 /nfs/dbraw/zinc/09/17/06/1038091706.db2.gz SKLOXYIAQNZPDY-YLJYHZDGSA-N 1 3 366.509 2.757 20 0 FFADHO C[C@H](CC(F)(F)F)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001255649623 1038103347 /nfs/dbraw/zinc/10/33/47/1038103347.db2.gz CFLSYKDXUCHWIG-FVQBIDKESA-N 1 3 361.452 2.734 20 0 FFADHO CC[NH+]1C[C@@H]2CN(CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001208234414 1038160142 /nfs/dbraw/zinc/16/01/42/1038160142.db2.gz GZMSLBNWSIZQDC-KZNAEPCWSA-N 1 3 351.535 2.907 20 0 FFADHO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C2 ZINC001232150266 1038199111 /nfs/dbraw/zinc/19/91/11/1038199111.db2.gz QYBHNTGGCKKCLE-UXHICEINSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C2 ZINC001232150266 1038199118 /nfs/dbraw/zinc/19/91/18/1038199118.db2.gz QYBHNTGGCKKCLE-UXHICEINSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@@]12CCCO[C@@H]1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232150266 1038199124 /nfs/dbraw/zinc/19/91/24/1038199124.db2.gz QYBHNTGGCKKCLE-UXHICEINSA-N 1 3 350.478 2.905 20 0 FFADHO Cc1cccc(CN(Cc2cn3c(n2)CNCC3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726613 1038219968 /nfs/dbraw/zinc/21/99/68/1038219968.db2.gz LDGGQEPQYGYZBR-KESTWPANSA-N 1 3 353.514 2.567 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N1C[C@H]2CCN(C(=O)c3cscn3)C[C@@H]2C1 ZINC001255962418 1038275940 /nfs/dbraw/zinc/27/59/40/1038275940.db2.gz VFXUNDJDNNPUPV-BRWVUGGUSA-N 1 3 364.559 2.657 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001255962418 1038275949 /nfs/dbraw/zinc/27/59/49/1038275949.db2.gz VFXUNDJDNNPUPV-BRWVUGGUSA-N 1 3 364.559 2.657 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001255962418 1038275958 /nfs/dbraw/zinc/27/59/58/1038275958.db2.gz VFXUNDJDNNPUPV-BRWVUGGUSA-N 1 3 364.559 2.657 20 0 FFADHO O=C1CCC2(CCN(C3CC[NH+](C4CC4)CC3)CC2)N1Cc1ccncc1 ZINC001256078372 1038363705 /nfs/dbraw/zinc/36/37/05/1038363705.db2.gz LLLLIQDKZKEVBK-UHFFFAOYSA-N 1 3 368.525 2.665 20 0 FFADHO O=C1C[C@@H](c2ccccc2)C2(CCN(C3CC[NH+](C4CC4)CC3)CC2)N1 ZINC001256079294 1038365365 /nfs/dbraw/zinc/36/53/65/1038365365.db2.gz ZHBNFVKCUKRWCO-FQEVSTJZSA-N 1 3 353.510 2.752 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C)[NH+](C)C ZINC001208528020 1038387756 /nfs/dbraw/zinc/38/77/56/1038387756.db2.gz XMSLXIBDNHNIHQ-MAODMQOUSA-N 1 3 368.525 2.758 20 0 FFADHO C[C@H](CCc1ccc(Br)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001256222535 1038438768 /nfs/dbraw/zinc/43/87/68/1038438768.db2.gz MUJJFTQQMFUZOT-MRXNPFEDSA-N 1 3 368.363 2.949 20 0 FFADHO C[C@@H](CCc1ccc(Br)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001256222534 1038439206 /nfs/dbraw/zinc/43/92/06/1038439206.db2.gz MUJJFTQQMFUZOT-INIZCTEOSA-N 1 3 368.363 2.949 20 0 FFADHO CN(Cc1ccccn1)[C@H]1CCC[C@H]2C[N@H+](C[C@H]3CCCN(C)C3)C[C@@H]21 ZINC001208608288 1038441917 /nfs/dbraw/zinc/44/19/17/1038441917.db2.gz PXPOWQKODSXGHQ-LGGPRVQUSA-N 1 3 356.558 2.956 20 0 FFADHO CN(Cc1ccccn1)[C@H]1CCC[C@H]2C[N@@H+](C[C@H]3CCCN(C)C3)C[C@@H]21 ZINC001208608288 1038441924 /nfs/dbraw/zinc/44/19/24/1038441924.db2.gz PXPOWQKODSXGHQ-LGGPRVQUSA-N 1 3 356.558 2.956 20 0 FFADHO CCN1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)C[C@@H]2C1 ZINC001256545041 1038551600 /nfs/dbraw/zinc/55/16/00/1038551600.db2.gz BHNQUPJMDIOKJQ-FVTFTPSCSA-N 1 3 357.542 2.692 20 0 FFADHO CCN1CCO[C@@H]2C[N@H+]([C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)C[C@@H]2C1 ZINC001256545041 1038551605 /nfs/dbraw/zinc/55/16/05/1038551605.db2.gz BHNQUPJMDIOKJQ-FVTFTPSCSA-N 1 3 357.542 2.692 20 0 FFADHO CC(C)(C)N1CCC([N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)CC1 ZINC001256570684 1038564074 /nfs/dbraw/zinc/56/40/74/1038564074.db2.gz OCJUIDQMXABJSH-CTNGQTDRSA-N 1 3 359.514 2.957 20 0 FFADHO CC(C)(C)N1CCC([N@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)CC1 ZINC001256570684 1038564077 /nfs/dbraw/zinc/56/40/77/1038564077.db2.gz OCJUIDQMXABJSH-CTNGQTDRSA-N 1 3 359.514 2.957 20 0 FFADHO OCC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC001256680127 1038599509 /nfs/dbraw/zinc/59/95/09/1038599509.db2.gz YNSLWSIRUHSPRO-CTWPCTMYSA-N 1 3 352.906 2.997 20 0 FFADHO Cc1cccnc1N1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256683115 1038600299 /nfs/dbraw/zinc/60/02/99/1038600299.db2.gz SIUIQCAQJHZJSV-UHFFFAOYSA-N 1 3 358.530 2.592 20 0 FFADHO COC(=O)CC1(C[NH2+]C2CCC(N3CCOCC3)CC2)CCCCC1 ZINC001256686904 1038602918 /nfs/dbraw/zinc/60/29/18/1038602918.db2.gz VTIPIVFXLZFVHC-UHFFFAOYSA-N 1 3 352.519 2.733 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1)C1CCC1 ZINC001208959763 1038608305 /nfs/dbraw/zinc/60/83/05/1038608305.db2.gz TWSSJEXLMWTASE-PZJWPPBQSA-N 1 3 355.526 2.889 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1)C1CCC1 ZINC001208959763 1038608309 /nfs/dbraw/zinc/60/83/09/1038608309.db2.gz TWSSJEXLMWTASE-PZJWPPBQSA-N 1 3 355.526 2.889 20 0 FFADHO Clc1ccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)nc1 ZINC001256860737 1038637765 /nfs/dbraw/zinc/63/77/65/1038637765.db2.gz DVROFIBMLCXWSO-UHFFFAOYSA-N 1 3 357.889 2.921 20 0 FFADHO O=C(c1ccccc1)N1CCCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256863265 1038638918 /nfs/dbraw/zinc/63/89/18/1038638918.db2.gz WFMFGXCFXQOHNC-UHFFFAOYSA-N 1 3 364.493 2.899 20 0 FFADHO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC001256998390 1038675924 /nfs/dbraw/zinc/67/59/24/1038675924.db2.gz JVJHMKIWRGPDLA-IRXDYDNUSA-N 1 3 368.518 2.504 20 0 FFADHO COC(=O)[C@H]1CCCN(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C1 ZINC001209149940 1038686492 /nfs/dbraw/zinc/68/64/92/1038686492.db2.gz PJBBWTOILPNXKG-IBGZPJMESA-N 1 3 372.509 2.513 20 0 FFADHO Cc1cccc(CO[C@@H]2C[C@@H]3CN(C4CC[NH+](C(C)C)CC4)CCN3C2)n1 ZINC001257219109 1038748907 /nfs/dbraw/zinc/74/89/07/1038748907.db2.gz YNGPDAUKSVFCOJ-FGZHOGPDSA-N 1 3 372.557 2.538 20 0 FFADHO CCN1C[C@@H]2C[NH+](C[C@@H](O)COCc3c(Cl)cccc3Cl)C[C@H]2C1 ZINC001250906779 1038800346 /nfs/dbraw/zinc/80/03/46/1038800346.db2.gz LKRIUIWBYRWZHV-RBSFLKMASA-N 1 3 373.324 2.754 20 0 FFADHO c1cncc(O[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CCCN2CCCCC2)C3)c1 ZINC001209451185 1038875183 /nfs/dbraw/zinc/87/51/83/1038875183.db2.gz GBHVMCCBDGLYOJ-LEWJYISDSA-N 1 3 359.514 2.960 20 0 FFADHO c1cncc(O[C@@H]2CO[C@@]3(C2)CCC[N@H+](CCCN2CCCCC2)C3)c1 ZINC001209451185 1038875211 /nfs/dbraw/zinc/87/52/11/1038875211.db2.gz GBHVMCCBDGLYOJ-LEWJYISDSA-N 1 3 359.514 2.960 20 0 FFADHO Fc1cccc(O[C@H]2C[C@H]3CN(CCC[NH+]4CCCCC4)CCN3C2)c1 ZINC001209450794 1038875641 /nfs/dbraw/zinc/87/56/41/1038875641.db2.gz RDUUFMNGQSTNHF-FPOVZHCZSA-N 1 3 361.505 2.839 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3cnccc3N)C2)C1 ZINC001209730598 1039165521 /nfs/dbraw/zinc/16/55/21/1039165521.db2.gz ZEHXLHHQSIFFIK-VQIMIIECSA-N 1 3 364.465 2.665 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3cnccc3N)C2)C1 ZINC001209730598 1039165524 /nfs/dbraw/zinc/16/55/24/1039165524.db2.gz ZEHXLHHQSIFFIK-VQIMIIECSA-N 1 3 364.465 2.665 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnccc3N)C[C@@H]21 ZINC001209729870 1039166682 /nfs/dbraw/zinc/16/66/82/1039166682.db2.gz DAMAFOPQYHLVJT-LKUPVBHCSA-N 1 3 351.498 2.622 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnccc3N)C[C@@H]21 ZINC001209729870 1039166685 /nfs/dbraw/zinc/16/66/85/1039166685.db2.gz DAMAFOPQYHLVJT-LKUPVBHCSA-N 1 3 351.498 2.622 20 0 FFADHO CN(C)CCN1C(=O)C2(CC[NH+](CCCCF)CC2)[C@@H]1c1ccccc1 ZINC001276668003 1039188961 /nfs/dbraw/zinc/18/89/61/1039188961.db2.gz PGXDBPBYNVGJTK-IBGZPJMESA-N 1 3 361.505 2.963 20 0 FFADHO C[C@@H]1[C@H](C[NH3+])CCCN1C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001246027092 1039199895 /nfs/dbraw/zinc/19/98/95/1039199895.db2.gz WPMVNLXMYCWUHR-AYBZRNKSSA-N 1 3 362.514 2.561 20 0 FFADHO [NH3+][C@@H]1CCN(C[C@@H](O)COCc2c(Cl)cccc2Cl)CC[C@H]1F ZINC001246027172 1039200455 /nfs/dbraw/zinc/20/04/55/1039200455.db2.gz GFTIDHOJNIPURO-HFBAOOFYSA-N 1 3 365.276 2.632 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001246047082 1039218203 /nfs/dbraw/zinc/21/82/03/1039218203.db2.gz STNSMDAPIIMDBM-UIAACRFSSA-N 1 3 364.411 2.824 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001246047082 1039218217 /nfs/dbraw/zinc/21/82/17/1039218217.db2.gz STNSMDAPIIMDBM-UIAACRFSSA-N 1 3 364.411 2.824 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CCNc3ccccc32)CC1 ZINC001246066997 1039232476 /nfs/dbraw/zinc/23/24/76/1039232476.db2.gz VBXQKMQRXABFIS-RBBKRZOGSA-N 1 3 365.521 2.767 20 0 FFADHO Brc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246353087 1039322871 /nfs/dbraw/zinc/32/28/71/1039322871.db2.gz SRZFHLMGYLSHKA-QGZVFWFLSA-N 1 3 352.320 2.755 20 0 FFADHO COc1ccc2cc(CC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O)ccc2c1 ZINC001246413013 1039344085 /nfs/dbraw/zinc/34/40/85/1039344085.db2.gz DWUUVPJDOXPIJT-QRWLVFNGSA-N 1 3 357.498 2.742 20 0 FFADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C1CCC(F)(F)CC1)C2 ZINC001246656174 1039428724 /nfs/dbraw/zinc/42/87/24/1039428724.db2.gz CAKYFJTWXHTYOF-ZIAGYGMSSA-N 1 3 370.362 2.581 20 0 FFADHO C[C@H]1C[C@H](N2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756738 1039467774 /nfs/dbraw/zinc/46/77/74/1039467774.db2.gz NUNOOBCTXYADHM-WMQCIHAUSA-N 1 3 361.505 2.885 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c2ccccc21 ZINC001246765962 1039471398 /nfs/dbraw/zinc/47/13/98/1039471398.db2.gz OGNAJWUZKOLWJE-KZNAEPCWSA-N 1 3 355.526 2.784 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c2ccccc21 ZINC001246765962 1039471409 /nfs/dbraw/zinc/47/14/09/1039471409.db2.gz OGNAJWUZKOLWJE-KZNAEPCWSA-N 1 3 355.526 2.784 20 0 FFADHO C[NH2+]C1CCC(N2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246808715 1039488109 /nfs/dbraw/zinc/48/81/09/1039488109.db2.gz YMSYDWNQORTXRC-JCYILVPMSA-N 1 3 352.320 2.926 20 0 FFADHO CC1(C)C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246809039 1039488554 /nfs/dbraw/zinc/48/85/54/1039488554.db2.gz ZQJMSOWKSQWECK-HOTGVXAUSA-N 1 3 352.320 2.926 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC001252408611 1039533173 /nfs/dbraw/zinc/53/31/73/1039533173.db2.gz GNXYYWOEVDUWAL-ACRUOGEOSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC001252408611 1039533182 /nfs/dbraw/zinc/53/31/82/1039533182.db2.gz GNXYYWOEVDUWAL-ACRUOGEOSA-N 1 3 370.541 2.885 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001210477135 1039570247 /nfs/dbraw/zinc/57/02/47/1039570247.db2.gz ONZQXCMKYXMTOS-DYESRHJHSA-N 1 3 368.525 2.903 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001210477135 1039570260 /nfs/dbraw/zinc/57/02/60/1039570260.db2.gz ONZQXCMKYXMTOS-DYESRHJHSA-N 1 3 368.525 2.903 20 0 FFADHO CCCCCCN1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252927061 1039804543 /nfs/dbraw/zinc/80/45/43/1039804543.db2.gz DWIAIODKHBMCPK-QFIPXVFZSA-N 1 3 359.558 2.821 20 0 FFADHO CCCCCCN1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252927061 1039804552 /nfs/dbraw/zinc/80/45/52/1039804552.db2.gz DWIAIODKHBMCPK-QFIPXVFZSA-N 1 3 359.558 2.821 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001253182703 1040027587 /nfs/dbraw/zinc/02/75/87/1040027587.db2.gz SNIAKUZZNOBWSS-XLIONFOSSA-N 1 3 369.550 2.555 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001253182703 1040027604 /nfs/dbraw/zinc/02/76/04/1040027604.db2.gz SNIAKUZZNOBWSS-XLIONFOSSA-N 1 3 369.550 2.555 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001253193693 1040034523 /nfs/dbraw/zinc/03/45/23/1040034523.db2.gz HOGUUPCETCVIBJ-ZCNNSNEGSA-N 1 3 362.514 2.500 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001253193693 1040034544 /nfs/dbraw/zinc/03/45/44/1040034544.db2.gz HOGUUPCETCVIBJ-ZCNNSNEGSA-N 1 3 362.514 2.500 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC001253207392 1040046196 /nfs/dbraw/zinc/04/61/96/1040046196.db2.gz GPCUNPWXEUWMRQ-CQSZACIVSA-N 1 3 373.419 2.901 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2c1cccc2Br ZINC001253211478 1040047637 /nfs/dbraw/zinc/04/76/37/1040047637.db2.gz XDXYJWDUGGYKCC-AWEZNQCLSA-N 1 3 368.319 2.765 20 0 FFADHO COCCn1cc(C[NH+]2CCC3(CN(CCCC(F)(F)F)C3)CC2)cn1 ZINC001278712731 1040116115 /nfs/dbraw/zinc/11/61/15/1040116115.db2.gz KCAFZMLSJZLXIN-UHFFFAOYSA-N 1 3 374.451 2.770 20 0 FFADHO CC[NH+]1CCC(NC[C@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001253431743 1040178557 /nfs/dbraw/zinc/17/85/57/1040178557.db2.gz ZOEGVZAJYIYILE-IBGZPJMESA-N 1 3 362.514 2.576 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Sc4ccccc4)CC3)CC2)CC1 ZINC001253485291 1040205326 /nfs/dbraw/zinc/20/53/26/1040205326.db2.gz RCNPQTMSBXYGKI-UHFFFAOYSA-N 1 3 373.566 2.986 20 0 FFADHO CCCCC[C@H](O)CNCCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001253552400 1040238440 /nfs/dbraw/zinc/23/84/40/1040238440.db2.gz AAABJGCSSDZPMY-KRWDZBQOSA-N 1 3 359.555 2.754 20 0 FFADHO CCCCC[C@H](O)CNCCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001253552400 1040238451 /nfs/dbraw/zinc/23/84/51/1040238451.db2.gz AAABJGCSSDZPMY-KRWDZBQOSA-N 1 3 359.555 2.754 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322912 1040449796 /nfs/dbraw/zinc/44/97/96/1040449796.db2.gz VZRJAJRAYYAMQU-FBYXPACISA-N 1 3 365.562 2.670 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322912 1040449803 /nfs/dbraw/zinc/44/98/03/1040449803.db2.gz VZRJAJRAYYAMQU-FBYXPACISA-N 1 3 365.562 2.670 20 0 FFADHO C[N@H+](C[C@@H]1Cc2ccccc2O1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254042244 1040543602 /nfs/dbraw/zinc/54/36/02/1040543602.db2.gz BMUVMUGOUGIROT-NRFANRHFSA-N 1 3 366.505 2.949 20 0 FFADHO C[N@@H+](C[C@@H]1Cc2ccccc2O1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254042244 1040543620 /nfs/dbraw/zinc/54/36/20/1040543620.db2.gz BMUVMUGOUGIROT-NRFANRHFSA-N 1 3 366.505 2.949 20 0 FFADHO OCC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001254048328 1040548985 /nfs/dbraw/zinc/54/89/85/1040548985.db2.gz IORPSYIFSSMKIN-OAQYLSRUSA-N 1 3 372.484 2.866 20 0 FFADHO Cc1cccc(OCC[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254049615 1040549629 /nfs/dbraw/zinc/54/96/29/1040549629.db2.gz GLOSISGJOROFOM-UHFFFAOYSA-N 1 3 354.494 2.991 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213574907 1040686272 /nfs/dbraw/zinc/68/62/72/1040686272.db2.gz PHFVBRAVNDBLQC-KJYWSYJISA-N 1 3 359.514 2.534 20 0 FFADHO COc1ccsc1CN1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001278780666 1040694009 /nfs/dbraw/zinc/69/40/09/1040694009.db2.gz OTEXHWNENOICHS-LJQANCHMSA-N 1 3 351.560 2.996 20 0 FFADHO COc1ccsc1CN1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001278780666 1040694016 /nfs/dbraw/zinc/69/40/16/1040694016.db2.gz OTEXHWNENOICHS-LJQANCHMSA-N 1 3 351.560 2.996 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1OC)C(C)C ZINC001213593392 1040700142 /nfs/dbraw/zinc/70/01/42/1040700142.db2.gz XLFGTFVDOSVATC-GUDVDZBRSA-N 1 3 355.567 2.604 20 0 FFADHO CC(=O)N1CCC([NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)CC1 ZINC001254423734 1040711946 /nfs/dbraw/zinc/71/19/46/1040711946.db2.gz LPFUHADEAMYXCI-FQEVSTJZSA-N 1 3 359.514 2.967 20 0 FFADHO Cc1nc(C(F)(F)F)ccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001278788843 1040742042 /nfs/dbraw/zinc/74/20/42/1040742042.db2.gz FEVVGIXYBKTGOO-HOTGVXAUSA-N 1 3 356.436 2.619 20 0 FFADHO Cc1nc(C(F)(F)F)ccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001278788843 1040742060 /nfs/dbraw/zinc/74/20/60/1040742060.db2.gz FEVVGIXYBKTGOO-HOTGVXAUSA-N 1 3 356.436 2.619 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)CC1 ZINC001254520461 1040768476 /nfs/dbraw/zinc/76/84/76/1040768476.db2.gz DQIUKSYKGLRDQP-IMBTUZDBSA-N 1 3 365.543 2.623 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)CC1 ZINC001254520461 1040768486 /nfs/dbraw/zinc/76/84/86/1040768486.db2.gz DQIUKSYKGLRDQP-IMBTUZDBSA-N 1 3 365.543 2.623 20 0 FFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685726 1040879654 /nfs/dbraw/zinc/87/96/54/1040879654.db2.gz HZTXAVGBYAHZGT-HUUCEWRRSA-N 1 3 355.548 2.555 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685726 1040879665 /nfs/dbraw/zinc/87/96/65/1040879665.db2.gz HZTXAVGBYAHZGT-HUUCEWRRSA-N 1 3 355.548 2.555 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685726 1040879674 /nfs/dbraw/zinc/87/96/74/1040879674.db2.gz HZTXAVGBYAHZGT-HUUCEWRRSA-N 1 3 355.548 2.555 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3c(F)cccc3Cl)C[C@H]2CC1 ZINC001278534717 1040993937 /nfs/dbraw/zinc/99/39/37/1040993937.db2.gz ODOZFBWYDHCTGH-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3c(F)cccc3Cl)C[C@H]2CC1 ZINC001278534717 1040993964 /nfs/dbraw/zinc/99/39/64/1040993964.db2.gz ODOZFBWYDHCTGH-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001213931877 1041081668 /nfs/dbraw/zinc/08/16/68/1041081668.db2.gz PUAYGFITSAIDDB-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001213931877 1041081684 /nfs/dbraw/zinc/08/16/84/1041081684.db2.gz PUAYGFITSAIDDB-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(c4cnccn4)C2)C3)cc1 ZINC001255131417 1041165347 /nfs/dbraw/zinc/16/53/47/1041165347.db2.gz NKGOZTZELXHVAW-MXEMCNAFSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(c4cnccn4)C2)C3)cc1 ZINC001255131417 1041165355 /nfs/dbraw/zinc/16/53/55/1041165355.db2.gz NKGOZTZELXHVAW-MXEMCNAFSA-N 1 3 363.509 2.841 20 0 FFADHO CCC[NH+](CCC)CCN1CCN(C2CCC(C(=O)OCC)CC2)CC1 ZINC001255263809 1041243601 /nfs/dbraw/zinc/24/36/01/1041243601.db2.gz TUGBCKWUUYIONO-UHFFFAOYSA-N 1 3 367.578 2.848 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001261492744 1041265873 /nfs/dbraw/zinc/26/58/73/1041265873.db2.gz SKMCHRKENRJXIR-UHFFFAOYSA-N 1 3 359.514 2.556 20 0 FFADHO C[N@@H+]1C[C@@]23CN(C(=O)[C@@]4(F)CCN(C(C)(C)C)C4)C[C@]2(C1)CCCC3 ZINC001538074364 1070335278 /nfs/dbraw/zinc/33/52/78/1070335278.db2.gz JPOZUUNZYJFIEY-HSALFYBXSA-N 1 3 351.510 2.533 20 0 FFADHO C[N@H+]1C[C@@]23CN(C(=O)[C@@]4(F)CCN(C(C)(C)C)C4)C[C@]2(C1)CCCC3 ZINC001538074364 1070335298 /nfs/dbraw/zinc/33/52/98/1070335298.db2.gz JPOZUUNZYJFIEY-HSALFYBXSA-N 1 3 351.510 2.533 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC001262094337 1041552898 /nfs/dbraw/zinc/55/28/98/1041552898.db2.gz GAAFFJUVKDHMDU-DNVCBOLYSA-N 1 3 370.497 2.854 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001214757081 1041563849 /nfs/dbraw/zinc/56/38/49/1041563849.db2.gz AMRLOXYQGFAFKC-ATZDWAIDSA-N 1 3 367.484 2.751 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOc2ccccc2C)C1 ZINC001214998407 1041639950 /nfs/dbraw/zinc/63/99/50/1041639950.db2.gz WPUOZASGEQVKSL-QZTJIDSGSA-N 1 3 361.530 2.541 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001262600654 1041746981 /nfs/dbraw/zinc/74/69/81/1041746981.db2.gz IPUJUQQALKAYCA-KOMQPUFPSA-N 1 3 372.435 2.516 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001215551356 1041826159 /nfs/dbraw/zinc/82/61/59/1041826159.db2.gz PHODARRWQJUHAO-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1 ZINC001216499202 1042042220 /nfs/dbraw/zinc/04/22/20/1042042220.db2.gz HIOUFJFHUQDHJJ-YLJYHZDGSA-N 1 3 361.530 2.752 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](CCOC)c2ccccc2)C1 ZINC001216510950 1042044964 /nfs/dbraw/zinc/04/49/64/1042044964.db2.gz GBLWOSUOWZAVAE-YZGWKJHDSA-N 1 3 361.530 2.543 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828751 1042138556 /nfs/dbraw/zinc/13/85/56/1042138556.db2.gz LYFLVXAWVNOCQH-YLJYHZDGSA-N 1 3 361.530 2.613 20 0 FFADHO CSCC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001263171121 1042147143 /nfs/dbraw/zinc/14/71/43/1042147143.db2.gz HJRRLGSJBOJVDU-KGLIPLIRSA-N 1 3 363.449 2.505 20 0 FFADHO C[C@H](C(=O)NC1CC2(CC([NH3+])C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC001263299379 1042227598 /nfs/dbraw/zinc/22/75/98/1042227598.db2.gz CRFYCJBMLDCNKV-UDNPVYIMSA-N 1 3 355.526 2.716 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2C)C1)N(C)C ZINC001263926566 1042536911 /nfs/dbraw/zinc/53/69/11/1042536911.db2.gz VVSZFXQTMLEADG-UHOSZYNNSA-N 1 3 361.530 2.718 20 0 FFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001263932984 1042541795 /nfs/dbraw/zinc/54/17/95/1042541795.db2.gz IAYHXRBRFGGTIG-ZIFCJYIRSA-N 1 3 361.530 2.971 20 0 FFADHO CSc1ccc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)cc1 ZINC001279188556 1042938873 /nfs/dbraw/zinc/93/88/73/1042938873.db2.gz NQTFOHJZPFXSDW-UHFFFAOYSA-N 1 3 361.555 2.785 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4cccc(F)n4)C[C@H]3CC2)n(C)n1 ZINC001279227566 1042954995 /nfs/dbraw/zinc/95/49/95/1042954995.db2.gz ZWEGQDVIXHJKJZ-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4cccc(F)n4)C[C@H]3CC2)n(C)n1 ZINC001279227566 1042955000 /nfs/dbraw/zinc/95/50/00/1042955000.db2.gz ZWEGQDVIXHJKJZ-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO CCOc1cc(O)cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001279364529 1043029288 /nfs/dbraw/zinc/02/92/88/1043029288.db2.gz QFJSFGAYJQRTHC-RTWAWAEBSA-N 1 3 361.530 2.877 20 0 FFADHO Cc1cccc(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)c1F ZINC001279399033 1043056336 /nfs/dbraw/zinc/05/63/36/1043056336.db2.gz BILBLJVRJVYMAJ-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3ccc(F)c(F)c3F)C[C@H]2CC1 ZINC001279433926 1043108289 /nfs/dbraw/zinc/10/82/89/1043108289.db2.gz JGLBZRSTQAYHHH-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3ccc(F)c(F)c3F)C[C@H]2CC1 ZINC001279433926 1043108294 /nfs/dbraw/zinc/10/82/94/1043108294.db2.gz JGLBZRSTQAYHHH-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccc(N)cc1Cl)CC2 ZINC001279496797 1043186559 /nfs/dbraw/zinc/18/65/59/1043186559.db2.gz DRCQQZHDPBBAET-UHFFFAOYSA-N 1 3 350.938 2.772 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccc(N)cc1Cl)CC2 ZINC001279496797 1043186564 /nfs/dbraw/zinc/18/65/64/1043186564.db2.gz DRCQQZHDPBBAET-UHFFFAOYSA-N 1 3 350.938 2.772 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCCC3(CN(C(=O)Cc4ccsc4)C3)C2)C1 ZINC001279501463 1043194262 /nfs/dbraw/zinc/19/42/62/1043194262.db2.gz GUTHGLUQHKZPDP-GOSISDBHSA-N 1 3 361.555 2.557 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCCC3(CN(C(=O)Cc4ccsc4)C3)C2)C1 ZINC001279501463 1043194270 /nfs/dbraw/zinc/19/42/70/1043194270.db2.gz GUTHGLUQHKZPDP-GOSISDBHSA-N 1 3 361.555 2.557 20 0 FFADHO CC[C@@H](CCC(=O)OC)C[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278105872 1043206046 /nfs/dbraw/zinc/20/60/46/1043206046.db2.gz YEZAVIKYWOJAKQ-YTQUADARSA-N 1 3 362.518 2.533 20 0 FFADHO CC[C@@H](CCC(=O)OC)C[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278105872 1043206054 /nfs/dbraw/zinc/20/60/54/1043206054.db2.gz YEZAVIKYWOJAKQ-YTQUADARSA-N 1 3 362.518 2.533 20 0 FFADHO CCCc1ccc(CN2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)s1 ZINC001279583260 1043293324 /nfs/dbraw/zinc/29/33/24/1043293324.db2.gz UMTRHJYNEIANLM-FQEVSTJZSA-N 1 3 365.587 2.929 20 0 FFADHO COc1cc(C)c(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001279591526 1043304851 /nfs/dbraw/zinc/30/48/51/1043304851.db2.gz LRKMUHFRGRZHIX-UHFFFAOYSA-N 1 3 355.486 2.610 20 0 FFADHO COc1cc(C)c(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001279591526 1043304854 /nfs/dbraw/zinc/30/48/54/1043304854.db2.gz LRKMUHFRGRZHIX-UHFFFAOYSA-N 1 3 355.486 2.610 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CC2(CN(CCc3c[nH]c4ccccc34)C2)C1 ZINC001279591775 1043305541 /nfs/dbraw/zinc/30/55/41/1043305541.db2.gz QOVGGHAIEHODIG-UHFFFAOYSA-N 1 3 354.542 2.916 20 0 FFADHO CCn1ccnc1CN1CC[C@@]2(C1)CCCN(CC(C)(C)C[NH+](C)C)C2 ZINC001279592598 1043306985 /nfs/dbraw/zinc/30/69/85/1043306985.db2.gz ZUNIYWHJWFLRJA-OAQYLSRUSA-N 1 3 361.578 2.779 20 0 FFADHO COc1ccc2oc(CN3CCCC4(CN(CC[NH+](C)C)C4)C3)cc2c1 ZINC001279619398 1043350829 /nfs/dbraw/zinc/35/08/29/1043350829.db2.gz ALTVVFUMCDHIEG-UHFFFAOYSA-N 1 3 357.498 2.901 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccc(N3CCCC3)o1)CC2 ZINC001279646904 1043397767 /nfs/dbraw/zinc/39/77/67/1043397767.db2.gz VWBPSOXABHVITP-UHFFFAOYSA-N 1 3 360.546 2.729 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccc(N3CCCC3)o1)CC2 ZINC001279646904 1043397772 /nfs/dbraw/zinc/39/77/72/1043397772.db2.gz VWBPSOXABHVITP-UHFFFAOYSA-N 1 3 360.546 2.729 20 0 FFADHO CCNC(=O)COC1CC[NH+](Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237879315 1043411531 /nfs/dbraw/zinc/41/15/31/1043411531.db2.gz LBMUJYZZYMULIM-UHFFFAOYSA-N 1 3 371.525 2.805 20 0 FFADHO CCOc1cc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)ccn1 ZINC001279810989 1043686074 /nfs/dbraw/zinc/68/60/74/1043686074.db2.gz NAPLUAKWGVFTBA-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO CCOc1cc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)ccn1 ZINC001279810989 1043686084 /nfs/dbraw/zinc/68/60/84/1043686084.db2.gz NAPLUAKWGVFTBA-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO Cc1ncc(CNC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CCCC2)s1 ZINC001278240354 1043742796 /nfs/dbraw/zinc/74/27/96/1043742796.db2.gz AAWNSQIZLYVYFV-XWIAVFTESA-N 1 3 364.559 2.556 20 0 FFADHO Cc1ncc(CNC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CCCC2)s1 ZINC001278240354 1043742812 /nfs/dbraw/zinc/74/28/12/1043742812.db2.gz AAWNSQIZLYVYFV-XWIAVFTESA-N 1 3 364.559 2.556 20 0 FFADHO O=C([C@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2)N1CCCCO1 ZINC001279844256 1043760646 /nfs/dbraw/zinc/76/06/46/1043760646.db2.gz NJLAWJHJLGAMBS-TZIWHRDSSA-N 1 3 363.546 2.909 20 0 FFADHO CCCCCCN1CC2(C1)SCC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001279862547 1043790252 /nfs/dbraw/zinc/79/02/52/1043790252.db2.gz AVORDOPKQMZBDE-GOSISDBHSA-N 1 3 367.603 2.927 20 0 FFADHO CC(C)(C)NC(=O)C1CC[NH+](C2CCN(CC3CCOCC3)CC2)CC1 ZINC001279892542 1043867348 /nfs/dbraw/zinc/86/73/48/1043867348.db2.gz QRQZQMCAAYNDBS-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2Cl)C3)CC1 ZINC001279948904 1043968863 /nfs/dbraw/zinc/96/88/63/1043968863.db2.gz PODFPCWCSHPYOB-OXQOHEQNSA-N 1 3 361.917 2.715 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)C2)cc1 ZINC001311879152 1043994093 /nfs/dbraw/zinc/99/40/93/1043994093.db2.gz XWQKVGFMBUVYON-ZCNNSNEGSA-N 1 3 358.530 2.741 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H]1CCCCN1C ZINC001312219317 1044071993 /nfs/dbraw/zinc/07/19/93/1044071993.db2.gz OYKSWPSKJBNJQM-GGPKGHCWSA-N 1 3 372.557 2.927 20 0 FFADHO NCCC[NH2+]CCCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001239252915 1044085058 /nfs/dbraw/zinc/08/50/58/1044085058.db2.gz KTVLJOHFBZLSQA-UHFFFAOYSA-N 1 3 352.788 2.809 20 0 FFADHO CN(C)CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001239307380 1044095155 /nfs/dbraw/zinc/09/51/55/1044095155.db2.gz BHBCRYRYYMLIRO-AWEZNQCLSA-N 1 3 374.407 2.733 20 0 FFADHO Cc1cc(F)cc(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)c1 ZINC001278298815 1044130254 /nfs/dbraw/zinc/13/02/54/1044130254.db2.gz AWHCPXWQWINSTG-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001280050863 1044140494 /nfs/dbraw/zinc/14/04/94/1044140494.db2.gz INZLEMSPKZRTRO-IIDMSEBBSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001280050863 1044140499 /nfs/dbraw/zinc/14/04/99/1044140499.db2.gz INZLEMSPKZRTRO-IIDMSEBBSA-N 1 3 365.468 2.633 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2C[C@@H]3CCN(CC(F)F)[C@@H]3C2)cc1 ZINC001280079040 1044178514 /nfs/dbraw/zinc/17/85/14/1044178514.db2.gz QIYCGFDGGHSIMG-PKOBYXMFSA-N 1 3 367.484 2.788 20 0 FFADHO CCc1ccc2c(c1)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC001312995475 1044207895 /nfs/dbraw/zinc/20/78/95/1044207895.db2.gz KOFWLSMVRYSNQE-KRWDZBQOSA-N 1 3 360.546 2.589 20 0 FFADHO CCc1ccc2c(c1)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC001312995475 1044207904 /nfs/dbraw/zinc/20/79/04/1044207904.db2.gz KOFWLSMVRYSNQE-KRWDZBQOSA-N 1 3 360.546 2.589 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CC[N@H+](CC)C2)C[C@H]1C ZINC001313893465 1044439998 /nfs/dbraw/zinc/43/99/98/1044439998.db2.gz OJVDZQCYXXDVOF-SQNIBIBYSA-N 1 3 374.577 2.806 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CC[N@@H+](CC)C2)C[C@H]1C ZINC001313893465 1044440002 /nfs/dbraw/zinc/44/00/02/1044440002.db2.gz OJVDZQCYXXDVOF-SQNIBIBYSA-N 1 3 374.577 2.806 20 0 FFADHO CC[NH+]1CCC(CN2CC[C@@H]3C[C@@]32C(=O)NC2CCC(F)CC2)CC1 ZINC001280250897 1044473590 /nfs/dbraw/zinc/47/35/90/1044473590.db2.gz SQHJABRBWVWTLE-KMEYYKJISA-N 1 3 351.510 2.580 20 0 FFADHO c1ccc(CN2CC=C(c3cnc(OC4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001241507067 1044531112 /nfs/dbraw/zinc/53/11/12/1044531112.db2.gz JSYVSKRDUXBHHX-UHFFFAOYSA-N 1 3 350.466 2.897 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001321742755 1045781155 /nfs/dbraw/zinc/78/11/55/1045781155.db2.gz GYOCDRXZRPMQIY-MOPGFXCFSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001324934986 1046294144 /nfs/dbraw/zinc/29/41/44/1046294144.db2.gz AAJJMVXAJYVCQL-OZOXKJRCSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC001324934986 1046294158 /nfs/dbraw/zinc/29/41/58/1046294158.db2.gz AAJJMVXAJYVCQL-OZOXKJRCSA-N 1 3 361.505 2.884 20 0 FFADHO CS(=O)(=O)c1ccc(CNCC2CC[NH+](Cc3cccs3)CC2)o1 ZINC001325288796 1046453367 /nfs/dbraw/zinc/45/33/67/1046453367.db2.gz HYCVCQGXTWXBBO-UHFFFAOYSA-N 1 3 368.524 2.746 20 0 FFADHO CC(C)C[NH2+]CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001326596697 1046994334 /nfs/dbraw/zinc/99/43/34/1046994334.db2.gz ZDJRJNYDXCERPE-UHFFFAOYSA-N 1 3 359.436 2.841 20 0 FFADHO c1ncn(-c2cc(CNC3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccccc3)C4)ccn2)n1 ZINC001332904746 1048615475 /nfs/dbraw/zinc/61/54/75/1048615475.db2.gz BWKUMWICRZZBDN-RLAPIPATSA-N 1 3 374.492 2.663 20 0 FFADHO c1ncn(-c2cc(CNC3[C@@H]4CC[C@H]3C[N@H+](Cc3ccccc3)C4)ccn2)n1 ZINC001332904746 1048615481 /nfs/dbraw/zinc/61/54/81/1048615481.db2.gz BWKUMWICRZZBDN-RLAPIPATSA-N 1 3 374.492 2.663 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001329441040 1048720995 /nfs/dbraw/zinc/72/09/95/1048720995.db2.gz MDPLEJVWGVUUTK-CKEIUWERSA-N 1 3 371.447 2.982 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001329441040 1048721003 /nfs/dbraw/zinc/72/10/03/1048721003.db2.gz MDPLEJVWGVUUTK-CKEIUWERSA-N 1 3 371.447 2.982 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CCCN1C(C)C ZINC001541105849 1071053619 /nfs/dbraw/zinc/05/36/19/1071053619.db2.gz XEJGBAMEBANDAO-LJQANCHMSA-N 1 3 361.530 2.896 20 0 FFADHO O[C@@]1(C2CC2)CCN(Cc2cc(C[N@@H+]3CC[C@](O)(C4CC4)C3)ccc2F)C1 ZINC001330598446 1049223253 /nfs/dbraw/zinc/22/32/53/1049223253.db2.gz KQLQVKRTQVZFGG-YADHBBJMSA-N 1 3 374.500 2.519 20 0 FFADHO O[C@@]1(C2CC2)CCN(Cc2cc(C[N@H+]3CC[C@](O)(C4CC4)C3)ccc2F)C1 ZINC001330598446 1049223263 /nfs/dbraw/zinc/22/32/63/1049223263.db2.gz KQLQVKRTQVZFGG-YADHBBJMSA-N 1 3 374.500 2.519 20 0 FFADHO CCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCN1CC=CCC1 ZINC001293131610 1049490916 /nfs/dbraw/zinc/49/09/16/1049490916.db2.gz QDOHHGDRIWSZHN-UHFFFAOYSA-N 1 3 374.577 2.661 20 0 FFADHO CCCN(C(=O)CO[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC001341522815 1050154233 /nfs/dbraw/zinc/15/42/33/1050154233.db2.gz WLXRBSWYSKJKHG-OAQYLSRUSA-N 1 3 373.541 2.658 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc4c(s3)CNCC4)C2)CC1 ZINC001341584353 1050210565 /nfs/dbraw/zinc/21/05/65/1050210565.db2.gz FYQACAJRFOJVCQ-INIZCTEOSA-N 1 3 361.555 2.978 20 0 FFADHO CN(C(=O)c1ccc2c(c1)OCC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001341806669 1050419726 /nfs/dbraw/zinc/41/97/26/1050419726.db2.gz VOELOJUJCPJKBZ-HXUWFJFHSA-N 1 3 365.477 2.515 20 0 FFADHO C[C@@H]([NH3+])C1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CCOCC1 ZINC001340056620 1050465923 /nfs/dbraw/zinc/46/59/23/1050465923.db2.gz MUDNXPIFQIVCIQ-UYAOXDASSA-N 1 3 373.541 2.720 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@]34CC[NH2+][C@H]3CCCC4)cc2)CC1 ZINC001340242640 1050650615 /nfs/dbraw/zinc/65/06/15/1050650615.db2.gz UZOYZTLJOWQVKO-PZJWPPBQSA-N 1 3 356.514 2.689 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3[NH2+]CC34CCCC4)c(C)c2)CC1 ZINC001340892245 1051220753 /nfs/dbraw/zinc/22/07/53/1051220753.db2.gz CWNNMPHMXJUHNH-LJQANCHMSA-N 1 3 356.514 2.608 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CC3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001303191126 1051298175 /nfs/dbraw/zinc/29/81/75/1051298175.db2.gz UMERKQQFIDEQTE-UHFFFAOYSA-N 1 3 374.577 2.665 20 0 FFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342756338 1051372473 /nfs/dbraw/zinc/37/24/73/1051372473.db2.gz HKWLIDPVHYAKPY-WKRCXCSHSA-N 1 3 369.509 2.512 20 0 FFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342756338 1051372480 /nfs/dbraw/zinc/37/24/80/1051372480.db2.gz HKWLIDPVHYAKPY-WKRCXCSHSA-N 1 3 369.509 2.512 20 0 FFADHO C[C@H](C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCCC1 ZINC001342984833 1051601032 /nfs/dbraw/zinc/60/10/32/1051601032.db2.gz ROMDAFDVEHZNPV-MMOPVJDHSA-N 1 3 357.498 2.623 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C[NH3+])C2CCCCCC2)CC1 ZINC001341478148 1051834097 /nfs/dbraw/zinc/83/40/97/1051834097.db2.gz URGPBJSNSFXHRF-LJQANCHMSA-N 1 3 365.562 2.635 20 0 FFADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001344890722 1052104597 /nfs/dbraw/zinc/10/45/97/1052104597.db2.gz PUNIAKYTJSJKFE-IEBWSBKVSA-N 1 3 361.530 2.547 20 0 FFADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001344890722 1052104606 /nfs/dbraw/zinc/10/46/06/1052104606.db2.gz PUNIAKYTJSJKFE-IEBWSBKVSA-N 1 3 361.530 2.547 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)[C@H](C)C1 ZINC001345100837 1052257704 /nfs/dbraw/zinc/25/77/04/1052257704.db2.gz ZXUFQTOQUXSIJN-NEWSRXKRSA-N 1 3 374.577 2.664 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)[C@H](C)C1 ZINC001345100837 1052257711 /nfs/dbraw/zinc/25/77/11/1052257711.db2.gz ZXUFQTOQUXSIJN-NEWSRXKRSA-N 1 3 374.577 2.664 20 0 FFADHO CN(Cc1cncc(Cl)c1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001308742676 1052494074 /nfs/dbraw/zinc/49/40/74/1052494074.db2.gz KTTTWGXAHKNUPF-HNNXBMFYSA-N 1 3 357.329 2.989 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)OC[C@H]3Cc3ccccc3)C[C@H]2C1 ZINC001335251180 1053268586 /nfs/dbraw/zinc/26/85/86/1053268586.db2.gz AIQHDPOZZCSTJB-UAFMIMERSA-N 1 3 357.498 2.670 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC2CC3(CC([NH3+])C3)C2)N(C)C)cc1 ZINC001335570664 1053442394 /nfs/dbraw/zinc/44/23/94/1053442394.db2.gz QIKKDGVHQOZRFA-GXMUVECYSA-N 1 3 362.543 2.580 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC001336014905 1053706274 /nfs/dbraw/zinc/70/62/74/1053706274.db2.gz AEJJAEIIIUKQLS-ZBFHGGJFSA-N 1 3 371.319 2.510 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CCC[N@H+](CC4CC4)C3)c2cc1C ZINC001336797873 1054235394 /nfs/dbraw/zinc/23/53/94/1054235394.db2.gz FTYIXXXMFSNRNH-VQTJNVASSA-N 1 3 370.541 2.726 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CCC[N@@H+](CC4CC4)C3)c2cc1C ZINC001336797873 1054235403 /nfs/dbraw/zinc/23/54/03/1054235403.db2.gz FTYIXXXMFSNRNH-VQTJNVASSA-N 1 3 370.541 2.726 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001349517277 1055311861 /nfs/dbraw/zinc/31/18/61/1055311861.db2.gz HRDPXCKIGLFVHG-HMXCVIKNSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001349517277 1055311872 /nfs/dbraw/zinc/31/18/72/1055311872.db2.gz HRDPXCKIGLFVHG-HMXCVIKNSA-N 1 3 370.541 2.633 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC[C@@H](SC)C3)CC2)CC1 ZINC001349811859 1055481223 /nfs/dbraw/zinc/48/12/23/1055481223.db2.gz OLBKEVFXSAWAAN-RBUKOAKNSA-N 1 3 367.603 2.925 20 0 FFADHO Cc1nccn1-c1ccccc1CNC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001356533253 1055561103 /nfs/dbraw/zinc/56/11/03/1055561103.db2.gz PJKRDWVAVHJEOZ-NRFANRHFSA-N 1 3 364.493 2.763 20 0 FFADHO Cc1nccn1-c1ccccc1CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001356533253 1055561117 /nfs/dbraw/zinc/56/11/17/1055561117.db2.gz PJKRDWVAVHJEOZ-NRFANRHFSA-N 1 3 364.493 2.763 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC001338810419 1055836457 /nfs/dbraw/zinc/83/64/57/1055836457.db2.gz ZSSFGTXWCLVYFV-VQTJNVASSA-N 1 3 374.598 2.988 20 0 FFADHO C[C@@H]1CN(C(=O)NCCCCCC2CC[NH2+]CC2)CCN(C2CC2)C1 ZINC001353466494 1056429097 /nfs/dbraw/zinc/42/90/97/1056429097.db2.gz GZICMXDITHSKSK-KRWDZBQOSA-N 1 3 350.551 2.672 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc(N)ccn1 ZINC001353478419 1056439898 /nfs/dbraw/zinc/43/98/98/1056439898.db2.gz WMYOYEKHJTZQQP-IBGZPJMESA-N 1 3 367.497 2.764 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cc(N)ccn1 ZINC001353478419 1056439902 /nfs/dbraw/zinc/43/99/02/1056439902.db2.gz WMYOYEKHJTZQQP-IBGZPJMESA-N 1 3 367.497 2.764 20 0 FFADHO [NH2+]=C(NCCc1cccs1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000849104187 1056762203 /nfs/dbraw/zinc/76/22/03/1056762203.db2.gz LVWVTFQZHMHDLX-SFHVURJKSA-N 1 3 372.538 2.696 20 0 FFADHO CC(C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OCC1CC1 ZINC000849116979 1056770612 /nfs/dbraw/zinc/77/06/12/1056770612.db2.gz XMMDRQPYYAFWOQ-UHFFFAOYSA-N 1 3 358.530 2.970 20 0 FFADHO C[C@@H]1C[C@@H](NC(=S)NCCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001200439765 1058181952 /nfs/dbraw/zinc/18/19/52/1058181952.db2.gz WJPBZTDBTDWTQY-QUCCMNQESA-N 1 3 374.598 2.990 20 0 FFADHO C[C@@H]1C[C@@H](NC(=S)NCCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001200439765 1058181962 /nfs/dbraw/zinc/18/19/62/1058181962.db2.gz WJPBZTDBTDWTQY-QUCCMNQESA-N 1 3 374.598 2.990 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001545561853 1071801437 /nfs/dbraw/zinc/80/14/37/1071801437.db2.gz INAUSYYYDGACRU-DLBZAZTESA-N 1 3 374.577 2.806 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001545561853 1071801459 /nfs/dbraw/zinc/80/14/59/1071801459.db2.gz INAUSYYYDGACRU-DLBZAZTESA-N 1 3 374.577 2.806 20 0 FFADHO CC[N@H+](CCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1)C(C)C ZINC001502186078 1058774800 /nfs/dbraw/zinc/77/48/00/1058774800.db2.gz ZCQLQJVPNQIROB-UHFFFAOYSA-N 1 3 362.566 2.664 20 0 FFADHO CC[N@@H+](CCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1)C(C)C ZINC001502186078 1058774819 /nfs/dbraw/zinc/77/48/19/1058774819.db2.gz ZCQLQJVPNQIROB-UHFFFAOYSA-N 1 3 362.566 2.664 20 0 FFADHO C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C(C)(C)C1 ZINC001456175744 1060034716 /nfs/dbraw/zinc/03/47/16/1060034716.db2.gz LCCOWQTZSJVJTL-DLBZAZTESA-N 1 3 365.468 2.600 20 0 FFADHO C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C(C)(C)C1 ZINC001456175744 1060034733 /nfs/dbraw/zinc/03/47/33/1060034733.db2.gz LCCOWQTZSJVJTL-DLBZAZTESA-N 1 3 365.468 2.600 20 0 FFADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc2c1OCCNC2 ZINC001521413776 1060583350 /nfs/dbraw/zinc/58/33/50/1060583350.db2.gz BOPMVCRXJBKHSC-HXUWFJFHSA-N 1 3 365.477 2.736 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)OCC[NH2+]C3)CN1Cc1ccccc1 ZINC001521496012 1060620403 /nfs/dbraw/zinc/62/04/03/1060620403.db2.gz ODVBJRVTQBFLKG-OXJNMPFZSA-N 1 3 365.477 2.561 20 0 FFADHO CC[C@H](C)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001512860874 1060731908 /nfs/dbraw/zinc/73/19/08/1060731908.db2.gz KCBRTRONLRZSDO-RCCFBDPRSA-N 1 3 362.566 2.806 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001459526984 1060772122 /nfs/dbraw/zinc/77/21/22/1060772122.db2.gz HIVRVNYFSGRBAV-QKNQBKEWSA-N 1 3 366.546 2.811 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC[C@@H]3O)C2)ccn1 ZINC001460506320 1061005829 /nfs/dbraw/zinc/00/58/29/1061005829.db2.gz NFJUWRLUPKEOCK-UIFIKXQLSA-N 1 3 361.530 2.926 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC[C@@H]3O)C2)ccn1 ZINC001460506320 1061005847 /nfs/dbraw/zinc/00/58/47/1061005847.db2.gz NFJUWRLUPKEOCK-UIFIKXQLSA-N 1 3 361.530 2.926 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001360025773 1061877837 /nfs/dbraw/zinc/87/78/37/1061877837.db2.gz MPEDTANPMQWTCN-IBGZPJMESA-N 1 3 374.577 2.664 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC001478704288 1062089111 /nfs/dbraw/zinc/08/91/11/1062089111.db2.gz YHERRQYQPKLQBK-WMZOPIPTSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC001478704288 1062089129 /nfs/dbraw/zinc/08/91/29/1062089129.db2.gz YHERRQYQPKLQBK-WMZOPIPTSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001478956973 1062161455 /nfs/dbraw/zinc/16/14/55/1062161455.db2.gz KAJRRUYUFVLWAC-SNRMKQJTSA-N 1 3 364.509 2.583 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001478956973 1062161477 /nfs/dbraw/zinc/16/14/77/1062161477.db2.gz KAJRRUYUFVLWAC-SNRMKQJTSA-N 1 3 364.509 2.583 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC001479490884 1062476431 /nfs/dbraw/zinc/47/64/31/1062476431.db2.gz OFANTHZZUVOVDO-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC001479490884 1062476436 /nfs/dbraw/zinc/47/64/36/1062476436.db2.gz OFANTHZZUVOVDO-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC001479490884 1062476443 /nfs/dbraw/zinc/47/64/43/1062476443.db2.gz OFANTHZZUVOVDO-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC001479490884 1062476447 /nfs/dbraw/zinc/47/64/47/1062476447.db2.gz OFANTHZZUVOVDO-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001525295761 1063239550 /nfs/dbraw/zinc/23/95/50/1063239550.db2.gz FMRFDDWOCDHLIW-OAQYLSRUSA-N 1 3 363.521 2.832 20 0 FFADHO CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001493952110 1063260038 /nfs/dbraw/zinc/26/00/38/1063260038.db2.gz PZCXIHCABRLLJB-YZGWKJHDSA-N 1 3 365.562 2.599 20 0 FFADHO CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001493952110 1063260061 /nfs/dbraw/zinc/26/00/61/1063260061.db2.gz PZCXIHCABRLLJB-YZGWKJHDSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1cccc(Cl)c1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496062250 1063574517 /nfs/dbraw/zinc/57/45/17/1063574517.db2.gz TZUCDWQUVMKJDU-ARFHVFGLSA-N 1 3 351.922 2.925 20 0 FFADHO Cc1cccc(Cl)c1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496062250 1063574537 /nfs/dbraw/zinc/57/45/37/1063574537.db2.gz TZUCDWQUVMKJDU-ARFHVFGLSA-N 1 3 351.922 2.925 20 0 FFADHO CC[C@H](C)[N@H+](C)CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001496161376 1063592965 /nfs/dbraw/zinc/59/29/65/1063592965.db2.gz ZUTBDLXKDYEDEQ-GVDBMIGSSA-N 1 3 362.566 2.805 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001496161376 1063592980 /nfs/dbraw/zinc/59/29/80/1063592980.db2.gz ZUTBDLXKDYEDEQ-GVDBMIGSSA-N 1 3 362.566 2.805 20 0 FFADHO C[C@H](CN(C)CCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498287598 1063803592 /nfs/dbraw/zinc/80/35/92/1063803592.db2.gz IGEKWQVJFXUIDE-RBSFLKMASA-N 1 3 369.912 2.798 20 0 FFADHO C[C@H](CN(C)CCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498287598 1063803594 /nfs/dbraw/zinc/80/35/94/1063803594.db2.gz IGEKWQVJFXUIDE-RBSFLKMASA-N 1 3 369.912 2.798 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001468023907 1063912204 /nfs/dbraw/zinc/91/22/04/1063912204.db2.gz NWRDDQMQABONJA-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001468023907 1063912214 /nfs/dbraw/zinc/91/22/14/1063912214.db2.gz NWRDDQMQABONJA-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO CC(C)[C@H](Cn1c([C@@H]2CCCN2)nnc1N1CCC[C@H]1C)[NH+]1CCCC1 ZINC001575441691 1078140557 /nfs/dbraw/zinc/14/05/57/1078140557.db2.gz IGJFVEZMENAZNO-SQNIBIBYSA-N 1 3 360.550 2.812 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC001575807370 1078169607 /nfs/dbraw/zinc/16/96/07/1078169607.db2.gz PWTHWPINLZMKLH-XUCOLVGOSA-N 1 3 359.514 2.749 20 0 FFADHO C[C@H](CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001576005602 1078186508 /nfs/dbraw/zinc/18/65/08/1078186508.db2.gz MZESPJROMOMIGK-KBAYOESNSA-N 1 3 350.528 2.515 20 0 FFADHO C[C@H](NC1CCN(CC[NH3+])CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001576239201 1078209754 /nfs/dbraw/zinc/20/97/54/1078209754.db2.gz LKGSCDKDRRIPAJ-JTQLQIEISA-N 1 3 350.816 2.828 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CN1Cc1ccccc1 ZINC001576617581 1078249883 /nfs/dbraw/zinc/24/98/83/1078249883.db2.gz ROUDDFRSTKHUOC-BOFXEDATSA-N 1 3 356.514 2.562 20 0 FFADHO CCN(CC)[C@@H](Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCCC1)c1ccco1 ZINC001577684980 1078387689 /nfs/dbraw/zinc/38/76/89/1078387689.db2.gz QUUUWWDNXIOAMR-BBWFWOEESA-N 1 3 372.517 2.759 20 0 FFADHO CC[NH2+]CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001577857953 1078408351 /nfs/dbraw/zinc/40/83/51/1078408351.db2.gz MXJKEQWYMLHUAC-CVEARBPZSA-N 1 3 374.508 2.613 20 0 FFADHO C[NH2+][C@@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001578613334 1078503530 /nfs/dbraw/zinc/50/35/30/1078503530.db2.gz XGFNLBXDPXXJQF-QZTJIDSGSA-N 1 3 374.508 2.642 20 0 FFADHO C[NH2+]C[C@H]1CCN(c2nnc(C(C)C)n2CCN(C)Cc2ccccc2)C1 ZINC001578670092 1078513589 /nfs/dbraw/zinc/51/35/89/1078513589.db2.gz YDSJDOCCOQVLEF-LJQANCHMSA-N 1 3 370.545 2.579 20 0 FFADHO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001580222246 1078767892 /nfs/dbraw/zinc/76/78/92/1078767892.db2.gz PCKMBENGGCCCHK-WOJBJXKFSA-N 1 3 358.530 2.858 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001580773726 1078859067 /nfs/dbraw/zinc/85/90/67/1078859067.db2.gz BKDNURCZJDPRFS-QGZVFWFLSA-N 1 3 358.486 2.697 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001580773726 1078859075 /nfs/dbraw/zinc/85/90/75/1078859075.db2.gz BKDNURCZJDPRFS-QGZVFWFLSA-N 1 3 358.486 2.697 20 0 FFADHO O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001550080714 1074139838 /nfs/dbraw/zinc/13/98/38/1074139838.db2.gz BFPLEWYDMZRQQG-ROUUACIJSA-N 1 3 359.489 2.544 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cccc(NC(C)=O)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422586 1074260692 /nfs/dbraw/zinc/26/06/92/1074260692.db2.gz ABAKITKYTPQBNK-MHTWAQMVSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cccc(NC(C)=O)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422586 1074260694 /nfs/dbraw/zinc/26/06/94/1074260694.db2.gz ABAKITKYTPQBNK-MHTWAQMVSA-N 1 3 359.514 2.604 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccc(F)cc3)C[N@@H+]2C1 ZINC001584084625 1079304002 /nfs/dbraw/zinc/30/40/02/1079304002.db2.gz OCZLLQAVYUTGFE-YVWKXTFCSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccc(F)cc3)C[N@H+]2C1 ZINC001584084625 1079304010 /nfs/dbraw/zinc/30/40/10/1079304010.db2.gz OCZLLQAVYUTGFE-YVWKXTFCSA-N 1 3 361.505 2.836 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NC2CC(C[NH3+])(c3ccccc3)C2)c1 ZINC001551308482 1074687648 /nfs/dbraw/zinc/68/76/48/1074687648.db2.gz KJNJBIFVRDZZSD-UHFFFAOYSA-N 1 3 352.482 2.929 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC001552152143 1075003633 /nfs/dbraw/zinc/00/36/33/1075003633.db2.gz DGVPDEZUDCRODD-ACRUOGEOSA-N 1 3 355.526 2.884 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@]34CCC[C@H]3[NH2+]CC4)c2)CC1 ZINC001552841264 1075157452 /nfs/dbraw/zinc/15/74/52/1075157452.db2.gz KPMLYNLWMONVRT-TZIWHRDSSA-N 1 3 356.514 2.688 20 0 FFADHO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc4c3CNC4)CC2)C[C@H](C)O1 ZINC001552919889 1075172598 /nfs/dbraw/zinc/17/25/98/1075172598.db2.gz PHZPPPRSDQFRJE-IRXDYDNUSA-N 1 3 371.525 2.641 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](C4CC4)C[C@H]3C3CC3)CC2)CC1 ZINC001552994917 1075188685 /nfs/dbraw/zinc/18/86/85/1075188685.db2.gz HAAGGGNUDGBPJY-NQIIRXRSSA-N 1 3 374.573 2.765 20 0 FFADHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)[C@H]1c1ccccc1 ZINC001553199466 1075255527 /nfs/dbraw/zinc/25/55/27/1075255527.db2.gz CZHCLGRQKVMTDT-FDKIHUSFSA-N 1 3 370.541 2.804 20 0 FFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cnc([C@H]2CCCN2)nc1 ZINC001553369826 1075293670 /nfs/dbraw/zinc/29/36/70/1075293670.db2.gz RSXUXRRJZRCCPO-GOSISDBHSA-N 1 3 371.529 2.820 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553416528 1075302834 /nfs/dbraw/zinc/30/28/34/1075302834.db2.gz KETUZELOYVUBCR-BRWVUGGUSA-N 1 3 362.543 2.526 20 0 FFADHO CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[C@H](C)N1 ZINC001557661942 1075871649 /nfs/dbraw/zinc/87/16/49/1075871649.db2.gz VDSLBLPWRMIITD-SXLOBPIMSA-N 1 3 355.526 2.888 20 0 FFADHO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H](C)N1 ZINC001557661942 1075871653 /nfs/dbraw/zinc/87/16/53/1075871653.db2.gz VDSLBLPWRMIITD-SXLOBPIMSA-N 1 3 355.526 2.888 20 0 FFADHO CC[C@@H]1C[C@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001559572900 1076174389 /nfs/dbraw/zinc/17/43/89/1076174389.db2.gz NWLMXFSOJPZBCA-CTNGQTDRSA-N 1 3 357.542 2.993 20 0 FFADHO COCC[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C)NC(=O)OC(C)(C)C ZINC001560947611 1076313005 /nfs/dbraw/zinc/31/30/05/1076313005.db2.gz CQGWLCJDYLFOIV-RCCFBDPRSA-N 1 3 371.566 2.968 20 0 FFADHO COCC[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C)NC(=O)OC(C)(C)C ZINC001560947611 1076313008 /nfs/dbraw/zinc/31/30/08/1076313008.db2.gz CQGWLCJDYLFOIV-RCCFBDPRSA-N 1 3 371.566 2.968 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CN1Cc1ccccc1 ZINC001564316916 1076625080 /nfs/dbraw/zinc/62/50/80/1076625080.db2.gz MTHVURRIWRBINH-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CN1Cc1ccccc1 ZINC001564316916 1076625082 /nfs/dbraw/zinc/62/50/82/1076625082.db2.gz MTHVURRIWRBINH-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC001565061849 1076681610 /nfs/dbraw/zinc/68/16/10/1076681610.db2.gz AZXYTZMZDPIUBV-MOPGFXCFSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)C2)cc1 ZINC001565061849 1076681612 /nfs/dbraw/zinc/68/16/12/1076681612.db2.gz AZXYTZMZDPIUBV-MOPGFXCFSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C2)cc1 ZINC001565244945 1076702899 /nfs/dbraw/zinc/70/28/99/1076702899.db2.gz OVDTZUCFEBVBGM-QHAWAJNXSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C2)cc1 ZINC001565244945 1076702905 /nfs/dbraw/zinc/70/29/05/1076702905.db2.gz OVDTZUCFEBVBGM-QHAWAJNXSA-N 1 3 370.541 2.695 20 0 FFADHO CCc1ccccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001565908113 1076794241 /nfs/dbraw/zinc/79/42/41/1076794241.db2.gz JHZJTIUXNUYLEY-LVCYWYKZSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cccc(Cl)n2)C(C)(C)C)CC[N@@H+]1C ZINC001571624402 1077257806 /nfs/dbraw/zinc/25/78/06/1077257806.db2.gz IWDJBCRAXNARGA-FVQBIDKESA-N 1 3 366.937 2.696 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cccc(Cl)n2)C(C)(C)C)CC[N@H+]1C ZINC001571624402 1077257809 /nfs/dbraw/zinc/25/78/09/1077257809.db2.gz IWDJBCRAXNARGA-FVQBIDKESA-N 1 3 366.937 2.696 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001587869810 1079882242 /nfs/dbraw/zinc/88/22/42/1079882242.db2.gz WMBRYLXDHWVMCR-GGPKGHCWSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001587869810 1079882255 /nfs/dbraw/zinc/88/22/55/1079882255.db2.gz WMBRYLXDHWVMCR-GGPKGHCWSA-N 1 3 371.525 2.716 20 0 FFADHO Brc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423160149 514064863 /nfs/dbraw/zinc/06/48/63/514064863.db2.gz HCAYYKRQEKAINC-IXDOHACOSA-N 1 3 353.304 2.738 20 0 FFADHO CN(C)CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000027396255 249344604 /nfs/dbraw/zinc/34/46/04/249344604.db2.gz YJWHYAYHJFFIMP-UHFFFAOYSA-N 1 3 372.513 2.926 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000105209248 250202938 /nfs/dbraw/zinc/20/29/38/250202938.db2.gz FQZFXPLBOOXRDN-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000153056519 251098387 /nfs/dbraw/zinc/09/83/87/251098387.db2.gz NXPOLMYZYQPEBQ-LNCBFAARSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000153056519 251098390 /nfs/dbraw/zinc/09/83/90/251098390.db2.gz NXPOLMYZYQPEBQ-LNCBFAARSA-N 1 3 360.420 2.763 20 0 FFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268811203 251390653 /nfs/dbraw/zinc/39/06/53/251390653.db2.gz KWRRLBVHXQVACV-MRXNPFEDSA-N 1 3 350.507 2.835 20 0 FFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268811203 251390655 /nfs/dbraw/zinc/39/06/55/251390655.db2.gz KWRRLBVHXQVACV-MRXNPFEDSA-N 1 3 350.507 2.835 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N1CCN(C)CC1 ZINC000268785837 251383404 /nfs/dbraw/zinc/38/34/04/251383404.db2.gz VNRVCKJHBOVOHA-WWNPGLIZSA-N 1 3 372.601 2.901 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)N1CCN(C)CC1 ZINC000268789898 251386906 /nfs/dbraw/zinc/38/69/06/251386906.db2.gz XJTZPYWPCDBLBO-WWNPGLIZSA-N 1 3 372.601 2.759 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C)CC1 ZINC000272696493 252104236 /nfs/dbraw/zinc/10/42/36/252104236.db2.gz XJAZUSBUZLNFOG-PMVMPFDFSA-N 1 3 372.601 2.759 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000272711070 252109893 /nfs/dbraw/zinc/10/98/93/252109893.db2.gz HRWAJYFYPPEWGI-WFXMLNOXSA-N 1 3 370.541 2.989 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000272711070 252109895 /nfs/dbraw/zinc/10/98/95/252109895.db2.gz HRWAJYFYPPEWGI-WFXMLNOXSA-N 1 3 370.541 2.989 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272603377 252077214 /nfs/dbraw/zinc/07/72/14/252077214.db2.gz XZEJAVUMVJRQMW-UYAOXDASSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272603377 252077218 /nfs/dbraw/zinc/07/72/18/252077218.db2.gz XZEJAVUMVJRQMW-UYAOXDASSA-N 1 3 360.546 2.879 20 0 FFADHO c1cn2c(n1)CC[C@H](C[NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000275597842 256028490 /nfs/dbraw/zinc/02/84/90/256028490.db2.gz QDDJOWCNXOIISG-ANULTFPQSA-N 1 3 350.510 2.946 20 0 FFADHO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000278118024 256278743 /nfs/dbraw/zinc/27/87/43/256278743.db2.gz LGXWPZWRYFFFQW-UHFFFAOYSA-N 1 3 370.541 2.778 20 0 FFADHO Cc1ccc([C@@H](CCn2cncn2)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278455379 256315017 /nfs/dbraw/zinc/31/50/17/256315017.db2.gz ISQPCABLNBXTBS-PZJWPPBQSA-N 1 3 371.529 2.808 20 0 FFADHO Cc1ccc([C@@H](CCn2cncn2)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278455379 256315018 /nfs/dbraw/zinc/31/50/18/256315018.db2.gz ISQPCABLNBXTBS-PZJWPPBQSA-N 1 3 371.529 2.808 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2(N4CCOCC4)CC2)C3)cc1 ZINC000278562729 256325647 /nfs/dbraw/zinc/32/56/47/256325647.db2.gz WRUIWEFXMOFALT-MZADTFQBSA-N 1 3 355.526 2.636 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2(N4CCOCC4)CC2)C3)cc1 ZINC000278562729 256325648 /nfs/dbraw/zinc/32/56/48/256325648.db2.gz WRUIWEFXMOFALT-MZADTFQBSA-N 1 3 355.526 2.636 20 0 FFADHO CC1CC[NH+](CCN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000285796565 257005270 /nfs/dbraw/zinc/00/52/70/257005270.db2.gz FPSRAFRQEKCMBU-QHCPKHFHSA-N 1 3 370.585 2.610 20 0 FFADHO CC[NH+](CC)CCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285845408 257007734 /nfs/dbraw/zinc/00/77/34/257007734.db2.gz HUZFLQRRRYLJGF-QFIPXVFZSA-N 1 3 358.574 2.610 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCN2CCN(CC)CC2)c2ccccc21 ZINC000283367128 256870602 /nfs/dbraw/zinc/87/06/02/256870602.db2.gz NRXVOQFONNELSP-SFTDATJTSA-N 1 3 373.541 2.785 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCN2CCN(CC)CC2)c2ccccc21 ZINC000283367117 256870766 /nfs/dbraw/zinc/87/07/66/256870766.db2.gz NRXVOQFONNELSP-LEWJYISDSA-N 1 3 373.541 2.785 20 0 FFADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000283839508 256902360 /nfs/dbraw/zinc/90/23/60/256902360.db2.gz AWSXJQWGODZZEA-OALUTQOASA-N 1 3 352.544 2.974 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285961394 257013405 /nfs/dbraw/zinc/01/34/05/257013405.db2.gz NDQJYJWJLTUDBP-DHIUTWEWSA-N 1 3 370.585 2.753 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285961394 257013406 /nfs/dbraw/zinc/01/34/06/257013406.db2.gz NDQJYJWJLTUDBP-DHIUTWEWSA-N 1 3 370.585 2.753 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286205220 257025492 /nfs/dbraw/zinc/02/54/92/257025492.db2.gz RWBFHQMBWGZKSY-OAGGEKHMSA-N 1 3 361.486 2.558 20 0 FFADHO CC(=O)NC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000287104279 257072060 /nfs/dbraw/zinc/07/20/60/257072060.db2.gz QFJIDWWKPFOGCW-VQSBLYBRSA-N 1 3 355.526 2.934 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@@H](c1ccccc1)N(C)C ZINC000288167115 257154799 /nfs/dbraw/zinc/15/47/99/257154799.db2.gz OYFLPHQVISUJQM-RNQOJCNYSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@@H](c1ccccc1)N(C)C ZINC000288167115 257154800 /nfs/dbraw/zinc/15/48/00/257154800.db2.gz OYFLPHQVISUJQM-RNQOJCNYSA-N 1 3 358.530 2.804 20 0 FFADHO COc1ccc(OC(F)F)c(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289951201 257308032 /nfs/dbraw/zinc/30/80/32/257308032.db2.gz XXJQVSCKIGNXKR-UHFFFAOYSA-N 1 3 371.472 2.754 20 0 FFADHO CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)ncn1 ZINC000329195161 258132100 /nfs/dbraw/zinc/13/21/00/258132100.db2.gz VBRFHFNHVUGPIM-LJQANCHMSA-N 1 3 372.561 2.874 20 0 FFADHO C[N@H+](CCNC(=O)N1CCN(CCC(C)(C)C)CC1)Cc1ccccc1 ZINC000065540630 506318014 /nfs/dbraw/zinc/31/80/14/506318014.db2.gz SDLMPAWZWDQQAN-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO C[N@@H+](CCNC(=O)N1CCN(CCC(C)(C)C)CC1)Cc1ccccc1 ZINC000065540630 506318017 /nfs/dbraw/zinc/31/80/17/506318017.db2.gz SDLMPAWZWDQQAN-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO COc1ccccc1CNC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866412 512225190 /nfs/dbraw/zinc/22/51/90/512225190.db2.gz QOYDXTIEYQBXRG-KRWDZBQOSA-N 1 3 359.514 2.508 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066175186 506434882 /nfs/dbraw/zinc/43/48/82/506434882.db2.gz CIUVFGZBFNLYBI-DLBZAZTESA-N 1 3 362.543 2.765 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000054509444 506567791 /nfs/dbraw/zinc/56/77/91/506567791.db2.gz NUJFTVNEDIMFBT-HXUWFJFHSA-N 1 3 372.557 2.944 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000054509444 506567797 /nfs/dbraw/zinc/56/77/97/506567797.db2.gz NUJFTVNEDIMFBT-HXUWFJFHSA-N 1 3 372.557 2.944 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043238573 506719768 /nfs/dbraw/zinc/71/97/68/506719768.db2.gz MHCZADIESKGNFL-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000067456382 506886378 /nfs/dbraw/zinc/88/63/78/506886378.db2.gz LRCIMHVGOKDGJK-FQEVSTJZSA-N 1 3 362.562 2.957 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000067456382 506886382 /nfs/dbraw/zinc/88/63/82/506886382.db2.gz LRCIMHVGOKDGJK-FQEVSTJZSA-N 1 3 362.562 2.957 20 0 FFADHO COc1c(C)cnc(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1C ZINC000371349704 512347906 /nfs/dbraw/zinc/34/79/06/512347906.db2.gz LPAPKDWTSMSZPT-UHFFFAOYSA-N 1 3 360.546 2.697 20 0 FFADHO CCCOc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797812 507713006 /nfs/dbraw/zinc/71/30/06/507713006.db2.gz OPFCUFBCFGETOQ-UHFFFAOYSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000071923252 507725633 /nfs/dbraw/zinc/72/56/33/507725633.db2.gz MQTBNQKULJYQSY-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000071923252 507725638 /nfs/dbraw/zinc/72/56/38/507725638.db2.gz MQTBNQKULJYQSY-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCCCCCC3)CC2)CC1 ZINC000051241946 507754214 /nfs/dbraw/zinc/75/42/14/507754214.db2.gz WPJFROQQDUHSFF-UHFFFAOYSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H](Cc1ccsc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777719 507784351 /nfs/dbraw/zinc/78/43/51/507784351.db2.gz ADENWSVCEMWCQS-HNNXBMFYSA-N 1 3 364.559 2.537 20 0 FFADHO CN(Cc1ccc(Br)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377632602 512366241 /nfs/dbraw/zinc/36/62/41/512366241.db2.gz TXRCUTRKSKPBGS-AWEZNQCLSA-N 1 3 356.308 2.642 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)CC1 ZINC000073620011 507938505 /nfs/dbraw/zinc/93/85/05/507938505.db2.gz BSOUACRDFGNTMR-LEWJYISDSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)CC1 ZINC000073620011 507938506 /nfs/dbraw/zinc/93/85/06/507938506.db2.gz BSOUACRDFGNTMR-LEWJYISDSA-N 1 3 370.541 2.838 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000079269268 507949417 /nfs/dbraw/zinc/94/94/17/507949417.db2.gz HYUCJJAQNNJJRA-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000079269268 507949419 /nfs/dbraw/zinc/94/94/19/507949419.db2.gz HYUCJJAQNNJJRA-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079285895 507950563 /nfs/dbraw/zinc/95/05/63/507950563.db2.gz FDNQCJHPEPZMGE-NRFANRHFSA-N 1 3 370.541 2.705 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000073793712 507956778 /nfs/dbraw/zinc/95/67/78/507956778.db2.gz WFBGGTRLYXIPEC-PMACEKPBSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000073793712 507956779 /nfs/dbraw/zinc/95/67/79/507956779.db2.gz WFBGGTRLYXIPEC-PMACEKPBSA-N 1 3 360.546 2.533 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073793955 507956880 /nfs/dbraw/zinc/95/68/80/507956880.db2.gz VOWHYIWQDLHGMM-VQTJNVASSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073793955 507956882 /nfs/dbraw/zinc/95/68/82/507956882.db2.gz VOWHYIWQDLHGMM-VQTJNVASSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000079392603 507957526 /nfs/dbraw/zinc/95/75/26/507957526.db2.gz QHLLHKCZMDYSDU-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000079392603 507957528 /nfs/dbraw/zinc/95/75/28/507957528.db2.gz QHLLHKCZMDYSDU-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000073897491 507964752 /nfs/dbraw/zinc/96/47/52/507964752.db2.gz ZRBZGBWEUQGQJM-QUCCMNQESA-N 1 3 360.546 2.971 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000073897491 507964755 /nfs/dbraw/zinc/96/47/55/507964755.db2.gz ZRBZGBWEUQGQJM-QUCCMNQESA-N 1 3 360.546 2.971 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000079572539 507977725 /nfs/dbraw/zinc/97/77/25/507977725.db2.gz DSSHKBMKVJRIGR-FQEVSTJZSA-N 1 3 360.546 2.533 20 0 FFADHO CC(C)[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[NH+]1CCCC1 ZINC000091744334 508007156 /nfs/dbraw/zinc/00/71/56/508007156.db2.gz HSZNYXNGKZJMSR-FQEVSTJZSA-N 1 3 373.545 2.718 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000080079075 508034737 /nfs/dbraw/zinc/03/47/37/508034737.db2.gz YFCMQXXAODAVCD-IHPCNDPISA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000080079075 508034738 /nfs/dbraw/zinc/03/47/38/508034738.db2.gz YFCMQXXAODAVCD-IHPCNDPISA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000111827427 508126931 /nfs/dbraw/zinc/12/69/31/508126931.db2.gz PVOTYWJVDRPMTN-UHFFFAOYSA-N 1 3 368.591 2.520 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CN(C)C3CC[NH+](C(C)C)CC3)c2cc1C ZINC000076478744 508211481 /nfs/dbraw/zinc/21/14/81/508211481.db2.gz UFGYGGDLEWJAED-LJQANCHMSA-N 1 3 358.530 2.819 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000097174545 508220620 /nfs/dbraw/zinc/22/06/20/508220620.db2.gz HUXZGSOBTVGAPB-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000097174545 508220623 /nfs/dbraw/zinc/22/06/23/508220623.db2.gz HUXZGSOBTVGAPB-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CCC(=O)Nc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000101518452 508242230 /nfs/dbraw/zinc/24/22/30/508242230.db2.gz ZSPRXYBROYWYOM-IBGZPJMESA-N 1 3 374.529 2.523 20 0 FFADHO CCC(=O)Nc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000101518452 508242231 /nfs/dbraw/zinc/24/22/31/508242231.db2.gz ZSPRXYBROYWYOM-IBGZPJMESA-N 1 3 374.529 2.523 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000103212026 508302167 /nfs/dbraw/zinc/30/21/67/508302167.db2.gz FAZHQJFMXYGLOO-CVEARBPZSA-N 1 3 371.447 2.761 20 0 FFADHO C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(C)(C)C[NH+](C)C ZINC000085365615 508304357 /nfs/dbraw/zinc/30/43/57/508304357.db2.gz HGASLSOHVUAPEG-MRXNPFEDSA-N 1 3 370.607 2.624 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000085405377 508306443 /nfs/dbraw/zinc/30/64/43/508306443.db2.gz ZZJMFRUOSGNIQP-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000085405377 508306445 /nfs/dbraw/zinc/30/64/45/508306445.db2.gz ZZJMFRUOSGNIQP-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)o1 ZINC000085422737 508307601 /nfs/dbraw/zinc/30/76/01/508307601.db2.gz SFILOABYJOVQMY-INIZCTEOSA-N 1 3 352.523 2.638 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)NC1CCN(CCc2ccccc2)CC1 ZINC000077713921 508356881 /nfs/dbraw/zinc/35/68/81/508356881.db2.gz SFJHQSYWILVGFI-UHFFFAOYSA-N 1 3 372.557 2.869 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000114957762 508362543 /nfs/dbraw/zinc/36/25/43/508362543.db2.gz DUHUKMMSMLEEHO-UHFFFAOYSA-N 1 3 360.546 2.800 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000077759119 508367375 /nfs/dbraw/zinc/36/73/75/508367375.db2.gz KGUSJALRZFHRFT-QGZVFWFLSA-N 1 3 354.926 2.926 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000105273187 508367716 /nfs/dbraw/zinc/36/77/16/508367716.db2.gz MMINGNGLKIAYNW-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000105273187 508367717 /nfs/dbraw/zinc/36/77/17/508367717.db2.gz MMINGNGLKIAYNW-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccccc1 ZINC000088478840 508371860 /nfs/dbraw/zinc/37/18/60/508371860.db2.gz MXZDPQMOPVUARM-LJQANCHMSA-N 1 3 358.486 2.656 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000088546787 508375608 /nfs/dbraw/zinc/37/56/08/508375608.db2.gz WYYGULZCAAICOH-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000133877387 508462668 /nfs/dbraw/zinc/46/26/68/508462668.db2.gz IAMBJFTUKROKKD-QGZVFWFLSA-N 1 3 373.545 2.638 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000133997932 508479331 /nfs/dbraw/zinc/47/93/31/508479331.db2.gz HRYXOCNSQSOKJY-QGZVFWFLSA-N 1 3 361.534 2.638 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000133997932 508479336 /nfs/dbraw/zinc/47/93/36/508479336.db2.gz HRYXOCNSQSOKJY-QGZVFWFLSA-N 1 3 361.534 2.638 20 0 FFADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000134152195 508500001 /nfs/dbraw/zinc/50/00/01/508500001.db2.gz PEWDPMAECALTKH-UHFFFAOYSA-N 1 3 366.575 2.924 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000134152195 508500003 /nfs/dbraw/zinc/50/00/03/508500003.db2.gz PEWDPMAECALTKH-UHFFFAOYSA-N 1 3 366.575 2.924 20 0 FFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000136691381 508709694 /nfs/dbraw/zinc/70/96/94/508709694.db2.gz QNVNYRSPRHASOX-UHFFFAOYSA-N 1 3 367.921 2.640 20 0 FFADHO C[C@@H](Cn1cc(Br)cn1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158659787 508735861 /nfs/dbraw/zinc/73/58/61/508735861.db2.gz LUMBIWCPCYXLSQ-ZNMIVQPWSA-N 1 3 357.340 2.992 20 0 FFADHO C[C@@H](Cn1cc(Br)cn1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158659787 508735863 /nfs/dbraw/zinc/73/58/63/508735863.db2.gz LUMBIWCPCYXLSQ-ZNMIVQPWSA-N 1 3 357.340 2.992 20 0 FFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000158659787 508735866 /nfs/dbraw/zinc/73/58/66/508735866.db2.gz LUMBIWCPCYXLSQ-ZNMIVQPWSA-N 1 3 357.340 2.992 20 0 FFADHO Cc1ccc(CNC(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1F ZINC000119158946 508738083 /nfs/dbraw/zinc/73/80/83/508738083.db2.gz VYXCGOQNLNVXHJ-IBGZPJMESA-N 1 3 361.505 2.947 20 0 FFADHO COc1ccc([C@H](C[NH2+]C2CCN(CC3CC3)CC2)N2CCOCC2)cc1 ZINC000154244892 508744967 /nfs/dbraw/zinc/74/49/67/508744967.db2.gz BXVZDTOUAJEELP-QFIPXVFZSA-N 1 3 373.541 2.533 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000123882042 508751998 /nfs/dbraw/zinc/75/19/98/508751998.db2.gz NUODYEGDAWAXCD-FQEVSTJZSA-N 1 3 360.546 2.915 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000123882042 508752002 /nfs/dbraw/zinc/75/20/02/508752002.db2.gz NUODYEGDAWAXCD-FQEVSTJZSA-N 1 3 360.546 2.915 20 0 FFADHO C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000129848143 508773678 /nfs/dbraw/zinc/77/36/78/508773678.db2.gz HCZNPGFHZXMTDI-UWJYYQICSA-N 1 3 355.526 2.855 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCN1C ZINC000139531267 508789920 /nfs/dbraw/zinc/78/99/20/508789920.db2.gz XWIGQWRLZXLLID-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCN1C ZINC000139531267 508789923 /nfs/dbraw/zinc/78/99/23/508789923.db2.gz XWIGQWRLZXLLID-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000139532648 508790297 /nfs/dbraw/zinc/79/02/97/508790297.db2.gz NUJBEVCTYWROIF-PXNSSMCTSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000139532648 508790298 /nfs/dbraw/zinc/79/02/98/508790298.db2.gz NUJBEVCTYWROIF-PXNSSMCTSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000119694604 508845129 /nfs/dbraw/zinc/84/51/29/508845129.db2.gz ZKQXRWLKPFKMCJ-QUCCMNQESA-N 1 3 360.546 2.875 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000119694604 508845134 /nfs/dbraw/zinc/84/51/34/508845134.db2.gz ZKQXRWLKPFKMCJ-QUCCMNQESA-N 1 3 360.546 2.875 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4cccc(F)c4)CC3)CC2)CC1 ZINC000119871236 508880892 /nfs/dbraw/zinc/88/08/92/508880892.db2.gz DENHVUOHYORCJS-UHFFFAOYSA-N 1 3 374.504 2.673 20 0 FFADHO Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000155195519 508945521 /nfs/dbraw/zinc/94/55/21/508945521.db2.gz ZULQZVIIBIQQKO-ROUUACIJSA-N 1 3 355.526 2.916 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000125285298 508960030 /nfs/dbraw/zinc/96/00/30/508960030.db2.gz AALYHCLHKJDGLS-FQEVSTJZSA-N 1 3 360.546 2.786 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000125285298 508960033 /nfs/dbraw/zinc/96/00/33/508960033.db2.gz AALYHCLHKJDGLS-FQEVSTJZSA-N 1 3 360.546 2.786 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3cnn(C)c3)CC2)c1 ZINC000125330209 508967057 /nfs/dbraw/zinc/96/70/57/508967057.db2.gz AMESRLXIIPZYCS-LJQANCHMSA-N 1 3 355.530 2.982 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000125707565 509019680 /nfs/dbraw/zinc/01/96/80/509019680.db2.gz NWHDAAFUODQBHE-GOEBONIOSA-N 1 3 359.436 2.914 20 0 FFADHO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132702304 509063978 /nfs/dbraw/zinc/06/39/78/509063978.db2.gz QUFXGGRHDNYWTK-QFIPXVFZSA-N 1 3 368.521 2.991 20 0 FFADHO O[C@@H](COc1cccc2[nH]ccc21)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000126806169 509130705 /nfs/dbraw/zinc/13/07/05/509130705.db2.gz LUUPQYPDVJDEOF-GOSISDBHSA-N 1 3 357.498 2.715 20 0 FFADHO Cc1ccc(-c2ncco2)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133240887 509136501 /nfs/dbraw/zinc/13/65/01/509136501.db2.gz NFFZUVVNBVOITI-UHFFFAOYSA-N 1 3 359.474 2.607 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000175871875 509189704 /nfs/dbraw/zinc/18/97/04/509189704.db2.gz SCAKDVPGZSQDRH-SJORKVTESA-N 1 3 368.591 2.520 20 0 FFADHO Cc1ccc(-c2noc([C@@H](C)N3CCN(CC4CC[NH2+]CC4)CC3)n2)cc1 ZINC000178978953 509211152 /nfs/dbraw/zinc/21/11/52/509211152.db2.gz VHWZDZPRKRLABL-QGZVFWFLSA-N 1 3 369.513 2.723 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401040 509219266 /nfs/dbraw/zinc/21/92/66/509219266.db2.gz KLNYJMXTQGUIIX-QZTJIDSGSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401040 509219273 /nfs/dbraw/zinc/21/92/73/509219273.db2.gz KLNYJMXTQGUIIX-QZTJIDSGSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248388729 509286295 /nfs/dbraw/zinc/28/62/95/509286295.db2.gz ACQBXASILCJDJS-GNBUJSLZSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248388729 509286300 /nfs/dbraw/zinc/28/63/00/509286300.db2.gz ACQBXASILCJDJS-GNBUJSLZSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)CN1CCOCC1 ZINC000248407655 509303193 /nfs/dbraw/zinc/30/31/93/509303193.db2.gz UQBATDIXUNUMSL-JMJGKCIBSA-N 1 3 371.569 2.845 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179196493 509315341 /nfs/dbraw/zinc/31/53/41/509315341.db2.gz MVVINBICJVEUNO-MISYRCLQSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179196493 509315345 /nfs/dbraw/zinc/31/53/45/509315345.db2.gz MVVINBICJVEUNO-MISYRCLQSA-N 1 3 358.530 2.709 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000176223522 509387937 /nfs/dbraw/zinc/38/79/37/509387937.db2.gz NOQLNHMQALVMLD-ZCNNSNEGSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1nccn1CCCCN1CCC[N@H+](CCCCn2ccnc2C)CC1 ZINC000163561690 509393566 /nfs/dbraw/zinc/39/35/66/509393566.db2.gz DIVHGGHQFHCPGL-UHFFFAOYSA-N 1 3 372.561 2.965 20 0 FFADHO Cc1nccn1CCCCN1CCC[N@@H+](CCCCn2ccnc2C)CC1 ZINC000163561690 509393570 /nfs/dbraw/zinc/39/35/70/509393570.db2.gz DIVHGGHQFHCPGL-UHFFFAOYSA-N 1 3 372.561 2.965 20 0 FFADHO CC(C)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000236690040 509481663 /nfs/dbraw/zinc/48/16/63/509481663.db2.gz PCTJGKSGPNYSEB-OAQYLSRUSA-N 1 3 351.494 2.958 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000248832711 509502690 /nfs/dbraw/zinc/50/26/90/509502690.db2.gz MSGKHPILYDTIHE-GTAWCEEGSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CCN1C ZINC000179555548 509509013 /nfs/dbraw/zinc/50/90/13/509509013.db2.gz PEFQPBSUBISAGI-OAOYMFHYSA-N 1 3 351.922 2.784 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182951255 509513383 /nfs/dbraw/zinc/51/33/83/509513383.db2.gz OZIRIVNADPSQDY-IMBTUZDBSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182951255 509513392 /nfs/dbraw/zinc/51/33/92/509513392.db2.gz OZIRIVNADPSQDY-IMBTUZDBSA-N 1 3 350.551 2.764 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCCC[NH+]2CCCCC2)c1 ZINC000164629808 509521466 /nfs/dbraw/zinc/52/14/66/509521466.db2.gz BMKJOLRMJCSZBV-KRWDZBQOSA-N 1 3 367.559 2.902 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000248892350 509531925 /nfs/dbraw/zinc/53/19/25/509531925.db2.gz SUDKAGFTDNIQDM-VWEINGBSSA-N 1 3 372.557 2.927 20 0 FFADHO CN(C)CCn1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000237006588 509549775 /nfs/dbraw/zinc/54/97/75/509549775.db2.gz KQXAVLYUGWAVMK-UHFFFAOYSA-N 1 3 357.502 2.531 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccc(C[NH3+])cc3)c(C)c2)CC1 ZINC000237010560 509551337 /nfs/dbraw/zinc/55/13/37/509551337.db2.gz LBTACCPGYJPARH-UHFFFAOYSA-N 1 3 352.482 2.848 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000173412432 509583089 /nfs/dbraw/zinc/58/30/89/509583089.db2.gz GEDJROYGCDAXBR-AHRSYUTCSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000173412432 509583096 /nfs/dbraw/zinc/58/30/96/509583096.db2.gz GEDJROYGCDAXBR-AHRSYUTCSA-N 1 3 360.546 2.976 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000166013315 509591833 /nfs/dbraw/zinc/59/18/33/509591833.db2.gz TVBLUJXLBXLCGB-GDBMZVCRSA-N 1 3 365.909 2.928 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C3([NH3+])CCCCC3)CC2)cc1 ZINC000237286397 509612751 /nfs/dbraw/zinc/61/27/51/509612751.db2.gz YEBUVEUYFIXELR-UHFFFAOYSA-N 1 3 359.514 2.685 20 0 FFADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183131665 509616688 /nfs/dbraw/zinc/61/66/88/509616688.db2.gz BSOFYXCWEPPLJO-BVOGOJNSSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131665 509616692 /nfs/dbraw/zinc/61/66/92/509616692.db2.gz BSOFYXCWEPPLJO-BVOGOJNSSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131665 509616695 /nfs/dbraw/zinc/61/66/95/509616695.db2.gz BSOFYXCWEPPLJO-BVOGOJNSSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000249133350 509616766 /nfs/dbraw/zinc/61/67/66/509616766.db2.gz SXXMKFIMHIIBJL-DZFGPLHGSA-N 1 3 366.509 2.888 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)C2(N)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000167540042 509635334 /nfs/dbraw/zinc/63/53/34/509635334.db2.gz BEXXUXDMFOJSCE-UTKZUKDTSA-N 1 3 363.505 2.652 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)C2(N)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000167540042 509635340 /nfs/dbraw/zinc/63/53/40/509635340.db2.gz BEXXUXDMFOJSCE-UTKZUKDTSA-N 1 3 363.505 2.652 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000249212968 509636931 /nfs/dbraw/zinc/63/69/31/509636931.db2.gz AUSVVETXGJHDAI-PZJWPPBQSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000249212968 509636939 /nfs/dbraw/zinc/63/69/39/509636939.db2.gz AUSVVETXGJHDAI-PZJWPPBQSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)CNC[C@H]2CCCO2)CCCC1)c1ccccc1 ZINC000237401324 509639258 /nfs/dbraw/zinc/63/92/58/509639258.db2.gz PLVLXABVMIQEGJ-IEBWSBKVSA-N 1 3 359.514 2.535 20 0 FFADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186335430 509653199 /nfs/dbraw/zinc/65/31/99/509653199.db2.gz WIULYKUOZJFDCD-UHFFFAOYSA-N 1 3 361.530 2.617 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000189662479 509688575 /nfs/dbraw/zinc/68/85/75/509688575.db2.gz PBVXESSUIBOSOZ-LJQANCHMSA-N 1 3 358.530 2.949 20 0 FFADHO CN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000264765885 509692425 /nfs/dbraw/zinc/69/24/25/509692425.db2.gz MMUMPMHTRUIYOT-IHWFROFDSA-N 1 3 356.514 2.529 20 0 FFADHO CN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000264765885 509692429 /nfs/dbraw/zinc/69/24/29/509692429.db2.gz MMUMPMHTRUIYOT-IHWFROFDSA-N 1 3 356.514 2.529 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000192931825 509703951 /nfs/dbraw/zinc/70/39/51/509703951.db2.gz QNEOIEIYCLVSTL-UHFFFAOYSA-N 1 3 358.461 2.595 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237732227 509721135 /nfs/dbraw/zinc/72/11/35/509721135.db2.gz RORWADCUUFPSKN-YYWHXJBOSA-N 1 3 355.526 2.996 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237878675 509760618 /nfs/dbraw/zinc/76/06/18/509760618.db2.gz IRQBIKZEROUKCW-LEWJYISDSA-N 1 3 351.494 2.991 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000183431346 509786102 /nfs/dbraw/zinc/78/61/02/509786102.db2.gz ARVDGKKTCHDAAD-HNNXBMFYSA-N 1 3 373.497 2.654 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC[C@@H]2COC4(CCOCC4)O2)C3)cc1 ZINC000180173008 509793541 /nfs/dbraw/zinc/79/35/41/509793541.db2.gz QQDBLNBPEFXKOR-OTYNDTSQSA-N 1 3 372.509 2.694 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC[C@@H]2COC4(CCOCC4)O2)C3)cc1 ZINC000180173008 509793543 /nfs/dbraw/zinc/79/35/43/509793543.db2.gz QQDBLNBPEFXKOR-OTYNDTSQSA-N 1 3 372.509 2.694 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000180276108 509845487 /nfs/dbraw/zinc/84/54/87/509845487.db2.gz KQXVONGYXDPEJU-KRWDZBQOSA-N 1 3 360.502 2.897 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000183545060 509853256 /nfs/dbraw/zinc/85/32/56/509853256.db2.gz PJOGMNJFPUJNOS-WBAXXEDZSA-N 1 3 361.486 2.653 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000183545060 509853265 /nfs/dbraw/zinc/85/32/65/509853265.db2.gz PJOGMNJFPUJNOS-WBAXXEDZSA-N 1 3 361.486 2.653 20 0 FFADHO COC(=O)c1ccccc1CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000186928166 509957388 /nfs/dbraw/zinc/95/73/88/509957388.db2.gz RDAGOGFECPVPEX-ROUUACIJSA-N 1 3 374.525 2.837 20 0 FFADHO C[C@H](NC(=O)[C@@H](CN)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261577562 509993119 /nfs/dbraw/zinc/99/31/19/509993119.db2.gz CVQLDGYHMTWSKV-YYWHXJBOSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@H](NC(=O)[C@@H](CN)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261577562 509993128 /nfs/dbraw/zinc/99/31/28/509993128.db2.gz CVQLDGYHMTWSKV-YYWHXJBOSA-N 1 3 351.494 2.756 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000268547233 510002582 /nfs/dbraw/zinc/00/25/82/510002582.db2.gz VIWRJFOSWCMCAY-HXUWFJFHSA-N 1 3 358.530 2.775 20 0 FFADHO Fc1cc(CN2CCN(CC3CC[NH2+]CC3)CC2)ccc1Br ZINC000261652357 510014163 /nfs/dbraw/zinc/01/41/63/510014163.db2.gz BDXJMWXVBSPDAQ-UHFFFAOYSA-N 1 3 370.310 2.705 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CCN1C ZINC000245602059 510032964 /nfs/dbraw/zinc/03/29/64/510032964.db2.gz PEFQPBSUBISAGI-UTRMSSBJSA-N 1 3 351.922 2.784 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000193774957 510062896 /nfs/dbraw/zinc/06/28/96/510062896.db2.gz OWQKFJLBRBTPEY-HXUWFJFHSA-N 1 3 372.557 2.725 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000193774957 510062903 /nfs/dbraw/zinc/06/29/03/510062903.db2.gz OWQKFJLBRBTPEY-HXUWFJFHSA-N 1 3 372.557 2.725 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261800293 510067953 /nfs/dbraw/zinc/06/79/53/510067953.db2.gz VUFKDGRLDBSEGJ-DJIMGWMZSA-N 1 3 369.431 2.957 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261819427 510077883 /nfs/dbraw/zinc/07/78/83/510077883.db2.gz OBHRJDSUABMMGK-SFHVURJKSA-N 1 3 359.489 2.640 20 0 FFADHO COc1ccccc1-c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261830106 510080960 /nfs/dbraw/zinc/08/09/60/510080960.db2.gz AHHILVWNQVTHII-HXUWFJFHSA-N 1 3 351.494 2.842 20 0 FFADHO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000245710376 510100955 /nfs/dbraw/zinc/10/09/55/510100955.db2.gz NDHSRVHEPSUIQO-UMBQZNGKSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000245710376 510100962 /nfs/dbraw/zinc/10/09/62/510100962.db2.gz NDHSRVHEPSUIQO-UMBQZNGKSA-N 1 3 357.542 2.881 20 0 FFADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268889391 510121888 /nfs/dbraw/zinc/12/18/88/510121888.db2.gz YKWCLUPACCHQEI-GOSISDBHSA-N 1 3 361.530 2.675 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000177587766 510147385 /nfs/dbraw/zinc/14/73/85/510147385.db2.gz CBZCZINKVBPZAP-TZIWHRDSSA-N 1 3 372.557 2.578 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000187257847 510153123 /nfs/dbraw/zinc/15/31/23/510153123.db2.gz JAJOWUCSGOCYQF-FQEVSTJZSA-N 1 3 360.546 2.784 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193977686 510157183 /nfs/dbraw/zinc/15/71/83/510157183.db2.gz BBASHRMRNKQWBK-YPAWHYETSA-N 1 3 369.553 2.871 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000193984567 510163064 /nfs/dbraw/zinc/16/30/64/510163064.db2.gz QZXULFMPSRCFSP-YPAWHYETSA-N 1 3 369.553 2.871 20 0 FFADHO COc1cccc([C@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000177629893 510168013 /nfs/dbraw/zinc/16/80/13/510168013.db2.gz AJCXHGOZLKJAAS-QGZVFWFLSA-N 1 3 373.541 2.864 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000245872027 510179026 /nfs/dbraw/zinc/17/90/26/510179026.db2.gz GZMDXORGRKEMLP-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000245872027 510179035 /nfs/dbraw/zinc/17/90/35/510179035.db2.gz GZMDXORGRKEMLP-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO COc1ccc(-c2ccccc2)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262150196 510192489 /nfs/dbraw/zinc/19/24/89/510192489.db2.gz RDLKFVAWOQNMJO-NRFANRHFSA-N 1 3 351.494 2.842 20 0 FFADHO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180940346 510194793 /nfs/dbraw/zinc/19/47/93/510194793.db2.gz OTMNOIVGJIDDRE-MOPGFXCFSA-N 1 3 374.573 2.519 20 0 FFADHO CN1CCC(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)(N2CCCCC2)CC1 ZINC000194060141 510198195 /nfs/dbraw/zinc/19/81/95/510198195.db2.gz FRTYNGNYGKODKX-HSALFYBXSA-N 1 3 361.574 2.874 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000269067323 510219838 /nfs/dbraw/zinc/21/98/38/510219838.db2.gz LVXWZFBZEHUCQY-GOEBONIOSA-N 1 3 354.491 2.720 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000171633197 510263703 /nfs/dbraw/zinc/26/37/03/510263703.db2.gz HZZQLXZOIWNOSP-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000177839748 510282345 /nfs/dbraw/zinc/28/23/45/510282345.db2.gz IWVUZKWIJQOGNA-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000177839748 510282350 /nfs/dbraw/zinc/28/23/50/510282350.db2.gz IWVUZKWIJQOGNA-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000174780222 510306185 /nfs/dbraw/zinc/30/61/85/510306185.db2.gz QTVQCVBAQOOEAG-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000174780222 510306189 /nfs/dbraw/zinc/30/61/89/510306189.db2.gz QTVQCVBAQOOEAG-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000262664773 510358279 /nfs/dbraw/zinc/35/82/79/510358279.db2.gz IUDBHYNZQVEULS-LQCXBHPOSA-N 1 3 363.505 2.868 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000262664773 510358285 /nfs/dbraw/zinc/35/82/85/510358285.db2.gz IUDBHYNZQVEULS-LQCXBHPOSA-N 1 3 363.505 2.868 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178041314 510395554 /nfs/dbraw/zinc/39/55/54/510395554.db2.gz CUWZCLPHXKHFKL-KSZLIROESA-N 1 3 357.502 2.807 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000246338479 510435450 /nfs/dbraw/zinc/43/54/50/510435450.db2.gz OSOQMBIDXYABIV-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000246338479 510435459 /nfs/dbraw/zinc/43/54/59/510435459.db2.gz OSOQMBIDXYABIV-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000184697914 510470170 /nfs/dbraw/zinc/47/01/70/510470170.db2.gz IRNXELVWTVHFTC-ICSRJNTNSA-N 1 3 358.530 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000184697914 510470179 /nfs/dbraw/zinc/47/01/79/510470179.db2.gz IRNXELVWTVHFTC-ICSRJNTNSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000246425500 510484747 /nfs/dbraw/zinc/48/47/47/510484747.db2.gz WABCCPVPIPOLTD-QFBILLFUSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000184728404 510487834 /nfs/dbraw/zinc/48/78/34/510487834.db2.gz UAORZEURKHIKID-BSIFCXSSSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000184728404 510487843 /nfs/dbraw/zinc/48/78/43/510487843.db2.gz UAORZEURKHIKID-BSIFCXSSSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccco1 ZINC000184743890 510494868 /nfs/dbraw/zinc/49/48/68/510494868.db2.gz GZNFKWZPCWSBNI-IRXDYDNUSA-N 1 3 355.482 2.642 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246472513 510508211 /nfs/dbraw/zinc/50/82/11/510508211.db2.gz GBPYSIRRGBHDQC-CZTZKLFOSA-N 1 3 358.526 2.992 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246472513 510508214 /nfs/dbraw/zinc/50/82/14/510508214.db2.gz GBPYSIRRGBHDQC-CZTZKLFOSA-N 1 3 358.526 2.992 20 0 FFADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c2cccs2)CCO1 ZINC000246488499 510517611 /nfs/dbraw/zinc/51/76/11/510517611.db2.gz RTANUSRINFLEMG-QXDIGNSFSA-N 1 3 351.560 2.828 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000246512414 510530813 /nfs/dbraw/zinc/53/08/13/510530813.db2.gz JYDYHJJTHYIEGF-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CN1CCC[C@H](C)C1)CC2 ZINC000246561119 510556942 /nfs/dbraw/zinc/55/69/42/510556942.db2.gz YZQQMUTYJQKWCF-OKYOBFRVSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CN1CCC[C@H](C)C1)CC2 ZINC000246561119 510556948 /nfs/dbraw/zinc/55/69/48/510556948.db2.gz YZQQMUTYJQKWCF-OKYOBFRVSA-N 1 3 350.551 2.764 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000172128684 510557184 /nfs/dbraw/zinc/55/71/84/510557184.db2.gz NOAKZSOAXRUDSW-SFHVURJKSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000263106890 510564192 /nfs/dbraw/zinc/56/41/92/510564192.db2.gz ZYAHBXFTAXKEFG-SJLPKXTDSA-N 1 3 353.576 2.762 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000178404224 510586372 /nfs/dbraw/zinc/58/63/72/510586372.db2.gz IFXGPSNOXOIQEC-VQTJNVASSA-N 1 3 374.529 2.638 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000246624732 510589018 /nfs/dbraw/zinc/58/90/18/510589018.db2.gz YFCMQXXAODAVCD-MISYRCLQSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000246624732 510589023 /nfs/dbraw/zinc/58/90/23/510589023.db2.gz YFCMQXXAODAVCD-MISYRCLQSA-N 1 3 370.541 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1OC ZINC000175490885 510663466 /nfs/dbraw/zinc/66/34/66/510663466.db2.gz ZGZQTORDOXSKJS-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1OC ZINC000175490885 510663471 /nfs/dbraw/zinc/66/34/71/510663471.db2.gz ZGZQTORDOXSKJS-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000191477697 510680597 /nfs/dbraw/zinc/68/05/97/510680597.db2.gz CLJVOETXDGJRHM-LJQANCHMSA-N 1 3 359.514 2.968 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000191477697 510680604 /nfs/dbraw/zinc/68/06/04/510680604.db2.gz CLJVOETXDGJRHM-LJQANCHMSA-N 1 3 359.514 2.968 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000266637183 510702399 /nfs/dbraw/zinc/70/23/99/510702399.db2.gz BBQFBAXVKLKRTG-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175645475 510710739 /nfs/dbraw/zinc/71/07/39/510710739.db2.gz HGFVJWMBHOHHAF-QUCCMNQESA-N 1 3 356.514 2.553 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175645475 510710749 /nfs/dbraw/zinc/71/07/49/510710749.db2.gz HGFVJWMBHOHHAF-QUCCMNQESA-N 1 3 356.514 2.553 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246881575 510724281 /nfs/dbraw/zinc/72/42/81/510724281.db2.gz IAMPCMJNGZVUSD-PKOBYXMFSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246881575 510724286 /nfs/dbraw/zinc/72/42/86/510724286.db2.gz IAMPCMJNGZVUSD-PKOBYXMFSA-N 1 3 365.562 2.647 20 0 FFADHO N[C@H](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000178817106 510789126 /nfs/dbraw/zinc/78/91/26/510789126.db2.gz QPECNRMWHFEWSU-OAQYLSRUSA-N 1 3 351.494 2.900 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000247031864 510809996 /nfs/dbraw/zinc/80/99/96/510809996.db2.gz DVFTWHPSVPIVTO-JKSUJKDBSA-N 1 3 350.532 2.526 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000247031864 510810003 /nfs/dbraw/zinc/81/00/03/510810003.db2.gz DVFTWHPSVPIVTO-JKSUJKDBSA-N 1 3 350.532 2.526 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000263727948 510812844 /nfs/dbraw/zinc/81/28/44/510812844.db2.gz MRWLDNWNWAHKKF-HOTGVXAUSA-N 1 3 352.548 2.600 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000247059766 510820289 /nfs/dbraw/zinc/82/02/89/510820289.db2.gz NSNQGNJONNVRFW-DLBZAZTESA-N 1 3 367.559 2.900 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000247059766 510820293 /nfs/dbraw/zinc/82/02/93/510820293.db2.gz NSNQGNJONNVRFW-DLBZAZTESA-N 1 3 367.559 2.900 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000247530703 510864673 /nfs/dbraw/zinc/86/46/73/510864673.db2.gz XFESIUVPJMWWMI-IMFGXOCKSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000247530703 510864674 /nfs/dbraw/zinc/86/46/74/510864674.db2.gz XFESIUVPJMWWMI-IMFGXOCKSA-N 1 3 361.505 2.979 20 0 FFADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282169344 510873052 /nfs/dbraw/zinc/87/30/52/510873052.db2.gz DYRUXDLURPHOCH-KRWDZBQOSA-N 1 3 360.546 2.582 20 0 FFADHO COc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000364463619 510880660 /nfs/dbraw/zinc/88/06/60/510880660.db2.gz UFLSOFXRRHBXLQ-FXAWDEMLSA-N 1 3 359.514 2.728 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282201348 510883538 /nfs/dbraw/zinc/88/35/38/510883538.db2.gz CRWKYHYRQHNFPH-UHFFFAOYSA-N 1 3 355.530 2.605 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000270550980 510903940 /nfs/dbraw/zinc/90/39/40/510903940.db2.gz ZUFBZWHNMVXTLV-PWRODBHTSA-N 1 3 356.510 2.691 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000360669185 510933661 /nfs/dbraw/zinc/93/36/61/510933661.db2.gz BKJGWNRRNDFUCC-NJYVYQBISA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000360669185 510933665 /nfs/dbraw/zinc/93/36/65/510933665.db2.gz BKJGWNRRNDFUCC-NJYVYQBISA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360669921 510935264 /nfs/dbraw/zinc/93/52/64/510935264.db2.gz FSISMDSTTCYGLD-SESVDKBCSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360669921 510935266 /nfs/dbraw/zinc/93/52/66/510935266.db2.gz FSISMDSTTCYGLD-SESVDKBCSA-N 1 3 372.557 2.880 20 0 FFADHO CCOc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc(Cl)c1OC ZINC000282387949 510955997 /nfs/dbraw/zinc/95/59/97/510955997.db2.gz OSVFPVLMUSVXHP-UHFFFAOYSA-N 1 3 369.937 2.863 20 0 FFADHO C[C@@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000364673321 511012288 /nfs/dbraw/zinc/01/22/88/511012288.db2.gz PAVTUCXCYVYJBY-VYMYIBDJSA-N 1 3 358.530 2.794 20 0 FFADHO C[C@@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000364673321 511012291 /nfs/dbraw/zinc/01/22/91/511012291.db2.gz PAVTUCXCYVYJBY-VYMYIBDJSA-N 1 3 358.530 2.794 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCCO[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000364725239 511044863 /nfs/dbraw/zinc/04/48/63/511044863.db2.gz ZGGALQJXFCHBKB-NSHGMRRFSA-N 1 3 354.535 2.741 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279353772 511055258 /nfs/dbraw/zinc/05/52/58/511055258.db2.gz JRFAYSKXMQDZJU-YSIASYRMSA-N 1 3 373.541 2.935 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279353772 511055259 /nfs/dbraw/zinc/05/52/59/511055259.db2.gz JRFAYSKXMQDZJU-YSIASYRMSA-N 1 3 373.541 2.935 20 0 FFADHO C[C@H](CN1CCOCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364926550 511158172 /nfs/dbraw/zinc/15/81/72/511158172.db2.gz MZZFFMLMVUTBTG-HXUWFJFHSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H](CN1CCOCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364926550 511158178 /nfs/dbraw/zinc/15/81/78/511158178.db2.gz MZZFFMLMVUTBTG-HXUWFJFHSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000298117448 511180973 /nfs/dbraw/zinc/18/09/73/511180973.db2.gz XVHXEHJORGNEHE-JXFKEZNVSA-N 1 3 358.530 2.994 20 0 FFADHO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298144491 511188865 /nfs/dbraw/zinc/18/88/65/511188865.db2.gz QZXZGDXCQMYRPD-ICSRJNTNSA-N 1 3 355.486 2.948 20 0 FFADHO C[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271553160 511243707 /nfs/dbraw/zinc/24/37/07/511243707.db2.gz VDECVDPYIWEJCX-WEYGHZABSA-N 1 3 372.509 2.762 20 0 FFADHO CCOc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc(Cl)c1[O-] ZINC000298402746 511272403 /nfs/dbraw/zinc/27/24/03/511272403.db2.gz LWHCLRVCGREWMH-HNNXBMFYSA-N 1 3 356.894 2.771 20 0 FFADHO CCOc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc(Cl)c1[O-] ZINC000298402746 511272408 /nfs/dbraw/zinc/27/24/08/511272408.db2.gz LWHCLRVCGREWMH-HNNXBMFYSA-N 1 3 356.894 2.771 20 0 FFADHO O=C1CCCN1Cc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298552509 511325417 /nfs/dbraw/zinc/32/54/17/511325417.db2.gz UXCVNGYRGRCZBJ-UHFFFAOYSA-N 1 3 364.493 2.963 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)N2CCCC2)cc1 ZINC000333725431 511336509 /nfs/dbraw/zinc/33/65/09/511336509.db2.gz HBLDPZNEXDEROV-WOZUAGRISA-N 1 3 370.541 2.901 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000298598097 511342905 /nfs/dbraw/zinc/34/29/05/511342905.db2.gz YVNHFIUVKSWTNP-FQEVSTJZSA-N 1 3 374.529 2.616 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1cccc(Cl)c1Cl ZINC000298599665 511343536 /nfs/dbraw/zinc/34/35/36/511343536.db2.gz ZBCSCCVOYLBHAM-CQSZACIVSA-N 1 3 359.297 2.950 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000365257899 511347652 /nfs/dbraw/zinc/34/76/52/511347652.db2.gz AZVPRLKLEGLTJA-WOJBJXKFSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000365257899 511347655 /nfs/dbraw/zinc/34/76/55/511347655.db2.gz AZVPRLKLEGLTJA-WOJBJXKFSA-N 1 3 358.530 2.695 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2)CC1 ZINC000365434632 511449715 /nfs/dbraw/zinc/44/97/15/511449715.db2.gz ZLMWHSRIJQFIBM-UHFFFAOYSA-N 1 3 370.541 2.575 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000272166324 511452396 /nfs/dbraw/zinc/45/23/96/511452396.db2.gz BGVSXTBGNAXYPL-QILLFSRXSA-N 1 3 369.431 2.637 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000363428410 511545981 /nfs/dbraw/zinc/54/59/81/511545981.db2.gz XNXASGVGDSXZQC-HXUWFJFHSA-N 1 3 360.546 2.687 20 0 FFADHO COC(=O)c1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c[nH]1 ZINC000283965748 511558640 /nfs/dbraw/zinc/55/86/40/511558640.db2.gz KUMLIYZSXACSIL-UHFFFAOYSA-N 1 3 357.454 2.564 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000299399985 511623059 /nfs/dbraw/zinc/62/30/59/511623059.db2.gz SEGVIXBFHWKXPO-SJLPKXTDSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000299399985 511623064 /nfs/dbraw/zinc/62/30/64/511623064.db2.gz SEGVIXBFHWKXPO-SJLPKXTDSA-N 1 3 365.493 2.881 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1)C(C)C ZINC000363591902 511646653 /nfs/dbraw/zinc/64/66/53/511646653.db2.gz IDTNVOGOVOJGAB-WOJBJXKFSA-N 1 3 359.514 2.510 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1)C(C)C ZINC000363591902 511646657 /nfs/dbraw/zinc/64/66/57/511646657.db2.gz IDTNVOGOVOJGAB-WOJBJXKFSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@H](NC(=O)[C@H]1CNCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312732984 511786299 /nfs/dbraw/zinc/78/62/99/511786299.db2.gz SUYOQVSTAAQRFN-XJABCFGWSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@H](NC(=O)[C@H]1CNCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312732984 511786305 /nfs/dbraw/zinc/78/63/05/511786305.db2.gz SUYOQVSTAAQRFN-XJABCFGWSA-N 1 3 363.505 2.900 20 0 FFADHO CN(c1ccccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1)C1CCN(C)CC1 ZINC000363903585 511841135 /nfs/dbraw/zinc/84/11/35/511841135.db2.gz JVEBZAXMTXCGND-GOSISDBHSA-N 1 3 353.514 2.587 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296726484 511872498 /nfs/dbraw/zinc/87/24/98/511872498.db2.gz SMIIHMWTLWUIAO-UWJYYQICSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@]1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000274559033 511873651 /nfs/dbraw/zinc/87/36/51/511873651.db2.gz FRZLJVFGDIHLLM-JOCHJYFZSA-N 1 3 373.541 2.706 20 0 FFADHO OC[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H](CO)CC3)c2)CC1 ZINC000293224197 511886455 /nfs/dbraw/zinc/88/64/55/511886455.db2.gz RVGMFVLCPJIZDD-WOJBJXKFSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H](CO)CC3)c2)CC1 ZINC000293224197 511886461 /nfs/dbraw/zinc/88/64/61/511886461.db2.gz RVGMFVLCPJIZDD-WOJBJXKFSA-N 1 3 360.542 2.875 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296926807 511953448 /nfs/dbraw/zinc/95/34/48/511953448.db2.gz GBYOUEMLFPHYFY-XSLAUPDRSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296926807 511953456 /nfs/dbraw/zinc/95/34/56/511953456.db2.gz GBYOUEMLFPHYFY-XSLAUPDRSA-N 1 3 370.541 2.918 20 0 FFADHO CN1CCC([N@@H+]2CC[C@@H](NCc3c(F)cccc3Br)C2)CC1 ZINC000366342978 511967147 /nfs/dbraw/zinc/96/71/47/511967147.db2.gz RGVGPFHIXNIKNM-CYBMUJFWSA-N 1 3 370.310 2.846 20 0 FFADHO CN1CCC([N@H+]2CC[C@@H](NCc3c(F)cccc3Br)C2)CC1 ZINC000366342978 511967154 /nfs/dbraw/zinc/96/71/54/511967154.db2.gz RGVGPFHIXNIKNM-CYBMUJFWSA-N 1 3 370.310 2.846 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000364389616 512105895 /nfs/dbraw/zinc/10/58/95/512105895.db2.gz XMNQXQYUNWHMNY-QHAWAJNXSA-N 1 3 373.541 2.663 20 0 FFADHO CCN1CCN([C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)CC1 ZINC000411260625 512549612 /nfs/dbraw/zinc/54/96/12/512549612.db2.gz ZNWCFNYHINMEFF-QHCPKHFHSA-N 1 3 370.585 2.884 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000369688889 512555355 /nfs/dbraw/zinc/55/53/55/512555355.db2.gz TYJFOOWCDKMGBZ-FQEVSTJZSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000369720264 512571590 /nfs/dbraw/zinc/57/15/90/512571590.db2.gz GKQMRGHREKMUHG-UHFFFAOYSA-N 1 3 374.451 2.977 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000367625783 512590415 /nfs/dbraw/zinc/59/04/15/512590415.db2.gz YYANAACYUMQCRH-LLLHUVSDSA-N 1 3 366.889 2.607 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000367625783 512590421 /nfs/dbraw/zinc/59/04/21/512590421.db2.gz YYANAACYUMQCRH-LLLHUVSDSA-N 1 3 366.889 2.607 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000367625783 512590426 /nfs/dbraw/zinc/59/04/26/512590426.db2.gz YYANAACYUMQCRH-LLLHUVSDSA-N 1 3 366.889 2.607 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)N(C)C)cc1OC ZINC000367625979 512590585 /nfs/dbraw/zinc/59/05/85/512590585.db2.gz MCWNEFDOVVEVAQ-RDGPPVDQSA-N 1 3 361.530 2.769 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)N(C)C)cc1OC ZINC000367625979 512590591 /nfs/dbraw/zinc/59/05/91/512590591.db2.gz MCWNEFDOVVEVAQ-RDGPPVDQSA-N 1 3 361.530 2.769 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)N(C)C)cc1OC ZINC000367625979 512590595 /nfs/dbraw/zinc/59/05/95/512590595.db2.gz MCWNEFDOVVEVAQ-RDGPPVDQSA-N 1 3 361.530 2.769 20 0 FFADHO CCOC(=O)CC(C)(C)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000367735535 512638304 /nfs/dbraw/zinc/63/83/04/512638304.db2.gz ALXRSTSWRSCMRG-UHFFFAOYSA-N 1 3 367.578 2.846 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000371983340 512666260 /nfs/dbraw/zinc/66/62/60/512666260.db2.gz GOPCRLWXUYRQPO-TUNNFDKTSA-N 1 3 358.574 2.513 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000369891491 512668412 /nfs/dbraw/zinc/66/84/12/512668412.db2.gz DWXIIJWPFYGFMN-HAGHYFMRSA-N 1 3 373.545 2.589 20 0 FFADHO C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000376203556 512708766 /nfs/dbraw/zinc/70/87/66/512708766.db2.gz PEDYZJRDYIGCEF-VQIMIIECSA-N 1 3 351.922 2.677 20 0 FFADHO C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000376203556 512708772 /nfs/dbraw/zinc/70/87/72/512708772.db2.gz PEDYZJRDYIGCEF-VQIMIIECSA-N 1 3 351.922 2.677 20 0 FFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(N)Cc4ccccc4C3)cc21 ZINC000372099482 512716302 /nfs/dbraw/zinc/71/63/02/512716302.db2.gz VHYIRRMJWSSEHG-UHFFFAOYSA-N 1 3 362.477 2.638 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000372161021 512739550 /nfs/dbraw/zinc/73/95/50/512739550.db2.gz RXCRAACTWXYJCL-QUCCMNQESA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000372161021 512739555 /nfs/dbraw/zinc/73/95/55/512739555.db2.gz RXCRAACTWXYJCL-QUCCMNQESA-N 1 3 371.529 2.577 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370114059 512774208 /nfs/dbraw/zinc/77/42/08/512774208.db2.gz TUHAHNADLSGHLH-LEWJYISDSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370114059 512774209 /nfs/dbraw/zinc/77/42/09/512774209.db2.gz TUHAHNADLSGHLH-LEWJYISDSA-N 1 3 372.557 2.882 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000411791757 512814002 /nfs/dbraw/zinc/81/40/02/512814002.db2.gz HQMIHEIXMXZMIF-WOJBJXKFSA-N 1 3 373.541 2.560 20 0 FFADHO CO[C@@](C)([C@H](C)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000411948040 512885596 /nfs/dbraw/zinc/88/55/96/512885596.db2.gz MSIPNESCEGYIRC-JTSKRJEESA-N 1 3 373.541 2.692 20 0 FFADHO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000372504807 512907798 /nfs/dbraw/zinc/90/77/98/512907798.db2.gz RQJCZNAITCHDPO-SJLPKXTDSA-N 1 3 369.431 2.699 20 0 FFADHO Cc1nc2ccccn2c1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397593267 512947569 /nfs/dbraw/zinc/94/75/69/512947569.db2.gz KNZYTBCWTOSOQB-UHFFFAOYSA-N 1 3 364.493 2.759 20 0 FFADHO CC(=O)Nc1ccccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397559581 512947786 /nfs/dbraw/zinc/94/77/86/512947786.db2.gz QBMXJOAZZMPHNG-UHFFFAOYSA-N 1 3 367.493 2.762 20 0 FFADHO COc1ccc2oc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000370703845 513061593 /nfs/dbraw/zinc/06/15/93/513061593.db2.gz VAHVNIFEFCZXCA-UZLBHIALSA-N 1 3 357.498 2.899 20 0 FFADHO COc1ccc2oc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000370703845 513061596 /nfs/dbraw/zinc/06/15/96/513061596.db2.gz VAHVNIFEFCZXCA-UZLBHIALSA-N 1 3 357.498 2.899 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000372872852 513084415 /nfs/dbraw/zinc/08/44/15/513084415.db2.gz LVIMGTZZBIMHME-UYAOXDASSA-N 1 3 361.505 2.980 20 0 FFADHO Cc1ccc(NC(=O)NC[C@@H](N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000415197229 513147933 /nfs/dbraw/zinc/14/79/33/513147933.db2.gz AARHRQYTDXMTBP-QGZVFWFLSA-N 1 3 356.470 2.757 20 0 FFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450341669 513150443 /nfs/dbraw/zinc/15/04/43/513150443.db2.gz LUANGLWJIMSKKV-WEMPKCCASA-N 1 3 360.542 2.972 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417668914 513150994 /nfs/dbraw/zinc/15/09/94/513150994.db2.gz LGKRUAGLNMLCSO-NJYVYQBISA-N 1 3 370.541 2.682 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c(OCCN(C)C)c1 ZINC000415202800 513151614 /nfs/dbraw/zinc/15/16/14/513151614.db2.gz JPFVKZBDMJDVEG-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccs1 ZINC000417738249 513188386 /nfs/dbraw/zinc/18/83/86/513188386.db2.gz OPVGXUDSGYEFIU-DFGXFYAUSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417742634 513191467 /nfs/dbraw/zinc/19/14/67/513191467.db2.gz WHPWVYXEAFPPOI-INMHGKMJSA-N 1 3 352.548 2.948 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417747446 513193331 /nfs/dbraw/zinc/19/33/31/513193331.db2.gz RLJIVCGJDDNHIF-GDBMZVCRSA-N 1 3 372.435 2.736 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417795123 513212080 /nfs/dbraw/zinc/21/20/80/513212080.db2.gz NUFILTRJHATUSZ-ICSRJNTNSA-N 1 3 358.530 2.813 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417795123 513212086 /nfs/dbraw/zinc/21/20/86/513212086.db2.gz NUFILTRJHATUSZ-ICSRJNTNSA-N 1 3 358.530 2.813 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446262706 513222015 /nfs/dbraw/zinc/22/20/15/513222015.db2.gz OSQBSGIYHQUUBL-XQBPLPMBSA-N 1 3 373.541 2.676 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446262706 513222022 /nfs/dbraw/zinc/22/20/22/513222022.db2.gz OSQBSGIYHQUUBL-XQBPLPMBSA-N 1 3 373.541 2.676 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000417836356 513229174 /nfs/dbraw/zinc/22/91/74/513229174.db2.gz LPWBRQPJOPGGQF-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421347058 513231533 /nfs/dbraw/zinc/23/15/33/513231533.db2.gz BAZQSPHYPUTASX-OFOKGCAXSA-N 1 3 355.526 2.778 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000417851930 513238939 /nfs/dbraw/zinc/23/89/39/513238939.db2.gz YZFDZHWCCKCXBC-HOJAQTOUSA-N 1 3 358.530 2.871 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000428984108 513238992 /nfs/dbraw/zinc/23/89/92/513238992.db2.gz WPVGNLZVFLADLF-LFGUQSLTSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000428984108 513238994 /nfs/dbraw/zinc/23/89/94/513238994.db2.gz WPVGNLZVFLADLF-LFGUQSLTSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCNC(C)(C)C1 ZINC000417886983 513255246 /nfs/dbraw/zinc/25/52/46/513255246.db2.gz IAUKOQZRPPTFSA-IAGOWNOFSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000429156199 513293490 /nfs/dbraw/zinc/29/34/90/513293490.db2.gz DYXOCQQJBOPRBU-UWWQBHOKSA-N 1 3 369.431 2.637 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417977132 513312743 /nfs/dbraw/zinc/31/27/43/513312743.db2.gz GUROWMAPTVBRTD-GOSISDBHSA-N 1 3 354.498 2.677 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418011683 513333954 /nfs/dbraw/zinc/33/39/54/513333954.db2.gz LDELJOVRGSRFNH-QMMLZNLJSA-N 1 3 370.541 2.538 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000418047619 513352388 /nfs/dbraw/zinc/35/23/88/513352388.db2.gz TUPKNRGLNCIGGQ-SVFBPWRDSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(C1CC[NH+](C2CC2)CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425001036 513362549 /nfs/dbraw/zinc/36/25/49/513362549.db2.gz CPXHAQYIQGKSIF-PZJWPPBQSA-N 1 3 353.510 2.594 20 0 FFADHO CN(C)CCn1nnnc1SCc1cccc(C[NH+]2CCCCC2)c1 ZINC000412998269 513384479 /nfs/dbraw/zinc/38/44/79/513384479.db2.gz YHQIPSIMDUTLSW-UHFFFAOYSA-N 1 3 360.531 2.513 20 0 FFADHO CCc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c2ccccc2n1 ZINC000450889108 513385644 /nfs/dbraw/zinc/38/56/44/513385644.db2.gz BTGHQPSFACREQQ-QGZVFWFLSA-N 1 3 352.482 2.588 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000447046322 513386375 /nfs/dbraw/zinc/38/63/75/513386375.db2.gz ZENJNQFLUPBAAT-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H](C)CN1 ZINC000418164047 513399105 /nfs/dbraw/zinc/39/91/05/513399105.db2.gz WSLJJASYDYNKJJ-LMMKCTJWSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H](C)CN1 ZINC000418164047 513399111 /nfs/dbraw/zinc/39/91/11/513399111.db2.gz WSLJJASYDYNKJJ-LMMKCTJWSA-N 1 3 358.530 2.679 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000418184737 513409851 /nfs/dbraw/zinc/40/98/51/513409851.db2.gz QHZOYQHBSAAYGP-KEWVYSCRSA-N 1 3 358.530 2.911 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418191925 513414803 /nfs/dbraw/zinc/41/48/03/513414803.db2.gz LQTORYUDZNAOFD-SJORKVTESA-N 1 3 370.488 2.770 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCCCC[NH3+])CC1 ZINC000415799044 513426458 /nfs/dbraw/zinc/42/64/58/513426458.db2.gz BJNJBUISQXXOGU-UHFFFAOYSA-N 1 3 354.882 2.673 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)N(CC)CC)cc1 ZINC000418223145 513429701 /nfs/dbraw/zinc/42/97/01/513429701.db2.gz YHIOKEBENCNENV-HKBOAZHASA-N 1 3 372.557 2.883 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415805658 513430671 /nfs/dbraw/zinc/43/06/71/513430671.db2.gz MRCGUEAALARLJG-CYBMUJFWSA-N 1 3 368.909 2.933 20 0 FFADHO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415810254 513431936 /nfs/dbraw/zinc/43/19/36/513431936.db2.gz VONSCZMZNCGPJB-ZDUSSCGKSA-N 1 3 368.909 2.790 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000418230803 513432404 /nfs/dbraw/zinc/43/24/04/513432404.db2.gz JTFRPTNCSTXLLB-JQHSSLGASA-N 1 3 364.559 2.828 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000418228930 513432734 /nfs/dbraw/zinc/43/27/34/513432734.db2.gz FUZJTGCNNKURGU-MJGOQNOKSA-N 1 3 364.559 2.700 20 0 FFADHO C[C@H](NC(=O)NCC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000418239368 513437197 /nfs/dbraw/zinc/43/71/97/513437197.db2.gz HDLXYNJUQSBSBX-PKOBYXMFSA-N 1 3 358.530 2.728 20 0 FFADHO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000421868447 513455687 /nfs/dbraw/zinc/45/56/87/513455687.db2.gz QODZZAPJRCMJNN-IRXDYDNUSA-N 1 3 350.503 2.862 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)Cc1ccccc1 ZINC000441015292 513461281 /nfs/dbraw/zinc/46/12/81/513461281.db2.gz KDLRNENXGTWGSP-QFUCXCTJSA-N 1 3 372.557 2.864 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000415896612 513467908 /nfs/dbraw/zinc/46/79/08/513467908.db2.gz OGPRSYMRMONFFH-OXJNMPFZSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000415896612 513467916 /nfs/dbraw/zinc/46/79/16/513467916.db2.gz OGPRSYMRMONFFH-OXJNMPFZSA-N 1 3 354.498 2.813 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CN1C1CC1 ZINC000441061708 513472363 /nfs/dbraw/zinc/47/23/63/513472363.db2.gz XFSSDUVCRLQLEU-YVWKXTFCSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CN1C1CC1 ZINC000441061708 513472369 /nfs/dbraw/zinc/47/23/69/513472369.db2.gz XFSSDUVCRLQLEU-YVWKXTFCSA-N 1 3 362.562 2.956 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000418346286 513476244 /nfs/dbraw/zinc/47/62/44/513476244.db2.gz HRIIMRQPOFZSBK-TZIWHRDSSA-N 1 3 358.530 2.937 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000418346286 513476252 /nfs/dbraw/zinc/47/62/52/513476252.db2.gz HRIIMRQPOFZSBK-TZIWHRDSSA-N 1 3 358.530 2.937 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418352762 513478434 /nfs/dbraw/zinc/47/84/34/513478434.db2.gz CGSKRPPFWLNYFC-LJQANCHMSA-N 1 3 364.509 2.807 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000418363397 513484743 /nfs/dbraw/zinc/48/47/43/513484743.db2.gz VTWCHIRVSOTXQQ-PCCBWWKXSA-N 1 3 366.509 2.865 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000418371124 513486470 /nfs/dbraw/zinc/48/64/70/513486470.db2.gz XBCABDLECDOTLO-RBUKOAKNSA-N 1 3 362.518 2.505 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418415014 513500175 /nfs/dbraw/zinc/50/01/75/513500175.db2.gz SJPGLORMZDJCAT-WOJBJXKFSA-N 1 3 360.546 2.710 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418415639 513500319 /nfs/dbraw/zinc/50/03/19/513500319.db2.gz SSBTTYPJLREGEH-CRAIPNDOSA-N 1 3 368.472 2.556 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000415961517 513501264 /nfs/dbraw/zinc/50/12/64/513501264.db2.gz RMZRRIYBDVYAIP-MRXNPFEDSA-N 1 3 360.477 2.857 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000415961517 513501269 /nfs/dbraw/zinc/50/12/69/513501269.db2.gz RMZRRIYBDVYAIP-MRXNPFEDSA-N 1 3 360.477 2.857 20 0 FFADHO N[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000418454679 513518973 /nfs/dbraw/zinc/51/89/73/513518973.db2.gz QTBPQPZTVSSDFJ-SXLOBPIMSA-N 1 3 370.472 2.518 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415996443 513527588 /nfs/dbraw/zinc/52/75/88/513527588.db2.gz MTTAFGNOKCLCAS-UHFFFAOYSA-N 1 3 374.529 2.892 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415996443 513527597 /nfs/dbraw/zinc/52/75/97/513527597.db2.gz MTTAFGNOKCLCAS-UHFFFAOYSA-N 1 3 374.529 2.892 20 0 FFADHO CN(C(=O)NCC1(C)CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000418504821 513536808 /nfs/dbraw/zinc/53/68/08/513536808.db2.gz BIURHDXSBOUKTR-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416018871 513541154 /nfs/dbraw/zinc/54/11/54/513541154.db2.gz ZGPXIVDVICUXEO-HNNXBMFYSA-N 1 3 360.424 2.559 20 0 FFADHO C[C@@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418516675 513541598 /nfs/dbraw/zinc/54/15/98/513541598.db2.gz CQBLTKHKGCLNPN-ZDUSSCGKSA-N 1 3 360.424 2.516 20 0 FFADHO C[C@@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418526482 513544217 /nfs/dbraw/zinc/54/42/17/513544217.db2.gz NDKBFJURJIGNIQ-ZDUSSCGKSA-N 1 3 360.424 2.516 20 0 FFADHO CCN(C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418537096 513547926 /nfs/dbraw/zinc/54/79/26/513547926.db2.gz IBNXDJMOVXLLST-FXAWDEMLSA-N 1 3 356.514 2.773 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418553683 513555138 /nfs/dbraw/zinc/55/51/38/513555138.db2.gz MRKYGCAHMMIBPL-UHFFFAOYSA-N 1 3 370.472 2.702 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000418609435 513576929 /nfs/dbraw/zinc/57/69/29/513576929.db2.gz SMGHMBQXEWNSEP-PIKOESSRSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000418610354 513577267 /nfs/dbraw/zinc/57/72/67/513577267.db2.gz UGKMGDZOBBBEHK-RRENTHDGSA-N 1 3 350.551 2.669 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418618407 513579684 /nfs/dbraw/zinc/57/96/84/513579684.db2.gz IZZRISDOFJQGMP-GOSISDBHSA-N 1 3 368.472 2.556 20 0 FFADHO CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000416125688 513582957 /nfs/dbraw/zinc/58/29/57/513582957.db2.gz QGDGYSMPUYNXKR-SFTDATJTSA-N 1 3 353.510 2.969 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418656307 513596253 /nfs/dbraw/zinc/59/62/53/513596253.db2.gz FIMMNOLFGSSFHC-LEWJYISDSA-N 1 3 372.557 2.581 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000418657601 513597104 /nfs/dbraw/zinc/59/71/04/513597104.db2.gz HWYCRVHTHSARCU-DZFGPLHGSA-N 1 3 370.541 2.538 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418751854 513639565 /nfs/dbraw/zinc/63/95/65/513639565.db2.gz SALXFIOCGMEDRU-KRWDZBQOSA-N 1 3 368.472 2.537 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000430558185 513687588 /nfs/dbraw/zinc/68/75/88/513687588.db2.gz VHFIKUBXINHKOG-NEPJUHHUSA-N 1 3 372.282 2.976 20 0 FFADHO COc1cc(NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C)c(OC)cc1Cl ZINC000430586310 513695685 /nfs/dbraw/zinc/69/56/85/513695685.db2.gz VTFMXGPBSIOHMS-AWEZNQCLSA-N 1 3 371.909 2.991 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)[C@@H](C)C1 ZINC000442795776 513783799 /nfs/dbraw/zinc/78/37/99/513783799.db2.gz CKOSAUUAVCITEF-PXNSSMCTSA-N 1 3 359.514 2.650 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NCCN2CCCC[C@H]2C)CC1 ZINC000430985190 513798338 /nfs/dbraw/zinc/79/83/38/513798338.db2.gz SRRTVZOXSUVIHY-GOSISDBHSA-N 1 3 352.567 2.918 20 0 FFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000442873721 513800449 /nfs/dbraw/zinc/80/04/49/513800449.db2.gz LEKZGVQRZAQSEI-SFHVURJKSA-N 1 3 360.546 2.636 20 0 FFADHO CCCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451655771 513893132 /nfs/dbraw/zinc/89/31/32/513893132.db2.gz ZTAALZZXLBUGRX-RTBURBONSA-N 1 3 353.551 2.647 20 0 FFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422803733 513938047 /nfs/dbraw/zinc/93/80/47/513938047.db2.gz GJWJCLYIYHFEEX-YUMYIRISSA-N 1 3 357.542 2.570 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(CN)nc3C)CC2)nc(C)n1 ZINC000422837076 513947224 /nfs/dbraw/zinc/94/72/24/513947224.db2.gz LGMSUJQRWFIDJM-AWEZNQCLSA-N 1 3 354.502 2.575 20 0 FFADHO Cc1cccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCOCC2)c1 ZINC000422853148 513953349 /nfs/dbraw/zinc/95/33/49/513953349.db2.gz BNSSWYGRKAJXMN-VGSWGCGISA-N 1 3 368.525 2.881 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000431652025 513956627 /nfs/dbraw/zinc/95/66/27/513956627.db2.gz RIEDBUNBGJMFMF-IBGZPJMESA-N 1 3 352.567 2.918 20 0 FFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422880268 513962281 /nfs/dbraw/zinc/96/22/81/513962281.db2.gz NUWQJPTYFNTFCQ-GDBMZVCRSA-N 1 3 368.319 2.676 20 0 FFADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OCCC(C)C ZINC000422882617 513962492 /nfs/dbraw/zinc/96/24/92/513962492.db2.gz PGJUMCYQHDCRIQ-KBAYOESNSA-N 1 3 350.503 2.962 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000416792704 513970463 /nfs/dbraw/zinc/97/04/63/513970463.db2.gz YMTPHGOGQYSBRP-PWRODBHTSA-N 1 3 370.541 2.855 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422906118 513971889 /nfs/dbraw/zinc/97/18/89/513971889.db2.gz JDYSLHHORVDWQB-XJKSGUPXSA-N 1 3 368.319 2.515 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422906118 513971883 /nfs/dbraw/zinc/97/18/83/513971883.db2.gz JDYSLHHORVDWQB-XJKSGUPXSA-N 1 3 368.319 2.515 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416801107 513972361 /nfs/dbraw/zinc/97/23/61/513972361.db2.gz GNZVIQJYNVHQTL-WOJBJXKFSA-N 1 3 354.498 2.851 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000422908655 513973923 /nfs/dbraw/zinc/97/39/23/513973923.db2.gz YXVVWRQHKIFDKZ-DQLDELGASA-N 1 3 367.493 2.852 20 0 FFADHO CCOC(=O)COc1ccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422923291 513977409 /nfs/dbraw/zinc/97/74/09/513977409.db2.gz VUFFRCUVQQEKLS-PMACEKPBSA-N 1 3 354.450 2.905 20 0 FFADHO Cc1ccoc1C(=O)NCCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422927598 513978904 /nfs/dbraw/zinc/97/89/04/513978904.db2.gz ZERIXJZXRNKIAD-UTKZUKDTSA-N 1 3 369.465 2.553 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000416837665 513993598 /nfs/dbraw/zinc/99/35/98/513993598.db2.gz IGOFERFJIZEZDD-HZPDHXFCSA-N 1 3 350.532 2.702 20 0 FFADHO CCc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414179203 513998988 /nfs/dbraw/zinc/99/89/88/513998988.db2.gz AAIJTANBQMKVCR-MRXNPFEDSA-N 1 3 351.560 2.758 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426625843 513999370 /nfs/dbraw/zinc/99/93/70/513999370.db2.gz OOTUCSJZBUCBMH-HZPDHXFCSA-N 1 3 360.493 2.622 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426625843 513999375 /nfs/dbraw/zinc/99/93/75/513999375.db2.gz OOTUCSJZBUCBMH-HZPDHXFCSA-N 1 3 360.493 2.622 20 0 FFADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000414179876 514000576 /nfs/dbraw/zinc/00/05/76/514000576.db2.gz ARYVQIRCVVZQHF-HNNXBMFYSA-N 1 3 369.912 2.926 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)N(C)C)cc1 ZINC000416847700 514000694 /nfs/dbraw/zinc/00/06/94/514000694.db2.gz VYANWKXPPZZWHC-LEWJYISDSA-N 1 3 372.557 2.883 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1csc(Cl)c1 ZINC000414183429 514001732 /nfs/dbraw/zinc/00/17/32/514001732.db2.gz DTGDPMAFCVNOHQ-AWEZNQCLSA-N 1 3 357.951 2.849 20 0 FFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000422991398 514002209 /nfs/dbraw/zinc/00/22/09/514002209.db2.gz PQZOKPFLJCRTRN-CLAROIROSA-N 1 3 357.542 2.837 20 0 FFADHO Cc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CCC2)o1 ZINC000414188091 514003232 /nfs/dbraw/zinc/00/32/32/514003232.db2.gz ITXDESVZQXXOEP-HXUWFJFHSA-N 1 3 361.530 2.815 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000416859258 514008549 /nfs/dbraw/zinc/00/85/49/514008549.db2.gz ZSYAQTGDGSKLEY-UZLBHIALSA-N 1 3 354.498 2.678 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423041513 514016365 /nfs/dbraw/zinc/01/63/65/514016365.db2.gz JFYUASJQOCCNST-IFOZYUSPSA-N 1 3 358.313 2.914 20 0 FFADHO Cc1cc(N2CC[C@@H](N[C@@H](C)CCC[NH3+])C2=O)ccc1Br ZINC000423047930 514018398 /nfs/dbraw/zinc/01/83/98/514018398.db2.gz HSZUTXFTJFSHDJ-SWLSCSKDSA-N 1 3 354.292 2.580 20 0 FFADHO CC(C)[C@@H](C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000443676630 514020488 /nfs/dbraw/zinc/02/04/88/514020488.db2.gz WGHHIQLOMWSZKU-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431852791 514020603 /nfs/dbraw/zinc/02/06/03/514020603.db2.gz YXYFIEJSVULRMZ-HXUWFJFHSA-N 1 3 361.530 2.685 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cc2cc(Br)ccc2[nH]1 ZINC000423054483 514021253 /nfs/dbraw/zinc/02/12/53/514021253.db2.gz UUIBJERIFSIJJO-JMPLFQLZSA-N 1 3 352.276 2.772 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423061963 514024426 /nfs/dbraw/zinc/02/44/26/514024426.db2.gz LWOPVXSRWNNJTQ-SJORKVTESA-N 1 3 364.534 2.532 20 0 FFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423061962 514024664 /nfs/dbraw/zinc/02/46/64/514024664.db2.gz LWOPVXSRWNNJTQ-IRXDYDNUSA-N 1 3 364.534 2.532 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1cccc(OC)c1 ZINC000416905263 514036977 /nfs/dbraw/zinc/03/69/77/514036977.db2.gz FZIPMBPLPUAXPW-SFHVURJKSA-N 1 3 364.534 2.704 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)C1CNC1 ZINC000423095059 514039130 /nfs/dbraw/zinc/03/91/30/514039130.db2.gz LGPZJWWQSMMLBD-NWDGAFQWSA-N 1 3 358.267 2.810 20 0 FFADHO C[C@@H](N[C@@H](C)CCc1ccc(I)cc1)C1C[NH2+]C1 ZINC000423095059 514039136 /nfs/dbraw/zinc/03/91/36/514039136.db2.gz LGPZJWWQSMMLBD-NWDGAFQWSA-N 1 3 358.267 2.810 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423106419 514043885 /nfs/dbraw/zinc/04/38/85/514043885.db2.gz CRJQVYQXHWVNIA-PXNSSMCTSA-N 1 3 366.509 2.733 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2c3ccc(F)cc3O[C@@H]2C)CC[NH2+]CC1 ZINC000423123694 514050738 /nfs/dbraw/zinc/05/07/38/514050738.db2.gz LQARFHTYRODDOK-IIYDPXPESA-N 1 3 350.434 2.559 20 0 FFADHO COC1(C[C@@H](C)[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000414334886 514053669 /nfs/dbraw/zinc/05/36/69/514053669.db2.gz GMGQWJDPSPYPKC-QGZVFWFLSA-N 1 3 373.541 2.821 20 0 FFADHO COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423134324 514055659 /nfs/dbraw/zinc/05/56/59/514055659.db2.gz LYKHOFBTJRTLDW-HRCADAONSA-N 1 3 368.905 2.646 20 0 FFADHO CC(C)[C@@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000449076995 514061815 /nfs/dbraw/zinc/06/18/15/514061815.db2.gz QIMSAWJLYHACPC-VQIMIIECSA-N 1 3 352.544 2.904 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H]3CCCCC[C@@H]3N)CC2)cc1 ZINC000423160240 514064277 /nfs/dbraw/zinc/06/42/77/514064277.db2.gz ZJNIIHOKHHAUOB-SFTDATJTSA-N 1 3 358.530 2.859 20 0 FFADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416955476 514065764 /nfs/dbraw/zinc/06/57/64/514065764.db2.gz JLMLJTMMQOUDGG-HZPDHXFCSA-N 1 3 354.498 2.950 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2nc3c(s2)CCC3)CC[NH2+]CC1 ZINC000423169671 514068642 /nfs/dbraw/zinc/06/86/42/514068642.db2.gz KAZPADHYYXGDPK-CHWSQXEVSA-N 1 3 351.516 2.604 20 0 FFADHO C[C@H](NCCC[NH2+]Cc1cccnc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423190274 514075289 /nfs/dbraw/zinc/07/52/89/514075289.db2.gz QVLHISPBDSIALV-UGKGYDQZSA-N 1 3 368.525 2.613 20 0 FFADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420299571 514078680 /nfs/dbraw/zinc/07/86/80/514078680.db2.gz IZRVRCZBSXMQQC-FQEVSTJZSA-N 1 3 369.509 2.961 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420299571 514078685 /nfs/dbraw/zinc/07/86/85/514078685.db2.gz IZRVRCZBSXMQQC-FQEVSTJZSA-N 1 3 369.509 2.961 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420299571 514078690 /nfs/dbraw/zinc/07/86/90/514078690.db2.gz IZRVRCZBSXMQQC-FQEVSTJZSA-N 1 3 369.509 2.961 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000420298705 514079153 /nfs/dbraw/zinc/07/91/53/514079153.db2.gz FVOCXEYAYHMNNP-SFHVURJKSA-N 1 3 353.466 2.501 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000420298705 514079160 /nfs/dbraw/zinc/07/91/60/514079160.db2.gz FVOCXEYAYHMNNP-SFHVURJKSA-N 1 3 353.466 2.501 20 0 FFADHO N[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000416977568 514084295 /nfs/dbraw/zinc/08/42/95/514084295.db2.gz QDQKECYWYYTFHD-NRFANRHFSA-N 1 3 366.509 2.693 20 0 FFADHO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(N4CCNCC4)cn3)CC2)C1 ZINC000423233346 514087274 /nfs/dbraw/zinc/08/72/74/514087274.db2.gz ODMSXGZTZXVMRW-HKUYNNGSSA-N 1 3 357.546 2.946 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000420319469 514093136 /nfs/dbraw/zinc/09/31/36/514093136.db2.gz PORKOMQECLVZRW-FQEVSTJZSA-N 1 3 373.541 2.708 20 0 FFADHO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417002280 514108679 /nfs/dbraw/zinc/10/86/79/514108679.db2.gz AMALAFHABLASTJ-BQJUDKOJSA-N 1 3 370.541 2.592 20 0 FFADHO C[C@@H](CCc1ccc(I)cc1)NC[C@@H]([NH3+])C1CC1 ZINC000423325671 514110486 /nfs/dbraw/zinc/11/04/86/514110486.db2.gz QMLCHIAXKJXAAJ-XHDPSFHLSA-N 1 3 358.267 2.939 20 0 FFADHO CC(C)C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)NCCN(C)C ZINC000449205665 514112559 /nfs/dbraw/zinc/11/25/59/514112559.db2.gz OJYCNVBIIMMIPM-UUKMXZOPSA-N 1 3 367.578 2.939 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2C[C@@H](C)CCN2)ccc1OC ZINC000423357451 514116128 /nfs/dbraw/zinc/11/61/28/514116128.db2.gz IAUKAFGCOIPQMR-DOTOQJQBSA-N 1 3 363.502 2.742 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417012405 514117845 /nfs/dbraw/zinc/11/78/45/514117845.db2.gz AIJNQZDJEXEAMT-SFTDATJTSA-N 1 3 370.541 2.855 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1ccsc1 ZINC000417012852 514118463 /nfs/dbraw/zinc/11/84/63/514118463.db2.gz XSKRWQICKNLBRC-HYVNUMGLSA-N 1 3 352.548 2.900 20 0 FFADHO C[C@H](Cc1coc2ccccc12)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423382044 514123027 /nfs/dbraw/zinc/12/30/27/514123027.db2.gz GCJZYCKPLRIRGA-DYVFJYSZSA-N 1 3 355.404 2.790 20 0 FFADHO CC(C)Oc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423380639 514123321 /nfs/dbraw/zinc/12/33/21/514123321.db2.gz HGVOUGBMRHZCAY-RHSMWYFYSA-N 1 3 359.436 2.961 20 0 FFADHO CC[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417018784 514123632 /nfs/dbraw/zinc/12/36/32/514123632.db2.gz QKBCTLQUNMMXHU-IBGZPJMESA-N 1 3 358.530 2.512 20 0 FFADHO Cc1ccc2c(c1)OCCC[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423393396 514127126 /nfs/dbraw/zinc/12/71/26/514127126.db2.gz RBIOAAOWXYYZJL-NVXWUHKLSA-N 1 3 357.420 2.634 20 0 FFADHO CCCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000417031987 514132177 /nfs/dbraw/zinc/13/21/77/514132177.db2.gz QKWXZFPDJOBPSF-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000417038174 514135562 /nfs/dbraw/zinc/13/55/62/514135562.db2.gz UOVONMGXEKZBGT-UHFFFAOYSA-N 1 3 366.509 2.605 20 0 FFADHO COC[C@@]1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCCN1 ZINC000423421161 514135741 /nfs/dbraw/zinc/13/57/41/514135741.db2.gz JWGHWBRDHUUAIA-IRXDYDNUSA-N 1 3 353.304 2.665 20 0 FFADHO Cc1cc(Cl)cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414487596 514145357 /nfs/dbraw/zinc/14/53/57/514145357.db2.gz SOGPEZOUHBZQEE-UHFFFAOYSA-N 1 3 351.922 2.535 20 0 FFADHO CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423469084 514148524 /nfs/dbraw/zinc/14/85/24/514148524.db2.gz YKGXZHRUYQLHOO-LMMKCTJWSA-N 1 3 351.441 2.652 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000417074077 514154533 /nfs/dbraw/zinc/15/45/33/514154533.db2.gz UBDCRVBUPLGBKQ-PMACEKPBSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H](CN1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449325936 514165868 /nfs/dbraw/zinc/16/58/68/514165868.db2.gz QRCBIKMHLVQGNC-LPHOPBHVSA-N 1 3 364.555 2.857 20 0 FFADHO CC1CC[NH+](CCC[C@@H](NC[C@H]2CNCCO2)c2ccc(F)cc2)CC1 ZINC000423541830 514166183 /nfs/dbraw/zinc/16/61/83/514166183.db2.gz AZKANTDRIFXCNT-NHCUHLMSSA-N 1 3 363.521 2.957 20 0 FFADHO CC[C@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)[NH+](CC)CC ZINC000427291789 514173609 /nfs/dbraw/zinc/17/36/09/514173609.db2.gz JWUAEEPDYPFCLS-QWFCFKBJSA-N 1 3 367.578 2.845 20 0 FFADHO CC(C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000427298979 514176213 /nfs/dbraw/zinc/17/62/13/514176213.db2.gz IGLCRWLBLATKBD-GHTZIAJQSA-N 1 3 357.542 2.965 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417178025 514211972 /nfs/dbraw/zinc/21/19/72/514211972.db2.gz DKGLTXBAFBYFTD-OAQYLSRUSA-N 1 3 368.525 2.720 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423776925 514226242 /nfs/dbraw/zinc/22/62/42/514226242.db2.gz OGSALKUEZOPSLR-RZFNWQHOSA-N 1 3 363.505 2.554 20 0 FFADHO CC(C)C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)NCCN(C)C ZINC000437787542 514237297 /nfs/dbraw/zinc/23/72/97/514237297.db2.gz QSUVHUDPGKELBF-KKUMJFAQSA-N 1 3 351.457 2.790 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417218602 514239620 /nfs/dbraw/zinc/23/96/20/514239620.db2.gz HFJNASACIGUJMZ-FXAKRSSYSA-N 1 3 356.514 2.746 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000417218386 514239642 /nfs/dbraw/zinc/23/96/42/514239642.db2.gz GLPOWLZDERDNJP-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000417219135 514239812 /nfs/dbraw/zinc/23/98/12/514239812.db2.gz IHEPPXYPFYEKHH-DUXKGJEZSA-N 1 3 370.541 2.996 20 0 FFADHO CN(CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)Cc1ccccc1 ZINC000417231310 514248033 /nfs/dbraw/zinc/24/80/33/514248033.db2.gz NBKCIESGGWNBIR-FQEVSTJZSA-N 1 3 354.498 2.898 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000449550084 514250808 /nfs/dbraw/zinc/25/08/08/514250808.db2.gz CBMSWIGQUPNEHM-SFHLNBCPSA-N 1 3 357.542 2.811 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000449550084 514250814 /nfs/dbraw/zinc/25/08/14/514250814.db2.gz CBMSWIGQUPNEHM-SFHLNBCPSA-N 1 3 357.542 2.811 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])c(C)c2)CC1 ZINC000414750574 514272599 /nfs/dbraw/zinc/27/25/99/514272599.db2.gz LXKWUOSNXUNWGT-YLJYHZDGSA-N 1 3 373.545 2.776 20 0 FFADHO Cc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccnn2C)c1 ZINC000414777925 514288910 /nfs/dbraw/zinc/28/89/10/514288910.db2.gz IPTVBJXUUXDJDZ-GOSISDBHSA-N 1 3 354.498 2.583 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c(-c2ccnn2C)c1 ZINC000414777925 514288916 /nfs/dbraw/zinc/28/89/16/514288916.db2.gz IPTVBJXUUXDJDZ-GOSISDBHSA-N 1 3 354.498 2.583 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c(-c2ccnn2C)c1 ZINC000414777925 514288923 /nfs/dbraw/zinc/28/89/23/514288923.db2.gz IPTVBJXUUXDJDZ-GOSISDBHSA-N 1 3 354.498 2.583 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417333086 514297612 /nfs/dbraw/zinc/29/76/12/514297612.db2.gz ROQPJNIAJVHPGA-FCGDIQPGSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000417354515 514308126 /nfs/dbraw/zinc/30/81/26/514308126.db2.gz MASPKXGBPMOBHO-PZJWPPBQSA-N 1 3 356.514 2.527 20 0 FFADHO CC[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N1CCc2ccccc2C1 ZINC000420812072 514313479 /nfs/dbraw/zinc/31/34/79/514313479.db2.gz WVCQPEPLCYUICU-NYLDSWQDSA-N 1 3 372.557 2.995 20 0 FFADHO COc1ccc(-c2n[nH]cc2CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414872637 514332842 /nfs/dbraw/zinc/33/28/42/514332842.db2.gz GEVFHEZFDGFLFV-UHFFFAOYSA-N 1 3 351.454 2.750 20 0 FFADHO CCOc1cc(C[NH2+][C@H](C)CN)ccc1OCC(=O)Nc1ccccc1 ZINC000414922046 514357695 /nfs/dbraw/zinc/35/76/95/514357695.db2.gz BSAMGOVQBZUNCB-OAHLLOKOSA-N 1 3 357.454 2.540 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438345466 514360945 /nfs/dbraw/zinc/36/09/45/514360945.db2.gz MRKDKZGXQUNWIP-DFQSSKMNSA-N 1 3 362.562 2.909 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438345466 514360952 /nfs/dbraw/zinc/36/09/52/514360952.db2.gz MRKDKZGXQUNWIP-DFQSSKMNSA-N 1 3 362.562 2.909 20 0 FFADHO CN1CC[NH2+]C[C@H]1CNC(Cc1ccccc1F)Cc1ccccc1F ZINC000414974386 514382081 /nfs/dbraw/zinc/38/20/81/514382081.db2.gz KDVAIDKYAMCYJF-IBGZPJMESA-N 1 3 359.464 2.612 20 0 FFADHO CSc1ccccc1C[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414986841 514388672 /nfs/dbraw/zinc/38/86/72/514388672.db2.gz OCEZHYAXKVINQA-BBRMVZONSA-N 1 3 361.477 2.765 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000424142621 514397103 /nfs/dbraw/zinc/39/71/03/514397103.db2.gz INVYHYJCZOEFDQ-OJLVUWQFSA-N 1 3 355.404 2.552 20 0 FFADHO C[C@H]1C[C@@H]1N1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H](C)C1 ZINC000420960350 514403923 /nfs/dbraw/zinc/40/39/23/514403923.db2.gz GPIHUNHXKONPOJ-DXIQSLLYSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@H]1C[C@@H]1N1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H](C)C1 ZINC000420960350 514403929 /nfs/dbraw/zinc/40/39/29/514403929.db2.gz GPIHUNHXKONPOJ-DXIQSLLYSA-N 1 3 357.542 2.681 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccccc3OC)CC2)CC1 ZINC000420975253 514415035 /nfs/dbraw/zinc/41/50/35/514415035.db2.gz FMLUUDXHBXRMMJ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCOc3ccccc3OC)CC2)CC1 ZINC000420975253 514415036 /nfs/dbraw/zinc/41/50/36/514415036.db2.gz FMLUUDXHBXRMMJ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CC[NH+]1CCC(N2CCCN(CCOc3ccccc3OC)CC2)CC1 ZINC000420975253 514415037 /nfs/dbraw/zinc/41/50/37/514415037.db2.gz FMLUUDXHBXRMMJ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415064799 514424421 /nfs/dbraw/zinc/42/44/21/514424421.db2.gz DOTDTICQMCHLAQ-MOPGFXCFSA-N 1 3 374.554 2.636 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[C@H]1c1ccccc1 ZINC000445220872 514445883 /nfs/dbraw/zinc/44/58/83/514445883.db2.gz VSDHSABVJVQPNW-RTBURBONSA-N 1 3 358.530 2.853 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC[N@H+]2CCCC(C)(C)C2)[C@H]1c1ccccc1 ZINC000445220872 514445887 /nfs/dbraw/zinc/44/58/87/514445887.db2.gz VSDHSABVJVQPNW-RTBURBONSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000415107872 514446285 /nfs/dbraw/zinc/44/62/85/514446285.db2.gz PNPKZHGLHIPMDF-ZIAGYGMSSA-N 1 3 357.420 2.596 20 0 FFADHO O=C1N[C@H]2CN(Cc3csc4ccccc34)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415144959 514468366 /nfs/dbraw/zinc/46/83/66/514468366.db2.gz WDNMBZUWWGJVGM-ZWKOTPCHSA-N 1 3 370.522 2.621 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000465917854 514518520 /nfs/dbraw/zinc/51/85/20/514518520.db2.gz JPYFDASUCKCLMJ-WJFTUGDTSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000465917854 514518530 /nfs/dbraw/zinc/51/85/30/514518530.db2.gz JPYFDASUCKCLMJ-WJFTUGDTSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](Cc1cnccn1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000453072392 514535893 /nfs/dbraw/zinc/53/58/93/514535893.db2.gz XWHZCJWDYJMYPU-HXUWFJFHSA-N 1 3 367.541 2.595 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@@H+]1C ZINC000466036108 514545036 /nfs/dbraw/zinc/54/50/36/514545036.db2.gz DONCWOVZSIPLRI-CTNGQTDRSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@H+]1C ZINC000466036108 514545038 /nfs/dbraw/zinc/54/50/38/514545038.db2.gz DONCWOVZSIPLRI-CTNGQTDRSA-N 1 3 372.557 2.819 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000439406555 514546180 /nfs/dbraw/zinc/54/61/80/514546180.db2.gz FPNYOCJQMXDNDK-QGZVFWFLSA-N 1 3 374.533 2.542 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000439406555 514546191 /nfs/dbraw/zinc/54/61/91/514546191.db2.gz FPNYOCJQMXDNDK-QGZVFWFLSA-N 1 3 374.533 2.542 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCN1C ZINC000466048633 514547766 /nfs/dbraw/zinc/54/77/66/514547766.db2.gz JQUITRZUQZHDPQ-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCN1C ZINC000466048633 514547770 /nfs/dbraw/zinc/54/77/70/514547770.db2.gz JQUITRZUQZHDPQ-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453137038 514554478 /nfs/dbraw/zinc/55/44/78/514554478.db2.gz CECQJHOXLHTULB-UWHLTILDSA-N 1 3 370.541 2.823 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453137038 514554483 /nfs/dbraw/zinc/55/44/83/514554483.db2.gz CECQJHOXLHTULB-UWHLTILDSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000466136422 514564525 /nfs/dbraw/zinc/56/45/25/514564525.db2.gz DZBNMEWLEMJEFE-PVAVHDDUSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000466136422 514564532 /nfs/dbraw/zinc/56/45/32/514564532.db2.gz DZBNMEWLEMJEFE-PVAVHDDUSA-N 1 3 362.543 2.667 20 0 FFADHO Cc1cc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cs1 ZINC000453182482 514567000 /nfs/dbraw/zinc/56/70/00/514567000.db2.gz MKKXGZGWJQHRLD-APWZRJJASA-N 1 3 359.539 2.996 20 0 FFADHO COCC[C@H]1CCCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475131223 514567510 /nfs/dbraw/zinc/56/75/10/514567510.db2.gz YYXLBRMARAMCAD-QUCCMNQESA-N 1 3 361.530 2.544 20 0 FFADHO COCC[C@H]1CCCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475131223 514567511 /nfs/dbraw/zinc/56/75/11/514567511.db2.gz YYXLBRMARAMCAD-QUCCMNQESA-N 1 3 361.530 2.544 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475138805 514569831 /nfs/dbraw/zinc/56/98/31/514569831.db2.gz WHFHLKVWXPLFTB-AQNXPRMDSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475138805 514569835 /nfs/dbraw/zinc/56/98/35/514569835.db2.gz WHFHLKVWXPLFTB-AQNXPRMDSA-N 1 3 356.514 2.529 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NCC3(N4CCOCC4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453210091 514571412 /nfs/dbraw/zinc/57/14/12/514571412.db2.gz LUFGGUKEHZJGGT-FSSWDIPSSA-N 1 3 369.553 2.884 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NCC3(N4CCOCC4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453210091 514571414 /nfs/dbraw/zinc/57/14/14/514571414.db2.gz LUFGGUKEHZJGGT-FSSWDIPSSA-N 1 3 369.553 2.884 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000466227580 514582813 /nfs/dbraw/zinc/58/28/13/514582813.db2.gz PIUNWRXJEQKWQV-QRQLOZEOSA-N 1 3 350.551 2.669 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccsc1 ZINC000466231158 514583571 /nfs/dbraw/zinc/58/35/71/514583571.db2.gz OTTUEZFQOPFTGO-BMGDILEWSA-N 1 3 364.559 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccsc1 ZINC000466231158 514583578 /nfs/dbraw/zinc/58/35/78/514583578.db2.gz OTTUEZFQOPFTGO-BMGDILEWSA-N 1 3 364.559 2.913 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCCC34CCOCC4)CC2)ccn1 ZINC000502242388 514594228 /nfs/dbraw/zinc/59/42/28/514594228.db2.gz RACOOIOFPRXIBZ-FQEVSTJZSA-N 1 3 358.530 2.533 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000470892421 514660746 /nfs/dbraw/zinc/66/07/46/514660746.db2.gz MGBKZHBPQCKODG-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000470892421 514660755 /nfs/dbraw/zinc/66/07/55/514660755.db2.gz MGBKZHBPQCKODG-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)N1[C@H](C)CC[C@H]1C ZINC000458277568 514681213 /nfs/dbraw/zinc/68/12/13/514681213.db2.gz DUYSPVHBRYCSJO-KFWWJZLASA-N 1 3 351.466 2.966 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000466552998 514689350 /nfs/dbraw/zinc/68/93/50/514689350.db2.gz RFHAKIFKPAPQQI-JYWFKMLOSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466552998 514689359 /nfs/dbraw/zinc/68/93/59/514689359.db2.gz RFHAKIFKPAPQQI-JYWFKMLOSA-N 1 3 370.541 2.679 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)N(C)C)cc1 ZINC000458302372 514697139 /nfs/dbraw/zinc/69/71/39/514697139.db2.gz YQLCTLQSRWPRJB-KDOFPFPSSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000458302372 514697147 /nfs/dbraw/zinc/69/71/47/514697147.db2.gz YQLCTLQSRWPRJB-KDOFPFPSSA-N 1 3 364.559 2.793 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000455732035 514707744 /nfs/dbraw/zinc/70/77/44/514707744.db2.gz KWOXENGYNIZQEK-SFHVURJKSA-N 1 3 372.513 2.695 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000455732035 514707754 /nfs/dbraw/zinc/70/77/54/514707754.db2.gz KWOXENGYNIZQEK-SFHVURJKSA-N 1 3 372.513 2.695 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000498060816 514743506 /nfs/dbraw/zinc/74/35/06/514743506.db2.gz FDMOEVGJJAQXMF-OALUTQOASA-N 1 3 361.505 2.886 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000498060816 514743510 /nfs/dbraw/zinc/74/35/10/514743510.db2.gz FDMOEVGJJAQXMF-OALUTQOASA-N 1 3 361.505 2.886 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(F)cc2cccnc21 ZINC000502928156 514845997 /nfs/dbraw/zinc/84/59/97/514845997.db2.gz DUULRZJPLHGWIP-SFHVURJKSA-N 1 3 372.488 2.862 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(F)cc2cccnc21 ZINC000502928156 514846007 /nfs/dbraw/zinc/84/60/07/514846007.db2.gz DUULRZJPLHGWIP-SFHVURJKSA-N 1 3 372.488 2.862 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000489548612 514890199 /nfs/dbraw/zinc/89/01/99/514890199.db2.gz IEEQHZMCOKNKIO-JYBIWHBTSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000489548612 514890209 /nfs/dbraw/zinc/89/02/09/514890209.db2.gz IEEQHZMCOKNKIO-JYBIWHBTSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000480263494 514901557 /nfs/dbraw/zinc/90/15/57/514901557.db2.gz MFTBGTBCISCPRO-HNNXBMFYSA-N 1 3 361.511 2.971 20 0 FFADHO CC[NH+](CC)CCOC1CCN(CCc2nc3ccccc3n2C)CC1 ZINC000467177051 514927866 /nfs/dbraw/zinc/92/78/66/514927866.db2.gz SFZORIXQBLVICG-UHFFFAOYSA-N 1 3 358.530 2.939 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489831654 514994566 /nfs/dbraw/zinc/99/45/66/514994566.db2.gz NYYCQNNFWUCRJO-SVFBPWRDSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489831654 514994578 /nfs/dbraw/zinc/99/45/78/514994578.db2.gz NYYCQNNFWUCRJO-SVFBPWRDSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000489855323 515000830 /nfs/dbraw/zinc/00/08/30/515000830.db2.gz ITWDHVBVNAIJHC-JRGCBEDISA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000489855323 515000836 /nfs/dbraw/zinc/00/08/36/515000836.db2.gz ITWDHVBVNAIJHC-JRGCBEDISA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)N1CCc2ccccc2C1 ZINC000485398410 515025434 /nfs/dbraw/zinc/02/54/34/515025434.db2.gz KPKGCTGPALCGPH-GHTZIAJQSA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)N1CCc2ccccc2C1 ZINC000485398410 515025441 /nfs/dbraw/zinc/02/54/41/515025441.db2.gz KPKGCTGPALCGPH-GHTZIAJQSA-N 1 3 372.557 2.807 20 0 FFADHO O=C(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCCCC1 ZINC000485477205 515054536 /nfs/dbraw/zinc/05/45/36/515054536.db2.gz GAEZQLXAEUTIEK-UHFFFAOYSA-N 1 3 355.526 2.987 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000458756915 515067919 /nfs/dbraw/zinc/06/79/19/515067919.db2.gz XXRJLFHFMIPFIQ-UHFFFAOYSA-N 1 3 364.559 2.838 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000467664858 515073689 /nfs/dbraw/zinc/07/36/89/515073689.db2.gz CDJIDWCFNNXNPX-IBGZPJMESA-N 1 3 361.505 2.982 20 0 FFADHO CC[C@@]1(C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)CCC[NH2+]1 ZINC000467705443 515086320 /nfs/dbraw/zinc/08/63/20/515086320.db2.gz CPTLPJWZJOYHID-QFIPXVFZSA-N 1 3 372.557 2.546 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485618276 515114802 /nfs/dbraw/zinc/11/48/02/515114802.db2.gz GOJGCXRDXPYENL-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485618276 515114812 /nfs/dbraw/zinc/11/48/12/515114812.db2.gz GOJGCXRDXPYENL-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000503690562 515119655 /nfs/dbraw/zinc/11/96/55/515119655.db2.gz PRHNXJGGTNRRPK-LPHOPBHVSA-N 1 3 358.530 2.994 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[NH+]3CCC2CC3)N(C)C)cc1 ZINC000458889623 515175445 /nfs/dbraw/zinc/17/54/45/515175445.db2.gz JPMSBGDSWDLUIQ-SFHVURJKSA-N 1 3 362.543 2.501 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000499056926 515183458 /nfs/dbraw/zinc/18/34/58/515183458.db2.gz RNTLQVMBWMXZTI-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000499056926 515183471 /nfs/dbraw/zinc/18/34/71/515183471.db2.gz RNTLQVMBWMXZTI-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000499056926 515183481 /nfs/dbraw/zinc/18/34/81/515183481.db2.gz RNTLQVMBWMXZTI-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000499056926 515183491 /nfs/dbraw/zinc/18/34/91/515183491.db2.gz RNTLQVMBWMXZTI-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccco1 ZINC000476847424 515217350 /nfs/dbraw/zinc/21/73/50/515217350.db2.gz RLXREYGXMIMJAQ-DLBZAZTESA-N 1 3 350.507 2.884 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000499193129 515231775 /nfs/dbraw/zinc/23/17/75/515231775.db2.gz PLNCEQAIPNBSTA-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000499193129 515231779 /nfs/dbraw/zinc/23/17/79/515231779.db2.gz PLNCEQAIPNBSTA-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccco1 ZINC000509569710 515237141 /nfs/dbraw/zinc/23/71/41/515237141.db2.gz NSJUKAULMLCLGV-HZPDHXFCSA-N 1 3 350.507 2.740 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000499212654 515239591 /nfs/dbraw/zinc/23/95/91/515239591.db2.gz LIPXRLACCWYMMH-NLWGTHIKSA-N 1 3 360.546 2.955 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000499212654 515239596 /nfs/dbraw/zinc/23/95/96/515239596.db2.gz LIPXRLACCWYMMH-NLWGTHIKSA-N 1 3 360.546 2.955 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccco1 ZINC000499211038 515240184 /nfs/dbraw/zinc/24/01/84/515240184.db2.gz MEBCDBUQPCMEKE-BZSNNMDCSA-N 1 3 364.534 2.986 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000499211038 515240194 /nfs/dbraw/zinc/24/01/94/515240194.db2.gz MEBCDBUQPCMEKE-BZSNNMDCSA-N 1 3 364.534 2.986 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)[C@H]2C1 ZINC000458980136 515246393 /nfs/dbraw/zinc/24/63/93/515246393.db2.gz RLQRREBEEXSYAV-PMACEKPBSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)[C@H]2C1 ZINC000458980136 515246400 /nfs/dbraw/zinc/24/64/00/515246400.db2.gz RLQRREBEEXSYAV-PMACEKPBSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(Cc1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1)C1CC1 ZINC000472423064 515264830 /nfs/dbraw/zinc/26/48/30/515264830.db2.gz ARXLZJLBDHIERV-UHFFFAOYSA-N 1 3 373.541 2.636 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000499316582 515282022 /nfs/dbraw/zinc/28/20/22/515282022.db2.gz OYZQGGHFKCMAOH-ZIFCJYIRSA-N 1 3 360.546 2.925 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509686186 515289564 /nfs/dbraw/zinc/28/95/64/515289564.db2.gz YKAGCYFMIARYCY-OAQYLSRUSA-N 1 3 358.574 2.862 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509686186 515289576 /nfs/dbraw/zinc/28/95/76/515289576.db2.gz YKAGCYFMIARYCY-OAQYLSRUSA-N 1 3 358.574 2.862 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000477052013 515303256 /nfs/dbraw/zinc/30/32/56/515303256.db2.gz XGNXYXGQXKAFSS-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000463016659 515334406 /nfs/dbraw/zinc/33/44/06/515334406.db2.gz UYGALHCZDSTRPW-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](C4CCC4)CC3)cc2)CC1 ZINC000456686622 515353151 /nfs/dbraw/zinc/35/31/51/515353151.db2.gz VGBAOCJEDIHKAI-UHFFFAOYSA-N 1 3 370.541 2.575 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000486221456 515385884 /nfs/dbraw/zinc/38/58/84/515385884.db2.gz HLAIUVVNDNHVCX-HXUWFJFHSA-N 1 3 361.530 2.544 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504843268 515390432 /nfs/dbraw/zinc/39/04/32/515390432.db2.gz PFXVUVQHOYOYBK-PMACEKPBSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481703844 515432023 /nfs/dbraw/zinc/43/20/23/515432023.db2.gz LJDKWQHKGOIUQG-QFBILLFUSA-N 1 3 370.607 2.624 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481703844 515432035 /nfs/dbraw/zinc/43/20/35/515432035.db2.gz LJDKWQHKGOIUQG-QFBILLFUSA-N 1 3 370.607 2.624 20 0 FFADHO CC[C@@H]1CCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454463057 515506994 /nfs/dbraw/zinc/50/69/94/515506994.db2.gz UPKMAQYNZUSIOR-SJORKVTESA-N 1 3 350.551 2.671 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)c2ccnc(CN)c2)c2cccs2)CC1 ZINC000463486920 515521301 /nfs/dbraw/zinc/52/13/01/515521301.db2.gz NIDHVKIEKDRQHB-KRWDZBQOSA-N 1 3 358.511 2.805 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000486577583 515546939 /nfs/dbraw/zinc/54/69/39/515546939.db2.gz ARJDTISYARRADM-SYYKKAFVSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000486577583 515546951 /nfs/dbraw/zinc/54/69/51/515546951.db2.gz ARJDTISYARRADM-SYYKKAFVSA-N 1 3 355.526 2.699 20 0 FFADHO C[N@H+](CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000454520487 515550620 /nfs/dbraw/zinc/55/06/20/515550620.db2.gz PHXIQHDUEGXSQR-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000454520487 515550626 /nfs/dbraw/zinc/55/06/26/515550626.db2.gz PHXIQHDUEGXSQR-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000473333287 515580802 /nfs/dbraw/zinc/58/08/02/515580802.db2.gz YUUOOSJYGRDEDC-LNLFQRSKSA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCCCCC1 ZINC000510575476 515592581 /nfs/dbraw/zinc/59/25/81/515592581.db2.gz UAZFOKDYPPMADA-MJGOQNOKSA-N 1 3 350.551 2.837 20 0 FFADHO CN(C(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)[C@H]1CCN(C2CC2)C1 ZINC000463767638 515607965 /nfs/dbraw/zinc/60/79/65/515607965.db2.gz KXELPYQOZAZUKX-UNWVZKJWSA-N 1 3 367.537 2.984 20 0 FFADHO CN(C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)[C@H]1CCN(C2CC2)C1 ZINC000463767638 515607971 /nfs/dbraw/zinc/60/79/71/515607971.db2.gz KXELPYQOZAZUKX-UNWVZKJWSA-N 1 3 367.537 2.984 20 0 FFADHO C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CC(=O)N1Cc1ccccc1 ZINC000459519614 515614223 /nfs/dbraw/zinc/61/42/23/515614223.db2.gz CWTBGNFRUYGAKJ-UTKZUKDTSA-N 1 3 364.493 2.830 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000505691657 515634705 /nfs/dbraw/zinc/63/47/05/515634705.db2.gz JHHHEAFMUSGHFD-UFYCRDLUSA-N 1 3 358.530 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000505691657 515634711 /nfs/dbraw/zinc/63/47/11/515634711.db2.gz JHHHEAFMUSGHFD-UFYCRDLUSA-N 1 3 358.530 2.778 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000457101577 515647044 /nfs/dbraw/zinc/64/70/44/515647044.db2.gz YOTZPEBSAIKYSS-RRFJBIMHSA-N 1 3 363.468 2.836 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000457101577 515647051 /nfs/dbraw/zinc/64/70/51/515647051.db2.gz YOTZPEBSAIKYSS-RRFJBIMHSA-N 1 3 363.468 2.836 20 0 FFADHO CCCc1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN2CC)s1 ZINC000505737616 515651621 /nfs/dbraw/zinc/65/16/21/515651621.db2.gz GRQPEUABMICZSI-INIZCTEOSA-N 1 3 366.575 2.892 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478023494 515669956 /nfs/dbraw/zinc/66/99/56/515669956.db2.gz CWACGFNMFNTFBK-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478023494 515669967 /nfs/dbraw/zinc/66/99/67/515669967.db2.gz CWACGFNMFNTFBK-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)n(C2CC2)c1C ZINC000505787588 515672113 /nfs/dbraw/zinc/67/21/13/515672113.db2.gz CDUQXISXJGGMGY-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)n(C2CC2)c1C ZINC000505787588 515672117 /nfs/dbraw/zinc/67/21/17/515672117.db2.gz CDUQXISXJGGMGY-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncc(Cl)cc1C ZINC000464081548 515704933 /nfs/dbraw/zinc/70/49/33/515704933.db2.gz KSWNIRUPZAXVBE-MRXNPFEDSA-N 1 3 367.925 2.923 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncc(Cl)cc1C ZINC000464081548 515704942 /nfs/dbraw/zinc/70/49/42/515704942.db2.gz KSWNIRUPZAXVBE-MRXNPFEDSA-N 1 3 367.925 2.923 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)CC1 ZINC000459648763 515721370 /nfs/dbraw/zinc/72/13/70/515721370.db2.gz CIHCAPOIDGKOGI-PZJWPPBQSA-N 1 3 355.526 2.829 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)CC1 ZINC000459648763 515721376 /nfs/dbraw/zinc/72/13/76/515721376.db2.gz CIHCAPOIDGKOGI-PZJWPPBQSA-N 1 3 355.526 2.829 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482564717 515721737 /nfs/dbraw/zinc/72/17/37/515721737.db2.gz LGXJCYNMKJCZDY-PWRODBHTSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482564717 515721748 /nfs/dbraw/zinc/72/17/48/515721748.db2.gz LGXJCYNMKJCZDY-PWRODBHTSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482568176 515723445 /nfs/dbraw/zinc/72/34/45/515723445.db2.gz WEKMTUNMBDUYFP-UKRRQHHQSA-N 1 3 357.420 2.943 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000482640963 515748298 /nfs/dbraw/zinc/74/82/98/515748298.db2.gz KGKWQESDVAVDFH-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000500528793 515755403 /nfs/dbraw/zinc/75/54/03/515755403.db2.gz OMOOWXCZEFGGME-MDNKFWRPSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000500528792 515755514 /nfs/dbraw/zinc/75/55/14/515755514.db2.gz OMOOWXCZEFGGME-GSEOLPGOSA-N 1 3 356.514 2.700 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000457369186 515832394 /nfs/dbraw/zinc/83/23/94/515832394.db2.gz BXNJSIXYPBMVCI-LJQANCHMSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000457377630 515836132 /nfs/dbraw/zinc/83/61/32/515836132.db2.gz QEHAWLWZQDMACS-IFMALSPDSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000457377630 515836143 /nfs/dbraw/zinc/83/61/43/515836143.db2.gz QEHAWLWZQDMACS-IFMALSPDSA-N 1 3 370.541 2.951 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000454979621 515872530 /nfs/dbraw/zinc/87/25/30/515872530.db2.gz BIQBFCQCZBITSO-XLIONFOSSA-N 1 3 372.513 2.719 20 0 FFADHO C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CCN(C2CCC2)C1 ZINC000487534585 515895796 /nfs/dbraw/zinc/89/57/96/515895796.db2.gz HELAPKSVQODVJB-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000487551692 515903473 /nfs/dbraw/zinc/90/34/73/515903473.db2.gz VSMUUCHEILYFMD-RXVVDRJESA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000487551692 515903478 /nfs/dbraw/zinc/90/34/78/515903478.db2.gz VSMUUCHEILYFMD-RXVVDRJESA-N 1 3 372.557 2.675 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457514586 515932374 /nfs/dbraw/zinc/93/23/74/515932374.db2.gz OQIDZZQBVUQKSQ-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511522250 515932546 /nfs/dbraw/zinc/93/25/46/515932546.db2.gz RADYQWDPLUWPBW-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511522250 515932556 /nfs/dbraw/zinc/93/25/56/515932556.db2.gz RADYQWDPLUWPBW-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C(C)C)C2CCCC2)[C@H](C)C1 ZINC000469771360 515959148 /nfs/dbraw/zinc/95/91/48/515959148.db2.gz ZVNKUMSKHDMDPH-UYAOXDASSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CN1Cc1ccccc1 ZINC000474296467 515977114 /nfs/dbraw/zinc/97/71/14/515977114.db2.gz WPJLGAPSFWAWJA-HTAPYJJXSA-N 1 3 363.505 2.768 20 0 FFADHO Cc1cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc2cccnc12 ZINC000469861413 516003251 /nfs/dbraw/zinc/00/32/51/516003251.db2.gz WUJGGOUOWPJGCZ-XLIONFOSSA-N 1 3 366.509 2.623 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000501319496 516061168 /nfs/dbraw/zinc/06/11/68/516061168.db2.gz CLVQTOXSBABFHY-KRWDZBQOSA-N 1 3 372.517 2.751 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000501319496 516061177 /nfs/dbraw/zinc/06/11/77/516061177.db2.gz CLVQTOXSBABFHY-KRWDZBQOSA-N 1 3 372.517 2.751 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000470000520 516071504 /nfs/dbraw/zinc/07/15/04/516071504.db2.gz SBCUKTOLNGBFLP-SFHVURJKSA-N 1 3 368.481 2.812 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000511901453 516074265 /nfs/dbraw/zinc/07/42/65/516074265.db2.gz PHFBCHAAUZVPKG-UFYCRDLUSA-N 1 3 373.545 2.590 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000511901453 516074274 /nfs/dbraw/zinc/07/42/74/516074274.db2.gz PHFBCHAAUZVPKG-UFYCRDLUSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000474516914 516079137 /nfs/dbraw/zinc/07/91/37/516079137.db2.gz HHYSCZYSHMBWQF-MAKTXDPSSA-N 1 3 370.541 2.966 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000457700967 516079587 /nfs/dbraw/zinc/07/95/87/516079587.db2.gz UOQOBIUTYAADJW-LEWJYISDSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000457700967 516079597 /nfs/dbraw/zinc/07/95/97/516079597.db2.gz UOQOBIUTYAADJW-LEWJYISDSA-N 1 3 372.557 2.947 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000465154531 516080301 /nfs/dbraw/zinc/08/03/01/516080301.db2.gz JAWHIQMHABTQFI-KRWDZBQOSA-N 1 3 362.518 2.726 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000465154531 516080310 /nfs/dbraw/zinc/08/03/10/516080310.db2.gz JAWHIQMHABTQFI-KRWDZBQOSA-N 1 3 362.518 2.726 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N(C)C1CC1 ZINC000460256760 516088192 /nfs/dbraw/zinc/08/81/92/516088192.db2.gz ILRRJJDCPHEQAT-HOJAQTOUSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N(C)C1CC1 ZINC000460256760 516088205 /nfs/dbraw/zinc/08/82/05/516088205.db2.gz ILRRJJDCPHEQAT-HOJAQTOUSA-N 1 3 370.541 2.633 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000501410729 516096630 /nfs/dbraw/zinc/09/66/30/516096630.db2.gz ZSBJURZVKVFSKL-HBMCJLEFSA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000501410729 516096640 /nfs/dbraw/zinc/09/66/40/516096640.db2.gz ZSBJURZVKVFSKL-HBMCJLEFSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000479189469 516096895 /nfs/dbraw/zinc/09/68/95/516096895.db2.gz QMTCATCOWZNSME-HXUWFJFHSA-N 1 3 369.484 2.821 20 0 FFADHO NC[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000479202059 516106088 /nfs/dbraw/zinc/10/60/88/516106088.db2.gz ACMVRLHNPXLSPI-FQEVSTJZSA-N 1 3 361.505 2.983 20 0 FFADHO NC[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000479202059 516106092 /nfs/dbraw/zinc/10/60/92/516106092.db2.gz ACMVRLHNPXLSPI-FQEVSTJZSA-N 1 3 361.505 2.983 20 0 FFADHO NC[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000479230650 516119557 /nfs/dbraw/zinc/11/95/57/516119557.db2.gz VMQLOQVMSLHOAH-OAQYLSRUSA-N 1 3 369.484 2.691 20 0 FFADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501530688 516142230 /nfs/dbraw/zinc/14/22/30/516142230.db2.gz CJSYDMMPBZHRJK-IAGOWNOFSA-N 1 3 362.518 2.869 20 0 FFADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000501530688 516142239 /nfs/dbraw/zinc/14/22/39/516142239.db2.gz CJSYDMMPBZHRJK-IAGOWNOFSA-N 1 3 362.518 2.869 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465429473 516148367 /nfs/dbraw/zinc/14/83/67/516148367.db2.gz XAXFADMCOULYCU-LEWJYISDSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465429473 516148376 /nfs/dbraw/zinc/14/83/76/516148376.db2.gz XAXFADMCOULYCU-LEWJYISDSA-N 1 3 370.541 2.825 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457804734 516158930 /nfs/dbraw/zinc/15/89/30/516158930.db2.gz UNDGGTZSYRDXEH-PMACEKPBSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457804734 516158941 /nfs/dbraw/zinc/15/89/41/516158941.db2.gz UNDGGTZSYRDXEH-PMACEKPBSA-N 1 3 358.530 2.775 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000465524216 516179254 /nfs/dbraw/zinc/17/92/54/516179254.db2.gz JDHXWIGWQJBPNA-WOJBJXKFSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000465524216 516179265 /nfs/dbraw/zinc/17/92/65/516179265.db2.gz JDHXWIGWQJBPNA-WOJBJXKFSA-N 1 3 358.530 2.607 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000470236203 516181672 /nfs/dbraw/zinc/18/16/72/516181672.db2.gz DLKGSGVDFJQAAD-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000470236203 516181685 /nfs/dbraw/zinc/18/16/85/516181685.db2.gz DLKGSGVDFJQAAD-LEWJYISDSA-N 1 3 355.526 2.841 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000465538050 516185497 /nfs/dbraw/zinc/18/54/97/516185497.db2.gz HYBSFKQPXNHZKP-NSISKUIASA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000465538050 516185507 /nfs/dbraw/zinc/18/55/07/516185507.db2.gz HYBSFKQPXNHZKP-NSISKUIASA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483720809 516189219 /nfs/dbraw/zinc/18/92/19/516189219.db2.gz KQUJVRGMHSFMAU-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483720809 516189224 /nfs/dbraw/zinc/18/92/24/516189224.db2.gz KQUJVRGMHSFMAU-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000465583264 516202643 /nfs/dbraw/zinc/20/26/43/516202643.db2.gz UOZMAWHFZCRWAC-YLJYHZDGSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000465583264 516202648 /nfs/dbraw/zinc/20/26/48/516202648.db2.gz UOZMAWHFZCRWAC-YLJYHZDGSA-N 1 3 358.530 2.741 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCCC[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000465623647 516213392 /nfs/dbraw/zinc/21/33/92/516213392.db2.gz DRVICIUIOHPXKD-WMZOPIPTSA-N 1 3 364.559 2.916 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000507494411 516223375 /nfs/dbraw/zinc/22/33/75/516223375.db2.gz JMGNFPNVXYKNTK-UNMCSNQZSA-N 1 3 359.558 2.989 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000488448073 516227197 /nfs/dbraw/zinc/22/71/97/516227197.db2.gz YQALGAVRHFZEFM-ZWKOTPCHSA-N 1 3 363.571 2.988 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000465745786 516246766 /nfs/dbraw/zinc/24/67/66/516246766.db2.gz GHEIKBGSOORAPD-GBESFXJTSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000465745786 516246773 /nfs/dbraw/zinc/24/67/73/516246773.db2.gz GHEIKBGSOORAPD-GBESFXJTSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000501913637 516264808 /nfs/dbraw/zinc/26/48/08/516264808.db2.gz KPMJYRLPAGHHHC-VQIMIIECSA-N 1 3 364.509 2.992 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCCN1C ZINC000460879536 516274307 /nfs/dbraw/zinc/27/43/07/516274307.db2.gz IZISZMMBSZZYAQ-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCCN1C ZINC000460879536 516274313 /nfs/dbraw/zinc/27/43/13/516274313.db2.gz IZISZMMBSZZYAQ-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000497613450 516328015 /nfs/dbraw/zinc/32/80/15/516328015.db2.gz RVARNASNTPGOPU-QFBILLFUSA-N 1 3 360.546 2.709 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C1 ZINC000497623943 516328295 /nfs/dbraw/zinc/32/82/95/516328295.db2.gz PRVXKTISSBLNDN-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C1 ZINC000497623943 516328296 /nfs/dbraw/zinc/32/82/96/516328296.db2.gz PRVXKTISSBLNDN-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000561058400 516356197 /nfs/dbraw/zinc/35/61/97/516356197.db2.gz HTBIOOKTXLHMHB-UHFFFAOYSA-N 1 3 373.497 2.593 20 0 FFADHO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000561061948 516357185 /nfs/dbraw/zinc/35/71/85/516357185.db2.gz AXAPUVVLDKCZCO-UHFFFAOYSA-N 1 3 360.502 2.898 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000554401779 516422211 /nfs/dbraw/zinc/42/22/11/516422211.db2.gz QVOTWBXVHSNJGZ-JWTNVVGKSA-N 1 3 360.502 2.716 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000554401779 516422219 /nfs/dbraw/zinc/42/22/19/516422219.db2.gz QVOTWBXVHSNJGZ-JWTNVVGKSA-N 1 3 360.502 2.716 20 0 FFADHO CC(C)(C)N1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000531377710 516438311 /nfs/dbraw/zinc/43/83/11/516438311.db2.gz HYWBQLCHVYYAPK-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO COc1cc(Cl)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000517753696 516438310 /nfs/dbraw/zinc/43/83/10/516438310.db2.gz SYBJGHZZWYSYCY-UHFFFAOYSA-N 1 3 365.905 2.637 20 0 FFADHO NC[C@@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc2ccccc2c1 ZINC000561215079 516456474 /nfs/dbraw/zinc/45/64/74/516456474.db2.gz YUUZDEBNQQPEBR-TZIWHRDSSA-N 1 3 352.482 2.625 20 0 FFADHO NC[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc2ccccc2c1 ZINC000561215078 516456723 /nfs/dbraw/zinc/45/67/23/516456723.db2.gz YUUZDEBNQQPEBR-PZJWPPBQSA-N 1 3 352.482 2.625 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523397444 516460102 /nfs/dbraw/zinc/46/01/02/516460102.db2.gz LAGIPMQXFFBRMD-NHCUHLMSSA-N 1 3 370.541 2.771 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523397445 516460625 /nfs/dbraw/zinc/46/06/25/516460625.db2.gz LAGIPMQXFFBRMD-RTWAWAEBSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550883301 516466301 /nfs/dbraw/zinc/46/63/01/516466301.db2.gz YEMBMNWOYQICGJ-TZIWHRDSSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@H](Cn1cccn1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883301 516466310 /nfs/dbraw/zinc/46/63/10/516466310.db2.gz YEMBMNWOYQICGJ-TZIWHRDSSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@H](Cn1cccn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883301 516466321 /nfs/dbraw/zinc/46/63/21/516466321.db2.gz YEMBMNWOYQICGJ-TZIWHRDSSA-N 1 3 368.525 2.790 20 0 FFADHO Oc1cccc2c1CCC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000550887527 516468150 /nfs/dbraw/zinc/46/81/50/516468150.db2.gz XMRQJCDWUMRIMQ-OAQYLSRUSA-N 1 3 366.509 2.967 20 0 FFADHO C[NH+](C)CC1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000517875773 516476287 /nfs/dbraw/zinc/47/62/87/516476287.db2.gz BFUNFPNBHCVATL-INIZCTEOSA-N 1 3 360.420 2.719 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547736360 516529266 /nfs/dbraw/zinc/52/92/66/516529266.db2.gz FSIJGKOPMSTVCI-UHFFFAOYSA-N 1 3 361.530 2.937 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547736360 516529275 /nfs/dbraw/zinc/52/92/75/516529275.db2.gz FSIJGKOPMSTVCI-UHFFFAOYSA-N 1 3 361.530 2.937 20 0 FFADHO CCC[NH+]1CCC(NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000531677760 516591834 /nfs/dbraw/zinc/59/18/34/516591834.db2.gz XLJUJDPKYXZPRN-SFHVURJKSA-N 1 3 350.576 2.501 20 0 FFADHO CCCN1CCC([NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000531677760 516591843 /nfs/dbraw/zinc/59/18/43/516591843.db2.gz XLJUJDPKYXZPRN-SFHVURJKSA-N 1 3 350.576 2.501 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCCN(C)CC2)[NH+](C)C)cc1 ZINC000513390168 516600190 /nfs/dbraw/zinc/60/01/90/516600190.db2.gz MTMTUSUKVGPAQN-HXUWFJFHSA-N 1 3 360.546 2.835 20 0 FFADHO COCCn1cc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000513495748 516651629 /nfs/dbraw/zinc/65/16/29/516651629.db2.gz UPWLFYIUZWFJND-AZUAARDMSA-N 1 3 356.514 2.920 20 0 FFADHO COCCn1cc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513495748 516651637 /nfs/dbraw/zinc/65/16/37/516651637.db2.gz UPWLFYIUZWFJND-AZUAARDMSA-N 1 3 356.514 2.920 20 0 FFADHO COCCn1cc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000513495750 516651942 /nfs/dbraw/zinc/65/19/42/516651942.db2.gz UPWLFYIUZWFJND-QUCCMNQESA-N 1 3 356.514 2.920 20 0 FFADHO COCCn1cc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513495750 516651949 /nfs/dbraw/zinc/65/19/49/516651949.db2.gz UPWLFYIUZWFJND-QUCCMNQESA-N 1 3 356.514 2.920 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000524156295 516656334 /nfs/dbraw/zinc/65/63/34/516656334.db2.gz MXXSDYDGEXNIRW-UHFFFAOYSA-N 1 3 357.498 2.725 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000524156295 516656344 /nfs/dbraw/zinc/65/63/44/516656344.db2.gz MXXSDYDGEXNIRW-UHFFFAOYSA-N 1 3 357.498 2.725 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000536234789 516690906 /nfs/dbraw/zinc/69/09/06/516690906.db2.gz VGZXRPDZWFGBDZ-UXHICEINSA-N 1 3 358.530 2.996 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000536234789 516690918 /nfs/dbraw/zinc/69/09/18/516690918.db2.gz VGZXRPDZWFGBDZ-UXHICEINSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000561686137 516715338 /nfs/dbraw/zinc/71/53/38/516715338.db2.gz SYSGCILDFRRDEA-BTHPGYMESA-N 1 3 356.514 2.700 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000531955441 516730513 /nfs/dbraw/zinc/73/05/13/516730513.db2.gz FDUMWPWKGAIPDF-CQSZACIVSA-N 1 3 351.516 2.583 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000561881909 516815010 /nfs/dbraw/zinc/81/50/10/516815010.db2.gz DIFAZNULDXDLAO-UHFFFAOYSA-N 1 3 369.513 2.510 20 0 FFADHO CC[N@H+](CCC1CCN(C[C@H]2CCCS(=O)(=O)C2)CC1)CC1CC1 ZINC000551702772 516830659 /nfs/dbraw/zinc/83/06/59/516830659.db2.gz VRZXECSCEXFIIJ-LJQANCHMSA-N 1 3 356.576 2.645 20 0 FFADHO CC[N@@H+](CCC1CCN(C[C@H]2CCCS(=O)(=O)C2)CC1)CC1CC1 ZINC000551702772 516830671 /nfs/dbraw/zinc/83/06/71/516830671.db2.gz VRZXECSCEXFIIJ-LJQANCHMSA-N 1 3 356.576 2.645 20 0 FFADHO CC(C)c1ccc(C[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000536592709 516840630 /nfs/dbraw/zinc/84/06/30/516840630.db2.gz RKLIUQRGZDIUJX-SFHVURJKSA-N 1 3 362.562 2.876 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3ccccn3)CC2)CC1 ZINC000518997172 516849576 /nfs/dbraw/zinc/84/95/76/516849576.db2.gz OUZWGHUDTNTELS-QGZVFWFLSA-N 1 3 358.530 2.797 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(F)c1 ZINC000536625771 516860019 /nfs/dbraw/zinc/86/00/19/516860019.db2.gz QFKQFCWTFQWZRF-OAHLLOKOSA-N 1 3 357.901 2.520 20 0 FFADHO Cc1ccccc1C[C@@H]1CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000514186130 516894085 /nfs/dbraw/zinc/89/40/85/516894085.db2.gz NEGAYYJBIQGYHB-NRFANRHFSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000514201694 516901270 /nfs/dbraw/zinc/90/12/70/516901270.db2.gz LBOPVYACEHZICA-QUCCMNQESA-N 1 3 374.573 2.969 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000514201694 516901281 /nfs/dbraw/zinc/90/12/81/516901281.db2.gz LBOPVYACEHZICA-QUCCMNQESA-N 1 3 374.573 2.969 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000532315361 516905868 /nfs/dbraw/zinc/90/58/68/516905868.db2.gz FMRGWWRUKBFXQC-DFQSSKMNSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000532315361 516905881 /nfs/dbraw/zinc/90/58/81/516905881.db2.gz FMRGWWRUKBFXQC-DFQSSKMNSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514242421 516923088 /nfs/dbraw/zinc/92/30/88/516923088.db2.gz RTHIGUOWAJJANE-GGPKGHCWSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514242421 516923098 /nfs/dbraw/zinc/92/30/98/516923098.db2.gz RTHIGUOWAJJANE-GGPKGHCWSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2ccccc2OCC[NH+](C)C)N(C)C)cc1 ZINC000519286873 516948495 /nfs/dbraw/zinc/94/84/95/516948495.db2.gz IQMBZCRMVYUHNT-HXUWFJFHSA-N 1 3 369.509 2.968 20 0 FFADHO Cc1cccc(C)c1OC[C@H](O)CNCc1ccc(CC[NH+](C)C)cc1 ZINC000514597597 516955567 /nfs/dbraw/zinc/95/55/67/516955567.db2.gz TYFABVPAJYAXRL-OAQYLSRUSA-N 1 3 356.510 2.937 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CNCc1c(Cl)cccc1N1CCOCC1 ZINC000555563708 516981514 /nfs/dbraw/zinc/98/15/14/516981514.db2.gz PYEOJJFMGKZIFT-MRXNPFEDSA-N 1 3 369.937 2.623 20 0 FFADHO Cc1ccc(SC[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000548434938 516983158 /nfs/dbraw/zinc/98/31/58/516983158.db2.gz MEPMBIYREPNPFN-KRWDZBQOSA-N 1 3 366.575 2.610 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000562294811 517013513 /nfs/dbraw/zinc/01/35/13/517013513.db2.gz LBGYETRVSDFYSC-MISYRCLQSA-N 1 3 373.545 2.560 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000562294811 517013523 /nfs/dbraw/zinc/01/35/23/517013523.db2.gz LBGYETRVSDFYSC-MISYRCLQSA-N 1 3 373.545 2.560 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000514737752 517032565 /nfs/dbraw/zinc/03/25/65/517032565.db2.gz XGTQHBINDIUKRJ-LXZKKBNFSA-N 1 3 369.431 2.913 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000525437612 517039896 /nfs/dbraw/zinc/03/98/96/517039896.db2.gz UQWMFBVEDNPXEG-NHCUHLMSSA-N 1 3 374.573 2.923 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529358498 517100567 /nfs/dbraw/zinc/10/05/67/517100567.db2.gz TYYIAGWSZWVEFY-IBGZPJMESA-N 1 3 371.529 2.614 20 0 FFADHO CCC1(CC)[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C[C@@H]1OC ZINC000537293148 517129729 /nfs/dbraw/zinc/12/97/29/517129729.db2.gz WEQCVSYXIBCTMV-UXHICEINSA-N 1 3 360.546 2.777 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552251415 517163394 /nfs/dbraw/zinc/16/33/94/517163394.db2.gz WGWJFLJIIVDKCX-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552251415 517163406 /nfs/dbraw/zinc/16/34/06/517163406.db2.gz WGWJFLJIIVDKCX-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552251415 517163415 /nfs/dbraw/zinc/16/34/15/517163415.db2.gz WGWJFLJIIVDKCX-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000519773072 517175178 /nfs/dbraw/zinc/17/51/78/517175178.db2.gz UJKDGHVZKRDIIJ-LVCYWYKZSA-N 1 3 355.526 2.986 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000519773072 517175190 /nfs/dbraw/zinc/17/51/90/517175190.db2.gz UJKDGHVZKRDIIJ-LVCYWYKZSA-N 1 3 355.526 2.986 20 0 FFADHO C[C@@H](CCNC(=O)CCN(C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000541855186 517252683 /nfs/dbraw/zinc/25/26/83/517252683.db2.gz CALKSEZQNABAJQ-SFHVURJKSA-N 1 3 354.498 2.935 20 0 FFADHO C[C@@H](CCNC(=O)CCN(C)c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000541855186 517252693 /nfs/dbraw/zinc/25/26/93/517252693.db2.gz CALKSEZQNABAJQ-SFHVURJKSA-N 1 3 354.498 2.935 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515234563 517265075 /nfs/dbraw/zinc/26/50/75/517265075.db2.gz JWZWDHJNKYLOET-MJGOQNOKSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515234563 517265082 /nfs/dbraw/zinc/26/50/82/517265082.db2.gz JWZWDHJNKYLOET-MJGOQNOKSA-N 1 3 354.922 2.785 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2ccccc2s1 ZINC000526109234 517347223 /nfs/dbraw/zinc/34/72/23/517347223.db2.gz CTHYISSQYHJNOE-QGZVFWFLSA-N 1 3 361.555 2.942 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000515580712 517410958 /nfs/dbraw/zinc/41/09/58/517410958.db2.gz DMYJLFNBYLGSOD-WIYYLYMNSA-N 1 3 371.525 2.846 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000515580712 517410971 /nfs/dbraw/zinc/41/09/71/517410971.db2.gz DMYJLFNBYLGSOD-WIYYLYMNSA-N 1 3 371.525 2.846 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000559753752 517412053 /nfs/dbraw/zinc/41/20/53/517412053.db2.gz RRDUMYQLYQHRQC-XPNTWCBSSA-N 1 3 372.601 2.903 20 0 FFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000537953381 517415685 /nfs/dbraw/zinc/41/56/85/517415685.db2.gz QSRMTMFUPMLCHF-QFBILLFUSA-N 1 3 356.576 2.834 20 0 FFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000537953381 517415692 /nfs/dbraw/zinc/41/56/92/517415692.db2.gz QSRMTMFUPMLCHF-QFBILLFUSA-N 1 3 356.576 2.834 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@@H](C)C1 ZINC000537992239 517426236 /nfs/dbraw/zinc/42/62/36/517426236.db2.gz WESVSUADYAOJAR-UWJYYQICSA-N 1 3 373.541 2.805 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000520546122 517429140 /nfs/dbraw/zinc/42/91/40/517429140.db2.gz LQHYYZOUWJYTFA-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000520607978 517453316 /nfs/dbraw/zinc/45/33/16/517453316.db2.gz NKDHKGRAOVHKFB-MMKMLUHNSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000520607978 517453322 /nfs/dbraw/zinc/45/33/22/517453322.db2.gz NKDHKGRAOVHKFB-MMKMLUHNSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515840252 517492417 /nfs/dbraw/zinc/49/24/17/517492417.db2.gz IOGOPJUNXVOMJH-MDKPJZGXSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000515840252 517492426 /nfs/dbraw/zinc/49/24/26/517492426.db2.gz IOGOPJUNXVOMJH-MDKPJZGXSA-N 1 3 370.541 2.907 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC3CC[NH+](C4CCC4)CC3)c2cc1C ZINC000562998182 517571404 /nfs/dbraw/zinc/57/14/04/517571404.db2.gz BNABEWUIMNDACO-LJQANCHMSA-N 1 3 356.514 2.621 20 0 FFADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1CC1 ZINC000563010629 517581915 /nfs/dbraw/zinc/58/19/15/517581915.db2.gz HXDKPUCPZJHTBX-FRFSOERESA-N 1 3 353.304 2.740 20 0 FFADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1CC1 ZINC000563010629 517581919 /nfs/dbraw/zinc/58/19/19/517581919.db2.gz HXDKPUCPZJHTBX-FRFSOERESA-N 1 3 353.304 2.740 20 0 FFADHO CSC1(CNC(=O)Nc2ccccc2CCN(C)C)CC[NH+](C)CC1 ZINC000516189106 517610529 /nfs/dbraw/zinc/61/05/29/517610529.db2.gz IPHDOYONJYTTKI-UHFFFAOYSA-N 1 3 364.559 2.740 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000563068812 517633604 /nfs/dbraw/zinc/63/36/04/517633604.db2.gz QEQASLVEZYLBBH-RBUKOAKNSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000563068812 517633609 /nfs/dbraw/zinc/63/36/09/517633609.db2.gz QEQASLVEZYLBBH-RBUKOAKNSA-N 1 3 367.578 2.702 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000553335501 517651720 /nfs/dbraw/zinc/65/17/20/517651720.db2.gz FIYWVVSSLGZZFJ-UHFFFAOYSA-N 1 3 369.509 2.661 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247691 517653344 /nfs/dbraw/zinc/65/33/44/517653344.db2.gz CBPDAFYXLHZRSC-FQEVSTJZSA-N 1 3 370.497 2.676 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000521271353 517677300 /nfs/dbraw/zinc/67/73/00/517677300.db2.gz GSRUQKLSAYPMJO-CWRNSKLLSA-N 1 3 355.320 2.768 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000521271353 517677309 /nfs/dbraw/zinc/67/73/09/517677309.db2.gz GSRUQKLSAYPMJO-CWRNSKLLSA-N 1 3 355.320 2.768 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCc2cc(F)ccc21 ZINC000538589992 517681613 /nfs/dbraw/zinc/68/16/13/517681613.db2.gz VEZLVOHOKDYESO-SFTDATJTSA-N 1 3 369.484 2.692 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccc(N(C)C)c1 ZINC000527453628 517684305 /nfs/dbraw/zinc/68/43/05/517684305.db2.gz ARNSLVHWQJEBQT-OAQYLSRUSA-N 1 3 374.573 2.560 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccc(N(C)C)c1 ZINC000527453628 517684317 /nfs/dbraw/zinc/68/43/17/517684317.db2.gz ARNSLVHWQJEBQT-OAQYLSRUSA-N 1 3 374.573 2.560 20 0 FFADHO COc1cc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccn1 ZINC000563418549 517891070 /nfs/dbraw/zinc/89/10/70/517891070.db2.gz PDWQAPIHTWSFDY-KRWDZBQOSA-N 1 3 355.482 2.768 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1 ZINC000516886977 517893260 /nfs/dbraw/zinc/89/32/60/517893260.db2.gz IRYDMGFWOZSMGA-UHFFFAOYSA-N 1 3 360.546 2.800 20 0 FFADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000539062793 517900105 /nfs/dbraw/zinc/90/01/05/517900105.db2.gz DUJHXVTWOISRJJ-DQLDELGASA-N 1 3 354.498 2.901 20 0 FFADHO C[C@H](O)C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000516921754 517916818 /nfs/dbraw/zinc/91/68/18/517916818.db2.gz KEDDWAVWEIUJHO-HNNXBMFYSA-N 1 3 359.436 2.578 20 0 FFADHO C[C@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[C@H]1C[NH3+] ZINC000557231752 517927923 /nfs/dbraw/zinc/92/79/23/517927923.db2.gz AHQONCSXTMFPCE-PKOBYXMFSA-N 1 3 358.530 2.667 20 0 FFADHO CCS(=O)(=O)C[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000539298466 517983645 /nfs/dbraw/zinc/98/36/45/517983645.db2.gz RHPNYOSNQSIBMG-JENIJYKNSA-N 1 3 352.544 2.700 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000563561196 517984821 /nfs/dbraw/zinc/98/48/21/517984821.db2.gz ZYPRFLSDIBGHHH-QGZVFWFLSA-N 1 3 364.559 2.731 20 0 FFADHO CC(C)[NH+]1CCC(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000560729794 517991253 /nfs/dbraw/zinc/99/12/53/517991253.db2.gz OPFSTTBEYDYOLV-QHCPKHFHSA-N 1 3 370.585 2.751 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@H]1c1cccs1 ZINC000563581602 517997268 /nfs/dbraw/zinc/99/72/68/517997268.db2.gz RNJRATPSBHFLEI-ANQUJSFKSA-N 1 3 350.532 2.558 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000563588189 518002594 /nfs/dbraw/zinc/00/25/94/518002594.db2.gz NDZZSQDPEPBFMN-PIKOESSRSA-N 1 3 358.530 2.727 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3CC(c4cccc(F)c4)C3)CC2)CC1 ZINC000522222809 518039923 /nfs/dbraw/zinc/03/99/23/518039923.db2.gz RSTSALGQRSTILB-UHFFFAOYSA-N 1 3 373.516 2.994 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccc(F)cc1 ZINC000563641119 518041181 /nfs/dbraw/zinc/04/11/81/518041181.db2.gz PDWPXNBURQHBPP-SFHVURJKSA-N 1 3 364.509 2.992 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000522276796 518059410 /nfs/dbraw/zinc/05/94/10/518059410.db2.gz QKVIMACNMFNPBU-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO C[N@H+](CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CCCC1 ZINC000522276224 518059923 /nfs/dbraw/zinc/05/99/23/518059923.db2.gz VVWIJSOUCRRPSB-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CCCC1 ZINC000522276224 518059932 /nfs/dbraw/zinc/05/99/32/518059932.db2.gz VVWIJSOUCRRPSB-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000530966619 518074477 /nfs/dbraw/zinc/07/44/77/518074477.db2.gz YANOINDXRWNFJL-ROUUACIJSA-N 1 3 358.530 2.986 20 0 FFADHO C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C[C@H]1C[NH3+] ZINC000563693382 518074819 /nfs/dbraw/zinc/07/48/19/518074819.db2.gz WNYRAFQCCFGGGR-YLJYHZDGSA-N 1 3 358.530 2.799 20 0 FFADHO N[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000517233989 518081794 /nfs/dbraw/zinc/08/17/94/518081794.db2.gz MWHPBQBSMKWCCE-FGZHOGPDSA-N 1 3 365.521 2.627 20 0 FFADHO N[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000517233989 518081805 /nfs/dbraw/zinc/08/18/05/518081805.db2.gz MWHPBQBSMKWCCE-FGZHOGPDSA-N 1 3 365.521 2.627 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000560912656 518085046 /nfs/dbraw/zinc/08/50/46/518085046.db2.gz VRLKKFJGVGAQTL-ICSRJNTNSA-N 1 3 370.541 3.373 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000560912656 518085058 /nfs/dbraw/zinc/08/50/58/518085058.db2.gz VRLKKFJGVGAQTL-ICSRJNTNSA-N 1 3 370.541 3.373 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000543437442 518090469 /nfs/dbraw/zinc/09/04/69/518090469.db2.gz JBKWYELZNLMOMS-KZNAEPCWSA-N 1 3 367.578 2.891 20 0 FFADHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc(OC)c1OCC(F)F ZINC000563747960 518104293 /nfs/dbraw/zinc/10/42/93/518104293.db2.gz RSSNGGUQGQWWDD-ZDUSSCGKSA-N 1 3 358.429 2.779 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000517273399 518104655 /nfs/dbraw/zinc/10/46/55/518104655.db2.gz NKQMKDQZCXMTDM-XLIONFOSSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000517273399 518104666 /nfs/dbraw/zinc/10/46/66/518104666.db2.gz NKQMKDQZCXMTDM-XLIONFOSSA-N 1 3 361.530 2.615 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000522429366 518105733 /nfs/dbraw/zinc/10/57/33/518105733.db2.gz UFOOSYZBEVVLKO-NSHGMRRFSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000522429366 518105742 /nfs/dbraw/zinc/10/57/42/518105742.db2.gz UFOOSYZBEVVLKO-NSHGMRRFSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000517367371 518130821 /nfs/dbraw/zinc/13/08/21/518130821.db2.gz JUIZLBFHIDWJEX-TXPKVOOTSA-N 1 3 360.546 2.884 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000578461418 518220959 /nfs/dbraw/zinc/22/09/59/518220959.db2.gz HMXOAJSDHSTAJS-MISYRCLQSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000563916856 518227824 /nfs/dbraw/zinc/22/78/24/518227824.db2.gz WHPGJGGGAKEIMT-PMACEKPBSA-N 1 3 358.530 2.626 20 0 FFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000563916856 518227831 /nfs/dbraw/zinc/22/78/31/518227831.db2.gz WHPGJGGGAKEIMT-PMACEKPBSA-N 1 3 358.530 2.626 20 0 FFADHO O=C(CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCCC1 ZINC000578518588 518247966 /nfs/dbraw/zinc/24/79/66/518247966.db2.gz XZVQMUQQLFIFFH-RXVVDRJESA-N 1 3 357.498 2.625 20 0 FFADHO CCOc1ccc(OC[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000572631773 518286090 /nfs/dbraw/zinc/28/60/90/518286090.db2.gz GJOUMAQUYKBQSO-LJQANCHMSA-N 1 3 362.514 2.822 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000569792096 518293583 /nfs/dbraw/zinc/29/35/83/518293583.db2.gz WNBNHGPXUIREGT-QGZVFWFLSA-N 1 3 370.472 2.766 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(CC[NH+](C)C)cc2)o1 ZINC000566981837 518296463 /nfs/dbraw/zinc/29/64/63/518296463.db2.gz OLEORXCHNOQNSD-UHFFFAOYSA-N 1 3 357.498 2.896 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000567039562 518323314 /nfs/dbraw/zinc/32/33/14/518323314.db2.gz XJYZGIRQPFKWMP-RTWAWAEBSA-N 1 3 372.557 2.930 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000567039562 518323321 /nfs/dbraw/zinc/32/33/21/518323321.db2.gz XJYZGIRQPFKWMP-RTWAWAEBSA-N 1 3 372.557 2.930 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccc(F)cc1C ZINC000584411571 518328440 /nfs/dbraw/zinc/32/84/40/518328440.db2.gz QHVSQVHGIZRDEA-FFGOWVMKSA-N 1 3 361.505 2.501 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccc(F)cc1C ZINC000584411571 518328445 /nfs/dbraw/zinc/32/84/45/518328445.db2.gz QHVSQVHGIZRDEA-FFGOWVMKSA-N 1 3 361.505 2.501 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000569879510 518335482 /nfs/dbraw/zinc/33/54/82/518335482.db2.gz OSXNJBHITFPXEL-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C(C)C)N(C)C)C2)s1 ZINC000567116165 518360557 /nfs/dbraw/zinc/36/05/57/518360557.db2.gz RZUQOSYTGFZABK-AEFFLSMTSA-N 1 3 351.560 2.923 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C(C)C)N(C)C)C2)s1 ZINC000567116165 518360563 /nfs/dbraw/zinc/36/05/63/518360563.db2.gz RZUQOSYTGFZABK-AEFFLSMTSA-N 1 3 351.560 2.923 20 0 FFADHO C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160573 518381384 /nfs/dbraw/zinc/38/13/84/518381384.db2.gz OUJIVCNRCWGEIB-DOXZYTNZSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@H](OC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160573 518381389 /nfs/dbraw/zinc/38/13/89/518381389.db2.gz OUJIVCNRCWGEIB-DOXZYTNZSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@H](OC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160573 518381396 /nfs/dbraw/zinc/38/13/96/518381396.db2.gz OUJIVCNRCWGEIB-DOXZYTNZSA-N 1 3 352.906 2.852 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000581657888 518393461 /nfs/dbraw/zinc/39/34/61/518393461.db2.gz VZSKHUUSFRSSIN-CEMLEFRQSA-N 1 3 358.574 2.685 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COc4ccc(C)cc43)CC2)CC1 ZINC000581674915 518402211 /nfs/dbraw/zinc/40/22/11/518402211.db2.gz CHFYALYJQHBBPH-HXUWFJFHSA-N 1 3 371.525 2.741 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000578863852 518411306 /nfs/dbraw/zinc/41/13/06/518411306.db2.gz AECCLKPKTQATTO-GGPKGHCWSA-N 1 3 358.530 2.728 20 0 FFADHO CCN(CC(O)C[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000564396480 518432344 /nfs/dbraw/zinc/43/23/44/518432344.db2.gz RZDXKLSWZTZBFY-QZTJIDSGSA-N 1 3 370.578 2.906 20 0 FFADHO CCN(CC(O)C[N@@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000564396480 518432349 /nfs/dbraw/zinc/43/23/49/518432349.db2.gz RZDXKLSWZTZBFY-QZTJIDSGSA-N 1 3 370.578 2.906 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581776130 518449101 /nfs/dbraw/zinc/44/91/01/518449101.db2.gz HZJCDXPAAGNSKW-WTGUMLROSA-N 1 3 356.514 2.511 20 0 FFADHO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000567314729 518460135 /nfs/dbraw/zinc/46/01/35/518460135.db2.gz RRWNBFJXDSYRCE-FFZOFVMBSA-N 1 3 367.484 2.533 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(OC)cc3C)CC2)CC1 ZINC000581833248 518460356 /nfs/dbraw/zinc/46/03/56/518460356.db2.gz HGUCXBWOUWRWHA-UHFFFAOYSA-N 1 3 373.541 2.816 20 0 FFADHO Cc1ccc(-c2noc([C@H](C)N3CCN(CC[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000564458912 518460927 /nfs/dbraw/zinc/46/09/27/518460927.db2.gz WZSDWJYZZWRSSE-ZWKOTPCHSA-N 1 3 369.513 2.723 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c2cccs2)CC1 ZINC000567336234 518469778 /nfs/dbraw/zinc/46/97/78/518469778.db2.gz JJPAIQHJUPQYLL-YESZJQIVSA-N 1 3 364.559 2.961 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)c2ccccc2)CC1 ZINC000576211623 518481719 /nfs/dbraw/zinc/48/17/19/518481719.db2.gz PDPWBMZNZCJOMG-LJQANCHMSA-N 1 3 358.530 2.901 20 0 FFADHO CN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)[C@@H]1c1ccccc1 ZINC000570182636 518483173 /nfs/dbraw/zinc/48/31/73/518483173.db2.gz XUHHONULOBAKRM-OALUTQOASA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000567365046 518487556 /nfs/dbraw/zinc/48/75/56/518487556.db2.gz FXLRTJMCUOJSRN-ACRUOGEOSA-N 1 3 373.541 2.814 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000573070084 518491867 /nfs/dbraw/zinc/49/18/67/518491867.db2.gz OIEDGOMGIIMSDD-KRWDZBQOSA-N 1 3 352.544 2.860 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000584829220 518497120 /nfs/dbraw/zinc/49/71/20/518497120.db2.gz KLHUZKRXQVQKJM-SJORKVTESA-N 1 3 364.559 2.777 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000581991703 518534997 /nfs/dbraw/zinc/53/49/97/518534997.db2.gz YHEKUSRUZNXHJY-KRWDZBQOSA-N 1 3 350.466 2.933 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000581991703 518535002 /nfs/dbraw/zinc/53/50/02/518535002.db2.gz YHEKUSRUZNXHJY-KRWDZBQOSA-N 1 3 350.466 2.933 20 0 FFADHO CSc1nc(NC2CCN(C3CC[NH+](C)CC3)CC2)cc(C(F)F)n1 ZINC000576358938 518555531 /nfs/dbraw/zinc/55/55/31/518555531.db2.gz AKJNYYZFSDNSLU-UHFFFAOYSA-N 1 3 371.501 2.529 20 0 FFADHO CC(C)c1ccc(OCCNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000567502342 518558945 /nfs/dbraw/zinc/55/89/45/518558945.db2.gz HXSYZWDBTNHBBO-UXHICEINSA-N 1 3 373.541 2.627 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000573245273 518573787 /nfs/dbraw/zinc/57/37/87/518573787.db2.gz UTCSDMPMBWJZMR-IRXDYDNUSA-N 1 3 371.447 2.984 20 0 FFADHO Cc1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)n(C2CCN(C)CC2)n1 ZINC000576409487 518580065 /nfs/dbraw/zinc/58/00/65/518580065.db2.gz VIYZOTRVQBCYLA-UHFFFAOYSA-N 1 3 369.513 2.815 20 0 FFADHO O=C(COc1ccccc1CN1CCC([C@H]2CC[NH2+]C2)CC1)N1CCCC1 ZINC000579238475 518588332 /nfs/dbraw/zinc/58/83/32/518588332.db2.gz HNYXSMDAACTQGM-IBGZPJMESA-N 1 3 371.525 2.509 20 0 FFADHO C[NH+](C)C1(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)Cc2ccccc2C1 ZINC000567585603 518599712 /nfs/dbraw/zinc/59/97/12/518599712.db2.gz LDINLKRZWXJEOJ-HXUWFJFHSA-N 1 3 365.521 2.928 20 0 FFADHO COCCC[NH+]1CCC(NC[C@H](O)COc2cccc3ccccc32)CC1 ZINC000564847840 518649745 /nfs/dbraw/zinc/64/97/45/518649745.db2.gz HXIBUCULWOQLLA-FQEVSTJZSA-N 1 3 372.509 2.670 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000567773935 518702251 /nfs/dbraw/zinc/70/22/51/518702251.db2.gz WYQFDJQZUVTTOZ-OAQYLSRUSA-N 1 3 351.494 2.984 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000582340812 518704001 /nfs/dbraw/zinc/70/40/01/518704001.db2.gz CCLQFTXJILGSMO-IBGZPJMESA-N 1 3 373.545 2.718 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000573562167 518729149 /nfs/dbraw/zinc/72/91/49/518729149.db2.gz ONRVRAUHBNIISG-QKLQHJQFSA-N 1 3 358.530 2.622 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000573562167 518729155 /nfs/dbraw/zinc/72/91/55/518729155.db2.gz ONRVRAUHBNIISG-QKLQHJQFSA-N 1 3 358.530 2.622 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1ccc(C[NH3+])cc1)N(C)C ZINC000567820867 518729663 /nfs/dbraw/zinc/72/96/63/518729663.db2.gz QSMXCCLOEHVWEL-OXQOHEQNSA-N 1 3 354.498 2.944 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc3c2CCNC3)[C@@H](C)C1 ZINC000576728323 518734497 /nfs/dbraw/zinc/73/44/97/518734497.db2.gz UHKGPXYHXTXJGJ-LPHOPBHVSA-N 1 3 374.529 2.591 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc3c2CCNC3)[C@@H](C)C1 ZINC000576728323 518734488 /nfs/dbraw/zinc/73/44/88/518734488.db2.gz UHKGPXYHXTXJGJ-LPHOPBHVSA-N 1 3 374.529 2.591 20 0 FFADHO NC[C@H](NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000579572700 518746306 /nfs/dbraw/zinc/74/63/06/518746306.db2.gz PVOUJINEXMNOHL-YRPNKDGESA-N 1 3 352.482 2.608 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000579572548 518746418 /nfs/dbraw/zinc/74/64/18/518746418.db2.gz YAXXOGWEBVYCCC-NVXWUHKLSA-N 1 3 352.548 2.818 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)CC1 ZINC000570736799 518753730 /nfs/dbraw/zinc/75/37/30/518753730.db2.gz IAPULNNZKYISBN-BHIFYINESA-N 1 3 367.537 2.637 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1c1ccccc1F ZINC000579590770 518754887 /nfs/dbraw/zinc/75/48/87/518754887.db2.gz DWHGDSXPCYUKPI-PZJWPPBQSA-N 1 3 367.468 2.988 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000582459734 518761975 /nfs/dbraw/zinc/76/19/75/518761975.db2.gz ZRWDQEXJRSXVDX-GOSISDBHSA-N 1 3 360.546 2.987 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000582459734 518761985 /nfs/dbraw/zinc/76/19/85/518761985.db2.gz ZRWDQEXJRSXVDX-GOSISDBHSA-N 1 3 360.546 2.987 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)[C@@H]1c1cccs1 ZINC000582476184 518771656 /nfs/dbraw/zinc/77/16/56/518771656.db2.gz MSUBKUNNEAWJCI-JFIYKMOQSA-N 1 3 364.559 2.901 20 0 FFADHO C[NH+](C)CCc1ccc(CNC[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000576816730 518777674 /nfs/dbraw/zinc/77/76/74/518777674.db2.gz HGBMXGBOCLTAMS-IBGZPJMESA-N 1 3 367.493 2.802 20 0 FFADHO C[NH+]1CCC(CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000588646524 518795405 /nfs/dbraw/zinc/79/54/05/518795405.db2.gz RBGWBUHALXZVEI-LJQANCHMSA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)OCc1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000570843572 518807714 /nfs/dbraw/zinc/80/77/14/518807714.db2.gz IUVDGTSMVKUCGG-RTWAWAEBSA-N 1 3 373.541 2.549 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000582604162 518834310 /nfs/dbraw/zinc/83/43/10/518834310.db2.gz PPMKTWJOAXRDPX-HXUWFJFHSA-N 1 3 355.482 2.585 20 0 FFADHO O=C(CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Nc1cccnc1 ZINC000570955863 518859015 /nfs/dbraw/zinc/85/90/15/518859015.db2.gz JMMINANPELYQLX-IBGZPJMESA-N 1 3 352.482 2.564 20 0 FFADHO O=C(CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccnc1 ZINC000570955863 518859020 /nfs/dbraw/zinc/85/90/20/518859020.db2.gz JMMINANPELYQLX-IBGZPJMESA-N 1 3 352.482 2.564 20 0 FFADHO O=C(CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccnc1 ZINC000570955863 518859025 /nfs/dbraw/zinc/85/90/25/518859025.db2.gz JMMINANPELYQLX-IBGZPJMESA-N 1 3 352.482 2.564 20 0 FFADHO CCCOc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000579837514 518880285 /nfs/dbraw/zinc/88/02/85/518880285.db2.gz GFSOAFXKFAMWIK-QUCCMNQESA-N 1 3 359.514 2.556 20 0 FFADHO [NH3+][C@@H](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)Cc1ccccc1 ZINC000571041522 518898794 /nfs/dbraw/zinc/89/87/94/518898794.db2.gz SPNGUUKYTPAEJF-NHCUHLMSSA-N 1 3 351.494 2.900 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000573922701 518902740 /nfs/dbraw/zinc/90/27/40/518902740.db2.gz CXAFXDJFIIPVQN-UHFFFAOYSA-N 1 3 366.509 2.947 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1=CCN(C)CC1 ZINC000573957116 518917978 /nfs/dbraw/zinc/91/79/78/518917978.db2.gz OGLMQIVNFJRUFI-SWLSCSKDSA-N 1 3 359.297 2.973 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000577119465 518923479 /nfs/dbraw/zinc/92/34/79/518923479.db2.gz GMSSLXWHPRLWSV-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000571184018 518967776 /nfs/dbraw/zinc/96/77/76/518967776.db2.gz URGLCMVWRAWFCF-OAQYLSRUSA-N 1 3 370.541 2.827 20 0 FFADHO CC[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)N1CCc2ccccc2C1 ZINC000565487816 518980194 /nfs/dbraw/zinc/98/01/94/518980194.db2.gz YUEQRJNPACKPDQ-HXUWFJFHSA-N 1 3 358.530 2.594 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@H](NCCOC[C@@H]1CCCO1)c1ccccc1O2 ZINC000577256564 518989462 /nfs/dbraw/zinc/98/94/62/518989462.db2.gz PZRXVRIIJQLROZ-HKUYNNGSSA-N 1 3 360.498 2.760 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000580090219 519002488 /nfs/dbraw/zinc/00/24/88/519002488.db2.gz OVHJUWLURLFBIR-RTWAWAEBSA-N 1 3 355.526 2.855 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Br)s1 ZINC000565531943 519003723 /nfs/dbraw/zinc/00/37/23/519003723.db2.gz ICNHWUNFFQAUPZ-NWDGAFQWSA-N 1 3 374.348 2.749 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000574151387 519012558 /nfs/dbraw/zinc/01/25/58/519012558.db2.gz MHZPAKMBRBSKOQ-GOEBONIOSA-N 1 3 371.319 2.510 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000583141224 519097925 /nfs/dbraw/zinc/09/79/25/519097925.db2.gz KEMQVHOVRGHLFL-SXLOBPIMSA-N 1 3 359.514 2.856 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000577473971 519098018 /nfs/dbraw/zinc/09/80/18/519098018.db2.gz HOFWQUYNJQGISZ-PPQDBTBKSA-N 1 3 370.541 2.666 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000589951115 519111300 /nfs/dbraw/zinc/11/13/00/519111300.db2.gz ODIOAERCRFNXTK-LEWJYISDSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000571506484 519128886 /nfs/dbraw/zinc/12/88/86/519128886.db2.gz BSOGDJUFMPJQTR-BVIKNXMNSA-N 1 3 364.559 2.900 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000577589656 519154681 /nfs/dbraw/zinc/15/46/81/519154681.db2.gz CFJYQRDVFPMEGC-WMZOPIPTSA-N 1 3 373.545 2.586 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000583312211 519182651 /nfs/dbraw/zinc/18/26/51/519182651.db2.gz PEIOJEYTMYUBDK-VAMGGRTRSA-N 1 3 358.530 2.810 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000568728316 519184346 /nfs/dbraw/zinc/18/43/46/519184346.db2.gz OZLYMXDMCOEEKB-QZTJIDSGSA-N 1 3 358.511 2.923 20 0 FFADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000571623049 519185947 /nfs/dbraw/zinc/18/59/47/519185947.db2.gz FAEINYXNEXTJIR-LPHOPBHVSA-N 1 3 360.502 2.671 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571624246 519187141 /nfs/dbraw/zinc/18/71/41/519187141.db2.gz LDDDWORHDNBQHY-HOTGVXAUSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571624246 519187146 /nfs/dbraw/zinc/18/71/46/519187146.db2.gz LDDDWORHDNBQHY-HOTGVXAUSA-N 1 3 372.513 2.943 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574545903 519210043 /nfs/dbraw/zinc/21/00/43/519210043.db2.gz HGUMEQBJUJJYMA-TZIWHRDSSA-N 1 3 356.514 2.609 20 0 FFADHO NCc1cn([C@H]2CCCN(CCSc3ccc(Cl)cc3)C2)nn1 ZINC000574624577 519247900 /nfs/dbraw/zinc/24/79/00/519247900.db2.gz LETDMLMAUYNLAT-HNNXBMFYSA-N 1 3 351.907 2.819 20 0 FFADHO NCc1cn([C@H]2CCC[N@H+](CCSc3ccc(Cl)cc3)C2)nn1 ZINC000574624577 519247909 /nfs/dbraw/zinc/24/79/09/519247909.db2.gz LETDMLMAUYNLAT-HNNXBMFYSA-N 1 3 351.907 2.819 20 0 FFADHO NCc1cn([C@H]2CCC[N@@H+](CCSc3ccc(Cl)cc3)C2)nn1 ZINC000574624577 519247913 /nfs/dbraw/zinc/24/79/13/519247913.db2.gz LETDMLMAUYNLAT-HNNXBMFYSA-N 1 3 351.907 2.819 20 0 FFADHO COc1cc2nccc(NCC3([NH+]4CCCC4)CCOCC3)c2cc1OC ZINC000571741031 519249504 /nfs/dbraw/zinc/24/95/04/519249504.db2.gz HCHWTDRMPFXSLP-UHFFFAOYSA-N 1 3 371.481 2.731 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000574665476 519268358 /nfs/dbraw/zinc/26/83/58/519268358.db2.gz AUORDIMIDPQMAL-IAGOWNOFSA-N 1 3 364.559 2.901 20 0 FFADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc(F)cc1 ZINC000574665041 519268509 /nfs/dbraw/zinc/26/85/09/519268509.db2.gz VILYAFKPAFRFCG-GOSISDBHSA-N 1 3 372.444 2.732 20 0 FFADHO Clc1ccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000566062605 519274282 /nfs/dbraw/zinc/27/42/82/519274282.db2.gz PEJJFIVLYGPTJZ-VQIMIIECSA-N 1 3 359.857 2.959 20 0 FFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000566071351 519280571 /nfs/dbraw/zinc/28/05/71/519280571.db2.gz NKBCPMWUTDZXBC-KRWDZBQOSA-N 1 3 368.456 2.717 20 0 FFADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577851203 519289932 /nfs/dbraw/zinc/28/99/32/519289932.db2.gz CXWZQOBFJUGLFV-BJLQDIEVSA-N 1 3 373.541 2.974 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000574744716 519310247 /nfs/dbraw/zinc/31/02/47/519310247.db2.gz QVFAFPXQXFVILN-RTWAWAEBSA-N 1 3 373.541 2.791 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000580734091 519330386 /nfs/dbraw/zinc/33/03/86/519330386.db2.gz FQUCQLWTGZBJDK-RNQOJCNYSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000580734091 519330394 /nfs/dbraw/zinc/33/03/94/519330394.db2.gz FQUCQLWTGZBJDK-RNQOJCNYSA-N 1 3 356.514 2.528 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])N2CCCC2)c1 ZINC000566151387 519336193 /nfs/dbraw/zinc/33/61/93/519336193.db2.gz CJRDZGUHGNWJJX-UXPWSPDFSA-N 1 3 359.514 2.856 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000574874792 519379099 /nfs/dbraw/zinc/37/90/99/519379099.db2.gz PEVKSSJVBHDWNK-ZLGUVYLKSA-N 1 3 366.509 2.946 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000578064357 519398875 /nfs/dbraw/zinc/39/88/75/519398875.db2.gz AJYWGQAFVZRQFX-JPYJTQIMSA-N 1 3 368.521 2.898 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000572013166 519399491 /nfs/dbraw/zinc/39/94/91/519399491.db2.gz LWPRYTATDOWJIZ-XYJFISCASA-N 1 3 364.559 2.871 20 0 FFADHO CC(C)c1ccc(OC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000583799867 519440119 /nfs/dbraw/zinc/44/01/19/519440119.db2.gz QMPQVZOAASCGAT-GOSISDBHSA-N 1 3 373.541 2.851 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000583891292 519487841 /nfs/dbraw/zinc/48/78/41/519487841.db2.gz BEFLMJLYPZGNLF-IRLDBZIGSA-N 1 3 358.574 2.657 20 0 FFADHO C[C@H](OCCCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000581072217 519509439 /nfs/dbraw/zinc/50/94/39/519509439.db2.gz ZUVPIXKCDHMAND-CEWLAPEOSA-N 1 3 373.541 2.592 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000581136227 519541203 /nfs/dbraw/zinc/54/12/03/519541203.db2.gz ULFKMEWJHZAJKH-HXUWFJFHSA-N 1 3 360.546 2.913 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@H]3C[NH+](C)C)cc2)CC1 ZINC000591202213 519546488 /nfs/dbraw/zinc/54/64/88/519546488.db2.gz LMQKGBPZGWFWEK-NRFANRHFSA-N 1 3 372.557 2.773 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCC1 ZINC000566611071 519577536 /nfs/dbraw/zinc/57/75/36/519577536.db2.gz XGYNKLSLKBEVOB-OAQYLSRUSA-N 1 3 370.541 2.826 20 0 FFADHO C[N@H+](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000591408490 519619492 /nfs/dbraw/zinc/61/94/92/519619492.db2.gz WYQAAPJYVBILEB-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000591408490 519619497 /nfs/dbraw/zinc/61/94/97/519619497.db2.gz WYQAAPJYVBILEB-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566725808 519624502 /nfs/dbraw/zinc/62/45/02/519624502.db2.gz IMGZSIQNRDAQQF-DLBZAZTESA-N 1 3 360.502 2.610 20 0 FFADHO C[C@H](CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)N(C)C1CC1 ZINC000591540656 519943381 /nfs/dbraw/zinc/94/33/81/519943381.db2.gz UUKWVSHKMUQIIV-QGZVFWFLSA-N 1 3 350.551 2.957 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000608648557 520063974 /nfs/dbraw/zinc/06/39/74/520063974.db2.gz WMRAUVVEUQIQQH-VYDXJSESSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000608648557 520063980 /nfs/dbraw/zinc/06/39/80/520063980.db2.gz WMRAUVVEUQIQQH-VYDXJSESSA-N 1 3 350.532 2.524 20 0 FFADHO COC(=O)c1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000608864864 520149871 /nfs/dbraw/zinc/14/98/71/520149871.db2.gz UTTPVRIAVMLWQO-IAGOWNOFSA-N 1 3 360.498 2.794 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000603328303 520218374 /nfs/dbraw/zinc/21/83/74/520218374.db2.gz ZRPFDVYCXYKZQZ-GOSISDBHSA-N 1 3 372.557 2.677 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000612970613 520248653 /nfs/dbraw/zinc/24/86/53/520248653.db2.gz KKALSYPRWZNPMP-RTBURBONSA-N 1 3 356.514 2.573 20 0 FFADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000595066126 520275697 /nfs/dbraw/zinc/27/56/97/520275697.db2.gz CJZRTFMIIAEZDS-QFBILLFUSA-N 1 3 362.514 2.711 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)cc2)C1 ZINC000604169467 520465656 /nfs/dbraw/zinc/46/56/56/520465656.db2.gz XLDJWHRWXBHNCC-YLJYHZDGSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)cc2)C1 ZINC000604169467 520465661 /nfs/dbraw/zinc/46/56/61/520465661.db2.gz XLDJWHRWXBHNCC-YLJYHZDGSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(Br)c1 ZINC000617504235 520537949 /nfs/dbraw/zinc/53/79/49/520537949.db2.gz LXJDPRIRSWDAST-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(Br)c1 ZINC000617504235 520537956 /nfs/dbraw/zinc/53/79/56/520537956.db2.gz LXJDPRIRSWDAST-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000617504417 520538375 /nfs/dbraw/zinc/53/83/75/520538375.db2.gz UXFKMMPYWYIPDZ-ZDUSSCGKSA-N 1 3 350.894 2.823 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000617504417 520538385 /nfs/dbraw/zinc/53/83/85/520538385.db2.gz UXFKMMPYWYIPDZ-ZDUSSCGKSA-N 1 3 350.894 2.823 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000617505827 520542593 /nfs/dbraw/zinc/54/25/93/520542593.db2.gz RGXIWUMJWWQACJ-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000617505827 520542600 /nfs/dbraw/zinc/54/26/00/520542600.db2.gz RGXIWUMJWWQACJ-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO COc1ccc(C2(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2)cc1 ZINC000617505001 520542953 /nfs/dbraw/zinc/54/29/53/520542953.db2.gz SRISHHRAERXWIS-KRWDZBQOSA-N 1 3 361.530 2.505 20 0 FFADHO COc1ccc(C2(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2)cc1 ZINC000617505001 520542961 /nfs/dbraw/zinc/54/29/61/520542961.db2.gz SRISHHRAERXWIS-KRWDZBQOSA-N 1 3 361.530 2.505 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(-c2ccccc2)cs1 ZINC000617507423 520546542 /nfs/dbraw/zinc/54/65/42/520546542.db2.gz WDLXDWOIRKTKHM-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(-c2ccccc2)cs1 ZINC000617507423 520546551 /nfs/dbraw/zinc/54/65/51/520546551.db2.gz WDLXDWOIRKTKHM-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C ZINC000604752291 520658921 /nfs/dbraw/zinc/65/89/21/520658921.db2.gz DQBIYUBXJDSCIL-RBUKOAKNSA-N 1 3 360.546 2.776 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000601243888 520705187 /nfs/dbraw/zinc/70/51/87/520705187.db2.gz VKYBGIJCNDOWNZ-WOJBJXKFSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000601248793 520706556 /nfs/dbraw/zinc/70/65/56/520706556.db2.gz SHJWIXWGFSAOLN-LMMKCTJWSA-N 1 3 350.551 2.623 20 0 FFADHO COC(=O)c1cc(CNCc2cccc(C[NH+](C)C)c2)n2c1CCCC2 ZINC000598629544 520751690 /nfs/dbraw/zinc/75/16/90/520751690.db2.gz LVBMNFBOSDIOMA-UHFFFAOYSA-N 1 3 355.482 2.962 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614028784 520771041 /nfs/dbraw/zinc/77/10/41/520771041.db2.gz OYMVCLARNMLUGI-SFTDATJTSA-N 1 3 355.526 2.999 20 0 FFADHO CC[C@H](C(=O)NCc1ccccc1CN1CCN(CC)CC1)[NH+](CC)CC ZINC000605455618 520881239 /nfs/dbraw/zinc/88/12/39/520881239.db2.gz ZGGQWTNPSDKSEI-OAQYLSRUSA-N 1 3 374.573 2.561 20 0 FFADHO CCOC(=O)[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000610930237 520907841 /nfs/dbraw/zinc/90/78/41/520907841.db2.gz VCZNXFYJVKRXEF-LJQANCHMSA-N 1 3 360.498 2.936 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000593876418 521266758 /nfs/dbraw/zinc/26/67/58/521266758.db2.gz XNQHDHSDNXFJQG-GGPKGHCWSA-N 1 3 358.530 2.673 20 0 FFADHO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615274401 521347244 /nfs/dbraw/zinc/34/72/44/521347244.db2.gz IUEVWNOZWRPSST-LEWJYISDSA-N 1 3 371.525 2.608 20 0 FFADHO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615274401 521347252 /nfs/dbraw/zinc/34/72/52/521347252.db2.gz IUEVWNOZWRPSST-LEWJYISDSA-N 1 3 371.525 2.608 20 0 FFADHO Nc1ccc(-c2cccc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000634997635 521858050 /nfs/dbraw/zinc/85/80/50/521858050.db2.gz PPOMYKHPDPDWAQ-OAQYLSRUSA-N 1 3 366.509 2.921 20 0 FFADHO Cc1ccc(NC(=O)C[C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)c1 ZINC000635007043 521865385 /nfs/dbraw/zinc/86/53/85/521865385.db2.gz DCUWRNXRRAPHQM-QGZVFWFLSA-N 1 3 367.497 2.937 20 0 FFADHO C/C=C/C[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000623564443 522124163 /nfs/dbraw/zinc/12/41/63/522124163.db2.gz CRVLYLUSZCZCOQ-OAJJDEHYSA-N 1 3 362.562 2.933 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H](C)C[NH+](CC)CC)N1CCc2ccccc2C1 ZINC000620550592 522290483 /nfs/dbraw/zinc/29/04/83/522290483.db2.gz RZWLDOXDWPRNIU-XLIONFOSSA-N 1 3 360.546 2.853 20 0 FFADHO CCc1nc(C(C)C)ccc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000629516771 522294255 /nfs/dbraw/zinc/29/42/55/522294255.db2.gz PJUYANUTQVEBTQ-LAUBAEHRSA-N 1 3 372.557 2.848 20 0 FFADHO COC[C@H](CCC[NH3+])NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629520419 522296266 /nfs/dbraw/zinc/29/62/66/522296266.db2.gz VVKJFWPKCACQNY-RXVVDRJESA-N 1 3 367.493 2.727 20 0 FFADHO Cc1ccc(Cl)cc1N1CC[C@@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558793 522312939 /nfs/dbraw/zinc/31/29/39/522312939.db2.gz NLHYZIOVDWFLDD-WMZOPIPTSA-N 1 3 351.922 2.521 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1)CN1CCCC1 ZINC000629566663 522321190 /nfs/dbraw/zinc/32/11/90/522321190.db2.gz ZVYGJJDGSVWVGR-PMACEKPBSA-N 1 3 365.949 2.741 20 0 FFADHO C[NH2+]CCOCCN(C)Cc1ccc(Br)c2cccnc12 ZINC000629571757 522324890 /nfs/dbraw/zinc/32/48/90/522324890.db2.gz IIXMBAGRTZTGGX-UHFFFAOYSA-N 1 3 352.276 2.665 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000635528200 522337069 /nfs/dbraw/zinc/33/70/69/522337069.db2.gz PDMHJBJSIANACK-CVEARBPZSA-N 1 3 364.559 2.962 20 0 FFADHO C[NH2+]CCOCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000629654473 522376468 /nfs/dbraw/zinc/37/64/68/522376468.db2.gz RFSNBLACDAJJTE-UHFFFAOYSA-N 1 3 365.481 2.602 20 0 FFADHO CN(C)CCOc1cccc(-c2ccc(NC(=O)C3CC[NH2+]CC3)nc2)c1 ZINC000629701163 522401940 /nfs/dbraw/zinc/40/19/40/522401940.db2.gz QSUJEJSDPMSVGG-UHFFFAOYSA-N 1 3 368.481 2.627 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCCCC[C@@H]([NH3+])C3)c2)CC1 ZINC000632932807 522405846 /nfs/dbraw/zinc/40/58/46/522405846.db2.gz BRCHVQSOANHUOG-QGZVFWFLSA-N 1 3 359.518 2.564 20 0 FFADHO COc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000626746817 522414825 /nfs/dbraw/zinc/41/48/25/522414825.db2.gz XARYDHJRHSBOPE-UHFFFAOYSA-N 1 3 360.502 2.684 20 0 FFADHO C[C@H](CNC(=O)N1CCN(CC2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000620817934 522466969 /nfs/dbraw/zinc/46/69/69/522466969.db2.gz KHHDFSUVWMMQCH-GOSISDBHSA-N 1 3 350.551 2.626 20 0 FFADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624123970 522489846 /nfs/dbraw/zinc/48/98/46/522489846.db2.gz VDNUMMIEOSVLSP-FXAWDEMLSA-N 1 3 357.502 2.740 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)cc1 ZINC000633158196 522563878 /nfs/dbraw/zinc/56/38/78/522563878.db2.gz IXXXOTVALIZUFV-PXNSSMCTSA-N 1 3 356.514 2.519 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)cc1 ZINC000633158196 522563884 /nfs/dbraw/zinc/56/38/84/522563884.db2.gz IXXXOTVALIZUFV-PXNSSMCTSA-N 1 3 356.514 2.519 20 0 FFADHO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000624305262 522598776 /nfs/dbraw/zinc/59/87/76/522598776.db2.gz ZNXKJOYTUZYTID-PIKADFDJSA-N 1 3 356.470 2.708 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621372578 522808584 /nfs/dbraw/zinc/80/85/84/522808584.db2.gz XQMCCTRIBUTONX-VVIORFSUSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621372578 522808593 /nfs/dbraw/zinc/80/85/93/522808593.db2.gz XQMCCTRIBUTONX-VVIORFSUSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621372578 522808605 /nfs/dbraw/zinc/80/86/05/522808605.db2.gz XQMCCTRIBUTONX-VVIORFSUSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621372578 522808613 /nfs/dbraw/zinc/80/86/13/522808613.db2.gz XQMCCTRIBUTONX-VVIORFSUSA-N 1 3 360.542 2.587 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656692 523000089 /nfs/dbraw/zinc/00/00/89/523000089.db2.gz VMIVLIFMFAVATE-OAHLLOKOSA-N 1 3 353.457 2.635 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000633941787 523082552 /nfs/dbraw/zinc/08/25/52/523082552.db2.gz GJCZHKFXMJDMLE-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622004767 523211578 /nfs/dbraw/zinc/21/15/78/523211578.db2.gz UTMXIGDJWLYSAI-CQSZACIVSA-N 1 3 369.431 2.872 20 0 FFADHO O[C@H](CC[NH2+]C1CCN(c2ccncc2)CC1)COCc1ccccc1 ZINC000628494022 523580934 /nfs/dbraw/zinc/58/09/34/523580934.db2.gz CTQZRPFNGKKFHL-OAQYLSRUSA-N 1 3 355.482 2.608 20 0 FFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000631603142 523710979 /nfs/dbraw/zinc/71/09/79/523710979.db2.gz UVGROPYJSUWKDR-OTWHNJEPSA-N 1 3 360.498 2.876 20 0 FFADHO OC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCN(Cc2ccccc2)CC1 ZINC000631641183 523730942 /nfs/dbraw/zinc/73/09/42/523730942.db2.gz JAAVJNCYURSKEL-UFYCRDLUSA-N 1 3 356.510 2.561 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000669120051 568058254 /nfs/dbraw/zinc/05/82/54/568058254.db2.gz OEQQRZREHYAOSL-HMXCVIKNSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000669120051 568058255 /nfs/dbraw/zinc/05/82/55/568058255.db2.gz OEQQRZREHYAOSL-HMXCVIKNSA-N 1 3 357.542 2.740 20 0 FFADHO CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000825328656 608509166 /nfs/dbraw/zinc/50/91/66/608509166.db2.gz VWWXTJYYYUGGSJ-IBGZPJMESA-N 1 3 354.502 2.956 20 0 FFADHO CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000825328656 608509167 /nfs/dbraw/zinc/50/91/67/608509167.db2.gz VWWXTJYYYUGGSJ-IBGZPJMESA-N 1 3 354.502 2.956 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1csc(-c2ccccc2)n1 ZINC000084734595 728425459 /nfs/dbraw/zinc/42/54/59/728425459.db2.gz BRLJMJARIWAHCV-KRWDZBQOSA-N 1 3 357.527 2.741 20 0 FFADHO COc1cc(Br)ccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000180933200 729228972 /nfs/dbraw/zinc/22/89/72/729228972.db2.gz MICVAQWZMCTPCV-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO COc1cc(Br)ccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000180933200 729228976 /nfs/dbraw/zinc/22/89/76/729228976.db2.gz MICVAQWZMCTPCV-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000261630833 729650998 /nfs/dbraw/zinc/65/09/98/729650998.db2.gz FKDPWZVEUPJLIV-OAHLLOKOSA-N 1 3 358.255 2.588 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641051887 730194527 /nfs/dbraw/zinc/19/45/27/730194527.db2.gz KWLIRBXRBPQBKR-KRWDZBQOSA-N 1 3 352.910 2.555 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000862268660 730683935 /nfs/dbraw/zinc/68/39/35/730683935.db2.gz MXIRPBOOVXTORT-DZGCQCFKSA-N 1 3 359.461 2.705 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000647938337 730776202 /nfs/dbraw/zinc/77/62/02/730776202.db2.gz JZDRQBURTJRCEA-RISCZKNCSA-N 1 3 372.282 2.976 20 0 FFADHO Brc1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)nc1 ZINC000649411685 730882999 /nfs/dbraw/zinc/88/29/99/730882999.db2.gz RKGUSSJRDKOJPC-UHFFFAOYSA-N 1 3 367.335 2.746 20 0 FFADHO CC[N@H+](CCCNC(=O)N[C@H](C)C1=CCN(C)CC1)C1CCCCC1 ZINC000651020442 731047885 /nfs/dbraw/zinc/04/78/85/731047885.db2.gz DTCDGNIGBPLUIT-QGZVFWFLSA-N 1 3 350.551 2.981 20 0 FFADHO CC[N@@H+](CCCNC(=O)N[C@H](C)C1=CCN(C)CC1)C1CCCCC1 ZINC000651020442 731047888 /nfs/dbraw/zinc/04/78/88/731047888.db2.gz DTCDGNIGBPLUIT-QGZVFWFLSA-N 1 3 350.551 2.981 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000651196013 731064406 /nfs/dbraw/zinc/06/44/06/731064406.db2.gz JDKDVLXSIYHLNZ-GOSISDBHSA-N 1 3 352.498 2.706 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000651196013 731064408 /nfs/dbraw/zinc/06/44/08/731064408.db2.gz JDKDVLXSIYHLNZ-GOSISDBHSA-N 1 3 352.498 2.706 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000655268757 731445402 /nfs/dbraw/zinc/44/54/02/731445402.db2.gz BEUNZXYZXGMEGO-KRWDZBQOSA-N 1 3 353.576 2.537 20 0 FFADHO COc1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000655704922 731500805 /nfs/dbraw/zinc/50/08/05/731500805.db2.gz QFOIVNILVRYGTE-OAHLLOKOSA-N 1 3 369.303 2.801 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CS1 ZINC000655730011 731502743 /nfs/dbraw/zinc/50/27/43/731502743.db2.gz KZEFMFOHUMHPTE-VQIMIIECSA-N 1 3 361.555 2.886 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000656708593 731627239 /nfs/dbraw/zinc/62/72/39/731627239.db2.gz HHZQDBQKWMNQCN-INIZCTEOSA-N 1 3 355.320 2.674 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CNCC1(Cc2ccc(Br)cc2)CC1 ZINC000656708593 731627244 /nfs/dbraw/zinc/62/72/44/731627244.db2.gz HHZQDBQKWMNQCN-INIZCTEOSA-N 1 3 355.320 2.674 20 0 FFADHO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000925832619 738534264 /nfs/dbraw/zinc/53/42/64/738534264.db2.gz GNOQNVYEWGTIGH-AWEZNQCLSA-N 1 3 361.511 2.536 20 0 FFADHO Brc1cnn(C2(C[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)CC2)c1 ZINC000925840390 738535016 /nfs/dbraw/zinc/53/50/16/738535016.db2.gz VWMXMUFMZFOAHC-HZPDHXFCSA-N 1 3 367.335 2.893 20 0 FFADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000925849505 738536155 /nfs/dbraw/zinc/53/61/55/738536155.db2.gz DKQHWBNWNSMWGB-CMPLNLGQSA-N 1 3 372.296 2.912 20 0 FFADHO O=C1O[C@@H](CN[C@@H]2CCSc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925852769 738537253 /nfs/dbraw/zinc/53/72/53/738537253.db2.gz IEDZVMUCOCPKQS-UKRRQHHQSA-N 1 3 350.459 2.638 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000660339728 732099183 /nfs/dbraw/zinc/09/91/83/732099183.db2.gz QLGVAPKRZRNLEJ-SJORKVTESA-N 1 3 352.548 2.915 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1 ZINC000660339728 732099187 /nfs/dbraw/zinc/09/91/87/732099187.db2.gz QLGVAPKRZRNLEJ-SJORKVTESA-N 1 3 352.548 2.915 20 0 FFADHO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660660687 732131090 /nfs/dbraw/zinc/13/10/90/732131090.db2.gz AJYHAECQKWQCLD-VQIMIIECSA-N 1 3 352.906 2.806 20 0 FFADHO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660660687 732131091 /nfs/dbraw/zinc/13/10/91/732131091.db2.gz AJYHAECQKWQCLD-VQIMIIECSA-N 1 3 352.906 2.806 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000876723046 732272480 /nfs/dbraw/zinc/27/24/80/732272480.db2.gz LSAPCBGUDYBCEM-ZIAGYGMSSA-N 1 3 364.559 2.911 20 0 FFADHO Clc1ccc(O[C@H]2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662259275 732289737 /nfs/dbraw/zinc/28/97/37/732289737.db2.gz UAGOOBNTJQCOPG-UONOGXRCSA-N 1 3 357.281 2.968 20 0 FFADHO CN(C)CCN(C(=O)c1csc(C2CC[NH2+]CC2)n1)C1CCCC1 ZINC000876873497 732290614 /nfs/dbraw/zinc/29/06/14/732290614.db2.gz IICXQAQQIHUULR-UHFFFAOYSA-N 1 3 350.532 2.557 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000876970282 732305551 /nfs/dbraw/zinc/30/55/51/732305551.db2.gz NKUQVRCPRWSVGV-CQSZACIVSA-N 1 3 364.559 2.769 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc2c(s1)CCNC2 ZINC000662505632 732326095 /nfs/dbraw/zinc/32/60/95/732326095.db2.gz ZGACMNIIBICDOR-UHFFFAOYSA-N 1 3 361.486 2.737 20 0 FFADHO CC(C)(N)c1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)on1 ZINC000662697531 732347685 /nfs/dbraw/zinc/34/76/85/732347685.db2.gz GCJLABREWMZTNW-ZDUSSCGKSA-N 1 3 362.499 2.572 20 0 FFADHO CC(C)(N)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)on1 ZINC000662697531 732347687 /nfs/dbraw/zinc/34/76/87/732347687.db2.gz GCJLABREWMZTNW-ZDUSSCGKSA-N 1 3 362.499 2.572 20 0 FFADHO CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663450437 732443650 /nfs/dbraw/zinc/44/36/50/732443650.db2.gz JEBVRRQQMXTMNX-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663450437 732443653 /nfs/dbraw/zinc/44/36/53/732443653.db2.gz JEBVRRQQMXTMNX-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000663809121 732496868 /nfs/dbraw/zinc/49/68/68/732496868.db2.gz JRZGQVZDMZPROM-HOTGVXAUSA-N 1 3 352.498 2.500 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000663809121 732496872 /nfs/dbraw/zinc/49/68/72/732496872.db2.gz JRZGQVZDMZPROM-HOTGVXAUSA-N 1 3 352.498 2.500 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000664875008 732643068 /nfs/dbraw/zinc/64/30/68/732643068.db2.gz UZCQQRAOCSXQOC-XHSDSOJGSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000664875008 732643071 /nfs/dbraw/zinc/64/30/71/732643071.db2.gz UZCQQRAOCSXQOC-XHSDSOJGSA-N 1 3 350.507 2.881 20 0 FFADHO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665364801 732699735 /nfs/dbraw/zinc/69/97/35/732699735.db2.gz XRLBUUSQSAYOGF-HNNXBMFYSA-N 1 3 352.548 2.694 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000665757621 732752023 /nfs/dbraw/zinc/75/20/23/732752023.db2.gz QPHNFFHXDHQJEA-ICSRJNTNSA-N 1 3 350.551 2.790 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000665757621 732752026 /nfs/dbraw/zinc/75/20/26/732752026.db2.gz QPHNFFHXDHQJEA-ICSRJNTNSA-N 1 3 350.551 2.790 20 0 FFADHO CC(C)[C@H]1N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC12CC=CC2 ZINC000665763735 732753803 /nfs/dbraw/zinc/75/38/03/732753803.db2.gz KNFFMSYRLNUWBL-ZWKOTPCHSA-N 1 3 350.551 2.645 20 0 FFADHO CC(C)[C@H]1N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC12CC=CC2 ZINC000665763735 732753807 /nfs/dbraw/zinc/75/38/07/732753807.db2.gz KNFFMSYRLNUWBL-ZWKOTPCHSA-N 1 3 350.551 2.645 20 0 FFADHO COc1ccc(OC)c([C@H](O)CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000880517401 732918687 /nfs/dbraw/zinc/91/86/87/732918687.db2.gz QCVYNLSQJOPPGJ-LJQANCHMSA-N 1 3 350.503 2.935 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1ccsc1 ZINC000891347810 734417394 /nfs/dbraw/zinc/41/73/94/734417394.db2.gz IXTCBFHKIBPKFW-IXDOHACOSA-N 1 3 350.532 2.667 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000891349969 734418008 /nfs/dbraw/zinc/41/80/08/734418008.db2.gz YUPOUJDKVRLOHS-CABCVRRESA-N 1 3 374.501 2.675 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000892919142 734622817 /nfs/dbraw/zinc/62/28/17/734622817.db2.gz LINSCTGEVVABPB-UHFFFAOYSA-N 1 3 350.482 2.513 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCCN(C)C1 ZINC000893201520 734667328 /nfs/dbraw/zinc/66/73/28/734667328.db2.gz ZPUHFAXUDYPMMS-SOLBZPMBSA-N 1 3 364.559 2.867 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H]1CCCN(C)C1 ZINC000893201520 734667330 /nfs/dbraw/zinc/66/73/30/734667330.db2.gz ZPUHFAXUDYPMMS-SOLBZPMBSA-N 1 3 364.559 2.867 20 0 FFADHO COC(=O)[C@@H]1[C@H](CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1(F)F ZINC000894209887 734818878 /nfs/dbraw/zinc/81/88/78/734818878.db2.gz YKDZSOMTENEGIT-QEJZJMRPSA-N 1 3 358.454 2.604 20 0 FFADHO COC(=O)[C@@H]1[C@H](CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1(F)F ZINC000894209887 734818879 /nfs/dbraw/zinc/81/88/79/734818879.db2.gz YKDZSOMTENEGIT-QEJZJMRPSA-N 1 3 358.454 2.604 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000733753109 734846709 /nfs/dbraw/zinc/84/67/09/734846709.db2.gz GGANLNRWYIVPTB-IRXDYDNUSA-N 1 3 352.592 2.542 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000733753109 734846714 /nfs/dbraw/zinc/84/67/14/734846714.db2.gz GGANLNRWYIVPTB-IRXDYDNUSA-N 1 3 352.592 2.542 20 0 FFADHO O[C@@H](CN1CCCCC[C@@H]1C[C@H](O)c1cccs1)C[NH+]1CCCC1 ZINC000750983312 735833029 /nfs/dbraw/zinc/83/30/29/735833029.db2.gz JABVANRCDDNFDZ-KURKYZTESA-N 1 3 352.544 2.873 20 0 FFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2COCC[C@H]2OC)ccc1OC ZINC000903299066 736072497 /nfs/dbraw/zinc/07/24/97/736072497.db2.gz DBFYXAPLNOSGNW-QKYXUNIQSA-N 1 3 350.503 2.992 20 0 FFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C3(O)CCOCC3)CC2)CC1 ZINC000903349623 736078862 /nfs/dbraw/zinc/07/88/62/736078862.db2.gz JKYYUZOJSOCGNV-MJGOQNOKSA-N 1 3 350.547 2.941 20 0 FFADHO FC(F)(F)c1ncccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506250 736103349 /nfs/dbraw/zinc/10/33/49/736103349.db2.gz QKFWAMCXESWESR-IYBDPMFKSA-N 1 3 354.420 2.501 20 0 FFADHO O=C(Nc1ccc(Cl)cn1)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903737180 736161791 /nfs/dbraw/zinc/16/17/91/736161791.db2.gz PYHLEXMLBPTBAV-CQSZACIVSA-N 1 3 350.894 2.775 20 0 FFADHO Cc1csc(C[C@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903954662 736195131 /nfs/dbraw/zinc/19/51/31/736195131.db2.gz SSTXSAYQEILQNK-SJORKVTESA-N 1 3 361.559 2.566 20 0 FFADHO OCC1(C[C@@H](O)CNC2CC[NH+](CC3CCCCC3)CC2)CCCC1 ZINC000905071579 736292283 /nfs/dbraw/zinc/29/22/83/736292283.db2.gz OVACRSXUEZAPIL-HXUWFJFHSA-N 1 3 352.563 2.924 20 0 FFADHO OCC1(C[C@@H](O)C[NH2+]C2CCN(CC3CCCCC3)CC2)CCCC1 ZINC000905071579 736292289 /nfs/dbraw/zinc/29/22/89/736292289.db2.gz OVACRSXUEZAPIL-HXUWFJFHSA-N 1 3 352.563 2.924 20 0 FFADHO CN1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC12CCCCC2 ZINC000908571433 736796531 /nfs/dbraw/zinc/79/65/31/736796531.db2.gz IIHKVIHWVBMYCA-GOSISDBHSA-N 1 3 365.587 2.681 20 0 FFADHO [NH3+]C[C@@H](NC[C@H](O)COc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000923374761 738276872 /nfs/dbraw/zinc/27/68/72/738276872.db2.gz VRJIJAJRGHNUJK-GOEBONIOSA-N 1 3 360.420 2.942 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@@H](O)c3ccc(F)cc3Cl)C2)C1 ZINC000923389674 738278309 /nfs/dbraw/zinc/27/83/09/738278309.db2.gz VQWWOJIEFVRKEU-FOZNTRSISA-N 1 3 356.869 2.731 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1 ZINC000819172129 742347607 /nfs/dbraw/zinc/34/76/07/742347607.db2.gz BFJXXTJMUDEDJW-GUDVDZBRSA-N 1 3 352.906 2.731 20 0 FFADHO CC[C@](C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000933517598 739641659 /nfs/dbraw/zinc/64/16/59/739641659.db2.gz YBAZRPAAFYGWOK-INIZCTEOSA-N 1 3 364.456 2.575 20 0 FFADHO CC[NH+](CC)CCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000800147288 740492014 /nfs/dbraw/zinc/49/20/14/740492014.db2.gz QIQOPPMGMVHMKW-CQSZACIVSA-N 1 3 354.397 2.593 20 0 FFADHO CC[C@H](F)CN1C[C@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC000982285438 741202415 /nfs/dbraw/zinc/20/24/15/741202415.db2.gz FKIVEZBORZXCFQ-VBYALHQYSA-N 1 3 353.526 2.635 20 0 FFADHO CC[C@H](F)CN1C[C@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC000982285438 741202419 /nfs/dbraw/zinc/20/24/19/741202419.db2.gz FKIVEZBORZXCFQ-VBYALHQYSA-N 1 3 353.526 2.635 20 0 FFADHO CN(C)C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000811528010 741534188 /nfs/dbraw/zinc/53/41/88/741534188.db2.gz GHRIERMLTDZZFW-QFBILLFUSA-N 1 3 353.457 2.757 20 0 FFADHO CN(C)C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000811528010 741534189 /nfs/dbraw/zinc/53/41/89/741534189.db2.gz GHRIERMLTDZZFW-QFBILLFUSA-N 1 3 353.457 2.757 20 0 FFADHO O[C@@H](CNC1(Cc2ccc(F)cc2Cl)CCOCC1)C[NH+]1CCCC1 ZINC000815219332 741913946 /nfs/dbraw/zinc/91/39/46/741913946.db2.gz YXIIUIBMHNRNLJ-KRWDZBQOSA-N 1 3 370.896 2.617 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nc(C)sc3C)CC2)CC[N@@H+]1C ZINC000996602722 741995546 /nfs/dbraw/zinc/99/55/46/741995546.db2.gz FVQGSUKCGNIVBZ-FUHWJXTLSA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nc(C)sc3C)CC2)CC[N@H+]1C ZINC000996602722 741995550 /nfs/dbraw/zinc/99/55/50/741995550.db2.gz FVQGSUKCGNIVBZ-FUHWJXTLSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817928728 742222771 /nfs/dbraw/zinc/22/27/71/742222771.db2.gz FKAMMBYPTHEFIH-PIGZYNQJSA-N 1 3 364.287 2.995 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC001020174897 742537369 /nfs/dbraw/zinc/53/73/69/742537369.db2.gz WVVZYWNQYZRYRM-NBOOPKSLSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC001020174897 742537372 /nfs/dbraw/zinc/53/73/72/742537372.db2.gz WVVZYWNQYZRYRM-NBOOPKSLSA-N 1 3 367.896 2.946 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000820974074 742572623 /nfs/dbraw/zinc/57/26/23/742572623.db2.gz ZEMOVBQIINQYRA-AWEZNQCLSA-N 1 3 369.941 2.800 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000820974074 742572627 /nfs/dbraw/zinc/57/26/27/742572627.db2.gz ZEMOVBQIINQYRA-AWEZNQCLSA-N 1 3 369.941 2.800 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC001022103517 742643811 /nfs/dbraw/zinc/64/38/11/742643811.db2.gz IMYAADJHIBURCB-REBRKWNGSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC001022103517 742643816 /nfs/dbraw/zinc/64/38/16/742643816.db2.gz IMYAADJHIBURCB-REBRKWNGSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001024966767 742736719 /nfs/dbraw/zinc/73/67/19/742736719.db2.gz CWRDZZYRRDHQQS-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2cccc(Cl)n2)CC[N@H+]1C ZINC001024966767 742736723 /nfs/dbraw/zinc/73/67/23/742736723.db2.gz CWRDZZYRRDHQQS-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3scnc3C)CC2)CC[N@@H+]1C ZINC001052395333 743587514 /nfs/dbraw/zinc/58/75/14/743587514.db2.gz PTYLXBGLGWPWSA-YESZJQIVSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3scnc3C)CC2)CC[N@H+]1C ZINC001052395333 743587517 /nfs/dbraw/zinc/58/75/17/743587517.db2.gz PTYLXBGLGWPWSA-YESZJQIVSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000830131699 745312975 /nfs/dbraw/zinc/31/29/75/745312975.db2.gz ZPEQFOCFIWAEPV-DLBZAZTESA-N 1 3 364.921 2.910 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(CCC[NH3+])CC2CCCC2)cc(Cl)n1 ZINC000841850493 747476528 /nfs/dbraw/zinc/47/65/28/747476528.db2.gz BOPFYVMUVGBTHC-MRXNPFEDSA-N 1 3 352.910 2.801 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000844171860 747982953 /nfs/dbraw/zinc/98/29/53/747982953.db2.gz MKKTZHHXGCKBSQ-OFQRWUPVSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000844171860 747982958 /nfs/dbraw/zinc/98/29/58/747982958.db2.gz MKKTZHHXGCKBSQ-OFQRWUPVSA-N 1 3 352.910 2.812 20 0 FFADHO CCCCCC[C@H](C)NC(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846221727 748433149 /nfs/dbraw/zinc/43/31/49/748433149.db2.gz DJSPFKQVJKEFGQ-INDMIFKZSA-N 1 3 353.551 2.680 20 0 FFADHO CC[C@@H](NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccs1 ZINC000849276826 749083961 /nfs/dbraw/zinc/08/39/61/749083961.db2.gz QLBGTHQOBHCPTN-LSDHHAIUSA-N 1 3 356.605 2.935 20 0 FFADHO CC[C@@H](NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccs1 ZINC000849276826 749083963 /nfs/dbraw/zinc/08/39/63/749083963.db2.gz QLBGTHQOBHCPTN-LSDHHAIUSA-N 1 3 356.605 2.935 20 0 FFADHO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000851926115 749728962 /nfs/dbraw/zinc/72/89/62/749728962.db2.gz JOSXUHLCIRTBOE-INMHGKMJSA-N 1 3 362.451 2.814 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000854114083 750243482 /nfs/dbraw/zinc/24/34/82/750243482.db2.gz XDFSJEGVLPSEIL-DZGCQCFKSA-N 1 3 367.365 2.532 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000854114083 750243488 /nfs/dbraw/zinc/24/34/88/750243488.db2.gz XDFSJEGVLPSEIL-DZGCQCFKSA-N 1 3 367.365 2.532 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1 ZINC001087908809 971066017 /nfs/dbraw/zinc/06/60/17/971066017.db2.gz OEBBTFRBQMUOGX-IMFGXOCKSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@@H]2C1 ZINC001087908809 971066026 /nfs/dbraw/zinc/06/60/26/971066026.db2.gz OEBBTFRBQMUOGX-IMFGXOCKSA-N 1 3 359.489 2.509 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001104937600 971184710 /nfs/dbraw/zinc/18/47/10/971184710.db2.gz GJGYHBAXTKFPDY-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO Cc1nc([C@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)no1 ZINC000896238846 971370497 /nfs/dbraw/zinc/37/04/97/971370497.db2.gz GOXUKXQDJOEPMC-SFHVURJKSA-N 1 3 356.470 2.842 20 0 FFADHO CS[C@@H](C)CC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275854520 1013092998 /nfs/dbraw/zinc/09/29/98/1013092998.db2.gz SXZLPFNQYDIYCE-JXFKEZNVSA-N 1 3 361.555 2.680 20 0 FFADHO CS[C@@H](C)CC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275854520 1013093016 /nfs/dbraw/zinc/09/30/16/1013093016.db2.gz SXZLPFNQYDIYCE-JXFKEZNVSA-N 1 3 361.555 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648835241 1013093884 /nfs/dbraw/zinc/09/38/84/1013093884.db2.gz JNFOKUDIVZQDCO-BHIYHBOVSA-N 1 3 367.497 2.609 20 0 FFADHO C[C@@H]1[C@H](C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648835241 1013093896 /nfs/dbraw/zinc/09/38/96/1013093896.db2.gz JNFOKUDIVZQDCO-BHIYHBOVSA-N 1 3 367.497 2.609 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087993521 971738471 /nfs/dbraw/zinc/73/84/71/971738471.db2.gz RGYPXQVQLGPECQ-BHIFYINESA-N 1 3 369.553 2.740 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087993521 971738476 /nfs/dbraw/zinc/73/84/76/971738476.db2.gz RGYPXQVQLGPECQ-BHIFYINESA-N 1 3 369.553 2.740 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)C1CCC1 ZINC001087994768 971744332 /nfs/dbraw/zinc/74/43/32/971744332.db2.gz AWMOMSZVXNEANU-MOPGFXCFSA-N 1 3 359.558 2.831 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)C1CCC1 ZINC001087994768 971744337 /nfs/dbraw/zinc/74/43/37/971744337.db2.gz AWMOMSZVXNEANU-MOPGFXCFSA-N 1 3 359.558 2.831 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3F)CC[C@@H]2C1)N(C)C ZINC001088011667 971846727 /nfs/dbraw/zinc/84/67/27/971846727.db2.gz XZRMXSRJGVZTLW-IMFGXOCKSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ccc3F)CC[C@@H]2C1)N(C)C ZINC001088011667 971846733 /nfs/dbraw/zinc/84/67/33/971846733.db2.gz XZRMXSRJGVZTLW-IMFGXOCKSA-N 1 3 361.505 2.755 20 0 FFADHO O=C(N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026024 971916917 /nfs/dbraw/zinc/91/69/17/971916917.db2.gz OIHQCAJFRPHXMK-MSOLQXFVSA-N 1 3 359.539 2.657 20 0 FFADHO CCc1cccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974607533 972055319 /nfs/dbraw/zinc/05/53/19/972055319.db2.gz SZMKCUNAAUAQFZ-NSISKUIASA-N 1 3 357.542 2.916 20 0 FFADHO CCc1cccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974607533 972055324 /nfs/dbraw/zinc/05/53/24/972055324.db2.gz SZMKCUNAAUAQFZ-NSISKUIASA-N 1 3 357.542 2.916 20 0 FFADHO CCOc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)n1 ZINC000654852068 959025299 /nfs/dbraw/zinc/02/52/99/959025299.db2.gz UWFZNLWRIPPNBG-UHFFFAOYSA-N 1 3 360.502 2.615 20 0 FFADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Nc2ccncc2)cc1 ZINC000655350751 959795431 /nfs/dbraw/zinc/79/54/31/959795431.db2.gz JBHIXGDHMRZDSH-PMACEKPBSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Nc2ccncc2)cc1 ZINC000655350751 959795438 /nfs/dbraw/zinc/79/54/38/959795438.db2.gz JBHIXGDHMRZDSH-PMACEKPBSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1)N1CCCCC1 ZINC000655725266 961178931 /nfs/dbraw/zinc/17/89/31/961178931.db2.gz QBJAOMSNZNFSIE-NRFANRHFSA-N 1 3 371.525 2.656 20 0 FFADHO CCN1CCN(c2ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c(C)c2)CC1 ZINC000655739056 961211516 /nfs/dbraw/zinc/21/15/16/961211516.db2.gz VHPIKPHEYVWRCI-NRFANRHFSA-N 1 3 372.557 2.802 20 0 FFADHO CCN1CCN(c2ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c(C)c2)CC1 ZINC000655739057 961213407 /nfs/dbraw/zinc/21/34/07/961213407.db2.gz VHPIKPHEYVWRCI-OAQYLSRUSA-N 1 3 372.557 2.802 20 0 FFADHO Cc1cccc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)c1F ZINC001275999247 1013267045 /nfs/dbraw/zinc/26/70/45/1013267045.db2.gz JGQHFWDBAUROLI-OAQYLSRUSA-N 1 3 361.505 2.900 20 0 FFADHO c1cc(-c2noc(C3(CC4CCC4)CC[NH2+]CC3)n2)nc2c1CNCC2 ZINC001211503237 963254624 /nfs/dbraw/zinc/25/46/24/963254624.db2.gz UETGXAZEJNYGCN-UHFFFAOYSA-N 1 3 353.470 2.589 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]Cc3ccc(OCC(F)F)cc3)c2)nn1 ZINC000873218318 1013430992 /nfs/dbraw/zinc/43/09/92/1013430992.db2.gz CIDMLGKDUQNBIN-UHFFFAOYSA-N 1 3 373.407 2.660 20 0 FFADHO C[C@@H](CCCc1cccnc1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243199 1013442520 /nfs/dbraw/zinc/44/25/20/1013442520.db2.gz JIKPAXRAAAJTDK-INIZCTEOSA-N 1 3 350.470 2.622 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)c2)nn1 ZINC000873242586 1013442640 /nfs/dbraw/zinc/44/26/40/1013442640.db2.gz BVLKZIBLELOTJH-MJGOQNOKSA-N 1 3 362.481 2.937 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCN(C)C1 ZINC000664324448 964124423 /nfs/dbraw/zinc/12/44/23/964124423.db2.gz SOIFCIRTSCKKQR-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCN(C)C1 ZINC000664324448 964124430 /nfs/dbraw/zinc/12/44/30/964124430.db2.gz SOIFCIRTSCKKQR-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000664324445 964124518 /nfs/dbraw/zinc/12/45/18/964124518.db2.gz SOIFCIRTSCKKQR-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000664324445 964124522 /nfs/dbraw/zinc/12/45/22/964124522.db2.gz SOIFCIRTSCKKQR-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664407353 964280666 /nfs/dbraw/zinc/28/06/66/964280666.db2.gz WRKKNDSCQVCPRW-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664407353 964280678 /nfs/dbraw/zinc/28/06/78/964280678.db2.gz WRKKNDSCQVCPRW-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO Cc1oncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001087165708 964469562 /nfs/dbraw/zinc/46/95/62/964469562.db2.gz INHJOHRTKRNHLB-AYOQOUSVSA-N 1 3 362.518 2.573 20 0 FFADHO Cc1oncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001087165708 964469571 /nfs/dbraw/zinc/46/95/71/964469571.db2.gz INHJOHRTKRNHLB-AYOQOUSVSA-N 1 3 362.518 2.573 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000647192862 964663964 /nfs/dbraw/zinc/66/39/64/964663964.db2.gz ATKCGHOFRIUOPC-RBUKOAKNSA-N 1 3 372.513 2.846 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000891703822 964902164 /nfs/dbraw/zinc/90/21/64/964902164.db2.gz ILBGXXLTNNLIHQ-QGZVFWFLSA-N 1 3 371.529 2.535 20 0 FFADHO CCN(C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664709342 965015223 /nfs/dbraw/zinc/01/52/23/965015223.db2.gz BKKAXVJPVUINFQ-PMACEKPBSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664709342 965015231 /nfs/dbraw/zinc/01/52/31/965015231.db2.gz BKKAXVJPVUINFQ-PMACEKPBSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664709344 965015279 /nfs/dbraw/zinc/01/52/79/965015279.db2.gz BKKAXVJPVUINFQ-VQTJNVASSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664709344 965015288 /nfs/dbraw/zinc/01/52/88/965015288.db2.gz BKKAXVJPVUINFQ-VQTJNVASSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)C1=CCN(C)CC1 ZINC000891764846 965040553 /nfs/dbraw/zinc/04/05/53/965040553.db2.gz HYVDBZMRJWQPAQ-QKLQHJQFSA-N 1 3 362.562 2.966 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001087175263 965094127 /nfs/dbraw/zinc/09/41/27/965094127.db2.gz DNSIKFWFKPATDL-PBHICJAKSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](CNCc2ccns2)C1 ZINC001087176938 965185580 /nfs/dbraw/zinc/18/55/80/965185580.db2.gz XAYBUECBHUKSSS-IKGGRYGDSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](CNCc2ccns2)C1 ZINC001087176938 965185587 /nfs/dbraw/zinc/18/55/87/965185587.db2.gz XAYBUECBHUKSSS-IKGGRYGDSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001266944883 965354231 /nfs/dbraw/zinc/35/42/31/965354231.db2.gz SUPYIUBKQHISQO-FNHZYXHNSA-N 1 3 365.468 2.614 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638740066 965722258 /nfs/dbraw/zinc/72/22/58/965722258.db2.gz YBKXSCXYPJKMGO-UHFFFAOYSA-N 1 3 374.451 2.563 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000892260196 966489376 /nfs/dbraw/zinc/48/93/76/966489376.db2.gz IGCKYEGCZYZNSG-BTHPGYMESA-N 1 3 356.514 2.700 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000892260196 966489383 /nfs/dbraw/zinc/48/93/83/966489383.db2.gz IGCKYEGCZYZNSG-BTHPGYMESA-N 1 3 356.514 2.700 20 0 FFADHO Cc1ncccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC[C@H]1C ZINC001087212860 966582656 /nfs/dbraw/zinc/58/26/56/966582656.db2.gz TUIIWACBEAKJEF-HLIPFELVSA-N 1 3 358.530 2.591 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978084 967190373 /nfs/dbraw/zinc/19/03/73/967190373.db2.gz MKXVQCXEKKMVSU-VQTJNVASSA-N 1 3 373.541 2.802 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC001029313766 967690910 /nfs/dbraw/zinc/69/09/10/967690910.db2.gz NWPJJDNNEDHXOH-FKRBRYKNSA-N 1 3 371.500 2.828 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC001029313766 967690913 /nfs/dbraw/zinc/69/09/13/967690913.db2.gz NWPJJDNNEDHXOH-FKRBRYKNSA-N 1 3 371.500 2.828 20 0 FFADHO Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC001023377898 967759258 /nfs/dbraw/zinc/75/92/58/967759258.db2.gz XCRSQLQMXUOGKI-NZSAHSFTSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC001023377898 967759269 /nfs/dbraw/zinc/75/92/69/967759269.db2.gz XCRSQLQMXUOGKI-NZSAHSFTSA-N 1 3 361.505 2.803 20 0 FFADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650765089 967765859 /nfs/dbraw/zinc/76/58/59/967765859.db2.gz ZDKWPKVYPFQXKA-KGVIQGDOSA-N 1 3 365.477 2.608 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001075813642 968179157 /nfs/dbraw/zinc/17/91/57/968179157.db2.gz RKKDJTQOJHMJRT-FUACKWKQSA-N 1 3 367.537 2.963 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001075813642 968179161 /nfs/dbraw/zinc/17/91/61/968179161.db2.gz RKKDJTQOJHMJRT-FUACKWKQSA-N 1 3 367.537 2.963 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1ccc(OC)cc1 ZINC001087578538 968234174 /nfs/dbraw/zinc/23/41/74/968234174.db2.gz AORQCLNDGZTFGR-UWHLTILDSA-N 1 3 373.541 2.895 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1ccc(OC)cc1 ZINC001087578538 968234182 /nfs/dbraw/zinc/23/41/82/968234182.db2.gz AORQCLNDGZTFGR-UWHLTILDSA-N 1 3 373.541 2.895 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC/C(Cl)=C\Cl)C1 ZINC001112518903 968581914 /nfs/dbraw/zinc/58/19/14/968581914.db2.gz IUKGFOMJZPUOGZ-QFYPQXEXSA-N 1 3 362.345 2.866 20 0 FFADHO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659028483 969640942 /nfs/dbraw/zinc/64/09/42/969640942.db2.gz OHRGQZOQRWYDIE-IBGZPJMESA-N 1 3 360.502 2.735 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659029169 969644462 /nfs/dbraw/zinc/64/44/62/969644462.db2.gz AUMAGMKFSWLTEK-FXAWDEMLSA-N 1 3 374.529 2.981 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659029169 969644467 /nfs/dbraw/zinc/64/44/67/969644467.db2.gz AUMAGMKFSWLTEK-FXAWDEMLSA-N 1 3 374.529 2.981 20 0 FFADHO C[NH+](C)CC1(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCCC1 ZINC000659037208 969656738 /nfs/dbraw/zinc/65/67/38/969656738.db2.gz HTACKYZXFFVBGT-GOSISDBHSA-N 1 3 360.502 2.591 20 0 FFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659039151 969659003 /nfs/dbraw/zinc/65/90/03/969659003.db2.gz HLRVGTYPYBNHIA-HXUWFJFHSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNCc1c(F)cccc1F ZINC001104600057 969908195 /nfs/dbraw/zinc/90/81/95/969908195.db2.gz RGXPYJLXHBHILK-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659426727 969917759 /nfs/dbraw/zinc/91/77/59/969917759.db2.gz BODYYTLVOUPCIZ-NHCUHLMSSA-N 1 3 370.541 2.682 20 0 FFADHO Cc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001104680707 970090973 /nfs/dbraw/zinc/09/09/73/970090973.db2.gz VMSGUGDNBLDDCV-SFHLNBCPSA-N 1 3 357.542 2.911 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665367441 970402990 /nfs/dbraw/zinc/40/29/90/970402990.db2.gz XSTLQFWABVNHAO-GOSISDBHSA-N 1 3 364.509 2.772 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c1 ZINC001088106243 972810387 /nfs/dbraw/zinc/81/03/87/972810387.db2.gz RSGIOBATPZYWLC-YHYVQYDKSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c1 ZINC001088106243 972810399 /nfs/dbraw/zinc/81/03/99/972810399.db2.gz RSGIOBATPZYWLC-YHYVQYDKSA-N 1 3 369.553 2.926 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088129750 972976729 /nfs/dbraw/zinc/97/67/29/972976729.db2.gz DCGCBQQDCZNPMX-PEFZHRCASA-N 1 3 353.938 2.782 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088129750 972976733 /nfs/dbraw/zinc/97/67/33/972976733.db2.gz DCGCBQQDCZNPMX-PEFZHRCASA-N 1 3 353.938 2.782 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000897299779 974044656 /nfs/dbraw/zinc/04/46/56/974044656.db2.gz QDVJXCXFAVLUCH-LJQANCHMSA-N 1 3 359.514 2.821 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000897299779 974044661 /nfs/dbraw/zinc/04/46/61/974044661.db2.gz QDVJXCXFAVLUCH-LJQANCHMSA-N 1 3 359.514 2.821 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 ZINC000665764019 974093105 /nfs/dbraw/zinc/09/31/05/974093105.db2.gz RPEPLPGKUVYTBW-IRXDYDNUSA-N 1 3 366.525 2.670 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)Cc1cccc(F)c1 ZINC000665764019 974093111 /nfs/dbraw/zinc/09/31/11/974093111.db2.gz RPEPLPGKUVYTBW-IRXDYDNUSA-N 1 3 366.525 2.670 20 0 FFADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(C(C)(C)N)no3)c2)CC1 ZINC000662802346 974113200 /nfs/dbraw/zinc/11/32/00/974113200.db2.gz NYAYNUDPRNQESG-UHFFFAOYSA-N 1 3 371.485 2.651 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000652284012 974771134 /nfs/dbraw/zinc/77/11/34/974771134.db2.gz CRPRGZZFPUQUPC-UHFFFAOYSA-N 1 3 372.488 2.819 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000652290173 974775670 /nfs/dbraw/zinc/77/56/70/974775670.db2.gz RMRKNUNBBKLUHH-HXUWFJFHSA-N 1 3 370.497 2.517 20 0 FFADHO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662153020 975269490 /nfs/dbraw/zinc/26/94/90/975269490.db2.gz MAKFFSSKTJJMAW-HXUWFJFHSA-N 1 3 373.541 2.862 20 0 FFADHO COc1ccccc1N1CC[C@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662293050 975407395 /nfs/dbraw/zinc/40/73/95/975407395.db2.gz JBLDQXGZHOIZRW-HKUYNNGSSA-N 1 3 357.498 2.512 20 0 FFADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293460 975407852 /nfs/dbraw/zinc/40/78/52/975407852.db2.gz SFEYIRYOOBAQAZ-YLJYHZDGSA-N 1 3 355.526 2.671 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NCCCOC1CCCCC1 ZINC000662298715 975411874 /nfs/dbraw/zinc/41/18/74/975411874.db2.gz XHADRQJHTUKSEG-IBGZPJMESA-N 1 3 365.562 2.554 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297264 975414320 /nfs/dbraw/zinc/41/43/20/975414320.db2.gz OVCZGPLBQFRVEI-YJBOKZPZSA-N 1 3 372.513 2.684 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H](C[NH3+])CC(C)C)cc2)CC1 ZINC000662383889 975466671 /nfs/dbraw/zinc/46/66/71/975466671.db2.gz IJJNRHOPZIHAKO-IBGZPJMESA-N 1 3 360.546 2.774 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)CC[N@@H+]1Cc1ccsc1 ZINC001088737142 975669926 /nfs/dbraw/zinc/66/99/26/975669926.db2.gz CYJOANMGLVCUSD-PBHICJAKSA-N 1 3 367.478 2.722 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)CC[N@H+]1Cc1ccsc1 ZINC001088737142 975669930 /nfs/dbraw/zinc/66/99/30/975669930.db2.gz CYJOANMGLVCUSD-PBHICJAKSA-N 1 3 367.478 2.722 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001027891730 975722737 /nfs/dbraw/zinc/72/27/37/975722737.db2.gz GOMGLQMWRZJTBO-TYCQWZJGSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001027891730 975722742 /nfs/dbraw/zinc/72/27/42/975722742.db2.gz GOMGLQMWRZJTBO-TYCQWZJGSA-N 1 3 355.526 2.596 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001268063938 975990640 /nfs/dbraw/zinc/99/06/40/975990640.db2.gz OCEJFJWCXQNDQI-DHSIGJKJSA-N 1 3 353.457 2.632 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001268063938 975990648 /nfs/dbraw/zinc/99/06/48/975990648.db2.gz OCEJFJWCXQNDQI-DHSIGJKJSA-N 1 3 353.457 2.632 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001167828151 976161387 /nfs/dbraw/zinc/16/13/87/976161387.db2.gz WTGIHSBQVNDNDD-TZIWHRDSSA-N 1 3 367.578 2.846 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000898584677 976555941 /nfs/dbraw/zinc/55/59/41/976555941.db2.gz HSSUYJKULUXJDZ-FXAWDEMLSA-N 1 3 360.546 2.744 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000898584677 976555952 /nfs/dbraw/zinc/55/59/52/976555952.db2.gz HSSUYJKULUXJDZ-FXAWDEMLSA-N 1 3 360.546 2.744 20 0 FFADHO COc1ccc([C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000876710147 1014358889 /nfs/dbraw/zinc/35/88/89/1014358889.db2.gz FGZLAZFKLFBBBQ-VQXSACIRSA-N 1 3 357.498 2.504 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000876780640 1014388912 /nfs/dbraw/zinc/38/89/12/1014388912.db2.gz XMMXEPUYRLCNOI-AHKGRUIUSA-N 1 3 356.514 2.631 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438850886 977450308 /nfs/dbraw/zinc/45/03/08/977450308.db2.gz IXQHODUEKMWREB-SJORKVTESA-N 1 3 361.534 2.637 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000663846766 977513037 /nfs/dbraw/zinc/51/30/37/977513037.db2.gz KXNSPWXIHUFPGM-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000663846766 977513040 /nfs/dbraw/zinc/51/30/40/977513040.db2.gz KXNSPWXIHUFPGM-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000663846769 977513058 /nfs/dbraw/zinc/51/30/58/977513058.db2.gz KXNSPWXIHUFPGM-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000663846769 977513064 /nfs/dbraw/zinc/51/30/64/977513064.db2.gz KXNSPWXIHUFPGM-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccccc1C(F)(F)F ZINC000663857582 977658426 /nfs/dbraw/zinc/65/84/26/977658426.db2.gz YAWATOZELAFFTO-AWEZNQCLSA-N 1 3 374.451 2.777 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccccc1C(F)(F)F ZINC000663857582 977658429 /nfs/dbraw/zinc/65/84/29/977658429.db2.gz YAWATOZELAFFTO-AWEZNQCLSA-N 1 3 374.451 2.777 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112121312 977785520 /nfs/dbraw/zinc/78/55/20/977785520.db2.gz GTLAECUEMHVTSU-RBSFLKMASA-N 1 3 351.457 2.886 20 0 FFADHO CCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C(F)(F)F ZINC001112123449 977956710 /nfs/dbraw/zinc/95/67/10/977956710.db2.gz JWECNUZQWXVYGE-ZIAGYGMSSA-N 1 3 351.457 2.886 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000664125682 978049013 /nfs/dbraw/zinc/04/90/13/978049013.db2.gz DYZSBFZKBAVOPN-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000664125682 978049022 /nfs/dbraw/zinc/04/90/22/978049022.db2.gz DYZSBFZKBAVOPN-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001076083532 979102033 /nfs/dbraw/zinc/10/20/33/979102033.db2.gz FNYJKZUGUBWVLQ-HBMCJLEFSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001076083532 979102038 /nfs/dbraw/zinc/10/20/38/979102038.db2.gz FNYJKZUGUBWVLQ-HBMCJLEFSA-N 1 3 359.558 2.974 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076206653 979224962 /nfs/dbraw/zinc/22/49/62/979224962.db2.gz ZZSYDKOBAWTPTN-AZUAARDMSA-N 1 3 359.489 2.509 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001168124768 979591846 /nfs/dbraw/zinc/59/18/46/979591846.db2.gz YNUDTFYYERTTEV-QUCCMNQESA-N 1 3 359.514 2.564 20 0 FFADHO Cc1ccc2cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2n1 ZINC000666008025 979770364 /nfs/dbraw/zinc/77/03/64/979770364.db2.gz CSGKKHSAMSENTJ-INIZCTEOSA-N 1 3 357.502 2.937 20 0 FFADHO Cc1ccc2cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2n1 ZINC000666008025 979770367 /nfs/dbraw/zinc/77/03/67/979770367.db2.gz CSGKKHSAMSENTJ-INIZCTEOSA-N 1 3 357.502 2.937 20 0 FFADHO CC(C)[C@H]([NH3+])C(C)(C)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000904103164 980184936 /nfs/dbraw/zinc/18/49/36/980184936.db2.gz PWGJPICRSPVXTG-KRWDZBQOSA-N 1 3 372.517 2.534 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccccc1OCc1cccnc1)CC2 ZINC000904391091 980262020 /nfs/dbraw/zinc/26/20/20/980262020.db2.gz CVDRFDKXKNFTLN-HXUWFJFHSA-N 1 3 367.493 2.990 20 0 FFADHO C[C@H]1NCCn2c(-c3nc(-c4ccccc4OCC[NH+](C)C)no3)ccc21 ZINC000904603177 980307635 /nfs/dbraw/zinc/30/76/35/980307635.db2.gz DCTLLPINLKROGP-CQSZACIVSA-N 1 3 367.453 2.810 20 0 FFADHO O[C@@H](CCC1(O)CCC1)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000905263266 980408473 /nfs/dbraw/zinc/40/84/73/980408473.db2.gz LUUBXRBNKFFGIQ-SFTDATJTSA-N 1 3 360.542 2.934 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)CC1(O)CCCC1 ZINC000905379672 980431156 /nfs/dbraw/zinc/43/11/56/980431156.db2.gz DOXOOQMPWNTZBT-RTWAWAEBSA-N 1 3 372.553 2.934 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905401488 980431568 /nfs/dbraw/zinc/43/15/68/980431568.db2.gz WUZYOKAWZQVXJV-GIVPXCGWSA-N 1 3 360.542 2.648 20 0 FFADHO Cc1ccncc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211914404 980756002 /nfs/dbraw/zinc/75/60/02/980756002.db2.gz AJTPRXLMBYKCQH-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ccncc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211914404 980756008 /nfs/dbraw/zinc/75/60/08/980756008.db2.gz AJTPRXLMBYKCQH-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664706 981196288 /nfs/dbraw/zinc/19/62/88/981196288.db2.gz KOXNAIJOZPECHL-LJQANCHMSA-N 1 3 373.545 2.562 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664706 981196291 /nfs/dbraw/zinc/19/62/91/981196291.db2.gz KOXNAIJOZPECHL-LJQANCHMSA-N 1 3 373.545 2.562 20 0 FFADHO CC(C)(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N1CCCCC1 ZINC000907287956 981224656 /nfs/dbraw/zinc/22/46/56/981224656.db2.gz KGZIICADKBAURP-FQEVSTJZSA-N 1 3 373.541 2.524 20 0 FFADHO CC(C)(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N1CCCCC1 ZINC000907287956 981224662 /nfs/dbraw/zinc/22/46/62/981224662.db2.gz KGZIICADKBAURP-FQEVSTJZSA-N 1 3 373.541 2.524 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4c(c3)CCC4)[C@@H]2C)CC[N@@H+]1C ZINC001088579106 981292042 /nfs/dbraw/zinc/29/20/42/981292042.db2.gz OADJUZRPBMUCEC-YPVJZLTNSA-N 1 3 369.553 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4c(c3)CCC4)[C@@H]2C)CC[N@H+]1C ZINC001088579106 981292046 /nfs/dbraw/zinc/29/20/46/981292046.db2.gz OADJUZRPBMUCEC-YPVJZLTNSA-N 1 3 369.553 2.985 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1OC1CC1 ZINC001088667116 982256291 /nfs/dbraw/zinc/25/62/91/982256291.db2.gz XTYBTDAQSWQNBE-UXPWSPDFSA-N 1 3 371.525 2.791 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1OC1CC1 ZINC001088667116 982256296 /nfs/dbraw/zinc/25/62/96/982256296.db2.gz XTYBTDAQSWQNBE-UXPWSPDFSA-N 1 3 371.525 2.791 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654659943 1014827181 /nfs/dbraw/zinc/82/71/81/1014827181.db2.gz PBGBHDMKLUXHOQ-PUZFROQSSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000911947149 983923098 /nfs/dbraw/zinc/92/30/98/983923098.db2.gz XEJDWSQHTDOMPH-UHFFFAOYSA-N 1 3 352.482 2.857 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000913096401 984182673 /nfs/dbraw/zinc/18/26/73/984182673.db2.gz AERLGAINHISSAF-LAUBAEHRSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000878383654 1015017386 /nfs/dbraw/zinc/01/73/86/1015017386.db2.gz AJMUOJPOQNQJIH-MKWLTTDUSA-N 1 3 368.521 2.971 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOCC)CC2 ZINC001107425937 984526565 /nfs/dbraw/zinc/52/65/65/984526565.db2.gz ALQGEWHFLWYQKY-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOCC)CC2 ZINC001107425937 984526569 /nfs/dbraw/zinc/52/65/69/984526569.db2.gz ALQGEWHFLWYQKY-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669405707 984535890 /nfs/dbraw/zinc/53/58/90/984535890.db2.gz PTWWDDQSPNMGLD-IIBYNOLFSA-N 1 3 364.493 2.925 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2)C1CC1 ZINC001107438539 984538701 /nfs/dbraw/zinc/53/87/01/984538701.db2.gz DPROIIUQCFSZGH-ZIFCJYIRSA-N 1 3 369.500 2.733 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2)C1CC1 ZINC001107438539 984538706 /nfs/dbraw/zinc/53/87/06/984538706.db2.gz DPROIIUQCFSZGH-ZIFCJYIRSA-N 1 3 369.500 2.733 20 0 FFADHO Cc1ccncc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438489 984538863 /nfs/dbraw/zinc/53/88/63/984538863.db2.gz BLCMONRMEFPEGN-RZUBCFFCSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1ccncc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438489 984538867 /nfs/dbraw/zinc/53/88/67/984538867.db2.gz BLCMONRMEFPEGN-RZUBCFFCSA-N 1 3 370.541 2.591 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438486 984538950 /nfs/dbraw/zinc/53/89/50/984538950.db2.gz BKJSALQWMLNNKK-SVFBPWRDSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438486 984538956 /nfs/dbraw/zinc/53/89/56/984538956.db2.gz BKJSALQWMLNNKK-SVFBPWRDSA-N 1 3 365.562 2.504 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669483625 984651740 /nfs/dbraw/zinc/65/17/40/984651740.db2.gz FFRDZBJUCZMPCV-PMACEKPBSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccsc2)CC3)C1 ZINC001107549676 984667652 /nfs/dbraw/zinc/66/76/52/984667652.db2.gz DECCYFWHVALNOR-YVWKXTFCSA-N 1 3 361.555 2.951 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2ccsc2)CC3)C1 ZINC001107549676 984667653 /nfs/dbraw/zinc/66/76/53/984667653.db2.gz DECCYFWHVALNOR-YVWKXTFCSA-N 1 3 361.555 2.951 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCCF)C2)CCC1 ZINC001112113544 984725249 /nfs/dbraw/zinc/72/52/49/984725249.db2.gz ZHIYKUDSVLLBMN-ZIAGYGMSSA-N 1 3 367.431 2.589 20 0 FFADHO CC1(C)CN(C[C@@H](C[N@@H+]2CC[C@H](O)C(C)(C)C2)C2CCCC2)CC[C@H]1O ZINC000878482197 1015064077 /nfs/dbraw/zinc/06/40/77/1015064077.db2.gz MSWASRNUAKNVHP-ACDBMABISA-N 1 3 366.590 2.978 20 0 FFADHO CC1(C)CN(C[C@@H](C[N@H+]2CC[C@H](O)C(C)(C)C2)C2CCCC2)CC[C@H]1O ZINC000878482197 1015064089 /nfs/dbraw/zinc/06/40/89/1015064089.db2.gz MSWASRNUAKNVHP-ACDBMABISA-N 1 3 366.590 2.978 20 0 FFADHO CC1(C)C[N@H+](C[C@@H](CN2CC[C@H](O)C(C)(C)C2)C2CCCC2)CC[C@H]1O ZINC000878482197 1015064098 /nfs/dbraw/zinc/06/40/98/1015064098.db2.gz MSWASRNUAKNVHP-ACDBMABISA-N 1 3 366.590 2.978 20 0 FFADHO CC1(C)C[N@@H+](C[C@@H](CN2CC[C@H](O)C(C)(C)C2)C2CCCC2)CC[C@H]1O ZINC000878482197 1015064104 /nfs/dbraw/zinc/06/41/04/1015064104.db2.gz MSWASRNUAKNVHP-ACDBMABISA-N 1 3 366.590 2.978 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000764930523 984826456 /nfs/dbraw/zinc/82/64/56/984826456.db2.gz AUCYFZCCBJUQTF-ZWKOTPCHSA-N 1 3 355.530 2.857 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921529288 985195609 /nfs/dbraw/zinc/19/56/09/985195609.db2.gz ZSRWNWGAQAWSQN-UHFFFAOYSA-N 1 3 354.498 2.991 20 0 FFADHO Cc1cccc(CCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001032411605 985259942 /nfs/dbraw/zinc/25/99/42/985259942.db2.gz SARCUTHWVCUPLK-BVOGOJNSSA-N 1 3 355.526 2.553 20 0 FFADHO Cc1cccc(CCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001032411605 985259946 /nfs/dbraw/zinc/25/99/46/985259946.db2.gz SARCUTHWVCUPLK-BVOGOJNSSA-N 1 3 355.526 2.553 20 0 FFADHO Cn1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c(C2CCCC2)n1 ZINC000921626717 985501863 /nfs/dbraw/zinc/50/18/63/985501863.db2.gz BHVNAIXYNUXPEC-UHFFFAOYSA-N 1 3 359.562 2.726 20 0 FFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188788927 985508793 /nfs/dbraw/zinc/50/87/93/985508793.db2.gz BSUMDSYQDXEYEV-UHFFFAOYSA-N 1 3 369.513 2.607 20 0 FFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188788927 985508805 /nfs/dbraw/zinc/50/88/05/985508805.db2.gz BSUMDSYQDXEYEV-UHFFFAOYSA-N 1 3 369.513 2.607 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1cc2ccccc2s1 ZINC001089038987 986053723 /nfs/dbraw/zinc/05/37/23/986053723.db2.gz SAJKVUZXOPZAIP-HFTRVMKXSA-N 1 3 357.523 2.932 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1cc2ccccc2s1 ZINC001089038987 986053729 /nfs/dbraw/zinc/05/37/29/986053729.db2.gz SAJKVUZXOPZAIP-HFTRVMKXSA-N 1 3 357.523 2.932 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106111969 986533574 /nfs/dbraw/zinc/53/35/74/986533574.db2.gz UJXDAGBJMVUTJJ-LFFSCZNKSA-N 1 3 362.345 2.862 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106111969 986533578 /nfs/dbraw/zinc/53/35/78/986533578.db2.gz UJXDAGBJMVUTJJ-LFFSCZNKSA-N 1 3 362.345 2.862 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000088698576 986549779 /nfs/dbraw/zinc/54/97/79/986549779.db2.gz VPIBMQAZHDANNV-IBGZPJMESA-N 1 3 374.529 2.539 20 0 FFADHO COc1cc2c(cc1OC)C(C)(C)N(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903784974 986894332 /nfs/dbraw/zinc/89/43/32/986894332.db2.gz SWSJCFFDIHLPMF-HRAATJIYSA-N 1 3 360.498 2.566 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715061219 986931214 /nfs/dbraw/zinc/93/12/14/986931214.db2.gz KZKCOFBBHFEAJS-OTWHNJEPSA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715061219 986931219 /nfs/dbraw/zinc/93/12/19/986931219.db2.gz KZKCOFBBHFEAJS-OTWHNJEPSA-N 1 3 361.555 2.580 20 0 FFADHO COc1ccc([C@H]2C[C@@H](N3CCN(CC[NH+]4CCCC4)CC3)CCO2)cc1 ZINC001168664652 986964952 /nfs/dbraw/zinc/96/49/52/986964952.db2.gz IRQXSQBLESAQMN-RBBKRZOGSA-N 1 3 373.541 2.629 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC[NH+](C)CC1 ZINC000672884201 987647952 /nfs/dbraw/zinc/64/79/52/987647952.db2.gz OIRMCAJEGFRFET-ABSDTBQOSA-N 1 3 358.530 2.679 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212498008 987778004 /nfs/dbraw/zinc/77/80/04/987778004.db2.gz YXSKXASOCHKQNF-ODWICZQRSA-N 1 3 365.562 2.669 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212498008 987778007 /nfs/dbraw/zinc/77/80/07/987778007.db2.gz YXSKXASOCHKQNF-ODWICZQRSA-N 1 3 365.562 2.669 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106339828 987981731 /nfs/dbraw/zinc/98/17/31/987981731.db2.gz BUJUHVURFHXHDA-HBMOZRESSA-N 1 3 350.334 2.720 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106339828 987981739 /nfs/dbraw/zinc/98/17/39/987981739.db2.gz BUJUHVURFHXHDA-HBMOZRESSA-N 1 3 350.334 2.720 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)sn1 ZINC001085196522 988265474 /nfs/dbraw/zinc/26/54/74/988265474.db2.gz CJOFHIZGDFVISU-KURKYZTESA-N 1 3 364.559 2.841 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000915323971 988435793 /nfs/dbraw/zinc/43/57/93/988435793.db2.gz NPVHBVWWODHRRD-UHFFFAOYSA-N 1 3 373.545 2.823 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@@H]1C(C)C ZINC000922392379 988553160 /nfs/dbraw/zinc/55/31/60/988553160.db2.gz DGNRBRULXIMQPR-JBPLPALLSA-N 1 3 369.509 2.900 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@@H]1C(C)C ZINC000922392379 988553168 /nfs/dbraw/zinc/55/31/68/988553168.db2.gz DGNRBRULXIMQPR-JBPLPALLSA-N 1 3 369.509 2.900 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](CNCc2nc(C)cs2)[C@H](C)C1)[NH+](CC)CC ZINC001106660141 988604096 /nfs/dbraw/zinc/60/40/96/988604096.db2.gz COOKFPUELFHLLN-OIISXLGYSA-N 1 3 366.575 2.756 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1)N(C)C ZINC001106674074 988617981 /nfs/dbraw/zinc/61/79/81/988617981.db2.gz QHWSDFXKVUFCFY-NXHRZFHOSA-N 1 3 351.560 2.705 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCCc1ccccc1 ZINC001106704729 988726780 /nfs/dbraw/zinc/72/67/80/988726780.db2.gz AHUANVODCLPMPK-IEBWSBKVSA-N 1 3 354.498 2.659 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3cccc4cccnc43)C2)CC[N@@H+]1C ZINC001033093260 988775190 /nfs/dbraw/zinc/77/51/90/988775190.db2.gz CFZZDEWEAWBISI-LSTHTHJFSA-N 1 3 366.509 2.608 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3cccc4cccnc43)C2)CC[N@H+]1C ZINC001033093260 988775201 /nfs/dbraw/zinc/77/52/01/988775201.db2.gz CFZZDEWEAWBISI-LSTHTHJFSA-N 1 3 366.509 2.608 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C1CC1 ZINC000673773542 989244345 /nfs/dbraw/zinc/24/43/45/989244345.db2.gz RHBOOFAVGFMWQA-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C1CC1 ZINC000673773542 989244354 /nfs/dbraw/zinc/24/43/54/989244354.db2.gz RHBOOFAVGFMWQA-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)[N@H+](C)C1CC1 ZINC000673773710 989244489 /nfs/dbraw/zinc/24/44/89/989244489.db2.gz KLZVSDJRBQVQSF-ROUUACIJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000673773710 989244498 /nfs/dbraw/zinc/24/44/98/989244498.db2.gz KLZVSDJRBQVQSF-ROUUACIJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC[N@@H+]1C ZINC000673774933 989246533 /nfs/dbraw/zinc/24/65/33/989246533.db2.gz FQJQBWFVZPGKOG-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC[N@H+]1C ZINC000673774933 989246543 /nfs/dbraw/zinc/24/65/43/989246543.db2.gz FQJQBWFVZPGKOG-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCN(c2ccccc2)C1 ZINC000673856986 989330521 /nfs/dbraw/zinc/33/05/21/989330521.db2.gz AWLDIPZWZSIZPO-LJQANCHMSA-N 1 3 354.498 2.781 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCCC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000652142095 1015476098 /nfs/dbraw/zinc/47/60/98/1015476098.db2.gz IHWKFRTYWHDWGK-FQEVSTJZSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C(F)(F)F ZINC001099306951 989984423 /nfs/dbraw/zinc/98/44/23/989984423.db2.gz AQJPUNJQCWENFD-XJKCOSOUSA-N 1 3 367.431 2.586 20 0 FFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361130 1015538950 /nfs/dbraw/zinc/53/89/50/1015538950.db2.gz YNZVNRLVPMOHCW-NJDAHSKKSA-N 1 3 373.541 2.784 20 0 FFADHO C[C@H](CCN1CCC[C@@H](c2cc[nH]n2)C1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000676250807 990526698 /nfs/dbraw/zinc/52/66/98/990526698.db2.gz WHCPKZJZKJJRTQ-KURKYZTESA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CCN1CCC[C@@H](c2cc[nH]n2)C1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000676250807 990526705 /nfs/dbraw/zinc/52/67/05/990526705.db2.gz WHCPKZJZKJJRTQ-KURKYZTESA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000676250807 990526706 /nfs/dbraw/zinc/52/67/06/990526706.db2.gz WHCPKZJZKJJRTQ-KURKYZTESA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000676250807 990526714 /nfs/dbraw/zinc/52/67/14/990526714.db2.gz WHCPKZJZKJJRTQ-KURKYZTESA-N 1 3 356.518 2.970 20 0 FFADHO C[NH+](C)C[C@H]1CCCCN1C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000921142475 990996432 /nfs/dbraw/zinc/99/64/32/990996432.db2.gz DNHVGWCBNQFHSM-HXUWFJFHSA-N 1 3 374.598 2.942 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000921273913 991028932 /nfs/dbraw/zinc/02/89/32/991028932.db2.gz MMZPWGYUAKGQTM-IBGZPJMESA-N 1 3 374.598 2.845 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000921273913 991028941 /nfs/dbraw/zinc/02/89/41/991028941.db2.gz MMZPWGYUAKGQTM-IBGZPJMESA-N 1 3 374.598 2.845 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923446824 991146064 /nfs/dbraw/zinc/14/60/64/991146064.db2.gz OCZVIEZSNKXEJD-RBUKOAKNSA-N 1 3 359.514 2.566 20 0 FFADHO N[C@H](CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000237875343 991374670 /nfs/dbraw/zinc/37/46/70/991374670.db2.gz VRDGOIACUHCTRA-SJLPKXTDSA-N 1 3 367.449 2.624 20 0 FFADHO N[C@@H](CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000237903647 991384156 /nfs/dbraw/zinc/38/41/56/991384156.db2.gz VRDGOIACUHCTRA-AEFFLSMTSA-N 1 3 367.449 2.624 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC001106907735 991435540 /nfs/dbraw/zinc/43/55/40/991435540.db2.gz AGLFNGXXGNMJFB-ZHALLVOQSA-N 1 3 361.530 2.782 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2OC)[C@H](C)C1 ZINC001106907811 991435797 /nfs/dbraw/zinc/43/57/97/991435797.db2.gz DIUOLQVPZWKACQ-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1 ZINC000879671265 1015630978 /nfs/dbraw/zinc/63/09/78/1015630978.db2.gz JXYINBVVXHRFLF-ZACQAIPSSA-N 1 3 369.431 2.892 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000446398419 991700850 /nfs/dbraw/zinc/70/08/50/991700850.db2.gz NNTDSOWYDRNIKE-JFIYKMOQSA-N 1 3 369.431 2.827 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)CC[C@H]1c1ccc(F)cc1 ZINC001079162250 991866874 /nfs/dbraw/zinc/86/68/74/991866874.db2.gz BSLCFVKSCFZIAI-XUVXKRRUSA-N 1 3 361.505 2.994 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1ccccc1F ZINC001079311412 992012473 /nfs/dbraw/zinc/01/24/73/992012473.db2.gz YYSYCJXOESVWHZ-PKOBYXMFSA-N 1 3 361.505 2.852 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C ZINC001079806600 992461164 /nfs/dbraw/zinc/46/11/64/992461164.db2.gz OBPCAUSWKXWNSD-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C ZINC001079806600 992461167 /nfs/dbraw/zinc/46/11/67/992461167.db2.gz OBPCAUSWKXWNSD-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001080021925 992657144 /nfs/dbraw/zinc/65/71/44/992657144.db2.gz YQAFEIYKHNQUQK-OIISXLGYSA-N 1 3 357.489 2.589 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001080021925 992657146 /nfs/dbraw/zinc/65/71/46/992657146.db2.gz YQAFEIYKHNQUQK-OIISXLGYSA-N 1 3 357.489 2.589 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559072 993165022 /nfs/dbraw/zinc/16/50/22/993165022.db2.gz SPPMPPJXINVJHZ-OXQOHEQNSA-N 1 3 361.505 2.537 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080939639 993492270 /nfs/dbraw/zinc/49/22/70/993492270.db2.gz CYZCPWPHQDJZCR-FRFSOERESA-N 1 3 369.431 2.594 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080939639 993492275 /nfs/dbraw/zinc/49/22/75/993492275.db2.gz CYZCPWPHQDJZCR-FRFSOERESA-N 1 3 369.431 2.594 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512330839 993662341 /nfs/dbraw/zinc/66/23/41/993662341.db2.gz YNHRDRDXAPVOTR-FUHWJXTLSA-N 1 3 367.484 2.990 20 0 FFADHO Cc1cc(C)c(N2CC[C@H](N(C)CCCN(C)CC[NH+](C)C)C2=O)c(C)c1 ZINC000808781462 994259374 /nfs/dbraw/zinc/25/93/74/994259374.db2.gz HKNAYLPQIVETJJ-FQEVSTJZSA-N 1 3 374.573 2.532 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)C)CC1 ZINC001131522484 994363232 /nfs/dbraw/zinc/36/32/32/994363232.db2.gz KILHUPJXKWYZQS-MOPGFXCFSA-N 1 3 367.578 2.749 20 0 FFADHO C[C@H](Nc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1)[C@@H]1CNCCO1 ZINC001170571620 994414331 /nfs/dbraw/zinc/41/43/31/994414331.db2.gz NKKVYPWQWFUJFZ-WEYGHZABSA-N 1 3 368.525 2.954 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000810521045 994808069 /nfs/dbraw/zinc/80/80/69/994808069.db2.gz DGNUHNJWODAXMN-HGHGUNKESA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000810521045 994808073 /nfs/dbraw/zinc/80/80/73/994808073.db2.gz DGNUHNJWODAXMN-HGHGUNKESA-N 1 3 361.505 2.978 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC001082522582 994816650 /nfs/dbraw/zinc/81/66/50/994816650.db2.gz QOKLBNVPIIMZJD-VUKOWNLVSA-N 1 3 365.468 2.632 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC001082522582 994816653 /nfs/dbraw/zinc/81/66/53/994816653.db2.gz QOKLBNVPIIMZJD-VUKOWNLVSA-N 1 3 365.468 2.632 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810616382 994838679 /nfs/dbraw/zinc/83/86/79/994838679.db2.gz SCAZQHMENGQLIS-FQEVSTJZSA-N 1 3 367.484 2.928 20 0 FFADHO Cc1ccc(-c2noc([C@@H](C)N3CCN(C[C@@H]4CC[C@H]([NH3+])C4)CC3)n2)cc1 ZINC000903442692 1015895289 /nfs/dbraw/zinc/89/52/89/1015895289.db2.gz YOTHTAMNKULLGF-LMMKCTJWSA-N 1 3 369.513 2.851 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001082559482 994933101 /nfs/dbraw/zinc/93/31/01/994933101.db2.gz GNRGFXQYRBZUBX-NXOUGTEYSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001082562215 994945722 /nfs/dbraw/zinc/94/57/22/994945722.db2.gz XZGHMCYLCPNIDC-FZKQIMNGSA-N 1 3 367.896 2.900 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570155 994966676 /nfs/dbraw/zinc/96/66/76/994966676.db2.gz ARYPFDAPXSFLMT-MZMPZRCHSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082570155 994966688 /nfs/dbraw/zinc/96/66/88/994966688.db2.gz ARYPFDAPXSFLMT-MZMPZRCHSA-N 1 3 364.559 2.571 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1C ZINC001082575385 994997781 /nfs/dbraw/zinc/99/77/81/994997781.db2.gz BRAIUOBHLDOCTI-ZTNFWEORSA-N 1 3 361.530 2.526 20 0 FFADHO COc1ccc(C)cc1CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001082617282 995082495 /nfs/dbraw/zinc/08/24/95/995082495.db2.gz IDRBMAYECNVRGY-IEBWSBKVSA-N 1 3 371.525 2.569 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000811520234 995164162 /nfs/dbraw/zinc/16/41/62/995164162.db2.gz LQQLGIWSXCHASH-XLIONFOSSA-N 1 3 365.493 2.627 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000811520234 995164163 /nfs/dbraw/zinc/16/41/63/995164163.db2.gz LQQLGIWSXCHASH-XLIONFOSSA-N 1 3 365.493 2.627 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1 ZINC001082740900 995395274 /nfs/dbraw/zinc/39/52/74/995395274.db2.gz JRTUVPWKSYBNII-LVCYWYKZSA-N 1 3 357.542 2.712 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]Cc1ccccc1 ZINC001082743260 995401812 /nfs/dbraw/zinc/40/18/12/995401812.db2.gz QIJZNDAHFFJSFK-BLIXFSHQSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001170679247 995455987 /nfs/dbraw/zinc/45/59/87/995455987.db2.gz DMTBYPSXVUFUFS-LBPRGKRZSA-N 1 3 368.872 2.691 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001082783401 995491484 /nfs/dbraw/zinc/49/14/84/995491484.db2.gz WFDHVNZKFBDMPK-MISYRCLQSA-N 1 3 365.562 2.503 20 0 FFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000812992115 995593295 /nfs/dbraw/zinc/59/32/95/995593295.db2.gz UDSFJOQSEIANAT-FQEVSTJZSA-N 1 3 365.493 2.802 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)CC1 ZINC001082835212 995614548 /nfs/dbraw/zinc/61/45/48/995614548.db2.gz NJWCKSPUAHIFOC-OXQOHEQNSA-N 1 3 361.505 2.883 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082861643 995666810 /nfs/dbraw/zinc/66/68/10/995666810.db2.gz JMSGERSQMLWIJP-QWQRMKEZSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082861643 995666813 /nfs/dbraw/zinc/66/68/13/995666813.db2.gz JMSGERSQMLWIJP-QWQRMKEZSA-N 1 3 367.896 2.757 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001082863716 995671335 /nfs/dbraw/zinc/67/13/35/995671335.db2.gz UYQQBCWPOGHICC-CRAIPNDOSA-N 1 3 361.917 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1ccnc(Cl)c1 ZINC001082942020 995877197 /nfs/dbraw/zinc/87/71/97/995877197.db2.gz ZGWBLLLIDLLXDE-NVXWUHKLSA-N 1 3 364.921 2.548 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001082943541 995881265 /nfs/dbraw/zinc/88/12/65/995881265.db2.gz NLMCLVCGSVCKHS-AHRSYUTCSA-N 1 3 359.514 2.506 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1)[NH+]1CCCCC1 ZINC001082943776 995882558 /nfs/dbraw/zinc/88/25/58/995882558.db2.gz CRRFGZMXWGLAAM-KBAYOESNSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1)[NH+]1CCCC1 ZINC001082943786 995882923 /nfs/dbraw/zinc/88/29/23/995882923.db2.gz DLZJAJQOYCAYPK-AHRSYUTCSA-N 1 3 361.505 2.883 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)[C@@H]3C2)c1 ZINC001084422275 996521902 /nfs/dbraw/zinc/52/19/02/996521902.db2.gz SMFRKRQHZZDQFR-QHAWAJNXSA-N 1 3 355.526 2.902 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)c1 ZINC001084422275 996521906 /nfs/dbraw/zinc/52/19/06/996521906.db2.gz SMFRKRQHZZDQFR-QHAWAJNXSA-N 1 3 355.526 2.902 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]3C2)c(C)c1 ZINC001084428882 996528063 /nfs/dbraw/zinc/52/80/63/996528063.db2.gz AFMFVVFVUVUJKP-NJYVYQBISA-N 1 3 357.542 2.922 20 0 FFADHO Cc1ccc(CCN2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)cc1 ZINC001084484305 996603394 /nfs/dbraw/zinc/60/33/94/996603394.db2.gz NPFWZSTYTRBLCF-NHCUHLMSSA-N 1 3 367.537 2.699 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](CN2CCOC2=O)C1 ZINC000824451328 996942428 /nfs/dbraw/zinc/94/24/28/996942428.db2.gz SRVCCPXUOHBGNB-IBGZPJMESA-N 1 3 359.514 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](CN2CCOC2=O)C1 ZINC000824451328 996942437 /nfs/dbraw/zinc/94/24/37/996942437.db2.gz SRVCCPXUOHBGNB-IBGZPJMESA-N 1 3 359.514 2.919 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084831767 997581216 /nfs/dbraw/zinc/58/12/16/997581216.db2.gz YXDNSUBZFBURMP-SVFBPWRDSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831767 997581218 /nfs/dbraw/zinc/58/12/18/997581218.db2.gz YXDNSUBZFBURMP-SVFBPWRDSA-N 1 3 355.526 2.794 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000844224844 997715979 /nfs/dbraw/zinc/71/59/79/997715979.db2.gz JJVLTECQZDJQFN-QGZVFWFLSA-N 1 3 356.514 2.689 20 0 FFADHO C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1C ZINC000844642501 998054285 /nfs/dbraw/zinc/05/42/85/998054285.db2.gz JGZXLQMXCNJBNY-OVXIGLAJSA-N 1 3 359.514 2.580 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001144176422 998087891 /nfs/dbraw/zinc/08/78/91/998087891.db2.gz BSEOFTRLCSIPKO-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001144176422 998087900 /nfs/dbraw/zinc/08/79/00/998087900.db2.gz BSEOFTRLCSIPKO-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC001091036199 998252414 /nfs/dbraw/zinc/25/24/14/998252414.db2.gz ZHARSNQLAHCPEX-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC001091036199 998252426 /nfs/dbraw/zinc/25/24/26/998252426.db2.gz ZHARSNQLAHCPEX-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789137 1016200859 /nfs/dbraw/zinc/20/08/59/1016200859.db2.gz PTKXWXIBMCFFJM-QAPCUYQASA-N 1 3 359.514 2.712 20 0 FFADHO NCC1([C@H]2CCCC[N@@H+]2CCCN2C(=O)c3ccccc3C2=O)CCC1 ZINC000903815501 1016236075 /nfs/dbraw/zinc/23/60/75/1016236075.db2.gz RIMDBPXLONXXCJ-GOSISDBHSA-N 1 3 355.482 2.656 20 0 FFADHO NCC1([C@H]2CCCC[N@H+]2CCCN2C(=O)c3ccccc3C2=O)CCC1 ZINC000903815501 1016236080 /nfs/dbraw/zinc/23/60/80/1016236080.db2.gz RIMDBPXLONXXCJ-GOSISDBHSA-N 1 3 355.482 2.656 20 0 FFADHO Cc1cncc(CN2CCC(C3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CC3)CC2)c1 ZINC001000161864 1016254051 /nfs/dbraw/zinc/25/40/51/1016254051.db2.gz PPFCDTNDSYZAMA-YLJYHZDGSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cncc(CN2CCC(C3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CC3)CC2)c1 ZINC001000161864 1016254057 /nfs/dbraw/zinc/25/40/57/1016254057.db2.gz PPFCDTNDSYZAMA-YLJYHZDGSA-N 1 3 370.541 2.591 20 0 FFADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000733168796 998905258 /nfs/dbraw/zinc/90/52/58/998905258.db2.gz XNEZXJQPPQZBRZ-HXUWFJFHSA-N 1 3 360.546 2.533 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC001085217595 999184609 /nfs/dbraw/zinc/18/46/09/999184609.db2.gz IFCIKXSFCDJLTP-VAMGGRTRSA-N 1 3 358.530 2.781 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(OCC3CCCCC3)CC2)cnn1C ZINC000903889158 1016290630 /nfs/dbraw/zinc/29/06/30/1016290630.db2.gz PHRFMVSYCOSETJ-IBGZPJMESA-N 1 3 362.562 2.907 20 0 FFADHO CCc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)cs1 ZINC001085245663 999244011 /nfs/dbraw/zinc/24/40/11/999244011.db2.gz HAFPQZOCERYXIE-ZACQAIPSSA-N 1 3 364.559 2.707 20 0 FFADHO CCc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)cs1 ZINC001085245663 999244016 /nfs/dbraw/zinc/24/40/16/999244016.db2.gz HAFPQZOCERYXIE-ZACQAIPSSA-N 1 3 364.559 2.707 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085255045 999269678 /nfs/dbraw/zinc/26/96/78/999269678.db2.gz KZLSCIYQJGTHAK-GUDVDZBRSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085255045 999269681 /nfs/dbraw/zinc/26/96/81/999269681.db2.gz KZLSCIYQJGTHAK-GUDVDZBRSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085309406 999338082 /nfs/dbraw/zinc/33/80/82/999338082.db2.gz NNHPQWVIJDVDEQ-INDMIFKZSA-N 1 3 358.530 2.637 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085309406 999338087 /nfs/dbraw/zinc/33/80/87/999338087.db2.gz NNHPQWVIJDVDEQ-INDMIFKZSA-N 1 3 358.530 2.637 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2F)C1 ZINC001085393512 999454156 /nfs/dbraw/zinc/45/41/56/999454156.db2.gz ARDSBABABZMVGY-GDIGMMSISA-N 1 3 365.468 2.824 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2F)C1 ZINC001085393512 999454159 /nfs/dbraw/zinc/45/41/59/999454159.db2.gz ARDSBABABZMVGY-GDIGMMSISA-N 1 3 365.468 2.824 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000736641766 999563726 /nfs/dbraw/zinc/56/37/26/999563726.db2.gz MFABUXHLUVIJDZ-UHFFFAOYSA-N 1 3 362.477 2.816 20 0 FFADHO COc1ccc(CN2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)CC2=O)cc1 ZINC001168910530 1000008034 /nfs/dbraw/zinc/00/80/34/1000008034.db2.gz XRIZTZVJZXXMAD-HXUWFJFHSA-N 1 3 371.525 2.650 20 0 FFADHO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@@H](N(C)C)C3)CC2=O)cc1 ZINC001168910517 1000008158 /nfs/dbraw/zinc/00/81/58/1000008158.db2.gz XJGIQPKKDHYPML-GBESFXJTSA-N 1 3 359.514 2.649 20 0 FFADHO COc1ccc(CN2CC[C@H](N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2=O)cc1 ZINC001168910517 1000008160 /nfs/dbraw/zinc/00/81/60/1000008160.db2.gz XJGIQPKKDHYPML-GBESFXJTSA-N 1 3 359.514 2.649 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CCC(=O)N3Cc3ccncc3)CC1)C2 ZINC001169138835 1000025053 /nfs/dbraw/zinc/02/50/53/1000025053.db2.gz KBXNVNUSYMQLAF-PMOLBWCYSA-N 1 3 368.525 2.664 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CCC(=O)N3Cc3ccncc3)CC1)C2 ZINC001169138835 1000025054 /nfs/dbraw/zinc/02/50/54/1000025054.db2.gz KBXNVNUSYMQLAF-PMOLBWCYSA-N 1 3 368.525 2.664 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)[C@H](C)C2)cc1 ZINC001169140692 1000026647 /nfs/dbraw/zinc/02/66/47/1000026647.db2.gz LJCLDTLWZVLTDP-RZXSNQJFSA-N 1 3 371.525 2.605 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)[C@H](C)C2)cc1 ZINC001169140692 1000026649 /nfs/dbraw/zinc/02/66/49/1000026649.db2.gz LJCLDTLWZVLTDP-RZXSNQJFSA-N 1 3 371.525 2.605 20 0 FFADHO CCN1CCC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001169255898 1000036068 /nfs/dbraw/zinc/03/60/68/1000036068.db2.gz VSYCCFZLIIRWLF-GHTZIAJQSA-N 1 3 359.514 2.816 20 0 FFADHO CCN1CCC([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001169255898 1000036070 /nfs/dbraw/zinc/03/60/70/1000036070.db2.gz VSYCCFZLIIRWLF-GHTZIAJQSA-N 1 3 359.514 2.816 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)CO1 ZINC001169369334 1000042106 /nfs/dbraw/zinc/04/21/06/1000042106.db2.gz WBSVPPBCUVLCRX-WDSOQIARSA-N 1 3 350.503 2.507 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CO1 ZINC001169369334 1000042108 /nfs/dbraw/zinc/04/21/08/1000042108.db2.gz WBSVPPBCUVLCRX-WDSOQIARSA-N 1 3 350.503 2.507 20 0 FFADHO COC1CC[NH+](C2CCN(C3CC(C)(C)N(O)C(C)(C)C3)CC2)CC1 ZINC001170009108 1000574270 /nfs/dbraw/zinc/57/42/70/1000574270.db2.gz MXOQZPXJJYCMMJ-UHFFFAOYSA-N 1 3 353.551 2.972 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)[C@@H](C1CC1)N1CCCC1 ZINC001109555440 1000642266 /nfs/dbraw/zinc/64/22/66/1000642266.db2.gz QSJAFGZKVUDRMV-YDZRNGNQSA-N 1 3 351.510 2.722 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)[C@@H](C1CC1)N1CCCC1 ZINC001109555440 1000642272 /nfs/dbraw/zinc/64/22/72/1000642272.db2.gz QSJAFGZKVUDRMV-YDZRNGNQSA-N 1 3 351.510 2.722 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCc3ccccc32)CC1 ZINC001109650078 1000780272 /nfs/dbraw/zinc/78/02/72/1000780272.db2.gz QZYOXFDMBBBTBW-GTAWCEEGSA-N 1 3 353.510 2.737 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001091715507 1001131845 /nfs/dbraw/zinc/13/18/45/1001131845.db2.gz AGWCDLZKWSPMJK-GIWBLDEGSA-N 1 3 369.553 2.884 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001091715507 1001131848 /nfs/dbraw/zinc/13/18/48/1001131848.db2.gz AGWCDLZKWSPMJK-GIWBLDEGSA-N 1 3 369.553 2.884 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)c1cccc(OC)c1 ZINC001109934082 1001169569 /nfs/dbraw/zinc/16/95/69/1001169569.db2.gz NDUIGFRKLPCZKQ-RKOGWWSCSA-N 1 3 359.514 2.820 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)c1cccc(OC)c1 ZINC001109934082 1001169574 /nfs/dbraw/zinc/16/95/74/1001169574.db2.gz NDUIGFRKLPCZKQ-RKOGWWSCSA-N 1 3 359.514 2.820 20 0 FFADHO NC(=[NH2+])Nc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001148651572 1001180209 /nfs/dbraw/zinc/18/02/09/1001180209.db2.gz IYHPCVXECRFIMS-GOSISDBHSA-N 1 3 351.454 2.559 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1C ZINC001091737103 1001182056 /nfs/dbraw/zinc/18/20/56/1001182056.db2.gz BTDJXBMVADPPPF-XPNTWCBSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1C ZINC001091737103 1001182061 /nfs/dbraw/zinc/18/20/61/1001182061.db2.gz BTDJXBMVADPPPF-XPNTWCBSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091738038 1001184277 /nfs/dbraw/zinc/18/42/77/1001184277.db2.gz NTFDRLNPXVEDGX-URVUXULASA-N 1 3 355.526 2.616 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091738038 1001184285 /nfs/dbraw/zinc/18/42/85/1001184285.db2.gz NTFDRLNPXVEDGX-URVUXULASA-N 1 3 355.526 2.616 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(CC[NH3+])c3ccc(F)cc3)cc2)CC1 ZINC001149011929 1001248201 /nfs/dbraw/zinc/24/82/01/1001248201.db2.gz XQKPQBQAWVVWOR-UHFFFAOYSA-N 1 3 370.472 2.573 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC001086882788 1001300622 /nfs/dbraw/zinc/30/06/22/1001300622.db2.gz MNANMYPNEBQLRK-KSZLIROESA-N 1 3 362.518 2.540 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1C ZINC001110017849 1001318503 /nfs/dbraw/zinc/31/85/03/1001318503.db2.gz PITSLURVGHHVHK-AABGKKOBSA-N 1 3 373.541 2.957 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1C ZINC001110017849 1001318511 /nfs/dbraw/zinc/31/85/11/1001318511.db2.gz PITSLURVGHHVHK-AABGKKOBSA-N 1 3 373.541 2.957 20 0 FFADHO Cc1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CN(C)C(C)C)C3)sn1 ZINC001112585500 1001536042 /nfs/dbraw/zinc/53/60/42/1001536042.db2.gz BOBJYZFANXZOKJ-LPHOPBHVSA-N 1 3 364.559 2.510 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787715144 1001709451 /nfs/dbraw/zinc/70/94/51/1001709451.db2.gz ACGZGPWXAJAKLN-MBOZVWFJSA-N 1 3 369.550 2.553 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787715144 1001709454 /nfs/dbraw/zinc/70/94/54/1001709454.db2.gz ACGZGPWXAJAKLN-MBOZVWFJSA-N 1 3 369.550 2.553 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1)N1CCCC1 ZINC001091910291 1002062212 /nfs/dbraw/zinc/06/22/12/1002062212.db2.gz QHNFWJPTROGPNS-APWZRJJASA-N 1 3 369.500 2.686 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1)N1CCCC1 ZINC001091910291 1002062222 /nfs/dbraw/zinc/06/22/22/1002062222.db2.gz QHNFWJPTROGPNS-APWZRJJASA-N 1 3 369.500 2.686 20 0 FFADHO Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092052039 1002325529 /nfs/dbraw/zinc/32/55/29/1002325529.db2.gz BCEZMDJHRUNDBY-FVJLSDCUSA-N 1 3 352.482 2.802 20 0 FFADHO Cc1ccccc1[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092052039 1002325539 /nfs/dbraw/zinc/32/55/39/1002325539.db2.gz BCEZMDJHRUNDBY-FVJLSDCUSA-N 1 3 352.482 2.802 20 0 FFADHO N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184405139 1002594037 /nfs/dbraw/zinc/59/40/37/1002594037.db2.gz RMDNBUCHALPDCX-MRXNPFEDSA-N 1 3 358.873 2.632 20 0 FFADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccnc3ccc(C(F)(F)F)cc32)O1 ZINC001170276357 1003084154 /nfs/dbraw/zinc/08/41/54/1003084154.db2.gz DGESQLUVQFLWAC-ZACQAIPSSA-N 1 3 369.387 2.812 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000775009623 1003287514 /nfs/dbraw/zinc/28/75/14/1003287514.db2.gz QKBMLAFUGWEWHR-YLJYHZDGSA-N 1 3 355.482 2.768 20 0 FFADHO Cc1cc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)n(C)n1 ZINC000793519060 1003396982 /nfs/dbraw/zinc/39/69/82/1003396982.db2.gz ALMGFGRRKRDQNZ-HXUWFJFHSA-N 1 3 369.557 2.977 20 0 FFADHO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775783890 1004320619 /nfs/dbraw/zinc/32/06/19/1004320619.db2.gz XOAHUBUPRLTKMW-YLJYHZDGSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775783890 1004320628 /nfs/dbraw/zinc/32/06/28/1004320628.db2.gz XOAHUBUPRLTKMW-YLJYHZDGSA-N 1 3 358.530 2.887 20 0 FFADHO Cc1ccc2c(CC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c[nH]c2c1 ZINC000101861234 1004938119 /nfs/dbraw/zinc/93/81/19/1004938119.db2.gz FGEINRUJKWRCMS-UHFFFAOYSA-N 1 3 368.525 2.694 20 0 FFADHO C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273836436 1005110723 /nfs/dbraw/zinc/11/07/23/1005110723.db2.gz WOLKWSGIMOFVMA-WIYYLYMNSA-N 1 3 358.530 2.561 20 0 FFADHO C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273836436 1005110727 /nfs/dbraw/zinc/11/07/27/1005110727.db2.gz WOLKWSGIMOFVMA-WIYYLYMNSA-N 1 3 358.530 2.561 20 0 FFADHO CCN(CC)CC(=O)N1CCC2(CC[N@H+](Cc3scnc3C)C2)CC1 ZINC001273855113 1005128990 /nfs/dbraw/zinc/12/89/90/1005128990.db2.gz NGXSWORBKFFAQX-UHFFFAOYSA-N 1 3 364.559 2.608 20 0 FFADHO CCN(CC)CC(=O)N1CCC2(CC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001273855113 1005128992 /nfs/dbraw/zinc/12/89/92/1005128992.db2.gz NGXSWORBKFFAQX-UHFFFAOYSA-N 1 3 364.559 2.608 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc2nccn21 ZINC001201632914 1005238103 /nfs/dbraw/zinc/23/81/03/1005238103.db2.gz DWJWUBLIEIPUCW-HXUWFJFHSA-N 1 3 350.466 2.581 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc2nccn21 ZINC001201632914 1005238107 /nfs/dbraw/zinc/23/81/07/1005238107.db2.gz DWJWUBLIEIPUCW-HXUWFJFHSA-N 1 3 350.466 2.581 20 0 FFADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1CCC[NH2+]C[C@@H]1CCOC1 ZINC001489065829 1005403125 /nfs/dbraw/zinc/40/31/25/1005403125.db2.gz YTQBLQASRDPCTP-WSTZPKSXSA-N 1 3 365.562 2.504 20 0 FFADHO CN(CC(=O)NCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)CC(C)(C)C ZINC001133908510 1006027731 /nfs/dbraw/zinc/02/77/31/1006027731.db2.gz UYQVXOMTUKMUHU-WMZOPIPTSA-N 1 3 367.484 2.719 20 0 FFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCOC1 ZINC000882460179 1006405542 /nfs/dbraw/zinc/40/55/42/1006405542.db2.gz CRXHTZOPRXNRDJ-ICSRJNTNSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)CN1CCC([NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000131208819 1006701631 /nfs/dbraw/zinc/70/16/31/1006701631.db2.gz UYWXMAJBNXMTPK-KNQAVFIVSA-N 1 3 359.558 2.986 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)CC1 ZINC001188962574 1006822725 /nfs/dbraw/zinc/82/27/25/1006822725.db2.gz DJWVOPWWEFPMAY-RBUKOAKNSA-N 1 3 359.489 2.531 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC([NH3+])(CC)CC3)c2)CC1 ZINC000883555904 1006861994 /nfs/dbraw/zinc/86/19/94/1006861994.db2.gz MCDDBPQUWCSLJA-UHFFFAOYSA-N 1 3 359.518 2.564 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCCCC(F)(F)F)C[C@H]32)C1 ZINC001189786270 1007274402 /nfs/dbraw/zinc/27/44/02/1007274402.db2.gz BWERGNWJDHLGGB-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(CCCCC(F)(F)F)C[C@H]32)C1 ZINC001189786270 1007274411 /nfs/dbraw/zinc/27/44/11/1007274411.db2.gz BWERGNWJDHLGGB-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)ccc1OC ZINC000775412819 1007785588 /nfs/dbraw/zinc/78/55/88/1007785588.db2.gz XJDQYRSMZXFFIH-OXJNMPFZSA-N 1 3 364.530 2.975 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902522 1007803852 /nfs/dbraw/zinc/80/38/52/1007803852.db2.gz SIOMJSOUBZOQIU-KPQYALRZSA-N 1 3 370.493 2.641 20 0 FFADHO Cc1nccn1CCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603592 1007911748 /nfs/dbraw/zinc/91/17/48/1007911748.db2.gz LXPBLVGXZBZFOL-OAQYLSRUSA-N 1 3 371.529 2.970 20 0 FFADHO Cc1nccn1CCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603592 1007911753 /nfs/dbraw/zinc/91/17/53/1007911753.db2.gz LXPBLVGXZBZFOL-OAQYLSRUSA-N 1 3 371.529 2.970 20 0 FFADHO OC1(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000818964791 1007979954 /nfs/dbraw/zinc/97/99/54/1007979954.db2.gz HSRPZMLLLSJTPU-UHFFFAOYSA-N 1 3 359.558 2.869 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1ccccc1F ZINC000819372329 1008124969 /nfs/dbraw/zinc/12/49/69/1008124969.db2.gz ZMTXSHKMALCELS-STZQEDGTSA-N 1 3 372.484 2.986 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1ccccc1F ZINC000819372329 1008124979 /nfs/dbraw/zinc/12/49/79/1008124979.db2.gz ZMTXSHKMALCELS-STZQEDGTSA-N 1 3 372.484 2.986 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3cc4ccc(F)cc4[nH]c3=O)CC2)CC1 ZINC001177571297 1008662777 /nfs/dbraw/zinc/66/27/77/1008662777.db2.gz VVZBWOVJHNPJFE-UHFFFAOYSA-N 1 3 372.488 2.728 20 0 FFADHO CC(=O)N1CCC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886604809 1008768178 /nfs/dbraw/zinc/76/81/78/1008768178.db2.gz CWBZROQPQIZDJD-CMOCDZPBSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)[C@H]1CCC[N@H+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966119 1008842444 /nfs/dbraw/zinc/84/24/44/1008842444.db2.gz CZPNMFBZSKYACB-FXAWDEMLSA-N 1 3 369.550 2.555 20 0 FFADHO CN(C)[C@H]1CCC[N@@H+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966119 1008842449 /nfs/dbraw/zinc/84/24/49/1008842449.db2.gz CZPNMFBZSKYACB-FXAWDEMLSA-N 1 3 369.550 2.555 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966119 1008842463 /nfs/dbraw/zinc/84/24/63/1008842463.db2.gz CZPNMFBZSKYACB-FXAWDEMLSA-N 1 3 369.550 2.555 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001137248306 1009713606 /nfs/dbraw/zinc/71/36/06/1009713606.db2.gz MHHIRQZCMHCECG-IBGZPJMESA-N 1 3 372.513 2.864 20 0 FFADHO C[C@@H](C(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1)N1CCCC1 ZINC001180577676 1009732854 /nfs/dbraw/zinc/73/28/54/1009732854.db2.gz CPVVJGJFFIMHAI-SFHVURJKSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@@H](C(=O)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1)N1CCCC1 ZINC001180577676 1009732866 /nfs/dbraw/zinc/73/28/66/1009732866.db2.gz CPVVJGJFFIMHAI-SFHVURJKSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1Cl ZINC001093672711 1010454308 /nfs/dbraw/zinc/45/43/08/1010454308.db2.gz BDOSYAQORIVSGV-DDUZABMNSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001093825339 1010599513 /nfs/dbraw/zinc/59/95/13/1010599513.db2.gz FKXFIAKCEOOARR-BZUAXINKSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(Cl)c3)[C@H](C)C2)C1 ZINC001094042159 1010803254 /nfs/dbraw/zinc/80/32/54/1010803254.db2.gz LZVFFXYRKSFBJV-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC001094040789 1010803654 /nfs/dbraw/zinc/80/36/54/1010803654.db2.gz OVGUJGYLCVNKQD-HLLBOEOZSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1c(F)cccc1Cl ZINC001094219967 1010940930 /nfs/dbraw/zinc/94/09/30/1010940930.db2.gz YIQNGZPNSHSGPW-RBSFLKMASA-N 1 3 367.896 2.615 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1c(F)cccc1Cl ZINC001094219967 1010940932 /nfs/dbraw/zinc/94/09/32/1010940932.db2.gz YIQNGZPNSHSGPW-RBSFLKMASA-N 1 3 367.896 2.615 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)s2)[C@H](C)C1 ZINC001094241491 1010984725 /nfs/dbraw/zinc/98/47/25/1010984725.db2.gz IYDCQQRTPAHDEL-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000868169111 1011189076 /nfs/dbraw/zinc/18/90/76/1011189076.db2.gz VKFIBEPSGKBKOB-UHFFFAOYSA-N 1 3 360.502 2.801 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(Cc1ccccc1F)CC2)C12CC[NH+](CC1)C2 ZINC001094560026 1011217175 /nfs/dbraw/zinc/21/71/75/1011217175.db2.gz KUALFKRSRLLTGK-TZIWHRDSSA-N 1 3 371.500 2.782 20 0 FFADHO CC(C)OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161966 1011323546 /nfs/dbraw/zinc/32/35/46/1011323546.db2.gz ZZRWRXMORZHZRY-FYQPLNBISA-N 1 3 365.562 2.643 20 0 FFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001274231652 1011331839 /nfs/dbraw/zinc/33/18/39/1011331839.db2.gz ZUKPNFIYJVXSOU-OHSMVPPVSA-N 1 3 359.489 2.779 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)NC/C=C/CNCc2ccsc2)[C@@H](c2ccccc2)C1 ZINC001274378120 1011408762 /nfs/dbraw/zinc/40/87/62/1011408762.db2.gz KSMYOWGSLKVECK-KPDZFXRVSA-N 1 3 369.534 2.856 20 0 FFADHO C[N@H+]1C[C@H](C(=O)NC/C=C/CNCc2ccsc2)[C@@H](c2ccccc2)C1 ZINC001274378120 1011408770 /nfs/dbraw/zinc/40/87/70/1011408770.db2.gz KSMYOWGSLKVECK-KPDZFXRVSA-N 1 3 369.534 2.856 20 0 FFADHO COc1cc(C)nc(O[C@@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641966 1011422962 /nfs/dbraw/zinc/42/29/62/1011422962.db2.gz XVQJZZNXYFELPA-MRXNPFEDSA-N 1 3 362.518 2.898 20 0 FFADHO COc1cc(C)nc(O[C@@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641966 1011422974 /nfs/dbraw/zinc/42/29/74/1011422974.db2.gz XVQJZZNXYFELPA-MRXNPFEDSA-N 1 3 362.518 2.898 20 0 FFADHO COc1ccnc(OC2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n1 ZINC001171641287 1011423747 /nfs/dbraw/zinc/42/37/47/1011423747.db2.gz OBTGTJYCMQOPEH-UHFFFAOYSA-N 1 3 362.518 2.980 20 0 FFADHO CC(C)(C)CN1CCC([NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001171696381 1011425655 /nfs/dbraw/zinc/42/56/55/1011425655.db2.gz DCLPWKVYWORZML-HNNXBMFYSA-N 1 3 353.507 2.623 20 0 FFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4cccc(Cl)c4)C3)[C@@H]2C1 ZINC001274637287 1011548663 /nfs/dbraw/zinc/54/86/63/1011548663.db2.gz DSBVVNWUKHAGAG-JENIJYKNSA-N 1 3 361.917 2.715 20 0 FFADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4cccc(Cl)c4)C3)[C@@H]2C1 ZINC001274637287 1011548679 /nfs/dbraw/zinc/54/86/79/1011548679.db2.gz DSBVVNWUKHAGAG-JENIJYKNSA-N 1 3 361.917 2.715 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000645693460 1011568922 /nfs/dbraw/zinc/56/89/22/1011568922.db2.gz ZYQCXLOBLSYPBD-IEBWSBKVSA-N 1 3 366.509 2.978 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172101527 1011638490 /nfs/dbraw/zinc/63/84/90/1011638490.db2.gz ZEXOUONZKILFBW-YYAJDYIMSA-N 1 3 355.498 2.940 20 0 FFADHO Cc1nc(CN2CCC3(CN([C@@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C3)C2)cs1 ZINC001172117606 1011651647 /nfs/dbraw/zinc/65/16/47/1011651647.db2.gz QUQPGDZZOKQPJS-REPLKXPHSA-N 1 3 360.571 2.975 20 0 FFADHO Cc1nc(CN2CCC3(CN([C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C3)C2)cs1 ZINC001172117606 1011651655 /nfs/dbraw/zinc/65/16/55/1011651655.db2.gz QUQPGDZZOKQPJS-REPLKXPHSA-N 1 3 360.571 2.975 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172176602 1011684261 /nfs/dbraw/zinc/68/42/61/1011684261.db2.gz AKRVPDLOFYMZOU-PMACEKPBSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172176602 1011684264 /nfs/dbraw/zinc/68/42/64/1011684264.db2.gz AKRVPDLOFYMZOU-PMACEKPBSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172176605 1011684610 /nfs/dbraw/zinc/68/46/10/1011684610.db2.gz AKRVPDLOFYMZOU-VQTJNVASSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172176605 1011684618 /nfs/dbraw/zinc/68/46/18/1011684618.db2.gz AKRVPDLOFYMZOU-VQTJNVASSA-N 1 3 359.489 2.875 20 0 FFADHO COCCC[NH+]1CCC(N[C@H]2CSc3cccc(OC)c3C2)CC1 ZINC001172249608 1011720358 /nfs/dbraw/zinc/72/03/58/1011720358.db2.gz LFUAQZMODPYKRH-MRXNPFEDSA-N 1 3 350.528 2.803 20 0 FFADHO COCCC[NH+]1CCC(NCCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC001172249483 1011720775 /nfs/dbraw/zinc/72/07/75/1011720775.db2.gz LVJLIFOVIMZWQX-UHFFFAOYSA-N 1 3 357.539 2.722 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC(C)(C)[NH3+] ZINC000646256290 1011820178 /nfs/dbraw/zinc/82/01/78/1011820178.db2.gz YXUMQHKCXCDDLL-QGZVFWFLSA-N 1 3 355.486 2.704 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001221967477 1032593401 /nfs/dbraw/zinc/59/34/01/1032593401.db2.gz FYKGWDWLSAMZAN-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCC[C@@H](C(=O)OC)CC2)CC1 ZINC001172796329 1012012676 /nfs/dbraw/zinc/01/26/76/1012012676.db2.gz MSXGGKXPBAUVNQ-ZHALLVOQSA-N 1 3 352.519 2.684 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCC[C@@H](C(=O)OC)CC2)CC1 ZINC001172796329 1012012689 /nfs/dbraw/zinc/01/26/89/1012012689.db2.gz MSXGGKXPBAUVNQ-ZHALLVOQSA-N 1 3 352.519 2.684 20 0 FFADHO COC(=O)[C@H]1CCC[C@H](N2CCC([NH+]3CCC(OC)CC3)CC2)CC1 ZINC001172801161 1012053626 /nfs/dbraw/zinc/05/36/26/1012053626.db2.gz FKUFWTCOYQWWQK-IRXDYDNUSA-N 1 3 352.519 2.684 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1)[NH+](C)C ZINC001275222725 1012098827 /nfs/dbraw/zinc/09/88/27/1012098827.db2.gz JOAGJDFWXUCNSJ-CTNGQTDRSA-N 1 3 360.546 2.806 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1)[NH+](C)C ZINC001275222281 1012099013 /nfs/dbraw/zinc/09/90/13/1012099013.db2.gz CCBAJBSXPYDSSX-OAHLLOKOSA-N 1 3 363.468 2.840 20 0 FFADHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2Cc1coc2ccccc12 ZINC001275294902 1012223133 /nfs/dbraw/zinc/22/31/33/1012223133.db2.gz ZHXFMYVWNVEOGI-OAQYLSRUSA-N 1 3 355.482 2.951 20 0 FFADHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCc3ncsc3C2)CC1 ZINC001173123116 1012263419 /nfs/dbraw/zinc/26/34/19/1012263419.db2.gz ABAVEFUGIVVEOV-GOSISDBHSA-N 1 3 356.539 2.538 20 0 FFADHO COc1ccc([C@@H](CC(C)C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000647288120 1012435731 /nfs/dbraw/zinc/43/57/31/1012435731.db2.gz MIMLDMPRPMCJKV-AZUAARDMSA-N 1 3 361.530 2.959 20 0 FFADHO COc1ccc([C@@H](CC(C)C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000647288120 1012435743 /nfs/dbraw/zinc/43/57/43/1012435743.db2.gz MIMLDMPRPMCJKV-AZUAARDMSA-N 1 3 361.530 2.959 20 0 FFADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)C1 ZINC001173620264 1012777749 /nfs/dbraw/zinc/77/77/49/1012777749.db2.gz FXJWUQWRZWSKSA-NQIIRXRSSA-N 1 3 373.541 2.646 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001222027335 1032667146 /nfs/dbraw/zinc/66/71/46/1032667146.db2.gz RGMZQSPBURHSSC-QZTJIDSGSA-N 1 3 369.500 2.831 20 0 FFADHO Cc1ccc(CCC[NH+]2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)o1 ZINC001275821953 1013040554 /nfs/dbraw/zinc/04/05/54/1013040554.db2.gz NEKXZJIMSAZMDB-UHFFFAOYSA-N 1 3 361.530 2.787 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001097177405 1017149099 /nfs/dbraw/zinc/14/90/99/1017149099.db2.gz QXMVYRGWFKTKEC-MXEMCNAFSA-N 1 3 355.526 2.825 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001097177405 1017149105 /nfs/dbraw/zinc/14/91/05/1017149105.db2.gz QXMVYRGWFKTKEC-MXEMCNAFSA-N 1 3 355.526 2.825 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccnnc1 ZINC000924705152 1017434946 /nfs/dbraw/zinc/43/49/46/1017434946.db2.gz AEGCCCDJTJFUHM-IBGZPJMESA-N 1 3 353.514 2.725 20 0 FFADHO C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCOCC1)c1cnccc1N ZINC000925832693 1017863710 /nfs/dbraw/zinc/86/37/10/1017863710.db2.gz DJGNTRBQGBQHJB-QGZVFWFLSA-N 1 3 354.498 2.826 20 0 FFADHO C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)c1cnccc1N ZINC000925832693 1017863733 /nfs/dbraw/zinc/86/37/33/1017863733.db2.gz DJGNTRBQGBQHJB-QGZVFWFLSA-N 1 3 354.498 2.826 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1cccnc1 ZINC000925907307 1017893416 /nfs/dbraw/zinc/89/34/16/1017893416.db2.gz IZZCCFSGBPYIBC-HXUWFJFHSA-N 1 3 373.545 2.734 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000926168871 1018001304 /nfs/dbraw/zinc/00/13/04/1018001304.db2.gz ZZKCPWRLNQLGSE-UHFFFAOYSA-N 1 3 358.486 2.697 20 0 FFADHO COc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001110962549 1019282797 /nfs/dbraw/zinc/28/27/97/1019282797.db2.gz VHIQGLDPCLMYSQ-QOJCHSLYSA-N 1 3 359.514 2.820 20 0 FFADHO CC1CCN([C@@H](CNC(=O)COC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000930432940 1020033727 /nfs/dbraw/zinc/03/37/27/1020033727.db2.gz PWTJWBPTIMBFIU-NRFANRHFSA-N 1 3 373.541 2.687 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCOCC1)N(C)C ZINC001110993938 1020100137 /nfs/dbraw/zinc/10/01/37/1020100137.db2.gz FZIGULTUMPHJFC-YSTOQKLRSA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCOCC1)N(C)C ZINC001110993938 1020100140 /nfs/dbraw/zinc/10/01/40/1020100140.db2.gz FZIGULTUMPHJFC-YSTOQKLRSA-N 1 3 365.562 2.501 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1C ZINC001096348782 1020176230 /nfs/dbraw/zinc/17/62/30/1020176230.db2.gz WEEVZWAEFLZTQZ-CGXNFDGLSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1C ZINC001096348782 1020176234 /nfs/dbraw/zinc/17/62/34/1020176234.db2.gz WEEVZWAEFLZTQZ-CGXNFDGLSA-N 1 3 355.526 2.867 20 0 FFADHO CN(C)CCn1nccc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000900313407 1020348962 /nfs/dbraw/zinc/34/89/62/1020348962.db2.gz WDKFYNRTHOLCCP-UHFFFAOYSA-N 1 3 369.513 2.725 20 0 FFADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ncccc12 ZINC000931216624 1020377678 /nfs/dbraw/zinc/37/76/78/1020377678.db2.gz IEJNKMSCTKSWKS-UHFFFAOYSA-N 1 3 366.509 2.832 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc(F)cc(F)c3)[C@@H]2C)CC[N@@H+]1C ZINC001074663140 1020663077 /nfs/dbraw/zinc/66/30/77/1020663077.db2.gz JYJAENZTMLUGEQ-ZQEOTTOMSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc(F)cc(F)c3)[C@@H]2C)CC[N@H+]1C ZINC001074663140 1020663083 /nfs/dbraw/zinc/66/30/83/1020663083.db2.gz JYJAENZTMLUGEQ-ZQEOTTOMSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(Cl)nc3)[C@@H]2C)CC[N@@H+]1C ZINC001074663507 1020663266 /nfs/dbraw/zinc/66/32/66/1020663266.db2.gz YIKPRQYIJLCAAE-QSPRXWTASA-N 1 3 364.921 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(Cl)nc3)[C@@H]2C)CC[N@H+]1C ZINC001074663507 1020663271 /nfs/dbraw/zinc/66/32/71/1020663271.db2.gz YIKPRQYIJLCAAE-QSPRXWTASA-N 1 3 364.921 2.544 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC000903118638 1020686789 /nfs/dbraw/zinc/68/67/89/1020686789.db2.gz GHEHJGSLUIGIMX-HXUWFJFHSA-N 1 3 371.525 2.704 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903202313 1020736188 /nfs/dbraw/zinc/73/61/88/1020736188.db2.gz BPSMDGUJTRDXEY-XGBAPZKQSA-N 1 3 368.569 2.550 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903202313 1020736192 /nfs/dbraw/zinc/73/61/92/1020736192.db2.gz BPSMDGUJTRDXEY-XGBAPZKQSA-N 1 3 368.569 2.550 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1 ZINC001098219971 1020740262 /nfs/dbraw/zinc/74/02/62/1020740262.db2.gz ZTVHCESEJXGTJT-BQJUDKOJSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001098219971 1020740268 /nfs/dbraw/zinc/74/02/68/1020740268.db2.gz ZTVHCESEJXGTJT-BQJUDKOJSA-N 1 3 355.526 2.812 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)C1 ZINC001098219891 1020741680 /nfs/dbraw/zinc/74/16/80/1020741680.db2.gz WTIIILFEFHKINS-DWIQEWEKSA-N 1 3 366.509 2.731 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)C1 ZINC001098219891 1020741688 /nfs/dbraw/zinc/74/16/88/1020741688.db2.gz WTIIILFEFHKINS-DWIQEWEKSA-N 1 3 366.509 2.731 20 0 FFADHO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccsc1 ZINC001098230879 1020749523 /nfs/dbraw/zinc/74/95/23/1020749523.db2.gz SCQJJPACHBAPHO-KYJSFNMBSA-N 1 3 356.495 2.744 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900959371 1020752384 /nfs/dbraw/zinc/75/23/84/1020752384.db2.gz XFDSMYWKKZOAFI-UYAOXDASSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900959371 1020752393 /nfs/dbraw/zinc/75/23/93/1020752393.db2.gz XFDSMYWKKZOAFI-UYAOXDASSA-N 1 3 357.498 2.599 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@@H]2CCCO2)c1 ZINC001098459613 1020926741 /nfs/dbraw/zinc/92/67/41/1020926741.db2.gz NXRQXDUUPDOMHY-MHTWAQMVSA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@@H]2CCCO2)c1 ZINC001098459613 1020926746 /nfs/dbraw/zinc/92/67/46/1020926746.db2.gz NXRQXDUUPDOMHY-MHTWAQMVSA-N 1 3 371.525 2.652 20 0 FFADHO C[C@H](c1cccc(F)c1)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122797 1021865963 /nfs/dbraw/zinc/86/59/63/1021865963.db2.gz FSXRBLXBNJRFTD-NRJQMVOHSA-N 1 3 371.500 2.953 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001111467761 1021910704 /nfs/dbraw/zinc/91/07/04/1021910704.db2.gz VANUZHWQADAIKH-BDXSIMOUSA-N 1 3 369.500 2.874 20 0 FFADHO C[NH2+][C@H](C)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001118196305 1022113540 /nfs/dbraw/zinc/11/35/40/1022113540.db2.gz BDGGDTAFIXETBS-RHSMWYFYSA-N 1 3 357.420 2.555 20 0 FFADHO Cc1ncccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001099447220 1022541420 /nfs/dbraw/zinc/54/14/20/1022541420.db2.gz ZNVFXUBPWOASFW-UGKGYDQZSA-N 1 3 370.541 2.593 20 0 FFADHO CC[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001020172282 1022575332 /nfs/dbraw/zinc/57/53/32/1022575332.db2.gz VNKGSDPUSWKBBR-OREGDWJXSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001020172282 1022575342 /nfs/dbraw/zinc/57/53/42/1022575342.db2.gz VNKGSDPUSWKBBR-OREGDWJXSA-N 1 3 365.468 2.993 20 0 FFADHO Cc1cccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001099497039 1022631672 /nfs/dbraw/zinc/63/16/72/1022631672.db2.gz PPDDHHUVWFVUNB-DXIQSLLYSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)c(C)c1 ZINC001099505190 1022644435 /nfs/dbraw/zinc/64/44/35/1022644435.db2.gz DNFJGJFRXJPCHX-UGKGYDQZSA-N 1 3 366.509 2.988 20 0 FFADHO CCc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)cc1 ZINC001099506296 1022646457 /nfs/dbraw/zinc/64/64/57/1022646457.db2.gz OEKPTCXQTOIDNP-UGKGYDQZSA-N 1 3 366.509 2.933 20 0 FFADHO CC(C)[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cnn(C)c1 ZINC001119439482 1022765945 /nfs/dbraw/zinc/76/59/45/1022765945.db2.gz UBBCIXGXUJSPCO-NRFANRHFSA-N 1 3 355.530 2.654 20 0 FFADHO Cc1ncccc1CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040208979 1022802756 /nfs/dbraw/zinc/80/27/56/1022802756.db2.gz DUSFKTNIVJBCOS-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040208979 1022802771 /nfs/dbraw/zinc/80/27/71/1022802771.db2.gz DUSFKTNIVJBCOS-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC001120535221 1023352815 /nfs/dbraw/zinc/35/28/15/1023352815.db2.gz FPMBYAOZTRBWAW-ARLBYUKCSA-N 1 3 372.435 2.599 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000077450459 1023612918 /nfs/dbraw/zinc/61/29/18/1023612918.db2.gz IITBSXDQNJWFMR-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1N(C)C ZINC001111303852 1023706817 /nfs/dbraw/zinc/70/68/17/1023706817.db2.gz CRHRJCBWMMCHSR-SBHAEUEKSA-N 1 3 372.557 2.706 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1N(C)C ZINC001111303852 1023706826 /nfs/dbraw/zinc/70/68/26/1023706826.db2.gz CRHRJCBWMMCHSR-SBHAEUEKSA-N 1 3 372.557 2.706 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)cc1 ZINC001101400480 1024637727 /nfs/dbraw/zinc/63/77/27/1024637727.db2.gz XZOWTOPTTBVEQS-GGAORHGYSA-N 1 3 371.569 2.914 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)cc1 ZINC001101400480 1024637730 /nfs/dbraw/zinc/63/77/30/1024637730.db2.gz XZOWTOPTTBVEQS-GGAORHGYSA-N 1 3 371.569 2.914 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001101440804 1024748878 /nfs/dbraw/zinc/74/88/78/1024748878.db2.gz VEEOAOPDYUCHMP-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001101440804 1024748887 /nfs/dbraw/zinc/74/88/87/1024748887.db2.gz VEEOAOPDYUCHMP-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@]2(C)C1 ZINC001101440818 1024748966 /nfs/dbraw/zinc/74/89/66/1024748966.db2.gz VRZSUHBZQQVWIH-QUCCMNQESA-N 1 3 363.571 2.987 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@]2(C)C1 ZINC001101440818 1024748980 /nfs/dbraw/zinc/74/89/80/1024748980.db2.gz VRZSUHBZQQVWIH-QUCCMNQESA-N 1 3 363.571 2.987 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974668 1025231260 /nfs/dbraw/zinc/23/12/60/1025231260.db2.gz LKFGVLCYDIIXGY-QZTJIDSGSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974668 1025231271 /nfs/dbraw/zinc/23/12/71/1025231271.db2.gz LKFGVLCYDIIXGY-QZTJIDSGSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974497 1025232452 /nfs/dbraw/zinc/23/24/52/1025232452.db2.gz AVYXUJBZKLVGMT-IEBWSBKVSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974497 1025232456 /nfs/dbraw/zinc/23/24/56/1025232456.db2.gz AVYXUJBZKLVGMT-IEBWSBKVSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976206 1025234799 /nfs/dbraw/zinc/23/47/99/1025234799.db2.gz PCOWFYBFOFHNGB-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976206 1025234810 /nfs/dbraw/zinc/23/48/10/1025234810.db2.gz PCOWFYBFOFHNGB-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046296 1025351433 /nfs/dbraw/zinc/35/14/33/1025351433.db2.gz WXZOGHAIXYNKAK-POAQFYNOSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046296 1025351441 /nfs/dbraw/zinc/35/14/41/1025351441.db2.gz WXZOGHAIXYNKAK-POAQFYNOSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048571 1025358109 /nfs/dbraw/zinc/35/81/09/1025358109.db2.gz GZUGKSMAWSMDPX-DUXKGJEZSA-N 1 3 357.542 2.644 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048571 1025358123 /nfs/dbraw/zinc/35/81/23/1025358123.db2.gz GZUGKSMAWSMDPX-DUXKGJEZSA-N 1 3 357.542 2.644 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102051696 1025363291 /nfs/dbraw/zinc/36/32/91/1025363291.db2.gz GVDMMENBALDGTD-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102051696 1025363303 /nfs/dbraw/zinc/36/33/03/1025363303.db2.gz GVDMMENBALDGTD-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)C2)cc1 ZINC000637719709 1025546745 /nfs/dbraw/zinc/54/67/45/1025546745.db2.gz PXJMOQJJLSNJQZ-HOJAQTOUSA-N 1 3 358.530 2.551 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)C2)cc1 ZINC000637719709 1025546758 /nfs/dbraw/zinc/54/67/58/1025546758.db2.gz PXJMOQJJLSNJQZ-HOJAQTOUSA-N 1 3 358.530 2.551 20 0 FFADHO C[C@@H]1CN([C@H]2CCc3c2c(F)ccc3F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318617 1025741031 /nfs/dbraw/zinc/74/10/31/1025741031.db2.gz AZVKBHGPRXNOIG-LBTNJELSSA-N 1 3 365.468 2.588 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001102366541 1025816744 /nfs/dbraw/zinc/81/67/44/1025816744.db2.gz IYMUBXYVOMJSNG-ZHALLVOQSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001102366541 1025816764 /nfs/dbraw/zinc/81/67/64/1025816764.db2.gz IYMUBXYVOMJSNG-ZHALLVOQSA-N 1 3 363.571 2.849 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c1 ZINC001102366459 1025816906 /nfs/dbraw/zinc/81/69/06/1025816906.db2.gz GAEUPEHNIXNBTA-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c1 ZINC001102366459 1025816922 /nfs/dbraw/zinc/81/69/22/1025816922.db2.gz GAEUPEHNIXNBTA-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369706 1025824636 /nfs/dbraw/zinc/82/46/36/1025824636.db2.gz DJRRKFZIPICQNM-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369706 1025824657 /nfs/dbraw/zinc/82/46/57/1025824657.db2.gz DJRRKFZIPICQNM-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO OC1CCN(CCC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638411682 1025829505 /nfs/dbraw/zinc/82/95/05/1025829505.db2.gz KPMPWXZYELPAQV-SIKLNZKXSA-N 1 3 357.542 2.791 20 0 FFADHO Cn1ccnc1C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000638698589 1025936464 /nfs/dbraw/zinc/93/64/64/1025936464.db2.gz KNTZVQCPZXCPDF-IBGZPJMESA-N 1 3 356.514 2.529 20 0 FFADHO Cn1ccnc1C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638698589 1025936479 /nfs/dbraw/zinc/93/64/79/1025936479.db2.gz KNTZVQCPZXCPDF-IBGZPJMESA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1C)C(C)C ZINC001102472057 1026040944 /nfs/dbraw/zinc/04/09/44/1026040944.db2.gz GAWXLJXMRPIKLQ-SZVBFZGTSA-N 1 3 364.534 2.534 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC001102473566 1026048397 /nfs/dbraw/zinc/04/83/97/1026048397.db2.gz GHMKPKHERCXPNR-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC001102473566 1026048414 /nfs/dbraw/zinc/04/84/14/1026048414.db2.gz GHMKPKHERCXPNR-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@H]1C ZINC001102475305 1026050846 /nfs/dbraw/zinc/05/08/46/1026050846.db2.gz ICVVUCHZHQLNNR-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1C ZINC001102475305 1026050859 /nfs/dbraw/zinc/05/08/59/1026050859.db2.gz ICVVUCHZHQLNNR-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102475442 1026055226 /nfs/dbraw/zinc/05/52/26/1026055226.db2.gz OZZRITKAULXRSX-WRWLIDTKSA-N 1 3 361.505 2.839 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001102475442 1026055245 /nfs/dbraw/zinc/05/52/45/1026055245.db2.gz OZZRITKAULXRSX-WRWLIDTKSA-N 1 3 361.505 2.839 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000639001751 1026124848 /nfs/dbraw/zinc/12/48/48/1026124848.db2.gz MSNVFXXMBHWIBO-NRFANRHFSA-N 1 3 363.505 2.574 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccccc2Cl)C[C@H]1C ZINC001102524943 1026213303 /nfs/dbraw/zinc/21/33/03/1026213303.db2.gz FADPRPZBBTZPQP-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2Cl)C[C@H]1C ZINC001102524943 1026213317 /nfs/dbraw/zinc/21/33/17/1026213317.db2.gz FADPRPZBBTZPQP-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CN(Cc1ccccc1)C1(C[NH2+]C2CCN(CC(C)(C)O)CC2)CCC1 ZINC000639227690 1026239289 /nfs/dbraw/zinc/23/92/89/1026239289.db2.gz PMXUGDZXWCAEEL-UHFFFAOYSA-N 1 3 359.558 2.866 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001102532069 1026243449 /nfs/dbraw/zinc/24/34/49/1026243449.db2.gz SMCATRAKLVQAKD-VQIMIIECSA-N 1 3 354.498 2.762 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001102532069 1026243457 /nfs/dbraw/zinc/24/34/57/1026243457.db2.gz SMCATRAKLVQAKD-VQIMIIECSA-N 1 3 354.498 2.762 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001102600382 1026398198 /nfs/dbraw/zinc/39/81/98/1026398198.db2.gz CIDUUHKQAODSBJ-ZACQAIPSSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001102600382 1026398202 /nfs/dbraw/zinc/39/82/02/1026398202.db2.gz CIDUUHKQAODSBJ-ZACQAIPSSA-N 1 3 359.505 2.836 20 0 FFADHO COc1cc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)ccc1C ZINC001102600348 1026399837 /nfs/dbraw/zinc/39/98/37/1026399837.db2.gz AKFDTJDQUGFVIP-IEBWSBKVSA-N 1 3 361.530 2.528 20 0 FFADHO COc1cc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)ccc1C ZINC001102600348 1026399841 /nfs/dbraw/zinc/39/98/41/1026399841.db2.gz AKFDTJDQUGFVIP-IEBWSBKVSA-N 1 3 361.530 2.528 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001102600695 1026401167 /nfs/dbraw/zinc/40/11/67/1026401167.db2.gz QWGZTJHTGKZHSJ-SJLPKXTDSA-N 1 3 351.560 2.705 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001102600695 1026401173 /nfs/dbraw/zinc/40/11/73/1026401173.db2.gz QWGZTJHTGKZHSJ-SJLPKXTDSA-N 1 3 351.560 2.705 20 0 FFADHO CC[C@@H]1[C@H](CO)CCN1C[C@@H](C[N@@H+]1CC[C@H](CO)[C@@H]1CC)c1ccccc1 ZINC000639660121 1026422279 /nfs/dbraw/zinc/42/22/79/1026422279.db2.gz VDRNGWIIJOUALM-MRQBATSKSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CCN1C[C@@H](C[N@H+]1CC[C@H](CO)[C@@H]1CC)c1ccccc1 ZINC000639660121 1026422282 /nfs/dbraw/zinc/42/22/82/1026422282.db2.gz VDRNGWIIJOUALM-MRQBATSKSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](CN1CC[C@H](CO)[C@@H]1CC)c1ccccc1 ZINC000639660121 1026422284 /nfs/dbraw/zinc/42/22/84/1026422284.db2.gz VDRNGWIIJOUALM-MRQBATSKSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](CN1CC[C@H](CO)[C@@H]1CC)c1ccccc1 ZINC000639660121 1026422287 /nfs/dbraw/zinc/42/22/87/1026422287.db2.gz VDRNGWIIJOUALM-MRQBATSKSA-N 1 3 374.569 2.956 20 0 FFADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1COCC12OCCO2 ZINC000839173167 1026611444 /nfs/dbraw/zinc/61/14/44/1026611444.db2.gz MIDRJACJBMHTEW-IBGZPJMESA-N 1 3 366.546 2.789 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102780850 1026646608 /nfs/dbraw/zinc/64/66/08/1026646608.db2.gz QXRBHNAJBKJHKR-IDHHARJASA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102780850 1026646612 /nfs/dbraw/zinc/64/66/12/1026646612.db2.gz QXRBHNAJBKJHKR-IDHHARJASA-N 1 3 365.468 2.633 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4ccccc4n3)CC2)CC1 ZINC000640519018 1026772523 /nfs/dbraw/zinc/77/25/23/1026772523.db2.gz VVZHYQXBJGOOOJ-UHFFFAOYSA-N 1 3 367.497 2.915 20 0 FFADHO C[C@@H]1CN(Cc2ccns2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103744 1026963453 /nfs/dbraw/zinc/96/34/53/1026963453.db2.gz XKMHRAUZAFYXBF-BRWVUGGUSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1CN(Cc2ccns2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103744 1026963459 /nfs/dbraw/zinc/96/34/59/1026963459.db2.gz XKMHRAUZAFYXBF-BRWVUGGUSA-N 1 3 364.559 2.592 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N(C)C ZINC001103111847 1026971714 /nfs/dbraw/zinc/97/17/14/1026971714.db2.gz RATVLTHZMPSGHI-OIISXLGYSA-N 1 3 359.505 2.692 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N(C)C ZINC001103111847 1026971716 /nfs/dbraw/zinc/97/17/16/1026971716.db2.gz RATVLTHZMPSGHI-OIISXLGYSA-N 1 3 359.505 2.692 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1C ZINC001103156571 1027011597 /nfs/dbraw/zinc/01/15/97/1027011597.db2.gz LDMGVGVWSSFZIF-QZTJIDSGSA-N 1 3 360.546 2.695 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1C ZINC001103156571 1027011602 /nfs/dbraw/zinc/01/16/02/1027011602.db2.gz LDMGVGVWSSFZIF-QZTJIDSGSA-N 1 3 360.546 2.695 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)NC/C=C/C[NH3+])Cc1ccccc1 ZINC000641869673 1027341052 /nfs/dbraw/zinc/34/10/52/1027341052.db2.gz FCESOGLKMCNRNF-CMDGGOBGSA-N 1 3 366.509 2.845 20 0 FFADHO Cc1cccc(N(C(=O)[C@@H](N)C2CCCCC2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339055 1027360238 /nfs/dbraw/zinc/36/02/38/1027360238.db2.gz LFJPHNCCXSCXSS-URVUXULASA-N 1 3 371.525 2.757 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439523 1027484532 /nfs/dbraw/zinc/48/45/32/1027484532.db2.gz GIYTXKZPYDJQSC-RTBURBONSA-N 1 3 369.594 2.855 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439523 1027484546 /nfs/dbraw/zinc/48/45/46/1027484546.db2.gz GIYTXKZPYDJQSC-RTBURBONSA-N 1 3 369.594 2.855 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C)N(C)C ZINC001103445108 1027494905 /nfs/dbraw/zinc/49/49/05/1027494905.db2.gz YBGYUHWTPCXZSI-POAQFYNOSA-N 1 3 363.521 2.783 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C)N(C)C ZINC001103445108 1027494912 /nfs/dbraw/zinc/49/49/12/1027494912.db2.gz YBGYUHWTPCXZSI-POAQFYNOSA-N 1 3 363.521 2.783 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001159788992 1027498563 /nfs/dbraw/zinc/49/85/63/1027498563.db2.gz PGSBNLAMVVAHIV-CYBMUJFWSA-N 1 3 359.783 2.599 20 0 FFADHO CN1CCc2nc(Cl)nc(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)c2C1 ZINC001159953936 1027544606 /nfs/dbraw/zinc/54/46/06/1027544606.db2.gz ZRMYGFRKWBOGMQ-LBPRGKRZSA-N 1 3 367.884 2.878 20 0 FFADHO CN(CC(=O)NCCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CCC1 ZINC001160003018 1027561087 /nfs/dbraw/zinc/56/10/87/1027561087.db2.gz AKSKHXOIPHGKNZ-HKUYNNGSSA-N 1 3 365.468 2.616 20 0 FFADHO O=C([C@@H]1C[C@H](c2ccccc2)CCN1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460947 1027716023 /nfs/dbraw/zinc/71/60/23/1027716023.db2.gz HQBDTCRQWUBAQG-NJYVYQBISA-N 1 3 355.526 2.999 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N(Cc1ccccn1)C1CCCCC1 ZINC001160715448 1027820382 /nfs/dbraw/zinc/82/03/82/1027820382.db2.gz FGSZPDSOLTUQJT-IBGZPJMESA-N 1 3 356.514 2.617 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N(Cc1ccccn1)C1CCCCC1 ZINC001160715448 1027820397 /nfs/dbraw/zinc/82/03/97/1027820397.db2.gz FGSZPDSOLTUQJT-IBGZPJMESA-N 1 3 356.514 2.617 20 0 FFADHO [NH3+]C1CCN(c2cccc(N[C@H](CO)Cc3ccc(Cl)cc3)n2)CC1 ZINC001160797823 1027880851 /nfs/dbraw/zinc/88/08/51/1027880851.db2.gz WLQYHUSSUKXWRB-KRWDZBQOSA-N 1 3 360.889 2.678 20 0 FFADHO Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C2)n1 ZINC001103655189 1027895875 /nfs/dbraw/zinc/89/58/75/1027895875.db2.gz TZHQNBWGXXYEKJ-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000643523453 1028028541 /nfs/dbraw/zinc/02/85/41/1028028541.db2.gz KWDHVJRZOFCUOA-HNNXBMFYSA-N 1 3 371.506 2.681 20 0 FFADHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001161158513 1028042490 /nfs/dbraw/zinc/04/24/90/1028042490.db2.gz JHMHZAUGFAYGRU-HZPDHXFCSA-N 1 3 357.420 2.507 20 0 FFADHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001161158513 1028042502 /nfs/dbraw/zinc/04/25/02/1028042502.db2.gz JHMHZAUGFAYGRU-HZPDHXFCSA-N 1 3 357.420 2.507 20 0 FFADHO CN(CCN(C)C(=O)C1(c2ccccc2)CC[NH2+]CC1)Cc1ccccc1 ZINC001161161310 1028044887 /nfs/dbraw/zinc/04/48/87/1028044887.db2.gz RJZQYOZZMZXYJL-UHFFFAOYSA-N 1 3 365.521 2.898 20 0 FFADHO O=C(C[C@@H]1Cc2ccccc2CN1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424200 1028165199 /nfs/dbraw/zinc/16/51/99/1028165199.db2.gz BVVJGQIYMJUAIV-NRFANRHFSA-N 1 3 363.505 2.872 20 0 FFADHO C[C@@H](Nc1cccc2ccccc21)C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161449545 1028180341 /nfs/dbraw/zinc/18/03/41/1028180341.db2.gz NSZFJZZWXYPMRT-MJGOQNOKSA-N 1 3 368.525 2.782 20 0 FFADHO Cc1cc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc(C)c1OC(C)C ZINC001161450180 1028182591 /nfs/dbraw/zinc/18/25/91/1028182591.db2.gz CPWUGDRUMZCSQN-LJQANCHMSA-N 1 3 361.530 2.846 20 0 FFADHO CN(C)[C@@H](CNC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525448 1028520775 /nfs/dbraw/zinc/52/07/75/1028520775.db2.gz LQIBPPFIFOIIBH-SFTDATJTSA-N 1 3 359.489 2.511 20 0 FFADHO CN(C)[C@@H](CNC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525448 1028520790 /nfs/dbraw/zinc/52/07/90/1028520790.db2.gz LQIBPPFIFOIIBH-SFTDATJTSA-N 1 3 359.489 2.511 20 0 FFADHO CN(C)[C@@H](C[NH2+]C[C@H](O)CN(C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525448 1028520802 /nfs/dbraw/zinc/52/08/02/1028520802.db2.gz LQIBPPFIFOIIBH-SFTDATJTSA-N 1 3 359.489 2.511 20 0 FFADHO CC(C)N1CCN(Cc2ccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c(F)c2)CC1 ZINC001163268701 1028863342 /nfs/dbraw/zinc/86/33/42/1028863342.db2.gz NFGOQKOSJUVFPZ-HBFSDRIKSA-N 1 3 360.521 2.762 20 0 FFADHO COC(=O)c1cc(NCC2(N(C)C)CC[NH+](C)CC2)ccc1OC(F)F ZINC001164213408 1029206060 /nfs/dbraw/zinc/20/60/60/1029206060.db2.gz UYEBEKNCFZSOKJ-UHFFFAOYSA-N 1 3 371.428 2.513 20 0 FFADHO N=C(NCCCC[NH3+])NC(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001157101494 1029465512 /nfs/dbraw/zinc/46/55/12/1029465512.db2.gz JSNMXWMBVQYMOZ-UHFFFAOYSA-N 1 3 359.852 2.906 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cc4ccc(Cl)nc4cn3)CC2)CC1 ZINC001157837458 1029672802 /nfs/dbraw/zinc/67/28/02/1029672802.db2.gz CIWFQIDRVFYPRR-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158028445 1029710720 /nfs/dbraw/zinc/71/07/20/1029710720.db2.gz RCRXKYWYQZEPEQ-YQQAZPJKSA-N 1 3 361.452 2.689 20 0 FFADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158028443 1029710943 /nfs/dbraw/zinc/71/09/43/1029710943.db2.gz RCRXKYWYQZEPEQ-HLLBOEOZSA-N 1 3 361.452 2.689 20 0 FFADHO N[C@H](CC(=O)N1CCC2(CCC[NH2+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001158169378 1029749909 /nfs/dbraw/zinc/74/99/09/1029749909.db2.gz PXWSTUJCHNTPKL-OAHLLOKOSA-N 1 3 355.404 2.840 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001112003752 1029852330 /nfs/dbraw/zinc/85/23/30/1029852330.db2.gz BEZQIGRCXPNLEC-UNMCSNQZSA-N 1 3 370.541 2.737 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)cc2)CC1 ZINC000841017534 1029979981 /nfs/dbraw/zinc/97/99/81/1029979981.db2.gz FPPZCPQHTHBWPJ-FQEVSTJZSA-N 1 3 373.545 2.858 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)[C@@H]1c1ccccc1 ZINC000841282799 1030154461 /nfs/dbraw/zinc/15/44/61/1030154461.db2.gz QIHAQDOEEMYJCL-MOPGFXCFSA-N 1 3 354.454 2.591 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001112197330 1030214494 /nfs/dbraw/zinc/21/44/94/1030214494.db2.gz LRQFVJPLTCWLPK-HZPDHXFCSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142348346 1030334314 /nfs/dbraw/zinc/33/43/14/1030334314.db2.gz SHKSNRUHFPNVFK-SFHVURJKSA-N 1 3 358.530 2.530 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000841747412 1030445062 /nfs/dbraw/zinc/44/50/62/1030445062.db2.gz ATDPIOGSNXFGTJ-MHJFOBGBSA-N 1 3 358.530 2.952 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000796702990 1030888426 /nfs/dbraw/zinc/88/84/26/1030888426.db2.gz OMGHCLRPNPQISR-ZJPYXAASSA-N 1 3 369.550 2.626 20 0 FFADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C(c1ccccc1)c1ccccc1 ZINC001142798148 1030894661 /nfs/dbraw/zinc/89/46/61/1030894661.db2.gz DKKBRBXANDZLQP-UHFFFAOYSA-N 1 3 352.482 2.882 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cccnc1)CC2 ZINC001204074769 1031082814 /nfs/dbraw/zinc/08/28/14/1031082814.db2.gz SFZBERBOOVSONU-NRFANRHFSA-N 1 3 366.509 2.980 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cccnc1)CC2 ZINC001204074769 1031082823 /nfs/dbraw/zinc/08/28/23/1031082823.db2.gz SFZBERBOOVSONU-NRFANRHFSA-N 1 3 366.509 2.980 20 0 FFADHO COc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)c(OCc2ccccc2)c1 ZINC001205220473 1031605263 /nfs/dbraw/zinc/60/52/63/1031605263.db2.gz KOKBXOJFJSPZBF-JOCHJYFZSA-N 1 3 370.493 2.950 20 0 FFADHO C[C@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001205386163 1031700892 /nfs/dbraw/zinc/70/08/92/1031700892.db2.gz YWXXZAAEIYUEGI-JKSUJKDBSA-N 1 3 354.560 2.586 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001205415413 1031727040 /nfs/dbraw/zinc/72/70/40/1031727040.db2.gz SLSCDNLGIXFSEM-VQTJNVASSA-N 1 3 361.505 2.994 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCC2CC2)C1 ZINC001205445822 1031750586 /nfs/dbraw/zinc/75/05/86/1031750586.db2.gz LOEJEWZGGOSBTF-VQTJNVASSA-N 1 3 361.505 2.852 20 0 FFADHO N[C@@H](CCOCc1ccccc1)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218998021 1033448796 /nfs/dbraw/zinc/44/87/96/1033448796.db2.gz XUMPHAXKRNUUMM-QUCCMNQESA-N 1 3 353.466 2.636 20 0 FFADHO N[C@]1(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)CCc2cc(F)ccc2C1 ZINC001218997444 1033449666 /nfs/dbraw/zinc/44/96/66/1033449666.db2.gz UPJDGMMCUJXWBC-DYESRHJHSA-N 1 3 353.441 2.728 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001219028315 1033475532 /nfs/dbraw/zinc/47/55/32/1033475532.db2.gz ZGBQYSNXUKRZKI-QFBILLFUSA-N 1 3 351.450 2.643 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223613995 1033519136 /nfs/dbraw/zinc/51/91/36/1033519136.db2.gz QEBINBAICCTGNT-ZCNNSNEGSA-N 1 3 365.562 2.600 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223613995 1033519148 /nfs/dbraw/zinc/51/91/48/1033519148.db2.gz QEBINBAICCTGNT-ZCNNSNEGSA-N 1 3 365.562 2.600 20 0 FFADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219118149 1033522977 /nfs/dbraw/zinc/52/29/77/1033522977.db2.gz IJTHFSNWWDVWHN-SFTDATJTSA-N 1 3 364.493 2.918 20 0 FFADHO N[C@H](C(=O)Nc1cc(C(F)(F)F)cc2ncccc21)C1CC[NH2+]CC1 ZINC001219188604 1033548335 /nfs/dbraw/zinc/54/83/35/1033548335.db2.gz QQIXBEGOFNFKRY-HNNXBMFYSA-N 1 3 352.360 2.519 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)C1 ZINC001219642746 1033728794 /nfs/dbraw/zinc/72/87/94/1033728794.db2.gz XGGUNUKTLPGUPL-MDKPJZGXSA-N 1 3 351.494 2.585 20 0 FFADHO O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001219769418 1033804608 /nfs/dbraw/zinc/80/46/08/1033804608.db2.gz WJFOYNOPKPDVGO-VQIMIIECSA-N 1 3 367.896 2.760 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)C1 ZINC001219980056 1033924204 /nfs/dbraw/zinc/92/42/04/1033924204.db2.gz APALBNCXWZZXGG-XJKSGUPXSA-N 1 3 357.420 2.943 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)C1 ZINC001219980056 1033924214 /nfs/dbraw/zinc/92/42/14/1033924214.db2.gz APALBNCXWZZXGG-XJKSGUPXSA-N 1 3 357.420 2.943 20 0 FFADHO CN[C@H](C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2)[C@@H](C)OC(C)(C)C ZINC001220538384 1034243099 /nfs/dbraw/zinc/24/30/99/1034243099.db2.gz MOAKREJGIPRMIO-OKGBLQAJSA-N 1 3 365.562 2.534 20 0 FFADHO [NH2+]=C(Cc1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1)NO ZINC001225545785 1034299397 /nfs/dbraw/zinc/29/93/97/1034299397.db2.gz IOHQNLRBNZWLFW-FQEVSTJZSA-N 1 3 369.465 2.855 20 0 FFADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220962828 1034481009 /nfs/dbraw/zinc/48/10/09/1034481009.db2.gz SESZSFHDJJFXBY-HXUWFJFHSA-N 1 3 367.468 2.983 20 0 FFADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220962828 1034481018 /nfs/dbraw/zinc/48/10/18/1034481018.db2.gz SESZSFHDJJFXBY-HXUWFJFHSA-N 1 3 367.468 2.983 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226161551 1034551532 /nfs/dbraw/zinc/55/15/32/1034551532.db2.gz QSEKTFATKCBAKG-GUDVDZBRSA-N 1 3 353.551 2.691 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001221433427 1034755354 /nfs/dbraw/zinc/75/53/54/1034755354.db2.gz HJMLARGCVAZKAF-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[N@H+](CC)C1 ZINC001221495232 1034821324 /nfs/dbraw/zinc/82/13/24/1034821324.db2.gz BGGIIRTXVQGFBZ-FQEVSTJZSA-N 1 3 372.557 2.949 20 0 FFADHO CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[N@@H+](CC)C1 ZINC001221495232 1034821337 /nfs/dbraw/zinc/82/13/37/1034821337.db2.gz BGGIIRTXVQGFBZ-FQEVSTJZSA-N 1 3 372.557 2.949 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001226901853 1034878436 /nfs/dbraw/zinc/87/84/36/1034878436.db2.gz KGYSVXJVYJSNGJ-VQTJNVASSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001226901853 1034878449 /nfs/dbraw/zinc/87/84/49/1034878449.db2.gz KGYSVXJVYJSNGJ-VQTJNVASSA-N 1 3 360.546 2.879 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)N(C)C)s1 ZINC001226921098 1034883935 /nfs/dbraw/zinc/88/39/35/1034883935.db2.gz ADKIIUUPNQOLSX-ZACQAIPSSA-N 1 3 352.548 2.555 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001227150367 1034951321 /nfs/dbraw/zinc/95/13/21/1034951321.db2.gz PCZZFYFKECUMKH-BRWVUGGUSA-N 1 3 353.551 2.549 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1sccc1Br ZINC001139312664 1035052924 /nfs/dbraw/zinc/05/29/24/1035052924.db2.gz VLOIXBFNHUVJHU-UONOGXRCSA-N 1 3 358.349 2.721 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1sccc1Br ZINC001139312664 1035052933 /nfs/dbraw/zinc/05/29/33/1035052933.db2.gz VLOIXBFNHUVJHU-UONOGXRCSA-N 1 3 358.349 2.721 20 0 FFADHO Cc1cccc([C@@H](C)N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001221772069 1035054982 /nfs/dbraw/zinc/05/49/82/1035054982.db2.gz MNLPWNKKNHBOCB-MISYRCLQSA-N 1 3 355.526 2.931 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CCOC3CCCCCC3)C[C@H]21 ZINC001221776816 1035060202 /nfs/dbraw/zinc/06/02/02/1035060202.db2.gz FDHWTHBHVSBJMJ-UYAOXDASSA-N 1 3 365.562 2.600 20 0 FFADHO COC(=O)c1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1C ZINC001139371264 1035078451 /nfs/dbraw/zinc/07/84/51/1035078451.db2.gz JZEQGYADOJDDFQ-UHFFFAOYSA-N 1 3 371.481 2.893 20 0 FFADHO COC(=O)c1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1C ZINC001139371264 1035078455 /nfs/dbraw/zinc/07/84/55/1035078455.db2.gz JZEQGYADOJDDFQ-UHFFFAOYSA-N 1 3 371.481 2.893 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227901187 1035795315 /nfs/dbraw/zinc/79/53/15/1035795315.db2.gz UBICRDZCSOAEIY-RTBURBONSA-N 1 3 367.578 2.941 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccccc2)o1 ZINC001228355398 1036068050 /nfs/dbraw/zinc/06/80/50/1036068050.db2.gz MWJXQXPNXFIFHX-RTBURBONSA-N 1 3 370.497 2.810 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1F)N(C)C ZINC001228661800 1036240968 /nfs/dbraw/zinc/24/09/68/1036240968.db2.gz XSAIGRBDEVWWEF-QRVBRYPASA-N 1 3 367.484 2.865 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)c1cnc(C)cn1 ZINC001229851913 1036933277 /nfs/dbraw/zinc/93/32/77/1036933277.db2.gz AAZGEEFPKVPBRV-RCCFBDPRSA-N 1 3 361.534 2.595 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)c1cnc(C)cn1 ZINC001229851913 1036933288 /nfs/dbraw/zinc/93/32/88/1036933288.db2.gz AAZGEEFPKVPBRV-RCCFBDPRSA-N 1 3 361.534 2.595 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001234148479 1036943421 /nfs/dbraw/zinc/94/34/21/1036943421.db2.gz LXRLYFYJPLJURY-QUCCMNQESA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001234148479 1036943441 /nfs/dbraw/zinc/94/34/41/1036943441.db2.gz LXRLYFYJPLJURY-QUCCMNQESA-N 1 3 374.529 2.614 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230335135 1037232343 /nfs/dbraw/zinc/23/23/43/1037232343.db2.gz LSYOHUJPUQVCID-RTBURBONSA-N 1 3 362.518 2.766 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2)c1 ZINC001207262927 1037295802 /nfs/dbraw/zinc/29/58/02/1037295802.db2.gz MESGZVHQCVVZKE-LSTHTHJFSA-N 1 3 363.521 2.865 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2)c1 ZINC001207262927 1037295814 /nfs/dbraw/zinc/29/58/14/1037295814.db2.gz MESGZVHQCVVZKE-LSTHTHJFSA-N 1 3 363.521 2.865 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001207281375 1037310117 /nfs/dbraw/zinc/31/01/17/1037310117.db2.gz AJAGVJOVAGYBLK-SFHVURJKSA-N 1 3 367.488 2.602 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001207281375 1037310131 /nfs/dbraw/zinc/31/01/31/1037310131.db2.gz AJAGVJOVAGYBLK-SFHVURJKSA-N 1 3 367.488 2.602 20 0 FFADHO c1ccc(C[NH+]2CCC(CN3CCN(c4ccncn4)CC3)CC2)cc1 ZINC001207293673 1037320016 /nfs/dbraw/zinc/32/00/16/1037320016.db2.gz JMNKWTGHULZMAC-UHFFFAOYSA-N 1 3 351.498 2.511 20 0 FFADHO C[NH+](C)CCCN1CCN(CCCc2ccc(Br)cc2)CC1 ZINC001207322303 1037348051 /nfs/dbraw/zinc/34/80/51/1037348051.db2.gz MOIVXYZBPKAZRS-UHFFFAOYSA-N 1 3 368.363 2.951 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1c(Cl)cccc1Cl)C2 ZINC001235336598 1037488907 /nfs/dbraw/zinc/48/89/07/1037488907.db2.gz JVFLDEXPJWXSEJ-YVVSIOMPSA-N 1 3 369.292 2.824 20 0 FFADHO Cc1ccc(I)cc1CN1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342986 1037490401 /nfs/dbraw/zinc/49/04/01/1037490401.db2.gz YXVRNLURIHYEOB-LBPRGKRZSA-N 1 3 356.251 2.641 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365753 1037507155 /nfs/dbraw/zinc/50/71/55/1037507155.db2.gz PESGWIDIUUZHQA-MDNKFWRPSA-N 1 3 363.496 2.730 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235365753 1037507175 /nfs/dbraw/zinc/50/71/75/1037507175.db2.gz PESGWIDIUUZHQA-MDNKFWRPSA-N 1 3 363.496 2.730 20 0 FFADHO CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001207537556 1037530520 /nfs/dbraw/zinc/53/05/20/1037530520.db2.gz DPRIFYQJDZOQCN-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001207537556 1037530534 /nfs/dbraw/zinc/53/05/34/1037530534.db2.gz DPRIFYQJDZOQCN-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO Nc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)cn1 ZINC001235423363 1037541478 /nfs/dbraw/zinc/54/14/78/1037541478.db2.gz GEWQBKJSPOXDHK-CHWSQXEVSA-N 1 3 353.308 2.638 20 0 FFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCCCCO)CC2 ZINC001235526816 1037608509 /nfs/dbraw/zinc/60/85/09/1037608509.db2.gz TZXWKNBCDOBPAR-QGZVFWFLSA-N 1 3 352.544 2.966 20 0 FFADHO [NH3+]Cc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001235595035 1037636923 /nfs/dbraw/zinc/63/69/23/1037636923.db2.gz BEKRRYGHPAUIKL-FPOVZHCZSA-N 1 3 355.457 2.622 20 0 FFADHO Fc1cccc(N2CCOC[C@]3(CCCN(C[C@@H]4CCC[NH2+]C4)C3)C2)c1 ZINC001235603315 1037638697 /nfs/dbraw/zinc/63/86/97/1037638697.db2.gz UQNNZSLUCFSJKH-NQIIRXRSSA-N 1 3 361.505 2.744 20 0 FFADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207959856 1037894621 /nfs/dbraw/zinc/89/46/21/1037894621.db2.gz MSHLRHUJFQRLKG-NHCUHLMSSA-N 1 3 373.541 2.954 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(C(F)(F)F)cc3C)C[C@H]1CNCC2 ZINC001236040295 1037903036 /nfs/dbraw/zinc/90/30/36/1037903036.db2.gz KOKJCEIIPAEZSN-SJLPKXTDSA-N 1 3 370.415 2.988 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C(F)(F)F)cc3C)C[C@H]1CNCC2 ZINC001236040295 1037903039 /nfs/dbraw/zinc/90/30/39/1037903039.db2.gz KOKJCEIIPAEZSN-SJLPKXTDSA-N 1 3 370.415 2.988 20 0 FFADHO c1ccc(N2CC[NH2+]CC2)c(CN2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001236059674 1037910619 /nfs/dbraw/zinc/91/06/19/1037910619.db2.gz JWKNXSVLTAVWEK-QHCPKHFHSA-N 1 3 362.521 2.511 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001236094605 1037930743 /nfs/dbraw/zinc/93/07/43/1037930743.db2.gz VKNIWJYMWZBPDH-KNQAVFIVSA-N 1 3 364.537 2.788 20 0 FFADHO c1cc(CN2CC[NH2+]CC2)cc(CN2CCOC[C@H]2C2CCCCC2)c1 ZINC001236434826 1038087865 /nfs/dbraw/zinc/08/78/65/1038087865.db2.gz WRTZXQXHTQZSNC-QFIPXVFZSA-N 1 3 357.542 2.873 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN(C2CCC3(CC2)OCCO3)CC1 ZINC001255630887 1038090329 /nfs/dbraw/zinc/09/03/29/1038090329.db2.gz SKFHPERVHIKBDF-UHFFFAOYSA-N 1 3 367.578 2.802 20 0 FFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001232012970 1038106324 /nfs/dbraw/zinc/10/63/24/1038106324.db2.gz BZWXIAZRICACSL-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001232012970 1038106337 /nfs/dbraw/zinc/10/63/37/1038106337.db2.gz BZWXIAZRICACSL-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc3cnccc3[nH]1)C2 ZINC001232012970 1038106340 /nfs/dbraw/zinc/10/63/40/1038106340.db2.gz BZWXIAZRICACSL-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc3cnccc3[nH]1)C2 ZINC001232012970 1038106349 /nfs/dbraw/zinc/10/63/49/1038106349.db2.gz BZWXIAZRICACSL-NQIIRXRSSA-N 1 3 354.498 2.743 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc5cnccc5[nH]4)C[C@@H]3C2=O)c1 ZINC001232015479 1038108457 /nfs/dbraw/zinc/10/84/57/1038108457.db2.gz XECRORKUNDAUOB-ICSRJNTNSA-N 1 3 360.461 2.962 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cc5cnccc5[nH]4)C[C@@H]3C2=O)c1 ZINC001232015479 1038108472 /nfs/dbraw/zinc/10/84/72/1038108472.db2.gz XECRORKUNDAUOB-ICSRJNTNSA-N 1 3 360.461 2.962 20 0 FFADHO Fc1cccc(F)c1CN(Cc1ccc2n1CCNC2)C1CC[NH2+]CC1 ZINC001236511068 1038115463 /nfs/dbraw/zinc/11/54/63/1038115463.db2.gz LWEOUNHWHXVWHK-UHFFFAOYSA-N 1 3 360.452 2.624 20 0 FFADHO Cc1cc(F)ccc1CN(Cc1ccc2n1CCNC2)C1CC[NH2+]CC1 ZINC001236522674 1038116822 /nfs/dbraw/zinc/11/68/22/1038116822.db2.gz WZMLDXRDXGKQLO-UHFFFAOYSA-N 1 3 356.489 2.793 20 0 FFADHO COc1cc(C)nc(OC2CC[NH+](CC3(CN(C)C)CCCC3)CC2)n1 ZINC001208188067 1038123214 /nfs/dbraw/zinc/12/32/14/1038123214.db2.gz FYKOHKAYWZUPSR-UHFFFAOYSA-N 1 3 362.518 2.759 20 0 FFADHO Nc1cc(CN(CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236553082 1038127793 /nfs/dbraw/zinc/12/77/93/1038127793.db2.gz WQECPZSWTVABRY-HDJSIYSDSA-N 1 3 353.308 2.908 20 0 FFADHO NC(=O)C1CCN(C2CC[NH+]([C@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC001255720534 1038143154 /nfs/dbraw/zinc/14/31/54/1038143154.db2.gz MFKJEMWKPCOHNI-HOCLYGCPSA-N 1 3 361.452 2.769 20 0 FFADHO CCCCN1CCC(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC001255807997 1038179911 /nfs/dbraw/zinc/17/99/11/1038179911.db2.gz LDUQTIGUTIZBIA-QGZVFWFLSA-N 1 3 352.544 2.951 20 0 FFADHO COc1cccc(OC)c1CN1CCC([NH2+]CC[C@H]2CCCN2C)CC1 ZINC001255925804 1038254196 /nfs/dbraw/zinc/25/41/96/1038254196.db2.gz TVLRPEQWXMZTCJ-GOSISDBHSA-N 1 3 361.530 2.742 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@@H]1CCN(C(C)C)C[C@@H]1C ZINC001256000418 1038304842 /nfs/dbraw/zinc/30/48/42/1038304842.db2.gz OVFJNTNZWUXPEC-FUHWJXTLSA-N 1 3 370.534 2.750 20 0 FFADHO C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208444994 1038320014 /nfs/dbraw/zinc/32/00/14/1038320014.db2.gz NIEHLCBOLWJTPD-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO OCCc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cc1 ZINC001278910004 1038373705 /nfs/dbraw/zinc/37/37/05/1038373705.db2.gz SBSJGZREFUVKSM-OYRHEFFESA-N 1 3 353.510 2.894 20 0 FFADHO OCCc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cc1 ZINC001278910004 1038373717 /nfs/dbraw/zinc/37/37/17/1038373717.db2.gz SBSJGZREFUVKSM-OYRHEFFESA-N 1 3 353.510 2.894 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208609522 1038442744 /nfs/dbraw/zinc/44/27/44/1038442744.db2.gz MFGPVWTVPLHGFR-MOPGFXCFSA-N 1 3 361.530 2.677 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208609522 1038442749 /nfs/dbraw/zinc/44/27/49/1038442749.db2.gz MFGPVWTVPLHGFR-MOPGFXCFSA-N 1 3 361.530 2.677 20 0 FFADHO CN(CC[NH+](C)C)C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001256282321 1038463601 /nfs/dbraw/zinc/46/36/01/1038463601.db2.gz ZJHDBSZGTBFNJC-UHFFFAOYSA-N 1 3 354.498 2.569 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1c[nH]c3ccc(O)cc13)CC2 ZINC001278931028 1038483301 /nfs/dbraw/zinc/48/33/01/1038483301.db2.gz IWWZKMADCRMSDN-UHFFFAOYSA-N 1 3 356.514 2.723 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1c[nH]c3ccc(O)cc13)CC2 ZINC001278931028 1038483303 /nfs/dbraw/zinc/48/33/03/1038483303.db2.gz IWWZKMADCRMSDN-UHFFFAOYSA-N 1 3 356.514 2.723 20 0 FFADHO C[C@@H]1C[C@@H](NCc2ccccc2-n2cnnn2)CC[N@@H+]1Cc1ccccc1 ZINC001256529531 1038546178 /nfs/dbraw/zinc/54/61/78/1038546178.db2.gz URIFEGBUGYXKBU-XLIONFOSSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@@H]1C[C@@H](NCc2ccccc2-n2cnnn2)CC[N@H+]1Cc1ccccc1 ZINC001256529531 1038546183 /nfs/dbraw/zinc/54/61/83/1038546183.db2.gz URIFEGBUGYXKBU-XLIONFOSSA-N 1 3 362.481 2.805 20 0 FFADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC1CCOCC1 ZINC001256619393 1038582456 /nfs/dbraw/zinc/58/24/56/1038582456.db2.gz BJUACDWKJFFNQQ-AYHJJNSGSA-N 1 3 360.498 2.968 20 0 FFADHO OCC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC001256680126 1038599466 /nfs/dbraw/zinc/59/94/66/1038599466.db2.gz YNSLWSIRUHSPRO-ACBHZAAOSA-N 1 3 352.906 2.997 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1)N1CCCC1 ZINC001208956883 1038607207 /nfs/dbraw/zinc/60/72/07/1038607207.db2.gz JVCWFQDZZJCWES-LEWJYISDSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1)N1CCCC1 ZINC001208956883 1038607210 /nfs/dbraw/zinc/60/72/10/1038607210.db2.gz JVCWFQDZZJCWES-LEWJYISDSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H](Cc1ccccc1Br)N1CCN(CCCC[NH3+])CC1 ZINC001256836335 1038631356 /nfs/dbraw/zinc/63/13/56/1038631356.db2.gz PYHJTCZTJQDTST-OAHLLOKOSA-N 1 3 354.336 2.737 20 0 FFADHO COc1cccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256854977 1038635820 /nfs/dbraw/zinc/63/58/20/1038635820.db2.gz CCUBXTVAJOVSJP-UHFFFAOYSA-N 1 3 352.482 2.881 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001209134826 1038678845 /nfs/dbraw/zinc/67/88/45/1038678845.db2.gz VTMGUPRSOVNPAZ-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001209134826 1038678849 /nfs/dbraw/zinc/67/88/49/1038678849.db2.gz VTMGUPRSOVNPAZ-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(CCN3CCOCC3)C[C@H]21 ZINC001209289407 1038743839 /nfs/dbraw/zinc/74/38/39/1038743839.db2.gz BOTZSJSHWAHTHB-DFQSSKMNSA-N 1 3 363.571 2.613 20 0 FFADHO C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(CCN3CCOCC3)C[C@H]21 ZINC001209289407 1038743844 /nfs/dbraw/zinc/74/38/44/1038743844.db2.gz BOTZSJSHWAHTHB-DFQSSKMNSA-N 1 3 363.571 2.613 20 0 FFADHO COc1ccc(N2C[C@]3(CCN(C4CC[NH+](C(C)C)CC4)C3)CC2=O)cc1 ZINC001257217380 1038747291 /nfs/dbraw/zinc/74/72/91/1038747291.db2.gz NKYNMNGTVFZEIV-JOCHJYFZSA-N 1 3 371.525 2.997 20 0 FFADHO CC(C)[NH+]1CCC(N2CCC3(CCN(CC(F)(F)F)C3=O)CC2)CC1 ZINC001257223470 1038750407 /nfs/dbraw/zinc/75/04/07/1038750407.db2.gz QTLYZWDJXSAGIC-UHFFFAOYSA-N 1 3 361.452 2.736 20 0 FFADHO COC(=O)[C@H]1CCC[N@@H+](C2CCN(CC3Cc4ccccc4C3)CC2)C1 ZINC001209323011 1038759601 /nfs/dbraw/zinc/75/96/01/1038759601.db2.gz KYROJLXHHTUROP-FQEVSTJZSA-N 1 3 356.510 2.751 20 0 FFADHO COC(=O)[C@H]1CCC[N@H+](C2CCN(CC3Cc4ccccc4C3)CC2)C1 ZINC001209323011 1038759607 /nfs/dbraw/zinc/75/96/07/1038759607.db2.gz KYROJLXHHTUROP-FQEVSTJZSA-N 1 3 356.510 2.751 20 0 FFADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC3CCC(OC)CC3)CC2)C1 ZINC001209400948 1038833541 /nfs/dbraw/zinc/83/35/41/1038833541.db2.gz DZQJAOUJOIJPSI-TVRKMHQQSA-N 1 3 352.519 2.541 20 0 FFADHO COC(=O)[C@@H]1CCC[N@H+](C2CCN(CC3CCC(OC)CC3)CC2)C1 ZINC001209400948 1038833576 /nfs/dbraw/zinc/83/35/76/1038833576.db2.gz DZQJAOUJOIJPSI-TVRKMHQQSA-N 1 3 352.519 2.541 20 0 FFADHO c1cncc(OC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3CCCN3CCCCC3)O2)c1 ZINC001209450508 1038877852 /nfs/dbraw/zinc/87/78/52/1038877852.db2.gz MDXPVNSOVTUPGQ-PWRODBHTSA-N 1 3 359.514 2.958 20 0 FFADHO c1cncc(OC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CCCN3CCCCC3)O2)c1 ZINC001209450508 1038877871 /nfs/dbraw/zinc/87/78/71/1038877871.db2.gz MDXPVNSOVTUPGQ-PWRODBHTSA-N 1 3 359.514 2.958 20 0 FFADHO Cc1nc(CN2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)sc1C ZINC001278412501 1039065002 /nfs/dbraw/zinc/06/50/02/1039065002.db2.gz SWWVQLIADQVIFL-IBGZPJMESA-N 1 3 350.576 3.000 20 0 FFADHO COc1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001209638711 1039093217 /nfs/dbraw/zinc/09/32/17/1039093217.db2.gz GTGPRASHIPYUOB-UHFFFAOYSA-N 1 3 352.482 2.973 20 0 FFADHO COc1cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001209638711 1039093233 /nfs/dbraw/zinc/09/32/33/1039093233.db2.gz GTGPRASHIPYUOB-UHFFFAOYSA-N 1 3 352.482 2.973 20 0 FFADHO CC(C)CN1CCC([NH2+]CCNC(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC001258008684 1039108015 /nfs/dbraw/zinc/10/80/15/1039108015.db2.gz CVFXZCQJNWOKDN-OAQYLSRUSA-N 1 3 357.542 2.933 20 0 FFADHO CC(C)CN1CCC([NH2+]CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258008307 1039108161 /nfs/dbraw/zinc/10/81/61/1039108161.db2.gz LYIOEDXGRYINES-GOSISDBHSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)CC1 ZINC001258018205 1039117531 /nfs/dbraw/zinc/11/75/31/1039117531.db2.gz XFFRKPQGKXPUAT-UHFFFAOYSA-N 1 3 359.514 2.749 20 0 FFADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001246027099 1039198773 /nfs/dbraw/zinc/19/87/73/1039198773.db2.gz WPMVNLXMYCWUHR-SUMDDJOVSA-N 1 3 362.514 2.561 20 0 FFADHO c1ccc(CCN2CCC([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)CC2)cc1 ZINC001258138418 1039218504 /nfs/dbraw/zinc/21/85/04/1039218504.db2.gz WGGGFKZCTWCXDL-AFARHQOCSA-N 1 3 371.569 2.927 20 0 FFADHO C[C@@H](CCc1ccc(Br)cc1)NC[C@@]1(O)CCCC[NH2+]C1 ZINC001246107487 1039246808 /nfs/dbraw/zinc/24/68/08/1039246808.db2.gz HBBUPUURXMRBPH-WMLDXEAASA-N 1 3 355.320 2.864 20 0 FFADHO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]1(O)CCCCNC1 ZINC001246107487 1039246812 /nfs/dbraw/zinc/24/68/12/1039246812.db2.gz HBBUPUURXMRBPH-WMLDXEAASA-N 1 3 355.320 2.864 20 0 FFADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]CCOc3ccc4c(c3)OCO4)CCN2)cc1 ZINC001246264220 1039289248 /nfs/dbraw/zinc/28/92/48/1039289248.db2.gz FCUWBSBIEXIXLA-ZWKOTPCHSA-N 1 3 354.450 2.747 20 0 FFADHO C[NH2+]C1CCC(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCCN2)CC1 ZINC001246258474 1039290247 /nfs/dbraw/zinc/29/02/47/1039290247.db2.gz CXFOPDRTVXVUPI-DCCYDQLOSA-N 1 3 359.514 2.566 20 0 FFADHO c1ccc(C[C@H]2C[C@H]([NH2+]CCOc3ccc4c(c3)OCO4)CCN2)cc1 ZINC001246264215 1039290461 /nfs/dbraw/zinc/29/04/61/1039290461.db2.gz FCUWBSBIEXIXLA-MSOLQXFVSA-N 1 3 354.450 2.747 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CCN1 ZINC001246388611 1039332992 /nfs/dbraw/zinc/33/29/92/1039332992.db2.gz FRZYIJLLQMGFFD-RHSMWYFYSA-N 1 3 370.946 2.560 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246408007 1039341339 /nfs/dbraw/zinc/34/13/39/1039341339.db2.gz BFOCLRSFQOPTCX-RMKZXBIPSA-N 1 3 368.562 2.703 20 0 FFADHO CCCC(CCC)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246409101 1039344791 /nfs/dbraw/zinc/34/47/91/1039344791.db2.gz ASSMCTKNFWFEOK-UURKPOQGSA-N 1 3 356.551 2.847 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001246606120 1039413198 /nfs/dbraw/zinc/41/31/98/1039413198.db2.gz RKGWJRSFQUCHAO-AWEZNQCLSA-N 1 3 358.404 2.971 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCc4c(C)cccc4C3)C[C@@H]1CNCCC2 ZINC001246610831 1039415008 /nfs/dbraw/zinc/41/50/08/1039415008.db2.gz SHGFIHNGBCKUNL-IPJJNNNSSA-N 1 3 356.510 2.717 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCc4c(C)cccc4C3)C[C@@H]1CNCCC2 ZINC001246610831 1039415013 /nfs/dbraw/zinc/41/50/13/1039415013.db2.gz SHGFIHNGBCKUNL-IPJJNNNSSA-N 1 3 356.510 2.717 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+]([C@H]4CC[C@H](C)NC4)C[C@H]2C3)c1 ZINC001246706823 1039443296 /nfs/dbraw/zinc/44/32/96/1039443296.db2.gz RZCFSVGYCZRLTG-RUENVJTFSA-N 1 3 366.509 2.808 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+]([C@H]4CC[C@H](C)NC4)C[C@H]2C3)c1 ZINC001246706823 1039443300 /nfs/dbraw/zinc/44/33/00/1039443300.db2.gz RZCFSVGYCZRLTG-RUENVJTFSA-N 1 3 366.509 2.808 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CC[NH+]([C@H]3CCN[C@@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738716 1039455754 /nfs/dbraw/zinc/45/57/54/1039455754.db2.gz CHDMKWYFGPNOBJ-ABSDTBQOSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738716 1039455760 /nfs/dbraw/zinc/45/57/60/1039455760.db2.gz CHDMKWYFGPNOBJ-ABSDTBQOSA-N 1 3 370.541 2.843 20 0 FFADHO C[C@@H]1CC[C@@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C[NH2+]1 ZINC001246754381 1039464868 /nfs/dbraw/zinc/46/48/68/1039464868.db2.gz IMPPCGHXTYRNTI-BHIYHBOVSA-N 1 3 364.484 2.755 20 0 FFADHO CN1C(=O)C[C@H](c2ccccc2)C12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246764786 1039471540 /nfs/dbraw/zinc/47/15/40/1039471540.db2.gz GLINRTUQTVNASK-JIRNRHONSA-N 1 3 353.510 2.750 20 0 FFADHO Brc1cccc([C@@H]2CN([C@H]3CC4CC[NH+](CC4)C3)CCN2)c1 ZINC001246808303 1039489759 /nfs/dbraw/zinc/48/97/59/1039489759.db2.gz WIZJSBSGBIYAMP-ROUUACIJSA-N 1 3 364.331 2.880 20 0 FFADHO CC[C@@H](C)C[C@@H](CC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258789431 1039512881 /nfs/dbraw/zinc/51/28/81/1039512881.db2.gz APNXOTBGUNMPPB-HUUCEWRRSA-N 1 3 350.507 2.539 20 0 FFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2ccc4c(c2)CCC4)CC3)cn1 ZINC001278480771 1039657228 /nfs/dbraw/zinc/65/72/28/1039657228.db2.gz STBJWMTZGXDJCA-UHFFFAOYSA-N 1 3 350.510 2.970 20 0 FFADHO OC[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001252950825 1039863114 /nfs/dbraw/zinc/86/31/14/1039863114.db2.gz GIKAUEQTXTZBCB-FPOVZHCZSA-N 1 3 374.912 2.643 20 0 FFADHO OC[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001252950825 1039863134 /nfs/dbraw/zinc/86/31/34/1039863134.db2.gz GIKAUEQTXTZBCB-FPOVZHCZSA-N 1 3 374.912 2.643 20 0 FFADHO O[C@@]1(CNC[C@H]2CCc3ccccc3O2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951548 1039867025 /nfs/dbraw/zinc/86/70/25/1039867025.db2.gz SLSROYGAURGEFC-IFMALSPDSA-N 1 3 352.478 2.607 20 0 FFADHO O[C@@]1(CNC[C@H]2CCc3ccccc3O2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951548 1039867052 /nfs/dbraw/zinc/86/70/52/1039867052.db2.gz SLSROYGAURGEFC-IFMALSPDSA-N 1 3 352.478 2.607 20 0 FFADHO FC(F)(F)c1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c(Cl)c1 ZINC001247830318 1039976867 /nfs/dbraw/zinc/97/68/67/1039976867.db2.gz MTYSTEJYNVQKDV-JTQLQIEISA-N 1 3 358.751 2.685 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCc1c[nH]c2cc(OC(F)(F)F)ccc12 ZINC001253406731 1040157531 /nfs/dbraw/zinc/15/75/31/1040157531.db2.gz UFMKSPNXKVDLFM-ZDUSSCGKSA-N 1 3 373.419 2.948 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001253430867 1040176483 /nfs/dbraw/zinc/17/64/83/1040176483.db2.gz MRBDEABPLCJVEY-YRPNKDGESA-N 1 3 374.525 2.717 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001253430867 1040176493 /nfs/dbraw/zinc/17/64/93/1040176493.db2.gz MRBDEABPLCJVEY-YRPNKDGESA-N 1 3 374.525 2.717 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@@](C)(O)C(=O)OCc2ccccc2)CC1 ZINC001253642257 1040280074 /nfs/dbraw/zinc/28/00/74/1040280074.db2.gz VEAZWICOKARLIC-OAQYLSRUSA-N 1 3 362.514 2.677 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@@](C)(O)C(=O)OCc2ccccc2)CC1 ZINC001253642257 1040280087 /nfs/dbraw/zinc/28/00/87/1040280087.db2.gz VEAZWICOKARLIC-OAQYLSRUSA-N 1 3 362.514 2.677 20 0 FFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC2CCN(Cc3cccnc3)CC2)cc1 ZINC001253847301 1040408850 /nfs/dbraw/zinc/40/88/50/1040408850.db2.gz MOMYDTSPOGXLHN-OAQYLSRUSA-N 1 3 369.509 2.632 20 0 FFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cs1 ZINC001248802297 1040436908 /nfs/dbraw/zinc/43/69/08/1040436908.db2.gz AYNHRCRRWPYFKA-RTBURBONSA-N 1 3 361.555 2.964 20 0 FFADHO OC1(C[NH2+]Cc2cnc3ccc(F)cn23)CCN(Cc2ccccc2)CC1 ZINC001254054673 1040555825 /nfs/dbraw/zinc/55/58/25/1040555825.db2.gz USETWZDIXKBBTQ-UHFFFAOYSA-N 1 3 368.456 2.590 20 0 FFADHO CC(=O)N1CCC(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)CC1 ZINC001254424710 1040712263 /nfs/dbraw/zinc/71/22/63/1040712263.db2.gz ZUWBDFSWLBXKKM-UHFFFAOYSA-N 1 3 352.482 2.676 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC1 ZINC001254518746 1040765794 /nfs/dbraw/zinc/76/57/94/1040765794.db2.gz OTPRDYDGVSLQAM-IRFCIJBXSA-N 1 3 359.514 2.816 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC1 ZINC001254518746 1040765805 /nfs/dbraw/zinc/76/58/05/1040765805.db2.gz OTPRDYDGVSLQAM-IRFCIJBXSA-N 1 3 359.514 2.816 20 0 FFADHO C[NH+]1CC2(C1)CCN(Cc1nc3ccc(OC(F)(F)F)cc3[nH]1)CC2 ZINC001249533965 1040851993 /nfs/dbraw/zinc/85/19/93/1040851993.db2.gz ZLMGXHWNQDXZJP-UHFFFAOYSA-N 1 3 354.376 2.989 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254814659 1040976581 /nfs/dbraw/zinc/97/65/81/1040976581.db2.gz ZADAWZRXSCRZOV-BRWVUGGUSA-N 1 3 367.534 2.617 20 0 FFADHO CN(CCC[NH+]1CCCC1)[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254821536 1040982137 /nfs/dbraw/zinc/98/21/37/1040982137.db2.gz HCKQTSGFZNIKCR-KRWDZBQOSA-N 1 3 367.534 2.573 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccc([Si](C)(C)C)cc1)C2 ZINC001278819684 1041007471 /nfs/dbraw/zinc/00/74/71/1041007471.db2.gz PIJZQKRUCLFFEQ-UHFFFAOYSA-N 1 3 359.634 2.691 20 0 FFADHO COCCC1([NH3+])CCN([C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254971778 1041077648 /nfs/dbraw/zinc/07/76/48/1041077648.db2.gz KVQPPQVFFRXZII-BBWFWOEESA-N 1 3 367.534 2.604 20 0 FFADHO CO[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001213931468 1041080374 /nfs/dbraw/zinc/08/03/74/1041080374.db2.gz KIJGBRTUFSXTOM-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001213931468 1041080392 /nfs/dbraw/zinc/08/03/92/1041080392.db2.gz KIJGBRTUFSXTOM-GUDVDZBRSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001213931042 1041080559 /nfs/dbraw/zinc/08/05/59/1041080559.db2.gz AKQOZUGQEJIOKM-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001213931042 1041080578 /nfs/dbraw/zinc/08/05/78/1041080578.db2.gz AKQOZUGQEJIOKM-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001213931469 1041082236 /nfs/dbraw/zinc/08/22/36/1041082236.db2.gz KIJGBRTUFSXTOM-QRVBRYPASA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001213931469 1041082254 /nfs/dbraw/zinc/08/22/54/1041082254.db2.gz KIJGBRTUFSXTOM-QRVBRYPASA-N 1 3 367.578 2.749 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261374736 1041196840 /nfs/dbraw/zinc/19/68/40/1041196840.db2.gz SHCGGSPLGIFWOY-FQEVSTJZSA-N 1 3 370.541 2.826 20 0 FFADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2Cc1cccc(Br)c1 ZINC001278589147 1041289998 /nfs/dbraw/zinc/28/99/98/1041289998.db2.gz BZJVQYVSMAKAKZ-IRXDYDNUSA-N 1 3 352.320 2.659 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C)C1CCC1 ZINC001214634421 1041512666 /nfs/dbraw/zinc/51/26/66/1041512666.db2.gz NGSUVODQMLQCIF-BHIYHBOVSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001214755022 1041563220 /nfs/dbraw/zinc/56/32/20/1041563220.db2.gz OOWVVJDRAZBBPT-FSPWUOQZSA-N 1 3 371.447 2.581 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001214757082 1041563426 /nfs/dbraw/zinc/56/34/26/1041563426.db2.gz AMRLOXYQGFAFKC-AYOQOUSVSA-N 1 3 367.484 2.751 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1ccc(F)cc1F ZINC001215414346 1041774825 /nfs/dbraw/zinc/77/48/25/1041774825.db2.gz UMCHKSLWCBPACO-HBUWYVDXSA-N 1 3 365.468 2.804 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ns2)C1)[NH+](CC)CC ZINC001215516719 1041811596 /nfs/dbraw/zinc/81/15/96/1041811596.db2.gz RVZOLBUDCNUPGA-XYPHTWIQSA-N 1 3 352.548 2.508 20 0 FFADHO COc1cccc(/C=C/CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001215685484 1041859770 /nfs/dbraw/zinc/85/97/70/1041859770.db2.gz RISDBVHOZAEFKO-WXQUJHJFSA-N 1 3 368.481 2.501 20 0 FFADHO CCc1ccc([C@H](CNC(=O)c2ncoc2C2CC[NH2+]CC2)N(C)C)cc1 ZINC001263093291 1042098179 /nfs/dbraw/zinc/09/81/79/1042098179.db2.gz VYVKYWNUUZALTL-SFHVURJKSA-N 1 3 370.497 2.737 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001263918970 1042531949 /nfs/dbraw/zinc/53/19/49/1042531949.db2.gz AUAFSQMWGIBOQL-XMCJSHEMSA-N 1 3 355.526 2.916 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264041045 1042592201 /nfs/dbraw/zinc/59/22/01/1042592201.db2.gz YFJQEFJGOVUUFO-RTBURBONSA-N 1 3 361.505 2.852 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]2C1 ZINC001264100712 1042625778 /nfs/dbraw/zinc/62/57/78/1042625778.db2.gz DJULEWBGFCOMJY-ZACQAIPSSA-N 1 3 357.489 2.542 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]2C1 ZINC001264100712 1042625782 /nfs/dbraw/zinc/62/57/82/1042625782.db2.gz DJULEWBGFCOMJY-ZACQAIPSSA-N 1 3 357.489 2.542 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2scnc2C)CC[N@@H+]1C ZINC001266043140 1042890751 /nfs/dbraw/zinc/89/07/51/1042890751.db2.gz TZXZLSZERMWYIC-JKSUJKDBSA-N 1 3 352.548 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2scnc2C)CC[N@H+]1C ZINC001266043140 1042890755 /nfs/dbraw/zinc/89/07/55/1042890755.db2.gz TZXZLSZERMWYIC-JKSUJKDBSA-N 1 3 352.548 2.510 20 0 FFADHO c1nc(CN2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cc2c1OCCO2 ZINC001279124976 1042909565 /nfs/dbraw/zinc/90/95/65/1042909565.db2.gz CNXKCZOUMSOHOP-CALCHBBNSA-N 1 3 357.498 2.939 20 0 FFADHO c1nc(CN2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cc2c1OCCO2 ZINC001279124976 1042909567 /nfs/dbraw/zinc/90/95/67/1042909567.db2.gz CNXKCZOUMSOHOP-CALCHBBNSA-N 1 3 357.498 2.939 20 0 FFADHO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCN1CCCCC1)C2 ZINC001279275280 1042979200 /nfs/dbraw/zinc/97/92/00/1042979200.db2.gz IVZOQNAMAKMNFW-HXUWFJFHSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCN1CCCCC1)C2 ZINC001279275280 1042979201 /nfs/dbraw/zinc/97/92/01/1042979201.db2.gz IVZOQNAMAKMNFW-HXUWFJFHSA-N 1 3 350.551 2.768 20 0 FFADHO Cc1cc(F)c(CN2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(F)c1 ZINC001279341061 1043012830 /nfs/dbraw/zinc/01/28/30/1043012830.db2.gz GPQPAGQMNPYWSL-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1cc(F)c(CN2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(F)c1 ZINC001279341061 1043012834 /nfs/dbraw/zinc/01/28/34/1043012834.db2.gz GPQPAGQMNPYWSL-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO COc1ncc(CN2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)cn1 ZINC001279390775 1043046593 /nfs/dbraw/zinc/04/65/93/1043046593.db2.gz YYKZQESAOUEENZ-CALCHBBNSA-N 1 3 373.526 2.594 20 0 FFADHO COc1ncc(CN2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)cn1 ZINC001279390775 1043046595 /nfs/dbraw/zinc/04/65/95/1043046595.db2.gz YYKZQESAOUEENZ-CALCHBBNSA-N 1 3 373.526 2.594 20 0 FFADHO Cc1cc(C[N@@H+]2CCC3(C2)CCN(Cc2ccncc2F)CC3)n(C)n1 ZINC001279399748 1043057307 /nfs/dbraw/zinc/05/73/07/1043057307.db2.gz IHUKNHRGHSVOJO-UHFFFAOYSA-N 1 3 357.477 2.751 20 0 FFADHO Cc1cc(C[N@H+]2CCC3(C2)CCN(Cc2ccncc2F)CC3)n(C)n1 ZINC001279399748 1043057320 /nfs/dbraw/zinc/05/73/20/1043057320.db2.gz IHUKNHRGHSVOJO-UHFFFAOYSA-N 1 3 357.477 2.751 20 0 FFADHO Brc1ccc(C[C@H]2CCC[N@@H+]2CC[C@H]2CNCCO2)cc1 ZINC001237258088 1043078227 /nfs/dbraw/zinc/07/82/27/1043078227.db2.gz KGUKSCJLGZMFBA-SJORKVTESA-N 1 3 353.304 2.835 20 0 FFADHO Brc1ccc(C[C@H]2CCC[N@H+]2CC[C@H]2CNCCO2)cc1 ZINC001237258088 1043078237 /nfs/dbraw/zinc/07/82/37/1043078237.db2.gz KGUKSCJLGZMFBA-SJORKVTESA-N 1 3 353.304 2.835 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cc(F)c(F)cc3F)C[C@H]2CC1 ZINC001279429269 1043103721 /nfs/dbraw/zinc/10/37/21/1043103721.db2.gz XEGMTXHTVJGUIF-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cc(F)c(F)cc3F)C[C@H]2CC1 ZINC001279429269 1043103725 /nfs/dbraw/zinc/10/37/25/1043103725.db2.gz XEGMTXHTVJGUIF-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cncc(-c3ccccc3)c2)CCC12C[NH2+]C2 ZINC001237431188 1043156840 /nfs/dbraw/zinc/15/68/40/1043156840.db2.gz ODKVBKFXIBOEQF-HXUWFJFHSA-N 1 3 365.477 2.723 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccccc2OC(C)(C)C)CCC12C[NH2+]C2 ZINC001237432945 1043158213 /nfs/dbraw/zinc/15/82/13/1043158213.db2.gz YDTIFXHTPGSVJJ-KRWDZBQOSA-N 1 3 360.498 2.839 20 0 FFADHO COCOc1cccc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)c1 ZINC001279476927 1043161510 /nfs/dbraw/zinc/16/15/10/1043161510.db2.gz WTJJXGVCWSFXKB-NRFANRHFSA-N 1 3 361.530 2.519 20 0 FFADHO COCOc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)c1 ZINC001279476927 1043161516 /nfs/dbraw/zinc/16/15/16/1043161516.db2.gz WTJJXGVCWSFXKB-NRFANRHFSA-N 1 3 361.530 2.519 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC3(CN(CCc4c[nH]c5ccccc45)C3)C2)C1 ZINC001279502779 1043195935 /nfs/dbraw/zinc/19/59/35/1043195935.db2.gz WXKFFWVOVSTYRM-SFHVURJKSA-N 1 3 352.526 2.670 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC3(CN(CCc4c[nH]c5ccccc45)C3)C2)C1 ZINC001279502779 1043195940 /nfs/dbraw/zinc/19/59/40/1043195940.db2.gz WXKFFWVOVSTYRM-SFHVURJKSA-N 1 3 352.526 2.670 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1ccsc1Br)CC2 ZINC001279515350 1043212908 /nfs/dbraw/zinc/21/29/08/1043212908.db2.gz OQUFLWMALAIGFX-UHFFFAOYSA-N 1 3 372.376 2.970 20 0 FFADHO COCc1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001279570735 1043272549 /nfs/dbraw/zinc/27/25/49/1043272549.db2.gz WLVFOHVRNMOEDW-HDICACEKSA-N 1 3 354.498 2.900 20 0 FFADHO COCc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001279570735 1043272558 /nfs/dbraw/zinc/27/25/58/1043272558.db2.gz WLVFOHVRNMOEDW-HDICACEKSA-N 1 3 354.498 2.900 20 0 FFADHO COc1ccc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c(C)n1 ZINC001279584772 1043297005 /nfs/dbraw/zinc/29/70/05/1043297005.db2.gz CRZCDQNLBMFRCE-UXHICEINSA-N 1 3 355.486 2.847 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001279590974 1043305333 /nfs/dbraw/zinc/30/53/33/1043305333.db2.gz IYCAGWOUIBKEDU-OAQYLSRUSA-N 1 3 360.546 2.663 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001279590974 1043305344 /nfs/dbraw/zinc/30/53/44/1043305344.db2.gz IYCAGWOUIBKEDU-OAQYLSRUSA-N 1 3 360.546 2.663 20 0 FFADHO Clc1ccc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)nc1 ZINC001279631047 1043370875 /nfs/dbraw/zinc/37/08/75/1043370875.db2.gz IYPGYBCVNOLRDO-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1ccc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)nc1 ZINC001279631047 1043370882 /nfs/dbraw/zinc/37/08/82/1043370882.db2.gz IYPGYBCVNOLRDO-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO Cc1cc(C[NH2+][C@@]23CC[C@@](NCc4c(C)n[nH]c4C)(C2)CCC3)n(C)n1 ZINC001279675393 1043446713 /nfs/dbraw/zinc/44/67/13/1043446713.db2.gz XVTYSSZCVQRDBU-VQTJNVASSA-N 1 3 356.518 2.793 20 0 FFADHO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2cccc4cncn42)CC3)n1 ZINC001238103929 1043537185 /nfs/dbraw/zinc/53/71/85/1043537185.db2.gz LNQFTZMONBTBGL-UHFFFAOYSA-N 1 3 364.497 2.698 20 0 FFADHO Cn1ccc(C[N@H+]2CCCC23CCN(Cc2cccc4cncn42)CC3)n1 ZINC001238103929 1043537191 /nfs/dbraw/zinc/53/71/91/1043537191.db2.gz LNQFTZMONBTBGL-UHFFFAOYSA-N 1 3 364.497 2.698 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001311562654 1043937871 /nfs/dbraw/zinc/93/78/71/1043937871.db2.gz DMYRXGVNPZACGF-FQEVSTJZSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001311562654 1043937885 /nfs/dbraw/zinc/93/78/85/1043937885.db2.gz DMYRXGVNPZACGF-FQEVSTJZSA-N 1 3 360.546 2.928 20 0 FFADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001311584918 1043944374 /nfs/dbraw/zinc/94/43/74/1043944374.db2.gz UOCGYFJNKQBEGF-UHFFFAOYSA-N 1 3 370.607 2.577 20 0 FFADHO CC[NH+](CC)CCn1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cn1 ZINC001239209670 1044070083 /nfs/dbraw/zinc/07/00/83/1044070083.db2.gz XVONATVCQAQIRF-UHFFFAOYSA-N 1 3 370.545 2.817 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(OC(F)(F)F)cc1 ZINC001239218412 1044074071 /nfs/dbraw/zinc/07/40/71/1044074071.db2.gz ZNBANPAOEOUQAT-CYBMUJFWSA-N 1 3 372.391 2.581 20 0 FFADHO FC(F)(F)c1cccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239364470 1044104450 /nfs/dbraw/zinc/10/44/50/1044104450.db2.gz YYJUBZNPEMMWNP-CQSZACIVSA-N 1 3 372.460 2.866 20 0 FFADHO Fc1ccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1Cl ZINC001239364314 1044104728 /nfs/dbraw/zinc/10/47/28/1044104728.db2.gz VZESDLUVFLUDPM-GFCCVEGCSA-N 1 3 356.898 2.640 20 0 FFADHO CCN(C(=O)[C@@H]1CCSC12CN(CC1(C)CC[NH+](C)CC1)C2)C(C)C ZINC001280211518 1044405399 /nfs/dbraw/zinc/40/53/99/1044405399.db2.gz VULVMSSVQMHYCO-KRWDZBQOSA-N 1 3 367.603 2.783 20 0 FFADHO FC(F)(F)CCCN1CCO[C@@]2(CCC[N@H+](CCN3CCCC3)C2)C1 ZINC001280224789 1044422316 /nfs/dbraw/zinc/42/23/16/1044422316.db2.gz VOMXNSIHPXAEJK-QGZVFWFLSA-N 1 3 363.468 2.592 20 0 FFADHO FC(F)(F)CCCN1CCO[C@@]2(CCC[N@@H+](CCN3CCCC3)C2)C1 ZINC001280224789 1044422323 /nfs/dbraw/zinc/42/23/23/1044422323.db2.gz VOMXNSIHPXAEJK-QGZVFWFLSA-N 1 3 363.468 2.592 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313858449 1044432981 /nfs/dbraw/zinc/43/29/81/1044432981.db2.gz APLOEBVNLJGTKJ-LNLFQRSKSA-N 1 3 362.566 2.626 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313858449 1044432989 /nfs/dbraw/zinc/43/29/89/1044432989.db2.gz APLOEBVNLJGTKJ-LNLFQRSKSA-N 1 3 362.566 2.626 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001313858941 1044433404 /nfs/dbraw/zinc/43/34/04/1044433404.db2.gz CSSRNOJPPFBGHH-SJORKVTESA-N 1 3 350.555 2.624 20 0 FFADHO CCC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(O)cc3O)CC2)CC1 ZINC001280271022 1044509128 /nfs/dbraw/zinc/50/91/28/1044509128.db2.gz NSQQMANRDYXOIS-UHFFFAOYSA-N 1 3 361.486 2.623 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2CCCc1ccccc1 ZINC001280277313 1044522037 /nfs/dbraw/zinc/52/20/37/1044522037.db2.gz GYVSNUUWGAXTHX-IRLDBZIGSA-N 1 3 357.542 2.884 20 0 FFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)CC2)CC1 ZINC001318543783 1044739520 /nfs/dbraw/zinc/73/95/20/1044739520.db2.gz CETBBILCQZDCAW-CSODTCANSA-N 1 3 350.551 2.765 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318801640 1044884942 /nfs/dbraw/zinc/88/49/42/1044884942.db2.gz VFPZVVCIEYODLC-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318801640 1044884950 /nfs/dbraw/zinc/88/49/50/1044884950.db2.gz VFPZVVCIEYODLC-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO CN1CCN(c2cccc(-c3cccc(CN4CC[C@@H]([NH3+])C4)c3)c2)CC1 ZINC001243670352 1044987832 /nfs/dbraw/zinc/98/78/32/1044987832.db2.gz BMSJSKSZJQTBNP-OAQYLSRUSA-N 1 3 350.510 2.638 20 0 FFADHO CN1CCN(c2cccc(-c3ccc4c([C@@H]5CCC[NH2+]5)nnn4c3)c2)CC1 ZINC001243668645 1044988578 /nfs/dbraw/zinc/98/85/78/1044988578.db2.gz KOCNDDSSHFSTPC-IBGZPJMESA-N 1 3 362.481 2.573 20 0 FFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3n[nH]c4ccc(F)cc43)(C1)CCC2 ZINC001278378644 1045114005 /nfs/dbraw/zinc/11/40/05/1045114005.db2.gz CGPDILNBMKEERH-VQTJNVASSA-N 1 3 359.493 2.788 20 0 FFADHO Cn1cc(N2CC[C@H](NCC(C)(C)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC001320663243 1045445302 /nfs/dbraw/zinc/44/53/02/1045445302.db2.gz CKAQHXJPXMARDX-IBGZPJMESA-N 1 3 355.530 2.747 20 0 FFADHO Cn1cc(N2CC[C@H](NCC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC001320663243 1045445305 /nfs/dbraw/zinc/44/53/05/1045445305.db2.gz CKAQHXJPXMARDX-IBGZPJMESA-N 1 3 355.530 2.747 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC001320823885 1045475687 /nfs/dbraw/zinc/47/56/87/1045475687.db2.gz ZJUYSEFIAPSMDI-BBWFWOEESA-N 1 3 359.514 2.843 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001322336376 1046048228 /nfs/dbraw/zinc/04/82/28/1046048228.db2.gz KFWZHSCMMNNPEB-NRFANRHFSA-N 1 3 373.541 2.524 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322741147 1046205856 /nfs/dbraw/zinc/20/58/56/1046205856.db2.gz TYEYVTCIIXOUAI-OALUTQOASA-N 1 3 364.509 2.772 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCC=C(Cl)Cl)C2CC2)CC[N@@H+]1C ZINC001283503016 1046393227 /nfs/dbraw/zinc/39/32/27/1046393227.db2.gz OLRGWVMMYNTYCH-ZNMIVQPWSA-N 1 3 362.345 2.862 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCC=C(Cl)Cl)C2CC2)CC[N@H+]1C ZINC001283503016 1046393243 /nfs/dbraw/zinc/39/32/43/1046393243.db2.gz OLRGWVMMYNTYCH-ZNMIVQPWSA-N 1 3 362.345 2.862 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001290867191 1048462142 /nfs/dbraw/zinc/46/21/42/1048462142.db2.gz KQTFJVWCBTZINJ-UHFFFAOYSA-N 1 3 374.577 2.773 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001290867191 1048462149 /nfs/dbraw/zinc/46/21/49/1048462149.db2.gz KQTFJVWCBTZINJ-UHFFFAOYSA-N 1 3 374.577 2.773 20 0 FFADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001294692828 1049795093 /nfs/dbraw/zinc/79/50/93/1049795093.db2.gz DJLILWZCMNREQG-JENIJYKNSA-N 1 3 362.566 2.770 20 0 FFADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001294692828 1049795096 /nfs/dbraw/zinc/79/50/96/1049795096.db2.gz DJLILWZCMNREQG-JENIJYKNSA-N 1 3 362.566 2.770 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001295978173 1050007921 /nfs/dbraw/zinc/00/79/21/1050007921.db2.gz JVQOFVNNCPZTOO-QZTJIDSGSA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CCCCC[NH+]2CCCC2)C[C@@H]1C ZINC001295981880 1050008499 /nfs/dbraw/zinc/00/84/99/1050008499.db2.gz SGTBPMYCOLOGTD-ZWKOTPCHSA-N 1 3 362.566 2.772 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(F)c2)C1)CC(C)(C)C ZINC001316660423 1050076254 /nfs/dbraw/zinc/07/62/54/1050076254.db2.gz NZFVYNYPFSQMNL-MAUKXSAKSA-N 1 3 364.509 2.573 20 0 FFADHO Cc1ccc([C@H](CNC(=O)C2(C(F)(F)F)CC[NH2+]CC2)N(C)C)cc1 ZINC001341569422 1050196278 /nfs/dbraw/zinc/19/62/78/1050196278.db2.gz OGVSOCRMKQDWAL-HNNXBMFYSA-N 1 3 357.420 2.646 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1cn2cc(C[NH3+])ccc2n1)c1ccsc1 ZINC001341643755 1050271746 /nfs/dbraw/zinc/27/17/46/1050271746.db2.gz FBLNJDYSZOLLOI-KRWDZBQOSA-N 1 3 371.510 2.667 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc4c(c3)OCCNC4)C2)CC1 ZINC001340061725 1050469885 /nfs/dbraw/zinc/46/98/85/1050469885.db2.gz KSMYLBKPVCQZCZ-GOSISDBHSA-N 1 3 371.525 2.753 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc2c(s1)C[NH2+]CC2 ZINC001340173976 1050580340 /nfs/dbraw/zinc/58/03/40/1050580340.db2.gz WDUQVESYFCTUBL-UHFFFAOYSA-N 1 3 371.506 2.603 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](C[C@H]3COCCN3)c3ccccc32)CC1 ZINC001342000830 1050597675 /nfs/dbraw/zinc/59/76/75/1050597675.db2.gz NEBHHFCAPRNNIN-OALUTQOASA-N 1 3 371.525 2.616 20 0 FFADHO [NH3+]CC[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)c2ccccc21 ZINC001340775719 1051125366 /nfs/dbraw/zinc/12/53/66/1051125366.db2.gz BEXNVISXBWDZHD-QGZVFWFLSA-N 1 3 357.498 2.501 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](OCC)C1 ZINC001316686390 1051140568 /nfs/dbraw/zinc/14/05/68/1051140568.db2.gz LVBABRFHZLLBHE-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342756332 1051372150 /nfs/dbraw/zinc/37/21/50/1051372150.db2.gz HKWLIDPVHYAKPY-NYUBLWNDSA-N 1 3 369.509 2.512 20 0 FFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342756332 1051372155 /nfs/dbraw/zinc/37/21/55/1051372155.db2.gz HKWLIDPVHYAKPY-NYUBLWNDSA-N 1 3 369.509 2.512 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])cc2)CC1 ZINC001341448319 1051804207 /nfs/dbraw/zinc/80/42/07/1051804207.db2.gz OAGYLCJGWFYHMS-DENIHFKCSA-N 1 3 370.541 2.561 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001343190127 1052043606 /nfs/dbraw/zinc/04/36/06/1052043606.db2.gz XGMZWVWSPSGVDS-HZEGPAAWSA-N 1 3 372.557 2.879 20 0 FFADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001307056044 1052246183 /nfs/dbraw/zinc/24/61/83/1052246183.db2.gz SYQBFMHTXATFJM-HXUWFJFHSA-N 1 3 374.577 2.916 20 0 FFADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001307056044 1052246189 /nfs/dbraw/zinc/24/61/89/1052246189.db2.gz SYQBFMHTXATFJM-HXUWFJFHSA-N 1 3 374.577 2.916 20 0 FFADHO C[C@H](CN1CCOCC1)[N@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001307731399 1052342433 /nfs/dbraw/zinc/34/24/33/1052342433.db2.gz HIGSGSZEJFZZLY-OAQYLSRUSA-N 1 3 373.585 2.984 20 0 FFADHO C[C@H](CN1CCOCC1)[N@@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001307731399 1052342438 /nfs/dbraw/zinc/34/24/38/1052342438.db2.gz HIGSGSZEJFZZLY-OAQYLSRUSA-N 1 3 373.585 2.984 20 0 FFADHO CC(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001344126678 1052613363 /nfs/dbraw/zinc/61/33/63/1052613363.db2.gz XKDLKYCYBAGGTP-RBUKOAKNSA-N 1 3 374.577 2.808 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](Cc4ccccc4)CC3=O)C[C@H]2C1 ZINC001334748737 1053058513 /nfs/dbraw/zinc/05/85/13/1053058513.db2.gz RESIQBDYGDHIGO-DOIPELPJSA-N 1 3 355.526 2.697 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@]32C[NH3+])N(C)C)cc1 ZINC001336101688 1053769593 /nfs/dbraw/zinc/76/95/93/1053769593.db2.gz WAVYEVQGHIRORH-LMNJBCLMSA-N 1 3 374.529 2.599 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001336715470 1054161811 /nfs/dbraw/zinc/16/18/11/1054161811.db2.gz MOFNSMNRYKWIJN-SZVBFZGTSA-N 1 3 362.543 2.716 20 0 FFADHO CC(C)(CNC(=O)NC1(C2CC[NH2+]CC2)CC1)N1CCc2ccccc2C1 ZINC001336732506 1054175230 /nfs/dbraw/zinc/17/52/30/1054175230.db2.gz DCKPKRVLVKPLNZ-UHFFFAOYSA-N 1 3 370.541 2.655 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)N2CCCC2)cc1 ZINC001336786000 1054224715 /nfs/dbraw/zinc/22/47/15/1054224715.db2.gz XKDFYBRXHNBKFA-PZJWPPBQSA-N 1 3 356.514 2.669 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)N2CCCC2)cc1 ZINC001336785998 1054224836 /nfs/dbraw/zinc/22/48/36/1054224836.db2.gz XKDFYBRXHNBKFA-CTNGQTDRSA-N 1 3 356.514 2.669 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)N(C)C)cc1 ZINC001336891734 1054320477 /nfs/dbraw/zinc/32/04/77/1054320477.db2.gz PJQVOEFFMUBPTP-CTNGQTDRSA-N 1 3 374.529 2.614 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[C@@H](SC)C3)CC2)CC1 ZINC001349811860 1055481146 /nfs/dbraw/zinc/48/11/46/1055481146.db2.gz OLBKEVFXSAWAAN-RTBURBONSA-N 1 3 367.603 2.925 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001338529638 1055595613 /nfs/dbraw/zinc/59/56/13/1055595613.db2.gz ODJHEPXRBOBCIN-NHCUHLMSSA-N 1 3 357.542 2.932 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001338529638 1055595621 /nfs/dbraw/zinc/59/56/21/1055595621.db2.gz ODJHEPXRBOBCIN-NHCUHLMSSA-N 1 3 357.542 2.932 20 0 FFADHO COc1ccc(CNC(=[NH2+])NCC2(N(C)C)CCCCCC2)cc1OC ZINC000849053463 1055603157 /nfs/dbraw/zinc/60/31/57/1055603157.db2.gz LQUNWWUAFIJYKF-UHFFFAOYSA-N 1 3 362.518 2.972 20 0 FFADHO CN(CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000849058825 1055611847 /nfs/dbraw/zinc/61/18/47/1055611847.db2.gz VTHHMMGLJJBFRP-UHFFFAOYSA-N 1 3 361.509 2.737 20 0 FFADHO [NH2+]=C(NC[C@H](O)C1CCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849070022 1055628715 /nfs/dbraw/zinc/62/87/15/1055628715.db2.gz CNKOOTINOKQTFK-FQEVSTJZSA-N 1 3 358.530 2.706 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCCCN1C ZINC001358414874 1056300776 /nfs/dbraw/zinc/30/07/76/1056300776.db2.gz LWUMRZYCUHHEFR-FQEVSTJZSA-N 1 3 373.545 2.814 20 0 FFADHO CCC(C)(C)N1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2C)CC1 ZINC001339394440 1056409682 /nfs/dbraw/zinc/40/96/82/1056409682.db2.gz GYJFEFXSSLUXBA-AYHJJNSGSA-N 1 3 374.577 2.541 20 0 FFADHO CCC(C)(C)N1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2C)CC1 ZINC001339394440 1056409683 /nfs/dbraw/zinc/40/96/83/1056409683.db2.gz GYJFEFXSSLUXBA-AYHJJNSGSA-N 1 3 374.577 2.541 20 0 FFADHO Cc1ccc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000849101094 1056760960 /nfs/dbraw/zinc/76/09/60/1056760960.db2.gz YJQHEAXCGFPBMA-UHFFFAOYSA-N 1 3 351.498 2.711 20 0 FFADHO COCC1(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000849113813 1056767485 /nfs/dbraw/zinc/76/74/85/1056767485.db2.gz KGESQTMCISHOEG-UHFFFAOYSA-N 1 3 358.530 2.972 20 0 FFADHO S=C(NCCN1CCCCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001200438238 1058177400 /nfs/dbraw/zinc/17/74/00/1058177400.db2.gz VRQAUEBYZCYQKT-FQEVSTJZSA-N 1 3 374.598 2.849 20 0 FFADHO S=C(NCCN1CCCCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001200438238 1058177408 /nfs/dbraw/zinc/17/74/08/1058177408.db2.gz VRQAUEBYZCYQKT-FQEVSTJZSA-N 1 3 374.598 2.849 20 0 FFADHO CC(C)Cc1ccc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001499230664 1058270745 /nfs/dbraw/zinc/27/07/45/1058270745.db2.gz CKMSWPMJYLUPCM-YLJYHZDGSA-N 1 3 357.542 2.964 20 0 FFADHO CC(C)Cc1ccc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC001499230664 1058270760 /nfs/dbraw/zinc/27/07/60/1058270760.db2.gz CKMSWPMJYLUPCM-YLJYHZDGSA-N 1 3 357.542 2.964 20 0 FFADHO C[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1 ZINC001354684190 1059360971 /nfs/dbraw/zinc/36/09/71/1059360971.db2.gz WUEPTLLWUPMDMQ-GFCCVEGCSA-N 1 3 352.442 2.570 20 0 FFADHO Cc1cnc(CN[C@@H](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)s1 ZINC001506179787 1059449638 /nfs/dbraw/zinc/44/96/38/1059449638.db2.gz WORMEZGDTZYMBA-ZACQAIPSSA-N 1 3 366.575 2.754 20 0 FFADHO Cc1cnc(CN[C@@H](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)s1 ZINC001506179787 1059449645 /nfs/dbraw/zinc/44/96/45/1059449645.db2.gz WORMEZGDTZYMBA-ZACQAIPSSA-N 1 3 366.575 2.754 20 0 FFADHO CCN(C)[C@H](C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC001454261476 1059474782 /nfs/dbraw/zinc/47/47/82/1059474782.db2.gz PHRPZASIRNWADN-RTWAWAEBSA-N 1 3 369.484 2.862 20 0 FFADHO C[N@@H+]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCC1(C)C ZINC001454266663 1059477727 /nfs/dbraw/zinc/47/77/27/1059477727.db2.gz JJKDCWPLXSXEBD-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO C[N@H+]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCC1(C)C ZINC001454266663 1059477741 /nfs/dbraw/zinc/47/77/41/1059477741.db2.gz JJKDCWPLXSXEBD-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2ccncc2Cl)CC[N@@H+]1C ZINC001506921793 1059578197 /nfs/dbraw/zinc/57/81/97/1059578197.db2.gz KCFCHGHSTHMUTR-UWWQBHOKSA-N 1 3 366.937 2.840 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2ccncc2Cl)CC[N@H+]1C ZINC001506921793 1059578206 /nfs/dbraw/zinc/57/82/06/1059578206.db2.gz KCFCHGHSTHMUTR-UWWQBHOKSA-N 1 3 366.937 2.840 20 0 FFADHO Cc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001507079353 1059597617 /nfs/dbraw/zinc/59/76/17/1059597617.db2.gz KRGURANKDRCIEH-BFYDXBDKSA-N 1 3 351.922 2.925 20 0 FFADHO Cc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001507079353 1059597637 /nfs/dbraw/zinc/59/76/37/1059597637.db2.gz KRGURANKDRCIEH-BFYDXBDKSA-N 1 3 351.922 2.925 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001515814694 1059815770 /nfs/dbraw/zinc/81/57/70/1059815770.db2.gz LKGZYSNAWWFVAW-DLBZAZTESA-N 1 3 360.550 2.560 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001520700117 1059975242 /nfs/dbraw/zinc/97/52/42/1059975242.db2.gz VWRONZIPODAGDE-AYHJJNSGSA-N 1 3 374.577 2.634 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001520700117 1059975258 /nfs/dbraw/zinc/97/52/58/1059975258.db2.gz VWRONZIPODAGDE-AYHJJNSGSA-N 1 3 374.577 2.634 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc4nsnc43)cc2)CC1 ZINC001461055255 1061198500 /nfs/dbraw/zinc/19/85/00/1061198500.db2.gz VQIRGSHEIXJECI-UHFFFAOYSA-N 1 3 367.522 2.729 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H]([S@](C)=O)C2)CC1 ZINC001461803756 1061411370 /nfs/dbraw/zinc/41/13/70/1061411370.db2.gz CSORCJYJPHQSMA-RRQZXNHTSA-N 1 3 363.571 2.608 20 0 FFADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001462150478 1061518400 /nfs/dbraw/zinc/51/84/00/1061518400.db2.gz VOGACMAUIMBEDZ-KRWDZBQOSA-N 1 3 355.567 2.750 20 0 FFADHO COc1cccc(C2CC(NCC(=O)NCC[NH+]3CCCCCC3)C2)c1 ZINC001462297908 1061574591 /nfs/dbraw/zinc/57/45/91/1061574591.db2.gz UJFXBHGXMDKIHP-UHFFFAOYSA-N 1 3 359.514 2.523 20 0 FFADHO CCc1[nH]c(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1C(=O)OC ZINC001462371095 1061596469 /nfs/dbraw/zinc/59/64/69/1061596469.db2.gz ZILPXWOUODHSJN-APWZRJJASA-N 1 3 355.482 2.799 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCN1C ZINC001477236513 1061640250 /nfs/dbraw/zinc/64/02/50/1061640250.db2.gz VYQRQYGASNPDAQ-FXAWDEMLSA-N 1 3 358.530 2.810 20 0 FFADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001477472528 1061714048 /nfs/dbraw/zinc/71/40/48/1061714048.db2.gz BNWWBBPMFZYFAB-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001477472528 1061714069 /nfs/dbraw/zinc/71/40/69/1061714069.db2.gz BNWWBBPMFZYFAB-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC001479055750 1062206323 /nfs/dbraw/zinc/20/63/23/1062206323.db2.gz FSKQLJSKDNLLAR-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)C2)cc1 ZINC001479156860 1062258535 /nfs/dbraw/zinc/25/85/35/1062258535.db2.gz JRVKEVNDVLFTAH-IBGZPJMESA-N 1 3 360.546 2.799 20 0 FFADHO CCC(CC)[C@H](Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)[NH+](C)C ZINC001545805789 1062316301 /nfs/dbraw/zinc/31/63/01/1062316301.db2.gz SEDSWVCGKJXWFP-BXWFABGCSA-N 1 3 364.582 2.872 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001479490919 1062476147 /nfs/dbraw/zinc/47/61/47/1062476147.db2.gz OYLMTJKCDCHHQV-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001479490919 1062476153 /nfs/dbraw/zinc/47/61/53/1062476153.db2.gz OYLMTJKCDCHHQV-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO CCO[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001479542513 1062512118 /nfs/dbraw/zinc/51/21/18/1062512118.db2.gz OWUNZSJSAJKGFS-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC001435630078 1062527754 /nfs/dbraw/zinc/52/77/54/1062527754.db2.gz XPXICLOBSMVKEY-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC001435630078 1062527768 /nfs/dbraw/zinc/52/77/68/1062527768.db2.gz XPXICLOBSMVKEY-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001479729788 1062973255 /nfs/dbraw/zinc/97/32/55/1062973255.db2.gz JTYJERSQIJMKQY-AABGKKOBSA-N 1 3 367.578 2.891 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H]1C ZINC001479729788 1062973273 /nfs/dbraw/zinc/97/32/73/1062973273.db2.gz JTYJERSQIJMKQY-AABGKKOBSA-N 1 3 367.578 2.891 20 0 FFADHO C[C@@H](CNCc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498045019 1063789387 /nfs/dbraw/zinc/78/93/87/1063789387.db2.gz FUKRTAJAOVHEDK-HWWQOWPSSA-N 1 3 358.313 2.928 20 0 FFADHO C[C@@H](CNCc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498045019 1063789403 /nfs/dbraw/zinc/78/94/03/1063789403.db2.gz FUKRTAJAOVHEDK-HWWQOWPSSA-N 1 3 358.313 2.928 20 0 FFADHO CC(C)([NH3+])CCNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001575354285 1078131339 /nfs/dbraw/zinc/13/13/39/1078131339.db2.gz VKYJCDOQPSGNRK-UHFFFAOYSA-N 1 3 354.498 2.792 20 0 FFADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001575410560 1078138501 /nfs/dbraw/zinc/13/85/01/1078138501.db2.gz SODXBVLOHBDDEG-WMZOPIPTSA-N 1 3 353.457 2.633 20 0 FFADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001575410558 1078138613 /nfs/dbraw/zinc/13/86/13/1078138613.db2.gz SODXBVLOHBDDEG-SJLPKXTDSA-N 1 3 353.457 2.633 20 0 FFADHO CC(C)CN1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2=CCCCC2)CC1 ZINC001575601467 1078156568 /nfs/dbraw/zinc/15/65/68/1078156568.db2.gz PUDVZIHDGSJMSS-KDURUIRLSA-N 1 3 372.561 2.761 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)N(C)C)cc1 ZINC001472470913 1065075637 /nfs/dbraw/zinc/07/56/37/1065075637.db2.gz QVKQNMVRSFJLSF-CTNGQTDRSA-N 1 3 366.509 2.889 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC001473986118 1065434483 /nfs/dbraw/zinc/43/44/83/1065434483.db2.gz MIAIHTGWNYVTCB-MRXNPFEDSA-N 1 3 355.473 2.960 20 0 FFADHO Cc1cc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)s1 ZINC001474071847 1065451773 /nfs/dbraw/zinc/45/17/73/1065451773.db2.gz FSZXJGPJTFAIFX-IBGZPJMESA-N 1 3 359.539 2.744 20 0 FFADHO C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC23CCC3)CCN1Cc1ccccc1 ZINC001576718866 1078265141 /nfs/dbraw/zinc/26/51/41/1078265141.db2.gz UUJJEAPZTNIAER-ICSRJNTNSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1C[NH2+][C@@H](C)CN1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001576802519 1078276190 /nfs/dbraw/zinc/27/61/90/1078276190.db2.gz YIDHLXBCIGRKAB-DLBZAZTESA-N 1 3 350.938 2.534 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C2CC2)nnc1N1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC001577684541 1078387672 /nfs/dbraw/zinc/38/76/72/1078387672.db2.gz CTXLPFSBNBOELZ-RDJZCZTQSA-N 1 3 372.517 2.630 20 0 FFADHO CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2(C)CCCC2)C[C@@H]1C ZINC001577758997 1078397357 /nfs/dbraw/zinc/39/73/57/1078397357.db2.gz DEXLMFWPHFLPCO-XLAORIBOSA-N 1 3 374.577 2.982 20 0 FFADHO CN(C)[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC001578407683 1078470519 /nfs/dbraw/zinc/47/05/19/1078470519.db2.gz BALHQVCJAVHSKE-MSOLQXFVSA-N 1 3 372.492 2.525 20 0 FFADHO C[NH2+]C[C@@H]1CCN(c2nnc(C(C)C)n2CCN(C)Cc2ccccc2)C1 ZINC001578670091 1078513774 /nfs/dbraw/zinc/51/37/74/1078513774.db2.gz YDSJDOCCOQVLEF-IBGZPJMESA-N 1 3 370.545 2.579 20 0 FFADHO COc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)nc1 ZINC001579212588 1078590349 /nfs/dbraw/zinc/59/03/49/1078590349.db2.gz FRLSLUOLNHWWKS-UHFFFAOYSA-N 1 3 355.486 2.660 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc(Cl)n1 ZINC001579571818 1078643893 /nfs/dbraw/zinc/64/38/93/1078643893.db2.gz XTLAXZXYQMUHGI-AWEZNQCLSA-N 1 3 352.910 2.812 20 0 FFADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001549794256 1074023277 /nfs/dbraw/zinc/02/32/77/1074023277.db2.gz VLQFVPDSWAXSDH-VAMGGRTRSA-N 1 3 350.466 2.897 20 0 FFADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)n[nH]1 ZINC001550349488 1074223236 /nfs/dbraw/zinc/22/32/36/1074223236.db2.gz PDSVLCATMZVCLC-JOCLIGHLSA-N 1 3 369.513 2.691 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC001552359382 1075065818 /nfs/dbraw/zinc/06/58/18/1075065818.db2.gz BYBKHLLQNSFFCP-RBUKOAKNSA-N 1 3 357.523 2.771 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC001552359382 1075065822 /nfs/dbraw/zinc/06/58/22/1075065822.db2.gz BYBKHLLQNSFFCP-RBUKOAKNSA-N 1 3 357.523 2.771 20 0 FFADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)cn1 ZINC001552964113 1075179797 /nfs/dbraw/zinc/17/97/97/1075179797.db2.gz WCSFOIAFRPVYMI-MBOZVWFJSA-N 1 3 355.486 2.586 20 0 FFADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@H+]2CCN(c3ccncc3)[C@H](C)C2)cn1 ZINC001552964113 1075179801 /nfs/dbraw/zinc/17/98/01/1075179801.db2.gz WCSFOIAFRPVYMI-MBOZVWFJSA-N 1 3 355.486 2.586 20 0 FFADHO CCn1cc([C@@H]2OCC[C@@H]2CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC001552964113 1075179805 /nfs/dbraw/zinc/17/98/05/1075179805.db2.gz WCSFOIAFRPVYMI-MBOZVWFJSA-N 1 3 355.486 2.586 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001553295570 1075274980 /nfs/dbraw/zinc/27/49/80/1075274980.db2.gz KOCOCHNYXANKDS-RCCFBDPRSA-N 1 3 374.529 2.951 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001556098203 1075700247 /nfs/dbraw/zinc/70/02/47/1075700247.db2.gz JEXIAAILHVNUMV-RXVVDRJESA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@H]3C)C[N@@H+]2C1 ZINC001556898966 1075786824 /nfs/dbraw/zinc/78/68/24/1075786824.db2.gz UTXKOIJRNJNUEA-GZSKETOLSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@H]3C)C[N@H+]2C1 ZINC001556898966 1075786828 /nfs/dbraw/zinc/78/68/28/1075786828.db2.gz UTXKOIJRNJNUEA-GZSKETOLSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC001558132258 1075948292 /nfs/dbraw/zinc/94/82/92/1075948292.db2.gz PIFODFVEPKXGTB-NQIIRXRSSA-N 1 3 364.493 2.783 20 0 FFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC001560395693 1076269782 /nfs/dbraw/zinc/26/97/82/1076269782.db2.gz XYJBYARLJDNUKK-VQTJNVASSA-N 1 3 370.497 2.553 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(-n3cccn3)cc2)C1 ZINC001560436671 1076273258 /nfs/dbraw/zinc/27/32/58/1076273258.db2.gz MOTOXVYWKIMRDZ-QFIPXVFZSA-N 1 3 362.477 2.729 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(-n3cccn3)cc2)C1 ZINC001560436671 1076273261 /nfs/dbraw/zinc/27/32/61/1076273261.db2.gz MOTOXVYWKIMRDZ-QFIPXVFZSA-N 1 3 362.477 2.729 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC001563410443 1076553043 /nfs/dbraw/zinc/55/30/43/1076553043.db2.gz UCIRRZSNIFNDCZ-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC001563410443 1076553046 /nfs/dbraw/zinc/55/30/46/1076553046.db2.gz UCIRRZSNIFNDCZ-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([N@H+](C)CC)C1)c1ccsc1 ZINC001563459324 1076556020 /nfs/dbraw/zinc/55/60/20/1076556020.db2.gz LJISNHGVTZFQCS-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([N@@H+](C)CC)C1)c1ccsc1 ZINC001563459324 1076556023 /nfs/dbraw/zinc/55/60/23/1076556023.db2.gz LJISNHGVTZFQCS-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO CC1(C)CCN(C(=O)NCCCN2CCc3ccccc3C2)CC(C)(C)[NH2+]1 ZINC001563469152 1076558672 /nfs/dbraw/zinc/55/86/72/1076558672.db2.gz FVMUHJGNTRPMCN-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001563513130 1076561925 /nfs/dbraw/zinc/56/19/25/1076561925.db2.gz OWFXYNYXXQBLIE-PWRODBHTSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001563513130 1076561930 /nfs/dbraw/zinc/56/19/30/1076561930.db2.gz OWFXYNYXXQBLIE-PWRODBHTSA-N 1 3 370.541 2.967 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)[NH+]3CCCCC3)C2)cc1 ZINC001563704987 1076576630 /nfs/dbraw/zinc/57/66/30/1076576630.db2.gz NJWXTAZWWFRIMY-QUCCMNQESA-N 1 3 358.530 2.743 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C2)cc1 ZINC001565020611 1076678180 /nfs/dbraw/zinc/67/81/80/1076678180.db2.gz VTHRQRAKPRBERS-HXUWFJFHSA-N 1 3 360.546 2.846 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCC[N@H+](C)CC(C)C)C2)cc1 ZINC001565020611 1076678182 /nfs/dbraw/zinc/67/81/82/1076678182.db2.gz VTHRQRAKPRBERS-HXUWFJFHSA-N 1 3 360.546 2.846 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1)CC(C)C ZINC001565377291 1076720265 /nfs/dbraw/zinc/72/02/65/1076720265.db2.gz OFEZBJITYVXIKJ-IEBWSBKVSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1)CC(C)C ZINC001565377291 1076720268 /nfs/dbraw/zinc/72/02/68/1076720268.db2.gz OFEZBJITYVXIKJ-IEBWSBKVSA-N 1 3 352.567 2.869 20 0 FFADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(Cl)s3)C2)CCC1 ZINC001565897864 1076787558 /nfs/dbraw/zinc/78/75/58/1076787558.db2.gz BERRIKKSLMKZGV-QWHCGFSZSA-N 1 3 370.950 2.655 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001565914972 1076799172 /nfs/dbraw/zinc/79/91/72/1076799172.db2.gz BAUGUHIRVMNUKH-FXAWDEMLSA-N 1 3 366.509 2.824 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOCc3ccccc3)[C@@H]2C)CC[N@@H+]1C ZINC001566090069 1076894171 /nfs/dbraw/zinc/89/41/71/1076894171.db2.gz ZIHXJWGACOACDV-BVOGOJNSSA-N 1 3 373.541 2.513 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOCc3ccccc3)[C@@H]2C)CC[N@H+]1C ZINC001566090069 1076894174 /nfs/dbraw/zinc/89/41/74/1076894174.db2.gz ZIHXJWGACOACDV-BVOGOJNSSA-N 1 3 373.541 2.513 20 0 FFADHO CC(C)C[C@@H](CNCC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568329404 1077087885 /nfs/dbraw/zinc/08/78/85/1077087885.db2.gz XMWDLOWMDNZXLR-HZSPNIEDSA-N 1 3 350.334 2.766 20 0 FFADHO CC(C)C[C@@H](CNCC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568329404 1077087890 /nfs/dbraw/zinc/08/78/90/1077087890.db2.gz XMWDLOWMDNZXLR-HZSPNIEDSA-N 1 3 350.334 2.766 20 0 FFADHO CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001590273115 1081134769 /nfs/dbraw/zinc/13/47/69/1081134769.db2.gz ZYMOWAYXBLDRKW-LJQANCHMSA-N 1 3 354.502 2.956 20 0 FFADHO CC1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001590273115 1081134770 /nfs/dbraw/zinc/13/47/70/1081134770.db2.gz ZYMOWAYXBLDRKW-LJQANCHMSA-N 1 3 354.502 2.956 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@@H]1C ZINC000372986098 512119898 /nfs/dbraw/zinc/11/98/98/512119898.db2.gz RZKZBZAOXGMEFR-QYZOEREBSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000105209251 250204302 /nfs/dbraw/zinc/20/43/02/250204302.db2.gz FQZFXPLBOOXRDN-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000117774920 250360998 /nfs/dbraw/zinc/36/09/98/250360998.db2.gz JTYBZHVGFYKCMY-QGZVFWFLSA-N 1 3 371.525 2.618 20 0 FFADHO CO[C@H](C)[C@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000268811819 251391278 /nfs/dbraw/zinc/39/12/78/251391278.db2.gz DLQBGCUZVSFWTL-DLBZAZTESA-N 1 3 350.503 2.689 20 0 FFADHO CO[C@H](C)[C@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268811819 251391282 /nfs/dbraw/zinc/39/12/82/251391282.db2.gz DLQBGCUZVSFWTL-DLBZAZTESA-N 1 3 350.503 2.689 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268804257 251387917 /nfs/dbraw/zinc/38/79/17/251387917.db2.gz IOSTUPWXTTYODS-UNMCSNQZSA-N 1 3 358.574 2.657 20 0 FFADHO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272407585 252031220 /nfs/dbraw/zinc/03/12/20/252031220.db2.gz FHARPDUDNRDIGJ-PXNSSMCTSA-N 1 3 367.493 2.551 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272475830 252047693 /nfs/dbraw/zinc/04/76/93/252047693.db2.gz QSTRKOKSCSFXIA-YLJYHZDGSA-N 1 3 358.530 2.762 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272475830 252047697 /nfs/dbraw/zinc/04/76/97/252047697.db2.gz QSTRKOKSCSFXIA-YLJYHZDGSA-N 1 3 358.530 2.762 20 0 FFADHO Cc1ccc(NC(=O)NCC2(C)CC[NH+](C)CC2)c(OCCN(C)C)c1 ZINC000272503835 252055364 /nfs/dbraw/zinc/05/53/64/252055364.db2.gz IVSWXTVHNVPHQR-UHFFFAOYSA-N 1 3 362.518 2.789 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C)CC1 ZINC000272696492 252104592 /nfs/dbraw/zinc/10/45/92/252104592.db2.gz XJAZUSBUZLNFOG-MZYLBHOOSA-N 1 3 372.601 2.759 20 0 FFADHO C[C@@H](CCNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000272889749 252157063 /nfs/dbraw/zinc/15/70/63/252157063.db2.gz ZBXGUNUWMPUKJH-ROUUACIJSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H](CCNC(=O)N[C@@H](C)C1=CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000272889749 252157066 /nfs/dbraw/zinc/15/70/66/252157066.db2.gz ZBXGUNUWMPUKJH-ROUUACIJSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000273484867 252314708 /nfs/dbraw/zinc/31/47/08/252314708.db2.gz ULNKWDNJJIZIIY-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO CS[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273517185 252322134 /nfs/dbraw/zinc/32/21/34/252322134.db2.gz OSNUGJYXDHQKNP-PMACEKPBSA-N 1 3 373.566 2.934 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274405690 255875709 /nfs/dbraw/zinc/87/57/09/255875709.db2.gz UDKAXXCVCMKKBG-IAGOWNOFSA-N 1 3 357.498 2.771 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)CC1 ZINC000276494802 256105255 /nfs/dbraw/zinc/10/52/55/256105255.db2.gz PAKCRTBEGLNMOM-FQEVSTJZSA-N 1 3 373.545 2.562 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000277378131 256191316 /nfs/dbraw/zinc/19/13/16/256191316.db2.gz COJCFYNUKGNACI-GOSISDBHSA-N 1 3 359.514 2.513 20 0 FFADHO COCCOc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278413021 256310153 /nfs/dbraw/zinc/31/01/53/256310153.db2.gz FOEBICDYSYCDAZ-MSOLQXFVSA-N 1 3 350.503 2.863 20 0 FFADHO COCCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278413021 256310155 /nfs/dbraw/zinc/31/01/55/256310155.db2.gz FOEBICDYSYCDAZ-MSOLQXFVSA-N 1 3 350.503 2.863 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000287959136 257133128 /nfs/dbraw/zinc/13/31/28/257133128.db2.gz HXTWUOSXJXPRHJ-UBDVDIHFSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000287959136 257133129 /nfs/dbraw/zinc/13/31/29/257133129.db2.gz HXTWUOSXJXPRHJ-UBDVDIHFSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000287972569 257135007 /nfs/dbraw/zinc/13/50/07/257135007.db2.gz JENSMUQZGBYJCS-ZZPLLCAGSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000287972569 257135008 /nfs/dbraw/zinc/13/50/08/257135008.db2.gz JENSMUQZGBYJCS-ZZPLLCAGSA-N 1 3 370.541 2.916 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000288152618 257152837 /nfs/dbraw/zinc/15/28/37/257152837.db2.gz VRKHVKKABTWRNR-XVLXNVKGSA-N 1 3 362.493 2.743 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000288152618 257152838 /nfs/dbraw/zinc/15/28/38/257152838.db2.gz VRKHVKKABTWRNR-XVLXNVKGSA-N 1 3 362.493 2.743 20 0 FFADHO CCOCc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1OC ZINC000289391854 257278685 /nfs/dbraw/zinc/27/86/85/257278685.db2.gz FARMTVQJTFFSNC-UHFFFAOYSA-N 1 3 363.546 2.690 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333257272 258258619 /nfs/dbraw/zinc/25/86/19/258258619.db2.gz FNTGCQUVJOBGSB-RBUKOAKNSA-N 1 3 360.498 2.705 20 0 FFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433499833 514505230 /nfs/dbraw/zinc/50/52/30/514505230.db2.gz UIPCFJRLYLANML-WFASDCNBSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433499833 514505235 /nfs/dbraw/zinc/50/52/35/514505235.db2.gz UIPCFJRLYLANML-WFASDCNBSA-N 1 3 354.292 2.979 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375256063 512234884 /nfs/dbraw/zinc/23/48/84/512234884.db2.gz MEWGKVMVJWAJEH-UHFFFAOYSA-N 1 3 355.526 2.891 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066185518 506440469 /nfs/dbraw/zinc/44/04/69/506440469.db2.gz PLCZDCWBDKCJJW-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000054510986 506570974 /nfs/dbraw/zinc/57/09/74/506570974.db2.gz GVKHAHLNNOBXIW-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000054510986 506570979 /nfs/dbraw/zinc/57/09/79/506570979.db2.gz GVKHAHLNNOBXIW-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC000066994501 506718587 /nfs/dbraw/zinc/71/85/87/506718587.db2.gz RNBSFFISGAABEF-UHFFFAOYSA-N 1 3 365.477 2.544 20 0 FFADHO NC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)Cc2ccccc2C1 ZINC000371264052 512296252 /nfs/dbraw/zinc/29/62/52/512296252.db2.gz HOBNSLCQHLFOJI-GOSISDBHSA-N 1 3 355.526 2.597 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(OC)c1OC ZINC000067453000 506886494 /nfs/dbraw/zinc/88/64/94/506886494.db2.gz GKINSBNWWILVSW-IYBDPMFKSA-N 1 3 366.502 2.691 20 0 FFADHO CC1CCN(CCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067773247 507004126 /nfs/dbraw/zinc/00/41/26/507004126.db2.gz DMHZCUUOXXHIGY-UHFFFAOYSA-N 1 3 372.557 2.930 20 0 FFADHO O=C(NCCN1CCCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067772473 507004856 /nfs/dbraw/zinc/00/48/56/507004856.db2.gz RJFBEHFPBSAWLT-UHFFFAOYSA-N 1 3 358.530 2.684 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371336680 512338938 /nfs/dbraw/zinc/33/89/38/512338938.db2.gz QIMOMOUWFQBYQF-CRAIPNDOSA-N 1 3 353.457 2.746 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371336680 512338942 /nfs/dbraw/zinc/33/89/42/512338942.db2.gz QIMOMOUWFQBYQF-CRAIPNDOSA-N 1 3 353.457 2.746 20 0 FFADHO CCN(CC)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000058879904 507475763 /nfs/dbraw/zinc/47/57/63/507475763.db2.gz FNWJFTWUCOFKRU-UHFFFAOYSA-N 1 3 370.335 2.681 20 0 FFADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000069780935 507557604 /nfs/dbraw/zinc/55/76/04/507557604.db2.gz JSZOBAFRVHMTSA-HDICACEKSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000069780935 507557608 /nfs/dbraw/zinc/55/76/08/507557608.db2.gz JSZOBAFRVHMTSA-HDICACEKSA-N 1 3 352.567 2.869 20 0 FFADHO COc1ccccc1C(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797482 507713063 /nfs/dbraw/zinc/71/30/63/507713063.db2.gz VNQDJRRBMSBIPU-UHFFFAOYSA-N 1 3 373.541 2.648 20 0 FFADHO Cc1ccsc1CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759466 507783240 /nfs/dbraw/zinc/78/32/40/507783240.db2.gz MBBWDWHOYYRCDZ-UHFFFAOYSA-N 1 3 364.559 2.757 20 0 FFADHO CCN(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758440 507783287 /nfs/dbraw/zinc/78/32/87/507783287.db2.gz ZKXQLGPNRMEQPA-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000051761126 507783645 /nfs/dbraw/zinc/78/36/45/507783645.db2.gz ZAGGOAPRBHBVOJ-LJQANCHMSA-N 1 3 370.541 2.744 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000052523503 507812224 /nfs/dbraw/zinc/81/22/24/507812224.db2.gz CYRBXQZYYPUWFZ-FXAWDEMLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000052523503 507812226 /nfs/dbraw/zinc/81/22/26/507812226.db2.gz CYRBXQZYYPUWFZ-FXAWDEMLSA-N 1 3 358.530 2.812 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 ZINC000072909254 507872523 /nfs/dbraw/zinc/87/25/23/507872523.db2.gz JUXREBIBNJRWEG-IBGZPJMESA-N 1 3 365.562 2.648 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@H+](C)C3)c(C)c2)CC1 ZINC000108433433 507894649 /nfs/dbraw/zinc/89/46/49/507894649.db2.gz ACDNNVQTXZAGPR-SFHVURJKSA-N 1 3 373.545 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](C)C3)c(C)c2)CC1 ZINC000108433433 507894653 /nfs/dbraw/zinc/89/46/53/507894653.db2.gz ACDNNVQTXZAGPR-SFHVURJKSA-N 1 3 373.545 2.600 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000108541433 507902544 /nfs/dbraw/zinc/90/25/44/507902544.db2.gz DVFTWHPSVPIVTO-CVEARBPZSA-N 1 3 350.532 2.526 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000108541433 507902546 /nfs/dbraw/zinc/90/25/46/507902546.db2.gz DVFTWHPSVPIVTO-CVEARBPZSA-N 1 3 350.532 2.526 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000108567990 507905702 /nfs/dbraw/zinc/90/57/02/507905702.db2.gz SRXVAKFVWKMMSB-ICSRJNTNSA-N 1 3 358.530 2.773 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000108567990 507905706 /nfs/dbraw/zinc/90/57/06/507905706.db2.gz SRXVAKFVWKMMSB-ICSRJNTNSA-N 1 3 358.530 2.773 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[NH+]1CCCC1 ZINC000073594727 507935673 /nfs/dbraw/zinc/93/56/73/507935673.db2.gz PQTANDCIISMWGW-CEXWTWQISA-N 1 3 350.551 2.765 20 0 FFADHO CN(C)CCOc1cc(CNC2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000090937282 507940167 /nfs/dbraw/zinc/94/01/67/507940167.db2.gz WSDHZGMZLWXAAQ-UHFFFAOYSA-N 1 3 360.546 2.909 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000073934426 507968794 /nfs/dbraw/zinc/96/87/94/507968794.db2.gz UBDAPGACRFBFNO-IRXDYDNUSA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000073934426 507968799 /nfs/dbraw/zinc/96/87/99/507968799.db2.gz UBDAPGACRFBFNO-IRXDYDNUSA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1coc2ccccc12 ZINC000074263462 508002917 /nfs/dbraw/zinc/00/29/17/508002917.db2.gz IPXKCVCFYSPBBW-GOSISDBHSA-N 1 3 372.513 2.990 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1coc2ccccc12 ZINC000074263462 508002920 /nfs/dbraw/zinc/00/29/20/508002920.db2.gz IPXKCVCFYSPBBW-GOSISDBHSA-N 1 3 372.513 2.990 20 0 FFADHO C[C@@H](C(=O)NCC1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000110680650 508040841 /nfs/dbraw/zinc/04/08/41/508040841.db2.gz OKXIKPCXHQSPTN-SFHVURJKSA-N 1 3 357.542 2.788 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1 ZINC000074710644 508049388 /nfs/dbraw/zinc/04/93/88/508049388.db2.gz PSHRDVYOIMHWQV-UHFFFAOYSA-N 1 3 360.546 2.943 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000092456308 508071887 /nfs/dbraw/zinc/07/18/87/508071887.db2.gz HAGNJSZYQDDVRM-LJQANCHMSA-N 1 3 359.514 2.604 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000092456308 508071891 /nfs/dbraw/zinc/07/18/91/508071891.db2.gz HAGNJSZYQDDVRM-LJQANCHMSA-N 1 3 359.514 2.604 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000080458087 508074929 /nfs/dbraw/zinc/07/49/29/508074929.db2.gz ANRXADNRPVSLTP-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(CC)C(=O)[C@H]1CCCN1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000092510543 508076262 /nfs/dbraw/zinc/07/62/62/508076262.db2.gz BFMOSGNHXSSOFA-OAQYLSRUSA-N 1 3 372.557 2.661 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000083027326 508232591 /nfs/dbraw/zinc/23/25/91/508232591.db2.gz CGKFTUDSEWXIAO-KDURUIRLSA-N 1 3 373.541 2.902 20 0 FFADHO CCOc1cccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000076894060 508260468 /nfs/dbraw/zinc/26/04/68/508260468.db2.gz SJQWLAGFRNDFGP-UHFFFAOYSA-N 1 3 355.482 2.667 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000102012429 508264737 /nfs/dbraw/zinc/26/47/37/508264737.db2.gz XAXMQTXXTWONLT-MRXNPFEDSA-N 1 3 352.548 2.600 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000102012429 508264742 /nfs/dbraw/zinc/26/47/42/508264742.db2.gz XAXMQTXXTWONLT-MRXNPFEDSA-N 1 3 352.548 2.600 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(COC)c1 ZINC000077201573 508286425 /nfs/dbraw/zinc/28/64/25/508286425.db2.gz IQPWINBLRDFILN-IBGZPJMESA-N 1 3 362.518 2.713 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(COC)c1 ZINC000077201573 508286427 /nfs/dbraw/zinc/28/64/27/508286427.db2.gz IQPWINBLRDFILN-IBGZPJMESA-N 1 3 362.518 2.713 20 0 FFADHO Cc1c2cccc(Cl)c2oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212001 508301864 /nfs/dbraw/zinc/30/18/64/508301864.db2.gz CNVBVZFEZXKXLG-UHFFFAOYSA-N 1 3 351.878 2.960 20 0 FFADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000085391994 508305759 /nfs/dbraw/zinc/30/57/59/508305759.db2.gz PGFZYBMDIJPINX-PXNSSMCTSA-N 1 3 372.557 2.805 20 0 FFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000085391994 508305761 /nfs/dbraw/zinc/30/57/61/508305761.db2.gz PGFZYBMDIJPINX-PXNSSMCTSA-N 1 3 372.557 2.805 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000105082638 508359378 /nfs/dbraw/zinc/35/93/78/508359378.db2.gz IHXQIVXYXAQAOJ-NHCUHLMSSA-N 1 3 372.557 2.819 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000105207711 508365962 /nfs/dbraw/zinc/36/59/62/508365962.db2.gz RKPZPRZFCGUWMM-FQEVSTJZSA-N 1 3 358.530 2.773 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000105276076 508367647 /nfs/dbraw/zinc/36/76/47/508367647.db2.gz ITTAOODYFJZGNX-FQEVSTJZSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000105276076 508367649 /nfs/dbraw/zinc/36/76/49/508367649.db2.gz ITTAOODYFJZGNX-FQEVSTJZSA-N 1 3 360.546 2.880 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000115797239 508439255 /nfs/dbraw/zinc/43/92/55/508439255.db2.gz DTMLFHARAGLWMC-NQIIRXRSSA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000115797239 508439258 /nfs/dbraw/zinc/43/92/58/508439258.db2.gz DTMLFHARAGLWMC-NQIIRXRSSA-N 1 3 372.557 2.807 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152443626 508447583 /nfs/dbraw/zinc/44/75/83/508447583.db2.gz OWLVTLVQHHSDTL-CABCVRRESA-N 1 3 351.516 2.583 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152443626 508447586 /nfs/dbraw/zinc/44/75/86/508447586.db2.gz OWLVTLVQHHSDTL-CABCVRRESA-N 1 3 351.516 2.583 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000133877164 508462617 /nfs/dbraw/zinc/46/26/17/508462617.db2.gz IAMBJFTUKROKKD-KRWDZBQOSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000134025116 508482788 /nfs/dbraw/zinc/48/27/88/508482788.db2.gz PXVUYIFFIAHWCK-TXPKVOOTSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000134025116 508482793 /nfs/dbraw/zinc/48/27/93/508482793.db2.gz PXVUYIFFIAHWCK-TXPKVOOTSA-N 1 3 371.529 2.531 20 0 FFADHO Cc1ncc(CN2CCC(C[NH+]3CCOCC3)CC2)n1-c1ccccc1 ZINC000134102167 508492728 /nfs/dbraw/zinc/49/27/28/508492728.db2.gz QTYGOYDVOXFJOL-UHFFFAOYSA-N 1 3 354.498 2.725 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000157787217 508611512 /nfs/dbraw/zinc/61/15/12/508611512.db2.gz PZEQIEMJGNFTFH-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000157787217 508611515 /nfs/dbraw/zinc/61/15/15/508611515.db2.gz PZEQIEMJGNFTFH-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CN(CCN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCO1 ZINC000367254017 512408916 /nfs/dbraw/zinc/40/89/16/512408916.db2.gz VFZWUPLEWGQNHT-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CN(CCN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000367254017 512408919 /nfs/dbraw/zinc/40/89/19/512408919.db2.gz VFZWUPLEWGQNHT-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCO1 ZINC000367254017 512408921 /nfs/dbraw/zinc/40/89/21/512408921.db2.gz VFZWUPLEWGQNHT-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCO1 ZINC000367254017 512408923 /nfs/dbraw/zinc/40/89/23/512408923.db2.gz VFZWUPLEWGQNHT-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000158205068 508671080 /nfs/dbraw/zinc/67/10/80/508671080.db2.gz WAICGJOOHKEOJR-KRWDZBQOSA-N 1 3 367.559 2.757 20 0 FFADHO CC1(C)CC(NC(=O)N2CCN(C3CCCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000136215096 508680260 /nfs/dbraw/zinc/68/02/60/508680260.db2.gz JEMFMPBJVDUOMO-UHFFFAOYSA-N 1 3 350.551 2.956 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000119125212 508730969 /nfs/dbraw/zinc/73/09/69/508730969.db2.gz GNULIXUSXBTVND-APWZRJJASA-N 1 3 358.530 2.953 20 0 FFADHO [NH3+]CCCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 ZINC000137491907 508758114 /nfs/dbraw/zinc/75/81/14/508758114.db2.gz BFLKGVPHXJWGTA-UHFFFAOYSA-N 1 3 365.477 2.914 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000137849902 508765737 /nfs/dbraw/zinc/76/57/37/508765737.db2.gz IINUXEWWSZHEAC-JRGCBEDISA-N 1 3 373.541 2.559 20 0 FFADHO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c(OCCN(C)C)c1 ZINC000124486545 508839580 /nfs/dbraw/zinc/83/95/80/508839580.db2.gz FOJRMIMWVIMUFB-KRWDZBQOSA-N 1 3 362.518 2.789 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000154712999 508839921 /nfs/dbraw/zinc/83/99/21/508839921.db2.gz PIZFGMQVTOIHBI-IBGZPJMESA-N 1 3 364.509 2.802 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000119694130 508845218 /nfs/dbraw/zinc/84/52/18/508845218.db2.gz ZKQXRWLKPFKMCJ-AZUAARDMSA-N 1 3 360.546 2.875 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000119694130 508845223 /nfs/dbraw/zinc/84/52/23/508845223.db2.gz ZKQXRWLKPFKMCJ-AZUAARDMSA-N 1 3 360.546 2.875 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000150956614 508930342 /nfs/dbraw/zinc/93/03/42/508930342.db2.gz GMMYHLQFGMTRGZ-OAHLLOKOSA-N 1 3 358.530 2.593 20 0 FFADHO CNC(=O)c1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000151023322 508941872 /nfs/dbraw/zinc/94/18/72/508941872.db2.gz MTZCKKSZPFQBPU-INIZCTEOSA-N 1 3 355.482 2.837 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000125769159 509027335 /nfs/dbraw/zinc/02/73/35/509027335.db2.gz WIRVYOALTYUCQC-GOEBONIOSA-N 1 3 359.436 2.914 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000155705359 509055814 /nfs/dbraw/zinc/05/58/14/509055814.db2.gz VJCZZQLWUKXBFA-OALUTQOASA-N 1 3 355.530 2.608 20 0 FFADHO CC[N@H+](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000132775268 509073688 /nfs/dbraw/zinc/07/36/88/509073688.db2.gz FUZUIOSTUTXGDZ-KRWDZBQOSA-N 1 3 361.534 2.637 20 0 FFADHO CC[N@@H+](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000132775268 509073692 /nfs/dbraw/zinc/07/36/92/509073692.db2.gz FUZUIOSTUTXGDZ-KRWDZBQOSA-N 1 3 361.534 2.637 20 0 FFADHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132825590 509079501 /nfs/dbraw/zinc/07/95/01/509079501.db2.gz ZHNBTVNATZPCFM-FQEVSTJZSA-N 1 3 354.498 2.544 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCc3sccc3C2)[C@H](C)C1 ZINC000132853181 509082580 /nfs/dbraw/zinc/08/25/80/509082580.db2.gz JRVCVHJPWYFRQR-IEBWSBKVSA-N 1 3 365.587 2.833 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCc3sccc3C2)[C@H](C)C1 ZINC000132853181 509082583 /nfs/dbraw/zinc/08/25/83/509082583.db2.gz JRVCVHJPWYFRQR-IEBWSBKVSA-N 1 3 365.587 2.833 20 0 FFADHO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000132859946 509083978 /nfs/dbraw/zinc/08/39/78/509083978.db2.gz NCWPNAGJSZIXRP-UHFFFAOYSA-N 1 3 369.557 2.900 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000133023499 509105599 /nfs/dbraw/zinc/10/55/99/509105599.db2.gz QGNWELJLOPISKA-JRLRZGBRSA-N 1 3 350.528 2.576 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000133110452 509117701 /nfs/dbraw/zinc/11/77/01/509117701.db2.gz MTILJCCVAMCUGC-ZWKOTPCHSA-N 1 3 371.525 2.965 20 0 FFADHO CCN1CC[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000156267794 509152482 /nfs/dbraw/zinc/15/24/82/509152482.db2.gz OJCMETVORJGNCP-WIYYLYMNSA-N 1 3 357.542 2.788 20 0 FFADHO CC[C@@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000182377970 509203473 /nfs/dbraw/zinc/20/34/73/509203473.db2.gz KYAJSGDAJPLHHD-NHCUHLMSSA-N 1 3 373.541 2.623 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401261 509219366 /nfs/dbraw/zinc/21/93/66/509219366.db2.gz ZWNYNTWVHRBZRN-FGTMMUONSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401261 509219370 /nfs/dbraw/zinc/21/93/70/509219370.db2.gz ZWNYNTWVHRBZRN-FGTMMUONSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266852864 509226740 /nfs/dbraw/zinc/22/67/40/509226740.db2.gz JHIJGYRCNSFOEK-OAHLLOKOSA-N 1 3 365.543 2.604 20 0 FFADHO C[C@H]1CCCN(Cc2ccccc2C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000182448498 509242286 /nfs/dbraw/zinc/24/22/86/509242286.db2.gz NHJFHKKOLISWGB-QFBILLFUSA-N 1 3 350.528 2.585 20 0 FFADHO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1n[nH]c2c1CNCC2 ZINC000188747628 509242813 /nfs/dbraw/zinc/24/28/13/509242813.db2.gz QEORFJKMXOUFAN-UHFFFAOYSA-N 1 3 353.470 2.684 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)N(C)C)cc1 ZINC000182497975 509271040 /nfs/dbraw/zinc/27/10/40/509271040.db2.gz MGOCYENBOSIKEQ-UFYCRDLUSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)N(C)C)cc1 ZINC000182497975 509271051 /nfs/dbraw/zinc/27/10/51/509271051.db2.gz MGOCYENBOSIKEQ-UFYCRDLUSA-N 1 3 358.530 2.723 20 0 FFADHO C[C@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000176012707 509273750 /nfs/dbraw/zinc/27/37/50/509273750.db2.gz GWSWBKXSPSWYAK-SFHVURJKSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248398411 509294571 /nfs/dbraw/zinc/29/45/71/509294571.db2.gz IXKTYBVWEKMRAE-BZSNNMDCSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398411 509294577 /nfs/dbraw/zinc/29/45/77/509294577.db2.gz IXKTYBVWEKMRAE-BZSNNMDCSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248603237 509385076 /nfs/dbraw/zinc/38/50/76/509385076.db2.gz VRACUBCARYHZJX-TXPKVOOTSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248603237 509385083 /nfs/dbraw/zinc/38/50/83/509385083.db2.gz VRACUBCARYHZJX-TXPKVOOTSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248603237 509385088 /nfs/dbraw/zinc/38/50/88/509385088.db2.gz VRACUBCARYHZJX-TXPKVOOTSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248634207 509403430 /nfs/dbraw/zinc/40/34/30/509403430.db2.gz JMXWWWFLJHSQIS-JMJGKCIBSA-N 1 3 370.585 2.513 20 0 FFADHO CC[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000163934643 509441908 /nfs/dbraw/zinc/44/19/08/509441908.db2.gz CRXLGRBQJHCHEJ-YADHBBJMSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCN1C ZINC000163927462 509442683 /nfs/dbraw/zinc/44/26/83/509442683.db2.gz KTOYYSLYSPOEOH-IFMALSPDSA-N 1 3 358.574 2.657 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000189171398 509449064 /nfs/dbraw/zinc/44/90/64/509449064.db2.gz DEFGCLOVOUEOBA-QGZVFWFLSA-N 1 3 366.575 2.943 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[N@H+](C)C3CC3)c(C)c2)CC1 ZINC000185982444 509463455 /nfs/dbraw/zinc/46/34/55/509463455.db2.gz VANJANIKLRPMHZ-UHFFFAOYSA-N 1 3 373.545 2.695 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC3)c(C)c2)CC1 ZINC000185982444 509463461 /nfs/dbraw/zinc/46/34/61/509463461.db2.gz VANJANIKLRPMHZ-UHFFFAOYSA-N 1 3 373.545 2.695 20 0 FFADHO CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000173263824 509487319 /nfs/dbraw/zinc/48/73/19/509487319.db2.gz NYQXCELRTBGADM-WBVHZDCISA-N 1 3 352.548 2.772 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000248807815 509491653 /nfs/dbraw/zinc/49/16/53/509491653.db2.gz KGRUXTPSBMXAGR-HMXCVIKNSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCC[C@H](CNC(=O)CCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085501 509568878 /nfs/dbraw/zinc/56/88/78/509568878.db2.gz KKHQIHFFWWTSJA-PBHICJAKSA-N 1 3 357.420 2.943 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176583088 509595949 /nfs/dbraw/zinc/59/59/49/509595949.db2.gz PEIBLJHPEMFOTB-QZTJIDSGSA-N 1 3 364.509 2.772 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000237233450 509599918 /nfs/dbraw/zinc/59/99/18/509599918.db2.gz QLGXRKFZGQVWNN-SFTDATJTSA-N 1 3 351.494 2.537 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000237233450 509599924 /nfs/dbraw/zinc/59/99/24/509599924.db2.gz QLGXRKFZGQVWNN-SFTDATJTSA-N 1 3 351.494 2.537 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000237252457 509605506 /nfs/dbraw/zinc/60/55/06/509605506.db2.gz YQQXPELONBQPGU-UHFFFAOYSA-N 1 3 352.482 2.557 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000176606536 509607355 /nfs/dbraw/zinc/60/73/55/509607355.db2.gz TWHRPYQNIYGPCV-IRXDYDNUSA-N 1 3 350.507 2.534 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(OCCN(C)C)cc1 ZINC000166459869 509608617 /nfs/dbraw/zinc/60/86/17/509608617.db2.gz RJLKCGYIWDZUOA-IEBWSBKVSA-N 1 3 371.529 2.680 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237327492 509622611 /nfs/dbraw/zinc/62/26/11/509622611.db2.gz UPLYPAWQZJWUPL-RTWAWAEBSA-N 1 3 367.493 2.691 20 0 FFADHO COc1ccc([C@H](CNC(=O)CCC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000237324301 509623447 /nfs/dbraw/zinc/62/34/47/509623447.db2.gz GATQEMMETDIWGY-FQEVSTJZSA-N 1 3 359.514 2.728 20 0 FFADHO CC(C)[NH+]1CCN(CCCN[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000192803730 509652508 /nfs/dbraw/zinc/65/25/08/509652508.db2.gz NWPCMRSXQGUQNC-NRFANRHFSA-N 1 3 373.520 2.654 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000264744768 509677651 /nfs/dbraw/zinc/67/76/51/509677651.db2.gz KNTBVAIIRNUHSM-UHFFFAOYSA-N 1 3 374.573 2.628 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000264744768 509677659 /nfs/dbraw/zinc/67/76/59/509677659.db2.gz KNTBVAIIRNUHSM-UHFFFAOYSA-N 1 3 374.573 2.628 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000249431728 509678691 /nfs/dbraw/zinc/67/86/91/509678691.db2.gz JWAGGYGUPXWFOO-LNLFQRSKSA-N 1 3 353.551 2.550 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000249499880 509694707 /nfs/dbraw/zinc/69/47/07/509694707.db2.gz WXNPFRSPJMDPJC-QFBILLFUSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000249499880 509694713 /nfs/dbraw/zinc/69/47/13/509694713.db2.gz WXNPFRSPJMDPJC-QFBILLFUSA-N 1 3 365.493 2.881 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000193046821 509752787 /nfs/dbraw/zinc/75/27/87/509752787.db2.gz DXHUUQBAEPQJMN-UHFFFAOYSA-N 1 3 360.546 2.725 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000193069242 509763703 /nfs/dbraw/zinc/76/37/03/509763703.db2.gz WDVWHMVIQJPWGF-FQEVSTJZSA-N 1 3 358.530 2.807 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)cc1 ZINC000186575753 509780339 /nfs/dbraw/zinc/78/03/39/509780339.db2.gz KBLSFPKJNZRKNF-MSOLQXFVSA-N 1 3 355.530 2.857 20 0 FFADHO CC(=O)N1CCC([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000176983990 509799692 /nfs/dbraw/zinc/79/96/92/509799692.db2.gz FUFHJCOTJXDYKQ-UHFFFAOYSA-N 1 3 373.541 2.658 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000252801500 509859908 /nfs/dbraw/zinc/85/99/08/509859908.db2.gz TYHVVRAPEISMEI-FYQPLNBISA-N 1 3 356.514 2.700 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000173935996 509862991 /nfs/dbraw/zinc/86/29/91/509862991.db2.gz PXJCEIINPNKTPT-UHFFFAOYSA-N 1 3 372.517 2.608 20 0 FFADHO COc1ccc(OC(F)F)c(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268408322 509911223 /nfs/dbraw/zinc/91/12/23/509911223.db2.gz GVIZJAIOGQFMRB-UHFFFAOYSA-N 1 3 358.429 2.622 20 0 FFADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177205337 509935390 /nfs/dbraw/zinc/93/53/90/509935390.db2.gz ZMRCKQAPYFDYAS-MRXNPFEDSA-N 1 3 367.559 2.708 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000174209984 510003922 /nfs/dbraw/zinc/00/39/22/510003922.db2.gz KUAXXTSXWSBNTP-UYAOXDASSA-N 1 3 358.530 2.725 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000183853038 510006089 /nfs/dbraw/zinc/00/60/89/510006089.db2.gz UNUDDFSYIGUNGA-INIZCTEOSA-N 1 3 362.514 2.853 20 0 FFADHO CCCc1csc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000180658857 510040318 /nfs/dbraw/zinc/04/03/18/510040318.db2.gz QWHJRIVDLLDRBX-INIZCTEOSA-N 1 3 367.563 2.975 20 0 FFADHO CCCc1csc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000180658857 510040321 /nfs/dbraw/zinc/04/03/21/510040321.db2.gz QWHJRIVDLLDRBX-INIZCTEOSA-N 1 3 367.563 2.975 20 0 FFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261750504 510050148 /nfs/dbraw/zinc/05/01/48/510050148.db2.gz DTHLDFWVHOLKAZ-FQEVSTJZSA-N 1 3 361.530 2.679 20 0 FFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261750504 510050151 /nfs/dbraw/zinc/05/01/51/510050151.db2.gz DTHLDFWVHOLKAZ-FQEVSTJZSA-N 1 3 361.530 2.679 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261800297 510068517 /nfs/dbraw/zinc/06/85/17/510068517.db2.gz VUFKDGRLDBSEGJ-OIISXLGYSA-N 1 3 369.431 2.957 20 0 FFADHO COc1cccc(NC(=O)CCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261881903 510099148 /nfs/dbraw/zinc/09/91/48/510099148.db2.gz YRLWGDBZJWPIEH-XLIONFOSSA-N 1 3 353.466 2.698 20 0 FFADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2c(c1)COC2 ZINC000268856497 510103799 /nfs/dbraw/zinc/10/37/99/510103799.db2.gz QMDCESDRJKGZNK-INIZCTEOSA-N 1 3 367.493 2.859 20 0 FFADHO CCC(CC)(CNC(=O)[C@@H](N)C1CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC000261893993 510104052 /nfs/dbraw/zinc/10/40/52/510104052.db2.gz VVFPKROWLLACLE-APWZRJJASA-N 1 3 361.530 2.766 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268858291 510104216 /nfs/dbraw/zinc/10/42/16/510104216.db2.gz IXEDUEMWYGIUKV-FUPPJEDESA-N 1 3 372.601 2.903 20 0 FFADHO C[C@@H]1C[C@H](NCCC(=O)NCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268859517 510105280 /nfs/dbraw/zinc/10/52/80/510105280.db2.gz VEZQTANOQOXKOU-WIYYLYMNSA-N 1 3 366.509 2.731 20 0 FFADHO C[C@@H]1C[C@H](NCCC(=O)NCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268859517 510105288 /nfs/dbraw/zinc/10/52/88/510105288.db2.gz VEZQTANOQOXKOU-WIYYLYMNSA-N 1 3 366.509 2.731 20 0 FFADHO COc1c(Br)cccc1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000187229250 510137968 /nfs/dbraw/zinc/13/79/68/510137968.db2.gz WBLNUCROAXZGDA-HNNXBMFYSA-N 1 3 371.319 2.784 20 0 FFADHO COc1c(Br)cccc1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000187229250 510137972 /nfs/dbraw/zinc/13/79/72/510137972.db2.gz WBLNUCROAXZGDA-HNNXBMFYSA-N 1 3 371.319 2.784 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000245878151 510183539 /nfs/dbraw/zinc/18/35/39/510183539.db2.gz AUSDYIWNGANKCP-PCCBWWKXSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000245878151 510183541 /nfs/dbraw/zinc/18/35/41/510183541.db2.gz AUSDYIWNGANKCP-PCCBWWKXSA-N 1 3 370.541 2.949 20 0 FFADHO Cc1ccc(NC(=O)N2CCCN(C(C)C)CC2)c(OCC[NH+](C)C)c1 ZINC000265717915 510192994 /nfs/dbraw/zinc/19/29/94/510192994.db2.gz NQPDFQFPOWPHRD-UHFFFAOYSA-N 1 3 362.518 2.883 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000245928817 510214360 /nfs/dbraw/zinc/21/43/60/510214360.db2.gz HYZJGTLVLMUHAG-CEXWTWQISA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000245928817 510214370 /nfs/dbraw/zinc/21/43/70/510214370.db2.gz HYZJGTLVLMUHAG-CEXWTWQISA-N 1 3 350.551 2.767 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1 ZINC000262254610 510223074 /nfs/dbraw/zinc/22/30/74/510223074.db2.gz FBXLWLFEDMFAAT-ZWKOTPCHSA-N 1 3 356.514 2.675 20 0 FFADHO CC1(C)OCc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)ccc2O1 ZINC000187403537 510245840 /nfs/dbraw/zinc/24/58/40/510245840.db2.gz GNQRUXSGQYXUAL-KRWDZBQOSA-N 1 3 360.498 2.922 20 0 FFADHO [NH3+]CC1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000269182073 510277476 /nfs/dbraw/zinc/27/74/76/510277476.db2.gz HVAATPBWZRNWPI-GOSISDBHSA-N 1 3 369.431 2.638 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000269275717 510319374 /nfs/dbraw/zinc/31/93/74/510319374.db2.gz WGTWPDIIHYNTST-UTKZUKDTSA-N 1 3 369.509 2.622 20 0 FFADHO C[N@H+](CCOc1cccc(CNC[C@@H]2CCC=CO2)c1)C1CCOCC1 ZINC000194362089 510326912 /nfs/dbraw/zinc/32/69/12/510326912.db2.gz GDQMXPMHHWPXGG-NRFANRHFSA-N 1 3 360.498 2.959 20 0 FFADHO C[N@@H+](CCOc1cccc(CNC[C@@H]2CCC=CO2)c1)C1CCOCC1 ZINC000194362089 510326919 /nfs/dbraw/zinc/32/69/19/510326919.db2.gz GDQMXPMHHWPXGG-NRFANRHFSA-N 1 3 360.498 2.959 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194420890 510354448 /nfs/dbraw/zinc/35/44/48/510354448.db2.gz MWVITYAJZJMHNC-HBMCJLEFSA-N 1 3 370.541 2.777 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194420890 510354456 /nfs/dbraw/zinc/35/44/56/510354456.db2.gz MWVITYAJZJMHNC-HBMCJLEFSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000178041287 510395093 /nfs/dbraw/zinc/39/50/93/510395093.db2.gz QOKOZDMVCIKHKO-ULQDDVLXSA-N 1 3 368.543 2.630 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000246352425 510442716 /nfs/dbraw/zinc/44/27/16/510442716.db2.gz PGFZYBMDIJPINX-YLJYHZDGSA-N 1 3 372.557 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000246352425 510442724 /nfs/dbraw/zinc/44/27/24/510442724.db2.gz PGFZYBMDIJPINX-YLJYHZDGSA-N 1 3 372.557 2.805 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000246360975 510446797 /nfs/dbraw/zinc/44/67/97/510446797.db2.gz FGTVPWMRVCPJIH-FXAWDEMLSA-N 1 3 373.545 2.560 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000246360975 510446804 /nfs/dbraw/zinc/44/68/04/510446804.db2.gz FGTVPWMRVCPJIH-FXAWDEMLSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246403599 510469413 /nfs/dbraw/zinc/46/94/13/510469413.db2.gz DKRNVTGBYSHTHW-HLAWJBBLSA-N 1 3 368.525 2.695 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000246403599 510469419 /nfs/dbraw/zinc/46/94/19/510469419.db2.gz DKRNVTGBYSHTHW-HLAWJBBLSA-N 1 3 368.525 2.695 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000269599054 510477296 /nfs/dbraw/zinc/47/72/96/510477296.db2.gz HJCYQGOGNKPHSY-KRWDZBQOSA-N 1 3 373.545 2.781 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246472535 510508594 /nfs/dbraw/zinc/50/85/94/510508594.db2.gz GBPYSIRRGBHDQC-DWLFOUALSA-N 1 3 358.526 2.992 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246472535 510508599 /nfs/dbraw/zinc/50/85/99/510508599.db2.gz GBPYSIRRGBHDQC-DWLFOUALSA-N 1 3 358.526 2.992 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194834687 510550506 /nfs/dbraw/zinc/55/05/06/510550506.db2.gz GKXITLGHZZWBGA-CQSZACIVSA-N 1 3 358.511 2.600 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000246586778 510571740 /nfs/dbraw/zinc/57/17/40/510571740.db2.gz ZYSASEFYLKASOK-HBFSDRIKSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000246586778 510571746 /nfs/dbraw/zinc/57/17/46/510571746.db2.gz ZYSASEFYLKASOK-HBFSDRIKSA-N 1 3 360.546 2.879 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000175309094 510582284 /nfs/dbraw/zinc/58/22/84/510582284.db2.gz ROJSPJKDLODOJR-OALUTQOASA-N 1 3 361.534 2.590 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000175309094 510582286 /nfs/dbraw/zinc/58/22/86/510582286.db2.gz ROJSPJKDLODOJR-OALUTQOASA-N 1 3 361.534 2.590 20 0 FFADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194976599 510617543 /nfs/dbraw/zinc/61/75/43/510617543.db2.gz QONYXDJYFSXYHL-HNNXBMFYSA-N 1 3 367.559 2.850 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1 ZINC000270053415 510655068 /nfs/dbraw/zinc/65/50/68/510655068.db2.gz CUIXLGHUOLYBKN-UHFFFAOYSA-N 1 3 370.497 2.504 20 0 FFADHO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@H]1OC ZINC000181975972 510687013 /nfs/dbraw/zinc/68/70/13/510687013.db2.gz XGDQSHWBYNCPSX-RTBURBONSA-N 1 3 361.530 2.661 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000178713113 510733963 /nfs/dbraw/zinc/73/39/63/510733963.db2.gz ZXAYVPPMRHOZAN-GOSISDBHSA-N 1 3 373.545 2.782 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000191606945 510748539 /nfs/dbraw/zinc/74/85/39/510748539.db2.gz GXPFLZFLIAHSBX-LJQANCHMSA-N 1 3 355.530 2.939 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000175773200 510783936 /nfs/dbraw/zinc/78/39/36/510783936.db2.gz IIUJGXPXUVVHMF-MJGOQNOKSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000247002341 510793052 /nfs/dbraw/zinc/79/30/52/510793052.db2.gz RHYVXIAEQMLYDM-NEWSRXKRSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000247002341 510793054 /nfs/dbraw/zinc/79/30/54/510793054.db2.gz RHYVXIAEQMLYDM-NEWSRXKRSA-N 1 3 356.514 2.575 20 0 FFADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000182173685 510795679 /nfs/dbraw/zinc/79/56/79/510795679.db2.gz BJQFKNQIKVJQQI-OAHLLOKOSA-N 1 3 356.470 2.831 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247050791 510817082 /nfs/dbraw/zinc/81/70/82/510817082.db2.gz ZIHXMQIKPOGJIK-LRQRDZAKSA-N 1 3 362.489 2.652 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247050791 510817089 /nfs/dbraw/zinc/81/70/89/510817089.db2.gz ZIHXMQIKPOGJIK-LRQRDZAKSA-N 1 3 362.489 2.652 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000247207779 510851744 /nfs/dbraw/zinc/85/17/44/510851744.db2.gz WTILCQSIXALAKK-CVEARBPZSA-N 1 3 353.532 2.831 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)CC[C@H]3CCCCN3C)c2cc1C ZINC000247214807 510852660 /nfs/dbraw/zinc/85/26/60/510852660.db2.gz CNUBVYOBWWWDGG-MOPGFXCFSA-N 1 3 358.530 2.820 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)CC[C@H]3CCCCN3C)c2cc1C ZINC000247214807 510852661 /nfs/dbraw/zinc/85/26/61/510852661.db2.gz CNUBVYOBWWWDGG-MOPGFXCFSA-N 1 3 358.530 2.820 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000247308124 510856363 /nfs/dbraw/zinc/85/63/63/510856363.db2.gz HITYNTZPICQELE-IMFGXOCKSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000247308124 510856364 /nfs/dbraw/zinc/85/63/64/510856364.db2.gz HITYNTZPICQELE-IMFGXOCKSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000360899961 510962900 /nfs/dbraw/zinc/96/29/00/510962900.db2.gz DALXUAPHIIMWDF-LZJOCLMNSA-N 1 3 370.541 2.994 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000360899959 510963110 /nfs/dbraw/zinc/96/31/10/510963110.db2.gz DALXUAPHIIMWDF-CBGDNZLLSA-N 1 3 370.541 2.994 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000360927866 510967149 /nfs/dbraw/zinc/96/71/49/510967149.db2.gz POUIXMPWAAPFAW-HDICACEKSA-N 1 3 373.541 2.710 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000360927866 510967151 /nfs/dbraw/zinc/96/71/51/510967151.db2.gz POUIXMPWAAPFAW-HDICACEKSA-N 1 3 373.541 2.710 20 0 FFADHO CN1CCC([N@@H+]2CC[C@H](N[C@@H](c3ccccc3)c3ccccn3)C2)CC1 ZINC000361067437 510988527 /nfs/dbraw/zinc/98/85/27/510988527.db2.gz MZMFXXZQOYZMMI-UGKGYDQZSA-N 1 3 350.510 2.929 20 0 FFADHO CN1CCC([N@H+]2CC[C@H](N[C@@H](c3ccccc3)c3ccccn3)C2)CC1 ZINC000361067437 510988532 /nfs/dbraw/zinc/98/85/32/510988532.db2.gz MZMFXXZQOYZMMI-UGKGYDQZSA-N 1 3 350.510 2.929 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4c3OCC4(C)C)CC2)CC1 ZINC000279274801 511026772 /nfs/dbraw/zinc/02/67/72/511026772.db2.gz SEOBEVVHCIMMKW-UHFFFAOYSA-N 1 3 371.525 2.645 20 0 FFADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C12CCCN1CCC2 ZINC000279531288 511117712 /nfs/dbraw/zinc/11/77/12/511117712.db2.gz WATAPPRIFRUCCP-IHWFROFDSA-N 1 3 353.510 2.927 20 0 FFADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C12CCCN1CCC2 ZINC000279531288 511117718 /nfs/dbraw/zinc/11/77/18/511117718.db2.gz WATAPPRIFRUCCP-IHWFROFDSA-N 1 3 353.510 2.927 20 0 FFADHO COc1ccc([C@H](CN(C)C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298006884 511140544 /nfs/dbraw/zinc/14/05/44/511140544.db2.gz BTFBPTAUQALFHX-NRFANRHFSA-N 1 3 354.498 2.952 20 0 FFADHO COCc1cc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000298231749 511216873 /nfs/dbraw/zinc/21/68/73/511216873.db2.gz BJGSIRKDVJVALC-UHFFFAOYSA-N 1 3 372.513 2.509 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H]1C ZINC000279873273 511248462 /nfs/dbraw/zinc/24/84/62/511248462.db2.gz JSGQGHHACWDZKU-NBHGPNQESA-N 1 3 374.525 2.711 20 0 FFADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271742125 511307114 /nfs/dbraw/zinc/30/71/14/511307114.db2.gz FOGBHOKWGWVAII-IXDOHACOSA-N 1 3 367.559 2.743 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271742125 511307115 /nfs/dbraw/zinc/30/71/15/511307115.db2.gz FOGBHOKWGWVAII-IXDOHACOSA-N 1 3 367.559 2.743 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@@H](C)O1 ZINC000271758299 511313643 /nfs/dbraw/zinc/31/36/43/511313643.db2.gz XVMZXIYAHMWIJU-IAGOWNOFSA-N 1 3 356.514 2.895 20 0 FFADHO C[C@H](NCCCC[NH+](C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280097456 511334152 /nfs/dbraw/zinc/33/41/52/511334152.db2.gz MWBQGKLAIIBBMO-JTQLQIEISA-N 1 3 368.330 2.633 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000298576213 511334523 /nfs/dbraw/zinc/33/45/23/511334523.db2.gz HTVCPRZMAPFSNW-FQEVSTJZSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](CC)CC1)c1ccsc1 ZINC000298581453 511337424 /nfs/dbraw/zinc/33/74/24/511337424.db2.gz LZRBDBNKKUOMLM-KRWDZBQOSA-N 1 3 352.548 2.915 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000333782490 511354277 /nfs/dbraw/zinc/35/42/77/511354277.db2.gz DXPGVDNOUBZKGS-JAXLGGSGSA-N 1 3 370.541 2.812 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333876050 511379308 /nfs/dbraw/zinc/37/93/08/511379308.db2.gz VIPDXXSGIMROPH-BRWVUGGUSA-N 1 3 355.482 2.716 20 0 FFADHO CN(c1ccccc1CNCC1([S@](C)=O)CCC1)C1CC[NH+](C)CC1 ZINC000280570003 511516300 /nfs/dbraw/zinc/51/63/00/511516300.db2.gz GNPFGZZMPSWKCD-VWLOTQADSA-N 1 3 363.571 2.608 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000365626515 511567467 /nfs/dbraw/zinc/56/74/67/511567467.db2.gz NZVFZXVGFIAQMD-IBGZPJMESA-N 1 3 358.530 2.843 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(Br)ncc1F ZINC000273814925 511618406 /nfs/dbraw/zinc/61/84/06/511618406.db2.gz BRBMQHHHRSPOJP-ZDUSSCGKSA-N 1 3 373.314 2.661 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(Br)ncc1F ZINC000273814925 511618408 /nfs/dbraw/zinc/61/84/08/511618408.db2.gz BRBMQHHHRSPOJP-ZDUSSCGKSA-N 1 3 373.314 2.661 20 0 FFADHO C[C@H](NCCCN1CCC[N@H+](C)CC1)c1cc(Br)ncc1F ZINC000273814925 511618413 /nfs/dbraw/zinc/61/84/13/511618413.db2.gz BRBMQHHHRSPOJP-ZDUSSCGKSA-N 1 3 373.314 2.661 20 0 FFADHO C[C@H](NCCCN1CCC[N@@H+](C)CC1)c1cc(Br)ncc1F ZINC000273814925 511618416 /nfs/dbraw/zinc/61/84/16/511618416.db2.gz BRBMQHHHRSPOJP-ZDUSSCGKSA-N 1 3 373.314 2.661 20 0 FFADHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000284256223 511658599 /nfs/dbraw/zinc/65/85/99/511658599.db2.gz VYJTUUCWKDWHLD-NRFANRHFSA-N 1 3 356.514 2.654 20 0 FFADHO CO[C@H](Cc1ccccc1)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000296225404 511663741 /nfs/dbraw/zinc/66/37/41/511663741.db2.gz HBYKNEPWGOYAID-JOCHJYFZSA-N 1 3 359.558 2.735 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000365901066 511719186 /nfs/dbraw/zinc/71/91/86/511719186.db2.gz BFCSVGKEHMRGFW-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CN1CCCC1 ZINC000315119728 511797724 /nfs/dbraw/zinc/79/77/24/511797724.db2.gz ZSWCNQGXFRQLOC-ZBFHGGJFSA-N 1 3 371.319 2.510 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000366291486 511942985 /nfs/dbraw/zinc/94/29/85/511942985.db2.gz XOJYKBRYLMGNLU-UGKGYDQZSA-N 1 3 358.574 2.513 20 0 FFADHO COCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000293378014 511943017 /nfs/dbraw/zinc/94/30/17/511943017.db2.gz IFPQJGVVZSDZPS-NJDAHSKKSA-N 1 3 358.526 2.930 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C4CC4)n3)CC2)CC1 ZINC000297132363 512032097 /nfs/dbraw/zinc/03/20/97/512032097.db2.gz YQQILDGZXQXICC-UHFFFAOYSA-N 1 3 357.502 2.639 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000373714222 512469559 /nfs/dbraw/zinc/46/95/59/512469559.db2.gz VVVDXJSSVFFNKX-LNRXMEIDSA-N 1 3 358.526 2.938 20 0 FFADHO CN(C)[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1 ZINC000411146235 512489821 /nfs/dbraw/zinc/48/98/21/512489821.db2.gz NDDUBAIFDMDJTC-RBUKOAKNSA-N 1 3 361.555 2.623 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cscc3Br)C2)CC1 ZINC000375790072 512507665 /nfs/dbraw/zinc/50/76/65/512507665.db2.gz VTCCEVNJILQKBY-CYBMUJFWSA-N 1 3 358.349 2.769 20 0 FFADHO CN1CCC([N@@H+]2CC[C@@H](NCc3cscc3Br)C2)CC1 ZINC000375790072 512507667 /nfs/dbraw/zinc/50/76/67/512507667.db2.gz VTCCEVNJILQKBY-CYBMUJFWSA-N 1 3 358.349 2.769 20 0 FFADHO CN1CCC([N@H+]2CC[C@@H](NCc3cscc3Br)C2)CC1 ZINC000375790072 512507670 /nfs/dbraw/zinc/50/76/70/512507670.db2.gz VTCCEVNJILQKBY-CYBMUJFWSA-N 1 3 358.349 2.769 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000373933016 512579280 /nfs/dbraw/zinc/57/92/80/512579280.db2.gz JQPQEGBNRSNKGC-AABGKKOBSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000373933016 512579286 /nfs/dbraw/zinc/57/92/86/512579286.db2.gz JQPQEGBNRSNKGC-AABGKKOBSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376016372 512618109 /nfs/dbraw/zinc/61/81/09/512618109.db2.gz WYTDPQXTNHIEBC-UHFFFAOYSA-N 1 3 364.559 2.838 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000369873664 512659140 /nfs/dbraw/zinc/65/91/40/512659140.db2.gz UIDBTWRUXMCTIK-SFTDATJTSA-N 1 3 368.525 2.554 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000369873664 512659145 /nfs/dbraw/zinc/65/91/45/512659145.db2.gz UIDBTWRUXMCTIK-SFTDATJTSA-N 1 3 368.525 2.554 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374196485 512703021 /nfs/dbraw/zinc/70/30/21/512703021.db2.gz AHPYXNFZBREOLN-UZKOGDIHSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374196485 512703026 /nfs/dbraw/zinc/70/30/26/512703026.db2.gz AHPYXNFZBREOLN-UZKOGDIHSA-N 1 3 372.557 2.880 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnn2ccccc12 ZINC000374282653 512744243 /nfs/dbraw/zinc/74/42/43/512744243.db2.gz GHUJMVAIQHVMQZ-UHFFFAOYSA-N 1 3 369.557 2.962 20 0 FFADHO COC(=O)c1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1C ZINC000368021708 512768551 /nfs/dbraw/zinc/76/85/51/512768551.db2.gz MGWRZGDUVKPRJB-HNNXBMFYSA-N 1 3 361.511 2.875 20 0 FFADHO COC(=O)c1cc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1C ZINC000368021708 512768553 /nfs/dbraw/zinc/76/85/53/512768553.db2.gz MGWRZGDUVKPRJB-HNNXBMFYSA-N 1 3 361.511 2.875 20 0 FFADHO Cn1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c(-c2cccs2)n1 ZINC000368046345 512778472 /nfs/dbraw/zinc/77/84/72/512778472.db2.gz YEJJRVJSUXHTEV-UHFFFAOYSA-N 1 3 373.570 2.608 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@]3(F)c3ccccc3)CC2)CC1 ZINC000411770370 512802965 /nfs/dbraw/zinc/80/29/65/512802965.db2.gz XTQWKGGOTCVXOM-CTNGQTDRSA-N 1 3 359.489 2.546 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000372419525 512865136 /nfs/dbraw/zinc/86/51/36/512865136.db2.gz CSKVBRALAMJPTQ-PXNSSMCTSA-N 1 3 359.514 2.728 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000376594292 512889792 /nfs/dbraw/zinc/88/97/92/512889792.db2.gz DDADVZWZFGVQIX-HXUWFJFHSA-N 1 3 373.589 2.815 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000376594292 512889797 /nfs/dbraw/zinc/88/97/97/512889797.db2.gz DDADVZWZFGVQIX-HXUWFJFHSA-N 1 3 373.589 2.815 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114421 512913764 /nfs/dbraw/zinc/91/37/64/512913764.db2.gz GOCFSWOKWDEFKQ-JSGCOSHPSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114421 512913767 /nfs/dbraw/zinc/91/37/67/512913767.db2.gz GOCFSWOKWDEFKQ-JSGCOSHPSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114421 512913770 /nfs/dbraw/zinc/91/37/70/512913770.db2.gz GOCFSWOKWDEFKQ-JSGCOSHPSA-N 1 3 359.297 2.807 20 0 FFADHO [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391007360 512914216 /nfs/dbraw/zinc/91/42/16/512914216.db2.gz IOPPWISYMHOMDY-LEWJYISDSA-N 1 3 373.541 2.691 20 0 FFADHO [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391007718 512914712 /nfs/dbraw/zinc/91/47/12/512914712.db2.gz IOPPWISYMHOMDY-RTWAWAEBSA-N 1 3 373.541 2.691 20 0 FFADHO CC(C)(C)c1ncc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397537385 512947723 /nfs/dbraw/zinc/94/77/23/512947723.db2.gz IDTWXQNWFFODFK-UHFFFAOYSA-N 1 3 368.525 2.891 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CCCN(CCCc3ccccc3)CC2)CCC1 ZINC000445876018 513136722 /nfs/dbraw/zinc/13/67/22/513136722.db2.gz RMLUVQBGJZOPJD-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417690018 513164020 /nfs/dbraw/zinc/16/40/20/513164020.db2.gz KRRMDLPVPKQVKT-LMMKCTJWSA-N 1 3 358.530 2.838 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000417692906 513165787 /nfs/dbraw/zinc/16/57/87/513165787.db2.gz YVHVRIDJMDSZNT-LSTHTHJFSA-N 1 3 372.557 2.838 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417729383 513184342 /nfs/dbraw/zinc/18/43/42/513184342.db2.gz CBEUWOKBNQFGAX-ZMSDIMECSA-N 1 3 352.548 2.804 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000417730226 513184477 /nfs/dbraw/zinc/18/44/77/513184477.db2.gz DGRSROYRCIARJO-YOEHRIQHSA-N 1 3 350.532 2.524 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417736824 513187352 /nfs/dbraw/zinc/18/73/52/513187352.db2.gz MYOGFZDYCIYVOY-VYDXJSESSA-N 1 3 350.532 2.524 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000417738241 513188747 /nfs/dbraw/zinc/18/87/47/513188747.db2.gz OOUMOUZRIRIKBA-INMHGKMJSA-N 1 3 350.532 2.524 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417741110 513189892 /nfs/dbraw/zinc/18/98/92/513189892.db2.gz TUFAMFDQHVYCNG-GOEBONIOSA-N 1 3 352.548 2.757 20 0 FFADHO CN(C)[C@]1(CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCSC1 ZINC000417809045 513215643 /nfs/dbraw/zinc/21/56/43/513215643.db2.gz AQEZXKZTWQKYIX-ICSRJNTNSA-N 1 3 372.538 2.576 20 0 FFADHO C[C@@H](CCNC(=O)NC[C@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000417815476 513218875 /nfs/dbraw/zinc/21/88/75/513218875.db2.gz ORAQMAFOKJNECM-PXNSSMCTSA-N 1 3 354.498 2.896 20 0 FFADHO C[C@@H](CCNC(=O)NC[C@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417815476 513218879 /nfs/dbraw/zinc/21/88/79/513218879.db2.gz ORAQMAFOKJNECM-PXNSSMCTSA-N 1 3 354.498 2.896 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417827929 513224501 /nfs/dbraw/zinc/22/45/01/513224501.db2.gz DUNQMAAQHKAURP-ZULIPRJHSA-N 1 3 358.530 2.951 20 0 FFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)NCC1C[NH2+]C1 ZINC000417827482 513224723 /nfs/dbraw/zinc/22/47/23/513224723.db2.gz OBKJVPNAJFLTAQ-UHFFFAOYSA-N 1 3 366.509 2.598 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000446293643 513230222 /nfs/dbraw/zinc/23/02/22/513230222.db2.gz PQXOGLOZWVIAAI-WOIUINJBSA-N 1 3 373.541 2.677 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CN1Cc1ccccc1 ZINC000417865306 513245361 /nfs/dbraw/zinc/24/53/61/513245361.db2.gz CITVWBPKLNLBHA-UYAOXDASSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000446378579 513250655 /nfs/dbraw/zinc/25/06/55/513250655.db2.gz VPRROJPAXFCDOR-CTWQGKMFSA-N 1 3 373.541 2.765 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000450743764 513322731 /nfs/dbraw/zinc/32/27/31/513322731.db2.gz JBMCWLNSIRHMQJ-CTNGQTDRSA-N 1 3 359.558 2.501 20 0 FFADHO OCC[C@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@@H]2CCO)ccc1F ZINC000450787190 513342035 /nfs/dbraw/zinc/34/20/35/513342035.db2.gz ICKQQRYWOVIWPR-RTBURBONSA-N 1 3 350.478 2.519 20 0 FFADHO OCC[C@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@@H]2CCO)ccc1F ZINC000450787190 513342042 /nfs/dbraw/zinc/34/20/42/513342042.db2.gz ICKQQRYWOVIWPR-RTBURBONSA-N 1 3 350.478 2.519 20 0 FFADHO C[C@@]1(CNC(=O)NCC[C@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418048528 513352922 /nfs/dbraw/zinc/35/29/22/513352922.db2.gz VZXATEMZDQCPRC-NQIIRXRSSA-N 1 3 358.530 2.730 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(Br)cc1 ZINC000429418314 513371549 /nfs/dbraw/zinc/37/15/49/513371549.db2.gz NEZBFEYFDGOVPK-CGTJXYLNSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(Br)cc1 ZINC000429418314 513371556 /nfs/dbraw/zinc/37/15/56/513371556.db2.gz NEZBFEYFDGOVPK-CGTJXYLNSA-N 1 3 367.331 2.817 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000421708970 513381421 /nfs/dbraw/zinc/38/14/21/513381421.db2.gz BTYXKIRIWUGGLM-QZTJIDSGSA-N 1 3 365.468 2.696 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000421708970 513381427 /nfs/dbraw/zinc/38/14/27/513381427.db2.gz BTYXKIRIWUGGLM-QZTJIDSGSA-N 1 3 365.468 2.696 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000418129324 513383600 /nfs/dbraw/zinc/38/36/00/513383600.db2.gz BKZVYYLBSULVIY-VDGAXYAQSA-N 1 3 358.530 2.584 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418143438 513389361 /nfs/dbraw/zinc/38/93/61/513389361.db2.gz MEENWDZJVXGHQM-DBVUQKKJSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418153785 513394902 /nfs/dbraw/zinc/39/49/02/513394902.db2.gz JDHUPDRJIJALFE-WIYYLYMNSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418161609 513398317 /nfs/dbraw/zinc/39/83/17/513398317.db2.gz BZWPEKIYMRIWQB-UMSONDCASA-N 1 3 366.509 2.814 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)C1CC[NH2+]CC1 ZINC000418164852 513400562 /nfs/dbraw/zinc/40/05/62/513400562.db2.gz IRYMPJYTNGDKDW-WBVHZDCISA-N 1 3 350.507 2.882 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418170703 513403824 /nfs/dbraw/zinc/40/38/24/513403824.db2.gz NGLVNVGKNBBGSI-KDURUIRLSA-N 1 3 362.562 2.674 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccco1 ZINC000418172350 513404624 /nfs/dbraw/zinc/40/46/24/513404624.db2.gz WSLWIOJVWINIPU-VQHPVUNQSA-N 1 3 350.507 2.773 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418175774 513406587 /nfs/dbraw/zinc/40/65/87/513406587.db2.gz VVVGURIWWVOMPH-OXQOHEQNSA-N 1 3 374.529 2.571 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N(C)C ZINC000418183575 513410471 /nfs/dbraw/zinc/41/04/71/513410471.db2.gz OLFGECQCWNFRIX-HNULKUCHSA-N 1 3 358.530 2.755 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418191923 513414309 /nfs/dbraw/zinc/41/43/09/513414309.db2.gz LQTORYUDZNAOFD-IAGOWNOFSA-N 1 3 370.488 2.770 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418195849 513415705 /nfs/dbraw/zinc/41/57/05/513415705.db2.gz QJRHHUYLBLYQRX-DBVUQKKJSA-N 1 3 360.546 2.785 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N(CC)CC)cc1 ZINC000418208750 513423354 /nfs/dbraw/zinc/42/33/54/513423354.db2.gz DIOZUHHSNFZQBU-UYAOXDASSA-N 1 3 360.546 2.931 20 0 FFADHO C[C@H](CC[NH3+])NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415801185 513427955 /nfs/dbraw/zinc/42/79/55/513427955.db2.gz GADIVZRWMJYYPJ-GFCCVEGCSA-N 1 3 354.882 2.672 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000418230804 513431887 /nfs/dbraw/zinc/43/18/87/513431887.db2.gz JTFRPTNCSTXLLB-NJAFHUGGSA-N 1 3 364.559 2.828 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000418232384 513433843 /nfs/dbraw/zinc/43/38/43/513433843.db2.gz DKYHGNXTAJQARK-RBUKOAKNSA-N 1 3 364.578 2.917 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418235368 513435728 /nfs/dbraw/zinc/43/57/28/513435728.db2.gz SGVRWZAXSLXMJV-CRAIPNDOSA-N 1 3 364.559 2.700 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000418238108 513436805 /nfs/dbraw/zinc/43/68/05/513436805.db2.gz WWEUZSODJVYLOX-SJLPKXTDSA-N 1 3 364.559 2.843 20 0 FFADHO CN(CCCN(C)C(=O)NCC1([NH3+])CCCCCC1)Cc1ccco1 ZINC000418280642 513450022 /nfs/dbraw/zinc/45/00/22/513450022.db2.gz BJIMEMZPTLHWNU-UHFFFAOYSA-N 1 3 350.507 2.795 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000415931426 513485700 /nfs/dbraw/zinc/48/57/00/513485700.db2.gz BQZHDBFJOMSTPK-UHFFFAOYSA-N 1 3 368.481 2.764 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418369572 513486243 /nfs/dbraw/zinc/48/62/43/513486243.db2.gz NRAODAPIFSHKPA-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415942621 513490773 /nfs/dbraw/zinc/49/07/73/513490773.db2.gz BJFYGYTWUVBCHR-JXFKEZNVSA-N 1 3 368.481 2.809 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418427676 513505858 /nfs/dbraw/zinc/50/58/58/513505858.db2.gz LJHFTMBOGXAROU-GHTZIAJQSA-N 1 3 366.509 2.992 20 0 FFADHO [NH3+][C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000418438815 513510210 /nfs/dbraw/zinc/51/02/10/513510210.db2.gz ZCTPWMNQBFJFNA-FQEVSTJZSA-N 1 3 352.482 2.604 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000415974656 513510998 /nfs/dbraw/zinc/51/09/98/513510998.db2.gz RKOKXIWVLULSQM-CALCHBBNSA-N 1 3 374.529 2.759 20 0 FFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000447594634 513517721 /nfs/dbraw/zinc/51/77/21/513517721.db2.gz HHMMRIAOUKSOLD-MRXNPFEDSA-N 1 3 368.543 2.632 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418502729 513537067 /nfs/dbraw/zinc/53/70/67/513537067.db2.gz VSHCSBQFSVYDLG-HXUWFJFHSA-N 1 3 354.498 2.871 20 0 FFADHO Cc1cc(Br)ccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441356276 513549398 /nfs/dbraw/zinc/54/93/98/513549398.db2.gz QEMJBQOVUPDSOB-UHFFFAOYSA-N 1 3 354.336 2.873 20 0 FFADHO C[C@]1(CNC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)CCC[NH2+]C1 ZINC000418541556 513549863 /nfs/dbraw/zinc/54/98/63/513549863.db2.gz NOAMNWCBFJESDX-SJBKTWHCSA-N 1 3 370.541 2.540 20 0 FFADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1Br ZINC000441360158 513550862 /nfs/dbraw/zinc/55/08/62/513550862.db2.gz XQGPXOJKZBFUOS-UHFFFAOYSA-N 1 3 354.336 2.873 20 0 FFADHO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418554490 513555919 /nfs/dbraw/zinc/55/59/19/513555919.db2.gz VMTKCNKQRRCTPQ-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425453709 513574939 /nfs/dbraw/zinc/57/49/39/513574939.db2.gz ZFUAHIQWKQOCRL-DOIPELPJSA-N 1 3 368.525 2.529 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425453709 513574946 /nfs/dbraw/zinc/57/49/46/513574946.db2.gz ZFUAHIQWKQOCRL-DOIPELPJSA-N 1 3 368.525 2.529 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000418609183 513575984 /nfs/dbraw/zinc/57/59/84/513575984.db2.gz BTEWPUBBVUSKMC-IAGOWNOFSA-N 1 3 352.910 2.759 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000418609671 513577363 /nfs/dbraw/zinc/57/73/63/513577363.db2.gz COMZCQYMFYTFDT-PXNSSMCTSA-N 1 3 358.530 2.810 20 0 FFADHO CCN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418623614 513580913 /nfs/dbraw/zinc/58/09/13/513580913.db2.gz OKNCJDLCZZLRSV-VQTJNVASSA-N 1 3 358.530 2.810 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000418634050 513584709 /nfs/dbraw/zinc/58/47/09/513584709.db2.gz JASZQDNKCCKTTB-ICSRJNTNSA-N 1 3 356.514 2.533 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000418636947 513585535 /nfs/dbraw/zinc/58/55/35/513585535.db2.gz MTSORIKOVBKIMO-FQEVSTJZSA-N 1 3 356.514 2.533 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418646845 513589414 /nfs/dbraw/zinc/58/94/14/513589414.db2.gz FXHNQKACXRVQGT-AOKPMGOMSA-N 1 3 370.541 2.702 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418656421 513596208 /nfs/dbraw/zinc/59/62/08/513596208.db2.gz SJDAPKCTQQTHOX-HXUWFJFHSA-N 1 3 354.498 2.809 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416145976 513598173 /nfs/dbraw/zinc/59/81/73/513598173.db2.gz STCHYGSVPSYOKD-FQEVSTJZSA-N 1 3 369.509 2.936 20 0 FFADHO CN1CC[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000416176034 513623717 /nfs/dbraw/zinc/62/37/17/513623717.db2.gz CPJNUURKTDOYQO-GGAORHGYSA-N 1 3 363.505 2.996 20 0 FFADHO CN1CC[C@@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000416176034 513623719 /nfs/dbraw/zinc/62/37/19/513623719.db2.gz CPJNUURKTDOYQO-GGAORHGYSA-N 1 3 363.505 2.996 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418721467 513624023 /nfs/dbraw/zinc/62/40/23/513624023.db2.gz HHMLPFPVBHLKDI-PKOBYXMFSA-N 1 3 364.509 2.500 20 0 FFADHO CN1C(=O)NCC12CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000425544638 513630645 /nfs/dbraw/zinc/63/06/45/513630645.db2.gz QYTIWAGQMSWSGB-UHFFFAOYSA-N 1 3 356.514 2.662 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000422205003 513636904 /nfs/dbraw/zinc/63/69/04/513636904.db2.gz IXNVFRZDNZHVSK-WMZOPIPTSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000422205003 513636907 /nfs/dbraw/zinc/63/69/07/513636907.db2.gz IXNVFRZDNZHVSK-WMZOPIPTSA-N 1 3 364.559 2.747 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418757168 513642789 /nfs/dbraw/zinc/64/27/89/513642789.db2.gz DLIFFTSJGAGRFB-UHFFFAOYSA-N 1 3 374.529 2.506 20 0 FFADHO CCN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418768499 513648155 /nfs/dbraw/zinc/64/81/55/513648155.db2.gz MLEMYCJCHSUHKQ-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000422237022 513652001 /nfs/dbraw/zinc/65/20/01/513652001.db2.gz PTUJSABOUVWIBZ-SOLBZPMBSA-N 1 3 364.559 2.867 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000422237022 513652011 /nfs/dbraw/zinc/65/20/11/513652011.db2.gz PTUJSABOUVWIBZ-SOLBZPMBSA-N 1 3 364.559 2.867 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418802324 513662034 /nfs/dbraw/zinc/66/20/34/513662034.db2.gz VUQAGVAQMFZLLR-FGTMMUONSA-N 1 3 364.578 2.917 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435769228 513680943 /nfs/dbraw/zinc/68/09/43/513680943.db2.gz JKWLHSXLXUOOIH-HKUYNNGSSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435769228 513680944 /nfs/dbraw/zinc/68/09/44/513680944.db2.gz JKWLHSXLXUOOIH-HKUYNNGSSA-N 1 3 350.551 2.957 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000448257902 513721369 /nfs/dbraw/zinc/72/13/69/513721369.db2.gz SPDTUUYWIGJIRF-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419549 513739541 /nfs/dbraw/zinc/73/95/41/513739541.db2.gz LLPLHBDZKSOODA-YAQSTLMLSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@H](CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419549 513739545 /nfs/dbraw/zinc/73/95/45/513739545.db2.gz LLPLHBDZKSOODA-YAQSTLMLSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451419549 513739553 /nfs/dbraw/zinc/73/95/53/513739553.db2.gz LLPLHBDZKSOODA-YAQSTLMLSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451419549 513739557 /nfs/dbraw/zinc/73/95/57/513739557.db2.gz LLPLHBDZKSOODA-YAQSTLMLSA-N 1 3 364.574 2.873 20 0 FFADHO CC(C)[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000436128096 513768751 /nfs/dbraw/zinc/76/87/51/513768751.db2.gz LNNNDLRNOBSYBT-KRWDZBQOSA-N 1 3 350.551 2.623 20 0 FFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430874571 513769743 /nfs/dbraw/zinc/76/97/43/513769743.db2.gz FCFHZVNFOLNDHE-HXUWFJFHSA-N 1 3 360.502 2.957 20 0 FFADHO C[C@H]([NH3+])C1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000430935596 513785468 /nfs/dbraw/zinc/78/54/68/513785468.db2.gz QXRNFWQSLVURRG-SUMWQHHRSA-N 1 3 367.440 2.843 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)CN(C)C ZINC000425944773 513803963 /nfs/dbraw/zinc/80/39/63/513803963.db2.gz YVKJZBDRWDGNGB-IXDOHACOSA-N 1 3 357.498 2.771 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431037626 513811775 /nfs/dbraw/zinc/81/17/75/513811775.db2.gz LAJCRUFPCIFLLS-FQEVSTJZSA-N 1 3 371.525 2.824 20 0 FFADHO CC(C)N(C)CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000436278057 513815011 /nfs/dbraw/zinc/81/50/11/513815011.db2.gz ATODUKFNCQVXTK-UHFFFAOYSA-N 1 3 357.498 2.914 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442964447 513830276 /nfs/dbraw/zinc/83/02/76/513830276.db2.gz IAXOLVNUDOXYPI-CZTZKLFOSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442964447 513830280 /nfs/dbraw/zinc/83/02/80/513830280.db2.gz IAXOLVNUDOXYPI-CZTZKLFOSA-N 1 3 355.526 2.841 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2nc(C(C)C)c(C)s2)CC[NH2+]CC1 ZINC000422703269 513907036 /nfs/dbraw/zinc/90/70/36/513907036.db2.gz HJRYKHXPPFMBPC-CQSZACIVSA-N 1 3 353.532 2.986 20 0 FFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422751277 513922528 /nfs/dbraw/zinc/92/25/28/513922528.db2.gz BDEHUIORHIPCMS-HSALFYBXSA-N 1 3 362.489 2.621 20 0 FFADHO O[C@@H]1CC[C@@H]2CN(C/C=C\C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705440 513925065 /nfs/dbraw/zinc/92/50/65/513925065.db2.gz YRELBLDHNBVZBR-TUQDLMLESA-N 1 3 362.558 2.508 20 0 FFADHO O[C@@H]1CC[C@@H]2CN(C/C=C\C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705440 513925072 /nfs/dbraw/zinc/92/50/72/513925072.db2.gz YRELBLDHNBVZBR-TUQDLMLESA-N 1 3 362.558 2.508 20 0 FFADHO CC[C@@H]([NH2+]CCN1CCc2cc(OC)c(OC)cc2C1)[C@@H]1CCCCN1 ZINC000422769890 513927660 /nfs/dbraw/zinc/92/76/60/513927660.db2.gz UJJDPBGMUKLTTK-MOPGFXCFSA-N 1 3 361.530 2.572 20 0 FFADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000422774064 513928247 /nfs/dbraw/zinc/92/82/47/513928247.db2.gz ZWWACCBAHQTROL-ZCNNSNEGSA-N 1 3 373.541 2.572 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000422808689 513938385 /nfs/dbraw/zinc/93/83/85/513938385.db2.gz LIRXVPUBYFFWBA-GOSISDBHSA-N 1 3 367.541 2.712 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCN(c2ccccc2)CC1 ZINC000422809346 513939285 /nfs/dbraw/zinc/93/92/85/513939285.db2.gz MATAYEQFDJEFGX-OFNKIYASSA-N 1 3 366.553 2.747 20 0 FFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000422809346 513939293 /nfs/dbraw/zinc/93/92/93/513939293.db2.gz MATAYEQFDJEFGX-OFNKIYASSA-N 1 3 366.553 2.747 20 0 FFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422870047 513957340 /nfs/dbraw/zinc/95/73/40/513957340.db2.gz YGYWOHPCTCIIPR-FCGDIQPGSA-N 1 3 351.560 2.878 20 0 FFADHO C[C@@H]1CN([C@H](C[NH2+][C@H]2CCC[C@@H]2N)c2c(F)cccc2Cl)CCO1 ZINC000422874435 513960112 /nfs/dbraw/zinc/96/01/12/513960112.db2.gz CXOAGXSTJJHQDJ-ISWURRPUSA-N 1 3 355.885 2.710 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000416778463 513962667 /nfs/dbraw/zinc/96/26/67/513962667.db2.gz ALZNASAOYRTGLG-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935812 513982011 /nfs/dbraw/zinc/98/20/11/513982011.db2.gz DVPPKDDARAPFHP-RYUDHWBXSA-N 1 3 373.291 2.625 20 0 FFADHO CCOC(=O)C1([C@H](C)NC2(c3nc(C)cs3)CCC2)CC[NH2+]CC1 ZINC000422941153 513983824 /nfs/dbraw/zinc/98/38/24/513983824.db2.gz NXTSCLLUMFLKAT-AWEZNQCLSA-N 1 3 351.516 2.742 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000416831095 513989349 /nfs/dbraw/zinc/98/93/49/513989349.db2.gz HGSVLEBEXFSFBN-SJORKVTESA-N 1 3 364.559 2.820 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422955145 513991283 /nfs/dbraw/zinc/99/12/83/513991283.db2.gz ITJWZEJMTBAUSV-HIFRSBDPSA-N 1 3 358.873 2.958 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000416836911 513992137 /nfs/dbraw/zinc/99/21/37/513992137.db2.gz GZNGUSUZLXBQGV-FQEVSTJZSA-N 1 3 360.546 2.883 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416841007 513995041 /nfs/dbraw/zinc/99/50/41/513995041.db2.gz LNPOIDGZGSKGFW-HOTGVXAUSA-N 1 3 352.548 2.900 20 0 FFADHO [NH3+][C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000416841355 513995947 /nfs/dbraw/zinc/99/59/47/513995947.db2.gz LTNGFZYNSSISDY-IAGOWNOFSA-N 1 3 358.511 2.884 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000416841692 513997238 /nfs/dbraw/zinc/99/72/38/513997238.db2.gz MJVGFAHFWYOONV-ARFHVFGLSA-N 1 3 350.532 2.654 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)s1 ZINC000414181004 514000038 /nfs/dbraw/zinc/00/00/38/514000038.db2.gz BOKCSCMPYXFGOZ-CQSZACIVSA-N 1 3 357.951 2.849 20 0 FFADHO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@H]1C ZINC000414180486 514000850 /nfs/dbraw/zinc/00/08/50/514000850.db2.gz BGNHCZSBHNZSBR-AQNXPRMDSA-N 1 3 351.579 2.833 20 0 FFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(OC)c1 ZINC000414185127 514001672 /nfs/dbraw/zinc/00/16/72/514001672.db2.gz GKKHCIZJTRSHLN-HXUWFJFHSA-N 1 3 361.530 2.533 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422992276 514002132 /nfs/dbraw/zinc/00/21/32/514002132.db2.gz RBNJKVBIBWLPJI-OIISXLGYSA-N 1 3 360.420 2.986 20 0 FFADHO Cc1ccc(CC[C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414195691 514007182 /nfs/dbraw/zinc/00/71/82/514007182.db2.gz OFVPPCAQPAEGKS-FQEVSTJZSA-N 1 3 359.558 2.702 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423013306 514008139 /nfs/dbraw/zinc/00/81/39/514008139.db2.gz MNASCJOGYZPNSQ-NSHDSACASA-N 1 3 354.376 2.992 20 0 FFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040440 514015936 /nfs/dbraw/zinc/01/59/36/514015936.db2.gz HBMHIOPRYHGZKJ-ARKSPBFVSA-N 1 3 367.896 2.805 20 0 FFADHO Cc1cc(N2CC[C@H](N[C@@H](C)CCC[NH3+])C2=O)ccc1Br ZINC000423047931 514017826 /nfs/dbraw/zinc/01/78/26/514017826.db2.gz HSZUTXFTJFSHDJ-WFASDCNBSA-N 1 3 354.292 2.580 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C(C)C)CC1 ZINC000414255037 514023655 /nfs/dbraw/zinc/02/36/55/514023655.db2.gz CDRHJRGPWJFPKS-IFMALSPDSA-N 1 3 359.558 2.986 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000414263102 514025563 /nfs/dbraw/zinc/02/55/63/514025563.db2.gz JAYNXOJTUYECDX-OMTGHCCBSA-N 1 3 359.558 2.842 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416893233 514028140 /nfs/dbraw/zinc/02/81/40/514028140.db2.gz BYNBHXGHUOMSOO-PXNSSMCTSA-N 1 3 358.530 2.989 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000416902659 514035518 /nfs/dbraw/zinc/03/55/18/514035518.db2.gz BONFIAJCKMNBNF-HBFSDRIKSA-N 1 3 374.529 2.614 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1cccc(OC)c1 ZINC000416905607 514037112 /nfs/dbraw/zinc/03/71/12/514037112.db2.gz GKCDHBMVICEWCQ-HHXXYDBFSA-N 1 3 362.518 2.518 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423101379 514042726 /nfs/dbraw/zinc/04/27/26/514042726.db2.gz CUJVCSOWIYDPTQ-XLWJZTARSA-N 1 3 365.547 2.574 20 0 FFADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000414320080 514045390 /nfs/dbraw/zinc/04/53/90/514045390.db2.gz BAMMHDNUVHXMNT-SFTDATJTSA-N 1 3 373.541 2.677 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCn1cc(Br)cn1 ZINC000423123368 514050380 /nfs/dbraw/zinc/05/03/80/514050380.db2.gz LGMANYNDYGAXRW-XJKSGUPXSA-N 1 3 351.292 2.584 20 0 FFADHO COCC1CCC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414345924 514057271 /nfs/dbraw/zinc/05/72/71/514057271.db2.gz UJSDZXJTSBLVFP-UHFFFAOYSA-N 1 3 373.541 2.679 20 0 FFADHO C[C@H]([NH3+])CCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416954660 514065145 /nfs/dbraw/zinc/06/51/45/514065145.db2.gz IORULZOPFLFKHA-INIZCTEOSA-N 1 3 354.498 2.952 20 0 FFADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCCNCC2)cc1 ZINC000416958947 514067913 /nfs/dbraw/zinc/06/79/13/514067913.db2.gz MNGTWUGCWOUVEL-UHFFFAOYSA-N 1 3 366.509 2.920 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423168187 514068075 /nfs/dbraw/zinc/06/80/75/514068075.db2.gz XOOBTRRIHCKLMD-IGCXYCKISA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423168187 514068082 /nfs/dbraw/zinc/06/80/82/514068082.db2.gz XOOBTRRIHCKLMD-IGCXYCKISA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1CNC1 ZINC000423174269 514070352 /nfs/dbraw/zinc/07/03/52/514070352.db2.gz BYANUJHJNVCRNX-CYBMUJFWSA-N 1 3 352.320 2.611 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000416969339 514074474 /nfs/dbraw/zinc/07/44/74/514074474.db2.gz BOLHGLJOYJZGJE-JXFKEZNVSA-N 1 3 358.530 2.728 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCCC1 ZINC000416972481 514078743 /nfs/dbraw/zinc/07/87/43/514078743.db2.gz IKFYZGLNPDJCIW-OAQYLSRUSA-N 1 3 372.557 2.900 20 0 FFADHO Cc1nc2n(n1)C[C@H](NC1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)CC2 ZINC000449114936 514078835 /nfs/dbraw/zinc/07/88/35/514078835.db2.gz FUGFYNUUSOFTSB-OXJNMPFZSA-N 1 3 353.514 2.587 20 0 FFADHO COc1ccc([C@H](NCCN2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423210155 514080375 /nfs/dbraw/zinc/08/03/75/514080375.db2.gz VZORPWJEPVLKRJ-QGZVFWFLSA-N 1 3 370.335 2.650 20 0 FFADHO CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000423229004 514084342 /nfs/dbraw/zinc/08/43/42/514084342.db2.gz GHXKEJLZBCDHPO-PIMMBPRGSA-N 1 3 359.923 2.559 20 0 FFADHO C[C@@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000449130502 514085580 /nfs/dbraw/zinc/08/55/80/514085580.db2.gz GUXCNAGEBPDDMU-SFTDATJTSA-N 1 3 372.601 2.555 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000416978424 514085592 /nfs/dbraw/zinc/08/55/92/514085592.db2.gz RCUJTNMLGWIJNT-GOSISDBHSA-N 1 3 358.530 2.730 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@H](C)CN1 ZINC000416977987 514085865 /nfs/dbraw/zinc/08/58/65/514085865.db2.gz QNDXEDJJKKKKKM-KZNAEPCWSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@H](C)CN1 ZINC000416977987 514085869 /nfs/dbraw/zinc/08/58/69/514085869.db2.gz QNDXEDJJKKKKKM-KZNAEPCWSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000449137399 514089311 /nfs/dbraw/zinc/08/93/11/514089311.db2.gz YAWLGCXNQIHSCI-SFHVURJKSA-N 1 3 352.611 2.891 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423265801 514096141 /nfs/dbraw/zinc/09/61/41/514096141.db2.gz CZVXNCHBPZADBM-WDYCEAGBSA-N 1 3 367.559 2.885 20 0 FFADHO Cc1ccc(SCCNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420330115 514097134 /nfs/dbraw/zinc/09/71/34/514097134.db2.gz ABYGPXLKKRYMHK-ROUUACIJSA-N 1 3 361.555 2.525 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449160656 514098260 /nfs/dbraw/zinc/09/82/60/514098260.db2.gz CIGOFJXJDJWZDY-UHFFFAOYSA-N 1 3 364.287 2.544 20 0 FFADHO c1ccc(C(OCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccc2)cc1 ZINC000420348709 514105728 /nfs/dbraw/zinc/10/57/28/514105728.db2.gz MTAOBGXKGBIXBA-JOCHJYFZSA-N 1 3 365.521 2.772 20 0 FFADHO Brc1cccc(N2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000420363616 514110513 /nfs/dbraw/zinc/11/05/13/514110513.db2.gz BQCLMVZACQFQIN-UHFFFAOYSA-N 1 3 352.320 2.961 20 0 FFADHO NCc1cn([C@H]2CCC[N@H+](CCCOc3ccc4ccccc4c3)C2)nn1 ZINC000420378318 514117375 /nfs/dbraw/zinc/11/73/75/514117375.db2.gz LZQNWWCGRLOBEY-FQEVSTJZSA-N 1 3 365.481 2.996 20 0 FFADHO NCc1cn([C@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)nn1 ZINC000420378318 514117380 /nfs/dbraw/zinc/11/73/80/514117380.db2.gz LZQNWWCGRLOBEY-FQEVSTJZSA-N 1 3 365.481 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+])c1ccsc1 ZINC000417012850 514118196 /nfs/dbraw/zinc/11/81/96/514118196.db2.gz XSKRWQICKNLBRC-BHYGNILZSA-N 1 3 352.548 2.900 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc2o1 ZINC000420384377 514120889 /nfs/dbraw/zinc/12/08/89/514120889.db2.gz RRNACUJIPWHLEC-PXNSSMCTSA-N 1 3 372.465 2.938 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000417014691 514121204 /nfs/dbraw/zinc/12/12/04/514121204.db2.gz DUWQDJHGFYHIFK-KRWDZBQOSA-N 1 3 366.509 2.954 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420389501 514124540 /nfs/dbraw/zinc/12/45/40/514124540.db2.gz XPQJBWICHXQMLP-FQEVSTJZSA-N 1 3 354.502 2.586 20 0 FFADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391882 514126300 /nfs/dbraw/zinc/12/63/00/514126300.db2.gz PQBBJXOSFNIKGM-IAGOWNOFSA-N 1 3 371.447 2.843 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000417032335 514132310 /nfs/dbraw/zinc/13/23/10/514132310.db2.gz FCBJYJHOGIXXAH-DBXWQHBBSA-N 1 3 372.557 2.931 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417037101 514134393 /nfs/dbraw/zinc/13/43/93/514134393.db2.gz TZEPHYHWNQKPFJ-PZJWPPBQSA-N 1 3 356.514 2.609 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423496150 514152415 /nfs/dbraw/zinc/15/24/15/514152415.db2.gz DLGZDKBKLVTYOO-KXBFYZLASA-N 1 3 361.511 2.726 20 0 FFADHO CC(C)(CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417087240 514161277 /nfs/dbraw/zinc/16/12/77/514161277.db2.gz GVMRGULQWYVOHX-APWZRJJASA-N 1 3 358.530 2.640 20 0 FFADHO CC(C)(CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417087243 514161428 /nfs/dbraw/zinc/16/14/28/514161428.db2.gz GVMRGULQWYVOHX-VQIMIIECSA-N 1 3 358.530 2.640 20 0 FFADHO CCCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000417089519 514162771 /nfs/dbraw/zinc/16/27/71/514162771.db2.gz PVFGMODFZANSFP-IBGZPJMESA-N 1 3 358.530 2.607 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000444264915 514173213 /nfs/dbraw/zinc/17/32/13/514173213.db2.gz DWTOPTNRCRNUBT-FVQBIDKESA-N 1 3 355.404 2.566 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000449347528 514178100 /nfs/dbraw/zinc/17/81/00/514178100.db2.gz QRKULYAJGYROCE-LJQANCHMSA-N 1 3 356.558 2.745 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000449347528 514178107 /nfs/dbraw/zinc/17/81/07/514178107.db2.gz QRKULYAJGYROCE-LJQANCHMSA-N 1 3 356.558 2.745 20 0 FFADHO CC1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CCN(Cc2ccccc2)CC1 ZINC000423682996 514199554 /nfs/dbraw/zinc/19/95/54/514199554.db2.gz PAGMNQMJDPGYRE-UHFFFAOYSA-N 1 3 355.526 2.891 20 0 FFADHO COC[C@]1(C(=O)OC)CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000449456871 514217524 /nfs/dbraw/zinc/21/75/24/514217524.db2.gz TVKRWUKYEYNOQS-NRFANRHFSA-N 1 3 362.514 2.656 20 0 FFADHO COC[C@]1(C(=O)OC)CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000449456871 514217531 /nfs/dbraw/zinc/21/75/31/514217531.db2.gz TVKRWUKYEYNOQS-NRFANRHFSA-N 1 3 362.514 2.656 20 0 FFADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449464795 514219952 /nfs/dbraw/zinc/21/99/52/514219952.db2.gz ZLBFMJDXGNIQLX-CDJZJNNCSA-N 1 3 358.526 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423776918 514225960 /nfs/dbraw/zinc/22/59/60/514225960.db2.gz OGSALKUEZOPSLR-AAIMPIBUSA-N 1 3 363.505 2.554 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417219869 514241081 /nfs/dbraw/zinc/24/10/81/514241081.db2.gz WZYHBAPXIOHZEF-DFQSSKMNSA-N 1 3 358.530 2.886 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(F)cc3F)CCCC2)C1 ZINC000414716954 514254731 /nfs/dbraw/zinc/25/47/31/514254731.db2.gz YMNUTHLIZBPQCS-CQSZACIVSA-N 1 3 351.441 2.521 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000423857907 514266559 /nfs/dbraw/zinc/26/65/59/514266559.db2.gz ZHKIFVNSFXVCBX-IBGZPJMESA-N 1 3 356.514 2.545 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C[NH3+])CC(C)C)c(C)c2)CC1 ZINC000414750637 514272480 /nfs/dbraw/zinc/27/24/80/514272480.db2.gz MFXGVNRHKUOHBA-KRWDZBQOSA-N 1 3 361.534 2.632 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417294928 514280804 /nfs/dbraw/zinc/28/08/04/514280804.db2.gz JDYPAVSCUQNMJZ-HZPDHXFCSA-N 1 3 372.435 2.749 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCC(C)CC1 ZINC000417316716 514291639 /nfs/dbraw/zinc/29/16/39/514291639.db2.gz URYKZJDOCVATDT-WMZOPIPTSA-N 1 3 350.551 2.526 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000420793154 514302468 /nfs/dbraw/zinc/30/24/68/514302468.db2.gz QIJIGNMBEQADQW-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000420793154 514302475 /nfs/dbraw/zinc/30/24/75/514302475.db2.gz QIJIGNMBEQADQW-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417389273 514327512 /nfs/dbraw/zinc/32/75/12/514327512.db2.gz XDXRCCXANHSUDP-INIZCTEOSA-N 1 3 352.548 2.777 20 0 FFADHO FC(F)(F)c1cc(CNCCN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000414867066 514331856 /nfs/dbraw/zinc/33/18/56/514331856.db2.gz NYUUIQLLFOSTPD-UHFFFAOYSA-N 1 3 355.326 2.719 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427917683 514346104 /nfs/dbraw/zinc/34/61/04/514346104.db2.gz ZITISSSCCWERKS-JYRKZWEQSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427917683 514346111 /nfs/dbraw/zinc/34/61/11/514346111.db2.gz ZITISSSCCWERKS-JYRKZWEQSA-N 1 3 355.526 2.840 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000438358470 514364065 /nfs/dbraw/zinc/36/40/65/514364065.db2.gz NKDMNPQQZKNKFR-NRFANRHFSA-N 1 3 353.510 2.522 20 0 FFADHO N[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000417507604 514387011 /nfs/dbraw/zinc/38/70/11/514387011.db2.gz RYRKYYWEYKDEGP-CTNGQTDRSA-N 1 3 366.509 2.550 20 0 FFADHO N[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000417507604 514387015 /nfs/dbraw/zinc/38/70/15/514387015.db2.gz RYRKYYWEYKDEGP-CTNGQTDRSA-N 1 3 366.509 2.550 20 0 FFADHO CCCN1CCN(c2ccccc2CN[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415048003 514416405 /nfs/dbraw/zinc/41/64/05/514416405.db2.gz BMKBEJWPMBQKMY-KRWDZBQOSA-N 1 3 358.452 2.588 20 0 FFADHO C[C@@H](CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000424218124 514419807 /nfs/dbraw/zinc/41/98/07/514419807.db2.gz QSYSZAABANFEGZ-FYZZASKESA-N 1 3 355.526 2.745 20 0 FFADHO C[C@H]1NCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]1C ZINC000417581281 514420401 /nfs/dbraw/zinc/42/04/01/514420401.db2.gz FXLRYRWHYSFGFR-SALMWKFDSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1NCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1C ZINC000417581281 514420410 /nfs/dbraw/zinc/42/04/10/514420410.db2.gz FXLRYRWHYSFGFR-SALMWKFDSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)C1CCN(Cc3ccccc3)CC1)CC[NH2+]CC2 ZINC000424237774 514426950 /nfs/dbraw/zinc/42/69/50/514426950.db2.gz MKGPNEGMBUKBNG-GOSISDBHSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)N(C)Cc1ccccc1 ZINC000417596284 514430638 /nfs/dbraw/zinc/43/06/38/514430638.db2.gz ZMZZJAXGMSZBPK-GOSISDBHSA-N 1 3 354.498 2.677 20 0 FFADHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000438797892 514443579 /nfs/dbraw/zinc/44/35/79/514443579.db2.gz VQWFIQJPPUKBIR-IBGZPJMESA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)NCCCSc1ccccc1)CC[NH2+]CC2 ZINC000424284622 514447553 /nfs/dbraw/zinc/44/75/53/514447553.db2.gz DJIOBDZEBDIMDG-KRWDZBQOSA-N 1 3 361.555 2.749 20 0 FFADHO CCOc1ccc(CN(C)C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424290458 514448827 /nfs/dbraw/zinc/44/88/27/514448827.db2.gz MOVCVQQGFKYKEY-QGZVFWFLSA-N 1 3 359.514 2.508 20 0 FFADHO CC1CC[NH+](CCC[C@H](NC[C@@H](O)CN(C)C)c2ccc(F)cc2)CC1 ZINC000438840535 514451897 /nfs/dbraw/zinc/45/18/97/514451897.db2.gz XTRYXFPEVVORDZ-RTWAWAEBSA-N 1 3 365.537 2.891 20 0 FFADHO FC(F)(F)c1ccnc(NCCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415125723 514455317 /nfs/dbraw/zinc/45/53/17/514455317.db2.gz SXGJNJVGCAOKGN-CABCVRRESA-N 1 3 365.403 2.990 20 0 FFADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000424321034 514456280 /nfs/dbraw/zinc/45/62/80/514456280.db2.gz IGNNISZZRDUJAL-DOIPELPJSA-N 1 3 355.526 2.745 20 0 FFADHO CSc1ccccc1OC[C@H](O)CN(C[C@H]1CCC[NH2+]C1)C(C)C ZINC000415128167 514457522 /nfs/dbraw/zinc/45/75/22/514457522.db2.gz SMLVOSDDTHOQIY-DLBZAZTESA-N 1 3 352.544 2.858 20 0 FFADHO CSc1ccccc1OC[C@H](O)C[N@H+](C[C@H]1CCCNC1)C(C)C ZINC000415128167 514457528 /nfs/dbraw/zinc/45/75/28/514457528.db2.gz SMLVOSDDTHOQIY-DLBZAZTESA-N 1 3 352.544 2.858 20 0 FFADHO CSc1ccccc1OC[C@H](O)C[N@@H+](C[C@H]1CCCNC1)C(C)C ZINC000415128167 514457535 /nfs/dbraw/zinc/45/75/35/514457535.db2.gz SMLVOSDDTHOQIY-DLBZAZTESA-N 1 3 352.544 2.858 20 0 FFADHO CCCn1nc(C)c(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1C ZINC000415134233 514459881 /nfs/dbraw/zinc/45/98/81/514459881.db2.gz OGDNUJVNHMMTAH-UHFFFAOYSA-N 1 3 369.557 2.993 20 0 FFADHO Cc1ccc(-c2ncc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)s2)o1 ZINC000415143237 514467132 /nfs/dbraw/zinc/46/71/32/514467132.db2.gz SIIQQFIIZHXHGH-CVEARBPZSA-N 1 3 359.495 2.912 20 0 FFADHO CCCCN1CCCC[C@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000439143905 514500236 /nfs/dbraw/zinc/50/02/36/514500236.db2.gz TVKUSKITFSIAOT-OALUTQOASA-N 1 3 353.551 2.550 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccncn1 ZINC000453059511 514531784 /nfs/dbraw/zinc/53/17/84/514531784.db2.gz IUXARVJBDBIDFE-LJQANCHMSA-N 1 3 353.514 2.725 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466011681 514538507 /nfs/dbraw/zinc/53/85/07/514538507.db2.gz CIRFWYMOOXTBHA-PMACEKPBSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466011681 514538516 /nfs/dbraw/zinc/53/85/16/514538516.db2.gz CIRFWYMOOXTBHA-PMACEKPBSA-N 1 3 370.541 2.777 20 0 FFADHO OC1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453081142 514538690 /nfs/dbraw/zinc/53/86/90/514538690.db2.gz FHQKVGLKJSWADY-DNVJHFABSA-N 1 3 371.569 2.866 20 0 FFADHO O[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)COCC1CC1 ZINC000453089805 514541552 /nfs/dbraw/zinc/54/15/52/514541552.db2.gz OZWRPTZNLZNFDQ-MBDNFAEBSA-N 1 3 358.526 2.807 20 0 FFADHO O[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)COCC1CC1 ZINC000453089805 514541559 /nfs/dbraw/zinc/54/15/59/514541559.db2.gz OZWRPTZNLZNFDQ-MBDNFAEBSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466035696 514544836 /nfs/dbraw/zinc/54/48/36/514544836.db2.gz NSQYKWSBQQPCRX-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466035696 514544844 /nfs/dbraw/zinc/54/48/44/514544844.db2.gz NSQYKWSBQQPCRX-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@@H+]1C ZINC000466054812 514550824 /nfs/dbraw/zinc/55/08/24/514550824.db2.gz XUTIJXUHFDGZJR-WMLDXEAASA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@H+]1C ZINC000466054812 514550827 /nfs/dbraw/zinc/55/08/27/514550827.db2.gz XUTIJXUHFDGZJR-WMLDXEAASA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000475135988 514567910 /nfs/dbraw/zinc/56/79/10/514567910.db2.gz HJJVUKJPEMGHRX-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475140772 514571122 /nfs/dbraw/zinc/57/11/22/514571122.db2.gz STCGJUAFJMPMLZ-XUVXKRRUSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475140772 514571129 /nfs/dbraw/zinc/57/11/29/514571129.db2.gz STCGJUAFJMPMLZ-XUVXKRRUSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475142273 514571187 /nfs/dbraw/zinc/57/11/87/514571187.db2.gz BHKPLWRYHRSNHF-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466238713 514586061 /nfs/dbraw/zinc/58/60/61/514586061.db2.gz RNTRPVLJBAKEIL-UIBIWLFHSA-N 1 3 350.551 2.525 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466238713 514586065 /nfs/dbraw/zinc/58/60/65/514586065.db2.gz RNTRPVLJBAKEIL-UIBIWLFHSA-N 1 3 350.551 2.525 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000497743461 514620976 /nfs/dbraw/zinc/62/09/76/514620976.db2.gz JBIBYGUZGBDIJW-QUCCMNQESA-N 1 3 374.573 2.648 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466432455 514645540 /nfs/dbraw/zinc/64/55/40/514645540.db2.gz XGXCUGPNVYMTAV-OXJNMPFZSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000466440921 514646604 /nfs/dbraw/zinc/64/66/04/514646604.db2.gz KHWQEOQJTIKJLK-UWJYYQICSA-N 1 3 370.541 2.954 20 0 FFADHO CCCN(CCN(C)C)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000502440367 514652126 /nfs/dbraw/zinc/65/21/26/514652126.db2.gz KHJLQYUZBGOFJL-UHFFFAOYSA-N 1 3 371.529 2.526 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000484446345 514656319 /nfs/dbraw/zinc/65/63/19/514656319.db2.gz YQYREBRPHKFTBM-APWZRJJASA-N 1 3 364.509 2.850 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000470892422 514660522 /nfs/dbraw/zinc/66/05/22/514660522.db2.gz MGBKZHBPQCKODG-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000470892422 514660534 /nfs/dbraw/zinc/66/05/34/514660534.db2.gz MGBKZHBPQCKODG-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484732601 514772957 /nfs/dbraw/zinc/77/29/57/514772957.db2.gz DNMUFCJKAGMISH-SXLOBPIMSA-N 1 3 358.530 2.996 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484732601 514772966 /nfs/dbraw/zinc/77/29/66/514772966.db2.gz DNMUFCJKAGMISH-SXLOBPIMSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)[NH+](CCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)C(C)C ZINC000489262991 514774151 /nfs/dbraw/zinc/77/41/51/514774151.db2.gz VSHZAHZAHIECHK-GBESFXJTSA-N 1 3 352.567 2.867 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])c(C)c2)CC1 ZINC000498195554 514797709 /nfs/dbraw/zinc/79/77/09/514797709.db2.gz LMOFPCHBSWTGIM-WIYYLYMNSA-N 1 3 358.530 2.983 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CC(F)F)C1 ZINC000498195525 514797809 /nfs/dbraw/zinc/79/78/09/514797809.db2.gz LBDUUWJZYQUSRG-JKIFEVAISA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CC(F)F)C1 ZINC000498195525 514797817 /nfs/dbraw/zinc/79/78/17/514797817.db2.gz LBDUUWJZYQUSRG-JKIFEVAISA-N 1 3 353.457 2.763 20 0 FFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000498207290 514805439 /nfs/dbraw/zinc/80/54/39/514805439.db2.gz WWWPXARZJQROPW-UNMCSNQZSA-N 1 3 372.557 2.613 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H](C)C1 ZINC000489352698 514810399 /nfs/dbraw/zinc/81/03/99/514810399.db2.gz BVABNHFYIXFNGV-XEYPJELSSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)C1 ZINC000489352698 514810411 /nfs/dbraw/zinc/81/04/11/514810411.db2.gz BVABNHFYIXFNGV-XEYPJELSSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H](C)C1 ZINC000489352697 514811375 /nfs/dbraw/zinc/81/13/75/514811375.db2.gz BVABNHFYIXFNGV-RAUXBKROSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)C1 ZINC000489352697 514811385 /nfs/dbraw/zinc/81/13/85/514811385.db2.gz BVABNHFYIXFNGV-RAUXBKROSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000466932779 514833725 /nfs/dbraw/zinc/83/37/25/514833725.db2.gz LZQMTEGCVDVNST-QWFCFKBJSA-N 1 3 362.562 2.767 20 0 FFADHO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455934827 514844960 /nfs/dbraw/zinc/84/49/60/514844960.db2.gz ALTNCYLZMVGXMX-UHFFFAOYSA-N 1 3 368.909 2.933 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000458544171 514886268 /nfs/dbraw/zinc/88/62/68/514886268.db2.gz FLJZFUDBBUVYEV-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000458544171 514886276 /nfs/dbraw/zinc/88/62/76/514886276.db2.gz FLJZFUDBBUVYEV-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)CCN(C)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000476056458 514900090 /nfs/dbraw/zinc/90/00/90/514900090.db2.gz RADWXWPCTSPWSQ-UHFFFAOYSA-N 1 3 374.573 2.924 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000471506687 514911033 /nfs/dbraw/zinc/91/10/33/514911033.db2.gz VRAWLAYWYKHQQV-HZPDHXFCSA-N 1 3 352.548 2.915 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2-c2ccnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000508880812 514934609 /nfs/dbraw/zinc/93/46/09/514934609.db2.gz XBGXLURHJNYPBE-WIYYLYMNSA-N 1 3 367.541 2.545 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000467208245 514939035 /nfs/dbraw/zinc/93/90/35/514939035.db2.gz RHRKPXBQRYJJCS-JXFKEZNVSA-N 1 3 359.514 2.620 20 0 FFADHO C[C@@H](CC[NH+]1CCN(C)CC1)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000471595037 514945799 /nfs/dbraw/zinc/94/57/99/514945799.db2.gz RZVAMXCUHWWFQT-RYUDHWBXSA-N 1 3 350.454 2.839 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000480522738 514987351 /nfs/dbraw/zinc/98/73/51/514987351.db2.gz GBACZYNEKQXJNR-MRXNPFEDSA-N 1 3 359.514 2.679 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471856297 515032909 /nfs/dbraw/zinc/03/29/09/515032909.db2.gz KWEPPFPJGAUPCW-HBMCJLEFSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471856297 515032919 /nfs/dbraw/zinc/03/29/19/515032919.db2.gz KWEPPFPJGAUPCW-HBMCJLEFSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000458835002 515128386 /nfs/dbraw/zinc/12/83/86/515128386.db2.gz AMPLQSAREYALHT-IBGZPJMESA-N 1 3 364.509 2.994 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@]3(C)CCCN3Cc3ccccc3)C2)C1 ZINC000490238018 515150552 /nfs/dbraw/zinc/15/05/52/515150552.db2.gz GQIHYYTYWPCXCF-FGZHOGPDSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@]3(C)CCCN3Cc3ccccc3)C2)C1 ZINC000490238018 515150563 /nfs/dbraw/zinc/15/05/63/515150563.db2.gz GQIHYYTYWPCXCF-FGZHOGPDSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CCN(C2CCC2)C1 ZINC000490253074 515157447 /nfs/dbraw/zinc/15/74/47/515157447.db2.gz RFZSMXUXMULBMF-QGZVFWFLSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458877137 515165105 /nfs/dbraw/zinc/16/51/05/515165105.db2.gz BBBBDIZKQIGXLX-SFHVURJKSA-N 1 3 364.559 2.748 20 0 FFADHO CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458877137 515165110 /nfs/dbraw/zinc/16/51/10/515165110.db2.gz BBBBDIZKQIGXLX-SFHVURJKSA-N 1 3 364.559 2.748 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@@H]1CCCCN1C1CC1 ZINC000472238903 515180399 /nfs/dbraw/zinc/18/03/99/515180399.db2.gz JUTBPBVOCDPREV-FPOVZHCZSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CCCCN1C1CC1 ZINC000472238903 515180409 /nfs/dbraw/zinc/18/04/09/515180409.db2.gz JUTBPBVOCDPREV-FPOVZHCZSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1CCCCN1C1CC1 ZINC000472238905 515181314 /nfs/dbraw/zinc/18/13/14/515181314.db2.gz JUTBPBVOCDPREV-TZIWHRDSSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CCCCN1C1CC1 ZINC000472238905 515181322 /nfs/dbraw/zinc/18/13/22/515181322.db2.gz JUTBPBVOCDPREV-TZIWHRDSSA-N 1 3 370.541 2.825 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccco1 ZINC000509582928 515243180 /nfs/dbraw/zinc/24/31/80/515243180.db2.gz IUTQHJVTNHWCCA-IAGOWNOFSA-N 1 3 350.507 2.836 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccco1 ZINC000509594557 515249308 /nfs/dbraw/zinc/24/93/08/515249308.db2.gz FNZMFRUPSWAHRO-HOTGVXAUSA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccco1 ZINC000509594770 515249695 /nfs/dbraw/zinc/24/96/95/515249695.db2.gz FNZMFRUPSWAHRO-JKSUJKDBSA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccco1 ZINC000509592926 515250208 /nfs/dbraw/zinc/25/02/08/515250208.db2.gz BRGGNHDJGOGJQH-RCCFBDPRSA-N 1 3 362.518 2.979 20 0 FFADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccco1 ZINC000509599135 515252214 /nfs/dbraw/zinc/25/22/14/515252214.db2.gz FVFIKCQEQIRXMI-FUHWJXTLSA-N 1 3 362.518 2.979 20 0 FFADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000463000390 515330026 /nfs/dbraw/zinc/33/00/26/515330026.db2.gz BBZLUSRBPWNCHW-UYAOXDASSA-N 1 3 360.546 2.925 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1cccs1 ZINC000499505046 515350233 /nfs/dbraw/zinc/35/02/33/515350233.db2.gz BBIXGZZQFXTYPT-KRWDZBQOSA-N 1 3 351.560 2.945 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1cccs1 ZINC000499505046 515350240 /nfs/dbraw/zinc/35/02/40/515350240.db2.gz BBIXGZZQFXTYPT-KRWDZBQOSA-N 1 3 351.560 2.945 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CN(C4CC4)C[C@H]3C)CC2)c1 ZINC000491009609 515356618 /nfs/dbraw/zinc/35/66/18/515356618.db2.gz QVUXXOLSRUSDAK-OFNKIYASSA-N 1 3 370.585 2.970 20 0 FFADHO CC(C)[C@@H](CSc1ccccc1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000491059152 515367281 /nfs/dbraw/zinc/36/72/81/515367281.db2.gz JPZNATYROIZZIG-PKOBYXMFSA-N 1 3 363.571 2.980 20 0 FFADHO CC(C)[C@@H](CSc1ccccc1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000491059152 515367287 /nfs/dbraw/zinc/36/72/87/515367287.db2.gz JPZNATYROIZZIG-PKOBYXMFSA-N 1 3 363.571 2.980 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000504889064 515403308 /nfs/dbraw/zinc/40/33/08/515403308.db2.gz MSURVGDBCSVWEW-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000504889064 515403317 /nfs/dbraw/zinc/40/33/17/515403317.db2.gz MSURVGDBCSVWEW-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000504889064 515403324 /nfs/dbraw/zinc/40/33/24/515403324.db2.gz MSURVGDBCSVWEW-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1(O)CCN(C)CC1 ZINC000468555962 515412505 /nfs/dbraw/zinc/41/25/05/515412505.db2.gz TZTVKOUDLOMZNO-LBPRGKRZSA-N 1 3 359.283 2.566 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1(O)CCN(C)CC1 ZINC000468555961 515412643 /nfs/dbraw/zinc/41/26/43/515412643.db2.gz TZTVKOUDLOMZNO-GFCCVEGCSA-N 1 3 359.283 2.566 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459247299 515420809 /nfs/dbraw/zinc/42/08/09/515420809.db2.gz CHGYEJFEQRRWGR-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459247299 515420819 /nfs/dbraw/zinc/42/08/19/515420819.db2.gz CHGYEJFEQRRWGR-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000463264712 515422853 /nfs/dbraw/zinc/42/28/53/515422853.db2.gz GSMXBSZFBDWBDF-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000468711778 515481492 /nfs/dbraw/zinc/48/14/92/515481492.db2.gz REVHTGXUCYTOOE-ROUUACIJSA-N 1 3 355.526 2.909 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000468711778 515481498 /nfs/dbraw/zinc/48/14/98/515481498.db2.gz REVHTGXUCYTOOE-ROUUACIJSA-N 1 3 355.526 2.909 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000454465264 515508695 /nfs/dbraw/zinc/50/86/95/515508695.db2.gz WOHNBFSHNTXCET-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000454465264 515508707 /nfs/dbraw/zinc/50/87/07/515508707.db2.gz WOHNBFSHNTXCET-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000459396815 515525224 /nfs/dbraw/zinc/52/52/24/515525224.db2.gz DBKKSPODIRYHSY-UHFFFAOYSA-N 1 3 359.901 2.964 20 0 FFADHO C[C@]1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCCN1 ZINC000510429078 515538108 /nfs/dbraw/zinc/53/81/08/515538108.db2.gz UNQOQTJIKWQNQY-OAQYLSRUSA-N 1 3 372.513 2.972 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)Cc1ccccc1 ZINC000510554903 515585345 /nfs/dbraw/zinc/58/53/45/515585345.db2.gz ULQVBXUEDDWHSF-GHTZIAJQSA-N 1 3 372.557 2.889 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCCCCC1 ZINC000510575477 515592203 /nfs/dbraw/zinc/59/22/03/515592203.db2.gz UAZFOKDYPPMADA-PKOBYXMFSA-N 1 3 350.551 2.837 20 0 FFADHO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000473421978 515612935 /nfs/dbraw/zinc/61/29/35/515612935.db2.gz SQYXESRHKGZOFT-ZACQAIPSSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000473421975 515613686 /nfs/dbraw/zinc/61/36/86/515613686.db2.gz SQYXESRHKGZOFT-BRWVUGGUSA-N 1 3 350.551 2.621 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)[C@@H](C)C1 ZINC000477850752 515614974 /nfs/dbraw/zinc/61/49/74/515614974.db2.gz CORRFUAERNZMDL-NSHGMRRFSA-N 1 3 359.514 2.519 20 0 FFADHO Cn1c2ccc(CNCc3ccc(OCCC[NH+](C)C)cc3)cc2oc1=O ZINC000510666324 515629613 /nfs/dbraw/zinc/62/96/13/515629613.db2.gz MSMAWONYMVMOGQ-UHFFFAOYSA-N 1 3 369.465 2.752 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000505691128 515633235 /nfs/dbraw/zinc/63/32/35/515633235.db2.gz BELHPSXCCXULRX-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000505691128 515633243 /nfs/dbraw/zinc/63/32/43/515633243.db2.gz BELHPSXCCXULRX-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000469036895 515639813 /nfs/dbraw/zinc/63/98/13/515639813.db2.gz QNMACYLMDSMBTQ-GOSISDBHSA-N 1 3 360.502 2.698 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505726102 515645135 /nfs/dbraw/zinc/64/51/35/515645135.db2.gz PCSCIZAGBLWRQE-SLFFLAALSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505726102 515645142 /nfs/dbraw/zinc/64/51/42/515645142.db2.gz PCSCIZAGBLWRQE-SLFFLAALSA-N 1 3 356.514 2.750 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(C)cc1C ZINC000505766977 515663042 /nfs/dbraw/zinc/66/30/42/515663042.db2.gz RISHGGNIYJSGEZ-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(C)cc1C ZINC000505766977 515663053 /nfs/dbraw/zinc/66/30/53/515663053.db2.gz RISHGGNIYJSGEZ-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000505825234 515686224 /nfs/dbraw/zinc/68/62/24/515686224.db2.gz OIMYBXSDJSYBMF-FXAWDEMLSA-N 1 3 363.521 2.879 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000505825234 515686234 /nfs/dbraw/zinc/68/62/34/515686234.db2.gz OIMYBXSDJSYBMF-FXAWDEMLSA-N 1 3 363.521 2.879 20 0 FFADHO Cc1cc(Br)cc2c1[C@H]([NH2+]CC1(O)CCN(C)CC1)CC2 ZINC000493917746 515686437 /nfs/dbraw/zinc/68/64/37/515686437.db2.gz UOPONBHRKQZURA-OAHLLOKOSA-N 1 3 353.304 2.791 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Br)cs1 ZINC000493974420 515702535 /nfs/dbraw/zinc/70/25/35/515702535.db2.gz BFSPJWTYZRPMIM-VXGBXAGGSA-N 1 3 374.348 2.749 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000482636060 515745803 /nfs/dbraw/zinc/74/58/03/515745803.db2.gz LOFCEZVALHKBQJ-QUCCMNQESA-N 1 3 360.546 2.723 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478413775 515814069 /nfs/dbraw/zinc/81/40/69/515814069.db2.gz DVTMPBYRUJHWKE-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000511291585 515853907 /nfs/dbraw/zinc/85/39/07/515853907.db2.gz VLHPHEMBQDVUBP-NEWSRXKRSA-N 1 3 350.551 2.837 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000500832089 515874949 /nfs/dbraw/zinc/87/49/49/515874949.db2.gz LBQJJLHKCPRRBG-UYAOXDASSA-N 1 3 371.529 2.566 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000500832089 515874961 /nfs/dbraw/zinc/87/49/61/515874961.db2.gz LBQJJLHKCPRRBG-UYAOXDASSA-N 1 3 371.529 2.566 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H](C)C1 ZINC000487516138 515887092 /nfs/dbraw/zinc/88/70/92/515887092.db2.gz FQAKDQMZXKNICJ-UXLLHSPISA-N 1 3 350.551 2.667 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)N(C)C)cc1 ZINC000457476035 515899736 /nfs/dbraw/zinc/89/97/36/515899736.db2.gz KDDGBWQVHHPIIT-IFMALSPDSA-N 1 3 372.557 2.979 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)N(C)C)cc1 ZINC000457476035 515899749 /nfs/dbraw/zinc/89/97/49/515899749.db2.gz KDDGBWQVHHPIIT-IFMALSPDSA-N 1 3 372.557 2.979 20 0 FFADHO O=C(CC[C@@H]1CCC[NH2+]1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000494699310 515930866 /nfs/dbraw/zinc/93/08/66/515930866.db2.gz NKSQKADMRMDKGH-FQEVSTJZSA-N 1 3 373.541 2.706 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000501038741 515946591 /nfs/dbraw/zinc/94/65/91/515946591.db2.gz SHXNWLHNAMOCQC-HXUWFJFHSA-N 1 3 369.557 2.998 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)[C@@H](C)C1 ZINC000469790468 515967334 /nfs/dbraw/zinc/96/73/34/515967334.db2.gz KACHOZPOXDAFEJ-GBESFXJTSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000457567714 515979873 /nfs/dbraw/zinc/97/98/73/515979873.db2.gz CYJCHTFOEVNTQM-UHFFFAOYSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000469897933 516020577 /nfs/dbraw/zinc/02/05/77/516020577.db2.gz BOAKEHGUQDTYMF-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H](CNC(=O)NCCC[NH+](CC)CC)N1CCc2ccccc2C1 ZINC000501358726 516074619 /nfs/dbraw/zinc/07/46/19/516074619.db2.gz KRXDPJPAVKVWHL-FQEVSTJZSA-N 1 3 360.546 2.854 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)C2)C1 ZINC000457708665 516086305 /nfs/dbraw/zinc/08/63/05/516086305.db2.gz YZKPTLOGFXWNRW-HXUWFJFHSA-N 1 3 350.551 2.768 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)C2)C1 ZINC000457708665 516086315 /nfs/dbraw/zinc/08/63/15/516086315.db2.gz YZKPTLOGFXWNRW-HXUWFJFHSA-N 1 3 350.551 2.768 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1 ZINC000479183579 516093103 /nfs/dbraw/zinc/09/31/03/516093103.db2.gz GZVSSRFTTXXOEC-UXHICEINSA-N 1 3 355.457 2.821 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000479201468 516105447 /nfs/dbraw/zinc/10/54/47/516105447.db2.gz GSASEVSILBUYIU-HXUWFJFHSA-N 1 3 373.472 2.515 20 0 FFADHO NC[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000479202060 516106126 /nfs/dbraw/zinc/10/61/26/516106126.db2.gz ACMVRLHNPXLSPI-HXUWFJFHSA-N 1 3 361.505 2.983 20 0 FFADHO NC[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000479202060 516106131 /nfs/dbraw/zinc/10/61/31/516106131.db2.gz ACMVRLHNPXLSPI-HXUWFJFHSA-N 1 3 361.505 2.983 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000512025691 516122438 /nfs/dbraw/zinc/12/24/38/516122438.db2.gz QCONLVJAZVNMOD-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000512025691 516122444 /nfs/dbraw/zinc/12/24/44/516122444.db2.gz QCONLVJAZVNMOD-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]C2CCN(C3CCN(C)CC3)CC2)CC1 ZINC000474621736 516126223 /nfs/dbraw/zinc/12/62/23/516126223.db2.gz LHCQDNNZMAFUKN-UHFFFAOYSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC[C@H](C)C1 ZINC000501506769 516131057 /nfs/dbraw/zinc/13/10/57/516131057.db2.gz UKXQFBQWAFYTDG-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000501534259 516145346 /nfs/dbraw/zinc/14/53/46/516145346.db2.gz LGMQVKQQMMFDFX-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000501534259 516145359 /nfs/dbraw/zinc/14/53/59/516145359.db2.gz LGMQVKQQMMFDFX-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO COC(=O)[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000470156317 516148511 /nfs/dbraw/zinc/14/85/11/516148511.db2.gz MPKYPZQKXXMWIS-APWZRJJASA-N 1 3 359.514 2.600 20 0 FFADHO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)[C@@H]1C ZINC000470156317 516148521 /nfs/dbraw/zinc/14/85/21/516148521.db2.gz MPKYPZQKXXMWIS-APWZRJJASA-N 1 3 359.514 2.600 20 0 FFADHO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)[C@@H]1C ZINC000470156317 516148525 /nfs/dbraw/zinc/14/85/25/516148525.db2.gz MPKYPZQKXXMWIS-APWZRJJASA-N 1 3 359.514 2.600 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000501547608 516149441 /nfs/dbraw/zinc/14/94/41/516149441.db2.gz BLUGVPPJNOCJKK-WSTZPKSXSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000501547608 516149450 /nfs/dbraw/zinc/14/94/50/516149450.db2.gz BLUGVPPJNOCJKK-WSTZPKSXSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1C ZINC000465438767 516153875 /nfs/dbraw/zinc/15/38/75/516153875.db2.gz KPFDWVJYXSPFHW-MSOLQXFVSA-N 1 3 350.551 2.957 20 0 FFADHO CN(C)C1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)Cc2ccccc2C1 ZINC000465438779 516154444 /nfs/dbraw/zinc/15/44/44/516154444.db2.gz FKOHCWMVLMDZRN-UHFFFAOYSA-N 1 3 372.557 2.694 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000465444285 516155285 /nfs/dbraw/zinc/15/52/85/516155285.db2.gz DSLDJQRCBZWNQC-SFHVURJKSA-N 1 3 350.551 2.959 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000460472535 516161321 /nfs/dbraw/zinc/16/13/21/516161321.db2.gz XMLGUVDTYHUKSI-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO CCOc1cc2[nH+]ccc(NCCN3CCSCC3)c2cc1OCC ZINC000488260539 516179300 /nfs/dbraw/zinc/17/93/00/516179300.db2.gz UYBSRBPSVVDGNH-UHFFFAOYSA-N 1 3 361.511 2.915 20 0 FFADHO Cc1cc2[nH]c(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc2c(C)c1 ZINC000479416660 516186866 /nfs/dbraw/zinc/18/68/66/516186866.db2.gz FKMSMRXEIUAVPO-FQEVSTJZSA-N 1 3 358.530 2.967 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483767057 516205779 /nfs/dbraw/zinc/20/57/79/516205779.db2.gz CCHALNDPOFTALI-IAGOWNOFSA-N 1 3 350.551 2.956 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN(C2CCC2)C1 ZINC000488368963 516206945 /nfs/dbraw/zinc/20/69/45/516206945.db2.gz QCEQFXITEJNTGF-INIZCTEOSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1ccncc1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000474870878 516219556 /nfs/dbraw/zinc/21/95/56/516219556.db2.gz DJGPFFQSSUJXRA-UHFFFAOYSA-N 1 3 352.482 2.505 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000457920455 516231584 /nfs/dbraw/zinc/23/15/84/516231584.db2.gz FCNYYGZTCBLYNV-KSZLIROESA-N 1 3 352.567 2.867 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000457920455 516231592 /nfs/dbraw/zinc/23/15/92/516231592.db2.gz FCNYYGZTCBLYNV-KSZLIROESA-N 1 3 352.567 2.867 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000465719183 516239853 /nfs/dbraw/zinc/23/98/53/516239853.db2.gz ILQFIYYJFHQDMK-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)N2CCCC2)cc1 ZINC000488519255 516248365 /nfs/dbraw/zinc/24/83/65/516248365.db2.gz UPKDIKOMRBKYMC-RBBKRZOGSA-N 1 3 370.541 2.869 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)N2CCCC2)cc1 ZINC000488519255 516248372 /nfs/dbraw/zinc/24/83/72/516248372.db2.gz UPKDIKOMRBKYMC-RBBKRZOGSA-N 1 3 370.541 2.869 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000488681291 516286258 /nfs/dbraw/zinc/28/62/58/516286258.db2.gz UGGNOJPOFORZOB-YQVWRLOYSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)([NH+](C)C)C1 ZINC000522881116 516341276 /nfs/dbraw/zinc/34/12/76/516341276.db2.gz LGIWZRGUCHIWFW-KAGYGMCKSA-N 1 3 372.557 2.920 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522924939 516352502 /nfs/dbraw/zinc/35/25/02/516352502.db2.gz VOCDTBWVNYRXAG-NRFANRHFSA-N 1 3 366.509 2.672 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC000554284713 516362260 /nfs/dbraw/zinc/36/22/60/516362260.db2.gz ZOVLWGWPLMIZGH-SFTDATJTSA-N 1 3 361.574 2.889 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)CC1 ZINC000554284713 516362270 /nfs/dbraw/zinc/36/22/70/516362270.db2.gz ZOVLWGWPLMIZGH-SFTDATJTSA-N 1 3 361.574 2.889 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)s1 ZINC000517631747 516389424 /nfs/dbraw/zinc/38/94/24/516389424.db2.gz RKPPCCDCYVFPBG-KRWDZBQOSA-N 1 3 351.560 2.864 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)s1 ZINC000517631747 516389431 /nfs/dbraw/zinc/38/94/31/516389431.db2.gz RKPPCCDCYVFPBG-KRWDZBQOSA-N 1 3 351.560 2.864 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000561151812 516412388 /nfs/dbraw/zinc/41/23/88/516412388.db2.gz WZTVPIDUOWPIFO-HZPDHXFCSA-N 1 3 364.559 2.729 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513077303 516463000 /nfs/dbraw/zinc/46/30/00/516463000.db2.gz QLEUADWYGBSLAQ-CEMLEFRQSA-N 1 3 359.558 2.722 20 0 FFADHO CCCN(CC[NH+]1CCCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000561261669 516485229 /nfs/dbraw/zinc/48/52/29/516485229.db2.gz AKXGZANCSKNNKL-UHFFFAOYSA-N 1 3 365.562 2.746 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000540479975 516575840 /nfs/dbraw/zinc/57/58/40/516575840.db2.gz COPPFIQRZRLKAW-RTBURBONSA-N 1 3 373.541 2.693 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1COc2ccccc2C1 ZINC000551163685 516586785 /nfs/dbraw/zinc/58/67/85/516586785.db2.gz GNVXLLDBLLGPGC-RTWAWAEBSA-N 1 3 352.478 2.737 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1COc2ccccc2C1 ZINC000551163685 516586795 /nfs/dbraw/zinc/58/67/95/516586795.db2.gz GNVXLLDBLLGPGC-RTWAWAEBSA-N 1 3 352.478 2.737 20 0 FFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000531682976 516596290 /nfs/dbraw/zinc/59/62/90/516596290.db2.gz LQDIOXNNOZBHHC-LJQANCHMSA-N 1 3 374.573 2.561 20 0 FFADHO c1ccc(CCN2CC[C@H](C[NH2+]C3CCN(c4cnccn4)CC3)C2)cc1 ZINC000531705065 516602345 /nfs/dbraw/zinc/60/23/45/516602345.db2.gz ZEVXEUWRBJMIPR-HXUWFJFHSA-N 1 3 365.525 2.600 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000554737599 516610971 /nfs/dbraw/zinc/61/09/71/516610971.db2.gz UENOARQQDOZHFW-WOJBJXKFSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000554737599 516610977 /nfs/dbraw/zinc/61/09/77/516610977.db2.gz UENOARQQDOZHFW-WOJBJXKFSA-N 1 3 372.557 2.928 20 0 FFADHO CC[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)N1CCc2ccccc2C1 ZINC000561486339 516611174 /nfs/dbraw/zinc/61/11/74/516611174.db2.gz LNQGBWABPOJVOQ-NRFANRHFSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H]1CCC[C@@](CNC(=O)N2CCN(C3CCCC3)CC2)([NH+](C)C)C1 ZINC000518364947 516629307 /nfs/dbraw/zinc/62/93/07/516629307.db2.gz YKHHVMCMXULGRE-FXAWDEMLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)OCCNC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528711588 516638350 /nfs/dbraw/zinc/63/83/50/516638350.db2.gz BYDNSJDEOHCPPN-RDJZCZTQSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)OCCNC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528711588 516638355 /nfs/dbraw/zinc/63/83/55/516638355.db2.gz BYDNSJDEOHCPPN-RDJZCZTQSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@H]([NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554862136 516669128 /nfs/dbraw/zinc/66/91/28/516669128.db2.gz CTOZIKIMHKXBAP-CDXJDZJCSA-N 1 3 362.514 2.579 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000554883121 516679491 /nfs/dbraw/zinc/67/94/91/516679491.db2.gz WNNDXCBDDRAQKI-AEFFLSMTSA-N 1 3 366.575 2.843 20 0 FFADHO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000528762521 516679751 /nfs/dbraw/zinc/67/97/51/516679751.db2.gz LVPRGZGIHKHQSC-CURYNPBISA-N 1 3 373.541 2.557 20 0 FFADHO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n(C2CCN(C)CC2)n1 ZINC000558387163 516716451 /nfs/dbraw/zinc/71/64/51/516716451.db2.gz OZDOXWVQVKEGER-SJLPKXTDSA-N 1 3 374.533 2.549 20 0 FFADHO CC(C)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)c(F)c1 ZINC000540986285 516816241 /nfs/dbraw/zinc/81/62/41/516816241.db2.gz DMBQPYYQFFYHIZ-YJBOKZPZSA-N 1 3 353.457 2.839 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000514022742 516835162 /nfs/dbraw/zinc/83/51/62/516835162.db2.gz PVTXIZPWEQFRQH-AZUAARDMSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1CCCC[C@@H]1C ZINC000514087661 516857308 /nfs/dbraw/zinc/85/73/08/516857308.db2.gz IDWWTQALGSUVIY-IRXDYDNUSA-N 1 3 357.498 2.915 20 0 FFADHO O=C1CC[C@@H](NCc2cc(Cl)cc3cccnc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000519350980 516969288 /nfs/dbraw/zinc/96/92/88/516969288.db2.gz ZAGJGDFDCGXROV-XLIONFOSSA-N 1 3 372.900 2.625 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000558887718 516987819 /nfs/dbraw/zinc/98/78/19/516987819.db2.gz DEZAWWLAHCVVCO-XOKHGSTOSA-N 1 3 352.910 2.725 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000558887718 516987828 /nfs/dbraw/zinc/98/78/28/516987828.db2.gz DEZAWWLAHCVVCO-XOKHGSTOSA-N 1 3 352.910 2.725 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532532514 517021760 /nfs/dbraw/zinc/02/17/60/517021760.db2.gz VQCNBZFLSDZMQE-KGLIPLIRSA-N 1 3 353.894 2.997 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532532514 517021764 /nfs/dbraw/zinc/02/17/64/517021764.db2.gz VQCNBZFLSDZMQE-KGLIPLIRSA-N 1 3 353.894 2.997 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000514737757 517031441 /nfs/dbraw/zinc/03/14/41/517031441.db2.gz XGTQHBINDIUKRJ-YSVLISHTSA-N 1 3 369.431 2.913 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000552033272 517040795 /nfs/dbraw/zinc/04/07/95/517040795.db2.gz VEKRELJXCKLVIS-OAHLLOKOSA-N 1 3 353.532 2.603 20 0 FFADHO CCCN(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000525477682 517054408 /nfs/dbraw/zinc/05/44/08/517054408.db2.gz DSJNKPIOIOIIGA-UHFFFAOYSA-N 1 3 359.436 2.937 20 0 FFADHO C[C@H](Cc1ccc(Cl)cc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552064684 517059841 /nfs/dbraw/zinc/05/98/41/517059841.db2.gz HZWMJFNFHIFWJA-MRXNPFEDSA-N 1 3 351.922 2.853 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529311606 517070392 /nfs/dbraw/zinc/07/03/92/517070392.db2.gz WXOMRLCPCHIEHI-QFBILLFUSA-N 1 3 356.514 2.796 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC(COC)CC3)CC2)CC1 ZINC000514872748 517103113 /nfs/dbraw/zinc/10/31/13/517103113.db2.gz SPNCCRNLVVTUHH-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@@H](C(C)C)N2CCC(C)CC2)CC1 ZINC000545205776 517104094 /nfs/dbraw/zinc/10/40/94/517104094.db2.gz BIOPADDKGISGRA-FQEVSTJZSA-N 1 3 367.578 2.750 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)C2)cc(OC)c1 ZINC000552248405 517161414 /nfs/dbraw/zinc/16/14/14/517161414.db2.gz GFNCWXYRRUEDSM-GUGJDKNPSA-N 1 3 373.541 2.741 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)C2)cc(OC)c1 ZINC000552248405 517161425 /nfs/dbraw/zinc/16/14/25/517161425.db2.gz GFNCWXYRRUEDSM-GUGJDKNPSA-N 1 3 373.541 2.741 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000515063891 517196163 /nfs/dbraw/zinc/19/61/63/517196163.db2.gz GMYAQICVERNYTB-GRERDSQWSA-N 1 3 358.530 2.823 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000537466390 517196708 /nfs/dbraw/zinc/19/67/08/517196708.db2.gz BNAFSFNEQIIGCM-UHFFFAOYSA-N 1 3 358.530 2.562 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000519837788 517212611 /nfs/dbraw/zinc/21/26/11/517212611.db2.gz CAQQQVQFZXBIHI-HBFSDRIKSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000525883950 517217256 /nfs/dbraw/zinc/21/72/56/517217256.db2.gz ASUZIDSXIDJWOL-UHFFFAOYSA-N 1 3 362.518 2.873 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000562639101 517260623 /nfs/dbraw/zinc/26/06/23/517260623.db2.gz DYIKUSGJMUULGZ-CYBMUJFWSA-N 1 3 351.878 2.703 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000562639101 517260629 /nfs/dbraw/zinc/26/06/29/517260629.db2.gz DYIKUSGJMUULGZ-CYBMUJFWSA-N 1 3 351.878 2.703 20 0 FFADHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000556118269 517275471 /nfs/dbraw/zinc/27/54/71/517275471.db2.gz AMNNARMVQXNRTC-LNRXMEIDSA-N 1 3 357.542 2.789 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556128197 517280257 /nfs/dbraw/zinc/28/02/57/517280257.db2.gz ADEJDNDQWDULHO-BFHYXJOUSA-N 1 3 351.457 2.742 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000545858521 517395737 /nfs/dbraw/zinc/39/57/37/517395737.db2.gz BCQMFUVKBQLFHH-AZUAARDMSA-N 1 3 356.514 2.601 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000545858521 517395747 /nfs/dbraw/zinc/39/57/47/517395747.db2.gz BCQMFUVKBQLFHH-AZUAARDMSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000542137518 517401311 /nfs/dbraw/zinc/40/13/11/517401311.db2.gz QHBSXGJDRUAKOR-CVEARBPZSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000542137518 517401318 /nfs/dbraw/zinc/40/13/18/517401318.db2.gz QHBSXGJDRUAKOR-CVEARBPZSA-N 1 3 372.513 2.684 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000559741298 517403968 /nfs/dbraw/zinc/40/39/68/517403968.db2.gz TZLFYFULUVPZOW-QFIPXVFZSA-N 1 3 365.521 2.917 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000515580711 517411967 /nfs/dbraw/zinc/41/19/67/517411967.db2.gz DMYJLFNBYLGSOD-RXVVDRJESA-N 1 3 371.525 2.846 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000515580711 517411974 /nfs/dbraw/zinc/41/19/74/517411974.db2.gz DMYJLFNBYLGSOD-RXVVDRJESA-N 1 3 371.525 2.846 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC2=CC[NH2+]CC2)c2ccccc2)CC1 ZINC000562803405 517416807 /nfs/dbraw/zinc/41/68/07/517416807.db2.gz VWUQSAWXFVMRDP-FQEVSTJZSA-N 1 3 356.514 2.679 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000556441385 517431768 /nfs/dbraw/zinc/43/17/68/517431768.db2.gz KUJLZJDEWFEMAW-FQEVSTJZSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000556441385 517431778 /nfs/dbraw/zinc/43/17/78/517431778.db2.gz KUJLZJDEWFEMAW-FQEVSTJZSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515790094 517476168 /nfs/dbraw/zinc/47/61/68/517476168.db2.gz CKDSDOMSVZDHBE-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515790094 517476176 /nfs/dbraw/zinc/47/61/76/517476176.db2.gz CKDSDOMSVZDHBE-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515840248 517491560 /nfs/dbraw/zinc/49/15/60/517491560.db2.gz IOGOPJUNXVOMJH-CDXJDZJCSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000515840248 517491568 /nfs/dbraw/zinc/49/15/68/517491568.db2.gz IOGOPJUNXVOMJH-CDXJDZJCSA-N 1 3 370.541 2.907 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000562987481 517559398 /nfs/dbraw/zinc/55/93/98/517559398.db2.gz XOOLHWCSTSXDEL-ZRHASKPBSA-N 1 3 360.498 2.684 20 0 FFADHO O=C1CC[C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2N1 ZINC000542500302 517596412 /nfs/dbraw/zinc/59/64/12/517596412.db2.gz UMRKRSYGLCNLCD-ICSRJNTNSA-N 1 3 365.477 2.816 20 0 FFADHO O=C1CC[C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2N1 ZINC000542500302 517596421 /nfs/dbraw/zinc/59/64/21/517596421.db2.gz UMRKRSYGLCNLCD-ICSRJNTNSA-N 1 3 365.477 2.816 20 0 FFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3cnccn3)cc2)C[C@H]1C ZINC000563111493 517666881 /nfs/dbraw/zinc/66/68/81/517666881.db2.gz LKIVCQXXEHRYQN-QZTJIDSGSA-N 1 3 354.498 2.776 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000553396611 517690371 /nfs/dbraw/zinc/69/03/71/517690371.db2.gz AUCRWGLRAJWYKS-GHTZIAJQSA-N 1 3 370.541 2.703 20 0 FFADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCCNC1 ZINC000516451050 517696223 /nfs/dbraw/zinc/69/62/23/517696223.db2.gz SNYWTWDGCMZETH-YVHKJVDXSA-N 1 3 369.509 2.963 20 0 FFADHO CC(C)OCc1ccccc1CNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563155029 517698548 /nfs/dbraw/zinc/69/85/48/517698548.db2.gz YFVKECNBGLJEHZ-PMACEKPBSA-N 1 3 373.541 2.549 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563209642 517738163 /nfs/dbraw/zinc/73/81/63/517738163.db2.gz WFUCGIBBUPYEEA-IFMALSPDSA-N 1 3 363.505 2.983 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563209642 517738176 /nfs/dbraw/zinc/73/81/76/517738176.db2.gz WFUCGIBBUPYEEA-IFMALSPDSA-N 1 3 363.505 2.983 20 0 FFADHO C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000556921567 517747859 /nfs/dbraw/zinc/74/78/59/517747859.db2.gz PNMGJGIGKKSOBC-INIZCTEOSA-N 1 3 368.543 2.635 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000521697279 517833057 /nfs/dbraw/zinc/83/30/57/517833057.db2.gz FMSJOPNEWZSVFQ-HCXYKTFWSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000521697279 517833062 /nfs/dbraw/zinc/83/30/62/517833062.db2.gz FMSJOPNEWZSVFQ-HCXYKTFWSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CCc1c(F)cccc1F)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000521847354 517870229 /nfs/dbraw/zinc/87/02/29/517870229.db2.gz VKDOZOYAVIQAFN-INIZCTEOSA-N 1 3 367.484 2.868 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000560583307 517909525 /nfs/dbraw/zinc/90/95/25/517909525.db2.gz XNQCPBLHSLCVLQ-CVEARBPZSA-N 1 3 363.502 2.885 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000560583307 517909537 /nfs/dbraw/zinc/90/95/37/517909537.db2.gz XNQCPBLHSLCVLQ-CVEARBPZSA-N 1 3 363.502 2.885 20 0 FFADHO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000530710657 517933164 /nfs/dbraw/zinc/93/31/64/517933164.db2.gz NDEATWKVJAMMNP-GOSISDBHSA-N 1 3 374.533 2.550 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC000522077615 517978131 /nfs/dbraw/zinc/97/81/31/517978131.db2.gz PBDNBVTURYEQML-RTWAWAEBSA-N 1 3 372.557 2.818 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000563561195 517985646 /nfs/dbraw/zinc/98/56/46/517985646.db2.gz ZYPRFLSDIBGHHH-KRWDZBQOSA-N 1 3 364.559 2.731 20 0 FFADHO C[C@@]1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)CCCN1Cc1ccccc1 ZINC000563593766 518008820 /nfs/dbraw/zinc/00/88/20/518008820.db2.gz WEXQGCJFKGHHEG-CTNGQTDRSA-N 1 3 358.530 2.812 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000517104978 518027082 /nfs/dbraw/zinc/02/70/82/518027082.db2.gz YZTITXSVNCLMTR-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000517225703 518074676 /nfs/dbraw/zinc/07/46/76/518074676.db2.gz CKUYGANQSBAISG-RBUKOAKNSA-N 1 3 373.545 2.847 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528148092 518119643 /nfs/dbraw/zinc/11/96/43/518119643.db2.gz GKOUCXAQLNBABD-HKUYNNGSSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000528148092 518119645 /nfs/dbraw/zinc/11/96/45/518119645.db2.gz GKOUCXAQLNBABD-HKUYNNGSSA-N 1 3 350.551 2.813 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000522601398 518132820 /nfs/dbraw/zinc/13/28/20/518132820.db2.gz FVFDWMKBMTZJRG-MOPGFXCFSA-N 1 3 360.546 2.927 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CSCc1ccc(Cl)cc1 ZINC000531118613 518143863 /nfs/dbraw/zinc/14/38/63/518143863.db2.gz RDDBETLFKHMMFQ-UHFFFAOYSA-N 1 3 357.951 2.525 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000539714862 518146812 /nfs/dbraw/zinc/14/68/12/518146812.db2.gz QBXCRDVPQFPODC-MRXNPFEDSA-N 1 3 356.470 2.701 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000522761228 518160374 /nfs/dbraw/zinc/16/03/74/518160374.db2.gz ISLXXGGMYXYJND-RBUKOAKNSA-N 1 3 373.541 2.817 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000522761228 518160375 /nfs/dbraw/zinc/16/03/75/518160375.db2.gz ISLXXGGMYXYJND-RBUKOAKNSA-N 1 3 373.541 2.817 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522832082 518168544 /nfs/dbraw/zinc/16/85/44/518168544.db2.gz FYIOWRJQWFBNIN-SFHLNBCPSA-N 1 3 372.557 2.778 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[NH+]1CCC(C)CC1 ZINC000535367023 518176670 /nfs/dbraw/zinc/17/66/70/518176670.db2.gz WIZYWTJYRJWRLN-RLLQIKCJSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CCN1Cc1ccccc1 ZINC000569611373 518206222 /nfs/dbraw/zinc/20/62/22/518206222.db2.gz SZPMOAWKQPVIRP-UYAOXDASSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CCN1Cc1ccccc1 ZINC000569611371 518206645 /nfs/dbraw/zinc/20/66/45/518206645.db2.gz SZPMOAWKQPVIRP-QUCCMNQESA-N 1 3 370.541 2.919 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccco1 ZINC000563868512 518209093 /nfs/dbraw/zinc/20/90/93/518209093.db2.gz PPEMOBOPHGCZRD-NVXWUHKLSA-N 1 3 350.507 2.740 20 0 FFADHO CSc1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000563881694 518213193 /nfs/dbraw/zinc/21/31/93/518213193.db2.gz NHOPUSNIGZISRO-HMQMGEFJSA-N 1 3 350.528 2.753 20 0 FFADHO CSc1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000563881694 518213197 /nfs/dbraw/zinc/21/31/97/518213197.db2.gz NHOPUSNIGZISRO-HMQMGEFJSA-N 1 3 350.528 2.753 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000578461417 518220163 /nfs/dbraw/zinc/22/01/63/518220163.db2.gz HMXOAJSDHSTAJS-HOJAQTOUSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000578461420 518221801 /nfs/dbraw/zinc/22/18/01/518221801.db2.gz HMXOAJSDHSTAJS-YZGWKJHDSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000563916860 518228222 /nfs/dbraw/zinc/22/82/22/518228222.db2.gz WHPGJGGGAKEIMT-WOJBJXKFSA-N 1 3 358.530 2.626 20 0 FFADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000563916860 518228226 /nfs/dbraw/zinc/22/82/26/518228226.db2.gz WHPGJGGGAKEIMT-WOJBJXKFSA-N 1 3 358.530 2.626 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000584230043 518238672 /nfs/dbraw/zinc/23/86/72/518238672.db2.gz HRRGUMDBOIWSDD-JAXLGGSGSA-N 1 3 355.526 2.889 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H](C)C1 ZINC000584233994 518241176 /nfs/dbraw/zinc/24/11/76/518241176.db2.gz NQNAOAMKAMRZGR-HSALFYBXSA-N 1 3 367.578 2.750 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H](C)C1 ZINC000584233994 518241179 /nfs/dbraw/zinc/24/11/79/518241179.db2.gz NQNAOAMKAMRZGR-HSALFYBXSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000569690845 518242947 /nfs/dbraw/zinc/24/29/47/518242947.db2.gz QKEYVTPOIMABPY-PXNSSMCTSA-N 1 3 358.530 2.622 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000569690845 518242954 /nfs/dbraw/zinc/24/29/54/518242954.db2.gz QKEYVTPOIMABPY-PXNSSMCTSA-N 1 3 358.530 2.622 20 0 FFADHO O=C(CCNCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1ccccc1 ZINC000569693433 518244004 /nfs/dbraw/zinc/24/40/04/518244004.db2.gz MEJBMPCKEVAYCX-NRFANRHFSA-N 1 3 367.493 2.762 20 0 FFADHO O=C(CCNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)Nc1ccccc1 ZINC000569693433 518244005 /nfs/dbraw/zinc/24/40/05/518244005.db2.gz MEJBMPCKEVAYCX-NRFANRHFSA-N 1 3 367.493 2.762 20 0 FFADHO OC[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]1c1ccccc1 ZINC000572593306 518265228 /nfs/dbraw/zinc/26/52/28/518265228.db2.gz FJVNRWPBXKRWED-JVSAHFFESA-N 1 3 364.489 2.998 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ncc(C)s3)CC2)CC1 ZINC000581438125 518285970 /nfs/dbraw/zinc/28/59/70/518285970.db2.gz GMADFLZIIDQAFB-HNNXBMFYSA-N 1 3 364.559 2.825 20 0 FFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000564078996 518297074 /nfs/dbraw/zinc/29/70/74/518297074.db2.gz YVTNBTGRUAWFIH-NRFANRHFSA-N 1 3 369.509 2.944 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000575923864 518345564 /nfs/dbraw/zinc/34/55/64/518345564.db2.gz OBUOEKPZKLBPFV-ZJVRTDGDSA-N 1 3 371.525 2.869 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2cccc3ccccc32)CCCO1 ZINC000564320213 518397423 /nfs/dbraw/zinc/39/74/23/518397423.db2.gz YLLJEZKWHKBXGM-AZUAARDMSA-N 1 3 372.509 2.670 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2cccc3ccccc32)CCCO1 ZINC000564320213 518397430 /nfs/dbraw/zinc/39/74/30/518397430.db2.gz YLLJEZKWHKBXGM-AZUAARDMSA-N 1 3 372.509 2.670 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)CC2)CC1 ZINC000584665097 518420213 /nfs/dbraw/zinc/42/02/13/518420213.db2.gz ZWJITDBYMRJKRT-MJGOQNOKSA-N 1 3 369.500 2.686 20 0 FFADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1cccc(Br)c1 ZINC000581809851 518453185 /nfs/dbraw/zinc/45/31/85/518453185.db2.gz UOKVJFPZHOPZIL-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO O=C(CCNC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(Br)c1 ZINC000581809851 518453193 /nfs/dbraw/zinc/45/31/93/518453193.db2.gz UOKVJFPZHOPZIL-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO O=C(CCNC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cccc(Br)c1 ZINC000581809851 518453197 /nfs/dbraw/zinc/45/31/97/518453197.db2.gz UOKVJFPZHOPZIL-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCC[C@H](N2CCOCC2)C1 ZINC000581832929 518460250 /nfs/dbraw/zinc/46/02/50/518460250.db2.gz XHKVACWXRRSGKQ-QFIPXVFZSA-N 1 3 357.542 2.969 20 0 FFADHO CCN(C[C@H]1CCCN1CC)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000570142671 518460523 /nfs/dbraw/zinc/46/05/23/518460523.db2.gz JSFNEHTYGNSRBV-MSOLQXFVSA-N 1 3 353.576 2.537 20 0 FFADHO Cc1c(F)cccc1NC(=O)CCNCC1([NH+]2CCCC2)CCOCC1 ZINC000567345370 518477407 /nfs/dbraw/zinc/47/74/07/518477407.db2.gz FKCRQBWQQCXIJH-UHFFFAOYSA-N 1 3 363.477 2.697 20 0 FFADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000564565655 518505139 /nfs/dbraw/zinc/50/51/39/518505139.db2.gz ZAHJBNIEXQPNGR-OAHLLOKOSA-N 1 3 358.486 2.580 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000579107252 518525255 /nfs/dbraw/zinc/52/52/55/518525255.db2.gz FEGNWHVLVUSQRI-UXHICEINSA-N 1 3 352.482 2.557 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000579107251 518525402 /nfs/dbraw/zinc/52/54/02/518525402.db2.gz FEGNWHVLVUSQRI-PMACEKPBSA-N 1 3 352.482 2.557 20 0 FFADHO Cc1ccc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c(OCCN(C)C)c1 ZINC000576316811 518530844 /nfs/dbraw/zinc/53/08/44/518530844.db2.gz BTXPHHMKYVCXSF-MRXNPFEDSA-N 1 3 350.507 2.786 20 0 FFADHO Cc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(OCCN(C)C)c1 ZINC000576316811 518530849 /nfs/dbraw/zinc/53/08/49/518530849.db2.gz BTXPHHMKYVCXSF-MRXNPFEDSA-N 1 3 350.507 2.786 20 0 FFADHO Cc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000581997987 518538915 /nfs/dbraw/zinc/53/89/15/518538915.db2.gz NCJGBWHEORIWPR-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000581997987 518538923 /nfs/dbraw/zinc/53/89/23/518538923.db2.gz NCJGBWHEORIWPR-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000581997987 518538931 /nfs/dbraw/zinc/53/89/31/518538931.db2.gz NCJGBWHEORIWPR-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000567574664 518593789 /nfs/dbraw/zinc/59/37/89/518593789.db2.gz DTIXSBLFGXTWCE-FQEVSTJZSA-N 1 3 350.466 2.510 20 0 FFADHO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000567574664 518593793 /nfs/dbraw/zinc/59/37/93/518593793.db2.gz DTIXSBLFGXTWCE-FQEVSTJZSA-N 1 3 350.466 2.510 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000576449774 518598555 /nfs/dbraw/zinc/59/85/55/518598555.db2.gz HAKAXBNNDFUNSW-HXUWFJFHSA-N 1 3 366.509 2.966 20 0 FFADHO C[C@H]1Oc2ccccc2OC1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000573357245 518628630 /nfs/dbraw/zinc/62/86/30/518628630.db2.gz NJGFICYTGHWBAN-BZNIZROVSA-N 1 3 359.451 2.777 20 0 FFADHO NC[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc2ccccc2c1 ZINC000579333705 518632065 /nfs/dbraw/zinc/63/20/65/518632065.db2.gz WLVRDWVZHUMDRZ-UTKZUKDTSA-N 1 3 366.509 2.967 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000570498929 518635718 /nfs/dbraw/zinc/63/57/18/518635718.db2.gz KDVLLHHKZTWBKR-CXAGYDPISA-N 1 3 352.910 2.725 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000570498929 518635727 /nfs/dbraw/zinc/63/57/27/518635727.db2.gz KDVLLHHKZTWBKR-CXAGYDPISA-N 1 3 352.910 2.725 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000564922279 518696494 /nfs/dbraw/zinc/69/64/94/518696494.db2.gz PZYZLGQITURUGN-APWZRJJASA-N 1 3 369.513 2.667 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000576687652 518713639 /nfs/dbraw/zinc/71/36/39/518713639.db2.gz ZRHSDUYOTSICBD-CWFSZBLJSA-N 1 3 352.482 2.951 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000573545821 518718286 /nfs/dbraw/zinc/71/82/86/518718286.db2.gz SSMVZFOUMIFTHR-FPOVZHCZSA-N 1 3 370.497 2.804 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NCc2ccc(C[NH3+])cc2)CCC1 ZINC000567820452 518729598 /nfs/dbraw/zinc/72/95/98/518729598.db2.gz KTCVOQFBMLDYSV-UHFFFAOYSA-N 1 3 366.509 2.999 20 0 FFADHO CN(C)CCNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000567824253 518731506 /nfs/dbraw/zinc/73/15/06/518731506.db2.gz HVILYMMDRQEEQL-UHFFFAOYSA-N 1 3 350.532 2.948 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(CCCO)c3)CC2)CC1 ZINC000570696511 518735967 /nfs/dbraw/zinc/73/59/67/518735967.db2.gz OBVQCEPYDYSUHL-UHFFFAOYSA-N 1 3 373.541 2.746 20 0 FFADHO NCc1nnc(-c2ccc(NC(=O)CC[C@H]([NH3+])CC3CCCCC3)cc2)[nH]1 ZINC000567835866 518738116 /nfs/dbraw/zinc/73/81/16/518738116.db2.gz JRLRHEWJCPZVQZ-INIZCTEOSA-N 1 3 370.501 2.947 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)c2ccccc2)CC1 ZINC000576807332 518772361 /nfs/dbraw/zinc/77/23/61/518772361.db2.gz HBISKQYYJOERGM-CTNGQTDRSA-N 1 3 358.530 2.840 20 0 FFADHO O=C(NC1CCCCC1)NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000567905005 518778163 /nfs/dbraw/zinc/77/81/63/518778163.db2.gz XDODEPMXOPPQPM-UHFFFAOYSA-N 1 3 370.541 2.929 20 0 FFADHO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000582529553 518797127 /nfs/dbraw/zinc/79/71/27/518797127.db2.gz AEVGFESWGJYPEY-KRWDZBQOSA-N 1 3 360.502 2.625 20 0 FFADHO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000582529553 518797133 /nfs/dbraw/zinc/79/71/33/518797133.db2.gz AEVGFESWGJYPEY-KRWDZBQOSA-N 1 3 360.502 2.625 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000579690188 518804895 /nfs/dbraw/zinc/80/48/95/518804895.db2.gz DKPTZNXRGUVLEK-YQVWRLOYSA-N 1 3 358.530 2.899 20 0 FFADHO CC(C)OCc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000570843571 518807405 /nfs/dbraw/zinc/80/74/05/518807405.db2.gz IUVDGTSMVKUCGG-NHCUHLMSSA-N 1 3 373.541 2.549 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](CN)c1ccccc1 ZINC000567980092 518812487 /nfs/dbraw/zinc/81/24/87/518812487.db2.gz LMYPNIKPWIAIBO-NRFANRHFSA-N 1 3 366.509 2.889 20 0 FFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000573774349 518827322 /nfs/dbraw/zinc/82/73/22/518827322.db2.gz DFOWDDWEWKGIFS-OAQYLSRUSA-N 1 3 367.541 2.867 20 0 FFADHO C[N@H+](CCCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)C1CC1 ZINC000568016190 518833183 /nfs/dbraw/zinc/83/31/83/518833183.db2.gz UXBJKSCNHLANRD-OAQYLSRUSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)C1CC1 ZINC000568016190 518833187 /nfs/dbraw/zinc/83/31/87/518833187.db2.gz UXBJKSCNHLANRD-OAQYLSRUSA-N 1 3 358.530 2.825 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000570925847 518844870 /nfs/dbraw/zinc/84/48/70/518844870.db2.gz MOTADKDIZHKXRR-AABGKKOBSA-N 1 3 361.530 2.720 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000573904939 518892343 /nfs/dbraw/zinc/89/23/43/518892343.db2.gz OWCUHAGGOJQGBL-LWUIHUKISA-N 1 3 370.541 2.856 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000573904918 518892923 /nfs/dbraw/zinc/89/29/23/518892923.db2.gz NZKCPHKUGGQFGK-LESCRADOSA-N 1 3 364.559 2.900 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)cc2)CC1 ZINC000568261126 518954914 /nfs/dbraw/zinc/95/49/14/518954914.db2.gz VVQUEFUWHIXVFA-FQEVSTJZSA-N 1 3 358.530 2.670 20 0 FFADHO Cc1cnccc1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000582945113 518998644 /nfs/dbraw/zinc/99/86/44/518998644.db2.gz GWNMVVUOWCDKLX-UHFFFAOYSA-N 1 3 352.482 2.505 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000582992574 519023797 /nfs/dbraw/zinc/02/37/97/519023797.db2.gz DHOZWBGBGZMPND-MSOLQXFVSA-N 1 3 352.567 2.726 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000582992574 519023804 /nfs/dbraw/zinc/02/38/04/519023804.db2.gz DHOZWBGBGZMPND-MSOLQXFVSA-N 1 3 352.567 2.726 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000565591962 519032993 /nfs/dbraw/zinc/03/29/93/519032993.db2.gz TWZMTLCTNMZWAH-UYAOXDASSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000565591962 519032997 /nfs/dbraw/zinc/03/29/97/519032997.db2.gz TWZMTLCTNMZWAH-UYAOXDASSA-N 1 3 358.530 2.775 20 0 FFADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccccc1F ZINC000577386741 519055944 /nfs/dbraw/zinc/05/59/44/519055944.db2.gz YPGYARQMLAFYQW-LJQANCHMSA-N 1 3 358.457 2.951 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577397605 519061531 /nfs/dbraw/zinc/06/15/31/519061531.db2.gz QFOSFELHVDMVGC-YJNKXOJESA-N 1 3 363.468 2.694 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577397605 519061535 /nfs/dbraw/zinc/06/15/35/519061535.db2.gz QFOSFELHVDMVGC-YJNKXOJESA-N 1 3 363.468 2.694 20 0 FFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000583082599 519066850 /nfs/dbraw/zinc/06/68/50/519066850.db2.gz HYMYGMIOIMXICW-UXHICEINSA-N 1 3 355.457 2.844 20 0 FFADHO CCC[NH2+][C@@H](C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000574274060 519074908 /nfs/dbraw/zinc/07/49/08/519074908.db2.gz CSQYPCZOZYECSQ-HKUYNNGSSA-N 1 3 369.513 2.965 20 0 FFADHO COc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000580316806 519115222 /nfs/dbraw/zinc/11/52/22/519115222.db2.gz BVJVGISWCHATDN-UHFFFAOYSA-N 1 3 357.473 2.917 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000565765867 519120798 /nfs/dbraw/zinc/12/07/98/519120798.db2.gz QPMUKPJPUOTGAI-OXJNMPFZSA-N 1 3 373.545 2.814 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000574426901 519151120 /nfs/dbraw/zinc/15/11/20/519151120.db2.gz OBRAKGYFDYJMGJ-UWJYYQICSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000574463722 519168065 /nfs/dbraw/zinc/16/80/65/519168065.db2.gz SMNIFZZHKMPGJC-SIKLNZKXSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000574463722 519168069 /nfs/dbraw/zinc/16/80/69/519168069.db2.gz SMNIFZZHKMPGJC-SIKLNZKXSA-N 1 3 355.526 2.843 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000590184480 519170801 /nfs/dbraw/zinc/17/08/01/519170801.db2.gz BPUGTXBFZPJRGM-FHWLQOOXSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000580543928 519232112 /nfs/dbraw/zinc/23/21/12/519232112.db2.gz YYCDITHERKFRHX-FDDCHVKYSA-N 1 3 368.521 2.898 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000577745697 519235067 /nfs/dbraw/zinc/23/50/67/519235067.db2.gz RZCFYBRMUCHOEC-ICSRJNTNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000577745697 519235073 /nfs/dbraw/zinc/23/50/73/519235073.db2.gz RZCFYBRMUCHOEC-ICSRJNTNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)[C@H]1CCCNC1 ZINC000577839651 519282563 /nfs/dbraw/zinc/28/25/63/519282563.db2.gz CQGIUGGXZWJROA-WNRNVDISSA-N 1 3 369.509 2.962 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000580668160 519293039 /nfs/dbraw/zinc/29/30/39/519293039.db2.gz XYWHWIJLQKIGAP-CSODHUTKSA-N 1 3 370.541 2.795 20 0 FFADHO [NH3+]C1(CNC2CCN(Cc3ccncc3)CC2)C2CC3CC(C2)CC1C3 ZINC000566092253 519293239 /nfs/dbraw/zinc/29/32/39/519293239.db2.gz YPBQSAYGTAZCBC-UHFFFAOYSA-N 1 3 354.542 2.789 20 0 FFADHO NC1(C[NH2+]C2CCN(Cc3ccncc3)CC2)C2CC3CC(C2)CC1C3 ZINC000566092253 519293245 /nfs/dbraw/zinc/29/32/45/519293245.db2.gz YPBQSAYGTAZCBC-UHFFFAOYSA-N 1 3 354.542 2.789 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000566110138 519306139 /nfs/dbraw/zinc/30/61/39/519306139.db2.gz GCIHPNZVEVJSNV-IEBWSBKVSA-N 1 3 372.513 2.604 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000566110138 519306147 /nfs/dbraw/zinc/30/61/47/519306147.db2.gz GCIHPNZVEVJSNV-IEBWSBKVSA-N 1 3 372.513 2.604 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000566110141 519306543 /nfs/dbraw/zinc/30/65/43/519306543.db2.gz GCIHPNZVEVJSNV-PKOBYXMFSA-N 1 3 372.513 2.604 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000566110141 519306551 /nfs/dbraw/zinc/30/65/51/519306551.db2.gz GCIHPNZVEVJSNV-PKOBYXMFSA-N 1 3 372.513 2.604 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(CC4CC4)nc3)CC2)CC1 ZINC000571894163 519334522 /nfs/dbraw/zinc/33/45/22/519334522.db2.gz DSBQKUSAXCYRCD-UHFFFAOYSA-N 1 3 371.529 2.564 20 0 FFADHO CCOC[C@@H]1CCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000583640276 519355437 /nfs/dbraw/zinc/35/54/37/519355437.db2.gz GJYFWVBGUKGZSA-FQEVSTJZSA-N 1 3 365.562 2.600 20 0 FFADHO O=C(CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)NCc1ccccc1 ZINC000574868554 519375249 /nfs/dbraw/zinc/37/52/49/519375249.db2.gz AEKXYORYZUDQGQ-UGKGYDQZSA-N 1 3 365.477 2.538 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000578129821 519434545 /nfs/dbraw/zinc/43/45/45/519434545.db2.gz FAOZGBLEQZOHRH-DLBZAZTESA-N 1 3 353.576 2.762 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccsc1 ZINC000578171234 519456348 /nfs/dbraw/zinc/45/63/48/519456348.db2.gz RWZUFDVEBYCYGT-PKOBYXMFSA-N 1 3 364.559 2.916 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C2CC2)[NH+](C)C)cc1 ZINC000583832628 519457065 /nfs/dbraw/zinc/45/70/65/519457065.db2.gz IWFJSVDBHBMUNN-PMACEKPBSA-N 1 3 359.514 2.820 20 0 FFADHO C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000569267731 519461894 /nfs/dbraw/zinc/46/18/94/519461894.db2.gz COEPVQSHAMUZAU-CQSZACIVSA-N 1 3 372.916 2.621 20 0 FFADHO c1cc(CN2CCC[C@H](N3CCOCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000566425405 519485424 /nfs/dbraw/zinc/48/54/24/519485424.db2.gz WFVCWBLOTFEANZ-QFIPXVFZSA-N 1 3 357.542 2.969 20 0 FFADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000569360793 519511268 /nfs/dbraw/zinc/51/12/68/519511268.db2.gz RHAPZZYNYARWRN-WOJBJXKFSA-N 1 3 355.526 2.888 20 0 FFADHO CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H]1n1cccn1 ZINC000575201229 519551892 /nfs/dbraw/zinc/55/18/92/519551892.db2.gz ZSOYSANZLUNNLM-DVWBAYGPSA-N 1 3 372.513 2.893 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000569456693 519560039 /nfs/dbraw/zinc/56/00/39/519560039.db2.gz UIYMAKJZHBSZAE-IAGOWNOFSA-N 1 3 364.559 2.820 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCCC[NH2+]C(C)C)N2CCCC2)cc1 ZINC000584042857 519563185 /nfs/dbraw/zinc/56/31/85/519563185.db2.gz AZQGGXCRDCPYHA-LJQANCHMSA-N 1 3 362.518 2.519 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000581240575 519593419 /nfs/dbraw/zinc/59/34/19/519593419.db2.gz MMEVATSYUDRZFN-CBZIJGRNSA-N 1 3 364.559 2.948 20 0 FFADHO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCCN3C3CCOCC3)cccc21 ZINC000566658236 519598126 /nfs/dbraw/zinc/59/81/26/519598126.db2.gz ALQFEGQICZGVAX-MOPGFXCFSA-N 1 3 373.497 2.654 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3SC)CC2)CC1 ZINC000594377850 519925828 /nfs/dbraw/zinc/92/58/28/519925828.db2.gz WLEJHDRCDNFEHX-RTBURBONSA-N 1 3 367.603 2.973 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000591494239 519930607 /nfs/dbraw/zinc/93/06/07/519930607.db2.gz WBEPOKHUSXWBIQ-SFHVURJKSA-N 1 3 360.502 2.719 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC000602878462 519944614 /nfs/dbraw/zinc/94/46/14/519944614.db2.gz WQQBYQAJOIKRFR-QGZVFWFLSA-N 1 3 372.513 2.758 20 0 FFADHO Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)ccc1C[NH+](C)C ZINC000616242411 519953228 /nfs/dbraw/zinc/95/32/28/519953228.db2.gz SHYZWMGEHPPWSF-JKSUJKDBSA-N 1 3 374.403 2.979 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000591579029 519958760 /nfs/dbraw/zinc/95/87/60/519958760.db2.gz NZSCBIYZZAWHGM-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000591579029 519958764 /nfs/dbraw/zinc/95/87/64/519958764.db2.gz NZSCBIYZZAWHGM-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO COc1ccc(-c2nc(CNCCCN3CCC[N@H+](C)CC3)cs2)cc1 ZINC000591717130 520010787 /nfs/dbraw/zinc/01/07/87/520010787.db2.gz JVXSRUBXCJUEPO-UHFFFAOYSA-N 1 3 374.554 2.936 20 0 FFADHO COc1ccc(-c2nc(CNCCCN3CCC[N@@H+](C)CC3)cs2)cc1 ZINC000591717130 520010789 /nfs/dbraw/zinc/01/07/89/520010789.db2.gz JVXSRUBXCJUEPO-UHFFFAOYSA-N 1 3 374.554 2.936 20 0 FFADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000595066124 520275789 /nfs/dbraw/zinc/27/57/89/520275789.db2.gz CJZRTFMIIAEZDS-APWZRJJASA-N 1 3 362.514 2.711 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000617348859 520443199 /nfs/dbraw/zinc/44/31/99/520443199.db2.gz HVORZKBDUCYRMV-LJQANCHMSA-N 1 3 372.557 2.578 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000617348859 520443207 /nfs/dbraw/zinc/44/32/07/520443207.db2.gz HVORZKBDUCYRMV-LJQANCHMSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000604193669 520481650 /nfs/dbraw/zinc/48/16/50/520481650.db2.gz IDEZJEWYLUXCMU-XLIONFOSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000604193669 520481660 /nfs/dbraw/zinc/48/16/60/520481660.db2.gz IDEZJEWYLUXCMU-XLIONFOSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000617503253 520538788 /nfs/dbraw/zinc/53/87/88/520538788.db2.gz BCESYUNCDACHCA-ZDUSSCGKSA-N 1 3 361.408 2.587 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000617503253 520538795 /nfs/dbraw/zinc/53/87/95/520538795.db2.gz BCESYUNCDACHCA-ZDUSSCGKSA-N 1 3 361.408 2.587 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c1 ZINC000592958075 520659324 /nfs/dbraw/zinc/65/93/24/520659324.db2.gz VGLLRRJMGAYUNJ-MRXNPFEDSA-N 1 3 355.486 2.813 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000601286479 520724160 /nfs/dbraw/zinc/72/41/60/520724160.db2.gz XPZCDVDMKPUIHO-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000601286479 520724168 /nfs/dbraw/zinc/72/41/68/520724168.db2.gz XPZCDVDMKPUIHO-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO COC(=O)c1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)n2c1CCCC2 ZINC000598672004 520778134 /nfs/dbraw/zinc/77/81/34/520778134.db2.gz JBQYRJDZDSBQGL-QGZVFWFLSA-N 1 3 359.514 2.775 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(SC)CC3)CC2)CC1 ZINC000601689149 520906443 /nfs/dbraw/zinc/90/64/43/520906443.db2.gz FJHXXSQSSKDZMA-UHFFFAOYSA-N 1 3 353.576 2.537 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000606622222 521109970 /nfs/dbraw/zinc/10/99/70/521109970.db2.gz ZUHRULDKDRUFSL-UZLBHIALSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606651587 521123765 /nfs/dbraw/zinc/12/37/65/521123765.db2.gz KHLANAHTYVJISF-ZWOKBUDYSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000606650264 521124276 /nfs/dbraw/zinc/12/42/76/521124276.db2.gz GPOPVUMIVOWZRO-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000606650264 521124282 /nfs/dbraw/zinc/12/42/82/521124282.db2.gz GPOPVUMIVOWZRO-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000611678946 521278121 /nfs/dbraw/zinc/27/81/21/521278121.db2.gz WZNSDBCXRPOJOX-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000611678946 521278131 /nfs/dbraw/zinc/27/81/31/521278131.db2.gz WZNSDBCXRPOJOX-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000594101996 521405074 /nfs/dbraw/zinc/40/50/74/521405074.db2.gz FTYIYPPZOQEEER-RDGPPVDQSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000594101996 521405085 /nfs/dbraw/zinc/40/50/85/521405085.db2.gz FTYIYPPZOQEEER-RDGPPVDQSA-N 1 3 352.567 2.917 20 0 FFADHO CCc1oc(CNCC2CC[NH+](C3CCOCC3)CC2)cc1C(=O)OC ZINC000597177715 521557776 /nfs/dbraw/zinc/55/77/76/521557776.db2.gz OBOYFLJTMOZXLY-UHFFFAOYSA-N 1 3 364.486 2.609 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000616077749 521616824 /nfs/dbraw/zinc/61/68/24/521616824.db2.gz RICNUQJQRKBDLL-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO C[S@@](=O)C1(CNCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000619551827 521765329 /nfs/dbraw/zinc/76/53/29/521765329.db2.gz NNAKRVLXBLWCMO-XMMPIXPASA-N 1 3 350.528 2.552 20 0 FFADHO OC1CC[NH+](Cc2ccc(CNCc3ccc4nccnc4c3)cc2)CC1 ZINC000634960437 521836989 /nfs/dbraw/zinc/83/69/89/521836989.db2.gz RWMDWMWGQORTSF-UHFFFAOYSA-N 1 3 362.477 2.876 20 0 FFADHO OC1(C[NH2+]Cc2ccc3nccnc3c2)CCN(Cc2ccccc2)CC1 ZINC000634983875 521850903 /nfs/dbraw/zinc/85/09/03/521850903.db2.gz AXDNNFBOBSUBNA-UHFFFAOYSA-N 1 3 362.477 2.747 20 0 FFADHO CN1CCO[C@@H]([C@@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000635006894 521864794 /nfs/dbraw/zinc/86/47/94/521864794.db2.gz UKSWZRLHNUIEFB-AXUOBQJMSA-N 1 3 351.922 2.819 20 0 FFADHO COc1ccc([C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N2CCOCC2)cc1 ZINC000623338180 521947977 /nfs/dbraw/zinc/94/79/77/521947977.db2.gz OBRJZAZCEOZXQF-UYAOXDASSA-N 1 3 361.530 2.531 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000623726829 522243452 /nfs/dbraw/zinc/24/34/52/522243452.db2.gz CDCCMEINHUOILV-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629514436 522293054 /nfs/dbraw/zinc/29/30/54/522293054.db2.gz ZWCAMYQUNQZZKZ-BDJLRTHQSA-N 1 3 366.303 2.762 20 0 FFADHO [NH3+]C1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCOCC1 ZINC000629520255 522296106 /nfs/dbraw/zinc/29/61/06/522296106.db2.gz DUAUUFPREHEBQF-UHFFFAOYSA-N 1 3 355.885 2.541 20 0 FFADHO CC[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(C(F)(F)F)c1 ZINC000629567829 522322948 /nfs/dbraw/zinc/32/29/48/522322948.db2.gz MOSQVGJXKWIZGU-HOTGVXAUSA-N 1 3 360.420 2.909 20 0 FFADHO CCOCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000629575293 522327576 /nfs/dbraw/zinc/32/75/76/522327576.db2.gz OENPRFNCQCKJRS-ZRBLBEILSA-N 1 3 368.521 2.943 20 0 FFADHO CCOCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000629575293 522327587 /nfs/dbraw/zinc/32/75/87/522327587.db2.gz OENPRFNCQCKJRS-ZRBLBEILSA-N 1 3 368.521 2.943 20 0 FFADHO CCCN(C)[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000629580771 522328281 /nfs/dbraw/zinc/32/82/81/522328281.db2.gz HBTCJSAHHJCMGF-MOPGFXCFSA-N 1 3 353.938 2.769 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000635527531 522336109 /nfs/dbraw/zinc/33/61/09/522336109.db2.gz IZSDZBZUAYZWNM-BZUAXINKSA-N 1 3 350.532 2.702 20 0 FFADHO C[N@@H+]1CC[C@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1(C)C ZINC000623952326 522387081 /nfs/dbraw/zinc/38/70/81/522387081.db2.gz MQTRCFCOZPGYKW-KRWDZBQOSA-N 1 3 371.529 2.722 20 0 FFADHO C[N@H+]1CC[C@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1(C)C ZINC000623952326 522387090 /nfs/dbraw/zinc/38/70/90/522387090.db2.gz MQTRCFCOZPGYKW-KRWDZBQOSA-N 1 3 371.529 2.722 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000632956251 522426155 /nfs/dbraw/zinc/42/61/55/522426155.db2.gz VCCUZVBMHWQNLF-GOSISDBHSA-N 1 3 360.502 2.686 20 0 FFADHO CN(C)Cc1ccc(F)c(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)nc2)c1 ZINC000629736841 522427604 /nfs/dbraw/zinc/42/76/04/522427604.db2.gz KTJGIHLZFPCBDB-INIZCTEOSA-N 1 3 356.445 2.887 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CCN1C1CCCCC1 ZINC000624126094 522491262 /nfs/dbraw/zinc/49/12/62/522491262.db2.gz XMWBAWHNVPTAQU-IBGZPJMESA-N 1 3 350.551 2.959 20 0 FFADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000620912825 522515447 /nfs/dbraw/zinc/51/54/47/522515447.db2.gz UHSGIVHHWNMAMA-VQTJNVASSA-N 1 3 373.541 2.781 20 0 FFADHO C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)C1CC[NH+](C)CC1 ZINC000624166596 522518204 /nfs/dbraw/zinc/51/82/04/522518204.db2.gz FYWOIXFZBZNRKD-WBMJQRKESA-N 1 3 353.869 2.904 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C2 ZINC000626922006 522531505 /nfs/dbraw/zinc/53/15/05/522531505.db2.gz MGVWQRLNABVGPW-LZQZEXGQSA-N 1 3 362.543 2.526 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000627048463 522617746 /nfs/dbraw/zinc/61/77/46/522617746.db2.gz DVMIJCBBGSBCPB-GOSISDBHSA-N 1 3 356.514 2.625 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000633349077 522688668 /nfs/dbraw/zinc/68/86/68/522688668.db2.gz XVLRYFVCLMLRQJ-KRWDZBQOSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621372576 522807503 /nfs/dbraw/zinc/80/75/03/522807503.db2.gz XQMCCTRIBUTONX-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621372576 522807492 /nfs/dbraw/zinc/80/74/92/522807492.db2.gz XQMCCTRIBUTONX-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621372576 522807498 /nfs/dbraw/zinc/80/74/98/522807498.db2.gz XQMCCTRIBUTONX-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621372576 522807507 /nfs/dbraw/zinc/80/75/07/522807507.db2.gz XQMCCTRIBUTONX-MTIDIVMFSA-N 1 3 360.542 2.587 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1ccccc1Cl ZINC000624714218 522874768 /nfs/dbraw/zinc/87/47/68/522874768.db2.gz NRXHFTQNYQCIQQ-MRXNPFEDSA-N 1 3 366.937 2.626 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1ccccc1Cl ZINC000624714218 522874777 /nfs/dbraw/zinc/87/47/77/522874777.db2.gz NRXHFTQNYQCIQQ-MRXNPFEDSA-N 1 3 366.937 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)CC[N@@H+]1C ZINC000631300373 523526170 /nfs/dbraw/zinc/52/61/70/523526170.db2.gz HKWBZCHVDQCRGU-YSIASYRMSA-N 1 3 373.541 2.733 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@@H](C)c3ccccc3)CCOCC2)CC[N@H+]1C ZINC000631300373 523526180 /nfs/dbraw/zinc/52/61/80/523526180.db2.gz HKWBZCHVDQCRGU-YSIASYRMSA-N 1 3 373.541 2.733 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)[C@@H](C)C1 ZINC000637371357 523590810 /nfs/dbraw/zinc/59/08/10/523590810.db2.gz DCNGBENPICIAMY-UHOSZYNNSA-N 1 3 350.551 2.765 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)[C@@H](C)C1 ZINC000637371357 523590822 /nfs/dbraw/zinc/59/08/22/523590822.db2.gz DCNGBENPICIAMY-UHOSZYNNSA-N 1 3 350.551 2.765 20 0 FFADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1CCSc2c(F)cccc21 ZINC000268852865 729695886 /nfs/dbraw/zinc/69/58/86/729695886.db2.gz PPHAWNXDDMYORU-IRXDYDNUSA-N 1 3 365.518 2.895 20 0 FFADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1CCSc2c(F)cccc21 ZINC000268852865 729695889 /nfs/dbraw/zinc/69/58/89/729695889.db2.gz PPHAWNXDDMYORU-IRXDYDNUSA-N 1 3 365.518 2.895 20 0 FFADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423366887 729861275 /nfs/dbraw/zinc/86/12/75/729861275.db2.gz CKBUEOFSDDYUEF-RYQLBKOJSA-N 1 3 365.543 2.782 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(s1)CCNC2 ZINC000638802703 730045497 /nfs/dbraw/zinc/04/54/97/730045497.db2.gz BMFNCDGPAITOHE-MRXNPFEDSA-N 1 3 355.507 2.646 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(s1)CCNC2 ZINC000638802703 730045498 /nfs/dbraw/zinc/04/54/98/730045498.db2.gz BMFNCDGPAITOHE-MRXNPFEDSA-N 1 3 355.507 2.646 20 0 FFADHO [NH3+]Cc1ccc2c(c1)N(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)CCO2 ZINC000638807835 730045551 /nfs/dbraw/zinc/04/55/51/730045551.db2.gz PQENEQCYCTZDFN-QWHCGFSZSA-N 1 3 358.360 2.618 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000638839678 730048116 /nfs/dbraw/zinc/04/81/16/730048116.db2.gz FBJOFMUMZGPQCU-KRWDZBQOSA-N 1 3 351.922 2.744 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000638908475 730051257 /nfs/dbraw/zinc/05/12/57/730051257.db2.gz DIBRKKFVJCZQFY-HNNXBMFYSA-N 1 3 369.912 2.883 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000639354740 730076738 /nfs/dbraw/zinc/07/67/38/730076738.db2.gz LIARONAISACECF-MRXNPFEDSA-N 1 3 369.912 2.883 20 0 FFADHO O[C@H](COc1ccccc1Cl)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681901 730094597 /nfs/dbraw/zinc/09/45/97/730094597.db2.gz HROFOKLEUJXABJ-KRWDZBQOSA-N 1 3 361.873 2.687 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCc1nc2c(s1)CCCC2 ZINC000644609945 730487116 /nfs/dbraw/zinc/48/71/16/730487116.db2.gz OKZFYYIPJGKOTH-KRWDZBQOSA-N 1 3 359.539 2.647 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCc1nc2c(s1)CCCC2 ZINC000644609945 730487119 /nfs/dbraw/zinc/48/71/19/730487119.db2.gz OKZFYYIPJGKOTH-KRWDZBQOSA-N 1 3 359.539 2.647 20 0 FFADHO CCCN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCN(C)C1 ZINC000645422398 730551711 /nfs/dbraw/zinc/55/17/11/730551711.db2.gz LLYUTRUIDZJGTI-ZIFCJYIRSA-N 1 3 350.551 2.765 20 0 FFADHO CCCN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCN(C)C1 ZINC000645422398 730551713 /nfs/dbraw/zinc/55/17/13/730551713.db2.gz LLYUTRUIDZJGTI-ZIFCJYIRSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)CC1 ZINC000649709575 730911346 /nfs/dbraw/zinc/91/13/46/730911346.db2.gz RDLNWZDXYKAAHI-UHFFFAOYSA-N 1 3 351.432 2.769 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCNCc2cccnc2Br)C[C@H](C)O1 ZINC000865472010 730959574 /nfs/dbraw/zinc/95/95/74/730959574.db2.gz URDVOKUACYVRET-OKILXGFUSA-N 1 3 356.308 2.823 20 0 FFADHO C[C@@H]1C[N@H+](CCCCNCc2cccnc2Br)C[C@H](C)O1 ZINC000865472010 730959575 /nfs/dbraw/zinc/95/95/75/730959575.db2.gz URDVOKUACYVRET-OKILXGFUSA-N 1 3 356.308 2.823 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCCC2(C[NH3+])CC2)c2cccs2)CC1 ZINC000652119769 731167852 /nfs/dbraw/zinc/16/78/52/731167852.db2.gz ZCBMJYQMVLMLSW-INIZCTEOSA-N 1 3 364.559 2.949 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925532211 738513186 /nfs/dbraw/zinc/51/31/86/738513186.db2.gz VGVMWGDMYHEITI-CVEARBPZSA-N 1 3 351.878 2.845 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000654500460 731367984 /nfs/dbraw/zinc/36/79/84/731367984.db2.gz OQWVKLKFTFLLMF-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000654500460 731367987 /nfs/dbraw/zinc/36/79/87/731367987.db2.gz OQWVKLKFTFLLMF-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CS1 ZINC000655730007 731502738 /nfs/dbraw/zinc/50/27/38/731502738.db2.gz KZEFMFOHUMHPTE-LPHOPBHVSA-N 1 3 361.555 2.886 20 0 FFADHO FC(F)(F)COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940407 731529399 /nfs/dbraw/zinc/52/93/99/731529399.db2.gz AJPVJVZWRMJINW-ZIAGYGMSSA-N 1 3 358.408 2.629 20 0 FFADHO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925832547 738534163 /nfs/dbraw/zinc/53/41/63/738534163.db2.gz GGASLXAYDXWVPW-RTBURBONSA-N 1 3 364.555 2.781 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925832547 738534168 /nfs/dbraw/zinc/53/41/68/738534168.db2.gz GGASLXAYDXWVPW-RTBURBONSA-N 1 3 364.555 2.781 20 0 FFADHO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000925832620 738534268 /nfs/dbraw/zinc/53/42/68/738534268.db2.gz GNOQNVYEWGTIGH-CQSZACIVSA-N 1 3 361.511 2.536 20 0 FFADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000925849508 738536126 /nfs/dbraw/zinc/53/61/26/738536126.db2.gz DKQHWBNWNSMWGB-ZYHUDNBSSA-N 1 3 372.296 2.912 20 0 FFADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000873234830 731894382 /nfs/dbraw/zinc/89/43/82/731894382.db2.gz IHDATFOVFVIXQF-ZACQAIPSSA-N 1 3 354.441 2.903 20 0 FFADHO COc1cccc(SCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000660157517 732074388 /nfs/dbraw/zinc/07/43/88/732074388.db2.gz UWTGIBFQDOFEOD-FXAWDEMLSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000660157517 732074392 /nfs/dbraw/zinc/07/43/92/732074392.db2.gz UWTGIBFQDOFEOD-FXAWDEMLSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000660157517 732074398 /nfs/dbraw/zinc/07/43/98/732074398.db2.gz UWTGIBFQDOFEOD-FXAWDEMLSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000660157520 732074420 /nfs/dbraw/zinc/07/44/20/732074420.db2.gz UWTGIBFQDOFEOD-PXNSSMCTSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000660157520 732074425 /nfs/dbraw/zinc/07/44/25/732074425.db2.gz UWTGIBFQDOFEOD-PXNSSMCTSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000660157520 732074430 /nfs/dbraw/zinc/07/44/30/732074430.db2.gz UWTGIBFQDOFEOD-PXNSSMCTSA-N 1 3 363.571 2.745 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCN3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497911 732115579 /nfs/dbraw/zinc/11/55/79/732115579.db2.gz SZEIJIKQFIBOIU-SCTDSRPQSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCN3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497911 732115581 /nfs/dbraw/zinc/11/55/81/732115581.db2.gz SZEIJIKQFIBOIU-SCTDSRPQSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCN3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497911 732115583 /nfs/dbraw/zinc/11/55/83/732115583.db2.gz SZEIJIKQFIBOIU-SCTDSRPQSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCN3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000660497911 732115584 /nfs/dbraw/zinc/11/55/84/732115584.db2.gz SZEIJIKQFIBOIU-SCTDSRPQSA-N 1 3 365.587 2.919 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000876723045 732272276 /nfs/dbraw/zinc/27/22/76/732272276.db2.gz LSAPCBGUDYBCEM-UONOGXRCSA-N 1 3 364.559 2.911 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877016111 732312287 /nfs/dbraw/zinc/31/22/87/732312287.db2.gz IAYAQULERHOQGJ-CQSZACIVSA-N 1 3 350.894 2.844 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc4c(s3)CCNC4)C2)CC1 ZINC000662429133 732314806 /nfs/dbraw/zinc/31/48/06/732314806.db2.gz SPWHYNJWKGRUDZ-INIZCTEOSA-N 1 3 361.555 2.978 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccsc1 ZINC000662678390 732345635 /nfs/dbraw/zinc/34/56/35/732345635.db2.gz DKUKJZFGNCPQJP-UKRRQHHQSA-N 1 3 363.449 2.789 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cc(Cl)n1 ZINC000877404154 732358353 /nfs/dbraw/zinc/35/83/53/732358353.db2.gz YJXYGYCZVZSLGP-HZPDHXFCSA-N 1 3 364.921 2.862 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](N)CC(F)F ZINC000662871341 732363301 /nfs/dbraw/zinc/36/33/01/732363301.db2.gz XZNOBGUTDNHTAH-OAHLLOKOSA-N 1 3 361.864 2.993 20 0 FFADHO Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664185735 732548253 /nfs/dbraw/zinc/54/82/53/732548253.db2.gz TTYDHMLQVSDXJU-GJZGRUSLSA-N 1 3 354.564 2.559 20 0 FFADHO Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664185735 732548256 /nfs/dbraw/zinc/54/82/56/732548256.db2.gz TTYDHMLQVSDXJU-GJZGRUSLSA-N 1 3 354.564 2.559 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)CC3(O)CCCC3)C2)s1 ZINC000878573592 732556899 /nfs/dbraw/zinc/55/68/99/732556899.db2.gz LQJNDYGDQJJZOE-QZTJIDSGSA-N 1 3 366.571 2.866 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)CC3(O)CCCC3)C2)s1 ZINC000878573592 732556906 /nfs/dbraw/zinc/55/69/06/732556906.db2.gz LQJNDYGDQJJZOE-QZTJIDSGSA-N 1 3 366.571 2.866 20 0 FFADHO CC(C)Oc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665578707 732728996 /nfs/dbraw/zinc/72/89/96/732728996.db2.gz DWAVOIIEDFYSBE-INIZCTEOSA-N 1 3 350.507 2.867 20 0 FFADHO CC(C)Oc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665578707 732729000 /nfs/dbraw/zinc/72/90/00/732729000.db2.gz DWAVOIIEDFYSBE-INIZCTEOSA-N 1 3 350.507 2.867 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2sccc2[C@@H]1C ZINC000665637911 732734953 /nfs/dbraw/zinc/73/49/53/732734953.db2.gz SPZPIPGZGPLYJI-GJZGRUSLSA-N 1 3 352.548 2.649 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2sccc2[C@@H]1C ZINC000665637911 732734955 /nfs/dbraw/zinc/73/49/55/732734955.db2.gz SPZPIPGZGPLYJI-GJZGRUSLSA-N 1 3 352.548 2.649 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000665757688 732752330 /nfs/dbraw/zinc/75/23/30/732752330.db2.gz SNEKCAHRUGIQEZ-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000665757688 732752335 /nfs/dbraw/zinc/75/23/35/732752335.db2.gz SNEKCAHRUGIQEZ-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO CSc1ccccc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763087 732753073 /nfs/dbraw/zinc/75/30/73/732753073.db2.gz YHDHYUQWPGVGBM-INIZCTEOSA-N 1 3 366.575 2.822 20 0 FFADHO CSc1ccccc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763087 732753075 /nfs/dbraw/zinc/75/30/75/732753075.db2.gz YHDHYUQWPGVGBM-INIZCTEOSA-N 1 3 366.575 2.822 20 0 FFADHO C[NH+](C)Cc1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000666284242 732826448 /nfs/dbraw/zinc/82/64/48/732826448.db2.gz SBYKTQGOSMRZJM-HUUCEWRRSA-N 1 3 360.376 2.671 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000666921867 732917250 /nfs/dbraw/zinc/91/72/50/732917250.db2.gz FXPZKJXEHAQXMK-IAGOWNOFSA-N 1 3 352.910 2.726 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000666921867 732917254 /nfs/dbraw/zinc/91/72/54/732917254.db2.gz FXPZKJXEHAQXMK-IAGOWNOFSA-N 1 3 352.910 2.726 20 0 FFADHO C[NH2+]CCOc1cccc(C(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000884314613 733510409 /nfs/dbraw/zinc/51/04/09/733510409.db2.gz PJYUFXQCBSSBGC-UHFFFAOYSA-N 1 3 361.511 2.550 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccsc1 ZINC000891348490 734417401 /nfs/dbraw/zinc/41/74/01/734417401.db2.gz OYJYNCYDXQYWPI-DJIMGWMZSA-N 1 3 352.548 2.948 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCN(C)C1 ZINC000892513049 734568028 /nfs/dbraw/zinc/56/80/28/734568028.db2.gz ZAAJEQKVCGJBIL-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCN(C)C1 ZINC000892513049 734568031 /nfs/dbraw/zinc/56/80/31/734568031.db2.gz ZAAJEQKVCGJBIL-DLBZAZTESA-N 1 3 364.559 2.696 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000892917602 734622976 /nfs/dbraw/zinc/62/29/76/734622976.db2.gz JMYODLYMIDOMJY-UHFFFAOYSA-N 1 3 350.482 2.513 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1(F)F ZINC000894317017 734836329 /nfs/dbraw/zinc/83/63/29/734836329.db2.gz PZYKCGOOCDCGTA-IWCQGFGOSA-N 1 3 352.425 2.541 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1(F)F ZINC000894317017 734836330 /nfs/dbraw/zinc/83/63/30/734836330.db2.gz PZYKCGOOCDCGTA-IWCQGFGOSA-N 1 3 352.425 2.541 20 0 FFADHO [NH3+]CCCC[C@@H](NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1F ZINC000902407237 735942800 /nfs/dbraw/zinc/94/28/00/735942800.db2.gz XCUCLTZXXZANNW-KRWWSPQJSA-N 1 3 372.481 2.833 20 0 FFADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494722 736101887 /nfs/dbraw/zinc/10/18/87/736101887.db2.gz LYTHJWRIKCCNQW-JHJVBQTASA-N 1 3 354.292 2.693 20 0 FFADHO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903735579 736161232 /nfs/dbraw/zinc/16/12/32/736161232.db2.gz BROGETIVXSLOQU-HUUCEWRRSA-N 1 3 350.894 2.775 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905087693 736294264 /nfs/dbraw/zinc/29/42/64/736294264.db2.gz GNRCYIVLTPFFPE-CQSZACIVSA-N 1 3 370.362 2.665 20 0 FFADHO CC[C@](O)(CNCc1ccc(OC2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000905257708 736319235 /nfs/dbraw/zinc/31/92/35/736319235.db2.gz VTEOPHMXKCBXBX-KRWDZBQOSA-N 1 3 360.420 2.953 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760477808 736642393 /nfs/dbraw/zinc/64/23/93/736642393.db2.gz VBQRNOHYZIVYTM-UHFFFAOYSA-N 1 3 354.608 2.647 20 0 FFADHO CCN(CC)[C@@H](CNC(=S)NC1CC[NH+](C)CC1)c1ccsc1 ZINC000920309926 737899754 /nfs/dbraw/zinc/89/97/54/737899754.db2.gz DSPBIHZRBHERQJ-INIZCTEOSA-N 1 3 354.589 2.689 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(Cl)c3N)C2)[C@@H]1C(C)C ZINC000922395242 738137603 /nfs/dbraw/zinc/13/76/03/738137603.db2.gz RQMRRESDNZYFLG-FPAYPSAMSA-N 1 3 351.922 2.882 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(Cl)c3N)C2)[C@@H]1C(C)C ZINC000922395242 738137605 /nfs/dbraw/zinc/13/76/05/738137605.db2.gz RQMRRESDNZYFLG-FPAYPSAMSA-N 1 3 351.922 2.882 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499217 738291862 /nfs/dbraw/zinc/29/18/62/738291862.db2.gz LWWWQOAIVRJXEF-HZSPNIEDSA-N 1 3 355.885 2.743 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2cnc(Cl)s2)CC[N@@H+]1C ZINC000960007809 740607941 /nfs/dbraw/zinc/60/79/41/740607941.db2.gz IOKATTYSEXXNCX-VNHYZAJKSA-N 1 3 370.950 2.607 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2cnc(Cl)s2)CC[N@H+]1C ZINC000960007809 740607945 /nfs/dbraw/zinc/60/79/45/740607945.db2.gz IOKATTYSEXXNCX-VNHYZAJKSA-N 1 3 370.950 2.607 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC000961849995 740639018 /nfs/dbraw/zinc/63/90/18/740639018.db2.gz RXZHZFIUERYHGY-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC000961849995 740639022 /nfs/dbraw/zinc/63/90/22/740639022.db2.gz RXZHZFIUERYHGY-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO CN1CCN(c2ncccc2C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806133893 741042361 /nfs/dbraw/zinc/04/23/61/741042361.db2.gz DVWPLVVWAKXRLB-MRXNPFEDSA-N 1 3 357.889 2.659 20 0 FFADHO COc1cc(C)c([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000817972508 742225529 /nfs/dbraw/zinc/22/55/29/742225529.db2.gz MFLWNHCXHDACCG-YOEHRIQHSA-N 1 3 359.436 2.799 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000819264757 742364310 /nfs/dbraw/zinc/36/43/10/742364310.db2.gz DEWUVFQMCUVICP-YOEHRIQHSA-N 1 3 360.420 2.829 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000819264757 742364316 /nfs/dbraw/zinc/36/43/16/742364316.db2.gz DEWUVFQMCUVICP-YOEHRIQHSA-N 1 3 360.420 2.829 20 0 FFADHO Cc1nc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001029100755 742805245 /nfs/dbraw/zinc/80/52/45/742805245.db2.gz FHHZJOXKSOULLW-PMUMKWKESA-N 1 3 364.559 2.508 20 0 FFADHO Cc1nc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001029100755 742805254 /nfs/dbraw/zinc/80/52/54/742805254.db2.gz FHHZJOXKSOULLW-PMUMKWKESA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001033098680 742876741 /nfs/dbraw/zinc/87/67/41/742876741.db2.gz JPEODWJGYUIVLT-CEXWTWQISA-N 1 3 363.571 2.944 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001033098680 742876753 /nfs/dbraw/zinc/87/67/53/742876753.db2.gz JPEODWJGYUIVLT-CEXWTWQISA-N 1 3 363.571 2.944 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(C/C=C/Cl)C3)C2)CC[N@@H+]1C ZINC001045938441 743309039 /nfs/dbraw/zinc/30/90/39/743309039.db2.gz BDHFHBYCOHWRKW-UEDNXGLMSA-N 1 3 353.938 2.784 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(C/C=C/Cl)C3)C2)CC[N@H+]1C ZINC001045938441 743309049 /nfs/dbraw/zinc/30/90/49/743309049.db2.gz BDHFHBYCOHWRKW-UEDNXGLMSA-N 1 3 353.938 2.784 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000827441002 743576837 /nfs/dbraw/zinc/57/68/37/743576837.db2.gz OVPSLQOIQLYHFC-BBRMVZONSA-N 1 3 352.910 2.672 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000828961635 745147029 /nfs/dbraw/zinc/14/70/29/745147029.db2.gz SDYRHBPJZNMSFO-HZPDHXFCSA-N 1 3 350.894 2.520 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(Cl)n1 ZINC000830895872 745447009 /nfs/dbraw/zinc/44/70/09/745447009.db2.gz FGDFGHXGTIOPOX-IKGGRYGDSA-N 1 3 364.921 2.907 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc(Cl)n1 ZINC000830895872 745447012 /nfs/dbraw/zinc/44/70/12/745447012.db2.gz FGDFGHXGTIOPOX-IKGGRYGDSA-N 1 3 364.921 2.907 20 0 FFADHO C[NH+](C)CCCCNCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835036465 745936329 /nfs/dbraw/zinc/93/63/29/745936329.db2.gz KHLRXVAYXPSJCC-UHFFFAOYSA-N 1 3 368.547 2.868 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(CC[NH+](C)C)C2CCCC2)cc(Cl)n1 ZINC000843485804 747844010 /nfs/dbraw/zinc/84/40/10/747844010.db2.gz NTEMIBQXYDWLMB-INIZCTEOSA-N 1 3 352.910 2.766 20 0 FFADHO [NH3+]CCCCCCCN1CCN(c2ccc(Br)cn2)CC1 ZINC000844221340 747990107 /nfs/dbraw/zinc/99/01/07/747990107.db2.gz DRUUBEONCBTWCU-UHFFFAOYSA-N 1 3 355.324 2.875 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@]3(C)C[C@]3(F)Cl)CC2)CC1 ZINC000844934772 748140565 /nfs/dbraw/zinc/14/05/65/748140565.db2.gz FKRPGEPCLQIHPZ-QZTJIDSGSA-N 1 3 374.932 2.549 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846781107 748543624 /nfs/dbraw/zinc/54/36/24/748543624.db2.gz UBCWUPWJWGERTD-DLBZAZTESA-N 1 3 355.320 2.769 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846781107 748543631 /nfs/dbraw/zinc/54/36/31/748543631.db2.gz UBCWUPWJWGERTD-DLBZAZTESA-N 1 3 355.320 2.769 20 0 FFADHO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000851926117 749729094 /nfs/dbraw/zinc/72/90/94/749729094.db2.gz JOSXUHLCIRTBOE-VYDXJSESSA-N 1 3 362.451 2.814 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOCC)C1 ZINC001104802089 970865264 /nfs/dbraw/zinc/86/52/64/970865264.db2.gz AKOPBNBQXPRNQZ-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(Cl)n2)C1 ZINC001104809361 970872795 /nfs/dbraw/zinc/87/27/95/970872795.db2.gz GROGHWCDZHBERR-HZPDHXFCSA-N 1 3 366.937 2.651 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001104832873 970951899 /nfs/dbraw/zinc/95/18/99/970951899.db2.gz YLZYVZLZLHRSGD-SJLPKXTDSA-N 1 3 371.516 2.838 20 0 FFADHO CCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000652015752 971125978 /nfs/dbraw/zinc/12/59/78/971125978.db2.gz LBJBHLSKHIRDCT-DOIPELPJSA-N 1 3 355.526 2.745 20 0 FFADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000871783855 1013063037 /nfs/dbraw/zinc/06/30/37/1013063037.db2.gz HZFCPKRWOSGXJR-QGZVFWFLSA-N 1 3 366.469 2.895 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccc(F)cn2)C1 ZINC001104932916 971177017 /nfs/dbraw/zinc/17/70/17/971177017.db2.gz VMLOIEHVWXAAPJ-IAGOWNOFSA-N 1 3 364.509 2.527 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccc(F)cn2)C1 ZINC001104932916 971177026 /nfs/dbraw/zinc/17/70/26/971177026.db2.gz VMLOIEHVWXAAPJ-IAGOWNOFSA-N 1 3 364.509 2.527 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CC[NH2+]Cc1ccc(F)cc1F ZINC001105014120 971355685 /nfs/dbraw/zinc/35/56/85/971355685.db2.gz DAGWOBQYFQBNDR-NVXWUHKLSA-N 1 3 365.468 2.635 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(F)cc4)C[C@H]3C2)CC[N@@H+]1C ZINC001087972084 971411971 /nfs/dbraw/zinc/41/19/71/971411971.db2.gz KXNKWVVRPOQHFO-YXYSEUPNSA-N 1 3 373.516 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(F)cc4)C[C@H]3C2)CC[N@H+]1C ZINC001087972084 971411975 /nfs/dbraw/zinc/41/19/75/971411975.db2.gz KXNKWVVRPOQHFO-YXYSEUPNSA-N 1 3 373.516 2.836 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001105064576 971437980 /nfs/dbraw/zinc/43/79/80/971437980.db2.gz XPFWZEGOYABTFB-NVXWUHKLSA-N 1 3 366.937 2.649 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC2CCC2)C1 ZINC001105067162 971445236 /nfs/dbraw/zinc/44/52/36/971445236.db2.gz PRIUTUFALNXKHI-GGPKGHCWSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001105066727 971446283 /nfs/dbraw/zinc/44/62/83/971446283.db2.gz CVIJMONJSRIMKO-ZIAGYGMSSA-N 1 3 350.334 2.720 20 0 FFADHO C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](c2nnc[n-]2)c2ccccc2)cc1 ZINC000648810332 1013084346 /nfs/dbraw/zinc/08/43/46/1013084346.db2.gz IUICUXRVWKWZGG-FQEVSTJZSA-N 1 3 365.481 2.667 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC4CC5(CCC5)C4)CC[C@@H]3C2)CCC1 ZINC001087993067 971737440 /nfs/dbraw/zinc/73/74/40/971737440.db2.gz YBFCWFBBIURJDL-MOPGFXCFSA-N 1 3 359.558 2.831 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CC4CC5(CCC5)C4)CC[C@@H]3C2)CCC1 ZINC001087993067 971737447 /nfs/dbraw/zinc/73/74/47/971737447.db2.gz YBFCWFBBIURJDL-MOPGFXCFSA-N 1 3 359.558 2.831 20 0 FFADHO COC1CCC(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000893354341 971786532 /nfs/dbraw/zinc/78/65/32/971786532.db2.gz JCUWTARMRMARJD-UHFFFAOYSA-N 1 3 373.541 2.807 20 0 FFADHO CCc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]3C2)c1 ZINC001088010781 971843091 /nfs/dbraw/zinc/84/30/91/971843091.db2.gz KBEABHMPUUSHEK-QHAWAJNXSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]3C2)c1 ZINC001088010781 971843095 /nfs/dbraw/zinc/84/30/95/971843095.db2.gz KBEABHMPUUSHEK-QHAWAJNXSA-N 1 3 357.542 2.870 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)c(F)c3)CC[C@@H]2C1)N(C)C ZINC001088011417 971844671 /nfs/dbraw/zinc/84/46/71/971844671.db2.gz MGGVUODNFVQMCL-WSTZPKSXSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)c(F)c3)CC[C@@H]2C1)N(C)C ZINC001088011417 971844677 /nfs/dbraw/zinc/84/46/77/971844677.db2.gz MGGVUODNFVQMCL-WSTZPKSXSA-N 1 3 361.505 2.755 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000660567978 972248425 /nfs/dbraw/zinc/24/84/25/972248425.db2.gz NHNHLFLBDDZWGY-UXHICEINSA-N 1 3 372.557 2.723 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000660567978 972248429 /nfs/dbraw/zinc/24/84/29/972248429.db2.gz NHNHLFLBDDZWGY-UXHICEINSA-N 1 3 372.557 2.723 20 0 FFADHO Cn1ccc(N2CCC[C@H](N3CCC[C@@H](C[C@H]([NH3+])C4CCCC4)C3)C2=O)n1 ZINC000872157256 1013158315 /nfs/dbraw/zinc/15/83/15/1013158315.db2.gz NWEFRZHRAFMDNM-WDSOQIARSA-N 1 3 373.545 2.535 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652137900 972382528 /nfs/dbraw/zinc/38/25/28/972382528.db2.gz ZZCVEQFUHRDHPT-SAJDGTNDSA-N 1 3 356.514 2.592 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(CO)c(C)cc3C)CC2)CC1 ZINC000655020782 959291090 /nfs/dbraw/zinc/29/10/90/959291090.db2.gz MNEMYEYDWPHQKI-UHFFFAOYSA-N 1 3 373.541 2.931 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc3ccccc3c1)C2 ZINC000660653300 972442284 /nfs/dbraw/zinc/44/22/84/972442284.db2.gz APXOHVNJTOKQDY-IFMALSPDSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc3ccccc3c1)C2 ZINC000660653300 972442287 /nfs/dbraw/zinc/44/22/87/972442287.db2.gz APXOHVNJTOKQDY-IFMALSPDSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)CO[C@@H]1CCCc3ccccc31)C2 ZINC000660654300 972443077 /nfs/dbraw/zinc/44/30/77/972443077.db2.gz GMTVECUAQXJQRO-CEMLEFRQSA-N 1 3 358.526 2.859 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)CO[C@@H]1CCCc3ccccc31)C2 ZINC000660654300 972443080 /nfs/dbraw/zinc/44/30/80/972443080.db2.gz GMTVECUAQXJQRO-CEMLEFRQSA-N 1 3 358.526 2.859 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]4[C@@H](C(F)(F)F)[C@H]43)CC2)CC1 ZINC000655392136 959837406 /nfs/dbraw/zinc/83/74/06/959837406.db2.gz HEELRSWSDMVLNT-BBWFWOEESA-N 1 3 373.463 2.592 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)C1 ZINC001208955378 959891739 /nfs/dbraw/zinc/89/17/39/959891739.db2.gz UBRVHESUYWYUSG-LJQANCHMSA-N 1 3 366.509 2.924 20 0 FFADHO OC1(C[NH2+]C[C@@H]2Cc3ccccc3O2)CCN(Cc2ccccc2)CC1 ZINC000397509187 961051081 /nfs/dbraw/zinc/05/10/81/961051081.db2.gz JLYZJIULULIRFS-FQEVSTJZSA-N 1 3 352.478 2.607 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N)Cc2ccccc2C1)c1ccccc1 ZINC000649268543 1013310285 /nfs/dbraw/zinc/31/02/85/1013310285.db2.gz QBRYZQGDZAFXKW-FQEVSTJZSA-N 1 3 351.494 2.682 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001104290781 962324651 /nfs/dbraw/zinc/32/46/51/962324651.db2.gz CZVIQNSAQHFUSL-ZTNFWEORSA-N 1 3 361.505 2.740 20 0 FFADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)s1 ZINC001104322388 963287805 /nfs/dbraw/zinc/28/78/05/963287805.db2.gz GKKBOFXTNRYQJI-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ccc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC000960641900 1013437326 /nfs/dbraw/zinc/43/73/26/1013437326.db2.gz NXFXUOITWGASAU-BHIYHBOVSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC000960641900 1013437328 /nfs/dbraw/zinc/43/73/28/1013437328.db2.gz NXFXUOITWGASAU-BHIYHBOVSA-N 1 3 361.505 2.897 20 0 FFADHO COc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)ccc1F ZINC000873243498 1013442230 /nfs/dbraw/zinc/44/22/30/1013442230.db2.gz LXWMMPVADKVFHC-ZDUSSCGKSA-N 1 3 355.417 2.725 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)c2)nn1 ZINC000873244042 1013444639 /nfs/dbraw/zinc/44/46/39/1013444639.db2.gz PNCYYCUSHUNTCZ-IBGZPJMESA-N 1 3 352.417 2.501 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CSCCc4ccccc43)c2)nn1 ZINC000873247627 1013447537 /nfs/dbraw/zinc/44/75/37/1013447537.db2.gz QSZGZVFHLGWLAV-HXUWFJFHSA-N 1 3 365.506 2.846 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@H]2CCCCO2)C1 ZINC001104362813 964085738 /nfs/dbraw/zinc/08/57/38/964085738.db2.gz LGPWFBIWJYWKSU-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2oc(C)nc2C)C1 ZINC001104363007 964089717 /nfs/dbraw/zinc/08/97/17/964089717.db2.gz URIJWGDTVKHKDV-RHSMWYFYSA-N 1 3 364.534 2.596 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2oc(C)nc2C)C1 ZINC001104363007 964089731 /nfs/dbraw/zinc/08/97/31/964089731.db2.gz URIJWGDTVKHKDV-RHSMWYFYSA-N 1 3 364.534 2.596 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)N2CCCC2)cc1 ZINC000891458781 964344401 /nfs/dbraw/zinc/34/44/01/964344401.db2.gz DNOCBBDZYYEJDG-AABGKKOBSA-N 1 3 356.514 2.668 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000891534683 964438930 /nfs/dbraw/zinc/43/89/30/964438930.db2.gz OPILXKHRAQSRMX-WOJBJXKFSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000051236011 964441886 /nfs/dbraw/zinc/44/18/86/964441886.db2.gz CWZVEQZXBWSUMP-OAHLLOKOSA-N 1 3 362.493 2.745 20 0 FFADHO COc1cccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)N2CCCC2)c1 ZINC000891553672 964477974 /nfs/dbraw/zinc/47/79/74/964477974.db2.gz WMJONLMFXFXFHN-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO COc1cccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)c1 ZINC000891553672 964477981 /nfs/dbraw/zinc/47/79/81/964477981.db2.gz WMJONLMFXFXFHN-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087165957 964478009 /nfs/dbraw/zinc/47/80/09/964478009.db2.gz SBOAVRISEBITKZ-HOJAQTOUSA-N 1 3 365.562 2.503 20 0 FFADHO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)o1 ZINC001279108951 964497600 /nfs/dbraw/zinc/49/76/00/964497600.db2.gz LQNBUFVDPAZIGU-IYBDPMFKSA-N 1 3 357.454 2.738 20 0 FFADHO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)o1 ZINC001279108951 964497608 /nfs/dbraw/zinc/49/76/08/964497608.db2.gz LQNBUFVDPAZIGU-IYBDPMFKSA-N 1 3 357.454 2.738 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](CNCc2ccccn2)C1 ZINC001087194414 965729105 /nfs/dbraw/zinc/72/91/05/965729105.db2.gz TYSTVGMPLSWDRX-QMMLZNLJSA-N 1 3 370.541 2.673 20 0 FFADHO CC(C)n1ccnc1CNCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000657307282 966031704 /nfs/dbraw/zinc/03/17/04/966031704.db2.gz MMLUAEYKLQRPHF-HXUWFJFHSA-N 1 3 355.530 2.932 20 0 FFADHO CC(C)n1ccnc1CNCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000657307282 966031717 /nfs/dbraw/zinc/03/17/17/966031717.db2.gz MMLUAEYKLQRPHF-HXUWFJFHSA-N 1 3 355.530 2.932 20 0 FFADHO FC(F)(F)Cn1ccnc1CNCC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613075 966958995 /nfs/dbraw/zinc/95/89/95/966958995.db2.gz VTNUHYUQQPHPIZ-UHFFFAOYSA-N 1 3 367.419 2.842 20 0 FFADHO FC(F)(F)Cn1ccnc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613075 966958998 /nfs/dbraw/zinc/95/89/98/966958998.db2.gz VTNUHYUQQPHPIZ-UHFFFAOYSA-N 1 3 367.419 2.842 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]21 ZINC001075785366 967330234 /nfs/dbraw/zinc/33/02/34/967330234.db2.gz ZUMZXCFNIZKFRH-QXAKKESOSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21 ZINC001075785366 967330239 /nfs/dbraw/zinc/33/02/39/967330239.db2.gz ZUMZXCFNIZKFRH-QXAKKESOSA-N 1 3 361.555 2.696 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798816 967651990 /nfs/dbraw/zinc/65/19/90/967651990.db2.gz PJNQYOARXDHQEN-SESVDKBCSA-N 1 3 371.500 2.509 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001029314854 967688415 /nfs/dbraw/zinc/68/84/15/967688415.db2.gz HOEMVOBPKGVETF-DFBDCSAJSA-N 1 3 369.500 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC001029314854 967688424 /nfs/dbraw/zinc/68/84/24/967688424.db2.gz HOEMVOBPKGVETF-DFBDCSAJSA-N 1 3 369.500 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001023372761 967748439 /nfs/dbraw/zinc/74/84/39/967748439.db2.gz XCXJKJNCYGTZBR-YZGWKJHDSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC001023372761 967748448 /nfs/dbraw/zinc/74/84/48/967748448.db2.gz XCXJKJNCYGTZBR-YZGWKJHDSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CC(NCC2(N3CCCC3)COC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012922 967946880 /nfs/dbraw/zinc/94/68/80/967946880.db2.gz FWIQMIOGIHJLMO-RTBURBONSA-N 1 3 357.542 2.882 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCCC2)c1 ZINC001087246007 968006990 /nfs/dbraw/zinc/00/69/90/968006990.db2.gz VBZRQKXKWYQQFO-MJGOQNOKSA-N 1 3 361.505 2.947 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1ncccc1C ZINC001087578590 968234831 /nfs/dbraw/zinc/23/48/31/968234831.db2.gz DDVUEPYDOJAJGD-RAUXBKROSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1ncccc1C ZINC001087578590 968234837 /nfs/dbraw/zinc/23/48/37/968234837.db2.gz DDVUEPYDOJAJGD-RAUXBKROSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC(C)C)C1)N(C)C ZINC001112167556 968958818 /nfs/dbraw/zinc/95/88/18/968958818.db2.gz RMRBIMLFSWJPBC-KFWWJZLASA-N 1 3 351.457 2.742 20 0 FFADHO c1cc(-c2noc([C@H]3CN4CCC[C@@H]4CO3)n2)ccc1C[NH+]1CCCC1 ZINC000923781933 969325949 /nfs/dbraw/zinc/32/59/49/969325949.db2.gz FCSSMAXJLMVOGT-QZTJIDSGSA-N 1 3 354.454 2.868 20 0 FFADHO CCCN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000892577476 969510518 /nfs/dbraw/zinc/51/05/18/969510518.db2.gz JGUUUUZTMUZDRH-VAMGGRTRSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892588451 969530241 /nfs/dbraw/zinc/53/02/41/969530241.db2.gz DEZLITCWNAXZOL-WJMWBRGCSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659031870 969646256 /nfs/dbraw/zinc/64/62/56/969646256.db2.gz OXHISDGVPHIYIU-SFHVURJKSA-N 1 3 360.502 2.686 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659031870 969646260 /nfs/dbraw/zinc/64/62/60/969646260.db2.gz OXHISDGVPHIYIU-SFHVURJKSA-N 1 3 360.502 2.686 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659043391 969660508 /nfs/dbraw/zinc/66/05/08/969660508.db2.gz ZQOHNYGEQLASEJ-VQIMIIECSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)cc2)CC1 ZINC000874845989 1013916128 /nfs/dbraw/zinc/91/61/28/1013916128.db2.gz XBIATCFFHFHLDR-NHCUHLMSSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)cc2)CC1 ZINC000874845989 1013916132 /nfs/dbraw/zinc/91/61/32/1013916132.db2.gz XBIATCFFHFHLDR-NHCUHLMSSA-N 1 3 370.541 2.526 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000659426868 969917746 /nfs/dbraw/zinc/91/77/46/969917746.db2.gz FVWGXVQWWQAOGY-RTWAWAEBSA-N 1 3 372.557 2.581 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[NH+](C)C)cc1 ZINC000659492240 969981833 /nfs/dbraw/zinc/98/18/33/969981833.db2.gz AJYBWLJCDCMQBT-GUDVDZBRSA-N 1 3 364.509 2.569 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2cc(C)no2)C1)[NH+](CC)CC ZINC001104667497 970068858 /nfs/dbraw/zinc/06/88/58/970068858.db2.gz PHFOBZJGMAPODA-SZVBFZGTSA-N 1 3 364.534 2.678 20 0 FFADHO CCCCOCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104682217 970096263 /nfs/dbraw/zinc/09/62/63/970096263.db2.gz HQNGJXFRBLIHQO-RTBURBONSA-N 1 3 367.578 2.609 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020534 970133257 /nfs/dbraw/zinc/13/32/57/970133257.db2.gz MOIPOIYBPDOPLR-BJLQDIEVSA-N 1 3 353.526 2.971 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C/C=C\c1ccccc1 ZINC001104728886 970181579 /nfs/dbraw/zinc/18/15/79/970181579.db2.gz FZTPXNYWAGUAQW-KRWUTGMMSA-N 1 3 352.482 2.740 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892808237 970300865 /nfs/dbraw/zinc/30/08/65/970300865.db2.gz MHPVFPRTLJWOID-OAQYLSRUSA-N 1 3 366.509 2.604 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1cc2ccccc2o1 ZINC001087828212 970452073 /nfs/dbraw/zinc/45/20/73/970452073.db2.gz DORWKRUBDFRLRD-YTQUADARSA-N 1 3 355.482 2.854 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1cc2ccccc2o1 ZINC001087828212 970452075 /nfs/dbraw/zinc/45/20/75/970452075.db2.gz DORWKRUBDFRLRD-YTQUADARSA-N 1 3 355.482 2.854 20 0 FFADHO Cc1ccc(C2=NO[C@H](C[NH2+]C3CCN(CC(C)(C)O)CC3)C2)cc1C ZINC000895503578 970674808 /nfs/dbraw/zinc/67/48/08/970674808.db2.gz WRLPUPPSLVPUFZ-IBGZPJMESA-N 1 3 359.514 2.621 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c1 ZINC001088106259 972810524 /nfs/dbraw/zinc/81/05/24/972810524.db2.gz SFHANTWQOLSPIQ-TYPHKJRUSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c1 ZINC001088106259 972810536 /nfs/dbraw/zinc/81/05/36/972810536.db2.gz SFHANTWQOLSPIQ-TYPHKJRUSA-N 1 3 355.526 2.617 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)c(F)c3)CC[C@@H]2C1)N(C)C ZINC001088109574 972839478 /nfs/dbraw/zinc/83/94/78/972839478.db2.gz MGGVUODNFVQMCL-HBFSDRIKSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)c(F)c3)CC[C@@H]2C1)N(C)C ZINC001088109574 972839486 /nfs/dbraw/zinc/83/94/86/972839486.db2.gz MGGVUODNFVQMCL-HBFSDRIKSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121530 972919966 /nfs/dbraw/zinc/91/99/66/972919966.db2.gz LODVMEPGEGYVCY-WSTZPKSXSA-N 1 3 352.482 2.884 20 0 FFADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121530 972919974 /nfs/dbraw/zinc/91/99/74/972919974.db2.gz LODVMEPGEGYVCY-WSTZPKSXSA-N 1 3 352.482 2.884 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]2C1 ZINC001088121556 972922122 /nfs/dbraw/zinc/92/21/22/972922122.db2.gz MHNWOOQVPARTMG-MJGOQNOKSA-N 1 3 364.493 2.810 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]2C1 ZINC001088121556 972922129 /nfs/dbraw/zinc/92/21/29/972922129.db2.gz MHNWOOQVPARTMG-MJGOQNOKSA-N 1 3 364.493 2.810 20 0 FFADHO CNC(=O)NC1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056266 973107278 /nfs/dbraw/zinc/10/72/78/973107278.db2.gz FAFBLBNLGDZGAJ-XEMDLRDOSA-N 1 3 358.530 2.821 20 0 FFADHO CNC(=O)NC1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056266 973107281 /nfs/dbraw/zinc/10/72/81/973107281.db2.gz FAFBLBNLGDZGAJ-XEMDLRDOSA-N 1 3 358.530 2.821 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC000660958574 973232744 /nfs/dbraw/zinc/23/27/44/973232744.db2.gz JJMZDAHWMJTZOU-RTWAWAEBSA-N 1 3 370.541 2.853 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000897217695 973453751 /nfs/dbraw/zinc/45/37/51/973453751.db2.gz FVKWHLOOZUIFHD-PZJWPPBQSA-N 1 3 373.541 2.925 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651705544 973574179 /nfs/dbraw/zinc/57/41/79/973574179.db2.gz WUWSPBJSSQSVAH-LJQANCHMSA-N 1 3 369.557 2.852 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)Cc3cncs3)CC2)CC[N@@H+]1C ZINC001482505128 974166920 /nfs/dbraw/zinc/16/69/20/974166920.db2.gz ZORCWDFIPOATOX-CRAIPNDOSA-N 1 3 364.559 2.544 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)Cc3cncs3)CC2)CC[N@H+]1C ZINC001482505128 974166927 /nfs/dbraw/zinc/16/69/27/974166927.db2.gz ZORCWDFIPOATOX-CRAIPNDOSA-N 1 3 364.559 2.544 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662883440 974474578 /nfs/dbraw/zinc/47/45/78/974474578.db2.gz KAKIZMHIJNSXFY-HXUWFJFHSA-N 1 3 365.477 2.607 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652179499 974682526 /nfs/dbraw/zinc/68/25/26/974682526.db2.gz PWFNPCLDRXUWSY-FOIQADDNSA-N 1 3 370.472 2.604 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccccc1C[NH2+]C)c1ccco1 ZINC000652190873 974689393 /nfs/dbraw/zinc/68/93/93/974689393.db2.gz BDGLROMESLZMOM-CRAIPNDOSA-N 1 3 358.486 2.928 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315075 974821709 /nfs/dbraw/zinc/82/17/09/974821709.db2.gz MTTPMEOKJYDDTJ-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653155703 1014239981 /nfs/dbraw/zinc/23/99/81/1014239981.db2.gz CMEOUFRSTNLGHQ-UXHICEINSA-N 1 3 356.514 2.686 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCF)C2)C1 ZINC001112529728 975355194 /nfs/dbraw/zinc/35/51/94/975355194.db2.gz MFCPVBCKJXRVOY-FFZOFVMBSA-N 1 3 371.516 2.777 20 0 FFADHO C[C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000424029921 975365499 /nfs/dbraw/zinc/36/54/99/975365499.db2.gz PZHQHHJCGVZMSB-AVRDEDQJSA-N 1 3 355.526 2.684 20 0 FFADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662298169 975410972 /nfs/dbraw/zinc/41/09/72/975410972.db2.gz UTKBDTMQYDMXQR-HXUWFJFHSA-N 1 3 373.541 2.592 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296853 975414025 /nfs/dbraw/zinc/41/40/25/975414025.db2.gz NXZADIGCVBVKQT-IMFGXOCKSA-N 1 3 371.525 2.727 20 0 FFADHO COCCNC(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000662327051 975449420 /nfs/dbraw/zinc/44/94/20/975449420.db2.gz OPZNJBUUGYKEBH-UHFFFAOYSA-N 1 3 373.541 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCOC2CCCCCC2)CC[N@@H+]1C ZINC001027894188 975741221 /nfs/dbraw/zinc/74/12/21/975741221.db2.gz KGPKJUKFUHHVIO-WSTZPKSXSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCOC2CCCCCC2)CC[N@H+]1C ZINC001027894188 975741232 /nfs/dbraw/zinc/74/12/32/975741232.db2.gz KGPKJUKFUHHVIO-WSTZPKSXSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@H](F)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531586 975946967 /nfs/dbraw/zinc/94/69/67/975946967.db2.gz GPWFDAPQQLBPPR-ZWOKBUDYSA-N 1 3 355.542 2.931 20 0 FFADHO CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001087431558 976043965 /nfs/dbraw/zinc/04/39/65/976043965.db2.gz WHAGANJJERGROT-WOJBJXKFSA-N 1 3 355.526 2.999 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000663600833 976405105 /nfs/dbraw/zinc/40/51/05/976405105.db2.gz YMLVZVZZLZQLLH-YLJYHZDGSA-N 1 3 372.513 2.591 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000663600833 976405113 /nfs/dbraw/zinc/40/51/13/976405113.db2.gz YMLVZVZZLZQLLH-YLJYHZDGSA-N 1 3 372.513 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cnccc2C)CC3)CC[N@@H+]1C ZINC000990762359 976963413 /nfs/dbraw/zinc/96/34/13/976963413.db2.gz MDMPVXVCRYJFDR-CUXKYVRBSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cnccc2C)CC3)CC[N@H+]1C ZINC000990762359 976963422 /nfs/dbraw/zinc/96/34/22/976963422.db2.gz MDMPVXVCRYJFDR-CUXKYVRBSA-N 1 3 370.541 2.734 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)C1 ZINC001211707559 977318940 /nfs/dbraw/zinc/31/89/40/977318940.db2.gz ZIIFGZQMPQAHQQ-IBOZXXSSSA-N 1 3 361.917 2.665 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)C1 ZINC001211707559 977318948 /nfs/dbraw/zinc/31/89/48/977318948.db2.gz ZIIFGZQMPQAHQQ-IBOZXXSSSA-N 1 3 361.917 2.665 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001076241473 979257707 /nfs/dbraw/zinc/25/77/07/979257707.db2.gz QAEVGQHABROURR-BULFRSBZSA-N 1 3 367.537 2.692 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001076241473 979257713 /nfs/dbraw/zinc/25/77/13/979257713.db2.gz QAEVGQHABROURR-BULFRSBZSA-N 1 3 367.537 2.692 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076462344 979535841 /nfs/dbraw/zinc/53/58/41/979535841.db2.gz QUQYJHUOSYVYRA-XKGZKEIXSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076462344 979535851 /nfs/dbraw/zinc/53/58/51/979535851.db2.gz QUQYJHUOSYVYRA-XKGZKEIXSA-N 1 3 359.489 2.509 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H](C)[C@@H]3CC[NH3+])cc2)CC1 ZINC000904280839 980233845 /nfs/dbraw/zinc/23/38/45/980233845.db2.gz BLPSWKASUMXQBZ-PXNSSMCTSA-N 1 3 373.545 2.810 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000907162434 981203801 /nfs/dbraw/zinc/20/38/01/981203801.db2.gz ZQPOUDYYKWRAAM-GOSISDBHSA-N 1 3 359.514 2.704 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000907162434 981203806 /nfs/dbraw/zinc/20/38/06/981203806.db2.gz ZQPOUDYYKWRAAM-GOSISDBHSA-N 1 3 359.514 2.704 20 0 FFADHO CO[C@@H]1CN(CCCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213648 981339511 /nfs/dbraw/zinc/33/95/11/981339511.db2.gz PDUBJRNJLMBIFG-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO Cc1ccccc1-n1nccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707250 1014747157 /nfs/dbraw/zinc/74/71/57/1014747157.db2.gz BUTGTTVKJKCDPV-UEXGIBASSA-N 1 3 354.498 2.899 20 0 FFADHO C[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000237526760 981676757 /nfs/dbraw/zinc/67/67/57/981676757.db2.gz DLKNLOTYYUICBV-IBGZPJMESA-N 1 3 365.521 2.945 20 0 FFADHO C[C@@H](O)C1CCN(CC(C[NH+]2CCC([C@@H](C)O)CC2)C2CCCC2)CC1 ZINC000878096419 1014860256 /nfs/dbraw/zinc/86/02/56/1014860256.db2.gz QXBTZXIQLFWAGV-QZTJIDSGSA-N 1 3 366.590 2.978 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000651104668 1014983685 /nfs/dbraw/zinc/98/36/85/1014983685.db2.gz WMBRYLXDHWVMCR-CMKODMSKSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000651104668 1014983695 /nfs/dbraw/zinc/98/36/95/1014983695.db2.gz WMBRYLXDHWVMCR-CMKODMSKSA-N 1 3 371.525 2.716 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000912401101 984028712 /nfs/dbraw/zinc/02/87/12/984028712.db2.gz AXYGRLQAMRGHTM-HXUWFJFHSA-N 1 3 358.530 2.532 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000912401101 984028720 /nfs/dbraw/zinc/02/87/20/984028720.db2.gz AXYGRLQAMRGHTM-HXUWFJFHSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@@H]1CN(Cc2ccc(O)c(I)c2)CCC[C@H]1C[NH3+] ZINC001206012946 1032107859 /nfs/dbraw/zinc/10/78/59/1032107859.db2.gz OILOYSRCUPIXEY-YPMHNXCESA-N 1 3 374.266 2.804 20 0 FFADHO O=C(NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1)c1ccccc1F ZINC001168395136 984471890 /nfs/dbraw/zinc/47/18/90/984471890.db2.gz MVRWXJZYMLEGDD-UHFFFAOYSA-N 1 3 359.489 2.894 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2 ZINC001107424159 984532135 /nfs/dbraw/zinc/53/21/35/984532135.db2.gz AIKXGFRVQVNNJP-ZBNIVXFGSA-N 1 3 359.917 2.780 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001107424159 984532140 /nfs/dbraw/zinc/53/21/40/984532140.db2.gz AIKXGFRVQVNNJP-ZBNIVXFGSA-N 1 3 359.917 2.780 20 0 FFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CC(F)(F)C2)CC3)CCC1 ZINC001107436707 984538156 /nfs/dbraw/zinc/53/81/56/984538156.db2.gz MICRSMRIULIYIS-SJLPKXTDSA-N 1 3 369.500 2.877 20 0 FFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC(F)(F)C2)CC3)CCC1 ZINC001107436707 984538164 /nfs/dbraw/zinc/53/81/64/984538164.db2.gz MICRSMRIULIYIS-SJLPKXTDSA-N 1 3 369.500 2.877 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438647 984540063 /nfs/dbraw/zinc/54/00/63/984540063.db2.gz FYXLHFQQAXBJBG-TZIWHRDSSA-N 1 3 365.562 2.648 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438647 984540067 /nfs/dbraw/zinc/54/00/67/984540067.db2.gz FYXLHFQQAXBJBG-TZIWHRDSSA-N 1 3 365.562 2.648 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1cc(C)no1)CC2 ZINC001107457705 984563238 /nfs/dbraw/zinc/56/32/38/984563238.db2.gz LDBOMQXKJJVQSS-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1cc(C)no1)CC2 ZINC001107457705 984563241 /nfs/dbraw/zinc/56/32/41/984563241.db2.gz LDBOMQXKJJVQSS-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001107564357 984708928 /nfs/dbraw/zinc/70/89/28/984708928.db2.gz RXQFWUJEASSWJJ-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001107564357 984708931 /nfs/dbraw/zinc/70/89/31/984708931.db2.gz RXQFWUJEASSWJJ-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669552639 984771306 /nfs/dbraw/zinc/77/13/06/984771306.db2.gz LGUVWDMUQYXIIV-HLAWJBBLSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC1CCCC1 ZINC001088860606 985084261 /nfs/dbraw/zinc/08/42/61/985084261.db2.gz TTXDEIICDVSGBH-OXFYSEKESA-N 1 3 353.526 2.968 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC1CCCC1 ZINC001088860606 985084275 /nfs/dbraw/zinc/08/42/75/985084275.db2.gz TTXDEIICDVSGBH-OXFYSEKESA-N 1 3 353.526 2.968 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC001089061107 986146020 /nfs/dbraw/zinc/14/60/20/986146020.db2.gz YDTFPYOYUYSFPK-KPFFTGBYSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1C[C@@H]1CCCCO1 ZINC001089061107 986146023 /nfs/dbraw/zinc/14/60/23/986146023.db2.gz YDTFPYOYUYSFPK-KPFFTGBYSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H](NCc1c2c(nn1C)CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921689044 986688830 /nfs/dbraw/zinc/68/88/30/986688830.db2.gz AYGQHEICDOGOSB-OAHLLOKOSA-N 1 3 371.504 2.651 20 0 FFADHO COc1ccc(C(C)C)cc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000655938122 986709740 /nfs/dbraw/zinc/70/97/40/986709740.db2.gz NIRRIDXDOOKMOX-YLJYHZDGSA-N 1 3 373.541 2.899 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430279 986765580 /nfs/dbraw/zinc/76/55/80/986765580.db2.gz HLUKMICAIVUGDX-XUVXKRRUSA-N 1 3 365.562 2.647 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430279 986765590 /nfs/dbraw/zinc/76/55/90/986765590.db2.gz HLUKMICAIVUGDX-XUVXKRRUSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000672754113 987576340 /nfs/dbraw/zinc/57/63/40/987576340.db2.gz PNEODKMANDAKEU-UXHICEINSA-N 1 3 360.546 2.881 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCC(C)(C)N1CCc2ccccc2C1 ZINC000914562378 987789928 /nfs/dbraw/zinc/78/99/28/987789928.db2.gz ONFNIVRREWFXGD-IBGZPJMESA-N 1 3 374.598 2.772 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCC(C)(C)N1CCc2ccccc2C1 ZINC000914562378 987789937 /nfs/dbraw/zinc/78/99/37/987789937.db2.gz ONFNIVRREWFXGD-IBGZPJMESA-N 1 3 374.598 2.772 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651705543 1015336037 /nfs/dbraw/zinc/33/60/37/1015336037.db2.gz WUWSPBJSSQSVAH-IBGZPJMESA-N 1 3 369.557 2.852 20 0 FFADHO COCC[N@@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)CC1CC[NH+](C)CC1 ZINC000879125756 1015374232 /nfs/dbraw/zinc/37/42/32/1015374232.db2.gz IBFMDEBVOOJEAX-UHFFFAOYSA-N 1 3 374.481 2.597 20 0 FFADHO COCC[N@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)CC1CC[NH+](C)CC1 ZINC000879125756 1015374240 /nfs/dbraw/zinc/37/42/40/1015374240.db2.gz IBFMDEBVOOJEAX-UHFFFAOYSA-N 1 3 374.481 2.597 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)[C@@H]1C(C)C ZINC000922394941 988543791 /nfs/dbraw/zinc/54/37/91/988543791.db2.gz ZFBFGDDLHQFAPZ-UBBRYJJRSA-N 1 3 374.525 2.807 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)[C@@H]1C(C)C ZINC000922394941 988543796 /nfs/dbraw/zinc/54/37/96/988543796.db2.gz ZFBFGDDLHQFAPZ-UBBRYJJRSA-N 1 3 374.525 2.807 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(-c4ccccc4)c3)C2)[C@H]1C(C)C ZINC000922392513 988552541 /nfs/dbraw/zinc/55/25/41/988552541.db2.gz MALHVIJKGNOLJO-YSFYHYPLSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(-c4ccccc4)c3)C2)[C@H]1C(C)C ZINC000922392513 988552550 /nfs/dbraw/zinc/55/25/50/988552550.db2.gz MALHVIJKGNOLJO-YSFYHYPLSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@@H]1C(C)C ZINC000922396620 988566113 /nfs/dbraw/zinc/56/61/13/988566113.db2.gz YRQOIIADEOXTAD-PSWRPDDJSA-N 1 3 357.542 2.920 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@@H]1C(C)C ZINC000922396620 988566122 /nfs/dbraw/zinc/56/61/22/988566122.db2.gz YRQOIIADEOXTAD-PSWRPDDJSA-N 1 3 357.542 2.920 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](CNCc2csc(C)n2)[C@H](C)C1)[NH+](CC)CC ZINC001106660506 988604000 /nfs/dbraw/zinc/60/40/00/988604000.db2.gz PPZNFNQYSBFYNW-KYJSFNMBSA-N 1 3 366.575 2.756 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000915681455 988849737 /nfs/dbraw/zinc/84/97/37/988849737.db2.gz WBWDZSRDSRVFNZ-UYAOXDASSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000915681455 988849753 /nfs/dbraw/zinc/84/97/53/988849753.db2.gz WBWDZSRDSRVFNZ-UYAOXDASSA-N 1 3 371.529 2.577 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCCO2)[C@H](C)C1 ZINC001106775648 989019923 /nfs/dbraw/zinc/01/99/23/989019923.db2.gz VSLDAMIXXWVKBD-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1(C)C ZINC000186730189 989151901 /nfs/dbraw/zinc/15/19/01/989151901.db2.gz QSTKOIZLNMIJNR-GHTZIAJQSA-N 1 3 361.530 2.677 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000652193056 1015494057 /nfs/dbraw/zinc/49/40/57/1015494057.db2.gz UJBHQWBHVHIWAG-LAUBAEHRSA-N 1 3 366.509 2.868 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001033833010 989746734 /nfs/dbraw/zinc/74/67/34/989746734.db2.gz CNKBJRUGEWIPMC-VOQZNFBZSA-N 1 3 369.553 2.938 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001033833010 989746737 /nfs/dbraw/zinc/74/67/37/989746737.db2.gz CNKBJRUGEWIPMC-VOQZNFBZSA-N 1 3 369.553 2.938 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001034215023 989972851 /nfs/dbraw/zinc/97/28/51/989972851.db2.gz VBUFZEXCFKHZMV-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001034215023 989972857 /nfs/dbraw/zinc/97/28/57/989972857.db2.gz VBUFZEXCFKHZMV-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO CCCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)[C@H]1CCN(C)C1 ZINC000649000777 990029619 /nfs/dbraw/zinc/02/96/19/990029619.db2.gz BVZNMQSGBKGUBC-NRFANRHFSA-N 1 3 372.557 2.773 20 0 FFADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652346685 1015533771 /nfs/dbraw/zinc/53/37/71/1015533771.db2.gz DRVMAMMUJSKJCO-KZEVZHLLSA-N 1 3 373.541 2.513 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000917004456 990090033 /nfs/dbraw/zinc/09/00/33/990090033.db2.gz VTYYNHDYFRAAHM-FXAWDEMLSA-N 1 3 355.482 2.768 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C1(c2ccccc2)CCCC1 ZINC000675747588 990369115 /nfs/dbraw/zinc/36/91/15/990369115.db2.gz RMVPSYJGDCROIH-NRFANRHFSA-N 1 3 373.585 2.867 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000919796741 990733779 /nfs/dbraw/zinc/73/37/79/990733779.db2.gz KKFYIUSJJGUVTO-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000919796741 990733782 /nfs/dbraw/zinc/73/37/82/990733782.db2.gz KKFYIUSJJGUVTO-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000921274221 991028787 /nfs/dbraw/zinc/02/87/87/991028787.db2.gz QAGBZCOVZVNWBU-VQTJNVASSA-N 1 3 374.598 2.990 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000921274221 991028794 /nfs/dbraw/zinc/02/87/94/991028794.db2.gz QAGBZCOVZVNWBU-VQTJNVASSA-N 1 3 374.598 2.990 20 0 FFADHO COc1ccc(-c2cc(CN3CCC4(CO[C@H](C[NH3+])C4)CC3)on2)cc1 ZINC000923453571 991157223 /nfs/dbraw/zinc/15/72/23/991157223.db2.gz YGRHYPQEMAZIQQ-SFHVURJKSA-N 1 3 357.454 2.680 20 0 FFADHO COc1ccc(-c2cc(CN3CCC4(CO[C@@H](C[NH3+])C4)CC3)on2)cc1 ZINC000923453570 991157554 /nfs/dbraw/zinc/15/75/54/991157554.db2.gz YGRHYPQEMAZIQQ-GOSISDBHSA-N 1 3 357.454 2.680 20 0 FFADHO COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923494562 991188517 /nfs/dbraw/zinc/18/85/17/991188517.db2.gz XMAHFKNXUJUMLA-XLIONFOSSA-N 1 3 359.514 2.810 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000923501528 991196238 /nfs/dbraw/zinc/19/62/38/991196238.db2.gz UZQPBLPGCHKOFC-VNHYZAJKSA-N 1 3 373.419 2.679 20 0 FFADHO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN2CCN(C(C)C)CC2)no1 ZINC000879681919 1015635344 /nfs/dbraw/zinc/63/53/44/1015635344.db2.gz NQRCELQSWKSRTG-YQQQUEKLSA-N 1 3 361.534 2.505 20 0 FFADHO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN2CCN(C(C)C)CC2)no1 ZINC000879681919 1015635348 /nfs/dbraw/zinc/63/53/48/1015635348.db2.gz NQRCELQSWKSRTG-YQQQUEKLSA-N 1 3 361.534 2.505 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000078434424 991434404 /nfs/dbraw/zinc/43/44/04/991434404.db2.gz YIKINKJVTNQPDM-FQEVSTJZSA-N 1 3 354.498 2.850 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC001106910860 991534528 /nfs/dbraw/zinc/53/45/28/991534528.db2.gz SDLSUBBESZGUEY-NVXWUHKLSA-N 1 3 367.484 2.533 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079159143 991862297 /nfs/dbraw/zinc/86/22/97/991862297.db2.gz LYNUFTZGXWNKTG-FFZOFVMBSA-N 1 3 361.505 2.850 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726085 992364600 /nfs/dbraw/zinc/36/46/00/992364600.db2.gz ATORPSCJNAXFBI-NVEXJGOOSA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726085 992364608 /nfs/dbraw/zinc/36/46/08/992364608.db2.gz ATORPSCJNAXFBI-NVEXJGOOSA-N 1 3 366.509 2.512 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)cs1 ZINC001079844883 992485237 /nfs/dbraw/zinc/48/52/37/992485237.db2.gz FYYLLGDGEUCLNV-ATZDWAIDSA-N 1 3 363.571 2.971 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)cs1 ZINC001079844883 992485241 /nfs/dbraw/zinc/48/52/41/992485241.db2.gz FYYLLGDGEUCLNV-ATZDWAIDSA-N 1 3 363.571 2.971 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080559092 993164909 /nfs/dbraw/zinc/16/49/09/993164909.db2.gz UPMOQZCOVVSDAQ-OXQOHEQNSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559157 993164923 /nfs/dbraw/zinc/16/49/23/993164923.db2.gz XVNFCSVLFOVVSO-BASMLCPQSA-N 1 3 355.526 2.868 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc3cccnc32)[C@H](C)C1 ZINC001107038979 993290819 /nfs/dbraw/zinc/29/08/19/993290819.db2.gz JQSYBKRMRYERRW-YLJYHZDGSA-N 1 3 368.525 2.759 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1)C1CC1 ZINC001081125601 993652316 /nfs/dbraw/zinc/65/23/16/993652316.db2.gz IPZGHULBBWYEOY-PWRODBHTSA-N 1 3 355.526 2.711 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001131596991 994444572 /nfs/dbraw/zinc/44/45/72/994444572.db2.gz FHWJOEWHKHPIIG-BOXUBARPSA-N 1 3 365.562 2.670 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608789 994455130 /nfs/dbraw/zinc/45/51/30/994455130.db2.gz NCFOFPIEHLWODI-CTNGQTDRSA-N 1 3 367.578 2.749 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](OC)C1 ZINC001082384332 994500248 /nfs/dbraw/zinc/50/02/48/994500248.db2.gz QBCCFMITXLQQIH-WOJBJXKFSA-N 1 3 361.530 2.613 20 0 FFADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](OC)C1 ZINC001082384332 994500263 /nfs/dbraw/zinc/50/02/63/994500263.db2.gz QBCCFMITXLQQIH-WOJBJXKFSA-N 1 3 361.530 2.613 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cnc(Cl)s2)C1 ZINC001082507400 994788943 /nfs/dbraw/zinc/78/89/43/994788943.db2.gz PCFYRBGTGZOVKF-BPLDGKMQSA-N 1 3 370.950 2.606 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cnc(Cl)s2)C1 ZINC001082507400 994788953 /nfs/dbraw/zinc/78/89/53/994788953.db2.gz PCFYRBGTGZOVKF-BPLDGKMQSA-N 1 3 370.950 2.606 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001082557091 994925366 /nfs/dbraw/zinc/92/53/66/994925366.db2.gz ORSCJAWYGQGKTD-DNVCBOLYSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1ccc(F)cc1Cl ZINC001082559425 994933887 /nfs/dbraw/zinc/93/38/87/994933887.db2.gz FFAAMMSEYCINKX-PJSAGSTRSA-N 1 3 367.896 2.756 20 0 FFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001082560035 994935875 /nfs/dbraw/zinc/93/58/75/994935875.db2.gz XSSVBOZLMYLXLR-ZMYBRWDISA-N 1 3 363.933 2.925 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001082562023 994943538 /nfs/dbraw/zinc/94/35/38/994943538.db2.gz HYLHPBSPLTYFKC-JBYIUTFZSA-N 1 3 369.553 2.712 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCc1cccc(Cl)n1 ZINC001082681856 995268395 /nfs/dbraw/zinc/26/83/95/995268395.db2.gz XWOFUKOYMPDWTB-GDBMZVCRSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1sccc1Cl ZINC001082719514 995348816 /nfs/dbraw/zinc/34/88/16/995348816.db2.gz OWVBRCTYJNCBGI-IUODEOHRSA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1cc(F)ccc1F ZINC001082720007 995350667 /nfs/dbraw/zinc/35/06/67/995350667.db2.gz BERBNVPKOCTTPI-PJIJBLCYSA-N 1 3 365.468 2.804 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)c1C ZINC001082724693 995361578 /nfs/dbraw/zinc/36/15/78/995361578.db2.gz BRAIUOBHLDOCTI-XFQXTVEOSA-N 1 3 361.530 2.526 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NCc1cccc(Cl)c1F ZINC001082741109 995395055 /nfs/dbraw/zinc/39/50/55/995395055.db2.gz PVJZKQBFLTULAN-JKIFEVAISA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NCc1cccc(Cl)c1F ZINC001082741109 995395063 /nfs/dbraw/zinc/39/50/63/995395063.db2.gz PVJZKQBFLTULAN-JKIFEVAISA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001082742979 995399977 /nfs/dbraw/zinc/39/99/77/995399977.db2.gz ZHDIRLHIVGVDRB-CSODHUTKSA-N 1 3 355.526 2.842 20 0 FFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001082742943 995400173 /nfs/dbraw/zinc/40/01/73/995400173.db2.gz XQDCMIITVYCZSE-WAOWUJCRSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)c1 ZINC001082744076 995403610 /nfs/dbraw/zinc/40/36/10/995403610.db2.gz RFNBEIQRWHZDTK-VQIMIIECSA-N 1 3 361.505 2.803 20 0 FFADHO C[NH+](C)C[C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c2ccccc2O1 ZINC000813057931 995607421 /nfs/dbraw/zinc/60/74/21/995607421.db2.gz ASEJBWQFBBPSSB-YWZLYKJASA-N 1 3 363.477 2.555 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1NCc1ccc(F)cn1 ZINC001082942510 995878810 /nfs/dbraw/zinc/87/88/10/995878810.db2.gz HIMDRRKBJBALAE-FOIQADDNSA-N 1 3 370.472 2.533 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084338566 996468027 /nfs/dbraw/zinc/46/80/27/996468027.db2.gz WVYPKLHCQLHUDM-VAMGGRTRSA-N 1 3 359.558 2.972 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084338566 996468030 /nfs/dbraw/zinc/46/80/30/996468030.db2.gz WVYPKLHCQLHUDM-VAMGGRTRSA-N 1 3 359.558 2.972 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(CCc4cccs4)C[C@H]32)CC[N@@H+]1C ZINC001084609611 996723764 /nfs/dbraw/zinc/72/37/64/996723764.db2.gz LGEOWCLHBLTPOA-IMBTUZDBSA-N 1 3 361.555 2.554 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(CCc4cccs4)C[C@H]32)CC[N@H+]1C ZINC001084609611 996723768 /nfs/dbraw/zinc/72/37/68/996723768.db2.gz LGEOWCLHBLTPOA-IMBTUZDBSA-N 1 3 361.555 2.554 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)[NH+]1CCCCCC1 ZINC001084700803 996979096 /nfs/dbraw/zinc/97/90/96/996979096.db2.gz AYXLSBCSZLKZSW-KBAYOESNSA-N 1 3 369.500 2.829 20 0 FFADHO Cc1cccn2c(CN3CCC(COCC[NH+]4CCCC4)CC3)cnc12 ZINC001136958438 997140912 /nfs/dbraw/zinc/14/09/12/997140912.db2.gz RAUFSFWELQULMX-UHFFFAOYSA-N 1 3 356.514 2.967 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000844225724 997715081 /nfs/dbraw/zinc/71/50/81/997715081.db2.gz SYNKVJNKWITJRF-CEXWTWQISA-N 1 3 370.541 2.935 20 0 FFADHO CCOc1cc(CN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)ccc1OC(F)F ZINC000903723985 1016155675 /nfs/dbraw/zinc/15/56/75/1016155675.db2.gz KKPUYGUHULWDGJ-BEFAXECRSA-N 1 3 370.440 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)CC[N@@H+]1C ZINC001084944877 998246888 /nfs/dbraw/zinc/24/68/88/998246888.db2.gz UABPODQNGTZUJG-PMXSJFBMSA-N 1 3 373.516 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)CC[N@H+]1C ZINC001084944877 998246895 /nfs/dbraw/zinc/24/68/95/998246895.db2.gz UABPODQNGTZUJG-PMXSJFBMSA-N 1 3 373.516 2.979 20 0 FFADHO CCc1ccc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)nc1 ZINC000881208552 1016209899 /nfs/dbraw/zinc/20/98/99/1016209899.db2.gz SIZBETPKHMQHDQ-UHFFFAOYSA-N 1 3 359.518 2.716 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)[C@@H](C)C4)C[C@@H]32)c1 ZINC001085017635 998684139 /nfs/dbraw/zinc/68/41/39/998684139.db2.gz PRLWCJKSXWSDGP-NRDMVMEKSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)[C@@H](C)C4)C[C@@H]32)c1 ZINC001085017635 998684141 /nfs/dbraw/zinc/68/41/41/998684141.db2.gz PRLWCJKSXWSDGP-NRDMVMEKSA-N 1 3 370.541 2.543 20 0 FFADHO CC(=O)Nc1ccc2c(CN3CCC(C[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000732569438 998704542 /nfs/dbraw/zinc/70/45/42/998704542.db2.gz NVKSBQPCOZOPEB-UHFFFAOYSA-N 1 3 357.454 2.525 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3CC[N@H+](CC4CC4)[C@H]3C2)C1 ZINC001085033059 998722747 /nfs/dbraw/zinc/72/27/47/998722747.db2.gz OPZAYHNBEHEPDT-FUHIMQAGSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3CC[N@@H+](CC4CC4)[C@H]3C2)C1 ZINC001085033059 998722748 /nfs/dbraw/zinc/72/27/48/998722748.db2.gz OPZAYHNBEHEPDT-FUHIMQAGSA-N 1 3 351.510 2.532 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1=O)C2 ZINC000903843915 1016254575 /nfs/dbraw/zinc/25/45/75/1016254575.db2.gz WTFXGYNCOIRFKP-UICACZKSSA-N 1 3 365.424 2.595 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC001085217699 999184594 /nfs/dbraw/zinc/18/45/94/999184594.db2.gz MIVFLXPZAGUMRG-VAMGGRTRSA-N 1 3 358.530 2.781 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1ccns1)C12CCC[NH+](CCC1)C2 ZINC001085242458 999246816 /nfs/dbraw/zinc/24/68/16/999246816.db2.gz SCVDYPNYLXJHJC-IAGOWNOFSA-N 1 3 362.543 2.536 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001085295719 999312988 /nfs/dbraw/zinc/31/29/88/999312988.db2.gz VUSACTGBQMIVDA-RTBURBONSA-N 1 3 358.530 2.781 20 0 FFADHO COc1cccc(C2(C[NH2+]C[C@@H](CN)Cc3cnn(C)c3C)CCCC2)c1 ZINC000903922503 1016307462 /nfs/dbraw/zinc/30/74/62/1016307462.db2.gz YGZBHGGHTWUBHQ-GOSISDBHSA-N 1 3 370.541 2.956 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC001085605874 999587324 /nfs/dbraw/zinc/58/73/24/999587324.db2.gz WDQMNSXQNPTVIC-DJIMGWMZSA-N 1 3 357.489 2.685 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC001085605874 999587325 /nfs/dbraw/zinc/58/73/25/999587325.db2.gz WDQMNSXQNPTVIC-DJIMGWMZSA-N 1 3 357.489 2.685 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000743077528 999797694 /nfs/dbraw/zinc/79/76/94/999797694.db2.gz CYLCXKSAPZJQQK-YLJYHZDGSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000743077528 999797695 /nfs/dbraw/zinc/79/76/95/999797695.db2.gz CYLCXKSAPZJQQK-YLJYHZDGSA-N 1 3 373.545 2.775 20 0 FFADHO Cn1c2cc(Cl)ccc2nc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980251 1016355904 /nfs/dbraw/zinc/35/59/04/1016355904.db2.gz LVQRYESLOIOUBL-CALCHBBNSA-N 1 3 373.932 2.627 20 0 FFADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1OC(F)F ZINC000903980649 1016358699 /nfs/dbraw/zinc/35/86/99/1016358699.db2.gz WUZMFHHTRNOWOI-IYBDPMFKSA-N 1 3 369.431 2.828 20 0 FFADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1OC(F)F ZINC000903980649 1016358703 /nfs/dbraw/zinc/35/87/03/1016358703.db2.gz WUZMFHHTRNOWOI-IYBDPMFKSA-N 1 3 369.431 2.828 20 0 FFADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ccc1OC(F)F ZINC000903980649 1016358711 /nfs/dbraw/zinc/35/87/11/1016358711.db2.gz WUZMFHHTRNOWOI-IYBDPMFKSA-N 1 3 369.431 2.828 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000746138995 999951446 /nfs/dbraw/zinc/95/14/46/999951446.db2.gz LZIJWTUWGXRMHP-IAGOWNOFSA-N 1 3 359.514 2.649 20 0 FFADHO COc1ccc(CN2CC[C@H]([NH2+]CCCN3CCC(C)CC3)CC2=O)cc1 ZINC001168893130 1000003980 /nfs/dbraw/zinc/00/39/80/1000003980.db2.gz OHEVGPZDZMNMAS-FQEVSTJZSA-N 1 3 373.541 2.898 20 0 FFADHO COc1ccc(CN2CC[C@H](NCCC[NH+]3CCC(C)CC3)CC2=O)cc1 ZINC001168893130 1000003981 /nfs/dbraw/zinc/00/39/81/1000003981.db2.gz OHEVGPZDZMNMAS-FQEVSTJZSA-N 1 3 373.541 2.898 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C1)C2 ZINC001169133221 1000023598 /nfs/dbraw/zinc/02/35/98/1000023598.db2.gz CYEONIJUEWXNMC-LILSUDLASA-N 1 3 371.525 2.847 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C1)C2 ZINC001169133221 1000023601 /nfs/dbraw/zinc/02/36/01/1000023601.db2.gz CYEONIJUEWXNMC-LILSUDLASA-N 1 3 371.525 2.847 20 0 FFADHO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153943 1000028395 /nfs/dbraw/zinc/02/83/95/1000028395.db2.gz MUBOZFJHBQMYJW-CBPXPLCBSA-N 1 3 357.542 2.835 20 0 FFADHO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153943 1000028397 /nfs/dbraw/zinc/02/83/97/1000028397.db2.gz MUBOZFJHBQMYJW-CBPXPLCBSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153943 1000028400 /nfs/dbraw/zinc/02/84/00/1000028400.db2.gz MUBOZFJHBQMYJW-CBPXPLCBSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153943 1000028401 /nfs/dbraw/zinc/02/84/01/1000028401.db2.gz MUBOZFJHBQMYJW-CBPXPLCBSA-N 1 3 357.542 2.835 20 0 FFADHO CC[NH+]1CCC(N2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)CC1 ZINC001169255007 1000035635 /nfs/dbraw/zinc/03/56/35/1000035635.db2.gz LWFWALGHKWCIBM-FQEVSTJZSA-N 1 3 355.526 2.951 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H](N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC001169407224 1000044055 /nfs/dbraw/zinc/04/40/55/1000044055.db2.gz AMXXKMRCNULHEC-ZCNNSNEGSA-N 1 3 360.498 2.551 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H](N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001169407224 1000044057 /nfs/dbraw/zinc/04/40/57/1000044057.db2.gz AMXXKMRCNULHEC-ZCNNSNEGSA-N 1 3 360.498 2.551 20 0 FFADHO [NH3+]Cc1ccc2c(n1)N(c1cccc3cc([C@H]4CNCCO4)cn31)CCC2 ZINC001169590587 1000060101 /nfs/dbraw/zinc/06/01/01/1000060101.db2.gz JPQFHTDLUSDRAJ-LJQANCHMSA-N 1 3 363.465 2.538 20 0 FFADHO CCOC(=O)N1CCC[C@@H]([NH+]2CCC(N3CCC(OC)CC3)CC2)CC1 ZINC001169711988 1000071687 /nfs/dbraw/zinc/07/16/87/1000071687.db2.gz WVGWVHBRYALMEE-QGZVFWFLSA-N 1 3 367.534 2.573 20 0 FFADHO CN(CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccncc1 ZINC000846175340 1000221895 /nfs/dbraw/zinc/22/18/95/1000221895.db2.gz UITYUECZBBKHIK-HXUWFJFHSA-N 1 3 364.509 2.574 20 0 FFADHO CN(CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)Cc1ccncc1 ZINC000846175340 1000221898 /nfs/dbraw/zinc/22/18/98/1000221898.db2.gz UITYUECZBBKHIK-HXUWFJFHSA-N 1 3 364.509 2.574 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846807474 1000446132 /nfs/dbraw/zinc/44/61/32/1000446132.db2.gz VCKIYGOWOGGOEC-YLJYHZDGSA-N 1 3 369.550 2.555 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846807474 1000446136 /nfs/dbraw/zinc/44/61/36/1000446136.db2.gz VCKIYGOWOGGOEC-YLJYHZDGSA-N 1 3 369.550 2.555 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(C(=O)OCC)C2)CC1 ZINC000769939924 1000642312 /nfs/dbraw/zinc/64/23/12/1000642312.db2.gz UJCMIJZZFYOPCH-IBGZPJMESA-N 1 3 374.529 2.539 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC2CCC2)CCCC1 ZINC001109565129 1000649958 /nfs/dbraw/zinc/64/99/58/1000649958.db2.gz AZYJJBHUQXPRRP-NEWSRXKRSA-N 1 3 363.546 2.542 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001109653803 1000789587 /nfs/dbraw/zinc/78/95/87/1000789587.db2.gz HUMXGJHGDURXGA-HOJAQTOUSA-N 1 3 359.514 2.519 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc(SC(C)(C)C)c1 ZINC001146979027 1000798716 /nfs/dbraw/zinc/79/87/16/1000798716.db2.gz XZTCDNOSTIVARO-HNNXBMFYSA-N 1 3 366.575 2.974 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc(SC(C)(C)C)c1 ZINC001146979027 1000798722 /nfs/dbraw/zinc/79/87/22/1000798722.db2.gz XZTCDNOSTIVARO-HNNXBMFYSA-N 1 3 366.575 2.974 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCOCC1)N(CC)CC ZINC001109714228 1000896983 /nfs/dbraw/zinc/89/69/83/1000896983.db2.gz CJSSGLSAIRLZHL-WCIQWLHISA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCOCC1)N(CC)CC ZINC001109714228 1000896989 /nfs/dbraw/zinc/89/69/89/1000896989.db2.gz CJSSGLSAIRLZHL-WCIQWLHISA-N 1 3 365.562 2.645 20 0 FFADHO CCc1ccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001000702105 1016444912 /nfs/dbraw/zinc/44/49/12/1016444912.db2.gz QEGGIIQVBUOOID-DYESRHJHSA-N 1 3 355.526 2.838 20 0 FFADHO CCc1ccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC001000702105 1016444918 /nfs/dbraw/zinc/44/49/18/1016444918.db2.gz QEGGIIQVBUOOID-DYESRHJHSA-N 1 3 355.526 2.838 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860237 1001090815 /nfs/dbraw/zinc/09/08/15/1001090815.db2.gz RNGOQJQEKDNKKX-YDZRNGNQSA-N 1 3 353.551 2.501 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccccc1OC ZINC001109932175 1001166820 /nfs/dbraw/zinc/16/68/20/1001166820.db2.gz DNIPZDJEKVFNOO-AABGKKOBSA-N 1 3 373.541 2.691 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccccc1OC ZINC001109932175 1001166822 /nfs/dbraw/zinc/16/68/22/1001166822.db2.gz DNIPZDJEKVFNOO-AABGKKOBSA-N 1 3 373.541 2.691 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737505 1001184225 /nfs/dbraw/zinc/18/42/25/1001184225.db2.gz GORQBECDGAKXAO-URVUXULASA-N 1 3 355.526 2.616 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737505 1001184232 /nfs/dbraw/zinc/18/42/32/1001184232.db2.gz GORQBECDGAKXAO-URVUXULASA-N 1 3 355.526 2.616 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000771676441 1001187521 /nfs/dbraw/zinc/18/75/21/1001187521.db2.gz HPTGZMCVJGUZKD-UHFFFAOYSA-N 1 3 366.594 2.516 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754184 1001230874 /nfs/dbraw/zinc/23/08/74/1001230874.db2.gz HUZZYQHSHWETBG-DXIQSLLYSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754184 1001230878 /nfs/dbraw/zinc/23/08/78/1001230878.db2.gz HUZZYQHSHWETBG-DXIQSLLYSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnccc3N(C)C)C2)o1 ZINC001086855258 1001265085 /nfs/dbraw/zinc/26/50/85/1001265085.db2.gz PLAORPXGXVFWBL-OWCLPIDISA-N 1 3 371.485 2.693 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC001086882789 1001301265 /nfs/dbraw/zinc/30/12/65/1001301265.db2.gz MNANMYPNEBQLRK-RCCFBDPRSA-N 1 3 362.518 2.540 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(COC)cc1 ZINC001110015079 1001306348 /nfs/dbraw/zinc/30/63/48/1001306348.db2.gz XMYCMWWFXHCFIW-HKBOAZHASA-N 1 3 373.541 2.786 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(COC)cc1 ZINC001110015079 1001306354 /nfs/dbraw/zinc/30/63/54/1001306354.db2.gz XMYCMWWFXHCFIW-HKBOAZHASA-N 1 3 373.541 2.786 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)COC)C1 ZINC001112547369 1001451504 /nfs/dbraw/zinc/45/15/04/1001451504.db2.gz LTKFHGQWGXBLJH-ZJOUEHCJSA-N 1 3 367.578 2.752 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001112567353 1001497963 /nfs/dbraw/zinc/49/79/63/1001497963.db2.gz KSEPLASUVWDWDU-XLKPZTHESA-N 1 3 362.345 2.866 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1 ZINC001112585632 1001536068 /nfs/dbraw/zinc/53/60/68/1001536068.db2.gz JGKXZQFMANHIND-ZEZRHIFASA-N 1 3 353.938 2.832 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCF)C1 ZINC001112585341 1001543932 /nfs/dbraw/zinc/54/39/32/1001543932.db2.gz RVDVUVLMZODWIV-RXVVDRJESA-N 1 3 361.505 2.940 20 0 FFADHO Cc1cccc(Cl)c1CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001276207630 1016541172 /nfs/dbraw/zinc/54/11/72/1016541172.db2.gz NEIUXLGPJDSWLY-KRWDZBQOSA-N 1 3 363.933 2.928 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1)N(C)C ZINC001091780765 1001905744 /nfs/dbraw/zinc/90/57/44/1001905744.db2.gz YYYCDMTUWFCVHN-SBHAEUEKSA-N 1 3 361.505 2.777 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1)N(C)C ZINC001091780765 1001905753 /nfs/dbraw/zinc/90/57/53/1001905753.db2.gz YYYCDMTUWFCVHN-SBHAEUEKSA-N 1 3 361.505 2.777 20 0 FFADHO CN(C(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001182970341 1002110755 /nfs/dbraw/zinc/11/07/55/1002110755.db2.gz YHHWJAZAIOVMEX-PZJWPPBQSA-N 1 3 364.493 2.641 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CN(C/C=C/Cl)C[C@@]3(C)C2)C1 ZINC001092013118 1002285958 /nfs/dbraw/zinc/28/59/58/1002285958.db2.gz IMTLNCKPGBHUPS-IORCKUOYSA-N 1 3 371.928 2.732 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CN(C/C=C/Cl)C[C@@]3(C)C2)C1 ZINC001092013118 1002285962 /nfs/dbraw/zinc/28/59/62/1002285962.db2.gz IMTLNCKPGBHUPS-IORCKUOYSA-N 1 3 371.928 2.732 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092051644 1002325123 /nfs/dbraw/zinc/32/51/23/1002325123.db2.gz GZFCLWOGZMSWOF-UTKZUKDTSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092051644 1002325133 /nfs/dbraw/zinc/32/51/33/1002325133.db2.gz GZFCLWOGZMSWOF-UTKZUKDTSA-N 1 3 352.482 2.550 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC001086587971 1002399481 /nfs/dbraw/zinc/39/94/81/1002399481.db2.gz WZUVFABKSVVCTO-PWRODBHTSA-N 1 3 355.526 2.853 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC001086587971 1002399490 /nfs/dbraw/zinc/39/94/90/1002399490.db2.gz WZUVFABKSVVCTO-PWRODBHTSA-N 1 3 355.526 2.853 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccccc1)N1CCCC1 ZINC001086602607 1002806395 /nfs/dbraw/zinc/80/63/95/1002806395.db2.gz JIRGMYNAHPDAEL-RBUKOAKNSA-N 1 3 361.505 2.805 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1)N1CCCC1 ZINC001086602607 1002806413 /nfs/dbraw/zinc/80/64/13/1002806413.db2.gz JIRGMYNAHPDAEL-RBUKOAKNSA-N 1 3 361.505 2.805 20 0 FFADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccnc3ccc(C(F)(F)F)cc32)O1 ZINC001170276356 1003085739 /nfs/dbraw/zinc/08/57/39/1003085739.db2.gz DGESQLUVQFLWAC-BRWVUGGUSA-N 1 3 369.387 2.812 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C(F)(F)Cc3ccccc3)CC2)CC1 ZINC000793299633 1003329092 /nfs/dbraw/zinc/32/90/92/1003329092.db2.gz PJMQXRUDLXNJEO-UHFFFAOYSA-N 1 3 365.468 2.539 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678195368 1016870644 /nfs/dbraw/zinc/87/06/44/1016870644.db2.gz VVMMVTHWUJDFME-UHFFFAOYSA-N 1 3 353.532 2.610 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678195368 1016870665 /nfs/dbraw/zinc/87/06/65/1016870665.db2.gz VVMMVTHWUJDFME-UHFFFAOYSA-N 1 3 353.532 2.610 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1 ZINC001130999964 1004636849 /nfs/dbraw/zinc/63/68/49/1004636849.db2.gz BOHLLVZYLRKDEA-OAQYLSRUSA-N 1 3 359.514 2.621 20 0 FFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1O ZINC001194320996 1004704080 /nfs/dbraw/zinc/70/40/80/1004704080.db2.gz CGBJDSJKFULGIM-QZTJIDSGSA-N 1 3 367.578 2.627 20 0 FFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1O ZINC001194320996 1004704085 /nfs/dbraw/zinc/70/40/85/1004704085.db2.gz CGBJDSJKFULGIM-QZTJIDSGSA-N 1 3 367.578 2.627 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(C)C)c2ccccc2OC)CC[N@@H+]1C ZINC001198743162 1004719798 /nfs/dbraw/zinc/71/97/98/1004719798.db2.gz WQFGUTFADNCZNN-IPMKNSEASA-N 1 3 361.530 2.828 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(C)C)c2ccccc2OC)CC[N@H+]1C ZINC001198743162 1004719803 /nfs/dbraw/zinc/71/98/03/1004719803.db2.gz WQFGUTFADNCZNN-IPMKNSEASA-N 1 3 361.530 2.828 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1)C12CCC[NH+]1CCC2 ZINC001095685808 1016989613 /nfs/dbraw/zinc/98/96/13/1016989613.db2.gz YPAXPVZZGNWYJO-NJAFHUGGSA-N 1 3 359.539 2.641 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000850759321 1005836872 /nfs/dbraw/zinc/83/68/72/1005836872.db2.gz OFQBIKPNFSDFOG-SFHVURJKSA-N 1 3 360.502 2.732 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851750380 1005910848 /nfs/dbraw/zinc/91/08/48/1005910848.db2.gz DUFNPUUKWLJGPB-GOSISDBHSA-N 1 3 369.550 2.675 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851750380 1005910850 /nfs/dbraw/zinc/91/08/50/1005910850.db2.gz DUFNPUUKWLJGPB-GOSISDBHSA-N 1 3 369.550 2.675 20 0 FFADHO Clc1ccc(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cn1 ZINC001137165228 1006056195 /nfs/dbraw/zinc/05/61/95/1006056195.db2.gz BTGUIGHFZICMRU-UHFFFAOYSA-N 1 3 359.905 2.976 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000678286264 1017029903 /nfs/dbraw/zinc/02/99/03/1017029903.db2.gz LWPKHBSPIXREML-QFIPXVFZSA-N 1 3 374.525 2.931 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)CC[N@@H+]1C ZINC001097104294 1017041266 /nfs/dbraw/zinc/04/12/66/1017041266.db2.gz NUTYCKWAQRCMOK-XNTOXWQXSA-N 1 3 355.526 2.681 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)CC[N@H+]1C ZINC001097104294 1017041273 /nfs/dbraw/zinc/04/12/73/1017041273.db2.gz NUTYCKWAQRCMOK-XNTOXWQXSA-N 1 3 355.526 2.681 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001097106002 1017045632 /nfs/dbraw/zinc/04/56/32/1017045632.db2.gz LYSKFFQCRIGLQX-XNTOXWQXSA-N 1 3 355.526 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C)cc2)CC[N@H+]1C ZINC001097106002 1017045642 /nfs/dbraw/zinc/04/56/42/1017045642.db2.gz LYSKFFQCRIGLQX-XNTOXWQXSA-N 1 3 355.526 2.947 20 0 FFADHO C[NH2+]CCOc1ccccc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000884200778 1007312300 /nfs/dbraw/zinc/31/23/00/1007312300.db2.gz JVLAIJXTLDLKAY-IEBWSBKVSA-N 1 3 367.493 2.850 20 0 FFADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000884208820 1007315703 /nfs/dbraw/zinc/31/57/03/1007315703.db2.gz KTIQDUBMKWKTKS-LJQANCHMSA-N 1 3 361.530 2.839 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189880896 1007320627 /nfs/dbraw/zinc/32/06/27/1007320627.db2.gz NKTVLVXLFROLCQ-FXAWDEMLSA-N 1 3 361.505 2.899 20 0 FFADHO CN(C)C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000856168986 1007708205 /nfs/dbraw/zinc/70/82/05/1007708205.db2.gz AROSLDMKLWPPAX-LJQANCHMSA-N 1 3 355.526 2.889 20 0 FFADHO CN(C)C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000856168986 1007708209 /nfs/dbraw/zinc/70/82/09/1007708209.db2.gz AROSLDMKLWPPAX-LJQANCHMSA-N 1 3 355.526 2.889 20 0 FFADHO Cc1noc(CCC[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)n1 ZINC000856604001 1007912173 /nfs/dbraw/zinc/91/21/73/1007912173.db2.gz RCALZJUXEKUOKT-IBGZPJMESA-N 1 3 373.501 2.699 20 0 FFADHO Cc1noc(CCC[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)n1 ZINC000856604001 1007912180 /nfs/dbraw/zinc/91/21/80/1007912180.db2.gz RCALZJUXEKUOKT-IBGZPJMESA-N 1 3 373.501 2.699 20 0 FFADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)cc1CN1CCCCC1 ZINC000857084190 1008052905 /nfs/dbraw/zinc/05/29/05/1008052905.db2.gz KVLAGQQRJMCGHH-OXQOHEQNSA-N 1 3 359.514 2.953 20 0 FFADHO Cc1cc(F)ccc1[C@H](O)CNCc1ccncc1OCCC[NH+](C)C ZINC000819317621 1008111391 /nfs/dbraw/zinc/11/13/91/1008111391.db2.gz YBZNOUWXGJGKJK-LJQANCHMSA-N 1 3 361.461 2.683 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001159785647 1008237796 /nfs/dbraw/zinc/23/77/96/1008237796.db2.gz RPPYKJNMAKXADK-JTQLQIEISA-N 1 3 350.200 2.599 20 0 FFADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000820823711 1008376318 /nfs/dbraw/zinc/37/63/18/1008376318.db2.gz OPQRLVKKHCKTBN-CROMKPASSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000820823711 1008376321 /nfs/dbraw/zinc/37/63/21/1008376321.db2.gz OPQRLVKKHCKTBN-CROMKPASSA-N 1 3 357.542 2.881 20 0 FFADHO OCC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCOCC1 ZINC000886590458 1008760092 /nfs/dbraw/zinc/76/00/92/1008760092.db2.gz VZRZXSGYUREVHS-QESAQDPVSA-N 1 3 358.526 2.807 20 0 FFADHO COC(=O)c1cncc([C@@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000886630253 1008781950 /nfs/dbraw/zinc/78/19/50/1008781950.db2.gz XZSYVAAGZZHGNR-YSGRDPCXSA-N 1 3 353.466 2.864 20 0 FFADHO O=C1O[C@H](CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000886634964 1008785309 /nfs/dbraw/zinc/78/53/09/1008785309.db2.gz RMGABULDNKEMRZ-KVPLUYHFSA-N 1 3 355.482 2.612 20 0 FFADHO O=C1O[C@H](CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000886634964 1008785320 /nfs/dbraw/zinc/78/53/20/1008785320.db2.gz RMGABULDNKEMRZ-KVPLUYHFSA-N 1 3 355.482 2.612 20 0 FFADHO CN(C)c1ccccc1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001178295419 1008941742 /nfs/dbraw/zinc/94/17/42/1008941742.db2.gz PJYGYAZBNBLZHM-NRFANRHFSA-N 1 3 353.510 2.999 20 0 FFADHO CN(C)c1ccccc1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001178295419 1008941749 /nfs/dbraw/zinc/94/17/49/1008941749.db2.gz PJYGYAZBNBLZHM-NRFANRHFSA-N 1 3 353.510 2.999 20 0 FFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)N1CCc2ccccc2C1 ZINC000887134635 1009044025 /nfs/dbraw/zinc/04/40/25/1009044025.db2.gz MWRZAJBFNZMXHL-GOSISDBHSA-N 1 3 364.493 2.567 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC001206744497 1032407688 /nfs/dbraw/zinc/40/76/88/1032407688.db2.gz ZEZWLFQFRTUXQL-ATKRNPRHSA-N 1 3 357.542 2.884 20 0 FFADHO Fc1cnccc1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001206787448 1032426104 /nfs/dbraw/zinc/42/61/04/1032426104.db2.gz WBMASOLCHPTBLW-UHFFFAOYSA-N 1 3 370.472 2.730 20 0 FFADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC001180626408 1009758714 /nfs/dbraw/zinc/75/87/14/1009758714.db2.gz LYIJMOAIAZGMNO-CTNGQTDRSA-N 1 3 355.526 2.984 20 0 FFADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC001180626408 1009758721 /nfs/dbraw/zinc/75/87/21/1009758721.db2.gz LYIJMOAIAZGMNO-CTNGQTDRSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1sccc1Cl ZINC001093673214 1010456582 /nfs/dbraw/zinc/45/65/82/1010456582.db2.gz MDBZMYXWXOQQQJ-NFAWXSAZSA-N 1 3 355.935 2.680 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNCc2nc(C)cs2)[C@H](C)C1 ZINC001093805874 1010582670 /nfs/dbraw/zinc/58/26/70/1010582670.db2.gz LGTFUBGJKLBSDR-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNCc2nc(C)cs2)[C@H](C)C1 ZINC001093805874 1010582679 /nfs/dbraw/zinc/58/26/79/1010582679.db2.gz LGTFUBGJKLBSDR-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1F ZINC001093839239 1010609728 /nfs/dbraw/zinc/60/97/28/1010609728.db2.gz GCJIGPPEVNBGMZ-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)n1 ZINC001093960793 1010730360 /nfs/dbraw/zinc/73/03/60/1010730360.db2.gz LEQBNWKHMREAHV-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)s1 ZINC001093960434 1010730657 /nfs/dbraw/zinc/73/06/57/1010730657.db2.gz AOPLJSZGUOBYNI-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110152251 1010784247 /nfs/dbraw/zinc/78/42/47/1010784247.db2.gz LHVRGRYESFLRFL-AABGKKOBSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cs1 ZINC001094020512 1010786138 /nfs/dbraw/zinc/78/61/38/1010786138.db2.gz HYHFLXMQRYZRIK-ZTFGCOKTSA-N 1 3 351.560 2.827 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001094020540 1010786253 /nfs/dbraw/zinc/78/62/53/1010786253.db2.gz JRZQGGKBTKGSIU-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H](C)C1)N(C)C ZINC001094020960 1010786909 /nfs/dbraw/zinc/78/69/09/1010786909.db2.gz RDVGMVCNPFJTEN-IDHHARJASA-N 1 3 367.484 2.735 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC001094040345 1010802221 /nfs/dbraw/zinc/80/22/21/1010802221.db2.gz GLBBKOAQBMXUQM-JFIYKMOQSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001094043881 1010805924 /nfs/dbraw/zinc/80/59/24/1010805924.db2.gz AYOTXHBEJCQYED-IXDOHACOSA-N 1 3 371.516 2.838 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)sc2C)[C@H](C)C1)N(C)C ZINC001094050558 1010809770 /nfs/dbraw/zinc/80/97/70/1010809770.db2.gz HZGKURJLDQFLBC-XWIAVFTESA-N 1 3 351.560 2.889 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](C)C1 ZINC001094088666 1010849330 /nfs/dbraw/zinc/84/93/30/1010849330.db2.gz GOAXTZLXNIWERN-GGPKGHCWSA-N 1 3 358.530 2.529 20 0 FFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)c1 ZINC001094130964 1010877414 /nfs/dbraw/zinc/87/74/14/1010877414.db2.gz FTJLOBAMEOJTHH-TZIWHRDSSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)s1 ZINC001094240947 1010984020 /nfs/dbraw/zinc/98/40/20/1010984020.db2.gz HNTRIWZMBHKHHR-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001094241484 1010984574 /nfs/dbraw/zinc/98/45/74/1010984574.db2.gz IIJXPDGYDWREGL-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H](c1ccc2ccccc2c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709237 1011042000 /nfs/dbraw/zinc/04/20/00/1011042000.db2.gz JJOUWJLVPQNYEQ-PSAKCFHXSA-N 1 3 351.450 2.768 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000868131145 1011177566 /nfs/dbraw/zinc/17/75/66/1011177566.db2.gz ZALMLICLHYJTQB-BTHPGYMESA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000868131145 1011177571 /nfs/dbraw/zinc/17/75/71/1011177571.db2.gz ZALMLICLHYJTQB-BTHPGYMESA-N 1 3 356.514 2.558 20 0 FFADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000868188536 1011194187 /nfs/dbraw/zinc/19/41/87/1011194187.db2.gz YGJGORHOBIGAEL-ZWKOTPCHSA-N 1 3 374.554 2.984 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ccccc2F)CC3)C1 ZINC001094578162 1011255133 /nfs/dbraw/zinc/25/51/33/1011255133.db2.gz RPXWVKFGSLZUDA-FBBABVLZSA-N 1 3 359.489 2.638 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ccccc2F)CC3)C1 ZINC001094578162 1011255144 /nfs/dbraw/zinc/25/51/44/1011255144.db2.gz RPXWVKFGSLZUDA-FBBABVLZSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CNCc2ccccc21 ZINC000645477149 1011496289 /nfs/dbraw/zinc/49/62/89/1011496289.db2.gz HXFAYYLYRXJGAU-QFIPXVFZSA-N 1 3 363.505 2.697 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(OCCN3CCOCC3)c1)C2 ZINC001172101206 1011623595 /nfs/dbraw/zinc/62/35/95/1011623595.db2.gz XKUOQJNQXSQYAW-MZADTFQBSA-N 1 3 373.541 2.503 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(OCCN3CCOCC3)c1)C2 ZINC001172101206 1011623602 /nfs/dbraw/zinc/62/36/02/1011623602.db2.gz XKUOQJNQXSQYAW-MZADTFQBSA-N 1 3 373.541 2.503 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(OCCN3CCOCC3)c1)C2 ZINC001172101206 1011623607 /nfs/dbraw/zinc/62/36/07/1011623607.db2.gz XKUOQJNQXSQYAW-MZADTFQBSA-N 1 3 373.541 2.503 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C[C@H](c4cncnc4)CO3)CC1)C2 ZINC001172118806 1011651145 /nfs/dbraw/zinc/65/11/45/1011651145.db2.gz QMUJUNNHDWQMKP-FFGOWVMKSA-N 1 3 356.514 2.830 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([NH2+]CC3CCN(Cc4ccccc4F)CC3)CCN12 ZINC001172154501 1011668496 /nfs/dbraw/zinc/66/84/96/1011668496.db2.gz HQYHPWGONUDORT-RTBURBONSA-N 1 3 359.489 2.781 20 0 FFADHO COCCCN1CCC([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001172244546 1011717513 /nfs/dbraw/zinc/71/75/13/1011717513.db2.gz UWFTVIIBMXYMKC-OAQYLSRUSA-N 1 3 359.558 2.989 20 0 FFADHO COCCC[NH+]1CCC(N[C@H]2CSc3cc(OC)ccc3C2)CC1 ZINC001172249907 1011723066 /nfs/dbraw/zinc/72/30/66/1011723066.db2.gz PKQXMCWGBWGPPR-QGZVFWFLSA-N 1 3 350.528 2.803 20 0 FFADHO CN(Cc1conc1Cc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646197113 1011795198 /nfs/dbraw/zinc/79/51/98/1011795198.db2.gz SPPRQTAMKMVJSJ-OAQYLSRUSA-N 1 3 368.525 2.866 20 0 FFADHO CCCN(C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000646277925 1011829190 /nfs/dbraw/zinc/82/91/90/1011829190.db2.gz ZAMRAAVAUQVBKI-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646377942 1011886706 /nfs/dbraw/zinc/88/67/06/1011886706.db2.gz CDBPLBUUVLQPPK-HBMCJLEFSA-N 1 3 355.526 2.889 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](CC3CCC3)C2)C1=O ZINC001275140517 1011991642 /nfs/dbraw/zinc/99/16/42/1011991642.db2.gz GRTQGYVFAOJUQD-UNMCSNQZSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](CC3CCC3)C2)C1=O ZINC001275140517 1011991659 /nfs/dbraw/zinc/99/16/59/1011991659.db2.gz GRTQGYVFAOJUQD-UNMCSNQZSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3c[nH]c4cc(Cl)ccc34)C2)C1=O ZINC001275161200 1012011085 /nfs/dbraw/zinc/01/10/85/1012011085.db2.gz ANIOHFORJHQHSW-FQEVSTJZSA-N 1 3 374.916 2.807 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C2)C1=O ZINC001275161200 1012011099 /nfs/dbraw/zinc/01/10/99/1012011099.db2.gz ANIOHFORJHQHSW-FQEVSTJZSA-N 1 3 374.916 2.807 20 0 FFADHO Cc1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542053 1012021314 /nfs/dbraw/zinc/02/13/14/1012021314.db2.gz BVOXKHLRAJMZOP-FQEVSTJZSA-N 1 3 370.541 2.854 20 0 FFADHO CC(C)(C)OC(=O)CN1CCC([NH+]2C(C)(C)CC(N)CC2(C)C)CC1 ZINC001172886670 1012088206 /nfs/dbraw/zinc/08/82/06/1012088206.db2.gz OXUHKAGTIOIDOK-UHFFFAOYSA-N 1 3 353.551 2.773 20 0 FFADHO COCCN(C)CCOc1cccc(CNC(=[NH2+])Nc2ccccc2)c1 ZINC000303407784 1012132442 /nfs/dbraw/zinc/13/24/42/1012132442.db2.gz SRFUQBGDTAJMKP-UHFFFAOYSA-N 1 3 356.470 2.780 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870183689 1012243175 /nfs/dbraw/zinc/24/31/75/1012243175.db2.gz KNPOXEZBHHFVFN-HDICACEKSA-N 1 3 355.526 2.865 20 0 FFADHO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000647326625 1012443097 /nfs/dbraw/zinc/44/30/97/1012443097.db2.gz IVAJDFVGVXSEQS-VAMGGRTRSA-N 1 3 353.514 2.638 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000647552075 1012528529 /nfs/dbraw/zinc/52/85/29/1012528529.db2.gz FBJHPRHJGXBGTH-MJGOQNOKSA-N 1 3 358.486 2.707 20 0 FFADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCN1CC[NH2+]CC1 ZINC000647834927 1012605962 /nfs/dbraw/zinc/60/59/62/1012605962.db2.gz FRUSCRWFZDEAMN-SFHVURJKSA-N 1 3 366.509 2.837 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc4occc4c3)CC2)C1=O ZINC001275549137 1012608816 /nfs/dbraw/zinc/60/88/16/1012608816.db2.gz OMNCJNIPEQMYPQ-UHFFFAOYSA-N 1 3 355.482 2.809 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000647974898 1012647095 /nfs/dbraw/zinc/64/70/95/1012647095.db2.gz ASIABHFNNQJPRU-GKHXVQBSSA-N 1 3 359.558 2.783 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2ccc3ccccc3c2)C1=O ZINC001275603416 1012678596 /nfs/dbraw/zinc/67/85/96/1012678596.db2.gz UJIRVERGEZPWKM-QFIPXVFZSA-N 1 3 351.494 2.968 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](Cc3cccs3)C2)C1=O ZINC001275609359 1012694020 /nfs/dbraw/zinc/69/40/20/1012694020.db2.gz WWYGWVOKMMJDNB-HXUWFJFHSA-N 1 3 355.507 2.800 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3cccs3)C2)C1=O ZINC001275609359 1012694027 /nfs/dbraw/zinc/69/40/27/1012694027.db2.gz WWYGWVOKMMJDNB-HXUWFJFHSA-N 1 3 355.507 2.800 20 0 FFADHO CN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC001222012252 1032649585 /nfs/dbraw/zinc/64/95/85/1032649585.db2.gz ZPRLZCIFFUWXTF-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC001222012252 1032649591 /nfs/dbraw/zinc/64/95/91/1032649591.db2.gz ZPRLZCIFFUWXTF-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CCCN(C)C1 ZINC001222012252 1032649603 /nfs/dbraw/zinc/64/96/03/1032649603.db2.gz ZPRLZCIFFUWXTF-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC001275760946 1012969628 /nfs/dbraw/zinc/96/96/28/1012969628.db2.gz ICWVEDYQPMQHOP-RTBURBONSA-N 1 3 363.933 2.900 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCc1ccc(Cl)cc1 ZINC001275760946 1012969642 /nfs/dbraw/zinc/96/96/42/1012969642.db2.gz ICWVEDYQPMQHOP-RTBURBONSA-N 1 3 363.933 2.900 20 0 FFADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001275769966 1012982823 /nfs/dbraw/zinc/98/28/23/1012982823.db2.gz BEFICJHVENEISE-GUDVDZBRSA-N 1 3 367.578 2.581 20 0 FFADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001275769966 1012982835 /nfs/dbraw/zinc/98/28/35/1012982835.db2.gz BEFICJHVENEISE-GUDVDZBRSA-N 1 3 367.578 2.581 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000925564389 1017787038 /nfs/dbraw/zinc/78/70/38/1017787038.db2.gz ILOSFFHWBKFBOM-UXPWSPDFSA-N 1 3 372.509 2.830 20 0 FFADHO Fc1ccc([C@@H](NCCCCCN2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000925842567 1017865196 /nfs/dbraw/zinc/86/51/96/1017865196.db2.gz ALKDJWMTQAKOGY-OAQYLSRUSA-N 1 3 356.489 2.975 20 0 FFADHO Cc1c([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1-c1ccccc1 ZINC000925855079 1017877098 /nfs/dbraw/zinc/87/70/98/1017877098.db2.gz OFHDDWBUYWLCEM-QAPCUYQASA-N 1 3 368.481 2.517 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000925938139 1017912941 /nfs/dbraw/zinc/91/29/41/1017912941.db2.gz LWQFTYRDBHLTPA-STQMWFEESA-N 1 3 374.407 2.500 20 0 FFADHO CC(C)(C)[NH+]1CCC(N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679044706 1017924231 /nfs/dbraw/zinc/92/42/31/1017924231.db2.gz PNYMJABMRZHWSH-QFIPXVFZSA-N 1 3 359.558 2.866 20 0 FFADHO CC1([NH+]2CCCC2)CCC(NC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000926152369 1017990116 /nfs/dbraw/zinc/99/01/16/1017990116.db2.gz HFSMJGHXRVKRAN-UHFFFAOYSA-N 1 3 357.502 2.646 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000927001269 1018320456 /nfs/dbraw/zinc/32/04/56/1018320456.db2.gz HYQVFYUOAKIYEZ-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000927001269 1018320463 /nfs/dbraw/zinc/32/04/63/1018320463.db2.gz HYQVFYUOAKIYEZ-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO C[N@H+](C[C@@H]1OCCc2ccccc21)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711997 1018573476 /nfs/dbraw/zinc/57/34/76/1018573476.db2.gz WSAPALWXJCSUIH-XZOQPEGZSA-N 1 3 366.505 2.869 20 0 FFADHO C[N@@H+](C[C@@H]1OCCc2ccccc21)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711997 1018573482 /nfs/dbraw/zinc/57/34/82/1018573482.db2.gz WSAPALWXJCSUIH-XZOQPEGZSA-N 1 3 366.505 2.869 20 0 FFADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000681979685 1018659012 /nfs/dbraw/zinc/65/90/12/1018659012.db2.gz BHPIKIKDTDKQJD-AOCRQIFASA-N 1 3 369.509 2.914 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(Cc4ccccc4F)C3)C2)CC[N@@H+]1C ZINC001041297511 1018770440 /nfs/dbraw/zinc/77/04/40/1018770440.db2.gz QGVRNBBSVBCODV-BLIXFSHQSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(Cc4ccccc4F)C3)C2)CC[N@H+]1C ZINC001041297511 1018770457 /nfs/dbraw/zinc/77/04/57/1018770457.db2.gz QGVRNBBSVBCODV-BLIXFSHQSA-N 1 3 359.489 2.590 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1(C)C ZINC000827863629 1018800394 /nfs/dbraw/zinc/80/03/94/1018800394.db2.gz MDZROHJRSQKNGO-NQIIRXRSSA-N 1 3 365.562 2.680 20 0 FFADHO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(C)CC2)C3)c1 ZINC001098096908 1019506421 /nfs/dbraw/zinc/50/64/21/1019506421.db2.gz LFZMUSKKUOVLLH-NRSPTQNISA-N 1 3 371.525 2.649 20 0 FFADHO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(C)CC2)C3)c1 ZINC001098096908 1019506434 /nfs/dbraw/zinc/50/64/34/1019506434.db2.gz LFZMUSKKUOVLLH-NRSPTQNISA-N 1 3 371.525 2.649 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCCc2ccc(F)cc21 ZINC001110981657 1019844999 /nfs/dbraw/zinc/84/49/99/1019844999.db2.gz XHJSVVFYWWPUGD-AFYVEPGGSA-N 1 3 359.489 2.876 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(Cc2cc4ccccc4o2)C3)CC[N@@H+]1C ZINC001072752177 1020301056 /nfs/dbraw/zinc/30/10/56/1020301056.db2.gz YAIRYVFXWNPJFU-VQIMIIECSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(Cc2cc4ccccc4o2)C3)CC[N@H+]1C ZINC001072752177 1020301068 /nfs/dbraw/zinc/30/10/68/1020301068.db2.gz YAIRYVFXWNPJFU-VQIMIIECSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(Cc4ccccn4)C3)C2)CC[N@@H+]1C ZINC001045938457 1020350628 /nfs/dbraw/zinc/35/06/28/1020350628.db2.gz BNXBNYDCXOCEEQ-UZKOGDIHSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(Cc4ccccn4)C3)C2)CC[N@H+]1C ZINC001045938457 1020350634 /nfs/dbraw/zinc/35/06/34/1020350634.db2.gz BNXBNYDCXOCEEQ-UZKOGDIHSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCOC)N(CC)CC ZINC001111018258 1020605647 /nfs/dbraw/zinc/60/56/47/1020605647.db2.gz OHFQGHJQSLEYJZ-MKXGPGLRSA-N 1 3 353.551 2.645 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCOC)N(CC)CC ZINC001111018258 1020605653 /nfs/dbraw/zinc/60/56/53/1020605653.db2.gz OHFQGHJQSLEYJZ-MKXGPGLRSA-N 1 3 353.551 2.645 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c1 ZINC001098217712 1020739465 /nfs/dbraw/zinc/73/94/65/1020739465.db2.gz HABNYIXIGFSPGN-NCYKPQTJSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1 ZINC001098217712 1020739470 /nfs/dbraw/zinc/73/94/70/1020739470.db2.gz HABNYIXIGFSPGN-NCYKPQTJSA-N 1 3 355.526 2.812 20 0 FFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CCC3(CC2)OCCO3)CC1 ZINC000903373831 1020811133 /nfs/dbraw/zinc/81/11/33/1020811133.db2.gz DOEOATGDAYUICZ-MJGOQNOKSA-N 1 3 366.546 2.667 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000934430713 1021235826 /nfs/dbraw/zinc/23/58/26/1021235826.db2.gz XORIETAWRNCHLI-FQEVSTJZSA-N 1 3 359.514 2.702 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCF)C3)C1 ZINC001099030032 1021633725 /nfs/dbraw/zinc/63/37/25/1021633725.db2.gz UJWAYBQGSSOYLQ-SNRMKQJTSA-N 1 3 357.489 2.529 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCF)C3)C1 ZINC001099030032 1021633732 /nfs/dbraw/zinc/63/37/32/1021633732.db2.gz UJWAYBQGSSOYLQ-SNRMKQJTSA-N 1 3 357.489 2.529 20 0 FFADHO c1nn(CC[NH+]2CCCC2)cc1-c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001222488214 1033004959 /nfs/dbraw/zinc/00/49/59/1033004959.db2.gz JZOXGNVBZWDFRI-NRFANRHFSA-N 1 3 365.481 2.560 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122613 1021864907 /nfs/dbraw/zinc/86/49/07/1021864907.db2.gz CFRHSQCPIUFGQJ-AVRDEDQJSA-N 1 3 371.500 2.701 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(C(C)C)n3)C2)CC[N@@H+]1C ZINC001020173978 1022577747 /nfs/dbraw/zinc/57/77/47/1022577747.db2.gz ONACIDCKPWREQB-CGBFIWBNSA-N 1 3 358.530 2.672 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(C(C)C)n3)C2)CC[N@H+]1C ZINC001020173978 1022577754 /nfs/dbraw/zinc/57/77/54/1022577754.db2.gz ONACIDCKPWREQB-CGBFIWBNSA-N 1 3 358.530 2.672 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001099491578 1022621041 /nfs/dbraw/zinc/62/10/41/1022621041.db2.gz SVDCEKJJFGTVPO-SCTDSRPQSA-N 1 3 371.516 2.836 20 0 FFADHO Cc1ccncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001099497361 1022633103 /nfs/dbraw/zinc/63/31/03/1022633103.db2.gz XDNYLXSPUDMTNX-VCOUNFBDSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1cccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)c1 ZINC001099506606 1022647954 /nfs/dbraw/zinc/64/79/54/1022647954.db2.gz RMZNSDQZYFBPHW-RXVVDRJESA-N 1 3 352.482 2.679 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccn2)C1 ZINC001099540282 1022713575 /nfs/dbraw/zinc/71/35/75/1022713575.db2.gz WJOCUDZILRKBCC-DWLFOUALSA-N 1 3 370.541 2.674 20 0 FFADHO C[NH+]1C[C@]2(C)CN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@]2(C)C1 ZINC001119900858 1023152850 /nfs/dbraw/zinc/15/28/50/1023152850.db2.gz MGQWOQJPYBQRQD-PWIZWCRZSA-N 1 3 351.535 2.907 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC001120622396 1023392332 /nfs/dbraw/zinc/39/23/32/1023392332.db2.gz KXZDNQBZPGOUTL-KBRIMQKVSA-N 1 3 352.910 2.759 20 0 FFADHO [NH3+][C@H]1CCCn2nc(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)cc21 ZINC001121904028 1024154463 /nfs/dbraw/zinc/15/44/63/1024154463.db2.gz POQREUCOKCMHMT-HKUYNNGSSA-N 1 3 367.497 2.634 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001121909392 1024159389 /nfs/dbraw/zinc/15/93/89/1024159389.db2.gz QGRMIHFMFWEVHZ-IAGOWNOFSA-N 1 3 359.514 2.657 20 0 FFADHO [NH3+]CCc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC001121997119 1024248485 /nfs/dbraw/zinc/24/84/85/1024248485.db2.gz RJFKYADYLKPWLF-UHFFFAOYSA-N 1 3 367.493 2.644 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001101285335 1024327983 /nfs/dbraw/zinc/32/79/83/1024327983.db2.gz ZBHLZQLWOVHAQM-QAPCUYQASA-N 1 3 357.489 2.542 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001101285335 1024328001 /nfs/dbraw/zinc/32/80/01/1024328001.db2.gz ZBHLZQLWOVHAQM-QAPCUYQASA-N 1 3 357.489 2.542 20 0 FFADHO [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1)C1CCCC1 ZINC001122123119 1024359452 /nfs/dbraw/zinc/35/94/52/1024359452.db2.gz NTOOJILJLOHFOF-OXJNMPFZSA-N 1 3 371.525 2.928 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001218556981 1033219126 /nfs/dbraw/zinc/21/91/26/1033219126.db2.gz DGSNMWYEBBHZNA-LBPRGKRZSA-N 1 3 356.348 2.755 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@@]2(C)C1 ZINC001101443538 1024758980 /nfs/dbraw/zinc/75/89/80/1024758980.db2.gz JOVPMUZWFADITP-WBVHZDCISA-N 1 3 363.468 2.841 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@]2(C)C1 ZINC001101443538 1024758993 /nfs/dbraw/zinc/75/89/93/1024758993.db2.gz JOVPMUZWFADITP-WBVHZDCISA-N 1 3 363.468 2.841 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101443908 1024759719 /nfs/dbraw/zinc/75/97/19/1024759719.db2.gz QCBJMAHWICANMJ-JZXOWHBKSA-N 1 3 357.489 2.544 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101443908 1024759734 /nfs/dbraw/zinc/75/97/34/1024759734.db2.gz QCBJMAHWICANMJ-JZXOWHBKSA-N 1 3 357.489 2.544 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)c1 ZINC001101473029 1024837304 /nfs/dbraw/zinc/83/73/04/1024837304.db2.gz CEBSQSRCELSOJD-IRLDBZIGSA-N 1 3 370.541 2.546 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1 ZINC001101478231 1024848081 /nfs/dbraw/zinc/84/80/81/1024848081.db2.gz DZQFBEOLDOKVEC-NQIIRXRSSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1 ZINC001101478231 1024848098 /nfs/dbraw/zinc/84/80/98/1024848098.db2.gz DZQFBEOLDOKVEC-NQIIRXRSSA-N 1 3 361.505 2.755 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974671 1025232169 /nfs/dbraw/zinc/23/21/69/1025232169.db2.gz LPFGEYOUWBHPNV-NVXWUHKLSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974671 1025232180 /nfs/dbraw/zinc/23/21/80/1025232180.db2.gz LPFGEYOUWBHPNV-NVXWUHKLSA-N 1 3 371.516 2.980 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001111417080 1025331431 /nfs/dbraw/zinc/33/14/31/1025331431.db2.gz XWEJAGROAWGNQZ-WCIQWLHISA-N 1 3 363.546 2.543 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046146 1025351840 /nfs/dbraw/zinc/35/18/40/1025351840.db2.gz PAXAIZNPQIWQTB-GDSCYZHGSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046146 1025351855 /nfs/dbraw/zinc/35/18/55/1025351855.db2.gz PAXAIZNPQIWQTB-GDSCYZHGSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047374 1025354395 /nfs/dbraw/zinc/35/43/95/1025354395.db2.gz FGXJITUUMMYJBL-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047374 1025354409 /nfs/dbraw/zinc/35/44/09/1025354409.db2.gz FGXJITUUMMYJBL-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cccc(Br)c1F ZINC001203098093 1025523016 /nfs/dbraw/zinc/52/30/16/1025523016.db2.gz RHBIIHMOJJNJRA-ZDUSSCGKSA-N 1 3 360.315 2.950 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)N3CCN(C4CCCCC4)CC3)cn2)CC1 ZINC000637667826 1025525607 /nfs/dbraw/zinc/52/56/07/1025525607.db2.gz QHWFQIDONZGPLS-UHFFFAOYSA-N 1 3 374.533 2.632 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102215064 1025595215 /nfs/dbraw/zinc/59/52/15/1025595215.db2.gz ITHVOBFSWRDBRN-GDBMZVCRSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102215064 1025595225 /nfs/dbraw/zinc/59/52/25/1025595225.db2.gz ITHVOBFSWRDBRN-GDBMZVCRSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1CN([C@H]2CCc3c2cc(F)cc3F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318818 1025741547 /nfs/dbraw/zinc/74/15/47/1025741547.db2.gz LITGYOOUBVQCCZ-LPMFXHHGSA-N 1 3 365.468 2.588 20 0 FFADHO CN(C(=O)Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000638271863 1025759209 /nfs/dbraw/zinc/75/92/09/1025759209.db2.gz FAWWUYBTUPMVTJ-OAQYLSRUSA-N 1 3 363.505 2.608 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001102330190 1025759724 /nfs/dbraw/zinc/75/97/24/1025759724.db2.gz HYNYWUOSFFHUKI-OZOXKJRCSA-N 1 3 370.541 2.938 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001102330190 1025759731 /nfs/dbraw/zinc/75/97/31/1025759731.db2.gz HYNYWUOSFFHUKI-OZOXKJRCSA-N 1 3 370.541 2.938 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638364398 1025805951 /nfs/dbraw/zinc/80/59/51/1025805951.db2.gz ZKNVVLIOWNVJPC-LSWJPFSZSA-N 1 3 370.585 2.970 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102370043 1025824506 /nfs/dbraw/zinc/82/45/06/1025824506.db2.gz OZRWBRJIKUHRTG-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102370043 1025824529 /nfs/dbraw/zinc/82/45/29/1025824529.db2.gz OZRWBRJIKUHRTG-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375714 1025845120 /nfs/dbraw/zinc/84/51/20/1025845120.db2.gz YCNJTSNURPXSDY-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375714 1025845138 /nfs/dbraw/zinc/84/51/38/1025845138.db2.gz YCNJTSNURPXSDY-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCCOC)C[C@H]1C ZINC001102471962 1026033480 /nfs/dbraw/zinc/03/34/80/1026033480.db2.gz ABLLURUQQOGXAG-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCOC)C[C@H]1C ZINC001102471962 1026033506 /nfs/dbraw/zinc/03/35/06/1026033506.db2.gz ABLLURUQQOGXAG-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639057842 1026148840 /nfs/dbraw/zinc/14/88/40/1026148840.db2.gz VUYGUJWPTGCGOE-LSWJPFSZSA-N 1 3 370.585 2.970 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102525306 1026214234 /nfs/dbraw/zinc/21/42/34/1026214234.db2.gz VUBLJHPCXRJYAS-VQIMIIECSA-N 1 3 356.514 2.694 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102525306 1026214243 /nfs/dbraw/zinc/21/42/43/1026214243.db2.gz VUBLJHPCXRJYAS-VQIMIIECSA-N 1 3 356.514 2.694 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102525140 1026216921 /nfs/dbraw/zinc/21/69/21/1026216921.db2.gz MQSUKMJOFKATJA-RBSFLKMASA-N 1 3 364.361 2.596 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102525140 1026216933 /nfs/dbraw/zinc/21/69/33/1026216933.db2.gz MQSUKMJOFKATJA-RBSFLKMASA-N 1 3 364.361 2.596 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1C ZINC001102600991 1026401381 /nfs/dbraw/zinc/40/13/81/1026401381.db2.gz GFMJGTFZWGOCME-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1C ZINC001102600991 1026401386 /nfs/dbraw/zinc/40/13/86/1026401386.db2.gz GFMJGTFZWGOCME-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO CSc1ccc(OC[C@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639684621 1026433227 /nfs/dbraw/zinc/43/32/27/1026433227.db2.gz XPSPSJHSXUCSKV-GOSISDBHSA-N 1 3 373.522 2.756 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000640552476 1026793828 /nfs/dbraw/zinc/79/38/28/1026793828.db2.gz WHEDXZBZJDHUQI-NRFANRHFSA-N 1 3 358.530 2.602 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083648 1026944187 /nfs/dbraw/zinc/94/41/87/1026944187.db2.gz BYFUSLGSSZNLKL-GDBMZVCRSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083648 1026944192 /nfs/dbraw/zinc/94/41/92/1026944192.db2.gz BYFUSLGSSZNLKL-GDBMZVCRSA-N 1 3 357.489 2.590 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001103111842 1026972020 /nfs/dbraw/zinc/97/20/20/1026972020.db2.gz QWVJUDVIVUMPAV-LMMKCTJWSA-N 1 3 365.587 2.951 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001103111842 1026972028 /nfs/dbraw/zinc/97/20/28/1026972028.db2.gz QWVJUDVIVUMPAV-LMMKCTJWSA-N 1 3 365.587 2.951 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2nc(C)oc2C)C[C@H]1C ZINC001103157911 1027013482 /nfs/dbraw/zinc/01/34/82/1027013482.db2.gz IRTLKHMHFRXHON-RHSMWYFYSA-N 1 3 364.534 2.596 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2nc(C)oc2C)C[C@H]1C ZINC001103157911 1027013490 /nfs/dbraw/zinc/01/34/90/1027013490.db2.gz IRTLKHMHFRXHON-RHSMWYFYSA-N 1 3 364.534 2.596 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1C ZINC001103157756 1027013757 /nfs/dbraw/zinc/01/37/57/1027013757.db2.gz BBHGMXYKCCYSLP-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC001103157756 1027013763 /nfs/dbraw/zinc/01/37/63/1027013763.db2.gz BBHGMXYKCCYSLP-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO CN1CCC(N(c2ncc3ccc(Cl)cc3n2)C2CC[NH2+]CC2)CC1 ZINC001158580666 1027066653 /nfs/dbraw/zinc/06/66/53/1027066653.db2.gz ITDSMBJVPMAJQD-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2c2nc(C)cc3[nH]ccc32)c1 ZINC001159054086 1027248593 /nfs/dbraw/zinc/24/85/93/1027248593.db2.gz KSZYSAXFTZRKBO-SFHVURJKSA-N 1 3 350.422 2.809 20 0 FFADHO O=c1[nH]c2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2[nH]1 ZINC000641772924 1027297439 /nfs/dbraw/zinc/29/74/39/1027297439.db2.gz UENXFXQENCNPCQ-UHFFFAOYSA-N 1 3 351.454 2.665 20 0 FFADHO c1cc(OCC2CC[NH2+]CC2)ncc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001159344553 1027360935 /nfs/dbraw/zinc/36/09/35/1027360935.db2.gz TVJTYASUPFYEMZ-FQEVSTJZSA-N 1 3 372.513 2.641 20 0 FFADHO c1cc(OCC2CC[NH2+]CC2)ncc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001159344554 1027362644 /nfs/dbraw/zinc/36/26/44/1027362644.db2.gz TVJTYASUPFYEMZ-HXUWFJFHSA-N 1 3 372.513 2.641 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C)N(C)C ZINC001103407621 1027416179 /nfs/dbraw/zinc/41/61/79/1027416179.db2.gz LZELFULJJDKPOJ-YVWKXTFCSA-N 1 3 363.521 2.986 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C)N(C)C ZINC001103407621 1027416191 /nfs/dbraw/zinc/41/61/91/1027416191.db2.gz LZELFULJJDKPOJ-YVWKXTFCSA-N 1 3 363.521 2.986 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H](N)CC3CCC3)C[C@@H]21 ZINC001160424713 1027700470 /nfs/dbraw/zinc/70/04/70/1027700470.db2.gz ZCQVSEJVIZOJND-BVOGOJNSSA-N 1 3 370.541 2.658 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H](N)CC3CCC3)C[C@@H]21 ZINC001160424713 1027700488 /nfs/dbraw/zinc/70/04/88/1027700488.db2.gz ZCQVSEJVIZOJND-BVOGOJNSSA-N 1 3 370.541 2.658 20 0 FFADHO CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160463515 1027716494 /nfs/dbraw/zinc/71/64/94/1027716494.db2.gz KOVGVYVJYMTTHM-MOPGFXCFSA-N 1 3 363.933 2.947 20 0 FFADHO CCN(CCc1c(F)cccc1F)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153485130 1027902729 /nfs/dbraw/zinc/90/27/29/1027902729.db2.gz NKWDPRDOUBPPGB-BZUAXINKSA-N 1 3 367.484 2.674 20 0 FFADHO CCN(CCc1c(F)cccc1F)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153485130 1027902740 /nfs/dbraw/zinc/90/27/40/1027902740.db2.gz NKWDPRDOUBPPGB-BZUAXINKSA-N 1 3 367.484 2.674 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(n2ccc3ccccc32)CC1 ZINC001160872640 1027905767 /nfs/dbraw/zinc/90/57/67/1027905767.db2.gz NQDBVXAAIHEVIW-IBGZPJMESA-N 1 3 366.509 2.679 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(n2ccc3ccccc32)CC1 ZINC001160872640 1027905782 /nfs/dbraw/zinc/90/57/82/1027905782.db2.gz NQDBVXAAIHEVIW-IBGZPJMESA-N 1 3 366.509 2.679 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000249065262 1027943306 /nfs/dbraw/zinc/94/33/06/1027943306.db2.gz ZGUHWTZWTBGKMC-BRSBDYLESA-N 1 3 369.550 2.863 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000643379258 1027956570 /nfs/dbraw/zinc/95/65/70/1027956570.db2.gz RPHLZCRDKONEGD-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000643379258 1027956587 /nfs/dbraw/zinc/95/65/87/1027956587.db2.gz RPHLZCRDKONEGD-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC001103678568 1027963822 /nfs/dbraw/zinc/96/38/22/1027963822.db2.gz YKLZGOZXWKOVOY-YLJYHZDGSA-N 1 3 368.525 2.968 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C ZINC001103678568 1027963837 /nfs/dbraw/zinc/96/38/37/1027963837.db2.gz YKLZGOZXWKOVOY-YLJYHZDGSA-N 1 3 368.525 2.968 20 0 FFADHO CC(C)N(CCC(=O)c1ccc2ccccc2c1)C(=O)[C@@H](N)CCC[NH3+] ZINC001160997733 1027964607 /nfs/dbraw/zinc/96/46/07/1027964607.db2.gz QNPVFPWOOZTRLS-IBGZPJMESA-N 1 3 355.482 2.716 20 0 FFADHO O=C(CNc1cc(N2CCCC2)cc[nH+]1)N1CCN(C2CCCCC2)CC1 ZINC001161058649 1027992620 /nfs/dbraw/zinc/99/26/20/1027992620.db2.gz BGSYLEUERXOCMW-UHFFFAOYSA-N 1 3 371.529 2.571 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC001161081131 1028001061 /nfs/dbraw/zinc/00/10/61/1028001061.db2.gz FOFCTXWACYMMCT-XZJROXQQSA-N 1 3 356.297 2.936 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC001161081131 1028001080 /nfs/dbraw/zinc/00/10/80/1028001080.db2.gz FOFCTXWACYMMCT-XZJROXQQSA-N 1 3 356.297 2.936 20 0 FFADHO CN1CCC[C@@H]2CN(C(=O)c3c(Cl)cc4c(c3Cl)CC[NH2+]C4)C[C@@H]21 ZINC001161085461 1028005178 /nfs/dbraw/zinc/00/51/78/1028005178.db2.gz YJGREJOQMJIIMH-ABAIWWIYSA-N 1 3 368.308 2.805 20 0 FFADHO CN(CCN(C)C(=O)C[C@@H]1Cc2ccccc2C[NH2+]1)Cc1ccccc1 ZINC001161161088 1028043633 /nfs/dbraw/zinc/04/36/33/1028043633.db2.gz MKZSOJPEGZAZCS-NRFANRHFSA-N 1 3 351.494 2.681 20 0 FFADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001161309417 1028127978 /nfs/dbraw/zinc/12/79/78/1028127978.db2.gz POERYPPONUEXKG-BUMILGAPSA-N 1 3 368.525 2.582 20 0 FFADHO Cc1c2ccccc2sc1CC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161444505 1028177145 /nfs/dbraw/zinc/17/71/45/1028177145.db2.gz IUROGHVSQLTBIG-INIZCTEOSA-N 1 3 359.539 2.894 20 0 FFADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592465 1028245123 /nfs/dbraw/zinc/24/51/23/1028245123.db2.gz SEPANDFZXBSHHD-ZBFHGGJFSA-N 1 3 367.415 2.538 20 0 FFADHO Fc1ccccc1[C@H](CC1CC[NH2+]CC1)Nc1ncc2c(n1)CCNC2 ZINC001162234765 1028476809 /nfs/dbraw/zinc/47/68/09/1028476809.db2.gz ZUCDMFQXZZYEJG-IBGZPJMESA-N 1 3 355.461 2.804 20 0 FFADHO FC(F)(F)c1nn(-c2ccc(C[NH+]3CCCC3)cn2)c2c1CNCC2 ZINC001154847358 1028480886 /nfs/dbraw/zinc/48/08/86/1028480886.db2.gz SYKAMMNFVZAVGB-UHFFFAOYSA-N 1 3 351.376 2.528 20 0 FFADHO c1c([C@@H]2CNCCO2)cn2c1cccc2NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162810426 1028664748 /nfs/dbraw/zinc/66/47/48/1028664748.db2.gz TXLQLCYONDEHNH-NRFANRHFSA-N 1 3 362.477 2.858 20 0 FFADHO C[NH+](C)C[C@H](Nc1cc2c(nn1)CCNC2)C12CC3CC(CC(C3)C1)C2 ZINC001162813715 1028666203 /nfs/dbraw/zinc/66/62/03/1028666203.db2.gz AXMJUYMAITYALS-IXYLRAAXSA-N 1 3 355.530 2.681 20 0 FFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N1C[C@H]([NH3+])Cc2ccccc21 ZINC001162845366 1028677838 /nfs/dbraw/zinc/67/78/38/1028677838.db2.gz SGDBFCQTBWZXCP-CQSZACIVSA-N 1 3 353.470 2.546 20 0 FFADHO FC(F)(F)c1ccc2nccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001163322084 1028892215 /nfs/dbraw/zinc/89/22/15/1028892215.db2.gz GOEWWNLHZPSLID-DYVFJYSZSA-N 1 3 351.372 2.999 20 0 FFADHO COC(=O)c1ccc([C@H]([NH3+])CNc2ccc(CN(C)C3CC3)cn2)cc1 ZINC001163465632 1028937689 /nfs/dbraw/zinc/93/76/89/1028937689.db2.gz HBVQWZHXDHITSW-GOSISDBHSA-N 1 3 354.454 2.574 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001157597168 1029626826 /nfs/dbraw/zinc/62/68/26/1029626826.db2.gz LCYYVIINNAWNQK-FPOVZHCZSA-N 1 3 368.525 2.915 20 0 FFADHO N[C@H](C(=O)N1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC001157959728 1029692658 /nfs/dbraw/zinc/69/26/58/1029692658.db2.gz FCNIRRVGYNJJMN-IRXDYDNUSA-N 1 3 374.282 2.622 20 0 FFADHO NCc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)ncn1 ZINC001158088848 1029732245 /nfs/dbraw/zinc/73/22/45/1029732245.db2.gz QZHFTQMHHGZVCR-UHFFFAOYSA-N 1 3 365.403 2.713 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@H](C)c2cc(F)ccc2F)CC[N@@H+]1C ZINC001158411568 1029822672 /nfs/dbraw/zinc/82/26/72/1029822672.db2.gz FZIGZRBNWHXYFQ-QIIPPGSGSA-N 1 3 353.457 2.852 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@H](C)c2cc(F)ccc2F)CC[N@H+]1C ZINC001158411568 1029822680 /nfs/dbraw/zinc/82/26/80/1029822680.db2.gz FZIGZRBNWHXYFQ-QIIPPGSGSA-N 1 3 353.457 2.852 20 0 FFADHO CCN1CCN(c2ccc(Nc3cccnc3O[C@H]3CC[NH2+]C3)cc2)CC1 ZINC001165213173 1029902019 /nfs/dbraw/zinc/90/20/19/1029902019.db2.gz RZHUJROLWDVZFE-IBGZPJMESA-N 1 3 367.497 2.708 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166213 1030131307 /nfs/dbraw/zinc/13/13/07/1030131307.db2.gz JXNLUBFQYFKHKE-FVQBIDKESA-N 1 3 363.468 2.743 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC)C1 ZINC001112180013 1030161810 /nfs/dbraw/zinc/16/18/10/1030161810.db2.gz ZESUVVJJVYHSHS-HUUCEWRRSA-N 1 3 351.457 2.887 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)Nc2cccc(OCC[NH3+])c2)N(C)C)cc1 ZINC000841288620 1030163502 /nfs/dbraw/zinc/16/35/02/1030163502.db2.gz PVPMCDMANNSVJM-LJQANCHMSA-N 1 3 356.470 2.757 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(CC)CC)C1 ZINC001112198286 1030216107 /nfs/dbraw/zinc/21/61/07/1030216107.db2.gz MWQOZMGLQJWGKZ-HUUCEWRRSA-N 1 3 351.457 2.743 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841819411 1030486422 /nfs/dbraw/zinc/48/64/22/1030486422.db2.gz CPNVUNBHQYILSE-IRLDBZIGSA-N 1 3 370.541 2.999 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)CN1Cc1ccccc1 ZINC000841854878 1030503919 /nfs/dbraw/zinc/50/39/19/1030503919.db2.gz FXAFGQOZRVBVDZ-LAUBAEHRSA-N 1 3 366.509 2.650 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](CO)Cc2ccoc2)CC1 ZINC001203491198 1030727713 /nfs/dbraw/zinc/72/77/13/1030727713.db2.gz IMNUCQUINRXAIJ-HXUWFJFHSA-N 1 3 371.525 2.752 20 0 FFADHO Cc1ccc2c(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000842478558 1030754169 /nfs/dbraw/zinc/75/41/69/1030754169.db2.gz HWHFZTJLCINNKS-NQIIRXRSSA-N 1 3 356.466 2.820 20 0 FFADHO CN1CCN(Cc2cccc(Nc3cnc4c(c3)C[N@@H+](C)CC4)c2)CC1 ZINC001204503704 1031323190 /nfs/dbraw/zinc/32/31/90/1031323190.db2.gz UPSJHOPVTFBMDY-UHFFFAOYSA-N 1 3 351.498 2.561 20 0 FFADHO CN1CCN(Cc2cccc(Nc3cnc4c(c3)C[N@H+](C)CC4)c2)CC1 ZINC001204503704 1031323201 /nfs/dbraw/zinc/32/32/01/1031323201.db2.gz UPSJHOPVTFBMDY-UHFFFAOYSA-N 1 3 351.498 2.561 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CCC3(C2)CC[NH2+]CC3)C(C)C)cc1 ZINC000843363796 1031356977 /nfs/dbraw/zinc/35/69/77/1031356977.db2.gz AQJOQBLDBCAZSX-HXUWFJFHSA-N 1 3 359.514 2.584 20 0 FFADHO CCN1CCCN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000798480075 1031428097 /nfs/dbraw/zinc/42/80/97/1031428097.db2.gz FJGPOQLHPGUMMV-NRFANRHFSA-N 1 3 358.530 2.636 20 0 FFADHO CCN1CCCN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798480075 1031428106 /nfs/dbraw/zinc/42/81/06/1031428106.db2.gz FJGPOQLHPGUMMV-NRFANRHFSA-N 1 3 358.530 2.636 20 0 FFADHO C[NH+]1CCC2(CCCN(CC(=O)N(Cc3ccccc3)C3CC3)C2)CC1 ZINC000799177295 1031683445 /nfs/dbraw/zinc/68/34/45/1031683445.db2.gz LHHMFPHXTPUQCG-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1nc(C)c(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCCC2)o1 ZINC001115543310 1031817174 /nfs/dbraw/zinc/81/71/74/1031817174.db2.gz AFVYAIIQJKIZTQ-NVXWUHKLSA-N 1 3 362.518 2.540 20 0 FFADHO Cc1nc(C)c(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCCC2)o1 ZINC001115543310 1031817180 /nfs/dbraw/zinc/81/71/80/1031817180.db2.gz AFVYAIIQJKIZTQ-NVXWUHKLSA-N 1 3 362.518 2.540 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001205663460 1031915353 /nfs/dbraw/zinc/91/53/53/1031915353.db2.gz AVPCCYRNYVDDNW-VDZJLULYSA-N 1 3 367.484 2.800 20 0 FFADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC001218840953 1033370006 /nfs/dbraw/zinc/37/00/06/1033370006.db2.gz VGHLROQQMVHCBS-ZDUSSCGKSA-N 1 3 358.408 2.700 20 0 FFADHO [NH3+][C@H]1CC[C@@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001218845809 1033371088 /nfs/dbraw/zinc/37/10/88/1033371088.db2.gz PSIFKSUEVMTQAH-SFTDATJTSA-N 1 3 364.493 2.685 20 0 FFADHO COc1ccccc1Oc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218856962 1033378793 /nfs/dbraw/zinc/37/87/93/1033378793.db2.gz KFCMVKRTNKVNNE-QVKFZJNVSA-N 1 3 367.449 2.625 20 0 FFADHO COc1ccccc1Oc1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218858577 1033381443 /nfs/dbraw/zinc/38/14/43/1033381443.db2.gz ZVKGVAXNJUCTST-LJQANCHMSA-N 1 3 355.438 2.753 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(Oc2cc[nH]c(=O)c2)cc1 ZINC001218985008 1033443915 /nfs/dbraw/zinc/44/39/15/1033443915.db2.gz UQODNCLTIWJQHV-KRWDZBQOSA-N 1 3 358.442 2.577 20 0 FFADHO [NH3+][C@@H](CC(=O)Nc1ccc2c(c1)CNCCO2)Cc1ccccc1Cl ZINC001219028222 1033476152 /nfs/dbraw/zinc/47/61/52/1033476152.db2.gz VFMFVZVHJZCNPH-OAHLLOKOSA-N 1 3 359.857 2.721 20 0 FFADHO Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219225632 1033561347 /nfs/dbraw/zinc/56/13/47/1033561347.db2.gz FXMOHEFFSQMUGS-IBGZPJMESA-N 1 3 366.465 2.513 20 0 FFADHO N[C@H](CC(=O)NC1CC2(C1)CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC001219777465 1033809329 /nfs/dbraw/zinc/80/93/29/1033809329.db2.gz ISFPAEMVHKLGQZ-OAHLLOKOSA-N 1 3 355.404 2.744 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC001224843310 1034029726 /nfs/dbraw/zinc/02/97/26/1034029726.db2.gz ALDUELSNZKYCBG-BZSNNMDCSA-N 1 3 364.578 2.869 20 0 FFADHO CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001220335027 1034123412 /nfs/dbraw/zinc/12/34/12/1034123412.db2.gz GVQOMOOEEIDROX-YJBOKZPZSA-N 1 3 351.922 2.707 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC001220621559 1034295804 /nfs/dbraw/zinc/29/58/04/1034295804.db2.gz HSKJLAUPVPTWRZ-WOJBJXKFSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC001220621559 1034295815 /nfs/dbraw/zinc/29/58/15/1034295815.db2.gz HSKJLAUPVPTWRZ-WOJBJXKFSA-N 1 3 358.530 2.559 20 0 FFADHO N[C@@H](Cc1cccc2ccccc21)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743874 1034368562 /nfs/dbraw/zinc/36/85/62/1034368562.db2.gz TUNCRKIXOFYRGD-QFIPXVFZSA-N 1 3 374.488 2.890 20 0 FFADHO N[C@]1(C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)CCc2cc(F)ccc2C1 ZINC001220917227 1034458515 /nfs/dbraw/zinc/45/85/15/1034458515.db2.gz SCDHYLFCVGYOOP-RBBKRZOGSA-N 1 3 373.516 2.783 20 0 FFADHO N[C@]1(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CCc2cc(F)ccc2C1 ZINC001220917227 1034458524 /nfs/dbraw/zinc/45/85/24/1034458524.db2.gz SCDHYLFCVGYOOP-RBBKRZOGSA-N 1 3 373.516 2.783 20 0 FFADHO CCc1cc2c(cc1CC)CC(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C2 ZINC001220972936 1034485087 /nfs/dbraw/zinc/48/50/87/1034485087.db2.gz OURAHVHSCCIDOJ-NRFANRHFSA-N 1 3 359.558 2.890 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)cc1 ZINC001221248062 1034625214 /nfs/dbraw/zinc/62/52/14/1034625214.db2.gz IHBGFNGWMUDERD-AZUAARDMSA-N 1 3 361.555 2.594 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1 ZINC001138771178 1034638192 /nfs/dbraw/zinc/63/81/92/1034638192.db2.gz GZJZBTPHYJJFTG-FCHUYYIVSA-N 1 3 374.525 2.787 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC001138771971 1034640274 /nfs/dbraw/zinc/64/02/74/1034640274.db2.gz BQNWUFQPLCVDJR-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CN(CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001221433481 1034755386 /nfs/dbraw/zinc/75/53/86/1034755386.db2.gz JEEPCNOCZIOSAP-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CN(CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001221433481 1034755391 /nfs/dbraw/zinc/75/53/91/1034755391.db2.gz JEEPCNOCZIOSAP-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001226800997 1034845487 /nfs/dbraw/zinc/84/54/87/1034845487.db2.gz RIAOJCLPTVVULA-AQNXPRMDSA-N 1 3 361.505 2.991 20 0 FFADHO CN(C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCCN(C)C1 ZINC001227136793 1034946310 /nfs/dbraw/zinc/94/63/10/1034946310.db2.gz ODRSEXQUHSYFOI-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC001227149612 1034949788 /nfs/dbraw/zinc/94/97/88/1034949788.db2.gz AAKBPVVADYUAJV-KZNAEPCWSA-N 1 3 353.551 2.693 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221657364 1034957814 /nfs/dbraw/zinc/95/78/14/1034957814.db2.gz SVBMBIMDEQUJQJ-QZTJIDSGSA-N 1 3 363.571 2.944 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221657364 1034957819 /nfs/dbraw/zinc/95/78/19/1034957819.db2.gz SVBMBIMDEQUJQJ-QZTJIDSGSA-N 1 3 363.571 2.944 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21 ZINC001221848491 1035111250 /nfs/dbraw/zinc/11/12/50/1035111250.db2.gz RHZKMBDBGGMJEY-GUDVDZBRSA-N 1 3 353.526 2.922 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21 ZINC001221848491 1035111253 /nfs/dbraw/zinc/11/12/53/1035111253.db2.gz RHZKMBDBGGMJEY-GUDVDZBRSA-N 1 3 353.526 2.922 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccns1)CC2 ZINC001232189271 1035492384 /nfs/dbraw/zinc/49/23/84/1035492384.db2.gz AIULVVANBBDYLF-QGZVFWFLSA-N 1 3 358.511 2.794 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccns1)CC2 ZINC001232189271 1035492388 /nfs/dbraw/zinc/49/23/88/1035492388.db2.gz AIULVVANBBDYLF-QGZVFWFLSA-N 1 3 358.511 2.794 20 0 FFADHO Cn1cnc2cc(C[N@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)ccc21 ZINC001140507210 1035532647 /nfs/dbraw/zinc/53/26/47/1035532647.db2.gz VEXBHDSTCBKLRV-DENIHFKCSA-N 1 3 368.525 2.754 20 0 FFADHO Cn1cnc2cc(C[N@@H+]3CC[C@@]4(CN(C)C[C@@H]4COCC4CC4)C3)ccc21 ZINC001140507210 1035532649 /nfs/dbraw/zinc/53/26/49/1035532649.db2.gz VEXBHDSTCBKLRV-DENIHFKCSA-N 1 3 368.525 2.754 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCOC1)N1CCCC1 ZINC001227900181 1035793584 /nfs/dbraw/zinc/79/35/84/1035793584.db2.gz JMFHAJLYHWVQEX-GUDVDZBRSA-N 1 3 365.562 2.695 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001228021319 1035881271 /nfs/dbraw/zinc/88/12/71/1035881271.db2.gz SEXZZEXJGCTJKJ-KRWDZBQOSA-N 1 3 354.498 2.615 20 0 FFADHO O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001277281964 1036016026 /nfs/dbraw/zinc/01/60/26/1036016026.db2.gz IISCDQIPEKRXCG-QGZVFWFLSA-N 1 3 366.387 2.940 20 0 FFADHO O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001277281964 1036016047 /nfs/dbraw/zinc/01/60/47/1036016047.db2.gz IISCDQIPEKRXCG-QGZVFWFLSA-N 1 3 366.387 2.940 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(COC)c1 ZINC001229229619 1036562980 /nfs/dbraw/zinc/56/29/80/1036562980.db2.gz BLKKKLLTGHKXFS-WOJBJXKFSA-N 1 3 361.530 2.692 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001233738693 1036738826 /nfs/dbraw/zinc/73/88/26/1036738826.db2.gz CNTJVPSGZPFWOB-HKUYNNGSSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001233738693 1036738846 /nfs/dbraw/zinc/73/88/46/1036738846.db2.gz CNTJVPSGZPFWOB-HKUYNNGSSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1CC ZINC001229853828 1036937257 /nfs/dbraw/zinc/93/72/57/1036937257.db2.gz WVPOYSFECWKSLL-QZTJIDSGSA-N 1 3 364.534 2.794 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1CC ZINC001229853828 1036937261 /nfs/dbraw/zinc/93/72/61/1036937261.db2.gz WVPOYSFECWKSLL-QZTJIDSGSA-N 1 3 364.534 2.794 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266448 1037185692 /nfs/dbraw/zinc/18/56/92/1037185692.db2.gz IIFYCFWAPHKRGL-RTBURBONSA-N 1 3 362.518 2.684 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC001230284742 1037196715 /nfs/dbraw/zinc/19/67/15/1037196715.db2.gz SPJZAUZYJMPDNR-RTBURBONSA-N 1 3 353.551 2.550 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001207280702 1037309877 /nfs/dbraw/zinc/30/98/77/1037309877.db2.gz ZCGOYVHBVAOJIG-IAGOWNOFSA-N 1 3 369.550 2.532 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001207280702 1037309894 /nfs/dbraw/zinc/30/98/94/1037309894.db2.gz ZCGOYVHBVAOJIG-IAGOWNOFSA-N 1 3 369.550 2.532 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001207281613 1037310852 /nfs/dbraw/zinc/31/08/52/1037310852.db2.gz FZGNPGYUFJCHDA-SFHVURJKSA-N 1 3 367.488 2.602 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001207281613 1037310871 /nfs/dbraw/zinc/31/08/71/1037310871.db2.gz FZGNPGYUFJCHDA-SFHVURJKSA-N 1 3 367.488 2.602 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](CC(C)(C)CN(C)C)C[C@H]12 ZINC001207282369 1037314478 /nfs/dbraw/zinc/31/44/78/1037314478.db2.gz OJVZPKAVUXTCJB-UNMCSNQZSA-N 1 3 357.542 2.839 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CC(C)(C)CN(C)C)C[C@H]12 ZINC001207282369 1037314495 /nfs/dbraw/zinc/31/44/95/1037314495.db2.gz OJVZPKAVUXTCJB-UNMCSNQZSA-N 1 3 357.542 2.839 20 0 FFADHO c1ccc(C[NH+]2CCC(CN3CCN(c4ncccn4)CC3)CC2)cc1 ZINC001207286021 1037318828 /nfs/dbraw/zinc/31/88/28/1037318828.db2.gz BWNNEHLYFZLMTB-UHFFFAOYSA-N 1 3 351.498 2.511 20 0 FFADHO c1ccc(C[NH+]2CCC(CN3CCN(c4cccnn4)CC3)CC2)cc1 ZINC001207290821 1037322067 /nfs/dbraw/zinc/32/20/67/1037322067.db2.gz CMKBXWDFMOOWLK-UHFFFAOYSA-N 1 3 351.498 2.511 20 0 FFADHO [NH3+][C@]12C[C@H]1CN(Cc1ccccc1N1CCN(Cc3ccccc3)CC1)C2 ZINC001235146435 1037383440 /nfs/dbraw/zinc/38/34/40/1037383440.db2.gz KQULTZVTFAIBHI-GMAHTHKFSA-N 1 3 362.521 2.542 20 0 FFADHO CCOC(=O)c1cn2cccc(CN3CCC([C@H]4CCCC[NH2+]4)CC3)c2n1 ZINC001235242591 1037430667 /nfs/dbraw/zinc/43/06/67/1037430667.db2.gz SHEDITBXKBVONR-GOSISDBHSA-N 1 3 370.497 2.865 20 0 FFADHO c1ccc(CN2C[C@@H]3COC[C@H](C2)N3CCC[NH2+]C2CCCCC2)cc1 ZINC001235337107 1037487980 /nfs/dbraw/zinc/48/79/80/1037487980.db2.gz FRUYVORXFVPLCY-SZPZYZBQSA-N 1 3 357.542 2.884 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(Cl)c(F)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235349886 1037494512 /nfs/dbraw/zinc/49/45/12/1037494512.db2.gz QLVWZFXJAGWLRM-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO CCCc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001207550918 1037544589 /nfs/dbraw/zinc/54/45/89/1037544589.db2.gz NMKGHXPQKASAEY-HBGVWJBISA-N 1 3 357.542 2.916 20 0 FFADHO CCCc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001207550918 1037544603 /nfs/dbraw/zinc/54/46/03/1037544603.db2.gz NMKGHXPQKASAEY-HBGVWJBISA-N 1 3 357.542 2.916 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4ccc5c(c4)C[NH2+]C5)CCN3C2)c1 ZINC001235598081 1037636450 /nfs/dbraw/zinc/63/64/50/1037636450.db2.gz RVSRNACKROUKTM-IFMALSPDSA-N 1 3 367.468 2.766 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235715276 1037705505 /nfs/dbraw/zinc/70/55/05/1037705505.db2.gz OXROEFPHCFJXEI-HXUWFJFHSA-N 1 3 364.537 2.803 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235794262 1037748214 /nfs/dbraw/zinc/74/82/14/1037748214.db2.gz KMWKMWUQPSRZPX-INIZCTEOSA-N 1 3 354.336 2.983 20 0 FFADHO c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235839517 1037783146 /nfs/dbraw/zinc/78/31/46/1037783146.db2.gz CMAJCNBFETXTAB-VXKWHMMOSA-N 1 3 362.521 2.555 20 0 FFADHO CC(C)Oc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1Br ZINC001236082279 1037926111 /nfs/dbraw/zinc/92/61/11/1037926111.db2.gz BTHACZHPXVCSHZ-UHFFFAOYSA-N 1 3 370.335 2.573 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1)CC1CC1 ZINC001255631587 1038094496 /nfs/dbraw/zinc/09/44/96/1038094496.db2.gz YXIYVAXWVJHRGL-VQIMIIECSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1)CC1CC1 ZINC001255631587 1038094502 /nfs/dbraw/zinc/09/45/02/1038094502.db2.gz YXIYVAXWVJHRGL-VQIMIIECSA-N 1 3 350.551 2.623 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(CN(c4cccnc4)C3=O)CC2)CCCC1 ZINC001208193088 1038125944 /nfs/dbraw/zinc/12/59/44/1038125944.db2.gz ZRKGQGVEQBHPQZ-UHFFFAOYSA-N 1 3 356.514 2.632 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1[C@@H]2COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255941661 1038266823 /nfs/dbraw/zinc/26/68/23/1038266823.db2.gz WFTLENRVQXOXEK-WNRNVDISSA-N 1 3 369.550 2.578 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255941669 1038266874 /nfs/dbraw/zinc/26/68/74/1038266874.db2.gz WPTBJPAGLIKDNM-FUHIMQAGSA-N 1 3 369.550 2.580 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001255945412 1038269600 /nfs/dbraw/zinc/26/96/00/1038269600.db2.gz FDGXHAKNKXGCDR-KRWDZBQOSA-N 1 3 367.559 2.550 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 ZINC001255952116 1038270171 /nfs/dbraw/zinc/27/01/71/1038270171.db2.gz CSTPMPBSGHEBMY-UONOGXRCSA-N 1 3 359.440 2.784 20 0 FFADHO Fc1cccc(O[C@H]2C[C@H]3CN(C4CC[NH+](C5CC5)CC4)CCN3C2)c1 ZINC001256077936 1038364196 /nfs/dbraw/zinc/36/41/96/1038364196.db2.gz IMAPRQBLXDGYER-FPOVZHCZSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C1 ZINC001208608187 1038443817 /nfs/dbraw/zinc/44/38/17/1038443817.db2.gz RIIATOBDEJUYBP-QKLQHJQFSA-N 1 3 369.525 2.999 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C1 ZINC001208608187 1038443820 /nfs/dbraw/zinc/44/38/20/1038443820.db2.gz RIIATOBDEJUYBP-QKLQHJQFSA-N 1 3 369.525 2.999 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CCN(C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208614601 1038449438 /nfs/dbraw/zinc/44/94/38/1038449438.db2.gz MFUXSIOKIZQOFQ-PXNSSMCTSA-N 1 3 359.514 2.621 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CCN(C[C@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC001208614601 1038449444 /nfs/dbraw/zinc/44/94/44/1038449444.db2.gz MFUXSIOKIZQOFQ-PXNSSMCTSA-N 1 3 359.514 2.621 20 0 FFADHO COc1cccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1Cl ZINC001237198854 1038474195 /nfs/dbraw/zinc/47/41/95/1038474195.db2.gz YJDVEORUEFYECL-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO COC(=O)[C@H]1CCCN(C2CC[NH+](C[C@H](C)OCc3ccccc3)CC2)C1 ZINC001208704826 1038492936 /nfs/dbraw/zinc/49/29/36/1038492936.db2.gz PQYWYJVKDYFLNP-ICSRJNTNSA-N 1 3 374.525 2.941 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(C3COC3)CC2)CCN1Cc1ccccc1 ZINC001256536211 1038550610 /nfs/dbraw/zinc/55/06/10/1038550610.db2.gz JLHDQFFZBIFKFO-NQIIRXRSSA-N 1 3 357.542 2.740 20 0 FFADHO Fc1cnc(N(C2CC[NH2+]CC2)C2CCN(Cc3ccccc3)CC2)nc1 ZINC001256611939 1038580491 /nfs/dbraw/zinc/58/04/91/1038580491.db2.gz BQXXFFIVGUCJPU-UHFFFAOYSA-N 1 3 369.488 2.839 20 0 FFADHO CN(CCCC[NH2+]C1CCC(N2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001256679268 1038599049 /nfs/dbraw/zinc/59/90/49/1038599049.db2.gz HZESEHCUFOGTLQ-UHFFFAOYSA-N 1 3 369.550 2.867 20 0 FFADHO Brc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)n1 ZINC001256680161 1038599613 /nfs/dbraw/zinc/59/96/13/1038599613.db2.gz ZEGGADHMMMLLJY-UHFFFAOYSA-N 1 3 354.292 2.577 20 0 FFADHO COc1ccccc1CN1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256681194 1038600719 /nfs/dbraw/zinc/60/07/19/1038600719.db2.gz NVKAQOFIQIHFBF-KBWCOIMZSA-N 1 3 373.541 2.503 20 0 FFADHO FC(F)(F)c1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)nc1 ZINC001256683479 1038601504 /nfs/dbraw/zinc/60/15/04/1038601504.db2.gz CZJVNMMWFGQHQC-UHFFFAOYSA-N 1 3 357.420 2.876 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CCO2 ZINC001256688210 1038603474 /nfs/dbraw/zinc/60/34/74/1038603474.db2.gz STWFXNGEKJPQBN-FAFZWHIHSA-N 1 3 374.481 2.530 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C2CCC(CC(=O)OC)CC2)CC1 ZINC001256987785 1038671733 /nfs/dbraw/zinc/67/17/33/1038671733.db2.gz VZZFCDOWUJSBNQ-TVPLGVNVSA-N 1 3 352.519 2.684 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C2CCC(CC(=O)OC)CC2)CC1 ZINC001256987785 1038671736 /nfs/dbraw/zinc/67/17/36/1038671736.db2.gz VZZFCDOWUJSBNQ-TVPLGVNVSA-N 1 3 352.519 2.684 20 0 FFADHO C[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001209150559 1038687726 /nfs/dbraw/zinc/68/77/26/1038687726.db2.gz RVOMPYMRNLPYNU-GDBMZVCRSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@@H](O)COCc2c(Cl)cccc2Cl)C1 ZINC001245991699 1039178075 /nfs/dbraw/zinc/17/80/75/1039178075.db2.gz LCQLWUIEOCJVDF-BFHYXJOUSA-N 1 3 361.313 2.706 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCOc1cccc(Cl)c1 ZINC001245989871 1039178744 /nfs/dbraw/zinc/17/87/44/1039178744.db2.gz YVYLHQYZHXXUTQ-ZWKOTPCHSA-N 1 3 370.827 2.518 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@@H](O)COCc2c(Cl)cccc2Cl)C1 ZINC001245992112 1039178895 /nfs/dbraw/zinc/17/88/95/1039178895.db2.gz LCQLWUIEOCJVDF-MELADBBJSA-N 1 3 361.313 2.706 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001245992201 1039178917 /nfs/dbraw/zinc/17/89/17/1039178917.db2.gz FXRWHAIRJZWPAR-FCGDIQPGSA-N 1 3 366.839 2.995 20 0 FFADHO CCC1([NH2+]C[C@@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)CCNCC1 ZINC001246007063 1039188541 /nfs/dbraw/zinc/18/85/41/1039188541.db2.gz MYBUUKSCWDXEGX-GOSISDBHSA-N 1 3 362.514 2.624 20 0 FFADHO CCC1(NC[C@@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)CC[NH2+]CC1 ZINC001246007063 1039188551 /nfs/dbraw/zinc/18/85/51/1039188551.db2.gz MYBUUKSCWDXEGX-GOSISDBHSA-N 1 3 362.514 2.624 20 0 FFADHO C[C@@H]1[C@H](C[NH3+])CCCN1C[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001246023126 1039196738 /nfs/dbraw/zinc/19/67/38/1039196738.db2.gz OEWOLSRLQWLVLL-HZSPNIEDSA-N 1 3 361.313 2.930 20 0 FFADHO CCOC(=O)CCC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001258122803 1039198130 /nfs/dbraw/zinc/19/81/30/1039198130.db2.gz YACVCLNTFGMAFQ-FBBABVLZSA-N 1 3 366.546 2.789 20 0 FFADHO CCOC(=O)CCC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001258122803 1039198138 /nfs/dbraw/zinc/19/81/38/1039198138.db2.gz YACVCLNTFGMAFQ-FBBABVLZSA-N 1 3 366.546 2.789 20 0 FFADHO CCCC[C@H](CC)COC[C@@H](O)CN(CCCOC)C1CC[NH2+]CC1 ZINC001246048372 1039217541 /nfs/dbraw/zinc/21/75/41/1039217541.db2.gz ZTVDVYZVJWJBIM-ICSRJNTNSA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@H](CC)COC[C@@H](O)C[N@H+](CCCOC)C1CCNCC1 ZINC001246048372 1039217552 /nfs/dbraw/zinc/21/75/52/1039217552.db2.gz ZTVDVYZVJWJBIM-ICSRJNTNSA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](CCCOC)C1CCNCC1 ZINC001246048372 1039217560 /nfs/dbraw/zinc/21/75/60/1039217560.db2.gz ZTVDVYZVJWJBIM-ICSRJNTNSA-N 1 3 358.567 2.671 20 0 FFADHO O[C@@]1(C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CCCNC1 ZINC001246047258 1039218016 /nfs/dbraw/zinc/21/80/16/1039218016.db2.gz CMZGNSXMMZJQPI-KRWDZBQOSA-N 1 3 358.404 2.879 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cccnc1C(F)(F)F)CC2 ZINC001278433181 1039255752 /nfs/dbraw/zinc/25/57/52/1039255752.db2.gz RGTKBCMOKSYUHT-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO COC(=O)C(CNC1CC[NH2+]CC1)(Cc1ccccc1)Cc1ccccc1 ZINC001246329507 1039315179 /nfs/dbraw/zinc/31/51/79/1039315179.db2.gz PRNHQWAGTJAIBT-UHFFFAOYSA-N 1 3 366.505 2.973 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CN1 ZINC001246387044 1039333227 /nfs/dbraw/zinc/33/32/27/1039333227.db2.gz ARCLESHJDHJTHY-RHSMWYFYSA-N 1 3 370.946 2.560 20 0 FFADHO C[C@H]1C[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CCN1 ZINC001246388613 1039333319 /nfs/dbraw/zinc/33/33/19/1039333319.db2.gz FRZYIJLLQMGFFD-WMLDXEAASA-N 1 3 370.946 2.560 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC001251929479 1039360540 /nfs/dbraw/zinc/36/05/40/1039360540.db2.gz HGZSZHXLTXIDSB-FHWLQOOXSA-N 1 3 350.478 2.904 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC001251929479 1039360554 /nfs/dbraw/zinc/36/05/54/1039360554.db2.gz HGZSZHXLTXIDSB-FHWLQOOXSA-N 1 3 350.478 2.904 20 0 FFADHO C[C@@H](CCN)[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246516344 1039381959 /nfs/dbraw/zinc/38/19/59/1039381959.db2.gz VOULJLFWBRGZHS-ZJIFWQFVSA-N 1 3 370.534 2.782 20 0 FFADHO C[C@H]1C[N@@H+](C2CCN(c3ccc(Br)cc3)CC2)C[C@H]1CN ZINC001246544305 1039389504 /nfs/dbraw/zinc/38/95/04/1039389504.db2.gz XKAONSGHNWPCAI-UONOGXRCSA-N 1 3 352.320 2.945 20 0 FFADHO C[C@H]1C[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C[C@H]1CN ZINC001246544305 1039389524 /nfs/dbraw/zinc/38/95/24/1039389524.db2.gz XKAONSGHNWPCAI-UONOGXRCSA-N 1 3 352.320 2.945 20 0 FFADHO CC(C)C[C@@H](C)C[C@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246668214 1039431753 /nfs/dbraw/zinc/43/17/53/1039431753.db2.gz MMFKGSRNJOJHPI-MSOLQXFVSA-N 1 3 350.551 2.921 20 0 FFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cccc(Cl)n3)C2)C1 ZINC001278646437 1039444600 /nfs/dbraw/zinc/44/46/00/1039444600.db2.gz ZOTBVYQPQJVWJY-LJQANCHMSA-N 1 3 350.938 2.975 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CCN[C@@H](C)C3)CC2)c2ccccc21 ZINC001246765958 1039471255 /nfs/dbraw/zinc/47/12/55/1039471255.db2.gz OGNAJWUZKOLWJE-KSZLIROESA-N 1 3 355.526 2.784 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)c2ccccc21 ZINC001246765958 1039471267 /nfs/dbraw/zinc/47/12/67/1039471267.db2.gz OGNAJWUZKOLWJE-KSZLIROESA-N 1 3 355.526 2.784 20 0 FFADHO CNC(=O)C[C@H]1CC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c2ccccc21 ZINC001246765955 1039471742 /nfs/dbraw/zinc/47/17/42/1039471742.db2.gz OGNAJWUZKOLWJE-FGTMMUONSA-N 1 3 355.526 2.784 20 0 FFADHO CNC(=O)C[C@H]1CC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c2ccccc21 ZINC001246765955 1039471754 /nfs/dbraw/zinc/47/17/54/1039471754.db2.gz OGNAJWUZKOLWJE-FGTMMUONSA-N 1 3 355.526 2.784 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)CC[NH2+]1 ZINC001246767784 1039473570 /nfs/dbraw/zinc/47/35/70/1039473570.db2.gz NJGMGLMLMJHTJZ-AYWYSENESA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)CCN1 ZINC001246767784 1039473580 /nfs/dbraw/zinc/47/35/80/1039473580.db2.gz NJGMGLMLMJHTJZ-AYWYSENESA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)CCN1 ZINC001246767784 1039473586 /nfs/dbraw/zinc/47/35/86/1039473586.db2.gz NJGMGLMLMJHTJZ-AYWYSENESA-N 1 3 359.514 2.610 20 0 FFADHO Clc1ccc2c(c1)nccc2N1CCN([C@H]2CSC3(C[NH2+]C3)C2)CC1 ZINC001246775544 1039476143 /nfs/dbraw/zinc/47/61/43/1039476143.db2.gz JXQNROSIUOBBNU-OAHLLOKOSA-N 1 3 374.941 2.858 20 0 FFADHO Brc1cccc([C@H]2CN(C3CCC4(C[NH2+]C4)CC3)CCN2)c1 ZINC001246808296 1039488231 /nfs/dbraw/zinc/48/82/31/1039488231.db2.gz WDQQINNYONDXEL-QGZVFWFLSA-N 1 3 364.331 2.928 20 0 FFADHO CCC[NH+]1CCC(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001258773349 1039506381 /nfs/dbraw/zinc/50/63/81/1039506381.db2.gz HBEDHWJFJPCMSS-CTNGQTDRSA-N 1 3 361.505 2.837 20 0 FFADHO CCC[NH+]1CCC(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001258773354 1039507334 /nfs/dbraw/zinc/50/73/34/1039507334.db2.gz HBEDHWJFJPCMSS-PZJWPPBQSA-N 1 3 361.505 2.837 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)CC1 ZINC001258773039 1039508131 /nfs/dbraw/zinc/50/81/31/1039508131.db2.gz BPQINUXPRZFAFX-HXUWFJFHSA-N 1 3 355.526 2.857 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001258908327 1039577674 /nfs/dbraw/zinc/57/76/74/1039577674.db2.gz UXNWBOIVKSHMIM-SFHVURJKSA-N 1 3 370.582 2.639 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001253192301 1040034378 /nfs/dbraw/zinc/03/43/78/1040034378.db2.gz NYKLWTZFBOXWEB-JOCHJYFZSA-N 1 3 370.541 2.969 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC001253215634 1040050089 /nfs/dbraw/zinc/05/00/89/1040050089.db2.gz ZPGAJKADKJMZTM-SJORKVTESA-N 1 3 355.320 2.599 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCc2ccc(Br)cc2C1 ZINC001253214305 1040050981 /nfs/dbraw/zinc/05/09/81/1040050981.db2.gz ZIIKYRLEWUZNAM-SJORKVTESA-N 1 3 355.320 2.599 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001253405615 1040157010 /nfs/dbraw/zinc/15/70/10/1040157010.db2.gz JCCLFBGJMQBTEF-BEFAXECRSA-N 1 3 357.539 2.505 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001253405615 1040157016 /nfs/dbraw/zinc/15/70/16/1040157016.db2.gz JCCLFBGJMQBTEF-BEFAXECRSA-N 1 3 357.539 2.505 20 0 FFADHO C[NH+](C)CC(C)(C)CNC[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253435254 1040182449 /nfs/dbraw/zinc/18/24/49/1040182449.db2.gz YECKHGHKUKZISN-GOSISDBHSA-N 1 3 364.530 2.679 20 0 FFADHO CC(C)(C)OC[C@H](O)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001253452961 1040189303 /nfs/dbraw/zinc/18/93/03/1040189303.db2.gz RMXYJJWMROJYKK-GOSISDBHSA-N 1 3 350.503 2.744 20 0 FFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC2CCN(Cc3ccccn3)CC2)cc1 ZINC001253846706 1040409641 /nfs/dbraw/zinc/40/96/41/1040409641.db2.gz DMIXRCANZXEOCI-NRFANRHFSA-N 1 3 369.509 2.632 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccccc2OC(C)C)CC1 ZINC001254027156 1040528368 /nfs/dbraw/zinc/52/83/68/1040528368.db2.gz HJOZXLNNEPZKPD-LJQANCHMSA-N 1 3 364.530 2.924 20 0 FFADHO OC1(C[NH+]2CCC3(C[C@H](F)CO3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254040693 1040541030 /nfs/dbraw/zinc/54/10/30/1040541030.db2.gz VXUSWVNCMIJSFU-IBGZPJMESA-N 1 3 362.489 2.607 20 0 FFADHO O=C1NC2(CCN(Cc3ccccc3)CC2)[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001278514550 1040661392 /nfs/dbraw/zinc/66/13/92/1040661392.db2.gz UGYQARDPIPWYID-WOJBJXKFSA-N 1 3 353.510 2.642 20 0 FFADHO O=C1NC2(CCN(Cc3ccccc3)CC2)[C@@H]2C[N@H+](C3CCCC3)C[C@@H]12 ZINC001278514550 1040661400 /nfs/dbraw/zinc/66/14/00/1040661400.db2.gz UGYQARDPIPWYID-WOJBJXKFSA-N 1 3 353.510 2.642 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCCC[N@@H+](C)C3)C2)cc1 ZINC001254473026 1040740164 /nfs/dbraw/zinc/74/01/64/1040740164.db2.gz AMLQVCHSMGEZBK-WOJBJXKFSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC001254473026 1040740177 /nfs/dbraw/zinc/74/01/77/1040740177.db2.gz AMLQVCHSMGEZBK-WOJBJXKFSA-N 1 3 358.530 2.600 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001254520465 1040770450 /nfs/dbraw/zinc/77/04/50/1040770450.db2.gz DQIUKSYKGLRDQP-LSTDLKDCSA-N 1 3 365.543 2.623 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001254520465 1040770469 /nfs/dbraw/zinc/77/04/69/1040770469.db2.gz DQIUKSYKGLRDQP-LSTDLKDCSA-N 1 3 365.543 2.623 20 0 FFADHO Cc1cc(C(F)(F)F)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)cn1 ZINC001249516246 1040836901 /nfs/dbraw/zinc/83/69/01/1040836901.db2.gz JZDDHPWRMZQOKR-UHFFFAOYSA-N 1 3 370.463 2.868 20 0 FFADHO CC(C)[NH+]1CCC(N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254683040 1040878208 /nfs/dbraw/zinc/87/82/08/1040878208.db2.gz SCUHHJODOAEBLX-INIZCTEOSA-N 1 3 369.575 2.944 20 0 FFADHO CCC[NH+]1CCC(N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254683660 1040878413 /nfs/dbraw/zinc/87/84/13/1040878413.db2.gz YWLOJXVKHZCLDX-MRXNPFEDSA-N 1 3 369.575 2.945 20 0 FFADHO COc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001278807220 1040917680 /nfs/dbraw/zinc/91/76/80/1040917680.db2.gz DCZNZBAUVRWWLP-IRXDYDNUSA-N 1 3 371.447 2.924 20 0 FFADHO COc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001278807220 1040917696 /nfs/dbraw/zinc/91/76/96/1040917696.db2.gz DCZNZBAUVRWWLP-IRXDYDNUSA-N 1 3 371.447 2.924 20 0 FFADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@@H]2C1 ZINC001254913337 1041043202 /nfs/dbraw/zinc/04/32/02/1041043202.db2.gz OUQMFHRCHPLEEC-QZKQXFQVSA-N 1 3 363.546 2.906 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@@H]2C1 ZINC001254913337 1041043213 /nfs/dbraw/zinc/04/32/13/1041043213.db2.gz OUQMFHRCHPLEEC-QZKQXFQVSA-N 1 3 363.546 2.906 20 0 FFADHO COCCC1([NH3+])CCN([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001255232413 1041216162 /nfs/dbraw/zinc/21/61/62/1041216162.db2.gz VCWFDFUEFQTZBC-FVQHAEBGSA-N 1 3 367.534 2.747 20 0 FFADHO Cn1cc2c(n1)[C@H](C[NH2+][C@@H]1CCCN(Cc3ccccc3)CC1)OCC2 ZINC001255383975 1041312340 /nfs/dbraw/zinc/31/23/40/1041312340.db2.gz QSHSOFRSJGUSNV-UXHICEINSA-N 1 3 354.498 2.678 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001214754995 1041563725 /nfs/dbraw/zinc/56/37/25/1041563725.db2.gz NRYIKBPIIQHAII-AYOQOUSVSA-N 1 3 367.484 2.751 20 0 FFADHO CCOc1cc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)ccc1OC ZINC001279206678 1041684514 /nfs/dbraw/zinc/68/45/14/1041684514.db2.gz WXUHXOXLISYKFH-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001215189052 1041693773 /nfs/dbraw/zinc/69/37/73/1041693773.db2.gz NYEMFFVWFZNDPK-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO CCc1noc(C)c1CN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518464 1041811667 /nfs/dbraw/zinc/81/16/67/1041811667.db2.gz BLQDAYZDEJUMLF-NIKGAXFTSA-N 1 3 364.534 2.602 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCOC3CCCCCC3)C2)C1 ZINC001215540670 1041820279 /nfs/dbraw/zinc/82/02/79/1041820279.db2.gz PNCURCILDNQXMP-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001216002696 1041928849 /nfs/dbraw/zinc/92/88/49/1041928849.db2.gz ZIVRBGHYGSLYIF-CRAIPNDOSA-N 1 3 351.922 2.661 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1ccc(Cl)nc1 ZINC001216828940 1042138517 /nfs/dbraw/zinc/13/85/17/1042138517.db2.gz PRLDIULFGCRZOD-NVXWUHKLSA-N 1 3 364.921 2.548 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1ccnc(Cl)c1 ZINC001216830632 1042139681 /nfs/dbraw/zinc/13/96/81/1042139681.db2.gz WCEFDRNQTWQCKA-NVXWUHKLSA-N 1 3 364.921 2.548 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186115 1042156576 /nfs/dbraw/zinc/15/65/76/1042156576.db2.gz SPNDLGMSTFWWPU-MSOLQXFVSA-N 1 3 357.498 2.623 20 0 FFADHO CC(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001263404862 1042285534 /nfs/dbraw/zinc/28/55/34/1042285534.db2.gz VFIFTAYZBNFEGN-GOSISDBHSA-N 1 3 362.566 2.521 20 0 FFADHO CC(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001263404862 1042285539 /nfs/dbraw/zinc/28/55/39/1042285539.db2.gz VFIFTAYZBNFEGN-GOSISDBHSA-N 1 3 362.566 2.521 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)ccc3F)C2)C1 ZINC001263919490 1042531740 /nfs/dbraw/zinc/53/17/40/1042531740.db2.gz UVRLVGIYNKDNAA-RVKKMQEKSA-N 1 3 365.468 2.681 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCc2ccsc2)[C@@H]1C)N(C)C ZINC001264728090 1042808362 /nfs/dbraw/zinc/80/83/62/1042808362.db2.gz BONRGYWHDZKLJR-NJAFHUGGSA-N 1 3 351.560 2.846 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCc2ccsc2)[C@@H]1C)N(C)C ZINC001264728090 1042808365 /nfs/dbraw/zinc/80/83/65/1042808365.db2.gz BONRGYWHDZKLJR-NJAFHUGGSA-N 1 3 351.560 2.846 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(Br)c1O ZINC001279184486 1042937135 /nfs/dbraw/zinc/93/71/35/1042937135.db2.gz RUYYICVYONNQQI-OKILXGFUSA-N 1 3 369.303 2.937 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc(Br)c1O ZINC001279184486 1042937137 /nfs/dbraw/zinc/93/71/37/1042937137.db2.gz RUYYICVYONNQQI-OKILXGFUSA-N 1 3 369.303 2.937 20 0 FFADHO COc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(Br)c1[O-] ZINC001279184486 1042937141 /nfs/dbraw/zinc/93/71/41/1042937141.db2.gz RUYYICVYONNQQI-OKILXGFUSA-N 1 3 369.303 2.937 20 0 FFADHO COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(Br)c1[O-] ZINC001279184486 1042937144 /nfs/dbraw/zinc/93/71/44/1042937144.db2.gz RUYYICVYONNQQI-OKILXGFUSA-N 1 3 369.303 2.937 20 0 FFADHO COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(Br)c1[O-] ZINC001279184486 1042937147 /nfs/dbraw/zinc/93/71/47/1042937147.db2.gz RUYYICVYONNQQI-OKILXGFUSA-N 1 3 369.303 2.937 20 0 FFADHO COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc(Br)c1[O-] ZINC001279184486 1042937150 /nfs/dbraw/zinc/93/71/50/1042937150.db2.gz RUYYICVYONNQQI-OKILXGFUSA-N 1 3 369.303 2.937 20 0 FFADHO Cc1csc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(C)nn4C)CC[C@@H]3C2)n1 ZINC001279326534 1043001250 /nfs/dbraw/zinc/00/12/50/1043001250.db2.gz IVDYTCSALKOUQW-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1csc(C[N@H+]2C[C@@H]3CCN(Cc4cc(C)nn4C)CC[C@@H]3C2)n1 ZINC001279326534 1043001255 /nfs/dbraw/zinc/00/12/55/1043001255.db2.gz IVDYTCSALKOUQW-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)c(F)c3)(C1)CCC2 ZINC001279342960 1043014045 /nfs/dbraw/zinc/01/40/45/1043014045.db2.gz CBUKXZGHZCUJSS-MOPGFXCFSA-N 1 3 369.431 2.717 20 0 FFADHO CCOc1cc(O)cc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001279364853 1043029317 /nfs/dbraw/zinc/02/93/17/1043029317.db2.gz VORTTXQDFVKMEU-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO CCOc1cc(O)cc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001279364853 1043029321 /nfs/dbraw/zinc/02/93/21/1043029321.db2.gz VORTTXQDFVKMEU-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO COc1ncc(C[NH2+][C@@]23CC[C@@](NCc4scnc4C)(C2)CCC3)cn1 ZINC001279389575 1043046120 /nfs/dbraw/zinc/04/61/20/1043046120.db2.gz CLMRVVTWGPQOLZ-RBUKOAKNSA-N 1 3 373.526 2.975 20 0 FFADHO CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCCO2)cc1 ZINC001279468324 1043150005 /nfs/dbraw/zinc/15/00/05/1043150005.db2.gz VCCZYFXAZWKMKC-VTHDOGFWSA-N 1 3 357.498 2.909 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2c[nH]c3cccc(Cl)c23)CCC12C[NH2+]C2 ZINC001237430243 1043156906 /nfs/dbraw/zinc/15/69/06/1043156906.db2.gz KZVNIUSKCKDZOR-AWEZNQCLSA-N 1 3 361.873 2.796 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)CCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001279502188 1043196968 /nfs/dbraw/zinc/19/69/68/1043196968.db2.gz ODCJJNSQNZZKAC-VQTJNVASSA-N 1 3 357.542 2.775 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)CCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001279502188 1043196978 /nfs/dbraw/zinc/19/69/78/1043196978.db2.gz ODCJJNSQNZZKAC-VQTJNVASSA-N 1 3 357.542 2.775 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CC1CCC(F)(F)CC1)CC2 ZINC001279595103 1043312092 /nfs/dbraw/zinc/31/20/92/1043312092.db2.gz LXPPWLRAONZVIW-UHFFFAOYSA-N 1 3 357.489 2.688 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1OC(F)F ZINC001279595479 1043312850 /nfs/dbraw/zinc/31/28/50/1043312850.db2.gz NAOCWKFYVBDIJY-HOTGVXAUSA-N 1 3 369.456 2.507 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1OC(F)F ZINC001279595479 1043312858 /nfs/dbraw/zinc/31/28/58/1043312858.db2.gz NAOCWKFYVBDIJY-HOTGVXAUSA-N 1 3 369.456 2.507 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cccc3occc31)CC2 ZINC001279658706 1043416798 /nfs/dbraw/zinc/41/67/98/1043416798.db2.gz SECWWPXDJWGCNE-UHFFFAOYSA-N 1 3 355.482 2.809 20 0 FFADHO CCOc1ncc(Cl)cc1CN1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001279708836 1043507599 /nfs/dbraw/zinc/50/75/99/1043507599.db2.gz UBDDBOQHOORTKX-UHFFFAOYSA-N 1 3 366.937 2.593 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316598102 1043522209 /nfs/dbraw/zinc/52/22/09/1043522209.db2.gz LMNUCGRHPWVZNL-GUDVDZBRSA-N 1 3 362.518 2.620 20 0 FFADHO CC(C)(C)CCN1CCC([NH+]2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001279878673 1043828268 /nfs/dbraw/zinc/82/82/68/1043828268.db2.gz CFTHLFZIJFXWOR-UHFFFAOYSA-N 1 3 359.505 2.980 20 0 FFADHO COCCCC[NH+]1CCC2(CN(Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001278278612 1043888772 /nfs/dbraw/zinc/88/87/72/1043888772.db2.gz ZVZJLIJUTYQHLO-UHFFFAOYSA-N 1 3 359.514 2.969 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(Cc1cc(C)ccc1C)C2 ZINC001279993611 1044055430 /nfs/dbraw/zinc/05/54/30/1044055430.db2.gz HJXUJUSHTHTNQM-FQEVSTJZSA-N 1 3 357.542 2.926 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(Cc1cc(C)ccc1C)C2 ZINC001279993612 1044056272 /nfs/dbraw/zinc/05/62/72/1044056272.db2.gz HJXUJUSHTHTNQM-HXUWFJFHSA-N 1 3 357.542 2.926 20 0 FFADHO CN(C)CCN(C(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC001239308292 1044097872 /nfs/dbraw/zinc/09/78/72/1044097872.db2.gz WZECPHDIXCMFQJ-OAHLLOKOSA-N 1 3 369.307 2.597 20 0 FFADHO FC(F)(F)c1ccccc1NC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239362139 1044103771 /nfs/dbraw/zinc/10/37/71/1044103771.db2.gz FUZLRCSZBXNEGC-LBPRGKRZSA-N 1 3 372.460 2.866 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312793707 1044171211 /nfs/dbraw/zinc/17/12/11/1044171211.db2.gz SIBLUDHRSJPNTB-UYAOXDASSA-N 1 3 360.546 2.989 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312793707 1044171215 /nfs/dbraw/zinc/17/12/15/1044171215.db2.gz SIBLUDHRSJPNTB-UYAOXDASSA-N 1 3 360.546 2.989 20 0 FFADHO COc1ccc(C)cc1NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCN(C)C ZINC001280223026 1044417860 /nfs/dbraw/zinc/41/78/60/1044417860.db2.gz BYNBEBQYVWHLKN-ROUUACIJSA-N 1 3 360.502 2.636 20 0 FFADHO COc1ccc(C)cc1NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCN(C)C ZINC001280223026 1044417861 /nfs/dbraw/zinc/41/78/61/1044417861.db2.gz BYNBEBQYVWHLKN-ROUUACIJSA-N 1 3 360.502 2.636 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001313858940 1044432744 /nfs/dbraw/zinc/43/27/44/1044432744.db2.gz CSSRNOJPPFBGHH-IRXDYDNUSA-N 1 3 350.555 2.624 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001313858939 1044432876 /nfs/dbraw/zinc/43/28/76/1044432876.db2.gz CSSRNOJPPFBGHH-IAGOWNOFSA-N 1 3 350.555 2.624 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@@H]2CCC[N@@H+]2CC)C[C@@H]1C ZINC001313870233 1044435219 /nfs/dbraw/zinc/43/52/19/1044435219.db2.gz ZDWAQZIJKQJLRF-LNLFQRSKSA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@@H]2CCC[N@H+]2CC)C[C@@H]1C ZINC001313870233 1044435225 /nfs/dbraw/zinc/43/52/25/1044435225.db2.gz ZDWAQZIJKQJLRF-LNLFQRSKSA-N 1 3 374.577 2.949 20 0 FFADHO CN1CCN(c2ccc(-c3ccc(N4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001240854509 1044452164 /nfs/dbraw/zinc/45/21/64/1044452164.db2.gz BKLBOEDVDQQQSS-UHFFFAOYSA-N 1 3 350.510 2.857 20 0 FFADHO c1ccc(CN2CC=C(c3cnc(O[C@H]4CCC[NH2+]C4)nc3)CC2)cc1 ZINC001241504301 1044529574 /nfs/dbraw/zinc/52/95/74/1044529574.db2.gz RDJIWEYIBKYJGO-FQEVSTJZSA-N 1 3 350.466 2.897 20 0 FFADHO CC(C)COCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001316789411 1044979383 /nfs/dbraw/zinc/97/93/83/1044979383.db2.gz ZFRQRHMODMSMMW-MJGOQNOKSA-N 1 3 367.578 2.891 20 0 FFADHO CC(C)COCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001316789411 1044979390 /nfs/dbraw/zinc/97/93/90/1044979390.db2.gz ZFRQRHMODMSMMW-MJGOQNOKSA-N 1 3 367.578 2.891 20 0 FFADHO CCN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001317486793 1045102516 /nfs/dbraw/zinc/10/25/16/1045102516.db2.gz BOIOYLLLRRYLLQ-YADHBBJMSA-N 1 3 365.521 2.970 20 0 FFADHO CCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001317486793 1045102529 /nfs/dbraw/zinc/10/25/29/1045102529.db2.gz BOIOYLLLRRYLLQ-YADHBBJMSA-N 1 3 365.521 2.970 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccco1)C1CCN(C)CC1 ZINC001317759415 1045132599 /nfs/dbraw/zinc/13/25/99/1045132599.db2.gz RDZWBMLMYGNXDB-QGZVFWFLSA-N 1 3 364.559 2.535 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccco1)C1CCN(C)CC1 ZINC001317759415 1045132605 /nfs/dbraw/zinc/13/26/05/1045132605.db2.gz RDZWBMLMYGNXDB-QGZVFWFLSA-N 1 3 364.559 2.535 20 0 FFADHO Cc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cnn1-c1ccncc1 ZINC001324541039 1046092482 /nfs/dbraw/zinc/09/24/82/1046092482.db2.gz PUPIKNYZPICFAV-KRWDZBQOSA-N 1 3 355.467 2.670 20 0 FFADHO CC(C)(CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC001323118360 1046350552 /nfs/dbraw/zinc/35/05/52/1046350552.db2.gz GYHYSJJBODGVCZ-HXUWFJFHSA-N 1 3 370.541 2.703 20 0 FFADHO CC(C)(CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC001323118360 1046350566 /nfs/dbraw/zinc/35/05/66/1046350566.db2.gz GYHYSJJBODGVCZ-HXUWFJFHSA-N 1 3 370.541 2.703 20 0 FFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327089833 1047184267 /nfs/dbraw/zinc/18/42/67/1047184267.db2.gz OTCVEFIKXKVEEY-RMJOCGACSA-N 1 3 359.558 2.926 20 0 FFADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)CC1 ZINC001332721961 1048527661 /nfs/dbraw/zinc/52/76/61/1048527661.db2.gz ACHZNQARZODGKK-NRFANRHFSA-N 1 3 373.541 2.577 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC001291139462 1048618298 /nfs/dbraw/zinc/61/82/98/1048618298.db2.gz CVEVMMRZCNSAQZ-KRWDZBQOSA-N 1 3 374.577 2.592 20 0 FFADHO C[C@H]1CCC[N@H+]1CCn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC001291139462 1048618301 /nfs/dbraw/zinc/61/83/01/1048618301.db2.gz CVEVMMRZCNSAQZ-KRWDZBQOSA-N 1 3 374.577 2.592 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCCc4ncccc43)c2)CC1 ZINC001330355129 1049142968 /nfs/dbraw/zinc/14/29/68/1049142968.db2.gz YXIWQKJTOPLTMF-JOCHJYFZSA-N 1 3 350.510 2.996 20 0 FFADHO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001293071337 1049479901 /nfs/dbraw/zinc/47/99/01/1049479901.db2.gz JMIROEASZULUFA-UHFFFAOYSA-N 1 3 360.502 2.721 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001295994037 1050010899 /nfs/dbraw/zinc/01/08/99/1050010899.db2.gz GDOLCMKGKJKMAY-BBWFWOEESA-N 1 3 362.566 2.805 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001296392554 1050055925 /nfs/dbraw/zinc/05/59/25/1050055925.db2.gz HEVLHNNKULKANM-RTBURBONSA-N 1 3 361.530 2.706 20 0 FFADHO [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@H]1CCN(Cc4ccccc4)C1)(C3)C2 ZINC001341531503 1050161616 /nfs/dbraw/zinc/16/16/16/1050161616.db2.gz BNPFFFKKAWSONS-ITPHGFLGSA-N 1 3 353.510 2.675 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc4c(s3)CNCC4)C2)CC1 ZINC001341584354 1050210960 /nfs/dbraw/zinc/21/09/60/1050210960.db2.gz FYQACAJRFOJVCQ-MRXNPFEDSA-N 1 3 361.555 2.978 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1CC([NH3+])C1 ZINC001340162830 1050567359 /nfs/dbraw/zinc/56/73/59/1050567359.db2.gz FVHWIKLEGGRJDE-UHFFFAOYSA-N 1 3 357.420 2.723 20 0 FFADHO [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1)C1CCCC1 ZINC001340955187 1051286617 /nfs/dbraw/zinc/28/66/17/1051286617.db2.gz YJFMZHYAXMAFET-JXFKEZNVSA-N 1 3 371.525 2.928 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341071558 1051414212 /nfs/dbraw/zinc/41/42/12/1051414212.db2.gz BPBHCWWLDSYYGW-ZIAGYGMSSA-N 1 3 369.387 2.846 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001341464882 1051819788 /nfs/dbraw/zinc/81/97/88/1051819788.db2.gz IBWGURBVPSFAIN-LQWHRVPQSA-N 1 3 357.498 2.656 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)COc1ccc(CCC[NH3+])cc1 ZINC001343390951 1052201596 /nfs/dbraw/zinc/20/15/96/1052201596.db2.gz AQYSMZQVQBBHDZ-UHFFFAOYSA-N 1 3 371.481 2.666 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2cc3n(n2)CCC[C@H]3[NH3+])N2CCCC2)cc1 ZINC001343407787 1052212379 /nfs/dbraw/zinc/21/23/79/1052212379.db2.gz LYUCTBUFQFXDQF-XLIONFOSSA-N 1 3 367.497 2.552 20 0 FFADHO CCC[N@@H+]1CC[C@@H](Cn2c(C(C)C)nnc2N2CCN(CC3CC3)CC2)C1 ZINC001307037454 1052243284 /nfs/dbraw/zinc/24/32/84/1052243284.db2.gz VCPKMHOZUVBWMV-LJQANCHMSA-N 1 3 374.577 2.665 20 0 FFADHO CCC[N@H+]1CC[C@@H](Cn2c(C(C)C)nnc2N2CCN(CC3CC3)CC2)C1 ZINC001307037454 1052243291 /nfs/dbraw/zinc/24/32/91/1052243291.db2.gz VCPKMHOZUVBWMV-LJQANCHMSA-N 1 3 374.577 2.665 20 0 FFADHO C[C@@H](CN1CCOCC1)[N@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001307731397 1052341731 /nfs/dbraw/zinc/34/17/31/1052341731.db2.gz HIGSGSZEJFZZLY-NRFANRHFSA-N 1 3 373.585 2.984 20 0 FFADHO C[C@@H](CN1CCOCC1)[N@@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001307731397 1052341738 /nfs/dbraw/zinc/34/17/38/1052341738.db2.gz HIGSGSZEJFZZLY-NRFANRHFSA-N 1 3 373.585 2.984 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC001308927108 1052520085 /nfs/dbraw/zinc/52/00/85/1052520085.db2.gz GMFYUHSBAAXGRF-UHFFFAOYSA-N 1 3 360.367 2.781 20 0 FFADHO CCN1CCN(CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001335316685 1053294537 /nfs/dbraw/zinc/29/45/37/1053294537.db2.gz FBZPPFFUJCFRHW-QGZVFWFLSA-N 1 3 360.329 2.644 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001335359350 1053314314 /nfs/dbraw/zinc/31/43/14/1053314314.db2.gz BBJOAUSCJHIEMX-QFBILLFUSA-N 1 3 362.543 2.813 20 0 FFADHO O=C(OC[C@@H]1CCN1C1CCOCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC001347391844 1053928472 /nfs/dbraw/zinc/92/84/72/1053928472.db2.gz MLHATKDAAJIQMB-FQEVSTJZSA-N 1 3 358.482 2.693 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(F)(F)CC[C@@H]3C)CC2)CC1 ZINC001347558432 1054103522 /nfs/dbraw/zinc/10/35/22/1054103522.db2.gz OCMWXFDAICSLSZ-HNNXBMFYSA-N 1 3 357.489 2.829 20 0 FFADHO Cc1nnc(N2CCN(CC(C)C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001543325545 1071447501 /nfs/dbraw/zinc/44/75/01/1071447501.db2.gz SBGIALDEAWSUKS-UHFFFAOYSA-N 1 3 362.566 2.631 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)N2CCCC2)cc1 ZINC001336786001 1054224685 /nfs/dbraw/zinc/22/46/85/1054224685.db2.gz XKDFYBRXHNBKFA-TZIWHRDSSA-N 1 3 356.514 2.669 20 0 FFADHO CN1CCCC[C@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001336811801 1054249254 /nfs/dbraw/zinc/24/92/54/1054249254.db2.gz QXZYSXYQEKVVBC-ZRZPHAQCSA-N 1 3 354.535 2.571 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001337177238 1054534259 /nfs/dbraw/zinc/53/42/59/1054534259.db2.gz NZNODXJDGQHBJV-FQEVSTJZSA-N 1 3 359.514 2.702 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001337177238 1054534273 /nfs/dbraw/zinc/53/42/73/1054534273.db2.gz NZNODXJDGQHBJV-FQEVSTJZSA-N 1 3 359.514 2.702 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001356560590 1055581866 /nfs/dbraw/zinc/58/18/66/1055581866.db2.gz VLPKFTBCEVRVCD-CTNGQTDRSA-N 1 3 356.514 2.751 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(N2CCCCC2)cc1 ZINC000849070836 1055628740 /nfs/dbraw/zinc/62/87/40/1055628740.db2.gz HJJKABAUFCXIRP-FQEVSTJZSA-N 1 3 357.546 2.818 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001350842718 1055964648 /nfs/dbraw/zinc/96/46/48/1055964648.db2.gz PWBISAYTYVCSBC-GBESFXJTSA-N 1 3 374.577 2.715 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001350842718 1055964654 /nfs/dbraw/zinc/96/46/54/1055964654.db2.gz PWBISAYTYVCSBC-GBESFXJTSA-N 1 3 374.577 2.715 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4c(F)cccc4C3)CC2)CC1 ZINC000847614882 1056175635 /nfs/dbraw/zinc/17/56/35/1056175635.db2.gz VAGORIUHUWQADL-UHFFFAOYSA-N 1 3 373.516 2.907 20 0 FFADHO Cc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)nc1C ZINC000849116159 1056769787 /nfs/dbraw/zinc/76/97/87/1056769787.db2.gz JZBBOSLXAHOCGW-UHFFFAOYSA-N 1 3 351.498 2.977 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001513049424 1058175978 /nfs/dbraw/zinc/17/59/78/1058175978.db2.gz SJTSTWLMYPHADA-MJGOQNOKSA-N 1 3 374.577 2.665 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001513049424 1058175982 /nfs/dbraw/zinc/17/59/82/1058175982.db2.gz SJTSTWLMYPHADA-MJGOQNOKSA-N 1 3 374.577 2.665 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001513921165 1058669667 /nfs/dbraw/zinc/66/96/67/1058669667.db2.gz BZAJCIPHXAEPBQ-KRWDZBQOSA-N 1 3 362.566 2.635 20 0 FFADHO CC[N@@H+]1CCC[C@H]1Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC001502290395 1058811240 /nfs/dbraw/zinc/81/12/40/1058811240.db2.gz HGXMMOHTSYTHCQ-SFHVURJKSA-N 1 3 374.577 2.592 20 0 FFADHO CC[N@H+]1CCC[C@H]1Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC001502290395 1058811266 /nfs/dbraw/zinc/81/12/66/1058811266.db2.gz HGXMMOHTSYTHCQ-SFHVURJKSA-N 1 3 374.577 2.592 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001545657264 1071828125 /nfs/dbraw/zinc/82/81/25/1071828125.db2.gz JNBMFGYAFZHCEU-GOSISDBHSA-N 1 3 364.582 2.910 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001545657264 1071828132 /nfs/dbraw/zinc/82/81/32/1071828132.db2.gz JNBMFGYAFZHCEU-GOSISDBHSA-N 1 3 364.582 2.910 20 0 FFADHO Cc1cnc(CN[C@H](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)s1 ZINC001506179786 1059450137 /nfs/dbraw/zinc/45/01/37/1059450137.db2.gz WORMEZGDTZYMBA-BRWVUGGUSA-N 1 3 366.575 2.754 20 0 FFADHO Cc1cnc(CN[C@H](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)s1 ZINC001506179786 1059450148 /nfs/dbraw/zinc/45/01/48/1059450148.db2.gz WORMEZGDTZYMBA-BRWVUGGUSA-N 1 3 366.575 2.754 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001520945127 1060230519 /nfs/dbraw/zinc/23/05/19/1060230519.db2.gz NWNJCNMXYFGPOX-GOSISDBHSA-N 1 3 362.566 2.664 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001520945127 1060230539 /nfs/dbraw/zinc/23/05/39/1060230539.db2.gz NWNJCNMXYFGPOX-GOSISDBHSA-N 1 3 362.566 2.664 20 0 FFADHO C[N@@H+]1C[C@@]23CN(C[C@@H](O)CCOCc4ccccc4)C[C@]2(C1)CCCC3 ZINC001460976507 1061172613 /nfs/dbraw/zinc/17/26/13/1061172613.db2.gz PABCYJZBOSYEMJ-FDFHNCONSA-N 1 3 358.526 2.762 20 0 FFADHO C[N@H+]1C[C@@]23CN(C[C@@H](O)CCOCc4ccccc4)C[C@]2(C1)CCCC3 ZINC001460976507 1061172621 /nfs/dbraw/zinc/17/26/21/1061172621.db2.gz PABCYJZBOSYEMJ-FDFHNCONSA-N 1 3 358.526 2.762 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001478651501 1062076844 /nfs/dbraw/zinc/07/68/44/1062076844.db2.gz TWENPRGGTBCHEV-WFASDCNBSA-N 1 3 360.424 2.557 20 0 FFADHO CON(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001478956768 1062162013 /nfs/dbraw/zinc/16/20/13/1062162013.db2.gz GUHQYTBJNMFSGF-HNNXBMFYSA-N 1 3 370.925 2.685 20 0 FFADHO CON(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001478956768 1062162028 /nfs/dbraw/zinc/16/20/28/1062162028.db2.gz GUHQYTBJNMFSGF-HNNXBMFYSA-N 1 3 370.925 2.685 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001492895786 1062257623 /nfs/dbraw/zinc/25/76/23/1062257623.db2.gz APRBHOSUSAULNM-LJQANCHMSA-N 1 3 370.545 2.810 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)C2)cc1 ZINC001479156868 1062258245 /nfs/dbraw/zinc/25/82/45/1062258245.db2.gz JRVKEVNDVLFTAH-LJQANCHMSA-N 1 3 360.546 2.799 20 0 FFADHO CC[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1)OC ZINC001479451768 1062417287 /nfs/dbraw/zinc/41/72/87/1062417287.db2.gz DUGNUQRXKJKTHF-RCCFBDPRSA-N 1 3 353.551 2.550 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001498289436 1063802788 /nfs/dbraw/zinc/80/27/88/1063802788.db2.gz RMMVPGLGCCTEIP-ZAAXVRCTSA-N 1 3 356.514 2.835 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001498289436 1063802795 /nfs/dbraw/zinc/80/27/95/1063802795.db2.gz RMMVPGLGCCTEIP-ZAAXVRCTSA-N 1 3 356.514 2.835 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC001470782417 1064451229 /nfs/dbraw/zinc/45/12/29/1064451229.db2.gz CGIJJKMHFBGDJJ-ABHNRTSZSA-N 1 3 350.551 2.765 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC001470782417 1064451234 /nfs/dbraw/zinc/45/12/34/1064451234.db2.gz CGIJJKMHFBGDJJ-ABHNRTSZSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC001575124907 1078109666 /nfs/dbraw/zinc/10/96/66/1078109666.db2.gz HXMFWQXVBBIKIN-UHFFFAOYSA-N 1 3 352.548 2.617 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCN1C1CCCC1 ZINC001471826598 1064809361 /nfs/dbraw/zinc/80/93/61/1064809361.db2.gz PJUSBFTUYOFKRF-UYAOXDASSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCN1C1CCCC1 ZINC001471826598 1064809380 /nfs/dbraw/zinc/80/93/80/1064809380.db2.gz PJUSBFTUYOFKRF-UYAOXDASSA-N 1 3 370.541 2.769 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001575634229 1078159063 /nfs/dbraw/zinc/15/90/63/1078159063.db2.gz QPZWKAILCLQXBV-UAFMIMERSA-N 1 3 361.505 2.678 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001575634229 1078159065 /nfs/dbraw/zinc/15/90/65/1078159065.db2.gz QPZWKAILCLQXBV-UAFMIMERSA-N 1 3 361.505 2.678 20 0 FFADHO CC(C)N(C)c1ccc(NC(=O)CCN(C)C2CC[NH2+]CC2)cc1F ZINC001575689886 1078164463 /nfs/dbraw/zinc/16/44/63/1078164463.db2.gz XIWQISQGBCDZCJ-UHFFFAOYSA-N 1 3 350.482 2.683 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC001576309702 1078214449 /nfs/dbraw/zinc/21/44/49/1078214449.db2.gz CMUIJVOWNLPLCK-MJGOQNOKSA-N 1 3 356.514 2.750 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001474437264 1065522559 /nfs/dbraw/zinc/52/25/59/1065522559.db2.gz VYBAUBMWLNWUBW-HXUWFJFHSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001474437264 1065522571 /nfs/dbraw/zinc/52/25/71/1065522571.db2.gz VYBAUBMWLNWUBW-HXUWFJFHSA-N 1 3 353.466 2.501 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](C)[NH3+] ZINC001577026470 1078296066 /nfs/dbraw/zinc/29/60/66/1078296066.db2.gz DCUJENGXHZNPOM-JKSUJKDBSA-N 1 3 350.555 2.697 20 0 FFADHO CCC[C@@H](C)CN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1CCN1CC=CCC1 ZINC001577340847 1078339740 /nfs/dbraw/zinc/33/97/40/1078339740.db2.gz LDLYKLCMLBGNKF-RTBURBONSA-N 1 3 374.577 2.879 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCCC[NH3+])C[C@@H]1C ZINC001577760429 1078397407 /nfs/dbraw/zinc/39/74/07/1078397407.db2.gz UNOXGPBZSCCVNS-HOTGVXAUSA-N 1 3 350.555 2.525 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@]34CC[NH2+][C@H]3CCCC4)CC2)c1 ZINC001579277293 1078608280 /nfs/dbraw/zinc/60/82/80/1078608280.db2.gz CJLFDYDJNJOLFI-RBBKRZOGSA-N 1 3 371.525 2.698 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CNC[C@@H](c2ccccc2)C(F)(F)F)cnn1C ZINC001579530976 1078639795 /nfs/dbraw/zinc/63/97/95/1078639795.db2.gz ZWRAHRHBYPNIBT-YOEHRIQHSA-N 1 3 354.420 2.782 20 0 FFADHO [NH3+][C@@H](CN[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)CC(F)F ZINC001580131902 1078753808 /nfs/dbraw/zinc/75/38/08/1078753808.db2.gz IIJLVNFJHAUIAE-VXGBXAGGSA-N 1 3 356.367 2.715 20 0 FFADHO [NH3+]C1(CC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC001580143781 1078757255 /nfs/dbraw/zinc/75/72/55/1078757255.db2.gz GOUJTAPOAHCQTA-QGZVFWFLSA-N 1 3 353.470 2.540 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001580334931 1078787720 /nfs/dbraw/zinc/78/77/20/1078787720.db2.gz JTSUVBLIMNKVNG-NUTKFTJISA-N 1 3 359.297 2.794 20 0 FFADHO [NH3+][C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1c1ccccc1F ZINC001549032230 1073602445 /nfs/dbraw/zinc/60/24/45/1073602445.db2.gz DWHGDSXPCYUKPI-CTNGQTDRSA-N 1 3 367.468 2.988 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001549074721 1073631815 /nfs/dbraw/zinc/63/18/15/1073631815.db2.gz QYESGYFPTNJBOF-LEWJYISDSA-N 1 3 351.494 2.823 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001549074721 1073631819 /nfs/dbraw/zinc/63/18/19/1073631819.db2.gz QYESGYFPTNJBOF-LEWJYISDSA-N 1 3 351.494 2.823 20 0 FFADHO CCN1C(=O)C[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1c1ccncc1 ZINC001549193898 1073684098 /nfs/dbraw/zinc/68/40/98/1073684098.db2.gz ZNIOLCGFEADFKD-FXAWDEMLSA-N 1 3 358.530 2.844 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC001550421883 1074259329 /nfs/dbraw/zinc/25/93/29/1074259329.db2.gz HTJRHXIBDXOFAQ-IWFBPKFRSA-N 1 3 354.498 2.646 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC001550421883 1074259336 /nfs/dbraw/zinc/25/93/36/1074259336.db2.gz HTJRHXIBDXOFAQ-IWFBPKFRSA-N 1 3 354.498 2.646 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ncc(C)c(OC)c3C)C2)[C@@H]1C(C)C ZINC001550669028 1074427114 /nfs/dbraw/zinc/42/71/14/1074427114.db2.gz WQBKHZAAFAMLQR-GIUOSPMZSA-N 1 3 361.530 2.666 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ncc(C)c(OC)c3C)C2)[C@@H]1C(C)C ZINC001550669028 1074427118 /nfs/dbraw/zinc/42/71/18/1074427118.db2.gz WQBKHZAAFAMLQR-GIUOSPMZSA-N 1 3 361.530 2.666 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cnc(C3CCOCC3)o2)CC1 ZINC001551238636 1074658813 /nfs/dbraw/zinc/65/88/13/1074658813.db2.gz REFGAZYGOMFCKF-UHFFFAOYSA-N 1 3 363.502 2.692 20 0 FFADHO CN(C(=O)NC1CCC2(C[C@H]2[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001551548232 1074752566 /nfs/dbraw/zinc/75/25/66/1074752566.db2.gz HACZRXHZJPWDMT-XTBIFASLSA-N 1 3 356.514 2.562 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC001552359384 1075065728 /nfs/dbraw/zinc/06/57/28/1075065728.db2.gz BYBKHLLQNSFFCP-RTBURBONSA-N 1 3 357.523 2.771 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC001552359384 1075065729 /nfs/dbraw/zinc/06/57/29/1075065729.db2.gz BYBKHLLQNSFFCP-RTBURBONSA-N 1 3 357.523 2.771 20 0 FFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cccc3c2CNC3)cc1 ZINC001552440012 1075074990 /nfs/dbraw/zinc/07/49/90/1075074990.db2.gz IFUIECUIJYWIKR-GHTZIAJQSA-N 1 3 365.477 2.564 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NC2CCC(C)(N3CCOCC3)CC2)c1 ZINC001553313695 1075280905 /nfs/dbraw/zinc/28/09/05/1075280905.db2.gz ICGCFEKBHDGQSV-UHFFFAOYSA-N 1 3 360.502 2.609 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC001556927464 1075789678 /nfs/dbraw/zinc/78/96/78/1075789678.db2.gz DMAGKYXTMDDHFR-MJGOQNOKSA-N 1 3 361.505 2.980 20 0 FFADHO CC[N@H+]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC001556927464 1075789680 /nfs/dbraw/zinc/78/96/80/1075789680.db2.gz DMAGKYXTMDDHFR-MJGOQNOKSA-N 1 3 361.505 2.980 20 0 FFADHO O=C(CN1CCCC1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001557253326 1075827838 /nfs/dbraw/zinc/82/78/38/1075827838.db2.gz AKMBWSQOGLHWEJ-UHFFFAOYSA-N 1 3 355.526 2.987 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001564520339 1076640170 /nfs/dbraw/zinc/64/01/70/1076640170.db2.gz GKZFTPBCYVNIQV-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CCN1Cc1ccccc1 ZINC001564881573 1076667191 /nfs/dbraw/zinc/66/71/91/1076667191.db2.gz XLTUPXLJFSHQHP-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CCN1Cc1ccccc1 ZINC001564881573 1076667193 /nfs/dbraw/zinc/66/71/93/1076667193.db2.gz XLTUPXLJFSHQHP-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001565780941 1076765142 /nfs/dbraw/zinc/76/51/42/1076765142.db2.gz ZLYHZMLIWZEVOC-CXAGYDPISA-N 1 3 355.885 2.756 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCCN3Cc3ccccc3)C[N@@H+]2C1 ZINC001565792896 1076766908 /nfs/dbraw/zinc/76/69/08/1076766908.db2.gz PXRLEDKGMVEUGH-AYWYSENESA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCCN3Cc3ccccc3)C[N@H+]2C1 ZINC001565792896 1076766912 /nfs/dbraw/zinc/76/69/12/1076766912.db2.gz PXRLEDKGMVEUGH-AYWYSENESA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001565972779 1076820523 /nfs/dbraw/zinc/82/05/23/1076820523.db2.gz KPRUDHYHIWJNIO-INMHGKMJSA-N 1 3 368.472 2.994 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001566105506 1076909333 /nfs/dbraw/zinc/90/93/33/1076909333.db2.gz IEDJZCTYXMSEHQ-QRVBRYPASA-N 1 3 353.551 2.645 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001566105506 1076909337 /nfs/dbraw/zinc/90/93/37/1076909337.db2.gz IEDJZCTYXMSEHQ-QRVBRYPASA-N 1 3 353.551 2.645 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000359941575 223137743 /nfs/dbraw/zinc/13/77/43/223137743.db2.gz MGYKAAFREZHXML-HXUWFJFHSA-N 1 3 356.514 2.531 20 0 FFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000098173254 250072767 /nfs/dbraw/zinc/07/27/67/250072767.db2.gz LGWQFTMJKACHEM-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000098173254 250072771 /nfs/dbraw/zinc/07/27/71/250072771.db2.gz LGWQFTMJKACHEM-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000098173254 250072774 /nfs/dbraw/zinc/07/27/74/250072774.db2.gz LGWQFTMJKACHEM-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000106912283 250300737 /nfs/dbraw/zinc/30/07/37/250300737.db2.gz JTECPDXOPMFOQW-HXUWFJFHSA-N 1 3 361.530 2.610 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1N1CCN(C)CC1 ZINC000375016288 512121457 /nfs/dbraw/zinc/12/14/57/512121457.db2.gz DVYJLRHXMQEUGD-AEFFLSMTSA-N 1 3 373.570 2.606 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1N1CCN(C)CC1 ZINC000375016288 512121459 /nfs/dbraw/zinc/12/14/59/512121459.db2.gz DVYJLRHXMQEUGD-AEFFLSMTSA-N 1 3 373.570 2.606 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000153056297 251097348 /nfs/dbraw/zinc/09/73/48/251097348.db2.gz NXPOLMYZYQPEBQ-LGWLGOQQSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000153056297 251097352 /nfs/dbraw/zinc/09/73/52/251097352.db2.gz NXPOLMYZYQPEBQ-LGWLGOQQSA-N 1 3 360.420 2.763 20 0 FFADHO COCCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000268807575 251390813 /nfs/dbraw/zinc/39/08/13/251390813.db2.gz CDDRIKOTDCEWNE-KNQAVFIVSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccco1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272425513 252037006 /nfs/dbraw/zinc/03/70/06/252037006.db2.gz HBVYRAUGTMLBEG-AOIWGVFYSA-N 1 3 355.482 2.785 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)[C@H]2C1 ZINC000272454190 252042959 /nfs/dbraw/zinc/04/29/59/252042959.db2.gz NAZNAMOXWYCWSN-ZACQAIPSSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)[C@H]2C1 ZINC000272454190 252042961 /nfs/dbraw/zinc/04/29/61/252042961.db2.gz NAZNAMOXWYCWSN-ZACQAIPSSA-N 1 3 362.543 2.621 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C)CC1 ZINC000272696494 252103606 /nfs/dbraw/zinc/10/36/06/252103606.db2.gz XJAZUSBUZLNFOG-PUHATCMVSA-N 1 3 372.601 2.759 20 0 FFADHO CN(CCc1cnccn1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000272707075 252107920 /nfs/dbraw/zinc/10/79/20/252107920.db2.gz BXPXCRJMMAZTEK-UHFFFAOYSA-N 1 3 353.514 2.682 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000272742301 252118670 /nfs/dbraw/zinc/11/86/70/252118670.db2.gz MGXXTNQNQHQBLR-FXAWDEMLSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000272742312 252118749 /nfs/dbraw/zinc/11/87/49/252118749.db2.gz MGXXTNQNQHQBLR-YLJYHZDGSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@H](NCc1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1)c1cnn(C)c1 ZINC000273245712 252262698 /nfs/dbraw/zinc/26/26/98/252262698.db2.gz BGMHPMLGUJKYQI-HOTGVXAUSA-N 1 3 352.486 2.855 20 0 FFADHO CS[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1[NH+]1CCCC1 ZINC000273517188 252321752 /nfs/dbraw/zinc/32/17/52/252321752.db2.gz OSNUGJYXDHQKNP-UXHICEINSA-N 1 3 373.566 2.934 20 0 FFADHO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000273515792 252322126 /nfs/dbraw/zinc/32/21/26/252322126.db2.gz RWFJNJNXKFHFAH-LJQANCHMSA-N 1 3 357.523 2.646 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000278696745 256339082 /nfs/dbraw/zinc/33/90/82/256339082.db2.gz OYIHPTGFNBGTGA-NRFANRHFSA-N 1 3 353.510 2.663 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000278696745 256339084 /nfs/dbraw/zinc/33/90/84/256339084.db2.gz OYIHPTGFNBGTGA-NRFANRHFSA-N 1 3 353.510 2.663 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000278757036 256344836 /nfs/dbraw/zinc/34/48/36/256344836.db2.gz XFXZUJQABROANO-IAGOWNOFSA-N 1 3 361.486 2.795 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000278757036 256344837 /nfs/dbraw/zinc/34/48/37/256344837.db2.gz XFXZUJQABROANO-IAGOWNOFSA-N 1 3 361.486 2.795 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000286163001 257023162 /nfs/dbraw/zinc/02/31/62/257023162.db2.gz QLQDOUHLNZGJNL-HOCLYGCPSA-N 1 3 357.420 2.723 20 0 FFADHO CC(C)[N@H+](C)CCCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000287477008 257091340 /nfs/dbraw/zinc/09/13/40/257091340.db2.gz YRHANCPFVMIELG-UHFFFAOYSA-N 1 3 371.529 2.572 20 0 FFADHO CC(C)[N@@H+](C)CCCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000287477008 257091341 /nfs/dbraw/zinc/09/13/41/257091341.db2.gz YRHANCPFVMIELG-UHFFFAOYSA-N 1 3 371.529 2.572 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H](c1ccccc1)N(C)C ZINC000287719315 257105092 /nfs/dbraw/zinc/10/50/92/257105092.db2.gz BCKZLEOFWFUMGZ-MTFMMBMASA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H](c1ccccc1)N(C)C ZINC000287719315 257105094 /nfs/dbraw/zinc/10/50/94/257105094.db2.gz BCKZLEOFWFUMGZ-MTFMMBMASA-N 1 3 358.530 2.804 20 0 FFADHO Cc1cc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc(C)c1O ZINC000289320594 257274638 /nfs/dbraw/zinc/27/46/38/257274638.db2.gz SYCCGNJTTHRMQH-UHFFFAOYSA-N 1 3 355.482 2.590 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Br)nc1 ZINC000289757878 257297173 /nfs/dbraw/zinc/29/71/73/257297173.db2.gz MWJKZWZHGYZWLY-CYBMUJFWSA-N 1 3 355.324 2.521 20 0 FFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289765814 257297997 /nfs/dbraw/zinc/29/79/97/257297997.db2.gz RCYYCJHPWMRGML-RTBURBONSA-N 1 3 356.466 2.814 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1O ZINC000289873615 257304013 /nfs/dbraw/zinc/30/40/13/257304013.db2.gz SGMFSANNZOVKJT-QGZVFWFLSA-N 1 3 369.509 2.999 20 0 FFADHO CCOc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000289923862 257306677 /nfs/dbraw/zinc/30/66/77/257306677.db2.gz VYAYUSGLNXNOGR-UHFFFAOYSA-N 1 3 373.541 2.899 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290475278 257334034 /nfs/dbraw/zinc/33/40/34/257334034.db2.gz NTHRMDBJCSVFMZ-APWZRJJASA-N 1 3 360.498 2.791 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290475278 257334035 /nfs/dbraw/zinc/33/40/35/257334035.db2.gz NTHRMDBJCSVFMZ-APWZRJJASA-N 1 3 360.498 2.791 20 0 FFADHO COc1ccc2oc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)cc2c1 ZINC000289540033 257286316 /nfs/dbraw/zinc/28/63/16/257286316.db2.gz WTPMYDITVIJQGN-UHFFFAOYSA-N 1 3 357.498 2.901 20 0 FFADHO CC1CC[NH+](CCC[C@H](NCC2(CO)COC2)c2ccc(F)cc2)CC1 ZINC000291291579 257396107 /nfs/dbraw/zinc/39/61/07/257396107.db2.gz RUFSJUSXLLUBQR-FQEVSTJZSA-N 1 3 364.505 2.977 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1 ZINC000297330229 257818064 /nfs/dbraw/zinc/81/80/64/257818064.db2.gz BOCYOTIQNIZVGO-LJQANCHMSA-N 1 3 362.493 2.745 20 0 FFADHO Cc1[nH+]c2ccccc2c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1C ZINC000302096066 258087824 /nfs/dbraw/zinc/08/78/24/258087824.db2.gz SCJUVPCDUWXYLI-LJQANCHMSA-N 1 3 352.482 2.770 20 0 FFADHO COc1cccc(C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C2CC2)c1 ZINC000370982815 512164044 /nfs/dbraw/zinc/16/40/44/512164044.db2.gz RQKVXQYWXBCARR-DENIHFKCSA-N 1 3 357.542 2.774 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(CCc2ccccc2)CC1 ZINC000410310937 512236962 /nfs/dbraw/zinc/23/69/62/512236962.db2.gz BFTGOYAKNMBEGO-RTWAWAEBSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCN(CCc2ccccc2)CC1 ZINC000410310937 512236965 /nfs/dbraw/zinc/23/69/65/512236965.db2.gz BFTGOYAKNMBEGO-RTWAWAEBSA-N 1 3 370.541 2.620 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000410327359 512240176 /nfs/dbraw/zinc/24/01/76/512240176.db2.gz JRBXCICLUOMCRQ-RTWAWAEBSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000410327359 512240180 /nfs/dbraw/zinc/24/01/80/512240180.db2.gz JRBXCICLUOMCRQ-RTWAWAEBSA-N 1 3 370.541 2.885 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000373329761 512277161 /nfs/dbraw/zinc/27/71/61/512277161.db2.gz AJOHFFVVJTVMCP-UHFFFAOYSA-N 1 3 371.525 2.629 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000054726043 506610437 /nfs/dbraw/zinc/61/04/37/506610437.db2.gz XLMNVNJOIMDWKU-HZPDHXFCSA-N 1 3 350.551 2.669 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(-n4cccc4)c3)CC2)CC1 ZINC000050801403 507713486 /nfs/dbraw/zinc/71/34/86/507713486.db2.gz XHZXQVFPHIADOJ-UHFFFAOYSA-N 1 3 366.509 2.766 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)C1 ZINC000052523471 507812126 /nfs/dbraw/zinc/81/21/26/507812126.db2.gz OTFPRDWVINXTTN-YLJYHZDGSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)C1 ZINC000052523471 507812128 /nfs/dbraw/zinc/81/21/28/507812128.db2.gz OTFPRDWVINXTTN-YLJYHZDGSA-N 1 3 358.530 2.812 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000107329580 507844132 /nfs/dbraw/zinc/84/41/32/507844132.db2.gz XYDUUZTWFSIVSC-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccccc2CN(C)C)CC1 ZINC000072816119 507856897 /nfs/dbraw/zinc/85/68/97/507856897.db2.gz MZBHXYQFARZXCU-UHFFFAOYSA-N 1 3 366.509 2.984 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000108298426 507885429 /nfs/dbraw/zinc/88/54/29/507885429.db2.gz WPVPEOSFBLKIFE-AZUAARDMSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000108298426 507885430 /nfs/dbraw/zinc/88/54/30/507885430.db2.gz WPVPEOSFBLKIFE-AZUAARDMSA-N 1 3 359.489 2.638 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000108590387 507907120 /nfs/dbraw/zinc/90/71/20/507907120.db2.gz FZLXEGCNERUGQA-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000108590387 507907123 /nfs/dbraw/zinc/90/71/23/507907123.db2.gz FZLXEGCNERUGQA-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000079167162 507939650 /nfs/dbraw/zinc/93/96/50/507939650.db2.gz UWMLJXHZZPNUTA-IBGZPJMESA-N 1 3 372.557 2.725 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000074250605 508001926 /nfs/dbraw/zinc/00/19/26/508001926.db2.gz YYYGDOHHELMSPZ-UHFFFAOYSA-N 1 3 372.557 2.680 20 0 FFADHO C[C@@H](CNC(=O)NC1CCN(CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000079974293 508022061 /nfs/dbraw/zinc/02/20/61/508022061.db2.gz IWZVTLQSINJLMP-IBGZPJMESA-N 1 3 372.557 2.725 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000079985248 508023164 /nfs/dbraw/zinc/02/31/64/508023164.db2.gz QNXZXHGENYOQAK-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000430615868 513704186 /nfs/dbraw/zinc/70/41/86/513704186.db2.gz DQQXFSOBQICVDX-SWLSCSKDSA-N 1 3 354.292 2.979 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000074792688 508056024 /nfs/dbraw/zinc/05/60/24/508056024.db2.gz IVQKUWYKRCUXEC-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000074792688 508056027 /nfs/dbraw/zinc/05/60/27/508056027.db2.gz IVQKUWYKRCUXEC-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000074823629 508058587 /nfs/dbraw/zinc/05/85/87/508058587.db2.gz IZPDLGUOHZIMOO-UHFFFAOYSA-N 1 3 366.509 2.984 20 0 FFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000430615868 513704188 /nfs/dbraw/zinc/70/41/88/513704188.db2.gz DQQXFSOBQICVDX-SWLSCSKDSA-N 1 3 354.292 2.979 20 0 FFADHO CN1CCN(CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092561126 508082141 /nfs/dbraw/zinc/08/21/41/508082141.db2.gz QYZDAFXYDOJSLW-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO CC(=O)Nc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000092587235 508084489 /nfs/dbraw/zinc/08/44/89/508084489.db2.gz MVDRCBHHIKVNAO-IAGOWNOFSA-N 1 3 359.514 2.966 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000076072793 508155031 /nfs/dbraw/zinc/15/50/31/508155031.db2.gz PVIHKNGZTCJSOZ-OAQYLSRUSA-N 1 3 372.557 2.949 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000076072793 508155033 /nfs/dbraw/zinc/15/50/33/508155033.db2.gz PVIHKNGZTCJSOZ-OAQYLSRUSA-N 1 3 372.557 2.949 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)N(C)C)cc1 ZINC000076319838 508186548 /nfs/dbraw/zinc/18/65/48/508186548.db2.gz KQJKFDLQQZEREN-UXHICEINSA-N 1 3 361.530 2.507 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCN2CCCC2)CC1 ZINC000112742416 508218636 /nfs/dbraw/zinc/21/86/36/508218636.db2.gz VKSTYTMWIWCVJS-UHFFFAOYSA-N 1 3 358.530 2.697 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000101518525 508242295 /nfs/dbraw/zinc/24/22/95/508242295.db2.gz NEAHDYGXOCYKMS-KRWDZBQOSA-N 1 3 360.477 2.795 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000101518525 508242296 /nfs/dbraw/zinc/24/22/96/508242296.db2.gz NEAHDYGXOCYKMS-KRWDZBQOSA-N 1 3 360.477 2.795 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000102060649 508266443 /nfs/dbraw/zinc/26/64/43/508266443.db2.gz OXEAOJILDFLOOY-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000102060649 508266445 /nfs/dbraw/zinc/26/64/45/508266445.db2.gz OXEAOJILDFLOOY-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000113580851 508273405 /nfs/dbraw/zinc/27/34/05/508273405.db2.gz BVNAYYHCBQPFEZ-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000084441760 508279494 /nfs/dbraw/zinc/27/94/94/508279494.db2.gz YJYOMDNZGPEBGW-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000084441732 508279779 /nfs/dbraw/zinc/27/97/79/508279779.db2.gz PALMDSUQYZPOKK-UHFFFAOYSA-N 1 3 352.548 2.696 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(F)c1 ZINC000077201260 508286310 /nfs/dbraw/zinc/28/63/10/508286310.db2.gz ISNFSGDEQGUQCY-QGZVFWFLSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(F)c1 ZINC000077201260 508286312 /nfs/dbraw/zinc/28/63/12/508286312.db2.gz ISNFSGDEQGUQCY-QGZVFWFLSA-N 1 3 354.445 2.845 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000103204733 508301955 /nfs/dbraw/zinc/30/19/55/508301955.db2.gz YWGIXUSECPTOBW-KSZLIROESA-N 1 3 361.530 2.895 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000085385858 508304220 /nfs/dbraw/zinc/30/42/20/508304220.db2.gz JAONYZUZIJZHKC-HOJAQTOUSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000085385858 508304223 /nfs/dbraw/zinc/30/42/23/508304223.db2.gz JAONYZUZIJZHKC-HOJAQTOUSA-N 1 3 358.530 2.805 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC)C2)N(C)C)cc1 ZINC000105083230 508359776 /nfs/dbraw/zinc/35/97/76/508359776.db2.gz NPKYUJQRVDFDAV-QUCCMNQESA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](CC)C2)N(C)C)cc1 ZINC000105083230 508359777 /nfs/dbraw/zinc/35/97/77/508359777.db2.gz NPKYUJQRVDFDAV-QUCCMNQESA-N 1 3 360.546 2.883 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCCCC1 ZINC000105081550 508359903 /nfs/dbraw/zinc/35/99/03/508359903.db2.gz FNLYDKCTYXHPFL-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)N1CCc2ccccc2C1 ZINC000105126153 508362314 /nfs/dbraw/zinc/36/23/14/508362314.db2.gz KQFHNBSKNZUNNS-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)N1CCc2ccccc2C1 ZINC000105126153 508362316 /nfs/dbraw/zinc/36/23/16/508362316.db2.gz KQFHNBSKNZUNNS-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)C1CC1 ZINC000105269840 508367952 /nfs/dbraw/zinc/36/79/52/508367952.db2.gz IFWONPMFXYPLEN-MSOLQXFVSA-N 1 3 350.551 2.623 20 0 FFADHO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077776645 508371817 /nfs/dbraw/zinc/37/18/17/508371817.db2.gz PSXQIZSALRLXCS-QGZVFWFLSA-N 1 3 364.534 2.736 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000133986299 508477537 /nfs/dbraw/zinc/47/75/37/508477537.db2.gz FFXCQTNLXQYSCW-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000133986299 508477539 /nfs/dbraw/zinc/47/75/39/508477539.db2.gz FFXCQTNLXQYSCW-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO CCOC(=O)COc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152682437 508493791 /nfs/dbraw/zinc/49/37/91/508493791.db2.gz RAULGLCYWXHOFY-UHFFFAOYSA-N 1 3 360.498 2.936 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000127996883 508533263 /nfs/dbraw/zinc/53/32/63/508533263.db2.gz PAWZCXOOAFHUML-ZFWWWQNUSA-N 1 3 352.548 2.813 20 0 FFADHO CC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1OC(F)F ZINC000128135461 508552108 /nfs/dbraw/zinc/55/21/08/508552108.db2.gz AXBLPZRTTICHDR-HOCLYGCPSA-N 1 3 369.456 2.916 20 0 FFADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000122551530 508553011 /nfs/dbraw/zinc/55/30/11/508553011.db2.gz OYEYFMRCHYYPOT-OAHLLOKOSA-N 1 3 363.502 2.885 20 0 FFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCN(C)CC2)c1C ZINC000128363962 508582625 /nfs/dbraw/zinc/58/26/25/508582625.db2.gz DPKKUADSRXUISU-SFHVURJKSA-N 1 3 360.546 2.638 20 0 FFADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000367250464 512406690 /nfs/dbraw/zinc/40/66/90/512406690.db2.gz JAIHZHJMQOJFRP-YYWHXJBOSA-N 1 3 373.541 2.703 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000158186369 508669124 /nfs/dbraw/zinc/66/91/24/508669124.db2.gz PBRSHDZNMOHHAX-NHCUHLMSSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000158186369 508669128 /nfs/dbraw/zinc/66/91/28/508669128.db2.gz PBRSHDZNMOHHAX-NHCUHLMSSA-N 1 3 372.557 2.928 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000119054198 508715319 /nfs/dbraw/zinc/71/53/19/508715319.db2.gz AVZQBUJCGWUYCB-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000158717382 508743954 /nfs/dbraw/zinc/74/39/54/508743954.db2.gz WBJLDIVWFOUGRZ-FQEVSTJZSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@@H](CN[C@H](C)CC(=O)Nc1ccc(OC)cc1OC)[NH+]1CCCC1 ZINC000119283853 508764268 /nfs/dbraw/zinc/76/42/68/508764268.db2.gz HUIVWHGYNUQMKH-CVEARBPZSA-N 1 3 363.502 2.885 20 0 FFADHO CCN1CCN(CCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000124051966 508776112 /nfs/dbraw/zinc/77/61/12/508776112.db2.gz DVAHGKNXVCZBBJ-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(OCCN(C)C)c1 ZINC000154618165 508820257 /nfs/dbraw/zinc/82/02/57/508820257.db2.gz GCSXQFZLNGCXOS-KRWDZBQOSA-N 1 3 360.502 2.637 20 0 FFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)c1 ZINC000124539738 508848244 /nfs/dbraw/zinc/84/82/44/508848244.db2.gz QCZTVTIFNCHEAU-JAXLGGSGSA-N 1 3 358.574 2.825 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000150766148 508888927 /nfs/dbraw/zinc/88/89/27/508888927.db2.gz SGQZQZKGMOYCHZ-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000150766148 508888930 /nfs/dbraw/zinc/88/89/30/508888930.db2.gz SGQZQZKGMOYCHZ-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO Cc1cc(N2CCCC2)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000131219937 508901276 /nfs/dbraw/zinc/90/12/76/508901276.db2.gz LTNMWNYLFWIVCL-UHFFFAOYSA-N 1 3 361.534 2.552 20 0 FFADHO CCN(CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C1CC1 ZINC000124922857 508905915 /nfs/dbraw/zinc/90/59/15/508905915.db2.gz ZSOQXEMNVCKEKL-UHFFFAOYSA-N 1 3 350.551 2.813 20 0 FFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000120030105 508913927 /nfs/dbraw/zinc/91/39/27/508913927.db2.gz GIZUBAOIBNWCDZ-LJQANCHMSA-N 1 3 363.546 2.642 20 0 FFADHO COc1cc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)ccc1OC(F)F ZINC000150960622 508931124 /nfs/dbraw/zinc/93/11/24/508931124.db2.gz RFHRZIGWNZEANJ-AWEZNQCLSA-N 1 3 371.472 2.973 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000120181501 508944852 /nfs/dbraw/zinc/94/48/52/508944852.db2.gz ZHQVNTMFRAKFSI-LPHOPBHVSA-N 1 3 358.530 2.953 20 0 FFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1OC(C)C ZINC000120189325 508946775 /nfs/dbraw/zinc/94/67/75/508946775.db2.gz JJHQDZJHZFQEMC-UHFFFAOYSA-N 1 3 350.507 2.739 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000120344784 508977863 /nfs/dbraw/zinc/97/78/63/508977863.db2.gz KJDFZNKAVHOIDV-QUCCMNQESA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000120344784 508977868 /nfs/dbraw/zinc/97/78/68/508977868.db2.gz KJDFZNKAVHOIDV-QUCCMNQESA-N 1 3 360.546 2.784 20 0 FFADHO CCCN1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120719684 509051878 /nfs/dbraw/zinc/05/18/78/509051878.db2.gz WLPDZKHHCHSLTP-FQEVSTJZSA-N 1 3 359.514 2.704 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000151652066 509059780 /nfs/dbraw/zinc/05/97/80/509059780.db2.gz SXPRVGPGPPASDH-MSOLQXFVSA-N 1 3 353.551 2.503 20 0 FFADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000120801133 509067297 /nfs/dbraw/zinc/06/72/97/509067297.db2.gz QXGYJKGNPDMECD-UONOGXRCSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000120801133 509067300 /nfs/dbraw/zinc/06/73/00/509067300.db2.gz QXGYJKGNPDMECD-UONOGXRCSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000120801133 509067302 /nfs/dbraw/zinc/06/73/02/509067302.db2.gz QXGYJKGNPDMECD-UONOGXRCSA-N 1 3 353.894 2.997 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000156091639 509125339 /nfs/dbraw/zinc/12/53/39/509125339.db2.gz PNCAXWOZVIFXPN-GOSISDBHSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000156091639 509125343 /nfs/dbraw/zinc/12/53/43/509125343.db2.gz PNCAXWOZVIFXPN-GOSISDBHSA-N 1 3 358.530 2.681 20 0 FFADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)c2cccs2)CC1 ZINC000133367129 509152139 /nfs/dbraw/zinc/15/21/39/509152139.db2.gz YWKOHJRFIJGBIZ-CVEARBPZSA-N 1 3 367.584 2.732 20 0 FFADHO CC(C)N(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000127129910 509169049 /nfs/dbraw/zinc/16/90/49/509169049.db2.gz HYGBCDYHOSGNRF-UHFFFAOYSA-N 1 3 370.335 2.680 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](CCCCCn3nnc(-c4ccccc4)n3)CC[C@H]21 ZINC000247957908 509200428 /nfs/dbraw/zinc/20/04/28/509200428.db2.gz FVJOZYRUXVDVJN-WOJBJXKFSA-N 1 3 368.529 2.927 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)CC[C@H]21 ZINC000247957908 509200432 /nfs/dbraw/zinc/20/04/32/509200432.db2.gz FVJOZYRUXVDVJN-WOJBJXKFSA-N 1 3 368.529 2.927 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000266824962 509213677 /nfs/dbraw/zinc/21/36/77/509213677.db2.gz JNVJYCMJARDVPH-UHFFFAOYSA-N 1 3 367.559 2.777 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248032326 509221220 /nfs/dbraw/zinc/22/12/20/509221220.db2.gz QSKBNSFBBHXLHY-KIZRIRGWSA-N 1 3 358.526 2.858 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248032326 509221224 /nfs/dbraw/zinc/22/12/24/509221224.db2.gz QSKBNSFBBHXLHY-KIZRIRGWSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248032326 509221227 /nfs/dbraw/zinc/22/12/27/509221227.db2.gz QSKBNSFBBHXLHY-KIZRIRGWSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248032326 509221232 /nfs/dbraw/zinc/22/12/32/509221232.db2.gz QSKBNSFBBHXLHY-KIZRIRGWSA-N 1 3 358.526 2.858 20 0 FFADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000179008092 509223595 /nfs/dbraw/zinc/22/35/95/509223595.db2.gz HPELTGWWCDPGTO-FUHWJXTLSA-N 1 3 369.431 2.509 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCN4CCOCC4)[C@H]3C2)cc1 ZINC000248393667 509289228 /nfs/dbraw/zinc/28/92/28/509289228.db2.gz DYZFPASMPZWVEX-FKBYEOEOSA-N 1 3 357.542 2.599 20 0 FFADHO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000248405368 509300470 /nfs/dbraw/zinc/30/04/70/509300470.db2.gz RGAMPXFILOTVLH-XRXFAXGQSA-N 1 3 365.525 2.792 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409978 509304020 /nfs/dbraw/zinc/30/40/20/509304020.db2.gz XOCTZDHRXVBNJS-SQNIBIBYSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409978 509304026 /nfs/dbraw/zinc/30/40/26/509304026.db2.gz XOCTZDHRXVBNJS-SQNIBIBYSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCN1CC(C)(C)O ZINC000188887958 509310221 /nfs/dbraw/zinc/31/02/21/509310221.db2.gz YNGFEHPLXPXXGR-IBGZPJMESA-N 1 3 361.574 2.922 20 0 FFADHO C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCN1CC(C)(C)O ZINC000188887958 509310225 /nfs/dbraw/zinc/31/02/25/509310225.db2.gz YNGFEHPLXPXXGR-IBGZPJMESA-N 1 3 361.574 2.922 20 0 FFADHO C[C@@H](NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733869 509329241 /nfs/dbraw/zinc/32/92/41/509329241.db2.gz GDAKVDMGEPGGSE-HZPDHXFCSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@@H](NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733869 509329249 /nfs/dbraw/zinc/32/92/49/509329249.db2.gz GDAKVDMGEPGGSE-HZPDHXFCSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185733869 509329258 /nfs/dbraw/zinc/32/92/58/509329258.db2.gz GDAKVDMGEPGGSE-HZPDHXFCSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@H](NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733849 509329759 /nfs/dbraw/zinc/32/97/59/509329759.db2.gz GDAKVDMGEPGGSE-JKSUJKDBSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@H](NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733849 509329765 /nfs/dbraw/zinc/32/97/65/509329765.db2.gz GDAKVDMGEPGGSE-JKSUJKDBSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185733849 509329773 /nfs/dbraw/zinc/32/97/73/509329773.db2.gz GDAKVDMGEPGGSE-JKSUJKDBSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@@H](NC[C@H](O)COc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755872 509339925 /nfs/dbraw/zinc/33/99/25/509339925.db2.gz VRACUBCARYHZJX-MDZRGWNJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H](NC[C@H](O)COc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755872 509339933 /nfs/dbraw/zinc/33/99/33/509339933.db2.gz VRACUBCARYHZJX-MDZRGWNJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185755872 509339942 /nfs/dbraw/zinc/33/99/42/509339942.db2.gz VRACUBCARYHZJX-MDZRGWNJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000185762660 509342403 /nfs/dbraw/zinc/34/24/03/509342403.db2.gz MLPVHKUNPNJAES-GOSISDBHSA-N 1 3 373.545 2.862 20 0 FFADHO CN(CCOc1ccc(Cl)c(F)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000192134743 509363756 /nfs/dbraw/zinc/36/37/56/509363756.db2.gz AMVGVEPDMQIHCN-UHFFFAOYSA-N 1 3 357.901 2.816 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000163641286 509405469 /nfs/dbraw/zinc/40/54/69/509405469.db2.gz UUWYSDKNBBMONH-DSKINZAPSA-N 1 3 373.541 2.974 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])cc2)CC1 ZINC000236612087 509464572 /nfs/dbraw/zinc/46/45/72/509464572.db2.gz WOLLMEGEIYUMAL-XLIONFOSSA-N 1 3 358.530 2.559 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248747510 509465551 /nfs/dbraw/zinc/46/55/51/509465551.db2.gz UARUVTHYFSVRJD-MXEMCNAFSA-N 1 3 356.510 2.691 20 0 FFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000236741534 509494716 /nfs/dbraw/zinc/49/47/16/509494716.db2.gz ANVSFCUFHNAHNS-KRWDZBQOSA-N 1 3 350.482 2.668 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000236895604 509528456 /nfs/dbraw/zinc/52/84/56/509528456.db2.gz RNWNRBDHNABKJQ-YADHBBJMSA-N 1 3 365.521 2.927 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000236895604 509528463 /nfs/dbraw/zinc/52/84/63/509528463.db2.gz RNWNRBDHNABKJQ-YADHBBJMSA-N 1 3 365.521 2.927 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000248939018 509549124 /nfs/dbraw/zinc/54/91/24/509549124.db2.gz YPDSCCKUFNTDCX-QWFCFKBJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc(OCCN(C)C)c1 ZINC000166514205 509609670 /nfs/dbraw/zinc/60/96/70/509609670.db2.gz DLVIABUYTHZYBD-PKOBYXMFSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183140411 509621490 /nfs/dbraw/zinc/62/14/90/509621490.db2.gz DOGSXPXSSXJDIM-XXTHSBEZSA-N 1 3 370.585 2.513 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237325645 509623017 /nfs/dbraw/zinc/62/30/17/509623017.db2.gz UPLYPAWQZJWUPL-SFTDATJTSA-N 1 3 367.493 2.691 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000168942131 509653062 /nfs/dbraw/zinc/65/30/62/509653062.db2.gz GNIQDNRUSDUPLC-MRXNPFEDSA-N 1 3 373.463 2.746 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000237490238 509661421 /nfs/dbraw/zinc/66/14/21/509661421.db2.gz ONOXOOCTXZGCLJ-RLLQIKCJSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000186355759 509667660 /nfs/dbraw/zinc/66/76/60/509667660.db2.gz LERHPOLLAZEYLM-AABGKKOBSA-N 1 3 361.530 2.589 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000237573153 509681142 /nfs/dbraw/zinc/68/11/42/509681142.db2.gz BNGNDNMVWCQUCV-XLIONFOSSA-N 1 3 373.541 2.855 20 0 FFADHO C[C@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000237605322 509689122 /nfs/dbraw/zinc/68/91/22/509689122.db2.gz ROMWQMMPEPYUBU-QGZVFWFLSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000268009345 509715349 /nfs/dbraw/zinc/71/53/49/509715349.db2.gz GHWOZHAUFWKQLW-GOSISDBHSA-N 1 3 364.534 2.865 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000268009345 509715360 /nfs/dbraw/zinc/71/53/60/509715360.db2.gz GHWOZHAUFWKQLW-GOSISDBHSA-N 1 3 364.534 2.865 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000189719496 509719710 /nfs/dbraw/zinc/71/97/10/509719710.db2.gz LEVHWUKGWKPABQ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000180138185 509772792 /nfs/dbraw/zinc/77/27/92/509772792.db2.gz NDHSRVHEPSUIQO-VLGPWRRXSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)N1CCOCC1 ZINC000180138185 509772801 /nfs/dbraw/zinc/77/28/01/509772801.db2.gz NDHSRVHEPSUIQO-VLGPWRRXSA-N 1 3 357.542 2.881 20 0 FFADHO C[NH+](C)CCCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000264944554 509788576 /nfs/dbraw/zinc/78/85/76/509788576.db2.gz WTOQVIZUWMWRQS-SFHVURJKSA-N 1 3 371.447 2.899 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CC1 ZINC000251667675 509814987 /nfs/dbraw/zinc/81/49/87/509814987.db2.gz LOOXEOWYAJYFLG-RTWAWAEBSA-N 1 3 368.525 2.553 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CC1 ZINC000251667675 509814994 /nfs/dbraw/zinc/81/49/94/509814994.db2.gz LOOXEOWYAJYFLG-RTWAWAEBSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000173863348 509821789 /nfs/dbraw/zinc/82/17/89/509821789.db2.gz DSUKOHZGOIPTRJ-HOJAQTOUSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000173863348 509821794 /nfs/dbraw/zinc/82/17/94/509821794.db2.gz DSUKOHZGOIPTRJ-HOJAQTOUSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958794 509876174 /nfs/dbraw/zinc/87/61/74/509876174.db2.gz PFRXOKVOPFVTEG-GUDVDZBRSA-N 1 3 365.562 2.741 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000186891902 509933676 /nfs/dbraw/zinc/93/36/76/509933676.db2.gz NPCZKRKLNNTZGQ-HFTRVMKXSA-N 1 3 369.431 2.555 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000183710336 509939503 /nfs/dbraw/zinc/93/95/03/509939503.db2.gz RZIHQOXCUCNFOI-KRWDZBQOSA-N 1 3 361.530 2.644 20 0 FFADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000171130074 509960645 /nfs/dbraw/zinc/96/06/45/509960645.db2.gz YYJIIASVGVYURJ-OAHLLOKOSA-N 1 3 361.511 2.971 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2)CC1 ZINC000187016985 510008257 /nfs/dbraw/zinc/00/82/57/510008257.db2.gz OROPBMMHNKPWKH-UHFFFAOYSA-N 1 3 372.557 2.773 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000190233566 510018293 /nfs/dbraw/zinc/01/82/93/510018293.db2.gz HGNZREVAVWILFM-UHFFFAOYSA-N 1 3 373.545 2.815 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190253066 510029005 /nfs/dbraw/zinc/02/90/05/510029005.db2.gz YGGMIWOANRLJJZ-FXAWDEMLSA-N 1 3 373.541 2.687 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190253066 510029008 /nfs/dbraw/zinc/02/90/08/510029008.db2.gz YGGMIWOANRLJJZ-FXAWDEMLSA-N 1 3 373.541 2.687 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](N)C2CCOCC2)CCCC1)c1ccccc1 ZINC000261770095 510058551 /nfs/dbraw/zinc/05/85/51/510058551.db2.gz MFVFZUXDKXGDRV-VQIMIIECSA-N 1 3 359.514 2.520 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000245677995 510077050 /nfs/dbraw/zinc/07/70/50/510077050.db2.gz GDWNAERDQDWCTC-ZWKOTPCHSA-N 1 3 374.554 2.616 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000245677995 510077058 /nfs/dbraw/zinc/07/70/58/510077058.db2.gz GDWNAERDQDWCTC-ZWKOTPCHSA-N 1 3 374.554 2.616 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000177491609 510092634 /nfs/dbraw/zinc/09/26/34/510092634.db2.gz CJBPXIIIGVOULG-WOIUINJBSA-N 1 3 360.542 2.801 20 0 FFADHO COc1cccc2c1CC[C@@H]2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000268845200 510097010 /nfs/dbraw/zinc/09/70/10/510097010.db2.gz NTEVIYSNYWOSKJ-FQEVSTJZSA-N 1 3 367.493 2.764 20 0 FFADHO Fc1ccc(Br)cc1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000261875857 510097504 /nfs/dbraw/zinc/09/75/04/510097504.db2.gz VUGFNEYJSYXLLI-UHFFFAOYSA-N 1 3 370.310 2.705 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000245880035 510183438 /nfs/dbraw/zinc/18/34/38/510183438.db2.gz KQMZYGNIUKFTAO-PWRODBHTSA-N 1 3 357.542 2.727 20 0 FFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180940324 510194522 /nfs/dbraw/zinc/19/45/22/510194522.db2.gz OTMNOIVGJIDDRE-RBUKOAKNSA-N 1 3 374.573 2.519 20 0 FFADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000245952630 510226049 /nfs/dbraw/zinc/22/60/49/510226049.db2.gz CFEYSGDZRSVDMX-IXDOHACOSA-N 1 3 367.559 2.743 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000245952630 510226053 /nfs/dbraw/zinc/22/60/53/510226053.db2.gz CFEYSGDZRSVDMX-IXDOHACOSA-N 1 3 367.559 2.743 20 0 FFADHO CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174711749 510265505 /nfs/dbraw/zinc/26/55/05/510265505.db2.gz BGFHQOHRFDJWFG-GOSISDBHSA-N 1 3 360.546 2.706 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000177849006 510288213 /nfs/dbraw/zinc/28/82/13/510288213.db2.gz HRGFPKITRKXFCP-FQEVSTJZSA-N 1 3 372.557 2.677 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000177849006 510288218 /nfs/dbraw/zinc/28/82/18/510288218.db2.gz HRGFPKITRKXFCP-FQEVSTJZSA-N 1 3 372.557 2.677 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000174790447 510313708 /nfs/dbraw/zinc/31/37/08/510313708.db2.gz HOTJYQXMWVOGND-LJQANCHMSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000174790447 510313717 /nfs/dbraw/zinc/31/37/17/510313717.db2.gz HOTJYQXMWVOGND-LJQANCHMSA-N 1 3 370.541 2.777 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@H](N4CCCCC4)C3)ccc21 ZINC000269261953 510314774 /nfs/dbraw/zinc/31/47/74/510314774.db2.gz MYUSDLGUJBJSRY-IBGZPJMESA-N 1 3 354.498 2.691 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[NH+]1CCCC1 ZINC000246140039 510315901 /nfs/dbraw/zinc/31/59/01/510315901.db2.gz BUKGUWCRZDJXNH-NEWSRXKRSA-N 1 3 352.567 2.869 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1(C)C ZINC000262775514 510407338 /nfs/dbraw/zinc/40/73/38/510407338.db2.gz JGBCUFRMDABSHZ-IKVWTGGYSA-N 1 3 365.562 2.632 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1(C)C ZINC000262775514 510407344 /nfs/dbraw/zinc/40/73/44/510407344.db2.gz JGBCUFRMDABSHZ-IKVWTGGYSA-N 1 3 365.562 2.632 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262778856 510409430 /nfs/dbraw/zinc/40/94/30/510409430.db2.gz KGBGOSOISYNSPI-VGYLUTEMSA-N 1 3 373.541 2.688 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262778856 510409436 /nfs/dbraw/zinc/40/94/36/510409436.db2.gz KGBGOSOISYNSPI-VGYLUTEMSA-N 1 3 373.541 2.688 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000262784024 510411014 /nfs/dbraw/zinc/41/10/14/510411014.db2.gz LVUWRSKZGWOEEB-SIKLNZKXSA-N 1 3 373.541 2.608 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000262801598 510418355 /nfs/dbraw/zinc/41/83/55/510418355.db2.gz PGRAPKARTOHHTJ-APWZRJJASA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000262801598 510418361 /nfs/dbraw/zinc/41/83/61/510418361.db2.gz PGRAPKARTOHHTJ-APWZRJJASA-N 1 3 361.555 2.630 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246310443 510419608 /nfs/dbraw/zinc/41/96/08/510419608.db2.gz NPLLPOSFFKVVND-OTWHNJEPSA-N 1 3 350.551 2.908 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246310443 510419613 /nfs/dbraw/zinc/41/96/13/510419613.db2.gz NPLLPOSFFKVVND-OTWHNJEPSA-N 1 3 350.551 2.908 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)C1CC1 ZINC000184695326 510468338 /nfs/dbraw/zinc/46/83/38/510468338.db2.gz PECZOSRGGVQTTR-OAQYLSRUSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246497176 510521325 /nfs/dbraw/zinc/52/13/25/510521325.db2.gz RXLSQENJHUSHBR-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246497176 510521333 /nfs/dbraw/zinc/52/13/33/510521333.db2.gz RXLSQENJHUSHBR-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC([NH2+]C(C)C)CC3)c2)CC1 ZINC000184929400 510590983 /nfs/dbraw/zinc/59/09/83/510590983.db2.gz HBWJOBUENNKCIY-UHFFFAOYSA-N 1 3 373.545 2.823 20 0 FFADHO CC(C)(C)[NH+]1CCC(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000178539174 510653529 /nfs/dbraw/zinc/65/35/29/510653529.db2.gz HOLQWWPAFPEBFZ-CTNGQTDRSA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000178539174 510653531 /nfs/dbraw/zinc/65/35/31/510653531.db2.gz HOLQWWPAFPEBFZ-CTNGQTDRSA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000191532866 510708593 /nfs/dbraw/zinc/70/85/93/510708593.db2.gz RSRUKBKXWOOOGR-JOCHJYFZSA-N 1 3 359.558 2.774 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000191532866 510708594 /nfs/dbraw/zinc/70/85/94/510708594.db2.gz RSRUKBKXWOOOGR-JOCHJYFZSA-N 1 3 359.558 2.774 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@@H](C)C1 ZINC000246875366 510723453 /nfs/dbraw/zinc/72/34/53/510723453.db2.gz SQBDGDCIFSKQQH-OTWHNJEPSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@@H](C)C1 ZINC000246875366 510723458 /nfs/dbraw/zinc/72/34/58/510723458.db2.gz SQBDGDCIFSKQQH-OTWHNJEPSA-N 1 3 353.551 2.504 20 0 FFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000246880979 510724356 /nfs/dbraw/zinc/72/43/56/510724356.db2.gz DADMCHHKCHMPCS-UGNRZPKXSA-N 1 3 373.541 2.756 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H](C)O1 ZINC000195250496 510737598 /nfs/dbraw/zinc/73/75/98/510737598.db2.gz RKNWHOUMVYAQFA-KDURUIRLSA-N 1 3 356.514 2.910 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000172542286 510782878 /nfs/dbraw/zinc/78/28/78/510782878.db2.gz NHMHAYHEXKDBMX-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000172542286 510782882 /nfs/dbraw/zinc/78/28/82/510782882.db2.gz NHMHAYHEXKDBMX-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000247002360 510792050 /nfs/dbraw/zinc/79/20/50/510792050.db2.gz RHYVXIAEQMLYDM-NZSAHSFTSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000247002360 510792057 /nfs/dbraw/zinc/79/20/57/510792057.db2.gz RHYVXIAEQMLYDM-NZSAHSFTSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000263727954 510812782 /nfs/dbraw/zinc/81/27/82/510812782.db2.gz MRWLDNWNWAHKKF-HZPDHXFCSA-N 1 3 352.548 2.600 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000247048104 510815600 /nfs/dbraw/zinc/81/56/00/510815600.db2.gz MAJQGGHCPCOGLP-JIYIMXKPSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000247048104 510815608 /nfs/dbraw/zinc/81/56/08/510815608.db2.gz MAJQGGHCPCOGLP-JIYIMXKPSA-N 1 3 361.530 2.596 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247076369 510828015 /nfs/dbraw/zinc/82/80/15/510828015.db2.gz QOKOZDMVCIKHKO-IXDOHACOSA-N 1 3 368.543 2.630 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000247128956 510842147 /nfs/dbraw/zinc/84/21/47/510842147.db2.gz VGXPIMZJFWUYRZ-FBPDVEOQSA-N 1 3 352.544 2.964 20 0 FFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@@H](C)C1 ZINC000247264979 510854853 /nfs/dbraw/zinc/85/48/53/510854853.db2.gz ZLESGQKETIBUIX-CDXJDZJCSA-N 1 3 361.530 2.598 20 0 FFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@@H](C)C1 ZINC000247264979 510854854 /nfs/dbraw/zinc/85/48/54/510854854.db2.gz ZLESGQKETIBUIX-CDXJDZJCSA-N 1 3 361.530 2.598 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247376308 510859017 /nfs/dbraw/zinc/85/90/17/510859017.db2.gz STLLHBZKVOWMPD-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247376308 510859018 /nfs/dbraw/zinc/85/90/18/510859018.db2.gz STLLHBZKVOWMPD-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000285423851 510901381 /nfs/dbraw/zinc/90/13/81/510901381.db2.gz YIHNJOSZNUBBKV-MOPGFXCFSA-N 1 3 352.544 2.972 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000285423851 510901386 /nfs/dbraw/zinc/90/13/86/510901386.db2.gz YIHNJOSZNUBBKV-MOPGFXCFSA-N 1 3 352.544 2.972 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCCN1CCN(c2ccccc2)CC1 ZINC000285426500 510901812 /nfs/dbraw/zinc/90/18/12/510901812.db2.gz DYJKHKIUQAXOIT-IFMALSPDSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000285426500 510901816 /nfs/dbraw/zinc/90/18/16/510901816.db2.gz DYJKHKIUQAXOIT-IFMALSPDSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000285426500 510901819 /nfs/dbraw/zinc/90/18/19/510901819.db2.gz DYJKHKIUQAXOIT-IFMALSPDSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360669922 510935291 /nfs/dbraw/zinc/93/52/91/510935291.db2.gz FSISMDSTTCYGLD-TYPHKJRUSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360669922 510935294 /nfs/dbraw/zinc/93/52/94/510935294.db2.gz FSISMDSTTCYGLD-TYPHKJRUSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000362079591 511127780 /nfs/dbraw/zinc/12/77/80/511127780.db2.gz PUYJMZXQTMSZLE-QFBILLFUSA-N 1 3 351.922 2.677 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000362079591 511127784 /nfs/dbraw/zinc/12/77/84/511127784.db2.gz PUYJMZXQTMSZLE-QFBILLFUSA-N 1 3 351.922 2.677 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000333272032 511184104 /nfs/dbraw/zinc/18/41/04/511184104.db2.gz GGBXFDWIFXMTIL-CQSZACIVSA-N 1 3 366.893 2.768 20 0 FFADHO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc2C1 ZINC000333306130 511197999 /nfs/dbraw/zinc/19/79/99/511197999.db2.gz KYAYQTGSFNESNZ-SFHVURJKSA-N 1 3 371.529 2.627 20 0 FFADHO CN1CCC2(CC1)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1O2 ZINC000291483477 511215545 /nfs/dbraw/zinc/21/55/45/511215545.db2.gz NDFWGEHIUUNCJJ-LJQANCHMSA-N 1 3 371.525 2.823 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H]1C ZINC000279873267 511247707 /nfs/dbraw/zinc/24/77/07/511247707.db2.gz JSGQGHHACWDZKU-LRQRDZAKSA-N 1 3 374.525 2.711 20 0 FFADHO CN1CCC(Oc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000291605742 511264432 /nfs/dbraw/zinc/26/44/32/511264432.db2.gz JAJKOWXIPJZEQN-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000298581562 511336763 /nfs/dbraw/zinc/33/67/63/511336763.db2.gz MJXDUXIHPTYZPI-MRXNPFEDSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2=CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000271859433 511349979 /nfs/dbraw/zinc/34/99/79/511349979.db2.gz IFAZDHKLNKOGPM-FXAWDEMLSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2=CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000271859433 511349984 /nfs/dbraw/zinc/34/99/84/511349984.db2.gz IFAZDHKLNKOGPM-FXAWDEMLSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292024372 511436259 /nfs/dbraw/zinc/43/62/59/511436259.db2.gz CRMLGDOYEHIQPA-IRXDYDNUSA-N 1 3 359.514 2.540 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292166380 511490649 /nfs/dbraw/zinc/49/06/49/511490649.db2.gz NWSAYEMRSMYPTQ-DQLDELGASA-N 1 3 373.541 2.807 20 0 FFADHO CC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)N(CC)CC ZINC000274277265 511778585 /nfs/dbraw/zinc/77/85/85/511778585.db2.gz ASXWGRMGSTUJCP-SFHVURJKSA-N 1 3 362.518 2.944 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000311823866 511779678 /nfs/dbraw/zinc/77/96/78/511779678.db2.gz QVCZEYHXEMZLNJ-CUWPLCDZSA-N 1 3 351.494 2.961 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000311823866 511779681 /nfs/dbraw/zinc/77/96/81/511779681.db2.gz QVCZEYHXEMZLNJ-CUWPLCDZSA-N 1 3 351.494 2.961 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000312646798 511786574 /nfs/dbraw/zinc/78/65/74/511786574.db2.gz FAADYFJWGHIPHS-VGYLUTEMSA-N 1 3 373.541 2.546 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000312646798 511786582 /nfs/dbraw/zinc/78/65/82/511786582.db2.gz FAADYFJWGHIPHS-VGYLUTEMSA-N 1 3 373.541 2.546 20 0 FFADHO C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000363824996 511791477 /nfs/dbraw/zinc/79/14/77/511791477.db2.gz MUTVOHMAHIKPMK-JXFKEZNVSA-N 1 3 372.513 2.544 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274426832 511831496 /nfs/dbraw/zinc/83/14/96/511831496.db2.gz ACZGAUKJPFVPQV-LJQANCHMSA-N 1 3 374.573 2.674 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274426832 511831499 /nfs/dbraw/zinc/83/14/99/511831499.db2.gz ACZGAUKJPFVPQV-LJQANCHMSA-N 1 3 374.573 2.674 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1(C)C ZINC000363888063 511832188 /nfs/dbraw/zinc/83/21/88/511832188.db2.gz VSJYFHDGUXBQBM-MRXNPFEDSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000274495514 511854718 /nfs/dbraw/zinc/85/47/18/511854718.db2.gz GSFRKMOUQJYPTN-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000274495514 511854723 /nfs/dbraw/zinc/85/47/23/511854723.db2.gz GSFRKMOUQJYPTN-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(CCC4CCOCC4)CC3)C2)cc1 ZINC000293166745 511866319 /nfs/dbraw/zinc/86/63/19/511866319.db2.gz CSDGNZHJSQGPOL-QFIPXVFZSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(CCC4CCOCC4)CC3)C2)cc1 ZINC000293166745 511866322 /nfs/dbraw/zinc/86/63/22/511866322.db2.gz CSDGNZHJSQGPOL-QFIPXVFZSA-N 1 3 357.542 2.695 20 0 FFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)ccn1 ZINC000363953710 511871185 /nfs/dbraw/zinc/87/11/85/511871185.db2.gz NRRGNMDHCLBZTI-ZWKOTPCHSA-N 1 3 357.502 2.572 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296726478 511871498 /nfs/dbraw/zinc/87/14/98/511871498.db2.gz SMIIHMWTLWUIAO-LAUBAEHRSA-N 1 3 370.541 2.823 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 ZINC000293818759 512091541 /nfs/dbraw/zinc/09/15/41/512091541.db2.gz RYYJUPMPBUYWBB-SFHVURJKSA-N 1 3 374.529 2.712 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1=CCN(C)CC1 ZINC000371575962 512473822 /nfs/dbraw/zinc/47/38/22/512473822.db2.gz SHYNQIAMPFVMBG-RBUKOAKNSA-N 1 3 362.562 2.790 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](C)[C@H](N)c2ccccc2)cc1 ZINC000367593380 512575811 /nfs/dbraw/zinc/57/58/11/512575811.db2.gz JTZSDRLIAZHUFK-ZEWNOJEFSA-N 1 3 367.493 2.593 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000373932611 512577897 /nfs/dbraw/zinc/57/78/97/512577897.db2.gz ILOTZTOIDIUFBJ-NHCUHLMSSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000373932611 512577900 /nfs/dbraw/zinc/57/79/00/512577900.db2.gz ILOTZTOIDIUFBJ-NHCUHLMSSA-N 1 3 370.541 2.885 20 0 FFADHO CCN1CCC(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000378087367 512583511 /nfs/dbraw/zinc/58/35/11/512583511.db2.gz AKHBBNCSKFCOIZ-VQTJNVASSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000378087367 512583519 /nfs/dbraw/zinc/58/35/19/512583519.db2.gz AKHBBNCSKFCOIZ-VQTJNVASSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000378087368 512583882 /nfs/dbraw/zinc/58/38/82/512583882.db2.gz AKHBBNCSKFCOIZ-WOJBJXKFSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000378087368 512583885 /nfs/dbraw/zinc/58/38/85/512583885.db2.gz AKHBBNCSKFCOIZ-WOJBJXKFSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000367625782 512591106 /nfs/dbraw/zinc/59/11/06/512591106.db2.gz YYANAACYUMQCRH-IWCQGFGOSA-N 1 3 366.889 2.607 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000367625782 512591111 /nfs/dbraw/zinc/59/11/11/512591111.db2.gz YYANAACYUMQCRH-IWCQGFGOSA-N 1 3 366.889 2.607 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000367625782 512591115 /nfs/dbraw/zinc/59/11/15/512591115.db2.gz YYANAACYUMQCRH-IWCQGFGOSA-N 1 3 366.889 2.607 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000369773943 512602568 /nfs/dbraw/zinc/60/25/68/512602568.db2.gz FZTXQWQSCXOGMT-RTWAWAEBSA-N 1 3 373.541 2.513 20 0 FFADHO NC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000371870884 512612358 /nfs/dbraw/zinc/61/23/58/512612358.db2.gz UZSBRMXJERSCHX-NHCUHLMSSA-N 1 3 351.494 2.585 20 0 FFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000378191428 512631337 /nfs/dbraw/zinc/63/13/37/512631337.db2.gz PLBOGXIYRYLOAJ-VOBGVNJCSA-N 1 3 359.489 2.909 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2cccn2C2CC[NH2+]CC2)N(C)C)cc1 ZINC000378209820 512639795 /nfs/dbraw/zinc/63/97/95/512639795.db2.gz UDJVUVZYZAGTQN-HXUWFJFHSA-N 1 3 354.498 2.754 20 0 FFADHO OC[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC000367904313 512716228 /nfs/dbraw/zinc/71/62/28/512716228.db2.gz QEENIVAXDOGIED-KJJMTIBFSA-N 1 3 351.494 2.943 20 0 FFADHO OC[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC000367904313 512716233 /nfs/dbraw/zinc/71/62/33/512716233.db2.gz QEENIVAXDOGIED-KJJMTIBFSA-N 1 3 351.494 2.943 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000411716621 512777427 /nfs/dbraw/zinc/77/74/27/512777427.db2.gz FRALDMUIHLUUKN-SFTDATJTSA-N 1 3 373.541 2.703 20 0 FFADHO CN(c1ccc(NC(=O)C23CCCN2CCC3)cc1)C1CC[NH+](C)CC1 ZINC000368110635 512806606 /nfs/dbraw/zinc/80/66/06/512806606.db2.gz CXNVZOFIZJKALD-UHFFFAOYSA-N 1 3 356.514 2.784 20 0 FFADHO CSc1ccc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000372329981 512819012 /nfs/dbraw/zinc/81/90/12/512819012.db2.gz FBXUHUKGQKBLPN-YLJYHZDGSA-N 1 3 363.571 2.745 20 0 FFADHO CSc1ccc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000372329981 512819016 /nfs/dbraw/zinc/81/90/16/512819016.db2.gz FBXUHUKGQKBLPN-YLJYHZDGSA-N 1 3 363.571 2.745 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412056441 512934646 /nfs/dbraw/zinc/93/46/46/512934646.db2.gz STFJGPQRRNGXMS-NUJGCVRESA-N 1 3 353.576 2.583 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccn1C1CC[NH2+]CC1 ZINC000368507634 512980954 /nfs/dbraw/zinc/98/09/54/512980954.db2.gz ITDOZRJXQCJECN-OAQYLSRUSA-N 1 3 366.509 2.980 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000417635225 513127624 /nfs/dbraw/zinc/12/76/24/513127624.db2.gz WGQIBLNFRCQHQH-GDAAHCPNSA-N 1 3 358.530 2.803 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417668913 513151132 /nfs/dbraw/zinc/15/11/32/513151132.db2.gz LGKRUAGLNMLCSO-HKBOAZHASA-N 1 3 370.541 2.682 20 0 FFADHO CCc1cc(N2CCN(c3ccccc3OCCN(C)C)CC2)cc[nH+]1 ZINC000450346048 513152569 /nfs/dbraw/zinc/15/25/69/513152569.db2.gz MNDXXCIRFFDDHI-UHFFFAOYSA-N 1 3 354.498 2.911 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000417688270 513162926 /nfs/dbraw/zinc/16/29/26/513162926.db2.gz ITSHRYODWNNCAC-UWJYYQICSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417691000 513164288 /nfs/dbraw/zinc/16/42/88/513164288.db2.gz WEIAKGLDSSEAHI-MNEFBYGVSA-N 1 3 358.530 2.591 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000433900662 513180160 /nfs/dbraw/zinc/18/01/60/513180160.db2.gz IZJVORRXXWXUFZ-RTBURBONSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417742633 513190150 /nfs/dbraw/zinc/19/01/50/513190150.db2.gz WHPWVYXEAFPPOI-HLLBOEOZSA-N 1 3 352.548 2.948 20 0 FFADHO [NH3+]CC[C@@H](NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)C(F)F ZINC000415309831 513197732 /nfs/dbraw/zinc/19/77/32/513197732.db2.gz NOHJFEILHKFQSA-MRXNPFEDSA-N 1 3 370.444 2.655 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417821630 513221825 /nfs/dbraw/zinc/22/18/25/513221825.db2.gz ISYSGPXDSWUYNR-UYAOXDASSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000417827275 513224823 /nfs/dbraw/zinc/22/48/23/513224823.db2.gz DDCPRKTZIMTKHS-PIKOESSRSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000417843014 513233512 /nfs/dbraw/zinc/23/35/12/513233512.db2.gz QBJZIMDNVRHZEB-AHRSYUTCSA-N 1 3 358.530 2.856 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(N4CCCC4)nc3)CC2)CC1 ZINC000421371362 513240861 /nfs/dbraw/zinc/24/08/61/513240861.db2.gz JRTKSXWPYGRCFM-UHFFFAOYSA-N 1 3 371.573 2.674 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4c(C)cccn34)CC2)CC1 ZINC000421381923 513241663 /nfs/dbraw/zinc/24/16/63/513241663.db2.gz XMMYYZUEXMOBFH-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4c(C)cccn34)CC2)CC1 ZINC000421381923 513241669 /nfs/dbraw/zinc/24/16/69/513241669.db2.gz XMMYYZUEXMOBFH-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4c(C)cccn34)CC2)CC1 ZINC000421381923 513241674 /nfs/dbraw/zinc/24/16/74/513241674.db2.gz XMMYYZUEXMOBFH-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO C[C@@H](NC(=O)NCCCNCc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417991363 513321191 /nfs/dbraw/zinc/32/11/91/513321191.db2.gz LJXXGDJXUUHFRE-MJGOQNOKSA-N 1 3 373.545 2.514 20 0 FFADHO C[C@@H](NC(=O)NCCCNCc1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417991363 513321198 /nfs/dbraw/zinc/32/11/98/513321198.db2.gz LJXXGDJXUUHFRE-MJGOQNOKSA-N 1 3 373.545 2.514 20 0 FFADHO CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000446832173 513346729 /nfs/dbraw/zinc/34/67/29/513346729.db2.gz MUQTYCRTRTYLMD-JIOGEWOUSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@@]1(CNC(=O)NCCC2=CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000418042976 513350843 /nfs/dbraw/zinc/35/08/43/513350843.db2.gz MOIHNYHNMMHJDX-NRFANRHFSA-N 1 3 356.514 2.650 20 0 FFADHO N[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000418113096 513375651 /nfs/dbraw/zinc/37/56/51/513375651.db2.gz ZOOCNZFQIDBUOZ-AZUAARDMSA-N 1 3 352.482 2.508 20 0 FFADHO N[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000418113096 513375656 /nfs/dbraw/zinc/37/56/56/513375656.db2.gz ZOOCNZFQIDBUOZ-AZUAARDMSA-N 1 3 352.482 2.508 20 0 FFADHO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000447055267 513387322 /nfs/dbraw/zinc/38/73/22/513387322.db2.gz SONUNMGQZUUDLC-UHFFFAOYSA-N 1 3 362.562 2.768 20 0 FFADHO C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418152428 513393056 /nfs/dbraw/zinc/39/30/56/513393056.db2.gz HHUAYUYCDPXUMM-DZFGPLHGSA-N 1 3 366.509 2.643 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418154565 513394428 /nfs/dbraw/zinc/39/44/28/513394428.db2.gz JWDZFLZMMIRKCY-OTWHNJEPSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418153782 513394878 /nfs/dbraw/zinc/39/48/78/513394878.db2.gz JDHUPDRJIJALFE-GHTZIAJQSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418159948 513398522 /nfs/dbraw/zinc/39/85/22/513398522.db2.gz RRHSMALDKKXEGF-SCTDSRPQSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418159948 513398527 /nfs/dbraw/zinc/39/85/27/513398527.db2.gz RRHSMALDKKXEGF-SCTDSRPQSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H](c1ccccc1)N(C)C ZINC000418178486 513407099 /nfs/dbraw/zinc/40/70/99/513407099.db2.gz IXKRKZARMMQWOI-LEAZDLGRSA-N 1 3 358.530 2.709 20 0 FFADHO C[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000418184202 513409871 /nfs/dbraw/zinc/40/98/71/513409871.db2.gz POYKMOAGODHJEG-MJGOQNOKSA-N 1 3 358.530 2.853 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418185715 513411902 /nfs/dbraw/zinc/41/19/02/513411902.db2.gz RFNHMZWINFQNDU-QGZVFWFLSA-N 1 3 352.910 2.774 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418215675 513425257 /nfs/dbraw/zinc/42/52/57/513425257.db2.gz YSHYWGAFAGZRLV-AYBZRNKSSA-N 1 3 362.518 2.503 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(CC)CC)cc1 ZINC000418218651 513426482 /nfs/dbraw/zinc/42/64/82/513426482.db2.gz RFALWHTXSPLBNI-NJYVYQBISA-N 1 3 372.557 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)N(CC)CC)cc1 ZINC000418217506 513426752 /nfs/dbraw/zinc/42/67/52/513426752.db2.gz PFHUOKFLJXYTNN-AHRSYUTCSA-N 1 3 360.546 2.929 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000418230148 513431814 /nfs/dbraw/zinc/43/18/14/513431814.db2.gz DREPHNHTXBRNBX-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000418230148 513431819 /nfs/dbraw/zinc/43/18/19/513431819.db2.gz DREPHNHTXBRNBX-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000418238106 513437001 /nfs/dbraw/zinc/43/70/01/513437001.db2.gz WWEUZSODJVYLOX-FUHWJXTLSA-N 1 3 364.559 2.843 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418241094 513438668 /nfs/dbraw/zinc/43/86/68/513438668.db2.gz SJFHUESILTXEIX-SFHVURJKSA-N 1 3 350.551 2.672 20 0 FFADHO CC1(C)CN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000418246702 513440131 /nfs/dbraw/zinc/44/01/31/513440131.db2.gz UHCWDOCJBVTDNW-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC1(C)CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000418246702 513440137 /nfs/dbraw/zinc/44/01/37/513440137.db2.gz UHCWDOCJBVTDNW-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Cl)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000421824114 513446316 /nfs/dbraw/zinc/44/63/16/513446316.db2.gz HDBBLKDTWDRHDS-HIFRSBDPSA-N 1 3 355.885 2.587 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Cl)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000421824114 513446322 /nfs/dbraw/zinc/44/63/22/513446322.db2.gz HDBBLKDTWDRHDS-HIFRSBDPSA-N 1 3 355.885 2.587 20 0 FFADHO CCN(C(=O)NCCC[NH2+]C1CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418282280 513450880 /nfs/dbraw/zinc/45/08/80/513450880.db2.gz GVHVRFXBYSUPBJ-PXNSSMCTSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[NH2+]C1CC1 ZINC000418305779 513457748 /nfs/dbraw/zinc/45/77/48/513457748.db2.gz ZROOYHVTQXTGCK-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000418313660 513459174 /nfs/dbraw/zinc/45/91/74/513459174.db2.gz RCDQMZRXMUKKMI-BJLQDIEVSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000441011498 513459484 /nfs/dbraw/zinc/45/94/84/513459484.db2.gz KGLHTCHMAHGVTF-RTBURBONSA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000441011498 513459489 /nfs/dbraw/zinc/45/94/89/513459489.db2.gz KGLHTCHMAHGVTF-RTBURBONSA-N 1 3 362.562 2.959 20 0 FFADHO C[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000418314951 513460951 /nfs/dbraw/zinc/46/09/51/513460951.db2.gz TYWSKXOEGPIZPC-VMXMFDLUSA-N 1 3 370.541 2.538 20 0 FFADHO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000447390307 513463754 /nfs/dbraw/zinc/46/37/54/513463754.db2.gz FZJMVERLUORWBC-PZJWPPBQSA-N 1 3 361.530 2.687 20 0 FFADHO CCC[C@]1(COC)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000447390307 513463763 /nfs/dbraw/zinc/46/37/63/513463763.db2.gz FZJMVERLUORWBC-PZJWPPBQSA-N 1 3 361.530 2.687 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000418326905 513465557 /nfs/dbraw/zinc/46/55/57/513465557.db2.gz LSFCGMYXDUSVTJ-FXAWDEMLSA-N 1 3 358.530 2.937 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000415913416 513474794 /nfs/dbraw/zinc/47/47/94/513474794.db2.gz BKSOJYPBNKLOFI-UHFFFAOYSA-N 1 3 369.469 2.554 20 0 FFADHO C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418349135 513476908 /nfs/dbraw/zinc/47/69/08/513476908.db2.gz RTSANNSZPLZKQN-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418352759 513478415 /nfs/dbraw/zinc/47/84/15/513478415.db2.gz CGSKRPPFWLNYFC-IBGZPJMESA-N 1 3 364.509 2.807 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc(OCC[NH3+])cc2)N(C)C)cc1 ZINC000415932710 513485414 /nfs/dbraw/zinc/48/54/14/513485414.db2.gz DTAIZLIWKIIIRP-LJQANCHMSA-N 1 3 356.470 2.757 20 0 FFADHO C[NH2+]C[C@H](C)CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418385418 513491937 /nfs/dbraw/zinc/49/19/37/513491937.db2.gz KPFBYQOEAJWOGZ-AWEZNQCLSA-N 1 3 374.451 2.634 20 0 FFADHO CC1(C)CN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418396186 513494525 /nfs/dbraw/zinc/49/45/25/513494525.db2.gz ZKGRGXPMLFLGEA-WOJBJXKFSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418399189 513495927 /nfs/dbraw/zinc/49/59/27/513495927.db2.gz DKBIVZTVBRBSQH-FUHWJXTLSA-N 1 3 366.937 2.931 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000415956988 513498725 /nfs/dbraw/zinc/49/87/25/513498725.db2.gz SLRWQPFOVBMTRA-IUODEOHRSA-N 1 3 356.392 2.722 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000415974793 513511676 /nfs/dbraw/zinc/51/16/76/513511676.db2.gz RKOKXIWVLULSQM-IAGOWNOFSA-N 1 3 374.529 2.759 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3)CC[N@@H+](C2CCC2)C1 ZINC000415979640 513515378 /nfs/dbraw/zinc/51/53/78/513515378.db2.gz XEJJJPMHEZQDGS-AWEZNQCLSA-N 1 3 360.477 2.810 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3)CC[N@H+](C2CCC2)C1 ZINC000415979640 513515384 /nfs/dbraw/zinc/51/53/84/513515384.db2.gz XEJJJPMHEZQDGS-AWEZNQCLSA-N 1 3 360.477 2.810 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ncccc1CN)Cc1ccccc1 ZINC000415985962 513517640 /nfs/dbraw/zinc/51/76/40/513517640.db2.gz AIYFUIUSKQSEES-GOSISDBHSA-N 1 3 355.486 2.615 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ncccc1CN)Cc1ccccc1 ZINC000415985963 513517707 /nfs/dbraw/zinc/51/77/07/513517707.db2.gz AIYFUIUSKQSEES-SFHVURJKSA-N 1 3 355.486 2.615 20 0 FFADHO [NH3+]CC[C@H](NC(=O)NCc1ccccc1CN1CCCCC1)C(F)(F)F ZINC000415989378 513519204 /nfs/dbraw/zinc/51/92/04/513519204.db2.gz AFNMTTWISDYJMZ-INIZCTEOSA-N 1 3 372.435 2.751 20 0 FFADHO CN(c1ccccc1CN1CCC[C@@H](n2ccnn2)C1)C1CC[NH+](C)CC1 ZINC000425344234 513519722 /nfs/dbraw/zinc/51/97/22/513519722.db2.gz CALXYPWHVQJOHD-HXUWFJFHSA-N 1 3 368.529 2.646 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418477269 513526323 /nfs/dbraw/zinc/52/63/23/513526323.db2.gz XRWJJFLLVJGZHJ-QGZVFWFLSA-N 1 3 354.926 2.931 20 0 FFADHO COc1ccccc1-n1nccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000430008066 513526370 /nfs/dbraw/zinc/52/63/70/513526370.db2.gz SLBOKIRBJLCOGH-ROUUACIJSA-N 1 3 372.513 2.860 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000430030846 513532091 /nfs/dbraw/zinc/53/20/91/513532091.db2.gz WLDSZQIZLWFRQM-PZJWPPBQSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000430030846 513532097 /nfs/dbraw/zinc/53/20/97/513532097.db2.gz WLDSZQIZLWFRQM-PZJWPPBQSA-N 1 3 358.530 2.825 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2ccccc2c1 ZINC000418503818 513536072 /nfs/dbraw/zinc/53/60/72/513536072.db2.gz ZNIDQLMJJIVIHR-NMLBUPMWSA-N 1 3 352.482 2.527 20 0 FFADHO CCCN(C(=O)NCC1([NH3+])CCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418518234 513541960 /nfs/dbraw/zinc/54/19/60/513541960.db2.gz KYUZMJKJZGBUOZ-IBGZPJMESA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418535395 513547121 /nfs/dbraw/zinc/54/71/21/513547121.db2.gz HFYNMTSFRIKFHC-RXVVDRJESA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418535393 513547367 /nfs/dbraw/zinc/54/73/67/513547367.db2.gz HFYNMTSFRIKFHC-GHTZIAJQSA-N 1 3 358.530 2.540 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418555579 513555184 /nfs/dbraw/zinc/55/51/84/513555184.db2.gz PGZAPXJEOKXBGA-UYAOXDASSA-N 1 3 358.530 2.990 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000441378601 513556472 /nfs/dbraw/zinc/55/64/72/513556472.db2.gz DSJAIWQPVFWRLM-BMFAXAFESA-N 1 3 350.551 2.811 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N(C)C ZINC000416054963 513559164 /nfs/dbraw/zinc/55/91/64/513559164.db2.gz XFBKJHLCOUOGSX-SNPRPXQTSA-N 1 3 360.424 2.565 20 0 FFADHO CCSc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000435375076 513568769 /nfs/dbraw/zinc/56/87/69/513568769.db2.gz ZIENSQVOSQYMCN-HKUYNNGSSA-N 1 3 361.555 2.879 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418636672 513585893 /nfs/dbraw/zinc/58/58/93/513585893.db2.gz IWTWGOSDIXQSKO-MRXNPFEDSA-N 1 3 352.548 2.600 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000422179555 513620989 /nfs/dbraw/zinc/62/09/89/513620989.db2.gz DUUGISOUTFCNGY-GGPKGHCWSA-N 1 3 372.557 2.879 20 0 FFADHO CN1CC[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000416176035 513623237 /nfs/dbraw/zinc/62/32/37/513623237.db2.gz CPJNUURKTDOYQO-GMAHTHKFSA-N 1 3 363.505 2.996 20 0 FFADHO CN1CC[C@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000416176035 513623245 /nfs/dbraw/zinc/62/32/45/513623245.db2.gz CPJNUURKTDOYQO-GMAHTHKFSA-N 1 3 363.505 2.996 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416177040 513625011 /nfs/dbraw/zinc/62/50/11/513625011.db2.gz KXCVGGFSIYHPBY-NRFANRHFSA-N 1 3 369.509 2.975 20 0 FFADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416184268 513631459 /nfs/dbraw/zinc/63/14/59/513631459.db2.gz NLRJIEWUHLHONK-FCHUYYIVSA-N 1 3 363.505 2.649 20 0 FFADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416184268 513631466 /nfs/dbraw/zinc/63/14/66/513631466.db2.gz NLRJIEWUHLHONK-FCHUYYIVSA-N 1 3 363.505 2.649 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000418761383 513645786 /nfs/dbraw/zinc/64/57/86/513645786.db2.gz FUPRRYNJCRVCGB-DLBZAZTESA-N 1 3 352.910 2.774 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418774133 513650825 /nfs/dbraw/zinc/65/08/25/513650825.db2.gz RFPBMGVFLBVYSR-RBBKRZOGSA-N 1 3 370.541 2.826 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418802326 513662700 /nfs/dbraw/zinc/66/27/00/513662700.db2.gz VUQAGVAQMFZLLR-KZNAEPCWSA-N 1 3 364.578 2.917 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)[C@@H]2C1 ZINC000425635432 513671580 /nfs/dbraw/zinc/67/15/80/513671580.db2.gz FDGPQNAVBUJOGS-LEWJYISDSA-N 1 3 370.541 2.908 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)N1CCc2ccccc2C1 ZINC000425654845 513682234 /nfs/dbraw/zinc/68/22/34/513682234.db2.gz QQABMAZCGQDFSM-PCCBWWKXSA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)N1CCc2ccccc2C1 ZINC000425654845 513682241 /nfs/dbraw/zinc/68/22/41/513682241.db2.gz QQABMAZCGQDFSM-PCCBWWKXSA-N 1 3 370.541 2.559 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000435782755 513683377 /nfs/dbraw/zinc/68/33/77/513683377.db2.gz SSEBPFCHLKURNJ-LJQANCHMSA-N 1 3 367.541 2.965 20 0 FFADHO COc1cc(NC(=O)CCN2CCC[C@@H]([C@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000430555237 513686817 /nfs/dbraw/zinc/68/68/17/513686817.db2.gz HVIGNIINMLQKGN-QWHCGFSZSA-N 1 3 369.893 2.745 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448209754 513707810 /nfs/dbraw/zinc/70/78/10/513707810.db2.gz UGICKQSXFIWHLP-MOPGFXCFSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448209754 513707812 /nfs/dbraw/zinc/70/78/12/513707812.db2.gz UGICKQSXFIWHLP-MOPGFXCFSA-N 1 3 352.567 2.918 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000448247707 513717392 /nfs/dbraw/zinc/71/73/92/513717392.db2.gz GFOVIRZKBOSBJT-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000430716760 513731739 /nfs/dbraw/zinc/73/17/39/513731739.db2.gz DVSNUIXWDICFQC-GOSISDBHSA-N 1 3 358.486 2.582 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451417523 513737664 /nfs/dbraw/zinc/73/76/64/513737664.db2.gz HRZWQFUXCLLHRE-XHCJJCCMSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451417523 513737666 /nfs/dbraw/zinc/73/76/66/513737666.db2.gz HRZWQFUXCLLHRE-XHCJJCCMSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451417523 513737675 /nfs/dbraw/zinc/73/76/75/513737675.db2.gz HRZWQFUXCLLHRE-XHCJJCCMSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451417523 513737678 /nfs/dbraw/zinc/73/76/78/513737678.db2.gz HRZWQFUXCLLHRE-XHCJJCCMSA-N 1 3 350.547 2.627 20 0 FFADHO CC[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000430761624 513743468 /nfs/dbraw/zinc/74/34/68/513743468.db2.gz KMPZABNLQGLCMQ-NHCUHLMSSA-N 1 3 351.494 2.682 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)[C@H](C)C1 ZINC000442795778 513783061 /nfs/dbraw/zinc/78/30/61/513783061.db2.gz CKOSAUUAVCITEF-XLIONFOSSA-N 1 3 359.514 2.650 20 0 FFADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1(C)C ZINC000451494825 513787862 /nfs/dbraw/zinc/78/78/62/513787862.db2.gz JFSCQGIYGSSEMF-GBESFXJTSA-N 1 3 361.530 2.587 20 0 FFADHO c1c(CNCCCOCCOCc2ccccc2)onc1C1CC[NH2+]CC1 ZINC000425895468 513791148 /nfs/dbraw/zinc/79/11/48/513791148.db2.gz JCVFXYSTMOUBKY-UHFFFAOYSA-N 1 3 373.497 2.855 20 0 FFADHO COc1ccc(CCN2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451534779 513816031 /nfs/dbraw/zinc/81/60/31/513816031.db2.gz NQMOVTHJYARVCN-NRFANRHFSA-N 1 3 373.541 2.504 20 0 FFADHO COc1ccc(CCN2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451534779 513816036 /nfs/dbraw/zinc/81/60/36/513816036.db2.gz NQMOVTHJYARVCN-NRFANRHFSA-N 1 3 373.541 2.504 20 0 FFADHO COc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c(OC)c1OC ZINC000422709558 513908871 /nfs/dbraw/zinc/90/88/71/513908871.db2.gz ZKBMEDNJQJCDTR-CYBMUJFWSA-N 1 3 359.470 2.768 20 0 FFADHO CN1CCN(Cc2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422712871 513909559 /nfs/dbraw/zinc/90/95/59/513909559.db2.gz OTJFKCIFBWNMRF-FCHUYYIVSA-N 1 3 350.510 2.668 20 0 FFADHO Fc1ccc(CN2CCC(N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422721492 513912591 /nfs/dbraw/zinc/91/25/91/513912591.db2.gz OAGBGFLTKFOPOK-PWRODBHTSA-N 1 3 361.505 2.537 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422746553 513920993 /nfs/dbraw/zinc/92/09/93/513920993.db2.gz WWFIAEQMHFROIO-UBLGTCEWSA-N 1 3 360.521 2.901 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422763594 513925114 /nfs/dbraw/zinc/92/51/14/513925114.db2.gz OWYFIYTXXSRTTN-MTNREXPMSA-N 1 3 371.500 2.747 20 0 FFADHO COc1cccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422768623 513927473 /nfs/dbraw/zinc/92/74/73/513927473.db2.gz UGUHBRFMNMTBKA-YSFYHYPLSA-N 1 3 373.541 2.579 20 0 FFADHO c1cc(C[NH+]2CCCCCC2)ccc1CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422777879 513928570 /nfs/dbraw/zinc/92/85/70/513928570.db2.gz GNDWTKGHYXFSKG-VXKWHMMOSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000422773743 513929041 /nfs/dbraw/zinc/92/90/41/513929041.db2.gz UXFAYOSHXHMDQG-XMSQKQJNSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000422773743 513929044 /nfs/dbraw/zinc/92/90/44/513929044.db2.gz UXFAYOSHXHMDQG-XMSQKQJNSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787916 513932133 /nfs/dbraw/zinc/93/21/33/513932133.db2.gz MKCUYYLIPCEOPJ-FMKPAKJESA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787916 513932137 /nfs/dbraw/zinc/93/21/37/513932137.db2.gz MKCUYYLIPCEOPJ-FMKPAKJESA-N 1 3 360.420 2.714 20 0 FFADHO c1ccc2c(c1)CCN(CCN[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422799871 513936364 /nfs/dbraw/zinc/93/63/64/513936364.db2.gz ADRFNMHQZNRBTA-GMAHTHKFSA-N 1 3 363.505 2.890 20 0 FFADHO Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422830402 513944731 /nfs/dbraw/zinc/94/47/31/513944731.db2.gz QZERACWZUPJMTN-CBPXPLCBSA-N 1 3 357.542 2.879 20 0 FFADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422832656 513946439 /nfs/dbraw/zinc/94/64/39/513946439.db2.gz LILVIECMWIKSPP-OAGGEKHMSA-N 1 3 356.436 3.413 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000422862032 513955077 /nfs/dbraw/zinc/95/50/77/513955077.db2.gz NEKXPHBQKDJCJS-IIBYNOLFSA-N 1 3 369.484 2.978 20 0 FFADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422862259 513957133 /nfs/dbraw/zinc/95/71/33/513957133.db2.gz POCXQYJHQBHLPB-RCCFBDPRSA-N 1 3 362.514 2.728 20 0 FFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422870049 513958645 /nfs/dbraw/zinc/95/86/45/513958645.db2.gz YGYWOHPCTCIIPR-NCXUSEDFSA-N 1 3 351.560 2.878 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC[NH2+]CC1 ZINC000416778415 513962776 /nfs/dbraw/zinc/96/27/76/513962776.db2.gz AKQVPYUFHMNJPQ-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422883090 513963144 /nfs/dbraw/zinc/96/31/44/513963144.db2.gz UMCHMUOSXPGNBW-OWCLPIDISA-N 1 3 370.440 2.586 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416780960 513964125 /nfs/dbraw/zinc/96/41/25/513964125.db2.gz DDTFTFHKYRWYID-NRFANRHFSA-N 1 3 366.509 2.994 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901399 513969935 /nfs/dbraw/zinc/96/99/35/513969935.db2.gz BYIFBQKTMLTLCV-CZANMRCUSA-N 1 3 369.912 2.785 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422901399 513969939 /nfs/dbraw/zinc/96/99/39/513969939.db2.gz BYIFBQKTMLTLCV-CZANMRCUSA-N 1 3 369.912 2.785 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431699362 513972752 /nfs/dbraw/zinc/97/27/52/513972752.db2.gz QJFJHEPOQSVRGC-LMNJBCLMSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431699362 513972758 /nfs/dbraw/zinc/97/27/58/513972758.db2.gz QJFJHEPOQSVRGC-LMNJBCLMSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]([NH3+])C[C@H](C)NCCC(=O)N(C)Cc1ccccc1Br ZINC000422912884 513973294 /nfs/dbraw/zinc/97/32/94/513973294.db2.gz XFUURRVJYVIULQ-OLZOCXBDSA-N 1 3 356.308 2.513 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCNCC[C@H]3C)CC2)cs1 ZINC000422915998 513974916 /nfs/dbraw/zinc/97/49/16/513974916.db2.gz ZODZPRISHVEYCU-QAPCUYQASA-N 1 3 350.576 2.895 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000416829181 513987345 /nfs/dbraw/zinc/98/73/45/513987345.db2.gz FLWMUCXNZBKMSS-UXHICEINSA-N 1 3 372.557 2.579 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)N(C)C)cc1 ZINC000416831790 513988236 /nfs/dbraw/zinc/98/82/36/513988236.db2.gz BGRGFVSYCWUBFX-HKBOAZHASA-N 1 3 372.557 2.883 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCCCC2)N2CCCC2)cc1 ZINC000416833954 513990104 /nfs/dbraw/zinc/99/01/04/513990104.db2.gz XOTAHRJNCPGESC-LJQANCHMSA-N 1 3 374.529 2.793 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416841259 513995408 /nfs/dbraw/zinc/99/54/08/513995408.db2.gz LWCVLKFBOKVCSF-ACRUOGEOSA-N 1 3 372.557 2.723 20 0 FFADHO O[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)C1 ZINC000422977368 513996517 /nfs/dbraw/zinc/99/65/17/513996517.db2.gz JWODZWIIFCXDEC-YSFYHYPLSA-N 1 3 357.542 2.524 20 0 FFADHO O[C@]1(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CCN(Cc2ccccc2)C1 ZINC000422980761 513997029 /nfs/dbraw/zinc/99/70/29/513997029.db2.gz QYWQRFPWGPESAJ-ZLNRFVROSA-N 1 3 365.521 2.706 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000416847575 513999851 /nfs/dbraw/zinc/99/98/51/513999851.db2.gz VJZMTBXCEHBTCX-IBGZPJMESA-N 1 3 358.530 2.855 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422992278 514002317 /nfs/dbraw/zinc/00/23/17/514002317.db2.gz RBNJKVBIBWLPJI-UAGQMJEPSA-N 1 3 360.420 2.986 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414188804 514004001 /nfs/dbraw/zinc/00/40/01/514004001.db2.gz JHIWRIXKVXVCIS-SFTDATJTSA-N 1 3 357.542 2.709 20 0 FFADHO CCOc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414197553 514007660 /nfs/dbraw/zinc/00/76/60/514007660.db2.gz PKNSYSYOJICWMY-SFHVURJKSA-N 1 3 361.530 2.533 20 0 FFADHO CSc1ccccc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414202769 514010020 /nfs/dbraw/zinc/01/00/20/514010020.db2.gz UTUPFLPDWKORPC-KRWDZBQOSA-N 1 3 363.571 2.856 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000423023448 514010584 /nfs/dbraw/zinc/01/05/84/514010584.db2.gz HLBVIEMEFDOCPK-CRAIPNDOSA-N 1 3 354.502 2.557 20 0 FFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423028142 514012058 /nfs/dbraw/zinc/01/20/58/514012058.db2.gz QEGQNUBKZMFPRK-YPAWHYETSA-N 1 3 372.557 2.786 20 0 FFADHO CN(CCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000416872996 514016381 /nfs/dbraw/zinc/01/63/81/514016381.db2.gz MUKMZVWUVOZYKC-HXUWFJFHSA-N 1 3 372.557 2.928 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2c(Cl)cccc2OC)CC[NH2+]CC1 ZINC000423068294 514025344 /nfs/dbraw/zinc/02/53/44/514025344.db2.gz JLVHULWAPWOSQT-ZDUSSCGKSA-N 1 3 354.878 2.760 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416901586 514035588 /nfs/dbraw/zinc/03/55/88/514035588.db2.gz AJZXQYMGYKPEPN-QUCCMNQESA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414293548 514036260 /nfs/dbraw/zinc/03/62/60/514036260.db2.gz BNJUCFMRMXFUSB-KRWDZBQOSA-N 1 3 362.514 2.723 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000431911565 514037056 /nfs/dbraw/zinc/03/70/56/514037056.db2.gz FMVSLFCGTWLZFV-QGZVFWFLSA-N 1 3 371.529 2.572 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000423147515 514060208 /nfs/dbraw/zinc/06/02/08/514060208.db2.gz CQALLDKOJDWLLU-WIYYLYMNSA-N 1 3 358.530 2.717 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431995917 514061011 /nfs/dbraw/zinc/06/10/11/514061011.db2.gz QLXBLDIEMUWROW-RRFJBIMHSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431995917 514061015 /nfs/dbraw/zinc/06/10/15/514061015.db2.gz QLXBLDIEMUWROW-RRFJBIMHSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000420277445 514068791 /nfs/dbraw/zinc/06/87/91/514068791.db2.gz UAMJKCWBSDOGAK-IUODEOHRSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000420277445 514068793 /nfs/dbraw/zinc/06/87/93/514068793.db2.gz UAMJKCWBSDOGAK-IUODEOHRSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC000416966948 514072304 /nfs/dbraw/zinc/07/23/04/514072304.db2.gz GAWAZSOLWQIBOZ-FGTMMUONSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC000416966948 514072305 /nfs/dbraw/zinc/07/23/05/514072305.db2.gz GAWAZSOLWQIBOZ-FGTMMUONSA-N 1 3 358.530 2.810 20 0 FFADHO COCCN1CCC[C@H]1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449115972 514078522 /nfs/dbraw/zinc/07/85/22/514078522.db2.gz JLKDSTCTBBUBMW-KNQAVFIVSA-N 1 3 359.558 2.782 20 0 FFADHO COCCN1CCC[C@H]1CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449115972 514078523 /nfs/dbraw/zinc/07/85/23/514078523.db2.gz JLKDSTCTBBUBMW-KNQAVFIVSA-N 1 3 359.558 2.782 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]21 ZINC000420302039 514080195 /nfs/dbraw/zinc/08/01/95/514080195.db2.gz FRDDAWUEWAELST-ZFKCKOODSA-N 1 3 363.452 2.515 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449133648 514086078 /nfs/dbraw/zinc/08/60/78/514086078.db2.gz ZFRMXJGHZWDTEL-CQSZACIVSA-N 1 3 372.326 2.951 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132934 514086341 /nfs/dbraw/zinc/08/63/41/514086341.db2.gz WJVYGQFRCQAKTH-IRXDYDNUSA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132934 514086347 /nfs/dbraw/zinc/08/63/47/514086347.db2.gz WJVYGQFRCQAKTH-IRXDYDNUSA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132934 514086353 /nfs/dbraw/zinc/08/63/53/514086353.db2.gz WJVYGQFRCQAKTH-IRXDYDNUSA-N 1 3 352.544 2.904 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000416998084 514103445 /nfs/dbraw/zinc/10/34/45/514103445.db2.gz ATMMGOKETPXSAA-HLLBOEOZSA-N 1 3 352.548 2.818 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427060053 514103893 /nfs/dbraw/zinc/10/38/93/514103893.db2.gz DKUDKZVMCOOZKJ-UHFFFAOYSA-N 1 3 361.530 2.795 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)c1ccsc1 ZINC000416999182 514105165 /nfs/dbraw/zinc/10/51/65/514105165.db2.gz BQFAKDQMYKENLS-RDJZCZTQSA-N 1 3 352.548 2.772 20 0 FFADHO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000423340941 514114249 /nfs/dbraw/zinc/11/42/49/514114249.db2.gz WBRQGJAWVPOXLF-FQEVSTJZSA-N 1 3 359.514 2.880 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000417011986 514117068 /nfs/dbraw/zinc/11/70/68/514117068.db2.gz UTRGZFNKVKWURZ-DLBZAZTESA-N 1 3 350.532 2.667 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccsc1 ZINC000417012940 514117985 /nfs/dbraw/zinc/11/79/85/514117985.db2.gz YCFDAKJVDLTUEX-BFYDXBDKSA-N 1 3 352.548 2.900 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417012402 514118084 /nfs/dbraw/zinc/11/80/84/514118084.db2.gz AIJNQZDJEXEAMT-LEWJYISDSA-N 1 3 370.541 2.855 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423394345 514128508 /nfs/dbraw/zinc/12/85/08/514128508.db2.gz RHRDULSTXKQDBV-CQSZACIVSA-N 1 3 367.449 2.583 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)CNC3)c1 ZINC000423394345 514128514 /nfs/dbraw/zinc/12/85/14/514128514.db2.gz RHRDULSTXKQDBV-CQSZACIVSA-N 1 3 367.449 2.583 20 0 FFADHO C[C@H]1CCN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000420395937 514129397 /nfs/dbraw/zinc/12/93/97/514129397.db2.gz DTVHEAAVGIBECP-STQMWFEESA-N 1 3 354.292 2.694 20 0 FFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000423400223 514129685 /nfs/dbraw/zinc/12/96/85/514129685.db2.gz WVVGDWCVXHNACY-BXUZGUMPSA-N 1 3 367.362 2.775 20 0 FFADHO Cc1cc2c(cc1C)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423401954 514130172 /nfs/dbraw/zinc/13/01/72/514130172.db2.gz XVDNOJDBQGXHMG-SJLPKXTDSA-N 1 3 371.447 2.943 20 0 FFADHO CCCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000417031988 514132136 /nfs/dbraw/zinc/13/21/36/514132136.db2.gz QKWXZFPDJOBPSF-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccccc2C(F)(F)F)(N2CCOCC2)CC1 ZINC000414484648 514145979 /nfs/dbraw/zinc/14/59/79/514145979.db2.gz OJHLFIFYEXFZFX-UHFFFAOYSA-N 1 3 371.447 2.592 20 0 FFADHO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000423471620 514148376 /nfs/dbraw/zinc/14/83/76/514148376.db2.gz MPRRLEBPDQNAOW-XPKDYRNWSA-N 1 3 373.950 2.806 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423498200 514152830 /nfs/dbraw/zinc/15/28/30/514152830.db2.gz HSZKOLXAUXFXNU-DNVCBOLYSA-N 1 3 361.511 2.726 20 0 FFADHO CCOc1cccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000414532138 514167214 /nfs/dbraw/zinc/16/72/14/514167214.db2.gz ANLLBIZYGOZRNP-UHFFFAOYSA-N 1 3 355.482 2.597 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(N)CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000423581405 514174925 /nfs/dbraw/zinc/17/49/25/514174925.db2.gz ZBCFOMIWBXIYPS-IHPCNDPISA-N 1 3 373.541 2.547 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000452168526 514225706 /nfs/dbraw/zinc/22/57/06/514225706.db2.gz DSWLOOIDLVSSTL-QUCCMNQESA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000452168526 514225709 /nfs/dbraw/zinc/22/57/09/514225709.db2.gz DSWLOOIDLVSSTL-QUCCMNQESA-N 1 3 355.526 2.841 20 0 FFADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(CCCc3cnccc3C)C2)CC1 ZINC000449509431 514233367 /nfs/dbraw/zinc/23/33/67/514233367.db2.gz WGOYDKDNSMHPME-NRFANRHFSA-N 1 3 372.557 2.589 20 0 FFADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(CCCc3cnccc3C)C2)CC1 ZINC000449509431 514233379 /nfs/dbraw/zinc/23/33/79/514233379.db2.gz WGOYDKDNSMHPME-NRFANRHFSA-N 1 3 372.557 2.589 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000414680946 514238931 /nfs/dbraw/zinc/23/89/31/514238931.db2.gz VHEGMIIKXZTXCL-OAHLLOKOSA-N 1 3 369.431 2.867 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000414680946 514238934 /nfs/dbraw/zinc/23/89/34/514238934.db2.gz VHEGMIIKXZTXCL-OAHLLOKOSA-N 1 3 369.431 2.867 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C34CCC[NH+]3CCC4)c(C)c2)CC1 ZINC000414729709 514261094 /nfs/dbraw/zinc/26/10/94/514261094.db2.gz RCWPSMDZVXMOJG-UHFFFAOYSA-N 1 3 356.514 2.704 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423849712 514261523 /nfs/dbraw/zinc/26/15/23/514261523.db2.gz OVPLHEXOPCIRLK-QUCCMNQESA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423849712 514261531 /nfs/dbraw/zinc/26/15/31/514261531.db2.gz OVPLHEXOPCIRLK-QUCCMNQESA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]1CCN[C@H](C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423849709 514262466 /nfs/dbraw/zinc/26/24/66/514262466.db2.gz OVPLHEXOPCIRLK-ICSRJNTNSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]1CCN[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423849709 514262469 /nfs/dbraw/zinc/26/24/69/514262469.db2.gz OVPLHEXOPCIRLK-ICSRJNTNSA-N 1 3 355.526 2.889 20 0 FFADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000414755728 514275755 /nfs/dbraw/zinc/27/57/55/514275755.db2.gz PNGSTNRBYCKXQA-KBXCAEBGSA-N 1 3 351.441 2.689 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417302471 514284614 /nfs/dbraw/zinc/28/46/14/514284614.db2.gz WIHDUACKFSAGSV-IUODEOHRSA-N 1 3 360.424 2.735 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(CC[NH3+])CCc2ccccc2)N(C)C)cc1 ZINC000417314174 514290472 /nfs/dbraw/zinc/29/04/72/514290472.db2.gz QUPYMRBAHXBHAB-NRFANRHFSA-N 1 3 368.525 2.811 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414792281 514296061 /nfs/dbraw/zinc/29/60/61/514296061.db2.gz CBBXOVMAWIVREP-SIXWZSSISA-N 1 3 372.513 2.859 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414792281 514296066 /nfs/dbraw/zinc/29/60/66/514296066.db2.gz CBBXOVMAWIVREP-SIXWZSSISA-N 1 3 372.513 2.859 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417355673 514309039 /nfs/dbraw/zinc/30/90/39/514309039.db2.gz BAYICETVMJGMQM-OAHLLOKOSA-N 1 3 352.548 2.777 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414829156 514314265 /nfs/dbraw/zinc/31/42/65/514314265.db2.gz NFBGCTPGXHXLQI-QWHCGFSZSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414829156 514314274 /nfs/dbraw/zinc/31/42/74/514314274.db2.gz NFBGCTPGXHXLQI-QWHCGFSZSA-N 1 3 354.292 2.755 20 0 FFADHO [NH3+]CCC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000423973628 514317484 /nfs/dbraw/zinc/31/74/84/514317484.db2.gz QZYHLWJIYDXJMO-LJQANCHMSA-N 1 3 359.514 2.618 20 0 FFADHO CCOCCOc1ccc(Br)cc1CNCC[C@H]1CC[NH2+]C1 ZINC000414835972 514317601 /nfs/dbraw/zinc/31/76/01/514317601.db2.gz SISNSHDUQCYNPK-CQSZACIVSA-N 1 3 371.319 2.954 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000420827203 514323117 /nfs/dbraw/zinc/32/31/17/514323117.db2.gz BTXMMPKYZWCXGL-PMACEKPBSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000420827203 514323121 /nfs/dbraw/zinc/32/31/21/514323121.db2.gz BTXMMPKYZWCXGL-PMACEKPBSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000414874412 514334719 /nfs/dbraw/zinc/33/47/19/514334719.db2.gz AYLVYENJWOYZOC-UHFFFAOYSA-N 1 3 360.502 2.625 20 0 FFADHO CCC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 ZINC000438271886 514342768 /nfs/dbraw/zinc/34/27/68/514342768.db2.gz DMNRVGPWEQSJBQ-UHFFFAOYSA-N 1 3 362.518 2.931 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000414893712 514345321 /nfs/dbraw/zinc/34/53/21/514345321.db2.gz YRWVUQDSVCMYLS-VQTJNVASSA-N 1 3 368.481 2.586 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000420894449 514359333 /nfs/dbraw/zinc/35/93/33/514359333.db2.gz ROJZCFHHVCZFMV-OTBHMBEGSA-N 1 3 358.530 2.821 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438345468 514361404 /nfs/dbraw/zinc/36/14/04/514361404.db2.gz MRKDKZGXQUNWIP-YSIASYRMSA-N 1 3 362.562 2.909 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438345468 514361410 /nfs/dbraw/zinc/36/14/10/514361410.db2.gz MRKDKZGXQUNWIP-YSIASYRMSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414936253 514363391 /nfs/dbraw/zinc/36/33/91/514363391.db2.gz GRWUTXLDSPYHPL-YWPYICTPSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414936253 514363396 /nfs/dbraw/zinc/36/33/96/514363396.db2.gz GRWUTXLDSPYHPL-YWPYICTPSA-N 1 3 354.292 2.754 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(-c3ccccc3)o2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414981826 514386109 /nfs/dbraw/zinc/38/61/09/514386109.db2.gz CGGFAIFVPHINBV-NQIIRXRSSA-N 1 3 353.466 2.683 20 0 FFADHO Brc1cc2c(cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1)OCO2 ZINC000415003715 514398008 /nfs/dbraw/zinc/39/80/08/514398008.db2.gz GMGMAIAUCRCVEV-GXTWGEPZSA-N 1 3 353.260 2.656 20 0 FFADHO [NH3+]C1CCN(CCCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC1 ZINC000433174931 514405785 /nfs/dbraw/zinc/40/57/85/514405785.db2.gz OKTFVZDMEYKHEF-GOSISDBHSA-N 1 3 371.485 2.556 20 0 FFADHO CC[NH+]1CCC(N2CCCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC2)CC1 ZINC000420981666 514419463 /nfs/dbraw/zinc/41/94/63/514419463.db2.gz NIZAGURRTLQNFI-IBGZPJMESA-N 1 3 366.594 2.512 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC2)CC1 ZINC000420981666 514419464 /nfs/dbraw/zinc/41/94/64/514419464.db2.gz NIZAGURRTLQNFI-IBGZPJMESA-N 1 3 366.594 2.512 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC2)CC1 ZINC000420981666 514419465 /nfs/dbraw/zinc/41/94/65/514419465.db2.gz NIZAGURRTLQNFI-IBGZPJMESA-N 1 3 366.594 2.512 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415066547 514426061 /nfs/dbraw/zinc/42/60/61/514426061.db2.gz JGIPNOUXFGEKRR-UHFFFAOYSA-N 1 3 374.554 2.709 20 0 FFADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415071432 514428491 /nfs/dbraw/zinc/42/84/91/514428491.db2.gz TYGVETPFPPKHDI-QGZVFWFLSA-N 1 3 364.559 2.773 20 0 FFADHO [NH3+]C1CCC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000415071657 514428612 /nfs/dbraw/zinc/42/86/12/514428612.db2.gz UBFZMARYLXKHRF-UHFFFAOYSA-N 1 3 362.543 2.669 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417604191 514432817 /nfs/dbraw/zinc/43/28/17/514432817.db2.gz BFLJGWORMYAMKF-UHFFFAOYSA-N 1 3 356.580 2.555 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445223163 514445233 /nfs/dbraw/zinc/44/52/33/514445233.db2.gz LQKYWQXYOMNPCV-GOSISDBHSA-N 1 3 352.567 2.776 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445223163 514445241 /nfs/dbraw/zinc/44/52/41/514445241.db2.gz LQKYWQXYOMNPCV-GOSISDBHSA-N 1 3 352.567 2.776 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)N(C)[C@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424300535 514450702 /nfs/dbraw/zinc/45/07/02/514450702.db2.gz WPKQCMAYDWDXPY-XLIONFOSSA-N 1 3 355.526 2.986 20 0 FFADHO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H](CN)c1ccc(F)cc1 ZINC000424306041 514451735 /nfs/dbraw/zinc/45/17/35/514451735.db2.gz UFSJTFAKRGLESK-IBGZPJMESA-N 1 3 357.473 2.837 20 0 FFADHO C[N@H+](Cc1ccccc1N1CCOCC1)C[C@H](CN)c1ccc(F)cc1 ZINC000424306041 514451742 /nfs/dbraw/zinc/45/17/42/514451742.db2.gz UFSJTFAKRGLESK-IBGZPJMESA-N 1 3 357.473 2.837 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000439156104 514501912 /nfs/dbraw/zinc/50/19/12/514501912.db2.gz QFKBTQDTXHTZMX-NWSQWKLXSA-N 1 3 369.553 2.765 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000439156104 514501915 /nfs/dbraw/zinc/50/19/15/514501915.db2.gz QFKBTQDTXHTZMX-NWSQWKLXSA-N 1 3 369.553 2.765 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000439180593 514505315 /nfs/dbraw/zinc/50/53/15/514505315.db2.gz SGQKHHICZHGSAQ-QRVBRYPASA-N 1 3 350.551 2.909 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000439180593 514505321 /nfs/dbraw/zinc/50/53/21/514505321.db2.gz SGQKHHICZHGSAQ-QRVBRYPASA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000455425125 514514236 /nfs/dbraw/zinc/51/42/36/514514236.db2.gz DJGYTJPJXHCKHK-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000455425125 514514245 /nfs/dbraw/zinc/51/42/45/514514245.db2.gz DJGYTJPJXHCKHK-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000455425123 514514571 /nfs/dbraw/zinc/51/45/71/514514571.db2.gz DJGYTJPJXHCKHK-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000455425123 514514576 /nfs/dbraw/zinc/51/45/76/514514576.db2.gz DJGYTJPJXHCKHK-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO COc1ccc2c(c1)C[C@H](NCc1ccccc1OCC[NH+](C)C)CO2 ZINC000453077051 514537226 /nfs/dbraw/zinc/53/72/26/514537226.db2.gz AJOIMHHQLOQTOT-SFHVURJKSA-N 1 3 356.466 2.729 20 0 FFADHO O[C@H](CN[C@H](Cc1ccccc1Br)C1CC1)C[NH+]1CCCC1 ZINC000453090714 514540702 /nfs/dbraw/zinc/54/07/02/514540702.db2.gz KVTCEBULTMFNFH-SJLPKXTDSA-N 1 3 367.331 2.817 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000466040238 514545797 /nfs/dbraw/zinc/54/57/97/514545797.db2.gz UIRVMPGHIWYCEC-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[N@H+]1C ZINC000466040238 514545802 /nfs/dbraw/zinc/54/58/02/514545802.db2.gz UIRVMPGHIWYCEC-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO COCC[C@@H]1CCCC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475131221 514567062 /nfs/dbraw/zinc/56/70/62/514567062.db2.gz YYXLBRMARAMCAD-AZUAARDMSA-N 1 3 361.530 2.544 20 0 FFADHO COCC[C@@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475131221 514567067 /nfs/dbraw/zinc/56/70/67/514567067.db2.gz YYXLBRMARAMCAD-AZUAARDMSA-N 1 3 361.530 2.544 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NCC3(N4CCOCC4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453210088 514570548 /nfs/dbraw/zinc/57/05/48/514570548.db2.gz LUFGGUKEHZJGGT-FDFHNCONSA-N 1 3 369.553 2.884 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NCC3(N4CCOCC4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453210088 514570553 /nfs/dbraw/zinc/57/05/53/514570553.db2.gz LUFGGUKEHZJGGT-FDFHNCONSA-N 1 3 369.553 2.884 20 0 FFADHO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(C)C ZINC000453274758 514586389 /nfs/dbraw/zinc/58/63/89/514586389.db2.gz DEARMKOPTUBCHH-MHTWAQMVSA-N 1 3 357.542 2.990 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453300619 514593421 /nfs/dbraw/zinc/59/34/21/514593421.db2.gz YYZAYGGZJUERIE-AFXVXQJMSA-N 1 3 371.569 2.866 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000475269219 514597000 /nfs/dbraw/zinc/59/70/00/514597000.db2.gz MSYIARVQZZIACN-PKOBYXMFSA-N 1 3 360.546 2.879 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453375144 514613741 /nfs/dbraw/zinc/61/37/41/514613741.db2.gz ZVJYKTRIMWXYLB-USWKJHDZSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453375144 514613752 /nfs/dbraw/zinc/61/37/52/514613752.db2.gz ZVJYKTRIMWXYLB-USWKJHDZSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453375144 514613761 /nfs/dbraw/zinc/61/37/61/514613761.db2.gz ZVJYKTRIMWXYLB-USWKJHDZSA-N 1 3 369.553 2.740 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000479541683 514623167 /nfs/dbraw/zinc/62/31/67/514623167.db2.gz LFYRURWWBIJUIX-HKUYNNGSSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000479541683 514623188 /nfs/dbraw/zinc/62/31/88/514623188.db2.gz LFYRURWWBIJUIX-HKUYNNGSSA-N 1 3 362.562 2.909 20 0 FFADHO CN1CC[C@@]2(CCN(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)C2)C1 ZINC000488954450 514649166 /nfs/dbraw/zinc/64/91/66/514649166.db2.gz ZRBYHEJHJDIACT-TZIWHRDSSA-N 1 3 362.562 2.768 20 0 FFADHO CN1CC[C@@]2(CCN(C(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)C2)C1 ZINC000488954450 514649173 /nfs/dbraw/zinc/64/91/73/514649173.db2.gz ZRBYHEJHJDIACT-TZIWHRDSSA-N 1 3 362.562 2.768 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470896671 514662033 /nfs/dbraw/zinc/66/20/33/514662033.db2.gz HKGWONVOZJUTQI-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470896671 514662042 /nfs/dbraw/zinc/66/20/42/514662042.db2.gz HKGWONVOZJUTQI-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000466498556 514664438 /nfs/dbraw/zinc/66/44/38/514664438.db2.gz FCOTYXCHTMVZRK-JZXOWHBKSA-N 1 3 350.551 2.669 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000466498556 514664453 /nfs/dbraw/zinc/66/44/53/514664453.db2.gz FCOTYXCHTMVZRK-JZXOWHBKSA-N 1 3 350.551 2.669 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466513460 514670110 /nfs/dbraw/zinc/67/01/10/514670110.db2.gz IFZJKBQEAICSMO-AZUAARDMSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466513460 514670117 /nfs/dbraw/zinc/67/01/17/514670117.db2.gz IFZJKBQEAICSMO-AZUAARDMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000466525476 514676197 /nfs/dbraw/zinc/67/61/97/514676197.db2.gz IMRSIEUZQFVOJI-ZHALLVOQSA-N 1 3 360.546 2.925 20 0 FFADHO COc1ccc(CCC(=O)N2CCCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000479698846 514691626 /nfs/dbraw/zinc/69/16/26/514691626.db2.gz FNJSNKYJWRMMFF-UHFFFAOYSA-N 1 3 373.541 2.552 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)C1 ZINC000489080117 514700184 /nfs/dbraw/zinc/70/01/84/514700184.db2.gz SWQSCQQSTXSWPA-XLAORIBOSA-N 1 3 352.567 2.725 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475546219 514711408 /nfs/dbraw/zinc/71/14/08/514711408.db2.gz DGUCXIFGAJEOPI-IBGZPJMESA-N 1 3 363.571 2.794 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000489133446 514723068 /nfs/dbraw/zinc/72/30/68/514723068.db2.gz NFIBSZPVNPCBFM-NCXUSEDFSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000489133446 514723077 /nfs/dbraw/zinc/72/30/77/514723077.db2.gz NFIBSZPVNPCBFM-NCXUSEDFSA-N 1 3 350.551 2.623 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000461789214 514739319 /nfs/dbraw/zinc/73/93/19/514739319.db2.gz LNBUADJPVLRVNU-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000461789214 514739330 /nfs/dbraw/zinc/73/93/30/514739330.db2.gz LNBUADJPVLRVNU-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C(F)F)CCCCC3)CC2)CC1 ZINC000489183447 514743243 /nfs/dbraw/zinc/74/32/43/514743243.db2.gz ILNKJJKTJKIWEK-UHFFFAOYSA-N 1 3 372.504 2.812 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000498060815 514743967 /nfs/dbraw/zinc/74/39/67/514743967.db2.gz FDMOEVGJJAQXMF-MOPGFXCFSA-N 1 3 361.505 2.886 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000498060815 514743973 /nfs/dbraw/zinc/74/39/73/514743973.db2.gz FDMOEVGJJAQXMF-MOPGFXCFSA-N 1 3 361.505 2.886 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000502725514 514753099 /nfs/dbraw/zinc/75/30/99/514753099.db2.gz XJNVVTVEHJYJNZ-SFHVURJKSA-N 1 3 363.546 2.560 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000484745657 514779003 /nfs/dbraw/zinc/77/90/03/514779003.db2.gz PBSJFMSPLAQCNY-LAUBAEHRSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000466922949 514827493 /nfs/dbraw/zinc/82/74/93/514827493.db2.gz GSSCHVGGPBFSAP-LXZJYRNTSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000466922949 514827508 /nfs/dbraw/zinc/82/75/08/514827508.db2.gz GSSCHVGGPBFSAP-LXZJYRNTSA-N 1 3 362.562 2.765 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(F)cc1 ZINC000502895223 514831716 /nfs/dbraw/zinc/83/17/16/514831716.db2.gz GNNYEQXFQGUNEE-MOPGFXCFSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(F)cc1 ZINC000502895223 514831724 /nfs/dbraw/zinc/83/17/24/514831724.db2.gz GNNYEQXFQGUNEE-MOPGFXCFSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(F)cc1 ZINC000502895224 514832106 /nfs/dbraw/zinc/83/21/06/514832106.db2.gz GNNYEQXFQGUNEE-OALUTQOASA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(F)cc1 ZINC000502895224 514832118 /nfs/dbraw/zinc/83/21/18/514832118.db2.gz GNNYEQXFQGUNEE-OALUTQOASA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)[C@]1(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCSC1 ZINC000455944744 514854336 /nfs/dbraw/zinc/85/43/36/514854336.db2.gz VWJSRFOWLPCDTD-MJGOQNOKSA-N 1 3 362.543 2.794 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508700583 514867681 /nfs/dbraw/zinc/86/76/81/514867681.db2.gz RAQPCAKBDVLAJM-HJNYFJLDSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@H](CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508700583 514867692 /nfs/dbraw/zinc/86/76/92/514867692.db2.gz RAQPCAKBDVLAJM-HJNYFJLDSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@H](CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508700583 514867701 /nfs/dbraw/zinc/86/77/01/514867701.db2.gz RAQPCAKBDVLAJM-HJNYFJLDSA-N 1 3 359.558 2.843 20 0 FFADHO C[C@@H]([NH2+]CCNC(=O)c1cccs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508710667 514870318 /nfs/dbraw/zinc/87/03/18/514870318.db2.gz NGLMJHLDCWBLJO-AEFFLSMTSA-N 1 3 357.523 2.978 20 0 FFADHO C[C@@H](NCCNC(=O)c1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508710667 514870331 /nfs/dbraw/zinc/87/03/31/514870331.db2.gz NGLMJHLDCWBLJO-AEFFLSMTSA-N 1 3 357.523 2.978 20 0 FFADHO C[C@@H](NCCNC(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508710667 514870342 /nfs/dbraw/zinc/87/03/42/514870342.db2.gz NGLMJHLDCWBLJO-AEFFLSMTSA-N 1 3 357.523 2.978 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@H]1c1ccccc1 ZINC000458566652 514906950 /nfs/dbraw/zinc/90/69/50/514906950.db2.gz BYUHPDRAKHNWMU-ZVDOUQERSA-N 1 3 356.514 2.559 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[C@H]1c1ccccc1 ZINC000458566652 514906965 /nfs/dbraw/zinc/90/69/65/514906965.db2.gz BYUHPDRAKHNWMU-ZVDOUQERSA-N 1 3 356.514 2.559 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000458574016 514915121 /nfs/dbraw/zinc/91/51/21/514915121.db2.gz NNFCFPZZVWHKAR-UHFFFAOYSA-N 1 3 366.575 2.942 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000503197286 514953884 /nfs/dbraw/zinc/95/38/84/514953884.db2.gz ISOCRFQYLIHBLG-OALUTQOASA-N 1 3 371.525 2.965 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN1CCCC1 ZINC000489854952 515000701 /nfs/dbraw/zinc/00/07/01/515000701.db2.gz HVEGRCDCBSIRIL-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN1CCCC1 ZINC000489854952 515000708 /nfs/dbraw/zinc/00/07/08/515000708.db2.gz HVEGRCDCBSIRIL-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000471824973 515022178 /nfs/dbraw/zinc/02/21/78/515022178.db2.gz JBGRMJMNMLCSQV-HXUWFJFHSA-N 1 3 360.546 2.677 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000471850554 515031687 /nfs/dbraw/zinc/03/16/87/515031687.db2.gz ZPKGHYAITFDXRR-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000458732891 515052249 /nfs/dbraw/zinc/05/22/49/515052249.db2.gz HGWAXSIIASNVKJ-UYAOXDASSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000458732891 515052258 /nfs/dbraw/zinc/05/22/58/515052258.db2.gz HGWAXSIIASNVKJ-UYAOXDASSA-N 1 3 370.541 2.634 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000458770124 515078680 /nfs/dbraw/zinc/07/86/80/515078680.db2.gz XRMMSQLYTMHNHQ-SFHVURJKSA-N 1 3 364.534 2.716 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000458770775 515079676 /nfs/dbraw/zinc/07/96/76/515079676.db2.gz HRNALWCBISCEIN-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000458770775 515079689 /nfs/dbraw/zinc/07/96/89/515079689.db2.gz HRNALWCBISCEIN-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000481026689 515178989 /nfs/dbraw/zinc/17/89/89/515178989.db2.gz SFAITHWKNXLYAS-LPHOPBHVSA-N 1 3 362.518 2.668 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2cccc(F)c2)C1 ZINC000472279946 515200623 /nfs/dbraw/zinc/20/06/23/515200623.db2.gz QVFPPMBQGIWDQA-GOSISDBHSA-N 1 3 351.466 2.587 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCCC1(F)F ZINC000458936621 515213266 /nfs/dbraw/zinc/21/32/66/515213266.db2.gz IPBZOXLTKPUXGK-SJORKVTESA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCCC1(F)F ZINC000458936621 515213273 /nfs/dbraw/zinc/21/32/73/515213273.db2.gz IPBZOXLTKPUXGK-SJORKVTESA-N 1 3 374.520 2.869 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccco1 ZINC000509571002 515238477 /nfs/dbraw/zinc/23/84/77/515238477.db2.gz RILDNZOEJMGUHE-WBVHZDCISA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccco1 ZINC000509599139 515251367 /nfs/dbraw/zinc/25/13/67/515251367.db2.gz FVFIKCQEQIRXMI-WMZOPIPTSA-N 1 3 362.518 2.979 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(C)C ZINC000481236823 515256918 /nfs/dbraw/zinc/25/69/18/515256918.db2.gz XYLCTOBPEMUZOV-RNQOJCNYSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N(C)C ZINC000481236823 515256925 /nfs/dbraw/zinc/25/69/25/515256925.db2.gz XYLCTOBPEMUZOV-RNQOJCNYSA-N 1 3 358.530 2.912 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000499316581 515281505 /nfs/dbraw/zinc/28/15/05/515281505.db2.gz OYZQGGHFKCMAOH-ZHALLVOQSA-N 1 3 360.546 2.925 20 0 FFADHO C[N@H+](CCCCNC(=O)NCCCN1CCc2ccccc2C1)C1CC1 ZINC000454251403 515339307 /nfs/dbraw/zinc/33/93/07/515339307.db2.gz PYGIUFZEOLBKMC-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO C[N@@H+](CCCCNC(=O)NCCCN1CCc2ccccc2C1)C1CC1 ZINC000454251403 515339315 /nfs/dbraw/zinc/33/93/15/515339315.db2.gz PYGIUFZEOLBKMC-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000468439085 515358761 /nfs/dbraw/zinc/35/87/61/515358761.db2.gz ODXHSSRSIMXEIJ-ROUUACIJSA-N 1 3 361.530 2.896 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000477183320 515360112 /nfs/dbraw/zinc/36/01/12/515360112.db2.gz UIRXKJZYFQDHMH-UTKZUKDTSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000477183320 515360122 /nfs/dbraw/zinc/36/01/22/515360122.db2.gz UIRXKJZYFQDHMH-UTKZUKDTSA-N 1 3 370.541 2.847 20 0 FFADHO CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000472694531 515367469 /nfs/dbraw/zinc/36/74/69/515367469.db2.gz VJKTZAUEIWOZLJ-UHFFFAOYSA-N 1 3 369.575 2.737 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000491119824 515383019 /nfs/dbraw/zinc/38/30/19/515383019.db2.gz WWYWDBQUWJQOHI-NRFANRHFSA-N 1 3 355.526 2.761 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000491119824 515383030 /nfs/dbraw/zinc/38/30/30/515383030.db2.gz WWYWDBQUWJQOHI-NRFANRHFSA-N 1 3 355.526 2.761 20 0 FFADHO CC[C@]1(C(C)C)C[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454440443 515490385 /nfs/dbraw/zinc/49/03/85/515490385.db2.gz AYZJGOMHSITHRJ-AZUAARDMSA-N 1 3 350.551 2.669 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000454483605 515522388 /nfs/dbraw/zinc/52/23/88/515522388.db2.gz QNIJXXFXTFFXDB-HXUWFJFHSA-N 1 3 360.502 2.577 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000454483605 515522397 /nfs/dbraw/zinc/52/23/97/515522397.db2.gz QNIJXXFXTFFXDB-HXUWFJFHSA-N 1 3 360.502 2.577 20 0 FFADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000510495090 515556727 /nfs/dbraw/zinc/55/67/27/515556727.db2.gz XXZDRRARCOICFO-KRWDZBQOSA-N 1 3 370.541 2.773 20 0 FFADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000510495090 515556739 /nfs/dbraw/zinc/55/67/39/515556739.db2.gz XXZDRRARCOICFO-KRWDZBQOSA-N 1 3 370.541 2.773 20 0 FFADHO C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCN(c4ccncc4)CC3)nc2)C1 ZINC000459458774 515568438 /nfs/dbraw/zinc/56/84/38/515568438.db2.gz YXSQYRBHMKSZLD-HXUWFJFHSA-N 1 3 366.513 2.698 20 0 FFADHO COc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482117436 515580059 /nfs/dbraw/zinc/58/00/59/515580059.db2.gz DEQSQPKHKIAEKK-NRFANRHFSA-N 1 3 366.509 2.879 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000482127210 515581840 /nfs/dbraw/zinc/58/18/40/515581840.db2.gz ZTGPYLOIYMXIPG-GOSISDBHSA-N 1 3 354.498 2.953 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C2CC2)C2CCCC2)[C@@H](C)C1 ZINC000482153806 515589733 /nfs/dbraw/zinc/58/97/33/515589733.db2.gz BZPIKSQUQPWUHY-FXAWDEMLSA-N 1 3 365.562 2.647 20 0 FFADHO COc1ccc2c(c1)nc(CNC1CCN(c3cc[nH+]cc3)CC1)n2C ZINC000459513520 515609197 /nfs/dbraw/zinc/60/91/97/515609197.db2.gz BUZSOBDZJWOWLQ-UHFFFAOYSA-N 1 3 351.454 2.736 20 0 FFADHO OC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccc(F)c(F)c1 ZINC000459527847 515622537 /nfs/dbraw/zinc/62/25/37/515622537.db2.gz QGGDJEZSXHEAAV-INIZCTEOSA-N 1 3 361.436 2.769 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505692333 515635271 /nfs/dbraw/zinc/63/52/71/515635271.db2.gz SQGYWOONUDEFEW-YESZJQIVSA-N 1 3 362.543 2.811 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505692333 515635280 /nfs/dbraw/zinc/63/52/80/515635280.db2.gz SQGYWOONUDEFEW-YESZJQIVSA-N 1 3 362.543 2.811 20 0 FFADHO CCc1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN2CC)s1 ZINC000505801727 515678184 /nfs/dbraw/zinc/67/81/84/515678184.db2.gz LCJNZGGILJCNPW-HNNXBMFYSA-N 1 3 352.548 2.502 20 0 FFADHO CC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1OC(F)F ZINC000482551153 515716005 /nfs/dbraw/zinc/71/60/05/515716005.db2.gz AXBLPZRTTICHDR-GDBMZVCRSA-N 1 3 369.456 2.916 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CC1 ZINC000459648765 515721623 /nfs/dbraw/zinc/72/16/23/515721623.db2.gz CIHCAPOIDGKOGI-TZIWHRDSSA-N 1 3 355.526 2.829 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CC1 ZINC000459648765 515721630 /nfs/dbraw/zinc/72/16/30/515721630.db2.gz CIHCAPOIDGKOGI-TZIWHRDSSA-N 1 3 355.526 2.829 20 0 FFADHO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000457232927 515742738 /nfs/dbraw/zinc/74/27/38/515742738.db2.gz HXBDBKNLHMIYKC-INIZCTEOSA-N 1 3 353.457 2.600 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459762397 515793108 /nfs/dbraw/zinc/79/31/08/515793108.db2.gz BPSBNNRSQWZYAQ-JRGCBEDISA-N 1 3 355.526 2.854 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000469422570 515811074 /nfs/dbraw/zinc/81/10/74/515811074.db2.gz QKPLMXHWPNMJNQ-QUCCMNQESA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000469422570 515811081 /nfs/dbraw/zinc/81/10/81/515811081.db2.gz QKPLMXHWPNMJNQ-QUCCMNQESA-N 1 3 358.530 2.679 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478422952 515818416 /nfs/dbraw/zinc/81/84/16/515818416.db2.gz VACNIIWYXSRXHR-LJQANCHMSA-N 1 3 360.546 2.581 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000494440443 515844430 /nfs/dbraw/zinc/84/44/30/515844430.db2.gz XPFRRAVXQHNELI-YUMYIRISSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000494440443 515844441 /nfs/dbraw/zinc/84/44/41/515844441.db2.gz XPFRRAVXQHNELI-YUMYIRISSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H]1CN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000494440440 515844620 /nfs/dbraw/zinc/84/46/20/515844620.db2.gz XPFRRAVXQHNELI-CIAFKFPVSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H]1CN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000494440440 515844630 /nfs/dbraw/zinc/84/46/30/515844630.db2.gz XPFRRAVXQHNELI-CIAFKFPVSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506399931 515872997 /nfs/dbraw/zinc/87/29/97/515872997.db2.gz FKBCXZBPDTURBZ-YLJYHZDGSA-N 1 3 362.562 2.767 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000457483838 515906972 /nfs/dbraw/zinc/90/69/72/515906972.db2.gz QOEWLGSEGFJWAP-PMACEKPBSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000457483838 515906983 /nfs/dbraw/zinc/90/69/83/515906983.db2.gz QOEWLGSEGFJWAP-PMACEKPBSA-N 1 3 360.546 2.976 20 0 FFADHO C[C@@H]1C[C@H](C)CN(C(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000501038454 515946884 /nfs/dbraw/zinc/94/68/84/515946884.db2.gz JZHKZNVYKHYEGY-HDICACEKSA-N 1 3 358.530 2.734 20 0 FFADHO C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000464927294 516016721 /nfs/dbraw/zinc/01/67/21/516016721.db2.gz RVQXDXXLXRQUQW-WIYYLYMNSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000465000049 516038502 /nfs/dbraw/zinc/03/85/02/516038502.db2.gz ADUCGOPKOIBPCI-UXHICEINSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000465000049 516038506 /nfs/dbraw/zinc/03/85/06/516038506.db2.gz ADUCGOPKOIBPCI-UXHICEINSA-N 1 3 358.530 2.538 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000511900758 516072592 /nfs/dbraw/zinc/07/25/92/516072592.db2.gz JJBPAGDTNXJOQO-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000511900758 516072600 /nfs/dbraw/zinc/07/26/00/516072600.db2.gz JJBPAGDTNXJOQO-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H](CNC(=O)NC1CC[NH+](CC)CC1)N1CCc2ccccc2C1 ZINC000501375970 516081539 /nfs/dbraw/zinc/08/15/39/516081539.db2.gz DDFUNQCCORHJCK-FQEVSTJZSA-N 1 3 358.530 2.607 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000474533113 516085118 /nfs/dbraw/zinc/08/51/18/516085118.db2.gz HIRKHDSOTMXNLP-GHBBCFCZSA-N 1 3 356.514 2.748 20 0 FFADHO NC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000479225785 516115575 /nfs/dbraw/zinc/11/55/75/516115575.db2.gz PWZUOAHXWCPVOM-HXUWFJFHSA-N 1 3 355.457 2.780 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H]1C ZINC000483514462 516116847 /nfs/dbraw/zinc/11/68/47/516116847.db2.gz AYEMQNRHBFQUMB-IHPCNDPISA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H]1C ZINC000483514462 516116854 /nfs/dbraw/zinc/11/68/54/516116854.db2.gz AYEMQNRHBFQUMB-IHPCNDPISA-N 1 3 360.546 2.674 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000501494425 516123690 /nfs/dbraw/zinc/12/36/90/516123690.db2.gz JKLWGUULYQPJAE-YRXWBPOGSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000501494425 516123700 /nfs/dbraw/zinc/12/37/00/516123700.db2.gz JKLWGUULYQPJAE-YRXWBPOGSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000501548534 516147976 /nfs/dbraw/zinc/14/79/76/516147976.db2.gz FHVAOUTZKFEFET-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479351123 516160393 /nfs/dbraw/zinc/16/03/93/516160393.db2.gz OKRFZFIZXIRSBO-WIYYLYMNSA-N 1 3 367.541 2.865 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479351120 516160962 /nfs/dbraw/zinc/16/09/62/516160962.db2.gz OKRFZFIZXIRSBO-GHTZIAJQSA-N 1 3 367.541 2.865 20 0 FFADHO CCN1CCCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483685520 516172986 /nfs/dbraw/zinc/17/29/86/516172986.db2.gz ODAPHDWNQQUXTD-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483685520 516172995 /nfs/dbraw/zinc/17/29/95/516172995.db2.gz ODAPHDWNQQUXTD-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCN1C ZINC000460527940 516180602 /nfs/dbraw/zinc/18/06/02/516180602.db2.gz OYAQSZJMEJYJPK-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCN1C ZINC000460527940 516180612 /nfs/dbraw/zinc/18/06/12/516180612.db2.gz OYAQSZJMEJYJPK-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000507380730 516196988 /nfs/dbraw/zinc/19/69/88/516196988.db2.gz QMLZWQAAMHPWPB-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000507380730 516196995 /nfs/dbraw/zinc/19/69/95/516196995.db2.gz QMLZWQAAMHPWPB-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000460658135 516214424 /nfs/dbraw/zinc/21/44/24/516214424.db2.gz SIECRPCRMPTBDL-GOSISDBHSA-N 1 3 350.551 2.934 20 0 FFADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000474869988 516218748 /nfs/dbraw/zinc/21/87/48/516218748.db2.gz AHPHQKRWPWQACB-NHCUHLMSSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501783560 516221980 /nfs/dbraw/zinc/22/19/80/516221980.db2.gz DFPFBPDUEVAIGM-QUCCMNQESA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501783559 516222133 /nfs/dbraw/zinc/22/21/33/516222133.db2.gz DFPFBPDUEVAIGM-ICSRJNTNSA-N 1 3 358.530 2.997 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)N(C)C)cc1 ZINC000488465132 516231750 /nfs/dbraw/zinc/23/17/50/516231750.db2.gz XGKGIRXVPMHRGI-IHPCNDPISA-N 1 3 358.530 2.866 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)CC1 ZINC000465813785 516265039 /nfs/dbraw/zinc/26/50/39/516265039.db2.gz OMMVDGWGQWMZGH-ZHALLVOQSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[N@@H+]1C ZINC000465825248 516268243 /nfs/dbraw/zinc/26/82/43/516268243.db2.gz CUDYKNYNHVHYNE-ZACQAIPSSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[N@H+]1C ZINC000465825248 516268249 /nfs/dbraw/zinc/26/82/49/516268249.db2.gz CUDYKNYNHVHYNE-ZACQAIPSSA-N 1 3 364.559 2.742 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccco1 ZINC000496649544 516273553 /nfs/dbraw/zinc/27/35/53/516273553.db2.gz IWOXJEDBKWZPAV-GVDBMIGSSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccco1 ZINC000496649544 516273558 /nfs/dbraw/zinc/27/35/58/516273558.db2.gz IWOXJEDBKWZPAV-GVDBMIGSSA-N 1 3 350.507 2.882 20 0 FFADHO CC1CCC(O)(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000512474894 516290846 /nfs/dbraw/zinc/29/08/46/516290846.db2.gz ODBFDYGEYVUNTB-APKLWFBNSA-N 1 3 371.569 2.820 20 0 FFADHO CC1CCC(O)(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000512474894 516290848 /nfs/dbraw/zinc/29/08/48/516290848.db2.gz ODBFDYGEYVUNTB-APKLWFBNSA-N 1 3 371.569 2.820 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3CCc4ccccc4CC3)CC2)CC1 ZINC000528315841 516342268 /nfs/dbraw/zinc/34/22/68/516342268.db2.gz NHUTXYLDMKIMNC-UHFFFAOYSA-N 1 3 369.553 2.856 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC000554255315 516346937 /nfs/dbraw/zinc/34/69/37/516346937.db2.gz SPBDEMXDMZKESF-KRWDZBQOSA-N 1 3 350.482 2.602 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557643108 516354832 /nfs/dbraw/zinc/35/48/32/516354832.db2.gz DUICOSIILWMMMU-UNMCSNQZSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557643108 516354841 /nfs/dbraw/zinc/35/48/41/516354841.db2.gz DUICOSIILWMMMU-UNMCSNQZSA-N 1 3 355.526 2.985 20 0 FFADHO CN1CC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)[C@H]1c1ccccc1 ZINC000557662454 516366232 /nfs/dbraw/zinc/36/62/32/516366232.db2.gz DHAIZOFQELJRIN-SLFFLAALSA-N 1 3 373.566 2.766 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000543762999 516417044 /nfs/dbraw/zinc/41/70/44/516417044.db2.gz STPVMEDZZZXRQC-ZHHKINOHSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000543762999 516417051 /nfs/dbraw/zinc/41/70/51/516417051.db2.gz STPVMEDZZZXRQC-ZHHKINOHSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000543762999 516417056 /nfs/dbraw/zinc/41/70/56/516417056.db2.gz STPVMEDZZZXRQC-ZHHKINOHSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000561186570 516436811 /nfs/dbraw/zinc/43/68/11/516436811.db2.gz WKGINCSNHAMXBS-JPLJXNOCSA-N 1 3 358.530 2.571 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000561194364 516442368 /nfs/dbraw/zinc/44/23/68/516442368.db2.gz DJGQNMZDYHOHCQ-LMNJBCLMSA-N 1 3 358.530 2.586 20 0 FFADHO C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550883299 516466547 /nfs/dbraw/zinc/46/65/47/516466547.db2.gz YEMBMNWOYQICGJ-FPOVZHCZSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@@H](Cn1cccn1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883299 516466558 /nfs/dbraw/zinc/46/65/58/516466558.db2.gz YEMBMNWOYQICGJ-FPOVZHCZSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@@H](Cn1cccn1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883299 516466565 /nfs/dbraw/zinc/46/65/65/516466565.db2.gz YEMBMNWOYQICGJ-FPOVZHCZSA-N 1 3 368.525 2.790 20 0 FFADHO CCNC(=O)c1cccc(C[NH2+][C@H]2CCN(CCCOCC)C[C@H]2C)c1 ZINC000540193022 516468466 /nfs/dbraw/zinc/46/84/66/516468466.db2.gz ZIBYIRKXZYQIBI-XLIONFOSSA-N 1 3 361.530 2.663 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523455162 516475063 /nfs/dbraw/zinc/47/50/63/516475063.db2.gz CWBJABHKJHZOOS-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000540208247 516476759 /nfs/dbraw/zinc/47/67/59/516476759.db2.gz SPJWJCPWHPXVQO-IBGZPJMESA-N 1 3 361.530 2.800 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000540208247 516476767 /nfs/dbraw/zinc/47/67/67/516476767.db2.gz SPJWJCPWHPXVQO-IBGZPJMESA-N 1 3 361.530 2.800 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000544004639 516534301 /nfs/dbraw/zinc/53/43/01/516534301.db2.gz ACIDWYWBBCQNAM-INIZCTEOSA-N 1 3 353.304 2.873 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000536013758 516592048 /nfs/dbraw/zinc/59/20/48/516592048.db2.gz MQHDMWOKVCAZTC-AZUAARDMSA-N 1 3 360.546 2.581 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000523876422 516600342 /nfs/dbraw/zinc/60/03/42/516600342.db2.gz HBWQEYAOYLQCTF-NCXUSEDFSA-N 1 3 352.567 2.772 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2c1ccn2C ZINC000524024197 516629735 /nfs/dbraw/zinc/62/97/35/516629735.db2.gz VIXUPRJDXNSCIL-KRWDZBQOSA-N 1 3 356.514 2.666 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2c1ccn2C ZINC000524024197 516629738 /nfs/dbraw/zinc/62/97/38/516629738.db2.gz VIXUPRJDXNSCIL-KRWDZBQOSA-N 1 3 356.514 2.666 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000518371443 516633409 /nfs/dbraw/zinc/63/34/09/516633409.db2.gz XREJFHMUQQOHLZ-FQEVSTJZSA-N 1 3 358.530 2.910 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000518632011 516728406 /nfs/dbraw/zinc/72/84/06/516728406.db2.gz VKOFZLIGXGTLCY-SFHVURJKSA-N 1 3 360.502 2.719 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000518632011 516728418 /nfs/dbraw/zinc/72/84/18/516728418.db2.gz VKOFZLIGXGTLCY-SFHVURJKSA-N 1 3 360.502 2.719 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528906775 516786831 /nfs/dbraw/zinc/78/68/31/516786831.db2.gz VBECYSFFKVWNIU-QGZVFWFLSA-N 1 3 360.502 2.895 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528906775 516786833 /nfs/dbraw/zinc/78/68/33/516786833.db2.gz VBECYSFFKVWNIU-QGZVFWFLSA-N 1 3 360.502 2.895 20 0 FFADHO C[C@@H](O)[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000536537336 516808847 /nfs/dbraw/zinc/80/88/47/516808847.db2.gz JWZLWMZRCJMBJM-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000536537336 516808854 /nfs/dbraw/zinc/80/88/54/516808854.db2.gz JWZLWMZRCJMBJM-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000536537336 516808864 /nfs/dbraw/zinc/80/88/64/516808864.db2.gz JWZLWMZRCJMBJM-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000536537336 516808874 /nfs/dbraw/zinc/80/88/74/516808874.db2.gz JWZLWMZRCJMBJM-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000532215405 516861218 /nfs/dbraw/zinc/86/12/18/516861218.db2.gz GCEKYNBNTOOLRN-UHFFFAOYSA-N 1 3 374.447 2.995 20 0 FFADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000514114125 516870826 /nfs/dbraw/zinc/87/08/26/516870826.db2.gz CLEWSSMCKTXROP-RTBURBONSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000514114125 516870838 /nfs/dbraw/zinc/87/08/38/516870838.db2.gz CLEWSSMCKTXROP-RTBURBONSA-N 1 3 352.567 2.918 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC000514220486 516910253 /nfs/dbraw/zinc/91/02/53/516910253.db2.gz YBJNZBYTMGJWMT-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1 ZINC000514220486 516910261 /nfs/dbraw/zinc/91/02/61/516910261.db2.gz YBJNZBYTMGJWMT-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514242423 516922003 /nfs/dbraw/zinc/92/20/03/516922003.db2.gz RTHIGUOWAJJANE-QWFCFKBJSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514242423 516922013 /nfs/dbraw/zinc/92/20/13/516922013.db2.gz RTHIGUOWAJJANE-QWFCFKBJSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2ccccc2OCC[NH+](C)C)N(C)C)cc1 ZINC000519286872 516947512 /nfs/dbraw/zinc/94/75/12/516947512.db2.gz IQMBZCRMVYUHNT-FQEVSTJZSA-N 1 3 369.509 2.968 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000558887719 516987706 /nfs/dbraw/zinc/98/77/06/516987706.db2.gz DEZAWWLAHCVVCO-XYPHTWIQSA-N 1 3 352.910 2.725 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000558887719 516987712 /nfs/dbraw/zinc/98/77/12/516987712.db2.gz DEZAWWLAHCVVCO-XYPHTWIQSA-N 1 3 352.910 2.725 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000558899162 516994108 /nfs/dbraw/zinc/99/41/08/516994108.db2.gz WGXDMKKWVMMHMO-QAPCUYQASA-N 1 3 366.937 2.974 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCC1 ZINC000551997328 517017460 /nfs/dbraw/zinc/01/74/60/517017460.db2.gz VOVVEPXVCOMAQY-SJLPKXTDSA-N 1 3 365.468 2.744 20 0 FFADHO O=C1CCCN1CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000532528833 517019884 /nfs/dbraw/zinc/01/98/84/517019884.db2.gz XOHOAVAIWGWRKB-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO O=C1CCCN1CCC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000532528833 517019894 /nfs/dbraw/zinc/01/98/94/517019894.db2.gz XOHOAVAIWGWRKB-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO CC1=CCN(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000545151646 517074204 /nfs/dbraw/zinc/07/42/04/517074204.db2.gz SJDYCSVLXFOCCP-FQEVSTJZSA-N 1 3 356.514 2.775 20 0 FFADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCCN(CCCc2ccccc2)CC1 ZINC000529369305 517108512 /nfs/dbraw/zinc/10/85/12/517108512.db2.gz XSGJMBZPBNVFFW-FQEVSTJZSA-N 1 3 370.541 2.621 20 0 FFADHO C[NH+](C)CC1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCCC1 ZINC000545427807 517233924 /nfs/dbraw/zinc/23/39/24/517233924.db2.gz MNEFSYLKWYWGAT-IBGZPJMESA-N 1 3 358.530 2.532 20 0 FFADHO CC[C@@]1(CO)CCCN1Cc1cncc(C[N@@H+]2CCC[C@@]2(CC)CO)c1 ZINC000562699688 517314869 /nfs/dbraw/zinc/31/48/69/517314869.db2.gz YVMORJRQWCWQND-SFTDATJTSA-N 1 3 361.530 2.555 20 0 FFADHO CC[C@@]1(CO)CCCN1Cc1cncc(C[N@H+]2CCC[C@@]2(CC)CO)c1 ZINC000562699688 517314878 /nfs/dbraw/zinc/31/48/78/517314878.db2.gz YVMORJRQWCWQND-SFTDATJTSA-N 1 3 361.530 2.555 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000515358004 517315885 /nfs/dbraw/zinc/31/58/85/517315885.db2.gz JWDDAFAQUFQOBK-SFHVURJKSA-N 1 3 366.937 2.974 20 0 FFADHO CC[C@@H](C)Oc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000520328475 517347939 /nfs/dbraw/zinc/34/79/39/517347939.db2.gz JTUDBGILZRYCIY-MRXNPFEDSA-N 1 3 350.507 2.821 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467292 517365076 /nfs/dbraw/zinc/36/50/76/517365076.db2.gz XASSEWAEWFKUCD-MJGOQNOKSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467292 517365082 /nfs/dbraw/zinc/36/50/82/517365082.db2.gz XASSEWAEWFKUCD-MJGOQNOKSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467292 517365092 /nfs/dbraw/zinc/36/50/92/517365092.db2.gz XASSEWAEWFKUCD-MJGOQNOKSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000562771029 517383007 /nfs/dbraw/zinc/38/30/07/517383007.db2.gz XCIYDRUMQSPERG-AEFFLSMTSA-N 1 3 359.518 2.530 20 0 FFADHO CCCOc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1OC ZINC000515555955 517403249 /nfs/dbraw/zinc/40/32/49/517403249.db2.gz DHGDCXNLJUZMLY-UHFFFAOYSA-N 1 3 363.546 2.942 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000559766784 517418864 /nfs/dbraw/zinc/41/88/64/517418864.db2.gz KXZNVQKUQXMIIW-FCEUIQTBSA-N 1 3 359.558 2.722 20 0 FFADHO CC1CC[NH+](C[C@H](O)CN[C@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000559766784 517418876 /nfs/dbraw/zinc/41/88/76/517418876.db2.gz KXZNVQKUQXMIIW-FCEUIQTBSA-N 1 3 359.558 2.722 20 0 FFADHO CSc1ccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000545958436 517458918 /nfs/dbraw/zinc/45/89/18/517458918.db2.gz GRNQDQXHKXFVJR-HNNXBMFYSA-N 1 3 352.548 2.604 20 0 FFADHO C/C=C\c1ccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000562987317 517561104 /nfs/dbraw/zinc/56/11/04/517561104.db2.gz XOOLHWCSTSXDEL-LLHWWHOWSA-N 1 3 360.498 2.684 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@]3(CCN(CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000538348842 517579534 /nfs/dbraw/zinc/57/95/34/517579534.db2.gz YMVQDJAWQRNVOZ-XPWALMASSA-N 1 3 369.553 2.838 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000538348842 517579546 /nfs/dbraw/zinc/57/95/46/517579546.db2.gz YMVQDJAWQRNVOZ-XPWALMASSA-N 1 3 369.553 2.838 20 0 FFADHO c1ccc(CN2CCC[C@]3(CC[N@@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000538348842 517579553 /nfs/dbraw/zinc/57/95/53/517579553.db2.gz YMVQDJAWQRNVOZ-XPWALMASSA-N 1 3 369.553 2.838 20 0 FFADHO c1ccc(CN2CCC[C@]3(CC[N@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000538348842 517579567 /nfs/dbraw/zinc/57/95/67/517579567.db2.gz YMVQDJAWQRNVOZ-XPWALMASSA-N 1 3 369.553 2.838 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NCC2=CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000538387002 517598567 /nfs/dbraw/zinc/59/85/67/517598567.db2.gz JZJOYQLXALEPNT-RXVVDRJESA-N 1 3 370.541 2.848 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NCC2=CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000538387002 517598576 /nfs/dbraw/zinc/59/85/76/517598576.db2.gz JZJOYQLXALEPNT-RXVVDRJESA-N 1 3 370.541 2.848 20 0 FFADHO Cc1cc(NC(=O)C2C[NH+](C3CCCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000556722121 517603745 /nfs/dbraw/zinc/60/37/45/517603745.db2.gz WVDJSYIADHDOSC-UHFFFAOYSA-N 1 3 359.518 2.661 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248715 517653694 /nfs/dbraw/zinc/65/36/94/517653694.db2.gz ONFNPEPKCSFDOK-NRFANRHFSA-N 1 3 372.488 2.910 20 0 FFADHO Fc1ccc(-n2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530248992 517654321 /nfs/dbraw/zinc/65/43/21/517654321.db2.gz RYQIITVHQQPVAD-FQEVSTJZSA-N 1 3 358.461 2.602 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cnc21 ZINC000530249087 517654376 /nfs/dbraw/zinc/65/43/76/517654376.db2.gz UCKHCDTUWWLJRD-IBGZPJMESA-N 1 3 357.502 2.603 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000527487386 517704581 /nfs/dbraw/zinc/70/45/81/517704581.db2.gz PAHNLJUFGQSRSX-TUNNFDKTSA-N 1 3 355.526 2.747 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000527487386 517704591 /nfs/dbraw/zinc/70/45/91/517704591.db2.gz PAHNLJUFGQSRSX-TUNNFDKTSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000521371029 517708808 /nfs/dbraw/zinc/70/88/08/517708808.db2.gz ZIYXFSAMJWBHRK-UTKZUKDTSA-N 1 3 357.542 2.786 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553458747 517722617 /nfs/dbraw/zinc/72/26/17/517722617.db2.gz DPDCXWTWDIQOSW-JQVVWYNYSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553458747 517722627 /nfs/dbraw/zinc/72/26/27/517722627.db2.gz DPDCXWTWDIQOSW-JQVVWYNYSA-N 1 3 355.526 2.984 20 0 FFADHO O=C(CNC1CC(c2cc(F)cc(F)c2)C1)NCC[NH+]1CCCCCC1 ZINC000556891386 517733159 /nfs/dbraw/zinc/73/31/59/517733159.db2.gz CYZSIVSBDVQRHX-UHFFFAOYSA-N 1 3 365.468 2.793 20 0 FFADHO CC(C)N(Cc1ccccn1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000534346548 517862713 /nfs/dbraw/zinc/86/27/13/517862713.db2.gz PDSWWQOEACTJAM-UHFFFAOYSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000539062794 517900200 /nfs/dbraw/zinc/90/02/00/517900200.db2.gz DUJHXVTWOISRJJ-NDXORKPFSA-N 1 3 354.498 2.901 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534635896 517975312 /nfs/dbraw/zinc/97/53/12/517975312.db2.gz MHDYQXZKWIMQHD-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534635896 517975320 /nfs/dbraw/zinc/97/53/20/517975320.db2.gz MHDYQXZKWIMQHD-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527893316 517975944 /nfs/dbraw/zinc/97/59/44/517975944.db2.gz NUIKFBCSUSIQOU-FPOVZHCZSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527893316 517975954 /nfs/dbraw/zinc/97/59/54/517975954.db2.gz NUIKFBCSUSIQOU-FPOVZHCZSA-N 1 3 370.541 2.825 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC000522077616 517979436 /nfs/dbraw/zinc/97/94/36/517979436.db2.gz PBDNBVTURYEQML-SFTDATJTSA-N 1 3 372.557 2.818 20 0 FFADHO CN(C)C[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000517042920 517995664 /nfs/dbraw/zinc/99/56/64/517995664.db2.gz CDUSDPZEAHOUPW-GOSISDBHSA-N 1 3 360.889 2.980 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccc3COC)CC2)CC1 ZINC000557491557 518034931 /nfs/dbraw/zinc/03/49/31/518034931.db2.gz PFUOJROXSYBVHG-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000554092714 518058414 /nfs/dbraw/zinc/05/84/14/518058414.db2.gz WTNONLNSABXHAN-ZFMNYDKASA-N 1 3 370.541 2.775 20 0 FFADHO CCN(Cc1ccc(C(=O)N2CCC([NH2+]CCOC)CC2)cc1)C1CC1 ZINC000517243496 518087222 /nfs/dbraw/zinc/08/72/22/518087222.db2.gz NYSQLHKKDGGULT-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000543443814 518094446 /nfs/dbraw/zinc/09/44/46/518094446.db2.gz NSKTWDYNFJOKIZ-LJQANCHMSA-N 1 3 374.573 2.872 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000539600699 518117093 /nfs/dbraw/zinc/11/70/93/518117093.db2.gz MXIIGXVQMBWASA-FQEVSTJZSA-N 1 3 358.530 2.951 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC000563792384 518124736 /nfs/dbraw/zinc/12/47/36/518124736.db2.gz VZXISBXJKGWNRL-UHFFFAOYSA-N 1 3 374.460 2.578 20 0 FFADHO CN(C)C(=O)[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000522548844 518125276 /nfs/dbraw/zinc/12/52/76/518125276.db2.gz NUXVEVFPBZMSEE-OAQYLSRUSA-N 1 3 369.509 2.589 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000517376653 518132889 /nfs/dbraw/zinc/13/28/89/518132889.db2.gz FFXXRKJWRPJRSB-MAODMQOUSA-N 1 3 369.484 2.895 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000517376653 518132895 /nfs/dbraw/zinc/13/28/95/518132895.db2.gz FFXXRKJWRPJRSB-MAODMQOUSA-N 1 3 369.484 2.895 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000517389879 518134886 /nfs/dbraw/zinc/13/48/86/518134886.db2.gz UYZLFZYVHVTSTL-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000539714861 518146939 /nfs/dbraw/zinc/14/69/39/518146939.db2.gz QBXCRDVPQFPODC-INIZCTEOSA-N 1 3 356.470 2.701 20 0 FFADHO [NH3+][C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)CC1CCCCC1 ZINC000581308480 518223490 /nfs/dbraw/zinc/22/34/90/518223490.db2.gz PSQIKHWJVQOGLX-FQEVSTJZSA-N 1 3 365.562 2.635 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000566848690 518231515 /nfs/dbraw/zinc/23/15/15/518231515.db2.gz HGXPSSPORNCWLW-XLIONFOSSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000566848690 518231521 /nfs/dbraw/zinc/23/15/21/518231521.db2.gz HGXPSSPORNCWLW-XLIONFOSSA-N 1 3 360.546 2.925 20 0 FFADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CNCc2ccccc21 ZINC000578503164 518241704 /nfs/dbraw/zinc/24/17/04/518241704.db2.gz KUHKGZZOFCKPQD-IBGZPJMESA-N 1 3 373.566 2.741 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@H](C)O1 ZINC000566895750 518251848 /nfs/dbraw/zinc/25/18/48/518251848.db2.gz YXMSJWOBUWJYOH-YRWFTTLQSA-N 1 3 359.514 2.558 20 0 FFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000566902829 518257451 /nfs/dbraw/zinc/25/74/51/518257451.db2.gz PUCZVWDWPFRCOX-QUCCMNQESA-N 1 3 358.461 2.934 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000581427040 518279865 /nfs/dbraw/zinc/27/98/65/518279865.db2.gz ZJVUMOHAQXAZJE-PMACEKPBSA-N 1 3 374.573 2.506 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C(C)C)N(C)C)C2)s1 ZINC000567116166 518359537 /nfs/dbraw/zinc/35/95/37/518359537.db2.gz RZUQOSYTGFZABK-FUHWJXTLSA-N 1 3 351.560 2.923 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C(C)C)N(C)C)C2)s1 ZINC000567116166 518359543 /nfs/dbraw/zinc/35/95/43/518359543.db2.gz RZUQOSYTGFZABK-FUHWJXTLSA-N 1 3 351.560 2.923 20 0 FFADHO Cc1c(CN(C)CCC(C)CC[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000569935913 518364075 /nfs/dbraw/zinc/36/40/75/518364075.db2.gz IXKLDAOFEACTRW-UHFFFAOYSA-N 1 3 360.550 2.751 20 0 FFADHO Cc1c(CN(C)CCC(C)CC[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000569935913 518364084 /nfs/dbraw/zinc/36/40/84/518364084.db2.gz IXKLDAOFEACTRW-UHFFFAOYSA-N 1 3 360.550 2.751 20 0 FFADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000575970625 518367218 /nfs/dbraw/zinc/36/72/18/518367218.db2.gz GQHUGMNGCILXHS-QFBILLFUSA-N 1 3 374.529 2.950 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)C1 ZINC000584512299 518375729 /nfs/dbraw/zinc/37/57/29/518375729.db2.gz CTWMWALZNUEOPK-QGZVFWFLSA-N 1 3 352.567 2.870 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)C1 ZINC000584512299 518375735 /nfs/dbraw/zinc/37/57/35/518375735.db2.gz CTWMWALZNUEOPK-QGZVFWFLSA-N 1 3 352.567 2.870 20 0 FFADHO [NH3+]CCOCCN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000567167470 518385780 /nfs/dbraw/zinc/38/57/80/518385780.db2.gz WILCQZVFTCSSHK-UHFFFAOYSA-N 1 3 360.285 2.619 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C[C@@]1(C)C[NH3+] ZINC000578849711 518402705 /nfs/dbraw/zinc/40/27/05/518402705.db2.gz LBJJCXDHKQFGOA-WXSAJPJJSA-N 1 3 364.559 2.757 20 0 FFADHO CC1(C)CCN(CC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000567248057 518429558 /nfs/dbraw/zinc/42/95/58/518429558.db2.gz ZPOKJBIEHWCHTP-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO CC1(C)CCN(CC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000567248057 518429560 /nfs/dbraw/zinc/42/95/60/518429560.db2.gz ZPOKJBIEHWCHTP-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000567248056 518429667 /nfs/dbraw/zinc/42/96/67/518429667.db2.gz ZPOKJBIEHWCHTP-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000567248056 518429671 /nfs/dbraw/zinc/42/96/71/518429671.db2.gz ZPOKJBIEHWCHTP-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])c(C)c2)CC1 ZINC000567356034 518482776 /nfs/dbraw/zinc/48/27/76/518482776.db2.gz FJAGVWREXLYIHL-FXAWDEMLSA-N 1 3 373.545 2.871 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc3c(c2F)CCNC3)cc1 ZINC000570184031 518483985 /nfs/dbraw/zinc/48/39/85/518483985.db2.gz LZDQONATYZAFID-UHFFFAOYSA-N 1 3 356.445 2.855 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000576216315 518484621 /nfs/dbraw/zinc/48/46/21/518484621.db2.gz CQSDVFQAYVGIQQ-PMACEKPBSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000576216315 518484627 /nfs/dbraw/zinc/48/46/27/518484627.db2.gz CQSDVFQAYVGIQQ-PMACEKPBSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1(O)CCN(C)CC1 ZINC000567512280 518563534 /nfs/dbraw/zinc/56/35/34/518563534.db2.gz MQHHBCZWDULJKJ-LBPRGKRZSA-N 1 3 359.283 2.566 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000573228928 518567360 /nfs/dbraw/zinc/56/73/60/518567360.db2.gz NJRWLMDNFMILAR-NRFANRHFSA-N 1 3 351.494 2.795 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC000576465752 518605842 /nfs/dbraw/zinc/60/58/42/518605842.db2.gz LDXPKKLVGQGVKN-UHFFFAOYSA-N 1 3 350.466 2.684 20 0 FFADHO Cc1ccc(CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(-c2ccnn2C)c1 ZINC000570465970 518621032 /nfs/dbraw/zinc/62/10/32/518621032.db2.gz XDPCPGYIGQWEMI-FCHUYYIVSA-N 1 3 368.525 2.863 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000567685210 518654520 /nfs/dbraw/zinc/65/45/20/518654520.db2.gz XMGQSJOLVCWNOM-OAGGEKHMSA-N 1 3 371.319 2.651 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000586867179 518668785 /nfs/dbraw/zinc/66/87/85/518668785.db2.gz TZYBTSCLSDISHS-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H](CC[NH3+])C3)c(C)c2)CC1 ZINC000582288768 518680990 /nfs/dbraw/zinc/68/09/90/518680990.db2.gz WDSWHELFKNMDDJ-GOSISDBHSA-N 1 3 373.545 2.730 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000579462945 518693860 /nfs/dbraw/zinc/69/38/60/518693860.db2.gz OJFDGSGYGVPTEQ-SJLPKXTDSA-N 1 3 371.447 2.931 20 0 FFADHO C[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000567779429 518706851 /nfs/dbraw/zinc/70/68/51/518706851.db2.gz UPTMNCZUZMOPCU-UWJYYQICSA-N 1 3 366.509 2.709 20 0 FFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)CNC[C@H]3CCCO3)ccc21 ZINC000567785066 518709889 /nfs/dbraw/zinc/70/98/89/518709889.db2.gz VTDHJVWKUIHHPA-LJQANCHMSA-N 1 3 372.513 2.690 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CC/C=C/c3cncc(OC)c3)CC2)CC1 ZINC000567789902 518711320 /nfs/dbraw/zinc/71/13/20/518711320.db2.gz HMELIQHLHAREPN-QPJJXVBHSA-N 1 3 372.557 2.986 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CC/C=C/c3cncc(OC)c3)CC2)CC1 ZINC000567789902 518711327 /nfs/dbraw/zinc/71/13/27/518711327.db2.gz HMELIQHLHAREPN-QPJJXVBHSA-N 1 3 372.557 2.986 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000573562165 518729133 /nfs/dbraw/zinc/72/91/33/518729133.db2.gz ONRVRAUHBNIISG-HLIPFELVSA-N 1 3 358.530 2.622 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C(C)C)cc1 ZINC000564988367 518732581 /nfs/dbraw/zinc/73/25/81/518732581.db2.gz GBCUOHWYUJWZEY-XQBPLPMBSA-N 1 3 373.541 2.830 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000582438427 518753423 /nfs/dbraw/zinc/75/34/23/518753423.db2.gz NHPLRTJNUNGVSF-OAQYLSRUSA-N 1 3 351.494 2.859 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000570777781 518773535 /nfs/dbraw/zinc/77/35/35/518773535.db2.gz GKMDEJUHXCHCJG-LEWJYISDSA-N 1 3 368.525 2.831 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CC(=O)N(C3CC3)C1)c1ccccc1O2 ZINC000565095482 518783172 /nfs/dbraw/zinc/78/31/72/518783172.db2.gz YWUGORKVUALRDZ-LPHOPBHVSA-N 1 3 369.509 2.575 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000576835890 518788924 /nfs/dbraw/zinc/78/89/24/518788924.db2.gz CHIHDKJTVAEGEG-PMACEKPBSA-N 1 3 355.526 2.699 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000576835890 518788929 /nfs/dbraw/zinc/78/89/29/518788929.db2.gz CHIHDKJTVAEGEG-PMACEKPBSA-N 1 3 355.526 2.699 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000576837371 518788983 /nfs/dbraw/zinc/78/89/83/518788983.db2.gz JGJDMMINXFPSNE-ARFHVFGLSA-N 1 3 355.320 2.768 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@@H](N)C2)cc1Br ZINC000576837371 518788987 /nfs/dbraw/zinc/78/89/87/518788987.db2.gz JGJDMMINXFPSNE-ARFHVFGLSA-N 1 3 355.320 2.768 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000570817090 518796307 /nfs/dbraw/zinc/79/63/07/518796307.db2.gz CNDBANCRRIPVKQ-UHFFFAOYSA-N 1 3 352.548 2.647 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000567947992 518796987 /nfs/dbraw/zinc/79/69/87/518796987.db2.gz DWDQQMZCMKSYFZ-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+](CCCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC1 ZINC000568016189 518833604 /nfs/dbraw/zinc/83/36/04/518833604.db2.gz UXBJKSCNHLANRD-NRFANRHFSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC1 ZINC000568016189 518833609 /nfs/dbraw/zinc/83/36/09/518833609.db2.gz UXBJKSCNHLANRD-NRFANRHFSA-N 1 3 358.530 2.825 20 0 FFADHO CNC[C@](C)(O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000568049960 518849323 /nfs/dbraw/zinc/84/93/23/518849323.db2.gz BEBSKTXHEJOEAH-KRWDZBQOSA-N 1 3 360.420 2.767 20 0 FFADHO C[C@]1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCC[NH2+]C1 ZINC000573904727 518892852 /nfs/dbraw/zinc/89/28/52/518892852.db2.gz PJSYBWOKZHWCNO-YJBOKZPZSA-N 1 3 350.532 2.574 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000577119462 518923228 /nfs/dbraw/zinc/92/32/28/518923228.db2.gz GMSSLXWHPRLWSV-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO O[C@@H](C[NH2+]CCCCN1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000582840151 518947658 /nfs/dbraw/zinc/94/76/58/518947658.db2.gz KAPQZLSFKBXQMP-HSZRJFAPSA-N 1 3 367.537 2.782 20 0 FFADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000565429277 518952330 /nfs/dbraw/zinc/95/23/30/518952330.db2.gz WDDSNUPXSNOCFZ-WHZJULEDSA-N 1 3 352.563 2.875 20 0 FFADHO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000565429277 518952315 /nfs/dbraw/zinc/95/23/15/518952315.db2.gz WDDSNUPXSNOCFZ-WHZJULEDSA-N 1 3 352.563 2.875 20 0 FFADHO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000565429277 518952320 /nfs/dbraw/zinc/95/23/20/518952320.db2.gz WDDSNUPXSNOCFZ-WHZJULEDSA-N 1 3 352.563 2.875 20 0 FFADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000565429277 518952325 /nfs/dbraw/zinc/95/23/25/518952325.db2.gz WDDSNUPXSNOCFZ-WHZJULEDSA-N 1 3 352.563 2.875 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000589213179 518953408 /nfs/dbraw/zinc/95/34/08/518953408.db2.gz PFQIYYMAINWEOQ-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000589213179 518953415 /nfs/dbraw/zinc/95/34/15/518953415.db2.gz PFQIYYMAINWEOQ-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000580088657 519003712 /nfs/dbraw/zinc/00/37/12/519003712.db2.gz RVSHZWRRDBICRZ-RMVXJAJNSA-N 1 3 370.541 2.717 20 0 FFADHO C[N@@H+]1CC[C@](O)(CN[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000580099057 519007345 /nfs/dbraw/zinc/00/73/45/519007345.db2.gz OOAYVXGDSHYXER-IRXDYDNUSA-N 1 3 353.304 2.873 20 0 FFADHO C[N@H+]1CC[C@](O)(CN[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000580099057 519007353 /nfs/dbraw/zinc/00/73/53/519007353.db2.gz OOAYVXGDSHYXER-IRXDYDNUSA-N 1 3 353.304 2.873 20 0 FFADHO CN1CCC[C@@H](CNC(=O)COC2CCC([NH3+])CC2)[C@H]1c1cccs1 ZINC000574154561 519014165 /nfs/dbraw/zinc/01/41/65/519014165.db2.gz JICVAFMJVRIFMM-QAVIERHMSA-N 1 3 365.543 2.534 20 0 FFADHO [NH3+]CCc1ccccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000580206568 519060518 /nfs/dbraw/zinc/06/05/18/519060518.db2.gz JBZOLUNQWOFITE-UHFFFAOYSA-N 1 3 365.521 2.969 20 0 FFADHO C[C@@H](C(=O)N1CCC(CC[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000574287569 519082411 /nfs/dbraw/zinc/08/24/11/519082411.db2.gz NNFMLXWPZMGEGR-SFHVURJKSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1nc(COc2ccc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc2)no1 ZINC000577492112 519107672 /nfs/dbraw/zinc/10/76/72/519107672.db2.gz APYGLYIVVTXSSQ-SFHVURJKSA-N 1 3 356.470 2.779 20 0 FFADHO CN(C(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000565776947 519128573 /nfs/dbraw/zinc/12/85/73/519128573.db2.gz MWARCQAWBATKBJ-SFTDATJTSA-N 1 3 369.484 2.991 20 0 FFADHO Cc1cc(C)n(-c2ccc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000571549889 519153798 /nfs/dbraw/zinc/15/37/98/519153798.db2.gz DGSQGLRSLVKLSS-FDFHNCONSA-N 1 3 368.525 2.778 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000583311828 519183325 /nfs/dbraw/zinc/18/33/25/519183325.db2.gz YBNOTZBYPNNXSW-OVWQWFNUSA-N 1 3 364.559 2.818 20 0 FFADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000571623050 519186103 /nfs/dbraw/zinc/18/61/03/519186103.db2.gz FAEINYXNEXTJIR-QFBILLFUSA-N 1 3 360.502 2.671 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000583369298 519211944 /nfs/dbraw/zinc/21/19/44/519211944.db2.gz ODXXGNYWIYCNFU-IAGOWNOFSA-N 1 3 360.502 2.752 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccccc3OCC3CC3)CC2)CC1 ZINC000568799903 519219740 /nfs/dbraw/zinc/21/97/40/519219740.db2.gz HHMMFSWCQIOUSI-UHFFFAOYSA-N 1 3 357.542 2.935 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580531808 519223850 /nfs/dbraw/zinc/22/38/50/519223850.db2.gz NXRYYROHAPGYPC-XUVXKRRUSA-N 1 3 356.514 2.511 20 0 FFADHO Cn1ccnc1COc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000580564103 519241986 /nfs/dbraw/zinc/24/19/86/519241986.db2.gz LEIBMEKJEMTWRO-LJQANCHMSA-N 1 3 354.498 2.821 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2)CC1 ZINC000583478847 519268024 /nfs/dbraw/zinc/26/80/24/519268024.db2.gz HGROCJJDYHVAGC-OAQYLSRUSA-N 1 3 370.541 2.780 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000583478847 519268032 /nfs/dbraw/zinc/26/80/32/519268032.db2.gz HGROCJJDYHVAGC-OAQYLSRUSA-N 1 3 370.541 2.780 20 0 FFADHO CCc1cccc(OC[C@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000571790658 519278089 /nfs/dbraw/zinc/27/80/89/519278089.db2.gz YFCCGDGFJVKYOD-OAQYLSRUSA-N 1 3 369.509 2.890 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106513 519302647 /nfs/dbraw/zinc/30/26/47/519302647.db2.gz SRWCNHGOONUKIK-DZGCQCFKSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106513 519302649 /nfs/dbraw/zinc/30/26/49/519302649.db2.gz SRWCNHGOONUKIK-DZGCQCFKSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106513 519302651 /nfs/dbraw/zinc/30/26/51/519302651.db2.gz SRWCNHGOONUKIK-DZGCQCFKSA-N 1 3 358.404 2.519 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNCC(C)(C)C[NH+]3CCCC3)c2cc1C ZINC000566124292 519318282 /nfs/dbraw/zinc/31/82/82/519318282.db2.gz IBLVJJDDZDASFW-SFHVURJKSA-N 1 3 358.530 2.726 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]CC(C)(C)CN3CCCC3)c2cc1C ZINC000566124292 519318295 /nfs/dbraw/zinc/31/82/95/519318295.db2.gz IBLVJJDDZDASFW-SFHVURJKSA-N 1 3 358.530 2.726 20 0 FFADHO CN(CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000566170891 519347636 /nfs/dbraw/zinc/34/76/36/519347636.db2.gz VMXFVWAHKNGIFY-UHFFFAOYSA-N 1 3 358.574 2.862 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000583629469 519349875 /nfs/dbraw/zinc/34/98/75/519349875.db2.gz JKUDMBMPPWAEIC-MRXNPFEDSA-N 1 3 357.420 2.738 20 0 FFADHO CCN(C(=O)COC1CCC([NH3+])CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000578010952 519371036 /nfs/dbraw/zinc/37/10/36/519371036.db2.gz IVSUBFHLQVXCOM-AFVILVPDSA-N 1 3 373.541 2.957 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCCN2C2CC2)[NH+](C)C)cc1 ZINC000583832629 519456178 /nfs/dbraw/zinc/45/61/78/519456178.db2.gz IWFJSVDBHBMUNN-UXHICEINSA-N 1 3 359.514 2.820 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000575027944 519459477 /nfs/dbraw/zinc/45/94/77/519459477.db2.gz VHNXONBHERPZIV-FQEVSTJZSA-N 1 3 358.530 2.909 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000575027944 519459483 /nfs/dbraw/zinc/45/94/83/519459483.db2.gz VHNXONBHERPZIV-FQEVSTJZSA-N 1 3 358.530 2.909 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000578226755 519484142 /nfs/dbraw/zinc/48/41/42/519484142.db2.gz XZPOWNXQKNQJIO-OALUTQOASA-N 1 3 358.530 2.586 20 0 FFADHO NCc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000569437552 519548230 /nfs/dbraw/zinc/54/82/30/519548230.db2.gz IAGPPBPHOWKUIU-HNNXBMFYSA-N 1 3 356.392 2.866 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594493242 520002638 /nfs/dbraw/zinc/00/26/38/520002638.db2.gz IIGVKQFHPQIKPO-HXUWFJFHSA-N 1 3 360.498 2.941 20 0 FFADHO CC[C@@H](Nc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000591828502 520056817 /nfs/dbraw/zinc/05/68/17/520056817.db2.gz ZBBRFGXCRXSEHG-HXUWFJFHSA-N 1 3 358.530 2.552 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000608656477 520068192 /nfs/dbraw/zinc/06/81/92/520068192.db2.gz WAPININUOCGFTA-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000608656477 520068196 /nfs/dbraw/zinc/06/81/96/520068196.db2.gz WAPININUOCGFTA-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C(=C\C[NH+]1CCC(c2ncc[nH]2)CC1)\CN1CCC(c2ncc[nH]2)CC1 ZINC000608756829 520114512 /nfs/dbraw/zinc/11/45/12/520114512.db2.gz GNOHILWFWWYEPU-UPHRSURJSA-N 1 3 354.502 2.748 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000612964993 520243708 /nfs/dbraw/zinc/24/37/08/520243708.db2.gz WFAUUEFGYGLPQM-RBUKOAKNSA-N 1 3 374.529 2.519 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612990111 520259524 /nfs/dbraw/zinc/25/95/24/520259524.db2.gz NYEUVMMCNVMQSY-MOPGFXCFSA-N 1 3 370.541 2.728 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600723927 520424474 /nfs/dbraw/zinc/42/44/74/520424474.db2.gz ZRZKBZSFMJVVGX-MPQSDHOMSA-N 1 3 368.562 2.959 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600723927 520424481 /nfs/dbraw/zinc/42/44/81/520424481.db2.gz ZRZKBZSFMJVVGX-MPQSDHOMSA-N 1 3 368.562 2.959 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600723927 520424487 /nfs/dbraw/zinc/42/44/87/520424487.db2.gz ZRZKBZSFMJVVGX-MPQSDHOMSA-N 1 3 368.562 2.959 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000604083888 520445167 /nfs/dbraw/zinc/44/51/67/520445167.db2.gz WXCAPDJLPXVUHI-XUVXKRRUSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000604083888 520445173 /nfs/dbraw/zinc/44/51/73/520445173.db2.gz WXCAPDJLPXVUHI-XUVXKRRUSA-N 1 3 356.514 2.577 20 0 FFADHO C[NH+]1CCC(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604193586 520482226 /nfs/dbraw/zinc/48/22/26/520482226.db2.gz ALKNNEOOTRZWLI-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000604193670 520482394 /nfs/dbraw/zinc/48/23/94/520482394.db2.gz IDEZJEWYLUXCMU-YLJYHZDGSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000604193670 520482404 /nfs/dbraw/zinc/48/24/04/520482404.db2.gz IDEZJEWYLUXCMU-YLJYHZDGSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000604322299 520520242 /nfs/dbraw/zinc/52/02/42/520520242.db2.gz YJWRJKXWDDZDQI-CTNGQTDRSA-N 1 3 373.541 2.565 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000604322299 520520245 /nfs/dbraw/zinc/52/02/45/520520245.db2.gz YJWRJKXWDDZDQI-CTNGQTDRSA-N 1 3 373.541 2.565 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000617507189 520544565 /nfs/dbraw/zinc/54/45/65/520544565.db2.gz LYZXWUWIMCKTRQ-BFHYXJOUSA-N 1 3 357.951 2.893 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000617507189 520544570 /nfs/dbraw/zinc/54/45/70/520544570.db2.gz LYZXWUWIMCKTRQ-BFHYXJOUSA-N 1 3 357.951 2.893 20 0 FFADHO CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[C@H]1CC[N@H+](C)C1 ZINC000617551488 520577088 /nfs/dbraw/zinc/57/70/88/520577088.db2.gz SGXWOIXMLBEEDT-ROUUACIJSA-N 1 3 365.468 2.696 20 0 FFADHO CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000617551488 520577096 /nfs/dbraw/zinc/57/70/96/520577096.db2.gz SGXWOIXMLBEEDT-ROUUACIJSA-N 1 3 365.468 2.696 20 0 FFADHO CC(C)C[C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000604866720 520696467 /nfs/dbraw/zinc/69/64/67/520696467.db2.gz YVCZNMNXPICQBK-OAQYLSRUSA-N 1 3 374.573 2.681 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000601248794 520706460 /nfs/dbraw/zinc/70/64/60/520706460.db2.gz SHJWIXWGFSAOLN-SCTDSRPQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000601248794 520706464 /nfs/dbraw/zinc/70/64/64/520706464.db2.gz SHJWIXWGFSAOLN-SCTDSRPQSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000605988644 520988757 /nfs/dbraw/zinc/98/87/57/520988757.db2.gz PSBXKZDCHTYYOY-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CCS[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596459221 521084060 /nfs/dbraw/zinc/08/40/60/521084060.db2.gz LBMNQYOOHJODAZ-ULQDDVLXSA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596459221 521084073 /nfs/dbraw/zinc/08/40/73/521084073.db2.gz LBMNQYOOHJODAZ-ULQDDVLXSA-N 1 3 358.596 2.622 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)N2CCCCC2)cc1 ZINC000618547893 521115476 /nfs/dbraw/zinc/11/54/76/521115476.db2.gz KJNOJDOUCPSOSG-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)N2CCCCC2)cc1 ZINC000618547893 521115481 /nfs/dbraw/zinc/11/54/81/521115481.db2.gz KJNOJDOUCPSOSG-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000606644308 521122090 /nfs/dbraw/zinc/12/20/90/521122090.db2.gz GFPDWFYNHWIJHE-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000606644308 521122096 /nfs/dbraw/zinc/12/20/96/521122096.db2.gz GFPDWFYNHWIJHE-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)C1CC[NH+](C)CC1 ZINC000606699048 521140618 /nfs/dbraw/zinc/14/06/18/521140618.db2.gz CRXRHRBMOCBRBF-LJQANCHMSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606700972 521141210 /nfs/dbraw/zinc/14/12/10/521141210.db2.gz TZLWIJYTATWOEW-QGZVFWFLSA-N 1 3 350.551 2.624 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000611678533 521275701 /nfs/dbraw/zinc/27/57/01/521275701.db2.gz DMOGLYRSQHWDBU-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO CCC[NH+]1CCC(CNCc2cc(C(=O)OC(C)(C)C)nn2C)CC1 ZINC000602551718 521408659 /nfs/dbraw/zinc/40/86/59/521408659.db2.gz QNKULQABMBRQTN-UHFFFAOYSA-N 1 3 350.507 2.587 20 0 FFADHO C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccccc1 ZINC000607752488 521448316 /nfs/dbraw/zinc/44/83/16/521448316.db2.gz HCZNPGFHZXMTDI-LAUBAEHRSA-N 1 3 355.526 2.855 20 0 FFADHO COC(=O)c1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)[nH]c1C ZINC000602655308 521460595 /nfs/dbraw/zinc/46/05/95/521460595.db2.gz UFABCMMJLUQILT-UHFFFAOYSA-N 1 3 371.481 2.873 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000615853126 521559280 /nfs/dbraw/zinc/55/92/80/521559280.db2.gz GWGVCVWROLSEPU-NHCUHLMSSA-N 1 3 374.573 2.969 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000623409124 522000208 /nfs/dbraw/zinc/00/02/08/522000208.db2.gz QQDZPOOFXLPTHW-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000623409124 522000217 /nfs/dbraw/zinc/00/02/17/522000217.db2.gz QQDZPOOFXLPTHW-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO COc1cc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1Cl ZINC000623475471 522052254 /nfs/dbraw/zinc/05/22/54/522052254.db2.gz MWRNVXSKCJGOSA-INIZCTEOSA-N 1 3 355.910 2.531 20 0 FFADHO C[NH+](C)CCOCCNCc1c[nH]nc1-c1ccc(Br)s1 ZINC000623494661 522066279 /nfs/dbraw/zinc/06/62/79/522066279.db2.gz YXRQSTXGGXBAAE-UHFFFAOYSA-N 1 3 373.320 2.569 20 0 FFADHO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)CN1CCCC1 ZINC000629574050 522328524 /nfs/dbraw/zinc/32/85/24/522328524.db2.gz GCEDWOIPEQAYEU-LSDHHAIUSA-N 1 3 358.313 2.618 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000626977853 522568582 /nfs/dbraw/zinc/56/85/82/522568582.db2.gz FFPPOZUDCMZUTB-HBGVWJBISA-N 1 3 358.530 2.757 20 0 FFADHO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000624305261 522599044 /nfs/dbraw/zinc/59/90/44/522599044.db2.gz ZNXKJOYTUZYTID-FZDIXFNVSA-N 1 3 356.470 2.708 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000627029572 522603750 /nfs/dbraw/zinc/60/37/50/522603750.db2.gz XQTPBXDKXHQSDM-IPMKNSEASA-N 1 3 358.530 2.727 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000630078703 522612851 /nfs/dbraw/zinc/61/28/51/522612851.db2.gz VAMVHEJAHBAOPS-IJEWVQPXSA-N 1 3 354.397 2.869 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000624610585 522816275 /nfs/dbraw/zinc/81/62/75/522816275.db2.gz VXCOALMCGDWABA-FPOVZHCZSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000624610585 522816282 /nfs/dbraw/zinc/81/62/82/522816282.db2.gz VXCOALMCGDWABA-FPOVZHCZSA-N 1 3 372.557 2.882 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000627487764 522870229 /nfs/dbraw/zinc/87/02/29/522870229.db2.gz KJFISTYAHGAWTQ-MHTWAQMVSA-N 1 3 355.526 2.697 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000627487764 522870240 /nfs/dbraw/zinc/87/02/40/522870240.db2.gz KJFISTYAHGAWTQ-MHTWAQMVSA-N 1 3 355.526 2.697 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000627487766 522870762 /nfs/dbraw/zinc/87/07/62/522870762.db2.gz KJFISTYAHGAWTQ-PLACYPQZSA-N 1 3 355.526 2.697 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000627487766 522870764 /nfs/dbraw/zinc/87/07/64/522870764.db2.gz KJFISTYAHGAWTQ-PLACYPQZSA-N 1 3 355.526 2.697 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621662048 523003453 /nfs/dbraw/zinc/00/34/53/523003453.db2.gz ISCHNAPNDSAULX-PXNSSMCTSA-N 1 3 359.514 2.728 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000621662047 523004724 /nfs/dbraw/zinc/00/47/24/523004724.db2.gz ISCHNAPNDSAULX-FXAWDEMLSA-N 1 3 359.514 2.728 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000636618383 523099843 /nfs/dbraw/zinc/09/98/43/523099843.db2.gz CUEFLXALBPONFG-LJQANCHMSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631042708 523328966 /nfs/dbraw/zinc/32/89/66/523328966.db2.gz LMJDXEYCEGVAIJ-CQSZACIVSA-N 1 3 373.950 2.732 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631042708 523328976 /nfs/dbraw/zinc/32/89/76/523328976.db2.gz LMJDXEYCEGVAIJ-CQSZACIVSA-N 1 3 373.950 2.732 20 0 FFADHO C[N@H+](CCOc1cccc(CNCc2ccc(=O)[nH]c2)c1)C1CCOCC1 ZINC000631062113 523347171 /nfs/dbraw/zinc/34/71/71/523347171.db2.gz PAIIVRBJNUOPAR-UHFFFAOYSA-N 1 3 371.481 2.567 20 0 FFADHO C[N@@H+](CCOc1cccc(CNCc2ccc(=O)[nH]c2)c1)C1CCOCC1 ZINC000631062113 523347179 /nfs/dbraw/zinc/34/71/79/523347179.db2.gz PAIIVRBJNUOPAR-UHFFFAOYSA-N 1 3 371.481 2.567 20 0 FFADHO C[NH+]1CCC2(CC1)CN(CC1(O)CCC(c3ccccc3)CC1)CCO2 ZINC000625510193 523491191 /nfs/dbraw/zinc/49/11/91/523491191.db2.gz ZOCSJLUYSFPRNQ-UHFFFAOYSA-N 1 3 358.526 2.872 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637369712 523588003 /nfs/dbraw/zinc/58/80/03/523588003.db2.gz BEWRDRYCRZMWRZ-QUCCMNQESA-N 1 3 362.562 2.767 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637369712 523588012 /nfs/dbraw/zinc/58/80/12/523588012.db2.gz BEWRDRYCRZMWRZ-QUCCMNQESA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634708396 523593529 /nfs/dbraw/zinc/59/35/29/523593529.db2.gz UDZCLOKECCHVPW-LJQVGOIWSA-N 1 3 360.542 2.645 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634708396 523593537 /nfs/dbraw/zinc/59/35/37/523593537.db2.gz UDZCLOKECCHVPW-LJQVGOIWSA-N 1 3 360.542 2.645 20 0 FFADHO CN(C)CCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000623087438 523672920 /nfs/dbraw/zinc/67/29/20/523672920.db2.gz RGSLWLAICQVFEY-NRFANRHFSA-N 1 3 358.574 2.657 20 0 FFADHO CC(C)C[C@H](C)OCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000130543781 728719341 /nfs/dbraw/zinc/71/93/41/728719341.db2.gz XGDBORSEZILLGA-KRWDZBQOSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000164054915 728963781 /nfs/dbraw/zinc/96/37/81/728963781.db2.gz TUBSGNNFNZKBCN-YHUYYLMFSA-N 1 3 355.523 2.819 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000164054915 728963785 /nfs/dbraw/zinc/96/37/85/728963785.db2.gz TUBSGNNFNZKBCN-YHUYYLMFSA-N 1 3 355.523 2.819 20 0 FFADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@H]1CCSc2c(F)cccc21 ZINC000268852855 729695729 /nfs/dbraw/zinc/69/57/29/729695729.db2.gz PPHAWNXDDMYORU-DLBZAZTESA-N 1 3 365.518 2.895 20 0 FFADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@H]1CCSc2c(F)cccc21 ZINC000268852855 729695732 /nfs/dbraw/zinc/69/57/32/729695732.db2.gz PPHAWNXDDMYORU-DLBZAZTESA-N 1 3 365.518 2.895 20 0 FFADHO C[NH+]1CCN(c2cc(CN[C@H]3CCc4c3nccc4Cl)ccn2)CC1 ZINC000924687176 738438879 /nfs/dbraw/zinc/43/88/79/738438879.db2.gz ACPCBZRDVAVSHR-KRWDZBQOSA-N 1 3 357.889 2.659 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069517 729851562 /nfs/dbraw/zinc/85/15/62/729851562.db2.gz OTJWRWQRPMDPPL-SJLPKXTDSA-N 1 3 362.543 2.669 20 0 FFADHO [NH3+]Cc1ccc2c(c1)N(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)CCO2 ZINC000638807834 730045536 /nfs/dbraw/zinc/04/55/36/730045536.db2.gz PQENEQCYCTZDFN-OLZOCXBDSA-N 1 3 358.360 2.618 20 0 FFADHO CSc1ccc([C@H](CNC2CC[NH+](CC(C)(C)O)CC2)N(C)C)cc1 ZINC000639213408 730068881 /nfs/dbraw/zinc/06/88/81/730068881.db2.gz MLAGMFXWIHTJAM-IBGZPJMESA-N 1 3 365.587 2.836 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000641035075 730193538 /nfs/dbraw/zinc/19/35/38/730193538.db2.gz YEMJOAJXITZKDN-XBMUEBEBSA-N 1 3 350.551 2.671 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000641798273 730252754 /nfs/dbraw/zinc/25/27/54/730252754.db2.gz DMKBVYSAZLFNAY-GOEBONIOSA-N 1 3 354.397 2.726 20 0 FFADHO [NH3+]C1CCC(N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000643503611 730292756 /nfs/dbraw/zinc/29/27/56/730292756.db2.gz KWVYWKVJBDELMB-YIZWMMSDSA-N 1 3 373.316 2.527 20 0 FFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)n1 ZINC000925043377 738473426 /nfs/dbraw/zinc/47/34/26/738473426.db2.gz XFIADXRTXHHYJC-ZIAGYGMSSA-N 1 3 367.335 2.663 20 0 FFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(Br)n1 ZINC000925214941 738489950 /nfs/dbraw/zinc/48/99/50/738489950.db2.gz JMLCKIAVJBTWNG-ZDUSSCGKSA-N 1 3 355.324 2.521 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482630 730704121 /nfs/dbraw/zinc/70/41/21/730704121.db2.gz KLJIABZXYLDVTI-GJZGRUSLSA-N 1 3 361.477 2.953 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482630 730704123 /nfs/dbraw/zinc/70/41/23/730704123.db2.gz KLJIABZXYLDVTI-GJZGRUSLSA-N 1 3 361.477 2.953 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482630 730704125 /nfs/dbraw/zinc/70/41/25/730704125.db2.gz KLJIABZXYLDVTI-GJZGRUSLSA-N 1 3 361.477 2.953 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000647937290 730775657 /nfs/dbraw/zinc/77/56/57/730775657.db2.gz VDEHFUMERPCQBJ-WFASDCNBSA-N 1 3 354.292 2.837 20 0 FFADHO C[C@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000648379835 730804327 /nfs/dbraw/zinc/80/43/27/730804327.db2.gz CLMFTBHTZIIMRP-KBXCAEBGSA-N 1 3 362.905 2.939 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000648379835 730804330 /nfs/dbraw/zinc/80/43/30/730804330.db2.gz CLMFTBHTZIIMRP-KBXCAEBGSA-N 1 3 362.905 2.939 20 0 FFADHO CCN(CC)c1ncc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707019 731021826 /nfs/dbraw/zinc/02/18/26/731021826.db2.gz XBRVZLRHEUGPPB-YQQAZPJKSA-N 1 3 352.548 2.708 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3CC(C)(C)C)CC2)CC1 ZINC000650798802 731028422 /nfs/dbraw/zinc/02/84/22/731028422.db2.gz KGJHXEWZMPNUFW-MAUKXSAKSA-N 1 3 350.551 2.669 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)CC1 ZINC000652240177 731177806 /nfs/dbraw/zinc/17/78/06/731177806.db2.gz SFHXORRPAUFNEZ-UHFFFAOYSA-N 1 3 350.551 2.657 20 0 FFADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925495958 738510767 /nfs/dbraw/zinc/51/07/67/738510767.db2.gz OYHZLQMRBCIIDE-ROUUACIJSA-N 1 3 367.559 2.510 20 0 FFADHO C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000925582239 738516133 /nfs/dbraw/zinc/51/61/33/738516133.db2.gz DENICNAPGLDNAC-XJKSGUPXSA-N 1 3 357.420 2.952 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000654473994 731365692 /nfs/dbraw/zinc/36/56/92/731365692.db2.gz CBPPRIAAXZJMAJ-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655692303 731499344 /nfs/dbraw/zinc/49/93/44/731499344.db2.gz SWUPXBUQPHXAHG-QFBILLFUSA-N 1 3 351.922 2.786 20 0 FFADHO COc1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000655704921 731500915 /nfs/dbraw/zinc/50/09/15/731500915.db2.gz QFOIVNILVRYGTE-HNNXBMFYSA-N 1 3 369.303 2.801 20 0 FFADHO C[C@H](C[C@@H](O)c1cccs1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215200 731740597 /nfs/dbraw/zinc/74/05/97/731740597.db2.gz SXUCMAJPSMMPDH-YVWKXTFCSA-N 1 3 360.523 2.787 20 0 FFADHO C[C@H](C[C@@H](O)c1cccs1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215200 731740602 /nfs/dbraw/zinc/74/06/02/731740602.db2.gz SXUCMAJPSMMPDH-YVWKXTFCSA-N 1 3 360.523 2.787 20 0 FFADHO CS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925829447 738533750 /nfs/dbraw/zinc/53/37/50/738533750.db2.gz OGBVKAUIULNBCA-FGTMMUONSA-N 1 3 350.528 2.533 20 0 FFADHO Brc1cnn(C2(C[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)CC2)c1 ZINC000925840391 738535023 /nfs/dbraw/zinc/53/50/23/738535023.db2.gz VWMXMUFMZFOAHC-JKSUJKDBSA-N 1 3 367.335 2.893 20 0 FFADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(N)c(Cl)c1 ZINC000925849507 738536018 /nfs/dbraw/zinc/53/60/18/738536018.db2.gz DKQHWBNWNSMWGB-PWSUYJOCSA-N 1 3 372.296 2.912 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cccc(F)c3OC(F)F)C2)CC1 ZINC000657360075 731773210 /nfs/dbraw/zinc/77/32/10/731773210.db2.gz VZUDVZSVZXLOCY-CQSZACIVSA-N 1 3 357.420 2.685 20 0 FFADHO COc1c(Br)cccc1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573452 731792338 /nfs/dbraw/zinc/79/23/38/731792338.db2.gz NPXAXSGSNCLZON-AWEZNQCLSA-N 1 3 372.351 2.819 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000874433605 732057336 /nfs/dbraw/zinc/05/73/36/732057336.db2.gz ZNWFQTXGGPQXOG-XHSDSOJGSA-N 1 3 350.532 2.558 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000660404385 732105284 /nfs/dbraw/zinc/10/52/84/732105284.db2.gz GLXSOQSKYXZWSG-FGTMMUONSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000660404385 732105287 /nfs/dbraw/zinc/10/52/87/732105287.db2.gz GLXSOQSKYXZWSG-FGTMMUONSA-N 1 3 352.567 2.917 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000876736409 732274254 /nfs/dbraw/zinc/27/42/54/732274254.db2.gz KXHBCLDQAVDLIX-KGLIPLIRSA-N 1 3 364.559 2.769 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccsc1 ZINC000662678392 732345416 /nfs/dbraw/zinc/34/54/16/732345416.db2.gz DKUKJZFGNCPQJP-ZFWWWQNUSA-N 1 3 363.449 2.789 20 0 FFADHO CC(C)(N)c1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)on1 ZINC000662697529 732347722 /nfs/dbraw/zinc/34/77/22/732347722.db2.gz GCJLABREWMZTNW-CYBMUJFWSA-N 1 3 362.499 2.572 20 0 FFADHO CC(C)(N)c1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)on1 ZINC000662697529 732347726 /nfs/dbraw/zinc/34/77/26/732347726.db2.gz GCJLABREWMZTNW-CYBMUJFWSA-N 1 3 362.499 2.572 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC000663443812 732441847 /nfs/dbraw/zinc/44/18/47/732441847.db2.gz RLACNJSNNYMAEL-LSDHHAIUSA-N 1 3 354.926 2.972 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC000663443812 732441849 /nfs/dbraw/zinc/44/18/49/732441849.db2.gz RLACNJSNNYMAEL-LSDHHAIUSA-N 1 3 354.926 2.972 20 0 FFADHO CCN(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCN(C)C1 ZINC000663870519 732506886 /nfs/dbraw/zinc/50/68/86/732506886.db2.gz GPIGCQLWOXQJFB-QGZVFWFLSA-N 1 3 364.559 2.696 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H]1CCN(C)C1 ZINC000664212836 732552532 /nfs/dbraw/zinc/55/25/32/732552532.db2.gz WNUIBLKVPGVVFG-LZLYRXPVSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H]1CCN(C)C1 ZINC000664212836 732552537 /nfs/dbraw/zinc/55/25/37/732552537.db2.gz WNUIBLKVPGVVFG-LZLYRXPVSA-N 1 3 364.559 2.867 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)CC3(O)CCCC3)C2)s1 ZINC000878573596 732556855 /nfs/dbraw/zinc/55/68/55/732556855.db2.gz LQJNDYGDQJJZOE-ZWKOTPCHSA-N 1 3 366.571 2.866 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)CC3(O)CCCC3)C2)s1 ZINC000878573596 732556860 /nfs/dbraw/zinc/55/68/60/732556860.db2.gz LQJNDYGDQJJZOE-ZWKOTPCHSA-N 1 3 366.571 2.866 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)CC3(O)CCCC3)C2)s1 ZINC000878573594 732557152 /nfs/dbraw/zinc/55/71/52/732557152.db2.gz LQJNDYGDQJJZOE-ROUUACIJSA-N 1 3 366.571 2.866 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)CC3(O)CCCC3)C2)s1 ZINC000878573594 732557156 /nfs/dbraw/zinc/55/71/56/732557156.db2.gz LQJNDYGDQJJZOE-ROUUACIJSA-N 1 3 366.571 2.866 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000665553717 732726087 /nfs/dbraw/zinc/72/60/87/732726087.db2.gz ZMIBAJWDZGYMIC-IRXDYDNUSA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000665553717 732726092 /nfs/dbraw/zinc/72/60/92/732726092.db2.gz ZMIBAJWDZGYMIC-IRXDYDNUSA-N 1 3 350.482 2.600 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000665637435 732734168 /nfs/dbraw/zinc/73/41/68/732734168.db2.gz CVHSQBIIQRPEBH-RDJZCZTQSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000665637435 732734171 /nfs/dbraw/zinc/73/41/71/732734171.db2.gz CVHSQBIIQRPEBH-RDJZCZTQSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000665638798 732734764 /nfs/dbraw/zinc/73/47/64/732734764.db2.gz CMWRZMMXRVSANG-HOTGVXAUSA-N 1 3 352.498 2.800 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000665638798 732734767 /nfs/dbraw/zinc/73/47/67/732734767.db2.gz CMWRZMMXRVSANG-HOTGVXAUSA-N 1 3 352.498 2.800 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000665758209 732751997 /nfs/dbraw/zinc/75/19/97/732751997.db2.gz BHHGNLCIMVXJLX-HNNXBMFYSA-N 1 3 352.498 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000665758209 732752000 /nfs/dbraw/zinc/75/20/00/732752000.db2.gz BHHGNLCIMVXJLX-HNNXBMFYSA-N 1 3 352.498 2.632 20 0 FFADHO CC(C)[C@@H]1N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC12CC=CC2 ZINC000665763734 732753877 /nfs/dbraw/zinc/75/38/77/732753877.db2.gz KNFFMSYRLNUWBL-ROUUACIJSA-N 1 3 350.551 2.645 20 0 FFADHO CC(C)[C@@H]1N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC12CC=CC2 ZINC000665763734 732753880 /nfs/dbraw/zinc/75/38/80/732753880.db2.gz KNFFMSYRLNUWBL-ROUUACIJSA-N 1 3 350.551 2.645 20 0 FFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(Br)n1 ZINC000926687184 738644922 /nfs/dbraw/zinc/64/49/22/738644922.db2.gz VXDNBZBCAVSYST-UONOGXRCSA-N 1 3 357.340 2.767 20 0 FFADHO CN1C(=O)C[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000886374435 733778419 /nfs/dbraw/zinc/77/84/19/733778419.db2.gz BNGWIZGFDUVXBP-QANKJYHBSA-N 1 3 351.441 2.699 20 0 FFADHO COc1ccc2nc(CN[C@H]3CCN(C4CC[NH+](C)CC4)C3)sc2c1 ZINC000682731338 734098020 /nfs/dbraw/zinc/09/80/20/734098020.db2.gz XPSJXPFCKVWKKI-AWEZNQCLSA-N 1 3 360.527 2.563 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCN(C)C1 ZINC000892513052 734568595 /nfs/dbraw/zinc/56/85/95/734568595.db2.gz ZAAJEQKVCGJBIL-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCN(C)C1 ZINC000892513052 734568596 /nfs/dbraw/zinc/56/85/96/734568596.db2.gz ZAAJEQKVCGJBIL-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO CN1CCC(NC(=S)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000731492129 734681068 /nfs/dbraw/zinc/68/10/68/734681068.db2.gz JUEDQQIJTQAFID-SFHVURJKSA-N 1 3 352.592 2.589 20 0 FFADHO CN1CCC(NC(=S)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000731492129 734681070 /nfs/dbraw/zinc/68/10/70/734681070.db2.gz JUEDQQIJTQAFID-SFHVURJKSA-N 1 3 352.592 2.589 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000743015780 735270109 /nfs/dbraw/zinc/27/01/09/735270109.db2.gz CKAVVCYHLQSFEQ-QGZVFWFLSA-N 1 3 360.571 2.599 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000743015780 735270113 /nfs/dbraw/zinc/27/01/13/735270113.db2.gz CKAVVCYHLQSFEQ-QGZVFWFLSA-N 1 3 360.571 2.599 20 0 FFADHO Brc1cnc2n1C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CC2 ZINC000903479103 736099671 /nfs/dbraw/zinc/09/96/71/736099671.db2.gz JDUFIUKJOOITAU-YPRXJGMQSA-N 1 3 365.319 2.708 20 0 FFADHO Brc1cnc2n1C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000903479103 736099678 /nfs/dbraw/zinc/09/96/78/736099678.db2.gz JDUFIUKJOOITAU-YPRXJGMQSA-N 1 3 365.319 2.708 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494721 736101874 /nfs/dbraw/zinc/10/18/74/736101874.db2.gz LYTHJWRIKCCNQW-FRRDWIJNSA-N 1 3 354.292 2.693 20 0 FFADHO Clc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc(Cl)n1 ZINC000903510936 736103988 /nfs/dbraw/zinc/10/39/88/736103988.db2.gz VCHIUHMYMHRPOX-GASCZTMLSA-N 1 3 355.313 2.789 20 0 FFADHO Brc1ccc2c(c1)[C@H](NC[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CCO2 ZINC000903786984 736166754 /nfs/dbraw/zinc/16/67/54/736166754.db2.gz SNMMTZKTAKQWMW-FRFSOERESA-N 1 3 367.287 2.631 20 0 FFADHO Brc1ccc(OCC[N@@H+]2CCNCCC23CCOCC3)cc1 ZINC000903814597 736169994 /nfs/dbraw/zinc/16/99/94/736169994.db2.gz FJUIBWUPPMPXEQ-UHFFFAOYSA-N 1 3 369.303 2.672 20 0 FFADHO Brc1ccc(OCC[N@H+]2CCNCCC23CCOCC3)cc1 ZINC000903814597 736169998 /nfs/dbraw/zinc/16/99/98/736169998.db2.gz FJUIBWUPPMPXEQ-UHFFFAOYSA-N 1 3 369.303 2.672 20 0 FFADHO FC(F)(F)COc1ccc(C[N@@H+]2CCNCCC23CCOCC3)cc1 ZINC000903815658 736170078 /nfs/dbraw/zinc/17/00/78/736170078.db2.gz NQVPQOOFIPTECU-UHFFFAOYSA-N 1 3 358.404 2.972 20 0 FFADHO FC(F)(F)COc1ccc(C[N@H+]2CCNCCC23CCOCC3)cc1 ZINC000903815658 736170082 /nfs/dbraw/zinc/17/00/82/736170082.db2.gz NQVPQOOFIPTECU-UHFFFAOYSA-N 1 3 358.404 2.972 20 0 FFADHO OCC1(C[C@H](O)CNC2CC[NH+](CC3CCCCC3)CC2)CCCC1 ZINC000905071561 736292507 /nfs/dbraw/zinc/29/25/07/736292507.db2.gz OVACRSXUEZAPIL-FQEVSTJZSA-N 1 3 352.563 2.924 20 0 FFADHO OCC1(C[C@H](O)C[NH2+]C2CCN(CC3CCCCC3)CC2)CCCC1 ZINC000905071561 736292509 /nfs/dbraw/zinc/29/25/09/736292509.db2.gz OVACRSXUEZAPIL-FQEVSTJZSA-N 1 3 352.563 2.924 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760476666 736642404 /nfs/dbraw/zinc/64/24/04/736642404.db2.gz CQMVMSGTOYFWHH-LPHOPBHVSA-N 1 3 360.571 2.628 20 0 FFADHO CC[NH+]1CCC(NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000766528905 737238349 /nfs/dbraw/zinc/23/83/49/737238349.db2.gz MGGRVWIUUKCKHN-GDBMZVCRSA-N 1 3 355.523 2.821 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000916011047 737671073 /nfs/dbraw/zinc/67/10/73/737671073.db2.gz BJEPMZZCHOLZQZ-RTBURBONSA-N 1 3 360.571 2.599 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000916011047 737671079 /nfs/dbraw/zinc/67/10/79/737671079.db2.gz BJEPMZZCHOLZQZ-RTBURBONSA-N 1 3 360.571 2.599 20 0 FFADHO Cc1nn(C)c(CNCCc2ccc(OCC[NH+](C)C)cc2)c1Cl ZINC000921693447 738023967 /nfs/dbraw/zinc/02/39/67/738023967.db2.gz DANZJMQHJHORNR-UHFFFAOYSA-N 1 3 350.894 2.655 20 0 FFADHO Clc1n[nH]c(C2CC2)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000922234859 738109737 /nfs/dbraw/zinc/10/97/37/738109737.db2.gz OEEYZVAKCNQIPS-UHFFFAOYSA-N 1 3 352.910 2.921 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc3c1OCC3)C2 ZINC000922386239 738134825 /nfs/dbraw/zinc/13/48/25/738134825.db2.gz FIFNFTUDWXFNKV-HNBVOPMISA-N 1 3 364.917 2.844 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc3c1OCC3)C2 ZINC000922386239 738134827 /nfs/dbraw/zinc/13/48/27/738134827.db2.gz FIFNFTUDWXFNKV-HNBVOPMISA-N 1 3 364.917 2.844 20 0 FFADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cnc1Br ZINC000930113101 739061063 /nfs/dbraw/zinc/06/10/63/739061063.db2.gz CARCBMVGDTVAIB-UHFFFAOYSA-N 1 3 369.351 2.610 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)[C@H](C)C1 ZINC000787309118 739125527 /nfs/dbraw/zinc/12/55/27/739125527.db2.gz QZPUTDHYUZMVKB-CCKFTAQKSA-N 1 3 356.457 2.725 20 0 FFADHO Cc1c(Cl)cccc1N1CCC[N@H+](C[C@@H](O)CN2CCCC2)CC1 ZINC000792886612 739715548 /nfs/dbraw/zinc/71/55/48/739715548.db2.gz FRQIAJQKSFEOHL-KRWDZBQOSA-N 1 3 351.922 2.617 20 0 FFADHO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@@H](O)CN2CCCC2)CC1 ZINC000792886612 739715551 /nfs/dbraw/zinc/71/55/51/739715551.db2.gz FRQIAJQKSFEOHL-KRWDZBQOSA-N 1 3 351.922 2.617 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000796988717 740202663 /nfs/dbraw/zinc/20/26/63/740202663.db2.gz GTPOWMKMMFJUJF-LUKYLMHMSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000796988717 740202667 /nfs/dbraw/zinc/20/26/67/740202667.db2.gz GTPOWMKMMFJUJF-LUKYLMHMSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000796988717 740202669 /nfs/dbraw/zinc/20/26/69/740202669.db2.gz GTPOWMKMMFJUJF-LUKYLMHMSA-N 1 3 353.304 2.945 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC000960007834 740607973 /nfs/dbraw/zinc/60/79/73/740607973.db2.gz JHMRBTHRBIIMIQ-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccnc(Cl)c2)CC[N@H+]1C ZINC000960007834 740607977 /nfs/dbraw/zinc/60/79/77/740607977.db2.gz JHMRBTHRBIIMIQ-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000806495612 741064796 /nfs/dbraw/zinc/06/47/96/741064796.db2.gz IVXWEGKIQTWFII-YJBOKZPZSA-N 1 3 350.482 2.602 20 0 FFADHO CN(C)C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000811528011 741534073 /nfs/dbraw/zinc/53/40/73/741534073.db2.gz GHRIERMLTDZZFW-VQIMIIECSA-N 1 3 353.457 2.757 20 0 FFADHO CN(C)C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000811528011 741534076 /nfs/dbraw/zinc/53/40/76/741534076.db2.gz GHRIERMLTDZZFW-VQIMIIECSA-N 1 3 353.457 2.757 20 0 FFADHO Cc1nc(C)c(CN2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001005414080 742254486 /nfs/dbraw/zinc/25/44/86/742254486.db2.gz YRXZLCNHFPJWTJ-RHSMWYFYSA-N 1 3 364.559 2.523 20 0 FFADHO Cc1nc(C)c(CN2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001005414080 742254490 /nfs/dbraw/zinc/25/44/90/742254490.db2.gz YRXZLCNHFPJWTJ-RHSMWYFYSA-N 1 3 364.559 2.523 20 0 FFADHO CCS(=O)(=O)CCNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000818949024 742313320 /nfs/dbraw/zinc/31/33/20/742313320.db2.gz XDDQXWPMOGDHAU-UHFFFAOYSA-N 1 3 360.523 2.940 20 0 FFADHO Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001028549577 742793109 /nfs/dbraw/zinc/79/31/09/742793109.db2.gz RKUHQQGMEVXAEC-SOLBZPMBSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001028549577 742793110 /nfs/dbraw/zinc/79/31/10/742793110.db2.gz RKUHQQGMEVXAEC-SOLBZPMBSA-N 1 3 363.933 2.927 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cnc(Cl)s2)CC[N@@H+]1C ZINC001045044585 743246304 /nfs/dbraw/zinc/24/63/04/743246304.db2.gz OKGOBCDNQFWSMF-AEGPPILISA-N 1 3 370.950 2.607 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cnc(Cl)s2)CC[N@H+]1C ZINC001045044585 743246310 /nfs/dbraw/zinc/24/63/10/743246310.db2.gz OKGOBCDNQFWSMF-AEGPPILISA-N 1 3 370.950 2.607 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2c(C)nsc2C)CC[N@@H+]1C ZINC001045044694 743246554 /nfs/dbraw/zinc/24/65/54/743246554.db2.gz RMEDTPVSMBLHDJ-XYJFISCASA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2c(C)nsc2C)CC[N@H+]1C ZINC001045044694 743246558 /nfs/dbraw/zinc/24/65/58/743246558.db2.gz RMEDTPVSMBLHDJ-XYJFISCASA-N 1 3 364.559 2.571 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1Br ZINC000825344343 743253483 /nfs/dbraw/zinc/25/34/83/743253483.db2.gz VTXWQRRMBIHGIN-KRWDZBQOSA-N 1 3 353.304 2.947 20 0 FFADHO CCCN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCN(C)C1 ZINC000826644985 743415343 /nfs/dbraw/zinc/41/53/43/743415343.db2.gz RCEZOLVHLJJKDS-CTWPCTMYSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827625080 744949884 /nfs/dbraw/zinc/94/98/84/744949884.db2.gz KEWABLYOGUSDAR-UICACZKSSA-N 1 3 366.937 2.916 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827625080 744949889 /nfs/dbraw/zinc/94/98/89/744949889.db2.gz KEWABLYOGUSDAR-UICACZKSSA-N 1 3 366.937 2.916 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000827739362 744969148 /nfs/dbraw/zinc/96/91/48/744969148.db2.gz YBOHYJDNJYCDGF-INIZCTEOSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000827739362 744969149 /nfs/dbraw/zinc/96/91/49/744969149.db2.gz YBOHYJDNJYCDGF-INIZCTEOSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc(Cl)n1 ZINC000828949859 745144589 /nfs/dbraw/zinc/14/45/89/745144589.db2.gz QLAYPCIRTLEEED-IIAWOOMASA-N 1 3 352.910 2.812 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(CSC)CC3)CC2)CC1 ZINC000834348980 745821901 /nfs/dbraw/zinc/82/19/01/745821901.db2.gz IMQRLYIFJAOOBV-UHFFFAOYSA-N 1 3 367.603 2.784 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000834911444 745923405 /nfs/dbraw/zinc/92/34/05/745923405.db2.gz SWEMUFJCBXDTJI-HJWJTTGWSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000834911444 745923408 /nfs/dbraw/zinc/92/34/08/745923408.db2.gz SWEMUFJCBXDTJI-HJWJTTGWSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000834911444 745923412 /nfs/dbraw/zinc/92/34/12/745923412.db2.gz SWEMUFJCBXDTJI-HJWJTTGWSA-N 1 3 353.304 2.945 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc(Cl)n1 ZINC000844187650 747985067 /nfs/dbraw/zinc/98/50/67/747985067.db2.gz MMDMXYKUGWGYIS-CABCVRRESA-N 1 3 354.926 2.916 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(Cl)ccn3)CC2)CC1 ZINC000848373238 748914668 /nfs/dbraw/zinc/91/46/68/748914668.db2.gz SCNMELONABKWAL-UHFFFAOYSA-N 1 3 364.921 2.548 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000849051231 749042547 /nfs/dbraw/zinc/04/25/47/749042547.db2.gz CFSBZEGFRGOKCU-HNNXBMFYSA-N 1 3 354.445 2.720 20 0 FFADHO CCc1nn(C)c(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000850344780 749345975 /nfs/dbraw/zinc/34/59/75/749345975.db2.gz VUWQQXYXRYLMLA-UHFFFAOYSA-N 1 3 354.926 2.617 20 0 FFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850490748 749373026 /nfs/dbraw/zinc/37/30/26/749373026.db2.gz GCPSOHDXUDEHGD-BZHBSQSBSA-N 1 3 354.482 2.930 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000852414785 749855405 /nfs/dbraw/zinc/85/54/05/749855405.db2.gz UZAOPFPZRYNWFE-DAWZGUTISA-N 1 3 350.551 2.956 20 0 FFADHO O[C@@H](CN(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1)c1ccsc1 ZINC000852746779 749942634 /nfs/dbraw/zinc/94/26/34/749942634.db2.gz SWLLRRAFHDEBHU-MOPGFXCFSA-N 1 3 358.507 2.805 20 0 FFADHO O[C@H](CN(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1)c1ccsc1 ZINC000852746782 749942751 /nfs/dbraw/zinc/94/27/51/749942751.db2.gz SWLLRRAFHDEBHU-RTBURBONSA-N 1 3 358.507 2.805 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C(F)(F)F)n[nH]3)CC2)CC1 ZINC000516312098 888526069 /nfs/dbraw/zinc/52/60/69/888526069.db2.gz AZTTXSCLARYJIE-UHFFFAOYSA-N 1 3 373.423 2.563 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC001104810075 970874068 /nfs/dbraw/zinc/87/40/68/970874068.db2.gz ZXLMJYQUVIDCPH-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)s1 ZINC001104924847 971165135 /nfs/dbraw/zinc/16/51/35/971165135.db2.gz UGXYFCZILKZTBT-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO CO[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)C1CCCC1 ZINC001105066984 971448605 /nfs/dbraw/zinc/44/86/05/971448605.db2.gz IBADENDJWNWZGH-RLLQIKCJSA-N 1 3 367.578 2.606 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087986667 971679487 /nfs/dbraw/zinc/67/94/87/971679487.db2.gz WFIXKXNOIIXZPY-PMPSAXMXSA-N 1 3 361.452 2.594 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087986667 971679489 /nfs/dbraw/zinc/67/94/89/971679489.db2.gz WFIXKXNOIIXZPY-PMPSAXMXSA-N 1 3 361.452 2.594 20 0 FFADHO CCOC(=O)N1CCC(C)(C[NH2+][C@@H](CCN(C)C)c2cccnc2)CC1 ZINC000896717972 971680816 /nfs/dbraw/zinc/68/08/16/971680816.db2.gz ZAUBPSYOBTXHSP-SFHVURJKSA-N 1 3 362.518 2.923 20 0 FFADHO C[C@H]1C[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000660574000 972255165 /nfs/dbraw/zinc/25/51/65/972255165.db2.gz NFNRCENNZIHXKZ-PIIMJCKOSA-N 1 3 364.578 2.917 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC(F)CC1 ZINC000660575822 972259630 /nfs/dbraw/zinc/25/96/30/972259630.db2.gz WSSQYUBPRRLHDG-GTPINHCMSA-N 1 3 368.541 2.761 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652137899 972383107 /nfs/dbraw/zinc/38/31/07/972383107.db2.gz ZZCVEQFUHRDHPT-ROPHOZQPSA-N 1 3 356.514 2.592 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N(C)Cc1ccccc1 ZINC000660635746 972399048 /nfs/dbraw/zinc/39/90/48/972399048.db2.gz KHUMIKCEXKYOOX-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N(C)Cc1ccccc1 ZINC000660635746 972399054 /nfs/dbraw/zinc/39/90/54/972399054.db2.gz KHUMIKCEXKYOOX-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3cc(C)ccc3C)C2)CC[N@@H+]1C ZINC000969690103 959762478 /nfs/dbraw/zinc/76/24/78/959762478.db2.gz OHHZPHOTRZISHB-DZFGPLHGSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3cc(C)ccc3C)C2)CC[N@H+]1C ZINC000969690103 959762492 /nfs/dbraw/zinc/76/24/92/959762492.db2.gz OHHZPHOTRZISHB-DZFGPLHGSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1nccn1-c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000655700900 961102889 /nfs/dbraw/zinc/10/28/89/961102889.db2.gz QJOLBFGJSMOBKN-SFHVURJKSA-N 1 3 358.461 2.663 20 0 FFADHO COc1ccc(Nc2cc[nH+]c(C)c2)cc1OCCCN1CCN(C)CC1 ZINC001174657258 1013277881 /nfs/dbraw/zinc/27/78/81/1013277881.db2.gz CRHWOUDIKBNAHI-UHFFFAOYSA-N 1 3 370.497 2.580 20 0 FFADHO C#CCN1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000050025637 962406416 /nfs/dbraw/zinc/40/64/16/962406416.db2.gz KBKOHWZMUVMNNQ-UHFFFAOYSA-N 1 3 353.510 2.634 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c(C)c1 ZINC001095437626 1013373922 /nfs/dbraw/zinc/37/39/22/1013373922.db2.gz YNDVNPGWSPBUCW-JFHUYLGKSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c(C)c1 ZINC001095437626 1013373933 /nfs/dbraw/zinc/37/39/33/1013373933.db2.gz YNDVNPGWSPBUCW-JFHUYLGKSA-N 1 3 355.526 2.865 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC4(CCCC4)CC3)CC2)CC1 ZINC000125672142 962808473 /nfs/dbraw/zinc/80/84/73/962808473.db2.gz HTAIVRMDDDKYKE-UHFFFAOYSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000649370214 1013380494 /nfs/dbraw/zinc/38/04/94/1013380494.db2.gz HTVWZRKGAQYSCJ-IEBWSBKVSA-N 1 3 359.489 2.829 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000649378677 1013388048 /nfs/dbraw/zinc/38/80/48/1013388048.db2.gz UXQNVPQSYKCMBX-SFHVURJKSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000649378677 1013388060 /nfs/dbraw/zinc/38/80/60/1013388060.db2.gz UXQNVPQSYKCMBX-SFHVURJKSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H](CCc1ccccc1F)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218794 1013432661 /nfs/dbraw/zinc/43/26/61/1013432661.db2.gz QZDLTGPGWXZRMO-HNNXBMFYSA-N 1 3 353.445 2.976 20 0 FFADHO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242425 1013443177 /nfs/dbraw/zinc/44/31/77/1013443177.db2.gz BMGVKUNFLOIZLZ-FQEVSTJZSA-N 1 3 363.465 2.902 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)c2)nn1 ZINC000873245358 1013446159 /nfs/dbraw/zinc/44/61/59/1013446159.db2.gz ZGFYPNMRLHKLKQ-IBGZPJMESA-N 1 3 367.428 2.869 20 0 FFADHO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247400 1013447572 /nfs/dbraw/zinc/44/75/72/1013447572.db2.gz MDUCMJCASZKREH-OAHLLOKOSA-N 1 3 351.454 2.894 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@@H](C)[NH+](C)C)c(C)c2)CC1 ZINC000664330820 964135744 /nfs/dbraw/zinc/13/57/44/964135744.db2.gz MUUSZYUKEDJBHV-QGZVFWFLSA-N 1 3 361.534 2.599 20 0 FFADHO CCN(C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCN(C)C1 ZINC000664437293 964347723 /nfs/dbraw/zinc/34/77/23/964347723.db2.gz SYVHNFYVXVAWCT-GGPKGHCWSA-N 1 3 372.557 2.879 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087165958 964478314 /nfs/dbraw/zinc/47/83/14/964478314.db2.gz SBOAVRISEBITKZ-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891556996 964481624 /nfs/dbraw/zinc/48/16/24/964481624.db2.gz MWRUWMYABWRTDB-XUVXKRRUSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@H](CNC(=O)Cc1cccc2c1CC[NH2+]C2)N(C)Cc1ccccc1 ZINC000638111843 964507801 /nfs/dbraw/zinc/50/78/01/964507801.db2.gz GQZZRZMNPFUPAH-QGZVFWFLSA-N 1 3 351.494 2.512 20 0 FFADHO CC(C)OCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506851 964685750 /nfs/dbraw/zinc/68/57/50/964685750.db2.gz IPGXMWXTWFBPCQ-RXVVDRJESA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H](C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2)OC ZINC001112506866 964686059 /nfs/dbraw/zinc/68/60/59/964686059.db2.gz JDGXPZSHYCIIPD-WFXMLNOXSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)[C@H]1CCN(C)C1 ZINC000664692523 964967192 /nfs/dbraw/zinc/96/71/92/964967192.db2.gz NBDLHZNEOWUULO-PMACEKPBSA-N 1 3 360.546 2.879 20 0 FFADHO CCN(C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[C@H]1CCN(C)C1 ZINC000664692523 964967203 /nfs/dbraw/zinc/96/72/03/964967203.db2.gz NBDLHZNEOWUULO-PMACEKPBSA-N 1 3 360.546 2.879 20 0 FFADHO CCOC1CC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C2CCC2)C1 ZINC001087175323 965101010 /nfs/dbraw/zinc/10/10/10/965101010.db2.gz HXTCNARHAKBGNH-PYXOFJJQSA-N 1 3 365.562 2.503 20 0 FFADHO O=C(N1CCCC1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167964562 965160975 /nfs/dbraw/zinc/16/09/75/965160975.db2.gz SPWHGAYIUAYIDM-IHWFROFDSA-N 1 3 360.546 2.662 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000891895113 965358372 /nfs/dbraw/zinc/35/83/72/965358372.db2.gz BYOJUGKNSHWCOL-IBGZPJMESA-N 1 3 356.514 2.703 20 0 FFADHO COc1ccc(C[C@@H](CO)C[NH2+]C2CCN(CCC(C)C)CC2)cc1O ZINC000894471851 965399618 /nfs/dbraw/zinc/39/96/18/965399618.db2.gz JDTRHMHFUCUPOU-GOSISDBHSA-N 1 3 364.530 2.652 20 0 FFADHO COc1ccc(C[C@@H](CO)CNC2CC[NH+](CCC(C)C)CC2)cc1O ZINC000894471851 965399628 /nfs/dbraw/zinc/39/96/28/965399628.db2.gz JDTRHMHFUCUPOU-GOSISDBHSA-N 1 3 364.530 2.652 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC000983713950 965816181 /nfs/dbraw/zinc/81/61/81/965816181.db2.gz ODFDGUGZBUXWQG-LZLXCTOHSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC000983713950 965816194 /nfs/dbraw/zinc/81/61/94/965816194.db2.gz ODFDGUGZBUXWQG-LZLXCTOHSA-N 1 3 365.468 2.680 20 0 FFADHO c1cncc(CN2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)c1 ZINC001167986585 965910790 /nfs/dbraw/zinc/91/07/90/965910790.db2.gz GVHGLMPBTVRFBA-UKTKTSIOSA-N 1 3 366.553 2.851 20 0 FFADHO c1cncc(CN2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)c1 ZINC001167986585 965910798 /nfs/dbraw/zinc/91/07/98/965910798.db2.gz GVHGLMPBTVRFBA-UKTKTSIOSA-N 1 3 366.553 2.851 20 0 FFADHO C[NH+](C)CCOc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000685042317 967051035 /nfs/dbraw/zinc/05/10/35/967051035.db2.gz RFAQRWFPVQMGEU-QFIPXVFZSA-N 1 3 354.494 2.941 20 0 FFADHO CC[C@@H](C)Oc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000685042679 967052750 /nfs/dbraw/zinc/05/27/50/967052750.db2.gz MBTBFPZYNMVFQI-QGZVFWFLSA-N 1 3 363.546 2.988 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@H](CCn1cncn1)c1ccc(OC)cc1 ZINC000650756580 967717202 /nfs/dbraw/zinc/71/72/02/967717202.db2.gz FFRUKTSSSDTWJO-OAQYLSRUSA-N 1 3 365.481 2.927 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2ccc(CN)nc2C)cc1F ZINC000665259921 967892043 /nfs/dbraw/zinc/89/20/43/967892043.db2.gz VGAKITCPUMDTEI-WNYOCNMUSA-N 1 3 372.488 2.793 20 0 FFADHO C[NH+](C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1)C1CC1 ZINC001211615863 968027875 /nfs/dbraw/zinc/02/78/75/968027875.db2.gz KCKKJQVYMDCPHM-YXLDNOOGSA-N 1 3 361.917 2.663 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1)[NH+](C)C ZINC001211620619 968120840 /nfs/dbraw/zinc/12/08/40/968120840.db2.gz XDDMDJQWVQPBSP-KKHDSEBOSA-N 1 3 363.933 2.909 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc(C)nc1C ZINC001087574009 968202645 /nfs/dbraw/zinc/20/26/45/968202645.db2.gz OEPDVAWGHZGIAB-QHAWAJNXSA-N 1 3 370.541 2.509 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCCn2ccnc2)CC1 ZINC000685462490 968228380 /nfs/dbraw/zinc/22/83/80/968228380.db2.gz NLCNKCGKTQKQDP-UHFFFAOYSA-N 1 3 355.530 2.937 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCCn2ccnc2)CC1 ZINC000685462490 968228389 /nfs/dbraw/zinc/22/83/89/968228389.db2.gz NLCNKCGKTQKQDP-UHFFFAOYSA-N 1 3 355.530 2.937 20 0 FFADHO C[C@@H](N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000658111280 968533742 /nfs/dbraw/zinc/53/37/42/968533742.db2.gz NJCNZNINTPQXIZ-OXQOHEQNSA-N 1 3 367.493 2.865 20 0 FFADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000658146521 968550834 /nfs/dbraw/zinc/55/08/34/968550834.db2.gz VPCLHSCVTGPGCR-UZLBHIALSA-N 1 3 368.477 2.875 20 0 FFADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000658146521 968550842 /nfs/dbraw/zinc/55/08/42/968550842.db2.gz VPCLHSCVTGPGCR-UZLBHIALSA-N 1 3 368.477 2.875 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000665355313 969075556 /nfs/dbraw/zinc/07/55/56/969075556.db2.gz PNLAOIVVJRLCRN-LJQANCHMSA-N 1 3 367.497 2.919 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000665355313 969075564 /nfs/dbraw/zinc/07/55/64/969075564.db2.gz PNLAOIVVJRLCRN-LJQANCHMSA-N 1 3 367.497 2.919 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892498741 969164694 /nfs/dbraw/zinc/16/46/94/969164694.db2.gz MGKMHDBIQBATLP-INIZCTEOSA-N 1 3 362.518 2.664 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC000892529829 969373988 /nfs/dbraw/zinc/37/39/88/969373988.db2.gz CIJKWIJKWMEQPX-HXUWFJFHSA-N 1 3 358.530 2.600 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001024967594 969425588 /nfs/dbraw/zinc/42/55/88/969425588.db2.gz YASQWTFEZCQQSD-NIKGAXFTSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001024967594 969425591 /nfs/dbraw/zinc/42/55/91/969425591.db2.gz YASQWTFEZCQQSD-NIKGAXFTSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C[NH+]1CCCCC1 ZINC000659031378 969646600 /nfs/dbraw/zinc/64/66/00/969646600.db2.gz NXEXXCQEPOETJP-LPHOPBHVSA-N 1 3 360.502 2.591 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+](C)C ZINC000659031123 969647519 /nfs/dbraw/zinc/64/75/19/969647519.db2.gz AXNFJWKXXYGFCN-RTBURBONSA-N 1 3 362.518 2.835 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659042036 969662426 /nfs/dbraw/zinc/66/24/26/969662426.db2.gz RTJLGGMCEGJXGA-MAUKXSAKSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659042036 969662431 /nfs/dbraw/zinc/66/24/31/969662431.db2.gz RTJLGGMCEGJXGA-MAUKXSAKSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)(CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C[NH+]1CCCC1 ZINC000659045418 969663169 /nfs/dbraw/zinc/66/31/69/969663169.db2.gz XPXXOKHDEUYYHR-SFHVURJKSA-N 1 3 360.502 2.591 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000659434122 969919938 /nfs/dbraw/zinc/91/99/38/969919938.db2.gz JRSZKDTXAVYVLR-UXPWSPDFSA-N 1 3 358.530 2.592 20 0 FFADHO CN(CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000659441149 969931177 /nfs/dbraw/zinc/93/11/77/969931177.db2.gz BXCRRMFLUJJCMT-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO CN(CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000659441150 969931329 /nfs/dbraw/zinc/93/13/29/969931329.db2.gz BXCRRMFLUJJCMT-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO CC(C)C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000659470124 969959298 /nfs/dbraw/zinc/95/92/98/969959298.db2.gz WHXTUAZOZODTNQ-GDAAHCPNSA-N 1 3 364.509 2.833 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000659493545 969982841 /nfs/dbraw/zinc/98/28/41/969982841.db2.gz VHQDLJAXLLVVEU-MOPGFXCFSA-N 1 3 364.534 2.749 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001104639869 970007323 /nfs/dbraw/zinc/00/73/23/970007323.db2.gz ZDQZTFABGPTQNK-YVWKXTFCSA-N 1 3 363.521 2.986 20 0 FFADHO CC1(C)CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC000659610036 970075316 /nfs/dbraw/zinc/07/53/16/970075316.db2.gz CENDIUWSLNVBKW-IBGZPJMESA-N 1 3 370.541 2.682 20 0 FFADHO CC1(C)CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC000659610036 970075325 /nfs/dbraw/zinc/07/53/25/970075325.db2.gz CENDIUWSLNVBKW-IBGZPJMESA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001104728980 970181357 /nfs/dbraw/zinc/18/13/57/970181357.db2.gz KTXUQRWMPVRYSY-UKRRQHHQSA-N 1 3 362.424 2.505 20 0 FFADHO CN(C(=O)NC[C@H]1CCN1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665363127 970364185 /nfs/dbraw/zinc/36/41/85/970364185.db2.gz SZEGRWFIKQEQKU-MOPGFXCFSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)NC[C@H]1CCN1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665363127 970364197 /nfs/dbraw/zinc/36/41/97/970364197.db2.gz SZEGRWFIKQEQKU-MOPGFXCFSA-N 1 3 358.530 2.775 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893001421 970488716 /nfs/dbraw/zinc/48/87/16/970488716.db2.gz MPESCECXWYCHFJ-OAQYLSRUSA-N 1 3 370.541 2.967 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088109496 972839206 /nfs/dbraw/zinc/83/92/06/972839206.db2.gz JBUBWDUAHHWRHA-NYILCQPWSA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088109496 972839216 /nfs/dbraw/zinc/83/92/16/972839216.db2.gz JBUBWDUAHHWRHA-NYILCQPWSA-N 1 3 355.526 2.820 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000897018507 973157337 /nfs/dbraw/zinc/15/73/37/973157337.db2.gz ZISUPAQJHIXCAG-IHPCNDPISA-N 1 3 359.514 2.677 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000897018507 973157341 /nfs/dbraw/zinc/15/73/41/973157341.db2.gz ZISUPAQJHIXCAG-IHPCNDPISA-N 1 3 359.514 2.677 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660938280 973205876 /nfs/dbraw/zinc/20/58/76/973205876.db2.gz KNBWOTIMMXTIFV-APWZRJJASA-N 1 3 373.545 2.779 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660938280 973205881 /nfs/dbraw/zinc/20/58/81/973205881.db2.gz KNBWOTIMMXTIFV-APWZRJJASA-N 1 3 373.545 2.779 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000897217694 973453438 /nfs/dbraw/zinc/45/34/38/973453438.db2.gz FVKWHLOOZUIFHD-FPOVZHCZSA-N 1 3 373.541 2.925 20 0 FFADHO COc1ccc(C2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)nc1 ZINC000649650926 1014140034 /nfs/dbraw/zinc/14/00/34/1014140034.db2.gz QMOMAQRKCKBQKJ-UHFFFAOYSA-N 1 3 360.546 2.686 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662806806 974148513 /nfs/dbraw/zinc/14/85/13/974148513.db2.gz SVFCWRMTHSCJON-OAQYLSRUSA-N 1 3 365.477 2.865 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000897320767 974230676 /nfs/dbraw/zinc/23/06/76/974230676.db2.gz DQKURNZDYFXLPF-JXFKEZNVSA-N 1 3 361.530 2.923 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)CCN2CCCCC2)cc1 ZINC000652988911 1014184789 /nfs/dbraw/zinc/18/47/89/1014184789.db2.gz OECDIKPYXQJBAF-UHFFFAOYSA-N 1 3 361.530 2.965 20 0 FFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000662869027 974424903 /nfs/dbraw/zinc/42/49/03/974424903.db2.gz VBIRRXAJICDSET-FVCZOJIISA-N 1 3 359.514 2.520 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)CN1Cc1ccccc1 ZINC000652167617 974670921 /nfs/dbraw/zinc/67/09/21/974670921.db2.gz ZKAWVPIJSOYZMU-DNVCBOLYSA-N 1 3 370.472 2.747 20 0 FFADHO C[C@@]12COC[C@@H]1CN(Cc1cc(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)ccc1F)C2 ZINC000661710170 974694591 /nfs/dbraw/zinc/69/45/91/974694591.db2.gz SFOIURBJXJIWHZ-BLKABHOGSA-N 1 3 374.500 2.762 20 0 FFADHO C[C@@]12COC[C@@H]1CN(Cc1cc(C[N@H+]3C[C@H]4COC[C@]4(C)C3)ccc1F)C2 ZINC000661710170 974694594 /nfs/dbraw/zinc/69/45/94/974694594.db2.gz SFOIURBJXJIWHZ-BLKABHOGSA-N 1 3 374.500 2.762 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348190 974952001 /nfs/dbraw/zinc/95/20/01/974952001.db2.gz WZEHTTSFLVQFGU-VMXMFDLUSA-N 1 3 373.541 2.560 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675694 974980260 /nfs/dbraw/zinc/98/02/60/974980260.db2.gz WYELFYPVSCKXOR-SESVDKBCSA-N 1 3 357.542 2.959 20 0 FFADHO CCCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529957 975369289 /nfs/dbraw/zinc/36/92/89/975369289.db2.gz XJGLTEYXFZOEPX-DYXWJJEUSA-N 1 3 365.562 2.506 20 0 FFADHO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662254695 975385073 /nfs/dbraw/zinc/38/50/73/975385073.db2.gz TTYVUDREFBTYSX-IBGZPJMESA-N 1 3 368.456 2.867 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294203 975407574 /nfs/dbraw/zinc/40/75/74/975407574.db2.gz CAZQCMUNISRYKJ-AZUAARDMSA-N 1 3 373.541 2.590 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)CC1 ZINC000893564222 975407623 /nfs/dbraw/zinc/40/76/23/975407623.db2.gz PECJQNCJJLRKHB-UHFFFAOYSA-N 1 3 357.542 2.861 20 0 FFADHO Cc1nn(C(C)C)c(C)c1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000893564505 975408151 /nfs/dbraw/zinc/40/81/51/975408151.db2.gz QVPFKACYXTVIMI-UHFFFAOYSA-N 1 3 361.578 2.930 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297254 975414387 /nfs/dbraw/zinc/41/43/87/975414387.db2.gz OVCZGPLBQFRVEI-CRAIPNDOSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)[C@@H]1CCC[NH3+] ZINC000662313598 975431391 /nfs/dbraw/zinc/43/13/91/975431391.db2.gz JENQJYOKVZCVMG-NVXWUHKLSA-N 1 3 372.513 2.590 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662588706 975722690 /nfs/dbraw/zinc/72/26/90/975722690.db2.gz FNSILGPIAXDVEL-SFTDATJTSA-N 1 3 370.541 2.532 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC001027894001 975748580 /nfs/dbraw/zinc/74/85/80/975748580.db2.gz IDNSUVQXNOILID-TYCQWZJGSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC001027894001 975748590 /nfs/dbraw/zinc/74/85/90/975748590.db2.gz IDNSUVQXNOILID-TYCQWZJGSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000662638477 975773437 /nfs/dbraw/zinc/77/34/37/975773437.db2.gz QXYKGMLHTRTIMQ-UTKZUKDTSA-N 1 3 366.509 2.746 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000662638929 975780433 /nfs/dbraw/zinc/78/04/33/975780433.db2.gz YRGLVEZPXLZIDT-INIZCTEOSA-N 1 3 352.482 2.743 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000663400383 975790988 /nfs/dbraw/zinc/79/09/88/975790988.db2.gz PVRBJUIIMNRPOV-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663400383 975791000 /nfs/dbraw/zinc/79/10/00/975791000.db2.gz PVRBJUIIMNRPOV-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)CN1Cc1ccccc1 ZINC000893621047 976047311 /nfs/dbraw/zinc/04/73/11/976047311.db2.gz IWXLMFKLCHCCAD-DYESRHJHSA-N 1 3 370.541 2.966 20 0 FFADHO c1nc(C2CC2)c(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663512918 976093634 /nfs/dbraw/zinc/09/36/34/976093634.db2.gz QFSUABRRCWRMMG-OAHLLOKOSA-N 1 3 372.542 2.533 20 0 FFADHO c1nc(C2CC2)sc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512477 976094405 /nfs/dbraw/zinc/09/44/05/976094405.db2.gz NCNLTRCXFSCOJD-HNNXBMFYSA-N 1 3 372.542 2.533 20 0 FFADHO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167841020 976491907 /nfs/dbraw/zinc/49/19/07/976491907.db2.gz JNXVZCQISYTPQT-FGTMMUONSA-N 1 3 364.534 2.950 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000667790798 977033375 /nfs/dbraw/zinc/03/33/75/977033375.db2.gz BYUSHKQYIKRPKY-FQEVSTJZSA-N 1 3 365.481 2.686 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667795712 977051097 /nfs/dbraw/zinc/05/10/97/977051097.db2.gz MRQFMKGYFMMJBM-OAHLLOKOSA-N 1 3 359.518 2.749 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667795712 977051105 /nfs/dbraw/zinc/05/11/05/977051105.db2.gz MRQFMKGYFMMJBM-OAHLLOKOSA-N 1 3 359.518 2.749 20 0 FFADHO C[C@@H](F)CCN1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006710 977106106 /nfs/dbraw/zinc/10/61/06/977106106.db2.gz NUJADDQQAGCXED-RLLQIKCJSA-N 1 3 361.505 2.614 20 0 FFADHO C[C@@H](F)CCN1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006710 977106112 /nfs/dbraw/zinc/10/61/12/977106112.db2.gz NUJADDQQAGCXED-RLLQIKCJSA-N 1 3 361.505 2.614 20 0 FFADHO CCCN1C[C@@H]2C[NH+](C3CCN(C(=O)c4cccc(OC)c4)CC3)C[C@H]2C1 ZINC001167888322 977299138 /nfs/dbraw/zinc/29/91/38/977299138.db2.gz RUPYUOLQAZIGRD-RTBURBONSA-N 1 3 371.525 2.573 20 0 FFADHO CCN(C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663785779 977348395 /nfs/dbraw/zinc/34/83/95/977348395.db2.gz ZKFOUAOSFJEMMQ-HOJAQTOUSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663785779 977348405 /nfs/dbraw/zinc/34/84/05/977348405.db2.gz ZKFOUAOSFJEMMQ-HOJAQTOUSA-N 1 3 358.530 2.948 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCF)C1 ZINC001211729945 977518501 /nfs/dbraw/zinc/51/85/01/977518501.db2.gz MXEBFKVVKSFZHD-XUVXKRRUSA-N 1 3 361.505 2.805 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000332700786 977666285 /nfs/dbraw/zinc/66/62/85/977666285.db2.gz BFHUNECAITWEKA-ROUUACIJSA-N 1 3 373.545 2.638 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000332700786 977666290 /nfs/dbraw/zinc/66/62/90/977666290.db2.gz BFHUNECAITWEKA-ROUUACIJSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)N1CCN(C)CC1 ZINC000877022983 1014452884 /nfs/dbraw/zinc/45/28/84/1014452884.db2.gz ZFLSUPFLDHMORM-SYYKKAFVSA-N 1 3 356.558 2.580 20 0 FFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001087464799 978309665 /nfs/dbraw/zinc/30/96/65/978309665.db2.gz FFVPIGMAEQOJQG-HUYLIWGRSA-N 1 3 361.505 2.850 20 0 FFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087464799 978309673 /nfs/dbraw/zinc/30/96/73/978309673.db2.gz FFVPIGMAEQOJQG-HUYLIWGRSA-N 1 3 361.505 2.850 20 0 FFADHO O=C(NC[C@H]1Cc2ccccc2CN1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000877343524 1014555938 /nfs/dbraw/zinc/55/59/38/1014555938.db2.gz MFPAGFAOTYYHPM-JOCHJYFZSA-N 1 3 363.505 2.729 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@H]4C)[C@@H]3C2)c(C)s1 ZINC001076241049 979259403 /nfs/dbraw/zinc/25/94/03/979259403.db2.gz ANDRYFSLDKTENS-DKSSEZFCSA-N 1 3 361.555 2.882 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@H]4C)[C@@H]3C2)c(C)s1 ZINC001076241049 979259414 /nfs/dbraw/zinc/25/94/14/979259414.db2.gz ANDRYFSLDKTENS-DKSSEZFCSA-N 1 3 361.555 2.882 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c1 ZINC001076242942 979274243 /nfs/dbraw/zinc/27/42/43/979274243.db2.gz XJMJXGMEIBXOQC-SLYNCCJLSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c1 ZINC001076242942 979274249 /nfs/dbraw/zinc/27/42/49/979274249.db2.gz XJMJXGMEIBXOQC-SLYNCCJLSA-N 1 3 355.526 2.678 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@H+](CC4CCCC4)C[C@H]32)C1 ZINC001076243623 979276228 /nfs/dbraw/zinc/27/62/28/979276228.db2.gz AGZGKSQILUZTNJ-UEXGIBASSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@@H+](CC4CCCC4)C[C@H]32)C1 ZINC001076243623 979276235 /nfs/dbraw/zinc/27/62/35/979276235.db2.gz AGZGKSQILUZTNJ-UEXGIBASSA-N 1 3 365.537 2.922 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001168124766 979592119 /nfs/dbraw/zinc/59/21/19/979592119.db2.gz YNUDTFYYERTTEV-ICSRJNTNSA-N 1 3 359.514 2.564 20 0 FFADHO CC(C)(C)CC[C@H](N)C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000904366326 980261111 /nfs/dbraw/zinc/26/11/11/980261111.db2.gz IFBUFCJVZLQUDC-KRWDZBQOSA-N 1 3 360.546 2.833 20 0 FFADHO CC(C)(C)CC[C@H]([NH3+])CNC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000904366326 980261116 /nfs/dbraw/zinc/26/11/16/980261116.db2.gz IFBUFCJVZLQUDC-KRWDZBQOSA-N 1 3 360.546 2.833 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])c2)CC1 ZINC000904421556 980276221 /nfs/dbraw/zinc/27/62/21/980276221.db2.gz JMKHHTHYTJJISI-DYESRHJHSA-N 1 3 371.529 2.564 20 0 FFADHO C[C@@H]1C[C@@H](Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000877609708 1014643943 /nfs/dbraw/zinc/64/39/43/1014643943.db2.gz HEPLVUJOSDZVPG-QUCCMNQESA-N 1 3 360.546 2.598 20 0 FFADHO C[C@@H]1C[C@@H](Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000877609708 1014643946 /nfs/dbraw/zinc/64/39/46/1014643946.db2.gz HEPLVUJOSDZVPG-QUCCMNQESA-N 1 3 360.546 2.598 20 0 FFADHO O[C@H](C[C@H](O)CNCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000905027699 980373669 /nfs/dbraw/zinc/37/36/69/980373669.db2.gz QQEBWLKTVLSIHT-FCHUYYIVSA-N 1 3 354.494 2.857 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000668556506 980674224 /nfs/dbraw/zinc/67/42/24/980674224.db2.gz VJDZBIXBRTUCAO-QFIPXVFZSA-N 1 3 357.542 2.956 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000668556506 980674225 /nfs/dbraw/zinc/67/42/25/980674225.db2.gz VJDZBIXBRTUCAO-QFIPXVFZSA-N 1 3 357.542 2.956 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000654408201 1014712838 /nfs/dbraw/zinc/71/28/38/1014712838.db2.gz YPGOEUKAPZNMRZ-AABGKKOBSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000654408201 1014712844 /nfs/dbraw/zinc/71/28/44/1014712844.db2.gz YPGOEUKAPZNMRZ-AABGKKOBSA-N 1 3 358.530 2.914 20 0 FFADHO C[C@@H]1CN(Cc2sc(N3CCC(O)CC3)nc2Cl)CCC[C@@H]1C[NH3+] ZINC001206004014 1032102950 /nfs/dbraw/zinc/10/29/50/1032102950.db2.gz OYEIWNOKBSXJBV-CHWSQXEVSA-N 1 3 372.966 2.564 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc2ncccc2c1 ZINC001088577835 981286921 /nfs/dbraw/zinc/28/69/21/981286921.db2.gz RIDMVKRNNKEIKA-SMOSDQRPSA-N 1 3 366.509 2.654 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc2ncccc2c1 ZINC001088577835 981286922 /nfs/dbraw/zinc/28/69/22/981286922.db2.gz RIDMVKRNNKEIKA-SMOSDQRPSA-N 1 3 366.509 2.654 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4cc[nH]c4c3)[C@@H]2C)CC[N@@H+]1C ZINC001088579480 981290797 /nfs/dbraw/zinc/29/07/97/981290797.db2.gz JXUPKCGPCOTXKQ-PXDUREFJSA-N 1 3 368.525 2.977 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4cc[nH]c4c3)[C@@H]2C)CC[N@H+]1C ZINC001088579480 981290801 /nfs/dbraw/zinc/29/08/01/981290801.db2.gz JXUPKCGPCOTXKQ-PXDUREFJSA-N 1 3 368.525 2.977 20 0 FFADHO C[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000237383257 981572352 /nfs/dbraw/zinc/57/23/52/981572352.db2.gz DLKNLOTYYUICBV-LJQANCHMSA-N 1 3 365.521 2.945 20 0 FFADHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(OC)c1OC ZINC000650722554 1014750414 /nfs/dbraw/zinc/75/04/14/1014750414.db2.gz WNBUQIKGWJHVAD-BBWFWOEESA-N 1 3 364.486 2.573 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000650728939 1014754061 /nfs/dbraw/zinc/75/40/61/1014754061.db2.gz WOWHQKCGIYFXSM-AZUAARDMSA-N 1 3 358.530 2.949 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOc4ccccc4C3)CC2)CC1 ZINC000654556565 1014770914 /nfs/dbraw/zinc/77/09/14/1014770914.db2.gz OQYRKIMHQSKESJ-UHFFFAOYSA-N 1 3 371.525 2.604 20 0 FFADHO CN(C[C@H](O)CC1(CO)CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878150527 1014882763 /nfs/dbraw/zinc/88/27/63/1014882763.db2.gz LAMOYTGJMMYSOY-NHCUHLMSSA-N 1 3 360.542 2.744 20 0 FFADHO CN(C[C@H](O)CC1(CO)CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878150527 1014882778 /nfs/dbraw/zinc/88/27/78/1014882778.db2.gz LAMOYTGJMMYSOY-NHCUHLMSSA-N 1 3 360.542 2.744 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(OC)c1 ZINC000668899825 983909205 /nfs/dbraw/zinc/90/92/05/983909205.db2.gz ARHSLZDLZXHOSM-HKUYNNGSSA-N 1 3 362.518 2.519 20 0 FFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)N1CCCCC1 ZINC001107409353 984515108 /nfs/dbraw/zinc/51/51/08/984515108.db2.gz RGTOCBLJRDYKDN-YLJYHZDGSA-N 1 3 353.526 2.971 20 0 FFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)N1CCCCC1 ZINC001107409353 984515114 /nfs/dbraw/zinc/51/51/14/984515114.db2.gz RGTOCBLJRDYKDN-YLJYHZDGSA-N 1 3 353.526 2.971 20 0 FFADHO Cc1ncccc1C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107439115 984540386 /nfs/dbraw/zinc/54/03/86/984540386.db2.gz RYMBTUUINWCOIF-IFMALSPDSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ncccc1C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107439115 984540390 /nfs/dbraw/zinc/54/03/90/984540390.db2.gz RYMBTUUINWCOIF-IFMALSPDSA-N 1 3 370.541 2.735 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107442319 984543743 /nfs/dbraw/zinc/54/37/43/984543743.db2.gz BBPJJWCXGNRACR-TUTWJKJHSA-N 1 3 353.938 2.974 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107442319 984543747 /nfs/dbraw/zinc/54/37/47/984543747.db2.gz BBPJJWCXGNRACR-TUTWJKJHSA-N 1 3 353.938 2.974 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764642544 984605677 /nfs/dbraw/zinc/60/56/77/984605677.db2.gz YBTPLAALRRZGDU-IRLDBZIGSA-N 1 3 359.558 2.988 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483711 984653215 /nfs/dbraw/zinc/65/32/15/984653215.db2.gz JBVOZSNPXQYICL-QUCCMNQESA-N 1 3 358.530 2.984 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2 ZINC001107546670 984671596 /nfs/dbraw/zinc/67/15/96/984671596.db2.gz LFHKBQFLDWGXGQ-BFYDXBDKSA-N 1 3 361.452 2.784 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2 ZINC001107546670 984671601 /nfs/dbraw/zinc/67/16/01/984671601.db2.gz LFHKBQFLDWGXGQ-BFYDXBDKSA-N 1 3 361.452 2.784 20 0 FFADHO COCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001107564231 984707421 /nfs/dbraw/zinc/70/74/21/984707421.db2.gz NPWAIRCONCUASS-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO COCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001107564231 984707425 /nfs/dbraw/zinc/70/74/25/984707425.db2.gz NPWAIRCONCUASS-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC[C@H]1CCOC1)CC2 ZINC001107581895 984730256 /nfs/dbraw/zinc/73/02/56/984730256.db2.gz QAJZSKMGOMSATA-QKNQBKEWSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC[C@H]1CCOC1)CC2 ZINC001107581895 984730261 /nfs/dbraw/zinc/73/02/61/984730261.db2.gz QAJZSKMGOMSATA-QKNQBKEWSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncccc1C)CC2 ZINC001107582941 984734700 /nfs/dbraw/zinc/73/47/00/984734700.db2.gz GVSFRTMFXQMZER-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncccc1C)CC2 ZINC001107582941 984734708 /nfs/dbraw/zinc/73/47/08/984734708.db2.gz GVSFRTMFXQMZER-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO O[C@@H](C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)CC1(O)CCCC1 ZINC000878606016 1015127303 /nfs/dbraw/zinc/12/73/03/1015127303.db2.gz MFMKCHCRCNGBIY-RTWAWAEBSA-N 1 3 358.526 2.641 20 0 FFADHO O[C@@H](C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)CC1(O)CCCC1 ZINC000878606016 1015127308 /nfs/dbraw/zinc/12/73/08/1015127308.db2.gz MFMKCHCRCNGBIY-RTWAWAEBSA-N 1 3 358.526 2.641 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)[C@@H]1C ZINC001088970507 985685294 /nfs/dbraw/zinc/68/52/94/985685294.db2.gz DBRZIURFKQWYOA-YZGWKJHDSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)[C@@H]1C ZINC001088970507 985685302 /nfs/dbraw/zinc/68/53/02/985685302.db2.gz DBRZIURFKQWYOA-YZGWKJHDSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C2CC2)cc1 ZINC001088980259 985730963 /nfs/dbraw/zinc/73/09/63/985730963.db2.gz CASGEZMXEZFLBJ-MMOPVJDHSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C2CC2)cc1 ZINC001088980259 985730972 /nfs/dbraw/zinc/73/09/72/985730972.db2.gz CASGEZMXEZFLBJ-MMOPVJDHSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc2ncccc2c1 ZINC001088980464 985731243 /nfs/dbraw/zinc/73/12/43/985731243.db2.gz IYUNBOOODMUHSI-POAQFYNOSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2ncccc2c1 ZINC001088980464 985731249 /nfs/dbraw/zinc/73/12/49/985731249.db2.gz IYUNBOOODMUHSI-POAQFYNOSA-N 1 3 366.509 2.656 20 0 FFADHO c1cc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc2c1OCO2 ZINC000166310421 985738925 /nfs/dbraw/zinc/73/89/25/985738925.db2.gz AVUXKPXFCFUMQH-QZTJIDSGSA-N 1 3 358.482 2.680 20 0 FFADHO c1cc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc2c1OCO2 ZINC000166310421 985738937 /nfs/dbraw/zinc/73/89/37/985738937.db2.gz AVUXKPXFCFUMQH-QZTJIDSGSA-N 1 3 358.482 2.680 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401297 986116942 /nfs/dbraw/zinc/11/69/42/986116942.db2.gz KXMBFGNLQHBCJB-ODWICZQRSA-N 1 3 365.562 2.526 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401297 986116948 /nfs/dbraw/zinc/11/69/48/986116948.db2.gz KXMBFGNLQHBCJB-ODWICZQRSA-N 1 3 365.562 2.526 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403684 986149554 /nfs/dbraw/zinc/14/95/54/986149554.db2.gz RIYWDYNKTOVZFH-IPMKNSEASA-N 1 3 353.551 2.645 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403684 986149559 /nfs/dbraw/zinc/14/95/59/986149559.db2.gz RIYWDYNKTOVZFH-IPMKNSEASA-N 1 3 353.551 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3cccc4cccnc43)C2)CC[N@@H+]1C ZINC001007367428 1015200471 /nfs/dbraw/zinc/20/04/71/1015200471.db2.gz DBCZOMFJDHQJJL-NSISKUIASA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3cccc4cccnc43)C2)CC[N@H+]1C ZINC001007367428 1015200477 /nfs/dbraw/zinc/20/04/77/1015200477.db2.gz DBCZOMFJDHQJJL-NSISKUIASA-N 1 3 366.509 2.656 20 0 FFADHO CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001112539994 986421434 /nfs/dbraw/zinc/42/14/34/986421434.db2.gz AHXVOXOISSLDFL-DYXWJJEUSA-N 1 3 365.562 2.506 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000761535410 987294172 /nfs/dbraw/zinc/29/41/72/987294172.db2.gz RVVNYGCXSRBCEM-HXUWFJFHSA-N 1 3 374.598 2.942 20 0 FFADHO COc1cccc([C@H](C)N2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001002860680 987546569 /nfs/dbraw/zinc/54/65/69/987546569.db2.gz POUWUFCWLWXIFD-RZQQEMMASA-N 1 3 359.514 2.677 20 0 FFADHO COc1cccc([C@H](C)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001002860680 987546572 /nfs/dbraw/zinc/54/65/72/987546572.db2.gz POUWUFCWLWXIFD-RZQQEMMASA-N 1 3 359.514 2.677 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000672754115 987576582 /nfs/dbraw/zinc/57/65/82/987576582.db2.gz PNEODKMANDAKEU-WOJBJXKFSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001106246515 987752040 /nfs/dbraw/zinc/75/20/40/987752040.db2.gz MOPLDYAPFIYLPW-ZACQAIPSSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001106254955 987765939 /nfs/dbraw/zinc/76/59/39/987765939.db2.gz CIRDQAMQNCLXIS-XHKZUWJLSA-N 1 3 355.526 2.868 20 0 FFADHO CN(C)C(=O)c1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000922242569 988243009 /nfs/dbraw/zinc/24/30/09/988243009.db2.gz GGCIBAXURPWHCM-UHFFFAOYSA-N 1 3 366.509 2.785 20 0 FFADHO C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311824403 988296346 /nfs/dbraw/zinc/29/63/46/988296346.db2.gz NWTZLDWSSBUIRC-JRGCBEDISA-N 1 3 351.494 2.583 20 0 FFADHO C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311824403 988296356 /nfs/dbraw/zinc/29/63/56/988296356.db2.gz NWTZLDWSSBUIRC-JRGCBEDISA-N 1 3 351.494 2.583 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3OC)C2)[C@H]1C(C)C ZINC000922391800 988548954 /nfs/dbraw/zinc/54/89/54/988548954.db2.gz HFQARGOPGQCEHW-DEPWHIHDSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3OC)C2)[C@H]1C(C)C ZINC000922391800 988548964 /nfs/dbraw/zinc/54/89/64/988548964.db2.gz HFQARGOPGQCEHW-DEPWHIHDSA-N 1 3 362.514 2.663 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccc(C)cc2)[C@H](C)C1)N(C)C ZINC001106674465 988617930 /nfs/dbraw/zinc/61/79/30/988617930.db2.gz WBUOXNADGFEMDH-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1)N(C)C ZINC001106674418 988618177 /nfs/dbraw/zinc/61/81/77/988618177.db2.gz USOPKTIHFLAMTA-KFWWJZLASA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC/C=C/c1ccccc1 ZINC001106704987 988727953 /nfs/dbraw/zinc/72/79/53/988727953.db2.gz LXWXSKTXSGMFDJ-AROHPSPASA-N 1 3 352.482 2.740 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC[N@@H+]1C ZINC000673774935 989245554 /nfs/dbraw/zinc/24/55/54/989245554.db2.gz FQJQBWFVZPGKOG-NSHGMRRFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC[N@H+]1C ZINC000673774935 989245566 /nfs/dbraw/zinc/24/55/66/989245566.db2.gz FQJQBWFVZPGKOG-NSHGMRRFSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000673877073 989348173 /nfs/dbraw/zinc/34/81/73/989348173.db2.gz YMQXSXFXRVWFBH-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000673877073 989348181 /nfs/dbraw/zinc/34/81/81/989348181.db2.gz YMQXSXFXRVWFBH-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO COc1ccc([C@@H](NCCCC[NH+]2CCN(C)CC2)c2ccccn2)cc1 ZINC000652139336 1015474365 /nfs/dbraw/zinc/47/43/65/1015474365.db2.gz IHMLGGHNMCHOGH-JOCHJYFZSA-N 1 3 368.525 2.797 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H](C1)O2 ZINC001273122397 989468199 /nfs/dbraw/zinc/46/81/99/989468199.db2.gz ZYDXOFXLOFQDJW-SLFFLAALSA-N 1 3 365.562 2.600 20 0 FFADHO COc1ccc([C@H](NCCCN2CCC[N@H+](C)CC2)c2ccccn2)cc1 ZINC000652150221 1015480825 /nfs/dbraw/zinc/48/08/25/1015480825.db2.gz PLJJNMJOVWCMJK-QFIPXVFZSA-N 1 3 368.525 2.797 20 0 FFADHO COc1ccc([C@H](NCCCN2CCC[N@@H+](C)CC2)c2ccccn2)cc1 ZINC000652150221 1015480826 /nfs/dbraw/zinc/48/08/26/1015480826.db2.gz PLJJNMJOVWCMJK-QFIPXVFZSA-N 1 3 368.525 2.797 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CN1C1CC1 ZINC000674707655 989889954 /nfs/dbraw/zinc/88/99/54/989889954.db2.gz NNWRSHHRMCOLAT-IEBWSBKVSA-N 1 3 362.562 2.909 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000652286065 1015517370 /nfs/dbraw/zinc/51/73/70/1015517370.db2.gz LTJWSCKWTPPWNK-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3cncs3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089392448 990265133 /nfs/dbraw/zinc/26/51/33/990265133.db2.gz UIRMDIQKNRGUHG-BFYDXBDKSA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3cncs3)CC(C)(C)C2)CC[N@H+]1C ZINC001089392448 990265138 /nfs/dbraw/zinc/26/51/38/990265138.db2.gz UIRMDIQKNRGUHG-BFYDXBDKSA-N 1 3 364.559 2.590 20 0 FFADHO Cc1ncccc1CNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001034818007 990279423 /nfs/dbraw/zinc/27/94/23/990279423.db2.gz XPYUZCLHRXNJSH-DYESRHJHSA-N 1 3 366.509 2.636 20 0 FFADHO Cc1ncccc1CNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001034818007 990279430 /nfs/dbraw/zinc/27/94/30/990279430.db2.gz XPYUZCLHRXNJSH-DYESRHJHSA-N 1 3 366.509 2.636 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000649102025 990290784 /nfs/dbraw/zinc/29/07/84/990290784.db2.gz QYESGYFPTNJBOF-RTWAWAEBSA-N 1 3 351.494 2.823 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000649102025 990290789 /nfs/dbraw/zinc/29/07/89/990290789.db2.gz QYESGYFPTNJBOF-RTWAWAEBSA-N 1 3 351.494 2.823 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675577120 990311125 /nfs/dbraw/zinc/31/11/25/990311125.db2.gz WSJHJPKZGOIIHL-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000918118513 990338212 /nfs/dbraw/zinc/33/82/12/990338212.db2.gz ACNRMNVPKHWEPD-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H](CCN1CCC[C@@H](n2ccnc2)C1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676250937 990524771 /nfs/dbraw/zinc/52/47/71/990524771.db2.gz ZIHSKGCLIKBSQK-VAMGGRTRSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CCN1CCC[C@@H](n2ccnc2)C1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676250937 990524774 /nfs/dbraw/zinc/52/47/74/990524774.db2.gz ZIHSKGCLIKBSQK-VAMGGRTRSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@@H](n2ccnc2)C1)N1CCC[C@@H](n2ccnc2)C1 ZINC000676250937 990524776 /nfs/dbraw/zinc/52/47/76/990524776.db2.gz ZIHSKGCLIKBSQK-VAMGGRTRSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@@H](n2ccnc2)C1)N1CCC[C@@H](n2ccnc2)C1 ZINC000676250937 990524780 /nfs/dbraw/zinc/52/47/80/990524780.db2.gz ZIHSKGCLIKBSQK-VAMGGRTRSA-N 1 3 356.518 2.832 20 0 FFADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC000923492420 991187062 /nfs/dbraw/zinc/18/70/62/991187062.db2.gz OAMAUWQFSWRUCG-GOSISDBHSA-N 1 3 367.493 2.553 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000923501526 991196144 /nfs/dbraw/zinc/19/61/44/991196144.db2.gz UZQPBLPGCHKOFC-KCQAQPDRSA-N 1 3 373.419 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCOC2CCC2)CC[N@@H+]1C ZINC001089643079 991232448 /nfs/dbraw/zinc/23/24/48/991232448.db2.gz RRVWGJKVJJNKIY-ZHALLVOQSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCOC2CCC2)CC[N@H+]1C ZINC001089643079 991232458 /nfs/dbraw/zinc/23/24/58/991232458.db2.gz RRVWGJKVJJNKIY-ZHALLVOQSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198591 991873593 /nfs/dbraw/zinc/87/35/93/991873593.db2.gz IOMDFIMHXJDVBK-FFZOFVMBSA-N 1 3 361.505 2.708 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC001080017802 992654137 /nfs/dbraw/zinc/65/41/37/992654137.db2.gz VTBNXNVIOAVXHE-NRSPTQNISA-N 1 3 357.542 2.786 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C ZINC001080017802 992654139 /nfs/dbraw/zinc/65/41/39/992654139.db2.gz VTBNXNVIOAVXHE-NRSPTQNISA-N 1 3 357.542 2.786 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001080787839 993373466 /nfs/dbraw/zinc/37/34/66/993373466.db2.gz VDEQNBJITMCDSX-YLJYHZDGSA-N 1 3 355.526 2.671 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935473 993489169 /nfs/dbraw/zinc/48/91/69/993489169.db2.gz WISZMBFMXTZFIE-YVWKXTFCSA-N 1 3 357.542 2.872 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935473 993489172 /nfs/dbraw/zinc/48/91/72/993489172.db2.gz WISZMBFMXTZFIE-YVWKXTFCSA-N 1 3 357.542 2.872 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131454176 994262129 /nfs/dbraw/zinc/26/21/29/994262129.db2.gz ONKTWGIPUBJTNJ-AQNXPRMDSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001131512181 994356100 /nfs/dbraw/zinc/35/61/00/994356100.db2.gz RIWAFAAIKPPNMK-MOPGFXCFSA-N 1 3 365.562 2.503 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131583087 994428402 /nfs/dbraw/zinc/42/84/02/994428402.db2.gz OIWSUTNQQRPEEX-CTNGQTDRSA-N 1 3 367.578 2.894 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727089219 994466940 /nfs/dbraw/zinc/46/69/40/994466940.db2.gz PIBXHMLPQWHYSL-FQEVSTJZSA-N 1 3 372.582 2.696 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000810175348 994723754 /nfs/dbraw/zinc/72/37/54/994723754.db2.gz IFGRWPIRHFATNA-WMZOPIPTSA-N 1 3 359.514 2.506 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000810175348 994723769 /nfs/dbraw/zinc/72/37/69/994723769.db2.gz IFGRWPIRHFATNA-WMZOPIPTSA-N 1 3 359.514 2.506 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C)sn1 ZINC001082512325 994760688 /nfs/dbraw/zinc/76/06/88/994760688.db2.gz YNMUHCMDYKJXHE-RHSMWYFYSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)c1ccccc1F ZINC001082617232 995082375 /nfs/dbraw/zinc/08/23/75/995082375.db2.gz DISORGPXVLIDCU-JTDSTZFVSA-N 1 3 359.489 2.952 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCc1ccccc1F ZINC001082663407 995201962 /nfs/dbraw/zinc/20/19/62/995201962.db2.gz MYFSITDGWSOILB-YSGRDPCXSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC2CCC2)CC[N@@H+]1C ZINC001054042172 1015928838 /nfs/dbraw/zinc/92/88/38/1015928838.db2.gz QNJUOBCZAUBBTE-TYCQWZJGSA-N 1 3 355.526 2.670 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CC2CCC2)CC[N@H+]1C ZINC001054042172 1015928847 /nfs/dbraw/zinc/92/88/47/1015928847.db2.gz QNJUOBCZAUBBTE-TYCQWZJGSA-N 1 3 355.526 2.670 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1 ZINC000903490764 1015930889 /nfs/dbraw/zinc/93/08/89/1015930889.db2.gz GXLFYNAMUBBCBD-DWLFOUALSA-N 1 3 352.478 2.638 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1 ZINC000903490764 1015930897 /nfs/dbraw/zinc/93/08/97/1015930897.db2.gz GXLFYNAMUBBCBD-DWLFOUALSA-N 1 3 352.478 2.638 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC001082724949 995362502 /nfs/dbraw/zinc/36/25/02/995362502.db2.gz YRYLRSCLBBPPAD-CDHQVMDDSA-N 1 3 356.514 2.691 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082742737 995400598 /nfs/dbraw/zinc/40/05/98/995400598.db2.gz PTPRNUGRLHDCFI-FRQCXROJSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082742737 995400601 /nfs/dbraw/zinc/40/06/01/995400601.db2.gz PTPRNUGRLHDCFI-FRQCXROJSA-N 1 3 363.933 2.927 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001082744105 995403064 /nfs/dbraw/zinc/40/30/64/995403064.db2.gz SNCGSVDWGJCBFR-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1cc(F)ccc1F ZINC001082863722 995671800 /nfs/dbraw/zinc/67/18/00/995671800.db2.gz VLGHHDBHRCENHL-QWQRMKEZSA-N 1 3 363.452 2.558 20 0 FFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001082940842 995865799 /nfs/dbraw/zinc/86/57/99/995865799.db2.gz WSMANEVIQRWPIM-FOIQADDNSA-N 1 3 370.472 2.533 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001082941753 995877579 /nfs/dbraw/zinc/87/75/79/995877579.db2.gz KMNLNYXDZYJVSS-DNVCBOLYSA-N 1 3 365.468 2.777 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C)c1 ZINC001082942848 995879021 /nfs/dbraw/zinc/87/90/21/995879021.db2.gz YLWKBUJNFGGUHM-DYESRHJHSA-N 1 3 366.509 2.702 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001082943661 995881832 /nfs/dbraw/zinc/88/18/32/995881832.db2.gz VCFPMHNWDVTKQH-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)cc1 ZINC001096538332 1016001494 /nfs/dbraw/zinc/00/14/94/1016001494.db2.gz FWNPUXSHZXVVQF-CGXNFDGLSA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001096538332 1016001499 /nfs/dbraw/zinc/00/14/99/1016001499.db2.gz FWNPUXSHZXVVQF-CGXNFDGLSA-N 1 3 355.526 2.983 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084388014 996529486 /nfs/dbraw/zinc/52/94/86/996529486.db2.gz AEEIVKQHJNBMMW-NJDAHSKKSA-N 1 3 355.526 2.636 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084388014 996529491 /nfs/dbraw/zinc/52/94/91/996529491.db2.gz AEEIVKQHJNBMMW-NJDAHSKKSA-N 1 3 355.526 2.636 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]21 ZINC001084388014 996529493 /nfs/dbraw/zinc/52/94/93/996529493.db2.gz AEEIVKQHJNBMMW-NJDAHSKKSA-N 1 3 355.526 2.636 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001084388014 996529498 /nfs/dbraw/zinc/52/94/98/996529498.db2.gz AEEIVKQHJNBMMW-NJDAHSKKSA-N 1 3 355.526 2.636 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(OCC(F)F)cc3)CC2)CC1 ZINC001136941693 997105713 /nfs/dbraw/zinc/10/57/13/997105713.db2.gz CGVOPKFLRAMXNJ-UHFFFAOYSA-N 1 3 367.484 2.790 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1 ZINC001084773509 997296465 /nfs/dbraw/zinc/29/64/65/997296465.db2.gz SJALUSMIHQAIAF-SFHLNBCPSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)c1 ZINC001084773509 997296473 /nfs/dbraw/zinc/29/64/73/997296473.db2.gz SJALUSMIHQAIAF-SFHLNBCPSA-N 1 3 355.526 2.678 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001084831135 997579047 /nfs/dbraw/zinc/57/90/47/997579047.db2.gz ADLHCRYWBWPLFQ-NJDAHSKKSA-N 1 3 353.510 2.548 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001084831135 997579060 /nfs/dbraw/zinc/57/90/60/997579060.db2.gz ADLHCRYWBWPLFQ-NJDAHSKKSA-N 1 3 353.510 2.548 20 0 FFADHO c1cc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc2c1OCO2 ZINC000677237108 1016135915 /nfs/dbraw/zinc/13/59/15/1016135915.db2.gz AVUXKPXFCFUMQH-MSOLQXFVSA-N 1 3 358.482 2.680 20 0 FFADHO c1cc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc2c1OCO2 ZINC000677237108 1016135922 /nfs/dbraw/zinc/13/59/22/1016135922.db2.gz AVUXKPXFCFUMQH-MSOLQXFVSA-N 1 3 358.482 2.680 20 0 FFADHO CC[C@@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)N(CC)CC ZINC000844163365 997688870 /nfs/dbraw/zinc/68/88/70/997688870.db2.gz BKHNASNWLWWJSJ-SFHVURJKSA-N 1 3 361.486 2.654 20 0 FFADHO CC[C@H](C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)N(CC)CC ZINC000844163925 997707111 /nfs/dbraw/zinc/70/71/11/997707111.db2.gz PJEKPOJNVZZPJX-MAUKXSAKSA-N 1 3 361.486 2.654 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903789135 1016200268 /nfs/dbraw/zinc/20/02/68/1016200268.db2.gz PTKXWXIBMCFFJM-CRAIPNDOSA-N 1 3 359.514 2.712 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@@H]32)c1 ZINC001084962376 998371751 /nfs/dbraw/zinc/37/17/51/998371751.db2.gz LBNDUHFTWGFMRR-NJYVYQBISA-N 1 3 370.541 2.687 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@@H]32)c1 ZINC001084962376 998371759 /nfs/dbraw/zinc/37/17/59/998371759.db2.gz LBNDUHFTWGFMRR-NJYVYQBISA-N 1 3 370.541 2.687 20 0 FFADHO C[N@@H+]1CCC[C@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001273255369 998722838 /nfs/dbraw/zinc/72/28/38/998722838.db2.gz PNZLALPQNJCZII-PMPSAXMXSA-N 1 3 361.452 2.736 20 0 FFADHO C[N@H+]1CCC[C@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001273255369 998722842 /nfs/dbraw/zinc/72/28/42/998722842.db2.gz PNZLALPQNJCZII-PMPSAXMXSA-N 1 3 361.452 2.736 20 0 FFADHO C[N@@H+]1CCC[C@@H](CC(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273256041 998723880 /nfs/dbraw/zinc/72/38/80/998723880.db2.gz SPEHWHXEHOUDLR-RXVVDRJESA-N 1 3 358.530 2.561 20 0 FFADHO C[N@H+]1CCC[C@@H](CC(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273256041 998723882 /nfs/dbraw/zinc/72/38/82/998723882.db2.gz SPEHWHXEHOUDLR-RXVVDRJESA-N 1 3 358.530 2.561 20 0 FFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033244 998724592 /nfs/dbraw/zinc/72/45/92/998724592.db2.gz XGULNGBKHUORCW-FUHIMQAGSA-N 1 3 353.526 2.922 20 0 FFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033244 998724597 /nfs/dbraw/zinc/72/45/97/998724597.db2.gz XGULNGBKHUORCW-FUHIMQAGSA-N 1 3 353.526 2.922 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C3CCN(Cc4ccccn4)CC3)CC2)CC[N@@H+]1C ZINC001000156746 1016250932 /nfs/dbraw/zinc/25/09/32/1016250932.db2.gz IFTYTMZYNGBMGZ-VQTJNVASSA-N 1 3 370.541 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C3CCN(Cc4ccccn4)CC3)CC2)CC[N@H+]1C ZINC001000156746 1016250937 /nfs/dbraw/zinc/25/09/37/1016250937.db2.gz IFTYTMZYNGBMGZ-VQTJNVASSA-N 1 3 370.541 2.673 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCCN(c3ccc(OC(F)F)cc3)C1=O)C2 ZINC000903843914 1016253993 /nfs/dbraw/zinc/25/39/93/1016253993.db2.gz WTFXGYNCOIRFKP-HPZZRFSDSA-N 1 3 365.424 2.595 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1)N1CCCCC1 ZINC001085199000 999150867 /nfs/dbraw/zinc/15/08/67/999150867.db2.gz RZYNLSSJKYIYPO-IAGOWNOFSA-N 1 3 364.559 2.925 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC001085217698 999184387 /nfs/dbraw/zinc/18/43/87/999184387.db2.gz MIVFLXPZAGUMRG-AQNXPRMDSA-N 1 3 358.530 2.781 20 0 FFADHO Cc1c(C[C@H](CN)C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cnn1C ZINC000903915121 1016304981 /nfs/dbraw/zinc/30/49/81/1016304981.db2.gz NFCJZEPOHKPFAE-MAODMQOUSA-N 1 3 374.504 2.837 20 0 FFADHO Cc1c(C[C@H](CN)C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cnn1C ZINC000903915121 1016304990 /nfs/dbraw/zinc/30/49/90/1016304990.db2.gz NFCJZEPOHKPFAE-MAODMQOUSA-N 1 3 374.504 2.837 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC001085310631 999340967 /nfs/dbraw/zinc/34/09/67/999340967.db2.gz HUSHBLOVMMGWFA-CWLKWCNXSA-N 1 3 364.559 2.699 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)sn1 ZINC001085310631 999340971 /nfs/dbraw/zinc/34/09/71/999340971.db2.gz HUSHBLOVMMGWFA-CWLKWCNXSA-N 1 3 364.559 2.699 20 0 FFADHO Cc1c(C[C@H](CN)C[NH2+]CCc2ccccc2OC(F)(F)F)cnn1C ZINC000903922807 1016308220 /nfs/dbraw/zinc/30/82/20/1016308220.db2.gz FFJCPCWMYZNMHO-CQSZACIVSA-N 1 3 370.419 2.577 20 0 FFADHO CC[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2)OC ZINC001096609147 1016349092 /nfs/dbraw/zinc/34/90/92/1016349092.db2.gz KFTWMSIIOHYIIM-UMGGQSCQSA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2)OC ZINC001096609147 1016349100 /nfs/dbraw/zinc/34/91/00/1016349100.db2.gz KFTWMSIIOHYIIM-UMGGQSCQSA-N 1 3 359.514 2.508 20 0 FFADHO CC(C)c1cccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086090854 999761536 /nfs/dbraw/zinc/76/15/36/999761536.db2.gz URZBXUZZTBARAX-ZAWLATJESA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)c1cccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086090854 999761537 /nfs/dbraw/zinc/76/15/37/999761537.db2.gz URZBXUZZTBARAX-ZAWLATJESA-N 1 3 358.530 2.530 20 0 FFADHO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c(-c2cccs2)n1 ZINC000903980121 1016354960 /nfs/dbraw/zinc/35/49/60/1016354960.db2.gz IMTFNMVXPLTYPU-HDICACEKSA-N 1 3 371.554 2.549 20 0 FFADHO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c(-c2cccs2)n1 ZINC000903980121 1016354970 /nfs/dbraw/zinc/35/49/70/1016354970.db2.gz IMTFNMVXPLTYPU-HDICACEKSA-N 1 3 371.554 2.549 20 0 FFADHO Fc1ccc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903980155 1016356720 /nfs/dbraw/zinc/35/67/20/1016356720.db2.gz KHSOZOCYQBVEPW-BGYRXZFFSA-N 1 3 369.488 2.616 20 0 FFADHO Fc1ccc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903980155 1016356731 /nfs/dbraw/zinc/35/67/31/1016356731.db2.gz KHSOZOCYQBVEPW-BGYRXZFFSA-N 1 3 369.488 2.616 20 0 FFADHO CCOCc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1OC ZINC000903980655 1016357982 /nfs/dbraw/zinc/35/79/82/1016357982.db2.gz XEJUFCYCLBRUQG-OYRHEFFESA-N 1 3 373.541 2.632 20 0 FFADHO CCOCc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1OC ZINC000903980655 1016357994 /nfs/dbraw/zinc/35/79/94/1016357994.db2.gz XEJUFCYCLBRUQG-OYRHEFFESA-N 1 3 373.541 2.632 20 0 FFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903980473 1016358430 /nfs/dbraw/zinc/35/84/30/1016358430.db2.gz SNQABCUVUCHJKG-OYRHEFFESA-N 1 3 365.525 2.786 20 0 FFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903980473 1016358437 /nfs/dbraw/zinc/35/84/37/1016358437.db2.gz SNQABCUVUCHJKG-OYRHEFFESA-N 1 3 365.525 2.786 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCOC1 ZINC001096609845 1016364386 /nfs/dbraw/zinc/36/43/86/1016364386.db2.gz XKADKGJQELOMEA-OFCAXSSNSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCOC1 ZINC001096609845 1016364400 /nfs/dbraw/zinc/36/44/00/1016364400.db2.gz XKADKGJQELOMEA-OFCAXSSNSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)C(=O)C1CCN(C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC001144713803 1000203700 /nfs/dbraw/zinc/20/37/00/1000203700.db2.gz YTULMZBAGUEYGN-UHFFFAOYSA-N 1 3 368.525 2.933 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001109399208 1000382148 /nfs/dbraw/zinc/38/21/48/1000382148.db2.gz BWGZDWULTSMLQS-YRPNKDGESA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001109399208 1000382154 /nfs/dbraw/zinc/38/21/54/1000382154.db2.gz BWGZDWULTSMLQS-YRPNKDGESA-N 1 3 365.562 2.501 20 0 FFADHO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)C3)c(C)c1 ZINC001109406094 1000393362 /nfs/dbraw/zinc/39/33/62/1000393362.db2.gz NNQDSTRIWZORFG-IVAOSVALSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)C3)c(C)c1 ZINC001109406094 1000393366 /nfs/dbraw/zinc/39/33/66/1000393366.db2.gz NNQDSTRIWZORFG-IVAOSVALSA-N 1 3 355.526 2.865 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C3OCCO3)C2)CC1 ZINC000769304764 1000489478 /nfs/dbraw/zinc/48/94/78/1000489478.db2.gz DYNHVTCVJPJLFW-FQEVSTJZSA-N 1 3 373.541 2.804 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](C3OCCO3)C2)CC1 ZINC000769304764 1000489483 /nfs/dbraw/zinc/48/94/83/1000489483.db2.gz DYNHVTCVJPJLFW-FQEVSTJZSA-N 1 3 373.541 2.804 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2cccnc21 ZINC001109652602 1000786669 /nfs/dbraw/zinc/78/66/69/1000786669.db2.gz BQODNITWHSSHPX-AABGKKOBSA-N 1 3 366.509 2.798 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737702 1001183374 /nfs/dbraw/zinc/18/33/74/1001183374.db2.gz HTDAEIPKNLYHJA-UCOYSFQNSA-N 1 3 367.537 2.820 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737702 1001183379 /nfs/dbraw/zinc/18/33/79/1001183379.db2.gz HTDAEIPKNLYHJA-UCOYSFQNSA-N 1 3 367.537 2.820 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC(C)C)C1 ZINC001112585566 1001536365 /nfs/dbraw/zinc/53/63/65/1001536365.db2.gz FMKRQKDXKUXGKS-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001095499298 1016515388 /nfs/dbraw/zinc/51/53/88/1016515388.db2.gz XSORQJUHKWVVSA-LTIDMASMSA-N 1 3 355.473 2.628 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001095499298 1016515397 /nfs/dbraw/zinc/51/53/97/1016515397.db2.gz XSORQJUHKWVVSA-LTIDMASMSA-N 1 3 355.473 2.628 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001092011957 1002281144 /nfs/dbraw/zinc/28/11/44/1002281144.db2.gz JFSNHWYIFQXPAJ-YIMJFYMZSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001092011957 1002281156 /nfs/dbraw/zinc/28/11/56/1002281156.db2.gz JFSNHWYIFQXPAJ-YIMJFYMZSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092013481 1002287465 /nfs/dbraw/zinc/28/74/65/1002287465.db2.gz SAGNMFCDPVIVSJ-DWLFOUALSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092013481 1002287473 /nfs/dbraw/zinc/28/74/73/1002287473.db2.gz SAGNMFCDPVIVSJ-DWLFOUALSA-N 1 3 355.526 2.617 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@]2(C)C1)N(C)C ZINC001092021875 1002298393 /nfs/dbraw/zinc/29/83/93/1002298393.db2.gz LEGZGMSGDQIURM-URVUXULASA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@@]2(C)C1)N(C)C ZINC001092021875 1002298395 /nfs/dbraw/zinc/29/83/95/1002298395.db2.gz LEGZGMSGDQIURM-URVUXULASA-N 1 3 357.542 2.924 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4cccc(Cl)c4)C[C@@]3(C)C2)C1 ZINC001092272978 1002578476 /nfs/dbraw/zinc/57/84/76/1002578476.db2.gz KFCJVAKESFJLNM-HLIPFELVSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4cccc(Cl)c4)C[C@@]3(C)C2)C1 ZINC001092272978 1002578485 /nfs/dbraw/zinc/57/84/85/1002578485.db2.gz KFCJVAKESFJLNM-HLIPFELVSA-N 1 3 361.917 2.572 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300033 1002627489 /nfs/dbraw/zinc/62/74/89/1002627489.db2.gz PXOINKPPQCXVMQ-IRLDBZIGSA-N 1 3 370.541 2.546 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncccc3C)C[C@@]2(C)C1 ZINC001092301398 1002631270 /nfs/dbraw/zinc/63/12/70/1002631270.db2.gz GWWKVOSRZCBXKR-CBQOVEMMSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncccc3C)C[C@@]2(C)C1 ZINC001092301398 1002631273 /nfs/dbraw/zinc/63/12/73/1002631273.db2.gz GWWKVOSRZCBXKR-CBQOVEMMSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC000677968367 1016670090 /nfs/dbraw/zinc/67/00/90/1016670090.db2.gz IQHDZVMOGUGTNE-IRXDYDNUSA-N 1 3 360.420 2.953 20 0 FFADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001170427987 1003311950 /nfs/dbraw/zinc/31/19/50/1003311950.db2.gz ZNMPLCLPFBOMOU-FHWLQOOXSA-N 1 3 360.498 2.969 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775486869 1003966744 /nfs/dbraw/zinc/96/67/44/1003966744.db2.gz FROBRVDJGBHINX-YLJYHZDGSA-N 1 3 362.481 2.663 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1)C12CCC[NH+](CCC1)C2 ZINC001095605799 1016844392 /nfs/dbraw/zinc/84/43/92/1016844392.db2.gz DOUXKDOBKMUHJE-NEWSRXKRSA-N 1 3 373.566 2.888 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC001095606129 1016843615 /nfs/dbraw/zinc/84/36/15/1016843615.db2.gz SLMMRDLGMGGMFI-AABGKKOBSA-N 1 3 353.510 2.784 20 0 FFADHO CCc1c(Br)cccc1C(=O)N(CC[NH+](CC)CC)C(=N)N ZINC001192432030 1004157772 /nfs/dbraw/zinc/15/77/72/1004157772.db2.gz OFNLMZVNIXHXSD-UHFFFAOYSA-N 1 3 369.307 2.689 20 0 FFADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446087 1004171417 /nfs/dbraw/zinc/17/14/17/1004171417.db2.gz VUTLINCAUQWKBP-NJYVYQBISA-N 1 3 355.526 2.831 20 0 FFADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446087 1004171427 /nfs/dbraw/zinc/17/14/27/1004171427.db2.gz VUTLINCAUQWKBP-NJYVYQBISA-N 1 3 355.526 2.831 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)CC[N@@H+]1C ZINC001050051442 1016875776 /nfs/dbraw/zinc/87/57/76/1016875776.db2.gz WCWHJLUIZVJVFZ-MCYKXBRJSA-N 1 3 359.489 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)CC[N@H+]1C ZINC001050051442 1016875792 /nfs/dbraw/zinc/87/57/92/1016875792.db2.gz WCWHJLUIZVJVFZ-MCYKXBRJSA-N 1 3 359.489 2.589 20 0 FFADHO Cc1nc(Cl)nnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170526308 1004608637 /nfs/dbraw/zinc/60/86/37/1004608637.db2.gz SMEKQKGPDAPDQJ-UHFFFAOYSA-N 1 3 370.888 2.743 20 0 FFADHO Cn1ccc2cnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc21 ZINC001170525524 1004615031 /nfs/dbraw/zinc/61/50/31/1004615031.db2.gz QUSKAFCAULNEPY-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(C)C)c2ccccc2OC)CC[N@@H+]1C ZINC001198743161 1004720483 /nfs/dbraw/zinc/72/04/83/1004720483.db2.gz WQFGUTFADNCZNN-GBESFXJTSA-N 1 3 361.530 2.828 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(C)C)c2ccccc2OC)CC[N@H+]1C ZINC001198743161 1004720489 /nfs/dbraw/zinc/72/04/89/1004720489.db2.gz WQFGUTFADNCZNN-GBESFXJTSA-N 1 3 361.530 2.828 20 0 FFADHO COc1cc(Cl)ccc1CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001488524501 1005359226 /nfs/dbraw/zinc/35/92/26/1005359226.db2.gz BPUICSRXHQWEGW-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC=C(Cl)Cl ZINC001489052631 1005407064 /nfs/dbraw/zinc/40/70/64/1005407064.db2.gz JFRSHRHCHOATNK-KGLIPLIRSA-N 1 3 350.334 2.864 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC=C(Cl)Cl ZINC001489052631 1005407065 /nfs/dbraw/zinc/40/70/65/1005407065.db2.gz JFRSHRHCHOATNK-KGLIPLIRSA-N 1 3 350.334 2.864 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000813824645 1006045125 /nfs/dbraw/zinc/04/51/25/1006045125.db2.gz ZTUYYOWIQWHCGE-HGHGUNKESA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000813824645 1006045139 /nfs/dbraw/zinc/04/51/39/1006045139.db2.gz ZTUYYOWIQWHCGE-HGHGUNKESA-N 1 3 361.505 2.978 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]21 ZINC001188107070 1006413963 /nfs/dbraw/zinc/41/39/63/1006413963.db2.gz GOUHUSXOWOKGAG-XUVXKRRUSA-N 1 3 361.505 2.708 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]21 ZINC001188107070 1006413970 /nfs/dbraw/zinc/41/39/70/1006413970.db2.gz GOUHUSXOWOKGAG-XUVXKRRUSA-N 1 3 361.505 2.708 20 0 FFADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001273566304 1006658018 /nfs/dbraw/zinc/65/80/18/1006658018.db2.gz QKLMLYDYFIFQID-AQNXPRMDSA-N 1 3 363.521 2.860 20 0 FFADHO CC[C@@H](F)CN(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001273566304 1006658026 /nfs/dbraw/zinc/65/80/26/1006658026.db2.gz QKLMLYDYFIFQID-AQNXPRMDSA-N 1 3 363.521 2.860 20 0 FFADHO Cn1cc(-c2ccnc(C3CC[NH+](CC[C@@H]4CCCCN4C)CC3)n2)cn1 ZINC000854102411 1006680984 /nfs/dbraw/zinc/68/09/84/1006680984.db2.gz HYZFTGBSPYKOMH-IBGZPJMESA-N 1 3 368.529 2.931 20 0 FFADHO Cn1nc2c(c1C[NH2+]CC1CCN(Cc3ccncc3)CC1)CSCC2 ZINC000883167299 1006682659 /nfs/dbraw/zinc/68/26/59/1006682659.db2.gz VGTQHRWOKGXYAA-UHFFFAOYSA-N 1 3 371.554 2.606 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000854335198 1006783850 /nfs/dbraw/zinc/78/38/50/1006783850.db2.gz WVROFUZVRGTNHK-FUHWJXTLSA-N 1 3 369.594 2.873 20 0 FFADHO COc1cccc([C@H](C)N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)c1 ZINC001188963723 1006825473 /nfs/dbraw/zinc/82/54/73/1006825473.db2.gz PSOBWQXCUNRULD-XKGZKEIXSA-N 1 3 359.514 2.631 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCOCC1)N(C)C ZINC001110693198 1007047822 /nfs/dbraw/zinc/04/78/22/1007047822.db2.gz FZIGULTUMPHJFC-ZRNYENFQSA-N 1 3 365.562 2.501 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCOCC1)N(C)C ZINC001110693198 1007047832 /nfs/dbraw/zinc/04/78/32/1007047832.db2.gz FZIGULTUMPHJFC-ZRNYENFQSA-N 1 3 365.562 2.501 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc([C@H](C)O)cc3)CC2)CC1 ZINC000816898971 1007247961 /nfs/dbraw/zinc/24/79/61/1007247961.db2.gz KWOWQTOCLVPWQF-KRWDZBQOSA-N 1 3 373.541 2.552 20 0 FFADHO C[NH2+]CCOc1cccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000884306315 1007364815 /nfs/dbraw/zinc/36/48/15/1007364815.db2.gz ASYFILMLPCHDEA-FQEVSTJZSA-N 1 3 367.493 2.631 20 0 FFADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817960513 1007826654 /nfs/dbraw/zinc/82/66/54/1007826654.db2.gz MIZPIESESDMSAX-FUHWJXTLSA-N 1 3 363.502 2.520 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001086820018 1007895837 /nfs/dbraw/zinc/89/58/37/1007895837.db2.gz LZVGPJMJDUNFAZ-ZCNNSNEGSA-N 1 3 365.562 2.550 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3cccc(F)c3)cc2)CC1 ZINC000818956119 1007994571 /nfs/dbraw/zinc/99/45/71/1007994571.db2.gz IUHUPDLOPYGSFS-JOCHJYFZSA-N 1 3 371.500 2.786 20 0 FFADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1C(F)(F)F ZINC000819062465 1008035218 /nfs/dbraw/zinc/03/52/18/1008035218.db2.gz QHBJBPBBSJKFRL-QAPCUYQASA-N 1 3 372.431 2.972 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819134985 1008039721 /nfs/dbraw/zinc/03/97/21/1008039721.db2.gz QVUFGZVEVHHCME-QKLQHJQFSA-N 1 3 369.550 2.601 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819134985 1008039725 /nfs/dbraw/zinc/03/97/25/1008039725.db2.gz QVUFGZVEVHHCME-QKLQHJQFSA-N 1 3 369.550 2.601 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748709 1008378436 /nfs/dbraw/zinc/37/84/36/1008378436.db2.gz PHRNVHKQLBRCER-QRVBRYPASA-N 1 3 365.562 2.786 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748709 1008378437 /nfs/dbraw/zinc/37/84/37/1008378437.db2.gz PHRNVHKQLBRCER-QRVBRYPASA-N 1 3 365.562 2.786 20 0 FFADHO CC(C)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000886588156 1008757047 /nfs/dbraw/zinc/75/70/47/1008757047.db2.gz LYXAGQKJPKJYRB-RTWAWAEBSA-N 1 3 356.514 2.864 20 0 FFADHO CC(C)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000886588156 1008757057 /nfs/dbraw/zinc/75/70/57/1008757057.db2.gz LYXAGQKJPKJYRB-RTWAWAEBSA-N 1 3 356.514 2.864 20 0 FFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966122 1008842212 /nfs/dbraw/zinc/84/22/12/1008842212.db2.gz CZPNMFBZSKYACB-YLJYHZDGSA-N 1 3 369.550 2.555 20 0 FFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966122 1008842230 /nfs/dbraw/zinc/84/22/30/1008842230.db2.gz CZPNMFBZSKYACB-YLJYHZDGSA-N 1 3 369.550 2.555 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966122 1008842242 /nfs/dbraw/zinc/84/22/42/1008842242.db2.gz CZPNMFBZSKYACB-YLJYHZDGSA-N 1 3 369.550 2.555 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCCCCNC/C(Cl)=C/Cl)CC[N@@H+]1C ZINC001178517997 1009014857 /nfs/dbraw/zinc/01/48/57/1009014857.db2.gz DUUDQYNMIQASCV-IZZNSQBKSA-N 1 3 350.334 2.912 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCCCCNC/C(Cl)=C/Cl)CC[N@H+]1C ZINC001178517997 1009014868 /nfs/dbraw/zinc/01/48/68/1009014868.db2.gz DUUDQYNMIQASCV-IZZNSQBKSA-N 1 3 350.334 2.912 20 0 FFADHO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000130452377 1009338908 /nfs/dbraw/zinc/33/89/08/1009338908.db2.gz IYJRSGXDTDBGMC-MRXNPFEDSA-N 1 3 370.497 2.701 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001093025048 1009638825 /nfs/dbraw/zinc/63/88/25/1009638825.db2.gz NVYZYVAZVBGEDA-KBAYOESNSA-N 1 3 371.516 2.979 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001093025048 1009638830 /nfs/dbraw/zinc/63/88/30/1009638830.db2.gz NVYZYVAZVBGEDA-KBAYOESNSA-N 1 3 371.516 2.979 20 0 FFADHO Cc1cc(N2CCN(C(=O)[C@@H](C)N3CCCC3)CC2)c2ccccc2[nH+]1 ZINC001180580907 1009737569 /nfs/dbraw/zinc/73/75/69/1009737569.db2.gz VCZYNOXTNTVENR-QGZVFWFLSA-N 1 3 352.482 2.676 20 0 FFADHO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001180543964 1009740913 /nfs/dbraw/zinc/74/09/13/1009740913.db2.gz QVLDGDYFMQUMDF-FUHIMQAGSA-N 1 3 353.526 2.920 20 0 FFADHO CN(CC(=O)NCCCP(CCC[NH3+])c1ccccc1)C1CCCC1 ZINC001180630115 1009776867 /nfs/dbraw/zinc/77/68/67/1009776867.db2.gz DTCFWBIHXJQYHX-UHFFFAOYSA-N 1 3 363.486 2.523 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)N1CCOC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC001182232275 1010442530 /nfs/dbraw/zinc/44/25/30/1010442530.db2.gz BUNIJXNDQXOVJV-VQTJNVASSA-N 1 3 361.530 2.639 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cccc(F)c1Cl ZINC001093673777 1010457545 /nfs/dbraw/zinc/45/75/45/1010457545.db2.gz XSRMMELMMMZARY-FRFSOERESA-N 1 3 367.896 2.757 20 0 FFADHO c1ncn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)n1 ZINC000774122587 1010480441 /nfs/dbraw/zinc/48/04/41/1010480441.db2.gz KCRPUZSLCWTRTD-MZADTFQBSA-N 1 3 374.492 2.948 20 0 FFADHO CCOc1cc(F)cc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)c1 ZINC000865431055 1010784557 /nfs/dbraw/zinc/78/45/57/1010784557.db2.gz AJLBLUMNVPVIHS-UHFFFAOYSA-N 1 3 358.461 2.661 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001094020565 1010786034 /nfs/dbraw/zinc/78/60/34/1010786034.db2.gz LMYUPCPIZLFTQF-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001094042379 1010804844 /nfs/dbraw/zinc/80/48/44/1010804844.db2.gz STJFUCDEDLONIZ-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001094044044 1010807140 /nfs/dbraw/zinc/80/71/40/1010807140.db2.gz KFVFKFKTIKLYRH-SJLPKXTDSA-N 1 3 361.505 2.742 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc3cccnc32)[C@H](C)C1)N(C)C ZINC001094049487 1010808060 /nfs/dbraw/zinc/80/80/60/1010808060.db2.gz WDNQGMKTTHSEGO-AHRSYUTCSA-N 1 3 368.525 2.759 20 0 FFADHO Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001094241680 1010985055 /nfs/dbraw/zinc/98/50/55/1010985055.db2.gz WSTKARWEHWBPFL-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000868211242 1011201902 /nfs/dbraw/zinc/20/19/02/1011201902.db2.gz JHDRRITXKFPWRS-XGHQBKJUSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@H](F)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857948 1011244809 /nfs/dbraw/zinc/24/48/09/1011244809.db2.gz XXVZOZUZWXFMEC-MLHJIOFPSA-N 1 3 353.526 2.968 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(C2COC2)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171522250 1011369012 /nfs/dbraw/zinc/36/90/12/1011369012.db2.gz VHKTYCAYYMMUIW-MGPQQGTHSA-N 1 3 354.416 2.932 20 0 FFADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)c3cccnc3)CC2)CC1(C)C ZINC001171626060 1011410047 /nfs/dbraw/zinc/41/00/47/1011410047.db2.gz UVIJGPPCYBFFBI-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO C[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)C1 ZINC001274385480 1011414216 /nfs/dbraw/zinc/41/42/16/1011414216.db2.gz UXUQDBCEGSTEFK-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO C[N@H+]1CCCC2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)C1 ZINC001274385480 1011414232 /nfs/dbraw/zinc/41/42/32/1011414232.db2.gz UXUQDBCEGSTEFK-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000645292420 1011424686 /nfs/dbraw/zinc/42/46/86/1011424686.db2.gz UDQHOZAOPZFHGI-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000645292420 1011424690 /nfs/dbraw/zinc/42/46/90/1011424690.db2.gz UDQHOZAOPZFHGI-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H]1C[C@H](N2CCN(CC[NH3+])CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171814722 1011491804 /nfs/dbraw/zinc/49/18/04/1011491804.db2.gz XCKXVASZPYQRLF-PIIMJCKOSA-N 1 3 368.566 2.519 20 0 FFADHO NC(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172078817 1011614312 /nfs/dbraw/zinc/61/43/12/1011614312.db2.gz JCNZJZXCTHJJLQ-PMOLBWCYSA-N 1 3 356.514 2.705 20 0 FFADHO NC(=O)NC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172078817 1011614318 /nfs/dbraw/zinc/61/43/18/1011614318.db2.gz JCNZJZXCTHJJLQ-PMOLBWCYSA-N 1 3 356.514 2.705 20 0 FFADHO Cc1cc(N2CCN([C@H]3CCN4C(=O)CC[C@@H]4C3)CC2)c2ccccc2[nH+]1 ZINC001172164194 1011677320 /nfs/dbraw/zinc/67/73/20/1011677320.db2.gz UXOWPKVFYRLTEM-ZWKOTPCHSA-N 1 3 364.493 2.819 20 0 FFADHO O=C1CC[C@H]2C[C@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)CCN12 ZINC001172179539 1011685949 /nfs/dbraw/zinc/68/59/49/1011685949.db2.gz MROZWHSFYFTBMV-UXHICEINSA-N 1 3 353.510 2.738 20 0 FFADHO CCCN(CCNC1CC[NH+](CCCOC)CC1)C(=O)OC(C)(C)C ZINC001172246845 1011717872 /nfs/dbraw/zinc/71/78/72/1011717872.db2.gz WZGHDFRSVGFXET-UHFFFAOYSA-N 1 3 357.539 2.724 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646379111 1011888736 /nfs/dbraw/zinc/88/87/36/1011888736.db2.gz MLKRURCIPGSQGX-PCCBWWKXSA-N 1 3 370.541 2.532 20 0 FFADHO COC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001172732817 1011968677 /nfs/dbraw/zinc/96/86/77/1011968677.db2.gz YKINHAKAJTWDQD-DFQSSKMNSA-N 1 3 357.498 2.717 20 0 FFADHO CCCN1C[C@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172815406 1012036828 /nfs/dbraw/zinc/03/68/28/1012036828.db2.gz KNRACVAKLGMKGH-ZWKKMZQASA-N 1 3 361.530 2.967 20 0 FFADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000646604198 1012062823 /nfs/dbraw/zinc/06/28/23/1012062823.db2.gz YPBSHYQQRAFEBE-AZUAARDMSA-N 1 3 367.493 2.723 20 0 FFADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000646604198 1012062839 /nfs/dbraw/zinc/06/28/39/1012062839.db2.gz YPBSHYQQRAFEBE-AZUAARDMSA-N 1 3 367.493 2.723 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647179655 1012399734 /nfs/dbraw/zinc/39/97/34/1012399734.db2.gz JZMBZZOFBKESAJ-GOSISDBHSA-N 1 3 355.530 2.544 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804227 1012590376 /nfs/dbraw/zinc/59/03/76/1012590376.db2.gz LTDYZLDIWOHZSJ-HLLBOEOZSA-N 1 3 371.447 2.717 20 0 FFADHO CNC(=O)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Cc1ccc(C(F)(F)F)cc1 ZINC000647804227 1012590382 /nfs/dbraw/zinc/59/03/82/1012590382.db2.gz LTDYZLDIWOHZSJ-HLLBOEOZSA-N 1 3 371.447 2.717 20 0 FFADHO Cc1cc(NC(=O)CCC23CC(C2)C[NH2+]3)cc(N2CCN(C(C)C)CC2)c1 ZINC000870929532 1012640628 /nfs/dbraw/zinc/64/06/28/1012640628.db2.gz CXGMFUVLTCZART-UHFFFAOYSA-N 1 3 370.541 2.996 20 0 FFADHO CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC(N(CC)[C@H]3CCOC3)CC2)C1 ZINC001173658911 1012845161 /nfs/dbraw/zinc/84/51/61/1012845161.db2.gz SKJONIMZDUKHJE-NEWSRXKRSA-N 1 3 352.519 2.684 20 0 FFADHO Cc1csc(CN2CC[C@]3(C2)c2ccccc2N(CC[NH+](C)C)C3=O)n1 ZINC001275683321 1012855632 /nfs/dbraw/zinc/85/56/32/1012855632.db2.gz NQFGTASSYJLIJS-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO [NH3+]C1(c2cccc(Cl)c2)CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173740083 1012931961 /nfs/dbraw/zinc/93/19/61/1012931961.db2.gz ILYBVFLAWFAUFD-DLBZAZTESA-N 1 3 360.893 2.760 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)[C@@H](C1CC1)N1CCCC1 ZINC001097579838 1017660664 /nfs/dbraw/zinc/66/06/64/1017660664.db2.gz GVTHCJPSZIVJKM-YUMYIRISSA-N 1 3 367.537 2.825 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)[C@@H](C1CC1)N1CCCC1 ZINC001097579838 1017660674 /nfs/dbraw/zinc/66/06/74/1017660674.db2.gz GVTHCJPSZIVJKM-YUMYIRISSA-N 1 3 367.537 2.825 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001097579838 1017660678 /nfs/dbraw/zinc/66/06/78/1017660678.db2.gz GVTHCJPSZIVJKM-YUMYIRISSA-N 1 3 367.537 2.825 20 0 FFADHO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000925437730 1017740461 /nfs/dbraw/zinc/74/04/61/1017740461.db2.gz FMILHOCRIKYHEC-LEWJYISDSA-N 1 3 373.541 2.663 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3[C@@H]4CCCN[C@@H]4C3(C)C)C2)c1 ZINC000925552110 1017782769 /nfs/dbraw/zinc/78/27/69/1017782769.db2.gz IYYMPZJAYWKMEA-IDCXYZFESA-N 1 3 373.541 2.896 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097694894 1017806431 /nfs/dbraw/zinc/80/64/31/1017806431.db2.gz JWXCDISGEUZJGB-TVFCKZIOSA-N 1 3 369.500 2.875 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097694894 1017806452 /nfs/dbraw/zinc/80/64/52/1017806452.db2.gz JWXCDISGEUZJGB-TVFCKZIOSA-N 1 3 369.500 2.875 20 0 FFADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000925720424 1017823034 /nfs/dbraw/zinc/82/30/34/1017823034.db2.gz HKHXOEOOLPXPJY-WNRNVDISSA-N 1 3 360.502 2.925 20 0 FFADHO C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000925720424 1017823043 /nfs/dbraw/zinc/82/30/43/1017823043.db2.gz HKHXOEOOLPXPJY-WNRNVDISSA-N 1 3 360.502 2.925 20 0 FFADHO Fc1ccc([C@@H](NCCCCCN2CC[NH2+]CC2)c2ccccc2)nc1 ZINC000925843883 1017867895 /nfs/dbraw/zinc/86/78/95/1017867895.db2.gz HHXGQKRJRIVUPP-NRFANRHFSA-N 1 3 356.489 2.975 20 0 FFADHO COc1cccc2cc([C@H](C)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc21 ZINC000925849752 1017871606 /nfs/dbraw/zinc/87/16/06/1017871606.db2.gz FEAAYSLYGFMPAE-ZFWWWQNUSA-N 1 3 358.438 2.777 20 0 FFADHO C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000926136645 1017981533 /nfs/dbraw/zinc/98/15/33/1017981533.db2.gz LLAKNZCIKIQVDJ-DYESRHJHSA-N 1 3 366.509 2.985 20 0 FFADHO CCN1CC[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000926959868 1018306688 /nfs/dbraw/zinc/30/66/88/1018306688.db2.gz TWCCVZRTXTZIIJ-FPOVZHCZSA-N 1 3 359.558 2.988 20 0 FFADHO Fc1ccc(-c2ccc(CN3CCNC4(CC[NH2+]CC4)C3)cn2)c(F)c1 ZINC001222104819 1032761783 /nfs/dbraw/zinc/76/17/83/1032761783.db2.gz MKDVMJMPBMOCOA-UHFFFAOYSA-N 1 3 358.436 2.554 20 0 FFADHO CN(C)C1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CCCC1 ZINC001137495593 1018784882 /nfs/dbraw/zinc/78/48/82/1018784882.db2.gz AWRSKLHIJZKKFB-UHFFFAOYSA-N 1 3 359.514 2.704 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)cc2F)CC[N@@H+]1C ZINC001045044483 1019798027 /nfs/dbraw/zinc/79/80/27/1019798027.db2.gz KMHLHKVLECVFII-JENIJYKNSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)cc2F)CC[N@H+]1C ZINC001045044483 1019798046 /nfs/dbraw/zinc/79/80/46/1019798046.db2.gz KMHLHKVLECVFII-JENIJYKNSA-N 1 3 365.468 2.776 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)c1 ZINC000900286646 1020330964 /nfs/dbraw/zinc/33/09/64/1020330964.db2.gz NFNFASRXHZICQN-PZJWPPBQSA-N 1 3 371.525 2.793 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)c1 ZINC000900286646 1020330977 /nfs/dbraw/zinc/33/09/77/1020330977.db2.gz NFNFASRXHZICQN-PZJWPPBQSA-N 1 3 371.525 2.793 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902789402 1020479473 /nfs/dbraw/zinc/47/94/73/1020479473.db2.gz JJSLLUKCJYAYBT-RTOMLYRKSA-N 1 3 374.525 2.547 20 0 FFADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(NC2=NCCC2)cc1 ZINC000900684945 1020581748 /nfs/dbraw/zinc/58/17/48/1020581748.db2.gz JADSCXVFJBUWAW-LJQANCHMSA-N 1 3 370.497 2.664 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4ncccc4c3)C2)CC[N@@H+]1C ZINC001046331456 1020596582 /nfs/dbraw/zinc/59/65/82/1020596582.db2.gz LLZJVIMMGZSROG-PERKRYKHSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4ncccc4c3)C2)CC[N@H+]1C ZINC001046331456 1020596587 /nfs/dbraw/zinc/59/65/87/1020596587.db2.gz LLZJVIMMGZSROG-PERKRYKHSA-N 1 3 366.509 2.656 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001046331002 1020596626 /nfs/dbraw/zinc/59/66/26/1020596626.db2.gz ZIJBPFFMQCKIGN-QZNHQXDQSA-N 1 3 369.553 2.986 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001046331002 1020596632 /nfs/dbraw/zinc/59/66/32/1020596632.db2.gz ZIJBPFFMQCKIGN-QZNHQXDQSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3cc4ccccc4o3)C2)CC[N@@H+]1C ZINC001046331141 1020597506 /nfs/dbraw/zinc/59/75/06/1020597506.db2.gz FIJXXPVCURVBOJ-FPDPHYFHSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3cc4ccccc4o3)C2)CC[N@H+]1C ZINC001046331141 1020597513 /nfs/dbraw/zinc/59/75/13/1020597513.db2.gz FIJXXPVCURVBOJ-FPDPHYFHSA-N 1 3 355.482 2.854 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)cc1CN1CCCCC1 ZINC000903260589 1020767094 /nfs/dbraw/zinc/76/70/94/1020767094.db2.gz PLBHKXCXWLXVFQ-MDCZIUGASA-N 1 3 359.514 2.986 20 0 FFADHO CC[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000903340669 1020796010 /nfs/dbraw/zinc/79/60/10/1020796010.db2.gz XTEFIXNSSXSDIY-LRSLUSHPSA-N 1 3 357.542 2.740 20 0 FFADHO CN1CCC[C@H]1CC[NH+]1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000932792908 1020903019 /nfs/dbraw/zinc/90/30/19/1020903019.db2.gz KNJUAHPQJOMMCL-INIZCTEOSA-N 1 3 367.534 2.571 20 0 FFADHO CC[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2)OC ZINC001098459254 1020926029 /nfs/dbraw/zinc/92/60/29/1020926029.db2.gz FDGVVKZCSITQDM-WTGUMLROSA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2)OC ZINC001098459254 1020926032 /nfs/dbraw/zinc/92/60/32/1020926032.db2.gz FDGVVKZCSITQDM-WTGUMLROSA-N 1 3 359.514 2.508 20 0 FFADHO CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001111097170 1021743067 /nfs/dbraw/zinc/74/30/67/1021743067.db2.gz NSOOYDRNOVGSBM-NMLBUPMWSA-N 1 3 365.562 2.788 20 0 FFADHO CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001111097170 1021743080 /nfs/dbraw/zinc/74/30/80/1021743080.db2.gz NSOOYDRNOVGSBM-NMLBUPMWSA-N 1 3 365.562 2.788 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@@H+]1C ZINC001014504805 1021880218 /nfs/dbraw/zinc/88/02/18/1021880218.db2.gz XRXIGFGBRFHGAC-PCCBWWKXSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@H+]1C ZINC001014504805 1021880228 /nfs/dbraw/zinc/88/02/28/1021880228.db2.gz XRXIGFGBRFHGAC-PCCBWWKXSA-N 1 3 355.526 2.985 20 0 FFADHO C[NH2+][C@@H](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001117966232 1021996919 /nfs/dbraw/zinc/99/69/19/1021996919.db2.gz DRSSVAMFXGJJRY-JKSUJKDBSA-N 1 3 352.548 2.818 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001099317971 1022285674 /nfs/dbraw/zinc/28/56/74/1022285674.db2.gz ZJWWFJVQRVMFAZ-BZUAXINKSA-N 1 3 361.452 2.638 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001099497130 1022633023 /nfs/dbraw/zinc/63/30/23/1022633023.db2.gz SHRIOVWMBCCLSL-CUWPLCDZSA-N 1 3 361.505 2.884 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC ZINC001111268825 1022871988 /nfs/dbraw/zinc/87/19/88/1022871988.db2.gz CJKKUOYSASFZIT-MKXGPGLRSA-N 1 3 353.551 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000948384296 1023245947 /nfs/dbraw/zinc/24/59/47/1023245947.db2.gz ACSYATPJQGYIHK-NSISKUIASA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3cccc(F)c3)CC2)CC[N@H+]1C ZINC000948384296 1023245954 /nfs/dbraw/zinc/24/59/54/1023245954.db2.gz ACSYATPJQGYIHK-NSISKUIASA-N 1 3 361.505 2.979 20 0 FFADHO Cc1cccnc1CN1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948386353 1023246601 /nfs/dbraw/zinc/24/66/01/1023246601.db2.gz UXYCHTGRFXIXAY-GUDVDZBRSA-N 1 3 358.530 2.543 20 0 FFADHO Cc1cccnc1CN1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948386353 1023246609 /nfs/dbraw/zinc/24/66/09/1023246609.db2.gz UXYCHTGRFXIXAY-GUDVDZBRSA-N 1 3 358.530 2.543 20 0 FFADHO CC[C@H](C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)N(CC)CC ZINC000753120851 1023272835 /nfs/dbraw/zinc/27/28/35/1023272835.db2.gz HDXRFQLXXBJSII-LJQANCHMSA-N 1 3 361.530 2.875 20 0 FFADHO CC[C@H](C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)N(CC)CC ZINC000753120851 1023272840 /nfs/dbraw/zinc/27/28/40/1023272840.db2.gz HDXRFQLXXBJSII-LJQANCHMSA-N 1 3 361.530 2.875 20 0 FFADHO CCCCCN1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363224 1033123289 /nfs/dbraw/zinc/12/32/89/1033123289.db2.gz MDNIYTLWTZLIPD-VQTJNVASSA-N 1 3 365.562 2.743 20 0 FFADHO CCCCCN1C[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363224 1033123298 /nfs/dbraw/zinc/12/32/98/1033123298.db2.gz MDNIYTLWTZLIPD-VQTJNVASSA-N 1 3 365.562 2.743 20 0 FFADHO C[C@H](NC(=O)N(CCc1ccccc1)CCN(C)C)C(C)(C)C[NH+](C)C ZINC000754378216 1023463180 /nfs/dbraw/zinc/46/31/80/1023463180.db2.gz NIVACFTVHDPDLC-SFHVURJKSA-N 1 3 362.562 2.779 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1 ZINC001101443976 1024760175 /nfs/dbraw/zinc/76/01/75/1024760175.db2.gz RXCYKPPELHLWCC-KNQAVFIVSA-N 1 3 368.525 2.790 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1 ZINC001101443976 1024760182 /nfs/dbraw/zinc/76/01/82/1024760182.db2.gz RXCYKPPELHLWCC-KNQAVFIVSA-N 1 3 368.525 2.790 20 0 FFADHO O=C1[C@@H]2CCCCC[C@@H]2N1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779877311 1025182409 /nfs/dbraw/zinc/18/24/09/1025182409.db2.gz MFLWSEJRYBDMGJ-UXHICEINSA-N 1 3 363.546 2.559 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001101963003 1025218724 /nfs/dbraw/zinc/21/87/24/1025218724.db2.gz IJKUOQLEQUKEFC-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001101963003 1025218734 /nfs/dbraw/zinc/21/87/34/1025218734.db2.gz IJKUOQLEQUKEFC-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@H]1C)N(C)C ZINC001102087255 1025412406 /nfs/dbraw/zinc/41/24/06/1025412406.db2.gz RFRPTWCTYZSZKF-MBOZVWFJSA-N 1 3 360.546 2.729 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@H]1C)N(C)C ZINC001102087255 1025412409 /nfs/dbraw/zinc/41/24/09/1025412409.db2.gz RFRPTWCTYZSZKF-MBOZVWFJSA-N 1 3 360.546 2.729 20 0 FFADHO CC(C)CC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000638115853 1025708575 /nfs/dbraw/zinc/70/85/75/1025708575.db2.gz JXTARHPVIOSRJI-IEBWSBKVSA-N 1 3 361.530 2.766 20 0 FFADHO NS(=O)(=O)c1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000638313346 1025780006 /nfs/dbraw/zinc/78/00/06/1025780006.db2.gz UICUGIJRUXSVJJ-UHFFFAOYSA-N 1 3 373.522 2.610 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2C)C1 ZINC001102369906 1025827479 /nfs/dbraw/zinc/82/74/79/1025827479.db2.gz KCOOJOYESGMMIJ-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2C)C1 ZINC001102369906 1025827502 /nfs/dbraw/zinc/82/75/02/1025827502.db2.gz KCOOJOYESGMMIJ-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2Cl)C[C@H]1C)N(C)C ZINC001102381958 1025858872 /nfs/dbraw/zinc/85/88/72/1025858872.db2.gz JXLZWYANMSUOLT-SUMDDJOVSA-N 1 3 365.949 2.907 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2Cl)C[C@H]1C)N(C)C ZINC001102381958 1025858889 /nfs/dbraw/zinc/85/88/89/1025858889.db2.gz JXLZWYANMSUOLT-SUMDDJOVSA-N 1 3 365.949 2.907 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNCc2cccn(C(F)F)c2=O)cc1 ZINC000638520528 1025874718 /nfs/dbraw/zinc/87/47/18/1025874718.db2.gz JFLDPBPVRGHOPG-UHFFFAOYSA-N 1 3 365.424 2.864 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)Nc3ccc4c(c3)OCCNC4)ccc21 ZINC000638667900 1025925040 /nfs/dbraw/zinc/92/50/40/1025925040.db2.gz FPBVCTUXKWEGJW-UHFFFAOYSA-N 1 3 364.449 2.724 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001102475577 1026054560 /nfs/dbraw/zinc/05/45/60/1026054560.db2.gz USCYBQPRVQKNSK-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001102475577 1026054580 /nfs/dbraw/zinc/05/45/80/1026054580.db2.gz USCYBQPRVQKNSK-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CO[C@@](C)(CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000639162006 1026201957 /nfs/dbraw/zinc/20/19/57/1026201957.db2.gz ODDOVHKCNMDDND-VXKWHMMOSA-N 1 3 357.542 2.694 20 0 FFADHO CO[C@@](C)(CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000639162006 1026201966 /nfs/dbraw/zinc/20/19/66/1026201966.db2.gz ODDOVHKCNMDDND-VXKWHMMOSA-N 1 3 357.542 2.694 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000639190780 1026216465 /nfs/dbraw/zinc/21/64/65/1026216465.db2.gz CKBARKADASOHHP-FQEVSTJZSA-N 1 3 358.526 2.906 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccc(CC)cc2)C[C@H]1C ZINC001102525639 1026219109 /nfs/dbraw/zinc/21/91/09/1026219109.db2.gz MLYKSWSKRNKHSX-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@H]1C ZINC001102525639 1026219120 /nfs/dbraw/zinc/21/91/20/1026219120.db2.gz MLYKSWSKRNKHSX-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CO[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000639210098 1026231139 /nfs/dbraw/zinc/23/11/39/1026231139.db2.gz GXFHJSUQGRQCKN-NHCUHLMSSA-N 1 3 358.526 2.930 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001102531933 1026242625 /nfs/dbraw/zinc/24/26/25/1026242625.db2.gz MJAJVNXFCNXZAW-CRAIPNDOSA-N 1 3 358.530 2.915 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001102531933 1026242632 /nfs/dbraw/zinc/24/26/32/1026242632.db2.gz MJAJVNXFCNXZAW-CRAIPNDOSA-N 1 3 358.530 2.915 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1 ZINC001102600828 1026400779 /nfs/dbraw/zinc/40/07/79/1026400779.db2.gz WYUOVUYWTULYIS-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1 ZINC001102600828 1026400783 /nfs/dbraw/zinc/40/07/83/1026400783.db2.gz WYUOVUYWTULYIS-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000838701506 1026474406 /nfs/dbraw/zinc/47/44/06/1026474406.db2.gz BAIYPULVJFYMFH-UHFFFAOYSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001103088136 1026950294 /nfs/dbraw/zinc/95/02/94/1026950294.db2.gz WVNFBJMJUNNUTO-XPKDYRNWSA-N 1 3 362.345 2.720 20 0 FFADHO COc1ccc2nc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)ccc2c1 ZINC001158575694 1027064925 /nfs/dbraw/zinc/06/49/25/1027064925.db2.gz RLPCEMHNSLBMKG-UHFFFAOYSA-N 1 3 354.498 2.896 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cnc4cc[nH]c4n3)c3ccccc23)CC1 ZINC001159460051 1027398773 /nfs/dbraw/zinc/39/87/73/1027398773.db2.gz MIFCCEFDEROMNH-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001159786137 1027498798 /nfs/dbraw/zinc/49/87/98/1027498798.db2.gz WHLWWGIUDBQDNR-HNNXBMFYSA-N 1 3 356.804 2.944 20 0 FFADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(Cl)nc4c3CCNC4)c2c1 ZINC001160003948 1027560323 /nfs/dbraw/zinc/56/03/23/1027560323.db2.gz GDZDCELXLYWNIX-LBPRGKRZSA-N 1 3 355.873 2.918 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@]23CC[C@@H]2C[NH2+]C3)cc1 ZINC001160956446 1027946568 /nfs/dbraw/zinc/94/65/68/1027946568.db2.gz NETWHIWBVVYPHB-KNKQGSTJSA-N 1 3 371.525 2.508 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2CCCC[NH2+]C2)cc1 ZINC001160958016 1027947159 /nfs/dbraw/zinc/94/71/59/1027947159.db2.gz UDABPWWMCJFONU-VQTJNVASSA-N 1 3 373.541 2.898 20 0 FFADHO CN(CCN(C)C(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC001161160611 1028041556 /nfs/dbraw/zinc/04/15/56/1028041556.db2.gz CFJZWSJPDJWFSX-FCHUYYIVSA-N 1 3 365.521 2.970 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103755442 1028142523 /nfs/dbraw/zinc/14/25/23/1028142523.db2.gz HDEPHIKPNWCNPM-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103755442 1028142526 /nfs/dbraw/zinc/14/25/26/1028142526.db2.gz HDEPHIKPNWCNPM-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C ZINC001103756851 1028145025 /nfs/dbraw/zinc/14/50/25/1028145025.db2.gz CZSPOQFEWWTZGF-OAGGEKHMSA-N 1 3 363.468 2.887 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC001103756851 1028145032 /nfs/dbraw/zinc/14/50/32/1028145032.db2.gz CZSPOQFEWWTZGF-OAGGEKHMSA-N 1 3 363.468 2.887 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1C ZINC001103757137 1028145251 /nfs/dbraw/zinc/14/52/51/1028145251.db2.gz NKQRXJXUBNIAPV-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1C ZINC001103757137 1028145259 /nfs/dbraw/zinc/14/52/59/1028145259.db2.gz NKQRXJXUBNIAPV-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCCc1nc2cc(C(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)cc(C)c2[nH]1 ZINC001161453010 1028184139 /nfs/dbraw/zinc/18/41/39/1028184139.db2.gz WMKVCGJVCGJOHU-QGZVFWFLSA-N 1 3 371.529 2.580 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161576727 1028237877 /nfs/dbraw/zinc/23/78/77/1028237877.db2.gz SCGKKZGBRXXAMC-NJYVYQBISA-N 1 3 355.526 2.875 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161576727 1028237894 /nfs/dbraw/zinc/23/78/94/1028237894.db2.gz SCGKKZGBRXXAMC-NJYVYQBISA-N 1 3 355.526 2.875 20 0 FFADHO O=C(N1C2CCC1CC2)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001161605278 1028250191 /nfs/dbraw/zinc/25/01/91/1028250191.db2.gz VGJFUTOVZZRYDL-FYYGKBSSSA-N 1 3 353.510 2.642 20 0 FFADHO Clc1ccc(CC2(CNc3ncc4c(n3)CCNC4)CC[NH2+]CC2)cc1 ZINC001161992177 1028386056 /nfs/dbraw/zinc/38/60/56/1028386056.db2.gz HULVLQIXRKAJIZ-UHFFFAOYSA-N 1 3 371.916 2.800 20 0 FFADHO Cn1c2ccccc2cc(CNCc2ccc(OCC[NH+](C)C)cc2)c1=O ZINC000644430489 1028468081 /nfs/dbraw/zinc/46/80/81/1028468081.db2.gz NDWHRAQDCUGYMR-UHFFFAOYSA-N 1 3 365.477 2.769 20 0 FFADHO O=C(CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)Nc1ccccc1F ZINC000644601537 1028577933 /nfs/dbraw/zinc/57/79/33/1028577933.db2.gz VAHTYBRUQIDBRC-RTBURBONSA-N 1 3 363.477 2.512 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001155256233 1028645989 /nfs/dbraw/zinc/64/59/89/1028645989.db2.gz DIAXZMQNBSXDJR-CQSZACIVSA-N 1 3 351.454 2.819 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1ncc(OCC2CC[NH+](C)CC2)cn1 ZINC001162763144 1028648690 /nfs/dbraw/zinc/64/86/90/1028648690.db2.gz NHRTVPDSCYALRK-AWEZNQCLSA-N 1 3 366.469 2.556 20 0 FFADHO COc1cc2cnc(NCC3(N(C)C)CC[NH+](C)CC3)cc2cc1OC ZINC001156184825 1029081087 /nfs/dbraw/zinc/08/10/87/1029081087.db2.gz FBEYAFGXFFJWIB-UHFFFAOYSA-N 1 3 358.486 2.690 20 0 FFADHO CN1CCC(CNc2cc(Br)cc3cncn32)([NH+](C)C)CC1 ZINC001164216493 1029208283 /nfs/dbraw/zinc/20/82/83/1029208283.db2.gz DROHHOFHWSVWLR-UHFFFAOYSA-N 1 3 366.307 2.535 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782701 1029436500 /nfs/dbraw/zinc/43/65/00/1029436500.db2.gz UYPQXUCKIPDCON-ONTIZHBOSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782701 1029436511 /nfs/dbraw/zinc/43/65/11/1029436511.db2.gz UYPQXUCKIPDCON-ONTIZHBOSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)c1 ZINC001111858007 1029629295 /nfs/dbraw/zinc/62/92/95/1029629295.db2.gz JTXQPJHGDFIPRH-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO Cc1ccc(-c2ccc(N3CCN(CC4CC[NH+](C)CC4)CC3)nn2)cc1 ZINC001157841647 1029673968 /nfs/dbraw/zinc/67/39/68/1029673968.db2.gz IFEUXDURGGZJME-UHFFFAOYSA-N 1 3 365.525 2.916 20 0 FFADHO O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305285 1029791803 /nfs/dbraw/zinc/79/18/03/1029791803.db2.gz FBYNIOQSFCNMBU-PZJWPPBQSA-N 1 3 361.489 2.528 20 0 FFADHO [NH3+][C@H](CC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1)Cc1c[nH]c2ccccc12 ZINC001158336475 1029801499 /nfs/dbraw/zinc/80/14/99/1029801499.db2.gz LYEUZOWHTBWCOQ-RBDMOPTHSA-N 1 3 374.488 2.526 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=S)NCC2CC[NH+](C)CC2)C1 ZINC000840810743 1029887050 /nfs/dbraw/zinc/88/70/50/1029887050.db2.gz WBEOGDAVTLLJDJ-GOSISDBHSA-N 1 3 374.598 2.657 20 0 FFADHO Fc1ccc(O[C@H]2CC[NH2+]C2)c(NC2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001165213471 1029902099 /nfs/dbraw/zinc/90/20/99/1029902099.db2.gz DQJICNWFWURHOK-MSOLQXFVSA-N 1 3 361.461 2.747 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001112166451 1030131533 /nfs/dbraw/zinc/13/15/33/1030131533.db2.gz VJGGPXYKXNDMBT-RBSFLKMASA-N 1 3 363.468 2.743 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001112182134 1030165989 /nfs/dbraw/zinc/16/59/89/1030165989.db2.gz QTOSXYFXDAWVTJ-HZPDHXFCSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841876442 1030515056 /nfs/dbraw/zinc/51/50/56/1030515056.db2.gz FKZFHYIETTWTCH-LAUBAEHRSA-N 1 3 366.509 2.508 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](CO)Cc2ccoc2)CC1 ZINC001203491197 1030728388 /nfs/dbraw/zinc/72/83/88/1030728388.db2.gz IMNUCQUINRXAIJ-FQEVSTJZSA-N 1 3 371.525 2.752 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCCCO2)C1 ZINC001112437038 1030807266 /nfs/dbraw/zinc/80/72/66/1030807266.db2.gz UIZGGLBDDKZHLD-UEXGIBASSA-N 1 3 365.562 2.504 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccs2)C1 ZINC001112438456 1030810851 /nfs/dbraw/zinc/81/08/51/1030810851.db2.gz FKXGSQMEHKRZMA-KXBFYZLASA-N 1 3 364.559 2.592 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccs2)C1 ZINC001112438456 1030810869 /nfs/dbraw/zinc/81/08/69/1030810869.db2.gz FKXGSQMEHKRZMA-KXBFYZLASA-N 1 3 364.559 2.592 20 0 FFADHO c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CN4CCC[C@@H]4CO3)CC23CC3)cc1 ZINC000842677938 1030893715 /nfs/dbraw/zinc/89/37/15/1030893715.db2.gz NBALXRXDSKLBRN-HBMCJLEFSA-N 1 3 355.526 2.636 20 0 FFADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000796753418 1030905812 /nfs/dbraw/zinc/90/58/12/1030905812.db2.gz MIAROHPVVBVHQE-IBGZPJMESA-N 1 3 358.486 2.534 20 0 FFADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000796753418 1030905821 /nfs/dbraw/zinc/90/58/21/1030905821.db2.gz MIAROHPVVBVHQE-IBGZPJMESA-N 1 3 358.486 2.534 20 0 FFADHO CC(=O)Nc1ccc(CN2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203925270 1030986744 /nfs/dbraw/zinc/98/67/44/1030986744.db2.gz ZPMVUSBYFDCMFN-PMACEKPBSA-N 1 3 350.466 2.604 20 0 FFADHO COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142909223 1031036731 /nfs/dbraw/zinc/03/67/31/1031036731.db2.gz TWFNHCWXIGCLFQ-SZPZYZBQSA-N 1 3 364.489 2.966 20 0 FFADHO COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142909223 1031036746 /nfs/dbraw/zinc/03/67/46/1031036746.db2.gz TWFNHCWXIGCLFQ-SZPZYZBQSA-N 1 3 364.489 2.966 20 0 FFADHO Cc1c(F)cc(F)cc1CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276443178 1031122494 /nfs/dbraw/zinc/12/24/94/1031122494.db2.gz UTEOZDROTXZSNL-HXUWFJFHSA-N 1 3 365.468 2.792 20 0 FFADHO Cc1ccc(N2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)cc1 ZINC001204622016 1031392689 /nfs/dbraw/zinc/39/26/89/1031392689.db2.gz WQBQNTNTDNHEBI-UHFFFAOYSA-N 1 3 350.510 2.727 20 0 FFADHO CN(C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000798485161 1031430150 /nfs/dbraw/zinc/43/01/50/1031430150.db2.gz POSXLBWXXGYQBI-IRLDBZIGSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000798485161 1031430155 /nfs/dbraw/zinc/43/01/55/1031430155.db2.gz POSXLBWXXGYQBI-IRLDBZIGSA-N 1 3 370.541 2.777 20 0 FFADHO [NH3+]C[C@]1(O)CCCN(Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001205228926 1031612123 /nfs/dbraw/zinc/61/21/23/1031612123.db2.gz KGFSJELJJYHBLI-INIZCTEOSA-N 1 3 352.276 2.606 20 0 FFADHO [NH3+]C[C@]1(O)CCCN(Cc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC001205230209 1031612955 /nfs/dbraw/zinc/61/29/55/1031612955.db2.gz QZPCBSFMJFWJSW-AWEZNQCLSA-N 1 3 352.784 2.914 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1c1ccc(F)cc1 ZINC001205312778 1031665006 /nfs/dbraw/zinc/66/50/06/1031665006.db2.gz FOOUSTODJXIMIT-RBUKOAKNSA-N 1 3 358.461 2.866 20 0 FFADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCCC2)sn1 ZINC001115543739 1031817939 /nfs/dbraw/zinc/81/79/39/1031817939.db2.gz YEVXJPFURMLOIN-NVXWUHKLSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCCC2)sn1 ZINC001115543739 1031817956 /nfs/dbraw/zinc/81/79/56/1031817956.db2.gz YEVXJPFURMLOIN-NVXWUHKLSA-N 1 3 364.559 2.700 20 0 FFADHO C[C@H]1CCN(Cc2cc3c(cc2Br)OCO3)CC[C@H]1C[NH3+] ZINC001205617608 1031875995 /nfs/dbraw/zinc/87/59/95/1031875995.db2.gz LKSQTIPJXFIAPI-RYUDHWBXSA-N 1 3 355.276 2.985 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CC2)C1 ZINC001205630017 1031885784 /nfs/dbraw/zinc/88/57/84/1031885784.db2.gz MKFLZWVZNBQDNK-PKOBYXMFSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1F ZINC001205657457 1031910558 /nfs/dbraw/zinc/91/05/58/1031910558.db2.gz DMGYDWJGGMNFIQ-DKSSEZFCSA-N 1 3 358.461 2.722 20 0 FFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(C/C=C\c3ccccc3)[C@H]2C1 ZINC001223387641 1033419943 /nfs/dbraw/zinc/41/99/43/1033419943.db2.gz KLXMQFRVXJZBJS-KFAOPYMTSA-N 1 3 355.526 2.964 20 0 FFADHO Cc1ccc([C@H](C(=O)Nc2cccc3c2CNC3)N2CCC[NH2+]CC2)cc1 ZINC001218993895 1033447405 /nfs/dbraw/zinc/44/74/05/1033447405.db2.gz XQEHGYLRJXAGDY-OAQYLSRUSA-N 1 3 364.493 2.573 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001219029850 1033477844 /nfs/dbraw/zinc/47/78/44/1033477844.db2.gz QJXSAURLEDRDQT-QFBILLFUSA-N 1 3 351.450 2.848 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001223585761 1033504774 /nfs/dbraw/zinc/50/47/74/1033504774.db2.gz XYQQERNEVZQFNM-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO Cc1cn(-c2ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc2F)cn1 ZINC001219083061 1033512752 /nfs/dbraw/zinc/51/27/52/1033512752.db2.gz HWWNRKLXGMZJNM-KRWDZBQOSA-N 1 3 361.465 2.754 20 0 FFADHO N[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233799 1033564902 /nfs/dbraw/zinc/56/49/02/1033564902.db2.gz WNUZTPNADRKRAG-NQIIRXRSSA-N 1 3 366.509 2.903 20 0 FFADHO CC(=O)O[C@@H]1C[C@@H]2C[C@H](O[C@@H](CC[NH+](C)C)c3ccccc3)C[C@H]1N2C ZINC001224133881 1033733479 /nfs/dbraw/zinc/73/34/79/1033733479.db2.gz ODBVJELWWBMKDN-JRSUCEMESA-N 1 3 360.498 2.863 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224169741 1033749947 /nfs/dbraw/zinc/74/99/47/1033749947.db2.gz PJFBPVRHONETBG-QRVBRYPASA-N 1 3 353.526 2.923 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001220161531 1034015714 /nfs/dbraw/zinc/01/57/14/1034015714.db2.gz CYFYEUVHHDNCPO-JQVVWYNYSA-N 1 3 357.542 2.892 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC001220501559 1034226467 /nfs/dbraw/zinc/22/64/67/1034226467.db2.gz QSSFVHKXICDCLF-OALUTQOASA-N 1 3 355.482 2.550 20 0 FFADHO CCCn1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)n1 ZINC001202840840 1034406032 /nfs/dbraw/zinc/40/60/32/1034406032.db2.gz YPUFUQFGDWQEJW-UHFFFAOYSA-N 1 3 356.514 2.718 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001220804551 1034406823 /nfs/dbraw/zinc/40/68/23/1034406823.db2.gz OMVLOBAHDKIAFK-XHSDSOJGSA-N 1 3 371.447 2.511 20 0 FFADHO C[NH+](C)CCN1c2ccccc2[C@@]2(CCN(Cc3ccc(Cl)o3)C2)C1=O ZINC001277083342 1034453166 /nfs/dbraw/zinc/45/31/66/1034453166.db2.gz FQGJSRWSKONSEP-FQEVSTJZSA-N 1 3 373.884 2.985 20 0 FFADHO N[C@@H](CC1CCCC1)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976979 1034486806 /nfs/dbraw/zinc/48/68/06/1034486806.db2.gz VSQLNOGYNJRFJE-IBGZPJMESA-N 1 3 361.505 2.762 20 0 FFADHO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)[C@@H]2C[C@@H](F)CCN2)CC1 ZINC001221089042 1034541266 /nfs/dbraw/zinc/54/12/66/1034541266.db2.gz FIIUPVDVQNIWNX-GJZGRUSLSA-N 1 3 373.394 2.572 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)cc1 ZINC001138770615 1034637467 /nfs/dbraw/zinc/63/74/67/1034637467.db2.gz LTDKIMPWAKIIDN-SFTDATJTSA-N 1 3 371.525 2.602 20 0 FFADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)c1 ZINC001221402522 1034715459 /nfs/dbraw/zinc/71/54/59/1034715459.db2.gz CEXJWYOVXNQJRW-UFYCRDLUSA-N 1 3 353.466 2.695 20 0 FFADHO N[C@@H](CC(=O)N[C@H](C1CCC1)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001221411099 1034721502 /nfs/dbraw/zinc/72/15/02/1034721502.db2.gz UGVFEJDPUODLDC-DOTOQJQBSA-N 1 3 355.404 2.600 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC001226565006 1034738499 /nfs/dbraw/zinc/73/84/99/1034738499.db2.gz SNXSQCBOQVHRFU-KZNAEPCWSA-N 1 3 364.509 2.587 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCC(C)C ZINC001226613955 1034757909 /nfs/dbraw/zinc/75/79/09/1034757909.db2.gz OFVBQVRRMZNRHE-VAMGGRTRSA-N 1 3 367.578 2.941 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC001226782735 1034837057 /nfs/dbraw/zinc/83/70/57/1034837057.db2.gz QTVFOIXBMHAWJD-QZTJIDSGSA-N 1 3 365.468 2.966 20 0 FFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1)C1CC1 ZINC001226801165 1034846431 /nfs/dbraw/zinc/84/64/31/1034846431.db2.gz UEYSUJOMYIUDEG-NJYVYQBISA-N 1 3 357.542 2.976 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001221772215 1035054495 /nfs/dbraw/zinc/05/44/95/1035054495.db2.gz OVKRZFJCVCRZCH-UYAOXDASSA-N 1 3 355.526 2.678 20 0 FFADHO CCC1(C[NH+]2CCC3(C[C@H](COC)N(Cc4ccccn4)C3)CC2)COC1 ZINC001202936922 1035115246 /nfs/dbraw/zinc/11/52/46/1035115246.db2.gz PPPCVYFBQINBSN-HXUWFJFHSA-N 1 3 373.541 2.811 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CCN(CCCCCOC)C[C@H]21)C(C)C ZINC001221878003 1035130801 /nfs/dbraw/zinc/13/08/01/1035130801.db2.gz WDTYCTBYZGQMAR-VAMGGRTRSA-N 1 3 367.578 2.702 20 0 FFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccnnc1)CC2 ZINC001139982149 1035296958 /nfs/dbraw/zinc/29/69/58/1035296958.db2.gz DEBJTCYDWYCPLG-QGZVFWFLSA-N 1 3 358.511 2.794 20 0 FFADHO COc1c(Cl)cccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001140062581 1035327996 /nfs/dbraw/zinc/32/79/96/1035327996.db2.gz CWAKHYQRNYDTTL-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO C[C@H](CCCNCc1cc(O)ccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277193948 1035490297 /nfs/dbraw/zinc/49/02/97/1035490297.db2.gz QEFWMRDORJPWPT-CKEIUWERSA-N 1 3 367.921 2.760 20 0 FFADHO C[C@H](CCCNCc1cc(O)ccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277193948 1035490300 /nfs/dbraw/zinc/49/03/00/1035490300.db2.gz QEFWMRDORJPWPT-CKEIUWERSA-N 1 3 367.921 2.760 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1)C1CCC1 ZINC001227900067 1035794111 /nfs/dbraw/zinc/79/41/11/1035794111.db2.gz HBMZJCVJCLSQES-GUDVDZBRSA-N 1 3 365.562 2.693 20 0 FFADHO CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3cncc4cnccc43)C2)C1 ZINC001232647957 1035906035 /nfs/dbraw/zinc/90/60/35/1035906035.db2.gz MEXBVXICPXVVPT-OAQYLSRUSA-N 1 3 354.498 2.953 20 0 FFADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3cncc4cnccc43)C2)C1 ZINC001232647957 1035906040 /nfs/dbraw/zinc/90/60/40/1035906040.db2.gz MEXBVXICPXVVPT-OAQYLSRUSA-N 1 3 354.498 2.953 20 0 FFADHO Cc1ccc(CN2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)c(Cl)c1 ZINC001140797223 1036170789 /nfs/dbraw/zinc/17/07/89/1036170789.db2.gz PJWWOTTWVJGBDW-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001228932259 1036415904 /nfs/dbraw/zinc/41/59/04/1036415904.db2.gz LFBPYDILMOXJAY-GUDVDZBRSA-N 1 3 353.551 2.695 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@H]2C)N(C)C)cc1 ZINC001228953126 1036428665 /nfs/dbraw/zinc/42/86/65/1036428665.db2.gz GJHOHAXVPCQMON-QAPCUYQASA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@H]2C)N(C)C)cc1 ZINC001228953126 1036428671 /nfs/dbraw/zinc/42/86/71/1036428671.db2.gz GJHOHAXVPCQMON-QAPCUYQASA-N 1 3 364.559 2.795 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001229180014 1036535495 /nfs/dbraw/zinc/53/54/95/1036535495.db2.gz CEESWIUPYMRTNN-VAMGGRTRSA-N 1 3 367.578 2.942 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC001229212942 1036556184 /nfs/dbraw/zinc/55/61/84/1036556184.db2.gz FQWIFYMQSIODAA-RTBURBONSA-N 1 3 365.493 2.563 20 0 FFADHO Cc1cc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)sc1C ZINC001233663660 1036711055 /nfs/dbraw/zinc/71/10/55/1036711055.db2.gz AMDUSSJHXMEZSJ-UHFFFAOYSA-N 1 3 359.539 2.689 20 0 FFADHO Cc1cc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)sc1C ZINC001233663660 1036711070 /nfs/dbraw/zinc/71/10/70/1036711070.db2.gz AMDUSSJHXMEZSJ-UHFFFAOYSA-N 1 3 359.539 2.689 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OC)cc1 ZINC001229877004 1036954501 /nfs/dbraw/zinc/95/45/01/1036954501.db2.gz IYNDBWCMCFVEEM-WOJBJXKFSA-N 1 3 361.530 2.597 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CC/C=C/c2ccccc2)CC[N@@H+]1C ZINC001234402168 1037022524 /nfs/dbraw/zinc/02/25/24/1037022524.db2.gz IZQYCGIXVMONPE-SRDLOIQWSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CC/C=C/c2ccccc2)CC[N@H+]1C ZINC001234402168 1037022539 /nfs/dbraw/zinc/02/25/39/1037022539.db2.gz IZQYCGIXVMONPE-SRDLOIQWSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001230206319 1037149472 /nfs/dbraw/zinc/14/94/72/1037149472.db2.gz HHWKNAXLWNXBAD-HOJAQTOUSA-N 1 3 362.562 2.765 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)s1 ZINC001230279702 1037192260 /nfs/dbraw/zinc/19/22/60/1037192260.db2.gz FUCPQNQYJKNATD-HZPDHXFCSA-N 1 3 352.548 2.617 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C)c1ccccc1 ZINC001230284784 1037195221 /nfs/dbraw/zinc/19/52/21/1037195221.db2.gz VBUKTZSZNIMGTC-AQNXPRMDSA-N 1 3 361.530 2.731 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](CC(C)(C)CN(C)C)C[C@@H]12 ZINC001207282367 1037314033 /nfs/dbraw/zinc/31/40/33/1037314033.db2.gz OJVZPKAVUXTCJB-IRLDBZIGSA-N 1 3 357.542 2.839 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CC(C)(C)CN(C)C)C[C@@H]12 ZINC001207282367 1037314038 /nfs/dbraw/zinc/31/40/38/1037314038.db2.gz OJVZPKAVUXTCJB-IRLDBZIGSA-N 1 3 357.542 2.839 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@]1(c2ccccc2)CC1(C)C ZINC001230858865 1037380943 /nfs/dbraw/zinc/38/09/43/1037380943.db2.gz PFRNXUCVTWBSPQ-UWJYYQICSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@]1(c2ccccc2)CC1(C)C ZINC001230858865 1037380956 /nfs/dbraw/zinc/38/09/56/1037380956.db2.gz PFRNXUCVTWBSPQ-UWJYYQICSA-N 1 3 360.546 2.883 20 0 FFADHO COC(=O)[C@H]1CCCN(C2CC[NH+](CCc3ccc(OC)cc3)CC2)C1 ZINC001207479166 1037476676 /nfs/dbraw/zinc/47/66/76/1037476676.db2.gz QLMVCPRHXBNKHB-SFHVURJKSA-N 1 3 360.498 2.587 20 0 FFADHO COc1ccc(CC[NH+]2CCC(N3CCC(C(=O)N(C)C)CC3)CC2)cc1 ZINC001207478879 1037477521 /nfs/dbraw/zinc/47/75/21/1037477521.db2.gz KOZGZIHBOFMGOV-UHFFFAOYSA-N 1 3 373.541 2.502 20 0 FFADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2CCc1cccc(Br)c1 ZINC001207506544 1037503899 /nfs/dbraw/zinc/50/38/99/1037503899.db2.gz LEQSKHLJTYZZES-MSOLQXFVSA-N 1 3 366.347 2.702 20 0 FFADHO c1ccc(O[C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)[C@@H]3CCCO[C@@H]32)nc1 ZINC001235542677 1037616012 /nfs/dbraw/zinc/61/60/12/1037616012.db2.gz YIBUSWRJOUMJEX-URVUXULASA-N 1 3 365.477 2.538 20 0 FFADHO CCOC(=O)C1(C(F)(F)F)CCN(CC2CC[NH+](CC)CC2)CC1 ZINC001207696734 1037661600 /nfs/dbraw/zinc/66/16/00/1037661600.db2.gz UVOUKKIWDRJILP-UHFFFAOYSA-N 1 3 350.425 2.926 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001235695637 1037690264 /nfs/dbraw/zinc/69/02/64/1037690264.db2.gz XUEMWRLOFUZJBC-GOSISDBHSA-N 1 3 359.514 2.650 20 0 FFADHO C[NH+]1CCC(CN2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001235791644 1037747186 /nfs/dbraw/zinc/74/71/86/1037747186.db2.gz BGPKVKGPQAIVCZ-QGZVFWFLSA-N 1 3 352.320 2.737 20 0 FFADHO CCOC(=O)c1ccc(CCC[N@H+](CCCOC)[C@@H]2CCCNC2)cc1 ZINC001235798435 1037749096 /nfs/dbraw/zinc/74/90/96/1037749096.db2.gz YWFWEYDHWLXQRV-HXUWFJFHSA-N 1 3 362.514 2.886 20 0 FFADHO CCOC(=O)c1ccc(CCC[N@@H+](CCCOC)[C@@H]2CCCNC2)cc1 ZINC001235798435 1037749102 /nfs/dbraw/zinc/74/91/02/1037749102.db2.gz YWFWEYDHWLXQRV-HXUWFJFHSA-N 1 3 362.514 2.886 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3c(C)onc3-c3ccccc3)C[C@H]1CNCC2 ZINC001236039731 1037902787 /nfs/dbraw/zinc/90/27/87/1037902787.db2.gz YRRNVVHCOPOJPQ-DYESRHJHSA-N 1 3 369.465 2.625 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3c(C)onc3-c3ccccc3)C[C@H]1CNCC2 ZINC001236039731 1037902800 /nfs/dbraw/zinc/90/28/00/1037902800.db2.gz YRRNVVHCOPOJPQ-DYESRHJHSA-N 1 3 369.465 2.625 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN(Cc3cccc(Oc4ccc(O)cc4)c3)C2)C1 ZINC001236079832 1037924236 /nfs/dbraw/zinc/92/42/36/1037924236.db2.gz ZGRBQRGTCKVMIX-SFHVURJKSA-N 1 3 353.466 2.792 20 0 FFADHO CN(CCC(=O)c1cccs1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001236100743 1037934431 /nfs/dbraw/zinc/93/44/31/1037934431.db2.gz GTWXENXOISELOR-UHFFFAOYSA-N 1 3 357.523 2.858 20 0 FFADHO CN(Cc1ccc2c(c1)CC[NH2+]C2)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001236233885 1037996720 /nfs/dbraw/zinc/99/67/20/1037996720.db2.gz KTFFSLOBLUKPGP-HSZRJFAPSA-N 1 3 365.521 2.665 20 0 FFADHO C[C@@H](CC(F)(F)F)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001255652476 1038107066 /nfs/dbraw/zinc/10/70/66/1038107066.db2.gz HSIISHPKDJKLGK-GVDBMIGSSA-N 1 3 363.468 2.588 20 0 FFADHO C[C@@H](CC(F)(F)F)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001255652476 1038107073 /nfs/dbraw/zinc/10/70/73/1038107073.db2.gz HSIISHPKDJKLGK-GVDBMIGSSA-N 1 3 363.468 2.588 20 0 FFADHO COc1cccc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)n1 ZINC001236536909 1038125029 /nfs/dbraw/zinc/12/50/29/1038125029.db2.gz QJOUEXHLFFURKV-UHFFFAOYSA-N 1 3 353.466 2.779 20 0 FFADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001208217113 1038144683 /nfs/dbraw/zinc/14/46/83/1038144683.db2.gz IRJPZKVBAVYEJJ-GOSISDBHSA-N 1 3 355.567 2.704 20 0 FFADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001208217113 1038144691 /nfs/dbraw/zinc/14/46/91/1038144691.db2.gz IRJPZKVBAVYEJJ-GOSISDBHSA-N 1 3 355.567 2.704 20 0 FFADHO Cc1c(Br)cccc1CN1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001236607566 1038151271 /nfs/dbraw/zinc/15/12/71/1038151271.db2.gz OGQBIJYBEMEMSY-ZWKOTPCHSA-N 1 3 366.347 2.968 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC001232150315 1038200139 /nfs/dbraw/zinc/20/01/39/1038200139.db2.gz UGJGXWVSAZCUFP-OAQYLSRUSA-N 1 3 353.441 2.983 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC001232150315 1038200151 /nfs/dbraw/zinc/20/01/51/1038200151.db2.gz UGJGXWVSAZCUFP-OAQYLSRUSA-N 1 3 353.441 2.983 20 0 FFADHO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C2 ZINC001232150268 1038200248 /nfs/dbraw/zinc/20/02/48/1038200248.db2.gz QYBHNTGGCKKCLE-WOJBJXKFSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C2 ZINC001232150268 1038200251 /nfs/dbraw/zinc/20/02/51/1038200251.db2.gz QYBHNTGGCKKCLE-WOJBJXKFSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@]12CCCO[C@@H]1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232150268 1038200262 /nfs/dbraw/zinc/20/02/62/1038200262.db2.gz QYBHNTGGCKKCLE-WOJBJXKFSA-N 1 3 350.478 2.905 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255998098 1038303770 /nfs/dbraw/zinc/30/37/70/1038303770.db2.gz SCWLZQALFSJZND-NNZMDNLPSA-N 1 3 368.518 2.647 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255998098 1038303782 /nfs/dbraw/zinc/30/37/82/1038303782.db2.gz SCWLZQALFSJZND-NNZMDNLPSA-N 1 3 368.518 2.647 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCc2scnc2C)C[C@H]1C)[NH+](CC)CC ZINC001208575281 1038422404 /nfs/dbraw/zinc/42/24/04/1038422404.db2.gz MLFUVMIDMLVHAF-DJIMGWMZSA-N 1 3 366.575 2.551 20 0 FFADHO COC(=O)[C@H](C)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001208714045 1038497318 /nfs/dbraw/zinc/49/73/18/1038497318.db2.gz RVSOYDRNTROEES-MJGOQNOKSA-N 1 3 360.498 2.551 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cc(Cl)ccc2F)C2CC2)CC[N@@H+]1C ZINC001276588598 1038535962 /nfs/dbraw/zinc/53/59/62/1038535962.db2.gz KFQILPVRLQEODF-XHBKTUGNSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cc(Cl)ccc2F)C2CC2)CC[N@H+]1C ZINC001276588598 1038535970 /nfs/dbraw/zinc/53/59/70/1038535970.db2.gz KFQILPVRLQEODF-XHBKTUGNSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2)CCN1Cc1ccccc1 ZINC001256530242 1038546120 /nfs/dbraw/zinc/54/61/20/1038546120.db2.gz AMBZSIKELMBXDK-TYPHKJRUSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1C[C@H](NCc2ccccc2-n2cnnn2)CC[N@@H+]1Cc1ccccc1 ZINC001256529532 1038546383 /nfs/dbraw/zinc/54/63/83/1038546383.db2.gz URIFEGBUGYXKBU-YLJYHZDGSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@@H]1C[C@H](NCc2ccccc2-n2cnnn2)CC[N@H+]1Cc1ccccc1 ZINC001256529532 1038546388 /nfs/dbraw/zinc/54/63/88/1038546388.db2.gz URIFEGBUGYXKBU-YLJYHZDGSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@H]1C[C@@H](NCCOc2ccc(C(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256529302 1038546612 /nfs/dbraw/zinc/54/66/12/1038546612.db2.gz SAPLAEWCTVOOMQ-PXNSSMCTSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@H]1C[C@@H](NCCOc2ccc(C(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256529302 1038546619 /nfs/dbraw/zinc/54/66/19/1038546619.db2.gz SAPLAEWCTVOOMQ-PXNSSMCTSA-N 1 3 367.493 2.807 20 0 FFADHO c1ccc(CN2CCC(N(c3ccncn3)C3CC[NH2+]CC3)CC2)cc1 ZINC001256612596 1038581637 /nfs/dbraw/zinc/58/16/37/1038581637.db2.gz NNSZUGJKAGPXJT-UHFFFAOYSA-N 1 3 351.498 2.700 20 0 FFADHO COCCC1([NH3+])CCN(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001256664649 1038597406 /nfs/dbraw/zinc/59/74/06/1038597406.db2.gz JFILBHYOCHGBFZ-UHFFFAOYSA-N 1 3 369.550 2.994 20 0 FFADHO CCOC(=O)[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256681144 1038600374 /nfs/dbraw/zinc/60/03/74/1038600374.db2.gz LSCWTZMUALPNBY-SOAGJPPSSA-N 1 3 360.498 2.566 20 0 FFADHO C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001256683417 1038601307 /nfs/dbraw/zinc/60/13/07/1038601307.db2.gz AQNBHKCKEOFJPO-VKDMSYRKSA-N 1 3 352.906 2.995 20 0 FFADHO C[N@H+](Cc1cncc(Br)c1)C1CCC(N2CCOCC2)CC1 ZINC001256689508 1038603389 /nfs/dbraw/zinc/60/33/89/1038603389.db2.gz AKUHXSBPWMJRAX-UHFFFAOYSA-N 1 3 368.319 2.919 20 0 FFADHO C[N@@H+](Cc1cncc(Br)c1)C1CCC(N2CCOCC2)CC1 ZINC001256689508 1038603393 /nfs/dbraw/zinc/60/33/93/1038603393.db2.gz AKUHXSBPWMJRAX-UHFFFAOYSA-N 1 3 368.319 2.919 20 0 FFADHO Cc1ccnc(O[C@@H]2CC[N@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)n1 ZINC001208962066 1038607638 /nfs/dbraw/zinc/60/76/38/1038607638.db2.gz HECUETXLGUWMOB-VQTJNVASSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1ccnc(O[C@@H]2CC[N@@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)n1 ZINC001208962066 1038607639 /nfs/dbraw/zinc/60/76/39/1038607639.db2.gz HECUETXLGUWMOB-VQTJNVASSA-N 1 3 352.482 2.760 20 0 FFADHO c1coc(CN2CCO[C@@H]3CN([C@@H]4CCC[N@@H+](C5CCCC5)C4)C[C@@H]3C2)c1 ZINC001256919692 1038657606 /nfs/dbraw/zinc/65/76/06/1038657606.db2.gz VJRLVGDUSCWTIB-CZTZKLFOSA-N 1 3 373.541 2.819 20 0 FFADHO c1coc(CN2CCO[C@@H]3CN([C@@H]4CCC[N@H+](C5CCCC5)C4)C[C@@H]3C2)c1 ZINC001256919692 1038657609 /nfs/dbraw/zinc/65/76/09/1038657609.db2.gz VJRLVGDUSCWTIB-CZTZKLFOSA-N 1 3 373.541 2.819 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001209134297 1038677788 /nfs/dbraw/zinc/67/77/88/1038677788.db2.gz MNNHHJXCSAPCMP-WSTZPKSXSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001278987023 1038686433 /nfs/dbraw/zinc/68/64/33/1038686433.db2.gz MMCHEEMAMIAJGY-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001278987023 1038686439 /nfs/dbraw/zinc/68/64/39/1038686439.db2.gz MMCHEEMAMIAJGY-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCC(C)(C)OC(C)=O)C2 ZINC001209150898 1038687961 /nfs/dbraw/zinc/68/79/61/1038687961.db2.gz KURSIKOIDNSKIY-FPOVZHCZSA-N 1 3 366.546 2.789 20 0 FFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCC(C)(C)OC(C)=O)C2 ZINC001209150898 1038687962 /nfs/dbraw/zinc/68/79/62/1038687962.db2.gz KURSIKOIDNSKIY-FPOVZHCZSA-N 1 3 366.546 2.789 20 0 FFADHO CCCCc1ccc(CN2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)s1 ZINC001278988329 1038694026 /nfs/dbraw/zinc/69/40/26/1038694026.db2.gz DQKYGJMZGPKCCA-ROUUACIJSA-N 1 3 361.555 2.733 20 0 FFADHO CCCCc1ccc(CN2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)s1 ZINC001278988329 1038694029 /nfs/dbraw/zinc/69/40/29/1038694029.db2.gz DQKYGJMZGPKCCA-ROUUACIJSA-N 1 3 361.555 2.733 20 0 FFADHO C[C@@H]1CC([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)C[C@@H](C)O1 ZINC001257092696 1038707572 /nfs/dbraw/zinc/70/75/72/1038707572.db2.gz GQFRYWHWJKNVIV-RTBURBONSA-N 1 3 373.541 2.952 20 0 FFADHO CC(C)[NH+]1CCC(N2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)CC1 ZINC001257217004 1038747224 /nfs/dbraw/zinc/74/72/24/1038747224.db2.gz QENUDHPTTZRNLY-NJYVYQBISA-N 1 3 361.530 2.816 20 0 FFADHO Clc1cc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)ccn1 ZINC001279004203 1038757531 /nfs/dbraw/zinc/75/75/31/1038757531.db2.gz IEVJOOZAFLGACW-UHFFFAOYSA-N 1 3 359.905 2.920 20 0 FFADHO Clc1cc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)ccn1 ZINC001279004203 1038757535 /nfs/dbraw/zinc/75/75/35/1038757535.db2.gz IEVJOOZAFLGACW-UHFFFAOYSA-N 1 3 359.905 2.920 20 0 FFADHO CCN1C[C@@H]2C[N@@H+](C[C@@H](O)COCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001250906778 1038799895 /nfs/dbraw/zinc/79/98/95/1038799895.db2.gz LKRIUIWBYRWZHV-QLFBSQMISA-N 1 3 373.324 2.754 20 0 FFADHO CCN1C[C@@H]2C[N@H+](C[C@@H](O)COCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001250906778 1038799910 /nfs/dbraw/zinc/79/99/10/1038799910.db2.gz LKRIUIWBYRWZHV-QLFBSQMISA-N 1 3 373.324 2.754 20 0 FFADHO COCCC1([NH3+])CCN(C2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001257578296 1038877505 /nfs/dbraw/zinc/87/75/05/1038877505.db2.gz NMMRIWMAZJIPEB-HOTGVXAUSA-N 1 3 369.550 2.993 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c43)C[C@@H]2C1 ZINC001251093307 1038944067 /nfs/dbraw/zinc/94/40/67/1038944067.db2.gz BPNBYUZSSFRBAW-IXDOHACOSA-N 1 3 365.477 2.554 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c43)C[C@@H]2C1 ZINC001251093307 1038944079 /nfs/dbraw/zinc/94/40/79/1038944079.db2.gz BPNBYUZSSFRBAW-IXDOHACOSA-N 1 3 365.477 2.554 20 0 FFADHO c1cc([C@]23CC[NH2+][C@H]2COCC3)ccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245423508 1038999570 /nfs/dbraw/zinc/99/95/70/1038999570.db2.gz IHVLJJSNZFKZOO-XPWALMASSA-N 1 3 368.521 2.975 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)CC1 ZINC001258015103 1039115239 /nfs/dbraw/zinc/11/52/39/1039115239.db2.gz PKTAGOTWAWBJMS-HXUWFJFHSA-N 1 3 370.541 2.640 20 0 FFADHO C[C@@H]1CC[C@H](CNC[C@H](O)COCc2c(Cl)cccc2Cl)C[NH2+]1 ZINC001245972990 1039170267 /nfs/dbraw/zinc/17/02/67/1039170267.db2.gz IZONDEAHQOCVRP-MCIONIFRSA-N 1 3 361.313 2.849 20 0 FFADHO O[C@@H](CNC[C@]12CCC[C@H]1C[NH2+]C2)COCc1c(Cl)cccc1Cl ZINC001245986310 1039176690 /nfs/dbraw/zinc/17/66/90/1039176690.db2.gz OFBBXKUPBDGRDC-SUNYJGFJSA-N 1 3 373.324 2.850 20 0 FFADHO CSc1ccc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)s1 ZINC001279076283 1039192570 /nfs/dbraw/zinc/19/25/70/1039192570.db2.gz CSCOKBRPUXEFJF-UHFFFAOYSA-N 1 3 367.584 2.846 20 0 FFADHO CSc1ccc(CN2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)s1 ZINC001279076283 1039192577 /nfs/dbraw/zinc/19/25/77/1039192577.db2.gz CSCOKBRPUXEFJF-UHFFFAOYSA-N 1 3 367.584 2.846 20 0 FFADHO CSc1ccc(CN2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)s1 ZINC001279076283 1039192589 /nfs/dbraw/zinc/19/25/89/1039192589.db2.gz CSCOKBRPUXEFJF-UHFFFAOYSA-N 1 3 367.584 2.846 20 0 FFADHO O[C@@H](CN[C@@H](C1CC1)C1C[NH2+]C1)COc1cccc2[nH]c3ccccc3c21 ZINC001246018927 1039194554 /nfs/dbraw/zinc/19/45/54/1039194554.db2.gz HNRYDICEKZQADC-AOMKIAJQSA-N 1 3 365.477 2.648 20 0 FFADHO C[C@@H]1CCN(C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C[C@@H]1C[NH3+] ZINC001246022173 1039196123 /nfs/dbraw/zinc/19/61/23/1039196123.db2.gz PSXYZRCIYFIVDB-IXDOHACOSA-N 1 3 367.493 2.978 20 0 FFADHO C[C@@H]1CCN(C[C@@H](O)COCc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC001246024447 1039199568 /nfs/dbraw/zinc/19/95/68/1039199568.db2.gz VTABWCSKWAHVEJ-HZSPNIEDSA-N 1 3 361.313 2.788 20 0 FFADHO CCCC[C@H](CC)COC[C@H](O)CN(CCCOC)C1CC[NH2+]CC1 ZINC001246048371 1039216951 /nfs/dbraw/zinc/21/69/51/1039216951.db2.gz ZTVDVYZVJWJBIM-AZUAARDMSA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@H](CC)COC[C@H](O)C[N@H+](CCCOC)C1CCNCC1 ZINC001246048371 1039216959 /nfs/dbraw/zinc/21/69/59/1039216959.db2.gz ZTVDVYZVJWJBIM-AZUAARDMSA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@H](CC)COC[C@H](O)C[N@@H+](CCCOC)C1CCNCC1 ZINC001246048371 1039216972 /nfs/dbraw/zinc/21/69/72/1039216972.db2.gz ZTVDVYZVJWJBIM-AZUAARDMSA-N 1 3 358.567 2.671 20 0 FFADHO COc1cccc(C[C@@H]2CCC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC001246052927 1039223882 /nfs/dbraw/zinc/22/38/82/1039223882.db2.gz MONVWADZARWMCU-ACIOBRDBSA-N 1 3 368.521 2.881 20 0 FFADHO COc1cccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC001246052927 1039223901 /nfs/dbraw/zinc/22/39/01/1039223901.db2.gz MONVWADZARWMCU-ACIOBRDBSA-N 1 3 368.521 2.881 20 0 FFADHO CC(C)(C)C[N@H+](C[C@@H](O)COc1ccc(F)cc1F)C1CCNCC1 ZINC001246070054 1039237032 /nfs/dbraw/zinc/23/70/32/1039237032.db2.gz QEHQEDAHDGTSLJ-MRXNPFEDSA-N 1 3 356.457 2.805 20 0 FFADHO CC(C)(C)C[N@@H+](C[C@@H](O)COc1ccc(F)cc1F)C1CCNCC1 ZINC001246070054 1039237042 /nfs/dbraw/zinc/23/70/42/1039237042.db2.gz QEHQEDAHDGTSLJ-MRXNPFEDSA-N 1 3 356.457 2.805 20 0 FFADHO CC(C)(C)CN(C[C@@H](O)COc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001246070054 1039237051 /nfs/dbraw/zinc/23/70/51/1039237051.db2.gz QEHQEDAHDGTSLJ-MRXNPFEDSA-N 1 3 356.457 2.805 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CCN1 ZINC001246199417 1039275613 /nfs/dbraw/zinc/27/56/13/1039275613.db2.gz WCVRSSLIAFBNEN-YLFCFFPRSA-N 1 3 370.534 2.749 20 0 FFADHO COC(=O)c1ccccc1CC[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246479044 1039365570 /nfs/dbraw/zinc/36/55/70/1039365570.db2.gz QORVXSQXYUSTMM-PMACEKPBSA-N 1 3 352.478 2.969 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC)C[C@H]1C ZINC001210179562 1039422088 /nfs/dbraw/zinc/42/20/88/1039422088.db2.gz PPSVJBJMZHINSY-QRVBRYPASA-N 1 3 353.551 2.504 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@H]1C ZINC001210179562 1039422098 /nfs/dbraw/zinc/42/20/98/1039422098.db2.gz PPSVJBJMZHINSY-QRVBRYPASA-N 1 3 353.551 2.504 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H](N3CC[C@H]4[NH2+]CC[C@H]43)CC[C@H]2C1 ZINC001246636910 1039424724 /nfs/dbraw/zinc/42/47/24/1039424724.db2.gz HFJBUHIJSVKTHS-ALGQRKQJSA-N 1 3 353.510 2.754 20 0 FFADHO CC(C)C[C@H](C)C[C@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246668221 1039431809 /nfs/dbraw/zinc/43/18/09/1039431809.db2.gz MMFKGSRNJOJHPI-ROUUACIJSA-N 1 3 350.551 2.921 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+]([C@H]4CCN[C@H](C)C4)C[C@H]2C3)c1 ZINC001246701286 1039442164 /nfs/dbraw/zinc/44/21/64/1039442164.db2.gz FESWUXSZRONJDC-NWGLXNPWSA-N 1 3 366.509 2.808 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+]([C@H]4CCN[C@H](C)C4)C[C@H]2C3)c1 ZINC001246701286 1039442175 /nfs/dbraw/zinc/44/21/75/1039442175.db2.gz FESWUXSZRONJDC-NWGLXNPWSA-N 1 3 366.509 2.808 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246720458 1039449790 /nfs/dbraw/zinc/44/97/90/1039449790.db2.gz MFRUXGHPGZFAHN-MXHMCPQYSA-N 1 3 367.537 2.827 20 0 FFADHO O=C(c1ccsc1)N1CCC[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246725445 1039452078 /nfs/dbraw/zinc/45/20/78/1039452078.db2.gz YYZPUZZIPYTQMG-NHJHPMQKSA-N 1 3 359.539 2.959 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C3)n1 ZINC001246753024 1039465441 /nfs/dbraw/zinc/46/54/41/1039465441.db2.gz NLNLJTXGBNNPFD-PSWRPDDJSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+]([C@@H]2CCN[C@H](C)C2)C3)n1 ZINC001246753024 1039465445 /nfs/dbraw/zinc/46/54/45/1039465445.db2.gz NLNLJTXGBNNPFD-PSWRPDDJSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CCN([C@@H]2CC[NH2+][C@H](C)C2)C3)n1 ZINC001246753024 1039465455 /nfs/dbraw/zinc/46/54/55/1039465455.db2.gz NLNLJTXGBNNPFD-PSWRPDDJSA-N 1 3 373.541 2.918 20 0 FFADHO CC1(C)C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246809041 1039488669 /nfs/dbraw/zinc/48/86/69/1039488669.db2.gz ZQJMSOWKSQWECK-JKSUJKDBSA-N 1 3 352.320 2.926 20 0 FFADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258845774 1039534511 /nfs/dbraw/zinc/53/45/11/1039534511.db2.gz GKGQDAOIXROPSQ-NRFANRHFSA-N 1 3 367.537 2.832 20 0 FFADHO CC[C@@H](Cc1ccccc1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258845774 1039534522 /nfs/dbraw/zinc/53/45/22/1039534522.db2.gz GKGQDAOIXROPSQ-NRFANRHFSA-N 1 3 367.537 2.832 20 0 FFADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210432993 1039544325 /nfs/dbraw/zinc/54/43/25/1039544325.db2.gz KAORUTZEKFRFOD-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO C[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210432961 1039544629 /nfs/dbraw/zinc/54/46/29/1039544629.db2.gz JHXVSNVCAYNPNZ-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2cccnc2)cc1 ZINC001278679365 1039665379 /nfs/dbraw/zinc/66/53/79/1039665379.db2.gz GTTVYTHGBWBFFK-SZPZYZBQSA-N 1 3 350.510 2.959 20 0 FFADHO Cc1cccnc1C1(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252950338 1039857252 /nfs/dbraw/zinc/85/72/52/1039857252.db2.gz JQKYGJSYGHFIGX-QFIPXVFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1cccnc1C1(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252950338 1039857274 /nfs/dbraw/zinc/85/72/74/1039857274.db2.gz JQKYGJSYGHFIGX-QFIPXVFZSA-N 1 3 351.494 2.648 20 0 FFADHO FC(F)(F)c1cc(Cl)cc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247829935 1039976767 /nfs/dbraw/zinc/97/67/67/1039976767.db2.gz KQXRNAVZWUWKQT-NSHDSACASA-N 1 3 358.751 2.685 20 0 FFADHO Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1Br ZINC001278701702 1040023074 /nfs/dbraw/zinc/02/30/74/1040023074.db2.gz FEDFYXKCLHZHOX-ROUUACIJSA-N 1 3 366.347 2.968 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNC1(Cc2ccc(Cl)cc2)CCOCC1 ZINC001253212993 1040047212 /nfs/dbraw/zinc/04/72/12/1040047212.db2.gz QXNVIPNAWBFFKV-SFHVURJKSA-N 1 3 354.922 2.724 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405503 1040157328 /nfs/dbraw/zinc/15/73/28/1040157328.db2.gz DSPYLNYEJPZQIC-IKGGRYGDSA-N 1 3 371.566 2.608 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405503 1040157340 /nfs/dbraw/zinc/15/73/40/1040157340.db2.gz DSPYLNYEJPZQIC-IKGGRYGDSA-N 1 3 371.566 2.608 20 0 FFADHO COc1ncc(CN2C[C@@H]3CC[N@@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)s1 ZINC001278720078 1040168916 /nfs/dbraw/zinc/16/89/16/1040168916.db2.gz AWMYNCFGEDRHOL-GASCZTMLSA-N 1 3 374.510 2.596 20 0 FFADHO COc1ncc(CN2C[C@@H]3CC[N@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)s1 ZINC001278720078 1040168922 /nfs/dbraw/zinc/16/89/22/1040168922.db2.gz AWMYNCFGEDRHOL-GASCZTMLSA-N 1 3 374.510 2.596 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224302 1040350061 /nfs/dbraw/zinc/35/00/61/1040350061.db2.gz VWVHUUVLAFNORS-QZTJIDSGSA-N 1 3 353.551 2.647 20 0 FFADHO CO[C@@H]1CN([C@H](C)c2cc(C)ccc2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346482 1040468120 /nfs/dbraw/zinc/46/81/20/1040468120.db2.gz OZATXPAHDFVQRR-MISYRCLQSA-N 1 3 361.530 2.522 20 0 FFADHO C[N@H+](Cc1ccc2c(c1)OCO2)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254040833 1040542187 /nfs/dbraw/zinc/54/21/87/1040542187.db2.gz YZEFAPGXUKFLKH-UHFFFAOYSA-N 1 3 368.477 2.874 20 0 FFADHO C[N@@H+](Cc1ccc2c(c1)OCO2)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254040833 1040542204 /nfs/dbraw/zinc/54/22/04/1040542204.db2.gz YZEFAPGXUKFLKH-UHFFFAOYSA-N 1 3 368.477 2.874 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1OC)N(CC)CC ZINC001213434657 1040550315 /nfs/dbraw/zinc/55/03/15/1040550315.db2.gz KAQJYSONFBLAKI-HSALFYBXSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1OC)N(CC)CC ZINC001213434657 1040550330 /nfs/dbraw/zinc/55/03/30/1040550330.db2.gz KAQJYSONFBLAKI-HSALFYBXSA-N 1 3 367.578 2.893 20 0 FFADHO NCCC[NH2+]CCCCn1cc(-c2ccccc2OC(F)(F)F)nn1 ZINC001254162627 1040590671 /nfs/dbraw/zinc/59/06/71/1040590671.db2.gz FSXCOPGNAWJPJN-UHFFFAOYSA-N 1 3 357.380 2.562 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001261295099 1041145990 /nfs/dbraw/zinc/14/59/90/1041145990.db2.gz OAVHMXLIZPYSFB-IRXDYDNUSA-N 1 3 352.548 2.694 20 0 FFADHO C[C@@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC001261376764 1041200876 /nfs/dbraw/zinc/20/08/76/1041200876.db2.gz XVBFJHUACXMPFG-MJGOQNOKSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409598 1041325424 /nfs/dbraw/zinc/32/54/24/1041325424.db2.gz IQANXQBPDNIMMS-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255409598 1041325432 /nfs/dbraw/zinc/32/54/32/1041325432.db2.gz IQANXQBPDNIMMS-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001214610599 1041503781 /nfs/dbraw/zinc/50/37/81/1041503781.db2.gz ALPVCCWACLBHLT-NRSPTQNISA-N 1 3 357.542 2.929 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001214904989 1041614788 /nfs/dbraw/zinc/61/47/88/1041614788.db2.gz STYJGJALLUBZEB-AHRSYUTCSA-N 1 3 363.521 2.781 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCC=C(Cl)Cl ZINC001214948091 1041627390 /nfs/dbraw/zinc/62/73/90/1041627390.db2.gz KJEBSFWLNGLBMS-ZIAGYGMSSA-N 1 3 360.329 2.618 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOc2ccccc2C)C1)N(C)C ZINC001214955240 1041630344 /nfs/dbraw/zinc/63/03/44/1041630344.db2.gz SQZOMJMGLZPOAH-GUDVDZBRSA-N 1 3 361.530 2.541 20 0 FFADHO [NH3+]C1CC2(C1)CC(NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C2 ZINC001262573648 1041731130 /nfs/dbraw/zinc/73/11/30/1041731130.db2.gz ZXOVATXYUQHZQG-FCOWATRHSA-N 1 3 356.514 2.783 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)cs1 ZINC001215569329 1041830161 /nfs/dbraw/zinc/83/01/61/1041830161.db2.gz ZZPUOFKPHZTOEP-RHSMWYFYSA-N 1 3 351.560 2.971 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(Cl)cc2OC)C1 ZINC001216225310 1041983159 /nfs/dbraw/zinc/98/31/59/1041983159.db2.gz DMBPMBVGRFUSQU-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(Cl)cc2OC)C1 ZINC001216225310 1041983161 /nfs/dbraw/zinc/98/31/61/1041983161.db2.gz DMBPMBVGRFUSQU-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@@H+]3CCCC3(C)C)c2)CC1 ZINC001216798627 1042125886 /nfs/dbraw/zinc/12/58/86/1042125886.db2.gz MARKOAZHHWOJLE-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@H+]3CCCC3(C)C)c2)CC1 ZINC001216798627 1042125891 /nfs/dbraw/zinc/12/58/91/1042125891.db2.gz MARKOAZHHWOJLE-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c(Cl)c1 ZINC001216851576 1042143519 /nfs/dbraw/zinc/14/35/19/1042143519.db2.gz AQKLGZRRSAEKCH-CRAIPNDOSA-N 1 3 351.922 2.925 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001263933416 1042542644 /nfs/dbraw/zinc/54/26/44/1042542644.db2.gz YFRKOWORVSZRRK-QWHCGFSZSA-N 1 3 358.939 2.511 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCOc1ccc2ccccc2c1 ZINC001264159214 1042643527 /nfs/dbraw/zinc/64/35/27/1042643527.db2.gz RRUADEKABQBQKT-UTKZUKDTSA-N 1 3 369.509 2.749 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CN(C)CCOCC(C)C)CC[N@@H+]1C ZINC001264181803 1042655808 /nfs/dbraw/zinc/65/58/08/1042655808.db2.gz ABVHBNRYQMCMQY-SLFFLAALSA-N 1 3 367.578 2.702 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CN(C)CCOCC(C)C)CC[N@H+]1C ZINC001264181803 1042655810 /nfs/dbraw/zinc/65/58/10/1042655810.db2.gz ABVHBNRYQMCMQY-SLFFLAALSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1)N(C)C ZINC001264486997 1042693347 /nfs/dbraw/zinc/69/33/47/1042693347.db2.gz NPDUMYZJTCRJNR-YJLNNSPDSA-N 1 3 367.484 2.926 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001264560804 1042716635 /nfs/dbraw/zinc/71/66/35/1042716635.db2.gz USPLKAJKKCVRPU-XLIONFOSSA-N 1 3 354.498 2.720 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccc(C(C)C)nc1C ZINC001264617129 1042748955 /nfs/dbraw/zinc/74/89/55/1042748955.db2.gz BJSJRTINRSSVDO-VQTJNVASSA-N 1 3 360.546 2.934 20 0 FFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001265783481 1042877316 /nfs/dbraw/zinc/87/73/16/1042877316.db2.gz MDJKBYFPAFCLST-XIRDDKMYSA-N 1 3 365.468 2.614 20 0 FFADHO COc1cc(C)cc(CN[C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c1 ZINC001279130396 1042911238 /nfs/dbraw/zinc/91/12/38/1042911238.db2.gz FBUOKZZPUYUQSC-LEWJYISDSA-N 1 3 359.514 2.616 20 0 FFADHO COc1cc(C)cc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001279134305 1042913376 /nfs/dbraw/zinc/91/33/76/1042913376.db2.gz ZPWVBIHDHUYJKN-UHFFFAOYSA-N 1 3 354.498 2.798 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(Br)cs1 ZINC001279166021 1042927642 /nfs/dbraw/zinc/92/76/42/1042927642.db2.gz HMJSZOPSXKOGMF-GJZGRUSLSA-N 1 3 358.349 2.721 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(Br)cs1 ZINC001279166021 1042927644 /nfs/dbraw/zinc/92/76/44/1042927644.db2.gz HMJSZOPSXKOGMF-GJZGRUSLSA-N 1 3 358.349 2.721 20 0 FFADHO CSc1ccc(CN2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)cc1 ZINC001279188184 1042938701 /nfs/dbraw/zinc/93/87/01/1042938701.db2.gz GPXWDEDQSMOITQ-FQEVSTJZSA-N 1 3 363.571 2.637 20 0 FFADHO c1cn2ccc(CN3CCC4(CC[N@H+](Cc5cn[nH]c5)C4)CC3)cc2n1 ZINC001279358744 1043025904 /nfs/dbraw/zinc/02/59/04/1043025904.db2.gz WDRSKZUCGHBMAV-UHFFFAOYSA-N 1 3 350.470 2.546 20 0 FFADHO c1cn2ccc(CN3CCC4(CC[N@@H+](Cc5cn[nH]c5)C4)CC3)cc2n1 ZINC001279358744 1043025908 /nfs/dbraw/zinc/02/59/08/1043025908.db2.gz WDRSKZUCGHBMAV-UHFFFAOYSA-N 1 3 350.470 2.546 20 0 FFADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cc5ccccc5s4)CC3)[C@H]2C1 ZINC001279402355 1043060865 /nfs/dbraw/zinc/06/08/65/1043060865.db2.gz BXNLIPQMYLYYCY-IRXDYDNUSA-N 1 3 355.507 2.544 20 0 FFADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cc5ccccc5s4)CC3)[C@H]2C1 ZINC001279402355 1043060876 /nfs/dbraw/zinc/06/08/76/1043060876.db2.gz BXNLIPQMYLYYCY-IRXDYDNUSA-N 1 3 355.507 2.544 20 0 FFADHO Cc1ccnc(CN2CCC3(CC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001279406759 1043065140 /nfs/dbraw/zinc/06/51/40/1043065140.db2.gz DNYHDGSEYXTXIU-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO Cc1ccnc(CN2CCC3(CC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001279406759 1043065142 /nfs/dbraw/zinc/06/51/42/1043065142.db2.gz DNYHDGSEYXTXIU-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO Cc1ccnc(C[NH+]2CCC3(CCN(Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001279406759 1043065144 /nfs/dbraw/zinc/06/51/44/1043065144.db2.gz DNYHDGSEYXTXIU-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ncc4ccccn43)C2)C1 ZINC001279418430 1043088070 /nfs/dbraw/zinc/08/80/70/1043088070.db2.gz QXWPYCFCAZSRKH-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO CCOC(=O)[C@@H]1CN(CCc2ccccc2C(F)(F)F)CCC12C[NH2+]C2 ZINC001237410199 1043146448 /nfs/dbraw/zinc/14/64/48/1043146448.db2.gz KCYPLALNJFJDJM-INIZCTEOSA-N 1 3 370.415 2.723 20 0 FFADHO Cc1ccc(CCC[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)o1 ZINC001279474484 1043156962 /nfs/dbraw/zinc/15/69/62/1043156962.db2.gz NZJURRRKGDOQIU-UHFFFAOYSA-N 1 3 361.530 2.787 20 0 FFADHO COC(C)(C)CCC[C@@H](C)CCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001279494738 1043183044 /nfs/dbraw/zinc/18/30/44/1043183044.db2.gz MCLBMNGMMAEJCZ-AQNXPRMDSA-N 1 3 369.594 2.555 20 0 FFADHO CC(C)C1=[NH+]CCc2ccc(CN3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)cc21 ZINC001237884027 1043415525 /nfs/dbraw/zinc/41/55/25/1043415525.db2.gz YKEBXOHAOCCHOJ-OYRHEFFESA-N 1 3 367.537 2.983 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C)[nH]3)C[C@H]2CC1 ZINC001279662874 1043421249 /nfs/dbraw/zinc/42/12/49/1043421249.db2.gz WZHVIECMUMITAS-CALCHBBNSA-N 1 3 360.546 2.544 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)[nH]3)C[C@H]2CC1 ZINC001279662874 1043421260 /nfs/dbraw/zinc/42/12/60/1043421260.db2.gz WZHVIECMUMITAS-CALCHBBNSA-N 1 3 360.546 2.544 20 0 FFADHO Cc1ccc(Br)c(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001279663872 1043425495 /nfs/dbraw/zinc/42/54/95/1043425495.db2.gz IRKXRQMNQZTWHJ-MAUKXSAKSA-N 1 3 366.347 2.825 20 0 FFADHO Clc1ncccc1CN1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279667715 1043433785 /nfs/dbraw/zinc/43/37/85/1043433785.db2.gz ORXASVRCVDJQCV-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1ncccc1CN1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279667715 1043433793 /nfs/dbraw/zinc/43/37/93/1043433793.db2.gz ORXASVRCVDJQCV-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO C[NH+](C)Cc1ccccc1N1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001279762619 1043604342 /nfs/dbraw/zinc/60/43/42/1043604342.db2.gz RYBJIMBDJIFPEO-UHFFFAOYSA-N 1 3 353.514 2.547 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3C[C@@]32C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC001279994688 1044058280 /nfs/dbraw/zinc/05/82/80/1044058280.db2.gz MPYZLDINYJRFSA-KNQAVFIVSA-N 1 3 355.526 2.820 20 0 FFADHO CN(C)CCN(C(=O)Nc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC001239308258 1044096475 /nfs/dbraw/zinc/09/64/75/1044096475.db2.gz VSCPROOKZNHOQL-HNNXBMFYSA-N 1 3 369.307 2.597 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001312455123 1044118300 /nfs/dbraw/zinc/11/83/00/1044118300.db2.gz GXRAMTIEBLZNCX-HBFSDRIKSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001313422751 1044352752 /nfs/dbraw/zinc/35/27/52/1044352752.db2.gz CCHXDSSXZXXYCQ-NJDAHSKKSA-N 1 3 370.541 2.553 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001313422751 1044352764 /nfs/dbraw/zinc/35/27/64/1044352764.db2.gz CCHXDSSXZXXYCQ-NJDAHSKKSA-N 1 3 370.541 2.553 20 0 FFADHO Cc1ccc([C@H](C)CCN2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)o1 ZINC001280232539 1044434027 /nfs/dbraw/zinc/43/40/27/1044434027.db2.gz MIPBLEQMLVWTGI-CRAIPNDOSA-N 1 3 359.514 2.614 20 0 FFADHO CCc1ccc(CN2CCC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)CC2)o1 ZINC001280293510 1044562390 /nfs/dbraw/zinc/56/23/90/1044562390.db2.gz UIANUYYDVWUJPJ-LJQANCHMSA-N 1 3 359.514 2.655 20 0 FFADHO CCN1CCN(c2ccc(-c3nccc(C[NH3+])c3C(OC)OC)cc2)CC1 ZINC001241740826 1044581132 /nfs/dbraw/zinc/58/11/32/1044581132.db2.gz SEUNNHASQVYCCS-UHFFFAOYSA-N 1 3 370.497 2.641 20 0 FFADHO C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](CNCC=C(Cl)Cl)C1 ZINC001316704294 1044587362 /nfs/dbraw/zinc/58/73/62/1044587362.db2.gz PFCKVUIMLOGNAE-KGLIPLIRSA-N 1 3 350.334 2.864 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001318716186 1044832212 /nfs/dbraw/zinc/83/22/12/1044832212.db2.gz BAFYKAYMSJQMHC-UXHICEINSA-N 1 3 372.557 2.995 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCc3c2cc(F)cc3F)CC[N@@H+]1C ZINC001317588415 1045112933 /nfs/dbraw/zinc/11/29/33/1045112933.db2.gz GZYFWQGNCPEDHL-KFKAGJAMSA-N 1 3 365.468 2.730 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCc3c2cc(F)cc3F)CC[N@H+]1C ZINC001317588415 1045112938 /nfs/dbraw/zinc/11/29/38/1045112938.db2.gz GZYFWQGNCPEDHL-KFKAGJAMSA-N 1 3 365.468 2.730 20 0 FFADHO CC(C)Oc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001282389953 1045584534 /nfs/dbraw/zinc/58/45/34/1045584534.db2.gz BZQXYLDOAWNDAV-SQGPQFPESA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)Oc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001282389953 1045584540 /nfs/dbraw/zinc/58/45/40/1045584540.db2.gz BZQXYLDOAWNDAV-SQGPQFPESA-N 1 3 361.530 2.751 20 0 FFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001322248215 1046011993 /nfs/dbraw/zinc/01/19/93/1046011993.db2.gz JZVKXHUTSBPSFO-BWAGFHJFSA-N 1 3 365.521 2.969 20 0 FFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001322248215 1046012007 /nfs/dbraw/zinc/01/20/07/1046012007.db2.gz JZVKXHUTSBPSFO-BWAGFHJFSA-N 1 3 365.521 2.969 20 0 FFADHO CCOC(=O)CC(C)(C)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001324702040 1046176182 /nfs/dbraw/zinc/17/61/82/1046176182.db2.gz UGBXPEIVNKPVDK-UHFFFAOYSA-N 1 3 361.530 2.503 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001322845527 1046245562 /nfs/dbraw/zinc/24/55/62/1046245562.db2.gz NTSQQZZKMUYQIV-AHRSYUTCSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CCN1Cc1ccccc1 ZINC001323154646 1046364458 /nfs/dbraw/zinc/36/44/58/1046364458.db2.gz BEIWMTRBWFDJAS-AFYVEPGGSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cc4ccccc4o3)CCC2)CC[N@@H+]1C ZINC001326821319 1047102328 /nfs/dbraw/zinc/10/23/28/1047102328.db2.gz CRJLIFUMXXKHNW-CRAIPNDOSA-N 1 3 355.482 2.902 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cc4ccccc4o3)CCC2)CC[N@H+]1C ZINC001326821319 1047102332 /nfs/dbraw/zinc/10/23/32/1047102332.db2.gz CRJLIFUMXXKHNW-CRAIPNDOSA-N 1 3 355.482 2.902 20 0 FFADHO COC(=O)c1cccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC001326895035 1047126634 /nfs/dbraw/zinc/12/66/34/1047126634.db2.gz NRFOBLQQUDONTM-UHFFFAOYSA-N 1 3 368.477 2.720 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327479525 1047916173 /nfs/dbraw/zinc/91/61/73/1047916173.db2.gz HGYRIJIVPRKAFN-ICSRJNTNSA-N 1 3 370.541 2.682 20 0 FFADHO CC[NH+](CC)C1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001328182445 1048214279 /nfs/dbraw/zinc/21/42/79/1048214279.db2.gz YTYPFLWOEMFFIG-MRXNPFEDSA-N 1 3 352.910 2.766 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC001329251529 1048635460 /nfs/dbraw/zinc/63/54/60/1048635460.db2.gz FOSMYDKDVJVGKO-UXHICEINSA-N 1 3 358.530 2.731 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC001329251529 1048635467 /nfs/dbraw/zinc/63/54/67/1048635467.db2.gz FOSMYDKDVJVGKO-UXHICEINSA-N 1 3 358.530 2.731 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)c2)CC1 ZINC001330597672 1049221778 /nfs/dbraw/zinc/22/17/78/1049221778.db2.gz DGDZJHFSFFOFFG-UHFFFAOYSA-N 1 3 367.537 2.951 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001341555904 1050183584 /nfs/dbraw/zinc/18/35/84/1050183584.db2.gz PTIDRNFWPNZFCY-DUXKGJEZSA-N 1 3 371.525 2.750 20 0 FFADHO C[C@@H]1CCN(C(=O)C2(C3CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC001341619488 1050246543 /nfs/dbraw/zinc/24/65/43/1050246543.db2.gz NDPXIMAREYBWMX-GOSISDBHSA-N 1 3 355.526 2.889 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2c(s1)CNCC2 ZINC001340026126 1050438059 /nfs/dbraw/zinc/43/80/59/1050438059.db2.gz GJZARQZXRCAOSB-UHFFFAOYSA-N 1 3 355.507 2.920 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)CC1 ZINC001341887185 1050490086 /nfs/dbraw/zinc/49/00/86/1050490086.db2.gz FXVLFDOVSQBGOK-KRZXBLKESA-N 1 3 370.541 2.892 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001340154285 1050557473 /nfs/dbraw/zinc/55/74/73/1050557473.db2.gz IGVUVKRXDUPFDR-HNNXBMFYSA-N 1 3 371.485 2.650 20 0 FFADHO CCN(CC)[C@H](CNC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2)c1ccsc1 ZINC001340170349 1050575505 /nfs/dbraw/zinc/57/55/05/1050575505.db2.gz YAJJOEMNLBLYND-DHADLLTHSA-N 1 3 365.543 2.534 20 0 FFADHO CCN(C)[C@@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001302177848 1051055022 /nfs/dbraw/zinc/05/50/22/1051055022.db2.gz KGKSWYGSWDQUGP-NHCUHLMSSA-N 1 3 351.494 2.723 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+])c1ccsc1 ZINC001340808922 1051154038 /nfs/dbraw/zinc/15/40/38/1051154038.db2.gz PYBZNPMKQGXCCW-WMLDXEAASA-N 1 3 361.515 2.551 20 0 FFADHO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001342832525 1051440743 /nfs/dbraw/zinc/44/07/43/1051440743.db2.gz OAYUZNQWZONVCT-UHFFFAOYSA-N 1 3 355.507 2.527 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H](C[C@@H]3COCCN3)c3ccccc32)C1 ZINC001342875843 1051484748 /nfs/dbraw/zinc/48/47/48/1051484748.db2.gz OTJPROLDEMWSOH-GBESFXJTSA-N 1 3 371.525 2.617 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H](C[C@@H]3COCCN3)c3ccccc32)C1 ZINC001342875843 1051484753 /nfs/dbraw/zinc/48/47/53/1051484753.db2.gz OTJPROLDEMWSOH-GBESFXJTSA-N 1 3 371.525 2.617 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306181024 1052056489 /nfs/dbraw/zinc/05/64/89/1052056489.db2.gz VNSILYSFAIALMZ-PZJWPPBQSA-N 1 3 364.493 2.861 20 0 FFADHO CC1CCC(N2CCN(C(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)CC2)CC1 ZINC001306574756 1052146399 /nfs/dbraw/zinc/14/63/99/1052146399.db2.gz ZWGZWEDWOCTGKD-JLAWEPINSA-N 1 3 356.514 2.631 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1 ZINC001306876931 1052208754 /nfs/dbraw/zinc/20/87/54/1052208754.db2.gz HPEFOUHOWZLRMW-JSGCOSHPSA-N 1 3 363.893 2.770 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@H](CCCC[NH3+])c3ccc(F)cc3F)C2)cn1 ZINC001345097172 1052255539 /nfs/dbraw/zinc/25/55/39/1052255539.db2.gz HPNGUGVAJCNAFE-HNAYVOBHSA-N 1 3 363.456 2.737 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)cc1 ZINC001345193979 1052311778 /nfs/dbraw/zinc/31/17/78/1052311778.db2.gz XSDVGRVOIGLPIL-KFKAGJAMSA-N 1 3 365.477 2.829 20 0 FFADHO CC(C)[C@](O)(C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC001307665583 1052332357 /nfs/dbraw/zinc/33/23/57/1052332357.db2.gz JXVXWRPRIVICBL-HSZRJFAPSA-N 1 3 373.585 2.880 20 0 FFADHO CCCC[NH+]1CCC(NC[C@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC001308228407 1052434022 /nfs/dbraw/zinc/43/40/22/1052434022.db2.gz PCAVTHRBEPALLB-KRWDZBQOSA-N 1 3 357.539 2.770 20 0 FFADHO Ic1ccc(CNC[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001308966190 1052527870 /nfs/dbraw/zinc/52/78/70/1052527870.db2.gz OQWYMHCLAFHRAB-AWEZNQCLSA-N 1 3 356.251 2.723 20 0 FFADHO COCCn1c(C)c(C)n(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001335251159 1053269304 /nfs/dbraw/zinc/26/93/04/1053269304.db2.gz ACCQRWAVDKYDDJ-BZSNNMDCSA-N 1 3 366.575 2.902 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C[C@H]1CC[NH3+] ZINC001336716531 1054161093 /nfs/dbraw/zinc/16/10/93/1054161093.db2.gz UKZOILUOLQNDBJ-OAGGEKHMSA-N 1 3 350.532 2.511 20 0 FFADHO COC(=O)/C=C\c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000848890809 1055309028 /nfs/dbraw/zinc/30/90/28/1055309028.db2.gz VBGLTNNAPVRUOX-SREVYHEPSA-N 1 3 362.470 2.543 20 0 FFADHO CC[C@@H](C)N1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2CC)CC1 ZINC001356246795 1055415098 /nfs/dbraw/zinc/41/50/98/1055415098.db2.gz QUHNQUCIGUSOEW-MVCQKVDPSA-N 1 3 374.577 2.634 20 0 FFADHO CC[C@@H](C)N1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2CC)CC1 ZINC001356246795 1055415104 /nfs/dbraw/zinc/41/51/04/1055415104.db2.gz QUHNQUCIGUSOEW-MVCQKVDPSA-N 1 3 374.577 2.634 20 0 FFADHO Cc1cccc(OC[C@@H](O)C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC001356585373 1055595933 /nfs/dbraw/zinc/59/59/33/1055595933.db2.gz RMKVFYDYKLJTMG-NRFANRHFSA-N 1 3 369.509 2.632 20 0 FFADHO CCCCOc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1OC ZINC000849057973 1055609507 /nfs/dbraw/zinc/60/95/07/1055609507.db2.gz HJBCLUORSSJMDB-QGZVFWFLSA-N 1 3 362.518 2.972 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(Oc2ccccc2)c1 ZINC000849063886 1055616815 /nfs/dbraw/zinc/61/68/15/1055616815.db2.gz SWUATECBTKRZKM-KRWDZBQOSA-N 1 3 353.470 2.972 20 0 FFADHO [NH2+]=C(NCc1nccn1C(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849064361 1055619387 /nfs/dbraw/zinc/61/93/87/1055619387.db2.gz SFUNKGMQNSSNOI-UHFFFAOYSA-N 1 3 362.428 2.557 20 0 FFADHO CC(C)OC(=O)CC[C@@H](C)NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849094718 1055637747 /nfs/dbraw/zinc/63/77/47/1055637747.db2.gz QYTADQJRWGXWBM-QGZVFWFLSA-N 1 3 374.529 2.885 20 0 FFADHO CC[C@@H](C)C[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001357413967 1055895978 /nfs/dbraw/zinc/89/59/78/1055895978.db2.gz KZRUFVOWCOSOKF-BEFAXECRSA-N 1 3 365.493 2.549 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001357856446 1056040694 /nfs/dbraw/zinc/04/06/94/1056040694.db2.gz PBBONVHQPKNZEZ-RTBURBONSA-N 1 3 357.498 2.846 20 0 FFADHO COc1nc2ccccc2cc1CN[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001200345603 1056428050 /nfs/dbraw/zinc/42/80/50/1056428050.db2.gz IKECHQQMUOJZDC-SFHVURJKSA-N 1 3 354.498 2.502 20 0 FFADHO [NH2+]=C(NCCCc1ccccn1)NC1CCN(Cc2ccccc2)CC1 ZINC000849105178 1056761935 /nfs/dbraw/zinc/76/19/35/1056761935.db2.gz FDNONJIFKBIMOS-UHFFFAOYSA-N 1 3 351.498 2.793 20 0 FFADHO CCC(CC)[NH+]1CCC(CNC(=S)NCCN2CCCCC2)CC1 ZINC001200444065 1058198808 /nfs/dbraw/zinc/19/88/08/1058198808.db2.gz CNBNWTOSTXLCAJ-UHFFFAOYSA-N 1 3 354.608 2.837 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001502252815 1058791676 /nfs/dbraw/zinc/79/16/76/1058791676.db2.gz BZLKZUMHEHLBAM-BZSNNMDCSA-N 1 3 374.577 2.806 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001355230899 1060013632 /nfs/dbraw/zinc/01/36/32/1060013632.db2.gz AQSUPJBHBSXVLW-RBUKOAKNSA-N 1 3 371.525 2.761 20 0 FFADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNCCC1CC[NH+](C)CC1 ZINC001355253774 1060040709 /nfs/dbraw/zinc/04/07/09/1060040709.db2.gz VPSDNDSVFPMMJL-UHFFFAOYSA-N 1 3 351.495 2.589 20 0 FFADHO CC(C)Oc1cccc([C@@H](O)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000848527838 1060223487 /nfs/dbraw/zinc/22/34/87/1060223487.db2.gz IPONHHCZRYLZJO-SFTDATJTSA-N 1 3 362.514 2.740 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001547637412 1071980251 /nfs/dbraw/zinc/98/02/51/1071980251.db2.gz ZAMXNCAAXDNICI-DLBZAZTESA-N 1 3 362.566 2.590 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)C3CC[NH+](CC)CC3)c2)CC1 ZINC001476453590 1061414611 /nfs/dbraw/zinc/41/46/11/1061414611.db2.gz AQGZMRLVOAADKO-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001479157067 1062257639 /nfs/dbraw/zinc/25/76/39/1062257639.db2.gz SSDFAVYGSCPVPP-RTWAWAEBSA-N 1 3 370.541 2.839 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CN(CCCF)C[C@H]1c1ccccc1 ZINC001479428172 1062391265 /nfs/dbraw/zinc/39/12/65/1062391265.db2.gz ULRHTKGYFMKWKR-VQTJNVASSA-N 1 3 361.505 2.806 20 0 FFADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)nc3)C2)CCC1 ZINC001479453425 1062421256 /nfs/dbraw/zinc/42/12/56/1062421256.db2.gz CLABBHSHWBQCAR-GOEBONIOSA-N 1 3 364.921 2.594 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]2C1 ZINC001479673236 1062790706 /nfs/dbraw/zinc/79/07/06/1062790706.db2.gz YDLFSEFRQNJDIB-YADHBBJMSA-N 1 3 369.553 2.797 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]2C1 ZINC001479673236 1062790727 /nfs/dbraw/zinc/79/07/27/1062790727.db2.gz YDLFSEFRQNJDIB-YADHBBJMSA-N 1 3 369.553 2.797 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC001497586486 1063729075 /nfs/dbraw/zinc/72/90/75/1063729075.db2.gz VTHDWCCDWIAMRO-FZPJKSOWSA-N 1 3 361.917 2.930 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC001497586486 1063729085 /nfs/dbraw/zinc/72/90/85/1063729085.db2.gz VTHDWCCDWIAMRO-FZPJKSOWSA-N 1 3 361.917 2.930 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2cc(Cl)ccc2OC)CC[N@@H+]1C ZINC001497817590 1063769306 /nfs/dbraw/zinc/76/93/06/1063769306.db2.gz IVQSNLFTTLTKJI-XOKHGSTOSA-N 1 3 367.921 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2cc(Cl)ccc2OC)CC[N@H+]1C ZINC001497817590 1063769314 /nfs/dbraw/zinc/76/93/14/1063769314.db2.gz IVQSNLFTTLTKJI-XOKHGSTOSA-N 1 3 367.921 2.673 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001468004990 1063904624 /nfs/dbraw/zinc/90/46/24/1063904624.db2.gz RQMLQXIPSRDZIK-CTNGQTDRSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001468004990 1063904633 /nfs/dbraw/zinc/90/46/33/1063904633.db2.gz RQMLQXIPSRDZIK-CTNGQTDRSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC001470026147 1064246459 /nfs/dbraw/zinc/24/64/59/1064246459.db2.gz LQBSVQVSJHCTBT-INIZCTEOSA-N 1 3 374.504 2.833 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC001470026147 1064246463 /nfs/dbraw/zinc/24/64/63/1064246463.db2.gz LQBSVQVSJHCTBT-INIZCTEOSA-N 1 3 374.504 2.833 20 0 FFADHO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105587 1064561410 /nfs/dbraw/zinc/56/14/10/1064561410.db2.gz QWBREKNEAGLETI-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105587 1064561422 /nfs/dbraw/zinc/56/14/22/1064561422.db2.gz QWBREKNEAGLETI-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC001575807371 1078169537 /nfs/dbraw/zinc/16/95/37/1078169537.db2.gz PWTHWPINLZMKLH-ZZFHOQJDSA-N 1 3 359.514 2.749 20 0 FFADHO O[C@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)CC1(O)CCCCC1 ZINC001473807118 1065371740 /nfs/dbraw/zinc/37/17/40/1065371740.db2.gz JCBWVKGCFZXOMV-FSSWDIPSSA-N 1 3 372.553 2.887 20 0 FFADHO O[C@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)CC1(O)CCCCC1 ZINC001473807118 1065371749 /nfs/dbraw/zinc/37/17/49/1065371749.db2.gz JCBWVKGCFZXOMV-FSSWDIPSSA-N 1 3 372.553 2.887 20 0 FFADHO CCCCn1nc(C)c(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1Cl ZINC001473994246 1065436326 /nfs/dbraw/zinc/43/63/26/1065436326.db2.gz VHRBKUJEXONYSH-INIZCTEOSA-N 1 3 367.969 2.903 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CCN1Cc1ccccc1 ZINC001576723607 1078266085 /nfs/dbraw/zinc/26/60/85/1078266085.db2.gz JZFVUNKKIAICLS-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@@H]1CN(c2nnc(C)n2C[C@H](c2cccs2)N(C)C)CC[C@@H]1[NH3+] ZINC001577293543 1078332351 /nfs/dbraw/zinc/33/23/51/1078332351.db2.gz ZYJXVABMFLQLNO-OWCLPIDISA-N 1 3 362.547 2.515 20 0 FFADHO CC[C@@H]1CN(c2nnc(C)n2C[C@@H](c2cccs2)N(C)C)CC[C@@H]1[NH3+] ZINC001577293544 1078332372 /nfs/dbraw/zinc/33/23/72/1078332372.db2.gz ZYJXVABMFLQLNO-PMPSAXMXSA-N 1 3 362.547 2.515 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC001577495423 1078367169 /nfs/dbraw/zinc/36/71/69/1078367169.db2.gz JOXIRICJZGNIBL-XOKHGSTOSA-N 1 3 352.910 2.854 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CC[C@@H]([NH3+])C1)c1ccco1 ZINC001577684898 1078387695 /nfs/dbraw/zinc/38/76/95/1078387695.db2.gz OJOWNQHLZSEBPZ-SJORKVTESA-N 1 3 372.517 2.759 20 0 FFADHO CC[NH2+][C@H](C)Cn1c([C@H](C)CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577894497 1078411593 /nfs/dbraw/zinc/41/15/93/1078411593.db2.gz WYOZXQWAAWVIOX-HZPDHXFCSA-N 1 3 350.555 2.710 20 0 FFADHO CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@@H](C)[NH3+])cc1 ZINC001578250474 1078455555 /nfs/dbraw/zinc/45/55/55/1078455555.db2.gz UXSVXFOPFYFGPR-IKGGRYGDSA-N 1 3 370.545 2.774 20 0 FFADHO CN(C(=O)NC[C@H]1CCCCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001578380973 1078467556 /nfs/dbraw/zinc/46/75/56/1078467556.db2.gz JOQZOFVCOTYXCY-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO COc1ccc([C@H](NC[C@H](O)C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC001579200392 1078587945 /nfs/dbraw/zinc/58/79/45/1078587945.db2.gz XWHZFWGVJBAGJH-LEWJYISDSA-N 1 3 358.457 2.874 20 0 FFADHO Cc1ccc(CN(C)c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCC2)s1 ZINC001579691059 1078663296 /nfs/dbraw/zinc/66/32/96/1078663296.db2.gz JEKJRMROQROFSJ-KRWDZBQOSA-N 1 3 374.558 2.805 20 0 FFADHO Cc1nnc(N2CCC(C[NH3+])CC2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001579904670 1078711828 /nfs/dbraw/zinc/71/18/28/1078711828.db2.gz IGPQCKYLADMRCG-GOSISDBHSA-N 1 3 372.517 2.582 20 0 FFADHO [NH3+]C1(CC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC001580143779 1078756906 /nfs/dbraw/zinc/75/69/06/1078756906.db2.gz GOUJTAPOAHCQTA-KRWDZBQOSA-N 1 3 353.470 2.540 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)C1 ZINC001580198060 1078763921 /nfs/dbraw/zinc/76/39/21/1078763921.db2.gz BZFZFDCVOXWREO-GHTZIAJQSA-N 1 3 352.482 2.862 20 0 FFADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001580614981 1078837931 /nfs/dbraw/zinc/83/79/31/1078837931.db2.gz VPSKRBTZQKDYAO-UHFFFAOYSA-N 1 3 354.502 2.791 20 0 FFADHO Cc1cc(-c2nn[n-]n2)cc(C)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001580614981 1078837936 /nfs/dbraw/zinc/83/79/36/1078837936.db2.gz VPSKRBTZQKDYAO-UHFFFAOYSA-N 1 3 354.502 2.791 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580704382 1078849890 /nfs/dbraw/zinc/84/98/90/1078849890.db2.gz SMGIKRAXPCDPCT-UXHICEINSA-N 1 3 355.526 2.937 20 0 FFADHO [NH3+][C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1c1ccccc1F ZINC001549032232 1073602255 /nfs/dbraw/zinc/60/22/55/1073602255.db2.gz DWHGDSXPCYUKPI-FPOVZHCZSA-N 1 3 367.468 2.988 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001550059898 1074135327 /nfs/dbraw/zinc/13/53/27/1074135327.db2.gz IYTXPUAMRKCPNA-MSOLQXFVSA-N 1 3 371.868 2.764 20 0 FFADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC001550349487 1074222586 /nfs/dbraw/zinc/22/25/86/1074222586.db2.gz PDSVLCATMZVCLC-HUYLIWGRSA-N 1 3 369.513 2.691 20 0 FFADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC001550348512 1074223143 /nfs/dbraw/zinc/22/31/43/1074223143.db2.gz ABFDXPJROXCTMH-YGWPLHOASA-N 1 3 369.513 2.833 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnc(-c3ccco3)s1)[C@@H](O)C2 ZINC001550421882 1074259801 /nfs/dbraw/zinc/25/98/01/1074259801.db2.gz HRNOYKUJTPCUPE-YEWFCNIMSA-N 1 3 361.511 2.972 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnc(-c3ccco3)s1)[C@@H](O)C2 ZINC001550421882 1074259812 /nfs/dbraw/zinc/25/98/12/1074259812.db2.gz HRNOYKUJTPCUPE-YEWFCNIMSA-N 1 3 361.511 2.972 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC001550423825 1074262781 /nfs/dbraw/zinc/26/27/81/1074262781.db2.gz SFPNJJPZGBEXMG-CMOCDZPBSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC001550423825 1074262789 /nfs/dbraw/zinc/26/27/89/1074262789.db2.gz SFPNJJPZGBEXMG-CMOCDZPBSA-N 1 3 368.525 2.501 20 0 FFADHO C[C@H]1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CCN1Cc1ccccc1 ZINC001551550490 1074754064 /nfs/dbraw/zinc/75/40/64/1074754064.db2.gz NCDWPHUZVIXMEW-ACIXJAQOSA-N 1 3 370.541 2.952 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC001551566105 1074758592 /nfs/dbraw/zinc/75/85/92/1074758592.db2.gz BNDQVDUTSORYIP-FUHYEJFZSA-N 1 3 370.541 2.872 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC001551575752 1074760780 /nfs/dbraw/zinc/76/07/80/1074760780.db2.gz ZFMLPOYHZCYAJS-OPTGKZCPSA-N 1 3 356.514 2.781 20 0 FFADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C2 ZINC001552183968 1075012943 /nfs/dbraw/zinc/01/29/43/1075012943.db2.gz VJXLERCEVHOIRB-MDZRGWNJSA-N 1 3 362.543 2.655 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC001552396675 1075072282 /nfs/dbraw/zinc/07/22/82/1075072282.db2.gz SIRRRTWNRAOGIU-SLFFLAALSA-N 1 3 353.441 2.622 20 0 FFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC001553024997 1075201165 /nfs/dbraw/zinc/20/11/65/1075201165.db2.gz URHHTFPYJMXPFU-WERVVEIQSA-N 1 3 360.546 2.872 20 0 FFADHO C[NH+](C)Cc1ccc(-c2noc(-c3cnc([C@@H]4CCCN4)nc3)n2)cc1 ZINC001554094294 1075599756 /nfs/dbraw/zinc/59/97/56/1075599756.db2.gz UQCQRVCOFMWEOQ-INIZCTEOSA-N 1 3 350.426 2.680 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC001563081631 1075674122 /nfs/dbraw/zinc/67/41/22/1075674122.db2.gz ADBKFHYRBHWHGA-HOCLYGCPSA-N 1 3 362.509 2.772 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC001563081631 1075674123 /nfs/dbraw/zinc/67/41/23/1075674123.db2.gz ADBKFHYRBHWHGA-HOCLYGCPSA-N 1 3 362.509 2.772 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001560043503 1076216646 /nfs/dbraw/zinc/21/66/46/1076216646.db2.gz BGNLIMRITHWIFB-SMOSDQRPSA-N 1 3 351.535 2.763 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001560043503 1076216649 /nfs/dbraw/zinc/21/66/49/1076216649.db2.gz BGNLIMRITHWIFB-SMOSDQRPSA-N 1 3 351.535 2.763 20 0 FFADHO COC(=O)[C@@](C)(C[NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccccc1 ZINC001560759934 1076297640 /nfs/dbraw/zinc/29/76/40/1076297640.db2.gz QNPZFBRZVNSVLR-VTLFHKLASA-N 1 3 374.525 2.740 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccc(C)nc1C ZINC001566025765 1076861548 /nfs/dbraw/zinc/86/15/48/1076861548.db2.gz VUSJUYXHUDDOFT-VQTJNVASSA-N 1 3 360.546 2.899 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C[N@@H+]2C1 ZINC001567120583 1077002196 /nfs/dbraw/zinc/00/21/96/1077002196.db2.gz RSPFNIDCNPYAAX-KPFFTGBYSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C[N@H+]2C1 ZINC001567120583 1077002199 /nfs/dbraw/zinc/00/21/99/1077002199.db2.gz RSPFNIDCNPYAAX-KPFFTGBYSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3cccc(F)c3F)CCCC2)CC[N@@H+]1C ZINC001568000015 1077065076 /nfs/dbraw/zinc/06/50/76/1077065076.db2.gz CKGPXOAELVMADC-GDBMZVCRSA-N 1 3 365.468 2.824 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3cccc(F)c3F)CCCC2)CC[N@H+]1C ZINC001568000015 1077065080 /nfs/dbraw/zinc/06/50/80/1077065080.db2.gz CKGPXOAELVMADC-GDBMZVCRSA-N 1 3 365.468 2.824 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1cccc(Br)c1 ZINC000420366126 514111204 /nfs/dbraw/zinc/11/12/04/514111204.db2.gz QZZHJJYCDYMCEX-AWEZNQCLSA-N 1 3 354.292 2.755 20 0 FFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000420366126 514111210 /nfs/dbraw/zinc/11/12/10/514111210.db2.gz QZZHJJYCDYMCEX-AWEZNQCLSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@@H]1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000420392394 514126209 /nfs/dbraw/zinc/12/62/09/514126209.db2.gz BJHIFYRZKLAKDU-CHWSQXEVSA-N 1 3 354.292 2.694 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000101602738 250081000 /nfs/dbraw/zinc/08/10/00/250081000.db2.gz JQAUOZNPWTXOAD-LJQANCHMSA-N 1 3 360.502 2.769 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000101602738 250081002 /nfs/dbraw/zinc/08/10/02/250081002.db2.gz JQAUOZNPWTXOAD-LJQANCHMSA-N 1 3 360.502 2.769 20 0 FFADHO Cc1cccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108420826 250313388 /nfs/dbraw/zinc/31/33/88/250313388.db2.gz XBFUEHRVDURLSD-NRFANRHFSA-N 1 3 351.494 2.982 20 0 FFADHO Cc1cccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108420826 250313395 /nfs/dbraw/zinc/31/33/95/250313395.db2.gz XBFUEHRVDURLSD-NRFANRHFSA-N 1 3 351.494 2.982 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272475827 252047453 /nfs/dbraw/zinc/04/74/53/252047453.db2.gz QSTRKOKSCSFXIA-XLIONFOSSA-N 1 3 358.530 2.762 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272475827 252047456 /nfs/dbraw/zinc/04/74/56/252047456.db2.gz QSTRKOKSCSFXIA-XLIONFOSSA-N 1 3 358.530 2.762 20 0 FFADHO CNC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000272575961 252072950 /nfs/dbraw/zinc/07/29/50/252072950.db2.gz PRXKFIWBDULJJT-ZOBFTUDESA-N 1 3 355.526 2.791 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000273089747 252213801 /nfs/dbraw/zinc/21/38/01/252213801.db2.gz ZOXKTAGTNUQWFO-UHFFFAOYSA-N 1 3 353.466 2.875 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285961403 257013187 /nfs/dbraw/zinc/01/31/87/257013187.db2.gz NDQJYJWJLTUDBP-GOTSBHOMSA-N 1 3 370.585 2.753 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285961403 257013188 /nfs/dbraw/zinc/01/31/88/257013188.db2.gz NDQJYJWJLTUDBP-GOTSBHOMSA-N 1 3 370.585 2.753 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000286356160 257033089 /nfs/dbraw/zinc/03/30/89/257033089.db2.gz YZYAALRXPHNBEM-FGTMMUONSA-N 1 3 357.502 2.807 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000287142640 257074065 /nfs/dbraw/zinc/07/40/65/257074065.db2.gz NSSREBZGWBJKLR-SFHVURJKSA-N 1 3 350.482 2.600 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000287857635 257122210 /nfs/dbraw/zinc/12/22/10/257122210.db2.gz XDNKVMNTOVMDSF-WMZOPIPTSA-N 1 3 372.431 2.843 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287964370 257133931 /nfs/dbraw/zinc/13/39/31/257133931.db2.gz YYKRITWKQGQEGE-AHRSYUTCSA-N 1 3 368.949 2.970 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287964370 257133932 /nfs/dbraw/zinc/13/39/32/257133932.db2.gz YYKRITWKQGQEGE-AHRSYUTCSA-N 1 3 368.949 2.970 20 0 FFADHO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000287933062 257130894 /nfs/dbraw/zinc/13/08/94/257130894.db2.gz GQEOSFGOLCFUIR-UWPGDLITSA-N 1 3 358.530 2.944 20 0 FFADHO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000287933062 257130896 /nfs/dbraw/zinc/13/08/96/257130896.db2.gz GQEOSFGOLCFUIR-UWPGDLITSA-N 1 3 358.530 2.944 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H]1CCOC1 ZINC000287421653 257088456 /nfs/dbraw/zinc/08/84/56/257088456.db2.gz KCTXVCGBBCMDRE-OOYIDZMOSA-N 1 3 372.553 2.912 20 0 FFADHO OC1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000287476889 257091412 /nfs/dbraw/zinc/09/14/12/257091412.db2.gz MPWVBGMKAZTKDM-QHAWAJNXSA-N 1 3 358.526 2.808 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000289338252 257275498 /nfs/dbraw/zinc/27/54/98/257275498.db2.gz VWHGRNIFXPLQQR-MOPGFXCFSA-N 1 3 358.482 2.919 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c[nH]nc1-c1ccccc1F ZINC000289437767 257281324 /nfs/dbraw/zinc/28/13/24/257281324.db2.gz LPVOAYHVHKRZFQ-UHFFFAOYSA-N 1 3 359.493 2.674 20 0 FFADHO Cc1cccc(-c2n[nH]cc2CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289789208 257299613 /nfs/dbraw/zinc/29/96/13/257299613.db2.gz LVERMCAGYQJNIK-UHFFFAOYSA-N 1 3 355.530 2.843 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC1CCN(c2ccccn2)CC1 ZINC000290154809 257317679 /nfs/dbraw/zinc/31/76/79/257317679.db2.gz CVBKRICHBVBXDN-UHFFFAOYSA-N 1 3 369.513 2.566 20 0 FFADHO C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000290271124 257322981 /nfs/dbraw/zinc/32/29/81/257322981.db2.gz LLYRPRFKPDPOSY-PAXLWEDBSA-N 1 3 356.466 2.772 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000333249542 258258457 /nfs/dbraw/zinc/25/84/57/258258457.db2.gz CEPBPNXBSWCXSN-KXBFYZLASA-N 1 3 370.497 2.649 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000333249542 258258458 /nfs/dbraw/zinc/25/84/58/258258458.db2.gz CEPBPNXBSWCXSN-KXBFYZLASA-N 1 3 370.497 2.649 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000366818023 512199200 /nfs/dbraw/zinc/19/92/00/512199200.db2.gz JEKIISAYRLDMCT-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000366858796 512221689 /nfs/dbraw/zinc/22/16/89/512221689.db2.gz QIDKEUPXKRHMOS-UHFFFAOYSA-N 1 3 371.569 2.904 20 0 FFADHO C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366881531 512232142 /nfs/dbraw/zinc/23/21/42/512232142.db2.gz JPQIYNXDCGOHNJ-INIZCTEOSA-N 1 3 358.486 2.531 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000053753786 506439410 /nfs/dbraw/zinc/43/94/10/506439410.db2.gz UYDNTHBDCQLABX-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000053753786 506439416 /nfs/dbraw/zinc/43/94/16/506439416.db2.gz UYDNTHBDCQLABX-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000066187961 506442243 /nfs/dbraw/zinc/44/22/43/506442243.db2.gz PFQIYYMAINWEOQ-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000066187961 506442248 /nfs/dbraw/zinc/44/22/48/506442248.db2.gz PFQIYYMAINWEOQ-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000054511204 506570733 /nfs/dbraw/zinc/57/07/33/506570733.db2.gz RSWZIMXXRAZSPV-IBGZPJMESA-N 1 3 372.557 2.991 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000054511204 506570741 /nfs/dbraw/zinc/57/07/41/506570741.db2.gz RSWZIMXXRAZSPV-IBGZPJMESA-N 1 3 372.557 2.991 20 0 FFADHO CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885048 506681072 /nfs/dbraw/zinc/68/10/72/506681072.db2.gz CYWLZGQKPGWVQV-KRWDZBQOSA-N 1 3 373.541 2.691 20 0 FFADHO CC[C@@H](CNC(=O)NCCC[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000045121678 506920883 /nfs/dbraw/zinc/92/08/83/506920883.db2.gz BVPKUHKMNWNTPZ-FQEVSTJZSA-N 1 3 358.530 2.608 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnc(-c3cnn(C)c3)nc2)C1 ZINC000373395519 512309925 /nfs/dbraw/zinc/30/99/25/512309925.db2.gz QPAJVLXZDQANFM-IAGOWNOFSA-N 1 3 356.518 2.725 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000067684822 506975089 /nfs/dbraw/zinc/97/50/89/506975089.db2.gz MJBLQMJKPKADIK-NLWGTHIKSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000067684822 506975094 /nfs/dbraw/zinc/97/50/94/506975094.db2.gz MJBLQMJKPKADIK-NLWGTHIKSA-N 1 3 358.530 2.851 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067735083 506992215 /nfs/dbraw/zinc/99/22/15/506992215.db2.gz DMKLTUCSHCQUGG-NRFANRHFSA-N 1 3 372.557 2.930 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067735083 506992217 /nfs/dbraw/zinc/99/22/17/506992217.db2.gz DMKLTUCSHCQUGG-NRFANRHFSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CCN(C)CC1 ZINC000047885226 507408168 /nfs/dbraw/zinc/40/81/68/507408168.db2.gz DQFSQJDFGZBSAD-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCN(C)CC1 ZINC000047885226 507408173 /nfs/dbraw/zinc/40/81/73/507408173.db2.gz DQFSQJDFGZBSAD-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000052523468 507812299 /nfs/dbraw/zinc/81/22/99/507812299.db2.gz LJLWOMOFBFYZQI-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000052523468 507812301 /nfs/dbraw/zinc/81/23/01/507812301.db2.gz LJLWOMOFBFYZQI-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCCN(C)C2)c2ccccc2)CC1 ZINC000052582050 507814557 /nfs/dbraw/zinc/81/45/57/507814557.db2.gz HCMNNQRFQVZRLW-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000107325962 507844002 /nfs/dbraw/zinc/84/40/02/507844002.db2.gz RBHTVCNNPHIJHU-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108541487 507902424 /nfs/dbraw/zinc/90/24/24/507902424.db2.gz FGEOEINFRAWNOL-DLBZAZTESA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108541487 507902426 /nfs/dbraw/zinc/90/24/26/507902426.db2.gz FGEOEINFRAWNOL-DLBZAZTESA-N 1 3 362.543 2.669 20 0 FFADHO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038729 507903818 /nfs/dbraw/zinc/90/38/18/507903818.db2.gz MKHJOVATRNARGY-QGZVFWFLSA-N 1 3 369.509 2.707 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090553842 507927456 /nfs/dbraw/zinc/92/74/56/507927456.db2.gz KXYLRIPBTLQUQD-UHFFFAOYSA-N 1 3 363.571 2.700 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000079220928 507945191 /nfs/dbraw/zinc/94/51/91/507945191.db2.gz ZJTYSACZIXWSCY-HXUWFJFHSA-N 1 3 360.546 2.579 20 0 FFADHO OC1CC[NH+](CCCN[C@H]2CCc3c2cccc3Br)CC1 ZINC000091306510 507979718 /nfs/dbraw/zinc/97/97/18/507979718.db2.gz NJXGYKKAZMYJBD-KRWDZBQOSA-N 1 3 353.304 2.873 20 0 FFADHO CCn1nccc1CCN(C)[C@H]1CCC[N@H+](CCc2ccnn2CC)CC1 ZINC000367182221 512373199 /nfs/dbraw/zinc/37/31/99/512373199.db2.gz XZTHVLJGZUPBNS-IBGZPJMESA-N 1 3 372.561 2.691 20 0 FFADHO CCn1nccc1CCN(C)[C@H]1CCC[N@@H+](CCc2ccnn2CC)CC1 ZINC000367182221 512373203 /nfs/dbraw/zinc/37/32/03/512373203.db2.gz XZTHVLJGZUPBNS-IBGZPJMESA-N 1 3 372.561 2.691 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccccc1F)C[NH+]1CCCC1 ZINC000080051881 508030125 /nfs/dbraw/zinc/03/01/25/508030125.db2.gz IFHRWYJTWIOMSP-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN1CCC([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092560837 508082242 /nfs/dbraw/zinc/08/22/42/508082242.db2.gz VUXJTELWNHJDNA-UHFFFAOYSA-N 1 3 353.551 2.503 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH+](CC)CC)C3)cc2)CC1 ZINC000075215743 508090454 /nfs/dbraw/zinc/09/04/54/508090454.db2.gz NYENKRHSTAELRX-IBGZPJMESA-N 1 3 372.557 2.632 20 0 FFADHO C[C@H]1CCCN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821631 508102920 /nfs/dbraw/zinc/10/29/20/508102920.db2.gz AIIJIWVDLRHDGE-SFHVURJKSA-N 1 3 358.530 2.878 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111635904 508112305 /nfs/dbraw/zinc/11/23/05/508112305.db2.gz FXYMOCXPJNIWQJ-OAQYLSRUSA-N 1 3 372.557 2.579 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111635904 508112307 /nfs/dbraw/zinc/11/23/07/508112307.db2.gz FXYMOCXPJNIWQJ-OAQYLSRUSA-N 1 3 372.557 2.579 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093125309 508122213 /nfs/dbraw/zinc/12/22/13/508122213.db2.gz XKOTUOOYLNQKMI-IBGZPJMESA-N 1 3 373.545 2.862 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093125309 508122217 /nfs/dbraw/zinc/12/22/17/508122217.db2.gz XKOTUOOYLNQKMI-IBGZPJMESA-N 1 3 373.545 2.862 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000075684786 508129045 /nfs/dbraw/zinc/12/90/45/508129045.db2.gz DUNHUEQPVBJHFJ-ROUUACIJSA-N 1 3 358.526 2.985 20 0 FFADHO C[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N(C)Cc1ccccc1 ZINC000111875246 508133030 /nfs/dbraw/zinc/13/30/30/508133030.db2.gz KRBRMLHTYPERGB-GOSISDBHSA-N 1 3 360.546 2.880 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)c1ccsc1 ZINC000112742929 508218606 /nfs/dbraw/zinc/21/86/06/508218606.db2.gz FUNSVAUHMDXXLO-QGZVFWFLSA-N 1 3 352.548 2.868 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000098034233 508232119 /nfs/dbraw/zinc/23/21/19/508232119.db2.gz NXYWXXPDIPMRQJ-FGTMMUONSA-N 1 3 360.546 2.914 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000098034233 508232121 /nfs/dbraw/zinc/23/21/21/508232121.db2.gz NXYWXXPDIPMRQJ-FGTMMUONSA-N 1 3 360.546 2.914 20 0 FFADHO CSc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000076893836 508260254 /nfs/dbraw/zinc/26/02/54/508260254.db2.gz SCKDCOZRVLPLKL-UHFFFAOYSA-N 1 3 357.523 2.990 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000104533913 508337978 /nfs/dbraw/zinc/33/79/78/508337978.db2.gz MXFARXBUYGFGRA-UHFFFAOYSA-N 1 3 364.877 2.560 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000105068690 508358815 /nfs/dbraw/zinc/35/88/15/508358815.db2.gz QNRSPHCYMXMRFK-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000105068690 508358818 /nfs/dbraw/zinc/35/88/18/508358818.db2.gz QNRSPHCYMXMRFK-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CC1CCC([NH+]2CCN(C[C@H](O)CN(C)Cc3ccccc3)CC2)CC1 ZINC000115609420 508418236 /nfs/dbraw/zinc/41/82/36/508418236.db2.gz SNBWWZXAQBTBTP-KITAHSCOSA-N 1 3 359.558 2.676 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000156545518 508436919 /nfs/dbraw/zinc/43/69/19/508436919.db2.gz RJGDVTKCSGSSFZ-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000156545518 508436923 /nfs/dbraw/zinc/43/69/23/508436923.db2.gz RJGDVTKCSGSSFZ-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CN1CCC(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000156564233 508441200 /nfs/dbraw/zinc/44/12/00/508441200.db2.gz MTJNLWLRCFARCI-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO CN1CCC(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000156564233 508441204 /nfs/dbraw/zinc/44/12/04/508441204.db2.gz MTJNLWLRCFARCI-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCc4occc43)CC2)CC1 ZINC000127494893 508458661 /nfs/dbraw/zinc/45/86/61/508458661.db2.gz PFOGIUOTJYDXME-GOSISDBHSA-N 1 3 360.502 2.515 20 0 FFADHO CN(c1ccccc1CNC[C@@H](O)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000133982917 508477230 /nfs/dbraw/zinc/47/72/30/508477230.db2.gz GURHWWLJDBATME-QFIPXVFZSA-N 1 3 367.537 2.910 20 0 FFADHO CN(c1ccccc1C[NH2+]C[C@@H](O)Cc1ccccc1)C1CCN(C)CC1 ZINC000133982917 508477232 /nfs/dbraw/zinc/47/72/32/508477232.db2.gz GURHWWLJDBATME-QFIPXVFZSA-N 1 3 367.537 2.910 20 0 FFADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000116545897 508528628 /nfs/dbraw/zinc/52/86/28/508528628.db2.gz NSFUDCPDRHCSBV-IAGOWNOFSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000116545897 508528631 /nfs/dbraw/zinc/52/86/31/508528631.db2.gz NSFUDCPDRHCSBV-IAGOWNOFSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000116548622 508528659 /nfs/dbraw/zinc/52/86/59/508528659.db2.gz JXZUJAPALDXLCV-MSOLQXFVSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000116548622 508528662 /nfs/dbraw/zinc/52/86/62/508528662.db2.gz JXZUJAPALDXLCV-MSOLQXFVSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000122743405 508581057 /nfs/dbraw/zinc/58/10/57/508581057.db2.gz GRSYLWNGLKPDLK-KRWDZBQOSA-N 1 3 373.522 2.750 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1OC ZINC000157862350 508624269 /nfs/dbraw/zinc/62/42/69/508624269.db2.gz PFDLLTIIPGYKIU-MRXNPFEDSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1OC ZINC000157862350 508624272 /nfs/dbraw/zinc/62/42/72/508624272.db2.gz PFDLLTIIPGYKIU-MRXNPFEDSA-N 1 3 366.481 2.714 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000154461900 508790212 /nfs/dbraw/zinc/79/02/12/508790212.db2.gz DDESELVKDJITPI-SFHVURJKSA-N 1 3 374.529 2.712 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000131103790 508886867 /nfs/dbraw/zinc/88/68/67/508886867.db2.gz ONLQZIAGMDHZSZ-IBGZPJMESA-N 1 3 367.578 2.848 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000131103790 508886872 /nfs/dbraw/zinc/88/68/72/508886872.db2.gz ONLQZIAGMDHZSZ-IBGZPJMESA-N 1 3 367.578 2.848 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000131099785 508886971 /nfs/dbraw/zinc/88/69/71/508886971.db2.gz GXGUNZPRKJBFOH-WIYYLYMNSA-N 1 3 370.541 2.915 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000131099785 508886976 /nfs/dbraw/zinc/88/69/76/508886976.db2.gz GXGUNZPRKJBFOH-WIYYLYMNSA-N 1 3 370.541 2.915 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000120181337 508945051 /nfs/dbraw/zinc/94/50/51/508945051.db2.gz ZHQVNTMFRAKFSI-QFBILLFUSA-N 1 3 358.530 2.953 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155292040 508968451 /nfs/dbraw/zinc/96/84/51/508968451.db2.gz RHZZGZKOTUGSHP-RTWAWAEBSA-N 1 3 372.557 2.819 20 0 FFADHO CCCN1CCC([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)CC1 ZINC000120817081 509069510 /nfs/dbraw/zinc/06/95/10/509069510.db2.gz NOJJLLJESDSSQO-NRFANRHFSA-N 1 3 361.530 2.533 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000120877912 509081787 /nfs/dbraw/zinc/08/17/87/509081787.db2.gz GLBWBJWMOZVKKQ-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000120877912 509081789 /nfs/dbraw/zinc/08/17/89/509081789.db2.gz GLBWBJWMOZVKKQ-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126632930 509105249 /nfs/dbraw/zinc/10/52/49/509105249.db2.gz REQIOLLGPGECAG-XLIONFOSSA-N 1 3 371.525 2.716 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126632930 509105255 /nfs/dbraw/zinc/10/52/55/509105255.db2.gz REQIOLLGPGECAG-XLIONFOSSA-N 1 3 371.525 2.716 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000126806388 509131091 /nfs/dbraw/zinc/13/10/91/509131091.db2.gz LUUPQYPDVJDEOF-SFHVURJKSA-N 1 3 357.498 2.715 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000121155271 509139717 /nfs/dbraw/zinc/13/97/17/509139717.db2.gz QAYRBSYREXBHPA-INIZCTEOSA-N 1 3 366.525 2.875 20 0 FFADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000247973672 509207042 /nfs/dbraw/zinc/20/70/42/509207042.db2.gz HOLQWWPAFPEBFZ-PZJWPPBQSA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000247973672 509207046 /nfs/dbraw/zinc/20/70/46/509207046.db2.gz HOLQWWPAFPEBFZ-PZJWPPBQSA-N 1 3 359.558 2.722 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000182448476 509243119 /nfs/dbraw/zinc/24/31/19/509243119.db2.gz NHJFHKKOLISWGB-VQIMIIECSA-N 1 3 350.528 2.585 20 0 FFADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000162771745 509297663 /nfs/dbraw/zinc/29/76/63/509297663.db2.gz TXKBSKLCWCMNCW-QGZVFWFLSA-N 1 3 350.470 2.835 20 0 FFADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000162771745 509297667 /nfs/dbraw/zinc/29/76/67/509297667.db2.gz TXKBSKLCWCMNCW-QGZVFWFLSA-N 1 3 350.470 2.835 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C[C@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000162791876 509302724 /nfs/dbraw/zinc/30/27/24/509302724.db2.gz UMRWVUZHPRVEML-IEZWGBDMSA-N 1 3 352.906 2.634 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C[C@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000162791876 509302726 /nfs/dbraw/zinc/30/27/26/509302726.db2.gz UMRWVUZHPRVEML-IEZWGBDMSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@H]2C[N@H+](C[C@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000162791876 509302732 /nfs/dbraw/zinc/30/27/32/509302732.db2.gz UMRWVUZHPRVEML-IEZWGBDMSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000162791876 509302736 /nfs/dbraw/zinc/30/27/36/509302736.db2.gz UMRWVUZHPRVEML-IEZWGBDMSA-N 1 3 352.906 2.634 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N1CCCCCC1 ZINC000248419720 509309194 /nfs/dbraw/zinc/30/91/94/509309194.db2.gz LFSJXIXYYYVNLQ-NQIIRXRSSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N1CCCCCC1 ZINC000248419720 509309197 /nfs/dbraw/zinc/30/91/97/509309197.db2.gz LFSJXIXYYYVNLQ-NQIIRXRSSA-N 1 3 373.541 2.524 20 0 FFADHO CCC[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185812943 509367493 /nfs/dbraw/zinc/36/74/93/509367493.db2.gz MVLKFWAWTZHZSL-IBGZPJMESA-N 1 3 350.551 2.909 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000163929370 509442067 /nfs/dbraw/zinc/44/20/67/509442067.db2.gz BBRYFCZHTJAMCM-GGAORHGYSA-N 1 3 372.601 2.904 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000248707281 509446561 /nfs/dbraw/zinc/44/65/61/509446561.db2.gz BBHBFIQAMWMZFM-AZUAARDMSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248707281 509446563 /nfs/dbraw/zinc/44/65/63/509446563.db2.gz BBHBFIQAMWMZFM-AZUAARDMSA-N 1 3 358.530 2.540 20 0 FFADHO CN(CC[NH+](C)C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000176339830 509454361 /nfs/dbraw/zinc/45/43/61/509454361.db2.gz HBLFMEVBWUQAHC-UHFFFAOYSA-N 1 3 366.937 2.755 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248766349 509478031 /nfs/dbraw/zinc/47/80/31/509478031.db2.gz GYKQAWZRLWSCNK-WIYYLYMNSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000248801376 509489638 /nfs/dbraw/zinc/48/96/38/509489638.db2.gz JSAZSHCQHMXASM-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000236728081 509491180 /nfs/dbraw/zinc/49/11/80/509491180.db2.gz ZIPCUBMLBJERKS-UXHICEINSA-N 1 3 355.526 2.966 20 0 FFADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000164495566 509508861 /nfs/dbraw/zinc/50/88/61/509508861.db2.gz VCUFNESULTYKSA-HNNXBMFYSA-N 1 3 353.532 2.510 20 0 FFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164848966 509539563 /nfs/dbraw/zinc/53/95/63/509539563.db2.gz IKKRJBWNIMXEFU-JTDSTZFVSA-N 1 3 363.571 2.861 20 0 FFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164848966 509539570 /nfs/dbraw/zinc/53/95/70/509539570.db2.gz IKKRJBWNIMXEFU-JTDSTZFVSA-N 1 3 363.571 2.861 20 0 FFADHO CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000236976601 509544657 /nfs/dbraw/zinc/54/46/57/509544657.db2.gz QQOLNWBUBMFPOE-FQEVSTJZSA-N 1 3 352.482 2.685 20 0 FFADHO Cc1cccc(N2CCN(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)c1 ZINC000192636443 509574663 /nfs/dbraw/zinc/57/46/63/509574663.db2.gz XHJURQONFSGHHD-SEJPIABJSA-N 1 3 356.558 2.722 20 0 FFADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000179709098 509584632 /nfs/dbraw/zinc/58/46/32/509584632.db2.gz SMBPYIAMCYSFBL-LJQANCHMSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000179709098 509584640 /nfs/dbraw/zinc/58/46/40/509584640.db2.gz SMBPYIAMCYSFBL-LJQANCHMSA-N 1 3 373.541 2.658 20 0 FFADHO COc1ccc(CCNC(=[NH2+])NCC2CCN(c3ccncc3)CC2)cc1 ZINC000179712371 509586285 /nfs/dbraw/zinc/58/62/85/509586285.db2.gz XWFYFERHYLZEQO-UHFFFAOYSA-N 1 3 367.497 2.663 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000176591200 509599688 /nfs/dbraw/zinc/59/96/88/509599688.db2.gz WBRAAHRNVWLZNA-PMACEKPBSA-N 1 3 360.546 2.941 20 0 FFADHO COc1cccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237284254 509612448 /nfs/dbraw/zinc/61/24/48/509612448.db2.gz CCJDBJOXVANXFN-NHCUHLMSSA-N 1 3 367.493 2.691 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000186272284 509615384 /nfs/dbraw/zinc/61/53/84/509615384.db2.gz ZPZKJBYCPFZCDE-UXHICEINSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000249133353 509617157 /nfs/dbraw/zinc/61/71/57/509617157.db2.gz SXXMKFIMHIIBJL-YYWHXJBOSA-N 1 3 366.509 2.888 20 0 FFADHO CN(C(=O)C1(N)Cc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000167668403 509637181 /nfs/dbraw/zinc/63/71/81/509637181.db2.gz QXFXRKAHRAGWRX-UHFFFAOYSA-N 1 3 363.505 2.606 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000192787468 509642924 /nfs/dbraw/zinc/64/29/24/509642924.db2.gz SIXXDTGWBDTYHR-GOSISDBHSA-N 1 3 374.529 2.710 20 0 FFADHO CCOC(=O)C[C@@H](C)N(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000183179563 509643971 /nfs/dbraw/zinc/64/39/71/509643971.db2.gz QLJKYBGDQBOZHG-QGZVFWFLSA-N 1 3 361.530 2.991 20 0 FFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000168544718 509649000 /nfs/dbraw/zinc/64/90/00/509649000.db2.gz FQHCVGIDIIZPEJ-HNAYVOBHSA-N 1 3 360.502 2.813 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169140529 509656599 /nfs/dbraw/zinc/65/65/99/509656599.db2.gz BQTJOAHLJVHMMG-INMHGKMJSA-N 1 3 369.431 2.814 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)CCCCCC[NH3+])cc1)[C@@H]1CCCN(C)C1 ZINC000169209534 509657577 /nfs/dbraw/zinc/65/75/77/509657577.db2.gz LAUOAVNJXMROIO-LJQANCHMSA-N 1 3 374.529 2.701 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)c(C)c1 ZINC000173615420 509677859 /nfs/dbraw/zinc/67/78/59/509677859.db2.gz BBUXFXDSWDQZDV-GOSISDBHSA-N 1 3 364.509 2.692 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)c(C)c1 ZINC000173615420 509677866 /nfs/dbraw/zinc/67/78/66/509677866.db2.gz BBUXFXDSWDQZDV-GOSISDBHSA-N 1 3 364.509 2.692 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000249690975 509736267 /nfs/dbraw/zinc/73/62/67/509736267.db2.gz RTZFGRWTHSOXRV-SJORKVTESA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC000249690975 509736270 /nfs/dbraw/zinc/73/62/70/509736270.db2.gz RTZFGRWTHSOXRV-SJORKVTESA-N 1 3 364.534 2.782 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000237808321 509740432 /nfs/dbraw/zinc/74/04/32/509740432.db2.gz NHPLRTJNUNGVSF-NRFANRHFSA-N 1 3 351.494 2.859 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000170756379 509758976 /nfs/dbraw/zinc/75/89/76/509758976.db2.gz PYEGSNIIULNPJU-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)cc12 ZINC000237891149 509763768 /nfs/dbraw/zinc/76/37/68/509763768.db2.gz BNVATPALZNIENQ-IBGZPJMESA-N 1 3 363.509 2.931 20 0 FFADHO COc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1OC(F)F ZINC000268457149 509941647 /nfs/dbraw/zinc/94/16/47/509941647.db2.gz YJMAKDDCWNGAHK-UHFFFAOYSA-N 1 3 358.429 2.622 20 0 FFADHO CC(C)N(CC1CCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000193560643 509966153 /nfs/dbraw/zinc/96/61/53/509966153.db2.gz IPCSIDPZKFXIHG-UHFFFAOYSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)C[C@@H](C)O1 ZINC000177263926 509968622 /nfs/dbraw/zinc/96/86/22/509968622.db2.gz AWTKBTMIPCYXNH-KCZVDYSFSA-N 1 3 359.558 2.782 20 0 FFADHO C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171275508 510049199 /nfs/dbraw/zinc/04/91/99/510049199.db2.gz BFIDHFWGKJIDCJ-QQXKLLMISA-N 1 3 365.562 2.596 20 0 FFADHO C[N@H+](Cc1ccccc1CNC(=O)[C@@H](N)C1CCOCC1)C1CCCCC1 ZINC000261798955 510067796 /nfs/dbraw/zinc/06/77/96/510067796.db2.gz OCCGOCKSGAQTFN-NRFANRHFSA-N 1 3 373.541 2.821 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H](N)C1CCOCC1)C1CCCCC1 ZINC000261798955 510067800 /nfs/dbraw/zinc/06/78/00/510067800.db2.gz OCCGOCKSGAQTFN-NRFANRHFSA-N 1 3 373.541 2.821 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@@H](C)O1 ZINC000171304144 510069185 /nfs/dbraw/zinc/06/91/85/510069185.db2.gz ZRJBILFJPZRNCU-QZTJIDSGSA-N 1 3 359.514 2.836 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245664466 510071509 /nfs/dbraw/zinc/07/15/09/510071509.db2.gz GKOITZIDHAHLRO-ADHNFCLRSA-N 1 3 370.585 2.798 20 0 FFADHO COCCN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245697814 510091546 /nfs/dbraw/zinc/09/15/46/510091546.db2.gz LILGSTHTQAFIJA-CIAFKFPVSA-N 1 3 357.542 2.882 20 0 FFADHO COCCN1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245697814 510091551 /nfs/dbraw/zinc/09/15/51/510091551.db2.gz LILGSTHTQAFIJA-CIAFKFPVSA-N 1 3 357.542 2.882 20 0 FFADHO COCCN1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245697814 510091557 /nfs/dbraw/zinc/09/15/57/510091557.db2.gz LILGSTHTQAFIJA-CIAFKFPVSA-N 1 3 357.542 2.882 20 0 FFADHO Cc1cc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000174398452 510095490 /nfs/dbraw/zinc/09/54/90/510095490.db2.gz YPBSDTJVFGVJTF-SFHVURJKSA-N 1 3 356.470 2.766 20 0 FFADHO Cc1cc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000174398452 510095493 /nfs/dbraw/zinc/09/54/93/510095493.db2.gz YPBSDTJVFGVJTF-SFHVURJKSA-N 1 3 356.470 2.766 20 0 FFADHO C[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000261920849 510116425 /nfs/dbraw/zinc/11/64/25/510116425.db2.gz YUCZJPZYIBJHGN-IBGZPJMESA-N 1 3 369.553 2.932 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000262008331 510147389 /nfs/dbraw/zinc/14/73/89/510147389.db2.gz HATZSQKNHRDVIH-UHFFFAOYSA-N 1 3 372.557 2.679 20 0 FFADHO CCOc1ccc([C@H](CC)[NH2+]CC2(O)CCN(C)CC2)cc1OCC ZINC000268991262 510180863 /nfs/dbraw/zinc/18/08/63/510180863.db2.gz MKTGNRDMLJUPQF-KRWDZBQOSA-N 1 3 350.503 2.981 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194025721 510181166 /nfs/dbraw/zinc/18/11/66/510181166.db2.gz XMOHMZOFQRYJRA-VQIMIIECSA-N 1 3 353.938 2.891 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000269000074 510186661 /nfs/dbraw/zinc/18/66/61/510186661.db2.gz OTKVAQZWMRBART-OAHLLOKOSA-N 1 3 369.303 2.709 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000245963343 510230026 /nfs/dbraw/zinc/23/00/26/510230026.db2.gz MYHSNZAEMMIJDH-QRVBRYPASA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000245963343 510230032 /nfs/dbraw/zinc/23/00/32/510230032.db2.gz MYHSNZAEMMIJDH-QRVBRYPASA-N 1 3 350.551 2.624 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171621975 510257194 /nfs/dbraw/zinc/25/71/94/510257194.db2.gz SZQRZTBQXFRRSM-OAQYLSRUSA-N 1 3 370.541 2.705 20 0 FFADHO C=Cn1cc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)cn1 ZINC000194194773 510257645 /nfs/dbraw/zinc/25/76/45/510257645.db2.gz UWXSRNKVHLQIHU-UHFFFAOYSA-N 1 3 353.514 2.984 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@@H]1c1ccccc1 ZINC000246053975 510266488 /nfs/dbraw/zinc/26/64/88/510266488.db2.gz YMXRXGSCMSZQRC-WTGUMLROSA-N 1 3 356.514 2.558 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@@H]1c1ccccc1 ZINC000246053975 510266491 /nfs/dbraw/zinc/26/64/91/510266491.db2.gz YMXRXGSCMSZQRC-WTGUMLROSA-N 1 3 356.514 2.558 20 0 FFADHO Cc1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])n(C2CCN(C)CC2)n1 ZINC000262430451 510279124 /nfs/dbraw/zinc/27/91/24/510279124.db2.gz SYVVUHZUEFNOIP-JOUKPKRSSA-N 1 3 359.518 2.550 20 0 FFADHO CN1CCC(Nc2nc3ccccc3c(NC3CC[NH+](C)CC3)n2)CC1 ZINC000269352567 510356077 /nfs/dbraw/zinc/35/60/77/510356077.db2.gz KBTKBASOKXWVSJ-UHFFFAOYSA-N 1 3 354.502 2.642 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000246203838 510359785 /nfs/dbraw/zinc/35/97/85/510359785.db2.gz NBKVZHLGPPDLBB-RCCFBDPRSA-N 1 3 370.607 2.718 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000246203838 510359788 /nfs/dbraw/zinc/35/97/88/510359788.db2.gz NBKVZHLGPPDLBB-RCCFBDPRSA-N 1 3 370.607 2.718 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000174912758 510383965 /nfs/dbraw/zinc/38/39/65/510383965.db2.gz GHQNVFCOGPNOPI-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000171830944 510395944 /nfs/dbraw/zinc/39/59/44/510395944.db2.gz OOJZZELKICATLX-OAQYLSRUSA-N 1 3 372.557 2.867 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000246271376 510400289 /nfs/dbraw/zinc/40/02/89/510400289.db2.gz JAONYZUZIJZHKC-RLLQIKCJSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000246271376 510400296 /nfs/dbraw/zinc/40/02/96/510400296.db2.gz JAONYZUZIJZHKC-RLLQIKCJSA-N 1 3 358.530 2.805 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1(C)C ZINC000262775513 510407372 /nfs/dbraw/zinc/40/73/72/510407372.db2.gz JGBCUFRMDABSHZ-IIMDRIAPSA-N 1 3 365.562 2.632 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1(C)C ZINC000262775513 510407378 /nfs/dbraw/zinc/40/73/78/510407378.db2.gz JGBCUFRMDABSHZ-IIMDRIAPSA-N 1 3 365.562 2.632 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCC(C)CC1 ZINC000246337911 510436309 /nfs/dbraw/zinc/43/63/09/510436309.db2.gz LLIOXULOGGPUJS-WSTZPKSXSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCC(C)CC1 ZINC000246337911 510436315 /nfs/dbraw/zinc/43/63/15/510436315.db2.gz LLIOXULOGGPUJS-WSTZPKSXSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000171909219 510447025 /nfs/dbraw/zinc/44/70/25/510447025.db2.gz RJIRYECVEHINMM-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C1 ZINC000246362903 510448901 /nfs/dbraw/zinc/44/89/01/510448901.db2.gz QFLSGBGHLIRFLB-RDGPPVDQSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C1 ZINC000246362903 510448902 /nfs/dbraw/zinc/44/89/02/510448902.db2.gz QFLSGBGHLIRFLB-RDGPPVDQSA-N 1 3 352.567 2.726 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246373854 510453615 /nfs/dbraw/zinc/45/36/15/510453615.db2.gz HRWVZTQUHUSLEB-RXVVDRJESA-N 1 3 372.557 2.807 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246373854 510453620 /nfs/dbraw/zinc/45/36/20/510453620.db2.gz HRWVZTQUHUSLEB-RXVVDRJESA-N 1 3 372.557 2.807 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000175050058 510460551 /nfs/dbraw/zinc/46/05/51/510460551.db2.gz UHAZVECLSBBWAG-OAQYLSRUSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000246409626 510473634 /nfs/dbraw/zinc/47/36/34/510473634.db2.gz FDAUSLYLMGVPLW-WJMWBRGCSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000246409626 510473640 /nfs/dbraw/zinc/47/36/40/510473640.db2.gz FDAUSLYLMGVPLW-WJMWBRGCSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)CCn1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000184719296 510482624 /nfs/dbraw/zinc/48/26/24/510482624.db2.gz QVZSVOGMIZRVGC-UHFFFAOYSA-N 1 3 369.513 2.686 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000246521134 510535581 /nfs/dbraw/zinc/53/55/81/510535581.db2.gz KOQIHQXXRPJKKK-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])N2CCCC2)cc1 ZINC000263116574 510568973 /nfs/dbraw/zinc/56/89/73/510568973.db2.gz APOSKGFGKBNFEU-ZJOUEHCJSA-N 1 3 359.514 2.856 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246662171 510607104 /nfs/dbraw/zinc/60/71/04/510607104.db2.gz WLEVYAOKLILYMW-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246662171 510607108 /nfs/dbraw/zinc/60/71/08/510607108.db2.gz WLEVYAOKLILYMW-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cc2)CC1 ZINC000263220509 510618211 /nfs/dbraw/zinc/61/82/11/510618211.db2.gz LUGFVXIZHCFCKY-CTNGQTDRSA-N 1 3 358.530 2.670 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000270086758 510669524 /nfs/dbraw/zinc/66/95/24/510669524.db2.gz ACOZEMDKJGLSJW-VQTJNVASSA-N 1 3 358.530 2.663 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](CN)c1ccccc1)Cc1ccccc1 ZINC000178701365 510729051 /nfs/dbraw/zinc/72/90/51/510729051.db2.gz FMILMURVXSONSR-LEWJYISDSA-N 1 3 353.510 2.798 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270346385 510770738 /nfs/dbraw/zinc/77/07/38/510770738.db2.gz OUKNXKMIONJAMG-NHCUHLMSSA-N 1 3 372.557 2.533 20 0 FFADHO CCN1CCN(CCC[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000185316401 510803609 /nfs/dbraw/zinc/80/36/09/510803609.db2.gz UZGIMFPJNNMGMQ-QGZVFWFLSA-N 1 3 351.510 2.630 20 0 FFADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000263724474 510811168 /nfs/dbraw/zinc/81/11/68/510811168.db2.gz SKHWSNBBJWCPDC-IBGZPJMESA-N 1 3 374.573 2.532 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247307863 510856432 /nfs/dbraw/zinc/85/64/32/510856432.db2.gz GTOLGCWCXOECAC-QYZOEREBSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC000282178916 510874810 /nfs/dbraw/zinc/87/48/10/510874810.db2.gz FNKPMNBYTRDEGR-FPOVZHCZSA-N 1 3 358.574 2.655 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)N(C)C)cc1 ZINC000297287161 510887790 /nfs/dbraw/zinc/88/77/90/510887790.db2.gz GRFDYXATZKFEHQ-HKUYNNGSSA-N 1 3 374.554 2.667 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCCN1CCN(c2ccccc2)CC1 ZINC000285426506 510901402 /nfs/dbraw/zinc/90/14/02/510901402.db2.gz DYJKHKIUQAXOIT-UNMCSNQZSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000285426506 510901408 /nfs/dbraw/zinc/90/14/08/510901408.db2.gz DYJKHKIUQAXOIT-UNMCSNQZSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000285426506 510901414 /nfs/dbraw/zinc/90/14/14/510901414.db2.gz DYJKHKIUQAXOIT-UNMCSNQZSA-N 1 3 356.558 2.757 20 0 FFADHO COC(=O)C(C)(C)CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000285539494 510947622 /nfs/dbraw/zinc/94/76/22/510947622.db2.gz PSBTVTNGKPQUHV-UHFFFAOYSA-N 1 3 361.530 2.896 20 0 FFADHO O=C1CCCN1c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000294286892 511014438 /nfs/dbraw/zinc/01/44/38/511014438.db2.gz TVZGBQZWWREMFS-UHFFFAOYSA-N 1 3 350.466 2.967 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000270910082 511022640 /nfs/dbraw/zinc/02/26/40/511022640.db2.gz CFOSFKXUHPHMKO-UHFFFAOYSA-N 1 3 361.530 2.821 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)Nc3ccccc3)CC2)CC1 ZINC000270960326 511037945 /nfs/dbraw/zinc/03/79/45/511037945.db2.gz UWLZPMWNQNMKFC-UHFFFAOYSA-N 1 3 358.530 2.506 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000282601700 511042015 /nfs/dbraw/zinc/04/20/15/511042015.db2.gz HUPPSZUBFHEMGB-IRXDYDNUSA-N 1 3 371.529 2.863 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000364848663 511114069 /nfs/dbraw/zinc/11/40/69/511114069.db2.gz BQTJOAHLJVHMMG-VYDXJSESSA-N 1 3 369.431 2.814 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271241819 511135310 /nfs/dbraw/zinc/13/53/10/511135310.db2.gz AKMGGBURJDQWDK-XPNTWCBSSA-N 1 3 370.585 2.751 20 0 FFADHO CN(c1ccccc1C[N@H+](C)CCCn1ccnc1)C1CCN(C)CC1 ZINC000290430517 511140647 /nfs/dbraw/zinc/14/06/47/511140647.db2.gz LGTJAMQOKZUWFJ-UHFFFAOYSA-N 1 3 355.530 2.936 20 0 FFADHO CN(c1ccccc1C[N@@H+](C)CCCn1ccnc1)C1CCN(C)CC1 ZINC000290430517 511140653 /nfs/dbraw/zinc/14/06/53/511140653.db2.gz LGTJAMQOKZUWFJ-UHFFFAOYSA-N 1 3 355.530 2.936 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000333337440 511208684 /nfs/dbraw/zinc/20/86/84/511208684.db2.gz PEFSRPNNAZCWOE-INIZCTEOSA-N 1 3 358.486 2.508 20 0 FFADHO Cc1cc(Cl)cnc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000291476824 511213140 /nfs/dbraw/zinc/21/31/40/511213140.db2.gz LAYMHCOAANJEIF-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000333353961 511215068 /nfs/dbraw/zinc/21/50/68/511215068.db2.gz RUCMFOWBWNNOPC-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000333353961 511215070 /nfs/dbraw/zinc/21/50/70/511215070.db2.gz RUCMFOWBWNNOPC-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO O=C(NCC[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000298244167 511222045 /nfs/dbraw/zinc/22/20/45/511222045.db2.gz CSXSPKDUNMUOSR-UHFFFAOYSA-N 1 3 358.873 2.723 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H](CN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000283097141 511234358 /nfs/dbraw/zinc/23/43/58/511234358.db2.gz LOWSGCJOHCJLDV-VQTJNVASSA-N 1 3 355.526 2.957 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000283097141 511234362 /nfs/dbraw/zinc/23/43/62/511234362.db2.gz LOWSGCJOHCJLDV-VQTJNVASSA-N 1 3 355.526 2.957 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000283097141 511234368 /nfs/dbraw/zinc/23/43/68/511234368.db2.gz LOWSGCJOHCJLDV-VQTJNVASSA-N 1 3 355.526 2.957 20 0 FFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OC ZINC000279849362 511239886 /nfs/dbraw/zinc/23/98/86/511239886.db2.gz IEXNCERMICTPJK-SJORKVTESA-N 1 3 363.546 2.811 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000333433353 511242369 /nfs/dbraw/zinc/24/23/69/511242369.db2.gz UZCMJBJRXWIEMV-GHRYLNIYSA-N 1 3 370.541 2.727 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000291567655 511249181 /nfs/dbraw/zinc/24/91/81/511249181.db2.gz DJBVRLPVRNRPED-FPOVZHCZSA-N 1 3 356.514 2.561 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000291567655 511249188 /nfs/dbraw/zinc/24/91/88/511249188.db2.gz DJBVRLPVRNRPED-FPOVZHCZSA-N 1 3 356.514 2.561 20 0 FFADHO CN(C)C1(C[NH2+]C2CCN(c3ccncc3)CC2)Cc2ccccc2C1 ZINC000298366512 511259909 /nfs/dbraw/zinc/25/99/09/511259909.db2.gz KKAYQINQYYEKKY-UHFFFAOYSA-N 1 3 350.510 2.739 20 0 FFADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000333656424 511314332 /nfs/dbraw/zinc/31/43/32/511314332.db2.gz KTKBEUYPKJTOBS-RZUBCFFCSA-N 1 3 370.541 2.812 20 0 FFADHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000283466479 511377371 /nfs/dbraw/zinc/37/73/71/511377371.db2.gz ZFSLPDBBTCANNX-LJQANCHMSA-N 1 3 361.530 2.915 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)CC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000292114404 511470700 /nfs/dbraw/zinc/47/07/00/511470700.db2.gz PUAYRJJULSTBRD-FQEVSTJZSA-N 1 3 372.557 2.546 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292166388 511491091 /nfs/dbraw/zinc/49/10/91/511491091.db2.gz NWSAYEMRSMYPTQ-ZLGUVYLKSA-N 1 3 373.541 2.807 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c(C)c2)CC1 ZINC000299372819 511611709 /nfs/dbraw/zinc/61/17/09/511611709.db2.gz ZAHSILREUWCDII-KRWDZBQOSA-N 1 3 361.534 2.599 20 0 FFADHO CC(=O)NC1CCC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000284237105 511651784 /nfs/dbraw/zinc/65/17/84/511651784.db2.gz DUTQZRKAPKMCJT-UHFFFAOYSA-N 1 3 359.514 2.697 20 0 FFADHO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000363785323 511766827 /nfs/dbraw/zinc/76/68/27/511766827.db2.gz OUUKEDLPBIJEGI-HKUYNNGSSA-N 1 3 361.530 2.531 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311830531 511779440 /nfs/dbraw/zinc/77/94/40/511779440.db2.gz PAZHGHDNTJXIPT-TYPHKJRUSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311830531 511779445 /nfs/dbraw/zinc/77/94/45/511779445.db2.gz PAZHGHDNTJXIPT-TYPHKJRUSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311830531 511779450 /nfs/dbraw/zinc/77/94/50/511779450.db2.gz PAZHGHDNTJXIPT-TYPHKJRUSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000363830657 511794493 /nfs/dbraw/zinc/79/44/93/511794493.db2.gz QTOIZWHSLPANCP-OXQOHEQNSA-N 1 3 372.513 2.544 20 0 FFADHO OC[C@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000292986355 511795402 /nfs/dbraw/zinc/79/54/02/511795402.db2.gz BSNGUNNEGVXRDL-PMACEKPBSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000292986355 511795409 /nfs/dbraw/zinc/79/54/09/511795409.db2.gz BSNGUNNEGVXRDL-PMACEKPBSA-N 1 3 360.542 2.875 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000274495519 511853987 /nfs/dbraw/zinc/85/39/87/511853987.db2.gz GSFRKMOUQJYPTN-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000274495519 511853992 /nfs/dbraw/zinc/85/39/92/511853992.db2.gz GSFRKMOUQJYPTN-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000364025417 511913641 /nfs/dbraw/zinc/91/36/41/511913641.db2.gz KKCQFGCTWOOQMX-UHFFFAOYSA-N 1 3 370.497 2.790 20 0 FFADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000366250404 511922723 /nfs/dbraw/zinc/92/27/23/511922723.db2.gz JSOCZXZZSVEKLJ-UHFFFAOYSA-N 1 3 356.518 2.821 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000366250404 511922730 /nfs/dbraw/zinc/92/27/30/511922730.db2.gz JSOCZXZZSVEKLJ-UHFFFAOYSA-N 1 3 356.518 2.821 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)c2)CC1 ZINC000274779470 511940466 /nfs/dbraw/zinc/94/04/66/511940466.db2.gz FJVWQBLPRDPLCN-QGZVFWFLSA-N 1 3 371.529 2.600 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)c2)CC1 ZINC000274779470 511940469 /nfs/dbraw/zinc/94/04/69/511940469.db2.gz FJVWQBLPRDPLCN-QGZVFWFLSA-N 1 3 371.529 2.600 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281759444 511956997 /nfs/dbraw/zinc/95/69/97/511956997.db2.gz WHDKKCFFULTSRE-FQEVSTJZSA-N 1 3 370.472 2.753 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000369508337 512444380 /nfs/dbraw/zinc/44/43/80/512444380.db2.gz YZZUOOHVVHQVLR-IBGZPJMESA-N 1 3 365.562 2.650 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000369508337 512444385 /nfs/dbraw/zinc/44/43/85/512444385.db2.gz YZZUOOHVVHQVLR-IBGZPJMESA-N 1 3 365.562 2.650 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369582232 512492805 /nfs/dbraw/zinc/49/28/05/512492805.db2.gz MWCAKYLXNYEIIG-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369582232 512492808 /nfs/dbraw/zinc/49/28/08/512492808.db2.gz MWCAKYLXNYEIIG-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC[C@@H](N2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000367472871 512517373 /nfs/dbraw/zinc/51/73/73/512517373.db2.gz XUHGCMXAIPBCSY-JOCHJYFZSA-N 1 3 372.601 2.856 20 0 FFADHO CN1CCC[C@@H](N2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000367472871 512517375 /nfs/dbraw/zinc/51/73/75/512517375.db2.gz XUHGCMXAIPBCSY-JOCHJYFZSA-N 1 3 372.601 2.856 20 0 FFADHO c1[nH]nc2c1[C@@H]([NH2+]CCCCN1CCN(c3ccccc3)CC1)CCC2 ZINC000375888997 512554444 /nfs/dbraw/zinc/55/44/44/512554444.db2.gz NLVVWYJRHYYLLS-FQEVSTJZSA-N 1 3 353.514 2.979 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000373959840 512593846 /nfs/dbraw/zinc/59/38/46/512593846.db2.gz VXOYQOLVVRHOOC-NRFANRHFSA-N 1 3 358.530 2.540 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000367654886 512601684 /nfs/dbraw/zinc/60/16/84/512601684.db2.gz WXDNJFINNOHMCS-SJLPKXTDSA-N 1 3 369.431 2.595 20 0 FFADHO NC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000371870883 512612402 /nfs/dbraw/zinc/61/24/02/512612402.db2.gz UZSBRMXJERSCHX-LEWJYISDSA-N 1 3 351.494 2.585 20 0 FFADHO CCO[C@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000411553368 512685753 /nfs/dbraw/zinc/68/57/53/512685753.db2.gz RMGJZBMRXVGXLC-ROUUACIJSA-N 1 3 353.551 2.549 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374199546 512704376 /nfs/dbraw/zinc/70/43/76/512704376.db2.gz PLAIRIKYVNVLPY-NRFANRHFSA-N 1 3 358.530 2.634 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374199546 512704379 /nfs/dbraw/zinc/70/43/79/512704379.db2.gz PLAIRIKYVNVLPY-NRFANRHFSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CC[C@H]2OCCN(Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000411765617 512800429 /nfs/dbraw/zinc/80/04/29/512800429.db2.gz FBUKYNPLCMFQSF-FCHUYYIVSA-N 1 3 357.542 2.968 20 0 FFADHO CSc1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000372329979 512818899 /nfs/dbraw/zinc/81/88/99/512818899.db2.gz FBXUHUKGQKBLPN-PXNSSMCTSA-N 1 3 363.571 2.745 20 0 FFADHO CSc1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000372329979 512818905 /nfs/dbraw/zinc/81/89/05/512818905.db2.gz FBXUHUKGQKBLPN-PXNSSMCTSA-N 1 3 363.571 2.745 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)cc2)CC1 ZINC000376561774 512874914 /nfs/dbraw/zinc/87/49/14/512874914.db2.gz JJOQXELEHRZYGQ-NQIIRXRSSA-N 1 3 370.541 2.527 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN3CCC2CC3)[C@H]1c1cccs1 ZINC000376659493 512924611 /nfs/dbraw/zinc/92/46/11/512924611.db2.gz LONRDWJNBKQWMB-YJBOKZPZSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN3CCC2CC3)[C@H]1c1cccs1 ZINC000376659493 512924616 /nfs/dbraw/zinc/92/46/16/512924616.db2.gz LONRDWJNBKQWMB-YJBOKZPZSA-N 1 3 362.543 2.621 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368390249 512925102 /nfs/dbraw/zinc/92/51/02/512925102.db2.gz OTPXPZMMNMJKFT-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368390249 512925106 /nfs/dbraw/zinc/92/51/06/512925106.db2.gz OTPXPZMMNMJKFT-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412056435 512934468 /nfs/dbraw/zinc/93/44/68/512934468.db2.gz STFJGPQRRNGXMS-JFIYKMOQSA-N 1 3 353.576 2.583 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000368520589 512985636 /nfs/dbraw/zinc/98/56/36/512985636.db2.gz WWKXWVFZVCZOBT-FCHUYYIVSA-N 1 3 359.558 2.991 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000368520589 512985641 /nfs/dbraw/zinc/98/56/41/512985641.db2.gz WWKXWVFZVCZOBT-FCHUYYIVSA-N 1 3 359.558 2.991 20 0 FFADHO C[NH+](C)[C@]1(CNC(=O)c2cccc(CN3CCCCC3)c2)CCSC1 ZINC000412176745 512987217 /nfs/dbraw/zinc/98/72/17/512987217.db2.gz YUILZOJIBWVIES-FQEVSTJZSA-N 1 3 361.555 2.840 20 0 FFADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412275019 513020754 /nfs/dbraw/zinc/02/07/54/513020754.db2.gz WJKLVQLKLLXRIC-SFHVURJKSA-N 1 3 373.541 2.590 20 0 FFADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412275019 513020759 /nfs/dbraw/zinc/02/07/59/513020759.db2.gz WJKLVQLKLLXRIC-SFHVURJKSA-N 1 3 373.541 2.590 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000376982966 513077140 /nfs/dbraw/zinc/07/71/40/513077140.db2.gz OZNFFDNKLGOAON-SZPZYZBQSA-N 1 3 363.505 2.952 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000376982966 513077145 /nfs/dbraw/zinc/07/71/45/513077145.db2.gz OZNFFDNKLGOAON-SZPZYZBQSA-N 1 3 363.505 2.952 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000368748939 513086935 /nfs/dbraw/zinc/08/69/35/513086935.db2.gz SFDIUJSMGAJOPL-UHFFFAOYSA-N 1 3 372.557 2.677 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000377034908 513096177 /nfs/dbraw/zinc/09/61/77/513096177.db2.gz QGCSTDVSIYAGEE-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000377034908 513096180 /nfs/dbraw/zinc/09/61/80/513096180.db2.gz QGCSTDVSIYAGEE-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1ccc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000415199211 513148634 /nfs/dbraw/zinc/14/86/34/513148634.db2.gz DCVDXBHUTMOELA-MRXNPFEDSA-N 1 3 350.507 2.773 20 0 FFADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417690998 513164306 /nfs/dbraw/zinc/16/43/06/513164306.db2.gz WEIAKGLDSSEAHI-AYOQOUSVSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417692164 513164974 /nfs/dbraw/zinc/16/49/74/513164974.db2.gz NYRLOTVCEHZGOV-FUHIMQAGSA-N 1 3 358.530 2.981 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000450395313 513174767 /nfs/dbraw/zinc/17/47/67/513174767.db2.gz RJICZTHNLLNGOE-QHCPKHFHSA-N 1 3 372.601 2.999 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000450395313 513174772 /nfs/dbraw/zinc/17/47/72/513174772.db2.gz RJICZTHNLLNGOE-QHCPKHFHSA-N 1 3 372.601 2.999 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446263083 513221687 /nfs/dbraw/zinc/22/16/87/513221687.db2.gz SWCYVJWIBFLVNU-NNMXDRDESA-N 1 3 373.541 2.677 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417828512 513224405 /nfs/dbraw/zinc/22/44/05/513224405.db2.gz QGRKERGXYZSHLB-MISYRCLQSA-N 1 3 360.546 2.912 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000417831703 513225995 /nfs/dbraw/zinc/22/59/95/513225995.db2.gz KNUPFSDUZLRHHE-HXUWFJFHSA-N 1 3 364.493 2.982 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000417850952 513237534 /nfs/dbraw/zinc/23/75/34/513237534.db2.gz YDCUZOOHROPCGA-VBSBHUPXSA-N 1 3 358.530 2.856 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000429135460 513288066 /nfs/dbraw/zinc/28/80/66/513288066.db2.gz NQNFVYIYPOXAPT-LJQANCHMSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982546 513317411 /nfs/dbraw/zinc/31/74/11/513317411.db2.gz AJECDORJDYEYFT-IOMROCGXSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982546 513317418 /nfs/dbraw/zinc/31/74/18/513317418.db2.gz AJECDORJDYEYFT-IOMROCGXSA-N 1 3 366.509 2.896 20 0 FFADHO CO[C@H](Cc1ccccc1)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000450743912 513322306 /nfs/dbraw/zinc/32/23/06/513322306.db2.gz JVGICDODDJNLFT-OAQYLSRUSA-N 1 3 359.558 2.594 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000418007262 513331246 /nfs/dbraw/zinc/33/12/46/513331246.db2.gz FYEDPYBPQLQZMC-YLJYHZDGSA-N 1 3 358.530 2.538 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC2(CC2)CC1 ZINC000434461319 513331302 /nfs/dbraw/zinc/33/13/02/513331302.db2.gz WHDUWTAUZCIMSY-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC2(CC2)CC1 ZINC000434461319 513331309 /nfs/dbraw/zinc/33/13/09/513331309.db2.gz WHDUWTAUZCIMSY-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418028926 513342025 /nfs/dbraw/zinc/34/20/25/513342025.db2.gz HZZMZCVUTUPHBC-FPOVZHCZSA-N 1 3 358.530 2.538 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000418032534 513344087 /nfs/dbraw/zinc/34/40/87/513344087.db2.gz MBTLHIJNYDOPET-HNNXBMFYSA-N 1 3 372.435 2.702 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418040697 513350045 /nfs/dbraw/zinc/35/00/45/513350045.db2.gz JKYZGFYTTPDDLU-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418044037 513351508 /nfs/dbraw/zinc/35/15/08/513351508.db2.gz ZPGSFOHUQQIJMW-RLLQIKCJSA-N 1 3 360.546 2.912 20 0 FFADHO C[C@]1(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418048527 513352026 /nfs/dbraw/zinc/35/20/26/513352026.db2.gz VZXATEMZDQCPRC-GHTZIAJQSA-N 1 3 358.530 2.730 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425005727 513365745 /nfs/dbraw/zinc/36/57/45/513365745.db2.gz LPHMSPNPCRWHCC-LEWJYISDSA-N 1 3 355.526 2.840 20 0 FFADHO N[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000418113098 513375959 /nfs/dbraw/zinc/37/59/59/513375959.db2.gz ZOOCNZFQIDBUOZ-ICSRJNTNSA-N 1 3 352.482 2.508 20 0 FFADHO N[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000418113098 513375965 /nfs/dbraw/zinc/37/59/65/513375965.db2.gz ZOOCNZFQIDBUOZ-ICSRJNTNSA-N 1 3 352.482 2.508 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000418141345 513387706 /nfs/dbraw/zinc/38/77/06/513387706.db2.gz KWGIYAVFKJIPHV-JKWVGCSGSA-N 1 3 370.541 2.821 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000418146959 513390947 /nfs/dbraw/zinc/39/09/47/513390947.db2.gz PTTWFULWKAQIAV-XUVXKRRUSA-N 1 3 358.530 2.714 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418151969 513393332 /nfs/dbraw/zinc/39/33/32/513393332.db2.gz GIVVRROBFJNWHD-HOTGVXAUSA-N 1 3 368.472 2.569 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418160497 513398416 /nfs/dbraw/zinc/39/84/16/513398416.db2.gz RYSPFABICUYMAV-HSALFYBXSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccco1 ZINC000418170632 513404173 /nfs/dbraw/zinc/40/41/73/513404173.db2.gz SKMJHIFKECUJDB-SZMVWBNQSA-N 1 3 362.518 2.882 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccco1 ZINC000418172958 513405300 /nfs/dbraw/zinc/40/53/00/513405300.db2.gz XSIOMTQSOCLCLN-LULLPPNCSA-N 1 3 370.497 2.845 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418179340 513408058 /nfs/dbraw/zinc/40/80/58/513408058.db2.gz AJEIYZKRJFAZQN-GOSISDBHSA-N 1 3 364.534 2.893 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000418187118 513411620 /nfs/dbraw/zinc/41/16/20/513411620.db2.gz CXDSTSIADCYSJP-QRTFOUQQSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000418188361 513412858 /nfs/dbraw/zinc/41/28/58/513412858.db2.gz UEJISJQLUSYCJZ-GHTZIAJQSA-N 1 3 368.525 2.891 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000418189060 513413178 /nfs/dbraw/zinc/41/31/78/513413178.db2.gz HFLDGKUDPOWBKD-HKBOAZHASA-N 1 3 372.557 2.881 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418189818 513413713 /nfs/dbraw/zinc/41/37/13/513413713.db2.gz VTTGSNNEDHAOMM-IAGOWNOFSA-N 1 3 352.910 2.774 20 0 FFADHO CSC1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN(C)CC1 ZINC000418201034 513419612 /nfs/dbraw/zinc/41/96/12/513419612.db2.gz RDWMOZBWEUEXDR-KRWDZBQOSA-N 1 3 364.559 2.593 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)N(C)C)cc1 ZINC000418239611 513436657 /nfs/dbraw/zinc/43/66/57/513436657.db2.gz YQUASHXBISDBIN-GOSISDBHSA-N 1 3 362.543 2.620 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000418251535 513442270 /nfs/dbraw/zinc/44/22/70/513442270.db2.gz WWYQURSLLLOYCU-SFHVURJKSA-N 1 3 358.530 2.730 20 0 FFADHO C[C@@H](NC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418308218 513457209 /nfs/dbraw/zinc/45/72/09/513457209.db2.gz FSGSCAAATAZZPF-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH2+]CCNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418314095 513458890 /nfs/dbraw/zinc/45/88/90/513458890.db2.gz DINLQOGQUUCIAF-LJQANCHMSA-N 1 3 358.530 2.538 20 0 FFADHO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000447390306 513464798 /nfs/dbraw/zinc/46/47/98/513464798.db2.gz FZJMVERLUORWBC-FPOVZHCZSA-N 1 3 361.530 2.687 20 0 FFADHO CCC[C@@]1(COC)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000447390306 513464804 /nfs/dbraw/zinc/46/48/04/513464804.db2.gz FZJMVERLUORWBC-FPOVZHCZSA-N 1 3 361.530 2.687 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccccn2)c1 ZINC000415900490 513469082 /nfs/dbraw/zinc/46/90/82/513469082.db2.gz AOGRSXBVZCHZRV-UHFFFAOYSA-N 1 3 355.486 2.787 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418339354 513470092 /nfs/dbraw/zinc/47/00/92/513470092.db2.gz MDPOMAFFSOTAKF-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418337819 513470162 /nfs/dbraw/zinc/47/01/62/513470162.db2.gz BXYWZZCQOBAECW-YOEHRIQHSA-N 1 3 352.910 2.632 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418356199 513480204 /nfs/dbraw/zinc/48/02/04/513480204.db2.gz XWQZKWBKNWDMOC-MOPGFXCFSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1cnn(CCCCCN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000441084898 513480281 /nfs/dbraw/zinc/48/02/81/513480281.db2.gz AWFPLDPHRJKXHN-UHFFFAOYSA-N 1 3 361.578 2.852 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418397248 513494109 /nfs/dbraw/zinc/49/41/09/513494109.db2.gz BZSBJHIGDJARIN-YZGWKJHDSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418412521 513498442 /nfs/dbraw/zinc/49/84/42/513498442.db2.gz QBACETSFYBGGID-RLLQIKCJSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000447586446 513515806 /nfs/dbraw/zinc/51/58/06/513515806.db2.gz NXIDNEKLLWMTFW-HYMUMSMOSA-N 1 3 353.510 2.781 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000415994913 513526888 /nfs/dbraw/zinc/52/68/88/513526888.db2.gz JGVZEYBRJUUVQZ-DNVCBOLYSA-N 1 3 360.502 2.548 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000415994913 513526895 /nfs/dbraw/zinc/52/68/95/513526895.db2.gz JGVZEYBRJUUVQZ-DNVCBOLYSA-N 1 3 360.502 2.548 20 0 FFADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418497146 513532888 /nfs/dbraw/zinc/53/28/88/513532888.db2.gz GZGHFTQDAGRGPU-RTBURBONSA-N 1 3 354.498 2.917 20 0 FFADHO CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000416013792 513538883 /nfs/dbraw/zinc/53/88/83/513538883.db2.gz URJRHHUGCPRZCN-HOTGVXAUSA-N 1 3 372.435 2.572 20 0 FFADHO COc1cc(-c2ccccc2)ccc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000435369318 513567524 /nfs/dbraw/zinc/56/75/24/513567524.db2.gz DMBPJNWQBACGFU-FQEVSTJZSA-N 1 3 367.493 2.649 20 0 FFADHO C[NH2+]CC1CCN(Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000435390204 513573397 /nfs/dbraw/zinc/57/33/97/513573397.db2.gz OKMCLSLHLCTWED-UHFFFAOYSA-N 1 3 356.514 2.988 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000418606676 513575382 /nfs/dbraw/zinc/57/53/82/513575382.db2.gz VUQGDAPRTYJRQY-SFHVURJKSA-N 1 3 356.514 2.602 20 0 FFADHO CC[N@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@H]1CCCNCC1 ZINC000435626748 513642232 /nfs/dbraw/zinc/64/22/32/513642232.db2.gz PGOWYZWFDFMDJK-IBGZPJMESA-N 1 3 356.518 2.974 20 0 FFADHO CC[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@H]1CCCNCC1 ZINC000435626748 513642241 /nfs/dbraw/zinc/64/22/41/513642241.db2.gz PGOWYZWFDFMDJK-IBGZPJMESA-N 1 3 356.518 2.974 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418767550 513648852 /nfs/dbraw/zinc/64/88/52/513648852.db2.gz NZCJDUJNWJIOID-UHFFFAOYSA-N 1 3 362.562 2.657 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@H]1c1ccccc1 ZINC000447993710 513650858 /nfs/dbraw/zinc/65/08/58/513650858.db2.gz ZYCJSHKQDPLOLM-GBESFXJTSA-N 1 3 358.530 2.851 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@H]1c1ccccc1 ZINC000447993710 513650863 /nfs/dbraw/zinc/65/08/63/513650863.db2.gz ZYCJSHKQDPLOLM-GBESFXJTSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000418794039 513660107 /nfs/dbraw/zinc/66/01/07/513660107.db2.gz QQZZSJZBSVNIGT-GSEOLPGOSA-N 1 3 358.530 2.808 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425654920 513681279 /nfs/dbraw/zinc/68/12/79/513681279.db2.gz PJKXKOKGAUBBRA-DOIPELPJSA-N 1 3 368.525 2.529 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425654920 513681286 /nfs/dbraw/zinc/68/12/86/513681286.db2.gz PJKXKOKGAUBBRA-DOIPELPJSA-N 1 3 368.525 2.529 20 0 FFADHO CN(CCC(=O)Nc1ccc(Br)cc1F)CC(C)(C)C[NH3+] ZINC000430575477 513693006 /nfs/dbraw/zinc/69/30/06/513693006.db2.gz UWVYJFYTSREMHD-UHFFFAOYSA-N 1 3 360.271 2.834 20 0 FFADHO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(C)(C)CN ZINC000430575477 513693015 /nfs/dbraw/zinc/69/30/15/513693015.db2.gz UWVYJFYTSREMHD-UHFFFAOYSA-N 1 3 360.271 2.834 20 0 FFADHO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(C)(C)CN ZINC000430575477 513693021 /nfs/dbraw/zinc/69/30/21/513693021.db2.gz UWVYJFYTSREMHD-UHFFFAOYSA-N 1 3 360.271 2.834 20 0 FFADHO [NH3+]CCCOC1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430596557 513700644 /nfs/dbraw/zinc/70/06/44/513700644.db2.gz JMBVLSCYTZRNCT-UHFFFAOYSA-N 1 3 362.392 2.794 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448208328 513707515 /nfs/dbraw/zinc/70/75/15/513707515.db2.gz GYKGBOVMIKTYDQ-DMUMMCEESA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448208328 513707523 /nfs/dbraw/zinc/70/75/23/513707523.db2.gz GYKGBOVMIKTYDQ-DMUMMCEESA-N 1 3 362.562 2.908 20 0 FFADHO CN(CCC(=O)Nc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000430671653 513718014 /nfs/dbraw/zinc/71/80/14/513718014.db2.gz XRSPLBXXVHARED-UHFFFAOYSA-N 1 3 358.255 2.601 20 0 FFADHO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CCNCC1 ZINC000430671653 513718018 /nfs/dbraw/zinc/71/80/18/513718018.db2.gz XRSPLBXXVHARED-UHFFFAOYSA-N 1 3 358.255 2.601 20 0 FFADHO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CCNCC1 ZINC000430671653 513718024 /nfs/dbraw/zinc/71/80/24/513718024.db2.gz XRSPLBXXVHARED-UHFFFAOYSA-N 1 3 358.255 2.601 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442609283 513745029 /nfs/dbraw/zinc/74/50/29/513745029.db2.gz LERWJGFYJIURHS-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]1CN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430937546 513786813 /nfs/dbraw/zinc/78/68/13/513786813.db2.gz CPSMGZSWQQKTGT-FXAWDEMLSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CN(C)C ZINC000425945266 513803075 /nfs/dbraw/zinc/80/30/75/513803075.db2.gz QCUDJULMKQFVCF-OLZOCXBDSA-N 1 3 356.308 2.954 20 0 FFADHO C[C@H](CN[C@@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+](C)C ZINC000425945266 513803082 /nfs/dbraw/zinc/80/30/82/513803082.db2.gz QCUDJULMKQFVCF-OLZOCXBDSA-N 1 3 356.308 2.954 20 0 FFADHO Cc1cc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)ccc1OCCN1CCCC1 ZINC000436307197 513821884 /nfs/dbraw/zinc/82/18/84/513821884.db2.gz QKNVOBXVSXTPGZ-DYESRHJHSA-N 1 3 357.498 2.798 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCN1Cc1ccccc1 ZINC000422607283 513869553 /nfs/dbraw/zinc/86/95/53/513869553.db2.gz TZMBRJJLJDEEGG-PKOBYXMFSA-N 1 3 356.514 2.577 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC(C)(C)CC[NH3+])N(C)C)cc1 ZINC000422621986 513877055 /nfs/dbraw/zinc/87/70/55/513877055.db2.gz RNFHZFQSSYVQJN-QGZVFWFLSA-N 1 3 350.507 2.503 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422719254 513911756 /nfs/dbraw/zinc/91/17/56/513911756.db2.gz YAGMGPQYLNOJKQ-GUDVDZBRSA-N 1 3 350.528 2.502 20 0 FFADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CC1(C)C ZINC000416701124 513915511 /nfs/dbraw/zinc/91/55/11/513915511.db2.gz YOFXDFHPGQHYOK-MSOLQXFVSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2cccc(Br)c2)CC1 ZINC000422747057 513921053 /nfs/dbraw/zinc/92/10/53/513921053.db2.gz OZGKAQSBAZWUKK-VBNZEHGJSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422747057 513921058 /nfs/dbraw/zinc/92/10/58/513921058.db2.gz OZGKAQSBAZWUKK-VBNZEHGJSA-N 1 3 353.304 2.823 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cc(Cl)ccc2OC)CC[NH2+]CC1 ZINC000422752162 513921828 /nfs/dbraw/zinc/92/18/28/513921828.db2.gz APMPMMQRDJZEEZ-ZDUSSCGKSA-N 1 3 354.878 2.760 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422750814 513922391 /nfs/dbraw/zinc/92/23/91/513922391.db2.gz BTBASFAQIQSZMM-VFNWGFHPSA-N 1 3 372.488 2.712 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2c(F)cccc2OC)CC[NH2+]CC1 ZINC000422795968 513935102 /nfs/dbraw/zinc/93/51/02/513935102.db2.gz XCEHNSJQCHIWLI-ZIAGYGMSSA-N 1 3 352.450 2.806 20 0 FFADHO Fc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422804265 513936636 /nfs/dbraw/zinc/93/66/36/513936636.db2.gz FATAZWRBMDJNAW-YPAWHYETSA-N 1 3 374.548 2.848 20 0 FFADHO CC(C)C[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422805936 513938630 /nfs/dbraw/zinc/93/86/30/513938630.db2.gz MTQBJFLDCAWPKY-UZKOGDIHSA-N 1 3 373.541 2.579 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000431647506 513956580 /nfs/dbraw/zinc/95/65/80/513956580.db2.gz DFWBFSMQUDIZKH-GOSISDBHSA-N 1 3 352.567 2.918 20 0 FFADHO c1ccc(-c2ccc(NCCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nn2)cc1 ZINC000422863571 513956878 /nfs/dbraw/zinc/95/68/78/513956878.db2.gz RZZYIKQKWDMOIR-HMXCVIKNSA-N 1 3 365.525 3.456 20 0 FFADHO CCN1CCN(c2ccc(CN[C@@H](C)C[C@@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000422875159 513959799 /nfs/dbraw/zinc/95/97/99/513959799.db2.gz CCHZEHBOOILLAU-ICSRJNTNSA-N 1 3 359.562 2.624 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422880271 513963439 /nfs/dbraw/zinc/96/34/39/513963439.db2.gz NUWQJPTYFNTFCQ-HOCLYGCPSA-N 1 3 368.319 2.676 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000416794030 513969804 /nfs/dbraw/zinc/96/98/04/513969804.db2.gz OOFYWLLGIDFWCX-IYARVYRRSA-N 1 3 358.530 2.715 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000422908657 513973020 /nfs/dbraw/zinc/97/30/20/513973020.db2.gz YXVVWRQHKIFDKZ-NDXORKPFSA-N 1 3 367.493 2.852 20 0 FFADHO CCOc1ccc([C@@H](C)NC(=O)CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422929423 513979507 /nfs/dbraw/zinc/97/95/07/513979507.db2.gz PYEWIKLPNZGPRW-YJJAZYOBSA-N 1 3 359.514 2.915 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)cn1 ZINC000414123503 513981123 /nfs/dbraw/zinc/98/11/23/513981123.db2.gz OPKUGDDWIWZJPS-KRWDZBQOSA-N 1 3 369.509 2.768 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422936316 513981431 /nfs/dbraw/zinc/98/14/31/513981431.db2.gz BIBBFDCNJDGIBI-YTQUADARSA-N 1 3 351.922 2.820 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000416830638 513988659 /nfs/dbraw/zinc/98/86/59/513988659.db2.gz AIBYGCKLOZWTOA-KRWDZBQOSA-N 1 3 364.559 2.916 20 0 FFADHO c1ccc(N2CC[C@H](N[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)nc1 ZINC000422964836 513994034 /nfs/dbraw/zinc/99/40/34/513994034.db2.gz JWDRWZHFEUWQNR-YRISNDGFSA-N 1 3 350.466 2.506 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1OC ZINC000422984934 513998279 /nfs/dbraw/zinc/99/82/79/513998279.db2.gz BPVLUTZBGWZNHU-MKXGPGLRSA-N 1 3 361.530 2.817 20 0 FFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1OC ZINC000414179914 514000004 /nfs/dbraw/zinc/00/00/04/514000004.db2.gz AYVQSOZNPLAUFB-LJQANCHMSA-N 1 3 361.530 2.533 20 0 FFADHO CCC[C@H]1CNCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000416848490 514000521 /nfs/dbraw/zinc/00/05/21/514000521.db2.gz WVDXQUKAZUBWJC-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000416849890 514000959 /nfs/dbraw/zinc/00/09/59/514000959.db2.gz YPTNHSRTQFTCEL-CTNGQTDRSA-N 1 3 358.530 2.637 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414185610 514002034 /nfs/dbraw/zinc/00/20/34/514002034.db2.gz GUEGUJPTXSPBAM-VXKWHMMOSA-N 1 3 371.569 2.784 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1nccc2ccccc21 ZINC000414201644 514009662 /nfs/dbraw/zinc/00/96/62/514009662.db2.gz STXGWCJSNVLROX-SFHVURJKSA-N 1 3 368.525 2.682 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](COC)c2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000423017812 514009924 /nfs/dbraw/zinc/00/99/24/514009924.db2.gz PPODRGUXTCLDKN-DYVFJYSZSA-N 1 3 370.440 2.563 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2ccccc2n1 ZINC000414203297 514011044 /nfs/dbraw/zinc/01/10/44/514011044.db2.gz VAVRWPIGOUTBFW-GOSISDBHSA-N 1 3 368.525 2.682 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)(N2CCOCC2)CC1 ZINC000414203338 514011169 /nfs/dbraw/zinc/01/11/69/514011169.db2.gz VDGMCLKZLCMSQM-LJQANCHMSA-N 1 3 363.933 2.714 20 0 FFADHO CC(C)C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccn1 ZINC000414206283 514011285 /nfs/dbraw/zinc/01/12/85/514011285.db2.gz YDBNJWJCHKAZRV-HXUWFJFHSA-N 1 3 360.546 2.555 20 0 FFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040441 514015888 /nfs/dbraw/zinc/01/58/88/514015888.db2.gz HBMHIOPRYHGZKJ-JECZMYCTSA-N 1 3 367.896 2.805 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423041512 514016982 /nfs/dbraw/zinc/01/69/82/514016982.db2.gz JFYUASJQOCCNST-GWIFVGGISA-N 1 3 358.313 2.914 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC000416878807 514019623 /nfs/dbraw/zinc/01/96/23/514019623.db2.gz FBKUBAOVSOCIPS-VQTJNVASSA-N 1 3 358.530 2.812 20 0 FFADHO CN(Cc1ccccc1)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423063942 514025120 /nfs/dbraw/zinc/02/51/20/514025120.db2.gz QBZIHGGNWUIRRN-FNAHDJPLSA-N 1 3 357.542 2.644 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423073572 514029422 /nfs/dbraw/zinc/02/94/22/514029422.db2.gz JEDSGJZIUWFGST-BXUZGUMPSA-N 1 3 367.415 2.768 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(OC)c1 ZINC000416905609 514036927 /nfs/dbraw/zinc/03/69/27/514036927.db2.gz GKCDHBMVICEWCQ-KVSKMBFKSA-N 1 3 362.518 2.518 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(F)cc2)[C@@H](C)C1 ZINC000414295094 514037099 /nfs/dbraw/zinc/03/70/99/514037099.db2.gz QQVJWUMFUKINIQ-HQRMLTQVSA-N 1 3 352.494 2.628 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(F)cc2)[C@@H](C)C1 ZINC000414295094 514037104 /nfs/dbraw/zinc/03/71/04/514037104.db2.gz QQVJWUMFUKINIQ-HQRMLTQVSA-N 1 3 352.494 2.628 20 0 FFADHO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426770000 514038043 /nfs/dbraw/zinc/03/80/43/514038043.db2.gz NWEHTXOETSAZNV-IPMKNSEASA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H](CCc1ccc(I)cc1)[NH2+]C1CCNCC1 ZINC000423095187 514039342 /nfs/dbraw/zinc/03/93/42/514039342.db2.gz LNLPFRUMNUNSCH-LBPRGKRZSA-N 1 3 358.267 2.954 20 0 FFADHO C[C@@H](CCc1ccc(I)cc1)NC1CC[NH2+]CC1 ZINC000423095187 514039349 /nfs/dbraw/zinc/03/93/49/514039349.db2.gz LNLPFRUMNUNSCH-LBPRGKRZSA-N 1 3 358.267 2.954 20 0 FFADHO CN(C)C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)Cc2ccccc2C1 ZINC000426776057 514039394 /nfs/dbraw/zinc/03/93/94/514039394.db2.gz FEXOUNWFZFDTSL-UHFFFAOYSA-N 1 3 357.542 2.714 20 0 FFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(I)cc1 ZINC000423106788 514044568 /nfs/dbraw/zinc/04/45/68/514044568.db2.gz DGMFSLRDYNCSEC-SWLSCSKDSA-N 1 3 374.266 2.648 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423112575 514047355 /nfs/dbraw/zinc/04/73/55/514047355.db2.gz SAHVYGHUHALAPU-GBESFXJTSA-N 1 3 355.482 2.573 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423112575 514047358 /nfs/dbraw/zinc/04/73/58/514047358.db2.gz SAHVYGHUHALAPU-GBESFXJTSA-N 1 3 355.482 2.573 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2nccn2-c2ccccc2)CC[NH2+]CC1 ZINC000423128260 514053501 /nfs/dbraw/zinc/05/35/01/514053501.db2.gz PZQDAPQPNVAPLQ-SJORKVTESA-N 1 3 370.497 2.844 20 0 FFADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416955474 514065642 /nfs/dbraw/zinc/06/56/42/514065642.db2.gz JLMLJTMMQOUDGG-HOTGVXAUSA-N 1 3 354.498 2.950 20 0 FFADHO C[C@H](C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)CN1CCCCC1 ZINC000449085973 514067170 /nfs/dbraw/zinc/06/71/70/514067170.db2.gz ARRQPAJBTGJPCO-SJORKVTESA-N 1 3 352.544 2.905 20 0 FFADHO C[C@H](CNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000449085973 514067177 /nfs/dbraw/zinc/06/71/77/514067177.db2.gz ARRQPAJBTGJPCO-SJORKVTESA-N 1 3 352.544 2.905 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170871 514067529 /nfs/dbraw/zinc/06/75/29/514067529.db2.gz MZMVZNVJAGUJPH-KBRIMQKVSA-N 1 3 373.310 2.989 20 0 FFADHO CN(CCC(=O)NC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000420275544 514068656 /nfs/dbraw/zinc/06/86/56/514068656.db2.gz QOUXAEMFRXXQOJ-UHFFFAOYSA-N 1 3 351.494 2.966 20 0 FFADHO C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1CCNCC1 ZINC000420275544 514068666 /nfs/dbraw/zinc/06/86/66/514068666.db2.gz QOUXAEMFRXXQOJ-UHFFFAOYSA-N 1 3 351.494 2.966 20 0 FFADHO C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1CCNCC1 ZINC000420275544 514068673 /nfs/dbraw/zinc/06/86/73/514068673.db2.gz QOUXAEMFRXXQOJ-UHFFFAOYSA-N 1 3 351.494 2.966 20 0 FFADHO COc1ccc([C@H](CO)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423173478 514069756 /nfs/dbraw/zinc/06/97/56/514069756.db2.gz YXKYJPXYBNMKFZ-RBDMOPTHSA-N 1 3 368.477 2.617 20 0 FFADHO COc1ccc([C@H](CO)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423173481 514069976 /nfs/dbraw/zinc/06/99/76/514069976.db2.gz YXKYJPXYBNMKFZ-XJABCFGWSA-N 1 3 368.477 2.617 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN[C@@H](C)[C@@H]3C)cc2)C1 ZINC000416969519 514075604 /nfs/dbraw/zinc/07/56/04/514075604.db2.gz KRSPWRHYFUTVBN-SQNIBIBYSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN[C@@H](C)[C@@H]3C)cc2)C1 ZINC000416969519 514075607 /nfs/dbraw/zinc/07/56/07/514075607.db2.gz KRSPWRHYFUTVBN-SQNIBIBYSA-N 1 3 358.530 2.810 20 0 FFADHO Clc1ccc(OCCN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420301489 514080308 /nfs/dbraw/zinc/08/03/08/514080308.db2.gz LHILTCXUNBEHBA-KRWDZBQOSA-N 1 3 351.922 2.726 20 0 FFADHO Fc1ccc([C@H](NCCN2CC[NH2+]CC2)c2cnc3ccccc3c2)cc1 ZINC000423212042 514080553 /nfs/dbraw/zinc/08/05/53/514080553.db2.gz ZMMJJNSLVZTABE-QFIPXVFZSA-N 1 3 364.468 2.958 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000416975200 514081279 /nfs/dbraw/zinc/08/12/79/514081279.db2.gz MNSRMRQBHUHIST-IBGZPJMESA-N 1 3 358.530 2.791 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCc2cccc(OCCN(C)C)c2)cc1 ZINC000416976260 514082730 /nfs/dbraw/zinc/08/27/30/514082730.db2.gz QHXOFHTYEWIUFP-INIZCTEOSA-N 1 3 370.497 2.646 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416982318 514089576 /nfs/dbraw/zinc/08/95/76/514089576.db2.gz WCWNBCFCHCZSJC-XLIONFOSSA-N 1 3 358.530 2.605 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000416981741 514089752 /nfs/dbraw/zinc/08/97/52/514089752.db2.gz VNDYNGYLPSNMNW-IEBWSBKVSA-N 1 3 358.530 2.728 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@@H]21 ZINC000420316466 514091115 /nfs/dbraw/zinc/09/11/15/514091115.db2.gz YFFAABGLQHEMAL-KVPRVUCYSA-N 1 3 351.853 2.644 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000416985106 514092874 /nfs/dbraw/zinc/09/28/74/514092874.db2.gz YMZBFRYYNRRHRI-ROUUACIJSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000416985521 514094016 /nfs/dbraw/zinc/09/40/16/514094016.db2.gz YNWFZJAKYFARRC-UHFFFAOYSA-N 1 3 372.557 2.725 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000420329994 514096087 /nfs/dbraw/zinc/09/60/87/514096087.db2.gz KSCAGTWGZYPLTI-WBVHZDCISA-N 1 3 358.404 2.912 20 0 FFADHO Cn1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449159468 514097523 /nfs/dbraw/zinc/09/75/23/514097523.db2.gz GNXPMLJLNYLBKE-INIZCTEOSA-N 1 3 372.488 2.817 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCC1(c2ccccc2)CCCC1 ZINC000420333383 514098588 /nfs/dbraw/zinc/09/85/88/514098588.db2.gz KKKGOOYKTLTFBW-KDURUIRLSA-N 1 3 355.526 2.546 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000417002236 514108940 /nfs/dbraw/zinc/10/89/40/514108940.db2.gz FYAQIHZWLPOOLX-DZOHQFGASA-N 1 3 364.559 2.818 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000449213332 514116959 /nfs/dbraw/zinc/11/69/59/514116959.db2.gz JZLSKMHHFYIQFZ-INIZCTEOSA-N 1 3 373.607 2.537 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000449213332 514116968 /nfs/dbraw/zinc/11/69/68/514116968.db2.gz JZLSKMHHFYIQFZ-INIZCTEOSA-N 1 3 373.607 2.537 20 0 FFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000423371677 514119566 /nfs/dbraw/zinc/11/95/66/514119566.db2.gz APTGDKYQZGATQG-FZMZJTMJSA-N 1 3 367.362 2.775 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000444129668 514130917 /nfs/dbraw/zinc/13/09/17/514130917.db2.gz RZWQKGISAVZNQC-BZSNNMDCSA-N 1 3 353.551 2.597 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000417032337 514132043 /nfs/dbraw/zinc/13/20/43/514132043.db2.gz FCBJYJHOGIXXAH-OPYAIIAOSA-N 1 3 372.557 2.931 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449251111 514132095 /nfs/dbraw/zinc/13/20/95/514132095.db2.gz QUKSQTXPMFGGBO-RTWAWAEBSA-N 1 3 372.601 2.698 20 0 FFADHO COC[C@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CCCN1 ZINC000423408368 514132629 /nfs/dbraw/zinc/13/26/29/514132629.db2.gz AEZZEMYOILMENB-MLGOLLRUSA-N 1 3 359.283 2.877 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444166698 514140674 /nfs/dbraw/zinc/14/06/74/514140674.db2.gz KHWRDNBESPJBEU-CNNODRBYSA-N 1 3 355.526 2.575 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000417050807 514141696 /nfs/dbraw/zinc/14/16/96/514141696.db2.gz XYQLIWWUXLRZDC-YZGWKJHDSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000417050807 514141699 /nfs/dbraw/zinc/14/16/99/514141699.db2.gz XYQLIWWUXLRZDC-YZGWKJHDSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444176568 514145705 /nfs/dbraw/zinc/14/57/05/514145705.db2.gz PYVOPOOSGPFENK-IXDOHACOSA-N 1 3 359.514 2.843 20 0 FFADHO C[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444176568 514145711 /nfs/dbraw/zinc/14/57/11/514145711.db2.gz PYVOPOOSGPFENK-IXDOHACOSA-N 1 3 359.514 2.843 20 0 FFADHO Brc1ccccc1C[C@H]([NH2+]C[C@H]1CNCCCO1)C1CC1 ZINC000423492478 514151231 /nfs/dbraw/zinc/15/12/31/514151231.db2.gz NFMFWMMIKURMEE-WBVHZDCISA-N 1 3 353.304 2.738 20 0 FFADHO Brc1ccccc1C[C@H](NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492478 514151237 /nfs/dbraw/zinc/15/12/37/514151237.db2.gz NFMFWMMIKURMEE-WBVHZDCISA-N 1 3 353.304 2.738 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000417086283 514161314 /nfs/dbraw/zinc/16/13/14/514161314.db2.gz DVGYJVDSZWQAAJ-FUHWJXTLSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000417086282 514161458 /nfs/dbraw/zinc/16/14/58/514161458.db2.gz DVGYJVDSZWQAAJ-AEFFLSMTSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000452168524 514225683 /nfs/dbraw/zinc/22/56/83/514225683.db2.gz DSWLOOIDLVSSTL-AZUAARDMSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000452168524 514225688 /nfs/dbraw/zinc/22/56/88/514225688.db2.gz DSWLOOIDLVSSTL-AZUAARDMSA-N 1 3 355.526 2.841 20 0 FFADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423791106 514229751 /nfs/dbraw/zinc/22/97/51/514229751.db2.gz GSRSDUJABZGIAJ-SLFFLAALSA-N 1 3 358.530 2.660 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c2ccccc2)CC1 ZINC000417212953 514235256 /nfs/dbraw/zinc/23/52/56/514235256.db2.gz IJNNHSJSOJCVHJ-DLBZAZTESA-N 1 3 368.472 2.741 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000417215880 514236787 /nfs/dbraw/zinc/23/67/87/514236787.db2.gz ODDIXZSBNKDKFJ-PCCBWWKXSA-N 1 3 370.541 2.711 20 0 FFADHO CN(CCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000417227364 514245651 /nfs/dbraw/zinc/24/56/51/514245651.db2.gz CHTZONVMEWXQDD-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449556282 514252649 /nfs/dbraw/zinc/25/26/49/514252649.db2.gz LVHRJGXMDQWOCR-GOOCMWNKSA-N 1 3 358.438 2.943 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714159 514253489 /nfs/dbraw/zinc/25/34/89/514253489.db2.gz XJBJVZNRCBLRKS-HRCADAONSA-N 1 3 351.922 2.961 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714159 514253496 /nfs/dbraw/zinc/25/34/96/514253496.db2.gz XJBJVZNRCBLRKS-HRCADAONSA-N 1 3 351.922 2.961 20 0 FFADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)CC[NH2+]1 ZINC000414745151 514269717 /nfs/dbraw/zinc/26/97/17/514269717.db2.gz PCKIQYSEXBABFV-RYRKJORJSA-N 1 3 363.933 2.803 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417294930 514279963 /nfs/dbraw/zinc/27/99/63/514279963.db2.gz JDYPAVSCUQNMJZ-JKSUJKDBSA-N 1 3 372.435 2.749 20 0 FFADHO Cc1ccc([C@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CCC2)cc1 ZINC000427697167 514288631 /nfs/dbraw/zinc/28/86/31/514288631.db2.gz QAKDUSRIPXBNPD-JOCHJYFZSA-N 1 3 359.558 2.816 20 0 FFADHO [NH3+]C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)CC12CCOCC2 ZINC000414789284 514294992 /nfs/dbraw/zinc/29/49/92/514294992.db2.gz YIUJYWNFKKTREU-OAHLLOKOSA-N 1 3 358.404 2.815 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000420793943 514301639 /nfs/dbraw/zinc/30/16/39/514301639.db2.gz JWDKXISGZZDIKG-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000420793943 514301645 /nfs/dbraw/zinc/30/16/45/514301645.db2.gz JWDKXISGZZDIKG-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)N2CCCC2)cc1 ZINC000417351353 514306373 /nfs/dbraw/zinc/30/63/73/514306373.db2.gz CKGZYAWUZLKGGN-HXUWFJFHSA-N 1 3 370.541 2.917 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000417361381 514311901 /nfs/dbraw/zinc/31/19/01/514311901.db2.gz YVGREQMNZWGZOT-AZUAARDMSA-N 1 3 358.530 2.773 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000414833136 514316012 /nfs/dbraw/zinc/31/60/12/514316012.db2.gz RBLCHTMUTNNGEH-OLZOCXBDSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000414833136 514316017 /nfs/dbraw/zinc/31/60/17/514316017.db2.gz RBLCHTMUTNNGEH-OLZOCXBDSA-N 1 3 354.292 2.755 20 0 FFADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414856683 514326361 /nfs/dbraw/zinc/32/63/61/514326361.db2.gz ZIGPNJRJJODDAZ-KDOFPFPSSA-N 1 3 360.502 2.715 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000444858089 514352403 /nfs/dbraw/zinc/35/24/03/514352403.db2.gz WPGBYGHOZRSUNW-SFHVURJKSA-N 1 3 352.567 2.920 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000444858089 514352408 /nfs/dbraw/zinc/35/24/08/514352408.db2.gz WPGBYGHOZRSUNW-SFHVURJKSA-N 1 3 352.567 2.920 20 0 FFADHO COc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc12 ZINC000414972476 514382309 /nfs/dbraw/zinc/38/23/09/514382309.db2.gz JIUHJMICALVLCX-SFHVURJKSA-N 1 3 367.415 2.774 20 0 FFADHO C[C@H](CCC[NH3+])NCc1c(F)ccc(I)c1F ZINC000415029002 514407169 /nfs/dbraw/zinc/40/71/69/514407169.db2.gz ZROKCTVTWLXZLR-MRVPVSSYSA-N 1 3 354.182 2.786 20 0 FFADHO C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)N(C)Cc1ccccc1 ZINC000417562763 514409251 /nfs/dbraw/zinc/40/92/51/514409251.db2.gz CTTHGFYDEBIQFX-IBGZPJMESA-N 1 3 368.525 2.720 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000415036133 514410559 /nfs/dbraw/zinc/41/05/59/514410559.db2.gz FHQSPIFCQNIVDN-OALUTQOASA-N 1 3 360.498 2.819 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)Nc3ccccc3)CC2)CC1 ZINC000420985548 514423782 /nfs/dbraw/zinc/42/37/82/514423782.db2.gz WGQNPUXFXDCYNK-GOSISDBHSA-N 1 3 358.530 2.506 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)Nc3ccccc3)CC2)CC1 ZINC000420985548 514423786 /nfs/dbraw/zinc/42/37/86/514423786.db2.gz WGQNPUXFXDCYNK-GOSISDBHSA-N 1 3 358.530 2.506 20 0 FFADHO CC(C)OCc1ccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424290656 514449064 /nfs/dbraw/zinc/44/90/64/514449064.db2.gz NEJIEQJNDNGOEQ-SFHVURJKSA-N 1 3 373.541 2.692 20 0 FFADHO Cc1cc(C)cc(OCCN(C)C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424298057 514449896 /nfs/dbraw/zinc/44/98/96/514449896.db2.gz TVKKWRQQOQAERE-IBGZPJMESA-N 1 3 373.541 2.605 20 0 FFADHO COCCCOc1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415120317 514452488 /nfs/dbraw/zinc/45/24/88/514452488.db2.gz GLZRNUMYGDVJOG-PZJWPPBQSA-N 1 3 362.514 2.820 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433306743 514452883 /nfs/dbraw/zinc/45/28/83/514452883.db2.gz SYKHGYFYXNNKGX-UHFFFAOYSA-N 1 3 354.454 2.942 20 0 FFADHO CC(C)c1ccc(CCN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415145411 514468486 /nfs/dbraw/zinc/46/84/86/514468486.db2.gz XCGFOCKMCIBGBQ-NHCUHLMSSA-N 1 3 370.541 2.573 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465895636 514513229 /nfs/dbraw/zinc/51/32/29/514513229.db2.gz CMFWAIUBOYEUEK-HDICACEKSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465895636 514513239 /nfs/dbraw/zinc/51/32/39/514513239.db2.gz CMFWAIUBOYEUEK-HDICACEKSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@@H+]1C ZINC000465914163 514516441 /nfs/dbraw/zinc/51/64/41/514516441.db2.gz ADDYIGRQXOLGFG-IRXDYDNUSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@H+]1C ZINC000465914163 514516452 /nfs/dbraw/zinc/51/64/52/514516452.db2.gz ADDYIGRQXOLGFG-IRXDYDNUSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433571076 514518023 /nfs/dbraw/zinc/51/80/23/514518023.db2.gz OECNOANWDCMKJG-AEFFLSMTSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433571076 514518024 /nfs/dbraw/zinc/51/80/24/514518024.db2.gz OECNOANWDCMKJG-AEFFLSMTSA-N 1 3 350.551 2.813 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)Cc3cnccn3)CC2)c1 ZINC000453059122 514532895 /nfs/dbraw/zinc/53/28/95/514532895.db2.gz ARNMWUCXPSDQFD-HXUWFJFHSA-N 1 3 367.541 2.908 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466036266 514545148 /nfs/dbraw/zinc/54/51/48/514545148.db2.gz OUBNRZLUMXCNTK-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466036266 514545149 /nfs/dbraw/zinc/54/51/49/514545149.db2.gz OUBNRZLUMXCNTK-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000466086885 514555132 /nfs/dbraw/zinc/55/51/32/514555132.db2.gz WMKCUCJQWGXIAG-AEFFLSMTSA-N 1 3 364.559 2.868 20 0 FFADHO CC(C)[C@@H]1N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1(C)C ZINC000458106280 514570610 /nfs/dbraw/zinc/57/06/10/514570610.db2.gz CONLFRNGYHCNOB-SFHVURJKSA-N 1 3 350.551 2.621 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)cc1 ZINC000453323911 514602291 /nfs/dbraw/zinc/60/22/91/514602291.db2.gz KBSNODKFZIKBBR-HYFFOGBASA-N 1 3 372.557 2.928 20 0 FFADHO COc1cc(C)c(C[C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000502289870 514607547 /nfs/dbraw/zinc/60/75/47/514607547.db2.gz XJHSXZBDTSNQRI-IEBWSBKVSA-N 1 3 364.530 2.626 20 0 FFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000502428616 514647886 /nfs/dbraw/zinc/64/78/86/514647886.db2.gz DXGUNXOICXYPBW-PZJWPPBQSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488959610 514651331 /nfs/dbraw/zinc/65/13/31/514651331.db2.gz DAAIXTBNESKLKP-YOUFYPILSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488959610 514651339 /nfs/dbraw/zinc/65/13/39/514651339.db2.gz DAAIXTBNESKLKP-YOUFYPILSA-N 1 3 372.557 2.879 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000497836182 514654259 /nfs/dbraw/zinc/65/42/59/514654259.db2.gz NLRRJHVDIBRJMW-FXAWDEMLSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000497836182 514654267 /nfs/dbraw/zinc/65/42/67/514654267.db2.gz NLRRJHVDIBRJMW-FXAWDEMLSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@]1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000489090931 514704751 /nfs/dbraw/zinc/70/47/51/514704751.db2.gz XKKUKXROJWOIOB-RXVVDRJESA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@]1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000489090931 514704758 /nfs/dbraw/zinc/70/47/58/514704758.db2.gz XKKUKXROJWOIOB-RXVVDRJESA-N 1 3 356.514 2.577 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489133646 514724281 /nfs/dbraw/zinc/72/42/81/514724281.db2.gz GUTFRXRFSQAFAZ-CMKODMSKSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489133646 514724282 /nfs/dbraw/zinc/72/42/82/514724282.db2.gz GUTFRXRFSQAFAZ-CMKODMSKSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000484732598 514771664 /nfs/dbraw/zinc/77/16/64/514771664.db2.gz DNMUFCJKAGMISH-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000484732598 514771672 /nfs/dbraw/zinc/77/16/72/514771672.db2.gz DNMUFCJKAGMISH-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCCO1 ZINC000455844971 514777101 /nfs/dbraw/zinc/77/71/01/514777101.db2.gz HOJBUIHIECTXCT-UZLBHIALSA-N 1 3 374.529 2.858 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccnn1C(C)(C)C ZINC000484773897 514791856 /nfs/dbraw/zinc/79/18/56/514791856.db2.gz BSYYJFJNPJPQJQ-MRXNPFEDSA-N 1 3 364.538 2.518 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccnn1C(C)(C)C ZINC000484773897 514791865 /nfs/dbraw/zinc/79/18/65/514791865.db2.gz BSYYJFJNPJPQJQ-MRXNPFEDSA-N 1 3 364.538 2.518 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000479979038 514796240 /nfs/dbraw/zinc/79/62/40/514796240.db2.gz LFRAHOCJVLUXTM-QGZVFWFLSA-N 1 3 361.530 2.758 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccccc1 ZINC000498199431 514800676 /nfs/dbraw/zinc/80/06/76/514800676.db2.gz XVRWOWPQIXPQQQ-DYXWJJEUSA-N 1 3 361.530 2.720 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000508579743 514828952 /nfs/dbraw/zinc/82/89/52/514828952.db2.gz QPSGVSBHPSUEDM-WOJBJXKFSA-N 1 3 361.530 2.560 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000466923915 514829544 /nfs/dbraw/zinc/82/95/44/514829544.db2.gz NIKZXJLDLBOPFQ-WSTZPKSXSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCN(CCCOc2cccc(I)c2)C1 ZINC000484962816 514856116 /nfs/dbraw/zinc/85/61/16/514856116.db2.gz MVXSXUWSEGBYST-OLZOCXBDSA-N 1 3 374.266 2.729 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCOc2cccc(I)c2)C1 ZINC000484962815 514856428 /nfs/dbraw/zinc/85/64/28/514856428.db2.gz MVXSXUWSEGBYST-CHWSQXEVSA-N 1 3 374.266 2.729 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCN(C2CCC2)C1 ZINC000489476256 514861589 /nfs/dbraw/zinc/86/15/89/514861589.db2.gz NCTKNVQCTOUWOF-KRWDZBQOSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000458542545 514884516 /nfs/dbraw/zinc/88/45/16/514884516.db2.gz SRUODZPIHROYMJ-KRWDZBQOSA-N 1 3 366.575 2.799 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000458542545 514884530 /nfs/dbraw/zinc/88/45/30/514884530.db2.gz SRUODZPIHROYMJ-KRWDZBQOSA-N 1 3 366.575 2.799 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000489548614 514890848 /nfs/dbraw/zinc/89/08/48/514890848.db2.gz IEEQHZMCOKNKIO-UMGGQSCQSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000489548614 514890858 /nfs/dbraw/zinc/89/08/58/514890858.db2.gz IEEQHZMCOKNKIO-UMGGQSCQSA-N 1 3 358.530 2.679 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489595234 514910884 /nfs/dbraw/zinc/91/08/84/514910884.db2.gz SJXZEVFRTLAGGR-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489595234 514910890 /nfs/dbraw/zinc/91/08/90/514910890.db2.gz SJXZEVFRTLAGGR-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000503149343 514935258 /nfs/dbraw/zinc/93/52/58/514935258.db2.gz BMIGOBRTIXVOMW-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000503149343 514935266 /nfs/dbraw/zinc/93/52/66/514935266.db2.gz BMIGOBRTIXVOMW-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508898427 514945148 /nfs/dbraw/zinc/94/51/48/514945148.db2.gz QBZDPBTUJWDVGO-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508898426 514945265 /nfs/dbraw/zinc/94/52/65/514945265.db2.gz QBZDPBTUJWDVGO-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1=CCN(C)CC1 ZINC000471621872 514957799 /nfs/dbraw/zinc/95/77/99/514957799.db2.gz VBACJODHHJMPOZ-MRXNPFEDSA-N 1 3 355.482 2.693 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458634534 514973838 /nfs/dbraw/zinc/97/38/38/514973838.db2.gz ATTOFXAUYQYQDL-PKOBYXMFSA-N 1 3 360.546 2.927 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000485390740 515019335 /nfs/dbraw/zinc/01/93/35/515019335.db2.gz VDUVNBOMWLMBMB-BJLQDIEVSA-N 1 3 358.530 2.805 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000485390740 515019346 /nfs/dbraw/zinc/01/93/46/515019346.db2.gz VDUVNBOMWLMBMB-BJLQDIEVSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000503405525 515023186 /nfs/dbraw/zinc/02/31/86/515023186.db2.gz ZSXNYMYWZQIIAN-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000458771343 515078265 /nfs/dbraw/zinc/07/82/65/515078265.db2.gz MLLAJJBPPVMLRD-HBAMERQHSA-N 1 3 358.530 2.911 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000458771343 515078277 /nfs/dbraw/zinc/07/82/77/515078277.db2.gz MLLAJJBPPVMLRD-HBAMERQHSA-N 1 3 358.530 2.911 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000458876177 515165202 /nfs/dbraw/zinc/16/52/02/515165202.db2.gz ADLILIOWFMHSSO-SJLPKXTDSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000458884978 515172415 /nfs/dbraw/zinc/17/24/15/515172415.db2.gz GNSXIBKQFGVPSK-GOSISDBHSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000458884978 515172423 /nfs/dbraw/zinc/17/24/23/515172423.db2.gz GNSXIBKQFGVPSK-GOSISDBHSA-N 1 3 364.559 2.747 20 0 FFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000481026687 515178693 /nfs/dbraw/zinc/17/86/93/515178693.db2.gz SFAITHWKNXLYAS-APWZRJJASA-N 1 3 362.518 2.668 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(C)C ZINC000481236821 515256997 /nfs/dbraw/zinc/25/69/97/515256997.db2.gz XYLCTOBPEMUZOV-NBYUQASBSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N(C)C ZINC000481236821 515257004 /nfs/dbraw/zinc/25/70/04/515257004.db2.gz XYLCTOBPEMUZOV-NBYUQASBSA-N 1 3 358.530 2.912 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000504289935 515262777 /nfs/dbraw/zinc/26/27/77/515262777.db2.gz POEGXGABVOJAIJ-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000504289935 515262783 /nfs/dbraw/zinc/26/27/83/515262783.db2.gz POEGXGABVOJAIJ-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000499310515 515278545 /nfs/dbraw/zinc/27/85/45/515278545.db2.gz GIKZBJGKWZSGLP-QAPCUYQASA-N 1 3 364.534 2.573 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504339583 515279065 /nfs/dbraw/zinc/27/90/65/515279065.db2.gz VBFATNRDZUCXGR-UXHICEINSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504339583 515279071 /nfs/dbraw/zinc/27/90/71/515279071.db2.gz VBFATNRDZUCXGR-UXHICEINSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)CCOc1cccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000481311394 515287449 /nfs/dbraw/zinc/28/74/49/515287449.db2.gz VJWVIWWAHLYZDA-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000486060616 515319029 /nfs/dbraw/zinc/31/90/29/515319029.db2.gz HHUKSRHWACKJPG-WMLDXEAASA-N 1 3 371.447 2.793 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000486060616 515319035 /nfs/dbraw/zinc/31/90/35/515319035.db2.gz HHUKSRHWACKJPG-WMLDXEAASA-N 1 3 371.447 2.793 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000486066126 515321067 /nfs/dbraw/zinc/32/10/67/515321067.db2.gz UQHPIISQIXOOQF-WMLDXEAASA-N 1 3 371.447 2.793 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000486066126 515321075 /nfs/dbraw/zinc/32/10/75/515321075.db2.gz UQHPIISQIXOOQF-WMLDXEAASA-N 1 3 371.447 2.793 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCCN1C ZINC000477193270 515365243 /nfs/dbraw/zinc/36/52/43/515365243.db2.gz LMHADFYPBZCWNF-UXPWSPDFSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCCN1C ZINC000477193270 515365253 /nfs/dbraw/zinc/36/52/53/515365253.db2.gz LMHADFYPBZCWNF-UXPWSPDFSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2)C1 ZINC000454325823 515401475 /nfs/dbraw/zinc/40/14/75/515401475.db2.gz WYYGADANRAGGAO-DZFGPLHGSA-N 1 3 370.541 2.764 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2)C1 ZINC000454325823 515401486 /nfs/dbraw/zinc/40/14/86/515401486.db2.gz WYYGADANRAGGAO-DZFGPLHGSA-N 1 3 370.541 2.764 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CCCC1 ZINC000504971634 515419712 /nfs/dbraw/zinc/41/97/12/515419712.db2.gz UUHBANNHHOAMTN-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO CCOc1cc2nccc(N3CCC[N@@H+]([C@H](C)CO)CC3)c2cc1OCC ZINC000468748524 515502595 /nfs/dbraw/zinc/50/25/95/515502595.db2.gz SCTKWFZXRRDJRK-MRXNPFEDSA-N 1 3 373.497 2.925 20 0 FFADHO CCOc1cc2nccc(N3CCC[N@H+]([C@H](C)CO)CC3)c2cc1OCC ZINC000468748524 515502605 /nfs/dbraw/zinc/50/26/05/515502605.db2.gz SCTKWFZXRRDJRK-MRXNPFEDSA-N 1 3 373.497 2.925 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000510388888 515525817 /nfs/dbraw/zinc/52/58/17/515525817.db2.gz MFDYXEWGMSDQKA-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCCC1 ZINC000510573752 515593206 /nfs/dbraw/zinc/59/32/06/515593206.db2.gz NVCKNNQZLJSTOV-QFBILLFUSA-N 1 3 350.551 2.837 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)[C@H](C)C1 ZINC000477850748 515614736 /nfs/dbraw/zinc/61/47/36/515614736.db2.gz CORRFUAERNZMDL-GGPKGHCWSA-N 1 3 359.514 2.519 20 0 FFADHO O=C(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000493541080 515643979 /nfs/dbraw/zinc/64/39/79/515643979.db2.gz DHOOQZBFUMWPST-RXVVDRJESA-N 1 3 355.526 2.730 20 0 FFADHO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000493541081 515644282 /nfs/dbraw/zinc/64/42/82/515644282.db2.gz DHOOQZBFUMWPST-WIYYLYMNSA-N 1 3 355.526 2.730 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473525303 515647261 /nfs/dbraw/zinc/64/72/61/515647261.db2.gz PCKROCGZSQOURB-GPANFISMSA-N 1 3 361.452 2.782 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473525303 515647270 /nfs/dbraw/zinc/64/72/70/515647270.db2.gz PCKROCGZSQOURB-GPANFISMSA-N 1 3 361.452 2.782 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(OC(F)F)c1 ZINC000505730988 515649073 /nfs/dbraw/zinc/64/90/73/515649073.db2.gz GDUXAQJMTNLOEC-INIZCTEOSA-N 1 3 369.456 2.776 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(OC(F)F)c1 ZINC000505730988 515649083 /nfs/dbraw/zinc/64/90/83/515649083.db2.gz GDUXAQJMTNLOEC-INIZCTEOSA-N 1 3 369.456 2.776 20 0 FFADHO C[C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000510894140 515706779 /nfs/dbraw/zinc/70/67/79/515706779.db2.gz NSSHXMWHSQZPCY-BBWFWOEESA-N 1 3 353.576 2.726 20 0 FFADHO C[C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000510894140 515706784 /nfs/dbraw/zinc/70/67/84/515706784.db2.gz NSSHXMWHSQZPCY-BBWFWOEESA-N 1 3 353.576 2.726 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000482544125 515714868 /nfs/dbraw/zinc/71/48/68/515714868.db2.gz RERLLLSWRQPGNC-UKRRQHHQSA-N 1 3 373.419 2.823 20 0 FFADHO COc1ccc2oc([C@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)c(C)c2c1 ZINC000482552746 515718964 /nfs/dbraw/zinc/71/89/64/515718964.db2.gz ITEVTFKQKVKWPW-JKSUJKDBSA-N 1 3 373.497 2.988 20 0 FFADHO CCN(CCNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000487024741 515725748 /nfs/dbraw/zinc/72/57/48/515725748.db2.gz AFRLRJXKMVTYEH-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(CCNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000487024741 515725760 /nfs/dbraw/zinc/72/57/60/515725760.db2.gz AFRLRJXKMVTYEH-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccccc1 ZINC000510972232 515732716 /nfs/dbraw/zinc/73/27/16/515732716.db2.gz XJSINXAVYZCCJN-OALUTQOASA-N 1 3 356.514 2.702 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@@H]1c1ccccc1 ZINC000510972231 515733207 /nfs/dbraw/zinc/73/32/07/515733207.db2.gz XJSINXAVYZCCJN-MOPGFXCFSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)C1=CCN(C)CC1 ZINC000454818196 515764978 /nfs/dbraw/zinc/76/49/78/515764978.db2.gz OVIMNUNDFJHSDM-SFHVURJKSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@H](NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)C1=CCN(C)CC1 ZINC000454818196 515764986 /nfs/dbraw/zinc/76/49/86/515764986.db2.gz OVIMNUNDFJHSDM-SFHVURJKSA-N 1 3 370.541 2.991 20 0 FFADHO CC(C)(CNC(=O)NCCCN1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000478409678 515812293 /nfs/dbraw/zinc/81/22/93/515812293.db2.gz FGIBZFHYUIWRPD-UHFFFAOYSA-N 1 3 372.557 2.856 20 0 FFADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC/C=C\c3ccncc3)c2)C1 ZINC000487315858 515827211 /nfs/dbraw/zinc/82/72/11/515827211.db2.gz ZEMIYDVDYBWBFM-KGRKVLGDSA-N 1 3 364.493 2.582 20 0 FFADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC/C=C\c3ccncc3)c2)C1 ZINC000487315858 515827216 /nfs/dbraw/zinc/82/72/16/515827216.db2.gz ZEMIYDVDYBWBFM-KGRKVLGDSA-N 1 3 364.493 2.582 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511215737 515831167 /nfs/dbraw/zinc/83/11/67/515831167.db2.gz JEARJEOBZGIUFW-NSHGMRRFSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511215737 515831171 /nfs/dbraw/zinc/83/11/71/515831171.db2.gz JEARJEOBZGIUFW-NSHGMRRFSA-N 1 3 362.562 2.909 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000500832086 515875273 /nfs/dbraw/zinc/87/52/73/515875273.db2.gz LBQJJLHKCPRRBG-AZUAARDMSA-N 1 3 371.529 2.566 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000500832086 515875282 /nfs/dbraw/zinc/87/52/82/515875282.db2.gz LBQJJLHKCPRRBG-AZUAARDMSA-N 1 3 371.529 2.566 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511484551 515920748 /nfs/dbraw/zinc/92/07/48/515920748.db2.gz ZENXAHDIZKBZBI-SJLPKXTDSA-N 1 3 367.484 2.990 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511484551 515920758 /nfs/dbraw/zinc/92/07/58/515920758.db2.gz ZENXAHDIZKBZBI-SJLPKXTDSA-N 1 3 367.484 2.990 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511484550 515921183 /nfs/dbraw/zinc/92/11/83/515921183.db2.gz ZENXAHDIZKBZBI-FUHWJXTLSA-N 1 3 367.484 2.990 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511484550 515921193 /nfs/dbraw/zinc/92/11/93/515921193.db2.gz ZENXAHDIZKBZBI-FUHWJXTLSA-N 1 3 367.484 2.990 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000457540580 515955422 /nfs/dbraw/zinc/95/54/22/515955422.db2.gz OVOFFGVTHONFIP-HXUWFJFHSA-N 1 3 358.530 2.907 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)[C@@H](C)C1 ZINC000469791603 515967625 /nfs/dbraw/zinc/96/76/25/515967625.db2.gz SRFHYFKPSIEZHW-FHWLQOOXSA-N 1 3 355.567 2.747 20 0 FFADHO CCCOc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469859836 516000976 /nfs/dbraw/zinc/00/09/76/516000976.db2.gz CCPAQOKMFQEDOO-UYAOXDASSA-N 1 3 359.514 2.556 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@@H](C)C1 ZINC000487841477 516001839 /nfs/dbraw/zinc/00/18/39/516001839.db2.gz SAMYEJRRVWEERH-QGZVKYPTSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000487844125 516004814 /nfs/dbraw/zinc/00/48/14/516004814.db2.gz VQQQKPIUYHDWDH-XCDZQEORSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000487844125 516004820 /nfs/dbraw/zinc/00/48/20/516004820.db2.gz VQQQKPIUYHDWDH-XCDZQEORSA-N 1 3 350.551 2.621 20 0 FFADHO Cc1ccc2c(c1)CCN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC000478961237 516020075 /nfs/dbraw/zinc/02/00/75/516020075.db2.gz NWPSBOFMHOLMHS-UHFFFAOYSA-N 1 3 370.541 2.621 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000465006538 516040565 /nfs/dbraw/zinc/04/05/65/516040565.db2.gz GQNXOCUBTDDJLR-IOJLRTSASA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000465006538 516040575 /nfs/dbraw/zinc/04/05/75/516040575.db2.gz GQNXOCUBTDDJLR-IOJLRTSASA-N 1 3 364.578 2.870 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000479072084 516046050 /nfs/dbraw/zinc/04/60/50/516046050.db2.gz UOOCWYMYIHUQSD-YJBOKZPZSA-N 1 3 369.575 2.968 20 0 FFADHO CC[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)N1CCc2ccccc2C1 ZINC000501330767 516065230 /nfs/dbraw/zinc/06/52/30/516065230.db2.gz JMTHMNHRQHJMLA-NRFANRHFSA-N 1 3 372.557 2.854 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457687351 516070121 /nfs/dbraw/zinc/07/01/21/516070121.db2.gz GFHZDQYVMUCZAM-UHFFFAOYSA-N 1 3 356.514 2.679 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000470012770 516079488 /nfs/dbraw/zinc/07/94/88/516079488.db2.gz JVAIGEKDMRJGMP-QGZVFWFLSA-N 1 3 354.454 2.769 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000488035569 516088710 /nfs/dbraw/zinc/08/87/10/516088710.db2.gz OPFFQKRUINZCBY-YFVAEKQCSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000488035569 516088719 /nfs/dbraw/zinc/08/87/19/516088719.db2.gz OPFFQKRUINZCBY-YFVAEKQCSA-N 1 3 356.514 2.559 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C/C=C/c2ccncc2)CC1 ZINC000495168681 516088810 /nfs/dbraw/zinc/08/88/10/516088810.db2.gz BHRCPHFNJXEQBV-AATRIKPKSA-N 1 3 358.530 2.511 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)Cc1ccccc1 ZINC000501393290 516089584 /nfs/dbraw/zinc/08/95/84/516089584.db2.gz YODQPRFUPZNHII-RTWAWAEBSA-N 1 3 374.573 2.969 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000501410731 516096457 /nfs/dbraw/zinc/09/64/57/516096457.db2.gz ZSBJURZVKVFSKL-NJYVYQBISA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000501410731 516096467 /nfs/dbraw/zinc/09/64/67/516096467.db2.gz ZSBJURZVKVFSKL-NJYVYQBISA-N 1 3 370.541 2.749 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000483492058 516106666 /nfs/dbraw/zinc/10/66/66/516106666.db2.gz NVLPYXZGWFZOEK-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000483492058 516106674 /nfs/dbraw/zinc/10/66/74/516106674.db2.gz NVLPYXZGWFZOEK-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO NC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000479208000 516109151 /nfs/dbraw/zinc/10/91/51/516109151.db2.gz UCKFEGJAODBXFC-XLIONFOSSA-N 1 3 361.505 2.983 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCC[C@H]1C ZINC000501492405 516121387 /nfs/dbraw/zinc/12/13/87/516121387.db2.gz UQXOWVYHOGFSSD-MSOLQXFVSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457753294 516121259 /nfs/dbraw/zinc/12/12/59/516121259.db2.gz XODPIFPTXUVHBC-OTWHNJEPSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457753294 516121270 /nfs/dbraw/zinc/12/12/70/516121270.db2.gz XODPIFPTXUVHBC-OTWHNJEPSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000501523987 516139676 /nfs/dbraw/zinc/13/96/76/516139676.db2.gz VGQUTGOBBYGUGM-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000501523987 516139685 /nfs/dbraw/zinc/13/96/85/516139685.db2.gz VGQUTGOBBYGUGM-CEXWTWQISA-N 1 3 352.567 2.918 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000465398727 516139967 /nfs/dbraw/zinc/13/99/67/516139967.db2.gz GANATYFLLDIFBQ-FQEVSTJZSA-N 1 3 364.578 2.872 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000465398727 516139972 /nfs/dbraw/zinc/13/99/72/516139972.db2.gz GANATYFLLDIFBQ-FQEVSTJZSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000465424681 516147190 /nfs/dbraw/zinc/14/71/90/516147190.db2.gz PKFXSKDEEFNAIG-OWCLPIDISA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000465424681 516147180 /nfs/dbraw/zinc/14/71/80/516147180.db2.gz PKFXSKDEEFNAIG-OWCLPIDISA-N 1 3 350.532 2.667 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483682672 516169867 /nfs/dbraw/zinc/16/98/67/516169867.db2.gz NCPHKCJCFYXWDP-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483682672 516169882 /nfs/dbraw/zinc/16/98/82/516169882.db2.gz NCPHKCJCFYXWDP-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+]1CCCC[C@H]1C ZINC000465532888 516183510 /nfs/dbraw/zinc/18/35/10/516183510.db2.gz WFBVDFXIWMSGNB-QZTJIDSGSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+]1CCCC[C@H]1C ZINC000465532888 516183518 /nfs/dbraw/zinc/18/35/18/516183518.db2.gz WFBVDFXIWMSGNB-QZTJIDSGSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)c(Cl)c1 ZINC000512240393 516207811 /nfs/dbraw/zinc/20/78/11/516207811.db2.gz APMOTABSZPVRCR-HNNXBMFYSA-N 1 3 357.901 2.520 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cc1C ZINC000465636200 516217063 /nfs/dbraw/zinc/21/70/63/516217063.db2.gz LCBUOOCKEXOYRM-FQEVSTJZSA-N 1 3 360.546 2.861 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cc1C ZINC000465636200 516217067 /nfs/dbraw/zinc/21/70/67/516217067.db2.gz LCBUOOCKEXOYRM-FQEVSTJZSA-N 1 3 360.546 2.861 20 0 FFADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CNC2 ZINC000470374398 516227609 /nfs/dbraw/zinc/22/76/09/516227609.db2.gz PLANIELUHRARQB-UHFFFAOYSA-N 1 3 365.477 2.694 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000465736045 516242317 /nfs/dbraw/zinc/24/23/17/516242317.db2.gz IUPHZPJXRCGPIA-AQNXPRMDSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000465736045 516242322 /nfs/dbraw/zinc/24/23/22/516242322.db2.gz IUPHZPJXRCGPIA-AQNXPRMDSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000465733334 516242403 /nfs/dbraw/zinc/24/24/03/516242403.db2.gz WLSRZCXPQZTZTK-CEXWTWQISA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000465733334 516242413 /nfs/dbraw/zinc/24/24/13/516242413.db2.gz WLSRZCXPQZTZTK-CEXWTWQISA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc2ccccc2[nH]1 ZINC000465802880 516261595 /nfs/dbraw/zinc/26/15/95/516261595.db2.gz BHIFZHXMEQSDFQ-LJQANCHMSA-N 1 3 371.529 2.725 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc2ccccc2[nH]1 ZINC000465802880 516261605 /nfs/dbraw/zinc/26/16/05/516261605.db2.gz BHIFZHXMEQSDFQ-LJQANCHMSA-N 1 3 371.529 2.725 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000512433152 516277159 /nfs/dbraw/zinc/27/71/59/516277159.db2.gz XQJWWSPOXPGCQI-RXVVDRJESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000512433152 516277166 /nfs/dbraw/zinc/27/71/66/516277166.db2.gz XQJWWSPOXPGCQI-RXVVDRJESA-N 1 3 358.530 2.634 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488681293 516286711 /nfs/dbraw/zinc/28/67/11/516286711.db2.gz UGGNOJPOFORZOB-ZHALLVOQSA-N 1 3 350.551 2.623 20 0 FFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000484164887 516307765 /nfs/dbraw/zinc/30/77/65/516307765.db2.gz NOMIJICTOKUVRQ-INIZCTEOSA-N 1 3 362.518 2.668 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000497388022 516318567 /nfs/dbraw/zinc/31/85/67/516318567.db2.gz SULUAEJSTNOFHB-KRWDZBQOSA-N 1 3 362.518 2.965 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCN4CCSCC4)[C@H]3C2)cc1 ZINC000512662648 516319135 /nfs/dbraw/zinc/31/91/35/516319135.db2.gz ZGXOYOQEMDJSBD-PCCBWWKXSA-N 1 3 359.583 2.926 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCN4CCSCC4)[C@H]3C2)cc1 ZINC000512662648 516319138 /nfs/dbraw/zinc/31/91/38/516319138.db2.gz ZGXOYOQEMDJSBD-PCCBWWKXSA-N 1 3 359.583 2.926 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCN4CCSCC4)[C@H]3C2)cc1 ZINC000512662648 516319140 /nfs/dbraw/zinc/31/91/40/516319140.db2.gz ZGXOYOQEMDJSBD-PCCBWWKXSA-N 1 3 359.583 2.926 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497491098 516323702 /nfs/dbraw/zinc/32/37/02/516323702.db2.gz QDPIPHJUBVIASD-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497491098 516323703 /nfs/dbraw/zinc/32/37/03/516323703.db2.gz QDPIPHJUBVIASD-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000497620772 516328218 /nfs/dbraw/zinc/32/82/18/516328218.db2.gz HXKZPRZUBZXGNF-FXAWDEMLSA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000497620772 516328219 /nfs/dbraw/zinc/32/82/19/516328219.db2.gz HXKZPRZUBZXGNF-FXAWDEMLSA-N 1 3 374.529 2.612 20 0 FFADHO CN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC000557663846 516369411 /nfs/dbraw/zinc/36/94/11/516369411.db2.gz OINBQIFNNSNUKR-NHCUHLMSSA-N 1 3 351.494 2.966 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000523202363 516407435 /nfs/dbraw/zinc/40/74/35/516407435.db2.gz MJBLQMJKPKADIK-QWFCFKBJSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000523202363 516407441 /nfs/dbraw/zinc/40/74/41/516407441.db2.gz MJBLQMJKPKADIK-QWFCFKBJSA-N 1 3 358.530 2.851 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000518127689 516555505 /nfs/dbraw/zinc/55/55/05/516555505.db2.gz HHIFEXKBEUSXNL-NRFANRHFSA-N 1 3 355.526 2.910 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000518127689 516555510 /nfs/dbraw/zinc/55/55/10/516555510.db2.gz HHIFEXKBEUSXNL-NRFANRHFSA-N 1 3 355.526 2.910 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000518127690 516556680 /nfs/dbraw/zinc/55/66/80/516556680.db2.gz HHIFEXKBEUSXNL-OAQYLSRUSA-N 1 3 355.526 2.910 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000518127690 516556686 /nfs/dbraw/zinc/55/66/86/516556686.db2.gz HHIFEXKBEUSXNL-OAQYLSRUSA-N 1 3 355.526 2.910 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NCC1=CCN(C)CC1)Cc1ccccc1 ZINC000540529280 516602860 /nfs/dbraw/zinc/60/28/60/516602860.db2.gz IWURRPMACGHNGW-HXUWFJFHSA-N 1 3 358.530 2.501 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)N(C)C)cc1 ZINC000561539634 516641222 /nfs/dbraw/zinc/64/12/22/516641222.db2.gz JAHQGEBFFFQEDM-IHPCNDPISA-N 1 3 358.530 2.866 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528718985 516642648 /nfs/dbraw/zinc/64/26/48/516642648.db2.gz HLYZUFKCELHFSY-QFBILLFUSA-N 1 3 370.497 2.649 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528718985 516642655 /nfs/dbraw/zinc/64/26/55/516642655.db2.gz HLYZUFKCELHFSY-QFBILLFUSA-N 1 3 370.497 2.649 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N(C)C ZINC000561553870 516648239 /nfs/dbraw/zinc/64/82/39/516648239.db2.gz JXZQSWSYRSIZKS-GGPKGHCWSA-N 1 3 358.530 2.866 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(C)(C)C ZINC000558290153 516681575 /nfs/dbraw/zinc/68/15/75/516681575.db2.gz VUITYMJWOJCQDE-QGZVFWFLSA-N 1 3 353.551 2.504 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000554886738 516681588 /nfs/dbraw/zinc/68/15/88/516681588.db2.gz HONBQFJTYVGUKI-GOSISDBHSA-N 1 3 372.557 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000554886738 516681600 /nfs/dbraw/zinc/68/16/00/516681600.db2.gz HONBQFJTYVGUKI-GOSISDBHSA-N 1 3 372.557 2.853 20 0 FFADHO C[C@@H](CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[NH+]1CCCCC1 ZINC000544332608 516704895 /nfs/dbraw/zinc/70/48/95/516704895.db2.gz SLYUJJDCPDTHEA-AZUAARDMSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000540813947 516724480 /nfs/dbraw/zinc/72/44/80/516724480.db2.gz QUSJLMITVSIPNA-INIZCTEOSA-N 1 3 356.470 2.701 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540813947 516724491 /nfs/dbraw/zinc/72/44/91/516724491.db2.gz QUSJLMITVSIPNA-INIZCTEOSA-N 1 3 356.470 2.701 20 0 FFADHO Cc1c([C@@H](C)NCCCC[NH+]2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000531939375 516725669 /nfs/dbraw/zinc/72/56/69/516725669.db2.gz MFULCULWOLPHTQ-GOSISDBHSA-N 1 3 370.545 2.562 20 0 FFADHO C[N@H+](CCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)C1CCCCC1 ZINC000548065096 516737246 /nfs/dbraw/zinc/73/72/46/516737246.db2.gz CMNJOSIWJHTION-HXUWFJFHSA-N 1 3 365.562 2.744 20 0 FFADHO C[N@@H+](CCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)C1CCCCC1 ZINC000548065096 516737251 /nfs/dbraw/zinc/73/72/51/516737251.db2.gz CMNJOSIWJHTION-HXUWFJFHSA-N 1 3 365.562 2.744 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@H](C)C1 ZINC000551565305 516763733 /nfs/dbraw/zinc/76/37/33/516763733.db2.gz STGJMMDQWZWGKK-GDBMZVCRSA-N 1 3 357.445 2.910 20 0 FFADHO Cc1nccn1CCCN1CC[N@H+](CCCn2ccnc2C)CC1(C)C ZINC000536475525 516781702 /nfs/dbraw/zinc/78/17/02/516781702.db2.gz FMBUEJQZYGLCBT-UHFFFAOYSA-N 1 3 358.534 2.573 20 0 FFADHO Cc1nccn1CCCN1CC[N@@H+](CCCn2ccnc2C)CC1(C)C ZINC000536475525 516781710 /nfs/dbraw/zinc/78/17/10/516781710.db2.gz FMBUEJQZYGLCBT-UHFFFAOYSA-N 1 3 358.534 2.573 20 0 FFADHO Cc1nccn1CCCN1CC[N@H+](CCCn2ccnc2C)C(C)(C)C1 ZINC000536475525 516781719 /nfs/dbraw/zinc/78/17/19/516781719.db2.gz FMBUEJQZYGLCBT-UHFFFAOYSA-N 1 3 358.534 2.573 20 0 FFADHO Cc1nccn1CCCN1CC[N@@H+](CCCn2ccnc2C)C(C)(C)C1 ZINC000536475525 516781725 /nfs/dbraw/zinc/78/17/25/516781725.db2.gz FMBUEJQZYGLCBT-UHFFFAOYSA-N 1 3 358.534 2.573 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000524658792 516782366 /nfs/dbraw/zinc/78/23/66/516782366.db2.gz KLRVCKKCBJTBNS-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccs1 ZINC000561971005 516854212 /nfs/dbraw/zinc/85/42/12/516854212.db2.gz VALUFKFHVZBNTA-QGZVFWFLSA-N 1 3 361.559 2.986 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccs1 ZINC000561971005 516854221 /nfs/dbraw/zinc/85/42/21/516854221.db2.gz VALUFKFHVZBNTA-QGZVFWFLSA-N 1 3 361.559 2.986 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1CCCC[C@H]1C ZINC000514087659 516856908 /nfs/dbraw/zinc/85/69/08/516856908.db2.gz IDWWTQALGSUVIY-DLBZAZTESA-N 1 3 357.498 2.915 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000514173933 516889777 /nfs/dbraw/zinc/88/97/77/516889777.db2.gz ZVWXJUMZKSHUGW-ICSRJNTNSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514232581 516916788 /nfs/dbraw/zinc/91/67/88/516916788.db2.gz NIDCGLSHCDQXHJ-HBFSDRIKSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514232581 516916790 /nfs/dbraw/zinc/91/67/90/516916790.db2.gz NIDCGLSHCDQXHJ-HBFSDRIKSA-N 1 3 358.530 2.853 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000514663384 516989071 /nfs/dbraw/zinc/98/90/71/516989071.db2.gz OIDHFULVCFVSKA-RBUKOAKNSA-N 1 3 358.530 2.667 20 0 FFADHO O=C(CCNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1cccc(Cl)c1 ZINC000514788849 517057417 /nfs/dbraw/zinc/05/74/17/517057417.db2.gz OIECMRLKEVJWTM-MSOLQXFVSA-N 1 3 365.905 2.636 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000529353274 517096099 /nfs/dbraw/zinc/09/60/99/517096099.db2.gz GPIAJALUGWTNNA-RTBURBONSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CCN(Cc2ccccc2)CC1 ZINC000529358942 517099507 /nfs/dbraw/zinc/09/95/07/517099507.db2.gz JVNCATJIDMSBQM-IBGZPJMESA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529362018 517101963 /nfs/dbraw/zinc/10/19/63/517101963.db2.gz RHTMFKWANGORLT-HKUYNNGSSA-N 1 3 356.514 2.577 20 0 FFADHO CC[N@H+](CCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1)CC(C)C ZINC000537290518 517128501 /nfs/dbraw/zinc/12/85/01/517128501.db2.gz LZHLBSABVZKJAV-OYRHEFFESA-N 1 3 351.579 2.930 20 0 FFADHO CC[N@@H+](CCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1)CC(C)C ZINC000537290518 517128510 /nfs/dbraw/zinc/12/85/10/517128510.db2.gz LZHLBSABVZKJAV-OYRHEFFESA-N 1 3 351.579 2.930 20 0 FFADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000537293149 517129564 /nfs/dbraw/zinc/12/95/64/517129564.db2.gz WEQCVSYXIBCTMV-VQTJNVASSA-N 1 3 360.546 2.777 20 0 FFADHO C[NH2+]CCC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000514938343 517133044 /nfs/dbraw/zinc/13/30/44/517133044.db2.gz GIHUFPGYRQPTSA-LJQANCHMSA-N 1 3 365.468 2.777 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000532860130 517172766 /nfs/dbraw/zinc/17/27/66/517172766.db2.gz KMWCSFVFEXKELQ-GOSISDBHSA-N 1 3 360.502 2.767 20 0 FFADHO CN(CCN1CC[NH2+]CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000515060614 517194191 /nfs/dbraw/zinc/19/41/91/517194191.db2.gz VCHQTEZXXUDTHP-HNNXBMFYSA-N 1 3 370.360 2.823 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525885203 517216135 /nfs/dbraw/zinc/21/61/35/517216135.db2.gz AUSPYIBIHVQBEI-UHFFFAOYSA-N 1 3 356.898 2.614 20 0 FFADHO NC(=O)[C@@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000541798324 517221355 /nfs/dbraw/zinc/22/13/55/517221355.db2.gz CIXQBKMLCMDEMZ-OAQYLSRUSA-N 1 3 351.494 2.859 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000519912260 517239866 /nfs/dbraw/zinc/23/98/66/517239866.db2.gz ZBPDELZBRJUMPU-UHFFFAOYSA-N 1 3 362.518 2.965 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000519912260 517239877 /nfs/dbraw/zinc/23/98/77/517239877.db2.gz ZBPDELZBRJUMPU-UHFFFAOYSA-N 1 3 362.518 2.965 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H](C(C)C)N2CCCCC2)C[C@H]1[NH+]1CCCC1 ZINC000541841849 517245361 /nfs/dbraw/zinc/24/53/61/517245361.db2.gz LWGXBTWANPPTBG-KURKYZTESA-N 1 3 353.576 2.535 20 0 FFADHO CN(CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000525944374 517249686 /nfs/dbraw/zinc/24/96/86/517249686.db2.gz ZJNJMJNTXCTAEC-IBGZPJMESA-N 1 3 352.482 2.546 20 0 FFADHO CN(CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000525944374 517249692 /nfs/dbraw/zinc/24/96/92/517249692.db2.gz ZJNJMJNTXCTAEC-IBGZPJMESA-N 1 3 352.482 2.546 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000548883079 517277107 /nfs/dbraw/zinc/27/71/07/517277107.db2.gz LSZZNZUFMXVCMT-NRFANRHFSA-N 1 3 355.526 2.684 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000526110711 517347917 /nfs/dbraw/zinc/34/79/17/517347917.db2.gz PZDAUOOIIRDZOT-UXHICEINSA-N 1 3 360.546 2.533 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc2c1CCNC2 ZINC000562768270 517380913 /nfs/dbraw/zinc/38/09/13/517380913.db2.gz ZTQZNDFRNBNWOT-GOSISDBHSA-N 1 3 364.493 2.976 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc2c1CCNC2 ZINC000562768270 517380926 /nfs/dbraw/zinc/38/09/26/517380926.db2.gz ZTQZNDFRNBNWOT-GOSISDBHSA-N 1 3 364.493 2.976 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000515621051 517426495 /nfs/dbraw/zinc/42/64/95/517426495.db2.gz VYRZJOYBARPGNL-XUVXKRRUSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000515621051 517426503 /nfs/dbraw/zinc/42/65/03/517426503.db2.gz VYRZJOYBARPGNL-XUVXKRRUSA-N 1 3 358.530 2.936 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000562815161 517427059 /nfs/dbraw/zinc/42/70/59/517427059.db2.gz JVSBAEJDFGFBOX-NJDAHSKKSA-N 1 3 366.509 2.965 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000562815161 517427070 /nfs/dbraw/zinc/42/70/70/517427070.db2.gz JVSBAEJDFGFBOX-NJDAHSKKSA-N 1 3 366.509 2.965 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000556441386 517430551 /nfs/dbraw/zinc/43/05/51/517430551.db2.gz KUJLZJDEWFEMAW-HXUWFJFHSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000556441386 517430556 /nfs/dbraw/zinc/43/05/56/517430556.db2.gz KUJLZJDEWFEMAW-HXUWFJFHSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000520574912 517441843 /nfs/dbraw/zinc/44/18/43/517441843.db2.gz UKEGRIBLRFMPPN-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000520607977 517453136 /nfs/dbraw/zinc/45/31/36/517453136.db2.gz NKDHKGRAOVHKFB-FMWKFLBASA-N 1 3 355.526 2.697 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000520607977 517453143 /nfs/dbraw/zinc/45/31/43/517453143.db2.gz NKDHKGRAOVHKFB-FMWKFLBASA-N 1 3 355.526 2.697 20 0 FFADHO OC[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)O1 ZINC000559870354 517465559 /nfs/dbraw/zinc/46/55/59/517465559.db2.gz GZNCREXFRPYZMT-LXHROKJGSA-N 1 3 358.526 2.807 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000553066812 517506581 /nfs/dbraw/zinc/50/65/81/517506581.db2.gz RHAFLOZMSYGBID-FQEVSTJZSA-N 1 3 358.530 2.628 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562942498 517519496 /nfs/dbraw/zinc/51/94/96/517519496.db2.gz FOXSACJTYUDXCS-QRQLOZEOSA-N 1 3 362.562 2.765 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000562942498 517519508 /nfs/dbraw/zinc/51/95/08/517519508.db2.gz FOXSACJTYUDXCS-QRQLOZEOSA-N 1 3 362.562 2.765 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@H](NCCC(=O)NC(C)(C)C)c1ccccc1O2 ZINC000538294307 517546672 /nfs/dbraw/zinc/54/66/72/517546672.db2.gz SVQQTIVMJUZOLM-KRWDZBQOSA-N 1 3 359.514 2.869 20 0 FFADHO COc1cncc(/C=C/CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000516055482 517549009 /nfs/dbraw/zinc/54/90/09/517549009.db2.gz FCDLCQFIADFHHW-GQCTYLIASA-N 1 3 372.557 2.843 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN3CCC2CC3)C1 ZINC000560093688 517576151 /nfs/dbraw/zinc/57/61/51/517576151.db2.gz BFTNVVQAIPRIGT-GOSISDBHSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN3CCC2CC3)C1 ZINC000560093688 517576159 /nfs/dbraw/zinc/57/61/59/517576159.db2.gz BFTNVVQAIPRIGT-GOSISDBHSA-N 1 3 370.541 2.908 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000533768121 517602876 /nfs/dbraw/zinc/60/28/76/517602876.db2.gz VUBUINAGVPVCOH-SFHVURJKSA-N 1 3 374.529 2.823 20 0 FFADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1CCCCC[NH2+]1 ZINC000563211229 517741033 /nfs/dbraw/zinc/74/10/33/517741033.db2.gz UTSKLZOPEXHZLF-FQEVSTJZSA-N 1 3 356.514 2.689 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)[C@H]1c1cccs1 ZINC000563271186 517783965 /nfs/dbraw/zinc/78/39/65/517783965.db2.gz KPEVNAPZIICKRA-WMZOPIPTSA-N 1 3 364.559 2.901 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527640149 517815633 /nfs/dbraw/zinc/81/56/33/517815633.db2.gz KVMZFLCCUNPMDT-AWEZNQCLSA-N 1 3 359.436 2.830 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000521697347 517832693 /nfs/dbraw/zinc/83/26/93/517832693.db2.gz GVLQRMQGEBTYDQ-RTBURBONSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000521697347 517832704 /nfs/dbraw/zinc/83/27/04/517832704.db2.gz GVLQRMQGEBTYDQ-RTBURBONSA-N 1 3 350.551 2.768 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)CC1CC1 ZINC000538910094 517838632 /nfs/dbraw/zinc/83/86/32/517838632.db2.gz MMVXYXNWRJJLRM-LJQANCHMSA-N 1 3 362.562 2.767 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)CC1CC1 ZINC000538910094 517838638 /nfs/dbraw/zinc/83/86/38/517838638.db2.gz MMVXYXNWRJJLRM-LJQANCHMSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cccc(N2CCCC2=O)c1 ZINC000539057726 517897833 /nfs/dbraw/zinc/89/78/33/517897833.db2.gz HHLXBPHJQPWGFV-DQLDELGASA-N 1 3 371.525 2.842 20 0 FFADHO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000560574540 517903188 /nfs/dbraw/zinc/90/31/88/517903188.db2.gz NUPLADBAGLHCIW-QWHCGFSZSA-N 1 3 365.547 2.528 20 0 FFADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530663206 517909366 /nfs/dbraw/zinc/90/93/66/517909366.db2.gz AIKDVUOEUMLOHO-AVRDEDQJSA-N 1 3 367.493 2.630 20 0 FFADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530663206 517909375 /nfs/dbraw/zinc/90/93/75/517909375.db2.gz AIKDVUOEUMLOHO-AVRDEDQJSA-N 1 3 367.493 2.630 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc3c(c2F)CCNC3)cc1 ZINC000516915362 517911309 /nfs/dbraw/zinc/91/13/09/517911309.db2.gz PPHSBNXFSQRFKD-UHFFFAOYSA-N 1 3 370.472 2.897 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000534526727 517927689 /nfs/dbraw/zinc/92/76/89/517927689.db2.gz GLCAAHZAXKUZJF-OAQYLSRUSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000534526727 517927700 /nfs/dbraw/zinc/92/77/00/517927700.db2.gz GLCAAHZAXKUZJF-OAQYLSRUSA-N 1 3 372.557 2.819 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)[C@H](C)C1 ZINC000527937319 517999686 /nfs/dbraw/zinc/99/96/86/517999686.db2.gz HODRPPZLVFKEHX-OWCLPIDISA-N 1 3 362.440 2.713 20 0 FFADHO C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000554142561 518081486 /nfs/dbraw/zinc/08/14/86/518081486.db2.gz TVBRYZDPFKCKTB-AUSIDOKSSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000554142561 518081495 /nfs/dbraw/zinc/08/14/95/518081495.db2.gz TVBRYZDPFKCKTB-AUSIDOKSSA-N 1 3 369.553 2.884 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000522343043 518082880 /nfs/dbraw/zinc/08/28/80/518082880.db2.gz GKYIDZILENWXAI-UYAOXDASSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000522343043 518082892 /nfs/dbraw/zinc/08/28/92/518082892.db2.gz GKYIDZILENWXAI-UYAOXDASSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C(=O)[C@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000517239648 518084689 /nfs/dbraw/zinc/08/46/89/518084689.db2.gz VKURDJNSEDLIDH-WOJBJXKFSA-N 1 3 355.457 2.601 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000517273400 518103890 /nfs/dbraw/zinc/10/38/90/518103890.db2.gz NKQMKDQZCXMTDM-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000517273400 518103901 /nfs/dbraw/zinc/10/39/01/518103901.db2.gz NKQMKDQZCXMTDM-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000522469361 518113877 /nfs/dbraw/zinc/11/38/77/518113877.db2.gz YPTXJAWJZCFZNL-IBGZPJMESA-N 1 3 360.546 2.677 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000517376651 518132790 /nfs/dbraw/zinc/13/27/90/518132790.db2.gz FFXXRKJWRPJRSB-CZAAIQMYSA-N 1 3 369.484 2.895 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000517376651 518132794 /nfs/dbraw/zinc/13/27/94/518132794.db2.gz FFXXRKJWRPJRSB-CZAAIQMYSA-N 1 3 369.484 2.895 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000517389881 518135291 /nfs/dbraw/zinc/13/52/91/518135291.db2.gz UYZLFZYVHVTSTL-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)o1 ZINC000517423001 518144801 /nfs/dbraw/zinc/14/48/01/518144801.db2.gz OUPIJVROIRFUBF-IAGOWNOFSA-N 1 3 364.534 2.924 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000528284474 518163749 /nfs/dbraw/zinc/16/37/49/518163749.db2.gz GJIBOPROPYVLCT-ICSRJNTNSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000528284474 518163750 /nfs/dbraw/zinc/16/37/50/518163750.db2.gz GJIBOPROPYVLCT-ICSRJNTNSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000566785240 518206516 /nfs/dbraw/zinc/20/65/16/518206516.db2.gz IYBDDYPJFHVXKO-FQEVSTJZSA-N 1 3 360.502 2.754 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000563882621 518213245 /nfs/dbraw/zinc/21/32/45/518213245.db2.gz CGVRKRGFLBWVBS-VAMGGRTRSA-N 1 3 373.566 2.595 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000563882621 518213247 /nfs/dbraw/zinc/21/32/47/518213247.db2.gz CGVRKRGFLBWVBS-VAMGGRTRSA-N 1 3 373.566 2.595 20 0 FFADHO [NH3+][C@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)CC1CCCCC1 ZINC000581308481 518223041 /nfs/dbraw/zinc/22/30/41/518223041.db2.gz PSQIKHWJVQOGLX-HXUWFJFHSA-N 1 3 365.562 2.635 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000563963195 518249924 /nfs/dbraw/zinc/24/99/24/518249924.db2.gz MAQHDAPMWGLAKE-BAGYTPMASA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000563963195 518249931 /nfs/dbraw/zinc/24/99/31/518249931.db2.gz MAQHDAPMWGLAKE-BAGYTPMASA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000563963195 518249937 /nfs/dbraw/zinc/24/99/37/518249937.db2.gz MAQHDAPMWGLAKE-BAGYTPMASA-N 1 3 359.558 2.986 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000569727287 518259581 /nfs/dbraw/zinc/25/95/81/518259581.db2.gz PRWMKIFCBOZAFI-APWZRJJASA-N 1 3 372.513 2.828 20 0 FFADHO CC(C)C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCCc2cccnc21 ZINC000572612566 518276704 /nfs/dbraw/zinc/27/67/04/518276704.db2.gz GUBBJENRQHDZLW-HKUYNNGSSA-N 1 3 358.530 2.614 20 0 FFADHO CC(C)C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCCc2cccnc21 ZINC000572612566 518276710 /nfs/dbraw/zinc/27/67/10/518276710.db2.gz GUBBJENRQHDZLW-HKUYNNGSSA-N 1 3 358.530 2.614 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCc4occc43)CC2)CC1 ZINC000566964847 518287323 /nfs/dbraw/zinc/28/73/23/518287323.db2.gz MAOGWFFPZWTFQG-LJQANCHMSA-N 1 3 359.514 2.970 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4[nH]cnc43)CC2)CC1 ZINC000567059566 518332861 /nfs/dbraw/zinc/33/28/61/518332861.db2.gz AFVVKNUSDOFXJO-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000572749190 518342478 /nfs/dbraw/zinc/34/24/78/518342478.db2.gz DXHZJNPHZPSQAP-SJLPKXTDSA-N 1 3 370.497 2.663 20 0 FFADHO Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000575928258 518348329 /nfs/dbraw/zinc/34/83/29/518348329.db2.gz HBSDVCVYQBRRSQ-IBGZPJMESA-N 1 3 364.493 2.886 20 0 FFADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000584458330 518350699 /nfs/dbraw/zinc/35/06/99/518350699.db2.gz HPDIXDHEOMMMLO-UHFFFAOYSA-N 1 3 374.510 2.826 20 0 FFADHO Cn1c2ccccc2cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1=O ZINC000572801175 518365732 /nfs/dbraw/zinc/36/57/32/518365732.db2.gz ZWJDLNOAPOHVKZ-UHFFFAOYSA-N 1 3 369.509 2.615 20 0 FFADHO NC[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000581656872 518393174 /nfs/dbraw/zinc/39/31/74/518393174.db2.gz AHHCYCDPQHNCDH-SFTDATJTSA-N 1 3 366.509 2.871 20 0 FFADHO CN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C[NH+]1CCCC1 ZINC000572943176 518431862 /nfs/dbraw/zinc/43/18/62/518431862.db2.gz WQVUGXBKLVKJGM-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N2CCCC2)cc1 ZINC000584829236 518497523 /nfs/dbraw/zinc/49/75/23/518497523.db2.gz LVOXNDYYDBDBTA-PXNSSMCTSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@H](NC1CC1)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000564565654 518505273 /nfs/dbraw/zinc/50/52/73/518505273.db2.gz ZAHJBNIEXQPNGR-HNNXBMFYSA-N 1 3 358.486 2.580 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000564569291 518508250 /nfs/dbraw/zinc/50/82/50/518508250.db2.gz YBXVFVVKTCVJRS-UXHICEINSA-N 1 3 361.530 2.719 20 0 FFADHO CN(C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000579098831 518521497 /nfs/dbraw/zinc/52/14/97/518521497.db2.gz YRUIPYDQSCRHLU-PMACEKPBSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)c1ccc(OCCNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000567502341 518558266 /nfs/dbraw/zinc/55/82/66/518558266.db2.gz HXSYZWDBTNHBBO-PMACEKPBSA-N 1 3 373.541 2.627 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579233965 518585884 /nfs/dbraw/zinc/58/58/84/518585884.db2.gz CJBSEIVVENQUCZ-HOTGVXAUSA-N 1 3 355.482 2.956 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000570498935 518635626 /nfs/dbraw/zinc/63/56/26/518635626.db2.gz KDVLLHHKZTWBKR-DYVFJYSZSA-N 1 3 352.910 2.725 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000570498935 518635636 /nfs/dbraw/zinc/63/56/36/518635636.db2.gz KDVLLHHKZTWBKR-DYVFJYSZSA-N 1 3 352.910 2.725 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000576571500 518656994 /nfs/dbraw/zinc/65/69/94/518656994.db2.gz SFCFAQWKOJXBNB-UZLBHIALSA-N 1 3 368.525 2.679 20 0 FFADHO O=C(COc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000576576057 518659475 /nfs/dbraw/zinc/65/94/75/518659475.db2.gz DMLCETUYNRCFOB-OYNPSCLESA-N 1 3 371.525 2.567 20 0 FFADHO Cc1ccc(-c2noc(CN3CCN(C[C@@H]4CC[NH2+][C@H](C)C4)CC3)n2)cc1 ZINC000570615588 518694376 /nfs/dbraw/zinc/69/43/76/518694376.db2.gz FYCYVGMOMNCFEL-QZTJIDSGSA-N 1 3 369.513 2.551 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000564922280 518696940 /nfs/dbraw/zinc/69/69/40/518696940.db2.gz PZYZLGQITURUGN-LPHOPBHVSA-N 1 3 369.513 2.667 20 0 FFADHO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000576815347 518776606 /nfs/dbraw/zinc/77/66/06/518776606.db2.gz YBSHXJVBMSGWSU-VAMGGRTRSA-N 1 3 359.514 2.998 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@](C)(OC)CC3)CC2)CC1 ZINC000565200437 518841218 /nfs/dbraw/zinc/84/12/18/518841218.db2.gz RHVYIOSQLQHVRL-OAQYLSRUSA-N 1 3 365.562 2.600 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000570940959 518853978 /nfs/dbraw/zinc/85/39/78/518853978.db2.gz YHXMSQBUZBLRTB-DOTOQJQBSA-N 1 3 355.320 2.626 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000570940959 518853981 /nfs/dbraw/zinc/85/39/81/518853981.db2.gz YHXMSQBUZBLRTB-DOTOQJQBSA-N 1 3 355.320 2.626 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@](C)(OC)C3CC3)CC2)CC1 ZINC000577077163 518904327 /nfs/dbraw/zinc/90/43/27/518904327.db2.gz XUHBWEXYPCUQFP-IIBYNOLFSA-N 1 3 365.562 2.503 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(F)cc(F)c3)CC2)CC1 ZINC000577132224 518930156 /nfs/dbraw/zinc/93/01/56/518930156.db2.gz GDSCMYSEZYFXLY-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO CC1(C)C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C(C)(C)O1 ZINC000565409112 518940948 /nfs/dbraw/zinc/94/09/48/518940948.db2.gz OZBSIIAEVDPWOS-IBGZPJMESA-N 1 3 373.541 2.820 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000574044407 518960831 /nfs/dbraw/zinc/96/08/31/518960831.db2.gz DHQIORZNHGGVIQ-NRFANRHFSA-N 1 3 358.530 2.825 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000582878211 518964326 /nfs/dbraw/zinc/96/43/26/518964326.db2.gz LIUALIRGFNDGFB-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000582878211 518964333 /nfs/dbraw/zinc/96/43/33/518964333.db2.gz LIUALIRGFNDGFB-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000571179778 518966809 /nfs/dbraw/zinc/96/68/09/518966809.db2.gz AGFQCWVHWYKMQG-QUCCMNQESA-N 1 3 355.482 2.962 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C1 ZINC000568368929 519005205 /nfs/dbraw/zinc/00/52/05/519005205.db2.gz SNVSSKGENJCKLY-BAGYTPMASA-N 1 3 374.525 2.963 20 0 FFADHO [NH3+]CCC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000580190916 519054141 /nfs/dbraw/zinc/05/41/41/519054141.db2.gz XWVGXRFYVJEQKB-LEWJYISDSA-N 1 3 366.509 2.890 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000583141221 519097846 /nfs/dbraw/zinc/09/78/46/519097846.db2.gz KEMQVHOVRGHLFL-HOJAQTOUSA-N 1 3 359.514 2.856 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000580297014 519105486 /nfs/dbraw/zinc/10/54/86/519105486.db2.gz ZBDOLOPZIPUWIM-LJQANCHMSA-N 1 3 364.534 2.716 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c(C)c1OC ZINC000583167022 519108819 /nfs/dbraw/zinc/10/88/19/519108819.db2.gz KGXBMENVBLXLDE-RBUKOAKNSA-N 1 3 362.514 2.870 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000565765869 519121310 /nfs/dbraw/zinc/12/13/10/519121310.db2.gz QPMUKPJPUOTGAI-UZLBHIALSA-N 1 3 373.545 2.814 20 0 FFADHO Cc1cccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000577526036 519125465 /nfs/dbraw/zinc/12/54/65/519125465.db2.gz ZIIVHSKHWQEIPE-NQIIRXRSSA-N 1 3 353.510 2.935 20 0 FFADHO [NH3+]C[C@@H]1CN(Cc2ccc(OCc3cccnc3)cc2)CC12CCOCC2 ZINC000568628421 519138031 /nfs/dbraw/zinc/13/80/31/519138031.db2.gz RFYFQLBPLBFZBP-HXUWFJFHSA-N 1 3 367.493 2.848 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000565809265 519142132 /nfs/dbraw/zinc/14/21/32/519142132.db2.gz RCZHNOOZUABSIJ-HUUCEWRRSA-N 1 3 369.351 2.768 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3cccc4c3CC[NH2+]C4)cc2)CC1 ZINC000565891592 519184594 /nfs/dbraw/zinc/18/45/94/519184594.db2.gz SYNCWJHFPHXRNE-UHFFFAOYSA-N 1 3 364.493 2.727 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000571632762 519191292 /nfs/dbraw/zinc/19/12/92/519191292.db2.gz AOTMPHKETLBMSA-BEFAXECRSA-N 1 3 373.570 2.550 20 0 FFADHO C[C@H](c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1)C(F)(F)F ZINC000583424321 519238941 /nfs/dbraw/zinc/23/89/41/519238941.db2.gz GQTRACHSMMMKRN-CQSZACIVSA-N 1 3 359.436 2.918 20 0 FFADHO NC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CCCO1 ZINC000574624015 519248505 /nfs/dbraw/zinc/24/85/05/519248505.db2.gz BJNPQRXSUYLHML-SFHVURJKSA-N 1 3 353.466 2.732 20 0 FFADHO NC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CCCO1 ZINC000574624015 519248515 /nfs/dbraw/zinc/24/85/15/519248515.db2.gz BJNPQRXSUYLHML-SFHVURJKSA-N 1 3 353.466 2.732 20 0 FFADHO CC1CC[NH+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000571754012 519257701 /nfs/dbraw/zinc/25/77/01/519257701.db2.gz CNTJLOHYCTWVDO-UHFFFAOYSA-N 1 3 356.507 2.701 20 0 FFADHO COc1ccc(-c2ccncc2)cc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000568882728 519266220 /nfs/dbraw/zinc/26/62/20/519266220.db2.gz AUQNJZJTQLGOKU-FQEVSTJZSA-N 1 3 367.493 2.945 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000574665477 519268633 /nfs/dbraw/zinc/26/86/33/519268633.db2.gz AUORDIMIDPQMAL-IRXDYDNUSA-N 1 3 364.559 2.901 20 0 FFADHO Ic1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)s1 ZINC000590601694 519283320 /nfs/dbraw/zinc/28/33/20/519283320.db2.gz NNYDDHRSPNABOJ-JTQLQIEISA-N 1 3 362.280 2.927 20 0 FFADHO [NH3+][C@@H]1C[C@H](NCc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000566089262 519291021 /nfs/dbraw/zinc/29/10/21/519291021.db2.gz NZWMMILTQDVSRF-YADHBBJMSA-N 1 3 351.494 2.878 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)N(C)C)cc1 ZINC000574872648 519377724 /nfs/dbraw/zinc/37/77/24/519377724.db2.gz WARLKKAKJHWIJB-FYYLOGMGSA-N 1 3 365.521 2.899 20 0 FFADHO CN(Cc1c(F)cccc1Cl)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245386 519391311 /nfs/dbraw/zinc/39/13/11/519391311.db2.gz OUKHCWDXHREDSB-LSDHHAIUSA-N 1 3 367.896 2.759 20 0 FFADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCc2ccccc2C1 ZINC000580882445 519407637 /nfs/dbraw/zinc/40/76/37/519407637.db2.gz JGRPKCCDPDJZSQ-ZCNNSNEGSA-N 1 3 370.541 2.592 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccsc1 ZINC000578171233 519456467 /nfs/dbraw/zinc/45/64/67/519456467.db2.gz RWZUFDVEBYCYGT-MJGOQNOKSA-N 1 3 364.559 2.916 20 0 FFADHO COc1cccc(NC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)c1 ZINC000572124057 519456608 /nfs/dbraw/zinc/45/66/08/519456608.db2.gz GZWMXJNPBRRIPQ-VXKWHMMOSA-N 1 3 369.509 2.502 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[C@@H](c1ccccc1)N(C)C ZINC000583860182 519471159 /nfs/dbraw/zinc/47/11/59/519471159.db2.gz SQNFTASCEUXENP-NQYLQCIDSA-N 1 3 367.497 2.711 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000578226756 519484961 /nfs/dbraw/zinc/48/49/61/519484961.db2.gz XZPOWNXQKNQJIO-RBUKOAKNSA-N 1 3 358.530 2.586 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000569334061 519498198 /nfs/dbraw/zinc/49/81/98/519498198.db2.gz VYMXVUXBUGXLBR-SJLPKXTDSA-N 1 3 362.543 2.740 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000591099607 519512023 /nfs/dbraw/zinc/51/20/23/519512023.db2.gz VAMQSFBRWCVUDC-ROUUACIJSA-N 1 3 371.525 2.906 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000591099607 519512032 /nfs/dbraw/zinc/51/20/32/519512032.db2.gz VAMQSFBRWCVUDC-ROUUACIJSA-N 1 3 371.525 2.906 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000591102067 519512750 /nfs/dbraw/zinc/51/27/50/519512750.db2.gz YBBMQLXHVYMGLI-MSOLQXFVSA-N 1 3 359.514 2.621 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000591102067 519512760 /nfs/dbraw/zinc/51/27/60/519512760.db2.gz YBBMQLXHVYMGLI-MSOLQXFVSA-N 1 3 359.514 2.621 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000578316303 519531406 /nfs/dbraw/zinc/53/14/06/519531406.db2.gz VYUWZFFLMCOGPO-MRXNPFEDSA-N 1 3 356.507 2.844 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000578316303 519531413 /nfs/dbraw/zinc/53/14/13/519531413.db2.gz VYUWZFFLMCOGPO-MRXNPFEDSA-N 1 3 356.507 2.844 20 0 FFADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000566559544 519551187 /nfs/dbraw/zinc/55/11/87/519551187.db2.gz ITPPFABTBDWFRK-SIKLNZKXSA-N 1 3 371.525 2.557 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@@H]21 ZINC000578359616 519554109 /nfs/dbraw/zinc/55/41/09/519554109.db2.gz IXFBUWKGCWVIFX-VJUNAUMWSA-N 1 3 367.415 2.870 20 0 FFADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000569471882 519568767 /nfs/dbraw/zinc/56/87/67/519568767.db2.gz IPGGJBKMVNBWRZ-LEWJYISDSA-N 1 3 351.494 2.618 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@H+](C)C3CCCC3)cc2)CC1 ZINC000591321797 519590503 /nfs/dbraw/zinc/59/05/03/519590503.db2.gz YKBPUAJOYRYREM-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@@H+](C)C3CCCC3)cc2)CC1 ZINC000591321797 519590508 /nfs/dbraw/zinc/59/05/08/519590508.db2.gz YKBPUAJOYRYREM-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCN1C ZINC000591443122 519626467 /nfs/dbraw/zinc/62/64/67/519626467.db2.gz HFLXIABTELDWMG-ROUUACIJSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCN1C ZINC000591443122 519626469 /nfs/dbraw/zinc/62/64/69/519626469.db2.gz HFLXIABTELDWMG-ROUUACIJSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCN1C ZINC000608704387 520091224 /nfs/dbraw/zinc/09/12/24/520091224.db2.gz SYYXYGYFWAKJEQ-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000594975660 520238636 /nfs/dbraw/zinc/23/86/36/520238636.db2.gz AAWFMHARFOVJJC-NUJGCVRESA-N 1 3 350.551 2.526 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000612963026 520242418 /nfs/dbraw/zinc/24/24/18/520242418.db2.gz LJZPNHLBWZQOMT-HZPDHXFCSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973362 520249874 /nfs/dbraw/zinc/24/98/74/520249874.db2.gz ZQTVYUDPTBZIHL-LPHOPBHVSA-N 1 3 356.514 2.653 20 0 FFADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000595031758 520261441 /nfs/dbraw/zinc/26/14/41/520261441.db2.gz CRBUWTJCMCKONY-APWZRJJASA-N 1 3 362.514 2.711 20 0 FFADHO COC(=O)c1coc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000595049742 520270927 /nfs/dbraw/zinc/27/09/27/520270927.db2.gz NZQBUSYJRJYZHB-AWEZNQCLSA-N 1 3 350.459 2.608 20 0 FFADHO C[C@](CO)(NC/C=C\C[NH2+][C@](C)(CO)c1ccccc1)c1ccccc1 ZINC000600645450 520373152 /nfs/dbraw/zinc/37/31/52/520373152.db2.gz LRHWTRRTRDAWRC-LUCICDSHSA-N 1 3 354.494 2.537 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1cccc(Cl)c1 ZINC000603863302 520383847 /nfs/dbraw/zinc/38/38/47/520383847.db2.gz CAESRYGUWMNJFC-GOSISDBHSA-N 1 3 366.937 2.626 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1cccc(Cl)c1 ZINC000603863302 520383852 /nfs/dbraw/zinc/38/38/52/520383852.db2.gz CAESRYGUWMNJFC-GOSISDBHSA-N 1 3 366.937 2.626 20 0 FFADHO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505918 520540943 /nfs/dbraw/zinc/54/09/43/520540943.db2.gz VLHKCKFKNGMJHD-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505918 520540948 /nfs/dbraw/zinc/54/09/48/520540948.db2.gz VLHKCKFKNGMJHD-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000617504932 520542560 /nfs/dbraw/zinc/54/25/60/520542560.db2.gz PUJYVKJSACELFI-LBPRGKRZSA-N 1 3 368.884 2.962 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000617504932 520542565 /nfs/dbraw/zinc/54/25/65/520542565.db2.gz PUJYVKJSACELFI-LBPRGKRZSA-N 1 3 368.884 2.962 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000613664904 520611791 /nfs/dbraw/zinc/61/17/91/520611791.db2.gz IOEGLDHLFXXOHK-KZNAEPCWSA-N 1 3 365.468 2.743 20 0 FFADHO CSC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C)CC1 ZINC000595636233 520614007 /nfs/dbraw/zinc/61/40/07/520614007.db2.gz QKXGNEICRFJNOL-MRXNPFEDSA-N 1 3 368.591 2.520 20 0 FFADHO CSC1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN(C)CC1 ZINC000595636233 520614010 /nfs/dbraw/zinc/61/40/10/520614010.db2.gz QKXGNEICRFJNOL-MRXNPFEDSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000604644083 520627652 /nfs/dbraw/zinc/62/76/52/520627652.db2.gz REZRWZFBZRGNKP-HBFSDRIKSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000604644083 520627658 /nfs/dbraw/zinc/62/76/58/520627658.db2.gz REZRWZFBZRGNKP-HBFSDRIKSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592959265 520661503 /nfs/dbraw/zinc/66/15/03/520661503.db2.gz RAVZNXPBICJPBQ-DOTOQJQBSA-N 1 3 369.513 2.578 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000601207860 520686246 /nfs/dbraw/zinc/68/62/46/520686246.db2.gz LMPISXZXNCPVPU-PMACEKPBSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000595901278 520806999 /nfs/dbraw/zinc/80/69/99/520806999.db2.gz URRPTHBQYPPIJG-GOSISDBHSA-N 1 3 372.513 2.663 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000606622219 521110130 /nfs/dbraw/zinc/11/01/30/521110130.db2.gz ZUHRULDKDRUFSL-JXFKEZNVSA-N 1 3 360.546 2.881 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000606644305 521122523 /nfs/dbraw/zinc/12/25/23/521122523.db2.gz GFPDWFYNHWIJHE-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000606644305 521122531 /nfs/dbraw/zinc/12/25/31/521122531.db2.gz GFPDWFYNHWIJHE-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000606700740 521141154 /nfs/dbraw/zinc/14/11/54/521141154.db2.gz PJQDPXWOKHRKJP-SFHVURJKSA-N 1 3 360.546 2.799 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000618987788 521335945 /nfs/dbraw/zinc/33/59/45/521335945.db2.gz UKACOZHRZKFUNU-SFHVURJKSA-N 1 3 358.530 2.843 20 0 FFADHO CCN(CCC(F)(F)F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000623157332 521806591 /nfs/dbraw/zinc/80/65/91/521806591.db2.gz ZRIFLXDUYFCYGA-UHFFFAOYSA-N 1 3 364.456 2.529 20 0 FFADHO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCS(=O)(=O)CC2)CN1Cc1ccccc1 ZINC000634973157 521846256 /nfs/dbraw/zinc/84/62/56/521846256.db2.gz SGXRQRKNPJSARA-HOJAQTOUSA-N 1 3 364.555 2.844 20 0 FFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000635008296 521865800 /nfs/dbraw/zinc/86/58/00/521865800.db2.gz IQVPSNWRAYTZNL-AWEZNQCLSA-N 1 3 365.481 2.894 20 0 FFADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cccc2c1CC[NH2+]C2 ZINC000635009753 521865958 /nfs/dbraw/zinc/86/59/58/521865958.db2.gz KHWFPDWAZOGBFQ-HSZRJFAPSA-N 1 3 365.521 2.804 20 0 FFADHO COc1ccccc1NC(=O)C[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635012572 521867520 /nfs/dbraw/zinc/86/75/20/521867520.db2.gz WORVODMKPVVILF-HNNXBMFYSA-N 1 3 353.466 2.848 20 0 FFADHO FC(F)(F)c1ccn(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000635014307 521867787 /nfs/dbraw/zinc/86/77/87/521867787.db2.gz PDDDEHMFZSZBTM-RHSMWYFYSA-N 1 3 366.387 2.747 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N2CCOCC2)cc1 ZINC000623338179 521948149 /nfs/dbraw/zinc/94/81/49/521948149.db2.gz OBRJZAZCEOZXQF-QUCCMNQESA-N 1 3 361.530 2.531 20 0 FFADHO CN(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000623370461 521967998 /nfs/dbraw/zinc/96/79/98/521967998.db2.gz LODKRKFQPJWNKH-QZTJIDSGSA-N 1 3 357.523 2.642 20 0 FFADHO CN(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000623370461 521968011 /nfs/dbraw/zinc/96/80/11/521968011.db2.gz LODKRKFQPJWNKH-QZTJIDSGSA-N 1 3 357.523 2.642 20 0 FFADHO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623376374 521975007 /nfs/dbraw/zinc/97/50/07/521975007.db2.gz QOZRNBLDOZHGDR-QGZVFWFLSA-N 1 3 367.559 2.678 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000623409126 522000073 /nfs/dbraw/zinc/00/00/73/522000073.db2.gz QQDZPOOFXLPTHW-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000623409126 522000084 /nfs/dbraw/zinc/00/00/84/522000084.db2.gz QQDZPOOFXLPTHW-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000623465240 522043190 /nfs/dbraw/zinc/04/31/90/522043190.db2.gz HPXAGZCSIZGXEG-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000626286080 522076303 /nfs/dbraw/zinc/07/63/03/522076303.db2.gz OFMUKJIMNHETEU-CLAROIROSA-N 1 3 363.505 2.893 20 0 FFADHO CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000626286080 522076312 /nfs/dbraw/zinc/07/63/12/522076312.db2.gz OFMUKJIMNHETEU-CLAROIROSA-N 1 3 363.505 2.893 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000623644576 522187776 /nfs/dbraw/zinc/18/77/76/522187776.db2.gz NFDQDMMXWGXVON-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO O[C@@H](CNCC1(c2cccc(Br)c2)CCC1)C[NH+]1CCCC1 ZINC000629557954 522312798 /nfs/dbraw/zinc/31/27/98/522312798.db2.gz LHYWXWJLHOAHND-KRWDZBQOSA-N 1 3 367.331 2.917 20 0 FFADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Sc1ccc(Br)cc1 ZINC000629566449 522321275 /nfs/dbraw/zinc/32/12/75/522321275.db2.gz ZIHNYCDBSQANBC-HIFRSBDPSA-N 1 3 373.360 2.976 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623890168 522349944 /nfs/dbraw/zinc/34/99/44/522349944.db2.gz DTDZGLIDBZMBSQ-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623890168 522349956 /nfs/dbraw/zinc/34/99/56/522349956.db2.gz DTDZGLIDBZMBSQ-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892933 522352122 /nfs/dbraw/zinc/35/21/22/522352122.db2.gz AGJGKQWNICKIRH-PKOBYXMFSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892933 522352133 /nfs/dbraw/zinc/35/21/33/522352133.db2.gz AGJGKQWNICKIRH-PKOBYXMFSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892933 522352139 /nfs/dbraw/zinc/35/21/39/522352139.db2.gz AGJGKQWNICKIRH-PKOBYXMFSA-N 1 3 367.541 2.906 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000632908318 522381146 /nfs/dbraw/zinc/38/11/46/522381146.db2.gz HGCCIVDOHOTGOR-GOSISDBHSA-N 1 3 373.545 2.872 20 0 FFADHO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000624026142 522429114 /nfs/dbraw/zinc/42/91/14/522429114.db2.gz SNORBRLGDYOOIE-FQEVSTJZSA-N 1 3 358.530 2.676 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635723691 522480721 /nfs/dbraw/zinc/48/07/21/522480721.db2.gz DGHKJJUORIQILO-KRWDZBQOSA-N 1 3 356.514 2.599 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000633092773 522523193 /nfs/dbraw/zinc/52/31/93/522523193.db2.gz LVESQNBHAIHPIH-UMGGQSCQSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000633092773 522523202 /nfs/dbraw/zinc/52/32/02/522523202.db2.gz LVESQNBHAIHPIH-UMGGQSCQSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000626955273 522553184 /nfs/dbraw/zinc/55/31/84/522553184.db2.gz ZHPQWOLMZZZLLJ-ILWGZMRPSA-N 1 3 370.541 2.540 20 0 FFADHO C[NH2+]C1(CNC(=O)c2ccccc2OCCN2CCCC[C@H]2C)CCC1 ZINC000630001230 522577664 /nfs/dbraw/zinc/57/76/64/522577664.db2.gz YGTIERPHSANXIZ-QGZVFWFLSA-N 1 3 359.514 2.812 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627015500 522591606 /nfs/dbraw/zinc/59/16/06/522591606.db2.gz SFGFICYLOFBWIO-ILWGZMRPSA-N 1 3 372.557 2.784 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000627165891 522690119 /nfs/dbraw/zinc/69/01/19/522690119.db2.gz JPQSLMOLBCOTGO-VWPQPMDRSA-N 1 3 370.541 2.825 20 0 FFADHO COc1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000621641116 522992005 /nfs/dbraw/zinc/99/20/05/522992005.db2.gz ADOPHJCZVUOJNB-FXAWDEMLSA-N 1 3 359.514 2.728 20 0 FFADHO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000621649856 522996678 /nfs/dbraw/zinc/99/66/78/522996678.db2.gz PXBYVDLTWNXPME-SFHVURJKSA-N 1 3 370.541 2.937 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000636471182 523002965 /nfs/dbraw/zinc/00/29/65/523002965.db2.gz AOSRNOGJWPZQKF-FQEVSTJZSA-N 1 3 372.557 2.819 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c2ccccc21 ZINC000621756769 523060775 /nfs/dbraw/zinc/06/07/75/523060775.db2.gz TYPNGMOJURWOSX-NNWRFLSQSA-N 1 3 371.525 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC[N@@H+]1C ZINC000630844029 523182882 /nfs/dbraw/zinc/18/28/82/523182882.db2.gz YQQWALYFEPERIW-LEWJYISDSA-N 1 3 355.526 2.766 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC[N@H+]1C ZINC000630844029 523182896 /nfs/dbraw/zinc/18/28/96/523182896.db2.gz YQQWALYFEPERIW-LEWJYISDSA-N 1 3 355.526 2.766 20 0 FFADHO c1cc(OCCN2CCOCC2)ccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000631054803 523339051 /nfs/dbraw/zinc/33/90/51/523339051.db2.gz WATNUWZRHUEQAL-UHFFFAOYSA-N 1 3 373.541 2.504 20 0 FFADHO CCN1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000625394448 523403836 /nfs/dbraw/zinc/40/38/36/523403836.db2.gz UOLGBRKBSSBDME-LEWJYISDSA-N 1 3 355.526 2.699 20 0 FFADHO CCN1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000625394448 523403844 /nfs/dbraw/zinc/40/38/44/523403844.db2.gz UOLGBRKBSSBDME-LEWJYISDSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC000625466191 523461885 /nfs/dbraw/zinc/46/18/85/523461885.db2.gz OWEIOTBUAAVDGU-BVYCBKJFSA-N 1 3 365.521 2.969 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC000625466191 523461889 /nfs/dbraw/zinc/46/18/89/523461889.db2.gz OWEIOTBUAAVDGU-BVYCBKJFSA-N 1 3 365.521 2.969 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[NH2+]C1CC1 ZINC000637330095 523560409 /nfs/dbraw/zinc/56/04/09/523560409.db2.gz SMEXBLVFRBLGGP-UHFFFAOYSA-N 1 3 372.435 2.531 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000628544014 523597943 /nfs/dbraw/zinc/59/79/43/523597943.db2.gz ZTMGLIHLILYWPY-OALUTQOASA-N 1 3 365.587 2.727 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000637485836 523661822 /nfs/dbraw/zinc/66/18/22/523661822.db2.gz KRIGKFUHIGEDNX-PMACEKPBSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000820076612 607484564 /nfs/dbraw/zinc/48/45/64/607484564.db2.gz OYQHVBDFYWTOHZ-UHFFFAOYSA-N 1 3 360.481 2.854 20 0 FFADHO CC(C)[N@H+](C)CC1CC[NH+](CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820111995 606893504 /nfs/dbraw/zinc/89/35/04/606893504.db2.gz HJNBGNYFQQJEJI-UHFFFAOYSA-N 1 3 372.517 2.688 20 0 FFADHO CC(C)[N@@H+](C)CC1CC[NH+](CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820111995 606893506 /nfs/dbraw/zinc/89/35/06/606893506.db2.gz HJNBGNYFQQJEJI-UHFFFAOYSA-N 1 3 372.517 2.688 20 0 FFADHO CC(C)[N@H+](C)CC1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820111995 606893508 /nfs/dbraw/zinc/89/35/08/606893508.db2.gz HJNBGNYFQQJEJI-UHFFFAOYSA-N 1 3 372.517 2.688 20 0 FFADHO CC(C)[N@@H+](C)CC1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820111995 606893509 /nfs/dbraw/zinc/89/35/09/606893509.db2.gz HJNBGNYFQQJEJI-UHFFFAOYSA-N 1 3 372.517 2.688 20 0 FFADHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000825281574 608354484 /nfs/dbraw/zinc/35/44/84/608354484.db2.gz GIFLEWBYIXEASL-UHFFFAOYSA-N 1 3 372.517 2.819 20 0 FFADHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000825281574 608354485 /nfs/dbraw/zinc/35/44/85/608354485.db2.gz GIFLEWBYIXEASL-UHFFFAOYSA-N 1 3 372.517 2.819 20 0 FFADHO Cc1cc2[nH]ccc2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)[nH+]1 ZINC001164771741 721148687 /nfs/dbraw/zinc/14/86/87/721148687.db2.gz SUFKBWMQIUWXFU-SJORKVTESA-N 1 3 350.470 2.563 20 0 FFADHO CN(C)Cc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910389 721560248 /nfs/dbraw/zinc/56/02/48/721560248.db2.gz WPUPEQCJRVNFJF-UYAOXDASSA-N 1 3 370.472 2.624 20 0 FFADHO CN(C)Cc1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910389 721560252 /nfs/dbraw/zinc/56/02/52/721560252.db2.gz WPUPEQCJRVNFJF-UYAOXDASSA-N 1 3 370.472 2.624 20 0 FFADHO CC[NH+](CC)CCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063142888 728134197 /nfs/dbraw/zinc/13/41/97/728134197.db2.gz XBQFPMKONGUZKL-UHFFFAOYSA-N 1 3 362.587 2.847 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)c2cccs2)CC1 ZINC000195122164 729530062 /nfs/dbraw/zinc/53/00/62/729530062.db2.gz RDKYWQKHPVNAKD-SJORKVTESA-N 1 3 364.559 2.915 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)c2cccs2)CC1 ZINC000195122164 729530063 /nfs/dbraw/zinc/53/00/63/729530063.db2.gz RDKYWQKHPVNAKD-SJORKVTESA-N 1 3 364.559 2.915 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262065919 729658311 /nfs/dbraw/zinc/65/83/11/729658311.db2.gz ROJYFFGBMSGCNA-INIZCTEOSA-N 1 3 357.420 2.833 20 0 FFADHO CC1CC[NH+](C2CCC(NCc3ccc(S(N)(=O)=O)s3)CC2)CC1 ZINC000638776458 730043760 /nfs/dbraw/zinc/04/37/60/730043760.db2.gz POLIUFHWXOJARB-UHFFFAOYSA-N 1 3 371.572 2.528 20 0 FFADHO CC(C)([NH3+])CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000641816790 730253468 /nfs/dbraw/zinc/25/34/68/730253468.db2.gz ZKMJUFWHRGOWEE-UHFFFAOYSA-N 1 3 350.532 2.527 20 0 FFADHO CC[NH+]1CCC(NCCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000644513432 730477659 /nfs/dbraw/zinc/47/76/59/730477659.db2.gz AEFICICAZAPDAC-UHFFFAOYSA-N 1 3 369.893 2.760 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000644588689 730484910 /nfs/dbraw/zinc/48/49/10/730484910.db2.gz GMARKGRZEPGXMD-AEFFLSMTSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000644588689 730484912 /nfs/dbraw/zinc/48/49/12/730484912.db2.gz GMARKGRZEPGXMD-AEFFLSMTSA-N 1 3 354.922 2.785 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)[C@@H]1CC[N@H+](C)C1 ZINC000645499840 730564028 /nfs/dbraw/zinc/56/40/28/730564028.db2.gz DWZJMLILWDHIFS-BBWFWOEESA-N 1 3 350.507 2.835 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)[C@@H]1CC[N@@H+](C)C1 ZINC000645499840 730564032 /nfs/dbraw/zinc/56/40/32/730564032.db2.gz DWZJMLILWDHIFS-BBWFWOEESA-N 1 3 350.507 2.835 20 0 FFADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862274472 730684735 /nfs/dbraw/zinc/68/47/35/730684735.db2.gz OPLAVXKUVMENGX-HUUCEWRRSA-N 1 3 361.477 2.953 20 0 FFADHO C[C@@H]([NH3+])C[C@@H](C)NCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000647552408 730749713 /nfs/dbraw/zinc/74/97/13/730749713.db2.gz ZBIKKTNBDRZJOC-HUUCEWRRSA-N 1 3 360.527 2.862 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000647937288 730775883 /nfs/dbraw/zinc/77/58/83/730775883.db2.gz VDEHFUMERPCQBJ-IUODEOHRSA-N 1 3 354.292 2.837 20 0 FFADHO COCC[C@H](CNC1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000865419049 730952617 /nfs/dbraw/zinc/95/26/17/730952617.db2.gz MXUSIIHHLRRINU-MRXNPFEDSA-N 1 3 357.539 2.769 20 0 FFADHO COCC[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000865419049 730952619 /nfs/dbraw/zinc/95/26/19/730952619.db2.gz MXUSIIHHLRRINU-MRXNPFEDSA-N 1 3 357.539 2.769 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000650707331 731021816 /nfs/dbraw/zinc/02/18/16/731021816.db2.gz CWXJJOASPFDRNK-INMHGKMJSA-N 1 3 360.527 2.992 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2c(ccnc2Cl)o1 ZINC000866259720 731044520 /nfs/dbraw/zinc/04/45/20/731044520.db2.gz FTRWQOPLFRKCSO-CHWSQXEVSA-N 1 3 364.877 2.719 20 0 FFADHO COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000868816879 731334142 /nfs/dbraw/zinc/33/41/42/731334142.db2.gz ADIKMOCMMPMTMS-LJQANCHMSA-N 1 3 351.466 2.908 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Cl)o3)CC2)CC1 ZINC000654482253 731365938 /nfs/dbraw/zinc/36/59/38/731365938.db2.gz FEQGYOWFFVYXMK-UHFFFAOYSA-N 1 3 353.894 2.746 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCC(F)CC3)CC2)CC1 ZINC000655158619 731433304 /nfs/dbraw/zinc/43/33/04/731433304.db2.gz GUPNZCKPTIOFJG-UHFFFAOYSA-N 1 3 353.526 2.827 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446405 731458326 /nfs/dbraw/zinc/45/83/26/731458326.db2.gz SEQWPZASHKALIJ-AZUAARDMSA-N 1 3 359.539 2.606 20 0 FFADHO C[C@@]1(CNC2CC[NH+](C[C@H]3CCCO3)CC2)OCCc2sccc21 ZINC000655768313 731506919 /nfs/dbraw/zinc/50/69/19/731506919.db2.gz VKCMWTHDCTUNBC-APWZRJJASA-N 1 3 350.528 2.769 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CCCS3)CC2)CC1 ZINC000871038275 731588410 /nfs/dbraw/zinc/58/84/10/731588410.db2.gz YXBDHQQJULCDOX-GOSISDBHSA-N 1 3 353.576 2.585 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925834297 738534644 /nfs/dbraw/zinc/53/46/44/738534644.db2.gz MQASEHWBWVTJIQ-KSZLIROESA-N 1 3 350.528 2.533 20 0 FFADHO CC(C)[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)ccc1F ZINC000925852429 738536914 /nfs/dbraw/zinc/53/69/14/738536914.db2.gz URKRZQDKTQVRMM-RHSMWYFYSA-N 1 3 352.425 2.937 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657919419 731829959 /nfs/dbraw/zinc/82/99/59/731829959.db2.gz RWIGEKDQOQJIAO-LJQANCHMSA-N 1 3 361.555 2.888 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000659498028 731982627 /nfs/dbraw/zinc/98/26/27/731982627.db2.gz PUYCBNZNZSNELP-SJORKVTESA-N 1 3 352.548 2.684 20 0 FFADHO CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660662118 732131435 /nfs/dbraw/zinc/13/14/35/732131435.db2.gz IFPKHLQCZQOPQU-APWZRJJASA-N 1 3 350.528 2.566 20 0 FFADHO CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660662118 732131436 /nfs/dbraw/zinc/13/14/36/732131436.db2.gz IFPKHLQCZQOPQU-APWZRJJASA-N 1 3 350.528 2.566 20 0 FFADHO C[C@H](O)[C@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)ccc1F ZINC000661768205 732238578 /nfs/dbraw/zinc/23/85/78/732238578.db2.gz UUQINZXKNIEPRB-IQGAEYHTSA-N 1 3 350.478 2.516 20 0 FFADHO C[C@H](O)[C@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)ccc1F ZINC000661768205 732238581 /nfs/dbraw/zinc/23/85/81/732238581.db2.gz UUQINZXKNIEPRB-IQGAEYHTSA-N 1 3 350.478 2.516 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc(Cl)n1 ZINC000877426887 732359964 /nfs/dbraw/zinc/35/99/64/732359964.db2.gz SIGWPVBPJQNKII-CZUORRHYSA-N 1 3 358.873 2.913 20 0 FFADHO CCN(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCN(C)C1 ZINC000663875085 732507837 /nfs/dbraw/zinc/50/78/37/732507837.db2.gz QTEKQWZQEHHYJC-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCN(C)C1 ZINC000663875085 732507839 /nfs/dbraw/zinc/50/78/39/732507839.db2.gz QTEKQWZQEHHYJC-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000664971032 732654547 /nfs/dbraw/zinc/65/45/47/732654547.db2.gz PNSXYVJJXUYNOG-SJLPKXTDSA-N 1 3 364.559 2.795 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000664971032 732654549 /nfs/dbraw/zinc/65/45/49/732654549.db2.gz PNSXYVJJXUYNOG-SJLPKXTDSA-N 1 3 364.559 2.795 20 0 FFADHO Cc1nc(C(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc1C ZINC000665758911 732752489 /nfs/dbraw/zinc/75/24/89/732752489.db2.gz SXNUOENPWOSSOI-ZDUSSCGKSA-N 1 3 369.579 2.566 20 0 FFADHO Cc1nc(C(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc1C ZINC000665758911 732752494 /nfs/dbraw/zinc/75/24/94/732752494.db2.gz SXNUOENPWOSSOI-ZDUSSCGKSA-N 1 3 369.579 2.566 20 0 FFADHO CC(C)n1cc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000889564296 734192955 /nfs/dbraw/zinc/19/29/55/734192955.db2.gz RPEUYEDWMJVJKN-ZDUSSCGKSA-N 1 3 358.918 2.511 20 0 FFADHO CC(C)n1cc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000889564296 734192957 /nfs/dbraw/zinc/19/29/57/734192957.db2.gz RPEUYEDWMJVJKN-ZDUSSCGKSA-N 1 3 358.918 2.511 20 0 FFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cn1 ZINC000684553745 734246347 /nfs/dbraw/zinc/24/63/47/734246347.db2.gz UDFVKICGVNDTID-UKRRQHHQSA-N 1 3 367.335 2.663 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)c1ccccc1 ZINC000725718545 734388176 /nfs/dbraw/zinc/38/81/76/734388176.db2.gz WUMQFHCHWXBRJB-QGZVFWFLSA-N 1 3 353.457 2.653 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[NH2+]CCC12CCC2 ZINC000891322656 734414344 /nfs/dbraw/zinc/41/43/44/734414344.db2.gz SIJOGWVRZYSVSE-INIZCTEOSA-N 1 3 362.543 2.813 20 0 FFADHO Cc1ccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000726239006 734415202 /nfs/dbraw/zinc/41/52/02/734415202.db2.gz HQMSBOQRNDSDNY-OAHLLOKOSA-N 1 3 364.559 2.975 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000891543199 734443621 /nfs/dbraw/zinc/44/36/21/734443621.db2.gz QSYWMBNWNRIBCR-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891543199 734443624 /nfs/dbraw/zinc/44/36/24/734443624.db2.gz QSYWMBNWNRIBCR-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)N(C)C)cc1 ZINC000891922336 734495178 /nfs/dbraw/zinc/49/51/78/734495178.db2.gz JRPCWBHRYJGVPI-QGPMSJSTSA-N 1 3 364.559 2.828 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897557032 735247320 /nfs/dbraw/zinc/24/73/20/735247320.db2.gz CZIPLDCONATRSQ-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897557032 735247323 /nfs/dbraw/zinc/24/73/23/735247323.db2.gz CZIPLDCONATRSQ-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO O=S(=O)(CCN1C[C@@H]2CCCC[C@H]2C1)CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000750061987 735768761 /nfs/dbraw/zinc/76/87/61/735768761.db2.gz LPPADXKCXBDAFY-MUGJNUQGSA-N 1 3 368.587 2.645 20 0 FFADHO CCOC(=O)N1CC[C@@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374233 735939092 /nfs/dbraw/zinc/93/90/92/735939092.db2.gz KPHJJDPSPVJOIT-RHSMWYFYSA-N 1 3 355.429 2.955 20 0 FFADHO CS(=O)(=O)CC1(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)CCC1 ZINC000902391117 735941229 /nfs/dbraw/zinc/94/12/29/735941229.db2.gz UPZSCPIMQSJKIW-KRWDZBQOSA-N 1 3 374.497 2.939 20 0 FFADHO N[C@@H]1C[C@@H]([NH2+]CC2(OCCO)CCC(C(F)F)CC2)c2ccccc21 ZINC000902434155 735946202 /nfs/dbraw/zinc/94/62/02/735946202.db2.gz MGBYQZCHADOWBS-DONOWJBHSA-N 1 3 354.441 2.924 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@H](C)C1 ZINC000903312575 736074068 /nfs/dbraw/zinc/07/40/68/736074068.db2.gz ZXINTGGBIZVDRA-UXPWSPDFSA-N 1 3 352.494 2.760 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@H](C)C1 ZINC000903312575 736074074 /nfs/dbraw/zinc/07/40/74/736074074.db2.gz ZXINTGGBIZVDRA-UXPWSPDFSA-N 1 3 352.494 2.760 20 0 FFADHO COc1ccc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)c(Br)c1OC ZINC000903497419 736102538 /nfs/dbraw/zinc/10/25/38/736102538.db2.gz WEFMYZWNELEBQJ-VXGBXAGGSA-N 1 3 357.292 2.883 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903766589 736164611 /nfs/dbraw/zinc/16/46/11/736164611.db2.gz ARQIJFCSLZMLRP-YXMSTPNBSA-N 1 3 350.425 2.847 20 0 FFADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921550 736188859 /nfs/dbraw/zinc/18/88/59/736188859.db2.gz OZQOLRUCXZEEQT-WTANOLMUSA-N 1 3 364.921 2.865 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967509 736196395 /nfs/dbraw/zinc/19/63/95/736196395.db2.gz KBANRACZLJLJFF-UPJWGTAASA-N 1 3 354.292 2.611 20 0 FFADHO C[NH+](C)CCOc1cccc(-c2nc(C(F)(F)F)n3c2CNCC3)c1 ZINC000904750408 736273336 /nfs/dbraw/zinc/27/33/36/736273336.db2.gz DTDAHOKITZRRKR-UHFFFAOYSA-N 1 3 354.376 2.613 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc([C@H]3CCCO3)s1)C2 ZINC000922389865 738136039 /nfs/dbraw/zinc/13/60/39/738136039.db2.gz XXYQUGXKTSILHW-ZQOJQMTGSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc([C@H]3CCCO3)s1)C2 ZINC000922389865 738136042 /nfs/dbraw/zinc/13/60/42/738136042.db2.gz XXYQUGXKTSILHW-ZQOJQMTGSA-N 1 3 365.543 2.564 20 0 FFADHO CCN(CC)c1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922389777 738136090 /nfs/dbraw/zinc/13/60/90/738136090.db2.gz WNBCTSQWZBZFKH-VXNCWWDNSA-N 1 3 366.575 2.559 20 0 FFADHO CCN(CC)c1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922389777 738136093 /nfs/dbraw/zinc/13/60/93/738136093.db2.gz WNBCTSQWZBZFKH-VXNCWWDNSA-N 1 3 366.575 2.559 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc([C@H]3CCCO3)s1)C2 ZINC000922389864 738136103 /nfs/dbraw/zinc/13/61/03/738136103.db2.gz XXYQUGXKTSILHW-RXYDEIHYSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc([C@H]3CCCO3)s1)C2 ZINC000922389864 738136106 /nfs/dbraw/zinc/13/61/06/738136106.db2.gz XXYQUGXKTSILHW-RXYDEIHYSA-N 1 3 365.543 2.564 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(Cl)c3N)C2)[C@H]1C(C)C ZINC000922395244 738137513 /nfs/dbraw/zinc/13/75/13/738137513.db2.gz RQMRRESDNZYFLG-PSBWJHGTSA-N 1 3 351.922 2.882 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(Cl)c3N)C2)[C@H]1C(C)C ZINC000922395244 738137514 /nfs/dbraw/zinc/13/75/14/738137514.db2.gz RQMRRESDNZYFLG-PSBWJHGTSA-N 1 3 351.922 2.882 20 0 FFADHO O[C@H](CN(Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccsc1 ZINC000923318613 738270416 /nfs/dbraw/zinc/27/04/16/738270416.db2.gz NCYAYBCXQFRSJI-RBUKOAKNSA-N 1 3 358.507 2.662 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923393053 738278715 /nfs/dbraw/zinc/27/87/15/738278715.db2.gz MVPLIDJQICSZDA-QCSYZSNVSA-N 1 3 356.869 2.873 20 0 FFADHO Cc1csc(C[C@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000933130160 739574123 /nfs/dbraw/zinc/57/41/23/739574123.db2.gz PXBTUHVHSIYVDL-GOSISDBHSA-N 1 3 350.576 2.732 20 0 FFADHO Cc1csc(C[C@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000933130160 739574125 /nfs/dbraw/zinc/57/41/25/739574125.db2.gz PXBTUHVHSIYVDL-GOSISDBHSA-N 1 3 350.576 2.732 20 0 FFADHO CN(C)C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802720743 740720361 /nfs/dbraw/zinc/72/03/61/740720361.db2.gz MEHMACIQGAIEDX-MRXNPFEDSA-N 1 3 370.994 2.995 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000810208778 741398075 /nfs/dbraw/zinc/39/80/75/741398075.db2.gz GAWSSSYHQUOSQB-KBPBESRZSA-N 1 3 355.324 2.521 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001007376064 742329697 /nfs/dbraw/zinc/32/96/97/742329697.db2.gz HCHBFHMSSWMZJM-AYOQOUSVSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001007376064 742329704 /nfs/dbraw/zinc/32/97/04/742329704.db2.gz HCHBFHMSSWMZJM-AYOQOUSVSA-N 1 3 363.933 2.803 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000819175066 742348048 /nfs/dbraw/zinc/34/80/48/742348048.db2.gz SWCGSZFGFFTLDK-OKZBNKHCSA-N 1 3 373.324 2.994 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000819174698 742348101 /nfs/dbraw/zinc/34/81/01/742348101.db2.gz QUIGNXVPBLSJEA-GBESFXJTSA-N 1 3 370.896 2.870 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001014505411 742471280 /nfs/dbraw/zinc/47/12/80/742471280.db2.gz AXYTYSUMGGKEJD-GBESFXJTSA-N 1 3 363.933 2.803 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001014505411 742471282 /nfs/dbraw/zinc/47/12/82/742471282.db2.gz AXYTYSUMGGKEJD-GBESFXJTSA-N 1 3 363.933 2.803 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC001023993415 742717919 /nfs/dbraw/zinc/71/79/19/742717919.db2.gz FKYXPBBTMWOSAG-YESZJQIVSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3nc(C)cs3)C2)CC[N@H+]1C ZINC001023993415 742717923 /nfs/dbraw/zinc/71/79/23/742717923.db2.gz FKYXPBBTMWOSAG-YESZJQIVSA-N 1 3 364.559 2.510 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000822892760 742798694 /nfs/dbraw/zinc/79/86/94/742798694.db2.gz NWGVOSRTZILTCT-MRXNPFEDSA-N 1 3 362.345 2.635 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3ncc(C)s3)CC2)CC[N@@H+]1C ZINC001034649808 742929639 /nfs/dbraw/zinc/92/96/39/742929639.db2.gz VJHLFBBCNKYZEQ-LUKYLMHMSA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3ncc(C)s3)CC2)CC[N@H+]1C ZINC001034649808 742929641 /nfs/dbraw/zinc/92/96/41/742929641.db2.gz VJHLFBBCNKYZEQ-LUKYLMHMSA-N 1 3 364.559 2.699 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[NH+](C3CCCCC3)CC2)cc(Cl)n1 ZINC000831390362 745523509 /nfs/dbraw/zinc/52/35/09/745523509.db2.gz WUDXUQXYKYCNNC-QGZVFWFLSA-N 1 3 364.921 2.910 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc(Cl)n1 ZINC000844187651 747985096 /nfs/dbraw/zinc/98/50/96/747985096.db2.gz MMDMXYKUGWGYIS-GJZGRUSLSA-N 1 3 354.926 2.916 20 0 FFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1ccc(C[NH3+])cc1F ZINC000844922681 748137116 /nfs/dbraw/zinc/13/71/16/748137116.db2.gz CGHUQMZFIUHJDT-NSHDSACASA-N 1 3 350.825 2.840 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)ccc1OC ZINC000846193768 748427527 /nfs/dbraw/zinc/42/75/27/748427527.db2.gz OJCHFWNPYWYYCH-OXQOHEQNSA-N 1 3 350.503 2.729 20 0 FFADHO CCCCCC[C@H](C)NC(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846221726 748433435 /nfs/dbraw/zinc/43/34/35/748433435.db2.gz DJSPFKQVJKEFGQ-CADBVGFASA-N 1 3 353.551 2.680 20 0 FFADHO O[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000848533338 748952436 /nfs/dbraw/zinc/95/24/36/748952436.db2.gz JUGOMAMUNVUDFJ-CZUORRHYSA-N 1 3 359.297 2.870 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000852838334 749963684 /nfs/dbraw/zinc/96/36/84/749963684.db2.gz GRTASFUCQQGLLI-RDJZCZTQSA-N 1 3 364.921 2.672 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)n1 ZINC000852927402 749974030 /nfs/dbraw/zinc/97/40/30/749974030.db2.gz MSNWZWVPAYOATC-RDJZCZTQSA-N 1 3 364.921 2.672 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)n1 ZINC000852927402 749974032 /nfs/dbraw/zinc/97/40/32/749974032.db2.gz MSNWZWVPAYOATC-RDJZCZTQSA-N 1 3 364.921 2.672 20 0 FFADHO CN(C)CC[NH+]1CCC(NCc2cc(F)ccc2Br)CC1 ZINC000090169137 845604910 /nfs/dbraw/zinc/60/49/10/845604910.db2.gz WBHXKANAQPNEDW-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](CC)OC)C1 ZINC001104803570 970859701 /nfs/dbraw/zinc/85/97/01/970859701.db2.gz VGJMALZXGUIECL-AQNXPRMDSA-N 1 3 369.594 2.998 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3C)CC[C@@H]2C1)N(C)C ZINC001088010830 971843696 /nfs/dbraw/zinc/84/36/96/971843696.db2.gz MCWLSTLYAKUFNJ-WSTZPKSXSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3C)CC[C@@H]2C1)N(C)C ZINC001088010830 971843702 /nfs/dbraw/zinc/84/37/02/971843702.db2.gz MCWLSTLYAKUFNJ-WSTZPKSXSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@@H]2C1)N(C)C ZINC001088011655 971847292 /nfs/dbraw/zinc/84/72/92/971847292.db2.gz XOAYLTDTGRFFIU-FGTMMUONSA-N 1 3 371.516 2.932 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@@H]2C1)N(C)C ZINC001088011655 971847296 /nfs/dbraw/zinc/84/72/96/971847296.db2.gz XOAYLTDTGRFFIU-FGTMMUONSA-N 1 3 371.516 2.932 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc4c(c3)CCC4)CC2(C)C)CC[N@@H+]1C ZINC000974605877 972054267 /nfs/dbraw/zinc/05/42/67/972054267.db2.gz OJGAVTXQQONIHH-MAODMQOUSA-N 1 3 369.553 2.842 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc4c(c3)CCC4)CC2(C)C)CC[N@H+]1C ZINC000974605877 972054276 /nfs/dbraw/zinc/05/42/76/972054276.db2.gz OJGAVTXQQONIHH-MAODMQOUSA-N 1 3 369.553 2.842 20 0 FFADHO [NH3+][C@@H](C[C@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1)C1CCCC1 ZINC000872157691 1013158063 /nfs/dbraw/zinc/15/80/63/1013158063.db2.gz QSROZQGBOHBZNB-APWZRJJASA-N 1 3 354.498 2.814 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652137599 972374386 /nfs/dbraw/zinc/37/43/86/972374386.db2.gz QRKJAHBYWUGHIV-HNAYVOBHSA-N 1 3 370.472 2.919 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(CC4(F)F)CC3)CC2)CC1 ZINC000655164660 959563281 /nfs/dbraw/zinc/56/32/81/959563281.db2.gz DYBLFUCTNTXSNE-UHFFFAOYSA-N 1 3 369.500 2.831 20 0 FFADHO c1cn2c(n1)[C@@H](NCCCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000655699582 961102714 /nfs/dbraw/zinc/10/27/14/961102714.db2.gz DLBDBCKIINRLPE-FQEVSTJZSA-N 1 3 353.514 2.910 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1=O ZINC001276004499 1013272466 /nfs/dbraw/zinc/27/24/66/1013272466.db2.gz UQAZSXIVHNCPDD-FQEVSTJZSA-N 1 3 357.523 2.887 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3cc4ccccc4s3)C2)C1=O ZINC001276004499 1013272472 /nfs/dbraw/zinc/27/24/72/1013272472.db2.gz UQAZSXIVHNCPDD-FQEVSTJZSA-N 1 3 357.523 2.887 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)Cc2ccccc21 ZINC000872874903 1013288979 /nfs/dbraw/zinc/28/89/79/1013288979.db2.gz RGMLOADUMSYFAA-QGZVFWFLSA-N 1 3 370.541 2.874 20 0 FFADHO CN1CCN(c2ccc(Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001174814718 1013303536 /nfs/dbraw/zinc/30/35/36/1013303536.db2.gz KUZTXZMPKCDSQA-UHFFFAOYSA-N 1 3 365.525 2.934 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c(C)c1 ZINC001095424287 1013332391 /nfs/dbraw/zinc/33/23/91/1013332391.db2.gz LJNWSXZQGXJNKA-CZYKHXBRSA-N 1 3 367.537 2.867 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(N)Cc2ccccc2C1)c1ccccc1 ZINC000649322185 1013350776 /nfs/dbraw/zinc/35/07/76/1013350776.db2.gz DKCKDPWGXQEPEP-MRXNPFEDSA-N 1 3 351.494 2.728 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000649354828 1013371591 /nfs/dbraw/zinc/37/15/91/1013371591.db2.gz PPBJEBOPBLZKJL-MRXNPFEDSA-N 1 3 368.456 2.717 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000649354828 1013371602 /nfs/dbraw/zinc/37/16/02/1013371602.db2.gz PPBJEBOPBLZKJL-MRXNPFEDSA-N 1 3 368.456 2.717 20 0 FFADHO CC(C)CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104319385 963269383 /nfs/dbraw/zinc/26/93/83/963269383.db2.gz QVOBFFNHNKSAKH-AQNXPRMDSA-N 1 3 369.594 2.710 20 0 FFADHO O=C(NC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1)c1ccc(F)cc1 ZINC000873202241 1013425039 /nfs/dbraw/zinc/42/50/39/1013425039.db2.gz OTBMNDPQNSXNGV-UHFFFAOYSA-N 1 3 373.497 2.927 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000389868313 963794480 /nfs/dbraw/zinc/79/44/80/963794480.db2.gz IANYKEIRXNTCMT-YLJYHZDGSA-N 1 3 366.509 2.663 20 0 FFADHO COCCOCN1CCC2(C1)CC[NH+](CC1(CN(C)C)CCCC1)CC2 ZINC001279493120 963857294 /nfs/dbraw/zinc/85/72/94/963857294.db2.gz XBKPABJDNZNGQY-UHFFFAOYSA-N 1 3 367.578 2.517 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090184968 963975426 /nfs/dbraw/zinc/97/54/26/963975426.db2.gz OMUPFDLCFXANOR-RBBKRZOGSA-N 1 3 372.601 2.903 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786766 964122384 /nfs/dbraw/zinc/12/23/84/964122384.db2.gz XKWVXKUPHDJFOZ-HNNXBMFYSA-N 1 3 374.451 2.881 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1coc2ccc(F)cc12 ZINC001276113839 1013477516 /nfs/dbraw/zinc/47/75/16/1013477516.db2.gz SLZDDFDBZAKDCV-QZTJIDSGSA-N 1 3 359.445 2.699 20 0 FFADHO C[NH+]1CCC(NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC000891523711 964426770 /nfs/dbraw/zinc/42/67/70/964426770.db2.gz GJMALLNKVLFNIQ-UHFFFAOYSA-N 1 3 366.509 2.759 20 0 FFADHO CCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664502471 964543077 /nfs/dbraw/zinc/54/30/77/964543077.db2.gz HLOCCULNAFZNDA-XLIONFOSSA-N 1 3 373.545 2.733 20 0 FFADHO CCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664502471 964543082 /nfs/dbraw/zinc/54/30/82/964543082.db2.gz HLOCCULNAFZNDA-XLIONFOSSA-N 1 3 373.545 2.733 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC=C(Cl)Cl)C2CCCC2)CC[N@@H+]1C ZINC001270403249 965045823 /nfs/dbraw/zinc/04/58/23/965045823.db2.gz DNRQBUAKZXKROT-BPLDGKMQSA-N 1 3 362.345 2.910 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC=C(Cl)Cl)C2CCCC2)CC[N@H+]1C ZINC001270403249 965045833 /nfs/dbraw/zinc/04/58/33/965045833.db2.gz DNRQBUAKZXKROT-BPLDGKMQSA-N 1 3 362.345 2.910 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C2CCC2)sn1 ZINC001087175257 965097903 /nfs/dbraw/zinc/09/79/03/965097903.db2.gz DIUGBPJXYVZWFD-PBHICJAKSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1CN(CCC2CN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001175775749 1013555789 /nfs/dbraw/zinc/55/57/89/1013555789.db2.gz UNHWMKALWQXGMJ-MRXNPFEDSA-N 1 3 360.502 2.849 20 0 FFADHO CC1(C)CN([C@@H]2CCCNC2=O)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836387 965550926 /nfs/dbraw/zinc/55/09/26/965550926.db2.gz TVEYSLDNMHVOSG-UXHICEINSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)C(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167981748 965628874 /nfs/dbraw/zinc/62/88/74/965628874.db2.gz IDNPJLBXRBIFLB-SEJPIABJSA-N 1 3 355.526 2.926 20 0 FFADHO CN(C)C(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981748 965628880 /nfs/dbraw/zinc/62/88/80/965628880.db2.gz IDNPJLBXRBIFLB-SEJPIABJSA-N 1 3 355.526 2.926 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000892112161 965993998 /nfs/dbraw/zinc/99/39/98/965993998.db2.gz HGAOKCMCAOSKAI-IBGZPJMESA-N 1 3 356.514 2.533 20 0 FFADHO CCCOc1ccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1 ZINC000657358236 966272545 /nfs/dbraw/zinc/27/25/45/966272545.db2.gz IUJOZBPTYLWRJW-UHFFFAOYSA-N 1 3 361.530 2.816 20 0 FFADHO CN(C(=O)NCC1CCN(Cc2ccncc2)CC1)C1(C[NH3+])CCCCC1 ZINC000892242391 966363210 /nfs/dbraw/zinc/36/32/10/966363210.db2.gz YWBVOSBHWZBAFH-UHFFFAOYSA-N 1 3 373.545 2.597 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000892260199 966489221 /nfs/dbraw/zinc/48/92/21/966489221.db2.gz IGCKYEGCZYZNSG-MDNKFWRPSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000892260199 966489225 /nfs/dbraw/zinc/48/92/25/966489225.db2.gz IGCKYEGCZYZNSG-MDNKFWRPSA-N 1 3 356.514 2.700 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[N@H+]2CC[C@H](C)C2)sn1 ZINC001087213408 966593060 /nfs/dbraw/zinc/59/30/60/966593060.db2.gz SORCOAJXLJGFQI-VYDXJSESSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[N@@H+]2CC[C@H](C)C2)sn1 ZINC001087213408 966593067 /nfs/dbraw/zinc/59/30/67/966593067.db2.gz SORCOAJXLJGFQI-VYDXJSESSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001087219698 966757246 /nfs/dbraw/zinc/75/72/46/966757246.db2.gz KFZWYLIZZLHYED-FMKPAKJESA-N 1 3 354.445 2.604 20 0 FFADHO c1cn(-c2ccccc2)c(CNCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657537376 966833544 /nfs/dbraw/zinc/83/35/44/966833544.db2.gz IYYUEVFSSGKEFN-UHFFFAOYSA-N 1 3 354.498 2.853 20 0 FFADHO Cc1nn(C)c2ncc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc12 ZINC000657611938 966958323 /nfs/dbraw/zinc/95/83/23/966958323.db2.gz FKDOKEVGVOTEQJ-UHFFFAOYSA-N 1 3 364.497 2.674 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1Cc1cccc(C(C)C)n1 ZINC001087519364 967607309 /nfs/dbraw/zinc/60/73/09/967607309.db2.gz KRFUGBSBQUVCNK-ZCNNSNEGSA-N 1 3 358.530 2.768 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001087519364 967607315 /nfs/dbraw/zinc/60/73/15/967607315.db2.gz KRFUGBSBQUVCNK-ZCNNSNEGSA-N 1 3 358.530 2.768 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001087519364 967607318 /nfs/dbraw/zinc/60/73/18/967607318.db2.gz KRFUGBSBQUVCNK-ZCNNSNEGSA-N 1 3 358.530 2.768 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1sc(C)nc1C ZINC001087577670 968213552 /nfs/dbraw/zinc/21/35/52/968213552.db2.gz CIEWUKAZSUYDDB-MXASKKJJSA-N 1 3 364.559 2.569 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1sc(C)nc1C ZINC001087577670 968213558 /nfs/dbraw/zinc/21/35/58/968213558.db2.gz CIEWUKAZSUYDDB-MXASKKJJSA-N 1 3 364.559 2.569 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCOc1ccccc1 ZINC001087639747 968475240 /nfs/dbraw/zinc/47/52/40/968475240.db2.gz PPLGTBSGHHXGFM-VQTJNVASSA-N 1 3 371.525 2.663 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC1CCC1 ZINC001087724044 968748304 /nfs/dbraw/zinc/74/83/04/968748304.db2.gz SPICCQJZGLGJAE-SQGPQFPESA-N 1 3 353.526 2.968 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC1CCC1 ZINC001087724044 968748312 /nfs/dbraw/zinc/74/83/12/968748312.db2.gz SPICCQJZGLGJAE-SQGPQFPESA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)(CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000659027761 969640820 /nfs/dbraw/zinc/64/08/20/969640820.db2.gz IWHCZEJXTCXDSB-GOSISDBHSA-N 1 3 360.502 2.734 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C(C)(C)C ZINC000659034870 969651829 /nfs/dbraw/zinc/65/18/29/969651829.db2.gz RJNLNMIMHMPEFO-MSOLQXFVSA-N 1 3 362.518 2.835 20 0 FFADHO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659036812 969654312 /nfs/dbraw/zinc/65/43/12/969654312.db2.gz FYBQXXAKORWLCW-IBGZPJMESA-N 1 3 372.469 2.536 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042671 969664365 /nfs/dbraw/zinc/66/43/65/969664365.db2.gz LWAIBOUXKPCVRP-MSOLQXFVSA-N 1 3 360.502 2.589 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042671 969664371 /nfs/dbraw/zinc/66/43/71/969664371.db2.gz LWAIBOUXKPCVRP-MSOLQXFVSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001104639759 970007568 /nfs/dbraw/zinc/00/75/68/970007568.db2.gz UYPFBWULMBUNOR-YVWKXTFCSA-N 1 3 363.521 2.986 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2cnc(C)o2)C1)[NH+](CC)CC ZINC001104666186 970063693 /nfs/dbraw/zinc/06/36/93/970063693.db2.gz NNPGKDJOZKLGFN-SUMDDJOVSA-N 1 3 364.534 2.678 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2conc2C)C1)[NH+](CC)CC ZINC001104666668 970066952 /nfs/dbraw/zinc/06/69/52/970066952.db2.gz SQRJRERENZOCRQ-SZVBFZGTSA-N 1 3 364.534 2.678 20 0 FFADHO Cc1ncsc1C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676336 970084503 /nfs/dbraw/zinc/08/45/03/970084503.db2.gz FUMQSKSACBWCHB-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1)N(C)C ZINC001104691936 970111726 /nfs/dbraw/zinc/11/17/26/970111726.db2.gz ZDIASYMEOSUEND-OGWOLHLISA-N 1 3 367.484 2.879 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892875133 970343639 /nfs/dbraw/zinc/34/36/39/970343639.db2.gz CRKXYJFCTTWIDI-RTBURBONSA-N 1 3 366.477 2.740 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000665553121 972726741 /nfs/dbraw/zinc/72/67/41/972726741.db2.gz OATBKKGJQQXLGU-GHTZIAJQSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000665553121 972726747 /nfs/dbraw/zinc/72/67/47/972726747.db2.gz OATBKKGJQQXLGU-GHTZIAJQSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095251 972736180 /nfs/dbraw/zinc/73/61/80/972736180.db2.gz CIJSBMOZELMUTG-QHAWAJNXSA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095251 972736185 /nfs/dbraw/zinc/73/61/85/972736185.db2.gz CIJSBMOZELMUTG-QHAWAJNXSA-N 1 3 357.542 2.862 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665557611 972773742 /nfs/dbraw/zinc/77/37/42/972773742.db2.gz ZUPPMUZFCZFOGA-MRXNPFEDSA-N 1 3 362.518 2.758 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665557611 972773759 /nfs/dbraw/zinc/77/37/59/972773759.db2.gz ZUPPMUZFCZFOGA-MRXNPFEDSA-N 1 3 362.518 2.758 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106308 972811403 /nfs/dbraw/zinc/81/14/03/972811403.db2.gz VFIKUDWPSVUYHU-WMQCIHAUSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106308 972811420 /nfs/dbraw/zinc/81/14/20/972811420.db2.gz VFIKUDWPSVUYHU-WMQCIHAUSA-N 1 3 369.553 2.926 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1 ZINC001088106165 972821967 /nfs/dbraw/zinc/82/19/67/972821967.db2.gz OURDHEQGGZJHER-LMMKCTJWSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1 ZINC001088106165 972821977 /nfs/dbraw/zinc/82/19/77/972821977.db2.gz OURDHEQGGZJHER-LMMKCTJWSA-N 1 3 359.489 2.590 20 0 FFADHO COC(=O)c1cnc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000896932910 973047967 /nfs/dbraw/zinc/04/79/67/973047967.db2.gz UZNVGBILPSZHNL-DOTOQJQBSA-N 1 3 373.522 2.972 20 0 FFADHO COC(=O)c1cnc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000896932910 973047982 /nfs/dbraw/zinc/04/79/82/973047982.db2.gz UZNVGBILPSZHNL-DOTOQJQBSA-N 1 3 373.522 2.972 20 0 FFADHO COC(=O)c1cnc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000896932910 973047993 /nfs/dbraw/zinc/04/79/93/973047993.db2.gz UZNVGBILPSZHNL-DOTOQJQBSA-N 1 3 373.522 2.972 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)cc1CN1CCCCC1 ZINC000840826012 973378671 /nfs/dbraw/zinc/37/86/71/973378671.db2.gz PUHHDKZCBRMFMH-FUHWJXTLSA-N 1 3 359.514 2.858 20 0 FFADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2cccnc12 ZINC000665639283 973786160 /nfs/dbraw/zinc/78/61/60/973786160.db2.gz TVONYAJGCDOXJY-HNNXBMFYSA-N 1 3 373.501 2.637 20 0 FFADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2cccnc12 ZINC000665639283 973786171 /nfs/dbraw/zinc/78/61/71/973786171.db2.gz TVONYAJGCDOXJY-HNNXBMFYSA-N 1 3 373.501 2.637 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000893439397 973965943 /nfs/dbraw/zinc/96/59/43/973965943.db2.gz FQKJWQTULCCENQ-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000893439397 973965955 /nfs/dbraw/zinc/96/59/55/973965955.db2.gz FQKJWQTULCCENQ-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000665758954 974090128 /nfs/dbraw/zinc/09/01/28/974090128.db2.gz VCWWWALTFCQBKR-JKSUJKDBSA-N 1 3 364.509 2.726 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000665758954 974090138 /nfs/dbraw/zinc/09/01/38/974090138.db2.gz VCWWWALTFCQBKR-JKSUJKDBSA-N 1 3 364.509 2.726 20 0 FFADHO Cc1ccc(F)c(CN(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000985441881 974092880 /nfs/dbraw/zinc/09/28/80/974092880.db2.gz MGCWUZDQTXUIGO-VQIMIIECSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(F)c(CN(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000985441881 974092885 /nfs/dbraw/zinc/09/28/85/974092885.db2.gz MGCWUZDQTXUIGO-VQIMIIECSA-N 1 3 361.505 2.897 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000652313577 974820702 /nfs/dbraw/zinc/82/07/02/974820702.db2.gz AXCPGRDJGIMPCV-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)c(C)c2)CC1 ZINC000653124401 1014233998 /nfs/dbraw/zinc/23/39/98/1014233998.db2.gz XWFULMZDCJDVDK-PMACEKPBSA-N 1 3 356.514 2.606 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653140064 1014234932 /nfs/dbraw/zinc/23/49/32/1014234932.db2.gz KPCCNCIRPCSZTH-INIZCTEOSA-N 1 3 371.447 2.985 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000662297161 975411705 /nfs/dbraw/zinc/41/17/05/975411705.db2.gz NZTSREFDCCSQMG-RBBKRZOGSA-N 1 3 355.526 2.966 20 0 FFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000667005609 975615551 /nfs/dbraw/zinc/61/55/51/975615551.db2.gz UTAIYHMPOVGXFR-KZNAEPCWSA-N 1 3 369.513 2.803 20 0 FFADHO CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369093 975632648 /nfs/dbraw/zinc/63/26/48/975632648.db2.gz WVFCURKTCZAJLO-NHCUHLMSSA-N 1 3 360.542 2.912 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638498 975773293 /nfs/dbraw/zinc/77/32/93/975773293.db2.gz RNZBHZOKBXZVEV-UXHICEINSA-N 1 3 358.530 2.708 20 0 FFADHO [NH3+][C@@H](CC1CCCCC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638724 975781191 /nfs/dbraw/zinc/78/11/91/975781191.db2.gz VPQPYFCEMWCVRR-FQEVSTJZSA-N 1 3 358.530 2.708 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)N2CCCC2)cc1 ZINC000662699525 975839910 /nfs/dbraw/zinc/83/99/10/975839910.db2.gz BSMAYPNPRDYGAE-SJLPKXTDSA-N 1 3 369.431 2.790 20 0 FFADHO CN1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000667119132 975858887 /nfs/dbraw/zinc/85/88/87/975858887.db2.gz JVYBHWYQEGJVTQ-HXUWFJFHSA-N 1 3 370.541 2.636 20 0 FFADHO CN1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000667119132 975858892 /nfs/dbraw/zinc/85/88/92/975858892.db2.gz JVYBHWYQEGJVTQ-HXUWFJFHSA-N 1 3 370.541 2.636 20 0 FFADHO c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)nc1C1CC1 ZINC000663425759 975863999 /nfs/dbraw/zinc/86/39/99/975863999.db2.gz SMUQFMXGFZVDBQ-CVEARBPZSA-N 1 3 368.529 2.651 20 0 FFADHO c1c(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)nc1C1CC1 ZINC000663425759 975864012 /nfs/dbraw/zinc/86/40/12/975864012.db2.gz SMUQFMXGFZVDBQ-CVEARBPZSA-N 1 3 368.529 2.651 20 0 FFADHO CC[C@@H](C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2)OC ZINC001112531831 975969482 /nfs/dbraw/zinc/96/94/82/975969482.db2.gz SODVDGAXVFSUAA-WFXMLNOXSA-N 1 3 367.578 2.608 20 0 FFADHO c1nc2cc(NCCN3CCSCC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001167837550 976435790 /nfs/dbraw/zinc/43/57/90/976435790.db2.gz NHWTUBVKWUSTNN-QGZVFWFLSA-N 1 3 359.543 2.812 20 0 FFADHO CCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000663644717 976611966 /nfs/dbraw/zinc/61/19/66/976611966.db2.gz ZSVOEQZZLQXQHG-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000663644717 976611970 /nfs/dbraw/zinc/61/19/70/976611970.db2.gz ZSVOEQZZLQXQHG-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1cccc(N2CC[NH+](CCCCNc3cc(C)nc(N)n3)CC2)c1 ZINC000042100110 976748904 /nfs/dbraw/zinc/74/89/04/976748904.db2.gz JNUPTHXMJBWESZ-UHFFFAOYSA-N 1 3 354.502 2.690 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667724130 976839323 /nfs/dbraw/zinc/83/93/23/976839323.db2.gz YDVIXPNHYBPVSA-HNNXBMFYSA-N 1 3 353.470 2.887 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccc(F)cc2)CC3)CC[N@@H+]1C ZINC000990768095 976999826 /nfs/dbraw/zinc/99/98/26/976999826.db2.gz ZTLSHIYAWYUTLD-FEGHXTNJSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccc(F)cc2)CC3)CC[N@H+]1C ZINC000990768095 976999829 /nfs/dbraw/zinc/99/98/29/976999829.db2.gz ZTLSHIYAWYUTLD-FEGHXTNJSA-N 1 3 359.489 2.779 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2cc(F)ccc2F)C(C)C)CC[N@@H+]1C ZINC001268212613 977153388 /nfs/dbraw/zinc/15/33/88/977153388.db2.gz KKGOFTHGFISTEI-YTQUADARSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2cc(F)ccc2F)C(C)C)CC[N@H+]1C ZINC001268212613 977153389 /nfs/dbraw/zinc/15/33/89/977153389.db2.gz KKGOFTHGFISTEI-YTQUADARSA-N 1 3 367.484 2.926 20 0 FFADHO COc1cccc(OCC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000152216175 977790085 /nfs/dbraw/zinc/79/00/85/977790085.db2.gz AJLIRWUCELKEIS-HDICACEKSA-N 1 3 362.514 2.895 20 0 FFADHO Cc1cccc2c(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c[nH]c21 ZINC000664211398 978357295 /nfs/dbraw/zinc/35/72/95/978357295.db2.gz ZXQIZEUCTPBWFD-KRWDZBQOSA-N 1 3 373.545 2.590 20 0 FFADHO Cc1cccc2c(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c[nH]c21 ZINC000664211398 978357308 /nfs/dbraw/zinc/35/73/08/978357308.db2.gz ZXQIZEUCTPBWFD-KRWDZBQOSA-N 1 3 373.545 2.590 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(F)ccc1F ZINC001482532060 979112070 /nfs/dbraw/zinc/11/20/70/979112070.db2.gz PLDZWVRQGSYABW-QBIMZIAESA-N 1 3 353.457 2.535 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(F)ccc1F ZINC001482532060 979112074 /nfs/dbraw/zinc/11/20/74/979112074.db2.gz PLDZWVRQGSYABW-QBIMZIAESA-N 1 3 353.457 2.535 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877360303 1014562633 /nfs/dbraw/zinc/56/26/33/1014562633.db2.gz LWNYLOWXEZCCCR-SMDDNHRTSA-N 1 3 369.387 2.704 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)C1 ZINC001076457901 979515556 /nfs/dbraw/zinc/51/55/56/979515556.db2.gz WKZUROGSTNZVSP-IMFGXOCKSA-N 1 3 367.493 2.807 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)C1 ZINC001076457901 979515562 /nfs/dbraw/zinc/51/55/62/979515562.db2.gz WKZUROGSTNZVSP-IMFGXOCKSA-N 1 3 367.493 2.807 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1(C)C ZINC000877452706 1014589089 /nfs/dbraw/zinc/58/90/89/1014589089.db2.gz QRRYPCWONPKCKF-JWVYWZTKSA-N 1 3 365.562 2.665 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1(C)C ZINC000877452704 1014589196 /nfs/dbraw/zinc/58/91/96/1014589196.db2.gz QRRYPCWONPKCKF-FLTJSSMESA-N 1 3 365.562 2.665 20 0 FFADHO C[C@H]1CN(Cc2cc3c(cc2Br)OCO3)CCC[C@H]1C[NH3+] ZINC001205994017 1032098646 /nfs/dbraw/zinc/09/86/46/1032098646.db2.gz ITNJTZFDIXTQCA-RYUDHWBXSA-N 1 3 355.276 2.985 20 0 FFADHO CC(C)[C@@H]([NH3+])C(C)(C)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000904103165 980184863 /nfs/dbraw/zinc/18/48/63/980184863.db2.gz PWGJPICRSPVXTG-QGZVFWFLSA-N 1 3 372.517 2.534 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])cc2)CC1 ZINC000904282435 980233826 /nfs/dbraw/zinc/23/38/26/980233826.db2.gz SLXLSFBSPSHFRG-UTKZUKDTSA-N 1 3 371.529 2.564 20 0 FFADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc2ccccc21 ZINC000904473527 980283449 /nfs/dbraw/zinc/28/34/49/980283449.db2.gz RFNDULJNMGYWGE-CVEARBPZSA-N 1 3 355.482 2.696 20 0 FFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)C[C@@H](O)c1ccccc1 ZINC000905027703 980373757 /nfs/dbraw/zinc/37/37/57/980373757.db2.gz QQEBWLKTVLSIHT-FGZHOGPDSA-N 1 3 354.494 2.857 20 0 FFADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[C@H](O)c1ccccc1 ZINC000905910097 980544418 /nfs/dbraw/zinc/54/44/18/980544418.db2.gz UDIMWZNVAIYNLG-PKTZIBPZSA-N 1 3 368.521 2.768 20 0 FFADHO CCc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)cc1 ZINC001088571844 981165441 /nfs/dbraw/zinc/16/54/41/981165441.db2.gz PJVMEQBOTJMMMQ-HBGVWJBISA-N 1 3 355.526 2.670 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666662686 981192276 /nfs/dbraw/zinc/19/22/76/981192276.db2.gz FIGXELLJKZJDHE-KRWDZBQOSA-N 1 3 362.518 2.760 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666662686 981192280 /nfs/dbraw/zinc/19/22/80/981192280.db2.gz FIGXELLJKZJDHE-KRWDZBQOSA-N 1 3 362.518 2.760 20 0 FFADHO CC[C@H]1CN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC[C@@H]1[NH3+] ZINC000666676674 981206736 /nfs/dbraw/zinc/20/67/36/981206736.db2.gz UHHHQUCOGQGDIK-HKUYNNGSSA-N 1 3 373.545 2.728 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)c2)CC1 ZINC000666736860 981298315 /nfs/dbraw/zinc/29/83/15/981298315.db2.gz URHUXCBLROTJGH-LJQANCHMSA-N 1 3 373.545 2.823 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)c2)CC1 ZINC000666736860 981298320 /nfs/dbraw/zinc/29/83/20/981298320.db2.gz URHUXCBLROTJGH-LJQANCHMSA-N 1 3 373.545 2.823 20 0 FFADHO CCN(CC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)C(=O)[C@H]1CCCN1C ZINC001482914171 981589954 /nfs/dbraw/zinc/58/99/54/981589954.db2.gz JQXKVHKEKHBWGX-KSZLIROESA-N 1 3 365.468 2.568 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)C1 ZINC000650707764 1014746520 /nfs/dbraw/zinc/74/65/20/1014746520.db2.gz MOXWFXXYQOOHIC-HMXCVIKNSA-N 1 3 372.488 2.789 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000654657518 1014823462 /nfs/dbraw/zinc/82/34/62/1014823462.db2.gz KZOIGKVNRDMNAR-UHFFFAOYSA-N 1 3 371.525 2.689 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000897587614 982352378 /nfs/dbraw/zinc/35/23/78/982352378.db2.gz ZBACFYMVHCXHAS-FQEVSTJZSA-N 1 3 359.514 2.725 20 0 FFADHO Cc1occc1-c1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000666909304 982771775 /nfs/dbraw/zinc/77/17/75/982771775.db2.gz AKTMEYAKCAQKPC-ZDUSSCGKSA-N 1 3 363.462 2.637 20 0 FFADHO Cc1occc1-c1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000666909304 982771780 /nfs/dbraw/zinc/77/17/80/982771780.db2.gz AKTMEYAKCAQKPC-ZDUSSCGKSA-N 1 3 363.462 2.637 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1C ZINC001088693023 982794222 /nfs/dbraw/zinc/79/42/22/982794222.db2.gz IOIZDLICPZMNTD-PVAVHDDUSA-N 1 3 357.489 2.731 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H]1C ZINC001088693023 982794226 /nfs/dbraw/zinc/79/42/26/982794226.db2.gz IOIZDLICPZMNTD-PVAVHDDUSA-N 1 3 357.489 2.731 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C ZINC001088693065 982795104 /nfs/dbraw/zinc/79/51/04/982795104.db2.gz KCIYWIYDVBCYCJ-GIVPXCGWSA-N 1 3 357.542 2.929 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H]1C ZINC001088693065 982795110 /nfs/dbraw/zinc/79/51/10/982795110.db2.gz KCIYWIYDVBCYCJ-GIVPXCGWSA-N 1 3 357.542 2.929 20 0 FFADHO CN(C[C@H](O)CC1(CO)CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878150526 1014883595 /nfs/dbraw/zinc/88/35/95/1014883595.db2.gz LAMOYTGJMMYSOY-LEWJYISDSA-N 1 3 360.542 2.744 20 0 FFADHO CN(C[C@H](O)CC1(CO)CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878150526 1014883609 /nfs/dbraw/zinc/88/36/09/1014883609.db2.gz LAMOYTGJMMYSOY-LEWJYISDSA-N 1 3 360.542 2.744 20 0 FFADHO [NH2+]=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCOc2ccccc21 ZINC000083031615 984043634 /nfs/dbraw/zinc/04/36/34/984043634.db2.gz CYPNMBYWSBZUMO-HXUWFJFHSA-N 1 3 364.493 2.863 20 0 FFADHO COc1ccc2c(c1)nccc2N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764184872 984359894 /nfs/dbraw/zinc/35/98/94/984359894.db2.gz BRWGIQFAKYYVND-UZLBHIALSA-N 1 3 354.498 2.706 20 0 FFADHO Clc1ccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)nn1 ZINC001168389391 984444145 /nfs/dbraw/zinc/44/41/45/984444145.db2.gz NIVITGQENIXRGU-UHFFFAOYSA-N 1 3 350.894 2.848 20 0 FFADHO CC[C@H](F)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495056 984596963 /nfs/dbraw/zinc/59/69/63/984596963.db2.gz ICWNJLAINQNFIL-SQGPQFPESA-N 1 3 353.526 2.970 20 0 FFADHO CC[C@H](F)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495056 984596968 /nfs/dbraw/zinc/59/69/68/984596968.db2.gz ICWNJLAINQNFIL-SQGPQFPESA-N 1 3 353.526 2.970 20 0 FFADHO Cc1ncc(CN2CC[C@@]3(CNC(=O)CCC[NH+](C)C)CCC[C@@H]23)s1 ZINC001107522570 984622930 /nfs/dbraw/zinc/62/29/30/984622930.db2.gz ISXFMIDHTVCBQF-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483953 984650886 /nfs/dbraw/zinc/65/08/86/984650886.db2.gz UPDZXLNXYYNYRA-YSIASYRMSA-N 1 3 358.530 2.982 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C[C@H]21 ZINC000669483676 984652827 /nfs/dbraw/zinc/65/28/27/984652827.db2.gz GXIYIOUUOKHJSV-NCYKPQTJSA-N 1 3 370.541 2.982 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669586752 984871578 /nfs/dbraw/zinc/87/15/78/984871578.db2.gz RYEAFISKOGIQCF-PKOBYXMFSA-N 1 3 362.518 2.518 20 0 FFADHO COc1cccc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)c1 ZINC001088898905 985384246 /nfs/dbraw/zinc/38/42/46/985384246.db2.gz AXNOTNNSOBWHHD-UZLBHIALSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCc1ccccc1F ZINC001088899286 985385847 /nfs/dbraw/zinc/38/58/47/985385847.db2.gz WLIBCTBWBRAJSQ-UZLBHIALSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(CC3CCCCCC3)CCO2)CC[N@@H+]1C ZINC001107953268 985403943 /nfs/dbraw/zinc/40/39/43/985403943.db2.gz WUPSKLOGSHCPAX-QFUCXCTJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CN(CC3CCCCCC3)CCO2)CC[N@H+]1C ZINC001107953268 985403950 /nfs/dbraw/zinc/40/39/50/985403950.db2.gz WUPSKLOGSHCPAX-QFUCXCTJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753617 985716110 /nfs/dbraw/zinc/71/61/10/985716110.db2.gz HPECPMHEKPSBNU-DOPJRALCSA-N 1 3 359.470 2.952 20 0 FFADHO CCC[NH+]1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063145111 985736837 /nfs/dbraw/zinc/73/68/37/985736837.db2.gz ZPXKLAASNUUMMJ-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCc3c(F)cccc3F)CC2)CC[N@@H+]1C ZINC000997784136 985739534 /nfs/dbraw/zinc/73/95/34/985739534.db2.gz BQXUVAMYWVGZAH-GDBMZVCRSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCc3c(F)cccc3F)CC2)CC[N@H+]1C ZINC000997784136 985739547 /nfs/dbraw/zinc/73/95/47/985739547.db2.gz BQXUVAMYWVGZAH-GDBMZVCRSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCCc1ccccc1Cl ZINC001089038666 986054246 /nfs/dbraw/zinc/05/42/46/986054246.db2.gz GMQHHSGUCJYNTG-AYBZRNKSSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCCc1ccccc1Cl ZINC001089038666 986054263 /nfs/dbraw/zinc/05/42/63/986054263.db2.gz GMQHHSGUCJYNTG-AYBZRNKSSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C(F)F)cc1 ZINC001089039185 986057935 /nfs/dbraw/zinc/05/79/35/986057935.db2.gz ZDYUXTOJDXQNJC-XYPHTWIQSA-N 1 3 351.441 2.655 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C(F)F)cc1 ZINC001089039185 986057947 /nfs/dbraw/zinc/05/79/47/986057947.db2.gz ZDYUXTOJDXQNJC-XYPHTWIQSA-N 1 3 351.441 2.655 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401298 986116994 /nfs/dbraw/zinc/11/69/94/986116994.db2.gz KXMBFGNLQHBCJB-QHEKZVFSSA-N 1 3 365.562 2.526 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401298 986117001 /nfs/dbraw/zinc/11/70/01/986117001.db2.gz KXMBFGNLQHBCJB-QHEKZVFSSA-N 1 3 365.562 2.526 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001007377464 1015212491 /nfs/dbraw/zinc/21/24/91/1015212491.db2.gz VGBVTPWXRJNFET-AYOQOUSVSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001007377464 1015212493 /nfs/dbraw/zinc/21/24/93/1015212493.db2.gz VGBVTPWXRJNFET-AYOQOUSVSA-N 1 3 354.498 2.589 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000913858042 986973655 /nfs/dbraw/zinc/97/36/55/986973655.db2.gz CCJROYKXPDQGGS-PMACEKPBSA-N 1 3 369.513 2.677 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN([C@@H]3CCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001002861177 987547398 /nfs/dbraw/zinc/54/73/98/987547398.db2.gz UOSWQLBBIFSEQL-LXGCGDOSSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN([C@@H]3CCc4ccc(F)cc43)CC2)CC[N@H+]1C ZINC001002861177 987547405 /nfs/dbraw/zinc/54/74/05/987547405.db2.gz UOSWQLBBIFSEQL-LXGCGDOSSA-N 1 3 359.489 2.734 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC000922389736 988538393 /nfs/dbraw/zinc/53/83/93/988538393.db2.gz JRTQQLZPKNVORQ-TVFCKZIOSA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC000922389736 988538396 /nfs/dbraw/zinc/53/83/96/988538396.db2.gz JRTQQLZPKNVORQ-TVFCKZIOSA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC000922391721 988549514 /nfs/dbraw/zinc/54/95/14/988549514.db2.gz YPIHCYNSMRNRKE-YWTNHNAXSA-N 1 3 372.431 2.996 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC000922391721 988549516 /nfs/dbraw/zinc/54/95/16/988549516.db2.gz YPIHCYNSMRNRKE-YWTNHNAXSA-N 1 3 372.431 2.996 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccnn3CC3CCC3)C2)[C@@H]1C(C)C ZINC000922396134 988564186 /nfs/dbraw/zinc/56/41/86/988564186.db2.gz VFHHVVOTCXZEER-CGXNFDGLSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccnn3CC3CCC3)C2)[C@@H]1C(C)C ZINC000922396134 988564196 /nfs/dbraw/zinc/56/41/96/988564196.db2.gz VFHHVVOTCXZEER-CGXNFDGLSA-N 1 3 360.546 2.643 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1 ZINC001106663068 988599120 /nfs/dbraw/zinc/59/91/20/988599120.db2.gz QGGJAJSJLRDBPL-ALHDMTEFSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1 ZINC001106665139 988608184 /nfs/dbraw/zinc/60/81/84/988608184.db2.gz JCWSJWRHRKXEDM-ZHALLVOQSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001106673388 988624544 /nfs/dbraw/zinc/62/45/44/988624544.db2.gz XMYJZEZYKANRLS-GDBMZVCRSA-N 1 3 359.505 2.694 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001106705111 988727824 /nfs/dbraw/zinc/72/78/24/988727824.db2.gz RMWQLAKXAFVIDX-GDBMZVCRSA-N 1 3 360.889 2.532 20 0 FFADHO CN1CCCC[C@H]1CC[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879225005 1015418298 /nfs/dbraw/zinc/41/82/98/1015418298.db2.gz NYXZLRAODAZOQT-KRWDZBQOSA-N 1 3 369.550 2.555 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000763058637 989002261 /nfs/dbraw/zinc/00/22/61/989002261.db2.gz QDVALUCDWMQRBU-OAQYLSRUSA-N 1 3 355.526 2.985 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000763058637 989002272 /nfs/dbraw/zinc/00/22/72/989002272.db2.gz QDVALUCDWMQRBU-OAQYLSRUSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3oc(C)nc3C)CC2)CC[N@@H+]1C ZINC001034649072 990152634 /nfs/dbraw/zinc/15/26/34/990152634.db2.gz DSZRTJAYZVITJU-XLAORIBOSA-N 1 3 362.518 2.539 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3oc(C)nc3C)CC2)CC[N@H+]1C ZINC001034649072 990152639 /nfs/dbraw/zinc/15/26/39/990152639.db2.gz DSZRTJAYZVITJU-XLAORIBOSA-N 1 3 362.518 2.539 20 0 FFADHO Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000675821649 990389751 /nfs/dbraw/zinc/38/97/51/990389751.db2.gz KNEBDIVIBKKFQQ-IEBWSBKVSA-N 1 3 359.514 2.694 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000675824902 990390849 /nfs/dbraw/zinc/39/08/49/990390849.db2.gz JVOLYJSXGXKZHA-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000675824902 990390854 /nfs/dbraw/zinc/39/08/54/990390854.db2.gz JVOLYJSXGXKZHA-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](CCN1CCC[C@H](c2cc[nH]n2)C1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000676250804 990525994 /nfs/dbraw/zinc/52/59/94/990525994.db2.gz WHCPKZJZKJJRTQ-FGTMMUONSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CCN1CCC[C@H](c2cc[nH]n2)C1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000676250804 990526001 /nfs/dbraw/zinc/52/60/01/990526001.db2.gz WHCPKZJZKJJRTQ-FGTMMUONSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000676250804 990526008 /nfs/dbraw/zinc/52/60/08/990526008.db2.gz WHCPKZJZKJJRTQ-FGTMMUONSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000676250804 990526014 /nfs/dbraw/zinc/52/60/14/990526014.db2.gz WHCPKZJZKJJRTQ-FGTMMUONSA-N 1 3 356.518 2.970 20 0 FFADHO CCC[C@H](NC(=O)[C@H](C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923456912 991152569 /nfs/dbraw/zinc/15/25/69/991152569.db2.gz RNJDAWQXOKBRJS-SXLOBPIMSA-N 1 3 373.541 2.862 20 0 FFADHO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923493446 991186926 /nfs/dbraw/zinc/18/69/26/991186926.db2.gz UXTLJDRNWHFSKX-QZTJIDSGSA-N 1 3 351.494 2.951 20 0 FFADHO N[C@@H](CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000237903619 991383883 /nfs/dbraw/zinc/38/38/83/991383883.db2.gz VRDGOIACUHCTRA-WMZOPIPTSA-N 1 3 367.449 2.624 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1 ZINC001106910904 991537095 /nfs/dbraw/zinc/53/70/95/991537095.db2.gz VBSLANWNBBEUHW-HUUCEWRRSA-N 1 3 351.457 2.745 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(CC)cc2)[C@H](C)C1 ZINC001106910959 991542348 /nfs/dbraw/zinc/54/23/48/991542348.db2.gz XHYKYEVKXCOXEN-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079153341 991819025 /nfs/dbraw/zinc/81/90/25/991819025.db2.gz BBHBPIJKNYWGDC-VQTJNVASSA-N 1 3 361.505 2.994 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1cccc(F)c1 ZINC001079211257 991874906 /nfs/dbraw/zinc/87/49/06/991874906.db2.gz YTNYIEYKELCKKY-XUVXKRRUSA-N 1 3 361.505 2.994 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079182492 991890918 /nfs/dbraw/zinc/89/09/18/991890918.db2.gz LLLSXEHBSGTPFZ-ZCNNSNEGSA-N 1 3 361.505 2.993 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)NCC2CN(CC3=CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC001031993364 992541034 /nfs/dbraw/zinc/54/10/34/992541034.db2.gz JIUCZDOZQSKEOS-YADHBBJMSA-N 1 3 367.537 2.880 20 0 FFADHO C[N@H+]1C[C@H](C(=O)NCC2CN(CC3=CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC001031993364 992541042 /nfs/dbraw/zinc/54/10/42/992541042.db2.gz JIUCZDOZQSKEOS-YADHBBJMSA-N 1 3 367.537 2.880 20 0 FFADHO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000671120126 992649987 /nfs/dbraw/zinc/64/99/87/992649987.db2.gz OLXBJSFWFAIMSB-MXEMCNAFSA-N 1 3 353.514 2.947 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)c1 ZINC001080188450 992806662 /nfs/dbraw/zinc/80/66/62/992806662.db2.gz HFUMNFFHXQWHSG-DUXKGJEZSA-N 1 3 355.526 2.806 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)c1 ZINC001080188450 992806667 /nfs/dbraw/zinc/80/66/67/992806667.db2.gz HFUMNFFHXQWHSG-DUXKGJEZSA-N 1 3 355.526 2.806 20 0 FFADHO Cc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001080188450 992806674 /nfs/dbraw/zinc/80/66/74/992806674.db2.gz HFUMNFFHXQWHSG-DUXKGJEZSA-N 1 3 355.526 2.806 20 0 FFADHO CO[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1)C1CCCC1 ZINC001080254836 992892353 /nfs/dbraw/zinc/89/23/53/992892353.db2.gz IDIBKSGMTNUXJH-BHIYHBOVSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N2CCCC2)C1)C1CCCC1 ZINC001080254836 992892363 /nfs/dbraw/zinc/89/23/63/992892363.db2.gz IDIBKSGMTNUXJH-BHIYHBOVSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383689 993002409 /nfs/dbraw/zinc/00/24/09/993002409.db2.gz RBPFDGBAGBLNOV-XMCHAPAWSA-N 1 3 359.489 2.591 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001080441233 993059322 /nfs/dbraw/zinc/05/93/22/993059322.db2.gz FWOJJGUMACERNR-WRWLIDTKSA-N 1 3 353.526 2.826 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001080441233 993059328 /nfs/dbraw/zinc/05/93/28/993059328.db2.gz FWOJJGUMACERNR-WRWLIDTKSA-N 1 3 353.526 2.826 20 0 FFADHO C[C@H]1CN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC000880258163 1015791543 /nfs/dbraw/zinc/79/15/43/1015791543.db2.gz DKNNRTPNQJDVIS-ZWKOTPCHSA-N 1 3 358.530 2.877 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001081097806 993639938 /nfs/dbraw/zinc/63/99/38/993639938.db2.gz GHBWCXYALZKFAQ-ZCNNSNEGSA-N 1 3 369.534 2.927 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001131511947 994354534 /nfs/dbraw/zinc/35/45/34/994354534.db2.gz FDWAJPDZLMEOMW-QRQLOZEOSA-N 1 3 365.562 2.503 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001131512220 994355525 /nfs/dbraw/zinc/35/55/25/994355525.db2.gz SVJJFCVWNJPQPB-MOPGFXCFSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001082522584 994815663 /nfs/dbraw/zinc/81/56/63/994815663.db2.gz QPOKSUVXLFEXKH-MCYKXBRJSA-N 1 3 361.505 2.801 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001082522584 994815680 /nfs/dbraw/zinc/81/56/80/994815680.db2.gz QPOKSUVXLFEXKH-MCYKXBRJSA-N 1 3 361.505 2.801 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001082544584 994886999 /nfs/dbraw/zinc/88/69/99/994886999.db2.gz JPEKDNQAJDSMNF-AHRSYUTCSA-N 1 3 361.505 2.945 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001082544584 994887009 /nfs/dbraw/zinc/88/70/09/994887009.db2.gz JPEKDNQAJDSMNF-AHRSYUTCSA-N 1 3 361.505 2.945 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001082544961 994889312 /nfs/dbraw/zinc/88/93/12/994889312.db2.gz ZDJHMEHXEMSXKG-OIISXLGYSA-N 1 3 364.921 2.546 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001082544961 994889323 /nfs/dbraw/zinc/88/93/23/994889323.db2.gz ZDJHMEHXEMSXKG-OIISXLGYSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001082561648 994944491 /nfs/dbraw/zinc/94/44/91/994944491.db2.gz HUOCBFDHNKINQZ-VOBQZIQPSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1cc2ccccc2o1 ZINC001082617408 995082514 /nfs/dbraw/zinc/08/25/14/995082514.db2.gz RIKRXGTULIXKNM-VQIMIIECSA-N 1 3 367.493 2.998 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1NCc1ccccn1 ZINC001082699717 995297947 /nfs/dbraw/zinc/29/79/47/995297947.db2.gz SIBFDFPNDJFQQT-DUXKGJEZSA-N 1 3 370.541 2.815 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1NCc1ccccn1 ZINC001082699717 995297956 /nfs/dbraw/zinc/29/79/56/995297956.db2.gz SIBFDFPNDJFQQT-DUXKGJEZSA-N 1 3 370.541 2.815 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCC(F)(F)CC3)C2)C1 ZINC001082742887 995400545 /nfs/dbraw/zinc/40/05/45/995400545.db2.gz VRMHOVCFYYJQED-BFYDXBDKSA-N 1 3 357.489 2.590 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001082941951 995877613 /nfs/dbraw/zinc/87/76/13/995877613.db2.gz VTQLREXBDQBORC-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C2CC2)C1 ZINC001096539090 1016005082 /nfs/dbraw/zinc/00/50/82/1016005082.db2.gz UYTYATBDVCGNOV-YHELAOLJSA-N 1 3 353.510 2.737 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2C2CC2)C1 ZINC001096539090 1016005093 /nfs/dbraw/zinc/00/50/93/1016005093.db2.gz UYTYATBDVCGNOV-YHELAOLJSA-N 1 3 353.510 2.737 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001084347266 996475467 /nfs/dbraw/zinc/47/54/67/996475467.db2.gz LOADOFZYRJIICM-BHIFYINESA-N 1 3 367.537 2.624 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1C ZINC001084349461 996476920 /nfs/dbraw/zinc/47/69/20/996476920.db2.gz MXLBFVVHGKJKNP-YPAWHYETSA-N 1 3 367.537 2.678 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)c(C)c1 ZINC001084355182 996482158 /nfs/dbraw/zinc/48/21/58/996482158.db2.gz JRRGTTBACLGIDQ-CWJKEVGVSA-N 1 3 355.526 2.676 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)c(C)c1 ZINC001084355182 996482160 /nfs/dbraw/zinc/48/21/60/996482160.db2.gz JRRGTTBACLGIDQ-CWJKEVGVSA-N 1 3 355.526 2.676 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084428959 996527735 /nfs/dbraw/zinc/52/77/35/996527735.db2.gz DVGLOUNIMLDVLN-NRSPTQNISA-N 1 3 357.542 2.922 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084428959 996527741 /nfs/dbraw/zinc/52/77/41/996527741.db2.gz DVGLOUNIMLDVLN-NRSPTQNISA-N 1 3 357.542 2.922 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)C1 ZINC001084403398 996545584 /nfs/dbraw/zinc/54/55/84/996545584.db2.gz SGGBJCFXBXQPLP-FGTMMUONSA-N 1 3 369.500 2.542 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)C1 ZINC001084403398 996545587 /nfs/dbraw/zinc/54/55/87/996545587.db2.gz SGGBJCFXBXQPLP-FGTMMUONSA-N 1 3 369.500 2.542 20 0 FFADHO Cc1ccn2c(CN3CCC(COCC[NH+]4CCCC4)CC3)cnc2c1 ZINC001136885308 996977496 /nfs/dbraw/zinc/97/74/96/996977496.db2.gz PFHZQNFZSQQOBR-UHFFFAOYSA-N 1 3 356.514 2.967 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC(F)(F)C3)C[C@H]21 ZINC001084701758 996985123 /nfs/dbraw/zinc/98/51/23/996985123.db2.gz QJOKJDYISCQMEO-KZNAEPCWSA-N 1 3 369.500 2.827 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C[C@H]21 ZINC001084701758 996985135 /nfs/dbraw/zinc/98/51/35/996985135.db2.gz QJOKJDYISCQMEO-KZNAEPCWSA-N 1 3 369.500 2.827 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC(F)(F)C3)C[C@H]21 ZINC001084701757 996985430 /nfs/dbraw/zinc/98/54/30/996985430.db2.gz QJOKJDYISCQMEO-FGTMMUONSA-N 1 3 369.500 2.827 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C[C@H]21 ZINC001084701757 996985435 /nfs/dbraw/zinc/98/54/35/996985435.db2.gz QJOKJDYISCQMEO-FGTMMUONSA-N 1 3 369.500 2.827 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773474 997297420 /nfs/dbraw/zinc/29/74/20/997297420.db2.gz QWRILMCEAPGULB-IOMROCGXSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773474 997297431 /nfs/dbraw/zinc/29/74/31/997297431.db2.gz QWRILMCEAPGULB-IOMROCGXSA-N 1 3 355.526 2.624 20 0 FFADHO COc1cc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1OC(F)F ZINC000903717947 1016150023 /nfs/dbraw/zinc/15/00/23/1016150023.db2.gz GJKYWLNEQSZOSJ-OAHLLOKOSA-N 1 3 370.440 2.887 20 0 FFADHO Cc1ccc(C(=O)C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c(C)c1 ZINC000903722271 1016154872 /nfs/dbraw/zinc/15/48/72/1016154872.db2.gz JYWPZKQTXDNQMP-DENIHFKCSA-N 1 3 356.510 2.967 20 0 FFADHO COc1ccc(Cl)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1F ZINC001143899081 997790297 /nfs/dbraw/zinc/79/02/97/997790297.db2.gz JNCHUMXRMPEPAZ-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881133180 1016168739 /nfs/dbraw/zinc/16/87/39/1016168739.db2.gz SGRNMGHOKRRHRF-FQEVSTJZSA-N 1 3 373.545 2.775 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000881133180 1016168745 /nfs/dbraw/zinc/16/87/45/1016168745.db2.gz SGRNMGHOKRRHRF-FQEVSTJZSA-N 1 3 373.545 2.775 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903759555 1016181048 /nfs/dbraw/zinc/18/10/48/1016181048.db2.gz AHEPHLDMQAJHMO-UXHICEINSA-N 1 3 356.514 2.530 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1)N(C)C ZINC001084964876 998400514 /nfs/dbraw/zinc/40/05/14/998400514.db2.gz VVTJQOCFCNIMTB-IKGGRYGDSA-N 1 3 357.489 2.541 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1)N(C)C ZINC001084964876 998400529 /nfs/dbraw/zinc/40/05/29/998400529.db2.gz VVTJQOCFCNIMTB-IKGGRYGDSA-N 1 3 357.489 2.541 20 0 FFADHO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1(CN)CCOCC1 ZINC000903808844 1016221825 /nfs/dbraw/zinc/22/18/25/1016221825.db2.gz WXIZOOQLVONMRW-UHFFFAOYSA-N 1 3 350.466 2.941 20 0 FFADHO C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1(CN)CCOCC1 ZINC000903808844 1016221829 /nfs/dbraw/zinc/22/18/29/1016221829.db2.gz WXIZOOQLVONMRW-UHFFFAOYSA-N 1 3 350.466 2.941 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccnc3C(F)(F)F)CC2)CC1 ZINC001144561638 998651595 /nfs/dbraw/zinc/65/15/95/998651595.db2.gz ZFFIFUFPOGTKMD-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1)N1CCCCC1 ZINC001085198270 999141944 /nfs/dbraw/zinc/14/19/44/999141944.db2.gz LIIIIRFELJSPMI-IPMKNSEASA-N 1 3 365.562 2.695 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001085217680 999184936 /nfs/dbraw/zinc/18/49/36/999184936.db2.gz LOAZTDPWTKQRDD-QRVBRYPASA-N 1 3 362.493 2.612 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085224820 999194141 /nfs/dbraw/zinc/19/41/41/999194141.db2.gz XBNPBWKULKHBGU-CGTJXYLNSA-N 1 3 364.559 2.638 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085224820 999194143 /nfs/dbraw/zinc/19/41/43/999194143.db2.gz XBNPBWKULKHBGU-CGTJXYLNSA-N 1 3 364.559 2.638 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1cncs1)C12CCC[NH+](CCC1)C2 ZINC001085242494 999247295 /nfs/dbraw/zinc/24/72/95/999247295.db2.gz UDUWXNRILAFOMK-IAGOWNOFSA-N 1 3 362.543 2.536 20 0 FFADHO Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)c(C)o1 ZINC001085260209 999273528 /nfs/dbraw/zinc/27/35/28/999273528.db2.gz AIHWDLSSCRSYPW-QZTJIDSGSA-N 1 3 367.453 2.770 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)n2)CC1 ZINC001085319596 999356373 /nfs/dbraw/zinc/35/63/73/999356373.db2.gz FBKSXXDQXWONDQ-IAGOWNOFSA-N 1 3 364.921 2.594 20 0 FFADHO CCc1ccc(CCN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001085606760 999588518 /nfs/dbraw/zinc/58/85/18/999588518.db2.gz XFKMDZCXPAAGER-DUXKGJEZSA-N 1 3 357.542 2.664 20 0 FFADHO CCc1ccc(CCN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001085606760 999588522 /nfs/dbraw/zinc/58/85/22/999588522.db2.gz XFKMDZCXPAAGER-DUXKGJEZSA-N 1 3 357.542 2.664 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC34CC[NH+](C)CC4)cc2)CC1 ZINC000742186199 999763428 /nfs/dbraw/zinc/76/34/28/999763428.db2.gz YIAWQHQQTQQQDT-UHFFFAOYSA-N 1 3 370.541 2.527 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000743028533 999796755 /nfs/dbraw/zinc/79/67/55/999796755.db2.gz WQJVVHBBZMJIPB-FQEVSTJZSA-N 1 3 374.598 2.942 20 0 FFADHO COc1cccc2cc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)oc21 ZINC000903980124 1016355555 /nfs/dbraw/zinc/35/55/55/1016355555.db2.gz IRHAMYARBRCUAM-HDICACEKSA-N 1 3 355.482 2.842 20 0 FFADHO CCC[NH+]1CCC(N[C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168890646 1000003662 /nfs/dbraw/zinc/00/36/62/1000003662.db2.gz BXWQDVKTZQRWLF-LJQANCHMSA-N 1 3 359.514 2.650 20 0 FFADHO CCN(CC)Cc1cccc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c1F ZINC001168883319 1000006751 /nfs/dbraw/zinc/00/67/51/1000006751.db2.gz JQMJHUPKQOOORZ-UHFFFAOYSA-N 1 3 354.433 2.769 20 0 FFADHO COc1ccc(CN2CC[C@H]([NH+]3CCC(N(C)C4CC4)CC3)CC2=O)cc1 ZINC001168950651 1000011424 /nfs/dbraw/zinc/01/14/24/1000011424.db2.gz YZLJKBOEJYXJAA-FQEVSTJZSA-N 1 3 371.525 2.745 20 0 FFADHO COc1ccc(CCN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC001169108863 1000025745 /nfs/dbraw/zinc/02/57/45/1000025745.db2.gz DIAYUAVLXQIZSG-WKCHPHFGSA-N 1 3 357.542 2.917 20 0 FFADHO CC(=O)N1CCC[C@H]([NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)C1 ZINC001169605953 1000061834 /nfs/dbraw/zinc/06/18/34/1000061834.db2.gz NHEAGWUWZUWLDY-ICSRJNTNSA-N 1 3 359.514 2.967 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCc1ccccc1)CCN(C)C ZINC000846203951 1000230111 /nfs/dbraw/zinc/23/01/11/1000230111.db2.gz IZHKSMIOZVYGLY-UHFFFAOYSA-N 1 3 368.525 2.722 20 0 FFADHO Cc1ccc(N2CCC[C@H](N3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)C2=O)cc1 ZINC000846224981 1000235439 /nfs/dbraw/zinc/23/54/39/1000235439.db2.gz HAJGOQMRWZGDNM-YHELAOLJSA-N 1 3 371.525 2.709 20 0 FFADHO C[N@H+](C1CCOCC1)C1CCN(C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170005154 1000492875 /nfs/dbraw/zinc/49/28/75/1000492875.db2.gz OBCXYPJYFUSTNW-UHFFFAOYSA-N 1 3 353.551 2.972 20 0 FFADHO C[N@@H+](C1CCOCC1)C1CCN(C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170005154 1000492880 /nfs/dbraw/zinc/49/28/80/1000492880.db2.gz OBCXYPJYFUSTNW-UHFFFAOYSA-N 1 3 353.551 2.972 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCC3=CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737298 1001182437 /nfs/dbraw/zinc/18/24/37/1001182437.db2.gz DJMWUCHJPQJSSY-URVUXULASA-N 1 3 359.558 2.997 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737298 1001182444 /nfs/dbraw/zinc/18/24/44/1001182444.db2.gz DJMWUCHJPQJSSY-URVUXULASA-N 1 3 359.558 2.997 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@]2(C)C1)C1CCC1 ZINC001091740983 1001188008 /nfs/dbraw/zinc/18/80/08/1001188008.db2.gz VAEBFGRKYAFCGT-UTKZUKDTSA-N 1 3 359.489 2.590 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@]2(C)C1)C1CCC1 ZINC001091740983 1001188012 /nfs/dbraw/zinc/18/80/12/1001188012.db2.gz VAEBFGRKYAFCGT-UTKZUKDTSA-N 1 3 359.489 2.590 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)cc1 ZINC001091743231 1001196262 /nfs/dbraw/zinc/19/62/62/1001196262.db2.gz MXMPZCDTRZAZCH-OFNKIYASSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)cc1 ZINC001091743231 1001196264 /nfs/dbraw/zinc/19/62/64/1001196264.db2.gz MXMPZCDTRZAZCH-OFNKIYASSA-N 1 3 369.553 2.802 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)C1 ZINC001109976261 1001223205 /nfs/dbraw/zinc/22/32/05/1001223205.db2.gz ZHKLEZHFRUPOLI-QCFAMHMHSA-N 1 3 371.525 2.519 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)C1 ZINC001109976261 1001223208 /nfs/dbraw/zinc/22/32/08/1001223208.db2.gz ZHKLEZHFRUPOLI-QCFAMHMHSA-N 1 3 371.525 2.519 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3C)C[C@@]2(C)C1)N(C)C ZINC001091780247 1001904299 /nfs/dbraw/zinc/90/42/99/1001904299.db2.gz BFZAUAOGEVBJFU-QFUCXCTJSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@@]2(C)C1)N(C)C ZINC001091780247 1001904310 /nfs/dbraw/zinc/90/43/10/1001904310.db2.gz BFZAUAOGEVBJFU-QFUCXCTJSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCCc3ccsc3)C[C@@]2(C)C1)N(C)C ZINC001091780347 1001905494 /nfs/dbraw/zinc/90/54/94/1001905494.db2.gz GTNYPJSXDSDSAC-GGPKGHCWSA-N 1 3 363.571 2.801 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCc3ccsc3)C[C@@]2(C)C1)N(C)C ZINC001091780347 1001905501 /nfs/dbraw/zinc/90/55/01/1001905501.db2.gz GTNYPJSXDSDSAC-GGPKGHCWSA-N 1 3 363.571 2.801 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@]3(C)C2)cc1 ZINC001091782739 1001909158 /nfs/dbraw/zinc/90/91/58/1001909158.db2.gz BSDBRNNTFDNKAX-SJBKTWHCSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@]3(C)C2)cc1 ZINC001091782739 1001909163 /nfs/dbraw/zinc/90/91/63/1001909163.db2.gz BSDBRNNTFDNKAX-SJBKTWHCSA-N 1 3 357.542 2.870 20 0 FFADHO CNC(=O)[C@@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182470694 1001926446 /nfs/dbraw/zinc/92/64/46/1001926446.db2.gz QMVBJBQSSVINKZ-DENIHFKCSA-N 1 3 357.542 2.993 20 0 FFADHO CNC(=O)[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182470694 1001926455 /nfs/dbraw/zinc/92/64/55/1001926455.db2.gz QMVBJBQSSVINKZ-DENIHFKCSA-N 1 3 357.542 2.993 20 0 FFADHO O=C(NCCN1CCC(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182557320 1001948301 /nfs/dbraw/zinc/94/83/01/1001948301.db2.gz GNOSDZVXWTWZLP-QFIPXVFZSA-N 1 3 369.553 2.932 20 0 FFADHO O=C(NCCN1CCC(Cc2ccccc2)CC1)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182557320 1001948313 /nfs/dbraw/zinc/94/83/13/1001948313.db2.gz GNOSDZVXWTWZLP-QFIPXVFZSA-N 1 3 369.553 2.932 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]3(C)C2)cc1 ZINC001091984745 1002177979 /nfs/dbraw/zinc/17/79/79/1002177979.db2.gz CDDDKDVVTFASAG-SJBKTWHCSA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]3(C)C2)cc1 ZINC001091984745 1002177985 /nfs/dbraw/zinc/17/79/85/1002177985.db2.gz CDDDKDVVTFASAG-SJBKTWHCSA-N 1 3 357.542 2.862 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@]3(C)C2)c1 ZINC001092010534 1002276737 /nfs/dbraw/zinc/27/67/37/1002276737.db2.gz GNIFWRBMRRICHH-UZKOGDIHSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@]3(C)C2)c1 ZINC001092010534 1002276744 /nfs/dbraw/zinc/27/67/44/1002276744.db2.gz GNIFWRBMRRICHH-UZKOGDIHSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@]3(C)C2)cs1 ZINC001092011232 1002280242 /nfs/dbraw/zinc/28/02/42/1002280242.db2.gz UJRNNVSUZGHEMN-ZTNFWEORSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@]3(C)C2)cs1 ZINC001092011232 1002280251 /nfs/dbraw/zinc/28/02/51/1002280251.db2.gz UJRNNVSUZGHEMN-ZTNFWEORSA-N 1 3 361.555 2.821 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3C[N@H+](CCC4CC4)C[C@@]3(C)C2)C1 ZINC001092013348 1002285183 /nfs/dbraw/zinc/28/51/83/1002285183.db2.gz ODHLHLVSBIFZAK-JRGCBEDISA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3C[N@@H+](CCC4CC4)C[C@@]3(C)C2)C1 ZINC001092013348 1002285190 /nfs/dbraw/zinc/28/51/90/1002285190.db2.gz ODHLHLVSBIFZAK-JRGCBEDISA-N 1 3 365.537 2.779 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC001092071078 1002365854 /nfs/dbraw/zinc/36/58/54/1002365854.db2.gz FVBNNCNXDFDREY-POTLKAILSA-N 1 3 353.938 2.784 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC001092071387 1002369681 /nfs/dbraw/zinc/36/96/81/1002369681.db2.gz TZJKLVIENZYDIP-HOIPZNBPSA-N 1 3 353.938 2.782 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC001092071387 1002369693 /nfs/dbraw/zinc/36/96/93/1002369693.db2.gz TZJKLVIENZYDIP-HOIPZNBPSA-N 1 3 353.938 2.782 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001092301774 1002632846 /nfs/dbraw/zinc/63/28/46/1002632846.db2.gz MTELQWFVBBTKRP-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001092301774 1002632850 /nfs/dbraw/zinc/63/28/50/1002632850.db2.gz MTELQWFVBBTKRP-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCCC1 ZINC001273500203 1002884662 /nfs/dbraw/zinc/88/46/62/1002884662.db2.gz FOSWYMXKIZFSOE-XYTVBORESA-N 1 3 362.543 2.547 20 0 FFADHO C[C@@H](C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O)C(F)(F)F ZINC001276284996 1016716359 /nfs/dbraw/zinc/71/63/59/1016716359.db2.gz KRHXGQSBBZRCON-KSSFIOAISA-N 1 3 369.431 2.737 20 0 FFADHO C[C@@H](C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O)C(F)(F)F ZINC001276284996 1016716370 /nfs/dbraw/zinc/71/63/70/1016716370.db2.gz KRHXGQSBBZRCON-KSSFIOAISA-N 1 3 369.431 2.737 20 0 FFADHO C[NH+]1CCC(CN2CCN([C@H]3CCc4c(F)cc(F)cc4C3)CC2)CC1 ZINC001171381064 1003196614 /nfs/dbraw/zinc/19/66/14/1003196614.db2.gz AQMLQWOJBHFLEB-IBGZPJMESA-N 1 3 363.496 2.782 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092603065 1003211226 /nfs/dbraw/zinc/21/12/26/1003211226.db2.gz SPCRROPMRYAVPC-DJIMGWMZSA-N 1 3 357.489 2.589 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092603065 1003211236 /nfs/dbraw/zinc/21/12/36/1003211236.db2.gz SPCRROPMRYAVPC-DJIMGWMZSA-N 1 3 357.489 2.589 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCCC[C@@H](C)C3)cc2)CC1 ZINC000775729758 1003847734 /nfs/dbraw/zinc/84/77/34/1003847734.db2.gz RDJSTWYJZYVVAI-GOSISDBHSA-N 1 3 358.530 2.889 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCCC[C@@H](C)C3)cc2)CC1 ZINC000775729758 1003847751 /nfs/dbraw/zinc/84/77/51/1003847751.db2.gz RDJSTWYJZYVVAI-GOSISDBHSA-N 1 3 358.530 2.889 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N(C1CCCC1)C1CCN(C)CC1 ZINC001196682844 1003899218 /nfs/dbraw/zinc/89/92/18/1003899218.db2.gz XIFMTIFCPBHRPM-UHFFFAOYSA-N 1 3 354.608 2.932 20 0 FFADHO COc1c(C)ncnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170524528 1004591790 /nfs/dbraw/zinc/59/17/90/1004591790.db2.gz AQPNPJOXQXPIAZ-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO COC(=O)COc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000775982563 1004948151 /nfs/dbraw/zinc/94/81/51/1004948151.db2.gz BEMFDQJFNJKFEO-UHFFFAOYSA-N 1 3 356.466 2.932 20 0 FFADHO CCN1CC[C@H](N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC001195659849 1005018976 /nfs/dbraw/zinc/01/89/76/1005018976.db2.gz SPVLNTQCPYSUED-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001488966010 1005387784 /nfs/dbraw/zinc/38/77/84/1005387784.db2.gz MTOVYGKPVGQXSQ-PKOBYXMFSA-N 1 3 354.498 2.952 20 0 FFADHO CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC001489023034 1005396457 /nfs/dbraw/zinc/39/64/57/1005396457.db2.gz UYGGCZNFRPUKGE-MISYRCLQSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1cnccc1C ZINC001489148124 1005423984 /nfs/dbraw/zinc/42/39/84/1005423984.db2.gz YPWIFAYFZHJOBK-VQTJNVASSA-N 1 3 358.530 2.735 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1)C12CCCN1CCC2 ZINC001095684410 1016985998 /nfs/dbraw/zinc/98/59/98/1016985998.db2.gz CUBQMWBJPGNJMA-QYZOEREBSA-N 1 3 357.542 2.917 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1)C12CCCN1CCC2 ZINC001095684410 1016986008 /nfs/dbraw/zinc/98/60/08/1016986008.db2.gz CUBQMWBJPGNJMA-QYZOEREBSA-N 1 3 357.542 2.917 20 0 FFADHO CCCCCC[C@](O)(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC ZINC000851859983 1005918591 /nfs/dbraw/zinc/91/85/91/1005918591.db2.gz DBDIQVICFAMSBW-CUWPLCDZSA-N 1 3 366.546 2.810 20 0 FFADHO CCCCCC[C@](O)(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC ZINC000851859983 1005918592 /nfs/dbraw/zinc/91/85/92/1005918592.db2.gz DBDIQVICFAMSBW-CUWPLCDZSA-N 1 3 366.546 2.810 20 0 FFADHO c1ncn2c1CN(CCCCCCCC[N@@H+]1CCn3cncc3C1)CC2 ZINC000852066203 1005938384 /nfs/dbraw/zinc/93/83/84/1005938384.db2.gz PASDCJLZUJMFIN-UHFFFAOYSA-N 1 3 356.518 2.752 20 0 FFADHO c1ncn2c1CN(CCCCCCCC[N@H+]1CCn3cncc3C1)CC2 ZINC000852066203 1005938386 /nfs/dbraw/zinc/93/83/86/1005938386.db2.gz PASDCJLZUJMFIN-UHFFFAOYSA-N 1 3 356.518 2.752 20 0 FFADHO COCCN1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000813790646 1006040702 /nfs/dbraw/zinc/04/07/02/1006040702.db2.gz UBCKKJSIQBNYOT-MJLAPFRSSA-N 1 3 357.542 2.882 20 0 FFADHO c1cc2cnc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)nc2[nH]1 ZINC001170718125 1006093035 /nfs/dbraw/zinc/09/30/35/1006093035.db2.gz KABLLJKKPYMGIQ-IYARVYRRSA-N 1 3 354.502 2.660 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)CC1 ZINC001188964171 1006824807 /nfs/dbraw/zinc/82/48/07/1006824807.db2.gz XUGZMCYVLWQWPO-PKOBYXMFSA-N 1 3 367.493 2.807 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C/C=C\c3ccc(Cl)cc3)C[C@H]21 ZINC001189055655 1006872069 /nfs/dbraw/zinc/87/20/69/1006872069.db2.gz YNTNWGNDHCNAAY-VKCQWTKXSA-N 1 3 361.917 2.838 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001116257316 1032221397 /nfs/dbraw/zinc/22/13/97/1032221397.db2.gz MXNSENVMMHYJDS-MDNKFWRPSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@]1(C[NH3+])CCCN(Cc2c[nH]c3ncc(Br)nc23)CC1 ZINC001206327125 1032230538 /nfs/dbraw/zinc/23/05/38/1032230538.db2.gz SQNRZEFSYRHHKO-OAHLLOKOSA-N 1 3 352.280 2.671 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001190323682 1007581941 /nfs/dbraw/zinc/58/19/41/1007581941.db2.gz BDTDXVXSIUOOJT-PZJWPPBQSA-N 1 3 371.525 2.604 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)ccc1OC ZINC000775381604 1007607119 /nfs/dbraw/zinc/60/71/19/1007607119.db2.gz TWCJIYXNGVHTAD-ZWKOTPCHSA-N 1 3 363.546 2.908 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCc3cnn(C)c3)C2)ccn1 ZINC000856599163 1007910755 /nfs/dbraw/zinc/91/07/55/1007910755.db2.gz GGXSGHYSWZIBTH-NRFANRHFSA-N 1 3 371.529 2.741 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCc3cnn(C)c3)C2)ccn1 ZINC000856599163 1007910760 /nfs/dbraw/zinc/91/07/60/1007910760.db2.gz GGXSGHYSWZIBTH-NRFANRHFSA-N 1 3 371.529 2.741 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819086231 1008030518 /nfs/dbraw/zinc/03/05/18/1008030518.db2.gz ZBXUBZPVCIPADR-KBXCAEBGSA-N 1 3 372.431 2.829 20 0 FFADHO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000819122847 1008048724 /nfs/dbraw/zinc/04/87/24/1008048724.db2.gz ZSNVFXWVLPOLRS-QFIPXVFZSA-N 1 3 372.484 2.914 20 0 FFADHO CC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886524023 1008717642 /nfs/dbraw/zinc/71/76/42/1008717642.db2.gz AXOCLIZDWBXKOR-FKBYEOEOSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000886588155 1008756711 /nfs/dbraw/zinc/75/67/11/1008756711.db2.gz LYXAGQKJPKJYRB-NHCUHLMSSA-N 1 3 356.514 2.864 20 0 FFADHO CC(C)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000886588155 1008756722 /nfs/dbraw/zinc/75/67/22/1008756722.db2.gz LYXAGQKJPKJYRB-NHCUHLMSSA-N 1 3 356.514 2.864 20 0 FFADHO O=C1O[C@@H](CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000886634963 1008786335 /nfs/dbraw/zinc/78/63/35/1008786335.db2.gz RMGABULDNKEMRZ-HNJRGHQBSA-N 1 3 355.482 2.612 20 0 FFADHO O=C1O[C@@H](CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000886634963 1008786348 /nfs/dbraw/zinc/78/63/48/1008786348.db2.gz RMGABULDNKEMRZ-HNJRGHQBSA-N 1 3 355.482 2.612 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC001178170629 1008912068 /nfs/dbraw/zinc/91/20/68/1008912068.db2.gz LUFUPVPDUJVWPW-DLBZAZTESA-N 1 3 353.304 2.917 20 0 FFADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC001178463608 1008996806 /nfs/dbraw/zinc/99/68/06/1008996806.db2.gz RXOREOIEHNXRPZ-FQEVSTJZSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC001178463608 1008996825 /nfs/dbraw/zinc/99/68/25/1008996825.db2.gz RXOREOIEHNXRPZ-FQEVSTJZSA-N 1 3 370.493 2.950 20 0 FFADHO C[N@@H+]1CC[C@@H](CNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178593288 1009038042 /nfs/dbraw/zinc/03/80/42/1009038042.db2.gz OZLNLZQRDLSHKV-SFHVURJKSA-N 1 3 363.505 2.776 20 0 FFADHO C[N@H+]1CC[C@@H](CNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178593288 1009038047 /nfs/dbraw/zinc/03/80/47/1009038047.db2.gz OZLNLZQRDLSHKV-SFHVURJKSA-N 1 3 363.505 2.776 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(CC(F)(F)F)s1 ZINC001179128691 1009268288 /nfs/dbraw/zinc/26/82/88/1009268288.db2.gz DDOOTYZZSGBZLA-LBPRGKRZSA-N 1 3 352.470 2.610 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001137248307 1009713416 /nfs/dbraw/zinc/71/34/16/1009713416.db2.gz MHHIRQZCMHCECG-LJQANCHMSA-N 1 3 372.513 2.864 20 0 FFADHO C[C@H](C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)N1CCCC1 ZINC001180583436 1009760049 /nfs/dbraw/zinc/76/00/49/1009760049.db2.gz YOQROLHETFZDSG-QGZVFWFLSA-N 1 3 368.525 2.775 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cccc(Cl)c1F ZINC001093673736 1010455742 /nfs/dbraw/zinc/45/57/42/1010455742.db2.gz VUMXUEQISOKTAJ-UNEWFSDZSA-N 1 3 367.896 2.757 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2F)[C@H](C)C1)N(C)C ZINC001094020605 1010787207 /nfs/dbraw/zinc/78/72/07/1010787207.db2.gz NYKIXTSWZKJUJG-IDHHARJASA-N 1 3 367.484 2.735 20 0 FFADHO Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001094238300 1010982052 /nfs/dbraw/zinc/98/20/52/1010982052.db2.gz JOQNZCCSOGGLFX-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001094241485 1010985233 /nfs/dbraw/zinc/98/52/33/1010985233.db2.gz IIJXPDGYDWREGL-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000866666868 1011034135 /nfs/dbraw/zinc/03/41/35/1011034135.db2.gz WZIVZHNHMZJVMX-NRSPTQNISA-N 1 3 373.541 2.955 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857968 1011244727 /nfs/dbraw/zinc/24/47/27/1011244727.db2.gz YRKFIOOWIKAMAV-QRVBRYPASA-N 1 3 365.562 2.647 20 0 FFADHO CCCN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCN(C)C1 ZINC000645164810 1011366657 /nfs/dbraw/zinc/36/66/57/1011366657.db2.gz PYHJXLZZXRHYDX-FQEVSTJZSA-N 1 3 358.530 2.561 20 0 FFADHO CCCN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCN(C)C1 ZINC000645164810 1011366665 /nfs/dbraw/zinc/36/66/65/1011366665.db2.gz PYHJXLZZXRHYDX-FQEVSTJZSA-N 1 3 358.530 2.561 20 0 FFADHO C[NH+]1CCC(C)(C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)CC1 ZINC001274399535 1011425610 /nfs/dbraw/zinc/42/56/10/1011425610.db2.gz BWURKIIMZMRVSU-LSDHHAIUSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCC(C)(N3CCOCC3)CC2)CN1Cc1ccccc1 ZINC001171758713 1011454513 /nfs/dbraw/zinc/45/45/13/1011454513.db2.gz AJXGHCYBLHPIPM-PZJWPPBQSA-N 1 3 357.542 2.836 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3Cc4cccc(F)c4C3)c2)CC1 ZINC001171776088 1011468005 /nfs/dbraw/zinc/46/80/05/1011468005.db2.gz OEEQAEIRVIZFNX-HXUWFJFHSA-N 1 3 353.485 2.830 20 0 FFADHO OC1CCN(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172074773 1011610975 /nfs/dbraw/zinc/61/09/75/1011610975.db2.gz XPCUOJQQJRJGDB-WKCHPHFGSA-N 1 3 357.542 2.618 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077642 1011614900 /nfs/dbraw/zinc/61/49/00/1011614900.db2.gz USUIWOPQJBMCTL-NMIHRBCNSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077642 1011614910 /nfs/dbraw/zinc/61/49/10/1011614910.db2.gz USUIWOPQJBMCTL-NMIHRBCNSA-N 1 3 357.542 2.882 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2CCN(C4COC4)C2)C3)cc1 ZINC001172062891 1011625901 /nfs/dbraw/zinc/62/59/01/1011625901.db2.gz AJJKBLVTEHCXBW-XSDIEEQYSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2CCN(C4COC4)C2)C3)cc1 ZINC001172062891 1011625904 /nfs/dbraw/zinc/62/59/04/1011625904.db2.gz AJJKBLVTEHCXBW-XSDIEEQYSA-N 1 3 355.526 2.635 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)C2 ZINC001172109717 1011641805 /nfs/dbraw/zinc/64/18/05/1011641805.db2.gz KHLCFBOGEPMVGA-BURNTYAHSA-N 1 3 355.526 2.825 20 0 FFADHO Cn1cc([C@H]2COC3(C2)CC[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)N4C)CC3)cn1 ZINC001172119702 1011655318 /nfs/dbraw/zinc/65/53/18/1011655318.db2.gz ZETLEYPDZNWERH-LMCOJAPRSA-N 1 3 358.530 2.774 20 0 FFADHO O=C1CC[C@@H]2C[C@@H]([NH2+]CC3CCN(Cc4ccccc4F)CC3)CCN12 ZINC001172154500 1011668196 /nfs/dbraw/zinc/66/81/96/1011668196.db2.gz HQYHPWGONUDORT-RBUKOAKNSA-N 1 3 359.489 2.781 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172176607 1011684231 /nfs/dbraw/zinc/68/42/31/1011684231.db2.gz AKRVPDLOFYMZOU-WOJBJXKFSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172176607 1011684235 /nfs/dbraw/zinc/68/42/35/1011684235.db2.gz AKRVPDLOFYMZOU-WOJBJXKFSA-N 1 3 359.489 2.875 20 0 FFADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172283089 1011749064 /nfs/dbraw/zinc/74/90/64/1011749064.db2.gz IHEOWSHCCBUCIS-WOJBJXKFSA-N 1 3 373.541 2.952 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@@H+]1C ZINC000646151950 1011773308 /nfs/dbraw/zinc/77/33/08/1011773308.db2.gz TWINBKJSEOUSKD-IRXDYDNUSA-N 1 3 352.482 2.614 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@H+]1C ZINC000646151950 1011773316 /nfs/dbraw/zinc/77/33/16/1011773316.db2.gz TWINBKJSEOUSKD-IRXDYDNUSA-N 1 3 352.482 2.614 20 0 FFADHO CC[C@@H]1CN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647011300 1012333638 /nfs/dbraw/zinc/33/36/38/1012333638.db2.gz CGRMQINXESZXQH-WMQCIHAUSA-N 1 3 357.542 2.915 20 0 FFADHO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)s1 ZINC001275356700 1012358849 /nfs/dbraw/zinc/35/88/49/1012358849.db2.gz DSDXIKGSGXNNAI-LJQANCHMSA-N 1 3 364.559 2.526 20 0 FFADHO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)s1 ZINC001275356700 1012358868 /nfs/dbraw/zinc/35/88/68/1012358868.db2.gz DSDXIKGSGXNNAI-LJQANCHMSA-N 1 3 364.559 2.526 20 0 FFADHO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001173263329 1012379031 /nfs/dbraw/zinc/37/90/31/1012379031.db2.gz HVSRUTBISIWQKU-HOJAQTOUSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC000647938152 1012633894 /nfs/dbraw/zinc/63/38/94/1012633894.db2.gz HINGFOQMHXPZBT-HKUYNNGSSA-N 1 3 369.513 2.877 20 0 FFADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976314 1012650630 /nfs/dbraw/zinc/65/06/30/1012650630.db2.gz MZZRLRFRBNMFDE-KZNAEPCWSA-N 1 3 362.518 3.192 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975831 1012652040 /nfs/dbraw/zinc/65/20/40/1012652040.db2.gz GOPQNWCQFVPXOU-ZCNNSNEGSA-N 1 3 373.541 2.590 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977705 1012653256 /nfs/dbraw/zinc/65/32/56/1012653256.db2.gz GODYYVIBLAUUJA-FHWLQOOXSA-N 1 3 373.541 2.926 20 0 FFADHO CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC(N(CC)[C@@H]3CCOC3)CC2)C1 ZINC001173658912 1012846633 /nfs/dbraw/zinc/84/66/33/1012846633.db2.gz SKJONIMZDUKHJE-NZSAHSFTSA-N 1 3 352.519 2.684 20 0 FFADHO CCC[NH+](CCC)CCN1CCN([C@@H]2CC[C@H](CC(=O)OCC)C2)CC1 ZINC001173659718 1012847533 /nfs/dbraw/zinc/84/75/33/1012847533.db2.gz YKQUTTFOHANZRG-VQTJNVASSA-N 1 3 367.578 2.848 20 0 FFADHO CCc1nccn1[C@@H](C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000648733526 1013038133 /nfs/dbraw/zinc/03/81/33/1013038133.db2.gz YCQKVVUNHNFCRZ-KRWDZBQOSA-N 1 3 369.513 2.783 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cncc(C)c3)CC2)CC[N@@H+]1C ZINC001052395014 1017397169 /nfs/dbraw/zinc/39/71/69/1017397169.db2.gz INERSEVUYOBUTG-HSALFYBXSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cncc(C)c3)CC2)CC[N@H+]1C ZINC001052395014 1017397177 /nfs/dbraw/zinc/39/71/77/1017397177.db2.gz INERSEVUYOBUTG-HSALFYBXSA-N 1 3 358.530 2.591 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001097430652 1017480330 /nfs/dbraw/zinc/48/03/30/1017480330.db2.gz NBKVLVARBZSURP-AQNXPRMDSA-N 1 3 353.510 2.579 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@H](CCC[NH3+])c3ccccc3)cn2)CCO1 ZINC000925553321 1017784151 /nfs/dbraw/zinc/78/41/51/1017784151.db2.gz ORRRVXKBDKJPTL-YLJYHZDGSA-N 1 3 354.498 2.877 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000925586077 1017796372 /nfs/dbraw/zinc/79/63/72/1017796372.db2.gz SGHBFQBSJIYGOU-ACZWYYKOSA-N 1 3 373.541 2.932 20 0 FFADHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000925809322 1017857046 /nfs/dbraw/zinc/85/70/46/1017857046.db2.gz QHGZMWLLAFDPSL-KRWDZBQOSA-N 1 3 367.493 2.714 20 0 FFADHO OC1CCN(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000926542515 1018151603 /nfs/dbraw/zinc/15/16/03/1018151603.db2.gz XPCUOJQQJRJGDB-SEJPIABJSA-N 1 3 357.542 2.618 20 0 FFADHO C[C@@H](NCc1cn(C(C)(C)C)c(=O)[nH]c1=O)c1cccc(C[NH+](C)C)c1 ZINC000926886275 1018282985 /nfs/dbraw/zinc/28/29/85/1018282985.db2.gz UFQLYHWHAXQHJC-CQSZACIVSA-N 1 3 358.486 2.616 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000681219089 1018419312 /nfs/dbraw/zinc/41/93/12/1018419312.db2.gz TXCPVWWPEKXVPA-RTWAWAEBSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000681219089 1018419319 /nfs/dbraw/zinc/41/93/19/1018419319.db2.gz TXCPVWWPEKXVPA-RTWAWAEBSA-N 1 3 370.541 2.777 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cccc4ncccc34)C[C@@H]1C[NH2+]CCC2 ZINC001222125145 1032769328 /nfs/dbraw/zinc/76/93/28/1032769328.db2.gz FWTAUVVCSVTHEH-UWJYYQICSA-N 1 3 353.466 2.600 20 0 FFADHO C[NH+](C)Cc1ccc(-c2noc(-c3ccc4c(c3)OCCNC4)n2)cc1 ZINC000900005008 1020128283 /nfs/dbraw/zinc/12/82/83/1020128283.db2.gz VXKXBOKQOLJLCG-UHFFFAOYSA-N 1 3 350.422 2.947 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)c(C)s1 ZINC001096356151 1020207387 /nfs/dbraw/zinc/20/73/87/1020207387.db2.gz NBKFOHUMEGCSAY-SQNIBIBYSA-N 1 3 359.539 2.682 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@@H+]1CCC(CO)(CO)C1)c1ccccc1 ZINC000931035467 1020295210 /nfs/dbraw/zinc/29/52/10/1020295210.db2.gz NSXAAWOXGLJNOR-JOCHJYFZSA-N 1 3 368.521 2.579 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@H+]1CCC(CO)(CO)C1)c1ccccc1 ZINC000931035467 1020295215 /nfs/dbraw/zinc/29/52/15/1020295215.db2.gz NSXAAWOXGLJNOR-JOCHJYFZSA-N 1 3 368.521 2.579 20 0 FFADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(NC2=NCCC2)cc1 ZINC000900587064 1020526718 /nfs/dbraw/zinc/52/67/18/1020526718.db2.gz FLMRJSYNTGBZEN-UHFFFAOYSA-N 1 3 370.497 2.666 20 0 FFADHO OC1(CCN[C@H]2CCCc3c[nH]nc32)CC[NH+](Cc2ccccc2)CC1 ZINC000903088555 1020671039 /nfs/dbraw/zinc/67/10/39/1020671039.db2.gz LFRJBPRGQYOOQG-IBGZPJMESA-N 1 3 354.498 2.794 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901004976 1020779839 /nfs/dbraw/zinc/77/98/39/1020779839.db2.gz YSFZMSRAXDKEMT-NHCUHLMSSA-N 1 3 371.525 2.846 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901004976 1020779843 /nfs/dbraw/zinc/77/98/43/1020779843.db2.gz YSFZMSRAXDKEMT-NHCUHLMSSA-N 1 3 371.525 2.846 20 0 FFADHO OC1(C2(C[NH2+][C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)CC2)CCOCC1 ZINC000903347112 1020798076 /nfs/dbraw/zinc/79/80/76/1020798076.db2.gz OZWIOLUBJAKRKE-ACRUOGEOSA-N 1 3 370.537 2.951 20 0 FFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CCC4(CC3)OCCO4)CC2)C1 ZINC000903374520 1020812496 /nfs/dbraw/zinc/81/24/96/1020812496.db2.gz KLNKEEDTVGCXTR-IEBWSBKVSA-N 1 3 366.546 2.667 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCCO1 ZINC001098464303 1020932967 /nfs/dbraw/zinc/93/29/67/1020932967.db2.gz VXKRAOVACFPMOU-JYRKZWEQSA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCCO1 ZINC001098464303 1020932971 /nfs/dbraw/zinc/93/29/71/1020932971.db2.gz VXKRAOVACFPMOU-JYRKZWEQSA-N 1 3 371.525 2.652 20 0 FFADHO C[C@]12CSC[C@H]1CN(CC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000934778322 1021394459 /nfs/dbraw/zinc/39/44/59/1021394459.db2.gz OAHNLBTYUDWLNQ-CTNGQTDRSA-N 1 3 373.566 2.584 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218101538 1032994293 /nfs/dbraw/zinc/99/42/93/1032994293.db2.gz TZQVTCWUEXMNMK-SLFFLAALSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218101538 1032994299 /nfs/dbraw/zinc/99/42/99/1032994299.db2.gz TZQVTCWUEXMNMK-SLFFLAALSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CC2)C3)C1 ZINC001099029659 1021631453 /nfs/dbraw/zinc/63/14/53/1021631453.db2.gz HXEPHVFOJQKDPI-DBVUQKKJSA-N 1 3 351.510 2.580 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CC2)C3)C1 ZINC001099029659 1021631459 /nfs/dbraw/zinc/63/14/59/1021631459.db2.gz HXEPHVFOJQKDPI-DBVUQKKJSA-N 1 3 351.510 2.580 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccn2C2CC2)CC1 ZINC001117744290 1021854839 /nfs/dbraw/zinc/85/48/39/1021854839.db2.gz CHNTZZWIGOVCQD-UHFFFAOYSA-N 1 3 360.546 2.883 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(F)cc2)C3)C1 ZINC001099119747 1021855951 /nfs/dbraw/zinc/85/59/51/1021855951.db2.gz SAANOAHJLVGKKS-LQWHRVPQSA-N 1 3 359.489 2.638 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(F)cc2)C3)C1 ZINC001099119747 1021855968 /nfs/dbraw/zinc/85/59/68/1021855968.db2.gz SAANOAHJLVGKKS-LQWHRVPQSA-N 1 3 359.489 2.638 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(Cc2ccccc2F)CC3)CC[N@@H+]1C ZINC001016631883 1022062217 /nfs/dbraw/zinc/06/22/17/1022062217.db2.gz FSKXAPHYGOUPGW-SUMDDJOVSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(Cc2ccccc2F)CC3)CC[N@H+]1C ZINC001016631883 1022062230 /nfs/dbraw/zinc/06/22/30/1022062230.db2.gz FSKXAPHYGOUPGW-SUMDDJOVSA-N 1 3 359.489 2.637 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C(F)(F)F ZINC001099317821 1022285020 /nfs/dbraw/zinc/28/50/20/1022285020.db2.gz RNYVHTPDXVFDGF-BZUAXINKSA-N 1 3 363.468 2.884 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001099345466 1022336401 /nfs/dbraw/zinc/33/64/01/1022336401.db2.gz BERQRFLXBBKAIE-BZUAXINKSA-N 1 3 361.452 2.640 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(-c4cncnc4)c3)CC2)CC1 ZINC001137772677 1033050133 /nfs/dbraw/zinc/05/01/33/1033050133.db2.gz JGCSRSDLLCSFAA-UHFFFAOYSA-N 1 3 365.525 2.603 20 0 FFADHO Cc1cccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001099497040 1022631595 /nfs/dbraw/zinc/63/15/95/1022631595.db2.gz PPDDHHUVWFVUNB-IPJJNNNSSA-N 1 3 370.541 2.593 20 0 FFADHO CCc1cccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)c1 ZINC001099504897 1022643950 /nfs/dbraw/zinc/64/39/50/1022643950.db2.gz CYAQPIGPMRYNIF-UGKGYDQZSA-N 1 3 366.509 2.933 20 0 FFADHO Cc1ccccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001099506997 1022648207 /nfs/dbraw/zinc/64/82/07/1022648207.db2.gz YJNIKYIMVVDVSX-RXVVDRJESA-N 1 3 352.482 2.679 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCOC ZINC001111262152 1022789573 /nfs/dbraw/zinc/78/95/73/1022789573.db2.gz CGZCDPYNGVOBRJ-ZRNYENFQSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCOC ZINC001111262152 1022789578 /nfs/dbraw/zinc/78/95/78/1022789578.db2.gz CGZCDPYNGVOBRJ-ZRNYENFQSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC ZINC001111262607 1022796986 /nfs/dbraw/zinc/79/69/86/1022796986.db2.gz ZGKATGSUKPAVMQ-ZRNYENFQSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCC ZINC001111262607 1022797002 /nfs/dbraw/zinc/79/70/02/1022797002.db2.gz ZGKATGSUKPAVMQ-ZRNYENFQSA-N 1 3 365.562 2.789 20 0 FFADHO Brc1ccc2c(c1CN1CC[C@H]3C[NH2+]C[C@H]3CC1)OCO2 ZINC001222629941 1033081859 /nfs/dbraw/zinc/08/18/59/1033081859.db2.gz SJJVUBRIBLSIBS-TXEJJXNPSA-N 1 3 353.260 2.609 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001111269290 1022876604 /nfs/dbraw/zinc/87/66/04/1022876604.db2.gz YUYVJTDPHBPCTQ-QRVBRYPASA-N 1 3 353.551 2.647 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)c1 ZINC001119970657 1023188470 /nfs/dbraw/zinc/18/84/70/1023188470.db2.gz HBWXOQMCNNCLNV-FQEVSTJZSA-N 1 3 359.514 2.649 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)c1 ZINC001119970657 1023188473 /nfs/dbraw/zinc/18/84/73/1023188473.db2.gz HBWXOQMCNNCLNV-FQEVSTJZSA-N 1 3 359.514 2.649 20 0 FFADHO COC(=O)c1cc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC001119986920 1023194871 /nfs/dbraw/zinc/19/48/71/1023194871.db2.gz IBGINVRBGZJSPR-FGTMMUONSA-N 1 3 369.465 2.852 20 0 FFADHO COC(=O)c1cc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC001119986920 1023194875 /nfs/dbraw/zinc/19/48/75/1023194875.db2.gz IBGINVRBGZJSPR-FGTMMUONSA-N 1 3 369.465 2.852 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1 ZINC001120562875 1023361899 /nfs/dbraw/zinc/36/18/99/1023361899.db2.gz GWYUCNCEGSCCND-SJBKTWHCSA-N 1 3 366.509 2.648 20 0 FFADHO COc1cc(C)c([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000753665470 1023365171 /nfs/dbraw/zinc/36/51/71/1023365171.db2.gz PBXNJDYMTTVGBL-QGZVFWFLSA-N 1 3 361.530 2.905 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000754186455 1023436609 /nfs/dbraw/zinc/43/66/09/1023436609.db2.gz PGURPBSUXDZZIA-MSOLQXFVSA-N 1 3 369.550 2.506 20 0 FFADHO FC1(F)CCNC[C@H]1Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218446730 1033159130 /nfs/dbraw/zinc/15/91/30/1033159130.db2.gz FDBFNFWDLMBBNH-QGZVFWFLSA-N 1 3 362.424 2.851 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CCN(C)c3cc[nH+]cc3)cc2)CC1 ZINC000779490211 1023939967 /nfs/dbraw/zinc/93/99/67/1023939967.db2.gz YYPVKAFKAPTAML-UHFFFAOYSA-N 1 3 367.497 2.689 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001122143383 1024379379 /nfs/dbraw/zinc/37/93/79/1024379379.db2.gz KUHIMOHNIVSTIB-SFHVURJKSA-N 1 3 369.534 2.783 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001122143383 1024379397 /nfs/dbraw/zinc/37/93/97/1024379397.db2.gz KUHIMOHNIVSTIB-SFHVURJKSA-N 1 3 369.534 2.783 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC[C@H]3CCCCO3)[C@H]2C1 ZINC001223022816 1033245104 /nfs/dbraw/zinc/24/51/04/1033245104.db2.gz FHYAPJJZDOBJKI-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC[C@H]3CCCCO3)[C@H]2C1 ZINC001223022816 1033245118 /nfs/dbraw/zinc/24/51/18/1033245118.db2.gz FHYAPJJZDOBJKI-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046153 1025350282 /nfs/dbraw/zinc/35/02/82/1025350282.db2.gz PFYDBPSHCIFMFG-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046153 1025350295 /nfs/dbraw/zinc/35/02/95/1025350295.db2.gz PFYDBPSHCIFMFG-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045965 1025351128 /nfs/dbraw/zinc/35/11/28/1025351128.db2.gz FBLSHMYLRHOGLG-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045965 1025351142 /nfs/dbraw/zinc/35/11/42/1025351142.db2.gz FBLSHMYLRHOGLG-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048645 1025358545 /nfs/dbraw/zinc/35/85/45/1025358545.db2.gz JMUZKGGLAOOBKA-NSISKUIASA-N 1 3 361.574 2.981 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048645 1025358559 /nfs/dbraw/zinc/35/85/59/1025358559.db2.gz JMUZKGGLAOOBKA-NSISKUIASA-N 1 3 361.574 2.981 20 0 FFADHO CC[C@H](C)N1CCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000837005596 1025496037 /nfs/dbraw/zinc/49/60/37/1025496037.db2.gz QWPYSXUZEGJEMY-MZEUMTGBSA-N 1 3 359.514 2.583 20 0 FFADHO CN1CCN(C(C)(C)C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638349762 1025797469 /nfs/dbraw/zinc/79/74/69/1025797469.db2.gz VAIXAHREWOTZSY-RBBKRZOGSA-N 1 3 370.585 2.970 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1C)[NH+](CC)CC ZINC001102357706 1025798872 /nfs/dbraw/zinc/79/88/72/1025798872.db2.gz GHLIGRVSDDXJDQ-ZTFGCOKTSA-N 1 3 364.534 2.596 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000638403398 1025827722 /nfs/dbraw/zinc/82/77/22/1025827722.db2.gz BHAMOKDKCVADIW-HXUWFJFHSA-N 1 3 360.498 2.734 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001102373086 1025837642 /nfs/dbraw/zinc/83/76/42/1025837642.db2.gz USLFXNTVNYUENX-LEMKKCAESA-N 1 3 359.917 2.636 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001102373086 1025837654 /nfs/dbraw/zinc/83/76/54/1025837654.db2.gz USLFXNTVNYUENX-LEMKKCAESA-N 1 3 359.917 2.636 20 0 FFADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372936 1025839019 /nfs/dbraw/zinc/83/90/19/1025839019.db2.gz RBIVDJJCFCNRRM-HLIPFELVSA-N 1 3 353.526 2.849 20 0 FFADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372936 1025839032 /nfs/dbraw/zinc/83/90/32/1025839032.db2.gz RBIVDJJCFCNRRM-HLIPFELVSA-N 1 3 353.526 2.849 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001102380520 1025855230 /nfs/dbraw/zinc/85/52/30/1025855230.db2.gz LFACZSJKQVZNBI-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001102380520 1025855241 /nfs/dbraw/zinc/85/52/41/1025855241.db2.gz LFACZSJKQVZNBI-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430575 1025965279 /nfs/dbraw/zinc/96/52/79/1025965279.db2.gz XCQWOCZJQZEWKD-BRWVUGGUSA-N 1 3 364.559 2.592 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCCOC)C[C@H]1C ZINC001102504643 1026153787 /nfs/dbraw/zinc/15/37/87/1026153787.db2.gz WYJSVVLRIDWFJI-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCCOC)C[C@H]1C ZINC001102504643 1026153789 /nfs/dbraw/zinc/15/37/89/1026153789.db2.gz WYJSVVLRIDWFJI-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639471749 1026324222 /nfs/dbraw/zinc/32/42/22/1026324222.db2.gz FYJDXLJYOXKRLL-NRFANRHFSA-N 1 3 355.526 2.984 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639471749 1026324229 /nfs/dbraw/zinc/32/42/29/1026324229.db2.gz FYJDXLJYOXKRLL-NRFANRHFSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1C[C@@H](CO)CN(C[C@H](C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675074 1026428427 /nfs/dbraw/zinc/42/84/27/1026428427.db2.gz QAZGVKRCNCKEEX-WKHGPKRUSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@@H](CO)CN(C[C@H](C[N@H+]2C[C@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675074 1026428432 /nfs/dbraw/zinc/42/84/32/1026428432.db2.gz QAZGVKRCNCKEEX-WKHGPKRUSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](CN2C[C@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675074 1026428438 /nfs/dbraw/zinc/42/84/38/1026428438.db2.gz QAZGVKRCNCKEEX-WKHGPKRUSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](CN2C[C@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675074 1026428443 /nfs/dbraw/zinc/42/84/43/1026428443.db2.gz QAZGVKRCNCKEEX-WKHGPKRUSA-N 1 3 374.569 2.671 20 0 FFADHO Cc1nccn1CCCCN1C[C@@H]2C[C@H]1C[N@@H+]2CCCCn1ccnc1C ZINC000640048784 1026560274 /nfs/dbraw/zinc/56/02/74/1026560274.db2.gz DJLBBVZDRHHSQH-SFTDATJTSA-N 1 3 370.545 2.716 20 0 FFADHO Cc1nccn1CCCCN1C[C@@H]2C[C@H]1C[N@H+]2CCCCn1ccnc1C ZINC000640048784 1026560283 /nfs/dbraw/zinc/56/02/83/1026560283.db2.gz DJLBBVZDRHHSQH-SFTDATJTSA-N 1 3 370.545 2.716 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)[C@H]2C1 ZINC000640234035 1026657449 /nfs/dbraw/zinc/65/74/49/1026657449.db2.gz KMDFGJZPAYBMOP-UXPWSPDFSA-N 1 3 352.482 2.575 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083961 1026944579 /nfs/dbraw/zinc/94/45/79/1026944579.db2.gz QMJUIKQOUOFSHS-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083961 1026944586 /nfs/dbraw/zinc/94/45/86/1026944586.db2.gz QMJUIKQOUOFSHS-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087914 1026947880 /nfs/dbraw/zinc/94/78/80/1026947880.db2.gz PGRVTFMGICABKK-NSISKUIASA-N 1 3 361.574 2.981 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087914 1026947887 /nfs/dbraw/zinc/94/78/87/1026947887.db2.gz PGRVTFMGICABKK-NSISKUIASA-N 1 3 361.574 2.981 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103421 1026964684 /nfs/dbraw/zinc/96/46/84/1026964684.db2.gz IHGRRKPRHHGELH-ZACQAIPSSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103421 1026964685 /nfs/dbraw/zinc/96/46/85/1026964685.db2.gz IHGRRKPRHHGELH-ZACQAIPSSA-N 1 3 364.559 2.592 20 0 FFADHO CC(=O)OCc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)o1 ZINC001141779857 1026969433 /nfs/dbraw/zinc/96/94/33/1026969433.db2.gz GEGIDUKZNVALBT-UHFFFAOYSA-N 1 3 364.486 2.667 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1C)N(C)C ZINC001103138430 1026994399 /nfs/dbraw/zinc/99/43/99/1026994399.db2.gz KZOYHPMZCBWHNP-IDHHARJASA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1C)N(C)C ZINC001103138430 1026994401 /nfs/dbraw/zinc/99/44/01/1026994401.db2.gz KZOYHPMZCBWHNP-IDHHARJASA-N 1 3 367.484 2.879 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000641485244 1027236351 /nfs/dbraw/zinc/23/63/51/1027236351.db2.gz KOVOYPDKTCVDPB-LJQANCHMSA-N 1 3 360.546 2.941 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000641485244 1027236363 /nfs/dbraw/zinc/23/63/63/1027236363.db2.gz KOVOYPDKTCVDPB-LJQANCHMSA-N 1 3 360.546 2.941 20 0 FFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000641807141 1027315987 /nfs/dbraw/zinc/31/59/87/1027315987.db2.gz QTIXLTHCQQXODH-MOPGFXCFSA-N 1 3 351.494 2.998 20 0 FFADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NC/C=C/C[NH3+] ZINC000641861815 1027337079 /nfs/dbraw/zinc/33/70/79/1027337079.db2.gz FJSHFHUYRKAOLR-IRUYWQDXSA-N 1 3 372.557 2.876 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4ncccc43)c3ccccc23)CC1 ZINC001159459984 1027398122 /nfs/dbraw/zinc/39/81/22/1027398122.db2.gz JIRNRFPZQJSLKP-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C)N(C)C ZINC001103444901 1027493937 /nfs/dbraw/zinc/49/39/37/1027493937.db2.gz OPGBQZMJBUVHTB-POAQFYNOSA-N 1 3 361.530 2.610 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1C)N(C)C ZINC001103444901 1027493957 /nfs/dbraw/zinc/49/39/57/1027493957.db2.gz OPGBQZMJBUVHTB-POAQFYNOSA-N 1 3 361.530 2.610 20 0 FFADHO [NH3+][C@@H]1CCc2c3ccccc3n(-c3nc(Cl)nc4c3CCNC4)c2C1 ZINC001159947317 1027542550 /nfs/dbraw/zinc/54/25/50/1027542550.db2.gz LYZLSZMVCMEAFX-LLVKDONJSA-N 1 3 353.857 2.536 20 0 FFADHO CN(CCCCCC[N@H+](C)[C@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795674376 1027720610 /nfs/dbraw/zinc/72/06/10/1027720610.db2.gz CVQVSCOPOBVKLR-IYBDPMFKSA-N 1 3 368.518 2.599 20 0 FFADHO CN(CCCCCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795674376 1027720636 /nfs/dbraw/zinc/72/06/36/1027720636.db2.gz CVQVSCOPOBVKLR-IYBDPMFKSA-N 1 3 368.518 2.599 20 0 FFADHO CN(CCCCCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@H]1CC(C)(C)OC1=O ZINC000795674376 1027720656 /nfs/dbraw/zinc/72/06/56/1027720656.db2.gz CVQVSCOPOBVKLR-IYBDPMFKSA-N 1 3 368.518 2.599 20 0 FFADHO CN(CCCCCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@H]1CC(C)(C)OC1=O ZINC000795674376 1027720678 /nfs/dbraw/zinc/72/06/78/1027720678.db2.gz CVQVSCOPOBVKLR-IYBDPMFKSA-N 1 3 368.518 2.599 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001103612789 1027783369 /nfs/dbraw/zinc/78/33/69/1027783369.db2.gz VKAZKQNRVKWCRC-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001103612789 1027783387 /nfs/dbraw/zinc/78/33/87/1027783387.db2.gz VKAZKQNRVKWCRC-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC001160955850 1027942845 /nfs/dbraw/zinc/94/28/45/1027942845.db2.gz IPJCAGCNAJSPTR-IHPCNDPISA-N 1 3 373.541 2.882 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001160958088 1027946609 /nfs/dbraw/zinc/94/66/09/1027946609.db2.gz UVIPGWIIOFSRLV-QFUCXCTJSA-N 1 3 373.541 2.896 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718814 1028062406 /nfs/dbraw/zinc/06/24/06/1028062406.db2.gz FYCJVKMKDBDFIH-RBSFLKMASA-N 1 3 369.962 2.927 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718814 1028062424 /nfs/dbraw/zinc/06/24/24/1028062424.db2.gz FYCJVKMKDBDFIH-RBSFLKMASA-N 1 3 369.962 2.927 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1C ZINC001103757167 1028145341 /nfs/dbraw/zinc/14/53/41/1028145341.db2.gz OVHZHPNRWHJIIR-JFIYKMOQSA-N 1 3 364.559 2.592 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1C ZINC001103757167 1028145347 /nfs/dbraw/zinc/14/53/47/1028145347.db2.gz OVHZHPNRWHJIIR-JFIYKMOQSA-N 1 3 364.559 2.592 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1Cc2nc(-c3ccccc3)sc2C1 ZINC001161572573 1028234345 /nfs/dbraw/zinc/23/43/45/1028234345.db2.gz UHGZRDHPTGTMCE-OAHLLOKOSA-N 1 3 368.506 2.527 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1Cc2nc(-c3ccccc3)sc2C1 ZINC001161572573 1028234351 /nfs/dbraw/zinc/23/43/51/1028234351.db2.gz UHGZRDHPTGTMCE-OAHLLOKOSA-N 1 3 368.506 2.527 20 0 FFADHO Clc1ccc(CC2(CNc3cc4c(nn3)CCNC4)CC[NH2+]CC2)cc1 ZINC001161991999 1028386324 /nfs/dbraw/zinc/38/63/24/1028386324.db2.gz FMUHWQODLHNAIM-UHFFFAOYSA-N 1 3 371.916 2.800 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]Cc1cc(F)ccc1F ZINC001104000227 1028464178 /nfs/dbraw/zinc/46/41/78/1028464178.db2.gz ZRXDWBUAKOGKRT-SPYBWZPUSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001162757560 1028647213 /nfs/dbraw/zinc/64/72/13/1028647213.db2.gz BCLAYGMWDDMVAA-JTQLQIEISA-N 1 3 350.451 2.696 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001163127069 1028813791 /nfs/dbraw/zinc/81/37/91/1028813791.db2.gz YYCXTUFAVOSEQO-UHFFFAOYSA-N 1 3 369.897 2.968 20 0 FFADHO CCOc1cc2ncnc(NC(=[NH2+])NCCN(CC)CC)c2cc1OCC ZINC001163125800 1028814454 /nfs/dbraw/zinc/81/44/54/1028814454.db2.gz KPGMXKQBNNNBRG-UHFFFAOYSA-N 1 3 374.489 2.705 20 0 FFADHO Cc1nc(NCc2cccnc2C2CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC001155994606 1029005697 /nfs/dbraw/zinc/00/56/97/1029005697.db2.gz BWFIUSZDFXGJAG-UHFFFAOYSA-N 1 3 352.486 2.859 20 0 FFADHO COC(=O)c1ccc(-c2ccc(NC(=N)NCCCC[NH3+])nc2C)cc1 ZINC001157099948 1029465700 /nfs/dbraw/zinc/46/57/00/1029465700.db2.gz UWJKOTRGNWXNAQ-UHFFFAOYSA-N 1 3 355.442 2.519 20 0 FFADHO Cc1sc2ncnc(N3CCN(CC4CC[NH+](C)CC4)CC3)c2c1C ZINC001157836816 1029672304 /nfs/dbraw/zinc/67/23/04/1029672304.db2.gz NSQIEMQPXCAXKI-UHFFFAOYSA-N 1 3 359.543 2.772 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3nncc4cc(Cl)ccc43)CC2)CC1 ZINC001157838461 1029672853 /nfs/dbraw/zinc/67/28/53/1029672853.db2.gz YPSOVHYAQVGJDH-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc4c(Cl)ccnc4n3)CC2)CC1 ZINC001157837398 1029673135 /nfs/dbraw/zinc/67/31/35/1029673135.db2.gz BLBQMCIZNAYTNU-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ncc4c(Cl)cccc4n3)CC2)CC1 ZINC001157838403 1029673214 /nfs/dbraw/zinc/67/32/14/1029673214.db2.gz XBDABEVSFKDIDO-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)c(C)c1 ZINC001158028175 1029711209 /nfs/dbraw/zinc/71/12/09/1029711209.db2.gz LCIJFGYGJXAYLO-UNMCSNQZSA-N 1 3 357.542 2.946 20 0 FFADHO N[C@H](CC(=O)N1CCC[C@@]12CCC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001158159426 1029747986 /nfs/dbraw/zinc/74/79/86/1029747986.db2.gz ANPUJGNAGOYPJS-NVXWUHKLSA-N 1 3 355.404 2.840 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)ccc1OC ZINC000782778757 1029818136 /nfs/dbraw/zinc/81/81/36/1029818136.db2.gz UKFITEUQNYJEKT-UZLBHIALSA-N 1 3 364.530 2.975 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C(F)(F)F ZINC001112123259 1030051403 /nfs/dbraw/zinc/05/14/03/1030051403.db2.gz AHLGIXGQHHSQNQ-BFHYXJOUSA-N 1 3 351.457 2.742 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1nc(C2CCCC2)cs1 ZINC001166248007 1030320945 /nfs/dbraw/zinc/32/09/45/1030320945.db2.gz NENCLHXTSRZTNH-HNNXBMFYSA-N 1 3 366.575 2.731 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1nc(C2CCCC2)cs1 ZINC001166248007 1030320961 /nfs/dbraw/zinc/32/09/61/1030320961.db2.gz NENCLHXTSRZTNH-HNNXBMFYSA-N 1 3 366.575 2.731 20 0 FFADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC001204075038 1031080448 /nfs/dbraw/zinc/08/04/48/1031080448.db2.gz WHHFUDXVOJHXLQ-NRFANRHFSA-N 1 3 373.541 2.811 20 0 FFADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC001204075038 1031080466 /nfs/dbraw/zinc/08/04/66/1031080466.db2.gz WHHFUDXVOJHXLQ-NRFANRHFSA-N 1 3 373.541 2.811 20 0 FFADHO Cc1ccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1C ZINC001204350267 1031244950 /nfs/dbraw/zinc/24/49/50/1031244950.db2.gz AJBNXEFFUMIGFC-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO Cc1ccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1C ZINC001204350267 1031244962 /nfs/dbraw/zinc/24/49/62/1031244962.db2.gz AJBNXEFFUMIGFC-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000843358543 1031351667 /nfs/dbraw/zinc/35/16/67/1031351667.db2.gz VKRNODBXAJAKHV-LNRXMEIDSA-N 1 3 354.494 2.505 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000843358543 1031351678 /nfs/dbraw/zinc/35/16/78/1031351678.db2.gz VKRNODBXAJAKHV-LNRXMEIDSA-N 1 3 354.494 2.505 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000843358543 1031351692 /nfs/dbraw/zinc/35/16/92/1031351692.db2.gz VKRNODBXAJAKHV-LNRXMEIDSA-N 1 3 354.494 2.505 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc(C[NH3+])c2)cc1 ZINC000843494955 1031429149 /nfs/dbraw/zinc/42/91/49/1031429149.db2.gz MZNPOIZRDIFRKD-HXUWFJFHSA-N 1 3 353.466 2.721 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000798487237 1031434007 /nfs/dbraw/zinc/43/40/07/1031434007.db2.gz UEORVMXKTIARDW-RBBKRZOGSA-N 1 3 368.525 2.554 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798487237 1031434019 /nfs/dbraw/zinc/43/40/19/1031434019.db2.gz UEORVMXKTIARDW-RBBKRZOGSA-N 1 3 368.525 2.554 20 0 FFADHO [NH3+]C[C@@]1(O)CCCN(Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001205228927 1031612680 /nfs/dbraw/zinc/61/26/80/1031612680.db2.gz KGFSJELJJYHBLI-MRXNPFEDSA-N 1 3 352.276 2.606 20 0 FFADHO CCOc1ccc(CN(C)C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177375 1031681927 /nfs/dbraw/zinc/68/19/27/1031681927.db2.gz RQDHRAXQXSSBQI-UHFFFAOYSA-N 1 3 373.541 2.852 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205415446 1031727624 /nfs/dbraw/zinc/72/76/24/1031727624.db2.gz VHHNLJIPZKNGGD-XUVXKRRUSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cccc(F)c1 ZINC001205440069 1031748009 /nfs/dbraw/zinc/74/80/09/1031748009.db2.gz YQPZILPNQPIYDX-RBUKOAKNSA-N 1 3 358.461 2.722 20 0 FFADHO C[C@@H]1CCN(Cc2c[nH]c3ncc(Br)nc23)CC[C@@H]1C[NH3+] ZINC001205654016 1031909436 /nfs/dbraw/zinc/90/94/36/1031909436.db2.gz WGCZBTYZNGUOOM-GHMZBOCLSA-N 1 3 352.280 2.527 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CCC2)C1 ZINC001205686217 1031936356 /nfs/dbraw/zinc/93/63/56/1031936356.db2.gz ZMRXRFADLXLWJI-AZUAARDMSA-N 1 3 361.505 2.850 20 0 FFADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc3ncc(Br)cc3c2)C1 ZINC001205725371 1031956875 /nfs/dbraw/zinc/95/68/75/1031956875.db2.gz GIVYDSBUACWVLD-QGZVFWFLSA-N 1 3 364.287 2.673 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001218715902 1033300242 /nfs/dbraw/zinc/30/02/42/1033300242.db2.gz PKYUDNACXFMIGB-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1ccc([C@H](C(=O)Nc2cccc3c2CNC3)N2CCC([NH3+])CC2)cc1 ZINC001218992796 1033447534 /nfs/dbraw/zinc/44/75/34/1033447534.db2.gz FHVMKSDGUBPTRH-OAQYLSRUSA-N 1 3 364.493 2.701 20 0 FFADHO Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219225633 1033561667 /nfs/dbraw/zinc/56/16/67/1033561667.db2.gz FXMOHEFFSQMUGS-LJQANCHMSA-N 1 3 366.465 2.513 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236253 1033567108 /nfs/dbraw/zinc/56/71/08/1033567108.db2.gz PSMWBZHRRYXYLN-UWJYYQICSA-N 1 3 370.472 2.652 20 0 FFADHO O=C(Nc1cc(F)cc2c1-c1ccc(F)cc1C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219548155 1033685879 /nfs/dbraw/zinc/68/58/79/1033685879.db2.gz MHFNZSUKDZWJEA-SPLOXXLWSA-N 1 3 369.415 2.674 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)C1 ZINC001219642744 1033728553 /nfs/dbraw/zinc/72/85/53/1033728553.db2.gz XGGUNUKTLPGUPL-CDXJDZJCSA-N 1 3 351.494 2.585 20 0 FFADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219789915 1033822090 /nfs/dbraw/zinc/82/20/90/1033822090.db2.gz AWHIGQOORGUJFQ-JRGCBEDISA-N 1 3 366.509 2.597 20 0 FFADHO CCCC[C@H](CC)COCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220130786 1033995126 /nfs/dbraw/zinc/99/51/26/1033995126.db2.gz CGZNGYIXWADYMZ-ZWKOTPCHSA-N 1 3 353.551 2.600 20 0 FFADHO CCCC[C@H](CC)COCCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220130786 1033995133 /nfs/dbraw/zinc/99/51/33/1033995133.db2.gz CGZNGYIXWADYMZ-ZWKOTPCHSA-N 1 3 353.551 2.600 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220251640 1034070426 /nfs/dbraw/zinc/07/04/26/1034070426.db2.gz AAJHPHKNOISZMQ-SFTDATJTSA-N 1 3 351.494 2.824 20 0 FFADHO C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220251640 1034070439 /nfs/dbraw/zinc/07/04/39/1034070439.db2.gz AAJHPHKNOISZMQ-SFTDATJTSA-N 1 3 351.494 2.824 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001220315758 1034114565 /nfs/dbraw/zinc/11/45/65/1034114565.db2.gz IAEACKYCLWFVCB-JAXLGGSGSA-N 1 3 373.541 2.877 20 0 FFADHO CN(C)c1ncc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001138351009 1034185989 /nfs/dbraw/zinc/18/59/89/1034185989.db2.gz DERRDQWWJUCUKA-UHFFFAOYSA-N 1 3 351.498 2.641 20 0 FFADHO CCCc1ccc(CN2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)s1 ZINC001138524470 1034373670 /nfs/dbraw/zinc/37/36/70/1034373670.db2.gz LXKPCVYHAGHEBT-VQIMIIECSA-N 1 3 352.544 2.870 20 0 FFADHO CCCc1ccc(CN2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)s1 ZINC001138524470 1034373683 /nfs/dbraw/zinc/37/36/83/1034373683.db2.gz LXKPCVYHAGHEBT-VQIMIIECSA-N 1 3 352.544 2.870 20 0 FFADHO O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221195631 1034596444 /nfs/dbraw/zinc/59/64/44/1034596444.db2.gz ARGZGPCSZGNEEZ-YFVAEKQCSA-N 1 3 369.896 2.745 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC001226565214 1034738343 /nfs/dbraw/zinc/73/83/43/1034738343.db2.gz WXSDKNURLGJEJF-IPMKNSEASA-N 1 3 364.509 2.587 20 0 FFADHO C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@H+](Cc3occc3[S-])C2)C1=O ZINC001277154081 1034828983 /nfs/dbraw/zinc/82/89/83/1034828983.db2.gz ROHRWRHLBIYIJK-HXUWFJFHSA-N 1 3 371.506 2.620 20 0 FFADHO C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3occc3[S-])C2)C1=O ZINC001277154081 1034828995 /nfs/dbraw/zinc/82/89/95/1034828995.db2.gz ROHRWRHLBIYIJK-HXUWFJFHSA-N 1 3 371.506 2.620 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(N(C)C)CCC2)cc1 ZINC001226782836 1034838978 /nfs/dbraw/zinc/83/89/78/1034838978.db2.gz STEATIFFGAFHIE-RTBURBONSA-N 1 3 359.514 2.697 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)n1)C1CCC1 ZINC001226824975 1034853190 /nfs/dbraw/zinc/85/31/90/1034853190.db2.gz UNCYVNDHQRBYHU-IAGOWNOFSA-N 1 3 364.921 2.736 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001226831998 1034856365 /nfs/dbraw/zinc/85/63/65/1034856365.db2.gz XJIPIOKEEQSJNZ-AQNXPRMDSA-N 1 3 365.562 2.693 20 0 FFADHO CC[C@H](COc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)OC ZINC001227164604 1034956287 /nfs/dbraw/zinc/95/62/87/1034956287.db2.gz KTWZVLIWXHVDED-LJQANCHMSA-N 1 3 351.535 2.675 20 0 FFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC[C@H]1CCC=CO1 ZINC001227161328 1034956441 /nfs/dbraw/zinc/95/64/41/1034956441.db2.gz QEUSAZLDLXVBKJ-HXUWFJFHSA-N 1 3 361.530 2.943 20 0 FFADHO CCOCCCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001221662596 1034961998 /nfs/dbraw/zinc/96/19/98/1034961998.db2.gz UTTYMJLYNZRDKC-IEBWSBKVSA-N 1 3 365.562 2.599 20 0 FFADHO CCOCCCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001221662596 1034962007 /nfs/dbraw/zinc/96/20/07/1034962007.db2.gz UTTYMJLYNZRDKC-IEBWSBKVSA-N 1 3 365.562 2.599 20 0 FFADHO COC(=O)c1cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1C ZINC001139373260 1035079530 /nfs/dbraw/zinc/07/95/30/1035079530.db2.gz LZJZULKUKQUQIG-UHFFFAOYSA-N 1 3 367.493 2.910 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21)[NH+](CC)CC ZINC001221812078 1035087050 /nfs/dbraw/zinc/08/70/50/1035087050.db2.gz XUIRMRHGEDZIFV-BHIYHBOVSA-N 1 3 363.571 2.944 20 0 FFADHO COCCn1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001139781944 1035231459 /nfs/dbraw/zinc/23/14/59/1035231459.db2.gz SOJFQJWVVMFOPA-UHFFFAOYSA-N 1 3 358.486 2.611 20 0 FFADHO COCCn1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001139781944 1035231463 /nfs/dbraw/zinc/23/14/63/1035231463.db2.gz SOJFQJWVVMFOPA-UHFFFAOYSA-N 1 3 358.486 2.611 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccnnc1)CC2 ZINC001139982433 1035296969 /nfs/dbraw/zinc/29/69/69/1035296969.db2.gz NUISFVDHWZPPEO-HXUWFJFHSA-N 1 3 352.482 2.732 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccnnc1)CC2 ZINC001139982433 1035296972 /nfs/dbraw/zinc/29/69/72/1035296972.db2.gz NUISFVDHWZPPEO-HXUWFJFHSA-N 1 3 352.482 2.732 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC000834887967 1035469441 /nfs/dbraw/zinc/46/94/41/1035469441.db2.gz ZSTXMJMZJGQUBG-FRIKZZABSA-N 1 3 370.541 2.824 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F)[C@@H](C1CC1)N1CCCC1 ZINC001227704281 1035686241 /nfs/dbraw/zinc/68/62/41/1035686241.db2.gz WTFNFEYICFZAIU-BZUAXINKSA-N 1 3 361.452 2.830 20 0 FFADHO COC(=O)c1cccc2[nH]nc(CN3CCC(C4CC[NH+](C)CC4)CC3)c21 ZINC001232438481 1035686421 /nfs/dbraw/zinc/68/64/21/1035686421.db2.gz QYQUZBUVORCDAU-UHFFFAOYSA-N 1 3 370.497 2.903 20 0 FFADHO COC(=O)c1cccc2n[nH]c(CN3CCC(C4CC[NH+](C)CC4)CC3)c21 ZINC001232438481 1035686425 /nfs/dbraw/zinc/68/64/25/1035686425.db2.gz QYQUZBUVORCDAU-UHFFFAOYSA-N 1 3 370.497 2.903 20 0 FFADHO COc1cccc(Cl)c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001140730719 1036007539 /nfs/dbraw/zinc/00/75/39/1036007539.db2.gz YAVRHFYMRXGOBF-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO O=C1N(CCC(F)(F)F)CC[C@]12CC[N@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001277281961 1036015032 /nfs/dbraw/zinc/01/50/32/1036015032.db2.gz IISCDQIPEKRXCG-KRWDZBQOSA-N 1 3 366.387 2.940 20 0 FFADHO O=C1N(CCC(F)(F)F)CC[C@]12CC[N@@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001277281961 1036015053 /nfs/dbraw/zinc/01/50/53/1036015053.db2.gz IISCDQIPEKRXCG-KRWDZBQOSA-N 1 3 366.387 2.940 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254663 1036015965 /nfs/dbraw/zinc/01/59/65/1036015965.db2.gz FISHDHXUBQRUDZ-IAGOWNOFSA-N 1 3 352.548 2.619 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1)CC(C)(C)C ZINC001228624161 1036213195 /nfs/dbraw/zinc/21/31/95/1036213195.db2.gz RQHRTPXIPZYGSA-GUDVDZBRSA-N 1 3 367.578 2.941 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228624252 1036214102 /nfs/dbraw/zinc/21/41/02/1036214102.db2.gz VFUPRYCMCVGZMY-RTBURBONSA-N 1 3 360.546 2.885 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](Cc3cccc4ccoc43)CC2)C1=O ZINC001277794309 1036689713 /nfs/dbraw/zinc/68/97/13/1036689713.db2.gz GGQJQXJCPKGKIT-UHFFFAOYSA-N 1 3 355.482 2.809 20 0 FFADHO CCCCc1nc(CN2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c[nH]1 ZINC001141070434 1036908995 /nfs/dbraw/zinc/90/89/95/1036908995.db2.gz FCDJOTOECCJJRR-QFBILLFUSA-N 1 3 358.486 2.678 20 0 FFADHO Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)CCC[NH+]2CCCC2)s1 ZINC001230256847 1037180370 /nfs/dbraw/zinc/18/03/70/1037180370.db2.gz CTIBCBNFVOCIOY-QZTJIDSGSA-N 1 3 364.559 2.845 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207262621 1037295451 /nfs/dbraw/zinc/29/54/51/1037295451.db2.gz JXHKKMPDXLMPJT-LSTHTHJFSA-N 1 3 363.521 2.865 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207262621 1037295466 /nfs/dbraw/zinc/29/54/66/1037295466.db2.gz JXHKKMPDXLMPJT-LSTHTHJFSA-N 1 3 363.521 2.865 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001207281432 1037312502 /nfs/dbraw/zinc/31/25/02/1037312502.db2.gz CVCKEBIFIFPCNA-OAQYLSRUSA-N 1 3 358.530 2.626 20 0 FFADHO C[NH+]1CCC(CN2CC(c3ncn4cc(Br)ccc34)C2)CC1 ZINC001207398842 1037415809 /nfs/dbraw/zinc/41/58/09/1037415809.db2.gz QMJCJHLOLGJNEE-UHFFFAOYSA-N 1 3 363.303 2.838 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001207401492 1037418610 /nfs/dbraw/zinc/41/86/10/1037418610.db2.gz OEOMFGGMYJQPLU-UHFFFAOYSA-N 1 3 351.498 2.607 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001207484543 1037482724 /nfs/dbraw/zinc/48/27/24/1037482724.db2.gz PXGHTAGFCOVRQV-BHIFYINESA-N 1 3 373.541 2.810 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207616950 1037606002 /nfs/dbraw/zinc/60/60/02/1037606002.db2.gz KNUNCBSOHCSTSV-MAODMQOUSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207616950 1037606011 /nfs/dbraw/zinc/60/60/11/1037606011.db2.gz KNUNCBSOHCSTSV-MAODMQOUSA-N 1 3 371.525 2.528 20 0 FFADHO N[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001235579188 1037629411 /nfs/dbraw/zinc/62/94/11/1037629411.db2.gz CJSBOPVZYMPQSF-FVTFTPSCSA-N 1 3 367.493 2.652 20 0 FFADHO N[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001235579188 1037629421 /nfs/dbraw/zinc/62/94/21/1037629421.db2.gz CJSBOPVZYMPQSF-FVTFTPSCSA-N 1 3 367.493 2.652 20 0 FFADHO c1csc(CCN2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)c1 ZINC001235691028 1037688792 /nfs/dbraw/zinc/68/87/92/1037688792.db2.gz GNILMFXHZYJZQB-UHFFFAOYSA-N 1 3 370.566 2.518 20 0 FFADHO C[C@H](C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1)c1ccccc1 ZINC001207903492 1037828943 /nfs/dbraw/zinc/82/89/43/1037828943.db2.gz LBSUQSYRSJHIGU-GOSISDBHSA-N 1 3 353.510 2.614 20 0 FFADHO C[C@H](C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1)c1ccccc1 ZINC001207903492 1037828956 /nfs/dbraw/zinc/82/89/56/1037828956.db2.gz LBSUQSYRSJHIGU-GOSISDBHSA-N 1 3 353.510 2.614 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207926872 1037855075 /nfs/dbraw/zinc/85/50/75/1037855075.db2.gz HDPCHHLSZDWJEO-PMACEKPBSA-N 1 3 374.525 2.893 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3c(F)ccc(C)c3Cl)C[C@H]1C2 ZINC001236025546 1037892312 /nfs/dbraw/zinc/89/23/12/1037892312.db2.gz FCLYXWJWMJBHGQ-IZSNYMMISA-N 1 3 366.864 2.618 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(OC(C)C)c(C)c3)C[C@H]1CNCC2 ZINC001236041284 1037903184 /nfs/dbraw/zinc/90/31/84/1037903184.db2.gz ULNDKXNRJWSNKQ-WIYYLYMNSA-N 1 3 360.498 2.757 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(OC(C)C)c(C)c3)C[C@H]1CNCC2 ZINC001236041284 1037903194 /nfs/dbraw/zinc/90/31/94/1037903194.db2.gz ULNDKXNRJWSNKQ-WIYYLYMNSA-N 1 3 360.498 2.757 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC001236074289 1037916864 /nfs/dbraw/zinc/91/68/64/1037916864.db2.gz WVZVIPADWDLOMP-OAQYLSRUSA-N 1 3 351.494 2.873 20 0 FFADHO CCN(CC[NH3+])Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001236145307 1037948668 /nfs/dbraw/zinc/94/86/68/1037948668.db2.gz YTGZTXPIAZNQRV-UHFFFAOYSA-N 1 3 352.526 2.789 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(-n3cccn3)cc1Cl)C2 ZINC001278869600 1037974585 /nfs/dbraw/zinc/97/45/85/1037974585.db2.gz FGIGLMPVXLLXNC-APWZRJJASA-N 1 3 373.932 2.593 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2CCCN(Cc3ccncc3)CC2)c1 ZINC001232145344 1038195778 /nfs/dbraw/zinc/19/57/78/1038195778.db2.gz QDNKHUYKWGSRIB-UHFFFAOYSA-N 1 3 356.489 2.990 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001255941906 1038265829 /nfs/dbraw/zinc/26/58/29/1038265829.db2.gz ZFVQHURABLALQI-BDXSIMOUSA-N 1 3 369.550 2.721 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001255941906 1038265840 /nfs/dbraw/zinc/26/58/40/1038265840.db2.gz ZFVQHURABLALQI-BDXSIMOUSA-N 1 3 369.550 2.721 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001255941908 1038266233 /nfs/dbraw/zinc/26/62/33/1038266233.db2.gz ZFVQHURABLALQI-MLHJIOFPSA-N 1 3 369.550 2.721 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001255941908 1038266242 /nfs/dbraw/zinc/26/62/42/1038266242.db2.gz ZFVQHURABLALQI-MLHJIOFPSA-N 1 3 369.550 2.721 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCOCCC(C)C)C[C@H]2C)C1 ZINC001208396320 1038283431 /nfs/dbraw/zinc/28/34/31/1038283431.db2.gz RULOZPYSXJEAFQ-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCOCCC(C)C)C[C@H]2C)C1 ZINC001208396320 1038283439 /nfs/dbraw/zinc/28/34/39/1038283439.db2.gz RULOZPYSXJEAFQ-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435066 1038311715 /nfs/dbraw/zinc/31/17/15/1038311715.db2.gz QKZZPJTTZCZVAP-OXQOHEQNSA-N 1 3 355.526 2.842 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N(CC)CC ZINC001208574687 1038420135 /nfs/dbraw/zinc/42/01/35/1038420135.db2.gz FIJZQVNGYCLPHD-KBAYOESNSA-N 1 3 351.560 2.848 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N(CC)CC ZINC001208574687 1038420140 /nfs/dbraw/zinc/42/01/40/1038420140.db2.gz FIJZQVNGYCLPHD-KBAYOESNSA-N 1 3 351.560 2.848 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCc2scnc2C)C[C@H]1C)[NH+](CC)CC ZINC001208575284 1038422542 /nfs/dbraw/zinc/42/25/42/1038422542.db2.gz MLFUVMIDMLVHAF-OIISXLGYSA-N 1 3 366.575 2.551 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CCN(C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC001208614609 1038450260 /nfs/dbraw/zinc/45/02/60/1038450260.db2.gz MFUXSIOKIZQOFQ-XLIONFOSSA-N 1 3 359.514 2.621 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CCN(C[C@@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC001208614609 1038450264 /nfs/dbraw/zinc/45/02/64/1038450264.db2.gz MFUXSIOKIZQOFQ-XLIONFOSSA-N 1 3 359.514 2.621 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C[C@H]3CCC[N@@H+](C)C3)C[C@H]12 ZINC001208616307 1038450476 /nfs/dbraw/zinc/45/04/76/1038450476.db2.gz YRMIMOUSIXZWOE-BVSLBCMMSA-N 1 3 355.526 2.593 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C[C@H]3CCC[N@H+](C)C3)C[C@H]12 ZINC001208616307 1038450479 /nfs/dbraw/zinc/45/04/79/1038450479.db2.gz YRMIMOUSIXZWOE-BVSLBCMMSA-N 1 3 355.526 2.593 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C[C@H]2CC[C@H](C(=O)OC)CC2)CC1 ZINC001208629155 1038458509 /nfs/dbraw/zinc/45/85/09/1038458509.db2.gz LEPIFVLQFGNNLC-ZHALLVOQSA-N 1 3 352.519 2.541 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C[C@H]2CC[C@H](C(=O)OC)CC2)CC1 ZINC001208629155 1038458512 /nfs/dbraw/zinc/45/85/12/1038458512.db2.gz LEPIFVLQFGNNLC-ZHALLVOQSA-N 1 3 352.519 2.541 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(Cc2ccc(Cl)cc2)C2CCS(=O)(=O)CC2)CC1 ZINC001256382179 1038493517 /nfs/dbraw/zinc/49/35/17/1038493517.db2.gz ZHJALWOGNHKEAF-QAQDUYKDSA-N 1 3 370.946 2.989 20 0 FFADHO C[C@@H]1C[C@H](N2CCN(CCC(C)(C)O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256561183 1038561103 /nfs/dbraw/zinc/56/11/03/1038561103.db2.gz WADWQNOJTGSSMW-TZIWHRDSSA-N 1 3 359.558 2.818 20 0 FFADHO C[C@@H]1C[C@H](N2CCN(CCC(C)(C)O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256561183 1038561106 /nfs/dbraw/zinc/56/11/06/1038561106.db2.gz WADWQNOJTGSSMW-TZIWHRDSSA-N 1 3 359.558 2.818 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc4ncoc4c3)(C1)CCC2 ZINC001278952882 1038586998 /nfs/dbraw/zinc/58/69/98/1038586998.db2.gz KWRFMCMSWQLSNO-UXHICEINSA-N 1 3 359.470 2.973 20 0 FFADHO Fc1cccc(CN2CC[C@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)c1 ZINC001256685797 1038602650 /nfs/dbraw/zinc/60/26/50/1038602650.db2.gz HCJZPWXQIUVNNK-KBWCOIMZSA-N 1 3 361.505 2.633 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CS2 ZINC001256688237 1038604207 /nfs/dbraw/zinc/60/42/07/1038604207.db2.gz USXVKMLWBRKEDU-ADKAHSJRSA-N 1 3 362.539 2.945 20 0 FFADHO c1coc(CN2CCO[C@@H]3CN([C@H]4CCC[N@@H+](C5CCCC5)C4)C[C@@H]3C2)c1 ZINC001256919693 1038657342 /nfs/dbraw/zinc/65/73/42/1038657342.db2.gz VJRLVGDUSCWTIB-RCZSKKKRSA-N 1 3 373.541 2.819 20 0 FFADHO c1coc(CN2CCO[C@@H]3CN([C@H]4CCC[N@H+](C5CCCC5)C4)C[C@@H]3C2)c1 ZINC001256919693 1038657346 /nfs/dbraw/zinc/65/73/46/1038657346.db2.gz VJRLVGDUSCWTIB-RCZSKKKRSA-N 1 3 373.541 2.819 20 0 FFADHO CNC(=O)C[N@@H+]1CCCC12CCN(CCCCOCc1ccccc1)CC2 ZINC001209254816 1038734722 /nfs/dbraw/zinc/73/47/22/1038734722.db2.gz SWYMLKOKTXBTBK-UHFFFAOYSA-N 1 3 373.541 2.660 20 0 FFADHO CNC(=O)C[N@H+]1CCCC12CCN(CCCCOCc1ccccc1)CC2 ZINC001209254816 1038734726 /nfs/dbraw/zinc/73/47/26/1038734726.db2.gz SWYMLKOKTXBTBK-UHFFFAOYSA-N 1 3 373.541 2.660 20 0 FFADHO CC(C)[NH+]1CCC(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)CC1 ZINC001257215993 1038747325 /nfs/dbraw/zinc/74/73/25/1038747325.db2.gz IXMIAKUQVBONDM-HXUWFJFHSA-N 1 3 355.526 2.855 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(F)cc1F ZINC001250885919 1038779398 /nfs/dbraw/zinc/77/93/98/1038779398.db2.gz OPKDXZVPTFRDMQ-KRWDZBQOSA-N 1 3 354.441 2.701 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(CCC[NH+]4CCCCC4)CCN3C2)c1 ZINC001209450801 1038874188 /nfs/dbraw/zinc/87/41/88/1038874188.db2.gz RDUUFMNGQSTNHF-TZIWHRDSSA-N 1 3 361.505 2.839 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(CCc2c[nH]c3ccccc23)CC1)C(F)(F)F ZINC001250995139 1038882393 /nfs/dbraw/zinc/88/23/93/1038882393.db2.gz ONKOHICDMSLLGR-KRWDZBQOSA-N 1 3 355.404 2.688 20 0 FFADHO COc1ccc(C2(C[NH2+]C3CCN(CC(C)C)CC3)CCOCC2)nc1 ZINC001258007950 1039106208 /nfs/dbraw/zinc/10/62/08/1039106208.db2.gz XRXQZYXPKCZHGB-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO COc1ccc(C2(CNC3CC[NH+](CC(C)C)CC3)CCOCC2)nc1 ZINC001258007950 1039106216 /nfs/dbraw/zinc/10/62/16/1039106216.db2.gz XRXQZYXPKCZHGB-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO COc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(F)cc1Cl ZINC001209667053 1039118418 /nfs/dbraw/zinc/11/84/18/1039118418.db2.gz XRDOEIUBIOJSIT-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO N[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001245980375 1039174671 /nfs/dbraw/zinc/17/46/71/1039174671.db2.gz CYIVYIZCMGTXKP-UWWQBHOKSA-N 1 3 353.466 2.920 20 0 FFADHO O[C@H](CNC[C@H]1CCC[NH2+]C1)COc1cccc2[nH]c3ccccc3c21 ZINC001245984103 1039176716 /nfs/dbraw/zinc/17/67/16/1039176716.db2.gz VCBIJZXCNUCFHV-JKSUJKDBSA-N 1 3 353.466 2.650 20 0 FFADHO CC(C)[C@H]([NH2+]C[C@]1(O)CCCNC1)C(O)(c1ccccc1)c1ccccc1 ZINC001246006856 1039187478 /nfs/dbraw/zinc/18/74/78/1039187478.db2.gz YKDUTEXHUVZGOU-VXKWHMMOSA-N 1 3 368.521 2.651 20 0 FFADHO Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246140308 1039255629 /nfs/dbraw/zinc/25/56/29/1039255629.db2.gz APXVWRLWFQAVHO-CRFBAAHOSA-N 1 3 354.416 2.710 20 0 FFADHO Fc1cc2c(c(F)c1F)C[C@@H](NC[C@@]13CCCO[C@@H]1CC[NH2+]C3)CC2 ZINC001246140308 1039255641 /nfs/dbraw/zinc/25/56/41/1039255641.db2.gz APXVWRLWFQAVHO-CRFBAAHOSA-N 1 3 354.416 2.710 20 0 FFADHO c1ccc([C@H]2C[C@@H](NCCN3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC001246195775 1039272695 /nfs/dbraw/zinc/27/26/95/1039272695.db2.gz PLJCKQIKPIXOLG-JTHBVZDNSA-N 1 3 364.537 2.892 20 0 FFADHO CC[C@@H]1C[C@H](N[C@@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246266214 1039292453 /nfs/dbraw/zinc/29/24/53/1039292453.db2.gz FZKWSYHCLUSIJB-BZUAXINKSA-N 1 3 370.278 2.879 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1[C@@H]1CCc3cc(F)ccc3C1)CC[NH2+]CC2 ZINC001246604030 1039410535 /nfs/dbraw/zinc/41/05/35/1039410535.db2.gz QGKVWJAZJQLETF-RTBURBONSA-N 1 3 360.473 2.690 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+]([C@H]4CC[C@@H](C)NC4)C[C@H]2C3)c1 ZINC001246706822 1039444239 /nfs/dbraw/zinc/44/42/39/1039444239.db2.gz RZCFSVGYCZRLTG-NWGLXNPWSA-N 1 3 366.509 2.808 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+]([C@H]4CC[C@@H](C)NC4)C[C@H]2C3)c1 ZINC001246706822 1039444243 /nfs/dbraw/zinc/44/42/43/1039444243.db2.gz RZCFSVGYCZRLTG-NWGLXNPWSA-N 1 3 366.509 2.808 20 0 FFADHO CN1Cc2ccccc2CC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1=O ZINC001246742776 1039458403 /nfs/dbraw/zinc/45/84/03/1039458403.db2.gz SSDNEFMSFMUHFP-YOFSQIOKSA-N 1 3 353.510 2.566 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CC[NH2+]1 ZINC001246757879 1039467679 /nfs/dbraw/zinc/46/76/79/1039467679.db2.gz YWJVFAMVONXBAK-RPUPUWCGSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246757879 1039467684 /nfs/dbraw/zinc/46/76/84/1039467684.db2.gz YWJVFAMVONXBAK-RPUPUWCGSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246757879 1039467686 /nfs/dbraw/zinc/46/76/86/1039467686.db2.gz YWJVFAMVONXBAK-RPUPUWCGSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@H](N2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756737 1039467789 /nfs/dbraw/zinc/46/77/89/1039467789.db2.gz NUNOOBCTXYADHM-UIFIKXQLSA-N 1 3 361.505 2.885 20 0 FFADHO CNC(=O)N[C@H]1CC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756558 1039468203 /nfs/dbraw/zinc/46/82/03/1039468203.db2.gz LNLZYSJZDPCQIK-UWVAXJGDSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@H]1CC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756558 1039468209 /nfs/dbraw/zinc/46/82/09/1039468209.db2.gz LNLZYSJZDPCQIK-UWVAXJGDSA-N 1 3 370.541 2.843 20 0 FFADHO Clc1ccc(CN2CCN(C3CCC4(CC3)C[NH2+]CCO4)CC2)cc1 ZINC001246829776 1039493463 /nfs/dbraw/zinc/49/34/63/1039493463.db2.gz FHHJDCIJBITSSU-UHFFFAOYSA-N 1 3 363.933 2.759 20 0 FFADHO CCC[NH+]1CCC(N2CCN3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)CC1 ZINC001258773410 1039507588 /nfs/dbraw/zinc/50/75/88/1039507588.db2.gz JDAKTVMPAAIPJY-YADHBBJMSA-N 1 3 372.557 2.540 20 0 FFADHO CCC[NH+]1CCC(N2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CC1 ZINC001258772947 1039508384 /nfs/dbraw/zinc/50/83/84/1039508384.db2.gz CSCKFNVNUGZQON-JOCHJYFZSA-N 1 3 371.525 2.998 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN([C@@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001246873577 1039511692 /nfs/dbraw/zinc/51/16/92/1039511692.db2.gz TUHQUEHJHNUIRT-CVEARBPZSA-N 1 3 354.325 2.958 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN([C@@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001246873600 1039512911 /nfs/dbraw/zinc/51/29/11/1039512911.db2.gz UIXKPQYKESRYNU-CVEARBPZSA-N 1 3 354.325 2.958 20 0 FFADHO COCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC001210426602 1039542263 /nfs/dbraw/zinc/54/22/63/1039542263.db2.gz IVKFZAUOBGVZQA-YLJYHZDGSA-N 1 3 361.530 2.501 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](OC)c2ccccc2)C[C@H]1C ZINC001210486262 1039575859 /nfs/dbraw/zinc/57/58/59/1039575859.db2.gz RPNBQEKMRVAHOA-RLLQIKCJSA-N 1 3 361.530 2.543 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](OC)c2ccccc2)C[C@H]1C ZINC001210486262 1039575875 /nfs/dbraw/zinc/57/58/75/1039575875.db2.gz RPNBQEKMRVAHOA-RLLQIKCJSA-N 1 3 361.530 2.543 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210836041 1039764596 /nfs/dbraw/zinc/76/45/96/1039764596.db2.gz GRBPOZHGNPRETE-SFHVURJKSA-N 1 3 350.551 2.959 20 0 FFADHO c1ccc(COc2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247829795 1039975674 /nfs/dbraw/zinc/97/56/74/1039975674.db2.gz JRHHNGUVYPGXAD-GOSISDBHSA-N 1 3 362.433 2.592 20 0 FFADHO c1ccc(COc2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247829798 1039975878 /nfs/dbraw/zinc/97/58/78/1039975878.db2.gz JRHHNGUVYPGXAD-SFHVURJKSA-N 1 3 362.433 2.592 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1(Cc2cccc(Cl)c2)CCOCC1 ZINC001253411939 1040158645 /nfs/dbraw/zinc/15/86/45/1040158645.db2.gz ZSWIBZRRRUIZEG-QGZVFWFLSA-N 1 3 354.922 2.770 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213074 1040342057 /nfs/dbraw/zinc/34/20/57/1040342057.db2.gz DOBFZAJLLKWLEG-LXORQPIJSA-N 1 3 365.562 2.670 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001254024237 1040527112 /nfs/dbraw/zinc/52/71/12/1040527112.db2.gz VNUPZVSMOVWHSH-QGZVFWFLSA-N 1 3 369.465 2.922 20 0 FFADHO OC1(C[NH+]2CCC3(CCOCC3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254039743 1040541803 /nfs/dbraw/zinc/54/18/03/1040541803.db2.gz JCAKOTHCABGSTB-UHFFFAOYSA-N 1 3 358.526 2.906 20 0 FFADHO Cn1ccc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)n1 ZINC001254043037 1040544185 /nfs/dbraw/zinc/54/41/85/1040544185.db2.gz YJEHTFNPEHLKMS-UHFFFAOYSA-N 1 3 368.525 2.627 20 0 FFADHO C[C@@](CO)([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001254053216 1040554551 /nfs/dbraw/zinc/55/45/51/1040554551.db2.gz JJUGVRTVWWYGNO-NRFANRHFSA-N 1 3 354.494 2.511 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213442668 1040555474 /nfs/dbraw/zinc/55/54/74/1040555474.db2.gz TVVTYQMFTHMDAM-HLIPFELVSA-N 1 3 371.541 2.595 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213442668 1040555490 /nfs/dbraw/zinc/55/54/90/1040555490.db2.gz TVVTYQMFTHMDAM-HLIPFELVSA-N 1 3 371.541 2.595 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(CC3CCC3)CC2)CC1=O ZINC001254236121 1040630921 /nfs/dbraw/zinc/63/09/21/1040630921.db2.gz CCMVOIRSOQOXOP-QGZVFWFLSA-N 1 3 365.518 2.767 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2CC[NH+](CC3CCC3)CC2)CC1=O ZINC001254236121 1040630932 /nfs/dbraw/zinc/63/09/32/1040630932.db2.gz CCMVOIRSOQOXOP-QGZVFWFLSA-N 1 3 365.518 2.767 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(CC3CCC3)CC2)CC1=O ZINC001254236119 1040631270 /nfs/dbraw/zinc/63/12/70/1040631270.db2.gz CCMVOIRSOQOXOP-KRWDZBQOSA-N 1 3 365.518 2.767 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](NC2CC[NH+](CC3CCC3)CC2)CC1=O ZINC001254236119 1040631291 /nfs/dbraw/zinc/63/12/91/1040631291.db2.gz CCMVOIRSOQOXOP-KRWDZBQOSA-N 1 3 365.518 2.767 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1OC)C(C)C ZINC001213592639 1040698025 /nfs/dbraw/zinc/69/80/25/1040698025.db2.gz CFCUQGVCHOCZGF-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001254474815 1040742957 /nfs/dbraw/zinc/74/29/57/1040742957.db2.gz SPDIWRGIGZRUBW-SFTDATJTSA-N 1 3 370.541 2.839 20 0 FFADHO C[N@@H+]1CCC[C@H](N[C@@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254505952 1040757867 /nfs/dbraw/zinc/75/78/67/1040757867.db2.gz MJJAUHQGUXLGEF-ABSDTBQOSA-N 1 3 367.534 2.619 20 0 FFADHO C[N@H+]1CCC[C@H](N[C@@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254505952 1040757884 /nfs/dbraw/zinc/75/78/84/1040757884.db2.gz MJJAUHQGUXLGEF-ABSDTBQOSA-N 1 3 367.534 2.619 20 0 FFADHO COc1ccc(NC(=O)NC2CCN([C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254531336 1040783110 /nfs/dbraw/zinc/78/31/10/1040783110.db2.gz JZLKCUHFZDOFGL-SFHVURJKSA-N 1 3 360.502 2.765 20 0 FFADHO COc1ccc(NC(=O)NC2CCN([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254531336 1040783120 /nfs/dbraw/zinc/78/31/20/1040783120.db2.gz JZLKCUHFZDOFGL-SFHVURJKSA-N 1 3 360.502 2.765 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001254532994 1040783773 /nfs/dbraw/zinc/78/37/73/1040783773.db2.gz ZRDGAEZLDUCDCM-UONOGXRCSA-N 1 3 358.408 2.823 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001254532994 1040783776 /nfs/dbraw/zinc/78/37/76/1040783776.db2.gz ZRDGAEZLDUCDCM-UONOGXRCSA-N 1 3 358.408 2.823 20 0 FFADHO CN1CCC[C@H]1CC[NH2+][C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685724 1040880368 /nfs/dbraw/zinc/88/03/68/1040880368.db2.gz HZTXAVGBYAHZGT-CABCVRRESA-N 1 3 355.548 2.555 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCN[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685724 1040880375 /nfs/dbraw/zinc/88/03/75/1040880375.db2.gz HZTXAVGBYAHZGT-CABCVRRESA-N 1 3 355.548 2.555 20 0 FFADHO C[N@H+]1CCC[C@H]1CCN[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685724 1040880385 /nfs/dbraw/zinc/88/03/85/1040880385.db2.gz HZTXAVGBYAHZGT-CABCVRRESA-N 1 3 355.548 2.555 20 0 FFADHO C[C@@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)[C@H](c1ccccc1)N(C)C ZINC001261376763 1041200843 /nfs/dbraw/zinc/20/08/43/1041200843.db2.gz XVBFJHUACXMPFG-IEBWSBKVSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCN([C@H]3CCSC3)CC2)C1 ZINC001255296379 1041258180 /nfs/dbraw/zinc/25/81/80/1041258180.db2.gz SSFXWGNGAAJNRV-HOCLYGCPSA-N 1 3 355.548 2.555 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CCN([C@H]3CCSC3)CC2)C1 ZINC001255296379 1041258197 /nfs/dbraw/zinc/25/81/97/1041258197.db2.gz SSFXWGNGAAJNRV-HOCLYGCPSA-N 1 3 355.548 2.555 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCN([C@@H]3CCSC3)CC2)C1 ZINC001255296377 1041258665 /nfs/dbraw/zinc/25/86/65/1041258665.db2.gz SSFXWGNGAAJNRV-GDBMZVCRSA-N 1 3 355.548 2.555 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CCN([C@@H]3CCSC3)CC2)C1 ZINC001255296377 1041258676 /nfs/dbraw/zinc/25/86/76/1041258676.db2.gz SSFXWGNGAAJNRV-GDBMZVCRSA-N 1 3 355.548 2.555 20 0 FFADHO c1ccc(CN2CCC[C@H]([N@@H+]3CC[C@H](Oc4cnccn4)C3)CC2)cc1 ZINC001255410527 1041328484 /nfs/dbraw/zinc/32/84/84/1041328484.db2.gz YNYVNIGSPQROOZ-PMACEKPBSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@H]([N@H+]3CC[C@H](Oc4cnccn4)C3)CC2)cc1 ZINC001255410527 1041328500 /nfs/dbraw/zinc/32/85/00/1041328500.db2.gz YNYVNIGSPQROOZ-PMACEKPBSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@@H]([N@@H+]3CC[C@H](Oc4ncccn4)C3)CC2)cc1 ZINC001255410421 1041329800 /nfs/dbraw/zinc/32/98/00/1041329800.db2.gz WTRWZNGCHGSJPE-UXHICEINSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@@H]([N@H+]3CC[C@H](Oc4ncccn4)C3)CC2)cc1 ZINC001255410421 1041329807 /nfs/dbraw/zinc/32/98/07/1041329807.db2.gz WTRWZNGCHGSJPE-UXHICEINSA-N 1 3 352.482 2.984 20 0 FFADHO O[C@H](COc1cccc(F)c1)C[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001250800555 1041371272 /nfs/dbraw/zinc/37/12/72/1041371272.db2.gz FVNNXTCPMQBCEO-ZJOUEHCJSA-N 1 3 370.468 2.629 20 0 FFADHO c1ccc(CN2C[C@H]3CC[C@@H](C2)C3[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001262204830 1041599792 /nfs/dbraw/zinc/59/97/92/1041599792.db2.gz COZGWFAODPAMDN-SXYMUXSESA-N 1 3 369.553 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC=C(Cl)Cl ZINC001215223835 1041705345 /nfs/dbraw/zinc/70/53/45/1041705345.db2.gz BFISHPKAWJQIST-XPKDYRNWSA-N 1 3 360.329 2.616 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001215381155 1041765793 /nfs/dbraw/zinc/76/57/93/1041765793.db2.gz PUGOWTTZMTZFPP-QLFBSQMISA-N 1 3 362.345 2.864 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001215381155 1041765798 /nfs/dbraw/zinc/76/57/98/1041765798.db2.gz PUGOWTTZMTZFPP-QLFBSQMISA-N 1 3 362.345 2.864 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001215973230 1041921153 /nfs/dbraw/zinc/92/11/53/1041921153.db2.gz YJKBFTQRRFPAQY-CEXWTWQISA-N 1 3 353.551 2.504 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2OC)C1 ZINC001215999134 1041927343 /nfs/dbraw/zinc/92/73/43/1041927343.db2.gz QRWRSWMJLZLOSP-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2Cl)C1 ZINC001215998991 1041927739 /nfs/dbraw/zinc/92/77/39/1041927739.db2.gz KSCYFZXUWDJDIS-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001216213633 1041978737 /nfs/dbraw/zinc/97/87/37/1041978737.db2.gz PDWRVVRJKDGBLS-QWQRMKEZSA-N 1 3 353.457 2.804 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001216213633 1041978745 /nfs/dbraw/zinc/97/87/45/1041978745.db2.gz PDWRVVRJKDGBLS-QWQRMKEZSA-N 1 3 353.457 2.804 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc2c(c1)OCCNC2 ZINC001263092720 1042097380 /nfs/dbraw/zinc/09/73/80/1042097380.db2.gz CGQXPWVBABGIRE-FQEVSTJZSA-N 1 3 365.477 2.736 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)OCC[NH2+]C2 ZINC001263092720 1042097386 /nfs/dbraw/zinc/09/73/86/1042097386.db2.gz CGQXPWVBABGIRE-FQEVSTJZSA-N 1 3 365.477 2.736 20 0 FFADHO CCOc1ccccc1[C@H](N)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263092694 1042097943 /nfs/dbraw/zinc/09/79/43/1042097943.db2.gz BKEKHSKTZGJBQC-AZUAARDMSA-N 1 3 367.493 2.866 20 0 FFADHO CCOc1ccccc1[C@H](N)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263092694 1042097950 /nfs/dbraw/zinc/09/79/50/1042097950.db2.gz BKEKHSKTZGJBQC-AZUAARDMSA-N 1 3 367.493 2.866 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1)[NH+]1CCCC1 ZINC001216846725 1042142560 /nfs/dbraw/zinc/14/25/60/1042142560.db2.gz VVKPVEPBNUPOJN-FMKPAKJESA-N 1 3 362.345 2.862 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCCC[C@@]23CCC[NH2+]C3)cc(Cl)n1 ZINC001263329219 1042243703 /nfs/dbraw/zinc/24/37/03/1042243703.db2.gz ZSUZGGNGSHAJOR-YJBOKZPZSA-N 1 3 350.894 2.568 20 0 FFADHO CC[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1ccccn1)N(C)C ZINC001264023003 1042587515 /nfs/dbraw/zinc/58/75/15/1042587515.db2.gz ZGOFXPRAUCCKGQ-YZGWKJHDSA-N 1 3 360.546 2.919 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccc2cc[nH]c2c1 ZINC001264169888 1042650815 /nfs/dbraw/zinc/65/08/15/1042650815.db2.gz ZSSYJOGLDQKUDS-APWZRJJASA-N 1 3 356.514 2.979 20 0 FFADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)[C@@H]1CC)N(CC)CC ZINC001264618599 1042749500 /nfs/dbraw/zinc/74/95/00/1042749500.db2.gz LRNAUSUONXOOIG-IPMKNSEASA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)[C@@H]1CC)N(CC)CC ZINC001264618599 1042749507 /nfs/dbraw/zinc/74/95/07/1042749507.db2.gz LRNAUSUONXOOIG-IPMKNSEASA-N 1 3 353.551 2.503 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCCCc3ccccc3)CC[C@@H]2C1 ZINC001264652924 1042770896 /nfs/dbraw/zinc/77/08/96/1042770896.db2.gz BQOXJPIOBRGWLS-UXHICEINSA-N 1 3 366.509 2.755 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCCCc3ccccc3)CC[C@@H]2C1 ZINC001264652924 1042770902 /nfs/dbraw/zinc/77/09/02/1042770902.db2.gz BQOXJPIOBRGWLS-UXHICEINSA-N 1 3 366.509 2.755 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC001265777979 1042876566 /nfs/dbraw/zinc/87/65/66/1042876566.db2.gz YNSHDIKVQAFAOT-HACGYAERSA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC001265777979 1042876573 /nfs/dbraw/zinc/87/65/73/1042876573.db2.gz YNSHDIKVQAFAOT-HACGYAERSA-N 1 3 355.885 2.804 20 0 FFADHO CSc1ccc(CN2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)cc1 ZINC001279188185 1042938560 /nfs/dbraw/zinc/93/85/60/1042938560.db2.gz GPXWDEDQSMOITQ-HXUWFJFHSA-N 1 3 363.571 2.637 20 0 FFADHO C[NH+](C)CCN1CCC2(CN(Cc3c[nH]c(-c4ccccc4F)c3)C2)C1 ZINC001279331529 1043005866 /nfs/dbraw/zinc/00/58/66/1043005866.db2.gz JJZPJWUWAVDSOJ-UHFFFAOYSA-N 1 3 356.489 2.890 20 0 FFADHO CCOc1ncccc1CN1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279405940 1043066557 /nfs/dbraw/zinc/06/65/57/1043066557.db2.gz CTIYPENCUFLPQY-NRFANRHFSA-N 1 3 360.546 2.720 20 0 FFADHO CCOc1cccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001279451448 1043130750 /nfs/dbraw/zinc/13/07/50/1043130750.db2.gz PUOCZGUBCCKFAZ-UHFFFAOYSA-N 1 3 354.498 2.880 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc3ccnc(Cl)c3c2)CCC12C[NH2+]C2 ZINC001237429166 1043155193 /nfs/dbraw/zinc/15/51/93/1043155193.db2.gz DMBJVMZGIGLMOL-KRWDZBQOSA-N 1 3 373.884 2.863 20 0 FFADHO CC1(C[NH+]2CCC3(CCN(Cc4cccc(=O)[nH]4)C3)CC2)CCOCC1 ZINC001279476523 1043159768 /nfs/dbraw/zinc/15/97/68/1043159768.db2.gz QLGAVOANUJGDHV-UHFFFAOYSA-N 1 3 359.514 2.892 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCCC2(CCN(Cc3cnc(N)nc3)CC2)C1 ZINC001279531856 1043230877 /nfs/dbraw/zinc/23/08/77/1043230877.db2.gz RUCCFGVZJKLHKH-UHFFFAOYSA-N 1 3 372.542 2.702 20 0 FFADHO Cc1ncsc1C[N@H+]1CCCC2(CCN(Cc3cnc(N)nc3)CC2)C1 ZINC001279531856 1043230888 /nfs/dbraw/zinc/23/08/88/1043230888.db2.gz RUCCFGVZJKLHKH-UHFFFAOYSA-N 1 3 372.542 2.702 20 0 FFADHO Cc1cncc(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279574400 1043280927 /nfs/dbraw/zinc/28/09/27/1043280927.db2.gz SPJSCRXKQWVFCA-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cncc(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279574400 1043280939 /nfs/dbraw/zinc/28/09/39/1043280939.db2.gz SPJSCRXKQWVFCA-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)cn3)(C1)CCC2 ZINC001279631988 1043372641 /nfs/dbraw/zinc/37/26/41/1043372641.db2.gz RAVMEINENRNIBP-MSOLQXFVSA-N 1 3 353.894 2.880 20 0 FFADHO C[C@@H](CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12)C(F)(F)F ZINC001278153304 1043394217 /nfs/dbraw/zinc/39/42/17/1043394217.db2.gz XYGYYBNRUPTPAY-BPUTZDHNSA-N 1 3 373.463 2.640 20 0 FFADHO C[C@@H](CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12)C(F)(F)F ZINC001278153304 1043394228 /nfs/dbraw/zinc/39/42/28/1043394228.db2.gz XYGYYBNRUPTPAY-BPUTZDHNSA-N 1 3 373.463 2.640 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC001311399102 1043908362 /nfs/dbraw/zinc/90/83/62/1043908362.db2.gz KVRFUJKYPFPNHA-ZVDOUQERSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)C2)cc1 ZINC001311399102 1043908367 /nfs/dbraw/zinc/90/83/67/1043908367.db2.gz KVRFUJKYPFPNHA-ZVDOUQERSA-N 1 3 372.557 2.989 20 0 FFADHO CC[C@@H](C)c1nn(C)cc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279974355 1044015564 /nfs/dbraw/zinc/01/55/64/1044015564.db2.gz PPBZYSWTYFTULG-GOSISDBHSA-N 1 3 361.578 2.783 20 0 FFADHO CC[C@@H](C)c1nn(C)cc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279974355 1044015575 /nfs/dbraw/zinc/01/55/75/1044015575.db2.gz PPBZYSWTYFTULG-GOSISDBHSA-N 1 3 361.578 2.783 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H]1CCCCN1C ZINC001312219320 1044071578 /nfs/dbraw/zinc/07/15/78/1044071578.db2.gz OYKSWPSKJBNJQM-QWFCFKBJSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)CN1Cc1ccccc1 ZINC001312252852 1044077920 /nfs/dbraw/zinc/07/79/20/1044077920.db2.gz ITKMZZYKIGFQDF-MJGOQNOKSA-N 1 3 360.546 2.879 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001312457434 1044118376 /nfs/dbraw/zinc/11/83/76/1044118376.db2.gz UJLWXCJNPMUZIP-CMKODMSKSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001312457434 1044118383 /nfs/dbraw/zinc/11/83/83/1044118383.db2.gz UJLWXCJNPMUZIP-CMKODMSKSA-N 1 3 360.546 2.927 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001312455119 1044118509 /nfs/dbraw/zinc/11/85/09/1044118509.db2.gz GXRAMTIEBLZNCX-BJLQDIEVSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[C@H]1N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC12CCCC2 ZINC001312993812 1044207552 /nfs/dbraw/zinc/20/75/52/1044207552.db2.gz CZIYBDZIZACXQG-ZWKOTPCHSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[C@H]1N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC12CCCC2 ZINC001312993812 1044207561 /nfs/dbraw/zinc/20/75/61/1044207561.db2.gz CZIYBDZIZACXQG-ZWKOTPCHSA-N 1 3 352.567 2.869 20 0 FFADHO Cc1nc(-c2cccc(CN3CCN(C)CC3)c2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001240287908 1044299153 /nfs/dbraw/zinc/29/91/53/1044299153.db2.gz WWMFFLKVBQASPX-HXUWFJFHSA-N 1 3 365.525 2.666 20 0 FFADHO CN(C)CCC[N@@H+]1CCC[C@]2(CCN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001280221224 1044414581 /nfs/dbraw/zinc/41/45/81/1044414581.db2.gz POJZRVQMIFPLPQ-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CCC[N@H+]1CCC[C@]2(CCN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001280221224 1044414590 /nfs/dbraw/zinc/41/45/90/1044414590.db2.gz POJZRVQMIFPLPQ-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO C[NH+](C)CCCN1CCC[C@]2(CCN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001280221224 1044414591 /nfs/dbraw/zinc/41/45/91/1044414591.db2.gz POJZRVQMIFPLPQ-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313865829 1044433028 /nfs/dbraw/zinc/43/30/28/1044433028.db2.gz PGKPNHWKXFSVJH-SJORKVTESA-N 1 3 360.550 2.560 20 0 FFADHO Cc1noc(NC(=O)[C@@]23C[C@@H]2CN(CC2(C[NH+](C)C)CCCC2)C3)c1C ZINC001280236155 1044444165 /nfs/dbraw/zinc/44/41/65/1044444165.db2.gz CQYFWQPYKTVVAU-OXQOHEQNSA-N 1 3 360.502 2.674 20 0 FFADHO CC(C)CCN1CCC([NH+]2CCC(C(=O)N3CCCCO3)CC2)CC1 ZINC001280265976 1044499797 /nfs/dbraw/zinc/49/97/97/1044499797.db2.gz AEUOXFLGPNMQAK-UHFFFAOYSA-N 1 3 351.535 2.763 20 0 FFADHO CSCCC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C)CC2)CC1 ZINC001280276782 1044521256 /nfs/dbraw/zinc/52/12/56/1044521256.db2.gz XJFCNXXXVAGSIF-UHFFFAOYSA-N 1 3 355.592 2.831 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1ccccn1 ZINC001316717452 1044549832 /nfs/dbraw/zinc/54/98/32/1044549832.db2.gz HWBDPJWSJIGWAA-UYAOXDASSA-N 1 3 360.546 2.919 20 0 FFADHO Fc1cc(-c2cnc(N3CC[NH2+]CC3)nc2)ccc1CN1CCCCC1 ZINC001241899554 1044631822 /nfs/dbraw/zinc/63/18/22/1044631822.db2.gz ICKSPRGTMCQZDZ-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001316705943 1044801544 /nfs/dbraw/zinc/80/15/44/1044801544.db2.gz DIJGTLKLCXQOKZ-CVEARBPZSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1CCOC1CCCCCC1 ZINC001316790885 1044985188 /nfs/dbraw/zinc/98/51/88/1044985188.db2.gz QRJHUUJGRNUZRS-MJGOQNOKSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccccc2OC(C)C)CC[N@@H+]1C ZINC001317243281 1045068732 /nfs/dbraw/zinc/06/87/32/1045068732.db2.gz WUDNUSZLLVNKLB-NZSAHSFTSA-N 1 3 361.530 2.798 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccccc2OC(C)C)CC[N@H+]1C ZINC001317243281 1045068744 /nfs/dbraw/zinc/06/87/44/1045068744.db2.gz WUDNUSZLLVNKLB-NZSAHSFTSA-N 1 3 361.530 2.798 20 0 FFADHO Cc1csc(CNCC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001319753025 1045262316 /nfs/dbraw/zinc/26/23/16/1045262316.db2.gz XFAUWSWNTIQZFP-BRWVUGGUSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1csc(CNCC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001319753025 1045262324 /nfs/dbraw/zinc/26/23/24/1045262324.db2.gz XFAUWSWNTIQZFP-BRWVUGGUSA-N 1 3 364.559 2.653 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001322740297 1046206543 /nfs/dbraw/zinc/20/65/43/1046206543.db2.gz IYXNHMYOHQFKKN-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)C1(C(=O)OC)CCC1 ZINC001325036710 1046348502 /nfs/dbraw/zinc/34/85/02/1046348502.db2.gz IFIKJIYODZUJRO-FQEVSTJZSA-N 1 3 373.541 2.646 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001326006580 1046719286 /nfs/dbraw/zinc/71/92/86/1046719286.db2.gz PAODCVGWSMDQPA-QZTJIDSGSA-N 1 3 358.530 2.793 20 0 FFADHO COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001326311005 1046867774 /nfs/dbraw/zinc/86/77/74/1046867774.db2.gz NTTIYCGHZBFXMM-QGZVFWFLSA-N 1 3 359.514 2.680 20 0 FFADHO Cn1cc(N2CC[C@@H]([NH2+][C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)cn1 ZINC001332365949 1048364838 /nfs/dbraw/zinc/36/48/38/1048364838.db2.gz SJKAUPHASQXDED-WOZUAGRISA-N 1 3 365.525 2.642 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@H]3C[C@H]4C[C@@H](C3)[N@H+](Cc3ccccc3)C4)C2)cn1 ZINC001332365949 1048364849 /nfs/dbraw/zinc/36/48/49/1048364849.db2.gz SJKAUPHASQXDED-WOZUAGRISA-N 1 3 365.525 2.642 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)cn1 ZINC001332365949 1048364855 /nfs/dbraw/zinc/36/48/55/1048364855.db2.gz SJKAUPHASQXDED-WOZUAGRISA-N 1 3 365.525 2.642 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC001329567754 1048779913 /nfs/dbraw/zinc/77/99/13/1048779913.db2.gz AWAGCOFERRRNJN-UHFFFAOYSA-N 1 3 350.466 2.684 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC3(N4CCSCC4)CCCC3)C[N@@H+]2C1 ZINC001540956931 1071036789 /nfs/dbraw/zinc/03/67/89/1071036789.db2.gz WADWPDXZQSKXIM-SQNIBIBYSA-N 1 3 365.587 2.585 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC3(N4CCSCC4)CCCC3)C[N@H+]2C1 ZINC001540956931 1071036796 /nfs/dbraw/zinc/03/67/96/1071036796.db2.gz WADWPDXZQSKXIM-SQNIBIBYSA-N 1 3 365.587 2.585 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)C1 ZINC001333681750 1049052107 /nfs/dbraw/zinc/05/21/07/1049052107.db2.gz YENQOMOCMYDMFL-FCGDIQPGSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)C1 ZINC001333681750 1049052117 /nfs/dbraw/zinc/05/21/17/1049052117.db2.gz YENQOMOCMYDMFL-FCGDIQPGSA-N 1 3 350.551 2.623 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc(Cl)n1 ZINC001330918717 1049391729 /nfs/dbraw/zinc/39/17/29/1049391729.db2.gz UZRLWRCDWVUEIR-RHSMWYFYSA-N 1 3 373.888 2.566 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001295996851 1050010087 /nfs/dbraw/zinc/01/00/87/1050010087.db2.gz OJSYQHXDEIRWMN-HZPDHXFCSA-N 1 3 360.550 2.559 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(F)cc1 ZINC001342331140 1050924435 /nfs/dbraw/zinc/92/44/35/1050924435.db2.gz NLLUTTHKARFHNE-BZSNNMDCSA-N 1 3 350.482 2.600 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1[nH]nc2c1COCC2 ZINC001341058913 1051400024 /nfs/dbraw/zinc/40/00/24/1051400024.db2.gz DAERQZCXLIPTJS-JIPZTSHUSA-N 1 3 354.498 2.729 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342801677 1051410441 /nfs/dbraw/zinc/41/04/41/1051410441.db2.gz LKKDZZDWRVOKRV-QGZVFWFLSA-N 1 3 360.550 2.562 20 0 FFADHO Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H](c1cccs1)N(C)C ZINC001304806646 1051710616 /nfs/dbraw/zinc/71/06/16/1051710616.db2.gz FLNJMFLNCXOZQI-HYVNUMGLSA-N 1 3 374.558 2.624 20 0 FFADHO Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](c1cccs1)N(C)C ZINC001304806646 1051710631 /nfs/dbraw/zinc/71/06/31/1051710631.db2.gz FLNJMFLNCXOZQI-HYVNUMGLSA-N 1 3 374.558 2.624 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001341464884 1051819678 /nfs/dbraw/zinc/81/96/78/1051819678.db2.gz IBWGURBVPSFAIN-OPYAIIAOSA-N 1 3 357.498 2.656 20 0 FFADHO COCC[C@@H](CNC[C@H](C)C[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC001308216714 1052432575 /nfs/dbraw/zinc/43/25/75/1052432575.db2.gz XORYUVKZIATSFD-IRXDYDNUSA-N 1 3 357.539 2.628 20 0 FFADHO COCC[C@@H](C[NH2+]C[C@H](C)CN1CCCCC1)NC(=O)OC(C)(C)C ZINC001308216714 1052432580 /nfs/dbraw/zinc/43/25/80/1052432580.db2.gz XORYUVKZIATSFD-IRXDYDNUSA-N 1 3 357.539 2.628 20 0 FFADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001308807261 1052502262 /nfs/dbraw/zinc/50/22/62/1052502262.db2.gz RWKMQEDJHJHQTE-GOSISDBHSA-N 1 3 369.550 2.722 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCN(C)C2)c(OC)c1 ZINC001336021796 1053710317 /nfs/dbraw/zinc/71/03/17/1053710317.db2.gz TVPFKSNVGDDPJM-ZSKSOVMSSA-N 1 3 362.514 2.790 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])N(C)C)cc1 ZINC001336101684 1053769547 /nfs/dbraw/zinc/76/95/47/1053769547.db2.gz WAVYEVQGHIRORH-CUWPLCDZSA-N 1 3 374.529 2.599 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)N2CCCC2)cc1 ZINC001336778922 1054220554 /nfs/dbraw/zinc/22/05/54/1054220554.db2.gz DSRCYDNEVRFCCS-MISYRCLQSA-N 1 3 358.530 2.758 20 0 FFADHO O[C@H](CCc1ccccc1)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001338504558 1055574929 /nfs/dbraw/zinc/57/49/29/1055574929.db2.gz DMRLIDINVQOURI-JOCHJYFZSA-N 1 3 368.521 2.597 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)COc3ccccc3)CC2)CC1 ZINC000847361950 1055596480 /nfs/dbraw/zinc/59/64/80/1055596480.db2.gz IPLUECDABFHLRD-GOSISDBHSA-N 1 3 373.541 2.766 20 0 FFADHO COCCN(C)CCOc1cccc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000849073219 1055629860 /nfs/dbraw/zinc/62/98/60/1055629860.db2.gz WAIGZKGKFDWRML-UHFFFAOYSA-N 1 3 362.518 2.590 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc2ccccc2[nH]1 ZINC001350536240 1055819879 /nfs/dbraw/zinc/81/98/79/1055819879.db2.gz RDADIHLGLHMUEU-INIZCTEOSA-N 1 3 359.518 2.581 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc2ccccc2[nH]1 ZINC001350536240 1055819890 /nfs/dbraw/zinc/81/98/90/1055819890.db2.gz RDADIHLGLHMUEU-INIZCTEOSA-N 1 3 359.518 2.581 20 0 FFADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001357397125 1055891610 /nfs/dbraw/zinc/89/16/10/1055891610.db2.gz OLAPKGBFXRUKAF-XLIONFOSSA-N 1 3 361.917 2.810 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001338887907 1055904460 /nfs/dbraw/zinc/90/44/60/1055904460.db2.gz POVODLUNGVIZCP-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cccc2c1OCCNC2 ZINC001353517109 1056488002 /nfs/dbraw/zinc/48/80/02/1056488002.db2.gz ASEHXPKQKLVXRN-UHFFFAOYSA-N 1 3 371.525 2.943 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NCCN1CCCCC1 ZINC001200430526 1056671171 /nfs/dbraw/zinc/67/11/71/1056671171.db2.gz NUYDCFIBWWOOEQ-FQEVSTJZSA-N 1 3 374.598 2.801 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NCCN1CCCCC1 ZINC001200430526 1056671180 /nfs/dbraw/zinc/67/11/80/1056671180.db2.gz NUYDCFIBWWOOEQ-FQEVSTJZSA-N 1 3 374.598 2.801 20 0 FFADHO Cc1noc(C)c1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849100000 1056759669 /nfs/dbraw/zinc/75/96/69/1056759669.db2.gz OQCBJGHYNKLQHQ-UHFFFAOYSA-N 1 3 355.486 2.613 20 0 FFADHO CN1CCN(CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000849108255 1056763050 /nfs/dbraw/zinc/76/30/50/1056763050.db2.gz NZSQQSJLTCBEKU-UHFFFAOYSA-N 1 3 373.423 2.547 20 0 FFADHO CC(C)Oc1cccc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001499231309 1058272023 /nfs/dbraw/zinc/27/20/23/1058272023.db2.gz ZEHABFRTBYEGFQ-VQIMIIECSA-N 1 3 359.514 2.552 20 0 FFADHO CC(C)Oc1cccc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001499231309 1058272035 /nfs/dbraw/zinc/27/20/35/1058272035.db2.gz ZEHABFRTBYEGFQ-VQIMIIECSA-N 1 3 359.514 2.552 20 0 FFADHO CCC1([NH+](C)C)CCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)CC1 ZINC001518245527 1058315843 /nfs/dbraw/zinc/31/58/43/1058315843.db2.gz YKFHEZWIVVKVTB-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO CC[C@H](C)[N@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001545657265 1071828215 /nfs/dbraw/zinc/82/82/15/1071828215.db2.gz JNBMFGYAFZHCEU-SFHVURJKSA-N 1 3 364.582 2.910 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001545657265 1071828228 /nfs/dbraw/zinc/82/82/28/1071828228.db2.gz JNBMFGYAFZHCEU-SFHVURJKSA-N 1 3 364.582 2.910 20 0 FFADHO Cc1nc(CNCC(C)(C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001505812660 1059405625 /nfs/dbraw/zinc/40/56/25/1059405625.db2.gz BCVMPMYTLOCUMY-GDBMZVCRSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1nc(CNCC(C)(C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C ZINC001505812660 1059405634 /nfs/dbraw/zinc/40/56/34/1059405634.db2.gz BCVMPMYTLOCUMY-GDBMZVCRSA-N 1 3 366.575 2.674 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1)C(C)C ZINC001355156480 1059936908 /nfs/dbraw/zinc/93/69/08/1059936908.db2.gz CTXLIKKMTZXFAU-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1)C(C)C ZINC001355156480 1059936931 /nfs/dbraw/zinc/93/69/31/1059936931.db2.gz CTXLIKKMTZXFAU-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN1C1CCCC1 ZINC001520684869 1059959241 /nfs/dbraw/zinc/95/92/41/1059959241.db2.gz KLTVSXDPURBFLM-VQIMIIECSA-N 1 3 365.587 2.679 20 0 FFADHO C[C@H](CC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21)C1CC[NH2+]CC1 ZINC001355233122 1060018120 /nfs/dbraw/zinc/01/81/20/1060018120.db2.gz RNDDTRRFVXMKDW-NZSAHSFTSA-N 1 3 371.525 2.521 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccco1 ZINC001457812305 1060450357 /nfs/dbraw/zinc/45/03/57/1060450357.db2.gz IUXUVQSQVBRGLA-BQFCYCMXSA-N 1 3 356.470 2.747 20 0 FFADHO CC[NH+]1CCC(CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC001462512738 1061653661 /nfs/dbraw/zinc/65/36/61/1061653661.db2.gz XQRDREBGVFEFGL-INIZCTEOSA-N 1 3 353.869 2.906 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)cc1 ZINC001528401026 1061893634 /nfs/dbraw/zinc/89/36/34/1061893634.db2.gz MODKYDMXJJHODR-UIXUWTQFSA-N 1 3 359.514 2.535 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)cc1 ZINC001528401026 1061893647 /nfs/dbraw/zinc/89/36/47/1061893647.db2.gz MODKYDMXJJHODR-UIXUWTQFSA-N 1 3 359.514 2.535 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCN1C ZINC001478285180 1061963826 /nfs/dbraw/zinc/96/38/26/1061963826.db2.gz UPKAVGGQCRZQDR-QNDFHXLGSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCN1C ZINC001478285180 1061963844 /nfs/dbraw/zinc/96/38/44/1061963844.db2.gz UPKAVGGQCRZQDR-QNDFHXLGSA-N 1 3 370.541 2.679 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC001479157721 1062257905 /nfs/dbraw/zinc/25/79/05/1062257905.db2.gz VJXXNEBQGGHUBI-UXHICEINSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)C2)cc1 ZINC001479157721 1062257924 /nfs/dbraw/zinc/25/79/24/1062257924.db2.gz VJXXNEBQGGHUBI-UXHICEINSA-N 1 3 358.530 2.693 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2sc(C)nc2C)CC[N@@H+]1C ZINC001479844788 1063005381 /nfs/dbraw/zinc/00/53/81/1063005381.db2.gz CQMOIMPEAPEGQO-DLBZAZTESA-N 1 3 366.575 2.818 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2sc(C)nc2C)CC[N@H+]1C ZINC001479844788 1063005401 /nfs/dbraw/zinc/00/54/01/1063005401.db2.gz CQMOIMPEAPEGQO-DLBZAZTESA-N 1 3 366.575 2.818 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2ccc(Cl)s2)CC[N@@H+]1C ZINC001497585165 1063728259 /nfs/dbraw/zinc/72/82/59/1063728259.db2.gz GBUTWSLQWUPESV-ZYOQUQOHSA-N 1 3 355.935 2.894 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2ccc(Cl)s2)CC[N@H+]1C ZINC001497585165 1063728270 /nfs/dbraw/zinc/72/82/70/1063728270.db2.gz GBUTWSLQWUPESV-ZYOQUQOHSA-N 1 3 355.935 2.894 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CC(c2ccccc2)C1 ZINC001469955897 1064232618 /nfs/dbraw/zinc/23/26/18/1064232618.db2.gz HDEQIZIRDUVOLI-ZJRDLVKKSA-N 1 3 360.546 2.751 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CC(c2ccccc2)C1 ZINC001469955897 1064232623 /nfs/dbraw/zinc/23/26/23/1064232623.db2.gz HDEQIZIRDUVOLI-ZJRDLVKKSA-N 1 3 360.546 2.751 20 0 FFADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001470011756 1064242922 /nfs/dbraw/zinc/24/29/22/1064242922.db2.gz WWGPPILECJMBHS-UYAOXDASSA-N 1 3 361.505 2.980 20 0 FFADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC001470011756 1064242927 /nfs/dbraw/zinc/24/29/27/1064242927.db2.gz WWGPPILECJMBHS-UYAOXDASSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)C1(c2ccccc2)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC001470771499 1064445212 /nfs/dbraw/zinc/44/52/12/1064445212.db2.gz IIIXZUWSAPYVDQ-IBGZPJMESA-N 1 3 374.573 2.878 20 0 FFADHO CC(C)C1(c2ccccc2)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC001470771499 1064445215 /nfs/dbraw/zinc/44/52/15/1064445215.db2.gz IIIXZUWSAPYVDQ-IBGZPJMESA-N 1 3 374.573 2.878 20 0 FFADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001575410554 1078138250 /nfs/dbraw/zinc/13/82/50/1078138250.db2.gz SODXBVLOHBDDEG-AEFFLSMTSA-N 1 3 353.457 2.633 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001575423839 1078139522 /nfs/dbraw/zinc/13/95/22/1078139522.db2.gz YYLYHMUAMJCBBK-KCZVDYSFSA-N 1 3 372.557 2.974 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC001576309697 1078214121 /nfs/dbraw/zinc/21/41/21/1078214121.db2.gz CMUIJVOWNLPLCK-HKUYNNGSSA-N 1 3 356.514 2.750 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CC[NH2+]CC1)c1ccco1 ZINC001577684782 1078387538 /nfs/dbraw/zinc/38/75/38/1078387538.db2.gz KIEPUIYUVYXLBA-KRWDZBQOSA-N 1 3 372.517 2.631 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC001577760486 1078397271 /nfs/dbraw/zinc/39/72/71/1078397271.db2.gz VVAFLLXQARGOOZ-ZIFCJYIRSA-N 1 3 370.545 2.847 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)cc1 ZINC001579691196 1078663767 /nfs/dbraw/zinc/66/37/67/1078663767.db2.gz QDACZJBLUWGPKQ-LWUIHUKISA-N 1 3 355.526 2.839 20 0 FFADHO [NH3+]CC1(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CCCC1 ZINC001580244789 1078773015 /nfs/dbraw/zinc/77/30/15/1078773015.db2.gz AVQKYTLYEUZWIN-INIZCTEOSA-N 1 3 351.441 2.532 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001548829076 1073453675 /nfs/dbraw/zinc/45/36/75/1073453675.db2.gz UONCXCHUYVDCIK-HKJQZYRSSA-N 1 3 354.498 2.750 20 0 FFADHO [NH3+][C@H]1C[C@H]1c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC001550100295 1074144389 /nfs/dbraw/zinc/14/43/89/1074144389.db2.gz ZUOFOQMUORUMLT-SFTDATJTSA-N 1 3 364.493 2.652 20 0 FFADHO NC(=O)C1CC[NH+](Cc2ccc(CNc3cc(N)ncc3Cl)cc2)CC1 ZINC001550626051 1074406448 /nfs/dbraw/zinc/40/64/48/1074406448.db2.gz IIZBGWHEXIUEJL-UHFFFAOYSA-N 1 3 373.888 2.627 20 0 FFADHO CN(C)C(=O)c1cccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1 ZINC001551238575 1074658940 /nfs/dbraw/zinc/65/89/40/1074658940.db2.gz MWFAUWQTFYKUHX-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@@H](n2cncn2)C1 ZINC001551398472 1074716037 /nfs/dbraw/zinc/71/60/37/1074716037.db2.gz FFZIMBYLVWQCNA-XGGXVBFMSA-N 1 3 361.534 2.631 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC001551515288 1074743795 /nfs/dbraw/zinc/74/37/95/1074743795.db2.gz FOMSXTUPYKWGMI-PMACEKPBSA-N 1 3 368.481 2.510 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3cccc(F)c3)C[N@@H+]2C1 ZINC001584098897 1079306430 /nfs/dbraw/zinc/30/64/30/1079306430.db2.gz NIUYMOIOVIYBEJ-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3cccc(F)c3)C[N@H+]2C1 ZINC001584098897 1079306438 /nfs/dbraw/zinc/30/64/38/1079306438.db2.gz NIUYMOIOVIYBEJ-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO NC(=O)[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C(F)(F)F ZINC001552078910 1074925389 /nfs/dbraw/zinc/92/53/89/1074925389.db2.gz FDAOPGGPSJLULB-SJORKVTESA-N 1 3 369.431 2.768 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC001552348063 1075063318 /nfs/dbraw/zinc/06/33/18/1075063318.db2.gz ULVMBYUTDDXAAJ-JKSUJKDBSA-N 1 3 364.559 2.731 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(SC(F)(F)F)o1 ZINC001557450593 1075850493 /nfs/dbraw/zinc/85/04/93/1075850493.db2.gz OUFYYGVDTFLDIV-NSHDSACASA-N 1 3 367.437 2.893 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(SC(F)(F)F)o1 ZINC001557450593 1075850500 /nfs/dbraw/zinc/85/05/00/1075850500.db2.gz OUFYYGVDTFLDIV-NSHDSACASA-N 1 3 367.437 2.893 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC001558132260 1075948081 /nfs/dbraw/zinc/94/80/81/1075948081.db2.gz PIFODFVEPKXGTB-WIYYLYMNSA-N 1 3 364.493 2.783 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001565097553 1076685539 /nfs/dbraw/zinc/68/55/39/1076685539.db2.gz LEEXGMNPDSBOEM-QGZVFWFLSA-N 1 3 350.551 2.909 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001565097553 1076685542 /nfs/dbraw/zinc/68/55/42/1076685542.db2.gz LEEXGMNPDSBOEM-QGZVFWFLSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C[N@@H+]2C1 ZINC001565792899 1076767256 /nfs/dbraw/zinc/76/72/56/1076767256.db2.gz PXRLEDKGMVEUGH-PBASOCQRSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C[N@H+]2C1 ZINC001565792899 1076767260 /nfs/dbraw/zinc/76/72/60/1076767260.db2.gz PXRLEDKGMVEUGH-PBASOCQRSA-N 1 3 355.526 2.888 20 0 FFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3nc[nH]c3C)C2)c1 ZINC001565916388 1076800538 /nfs/dbraw/zinc/80/05/38/1076800538.db2.gz HKEATJQIWPKZTR-QILLFSRXSA-N 1 3 370.497 2.905 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001565972577 1076820368 /nfs/dbraw/zinc/82/03/68/1076820368.db2.gz GSRYPBRBVFYOBE-QYZOEREBSA-N 1 3 367.578 2.608 20 0 FFADHO COCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001565984000 1076828546 /nfs/dbraw/zinc/82/85/46/1076828546.db2.gz AQRDTEPRJRKGMI-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO C[C@H](C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C(=O)CN1CCCC1 ZINC001568318983 1077086187 /nfs/dbraw/zinc/08/61/87/1077086187.db2.gz IRWFQWGZXFTTIF-AYBZRNKSSA-N 1 3 365.468 2.568 20 0 FFADHO CC(C)C[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)CC1CC[NH+](C)CC1 ZINC001589626444 1080642648 /nfs/dbraw/zinc/64/26/48/1080642648.db2.gz VLIWXQIXLURPRL-UHFFFAOYSA-N 1 3 360.481 2.806 20 0 FFADHO CC(C)C[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)CC1CC[NH+](C)CC1 ZINC001589626444 1080642650 /nfs/dbraw/zinc/64/26/50/1080642650.db2.gz VLIWXQIXLURPRL-UHFFFAOYSA-N 1 3 360.481 2.806 20 0 FFADHO CC(C)C[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)CC1CC[NH+](C)CC1 ZINC001589626444 1080642652 /nfs/dbraw/zinc/64/26/52/1080642652.db2.gz VLIWXQIXLURPRL-UHFFFAOYSA-N 1 3 360.481 2.806 20 0 FFADHO CC(C)C[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)CC1CC[NH+](C)CC1 ZINC001589626444 1080642655 /nfs/dbraw/zinc/64/26/55/1080642655.db2.gz VLIWXQIXLURPRL-UHFFFAOYSA-N 1 3 360.481 2.806 20 0 FFADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000420416831 514140863 /nfs/dbraw/zinc/14/08/63/514140863.db2.gz VYEUCOAUKHPLNP-NEPJUHHUSA-N 1 3 372.282 2.834 20 0 FFADHO Cc1ccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000102807158 250122548 /nfs/dbraw/zinc/12/25/48/250122548.db2.gz JIAZZTHSBODLSH-UHFFFAOYSA-N 1 3 364.559 2.757 20 0 FFADHO Cc1c([C@@H](C)NC2CCN(CC[NH+](C)C)CC2)nnn1-c1ccc(C)cc1 ZINC000268740846 251370705 /nfs/dbraw/zinc/37/07/05/251370705.db2.gz DADCBQFPALGPKN-QGZVFWFLSA-N 1 3 370.545 2.561 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000267393633 251343810 /nfs/dbraw/zinc/34/38/10/251343810.db2.gz XHDAVYXPDQCDCX-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO COCCCOCCN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000272341259 252015020 /nfs/dbraw/zinc/01/50/20/252015020.db2.gz HYBSSWVDZKMLGS-UHFFFAOYSA-N 1 3 363.546 2.702 20 0 FFADHO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272407587 252030921 /nfs/dbraw/zinc/03/09/21/252030921.db2.gz FHARPDUDNRDIGJ-XLIONFOSSA-N 1 3 367.493 2.551 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272420078 252035312 /nfs/dbraw/zinc/03/53/12/252035312.db2.gz BHNBJDBTBGQPGE-HZEGPAAWSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272420078 252035315 /nfs/dbraw/zinc/03/53/15/252035315.db2.gz BHNBJDBTBGQPGE-HZEGPAAWSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000272731796 252115774 /nfs/dbraw/zinc/11/57/74/252115774.db2.gz KVPDVLKDQYDQBY-GOSISDBHSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000272889750 252156630 /nfs/dbraw/zinc/15/66/30/252156630.db2.gz ZBXGUNUWMPUKJH-ZWKOTPCHSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000272889750 252156634 /nfs/dbraw/zinc/15/66/34/252156634.db2.gz ZBXGUNUWMPUKJH-ZWKOTPCHSA-N 1 3 358.530 2.847 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000273236023 252259221 /nfs/dbraw/zinc/25/92/21/252259221.db2.gz PKMMXQDUEIYDBC-UHFFFAOYSA-N 1 3 353.457 2.587 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278465244 256315598 /nfs/dbraw/zinc/31/55/98/256315598.db2.gz JKBOGFYDSBTIFB-URVUXULASA-N 1 3 359.558 2.988 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000285477590 256987760 /nfs/dbraw/zinc/98/77/60/256987760.db2.gz BOAMWMIIRVCYPL-GHTZIAJQSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000285526806 256990661 /nfs/dbraw/zinc/99/06/61/256990661.db2.gz KPHLEYVQEMYWHQ-CEMLEFRQSA-N 1 3 357.542 2.836 20 0 FFADHO Cn1cc([C@H](O)CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000286176566 257023945 /nfs/dbraw/zinc/02/39/45/257023945.db2.gz QRLCULSUNMSZNY-ZHHKINOHSA-N 1 3 368.525 2.734 20 0 FFADHO Cn1cc([C@H](O)CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000286176566 257023946 /nfs/dbraw/zinc/02/39/46/257023946.db2.gz QRLCULSUNMSZNY-ZHHKINOHSA-N 1 3 368.525 2.734 20 0 FFADHO Cn1cc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000286176566 257023947 /nfs/dbraw/zinc/02/39/47/257023947.db2.gz QRLCULSUNMSZNY-ZHHKINOHSA-N 1 3 368.525 2.734 20 0 FFADHO CN1CCC(Nc2cc(NC3CC[NH+](C)CC3)c3ccncc3n2)CC1 ZINC000286305642 257030311 /nfs/dbraw/zinc/03/03/11/257030311.db2.gz YTJNPOBSMZOWEW-UHFFFAOYSA-N 1 3 354.502 2.642 20 0 FFADHO CCN1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000286845507 257058177 /nfs/dbraw/zinc/05/81/77/257058177.db2.gz ZYEUKIWGYFJSBN-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO CCN1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000286845507 257058178 /nfs/dbraw/zinc/05/81/78/257058178.db2.gz ZYEUKIWGYFJSBN-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CCOC1 ZINC000287421661 257088459 /nfs/dbraw/zinc/08/84/59/257088459.db2.gz KCTXVCGBBCMDRE-XNBWIAOKSA-N 1 3 372.553 2.912 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@H](c1ccccc1)N(C)C ZINC000288167102 257154748 /nfs/dbraw/zinc/15/47/48/257154748.db2.gz OYFLPHQVISUJQM-MTFMMBMASA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@H](c1ccccc1)N(C)C ZINC000288167102 257154749 /nfs/dbraw/zinc/15/47/49/257154749.db2.gz OYFLPHQVISUJQM-MTFMMBMASA-N 1 3 358.530 2.804 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C34CCCN3CCC4)cc2)CC1 ZINC000290420103 257331077 /nfs/dbraw/zinc/33/10/77/257331077.db2.gz RQCHGGMSSADSKM-UHFFFAOYSA-N 1 3 356.514 2.784 20 0 FFADHO COC[C@H]([NH2+]Cc1ccc(F)c(CN[C@H](COC)C2CC2)c1)C1CC1 ZINC000295022425 257612596 /nfs/dbraw/zinc/61/25/96/257612596.db2.gz QSMUGYTYZLGLEY-VQTJNVASSA-N 1 3 350.478 2.855 20 0 FFADHO CCc1cc(N2CCN(C(=O)CN3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000301812428 258068745 /nfs/dbraw/zinc/06/87/45/258068745.db2.gz YCSHCACVMKZYLI-UHFFFAOYSA-N 1 3 352.482 2.542 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333118339 258250977 /nfs/dbraw/zinc/25/09/77/258250977.db2.gz ADORNJXHZCRBSF-IRXDYDNUSA-N 1 3 368.591 2.507 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414731148 514261049 /nfs/dbraw/zinc/26/10/49/514261049.db2.gz AERVVMRRUUOORO-CABCVRRESA-N 1 3 351.457 2.873 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414731148 514261053 /nfs/dbraw/zinc/26/10/53/514261053.db2.gz AERVVMRRUUOORO-CABCVRRESA-N 1 3 351.457 2.873 20 0 FFADHO O[C@@H](C[NH2+][C@H]1CCCc2ccc(Br)cc21)CN1CCCC1 ZINC000092740549 508098947 /nfs/dbraw/zinc/09/89/47/508098947.db2.gz HRYKWOFSVIUHDQ-RDJZCZTQSA-N 1 3 353.304 2.873 20 0 FFADHO C[C@@H](NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000369173607 512266191 /nfs/dbraw/zinc/26/61/91/512266191.db2.gz JBFDFAWARBPVSN-XMSQKQJNSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@@H](NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000369173607 512266198 /nfs/dbraw/zinc/26/61/98/512266198.db2.gz JBFDFAWARBPVSN-XMSQKQJNSA-N 1 3 370.541 2.848 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066173616 506434283 /nfs/dbraw/zinc/43/42/83/506434283.db2.gz KGSLGCAQBPZREE-PMACEKPBSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066175187 506435161 /nfs/dbraw/zinc/43/51/61/506435161.db2.gz CIUVFGZBFNLYBI-IRXDYDNUSA-N 1 3 362.543 2.765 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC000054509289 506567937 /nfs/dbraw/zinc/56/79/37/506567937.db2.gz YBJNZBYTMGJWMT-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC000054509289 506567945 /nfs/dbraw/zinc/56/79/45/506567945.db2.gz YBJNZBYTMGJWMT-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045191357 506930040 /nfs/dbraw/zinc/93/00/40/506930040.db2.gz XZMCGEIXEWEDAV-SFHVURJKSA-N 1 3 358.530 2.956 20 0 FFADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)N1CCc2sccc2C1 ZINC000056494147 507029797 /nfs/dbraw/zinc/02/97/97/507029797.db2.gz BKYJJQKAEGWYSY-UHFFFAOYSA-N 1 3 361.555 2.831 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000068565479 507272880 /nfs/dbraw/zinc/27/28/80/507272880.db2.gz QTNXKRWDLHWZMU-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO CC[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000047884611 507408106 /nfs/dbraw/zinc/40/81/06/507408106.db2.gz HTEITUBUZXYEOQ-OAQYLSRUSA-N 1 3 372.557 2.995 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000048395062 507517384 /nfs/dbraw/zinc/51/73/84/507517384.db2.gz FZGGCULDMQZXNW-NRFANRHFSA-N 1 3 372.557 2.866 20 0 FFADHO CN1CCC2(CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000371360145 512352903 /nfs/dbraw/zinc/35/29/03/512352903.db2.gz CERAHINXJLRBGL-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000050136985 507667160 /nfs/dbraw/zinc/66/71/60/507667160.db2.gz VVNRJHGKZKNCLM-SJORKVTESA-N 1 3 366.575 2.990 20 0 FFADHO CC(C)Oc1cccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797461 507713509 /nfs/dbraw/zinc/71/35/09/507713509.db2.gz KZXBMAPWRZFRGA-UHFFFAOYSA-N 1 3 373.541 2.691 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3c(F)cccc3Cl)CC2)CC1 ZINC000050802151 507715758 /nfs/dbraw/zinc/71/57/58/507715758.db2.gz KTZAOOHBIJBNKE-UHFFFAOYSA-N 1 3 367.896 2.696 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCCOc3ccccc3)CC2)CC1 ZINC000050802000 507716311 /nfs/dbraw/zinc/71/63/11/507716311.db2.gz AEEUMGFYRBSPGJ-UHFFFAOYSA-N 1 3 359.514 2.520 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3nc(C4CC4)cs3)CC2)CC1 ZINC000051235918 507752946 /nfs/dbraw/zinc/75/29/46/507752946.db2.gz YFSWMMDLLDLWIN-UHFFFAOYSA-N 1 3 363.531 2.701 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CN3CCC(C[NH+]4CCCC4)CC3)c2cc1C ZINC000051907946 507789473 /nfs/dbraw/zinc/78/94/73/507789473.db2.gz XPWUYJZRZBGEEA-FQEVSTJZSA-N 1 3 370.541 2.822 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000107329590 507844140 /nfs/dbraw/zinc/84/41/40/507844140.db2.gz TUMBBIHZHXTZFU-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H]1CCC[C@@H]([NH+]2CCC3(CC2)NC(=N)Nc2nc4ccccc4n23)C1 ZINC000073002685 507883281 /nfs/dbraw/zinc/88/32/81/507883281.db2.gz WXNJKXAUOAECHY-LSDHHAIUSA-N 1 3 352.486 2.913 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000090038771 507903566 /nfs/dbraw/zinc/90/35/66/507903566.db2.gz BZSCVWMPPNIUNB-KRWDZBQOSA-N 1 3 369.509 2.707 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079007794 507924075 /nfs/dbraw/zinc/92/40/75/507924075.db2.gz AATYVHJXPNJPSR-YLJYHZDGSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079007794 507924076 /nfs/dbraw/zinc/92/40/76/507924076.db2.gz AATYVHJXPNJPSR-YLJYHZDGSA-N 1 3 356.514 2.607 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000073495360 507925715 /nfs/dbraw/zinc/92/57/15/507925715.db2.gz DHAMXUCDHWFHHF-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000073495360 507925717 /nfs/dbraw/zinc/92/57/17/507925717.db2.gz DHAMXUCDHWFHHF-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524555 507926021 /nfs/dbraw/zinc/92/60/21/507926021.db2.gz UHRWZZSBLRHWSF-MNEFBYGVSA-N 1 3 360.498 2.876 20 0 FFADHO CC(C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[NH+]1CCC(C)CC1 ZINC000073651805 507942841 /nfs/dbraw/zinc/94/28/41/507942841.db2.gz MCCPSEUTKLKTCV-CEXWTWQISA-N 1 3 350.551 2.621 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000073657256 507943694 /nfs/dbraw/zinc/94/36/94/507943694.db2.gz QMHBHNMAHLSGHI-HBMCJLEFSA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000073657256 507943696 /nfs/dbraw/zinc/94/36/96/507943696.db2.gz QMHBHNMAHLSGHI-HBMCJLEFSA-N 1 3 370.541 2.701 20 0 FFADHO O=C(NCC[NH+]1CCCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000079224259 507946387 /nfs/dbraw/zinc/94/63/87/507946387.db2.gz ZUKWSFPZEAOCRG-MRXNPFEDSA-N 1 3 350.532 2.670 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079285900 507950491 /nfs/dbraw/zinc/95/04/91/507950491.db2.gz FDNQCJHPEPZMGE-OAQYLSRUSA-N 1 3 370.541 2.705 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC000079599586 507981032 /nfs/dbraw/zinc/98/10/32/507981032.db2.gz RTZFGRWTHSOXRV-DLBZAZTESA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC000079599586 507981036 /nfs/dbraw/zinc/98/10/36/507981036.db2.gz RTZFGRWTHSOXRV-DLBZAZTESA-N 1 3 364.534 2.782 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000074109376 507988511 /nfs/dbraw/zinc/98/85/11/507988511.db2.gz NKBIEPQWSBUJRH-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000074109376 507988513 /nfs/dbraw/zinc/98/85/13/507988513.db2.gz NKBIEPQWSBUJRH-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000079734653 507997112 /nfs/dbraw/zinc/99/71/12/507997112.db2.gz VUZUZWIJFUCTKK-NRFANRHFSA-N 1 3 368.525 2.720 20 0 FFADHO CC(C)[NH+](CCNC(=O)CCCN1CCN(c2ccccc2)CC1)C(C)C ZINC000109929580 507997530 /nfs/dbraw/zinc/99/75/30/507997530.db2.gz QUHHDRPDDTUDQV-UHFFFAOYSA-N 1 3 374.573 2.824 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000080124543 508041543 /nfs/dbraw/zinc/04/15/43/508041543.db2.gz HLFDMYFTDIZIED-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000080124543 508041546 /nfs/dbraw/zinc/04/15/46/508041546.db2.gz HLFDMYFTDIZIED-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000110718562 508043414 /nfs/dbraw/zinc/04/34/14/508043414.db2.gz WPBCJMCRIIBZKD-IAGOWNOFSA-N 1 3 371.447 2.761 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)COC2 ZINC000092162898 508047226 /nfs/dbraw/zinc/04/72/26/508047226.db2.gz JWYPHWDILLJNKC-LJQANCHMSA-N 1 3 360.502 2.597 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)COC2 ZINC000092162898 508047228 /nfs/dbraw/zinc/04/72/28/508047228.db2.gz JWYPHWDILLJNKC-LJQANCHMSA-N 1 3 360.502 2.597 20 0 FFADHO CN(c1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000371401973 512378535 /nfs/dbraw/zinc/37/85/35/512378535.db2.gz SZGVYWVDPQNDTK-UGKGYDQZSA-N 1 3 373.541 2.645 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000092500698 508075258 /nfs/dbraw/zinc/07/52/58/508075258.db2.gz LJGQQWBTKHYRQY-KRWDZBQOSA-N 1 3 361.534 2.670 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000075329090 508098415 /nfs/dbraw/zinc/09/84/15/508098415.db2.gz SKAPIMAVJMCYAS-LJQANCHMSA-N 1 3 372.557 2.632 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000075329090 508098417 /nfs/dbraw/zinc/09/84/17/508098417.db2.gz SKAPIMAVJMCYAS-LJQANCHMSA-N 1 3 372.557 2.632 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000377654249 512378776 /nfs/dbraw/zinc/37/87/76/512378776.db2.gz QVAZOXZPIVWVQM-JOCHJYFZSA-N 1 3 357.542 2.872 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000377654249 512378783 /nfs/dbraw/zinc/37/87/83/512378783.db2.gz QVAZOXZPIVWVQM-JOCHJYFZSA-N 1 3 357.542 2.872 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111875299 508133157 /nfs/dbraw/zinc/13/31/57/508133157.db2.gz LVDAXKVJMUDJMN-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111875299 508133160 /nfs/dbraw/zinc/13/31/60/508133160.db2.gz LVDAXKVJMUDJMN-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000075800621 508134114 /nfs/dbraw/zinc/13/41/14/508134114.db2.gz NPZIPQZYTIKTGD-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO CN1CCN(CCCC[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000075800728 508134196 /nfs/dbraw/zinc/13/41/96/508134196.db2.gz IJFCKQHZJWXCCN-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000112740499 508218150 /nfs/dbraw/zinc/21/81/50/508218150.db2.gz ZTNKWMLJKQMEJT-MRXNPFEDSA-N 1 3 350.532 2.622 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000112746941 508219850 /nfs/dbraw/zinc/21/98/50/508219850.db2.gz WDXGVUYNHWAGKB-HXUWFJFHSA-N 1 3 358.530 2.869 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1)C(C)C ZINC000101663799 508253503 /nfs/dbraw/zinc/25/35/03/508253503.db2.gz YVMUULZVQHGFST-UHFFFAOYSA-N 1 3 357.502 2.927 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1)C(C)C ZINC000101663799 508253505 /nfs/dbraw/zinc/25/35/05/508253505.db2.gz YVMUULZVQHGFST-UHFFFAOYSA-N 1 3 357.502 2.927 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103305319 508305894 /nfs/dbraw/zinc/30/58/94/508305894.db2.gz WRYBBXNXDBEUOH-OAQYLSRUSA-N 1 3 372.557 2.582 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000103305319 508305896 /nfs/dbraw/zinc/30/58/96/508305896.db2.gz WRYBBXNXDBEUOH-OAQYLSRUSA-N 1 3 372.557 2.582 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000103305565 508306094 /nfs/dbraw/zinc/30/60/94/508306094.db2.gz RSWMYRBIZRQXNI-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000085418127 508307804 /nfs/dbraw/zinc/30/78/04/508307804.db2.gz STRZJUUBDJIPHR-MJGOQNOKSA-N 1 3 352.567 2.726 20 0 FFADHO CC(C)[C@H](C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000085457034 508309412 /nfs/dbraw/zinc/30/94/12/508309412.db2.gz WGHHIQLOMWSZKU-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114829255 508351274 /nfs/dbraw/zinc/35/12/74/508351274.db2.gz FHPUIQSBQWUISD-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088509635 508374107 /nfs/dbraw/zinc/37/41/07/508374107.db2.gz PMUUHMFBMXHIKV-FGTMMUONSA-N 1 3 364.534 2.719 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088509635 508374110 /nfs/dbraw/zinc/37/41/10/508374110.db2.gz PMUUHMFBMXHIKV-FGTMMUONSA-N 1 3 364.534 2.719 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000077838239 508383216 /nfs/dbraw/zinc/38/32/16/508383216.db2.gz RGDPEXFXEVJVLS-UXHICEINSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000089215594 508391028 /nfs/dbraw/zinc/39/10/28/508391028.db2.gz XHBXGDSSRWGWAX-INIZCTEOSA-N 1 3 363.469 2.625 20 0 FFADHO C[NH2+]CC1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000152261690 508411378 /nfs/dbraw/zinc/41/13/78/508411378.db2.gz LUNQNDDJXLJUMP-GOSISDBHSA-N 1 3 357.542 2.788 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000115785711 508436649 /nfs/dbraw/zinc/43/66/49/508436649.db2.gz JCSBUHXVUWPSGT-QUCCMNQESA-N 1 3 360.546 2.835 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000115785711 508436653 /nfs/dbraw/zinc/43/66/53/508436653.db2.gz JCSBUHXVUWPSGT-QUCCMNQESA-N 1 3 360.546 2.835 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)[NH+]1CCCC1 ZINC000115792893 508437812 /nfs/dbraw/zinc/43/78/12/508437812.db2.gz SRMRVNABHWWPQY-PKOBYXMFSA-N 1 3 352.567 2.870 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000115797956 508438799 /nfs/dbraw/zinc/43/87/99/508438799.db2.gz GHSXLEAWPPQOSM-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000115797956 508438803 /nfs/dbraw/zinc/43/88/03/508438803.db2.gz GHSXLEAWPPQOSM-ICSRJNTNSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000127499198 508459547 /nfs/dbraw/zinc/45/95/47/508459547.db2.gz XFESIUVPJMWWMI-POAQFYNOSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000127499198 508459552 /nfs/dbraw/zinc/45/95/52/508459552.db2.gz XFESIUVPJMWWMI-POAQFYNOSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000128124970 508551721 /nfs/dbraw/zinc/55/17/21/508551721.db2.gz WEKMTUNMBDUYFP-ZFWWWQNUSA-N 1 3 357.420 2.943 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000128209366 508563354 /nfs/dbraw/zinc/56/33/54/508563354.db2.gz RERLLLSWRQPGNC-HIFRSBDPSA-N 1 3 373.419 2.823 20 0 FFADHO Cc1ccc(Cc2nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cs2)cc1 ZINC000157626604 508589298 /nfs/dbraw/zinc/58/92/98/508589298.db2.gz OXNJXGCSCZBGNI-UHFFFAOYSA-N 1 3 374.554 2.608 20 0 FFADHO O[C@H]1[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCC12CCOCC2 ZINC000367248260 512405357 /nfs/dbraw/zinc/40/53/57/512405357.db2.gz ZACXOLZGXFQXJA-XLIONFOSSA-N 1 3 350.547 2.941 20 0 FFADHO O[C@H]1[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)CCC12CCOCC2 ZINC000367248260 512405360 /nfs/dbraw/zinc/40/53/60/512405360.db2.gz ZACXOLZGXFQXJA-XLIONFOSSA-N 1 3 350.547 2.941 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(C[C@H](O)c3ccccc3Cl)CC2)CC1 ZINC000367252245 512407219 /nfs/dbraw/zinc/40/72/19/512407219.db2.gz PWLYGLUKZFKNQD-IBGZPJMESA-N 1 3 365.949 2.723 20 0 FFADHO COCCN(C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000153767978 508645410 /nfs/dbraw/zinc/64/54/10/508645410.db2.gz MEVKMDKVLPOPHV-CQSZACIVSA-N 1 3 351.882 2.540 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCCN3C)cc2)C1 ZINC000139532340 508790175 /nfs/dbraw/zinc/79/01/75/508790175.db2.gz BAJARLXHERYWEF-PXNSSMCTSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCCN3C)cc2)C1 ZINC000139532340 508790181 /nfs/dbraw/zinc/79/01/81/508790181.db2.gz BAJARLXHERYWEF-PXNSSMCTSA-N 1 3 358.530 2.812 20 0 FFADHO CCN1CCN(CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000154471849 508791981 /nfs/dbraw/zinc/79/19/81/508791981.db2.gz CPKPMYOGTAUASH-UHFFFAOYSA-N 1 3 372.601 2.701 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnc4ccccc43)CC2)CC1 ZINC000124405242 508826805 /nfs/dbraw/zinc/82/68/05/508826805.db2.gz MIMDEJQJQDDSIG-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000130726982 508836783 /nfs/dbraw/zinc/83/67/83/508836783.db2.gz OQIZSKIGUXKYHO-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000130726982 508836787 /nfs/dbraw/zinc/83/67/87/508836787.db2.gz OQIZSKIGUXKYHO-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000120064081 508920732 /nfs/dbraw/zinc/92/07/32/508920732.db2.gz MZEYTWLQCHANSL-UHFFFAOYSA-N 1 3 360.502 2.684 20 0 FFADHO CCN(C(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C1CCCCC1 ZINC000155107844 508925049 /nfs/dbraw/zinc/92/50/49/508925049.db2.gz DSHWLEJLABNWMR-MSOLQXFVSA-N 1 3 367.578 2.581 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000125285005 508959801 /nfs/dbraw/zinc/95/98/01/508959801.db2.gz AALYHCLHKJDGLS-HXUWFJFHSA-N 1 3 360.546 2.786 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000125285005 508959805 /nfs/dbraw/zinc/95/98/05/508959805.db2.gz AALYHCLHKJDGLS-HXUWFJFHSA-N 1 3 360.546 2.786 20 0 FFADHO CC(C)(C)OCCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120280781 508963735 /nfs/dbraw/zinc/96/37/35/508963735.db2.gz YBLAIAAEQPCOHL-UHFFFAOYSA-N 1 3 353.551 2.506 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3cnn(C)c3)CC2)c1 ZINC000125330011 508966649 /nfs/dbraw/zinc/96/66/49/508966649.db2.gz AMESRLXIIPZYCS-IBGZPJMESA-N 1 3 355.530 2.982 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000155312945 508975004 /nfs/dbraw/zinc/97/50/04/508975004.db2.gz IAMPCMJNGZVUSD-MJGOQNOKSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000155312945 508975005 /nfs/dbraw/zinc/97/50/05/508975005.db2.gz IAMPCMJNGZVUSD-MJGOQNOKSA-N 1 3 365.562 2.647 20 0 FFADHO C[NH+]1CCC(N(CCO)Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000155508120 509016354 /nfs/dbraw/zinc/01/63/54/509016354.db2.gz JQIQKOWMPDLGAL-UHFFFAOYSA-N 1 3 364.493 2.914 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000155656527 509046494 /nfs/dbraw/zinc/04/64/94/509046494.db2.gz FDQISFOPCRGESM-ROUUACIJSA-N 1 3 355.530 2.857 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000120765860 509060982 /nfs/dbraw/zinc/06/09/82/509060982.db2.gz KCGPZRFYMNAYBV-SFTDATJTSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000120765860 509060987 /nfs/dbraw/zinc/06/09/87/509060987.db2.gz KCGPZRFYMNAYBV-SFTDATJTSA-N 1 3 372.557 2.928 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC000120938954 509093081 /nfs/dbraw/zinc/09/30/81/509093081.db2.gz RNABVPIRPPIFKZ-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)c(OC)c1 ZINC000120938954 509093084 /nfs/dbraw/zinc/09/30/84/509093084.db2.gz RNABVPIRPPIFKZ-JKSUJKDBSA-N 1 3 363.502 2.742 20 0 FFADHO CC[C@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000126626532 509104473 /nfs/dbraw/zinc/10/44/73/509104473.db2.gz IIRXUBKEIVDRTR-WMZOPIPTSA-N 1 3 350.551 2.813 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1CSCCN1 ZINC000133382481 509153028 /nfs/dbraw/zinc/15/30/28/509153028.db2.gz DWIUEOQTBFFCSO-HNNXBMFYSA-N 1 3 355.573 2.514 20 0 FFADHO CC[C@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000182337075 509181689 /nfs/dbraw/zinc/18/16/89/509181689.db2.gz KTZMIKVHVRODFT-DZFGPLHGSA-N 1 3 373.541 2.703 20 0 FFADHO CC1(C)C[C@H]([NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)C(C)(C)O1 ZINC000247957796 509199134 /nfs/dbraw/zinc/19/91/34/509199134.db2.gz FUPRLTYEIQBWAB-MOPGFXCFSA-N 1 3 373.541 2.820 20 0 FFADHO CC[C@@H](NCc1ccccc1CN1CC[NH+](CC)CC1)c1nccn1C ZINC000182474893 509257837 /nfs/dbraw/zinc/25/78/37/509257837.db2.gz FHPFUZXRTAPMNN-HXUWFJFHSA-N 1 3 355.530 2.799 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CN1C1CC1 ZINC000185620046 509269241 /nfs/dbraw/zinc/26/92/41/509269241.db2.gz SJHCGJWYGUIMFF-IAGOWNOFSA-N 1 3 350.551 2.956 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccccc1 ZINC000179130639 509278032 /nfs/dbraw/zinc/27/80/32/509278032.db2.gz AFZGOPMRIWQHPD-RBUKOAKNSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H](C)N1CCOCC1 ZINC000248415637 509307177 /nfs/dbraw/zinc/30/71/77/509307177.db2.gz OLKBIVJGZHIRSM-MKJVIKKCSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H](C)N1CCOCC1 ZINC000248415637 509307185 /nfs/dbraw/zinc/30/71/85/509307185.db2.gz OLKBIVJGZHIRSM-MKJVIKKCSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H](C)N1CCOCC1 ZINC000248415637 509307194 /nfs/dbraw/zinc/30/71/94/509307194.db2.gz OLKBIVJGZHIRSM-MKJVIKKCSA-N 1 3 357.542 2.596 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000163256861 509357411 /nfs/dbraw/zinc/35/74/11/509357411.db2.gz SGKFXBCMUYZRTM-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000163256861 509357416 /nfs/dbraw/zinc/35/74/16/509357416.db2.gz SGKFXBCMUYZRTM-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc2)CC1 ZINC000173047308 509366476 /nfs/dbraw/zinc/36/64/76/509366476.db2.gz KGXHRQHKWZSTKK-GOSISDBHSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000248648058 509416395 /nfs/dbraw/zinc/41/63/95/509416395.db2.gz TYVXBFFITAOMNQ-SEVLPDGMSA-N 1 3 355.526 2.525 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CN1C1CC1 ZINC000163935423 509442901 /nfs/dbraw/zinc/44/29/01/509442901.db2.gz HLCFBTCXMMITDU-RBBKRZOGSA-N 1 3 370.585 2.799 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179462910 509455348 /nfs/dbraw/zinc/45/53/48/509455348.db2.gz UQWCVSIADFEQFE-RTWAWAEBSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000248757547 509473686 /nfs/dbraw/zinc/47/36/86/509473686.db2.gz GHABWUWPWWLPOB-YLJYHZDGSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1Cc2ccccc2CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176383258 509479382 /nfs/dbraw/zinc/47/93/82/509479382.db2.gz XXSZDJWCPWHJJG-QGZVFWFLSA-N 1 3 370.541 2.701 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000176397759 509486632 /nfs/dbraw/zinc/48/66/32/509486632.db2.gz ZXTYQPFWLPLSCA-IRXDYDNUSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@H+]1CCC[C@H](C)C1 ZINC000176397759 509486642 /nfs/dbraw/zinc/48/66/42/509486642.db2.gz ZXTYQPFWLPLSCA-IRXDYDNUSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000248799795 509489893 /nfs/dbraw/zinc/48/98/93/509489893.db2.gz ZVZWGCJXMAHERE-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000248799795 509489896 /nfs/dbraw/zinc/48/98/96/509489896.db2.gz ZVZWGCJXMAHERE-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000176402853 509491130 /nfs/dbraw/zinc/49/11/30/509491130.db2.gz ZJVSPHFLWCBEOA-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(C3CCN(C)CC3)CC1)C2 ZINC000192441096 509518317 /nfs/dbraw/zinc/51/83/17/509518317.db2.gz VERRVEFPGCKFJP-LJQANCHMSA-N 1 3 357.542 2.701 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCCC[NH+]2CCCCC2)c1 ZINC000164629890 509521067 /nfs/dbraw/zinc/52/10/67/509521067.db2.gz BMKJOLRMJCSZBV-QGZVFWFLSA-N 1 3 367.559 2.902 20 0 FFADHO CC[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000236952970 509538764 /nfs/dbraw/zinc/53/87/64/509538764.db2.gz USQSCPBQEKHQAA-QNKZKCNHSA-N 1 3 355.526 2.860 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176493319 509541934 /nfs/dbraw/zinc/54/19/34/509541934.db2.gz JOJHMXHFXGIIPS-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000173346110 509544205 /nfs/dbraw/zinc/54/42/05/509544205.db2.gz FAROTLMPCSWLKA-IBGZPJMESA-N 1 3 360.546 2.831 20 0 FFADHO Cc1c[nH+]ccc1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000192547864 509551204 /nfs/dbraw/zinc/55/12/04/509551204.db2.gz JXDNXHQXJCFPOB-LJQANCHMSA-N 1 3 351.498 2.824 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000165311114 509566543 /nfs/dbraw/zinc/56/65/43/509566543.db2.gz GPIZIUZVCJCNBY-CVEARBPZSA-N 1 3 353.532 2.831 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000237103706 509571760 /nfs/dbraw/zinc/57/17/60/509571760.db2.gz AVNLXNXSNRAZTP-FQEVSTJZSA-N 1 3 355.482 2.723 20 0 FFADHO C[NH2+]C1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000237132891 509579959 /nfs/dbraw/zinc/57/99/59/509579959.db2.gz UUGKILNJBJJEQW-SFHVURJKSA-N 1 3 369.431 2.651 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000179708697 509584479 /nfs/dbraw/zinc/58/44/79/509584479.db2.gz QUSOVSXIHHOZOD-GOSISDBHSA-N 1 3 369.509 2.877 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000176585676 509597617 /nfs/dbraw/zinc/59/76/17/509597617.db2.gz ZCYMCKQEDCBEAK-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000173476249 509623706 /nfs/dbraw/zinc/62/37/06/509623706.db2.gz GDWHMUJACGKUPO-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000183153762 509629542 /nfs/dbraw/zinc/62/95/42/509629542.db2.gz WBTZYZNWNDQTIR-XSDIEEQYSA-N 1 3 370.541 2.681 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183153762 509629548 /nfs/dbraw/zinc/62/95/48/509629548.db2.gz WBTZYZNWNDQTIR-XSDIEEQYSA-N 1 3 370.541 2.681 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183153762 509629552 /nfs/dbraw/zinc/62/95/52/509629552.db2.gz WBTZYZNWNDQTIR-XSDIEEQYSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000192787519 509643021 /nfs/dbraw/zinc/64/30/21/509643021.db2.gz NMUZADGTQZCWDE-IBGZPJMESA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](CC(=O)N(C)C1CCN(CCc2ccccn2)CC1)C1CC[NH2+]CC1 ZINC000237517365 509667098 /nfs/dbraw/zinc/66/70/98/509667098.db2.gz KRRVCDWIIMWXKE-SFHVURJKSA-N 1 3 372.557 2.573 20 0 FFADHO C[C@@]1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237579200 509681159 /nfs/dbraw/zinc/68/11/59/509681159.db2.gz VHOAYHWILNZTJO-JOCHJYFZSA-N 1 3 373.541 2.564 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000249504278 509696370 /nfs/dbraw/zinc/69/63/70/509696370.db2.gz YAXIDDOJZANHGQ-HNAYVOBHSA-N 1 3 366.477 2.839 20 0 FFADHO CC[C@@H](CN[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)[NH+]1CCCC1 ZINC000183410563 509772188 /nfs/dbraw/zinc/77/21/88/509772188.db2.gz SRHXOOUKEMJZHO-QAPCUYQASA-N 1 3 361.486 2.654 20 0 FFADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)N1CCCCC1 ZINC000180158647 509784224 /nfs/dbraw/zinc/78/42/24/509784224.db2.gz QAWCDTOLDYRBDF-ZIBCJSCZSA-N 1 3 355.526 2.888 20 0 FFADHO CCc1ccc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000173955835 509873438 /nfs/dbraw/zinc/87/34/38/509873438.db2.gz LKNHNAHKRUBDCW-MRXNPFEDSA-N 1 3 366.575 2.868 20 0 FFADHO CCc1ccc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000173955835 509873446 /nfs/dbraw/zinc/87/34/46/509873446.db2.gz LKNHNAHKRUBDCW-MRXNPFEDSA-N 1 3 366.575 2.868 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000190015653 509887102 /nfs/dbraw/zinc/88/71/02/509887102.db2.gz UKCLPIKZUOAOPJ-KRWDZBQOSA-N 1 3 373.545 2.733 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H](N2CCCC2)C1 ZINC000171037155 509903187 /nfs/dbraw/zinc/90/31/87/509903187.db2.gz KRIQHKYSDPWYKJ-FQEVSTJZSA-N 1 3 356.514 2.662 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174106167 509950368 /nfs/dbraw/zinc/95/03/68/509950368.db2.gz LKXFIISBUKRSEX-TZIWHRDSSA-N 1 3 370.541 2.951 20 0 FFADHO C[NH2+][C@@H](C)Cc1noc([C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000261629150 510006564 /nfs/dbraw/zinc/00/65/64/510006564.db2.gz CJAUXZMRJBKDDJ-SUMWQHHRSA-N 1 3 368.403 2.926 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000177433875 510055883 /nfs/dbraw/zinc/05/58/83/510055883.db2.gz NOYCDEPPTPNBPG-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000177433875 510055891 /nfs/dbraw/zinc/05/58/91/510055891.db2.gz NOYCDEPPTPNBPG-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO CCSCC[C@@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174467884 510128407 /nfs/dbraw/zinc/12/84/07/510128407.db2.gz NWVJBEYBMUSOSL-MRXNPFEDSA-N 1 3 370.607 2.718 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)CN1CCN(C)CC1 ZINC000268933179 510144979 /nfs/dbraw/zinc/14/49/79/510144979.db2.gz TZQPYIYEJQHMOZ-KCZVDYSFSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CN1Cc1ccccc1 ZINC000187300264 510180342 /nfs/dbraw/zinc/18/03/42/510180342.db2.gz MDXSWUANEPLPLB-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000269028697 510200775 /nfs/dbraw/zinc/20/07/75/510200775.db2.gz RSDFZRMNWUSOJU-UNWVZKJWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000177723008 510217306 /nfs/dbraw/zinc/21/73/06/510217306.db2.gz OCEUMSDDLINNRJ-PXNSSMCTSA-N 1 3 370.541 2.823 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262301248 510236515 /nfs/dbraw/zinc/23/65/15/510236515.db2.gz AWJCZKBAAZPRRS-SIKLNZKXSA-N 1 3 355.526 2.855 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000174661590 510236723 /nfs/dbraw/zinc/23/67/23/510236723.db2.gz RETKDJGVWJLVNC-HOTGVXAUSA-N 1 3 367.563 2.570 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000174661590 510236730 /nfs/dbraw/zinc/23/67/30/510236730.db2.gz RETKDJGVWJLVNC-HOTGVXAUSA-N 1 3 367.563 2.570 20 0 FFADHO C[C@H](C[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262349109 510251995 /nfs/dbraw/zinc/25/19/95/510251995.db2.gz ITYYPECQGFKKPN-IVMMDQJWSA-N 1 3 357.420 2.799 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[N@H+](C)C1CC1 ZINC000174736127 510280847 /nfs/dbraw/zinc/28/08/47/510280847.db2.gz KCLULIZCJRPENW-VKJFTORMSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC000174736127 510280856 /nfs/dbraw/zinc/28/08/56/510280856.db2.gz KCLULIZCJRPENW-VKJFTORMSA-N 1 3 364.559 2.913 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000177843021 510283561 /nfs/dbraw/zinc/28/35/61/510283561.db2.gz RBBQAJRPIJSUPH-IRXDYDNUSA-N 1 3 364.559 2.868 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000177843021 510283575 /nfs/dbraw/zinc/28/35/75/510283575.db2.gz RBBQAJRPIJSUPH-IRXDYDNUSA-N 1 3 364.559 2.868 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269243120 510305274 /nfs/dbraw/zinc/30/52/74/510305274.db2.gz CBQCAIDPVHGSKD-ZMWHVPEISA-N 1 3 355.526 2.934 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246181314 510343945 /nfs/dbraw/zinc/34/39/45/510343945.db2.gz LVISOEPUCSTQMC-MHORFTMASA-N 1 3 352.567 2.867 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246181314 510343950 /nfs/dbraw/zinc/34/39/50/510343950.db2.gz LVISOEPUCSTQMC-MHORFTMASA-N 1 3 352.567 2.867 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000194438519 510364048 /nfs/dbraw/zinc/36/40/48/510364048.db2.gz BFFWKZZEOKQJHO-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246242672 510384565 /nfs/dbraw/zinc/38/45/65/510384565.db2.gz DJAFPKQWEIMTMF-NLWGTHIKSA-N 1 3 362.562 2.909 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246242672 510384571 /nfs/dbraw/zinc/38/45/71/510384571.db2.gz DJAFPKQWEIMTMF-NLWGTHIKSA-N 1 3 362.562 2.909 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](N)Cc2ccccc2)[C@H]1c1cccs1 ZINC000246297119 510413226 /nfs/dbraw/zinc/41/32/26/510413226.db2.gz NTCVYFOSUFHEGH-LMMKCTJWSA-N 1 3 357.523 2.817 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H](N)Cc2ccccc2)[C@H]1c1cccs1 ZINC000246297119 510413235 /nfs/dbraw/zinc/41/32/35/510413235.db2.gz NTCVYFOSUFHEGH-LMMKCTJWSA-N 1 3 357.523 2.817 20 0 FFADHO CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246319965 510423977 /nfs/dbraw/zinc/42/39/77/510423977.db2.gz NYQXCELRTBGADM-NVXWUHKLSA-N 1 3 352.548 2.772 20 0 FFADHO CC1(C(=O)N2CC[C@H](N3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184741424 510493360 /nfs/dbraw/zinc/49/33/60/510493360.db2.gz WIHCHPMQBUKDKR-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000246475230 510510612 /nfs/dbraw/zinc/51/06/12/510510612.db2.gz VOWHYIWQDLHGMM-WOJBJXKFSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000246475230 510510620 /nfs/dbraw/zinc/51/06/20/510510620.db2.gz VOWHYIWQDLHGMM-WOJBJXKFSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000187973697 510528080 /nfs/dbraw/zinc/52/80/80/510528080.db2.gz JBLMWLSYYHAJTF-DLBZAZTESA-N 1 3 350.551 2.813 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+](CC)CC)c2)C1(C)C ZINC000188065769 510574868 /nfs/dbraw/zinc/57/48/68/510574868.db2.gz KSYOLKLUTREPMO-RXVVDRJESA-N 1 3 361.530 2.677 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000246611828 510581689 /nfs/dbraw/zinc/58/16/89/510581689.db2.gz BPSMNGIWNHYAMA-QWFCFKBJSA-N 1 3 372.557 2.927 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000178404204 510586427 /nfs/dbraw/zinc/58/64/27/510586427.db2.gz IFXGPSNOXOIQEC-WOJBJXKFSA-N 1 3 374.529 2.638 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000246910956 510741340 /nfs/dbraw/zinc/74/13/40/510741340.db2.gz FZYANCXEPJLWON-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)(C)[C@H](N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000178848449 510802187 /nfs/dbraw/zinc/80/21/87/510802187.db2.gz LSCWPUJIRVNMJR-LJQANCHMSA-N 1 3 361.530 2.547 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000247146613 510845324 /nfs/dbraw/zinc/84/53/24/510845324.db2.gz SPOBROUDECTLSG-IAGOWNOFSA-N 1 3 367.559 2.900 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000247146613 510845326 /nfs/dbraw/zinc/84/53/26/510845326.db2.gz SPOBROUDECTLSG-IAGOWNOFSA-N 1 3 367.559 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[C@H](C)N1 ZINC000247307037 510856395 /nfs/dbraw/zinc/85/63/95/510856395.db2.gz QCNZMPGJLQKKMH-RVKKMQEKSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000247307037 510856396 /nfs/dbraw/zinc/85/63/96/510856396.db2.gz QCNZMPGJLQKKMH-RVKKMQEKSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000247307037 510856397 /nfs/dbraw/zinc/85/63/97/510856397.db2.gz QCNZMPGJLQKKMH-RVKKMQEKSA-N 1 3 369.431 2.650 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000247379479 510859117 /nfs/dbraw/zinc/85/91/17/510859117.db2.gz UCBOTFJYONAWLU-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000247379479 510859118 /nfs/dbraw/zinc/85/91/18/510859118.db2.gz UCBOTFJYONAWLU-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000247508308 510863715 /nfs/dbraw/zinc/86/37/15/510863715.db2.gz VMCZOQMNEUTMDM-WIYYLYMNSA-N 1 3 372.557 2.629 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000247508308 510863716 /nfs/dbraw/zinc/86/37/16/510863716.db2.gz VMCZOQMNEUTMDM-WIYYLYMNSA-N 1 3 372.557 2.629 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285437787 510906744 /nfs/dbraw/zinc/90/67/44/510906744.db2.gz IBKHPQUZKXAEFU-ROUUACIJSA-N 1 3 365.468 2.554 20 0 FFADHO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294154544 510974186 /nfs/dbraw/zinc/97/41/86/510974186.db2.gz HSLNXANUEPZREN-GOSISDBHSA-N 1 3 350.466 2.725 20 0 FFADHO CO[C@@H]1CCCN(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000360996796 510977308 /nfs/dbraw/zinc/97/73/08/510977308.db2.gz DWNRRNNRBRHQSA-OAQYLSRUSA-N 1 3 373.541 2.530 20 0 FFADHO CO[C@@H]1CCCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000360996796 510977311 /nfs/dbraw/zinc/97/73/11/510977311.db2.gz DWNRRNNRBRHQSA-OAQYLSRUSA-N 1 3 373.541 2.530 20 0 FFADHO CO[C@@H]1CCC[N@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000360996796 510977313 /nfs/dbraw/zinc/97/73/13/510977313.db2.gz DWNRRNNRBRHQSA-OAQYLSRUSA-N 1 3 373.541 2.530 20 0 FFADHO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000360996796 510977316 /nfs/dbraw/zinc/97/73/16/510977316.db2.gz DWNRRNNRBRHQSA-OAQYLSRUSA-N 1 3 373.541 2.530 20 0 FFADHO COCCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282473222 510991988 /nfs/dbraw/zinc/99/19/88/510991988.db2.gz WKIQRTJJGHEDDR-LJQANCHMSA-N 1 3 351.510 2.909 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000279523933 511114665 /nfs/dbraw/zinc/11/46/65/511114665.db2.gz TUFAWHCTEIZHEW-QRFRQXIXSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000279523933 511114671 /nfs/dbraw/zinc/11/46/71/511114671.db2.gz TUFAWHCTEIZHEW-QRFRQXIXSA-N 1 3 359.514 2.679 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000279536747 511119413 /nfs/dbraw/zinc/11/94/13/511119413.db2.gz AGDGRQXREVELHF-GOSISDBHSA-N 1 3 355.530 2.544 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000364980238 511188791 /nfs/dbraw/zinc/18/87/91/511188791.db2.gz ZMBHPTBLRUOUCF-VBQJREDUSA-N 1 3 371.403 2.635 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000333782498 511354447 /nfs/dbraw/zinc/35/44/47/511354447.db2.gz DXPGVDNOUBZKGS-ONTIZHBOSA-N 1 3 370.541 2.812 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000283468510 511378208 /nfs/dbraw/zinc/37/82/08/511378208.db2.gz ZIEJTDAGXXVLPE-QFIPXVFZSA-N 1 3 359.558 2.774 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000283468510 511378212 /nfs/dbraw/zinc/37/82/12/511378212.db2.gz ZIEJTDAGXXVLPE-QFIPXVFZSA-N 1 3 359.558 2.774 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C(C)(C)n1cncn1 ZINC000283978175 511563934 /nfs/dbraw/zinc/56/39/34/511563934.db2.gz JCKFDGKVNCUTCJ-INIZCTEOSA-N 1 3 357.502 2.665 20 0 FFADHO C[C@H]1CN(CCC2CC[NH+](Cc3c[nH]c4nccnc34)CC2)C[C@H](C)O1 ZINC000365671131 511592923 /nfs/dbraw/zinc/59/29/23/511592923.db2.gz YQYNUIKMMOFPHX-HOTGVXAUSA-N 1 3 357.502 2.621 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C34CCCN3CCC4)cc2F)CC1 ZINC000280804389 511609476 /nfs/dbraw/zinc/60/94/76/511609476.db2.gz PWKJFNSFINODQU-UHFFFAOYSA-N 1 3 374.504 2.923 20 0 FFADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000302996272 511722940 /nfs/dbraw/zinc/72/29/40/511722940.db2.gz SXRSADUHCSCTLT-HXUWFJFHSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000303079344 511727578 /nfs/dbraw/zinc/72/75/78/511727578.db2.gz TXHVEICMNBVNCF-GBESFXJTSA-N 1 3 352.567 2.774 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000303249967 511730295 /nfs/dbraw/zinc/73/02/95/511730295.db2.gz MUPHPFNBTQYBJX-YLJYHZDGSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000303249967 511730305 /nfs/dbraw/zinc/73/03/05/511730305.db2.gz MUPHPFNBTQYBJX-YLJYHZDGSA-N 1 3 358.530 2.914 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COCc1ccccc1F ZINC000312506687 511784905 /nfs/dbraw/zinc/78/49/05/511784905.db2.gz RJEGAGYLIJVZEL-CTNGQTDRSA-N 1 3 372.484 2.815 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1F ZINC000312506687 511784910 /nfs/dbraw/zinc/78/49/10/511784910.db2.gz RJEGAGYLIJVZEL-CTNGQTDRSA-N 1 3 372.484 2.815 20 0 FFADHO C[C@H](NC(=O)[C@H]1CNCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312732982 511785679 /nfs/dbraw/zinc/78/56/79/511785679.db2.gz SUYOQVSTAAQRFN-WEYGHZABSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@H](NC(=O)[C@H]1CNCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312732982 511785682 /nfs/dbraw/zinc/78/56/82/511785682.db2.gz SUYOQVSTAAQRFN-WEYGHZABSA-N 1 3 363.505 2.900 20 0 FFADHO CC(C)O[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000293025609 511811841 /nfs/dbraw/zinc/81/18/41/511811841.db2.gz CSJLAELICOAVER-HXUWFJFHSA-N 1 3 361.530 2.543 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274405686 511823601 /nfs/dbraw/zinc/82/36/01/511823601.db2.gz UDKAXXCVCMKKBG-DLBZAZTESA-N 1 3 357.498 2.771 20 0 FFADHO Cc1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)c(OCCN(C)C)c1 ZINC000281535984 511882962 /nfs/dbraw/zinc/88/29/62/511882962.db2.gz ZBEGGXFQHJYXTN-UHFFFAOYSA-N 1 3 362.518 2.885 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274747246 511929145 /nfs/dbraw/zinc/92/91/45/511929145.db2.gz GRQIXZGTFFFMSW-URVUXULASA-N 1 3 358.574 2.513 20 0 FFADHO O=C1CC[C@H](CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCN1 ZINC000296903393 511943906 /nfs/dbraw/zinc/94/39/06/511943906.db2.gz ZGKQFXWSUMNPHX-ACRUOGEOSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CC[C@H](CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCN1 ZINC000296903393 511943909 /nfs/dbraw/zinc/94/39/09/511943909.db2.gz ZGKQFXWSUMNPHX-ACRUOGEOSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296926802 511953565 /nfs/dbraw/zinc/95/35/65/511953565.db2.gz GBYOUEMLFPHYFY-LBFURVHYSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296926802 511953572 /nfs/dbraw/zinc/95/35/72/511953572.db2.gz GBYOUEMLFPHYFY-LBFURVHYSA-N 1 3 370.541 2.918 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)CC1 ZINC000293818749 512091775 /nfs/dbraw/zinc/09/17/75/512091775.db2.gz RYYJUPMPBUYWBB-GOSISDBHSA-N 1 3 374.529 2.712 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000369508338 512444889 /nfs/dbraw/zinc/44/48/89/512444889.db2.gz YZZUOOHVVHQVLR-LJQANCHMSA-N 1 3 365.562 2.650 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000369508338 512444893 /nfs/dbraw/zinc/44/48/93/512444893.db2.gz YZZUOOHVVHQVLR-LJQANCHMSA-N 1 3 365.562 2.650 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000369515639 512448917 /nfs/dbraw/zinc/44/89/17/512448917.db2.gz AIKMFLVWLODPNW-NCYKPQTJSA-N 1 3 351.579 2.664 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000369515639 512448921 /nfs/dbraw/zinc/44/89/21/512448921.db2.gz AIKMFLVWLODPNW-NCYKPQTJSA-N 1 3 351.579 2.664 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373921999 512572503 /nfs/dbraw/zinc/57/25/03/512572503.db2.gz JVIKKIZDGGIJNP-QZTJIDSGSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373921999 512572505 /nfs/dbraw/zinc/57/25/05/512572505.db2.gz JVIKKIZDGGIJNP-QZTJIDSGSA-N 1 3 362.493 2.526 20 0 FFADHO NC1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)Cc2ccccc2C1 ZINC000378200473 512636281 /nfs/dbraw/zinc/63/62/81/512636281.db2.gz DLCBVQGVIACRHU-MRXNPFEDSA-N 1 3 369.534 2.573 20 0 FFADHO NC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)Cc2ccccc2C1 ZINC000378200473 512636284 /nfs/dbraw/zinc/63/62/84/512636284.db2.gz DLCBVQGVIACRHU-MRXNPFEDSA-N 1 3 369.534 2.573 20 0 FFADHO CN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000374113563 512665073 /nfs/dbraw/zinc/66/50/73/512665073.db2.gz YQDUAEVALKLTNF-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000374113563 512665076 /nfs/dbraw/zinc/66/50/76/512665076.db2.gz YQDUAEVALKLTNF-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)CC1 ZINC000411724392 512780771 /nfs/dbraw/zinc/78/07/71/512780771.db2.gz DFEMWSTWCASCFY-CEWLAPEOSA-N 1 3 373.541 2.528 20 0 FFADHO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000378567567 512827898 /nfs/dbraw/zinc/82/78/98/512827898.db2.gz NHPIHEVOXHFESP-QGZVFWFLSA-N 1 3 362.562 2.981 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(F)cc1 ZINC000388345629 512894873 /nfs/dbraw/zinc/89/48/73/512894873.db2.gz ZLJMFFBOUYLOHQ-ICSRJNTNSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(F)cc1 ZINC000388345629 512894876 /nfs/dbraw/zinc/89/48/76/512894876.db2.gz ZLJMFFBOUYLOHQ-ICSRJNTNSA-N 1 3 358.457 2.677 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000389145094 512899517 /nfs/dbraw/zinc/89/95/17/512899517.db2.gz WBZZBVNPHKAAHT-FQEVSTJZSA-N 1 3 351.494 2.795 20 0 FFADHO [NH3+][C@H]1C[C@@H](NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000390893780 512912311 /nfs/dbraw/zinc/91/23/11/512912311.db2.gz BQCFAYAWPXNBIN-FCHUYYIVSA-N 1 3 350.510 2.539 20 0 FFADHO COc1ccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000397608604 512947227 /nfs/dbraw/zinc/94/72/27/512947227.db2.gz YKNWQTXDBIIQAY-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC)c(OC)c1 ZINC000370636637 513026346 /nfs/dbraw/zinc/02/63/46/513026346.db2.gz RZTCKAKCJJTPGT-MJGOQNOKSA-N 1 3 361.530 2.913 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000377034907 513095888 /nfs/dbraw/zinc/09/58/88/513095888.db2.gz QGCSTDVSIYAGEE-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000377034907 513095891 /nfs/dbraw/zinc/09/58/91/513095891.db2.gz QGCSTDVSIYAGEE-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000368797885 513107269 /nfs/dbraw/zinc/10/72/69/513107269.db2.gz NOESWEJVKZWIFG-WOJBJXKFSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000368797885 513107272 /nfs/dbraw/zinc/10/72/72/513107272.db2.gz NOESWEJVKZWIFG-WOJBJXKFSA-N 1 3 370.541 2.682 20 0 FFADHO COc1ccccc1CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368834478 513117862 /nfs/dbraw/zinc/11/78/62/513117862.db2.gz OMCJZGSANNYHSQ-UHFFFAOYSA-N 1 3 359.558 2.977 20 0 FFADHO C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000445874431 513134739 /nfs/dbraw/zinc/13/47/39/513134739.db2.gz JSHWVLCDRLSWKQ-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000417670547 513151049 /nfs/dbraw/zinc/15/10/49/513151049.db2.gz OTMZEDRBYIPUPK-BJLQDIEVSA-N 1 3 358.530 2.715 20 0 FFADHO Cc1ccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)c(OCCN(C)C)c1 ZINC000415211592 513154568 /nfs/dbraw/zinc/15/45/68/513154568.db2.gz YLKXCQDNLHLTEP-UHFFFAOYSA-N 1 3 360.502 2.543 20 0 FFADHO CN(C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000417676729 513155173 /nfs/dbraw/zinc/15/51/73/513155173.db2.gz DSAVKGZZXYEOCA-HXUWFJFHSA-N 1 3 372.557 2.853 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415228941 513160559 /nfs/dbraw/zinc/16/05/59/513160559.db2.gz NLPGATNWICGIPW-KRWDZBQOSA-N 1 3 374.529 2.759 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H](C)CN1 ZINC000417738255 513188301 /nfs/dbraw/zinc/18/83/01/513188301.db2.gz OQBWKWRGTYGJFW-PNBKFKSVSA-N 1 3 350.532 2.523 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H](C)CN1 ZINC000417738255 513188305 /nfs/dbraw/zinc/18/83/05/513188305.db2.gz OQBWKWRGTYGJFW-PNBKFKSVSA-N 1 3 350.532 2.523 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000446227705 513213050 /nfs/dbraw/zinc/21/30/50/513213050.db2.gz PXHBGZNITXAYJU-SFHVURJKSA-N 1 3 374.529 2.967 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417834327 513227475 /nfs/dbraw/zinc/22/74/75/513227475.db2.gz UWOPPJLKPUCBBM-HNBVOPMISA-N 1 3 358.530 2.666 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000417837164 513229518 /nfs/dbraw/zinc/22/95/18/513229518.db2.gz XMBXSOPPRAHWQP-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000417847451 513235017 /nfs/dbraw/zinc/23/50/17/513235017.db2.gz URDVHMICHHQBEX-NBYUQASBSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000417849457 513236096 /nfs/dbraw/zinc/23/60/96/513236096.db2.gz WNSDKDAULCGOTL-AZUAARDMSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CN1Cc1ccccc1 ZINC000417884623 513254482 /nfs/dbraw/zinc/25/44/82/513254482.db2.gz XNYRPBBALSVTRU-JRGCBEDISA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)[C@H](C)c3ccccc3)CC2)CC1 ZINC000450634576 513283325 /nfs/dbraw/zinc/28/33/25/513283325.db2.gz GVYGOCZVTUPSDL-DENIHFKCSA-N 1 3 359.558 2.641 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000418005180 513330684 /nfs/dbraw/zinc/33/06/84/513330684.db2.gz DCSBPOLTORLWDP-FXAWDEMLSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418026699 513340492 /nfs/dbraw/zinc/34/04/92/513340492.db2.gz FTUJMUFEDSKOSF-PMACEKPBSA-N 1 3 360.546 2.913 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418028922 513342371 /nfs/dbraw/zinc/34/23/71/513342371.db2.gz HZZMZCVUTUPHBC-CTNGQTDRSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418030762 513343236 /nfs/dbraw/zinc/34/32/36/513343236.db2.gz KACQGMCDZKHTRQ-HOJAQTOUSA-N 1 3 360.546 2.830 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418034296 513345389 /nfs/dbraw/zinc/34/53/89/513345389.db2.gz OFSKONAPJGMNQX-NCYKPQTJSA-N 1 3 372.557 2.830 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000418038613 513346633 /nfs/dbraw/zinc/34/66/33/513346633.db2.gz SLLZDVATIPENEO-VQTJNVASSA-N 1 3 360.546 2.784 20 0 FFADHO C[C@]1(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCCN1Cc1ccccc1 ZINC000418041630 513349680 /nfs/dbraw/zinc/34/96/80/513349680.db2.gz KVIVLSHXDSEJGY-YADHBBJMSA-N 1 3 370.541 2.826 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000418098466 513371788 /nfs/dbraw/zinc/37/17/88/513371788.db2.gz LTIOIOSFGHXUQI-IAGOWNOFSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418151952 513393382 /nfs/dbraw/zinc/39/33/82/513393382.db2.gz GHXUGCZHKAEEIY-QXAKKESOSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C[C@@H]1C[NH3+] ZINC000418157370 513395964 /nfs/dbraw/zinc/39/59/64/513395964.db2.gz OEPUGTFRUQAGOX-YZGWKJHDSA-N 1 3 372.557 2.913 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418159920 513397918 /nfs/dbraw/zinc/39/79/18/513397918.db2.gz RPVCMINRSRQHSL-GOSISDBHSA-N 1 3 360.546 2.913 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000440771446 513401751 /nfs/dbraw/zinc/40/17/51/513401751.db2.gz NSBHJMSEBJFWLQ-LSTHTHJFSA-N 1 3 370.541 2.748 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000440771446 513401755 /nfs/dbraw/zinc/40/17/55/513401755.db2.gz NSBHJMSEBJFWLQ-LSTHTHJFSA-N 1 3 370.541 2.748 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000440771448 513402319 /nfs/dbraw/zinc/40/23/19/513402319.db2.gz NSBHJMSEBJFWLQ-PWIZWCRZSA-N 1 3 370.541 2.748 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000440771448 513402326 /nfs/dbraw/zinc/40/23/26/513402326.db2.gz NSBHJMSEBJFWLQ-PWIZWCRZSA-N 1 3 370.541 2.748 20 0 FFADHO C[C@H](NC(=O)N(CC[NH3+])Cc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000418189297 513413190 /nfs/dbraw/zinc/41/31/90/513413190.db2.gz VIUHWMLBDLYHNY-FXAWDEMLSA-N 1 3 354.498 2.848 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000418194927 513416312 /nfs/dbraw/zinc/41/63/12/513416312.db2.gz PEUGUADAWQETPR-NJYVYQBISA-N 1 3 372.557 2.739 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])N(C)C)cc1 ZINC000418227230 513430881 /nfs/dbraw/zinc/43/08/81/513430881.db2.gz CAJYGVJTXRVVBD-HFTRVMKXSA-N 1 3 364.559 2.780 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)CCC1 ZINC000418239631 513436367 /nfs/dbraw/zinc/43/63/67/513436367.db2.gz HRRFZCMBPXUMLC-UHFFFAOYSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@H](NC(=O)NCC1(N(C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000418239353 513437136 /nfs/dbraw/zinc/43/71/36/513437136.db2.gz HDLXYNJUQSBSBX-HKUYNNGSSA-N 1 3 358.530 2.728 20 0 FFADHO COc1ccc([C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C(C)C)c(F)c1 ZINC000421823474 513445381 /nfs/dbraw/zinc/44/53/81/513445381.db2.gz DBVBVYLKANFCNZ-DNVCBOLYSA-N 1 3 365.493 2.708 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418297814 513454750 /nfs/dbraw/zinc/45/47/50/513454750.db2.gz ORHFJDXKXSHMLW-UHFFFAOYSA-N 1 3 350.482 2.561 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418341845 513472540 /nfs/dbraw/zinc/47/25/40/513472540.db2.gz MNKSTCGLKIUKSF-SJORKVTESA-N 1 3 352.567 2.917 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418380327 513489506 /nfs/dbraw/zinc/48/95/06/513489506.db2.gz WVPUJJQXDBFLGS-INIZCTEOSA-N 1 3 372.435 2.531 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000415949972 513495141 /nfs/dbraw/zinc/49/51/41/513495141.db2.gz CPIPULBLLNFLHV-BEFAXECRSA-N 1 3 372.488 2.952 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000415949972 513495144 /nfs/dbraw/zinc/49/51/44/513495144.db2.gz CPIPULBLLNFLHV-BEFAXECRSA-N 1 3 372.488 2.952 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)C1 ZINC000415960786 513501173 /nfs/dbraw/zinc/50/11/73/513501173.db2.gz CFVLSYOVQMZATQ-INIZCTEOSA-N 1 3 356.392 2.724 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)C1 ZINC000415960786 513501177 /nfs/dbraw/zinc/50/11/77/513501177.db2.gz CFVLSYOVQMZATQ-INIZCTEOSA-N 1 3 356.392 2.724 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418420904 513502460 /nfs/dbraw/zinc/50/24/60/513502460.db2.gz BPBFJJACESNEOQ-IBGZPJMESA-N 1 3 354.498 2.896 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418420904 513502467 /nfs/dbraw/zinc/50/24/67/513502467.db2.gz BPBFJJACESNEOQ-IBGZPJMESA-N 1 3 354.498 2.896 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418427677 513505362 /nfs/dbraw/zinc/50/53/62/513505362.db2.gz LJHFTMBOGXAROU-NQIIRXRSSA-N 1 3 366.509 2.992 20 0 FFADHO CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345805 513546849 /nfs/dbraw/zinc/54/68/49/513546849.db2.gz IAESMVVSPBRQOO-HXUWFJFHSA-N 1 3 357.542 2.991 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418548782 513553156 /nfs/dbraw/zinc/55/31/56/513553156.db2.gz LDDMVVFRENDPMJ-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441370654 513554177 /nfs/dbraw/zinc/55/41/77/513554177.db2.gz YIBPYNCUJSGGLV-UHFFFAOYSA-N 1 3 369.557 2.664 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418558292 513556652 /nfs/dbraw/zinc/55/66/52/513556652.db2.gz XHJHMDSIJCPBFD-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CN1C1CC1 ZINC000441379047 513556771 /nfs/dbraw/zinc/55/67/71/513556771.db2.gz DEVVKOAKMQYVPN-HKUYNNGSSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CN1C1CC1 ZINC000441379047 513556776 /nfs/dbraw/zinc/55/67/76/513556776.db2.gz DEVVKOAKMQYVPN-HKUYNNGSSA-N 1 3 362.562 2.909 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416052502 513557619 /nfs/dbraw/zinc/55/76/19/513557619.db2.gz UTWZQWNYXNIJFT-CQSZACIVSA-N 1 3 352.445 2.564 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccccc2OCc2ccncc2)CC1(C)C ZINC000441386225 513559644 /nfs/dbraw/zinc/55/96/44/513559644.db2.gz UGHSAGMWALHWJX-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418599874 513573305 /nfs/dbraw/zinc/57/33/05/513573305.db2.gz IUEJBAXGGIMABK-UHFFFAOYSA-N 1 3 350.551 2.838 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000418609184 513575604 /nfs/dbraw/zinc/57/56/04/513575604.db2.gz BTEWPUBBVUSKMC-IRXDYDNUSA-N 1 3 352.910 2.759 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000418612172 513578404 /nfs/dbraw/zinc/57/84/04/513578404.db2.gz VMUCBYMVQJARRC-KAGYGMCKSA-N 1 3 370.541 2.825 20 0 FFADHO COc1cc2nccc(NCC3(SC)CC[NH+](C)CC3)c2cc1OC ZINC000413313563 513586975 /nfs/dbraw/zinc/58/69/75/513586975.db2.gz RYFVGTXKRMCMHX-UHFFFAOYSA-N 1 3 361.511 2.913 20 0 FFADHO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418650376 513592596 /nfs/dbraw/zinc/59/25/96/513592596.db2.gz XKNZJHVVXKPHOG-FQEVSTJZSA-N 1 3 356.514 2.602 20 0 FFADHO CN(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418662961 513600450 /nfs/dbraw/zinc/60/04/50/513600450.db2.gz VTPLTAQMEKQDCU-QHAWAJNXSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418703125 513617452 /nfs/dbraw/zinc/61/74/52/513617452.db2.gz QSNRKRXUQDEQRN-HNNXBMFYSA-N 1 3 354.926 2.931 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422247376 513657151 /nfs/dbraw/zinc/65/71/51/513657151.db2.gz WLOZRMXATTVTDB-UHFFFAOYSA-N 1 3 364.509 2.772 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@@H]2C1 ZINC000425647221 513677877 /nfs/dbraw/zinc/67/78/77/513677877.db2.gz DLKYUCKEJPCXDO-VQTJNVASSA-N 1 3 370.541 2.559 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CCC(C[NH3+])CC3)ccc2c1 ZINC000430604190 513702865 /nfs/dbraw/zinc/70/28/65/513702865.db2.gz PMKMSYDAMKLQOJ-MRXNPFEDSA-N 1 3 369.509 2.866 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000430677608 513719409 /nfs/dbraw/zinc/71/94/09/513719409.db2.gz GPYDEWLRLAQLCT-IERDGZPVSA-N 1 3 367.493 2.918 20 0 FFADHO COc1cc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000416342902 513722596 /nfs/dbraw/zinc/72/25/96/513722596.db2.gz QNFLKASITJUJOA-JYJNAYRXSA-N 1 3 363.502 2.835 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000442618025 513747040 /nfs/dbraw/zinc/74/70/40/513747040.db2.gz FZQJOMOSCCZBJY-SFHVURJKSA-N 1 3 350.551 2.626 20 0 FFADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000430945476 513788492 /nfs/dbraw/zinc/78/84/92/513788492.db2.gz QWBSSKNMYLDBGC-GJZGRUSLSA-N 1 3 367.921 2.625 20 0 FFADHO c1cn(Cc2ccccc2)c(CCNCc2cc(C3CC[NH2+]CC3)no2)n1 ZINC000425894485 513789652 /nfs/dbraw/zinc/78/96/52/513789652.db2.gz GGWHYHOBPPEUCS-UHFFFAOYSA-N 1 3 365.481 2.719 20 0 FFADHO C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CN(C)C ZINC000425918146 513797032 /nfs/dbraw/zinc/79/70/32/513797032.db2.gz DIUYRCKZBUZIOC-IAGOWNOFSA-N 1 3 367.559 2.710 20 0 FFADHO CN1CCN(CC[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1(C)C ZINC000442880940 513802268 /nfs/dbraw/zinc/80/22/68/513802268.db2.gz ZYJHIEKEELITKM-VQTJNVASSA-N 1 3 359.558 2.986 20 0 FFADHO c1ccc(CN2CCOCC2)c(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000436468705 513861450 /nfs/dbraw/zinc/86/14/50/513861450.db2.gz AYKZFKNFGDRWAB-UHFFFAOYSA-N 1 3 366.509 2.672 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422625186 513879536 /nfs/dbraw/zinc/87/95/36/513879536.db2.gz AVLHCWVDVKLTJM-MJBXVCDLSA-N 1 3 353.894 2.982 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000422696212 513905163 /nfs/dbraw/zinc/90/51/63/513905163.db2.gz QZRHNXMFYTWLJM-IBGZPJMESA-N 1 3 367.541 2.743 20 0 FFADHO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCOCC2)cc1 ZINC000422707894 513908737 /nfs/dbraw/zinc/90/87/37/513908737.db2.gz IJEKVZWHGXAKRK-VGOFRKELSA-N 1 3 368.525 2.881 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000422715814 513909493 /nfs/dbraw/zinc/90/94/93/513909493.db2.gz MSYDOSHNJZXPSP-VFNWGFHPSA-N 1 3 372.488 2.712 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422717952 513912088 /nfs/dbraw/zinc/91/20/88/513912088.db2.gz WMRKUCXWOMJZOA-XLIONFOSSA-N 1 3 373.541 2.787 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cc(C(CC)CC)no2)CC[NH2+]CC1 ZINC000422791407 513933753 /nfs/dbraw/zinc/93/37/53/513933753.db2.gz VELBYDIDESTLSX-CQSZACIVSA-N 1 3 351.491 2.989 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422800347 513935594 /nfs/dbraw/zinc/93/55/94/513935594.db2.gz ZTPLFFUMTKEHGQ-VYDXJSESSA-N 1 3 360.420 2.843 20 0 FFADHO c1ccc2c(c1)CCN(CCN[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422799872 513936106 /nfs/dbraw/zinc/93/61/06/513936106.db2.gz ADRFNMHQZNRBTA-JTHBVZDNSA-N 1 3 363.505 2.890 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)CC[NH2+]CC1 ZINC000422803848 513937720 /nfs/dbraw/zinc/93/77/20/513937720.db2.gz JSQPCVMVUJGCPG-HUUCEWRRSA-N 1 3 361.486 2.617 20 0 FFADHO COc1cc(C[C@H](CO)CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc(OC)c1 ZINC000422825254 513943459 /nfs/dbraw/zinc/94/34/59/513943459.db2.gz PPGPGXXATCFEPR-WDSOQIARSA-N 1 3 364.530 2.755 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000422825624 513943830 /nfs/dbraw/zinc/94/38/30/513943830.db2.gz JVVKUXGVNIBMTQ-ZYSHUDEJSA-N 1 3 350.466 2.867 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H](Cc3ccccc3)[C@@H](C)N)CC2)nc(C)n1 ZINC000422842056 513949503 /nfs/dbraw/zinc/94/95/03/513949503.db2.gz XKTNONWFDZJFFG-UZLBHIALSA-N 1 3 353.514 2.610 20 0 FFADHO Cc1cc(N2CCC(N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])CC2)nc(C)n1 ZINC000422842056 513949507 /nfs/dbraw/zinc/94/95/07/513949507.db2.gz XKTNONWFDZJFFG-UZLBHIALSA-N 1 3 353.514 2.610 20 0 FFADHO Cc1cccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCOCC2)c1 ZINC000422870893 513958464 /nfs/dbraw/zinc/95/84/64/513958464.db2.gz ZLHNTZQXLNOQHY-PTUXOGIPSA-N 1 3 367.537 2.916 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422876904 513959414 /nfs/dbraw/zinc/95/94/14/513959414.db2.gz GRJFYKKRYZYETP-CJNGLKHVSA-N 1 3 368.319 2.547 20 0 FFADHO COC1CCN(C2(C[NH2+][C@H](Cc3ccccc3)[C@H](C)N)CCCC2)CC1 ZINC000422884728 513962451 /nfs/dbraw/zinc/96/24/51/513962451.db2.gz FMROJOLJUMZWCL-GHTZIAJQSA-N 1 3 359.558 2.958 20 0 FFADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422923583 513976487 /nfs/dbraw/zinc/97/64/87/513976487.db2.gz WRBGOZNMJZEOHS-VAMGGRTRSA-N 1 3 360.498 2.681 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000422924023 513976696 /nfs/dbraw/zinc/97/66/96/513976696.db2.gz XLZDUUGZTHNUDY-DZLUEKEQSA-N 1 3 364.493 2.656 20 0 FFADHO CCOC(=O)COc1ccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422923292 513977044 /nfs/dbraw/zinc/97/70/44/513977044.db2.gz VUFFRCUVQQEKLS-UXHICEINSA-N 1 3 354.450 2.905 20 0 FFADHO CCOC(=O)COc1ccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422923294 513977355 /nfs/dbraw/zinc/97/73/55/513977355.db2.gz VUFFRCUVQQEKLS-WOJBJXKFSA-N 1 3 354.450 2.905 20 0 FFADHO CC(C)c1noc(CCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422931234 513979363 /nfs/dbraw/zinc/97/93/63/513979363.db2.gz BDYGJWDCNWVLMH-UZLBHIALSA-N 1 3 356.470 2.971 20 0 FFADHO FC(F)(F)Oc1ccccc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422930377 513979385 /nfs/dbraw/zinc/97/93/85/513979385.db2.gz TYEGXHSAJBEKRW-ARFHVFGLSA-N 1 3 358.404 2.874 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2COc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000422930386 513979883 /nfs/dbraw/zinc/97/98/83/513979883.db2.gz TZPWWIBINXFFNX-WFASDCNBSA-N 1 3 352.862 2.685 20 0 FFADHO Fc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000422937824 513983259 /nfs/dbraw/zinc/98/32/59/513983259.db2.gz OYVBFLGLWYJQDI-XOKHGSTOSA-N 1 3 371.294 2.877 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCCC[NH2+]C2CC2)c2cccs2)CC1 ZINC000416828266 513987095 /nfs/dbraw/zinc/98/70/95/513987095.db2.gz DNDXVOSWUODPAL-KRWDZBQOSA-N 1 3 364.559 2.962 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000416831094 513989520 /nfs/dbraw/zinc/98/95/20/513989520.db2.gz HGSVLEBEXFSFBN-IRXDYDNUSA-N 1 3 364.559 2.820 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c2cccs2)CC1 ZINC000416832752 513989941 /nfs/dbraw/zinc/98/99/41/513989941.db2.gz IVLDJHANEFLYPI-IXDOHACOSA-N 1 3 362.543 2.524 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCC2([NH3+])CCCCC2)N2CCCC2)cc1 ZINC000416833953 513990600 /nfs/dbraw/zinc/99/06/00/513990600.db2.gz XOTAHRJNCPGESC-IBGZPJMESA-N 1 3 374.529 2.793 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000416837661 513994167 /nfs/dbraw/zinc/99/41/67/513994167.db2.gz IGOFERFJIZEZDD-CVEARBPZSA-N 1 3 350.532 2.702 20 0 FFADHO Brc1cccc(NCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422963105 513994459 /nfs/dbraw/zinc/99/44/59/513994459.db2.gz HMVFJVATLODNAN-GVDBMIGSSA-N 1 3 368.319 2.608 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000431769615 513994837 /nfs/dbraw/zinc/99/48/37/513994837.db2.gz PFRFSBCCJFAADY-UHFFFAOYSA-N 1 3 355.526 2.912 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000431769615 513994843 /nfs/dbraw/zinc/99/48/43/513994843.db2.gz PFRFSBCCJFAADY-UHFFFAOYSA-N 1 3 355.526 2.912 20 0 FFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422973017 513995809 /nfs/dbraw/zinc/99/58/09/513995809.db2.gz AXFYRPRWDCDKMQ-OXQOHEQNSA-N 1 3 355.482 2.688 20 0 FFADHO [NH3+][C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000416841357 513996501 /nfs/dbraw/zinc/99/65/01/513996501.db2.gz LTNGFZYNSSISDY-SJORKVTESA-N 1 3 358.511 2.884 20 0 FFADHO O[C@]1(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CCN(Cc2ccccc2)C1 ZINC000422980762 513996814 /nfs/dbraw/zinc/99/68/14/513996814.db2.gz QYWQRFPWGPESAJ-ZRBLBEILSA-N 1 3 365.521 2.706 20 0 FFADHO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)ncn1 ZINC000422985634 513998155 /nfs/dbraw/zinc/99/81/55/513998155.db2.gz FPAGJGWVACXMAP-CRAIPNDOSA-N 1 3 354.502 2.521 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426625844 513998218 /nfs/dbraw/zinc/99/82/18/513998218.db2.gz OOTUCSJZBUCBMH-JKSUJKDBSA-N 1 3 360.493 2.622 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426625844 513998227 /nfs/dbraw/zinc/99/82/27/513998227.db2.gz OOTUCSJZBUCBMH-JKSUJKDBSA-N 1 3 360.493 2.622 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000416849893 514001144 /nfs/dbraw/zinc/00/11/44/514001144.db2.gz YPTNHSRTQFTCEL-PZJWPPBQSA-N 1 3 358.530 2.637 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416849243 514001486 /nfs/dbraw/zinc/00/14/86/514001486.db2.gz XPZGPYLQLCUZIN-CVEARBPZSA-N 1 3 350.532 2.574 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414185608 514002050 /nfs/dbraw/zinc/00/20/50/514002050.db2.gz GUEGUJPTXSPBAM-FGZHOGPDSA-N 1 3 371.569 2.784 20 0 FFADHO Cc1ccc(C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C(C)C)cc1 ZINC000414199153 514009931 /nfs/dbraw/zinc/00/99/31/514009931.db2.gz QTSRNFPOWZQFJP-JOCHJYFZSA-N 1 3 373.585 2.948 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426677570 514012997 /nfs/dbraw/zinc/01/29/97/514012997.db2.gz MPRDUCFSGPVCRX-FPOVZHCZSA-N 1 3 355.526 2.984 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426677570 514013004 /nfs/dbraw/zinc/01/30/04/514013004.db2.gz MPRDUCFSGPVCRX-FPOVZHCZSA-N 1 3 355.526 2.984 20 0 FFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCC[C@H]3CN)nc12 ZINC000423042547 514016948 /nfs/dbraw/zinc/01/69/48/514016948.db2.gz ZQXYBIOYUQJFFS-WFASDCNBSA-N 1 3 351.292 2.665 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@H]3CCC[C@H]3C[NH3+])nc12 ZINC000423042547 514016950 /nfs/dbraw/zinc/01/69/50/514016950.db2.gz ZQXYBIOYUQJFFS-WFASDCNBSA-N 1 3 351.292 2.665 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2oc3ccccc3c2OC)CC[NH2+]CC1 ZINC000423065188 514025052 /nfs/dbraw/zinc/02/50/52/514025052.db2.gz AYTWEIIONZPSKT-CQSZACIVSA-N 1 3 360.454 2.852 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000414263097 514026116 /nfs/dbraw/zinc/02/61/16/514026116.db2.gz JAYNXOJTUYECDX-HVYFLLBWSA-N 1 3 359.558 2.842 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416901587 514035160 /nfs/dbraw/zinc/03/51/60/514035160.db2.gz AJZXQYMGYKPEPN-UYAOXDASSA-N 1 3 374.529 2.614 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)NCc1ccccc1CN1CCCCC1 ZINC000416909354 514040681 /nfs/dbraw/zinc/04/06/81/514040681.db2.gz XVBPXNFEPHZRDF-UHFFFAOYSA-N 1 3 356.514 2.782 20 0 FFADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000414310786 514042635 /nfs/dbraw/zinc/04/26/35/514042635.db2.gz TYZMZLVAVZGKHX-GOSISDBHSA-N 1 3 354.494 2.857 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423112743 514046789 /nfs/dbraw/zinc/04/67/89/514046789.db2.gz KGVXFMWHLSIHNG-GUDVDZBRSA-N 1 3 359.514 2.567 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1ccc(I)cc1 ZINC000423114700 514047833 /nfs/dbraw/zinc/04/78/33/514047833.db2.gz MDVXONLTWABLMD-WFASDCNBSA-N 1 3 374.266 2.777 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000423114700 514047839 /nfs/dbraw/zinc/04/78/39/514047839.db2.gz MDVXONLTWABLMD-WFASDCNBSA-N 1 3 374.266 2.777 20 0 FFADHO COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423134322 514055103 /nfs/dbraw/zinc/05/51/03/514055103.db2.gz LYKHOFBTJRTLDW-ARFHVFGLSA-N 1 3 368.905 2.646 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC(C)(C)N2CCOCC2)CC1 ZINC000449059332 514055667 /nfs/dbraw/zinc/05/56/67/514055667.db2.gz BJYICIHIDFTMKY-IBGZPJMESA-N 1 3 359.558 2.782 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000423143618 514058295 /nfs/dbraw/zinc/05/82/95/514058295.db2.gz XOPKBOIFJRSMDK-OOSNJVJTSA-N 1 3 362.514 2.508 20 0 FFADHO CC[C@H]([NH3+])CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416968197 514074669 /nfs/dbraw/zinc/07/46/69/514074669.db2.gz YHKUCENOYDFTGN-IBGZPJMESA-N 1 3 354.498 2.952 20 0 FFADHO COc1cc(F)cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000449107581 514075320 /nfs/dbraw/zinc/07/53/20/514075320.db2.gz MWTASHFLQHDVOM-UHFFFAOYSA-N 1 3 358.461 2.531 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000416973177 514078930 /nfs/dbraw/zinc/07/89/30/514078930.db2.gz JJSQNCNVAOKARS-HKUYNNGSSA-N 1 3 358.530 2.586 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@H]21 ZINC000420302041 514080575 /nfs/dbraw/zinc/08/05/75/514080575.db2.gz FRDDAWUEWAELST-ZQNRLITLSA-N 1 3 363.452 2.515 20 0 FFADHO COc1cccc2c(C[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cccc12 ZINC000449136514 514087945 /nfs/dbraw/zinc/08/79/45/514087945.db2.gz VMBWOFAMZVJRQR-KRWDZBQOSA-N 1 3 355.482 2.525 20 0 FFADHO COc1cccc2c(CNCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cccc12 ZINC000449136514 514087953 /nfs/dbraw/zinc/08/79/53/514087953.db2.gz VMBWOFAMZVJRQR-KRWDZBQOSA-N 1 3 355.482 2.525 20 0 FFADHO COc1cccc2c(CNCCC[N@H+]3CCC[C@H](C(N)=O)C3)cccc12 ZINC000449136514 514087959 /nfs/dbraw/zinc/08/79/59/514087959.db2.gz VMBWOFAMZVJRQR-KRWDZBQOSA-N 1 3 355.482 2.525 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000420315556 514088112 /nfs/dbraw/zinc/08/81/12/514088112.db2.gz RXQOSGTZCXOEOY-RDTXWAMCSA-N 1 3 351.441 2.517 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000420329462 514096889 /nfs/dbraw/zinc/09/68/89/514096889.db2.gz OHXAZGVEXRRZHA-PBHICJAKSA-N 1 3 362.499 2.559 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000416998088 514103968 /nfs/dbraw/zinc/10/39/68/514103968.db2.gz ATMMGOKETPXSAA-ZMSDIMECSA-N 1 3 352.548 2.818 20 0 FFADHO CN1CCO[C@@H]([C@@H](NCC2(C)CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423325219 514109039 /nfs/dbraw/zinc/10/90/39/514109039.db2.gz JFOPHGANIRCDIX-MSOLQXFVSA-N 1 3 351.922 2.691 20 0 FFADHO [NH3+]C[C@@H](NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCCCC1 ZINC000420357988 514109253 /nfs/dbraw/zinc/10/92/53/514109253.db2.gz IMNVCUDKMCYDMO-LJQANCHMSA-N 1 3 372.513 2.639 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000417011369 514116827 /nfs/dbraw/zinc/11/68/27/514116827.db2.gz RVBQJEDDCHXPKH-IAGOWNOFSA-N 1 3 352.548 2.948 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417011342 514116898 /nfs/dbraw/zinc/11/68/98/514116898.db2.gz RQFIGNWUMDQQJX-WMZOPIPTSA-N 1 3 350.532 2.526 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccsc1 ZINC000417013857 514119168 /nfs/dbraw/zinc/11/91/68/514119168.db2.gz YYUXJJIHKDUJSJ-DOTOQJQBSA-N 1 3 352.548 2.901 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCn2cnnc2C2CC2)CC1 ZINC000449226887 514121642 /nfs/dbraw/zinc/12/16/42/514121642.db2.gz SCMDXNXTRQTFCY-QGZVFWFLSA-N 1 3 353.514 2.841 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)N1CCc2ccccc2C1 ZINC000417018230 514122641 /nfs/dbraw/zinc/12/26/41/514122641.db2.gz PRUKBZZJNZLLRE-NRFANRHFSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)(C)c1cccc(OCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000420389734 514124286 /nfs/dbraw/zinc/12/42/86/514124286.db2.gz YPDBXRLBLRWSQB-SFHVURJKSA-N 1 3 357.502 2.750 20 0 FFADHO CC(C)(C)c1cccc(OCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000420389734 514124293 /nfs/dbraw/zinc/12/42/93/514124293.db2.gz YPDBXRLBLRWSQB-SFHVURJKSA-N 1 3 357.502 2.750 20 0 FFADHO CCC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC)cc1 ZINC000423398419 514128289 /nfs/dbraw/zinc/12/82/89/514128289.db2.gz VJMJQFCJWXNVCZ-DLBZAZTESA-N 1 3 359.436 2.962 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417037099 514135046 /nfs/dbraw/zinc/13/50/46/514135046.db2.gz TZEPHYHWNQKPFJ-FPOVZHCZSA-N 1 3 356.514 2.609 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417046984 514140860 /nfs/dbraw/zinc/14/08/60/514140860.db2.gz ZYXPROPDRKWKDN-NJDAHSKKSA-N 1 3 370.541 2.855 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000417048239 514141479 /nfs/dbraw/zinc/14/14/79/514141479.db2.gz RDMPXZDLDYIQCN-IAGOWNOFSA-N 1 3 358.530 2.847 20 0 FFADHO CN1CCC(C[NH2+]Cc2csc3ccccc23)(N2CCOCC2)CC1 ZINC000414488085 514147489 /nfs/dbraw/zinc/14/74/89/514147489.db2.gz SXKDAEUIAOGRBU-UHFFFAOYSA-N 1 3 359.539 2.788 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCNCC2(F)F)CC1 ZINC000423478654 514149740 /nfs/dbraw/zinc/14/97/40/514149740.db2.gz NMVKZUDOMZALAQ-AEFFLSMTSA-N 1 3 351.485 2.916 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423496148 514152886 /nfs/dbraw/zinc/15/28/86/514152886.db2.gz DLGZDKBKLVTYOO-DNVCBOLYSA-N 1 3 361.511 2.726 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000417073334 514154021 /nfs/dbraw/zinc/15/40/21/514154021.db2.gz SKTFKQAQNOZVMA-FQEVSTJZSA-N 1 3 354.498 2.810 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417090151 514162706 /nfs/dbraw/zinc/16/27/06/514162706.db2.gz UVUZNRHIWDXUMS-IBGZPJMESA-N 1 3 360.546 2.838 20 0 FFADHO Cc1ccn2c(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cnc2c1 ZINC000414531960 514167030 /nfs/dbraw/zinc/16/70/30/514167030.db2.gz AITQXKHQOMLEBK-UHFFFAOYSA-N 1 3 364.493 2.759 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000449395663 514195183 /nfs/dbraw/zinc/19/51/83/514195183.db2.gz JSBZAYSJRYCAGK-KNQAVFIVSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCN(CCCO)C2)CC1 ZINC000449395663 514195189 /nfs/dbraw/zinc/19/51/89/514195189.db2.gz JSBZAYSJRYCAGK-KNQAVFIVSA-N 1 3 359.558 2.518 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423701459 514207086 /nfs/dbraw/zinc/20/70/86/514207086.db2.gz VWTIWEPTVPJDSA-SXLOBPIMSA-N 1 3 361.505 2.933 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H](CO)c2ccccc2)CC1 ZINC000449452780 514215088 /nfs/dbraw/zinc/21/50/88/514215088.db2.gz LKIFETIQRNSJQQ-JOCHJYFZSA-N 1 3 353.510 2.994 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H](CO)c2ccccc2)CC1 ZINC000449452780 514215095 /nfs/dbraw/zinc/21/50/95/514215095.db2.gz LKIFETIQRNSJQQ-JOCHJYFZSA-N 1 3 353.510 2.994 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423747100 514217591 /nfs/dbraw/zinc/21/75/91/514217591.db2.gz OZRVQMKGXZYCLM-KBXCAEBGSA-N 1 3 353.457 2.763 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423770234 514223991 /nfs/dbraw/zinc/22/39/91/514223991.db2.gz GGZPFOHCPFPTSU-UHFFFAOYSA-N 1 3 357.523 2.640 20 0 FFADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCSC1 ZINC000437783007 514235025 /nfs/dbraw/zinc/23/50/25/514235025.db2.gz ZYBCVGZYSFVIOR-IEBWSBKVSA-N 1 3 368.591 2.520 20 0 FFADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCSC1 ZINC000437783007 514235035 /nfs/dbraw/zinc/23/50/35/514235035.db2.gz ZYBCVGZYSFVIOR-IEBWSBKVSA-N 1 3 368.591 2.520 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])c(C)c2)CC1 ZINC000414750569 514273114 /nfs/dbraw/zinc/27/31/14/514273114.db2.gz LXKWUOSNXUNWGT-PXNSSMCTSA-N 1 3 373.545 2.776 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000423873669 514273120 /nfs/dbraw/zinc/27/31/20/514273120.db2.gz AVULHXKUDQYGTI-FQEVSTJZSA-N 1 3 359.514 2.728 20 0 FFADHO COc1cc(CN2CCC[C@@H](OC)C2)cc(C[N@@H+]2CCC[C@H](OC)C2)c1 ZINC000432769615 514281096 /nfs/dbraw/zinc/28/10/96/514281096.db2.gz CRNHYXAEEWGGOK-BGYRXZFFSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN2CCC[C@@H](OC)C2)cc(C[N@H+]2CCC[C@H](OC)C2)c1 ZINC000432769615 514281100 /nfs/dbraw/zinc/28/11/00/514281100.db2.gz CRNHYXAEEWGGOK-BGYRXZFFSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN2CCC[C@H](OC)C2)cc(C[N@@H+]2CCC[C@@H](OC)C2)c1 ZINC000432769615 514281104 /nfs/dbraw/zinc/28/11/04/514281104.db2.gz CRNHYXAEEWGGOK-BGYRXZFFSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN2CCC[C@H](OC)C2)cc(C[N@H+]2CCC[C@@H](OC)C2)c1 ZINC000432769615 514281105 /nfs/dbraw/zinc/28/11/05/514281105.db2.gz CRNHYXAEEWGGOK-BGYRXZFFSA-N 1 3 362.514 2.917 20 0 FFADHO c1cc(-c2nc3ccccc3s2)oc1CNCCCN1CC[NH2+]CC1 ZINC000414773951 514285743 /nfs/dbraw/zinc/28/57/43/514285743.db2.gz ASCLKVKIIMSVCX-UHFFFAOYSA-N 1 3 356.495 2.941 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCC(C)CC1 ZINC000417316714 514291458 /nfs/dbraw/zinc/29/14/58/514291458.db2.gz URYKZJDOCVATDT-FUHWJXTLSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420799092 514306216 /nfs/dbraw/zinc/30/62/16/514306216.db2.gz IHAGJMIRQSOKEA-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420799092 514306225 /nfs/dbraw/zinc/30/62/25/514306225.db2.gz IHAGJMIRQSOKEA-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000417356197 514309390 /nfs/dbraw/zinc/30/93/90/514309390.db2.gz BWURFFJTUHHOGL-IRXDYDNUSA-N 1 3 364.559 2.744 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420818315 514318039 /nfs/dbraw/zinc/31/80/39/514318039.db2.gz KYWNZXCMJIRNDV-OTBHMBEGSA-N 1 3 358.530 2.994 20 0 FFADHO N[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414882076 514339485 /nfs/dbraw/zinc/33/94/85/514339485.db2.gz BLIKPLSIZNQJMB-QGZVFWFLSA-N 1 3 352.320 2.740 20 0 FFADHO [NH3+][C@H](CNC1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000414882076 514339489 /nfs/dbraw/zinc/33/94/89/514339489.db2.gz BLIKPLSIZNQJMB-QGZVFWFLSA-N 1 3 352.320 2.740 20 0 FFADHO Cc1c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc(F)c1F ZINC000417515481 514390183 /nfs/dbraw/zinc/39/01/83/514390183.db2.gz DOILOXCZIYMBLT-UHFFFAOYSA-N 1 3 366.456 2.953 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415003443 514397614 /nfs/dbraw/zinc/39/76/14/514397614.db2.gz NAGBRCZXVUNMIJ-RDJZCZTQSA-N 1 3 356.470 2.656 20 0 FFADHO C[C@@H]1C[C@H]1N1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H](C)C1 ZINC000420957462 514400284 /nfs/dbraw/zinc/40/02/84/514400284.db2.gz BRLHZUILNQSUCV-WOIUINJBSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@@H]1C[C@H]1N1CC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H](C)C1 ZINC000420957462 514400292 /nfs/dbraw/zinc/40/02/92/514400292.db2.gz BRLHZUILNQSUCV-WOIUINJBSA-N 1 3 357.542 2.681 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420971173 514410666 /nfs/dbraw/zinc/41/06/66/514410666.db2.gz JMRRPKMXRXEGGH-NRFANRHFSA-N 1 3 361.505 2.823 20 0 FFADHO CCCN1CCN(c2ccccc2CN[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000415048004 514415922 /nfs/dbraw/zinc/41/59/22/514415922.db2.gz BMKBEJWPMBQKMY-QGZVFWFLSA-N 1 3 358.452 2.588 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cc4ccccc4[nH]c3=O)CC2)CC1 ZINC000420984907 514423806 /nfs/dbraw/zinc/42/38/06/514423806.db2.gz VGLHQIXCWLUWKU-UHFFFAOYSA-N 1 3 368.525 2.932 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cc4ccccc4[nH]c3=O)CC2)CC1 ZINC000420984907 514423811 /nfs/dbraw/zinc/42/38/11/514423811.db2.gz VGLHQIXCWLUWKU-UHFFFAOYSA-N 1 3 368.525 2.932 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415067990 514426220 /nfs/dbraw/zinc/42/62/20/514426220.db2.gz LWLOHMGKHUQBBO-INIZCTEOSA-N 1 3 364.559 2.917 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](CCN3CCc4ccccc43)CC2)C[C@H](C)O1 ZINC000428249504 514432784 /nfs/dbraw/zinc/43/27/84/514432784.db2.gz XZZFYYJGGXBUJU-OALUTQOASA-N 1 3 357.542 2.870 20 0 FFADHO CCCCOc1cccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424289613 514447664 /nfs/dbraw/zinc/44/76/64/514447664.db2.gz MCRUUTNNNYQEAH-GOSISDBHSA-N 1 3 373.541 2.946 20 0 FFADHO C[N@H+](C[C@@H](O)CN1CC[C@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433320780 514458156 /nfs/dbraw/zinc/45/81/56/514458156.db2.gz SXLBXOJKURALCQ-CRAIPNDOSA-N 1 3 367.331 2.769 20 0 FFADHO C[N@@H+](C[C@@H](O)CN1CC[C@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433320780 514458158 /nfs/dbraw/zinc/45/81/58/514458158.db2.gz SXLBXOJKURALCQ-CRAIPNDOSA-N 1 3 367.331 2.769 20 0 FFADHO CCn1nc(C)c(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1C ZINC000415134521 514460345 /nfs/dbraw/zinc/46/03/45/514460345.db2.gz ORNVWJBKTSVNPD-UHFFFAOYSA-N 1 3 355.530 2.603 20 0 FFADHO [NH3+]C1(CNCc2cccc3c2NCC3)CCN(Cc2ccccc2)CC1 ZINC000415139880 514465038 /nfs/dbraw/zinc/46/50/38/514465038.db2.gz XKMSFFGCWDOJEW-UHFFFAOYSA-N 1 3 350.510 2.738 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450027306 514471990 /nfs/dbraw/zinc/47/19/90/514471990.db2.gz NXDGIGPOEKVVLE-UXHICEINSA-N 1 3 365.562 2.743 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450027307 514472472 /nfs/dbraw/zinc/47/24/72/514472472.db2.gz NXDGIGPOEKVVLE-VQTJNVASSA-N 1 3 365.562 2.743 20 0 FFADHO CCCCN1CCCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439143907 514500181 /nfs/dbraw/zinc/50/01/81/514500181.db2.gz TVKUSKITFSIAOT-RBUKOAKNSA-N 1 3 353.551 2.550 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000439192017 514505769 /nfs/dbraw/zinc/50/57/69/514505769.db2.gz RRIJRYUMMARNCA-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000439192017 514505773 /nfs/dbraw/zinc/50/57/73/514505773.db2.gz RRIJRYUMMARNCA-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCN1C ZINC000466030932 514543531 /nfs/dbraw/zinc/54/35/31/514543531.db2.gz DJBXRQGIHQUXIS-AKHDSKFASA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCN1C ZINC000466030932 514543533 /nfs/dbraw/zinc/54/35/33/514543533.db2.gz DJBXRQGIHQUXIS-AKHDSKFASA-N 1 3 350.551 2.765 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000439406554 514545490 /nfs/dbraw/zinc/54/54/90/514545490.db2.gz FPNYOCJQMXDNDK-KRWDZBQOSA-N 1 3 374.533 2.542 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc(C)nc1C1CC1 ZINC000439406554 514545498 /nfs/dbraw/zinc/54/54/98/514545498.db2.gz FPNYOCJQMXDNDK-KRWDZBQOSA-N 1 3 374.533 2.542 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[N@@H+]1C ZINC000466037835 514546654 /nfs/dbraw/zinc/54/66/54/514546654.db2.gz JOGNSZWRPFHSPX-KYHPRHEASA-N 1 3 364.559 2.913 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000466037835 514546660 /nfs/dbraw/zinc/54/66/60/514546660.db2.gz JOGNSZWRPFHSPX-KYHPRHEASA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453111589 514548076 /nfs/dbraw/zinc/54/80/76/514548076.db2.gz OZFJPWKZLWZEQL-PNJWGLBASA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453111589 514548080 /nfs/dbraw/zinc/54/80/80/514548080.db2.gz OZFJPWKZLWZEQL-PNJWGLBASA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453111589 514548085 /nfs/dbraw/zinc/54/80/85/514548085.db2.gz OZFJPWKZLWZEQL-PNJWGLBASA-N 1 3 370.585 2.655 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)N(C)C)cc1 ZINC000466144909 514566043 /nfs/dbraw/zinc/56/60/43/514566043.db2.gz OPUDAUIYYIJLPM-YSGRDPCXSA-N 1 3 358.530 2.634 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)N(C)C)cc1 ZINC000466144909 514566050 /nfs/dbraw/zinc/56/60/50/514566050.db2.gz OPUDAUIYYIJLPM-YSGRDPCXSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CN1Cc1ccccc1 ZINC000466197987 514573379 /nfs/dbraw/zinc/57/33/79/514573379.db2.gz FIBKIGWUHIDZJD-MDNKFWRPSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CN1Cc1ccccc1 ZINC000466197987 514573384 /nfs/dbraw/zinc/57/33/84/514573384.db2.gz FIBKIGWUHIDZJD-MDNKFWRPSA-N 1 3 356.514 2.575 20 0 FFADHO CN(C)CCOCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453221956 514573958 /nfs/dbraw/zinc/57/39/58/514573958.db2.gz ODNIVHDWNCYMEH-QGZVFWFLSA-N 1 3 355.320 2.938 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475161280 514576624 /nfs/dbraw/zinc/57/66/24/514576624.db2.gz FVHLDTJMEFIMQR-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475161280 514576627 /nfs/dbraw/zinc/57/66/27/514576627.db2.gz FVHLDTJMEFIMQR-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475178475 514579310 /nfs/dbraw/zinc/57/93/10/514579310.db2.gz QXXAJBMUPHZBEL-ICSRJNTNSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475178475 514579312 /nfs/dbraw/zinc/57/93/12/514579312.db2.gz QXXAJBMUPHZBEL-ICSRJNTNSA-N 1 3 356.514 2.529 20 0 FFADHO OCCN1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453262869 514582647 /nfs/dbraw/zinc/58/26/47/514582647.db2.gz LBKAKWCFEIGCCH-KJJMTIBFSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453262869 514582650 /nfs/dbraw/zinc/58/26/50/514582650.db2.gz LBKAKWCFEIGCCH-KJJMTIBFSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453262869 514582652 /nfs/dbraw/zinc/58/26/52/514582652.db2.gz LBKAKWCFEIGCCH-KJJMTIBFSA-N 1 3 357.542 2.618 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470731453 514587305 /nfs/dbraw/zinc/58/73/05/514587305.db2.gz DWDMVTAYBQCBIZ-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470731453 514587310 /nfs/dbraw/zinc/58/73/10/514587310.db2.gz DWDMVTAYBQCBIZ-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000466446764 514649183 /nfs/dbraw/zinc/64/91/83/514649183.db2.gz SLKAEGCXNHQCFN-UTKZUKDTSA-N 1 3 370.541 2.954 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000497836000 514654704 /nfs/dbraw/zinc/65/47/04/514654704.db2.gz LVMYOKZZQBMLKO-MJGOQNOKSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000497836000 514654713 /nfs/dbraw/zinc/65/47/13/514654713.db2.gz LVMYOKZZQBMLKO-MJGOQNOKSA-N 1 3 362.493 2.745 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466513461 514669098 /nfs/dbraw/zinc/66/90/98/514669098.db2.gz IFZJKBQEAICSMO-ICSRJNTNSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466513461 514669108 /nfs/dbraw/zinc/66/91/08/514669108.db2.gz IFZJKBQEAICSMO-ICSRJNTNSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000458259545 514669473 /nfs/dbraw/zinc/66/94/73/514669473.db2.gz GSZQHAMDZOZMJW-NHCUHLMSSA-N 1 3 372.557 2.675 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000458259545 514669484 /nfs/dbraw/zinc/66/94/84/514669484.db2.gz GSZQHAMDZOZMJW-NHCUHLMSSA-N 1 3 372.557 2.675 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466620570 514710486 /nfs/dbraw/zinc/71/04/86/514710486.db2.gz VHYLNSMVFXTVNK-VQIMIIECSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000479790489 514725798 /nfs/dbraw/zinc/72/57/98/514725798.db2.gz VYZMAAQVKUZXMY-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCCC1)c1ccccc1 ZINC000458361634 514732338 /nfs/dbraw/zinc/73/23/38/514732338.db2.gz AWIZAOHKHFKVLY-YZGWKJHDSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000508330225 514744777 /nfs/dbraw/zinc/74/47/77/514744777.db2.gz GXODYNDIGIZOPO-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CCN(C)CC[C@H]3C)CC2)CC1 ZINC000502821423 514794344 /nfs/dbraw/zinc/79/43/44/514794344.db2.gz GFLDDYMTSMVLKG-LMDPOFIKSA-N 1 3 350.551 2.765 20 0 FFADHO CS[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[C@@H]1N(C)C ZINC000455873634 514803734 /nfs/dbraw/zinc/80/37/34/514803734.db2.gz ZUCKSQMRIIVHOC-FGTMMUONSA-N 1 3 362.543 2.745 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000462002232 514825988 /nfs/dbraw/zinc/82/59/88/514825988.db2.gz LAAIKTFLPRUFLZ-INIZCTEOSA-N 1 3 350.507 2.614 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000462002232 514825991 /nfs/dbraw/zinc/82/59/91/514825991.db2.gz LAAIKTFLPRUFLZ-INIZCTEOSA-N 1 3 350.507 2.614 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccsc1)C(C)(C)C[NH+](C)C ZINC000458515256 514861713 /nfs/dbraw/zinc/86/17/13/514861713.db2.gz LCXFZTGCHDYHEP-OAHLLOKOSA-N 1 3 354.564 2.798 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000458524830 514871203 /nfs/dbraw/zinc/87/12/03/514871203.db2.gz ZUCBJRLCRMJQDX-SJORKVTESA-N 1 3 352.548 2.694 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000458560766 514904041 /nfs/dbraw/zinc/90/40/41/514904041.db2.gz QOPBFCZFFIEMPQ-RLLQIKCJSA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000458560766 514904054 /nfs/dbraw/zinc/90/40/54/514904054.db2.gz QOPBFCZFFIEMPQ-RLLQIKCJSA-N 1 3 358.530 2.774 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489595236 514911485 /nfs/dbraw/zinc/91/14/85/514911485.db2.gz SJXZEVFRTLAGGR-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489595236 514911493 /nfs/dbraw/zinc/91/14/93/514911493.db2.gz SJXZEVFRTLAGGR-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1)N(C)C ZINC000508848085 514917737 /nfs/dbraw/zinc/91/77/37/514917737.db2.gz BMXSZHPLBCVZEK-PXNSSMCTSA-N 1 3 360.546 2.969 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1)N(C)C ZINC000508873198 514930980 /nfs/dbraw/zinc/93/09/80/514930980.db2.gz SOLHKBFGUJVIDN-FXAWDEMLSA-N 1 3 360.546 2.969 20 0 FFADHO C[NH+](C)CCOC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000508918031 514955700 /nfs/dbraw/zinc/95/57/00/514955700.db2.gz XDGUBQUBWMHZMB-OAQYLSRUSA-N 1 3 362.514 2.787 20 0 FFADHO CCN1C[C@H](C)N(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000498565621 514972388 /nfs/dbraw/zinc/97/23/88/514972388.db2.gz CHAIIQCZGHJNOF-PMACEKPBSA-N 1 3 372.557 2.530 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000509038737 514998653 /nfs/dbraw/zinc/99/86/53/514998653.db2.gz IAKHRIIHSBPNBW-YOEHRIQHSA-N 1 3 354.926 2.972 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000503405522 515022083 /nfs/dbraw/zinc/02/20/83/515022083.db2.gz ZSXNYMYWZQIIAN-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO NCCC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)CC1CCCC1 ZINC000489911314 515028800 /nfs/dbraw/zinc/02/88/00/515028800.db2.gz RLSNRYJBRZTUFO-UHFFFAOYSA-N 1 3 357.498 2.904 20 0 FFADHO NCCC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)CC1CCCC1 ZINC000489911314 515028805 /nfs/dbraw/zinc/02/88/05/515028805.db2.gz RLSNRYJBRZTUFO-UHFFFAOYSA-N 1 3 357.498 2.904 20 0 FFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@@H](C)C1 ZINC000489938811 515038232 /nfs/dbraw/zinc/03/82/32/515038232.db2.gz PLIICCNBEVBHAZ-MIGBRYPXSA-N 1 3 370.541 2.804 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000458737107 515054420 /nfs/dbraw/zinc/05/44/20/515054420.db2.gz PGFMMDFDPIKVBH-FPOVZHCZSA-N 1 3 362.562 2.911 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000458737107 515054429 /nfs/dbraw/zinc/05/44/29/515054429.db2.gz PGFMMDFDPIKVBH-FPOVZHCZSA-N 1 3 362.562 2.911 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccco1 ZINC000458751934 515064988 /nfs/dbraw/zinc/06/49/88/515064988.db2.gz CATBJODIBAIZFN-ULQDDVLXSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccco1 ZINC000458751934 515064997 /nfs/dbraw/zinc/06/49/97/515064997.db2.gz CATBJODIBAIZFN-ULQDDVLXSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000458776367 515084531 /nfs/dbraw/zinc/08/45/31/515084531.db2.gz RSTYYWHBELGUSC-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000458776367 515084540 /nfs/dbraw/zinc/08/45/40/515084540.db2.gz RSTYYWHBELGUSC-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000509396614 515156683 /nfs/dbraw/zinc/15/66/83/515156683.db2.gz LDYONIJGVPVNLV-WMLDXEAASA-N 1 3 357.420 2.507 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)N(C)C)cc1 ZINC000458889621 515174539 /nfs/dbraw/zinc/17/45/39/515174539.db2.gz JPMSBGDSWDLUIQ-GOSISDBHSA-N 1 3 362.543 2.501 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000499199954 515234308 /nfs/dbraw/zinc/23/43/08/515234308.db2.gz ACRYQBHEASCZDS-LPHOPBHVSA-N 1 3 364.509 2.706 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000499199954 515234316 /nfs/dbraw/zinc/23/43/16/515234316.db2.gz ACRYQBHEASCZDS-LPHOPBHVSA-N 1 3 364.509 2.706 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccco1 ZINC000509575711 515240299 /nfs/dbraw/zinc/24/02/99/515240299.db2.gz XSVONQNACDKJRA-MLHJIOFPSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccco1 ZINC000509575711 515240309 /nfs/dbraw/zinc/24/03/09/515240309.db2.gz XSVONQNACDKJRA-MLHJIOFPSA-N 1 3 362.518 2.835 20 0 FFADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCOCC[NH+](C)C ZINC000499240650 515251697 /nfs/dbraw/zinc/25/16/97/515251697.db2.gz XFFLJWAZHHHKER-UHFFFAOYSA-N 1 3 364.921 2.869 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000454267835 515352909 /nfs/dbraw/zinc/35/29/09/515352909.db2.gz JVIXFOUBOVLFKI-BZSNNMDCSA-N 1 3 360.546 2.914 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000486274913 515412719 /nfs/dbraw/zinc/41/27/19/515412719.db2.gz ZXIZVIKHJUTERV-JKSUJKDBSA-N 1 3 367.484 2.943 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000486274913 515412730 /nfs/dbraw/zinc/41/27/30/515412730.db2.gz ZXIZVIKHJUTERV-JKSUJKDBSA-N 1 3 367.484 2.943 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000463271809 515424581 /nfs/dbraw/zinc/42/45/81/515424581.db2.gz MSBMVSORQVDZRH-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](CCNC(=O)NCCN1CCC[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000472973459 515462823 /nfs/dbraw/zinc/46/28/23/515462823.db2.gz ZJCKNOJPRBGBRC-MOPGFXCFSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H](CCNC(=O)NCCN1CCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000472973459 515462832 /nfs/dbraw/zinc/46/28/32/515462832.db2.gz ZJCKNOJPRBGBRC-MOPGFXCFSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000510328385 515505658 /nfs/dbraw/zinc/50/56/58/515505658.db2.gz YZTGISDKDOCKBE-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000510328385 515505663 /nfs/dbraw/zinc/50/56/63/515505663.db2.gz YZTGISDKDOCKBE-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000473162074 515520865 /nfs/dbraw/zinc/52/08/65/515520865.db2.gz DSRHXILEQVKJOP-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000473162074 515520869 /nfs/dbraw/zinc/52/08/69/515520869.db2.gz DSRHXILEQVKJOP-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000459421798 515541045 /nfs/dbraw/zinc/54/10/45/515541045.db2.gz WYCHXWJZAHOJMU-RXVVDRJESA-N 1 3 360.546 2.777 20 0 FFADHO COc1cccc2c1CC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000482117437 515579257 /nfs/dbraw/zinc/57/92/57/515579257.db2.gz DEQSQPKHKIAEKK-OAQYLSRUSA-N 1 3 366.509 2.879 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000473333286 515580857 /nfs/dbraw/zinc/58/08/57/515580857.db2.gz YUUOOSJYGRDEDC-LMMKCTJWSA-N 1 3 353.551 2.501 20 0 FFADHO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)ccc1OCCO ZINC000459481579 515582826 /nfs/dbraw/zinc/58/28/26/515582826.db2.gz WXQSLASWDWRVKL-MRXNPFEDSA-N 1 3 371.481 2.781 20 0 FFADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000500134889 515603811 /nfs/dbraw/zinc/60/38/11/515603811.db2.gz TVAKBIBEXRQUGR-XUVXKRRUSA-N 1 3 351.579 2.928 20 0 FFADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000500134889 515603821 /nfs/dbraw/zinc/60/38/21/515603821.db2.gz TVAKBIBEXRQUGR-XUVXKRRUSA-N 1 3 351.579 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000454607582 515604625 /nfs/dbraw/zinc/60/46/25/515604625.db2.gz OCFYQFNPEVZVQI-QUCCMNQESA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000454607582 515604635 /nfs/dbraw/zinc/60/46/35/515604635.db2.gz OCFYQFNPEVZVQI-QUCCMNQESA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C[NH+]1CCCC1 ZINC000454615350 515611626 /nfs/dbraw/zinc/61/16/26/515611626.db2.gz JCKCFGCKEANBTA-WOJBJXKFSA-N 1 3 372.557 2.882 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1 ZINC000457135046 515678289 /nfs/dbraw/zinc/67/82/89/515678289.db2.gz VWDAOTILZGBTKK-IBGZPJMESA-N 1 3 361.530 2.962 20 0 FFADHO CCOc1ccc(CC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000505807860 515680532 /nfs/dbraw/zinc/68/05/32/515680532.db2.gz UDWXFFVSHSJBKZ-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CCOc1ccc(CC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000505807860 515680541 /nfs/dbraw/zinc/68/05/41/515680541.db2.gz UDWXFFVSHSJBKZ-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000454721487 515692247 /nfs/dbraw/zinc/69/22/47/515692247.db2.gz RQBVSRPADOBLKC-ACBHZAAOSA-N 1 3 352.567 2.917 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000464074619 515702547 /nfs/dbraw/zinc/70/25/47/515702547.db2.gz VRTKZANPAHRHEZ-IBGZPJMESA-N 1 3 373.545 2.840 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000464074619 515702553 /nfs/dbraw/zinc/70/25/53/515702553.db2.gz VRTKZANPAHRHEZ-IBGZPJMESA-N 1 3 373.545 2.840 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454813184 515761789 /nfs/dbraw/zinc/76/17/89/515761789.db2.gz WVWZMRGYYUNCER-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454813184 515761799 /nfs/dbraw/zinc/76/17/99/515761799.db2.gz WVWZMRGYYUNCER-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)C ZINC000482680849 515767506 /nfs/dbraw/zinc/76/75/06/515767506.db2.gz ZWYICEUVJNBBOW-XFKSJGNHSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)C ZINC000482680849 515767516 /nfs/dbraw/zinc/76/75/16/515767516.db2.gz ZWYICEUVJNBBOW-XFKSJGNHSA-N 1 3 358.530 2.912 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000457370225 515832755 /nfs/dbraw/zinc/83/27/55/515832755.db2.gz DJZDKJCNKIFAKP-PMACEKPBSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000457370225 515832767 /nfs/dbraw/zinc/83/27/67/515832767.db2.gz DJZDKJCNKIFAKP-PMACEKPBSA-N 1 3 358.530 2.948 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000469564494 515868695 /nfs/dbraw/zinc/86/86/95/515868695.db2.gz ZIUAPSUCXZTJJJ-HXUWFJFHSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000500829839 515875781 /nfs/dbraw/zinc/87/57/81/515875781.db2.gz AGGZDHFKIBUDHM-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000500829839 515875787 /nfs/dbraw/zinc/87/57/87/515875787.db2.gz AGGZDHFKIBUDHM-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000457457615 515882967 /nfs/dbraw/zinc/88/29/67/515882967.db2.gz LLYJXRSONBMKKO-UHFFFAOYSA-N 1 3 352.548 2.694 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H](C)C1 ZINC000487516141 515886010 /nfs/dbraw/zinc/88/60/10/515886010.db2.gz FQAKDQMZXKNICJ-YQQAZPJKSA-N 1 3 350.551 2.667 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000487543713 515898800 /nfs/dbraw/zinc/89/88/00/515898800.db2.gz UMXGPTLZDXFAID-PZJWPPBQSA-N 1 3 358.530 2.807 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000487543713 515898808 /nfs/dbraw/zinc/89/88/08/515898808.db2.gz UMXGPTLZDXFAID-PZJWPPBQSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511516736 515930275 /nfs/dbraw/zinc/93/02/75/515930275.db2.gz VXWGTTDILYNXIQ-HKUYNNGSSA-N 1 3 360.546 2.927 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474289893 515974599 /nfs/dbraw/zinc/97/45/99/515974599.db2.gz BZYMSEMUDOSOTO-JOCHJYFZSA-N 1 3 363.505 2.942 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@@H](C)C1 ZINC000487818523 515990815 /nfs/dbraw/zinc/99/08/15/515990815.db2.gz JCKFGWDIONOSLO-SQGPQFPESA-N 1 3 358.530 2.620 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000487964843 516056034 /nfs/dbraw/zinc/05/60/34/516056034.db2.gz QXAPKHXRKDXXIF-OKYOBFRVSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000487964843 516056044 /nfs/dbraw/zinc/05/60/44/516056044.db2.gz QXAPKHXRKDXXIF-OKYOBFRVSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000469981682 516060709 /nfs/dbraw/zinc/06/07/09/516060709.db2.gz LERSEXDAIQDUAI-ROUUACIJSA-N 1 3 359.514 2.650 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000483393953 516064242 /nfs/dbraw/zinc/06/42/42/516064242.db2.gz IOEFCIZFUZIPOK-ROUUACIJSA-N 1 3 355.592 2.927 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000501330748 516065119 /nfs/dbraw/zinc/06/51/19/516065119.db2.gz JHTMJXOQDPNNBI-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000501330748 516065129 /nfs/dbraw/zinc/06/51/29/516065129.db2.gz JHTMJXOQDPNNBI-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000511907565 516076316 /nfs/dbraw/zinc/07/63/16/516076316.db2.gz SVZGBWLDVDJXJG-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000511907565 516076320 /nfs/dbraw/zinc/07/63/20/516076320.db2.gz SVZGBWLDVDJXJG-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000465154533 516080170 /nfs/dbraw/zinc/08/01/70/516080170.db2.gz JAWHIQMHABTQFI-QGZVFWFLSA-N 1 3 362.518 2.726 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000465154533 516080180 /nfs/dbraw/zinc/08/01/80/516080180.db2.gz JAWHIQMHABTQFI-QGZVFWFLSA-N 1 3 362.518 2.726 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457727580 516101923 /nfs/dbraw/zinc/10/19/23/516101923.db2.gz GBDWIWCIPFXKLK-AZUAARDMSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457727580 516101930 /nfs/dbraw/zinc/10/19/30/516101930.db2.gz GBDWIWCIPFXKLK-AZUAARDMSA-N 1 3 350.551 2.768 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000457748272 516119178 /nfs/dbraw/zinc/11/91/78/516119178.db2.gz MFIUJXOABMPZAQ-IRLDBZIGSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000457748272 516119184 /nfs/dbraw/zinc/11/91/84/516119184.db2.gz MFIUJXOABMPZAQ-IRLDBZIGSA-N 1 3 370.541 2.951 20 0 FFADHO COc1ccc(CNCCCC[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000512024099 516119559 /nfs/dbraw/zinc/11/95/59/516119559.db2.gz MEVZDMQOEYXZPD-HNNXBMFYSA-N 1 3 371.319 2.784 20 0 FFADHO COc1ccc(CNCCCC[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000512024099 516119567 /nfs/dbraw/zinc/11/95/67/516119567.db2.gz MEVZDMQOEYXZPD-HNNXBMFYSA-N 1 3 371.319 2.784 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457753293 516120202 /nfs/dbraw/zinc/12/02/02/516120202.db2.gz XODPIFPTXUVHBC-GUDVDZBRSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000501533420 516143077 /nfs/dbraw/zinc/14/30/77/516143077.db2.gz QPFLVHKXMWSMIW-HCXYKTFWSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000501533420 516143086 /nfs/dbraw/zinc/14/30/86/516143086.db2.gz QPFLVHKXMWSMIW-HCXYKTFWSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000501530685 516143206 /nfs/dbraw/zinc/14/32/06/516143206.db2.gz CJSYDMMPBZHRJK-DLBZAZTESA-N 1 3 362.518 2.869 20 0 FFADHO C[C@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000501530685 516143213 /nfs/dbraw/zinc/14/32/13/516143213.db2.gz CJSYDMMPBZHRJK-DLBZAZTESA-N 1 3 362.518 2.869 20 0 FFADHO CN(C)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000465423679 516146347 /nfs/dbraw/zinc/14/63/47/516146347.db2.gz NOPYOHXAIGABSM-UXHICEINSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000465423679 516146351 /nfs/dbraw/zinc/14/63/51/516146351.db2.gz NOPYOHXAIGABSM-UXHICEINSA-N 1 3 360.546 2.675 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479352705 516160846 /nfs/dbraw/zinc/16/08/46/516160846.db2.gz XZDHEJUYBLSGDX-IXDOHACOSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479352705 516160852 /nfs/dbraw/zinc/16/08/52/516160852.db2.gz XZDHEJUYBLSGDX-IXDOHACOSA-N 1 3 350.507 2.740 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483689829 516173498 /nfs/dbraw/zinc/17/34/98/516173498.db2.gz WTSIGEIETGDPJH-FQEVSTJZSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483689829 516173504 /nfs/dbraw/zinc/17/35/04/516173504.db2.gz WTSIGEIETGDPJH-FQEVSTJZSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000507409014 516203629 /nfs/dbraw/zinc/20/36/29/516203629.db2.gz QEOKSJMSSZCTNP-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000507409014 516203638 /nfs/dbraw/zinc/20/36/38/516203638.db2.gz QEOKSJMSSZCTNP-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000507430787 516209239 /nfs/dbraw/zinc/20/92/39/516209239.db2.gz SLMDODWBGSBSTE-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000507430787 516209247 /nfs/dbraw/zinc/20/92/47/516209247.db2.gz SLMDODWBGSBSTE-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000501777185 516222480 /nfs/dbraw/zinc/22/24/80/516222480.db2.gz OZIFBCRKBZUQQV-QZTJIDSGSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000457920457 516230618 /nfs/dbraw/zinc/23/06/18/516230618.db2.gz FCNYYGZTCBLYNV-KZNAEPCWSA-N 1 3 352.567 2.867 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000457936207 516241393 /nfs/dbraw/zinc/24/13/93/516241393.db2.gz SHZQJXSIOQPSDI-RLLQIKCJSA-N 1 3 358.530 2.946 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000457936207 516241400 /nfs/dbraw/zinc/24/14/00/516241400.db2.gz SHZQJXSIOQPSDI-RLLQIKCJSA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCC(C)CC1 ZINC000465754919 516248566 /nfs/dbraw/zinc/24/85/66/516248566.db2.gz MBUVXSAIVJEDTO-CTWPCTMYSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCC(C)CC1 ZINC000465754919 516248572 /nfs/dbraw/zinc/24/85/72/516248572.db2.gz MBUVXSAIVJEDTO-CTWPCTMYSA-N 1 3 352.567 2.870 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000465761772 516249426 /nfs/dbraw/zinc/24/94/26/516249426.db2.gz SFGCAFUSIROZTP-DFQSSKMNSA-N 1 3 358.530 2.948 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000465781012 516255253 /nfs/dbraw/zinc/25/52/53/516255253.db2.gz ISQRAZYFXHBXLU-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000465781012 516255261 /nfs/dbraw/zinc/25/52/61/516255261.db2.gz ISQRAZYFXHBXLU-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000465789390 516257450 /nfs/dbraw/zinc/25/74/50/516257450.db2.gz ROAXRGBHWYGNRN-NHCUHLMSSA-N 1 3 372.557 2.601 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000465789390 516257456 /nfs/dbraw/zinc/25/74/56/516257456.db2.gz ROAXRGBHWYGNRN-NHCUHLMSSA-N 1 3 372.557 2.601 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCN1CC=C(C)CC1)[NH+](C)C ZINC000501940110 516269340 /nfs/dbraw/zinc/26/93/40/516269340.db2.gz QZLIXYPQUPGCAR-AZUAARDMSA-N 1 3 358.530 2.937 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000488793703 516310097 /nfs/dbraw/zinc/31/00/97/516310097.db2.gz ITSAHFFTVJAPQP-ROUUACIJSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000488793703 516310104 /nfs/dbraw/zinc/31/01/04/516310104.db2.gz ITSAHFFTVJAPQP-ROUUACIJSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512627814 516316502 /nfs/dbraw/zinc/31/65/02/516316502.db2.gz BGEPESYYROYBFW-PSWRPDDJSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512627814 516316506 /nfs/dbraw/zinc/31/65/06/516316506.db2.gz BGEPESYYROYBFW-PSWRPDDJSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512627814 516316510 /nfs/dbraw/zinc/31/65/10/516316510.db2.gz BGEPESYYROYBFW-PSWRPDDJSA-N 1 3 357.542 2.597 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)s1 ZINC000512684601 516321297 /nfs/dbraw/zinc/32/12/97/516321297.db2.gz GHECSPNOSSFWNQ-AWEZNQCLSA-N 1 3 357.951 2.819 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)s1 ZINC000512684601 516321299 /nfs/dbraw/zinc/32/12/99/516321299.db2.gz GHECSPNOSSFWNQ-AWEZNQCLSA-N 1 3 357.951 2.819 20 0 FFADHO COc1cc(C)c(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)n1 ZINC000543618186 516330975 /nfs/dbraw/zinc/33/09/75/516330975.db2.gz QSVOBMSDPPHSSX-UHFFFAOYSA-N 1 3 360.546 2.557 20 0 FFADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000561145586 516405861 /nfs/dbraw/zinc/40/58/61/516405861.db2.gz WHEAKUZKRPXFIY-WMZOPIPTSA-N 1 3 358.530 2.511 20 0 FFADHO CC1CCN(CCNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000561144917 516406837 /nfs/dbraw/zinc/40/68/37/516406837.db2.gz RHDZEUPVGPKNDG-HUUCEWRRSA-N 1 3 363.468 2.743 20 0 FFADHO CC1CCN(CCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000561144917 516406844 /nfs/dbraw/zinc/40/68/44/516406844.db2.gz RHDZEUPVGPKNDG-HUUCEWRRSA-N 1 3 363.468 2.743 20 0 FFADHO O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)CC1(O)CCC1 ZINC000528407640 516414344 /nfs/dbraw/zinc/41/43/44/516414344.db2.gz RQLYIKSEJQPVNY-HKBOAZHASA-N 1 3 358.526 2.639 20 0 FFADHO O[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)CC1(O)CCC1 ZINC000528407640 516414354 /nfs/dbraw/zinc/41/43/54/516414354.db2.gz RQLYIKSEJQPVNY-HKBOAZHASA-N 1 3 358.526 2.639 20 0 FFADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000543762956 516416700 /nfs/dbraw/zinc/41/67/00/516416700.db2.gz PQDLDXZYNYROKV-HSALFYBXSA-N 1 3 355.526 2.922 20 0 FFADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000543762960 516417435 /nfs/dbraw/zinc/41/74/35/516417435.db2.gz PQDLDXZYNYROKV-SLFFLAALSA-N 1 3 355.526 2.922 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000561196267 516443962 /nfs/dbraw/zinc/44/39/62/516443962.db2.gz QMBJBVSOQZBIGE-PXNSSMCTSA-N 1 3 372.557 2.840 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nccn3CC(C)C)CC2)CC1 ZINC000561208386 516451031 /nfs/dbraw/zinc/45/10/31/516451031.db2.gz YNXWGSFOACURLT-UHFFFAOYSA-N 1 3 361.534 2.674 20 0 FFADHO Cc1ccc2nc(CNCCc3ccc(OCC[NH+](C)C)cc3)cn2c1 ZINC000561288909 516502715 /nfs/dbraw/zinc/50/27/15/516502715.db2.gz LDHJHOAVMLPSDJ-UHFFFAOYSA-N 1 3 352.482 2.915 20 0 FFADHO CC[N@H+](CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC1 ZINC000523595565 516515393 /nfs/dbraw/zinc/51/53/93/516515393.db2.gz AFCRPTKPYPRZHW-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO CC[N@@H+](CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC1 ZINC000523595565 516515401 /nfs/dbraw/zinc/51/54/01/516515401.db2.gz AFCRPTKPYPRZHW-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO c1ccc(CCN2CC[C@@H](C[NH2+]C3CCN(c4cnccn4)CC3)C2)cc1 ZINC000531705064 516601880 /nfs/dbraw/zinc/60/18/80/516601880.db2.gz ZEVXEUWRBJMIPR-FQEVSTJZSA-N 1 3 365.525 2.600 20 0 FFADHO C[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000540550191 516614040 /nfs/dbraw/zinc/61/40/40/516614040.db2.gz VETCXNKZKZQCMQ-SFHVURJKSA-N 1 3 355.526 2.708 20 0 FFADHO C[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000540550191 516614045 /nfs/dbraw/zinc/61/40/45/516614045.db2.gz VETCXNKZKZQCMQ-SFHVURJKSA-N 1 3 355.526 2.708 20 0 FFADHO CC1CCN(CCNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000518403385 516646666 /nfs/dbraw/zinc/64/66/66/516646666.db2.gz MGLRUZIDVYRCBT-HDICACEKSA-N 1 3 352.567 2.774 20 0 FFADHO CC1CCN(CCNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000518403385 516646672 /nfs/dbraw/zinc/64/66/72/516646672.db2.gz MGLRUZIDVYRCBT-HDICACEKSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000518403801 516647410 /nfs/dbraw/zinc/64/74/10/516647410.db2.gz WIDVQVHHHWTFJC-QWFCFKBJSA-N 1 3 358.530 2.996 20 0 FFADHO CCOc1ccc(OC[C@@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000524155906 516656903 /nfs/dbraw/zinc/65/69/03/516656903.db2.gz OUFDKZCEPSBWMU-IBGZPJMESA-N 1 3 364.530 2.877 20 0 FFADHO CCOc1ccc(OC[C@@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000524155906 516656912 /nfs/dbraw/zinc/65/69/12/516656912.db2.gz OUFDKZCEPSBWMU-IBGZPJMESA-N 1 3 364.530 2.877 20 0 FFADHO CCOc1ccc(OC[C@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000524155907 516657082 /nfs/dbraw/zinc/65/70/82/516657082.db2.gz OUFDKZCEPSBWMU-LJQANCHMSA-N 1 3 364.530 2.877 20 0 FFADHO CCOc1ccc(OC[C@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000524155907 516657088 /nfs/dbraw/zinc/65/70/88/516657088.db2.gz OUFDKZCEPSBWMU-LJQANCHMSA-N 1 3 364.530 2.877 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000558287834 516679905 /nfs/dbraw/zinc/67/99/05/516679905.db2.gz QMOPMPXNZONXNM-SJLPKXTDSA-N 1 3 360.502 2.718 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000536308339 516714794 /nfs/dbraw/zinc/71/47/94/516714794.db2.gz HCLXMTMIZNIHCN-NJYVYQBISA-N 1 3 374.525 2.691 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000544349406 516717607 /nfs/dbraw/zinc/71/76/07/516717607.db2.gz VTZVKIFTXYSVJM-CBGDNZLLSA-N 1 3 369.513 2.649 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000544349406 516717618 /nfs/dbraw/zinc/71/76/18/516717618.db2.gz VTZVKIFTXYSVJM-CBGDNZLLSA-N 1 3 369.513 2.649 20 0 FFADHO CN1CCO[C@H](CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000513684441 516719255 /nfs/dbraw/zinc/71/92/55/516719255.db2.gz RKJBMYSFZOFFIL-GXRSIYKFSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCO[C@H](CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000513684441 516719266 /nfs/dbraw/zinc/71/92/66/516719266.db2.gz RKJBMYSFZOFFIL-GXRSIYKFSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000513684441 516719274 /nfs/dbraw/zinc/71/92/74/516719274.db2.gz RKJBMYSFZOFFIL-GXRSIYKFSA-N 1 3 357.542 2.597 20 0 FFADHO Cc1c([C@H](C)NCCCC[NH+]2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000531939378 516725454 /nfs/dbraw/zinc/72/54/54/516725454.db2.gz MFULCULWOLPHTQ-SFHVURJKSA-N 1 3 370.545 2.562 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000518733201 516755037 /nfs/dbraw/zinc/75/50/37/516755037.db2.gz YKGRSLRSJQSGQH-BRWVUGGUSA-N 1 3 364.559 2.900 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1CCCCC1 ZINC000524695763 516791589 /nfs/dbraw/zinc/79/15/89/516791589.db2.gz ZUUHOXSMUUCFMH-IBGZPJMESA-N 1 3 365.562 2.648 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000513904992 516794418 /nfs/dbraw/zinc/79/44/18/516794418.db2.gz DZRWDVIKBUZHFM-UHFFFAOYSA-N 1 3 372.557 2.822 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000548163164 516801156 /nfs/dbraw/zinc/80/11/56/516801156.db2.gz ZSIQVRHWXYOPMC-KSEOMHKRSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000548163164 516801161 /nfs/dbraw/zinc/80/11/61/516801161.db2.gz ZSIQVRHWXYOPMC-KSEOMHKRSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000548163164 516801166 /nfs/dbraw/zinc/80/11/66/516801166.db2.gz ZSIQVRHWXYOPMC-KSEOMHKRSA-N 1 3 359.558 2.843 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc21 ZINC000555168850 516814027 /nfs/dbraw/zinc/81/40/27/516814027.db2.gz ZSXSKMSJFZULIT-LEWJYISDSA-N 1 3 373.541 2.785 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514062981 516846138 /nfs/dbraw/zinc/84/61/38/516846138.db2.gz OWFXYNYXXQBLIE-ACRUOGEOSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000514062981 516846151 /nfs/dbraw/zinc/84/61/51/516846151.db2.gz OWFXYNYXXQBLIE-ACRUOGEOSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000532204607 516857410 /nfs/dbraw/zinc/85/74/10/516857410.db2.gz PYNYANLXTPVZLK-CQSZACIVSA-N 1 3 351.516 2.726 20 0 FFADHO CCOCc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OC ZINC000536675514 516885553 /nfs/dbraw/zinc/88/55/53/516885553.db2.gz SKWHJSVWWOYXQT-UHFFFAOYSA-N 1 3 350.503 2.774 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000514168506 516887021 /nfs/dbraw/zinc/88/70/21/516887021.db2.gz YRJABLIKXSSKNG-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000519178262 516914674 /nfs/dbraw/zinc/91/46/74/516914674.db2.gz FHLWQLLRDQHEES-NHCUHLMSSA-N 1 3 373.516 2.994 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000514601564 516957492 /nfs/dbraw/zinc/95/74/92/516957492.db2.gz UOXPZDGAGPSQCI-UHFFFAOYSA-N 1 3 369.484 2.718 20 0 FFADHO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525438669 517041763 /nfs/dbraw/zinc/04/17/63/517041763.db2.gz KRBYNPPBZJSQBM-SFHVURJKSA-N 1 3 368.953 2.796 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000552048107 517050025 /nfs/dbraw/zinc/05/00/25/517050025.db2.gz HTEXJNQNRMKMJB-RANZSIQMSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000552048107 517050032 /nfs/dbraw/zinc/05/00/32/517050032.db2.gz HTEXJNQNRMKMJB-RANZSIQMSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000552048107 517050042 /nfs/dbraw/zinc/05/00/42/517050042.db2.gz HTEXJNQNRMKMJB-RANZSIQMSA-N 1 3 372.431 2.908 20 0 FFADHO CC1=CCN(CCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000545151647 517073157 /nfs/dbraw/zinc/07/31/57/517073157.db2.gz SJDYCSVLXFOCCP-HXUWFJFHSA-N 1 3 356.514 2.775 20 0 FFADHO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000529359697 517100003 /nfs/dbraw/zinc/10/00/03/517100003.db2.gz MRVQEXGRKAOAPE-RBUKOAKNSA-N 1 3 356.514 2.577 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515234564 517265537 /nfs/dbraw/zinc/26/55/37/517265537.db2.gz JWZWDHJNKYLOET-PKOBYXMFSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515234564 517265546 /nfs/dbraw/zinc/26/55/46/517265546.db2.gz JWZWDHJNKYLOET-PKOBYXMFSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000520200469 517298372 /nfs/dbraw/zinc/29/83/72/517298372.db2.gz VVJHGRFAXPVNRL-UHFFFAOYSA-N 1 3 372.557 2.951 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000520200469 517298383 /nfs/dbraw/zinc/29/83/83/517298383.db2.gz VVJHGRFAXPVNRL-UHFFFAOYSA-N 1 3 372.557 2.951 20 0 FFADHO CCN1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000556234139 517329894 /nfs/dbraw/zinc/32/98/94/517329894.db2.gz VCZIIXQBLMKUDZ-OAQYLSRUSA-N 1 3 371.569 2.989 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000537778475 517339893 /nfs/dbraw/zinc/33/98/93/517339893.db2.gz MJKDHPJATORIGE-PKOBYXMFSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000537778475 517339902 /nfs/dbraw/zinc/33/99/02/517339902.db2.gz MJKDHPJATORIGE-PKOBYXMFSA-N 1 3 373.545 2.812 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)CCC4=O)CC2)CC1 ZINC000515433365 517350673 /nfs/dbraw/zinc/35/06/73/517350673.db2.gz SGNQQLHVDXZUCD-UHFFFAOYSA-N 1 3 369.509 2.950 20 0 FFADHO CC1CCC(N2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)CC2)CC1 ZINC000562769957 517380632 /nfs/dbraw/zinc/38/06/32/517380632.db2.gz RRTAZWJQGMAARC-RMXPPQQLSA-N 1 3 371.529 2.626 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000552818934 517402819 /nfs/dbraw/zinc/40/28/19/517402819.db2.gz NNSDVDDUAWUCJN-UHFFFAOYSA-N 1 3 372.513 2.780 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000545901085 517423385 /nfs/dbraw/zinc/42/33/85/517423385.db2.gz SDGSLCVRMVFJRX-YZGWKJHDSA-N 1 3 358.530 2.536 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000545901085 517423394 /nfs/dbraw/zinc/42/33/94/517423394.db2.gz SDGSLCVRMVFJRX-YZGWKJHDSA-N 1 3 358.530 2.536 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC2([NH+](C)C)CCCC2)o1 ZINC000515804023 517480956 /nfs/dbraw/zinc/48/09/56/517480956.db2.gz DMGNTMNNKSRRSS-UHFFFAOYSA-N 1 3 350.507 2.536 20 0 FFADHO CC(C)COc1ccccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000549365439 517528575 /nfs/dbraw/zinc/52/85/75/517528575.db2.gz BLSHNXHBPVGGGK-UHFFFAOYSA-N 1 3 361.530 2.611 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000538426228 517615620 /nfs/dbraw/zinc/61/56/20/517615620.db2.gz FLMPZDMDPWNTND-GHTZIAJQSA-N 1 3 356.558 2.791 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc3c2CCNC3)cc1 ZINC000516259910 517640820 /nfs/dbraw/zinc/64/08/20/517640820.db2.gz SYVSXDNYXDAHAS-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239238 517648379 /nfs/dbraw/zinc/64/83/79/517648379.db2.gz FTECSTAUDACKFE-NRFANRHFSA-N 1 3 373.541 2.663 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000538686994 517724766 /nfs/dbraw/zinc/72/47/66/517724766.db2.gz JUAVXEHANXSQEH-AZUAARDMSA-N 1 3 358.530 2.949 20 0 FFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000556952604 517770010 /nfs/dbraw/zinc/77/00/10/517770010.db2.gz CUTCUUYZDBNFBM-NQIIRXRSSA-N 1 3 365.456 2.889 20 0 FFADHO C[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000557137737 517874427 /nfs/dbraw/zinc/87/44/27/517874427.db2.gz FCUSMAXHDNGNMO-MSOLQXFVSA-N 1 3 358.530 2.860 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccc(I)cc2)C1 ZINC000563423797 517894967 /nfs/dbraw/zinc/89/49/67/517894967.db2.gz JPTJCOYCOJQHQN-CHWSQXEVSA-N 1 3 360.239 2.530 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC1CC[NH+](C2CC2)CC1 ZINC000530664519 517910203 /nfs/dbraw/zinc/91/02/03/517910203.db2.gz XQFZPPCEBWNYER-UHFFFAOYSA-N 1 3 358.438 2.944 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000557193161 517911660 /nfs/dbraw/zinc/91/16/60/517911660.db2.gz FNJJACUOZVAOIF-PXNSSMCTSA-N 1 3 356.514 2.506 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563507176 517945216 /nfs/dbraw/zinc/94/52/16/517945216.db2.gz KPIYUSIWCHYWGI-OWCLPIDISA-N 1 3 360.502 2.657 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563507176 517945221 /nfs/dbraw/zinc/94/52/21/517945221.db2.gz KPIYUSIWCHYWGI-OWCLPIDISA-N 1 3 360.502 2.657 20 0 FFADHO Cc1cc([C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CC2)ccc1F ZINC000539200535 517948755 /nfs/dbraw/zinc/94/87/55/517948755.db2.gz OJKSXTQZLPJREY-NRFANRHFSA-N 1 3 363.521 2.565 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000563529314 517964759 /nfs/dbraw/zinc/96/47/59/517964759.db2.gz YTRCLFXTHMLQAM-JYAXBFRTSA-N 1 3 370.541 2.667 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522204975 518032142 /nfs/dbraw/zinc/03/21/42/518032142.db2.gz YOQRTEDKUZKQSN-VQTJNVASSA-N 1 3 358.530 2.674 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522204975 518032152 /nfs/dbraw/zinc/03/21/52/518032152.db2.gz YOQRTEDKUZKQSN-VQTJNVASSA-N 1 3 358.530 2.674 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3N(C)C)CC2)CC1 ZINC000557511771 518046782 /nfs/dbraw/zinc/04/67/82/518046782.db2.gz AQTRPRCFZNIXIZ-UHFFFAOYSA-N 1 3 358.530 2.887 20 0 FFADHO CCOc1cccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000557535485 518060227 /nfs/dbraw/zinc/06/02/27/518060227.db2.gz IIYHXEYSCPLZDY-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO N[C@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000517233990 518080771 /nfs/dbraw/zinc/08/07/71/518080771.db2.gz MWHPBQBSMKWCCE-VXKWHMMOSA-N 1 3 365.521 2.627 20 0 FFADHO N[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000517233990 518080778 /nfs/dbraw/zinc/08/07/78/518080778.db2.gz MWHPBQBSMKWCCE-VXKWHMMOSA-N 1 3 365.521 2.627 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000535007550 518118334 /nfs/dbraw/zinc/11/83/34/518118334.db2.gz KXGMLMFYOBTNTQ-LWYYNNOASA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000535007550 518118338 /nfs/dbraw/zinc/11/83/38/518118338.db2.gz KXGMLMFYOBTNTQ-LWYYNNOASA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@H]([C@H](C)O)C2)C1 ZINC000535007550 518118342 /nfs/dbraw/zinc/11/83/42/518118342.db2.gz KXGMLMFYOBTNTQ-LWYYNNOASA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@H]([C@H](C)O)C2)C1 ZINC000535007550 518118345 /nfs/dbraw/zinc/11/83/45/518118345.db2.gz KXGMLMFYOBTNTQ-LWYYNNOASA-N 1 3 360.542 2.872 20 0 FFADHO COc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1F ZINC000539645755 518130157 /nfs/dbraw/zinc/13/01/57/518130157.db2.gz QJEOFTSYZSTWKZ-PBHICJAKSA-N 1 3 353.482 2.577 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000531118640 518143366 /nfs/dbraw/zinc/14/33/66/518143366.db2.gz ZATGJAJTWAXZMN-INIZCTEOSA-N 1 3 359.436 2.674 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000535261903 518171196 /nfs/dbraw/zinc/17/11/96/518171196.db2.gz QTUWFPMYJZZQHF-PMACEKPBSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000535261903 518171198 /nfs/dbraw/zinc/17/11/98/518171198.db2.gz QTUWFPMYJZZQHF-PMACEKPBSA-N 1 3 360.546 2.579 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)C1 ZINC000566843720 518228506 /nfs/dbraw/zinc/22/85/06/518228506.db2.gz RXKLMAOMLIWFOC-UYAOXDASSA-N 1 3 358.461 2.730 20 0 FFADHO O=C(CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)Nc1cccc(F)c1 ZINC000578499716 518239756 /nfs/dbraw/zinc/23/97/56/518239756.db2.gz XKOJVNMRNRBXGS-RTBURBONSA-N 1 3 363.477 2.512 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+]CC3(N)CCC3)ccc2c1 ZINC000584232586 518239872 /nfs/dbraw/zinc/23/98/72/518239872.db2.gz ZVPYEHMKAWLSDX-HNNXBMFYSA-N 1 3 355.482 2.666 20 0 FFADHO O=C(CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCCC1 ZINC000578518586 518248086 /nfs/dbraw/zinc/24/80/86/518248086.db2.gz XZVQMUQQLFIFFH-GHTZIAJQSA-N 1 3 357.498 2.625 20 0 FFADHO CN(Cc1cncc(C[N@H+](C)CC2CCOCC2)c1)CC1CCOCC1 ZINC000566955361 518281469 /nfs/dbraw/zinc/28/14/69/518281469.db2.gz XUJKWRWHFMEKGX-UHFFFAOYSA-N 1 3 361.530 2.798 20 0 FFADHO CN(Cc1cncc(C[N@@H+](C)CC2CCOCC2)c1)CC1CCOCC1 ZINC000566955361 518281472 /nfs/dbraw/zinc/28/14/72/518281472.db2.gz XUJKWRWHFMEKGX-UHFFFAOYSA-N 1 3 361.530 2.798 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@]3(F)c3ccccc3)CC2)CC1 ZINC000564099546 518306091 /nfs/dbraw/zinc/30/60/91/518306091.db2.gz LHWSMQRUBKMNDL-IFMALSPDSA-N 1 3 373.516 2.936 20 0 FFADHO COc1cc2c(cc1CN1CCC([C@@H]3OCCC[C@@H]3[NH3+])CC1)O[C@H](C)C2 ZINC000572702389 518320235 /nfs/dbraw/zinc/32/02/35/518320235.db2.gz CSDJJBJSCGMTDG-IBZMOEQTSA-N 1 3 360.498 2.737 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000567039561 518322907 /nfs/dbraw/zinc/32/29/07/518322907.db2.gz XJYZGIRQPFKWMP-NHCUHLMSSA-N 1 3 372.557 2.930 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000567039561 518322915 /nfs/dbraw/zinc/32/29/15/518322915.db2.gz XJYZGIRQPFKWMP-NHCUHLMSSA-N 1 3 372.557 2.930 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccco1 ZINC000575920719 518343611 /nfs/dbraw/zinc/34/36/11/518343611.db2.gz LGKYFLDAEFHFSL-IPELMVKDSA-N 1 3 370.497 2.977 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccco1 ZINC000575920721 518343760 /nfs/dbraw/zinc/34/37/60/518343760.db2.gz LGKYFLDAEFHFSL-SNRMKQJTSA-N 1 3 370.497 2.977 20 0 FFADHO C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160576 518381455 /nfs/dbraw/zinc/38/14/55/518381455.db2.gz OUJIVCNRCWGEIB-YZVOILCLSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@H](OC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160576 518381462 /nfs/dbraw/zinc/38/14/62/518381462.db2.gz OUJIVCNRCWGEIB-YZVOILCLSA-N 1 3 352.906 2.852 20 0 FFADHO C[C@H](OC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000567160576 518381466 /nfs/dbraw/zinc/38/14/66/518381466.db2.gz OUJIVCNRCWGEIB-YZVOILCLSA-N 1 3 352.906 2.852 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000584523863 518381502 /nfs/dbraw/zinc/38/15/02/518381502.db2.gz DONXICDOAHCPDD-BMGDILEWSA-N 1 3 365.905 2.724 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000567171097 518388994 /nfs/dbraw/zinc/38/89/94/518388994.db2.gz VPELMMVSMCPDQK-UNMCSNQZSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000567171097 518388998 /nfs/dbraw/zinc/38/89/98/518388998.db2.gz VPELMMVSMCPDQK-UNMCSNQZSA-N 1 3 372.557 2.928 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000584578011 518405951 /nfs/dbraw/zinc/40/59/51/518405951.db2.gz JMVOVQUHNZNZPF-QZTJIDSGSA-N 1 3 372.513 2.625 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)Cc1cccc(Cl)c1 ZINC000584715061 518444115 /nfs/dbraw/zinc/44/41/15/518444115.db2.gz CZOAQAQBKSCAKP-LJQANCHMSA-N 1 3 362.901 2.974 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc3c2CCNC3)c1 ZINC000564429621 518449600 /nfs/dbraw/zinc/44/96/00/518449600.db2.gz LJGLKBZQVGZGTH-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000576158290 518455983 /nfs/dbraw/zinc/45/59/83/518455983.db2.gz QUGBITRMWBGPKD-BGYRXZFFSA-N 1 3 355.526 2.663 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000576159657 518457186 /nfs/dbraw/zinc/45/71/86/518457186.db2.gz ZCKBHRLNQQUJPG-RTWAWAEBSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]1 ZINC000578980245 518465838 /nfs/dbraw/zinc/46/58/38/518465838.db2.gz FABNYMCXWLPWSA-DLTWYDFYSA-N 1 3 350.532 2.571 20 0 FFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000567383297 518497833 /nfs/dbraw/zinc/49/78/33/518497833.db2.gz XPTQDGSZYODLRW-RDJZCZTQSA-N 1 3 367.484 2.881 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CC)CCOCC3)CC2)CC1 ZINC000573107479 518511478 /nfs/dbraw/zinc/51/14/78/518511478.db2.gz WFUCAECVRUWMFQ-UHFFFAOYSA-N 1 3 365.562 2.506 20 0 FFADHO CN(CCCN(C)[C@@H](C(=O)N1CCCCC1)c1ccccc1)CC[NH+](C)C ZINC000581995681 518537576 /nfs/dbraw/zinc/53/75/76/518537576.db2.gz VNTGCYQRKSYAEZ-OAQYLSRUSA-N 1 3 374.573 2.556 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c2cccs2)CC1 ZINC000564644036 518541486 /nfs/dbraw/zinc/54/14/86/518541486.db2.gz LEQIZTYOXIZIRM-YESZJQIVSA-N 1 3 364.559 2.818 20 0 FFADHO Fc1ccc([C@H](NC2CCC([NH+]3CCNCC3)CC2)c2cnccn2)cc1 ZINC000573197830 518550048 /nfs/dbraw/zinc/55/00/48/518550048.db2.gz FXOZOIXOEPTXMI-GRERDSQWSA-N 1 3 369.488 2.511 20 0 FFADHO Fc1ccc([C@H](NC2CCC(N3CC[NH2+]CC3)CC2)c2cnccn2)cc1 ZINC000573197830 518550054 /nfs/dbraw/zinc/55/00/54/518550054.db2.gz FXOZOIXOEPTXMI-GRERDSQWSA-N 1 3 369.488 2.511 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000573204069 518553875 /nfs/dbraw/zinc/55/38/75/518553875.db2.gz GFYDGEVPPUOVKC-PFRQMTDMSA-N 1 3 358.530 2.621 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000573204069 518553883 /nfs/dbraw/zinc/55/38/83/518553883.db2.gz GFYDGEVPPUOVKC-PFRQMTDMSA-N 1 3 358.530 2.621 20 0 FFADHO C[C@H](NC1CC1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000567498474 518557036 /nfs/dbraw/zinc/55/70/36/518557036.db2.gz ZAHQEDFGPDXAPT-SFHVURJKSA-N 1 3 357.542 2.978 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC3CC[NH+](CC)CC3)c2)CC1 ZINC000564696459 518568705 /nfs/dbraw/zinc/56/87/05/518568705.db2.gz HNOHUJZITMCJSP-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)cc1 ZINC000576521097 518632563 /nfs/dbraw/zinc/63/25/63/518632563.db2.gz VHQLHLQHQKUDCT-HXUWFJFHSA-N 1 3 373.541 2.802 20 0 FFADHO NCc1cccnc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570499935 518637143 /nfs/dbraw/zinc/63/71/43/518637143.db2.gz UXVBSUSBJURLAC-RTBURBONSA-N 1 3 365.481 2.526 20 0 FFADHO NCc1cccnc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570499935 518637148 /nfs/dbraw/zinc/63/71/48/518637148.db2.gz UXVBSUSBJURLAC-RTBURBONSA-N 1 3 365.481 2.526 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])c2)CC1 ZINC000570543523 518659543 /nfs/dbraw/zinc/65/95/43/518659543.db2.gz PZCANHDMAPPODD-VQIMIIECSA-N 1 3 359.518 2.562 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000567715024 518670993 /nfs/dbraw/zinc/67/09/93/518670993.db2.gz FJXSGRMGRAVJQE-JZXOWHBKSA-N 1 3 364.559 2.820 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC000570566723 518671411 /nfs/dbraw/zinc/67/14/11/518671411.db2.gz HDNXVUOZMDJTBG-ICSRJNTNSA-N 1 3 358.530 2.670 20 0 FFADHO CCCN[C@@H](C)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000564936291 518703530 /nfs/dbraw/zinc/70/35/30/518703530.db2.gz ITJVWASHFWDJFM-INIZCTEOSA-N 1 3 360.502 2.828 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000567785004 518709988 /nfs/dbraw/zinc/70/99/88/518709988.db2.gz NXDQURMLPLZFTP-TZIWHRDSSA-N 1 3 373.541 2.931 20 0 FFADHO C[C@]1(CNC(=O)N2CCC(CC[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000582365332 518719775 /nfs/dbraw/zinc/71/97/75/518719775.db2.gz QTHUCSACICUDJA-OAQYLSRUSA-N 1 3 358.530 2.812 20 0 FFADHO O=C(CN1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1 ZINC000582408077 518738759 /nfs/dbraw/zinc/73/87/59/518738759.db2.gz ULNVCCABVADWTG-PCCBWWKXSA-N 1 3 370.541 2.600 20 0 FFADHO C[C@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000567842690 518741223 /nfs/dbraw/zinc/74/12/23/518741223.db2.gz XNMVIFRBHMPHKJ-WBCYEJBOSA-N 1 3 355.457 2.805 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)c2ccccc2)CC1 ZINC000576807334 518772207 /nfs/dbraw/zinc/77/22/07/518772207.db2.gz HBISKQYYJOERGM-FPOVZHCZSA-N 1 3 358.530 2.840 20 0 FFADHO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)Cc1ccncc1 ZINC000565090124 518781160 /nfs/dbraw/zinc/78/11/60/518781160.db2.gz ZVCZEBTXRXHOOJ-UHFFFAOYSA-N 1 3 360.546 2.874 20 0 FFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000576885775 518811845 /nfs/dbraw/zinc/81/18/45/518811845.db2.gz YNCGJHCQSGHBEB-STEAMIEHSA-N 1 3 363.933 2.880 20 0 FFADHO COCC[NH+]1CCC(N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)CC1 ZINC000582573372 518817121 /nfs/dbraw/zinc/81/71/21/518817121.db2.gz LKOJQWLQGCSRHK-RTWAWAEBSA-N 1 3 354.498 2.812 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000573752409 518818013 /nfs/dbraw/zinc/81/80/13/518818013.db2.gz GYJFMYLDWNHNNC-SXLOBPIMSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000573752409 518818016 /nfs/dbraw/zinc/81/80/16/518818016.db2.gz GYJFMYLDWNHNNC-SXLOBPIMSA-N 1 3 358.530 2.679 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC(CC[NH3+])CC2)N2CCCC2)cc1 ZINC000579843268 518884237 /nfs/dbraw/zinc/88/42/37/518884237.db2.gz ZJBRXQKQCBEFGT-FQEVSTJZSA-N 1 3 358.530 2.902 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000589210082 518950776 /nfs/dbraw/zinc/95/07/76/518950776.db2.gz SSVMLSSKBGLRIN-LEWJYISDSA-N 1 3 370.541 2.703 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000589217071 518954913 /nfs/dbraw/zinc/95/49/13/518954913.db2.gz ADTVUBIKNUXRAH-IAGOWNOFSA-N 1 3 366.575 2.990 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000589217071 518954921 /nfs/dbraw/zinc/95/49/21/518954921.db2.gz ADTVUBIKNUXRAH-IAGOWNOFSA-N 1 3 366.575 2.990 20 0 FFADHO CN(C)C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000582914373 518983698 /nfs/dbraw/zinc/98/36/98/518983698.db2.gz GENOFPWOUMPYIX-HXUWFJFHSA-N 1 3 357.473 2.963 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000571387747 519071841 /nfs/dbraw/zinc/07/18/41/519071841.db2.gz AAACPCARACVMQW-CUWPLCDZSA-N 1 3 358.530 2.810 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1 ZINC000589880212 519097819 /nfs/dbraw/zinc/09/78/19/519097819.db2.gz KVOJAXFZUMFBGI-SFHVURJKSA-N 1 3 351.922 2.757 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1 ZINC000589880212 519097827 /nfs/dbraw/zinc/09/78/27/519097827.db2.gz KVOJAXFZUMFBGI-SFHVURJKSA-N 1 3 351.922 2.757 20 0 FFADHO CN1CC[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000568608512 519126015 /nfs/dbraw/zinc/12/60/15/519126015.db2.gz CCPACQGBFSMXKW-WOZUAGRISA-N 1 3 364.493 2.568 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)N(C)C)cc1 ZINC000568608437 519126798 /nfs/dbraw/zinc/12/67/98/519126798.db2.gz SWTDZGAINQXHLV-HBMCJLEFSA-N 1 3 366.509 2.653 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000568730528 519185986 /nfs/dbraw/zinc/18/59/86/519185986.db2.gz BMZFUMGJEFZGFN-JPLJXNOCSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C[C@@H]1C[NH3+] ZINC000568730380 519186554 /nfs/dbraw/zinc/18/65/54/519186554.db2.gz JUBQZMAFHJOAPV-IKGGRYGDSA-N 1 3 364.559 2.586 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000577745696 519234902 /nfs/dbraw/zinc/23/49/02/519234902.db2.gz RZCFYBRMUCHOEC-AZUAARDMSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000577745696 519234913 /nfs/dbraw/zinc/23/49/13/519234913.db2.gz RZCFYBRMUCHOEC-AZUAARDMSA-N 1 3 355.526 2.841 20 0 FFADHO O=C(CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)NC1CCCCC1 ZINC000583435017 519247216 /nfs/dbraw/zinc/24/72/16/519247216.db2.gz ZYVIDIUMSFISJY-RXVVDRJESA-N 1 3 357.498 2.671 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000566039196 519259703 /nfs/dbraw/zinc/25/97/03/519259703.db2.gz DKKLJQXKORFFQL-UHFFFAOYSA-N 1 3 362.518 2.871 20 0 FFADHO Cc1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)n(C2CCN(C)CC2)n1 ZINC000568960170 519304684 /nfs/dbraw/zinc/30/46/84/519304684.db2.gz DOJSCKCLELLCEH-UHFFFAOYSA-N 1 3 374.533 2.597 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccsc1 ZINC000580741375 519332096 /nfs/dbraw/zinc/33/20/96/519332096.db2.gz UADZEHMGIFQNKL-GOSISDBHSA-N 1 3 361.559 2.986 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccsc1 ZINC000580741375 519332100 /nfs/dbraw/zinc/33/21/00/519332100.db2.gz UADZEHMGIFQNKL-GOSISDBHSA-N 1 3 361.559 2.986 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571921497 519347888 /nfs/dbraw/zinc/34/78/88/519347888.db2.gz WHQPHGWDZZYIMC-KFWWJZLASA-N 1 3 367.440 2.937 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000569093650 519374267 /nfs/dbraw/zinc/37/42/67/519374267.db2.gz JCVOAOPOZILUCO-OAQYLSRUSA-N 1 3 370.541 2.970 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)ccc3OC)CC2)CC1 ZINC000578024865 519378794 /nfs/dbraw/zinc/37/87/94/519378794.db2.gz HNSOUTVQFYQPKQ-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO Cc1ccc(NC(=O)NCc2ccc(C[NH3+])cc2)c(OCCN(C)C)c1 ZINC000566227975 519380239 /nfs/dbraw/zinc/38/02/39/519380239.db2.gz RYCANCWJRRBFBO-UHFFFAOYSA-N 1 3 356.470 2.716 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000580848481 519391024 /nfs/dbraw/zinc/39/10/24/519391024.db2.gz ZXRIMGHDXRMMGI-LSDHHAIUSA-N 1 3 370.335 2.709 20 0 FFADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000569141798 519398474 /nfs/dbraw/zinc/39/84/74/519398474.db2.gz KDYDZCHWIBNCGL-OAQYLSRUSA-N 1 3 372.557 2.775 20 0 FFADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000569141798 519398477 /nfs/dbraw/zinc/39/84/77/519398477.db2.gz KDYDZCHWIBNCGL-OAQYLSRUSA-N 1 3 372.557 2.775 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000572069445 519427227 /nfs/dbraw/zinc/42/72/27/519427227.db2.gz KCZJRCFQMNJWAI-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000578129824 519433859 /nfs/dbraw/zinc/43/38/59/519433859.db2.gz FAOZGBLEQZOHRH-SJORKVTESA-N 1 3 353.576 2.762 20 0 FFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000578129823 519434216 /nfs/dbraw/zinc/43/42/16/519434216.db2.gz FAOZGBLEQZOHRH-IRXDYDNUSA-N 1 3 353.576 2.762 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccsc1 ZINC000578171231 519455842 /nfs/dbraw/zinc/45/58/42/519455842.db2.gz RWZUFDVEBYCYGT-HKUYNNGSSA-N 1 3 364.559 2.916 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000583866912 519474922 /nfs/dbraw/zinc/47/49/22/519474922.db2.gz LOUAIFMCZUNCJY-LJQANCHMSA-N 1 3 354.922 2.928 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000569335746 519499384 /nfs/dbraw/zinc/49/93/84/519499384.db2.gz QKMDEXWNQXICSX-UIFIKXQLSA-N 1 3 370.541 2.907 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000569335746 519499392 /nfs/dbraw/zinc/49/93/92/519499392.db2.gz QKMDEXWNQXICSX-UIFIKXQLSA-N 1 3 370.541 2.907 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572226105 519504885 /nfs/dbraw/zinc/50/48/85/519504885.db2.gz ADEKEHHOGJWZRL-XUVXKRRUSA-N 1 3 356.514 2.511 20 0 FFADHO CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@H]1n1cccn1 ZINC000575201232 519551576 /nfs/dbraw/zinc/55/15/76/519551576.db2.gz ZSOYSANZLUNNLM-VRXWPRPYSA-N 1 3 372.513 2.893 20 0 FFADHO C[C@@H]1C[C@H](CCN[C@H](Cc2ccccc2)C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000575219782 519559400 /nfs/dbraw/zinc/55/94/00/519559400.db2.gz KGEAHDRLUZFQPT-BVYCBKJFSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@H](CCN[C@H](Cc2ccccc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000575219782 519559409 /nfs/dbraw/zinc/55/94/09/519559409.db2.gz KGEAHDRLUZFQPT-BVYCBKJFSA-N 1 3 365.521 2.973 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)N(C)C)cc1 ZINC000572345340 519566528 /nfs/dbraw/zinc/56/65/28/519566528.db2.gz CZOKBYIHDNVZHZ-YLJYHZDGSA-N 1 3 367.497 2.630 20 0 FFADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000575235014 519566636 /nfs/dbraw/zinc/56/66/36/519566636.db2.gz ZKRNAHJZCASUJR-LJQANCHMSA-N 1 3 358.530 2.728 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000584112041 519596038 /nfs/dbraw/zinc/59/60/38/519596038.db2.gz JPZIBPGKEVTUPA-UHFFFAOYSA-N 1 3 358.530 2.991 20 0 FFADHO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCCN3C3CCOCC3)cccc21 ZINC000566658239 519598287 /nfs/dbraw/zinc/59/82/87/519598287.db2.gz ALQFEGQICZGVAX-RBUKOAKNSA-N 1 3 373.497 2.654 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000608656368 520068851 /nfs/dbraw/zinc/06/88/51/520068851.db2.gz MRUFGQROKDYERE-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000608656368 520068861 /nfs/dbraw/zinc/06/88/61/520068861.db2.gz MRUFGQROKDYERE-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000608685704 520080931 /nfs/dbraw/zinc/08/09/31/520080931.db2.gz WUNGGKSIWIQZEO-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608685704 520080938 /nfs/dbraw/zinc/08/09/38/520080938.db2.gz WUNGGKSIWIQZEO-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000608705533 520090002 /nfs/dbraw/zinc/09/00/02/520090002.db2.gz GTXKIPMLHJDVDL-URVUXULASA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000608705533 520090006 /nfs/dbraw/zinc/09/00/06/520090006.db2.gz GTXKIPMLHJDVDL-URVUXULASA-N 1 3 372.557 2.774 20 0 FFADHO COc1ccc(COCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000608750913 520112389 /nfs/dbraw/zinc/11/23/89/520112389.db2.gz KMMZVSOOXVBKTH-UHFFFAOYSA-N 1 3 362.514 2.789 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000612963022 520242333 /nfs/dbraw/zinc/24/23/33/520242333.db2.gz LJZPNHLBWZQOMT-CVEARBPZSA-N 1 3 350.532 2.572 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612987791 520257759 /nfs/dbraw/zinc/25/77/59/520257759.db2.gz NSKNPVWUPQURHL-UXHICEINSA-N 1 3 372.557 2.929 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000604117403 520454621 /nfs/dbraw/zinc/45/46/21/520454621.db2.gz XJYNHZRLQSIOAP-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604157824 520464126 /nfs/dbraw/zinc/46/41/26/520464126.db2.gz ILHXWNNSLFYDRA-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000604171500 520468568 /nfs/dbraw/zinc/46/85/68/520468568.db2.gz QJPFZYJUFQVDPK-RDJZCZTQSA-N 1 3 350.532 2.667 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000604171500 520468576 /nfs/dbraw/zinc/46/85/76/520468576.db2.gz QJPFZYJUFQVDPK-RDJZCZTQSA-N 1 3 350.532 2.667 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604206318 520489081 /nfs/dbraw/zinc/48/90/81/520489081.db2.gz PHTDZMCOWFQAND-HXUWFJFHSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505981 520540414 /nfs/dbraw/zinc/54/04/14/520540414.db2.gz XCDIIMNOBDJLPG-UONOGXRCSA-N 1 3 373.900 2.635 20 0 FFADHO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505981 520540417 /nfs/dbraw/zinc/54/04/17/520540417.db2.gz XCDIIMNOBDJLPG-UONOGXRCSA-N 1 3 373.900 2.635 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000617505421 520542435 /nfs/dbraw/zinc/54/24/35/520542435.db2.gz BQJNKRXOTQNCKV-HNNXBMFYSA-N 1 3 360.477 2.823 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000617505421 520542443 /nfs/dbraw/zinc/54/24/43/520542443.db2.gz BQJNKRXOTQNCKV-HNNXBMFYSA-N 1 3 360.477 2.823 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000617506234 520542650 /nfs/dbraw/zinc/54/26/50/520542650.db2.gz GNBKQJMPZAGKMB-PXNSSMCTSA-N 1 3 361.530 2.582 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000617506234 520542658 /nfs/dbraw/zinc/54/26/58/520542658.db2.gz GNBKQJMPZAGKMB-PXNSSMCTSA-N 1 3 361.530 2.582 20 0 FFADHO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1C1CCCCC1 ZINC000617506314 520543224 /nfs/dbraw/zinc/54/32/24/520543224.db2.gz KCLJGFNSGNBTJR-INIZCTEOSA-N 1 3 363.550 2.699 20 0 FFADHO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1C1CCCCC1 ZINC000617506314 520543227 /nfs/dbraw/zinc/54/32/27/520543227.db2.gz KCLJGFNSGNBTJR-INIZCTEOSA-N 1 3 363.550 2.699 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000617506740 520543803 /nfs/dbraw/zinc/54/38/03/520543803.db2.gz XRZZDAUBEQQBND-PXNSSMCTSA-N 1 3 361.530 2.582 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000617506740 520543810 /nfs/dbraw/zinc/54/38/10/520543810.db2.gz XRZZDAUBEQQBND-PXNSSMCTSA-N 1 3 361.530 2.582 20 0 FFADHO Cc1nc2ccccc2c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507208 520546367 /nfs/dbraw/zinc/54/63/67/520546367.db2.gz MIIGGRHBPRBAJM-HNNXBMFYSA-N 1 3 356.514 2.853 20 0 FFADHO Cc1nc2ccccc2c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507208 520546373 /nfs/dbraw/zinc/54/63/73/520546373.db2.gz MIIGGRHBPRBAJM-HNNXBMFYSA-N 1 3 356.514 2.853 20 0 FFADHO C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000604420550 520558030 /nfs/dbraw/zinc/55/80/30/520558030.db2.gz QLPOMWSFURULIG-KRWDZBQOSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000604825397 520686568 /nfs/dbraw/zinc/68/65/68/520686568.db2.gz IEDHUQQJZNEOSQ-ROUUACIJSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000601254086 520709365 /nfs/dbraw/zinc/70/93/65/520709365.db2.gz IMUDEBLNNRXBKH-FQEVSTJZSA-N 1 3 372.557 2.995 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000617978237 520816039 /nfs/dbraw/zinc/81/60/39/520816039.db2.gz VTDIVMKNIIOIAS-UHFFFAOYSA-N 1 3 366.509 2.785 20 0 FFADHO C[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000617978049 520816381 /nfs/dbraw/zinc/81/63/81/520816381.db2.gz OEHZKQHDDUNZSU-KSZLIROESA-N 1 3 358.530 2.671 20 0 FFADHO C[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617978049 520816384 /nfs/dbraw/zinc/81/63/84/520816384.db2.gz OEHZKQHDDUNZSU-KSZLIROESA-N 1 3 358.530 2.671 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598965796 520947078 /nfs/dbraw/zinc/94/70/78/520947078.db2.gz QPWKIPBIHWNTNB-UHFFFAOYSA-N 1 3 367.559 2.819 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000605879662 520958962 /nfs/dbraw/zinc/95/89/62/520958962.db2.gz KNLALQQYMAGVDC-OAQYLSRUSA-N 1 3 370.541 2.697 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000605879662 520958968 /nfs/dbraw/zinc/95/89/68/520958968.db2.gz KNLALQQYMAGVDC-OAQYLSRUSA-N 1 3 370.541 2.697 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601973626 521048427 /nfs/dbraw/zinc/04/84/27/521048427.db2.gz RXKBECIKDIFIMK-WMLDXEAASA-N 1 3 361.486 2.558 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606639261 521117106 /nfs/dbraw/zinc/11/71/06/521117106.db2.gz XCFSMSIBFPYOEW-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000606704417 521143898 /nfs/dbraw/zinc/14/38/98/521143898.db2.gz ZUHGAROPNJPNJK-HOJAQTOUSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000606704417 521143904 /nfs/dbraw/zinc/14/39/04/521143904.db2.gz ZUHGAROPNJPNJK-HOJAQTOUSA-N 1 3 362.562 2.767 20 0 FFADHO COC(=O)c1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)s1 ZINC000593736082 521182826 /nfs/dbraw/zinc/18/28/26/521182826.db2.gz FOUZCOCXMCPICC-IMJJTQAJSA-N 1 3 352.500 2.561 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1 ZINC000615260446 521336386 /nfs/dbraw/zinc/33/63/86/521336386.db2.gz AGUGRZLBCKLXTO-NHCUHLMSSA-N 1 3 373.541 2.854 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1 ZINC000615260446 521336390 /nfs/dbraw/zinc/33/63/90/521336390.db2.gz AGUGRZLBCKLXTO-NHCUHLMSSA-N 1 3 373.541 2.854 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000594105719 521406342 /nfs/dbraw/zinc/40/63/42/521406342.db2.gz KMHAEXQYOFVOCX-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000594105719 521406350 /nfs/dbraw/zinc/40/63/50/521406350.db2.gz KMHAEXQYOFVOCX-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](C(=O)N(C)[C@@H]1CCCN(C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607687165 521430114 /nfs/dbraw/zinc/43/01/14/521430114.db2.gz MOALDDUQBALOGW-WIYYLYMNSA-N 1 3 357.542 2.882 20 0 FFADHO CN(CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000594293651 521542149 /nfs/dbraw/zinc/54/21/49/521542149.db2.gz UFEPVVDNXDTNHH-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000635004156 521861069 /nfs/dbraw/zinc/86/10/69/521861069.db2.gz HBCUSNKNHXSKNP-NOLJZWGESA-N 1 3 373.950 2.806 20 0 FFADHO CN1CCO[C@@H]([C@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000635006898 521865017 /nfs/dbraw/zinc/86/50/17/521865017.db2.gz UKSWZRLHNUIEFB-UTRMSSBJSA-N 1 3 351.922 2.819 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635011599 521866706 /nfs/dbraw/zinc/86/67/06/521866706.db2.gz NZDBKWWDJRFHGB-MJGOQNOKSA-N 1 3 357.502 2.786 20 0 FFADHO CC[N@H+](CCc1nnnn1-c1ccccc1)Cc1ccc(CN(C)C)cc1 ZINC000626062393 521901837 /nfs/dbraw/zinc/90/18/37/521901837.db2.gz QPMNDVYIQPXTPV-UHFFFAOYSA-N 1 3 364.497 2.789 20 0 FFADHO CC[N@@H+](CCc1nnnn1-c1ccccc1)Cc1ccc(CN(C)C)cc1 ZINC000626062393 521901846 /nfs/dbraw/zinc/90/18/46/521901846.db2.gz QPMNDVYIQPXTPV-UHFFFAOYSA-N 1 3 364.497 2.789 20 0 FFADHO CCN(CCc1nnnn1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062393 521901851 /nfs/dbraw/zinc/90/18/51/521901851.db2.gz QPMNDVYIQPXTPV-UHFFFAOYSA-N 1 3 364.497 2.789 20 0 FFADHO CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000626286082 522075551 /nfs/dbraw/zinc/07/55/51/522075551.db2.gz OFMUKJIMNHETEU-MLNNCEHLSA-N 1 3 363.505 2.893 20 0 FFADHO CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000626286082 522075557 /nfs/dbraw/zinc/07/55/57/522075557.db2.gz OFMUKJIMNHETEU-MLNNCEHLSA-N 1 3 363.505 2.893 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000620817108 522467071 /nfs/dbraw/zinc/46/70/71/522467071.db2.gz MWNGLSQSGZBNDO-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000620817108 522467081 /nfs/dbraw/zinc/46/70/81/522467081.db2.gz MWNGLSQSGZBNDO-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000620825708 522473129 /nfs/dbraw/zinc/47/31/29/522473129.db2.gz RLGZETYJOMOWDQ-PZJWPPBQSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)C1CC[NH+](C)CC1 ZINC000624166593 522518418 /nfs/dbraw/zinc/51/84/18/522518418.db2.gz FYWOIXFZBZNRKD-BLLLJJGKSA-N 1 3 353.869 2.904 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000633092767 522523850 /nfs/dbraw/zinc/52/38/50/522523850.db2.gz LVESQNBHAIHPIH-JYBIWHBTSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000633092767 522523854 /nfs/dbraw/zinc/52/38/54/522523854.db2.gz LVESQNBHAIHPIH-JYBIWHBTSA-N 1 3 358.530 2.536 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000626922004 522531803 /nfs/dbraw/zinc/53/18/03/522531803.db2.gz MGTIEMMUEREXSJ-NRSPTQNISA-N 1 3 358.530 2.711 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000621662049 523004635 /nfs/dbraw/zinc/00/46/35/523004635.db2.gz ISCHNAPNDSAULX-XLIONFOSSA-N 1 3 359.514 2.728 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2ccccc21 ZINC000621753566 523058066 /nfs/dbraw/zinc/05/80/66/523058066.db2.gz QQBXPVIBNOKGIP-XLIONFOSSA-N 1 3 357.498 2.575 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637015098 523366271 /nfs/dbraw/zinc/36/62/71/523366271.db2.gz LLMGQQFGCGXIAL-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033321 523377464 /nfs/dbraw/zinc/37/74/64/523377464.db2.gz JKHIZESHCOTMOK-ZWOKBUDYSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637033321 523377472 /nfs/dbraw/zinc/37/74/72/523377472.db2.gz JKHIZESHCOTMOK-ZWOKBUDYSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@]1(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCCS1 ZINC000628233529 523432147 /nfs/dbraw/zinc/43/21/47/523432147.db2.gz IGVZJCCDNXEYRP-HXUWFJFHSA-N 1 3 361.555 2.888 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(Cc2ccncc2)C[C@H]2CCCN2CC)CC[N@@H+]1C ZINC000631202803 523454819 /nfs/dbraw/zinc/45/48/19/523454819.db2.gz DMUFZDBANIKARX-HSALFYBXSA-N 1 3 358.530 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(Cc2ccncc2)C[C@H]2CCCN2CC)CC[N@H+]1C ZINC000631202803 523454826 /nfs/dbraw/zinc/45/48/26/523454826.db2.gz DMUFZDBANIKARX-HSALFYBXSA-N 1 3 358.530 2.625 20 0 FFADHO c1cc(CN2CCC(N3CCOCC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000625544361 523523081 /nfs/dbraw/zinc/52/30/81/523523081.db2.gz PIJLWQIALGKSBF-UHFFFAOYSA-N 1 3 357.542 2.969 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)NC[C@H]3CCN3C3CCCCC3)cn2)CC1 ZINC000637369259 523587065 /nfs/dbraw/zinc/58/70/65/523587065.db2.gz XLZBZFMPXFHJFC-LJQANCHMSA-N 1 3 374.533 2.678 20 0 FFADHO C[NH+](C)CCc1ccccc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634718647 523607320 /nfs/dbraw/zinc/60/73/20/523607320.db2.gz GZPKCSITNYOXCP-JOCHJYFZSA-N 1 3 353.510 2.840 20 0 FFADHO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722158 523609538 /nfs/dbraw/zinc/60/95/38/523609538.db2.gz KREDLMQEYPBVEA-VSKRKVRLSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722158 523609550 /nfs/dbraw/zinc/60/95/50/523609550.db2.gz KREDLMQEYPBVEA-VSKRKVRLSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722158 523609557 /nfs/dbraw/zinc/60/95/57/523609557.db2.gz KREDLMQEYPBVEA-VSKRKVRLSA-N 1 3 372.553 2.790 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4ncccc43)cc2)CC1 ZINC000631570054 523697218 /nfs/dbraw/zinc/69/72/18/523697218.db2.gz PDGBZTWWOFVSCT-JOCHJYFZSA-N 1 3 350.510 2.996 20 0 FFADHO CC[C@H]1CN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[C@@H]1[NH3+] ZINC000669111177 567909727 /nfs/dbraw/zinc/90/97/27/567909727.db2.gz FKZPZLOLUHFJCL-PXNSSMCTSA-N 1 3 358.530 2.728 20 0 FFADHO CC[C@@H]1CN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[C@@H]1[NH3+] ZINC000669111179 567910082 /nfs/dbraw/zinc/91/00/82/567910082.db2.gz FKZPZLOLUHFJCL-XLIONFOSSA-N 1 3 358.530 2.728 20 0 FFADHO [NH3+]C[C@@H](C(=O)NCC1CCN(Cc2cccs2)CC1)c1ccccc1 ZINC000215613088 568079853 /nfs/dbraw/zinc/07/98/53/568079853.db2.gz AJZSBOICGNSHOO-LJQANCHMSA-N 1 3 357.523 2.819 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063148450 728134451 /nfs/dbraw/zinc/13/44/51/728134451.db2.gz JUCDBYCNYUVKLT-QGZVFWFLSA-N 1 3 362.587 2.845 20 0 FFADHO CN1CCC(NC(=S)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000065706196 728161035 /nfs/dbraw/zinc/16/10/35/728161035.db2.gz UVCUDDSGFNUEJD-UHFFFAOYSA-N 1 3 352.592 2.589 20 0 FFADHO O=S1(=O)CCC(NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000291292247 729718431 /nfs/dbraw/zinc/71/84/31/729718431.db2.gz ZYFMPSHBDYMILP-UHFFFAOYSA-N 1 3 350.528 2.729 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069516 729851566 /nfs/dbraw/zinc/85/15/66/729851566.db2.gz OTJWRWQRPMDPPL-FUHWJXTLSA-N 1 3 362.543 2.669 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418234277 729856244 /nfs/dbraw/zinc/85/62/44/729856244.db2.gz PTRBMKAUBDOUIG-VYDXJSESSA-N 1 3 350.532 2.580 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000509574851 729928738 /nfs/dbraw/zinc/92/87/38/729928738.db2.gz KMNSEPBABJSRGA-UONOGXRCSA-N 1 3 361.452 2.640 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]CC2(N3CCSCC3)CCCCC2)CC1 ZINC000638594138 730035555 /nfs/dbraw/zinc/03/55/55/730035555.db2.gz DLEIXJVWHDUXMM-UHFFFAOYSA-N 1 3 369.619 2.563 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)[C@H]1CC[N@H+](C)C1 ZINC000645499843 730563918 /nfs/dbraw/zinc/56/39/18/730563918.db2.gz DWZJMLILWDHIFS-ULQDDVLXSA-N 1 3 350.507 2.835 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)[C@H]1CC[N@@H+](C)C1 ZINC000645499843 730563919 /nfs/dbraw/zinc/56/39/19/730563919.db2.gz DWZJMLILWDHIFS-ULQDDVLXSA-N 1 3 350.507 2.835 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862272776 730684563 /nfs/dbraw/zinc/68/45/63/730684563.db2.gz QASWGIKWVBZQFY-JKSUJKDBSA-N 1 3 355.523 2.680 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862272776 730684566 /nfs/dbraw/zinc/68/45/66/730684566.db2.gz QASWGIKWVBZQFY-JKSUJKDBSA-N 1 3 355.523 2.680 20 0 FFADHO C[C@@]1(CO)CCCN1Cc1cc(C[N@@H+]2CCC[C@@]2(C)CO)ccc1F ZINC000649441799 730885321 /nfs/dbraw/zinc/88/53/21/730885321.db2.gz OYWFCSNWRQHUBM-PMACEKPBSA-N 1 3 350.478 2.519 20 0 FFADHO C[C@@]1(CO)CCCN1Cc1cc(C[N@H+]2CCC[C@@]2(C)CO)ccc1F ZINC000649441799 730885323 /nfs/dbraw/zinc/88/53/23/730885323.db2.gz OYWFCSNWRQHUBM-PMACEKPBSA-N 1 3 350.478 2.519 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000650707552 731022012 /nfs/dbraw/zinc/02/20/12/731022012.db2.gz INYJGCUGLRJZOD-HDMKZQKVSA-N 1 3 358.511 2.923 20 0 FFADHO [NH3+]CC1(CCNCc2ncc(Br)cc2Br)CC1 ZINC000650713854 731022639 /nfs/dbraw/zinc/02/26/39/731022639.db2.gz GDVJLDTZVFMLRT-UHFFFAOYSA-N 1 3 363.097 2.825 20 0 FFADHO CCN(CCC(F)(F)F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654660552 731381887 /nfs/dbraw/zinc/38/18/87/731381887.db2.gz ZWMLCGUSCLLZSP-UHFFFAOYSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)N1CC(C)C1 ZINC000654972491 731415597 /nfs/dbraw/zinc/41/55/97/731415597.db2.gz YUWQIGLCBUCIGB-SIIHOXLZSA-N 1 3 367.896 2.928 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)N1CC(C)C1 ZINC000654972491 731415598 /nfs/dbraw/zinc/41/55/98/731415598.db2.gz YUWQIGLCBUCIGB-SIIHOXLZSA-N 1 3 367.896 2.928 20 0 FFADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000925677261 738522489 /nfs/dbraw/zinc/52/24/89/738522489.db2.gz WSRWBNPESWMNLY-LSDHHAIUSA-N 1 3 358.935 2.999 20 0 FFADHO CC1(C)C[C@@H](N)C[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000925677261 738522491 /nfs/dbraw/zinc/52/24/91/738522491.db2.gz WSRWBNPESWMNLY-LSDHHAIUSA-N 1 3 358.935 2.999 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000656197869 731557335 /nfs/dbraw/zinc/55/73/35/731557335.db2.gz CNRRCLJKODTKNU-ILXRZTDVSA-N 1 3 355.404 2.666 20 0 FFADHO [NH3+]C1CCN(CCN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000925815961 738532699 /nfs/dbraw/zinc/53/26/99/738532699.db2.gz VCXOAGWEGILETL-HNNXBMFYSA-N 1 3 356.283 2.588 20 0 FFADHO CC(C)(O)C[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000872200500 731739719 /nfs/dbraw/zinc/73/97/19/731739719.db2.gz JFONBCVJNZBQOG-QGZVFWFLSA-N 1 3 354.922 2.664 20 0 FFADHO COc1c(C)cc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000925849061 738536065 /nfs/dbraw/zinc/53/60/65/738536065.db2.gz HBZKYKQDDANHAJ-UKRRQHHQSA-N 1 3 366.889 2.993 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657347220 731772192 /nfs/dbraw/zinc/77/21/92/731772192.db2.gz OSWMXTXOKMBISM-CQSZACIVSA-N 1 3 369.351 2.516 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCN(CC2CC2)CC1 ZINC000658354642 731868555 /nfs/dbraw/zinc/86/85/55/731868555.db2.gz DZWPDYQSZQWTHY-INIZCTEOSA-N 1 3 350.528 2.560 20 0 FFADHO COc1cc(F)c([C@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1OC ZINC000873292220 731897710 /nfs/dbraw/zinc/89/77/10/731897710.db2.gz PNISPKUEYSZNQR-KBPBESRZSA-N 1 3 352.450 2.652 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000659303256 731960895 /nfs/dbraw/zinc/96/08/95/731960895.db2.gz NFJAPJSBBOFPQH-ZIAGYGMSSA-N 1 3 360.376 2.719 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000661399488 732200097 /nfs/dbraw/zinc/20/00/97/732200097.db2.gz JLZAFSDDWXHSSG-GOSISDBHSA-N 1 3 350.551 2.956 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000876741012 732275142 /nfs/dbraw/zinc/27/51/42/732275142.db2.gz LBKFBRPXLOAGSS-AWEZNQCLSA-N 1 3 364.559 2.769 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000663399420 732430194 /nfs/dbraw/zinc/43/01/94/732430194.db2.gz HHKHOWDVYMDORT-KBPBESRZSA-N 1 3 356.461 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000663399420 732430195 /nfs/dbraw/zinc/43/01/95/732430195.db2.gz HHKHOWDVYMDORT-KBPBESRZSA-N 1 3 356.461 2.597 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCSc2ccccc21 ZINC000663441215 732440674 /nfs/dbraw/zinc/44/06/74/732440674.db2.gz PYCLWTYDIWXJLK-RDJZCZTQSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCSc2ccccc21 ZINC000663441215 732440678 /nfs/dbraw/zinc/44/06/78/732440678.db2.gz PYCLWTYDIWXJLK-RDJZCZTQSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccccc1F ZINC000665762702 732752988 /nfs/dbraw/zinc/75/29/88/732752988.db2.gz NGOZJNYDMVKWPG-HNNXBMFYSA-N 1 3 352.498 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccccc1F ZINC000665762702 732752989 /nfs/dbraw/zinc/75/29/89/732752989.db2.gz NGOZJNYDMVKWPG-HNNXBMFYSA-N 1 3 352.498 2.632 20 0 FFADHO C[C@@H]1C[C@H](NCc2c(Cl)cccc2N2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000675920447 733821800 /nfs/dbraw/zinc/82/18/00/733821800.db2.gz RLAVSYSAFFBABO-CVEARBPZSA-N 1 3 362.949 2.807 20 0 FFADHO C[C@@H]1C[C@H](NCc2c(Cl)cccc2N2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000675920447 733821804 /nfs/dbraw/zinc/82/18/04/733821804.db2.gz RLAVSYSAFFBABO-CVEARBPZSA-N 1 3 362.949 2.807 20 0 FFADHO CCN1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)(C(F)(F)F)CC1 ZINC000891212668 734396948 /nfs/dbraw/zinc/39/69/48/734396948.db2.gz ZDFGAFDRWSSSJI-OAHLLOKOSA-N 1 3 367.431 2.732 20 0 FFADHO CCN1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)(C(F)(F)F)CC1 ZINC000891212668 734396950 /nfs/dbraw/zinc/39/69/50/734396950.db2.gz ZDFGAFDRWSSSJI-OAHLLOKOSA-N 1 3 367.431 2.732 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727085801 734464945 /nfs/dbraw/zinc/46/49/45/734464945.db2.gz UFMKEPVDEGVWIX-UHFFFAOYSA-N 1 3 368.566 2.652 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000891894966 734490739 /nfs/dbraw/zinc/49/07/39/734490739.db2.gz YDCMXUILASHPOB-KBRIMQKVSA-N 1 3 352.910 2.759 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000892951208 734627564 /nfs/dbraw/zinc/62/75/64/734627564.db2.gz KZUFIEGJLRJLQL-LBPRGKRZSA-N 1 3 351.438 2.574 20 0 FFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000892951208 734627567 /nfs/dbraw/zinc/62/75/67/734627567.db2.gz KZUFIEGJLRJLQL-LBPRGKRZSA-N 1 3 351.438 2.574 20 0 FFADHO CS(=O)(=O)CC1(CN[C@H](CCCC[NH3+])c2ccc(F)cc2F)CCC1 ZINC000902391118 735941254 /nfs/dbraw/zinc/94/12/54/735941254.db2.gz UPZSCPIMQSJKIW-QGZVFWFLSA-N 1 3 374.497 2.939 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)[C@@H]2CCC[C@H]21 ZINC000903426544 736092541 /nfs/dbraw/zinc/09/25/41/736092541.db2.gz YMDZLIGJVVJUQE-GBESFXJTSA-N 1 3 363.527 2.553 20 0 FFADHO Brc1cnc2n1C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CC2 ZINC000903479101 736099902 /nfs/dbraw/zinc/09/99/02/736099902.db2.gz JDUFIUKJOOITAU-IKKMQULASA-N 1 3 365.319 2.708 20 0 FFADHO Brc1cnc2n1C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000903479101 736099904 /nfs/dbraw/zinc/09/99/04/736099904.db2.gz JDUFIUKJOOITAU-IKKMQULASA-N 1 3 365.319 2.708 20 0 FFADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc3ccccc3nc1Cl)C2 ZINC000903493150 736101854 /nfs/dbraw/zinc/10/18/54/736101854.db2.gz VOSRAXMJLIGVGT-KHYOSLBOSA-N 1 3 359.857 2.601 20 0 FFADHO Fc1ccc(OC2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c(F)c1 ZINC000903722504 736159361 /nfs/dbraw/zinc/15/93/61/736159361.db2.gz LWBDSNCPWUINGB-VQIMIIECSA-N 1 3 352.425 2.577 20 0 FFADHO FC(F)(F)[C@@H]1CCC[C@@H](CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)O1 ZINC000903775018 736165508 /nfs/dbraw/zinc/16/55/08/736165508.db2.gz FHBOCCAKRDFMDR-JYJNAYRXSA-N 1 3 350.425 2.577 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN(C)CCOc2ccc(Cl)cc2)cnn1C ZINC000903876127 736182076 /nfs/dbraw/zinc/18/20/76/736182076.db2.gz DDPIMTPHUSBTHV-OAHLLOKOSA-N 1 3 350.894 2.510 20 0 FFADHO COC(=O)c1cnc([C@@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)s1 ZINC000904389954 736248245 /nfs/dbraw/zinc/24/82/45/736248245.db2.gz ZJVZYVMKDZZSFO-LLVKDONJSA-N 1 3 363.508 2.626 20 0 FFADHO CCc1ccc([C@H](CNC(=S)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000760461627 736640930 /nfs/dbraw/zinc/64/09/30/736640930.db2.gz AYVIUXJAHKFERF-IBGZPJMESA-N 1 3 362.587 2.658 20 0 FFADHO CC(C)(CNC[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000917007060 737735991 /nfs/dbraw/zinc/73/59/91/737735991.db2.gz WXCHOGVNEJCQJX-INIZCTEOSA-N 1 3 355.320 2.773 20 0 FFADHO O[C@H](CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000923362913 738276066 /nfs/dbraw/zinc/27/60/66/738276066.db2.gz QRKXGRWFWLKODB-BFYDXBDKSA-N 1 3 353.304 2.804 20 0 FFADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(COc3ccccc3C(F)(F)F)CC2)C1 ZINC000923374049 738276968 /nfs/dbraw/zinc/27/69/68/738276968.db2.gz UGHQJFCYYUQLJD-BPUTZDHNSA-N 1 3 358.404 2.647 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@@H](O)c3ccc(F)cc3Cl)C2)C1 ZINC000923389675 738278348 /nfs/dbraw/zinc/27/83/48/738278348.db2.gz VQWWOJIEFVRKEU-GGBBIFEXSA-N 1 3 356.869 2.731 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923393054 738278739 /nfs/dbraw/zinc/27/87/39/738278739.db2.gz MVPLIDJQICSZDA-RNJTYBCJSA-N 1 3 356.869 2.873 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccccc1OCC(F)(F)F)CC2 ZINC000923448685 738284844 /nfs/dbraw/zinc/28/48/44/738284844.db2.gz GDNYDOHCUGEBIR-HNNXBMFYSA-N 1 3 358.404 2.958 20 0 FFADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1CCCCC1 ZINC000805182987 740948181 /nfs/dbraw/zinc/94/81/81/740948181.db2.gz ZHLXSHHBKZXGII-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000806495609 741064738 /nfs/dbraw/zinc/06/47/38/741064738.db2.gz IVXWEGKIQTWFII-CRAIPNDOSA-N 1 3 350.482 2.602 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000806495611 741064823 /nfs/dbraw/zinc/06/48/23/741064823.db2.gz IVXWEGKIQTWFII-QAPCUYQASA-N 1 3 350.482 2.602 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC[C@H]3CCCC3(F)F)CC2)CC[N@@H+]1C ZINC000981196756 741140665 /nfs/dbraw/zinc/14/06/65/741140665.db2.gz VGPUMTRUJFVKCI-BRWVUGGUSA-N 1 3 357.489 2.686 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC[C@H]3CCCC3(F)F)CC2)CC[N@H+]1C ZINC000981196756 741140669 /nfs/dbraw/zinc/14/06/69/741140669.db2.gz VGPUMTRUJFVKCI-BRWVUGGUSA-N 1 3 357.489 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC001020174720 742536391 /nfs/dbraw/zinc/53/63/91/742536391.db2.gz OAOFJOLBIVNLSH-QBYUYEEZSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC001020174720 742536396 /nfs/dbraw/zinc/53/63/96/742536396.db2.gz OAOFJOLBIVNLSH-QBYUYEEZSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001034941483 742937407 /nfs/dbraw/zinc/93/74/07/742937407.db2.gz RDOQLLBMRMIGTE-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001034941483 742937412 /nfs/dbraw/zinc/93/74/12/742937412.db2.gz RDOQLLBMRMIGTE-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc(Cl)n1 ZINC000828949860 745144453 /nfs/dbraw/zinc/14/44/53/745144453.db2.gz QLAYPCIRTLEEED-IJEWVQPXSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(Cl)n1 ZINC000828949860 745144458 /nfs/dbraw/zinc/14/44/58/745144458.db2.gz QLAYPCIRTLEEED-IJEWVQPXSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc(Cl)n1 ZINC000828949862 745144526 /nfs/dbraw/zinc/14/45/26/745144526.db2.gz QLAYPCIRTLEEED-LZWOXQAQSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(Cl)n1 ZINC000828949862 745144529 /nfs/dbraw/zinc/14/45/29/745144529.db2.gz QLAYPCIRTLEEED-LZWOXQAQSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000830585507 745388102 /nfs/dbraw/zinc/38/81/02/745388102.db2.gz GHTYJDWEZQZALN-DOTOQJQBSA-N 1 3 364.921 2.768 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364047 747818161 /nfs/dbraw/zinc/81/81/61/747818161.db2.gz MRDAQIPUBNJHFX-ZDUSSCGKSA-N 1 3 353.413 2.691 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000844186149 747984328 /nfs/dbraw/zinc/98/43/28/747984328.db2.gz UYUYPANLYAHMAN-CWRNSKLLSA-N 1 3 352.910 2.765 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000844186149 747984335 /nfs/dbraw/zinc/98/43/35/747984335.db2.gz UYUYPANLYAHMAN-CWRNSKLLSA-N 1 3 352.910 2.765 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)ccc1OC ZINC000846193769 748427384 /nfs/dbraw/zinc/42/73/84/748427384.db2.gz OJCHFWNPYWYYCH-UZLBHIALSA-N 1 3 350.503 2.729 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(Cl)cccc1-n1ccnc1 ZINC000849112937 749055733 /nfs/dbraw/zinc/05/57/33/749055733.db2.gz KAKQZHPNAQPLLF-AWEZNQCLSA-N 1 3 360.893 2.624 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000852108772 749775724 /nfs/dbraw/zinc/77/57/24/749775724.db2.gz MMENIHSYEPGMOB-IAGOWNOFSA-N 1 3 353.304 2.900 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000852108772 749775727 /nfs/dbraw/zinc/77/57/27/749775727.db2.gz MMENIHSYEPGMOB-IAGOWNOFSA-N 1 3 353.304 2.900 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000852838333 749963646 /nfs/dbraw/zinc/96/36/46/749963646.db2.gz GRTASFUCQQGLLI-NVXWUHKLSA-N 1 3 364.921 2.672 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001104811847 970893479 /nfs/dbraw/zinc/89/34/79/970893479.db2.gz HAJUVDOBZCPABS-ZIAGYGMSSA-N 1 3 350.334 2.721 20 0 FFADHO CCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000652015754 971125711 /nfs/dbraw/zinc/12/57/11/971125711.db2.gz LBJBHLSKHIRDCT-UWHLTILDSA-N 1 3 355.526 2.745 20 0 FFADHO COc1ccc([C@H](CO)N(C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000093415321 971270221 /nfs/dbraw/zinc/27/02/21/971270221.db2.gz RGBXZVFIZYBYKR-NRFANRHFSA-N 1 3 358.482 2.801 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000896519988 971534006 /nfs/dbraw/zinc/53/40/06/971534006.db2.gz BRUOKQMYXGKFRS-FXAWDEMLSA-N 1 3 359.514 2.679 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c(C)c1 ZINC001087993378 971738914 /nfs/dbraw/zinc/73/89/14/971738914.db2.gz MLOPBQBQIYVZBN-FSSWDIPSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c(C)c1 ZINC001087993378 971738922 /nfs/dbraw/zinc/73/89/22/971738922.db2.gz MLOPBQBQIYVZBN-FSSWDIPSSA-N 1 3 369.553 2.924 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088002940 971792701 /nfs/dbraw/zinc/79/27/01/971792701.db2.gz ZWQUVGSKXPDOTH-FSSWDIPSSA-N 1 3 371.569 2.986 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088002940 971792704 /nfs/dbraw/zinc/79/27/04/971792704.db2.gz ZWQUVGSKXPDOTH-FSSWDIPSSA-N 1 3 371.569 2.986 20 0 FFADHO [NH3+][C@H](C[C@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1)C1CCCC1 ZINC000872157820 1013158857 /nfs/dbraw/zinc/15/88/57/1013158857.db2.gz QSROZQGBOHBZNB-VQIMIIECSA-N 1 3 354.498 2.814 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000654735858 958877082 /nfs/dbraw/zinc/87/70/82/958877082.db2.gz VHURBINVGOLEFR-SLFFLAALSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000654735858 958877105 /nfs/dbraw/zinc/87/71/05/958877105.db2.gz VHURBINVGOLEFR-SLFFLAALSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC[C@@H]1CCCCO1 ZINC001104287312 961815792 /nfs/dbraw/zinc/81/57/92/961815792.db2.gz CBKPOQLQBWGTCP-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001095424373 1013334656 /nfs/dbraw/zinc/33/46/56/1013334656.db2.gz OZCKFKBZVDDWRX-CZYKHXBRSA-N 1 3 367.537 2.812 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC([NH3+])(CC)CC1)N1CCc2ccccc2C1 ZINC000891348095 963362539 /nfs/dbraw/zinc/36/25/39/963362539.db2.gz OGEXTGKEURKSEU-IBGZPJMESA-N 1 3 358.530 2.736 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)c2)nn1 ZINC000873217897 1013430664 /nfs/dbraw/zinc/43/06/64/1013430664.db2.gz UHDNDKIRNRXOOL-UHFFFAOYSA-N 1 3 363.465 2.805 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090169367 963963984 /nfs/dbraw/zinc/96/39/84/963963984.db2.gz IMOUPTSAAHVJAX-PZJWPPBQSA-N 1 3 358.574 2.655 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090184972 963975594 /nfs/dbraw/zinc/97/55/94/963975594.db2.gz OMUPFDLCFXANOR-UNMCSNQZSA-N 1 3 372.601 2.903 20 0 FFADHO c1cn([C@H]2CCCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nn1 ZINC000644905279 964066938 /nfs/dbraw/zinc/06/69/38/964066938.db2.gz RWMGGNOTQQMBCX-IBGZPJMESA-N 1 3 355.486 2.590 20 0 FFADHO CN1CCN(C(C)(C)C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647170938 964113802 /nfs/dbraw/zinc/11/38/02/964113802.db2.gz VCKVNEPDYIOBFH-NRFANRHFSA-N 1 3 370.585 2.799 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000664339272 964157773 /nfs/dbraw/zinc/15/77/73/964157773.db2.gz FPPQOLMQPHBRQJ-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000664339272 964157779 /nfs/dbraw/zinc/15/77/79/964157779.db2.gz FPPQOLMQPHBRQJ-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)CCCCCC[NH3+])c2)CC1 ZINC000873319150 1013481970 /nfs/dbraw/zinc/48/19/70/1013481970.db2.gz JZJLBHBRCJLFGA-UHFFFAOYSA-N 1 3 361.534 2.811 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544639 964458661 /nfs/dbraw/zinc/45/86/61/964458661.db2.gz ZFSLOVNOVUTTGF-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[N@H+]1CC[C@H]2CN(Cc3cc4c(cc3Br)OCO4)C[C@H]2CC1 ZINC001279534287 965082003 /nfs/dbraw/zinc/08/20/03/965082003.db2.gz QORUSMINQWOUFG-BETUJISGSA-N 1 3 367.287 2.951 20 0 FFADHO C[N@@H+]1CC[C@H]2CN(Cc3cc4c(cc3Br)OCO4)C[C@H]2CC1 ZINC001279534287 965082014 /nfs/dbraw/zinc/08/20/14/965082014.db2.gz QORUSMINQWOUFG-BETUJISGSA-N 1 3 367.287 2.951 20 0 FFADHO Cc1ncsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001087175253 965097447 /nfs/dbraw/zinc/09/74/47/965097447.db2.gz DHFNSSULGPAVCR-PBHICJAKSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@H]1CC[NH3+] ZINC000653240249 966218186 /nfs/dbraw/zinc/21/81/86/966218186.db2.gz LXSCHOCTNUZUHP-FPOVZHCZSA-N 1 3 372.557 2.565 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)cc1 ZINC000892211339 966284112 /nfs/dbraw/zinc/28/41/12/966284112.db2.gz WPPHUROMWFZCJD-FQEVSTJZSA-N 1 3 352.482 2.527 20 0 FFADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657400369 966408256 /nfs/dbraw/zinc/40/82/56/966408256.db2.gz LHAFGFJEIUJFBT-BHDDXSALSA-N 1 3 374.525 2.712 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccccc2F)C1 ZINC001087212776 966579618 /nfs/dbraw/zinc/57/96/18/966579618.db2.gz PNFQRDGEVZMBSM-LMMKCTJWSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccccc2F)C1 ZINC001087212776 966579628 /nfs/dbraw/zinc/57/96/28/966579628.db2.gz PNFQRDGEVZMBSM-LMMKCTJWSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(C)ns1)N(C)C ZINC001087214584 966631704 /nfs/dbraw/zinc/63/17/04/966631704.db2.gz CRQXVFGGTXVJHX-KMFMINBZSA-N 1 3 352.548 2.508 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000653260864 966738672 /nfs/dbraw/zinc/73/86/72/966738672.db2.gz MAIOFSLUFQNEGV-QHAWAJNXSA-N 1 3 371.525 2.783 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001087219824 966756811 /nfs/dbraw/zinc/75/68/11/966756811.db2.gz QCEVHVJPGJZWBJ-UZLBHIALSA-N 1 3 354.498 2.986 20 0 FFADHO c1ccc(CN2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)nc1 ZINC001167989378 967069497 /nfs/dbraw/zinc/06/94/97/967069497.db2.gz ZCZANLIEKSKUDH-CQWAJIKYSA-N 1 3 366.553 2.851 20 0 FFADHO c1ccc(CN2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)nc1 ZINC001167989378 967069510 /nfs/dbraw/zinc/06/95/10/967069510.db2.gz ZCZANLIEKSKUDH-CQWAJIKYSA-N 1 3 366.553 2.851 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001168001834 967422524 /nfs/dbraw/zinc/42/25/24/967422524.db2.gz IVWICVXVFDPNRW-BSLJZLGVSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]21 ZINC001168001834 967422531 /nfs/dbraw/zinc/42/25/31/967422531.db2.gz IVWICVXVFDPNRW-BSLJZLGVSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168001834 967422537 /nfs/dbraw/zinc/42/25/37/967422537.db2.gz IVWICVXVFDPNRW-BSLJZLGVSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168001834 967422542 /nfs/dbraw/zinc/42/25/42/967422542.db2.gz IVWICVXVFDPNRW-BSLJZLGVSA-N 1 3 361.530 2.943 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cnc(C)s2)CC(C)C)CC[N@@H+]1C ZINC001482384564 967437024 /nfs/dbraw/zinc/43/70/24/967437024.db2.gz SWCHFLLHWLMVBV-RYQLBKOJSA-N 1 3 366.575 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cnc(C)s2)CC(C)C)CC[N@H+]1C ZINC001482384564 967437032 /nfs/dbraw/zinc/43/70/32/967437032.db2.gz SWCHFLLHWLMVBV-RYQLBKOJSA-N 1 3 366.575 2.802 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)CC[N@@H+]1C ZINC001211603963 967822422 /nfs/dbraw/zinc/82/24/22/967822422.db2.gz WWXIGYGNNQLHCQ-KXKJJNSBSA-N 1 3 361.917 2.663 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)CC[N@H+]1C ZINC001211603963 967822434 /nfs/dbraw/zinc/82/24/34/967822434.db2.gz WWXIGYGNNQLHCQ-KXKJJNSBSA-N 1 3 361.917 2.663 20 0 FFADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000665257938 967879629 /nfs/dbraw/zinc/87/96/29/967879629.db2.gz ZGHKPDCSDMFGJS-VXKWHMMOSA-N 1 3 368.500 2.920 20 0 FFADHO COc1cccc(COC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134896825 967981236 /nfs/dbraw/zinc/98/12/36/967981236.db2.gz UHPQULQVHGXXAP-SYYKKAFVSA-N 1 3 374.525 2.521 20 0 FFADHO COc1cccc(COC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134896825 967981242 /nfs/dbraw/zinc/98/12/42/967981242.db2.gz UHPQULQVHGXXAP-SYYKKAFVSA-N 1 3 374.525 2.521 20 0 FFADHO Cc1ccc(F)c(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001087245233 967984436 /nfs/dbraw/zinc/98/44/36/967984436.db2.gz KBDFSKOJMGXWEJ-LMMKCTJWSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001087245233 967984441 /nfs/dbraw/zinc/98/44/41/967984441.db2.gz KBDFSKOJMGXWEJ-LMMKCTJWSA-N 1 3 361.505 2.803 20 0 FFADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657841426 968013282 /nfs/dbraw/zinc/01/32/82/968013282.db2.gz PSKSPMFBRCZDFR-OAQYLSRUSA-N 1 3 357.542 2.886 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001211623349 968167164 /nfs/dbraw/zinc/16/71/64/968167164.db2.gz CGQYUVOFKYCKED-GVDBMIGSSA-N 1 3 371.447 2.863 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1cnccc1C ZINC001087578870 968235699 /nfs/dbraw/zinc/23/56/99/968235699.db2.gz UPNKSCDEVUQBMP-VNTMZGSJSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1cnccc1C ZINC001087578870 968235712 /nfs/dbraw/zinc/23/57/12/968235712.db2.gz UPNKSCDEVUQBMP-VNTMZGSJSA-N 1 3 358.530 2.589 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1CC ZINC001087593602 968285163 /nfs/dbraw/zinc/28/51/63/968285163.db2.gz MQYZODNGEXLGCI-BBWFWOEESA-N 1 3 357.489 2.875 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H]1CC ZINC001087593602 968285175 /nfs/dbraw/zinc/28/51/75/968285175.db2.gz MQYZODNGEXLGCI-BBWFWOEESA-N 1 3 357.489 2.875 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CCc1ccccc1 ZINC001087639593 968475288 /nfs/dbraw/zinc/47/52/88/968475288.db2.gz GMOIHVVDNJLNJC-VQTJNVASSA-N 1 3 355.526 2.827 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CCc1ccccc1 ZINC001087639593 968475294 /nfs/dbraw/zinc/47/52/94/968475294.db2.gz GMOIHVVDNJLNJC-VQTJNVASSA-N 1 3 355.526 2.827 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC1CCC1 ZINC001087724043 968748217 /nfs/dbraw/zinc/74/82/17/968748217.db2.gz SPICCQJZGLGJAE-QKLQHJQFSA-N 1 3 353.526 2.968 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC1CCC1 ZINC001087724043 968748222 /nfs/dbraw/zinc/74/82/22/968748222.db2.gz SPICCQJZGLGJAE-QKLQHJQFSA-N 1 3 353.526 2.968 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc4c3NCCC4)cc2)C1 ZINC000895247363 968761287 /nfs/dbraw/zinc/76/12/87/968761287.db2.gz AZAMXTLDVAJWDB-OAQYLSRUSA-N 1 3 351.494 2.901 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4c3NCCC4)cc2)C1 ZINC000895247363 968761293 /nfs/dbraw/zinc/76/12/93/968761293.db2.gz AZAMXTLDVAJWDB-OAQYLSRUSA-N 1 3 351.494 2.901 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[C@H](C)[NH+](C)C ZINC000895297532 969074384 /nfs/dbraw/zinc/07/43/84/969074384.db2.gz YKGZWLLQMQEUBC-GJZGRUSLSA-N 1 3 360.502 2.682 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@H](C)N(C)C ZINC000895297532 969074390 /nfs/dbraw/zinc/07/43/90/969074390.db2.gz YKGZWLLQMQEUBC-GJZGRUSLSA-N 1 3 360.502 2.682 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949315 969405638 /nfs/dbraw/zinc/40/56/38/969405638.db2.gz YQVAZEXOGIXMKY-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000892562634 969486500 /nfs/dbraw/zinc/48/65/00/969486500.db2.gz JGUUUUZTMUZDRH-ZCNNSNEGSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659029175 969644483 /nfs/dbraw/zinc/64/44/83/969644483.db2.gz AUMAGMKFSWLTEK-YLJYHZDGSA-N 1 3 374.529 2.981 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659029175 969644485 /nfs/dbraw/zinc/64/44/85/969644485.db2.gz AUMAGMKFSWLTEK-YLJYHZDGSA-N 1 3 374.529 2.981 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000659032165 969649036 /nfs/dbraw/zinc/64/90/36/969649036.db2.gz PZUFVHJETZAXAO-HXUWFJFHSA-N 1 3 372.513 2.830 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659036958 969654417 /nfs/dbraw/zinc/65/44/17/969654417.db2.gz UCTOSGDWXFVIMG-IBGZPJMESA-N 1 3 360.502 2.686 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659038562 969656929 /nfs/dbraw/zinc/65/69/29/969656929.db2.gz SNSMSPALEWGPFK-DNVCBOLYSA-N 1 3 360.502 2.542 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659279413 969791121 /nfs/dbraw/zinc/79/11/21/969791121.db2.gz MGALJASMBUHGKT-LJQANCHMSA-N 1 3 366.465 2.750 20 0 FFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000874831981 1013910363 /nfs/dbraw/zinc/91/03/63/1013910363.db2.gz BPZRFQADYBKERJ-PMACEKPBSA-N 1 3 355.526 2.984 20 0 FFADHO CC1(C)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC000659610037 970075118 /nfs/dbraw/zinc/07/51/18/970075118.db2.gz CENDIUWSLNVBKW-LJQANCHMSA-N 1 3 370.541 2.682 20 0 FFADHO CC1(C)CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC000659610037 970075128 /nfs/dbraw/zinc/07/51/28/970075128.db2.gz CENDIUWSLNVBKW-LJQANCHMSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000650982146 970102686 /nfs/dbraw/zinc/10/26/86/970102686.db2.gz LKYWVAYEJOKJNZ-SFHVURJKSA-N 1 3 373.545 2.734 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2sc(C)nc2C)C1)N(C)C ZINC001104691188 970110832 /nfs/dbraw/zinc/11/08/32/970110832.db2.gz KYKUXOMBYVSTDP-XYPHTWIQSA-N 1 3 366.575 2.674 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C2CC2)[C@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001481170819 970297765 /nfs/dbraw/zinc/29/77/65/970297765.db2.gz SVFBTSWXCSAJHZ-KKVAFCGZSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C2CC2)[C@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001481170819 970297770 /nfs/dbraw/zinc/29/77/70/970297770.db2.gz SVFBTSWXCSAJHZ-KKVAFCGZSA-N 1 3 359.489 2.734 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCN(C)C1 ZINC000645505685 972793192 /nfs/dbraw/zinc/79/31/92/972793192.db2.gz JWKVLNADRASRIK-YSIASYRMSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCN(C)C1 ZINC000645505685 972793199 /nfs/dbraw/zinc/79/31/99/972793199.db2.gz JWKVLNADRASRIK-YSIASYRMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001088105939 972820817 /nfs/dbraw/zinc/82/08/17/972820817.db2.gz ILFYPUJTZIQVLF-UHOSZYNNSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001088105939 972820826 /nfs/dbraw/zinc/82/08/26/972820826.db2.gz ILFYPUJTZIQVLF-UHOSZYNNSA-N 1 3 359.489 2.590 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000660838526 972972901 /nfs/dbraw/zinc/97/29/01/972972901.db2.gz WLSHYBCOYZXMKZ-UXHICEINSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000660838526 972972913 /nfs/dbraw/zinc/97/29/13/972972913.db2.gz WLSHYBCOYZXMKZ-UXHICEINSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660938282 973206069 /nfs/dbraw/zinc/20/60/69/973206069.db2.gz KNBWOTIMMXTIFV-LPHOPBHVSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660938282 973206075 /nfs/dbraw/zinc/20/60/75/973206075.db2.gz KNBWOTIMMXTIFV-LPHOPBHVSA-N 1 3 373.545 2.779 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000897287550 973999386 /nfs/dbraw/zinc/99/93/86/973999386.db2.gz BRXZHIPUEISGSM-LJQANCHMSA-N 1 3 359.514 2.821 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000665760012 974093656 /nfs/dbraw/zinc/09/36/56/974093656.db2.gz WLSTZBUUZOBZTP-INIZCTEOSA-N 1 3 360.502 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000665760012 974093666 /nfs/dbraw/zinc/09/36/66/974093666.db2.gz WLSTZBUUZOBZTP-INIZCTEOSA-N 1 3 360.502 2.846 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)CN1Cc1ccccc1 ZINC000652167619 974670576 /nfs/dbraw/zinc/67/05/76/974670576.db2.gz ZKAWVPIJSOYZMU-KXBFYZLASA-N 1 3 370.472 2.747 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653155705 1014240486 /nfs/dbraw/zinc/24/04/86/1014240486.db2.gz CMEOUFRSTNLGHQ-WOJBJXKFSA-N 1 3 356.514 2.686 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCC1(c2ccccc2)CC1 ZINC000662295859 975411785 /nfs/dbraw/zinc/41/17/85/975411785.db2.gz IEJBUOOGOYZGBH-LJQANCHMSA-N 1 3 355.526 2.546 20 0 FFADHO C[C@@H]1CCCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@@H]1CCC[NH3+] ZINC000662316427 975438669 /nfs/dbraw/zinc/43/86/69/975438669.db2.gz WBQSBUUHGOWTOQ-UKRRQHHQSA-N 1 3 358.442 2.805 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000666995263 975595445 /nfs/dbraw/zinc/59/54/45/975595445.db2.gz IQJJHMZGRHJYQV-LSDHHAIUSA-N 1 3 361.486 2.685 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662488499 975630258 /nfs/dbraw/zinc/63/02/58/975630258.db2.gz PNVJPMPONRVOSP-IBGZPJMESA-N 1 3 373.541 2.684 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC000961856800 1014282027 /nfs/dbraw/zinc/28/20/27/1014282027.db2.gz ODFDGUGZBUXWQG-ZRPLWEQMSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC000961856800 1014282042 /nfs/dbraw/zinc/28/20/42/1014282042.db2.gz ODFDGUGZBUXWQG-ZRPLWEQMSA-N 1 3 365.468 2.680 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662661076 975795743 /nfs/dbraw/zinc/79/57/43/975795743.db2.gz JHUPUVPHUKWRBJ-IFMALSPDSA-N 1 3 363.505 2.649 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662661076 975795752 /nfs/dbraw/zinc/79/57/52/975795752.db2.gz JHUPUVPHUKWRBJ-IFMALSPDSA-N 1 3 363.505 2.649 20 0 FFADHO c1nc(N[C@@H]2CCN(C3CC3)C2)nc(N[C@H]2CC[N@@H+](C3CC3)C2)c1C1CC1 ZINC000663424496 975862761 /nfs/dbraw/zinc/86/27/61/975862761.db2.gz CPBAAWAIHYUULQ-JKSUJKDBSA-N 1 3 368.529 2.651 20 0 FFADHO c1nc(N[C@@H]2CCN(C3CC3)C2)nc(N[C@H]2CC[N@H+](C3CC3)C2)c1C1CC1 ZINC000663424496 975862771 /nfs/dbraw/zinc/86/27/71/975862771.db2.gz CPBAAWAIHYUULQ-JKSUJKDBSA-N 1 3 368.529 2.651 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000663445253 975906626 /nfs/dbraw/zinc/90/66/26/975906626.db2.gz NMVGXRQZMORTEA-NRFANRHFSA-N 1 3 372.557 2.581 20 0 FFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CCN([C@@H]4CCOC4)CC3)ccc21 ZINC000667196104 975929138 /nfs/dbraw/zinc/92/91/38/975929138.db2.gz OSUOEFQTICJTMY-UYAOXDASSA-N 1 3 372.513 2.610 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000663460076 975958031 /nfs/dbraw/zinc/95/80/31/975958031.db2.gz XVHPOZXIBSSOMW-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000663460076 975958039 /nfs/dbraw/zinc/95/80/39/975958039.db2.gz XVHPOZXIBSSOMW-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001167823378 976021347 /nfs/dbraw/zinc/02/13/47/976021347.db2.gz KXUJYZXGSQDKEN-YLJYHZDGSA-N 1 3 366.550 2.585 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000899223290 977031670 /nfs/dbraw/zinc/03/16/70/977031670.db2.gz DSKLWBMLAWKZEE-LJQANCHMSA-N 1 3 359.514 2.821 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cnc2c(c1)CNCC2 ZINC000667797471 977057587 /nfs/dbraw/zinc/05/75/87/977057587.db2.gz OEVBELCQTMEBOI-IBGZPJMESA-N 1 3 365.481 2.513 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1cnc2c(c1)CNCC2 ZINC000667797471 977057594 /nfs/dbraw/zinc/05/75/94/977057594.db2.gz OEVBELCQTMEBOI-IBGZPJMESA-N 1 3 365.481 2.513 20 0 FFADHO N=C(NCCCC[NH3+])Nc1nc(Cl)nc2c(Br)cccc12 ZINC001167879232 977179467 /nfs/dbraw/zinc/17/94/67/977179467.db2.gz UUWBMVKEPFEOSA-UHFFFAOYSA-N 1 3 371.670 2.721 20 0 FFADHO CCN(C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663785782 977348605 /nfs/dbraw/zinc/34/86/05/977348605.db2.gz ZKFOUAOSFJEMMQ-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663785782 977348609 /nfs/dbraw/zinc/34/86/09/977348609.db2.gz ZKFOUAOSFJEMMQ-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO N[C@@H](CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC000237909254 977504497 /nfs/dbraw/zinc/50/44/97/977504497.db2.gz PARYRZVUYXVYKW-OALUTQOASA-N 1 3 367.449 2.624 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000893783019 977551717 /nfs/dbraw/zinc/55/17/17/977551717.db2.gz MRJJICKRWWNCOQ-QGZVFWFLSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000893783019 977551722 /nfs/dbraw/zinc/55/17/22/977551722.db2.gz MRJJICKRWWNCOQ-QGZVFWFLSA-N 1 3 373.545 2.638 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000332700784 977666595 /nfs/dbraw/zinc/66/65/95/977666595.db2.gz BFHUNECAITWEKA-MSOLQXFVSA-N 1 3 373.545 2.638 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000332700784 977666599 /nfs/dbraw/zinc/66/65/99/977666599.db2.gz BFHUNECAITWEKA-MSOLQXFVSA-N 1 3 373.545 2.638 20 0 FFADHO CCCN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCN(C)C1 ZINC000645137393 977825095 /nfs/dbraw/zinc/82/50/95/977825095.db2.gz UXIXAMZIEXTDHA-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO OC[C@@H]1CCCCCN1Cc1cncc(C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000653783994 1014448231 /nfs/dbraw/zinc/44/82/31/1014448231.db2.gz AWIKDOZTVVMUNS-SFTDATJTSA-N 1 3 361.530 2.555 20 0 FFADHO OC[C@@H]1CCCCCN1Cc1cncc(C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000653783994 1014448234 /nfs/dbraw/zinc/44/82/34/1014448234.db2.gz AWIKDOZTVVMUNS-SFTDATJTSA-N 1 3 361.530 2.555 20 0 FFADHO Cc1ccnc(N)c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000894191928 978127030 /nfs/dbraw/zinc/12/70/30/978127030.db2.gz SJCZBIWTVHKAFG-UHFFFAOYSA-N 1 3 367.541 2.660 20 0 FFADHO Cc1cccc(CN2C[C@@H]3CCN(C(=O)[C@@H](C4CC4)[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001076085762 979094500 /nfs/dbraw/zinc/09/45/00/979094500.db2.gz AXUAXABQJGGVPC-BHDDXSALSA-N 1 3 367.537 2.902 20 0 FFADHO C[C@@H](c1cccc(F)c1)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076203928 979220663 /nfs/dbraw/zinc/22/06/63/979220663.db2.gz KBNAFSULQGJWPR-ZAAXVRCTSA-N 1 3 359.489 2.761 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076244552 979277940 /nfs/dbraw/zinc/27/79/40/979277940.db2.gz SQVGRQWONJQWHU-BVYCBKJFSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076244552 979277946 /nfs/dbraw/zinc/27/79/46/979277946.db2.gz SQVGRQWONJQWHU-BVYCBKJFSA-N 1 3 369.553 2.802 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877360300 1014562914 /nfs/dbraw/zinc/56/29/14/1014562914.db2.gz LWNYLOWXEZCCCR-BXUZGUMPSA-N 1 3 369.387 2.704 20 0 FFADHO C[C@H]1CN(Cc2cc3c(cc2Br)OCO3)CCC[C@@H]1C[NH3+] ZINC001205994014 1032097648 /nfs/dbraw/zinc/09/76/48/1032097648.db2.gz ITNJTZFDIXTQCA-NWDGAFQWSA-N 1 3 355.276 2.985 20 0 FFADHO CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000666041567 979895116 /nfs/dbraw/zinc/89/51/16/979895116.db2.gz QZGMUIXSYOZHIY-KRWDZBQOSA-N 1 3 363.550 2.925 20 0 FFADHO CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000666041567 979895120 /nfs/dbraw/zinc/89/51/20/979895120.db2.gz QZGMUIXSYOZHIY-KRWDZBQOSA-N 1 3 363.550 2.925 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2)CC1 ZINC000904280840 980233978 /nfs/dbraw/zinc/23/39/78/980233978.db2.gz BLPSWKASUMXQBZ-XLIONFOSSA-N 1 3 373.545 2.810 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097981 980387490 /nfs/dbraw/zinc/38/74/90/980387490.db2.gz PQKJQVDLJWDQNX-NHCUHLMSSA-N 1 3 360.542 2.587 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097981 980387497 /nfs/dbraw/zinc/38/74/97/980387497.db2.gz PQKJQVDLJWDQNX-NHCUHLMSSA-N 1 3 360.542 2.587 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097981 980387503 /nfs/dbraw/zinc/38/75/03/980387503.db2.gz PQKJQVDLJWDQNX-NHCUHLMSSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001168189203 980856496 /nfs/dbraw/zinc/85/64/96/980856496.db2.gz QSFLEMFWNGXKEG-HNNXBMFYSA-N 1 3 363.933 2.933 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc(C2CC2)cc1 ZINC001088571687 981163121 /nfs/dbraw/zinc/16/31/21/981163121.db2.gz JZSHLBRSASEEKD-XGRCMKMKSA-N 1 3 367.537 2.985 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000654408204 1014713494 /nfs/dbraw/zinc/71/34/94/1014713494.db2.gz YPGOEUKAPZNMRZ-ZCNNSNEGSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000654408204 1014713508 /nfs/dbraw/zinc/71/35/08/1014713508.db2.gz YPGOEUKAPZNMRZ-ZCNNSNEGSA-N 1 3 358.530 2.914 20 0 FFADHO CC(C)Oc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001483340785 981784537 /nfs/dbraw/zinc/78/45/37/981784537.db2.gz VNFCBXCSTDLFSC-MBOZVWFJSA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)Oc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001483340785 981784548 /nfs/dbraw/zinc/78/45/48/981784548.db2.gz VNFCBXCSTDLFSC-MBOZVWFJSA-N 1 3 361.530 2.751 20 0 FFADHO c1ccc(CN2CC[C@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655765050 982725409 /nfs/dbraw/zinc/72/54/09/982725409.db2.gz XTQIVIMOYAKJAN-IRLDBZIGSA-N 1 3 357.542 2.742 20 0 FFADHO C[C@H]1CN(Cc2ccc(O)c(I)c2)CCC[C@@H]1C[NH3+] ZINC001206012939 1032106939 /nfs/dbraw/zinc/10/69/39/1032106939.db2.gz OILOYSRCUPIXEY-WCQYABFASA-N 1 3 374.266 2.804 20 0 FFADHO Cc1ccc(F)c(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)c1 ZINC000995829806 984142455 /nfs/dbraw/zinc/14/24/55/984142455.db2.gz DFQXVKWONLBSES-SUMDDJOVSA-N 1 3 361.505 2.801 20 0 FFADHO Cc1ccc(F)c(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)c1 ZINC000995829806 984142459 /nfs/dbraw/zinc/14/24/59/984142459.db2.gz DFQXVKWONLBSES-SUMDDJOVSA-N 1 3 361.505 2.801 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000878383973 1015019523 /nfs/dbraw/zinc/01/95/23/1015019523.db2.gz GIYCVDUYKCPGCF-SESVDKBCSA-N 1 3 360.542 2.933 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC(C)([NH+](C)C)CC3)cc2)CC1 ZINC000913397782 984255000 /nfs/dbraw/zinc/25/50/00/984255000.db2.gz FUSNOVXYVUHLKC-UHFFFAOYSA-N 1 3 372.557 2.773 20 0 FFADHO Cc1cccnc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438543 984539090 /nfs/dbraw/zinc/53/90/90/984539090.db2.gz DSRZMLPCIAFKRN-KCZVDYSFSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cccnc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438543 984539092 /nfs/dbraw/zinc/53/90/92/984539092.db2.gz DSRZMLPCIAFKRN-KCZVDYSFSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1scnc1C)CC2)N(C)C ZINC001107450046 984551895 /nfs/dbraw/zinc/55/18/95/984551895.db2.gz AKFPLOBKEGICML-SZVBFZGTSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1scnc1C)CC2)N(C)C ZINC001107450046 984551901 /nfs/dbraw/zinc/55/19/01/984551901.db2.gz AKFPLOBKEGICML-SZVBFZGTSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@H](NCC1(C[NH+](C)C)CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000760897475 984566148 /nfs/dbraw/zinc/56/61/48/984566148.db2.gz MKOHBYZXYHHPIP-PZJWPPBQSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2)[NH+]1CCCC1 ZINC001107495702 984596766 /nfs/dbraw/zinc/59/67/66/984596766.db2.gz SQAJQFWPGSGLON-SVSFKKINSA-N 1 3 353.938 2.974 20 0 FFADHO CC[C@@H](F)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495055 984596874 /nfs/dbraw/zinc/59/68/74/984596874.db2.gz ICWNJLAINQNFIL-MBOZVWFJSA-N 1 3 353.526 2.970 20 0 FFADHO CC[C@@H](F)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495055 984596877 /nfs/dbraw/zinc/59/68/77/984596877.db2.gz ICWNJLAINQNFIL-MBOZVWFJSA-N 1 3 353.526 2.970 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000669474149 984631505 /nfs/dbraw/zinc/63/15/05/984631505.db2.gz HEPJDRFKOXWYOI-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533984 984643310 /nfs/dbraw/zinc/64/33/10/984643310.db2.gz QJGAVCFRCNXWRR-SFHLNBCPSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533984 984643313 /nfs/dbraw/zinc/64/33/13/984643313.db2.gz QJGAVCFRCNXWRR-SFHLNBCPSA-N 1 3 367.578 2.750 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669483521 984648031 /nfs/dbraw/zinc/64/80/31/984648031.db2.gz AJMBBSOPOHUXPE-PLACYPQZSA-N 1 3 370.541 2.901 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C[C@H]1C[NH3+] ZINC000669483543 984648340 /nfs/dbraw/zinc/64/83/40/984648340.db2.gz ARBVLCOBOSZBHT-RLLQIKCJSA-N 1 3 358.530 2.840 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC1CCC1)CC2)N(C)C ZINC001107554741 984685383 /nfs/dbraw/zinc/68/53/83/984685383.db2.gz LQXZDFCPZMJVKA-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC1CCC1)CC2)N(C)C ZINC001107554741 984685386 /nfs/dbraw/zinc/68/53/86/984685386.db2.gz LQXZDFCPZMJVKA-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC001107582050 984732281 /nfs/dbraw/zinc/73/22/81/984732281.db2.gz UBCAVHWONDBZDU-WAOWUJCRSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC001107582050 984732287 /nfs/dbraw/zinc/73/22/87/984732287.db2.gz UBCAVHWONDBZDU-WAOWUJCRSA-N 1 3 365.562 2.504 20 0 FFADHO CCOC1CC(C[N@@H+]2CC[C@@]3(CNC(=O)CN(CC)CC)CCC[C@@H]23)C1 ZINC001107582857 984733497 /nfs/dbraw/zinc/73/34/97/984733497.db2.gz ADRZKRDXFPRVDQ-SDVBZNEUSA-N 1 3 365.562 2.504 20 0 FFADHO CCOC1CC(C[N@H+]2CC[C@@]3(CNC(=O)CN(CC)CC)CCC[C@@H]23)C1 ZINC001107582857 984733502 /nfs/dbraw/zinc/73/35/02/984733502.db2.gz ADRZKRDXFPRVDQ-SDVBZNEUSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC(C)C)CC2 ZINC001107582478 984733790 /nfs/dbraw/zinc/73/37/90/984733790.db2.gz GASRNEDHBBKTQU-UYAOXDASSA-N 1 3 353.551 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOC(C)C)CC2 ZINC001107582478 984733796 /nfs/dbraw/zinc/73/37/96/984733796.db2.gz GASRNEDHBBKTQU-UYAOXDASSA-N 1 3 353.551 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2 ZINC001107614991 984825168 /nfs/dbraw/zinc/82/51/68/984825168.db2.gz PPAFKBFLDNLQTR-IFMALSPDSA-N 1 3 357.542 2.932 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccccc1)CC2 ZINC001107614991 984825184 /nfs/dbraw/zinc/82/51/84/984825184.db2.gz PPAFKBFLDNLQTR-IFMALSPDSA-N 1 3 357.542 2.932 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCN1Cc1ccccc1 ZINC000669587484 984867313 /nfs/dbraw/zinc/86/73/13/984867313.db2.gz KWAMOSKNBNBUKU-KKSFZXQISA-N 1 3 364.493 2.752 20 0 FFADHO O=C(CCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107643790 984927049 /nfs/dbraw/zinc/92/70/49/984927049.db2.gz SYIWCPQLIUZIAX-IFMALSPDSA-N 1 3 370.541 2.818 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765665080 985272622 /nfs/dbraw/zinc/27/26/22/985272622.db2.gz YOXMAVZPAJLIIE-HXUWFJFHSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCOC1CCCCCC1 ZINC001088981059 985743641 /nfs/dbraw/zinc/74/36/41/985743641.db2.gz AQZBWKVLKSWTIW-GGPKGHCWSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCOC1CCCCCC1 ZINC001088981059 985743655 /nfs/dbraw/zinc/74/36/55/985743655.db2.gz AQZBWKVLKSWTIW-GGPKGHCWSA-N 1 3 365.562 2.647 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401296 986116311 /nfs/dbraw/zinc/11/63/11/986116311.db2.gz KXMBFGNLQHBCJB-FBYXPACISA-N 1 3 365.562 2.526 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401296 986116314 /nfs/dbraw/zinc/11/63/14/986116314.db2.gz KXMBFGNLQHBCJB-FBYXPACISA-N 1 3 365.562 2.526 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651677552 1015326020 /nfs/dbraw/zinc/32/60/20/1015326020.db2.gz MDYZXNSOQQYTPS-SFHVURJKSA-N 1 3 355.530 2.605 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1OC ZINC001212487111 987683025 /nfs/dbraw/zinc/68/30/25/987683025.db2.gz SAIUVHYDOUEPJX-QZTJIDSGSA-N 1 3 353.551 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1OC ZINC001212487111 987683028 /nfs/dbraw/zinc/68/30/28/987683028.db2.gz SAIUVHYDOUEPJX-QZTJIDSGSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001106244822 987748637 /nfs/dbraw/zinc/74/86/37/987748637.db2.gz UCWDPMOUBMBDSD-GDSCYZHGSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCc1ccccc1 ZINC001106244468 987748760 /nfs/dbraw/zinc/74/87/60/987748760.db2.gz LPGGBWUPQHNQMB-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000193132971 987830507 /nfs/dbraw/zinc/83/05/07/987830507.db2.gz WQTMHQJPDRYCBF-UHFFFAOYSA-N 1 3 362.518 2.758 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085196486 988043436 /nfs/dbraw/zinc/04/34/36/988043436.db2.gz AVJDZSCEMOBMEY-QRVBRYPASA-N 1 3 362.518 2.627 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085196486 988043450 /nfs/dbraw/zinc/04/34/50/988043450.db2.gz AVJDZSCEMOBMEY-QRVBRYPASA-N 1 3 362.518 2.627 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNCc1csc(C2CC2)n1 ZINC001106597768 988462553 /nfs/dbraw/zinc/46/25/53/988462553.db2.gz MHMVZAUINPAZIQ-GDBMZVCRSA-N 1 3 364.559 2.546 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1)[NH+](C)C ZINC001106633178 988536955 /nfs/dbraw/zinc/53/69/55/988536955.db2.gz BSIVMHQNQKBQPF-CSFKKDGTSA-N 1 3 350.334 2.576 20 0 FFADHO COc1cc2c(c(CN[C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)c1)O[C@@H](C)C2 ZINC000922390086 988545740 /nfs/dbraw/zinc/54/57/40/988545740.db2.gz XGOBQUBVBDZBSC-DYLBNHOVSA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(c(CN[C@@H]3C[C@@]4(C[N@@H+](C)[C@@H]4C(C)C)C[C@H]3O)c1)O[C@@H](C)C2 ZINC000922390086 988545749 /nfs/dbraw/zinc/54/57/49/988545749.db2.gz XGOBQUBVBDZBSC-DYLBNHOVSA-N 1 3 374.525 2.588 20 0 FFADHO C[C@H](CN[C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C[NH+]1CCCCC1 ZINC000699665428 988562909 /nfs/dbraw/zinc/56/29/09/988562909.db2.gz NOPXYIBUZXEGBL-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CN1CCCCC1 ZINC000699665428 988562918 /nfs/dbraw/zinc/56/29/18/988562918.db2.gz NOPXYIBUZXEGBL-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCc3ccsc3)[C@H](C)C2)C1 ZINC001106666576 988609801 /nfs/dbraw/zinc/60/98/01/988609801.db2.gz PEEBGJZDYYPIHN-YQVWRLOYSA-N 1 3 363.571 2.707 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000673593485 988752169 /nfs/dbraw/zinc/75/21/69/988752169.db2.gz YSQCEKRDLQETOJ-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000915789480 988915644 /nfs/dbraw/zinc/91/56/44/988915644.db2.gz ZDGFVZQQMTZEHR-KDURUIRLSA-N 1 3 365.562 2.600 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC001106783522 989043708 /nfs/dbraw/zinc/04/37/08/989043708.db2.gz SDQZOJNTJAXATI-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)[N@H+](C)C1CC1 ZINC000673773711 989243456 /nfs/dbraw/zinc/24/34/56/989243456.db2.gz KLZVSDJRBQVQSF-ZWKOTPCHSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000673773711 989243464 /nfs/dbraw/zinc/24/34/64/989243464.db2.gz KLZVSDJRBQVQSF-ZWKOTPCHSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673769688 989251790 /nfs/dbraw/zinc/25/17/90/989251790.db2.gz WEIDBAFLPJRPKI-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652346683 1015534637 /nfs/dbraw/zinc/53/46/37/1015534637.db2.gz DRVMAMMUJSKJCO-DIZVHYTASA-N 1 3 373.541 2.513 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000675177025 990094666 /nfs/dbraw/zinc/09/46/66/990094666.db2.gz HGOPDBFNUBFCLI-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000675182910 990105199 /nfs/dbraw/zinc/10/51/99/990105199.db2.gz YXKGMZWMAIHHNC-DFQSSKMNSA-N 1 3 358.530 2.996 20 0 FFADHO O=C1OCCN1CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000766128031 990236345 /nfs/dbraw/zinc/23/63/45/990236345.db2.gz HXRNZPLDZCTIHJ-WOJBJXKFSA-N 1 3 357.498 2.815 20 0 FFADHO O=C1OCCN1CCC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000766128031 990236355 /nfs/dbraw/zinc/23/63/55/990236355.db2.gz HXRNZPLDZCTIHJ-WOJBJXKFSA-N 1 3 357.498 2.815 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000675577231 990309901 /nfs/dbraw/zinc/30/99/01/990309901.db2.gz IWFFUMSOEYTIHY-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cc3ccccc3o2)CC[N@@H+]1C ZINC001034940023 990323735 /nfs/dbraw/zinc/32/37/35/990323735.db2.gz SNIAMYWEXXSAJY-SZVBFZGTSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cc3ccccc3o2)CC[N@H+]1C ZINC001034940023 990323741 /nfs/dbraw/zinc/32/37/41/990323741.db2.gz SNIAMYWEXXSAJY-SZVBFZGTSA-N 1 3 355.482 2.854 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000918083973 990331587 /nfs/dbraw/zinc/33/15/87/990331587.db2.gz QTAUIRFDRJUQMK-UHFFFAOYSA-N 1 3 372.557 2.677 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000918118510 990338017 /nfs/dbraw/zinc/33/80/17/990338017.db2.gz ACNRMNVPKHWEPD-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO COc1cc(F)c([C@@H](C)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000675872822 990402427 /nfs/dbraw/zinc/40/24/27/990402427.db2.gz JTENFOXOWMBMOJ-HUUCEWRRSA-N 1 3 365.493 2.662 20 0 FFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923452456 991156341 /nfs/dbraw/zinc/15/63/41/991156341.db2.gz GZZWDXRFUYSHMH-SQGPQFPESA-N 1 3 373.541 2.645 20 0 FFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000923489623 991185253 /nfs/dbraw/zinc/18/52/53/991185253.db2.gz PYLVKWNTBIVBCA-CTNGQTDRSA-N 1 3 351.494 2.757 20 0 FFADHO CN(C(=O)CN1CC[C@H](CC[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000923489706 991185392 /nfs/dbraw/zinc/18/53/92/991185392.db2.gz GKXOYCCQBQNWNK-SFHVURJKSA-N 1 3 351.494 2.905 20 0 FFADHO [NH3+]CC[C@H]1CCN(CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC000923492421 991187228 /nfs/dbraw/zinc/18/72/28/991187228.db2.gz OAMAUWQFSWRUCG-SFHVURJKSA-N 1 3 367.493 2.553 20 0 FFADHO O=c1cc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)nc2ccc(Cl)cn12 ZINC000923503085 991188356 /nfs/dbraw/zinc/18/83/56/991188356.db2.gz GEPVBZRTZJFBBX-OAHLLOKOSA-N 1 3 374.916 2.950 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000380444520 991687238 /nfs/dbraw/zinc/68/72/38/991687238.db2.gz CSCKLPXZIWIYIS-NNMXDRDESA-N 1 3 373.541 2.547 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000380444520 991687239 /nfs/dbraw/zinc/68/72/39/991687239.db2.gz CSCKLPXZIWIYIS-NNMXDRDESA-N 1 3 373.541 2.547 20 0 FFADHO COc1cc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc2ccccc21 ZINC000449126594 991815331 /nfs/dbraw/zinc/81/53/31/991815331.db2.gz ULMNJYJUUQUUGA-UHFFFAOYSA-N 1 3 369.509 2.881 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723905 992361456 /nfs/dbraw/zinc/36/14/56/992361456.db2.gz PTSYVAXULQTWOJ-IMAQQZIHSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723905 992361466 /nfs/dbraw/zinc/36/14/66/992361466.db2.gz PTSYVAXULQTWOJ-IMAQQZIHSA-N 1 3 355.526 2.841 20 0 FFADHO Cc1cccc(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)c1 ZINC001079940539 992611924 /nfs/dbraw/zinc/61/19/24/992611924.db2.gz QQHVGXDYXGUTSV-UYAOXDASSA-N 1 3 355.526 2.808 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382240 993000594 /nfs/dbraw/zinc/00/05/94/993000594.db2.gz BPDZIIUIBALMLO-RDTXWAMCSA-N 1 3 365.468 2.903 20 0 FFADHO COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1C ZINC001107042421 993296565 /nfs/dbraw/zinc/29/65/65/993296565.db2.gz MAQQQYZZQNUUBO-VQIMIIECSA-N 1 3 361.530 2.528 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001080782766 993333699 /nfs/dbraw/zinc/33/36/99/993333699.db2.gz AGHSOJQWQSRDAT-JRGCBEDISA-N 1 3 357.542 2.917 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001080782766 993333700 /nfs/dbraw/zinc/33/37/00/993333700.db2.gz AGHSOJQWQSRDAT-JRGCBEDISA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080779301 993357223 /nfs/dbraw/zinc/35/72/23/993357223.db2.gz JJKJEKPHNMYMND-GPMSIDNRSA-N 1 3 355.482 2.711 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080779301 993357229 /nfs/dbraw/zinc/35/72/29/993357229.db2.gz JJKJEKPHNMYMND-GPMSIDNRSA-N 1 3 355.482 2.711 20 0 FFADHO C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787853 993373948 /nfs/dbraw/zinc/37/39/48/993373948.db2.gz VNZGWOJXKYRKKS-YSGRDPCXSA-N 1 3 371.500 2.735 20 0 FFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3cn(C)cn3)cc2)C[C@H]1C ZINC000808402417 994114204 /nfs/dbraw/zinc/11/42/04/994114204.db2.gz BBMWQFCDDAPQBO-QZTJIDSGSA-N 1 3 356.514 2.719 20 0 FFADHO CO[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1NC(=O)c1occc1CN(C)C ZINC001082073011 994146591 /nfs/dbraw/zinc/14/65/91/994146591.db2.gz RKJDDGOJISJZPG-ATZDWAIDSA-N 1 3 371.481 2.531 20 0 FFADHO CO[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1NC(=O)c1occc1CN(C)C ZINC001082073011 994146595 /nfs/dbraw/zinc/14/65/95/994146595.db2.gz RKJDDGOJISJZPG-ATZDWAIDSA-N 1 3 371.481 2.531 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001131519778 994350164 /nfs/dbraw/zinc/35/01/64/994350164.db2.gz YAGOKIUDLVJSBZ-QSMUSEHHSA-N 1 3 365.562 2.669 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001131562537 994398194 /nfs/dbraw/zinc/39/81/94/994398194.db2.gz XVEDQWDVVUQILX-QFUCXCTJSA-N 1 3 365.562 2.647 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810616386 994839421 /nfs/dbraw/zinc/83/94/21/994839421.db2.gz SCAZQHMENGQLIS-HXUWFJFHSA-N 1 3 367.484 2.928 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)s1 ZINC001082558582 994931779 /nfs/dbraw/zinc/93/17/79/994931779.db2.gz YCFGIQBCXDZPBS-QGPMSJSTSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)s1 ZINC001082558582 994931792 /nfs/dbraw/zinc/93/17/92/994931792.db2.gz YCFGIQBCXDZPBS-QGPMSJSTSA-N 1 3 364.559 2.651 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc3cccnc32)C1)N(C)C ZINC001082747171 995301517 /nfs/dbraw/zinc/30/15/17/995301517.db2.gz BZHFEGLSHIFPHD-LZQZEXGQSA-N 1 3 354.498 2.512 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)c(C)s1 ZINC001082724851 995361427 /nfs/dbraw/zinc/36/14/27/995361427.db2.gz PJHXYGFIQTYCOY-FSPWUOQZSA-N 1 3 351.560 2.888 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc4ncccc4c3)C2)C1 ZINC001082742048 995399189 /nfs/dbraw/zinc/39/91/89/995399189.db2.gz OXIUADMKUNBDQC-CBGDNZLLSA-N 1 3 366.509 2.513 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC001082742873 995400686 /nfs/dbraw/zinc/40/06/86/995400686.db2.gz VDPSHVZQIFTPIF-CBGDNZLLSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]Cc1ccccc1 ZINC001082743261 995401971 /nfs/dbraw/zinc/40/19/71/995401971.db2.gz QIJZNDAHFFJSFK-HGHGUNKESA-N 1 3 361.505 2.836 20 0 FFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001082743759 995403549 /nfs/dbraw/zinc/40/35/49/995403549.db2.gz ADCCGLMJNGRCKE-VQIMIIECSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001082766604 995450590 /nfs/dbraw/zinc/45/05/90/995450590.db2.gz KDYPEDHXORAHJX-DNVCBOLYSA-N 1 3 354.498 2.886 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082861624 995667239 /nfs/dbraw/zinc/66/72/39/995667239.db2.gz IMMUPOWAPPOLSO-GPMSIDNRSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082861624 995667242 /nfs/dbraw/zinc/66/72/42/995667242.db2.gz IMMUPOWAPPOLSO-GPMSIDNRSA-N 1 3 363.933 2.927 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccccn2)C1)[NH+]1CCCCC1 ZINC001082943710 995882386 /nfs/dbraw/zinc/88/23/86/995882386.db2.gz YCQHXOWGOXYLMJ-RLLQIKCJSA-N 1 3 358.530 2.529 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C(C)C)[C@@H]3C2)cc1 ZINC001084339983 996469005 /nfs/dbraw/zinc/46/90/05/996469005.db2.gz OVRXMDXCLMNSGB-BHIFYINESA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C(C)C)[C@@H]3C2)cc1 ZINC001084339983 996469007 /nfs/dbraw/zinc/46/90/07/996469007.db2.gz OVRXMDXCLMNSGB-BHIFYINESA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CCN2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C(C)C)[C@@H]3C2)cc1 ZINC001084339983 996469010 /nfs/dbraw/zinc/46/90/10/996469010.db2.gz OVRXMDXCLMNSGB-BHIFYINESA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CCN2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C(C)C)[C@@H]3C2)cc1 ZINC001084339983 996469011 /nfs/dbraw/zinc/46/90/11/996469011.db2.gz OVRXMDXCLMNSGB-BHIFYINESA-N 1 3 369.553 2.943 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084545481 996665729 /nfs/dbraw/zinc/66/57/29/996665729.db2.gz LPTRZHLDBMGFID-NJDAHSKKSA-N 1 3 371.569 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001084545481 996665731 /nfs/dbraw/zinc/66/57/31/996665731.db2.gz LPTRZHLDBMGFID-NJDAHSKKSA-N 1 3 371.569 2.974 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629374 996744520 /nfs/dbraw/zinc/74/45/20/996744520.db2.gz SZFFVNFIYZZEMS-NHCUHLMSSA-N 1 3 355.526 2.624 20 0 FFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000677241273 1016135843 /nfs/dbraw/zinc/13/58/43/1016135843.db2.gz OYRCNBRBLBHMSO-UHOSZYNNSA-N 1 3 360.521 2.855 20 0 FFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000677241273 1016135847 /nfs/dbraw/zinc/13/58/47/1016135847.db2.gz OYRCNBRBLBHMSO-UHOSZYNNSA-N 1 3 360.521 2.855 20 0 FFADHO CCOc1cc(CN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)ccc1OC(F)F ZINC000903723986 1016156043 /nfs/dbraw/zinc/15/60/43/1016156043.db2.gz KKPUYGUHULWDGJ-DNVCBOLYSA-N 1 3 370.440 2.887 20 0 FFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001084941667 998248726 /nfs/dbraw/zinc/24/87/26/998248726.db2.gz WFFKNLXQTLJNMV-NRSPTQNISA-N 1 3 371.500 2.590 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790743 1016200544 /nfs/dbraw/zinc/20/05/44/1016200544.db2.gz YLIQQMUZKVQMHQ-INIZCTEOSA-N 1 3 361.530 2.912 20 0 FFADHO CN(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](C/C=C\c3ccccc3)[C@H]2C1)C1CC1 ZINC001084958039 998355962 /nfs/dbraw/zinc/35/59/62/998355962.db2.gz JEZZXIBDJMGMNA-XJYJBRALSA-N 1 3 367.537 2.963 20 0 FFADHO CN(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](C/C=C\c3ccccc3)[C@H]2C1)C1CC1 ZINC001084958039 998355976 /nfs/dbraw/zinc/35/59/76/998355976.db2.gz JEZZXIBDJMGMNA-XJYJBRALSA-N 1 3 367.537 2.963 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cncc3ccccc32)cc1 ZINC000772920088 998465585 /nfs/dbraw/zinc/46/55/85/998465585.db2.gz ATLHRFHFKCRUAL-UHFFFAOYSA-N 1 3 362.477 2.816 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017419 998684079 /nfs/dbraw/zinc/68/40/79/998684079.db2.gz FDCHZOXWPISRDH-KRQVXIAISA-N 1 3 370.541 2.543 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017419 998684083 /nfs/dbraw/zinc/68/40/83/998684083.db2.gz FDCHZOXWPISRDH-KRQVXIAISA-N 1 3 370.541 2.543 20 0 FFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085093402 998925224 /nfs/dbraw/zinc/92/52/24/998925224.db2.gz WOBIUVLJTHKDRP-POAQFYNOSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085093402 998925227 /nfs/dbraw/zinc/92/52/27/998925227.db2.gz WOBIUVLJTHKDRP-POAQFYNOSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)C23CCC[NH+]2CCC3)sn1 ZINC001085258583 999275274 /nfs/dbraw/zinc/27/52/74/999275274.db2.gz RLGYHEDUFSNUGY-IAGOWNOFSA-N 1 3 362.543 2.597 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085309248 999337675 /nfs/dbraw/zinc/33/76/75/999337675.db2.gz FKMYZRQQPWZWCG-PTKHLAPESA-N 1 3 362.518 2.539 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085309248 999337678 /nfs/dbraw/zinc/33/76/78/999337678.db2.gz FKMYZRQQPWZWCG-PTKHLAPESA-N 1 3 362.518 2.539 20 0 FFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001085331399 999375064 /nfs/dbraw/zinc/37/50/64/999375064.db2.gz IOUQYJNKGKTQCY-USXIJHARSA-N 1 3 364.921 2.736 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC001085352350 999406398 /nfs/dbraw/zinc/40/63/98/999406398.db2.gz CKOOZYOMZCUMKT-AQNXPRMDSA-N 1 3 365.562 2.693 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)C1 ZINC001085393990 999449669 /nfs/dbraw/zinc/44/96/69/999449669.db2.gz QQIRFWKEQKJKBI-GDIGMMSISA-N 1 3 365.468 2.824 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)C1 ZINC001085393990 999449672 /nfs/dbraw/zinc/44/96/72/999449672.db2.gz QQIRFWKEQKJKBI-GDIGMMSISA-N 1 3 365.468 2.824 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC001086371066 999876011 /nfs/dbraw/zinc/87/60/11/999876011.db2.gz OCUJJWTYBOMQPB-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC001086371066 999876012 /nfs/dbraw/zinc/87/60/12/999876012.db2.gz OCUJJWTYBOMQPB-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO CC[C@@H](C(=O)NC1CCN(Cc2cccc(OC)c2)CC1)[NH+](CC)CC ZINC000746139932 999951392 /nfs/dbraw/zinc/95/13/92/999951392.db2.gz RPNKQZOUWOYQID-FQEVSTJZSA-N 1 3 361.530 2.896 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](OC)C1CCCC1 ZINC001109463869 1000510049 /nfs/dbraw/zinc/51/00/49/1000510049.db2.gz AVDIIGVPQHPPMX-YDZRNGNQSA-N 1 3 365.562 2.643 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](OC)C1CCCC1 ZINC001109463869 1000510052 /nfs/dbraw/zinc/51/00/52/1000510052.db2.gz AVDIIGVPQHPPMX-YDZRNGNQSA-N 1 3 365.562 2.643 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c(Cl)c1N ZINC001146981745 1000800589 /nfs/dbraw/zinc/80/05/89/1000800589.db2.gz FHMIZGPPBJLVHA-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c(Cl)c1N ZINC001146981745 1000800594 /nfs/dbraw/zinc/80/05/94/1000800594.db2.gz FHMIZGPPBJLVHA-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cccc(F)c3Cl)C2)C1 ZINC001086875442 1001313271 /nfs/dbraw/zinc/31/32/71/1001313271.db2.gz SKNKFEOTXGNMDL-CWRNSKLLSA-N 1 3 367.896 2.805 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cccc(F)c3Cl)C2)C1 ZINC001086875442 1001313279 /nfs/dbraw/zinc/31/32/79/1001313279.db2.gz SKNKFEOTXGNMDL-CWRNSKLLSA-N 1 3 367.896 2.805 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNC/C(Cl)=C/Cl)C1 ZINC001112557393 1001468327 /nfs/dbraw/zinc/46/83/27/1001468327.db2.gz DMIJUMDIHNIPFI-LBRHBIIVSA-N 1 3 362.345 2.866 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNC/C(Cl)=C/Cl)C1 ZINC001112557393 1001468329 /nfs/dbraw/zinc/46/83/29/1001468329.db2.gz DMIJUMDIHNIPFI-LBRHBIIVSA-N 1 3 362.345 2.866 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccs2)C1 ZINC001112567390 1001498357 /nfs/dbraw/zinc/49/83/57/1001498357.db2.gz MIULUJDIXPJWQP-LPHOPBHVSA-N 1 3 364.559 2.593 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccs2)C1 ZINC001112567390 1001498358 /nfs/dbraw/zinc/49/83/58/1001498358.db2.gz MIULUJDIXPJWQP-LPHOPBHVSA-N 1 3 364.559 2.593 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001182433442 1001863696 /nfs/dbraw/zinc/86/36/96/1001863696.db2.gz GXXHRESQHXXABZ-FXAWDEMLSA-N 1 3 361.530 2.973 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013667 1002286564 /nfs/dbraw/zinc/28/65/64/1002286564.db2.gz WGUADMVLFNHSLW-ZEYPLWLESA-N 1 3 369.553 2.871 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013667 1002286573 /nfs/dbraw/zinc/28/65/73/1002286573.db2.gz WGUADMVLFNHSLW-ZEYPLWLESA-N 1 3 369.553 2.871 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC001092050396 1002321312 /nfs/dbraw/zinc/32/13/12/1002321312.db2.gz UCFYGLJUHRYXCP-RKVPGOIHSA-N 1 3 366.456 2.558 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CC[C@H]1CCCC1(F)F)C2 ZINC001092050396 1002321322 /nfs/dbraw/zinc/32/13/22/1002321322.db2.gz UCFYGLJUHRYXCP-RKVPGOIHSA-N 1 3 366.456 2.558 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnccc3C)C[C@@]2(C)C1 ZINC001092301803 1002632657 /nfs/dbraw/zinc/63/26/57/1002632657.db2.gz NWFHNUWURAXEPB-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnccc3C)C[C@@]2(C)C1 ZINC001092301803 1002632661 /nfs/dbraw/zinc/63/26/61/1002632661.db2.gz NWFHNUWURAXEPB-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1c1ccccc1)C12CCCN1CCC2 ZINC001086597407 1002662697 /nfs/dbraw/zinc/66/26/97/1002662697.db2.gz CZGLYLHAGBAWSD-LEWJYISDSA-N 1 3 367.537 2.999 20 0 FFADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1c1ccccc1)C12CCCN1CCC2 ZINC001086597407 1002662704 /nfs/dbraw/zinc/66/27/04/1002662704.db2.gz CZGLYLHAGBAWSD-LEWJYISDSA-N 1 3 367.537 2.999 20 0 FFADHO C[NH+]1CCC(CN2CCN([C@@H]3CCc4c(F)cc(F)cc4C3)CC2)CC1 ZINC001171381065 1003195878 /nfs/dbraw/zinc/19/58/78/1003195878.db2.gz AQMLQWOJBHFLEB-LJQANCHMSA-N 1 3 363.496 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3F)C[C@H]2C)CC[N@@H+]1C ZINC001092618706 1003314185 /nfs/dbraw/zinc/31/41/85/1003314185.db2.gz ZALFGOUGFVNMPC-PHXBYCTMSA-N 1 3 361.505 2.740 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3F)C[C@H]2C)CC[N@H+]1C ZINC001092618706 1003314192 /nfs/dbraw/zinc/31/41/92/1003314192.db2.gz ZALFGOUGFVNMPC-PHXBYCTMSA-N 1 3 361.505 2.740 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001086620085 1003558138 /nfs/dbraw/zinc/55/81/38/1003558138.db2.gz XSPQVNYLAGEDFK-HLAWJBBLSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086620085 1003558147 /nfs/dbraw/zinc/55/81/47/1003558147.db2.gz XSPQVNYLAGEDFK-HLAWJBBLSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)C(=O)NC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678139788 1016821259 /nfs/dbraw/zinc/82/12/59/1016821259.db2.gz IZKOMRCHIUDKML-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cncc4cc[nH]c43)cc2)CC1 ZINC001170493797 1004191749 /nfs/dbraw/zinc/19/17/49/1004191749.db2.gz RJBKNSHKWHQNIG-QQFBHYJXSA-N 1 3 363.465 2.935 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cc4cncnc4cn3)c3ccccc23)CC1 ZINC001170526273 1004607629 /nfs/dbraw/zinc/60/76/29/1004607629.db2.gz XFWUVQAHJSPEPH-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO CN(C)c1ccncc1C[NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC001199190146 1004863148 /nfs/dbraw/zinc/86/31/48/1004863148.db2.gz UMZANQXCVNGUTE-JOCHJYFZSA-N 1 3 367.541 2.616 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@@H]2C1 ZINC001489205060 1005431747 /nfs/dbraw/zinc/43/17/47/1005431747.db2.gz CNGFQNZRLNURQM-MSOLQXFVSA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@@H]2C1 ZINC001489205060 1005431748 /nfs/dbraw/zinc/43/17/48/1005431748.db2.gz CNGFQNZRLNURQM-MSOLQXFVSA-N 1 3 371.516 2.934 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c(C)s1 ZINC001097080145 1017004772 /nfs/dbraw/zinc/00/47/72/1017004772.db2.gz UBSAQEIHOFEHNW-WTGUMLROSA-N 1 3 373.566 2.928 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000813877382 1006069131 /nfs/dbraw/zinc/06/91/31/1006069131.db2.gz ULQJNDFBNXVCGG-BRSBDYLESA-N 1 3 369.550 2.578 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000678285215 1017028210 /nfs/dbraw/zinc/02/82/10/1017028210.db2.gz PSBBTIZCQMAJPK-FQEVSTJZSA-N 1 3 359.514 2.512 20 0 FFADHO Cc1ccc(F)cc1CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134121347 1006177759 /nfs/dbraw/zinc/17/77/59/1006177759.db2.gz YIIGDWPQCJZPMB-RTWAWAEBSA-N 1 3 369.484 2.685 20 0 FFADHO Cc1ccc(F)cc1CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134121347 1006177771 /nfs/dbraw/zinc/17/77/71/1006177771.db2.gz YIIGDWPQCJZPMB-RTWAWAEBSA-N 1 3 369.484 2.685 20 0 FFADHO CN1CCC[C@@H]1CC[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000129168891 1006190795 /nfs/dbraw/zinc/19/07/95/1006190795.db2.gz LSOKOPVTGXDXEU-QGZVFWFLSA-N 1 3 369.550 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c(C)c1 ZINC001097101812 1017039140 /nfs/dbraw/zinc/03/91/40/1017039140.db2.gz YNDVNPGWSPBUCW-MLZLACJZSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c(C)c1 ZINC001097101812 1017039149 /nfs/dbraw/zinc/03/91/49/1017039149.db2.gz YNDVNPGWSPBUCW-MLZLACJZSA-N 1 3 355.526 2.865 20 0 FFADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000747974648 1006417974 /nfs/dbraw/zinc/41/79/74/1006417974.db2.gz FVVJNKWLIYURPV-QZTJIDSGSA-N 1 3 373.545 2.781 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883172832 1006684531 /nfs/dbraw/zinc/68/45/31/1006684531.db2.gz UVRURURRBINNBO-NRFANRHFSA-N 1 3 363.521 2.911 20 0 FFADHO COC(=O)c1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n(C)c1C ZINC000883344307 1006759733 /nfs/dbraw/zinc/75/97/33/1006759733.db2.gz VLVZHOLCHWFYQC-HNNXBMFYSA-N 1 3 373.497 2.911 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3cc(F)ccc3C)C[C@H]21 ZINC001189890486 1007357264 /nfs/dbraw/zinc/35/72/64/1007357264.db2.gz DGCKADZTHCAPMZ-FXAWDEMLSA-N 1 3 361.505 2.899 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3cc(F)ccc3C)C[C@H]21 ZINC001189890486 1007357278 /nfs/dbraw/zinc/35/72/78/1007357278.db2.gz DGCKADZTHCAPMZ-FXAWDEMLSA-N 1 3 361.505 2.899 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001116257314 1032221818 /nfs/dbraw/zinc/22/18/18/1032221818.db2.gz MXNSENVMMHYJDS-GSEOLPGOSA-N 1 3 358.530 2.821 20 0 FFADHO CCC(N)(CC)C[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817960512 1007825799 /nfs/dbraw/zinc/82/57/99/1007825799.db2.gz MIZPIESESDMSAX-AEFFLSMTSA-N 1 3 363.502 2.520 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCC[NH2+]C1 ZINC000817983462 1007837074 /nfs/dbraw/zinc/83/70/74/1007837074.db2.gz DWFJJEQVXFBDGG-IAGOWNOFSA-N 1 3 357.498 2.963 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CC[N@H+](CCCCn3ccnc3C)C2)ccn1 ZINC000856585258 1007897960 /nfs/dbraw/zinc/89/79/60/1007897960.db2.gz BUMYAQUFPIJVEJ-NRFANRHFSA-N 1 3 371.529 2.972 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CC[N@@H+](CCCCn3ccnc3C)C2)ccn1 ZINC000856585258 1007897966 /nfs/dbraw/zinc/89/79/66/1007897966.db2.gz BUMYAQUFPIJVEJ-NRFANRHFSA-N 1 3 371.529 2.972 20 0 FFADHO Cc1cc(C)n(CC[N@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)n1 ZINC000856599381 1007910566 /nfs/dbraw/zinc/91/05/66/1007910566.db2.gz HXXJNPWVHJDUDG-NRFANRHFSA-N 1 3 371.529 2.888 20 0 FFADHO Cc1cc(C)n(CC[N@@H+]2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)n1 ZINC000856599381 1007910572 /nfs/dbraw/zinc/91/05/72/1007910572.db2.gz HXXJNPWVHJDUDG-NRFANRHFSA-N 1 3 371.529 2.888 20 0 FFADHO Cc1cc(C)cc([C@H](O)CNCc2ccncc2OCCC[NH+](C)C)c1 ZINC000819315571 1008111204 /nfs/dbraw/zinc/11/12/04/1008111204.db2.gz HYPMZMDTVSKPTA-HXUWFJFHSA-N 1 3 357.498 2.852 20 0 FFADHO Cc1ccccc1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000820067894 1008276747 /nfs/dbraw/zinc/27/67/47/1008276747.db2.gz CWZYNLMOUOMHEP-SFHVURJKSA-N 1 3 360.546 2.941 20 0 FFADHO Cc1ccccc1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000820067894 1008276752 /nfs/dbraw/zinc/27/67/52/1008276752.db2.gz CWZYNLMOUOMHEP-SFHVURJKSA-N 1 3 360.546 2.941 20 0 FFADHO c1ncn(-c2ccccc2C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)n1 ZINC001177669058 1008698642 /nfs/dbraw/zinc/69/86/42/1008698642.db2.gz OSNHCAAEZQLUJQ-HXUWFJFHSA-N 1 3 361.493 2.922 20 0 FFADHO CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1cnn(C)c1 ZINC000886508883 1008707319 /nfs/dbraw/zinc/70/73/19/1008707319.db2.gz QTGKPHQVPKPFFT-OAQYLSRUSA-N 1 3 355.530 2.654 20 0 FFADHO CC(C)[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000886524585 1008719025 /nfs/dbraw/zinc/71/90/25/1008719025.db2.gz MYHFEUPAMIJPSZ-OAQYLSRUSA-N 1 3 356.514 2.864 20 0 FFADHO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CN1CCOCC1 ZINC000886530245 1008720732 /nfs/dbraw/zinc/72/07/32/1008720732.db2.gz GZPWSABOMLVGKW-QESAQDPVSA-N 1 3 357.542 2.597 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001178172122 1008911115 /nfs/dbraw/zinc/91/11/15/1008911115.db2.gz XJOWDOVPWHDWIB-HZPDHXFCSA-N 1 3 358.404 2.895 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000886971320 1008968614 /nfs/dbraw/zinc/96/86/14/1008968614.db2.gz TXMLSWRYKHQXJS-LJQANCHMSA-N 1 3 372.513 2.830 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4ncn(C)c4c3)CC2)CC1 ZINC001178832311 1009144106 /nfs/dbraw/zinc/14/41/06/1009144106.db2.gz QCXHWXINLUAOFK-UHFFFAOYSA-N 1 3 369.513 2.708 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001179371221 1009328198 /nfs/dbraw/zinc/32/81/98/1009328198.db2.gz HTEKYLYUKIFBHA-IBGZPJMESA-N 1 3 355.526 2.942 20 0 FFADHO COC(=O)c1cc(CN2CCC(C[NH3+])(c3ccccc3)CC2)ccc1OC ZINC001206755614 1032409410 /nfs/dbraw/zinc/40/94/10/1032409410.db2.gz OGZBPASTRNOZKY-UHFFFAOYSA-N 1 3 368.477 2.974 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1 ZINC001180629167 1009774125 /nfs/dbraw/zinc/77/41/25/1009774125.db2.gz PAHJAOHVTHUMQD-UHFFFAOYSA-N 1 3 374.529 2.571 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1-c1ncco1 ZINC000889010069 1009797648 /nfs/dbraw/zinc/79/76/48/1009797648.db2.gz XWGZGSICWCKHJU-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1-c1ncco1 ZINC000889010069 1009797656 /nfs/dbraw/zinc/79/76/56/1009797656.db2.gz XWGZGSICWCKHJU-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(CNC/C(Cl)=C/Cl)C2)CC[N@@H+]1C ZINC001181525601 1010133671 /nfs/dbraw/zinc/13/36/71/1010133671.db2.gz NKIHGBIFXMZQNW-QLCRPNEDSA-N 1 3 362.345 2.720 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@](C)(CNC/C(Cl)=C/Cl)C2)CC[N@H+]1C ZINC001181525601 1010133681 /nfs/dbraw/zinc/13/36/81/1010133681.db2.gz NKIHGBIFXMZQNW-QLCRPNEDSA-N 1 3 362.345 2.720 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1C ZINC001093225740 1010170700 /nfs/dbraw/zinc/17/07/00/1010170700.db2.gz QRIOIWQRCYQXFC-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1C ZINC001093225740 1010170703 /nfs/dbraw/zinc/17/07/03/1010170703.db2.gz QRIOIWQRCYQXFC-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccc(Cl)cc1F ZINC001093673729 1010455806 /nfs/dbraw/zinc/45/58/06/1010455806.db2.gz VPJGFXMJWVDOEB-DDUZABMNSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CNCc1cscn1 ZINC001093770593 1010542482 /nfs/dbraw/zinc/54/24/82/1010542482.db2.gz YQNMJTZGNWFCSF-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001093821234 1010592228 /nfs/dbraw/zinc/59/22/28/1010592228.db2.gz XWQDABDQOJAOFH-OWCLPIDISA-N 1 3 357.489 2.590 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2oc(C(C)C)nc2C)[C@H](C)C1)N(C)C ZINC001093858871 1010635092 /nfs/dbraw/zinc/63/50/92/1010635092.db2.gz KTLCCEGRKAGWEL-DJIMGWMZSA-N 1 3 364.534 2.631 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)[C@H](C)C1)N(C)C ZINC001093859252 1010635214 /nfs/dbraw/zinc/63/52/14/1010635214.db2.gz QABMNKDIFLYLLF-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)cs1 ZINC001093962368 1010731287 /nfs/dbraw/zinc/73/12/87/1010731287.db2.gz XBOKZWGLDXMFJB-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001094042110 1010803682 /nfs/dbraw/zinc/80/36/82/1010803682.db2.gz JUBDWJIBYMDITA-YQVWRLOYSA-N 1 3 361.505 2.660 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001094131096 1010877313 /nfs/dbraw/zinc/87/73/13/1010877313.db2.gz NHCBVWAXFJAYNM-IEBWSBKVSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711008 1011041344 /nfs/dbraw/zinc/04/13/44/1011041344.db2.gz ZIXXZKSFBJQFBY-SRMUXQRQSA-N 1 3 369.387 2.633 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ccccn2)CC3)CC[N@@H+]1C ZINC001094496753 1011157647 /nfs/dbraw/zinc/15/76/47/1011157647.db2.gz HBDUNZDMIMQFST-GWOFKNCZSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ccccn2)CC3)CC[N@H+]1C ZINC001094496753 1011157652 /nfs/dbraw/zinc/15/76/52/1011157652.db2.gz HBDUNZDMIMQFST-GWOFKNCZSA-N 1 3 370.541 2.673 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(C2COC2)[C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171522248 1011369205 /nfs/dbraw/zinc/36/92/05/1011369205.db2.gz VHKTYCAYYMMUIW-IHRRRGAJSA-N 1 3 354.416 2.932 20 0 FFADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)C3CCOCC3)CC2)CC1(C)C ZINC001171625069 1011410813 /nfs/dbraw/zinc/41/08/13/1011410813.db2.gz ASILATCYOVJQTM-UHFFFAOYSA-N 1 3 365.562 2.645 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005862 1011563821 /nfs/dbraw/zinc/56/38/21/1011563821.db2.gz RQRVQJLCTFNIDE-QGZVFWFLSA-N 1 3 361.917 2.829 20 0 FFADHO OCCN1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172072394 1011609426 /nfs/dbraw/zinc/60/94/26/1011609426.db2.gz LZIJVDPCPWFSCK-DKUWSORSSA-N 1 3 357.542 2.618 20 0 FFADHO CN(CCN1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075197 1011612066 /nfs/dbraw/zinc/61/20/66/1011612066.db2.gz BZDAPSPQIQUCEL-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO CN(CCN1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075197 1011612071 /nfs/dbraw/zinc/61/20/71/1011612071.db2.gz BZDAPSPQIQUCEL-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO C[N@H+](CCN1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075197 1011612079 /nfs/dbraw/zinc/61/20/79/1011612079.db2.gz BZDAPSPQIQUCEL-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO C[N@@H+](CCN1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075197 1011612083 /nfs/dbraw/zinc/61/20/83/1011612083.db2.gz BZDAPSPQIQUCEL-ZBYYUNFXSA-N 1 3 357.542 2.836 20 0 FFADHO COC(=O)C1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172091004 1011623844 /nfs/dbraw/zinc/62/38/44/1011623844.db2.gz ZMUUVNQWFKJGOL-ACDBMABISA-N 1 3 372.509 2.572 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172114264 1011643105 /nfs/dbraw/zinc/64/31/05/1011643105.db2.gz MSHXXLXWXRXQAS-ZJPYXAASSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172114264 1011643115 /nfs/dbraw/zinc/64/31/15/1011643115.db2.gz MSHXXLXWXRXQAS-ZJPYXAASSA-N 1 3 367.534 2.617 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C[C@@H](c4cncnc4)CO3)CC1)C2 ZINC001172118810 1011652235 /nfs/dbraw/zinc/65/22/35/1011652235.db2.gz QMUJUNNHDWQMKP-LMCOJAPRSA-N 1 3 356.514 2.830 20 0 FFADHO COCCC[NH+]1CCC(N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001172257188 1011734605 /nfs/dbraw/zinc/73/46/05/1011734605.db2.gz LLYIPTQWPZGSHV-FQEVSTJZSA-N 1 3 369.550 2.724 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000646256257 1011819162 /nfs/dbraw/zinc/81/91/62/1011819162.db2.gz VMNVNDPIEKXGJS-APWZRJJASA-N 1 3 367.497 2.718 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000646337323 1011861855 /nfs/dbraw/zinc/86/18/55/1011861855.db2.gz ZAOPZBVXSGOGRC-DUXKGJEZSA-N 1 3 355.526 2.540 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646379110 1011889831 /nfs/dbraw/zinc/88/98/31/1011889831.db2.gz MLKRURCIPGSQGX-NJDAHSKKSA-N 1 3 370.541 2.532 20 0 FFADHO COC(=O)N1CCC([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)CC1 ZINC001172737988 1011972236 /nfs/dbraw/zinc/97/22/36/1011972236.db2.gz NVQTWHKNWMPQLQ-UHFFFAOYSA-N 1 3 372.513 2.600 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001172781711 1012011952 /nfs/dbraw/zinc/01/19/52/1012011952.db2.gz YDOFJBWIZCPGCH-QZTJIDSGSA-N 1 3 352.519 2.589 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221969230 1032595222 /nfs/dbraw/zinc/59/52/22/1032595222.db2.gz YDCHVRLQICPTJL-RTBURBONSA-N 1 3 363.571 2.945 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221969230 1032595225 /nfs/dbraw/zinc/59/52/25/1032595225.db2.gz YDCHVRLQICPTJL-RTBURBONSA-N 1 3 363.571 2.945 20 0 FFADHO CC(C)(C)OC(=O)CN1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001172893277 1012092555 /nfs/dbraw/zinc/09/25/55/1012092555.db2.gz ZKCNJVPFTFJNDS-UHFFFAOYSA-N 1 3 365.562 2.743 20 0 FFADHO CCCN1C[C@@H]2C[N@H+](C3CCN(C(=O)c4ccc(F)cc4)CC3)C[C@@H]2C1 ZINC001173004712 1012174680 /nfs/dbraw/zinc/17/46/80/1012174680.db2.gz FCEUADZAMGCKAE-HDICACEKSA-N 1 3 359.489 2.704 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+](C3CCN(C(=O)c4ccc(F)cc4)CC3)C[C@@H]2C1 ZINC001173004712 1012174707 /nfs/dbraw/zinc/17/47/07/1012174707.db2.gz FCEUADZAMGCKAE-HDICACEKSA-N 1 3 359.489 2.704 20 0 FFADHO c1nc2c(s1)C[C@@H]([N@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)CC2 ZINC001173138287 1012284732 /nfs/dbraw/zinc/28/47/32/1012284732.db2.gz NMSFOCXPWSQZRS-JENIJYKNSA-N 1 3 361.555 2.823 20 0 FFADHO c1nc2c(s1)C[C@@H]([N@@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)CC2 ZINC001173138287 1012284741 /nfs/dbraw/zinc/28/47/41/1012284741.db2.gz NMSFOCXPWSQZRS-JENIJYKNSA-N 1 3 361.555 2.823 20 0 FFADHO c1nc2c(s1)C[C@@H](N1C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C1)CC2 ZINC001173138287 1012284751 /nfs/dbraw/zinc/28/47/51/1012284751.db2.gz NMSFOCXPWSQZRS-JENIJYKNSA-N 1 3 361.555 2.823 20 0 FFADHO c1nc2c(s1)C[C@@H](N1C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C1)CC2 ZINC001173138287 1012284767 /nfs/dbraw/zinc/28/47/67/1012284767.db2.gz NMSFOCXPWSQZRS-JENIJYKNSA-N 1 3 361.555 2.823 20 0 FFADHO COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001275344343 1012343054 /nfs/dbraw/zinc/34/30/54/1012343054.db2.gz YEJMXBWZNVUJHB-GOSISDBHSA-N 1 3 365.562 2.506 20 0 FFADHO CN(C)[C@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)Cc1ccccc1 ZINC000870854192 1012605539 /nfs/dbraw/zinc/60/55/39/1012605539.db2.gz OAXZETGXOIYRQP-KRWDZBQOSA-N 1 3 372.538 2.513 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)Cc1ccccc1 ZINC000870854194 1012606367 /nfs/dbraw/zinc/60/63/67/1012606367.db2.gz OAXZETGXOIYRQP-QGZVFWFLSA-N 1 3 372.538 2.513 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])NC1Cc2cc(F)c(F)cc2C1 ZINC001173478686 1012606797 /nfs/dbraw/zinc/60/67/97/1012606797.db2.gz VGUQBKUTWOVZLS-MRXNPFEDSA-N 1 3 355.429 2.611 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(=O)OCc3ccccc3)CC2)C1 ZINC001173463422 1012633030 /nfs/dbraw/zinc/63/30/30/1012633030.db2.gz HTJGLRWVJVFPOJ-LEWJYISDSA-N 1 3 373.541 2.657 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC[C@H]1[NH3+] ZINC000647938156 1012635364 /nfs/dbraw/zinc/63/53/64/1012635364.db2.gz HINGFOQMHXPZBT-PKOBYXMFSA-N 1 3 369.513 2.877 20 0 FFADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976316 1012652216 /nfs/dbraw/zinc/65/22/16/1012652216.db2.gz MZZRLRFRBNMFDE-RCCFBDPRSA-N 1 3 362.518 3.192 20 0 FFADHO CCOCc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977638 1012654681 /nfs/dbraw/zinc/65/46/81/1012654681.db2.gz FOLPHISDNCYYCF-NHCUHLMSSA-N 1 3 373.541 2.551 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCC1(c2ccccc2)CC1 ZINC000647976168 1012654990 /nfs/dbraw/zinc/65/49/90/1012654990.db2.gz LCTFYMSTUJJHML-RBUKOAKNSA-N 1 3 355.526 2.546 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2F)CC1 ZINC000871012523 1012679345 /nfs/dbraw/zinc/67/93/45/1012679345.db2.gz XCEGRWFPPYIFOP-IBGZPJMESA-N 1 3 356.445 2.606 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1=O ZINC001275618644 1012716640 /nfs/dbraw/zinc/71/66/40/1012716640.db2.gz SDBSNYKPTHJEMO-FQEVSTJZSA-N 1 3 355.507 2.800 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1=O ZINC001275618644 1012716659 /nfs/dbraw/zinc/71/66/59/1012716659.db2.gz SDBSNYKPTHJEMO-FQEVSTJZSA-N 1 3 355.507 2.800 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000648169688 1012768723 /nfs/dbraw/zinc/76/87/23/1012768723.db2.gz LDKZOBGJFNZBIR-HBMCJLEFSA-N 1 3 371.525 2.584 20 0 FFADHO Fc1ccccc1CN1CCC(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173739447 1012931516 /nfs/dbraw/zinc/93/15/16/1012931516.db2.gz GRWLGJMZHRKHJQ-RBUKOAKNSA-N 1 3 372.492 2.798 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](CCCc3ccccc3F)CC2)C1=O ZINC001275751534 1012961343 /nfs/dbraw/zinc/96/13/43/1012961343.db2.gz AJBGFILQQNFFIM-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1=CCN(C)CC1 ZINC000679710837 1017582987 /nfs/dbraw/zinc/58/29/87/1017582987.db2.gz ROCUOHBWVOINCO-GOSISDBHSA-N 1 3 362.562 2.934 20 0 FFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925512917 1017772006 /nfs/dbraw/zinc/77/20/06/1017772006.db2.gz GRJQQFVSIYNNMH-FGZHOGPDSA-N 1 3 357.542 2.777 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)CC2)nc(C)n1 ZINC000925543838 1017780605 /nfs/dbraw/zinc/78/06/05/1017780605.db2.gz XBCFVTVZIHFUSV-WOJBJXKFSA-N 1 3 357.546 2.820 20 0 FFADHO O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925570832 1017790194 /nfs/dbraw/zinc/79/01/94/1017790194.db2.gz GOAFUWYVSLXUKO-MSOLQXFVSA-N 1 3 357.498 2.560 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000925780147 1017847621 /nfs/dbraw/zinc/84/76/21/1017847621.db2.gz OYHXPEPLLDGCGS-UOXRKKOCSA-N 1 3 374.435 2.750 20 0 FFADHO O=C1Nc2ccccc2C12CCC(N[C@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925795780 1017851190 /nfs/dbraw/zinc/85/11/90/1017851190.db2.gz PVYCYJYNHSJEFK-PSCUFVCCSA-N 1 3 369.509 2.567 20 0 FFADHO CC(=O)Nc1cccc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000925808921 1017853751 /nfs/dbraw/zinc/85/37/51/1017853751.db2.gz NTISRYDRQIBPKU-KRWDZBQOSA-N 1 3 366.509 2.901 20 0 FFADHO Cc1c([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1-c1ccccc1 ZINC000925855083 1017875887 /nfs/dbraw/zinc/87/58/87/1017875887.db2.gz OFHDDWBUYWLCEM-YJBOKZPZSA-N 1 3 368.481 2.517 20 0 FFADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(OC(F)(F)F)c1 ZINC000925856553 1017876453 /nfs/dbraw/zinc/87/64/53/1017876453.db2.gz SINLSURZRSVLJW-SWLSCSKDSA-N 1 3 372.387 2.921 20 0 FFADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(OC(F)(F)F)c1 ZINC000925856551 1017877141 /nfs/dbraw/zinc/87/71/41/1017877141.db2.gz SINLSURZRSVLJW-IUODEOHRSA-N 1 3 372.387 2.921 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C[NH3+])[C@H](C)C3)c(C)c2)CC1 ZINC000925916569 1017901688 /nfs/dbraw/zinc/90/16/88/1017901688.db2.gz SCZIUOFPZYHWTG-QZTJIDSGSA-N 1 3 373.545 2.586 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)ccc1OC ZINC000927152904 1018383222 /nfs/dbraw/zinc/38/32/22/1018383222.db2.gz WKVSDKZHGBFBIF-QAPCUYQASA-N 1 3 371.529 2.874 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)c2)CC1 ZINC000681183021 1018401129 /nfs/dbraw/zinc/40/11/29/1018401129.db2.gz RBWCLDYEQNNXOC-LJQANCHMSA-N 1 3 373.545 2.823 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3c(C)cc(OC)c(C)c3C)C[C@@H]1C[NH2+]CCC2 ZINC001222130327 1032775648 /nfs/dbraw/zinc/77/56/48/1032775648.db2.gz CKHLUFSHUAQDPZ-AVRDEDQJSA-N 1 3 374.525 2.985 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@@H]5COC[C@H]5O4)CC[C@@H]32)cc1 ZINC000929842849 1019683411 /nfs/dbraw/zinc/68/34/11/1019683411.db2.gz DMXGFUOIXPJKFD-LXHROKJGSA-N 1 3 356.510 2.777 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4C[C@@H]5COC[C@H]5O4)CC[C@@H]32)cc1 ZINC000929842849 1019683416 /nfs/dbraw/zinc/68/34/16/1019683416.db2.gz DMXGFUOIXPJKFD-LXHROKJGSA-N 1 3 356.510 2.777 20 0 FFADHO Cc1cccc(C)c1OCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980017 1019824127 /nfs/dbraw/zinc/82/41/27/1019824127.db2.gz NGRVIQCXQZKWPG-AQNXPRMDSA-N 1 3 373.541 2.746 20 0 FFADHO CCNc1ccccc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000902255701 1020018680 /nfs/dbraw/zinc/01/86/80/1020018680.db2.gz DXSSIUFQPHXNTN-UHFFFAOYSA-N 1 3 354.498 2.700 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@@H](O)[C@H](CO)C1)c1ccccc1 ZINC000930736328 1020154743 /nfs/dbraw/zinc/15/47/43/1020154743.db2.gz ISFPAUUOUUKTBE-XPWALMASSA-N 1 3 368.521 2.577 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@H+]1CC[C@@H](O)[C@H](CO)C1)c1ccccc1 ZINC000930736328 1020154751 /nfs/dbraw/zinc/15/47/51/1020154751.db2.gz ISFPAUUOUUKTBE-XPWALMASSA-N 1 3 368.521 2.577 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(CO[C@H]2CC[NH2+]C[C@@H]2F)O1 ZINC001217839472 1032882813 /nfs/dbraw/zinc/88/28/13/1032882813.db2.gz PKNTVAKOYVFYJP-BJLQDIEVSA-N 1 3 350.478 2.773 20 0 FFADHO Cc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001096355811 1020206096 /nfs/dbraw/zinc/20/60/96/1020206096.db2.gz DGGFKRLWQHRWDE-LMCOJAPRSA-N 1 3 353.510 2.873 20 0 FFADHO C[C@H](c1cccc(F)c1)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752731 1020303755 /nfs/dbraw/zinc/30/37/55/1020303755.db2.gz YXCDUAZLUFOKLC-GPMSIDNRSA-N 1 3 359.489 2.761 20 0 FFADHO C[C@H](c1cccc(F)c1)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752731 1020303763 /nfs/dbraw/zinc/30/37/63/1020303763.db2.gz YXCDUAZLUFOKLC-GPMSIDNRSA-N 1 3 359.489 2.761 20 0 FFADHO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CCN(CCc2ccccn2)CC1 ZINC000900466113 1020432469 /nfs/dbraw/zinc/43/24/69/1020432469.db2.gz WVLLFGHGZHBCCP-SFTDATJTSA-N 1 3 370.541 2.564 20 0 FFADHO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CCN(CCc2ccccn2)CC1 ZINC000900466113 1020432474 /nfs/dbraw/zinc/43/24/74/1020432474.db2.gz WVLLFGHGZHBCCP-SFTDATJTSA-N 1 3 370.541 2.564 20 0 FFADHO COc1ccc2c(c1)C[C@H](C)C[C@@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000902795508 1020481680 /nfs/dbraw/zinc/48/16/80/1020481680.db2.gz DCKINIMYOGWKAK-KKSFZXQISA-N 1 3 373.541 2.851 20 0 FFADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(-n2ccnc2)c1 ZINC000902881380 1020543767 /nfs/dbraw/zinc/54/37/67/1020543767.db2.gz PFRRDCGJDHYRCN-ORYQWCPZSA-N 1 3 354.498 2.901 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccccc3OC3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001074661788 1020663223 /nfs/dbraw/zinc/66/32/23/1020663223.db2.gz LUMRYWLZMDIMPQ-GJJHYRHESA-N 1 3 371.525 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccccc3OC3CC3)[C@@H]2C)CC[N@H+]1C ZINC001074661788 1020663230 /nfs/dbraw/zinc/66/32/30/1020663230.db2.gz LUMRYWLZMDIMPQ-GJJHYRHESA-N 1 3 371.525 2.647 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c(C)s1 ZINC001098219530 1020740731 /nfs/dbraw/zinc/74/07/31/1020740731.db2.gz IPEGBUBVPCSNTG-AITUJVMLSA-N 1 3 361.555 2.928 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c(C)s1 ZINC001098219530 1020740733 /nfs/dbraw/zinc/74/07/33/1020740733.db2.gz IPEGBUBVPCSNTG-AITUJVMLSA-N 1 3 361.555 2.928 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000903356742 1020803303 /nfs/dbraw/zinc/80/33/03/1020803303.db2.gz UUGNCEPCPWYPRB-COPCDDAFSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000903356742 1020803307 /nfs/dbraw/zinc/80/33/07/1020803307.db2.gz UUGNCEPCPWYPRB-COPCDDAFSA-N 1 3 368.525 2.926 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000934430714 1021235922 /nfs/dbraw/zinc/23/59/22/1021235922.db2.gz XORIETAWRNCHLI-HXUWFJFHSA-N 1 3 359.514 2.702 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099535 1021759369 /nfs/dbraw/zinc/75/93/69/1021759369.db2.gz LSAQUHLBQLBEMW-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122619 1021864278 /nfs/dbraw/zinc/86/42/78/1021864278.db2.gz CLXLMGKANVSRMH-NRJQMVOHSA-N 1 3 371.500 2.953 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCc3ccccc32)C1 ZINC001099506495 1022646071 /nfs/dbraw/zinc/64/60/71/1022646071.db2.gz PFCOVLXQYQBPEI-XJABCFGWSA-N 1 3 364.493 2.858 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001099506319 1022646101 /nfs/dbraw/zinc/64/61/01/1022646101.db2.gz PCJLRBFGRHQFIE-UWJYYQICSA-N 1 3 370.472 2.818 20 0 FFADHO Brc1cccc(CCC[N@@H+]2CCNC[C@]3(CCCCN3)C2)c1 ZINC001222666908 1033101340 /nfs/dbraw/zinc/10/13/40/1033101340.db2.gz BUCURIRQFFAHDS-GOSISDBHSA-N 1 3 366.347 2.799 20 0 FFADHO Brc1cccc(CCC[N@H+]2CCNC[C@]3(CCCCN3)C2)c1 ZINC001222666908 1033101349 /nfs/dbraw/zinc/10/13/49/1033101349.db2.gz BUCURIRQFFAHDS-GOSISDBHSA-N 1 3 366.347 2.799 20 0 FFADHO Brc1cccc(CCCN2CC[NH2+]C[C@]3(CCCCN3)C2)c1 ZINC001222666908 1033101357 /nfs/dbraw/zinc/10/13/57/1033101357.db2.gz BUCURIRQFFAHDS-GOSISDBHSA-N 1 3 366.347 2.799 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC001120535222 1023353299 /nfs/dbraw/zinc/35/32/99/1023353299.db2.gz FPMBYAOZTRBWAW-HNKHHVNMSA-N 1 3 372.435 2.599 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000191606215 1023876920 /nfs/dbraw/zinc/87/69/20/1023876920.db2.gz MSWAPJXSLQDWOG-LJQANCHMSA-N 1 3 372.557 2.880 20 0 FFADHO [NH3+][C@@H]1CCCn2nc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)cc21 ZINC001121904029 1024154873 /nfs/dbraw/zinc/15/48/73/1024154873.db2.gz POQREUCOKCMHMT-IEBWSBKVSA-N 1 3 367.497 2.634 20 0 FFADHO [NH3+]CC[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)c2ccccc21 ZINC001122108760 1024342879 /nfs/dbraw/zinc/34/28/79/1024342879.db2.gz HREAGURHESVKNB-MOPGFXCFSA-N 1 3 364.493 2.773 20 0 FFADHO [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c2ccccc21 ZINC001122108763 1024343116 /nfs/dbraw/zinc/34/31/16/1024343116.db2.gz HREAGURHESVKNB-RTBURBONSA-N 1 3 364.493 2.773 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001101398087 1024632472 /nfs/dbraw/zinc/63/24/72/1024632472.db2.gz XATPWOSYFSSESH-YMSXEFGBSA-N 1 3 355.526 2.822 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001101398087 1024632475 /nfs/dbraw/zinc/63/24/75/1024632475.db2.gz XATPWOSYFSSESH-YMSXEFGBSA-N 1 3 355.526 2.822 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001101438480 1024743423 /nfs/dbraw/zinc/74/34/23/1024743423.db2.gz ARRCJOFIHABYGZ-BPGJKTRZSA-N 1 3 355.526 2.822 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001101438480 1024743431 /nfs/dbraw/zinc/74/34/31/1024743431.db2.gz ARRCJOFIHABYGZ-BPGJKTRZSA-N 1 3 355.526 2.822 20 0 FFADHO Cc1sc(NC(=O)[C@@H](N)CCCC[NH3+])c(C(=O)c2ccccc2)c1C ZINC001218590529 1033237577 /nfs/dbraw/zinc/23/75/77/1033237577.db2.gz ZKOGPROWTKACNI-HNNXBMFYSA-N 1 3 359.495 2.991 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCc3ccccc3)[C@H]2C1 ZINC001223022704 1033244949 /nfs/dbraw/zinc/24/49/49/1033244949.db2.gz CHVBWUCHMPQZQO-UXHICEINSA-N 1 3 357.542 2.882 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CCc3ccccc3)[C@H]2C1 ZINC001223022704 1033244959 /nfs/dbraw/zinc/24/49/59/1033244959.db2.gz CHVBWUCHMPQZQO-UXHICEINSA-N 1 3 357.542 2.882 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1C ZINC001102021626 1025304778 /nfs/dbraw/zinc/30/47/78/1025304778.db2.gz VBOOZQJSIVFMQC-AQNXPRMDSA-N 1 3 367.578 2.608 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1C ZINC001102021626 1025304787 /nfs/dbraw/zinc/30/47/87/1025304787.db2.gz VBOOZQJSIVFMQC-AQNXPRMDSA-N 1 3 367.578 2.608 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048517 1025358445 /nfs/dbraw/zinc/35/84/45/1025358445.db2.gz FQBSVLFTYNGPII-YHYVQYDKSA-N 1 3 371.569 2.816 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048517 1025358458 /nfs/dbraw/zinc/35/84/58/1025358458.db2.gz FQBSVLFTYNGPII-YHYVQYDKSA-N 1 3 371.569 2.816 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001102051701 1025365098 /nfs/dbraw/zinc/36/50/98/1025365098.db2.gz HOCKMFTYJFPLLV-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001102051701 1025365110 /nfs/dbraw/zinc/36/51/10/1025365110.db2.gz HOCKMFTYJFPLLV-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071481 1025390722 /nfs/dbraw/zinc/39/07/22/1025390722.db2.gz MWZQRAHXVHHWBN-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071481 1025390733 /nfs/dbraw/zinc/39/07/33/1025390733.db2.gz MWZQRAHXVHHWBN-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000245850919 1025559928 /nfs/dbraw/zinc/55/99/28/1025559928.db2.gz GCRJZCUQTCBOKK-BRSBDYLESA-N 1 3 369.550 2.911 20 0 FFADHO COc1cccc(C[C@H](N)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000637831511 1025591814 /nfs/dbraw/zinc/59/18/14/1025591814.db2.gz CYKDMANDZXUZPT-VQTJNVASSA-N 1 3 355.482 2.505 20 0 FFADHO C[C@@H]1CN(CCc2c(F)cccc2Cl)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320674 1025740212 /nfs/dbraw/zinc/74/02/12/1025740212.db2.gz NQVJVMYMOFZVPX-HUUCEWRRSA-N 1 3 369.912 2.657 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366742 1025817077 /nfs/dbraw/zinc/81/70/77/1025817077.db2.gz OYBDZXKTUGGYNZ-HSALFYBXSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366742 1025817088 /nfs/dbraw/zinc/81/70/88/1025817088.db2.gz OYBDZXKTUGGYNZ-HSALFYBXSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c(C)c1 ZINC001102369646 1025826508 /nfs/dbraw/zinc/82/65/08/1025826508.db2.gz BHLKQQQVOHTFGY-YFVAEKQCSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c(C)c1 ZINC001102369646 1025826522 /nfs/dbraw/zinc/82/65/22/1025826522.db2.gz BHLKQQQVOHTFGY-YFVAEKQCSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCc3ccsc3)C[C@H]2C)C1 ZINC001102370393 1025832113 /nfs/dbraw/zinc/83/21/13/1025832113.db2.gz ZGHYIYFPRXJVSX-YQVWRLOYSA-N 1 3 363.571 2.707 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2C)C1 ZINC001102370393 1025832143 /nfs/dbraw/zinc/83/21/43/1025832143.db2.gz ZGHYIYFPRXJVSX-YQVWRLOYSA-N 1 3 363.571 2.707 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c(C)s1 ZINC001102373105 1025836345 /nfs/dbraw/zinc/83/63/45/1025836345.db2.gz VPZLEBRBSHFEAO-SPYBWZPUSA-N 1 3 363.571 2.891 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c(C)s1 ZINC001102373105 1025836363 /nfs/dbraw/zinc/83/63/63/1025836363.db2.gz VPZLEBRBSHFEAO-SPYBWZPUSA-N 1 3 363.571 2.891 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000638548582 1025884966 /nfs/dbraw/zinc/88/49/66/1025884966.db2.gz CICGJIRQCCXEBI-NWSQWKLXSA-N 1 3 370.585 2.828 20 0 FFADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000638556037 1025889402 /nfs/dbraw/zinc/88/94/02/1025889402.db2.gz IWOYGQGIJWKZRH-ZACQAIPSSA-N 1 3 369.431 2.637 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CN(Cc2ocnc2C)C[C@H]1C)C(C)C ZINC001102472208 1026040672 /nfs/dbraw/zinc/04/06/72/1026040672.db2.gz OOLUOOTWAMRNNT-SUMDDJOVSA-N 1 3 364.534 2.534 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001102475463 1026055912 /nfs/dbraw/zinc/05/59/12/1026055912.db2.gz PREMGWUEYJYBPG-ZIFCJYIRSA-N 1 3 361.530 2.782 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001102475463 1026055930 /nfs/dbraw/zinc/05/59/30/1026055930.db2.gz PREMGWUEYJYBPG-ZIFCJYIRSA-N 1 3 361.530 2.782 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475483 1026056240 /nfs/dbraw/zinc/05/62/40/1026056240.db2.gz QNJASIYGZYLWIC-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475483 1026056259 /nfs/dbraw/zinc/05/62/59/1026056259.db2.gz QNJASIYGZYLWIC-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC001102504399 1026153333 /nfs/dbraw/zinc/15/33/33/1026153333.db2.gz NQVIHNLMNUBFJJ-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC001102504399 1026153336 /nfs/dbraw/zinc/15/33/36/1026153336.db2.gz NQVIHNLMNUBFJJ-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001102524866 1026216354 /nfs/dbraw/zinc/21/63/54/1026216354.db2.gz AOOBXQWZHAPHFG-NVXWUHKLSA-N 1 3 367.484 2.533 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001102524866 1026216366 /nfs/dbraw/zinc/21/63/66/1026216366.db2.gz AOOBXQWZHAPHFG-NVXWUHKLSA-N 1 3 367.484 2.533 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ccc2OC)C[C@H]1C ZINC001102525655 1026218198 /nfs/dbraw/zinc/21/81/98/1026218198.db2.gz NSDJFYAZPWHEQS-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ccc2OC)C[C@H]1C ZINC001102525655 1026218211 /nfs/dbraw/zinc/21/82/11/1026218211.db2.gz NSDJFYAZPWHEQS-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO COc1cccc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)c1 ZINC001102532543 1026247315 /nfs/dbraw/zinc/24/73/15/1026247315.db2.gz RSSIRERCVZATMG-QGPMSJSTSA-N 1 3 370.497 2.715 20 0 FFADHO COc1cccc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)c1 ZINC001102532543 1026247327 /nfs/dbraw/zinc/24/73/27/1026247327.db2.gz RSSIRERCVZATMG-QGPMSJSTSA-N 1 3 370.497 2.715 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(C[C@@H](C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544157 1026359425 /nfs/dbraw/zinc/35/94/25/1026359425.db2.gz VDVRXHIERCYWRW-PXVQWCDCSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(C[C@@H](C[N@H+]2CCC[C@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544157 1026359436 /nfs/dbraw/zinc/35/94/36/1026359436.db2.gz VDVRXHIERCYWRW-PXVQWCDCSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H](CN2CCC[C@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544157 1026359448 /nfs/dbraw/zinc/35/94/48/1026359448.db2.gz VDVRXHIERCYWRW-PXVQWCDCSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H](CN2CCC[C@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544157 1026359451 /nfs/dbraw/zinc/35/94/51/1026359451.db2.gz VDVRXHIERCYWRW-PXVQWCDCSA-N 1 3 374.569 2.956 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102600637 1026400879 /nfs/dbraw/zinc/40/08/79/1026400879.db2.gz NZFYNPDNKRODEI-RBSFLKMASA-N 1 3 364.361 2.595 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102600637 1026400884 /nfs/dbraw/zinc/40/08/84/1026400884.db2.gz NZFYNPDNKRODEI-RBSFLKMASA-N 1 3 364.361 2.595 20 0 FFADHO COc1cccc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1 ZINC001102601122 1026401896 /nfs/dbraw/zinc/40/18/96/1026401896.db2.gz MIBSLNYBHCMQFV-ZHALLVOQSA-N 1 3 361.530 2.781 20 0 FFADHO COc1cccc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1 ZINC001102601122 1026401901 /nfs/dbraw/zinc/40/19/01/1026401901.db2.gz MIBSLNYBHCMQFV-ZHALLVOQSA-N 1 3 361.530 2.781 20 0 FFADHO CC[C@@H]1[C@H](CO)CCN1C[C@@H](C[N@@H+]1CC[C@H](CO)[C@H]1CC)c1ccccc1 ZINC000639660123 1026422473 /nfs/dbraw/zinc/42/24/73/1026422473.db2.gz VDRNGWIIJOUALM-PFDCGNQRSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CCN1C[C@@H](C[N@H+]1CC[C@H](CO)[C@H]1CC)c1ccccc1 ZINC000639660123 1026422475 /nfs/dbraw/zinc/42/24/75/1026422475.db2.gz VDRNGWIIJOUALM-PFDCGNQRSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](CN1CC[C@H](CO)[C@H]1CC)c1ccccc1 ZINC000639660123 1026422478 /nfs/dbraw/zinc/42/24/78/1026422478.db2.gz VDRNGWIIJOUALM-PFDCGNQRSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](CN1CC[C@H](CO)[C@H]1CC)c1ccccc1 ZINC000639660123 1026422480 /nfs/dbraw/zinc/42/24/80/1026422480.db2.gz VDRNGWIIJOUALM-PFDCGNQRSA-N 1 3 374.569 2.956 20 0 FFADHO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000838903545 1026528957 /nfs/dbraw/zinc/52/89/57/1026528957.db2.gz YPQLOIOKGMMIBT-UHFFFAOYSA-N 1 3 361.530 2.503 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C)N(C)C ZINC001103140079 1026995973 /nfs/dbraw/zinc/99/59/73/1026995973.db2.gz MBPXXPHZRKWNEL-IDHHARJASA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1C)N(C)C ZINC001103140079 1026995978 /nfs/dbraw/zinc/99/59/78/1026995978.db2.gz MBPXXPHZRKWNEL-IDHHARJASA-N 1 3 367.484 2.879 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2nc(C)cs2)C[C@H]1C ZINC001103156508 1027011116 /nfs/dbraw/zinc/01/11/16/1027011116.db2.gz HMLCBWGYNVJXQQ-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2nc(C)cs2)C[C@H]1C ZINC001103156508 1027011120 /nfs/dbraw/zinc/01/11/20/1027011120.db2.gz HMLCBWGYNVJXQQ-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CCOc1cc(Cl)nc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c1 ZINC001158581407 1027065553 /nfs/dbraw/zinc/06/55/53/1027065553.db2.gz REPVVQVTRTWEQL-UHFFFAOYSA-N 1 3 352.910 2.786 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)c1ccc(Cl)cc1Cl ZINC001158579275 1027066800 /nfs/dbraw/zinc/06/68/00/1027066800.db2.gz QSPNVOPTCTUODZ-VZJVUDMVSA-N 1 3 374.287 2.919 20 0 FFADHO CN1CCC(N(c2ccc3nccc(Cl)c3n2)C2CC[NH2+]CC2)CC1 ZINC001158588833 1027070902 /nfs/dbraw/zinc/07/09/02/1027070902.db2.gz GKOYDVKQIMHKLG-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO Cn1cncc1CN1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001204386566 1027131216 /nfs/dbraw/zinc/13/12/16/1027131216.db2.gz STBCXHYUUIEBTG-MRXNPFEDSA-N 1 3 360.527 2.737 20 0 FFADHO Cn1cncc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001204386566 1027131223 /nfs/dbraw/zinc/13/12/23/1027131223.db2.gz STBCXHYUUIEBTG-MRXNPFEDSA-N 1 3 360.527 2.737 20 0 FFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000641807146 1027315388 /nfs/dbraw/zinc/31/53/88/1027315388.db2.gz QTIXLTHCQQXODH-RTBURBONSA-N 1 3 351.494 2.998 20 0 FFADHO CCOc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001159459724 1027396815 /nfs/dbraw/zinc/39/68/15/1027396815.db2.gz CCBOGETYXDPBTN-UHFFFAOYSA-N 1 3 365.481 2.785 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2C)C1 ZINC001103436308 1027482654 /nfs/dbraw/zinc/48/26/54/1027482654.db2.gz SPLMHLFZZJQBTI-ZHALLVOQSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)C1 ZINC001103436308 1027482662 /nfs/dbraw/zinc/48/26/62/1027482662.db2.gz SPLMHLFZZJQBTI-ZHALLVOQSA-N 1 3 361.505 2.742 20 0 FFADHO Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103438479 1027484998 /nfs/dbraw/zinc/48/49/98/1027484998.db2.gz LILSEGXZFKPLNF-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103438479 1027485004 /nfs/dbraw/zinc/48/50/04/1027485004.db2.gz LILSEGXZFKPLNF-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO COc1cccc(CN2CC=C(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001160175117 1027621042 /nfs/dbraw/zinc/62/10/42/1027621042.db2.gz AJGNJMIKPWTDEU-DYESRHJHSA-N 1 3 371.525 2.674 20 0 FFADHO COc1cccc(CN2CC=C(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001160175117 1027621055 /nfs/dbraw/zinc/62/10/55/1027621055.db2.gz AJGNJMIKPWTDEU-DYESRHJHSA-N 1 3 371.525 2.674 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001160499315 1027729189 /nfs/dbraw/zinc/72/91/89/1027729189.db2.gz YOGBYENRBCZFSO-MJGOQNOKSA-N 1 3 352.482 2.706 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001160499315 1027729210 /nfs/dbraw/zinc/72/92/10/1027729210.db2.gz YOGBYENRBCZFSO-MJGOQNOKSA-N 1 3 352.482 2.706 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC(n2ccc3ccccc32)CC1 ZINC001160873422 1027904960 /nfs/dbraw/zinc/90/49/60/1027904960.db2.gz ZGUSFGRRULQNJE-IBGZPJMESA-N 1 3 356.514 2.864 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902774 1027919077 /nfs/dbraw/zinc/91/90/77/1027919077.db2.gz XXIPPLRBTCBFCB-QGLKVJOYSA-N 1 3 357.542 2.926 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902774 1027919087 /nfs/dbraw/zinc/91/90/87/1027919087.db2.gz XXIPPLRBTCBFCB-QGLKVJOYSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@H]1C ZINC001103664777 1027924899 /nfs/dbraw/zinc/92/48/99/1027924899.db2.gz VZYICELVFUWONG-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)C[C@H]1C ZINC001103664777 1027924901 /nfs/dbraw/zinc/92/49/01/1027924901.db2.gz VZYICELVFUWONG-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC001160955717 1027941670 /nfs/dbraw/zinc/94/16/70/1027941670.db2.gz GAZGADUVMNPGIN-CBQOVEMMSA-N 1 3 371.525 2.508 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1C[C@@H](C[NH3+])C1(C)C ZINC001160956467 1027945557 /nfs/dbraw/zinc/94/55/57/1027945557.db2.gz IZQOXVVSVJLJKZ-FFGOWVMKSA-N 1 3 357.542 2.976 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@]23CC[C@@H]2C[NH2+]C3)cc1 ZINC001160956449 1027946941 /nfs/dbraw/zinc/94/69/41/1027946941.db2.gz NETWHIWBVVYPHB-WOIUINJBSA-N 1 3 371.525 2.508 20 0 FFADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1)C2 ZINC001160962308 1027949886 /nfs/dbraw/zinc/94/98/86/1027949886.db2.gz CBQKAEGZNNMFCC-BFYDXBDKSA-N 1 3 355.404 2.505 20 0 FFADHO CC(C)N(CCC(=O)c1ccc2ccccc2c1)C(=O)[C@H](N)CCC[NH3+] ZINC001160997736 1027964781 /nfs/dbraw/zinc/96/47/81/1027964781.db2.gz QNPVFPWOOZTRLS-LJQANCHMSA-N 1 3 355.482 2.716 20 0 FFADHO Cc1cc2[nH]ccc2c(NCC(=O)N2CCN(C3CCCCC3)CC2)[nH+]1 ZINC001161059787 1027991646 /nfs/dbraw/zinc/99/16/46/1027991646.db2.gz ZJOHJZQJPOOTKY-UHFFFAOYSA-N 1 3 355.486 2.760 20 0 FFADHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1 ZINC001161158515 1028041026 /nfs/dbraw/zinc/04/10/26/1028041026.db2.gz JHMHZAUGFAYGRU-JKSUJKDBSA-N 1 3 357.420 2.507 20 0 FFADHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1 ZINC001161158515 1028041042 /nfs/dbraw/zinc/04/10/42/1028041042.db2.gz JHMHZAUGFAYGRU-JKSUJKDBSA-N 1 3 357.420 2.507 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103718721 1028064663 /nfs/dbraw/zinc/06/46/63/1028064663.db2.gz CHKKZWXCGXAGKS-RBSFLKMASA-N 1 3 369.962 2.927 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103718721 1028064677 /nfs/dbraw/zinc/06/46/77/1028064677.db2.gz CHKKZWXCGXAGKS-RBSFLKMASA-N 1 3 369.962 2.927 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)C1 ZINC001154047727 1028127233 /nfs/dbraw/zinc/12/72/33/1028127233.db2.gz IOVDLVOWFAGMRW-SJLPKXTDSA-N 1 3 373.541 2.875 20 0 FFADHO O=C(c1csc2c1CCNC2)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161435463 1028171409 /nfs/dbraw/zinc/17/14/09/1028171409.db2.gz NTZVZMBRAVJRGG-UHFFFAOYSA-N 1 3 355.507 2.788 20 0 FFADHO CN(C)CCN(C(=O)c1c[nH]c(-c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC001161449808 1028179647 /nfs/dbraw/zinc/17/96/47/1028179647.db2.gz SSCQYYSZBSHSAA-GOSISDBHSA-N 1 3 358.461 2.577 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001161526162 1028215718 /nfs/dbraw/zinc/21/57/18/1028215718.db2.gz JTAAXTYKISOUSQ-TZIWHRDSSA-N 1 3 371.500 2.506 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001161526162 1028215733 /nfs/dbraw/zinc/21/57/33/1028215733.db2.gz JTAAXTYKISOUSQ-TZIWHRDSSA-N 1 3 371.500 2.506 20 0 FFADHO CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)cc1 ZINC001161570132 1028232758 /nfs/dbraw/zinc/23/27/58/1028232758.db2.gz CMYYMSSXTGLODC-PKOBYXMFSA-N 1 3 359.514 2.507 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001103999598 1028463799 /nfs/dbraw/zinc/46/37/99/1028463799.db2.gz DUAGIMWZSZFPMB-IDHHARJASA-N 1 3 365.468 2.633 20 0 FFADHO FC(F)(F)c1ccc2nccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001163322083 1028893276 /nfs/dbraw/zinc/89/32/76/1028893276.db2.gz GOEWWNLHZPSLID-CXAGYDPISA-N 1 3 351.372 2.999 20 0 FFADHO Cc1cc(CN)nn1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001156043725 1029023375 /nfs/dbraw/zinc/02/33/75/1029023375.db2.gz AIBKYARCKVHUFJ-UHFFFAOYSA-N 1 3 353.804 2.673 20 0 FFADHO COC(=O)c1cc(-c2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cc2)on1 ZINC001164212869 1029205564 /nfs/dbraw/zinc/20/55/64/1029205564.db2.gz HZFHKQTWEMGWMX-UHFFFAOYSA-N 1 3 372.469 2.566 20 0 FFADHO Cc1nc(C)c(CN2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)s1 ZINC001111857196 1029627243 /nfs/dbraw/zinc/62/72/43/1029627243.db2.gz ZVPFWNARQFNFRK-LPHOPBHVSA-N 1 3 364.559 2.572 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCCCOC)C2)N(CC)CC ZINC001111869999 1029649464 /nfs/dbraw/zinc/64/94/64/1029649464.db2.gz VNGWCFMEHXZTDG-ZVDOUQERSA-N 1 3 367.578 2.894 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCCCOC)C2)N(CC)CC ZINC001111869999 1029649469 /nfs/dbraw/zinc/64/94/69/1029649469.db2.gz VNGWCFMEHXZTDG-ZVDOUQERSA-N 1 3 367.578 2.894 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001158230439 1029764197 /nfs/dbraw/zinc/76/41/97/1029764197.db2.gz POIDANMWDOZMBH-IBGZPJMESA-N 1 3 355.526 2.843 20 0 FFADHO Cc1ccc(-c2cc(CNCCCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)on2)cc1 ZINC001158379683 1029815799 /nfs/dbraw/zinc/81/57/99/1029815799.db2.gz FKZMCALHZAFESS-VQIMIIECSA-N 1 3 370.497 2.586 20 0 FFADHO Cc1ccc(-c2cc(CNCCCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)on2)cc1 ZINC001158379683 1029815804 /nfs/dbraw/zinc/81/58/04/1029815804.db2.gz FKZMCALHZAFESS-VQIMIIECSA-N 1 3 370.497 2.586 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001112004388 1029852683 /nfs/dbraw/zinc/85/26/83/1029852683.db2.gz ZNOOYKLRTFZNON-RDJZCZTQSA-N 1 3 361.452 2.786 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2 ZINC001112017590 1029867087 /nfs/dbraw/zinc/86/70/87/1029867087.db2.gz LIZSQTLGUUAXTA-UNMCSNQZSA-N 1 3 370.541 2.818 20 0 FFADHO COc1cc(CNCc2ccc(CC[NH3+])cc2)ccc1OC(=O)C1CC1 ZINC000841032332 1029992530 /nfs/dbraw/zinc/99/25/30/1029992530.db2.gz RIYRSIGDDNLJKO-UHFFFAOYSA-N 1 3 354.450 2.802 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167145 1030132070 /nfs/dbraw/zinc/13/20/70/1030132070.db2.gz FKNKGAVCFBDDRF-ZIAGYGMSSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H]1[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)CCN1Cc1ccccc1 ZINC000841287194 1030159725 /nfs/dbraw/zinc/15/97/25/1030159725.db2.gz XBFRVGSFZLDPSN-OXQOHEQNSA-N 1 3 368.481 2.809 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000841324052 1030196416 /nfs/dbraw/zinc/19/64/16/1030196416.db2.gz GSPUWHGVXCBOIM-UHFFFAOYSA-N 1 3 370.497 2.662 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001166626926 1030461428 /nfs/dbraw/zinc/46/14/28/1030461428.db2.gz MCSOSOPIGNMTSF-AYBZRNKSSA-N 1 3 365.468 2.616 20 0 FFADHO C[C@H](NC(=O)NCc1ccc(CC[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000841900925 1030530039 /nfs/dbraw/zinc/53/00/39/1030530039.db2.gz CVLVPTAPVKXYKE-OXJNMPFZSA-N 1 3 354.498 2.678 20 0 FFADHO CN(C)C[C@H](NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)cc1 ZINC000841932829 1030551212 /nfs/dbraw/zinc/55/12/12/1030551212.db2.gz YDHUTYAJUZBYOT-IBGZPJMESA-N 1 3 374.916 2.943 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cccn1C)CC2 ZINC001203259878 1030652580 /nfs/dbraw/zinc/65/25/80/1030652580.db2.gz LTYINOOFHLVDKH-NRFANRHFSA-N 1 3 368.525 2.923 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cccn1C)CC2 ZINC001203259878 1030652586 /nfs/dbraw/zinc/65/25/86/1030652586.db2.gz LTYINOOFHLVDKH-NRFANRHFSA-N 1 3 368.525 2.923 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC(C)C)C1 ZINC001112382111 1030708778 /nfs/dbraw/zinc/70/87/78/1030708778.db2.gz FIKMTXDANZDCIA-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO COc1ccc2c(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000842478973 1030753396 /nfs/dbraw/zinc/75/33/96/1030753396.db2.gz MUJCZOZNRQJICB-RXVVDRJESA-N 1 3 372.465 2.520 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@@H]2CCCO2)C1 ZINC001112436787 1030807326 /nfs/dbraw/zinc/80/73/26/1030807326.db2.gz FVKCLKVMTUOASI-WFXMLNOXSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc(O)c3)O2)CC1 ZINC001203862649 1030941337 /nfs/dbraw/zinc/94/13/37/1030941337.db2.gz SVJMJLUOTMVWIS-YPAWHYETSA-N 1 3 374.525 2.873 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC001142918504 1031055618 /nfs/dbraw/zinc/05/56/18/1031055618.db2.gz HVQWHRSSMLLKSY-UHFFFAOYSA-N 1 3 358.530 2.639 20 0 FFADHO Cc1c(F)cc(F)cc1CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276443175 1031122528 /nfs/dbraw/zinc/12/25/28/1031122528.db2.gz UTEOZDROTXZSNL-FQEVSTJZSA-N 1 3 365.468 2.792 20 0 FFADHO COc1cccc2cc(CN3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)oc21 ZINC000843058269 1031166096 /nfs/dbraw/zinc/16/60/96/1031166096.db2.gz QPQZCNDSVFDEEN-MAUKXSAKSA-N 1 3 371.481 2.522 20 0 FFADHO C[NH+](C)CCOc1ccc(-c2noc([C@@H]3CNCc4ccccc43)n2)cc1 ZINC000843178276 1031225668 /nfs/dbraw/zinc/22/56/68/1031225668.db2.gz LPMOSHYXHNDULV-LJQANCHMSA-N 1 3 364.449 2.912 20 0 FFADHO [NH3+]CCNC(=O)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC001204604858 1031388868 /nfs/dbraw/zinc/38/88/68/1031388868.db2.gz ZSEZTAKZHKXBFV-UHFFFAOYSA-N 1 3 351.494 2.830 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CN(CCC(C)C)C[C@@H]21 ZINC001218952185 1033423364 /nfs/dbraw/zinc/42/33/64/1033423364.db2.gz LXWGLVUYOAIDFB-VQTJNVASSA-N 1 3 367.578 2.846 20 0 FFADHO Nc1c(F)cccc1N(C(=O)c1csc2c1CCNC2)C1CC[NH2+]CC1 ZINC001219287771 1033585807 /nfs/dbraw/zinc/58/58/07/1033585807.db2.gz COMYJUAJXHVAJH-UHFFFAOYSA-N 1 3 374.485 2.514 20 0 FFADHO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@@H]1CNC[C@@H](F)C1 ZINC001219487063 1033666877 /nfs/dbraw/zinc/66/68/77/1033666877.db2.gz YJQMPSFWMJSPPU-CMKODMSKSA-N 1 3 359.489 2.916 20 0 FFADHO [NH3+]CC1CCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001219668846 1033740619 /nfs/dbraw/zinc/74/06/19/1033740619.db2.gz BNXZTEQZEDSSSE-UHFFFAOYSA-N 1 3 357.542 2.822 20 0 FFADHO COc1cc2cccnc2c(N(C(=O)[C@@H]2CCCCN2)[C@H](C)CCC[NH3+])c1 ZINC001220033167 1033949777 /nfs/dbraw/zinc/94/97/77/1033949777.db2.gz JKLBHQPEUHLHBI-QAPCUYQASA-N 1 3 370.497 2.846 20 0 FFADHO CCCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000831110635 1033951889 /nfs/dbraw/zinc/95/18/89/1033951889.db2.gz UEKDXTKQHKXXBY-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO CCCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000831110635 1033951893 /nfs/dbraw/zinc/95/18/93/1033951893.db2.gz UEKDXTKQHKXXBY-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO CC(C)(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(C(F)(F)F)cc1 ZINC001220066256 1033970271 /nfs/dbraw/zinc/97/02/71/1033970271.db2.gz WUQUTLUVKXECDC-OAHLLOKOSA-N 1 3 369.431 2.931 20 0 FFADHO CC(C)(NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC001220066256 1033970283 /nfs/dbraw/zinc/97/02/83/1033970283.db2.gz WUQUTLUVKXECDC-OAHLLOKOSA-N 1 3 369.431 2.931 20 0 FFADHO O=C(NCCSCc1ccccc1Cl)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220084188 1033975989 /nfs/dbraw/zinc/97/59/89/1033975989.db2.gz DVUMOURCWSGSFJ-INIZCTEOSA-N 1 3 367.946 2.564 20 0 FFADHO O=C(NCCSCc1ccccc1Cl)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220084188 1033976002 /nfs/dbraw/zinc/97/60/02/1033976002.db2.gz DVUMOURCWSGSFJ-INIZCTEOSA-N 1 3 367.946 2.564 20 0 FFADHO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC001138308370 1034108311 /nfs/dbraw/zinc/10/83/11/1034108311.db2.gz KVMKOKDAKWSQAU-SFHVURJKSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC001138308370 1034108315 /nfs/dbraw/zinc/10/83/15/1034108315.db2.gz KVMKOKDAKWSQAU-SFHVURJKSA-N 1 3 357.542 2.882 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)C[C@@H]2Cc3ccccc3CN2)cc1 ZINC001220903306 1034448807 /nfs/dbraw/zinc/44/88/07/1034448807.db2.gz PKQLCIXGIDMJGQ-NRFANRHFSA-N 1 3 351.494 2.641 20 0 FFADHO Cc1c(Cl)ccc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)c1C ZINC001277096838 1034512291 /nfs/dbraw/zinc/51/22/91/1034512291.db2.gz CIBOJWYHYHAKPQ-FQEVSTJZSA-N 1 3 363.933 2.943 20 0 FFADHO Cc1c(Cl)ccc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)c1C ZINC001277096838 1034512300 /nfs/dbraw/zinc/51/23/00/1034512300.db2.gz CIBOJWYHYHAKPQ-FQEVSTJZSA-N 1 3 363.933 2.943 20 0 FFADHO CC(C)(CNC(=O)[C@@H](N)C1CC[NH2+]CC1)Cc1ccc(C(F)(F)F)cc1 ZINC001221166689 1034584125 /nfs/dbraw/zinc/58/41/25/1034584125.db2.gz KKNBEVBQJIOCFG-INIZCTEOSA-N 1 3 371.447 2.717 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1)N1CCCCC1 ZINC001226268021 1034602883 /nfs/dbraw/zinc/60/28/83/1034602883.db2.gz WVWXQNARHJXKNV-RTBURBONSA-N 1 3 365.562 2.695 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001138743743 1034610453 /nfs/dbraw/zinc/61/04/53/1034610453.db2.gz GOLBUOPPAKALJH-TZIWHRDSSA-N 1 3 354.498 2.743 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001138743743 1034610459 /nfs/dbraw/zinc/61/04/59/1034610459.db2.gz GOLBUOPPAKALJH-TZIWHRDSSA-N 1 3 354.498 2.743 20 0 FFADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248006 1034625003 /nfs/dbraw/zinc/62/50/03/1034625003.db2.gz FTROJODPIVGYJH-SJLPKXTDSA-N 1 3 369.431 2.614 20 0 FFADHO Cc1cccc(O[C@@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC001138773319 1034641855 /nfs/dbraw/zinc/64/18/55/1034641855.db2.gz ANYSSOBKDHVJFJ-HXUWFJFHSA-N 1 3 355.482 2.984 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001221293172 1034654819 /nfs/dbraw/zinc/65/48/19/1034654819.db2.gz AXYMPTZXQSLZOX-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001221293172 1034654821 /nfs/dbraw/zinc/65/48/21/1034654821.db2.gz AXYMPTZXQSLZOX-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001226890061 1034873425 /nfs/dbraw/zinc/87/34/25/1034873425.db2.gz HDMPFAPIZKBIIF-IPMKNSEASA-N 1 3 362.493 2.612 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001226890061 1034873430 /nfs/dbraw/zinc/87/34/30/1034873430.db2.gz HDMPFAPIZKBIIF-IPMKNSEASA-N 1 3 362.493 2.612 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001226932932 1034888322 /nfs/dbraw/zinc/88/83/22/1034888322.db2.gz VBIOKHGYADZOGC-NUJGCVRESA-N 1 3 366.937 2.838 20 0 FFADHO CN1CC[NH+](C2CCN(Cc3ccc(-c4cccnc4)cc3)CC2)CC1 ZINC001139643913 1035187618 /nfs/dbraw/zinc/18/76/18/1035187618.db2.gz PKJNCODSJWSWAT-UHFFFAOYSA-N 1 3 350.510 2.960 20 0 FFADHO C[NH+]1CCN(c2ccc(CN3CCCC[C@H]3c3cccnc3)cn2)CC1 ZINC001232363283 1035624632 /nfs/dbraw/zinc/62/46/32/1035624632.db2.gz GZOXQUSXWJLCJT-FQEVSTJZSA-N 1 3 351.498 2.956 20 0 FFADHO Cc1ccc(Br)cc1CN1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001140648335 1035776095 /nfs/dbraw/zinc/77/60/95/1035776095.db2.gz VYOMFAWIEMALHK-ZWKOTPCHSA-N 1 3 366.347 2.968 20 0 FFADHO CCOc1ccc(C)c(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001277703844 1035962225 /nfs/dbraw/zinc/96/22/25/1035962225.db2.gz IBOQFMIQCGJGKN-NRFANRHFSA-N 1 3 359.514 2.522 20 0 FFADHO O=C1N(CC(F)(F)F)CC[C@]12CC[N@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001277282919 1036019653 /nfs/dbraw/zinc/01/96/53/1036019653.db2.gz MRTNDVFXDXNCMI-INIZCTEOSA-N 1 3 352.360 2.550 20 0 FFADHO O=C1N(CC(F)(F)F)CC[C@]12CC[N@@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001277282919 1036019671 /nfs/dbraw/zinc/01/96/71/1036019671.db2.gz MRTNDVFXDXNCMI-INIZCTEOSA-N 1 3 352.360 2.550 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F)CC(C)(C)C ZINC001228646210 1036228091 /nfs/dbraw/zinc/22/80/91/1036228091.db2.gz ATZWSQUYIMENQP-ZIAGYGMSSA-N 1 3 351.457 2.934 20 0 FFADHO Cc1cc(F)cc(Cl)c1CN1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277779183 1036443937 /nfs/dbraw/zinc/44/39/37/1036443937.db2.gz XXBFKSLLELXGBO-LJQANCHMSA-N 1 3 367.896 2.774 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC001229877171 1036953766 /nfs/dbraw/zinc/95/37/66/1036953766.db2.gz MNUOTBKNIDCMMK-RTBURBONSA-N 1 3 365.493 2.563 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001230266727 1037185544 /nfs/dbraw/zinc/18/55/44/1037185544.db2.gz WZWYUPPSGMSOMQ-RTBURBONSA-N 1 3 362.493 2.614 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C ZINC001207231589 1037267236 /nfs/dbraw/zinc/26/72/36/1037267236.db2.gz MAAGEIHNCNNDNM-MISYRCLQSA-N 1 3 363.521 2.736 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC001207231589 1037267240 /nfs/dbraw/zinc/26/72/40/1037267240.db2.gz MAAGEIHNCNNDNM-MISYRCLQSA-N 1 3 363.521 2.736 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001207282854 1037315836 /nfs/dbraw/zinc/31/58/36/1037315836.db2.gz WQBAZQVLJWMUOX-JOCHJYFZSA-N 1 3 374.573 2.584 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001207282854 1037315852 /nfs/dbraw/zinc/31/58/52/1037315852.db2.gz WQBAZQVLJWMUOX-JOCHJYFZSA-N 1 3 374.573 2.584 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC[C@@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001207282854 1037315864 /nfs/dbraw/zinc/31/58/64/1037315864.db2.gz WQBAZQVLJWMUOX-JOCHJYFZSA-N 1 3 374.573 2.584 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001207282388 1037316038 /nfs/dbraw/zinc/31/60/38/1037316038.db2.gz PGJGGEJVCRGOAI-FQEVSTJZSA-N 1 3 365.468 2.981 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3c(F)ccc(C)c3OC)C[C@@H]1CC[NH2+]CC2 ZINC001235349471 1037495446 /nfs/dbraw/zinc/49/54/46/1037495446.db2.gz PNUZVHJEKASDCS-YWZLYKJASA-N 1 3 364.461 2.507 20 0 FFADHO N[C@H](Cc1ccccc1)C[NH+]1CCC2(CC1)c1cccc(F)c1NC2=O ZINC001235662563 1037669750 /nfs/dbraw/zinc/66/97/50/1037669750.db2.gz UPCFPGKKEKOCDO-MRXNPFEDSA-N 1 3 353.441 2.681 20 0 FFADHO Brc1cccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC001235689220 1037685227 /nfs/dbraw/zinc/68/52/27/1037685227.db2.gz BCGSZFRWXZBOCS-UHFFFAOYSA-N 1 3 366.347 2.956 20 0 FFADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001207790377 1037730977 /nfs/dbraw/zinc/73/09/77/1037730977.db2.gz RCCJJQFYPXYSBC-VQIMIIECSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001207790377 1037730986 /nfs/dbraw/zinc/73/09/86/1037730986.db2.gz RCCJJQFYPXYSBC-VQIMIIECSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H](CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)OC ZINC001207790714 1037731114 /nfs/dbraw/zinc/73/11/14/1037731114.db2.gz XGMGKGVTINOYMI-BPQIPLTHSA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H](CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)OC ZINC001207790714 1037731136 /nfs/dbraw/zinc/73/11/36/1037731136.db2.gz XGMGKGVTINOYMI-BPQIPLTHSA-N 1 3 353.551 2.501 20 0 FFADHO CC1([NH+]2CCOCC2)CCC(N[C@H](CO)c2cc(F)ccc2F)CC1 ZINC001207793393 1037736124 /nfs/dbraw/zinc/73/61/24/1037736124.db2.gz JXXMUQVGRZRLTJ-ZCDLSOSASA-N 1 3 354.441 2.621 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCN[C@H](c3cccc(Br)c3)C2)C1 ZINC001235796748 1037748098 /nfs/dbraw/zinc/74/80/98/1037748098.db2.gz VGOIQLZMVRSQNA-YOEHRIQHSA-N 1 3 352.320 2.737 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCN[C@H](c3cccc(Br)c3)C2)C1 ZINC001235796748 1037748110 /nfs/dbraw/zinc/74/81/10/1037748110.db2.gz VGOIQLZMVRSQNA-YOEHRIQHSA-N 1 3 352.320 2.737 20 0 FFADHO Fc1cc(OC(F)(F)F)ccc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236127422 1037942164 /nfs/dbraw/zinc/94/21/64/1037942164.db2.gz HBCAUCDEJMUDKZ-UHFFFAOYSA-N 1 3 361.383 2.594 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001255486828 1037965461 /nfs/dbraw/zinc/96/54/61/1037965461.db2.gz XIULVGHTZHXEML-OALUTQOASA-N 1 3 364.484 2.709 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001255486828 1037965470 /nfs/dbraw/zinc/96/54/70/1037965470.db2.gz XIULVGHTZHXEML-OALUTQOASA-N 1 3 364.484 2.709 20 0 FFADHO C[NH+]1CCC(C)(CN2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC001208106861 1038037373 /nfs/dbraw/zinc/03/73/73/1038037373.db2.gz GSPZAUOIWAHIRE-UHFFFAOYSA-N 1 3 367.335 2.698 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CCN1C ZINC001255630713 1038090942 /nfs/dbraw/zinc/09/09/42/1038090942.db2.gz QJXJLNJBMYDVKG-RHSMWYFYSA-N 1 3 352.910 2.506 20 0 FFADHO Cc1cccc(OC2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)n1 ZINC001236534538 1038121391 /nfs/dbraw/zinc/12/13/91/1038121391.db2.gz WLZYCDYYIYVZFX-UHFFFAOYSA-N 1 3 366.509 2.843 20 0 FFADHO COc1cccc(O[C@@H]2CCCN(Cc3ccc4c(c3)CC[NH2+]C4)C2)n1 ZINC001236534849 1038122277 /nfs/dbraw/zinc/12/22/77/1038122277.db2.gz AUMRFLRFCBLIJQ-LJQANCHMSA-N 1 3 353.466 2.779 20 0 FFADHO Cc1cccc(OC2CCN(Cc3ccccc3N3CC[NH2+]CC3)CC2)n1 ZINC001236533775 1038122357 /nfs/dbraw/zinc/12/23/57/1038122357.db2.gz HAWKLKWNCOURRC-UHFFFAOYSA-N 1 3 366.509 2.843 20 0 FFADHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Br)c([O-])c1 ZINC001236688587 1038192955 /nfs/dbraw/zinc/19/29/55/1038192955.db2.gz YHPXLMZTZUYMEU-UHFFFAOYSA-N 1 3 372.351 2.860 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255962949 1038278398 /nfs/dbraw/zinc/27/83/98/1038278398.db2.gz LVCMZXFJNQWOMN-RXVVDRJESA-N 1 3 358.530 2.626 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255962949 1038278401 /nfs/dbraw/zinc/27/84/01/1038278401.db2.gz LVCMZXFJNQWOMN-RXVVDRJESA-N 1 3 358.530 2.626 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@@H]1CCN(C(C)C)C[C@H]1C ZINC001256000419 1038304732 /nfs/dbraw/zinc/30/47/32/1038304732.db2.gz OVFJNTNZWUXPEC-SJLPKXTDSA-N 1 3 370.534 2.750 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C)N(C)C ZINC001208530269 1038389365 /nfs/dbraw/zinc/38/93/65/1038389365.db2.gz MVPVQMVXKLKWEU-DJIMGWMZSA-N 1 3 359.505 2.835 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C)N(C)C ZINC001208530269 1038389381 /nfs/dbraw/zinc/38/93/81/1038389381.db2.gz MVPVQMVXKLKWEU-DJIMGWMZSA-N 1 3 359.505 2.835 20 0 FFADHO C[C@H]1C[C@H](NCc2ccccc2-n2cnnn2)CC[N@@H+]1Cc1ccccc1 ZINC001256529529 1038546035 /nfs/dbraw/zinc/54/60/35/1038546035.db2.gz URIFEGBUGYXKBU-FXAWDEMLSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@H]1C[C@H](NCc2ccccc2-n2cnnn2)CC[N@H+]1Cc1ccccc1 ZINC001256529529 1038546039 /nfs/dbraw/zinc/54/60/39/1038546039.db2.gz URIFEGBUGYXKBU-FXAWDEMLSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@H](CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1)C(F)(F)F ZINC001208886447 1038575019 /nfs/dbraw/zinc/57/50/19/1038575019.db2.gz CGYUSCIAFJVUCB-FVQBIDKESA-N 1 3 361.452 2.592 20 0 FFADHO COc1cc(N2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)ccn1 ZINC001256613137 1038581288 /nfs/dbraw/zinc/58/12/88/1038581288.db2.gz WVKBLBRNOUDKJJ-UHFFFAOYSA-N 1 3 366.509 2.877 20 0 FFADHO c1ccc(CN2CCC([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256675821 1038598392 /nfs/dbraw/zinc/59/83/92/1038598392.db2.gz JPXBJWGDLPVUNK-UHFFFAOYSA-N 1 3 357.542 2.884 20 0 FFADHO CCC1([NH2+]C2CCC(N3CCOCC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001256682755 1038600117 /nfs/dbraw/zinc/60/01/17/1038600117.db2.gz PBYMIXQJIXUJGE-UHFFFAOYSA-N 1 3 367.534 2.619 20 0 FFADHO CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682565 1038600668 /nfs/dbraw/zinc/60/06/68/1038600668.db2.gz LXIQOGLINIPXDS-UHFFFAOYSA-N 1 3 369.550 2.770 20 0 FFADHO c1nn(Cc2ccccc2)cc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683323 1038601251 /nfs/dbraw/zinc/60/12/51/1038601251.db2.gz XFUXUZWCTJVDAX-UHFFFAOYSA-N 1 3 354.498 2.664 20 0 FFADHO CC(C)[NH+]1CCC(N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CC1 ZINC001257217901 1038747792 /nfs/dbraw/zinc/74/77/92/1038747792.db2.gz RVACOVWCKYAMTG-UHFFFAOYSA-N 1 3 370.541 2.769 20 0 FFADHO COc1ccc(N2C[C@@]3(CCN(C4CC[NH+](C(C)C)CC4)C3)CC2=O)cc1 ZINC001257217381 1038747824 /nfs/dbraw/zinc/74/78/24/1038747824.db2.gz NKYNMNGTVFZEIV-QFIPXVFZSA-N 1 3 371.525 2.997 20 0 FFADHO CC(C)N1CCC([N@@H+]2CC[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001257221716 1038750557 /nfs/dbraw/zinc/75/05/57/1038750557.db2.gz DXUUYIGXQQFOCS-ZWKOTPCHSA-N 1 3 367.534 2.569 20 0 FFADHO CC(C)N1CCC([N@H+]2CC[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001257221716 1038750559 /nfs/dbraw/zinc/75/05/59/1038750559.db2.gz DXUUYIGXQQFOCS-ZWKOTPCHSA-N 1 3 367.534 2.569 20 0 FFADHO C[NH+]1CCC2(CN(C[C@@H](O)COCc3c(Cl)cccc3Cl)C2)CC1 ZINC001250903602 1038793854 /nfs/dbraw/zinc/79/38/54/1038793854.db2.gz LQMMMLYHNCHPCI-CQSZACIVSA-N 1 3 373.324 2.899 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257554648 1038859790 /nfs/dbraw/zinc/85/97/90/1038859790.db2.gz SNOZSPZPVDSASO-INIZCTEOSA-N 1 3 368.363 2.996 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2nc(Cl)ccc12 ZINC001278419072 1039127612 /nfs/dbraw/zinc/12/76/12/1039127612.db2.gz UDFNAIOLRDLRIR-MQVJKMGUSA-N 1 3 361.921 2.863 20 0 FFADHO Cc1ccc(O[C@H]2CCC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246045414 1039213306 /nfs/dbraw/zinc/21/33/06/1039213306.db2.gz UXXAZNOTUFLJMC-FDFHNCONSA-N 1 3 354.494 2.769 20 0 FFADHO Cc1ccc(O[C@H]2CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246045414 1039213315 /nfs/dbraw/zinc/21/33/15/1039213315.db2.gz UXXAZNOTUFLJMC-FDFHNCONSA-N 1 3 354.494 2.769 20 0 FFADHO CC[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246066615 1039234120 /nfs/dbraw/zinc/23/41/20/1039234120.db2.gz QVLLWUSGVDEDPT-RJGXRXQPSA-N 1 3 367.537 2.514 20 0 FFADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089669 1039242245 /nfs/dbraw/zinc/24/22/45/1039242245.db2.gz RRSCOVOMORUKAB-HPEXNQPKSA-N 1 3 350.812 2.591 20 0 FFADHO CN1CCN(c2ccccc2CN[C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246180585 1039268577 /nfs/dbraw/zinc/26/85/77/1039268577.db2.gz LSFSHOCFKIGVFO-FQEVSTJZSA-N 1 3 356.558 2.983 20 0 FFADHO c1ccc([C@@H]2C[C@H](NCCN3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC001246195773 1039273425 /nfs/dbraw/zinc/27/34/25/1039273425.db2.gz PLJCKQIKPIXOLG-GGAORHGYSA-N 1 3 364.537 2.892 20 0 FFADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246299801 1039302342 /nfs/dbraw/zinc/30/23/42/1039302342.db2.gz KUIRVZOIUOKBHL-ZJIFWQFVSA-N 1 3 370.534 2.782 20 0 FFADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246312055 1039311212 /nfs/dbraw/zinc/31/12/12/1039311212.db2.gz FEIUKXUOWJPTDC-XUWVNRHRSA-N 1 3 370.534 2.782 20 0 FFADHO CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258336554 1039320032 /nfs/dbraw/zinc/32/00/32/1039320032.db2.gz BGIYKCAOIVOIMW-YVSFHVDLSA-N 1 3 351.564 2.593 20 0 FFADHO CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258336554 1039320042 /nfs/dbraw/zinc/32/00/42/1039320042.db2.gz BGIYKCAOIVOIMW-YVSFHVDLSA-N 1 3 351.564 2.593 20 0 FFADHO CCCCC[C@@H](CC)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001258441687 1039374107 /nfs/dbraw/zinc/37/41/07/1039374107.db2.gz PKJZNDRVUHTHLZ-LJQANCHMSA-N 1 3 366.594 2.516 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]1CNCCC2 ZINC001246596154 1039409311 /nfs/dbraw/zinc/40/93/11/1039409311.db2.gz PBWNTISFGMTWTK-JKQORVJESA-N 1 3 362.436 2.972 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]1CNCCC2 ZINC001246596154 1039409321 /nfs/dbraw/zinc/40/93/21/1039409321.db2.gz PBWNTISFGMTWTK-JKQORVJESA-N 1 3 362.436 2.972 20 0 FFADHO COc1ccc(Cl)c2c1C[C@@H](N1CCOCC3(CC[NH2+]CC3)C1)CC2 ZINC001246611498 1039414952 /nfs/dbraw/zinc/41/49/52/1039414952.db2.gz GISUNSDODZROBY-HNNXBMFYSA-N 1 3 364.917 2.908 20 0 FFADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246670929 1039433234 /nfs/dbraw/zinc/43/32/34/1039433234.db2.gz GJKZXARJIONKET-DHXZDTOLSA-N 1 3 354.473 2.938 20 0 FFADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246670929 1039433245 /nfs/dbraw/zinc/43/32/45/1039433245.db2.gz GJKZXARJIONKET-DHXZDTOLSA-N 1 3 354.473 2.938 20 0 FFADHO CC1(C)CC[C@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001258593033 1039446387 /nfs/dbraw/zinc/44/63/87/1039446387.db2.gz KDOZZPNPUDIGJF-MOPGFXCFSA-N 1 3 357.542 2.970 20 0 FFADHO CC1(C)CC[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001258593036 1039446704 /nfs/dbraw/zinc/44/67/04/1039446704.db2.gz KDOZZPNPUDIGJF-RTBURBONSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@H](C[C@@H](C)CC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258789432 1039512703 /nfs/dbraw/zinc/51/27/03/1039512703.db2.gz APNXOTBGUNMPPB-LSDHHAIUSA-N 1 3 350.507 2.539 20 0 FFADHO CCCN1CCC([N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001258778082 1039512824 /nfs/dbraw/zinc/51/28/24/1039512824.db2.gz URVTUNYAVJNICM-HXUWFJFHSA-N 1 3 367.534 2.573 20 0 FFADHO CCCN1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001258778082 1039512839 /nfs/dbraw/zinc/51/28/39/1039512839.db2.gz URVTUNYAVJNICM-HXUWFJFHSA-N 1 3 367.534 2.573 20 0 FFADHO COc1ccc(C[N@H+](C2CCNCC2)[C@@H]2CCN[C@@H](C(F)(F)F)C2)cc1 ZINC001246952343 1039546673 /nfs/dbraw/zinc/54/66/73/1039546673.db2.gz LABPHAULSGUFHC-SJLPKXTDSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(C[N@@H+](C2CCNCC2)[C@@H]2CCN[C@@H](C(F)(F)F)C2)cc1 ZINC001246952343 1039546692 /nfs/dbraw/zinc/54/66/92/1039546692.db2.gz LABPHAULSGUFHC-SJLPKXTDSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(CN(C2CC[NH2+]CC2)[C@@H]2CCN[C@@H](C(F)(F)F)C2)cc1 ZINC001246952343 1039546710 /nfs/dbraw/zinc/54/67/10/1039546710.db2.gz LABPHAULSGUFHC-SJLPKXTDSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(C[N@H+](C2CCNCC2)[C@H]2CCN[C@H](C(F)(F)F)C2)cc1 ZINC001246952345 1039546862 /nfs/dbraw/zinc/54/68/62/1039546862.db2.gz LABPHAULSGUFHC-WMZOPIPTSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(C[N@@H+](C2CCNCC2)[C@H]2CCN[C@H](C(F)(F)F)C2)cc1 ZINC001246952345 1039546873 /nfs/dbraw/zinc/54/68/73/1039546873.db2.gz LABPHAULSGUFHC-WMZOPIPTSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(CN(C2CC[NH2+]CC2)[C@H]2CCN[C@H](C(F)(F)F)C2)cc1 ZINC001246952345 1039546889 /nfs/dbraw/zinc/54/68/89/1039546889.db2.gz LABPHAULSGUFHC-WMZOPIPTSA-N 1 3 371.447 2.932 20 0 FFADHO CCCCOC[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252510913 1039570273 /nfs/dbraw/zinc/57/02/73/1039570273.db2.gz SDGDAZGUZVCRRS-FQEVSTJZSA-N 1 3 361.530 2.547 20 0 FFADHO C[NH+](C)CCN1CCC2(CN(Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001278487758 1039788374 /nfs/dbraw/zinc/78/83/74/1039788374.db2.gz BIEVHVYYNAOJIZ-UHFFFAOYSA-N 1 3 356.539 2.879 20 0 FFADHO FC(F)(F)c1cc(Cl)ccc1-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247832715 1039980575 /nfs/dbraw/zinc/98/05/75/1039980575.db2.gz XZIIMVNIDNOKPZ-NSHDSACASA-N 1 3 358.751 2.685 20 0 FFADHO CCN(CC)C[C@H](O)C[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001253192302 1040034426 /nfs/dbraw/zinc/03/44/26/1040034426.db2.gz NYKLWTZFBOXWEB-QFIPXVFZSA-N 1 3 370.541 2.969 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC(C)(C)C[NH+]3CCCC3)C2)cc1 ZINC001248459701 1040283749 /nfs/dbraw/zinc/28/37/49/1040283749.db2.gz JJOONCJLBNXLDP-FQEVSTJZSA-N 1 3 372.557 2.991 20 0 FFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC001253847810 1040411153 /nfs/dbraw/zinc/41/11/53/1040411153.db2.gz SXNOVYDFUGJWDQ-NRFANRHFSA-N 1 3 369.509 2.632 20 0 FFADHO OC1(C[NH2+]CCOc2cccc(F)c2)CCN(Cc2ccccc2)CC1 ZINC001254050529 1040552197 /nfs/dbraw/zinc/55/21/97/1040552197.db2.gz MFGOWXZCIXVEDJ-UHFFFAOYSA-N 1 3 358.457 2.821 20 0 FFADHO Cc1ccc([C@@H](CO)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254055080 1040556232 /nfs/dbraw/zinc/55/62/32/1040556232.db2.gz IFTHTXKJIXKJFK-OAQYLSRUSA-N 1 3 354.494 2.645 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254266516 1040650800 /nfs/dbraw/zinc/65/08/00/1040650800.db2.gz LVLKIHXWQUKVNF-GOSISDBHSA-N 1 3 366.347 2.532 20 0 FFADHO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254369470 1040685689 /nfs/dbraw/zinc/68/56/89/1040685689.db2.gz QWBREKNEAGLETI-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254369470 1040685692 /nfs/dbraw/zinc/68/56/92/1040685692.db2.gz QWBREKNEAGLETI-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC1 ZINC001254523735 1040778750 /nfs/dbraw/zinc/77/87/50/1040778750.db2.gz VRFQYNAFXKIAKW-ABSDTBQOSA-N 1 3 363.477 2.707 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC1 ZINC001254523735 1040778764 /nfs/dbraw/zinc/77/87/64/1040778764.db2.gz VRFQYNAFXKIAKW-ABSDTBQOSA-N 1 3 363.477 2.707 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254691727 1040885391 /nfs/dbraw/zinc/88/53/91/1040885391.db2.gz WGCDQICEIUCUKX-OWCLPIDISA-N 1 3 369.575 2.944 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254691727 1040885405 /nfs/dbraw/zinc/88/54/05/1040885405.db2.gz WGCDQICEIUCUKX-OWCLPIDISA-N 1 3 369.575 2.944 20 0 FFADHO Cc1ccc(Cl)nc1CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001278548219 1041096587 /nfs/dbraw/zinc/09/65/87/1041096587.db2.gz CZAKFEPIGJRRDE-IBGZPJMESA-N 1 3 350.938 2.893 20 0 FFADHO FC(F)(F)c1nn([C@H]2CC[N@H+](Cc3ccccc3)C2)c2c1CCNC2 ZINC001255120021 1041155467 /nfs/dbraw/zinc/15/54/67/1041155467.db2.gz IPECIKKPOYEGLX-AWEZNQCLSA-N 1 3 350.388 2.995 20 0 FFADHO FC(F)(F)c1nn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2c1CCNC2 ZINC001255120021 1041155476 /nfs/dbraw/zinc/15/54/76/1041155476.db2.gz IPECIKKPOYEGLX-AWEZNQCLSA-N 1 3 350.388 2.995 20 0 FFADHO OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001255128280 1041160946 /nfs/dbraw/zinc/16/09/46/1041160946.db2.gz OOTUPZZCZPUNFL-HPAIXVDQSA-N 1 3 366.505 2.866 20 0 FFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3cccnc3)CC1)C2 ZINC001255191079 1041189860 /nfs/dbraw/zinc/18/98/60/1041189860.db2.gz DHWWAFHIRNOYGZ-REPLKXPHSA-N 1 3 372.513 2.569 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CCN1Cc1ccccc1 ZINC001261376696 1041198271 /nfs/dbraw/zinc/19/82/71/1041198271.db2.gz WMHFIFYMPXXVDF-UYAOXDASSA-N 1 3 370.541 2.825 20 0 FFADHO C[NH2+][C@H](C)CCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001261376587 1041198964 /nfs/dbraw/zinc/19/89/64/1041198964.db2.gz SPEGADLVWVEFOW-CQSZACIVSA-N 1 3 374.451 2.777 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]([NH3+])C3CCCCC3)c(C)c2)CC1 ZINC001261502515 1041275955 /nfs/dbraw/zinc/27/59/55/1041275955.db2.gz OZSWOKRJOVCQQV-HXUWFJFHSA-N 1 3 358.530 2.983 20 0 FFADHO COc1cccc([C@H](O)C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001250707874 1041316870 /nfs/dbraw/zinc/31/68/70/1041316870.db2.gz XJFDUUDDFAXUKX-NHCUHLMSSA-N 1 3 362.514 2.551 20 0 FFADHO COc1cccc([C@H](O)C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001250707874 1041316879 /nfs/dbraw/zinc/31/68/79/1041316879.db2.gz XJFDUUDDFAXUKX-NHCUHLMSSA-N 1 3 362.514 2.551 20 0 FFADHO OC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC001255393252 1041319182 /nfs/dbraw/zinc/31/91/82/1041319182.db2.gz MUMSVXBTAAOYOO-FSSWDIPSSA-N 1 3 354.494 2.725 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001214755192 1041564018 /nfs/dbraw/zinc/56/40/18/1041564018.db2.gz VIHJNQRYVGTVFL-ATZDWAIDSA-N 1 3 367.484 2.751 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001215189053 1041693975 /nfs/dbraw/zinc/69/39/75/1041693975.db2.gz NYEMFFVWFZNDPK-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC001215536239 1041818021 /nfs/dbraw/zinc/81/80/21/1041818021.db2.gz NRLBFKNGXCPQSG-MBOZVWFJSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001215680655 1041858287 /nfs/dbraw/zinc/85/82/87/1041858287.db2.gz HRFKURNQZYAZBE-GFNFTKFASA-N 1 3 358.873 2.756 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778339 1041879649 /nfs/dbraw/zinc/87/96/49/1041879649.db2.gz HEFAOOVNENWSHM-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001216511169 1042044599 /nfs/dbraw/zinc/04/45/99/1042044599.db2.gz KXKMSIQLEHWQJB-CRAIPNDOSA-N 1 3 351.922 2.661 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772791 1042118787 /nfs/dbraw/zinc/11/87/87/1042118787.db2.gz KVZXPXITHAOLPY-NVXWUHKLSA-N 1 3 364.559 2.654 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1c(C)nsc1C ZINC001264006636 1042577996 /nfs/dbraw/zinc/57/79/96/1042577996.db2.gz FKBUHFIBTFGAHD-PBHICJAKSA-N 1 3 366.575 2.818 20 0 FFADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001264595930 1042732715 /nfs/dbraw/zinc/73/27/15/1042732715.db2.gz AZDDHCJCKOBUAQ-VAMGGRTRSA-N 1 3 361.505 2.994 20 0 FFADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001264595930 1042732719 /nfs/dbraw/zinc/73/27/19/1042732719.db2.gz AZDDHCJCKOBUAQ-VAMGGRTRSA-N 1 3 361.505 2.994 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264658108 1042774688 /nfs/dbraw/zinc/77/46/88/1042774688.db2.gz CAUVQNRITDPEDQ-CTNGQTDRSA-N 1 3 370.541 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC001265777980 1042876822 /nfs/dbraw/zinc/87/68/22/1042876822.db2.gz YNSHDIKVQAFAOT-RVSPLBMKSA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC001265777980 1042876824 /nfs/dbraw/zinc/87/68/24/1042876824.db2.gz YNSHDIKVQAFAOT-RVSPLBMKSA-N 1 3 355.885 2.804 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2cccc(O)c2)CC3)n(C)n1 ZINC001279140156 1042915505 /nfs/dbraw/zinc/91/55/05/1042915505.db2.gz UOUCRDPZVLFJHX-UHFFFAOYSA-N 1 3 354.498 2.922 20 0 FFADHO Cc1[nH]c2ncccc2c1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279294959 1042988182 /nfs/dbraw/zinc/98/81/82/1042988182.db2.gz XQDWPUOBVODURW-UHFFFAOYSA-N 1 3 355.530 2.721 20 0 FFADHO Cc1[nH]c2ncccc2c1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279294959 1042988183 /nfs/dbraw/zinc/98/81/83/1042988183.db2.gz XQDWPUOBVODURW-UHFFFAOYSA-N 1 3 355.530 2.721 20 0 FFADHO COCc1ccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)o1 ZINC001279306585 1042993130 /nfs/dbraw/zinc/99/31/30/1042993130.db2.gz NFQLNEFQLDYOPZ-UHFFFAOYSA-N 1 3 358.486 2.611 20 0 FFADHO COCc1ccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)o1 ZINC001279306585 1042993133 /nfs/dbraw/zinc/99/31/33/1042993133.db2.gz NFQLNEFQLDYOPZ-UHFFFAOYSA-N 1 3 358.486 2.611 20 0 FFADHO COC(=O)c1cccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001279359730 1043026415 /nfs/dbraw/zinc/02/64/15/1043026415.db2.gz NEYWLLUVHYEFGP-RTWAWAEBSA-N 1 3 359.514 2.559 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc(OC)cc3F)(C1)CCC2 ZINC001279367065 1043031308 /nfs/dbraw/zinc/03/13/08/1043031308.db2.gz GWPNQXSJUGIRFW-UXHICEINSA-N 1 3 366.477 2.979 20 0 FFADHO Cc1cc(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)ccc1F ZINC001279369727 1043032953 /nfs/dbraw/zinc/03/29/53/1043032953.db2.gz TUOLMWLDQCXBKK-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO CC(C)Oc1ncccc1CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279407074 1043067274 /nfs/dbraw/zinc/06/72/74/1043067274.db2.gz XCMTXQWALKYBPV-NRFANRHFSA-N 1 3 360.546 2.718 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4cc(C)ccn4)C[C@H]3CC2)n(C)n1 ZINC001279407573 1043068947 /nfs/dbraw/zinc/06/89/47/1043068947.db2.gz UXVXPSYZWAHVPY-KDURUIRLSA-N 1 3 353.514 2.776 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4cc(C)ccn4)C[C@H]3CC2)n(C)n1 ZINC001279407573 1043068956 /nfs/dbraw/zinc/06/89/56/1043068956.db2.gz UXVXPSYZWAHVPY-KDURUIRLSA-N 1 3 353.514 2.776 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(OC)ccc3F)(C1)CCC2 ZINC001279441415 1043115928 /nfs/dbraw/zinc/11/59/28/1043115928.db2.gz NTZYXHKWXOWTRW-UXHICEINSA-N 1 3 366.477 2.979 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001279449813 1043128772 /nfs/dbraw/zinc/12/87/72/1043128772.db2.gz QNNTZDIQQXNCQW-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccccc1NC(=O)C(C)(C)C ZINC001237398276 1043139787 /nfs/dbraw/zinc/13/97/87/1043139787.db2.gz ZRCYKPPTKCHGPK-VQTJNVASSA-N 1 3 372.557 2.881 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccccc1NC(=O)C(C)(C)C ZINC001237398276 1043139790 /nfs/dbraw/zinc/13/97/90/1043139790.db2.gz ZRCYKPPTKCHGPK-VQTJNVASSA-N 1 3 372.557 2.881 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc3cc(C)ccc3n2)CCC12C[NH2+]C2 ZINC001237430299 1043156278 /nfs/dbraw/zinc/15/62/78/1043156278.db2.gz LWSPVOWYXCWFBB-GOSISDBHSA-N 1 3 353.466 2.518 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cc(C)cc(C)c2Cl)CCC12C[NH2+]C2 ZINC001237433012 1043157616 /nfs/dbraw/zinc/15/76/16/1043157616.db2.gz ZIFRFLJWSIIPDR-MRXNPFEDSA-N 1 3 350.890 2.931 20 0 FFADHO COC(=O)[C@H](C)CN1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001279517184 1043214240 /nfs/dbraw/zinc/21/42/40/1043214240.db2.gz IUAHBRKTTQSYGZ-ZBFHGGJFSA-N 1 3 350.425 2.926 20 0 FFADHO COC(=O)[C@H](C)CN1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279517184 1043214248 /nfs/dbraw/zinc/21/42/48/1043214248.db2.gz IUAHBRKTTQSYGZ-ZBFHGGJFSA-N 1 3 350.425 2.926 20 0 FFADHO Cc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)CN(C)C)C3)n(C)n1 ZINC001279590446 1043303274 /nfs/dbraw/zinc/30/32/74/1043303274.db2.gz BOIZBNCKVSLSSR-OAQYLSRUSA-N 1 3 361.578 2.604 20 0 FFADHO Cc1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)CN(C)C)C3)n(C)n1 ZINC001279590446 1043303279 /nfs/dbraw/zinc/30/32/79/1043303279.db2.gz BOIZBNCKVSLSSR-OAQYLSRUSA-N 1 3 361.578 2.604 20 0 FFADHO NC(=O)c1cccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001237691948 1043314770 /nfs/dbraw/zinc/31/47/70/1043314770.db2.gz CKXCIRYJMYOYOC-UHFFFAOYSA-N 1 3 353.466 2.867 20 0 FFADHO NC(=O)c1cccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001237691948 1043314779 /nfs/dbraw/zinc/31/47/79/1043314779.db2.gz CKXCIRYJMYOYOC-UHFFFAOYSA-N 1 3 353.466 2.867 20 0 FFADHO COc1ccc(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1 ZINC001279635519 1043377406 /nfs/dbraw/zinc/37/74/06/1043377406.db2.gz GEBXKGFSKZXHNY-UHFFFAOYSA-N 1 3 354.498 2.532 20 0 FFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cncc(Cl)c3)C2)C1 ZINC001279641272 1043384462 /nfs/dbraw/zinc/38/44/62/1043384462.db2.gz GXFLECIVWXIAST-LJQANCHMSA-N 1 3 350.938 2.975 20 0 FFADHO Cc1cc(Cl)cc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)n1 ZINC001279646787 1043396012 /nfs/dbraw/zinc/39/60/12/1043396012.db2.gz YKGJLSZVZWQCGX-LJQANCHMSA-N 1 3 350.938 2.893 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1c(Cl)ccnc1Cl)CC2 ZINC001279718308 1043522420 /nfs/dbraw/zinc/52/24/20/1043522420.db2.gz VWIHKYUVEQDNTR-UHFFFAOYSA-N 1 3 357.329 2.848 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3cnc(Cl)s3)(C1)C2 ZINC001279843036 1043758867 /nfs/dbraw/zinc/75/88/67/1043758867.db2.gz PVTDUTRVLDPWBR-UHFFFAOYSA-N 1 3 370.950 2.609 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)N(C)C)cc1 ZINC001311570145 1043939861 /nfs/dbraw/zinc/93/98/61/1043939861.db2.gz DYABIEJFTXSDDW-WOJBJXKFSA-N 1 3 360.546 2.977 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)N(C)C)cc1 ZINC001311570145 1043939867 /nfs/dbraw/zinc/93/98/67/1043939867.db2.gz DYABIEJFTXSDDW-WOJBJXKFSA-N 1 3 360.546 2.977 20 0 FFADHO CN(C)CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001239307381 1044096000 /nfs/dbraw/zinc/09/60/00/1044096000.db2.gz BHBCRYRYYMLIRO-CQSZACIVSA-N 1 3 374.407 2.733 20 0 FFADHO FC(F)(F)CCC[NH2+][C@@]12CC[C@@](NC[C@@H]3COCCO3)(C1)CCC2 ZINC001280029290 1044106112 /nfs/dbraw/zinc/10/61/12/1044106112.db2.gz XBCMBMBOTZKGPX-OWCLPIDISA-N 1 3 350.425 2.769 20 0 FFADHO S=C(NCCN1CCCCC1)N1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001239431793 1044121014 /nfs/dbraw/zinc/12/10/14/1044121014.db2.gz QVRZDMQZINAHPF-TZIWHRDSSA-N 1 3 372.582 2.568 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CCN(Cc2ccc3ncccc3c2)[C@@H]1C)[NH+](C)C ZINC001316791664 1044990096 /nfs/dbraw/zinc/99/00/96/1044990096.db2.gz VTZSKDPFBSJJOP-LKUPVBHCSA-N 1 3 368.525 2.900 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)N1CCc2ccccc2C1 ZINC001318501877 1045315738 /nfs/dbraw/zinc/31/57/38/1045315738.db2.gz CHJVUHOIRMNLIS-NJDAHSKKSA-N 1 3 372.557 2.995 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)cc2)cn1 ZINC001321500790 1045686177 /nfs/dbraw/zinc/68/61/77/1045686177.db2.gz LFAQEIRCHJWRSR-FGZHOGPDSA-N 1 3 368.525 2.945 20 0 FFADHO O=C1c2ccccc2C(=O)N1CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC001321577043 1045714613 /nfs/dbraw/zinc/71/46/13/1045714613.db2.gz GPLJYDNYIYRXLO-UHFFFAOYSA-N 1 3 369.509 2.871 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001321744992 1045783349 /nfs/dbraw/zinc/78/33/49/1045783349.db2.gz WPGFGLYCHIBGGH-RTBURBONSA-N 1 3 364.509 2.772 20 0 FFADHO Cc1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cnn1-c1ccncc1 ZINC001324541040 1046091793 /nfs/dbraw/zinc/09/17/93/1046091793.db2.gz PUPIKNYZPICFAV-QGZVFWFLSA-N 1 3 355.467 2.670 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccco1 ZINC001325323290 1046468680 /nfs/dbraw/zinc/46/86/80/1046468680.db2.gz FGGAERVINFTRHA-DLBZAZTESA-N 1 3 362.518 2.884 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(N(C)C)CCCC2)cc1 ZINC001540720252 1070976969 /nfs/dbraw/zinc/97/69/69/1070976969.db2.gz MUHLKDWSWPDVIY-UHFFFAOYSA-N 1 3 374.529 2.571 20 0 FFADHO COc1ccccc1C1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC1 ZINC001328647411 1048399230 /nfs/dbraw/zinc/39/92/30/1048399230.db2.gz JRUZRLCRPMBLPS-KRWDZBQOSA-N 1 3 361.530 2.505 20 0 FFADHO COc1ccccc1C1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC1 ZINC001328647411 1048399239 /nfs/dbraw/zinc/39/92/39/1048399239.db2.gz JRUZRLCRPMBLPS-KRWDZBQOSA-N 1 3 361.530 2.505 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C/C=C\c2ccccc2)CC[N@@H+]1C ZINC001328738321 1048443053 /nfs/dbraw/zinc/44/30/53/1048443053.db2.gz SNHFQRRYRJDSJC-ZNGSKVMBSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)C/C=C\c2ccccc2)CC[N@H+]1C ZINC001328738321 1048443057 /nfs/dbraw/zinc/44/30/57/1048443057.db2.gz SNHFQRRYRJDSJC-ZNGSKVMBSA-N 1 3 355.526 2.963 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1)N(C)C ZINC001316654977 1049673962 /nfs/dbraw/zinc/67/39/62/1049673962.db2.gz KKKNDHLYVVMIET-MORSLUCNSA-N 1 3 353.457 2.680 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001295991144 1050009817 /nfs/dbraw/zinc/00/98/17/1050009817.db2.gz ACEDQOKUHOUGKI-SJORKVTESA-N 1 3 374.577 2.949 20 0 FFADHO CC(C)[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001541605360 1071126183 /nfs/dbraw/zinc/12/61/83/1071126183.db2.gz CAKRVEMETLHSRW-UHFFFAOYSA-N 1 3 373.549 2.534 20 0 FFADHO CC(C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001541605360 1071126187 /nfs/dbraw/zinc/12/61/87/1071126187.db2.gz CAKRVEMETLHSRW-UHFFFAOYSA-N 1 3 373.549 2.534 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(F)cc1 ZINC001342331157 1050923898 /nfs/dbraw/zinc/92/38/98/1050923898.db2.gz NLLUTTHKARFHNE-SQNIBIBYSA-N 1 3 350.482 2.600 20 0 FFADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1)C1CCCC1 ZINC001340955266 1051286573 /nfs/dbraw/zinc/28/65/73/1051286573.db2.gz YJFMZHYAXMAFET-OXQOHEQNSA-N 1 3 371.525 2.928 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342799917 1051408946 /nfs/dbraw/zinc/40/89/46/1051408946.db2.gz ADLRAWOUZKTZAH-GOSISDBHSA-N 1 3 374.577 2.952 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001306187833 1052059526 /nfs/dbraw/zinc/05/95/26/1052059526.db2.gz NWORPKGHOOXOEW-UHFFFAOYSA-N 1 3 362.566 2.637 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001308936645 1052521830 /nfs/dbraw/zinc/52/18/30/1052521830.db2.gz PYJKWPOICZRHFJ-PYBGIAKNSA-N 1 3 350.425 2.719 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001308977566 1052530103 /nfs/dbraw/zinc/53/01/03/1052530103.db2.gz CCNAKPBRDHNULP-AYKGOLRVSA-N 1 3 367.534 2.665 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCN(C)C2)c(OC)c1 ZINC001336021794 1053711132 /nfs/dbraw/zinc/71/11/32/1053711132.db2.gz TVPFKSNVGDDPJM-LVLPYEQSSA-N 1 3 362.514 2.790 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001543653719 1071516977 /nfs/dbraw/zinc/51/69/77/1071516977.db2.gz VEFGQCLTIUCJPL-HZEGPAAWSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001543653719 1071516986 /nfs/dbraw/zinc/51/69/86/1071516986.db2.gz VEFGQCLTIUCJPL-HZEGPAAWSA-N 1 3 355.526 2.888 20 0 FFADHO C[N@@H+]1CC[C@@H](CNC[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC001338450334 1055526239 /nfs/dbraw/zinc/52/62/39/1055526239.db2.gz VLGIWRHRLORBTA-NHYWBVRUSA-N 1 3 361.711 2.851 20 0 FFADHO C[N@H+]1CC[C@@H](CNC[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC001338450334 1055526255 /nfs/dbraw/zinc/52/62/55/1055526255.db2.gz VLGIWRHRLORBTA-NHYWBVRUSA-N 1 3 361.711 2.851 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC001356610443 1055613501 /nfs/dbraw/zinc/61/35/01/1055613501.db2.gz PSYAAQCLUGOKOA-FUHWJXTLSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC001356610443 1055613507 /nfs/dbraw/zinc/61/35/07/1055613507.db2.gz PSYAAQCLUGOKOA-FUHWJXTLSA-N 1 3 354.922 2.928 20 0 FFADHO [NH2+]=C(NC[C@@H](O)c1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000849068091 1055626632 /nfs/dbraw/zinc/62/66/32/1055626632.db2.gz SFYAYBWWQNMIFS-HXUWFJFHSA-N 1 3 370.472 2.638 20 0 FFADHO C[C@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCCC[C@@H]1O ZINC000849096762 1055639208 /nfs/dbraw/zinc/63/92/08/1055639208.db2.gz QYRWGCPGMUDEGY-PZJWPPBQSA-N 1 3 358.530 2.706 20 0 FFADHO CCOC(=O)N1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001200096537 1055687112 /nfs/dbraw/zinc/68/71/12/1055687112.db2.gz UUQJXXOZLHXPRG-IBGZPJMESA-N 1 3 359.514 2.762 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCC[NH2+]C3)N(C)C)cc1 ZINC001357368663 1055881553 /nfs/dbraw/zinc/88/15/53/1055881553.db2.gz QMNMWASUUOVVBH-IBGZPJMESA-N 1 3 353.466 2.510 20 0 FFADHO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001357413968 1055896270 /nfs/dbraw/zinc/89/62/70/1055896270.db2.gz KZRUFVOWCOSOKF-DNVCBOLYSA-N 1 3 365.493 2.549 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001339172061 1056164712 /nfs/dbraw/zinc/16/47/12/1056164712.db2.gz HSMXCSCEHUUMEF-RTWAWAEBSA-N 1 3 372.557 2.578 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001339172058 1056164848 /nfs/dbraw/zinc/16/48/48/1056164848.db2.gz HSMXCSCEHUUMEF-LEWJYISDSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc3c2OCCNC3)C1 ZINC001353508119 1056471819 /nfs/dbraw/zinc/47/18/19/1056471819.db2.gz IQBHDJLPIIKNGN-APWZRJJASA-N 1 3 365.477 2.734 20 0 FFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc3c2OCCNC3)C1 ZINC001353508119 1056471822 /nfs/dbraw/zinc/47/18/22/1056471822.db2.gz IQBHDJLPIIKNGN-APWZRJJASA-N 1 3 365.477 2.734 20 0 FFADHO [NH2+]=C(NCCCC1CCOCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849113583 1056767422 /nfs/dbraw/zinc/76/74/22/1056767422.db2.gz VHYGFXDIDLWIGH-UHFFFAOYSA-N 1 3 358.530 2.972 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000849348817 1056835852 /nfs/dbraw/zinc/83/58/52/1056835852.db2.gz QNYWJBXIPFHCNM-IBGZPJMESA-N 1 3 374.529 2.893 20 0 FFADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001545132872 1071738392 /nfs/dbraw/zinc/73/83/92/1071738392.db2.gz ZJWDROIAEDWKGU-LEWJYISDSA-N 1 3 357.542 2.945 20 0 FFADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001545132872 1071738395 /nfs/dbraw/zinc/73/83/95/1071738395.db2.gz ZJWDROIAEDWKGU-LEWJYISDSA-N 1 3 357.542 2.945 20 0 FFADHO CCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001499178032 1058256212 /nfs/dbraw/zinc/25/62/12/1058256212.db2.gz JLXWIZJGHMGHBI-GOSISDBHSA-N 1 3 364.582 2.595 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001354246176 1058765978 /nfs/dbraw/zinc/76/59/78/1058765978.db2.gz HPZAHMOYPSMRBI-NJYVYQBISA-N 1 3 370.541 2.721 20 0 FFADHO C[C@@H]([NH3+])C1(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)CCOCC1 ZINC001354620469 1059262573 /nfs/dbraw/zinc/26/25/73/1059262573.db2.gz AHHAOWLSHYRACX-QUCCMNQESA-N 1 3 373.541 2.644 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1ccc2ncccc2c1 ZINC001505922545 1059416478 /nfs/dbraw/zinc/41/64/78/1059416478.db2.gz PMMHLGWJJCFWQP-GPMSIDNRSA-N 1 3 354.498 2.512 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)Cc1ccc2ncccc2c1 ZINC001505922545 1059416486 /nfs/dbraw/zinc/41/64/86/1059416486.db2.gz PMMHLGWJJCFWQP-GPMSIDNRSA-N 1 3 354.498 2.512 20 0 FFADHO C[C@H](CC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21)C1CC[NH2+]CC1 ZINC001355233121 1060019093 /nfs/dbraw/zinc/01/90/93/1060019093.db2.gz RNDDTRRFVXMKDW-NEWSRXKRSA-N 1 3 371.525 2.521 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001355547561 1060349135 /nfs/dbraw/zinc/34/91/35/1060349135.db2.gz LLHXSHSNCZFYAL-WAOWUJCRSA-N 1 3 357.498 2.623 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001511886493 1060458258 /nfs/dbraw/zinc/45/82/58/1060458258.db2.gz NZKGOFOPILRXGY-QGZVFWFLSA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001547636365 1071979102 /nfs/dbraw/zinc/97/91/02/1071979102.db2.gz UTARVEWKDNCPEK-XYJFISCASA-N 1 3 362.566 2.661 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@@H]3O)C2)ccn1 ZINC001460506334 1061006759 /nfs/dbraw/zinc/00/67/59/1061006759.db2.gz NFJUWRLUPKEOCK-WMQCIHAUSA-N 1 3 361.530 2.926 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@@H]3O)C2)ccn1 ZINC001460506334 1061006782 /nfs/dbraw/zinc/00/67/82/1061006782.db2.gz NFJUWRLUPKEOCK-WMQCIHAUSA-N 1 3 361.530 2.926 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 ZINC001462673537 1061719058 /nfs/dbraw/zinc/71/90/58/1061719058.db2.gz XQFYWAQZRCLYJY-HBMCJLEFSA-N 1 3 371.525 2.965 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001360025775 1061881551 /nfs/dbraw/zinc/88/15/51/1061881551.db2.gz MPEDTANPMQWTCN-LJQANCHMSA-N 1 3 374.577 2.664 20 0 FFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001479171724 1062267955 /nfs/dbraw/zinc/26/79/55/1062267955.db2.gz IABIOTXYDMGCNY-HLIPFELVSA-N 1 3 353.526 2.922 20 0 FFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001479171724 1062267976 /nfs/dbraw/zinc/26/79/76/1062267976.db2.gz IABIOTXYDMGCNY-HLIPFELVSA-N 1 3 353.526 2.922 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)cc1F ZINC001479494661 1062483664 /nfs/dbraw/zinc/48/36/64/1062483664.db2.gz JNJLAMOQUXDLQV-DOTOQJQBSA-N 1 3 365.493 2.549 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc3cccnc32)[C@@H]1C)N(C)C ZINC001479708931 1062861847 /nfs/dbraw/zinc/86/18/47/1062861847.db2.gz UUWFDFMAOXTLST-PBEJRMEISA-N 1 3 368.525 2.900 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc3cccnc32)[C@@H]1C)N(C)C ZINC001479708931 1062861867 /nfs/dbraw/zinc/86/18/67/1062861867.db2.gz UUWFDFMAOXTLST-PBEJRMEISA-N 1 3 368.525 2.900 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC001465491137 1063114220 /nfs/dbraw/zinc/11/42/20/1063114220.db2.gz JBJDOCOXDZNGAS-SFHVURJKSA-N 1 3 359.514 2.702 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC001465491137 1063114234 /nfs/dbraw/zinc/11/42/34/1063114234.db2.gz JBJDOCOXDZNGAS-SFHVURJKSA-N 1 3 359.514 2.702 20 0 FFADHO CCN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCN(C)C1 ZINC001467576793 1063789450 /nfs/dbraw/zinc/78/94/50/1063789450.db2.gz FKSXEFYORRZGJO-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC001467682455 1063818627 /nfs/dbraw/zinc/81/86/27/1063818627.db2.gz CYYFXELQDMGQBL-QGZVFWFLSA-N 1 3 367.497 2.778 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(Nc3ccncc3)cc2)C1 ZINC001467682455 1063818634 /nfs/dbraw/zinc/81/86/34/1063818634.db2.gz CYYFXELQDMGQBL-QGZVFWFLSA-N 1 3 367.497 2.778 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C)C1 ZINC001468301436 1063961790 /nfs/dbraw/zinc/96/17/90/1063961790.db2.gz AVJLLZFSVNIGKK-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC001468301436 1063961804 /nfs/dbraw/zinc/96/18/04/1063961804.db2.gz AVJLLZFSVNIGKK-LJQANCHMSA-N 1 3 358.530 2.559 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3CCCCN3C)C2)CC1 ZINC001471508867 1064701654 /nfs/dbraw/zinc/70/16/54/1064701654.db2.gz MEOHHHGGZRQSSB-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001471568945 1064718347 /nfs/dbraw/zinc/71/83/47/1064718347.db2.gz VVTBJKJNWWZEPB-IBGZPJMESA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC001471568945 1064718363 /nfs/dbraw/zinc/71/83/63/1064718363.db2.gz VVTBJKJNWWZEPB-IBGZPJMESA-N 1 3 372.557 2.882 20 0 FFADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC2(C)CCC2)CC1 ZINC001575599147 1078155976 /nfs/dbraw/zinc/15/59/76/1078155976.db2.gz BIZSYALRLXOJDK-KRWDZBQOSA-N 1 3 360.550 2.671 20 0 FFADHO CNC(=O)[C@@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001473160204 1065210663 /nfs/dbraw/zinc/21/06/63/1065210663.db2.gz IGQDTWDOERUCFD-OAQYLSRUSA-N 1 3 357.542 2.789 20 0 FFADHO CNC(=O)[C@@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001473160204 1065210669 /nfs/dbraw/zinc/21/06/69/1065210669.db2.gz IGQDTWDOERUCFD-OAQYLSRUSA-N 1 3 357.542 2.789 20 0 FFADHO C[C@@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCCC2)C[C@@H]1C ZINC001576740332 1078269036 /nfs/dbraw/zinc/26/90/36/1078269036.db2.gz IMVKNPDONMTPBH-SQNIBIBYSA-N 1 3 360.550 2.671 20 0 FFADHO CC[C@H](C)c1nnc(N2CC[C@@H]([NH3+])C2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001577023029 1078295765 /nfs/dbraw/zinc/29/57/65/1078295765.db2.gz WGXKSOQYUGBNOU-QGTPRVQTSA-N 1 3 374.508 2.771 20 0 FFADHO CCC1(Cn2c([C@@H]3CCC[NH2+]3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001577222439 1078318957 /nfs/dbraw/zinc/31/89/57/1078318957.db2.gz FBNIHYOXKXQIJY-KRWDZBQOSA-N 1 3 360.550 2.671 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCCC[NH2+]1)c1ccsc1 ZINC001577680998 1078387242 /nfs/dbraw/zinc/38/72/42/1078387242.db2.gz INDPWDUMNKZAAV-SJORKVTESA-N 1 3 352.548 2.962 20 0 FFADHO CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@H](c1cccs1)N(C)C ZINC001577657948 1078385305 /nfs/dbraw/zinc/38/53/05/1078385305.db2.gz UTQAXVVZIAWQPN-LSDHHAIUSA-N 1 3 362.547 2.566 20 0 FFADHO CN(CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)Cc1ccncc1 ZINC001578466412 1078477126 /nfs/dbraw/zinc/47/71/26/1078477126.db2.gz LAMVKNPVPHWHBM-AQNXPRMDSA-N 1 3 358.530 2.673 20 0 FFADHO Cc1c(Br)cccc1CCN[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC001579516494 1078638235 /nfs/dbraw/zinc/63/82/35/1078638235.db2.gz NKORXFDMCJYRPO-HOTGVXAUSA-N 1 3 353.304 2.786 20 0 FFADHO N[C@H](C[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)CC(F)F ZINC001580131237 1078753574 /nfs/dbraw/zinc/75/35/74/1078753574.db2.gz BTJRJTQDBKDUTI-UONOGXRCSA-N 1 3 351.363 2.852 20 0 FFADHO [NH3+][C@H](CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)CC(F)F ZINC001580131237 1078753578 /nfs/dbraw/zinc/75/35/78/1078753578.db2.gz BTJRJTQDBKDUTI-UONOGXRCSA-N 1 3 351.363 2.852 20 0 FFADHO [NH3+][C@H](CN[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)CC(F)F ZINC001580131900 1078753724 /nfs/dbraw/zinc/75/37/24/1078753724.db2.gz IIJLVNFJHAUIAE-NWDGAFQWSA-N 1 3 356.367 2.715 20 0 FFADHO [NH3+][C@H](CN[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)CC(F)F ZINC001580131901 1078753826 /nfs/dbraw/zinc/75/38/26/1078753826.db2.gz IIJLVNFJHAUIAE-RYUDHWBXSA-N 1 3 356.367 2.715 20 0 FFADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001580251201 1078774984 /nfs/dbraw/zinc/77/49/84/1078774984.db2.gz BSKZQAWZEQJYBS-SVFBPWRDSA-N 1 3 356.514 2.564 20 0 FFADHO [NH3+]CC1CC(NCc2cc(Cl)ccc2I)C1 ZINC001580256657 1078776599 /nfs/dbraw/zinc/77/65/99/1078776599.db2.gz WRISNCJATYRBAQ-UHFFFAOYSA-N 1 3 350.631 2.772 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)NC[C@@H]3CCN3C3CCCC3)ccc21 ZINC001580304149 1078783531 /nfs/dbraw/zinc/78/35/31/1078783531.db2.gz CLAQOUHJRQYVKN-IBGZPJMESA-N 1 3 354.498 2.737 20 0 FFADHO [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)sc2C1 ZINC001549024896 1073597876 /nfs/dbraw/zinc/59/78/76/1073597876.db2.gz BAFDTHXRJNQGGN-HZPDHXFCSA-N 1 3 370.522 2.810 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(F)ccc3OC)C2)[C@H]1C(C)C ZINC001550424158 1074263738 /nfs/dbraw/zinc/26/37/38/1074263738.db2.gz YQJHUKPKWBXWQM-XEYPJELSSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(F)ccc3OC)C2)[C@H]1C(C)C ZINC001550424158 1074263743 /nfs/dbraw/zinc/26/37/43/1074263743.db2.gz YQJHUKPKWBXWQM-XEYPJELSSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc(OC)ccc3F)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424155 1074263788 /nfs/dbraw/zinc/26/37/88/1074263788.db2.gz YPNUGCTZQIFEIV-WCIQWLHISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc(OC)ccc3F)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424155 1074263795 /nfs/dbraw/zinc/26/37/95/1074263795.db2.gz YPNUGCTZQIFEIV-WCIQWLHISA-N 1 3 350.478 2.794 20 0 FFADHO C[C@H](c1cccc(OC(F)(F)F)c1)[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550701852 1074441838 /nfs/dbraw/zinc/44/18/38/1074441838.db2.gz GSFSQLAOBCJNTR-BXUZGUMPSA-N 1 3 355.364 2.643 20 0 FFADHO C[C@H](c1cccc(OC(F)(F)F)c1)[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550701852 1074441843 /nfs/dbraw/zinc/44/18/43/1074441843.db2.gz GSFSQLAOBCJNTR-BXUZGUMPSA-N 1 3 355.364 2.643 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3cccc(F)c3)C[N@@H+]2C1 ZINC001584098896 1079306682 /nfs/dbraw/zinc/30/66/82/1079306682.db2.gz NIUYMOIOVIYBEJ-IMFGXOCKSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3cccc(F)c3)C[N@H+]2C1 ZINC001584098896 1079306689 /nfs/dbraw/zinc/30/66/89/1079306689.db2.gz NIUYMOIOVIYBEJ-IMFGXOCKSA-N 1 3 361.505 2.836 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC001552359377 1075065758 /nfs/dbraw/zinc/06/57/58/1075065758.db2.gz BYBKHLLQNSFFCP-MOPGFXCFSA-N 1 3 357.523 2.771 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC001552359377 1075065761 /nfs/dbraw/zinc/06/57/61/1075065761.db2.gz BYBKHLLQNSFFCP-MOPGFXCFSA-N 1 3 357.523 2.771 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC001553441017 1075309297 /nfs/dbraw/zinc/30/92/97/1075309297.db2.gz MTWDNLUJVOFDAO-WOJBJXKFSA-N 1 3 370.541 2.607 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC001558132257 1075947973 /nfs/dbraw/zinc/94/79/73/1075947973.db2.gz PIFODFVEPKXGTB-GHTZIAJQSA-N 1 3 364.493 2.783 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560043505 1076216803 /nfs/dbraw/zinc/21/68/03/1076216803.db2.gz BGNLIMRITHWIFB-YKCBXCCJSA-N 1 3 351.535 2.763 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@H](C)C1 ZINC001560332886 1076264656 /nfs/dbraw/zinc/26/46/56/1076264656.db2.gz BBGFBAMYCABSOZ-DYESRHJHSA-N 1 3 373.541 2.805 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cc2c(s1)CCCC2 ZINC001563695573 1076575968 /nfs/dbraw/zinc/57/59/68/1076575968.db2.gz ZRBIZVWGKMXKHW-HNNXBMFYSA-N 1 3 366.575 2.698 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cc2c(s1)CCCC2 ZINC001563695573 1076575972 /nfs/dbraw/zinc/57/59/72/1076575972.db2.gz ZRBIZVWGKMXKHW-HNNXBMFYSA-N 1 3 366.575 2.698 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1)CC(C)C ZINC001565377293 1076720414 /nfs/dbraw/zinc/72/04/14/1076720414.db2.gz OFEZBJITYVXIKJ-PKOBYXMFSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1)CC(C)C ZINC001565377293 1076720418 /nfs/dbraw/zinc/72/04/18/1076720418.db2.gz OFEZBJITYVXIKJ-PKOBYXMFSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001565426377 1076727473 /nfs/dbraw/zinc/72/74/73/1076727473.db2.gz BKNQEICWMSITPB-MOPGFXCFSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001565426377 1076727476 /nfs/dbraw/zinc/72/74/76/1076727476.db2.gz BKNQEICWMSITPB-MOPGFXCFSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCOC2CCC2)C1)N1CCCCC1 ZINC001565894577 1076785920 /nfs/dbraw/zinc/78/59/20/1076785920.db2.gz KTVHWKDPMLIKBK-ZWKOTPCHSA-N 1 3 365.562 2.695 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1cccc(CC[NH+](C)C)c1)Cc1ccccc1 ZINC001587431892 1079791041 /nfs/dbraw/zinc/79/10/41/1079791041.db2.gz QLCKRRHURYUUSM-OAQYLSRUSA-N 1 3 353.510 2.693 20 0 FFADHO CC1([NH+]2CCCC2)CCC([NH2+][C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001590141549 1081047169 /nfs/dbraw/zinc/04/71/69/1081047169.db2.gz IKHQDWMYTCIGDL-SCCNAQOGSA-N 1 3 366.513 2.721 20 0 FFADHO CC1([NH+]2CCCC2)CCC([NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001590141549 1081047175 /nfs/dbraw/zinc/04/71/75/1081047175.db2.gz IKHQDWMYTCIGDL-SCCNAQOGSA-N 1 3 366.513 2.721 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000422956310 513989808 /nfs/dbraw/zinc/98/98/08/513989808.db2.gz PFWSMLINFJABMW-JSGCOSHPSA-N 1 3 354.292 2.803 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423149440 514059921 /nfs/dbraw/zinc/05/99/21/514059921.db2.gz AQJBWBTTYULZRR-IAOVAPTHSA-N 1 3 373.310 2.989 20 0 FFADHO CNC(=O)CC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093588239 250040422 /nfs/dbraw/zinc/04/04/22/250040422.db2.gz KKSVXBWGXDGOIM-UHFFFAOYSA-N 1 3 372.557 2.565 20 0 FFADHO CC(C)[NH+](CCNC(=O)NCC1CCN(c2ccncc2)CC1)C(C)C ZINC000093346188 250029862 /nfs/dbraw/zinc/02/98/62/250029862.db2.gz DIXFPVFMXCMXFV-UHFFFAOYSA-N 1 3 361.534 2.716 20 0 FFADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000102638801 250116758 /nfs/dbraw/zinc/11/67/58/250116758.db2.gz OAIMOXLIBNBXOL-MRXNPFEDSA-N 1 3 361.505 2.994 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000131976271 251034882 /nfs/dbraw/zinc/03/48/82/251034882.db2.gz NZHNVAVNBDKTFA-SFHVURJKSA-N 1 3 373.545 2.638 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000163237508 251179611 /nfs/dbraw/zinc/17/96/11/251179611.db2.gz CIFSLPFFLWZOHE-IRXDYDNUSA-N 1 3 367.559 2.710 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000267372930 251336966 /nfs/dbraw/zinc/33/69/66/251336966.db2.gz KKLBXKKAMCQCQM-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000268814297 251393014 /nfs/dbraw/zinc/39/30/14/251393014.db2.gz ICZWSFHNDZCAJH-DOTOQJQBSA-N 1 3 366.502 2.636 20 0 FFADHO CC[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)N(CC)CC ZINC000268788163 251383013 /nfs/dbraw/zinc/38/30/13/251383013.db2.gz WEEDBVGEXHHSJD-SFHVURJKSA-N 1 3 361.534 2.671 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)[C@@H]2C1 ZINC000272454179 252042101 /nfs/dbraw/zinc/04/21/01/252042101.db2.gz NAZNAMOXWYCWSN-BRWVUGGUSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)[C@@H]2C1 ZINC000272454179 252042105 /nfs/dbraw/zinc/04/21/05/252042105.db2.gz NAZNAMOXWYCWSN-BRWVUGGUSA-N 1 3 362.543 2.621 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000273001747 252186844 /nfs/dbraw/zinc/18/68/44/252186844.db2.gz RISWSBWXQDCGLD-NQIIRXRSSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000273001747 252186848 /nfs/dbraw/zinc/18/68/48/252186848.db2.gz RISWSBWXQDCGLD-NQIIRXRSSA-N 1 3 370.541 2.943 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccco1 ZINC000286792018 257055370 /nfs/dbraw/zinc/05/53/70/257055370.db2.gz RYSDQNSLNUOVAQ-IAGOWNOFSA-N 1 3 350.507 2.616 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287169345 257075457 /nfs/dbraw/zinc/07/54/57/257075457.db2.gz SPCMJDRYKJWQLF-GOSISDBHSA-N 1 3 364.534 2.721 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287169345 257075458 /nfs/dbraw/zinc/07/54/58/257075458.db2.gz SPCMJDRYKJWQLF-GOSISDBHSA-N 1 3 364.534 2.721 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CCN1Cc1ccccc1 ZINC000288213197 257161422 /nfs/dbraw/zinc/16/14/22/257161422.db2.gz SGVCETRTFKKDBG-UMGGQSCQSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CCN1Cc1ccccc1 ZINC000288213197 257161424 /nfs/dbraw/zinc/16/14/24/257161424.db2.gz SGVCETRTFKKDBG-UMGGQSCQSA-N 1 3 358.530 2.631 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000290158169 257318021 /nfs/dbraw/zinc/31/80/21/257318021.db2.gz NSGYEAYNXHSWTJ-UXHICEINSA-N 1 3 356.514 2.545 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290611056 257346029 /nfs/dbraw/zinc/34/60/29/257346029.db2.gz WOTODWXCTWJHTO-WFASDCNBSA-N 1 3 351.292 2.869 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290611056 257346030 /nfs/dbraw/zinc/34/60/30/257346030.db2.gz WOTODWXCTWJHTO-WFASDCNBSA-N 1 3 351.292 2.869 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000331377957 258183809 /nfs/dbraw/zinc/18/38/09/258183809.db2.gz FMJXFTICVGCBEN-VWKPWSFCSA-N 1 3 359.514 2.518 20 0 FFADHO CC(=O)N1CC[C@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2C1 ZINC000366790136 512187963 /nfs/dbraw/zinc/18/79/63/512187963.db2.gz KBQDEXPIZVHUPO-UWJYYQICSA-N 1 3 359.514 2.570 20 0 FFADHO CC(=O)N1CC[C@H](NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2C1 ZINC000366790136 512187968 /nfs/dbraw/zinc/18/79/68/512187968.db2.gz KBQDEXPIZVHUPO-UWJYYQICSA-N 1 3 359.514 2.570 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000377351266 512227773 /nfs/dbraw/zinc/22/77/73/512227773.db2.gz XENPNCAOSQFVFW-HXUWFJFHSA-N 1 3 373.541 2.516 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000410309898 512236855 /nfs/dbraw/zinc/23/68/55/512236855.db2.gz DYJNUQQUAQIDLG-NHCUHLMSSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000410309898 512236857 /nfs/dbraw/zinc/23/68/57/512236857.db2.gz DYJNUQQUAQIDLG-NHCUHLMSSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000066191614 506443278 /nfs/dbraw/zinc/44/32/78/506443278.db2.gz ORQDENYXNIPGNX-HXUWFJFHSA-N 1 3 362.562 2.911 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000066191843 506443444 /nfs/dbraw/zinc/44/34/44/506443444.db2.gz GHCFUPIRSGJUNY-INIZCTEOSA-N 1 3 366.575 2.990 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000066191843 506443449 /nfs/dbraw/zinc/44/34/49/506443449.db2.gz GHCFUPIRSGJUNY-INIZCTEOSA-N 1 3 366.575 2.990 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000054511723 506569731 /nfs/dbraw/zinc/56/97/31/506569731.db2.gz HMRKSCUOCNKFRA-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000054511723 506569736 /nfs/dbraw/zinc/56/97/36/506569736.db2.gz HMRKSCUOCNKFRA-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043238489 506718983 /nfs/dbraw/zinc/71/89/83/506718983.db2.gz YGASDHQYXAKGOC-FQEVSTJZSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000067685534 506977034 /nfs/dbraw/zinc/97/70/34/506977034.db2.gz FXXXXIZFPCNREZ-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000067685534 506977040 /nfs/dbraw/zinc/97/70/40/506977040.db2.gz FXXXXIZFPCNREZ-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067734659 506992825 /nfs/dbraw/zinc/99/28/25/506992825.db2.gz OFIXLOLCTWDJGW-HXUWFJFHSA-N 1 3 360.546 2.930 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000377553505 512324238 /nfs/dbraw/zinc/32/42/38/512324238.db2.gz IBOKAHSDSGKZRW-MISYRCLQSA-N 1 3 359.514 2.849 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2CCN(C)CC2)cc1 ZINC000047885491 507407525 /nfs/dbraw/zinc/40/75/25/507407525.db2.gz GSSWRXZHIMRHAX-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCN(C)CC2)cc1 ZINC000047885491 507407535 /nfs/dbraw/zinc/40/75/35/507407535.db2.gz GSSWRXZHIMRHAX-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)CC1 ZINC000051243531 507754079 /nfs/dbraw/zinc/75/40/79/507754079.db2.gz FQSGASMUGQEJMI-NRFANRHFSA-N 1 3 370.541 2.996 20 0 FFADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCc2ccccc21 ZINC000051758897 507783625 /nfs/dbraw/zinc/78/36/25/507783625.db2.gz BGSPMXGQIBUMNU-OAQYLSRUSA-N 1 3 370.541 2.874 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]3c3ccccc3)CC2)CC1 ZINC000051760227 507783671 /nfs/dbraw/zinc/78/36/71/507783671.db2.gz QINOCCOUDYQZOS-HXUWFJFHSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000107696659 507863395 /nfs/dbraw/zinc/86/33/95/507863395.db2.gz CPPXKZSPLJKCBK-QZTJIDSGSA-N 1 3 352.567 2.918 20 0 FFADHO CC1CC[NH+](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000078559846 507883551 /nfs/dbraw/zinc/88/35/51/507883551.db2.gz JLSZVSZSPSXOFI-QGZVFWFLSA-N 1 3 364.559 2.916 20 0 FFADHO Cc1nc2c(s1)[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000090038638 507903693 /nfs/dbraw/zinc/90/36/93/507903693.db2.gz GDCWFEFVOVOEFD-QGZVFWFLSA-N 1 3 372.538 2.910 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000108567988 507905209 /nfs/dbraw/zinc/90/52/09/507905209.db2.gz SRXVAKFVWKMMSB-AZUAARDMSA-N 1 3 358.530 2.773 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000108567988 507905211 /nfs/dbraw/zinc/90/52/11/507905211.db2.gz SRXVAKFVWKMMSB-AZUAARDMSA-N 1 3 358.530 2.773 20 0 FFADHO CN(C)Cc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000090148043 507911321 /nfs/dbraw/zinc/91/13/21/507911321.db2.gz FKMFKLBAMLOASL-UHFFFAOYSA-N 1 3 352.482 2.790 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000073494151 507925024 /nfs/dbraw/zinc/92/50/24/507925024.db2.gz VGGMELUDKYVNDS-HSALFYBXSA-N 1 3 358.530 2.730 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000073494151 507925027 /nfs/dbraw/zinc/92/50/27/507925027.db2.gz VGGMELUDKYVNDS-HSALFYBXSA-N 1 3 358.530 2.730 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000073662290 507943518 /nfs/dbraw/zinc/94/35/18/507943518.db2.gz DNDRVLRFVNVCHL-NRFANRHFSA-N 1 3 372.557 2.951 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000073662290 507943521 /nfs/dbraw/zinc/94/35/21/507943521.db2.gz DNDRVLRFVNVCHL-NRFANRHFSA-N 1 3 372.557 2.951 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000091232638 507972176 /nfs/dbraw/zinc/97/21/76/507972176.db2.gz MHNBPLMRXOALOR-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000074494499 508027696 /nfs/dbraw/zinc/02/76/96/508027696.db2.gz IQUJSUXALQNWGL-JZXOWHBKSA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000074494499 508027701 /nfs/dbraw/zinc/02/77/01/508027701.db2.gz IQUJSUXALQNWGL-JZXOWHBKSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000080117103 508040210 /nfs/dbraw/zinc/04/02/10/508040210.db2.gz FHLYTKIZKFULQQ-ZHALLVOQSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000080117103 508040213 /nfs/dbraw/zinc/04/02/13/508040213.db2.gz FHLYTKIZKFULQQ-ZHALLVOQSA-N 1 3 358.530 2.821 20 0 FFADHO C[NH+](C)CCC1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000092381284 508066382 /nfs/dbraw/zinc/06/63/82/508066382.db2.gz YBYKUOOKUPDMPC-UHFFFAOYSA-N 1 3 373.541 2.852 20 0 FFADHO COc1ccc2cc(C[NH+]3CCC(C(=O)NCCN(C)C)CC3)ccc2c1 ZINC000092615586 508087536 /nfs/dbraw/zinc/08/75/36/508087536.db2.gz GTNAUIMYARHOOQ-UHFFFAOYSA-N 1 3 369.509 2.738 20 0 FFADHO c1ccc(N2CCOCC2)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735151 508153970 /nfs/dbraw/zinc/15/39/70/508153970.db2.gz ZWVZZLMADUYXPZ-UHFFFAOYSA-N 1 3 373.541 2.600 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)N(C)C ZINC000113235416 508253856 /nfs/dbraw/zinc/25/38/56/508253856.db2.gz OXFAMVGTXHGJSH-MJGOQNOKSA-N 1 3 361.530 2.589 20 0 FFADHO C[C@H]1CCCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101999556 508263623 /nfs/dbraw/zinc/26/36/23/508263623.db2.gz JUVKUPCCXHQDMC-DLBZAZTESA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H](CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000113616167 508277088 /nfs/dbraw/zinc/27/70/88/508277088.db2.gz ZVBSPRCWAROYEV-KRWDZBQOSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000113616167 508277090 /nfs/dbraw/zinc/27/70/90/508277090.db2.gz ZVBSPRCWAROYEV-KRWDZBQOSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CC2CCN(C)CC2)C1 ZINC000103512395 508316677 /nfs/dbraw/zinc/31/66/77/508316677.db2.gz MQRMJTHLXNIBJE-ROUUACIJSA-N 1 3 352.567 2.728 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114811721 508349760 /nfs/dbraw/zinc/34/97/60/508349760.db2.gz KIKKTFVCJPJZRW-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114811721 508349763 /nfs/dbraw/zinc/34/97/63/508349763.db2.gz KIKKTFVCJPJZRW-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000077804637 508376750 /nfs/dbraw/zinc/37/67/50/508376750.db2.gz ARXGOXWKWSZIKI-SFHVURJKSA-N 1 3 358.530 2.608 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCNC(=O)C2CCC2)CC1 ZINC000088739797 508381618 /nfs/dbraw/zinc/38/16/18/508381618.db2.gz RUXSEAFXUUQBCP-UHFFFAOYSA-N 1 3 372.557 2.615 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000088715344 508381873 /nfs/dbraw/zinc/38/18/73/508381873.db2.gz YSPWVXQWFXAPTL-QFIPXVFZSA-N 1 3 367.537 2.912 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000133785626 508448982 /nfs/dbraw/zinc/44/89/82/508448982.db2.gz RCDXBJGQZIBABZ-IAGOWNOFSA-N 1 3 361.534 2.637 20 0 FFADHO CCOCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000122129496 508485901 /nfs/dbraw/zinc/48/59/01/508485901.db2.gz NBDROZVUKJGBTN-UHFFFAOYSA-N 1 3 374.529 2.903 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000127788305 508499839 /nfs/dbraw/zinc/49/98/39/508499839.db2.gz UARIBBWAFSRONA-IHPCNDPISA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000127788305 508499842 /nfs/dbraw/zinc/49/98/42/508499842.db2.gz UARIBBWAFSRONA-IHPCNDPISA-N 1 3 370.541 2.775 20 0 FFADHO COc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000122215873 508500540 /nfs/dbraw/zinc/50/05/40/508500540.db2.gz ILHRITAIYUELRQ-UHFFFAOYSA-N 1 3 365.905 2.637 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000157231269 508539853 /nfs/dbraw/zinc/53/98/53/508539853.db2.gz NZDYVIPDFSSRSU-RDJZCZTQSA-N 1 3 357.420 2.541 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000122591212 508559110 /nfs/dbraw/zinc/55/91/10/508559110.db2.gz TYUGQJUPTQFHJU-UHFFFAOYSA-N 1 3 366.509 2.947 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000128271117 508571354 /nfs/dbraw/zinc/57/13/54/508571354.db2.gz JLXKOZRXRJVOHI-KRWDZBQOSA-N 1 3 373.545 2.649 20 0 FFADHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000122721183 508577427 /nfs/dbraw/zinc/57/74/27/508577427.db2.gz CQVMZYQQKPWMFZ-OAHLLOKOSA-N 1 3 368.543 2.871 20 0 FFADHO CN1CCC[C@H]2C[N@H+](CCCCCn3nnc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158488415 508711222 /nfs/dbraw/zinc/71/12/22/508711222.db2.gz FVJOZYRUXVDVJN-PMACEKPBSA-N 1 3 368.529 2.927 20 0 FFADHO CN1CCC[C@H]2C[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158488415 508711224 /nfs/dbraw/zinc/71/12/24/508711224.db2.gz FVJOZYRUXVDVJN-PMACEKPBSA-N 1 3 368.529 2.927 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154081294 508713062 /nfs/dbraw/zinc/71/30/62/508713062.db2.gz UWZYXMDWDJNKOO-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000119085153 508722687 /nfs/dbraw/zinc/72/26/87/508722687.db2.gz WPMCUTVBZKUYDV-PXNSSMCTSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000119095990 508724929 /nfs/dbraw/zinc/72/49/29/508724929.db2.gz GYKQAWZRLWSCNK-NQIIRXRSSA-N 1 3 372.557 2.927 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000154235863 508742694 /nfs/dbraw/zinc/74/26/94/508742694.db2.gz HAEFLFASNMVBOC-QGZVFWFLSA-N 1 3 373.545 2.649 20 0 FFADHO CC[C@H](CN[C@H](C)CC(=O)Nc1cc(OC)ccc1OC)[NH+]1CCCC1 ZINC000119284955 508764755 /nfs/dbraw/zinc/76/47/55/508764755.db2.gz WRWQIYZRZJFJRF-HZPDHXFCSA-N 1 3 363.502 2.885 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000129790671 508766682 /nfs/dbraw/zinc/76/66/82/508766682.db2.gz FTCBGFOMOYNZCP-IAGOWNOFSA-N 1 3 364.559 2.553 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000158933013 508770183 /nfs/dbraw/zinc/77/01/83/508770183.db2.gz AAKZKZSKEMUFOM-UWJYYQICSA-N 1 3 356.514 2.924 20 0 FFADHO C[C@@H](O)[C@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000119428369 508794668 /nfs/dbraw/zinc/79/46/68/508794668.db2.gz JWZLWMZRCJMBJM-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000119428369 508794672 /nfs/dbraw/zinc/79/46/72/508794672.db2.gz JWZLWMZRCJMBJM-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000119428369 508794674 /nfs/dbraw/zinc/79/46/74/508794674.db2.gz JWZLWMZRCJMBJM-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000119428369 508794678 /nfs/dbraw/zinc/79/46/78/508794678.db2.gz JWZLWMZRCJMBJM-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000154558896 508809460 /nfs/dbraw/zinc/80/94/60/508809460.db2.gz ONPJNDLHIXIKKI-LPHOPBHVSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000119614880 508829492 /nfs/dbraw/zinc/82/94/92/508829492.db2.gz FEBSESNCPPOZDF-UNMCSNQZSA-N 1 3 368.525 2.697 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000119614880 508829495 /nfs/dbraw/zinc/82/94/95/508829495.db2.gz FEBSESNCPPOZDF-UNMCSNQZSA-N 1 3 368.525 2.697 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000119796075 508864507 /nfs/dbraw/zinc/86/45/07/508864507.db2.gz RTMULVGXUWPJFH-MNEFBYGVSA-N 1 3 351.922 2.643 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000119796075 508864511 /nfs/dbraw/zinc/86/45/11/508864511.db2.gz RTMULVGXUWPJFH-MNEFBYGVSA-N 1 3 351.922 2.643 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154871656 508873598 /nfs/dbraw/zinc/87/35/98/508873598.db2.gz IAUQZJZYEFHWMJ-SCTDSRPQSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154871656 508873601 /nfs/dbraw/zinc/87/36/01/508873601.db2.gz IAUQZJZYEFHWMJ-SCTDSRPQSA-N 1 3 365.562 2.503 20 0 FFADHO COc1ccc(CNC(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000124870840 508897865 /nfs/dbraw/zinc/89/78/65/508897865.db2.gz NYRDANHNVJSTFG-LJQANCHMSA-N 1 3 359.514 2.508 20 0 FFADHO CN(c1ccccc1CNCC[S@@](=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000150927568 508924005 /nfs/dbraw/zinc/92/40/05/508924005.db2.gz BPSLYKMVQIUYDC-VWLOTQADSA-N 1 3 365.587 2.854 20 0 FFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000150956568 508930337 /nfs/dbraw/zinc/93/03/37/508930337.db2.gz GMMYHLQFGMTRGZ-HNNXBMFYSA-N 1 3 358.530 2.593 20 0 FFADHO Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000155195706 508945733 /nfs/dbraw/zinc/94/57/33/508945733.db2.gz ZULQZVIIBIQQKO-MSOLQXFVSA-N 1 3 355.526 2.916 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000155258267 508959603 /nfs/dbraw/zinc/95/96/03/508959603.db2.gz RCAYADOPONORCK-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000125803033 509031912 /nfs/dbraw/zinc/03/19/12/509031912.db2.gz YPDSCCKUFNTDCX-HBFSDRIKSA-N 1 3 358.530 2.538 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C3CCN(C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000132866537 509084876 /nfs/dbraw/zinc/08/48/76/509084876.db2.gz DZTDZFZLJYLNNT-OAQYLSRUSA-N 1 3 371.569 2.784 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)cc1 ZINC000120933562 509091630 /nfs/dbraw/zinc/09/16/30/509091630.db2.gz LNKDHWPNLWHYBA-ROUUACIJSA-N 1 3 355.530 2.715 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000151907798 509108539 /nfs/dbraw/zinc/10/85/39/509108539.db2.gz BRHIFXUQQOFFCM-IRLDBZIGSA-N 1 3 358.574 2.514 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000121299394 509164590 /nfs/dbraw/zinc/16/45/90/509164590.db2.gz OPPXNULCYAIUFG-MOPGFXCFSA-N 1 3 355.530 2.797 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)C1 ZINC000182348312 509187586 /nfs/dbraw/zinc/18/75/86/509187586.db2.gz MYHSNZAEMMIJDH-QYZOEREBSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)C1 ZINC000182348312 509187609 /nfs/dbraw/zinc/18/76/09/509187609.db2.gz MYHSNZAEMMIJDH-QYZOEREBSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162277427 509188158 /nfs/dbraw/zinc/18/81/58/509188158.db2.gz SUGGPTGASGUCCZ-KRWDZBQOSA-N 1 3 359.514 2.871 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195606743 509211613 /nfs/dbraw/zinc/21/16/13/509211613.db2.gz LZACYIWGXMRQDL-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266852858 509226428 /nfs/dbraw/zinc/22/64/28/509226428.db2.gz JHIJGYRCNSFOEK-HNNXBMFYSA-N 1 3 365.543 2.604 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000176040076 509288768 /nfs/dbraw/zinc/28/87/68/509288768.db2.gz JYONSZQBPUIUMK-KURKYZTESA-N 1 3 373.541 2.521 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000248394292 509290151 /nfs/dbraw/zinc/29/01/51/509290151.db2.gz FOQBLYFBVIYCAY-XUVXKRRUSA-N 1 3 367.493 2.900 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000248394292 509290155 /nfs/dbraw/zinc/29/01/55/509290155.db2.gz FOQBLYFBVIYCAY-XUVXKRRUSA-N 1 3 367.493 2.900 20 0 FFADHO O=C(NCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000248394292 509290158 /nfs/dbraw/zinc/29/01/58/509290158.db2.gz FOQBLYFBVIYCAY-XUVXKRRUSA-N 1 3 367.493 2.900 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403715 509298225 /nfs/dbraw/zinc/29/82/25/509298225.db2.gz OZIRIVNADPSQDY-VUHPKUFZSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403715 509298235 /nfs/dbraw/zinc/29/82/35/509298235.db2.gz OZIRIVNADPSQDY-VUHPKUFZSA-N 1 3 350.551 2.764 20 0 FFADHO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000248405365 509300980 /nfs/dbraw/zinc/30/09/80/509300980.db2.gz RGAMPXFILOTVLH-MXEMCNAFSA-N 1 3 365.525 2.792 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000162792025 509302241 /nfs/dbraw/zinc/30/22/41/509302241.db2.gz UMRWVUZHPRVEML-AYBZRNKSSA-N 1 3 352.906 2.634 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000162792025 509302251 /nfs/dbraw/zinc/30/22/51/509302251.db2.gz UMRWVUZHPRVEML-AYBZRNKSSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000162792025 509302258 /nfs/dbraw/zinc/30/22/58/509302258.db2.gz UMRWVUZHPRVEML-AYBZRNKSSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000162792025 509302264 /nfs/dbraw/zinc/30/22/64/509302264.db2.gz UMRWVUZHPRVEML-AYBZRNKSSA-N 1 3 352.906 2.634 20 0 FFADHO C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000173045389 509367251 /nfs/dbraw/zinc/36/72/51/509367251.db2.gz BXLBMLBFHNYJCY-LJQANCHMSA-N 1 3 374.573 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000248573972 509372550 /nfs/dbraw/zinc/37/25/50/509372550.db2.gz UAORZEURKHIKID-OZOXKJRCSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000248573972 509372557 /nfs/dbraw/zinc/37/25/57/509372557.db2.gz UAORZEURKHIKID-OZOXKJRCSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000264237444 509402701 /nfs/dbraw/zinc/40/27/01/509402701.db2.gz UHEIKSLBYJXFOT-CQSZACIVSA-N 1 3 369.456 2.739 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264241151 509405311 /nfs/dbraw/zinc/40/53/11/509405311.db2.gz XBSKZQFSSFGOPR-NRFANRHFSA-N 1 3 372.557 2.677 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264241151 509405322 /nfs/dbraw/zinc/40/53/22/509405322.db2.gz XBSKZQFSSFGOPR-NRFANRHFSA-N 1 3 372.557 2.677 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267259097 509416032 /nfs/dbraw/zinc/41/60/32/509416032.db2.gz CLHVHSVVAUFRAS-FQEVSTJZSA-N 1 3 370.541 2.967 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840479 509453128 /nfs/dbraw/zinc/45/31/28/509453128.db2.gz QUWRBJQLZPDOKJ-QZTJIDSGSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840479 509453130 /nfs/dbraw/zinc/45/31/30/509453130.db2.gz QUWRBJQLZPDOKJ-QZTJIDSGSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)N1CCc2ccccc2C1 ZINC000236667102 509474761 /nfs/dbraw/zinc/47/47/61/509474761.db2.gz VVGHVMXUVPAFTI-UXHICEINSA-N 1 3 355.526 2.575 20 0 FFADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1c1ccccc1 ZINC000176381810 509477210 /nfs/dbraw/zinc/47/72/10/509477210.db2.gz YFMWNRYOXIFYGH-UWJYYQICSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1c1ccccc1 ZINC000176381793 509478035 /nfs/dbraw/zinc/47/80/35/509478035.db2.gz YFMWNRYOXIFYGH-UTKZUKDTSA-N 1 3 370.541 2.948 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248781126 509481763 /nfs/dbraw/zinc/48/17/63/509481763.db2.gz HZGCBUSCPBAGCE-HMXCVIKNSA-N 1 3 372.557 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248781126 509481766 /nfs/dbraw/zinc/48/17/66/509481766.db2.gz HZGCBUSCPBAGCE-HMXCVIKNSA-N 1 3 372.557 2.784 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248795703 509487256 /nfs/dbraw/zinc/48/72/56/509487256.db2.gz YWIUJHGQPFHUDL-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248795703 509487263 /nfs/dbraw/zinc/48/72/63/509487263.db2.gz YWIUJHGQPFHUDL-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000248939020 509548120 /nfs/dbraw/zinc/54/81/20/509548120.db2.gz YPDSCCKUFNTDCX-WSTZPKSXSA-N 1 3 358.530 2.538 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCN(C2CC2)CC1 ZINC000192637903 509577169 /nfs/dbraw/zinc/57/71/69/509577169.db2.gz VDHRWORLPHUFTE-LJQANCHMSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CCN(C2CC2)CC1 ZINC000192637903 509577173 /nfs/dbraw/zinc/57/71/73/509577173.db2.gz VDHRWORLPHUFTE-LJQANCHMSA-N 1 3 355.526 2.841 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)c3ccc(C[NH3+])cc3)CC2)cc1 ZINC000237288363 509614173 /nfs/dbraw/zinc/61/41/73/509614173.db2.gz LCHXEQVNPPNSRT-UHFFFAOYSA-N 1 3 367.493 2.796 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)C[C@H](C)O1 ZINC000189519314 509617026 /nfs/dbraw/zinc/61/70/26/509617026.db2.gz OPYIBGUEXUFPBR-IJEWVQPXSA-N 1 3 352.441 2.511 20 0 FFADHO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000173475140 509624043 /nfs/dbraw/zinc/62/40/43/509624043.db2.gz MWFHJQZDYWMZTN-IAGOWNOFSA-N 1 3 362.518 2.882 20 0 FFADHO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000173475140 509624046 /nfs/dbraw/zinc/62/40/46/509624046.db2.gz MWFHJQZDYWMZTN-IAGOWNOFSA-N 1 3 362.518 2.882 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000192787995 509644596 /nfs/dbraw/zinc/64/45/96/509644596.db2.gz UCZSAPCSGREPLF-IBGZPJMESA-N 1 3 355.530 2.939 20 0 FFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000183195862 509651702 /nfs/dbraw/zinc/65/17/02/509651702.db2.gz WYCAUOZIFQFOMR-XLIONFOSSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2c(s1)CCCC2 ZINC000168914925 509652381 /nfs/dbraw/zinc/65/23/81/509652381.db2.gz WBGJRCXWPDIHPF-QGZVFWFLSA-N 1 3 365.587 2.668 20 0 FFADHO CSc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1F ZINC000168912364 509653356 /nfs/dbraw/zinc/65/33/56/509653356.db2.gz CGAZIWVOTLLTBF-MRXNPFEDSA-N 1 3 369.550 2.588 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000237479588 509658040 /nfs/dbraw/zinc/65/80/40/509658040.db2.gz ONOXOOCTXZGCLJ-HOJAQTOUSA-N 1 3 355.526 2.888 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)[C@@H](C)C1 ZINC000249403752 509672863 /nfs/dbraw/zinc/67/28/63/509672863.db2.gz CRQNKYBSVFVMFL-DHRHBVOQSA-N 1 3 367.578 2.796 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189710922 509713814 /nfs/dbraw/zinc/71/38/14/509713814.db2.gz POEWENMAOJISCO-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000250067186 509785410 /nfs/dbraw/zinc/78/54/10/509785410.db2.gz NPCZKRKLNNTZGQ-QGPMSJSTSA-N 1 3 369.431 2.555 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cncc(Br)c2)C[C@@H](C)O1 ZINC000186609272 509800072 /nfs/dbraw/zinc/80/00/72/509800072.db2.gz FQTDZTJKYTUTFY-ZIAGYGMSSA-N 1 3 356.308 2.823 20 0 FFADHO [NH3+][C@H]1CCC[C@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000238040953 509806716 /nfs/dbraw/zinc/80/67/16/509806716.db2.gz YUCLXVKCQMCIHS-PMACEKPBSA-N 1 3 373.541 2.691 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@H](CN4CCCCC4)C3)c2cc1C ZINC000173878308 509831174 /nfs/dbraw/zinc/83/11/74/509831174.db2.gz JQOLXMIKPASFAC-UXHICEINSA-N 1 3 370.541 2.822 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@H](CN4CCCCC4)C3)c2cc1C ZINC000173878308 509831182 /nfs/dbraw/zinc/83/11/82/509831182.db2.gz JQOLXMIKPASFAC-UXHICEINSA-N 1 3 370.541 2.822 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000252190248 509833233 /nfs/dbraw/zinc/83/32/33/509833233.db2.gz RMWLEFQALTZVHH-GUDVDZBRSA-N 1 3 352.567 2.776 20 0 FFADHO CN(CCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000174128725 509961188 /nfs/dbraw/zinc/96/11/88/509961188.db2.gz KOQGLLNJKMNEPF-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174186153 509991435 /nfs/dbraw/zinc/99/14/35/509991435.db2.gz UQEAUQCEPPTDIJ-UHFFFAOYSA-N 1 3 374.529 2.857 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000174200979 509998456 /nfs/dbraw/zinc/99/84/56/509998456.db2.gz BTPRHFNZTBYFPD-HXUWFJFHSA-N 1 3 360.546 2.581 20 0 FFADHO CC[C@]1(C)CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000174467292 510128918 /nfs/dbraw/zinc/12/89/18/510128918.db2.gz VYNVUUIEXUDRKT-HXUWFJFHSA-N 1 3 350.551 2.767 20 0 FFADHO CN(c1ccccc1CNCc1ccc(C(N)=O)cc1)C1CC[NH+](C)CC1 ZINC000177557932 510133532 /nfs/dbraw/zinc/13/35/32/510133532.db2.gz KJRKZXIAYLOXDZ-UHFFFAOYSA-N 1 3 366.509 2.606 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000268940773 510150840 /nfs/dbraw/zinc/15/08/40/510150840.db2.gz AEACAVZMSWLBQW-OAHLLOKOSA-N 1 3 369.303 2.709 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CN1C1CC1 ZINC000177605776 510156411 /nfs/dbraw/zinc/15/64/11/510156411.db2.gz RHCUWBBCLKXCAI-APWZRJJASA-N 1 3 356.514 2.707 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262137820 510188851 /nfs/dbraw/zinc/18/88/51/510188851.db2.gz YUXYNXHUESMEBS-OALUTQOASA-N 1 3 361.555 2.951 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCC[C@@H](C)C1 ZINC000245915374 510203265 /nfs/dbraw/zinc/20/32/65/510203265.db2.gz KORZGDAPTTZZFA-GUDVDZBRSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000245917408 510205693 /nfs/dbraw/zinc/20/56/93/510205693.db2.gz NHKWMDYGODJNRW-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245928957 510213216 /nfs/dbraw/zinc/21/32/16/510213216.db2.gz IOBKGZGMDMRUCG-ZWKOTPCHSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000245928957 510213221 /nfs/dbraw/zinc/21/32/21/510213221.db2.gz IOBKGZGMDMRUCG-ZWKOTPCHSA-N 1 3 373.545 2.781 20 0 FFADHO Cc1nc(C)c([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000180997100 510228373 /nfs/dbraw/zinc/22/83/73/510228373.db2.gz MHJMCWXXCMYNCV-ZDUSSCGKSA-N 1 3 360.527 2.902 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000171571386 510230358 /nfs/dbraw/zinc/23/03/58/510230358.db2.gz WOPDNSBJEKDRNR-UZLBHIALSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000171571386 510230366 /nfs/dbraw/zinc/23/03/66/510230366.db2.gz WOPDNSBJEKDRNR-UZLBHIALSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)N(C)Cc1ccccc1 ZINC000246067268 510273416 /nfs/dbraw/zinc/27/34/16/510273416.db2.gz ZQAMCYAHCAQVFB-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)N(C)Cc1ccccc1 ZINC000246067268 510273422 /nfs/dbraw/zinc/27/34/22/510273422.db2.gz ZQAMCYAHCAQVFB-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO COc1cccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)n1 ZINC000190792747 510345834 /nfs/dbraw/zinc/34/58/34/510345834.db2.gz LDWPWNQBLMKBBQ-UHFFFAOYSA-N 1 3 354.498 2.782 20 0 FFADHO C[C@@H]1C[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000181381865 510382904 /nfs/dbraw/zinc/38/29/04/510382904.db2.gz YQLIPEWINMKWAU-AEFFLSMTSA-N 1 3 350.938 2.534 20 0 FFADHO C[C@@H]1C[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000181381865 510382910 /nfs/dbraw/zinc/38/29/10/510382910.db2.gz YQLIPEWINMKWAU-AEFFLSMTSA-N 1 3 350.938 2.534 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266056179 510384767 /nfs/dbraw/zinc/38/47/67/510384767.db2.gz UZAPPTJAQUQXIK-HXUWFJFHSA-N 1 3 355.526 2.843 20 0 FFADHO CN1C[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]2C1 ZINC000194535892 510412681 /nfs/dbraw/zinc/41/26/81/510412681.db2.gz KUVNOSOXVJGOHI-KDURUIRLSA-N 1 3 359.477 2.928 20 0 FFADHO CN1C[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]2C1 ZINC000194535892 510412688 /nfs/dbraw/zinc/41/26/88/510412688.db2.gz KUVNOSOXVJGOHI-KDURUIRLSA-N 1 3 359.477 2.928 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262793348 510413918 /nfs/dbraw/zinc/41/39/18/510413918.db2.gz NEQMDLKTEBFESW-UWWQBHOKSA-N 1 3 369.431 2.555 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000174975084 510415520 /nfs/dbraw/zinc/41/55/20/510415520.db2.gz DOHLYUPEZJPJFW-SEJPIABJSA-N 1 3 370.541 2.749 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000174975084 510415527 /nfs/dbraw/zinc/41/55/27/510415527.db2.gz DOHLYUPEZJPJFW-SEJPIABJSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187817300 510452957 /nfs/dbraw/zinc/45/29/57/510452957.db2.gz IJRSZTBTOFBHRY-UXHICEINSA-N 1 3 360.546 2.736 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000246378034 510456100 /nfs/dbraw/zinc/45/61/00/510456100.db2.gz RJCFRQWWIYPIER-CEXWTWQISA-N 1 3 352.567 2.725 20 0 FFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000178211484 510490791 /nfs/dbraw/zinc/49/07/91/510490791.db2.gz RNAJRVKXALLRHR-LJQANCHMSA-N 1 3 369.557 2.977 20 0 FFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000269670051 510505175 /nfs/dbraw/zinc/50/51/75/510505175.db2.gz ANMWHSMBKIKGKJ-SQNIBIBYSA-N 1 3 369.509 2.915 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246475593 510509373 /nfs/dbraw/zinc/50/93/73/510509373.db2.gz HCAFQMMWHLFIQT-PMXSJFBMSA-N 1 3 370.541 2.918 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246475593 510509379 /nfs/dbraw/zinc/50/93/79/510509379.db2.gz HCAFQMMWHLFIQT-PMXSJFBMSA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@H]1CCCC[C@H]1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184886070 510565224 /nfs/dbraw/zinc/56/52/24/510565224.db2.gz PSXOGZSVZYYOGV-FXAWDEMLSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000246581725 510569687 /nfs/dbraw/zinc/56/96/87/510569687.db2.gz OSGOKGWKUKCINK-MBOZVWFJSA-N 1 3 362.562 2.908 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1(C)C ZINC000188061857 510573176 /nfs/dbraw/zinc/57/31/76/510573176.db2.gz XGPQPSZAVCVWMN-WIYYLYMNSA-N 1 3 361.530 2.676 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1(C)C ZINC000188061857 510573181 /nfs/dbraw/zinc/57/31/81/510573181.db2.gz XGPQPSZAVCVWMN-WIYYLYMNSA-N 1 3 361.530 2.676 20 0 FFADHO CC1CCN(CCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000175474826 510660258 /nfs/dbraw/zinc/66/02/58/510660258.db2.gz WBGQBXDJNMKOMA-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO CC1CCN(CCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000175474826 510660267 /nfs/dbraw/zinc/66/02/67/510660267.db2.gz WBGQBXDJNMKOMA-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(OCCN(C)C)c1 ZINC000181966195 510682478 /nfs/dbraw/zinc/68/24/78/510682478.db2.gz UWAUECRLWBRAPG-GOSISDBHSA-N 1 3 374.529 2.885 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C12CCCC2 ZINC000181975558 510685925 /nfs/dbraw/zinc/68/59/25/510685925.db2.gz UTDVCMLNOCYHKN-VQTJNVASSA-N 1 3 373.541 2.805 20 0 FFADHO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000178698684 510726484 /nfs/dbraw/zinc/72/64/84/510726484.db2.gz HKMQBPPNFDKOQU-SFHVURJKSA-N 1 3 355.530 2.982 20 0 FFADHO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(CCN(C)C)CC2)cc1F ZINC000185272041 510783304 /nfs/dbraw/zinc/78/33/04/510783304.db2.gz BVTNEIXJGQQHIR-MRXNPFEDSA-N 1 3 351.510 2.629 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247007913 510797456 /nfs/dbraw/zinc/79/74/56/510797456.db2.gz XEHIBGBQSTXULB-DJPFJPOOSA-N 1 3 369.509 2.856 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247007913 510797462 /nfs/dbraw/zinc/79/74/62/510797462.db2.gz XEHIBGBQSTXULB-DJPFJPOOSA-N 1 3 369.509 2.856 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247050850 510816810 /nfs/dbraw/zinc/81/68/10/510816810.db2.gz ZIHXMQIKPOGJIK-PBEJRMEISA-N 1 3 362.489 2.652 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247050850 510816818 /nfs/dbraw/zinc/81/68/18/510816818.db2.gz ZIHXMQIKPOGJIK-PBEJRMEISA-N 1 3 362.489 2.652 20 0 FFADHO CCCN1CCC(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185351263 510818611 /nfs/dbraw/zinc/81/86/11/510818611.db2.gz VNQIATCMKFQMDU-KRWDZBQOSA-N 1 3 352.544 2.869 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000175846138 510821159 /nfs/dbraw/zinc/82/11/59/510821159.db2.gz RSMPPRNINGVAAD-LJQANCHMSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000175846138 510821165 /nfs/dbraw/zinc/82/11/65/510821165.db2.gz RSMPPRNINGVAAD-LJQANCHMSA-N 1 3 370.541 2.777 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263813926 510848271 /nfs/dbraw/zinc/84/82/71/510848271.db2.gz NVVWHAKBZCWNDR-NRFANRHFSA-N 1 3 355.526 2.985 20 0 FFADHO CN1CCCN(CCC[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000182327771 510850922 /nfs/dbraw/zinc/85/09/22/510850922.db2.gz WTJRBCADBRWDFW-LEWJYISDSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@@H](CNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)N(C)C1CC1 ZINC000247347116 510858010 /nfs/dbraw/zinc/85/80/10/510858010.db2.gz JSSXENHHPAGMLS-KURKYZTESA-N 1 3 372.557 2.925 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000285423867 510900822 /nfs/dbraw/zinc/90/08/22/510900822.db2.gz YIHNJOSZNUBBKV-RBUKOAKNSA-N 1 3 352.544 2.972 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000285423867 510900828 /nfs/dbraw/zinc/90/08/28/510900828.db2.gz YIHNJOSZNUBBKV-RBUKOAKNSA-N 1 3 352.544 2.972 20 0 FFADHO C[C@@H](c1cccnc1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000270700855 510954813 /nfs/dbraw/zinc/95/48/13/510954813.db2.gz BUABQQGYGDNDIU-SFHVURJKSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000360899962 510963184 /nfs/dbraw/zinc/96/31/84/510963184.db2.gz DALXUAPHIIMWDF-WWMYMODYSA-N 1 3 370.541 2.994 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282402243 510963379 /nfs/dbraw/zinc/96/33/79/510963379.db2.gz RTCHCVFHOMGZLH-KRWDZBQOSA-N 1 3 355.530 2.857 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000297547633 510987096 /nfs/dbraw/zinc/98/70/96/510987096.db2.gz PCSKIOYTKOJOKM-IHWFROFDSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000297547633 510987104 /nfs/dbraw/zinc/98/71/04/510987104.db2.gz PCSKIOYTKOJOKM-IHWFROFDSA-N 1 3 358.530 2.693 20 0 FFADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@H]1SC ZINC000297683867 511032823 /nfs/dbraw/zinc/03/28/23/511032823.db2.gz PIJVTDLPXQFZLU-IYWMVGAKSA-N 1 3 364.555 2.642 20 0 FFADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[C@H]1SC ZINC000297683867 511032826 /nfs/dbraw/zinc/03/28/26/511032826.db2.gz PIJVTDLPXQFZLU-IYWMVGAKSA-N 1 3 364.555 2.642 20 0 FFADHO COc1cc(OC)cc(OCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297803848 511073791 /nfs/dbraw/zinc/07/37/91/511073791.db2.gz XQBMEEONYZYTDZ-UHFFFAOYSA-N 1 3 357.454 2.736 20 0 FFADHO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000364948865 511171742 /nfs/dbraw/zinc/17/17/42/511171742.db2.gz ZIETTYCSRDZXFG-FQEVSTJZSA-N 1 3 363.521 2.517 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000364980231 511188659 /nfs/dbraw/zinc/18/86/59/511188659.db2.gz ZMBHPTBLRUOUCF-CKEIUWERSA-N 1 3 371.403 2.635 20 0 FFADHO C[C@H](O)[C@@H]1CCN(Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000294888617 511210588 /nfs/dbraw/zinc/21/05/88/511210588.db2.gz CUOKATAQYADMNH-ILRDRHFLSA-N 1 3 366.933 2.745 20 0 FFADHO C[C@H](O)[C@@H]1CCN(Cc2cc(Cl)cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000294888617 511210591 /nfs/dbraw/zinc/21/05/91/511210591.db2.gz CUOKATAQYADMNH-ILRDRHFLSA-N 1 3 366.933 2.745 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000298267565 511230759 /nfs/dbraw/zinc/23/07/59/511230759.db2.gz GEXIKMWTEGLKEK-SFHVURJKSA-N 1 3 360.502 2.943 20 0 FFADHO C[N@H+]1CC=C(CNCc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000271820920 511336421 /nfs/dbraw/zinc/33/64/21/511336421.db2.gz CTABWFKTDJKHPT-UHFFFAOYSA-N 1 3 367.287 2.962 20 0 FFADHO C[N@@H+]1CC=C(CNCc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000271820920 511336425 /nfs/dbraw/zinc/33/64/25/511336425.db2.gz CTABWFKTDJKHPT-UHFFFAOYSA-N 1 3 367.287 2.962 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000298623325 511352152 /nfs/dbraw/zinc/35/21/52/511352152.db2.gz VCQRSYDLUZBUGC-PMACEKPBSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000298623325 511352159 /nfs/dbraw/zinc/35/21/59/511352159.db2.gz VCQRSYDLUZBUGC-PMACEKPBSA-N 1 3 356.514 2.577 20 0 FFADHO COc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc(OC)c1O ZINC000298679148 511372295 /nfs/dbraw/zinc/37/22/95/511372295.db2.gz FFTRPSVKNAWQRQ-UHFFFAOYSA-N 1 3 360.454 2.640 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000283563534 511415802 /nfs/dbraw/zinc/41/58/02/511415802.db2.gz IMJVCSSOMLLFBO-KDOFPFPSSA-N 1 3 364.921 2.892 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000283563534 511415807 /nfs/dbraw/zinc/41/58/07/511415807.db2.gz IMJVCSSOMLLFBO-KDOFPFPSSA-N 1 3 364.921 2.892 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)CC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000292151869 511484996 /nfs/dbraw/zinc/48/49/96/511484996.db2.gz UJTIERLVUKOQOW-IBGZPJMESA-N 1 3 359.514 2.556 20 0 FFADHO C[C@@H](NCc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1F)[C@@H]1CCOC1 ZINC000295786027 511514313 /nfs/dbraw/zinc/51/43/13/511514313.db2.gz RCAQHDGUOVJIKA-BURFUSLBSA-N 1 3 350.478 2.855 20 0 FFADHO Cc1ccccc1-n1nccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000280800740 511606361 /nfs/dbraw/zinc/60/63/61/511606361.db2.gz HHBPBIOCALCMKO-UHFFFAOYSA-N 1 3 367.541 2.829 20 0 FFADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000284166809 511628923 /nfs/dbraw/zinc/62/89/23/511628923.db2.gz QDVGOCSPWXWULT-MOPGFXCFSA-N 1 3 352.544 2.974 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000284213560 511643511 /nfs/dbraw/zinc/64/35/11/511643511.db2.gz GYHLDRXJKKYWQW-JRSUCEMESA-N 1 3 360.542 2.930 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000284213560 511643516 /nfs/dbraw/zinc/64/35/16/511643516.db2.gz GYHLDRXJKKYWQW-JRSUCEMESA-N 1 3 360.542 2.930 20 0 FFADHO O=C(OCc1ccccc1)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)[nH]1 ZINC000296444004 511744834 /nfs/dbraw/zinc/74/48/34/511744834.db2.gz NWQYTVPEOQKJRF-QGZVFWFLSA-N 1 3 353.466 2.946 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000274212307 511756050 /nfs/dbraw/zinc/75/60/50/511756050.db2.gz NXJBJRZNAFJIEB-OPYAIIAOSA-N 1 3 372.557 2.879 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363922360 511851639 /nfs/dbraw/zinc/85/16/39/511851639.db2.gz OJPACAMEFPSNRH-HRCADAONSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363922360 511851645 /nfs/dbraw/zinc/85/16/45/511851645.db2.gz OJPACAMEFPSNRH-HRCADAONSA-N 1 3 361.486 2.637 20 0 FFADHO CN1CCN(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1(C)C ZINC000293238560 511892686 /nfs/dbraw/zinc/89/26/86/511892686.db2.gz BEJJDMCQFRUDGI-YLJYHZDGSA-N 1 3 363.521 2.909 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000275150431 512057557 /nfs/dbraw/zinc/05/75/57/512057557.db2.gz RWAHFNRWJQEBNU-PXNSSMCTSA-N 1 3 355.526 2.888 20 0 FFADHO CN1CCN(CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1(C)C ZINC000282109073 512078082 /nfs/dbraw/zinc/07/80/82/512078082.db2.gz ADGCNANFYZRJAX-UHFFFAOYSA-N 1 3 366.500 2.549 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000367364369 512463057 /nfs/dbraw/zinc/46/30/57/512463057.db2.gz CYZFKTACAAHRBH-SFHVURJKSA-N 1 3 359.489 2.640 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cn1 ZINC000375719750 512471615 /nfs/dbraw/zinc/47/16/15/512471615.db2.gz OUGVSWCPAYOLHI-BURNTYAHSA-N 1 3 365.525 2.784 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cn1 ZINC000375719750 512471618 /nfs/dbraw/zinc/47/16/18/512471618.db2.gz OUGVSWCPAYOLHI-BURNTYAHSA-N 1 3 365.525 2.784 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369582234 512492854 /nfs/dbraw/zinc/49/28/54/512492854.db2.gz MWCAKYLXNYEIIG-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369582234 512492858 /nfs/dbraw/zinc/49/28/58/512492858.db2.gz MWCAKYLXNYEIIG-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000411191772 512513345 /nfs/dbraw/zinc/51/33/45/512513345.db2.gz WQVMZJFQMJWEBC-LJQANCHMSA-N 1 3 361.555 2.582 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCN1C1CCOCC1 ZINC000373875447 512548374 /nfs/dbraw/zinc/54/83/74/512548374.db2.gz BZHHZZCXUCYLPH-PMACEKPBSA-N 1 3 363.546 2.543 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCN1C1CCOCC1 ZINC000373875447 512548378 /nfs/dbraw/zinc/54/83/78/512548378.db2.gz BZHHZZCXUCYLPH-PMACEKPBSA-N 1 3 363.546 2.543 20 0 FFADHO Cc1cc(NC(=O)C(=O)Nc2ccc(CN(C)C)cc2)ccc1C[NH+](C)C ZINC000411391655 512613231 /nfs/dbraw/zinc/61/32/31/512613231.db2.gz SPECJJHXLYVFKF-UHFFFAOYSA-N 1 3 368.481 2.695 20 0 FFADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172663 512691085 /nfs/dbraw/zinc/69/10/85/512691085.db2.gz GEQLTSIFRDUXLK-SFHVURJKSA-N 1 3 355.526 2.768 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000369950331 512695971 /nfs/dbraw/zinc/69/59/71/512695971.db2.gz GZERXRGLKFYBJX-SFHVURJKSA-N 1 3 358.530 2.843 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000372066843 512701188 /nfs/dbraw/zinc/70/11/88/512701188.db2.gz QMNJOMYPMASKQD-MQSCRBSSSA-N 1 3 372.601 2.760 20 0 FFADHO C[C@H]1C[N@H+](CCSc2ccccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000374296810 512752019 /nfs/dbraw/zinc/75/20/19/512752019.db2.gz OWXAUSIITQBCDK-WMZOPIPTSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H]1C[N@@H+](CCSc2ccccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000374296810 512752020 /nfs/dbraw/zinc/75/20/20/512752020.db2.gz OWXAUSIITQBCDK-WMZOPIPTSA-N 1 3 351.535 2.876 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389835081 512901820 /nfs/dbraw/zinc/90/18/20/512901820.db2.gz DGUAHJMTVNTYCH-UTKZUKDTSA-N 1 3 351.494 2.699 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000390541856 512909492 /nfs/dbraw/zinc/90/94/92/512909492.db2.gz HLWVJRQZOGDJIY-GXRSIYKFSA-N 1 3 357.542 2.788 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C[C@@H]21 ZINC000374630973 512927449 /nfs/dbraw/zinc/92/74/49/512927449.db2.gz NVSPHJCRTBBWLG-LCLWPZTBSA-N 1 3 359.489 2.624 20 0 FFADHO COCCCn1nccc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000374707435 512964838 /nfs/dbraw/zinc/96/48/38/512964838.db2.gz NPDRHHDCZDSMTI-FQEVSTJZSA-N 1 3 356.514 2.921 20 0 FFADHO C[C@H]1COCCN1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376752390 512972756 /nfs/dbraw/zinc/97/27/56/512972756.db2.gz SJTWTKIRONJXTQ-FQEVSTJZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1COCCN1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376752390 512972761 /nfs/dbraw/zinc/97/27/61/512972761.db2.gz SJTWTKIRONJXTQ-FQEVSTJZSA-N 1 3 357.542 2.695 20 0 FFADHO C[NH+](C)[C@@]1(CNC(=O)c2cccc(CN3CCCCC3)c2)CCSC1 ZINC000412176747 512986919 /nfs/dbraw/zinc/98/69/19/512986919.db2.gz YUILZOJIBWVIES-HXUWFJFHSA-N 1 3 361.555 2.840 20 0 FFADHO COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1C ZINC000368586745 513012725 /nfs/dbraw/zinc/01/27/25/513012725.db2.gz YZCIFBKAPFYMIR-VQIMIIECSA-N 1 3 355.482 2.812 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370633134 513024200 /nfs/dbraw/zinc/02/42/00/513024200.db2.gz FSHXOLHESTYJJQ-YLJYHZDGSA-N 1 3 367.541 3.000 20 0 FFADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000370670966 513044153 /nfs/dbraw/zinc/04/41/53/513044153.db2.gz KBGULNHDONMDPT-BEFAXECRSA-N 1 3 354.498 2.934 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)N2CCCC2)cc1 ZINC000445847289 513127770 /nfs/dbraw/zinc/12/77/70/513127770.db2.gz QHUALCGLZJRAGL-LJQANCHMSA-N 1 3 358.530 2.915 20 0 FFADHO Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(OCCN(C)C)c1 ZINC000415208308 513152830 /nfs/dbraw/zinc/15/28/30/513152830.db2.gz VDAPWHOWJJCGLG-ULQDDVLXSA-N 1 3 360.502 2.527 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417676665 513154745 /nfs/dbraw/zinc/15/47/45/513154745.db2.gz DDTOZGFLYLGKGF-ILZDJORESA-N 1 3 372.557 2.838 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000412578343 513170790 /nfs/dbraw/zinc/17/07/90/513170790.db2.gz RCNYRBDAIGDVEN-AWEZNQCLSA-N 1 3 351.491 2.741 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417736596 513187337 /nfs/dbraw/zinc/18/73/37/513187337.db2.gz MYOGFZDYCIYVOY-HLLBOEOZSA-N 1 3 350.532 2.524 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417837706 513231060 /nfs/dbraw/zinc/23/10/60/513231060.db2.gz XPHZNKKIAIKAHH-AYWYSENESA-N 1 3 370.541 2.538 20 0 FFADHO CCCN1C[C@H](C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1=O ZINC000421349448 513231386 /nfs/dbraw/zinc/23/13/86/513231386.db2.gz JITHTIRGMIIIEN-SFHVURJKSA-N 1 3 372.557 2.565 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)c(OC)c3)CC2)CC1 ZINC000421366661 513238677 /nfs/dbraw/zinc/23/86/77/513238677.db2.gz DAAFTIROWMFSEY-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO Cc1cc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)n(C)n1 ZINC000417852829 513239088 /nfs/dbraw/zinc/23/90/88/513239088.db2.gz HMCHTXZDFFDZFJ-UHFFFAOYSA-N 1 3 355.530 2.729 20 0 FFADHO CC(C)N(Cc1ccc(NC(=O)NCC2C[NH2+]C2)cc1)C[C@H]1CCCCO1 ZINC000415409798 513246937 /nfs/dbraw/zinc/24/69/37/513246937.db2.gz UBSOUPFJCGTPLU-HXUWFJFHSA-N 1 3 374.529 2.807 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CN1Cc1ccccc1 ZINC000417887374 513256826 /nfs/dbraw/zinc/25/68/26/513256826.db2.gz ZZDGMGOHCPJHDG-DUXKGJEZSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417935472 513287403 /nfs/dbraw/zinc/28/74/03/513287403.db2.gz RDJFSOIEQHWLAH-OXJNMPFZSA-N 1 3 367.497 2.606 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417974341 513312216 /nfs/dbraw/zinc/31/22/16/513312216.db2.gz DFLRFYZZBAYBQM-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418015991 513336077 /nfs/dbraw/zinc/33/60/77/513336077.db2.gz QPSWYLXUPDEKEB-ICSRJNTNSA-N 1 3 370.541 2.682 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434496451 513341321 /nfs/dbraw/zinc/34/13/21/513341321.db2.gz IHSIDOKJDSMHMJ-FQEVSTJZSA-N 1 3 359.514 2.998 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418034290 513344878 /nfs/dbraw/zinc/34/48/78/513344878.db2.gz OFSKONAPJGMNQX-BQJUDKOJSA-N 1 3 372.557 2.830 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418036444 513346992 /nfs/dbraw/zinc/34/69/92/513346992.db2.gz QMELPIMVMQIYIM-YLJYHZDGSA-N 1 3 360.546 2.912 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418040696 513349944 /nfs/dbraw/zinc/34/99/44/513349944.db2.gz JKYZGFYTTPDDLU-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(Br)cc1 ZINC000429418316 513371680 /nfs/dbraw/zinc/37/16/80/513371680.db2.gz NEZBFEYFDGOVPK-RYQLBKOJSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(Br)cc1 ZINC000429418316 513371688 /nfs/dbraw/zinc/37/16/88/513371688.db2.gz NEZBFEYFDGOVPK-RYQLBKOJSA-N 1 3 367.331 2.817 20 0 FFADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418102893 513372925 /nfs/dbraw/zinc/37/29/25/513372925.db2.gz HYTQOGGUFHDQAH-TZIWHRDSSA-N 1 3 370.541 2.682 20 0 FFADHO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429492086 513391756 /nfs/dbraw/zinc/39/17/56/513391756.db2.gz MJACMJACLAWKLG-UXHICEINSA-N 1 3 372.557 2.805 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccco1 ZINC000418168090 513401938 /nfs/dbraw/zinc/40/19/38/513401938.db2.gz NVOFMCLMKTWCTO-CGTJXYLNSA-N 1 3 362.518 2.740 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccc(Cl)cc1 ZINC000418179804 513407731 /nfs/dbraw/zinc/40/77/31/513407731.db2.gz JWMWAEKFQMVWDJ-RRQGHBQHSA-N 1 3 352.910 2.854 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418193117 513414054 /nfs/dbraw/zinc/41/40/54/513414054.db2.gz NGKLPUXCJANLTJ-HOJAQTOUSA-N 1 3 360.546 2.914 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])N(C)C)cc1 ZINC000418227231 513430727 /nfs/dbraw/zinc/43/07/27/513430727.db2.gz CAJYGVJTXRVVBD-KYJSFNMBSA-N 1 3 364.559 2.780 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000418230145 513432446 /nfs/dbraw/zinc/43/24/46/513432446.db2.gz DREPHNHTXBRNBX-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000418230145 513432452 /nfs/dbraw/zinc/43/24/52/513432452.db2.gz DREPHNHTXBRNBX-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000418238327 513437016 /nfs/dbraw/zinc/43/70/16/513437016.db2.gz FLQJNAXZWMRRFT-RTBURBONSA-N 1 3 358.530 2.858 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000418305328 513457543 /nfs/dbraw/zinc/45/75/43/513457543.db2.gz HOYZHAKBOMHDPR-UHFFFAOYSA-N 1 3 372.435 2.531 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000441023255 513463226 /nfs/dbraw/zinc/46/32/26/513463226.db2.gz SMIUOSRIZQKBGW-MSOLQXFVSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000441023255 513463231 /nfs/dbraw/zinc/46/32/31/513463231.db2.gz SMIUOSRIZQKBGW-MSOLQXFVSA-N 1 3 350.551 2.815 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000415894904 513466028 /nfs/dbraw/zinc/46/60/28/513466028.db2.gz AEPVNUNEAWCMIK-LJQANCHMSA-N 1 3 356.470 2.839 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418346741 513475956 /nfs/dbraw/zinc/47/59/56/513475956.db2.gz CPGOZHFLDXXGSN-NRFANRHFSA-N 1 3 366.509 2.692 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418347603 513477817 /nfs/dbraw/zinc/47/78/17/513477817.db2.gz QONMHWFAULOZPI-IHPCNDPISA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418357560 513482063 /nfs/dbraw/zinc/48/20/63/513482063.db2.gz CXEQHCKXAUMVMP-INIZCTEOSA-N 1 3 372.435 2.531 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418411399 513498643 /nfs/dbraw/zinc/49/86/43/513498643.db2.gz PHJSDZFXOSVYJI-AQNXPRMDSA-N 1 3 373.545 2.595 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418410515 513499113 /nfs/dbraw/zinc/49/91/13/513499113.db2.gz OOSZZHMWIFKYQB-LEWJYISDSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418410754 513499202 /nfs/dbraw/zinc/49/92/02/513499202.db2.gz PNELSCXMWUPCSJ-MRXNPFEDSA-N 1 3 374.451 2.762 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)C1 ZINC000415960789 513501351 /nfs/dbraw/zinc/50/13/51/513501351.db2.gz CFVLSYOVQMZATQ-MRXNPFEDSA-N 1 3 356.392 2.724 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)C1 ZINC000415960789 513501356 /nfs/dbraw/zinc/50/13/56/513501356.db2.gz CFVLSYOVQMZATQ-MRXNPFEDSA-N 1 3 356.392 2.724 20 0 FFADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC(C)(C)C1 ZINC000413203994 513519404 /nfs/dbraw/zinc/51/94/04/513519404.db2.gz NIVSZVJSDVGFCY-UHFFFAOYSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000415992052 513523300 /nfs/dbraw/zinc/52/33/00/513523300.db2.gz ANKMGQBIRVSKSJ-KBMXLJTQSA-N 1 3 372.435 2.618 20 0 FFADHO [NH3+]CCCCNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000418515048 513539972 /nfs/dbraw/zinc/53/99/72/513539972.db2.gz VABPXTMJUICLPZ-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418550095 513552975 /nfs/dbraw/zinc/55/29/75/513552975.db2.gz SXEAKQLCOAAOOG-WIYYLYMNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CN1C1CC1 ZINC000441379048 513555548 /nfs/dbraw/zinc/55/55/48/513555548.db2.gz DEVVKOAKMQYVPN-IEBWSBKVSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CN1C1CC1 ZINC000441379048 513555557 /nfs/dbraw/zinc/55/55/57/513555557.db2.gz DEVVKOAKMQYVPN-IEBWSBKVSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCOc1cccc(I)c1 ZINC000435375625 513569437 /nfs/dbraw/zinc/56/94/37/513569437.db2.gz VVKGJIATRSLXOI-OLZOCXBDSA-N 1 3 374.266 2.729 20 0 FFADHO CC(C)(C)N1CC[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000425447531 513572193 /nfs/dbraw/zinc/57/21/93/513572193.db2.gz POJAZVJJSGSVEG-ZCNNSNEGSA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)(C)N1CC[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000425447531 513572195 /nfs/dbraw/zinc/57/21/95/513572195.db2.gz POJAZVJJSGSVEG-ZCNNSNEGSA-N 1 3 355.526 2.840 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418611297 513577154 /nfs/dbraw/zinc/57/71/54/513577154.db2.gz DGNOWOOVBLENDB-WOJBJXKFSA-N 1 3 373.545 2.595 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418622312 513579174 /nfs/dbraw/zinc/57/91/74/513579174.db2.gz NDSNQJUZYGYSSS-BWPNAZKDSA-N 1 3 358.530 2.994 20 0 FFADHO [NH3+]CCC[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1 ZINC000418636308 513586100 /nfs/dbraw/zinc/58/61/00/513586100.db2.gz MDGONJRNRGYMGV-VQTJNVASSA-N 1 3 352.482 2.653 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418647475 513589794 /nfs/dbraw/zinc/58/97/94/513589794.db2.gz YHVNZTDBCXQPLC-AZUAARDMSA-N 1 3 356.514 2.533 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000418657780 513598143 /nfs/dbraw/zinc/59/81/43/513598143.db2.gz UXNYGMVVHVYJLQ-FXAWDEMLSA-N 1 3 358.530 2.622 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000418657780 513598147 /nfs/dbraw/zinc/59/81/47/513598147.db2.gz UXNYGMVVHVYJLQ-FXAWDEMLSA-N 1 3 358.530 2.622 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418710106 513618980 /nfs/dbraw/zinc/61/89/80/513618980.db2.gz DQJXJCNVCWRGOY-XYPHTWIQSA-N 1 3 352.910 2.759 20 0 FFADHO CCN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418768497 513648524 /nfs/dbraw/zinc/64/85/24/513648524.db2.gz MLEMYCJCHSUHKQ-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422246925 513655960 /nfs/dbraw/zinc/65/59/60/513655960.db2.gz UWDRIPGYHHKREM-UHFFFAOYSA-N 1 3 362.518 2.758 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000418794041 513660067 /nfs/dbraw/zinc/66/00/67/513660067.db2.gz QQZZSJZBSVNIGT-VBSBHUPXSA-N 1 3 358.530 2.808 20 0 FFADHO [NH3+]CCCOC1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000430547662 513682720 /nfs/dbraw/zinc/68/27/20/513682720.db2.gz ACNDXUSGSNFPBR-UHFFFAOYSA-N 1 3 357.857 2.638 20 0 FFADHO CC[NH2+]CC1CCN(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)CC1 ZINC000430578390 513694097 /nfs/dbraw/zinc/69/40/97/513694097.db2.gz WTOCEPANTARMJD-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000430579045 513694442 /nfs/dbraw/zinc/69/44/42/513694442.db2.gz QEZMZOKMIAPOOU-HNNXBMFYSA-N 1 3 365.493 2.503 20 0 FFADHO C[C@@H](CC(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000430707024 513729929 /nfs/dbraw/zinc/72/99/29/513729929.db2.gz OSLFSHAKNCRFJO-AZUAARDMSA-N 1 3 373.541 2.803 20 0 FFADHO C[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCCC[C@H]1C ZINC000430765930 513742354 /nfs/dbraw/zinc/74/23/54/513742354.db2.gz WHIOCNALFYOEHD-SJORKVTESA-N 1 3 356.514 2.983 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)CN(C)C ZINC000425944772 513803758 /nfs/dbraw/zinc/80/37/58/513803758.db2.gz YVKJZBDRWDGNGB-IKGGRYGDSA-N 1 3 357.498 2.771 20 0 FFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431029370 513809601 /nfs/dbraw/zinc/80/96/01/513809601.db2.gz CPVBJXPRKGHASH-AWEZNQCLSA-N 1 3 351.441 2.560 20 0 FFADHO C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N(C)C1CC1 ZINC000442960009 513828793 /nfs/dbraw/zinc/82/87/93/513828793.db2.gz ATGGHBIGLSDUGF-SFGWALBWSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)N(C)C1CC1 ZINC000442960009 513828800 /nfs/dbraw/zinc/82/88/00/513828800.db2.gz ATGGHBIGLSDUGF-SFGWALBWSA-N 1 3 355.526 2.888 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000443056805 513855972 /nfs/dbraw/zinc/85/59/72/513855972.db2.gz DDYWUPUKPREUIO-CJNGLKHVSA-N 1 3 371.403 2.751 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CN(Cc2ccccc2)C1 ZINC000443069699 513862602 /nfs/dbraw/zinc/86/26/02/513862602.db2.gz NIOBCWFTUVOMSP-TZIWHRDSSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CN(Cc2ccccc2)C1 ZINC000443069697 513863493 /nfs/dbraw/zinc/86/34/93/513863493.db2.gz NIOBCWFTUVOMSP-PZJWPPBQSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000443232499 513907323 /nfs/dbraw/zinc/90/73/23/513907323.db2.gz VWQUJZOXCIIAPR-IEBWSBKVSA-N 1 3 360.546 2.927 20 0 FFADHO CN1CCN(Cc2ccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422712874 513910368 /nfs/dbraw/zinc/91/03/68/513910368.db2.gz OTJFKCIFBWNMRF-YADHBBJMSA-N 1 3 350.510 2.668 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000422722662 513914282 /nfs/dbraw/zinc/91/42/82/513914282.db2.gz YKJXTCPSDCSVKR-WTOYTKOKSA-N 1 3 371.500 2.747 20 0 FFADHO c1cc2c(s1)CCN(CCN[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422740978 513919388 /nfs/dbraw/zinc/91/93/88/513919388.db2.gz ONUXXUKDHADTTI-GHTZIAJQSA-N 1 3 369.534 2.952 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cc(OC)ccc2OC)CC[NH2+]CC1 ZINC000422760634 513924460 /nfs/dbraw/zinc/92/44/60/513924460.db2.gz GUBOGVHPQTXYTA-LSDHHAIUSA-N 1 3 364.486 2.676 20 0 FFADHO CCOc1cc(CCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000422762180 513925226 /nfs/dbraw/zinc/92/52/26/513925226.db2.gz RZTJVSGQVUQELO-GUDVDZBRSA-N 1 3 362.514 2.773 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000422802039 513937143 /nfs/dbraw/zinc/93/71/43/513937143.db2.gz GRQGYYMXJVTNMB-BWAGFHJFSA-N 1 3 353.510 2.608 20 0 FFADHO [NH3+][C@@H]1C[C@H](NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000422836685 513946520 /nfs/dbraw/zinc/94/65/20/513946520.db2.gz RSBWKAPDGUIRCU-PKTZIBPZSA-N 1 3 364.537 2.929 20 0 FFADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422862258 513956648 /nfs/dbraw/zinc/95/66/48/513956648.db2.gz POCXQYJHQBHLPB-OKZBNKHCSA-N 1 3 362.514 2.728 20 0 FFADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885902 513963914 /nfs/dbraw/zinc/96/39/14/513963914.db2.gz ZJRUDSMWJXQGOH-JKSUJKDBSA-N 1 3 353.304 2.967 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000422908658 513973335 /nfs/dbraw/zinc/97/33/35/513973335.db2.gz YXVVWRQHKIFDKZ-ORYQWCPZSA-N 1 3 367.493 2.852 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000422908660 513973620 /nfs/dbraw/zinc/97/36/20/513973620.db2.gz YXVVWRQHKIFDKZ-ZLGUVYLKSA-N 1 3 367.493 2.852 20 0 FFADHO CCC[C@H]1CNCCN1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416808881 513976037 /nfs/dbraw/zinc/97/60/37/513976037.db2.gz AMTHHSPKRCEFQE-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000414106581 513977392 /nfs/dbraw/zinc/97/73/92/513977392.db2.gz XOCCITZGSJZOKY-CYBMUJFWSA-N 1 3 370.335 2.852 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000416824205 513984316 /nfs/dbraw/zinc/98/43/16/513984316.db2.gz OYIDTHSQXHZZQH-ICSRJNTNSA-N 1 3 374.529 2.664 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cc2)C[C@@H](C)O1 ZINC000422942046 513984641 /nfs/dbraw/zinc/98/46/41/513984641.db2.gz JXHPJHWCZHZVKD-YAJHFMINSA-N 1 3 359.514 2.686 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H](C[NH3+])C2CC2)c2cccs2)CC1 ZINC000416828494 513987460 /nfs/dbraw/zinc/98/74/60/513987460.db2.gz DWSOAQPLHRHQBQ-HZPDHXFCSA-N 1 3 350.532 2.558 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416828368 513987966 /nfs/dbraw/zinc/98/79/66/513987966.db2.gz RXYNOTODOLVAND-PKOBYXMFSA-N 1 3 362.518 2.649 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C[C@@H]1C[NH3+] ZINC000416831346 513988220 /nfs/dbraw/zinc/98/82/20/513988220.db2.gz BAQOIGMQGOEJDY-PMPSAXMXSA-N 1 3 350.532 2.511 20 0 FFADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000416832083 513989239 /nfs/dbraw/zinc/98/92/39/513989239.db2.gz IFSKXGGLZWTAPD-CVEARBPZSA-N 1 3 350.532 2.524 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)N(C)C)cc1 ZINC000416830829 513989496 /nfs/dbraw/zinc/98/94/96/513989496.db2.gz AOUTWVQESOVWGT-YRPNKDGESA-N 1 3 358.530 2.621 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422956310 513989802 /nfs/dbraw/zinc/98/98/02/513989802.db2.gz PFWSMLINFJABMW-JSGCOSHPSA-N 1 3 354.292 2.803 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422956145 513990573 /nfs/dbraw/zinc/99/05/73/513990573.db2.gz KTAFOTOXUVUWIM-CZUORRHYSA-N 1 3 350.434 2.560 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416837024 513992105 /nfs/dbraw/zinc/99/21/05/513992105.db2.gz HHGWFTVPZRFHIV-QFBILLFUSA-N 1 3 362.543 2.670 20 0 FFADHO [NH3+]C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000416837663 513992962 /nfs/dbraw/zinc/99/29/62/513992962.db2.gz IGOFERFJIZEZDD-HOTGVXAUSA-N 1 3 350.532 2.702 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416841265 513995812 /nfs/dbraw/zinc/99/58/12/513995812.db2.gz LWCVLKFBOKVCSF-QHAWAJNXSA-N 1 3 372.557 2.723 20 0 FFADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000416846860 514000768 /nfs/dbraw/zinc/00/07/68/514000768.db2.gz UTBZKHBLSIXLLI-PMACEKPBSA-N 1 3 370.541 2.681 20 0 FFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(OC(F)(F)F)cc1 ZINC000422992564 514002029 /nfs/dbraw/zinc/00/20/29/514002029.db2.gz RJXLETVKAFHGNW-LSVZVQIISA-N 1 3 358.404 2.609 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CC(C)(C)Cc3occc32)(N2CCOCC2)CC1 ZINC000414185702 514002254 /nfs/dbraw/zinc/00/22/54/514002254.db2.gz HANGWUSBHYWYQM-SFHVURJKSA-N 1 3 361.530 2.679 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416853335 514004636 /nfs/dbraw/zinc/00/46/36/514004636.db2.gz UABSMSSRMDHHIA-SJORKVTESA-N 1 3 364.559 2.915 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cn(-c3ccccc3)nc2C)CC[NH2+]CC1 ZINC000423037978 514014865 /nfs/dbraw/zinc/01/48/65/514014865.db2.gz XGMDMLDGAUHRCD-QGZVFWFLSA-N 1 3 370.497 2.592 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCOc3cc(F)ccc32)CC[NH2+]CC1 ZINC000423040329 514015326 /nfs/dbraw/zinc/01/53/26/514015326.db2.gz GVAJBOHLKBTWJC-PBHICJAKSA-N 1 3 364.461 2.950 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000431865388 514026263 /nfs/dbraw/zinc/02/62/63/514026263.db2.gz PVAVYVHKWFTFJN-QFBILLFUSA-N 1 3 350.551 2.813 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1cccc(Br)c1 ZINC000423074865 514029341 /nfs/dbraw/zinc/02/93/41/514029341.db2.gz MYCAFVYVNWCJJS-DJIMGWMZSA-N 1 3 355.320 2.850 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423079949 514032783 /nfs/dbraw/zinc/03/27/83/514032783.db2.gz YXZKAWYSBBDUOP-HLLBOEOZSA-N 1 3 355.320 2.707 20 0 FFADHO C[C@H](CCCC[NH3+])N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000423081993 514033601 /nfs/dbraw/zinc/03/36/01/514033601.db2.gz DRGHRKUPQVWABT-DOMZBBRYSA-N 1 3 354.292 2.662 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCn1cc(Br)cn1 ZINC000423086498 514036266 /nfs/dbraw/zinc/03/62/66/514036266.db2.gz NHQJDWSEVYOVAS-LBPRGKRZSA-N 1 3 366.307 2.939 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(OC)c1 ZINC000416905611 514037003 /nfs/dbraw/zinc/03/70/03/514037003.db2.gz GKCDHBMVICEWCQ-SZVBFZGTSA-N 1 3 362.518 2.518 20 0 FFADHO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426770001 514037105 /nfs/dbraw/zinc/03/71/05/514037105.db2.gz NWEHTXOETSAZNV-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO FC(F)(F)COc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423106299 514044087 /nfs/dbraw/zinc/04/40/87/514044087.db2.gz ZOKCYQCOUWLLEP-KZNAEPCWSA-N 1 3 372.431 2.917 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1cccc(OC)c1 ZINC000416928716 514050622 /nfs/dbraw/zinc/05/06/22/514050622.db2.gz VQBBNLUIHGYEPV-TVPLGVNVSA-N 1 3 362.518 2.647 20 0 FFADHO C[C@H](C[NH2+]CCCN1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449063341 514056653 /nfs/dbraw/zinc/05/66/53/514056653.db2.gz PFUCERHVNLXMCQ-QGZVFWFLSA-N 1 3 352.544 2.905 20 0 FFADHO C[C@H](CNCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449063341 514056659 /nfs/dbraw/zinc/05/66/59/514056659.db2.gz PFUCERHVNLXMCQ-QGZVFWFLSA-N 1 3 352.544 2.905 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@H]2CC[NH2+]CC[C@H]2C)cc1Br ZINC000423148988 514059323 /nfs/dbraw/zinc/05/93/23/514059323.db2.gz ACJTVUUHRYHHMA-HFTRVMKXSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCNCC[C@H]2C)cc1Br ZINC000423148988 514059326 /nfs/dbraw/zinc/05/93/26/514059326.db2.gz ACJTVUUHRYHHMA-HFTRVMKXSA-N 1 3 369.347 2.886 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000423147514 514059721 /nfs/dbraw/zinc/05/97/21/514059721.db2.gz CQALLDKOJDWLLU-RXVVDRJESA-N 1 3 358.530 2.717 20 0 FFADHO COC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423148030 514060583 /nfs/dbraw/zinc/06/05/83/514060583.db2.gz DWRGBIIBYPCHTI-WZGPROSRSA-N 1 3 352.906 2.817 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449080192 514063449 /nfs/dbraw/zinc/06/34/49/514063449.db2.gz UAWJIIDIFOQUGA-NHCUHLMSSA-N 1 3 372.601 2.698 20 0 FFADHO CCCCCNC(=O)C1CC[NH+](C[C@@H](CN)c2ccc(OC)cc2)CC1 ZINC000420295933 514078814 /nfs/dbraw/zinc/07/88/14/514078814.db2.gz BERGZEHXZZWYQC-LJQANCHMSA-N 1 3 361.530 2.756 20 0 FFADHO Clc1cc(Br)cc2c1CC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423200624 514078836 /nfs/dbraw/zinc/07/88/36/514078836.db2.gz FZZRASKNSQNIPW-OAHLLOKOSA-N 1 3 358.711 2.585 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3C[C@H](C)NC[C@@H]3C)cc2)C1 ZINC000416973356 514079120 /nfs/dbraw/zinc/07/91/20/514079120.db2.gz UWNBSJPIBYSDEJ-SQNIBIBYSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3C[C@H](C)NC[C@@H]3C)cc2)C1 ZINC000416973356 514079124 /nfs/dbraw/zinc/07/91/24/514079124.db2.gz UWNBSJPIBYSDEJ-SQNIBIBYSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc(OCCN(C)C)c1 ZINC000423235321 514087957 /nfs/dbraw/zinc/08/79/57/514087957.db2.gz QVYZEMJUPOMHLN-QGZVFWFLSA-N 1 3 369.513 2.605 20 0 FFADHO c1cc(CN(CCN2C[C@H]3CC[C@@H](C2)O3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313681 514088512 /nfs/dbraw/zinc/08/85/12/514088512.db2.gz PQQJAGVHUVLUOV-OTWHNJEPSA-N 1 3 361.555 2.555 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@H]21 ZINC000420316474 514091198 /nfs/dbraw/zinc/09/11/98/514091198.db2.gz YFFAABGLQHEMAL-ZPUIDXCVSA-N 1 3 351.853 2.644 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000420326045 514093714 /nfs/dbraw/zinc/09/37/14/514093714.db2.gz JBNLNCRLDBGDEC-WOJBJXKFSA-N 1 3 355.526 2.808 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2(N(C)C)CCOCC2)CC1 ZINC000449153231 514094905 /nfs/dbraw/zinc/09/49/05/514094905.db2.gz JBQQZUYJKWMTCX-IBGZPJMESA-N 1 3 359.558 2.782 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423291138 514101188 /nfs/dbraw/zinc/10/11/88/514101188.db2.gz GZXPWSGLOLVKGV-CHWSQXEVSA-N 1 3 364.287 2.809 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000420345718 514103759 /nfs/dbraw/zinc/10/37/59/514103759.db2.gz WLSOPLOERZSCCY-MSOLQXFVSA-N 1 3 361.555 2.607 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417009011 514113715 /nfs/dbraw/zinc/11/37/15/514113715.db2.gz JRSZKDTXAVYVLR-AHRSYUTCSA-N 1 3 358.530 2.592 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)Cc1ccccc1 ZINC000417013526 514119202 /nfs/dbraw/zinc/11/92/02/514119202.db2.gz YQVYSHQJUIETGB-NHCUHLMSSA-N 1 3 368.525 2.939 20 0 FFADHO CCCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000417027067 514128293 /nfs/dbraw/zinc/12/82/93/514128293.db2.gz ZNZLLJVWPJUFCD-VQTJNVASSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423437377 514142661 /nfs/dbraw/zinc/14/26/61/514142661.db2.gz QIHCGQNVAQPENX-ZJUUUORDSA-N 1 3 368.330 2.809 20 0 FFADHO CN1CCC(C[NH2+]Cc2cccc(C(F)(F)F)c2)(N2CCOCC2)CC1 ZINC000414487609 514145590 /nfs/dbraw/zinc/14/55/90/514145590.db2.gz SOQAUAOOJHYSHD-UHFFFAOYSA-N 1 3 371.447 2.592 20 0 FFADHO CN1CCO[C@H]([C@H](NCCC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000423478311 514149207 /nfs/dbraw/zinc/14/92/07/514149207.db2.gz LBELNOAHPBHJCL-CEXWTWQISA-N 1 3 351.922 2.834 20 0 FFADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCO1 ZINC000432414167 514188612 /nfs/dbraw/zinc/18/86/12/514188612.db2.gz QTCOFYHMQNXFIM-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO COCCOC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000449393349 514193767 /nfs/dbraw/zinc/19/37/67/514193767.db2.gz MQMQZAUJOPGDTC-UYAOXDASSA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000449393349 514193769 /nfs/dbraw/zinc/19/37/69/514193769.db2.gz MQMQZAUJOPGDTC-UYAOXDASSA-N 1 3 368.562 2.831 20 0 FFADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449464798 514219912 /nfs/dbraw/zinc/21/99/12/514219912.db2.gz ZLBFMJDXGNIQLX-ZGJYDULXSA-N 1 3 358.526 2.928 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000414673656 514234950 /nfs/dbraw/zinc/23/49/50/514234950.db2.gz JDILZWJFOAZAGH-PGRDOPGGSA-N 1 3 363.505 2.831 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000414673656 514234955 /nfs/dbraw/zinc/23/49/55/514234955.db2.gz JDILZWJFOAZAGH-PGRDOPGGSA-N 1 3 363.505 2.831 20 0 FFADHO C[C@@H]1C[C@@H](CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)CC[NH2+]1 ZINC000414700354 514247796 /nfs/dbraw/zinc/24/77/96/514247796.db2.gz JQFGHYBRQNXXST-CVEARBPZSA-N 1 3 350.576 2.946 20 0 FFADHO [NH3+]C1CCN(CCCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000423841006 514258187 /nfs/dbraw/zinc/25/81/87/514258187.db2.gz FPLPOQGSSBMQKV-UHFFFAOYSA-N 1 3 351.401 2.642 20 0 FFADHO CCC1(Cc2ccccc2)CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414768246 514283281 /nfs/dbraw/zinc/28/32/81/514283281.db2.gz UOTIVXRZUKGCAZ-FQEVSTJZSA-N 1 3 357.542 2.919 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000420776799 514290996 /nfs/dbraw/zinc/29/09/96/514290996.db2.gz GBASZLIIOHNMCU-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000420776799 514290998 /nfs/dbraw/zinc/29/09/98/514290998.db2.gz GBASZLIIOHNMCU-IRXDYDNUSA-N 1 3 364.559 2.696 20 0 FFADHO CC(C)(C)c1nn(-c2ccccc2)cc1CNCCCN1CC[NH2+]CC1 ZINC000414784074 514292217 /nfs/dbraw/zinc/29/22/17/514292217.db2.gz RLMRIIGKARXAHB-UHFFFAOYSA-N 1 3 355.530 2.555 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000420787823 514298062 /nfs/dbraw/zinc/29/80/62/514298062.db2.gz CKGODOLDMTUBIW-PMACEKPBSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000420787823 514298066 /nfs/dbraw/zinc/29/80/66/514298066.db2.gz CKGODOLDMTUBIW-PMACEKPBSA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)[C@H](N)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414803295 514301411 /nfs/dbraw/zinc/30/14/11/514301411.db2.gz WKOOJYJXKRFZLD-QGZVFWFLSA-N 1 3 354.336 2.986 20 0 FFADHO CC(C)[C@H]([NH3+])CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414803295 514301417 /nfs/dbraw/zinc/30/14/17/514301417.db2.gz WKOOJYJXKRFZLD-QGZVFWFLSA-N 1 3 354.336 2.986 20 0 FFADHO [NH3+]CCC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000423973627 514317078 /nfs/dbraw/zinc/31/70/78/514317078.db2.gz QZYHLWJIYDXJMO-IBGZPJMESA-N 1 3 359.514 2.618 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417372391 514319485 /nfs/dbraw/zinc/31/94/85/514319485.db2.gz VYWUCMNRAKEMEE-FUHWJXTLSA-N 1 3 366.575 2.975 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417375511 514320352 /nfs/dbraw/zinc/32/03/52/514320352.db2.gz CAMCZRGWCZMSSD-INIZCTEOSA-N 1 3 352.548 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420827819 514322540 /nfs/dbraw/zinc/32/25/40/514322540.db2.gz SQNXPVLLRMEFAJ-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420827819 514322543 /nfs/dbraw/zinc/32/25/43/514322543.db2.gz SQNXPVLLRMEFAJ-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000420827205 514323066 /nfs/dbraw/zinc/32/30/66/514323066.db2.gz BTXMMPKYZWCXGL-VQTJNVASSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000420827205 514323075 /nfs/dbraw/zinc/32/30/75/514323075.db2.gz BTXMMPKYZWCXGL-VQTJNVASSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414857876 514327450 /nfs/dbraw/zinc/32/74/50/514327450.db2.gz QKGZGQBEKMHPFV-INMHGKMJSA-N 1 3 372.513 2.730 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438326724 514355400 /nfs/dbraw/zinc/35/54/00/514355400.db2.gz KFXYLCKHTFXFNR-LJQANCHMSA-N 1 3 350.551 2.909 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438326724 514355409 /nfs/dbraw/zinc/35/54/09/514355409.db2.gz KFXYLCKHTFXFNR-LJQANCHMSA-N 1 3 350.551 2.909 20 0 FFADHO CN(CCCN(C)C(=O)NC1CCC([NH+](C)C)CC1)Cc1ccco1 ZINC000420895498 514359976 /nfs/dbraw/zinc/35/99/76/514359976.db2.gz UDGRBOGIPDJALC-UHFFFAOYSA-N 1 3 350.507 2.616 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000449829028 514376475 /nfs/dbraw/zinc/37/64/75/514376475.db2.gz YLOATSOWZASZIR-SESVDKBCSA-N 1 3 373.541 2.673 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000449829028 514376477 /nfs/dbraw/zinc/37/64/77/514376477.db2.gz YLOATSOWZASZIR-SESVDKBCSA-N 1 3 373.541 2.673 20 0 FFADHO CN(c1ccccc1CN[C@@H](CC[NH3+])C(F)(F)F)C1CCN(C)CC1 ZINC000415053728 514418791 /nfs/dbraw/zinc/41/87/91/514418791.db2.gz KNPJFDWJEPHICY-KRWDZBQOSA-N 1 3 358.452 2.586 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccc(OC)cc3)CC2)CC1 ZINC000420984118 514420464 /nfs/dbraw/zinc/42/04/64/514420464.db2.gz SJVRBTVJERWFEJ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCOc3ccc(OC)cc3)CC2)CC1 ZINC000420984118 514420473 /nfs/dbraw/zinc/42/04/73/514420473.db2.gz SJVRBTVJERWFEJ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CC[NH+]1CCC(N2CCCN(CCOc3ccc(OC)cc3)CC2)CC1 ZINC000420984118 514420481 /nfs/dbraw/zinc/42/04/81/514420481.db2.gz SJVRBTVJERWFEJ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000415082376 514435523 /nfs/dbraw/zinc/43/55/23/514435523.db2.gz LWVUEEDSCOHCPZ-BRKWEVRTSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000417622747 514440302 /nfs/dbraw/zinc/44/03/02/514440302.db2.gz IQMSZCUDEMCKSY-AYOQOUSVSA-N 1 3 358.530 2.803 20 0 FFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3(O)CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000424341210 514459953 /nfs/dbraw/zinc/45/99/53/514459953.db2.gz ZJYWXNGMAXHKRU-FXELSEDVSA-N 1 3 358.526 2.807 20 0 FFADHO Cc1cc(CN2CCC[C@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000415133367 514460091 /nfs/dbraw/zinc/46/00/91/514460091.db2.gz VDKXQRHBZOAEBN-HNNXBMFYSA-N 1 3 353.392 2.901 20 0 FFADHO Cc1cc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000415133367 514460097 /nfs/dbraw/zinc/46/00/97/514460097.db2.gz VDKXQRHBZOAEBN-HNNXBMFYSA-N 1 3 353.392 2.901 20 0 FFADHO Cc1cc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000415133367 514460104 /nfs/dbraw/zinc/46/01/04/514460104.db2.gz VDKXQRHBZOAEBN-HNNXBMFYSA-N 1 3 353.392 2.901 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000421060429 514464123 /nfs/dbraw/zinc/46/41/23/514464123.db2.gz IUWXIENBFFENJE-QGZVFWFLSA-N 1 3 362.518 2.965 20 0 FFADHO CN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475018030 514523743 /nfs/dbraw/zinc/52/37/43/514523743.db2.gz YDHQHSQBUCLHLM-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC000475023588 514527514 /nfs/dbraw/zinc/52/75/14/514527514.db2.gz PFYUOMAZQBGXHQ-RBBKRZOGSA-N 1 3 365.521 2.970 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccncn1 ZINC000453059507 514532013 /nfs/dbraw/zinc/53/20/13/514532013.db2.gz IUXARVJBDBIDFE-IBGZPJMESA-N 1 3 353.514 2.725 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](Cn2cccn2)C(C)C)CC1 ZINC000453058945 514532940 /nfs/dbraw/zinc/53/29/40/514532940.db2.gz HRSMNUNXCXEXFX-QFIPXVFZSA-N 1 3 369.557 2.835 20 0 FFADHO C[C@H](Cc1cnccn1)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000453074989 514536900 /nfs/dbraw/zinc/53/69/00/514536900.db2.gz KLGBMGSCKBPCSG-LJQANCHMSA-N 1 3 353.514 2.600 20 0 FFADHO CN(C)C1(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)Cc2ccccc2C1 ZINC000466015680 514540225 /nfs/dbraw/zinc/54/02/25/514540225.db2.gz ISUNTRNOGBNQSB-HXUWFJFHSA-N 1 3 372.557 2.601 20 0 FFADHO CN(C)C1(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)Cc2ccccc2C1 ZINC000466015680 514540232 /nfs/dbraw/zinc/54/02/32/514540232.db2.gz ISUNTRNOGBNQSB-HXUWFJFHSA-N 1 3 372.557 2.601 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ncc(-c2ccccc2)n1C ZINC000453111517 514547554 /nfs/dbraw/zinc/54/75/54/514547554.db2.gz OSRATHMGJRHIMY-PKOBYXMFSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ncc(-c2ccccc2)n1C ZINC000453111517 514547560 /nfs/dbraw/zinc/54/75/60/514547560.db2.gz OSRATHMGJRHIMY-PKOBYXMFSA-N 1 3 356.514 2.975 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CN(C4CC4)CCO3)[C@H]3CCC[C@@H]32)cc1 ZINC000453131432 514553580 /nfs/dbraw/zinc/55/35/80/514553580.db2.gz CQGACUHOYQBNGV-LUKWVAJMSA-N 1 3 369.553 2.882 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CN(C4CC4)CCO3)[C@H]3CCC[C@@H]32)cc1 ZINC000453131432 514553582 /nfs/dbraw/zinc/55/35/82/514553582.db2.gz CQGACUHOYQBNGV-LUKWVAJMSA-N 1 3 369.553 2.882 20 0 FFADHO COC1([C@@H](C)[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCOCC1 ZINC000453220094 514572760 /nfs/dbraw/zinc/57/27/60/514572760.db2.gz WTUFQUSPCDMDPK-QGZVFWFLSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466214970 514578308 /nfs/dbraw/zinc/57/83/08/514578308.db2.gz DBTBBMKBNOXUQR-MJQMVNBJSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466214970 514578315 /nfs/dbraw/zinc/57/83/15/514578315.db2.gz DBTBBMKBNOXUQR-MJQMVNBJSA-N 1 3 350.551 2.526 20 0 FFADHO OCCN1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453262872 514582132 /nfs/dbraw/zinc/58/21/32/514582132.db2.gz LBKAKWCFEIGCCH-LRSLUSHPSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453262872 514582140 /nfs/dbraw/zinc/58/21/40/514582140.db2.gz LBKAKWCFEIGCCH-LRSLUSHPSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453262872 514582146 /nfs/dbraw/zinc/58/21/46/514582146.db2.gz LBKAKWCFEIGCCH-LRSLUSHPSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453274549 514586119 /nfs/dbraw/zinc/58/61/19/514586119.db2.gz WKUODBSWEOUODN-SSGKUCQKSA-N 1 3 371.569 2.866 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453274549 514586123 /nfs/dbraw/zinc/58/61/23/514586123.db2.gz WKUODBSWEOUODN-SSGKUCQKSA-N 1 3 371.569 2.866 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453274549 514586127 /nfs/dbraw/zinc/58/61/27/514586127.db2.gz WKUODBSWEOUODN-SSGKUCQKSA-N 1 3 371.569 2.866 20 0 FFADHO O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@@H]2CCCCN12 ZINC000453436742 514637578 /nfs/dbraw/zinc/63/75/78/514637578.db2.gz LOZOJLCETATZGY-ALGQRKQJSA-N 1 3 353.510 2.925 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CN1Cc1ccccc1 ZINC000466501851 514665939 /nfs/dbraw/zinc/66/59/39/514665939.db2.gz GJWDPNCIUYOWKC-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CN1Cc1ccccc1 ZINC000466501851 514665949 /nfs/dbraw/zinc/66/59/49/514665949.db2.gz GJWDPNCIUYOWKC-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000466517857 514672540 /nfs/dbraw/zinc/67/25/40/514672540.db2.gz KRHFVXQNAKOWMH-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000508307993 514737500 /nfs/dbraw/zinc/73/75/00/514737500.db2.gz XLYQYGZBRMXHFP-UHFFFAOYSA-N 1 3 370.582 2.636 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502757867 514764320 /nfs/dbraw/zinc/76/43/20/514764320.db2.gz ALKGBOAAISYRMV-KMEYYKJISA-N 1 3 362.562 2.811 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)Cc1ccccc1 ZINC000498165017 514787571 /nfs/dbraw/zinc/78/75/71/514787571.db2.gz HYWQQEPZEFCHCX-ACRUOGEOSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000502862211 514814744 /nfs/dbraw/zinc/81/47/44/514814744.db2.gz NBKZTVILEYTLQS-CALCHBBNSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000502862211 514814754 /nfs/dbraw/zinc/81/47/54/514814754.db2.gz NBKZTVILEYTLQS-CALCHBBNSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000466932778 514832666 /nfs/dbraw/zinc/83/26/66/514832666.db2.gz LZQMTEGCVDVNST-HBFSDRIKSA-N 1 3 362.562 2.767 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000458512785 514859463 /nfs/dbraw/zinc/85/94/63/514859463.db2.gz ZOZRUYGGOKHELK-LJQANCHMSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCN(C2CCC2)C1 ZINC000489476257 514861677 /nfs/dbraw/zinc/86/16/77/514861677.db2.gz NCTKNVQCTOUWOF-QGZVFWFLSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000476056160 514900297 /nfs/dbraw/zinc/90/02/97/514900297.db2.gz PCMRRGGOKPZSFJ-GOSISDBHSA-N 1 3 370.582 2.541 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)CC[C@H]2C)N2CCCC2)cc1 ZINC000503116586 514924513 /nfs/dbraw/zinc/92/45/13/514924513.db2.gz LFQPWUBGXNAJAY-YLJYHZDGSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)N2CCCC2)cc1 ZINC000503116586 514924522 /nfs/dbraw/zinc/92/45/22/514924522.db2.gz LFQPWUBGXNAJAY-YLJYHZDGSA-N 1 3 374.529 2.568 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000503147517 514934958 /nfs/dbraw/zinc/93/49/58/514934958.db2.gz XTFKZLUWTDMNQY-WOJBJXKFSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000503147517 514934970 /nfs/dbraw/zinc/93/49/70/514934970.db2.gz XTFKZLUWTDMNQY-WOJBJXKFSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000503149341 514935466 /nfs/dbraw/zinc/93/54/66/514935466.db2.gz BMIGOBRTIXVOMW-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000503149341 514935476 /nfs/dbraw/zinc/93/54/76/514935476.db2.gz BMIGOBRTIXVOMW-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO c1cc(N2CCC([NH2+]CC3(N4CCCCC4)CCOCC3)CC2)ccn1 ZINC000485223654 514963471 /nfs/dbraw/zinc/96/34/71/514963471.db2.gz BFEXWRYIORRTAQ-UHFFFAOYSA-N 1 3 358.530 2.675 20 0 FFADHO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000480522735 514987190 /nfs/dbraw/zinc/98/71/90/514987190.db2.gz GBACZYNEKQXJNR-INIZCTEOSA-N 1 3 359.514 2.679 20 0 FFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1cccc(Br)c1 ZINC000489823123 514987139 /nfs/dbraw/zinc/98/71/39/514987139.db2.gz FSWOSSASUBZSGZ-HNNXBMFYSA-N 1 3 354.292 2.981 20 0 FFADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489846421 514996699 /nfs/dbraw/zinc/99/66/99/514996699.db2.gz WWWMHXVMAXKBHZ-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489846421 514996712 /nfs/dbraw/zinc/99/67/12/514996712.db2.gz WWWMHXVMAXKBHZ-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](NC(=O)N(C)CCN1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714439 515037280 /nfs/dbraw/zinc/03/72/80/515037280.db2.gz LOEXMOCPNNWDNU-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](NC(=O)N(C)CCN1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714439 515037290 /nfs/dbraw/zinc/03/72/90/515037290.db2.gz LOEXMOCPNNWDNU-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCCN3C3CCOCC3)ccc21 ZINC000456275935 515064552 /nfs/dbraw/zinc/06/45/52/515064552.db2.gz NKNOBPUWWWFPSQ-UXHICEINSA-N 1 3 357.498 2.817 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000458773764 515081682 /nfs/dbraw/zinc/08/16/82/515081682.db2.gz PTMUTKZOLFKZAT-HZPDHXFCSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000456329553 515098833 /nfs/dbraw/zinc/09/88/33/515098833.db2.gz IOQJAVGEUGHVLM-GOSISDBHSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000485631907 515119851 /nfs/dbraw/zinc/11/98/51/515119851.db2.gz WOYRRUOKIJAYHK-AYWYSENESA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000485631907 515119860 /nfs/dbraw/zinc/11/98/60/515119860.db2.gz WOYRRUOKIJAYHK-AYWYSENESA-N 1 3 370.541 2.948 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000490185479 515133077 /nfs/dbraw/zinc/13/30/77/515133077.db2.gz XBQGZIYMQJVSGT-IBGZPJMESA-N 1 3 364.509 2.992 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000490185480 515133448 /nfs/dbraw/zinc/13/34/48/515133448.db2.gz XBQGZIYMQJVSGT-LJQANCHMSA-N 1 3 364.509 2.992 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCc3sccc3C2)[C@@H](C)C1 ZINC000481021525 515176964 /nfs/dbraw/zinc/17/69/64/515176964.db2.gz JRVCVHJPWYFRQR-PKOBYXMFSA-N 1 3 365.587 2.833 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCc3sccc3C2)[C@@H](C)C1 ZINC000481021525 515176969 /nfs/dbraw/zinc/17/69/69/515176969.db2.gz JRVCVHJPWYFRQR-PKOBYXMFSA-N 1 3 365.587 2.833 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000490357741 515187814 /nfs/dbraw/zinc/18/78/14/515187814.db2.gz ATSFZSLIVBPONL-SJLPKXTDSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[N@H+](C2CCC2)C1 ZINC000490357741 515187822 /nfs/dbraw/zinc/18/78/22/515187822.db2.gz ATSFZSLIVBPONL-SJLPKXTDSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000499187672 515230169 /nfs/dbraw/zinc/23/01/69/515230169.db2.gz JMGZOHSDZBCSOM-TYPHKJRUSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000499187672 515230177 /nfs/dbraw/zinc/23/01/77/515230177.db2.gz JMGZOHSDZBCSOM-TYPHKJRUSA-N 1 3 372.557 2.927 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)cs1 ZINC000459019008 515268498 /nfs/dbraw/zinc/26/84/98/515268498.db2.gz NGICJSBHOVLLKW-MRXNPFEDSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)cs1 ZINC000459019008 515268504 /nfs/dbraw/zinc/26/85/04/515268504.db2.gz NGICJSBHOVLLKW-MRXNPFEDSA-N 1 3 352.548 2.614 20 0 FFADHO CN(C(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459131820 515342807 /nfs/dbraw/zinc/34/28/07/515342807.db2.gz BDWBIRZECDFPEB-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459131820 515342815 /nfs/dbraw/zinc/34/28/15/515342815.db2.gz BDWBIRZECDFPEB-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000490991354 515350304 /nfs/dbraw/zinc/35/03/04/515350304.db2.gz ARZXHCLXISQGQR-JXFKEZNVSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000490991354 515350310 /nfs/dbraw/zinc/35/03/10/515350310.db2.gz ARZXHCLXISQGQR-JXFKEZNVSA-N 1 3 356.489 2.832 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cc(C)ccc1C ZINC000499507967 515351771 /nfs/dbraw/zinc/35/17/71/515351771.db2.gz LCFPWACESKGVDK-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cc(C)ccc1C ZINC000499507967 515351781 /nfs/dbraw/zinc/35/17/81/515351781.db2.gz LCFPWACESKGVDK-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-n2cccc2)cc1 ZINC000499522835 515357828 /nfs/dbraw/zinc/35/78/28/515357828.db2.gz XHCVGEQMPPIRGR-OAQYLSRUSA-N 1 3 368.525 2.965 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-n2cccc2)cc1 ZINC000499522835 515357833 /nfs/dbraw/zinc/35/78/33/515357833.db2.gz XHCVGEQMPPIRGR-OAQYLSRUSA-N 1 3 368.525 2.965 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)[NH+]1CCCC1 ZINC000477342768 515418669 /nfs/dbraw/zinc/41/86/69/515418669.db2.gz UCGJSJNJXSDHHO-AZUAARDMSA-N 1 3 360.546 2.927 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000459245874 515420300 /nfs/dbraw/zinc/42/03/00/515420300.db2.gz BQYVZNCOICJYDM-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000459245874 515420307 /nfs/dbraw/zinc/42/03/07/515420307.db2.gz BQYVZNCOICJYDM-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@H](CCNC(=O)NCCN1CCC[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000472973463 515461732 /nfs/dbraw/zinc/46/17/32/515461732.db2.gz ZJCKNOJPRBGBRC-RTBURBONSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](CCNC(=O)NCCN1CCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000472973463 515461738 /nfs/dbraw/zinc/46/17/38/515461738.db2.gz ZJCKNOJPRBGBRC-RTBURBONSA-N 1 3 360.546 2.928 20 0 FFADHO CCOc1cc2nccc(N3CCC[N@@H+]([C@@H](C)CO)CC3)c2cc1OCC ZINC000468748523 515501898 /nfs/dbraw/zinc/50/18/98/515501898.db2.gz SCTKWFZXRRDJRK-INIZCTEOSA-N 1 3 373.497 2.925 20 0 FFADHO CCOc1cc2nccc(N3CCC[N@H+]([C@@H](C)CO)CC3)c2cc1OCC ZINC000468748523 515501909 /nfs/dbraw/zinc/50/19/09/515501909.db2.gz SCTKWFZXRRDJRK-INIZCTEOSA-N 1 3 373.497 2.925 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000473277314 515560205 /nfs/dbraw/zinc/56/02/05/515560205.db2.gz NDFYQJWDGLFWEM-FQEVSTJZSA-N 1 3 360.546 2.929 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(-n2cccc2)c1 ZINC000505732780 515648985 /nfs/dbraw/zinc/64/89/85/515648985.db2.gz YPSMQPOUHAYHNK-OAQYLSRUSA-N 1 3 368.525 2.965 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(-n2cccc2)c1 ZINC000505732780 515648992 /nfs/dbraw/zinc/64/89/92/515648992.db2.gz YPSMQPOUHAYHNK-OAQYLSRUSA-N 1 3 368.525 2.965 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000493809178 515665465 /nfs/dbraw/zinc/66/54/65/515665465.db2.gz LDYHUTNWQXWVCL-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000493809178 515665473 /nfs/dbraw/zinc/66/54/73/515665473.db2.gz LDYHUTNWQXWVCL-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO CCc1ccccc1OCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000505838789 515691791 /nfs/dbraw/zinc/69/17/91/515691791.db2.gz MASNDXMGYRXRDL-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CCc1ccccc1OCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000505838789 515691800 /nfs/dbraw/zinc/69/18/00/515691800.db2.gz MASNDXMGYRXRDL-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000482544124 515714682 /nfs/dbraw/zinc/71/46/82/515714682.db2.gz RERLLLSWRQPGNC-DZGCQCFKSA-N 1 3 373.419 2.823 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000511228398 515836301 /nfs/dbraw/zinc/83/63/01/515836301.db2.gz NCJPZJDIAXGOEC-ROUUACIJSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000511228398 515836313 /nfs/dbraw/zinc/83/63/13/515836313.db2.gz NCJPZJDIAXGOEC-ROUUACIJSA-N 1 3 350.551 2.765 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[C@@H]21 ZINC000454926460 515839528 /nfs/dbraw/zinc/83/95/28/515839528.db2.gz PULXNVVCYXWULM-AABGKKOBSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[C@@H]21 ZINC000454926460 515839534 /nfs/dbraw/zinc/83/95/34/515839534.db2.gz PULXNVVCYXWULM-AABGKKOBSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1=CCN(C)CC1 ZINC000511283874 515851698 /nfs/dbraw/zinc/85/16/98/515851698.db2.gz BTEVOUHBVGYBHK-YLJYHZDGSA-N 1 3 362.562 2.981 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1=CCN(C)CC1 ZINC000511283874 515851705 /nfs/dbraw/zinc/85/17/05/515851705.db2.gz BTEVOUHBVGYBHK-YLJYHZDGSA-N 1 3 362.562 2.981 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000455123157 515976442 /nfs/dbraw/zinc/97/64/42/515976442.db2.gz ZAJPBFOTNMHXKL-FQEVSTJZSA-N 1 3 358.530 2.826 20 0 FFADHO CCCCCC(=O)NC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000501164772 516004172 /nfs/dbraw/zinc/00/41/72/516004172.db2.gz SZCROWGWJXNBQK-UHFFFAOYSA-N 1 3 366.594 2.563 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000469907222 516025727 /nfs/dbraw/zinc/02/57/27/516025727.db2.gz MPISYTUYUWMPJT-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000465006536 516040397 /nfs/dbraw/zinc/04/03/97/516040397.db2.gz GQNXOCUBTDDJLR-GPJFCIFZSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000465006536 516040405 /nfs/dbraw/zinc/04/04/05/516040405.db2.gz GQNXOCUBTDDJLR-GPJFCIFZSA-N 1 3 364.578 2.870 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000460138797 516043423 /nfs/dbraw/zinc/04/34/23/516043423.db2.gz YGSIDRIZTNOVDO-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000460138797 516043434 /nfs/dbraw/zinc/04/34/34/516043434.db2.gz YGSIDRIZTNOVDO-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO CC(C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[NH+]1CCC(C)CC1 ZINC000457697322 516077748 /nfs/dbraw/zinc/07/77/48/516077748.db2.gz XUGSTWZITFLMTI-CTNGQTDRSA-N 1 3 364.578 2.870 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)Cc1ccccc1 ZINC000501393288 516089073 /nfs/dbraw/zinc/08/90/73/516089073.db2.gz YODQPRFUPZNHII-NHCUHLMSSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000488046984 516095612 /nfs/dbraw/zinc/09/56/12/516095612.db2.gz WBMUOSQRMYEKOA-ICSRJNTNSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@H+](C2CCC2)C1 ZINC000488046984 516095618 /nfs/dbraw/zinc/09/56/18/516095618.db2.gz WBMUOSQRMYEKOA-ICSRJNTNSA-N 1 3 372.557 2.675 20 0 FFADHO [NH3+]C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479194927 516100210 /nfs/dbraw/zinc/10/02/10/516100210.db2.gz YSIAHODMLKZIEY-UXHICEINSA-N 1 3 355.457 2.649 20 0 FFADHO CCN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000479201892 516107385 /nfs/dbraw/zinc/10/73/85/516107385.db2.gz NHNNEMPTJUFJSB-NVXWUHKLSA-N 1 3 372.538 2.942 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000479222811 516114983 /nfs/dbraw/zinc/11/49/83/516114983.db2.gz XLDZXIFCAFEHOF-XPGWFJOJSA-N 1 3 355.457 2.647 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000507200566 516121917 /nfs/dbraw/zinc/12/19/17/516121917.db2.gz DEJLSDXLQBIXRH-QZTJIDSGSA-N 1 3 365.468 2.600 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000479377666 516170318 /nfs/dbraw/zinc/17/03/18/516170318.db2.gz PFICGYSYBSLTTJ-KURKYZTESA-N 1 3 360.546 2.914 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000479398443 516179262 /nfs/dbraw/zinc/17/92/62/516179262.db2.gz XOLYPXGREMYHPI-IRXDYDNUSA-N 1 3 350.507 2.740 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H]1C ZINC000483702359 516179605 /nfs/dbraw/zinc/17/96/05/516179605.db2.gz PKUITVKZWPJBOP-HOJAQTOUSA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H]1C ZINC000483702359 516179613 /nfs/dbraw/zinc/17/96/13/516179613.db2.gz PKUITVKZWPJBOP-HOJAQTOUSA-N 1 3 360.546 2.674 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+]1CCCC[C@H]1C ZINC000465532887 516183123 /nfs/dbraw/zinc/18/31/23/516183123.db2.gz WFBVDFXIWMSGNB-MSOLQXFVSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+]1CCCC[C@H]1C ZINC000465532887 516183130 /nfs/dbraw/zinc/18/31/30/516183130.db2.gz WFBVDFXIWMSGNB-MSOLQXFVSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)C1 ZINC000488361503 516204799 /nfs/dbraw/zinc/20/47/99/516204799.db2.gz BIGNGMRUQHCUMN-BQFCYCMXSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000501736206 516207028 /nfs/dbraw/zinc/20/70/28/516207028.db2.gz GQDOCWJWWNRWSW-LJQANCHMSA-N 1 3 372.557 2.999 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000501736206 516207033 /nfs/dbraw/zinc/20/70/33/516207033.db2.gz GQDOCWJWWNRWSW-LJQANCHMSA-N 1 3 372.557 2.999 20 0 FFADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000488390927 516212453 /nfs/dbraw/zinc/21/24/53/516212453.db2.gz NVCUICXKPIAEMU-QGZVFWFLSA-N 1 3 363.521 2.927 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000501755363 516215882 /nfs/dbraw/zinc/21/58/82/516215882.db2.gz KVGOUWVIHUGNIL-SVFBPWRDSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000501755363 516215891 /nfs/dbraw/zinc/21/58/91/516215891.db2.gz KVGOUWVIHUGNIL-SVFBPWRDSA-N 1 3 374.573 2.827 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC000470364201 516220400 /nfs/dbraw/zinc/22/04/00/516220400.db2.gz RZQZILBVLNDMQB-UHFFFAOYSA-N 1 3 364.493 2.680 20 0 FFADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCC1 ZINC000501780891 516222104 /nfs/dbraw/zinc/22/21/04/516222104.db2.gz IGBFJFWTYPYIQI-IBGZPJMESA-N 1 3 358.530 2.997 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)CNC2)Cc1ccccc1 ZINC000470372183 516226361 /nfs/dbraw/zinc/22/63/61/516226361.db2.gz DKWOKSQWHDSCHS-OAQYLSRUSA-N 1 3 351.494 2.973 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000465681286 516228952 /nfs/dbraw/zinc/22/89/52/516228952.db2.gz AOHVIWQXOJAVNZ-VQIMIIECSA-N 1 3 358.530 2.605 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000465681286 516228962 /nfs/dbraw/zinc/22/89/62/516228962.db2.gz AOHVIWQXOJAVNZ-VQIMIIECSA-N 1 3 358.530 2.605 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000501819659 516234663 /nfs/dbraw/zinc/23/46/63/516234663.db2.gz ROSOXJRHTMBUMV-UHFFFAOYSA-N 1 3 359.518 2.539 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000501819659 516234669 /nfs/dbraw/zinc/23/46/69/516234669.db2.gz ROSOXJRHTMBUMV-UHFFFAOYSA-N 1 3 359.518 2.539 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000465767200 516252928 /nfs/dbraw/zinc/25/29/28/516252928.db2.gz YXJZKJORHDCDLG-FFGOWVMKSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000465767200 516252943 /nfs/dbraw/zinc/25/29/43/516252943.db2.gz YXJZKJORHDCDLG-FFGOWVMKSA-N 1 3 356.514 2.700 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000501937337 516269419 /nfs/dbraw/zinc/26/94/19/516269419.db2.gz HOWFATIMGCEMHN-QUCCMNQESA-N 1 3 356.514 2.601 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000501937337 516269424 /nfs/dbraw/zinc/26/94/24/516269424.db2.gz HOWFATIMGCEMHN-QUCCMNQESA-N 1 3 356.514 2.601 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)CCC2 ZINC000512429022 516275529 /nfs/dbraw/zinc/27/55/29/516275529.db2.gz BJGLOJMMBNZNOW-OAQYLSRUSA-N 1 3 357.542 2.592 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)CCC2 ZINC000512429022 516275536 /nfs/dbraw/zinc/27/55/36/516275536.db2.gz BJGLOJMMBNZNOW-OAQYLSRUSA-N 1 3 357.542 2.592 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCc2ccccc21 ZINC000465873546 516277217 /nfs/dbraw/zinc/27/72/17/516277217.db2.gz JQHIWDRVPVGKSX-UXHICEINSA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCc2ccccc21 ZINC000465873546 516277220 /nfs/dbraw/zinc/27/72/20/516277220.db2.gz JQHIWDRVPVGKSX-UXHICEINSA-N 1 3 372.557 2.774 20 0 FFADHO CC(C)N1CCN(CCCN(C)C(C)(C)C[NH+]2CCCCCC2)CC1 ZINC000501976113 516278030 /nfs/dbraw/zinc/27/80/30/516278030.db2.gz LDCOQVVINKECBI-UHFFFAOYSA-N 1 3 352.611 2.989 20 0 FFADHO CC[C@@H]1C[C@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CCO1 ZINC000507817262 516307475 /nfs/dbraw/zinc/30/74/75/516307475.db2.gz XMWCAVZXTJVUKZ-FGZHOGPDSA-N 1 3 359.558 2.941 20 0 FFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000484164889 516307602 /nfs/dbraw/zinc/30/76/02/516307602.db2.gz NOMIJICTOKUVRQ-MRXNPFEDSA-N 1 3 362.518 2.668 20 0 FFADHO COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000484165072 516308268 /nfs/dbraw/zinc/30/82/68/516308268.db2.gz DPCGZPSCNBPECM-SJLPKXTDSA-N 1 3 350.478 2.907 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497491102 516323900 /nfs/dbraw/zinc/32/39/00/516323900.db2.gz QDPIPHJUBVIASD-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497491102 516323901 /nfs/dbraw/zinc/32/39/01/516323901.db2.gz QDPIPHJUBVIASD-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000522852299 516332459 /nfs/dbraw/zinc/33/24/59/516332459.db2.gz SQYGLKYSNPOFQO-CTNGQTDRSA-N 1 3 357.542 2.932 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000522852299 516332470 /nfs/dbraw/zinc/33/24/70/516332470.db2.gz SQYGLKYSNPOFQO-CTNGQTDRSA-N 1 3 357.542 2.932 20 0 FFADHO CN1CC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)[C@@H]1c1ccccc1 ZINC000557662450 516366338 /nfs/dbraw/zinc/36/63/38/516366338.db2.gz DHAIZOFQELJRIN-AABGKKOBSA-N 1 3 373.566 2.766 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000531246375 516370790 /nfs/dbraw/zinc/37/07/90/516370790.db2.gz RASYQBUIYZGPHX-JLAWEPINSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000531246375 516370800 /nfs/dbraw/zinc/37/08/00/516370800.db2.gz RASYQBUIYZGPHX-JLAWEPINSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000523189019 516405701 /nfs/dbraw/zinc/40/57/01/516405701.db2.gz NQEIDKIKZFPURW-INIZCTEOSA-N 1 3 366.575 2.990 20 0 FFADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)c1 ZINC000517763127 516443998 /nfs/dbraw/zinc/44/39/98/516443998.db2.gz ICNWPJPLWKZTPW-FQEVSTJZSA-N 1 3 373.522 2.563 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000554481181 516456214 /nfs/dbraw/zinc/45/62/14/516456214.db2.gz LXCHCRGHKDITCT-XLIONFOSSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000550885001 516468909 /nfs/dbraw/zinc/46/89/09/516468909.db2.gz AXIHOOCLCMOZQX-DZGCQCFKSA-N 1 3 372.351 2.955 20 0 FFADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3cncnc3)cc2)C[C@@H]1C ZINC000540323059 516511725 /nfs/dbraw/zinc/51/17/25/516511725.db2.gz ABQWZMALMWXQRF-ROUUACIJSA-N 1 3 354.498 2.776 20 0 FFADHO CCN(CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000523626860 516525567 /nfs/dbraw/zinc/52/55/67/516525567.db2.gz VOIYUJGFSNGISV-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CCN(CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC000523626860 516525577 /nfs/dbraw/zinc/52/55/77/516525577.db2.gz VOIYUJGFSNGISV-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[NH+]1CCC(N2CCN(CCCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000544072419 516567192 /nfs/dbraw/zinc/56/71/92/516567192.db2.gz WIMBKFYYHMWPJR-UHFFFAOYSA-N 1 3 367.578 2.989 20 0 FFADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccncc1OCCN(C)C)C2 ZINC000554742644 516613589 /nfs/dbraw/zinc/61/35/89/516613589.db2.gz TWHYENHQNDKIIY-GOSISDBHSA-N 1 3 355.482 2.678 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000558151962 516618570 /nfs/dbraw/zinc/61/85/70/516618570.db2.gz HFOWCZXBVIYWLJ-NRFANRHFSA-N 1 3 370.541 2.525 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000544180061 516628199 /nfs/dbraw/zinc/62/81/99/516628199.db2.gz ZSQNJOVBABSTTO-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000544180063 516628385 /nfs/dbraw/zinc/62/83/85/516628385.db2.gz ZSQNJOVBABSTTO-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000518371074 516632734 /nfs/dbraw/zinc/63/27/34/516632734.db2.gz MYCQQNQSYVALLI-NNMXDRDESA-N 1 3 371.525 2.796 20 0 FFADHO C[C@@H]1C[C@@H](CCNCc2cnc(N(C)C)nc2)C[N@@H+]1Cc1ccccc1 ZINC000513487277 516647746 /nfs/dbraw/zinc/64/77/46/516647746.db2.gz AOWUZHGJQZSANY-IEBWSBKVSA-N 1 3 353.514 2.933 20 0 FFADHO C[C@@H]1C[C@@H](CCNCc2cnc(N(C)C)nc2)C[N@H+]1Cc1ccccc1 ZINC000513487277 516647752 /nfs/dbraw/zinc/64/77/52/516647752.db2.gz AOWUZHGJQZSANY-IEBWSBKVSA-N 1 3 353.514 2.933 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000536170627 516661387 /nfs/dbraw/zinc/66/13/87/516661387.db2.gz XDOODBDAOLUUGI-IZBJGVDFSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000536170627 516661394 /nfs/dbraw/zinc/66/13/94/516661394.db2.gz XDOODBDAOLUUGI-IZBJGVDFSA-N 1 3 358.530 2.994 20 0 FFADHO Cc1cc([C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)ccc1F ZINC000536212327 516677588 /nfs/dbraw/zinc/67/75/88/516677588.db2.gz BEVIFLLQZYDUQU-IBGZPJMESA-N 1 3 364.509 2.720 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000558287835 516679990 /nfs/dbraw/zinc/67/99/90/516679990.db2.gz QMOPMPXNZONXNM-WMZOPIPTSA-N 1 3 360.502 2.718 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000561686138 516716097 /nfs/dbraw/zinc/71/60/97/516716097.db2.gz SYSGCILDFRRDEA-GSEOLPGOSA-N 1 3 356.514 2.700 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699206 516827721 /nfs/dbraw/zinc/82/77/21/516827721.db2.gz QZSAXZSPHDDIMO-XZOQPEGZSA-N 1 3 371.569 2.941 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699206 516827728 /nfs/dbraw/zinc/82/77/28/516827728.db2.gz QZSAXZSPHDDIMO-XZOQPEGZSA-N 1 3 371.569 2.941 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000514013784 516833151 /nfs/dbraw/zinc/83/31/51/516833151.db2.gz RFOBALCMNKUXMJ-HXUWFJFHSA-N 1 3 358.530 2.917 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000532212775 516859023 /nfs/dbraw/zinc/85/90/23/516859023.db2.gz NCBWCJMZQPROSU-LJQANCHMSA-N 1 3 353.514 2.589 20 0 FFADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCCN4CCOCC4)[C@H]3C2)cc1 ZINC000514100194 516861746 /nfs/dbraw/zinc/86/17/46/516861746.db2.gz UBFAFNFGAZYFBA-RJGXRXQPSA-N 1 3 371.569 2.989 20 0 FFADHO CO[C@H](CN(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514118952 516871302 /nfs/dbraw/zinc/87/13/02/516871302.db2.gz PCOSMZBHFTWKEB-LJQANCHMSA-N 1 3 353.938 2.985 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000541117341 516885365 /nfs/dbraw/zinc/88/53/65/516885365.db2.gz DLHDCXYFBNKHDU-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000514202031 516902479 /nfs/dbraw/zinc/90/24/79/516902479.db2.gz QLPZBOBWFGFFDU-HBFSDRIKSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000514202031 516902485 /nfs/dbraw/zinc/90/24/85/516902485.db2.gz QLPZBOBWFGFFDU-HBFSDRIKSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483924 517012361 /nfs/dbraw/zinc/01/23/61/517012361.db2.gz BCZLEXMCONWAOS-MJGOQNOKSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483924 517012369 /nfs/dbraw/zinc/01/23/69/517012369.db2.gz BCZLEXMCONWAOS-MJGOQNOKSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483924 517012377 /nfs/dbraw/zinc/01/23/77/517012377.db2.gz BCZLEXMCONWAOS-MJGOQNOKSA-N 1 3 352.482 2.910 20 0 FFADHO CC(C)Oc1ccccc1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525420421 517036024 /nfs/dbraw/zinc/03/60/24/517036024.db2.gz XWAWWCWYZVKWRI-KRWDZBQOSA-N 1 3 364.534 2.670 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000562348211 517047461 /nfs/dbraw/zinc/04/74/61/517047461.db2.gz PZENBPHHHYNOPV-PMACEKPBSA-N 1 3 360.546 2.848 20 0 FFADHO COCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000552042642 517047981 /nfs/dbraw/zinc/04/79/81/517047981.db2.gz RUENSSUGBRBYTQ-MYDTUXCISA-N 1 3 371.569 2.988 20 0 FFADHO Cc1cc(C)n(CCN(C)[C@H]2CCC[N@H+](CCn3nc(C)cc3C)CC2)n1 ZINC000559066483 517066103 /nfs/dbraw/zinc/06/61/03/517066103.db2.gz BRFFZJQJESCPOO-NRFANRHFSA-N 1 3 372.561 2.800 20 0 FFADHO Cc1cc(C)n(CCN(C)[C@H]2CCC[N@@H+](CCn3nc(C)cc3C)CC2)n1 ZINC000559066483 517066108 /nfs/dbraw/zinc/06/61/08/517066108.db2.gz BRFFZJQJESCPOO-NRFANRHFSA-N 1 3 372.561 2.800 20 0 FFADHO CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000545190684 517094853 /nfs/dbraw/zinc/09/48/53/517094853.db2.gz CLYSUHPOKJIEGF-FQEVSTJZSA-N 1 3 360.546 2.874 20 0 FFADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000529353657 517097090 /nfs/dbraw/zinc/09/70/90/517097090.db2.gz ZCNISSSHKSRLJD-FPOVZHCZSA-N 1 3 368.525 2.579 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@H](C(C)C)N2CCC(C)CC2)CC1 ZINC000545205777 517104951 /nfs/dbraw/zinc/10/49/51/517104951.db2.gz BIOPADDKGISGRA-HXUWFJFHSA-N 1 3 367.578 2.750 20 0 FFADHO O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000552196037 517134676 /nfs/dbraw/zinc/13/46/76/517134676.db2.gz OLHVMVGDDKQHOL-NRFANRHFSA-N 1 3 359.489 3.000 20 0 FFADHO c1ccc(CN2C[C@H](C[NH2+]C[C@@H]3CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559327209 517184996 /nfs/dbraw/zinc/18/49/96/517184996.db2.gz WTAUOAIWCALZNR-SFTDATJTSA-N 1 3 358.526 2.931 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000515100791 517211145 /nfs/dbraw/zinc/21/11/45/517211145.db2.gz KHCYAZMSGJVNHY-NSHGMRRFSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000515100791 517211154 /nfs/dbraw/zinc/21/11/54/517211154.db2.gz KHCYAZMSGJVNHY-NSHGMRRFSA-N 1 3 360.546 2.925 20 0 FFADHO C[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)N(C)Cc1ccccc1 ZINC000541840327 517244400 /nfs/dbraw/zinc/24/44/00/517244400.db2.gz NNWIHFIRSPZEMH-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)CC1 ZINC000556060566 517249988 /nfs/dbraw/zinc/24/99/88/517249988.db2.gz IMNIUNRMBAZSLS-OAQYLSRUSA-N 1 3 351.494 2.527 20 0 FFADHO CN(CCC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccncc1 ZINC000541857071 517254970 /nfs/dbraw/zinc/25/49/70/517254970.db2.gz CAMAYDAAYSXGGG-UHFFFAOYSA-N 1 3 352.482 2.820 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000533046957 517267949 /nfs/dbraw/zinc/26/79/49/517267949.db2.gz MQYBRQAFTXFNTO-RTWAWAEBSA-N 1 3 372.557 2.920 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000533046957 517267954 /nfs/dbraw/zinc/26/79/54/517267954.db2.gz MQYBRQAFTXFNTO-RTWAWAEBSA-N 1 3 372.557 2.920 20 0 FFADHO O=C(CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Nc1ccccn1 ZINC000541881799 517272265 /nfs/dbraw/zinc/27/22/65/517272265.db2.gz ZJBWHSFNSXKHLK-VAMGGRTRSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Nc1ccccn1 ZINC000541881799 517272276 /nfs/dbraw/zinc/27/22/76/517272276.db2.gz ZJBWHSFNSXKHLK-VAMGGRTRSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Nc1ccccn1 ZINC000541881799 517272285 /nfs/dbraw/zinc/27/22/85/517272285.db2.gz ZJBWHSFNSXKHLK-VAMGGRTRSA-N 1 3 364.493 2.910 20 0 FFADHO CC[C@H](C)Oc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000520328474 517347682 /nfs/dbraw/zinc/34/76/82/517347682.db2.gz JTUDBGILZRYCIY-INIZCTEOSA-N 1 3 350.507 2.821 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000562764105 517376860 /nfs/dbraw/zinc/37/68/60/517376860.db2.gz BWBWEFDLWDDLOQ-AWEZNQCLSA-N 1 3 366.893 2.768 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000559766785 517419240 /nfs/dbraw/zinc/41/92/40/517419240.db2.gz KXZNVQKUQXMIIW-KSEOMHKRSA-N 1 3 359.558 2.722 20 0 FFADHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CCCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000559766785 517419250 /nfs/dbraw/zinc/41/92/50/517419250.db2.gz KXZNVQKUQXMIIW-KSEOMHKRSA-N 1 3 359.558 2.722 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000562811216 517424819 /nfs/dbraw/zinc/42/48/19/517424819.db2.gz VOLIRGNXYCYXTG-UWJYYQICSA-N 1 3 358.530 2.901 20 0 FFADHO Cc1cc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)ccc1F ZINC000553284312 517623589 /nfs/dbraw/zinc/62/35/89/517623589.db2.gz SMJREKPDJPQUHS-NRFANRHFSA-N 1 3 359.489 2.918 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000516242592 517633301 /nfs/dbraw/zinc/63/33/01/517633301.db2.gz QUQXDTOQNWPDOQ-RMJJICAUSA-N 1 3 360.546 2.955 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000516242592 517633310 /nfs/dbraw/zinc/63/33/10/517633310.db2.gz QUQXDTOQNWPDOQ-RMJJICAUSA-N 1 3 360.546 2.955 20 0 FFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243777 517651290 /nfs/dbraw/zinc/65/12/90/517651290.db2.gz YRUHDZQYKJJNOC-LEWJYISDSA-N 1 3 373.541 2.687 20 0 FFADHO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563150051 517693164 /nfs/dbraw/zinc/69/31/64/517693164.db2.gz WZNVCOKDINCOJL-MCIONIFRSA-N 1 3 366.303 2.708 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000542714863 517700232 /nfs/dbraw/zinc/70/02/32/517700232.db2.gz ACLYZPPRQODDFI-KSZLIROESA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000542714863 517700244 /nfs/dbraw/zinc/70/02/44/517700244.db2.gz ACLYZPPRQODDFI-KSZLIROESA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000549807891 517719316 /nfs/dbraw/zinc/71/93/16/517719316.db2.gz PYTKXDCIYFBWES-WIYYLYMNSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000549807891 517719319 /nfs/dbraw/zinc/71/93/19/517719319.db2.gz PYTKXDCIYFBWES-WIYYLYMNSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000553462925 517726039 /nfs/dbraw/zinc/72/60/39/517726039.db2.gz VCZPRKKODOLOGY-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563209653 517738227 /nfs/dbraw/zinc/73/82/27/517738227.db2.gz WFUCGIBBUPYEEA-UNMCSNQZSA-N 1 3 363.505 2.983 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563209653 517738237 /nfs/dbraw/zinc/73/82/37/517738237.db2.gz WFUCGIBBUPYEEA-UNMCSNQZSA-N 1 3 363.505 2.983 20 0 FFADHO c1ccc(CN2C[C@@H](C[NH2+]CC[C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000556936722 517758555 /nfs/dbraw/zinc/75/85/55/517758555.db2.gz QDADQJZMEOQCIB-LEWJYISDSA-N 1 3 358.526 2.931 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000516684746 517808348 /nfs/dbraw/zinc/80/83/48/517808348.db2.gz SWZOTOLBFUFHLR-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000516684746 517808356 /nfs/dbraw/zinc/80/83/56/517808356.db2.gz SWZOTOLBFUFHLR-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO CSc1ccccc1C[C@@H](C)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000560547385 517887527 /nfs/dbraw/zinc/88/75/27/517887527.db2.gz UOVOYKQZCSKHLP-QGZVFWFLSA-N 1 3 363.571 2.921 20 0 FFADHO CN1CCO[C@H]([C@H](NC[C@@H]2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000516964436 517948530 /nfs/dbraw/zinc/94/85/30/517948530.db2.gz NOIHIUACYMJVSB-GRGSLBFTSA-N 1 3 351.922 2.819 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000563544416 517973974 /nfs/dbraw/zinc/97/39/74/517973974.db2.gz MVEMTCDBTHUALE-PZJWPPBQSA-N 1 3 358.530 2.512 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000563561380 517985487 /nfs/dbraw/zinc/98/54/87/517985487.db2.gz HSORTRRHNHGAPF-AQNXPRMDSA-N 1 3 358.530 2.858 20 0 FFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000517028397 517986027 /nfs/dbraw/zinc/98/60/27/517986027.db2.gz DWJHZVGEEIGPFA-UYAOXDASSA-N 1 3 359.514 2.685 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000517111427 518028951 /nfs/dbraw/zinc/02/89/51/518028951.db2.gz SEDNIJDYXNATFK-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000517111427 518028959 /nfs/dbraw/zinc/02/89/59/518028959.db2.gz SEDNIJDYXNATFK-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000528014703 518043939 /nfs/dbraw/zinc/04/39/39/518043939.db2.gz RWROAAZYJLCLKX-QGZVFWFLSA-N 1 3 361.530 2.926 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000522288274 518067357 /nfs/dbraw/zinc/06/73/57/518067357.db2.gz VFUKKAYFWJMZFQ-SFHVURJKSA-N 1 3 356.514 2.964 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000522288274 518067367 /nfs/dbraw/zinc/06/73/67/518067367.db2.gz VFUKKAYFWJMZFQ-SFHVURJKSA-N 1 3 356.514 2.964 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)c(F)c1 ZINC000560897123 518080837 /nfs/dbraw/zinc/08/08/37/518080837.db2.gz ZJSMXMQQDHEAFK-HNNXBMFYSA-N 1 3 369.912 2.926 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000517273398 518103340 /nfs/dbraw/zinc/10/33/40/518103340.db2.gz NKQMKDQZCXMTDM-PXNSSMCTSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000517273398 518103350 /nfs/dbraw/zinc/10/33/50/518103350.db2.gz NKQMKDQZCXMTDM-PXNSSMCTSA-N 1 3 361.530 2.615 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000528288221 518165370 /nfs/dbraw/zinc/16/53/70/518165370.db2.gz MACSHSAYXBNRKH-HKUYNNGSSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000528288221 518165374 /nfs/dbraw/zinc/16/53/74/518165374.db2.gz MACSHSAYXBNRKH-HKUYNNGSSA-N 1 3 350.551 2.671 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000566799232 518211131 /nfs/dbraw/zinc/21/11/31/518211131.db2.gz CJHCMLWQSPTXHU-IBGZPJMESA-N 1 3 356.514 2.536 20 0 FFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000563916857 518228359 /nfs/dbraw/zinc/22/83/59/518228359.db2.gz WHPGJGGGAKEIMT-UXHICEINSA-N 1 3 358.530 2.626 20 0 FFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000563916857 518228363 /nfs/dbraw/zinc/22/83/63/518228363.db2.gz WHPGJGGGAKEIMT-UXHICEINSA-N 1 3 358.530 2.626 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000584234428 518241286 /nfs/dbraw/zinc/24/12/86/518241286.db2.gz BNMDBUHFCGVBHX-AWEZNQCLSA-N 1 3 364.449 2.958 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000575779491 518278492 /nfs/dbraw/zinc/27/84/92/518278492.db2.gz IWIAMCQZHGOPLD-YZGWKJHDSA-N 1 3 358.530 2.838 20 0 FFADHO CCOc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000572631772 518286177 /nfs/dbraw/zinc/28/61/77/518286177.db2.gz GJOUMAQUYKBQSO-IBGZPJMESA-N 1 3 362.514 2.822 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000569879509 518335722 /nfs/dbraw/zinc/33/57/22/518335722.db2.gz OSXNJBHITFPXEL-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccco1 ZINC000575920722 518343674 /nfs/dbraw/zinc/34/36/74/518343674.db2.gz LGKYFLDAEFHFSL-ZYSHUDEJSA-N 1 3 370.497 2.977 20 0 FFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000576054184 518406930 /nfs/dbraw/zinc/40/69/30/518406930.db2.gz SYOARQIRRNUQTA-AEFFLSMTSA-N 1 3 350.551 2.526 20 0 FFADHO N[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000564465037 518463376 /nfs/dbraw/zinc/46/33/76/518463376.db2.gz CFHHVXYNBXCAHI-FGTMMUONSA-N 1 3 355.869 2.560 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1=CCN(C)CC1 ZINC000584775769 518472169 /nfs/dbraw/zinc/47/21/69/518472169.db2.gz WODUQHQGHYDPJL-GXTWGEPZSA-N 1 3 359.297 2.973 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@](C)(O)C(F)(F)F)CC2)c1 ZINC000570201794 518493572 /nfs/dbraw/zinc/49/35/72/518493572.db2.gz IEQXMUCGRHLLCE-SFHVURJKSA-N 1 3 373.463 2.800 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N2CCCC2)cc1 ZINC000584829421 518497827 /nfs/dbraw/zinc/49/78/27/518497827.db2.gz VOKDLKXQLDXRDK-LJQANCHMSA-N 1 3 358.530 2.821 20 0 FFADHO CCN1CCC([NH+]2CCC(C(=O)Nc3ccccc3CN(C)C)CC2)CC1 ZINC000573217792 518561268 /nfs/dbraw/zinc/56/12/68/518561268.db2.gz QKXAXKMZPQVGIJ-UHFFFAOYSA-N 1 3 372.557 2.883 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000573245274 518573892 /nfs/dbraw/zinc/57/38/92/518573892.db2.gz UTCSDMPMBWJZMR-SJORKVTESA-N 1 3 371.447 2.984 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000576407339 518577753 /nfs/dbraw/zinc/57/77/53/518577753.db2.gz RSYIDOMIJFEBFI-PKOBYXMFSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](NCCC(=O)Nc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576407339 518577759 /nfs/dbraw/zinc/57/77/59/518577759.db2.gz RSYIDOMIJFEBFI-PKOBYXMFSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](NCCC(=O)Nc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576407339 518577761 /nfs/dbraw/zinc/57/77/61/518577761.db2.gz RSYIDOMIJFEBFI-PKOBYXMFSA-N 1 3 352.482 2.910 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(CC)(CC)OC)CC2)CC1 ZINC000564737430 518591239 /nfs/dbraw/zinc/59/12/39/518591239.db2.gz HMLYYAAINKMASD-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2C[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC000576457396 518601853 /nfs/dbraw/zinc/60/18/53/518601853.db2.gz HMMZZHDJLFHJBT-NRFANRHFSA-N 1 3 364.493 2.762 20 0 FFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000576465707 518605727 /nfs/dbraw/zinc/60/57/27/518605727.db2.gz JWPCXIUEGCOEBC-UNMCSNQZSA-N 1 3 370.585 2.799 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000582170805 518621524 /nfs/dbraw/zinc/62/15/24/518621524.db2.gz WHSIQJNYTRWQEV-HZPDHXFCSA-N 1 3 350.532 2.572 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC1(c2ccccc2Br)CCC1)C1CC1 ZINC000576697899 518717988 /nfs/dbraw/zinc/71/79/88/518717988.db2.gz NXBNVZDGDQAZOQ-HNNXBMFYSA-N 1 3 367.331 2.916 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccccc2Br)CCC1)C1CC1 ZINC000576697899 518717998 /nfs/dbraw/zinc/71/79/98/518717998.db2.gz NXBNVZDGDQAZOQ-HNNXBMFYSA-N 1 3 367.331 2.916 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000573580337 518737209 /nfs/dbraw/zinc/73/72/09/518737209.db2.gz VAGJWGRNPFUJNS-OXQOHEQNSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000573580337 518737215 /nfs/dbraw/zinc/73/72/15/518737215.db2.gz VAGJWGRNPFUJNS-OXQOHEQNSA-N 1 3 354.498 2.813 20 0 FFADHO C[NH+](C)CCc1ccc(CNC[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000576816731 518777343 /nfs/dbraw/zinc/77/73/43/518777343.db2.gz HGBMXGBOCLTAMS-LJQANCHMSA-N 1 3 367.493 2.802 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCCNC1 ZINC000573693945 518790550 /nfs/dbraw/zinc/79/05/50/518790550.db2.gz ZREXLCDUGACOHS-DOMZBBRYSA-N 1 3 354.292 2.898 20 0 FFADHO [NH3+][C@@H](CCC(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000570919924 518842804 /nfs/dbraw/zinc/84/28/04/518842804.db2.gz PZLDMFSVTYIRQQ-FQEVSTJZSA-N 1 3 352.482 2.894 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000565299004 518886831 /nfs/dbraw/zinc/88/68/31/518886831.db2.gz IKUYYVVOLFVMNN-OAHLLOKOSA-N 1 3 357.420 2.595 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000589212039 518953350 /nfs/dbraw/zinc/95/33/50/518953350.db2.gz GOTUOKPTOJPCSG-MISYRCLQSA-N 1 3 356.514 2.702 20 0 FFADHO CN(C)C[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000574080167 518977234 /nfs/dbraw/zinc/97/72/34/518977234.db2.gz ODOXYXQBYZBBOY-MOPGFXCFSA-N 1 3 357.885 2.946 20 0 FFADHO CN(C)C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000582914372 518984134 /nfs/dbraw/zinc/98/41/34/518984134.db2.gz GENOFPWOUMPYIX-FQEVSTJZSA-N 1 3 357.473 2.963 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000580070817 518993478 /nfs/dbraw/zinc/99/34/78/518993478.db2.gz AQBWRTARDAROIS-RLFYNMQTSA-N 1 3 350.507 2.503 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000582952323 519003985 /nfs/dbraw/zinc/00/39/85/519003985.db2.gz SGVHLJYWRULIOC-LEWJYISDSA-N 1 3 354.498 2.899 20 0 FFADHO C[N@@H+]1CC[C@@](O)(CN[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000580099055 519008191 /nfs/dbraw/zinc/00/81/91/519008191.db2.gz OOAYVXGDSHYXER-DLBZAZTESA-N 1 3 353.304 2.873 20 0 FFADHO C[N@H+]1CC[C@@](O)(CN[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000580099055 519008195 /nfs/dbraw/zinc/00/81/95/519008195.db2.gz OOAYVXGDSHYXER-DLBZAZTESA-N 1 3 353.304 2.873 20 0 FFADHO CCOc1ncc(C)cc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568530709 519087644 /nfs/dbraw/zinc/08/76/44/519087644.db2.gz TZSIKHVTQKTNCX-UHFFFAOYSA-N 1 3 374.529 2.924 20 0 FFADHO Cc1nc(-c2cccc(NC(=O)CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)cs1 ZINC000568635338 519141899 /nfs/dbraw/zinc/14/18/99/519141899.db2.gz XSTQKSBABGASBM-CALCHBBNSA-N 1 3 370.522 2.988 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCc3c2cccc3Cl)(N2CCOCC2)CC1 ZINC000571531236 519143115 /nfs/dbraw/zinc/14/31/15/519143115.db2.gz FDTKUYQZUNKHGD-LJQANCHMSA-N 1 3 363.933 2.714 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCN1Cc1ccccc1 ZINC000583252643 519152978 /nfs/dbraw/zinc/15/29/78/519152978.db2.gz MJRSUOSOWZWUFB-CBQOVEMMSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571624245 519187361 /nfs/dbraw/zinc/18/73/61/519187361.db2.gz LDDDWORHDNBQHY-CVEARBPZSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571624245 519187366 /nfs/dbraw/zinc/18/73/66/519187366.db2.gz LDDDWORHDNBQHY-CVEARBPZSA-N 1 3 372.513 2.943 20 0 FFADHO Cc1ccc([C@@H]2C[C@H]2NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000574515181 519191584 /nfs/dbraw/zinc/19/15/84/519191584.db2.gz BFUBIZOFZQRJQG-LEWJYISDSA-N 1 3 370.541 2.709 20 0 FFADHO C[C@]1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CCCCN1 ZINC000583379164 519218605 /nfs/dbraw/zinc/21/86/05/519218605.db2.gz JUGJGBQTOMXKFB-OAQYLSRUSA-N 1 3 372.513 2.972 20 0 FFADHO C[NH+](C)CC1(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CCC1 ZINC000571694874 519225677 /nfs/dbraw/zinc/22/56/77/519225677.db2.gz XHEQCWBELRJANB-KRWDZBQOSA-N 1 3 365.468 2.744 20 0 FFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCc1cnc(C2CC2)nc1 ZINC000568856481 519250673 /nfs/dbraw/zinc/25/06/73/519250673.db2.gz FXIAWXFMJSNNEJ-WIYYLYMNSA-N 1 3 350.466 2.742 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000568862052 519255078 /nfs/dbraw/zinc/25/50/78/519255078.db2.gz BDFAFDRFLYSQPY-PZJWPPBQSA-N 1 3 372.557 2.613 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000574666426 519269944 /nfs/dbraw/zinc/26/99/44/519269944.db2.gz HFEPROJRWFGZGW-JUSBFGHESA-N 1 3 356.514 2.509 20 0 FFADHO Cc1ncc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)n1-c1ccccc1 ZINC000577838984 519281068 /nfs/dbraw/zinc/28/10/68/519281068.db2.gz GPRSZAZAJCYERY-RXVVDRJESA-N 1 3 354.498 2.899 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000580668161 519293592 /nfs/dbraw/zinc/29/35/92/519293592.db2.gz XYWHWIJLQKIGAP-LLGFUMIMSA-N 1 3 370.541 2.795 20 0 FFADHO CCC1(C[NH2+]C[C@@H](C)S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000574750419 519313288 /nfs/dbraw/zinc/31/32/88/519313288.db2.gz RMVMSAFQWSLLKG-QGZVFWFLSA-N 1 3 352.544 2.702 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNCC(C)(C)C[NH+]3CCCC3)c2cc1C ZINC000566124291 519318508 /nfs/dbraw/zinc/31/85/08/519318508.db2.gz IBLVJJDDZDASFW-GOSISDBHSA-N 1 3 358.530 2.726 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]CC(C)(C)CN3CCCC3)c2cc1C ZINC000566124291 519318516 /nfs/dbraw/zinc/31/85/16/519318516.db2.gz IBLVJJDDZDASFW-GOSISDBHSA-N 1 3 358.530 2.726 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000580763253 519345616 /nfs/dbraw/zinc/34/56/16/519345616.db2.gz GLSQCWISJTUDSI-ILZDJORESA-N 1 3 358.530 2.511 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000583626689 519347863 /nfs/dbraw/zinc/34/78/63/519347863.db2.gz CBQLEAUHCFVHIL-CJNGLKHVSA-N 1 3 358.404 2.685 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574906205 519397685 /nfs/dbraw/zinc/39/76/85/519397685.db2.gz FCVZMSZBPFMJFB-GVDBMIGSSA-N 1 3 364.559 2.647 20 0 FFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000578064356 519399181 /nfs/dbraw/zinc/39/91/81/519399181.db2.gz AJYWGQAFVZRQFX-FDDCHVKYSA-N 1 3 368.521 2.898 20 0 FFADHO CC(C)C[C@H](CNC(=O)C[C@H]1CSCCN1)[NH2+][C@H](C)c1ccccc1 ZINC000572033491 519409531 /nfs/dbraw/zinc/40/95/31/519409531.db2.gz KAVJLSMNSZSTOX-QRQLOZEOSA-N 1 3 363.571 2.963 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCNCc1cccc(C[NH+]2CCCC2)c1 ZINC000572152940 519470307 /nfs/dbraw/zinc/47/03/07/519470307.db2.gz VSXPOOCWCRKTOA-UHFFFAOYSA-N 1 3 363.461 2.668 20 0 FFADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CNCc2ccccc21 ZINC000575056566 519477575 /nfs/dbraw/zinc/47/75/75/519477575.db2.gz GBZNICWBEQTVKW-FQEVSTJZSA-N 1 3 369.534 2.963 20 0 FFADHO CC(C)[NH+](CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C(C)C ZINC000583890604 519485353 /nfs/dbraw/zinc/48/53/53/519485353.db2.gz ZTZITFNEZZBPJA-SFHVURJKSA-N 1 3 352.498 2.846 20 0 FFADHO Cc1nsc(C)c1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000583942124 519511254 /nfs/dbraw/zinc/51/12/54/519511254.db2.gz AVOIMBMWVWCAIX-UHFFFAOYSA-N 1 3 366.575 2.676 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@]3(C)c3ccccc3)CC2)CC1 ZINC000608423684 519971564 /nfs/dbraw/zinc/97/15/64/519971564.db2.gz OOGPIXDZHQYRQX-IFMALSPDSA-N 1 3 370.541 2.574 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000594495233 520002450 /nfs/dbraw/zinc/00/24/50/520002450.db2.gz OLTVYLZJINSXCF-HRAATJIYSA-N 1 3 372.509 2.941 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000608642094 520060735 /nfs/dbraw/zinc/06/07/35/520060735.db2.gz QZHQELZAFKPTDU-AABGKKOBSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000608642094 520060741 /nfs/dbraw/zinc/06/07/41/520060741.db2.gz QZHQELZAFKPTDU-AABGKKOBSA-N 1 3 356.514 2.529 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000608648553 520063931 /nfs/dbraw/zinc/06/39/31/520063931.db2.gz WMRAUVVEUQIQQH-HLLBOEOZSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000608648553 520063939 /nfs/dbraw/zinc/06/39/39/520063939.db2.gz WMRAUVVEUQIQQH-HLLBOEOZSA-N 1 3 350.532 2.524 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000612906273 520213010 /nfs/dbraw/zinc/21/30/10/520213010.db2.gz CMPNQCKOKRGMDC-SFTDATJTSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000612906273 520213017 /nfs/dbraw/zinc/21/30/17/520213017.db2.gz CMPNQCKOKRGMDC-SFTDATJTSA-N 1 3 370.541 2.839 20 0 FFADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000594914451 520216110 /nfs/dbraw/zinc/21/61/10/520216110.db2.gz INAWJDUJVFUOLC-SESVDKBCSA-N 1 3 373.541 2.684 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000612970611 520248790 /nfs/dbraw/zinc/24/87/90/520248790.db2.gz KKALSYPRWZNPMP-OALUTQOASA-N 1 3 356.514 2.573 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3(CSC)CC3)CC2)CC1 ZINC000597988175 520363918 /nfs/dbraw/zinc/36/39/18/520363918.db2.gz SFBMOMYCRBYOGS-UHFFFAOYSA-N 1 3 367.603 2.832 20 0 FFADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000592493446 520415994 /nfs/dbraw/zinc/41/59/94/520415994.db2.gz RKEZCABOAJXNCZ-MSOLQXFVSA-N 1 3 372.513 2.663 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(CNC2CC([NH+]3CCCCC3)C2)CC1 ZINC000600733761 520433997 /nfs/dbraw/zinc/43/39/97/520433997.db2.gz CPOBRBCSYYNJDG-UHFFFAOYSA-N 1 3 366.546 2.856 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000604097226 520450366 /nfs/dbraw/zinc/45/03/66/520450366.db2.gz OMCPMGZSHNENIZ-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000604097226 520450372 /nfs/dbraw/zinc/45/03/72/520450372.db2.gz OMCPMGZSHNENIZ-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000617506537 520540796 /nfs/dbraw/zinc/54/07/96/520540796.db2.gz ROLHDTRDIDSZLV-GJZGRUSLSA-N 1 3 355.473 2.847 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000617506537 520540802 /nfs/dbraw/zinc/54/08/02/520540802.db2.gz ROLHDTRDIDSZLV-GJZGRUSLSA-N 1 3 355.473 2.847 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000617506024 520541032 /nfs/dbraw/zinc/54/10/32/520541032.db2.gz YFDVUZRBCGDVKR-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000617506024 520541039 /nfs/dbraw/zinc/54/10/39/520541039.db2.gz YFDVUZRBCGDVKR-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000604766749 520663637 /nfs/dbraw/zinc/66/36/37/520663637.db2.gz PFZGEEDYWRKCKB-LJQANCHMSA-N 1 3 367.493 2.802 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000601236835 520701434 /nfs/dbraw/zinc/70/14/34/520701434.db2.gz LADLJWUOIGUDAB-NRFANRHFSA-N 1 3 372.557 2.866 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000601270684 520717470 /nfs/dbraw/zinc/71/74/70/520717470.db2.gz ZVFZSNSNRUKDND-XUBOLADHSA-N 1 3 356.514 2.575 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000601270684 520717477 /nfs/dbraw/zinc/71/74/77/520717477.db2.gz ZVFZSNSNRUKDND-XUBOLADHSA-N 1 3 356.514 2.575 20 0 FFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614028783 520770336 /nfs/dbraw/zinc/77/03/36/520770336.db2.gz OYMVCLARNMLUGI-RTWAWAEBSA-N 1 3 355.526 2.999 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CSc4ccccc43)CC2)CC1 ZINC000605174007 520803600 /nfs/dbraw/zinc/80/36/00/520803600.db2.gz GZLMKTCOLLSVQW-GOSISDBHSA-N 1 3 374.554 2.691 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000595900716 520806096 /nfs/dbraw/zinc/80/60/96/520806096.db2.gz JARZUDBTKYTHOJ-GOSISDBHSA-N 1 3 372.513 2.663 20 0 FFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614343699 520917772 /nfs/dbraw/zinc/91/77/72/520917772.db2.gz YDTUYYDBPPUYLR-LEWJYISDSA-N 1 3 357.542 2.884 20 0 FFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614343699 520917776 /nfs/dbraw/zinc/91/77/76/520917776.db2.gz YDTUYYDBPPUYLR-LEWJYISDSA-N 1 3 357.542 2.884 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000593402164 520968675 /nfs/dbraw/zinc/96/86/75/520968675.db2.gz CTNBLANDBANXGZ-IBGZPJMESA-N 1 3 353.551 2.602 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601973625 521049253 /nfs/dbraw/zinc/04/92/53/521049253.db2.gz RXKBECIKDIFIMK-RHSMWYFYSA-N 1 3 361.486 2.558 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614661579 521077513 /nfs/dbraw/zinc/07/75/13/521077513.db2.gz RANQVFZMWXDWHI-CALCHBBNSA-N 1 3 352.482 2.756 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614661579 521077520 /nfs/dbraw/zinc/07/75/20/521077520.db2.gz RANQVFZMWXDWHI-CALCHBBNSA-N 1 3 352.482 2.756 20 0 FFADHO COC(=O)c1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)n1C ZINC000602017786 521081022 /nfs/dbraw/zinc/08/10/22/521081022.db2.gz VPLPRUNDVVHHKI-UHFFFAOYSA-N 1 3 371.481 2.575 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000606623667 521109260 /nfs/dbraw/zinc/10/92/60/521109260.db2.gz YFCQRWSBBAEMOA-WBVHZDCISA-N 1 3 364.559 2.915 20 0 FFADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000606642878 521119525 /nfs/dbraw/zinc/11/95/25/521119525.db2.gz DHTMNBQCNQFTOX-KRWDZBQOSA-N 1 3 372.557 2.853 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606701639 521143377 /nfs/dbraw/zinc/14/33/77/521143377.db2.gz HCBQLLUHJCSMKR-IBGZPJMESA-N 1 3 372.557 2.943 20 0 FFADHO CC[C@H](Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000602118066 521155169 /nfs/dbraw/zinc/15/51/69/521155169.db2.gz OCRXOSMFZBCKLK-LJQANCHMSA-N 1 3 357.542 2.930 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661223 521173447 /nfs/dbraw/zinc/17/34/47/521173447.db2.gz ORWIKNZJPYDZLW-GOSISDBHSA-N 1 3 363.546 2.545 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661223 521173454 /nfs/dbraw/zinc/17/34/54/521173454.db2.gz ORWIKNZJPYDZLW-GOSISDBHSA-N 1 3 363.546 2.545 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000594105720 521407122 /nfs/dbraw/zinc/40/71/22/521407122.db2.gz KMHAEXQYOFVOCX-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000594105720 521407132 /nfs/dbraw/zinc/40/71/32/521407132.db2.gz KMHAEXQYOFVOCX-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000594316895 521553460 /nfs/dbraw/zinc/55/34/60/521553460.db2.gz HSCXZADDJOYUGP-CEXWTWQISA-N 1 3 350.551 2.909 20 0 FFADHO Cc1cc(C)c(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c(C)n1 ZINC000631830378 521752283 /nfs/dbraw/zinc/75/22/83/521752283.db2.gz QKUKDZVRQRMJOZ-SFHVURJKSA-N 1 3 368.529 2.519 20 0 FFADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc(F)cc1 ZINC000625940978 521796730 /nfs/dbraw/zinc/79/67/30/521796730.db2.gz NXAMIBCEPQECAV-SFHVURJKSA-N 1 3 372.444 2.732 20 0 FFADHO CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccccc1 ZINC000625944568 521800104 /nfs/dbraw/zinc/80/01/04/521800104.db2.gz ZGADOQWEIUDXEM-GOSISDBHSA-N 1 3 354.454 2.593 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[NH2+][C@@H]2CCCS(=O)(=O)CC2)C1 ZINC000634953150 521831674 /nfs/dbraw/zinc/83/16/74/521831674.db2.gz SMRKFZBDFNYZGS-YLJYHZDGSA-N 1 3 364.555 2.975 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040668 521874447 /nfs/dbraw/zinc/87/44/47/521874447.db2.gz KDCFYPCNHPHMIF-LXZKKBNFSA-N 1 3 355.320 2.940 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040668 521874455 /nfs/dbraw/zinc/87/44/55/521874455.db2.gz KDCFYPCNHPHMIF-LXZKKBNFSA-N 1 3 355.320 2.940 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623488227 522060691 /nfs/dbraw/zinc/06/06/91/522060691.db2.gz MFQZBBBOHXZDAX-IBGZPJMESA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623488227 522060701 /nfs/dbraw/zinc/06/07/01/522060701.db2.gz MFQZBBBOHXZDAX-IBGZPJMESA-N 1 3 350.466 2.809 20 0 FFADHO CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000626286081 522077003 /nfs/dbraw/zinc/07/70/03/522077003.db2.gz OFMUKJIMNHETEU-MBDNFAEBSA-N 1 3 363.505 2.893 20 0 FFADHO CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000626286081 522077012 /nfs/dbraw/zinc/07/70/12/522077012.db2.gz OFMUKJIMNHETEU-MBDNFAEBSA-N 1 3 363.505 2.893 20 0 FFADHO CCC(F)(F)C(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000623564495 522123081 /nfs/dbraw/zinc/12/30/81/522123081.db2.gz FOUXXAWNXDAUFE-UHFFFAOYSA-N 1 3 374.520 2.916 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000623709917 522232370 /nfs/dbraw/zinc/23/23/70/522232370.db2.gz NJMAXWKRWDQRSN-LEWJYISDSA-N 1 3 351.494 2.710 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000623709917 522232376 /nfs/dbraw/zinc/23/23/76/522232376.db2.gz NJMAXWKRWDQRSN-LEWJYISDSA-N 1 3 351.494 2.710 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)C[NH+](CC)CC)N1CCc2ccccc2C1 ZINC000620550589 522290336 /nfs/dbraw/zinc/29/03/36/522290336.db2.gz RZWLDOXDWPRNIU-FXAWDEMLSA-N 1 3 360.546 2.853 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000620551078 522290449 /nfs/dbraw/zinc/29/04/49/522290449.db2.gz CLUIDTRQRKDTHD-INIZCTEOSA-N 1 3 350.507 2.616 20 0 FFADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629518858 522293580 /nfs/dbraw/zinc/29/35/80/522293580.db2.gz MJTQSQWKXUPVOM-IDHHARJASA-N 1 3 351.441 2.561 20 0 FFADHO C[C@@H]1CC[C@H](N[C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C[NH2+]1 ZINC000629541814 522300893 /nfs/dbraw/zinc/30/08/93/522300893.db2.gz WRFUVYAVVKCMHA-QZWWFDLISA-N 1 3 355.482 2.714 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCN(C)CC(F)F)CC1 ZINC000623831676 522313261 /nfs/dbraw/zinc/31/32/61/522313261.db2.gz RPXXNGCWRTXUBA-UHFFFAOYSA-N 1 3 354.489 2.505 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000623878224 522341456 /nfs/dbraw/zinc/34/14/56/522341456.db2.gz BWPPWEZHNPEATL-UWHLTILDSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000623878224 522341462 /nfs/dbraw/zinc/34/14/62/522341462.db2.gz BWPPWEZHNPEATL-UWHLTILDSA-N 1 3 370.541 2.681 20 0 FFADHO c1nc2c(s1)CCC[C@@H]2NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000623881395 522343506 /nfs/dbraw/zinc/34/35/06/522343506.db2.gz MJNYGSMLJMMDRV-KRWDZBQOSA-N 1 3 357.527 2.717 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)c2)CC1 ZINC000632934023 522405357 /nfs/dbraw/zinc/40/53/57/522405357.db2.gz PORZVWVRHGAIGH-SFHVURJKSA-N 1 3 373.545 2.728 20 0 FFADHO CC[C@H]1CN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[C@@H]1[NH3+] ZINC000633010634 522472336 /nfs/dbraw/zinc/47/23/36/522472336.db2.gz CWGWPEHIHKNHFK-OALUTQOASA-N 1 3 358.530 2.810 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c2cccs2)CC1 ZINC000626921999 522531782 /nfs/dbraw/zinc/53/17/82/522531782.db2.gz MDWQFTKMPHKLEF-GVDBMIGSSA-N 1 3 364.559 2.961 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(OCCN(C)C)cc1 ZINC000624194744 522535877 /nfs/dbraw/zinc/53/58/77/522535877.db2.gz OWTDSDKESVDKTG-DLVCFXQMSA-N 1 3 371.481 2.908 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)N2CCCC2)cc1 ZINC000626957356 522554790 /nfs/dbraw/zinc/55/47/90/522554790.db2.gz NWLIQRFFDWBLAI-ILWGZMRPSA-N 1 3 370.541 2.773 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627200713 522712494 /nfs/dbraw/zinc/71/24/94/522712494.db2.gz UALSCWXXTHUZQB-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)(CNC(=O)NC[C@@H]1CCN1C1CCCCC1)C[NH+]1CCCC1 ZINC000624545763 522764736 /nfs/dbraw/zinc/76/47/36/522764736.db2.gz SSTLEDOXVCXURF-SFHVURJKSA-N 1 3 350.551 2.815 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000621641725 522991307 /nfs/dbraw/zinc/99/13/07/522991307.db2.gz UKKWILGATDJGGI-PXNSSMCTSA-N 1 3 361.530 2.974 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC000621753565 523059682 /nfs/dbraw/zinc/05/96/82/523059682.db2.gz QQBXPVIBNOKGIP-PXNSSMCTSA-N 1 3 357.498 2.575 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C3CC3)[C@@H]2C1 ZINC000627836333 523146851 /nfs/dbraw/zinc/14/68/51/523146851.db2.gz MLCGBVGJGOOCSI-FNAHDJPLSA-N 1 3 367.537 2.697 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C3CC3)[C@@H]2C1 ZINC000627836333 523146858 /nfs/dbraw/zinc/14/68/58/523146858.db2.gz MLCGBVGJGOOCSI-FNAHDJPLSA-N 1 3 367.537 2.697 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)CC[N@@H+]1C ZINC000630847506 523184474 /nfs/dbraw/zinc/18/44/74/523184474.db2.gz IKSILRWMQMHCEM-LEWJYISDSA-N 1 3 373.541 2.754 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)CC[N@H+]1C ZINC000630847506 523184483 /nfs/dbraw/zinc/18/44/83/523184483.db2.gz IKSILRWMQMHCEM-LEWJYISDSA-N 1 3 373.541 2.754 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000625130781 523192849 /nfs/dbraw/zinc/19/28/49/523192849.db2.gz FGILNHHRVPQBES-UHFFFAOYSA-N 1 3 366.509 2.748 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000634260588 523282224 /nfs/dbraw/zinc/28/22/24/523282224.db2.gz UMCZPHLZGHCWPK-HOJAQTOUSA-N 1 3 358.530 2.823 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000631111637 523389863 /nfs/dbraw/zinc/38/98/63/523389863.db2.gz UQMJHSXYIDVEJX-NRFANRHFSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000631111637 523389870 /nfs/dbraw/zinc/38/98/70/523389870.db2.gz UQMJHSXYIDVEJX-NRFANRHFSA-N 1 3 353.466 2.501 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000628278108 523459062 /nfs/dbraw/zinc/45/90/62/523459062.db2.gz ZYVUEQSJASPWTI-UHFFFAOYSA-N 1 3 368.525 2.982 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000637485839 523661787 /nfs/dbraw/zinc/66/17/87/523661787.db2.gz KRIGKFUHIGEDNX-UXHICEINSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000637524740 523680047 /nfs/dbraw/zinc/68/00/47/523680047.db2.gz BFHODGGTDQQXOL-FQEVSTJZSA-N 1 3 367.497 2.737 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CCN1C ZINC000625801747 523698542 /nfs/dbraw/zinc/69/85/42/523698542.db2.gz KPQPLMKDNUTPJQ-LRGNLBRXSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CCN1C ZINC000625801747 523698550 /nfs/dbraw/zinc/69/85/50/523698550.db2.gz KPQPLMKDNUTPJQ-LRGNLBRXSA-N 1 3 355.526 2.744 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000625854735 523721305 /nfs/dbraw/zinc/72/13/05/523721305.db2.gz DFRDFHVIKRWYMS-GOSISDBHSA-N 1 3 374.554 2.684 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000669120050 568058183 /nfs/dbraw/zinc/05/81/83/568058183.db2.gz OEQQRZREHYAOSL-HLAWJBBLSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000669120050 568058184 /nfs/dbraw/zinc/05/81/84/568058184.db2.gz OEQQRZREHYAOSL-HLAWJBBLSA-N 1 3 357.542 2.740 20 0 FFADHO O=C(Nc1ccc(NC2=NCCN2)c(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000899046841 735437306 /nfs/dbraw/zinc/43/73/06/735437306.db2.gz DSHSPERLQUEFMP-UHFFFAOYSA-N 1 3 361.877 2.524 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899049753 735438744 /nfs/dbraw/zinc/43/87/44/735438744.db2.gz ZRXIQBVCOHDTBA-AWEZNQCLSA-N 1 3 363.893 2.914 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899049753 735438747 /nfs/dbraw/zinc/43/87/47/735438747.db2.gz ZRXIQBVCOHDTBA-AWEZNQCLSA-N 1 3 363.893 2.914 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899049754 735438775 /nfs/dbraw/zinc/43/87/75/735438775.db2.gz ZRXIQBVCOHDTBA-CQSZACIVSA-N 1 3 363.893 2.914 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899049754 735438778 /nfs/dbraw/zinc/43/87/78/735438778.db2.gz ZRXIQBVCOHDTBA-CQSZACIVSA-N 1 3 363.893 2.914 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=S)NC1CCN(C)CC1 ZINC000063144961 728134061 /nfs/dbraw/zinc/13/40/61/728134061.db2.gz KOJORSBARRADKO-UHFFFAOYSA-N 1 3 368.616 2.861 20 0 FFADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000121157965 728621413 /nfs/dbraw/zinc/62/14/13/728621413.db2.gz KPTQSNMKRSEMQJ-MRXNPFEDSA-N 1 3 367.559 2.852 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000122143589 728644395 /nfs/dbraw/zinc/64/43/95/728644395.db2.gz XPOJPLPEVKNWOY-HXUWFJFHSA-N 1 3 352.494 2.930 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000122143589 728644396 /nfs/dbraw/zinc/64/43/96/728644396.db2.gz XPOJPLPEVKNWOY-HXUWFJFHSA-N 1 3 352.494 2.930 20 0 FFADHO COCCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000130579727 728719714 /nfs/dbraw/zinc/71/97/14/728719714.db2.gz SRVGWBOYPKUUDS-UHFFFAOYSA-N 1 3 350.503 2.884 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000164054668 728964033 /nfs/dbraw/zinc/96/40/33/728964033.db2.gz TUBSGNNFNZKBCN-CAOSSQGBSA-N 1 3 355.523 2.819 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000164054668 728964037 /nfs/dbraw/zinc/96/40/37/728964037.db2.gz TUBSGNNFNZKBCN-CAOSSQGBSA-N 1 3 355.523 2.819 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000638802212 730045120 /nfs/dbraw/zinc/04/51/20/730045120.db2.gz LAMIAORTNOTXBW-HNNXBMFYSA-N 1 3 369.912 2.883 20 0 FFADHO CSC1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC[NH+](C)CC1 ZINC000908285751 736752921 /nfs/dbraw/zinc/75/29/21/736752921.db2.gz LPXJLKLUUBDKEV-UHFFFAOYSA-N 1 3 360.527 2.848 20 0 FFADHO CN(CCCNCc1nc2cc(Br)ccc2o1)CC[NH+](C)C ZINC000641775075 730251161 /nfs/dbraw/zinc/25/11/61/730251161.db2.gz KELDYHZYXQQWLL-UHFFFAOYSA-N 1 3 369.307 2.563 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924951376 738465206 /nfs/dbraw/zinc/46/52/06/738465206.db2.gz LUCKYAZOTHJQPK-MAUKXSAKSA-N 1 3 350.938 2.976 20 0 FFADHO C[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000857115058 730379168 /nfs/dbraw/zinc/37/91/68/730379168.db2.gz GTROQCBBNSFFKJ-ZDUSSCGKSA-N 1 3 360.424 2.516 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000644588692 730484942 /nfs/dbraw/zinc/48/49/42/730484942.db2.gz GMARKGRZEPGXMD-WMZOPIPTSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000644588692 730484943 /nfs/dbraw/zinc/48/49/43/730484943.db2.gz GMARKGRZEPGXMD-WMZOPIPTSA-N 1 3 354.922 2.785 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000647937289 730775750 /nfs/dbraw/zinc/77/57/50/730775750.db2.gz VDEHFUMERPCQBJ-SWLSCSKDSA-N 1 3 354.292 2.837 20 0 FFADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c2cccs2)CC1 ZINC000649278011 730873913 /nfs/dbraw/zinc/87/39/13/730873913.db2.gz CPTIHBLYSZAKBA-LSDHHAIUSA-N 1 3 371.497 2.882 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)CC(F)(F)F ZINC000865412590 730951629 /nfs/dbraw/zinc/95/16/29/730951629.db2.gz QUMIGOPGHKLYAA-QWHCGFSZSA-N 1 3 365.440 2.906 20 0 FFADHO C[NH+](C)C1(C)CCC(N[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000866516726 731069185 /nfs/dbraw/zinc/06/91/85/731069185.db2.gz TWSRLQARFGPAPN-HQVVEAJESA-N 1 3 354.491 2.897 20 0 FFADHO C[NH+](C)C1(C)CCC(N[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000866516725 731069316 /nfs/dbraw/zinc/06/93/16/731069316.db2.gz TWSRLQARFGPAPN-BFHRDPOASA-N 1 3 354.491 2.897 20 0 FFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346594 731185296 /nfs/dbraw/zinc/18/52/96/731185296.db2.gz AWDPNJCEXJQMJV-VJANTYMQSA-N 1 3 353.551 2.536 20 0 FFADHO CCN(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CCCCC1 ZINC000652360909 731187761 /nfs/dbraw/zinc/18/77/61/731187761.db2.gz TVPZHJZKGAXLEP-QRQLOZEOSA-N 1 3 351.535 2.528 20 0 FFADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925570682 738514778 /nfs/dbraw/zinc/51/47/78/738514778.db2.gz XHJNKRHNFFZMLJ-QZTJIDSGSA-N 1 3 367.559 2.510 20 0 FFADHO Brc1cnn(CCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925675119 738522090 /nfs/dbraw/zinc/52/20/90/738522090.db2.gz VTSTVJILNMUQPK-JKSUJKDBSA-N 1 3 355.324 2.794 20 0 FFADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CS1 ZINC000655730009 731502608 /nfs/dbraw/zinc/50/26/08/731502608.db2.gz KZEFMFOHUMHPTE-QFBILLFUSA-N 1 3 361.555 2.886 20 0 FFADHO CC(C)N1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000872222982 731741699 /nfs/dbraw/zinc/74/16/99/731741699.db2.gz KSDJBSFTJDIAHH-UHFFFAOYSA-N 1 3 356.507 2.700 20 0 FFADHO CC(C)[NH+]1CCC(CCNCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000872222982 731741701 /nfs/dbraw/zinc/74/17/01/731741701.db2.gz KSDJBSFTJDIAHH-UHFFFAOYSA-N 1 3 356.507 2.700 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925834285 738534447 /nfs/dbraw/zinc/53/44/47/738534447.db2.gz MHUOCKBVIZMYEN-GBESFXJTSA-N 1 3 364.555 2.923 20 0 FFADHO O=C1O[C@@H](CN[C@@H]2CCCOc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925852560 738537329 /nfs/dbraw/zinc/53/73/29/738537329.db2.gz OVUURNURUHIFHL-CZUORRHYSA-N 1 3 364.873 2.829 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000876958547 732303612 /nfs/dbraw/zinc/30/36/12/732303612.db2.gz HEBGWJQZJXWTRO-CQSZACIVSA-N 1 3 350.532 2.521 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000662399386 732310880 /nfs/dbraw/zinc/31/08/80/732310880.db2.gz RYSWKJUVHLEZEV-GJZGRUSLSA-N 1 3 360.376 2.719 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000662399388 732310999 /nfs/dbraw/zinc/31/09/99/732310999.db2.gz RYSWKJUVHLEZEV-LSDHHAIUSA-N 1 3 360.376 2.719 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000662699140 732347830 /nfs/dbraw/zinc/34/78/30/732347830.db2.gz XTKLLOXEIGDUAH-FVQBIDKESA-N 1 3 357.420 2.942 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc(Cl)n1 ZINC000877404143 732358409 /nfs/dbraw/zinc/35/84/09/732358409.db2.gz YJXYGYCZVZSLGP-CVEARBPZSA-N 1 3 364.921 2.862 20 0 FFADHO Cc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664185733 732548138 /nfs/dbraw/zinc/54/81/38/732548138.db2.gz TTYDHMLQVSDXJU-CABCVRRESA-N 1 3 354.564 2.559 20 0 FFADHO Cc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664185733 732548140 /nfs/dbraw/zinc/54/81/40/732548140.db2.gz TTYDHMLQVSDXJU-CABCVRRESA-N 1 3 354.564 2.559 20 0 FFADHO Cc1nc(C)c(Br)c(N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000664194620 732549639 /nfs/dbraw/zinc/54/96/39/732549639.db2.gz GNHUISFAUSCKGD-NSHDSACASA-N 1 3 358.328 2.540 20 0 FFADHO Cc1nc(C)c(Br)c(N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000664194620 732549640 /nfs/dbraw/zinc/54/96/40/732549640.db2.gz GNHUISFAUSCKGD-NSHDSACASA-N 1 3 358.328 2.540 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000665761971 732752875 /nfs/dbraw/zinc/75/28/75/732752875.db2.gz WFFWOFHNAQXXFZ-RRFJBIMHSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000665761971 732752879 /nfs/dbraw/zinc/75/28/79/732752879.db2.gz WFFWOFHNAQXXFZ-RRFJBIMHSA-N 1 3 366.472 2.631 20 0 FFADHO COc1ccc(C[C@H](C)C[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1F ZINC000668738743 733159265 /nfs/dbraw/zinc/15/92/65/733159265.db2.gz FTVUODSHPREZJB-YJBOKZPZSA-N 1 3 350.478 2.544 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC[C@@H]1[NH3+] ZINC000669279397 733207532 /nfs/dbraw/zinc/20/75/32/733207532.db2.gz DNQURYJRXYJMRW-HYVNUMGLSA-N 1 3 352.548 2.900 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000670106668 733306738 /nfs/dbraw/zinc/30/67/38/733306738.db2.gz OZMQRCWOVIPGMT-PBHICJAKSA-N 1 3 354.926 2.972 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCSC[C@@H]3C)CC2)CC1 ZINC000889926773 734244349 /nfs/dbraw/zinc/24/43/49/734244349.db2.gz IRJJEJFPFGKMIH-INIZCTEOSA-N 1 3 353.576 2.537 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=S)N1CCCN(Cc2ccccc2)CC1 ZINC000727073737 734463514 /nfs/dbraw/zinc/46/35/14/734463514.db2.gz QQFQHLTYWDDXBH-UHFFFAOYSA-N 1 3 362.587 2.657 20 0 FFADHO CN1CCC(NC(=S)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000728446700 734528013 /nfs/dbraw/zinc/52/80/13/734528013.db2.gz XSDCEMVWSFWRLH-QGZVFWFLSA-N 1 3 352.592 2.543 20 0 FFADHO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1(F)F ZINC000894422944 734855098 /nfs/dbraw/zinc/85/50/98/734855098.db2.gz LRSWQRRTCKCINY-HJWJTTGWSA-N 1 3 352.425 2.541 20 0 FFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902802161 735993600 /nfs/dbraw/zinc/99/36/00/735993600.db2.gz IXOLJOVVYNVHLT-HIFRSBDPSA-N 1 3 356.436 2.920 20 0 FFADHO CCSc1ccccc1CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903464338 736097526 /nfs/dbraw/zinc/09/75/26/736097526.db2.gz JIENAXZHTNYDNP-SJORKVTESA-N 1 3 361.511 2.556 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C[C@]2(C)C1 ZINC000933733573 739681074 /nfs/dbraw/zinc/68/10/74/739681074.db2.gz DWRRUQQQRCTELQ-VMGRFDJRSA-N 1 3 359.297 2.617 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C[C@]2(C)C1 ZINC000933733573 739681077 /nfs/dbraw/zinc/68/10/77/739681077.db2.gz DWRRUQQQRCTELQ-VMGRFDJRSA-N 1 3 359.297 2.617 20 0 FFADHO C[C@H](NC1CCN(CC[NH3+])CC1)c1cc(F)c(Br)cc1F ZINC000904379687 736247475 /nfs/dbraw/zinc/24/74/75/736247475.db2.gz BWKHFVNQVDQBGE-JTQLQIEISA-N 1 3 362.262 2.801 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cc(Cl)cc(Cl)c1F ZINC000904388728 736247882 /nfs/dbraw/zinc/24/78/82/736247882.db2.gz AHZRWXWIHCOJOH-QWRGUYRKSA-N 1 3 362.276 2.980 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922386903 738134812 /nfs/dbraw/zinc/13/48/12/738134812.db2.gz JXZIGKVUOLGGRV-RWQQGDIJSA-N 1 3 352.906 2.918 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922386903 738134815 /nfs/dbraw/zinc/13/48/15/738134815.db2.gz JXZIGKVUOLGGRV-RWQQGDIJSA-N 1 3 352.906 2.918 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC000931431873 739263530 /nfs/dbraw/zinc/26/35/30/739263530.db2.gz FCKACCJVEHZBBM-VNHYZAJKSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC000931431873 739263532 /nfs/dbraw/zinc/26/35/32/739263532.db2.gz FCKACCJVEHZBBM-VNHYZAJKSA-N 1 3 359.297 2.617 20 0 FFADHO C[NH+](C)CCCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000791780689 739602035 /nfs/dbraw/zinc/60/20/35/739602035.db2.gz YAUPNVWUKGXYBP-LBPRGKRZSA-N 1 3 359.253 2.841 20 0 FFADHO C[C@@H]1[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000806607617 741074378 /nfs/dbraw/zinc/07/43/78/741074378.db2.gz LNLQVLQLMGGXIC-AEFFLSMTSA-N 1 3 362.587 2.701 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000810645433 741436153 /nfs/dbraw/zinc/43/61/53/741436153.db2.gz AHBCBDKBTFFTDN-OXFYSEKESA-N 1 3 351.510 2.674 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000810645433 741436156 /nfs/dbraw/zinc/43/61/56/741436156.db2.gz AHBCBDKBTFFTDN-OXFYSEKESA-N 1 3 351.510 2.674 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(CCC(F)(F)F)CC3)CC[N@@H+]1C ZINC000990765748 741728130 /nfs/dbraw/zinc/72/81/30/741728130.db2.gz SYDYLZLKBMKTEY-IVSAIRAKSA-N 1 3 361.452 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(CCC(F)(F)F)CC3)CC[N@H+]1C ZINC000990765748 741728133 /nfs/dbraw/zinc/72/81/33/741728133.db2.gz SYDYLZLKBMKTEY-IVSAIRAKSA-N 1 3 361.452 2.782 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cc(Cl)ccc3F)C2)CC[N@@H+]1C ZINC000998796412 742046287 /nfs/dbraw/zinc/04/62/87/742046287.db2.gz NJTGWOVVUHIFDV-BOSFTKNMSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cc(Cl)ccc3F)C2)CC[N@H+]1C ZINC000998796412 742046291 /nfs/dbraw/zinc/04/62/91/742046291.db2.gz NJTGWOVVUHIFDV-BOSFTKNMSA-N 1 3 367.896 2.898 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1cc(F)ccc1F ZINC000818984241 742320735 /nfs/dbraw/zinc/32/07/35/742320735.db2.gz BMQRESOWWQTRRX-GOSISDBHSA-N 1 3 350.409 2.728 20 0 FFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001022104836 742643566 /nfs/dbraw/zinc/64/35/66/742643566.db2.gz FXVALZPFCHUFJM-QKNJOQAUSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001022104836 742643568 /nfs/dbraw/zinc/64/35/68/742643568.db2.gz FXVALZPFCHUFJM-QKNJOQAUSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC001022104711 742644081 /nfs/dbraw/zinc/64/40/81/742644081.db2.gz BCHIMEBSUVRWLB-BQDHKBFISA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC001022104711 742644082 /nfs/dbraw/zinc/64/40/82/742644082.db2.gz BCHIMEBSUVRWLB-BQDHKBFISA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCC(NCc3ccncc3Cl)CC2)CC[N@@H+]1C ZINC001026496518 742754198 /nfs/dbraw/zinc/75/41/98/742754198.db2.gz HJWCAUBLPMSJGR-LHUBUQBQSA-N 1 3 364.921 2.592 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCC(NCc3ccncc3Cl)CC2)CC[N@H+]1C ZINC001026496518 742754202 /nfs/dbraw/zinc/75/42/02/742754202.db2.gz HJWCAUBLPMSJGR-LHUBUQBQSA-N 1 3 364.921 2.592 20 0 FFADHO CC[C@@H](F)CN1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707769 743024394 /nfs/dbraw/zinc/02/43/94/743024394.db2.gz IEQCXORESWHHTI-FGTMMUONSA-N 1 3 353.526 2.779 20 0 FFADHO CC[C@@H](F)CN1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707769 743024404 /nfs/dbraw/zinc/02/44/04/743024404.db2.gz IEQCXORESWHHTI-FGTMMUONSA-N 1 3 353.526 2.779 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCC(F)(F)F)CC[N@@H+]1C ZINC001049481734 743465513 /nfs/dbraw/zinc/46/55/13/743465513.db2.gz JHDFHTGNBDIOMH-FZKCQIBNSA-N 1 3 361.452 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCC(F)(F)F)CC[N@H+]1C ZINC001049481734 743465515 /nfs/dbraw/zinc/46/55/15/743465515.db2.gz JHDFHTGNBDIOMH-FZKCQIBNSA-N 1 3 361.452 2.734 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc(Cl)n1 ZINC000828501930 745076013 /nfs/dbraw/zinc/07/60/13/745076013.db2.gz HYMAHAJKSMUHHU-IAGOWNOFSA-N 1 3 364.921 2.910 20 0 FFADHO C[C@H](NCCCCCC[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000843341546 747814407 /nfs/dbraw/zinc/81/44/07/747814407.db2.gz JIUPNWBCSNJHKP-JTQLQIEISA-N 1 3 368.330 2.811 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)ccc1OC ZINC000846193767 748427429 /nfs/dbraw/zinc/42/74/29/748427429.db2.gz OJCHFWNPYWYYCH-OXJNMPFZSA-N 1 3 350.503 2.729 20 0 FFADHO CCCCCC[C@H](C)NC(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846221729 748433451 /nfs/dbraw/zinc/43/34/51/748433451.db2.gz DJSPFKQVJKEFGQ-VJANTYMQSA-N 1 3 353.551 2.680 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@](C)(CO)OC)cc1CN1CCCCC1 ZINC000848559610 748960736 /nfs/dbraw/zinc/96/07/36/748960736.db2.gz SNTATMDMVDPHIL-OXQOHEQNSA-N 1 3 350.503 2.729 20 0 FFADHO COc1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000849276349 749084261 /nfs/dbraw/zinc/08/42/61/749084261.db2.gz IBZRJPALZYNDAE-ZDUSSCGKSA-N 1 3 372.966 2.907 20 0 FFADHO COc1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000849276349 749084267 /nfs/dbraw/zinc/08/42/67/749084267.db2.gz IBZRJPALZYNDAE-ZDUSSCGKSA-N 1 3 372.966 2.907 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc(Cl)n1 ZINC000851645844 749641240 /nfs/dbraw/zinc/64/12/40/749641240.db2.gz PTBMSRHKFDJTEP-DAXOMENPSA-N 1 3 352.910 2.799 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000852838332 749963421 /nfs/dbraw/zinc/96/34/21/749963421.db2.gz GRTASFUCQQGLLI-DOTOQJQBSA-N 1 3 364.921 2.672 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000852861374 749965862 /nfs/dbraw/zinc/96/58/62/749965862.db2.gz CZXIIDPWSJZEJT-ZBFHGGJFSA-N 1 3 352.910 2.670 20 0 FFADHO CN(C)C(=O)COc1ccccc1CN(C)CCCC[NH+]1CCCCC1 ZINC000895686045 970842201 /nfs/dbraw/zinc/84/22/01/970842201.db2.gz QSOVGSBCDOKJOC-UHFFFAOYSA-N 1 3 361.530 2.852 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(OC)c2)C1 ZINC001104810074 970873924 /nfs/dbraw/zinc/87/39/24/970873924.db2.gz ZXHPKQMWCHXVNE-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660005952 971106891 /nfs/dbraw/zinc/10/68/91/971106891.db2.gz HIGAGXXUKYYAMP-QGZVFWFLSA-N 1 3 362.566 2.947 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660005952 971106897 /nfs/dbraw/zinc/10/68/97/971106897.db2.gz HIGAGXXUKYYAMP-QGZVFWFLSA-N 1 3 362.566 2.947 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCc5ccccc54)CC[C@@H]3C2)CCC1 ZINC001087992871 971737707 /nfs/dbraw/zinc/73/77/07/971737707.db2.gz PVHFJFSRSJOMAM-SVFBPWRDSA-N 1 3 367.537 2.939 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCc5ccccc54)CC[C@@H]3C2)CCC1 ZINC001087992871 971737711 /nfs/dbraw/zinc/73/77/11/971737711.db2.gz PVHFJFSRSJOMAM-SVFBPWRDSA-N 1 3 367.537 2.939 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993520 971738818 /nfs/dbraw/zinc/73/88/18/971738818.db2.gz REUVMMCARFFHFV-QHAWAJNXSA-N 1 3 359.558 2.997 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993520 971738820 /nfs/dbraw/zinc/73/88/20/971738820.db2.gz REUVMMCARFFHFV-QHAWAJNXSA-N 1 3 359.558 2.997 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C2)cs1 ZINC001088002479 971791902 /nfs/dbraw/zinc/79/19/02/971791902.db2.gz HMEDHMBHFPYTDD-QYZOEREBSA-N 1 3 363.571 2.923 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C2)cs1 ZINC001088002479 971791904 /nfs/dbraw/zinc/79/19/04/971791904.db2.gz HMEDHMBHFPYTDD-QYZOEREBSA-N 1 3 363.571 2.923 20 0 FFADHO C[C@H](CNCc1nc(C(C)(C)C)cs1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267984816 971935313 /nfs/dbraw/zinc/93/53/13/971935313.db2.gz AXZHCHRNAJCDRV-RBSFLKMASA-N 1 3 366.575 2.623 20 0 FFADHO C[C@H](CNCc1nc(C(C)(C)C)cs1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267984816 971935317 /nfs/dbraw/zinc/93/53/17/971935317.db2.gz AXZHCHRNAJCDRV-RBSFLKMASA-N 1 3 366.575 2.623 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](CCC3CC3)C2)C1=O ZINC001275896544 1013158154 /nfs/dbraw/zinc/15/81/54/1013158154.db2.gz YTXIUGOGSFUZHN-RBBKRZOGSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](CCC3CC3)C2)C1=O ZINC001275896544 1013158160 /nfs/dbraw/zinc/15/81/60/1013158160.db2.gz YTXIUGOGSFUZHN-RBBKRZOGSA-N 1 3 355.526 2.666 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN(Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C1 ZINC001208612319 959491980 /nfs/dbraw/zinc/49/19/80/959491980.db2.gz MLWCZQFUZUUMBS-VAMGGRTRSA-N 1 3 357.498 2.814 20 0 FFADHO C[N@H+]1CCC[C@@H](CN(Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C1 ZINC001208612319 959491988 /nfs/dbraw/zinc/49/19/88/959491988.db2.gz MLWCZQFUZUUMBS-VAMGGRTRSA-N 1 3 357.498 2.814 20 0 FFADHO CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208679639 959564474 /nfs/dbraw/zinc/56/44/74/959564474.db2.gz WHPMQIWHKPIFPO-YADHBBJMSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208679639 959564490 /nfs/dbraw/zinc/56/44/90/959564490.db2.gz WHPMQIWHKPIFPO-YADHBBJMSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccccc2C2CC2)C1 ZINC000969698367 959774751 /nfs/dbraw/zinc/77/47/51/959774751.db2.gz CWGJYQZVXXJXQE-JXXFODFXSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccccc2C2CC2)C1 ZINC000969698367 959774759 /nfs/dbraw/zinc/77/47/59/959774759.db2.gz CWGJYQZVXXJXQE-JXXFODFXSA-N 1 3 355.526 2.841 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC000969706624 959787394 /nfs/dbraw/zinc/78/73/94/959787394.db2.gz MWYZFRKIILVYMH-PAXLWEDBSA-N 1 3 368.525 2.835 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC000969706624 959787410 /nfs/dbraw/zinc/78/74/10/959787410.db2.gz MWYZFRKIILVYMH-PAXLWEDBSA-N 1 3 368.525 2.835 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(CC(C)C)[nH]n3)CC2)CC1 ZINC000655391032 959840285 /nfs/dbraw/zinc/84/02/85/959840285.db2.gz XTTJPNHPYOCRCF-UHFFFAOYSA-N 1 3 361.534 2.743 20 0 FFADHO Cc1ccc([C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000655704745 961119283 /nfs/dbraw/zinc/11/92/83/961119283.db2.gz JZVUBMSMIJGKIF-WOJBJXKFSA-N 1 3 361.530 2.958 20 0 FFADHO Cc1ccc([C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000655704745 961119292 /nfs/dbraw/zinc/11/92/92/961119292.db2.gz JZVUBMSMIJGKIF-WOJBJXKFSA-N 1 3 361.530 2.958 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000960007750 1013302346 /nfs/dbraw/zinc/30/23/46/1013302346.db2.gz GTZLCENSDHRGMA-FHLIZLRMSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccc(F)cc2F)CC[N@H+]1C ZINC000960007750 1013302357 /nfs/dbraw/zinc/30/23/57/1013302357.db2.gz GTZLCENSDHRGMA-FHLIZLRMSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000960012468 1013303430 /nfs/dbraw/zinc/30/34/30/1013303430.db2.gz YASQWTFEZCQQSD-MDASCCDHSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC000960012468 1013303440 /nfs/dbraw/zinc/30/34/40/1013303440.db2.gz YASQWTFEZCQQSD-MDASCCDHSA-N 1 3 365.468 2.776 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc3cnccc3c2)cc1 ZINC000683772664 962169317 /nfs/dbraw/zinc/16/93/17/962169317.db2.gz RJRHVFVVJQKSFM-UHFFFAOYSA-N 1 3 362.477 2.816 20 0 FFADHO Cc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001104291812 962342952 /nfs/dbraw/zinc/34/29/52/962342952.db2.gz VYTVOYGWALACCP-DUXKGJEZSA-N 1 3 357.542 2.909 20 0 FFADHO O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000649373396 1013384658 /nfs/dbraw/zinc/38/46/58/1013384658.db2.gz YACLQSSXBMHYFD-MJGOQNOKSA-N 1 3 359.489 2.829 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001104319543 963269091 /nfs/dbraw/zinc/26/90/91/963269091.db2.gz ZDLYNBOEYJAVOU-POAQFYNOSA-N 1 3 363.521 2.986 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001104322709 963289547 /nfs/dbraw/zinc/28/95/47/963289547.db2.gz ZDQZTFABGPTQNK-POAQFYNOSA-N 1 3 363.521 2.986 20 0 FFADHO c1cc2n(n1)C[C@@H](CN1CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CN2 ZINC000684200595 963658061 /nfs/dbraw/zinc/65/80/61/963658061.db2.gz SMHBACAXNBERIE-NJYVYQBISA-N 1 3 365.525 2.911 20 0 FFADHO c1cc2n(n1)C[C@@H](CN1CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)CN2 ZINC000684200595 963658067 /nfs/dbraw/zinc/65/80/67/963658067.db2.gz SMHBACAXNBERIE-NJYVYQBISA-N 1 3 365.525 2.911 20 0 FFADHO c1cc2n(n1)C[C@H](CN1CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CN2 ZINC000684200593 963658293 /nfs/dbraw/zinc/65/82/93/963658293.db2.gz SMHBACAXNBERIE-HBMCJLEFSA-N 1 3 365.525 2.911 20 0 FFADHO c1cc2n(n1)C[C@H](CN1CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)CN2 ZINC000684200593 963658298 /nfs/dbraw/zinc/65/82/98/963658298.db2.gz SMHBACAXNBERIE-HBMCJLEFSA-N 1 3 365.525 2.911 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090169303 963960760 /nfs/dbraw/zinc/96/07/60/963960760.db2.gz XWZFFHTZTFTZRL-OAQYLSRUSA-N 1 3 358.574 2.657 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001104362859 964085329 /nfs/dbraw/zinc/08/53/29/964085329.db2.gz NLUYJKNQQMLIPR-NVXWUHKLSA-N 1 3 364.509 2.525 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3cccc(C(F)F)c3)C2)CC[N@@H+]1C ZINC000971564135 964177453 /nfs/dbraw/zinc/17/74/53/964177453.db2.gz UAQKVOKVQFWLHM-FHLIZLRMSA-N 1 3 365.468 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3cccc(C(F)F)c3)C2)CC[N@H+]1C ZINC000971564135 964177463 /nfs/dbraw/zinc/17/74/63/964177463.db2.gz UAQKVOKVQFWLHM-FHLIZLRMSA-N 1 3 365.468 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](N[C@@H]3CCc4c3c(F)ccc4F)C2)CC[N@@H+]1C ZINC001022105301 964304436 /nfs/dbraw/zinc/30/44/36/964304436.db2.gz YVBAKQSGQMCAMV-MSGZUBATSA-N 1 3 363.452 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](N[C@@H]3CCc4c3c(F)ccc4F)C2)CC[N@H+]1C ZINC001022105301 964304447 /nfs/dbraw/zinc/30/44/47/964304447.db2.gz YVBAKQSGQMCAMV-MSGZUBATSA-N 1 3 363.452 2.529 20 0 FFADHO CCc1[nH+]c2ccccc2c(N2CCN([C@@H]3CCNC(=O)CC3)CC2)c1C ZINC000649526016 1013488279 /nfs/dbraw/zinc/48/82/79/1013488279.db2.gz PHTGBBVEIPKFOW-KRWDZBQOSA-N 1 3 366.509 2.896 20 0 FFADHO CC[C@@H](F)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506914 964695137 /nfs/dbraw/zinc/69/51/37/964695137.db2.gz LPGDPCUROBMIDM-QKLQHJQFSA-N 1 3 353.526 2.827 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001087168586 964809791 /nfs/dbraw/zinc/80/97/91/964809791.db2.gz VQKCSOYPRPHIQZ-NYCLONFESA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001087168586 964809799 /nfs/dbraw/zinc/80/97/99/964809799.db2.gz VQKCSOYPRPHIQZ-NYCLONFESA-N 1 3 364.559 2.508 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000891892407 965344646 /nfs/dbraw/zinc/34/46/46/965344646.db2.gz IHKHPWRSYQZPQE-LJQANCHMSA-N 1 3 372.557 2.808 20 0 FFADHO CN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CCc1cccs1 ZINC001480914887 965846524 /nfs/dbraw/zinc/84/65/24/965846524.db2.gz FSGPCSIAUNWXBY-UXHICEINSA-N 1 3 371.550 2.684 20 0 FFADHO CN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CCc1cccs1 ZINC001480914887 965846538 /nfs/dbraw/zinc/84/65/38/965846538.db2.gz FSGPCSIAUNWXBY-UXHICEINSA-N 1 3 371.550 2.684 20 0 FFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657400372 966408451 /nfs/dbraw/zinc/40/84/51/966408451.db2.gz LHAFGFJEIUJFBT-BHIFYINESA-N 1 3 374.525 2.712 20 0 FFADHO C#CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000051761288 966645245 /nfs/dbraw/zinc/64/52/45/966645245.db2.gz DTMLRUSNNFQHQS-UHFFFAOYSA-N 1 3 360.546 2.523 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000650722389 967601218 /nfs/dbraw/zinc/60/12/18/967601218.db2.gz RRNPCXFJLNRZFL-NJYVYQBISA-N 1 3 354.498 2.792 20 0 FFADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211616073 968028711 /nfs/dbraw/zinc/02/87/11/968028711.db2.gz UUGRPCYQLRKZIS-NZSAHSFTSA-N 1 3 361.505 2.803 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1)[NH+](C)C ZINC001211620620 968121008 /nfs/dbraw/zinc/12/10/08/968121008.db2.gz XDDMDJQWVQPBSP-KMMGPNSYSA-N 1 3 363.933 2.909 20 0 FFADHO C[C@@H](NCc1ccc(CC(N)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000685656421 968374480 /nfs/dbraw/zinc/37/44/80/968374480.db2.gz SKUAOLHXPHLXIG-MRXNPFEDSA-N 1 3 355.482 2.506 20 0 FFADHO O=C1N(CCNC2CC[NH+](CCc3ccccc3)CC2)C[C@H]2CCCCN12 ZINC000658308048 968631278 /nfs/dbraw/zinc/63/12/78/968631278.db2.gz JUMIVXKBHXIBSH-OAQYLSRUSA-N 1 3 370.541 2.573 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)Cc1ccccc1 ZINC000874433428 1013836561 /nfs/dbraw/zinc/83/65/61/1013836561.db2.gz YEADNCYUIWNRCP-WIYYLYMNSA-N 1 3 360.546 2.566 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(OC)cc1 ZINC001087796862 969102442 /nfs/dbraw/zinc/10/24/42/969102442.db2.gz PHLHRIGLAFNLLB-YZGWKJHDSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(OC)cc1 ZINC001087796862 969102449 /nfs/dbraw/zinc/10/24/49/969102449.db2.gz PHLHRIGLAFNLLB-YZGWKJHDSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCc1ccccc1F ZINC001087796908 969103612 /nfs/dbraw/zinc/10/36/12/969103612.db2.gz QLEOJPWFUXJPSH-FFZOFVMBSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCc1ccccc1F ZINC001087796908 969103622 /nfs/dbraw/zinc/10/36/22/969103622.db2.gz QLEOJPWFUXJPSH-FFZOFVMBSA-N 1 3 361.505 2.679 20 0 FFADHO Cc1ccc(F)c(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001024967534 969423305 /nfs/dbraw/zinc/42/33/05/969423305.db2.gz UKXDVDKYSXNSPN-BHIYHBOVSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)c(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001024967534 969423310 /nfs/dbraw/zinc/42/33/10/969423310.db2.gz UKXDVDKYSXNSPN-BHIYHBOVSA-N 1 3 361.505 2.945 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659033468 969645190 /nfs/dbraw/zinc/64/51/90/969645190.db2.gz VTHZRKIGJGJRMW-HXUWFJFHSA-N 1 3 374.529 2.932 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659033468 969645194 /nfs/dbraw/zinc/64/51/94/969645194.db2.gz VTHZRKIGJGJRMW-HXUWFJFHSA-N 1 3 374.529 2.932 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C[NH+]1CCCCC1 ZINC000659031379 969646426 /nfs/dbraw/zinc/64/64/26/969646426.db2.gz NXEXXCQEPOETJP-QFBILLFUSA-N 1 3 360.502 2.591 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659036649 969648661 /nfs/dbraw/zinc/64/86/61/969648661.db2.gz SADSVEMYUBPRMQ-VQIMIIECSA-N 1 3 360.502 2.543 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659036649 969648664 /nfs/dbraw/zinc/64/86/64/969648664.db2.gz SADSVEMYUBPRMQ-VQIMIIECSA-N 1 3 360.502 2.543 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H]1C ZINC000659613092 970077478 /nfs/dbraw/zinc/07/74/78/970077478.db2.gz YFFINJCSCPLABH-CMKODMSKSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]1C ZINC000659613092 970077485 /nfs/dbraw/zinc/07/74/85/970077485.db2.gz YFFINJCSCPLABH-CMKODMSKSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001104676660 970086550 /nfs/dbraw/zinc/08/65/50/970086550.db2.gz SSGIHWHCFKBEOI-SFHLNBCPSA-N 1 3 357.542 2.788 20 0 FFADHO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001104731924 970193214 /nfs/dbraw/zinc/19/32/14/970193214.db2.gz FXEJOJDASOVOOJ-JFIYKMOQSA-N 1 3 370.497 2.796 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)cc2)CC1 ZINC001116036391 1032079990 /nfs/dbraw/zinc/07/99/90/1032079990.db2.gz VEVGFIQTSBZLME-WOJBJXKFSA-N 1 3 373.545 2.823 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106367 972809806 /nfs/dbraw/zinc/80/98/06/972809806.db2.gz XNLPXVBEOFLJFR-BWAGFHJFSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106367 972809822 /nfs/dbraw/zinc/80/98/22/972809822.db2.gz XNLPXVBEOFLJFR-BWAGFHJFSA-N 1 3 369.553 2.871 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1)N(C)C ZINC001112524650 972845936 /nfs/dbraw/zinc/84/59/36/972845936.db2.gz ZZJFPSICPHCWRT-NSHGMRRFSA-N 1 3 355.542 2.931 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc2cc[nH]c2c1 ZINC000875713149 1014066388 /nfs/dbraw/zinc/06/63/88/1014066388.db2.gz KLZYLPXVRVERMF-INIZCTEOSA-N 1 3 359.518 2.581 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc2cc[nH]c2c1 ZINC000875713149 1014066393 /nfs/dbraw/zinc/06/63/93/1014066393.db2.gz KLZYLPXVRVERMF-INIZCTEOSA-N 1 3 359.518 2.581 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088120971 972927783 /nfs/dbraw/zinc/92/77/83/972927783.db2.gz IEKJSCGGFADCDQ-MJGOQNOKSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088120971 972927792 /nfs/dbraw/zinc/92/77/92/972927792.db2.gz IEKJSCGGFADCDQ-MJGOQNOKSA-N 1 3 352.482 2.550 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088210953 973665644 /nfs/dbraw/zinc/66/56/44/973665644.db2.gz JOUKUSPEOVXOSV-HCDDMHPKSA-N 1 3 361.917 2.895 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088210954 973665680 /nfs/dbraw/zinc/66/56/80/973665680.db2.gz JOUKUSPEOVXOSV-HILPHFPESA-N 1 3 361.917 2.895 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000876109470 1014135119 /nfs/dbraw/zinc/13/51/19/1014135119.db2.gz MZAJXDRHXTZHRG-QPIRBTGLSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000665760060 974091801 /nfs/dbraw/zinc/09/18/01/974091801.db2.gz XWSMCBOPBADNHX-PKOBYXMFSA-N 1 3 363.550 2.534 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000665760060 974091803 /nfs/dbraw/zinc/09/18/03/974091803.db2.gz XWSMCBOPBADNHX-PKOBYXMFSA-N 1 3 363.550 2.534 20 0 FFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759741 974199036 /nfs/dbraw/zinc/19/90/36/974199036.db2.gz IFCGPACRZZAIGI-RMJOCGACSA-N 1 3 359.558 2.878 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655724647 974282948 /nfs/dbraw/zinc/28/29/48/974282948.db2.gz WGEOTNOOPPEVKO-VNHKHXMHSA-N 1 3 371.569 2.986 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000662866828 974425802 /nfs/dbraw/zinc/42/58/02/974425802.db2.gz JNJPLOFBLOFGQG-UXPWSPDFSA-N 1 3 359.514 2.521 20 0 FFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346330 974942436 /nfs/dbraw/zinc/94/24/36/974942436.db2.gz YYSUEKTXKDLUEN-LYSIVYOWSA-N 1 3 371.525 2.573 20 0 FFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361131 974993149 /nfs/dbraw/zinc/99/31/49/974993149.db2.gz YNZVNRLVPMOHCW-NJYVYQBISA-N 1 3 373.541 2.784 20 0 FFADHO Fc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662028673 975109506 /nfs/dbraw/zinc/10/95/06/975109506.db2.gz ACBAVNLYDDYCFY-QCFAMHMHSA-N 1 3 374.500 2.762 20 0 FFADHO Fc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662028673 975109513 /nfs/dbraw/zinc/10/95/13/975109513.db2.gz ACBAVNLYDDYCFY-QCFAMHMHSA-N 1 3 374.500 2.762 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000653194550 1014259946 /nfs/dbraw/zinc/25/99/46/1014259946.db2.gz MSXHVEMIXVBTQN-WFXMLNOXSA-N 1 3 359.489 2.625 20 0 FFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662598011 975734461 /nfs/dbraw/zinc/73/44/61/975734461.db2.gz NXTLRDAXNHTSHO-NHCUHLMSSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@@H]1CC[NH3+] ZINC000653240251 1014280912 /nfs/dbraw/zinc/28/09/12/1014280912.db2.gz LXSCHOCTNUZUHP-TZIWHRDSSA-N 1 3 372.557 2.565 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)[NH+](C)C ZINC000662634354 975766537 /nfs/dbraw/zinc/76/65/37/975766537.db2.gz RKHUUGCREDUUBC-UWJYYQICSA-N 1 3 369.509 2.592 20 0 FFADHO CC(C)OCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531519 975941413 /nfs/dbraw/zinc/94/14/13/975941413.db2.gz BCBIPUMRVASKBH-RXVVDRJESA-N 1 3 367.578 2.608 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C)c1 ZINC001088769025 976066241 /nfs/dbraw/zinc/06/62/41/976066241.db2.gz OIMAALUNRGWHAM-JRGCBEDISA-N 1 3 355.526 2.948 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)[C@H]2C)c1 ZINC001088769025 976066253 /nfs/dbraw/zinc/06/62/53/976066253.db2.gz OIMAALUNRGWHAM-JRGCBEDISA-N 1 3 355.526 2.948 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)[C@H]2C)c1 ZINC001088769025 976066271 /nfs/dbraw/zinc/06/62/71/976066271.db2.gz OIMAALUNRGWHAM-JRGCBEDISA-N 1 3 355.526 2.948 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001167841398 976512386 /nfs/dbraw/zinc/51/23/86/976512386.db2.gz MHDQUZLVDPVQKB-LJQANCHMSA-N 1 3 374.577 2.709 20 0 FFADHO COc1cccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@@H](N(C)C)C3)CC2)c1 ZINC001167857156 976907478 /nfs/dbraw/zinc/90/74/78/976907478.db2.gz LFPIQGDLENNHIX-RTBURBONSA-N 1 3 359.514 2.762 20 0 FFADHO COc1cccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)c1 ZINC000990759528 976931574 /nfs/dbraw/zinc/93/15/74/976931574.db2.gz CKBDYHUPAIIDOG-DEZRYOJYSA-N 1 3 371.525 2.649 20 0 FFADHO COc1cccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)c1 ZINC000990759528 976931583 /nfs/dbraw/zinc/93/15/83/976931583.db2.gz CKBDYHUPAIIDOG-DEZRYOJYSA-N 1 3 371.525 2.649 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000667792219 977035772 /nfs/dbraw/zinc/03/57/72/977035772.db2.gz QXGLCKLVYYOGBT-FQEVSTJZSA-N 1 3 367.497 2.932 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000667794069 977049431 /nfs/dbraw/zinc/04/94/31/977049431.db2.gz XHRNWDCDDPIMJS-UHFFFAOYSA-N 1 3 357.502 2.503 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000667803935 977074768 /nfs/dbraw/zinc/07/47/68/977074768.db2.gz SBDNVALNPJZLIU-IFXJQAMLSA-N 1 3 353.470 2.540 20 0 FFADHO Cn1ncc(CN)c1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000876734722 1014368748 /nfs/dbraw/zinc/36/87/48/1014368748.db2.gz JERWSMUVEWOUSL-UHFFFAOYSA-N 1 3 369.513 2.573 20 0 FFADHO Cn1ncc(CN)c1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000876734722 1014368761 /nfs/dbraw/zinc/36/87/61/1014368761.db2.gz JERWSMUVEWOUSL-UHFFFAOYSA-N 1 3 369.513 2.573 20 0 FFADHO N=C(NCCCC[NH3+])Nc1nc(Cl)nc2cc(C(F)(F)F)ccc21 ZINC001167878048 977169772 /nfs/dbraw/zinc/16/97/72/977169772.db2.gz NTDAMHCTKFQZDO-UHFFFAOYSA-N 1 3 360.771 2.977 20 0 FFADHO CCN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(C)C1 ZINC000663816318 977414718 /nfs/dbraw/zinc/41/47/18/977414718.db2.gz XDFYNTKNOQXFHT-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664127699 978051055 /nfs/dbraw/zinc/05/10/55/978051055.db2.gz WDFKNQAQGGFREW-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000664127699 978051062 /nfs/dbraw/zinc/05/10/62/978051062.db2.gz WDFKNQAQGGFREW-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO C[NH+]1CCC(CNCc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000877021443 1014452106 /nfs/dbraw/zinc/45/21/06/1014452106.db2.gz UCKUXRCPIODSDY-UHFFFAOYSA-N 1 3 366.506 2.866 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000760013230 978303272 /nfs/dbraw/zinc/30/32/72/978303272.db2.gz WWXMUJNRUIUUPW-IBGZPJMESA-N 1 3 373.545 2.777 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2cccc(F)c2F)C(C)C)CC[N@@H+]1C ZINC001482532146 979114925 /nfs/dbraw/zinc/11/49/25/979114925.db2.gz QHCZTHOPMYEUEY-RYQLBKOJSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2cccc(F)c2F)C(C)C)CC[N@H+]1C ZINC001482532146 979114931 /nfs/dbraw/zinc/11/49/31/979114931.db2.gz QHCZTHOPMYEUEY-RYQLBKOJSA-N 1 3 367.484 2.926 20 0 FFADHO O=C(N[C@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000877402357 1014573127 /nfs/dbraw/zinc/57/31/27/1014573127.db2.gz CKMBNOUUSYOSGJ-UXHICEINSA-N 1 3 370.541 2.722 20 0 FFADHO C[NH+](C)CCc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000668111701 979749881 /nfs/dbraw/zinc/74/98/81/979749881.db2.gz VDJNEIVARUZORE-HOTGVXAUSA-N 1 3 374.403 2.713 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000666184491 980430923 /nfs/dbraw/zinc/43/09/23/980430923.db2.gz DLSQDEMTOIAGEC-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000666184491 980430925 /nfs/dbraw/zinc/43/09/25/980430925.db2.gz DLSQDEMTOIAGEC-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)C1 ZINC000906339737 980631759 /nfs/dbraw/zinc/63/17/59/980631759.db2.gz DZSXPGQREAJSKJ-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)C1 ZINC000906339737 980631762 /nfs/dbraw/zinc/63/17/62/980631762.db2.gz DZSXPGQREAJSKJ-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1-c1ccccc1 ZINC000666406437 980841101 /nfs/dbraw/zinc/84/11/01/980841101.db2.gz WUDFRTWSBPCKOH-INIZCTEOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1-c1ccccc1 ZINC000666406437 980841111 /nfs/dbraw/zinc/84/11/11/980841111.db2.gz WUDFRTWSBPCKOH-INIZCTEOSA-N 1 3 372.517 2.574 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@@H+]4C)[C@@H]3C2)c1 ZINC001075906023 981276376 /nfs/dbraw/zinc/27/63/76/981276376.db2.gz FSTIAVCRGWAIGM-QKNQBKEWSA-N 1 3 371.525 2.602 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@H+]4C)[C@@H]3C2)c1 ZINC001075906023 981276379 /nfs/dbraw/zinc/27/63/79/981276379.db2.gz FSTIAVCRGWAIGM-QKNQBKEWSA-N 1 3 371.525 2.602 20 0 FFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H](c1cccs1)N1CCCC1 ZINC000668661221 981374890 /nfs/dbraw/zinc/37/48/90/981374890.db2.gz YKVURZKMNMLAKK-GOSISDBHSA-N 1 3 370.522 2.988 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000067671465 981554136 /nfs/dbraw/zinc/55/41/36/981554136.db2.gz NKMDZQXLUVFEME-LJQANCHMSA-N 1 3 368.525 2.776 20 0 FFADHO C[NH2+]Cc1ccccc1CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000650718366 1014748115 /nfs/dbraw/zinc/74/81/15/1014748115.db2.gz IOYJVFSABCNBIK-UHFFFAOYSA-N 1 3 364.449 2.857 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H](C)c2cccc(OC)c2)CC[N@@H+]1C ZINC001483010035 981978870 /nfs/dbraw/zinc/97/88/70/981978870.db2.gz YQLDIZZXMSOAJC-SPWBGCSASA-N 1 3 359.514 2.749 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H](C)c2cccc(OC)c2)CC[N@H+]1C ZINC001483010035 981978877 /nfs/dbraw/zinc/97/88/77/981978877.db2.gz YQLDIZZXMSOAJC-SPWBGCSASA-N 1 3 359.514 2.749 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659235 1014826493 /nfs/dbraw/zinc/82/64/93/1014826493.db2.gz DVOHQKJONWFJSH-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000654661327 1014826780 /nfs/dbraw/zinc/82/67/80/1014826780.db2.gz YLICEBFAPVUZBF-XLLSNORTSA-N 1 3 364.578 2.869 20 0 FFADHO CCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000654662506 1014828081 /nfs/dbraw/zinc/82/80/81/1014828081.db2.gz RFGXERUFNQDWPM-AQNXPRMDSA-N 1 3 358.530 2.633 20 0 FFADHO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000796443762 1014840027 /nfs/dbraw/zinc/84/00/27/1014840027.db2.gz LKJYUSZBMXSGEY-KNQAVFIVSA-N 1 3 370.493 2.820 20 0 FFADHO COC(=O)C1=C(C)O[C@@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000796443762 1014840041 /nfs/dbraw/zinc/84/00/41/1014840041.db2.gz LKJYUSZBMXSGEY-KNQAVFIVSA-N 1 3 370.493 2.820 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000651104669 1014983563 /nfs/dbraw/zinc/98/35/63/1014983563.db2.gz WMBRYLXDHWVMCR-WSTZPKSXSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000651104669 1014983566 /nfs/dbraw/zinc/98/35/66/1014983566.db2.gz WMBRYLXDHWVMCR-WSTZPKSXSA-N 1 3 371.525 2.716 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416927968 984076323 /nfs/dbraw/zinc/07/63/23/984076323.db2.gz UBKPWPNFLWYPIV-ZIFCJYIRSA-N 1 3 362.518 2.647 20 0 FFADHO C[C@@H](NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nc2ccccc2o1 ZINC000996605181 984432455 /nfs/dbraw/zinc/43/24/55/984432455.db2.gz BOGCXQJGTCPLTO-BFYDXBDKSA-N 1 3 370.497 2.810 20 0 FFADHO C[C@@H](NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1nc2ccccc2o1 ZINC000996605181 984432458 /nfs/dbraw/zinc/43/24/58/984432458.db2.gz BOGCXQJGTCPLTO-BFYDXBDKSA-N 1 3 370.497 2.810 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc2)CC1 ZINC000669402591 984532415 /nfs/dbraw/zinc/53/24/15/984532415.db2.gz LWCTXTLPRQGHGY-SESVDKBCSA-N 1 3 370.541 2.853 20 0 FFADHO Cc1ncccc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438786 984540166 /nfs/dbraw/zinc/54/01/66/984540166.db2.gz JAGPVQJFDCNCHE-KCZVDYSFSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1ncccc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438786 984540168 /nfs/dbraw/zinc/54/01/68/984540168.db2.gz JAGPVQJFDCNCHE-KCZVDYSFSA-N 1 3 370.541 2.591 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483950 984650410 /nfs/dbraw/zinc/65/04/10/984650410.db2.gz UPDZXLNXYYNYRA-DFQSSKMNSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H](C[C@H]1CCOC1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000765096208 984961472 /nfs/dbraw/zinc/96/14/72/984961472.db2.gz WKCPGLBBRRYABL-RBBKRZOGSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@H](CN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C[NH+]1CCCCC1 ZINC000765241607 985000034 /nfs/dbraw/zinc/00/00/34/985000034.db2.gz ZGLZGKWWBPBDOC-RZUBCFFCSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=S)NC3CCN(C)CC3)cc2)C1 ZINC000063148786 985737964 /nfs/dbraw/zinc/73/79/64/985737964.db2.gz ALVCDVAPJOJBGT-QGZVFWFLSA-N 1 3 374.598 2.977 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=S)NC3CCN(C)CC3)cc2)C1 ZINC000063148786 985737972 /nfs/dbraw/zinc/73/79/72/985737972.db2.gz ALVCDVAPJOJBGT-QGZVFWFLSA-N 1 3 374.598 2.977 20 0 FFADHO CC[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000063149086 985739288 /nfs/dbraw/zinc/73/92/88/985739288.db2.gz WHCBXQSXWDDMOZ-FQEVSTJZSA-N 1 3 374.598 2.990 20 0 FFADHO O=C1O[C@@H](CN2CCCN(c3cc[nH+]cc3)CC2)CN1c1ccccc1 ZINC000878743158 1015193421 /nfs/dbraw/zinc/19/34/21/1015193421.db2.gz ARPHYTZYTJSUTA-IBGZPJMESA-N 1 3 352.438 2.619 20 0 FFADHO COc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC000921670365 986156492 /nfs/dbraw/zinc/15/64/92/986156492.db2.gz JJRXNKAGVFCAMM-UHFFFAOYSA-N 1 3 355.482 2.585 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000878744106 1015194609 /nfs/dbraw/zinc/19/46/09/1015194609.db2.gz PBDWBPLASMOJKZ-QGZVFWFLSA-N 1 3 360.502 2.851 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000878744106 1015194614 /nfs/dbraw/zinc/19/46/14/1015194614.db2.gz PBDWBPLASMOJKZ-QGZVFWFLSA-N 1 3 360.502 2.851 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000913858979 986970889 /nfs/dbraw/zinc/97/08/89/986970889.db2.gz FSTRRXNVJOPJHF-SCCNAQOGSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC001106201093 987636718 /nfs/dbraw/zinc/63/67/18/987636718.db2.gz UGHYYKVUPNEGKR-MGPQQGTHSA-N 1 3 368.324 2.669 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651807950 1015369736 /nfs/dbraw/zinc/36/97/36/1015369736.db2.gz ZSIQEFULTNRYLK-UHFFFAOYSA-N 1 3 370.497 2.642 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1)N(C)C ZINC001106633558 988539226 /nfs/dbraw/zinc/53/92/26/988539226.db2.gz MPOJIGDYZDLVHK-BHIYHBOVSA-N 1 3 365.587 2.951 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC000922386648 988543347 /nfs/dbraw/zinc/54/33/47/988543347.db2.gz HTJRHXIBDXOFAQ-XCJLJZCSSA-N 1 3 354.498 2.646 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC000922386648 988543352 /nfs/dbraw/zinc/54/33/52/988543352.db2.gz HTJRHXIBDXOFAQ-XCJLJZCSSA-N 1 3 354.498 2.646 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(-c4ccccc4)c3)C2)[C@@H]1C(C)C ZINC000922392511 988552770 /nfs/dbraw/zinc/55/27/70/988552770.db2.gz MALHVIJKGNOLJO-CZYKHXBRSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(-c4ccccc4)c3)C2)[C@@H]1C(C)C ZINC000922392511 988552776 /nfs/dbraw/zinc/55/27/76/988552776.db2.gz MALHVIJKGNOLJO-CZYKHXBRSA-N 1 3 368.525 2.832 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1 ZINC001106665157 988608313 /nfs/dbraw/zinc/60/83/13/988608313.db2.gz JZOUZSFALPNTCD-XQBPLPMBSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001106673462 988618282 /nfs/dbraw/zinc/61/82/82/988618282.db2.gz ZPYVABSNZVTHTR-NVXWUHKLSA-N 1 3 351.560 2.910 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCc2cccc(F)c2)[C@H](C)C1)N(C)C ZINC001106673145 988623827 /nfs/dbraw/zinc/62/38/27/988623827.db2.gz FEKJFCGDLWYAHO-POAQFYNOSA-N 1 3 363.521 2.783 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001106673309 988624558 /nfs/dbraw/zinc/62/45/58/988624558.db2.gz VCQYNQHJKYFSRC-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(-c2nncnn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000652034808 1015447282 /nfs/dbraw/zinc/44/72/82/1015447282.db2.gz DKFBAITXLVKUOS-DYESRHJHSA-N 1 3 374.492 2.934 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC[N@@H+]1C ZINC000673774936 989245935 /nfs/dbraw/zinc/24/59/35/989245935.db2.gz FQJQBWFVZPGKOG-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)CC[N@H+]1C ZINC000673774936 989245940 /nfs/dbraw/zinc/24/59/40/989245940.db2.gz FQJQBWFVZPGKOG-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000673774521 989246125 /nfs/dbraw/zinc/24/61/25/989246125.db2.gz DRHNTYXSESFJKG-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000673774521 989246129 /nfs/dbraw/zinc/24/61/29/989246129.db2.gz DRHNTYXSESFJKG-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C)Cc1cc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1F ZINC000673864344 989337912 /nfs/dbraw/zinc/33/79/12/989337912.db2.gz KPYSPTLWNSSHPT-UHFFFAOYSA-N 1 3 368.416 2.790 20 0 FFADHO Cc1cc2ncn(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c2cc1C ZINC000763335050 989693248 /nfs/dbraw/zinc/69/32/48/989693248.db2.gz KSXJSBGVYAFLDA-QUCCMNQESA-N 1 3 355.530 2.568 20 0 FFADHO Cc1cc2ncn(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c2cc1C ZINC000763335050 989693252 /nfs/dbraw/zinc/69/32/52/989693252.db2.gz KSXJSBGVYAFLDA-QUCCMNQESA-N 1 3 355.530 2.568 20 0 FFADHO Cc1cc2ncn(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2cc1C ZINC000763335050 989693258 /nfs/dbraw/zinc/69/32/58/989693258.db2.gz KSXJSBGVYAFLDA-QUCCMNQESA-N 1 3 355.530 2.568 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000675120267 990060878 /nfs/dbraw/zinc/06/08/78/990060878.db2.gz WVSCSRDYNWGEQH-LVCYWYKZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000675120267 990060886 /nfs/dbraw/zinc/06/08/86/990060886.db2.gz WVSCSRDYNWGEQH-LVCYWYKZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000676647425 990628724 /nfs/dbraw/zinc/62/87/24/990628724.db2.gz AOMVMLQVMPGDKH-DLBZAZTESA-N 1 3 373.545 2.637 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN([C@H](C(=O)N1CCCCC1)c1ccccc1)CC2 ZINC000923456081 991151419 /nfs/dbraw/zinc/15/14/19/991151419.db2.gz WCDFLVUFOLSYRM-UXHICEINSA-N 1 3 371.525 2.570 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001484742379 991742251 /nfs/dbraw/zinc/74/22/51/991742251.db2.gz CXGOYSTXFFVLQG-VQTJNVASSA-N 1 3 360.546 2.709 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2ccc(C)nc2C)CC[N@H+]1C ZINC001484742379 991742264 /nfs/dbraw/zinc/74/22/64/991742264.db2.gz CXGOYSTXFFVLQG-VQTJNVASSA-N 1 3 360.546 2.709 20 0 FFADHO CC(C)=CCN1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008607399 1015679376 /nfs/dbraw/zinc/67/93/76/1015679376.db2.gz BAAODIHDURDPTR-HBMCJLEFSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008607399 1015679380 /nfs/dbraw/zinc/67/93/80/1015679380.db2.gz BAAODIHDURDPTR-HBMCJLEFSA-N 1 3 355.526 2.879 20 0 FFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1 ZINC001079730614 992369890 /nfs/dbraw/zinc/36/98/90/992369890.db2.gz DPYJVIOBRCVUSL-UMSONDCASA-N 1 3 357.542 2.916 20 0 FFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)c1 ZINC001079730614 992369896 /nfs/dbraw/zinc/36/98/96/992369896.db2.gz DPYJVIOBRCVUSL-UMSONDCASA-N 1 3 357.542 2.916 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOc3ccc(C)cc3)C[C@H]2C)CC[N@@H+]1C ZINC001079732208 992370517 /nfs/dbraw/zinc/37/05/17/992370517.db2.gz DOLNCPBCWODKQC-GFOJFJKKSA-N 1 3 373.541 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOc3ccc(C)cc3)C[C@H]2C)CC[N@H+]1C ZINC001079732208 992370520 /nfs/dbraw/zinc/37/05/20/992370520.db2.gz DOLNCPBCWODKQC-GFOJFJKKSA-N 1 3 373.541 2.541 20 0 FFADHO O=C(CN1CCCCC[C@@H]1CCO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000671248137 993229036 /nfs/dbraw/zinc/22/90/36/993229036.db2.gz MHXSVLGFTKBRBX-OAQYLSRUSA-N 1 3 373.541 2.526 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C ZINC001080756357 993339296 /nfs/dbraw/zinc/33/92/96/993339296.db2.gz QWGKNIJTSYUYBF-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C ZINC001080756357 993339302 /nfs/dbraw/zinc/33/93/02/993339302.db2.gz QWGKNIJTSYUYBF-RLLQIKCJSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnccc3N(C)C)C2)cc1F ZINC001080795540 993379881 /nfs/dbraw/zinc/37/98/81/993379881.db2.gz VOJYLBONRDBCMZ-DNVCBOLYSA-N 1 3 370.472 2.845 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnccc3N(C)C)C2)cc1F ZINC001080795540 993379887 /nfs/dbraw/zinc/37/98/87/993379887.db2.gz VOJYLBONRDBCMZ-DNVCBOLYSA-N 1 3 370.472 2.845 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000880258639 1015791531 /nfs/dbraw/zinc/79/15/31/1015791531.db2.gz BQINJEJBGFEVMV-MOPGFXCFSA-N 1 3 364.493 2.754 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1cc2ccccc2o1 ZINC001082515340 994797714 /nfs/dbraw/zinc/79/77/14/994797714.db2.gz JYNKJDLNUSNUHK-CDHQVMDDSA-N 1 3 367.493 2.711 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000810521047 994808339 /nfs/dbraw/zinc/80/83/39/994808339.db2.gz DGNUHNJWODAXMN-PLMTUMEDSA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000810521047 994808350 /nfs/dbraw/zinc/80/83/50/994808350.db2.gz DGNUHNJWODAXMN-PLMTUMEDSA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000810521044 994809370 /nfs/dbraw/zinc/80/93/70/994809370.db2.gz DGNUHNJWODAXMN-BLIXFSHQSA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000810521044 994809381 /nfs/dbraw/zinc/80/93/81/994809381.db2.gz DGNUHNJWODAXMN-BLIXFSHQSA-N 1 3 361.505 2.978 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)c(Cl)c1 ZINC001082520111 994809699 /nfs/dbraw/zinc/80/96/99/994809699.db2.gz ATQHNSPXLJPHSL-FXRXJOCMSA-N 1 3 363.933 2.925 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)c(Cl)c1 ZINC001082520111 994809706 /nfs/dbraw/zinc/80/97/06/994809706.db2.gz ATQHNSPXLJPHSL-FXRXJOCMSA-N 1 3 363.933 2.925 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810615994 994839114 /nfs/dbraw/zinc/83/91/14/994839114.db2.gz RRRWLCLUTMXSPL-HXUWFJFHSA-N 1 3 367.484 2.928 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1sccc1Cl ZINC001082559761 994934020 /nfs/dbraw/zinc/93/40/20/994934020.db2.gz OOLGBOZRJQVUJH-XFJVYGCCSA-N 1 3 355.935 2.678 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC2CC2)C1)N(C)C ZINC001082589055 995001289 /nfs/dbraw/zinc/00/12/89/995001289.db2.gz FOADJXQCGSCKAZ-ATZDWAIDSA-N 1 3 359.514 2.505 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001082719661 995349189 /nfs/dbraw/zinc/34/91/89/995349189.db2.gz AYGBMPOJKGWLSA-DNVCBOLYSA-N 1 3 363.933 2.927 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3OC3CC3)C2)C1 ZINC001082742437 995400118 /nfs/dbraw/zinc/40/01/18/995400118.db2.gz FQQYJDXCZSZESY-MBOZVWFJSA-N 1 3 371.525 2.506 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cc1 ZINC001082743699 995403240 /nfs/dbraw/zinc/40/32/40/995403240.db2.gz VXROBKNVFWXQRO-UYAOXDASSA-N 1 3 357.542 2.706 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782794 995489673 /nfs/dbraw/zinc/48/96/73/995489673.db2.gz QEEGDXWRYZJIDQ-QWFCFKBJSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782601 995490090 /nfs/dbraw/zinc/49/00/90/995490090.db2.gz HJQOLJDDRFGIEM-MISYRCLQSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001082808245 995553507 /nfs/dbraw/zinc/55/35/07/995553507.db2.gz CBUKUKHLROZENE-DYESRHJHSA-N 1 3 366.509 2.702 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nsc2C)C1 ZINC001082943302 995881937 /nfs/dbraw/zinc/88/19/37/995881937.db2.gz CUZCOUYCAQPIAO-FSPWUOQZSA-N 1 3 364.559 2.571 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903565046 1015984634 /nfs/dbraw/zinc/98/46/34/1015984634.db2.gz DKTMOMPILXMUIW-LNLFQRSKSA-N 1 3 371.550 2.742 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903565046 1015984637 /nfs/dbraw/zinc/98/46/37/1015984637.db2.gz DKTMOMPILXMUIW-LNLFQRSKSA-N 1 3 371.550 2.742 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001096540626 1016023400 /nfs/dbraw/zinc/02/34/00/1016023400.db2.gz XLJOVBNMXHFILN-QCFAMHMHSA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096540626 1016023410 /nfs/dbraw/zinc/02/34/10/1016023410.db2.gz XLJOVBNMXHFILN-QCFAMHMHSA-N 1 3 355.526 2.983 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422039 996520677 /nfs/dbraw/zinc/52/06/77/996520677.db2.gz JKINJEGMAXCFKG-NJDAHSKKSA-N 1 3 355.526 2.902 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422039 996520681 /nfs/dbraw/zinc/52/06/81/996520681.db2.gz JKINJEGMAXCFKG-NJDAHSKKSA-N 1 3 355.526 2.902 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084428983 996527955 /nfs/dbraw/zinc/52/79/55/996527955.db2.gz FTMFEDWNOJAPDA-NJYVYQBISA-N 1 3 357.542 2.868 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545356 996665691 /nfs/dbraw/zinc/66/56/91/996665691.db2.gz GXJSTSLUVABPLT-VSKRKVRLSA-N 1 3 367.537 2.902 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)C1 ZINC001084599196 996703858 /nfs/dbraw/zinc/70/38/58/996703858.db2.gz SZGNBSJBPUAEMN-KZNAEPCWSA-N 1 3 369.500 2.686 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)C1 ZINC001084599196 996703864 /nfs/dbraw/zinc/70/38/64/996703864.db2.gz SZGNBSJBPUAEMN-KZNAEPCWSA-N 1 3 369.500 2.686 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662327 996773584 /nfs/dbraw/zinc/77/35/84/996773584.db2.gz FQTSRLKROJLWDP-STZQEDGTSA-N 1 3 369.553 2.666 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662327 996773589 /nfs/dbraw/zinc/77/35/89/996773589.db2.gz FQTSRLKROJLWDP-STZQEDGTSA-N 1 3 369.553 2.666 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3CC[N@H+](CC4CCCC4)C[C@H]32)C1 ZINC001084663106 996795699 /nfs/dbraw/zinc/79/56/99/996795699.db2.gz MLARXKPOACPXIX-OPYAIIAOSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3CC[N@@H+](CC4CCCC4)C[C@H]32)C1 ZINC001084663106 996795708 /nfs/dbraw/zinc/79/57/08/996795708.db2.gz MLARXKPOACPXIX-OPYAIIAOSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)CC1 ZINC001084751978 997198254 /nfs/dbraw/zinc/19/82/54/997198254.db2.gz MMBRWGCWWMIFBT-NHCUHLMSSA-N 1 3 355.526 2.840 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001084775290 997305109 /nfs/dbraw/zinc/30/51/09/997305109.db2.gz ACQRDIGLNFYUOU-STZQEDGTSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001084775290 997305122 /nfs/dbraw/zinc/30/51/22/997305122.db2.gz ACQRDIGLNFYUOU-STZQEDGTSA-N 1 3 367.537 2.939 20 0 FFADHO O=C(N1C[C@H]2CCN(Cc3ccccc3C3CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778072 997315571 /nfs/dbraw/zinc/31/55/71/997315571.db2.gz DLBRKHZKZPPWLH-TZIWHRDSSA-N 1 3 365.521 2.693 20 0 FFADHO CCOc1cc(CN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)ccc1OC(F)F ZINC000903723987 1016155955 /nfs/dbraw/zinc/15/59/55/1016155955.db2.gz KKPUYGUHULWDGJ-HNAYVOBHSA-N 1 3 370.440 2.887 20 0 FFADHO CC(C)(C[NH3+])C1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000903789606 1016200667 /nfs/dbraw/zinc/20/06/67/1016200667.db2.gz ZQYNLGMYFSNAMR-UHFFFAOYSA-N 1 3 368.525 2.750 20 0 FFADHO CCN1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001144387145 998447609 /nfs/dbraw/zinc/44/76/09/998447609.db2.gz AKHVGLRMVFHJJX-FQEVSTJZSA-N 1 3 355.526 2.843 20 0 FFADHO CCN1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001144387145 998447622 /nfs/dbraw/zinc/44/76/22/998447622.db2.gz AKHVGLRMVFHJJX-FQEVSTJZSA-N 1 3 355.526 2.843 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017709 998684177 /nfs/dbraw/zinc/68/41/77/998684177.db2.gz SWHHFXHZBQMLBB-JTJHWIPRSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017709 998684179 /nfs/dbraw/zinc/68/41/79/998684179.db2.gz SWHHFXHZBQMLBB-JTJHWIPRSA-N 1 3 370.541 2.543 20 0 FFADHO C[N@@H+]1CCC[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001273255365 998722774 /nfs/dbraw/zinc/72/27/74/998722774.db2.gz PNZLALPQNJCZII-JYJNAYRXSA-N 1 3 361.452 2.736 20 0 FFADHO C[N@H+]1CCC[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001273255365 998722775 /nfs/dbraw/zinc/72/27/75/998722775.db2.gz PNZLALPQNJCZII-JYJNAYRXSA-N 1 3 361.452 2.736 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1)c1c[nH]cn1 ZINC001085075777 998857576 /nfs/dbraw/zinc/85/75/76/998857576.db2.gz KRVJVFWQUGQTHT-CABCVRRESA-N 1 3 366.456 2.655 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1)c1c[nH]cn1 ZINC001085075777 998857581 /nfs/dbraw/zinc/85/75/81/998857581.db2.gz KRVJVFWQUGQTHT-CABCVRRESA-N 1 3 366.456 2.655 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC001085217868 999185577 /nfs/dbraw/zinc/18/55/77/999185577.db2.gz VMQTXYUGKKPCBU-KZNAEPCWSA-N 1 3 364.559 2.577 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CNCCOc2cccc(C(C)(C)C)c2)cnn1C ZINC000903925580 1016309282 /nfs/dbraw/zinc/30/92/82/1016309282.db2.gz OEPOZPBAUSXJBE-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=S)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000737458342 999751120 /nfs/dbraw/zinc/75/11/20/999751120.db2.gz QLZSGSQXIVXZGJ-YLJYHZDGSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=S)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000737458342 999751123 /nfs/dbraw/zinc/75/11/23/999751123.db2.gz QLZSGSQXIVXZGJ-YLJYHZDGSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001086091378 999762439 /nfs/dbraw/zinc/76/24/39/999762439.db2.gz VJDPFLGUIJMYIQ-PVUDFCJISA-N 1 3 365.468 2.850 20 0 FFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001086091378 999762441 /nfs/dbraw/zinc/76/24/41/999762441.db2.gz VJDPFLGUIJMYIQ-PVUDFCJISA-N 1 3 365.468 2.850 20 0 FFADHO Fc1cccc(N2CCCC2)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980580 1016358086 /nfs/dbraw/zinc/35/80/86/1016358086.db2.gz VEJJHSIIESLKQQ-KDURUIRLSA-N 1 3 372.532 2.827 20 0 FFADHO CCC[NH+](CCC)CCN1CCN(C2CCC(C)(C(=O)OC)CC2)CC1 ZINC001168788988 999992621 /nfs/dbraw/zinc/99/26/21/999992621.db2.gz CPCRFAVQQNZNHE-UHFFFAOYSA-N 1 3 367.578 2.848 20 0 FFADHO C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C[C@@]2(C)C1 ZINC001168933478 1000009849 /nfs/dbraw/zinc/00/98/49/1000009849.db2.gz YEKHPNDIXPMEEA-YUXAGFNASA-N 1 3 373.516 2.838 20 0 FFADHO C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C[C@@]2(C)C1 ZINC001168933478 1000009851 /nfs/dbraw/zinc/00/98/51/1000009851.db2.gz YEKHPNDIXPMEEA-YUXAGFNASA-N 1 3 373.516 2.838 20 0 FFADHO C[C@@H](NCCOCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169122852 1000023045 /nfs/dbraw/zinc/02/30/45/1000023045.db2.gz DYWCNSPKGJDALF-IAGOWNOFSA-N 1 3 369.550 2.770 20 0 FFADHO C[C@@H](NCCOCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169122852 1000023047 /nfs/dbraw/zinc/02/30/47/1000023047.db2.gz DYWCNSPKGJDALF-IAGOWNOFSA-N 1 3 369.550 2.770 20 0 FFADHO C[C@@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC001169122852 1000023049 /nfs/dbraw/zinc/02/30/49/1000023049.db2.gz DYWCNSPKGJDALF-IAGOWNOFSA-N 1 3 369.550 2.770 20 0 FFADHO CCOC(=O)N1CCC[C@H]([NH+]2CCC(N(CC)[C@H]3CCOC3)CC2)CC1 ZINC001169703632 1000070519 /nfs/dbraw/zinc/07/05/19/1000070519.db2.gz NVEXKDOPLNYKPM-HKUYNNGSSA-N 1 3 367.534 2.573 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001110115571 1000337939 /nfs/dbraw/zinc/33/79/39/1000337939.db2.gz XWEJAGROAWGNQZ-FYQPLNBISA-N 1 3 363.546 2.543 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769516384 1000540263 /nfs/dbraw/zinc/54/02/63/1000540263.db2.gz UEENNGPPGWCVMY-ZWKOTPCHSA-N 1 3 369.550 2.819 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560946 1000638501 /nfs/dbraw/zinc/63/85/01/1000638501.db2.gz YRKFIOOWIKAMAV-QYZOEREBSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560876 1000638610 /nfs/dbraw/zinc/63/86/10/1000638610.db2.gz WGSLEOWYRZUHGG-AABGKKOBSA-N 1 3 365.562 2.788 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560876 1000638617 /nfs/dbraw/zinc/63/86/17/1000638617.db2.gz WGSLEOWYRZUHGG-AABGKKOBSA-N 1 3 365.562 2.788 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCc3ccccc32)CC1 ZINC001109650079 1000780018 /nfs/dbraw/zinc/78/00/18/1000780018.db2.gz QZYOXFDMBBBTBW-MDNKFWRPSA-N 1 3 353.510 2.737 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)C1CC1 ZINC001091738073 1001183396 /nfs/dbraw/zinc/18/33/96/1001183396.db2.gz PAJZJCNIJIHLCN-SBHAEUEKSA-N 1 3 359.558 2.687 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)C1CC1 ZINC001091738073 1001183403 /nfs/dbraw/zinc/18/34/03/1001183403.db2.gz PAJZJCNIJIHLCN-SBHAEUEKSA-N 1 3 359.558 2.687 20 0 FFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)cc1 ZINC001109977534 1001224498 /nfs/dbraw/zinc/22/44/98/1001224498.db2.gz NEBJGVYQKPEYMF-HKBOAZHASA-N 1 3 373.541 2.610 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1 ZINC001112585629 1001536095 /nfs/dbraw/zinc/53/60/95/1001536095.db2.gz JGKXZQFMANHIND-FFJLJMISSA-N 1 3 353.938 2.832 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786810350 1001631719 /nfs/dbraw/zinc/63/17/19/1001631719.db2.gz UBNYQCHKHXLWLF-KURKYZTESA-N 1 3 374.529 2.756 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]CC[C@H]2COc3ccccc3O2)CC1 ZINC001182434775 1001866502 /nfs/dbraw/zinc/86/65/02/1001866502.db2.gz QGIQOTUZZWMIJM-WBTXTPOCSA-N 1 3 360.498 2.840 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1)[NH+](C)C ZINC001091985394 1002178584 /nfs/dbraw/zinc/17/85/84/1002178584.db2.gz PLKWDUZSKGMACR-QFUCXCTJSA-N 1 3 361.505 2.692 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3C[N@H+](CC4CCC4)C[C@@]3(C)C2)C1 ZINC001092013756 1002288220 /nfs/dbraw/zinc/28/82/20/1002288220.db2.gz YZLSSWRUWVQDGD-QMMLZNLJSA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3C[N@@H+](CC4CCC4)C[C@@]3(C)C2)C1 ZINC001092013756 1002288232 /nfs/dbraw/zinc/28/82/32/1002288232.db2.gz YZLSSWRUWVQDGD-QMMLZNLJSA-N 1 3 365.537 2.779 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1)N(C)C ZINC001092021384 1002298362 /nfs/dbraw/zinc/29/83/62/1002298362.db2.gz BHTVYBADKKXTLT-AOIWGVFYSA-N 1 3 371.516 2.932 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1)N(C)C ZINC001092021384 1002298370 /nfs/dbraw/zinc/29/83/70/1002298370.db2.gz BHTVYBADKKXTLT-AOIWGVFYSA-N 1 3 371.516 2.932 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@]2(C)C1)N(C)C ZINC001092022355 1002301261 /nfs/dbraw/zinc/30/12/61/1002301261.db2.gz TWGFEUDLWNGRTE-URVUXULASA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@]2(C)C1)N(C)C ZINC001092022355 1002301274 /nfs/dbraw/zinc/30/12/74/1002301274.db2.gz TWGFEUDLWNGRTE-URVUXULASA-N 1 3 357.542 2.924 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC001086590756 1002470018 /nfs/dbraw/zinc/47/00/18/1002470018.db2.gz WUDCCTKIEAJGSY-PWRODBHTSA-N 1 3 355.526 2.855 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC001086590756 1002470023 /nfs/dbraw/zinc/47/00/23/1002470023.db2.gz WUDCCTKIEAJGSY-PWRODBHTSA-N 1 3 355.526 2.855 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCN(C(=O)OCc4ccccc4)C3)[C@H]2C1 ZINC001184389070 1002585456 /nfs/dbraw/zinc/58/54/56/1002585456.db2.gz UMZMNQWTSWVVGS-YRPNKDGESA-N 1 3 357.498 2.717 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092603066 1003211727 /nfs/dbraw/zinc/21/17/27/1003211727.db2.gz SPCRROPMRYAVPC-OIISXLGYSA-N 1 3 357.489 2.589 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092603066 1003211733 /nfs/dbraw/zinc/21/17/33/1003211733.db2.gz SPCRROPMRYAVPC-OIISXLGYSA-N 1 3 357.489 2.589 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1C ZINC001092658207 1003364607 /nfs/dbraw/zinc/36/46/07/1003364607.db2.gz LHWHSWHTOYTXAO-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1C ZINC001092658207 1003364616 /nfs/dbraw/zinc/36/46/16/1003364616.db2.gz LHWHSWHTOYTXAO-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)N1CCCC1 ZINC000793396048 1003366105 /nfs/dbraw/zinc/36/61/05/1003366105.db2.gz SYXDPMZJQBRZOM-UHFFFAOYSA-N 1 3 359.514 2.652 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401954 1004196578 /nfs/dbraw/zinc/19/65/78/1004196578.db2.gz DDROUFGMNOZUKC-OALUTQOASA-N 1 3 356.514 2.957 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401954 1004196582 /nfs/dbraw/zinc/19/65/82/1004196582.db2.gz DDROUFGMNOZUKC-OALUTQOASA-N 1 3 356.514 2.957 20 0 FFADHO CCOC(=O)C1=C(Nc2ccc(OC)c(C[NH+](CC)CC)c2)CCNC1 ZINC001170520880 1004544017 /nfs/dbraw/zinc/54/40/17/1004544017.db2.gz NEAHXNSYROYQRM-UHFFFAOYSA-N 1 3 361.486 2.759 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ccc4[nH]cnc4n3)c3ccccc23)CC1 ZINC001170523818 1004587278 /nfs/dbraw/zinc/58/72/78/1004587278.db2.gz DRNSQACKMQKHGU-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ccc4nc[nH]c4n3)c3ccccc23)CC1 ZINC001170523818 1004587289 /nfs/dbraw/zinc/58/72/89/1004587289.db2.gz DRNSQACKMQKHGU-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1 ZINC001130999963 1004636735 /nfs/dbraw/zinc/63/67/35/1004636735.db2.gz BOHLLVZYLRKDEA-NRFANRHFSA-N 1 3 359.514 2.621 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC001201415245 1005211288 /nfs/dbraw/zinc/21/12/88/1005211288.db2.gz BDDUVVODKMPDTI-PVSGBFIBSA-N 1 3 371.569 2.864 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccccc1C1CC1 ZINC001201481260 1005226479 /nfs/dbraw/zinc/22/64/79/1005226479.db2.gz PJPBZWUNKVHEOH-QFIPXVFZSA-N 1 3 365.521 2.943 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(C)C)n2)C1)N(C)C ZINC001488960320 1005379887 /nfs/dbraw/zinc/37/98/87/1005379887.db2.gz HSEXVNBACJMYCR-SQGPQFPESA-N 1 3 360.546 2.920 20 0 FFADHO Cc1ccc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)cc1 ZINC001095684360 1016986761 /nfs/dbraw/zinc/98/67/61/1016986761.db2.gz ALMOWERQMBSILC-HKBOAZHASA-N 1 3 367.537 2.887 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085411 1017013850 /nfs/dbraw/zinc/01/38/50/1017013850.db2.gz FYEKXJFUWVIFNU-MBDNFAEBSA-N 1 3 367.537 2.812 20 0 FFADHO COc1cccc([C@H](C)N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001188970448 1006828292 /nfs/dbraw/zinc/82/82/92/1006828292.db2.gz IDNYVUGCPGVYKX-XKGZKEIXSA-N 1 3 371.525 2.631 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCCC(F)(F)F)C[C@H]32)C1 ZINC001189127790 1006917271 /nfs/dbraw/zinc/91/72/71/1006917271.db2.gz ZOQBGEVJKQHYBK-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCCC(F)(F)F)C[C@H]32)C1 ZINC001189127790 1006917277 /nfs/dbraw/zinc/91/72/77/1006917277.db2.gz ZOQBGEVJKQHYBK-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817932147 1007814424 /nfs/dbraw/zinc/81/44/24/1007814424.db2.gz RIERYZDTMGPVEK-DQLDELGASA-N 1 3 368.477 2.886 20 0 FFADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000817948368 1007823056 /nfs/dbraw/zinc/82/30/56/1007823056.db2.gz IQTCYCRYTZVSSW-MRXNPFEDSA-N 1 3 373.522 2.579 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000885923336 1007837027 /nfs/dbraw/zinc/83/70/27/1007837027.db2.gz XCUXGNTZVNQLJY-UHFFFAOYSA-N 1 3 369.557 2.915 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3ccccc3)cc2)CC1 ZINC000818956433 1007994303 /nfs/dbraw/zinc/99/43/03/1007994303.db2.gz LPXXTMGRRNKPCX-JOCHJYFZSA-N 1 3 353.510 2.647 20 0 FFADHO Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000819121797 1008048532 /nfs/dbraw/zinc/04/85/32/1008048532.db2.gz OSJJEVHTJXHTFX-QFIPXVFZSA-N 1 3 354.494 2.775 20 0 FFADHO C[NH+](C)C1CC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000819681172 1008206431 /nfs/dbraw/zinc/20/64/31/1008206431.db2.gz VAPWUJSRPUVXAY-HTWSVDAQSA-N 1 3 369.431 2.650 20 0 FFADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1(C)C ZINC000858191618 1008320244 /nfs/dbraw/zinc/32/02/44/1008320244.db2.gz BFBXZKMJYWYTGD-CVEARBPZSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1(C)C ZINC000858191618 1008320247 /nfs/dbraw/zinc/32/02/47/1008320247.db2.gz BFBXZKMJYWYTGD-CVEARBPZSA-N 1 3 367.534 2.617 20 0 FFADHO CCOC(=O)COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000261630748 1008729170 /nfs/dbraw/zinc/72/91/70/1008729170.db2.gz FILOZMMYQSHDGO-VQTJNVASSA-N 1 3 354.450 2.555 20 0 FFADHO CCOC(=O)COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000261630748 1008729181 /nfs/dbraw/zinc/72/91/81/1008729181.db2.gz FILOZMMYQSHDGO-VQTJNVASSA-N 1 3 354.450 2.555 20 0 FFADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(O)cc2I)CC1 ZINC001206317881 1008894663 /nfs/dbraw/zinc/89/46/63/1008894663.db2.gz KFDIBOIQLVOISB-OAHLLOKOSA-N 1 3 374.266 2.948 20 0 FFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000887226489 1009082683 /nfs/dbraw/zinc/08/26/83/1009082683.db2.gz OLRJKSCBWDSPEU-INIZCTEOSA-N 1 3 353.470 2.886 20 0 FFADHO Cc1ccc(Br)c(F)c1CNCCC[N@H+](C)CCN(C)C ZINC001179257539 1009293863 /nfs/dbraw/zinc/29/38/63/1009293863.db2.gz DDXRDLKIQNFHJE-UHFFFAOYSA-N 1 3 360.315 2.870 20 0 FFADHO Cc1ccc(Br)c(F)c1CNCCC[N@@H+](C)CCN(C)C ZINC001179257539 1009293844 /nfs/dbraw/zinc/29/38/44/1009293844.db2.gz DDXRDLKIQNFHJE-UHFFFAOYSA-N 1 3 360.315 2.870 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC001206744498 1032407813 /nfs/dbraw/zinc/40/78/13/1032407813.db2.gz ZEZWLFQFRTUXQL-ORFBVSJDSA-N 1 3 357.542 2.884 20 0 FFADHO Cc1ccc(CN2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)c(Cl)c1 ZINC001093195147 1010111824 /nfs/dbraw/zinc/11/18/24/1010111824.db2.gz LMPVNYABONVLQV-BPQIPLTHSA-N 1 3 363.933 2.784 20 0 FFADHO Cc1ccc(CN2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)c(Cl)c1 ZINC001093195147 1010111829 /nfs/dbraw/zinc/11/18/29/1010111829.db2.gz LMPVNYABONVLQV-BPQIPLTHSA-N 1 3 363.933 2.784 20 0 FFADHO C[C@H](NC[C@@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000794487891 1010115405 /nfs/dbraw/zinc/11/54/05/1010115405.db2.gz MSTLIEXLZNPIRZ-JZXOWHBKSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@@H](O)CCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000794487891 1010115409 /nfs/dbraw/zinc/11/54/09/1010115409.db2.gz MSTLIEXLZNPIRZ-JZXOWHBKSA-N 1 3 369.550 2.505 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001181981757 1010326034 /nfs/dbraw/zinc/32/60/34/1010326034.db2.gz KNUYTSWNYBPWMJ-OAQYLSRUSA-N 1 3 357.542 2.788 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001181981757 1010326036 /nfs/dbraw/zinc/32/60/36/1010326036.db2.gz KNUYTSWNYBPWMJ-OAQYLSRUSA-N 1 3 357.542 2.788 20 0 FFADHO CCCCCOc1ccc(CN2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001204316752 1010354873 /nfs/dbraw/zinc/35/48/73/1010354873.db2.gz VEGKYZCRLAOBPW-UHFFFAOYSA-N 1 3 361.530 2.852 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccc(F)cc1Cl ZINC001093673223 1010456726 /nfs/dbraw/zinc/45/67/26/1010456726.db2.gz MJSNHDUPLNUHEL-SIIHOXLZSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1sccc1Cl ZINC001093824009 1010595335 /nfs/dbraw/zinc/59/53/35/1010595335.db2.gz CKFWTRUEGGTHBR-MRRJBJDNSA-N 1 3 369.962 2.926 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001093824060 1010595460 /nfs/dbraw/zinc/59/54/60/1010595460.db2.gz FPFSMLPKWNVDRQ-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001093824508 1010597588 /nfs/dbraw/zinc/59/75/88/1010597588.db2.gz YWSVYUUDHIHRSQ-OLMNPRSZSA-N 1 3 371.516 2.836 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001093839311 1010609208 /nfs/dbraw/zinc/60/92/08/1010609208.db2.gz JRZQGGKBTKGSIU-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc3cccnc32)[C@H](C)C1)N(C)C ZINC001093859593 1010634724 /nfs/dbraw/zinc/63/47/24/1010634724.db2.gz WDNQGMKTTHSEGO-NSISKUIASA-N 1 3 368.525 2.759 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1)N(C)C ZINC001094020730 1010787299 /nfs/dbraw/zinc/78/72/99/1010787299.db2.gz YFRPSQJJFLMGBZ-OZOXKJRCSA-N 1 3 370.541 2.938 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cc1 ZINC001094044142 1010807446 /nfs/dbraw/zinc/80/74/46/1010807446.db2.gz MOFQYZDHYKFJBJ-UYAOXDASSA-N 1 3 357.542 2.911 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001094075175 1010834148 /nfs/dbraw/zinc/83/41/48/1010834148.db2.gz YVTWYRUORDEHBK-KKVAFCGZSA-N 1 3 370.472 2.853 20 0 FFADHO CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110153984 1010881162 /nfs/dbraw/zinc/88/11/62/1010881162.db2.gz VZHZWLAUWGLWFP-GIVPXCGWSA-N 1 3 373.541 2.898 20 0 FFADHO CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110153984 1010881167 /nfs/dbraw/zinc/88/11/67/1010881167.db2.gz VZHZWLAUWGLWFP-GIVPXCGWSA-N 1 3 373.541 2.898 20 0 FFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001094237987 1010980897 /nfs/dbraw/zinc/98/08/97/1010980897.db2.gz URHHCMNJEWMJKJ-DYESRHJHSA-N 1 3 366.509 2.641 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001094413999 1011099251 /nfs/dbraw/zinc/09/92/51/1011099251.db2.gz OTHMVYIKRFFWNF-RANDZBMUSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001094413999 1011099258 /nfs/dbraw/zinc/09/92/58/1011099258.db2.gz OTHMVYIKRFFWNF-RANDZBMUSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2 ZINC001094413999 1011099265 /nfs/dbraw/zinc/09/92/65/1011099265.db2.gz OTHMVYIKRFFWNF-RANDZBMUSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001094413999 1011099270 /nfs/dbraw/zinc/09/92/70/1011099270.db2.gz OTHMVYIKRFFWNF-RANDZBMUSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001110847175 1011215427 /nfs/dbraw/zinc/21/54/27/1011215427.db2.gz JOJVMRHTCFTQDM-NRSPTQNISA-N 1 3 373.541 2.551 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000868447809 1011306449 /nfs/dbraw/zinc/30/64/49/1011306449.db2.gz WCOXFGXSGPILMO-XTBIFASLSA-N 1 3 358.530 2.994 20 0 FFADHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)c3cccnc3)CC2)CC1(C)C ZINC001171641950 1011423105 /nfs/dbraw/zinc/42/31/05/1011423105.db2.gz XDTVYQMRJZARSS-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)c3cccnc3)CC2)CC1(C)C ZINC001171641950 1011423109 /nfs/dbraw/zinc/42/31/09/1011423109.db2.gz XDTVYQMRJZARSS-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC1(C)C ZINC001171640600 1011423430 /nfs/dbraw/zinc/42/34/30/1011423430.db2.gz HBUSEYVXEIMSAX-MRXNPFEDSA-N 1 3 350.551 2.908 20 0 FFADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC1(C)C ZINC001171640600 1011423435 /nfs/dbraw/zinc/42/34/35/1011423435.db2.gz HBUSEYVXEIMSAX-MRXNPFEDSA-N 1 3 350.551 2.908 20 0 FFADHO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171640330 1011423783 /nfs/dbraw/zinc/42/37/83/1011423783.db2.gz CORHQUCJEJXGFH-KRWDZBQOSA-N 1 3 353.551 2.597 20 0 FFADHO CCN(C)C(=O)CO[C@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171640330 1011423793 /nfs/dbraw/zinc/42/37/93/1011423793.db2.gz CORHQUCJEJXGFH-KRWDZBQOSA-N 1 3 353.551 2.597 20 0 FFADHO C[NH+]1CCC(C)(C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)CC1 ZINC001274401439 1011424215 /nfs/dbraw/zinc/42/42/15/1011424215.db2.gz PDSZWYFFSMWWLW-GJZGRUSLSA-N 1 3 361.452 2.736 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718122 1011433123 /nfs/dbraw/zinc/43/31/23/1011433123.db2.gz RCXAOFIGFGSJTH-ULQDDVLXSA-N 1 3 365.518 2.861 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718122 1011433129 /nfs/dbraw/zinc/43/31/29/1011433129.db2.gz RCXAOFIGFGSJTH-ULQDDVLXSA-N 1 3 365.518 2.861 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1Cc1ccccc1 ZINC001171737953 1011469473 /nfs/dbraw/zinc/46/94/73/1011469473.db2.gz FFDMFEWWYZRXIG-PSWRPDDJSA-N 1 3 357.542 2.882 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCN1C1CC1 ZINC001172001228 1011559411 /nfs/dbraw/zinc/55/94/11/1011559411.db2.gz ZMECDHOMQYWUGV-VURPSTOHSA-N 1 3 353.510 2.640 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172176604 1011684376 /nfs/dbraw/zinc/68/43/76/1011684376.db2.gz AKRVPDLOFYMZOU-UXHICEINSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172176604 1011684379 /nfs/dbraw/zinc/68/43/79/1011684379.db2.gz AKRVPDLOFYMZOU-UXHICEINSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@H+](Cc1cccc(F)c1)C1CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172181974 1011689082 /nfs/dbraw/zinc/68/90/82/1011689082.db2.gz JFUQLNXJSXGINH-PMACEKPBSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172181974 1011689092 /nfs/dbraw/zinc/68/90/92/1011689092.db2.gz JFUQLNXJSXGINH-PMACEKPBSA-N 1 3 359.489 2.875 20 0 FFADHO COCCC[NH+]1CCC(NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001172247567 1011718148 /nfs/dbraw/zinc/71/81/48/1011718148.db2.gz MLPGTFXSPUXCAX-KRWDZBQOSA-N 1 3 357.539 2.626 20 0 FFADHO COCCC[NH+]1CCC(N2CCCN(C(=O)OC(C)(C)C)CCC2)CC1 ZINC001172254003 1011727044 /nfs/dbraw/zinc/72/70/44/1011727044.db2.gz GIACNBVXYVOELW-UHFFFAOYSA-N 1 3 369.550 2.820 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980508 1032578084 /nfs/dbraw/zinc/57/80/84/1032578084.db2.gz KIOWCWMPSQMPTP-UYAOXDASSA-N 1 3 358.530 2.593 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000646256260 1011820473 /nfs/dbraw/zinc/82/04/73/1011820473.db2.gz VMNVNDPIEKXGJS-VQIMIIECSA-N 1 3 367.497 2.718 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]2C1 ZINC001172556740 1011864412 /nfs/dbraw/zinc/86/44/12/1011864412.db2.gz BZDHBTUTHGNLSA-GXRSIYKFSA-N 1 3 358.526 2.992 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]2C1 ZINC001172556740 1011864431 /nfs/dbraw/zinc/86/44/31/1011864431.db2.gz BZDHBTUTHGNLSA-GXRSIYKFSA-N 1 3 358.526 2.992 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646377944 1011887635 /nfs/dbraw/zinc/88/76/35/1011887635.db2.gz CDBPLBUUVLQPPK-NJYVYQBISA-N 1 3 355.526 2.889 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001172628774 1011902498 /nfs/dbraw/zinc/90/24/98/1011902498.db2.gz YKBQBXJOPIBCBT-WSTZPKSXSA-N 1 3 352.519 2.541 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001172628774 1011902508 /nfs/dbraw/zinc/90/25/08/1011902508.db2.gz YKBQBXJOPIBCBT-WSTZPKSXSA-N 1 3 352.519 2.541 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Cl)N1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001172870625 1012081263 /nfs/dbraw/zinc/08/12/63/1012081263.db2.gz BCGHSBRRCYELTP-CZUORRHYSA-N 1 3 355.885 2.552 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001173112626 1012256745 /nfs/dbraw/zinc/25/67/45/1012256745.db2.gz YJRTVRIBCJTADV-UHFFFAOYSA-N 1 3 353.551 2.599 20 0 FFADHO COc1cccc2c1C[C@@H](NCc1ccccc1OCC[NH+](C)C)CO2 ZINC001173165460 1012276728 /nfs/dbraw/zinc/27/67/28/1012276728.db2.gz TWGHDPHDBPBZPO-QGZVFWFLSA-N 1 3 356.466 2.729 20 0 FFADHO COc1cccc2c1C[C@H](NCc1ccccc1OCC[NH+](C)C)CO2 ZINC001173165457 1012277203 /nfs/dbraw/zinc/27/72/03/1012277203.db2.gz TWGHDPHDBPBZPO-KRWDZBQOSA-N 1 3 356.466 2.729 20 0 FFADHO CSc1ccc(CN2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)cc1 ZINC001275647822 1012753936 /nfs/dbraw/zinc/75/39/36/1012753936.db2.gz RRXNWPFRBGZFQQ-SFHVURJKSA-N 1 3 361.555 2.688 20 0 FFADHO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)c1 ZINC001095240963 1012818498 /nfs/dbraw/zinc/81/84/98/1012818498.db2.gz LBSSAZQYSOIKLM-BVOGOJNSSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)c1 ZINC001095240963 1012818512 /nfs/dbraw/zinc/81/85/12/1012818512.db2.gz LBSSAZQYSOIKLM-BVOGOJNSSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCN2C)C3)c1 ZINC001095240963 1012818531 /nfs/dbraw/zinc/81/85/31/1012818531.db2.gz LBSSAZQYSOIKLM-BVOGOJNSSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCN2C)C3)c1 ZINC001095240963 1012818548 /nfs/dbraw/zinc/81/85/48/1012818548.db2.gz LBSSAZQYSOIKLM-BVOGOJNSSA-N 1 3 371.525 2.790 20 0 FFADHO C[N@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173757644 1012948671 /nfs/dbraw/zinc/94/86/71/1012948671.db2.gz ABYFEVCHDVPQFX-WOJBJXKFSA-N 1 3 354.502 2.753 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173757644 1012948691 /nfs/dbraw/zinc/94/86/91/1012948691.db2.gz ABYFEVCHDVPQFX-WOJBJXKFSA-N 1 3 354.502 2.753 20 0 FFADHO C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000828443763 1032703261 /nfs/dbraw/zinc/70/32/61/1032703261.db2.gz IBPHZQHJPZBCGH-INIZCTEOSA-N 1 3 372.513 2.970 20 0 FFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925512914 1017772567 /nfs/dbraw/zinc/77/25/67/1017772567.db2.gz GRJQQFVSIYNNMH-FCHUYYIVSA-N 1 3 357.542 2.777 20 0 FFADHO CC1(C)[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925508480 1017772735 /nfs/dbraw/zinc/77/27/35/1017772735.db2.gz GOISCXNAXODTCC-HSALFYBXSA-N 1 3 355.526 2.905 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C[NH3+])[C@H](C)C3)c(C)c2)CC1 ZINC000925916568 1017901805 /nfs/dbraw/zinc/90/18/05/1017901805.db2.gz SCZIUOFPZYHWTG-MSOLQXFVSA-N 1 3 373.545 2.586 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@]4(C3)CCCC[NH2+]4)c2)CC1 ZINC000926097003 1017962876 /nfs/dbraw/zinc/96/28/76/1017962876.db2.gz YFTZPRGRLGHAFM-NRFANRHFSA-N 1 3 371.529 2.578 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCOC2(CCOCC2)CC1 ZINC000681117019 1018369996 /nfs/dbraw/zinc/36/99/96/1018369996.db2.gz GBBWNQOZZFUUTA-UHFFFAOYSA-N 1 3 374.525 2.933 20 0 FFADHO O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C12CCOCC2 ZINC000927154536 1018382875 /nfs/dbraw/zinc/38/28/75/1018382875.db2.gz RNVYZECOMIVCOX-HGJUEJDCSA-N 1 3 356.510 2.559 20 0 FFADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCC1 ZINC000682121905 1018703088 /nfs/dbraw/zinc/70/30/88/1018703088.db2.gz MYIJRGDACBONDD-IBGZPJMESA-N 1 3 358.530 2.997 20 0 FFADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000901079556 1018722344 /nfs/dbraw/zinc/72/23/44/1018722344.db2.gz XCHRGKZQEBOUDH-IBGZPJMESA-N 1 3 370.497 2.618 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1 ZINC001110954756 1019186505 /nfs/dbraw/zinc/18/65/05/1019186505.db2.gz YDTRBOYAUQADKV-AQNXPRMDSA-N 1 3 355.526 2.867 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc(C)cc(C)n2)CC1 ZINC000929280281 1019348592 /nfs/dbraw/zinc/34/85/92/1019348592.db2.gz NVEPFGFYVXSJHD-UHFFFAOYSA-N 1 3 360.546 2.759 20 0 FFADHO Cc1ccc(F)cc1CN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045444930 1019971426 /nfs/dbraw/zinc/97/14/26/1019971426.db2.gz KOROPWZVHLRGQA-VQIMIIECSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)cc1CN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045444930 1019971434 /nfs/dbraw/zinc/97/14/34/1019971434.db2.gz KOROPWZVHLRGQA-VQIMIIECSA-N 1 3 361.505 2.945 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1ccccc1)N(C)C ZINC001110994592 1020130188 /nfs/dbraw/zinc/13/01/88/1020130188.db2.gz CEWQGEMHNXRTPH-MXEMCNAFSA-N 1 3 357.542 2.927 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCc1ccccc1)N(C)C ZINC001110994592 1020130194 /nfs/dbraw/zinc/13/01/94/1020130194.db2.gz CEWQGEMHNXRTPH-MXEMCNAFSA-N 1 3 357.542 2.927 20 0 FFADHO CC(C)N1CC[NH+](CCCN(C)Cc2ccn(-c3ccccc3)n2)CC1 ZINC000800335213 1020219282 /nfs/dbraw/zinc/21/92/82/1020219282.db2.gz KYOQLDKRUAXFBI-UHFFFAOYSA-N 1 3 355.530 2.720 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCOC)N(CC)CC ZINC001111018259 1020605398 /nfs/dbraw/zinc/60/53/98/1020605398.db2.gz OHFQGHJQSLEYJZ-YRXWBPOGSA-N 1 3 353.551 2.645 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCOC)N(CC)CC ZINC001111018259 1020605404 /nfs/dbraw/zinc/60/54/04/1020605404.db2.gz OHFQGHJQSLEYJZ-YRXWBPOGSA-N 1 3 353.551 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC001074015773 1020623635 /nfs/dbraw/zinc/62/36/35/1020623635.db2.gz NZAFZKVLIYGMAG-NSISKUIASA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC001074015773 1020623636 /nfs/dbraw/zinc/62/36/36/1020623636.db2.gz NZAFZKVLIYGMAG-NSISKUIASA-N 1 3 361.505 2.979 20 0 FFADHO Cc1nc([C@@H]2CCN(CCCCC[N@@H+]3CC[C@@H](c4noc(C)n4)C3)C2)no1 ZINC000931942013 1020637786 /nfs/dbraw/zinc/63/77/86/1020637786.db2.gz TXNLGNOYFQLTBM-IAGOWNOFSA-N 1 3 374.489 2.519 20 0 FFADHO Cc1nc([C@@H]2CCN(CCCCC[N@H+]3CC[C@@H](c4noc(C)n4)C3)C2)no1 ZINC000931942013 1020637791 /nfs/dbraw/zinc/63/77/91/1020637791.db2.gz TXNLGNOYFQLTBM-IAGOWNOFSA-N 1 3 374.489 2.519 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903064580 1020659806 /nfs/dbraw/zinc/65/98/06/1020659806.db2.gz DATZACWQMZXEEJ-NRFANRHFSA-N 1 3 363.521 2.911 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903064581 1020659835 /nfs/dbraw/zinc/65/98/35/1020659835.db2.gz DATZACWQMZXEEJ-OAQYLSRUSA-N 1 3 363.521 2.911 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cccc(Cl)c3F)[C@@H]2C)CC[N@@H+]1C ZINC001074661693 1020662021 /nfs/dbraw/zinc/66/20/21/1020662021.db2.gz FYHZGFHZPUCUDY-CXUGXGMPSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cccc(Cl)c3F)[C@@H]2C)CC[N@H+]1C ZINC001074661693 1020662024 /nfs/dbraw/zinc/66/20/24/1020662024.db2.gz FYHZGFHZPUCUDY-CXUGXGMPSA-N 1 3 367.896 2.898 20 0 FFADHO CCOC(=O)COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903125339 1020691642 /nfs/dbraw/zinc/69/16/42/1020691642.db2.gz MUKDPFBPLAUQMI-CTXDPNEZSA-N 1 3 372.509 2.918 20 0 FFADHO CCOC(=O)COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903125339 1020691647 /nfs/dbraw/zinc/69/16/47/1020691647.db2.gz MUKDPFBPLAUQMI-CTXDPNEZSA-N 1 3 372.509 2.918 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c(C)c1 ZINC001098219824 1020741435 /nfs/dbraw/zinc/74/14/35/1020741435.db2.gz UMFXSKNTJUDXPJ-KCLUMXDGSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c(C)c1 ZINC001098219824 1020741442 /nfs/dbraw/zinc/74/14/42/1020741442.db2.gz UMFXSKNTJUDXPJ-KCLUMXDGSA-N 1 3 355.526 2.867 20 0 FFADHO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900953427 1020749008 /nfs/dbraw/zinc/74/90/08/1020749008.db2.gz ADEPSKWPWVQZGR-UHFFFAOYSA-N 1 3 372.513 2.864 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903356741 1020802809 /nfs/dbraw/zinc/80/28/09/1020802809.db2.gz UUGNCEPCPWYPRB-BVYCBKJFSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903356741 1020802814 /nfs/dbraw/zinc/80/28/14/1020802814.db2.gz UUGNCEPCPWYPRB-BVYCBKJFSA-N 1 3 368.525 2.926 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCCCO2)c1 ZINC001098459634 1020925889 /nfs/dbraw/zinc/92/58/89/1020925889.db2.gz ODRULDJGIFRTEN-NCYKPQTJSA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCOC1 ZINC001098463716 1020931712 /nfs/dbraw/zinc/93/17/12/1020931712.db2.gz CIPBDAFSRXKIBN-DWIQEWEKSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCOC1 ZINC001098463716 1020931714 /nfs/dbraw/zinc/93/17/14/1020931714.db2.gz CIPBDAFSRXKIBN-DWIQEWEKSA-N 1 3 371.525 2.510 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000749825549 1021046180 /nfs/dbraw/zinc/04/61/80/1021046180.db2.gz HASJKPPGTCBUFU-UXHICEINSA-N 1 3 374.598 2.988 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(-c2ccon2)c1 ZINC000933783792 1021090081 /nfs/dbraw/zinc/09/00/81/1021090081.db2.gz PTEPPPKZEBASFE-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(-c2ccon2)c1 ZINC000933783792 1021090083 /nfs/dbraw/zinc/09/00/83/1021090083.db2.gz PTEPPPKZEBASFE-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001098996149 1021553200 /nfs/dbraw/zinc/55/32/00/1021553200.db2.gz AIYMDVDPTJFKDT-JEEBJRHZSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996149 1021553202 /nfs/dbraw/zinc/55/32/02/1021553202.db2.gz AIYMDVDPTJFKDT-JEEBJRHZSA-N 1 3 370.541 2.591 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145593631 1021690233 /nfs/dbraw/zinc/69/02/33/1021690233.db2.gz WAWXKNHQAMAVNT-GOSISDBHSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145593631 1021690239 /nfs/dbraw/zinc/69/02/39/1021690239.db2.gz WAWXKNHQAMAVNT-GOSISDBHSA-N 1 3 374.598 2.847 20 0 FFADHO CC(C)OCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467896 1021917271 /nfs/dbraw/zinc/91/72/71/1021917271.db2.gz ZZRWRXMORZHZRY-ZRNYENFQSA-N 1 3 365.562 2.643 20 0 FFADHO CC(C)OCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467895 1021917630 /nfs/dbraw/zinc/91/76/30/1021917630.db2.gz ZZRWRXMORZHZRY-YSTOQKLRSA-N 1 3 365.562 2.643 20 0 FFADHO C[NH2+][C@@H](C)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001118196306 1022112873 /nfs/dbraw/zinc/11/28/73/1022112873.db2.gz BDGGDTAFIXETBS-WMLDXEAASA-N 1 3 357.420 2.555 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001118264146 1022147716 /nfs/dbraw/zinc/14/77/16/1022147716.db2.gz ULPKTMWECXFLIX-OAHLLOKOSA-N 1 3 365.468 2.950 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc(C)c1OCCO ZINC001222609798 1033070530 /nfs/dbraw/zinc/07/05/30/1033070530.db2.gz RGLVYMDRHJBMBR-OAQYLSRUSA-N 1 3 366.505 2.864 20 0 FFADHO Cc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc(C)c1OCCO ZINC001222609798 1033070542 /nfs/dbraw/zinc/07/05/42/1033070542.db2.gz RGLVYMDRHJBMBR-OAQYLSRUSA-N 1 3 366.505 2.864 20 0 FFADHO Brc1ccc(CCCN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1 ZINC001222667021 1033101729 /nfs/dbraw/zinc/10/17/29/1033101729.db2.gz CYSDKUFGBAWUKF-SFHVURJKSA-N 1 3 366.347 2.799 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)cc2)CC1 ZINC001122323055 1023188739 /nfs/dbraw/zinc/18/87/39/1023188739.db2.gz HGBFYNGILQHLAH-QFIPXVFZSA-N 1 3 370.541 2.575 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(N(C)C)c1 ZINC001111304218 1023707286 /nfs/dbraw/zinc/70/72/86/1023707286.db2.gz YGHQNYZWMUKJGM-NJYVYQBISA-N 1 3 372.557 2.706 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(N(C)C)c1 ZINC001111304218 1023707290 /nfs/dbraw/zinc/70/72/90/1023707290.db2.gz YGHQNYZWMUKJGM-NJYVYQBISA-N 1 3 372.557 2.706 20 0 FFADHO CN1CCC[C@@H](c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC2CC2)C1 ZINC001123586190 1023883099 /nfs/dbraw/zinc/88/30/99/1023883099.db2.gz AQBROUDXEIBRKJ-MOPGFXCFSA-N 1 3 372.561 2.562 20 0 FFADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)nc(C)c1Br ZINC001218494802 1033180466 /nfs/dbraw/zinc/18/04/66/1033180466.db2.gz MYSZMLQBGAMQJG-ZDUSSCGKSA-N 1 3 371.323 2.895 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001121915830 1024165253 /nfs/dbraw/zinc/16/52/53/1024165253.db2.gz MCZDFQLSQRXMKJ-MSOLQXFVSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001121915830 1024165256 /nfs/dbraw/zinc/16/52/56/1024165256.db2.gz MCZDFQLSQRXMKJ-MSOLQXFVSA-N 1 3 371.525 2.895 20 0 FFADHO COc1ccc(-c2ccccn2)nc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218519834 1033197121 /nfs/dbraw/zinc/19/71/21/1033197121.db2.gz FSBYVCGCAHJAOE-HNNXBMFYSA-N 1 3 371.485 2.586 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCCCOC)C[C@@]2(C)C1 ZINC001101395958 1024625559 /nfs/dbraw/zinc/62/55/59/1024625559.db2.gz ZPHRFDFSQXFGCG-CTNGQTDRSA-N 1 3 367.578 2.705 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCCCOC)C[C@@]2(C)C1 ZINC001101395958 1024625565 /nfs/dbraw/zinc/62/55/65/1024625565.db2.gz ZPHRFDFSQXFGCG-CTNGQTDRSA-N 1 3 367.578 2.705 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@@]2(C)C1 ZINC001101438571 1024743071 /nfs/dbraw/zinc/74/30/71/1024743071.db2.gz GWIJHPGATGELSA-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@@]2(C)C1 ZINC001101438571 1024743085 /nfs/dbraw/zinc/74/30/85/1024743085.db2.gz GWIJHPGATGELSA-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001101440722 1024749122 /nfs/dbraw/zinc/74/91/22/1024749122.db2.gz SDJITSNFBLJKQK-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001101440722 1024749133 /nfs/dbraw/zinc/74/91/33/1024749133.db2.gz SDJITSNFBLJKQK-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1 ZINC001101477275 1024846809 /nfs/dbraw/zinc/84/68/09/1024846809.db2.gz LWMQWPJVSPGXFX-IRLDBZIGSA-N 1 3 357.542 2.658 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1 ZINC001101477275 1024846836 /nfs/dbraw/zinc/84/68/36/1024846836.db2.gz LWMQWPJVSPGXFX-IRLDBZIGSA-N 1 3 357.542 2.658 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1 ZINC001101478474 1024849291 /nfs/dbraw/zinc/84/92/91/1024849291.db2.gz PXOZVURMDOILDI-GGAORHGYSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1 ZINC001101478474 1024849311 /nfs/dbraw/zinc/84/93/11/1024849311.db2.gz PXOZVURMDOILDI-GGAORHGYSA-N 1 3 371.569 2.912 20 0 FFADHO O=C1[C@H]2CCCCC[C@@H]2N1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779877309 1025182668 /nfs/dbraw/zinc/18/26/68/1025182668.db2.gz MFLWSEJRYBDMGJ-PMACEKPBSA-N 1 3 363.546 2.559 20 0 FFADHO Cc1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)s1 ZINC001102070804 1025391051 /nfs/dbraw/zinc/39/10/51/1025391051.db2.gz UMLZXYSAIQEJJV-QBIMZIAESA-N 1 3 366.575 2.530 20 0 FFADHO Cc1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)s1 ZINC001102070804 1025391065 /nfs/dbraw/zinc/39/10/65/1025391065.db2.gz UMLZXYSAIQEJJV-QBIMZIAESA-N 1 3 366.575 2.530 20 0 FFADHO Cc1nsc(C)c1C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070907 1025391749 /nfs/dbraw/zinc/39/17/49/1025391749.db2.gz WOHWRHJJXDNAPW-QBIMZIAESA-N 1 3 366.575 2.530 20 0 FFADHO Cc1nsc(C)c1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070907 1025391760 /nfs/dbraw/zinc/39/17/60/1025391760.db2.gz WOHWRHJJXDNAPW-QBIMZIAESA-N 1 3 366.575 2.530 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1C)N(C)C ZINC001102086127 1025410046 /nfs/dbraw/zinc/41/00/46/1025410046.db2.gz QOWSNJLFNBSIRZ-NSISKUIASA-N 1 3 368.525 2.759 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C)N(C)C ZINC001102086127 1025410051 /nfs/dbraw/zinc/41/00/51/1025410051.db2.gz QOWSNJLFNBSIRZ-NSISKUIASA-N 1 3 368.525 2.759 20 0 FFADHO N[C@@H](C(=O)Nc1cn(Cc2ccccc2)c2ccccc12)C1CC[NH2+]CC1 ZINC001218692926 1033284775 /nfs/dbraw/zinc/28/47/75/1033284775.db2.gz CJXYOZSRMCWEGC-OAQYLSRUSA-N 1 3 362.477 2.955 20 0 FFADHO COc1ccc2nccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)c2c1 ZINC001141152665 1025533917 /nfs/dbraw/zinc/53/39/17/1025533917.db2.gz PFFKHPLMKDRQOV-UHFFFAOYSA-N 1 3 368.525 2.703 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000637716192 1025541483 /nfs/dbraw/zinc/54/14/83/1025541483.db2.gz AUARKIAUWLOONG-CBQMWWCCSA-N 1 3 370.541 2.836 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000637716192 1025541495 /nfs/dbraw/zinc/54/14/95/1025541495.db2.gz AUARKIAUWLOONG-CBQMWWCCSA-N 1 3 370.541 2.836 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637717083 1025544297 /nfs/dbraw/zinc/54/42/97/1025544297.db2.gz DJHGVDKTZMOVLC-UXHICEINSA-N 1 3 358.530 2.553 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637717083 1025544306 /nfs/dbraw/zinc/54/43/06/1025544306.db2.gz DJHGVDKTZMOVLC-UXHICEINSA-N 1 3 358.530 2.553 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001141191111 1025585968 /nfs/dbraw/zinc/58/59/68/1025585968.db2.gz HIUMOMKXSHMPOI-UHFFFAOYSA-N 1 3 365.525 2.603 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)s1 ZINC001102215240 1025597342 /nfs/dbraw/zinc/59/73/42/1025597342.db2.gz MPWVKNXULWCLDQ-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)c1 ZINC001102330305 1025759283 /nfs/dbraw/zinc/75/92/83/1025759283.db2.gz OCBJTHQQQSVSLC-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)c1 ZINC001102330305 1025759302 /nfs/dbraw/zinc/75/93/02/1025759302.db2.gz OCBJTHQQQSVSLC-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]2C)C1 ZINC001102369964 1025826750 /nfs/dbraw/zinc/82/67/50/1025826750.db2.gz MLBSLPGHBOUCLV-SQGPQFPESA-N 1 3 361.505 2.682 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]2C)C1 ZINC001102369964 1025826776 /nfs/dbraw/zinc/82/67/76/1025826776.db2.gz MLBSLPGHBOUCLV-SQGPQFPESA-N 1 3 361.505 2.682 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCc3ccccc3)C[C@H]2C)C1 ZINC001102372995 1025837259 /nfs/dbraw/zinc/83/72/59/1025837259.db2.gz STXIYIMNAUWJLC-SFHLNBCPSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2C)C1 ZINC001102372995 1025837279 /nfs/dbraw/zinc/83/72/79/1025837279.db2.gz STXIYIMNAUWJLC-SFHLNBCPSA-N 1 3 357.542 2.645 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccnc(N3CCCCCC3)c2)CC1 ZINC000638579455 1025897051 /nfs/dbraw/zinc/89/70/51/1025897051.db2.gz QPXZOSHSUPYZST-UHFFFAOYSA-N 1 3 360.546 2.787 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CN(Cc2conc2C)C[C@H]1C)C(C)C ZINC001102472369 1026037168 /nfs/dbraw/zinc/03/71/68/1026037168.db2.gz YOLIFJWJRDEJDW-SUMDDJOVSA-N 1 3 364.534 2.534 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638854104 1026051232 /nfs/dbraw/zinc/05/12/32/1026051232.db2.gz PAUKYXYKIVHQRL-FYYLOGMGSA-N 1 3 370.585 2.972 20 0 FFADHO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c2ccccc21 ZINC000639067634 1026153085 /nfs/dbraw/zinc/15/30/85/1026153085.db2.gz JYEXYKFUBUITAZ-RTBURBONSA-N 1 3 364.493 2.773 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000639111015 1026178314 /nfs/dbraw/zinc/17/83/14/1026178314.db2.gz KOVOYPDKTCVDPB-IBGZPJMESA-N 1 3 360.546 2.941 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000639111015 1026178321 /nfs/dbraw/zinc/17/83/21/1026178321.db2.gz KOVOYPDKTCVDPB-IBGZPJMESA-N 1 3 360.546 2.941 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514400 1026182208 /nfs/dbraw/zinc/18/22/08/1026182208.db2.gz WDJBNJFMJKAFRX-QLFBSQMISA-N 1 3 369.962 2.927 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514400 1026182219 /nfs/dbraw/zinc/18/22/19/1026182219.db2.gz WDJBNJFMJKAFRX-QLFBSQMISA-N 1 3 369.962 2.927 20 0 FFADHO O[C@@H](COc1cccc2[nH]ccc21)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682037 1026432099 /nfs/dbraw/zinc/43/20/99/1026432099.db2.gz FMGHSIALAVQPMV-GOSISDBHSA-N 1 3 366.465 2.515 20 0 FFADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000640419552 1026738254 /nfs/dbraw/zinc/73/82/54/1026738254.db2.gz LSOWFMHQFFQJBP-UHFFFAOYSA-N 1 3 364.465 2.514 20 0 FFADHO CN1CCC(N(c2cc(Oc3ccccc3)ncn2)C2CC[NH2+]CC2)CC1 ZINC001158575659 1027064871 /nfs/dbraw/zinc/06/48/71/1027064871.db2.gz PXPCZIOBOWFXHI-UHFFFAOYSA-N 1 3 367.497 2.922 20 0 FFADHO [NH3+]Cc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000641687218 1027269883 /nfs/dbraw/zinc/26/98/83/1027269883.db2.gz KGOXCBJOCXGCDD-UHFFFAOYSA-N 1 3 352.482 2.686 20 0 FFADHO C[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378637 1027352914 /nfs/dbraw/zinc/35/29/14/1027352914.db2.gz BXTPELYANNYBFO-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO Cn1cnc2c1ccnc2-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159459842 1027397442 /nfs/dbraw/zinc/39/74/42/1027397442.db2.gz GKMDBSXOAJOLER-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO CCN1CCN(Cc2ccc(Nc3cccc(OCC[NH3+])c3)cc2)CC1 ZINC001159509825 1027415360 /nfs/dbraw/zinc/41/53/60/1027415360.db2.gz YNLKXPQAVJOGFC-UHFFFAOYSA-N 1 3 354.498 2.905 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001159789250 1027499021 /nfs/dbraw/zinc/49/90/21/1027499021.db2.gz QLWBINDJOLVPOP-ZDUSSCGKSA-N 1 3 359.783 2.599 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1C ZINC001103550215 1027666521 /nfs/dbraw/zinc/66/65/21/1027666521.db2.gz FDIICCCRMLDIAO-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1C ZINC001103550215 1027666527 /nfs/dbraw/zinc/66/65/27/1027666527.db2.gz FDIICCCRMLDIAO-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001160348906 1027684902 /nfs/dbraw/zinc/68/49/02/1027684902.db2.gz HNUMRGQVCMAOSX-AEFFLSMTSA-N 1 3 370.522 2.923 20 0 FFADHO [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1Nc1cc2c(nn1)CCNC2 ZINC001160636380 1027780117 /nfs/dbraw/zinc/78/01/17/1027780117.db2.gz WFUXMYXNSIWWHK-BBITVKMKSA-N 1 3 369.472 2.521 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cc1 ZINC000643057163 1027831867 /nfs/dbraw/zinc/83/18/67/1027831867.db2.gz JQDLXZVWGJXNSX-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO CCN(Cc1ccc(OC)c(F)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445328 1027882472 /nfs/dbraw/zinc/88/24/72/1027882472.db2.gz CAZXWOJDPDECFY-BFYDXBDKSA-N 1 3 365.493 2.501 20 0 FFADHO CCN(Cc1ccc(OC)c(F)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445328 1027882476 /nfs/dbraw/zinc/88/24/76/1027882476.db2.gz CAZXWOJDPDECFY-BFYDXBDKSA-N 1 3 365.493 2.501 20 0 FFADHO C[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655037 1027895797 /nfs/dbraw/zinc/89/57/97/1027895797.db2.gz LXJUBLVVZNNYKS-IAGOWNOFSA-N 1 3 364.509 2.527 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC001160958080 1027946540 /nfs/dbraw/zinc/94/65/40/1027946540.db2.gz UVIPGWIIOFSRLV-DSKINZAPSA-N 1 3 373.541 2.896 20 0 FFADHO O=C([C@@H]1CNC[C@@H](F)C1)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054597 1027985951 /nfs/dbraw/zinc/98/59/51/1027985951.db2.gz DSHKNWINPPTTNB-BJLQDIEVSA-N 1 3 359.489 2.590 20 0 FFADHO O=C([C@@H]1CNC[C@@H](F)C1)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054597 1027985966 /nfs/dbraw/zinc/98/59/66/1027985966.db2.gz DSHKNWINPPTTNB-BJLQDIEVSA-N 1 3 359.489 2.590 20 0 FFADHO CC(C)(C)CN(C(=O)c1csc([C@H]2CCCN2)n1)C1CC[NH2+]CC1 ZINC001161261207 1028102153 /nfs/dbraw/zinc/10/21/53/1028102153.db2.gz BSNCNYYCYLUAGK-CQSZACIVSA-N 1 3 350.532 2.808 20 0 FFADHO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)cc1 ZINC001103754587 1028140892 /nfs/dbraw/zinc/14/08/92/1028140892.db2.gz MFCYIXIBCFTQHZ-IEBWSBKVSA-N 1 3 361.530 2.610 20 0 FFADHO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)cc1 ZINC001103754587 1028140899 /nfs/dbraw/zinc/14/08/99/1028140899.db2.gz MFCYIXIBCFTQHZ-IEBWSBKVSA-N 1 3 361.530 2.610 20 0 FFADHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161447590 1028179305 /nfs/dbraw/zinc/17/93/05/1028179305.db2.gz YDKCPRLWIXJIOQ-YSTOQKLRSA-N 1 3 367.578 2.606 20 0 FFADHO CN(C)CCN(C(=O)CCCc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161447490 1028179414 /nfs/dbraw/zinc/17/94/14/1028179414.db2.gz XRALBVHFGVHFJI-GOSISDBHSA-N 1 3 351.922 2.805 20 0 FFADHO Cc1ccc(C(F)(F)F)cc1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449943 1028179526 /nfs/dbraw/zinc/17/95/26/1028179526.db2.gz WCFRABKNFLMEKY-OAHLLOKOSA-N 1 3 357.420 2.770 20 0 FFADHO O=C(c1csc([C@H]2CCCN2)n1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161597932 1028246605 /nfs/dbraw/zinc/24/66/05/1028246605.db2.gz WNAQSTRTISWMBJ-MRXNPFEDSA-N 1 3 368.506 2.802 20 0 FFADHO N=C(N)N(CCCC[NH3+])C(=O)c1cn(CCCCCF)c2ccccc12 ZINC001154563587 1028357422 /nfs/dbraw/zinc/35/74/22/1028357422.db2.gz KHFNAZYUFIQUSJ-UHFFFAOYSA-N 1 3 361.465 2.856 20 0 FFADHO COc1cc(NC(=O)[C@H]2CCCN2CC(C)C)ccc1OCC[NH+](C)C ZINC001162115822 1028441481 /nfs/dbraw/zinc/44/14/81/1028441481.db2.gz UIXOYVWYSSQFGI-QGZVFWFLSA-N 1 3 363.502 2.695 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccc3ccccc3c2)CCCO1 ZINC000644632253 1028595184 /nfs/dbraw/zinc/59/51/84/1028595184.db2.gz HTLJUTAFHLSTLX-NQIIRXRSSA-N 1 3 372.509 2.670 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc3ccccc3c2)CCCO1 ZINC000644632253 1028595196 /nfs/dbraw/zinc/59/51/96/1028595196.db2.gz HTLJUTAFHLSTLX-NQIIRXRSSA-N 1 3 372.509 2.670 20 0 FFADHO c1cn(Cc2ccccc2)c2cc[nH+]c(NCc3nnn4c3CNCCC4)c12 ZINC001155397274 1028719190 /nfs/dbraw/zinc/71/91/90/1028719190.db2.gz FWBKXQXCIISQSL-UHFFFAOYSA-N 1 3 373.464 2.782 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2cc(Cl)c(OC)cc21 ZINC001163125793 1028813663 /nfs/dbraw/zinc/81/36/63/1028813663.db2.gz KHPCQFCYPPBISL-UHFFFAOYSA-N 1 3 350.854 2.570 20 0 FFADHO COc1ccc(O[C@H](C)CNc2cccc(N3CCC([NH3+])CC3)n2)cc1 ZINC001156080607 1029038778 /nfs/dbraw/zinc/03/87/78/1029038778.db2.gz NAPKSIJCZLOPLJ-OAHLLOKOSA-N 1 3 356.470 2.897 20 0 FFADHO CN(C)C1(CNc2nc3c(cccc3Br)[nH]2)CC[NH+](C)CC1 ZINC001164213242 1029206597 /nfs/dbraw/zinc/20/65/97/1029206597.db2.gz QNSRVLQVKUMOCG-UHFFFAOYSA-N 1 3 366.307 2.763 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCc3ccc(F)cc3F)CC2)CC[N@@H+]1C ZINC001164578453 1029327127 /nfs/dbraw/zinc/32/71/27/1029327127.db2.gz AWWVHEKAJKDUAG-RHSMWYFYSA-N 1 3 365.468 2.681 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCc3ccc(F)cc3F)CC2)CC[N@H+]1C ZINC001164578453 1029327140 /nfs/dbraw/zinc/32/71/40/1029327140.db2.gz AWWVHEKAJKDUAG-RHSMWYFYSA-N 1 3 365.468 2.681 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCc3cccc(F)c3F)CC2)CC[N@@H+]1C ZINC001164582402 1029333354 /nfs/dbraw/zinc/33/33/54/1029333354.db2.gz KPJALTTTYONDNN-GDBMZVCRSA-N 1 3 365.468 2.681 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCc3cccc(F)c3F)CC2)CC[N@H+]1C ZINC001164582402 1029333365 /nfs/dbraw/zinc/33/33/65/1029333365.db2.gz KPJALTTTYONDNN-GDBMZVCRSA-N 1 3 365.468 2.681 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782784 1029437964 /nfs/dbraw/zinc/43/79/64/1029437964.db2.gz YAJVGQPMYYIASL-ONTIZHBOSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782784 1029437971 /nfs/dbraw/zinc/43/79/71/1029437971.db2.gz YAJVGQPMYYIASL-ONTIZHBOSA-N 1 3 370.541 2.735 20 0 FFADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCCCCF)C2)[C@H](C1CC1)N1CCCC1 ZINC001111817223 1029541917 /nfs/dbraw/zinc/54/19/17/1029541917.db2.gz VHUIDDJDRHWOPD-ZJOUEHCJSA-N 1 3 365.537 2.971 20 0 FFADHO O=C(N[C@]12CCC[C@H]1C[N@H+](CCCCCF)C2)[C@H](C1CC1)N1CCCC1 ZINC001111817223 1029541918 /nfs/dbraw/zinc/54/19/18/1029541918.db2.gz VHUIDDJDRHWOPD-ZJOUEHCJSA-N 1 3 365.537 2.971 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3nnc(Cl)c4ccccc43)CC2)CC1 ZINC001157836674 1029672443 /nfs/dbraw/zinc/67/24/43/1029672443.db2.gz MVWUDJFMOKPFQN-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158027907 1029710904 /nfs/dbraw/zinc/71/09/04/1029710904.db2.gz IJABBSBQKLGSOT-VYDXJSESSA-N 1 3 361.452 2.689 20 0 FFADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158028444 1029711605 /nfs/dbraw/zinc/71/16/05/1029711605.db2.gz RCRXKYWYQZEPEQ-VYDXJSESSA-N 1 3 361.452 2.689 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1c(C)nsc1C)C2 ZINC001111926655 1029754871 /nfs/dbraw/zinc/75/48/71/1029754871.db2.gz BADCTLQEZAQWMK-LPHOPBHVSA-N 1 3 364.559 2.572 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1c(C)nsc1C)C2 ZINC001111926655 1029754878 /nfs/dbraw/zinc/75/48/78/1029754878.db2.gz BADCTLQEZAQWMK-LPHOPBHVSA-N 1 3 364.559 2.572 20 0 FFADHO C[C@H]1CCc2c(sc3ncnc(N4CCC([N@@H+]5CC[C@@H](N)C5)CC4)c23)C1 ZINC001158261687 1029777095 /nfs/dbraw/zinc/77/70/95/1029777095.db2.gz OQXSMIWSBHOKNV-UONOGXRCSA-N 1 3 371.554 2.818 20 0 FFADHO C[C@H]1CCc2c(sc3ncnc(N4CCC([N@H+]5CC[C@@H](N)C5)CC4)c23)C1 ZINC001158261687 1029777103 /nfs/dbraw/zinc/77/71/03/1029777103.db2.gz OQXSMIWSBHOKNV-UONOGXRCSA-N 1 3 371.554 2.818 20 0 FFADHO O=C([C@H]1CCC[C@@H](c2ccccc2)N1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335309 1029800988 /nfs/dbraw/zinc/80/09/88/1029800988.db2.gz RGLKLXTXZNSUNB-FNAHDJPLSA-N 1 3 361.489 2.968 20 0 FFADHO O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421451 1029825632 /nfs/dbraw/zinc/82/56/32/1029825632.db2.gz DVIXKJLIHQCJRQ-SFTDATJTSA-N 1 3 361.489 2.671 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F ZINC001112126204 1030055688 /nfs/dbraw/zinc/05/56/88/1030055688.db2.gz DIXVMAXMZQXTFN-HUUCEWRRSA-N 1 3 359.436 2.560 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841287656 1030161394 /nfs/dbraw/zinc/16/13/94/1030161394.db2.gz HQLKUYAMXJSHHX-UHFFFAOYSA-N 1 3 374.460 2.759 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(Cc2ccncc2)CC1 ZINC001142349664 1030335853 /nfs/dbraw/zinc/33/58/53/1030335853.db2.gz GKBWVJJEICUHSQ-HXUWFJFHSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(Cc2ccncc2)CC1 ZINC001142349664 1030335870 /nfs/dbraw/zinc/33/58/70/1030335870.db2.gz GKBWVJJEICUHSQ-HXUWFJFHSA-N 1 3 370.541 2.817 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000841709468 1030420220 /nfs/dbraw/zinc/42/02/20/1030420220.db2.gz GWCHTRSFPMMPEC-OAQYLSRUSA-N 1 3 366.509 2.652 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc(CC[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000841900928 1030530518 /nfs/dbraw/zinc/53/05/18/1030530518.db2.gz CVLVPTAPVKXYKE-OXQOHEQNSA-N 1 3 354.498 2.678 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841993846 1030572129 /nfs/dbraw/zinc/57/21/29/1030572129.db2.gz BPDSNCRDFWYIAF-MXVIHJGJSA-N 1 3 360.546 2.567 20 0 FFADHO CCCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112397136 1030741541 /nfs/dbraw/zinc/74/15/41/1030741541.db2.gz URUPEFVIZCJIBZ-ICSRJNTNSA-N 1 3 365.562 2.506 20 0 FFADHO COc1ccc2c(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000842478974 1030753423 /nfs/dbraw/zinc/75/34/23/1030753423.db2.gz MUJCZOZNRQJICB-WIYYLYMNSA-N 1 3 372.465 2.520 20 0 FFADHO Cc1nn(C)c(C)c1[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001204047616 1031056254 /nfs/dbraw/zinc/05/62/54/1031056254.db2.gz GSUTZQWRYXOGPT-CWFSZBLJSA-N 1 3 356.514 2.713 20 0 FFADHO Cc1nn(C)c(C)c1[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001204047616 1031056263 /nfs/dbraw/zinc/05/62/63/1031056263.db2.gz GSUTZQWRYXOGPT-CWFSZBLJSA-N 1 3 356.514 2.713 20 0 FFADHO COc1cccc2cc(CN3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)oc21 ZINC000843058268 1031166708 /nfs/dbraw/zinc/16/67/08/1031166708.db2.gz QPQZCNDSVFDEEN-CRAIPNDOSA-N 1 3 371.481 2.522 20 0 FFADHO C[NH+](C)CCOc1cccc(-c2noc([C@@H]3CNCc4ccccc43)n2)c1 ZINC000843186268 1031229705 /nfs/dbraw/zinc/22/97/05/1031229705.db2.gz LQQPFKGLXUWUQH-LJQANCHMSA-N 1 3 364.449 2.912 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363800 1031355991 /nfs/dbraw/zinc/35/59/91/1031355991.db2.gz AWHZDRNYHBWJJA-CYBMUJFWSA-N 1 3 371.403 2.988 20 0 FFADHO C[C@]1(C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)CCN(Cc2ccccc2)C1 ZINC000798395518 1031389193 /nfs/dbraw/zinc/38/91/93/1031389193.db2.gz FEHVWXLAOFQYMG-RBBKRZOGSA-N 1 3 369.484 2.724 20 0 FFADHO Cn1cc(CN2CCC[C@@](O)(C[NH3+])CC2)c2cc(Br)ccc21 ZINC001205220915 1031604930 /nfs/dbraw/zinc/60/49/30/1031604930.db2.gz NQNIYKJIXVUVDL-KRWDZBQOSA-N 1 3 366.303 2.617 20 0 FFADHO [NH3+]C[C@]1(O)CCCN(Cc2c[nH]c3c2cccc3Br)CC1 ZINC001205240831 1031620029 /nfs/dbraw/zinc/62/00/29/1031620029.db2.gz OJCWCXUXHCUQPM-INIZCTEOSA-N 1 3 352.276 2.606 20 0 FFADHO C[NH+]1CCC2(CCCN(CC(=O)NC3(c4ccccc4)CCC3)C2)CC1 ZINC000799177337 1031681836 /nfs/dbraw/zinc/68/18/36/1031681836.db2.gz MGJRQWJMSZIXKV-UHFFFAOYSA-N 1 3 355.526 2.990 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205639552 1031897451 /nfs/dbraw/zinc/89/74/51/1031897451.db2.gz ZWIJSTKEHUFREH-PRXHZCDDSA-N 1 3 352.425 2.958 20 0 FFADHO C[N@H+](Cc1ccccc1NC(=O)[C@@H](N)Cc1c[nH]cn1)C1CCCCC1 ZINC001219024224 1033472982 /nfs/dbraw/zinc/47/29/82/1033472982.db2.gz SSGKBSXERGIMJZ-SFHVURJKSA-N 1 3 355.486 2.683 20 0 FFADHO C[N@@H+](Cc1ccccc1NC(=O)[C@@H](N)Cc1c[nH]cn1)C1CCCCC1 ZINC001219024224 1033472986 /nfs/dbraw/zinc/47/29/86/1033472986.db2.gz SSGKBSXERGIMJZ-SFHVURJKSA-N 1 3 355.486 2.683 20 0 FFADHO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)Nc3ccc4c(c3)CNCCO4)C2)c1 ZINC001219028033 1033475943 /nfs/dbraw/zinc/47/59/43/1033475943.db2.gz MMKHQQQASBEVCV-XLIONFOSSA-N 1 3 365.477 2.636 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037579 1033481566 /nfs/dbraw/zinc/48/15/66/1033481566.db2.gz RIAJTWVQWDSTCH-VQTJNVASSA-N 1 3 365.562 2.744 20 0 FFADHO COCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223614673 1033518749 /nfs/dbraw/zinc/51/87/49/1033518749.db2.gz XUYBOAZIMTWEMY-ZCNNSNEGSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223614673 1033518759 /nfs/dbraw/zinc/51/87/59/1033518759.db2.gz XUYBOAZIMTWEMY-ZCNNSNEGSA-N 1 3 365.562 2.600 20 0 FFADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC001219274244 1033580679 /nfs/dbraw/zinc/58/06/79/1033580679.db2.gz WVGLBFJBIFWIPT-VIFPVBQESA-N 1 3 359.270 2.609 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCC)[C@H]2C1 ZINC001223883645 1033626269 /nfs/dbraw/zinc/62/62/69/1033626269.db2.gz RYMCTALLWDEHSZ-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCC)[C@H]2C1 ZINC001223883645 1033626273 /nfs/dbraw/zinc/62/62/73/1033626273.db2.gz RYMCTALLWDEHSZ-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2c1CC(C)(C)C(=O)N2 ZINC001219528096 1033676867 /nfs/dbraw/zinc/67/68/67/1033676867.db2.gz LQLNZOZJWGURCT-HNNXBMFYSA-N 1 3 360.502 2.642 20 0 FFADHO N[C@@H](CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001219611361 1033714138 /nfs/dbraw/zinc/71/41/38/1033714138.db2.gz YIAZJXXHLGIKCP-AAEUAGOBSA-N 1 3 369.309 2.506 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001219649606 1033733983 /nfs/dbraw/zinc/73/39/83/1033733983.db2.gz KBSMCYJWUXKTOL-RYQLBKOJSA-N 1 3 363.933 2.914 20 0 FFADHO [NH3+]C[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001219999345 1033934182 /nfs/dbraw/zinc/93/41/82/1033934182.db2.gz QHWPMDDGTBYELT-SFTDATJTSA-N 1 3 351.494 2.757 20 0 FFADHO N[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001220500265 1034225963 /nfs/dbraw/zinc/22/59/63/1034225963.db2.gz HJZDLKZPEZRXRL-JKSUJKDBSA-N 1 3 351.372 2.912 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001220726362 1034357444 /nfs/dbraw/zinc/35/74/44/1034357444.db2.gz TYAXTZKDBVGAPD-QRVBRYPASA-N 1 3 367.578 2.629 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001220726362 1034357459 /nfs/dbraw/zinc/35/74/59/1034357459.db2.gz TYAXTZKDBVGAPD-QRVBRYPASA-N 1 3 367.578 2.629 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@]2(N)CCc3cc(F)ccc3C2)cc1 ZINC001220904776 1034450479 /nfs/dbraw/zinc/45/04/79/1034450479.db2.gz BXZAUQFYIIWPKE-QFIPXVFZSA-N 1 3 369.484 2.562 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2CCCCN2C2CC2)([NH+](C)C)C1 ZINC001221294359 1034655142 /nfs/dbraw/zinc/65/51/42/1034655142.db2.gz QUTXXQPHWPEVJK-YVWKXTFCSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001226932728 1034887118 /nfs/dbraw/zinc/88/71/18/1034887118.db2.gz PMSRHPTURVSELU-NUJGCVRESA-N 1 3 366.937 2.838 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1)[NH+](C)C ZINC001226932391 1034887367 /nfs/dbraw/zinc/88/73/67/1034887367.db2.gz KMHZRBPUYMMGKD-NUJGCVRESA-N 1 3 366.937 2.838 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(F)c1)N(C)C ZINC001227047613 1034920407 /nfs/dbraw/zinc/92/04/07/1034920407.db2.gz JCILOOFMSMTQRN-KZNAEPCWSA-N 1 3 365.493 2.692 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1csc(C)n1 ZINC001227149676 1034950120 /nfs/dbraw/zinc/95/01/20/1034950120.db2.gz CHRHWXNYIOAQGE-IAGOWNOFSA-N 1 3 366.575 2.741 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)C1CCCC1 ZINC001227150402 1034951745 /nfs/dbraw/zinc/95/17/45/1034951745.db2.gz QELXJNFXBTYDHO-QRVBRYPASA-N 1 3 367.578 2.939 20 0 FFADHO C[C@H]1C[C@@H](Oc2c(CN(C)C)cc(C[NH+](C)C)cc2CN(C)C)CCO1 ZINC001227164478 1034956701 /nfs/dbraw/zinc/95/67/01/1034956701.db2.gz JWTUAAQWJYGWHL-JXFKEZNVSA-N 1 3 363.546 2.818 20 0 FFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC[C@@H]1CCCCO1 ZINC001227160505 1034956857 /nfs/dbraw/zinc/95/68/57/1034956857.db2.gz HWAMFQMFOKEFIY-FQEVSTJZSA-N 1 3 363.546 2.819 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CCc3ccc(Cl)cc3)C[C@H]21 ZINC001221776818 1035060498 /nfs/dbraw/zinc/06/04/98/1035060498.db2.gz FFULYHQPFJKCFL-IEBWSBKVSA-N 1 3 363.933 2.757 20 0 FFADHO CCN1C[C@@H](N[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)CC1=O ZINC000834888937 1035469586 /nfs/dbraw/zinc/46/95/86/1035469586.db2.gz DBACRKJJNYCGKT-LPHOPBHVSA-N 1 3 359.514 2.953 20 0 FFADHO CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3cncc4cnccc43)C2)C1 ZINC001232647955 1035904450 /nfs/dbraw/zinc/90/44/50/1035904450.db2.gz MEXBVXICPXVVPT-NRFANRHFSA-N 1 3 354.498 2.953 20 0 FFADHO CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3cncc4cnccc43)C2)C1 ZINC001232647955 1035904459 /nfs/dbraw/zinc/90/44/59/1035904459.db2.gz MEXBVXICPXVVPT-NRFANRHFSA-N 1 3 354.498 2.953 20 0 FFADHO COC(=O)c1cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)ccn1 ZINC001232773009 1036009543 /nfs/dbraw/zinc/00/95/43/1036009543.db2.gz PCMPLKWMHFFXLM-UHFFFAOYSA-N 1 3 365.477 2.966 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228444537 1036116603 /nfs/dbraw/zinc/11/66/03/1036116603.db2.gz CBILNDRARWZXMM-KZNAEPCWSA-N 1 3 366.575 2.863 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)s1 ZINC001228444578 1036117539 /nfs/dbraw/zinc/11/75/39/1036117539.db2.gz DINSZLOBXVFGAJ-JFIYKMOQSA-N 1 3 366.575 2.863 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](Cc1ccc(C3CC3)cc1)CC2 ZINC001232981666 1036216293 /nfs/dbraw/zinc/21/62/93/1036216293.db2.gz FHKRJWHSFYZWTH-UHFFFAOYSA-N 1 3 365.521 2.888 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccc(C3CC3)cc1)CC2 ZINC001232981666 1036216301 /nfs/dbraw/zinc/21/63/01/1036216301.db2.gz FHKRJWHSFYZWTH-UHFFFAOYSA-N 1 3 365.521 2.888 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1)CC(C)(C)C ZINC001228647397 1036230583 /nfs/dbraw/zinc/23/05/83/1036230583.db2.gz SIQSEZPZINICOE-KZNAEPCWSA-N 1 3 367.578 2.796 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC001229230987 1036564771 /nfs/dbraw/zinc/56/47/71/1036564771.db2.gz KXKZLCCGIGIOKC-WOJBJXKFSA-N 1 3 361.530 2.562 20 0 FFADHO Cc1cc(Cl)cc(CN2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)c1 ZINC001277371343 1036590342 /nfs/dbraw/zinc/59/03/42/1036590342.db2.gz YFDXJDVJLQBJRH-SFHVURJKSA-N 1 3 363.933 2.928 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001233738694 1036738431 /nfs/dbraw/zinc/73/84/31/1036738431.db2.gz CNTJVPSGZPFWOB-IEBWSBKVSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001233738694 1036738452 /nfs/dbraw/zinc/73/84/52/1036738452.db2.gz CNTJVPSGZPFWOB-IEBWSBKVSA-N 1 3 360.546 2.927 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC ZINC001229615646 1036779111 /nfs/dbraw/zinc/77/91/11/1036779111.db2.gz PVWMNOOXJRAMEH-QRVBRYPASA-N 1 3 353.551 2.695 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C ZINC001229868949 1036947536 /nfs/dbraw/zinc/94/75/36/1036947536.db2.gz QUZFHLZIBZNDGG-RTBURBONSA-N 1 3 361.530 2.733 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C)cc1 ZINC001229939506 1036990697 /nfs/dbraw/zinc/99/06/97/1036990697.db2.gz CNNQHHXYDATECK-RTBURBONSA-N 1 3 370.497 2.665 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001206974545 1037006640 /nfs/dbraw/zinc/00/66/40/1037006640.db2.gz HRUDNLTXPIRUOW-QWFCFKBJSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001206974545 1037006660 /nfs/dbraw/zinc/00/66/60/1037006660.db2.gz HRUDNLTXPIRUOW-QWFCFKBJSA-N 1 3 365.562 2.503 20 0 FFADHO COc1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)cc(OC)n1 ZINC001235092640 1037360884 /nfs/dbraw/zinc/36/08/84/1037360884.db2.gz XYHPBBIXNGCHSI-UHFFFAOYSA-N 1 3 353.466 2.736 20 0 FFADHO Brc1ccc(CCC[N@@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)cc1 ZINC001235369130 1037510887 /nfs/dbraw/zinc/51/08/87/1037510887.db2.gz QMIRYXSNURVEMA-KBAYOESNSA-N 1 3 365.315 2.835 20 0 FFADHO Brc1ccc(CCC[N@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)cc1 ZINC001235369130 1037510897 /nfs/dbraw/zinc/51/08/97/1037510897.db2.gz QMIRYXSNURVEMA-KBAYOESNSA-N 1 3 365.315 2.835 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540976 1037531868 /nfs/dbraw/zinc/53/18/68/1037531868.db2.gz NUEIVJGMUGEBNJ-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540976 1037531878 /nfs/dbraw/zinc/53/18/78/1037531878.db2.gz NUEIVJGMUGEBNJ-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO c1nc(CNC2CCC2)c2n1CCCN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001235560006 1037622906 /nfs/dbraw/zinc/62/29/06/1037622906.db2.gz SZNAGHYKYVSUAI-UHFFFAOYSA-N 1 3 365.525 2.577 20 0 FFADHO Cc1ccc(O[C@@H]2CCCN(Cc3ccc(N4CC[NH2+]CC4)nc3)C2)cc1 ZINC001235688068 1037683153 /nfs/dbraw/zinc/68/31/53/1037683153.db2.gz MICRWKBHVUFRSI-OAQYLSRUSA-N 1 3 366.509 2.843 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001207758035 1037699953 /nfs/dbraw/zinc/69/99/53/1037699953.db2.gz SCQNXMIBXMPMHC-OWCLPIDISA-N 1 3 359.505 2.979 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001207758035 1037699958 /nfs/dbraw/zinc/69/99/58/1037699958.db2.gz SCQNXMIBXMPMHC-OWCLPIDISA-N 1 3 359.505 2.979 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H](CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001236012916 1037890796 /nfs/dbraw/zinc/89/07/96/1037890796.db2.gz UKUSUMXCDLGMLW-DBQGFPOUSA-N 1 3 356.510 2.829 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1cc(Br)c2ccccc2c1 ZINC001236080921 1037923248 /nfs/dbraw/zinc/92/32/48/1037923248.db2.gz IJNRONQBYBRLDT-UHFFFAOYSA-N 1 3 362.315 2.939 20 0 FFADHO CCn1c2ccccc2nc1N1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208112144 1038045033 /nfs/dbraw/zinc/04/50/33/1038045033.db2.gz RRRAMYMQRRQVOF-UHFFFAOYSA-N 1 3 355.530 2.910 20 0 FFADHO Fc1ccc(CN(Cc2nc3c(s2)CNCC3)CC2CC[NH2+]CC2)cc1 ZINC001236385186 1038065615 /nfs/dbraw/zinc/06/56/15/1038065615.db2.gz QAHDWUBIMALLFZ-UHFFFAOYSA-N 1 3 374.529 2.930 20 0 FFADHO CCCCN1CCC(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC001255807995 1038180725 /nfs/dbraw/zinc/18/07/25/1038180725.db2.gz LDUQTIGUTIZBIA-KRWDZBQOSA-N 1 3 352.544 2.951 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255959222 1038273663 /nfs/dbraw/zinc/27/36/63/1038273663.db2.gz JMNCIRDRFBUXOT-DBXWQHBBSA-N 1 3 358.530 2.877 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255959222 1038273668 /nfs/dbraw/zinc/27/36/68/1038273668.db2.gz JMNCIRDRFBUXOT-DBXWQHBBSA-N 1 3 358.530 2.877 20 0 FFADHO [NH3+]C1(Cc2ccccc2)CCN(C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255978165 1038286088 /nfs/dbraw/zinc/28/60/88/1038286088.db2.gz AELAMSCLFCBKSD-UHFFFAOYSA-N 1 3 369.431 2.576 20 0 FFADHO O=C(N1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1)C(F)(F)F ZINC001255977896 1038287179 /nfs/dbraw/zinc/28/71/79/1038287179.db2.gz SESQBLSNNGCLGI-UHFFFAOYSA-N 1 3 361.452 2.784 20 0 FFADHO O=C(N1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1)C(F)(F)F ZINC001255986236 1038291674 /nfs/dbraw/zinc/29/16/74/1038291674.db2.gz VBFWFWQDFGPOGH-HNNXBMFYSA-N 1 3 361.452 2.880 20 0 FFADHO O=C(N1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1)C(F)(F)F ZINC001255986236 1038291679 /nfs/dbraw/zinc/29/16/79/1038291679.db2.gz VBFWFWQDFGPOGH-HNNXBMFYSA-N 1 3 361.452 2.880 20 0 FFADHO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001256037375 1038332478 /nfs/dbraw/zinc/33/24/78/1038332478.db2.gz FEECYEJSNJOMCZ-FPOVZHCZSA-N 1 3 357.498 2.815 20 0 FFADHO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001256037375 1038332488 /nfs/dbraw/zinc/33/24/88/1038332488.db2.gz FEECYEJSNJOMCZ-FPOVZHCZSA-N 1 3 357.498 2.815 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001256091436 1038377783 /nfs/dbraw/zinc/37/77/83/1038377783.db2.gz RIANRNGVCJNSCL-RBUKOAKNSA-N 1 3 350.551 2.768 20 0 FFADHO CCn1c2ccccc2nc1N1CCN(CC2CC[NH+](CC)CC2)CC1 ZINC001208602849 1038440203 /nfs/dbraw/zinc/44/02/03/1038440203.db2.gz PCJADRGEBQMHJW-UHFFFAOYSA-N 1 3 355.530 2.910 20 0 FFADHO CCOC(=O)N1CCC([NH+]2CCC(N)(c3ccc(OC)cc3)CC2)CC1 ZINC001256236829 1038444080 /nfs/dbraw/zinc/44/40/80/1038444080.db2.gz XDWXXFIAWBBSMH-UHFFFAOYSA-N 1 3 361.486 2.566 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)C1 ZINC001208610853 1038444931 /nfs/dbraw/zinc/44/49/31/1038444931.db2.gz ANYNYXYLTMJNLF-HKUYNNGSSA-N 1 3 364.484 2.961 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)C1 ZINC001208610853 1038444935 /nfs/dbraw/zinc/44/49/35/1038444935.db2.gz ANYNYXYLTMJNLF-HKUYNNGSSA-N 1 3 364.484 2.961 20 0 FFADHO COC(=O)[C@H](C)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001208714044 1038496804 /nfs/dbraw/zinc/49/68/04/1038496804.db2.gz RVSOYDRNTROEES-IEBWSBKVSA-N 1 3 360.498 2.551 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CN(Cc3ccc(F)cc3)CCO2)CC1 ZINC001256561389 1038560759 /nfs/dbraw/zinc/56/07/59/1038560759.db2.gz HJMCWCZFRDLTAH-HXUWFJFHSA-N 1 3 363.521 2.879 20 0 FFADHO c1ccc(CN2CCC([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)CC2)cc1 ZINC001256601895 1038578890 /nfs/dbraw/zinc/57/88/90/1038578890.db2.gz JPXBJWGDLPVUNK-AQYVVDRMSA-N 1 3 357.542 2.884 20 0 FFADHO CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937768 1038594516 /nfs/dbraw/zinc/59/45/16/1038594516.db2.gz TXXBITYGVZLGQU-IRLDBZIGSA-N 1 3 355.526 2.985 20 0 FFADHO CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937768 1038594519 /nfs/dbraw/zinc/59/45/19/1038594519.db2.gz TXXBITYGVZLGQU-IRLDBZIGSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1C(=O)CCC12CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208943371 1038597410 /nfs/dbraw/zinc/59/74/10/1038597410.db2.gz HCXZCTAKQWUIKH-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1C(=O)CCC12CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208943371 1038597417 /nfs/dbraw/zinc/59/74/17/1038597417.db2.gz HCXZCTAKQWUIKH-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1ccnc(O[C@@H]2CC[N@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)n1 ZINC001208962067 1038609176 /nfs/dbraw/zinc/60/91/76/1038609176.db2.gz HECUETXLGUWMOB-WOJBJXKFSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1ccnc(O[C@@H]2CC[N@@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)n1 ZINC001208962067 1038609178 /nfs/dbraw/zinc/60/91/78/1038609178.db2.gz HECUETXLGUWMOB-WOJBJXKFSA-N 1 3 352.482 2.760 20 0 FFADHO Clc1ccnc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256861937 1038638717 /nfs/dbraw/zinc/63/87/17/1038638717.db2.gz ZVZRTWASAMCHQO-UHFFFAOYSA-N 1 3 357.889 2.921 20 0 FFADHO Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278979785 1038662030 /nfs/dbraw/zinc/66/20/30/1038662030.db2.gz NCMUORHCBBLWNI-CALCHBBNSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278979785 1038662034 /nfs/dbraw/zinc/66/20/34/1038662034.db2.gz NCMUORHCBBLWNI-CALCHBBNSA-N 1 3 363.933 2.880 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001257027970 1038682038 /nfs/dbraw/zinc/68/20/38/1038682038.db2.gz PRXCMYFHZFUUMD-NHCUHLMSSA-N 1 3 373.541 2.646 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN(CC2COC(C)(C)OC2)CC1 ZINC001209202416 1038713011 /nfs/dbraw/zinc/71/30/11/1038713011.db2.gz PYUAHULWNXKGGI-UHFFFAOYSA-N 1 3 355.567 2.515 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccnc(Cl)c3)CC2)C1 ZINC001279003887 1038755217 /nfs/dbraw/zinc/75/52/17/1038755217.db2.gz AKNSCGYAAPECHR-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccnc(Cl)c3)CC2)C1 ZINC001279003887 1038755221 /nfs/dbraw/zinc/75/52/21/1038755221.db2.gz AKNSCGYAAPECHR-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CC3CCC(OC)CC3)CC2)C1 ZINC001209397120 1038827191 /nfs/dbraw/zinc/82/71/91/1038827191.db2.gz QEYBWKCQUVTJOI-FDYSRKEFSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CC3CCC(OC)CC3)CC2)C1 ZINC001209397120 1038827216 /nfs/dbraw/zinc/82/72/16/1038827216.db2.gz QEYBWKCQUVTJOI-FDYSRKEFSA-N 1 3 366.546 2.931 20 0 FFADHO Cc1ccc(Br)cc1CN1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001278621900 1038897209 /nfs/dbraw/zinc/89/72/09/1038897209.db2.gz NVTXVAHDRPBFIU-MAUKXSAKSA-N 1 3 366.347 2.825 20 0 FFADHO C[NH+]1CCC(CN2CCN([C@H]3COc4ccc(Cl)cc4C3)CC2)CC1 ZINC001257965578 1039088562 /nfs/dbraw/zinc/08/85/62/1039088562.db2.gz DFFVUBRACBTARK-LJQANCHMSA-N 1 3 363.933 2.603 20 0 FFADHO CCN(C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001251372859 1039095447 /nfs/dbraw/zinc/09/54/47/1039095447.db2.gz ZNBQYNWHVMCLGQ-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NCC[N@H+]1CC[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001251372859 1039095462 /nfs/dbraw/zinc/09/54/62/1039095462.db2.gz ZNBQYNWHVMCLGQ-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001258001635 1039103345 /nfs/dbraw/zinc/10/33/45/1039103345.db2.gz YEOKUNZFDAXESL-NNZMDNLPSA-N 1 3 351.535 2.809 20 0 FFADHO Cc1ccccc1OC[C@@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246005390 1039187507 /nfs/dbraw/zinc/18/75/07/1039187507.db2.gz UYEBPSOCMLJZOP-MDASCCDHSA-N 1 3 364.436 2.561 20 0 FFADHO CC(C)([NH3+])CN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246098847 1039244014 /nfs/dbraw/zinc/24/40/14/1039244014.db2.gz FTAKATVLACOFEE-ILXRZTDVSA-N 1 3 370.534 2.782 20 0 FFADHO O[C@]1(C[NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)CCCCNC1 ZINC001246115474 1039245763 /nfs/dbraw/zinc/24/57/63/1039245763.db2.gz YZACFZPPLUALSM-LYBXBRPPSA-N 1 3 366.546 2.573 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CN1 ZINC001246170061 1039265041 /nfs/dbraw/zinc/26/50/41/1039265041.db2.gz LDDRZVZUAOWCOE-AABGKKOBSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@H]1C[C@H](N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CN1Cc1ccccc1 ZINC001246206324 1039280025 /nfs/dbraw/zinc/28/00/25/1039280025.db2.gz FLBZOEKNHQVHBW-WDSOQIARSA-N 1 3 361.530 2.688 20 0 FFADHO CC[C@@H]1C[C@@H](N[C@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246266244 1039292293 /nfs/dbraw/zinc/29/22/93/1039292293.db2.gz FZKWSYHCLUSIJB-PMPSAXMXSA-N 1 3 370.278 2.879 20 0 FFADHO CCC(CC)[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246413372 1039343708 /nfs/dbraw/zinc/34/37/08/1039343708.db2.gz VTJCOPIMYFTYJX-VBYHGFAZSA-N 1 3 368.562 2.703 20 0 FFADHO C[C@H]1CC[C@@H]([NH2+][C@H](CO)Cc2ccc(OCc3ccccc3)cc2)CN1 ZINC001246454699 1039359672 /nfs/dbraw/zinc/35/96/72/1039359672.db2.gz FLFGSJQSICAHDT-WMQCIHAUSA-N 1 3 354.494 2.899 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2C[C@H](C)CC[C@H]2C[NH3+])CC1 ZINC001246557986 1039396311 /nfs/dbraw/zinc/39/63/11/1039396311.db2.gz NIJLYSBEXOXJLP-AEFFLSMTSA-N 1 3 361.530 2.727 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]1CNCCC2 ZINC001246599928 1039410556 /nfs/dbraw/zinc/41/05/56/1039410556.db2.gz CDSZZPRXRFZZHG-FTRWYGJKSA-N 1 3 362.901 2.672 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]1CNCCC2 ZINC001246599928 1039410566 /nfs/dbraw/zinc/41/05/66/1039410566.db2.gz CDSZZPRXRFZZHG-FTRWYGJKSA-N 1 3 362.901 2.672 20 0 FFADHO O=C1CC[C@H](N2CCN(c3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC001258581760 1039439571 /nfs/dbraw/zinc/43/95/71/1039439571.db2.gz RUQJEYSBBRINCV-FQEVSTJZSA-N 1 3 364.493 2.785 20 0 FFADHO O=C1CC[C@H]([NH+]2CCN(c3ccncc3)CC2)CCN1Cc1ccccc1 ZINC001258581760 1039439578 /nfs/dbraw/zinc/43/95/78/1039439578.db2.gz RUQJEYSBBRINCV-FQEVSTJZSA-N 1 3 364.493 2.785 20 0 FFADHO O=C(c1ccsc1)N1CCC[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246725449 1039452096 /nfs/dbraw/zinc/45/20/96/1039452096.db2.gz YYZPUZZIPYTQMG-WMWLNJEOSA-N 1 3 359.539 2.959 20 0 FFADHO CC(C)[C@@H]1C[C@H](N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]1 ZINC001246749005 1039463753 /nfs/dbraw/zinc/46/37/53/1039463753.db2.gz QJVPGYDRIAHJAU-JYRKZWEQSA-N 1 3 361.505 2.740 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+]([C@@H](C)Cc3cccc(Cl)c3)C[C@H]1CNCC2 ZINC001246856148 1039504524 /nfs/dbraw/zinc/50/45/24/1039504524.db2.gz SBEMAVGOKYBPNH-ZSZQSSIHSA-N 1 3 350.890 2.746 20 0 FFADHO CCOC(=O)[C@]12C[N@H+]([C@@H](C)Cc3cccc(Cl)c3)C[C@H]1CNCC2 ZINC001246856148 1039504536 /nfs/dbraw/zinc/50/45/36/1039504536.db2.gz SBEMAVGOKYBPNH-ZSZQSSIHSA-N 1 3 350.890 2.746 20 0 FFADHO C[C@H](Cc1cccc(Br)c1)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001246887944 1039520692 /nfs/dbraw/zinc/52/06/92/1039520692.db2.gz RCNVWWOJIKJXFB-OAHLLOKOSA-N 1 3 366.347 2.750 20 0 FFADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258848652 1039536446 /nfs/dbraw/zinc/53/64/46/1039536446.db2.gz QKXFVQPMIZOELC-LJQANCHMSA-N 1 3 354.498 2.532 20 0 FFADHO CC[C@H](Cc1ccccc1)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258848652 1039536458 /nfs/dbraw/zinc/53/64/58/1039536458.db2.gz QKXFVQPMIZOELC-LJQANCHMSA-N 1 3 354.498 2.532 20 0 FFADHO COCC[N@H+](C1CCC(OC(=O)c2ccccc2)CC1)[C@H]1CCCNC1 ZINC001246931670 1039538353 /nfs/dbraw/zinc/53/83/53/1039538353.db2.gz XVFOUWAAYGVGQF-GPJFCIFZSA-N 1 3 360.498 2.855 20 0 FFADHO COCC[N@@H+](C1CCC(OC(=O)c2ccccc2)CC1)[C@H]1CCCNC1 ZINC001246931670 1039538363 /nfs/dbraw/zinc/53/83/63/1039538363.db2.gz XVFOUWAAYGVGQF-GPJFCIFZSA-N 1 3 360.498 2.855 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001210497647 1039581980 /nfs/dbraw/zinc/58/19/80/1039581980.db2.gz GHSXBJJVQBVZHR-OXQOHEQNSA-N 1 3 356.514 2.836 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001210497647 1039581988 /nfs/dbraw/zinc/58/19/88/1039581988.db2.gz GHSXBJJVQBVZHR-OXQOHEQNSA-N 1 3 356.514 2.836 20 0 FFADHO O[C@@H](COCc1ccco1)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001252637707 1039620925 /nfs/dbraw/zinc/62/09/25/1039620925.db2.gz SZRGBXKALLFGFE-LJQANCHMSA-N 1 3 374.481 2.738 20 0 FFADHO Cc1cc(CN2CCC3(CCC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)n[nH]1 ZINC001278487428 1039774363 /nfs/dbraw/zinc/77/43/63/1039774363.db2.gz NERYOGXNHQNTBZ-UHFFFAOYSA-N 1 3 355.486 2.697 20 0 FFADHO Cc1cc(CN2CCC3(CCC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)n[nH]1 ZINC001278487428 1039774383 /nfs/dbraw/zinc/77/43/83/1039774383.db2.gz NERYOGXNHQNTBZ-UHFFFAOYSA-N 1 3 355.486 2.697 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001252930735 1039809030 /nfs/dbraw/zinc/80/90/30/1039809030.db2.gz AVCXJFJSQVNJQX-QKNQBKEWSA-N 1 3 374.573 2.921 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001252930735 1039809054 /nfs/dbraw/zinc/80/90/54/1039809054.db2.gz AVCXJFJSQVNJQX-QKNQBKEWSA-N 1 3 374.573 2.921 20 0 FFADHO OC[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001252950826 1039863302 /nfs/dbraw/zinc/86/33/02/1039863302.db2.gz GIKAUEQTXTZBCB-PZJWPPBQSA-N 1 3 374.912 2.643 20 0 FFADHO OC[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001252950826 1039863328 /nfs/dbraw/zinc/86/33/28/1039863328.db2.gz GIKAUEQTXTZBCB-PZJWPPBQSA-N 1 3 374.912 2.643 20 0 FFADHO Fc1ccc(-c2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247829337 1039975041 /nfs/dbraw/zinc/97/50/41/1039975041.db2.gz HLXMDEIHRLJBJS-KRWDZBQOSA-N 1 3 350.397 2.819 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211375067 1040120180 /nfs/dbraw/zinc/12/01/80/1040120180.db2.gz YCJYNXZQSONYKF-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211375067 1040120189 /nfs/dbraw/zinc/12/01/89/1040120189.db2.gz YCJYNXZQSONYKF-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCc1c[nH]c2cc(Br)ccc12 ZINC001253404744 1040157155 /nfs/dbraw/zinc/15/71/55/1040157155.db2.gz GCZPCNWEVWEDFA-AWEZNQCLSA-N 1 3 368.319 2.812 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccncc3Cl)CC2)C1 ZINC001278731384 1040251043 /nfs/dbraw/zinc/25/10/43/1040251043.db2.gz HMTZVJQIVDUEMA-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccncc3Cl)CC2)C1 ZINC001278731384 1040251055 /nfs/dbraw/zinc/25/10/55/1040251055.db2.gz HMTZVJQIVDUEMA-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC001248468146 1040290123 /nfs/dbraw/zinc/29/01/23/1040290123.db2.gz AZBAVQFHPYKHAB-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO O=C1[C@@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCN1C1CC1 ZINC001253794519 1040371143 /nfs/dbraw/zinc/37/11/43/1040371143.db2.gz PGZXJBSERLZZAY-FQEVSTJZSA-N 1 3 353.510 2.738 20 0 FFADHO O=C1[C@@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1C1CC1 ZINC001253794519 1040371159 /nfs/dbraw/zinc/37/11/59/1040371159.db2.gz PGZXJBSERLZZAY-FQEVSTJZSA-N 1 3 353.510 2.738 20 0 FFADHO OC1(CNCc2cncn2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254052442 1040555063 /nfs/dbraw/zinc/55/50/63/1040555063.db2.gz INVCYMUONBRHJN-UHFFFAOYSA-N 1 3 354.498 2.725 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)CC1 ZINC001254522707 1040772461 /nfs/dbraw/zinc/77/24/61/1040772461.db2.gz PCUDQKLDMIOGBH-UWHLTILDSA-N 1 3 359.514 2.562 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)CC1 ZINC001254522707 1040772474 /nfs/dbraw/zinc/77/24/74/1040772474.db2.gz PCUDQKLDMIOGBH-UWHLTILDSA-N 1 3 359.514 2.562 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001254773941 1040943449 /nfs/dbraw/zinc/94/34/49/1040943449.db2.gz PAEQUQABJBZTAZ-GOSISDBHSA-N 1 3 372.513 2.993 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH+]1CCN(c3ccncc3)CC1)C2 ZINC001254773941 1040943470 /nfs/dbraw/zinc/94/34/70/1040943470.db2.gz PAEQUQABJBZTAZ-GOSISDBHSA-N 1 3 372.513 2.993 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccc3cc(F)ccc3n1)C2 ZINC001278812360 1040949006 /nfs/dbraw/zinc/94/90/06/1040949006.db2.gz KSDYDPIEMDZLLT-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)C1 ZINC001254998413 1041092983 /nfs/dbraw/zinc/09/29/83/1041092983.db2.gz XKBLEWQDRLUOSB-BTHZBSGWSA-N 1 3 357.542 2.881 20 0 FFADHO c1ccc(CN2CC[C@@H]([N@@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001255111206 1041146482 /nfs/dbraw/zinc/14/64/82/1041146482.db2.gz PRPAUFKYQFNILA-JOCHJYFZSA-N 1 3 350.510 2.864 20 0 FFADHO c1ccc(CN2CC[C@@H]([N@H+]3CCCN(Cc4ccncc4)CC3)C2)cc1 ZINC001255111206 1041146488 /nfs/dbraw/zinc/14/64/88/1041146488.db2.gz PRPAUFKYQFNILA-JOCHJYFZSA-N 1 3 350.510 2.864 20 0 FFADHO Cn1cc2c(n1)[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)OCC2 ZINC001255122250 1041157423 /nfs/dbraw/zinc/15/74/23/1041157423.db2.gz NVCPOZYQKJGJEB-WOZUAGRISA-N 1 3 366.509 2.819 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cccc4c3OCO4)CC2)C1 ZINC001278842957 1041163818 /nfs/dbraw/zinc/16/38/18/1041163818.db2.gz IPPWKWYKIAEOEE-UHFFFAOYSA-N 1 3 359.514 2.655 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cccc4c3OCO4)CC2)C1 ZINC001278842957 1041163824 /nfs/dbraw/zinc/16/38/24/1041163824.db2.gz IPPWKWYKIAEOEE-UHFFFAOYSA-N 1 3 359.514 2.655 20 0 FFADHO c1ccc(CN2CCC[C@H]([NH2+]CC3CCN(C4COC4)CC3)CC2)cc1 ZINC001255396019 1041317811 /nfs/dbraw/zinc/31/78/11/1041317811.db2.gz GOMKEOHXVFPRGP-NRFANRHFSA-N 1 3 357.542 2.742 20 0 FFADHO COc1ccc([C@H](N)[C@@H]([NH2+][C@@H]2CCN(C)C2)c2ccc(OC)cc2)cc1 ZINC001255424648 1041335503 /nfs/dbraw/zinc/33/55/03/1041335503.db2.gz ZJRSONIGDAPQHC-QMMLZNLJSA-N 1 3 355.482 2.739 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001214997636 1041639080 /nfs/dbraw/zinc/63/90/80/1041639080.db2.gz KNLNIACVHFMBHM-CXAGYDPISA-N 1 3 353.457 2.632 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001214997636 1041639085 /nfs/dbraw/zinc/63/90/85/1041639085.db2.gz KNLNIACVHFMBHM-CXAGYDPISA-N 1 3 353.457 2.632 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001214999866 1041640002 /nfs/dbraw/zinc/64/00/02/1041640002.db2.gz QOFHEPPXJSVQHI-IEBWSBKVSA-N 1 3 367.578 2.893 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)C(C)(C)[C@H]3c3ccncc3)C[C@H]2C1 ZINC001262482884 1041700587 /nfs/dbraw/zinc/70/05/87/1041700587.db2.gz OUYYXAQHPTUFAP-NCXUSEDFSA-N 1 3 356.514 2.611 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001215550570 1041824884 /nfs/dbraw/zinc/82/48/84/1041824884.db2.gz BBLDRLUJUKVRIY-SJLPKXTDSA-N 1 3 363.571 2.849 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001215973231 1041920318 /nfs/dbraw/zinc/92/03/18/1041920318.db2.gz YJKBFTQRRFPAQY-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2scnc2C)C1 ZINC001215972877 1041920329 /nfs/dbraw/zinc/92/03/29/1041920329.db2.gz AZQRVANZKRGUAY-NVXWUHKLSA-N 1 3 366.575 2.900 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842655 1042141451 /nfs/dbraw/zinc/14/14/51/1042141451.db2.gz JOSXPQDZSBFGDD-YLJYHZDGSA-N 1 3 361.530 2.613 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001216851624 1042143547 /nfs/dbraw/zinc/14/35/47/1042143547.db2.gz COUMTXCQIUSHIN-HBUWYVDXSA-N 1 3 353.457 2.803 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001263648186 1042417792 /nfs/dbraw/zinc/41/77/92/1042417792.db2.gz KTEYRNOGFLCSTN-PMACEKPBSA-N 1 3 371.529 2.577 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001263648186 1042417793 /nfs/dbraw/zinc/41/77/93/1042417793.db2.gz KTEYRNOGFLCSTN-PMACEKPBSA-N 1 3 371.529 2.577 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001263886040 1042508984 /nfs/dbraw/zinc/50/89/84/1042508984.db2.gz WIMWOPUQKPEKKT-VQTJNVASSA-N 1 3 355.526 2.879 20 0 FFADHO CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1cncs1)N(C)C ZINC001264019215 1042585141 /nfs/dbraw/zinc/58/51/41/1042585141.db2.gz UOESUWWBBKKAHT-KBAYOESNSA-N 1 3 366.575 2.980 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cccn4ccnc34)CC2)C1 ZINC001279122327 1042908754 /nfs/dbraw/zinc/90/87/54/1042908754.db2.gz SAYFLQOHRTYXIM-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cccn4ccnc34)CC2)C1 ZINC001279122327 1042908757 /nfs/dbraw/zinc/90/87/57/1042908757.db2.gz SAYFLQOHRTYXIM-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO C[N@H+]1CC[C@H]2CN(Cc3cn4ccc(Br)cc4n3)C[C@H]2CC1 ZINC001279125003 1042909639 /nfs/dbraw/zinc/90/96/39/1042909639.db2.gz DCEUDEUEBWYGLE-OKILXGFUSA-N 1 3 363.303 2.870 20 0 FFADHO C[N@@H+]1CC[C@H]2CN(Cc3cn4ccc(Br)cc4n3)C[C@H]2CC1 ZINC001279125003 1042909641 /nfs/dbraw/zinc/90/96/41/1042909641.db2.gz DCEUDEUEBWYGLE-OKILXGFUSA-N 1 3 363.303 2.870 20 0 FFADHO FC(F)(F)CCCN1C[C@@H]2COC[C@H](C1)N2CCC[NH+]1CCCCC1 ZINC001279275714 1042979704 /nfs/dbraw/zinc/97/97/04/1042979704.db2.gz ZKQJXGQETKOHHK-CALCHBBNSA-N 1 3 363.468 2.590 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CC3CCN2CC3)oc1C ZINC001279343362 1043014286 /nfs/dbraw/zinc/01/42/86/1043014286.db2.gz JXZZADNTVWQEIW-UFYCRDLUSA-N 1 3 357.498 2.556 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CC3CCN2CC3)oc1C ZINC001279343362 1043014290 /nfs/dbraw/zinc/01/42/90/1043014290.db2.gz JXZZADNTVWQEIW-UFYCRDLUSA-N 1 3 357.498 2.556 20 0 FFADHO CCCCc1nc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)c[nH]1 ZINC001279361532 1043027611 /nfs/dbraw/zinc/02/76/11/1043027611.db2.gz ZXULZAFBQZXNPE-NRFANRHFSA-N 1 3 361.578 2.992 20 0 FFADHO CCCCc1nc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)c[nH]1 ZINC001279361532 1043027614 /nfs/dbraw/zinc/02/76/14/1043027614.db2.gz ZXULZAFBQZXNPE-NRFANRHFSA-N 1 3 361.578 2.992 20 0 FFADHO CCCCc1ncc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)[nH]1 ZINC001279361532 1043027617 /nfs/dbraw/zinc/02/76/17/1043027617.db2.gz ZXULZAFBQZXNPE-NRFANRHFSA-N 1 3 361.578 2.992 20 0 FFADHO CCCCc1ncc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)[nH]1 ZINC001279361532 1043027620 /nfs/dbraw/zinc/02/76/20/1043027620.db2.gz ZXULZAFBQZXNPE-NRFANRHFSA-N 1 3 361.578 2.992 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2ccncc2C)CC3)n(C)n1 ZINC001279382787 1043040619 /nfs/dbraw/zinc/04/06/19/1043040619.db2.gz VDGQHRZTYCEEGI-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4scnc4C)C[C@H]3CC2)n(C)n1 ZINC001279408800 1043071550 /nfs/dbraw/zinc/07/15/50/1043071550.db2.gz PGWKAYZMBGLTFT-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4scnc4C)C[C@H]3CC2)n(C)n1 ZINC001279408800 1043071559 /nfs/dbraw/zinc/07/15/59/1043071559.db2.gz PGWKAYZMBGLTFT-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4cncc(F)c4)C[C@H]3CC2)[nH]1 ZINC001279413596 1043079454 /nfs/dbraw/zinc/07/94/54/1043079454.db2.gz MDBUBOMYOHFNOY-CALCHBBNSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4cncc(F)c4)C[C@H]3CC2)[nH]1 ZINC001279413596 1043079461 /nfs/dbraw/zinc/07/94/61/1043079461.db2.gz MDBUBOMYOHFNOY-CALCHBBNSA-N 1 3 356.445 2.665 20 0 FFADHO CCCCc1ccc(CN2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)cc1 ZINC001279415184 1043083820 /nfs/dbraw/zinc/08/38/20/1043083820.db2.gz RTESNZURCIEUHZ-PMACEKPBSA-N 1 3 355.526 2.671 20 0 FFADHO CCCCc1ccc(CN2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)cc1 ZINC001279415184 1043083829 /nfs/dbraw/zinc/08/38/29/1043083829.db2.gz RTESNZURCIEUHZ-PMACEKPBSA-N 1 3 355.526 2.671 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cccc4nccn43)CC2)C1 ZINC001279493926 1043181110 /nfs/dbraw/zinc/18/11/10/1043181110.db2.gz CWILEECHCAXYOF-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cccc4nccn43)CC2)C1 ZINC001279493926 1043181114 /nfs/dbraw/zinc/18/11/14/1043181114.db2.gz CWILEECHCAXYOF-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO COc1ccc(C)cc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279581370 1043290874 /nfs/dbraw/zinc/29/08/74/1043290874.db2.gz AJWDGQFPLHOIMJ-UHFFFAOYSA-N 1 3 354.498 2.798 20 0 FFADHO COc1ccc(CCCN2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]32)cc1 ZINC001279628652 1043366211 /nfs/dbraw/zinc/36/62/11/1043366211.db2.gz BUUYDCBJXYQXQM-PZJWPPBQSA-N 1 3 354.498 2.531 20 0 FFADHO COc1ccc(CCCN2CC[C@H]3C[N@@H+](CCn4ccnc4)C[C@H]32)cc1 ZINC001279628652 1043366220 /nfs/dbraw/zinc/36/62/20/1043366220.db2.gz BUUYDCBJXYQXQM-PZJWPPBQSA-N 1 3 354.498 2.531 20 0 FFADHO Cc1nc(F)ccc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279629956 1043369129 /nfs/dbraw/zinc/36/91/29/1043369129.db2.gz JJDHTVOBCLZILG-UHFFFAOYSA-N 1 3 357.477 2.714 20 0 FFADHO Cc1nc(F)ccc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279629956 1043369130 /nfs/dbraw/zinc/36/91/30/1043369130.db2.gz JJDHTVOBCLZILG-UHFFFAOYSA-N 1 3 357.477 2.714 20 0 FFADHO Cc1cccn2c(CN[C@@]34CC[C@@]([NH2+]CCN(C)C)(C3)CCC4)cnc12 ZINC001279637521 1043378857 /nfs/dbraw/zinc/37/88/57/1043378857.db2.gz MNYPQTPDVLWEKQ-RTWAWAEBSA-N 1 3 355.530 2.729 20 0 FFADHO COc1cc(O)ccc1C[NH2+][C@@]12CC[C@@](NCc3cn[nH]c3)(C1)CCC2 ZINC001279679528 1043455609 /nfs/dbraw/zinc/45/56/09/1043455609.db2.gz ISGQMFOXGOQLQQ-UXHICEINSA-N 1 3 356.470 2.849 20 0 FFADHO COc1cc(Cl)cc(F)c1CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001279681346 1043458029 /nfs/dbraw/zinc/45/80/29/1043458029.db2.gz XTSFTSDKVGCBKX-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc3nccc(Cl)c3c1)C2 ZINC001279705258 1043499928 /nfs/dbraw/zinc/49/99/28/1043499928.db2.gz XWOJIDBQQOPGLU-SJORKVTESA-N 1 3 358.917 2.956 20 0 FFADHO CCSc1ncc2cccc(CN3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)n21 ZINC001279723885 1043531366 /nfs/dbraw/zinc/53/13/66/1043531366.db2.gz WMMYQDOAMXCJSC-OALUTQOASA-N 1 3 373.570 2.657 20 0 FFADHO CCN(C(=O)C1CCN(C2CC[NH+](CCCCOC)CC2)CC1)C(C)C ZINC001279728371 1043541569 /nfs/dbraw/zinc/54/15/69/1043541569.db2.gz ZMZYUQPVYMKGAF-UHFFFAOYSA-N 1 3 367.578 2.846 20 0 FFADHO C[C@@H]1C[C@H]1CN1CCC([NH+]2CCC(C(=O)N3CCCC34CC4)CC2)CC1 ZINC001279826280 1043723472 /nfs/dbraw/zinc/72/34/72/1043723472.db2.gz KLZJAFONPWMTBX-MJGOQNOKSA-N 1 3 359.558 2.974 20 0 FFADHO O=C(NCC(F)F)[C@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001279842469 1043757457 /nfs/dbraw/zinc/75/74/57/1043757457.db2.gz CUHBIQUECXFTRK-APWZRJJASA-N 1 3 357.489 2.736 20 0 FFADHO O=C([C@@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2)N1CCCCO1 ZINC001279844253 1043761258 /nfs/dbraw/zinc/76/12/58/1043761258.db2.gz NJLAWJHJLGAMBS-FPOVZHCZSA-N 1 3 363.546 2.909 20 0 FFADHO Cc1cccc(CNC23CC(C(=O)N4CCC([NH+](C)C)CC4)(C2)C3)c1F ZINC001279973521 1044014587 /nfs/dbraw/zinc/01/45/87/1044014587.db2.gz FBPOJHFBJYYOEJ-UHFFFAOYSA-N 1 3 359.489 2.699 20 0 FFADHO CCOc1cc(F)c(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)c(F)c1 ZINC001278301301 1044154820 /nfs/dbraw/zinc/15/48/20/1044154820.db2.gz PXJKVOUYOIICTK-UHFFFAOYSA-N 1 3 367.484 2.823 20 0 FFADHO O=C(Nc1ccc2cnccc2c1)[C@]12C[C@H]1CCN2CC1CC[NH2+]CC1 ZINC001280137185 1044280156 /nfs/dbraw/zinc/28/01/56/1044280156.db2.gz IJUAPGGSMSEQOJ-NQIIRXRSSA-N 1 3 350.466 2.637 20 0 FFADHO c1ccc(CN2CCC=C(c3ccc(O[C@H]4CCC[NH2+]C4)nn3)C2)cc1 ZINC001240386156 1044325549 /nfs/dbraw/zinc/32/55/49/1044325549.db2.gz CQUIRUIPAGRQFV-IBGZPJMESA-N 1 3 350.466 2.897 20 0 FFADHO CN(C)CCC[N@H+]1C[C@@H]2CCN(Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001280220595 1044413352 /nfs/dbraw/zinc/41/33/52/1044413352.db2.gz GJOKUFAJDGXKIY-HDICACEKSA-N 1 3 355.530 2.658 20 0 FFADHO CN(C)CCC[N@@H+]1C[C@@H]2CCN(Cc3nc4ccccc4[nH]3)CC[C@@H]2C1 ZINC001280220595 1044413357 /nfs/dbraw/zinc/41/33/57/1044413357.db2.gz GJOKUFAJDGXKIY-HDICACEKSA-N 1 3 355.530 2.658 20 0 FFADHO CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(CCCN3CCN(C)CC3)C2)C1 ZINC001280246079 1044461636 /nfs/dbraw/zinc/46/16/36/1044461636.db2.gz PHTMIHJLIBMWOF-OAQYLSRUSA-N 1 3 364.622 2.848 20 0 FFADHO CCCC[C@@H](CC)C[N@H+]1CCC2(CN(CCCN3CCN(C)CC3)C2)C1 ZINC001280246079 1044461640 /nfs/dbraw/zinc/46/16/40/1044461640.db2.gz PHTMIHJLIBMWOF-OAQYLSRUSA-N 1 3 364.622 2.848 20 0 FFADHO C[C@@H](C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1)CC(F)(F)F ZINC001280267723 1044503038 /nfs/dbraw/zinc/50/30/38/1044503038.db2.gz ARQLXGCKGOYPOR-OAHLLOKOSA-N 1 3 363.468 2.841 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C)N1CCCC1 ZINC001316800118 1045024413 /nfs/dbraw/zinc/02/44/13/1045024413.db2.gz SCKHRJRHSNFLDA-HOJAQTOUSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C)N1CCCC1 ZINC001316800118 1045024425 /nfs/dbraw/zinc/02/44/25/1045024425.db2.gz SCKHRJRHSNFLDA-HOJAQTOUSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1n[nH]c(=O)c(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC001318358773 1045280557 /nfs/dbraw/zinc/28/05/57/1045280557.db2.gz HGSFJTKBNVENIP-UHFFFAOYSA-N 1 3 356.470 2.563 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)cc2)CC1 ZINC001318385286 1045287699 /nfs/dbraw/zinc/28/76/99/1045287699.db2.gz HKKJUKWBZXBVQC-LEWJYISDSA-N 1 3 372.557 2.820 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)c2)CC1 ZINC001320350325 1045395071 /nfs/dbraw/zinc/39/50/71/1045395071.db2.gz VQRSOBMZHMUEFU-WOJBJXKFSA-N 1 3 373.545 2.823 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2cccc(F)c2F)CC[N@@H+]1C ZINC001320420496 1045405030 /nfs/dbraw/zinc/40/50/30/1045405030.db2.gz GUFJTIZCBUJVIK-JLJPHGGASA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2cccc(F)c2F)CC[N@H+]1C ZINC001320420496 1045405034 /nfs/dbraw/zinc/40/50/34/1045405034.db2.gz GUFJTIZCBUJVIK-JLJPHGGASA-N 1 3 353.457 2.680 20 0 FFADHO COc1cccc(/C=C\CCN2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001323228443 1045512762 /nfs/dbraw/zinc/51/27/62/1045512762.db2.gz XTUGDUHTMACZGY-YUMNJEHSSA-N 1 3 371.525 2.629 20 0 FFADHO COc1cccc(/C=C\CCN2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001323228443 1045512768 /nfs/dbraw/zinc/51/27/68/1045512768.db2.gz XTUGDUHTMACZGY-YUMNJEHSSA-N 1 3 371.525 2.629 20 0 FFADHO Cc1ccc(CCC[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cn1 ZINC001321495996 1045683678 /nfs/dbraw/zinc/68/36/78/1045683678.db2.gz GRCAQPHIXUURLK-UHFFFAOYSA-N 1 3 352.526 2.860 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)cc2)cn1 ZINC001321500971 1045686478 /nfs/dbraw/zinc/68/64/78/1045686478.db2.gz LFAQEIRCHJWRSR-YADHBBJMSA-N 1 3 368.525 2.945 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C/C=C\c2ccccc2)CC[N@@H+]1C ZINC001328738319 1048443132 /nfs/dbraw/zinc/44/31/32/1048443132.db2.gz SNHFQRRYRJDSJC-SBEHYETDSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)C/C=C\c2ccccc2)CC[N@H+]1C ZINC001328738319 1048443138 /nfs/dbraw/zinc/44/31/38/1048443138.db2.gz SNHFQRRYRJDSJC-SBEHYETDSA-N 1 3 355.526 2.963 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001316649178 1048524914 /nfs/dbraw/zinc/52/49/14/1048524914.db2.gz FYACMZXWPXFBPN-ZWKOTPCHSA-N 1 3 353.551 2.550 20 0 FFADHO CCC1([NH3+])CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC001333584739 1048989699 /nfs/dbraw/zinc/98/96/99/1048989699.db2.gz QWKAJIZPSBLDIF-UHFFFAOYSA-N 1 3 358.530 2.736 20 0 FFADHO COC(=O)[C@H](C)Oc1ccccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001333796584 1049123193 /nfs/dbraw/zinc/12/31/93/1049123193.db2.gz WWUXOGSZTFVTTE-KRWDZBQOSA-N 1 3 360.498 2.935 20 0 FFADHO C[C@@]1(CO)CCCN(CC(C[N@@H+]2CCC[C@@](C)(CO)C2)C2CCCC2)C1 ZINC001330661069 1049257817 /nfs/dbraw/zinc/25/78/17/1049257817.db2.gz KMVNSRNXQWHGOM-FGZHOGPDSA-N 1 3 366.590 2.982 20 0 FFADHO C[C@@]1(CO)CCCN(CC(C[N@H+]2CCC[C@@](C)(CO)C2)C2CCCC2)C1 ZINC001330661069 1049257830 /nfs/dbraw/zinc/25/78/30/1049257830.db2.gz KMVNSRNXQWHGOM-FGZHOGPDSA-N 1 3 366.590 2.982 20 0 FFADHO CN(C)Cc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1C(F)(F)F ZINC001331032479 1049446842 /nfs/dbraw/zinc/44/68/42/1049446842.db2.gz HVNPJYUXZIYQGM-ZDUSSCGKSA-N 1 3 361.433 2.801 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001295977842 1050007822 /nfs/dbraw/zinc/00/78/22/1050007822.db2.gz IWYPGGPBVIYTFV-KURKYZTESA-N 1 3 362.566 2.626 20 0 FFADHO Cc1ccc(NC(=O)COc2ccc(CCC[NH3+])cc2)c(CN(C)C)c1 ZINC001340093510 1050497807 /nfs/dbraw/zinc/49/78/07/1050497807.db2.gz LKJXHYYOPLSSJG-UHFFFAOYSA-N 1 3 355.482 2.965 20 0 FFADHO CN(C)[C@H](CNC(=O)c1ccc([C@@H]2CCCC[NH2+]2)n1C)c1ccccc1 ZINC001340774822 1051125482 /nfs/dbraw/zinc/12/54/82/1051125482.db2.gz VYCOTKUSANHBTO-FXAWDEMLSA-N 1 3 354.498 2.872 20 0 FFADHO O=C(c1cccc2c1OCCNC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001340999363 1051334129 /nfs/dbraw/zinc/33/41/29/1051334129.db2.gz KQZGJMMTDIESTD-UHFFFAOYSA-N 1 3 371.525 2.897 20 0 FFADHO CC(C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303746158 1051439491 /nfs/dbraw/zinc/43/94/91/1051439491.db2.gz JYLCJVSGLNPOEW-GOSISDBHSA-N 1 3 374.577 2.665 20 0 FFADHO CCCN(C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC001342913344 1051523742 /nfs/dbraw/zinc/52/37/42/1051523742.db2.gz AZSIRZXDUMLGDJ-QUCCMNQESA-N 1 3 361.505 2.837 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001304856150 1051740421 /nfs/dbraw/zinc/74/04/21/1051740421.db2.gz KUBHZPCWWVOQEQ-SFHVURJKSA-N 1 3 374.577 2.916 20 0 FFADHO COCC[NH+](CCOC)C1CCN(CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001307749416 1052344587 /nfs/dbraw/zinc/34/45/87/1052344587.db2.gz NSFPLHXVEXLKKV-HXUWFJFHSA-N 1 3 368.562 2.785 20 0 FFADHO C[C@H]1CN(CCC(=O)N2CCCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001308041442 1052391368 /nfs/dbraw/zinc/39/13/68/1052391368.db2.gz UCLUKAOZTUXUNE-SFHVURJKSA-N 1 3 364.493 2.962 20 0 FFADHO O=c1[nH]c2ccccc2cc1CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001308152056 1052418638 /nfs/dbraw/zinc/41/86/38/1052418638.db2.gz SWWGJGVFWIEIEZ-UHFFFAOYSA-N 1 3 355.482 2.753 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC001308330874 1052447041 /nfs/dbraw/zinc/44/70/41/1052447041.db2.gz PNRCPQGAXDHEPO-VQTJNVASSA-N 1 3 354.498 2.853 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](N)C2CCCCC2)c1 ZINC001346102733 1052749293 /nfs/dbraw/zinc/74/92/93/1052749293.db2.gz AOEVLCBQECZAJW-IBGZPJMESA-N 1 3 374.529 2.604 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H](n2cncn2)C1 ZINC001346870329 1053396268 /nfs/dbraw/zinc/39/62/68/1053396268.db2.gz XGXTVABYFMHHRZ-QMMLZNLJSA-N 1 3 368.529 2.905 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC2CC3(CC([NH3+])C3)C2)N2CCCC2)cc1 ZINC001335686501 1053504892 /nfs/dbraw/zinc/50/48/92/1053504892.db2.gz DDAKPQGBRNTNHO-FCOWATRHSA-N 1 3 356.514 2.701 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1ccc(Cl)c(F)c1 ZINC001338504270 1055576030 /nfs/dbraw/zinc/57/60/30/1055576030.db2.gz COVQVADIQIOSLD-GOSISDBHSA-N 1 3 356.869 2.746 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001338529637 1055595522 /nfs/dbraw/zinc/59/55/22/1055595522.db2.gz ODJHEPXRBOBCIN-LEWJYISDSA-N 1 3 357.542 2.932 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001338529637 1055595532 /nfs/dbraw/zinc/59/55/32/1055595532.db2.gz ODJHEPXRBOBCIN-LEWJYISDSA-N 1 3 357.542 2.932 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC001356610442 1055613742 /nfs/dbraw/zinc/61/37/42/1055613742.db2.gz PSYAAQCLUGOKOA-AEFFLSMTSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC001356610442 1055613746 /nfs/dbraw/zinc/61/37/46/1055613746.db2.gz PSYAAQCLUGOKOA-AEFFLSMTSA-N 1 3 354.922 2.928 20 0 FFADHO [NH2+]=C(NCCCNc1ccccn1)NC1CCN(Cc2ccccc2)CC1 ZINC000849070958 1055628427 /nfs/dbraw/zinc/62/84/27/1055628427.db2.gz SCOXGLPDOONKNY-UHFFFAOYSA-N 1 3 366.513 2.662 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(CC[NH3+])cc1 ZINC001357499589 1055925565 /nfs/dbraw/zinc/92/55/65/1055925565.db2.gz OFYKODCVFBBETQ-UHFFFAOYSA-N 1 3 361.436 2.670 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001357559592 1055944024 /nfs/dbraw/zinc/94/40/24/1055944024.db2.gz FUCYEICNWYKRNI-WSTZPKSXSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)cc1 ZINC001352989394 1055998485 /nfs/dbraw/zinc/99/84/85/1055998485.db2.gz RXNPSOUNVVMCRP-UXHICEINSA-N 1 3 364.493 2.977 20 0 FFADHO C[C@H](CNC(=O)[C@H](N)Cc1ccc2cc[nH]c2c1)[N@H+](C)Cc1ccccc1 ZINC001353547841 1056522126 /nfs/dbraw/zinc/52/21/26/1056522126.db2.gz CBMJNORUICINKR-OXQOHEQNSA-N 1 3 364.493 2.674 20 0 FFADHO C[C@H](CNC(=O)[C@H](N)Cc1ccc2cc[nH]c2c1)[N@@H+](C)Cc1ccccc1 ZINC001353547841 1056522139 /nfs/dbraw/zinc/52/21/39/1056522139.db2.gz CBMJNORUICINKR-OXQOHEQNSA-N 1 3 364.493 2.674 20 0 FFADHO S=C(NCCN1CCCCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001200427849 1056665830 /nfs/dbraw/zinc/66/58/30/1056665830.db2.gz LPVGWVCOJJEXFP-GOSISDBHSA-N 1 3 352.592 2.687 20 0 FFADHO C[C@@](O)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000849098766 1056758182 /nfs/dbraw/zinc/75/81/82/1056758182.db2.gz WIYJTTHZEZJTGN-HXUWFJFHSA-N 1 3 372.538 2.734 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)c1ccc(C)cc1 ZINC001442926510 1058171352 /nfs/dbraw/zinc/17/13/52/1058171352.db2.gz VCQMWJMZGIXKMX-SFHVURJKSA-N 1 3 367.484 2.961 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=S)NCC[NH+]3CCCCC3)C2)cc1 ZINC001200445846 1058211985 /nfs/dbraw/zinc/21/19/85/1058211985.db2.gz HEEKNXIDNQMHSY-IBGZPJMESA-N 1 3 360.571 2.519 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001502256268 1058793377 /nfs/dbraw/zinc/79/33/77/1058793377.db2.gz WPXNLAAWBCSBGA-IAGOWNOFSA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001502256268 1058793395 /nfs/dbraw/zinc/79/33/95/1058793395.db2.gz WPXNLAAWBCSBGA-IAGOWNOFSA-N 1 3 374.577 2.949 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(Cl)cc1N ZINC001300647218 1059142507 /nfs/dbraw/zinc/14/25/07/1059142507.db2.gz OMOOVZHFTUYGLV-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(Cl)cc1N ZINC001300647218 1059142514 /nfs/dbraw/zinc/14/25/14/1059142514.db2.gz OMOOVZHFTUYGLV-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCc1c(F)cccc1Cl ZINC001505922624 1059417382 /nfs/dbraw/zinc/41/73/82/1059417382.db2.gz QSWOXPVZYOVSDZ-RRFJBIMHSA-N 1 3 369.912 2.798 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCc1c(F)cccc1Cl ZINC001505922624 1059417391 /nfs/dbraw/zinc/41/73/91/1059417391.db2.gz QSWOXPVZYOVSDZ-RRFJBIMHSA-N 1 3 369.912 2.798 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2C[C@H]2CC[N@H+](CC)C2)C[C@@H]1C ZINC001547659654 1071983092 /nfs/dbraw/zinc/98/30/92/1071983092.db2.gz DRVUMZKHBKNUPD-KSZLIROESA-N 1 3 362.566 2.662 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2C[C@H]2CC[N@@H+](CC)C2)C[C@@H]1C ZINC001547659654 1071983098 /nfs/dbraw/zinc/98/30/98/1071983098.db2.gz DRVUMZKHBKNUPD-KSZLIROESA-N 1 3 362.566 2.662 20 0 FFADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCNC2 ZINC001521409595 1060580339 /nfs/dbraw/zinc/58/03/39/1060580339.db2.gz ZMYIGYQVRYZRNW-UHFFFAOYSA-N 1 3 365.477 2.563 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccc(CC[NH3+])cc3)c(C)c2)CC1 ZINC001521504199 1060623233 /nfs/dbraw/zinc/62/32/33/1060623233.db2.gz PNELYXDKQRIXJO-UHFFFAOYSA-N 1 3 366.509 2.890 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3O)C2)ccn1 ZINC001460506312 1061007107 /nfs/dbraw/zinc/00/71/07/1061007107.db2.gz NFJUWRLUPKEOCK-IOMROCGXSA-N 1 3 361.530 2.926 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@H]3O)C2)ccn1 ZINC001460506312 1061007125 /nfs/dbraw/zinc/00/71/25/1061007125.db2.gz NFJUWRLUPKEOCK-IOMROCGXSA-N 1 3 361.530 2.926 20 0 FFADHO CCc1ccccc1CN[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC001461356076 1061297437 /nfs/dbraw/zinc/29/74/37/1061297437.db2.gz FSMHUNSNVYVGOY-NRFANRHFSA-N 1 3 353.510 2.628 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC001477286630 1061651682 /nfs/dbraw/zinc/65/16/82/1061651682.db2.gz AJUIVJHUQROMBM-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC001477286630 1061651696 /nfs/dbraw/zinc/65/16/96/1061651696.db2.gz AJUIVJHUQROMBM-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H]1C)N1CCc2ccccc2C1 ZINC001477291279 1061654139 /nfs/dbraw/zinc/65/41/39/1061654139.db2.gz JRXMNJTUJYLAAU-XLIONFOSSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H]1C)N1CCc2ccccc2C1 ZINC001477291279 1061654146 /nfs/dbraw/zinc/65/41/46/1061654146.db2.gz JRXMNJTUJYLAAU-XLIONFOSSA-N 1 3 358.530 2.607 20 0 FFADHO CC(C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCN1CC=CCC1 ZINC001359698833 1061669890 /nfs/dbraw/zinc/66/98/90/1061669890.db2.gz MEQIAVPYVQJUHU-LJQANCHMSA-N 1 3 372.561 2.728 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC001462552762 1061670592 /nfs/dbraw/zinc/67/05/92/1061670592.db2.gz IFPCXGSKIRWWSY-GPJFCIFZSA-N 1 3 366.933 2.867 20 0 FFADHO CC(C)[NH2+]C1CCN(c2nnc(C(C)C)n2CCN2CC=CCC2)CC1 ZINC001360305002 1061932861 /nfs/dbraw/zinc/93/28/61/1061932861.db2.gz UNTXKPYLVKBIHN-UHFFFAOYSA-N 1 3 360.550 2.630 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001478919825 1062151648 /nfs/dbraw/zinc/15/16/48/1062151648.db2.gz SYJDLKVKYVVDPO-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001478919825 1062151662 /nfs/dbraw/zinc/15/16/62/1062151662.db2.gz SYJDLKVKYVVDPO-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO CC[C@@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1)OC ZINC001479451763 1062417064 /nfs/dbraw/zinc/41/70/64/1062417064.db2.gz DUGNUQRXKJKTHF-KSZLIROESA-N 1 3 353.551 2.550 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001546447466 1062543488 /nfs/dbraw/zinc/54/34/88/1062543488.db2.gz YFUCBQDEOJRIGF-IRXDYDNUSA-N 1 3 362.566 2.634 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001467845668 1063866610 /nfs/dbraw/zinc/86/66/10/1063866610.db2.gz JSZZVDGYWFBHAM-UXLLHSPISA-N 1 3 351.922 2.974 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCC[NH+]3CCCCC3)C2)cc1 ZINC001467983201 1063898855 /nfs/dbraw/zinc/89/88/55/1063898855.db2.gz XIZZCALNFFNNRS-FQEVSTJZSA-N 1 3 358.530 2.745 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)N(C)C)cc1 ZINC001468017264 1063910297 /nfs/dbraw/zinc/91/02/97/1063910297.db2.gz HZELYNYVVJQKMM-ZCNNSNEGSA-N 1 3 358.530 2.587 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)N(C)C)cc1 ZINC001468017264 1063910306 /nfs/dbraw/zinc/91/03/06/1063910306.db2.gz HZELYNYVVJQKMM-ZCNNSNEGSA-N 1 3 358.530 2.587 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)N2CCCC2)cc1 ZINC001468387630 1063976999 /nfs/dbraw/zinc/97/69/99/1063976999.db2.gz GISPMBQDFLHYMS-SJBKTWHCSA-N 1 3 370.541 2.725 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)N2CCCC2)cc1 ZINC001468387630 1063977007 /nfs/dbraw/zinc/97/70/07/1063977007.db2.gz GISPMBQDFLHYMS-SJBKTWHCSA-N 1 3 370.541 2.725 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001470410723 1064327045 /nfs/dbraw/zinc/32/70/45/1064327045.db2.gz ZEAQXPSNRLRJFB-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001470410723 1064327057 /nfs/dbraw/zinc/32/70/57/1064327057.db2.gz ZEAQXPSNRLRJFB-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105586 1064560663 /nfs/dbraw/zinc/56/06/63/1064560663.db2.gz QWBREKNEAGLETI-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105586 1064560674 /nfs/dbraw/zinc/56/06/74/1064560674.db2.gz QWBREKNEAGLETI-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC001471399269 1064663846 /nfs/dbraw/zinc/66/38/46/1064663846.db2.gz ZMYJJNBPHWCEER-RQXATKFSSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC001471399269 1064663851 /nfs/dbraw/zinc/66/38/51/1064663851.db2.gz ZMYJJNBPHWCEER-RQXATKFSSA-N 1 3 370.541 2.679 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCC1 ZINC001575089081 1078105536 /nfs/dbraw/zinc/10/55/36/1078105536.db2.gz JGXKLCJKDMBXSO-UWJYYQICSA-N 1 3 357.498 2.623 20 0 FFADHO CC(C)(C)N1CCN(c2nnc(C3CCC3)n2CCC[C@H]2CCC[NH2+]2)CC1 ZINC001575140105 1078110807 /nfs/dbraw/zinc/11/08/07/1078110807.db2.gz QFSTUKKGQHIGDQ-GOSISDBHSA-N 1 3 374.577 2.998 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)C1 ZINC001575141270 1078110846 /nfs/dbraw/zinc/11/08/46/1078110846.db2.gz WNBADMRVDHDTJD-BFUOFWGJSA-N 1 3 351.441 2.502 20 0 FFADHO CC(C)C[C@@](C)(C[NH3+])C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001575533763 1078150993 /nfs/dbraw/zinc/15/09/93/1078150993.db2.gz DIIFNDMQECDUGE-NRFANRHFSA-N 1 3 354.498 2.895 20 0 FFADHO O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1CCN(CC2CCCCC2)CC1 ZINC001472499791 1065082547 /nfs/dbraw/zinc/08/25/47/1065082547.db2.gz FTODLVXSVITAHG-IBGZPJMESA-N 1 3 356.514 2.632 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)N(C)C)cc1 ZINC001575648012 1078160537 /nfs/dbraw/zinc/16/05/37/1078160537.db2.gz FJHCQLBVGPLOSO-WCIQWLHISA-N 1 3 358.530 2.680 20 0 FFADHO C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@@H](c1ccccc1)N(C)C ZINC001576224738 1078208451 /nfs/dbraw/zinc/20/84/51/1078208451.db2.gz MGQPPJBNFOBCAJ-KKSFZXQISA-N 1 3 351.494 2.796 20 0 FFADHO CCOC[C@@H]1CC[N@H+](Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001474373714 1065506608 /nfs/dbraw/zinc/50/66/08/1065506608.db2.gz QMIIBZVMWHZPFC-CYBMUJFWSA-N 1 3 356.413 2.928 20 0 FFADHO CCOC[C@@H]1CC[N@@H+](Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001474373714 1065506616 /nfs/dbraw/zinc/50/66/16/1065506616.db2.gz QMIIBZVMWHZPFC-CYBMUJFWSA-N 1 3 356.413 2.928 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](C)[NH3+] ZINC001577026469 1078296126 /nfs/dbraw/zinc/29/61/26/1078296126.db2.gz DCUJENGXHZNPOM-HZPDHXFCSA-N 1 3 350.555 2.697 20 0 FFADHO CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@@H](c1cccs1)N(C)C ZINC001577657945 1078385168 /nfs/dbraw/zinc/38/51/68/1078385168.db2.gz UTQAXVVZIAWQPN-CABCVRRESA-N 1 3 362.547 2.566 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(Cc1cc(C(C)(C)N)no1)Cc1ccncc1 ZINC001577771405 1078398416 /nfs/dbraw/zinc/39/84/16/1078398416.db2.gz XBBVPJYWHFXOOL-KRWDZBQOSA-N 1 3 357.502 2.750 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(Cc1cc(C(C)(C)N)no1)Cc1ccncc1 ZINC001577771405 1078398419 /nfs/dbraw/zinc/39/84/19/1078398419.db2.gz XBBVPJYWHFXOOL-KRWDZBQOSA-N 1 3 357.502 2.750 20 0 FFADHO COc1ccc([C@@H](NC[C@@H](O)C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC001579200394 1078587538 /nfs/dbraw/zinc/58/75/38/1078587538.db2.gz XWHZFWGVJBAGJH-RTWAWAEBSA-N 1 3 358.457 2.874 20 0 FFADHO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1C[C@@H](c1cccs1)N(C)C ZINC001579901448 1078711111 /nfs/dbraw/zinc/71/11/11/1078711111.db2.gz XEBZOVBTIKYPNT-WFVVYAPDSA-N 1 3 374.558 2.670 20 0 FFADHO Cc1noc([C@H]2OCC[C@H]2NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001549608512 1073938137 /nfs/dbraw/zinc/93/81/37/1073938137.db2.gz YLOKYEJFZUAAEI-MOPGFXCFSA-N 1 3 356.470 2.984 20 0 FFADHO O=C(NC1CC([NH+]2CCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001549934406 1074085008 /nfs/dbraw/zinc/08/50/08/1074085008.db2.gz GQNASBBNRJGTIE-QHGAOEGBSA-N 1 3 359.489 2.781 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3cccc4[nH]ccc43)CC2)C1 ZINC001550351768 1074224919 /nfs/dbraw/zinc/22/49/19/1074224919.db2.gz DFAMBNAAVMKGEZ-MRXNPFEDSA-N 1 3 354.498 2.545 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3cnn4c3CCCC4)[C@@H](O)C2)[C@H]1C(C)C ZINC001550353394 1074225983 /nfs/dbraw/zinc/22/59/83/1074225983.db2.gz LNIYLQZWEOTDDP-QCFFRYAUSA-N 1 3 360.546 2.740 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3cnn4c3CCCC4)[C@@H](O)C2)[C@H]1C(C)C ZINC001550353394 1074225985 /nfs/dbraw/zinc/22/59/85/1074225985.db2.gz LNIYLQZWEOTDDP-QCFFRYAUSA-N 1 3 360.546 2.740 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(F)ccc3OC)C2)[C@@H]1C(C)C ZINC001550424159 1074263856 /nfs/dbraw/zinc/26/38/56/1074263856.db2.gz YQJHUKPKWBXWQM-ZULIPRJHSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(F)ccc3OC)C2)[C@@H]1C(C)C ZINC001550424159 1074263857 /nfs/dbraw/zinc/26/38/57/1074263857.db2.gz YQJHUKPKWBXWQM-ZULIPRJHSA-N 1 3 350.478 2.794 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC001550895390 1074521237 /nfs/dbraw/zinc/52/12/37/1074521237.db2.gz MKQKVUFQENIPJK-APIJFGDWSA-N 1 3 361.452 2.590 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC001550895390 1074521243 /nfs/dbraw/zinc/52/12/43/1074521243.db2.gz MKQKVUFQENIPJK-APIJFGDWSA-N 1 3 361.452 2.590 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001550911269 1074527751 /nfs/dbraw/zinc/52/77/51/1074527751.db2.gz GXLFYNAMUBBCBD-SYYKKAFVSA-N 1 3 352.478 2.638 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001550911269 1074527759 /nfs/dbraw/zinc/52/77/59/1074527759.db2.gz GXLFYNAMUBBCBD-SYYKKAFVSA-N 1 3 352.478 2.638 20 0 FFADHO CC1(N2CCOCC2)CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001551162121 1074628448 /nfs/dbraw/zinc/62/84/48/1074628448.db2.gz LAZBUMNYPDPXOU-MOMVYJMYSA-N 1 3 363.546 2.543 20 0 FFADHO CC1(N2CCOCC2)CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001551162121 1074628451 /nfs/dbraw/zinc/62/84/51/1074628451.db2.gz LAZBUMNYPDPXOU-MOMVYJMYSA-N 1 3 363.546 2.543 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CCC2(C[C@H]2[NH3+])CC1)c1ccc(Cl)cc1 ZINC001551545236 1074752047 /nfs/dbraw/zinc/75/20/47/1074752047.db2.gz CICZLSOJCXLVIK-VZDIDWBNSA-N 1 3 364.921 2.902 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CCN1Cc1ccccc1 ZINC001551550493 1074753831 /nfs/dbraw/zinc/75/38/31/1074753831.db2.gz NCDWPHUZVIXMEW-ZXWVYEGYSA-N 1 3 370.541 2.952 20 0 FFADHO CN(CCCC[NH+](C)C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001558178460 1075957122 /nfs/dbraw/zinc/95/71/22/1075957122.db2.gz ICEMKZSQVDKJEJ-GOSISDBHSA-N 1 3 367.484 2.944 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCSC[C@@H]1C1CC1)c1ccccc1 ZINC001560188632 1076243997 /nfs/dbraw/zinc/24/39/97/1076243997.db2.gz QJNPDJYJGOOFGD-RTBURBONSA-N 1 3 361.555 2.623 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCSC[C@@H]1C1CC1)c1ccccc1 ZINC001560188632 1076244000 /nfs/dbraw/zinc/24/40/00/1076244000.db2.gz QJNPDJYJGOOFGD-RTBURBONSA-N 1 3 361.555 2.623 20 0 FFADHO C[C@H]1CCC[N@H+](CCNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001560266169 1076258769 /nfs/dbraw/zinc/25/87/69/1076258769.db2.gz RSZJTMMFMORBJP-AWEZNQCLSA-N 1 3 369.456 2.891 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001560266169 1076258773 /nfs/dbraw/zinc/25/87/73/1076258773.db2.gz RSZJTMMFMORBJP-AWEZNQCLSA-N 1 3 369.456 2.891 20 0 FFADHO COCCCOc1cccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC001560395449 1076270073 /nfs/dbraw/zinc/27/00/73/1076270073.db2.gz OSLYMNFFXZHMBI-LEWJYISDSA-N 1 3 362.514 2.569 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC001561005567 1076318907 /nfs/dbraw/zinc/31/89/07/1076318907.db2.gz DEBUWDDGGMDCRX-KGYZHSKHSA-N 1 3 354.441 2.621 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001567498388 1077032739 /nfs/dbraw/zinc/03/27/39/1077032739.db2.gz GMNOMRLNPNRJAS-WMLDXEAASA-N 1 3 355.885 2.757 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC001567498388 1077032743 /nfs/dbraw/zinc/03/27/43/1077032743.db2.gz GMNOMRLNPNRJAS-WMLDXEAASA-N 1 3 355.885 2.757 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CSc4ccccc43)CC2)CC1 ZINC000118323851 250381249 /nfs/dbraw/zinc/38/12/49/250381249.db2.gz XIJTXVLJXNHICA-SFHVURJKSA-N 1 3 359.539 2.551 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)N(C)C)cc1 ZINC000153509870 251147041 /nfs/dbraw/zinc/14/70/41/251147041.db2.gz PHGIFNVGSIUEPB-SFTDATJTSA-N 1 3 373.541 2.611 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)N(C)C)cc1 ZINC000153509870 251147046 /nfs/dbraw/zinc/14/70/46/251147046.db2.gz PHGIFNVGSIUEPB-SFTDATJTSA-N 1 3 373.541 2.611 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C ZINC000173568405 251208067 /nfs/dbraw/zinc/20/80/67/251208067.db2.gz BBUJTJPALJOHEQ-XLIONFOSSA-N 1 3 358.530 2.907 20 0 FFADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000264606688 251321290 /nfs/dbraw/zinc/32/12/90/251321290.db2.gz GOITVECZZUDSOH-SJLPKXTDSA-N 1 3 369.431 2.509 20 0 FFADHO C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000264606688 251321295 /nfs/dbraw/zinc/32/12/95/251321295.db2.gz GOITVECZZUDSOH-SJLPKXTDSA-N 1 3 369.431 2.509 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000268815254 251392371 /nfs/dbraw/zinc/39/23/71/251392371.db2.gz ICZWSFHNDZCAJH-RDJZCZTQSA-N 1 3 366.502 2.636 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272698209 252105736 /nfs/dbraw/zinc/10/57/36/252105736.db2.gz YCYODZZECAZHHI-PXNSSMCTSA-N 1 3 359.514 2.573 20 0 FFADHO CN(C)CCOc1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000272714513 252110850 /nfs/dbraw/zinc/11/08/50/252110850.db2.gz LGEYUUVJJBXCSY-UHFFFAOYSA-N 1 3 360.527 2.842 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1=CCN(C)CC1 ZINC000272711067 252111079 /nfs/dbraw/zinc/11/10/79/252111079.db2.gz HRWAJYFYPPEWGI-LVCYWYKZSA-N 1 3 370.541 2.989 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1=CCN(C)CC1 ZINC000272711067 252111084 /nfs/dbraw/zinc/11/10/84/252111084.db2.gz HRWAJYFYPPEWGI-LVCYWYKZSA-N 1 3 370.541 2.989 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000272742304 252117262 /nfs/dbraw/zinc/11/72/62/252117262.db2.gz MGXXTNQNQHQBLR-PXNSSMCTSA-N 1 3 356.514 2.601 20 0 FFADHO NC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000273515790 252322328 /nfs/dbraw/zinc/32/23/28/252322328.db2.gz RWFJNJNXKFHFAH-IBGZPJMESA-N 1 3 357.523 2.646 20 0 FFADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000285726225 257001572 /nfs/dbraw/zinc/00/15/72/257001572.db2.gz QJPHWBSVOBSRTG-OAHLLOKOSA-N 1 3 369.465 2.809 20 0 FFADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000285726221 257001459 /nfs/dbraw/zinc/00/14/59/257001459.db2.gz QJPHWBSVOBSRTG-HNNXBMFYSA-N 1 3 369.465 2.809 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c(OCCN(C)C)c1 ZINC000277008105 256151532 /nfs/dbraw/zinc/15/15/32/256151532.db2.gz AMRNJJZEAGYAJQ-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000278224006 256289509 /nfs/dbraw/zinc/28/95/09/256289509.db2.gz SMYJKUVCDSYNCJ-UXHICEINSA-N 1 3 356.514 2.605 20 0 FFADHO COCCOc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278413022 256310086 /nfs/dbraw/zinc/31/00/86/256310086.db2.gz FOEBICDYSYCDAZ-QZTJIDSGSA-N 1 3 350.503 2.863 20 0 FFADHO COCCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278413022 256310087 /nfs/dbraw/zinc/31/00/87/256310087.db2.gz FOEBICDYSYCDAZ-QZTJIDSGSA-N 1 3 350.503 2.863 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000278605300 256330382 /nfs/dbraw/zinc/33/03/82/256330382.db2.gz RBUWDWBMEDHYSO-MSOLQXFVSA-N 1 3 359.514 2.965 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000278605300 256330383 /nfs/dbraw/zinc/33/03/83/256330383.db2.gz RBUWDWBMEDHYSO-MSOLQXFVSA-N 1 3 359.514 2.965 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1CC[NH2+]CC1 ZINC000286253682 257027912 /nfs/dbraw/zinc/02/79/12/257027912.db2.gz VGRGXFWZARGLGK-UHFFFAOYSA-N 1 3 371.447 2.985 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287804421 257114886 /nfs/dbraw/zinc/11/48/86/257114886.db2.gz JDCPASTUPIDKNO-LSTHTHJFSA-N 1 3 361.530 2.587 20 0 FFADHO C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000287520988 257093812 /nfs/dbraw/zinc/09/38/12/257093812.db2.gz IELYUVZYNDPECD-UZLBHIALSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289787133 257299595 /nfs/dbraw/zinc/29/95/95/257299595.db2.gz LQHBMFCJGUIYCI-NZSAHSFTSA-N 1 3 358.482 2.775 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289787133 257299596 /nfs/dbraw/zinc/29/95/96/257299596.db2.gz LQHBMFCJGUIYCI-NZSAHSFTSA-N 1 3 358.482 2.775 20 0 FFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000290158175 257317969 /nfs/dbraw/zinc/31/79/69/257317969.db2.gz NSGYEAYNXHSWTJ-WOJBJXKFSA-N 1 3 356.514 2.545 20 0 FFADHO Cc1noc(C2CCC(NCc3ccncc3OCCC[NH+](C)C)CC2)n1 ZINC000293679346 257556867 /nfs/dbraw/zinc/55/68/67/257556867.db2.gz NEHYLMPDDUCSDK-UHFFFAOYSA-N 1 3 373.501 2.920 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@H+](CC)CC3)c(C)c2)CC1 ZINC000299639785 258012807 /nfs/dbraw/zinc/01/28/07/258012807.db2.gz PTHCKKQMBCPQMT-UHFFFAOYSA-N 1 3 373.545 2.696 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@@H+](CC)CC3)c(C)c2)CC1 ZINC000299639785 258012808 /nfs/dbraw/zinc/01/28/08/258012808.db2.gz PTHCKKQMBCPQMT-UHFFFAOYSA-N 1 3 373.545 2.696 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000311264829 258115497 /nfs/dbraw/zinc/11/54/97/258115497.db2.gz AFSGUFSBUGJNLB-BRSBDYLESA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000311264829 258115498 /nfs/dbraw/zinc/11/54/98/258115498.db2.gz AFSGUFSBUGJNLB-BRSBDYLESA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000311264829 258115499 /nfs/dbraw/zinc/11/54/99/258115499.db2.gz AFSGUFSBUGJNLB-BRSBDYLESA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H]1C[C@@H](N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c2ccsc2S1 ZINC000333231079 258257412 /nfs/dbraw/zinc/25/74/12/258257412.db2.gz CAPJMDKYJHPUHF-OFSOMGBPSA-N 1 3 365.568 2.910 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000066174920 506433861 /nfs/dbraw/zinc/43/38/61/506433861.db2.gz KFHWBRPSMDZOBE-HOTGVXAUSA-N 1 3 352.548 2.915 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000066174920 506433869 /nfs/dbraw/zinc/43/38/69/506433869.db2.gz KFHWBRPSMDZOBE-HOTGVXAUSA-N 1 3 352.548 2.915 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377455410 512276448 /nfs/dbraw/zinc/27/64/48/512276448.db2.gz LAFKRWIBHJDTQW-PCCBWWKXSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377455410 512276456 /nfs/dbraw/zinc/27/64/56/512276456.db2.gz LAFKRWIBHJDTQW-PCCBWWKXSA-N 1 3 370.541 2.825 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000066196413 506445214 /nfs/dbraw/zinc/44/52/14/506445214.db2.gz XHABFUBTVZKERO-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000066196413 506445220 /nfs/dbraw/zinc/44/52/20/506445220.db2.gz XHABFUBTVZKERO-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000067541659 506917028 /nfs/dbraw/zinc/91/70/28/506917028.db2.gz DBRFAWIACSYECL-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000067685966 506976676 /nfs/dbraw/zinc/97/66/76/506976676.db2.gz GKYIDZILENWXAI-QUCCMNQESA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000067685966 506976682 /nfs/dbraw/zinc/97/66/82/506976682.db2.gz GKYIDZILENWXAI-QUCCMNQESA-N 1 3 358.530 2.853 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3c[nH]c4ccccc34)CC2)CC1 ZINC000050802010 507716409 /nfs/dbraw/zinc/71/64/09/507716409.db2.gz CHBNIOGICTXTAQ-UHFFFAOYSA-N 1 3 368.525 2.775 20 0 FFADHO C[C@H](c1ccccc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759462 507783331 /nfs/dbraw/zinc/78/33/31/507783331.db2.gz IKHMOFDOSJEELP-QGZVFWFLSA-N 1 3 358.530 2.948 20 0 FFADHO Cc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000051777861 507784597 /nfs/dbraw/zinc/78/45/97/507784597.db2.gz NUSYFLGRXKQKHW-UHFFFAOYSA-N 1 3 358.530 2.661 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000078602081 507887730 /nfs/dbraw/zinc/88/77/30/507887730.db2.gz VJBRJCFXUFSVAO-FQEVSTJZSA-N 1 3 358.530 2.999 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108553272 507904181 /nfs/dbraw/zinc/90/41/81/507904181.db2.gz MWYPDRTXRQGWTR-PMACEKPBSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108553272 507904184 /nfs/dbraw/zinc/90/41/84/507904184.db2.gz MWYPDRTXRQGWTR-PMACEKPBSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000079504129 507969613 /nfs/dbraw/zinc/96/96/13/507969613.db2.gz CTIFTSVXTJMABZ-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000091233139 507972371 /nfs/dbraw/zinc/97/23/71/507972371.db2.gz NKVAUZNPAOHZJA-XLIONFOSSA-N 1 3 373.545 2.670 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000091233139 507972376 /nfs/dbraw/zinc/97/23/76/507972376.db2.gz NKVAUZNPAOHZJA-XLIONFOSSA-N 1 3 373.545 2.670 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000079549290 507974697 /nfs/dbraw/zinc/97/46/97/507974697.db2.gz SRYIPYJCJVWRRA-RBUKOAKNSA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000079549290 507974699 /nfs/dbraw/zinc/97/46/99/507974699.db2.gz SRYIPYJCJVWRRA-RBUKOAKNSA-N 1 3 360.502 2.512 20 0 FFADHO CC(C)[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccnc1 ZINC000091318418 507980196 /nfs/dbraw/zinc/98/01/96/507980196.db2.gz GQYTWBMJNODDJG-FQEVSTJZSA-N 1 3 354.498 2.860 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCN2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165553 508046018 /nfs/dbraw/zinc/04/60/18/508046018.db2.gz WCCMKTIAGJAAKR-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCN2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080165553 508046022 /nfs/dbraw/zinc/04/60/22/508046022.db2.gz WCCMKTIAGJAAKR-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000074833002 508059437 /nfs/dbraw/zinc/05/94/37/508059437.db2.gz HNXVNDUJWAUFFG-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000074833002 508059440 /nfs/dbraw/zinc/05/94/40/508059440.db2.gz HNXVNDUJWAUFFG-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+](CC)CCOC1CCN([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000075007847 508076711 /nfs/dbraw/zinc/07/67/11/508076711.db2.gz BDLUKBXDDZSQFA-GBESFXJTSA-N 1 3 367.578 2.987 20 0 FFADHO C[C@@H](O)C1CCN(Cc2cccc(C[NH+]3CCC([C@@H](C)O)CC3)c2)CC1 ZINC000111288683 508087139 /nfs/dbraw/zinc/08/71/39/508087139.db2.gz PMRQMVATMPTFRT-QZTJIDSGSA-N 1 3 360.542 2.872 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c(OCCN(C)C)c1 ZINC000081073086 508132543 /nfs/dbraw/zinc/13/25/43/508132543.db2.gz HAAVHSSTJAFUNB-DLBZAZTESA-N 1 3 360.502 2.636 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c(OCCN(C)C)c1 ZINC000081073086 508132544 /nfs/dbraw/zinc/13/25/44/508132544.db2.gz HAAVHSSTJAFUNB-DLBZAZTESA-N 1 3 360.502 2.636 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN(C[C@@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000075834174 508136210 /nfs/dbraw/zinc/13/62/10/508136210.db2.gz VUMXTHDLOYOWHH-UUKMXZOPSA-N 1 3 365.562 2.647 20 0 FFADHO CCn1cc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)cn1 ZINC000112096051 508150185 /nfs/dbraw/zinc/15/01/85/508150185.db2.gz OAYSAVSCFBHJIQ-UHFFFAOYSA-N 1 3 355.530 2.903 20 0 FFADHO CCn1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000112096858 508150212 /nfs/dbraw/zinc/15/02/12/508150212.db2.gz KPVAGKZIOWOHDF-UHFFFAOYSA-N 1 3 355.530 2.591 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000093769449 508154250 /nfs/dbraw/zinc/15/42/50/508154250.db2.gz GZSBXLGARUSEHH-UHFFFAOYSA-N 1 3 354.564 2.780 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000093769449 508154252 /nfs/dbraw/zinc/15/42/52/508154252.db2.gz GZSBXLGARUSEHH-UHFFFAOYSA-N 1 3 354.564 2.780 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000093770299 508154424 /nfs/dbraw/zinc/15/44/24/508154424.db2.gz JACDFRHJUNBWGC-HXUWFJFHSA-N 1 3 358.574 2.992 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000093770299 508154426 /nfs/dbraw/zinc/15/44/26/508154426.db2.gz JACDFRHJUNBWGC-HXUWFJFHSA-N 1 3 358.574 2.992 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1F ZINC000076330388 508187507 /nfs/dbraw/zinc/18/75/07/508187507.db2.gz AARLXDOBWUHPEE-ZDUSSCGKSA-N 1 3 372.435 2.984 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1F ZINC000076330388 508187509 /nfs/dbraw/zinc/18/75/09/508187509.db2.gz AARLXDOBWUHPEE-ZDUSSCGKSA-N 1 3 372.435 2.984 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000097177060 508220536 /nfs/dbraw/zinc/22/05/36/508220536.db2.gz UVLYWHDEXQZAPX-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000097177060 508220539 /nfs/dbraw/zinc/22/05/39/508220539.db2.gz UVLYWHDEXQZAPX-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000097395188 508223982 /nfs/dbraw/zinc/22/39/82/508223982.db2.gz CMSURKSNGCYESK-AZUAARDMSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000097395188 508223985 /nfs/dbraw/zinc/22/39/85/508223985.db2.gz CMSURKSNGCYESK-AZUAARDMSA-N 1 3 360.546 2.723 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000098030607 508231339 /nfs/dbraw/zinc/23/13/39/508231339.db2.gz ZXWVNOANBDCNAJ-DLBZAZTESA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)o1 ZINC000098030607 508231342 /nfs/dbraw/zinc/23/13/42/508231342.db2.gz ZXWVNOANBDCNAJ-DLBZAZTESA-N 1 3 364.534 2.782 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000101518534 508242387 /nfs/dbraw/zinc/24/23/87/508242387.db2.gz VJHVEWGWUYHBIO-OAHLLOKOSA-N 1 3 360.477 2.795 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000101518534 508242389 /nfs/dbraw/zinc/24/23/89/508242389.db2.gz VJHVEWGWUYHBIO-OAHLLOKOSA-N 1 3 360.477 2.795 20 0 FFADHO C[N@@H+]1CCCN(CCCNCc2csc(COc3ccccc3)n2)CC1 ZINC000113336908 508261660 /nfs/dbraw/zinc/26/16/60/508261660.db2.gz RSUCQNUNLQRBKJ-UHFFFAOYSA-N 1 3 374.554 2.839 20 0 FFADHO C[N@H+]1CCCN(CCCNCc2csc(COc3ccccc3)n2)CC1 ZINC000113336908 508261662 /nfs/dbraw/zinc/26/16/62/508261662.db2.gz RSUCQNUNLQRBKJ-UHFFFAOYSA-N 1 3 374.554 2.839 20 0 FFADHO CC[N@H+](CCNC(=O)NC1CCN(Cc2ccccc2C)CC1)C1CC1 ZINC000101979584 508262965 /nfs/dbraw/zinc/26/29/65/508262965.db2.gz GQELJGPEFLDLMF-UHFFFAOYSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@@H+](CCNC(=O)NC1CCN(Cc2ccccc2C)CC1)C1CC1 ZINC000101979584 508262966 /nfs/dbraw/zinc/26/29/66/508262966.db2.gz GQELJGPEFLDLMF-UHFFFAOYSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@H+](CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000113611021 508276385 /nfs/dbraw/zinc/27/63/85/508276385.db2.gz DTCPYVIYHAOFNG-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000113611021 508276387 /nfs/dbraw/zinc/27/63/87/508276387.db2.gz DTCPYVIYHAOFNG-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CCCC[N@H+](C)CC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000114197224 508299271 /nfs/dbraw/zinc/29/92/71/508299271.db2.gz DICAEAWRQNQOIC-UHFFFAOYSA-N 1 3 356.514 2.947 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000114197224 508299276 /nfs/dbraw/zinc/29/92/76/508299276.db2.gz DICAEAWRQNQOIC-UHFFFAOYSA-N 1 3 356.514 2.947 20 0 FFADHO C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C(C)(C)C[NH+](C)C ZINC000085365613 508304126 /nfs/dbraw/zinc/30/41/26/508304126.db2.gz HGASLSOHVUAPEG-INIZCTEOSA-N 1 3 370.607 2.624 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000085457895 508309803 /nfs/dbraw/zinc/30/98/03/508309803.db2.gz TZFFTBFEXPAODP-CEXWTWQISA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000085457895 508309805 /nfs/dbraw/zinc/30/98/05/508309805.db2.gz TZFFTBFEXPAODP-CEXWTWQISA-N 1 3 365.562 2.647 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000103596960 508318453 /nfs/dbraw/zinc/31/84/53/508318453.db2.gz YZKRVZUDMJTSOH-FQEVSTJZSA-N 1 3 360.546 2.835 20 0 FFADHO CC(C)[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1CCCCC1 ZINC000104405761 508333984 /nfs/dbraw/zinc/33/39/84/508333984.db2.gz XTZKEKYGHFIIQC-FQEVSTJZSA-N 1 3 361.530 2.754 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000105075365 508359764 /nfs/dbraw/zinc/35/97/64/508359764.db2.gz SQKZJXUSQFCSLG-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000105274728 508367564 /nfs/dbraw/zinc/36/75/64/508367564.db2.gz QSCPRKIJLYUVRB-GOSISDBHSA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000105274728 508367566 /nfs/dbraw/zinc/36/75/66/508367566.db2.gz QSCPRKIJLYUVRB-GOSISDBHSA-N 1 3 364.534 2.782 20 0 FFADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000121724167 508405048 /nfs/dbraw/zinc/40/50/48/508405048.db2.gz WLMBVRNALOWIJJ-HNNXBMFYSA-N 1 3 368.543 2.871 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152443842 508447686 /nfs/dbraw/zinc/44/76/86/508447686.db2.gz OWLVTLVQHHSDTL-HUUCEWRRSA-N 1 3 351.516 2.583 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152443842 508447688 /nfs/dbraw/zinc/44/76/88/508447688.db2.gz OWLVTLVQHHSDTL-HUUCEWRRSA-N 1 3 351.516 2.583 20 0 FFADHO CC(C)[C@@H](C)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000121923511 508449406 /nfs/dbraw/zinc/44/94/06/508449406.db2.gz KPMWBQNPLVFZKG-MRXNPFEDSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000127437581 508449579 /nfs/dbraw/zinc/44/95/79/508449579.db2.gz WJMDRGICOIFIFW-QGZVFWFLSA-N 1 3 362.518 2.760 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(C(C)(C)C)on3)CC2)CC1 ZINC000121958213 508457049 /nfs/dbraw/zinc/45/70/49/508457049.db2.gz QPDQDCTYDSDPMT-UHFFFAOYSA-N 1 3 363.506 2.652 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCc4occc43)CC2)CC1 ZINC000127495144 508458890 /nfs/dbraw/zinc/45/88/90/508458890.db2.gz PFOGIUOTJYDXME-SFHVURJKSA-N 1 3 360.502 2.515 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133918441 508468403 /nfs/dbraw/zinc/46/84/03/508468403.db2.gz JYIBNHVTJBJTDT-KRWDZBQOSA-N 1 3 361.534 2.638 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133918441 508468407 /nfs/dbraw/zinc/46/84/07/508468407.db2.gz JYIBNHVTJBJTDT-KRWDZBQOSA-N 1 3 361.534 2.638 20 0 FFADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000122067147 508475850 /nfs/dbraw/zinc/47/58/50/508475850.db2.gz OGAYHCHMDFYCMJ-LJQANCHMSA-N 1 3 367.578 2.848 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000122067147 508475852 /nfs/dbraw/zinc/47/58/52/508475852.db2.gz OGAYHCHMDFYCMJ-LJQANCHMSA-N 1 3 367.578 2.848 20 0 FFADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1ccc(F)cc1 ZINC000127796044 508501495 /nfs/dbraw/zinc/50/14/95/508501495.db2.gz GWOCBWAIAKYJJG-NRFANRHFSA-N 1 3 372.484 2.862 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000127923378 508522003 /nfs/dbraw/zinc/52/20/03/508522003.db2.gz BXZKMWAYKBVFNE-RLLQIKCJSA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@H](C)C1 ZINC000127923378 508522007 /nfs/dbraw/zinc/52/20/07/508522007.db2.gz BXZKMWAYKBVFNE-RLLQIKCJSA-N 1 3 360.546 2.531 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000116710526 508550062 /nfs/dbraw/zinc/55/00/62/508550062.db2.gz LKZJMAIVDIEGGQ-HXUWFJFHSA-N 1 3 358.530 2.950 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000128298763 508574505 /nfs/dbraw/zinc/57/45/05/508574505.db2.gz AISJEYIMBKXRQS-CTWPCTMYSA-N 1 3 350.551 2.813 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000129765315 508764044 /nfs/dbraw/zinc/76/40/44/508764044.db2.gz XBRUCMDOWCZXIW-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCCN(CCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000124188258 508794562 /nfs/dbraw/zinc/79/45/62/508794562.db2.gz YVZMFRADUFBOMK-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000130280524 508809368 /nfs/dbraw/zinc/80/93/68/508809368.db2.gz VBYPEHCVIOWIKR-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000154669833 508830520 /nfs/dbraw/zinc/83/05/20/508830520.db2.gz RCHBHWMHSJKHPN-UHIISALHSA-N 1 3 355.276 2.996 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154676602 508832096 /nfs/dbraw/zinc/83/20/96/508832096.db2.gz DPLGAOLEPDZXRI-MRXNPFEDSA-N 1 3 350.507 2.787 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154676602 508832098 /nfs/dbraw/zinc/83/20/98/508832098.db2.gz DPLGAOLEPDZXRI-MRXNPFEDSA-N 1 3 350.507 2.787 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCN2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000124538254 508848111 /nfs/dbraw/zinc/84/81/11/508848111.db2.gz ZBJFREPEPBYPBS-IRLDBZIGSA-N 1 3 358.574 2.827 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1N1CCCCC1 ZINC000119721909 508850463 /nfs/dbraw/zinc/85/04/63/508850463.db2.gz DWVVUTKSSJTUJX-UHFFFAOYSA-N 1 3 361.534 2.634 20 0 FFADHO C[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000130841558 508854498 /nfs/dbraw/zinc/85/44/98/508854498.db2.gz PPYSYZUURZWRLJ-OAHLLOKOSA-N 1 3 356.470 2.968 20 0 FFADHO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)N1CCOCC1 ZINC000120069464 508921313 /nfs/dbraw/zinc/92/13/13/508921313.db2.gz XGNCESFVKFKTRF-GHTZIAJQSA-N 1 3 363.546 2.634 20 0 FFADHO CC[C@@H](C)Oc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000131608833 508953936 /nfs/dbraw/zinc/95/39/36/508953936.db2.gz IXJMXTQTQIAUEQ-MRXNPFEDSA-N 1 3 350.507 2.821 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000155247290 508957552 /nfs/dbraw/zinc/95/75/52/508957552.db2.gz ULAUPZJNESAQSB-YLJYHZDGSA-N 1 3 373.541 2.875 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCN1Cc1ccccc1 ZINC000155275728 508964120 /nfs/dbraw/zinc/96/41/20/508964120.db2.gz UESVGVNULDNPLH-UGKGYDQZSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCN1Cc1ccccc1 ZINC000155275728 508964121 /nfs/dbraw/zinc/96/41/21/508964121.db2.gz UESVGVNULDNPLH-UGKGYDQZSA-N 1 3 370.541 2.825 20 0 FFADHO CCN1CCC(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000120406309 508989697 /nfs/dbraw/zinc/98/96/97/508989697.db2.gz RPGXLMIUWQVWDU-UHFFFAOYSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000120869756 509080082 /nfs/dbraw/zinc/08/00/82/509080082.db2.gz KWVNYHQXNZHQFF-QFBILLFUSA-N 1 3 358.530 2.951 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000120869756 509080086 /nfs/dbraw/zinc/08/00/86/509080086.db2.gz KWVNYHQXNZHQFF-QFBILLFUSA-N 1 3 358.530 2.951 20 0 FFADHO CN(C)Cc1cccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1 ZINC000155988984 509106179 /nfs/dbraw/zinc/10/61/79/509106179.db2.gz MXVJVNMPKUJWKM-UHFFFAOYSA-N 1 3 368.481 2.891 20 0 FFADHO O=C(CCC1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000156006753 509108482 /nfs/dbraw/zinc/10/84/82/509108482.db2.gz NKJKMOARMVECME-UHFFFAOYSA-N 1 3 353.576 2.634 20 0 FFADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c(F)cccc1F ZINC000121315992 509165935 /nfs/dbraw/zinc/16/59/35/509165935.db2.gz MPKBSUFPBSZVON-AWEZNQCLSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)N1CCCCC1 ZINC000248416723 509306574 /nfs/dbraw/zinc/30/65/74/509306574.db2.gz QAWCDTOLDYRBDF-MJUUVYJYSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248544894 509356686 /nfs/dbraw/zinc/35/66/86/509356686.db2.gz DBDXOXJONUIGIM-NBHGPNQESA-N 1 3 374.525 2.872 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCN1C ZINC000163927560 509442422 /nfs/dbraw/zinc/44/24/22/509442422.db2.gz KTOYYSLYSPOEOH-RBBKRZOGSA-N 1 3 358.574 2.657 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCCC[NH+]1CCCCC1 ZINC000176364565 509467860 /nfs/dbraw/zinc/46/78/60/509467860.db2.gz WTCFCZZXQLZQQL-UHFFFAOYSA-N 1 3 352.548 2.697 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176416661 509498191 /nfs/dbraw/zinc/49/81/91/509498191.db2.gz RGXRBRILCBUKJI-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176416661 509498195 /nfs/dbraw/zinc/49/81/95/509498195.db2.gz RGXRBRILCBUKJI-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000267469369 509501973 /nfs/dbraw/zinc/50/19/73/509501973.db2.gz XGMQJPNAKMJVNP-HLAWJBBLSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000267469369 509501978 /nfs/dbraw/zinc/50/19/78/509501978.db2.gz XGMQJPNAKMJVNP-HLAWJBBLSA-N 1 3 372.557 2.880 20 0 FFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000236921280 509533606 /nfs/dbraw/zinc/53/36/06/509533606.db2.gz IUPHEKNNWXDNNZ-KSSFIOAISA-N 1 3 351.491 2.728 20 0 FFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164841890 509538609 /nfs/dbraw/zinc/53/86/09/509538609.db2.gz HDIKILPGTBLXQJ-JTDSTZFVSA-N 1 3 363.571 2.861 20 0 FFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164841890 509538616 /nfs/dbraw/zinc/53/86/16/509538616.db2.gz HDIKILPGTBLXQJ-JTDSTZFVSA-N 1 3 363.571 2.861 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000176493198 509542613 /nfs/dbraw/zinc/54/26/13/509542613.db2.gz QOCZQQYMFRBZCM-VQIMIIECSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000248959622 509555768 /nfs/dbraw/zinc/55/57/68/509555768.db2.gz FUZCQAGALWRGOY-PKOBYXMFSA-N 1 3 358.530 2.633 20 0 FFADHO CN1CCC[C@@H](CNC(=O)CCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237079844 509567431 /nfs/dbraw/zinc/56/74/31/509567431.db2.gz KKHQIHFFWWTSJA-YOEHRIQHSA-N 1 3 357.420 2.943 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3ccnn3C)CC2)c1 ZINC000192637988 509576689 /nfs/dbraw/zinc/57/66/89/509576689.db2.gz DNOXTIIXSZESIX-IBGZPJMESA-N 1 3 355.530 2.982 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2CC[NH+](C(C)C)CC2)c1 ZINC000237243986 509602368 /nfs/dbraw/zinc/60/23/68/509602368.db2.gz PDCQAZNLPRQDHU-OAHLLOKOSA-N 1 3 363.502 2.883 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183126526 509613799 /nfs/dbraw/zinc/61/37/99/509613799.db2.gz UPPYSALFIGHEPM-XPWALMASSA-N 1 3 370.585 2.514 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000237288072 509613985 /nfs/dbraw/zinc/61/39/85/509613985.db2.gz SMZHUYPKFYIAPJ-OALUTQOASA-N 1 3 359.514 2.541 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000237372226 509633401 /nfs/dbraw/zinc/63/34/01/509633401.db2.gz LDWDLKIQJPZOHL-NQIIRXRSSA-N 1 3 351.494 2.852 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000237399133 509639227 /nfs/dbraw/zinc/63/92/27/509639227.db2.gz VOFKCTMAMKHETD-DBXWQHBBSA-N 1 3 373.541 2.814 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000173596073 509666703 /nfs/dbraw/zinc/66/67/03/509666703.db2.gz ULNJQFFIEPGZHW-LEWJYISDSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)CNC[C@H]2CCCO2)CCCC1)c1ccccc1 ZINC000237525157 509669423 /nfs/dbraw/zinc/66/94/23/509669423.db2.gz PLVLXABVMIQEGJ-PKOBYXMFSA-N 1 3 359.514 2.535 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000249499878 509694135 /nfs/dbraw/zinc/69/41/35/509694135.db2.gz WXNPFRSPJMDPJC-LPHOPBHVSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000249499878 509694139 /nfs/dbraw/zinc/69/41/39/509694139.db2.gz WXNPFRSPJMDPJC-LPHOPBHVSA-N 1 3 365.493 2.881 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCCCCCCC[NH+](C)C ZINC000268017678 509719497 /nfs/dbraw/zinc/71/94/97/509719497.db2.gz UKDRCJWCXUEWJC-UHFFFAOYSA-N 1 3 352.523 2.865 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237732255 509720917 /nfs/dbraw/zinc/72/09/17/509720917.db2.gz RORWADCUUFPSKN-QMMLZNLJSA-N 1 3 355.526 2.996 20 0 FFADHO NC1(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000237915267 509773747 /nfs/dbraw/zinc/77/37/47/509773747.db2.gz HTIGLTMAZRLEQG-UHFFFAOYSA-N 1 3 373.541 2.836 20 0 FFADHO O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000238114283 509824272 /nfs/dbraw/zinc/82/42/72/509824272.db2.gz NQUGAZYZJWVWTG-LJQANCHMSA-N 1 3 364.493 2.557 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000170890264 509834125 /nfs/dbraw/zinc/83/41/25/509834125.db2.gz IZGUPKYYCNZAEA-UHFFFAOYSA-N 1 3 372.557 2.725 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000265097628 509860181 /nfs/dbraw/zinc/86/01/81/509860181.db2.gz SGJGYYDCXHDHJR-LEWJYISDSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000265097628 509860186 /nfs/dbraw/zinc/86/01/86/509860186.db2.gz SGJGYYDCXHDHJR-LEWJYISDSA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)s1 ZINC000174002058 509898508 /nfs/dbraw/zinc/89/85/08/509898508.db2.gz DQCSOTGVRMYPSV-AWEZNQCLSA-N 1 3 372.966 2.959 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)s1 ZINC000174002058 509898510 /nfs/dbraw/zinc/89/85/10/509898510.db2.gz DQCSOTGVRMYPSV-AWEZNQCLSA-N 1 3 372.966 2.959 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000174010936 509902417 /nfs/dbraw/zinc/90/24/17/509902417.db2.gz OSOQMBIDXYABIV-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000174010936 509902424 /nfs/dbraw/zinc/90/24/24/509902424.db2.gz OSOQMBIDXYABIV-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Oc3cnccn3)cc2)CC1 ZINC000268409756 509911996 /nfs/dbraw/zinc/91/19/96/509911996.db2.gz HLTYTMCXKRAODJ-UHFFFAOYSA-N 1 3 356.470 2.594 20 0 FFADHO C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000193487095 509935549 /nfs/dbraw/zinc/93/55/49/509935549.db2.gz CGOBTROBRZAWBF-MSOLQXFVSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000255958738 509941537 /nfs/dbraw/zinc/94/15/37/509941537.db2.gz MNPWAHNVRBZKQG-RCLSDMTESA-N 1 3 374.573 2.825 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000255958738 509941544 /nfs/dbraw/zinc/94/15/44/509941544.db2.gz MNPWAHNVRBZKQG-RCLSDMTESA-N 1 3 374.573 2.825 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000190125974 509951754 /nfs/dbraw/zinc/95/17/54/509951754.db2.gz RGLWCNKJQPZJGI-UHFFFAOYSA-N 1 3 361.534 2.671 20 0 FFADHO COC(=O)c1ccccc1CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000186928184 509956647 /nfs/dbraw/zinc/95/66/47/509956647.db2.gz RDAGOGFECPVPEX-QZTJIDSGSA-N 1 3 374.525 2.837 20 0 FFADHO CN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268568063 510013777 /nfs/dbraw/zinc/01/37/77/510013777.db2.gz OPRIAILSRWRMBE-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000174264863 510030440 /nfs/dbraw/zinc/03/04/40/510030440.db2.gz LVISOEPUCSTQMC-XMTFNYHQSA-N 1 3 352.567 2.867 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000174264863 510030447 /nfs/dbraw/zinc/03/04/47/510030447.db2.gz LVISOEPUCSTQMC-XMTFNYHQSA-N 1 3 352.567 2.867 20 0 FFADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1-n1cncn1 ZINC000174316412 510055365 /nfs/dbraw/zinc/05/53/65/510055365.db2.gz ODPPSPZFGNYJNE-HDICACEKSA-N 1 3 357.502 2.555 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000171303823 510068294 /nfs/dbraw/zinc/06/82/94/510068294.db2.gz CKMLTSSHNARCKY-GJZGRUSLSA-N 1 3 352.441 2.777 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261846742 510088368 /nfs/dbraw/zinc/08/83/68/510088368.db2.gz MCXDRQZORLVJMH-PXNSSMCTSA-N 1 3 357.542 2.965 20 0 FFADHO CN1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000245697149 510092656 /nfs/dbraw/zinc/09/26/56/510092656.db2.gz YMXQETBXPDXYCD-OALUTQOASA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)CCN1Cc1ccccc1 ZINC000268880322 510116454 /nfs/dbraw/zinc/11/64/54/510116454.db2.gz MNXOUHZEKLPMGG-IRLDBZIGSA-N 1 3 358.574 2.657 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268889394 510120972 /nfs/dbraw/zinc/12/09/72/510120972.db2.gz YKWCLUPACCHQEI-SFHVURJKSA-N 1 3 361.530 2.675 20 0 FFADHO COCCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245756896 510132960 /nfs/dbraw/zinc/13/29/60/510132960.db2.gz UZCUJFDAVSIBPI-KOUNCHBCSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H](CC(=O)N(C)C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000268919470 510137916 /nfs/dbraw/zinc/13/79/16/510137916.db2.gz JVHHKQFYVDBTCV-GOSISDBHSA-N 1 3 361.530 2.514 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000245878143 510182609 /nfs/dbraw/zinc/18/26/09/510182609.db2.gz AUSDYIWNGANKCP-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000245878143 510182616 /nfs/dbraw/zinc/18/26/16/510182616.db2.gz AUSDYIWNGANKCP-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)CC(C)C ZINC000245877707 510182929 /nfs/dbraw/zinc/18/29/29/510182929.db2.gz ARVNPAWLGYRKEG-GBESFXJTSA-N 1 3 352.567 2.869 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000245897771 510192876 /nfs/dbraw/zinc/19/28/76/510192876.db2.gz KRVXEBWPTKFPJU-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000245897771 510192882 /nfs/dbraw/zinc/19/28/82/510192882.db2.gz KRVXEBWPTKFPJU-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245950827 510225586 /nfs/dbraw/zinc/22/55/86/510225586.db2.gz XAIAJUCOACHIIL-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245950827 510225592 /nfs/dbraw/zinc/22/55/92/510225592.db2.gz XAIAJUCOACHIIL-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000177738089 510226128 /nfs/dbraw/zinc/22/61/28/510226128.db2.gz ZNBHSBBKAADFDF-XLIONFOSSA-N 1 3 361.530 2.615 20 0 FFADHO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174714195 510266165 /nfs/dbraw/zinc/26/61/65/510266165.db2.gz SBMMVESTFJCRNN-MRXNPFEDSA-N 1 3 366.937 2.545 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174787566 510311469 /nfs/dbraw/zinc/31/14/69/510311469.db2.gz NPPONSACBBRUKR-GOSISDBHSA-N 1 3 372.513 2.885 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262647957 510350547 /nfs/dbraw/zinc/35/05/47/510350547.db2.gz PEXSEGAZQPDKSZ-NRSPTQNISA-N 1 3 371.525 2.750 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(Cc2ccccc2)CC1 ZINC000262651043 510353279 /nfs/dbraw/zinc/35/32/79/510353279.db2.gz VHCOSXZQPQMKMF-WMQCIHAUSA-N 1 3 355.526 2.683 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)Cc1ccccc1 ZINC000262674215 510362018 /nfs/dbraw/zinc/36/20/18/510362018.db2.gz QLGXRKFZGQVWNN-NHCUHLMSSA-N 1 3 351.494 2.537 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)Cc1ccccc1 ZINC000262674215 510362026 /nfs/dbraw/zinc/36/20/26/510362026.db2.gz QLGXRKFZGQVWNN-NHCUHLMSSA-N 1 3 351.494 2.537 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C[C@@H](C)O1 ZINC000178033878 510390580 /nfs/dbraw/zinc/39/05/80/510390580.db2.gz NPYWSMOIGXQIEO-RTBURBONSA-N 1 3 360.546 2.525 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000178038778 510393103 /nfs/dbraw/zinc/39/31/03/510393103.db2.gz UQNXULLSDRYFPG-KRWDZBQOSA-N 1 3 362.518 2.741 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000178038778 510393105 /nfs/dbraw/zinc/39/31/05/510393105.db2.gz UQNXULLSDRYFPG-KRWDZBQOSA-N 1 3 362.518 2.741 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)Cn2cc(Br)cn2)C1 ZINC000246266796 510397553 /nfs/dbraw/zinc/39/75/53/510397553.db2.gz AGNSESBBQGEVGJ-CABCVRRESA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)Cn2cc(Br)cn2)C1 ZINC000246266796 510397561 /nfs/dbraw/zinc/39/75/61/510397561.db2.gz AGNSESBBQGEVGJ-CABCVRRESA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)C1 ZINC000246266796 510397567 /nfs/dbraw/zinc/39/75/67/510397567.db2.gz AGNSESBBQGEVGJ-CABCVRRESA-N 1 3 357.340 2.992 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000246276686 510401848 /nfs/dbraw/zinc/40/18/48/510401848.db2.gz JQEUIQPTUPIRMM-YLJYHZDGSA-N 1 3 358.530 2.764 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1(C)C ZINC000262803760 510418502 /nfs/dbraw/zinc/41/85/02/510418502.db2.gz RWLBYDOLKFTFLH-XPIZARPCSA-N 1 3 361.530 2.765 20 0 FFADHO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246319944 510424418 /nfs/dbraw/zinc/42/44/18/510424418.db2.gz NYQXCELRTBGADM-DOTOQJQBSA-N 1 3 352.548 2.772 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1(C)C ZINC000262814634 510425548 /nfs/dbraw/zinc/42/55/48/510425548.db2.gz WFHZZRUIZWNWSC-OPYAIIAOSA-N 1 3 365.562 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CN1C1CC1 ZINC000246347543 510440101 /nfs/dbraw/zinc/44/01/01/510440101.db2.gz OVIBGPCEHNWCTL-QYZOEREBSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(OCCN(C)C)cc1 ZINC000178190039 510479755 /nfs/dbraw/zinc/47/97/55/510479755.db2.gz ATSPRBAZRDJNAG-MJGOQNOKSA-N 1 3 369.513 2.737 20 0 FFADHO CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000269670042 510505428 /nfs/dbraw/zinc/50/54/28/510505428.db2.gz ANMWHSMBKIKGKJ-FGTMMUONSA-N 1 3 369.509 2.915 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@@H](C)C1 ZINC000246474591 510507328 /nfs/dbraw/zinc/50/73/28/510507328.db2.gz QHPJMIAVBODNAE-IHPCNDPISA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@@H](C)C1 ZINC000246474591 510507335 /nfs/dbraw/zinc/50/73/35/510507335.db2.gz QHPJMIAVBODNAE-IHPCNDPISA-N 1 3 360.546 2.531 20 0 FFADHO C[C@@H]([NH3+])c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000178248626 510508978 /nfs/dbraw/zinc/50/89/78/510508978.db2.gz SMCYFIYHWKSPGT-QGZVFWFLSA-N 1 3 352.482 2.857 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000269705167 510519805 /nfs/dbraw/zinc/51/98/05/510519805.db2.gz QGVQHANHNGDTMZ-GOSISDBHSA-N 1 3 373.545 2.733 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000269705167 510519812 /nfs/dbraw/zinc/51/98/12/510519812.db2.gz QGVQHANHNGDTMZ-GOSISDBHSA-N 1 3 373.545 2.733 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000269718532 510524693 /nfs/dbraw/zinc/52/46/93/510524693.db2.gz SVXNBAMUFHPVKM-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000269718532 510524699 /nfs/dbraw/zinc/52/46/99/510524699.db2.gz SVXNBAMUFHPVKM-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc([S@@](C)=O)cc1 ZINC000246526054 510537714 /nfs/dbraw/zinc/53/77/14/510537714.db2.gz VARICFYMPJAFQF-BQVUBFBJSA-N 1 3 364.555 2.843 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000246577541 510565774 /nfs/dbraw/zinc/56/57/74/510565774.db2.gz ZRBZGBWEUQGQJM-AZUAARDMSA-N 1 3 360.546 2.971 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000246577541 510565781 /nfs/dbraw/zinc/56/57/81/510565781.db2.gz ZRBZGBWEUQGQJM-AZUAARDMSA-N 1 3 360.546 2.971 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])N2CCCC2)cc1 ZINC000263116570 510569423 /nfs/dbraw/zinc/56/94/23/510569423.db2.gz APOSKGFGKBNFEU-SVFBPWRDSA-N 1 3 359.514 2.856 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246586781 510570708 /nfs/dbraw/zinc/57/07/08/510570708.db2.gz ZYSASEFYLKASOK-NSHGMRRFSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246586781 510570719 /nfs/dbraw/zinc/57/07/19/510570719.db2.gz ZYSASEFYLKASOK-NSHGMRRFSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000246647398 510601237 /nfs/dbraw/zinc/60/12/37/510601237.db2.gz VBJDASZKCJPEIU-GTAWCEEGSA-N 1 3 358.530 2.821 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1(C)C ZINC000188123770 510606698 /nfs/dbraw/zinc/60/66/98/510606698.db2.gz KSSHGFSVSYMURQ-NQIIRXRSSA-N 1 3 361.530 2.676 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1(C)C ZINC000188123770 510606709 /nfs/dbraw/zinc/60/67/09/510606709.db2.gz KSSHGFSVSYMURQ-NQIIRXRSSA-N 1 3 361.530 2.676 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000246665488 510607878 /nfs/dbraw/zinc/60/78/78/510607878.db2.gz WTDPZXBVIBWTQG-MISYRCLQSA-N 1 3 356.514 2.529 20 0 FFADHO NC[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000178688093 510721563 /nfs/dbraw/zinc/72/15/63/510721563.db2.gz ULZWRCGRQKGZDM-NRFANRHFSA-N 1 3 351.494 2.552 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000175771886 510784195 /nfs/dbraw/zinc/78/41/95/510784195.db2.gz IQFLMPXWGDHPDO-IBGZPJMESA-N 1 3 352.567 2.728 20 0 FFADHO Cc1nc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2o1 ZINC000195342769 510794385 /nfs/dbraw/zinc/79/43/85/510794385.db2.gz KRYCKJCFNNEZDM-UHFFFAOYSA-N 1 3 371.485 2.816 20 0 FFADHO C[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000178834150 510796009 /nfs/dbraw/zinc/79/60/09/510796009.db2.gz VDRRGLPBJTURJF-ZWKOTPCHSA-N 1 3 357.542 2.915 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000247120580 510839915 /nfs/dbraw/zinc/83/99/15/510839915.db2.gz PROPMTDSEMZXEI-JCGIZDLHSA-N 1 3 353.532 2.972 20 0 FFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000247264998 510854838 /nfs/dbraw/zinc/85/48/38/510854838.db2.gz ZLESGQKETIBUIX-MMOPVJDHSA-N 1 3 361.530 2.598 20 0 FFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000247264998 510854839 /nfs/dbraw/zinc/85/48/39/510854839.db2.gz ZLESGQKETIBUIX-MMOPVJDHSA-N 1 3 361.530 2.598 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000247339715 510857902 /nfs/dbraw/zinc/85/79/02/510857902.db2.gz NPZJFIFGHHOBQU-IAGOWNOFSA-N 1 3 367.559 2.708 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)C2)C1 ZINC000297892087 511100473 /nfs/dbraw/zinc/10/04/73/511100473.db2.gz RTWMIVBQGWPZHC-QFIPXVFZSA-N 1 3 370.541 2.910 20 0 FFADHO Cc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000282784140 511109811 /nfs/dbraw/zinc/10/98/11/511109811.db2.gz XXLMTRTXHYMQMJ-UHFFFAOYSA-N 1 3 355.530 2.511 20 0 FFADHO CSCC1CCC([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CC1 ZINC000294719380 511154750 /nfs/dbraw/zinc/15/47/50/511154750.db2.gz BSQSQESWMKOAMN-UHFFFAOYSA-N 1 3 363.571 2.989 20 0 FFADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1C1CCCCC1 ZINC000298065451 511163473 /nfs/dbraw/zinc/16/34/73/511163473.db2.gz KLOMORMBZJBSEY-HXUWFJFHSA-N 1 3 356.514 2.964 20 0 FFADHO C[C@H](O)C[C@@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279677527 511174746 /nfs/dbraw/zinc/17/47/46/511174746.db2.gz DZLJKJZOANLQPE-RXVVDRJESA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000333309597 511199284 /nfs/dbraw/zinc/19/92/84/511199284.db2.gz VBPBUHFPUYKCCP-QWFCFKBJSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)CC[N@H+]1C ZINC000333309597 511199288 /nfs/dbraw/zinc/19/92/88/511199288.db2.gz VBPBUHFPUYKCCP-QWFCFKBJSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]([NH2+]CCCOC1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000271471229 511214697 /nfs/dbraw/zinc/21/46/97/511214697.db2.gz ITANNNGFDHJOJH-QGZVFWFLSA-N 1 3 350.503 2.863 20 0 FFADHO CN(Cc1cc(C[N@H+](C)C[C@H]2CCOC2)ccc1F)C[C@@H]1CCOC1 ZINC000294903413 511215245 /nfs/dbraw/zinc/21/52/45/511215245.db2.gz HHFAKQWOVKEBHR-MSOLQXFVSA-N 1 3 350.478 2.762 20 0 FFADHO CN(Cc1cc(C[N@@H+](C)C[C@H]2CCOC2)ccc1F)C[C@@H]1CCOC1 ZINC000294903413 511215253 /nfs/dbraw/zinc/21/52/53/511215253.db2.gz HHFAKQWOVKEBHR-MSOLQXFVSA-N 1 3 350.478 2.762 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000271508693 511228586 /nfs/dbraw/zinc/22/85/86/511228586.db2.gz NJIBHKHOCXOQAM-MSYGRNIXSA-N 1 3 371.569 2.864 20 0 FFADHO CN1CCC(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000291569184 511249635 /nfs/dbraw/zinc/24/96/35/511249635.db2.gz SOTCNUCHTAATTR-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO CN1CCC(CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000291569184 511249641 /nfs/dbraw/zinc/24/96/41/511249641.db2.gz SOTCNUCHTAATTR-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000295127915 511291132 /nfs/dbraw/zinc/29/11/32/511291132.db2.gz YDCGXGOBTIBNEG-HNSVSWJLSA-N 1 3 361.486 2.636 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000295127915 511291136 /nfs/dbraw/zinc/29/11/36/511291136.db2.gz YDCGXGOBTIBNEG-HNSVSWJLSA-N 1 3 361.486 2.636 20 0 FFADHO O=C(CCC[NH2+]C1CCN(c2ccncc2)CC1)N1Cc2ccccc2C1 ZINC000298494788 511304512 /nfs/dbraw/zinc/30/45/12/511304512.db2.gz QEMDAUHKOBSDML-UHFFFAOYSA-N 1 3 364.493 2.963 20 0 FFADHO CN1CCC(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000291752946 511322213 /nfs/dbraw/zinc/32/22/13/511322213.db2.gz URXXNXHNQUHJOR-UHFFFAOYSA-N 1 3 358.530 2.887 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000363065293 511330497 /nfs/dbraw/zinc/33/04/97/511330497.db2.gz XAUGBRJFNGHIPM-LJQANCHMSA-N 1 3 361.505 2.838 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000271808959 511332381 /nfs/dbraw/zinc/33/23/81/511332381.db2.gz YNHPVTMKULPWMR-INIZCTEOSA-N 1 3 353.304 2.947 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363141529 511378743 /nfs/dbraw/zinc/37/87/43/511378743.db2.gz XCJUOJKAMPFHAP-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363141529 511378745 /nfs/dbraw/zinc/37/87/45/511378745.db2.gz XCJUOJKAMPFHAP-RBUKOAKNSA-N 1 3 362.493 2.526 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333889948 511383473 /nfs/dbraw/zinc/38/34/73/511383473.db2.gz GRIZDUGKWZIMMO-HFSMHLIXSA-N 1 3 370.541 2.647 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000283563530 511415669 /nfs/dbraw/zinc/41/56/69/511415669.db2.gz IMJVCSSOMLLFBO-KBXCAEBGSA-N 1 3 364.921 2.892 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000283563530 511415672 /nfs/dbraw/zinc/41/56/72/511415672.db2.gz IMJVCSSOMLLFBO-KBXCAEBGSA-N 1 3 364.921 2.892 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000273671048 511569247 /nfs/dbraw/zinc/56/92/47/511569247.db2.gz XUVJITDHHXFFGD-MSOLQXFVSA-N 1 3 360.546 2.879 20 0 FFADHO CN(c1ccccc1)c1ccc(CNCCN2CCC([NH+](C)C)CC2)cn1 ZINC000280726307 511579063 /nfs/dbraw/zinc/57/90/63/511579063.db2.gz VJGWKKGJBRCLFZ-UHFFFAOYSA-N 1 3 367.541 2.965 20 0 FFADHO Cn1ccnc1[C@@H]1CCCN(CCC[N@@H+]2CCC[C@H](c3nccn3C)C2)C1 ZINC000365676162 511596187 /nfs/dbraw/zinc/59/61/87/511596187.db2.gz XGEZHDAWICTYON-KDURUIRLSA-N 1 3 370.545 2.603 20 0 FFADHO Cn1ccnc1[C@@H]1CCCN(CCC[N@H+]2CCC[C@H](c3nccn3C)C2)C1 ZINC000365676162 511596192 /nfs/dbraw/zinc/59/61/92/511596192.db2.gz XGEZHDAWICTYON-KDURUIRLSA-N 1 3 370.545 2.603 20 0 FFADHO Cn1ccnc1[C@@H]1CCC[N@@H+](CCCN2CCC[C@H](c3nccn3C)C2)C1 ZINC000365676162 511596195 /nfs/dbraw/zinc/59/61/95/511596195.db2.gz XGEZHDAWICTYON-KDURUIRLSA-N 1 3 370.545 2.603 20 0 FFADHO Cn1ccnc1[C@@H]1CCC[N@H+](CCCN2CCC[C@H](c3nccn3C)C2)C1 ZINC000365676162 511596201 /nfs/dbraw/zinc/59/62/01/511596201.db2.gz XGEZHDAWICTYON-KDURUIRLSA-N 1 3 370.545 2.603 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284368566 511699235 /nfs/dbraw/zinc/69/92/35/511699235.db2.gz OEBBKVUGRMFGOD-LSDHHAIUSA-N 1 3 354.926 2.668 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000292831142 511737136 /nfs/dbraw/zinc/73/71/36/511737136.db2.gz UDISGCCEZFNUAO-NRFANRHFSA-N 1 3 359.558 2.896 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000303524916 511742033 /nfs/dbraw/zinc/74/20/33/511742033.db2.gz ZWGISOUFHBSOEK-OALUTQOASA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H](NC(=O)N(C)CCN(C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274524468 511863742 /nfs/dbraw/zinc/86/37/42/511863742.db2.gz OYPWXXJHYBNKRL-IEBWSBKVSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](NC(=O)N(C)CCN(C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274524468 511863746 /nfs/dbraw/zinc/86/37/46/511863746.db2.gz OYPWXXJHYBNKRL-IEBWSBKVSA-N 1 3 358.530 2.633 20 0 FFADHO Cn1c(Cl)cnc1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000281848689 511988460 /nfs/dbraw/zinc/98/84/60/511988460.db2.gz YZSQKBFVCVSCLF-UHFFFAOYSA-N 1 3 362.905 2.880 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000375695018 512459543 /nfs/dbraw/zinc/45/95/43/512459543.db2.gz YIWRFYLQLDTJAL-UHFFFAOYSA-N 1 3 371.529 2.614 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000367364368 512462723 /nfs/dbraw/zinc/46/27/23/512462723.db2.gz CYZFKTACAAHRBH-GOSISDBHSA-N 1 3 359.489 2.640 20 0 FFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCCN1CCN(c3ccccc3)CC1)C2 ZINC000375756540 512488079 /nfs/dbraw/zinc/48/80/79/512488079.db2.gz JFUMEAWDSVFJJC-CBQGHPETSA-N 1 3 356.558 2.756 20 0 FFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCCN1CCN(c3ccccc3)CC1)C2 ZINC000375756540 512488083 /nfs/dbraw/zinc/48/80/83/512488083.db2.gz JFUMEAWDSVFJJC-CBQGHPETSA-N 1 3 356.558 2.756 20 0 FFADHO CN(CCCN1CCN(c2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375756540 512488087 /nfs/dbraw/zinc/48/80/87/512488087.db2.gz JFUMEAWDSVFJJC-CBQGHPETSA-N 1 3 356.558 2.756 20 0 FFADHO CN(CCCN1CCN(c2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375756540 512488090 /nfs/dbraw/zinc/48/80/90/512488090.db2.gz JFUMEAWDSVFJJC-CBQGHPETSA-N 1 3 356.558 2.756 20 0 FFADHO c1cc(CN2CCN(C[C@@H]3CCOC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411309040 512573870 /nfs/dbraw/zinc/57/38/70/512573870.db2.gz KWIGNDJPUMZYNC-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000371870885 512612300 /nfs/dbraw/zinc/61/23/00/512612300.db2.gz UZSBRMXJERSCHX-RTWAWAEBSA-N 1 3 351.494 2.585 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(N)Cc2ccccc2C1 ZINC000378200045 512636239 /nfs/dbraw/zinc/63/62/39/512636239.db2.gz BWGMSAWHFVZBID-UHFFFAOYSA-N 1 3 351.494 2.641 20 0 FFADHO C[C@@H](NC(=O)N1CCCC12CCN(C)CC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376072798 512648000 /nfs/dbraw/zinc/64/80/00/512648000.db2.gz XECMEQSHDMHIBT-MSOLQXFVSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](NC(=O)N1CCCC12CCN(C)CC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000376072798 512648004 /nfs/dbraw/zinc/64/80/04/512648004.db2.gz XECMEQSHDMHIBT-MSOLQXFVSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)N1CCOCC1 ZINC000411478226 512655063 /nfs/dbraw/zinc/65/50/63/512655063.db2.gz XTYOFPCLYNFHKF-NRFANRHFSA-N 1 3 373.541 2.646 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000369870474 512656794 /nfs/dbraw/zinc/65/67/94/512656794.db2.gz GKOHAYGWZLMUKJ-BFYDXBDKSA-N 1 3 352.548 2.770 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000411563309 512691423 /nfs/dbraw/zinc/69/14/23/512691423.db2.gz QSLKPDIIBOHRSY-NHCUHLMSSA-N 1 3 373.541 2.875 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374199547 512704749 /nfs/dbraw/zinc/70/47/49/512704749.db2.gz PLAIRIKYVNVLPY-OAQYLSRUSA-N 1 3 358.530 2.634 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374199547 512704753 /nfs/dbraw/zinc/70/47/53/512704753.db2.gz PLAIRIKYVNVLPY-OAQYLSRUSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000376231708 512722667 /nfs/dbraw/zinc/72/26/67/512722667.db2.gz JKHDXFKAFDZHSX-WAOWUJCRSA-N 1 3 359.514 2.999 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370128032 512781137 /nfs/dbraw/zinc/78/11/37/512781137.db2.gz CPWNRRNHUMPFOP-PZJWPPBQSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370128032 512781144 /nfs/dbraw/zinc/78/11/44/512781144.db2.gz CPWNRRNHUMPFOP-PZJWPPBQSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378530276 512810206 /nfs/dbraw/zinc/81/02/06/512810206.db2.gz QINXJXQKGOPBAF-WJMWBRGCSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378530276 512810209 /nfs/dbraw/zinc/81/02/09/512810209.db2.gz QINXJXQKGOPBAF-WJMWBRGCSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)[NH+]1CCN(CCCN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000411987354 512902391 /nfs/dbraw/zinc/90/23/91/512902391.db2.gz PNOSIBTUXRZLPA-QFIPXVFZSA-N 1 3 371.525 2.512 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000368403082 512931694 /nfs/dbraw/zinc/93/16/94/512931694.db2.gz QFMDSILRROSBCY-PXNSSMCTSA-N 1 3 373.541 2.790 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000368403082 512931697 /nfs/dbraw/zinc/93/16/97/512931697.db2.gz QFMDSILRROSBCY-PXNSSMCTSA-N 1 3 373.541 2.790 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000397964235 512949983 /nfs/dbraw/zinc/94/99/83/512949983.db2.gz ANSUCWUPNIRNNS-WTNAPCKOSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000397964235 512949988 /nfs/dbraw/zinc/94/99/88/512949988.db2.gz ANSUCWUPNIRNNS-WTNAPCKOSA-N 1 3 363.505 2.900 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c(-c2ccnn2C)c1 ZINC000374693595 512958656 /nfs/dbraw/zinc/95/86/56/512958656.db2.gz XFEMELNFIAWIQR-LJQANCHMSA-N 1 3 367.541 2.654 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000377034909 513095995 /nfs/dbraw/zinc/09/59/95/513095995.db2.gz QGCSTDVSIYAGEE-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000377034909 513095998 /nfs/dbraw/zinc/09/59/98/513095998.db2.gz QGCSTDVSIYAGEE-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CC[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)N1CCc2ccccc2C1 ZINC000445851001 513129404 /nfs/dbraw/zinc/12/94/04/513129404.db2.gz YEMIBQUBRMJNEV-IBGZPJMESA-N 1 3 358.530 2.607 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417684839 513161332 /nfs/dbraw/zinc/16/13/32/513161332.db2.gz NZZLJEJSQRCFGL-WOJBJXKFSA-N 1 3 372.557 2.853 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000428685143 513163541 /nfs/dbraw/zinc/16/35/41/513163541.db2.gz JSIGTDJJLQUMFU-FUHWJXTLSA-N 1 3 364.559 2.868 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000428685143 513163546 /nfs/dbraw/zinc/16/35/46/513163546.db2.gz JSIGTDJJLQUMFU-FUHWJXTLSA-N 1 3 364.559 2.868 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000417693598 513166571 /nfs/dbraw/zinc/16/65/71/513166571.db2.gz QQWHZLVPDACQIQ-AVRDEDQJSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000417694452 513166904 /nfs/dbraw/zinc/16/69/04/513166904.db2.gz RXGHTXBMKFVURU-YVWKXTFCSA-N 1 3 356.514 2.605 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417703721 513172691 /nfs/dbraw/zinc/17/26/91/513172691.db2.gz PTWHXUARBZPXMC-ROUUACIJSA-N 1 3 350.551 2.671 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000446138566 513195091 /nfs/dbraw/zinc/19/50/91/513195091.db2.gz LQJRBWRXCOUSKR-NXWNEQKCSA-N 1 3 373.541 2.718 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000417816820 513220162 /nfs/dbraw/zinc/22/01/62/513220162.db2.gz CWBHPSUKZFFJDY-HXUWFJFHSA-N 1 3 358.530 2.955 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000417828301 513224525 /nfs/dbraw/zinc/22/45/25/513224525.db2.gz FEBMVVFSWOKAMB-IQXUUKFXSA-N 1 3 370.541 2.964 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000417827894 513224846 /nfs/dbraw/zinc/22/48/46/513224846.db2.gz PTZKYWNBNUGHHK-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417828511 513225240 /nfs/dbraw/zinc/22/52/40/513225240.db2.gz QGRKERGXYZSHLB-DFQSSKMNSA-N 1 3 360.546 2.912 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000417832523 513227276 /nfs/dbraw/zinc/22/72/76/513227276.db2.gz SWBGBHXFMOSZCH-ABSDTBQOSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1Cc1ccccc1 ZINC000417834529 513227543 /nfs/dbraw/zinc/22/75/43/513227543.db2.gz KBSKQKQFULCLQV-PBASOCQRSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1Cc1ccccc1 ZINC000417834527 513228043 /nfs/dbraw/zinc/22/80/43/513228043.db2.gz KBSKQKQFULCLQV-AYWYSENESA-N 1 3 370.541 2.681 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000446293641 513230775 /nfs/dbraw/zinc/23/07/75/513230775.db2.gz PQXOGLOZWVIAAI-CNNODRBYSA-N 1 3 373.541 2.677 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccnn3C3CCCC3)CC2)CC1 ZINC000421380507 513243016 /nfs/dbraw/zinc/24/30/16/513243016.db2.gz VXJCNQBHLORSAQ-UHFFFAOYSA-N 1 3 359.562 2.990 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440095207 513245550 /nfs/dbraw/zinc/24/55/50/513245550.db2.gz BAUVIAPNIRHBTE-SFHVURJKSA-N 1 3 365.587 2.871 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440095207 513245556 /nfs/dbraw/zinc/24/55/56/513245556.db2.gz BAUVIAPNIRHBTE-SFHVURJKSA-N 1 3 365.587 2.871 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)[C@@H](C)c3ccccc3)CC2)CC1 ZINC000450634578 513282609 /nfs/dbraw/zinc/28/26/09/513282609.db2.gz GVYGOCZVTUPSDL-SIKLNZKXSA-N 1 3 359.558 2.641 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC000446570140 513282981 /nfs/dbraw/zinc/28/29/81/513282981.db2.gz WWUUOILMGSHYTB-IBGZPJMESA-N 1 3 360.546 2.977 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417974345 513311676 /nfs/dbraw/zinc/31/16/76/513311676.db2.gz DFLRFYZZBAYBQM-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418024835 513339243 /nfs/dbraw/zinc/33/92/43/513339243.db2.gz CWAMPYQLMKYBGD-UXHICEINSA-N 1 3 360.546 2.974 20 0 FFADHO C[C@]1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418049878 513353723 /nfs/dbraw/zinc/35/37/23/513353723.db2.gz ZDTRMZUFXQNLMJ-PZJWPPBQSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418106413 513375108 /nfs/dbraw/zinc/37/51/08/513375108.db2.gz NCLCLNIBBGIQAA-FQEVSTJZSA-N 1 3 370.541 2.684 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CC1 ZINC000418137804 513386531 /nfs/dbraw/zinc/38/65/31/513386531.db2.gz IOVNKZVYVPMXSP-HBMCJLEFSA-N 1 3 370.541 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000418138631 513387862 /nfs/dbraw/zinc/38/78/62/513387862.db2.gz JKLKUIPNUVLTQG-AZUAARDMSA-N 1 3 358.530 2.667 20 0 FFADHO O=C(NCCCNCc1cccnc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418143931 513390123 /nfs/dbraw/zinc/39/01/23/513390123.db2.gz RLDMBXMBDHIVNY-FQEVSTJZSA-N 1 3 373.545 2.658 20 0 FFADHO O=C(NCCCNCc1cccnc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418143931 513390131 /nfs/dbraw/zinc/39/01/31/513390131.db2.gz RLDMBXMBDHIVNY-FQEVSTJZSA-N 1 3 373.545 2.658 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425058242 513393397 /nfs/dbraw/zinc/39/33/97/513393397.db2.gz OIPSZUZQXRATJB-AZUAARDMSA-N 1 3 359.514 2.573 20 0 FFADHO CCN1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000447085754 513395422 /nfs/dbraw/zinc/39/54/22/513395422.db2.gz JVIXYPOIDCVVJL-UHFFFAOYSA-N 1 3 364.433 2.683 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418154562 513395321 /nfs/dbraw/zinc/39/53/21/513395321.db2.gz JWDZFLZMMIRKCY-FHWLQOOXSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C[C@@H]1C[NH3+] ZINC000418157367 513396076 /nfs/dbraw/zinc/39/60/76/513396076.db2.gz OEPUGTFRUQAGOX-HOJAQTOUSA-N 1 3 372.557 2.913 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000429521239 513397126 /nfs/dbraw/zinc/39/71/26/513397126.db2.gz MNRPRQZKTRTKDT-SFHVURJKSA-N 1 3 366.509 2.535 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000418159636 513398143 /nfs/dbraw/zinc/39/81/43/513398143.db2.gz ZEVBSOYROAHELX-CTNGQTDRSA-N 1 3 358.530 2.586 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000418163539 513399264 /nfs/dbraw/zinc/39/92/64/513399264.db2.gz DOXOHPVBEYTNRC-JZXOWHBKSA-N 1 3 364.921 2.584 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000418165399 513401024 /nfs/dbraw/zinc/40/10/24/513401024.db2.gz JIHCEDJIDSNFQO-RDTXWAMCSA-N 1 3 356.470 2.811 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000418169930 513403853 /nfs/dbraw/zinc/40/38/53/513403853.db2.gz QXIHNGHASDCGOC-DOTOQJQBSA-N 1 3 350.507 2.740 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000418189181 513413422 /nfs/dbraw/zinc/41/34/22/513413422.db2.gz VBYVUIMJBALDNM-IAGOWNOFSA-N 1 3 352.910 2.759 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)CCN1Cc1ccccc1 ZINC000418192210 513414192 /nfs/dbraw/zinc/41/41/92/513414192.db2.gz LZWGIIGVOXDQNW-GHTZIAJQSA-N 1 3 366.509 2.820 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCN1Cc1ccccc1 ZINC000418197997 513417219 /nfs/dbraw/zinc/41/72/19/513417219.db2.gz URENAOSXQFOZBE-UIFIKXQLSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000418200771 513419575 /nfs/dbraw/zinc/41/95/75/513419575.db2.gz YRBUXYKCQAKLIP-BVOGOJNSSA-N 1 3 370.541 2.681 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC2([NH3+])CCCCC2)N(C)C)cc1 ZINC000418233033 513434033 /nfs/dbraw/zinc/43/40/33/513434033.db2.gz NOZUJXZCAVLGKZ-KRWDZBQOSA-N 1 3 364.559 2.972 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000418232383 513434057 /nfs/dbraw/zinc/43/40/57/513434057.db2.gz DKYHGNXTAJQARK-OALUTQOASA-N 1 3 364.578 2.917 20 0 FFADHO CCCN(C(=O)NCC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000418235587 513435740 /nfs/dbraw/zinc/43/57/40/513435740.db2.gz AHLWWXZAILOKEG-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[NH2+]C1CC1 ZINC000418305778 513457479 /nfs/dbraw/zinc/45/74/79/513457479.db2.gz ZROOYHVTQXTGCK-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCN2 ZINC000415872392 513458266 /nfs/dbraw/zinc/45/82/66/513458266.db2.gz WXEMYYMBOJWTEL-SFHVURJKSA-N 1 3 359.518 2.534 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCN2 ZINC000415872392 513458272 /nfs/dbraw/zinc/45/82/72/513458272.db2.gz WXEMYYMBOJWTEL-SFHVURJKSA-N 1 3 359.518 2.534 20 0 FFADHO NC(=O)CC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421884579 513460757 /nfs/dbraw/zinc/46/07/57/513460757.db2.gz QUQIQJAFRDGISB-VAMGGRTRSA-N 1 3 355.526 2.922 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000415907893 513472627 /nfs/dbraw/zinc/47/26/27/513472627.db2.gz BXKXOCIOVLKYEU-UHFFFAOYSA-N 1 3 352.482 2.627 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000418427679 513504952 /nfs/dbraw/zinc/50/49/52/513504952.db2.gz LJHFTMBOGXAROU-WIYYLYMNSA-N 1 3 366.509 2.992 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000430108972 513555536 /nfs/dbraw/zinc/55/55/36/513555536.db2.gz WDOCNHBULULSBN-HKUYNNGSSA-N 1 3 361.530 2.560 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418555577 513556047 /nfs/dbraw/zinc/55/60/47/513556047.db2.gz PGZAPXJEOKXBGA-ICSRJNTNSA-N 1 3 358.530 2.990 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc4c(c3)CNC4)C2)CC1 ZINC000418561307 513558252 /nfs/dbraw/zinc/55/82/52/513558252.db2.gz YYPBVVMAMIYFOU-LJQANCHMSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@]1(CNC(=O)N2CCCN(CCCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000418561203 513558845 /nfs/dbraw/zinc/55/88/45/513558845.db2.gz ZCDXXWPJFRIFKY-QFIPXVFZSA-N 1 3 372.557 2.726 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418613389 513578277 /nfs/dbraw/zinc/57/82/77/513578277.db2.gz FKIZWGGBHGAVGF-HXUWFJFHSA-N 1 3 373.545 2.847 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418620071 513579821 /nfs/dbraw/zinc/57/98/21/513579821.db2.gz KGFWLXIHFRIDDB-YLJYHZDGSA-N 1 3 358.530 2.667 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418643077 513588731 /nfs/dbraw/zinc/58/87/31/513588731.db2.gz AZPFLDOCCCDPBK-QUCCMNQESA-N 1 3 358.530 2.909 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418648281 513592192 /nfs/dbraw/zinc/59/21/92/513592192.db2.gz ZCSJWEPBWIZVPB-HXUWFJFHSA-N 1 3 358.530 2.637 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418687565 513612327 /nfs/dbraw/zinc/61/23/27/513612327.db2.gz DLHRDWIJRKGGQY-LJQANCHMSA-N 1 3 360.546 2.854 20 0 FFADHO CC[C@H](C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1)N(CC)CC ZINC000435602594 513633226 /nfs/dbraw/zinc/63/32/26/513633226.db2.gz DGUSHJRUUQNSQF-JKSUJKDBSA-N 1 3 352.548 2.510 20 0 FFADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418751139 513639045 /nfs/dbraw/zinc/63/90/45/513639045.db2.gz FIEWGMKVAUINBS-MRXNPFEDSA-N 1 3 360.493 2.527 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418751480 513639400 /nfs/dbraw/zinc/63/94/00/513639400.db2.gz RFVHPYYHERRNQD-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418791183 513658474 /nfs/dbraw/zinc/65/84/74/513658474.db2.gz NNPJJUOOCOFZOV-WMLDXEAASA-N 1 3 352.910 2.541 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000448207822 513708222 /nfs/dbraw/zinc/70/82/22/513708222.db2.gz BGVDTMRQKONXLF-OTWHNJEPSA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000448207822 513708225 /nfs/dbraw/zinc/70/82/25/513708225.db2.gz BGVDTMRQKONXLF-OTWHNJEPSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)C2(N)CCCCC2)CCOCC1)c1ccccc1 ZINC000430780646 513747090 /nfs/dbraw/zinc/74/70/90/513747090.db2.gz NQTZVAAHINPMLG-KRWDZBQOSA-N 1 3 359.514 2.664 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000448447457 513761073 /nfs/dbraw/zinc/76/10/73/513761073.db2.gz XZYICZZFPPOMGH-LJQANCHMSA-N 1 3 365.562 2.506 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000448447457 513761077 /nfs/dbraw/zinc/76/10/77/513761077.db2.gz XZYICZZFPPOMGH-LJQANCHMSA-N 1 3 365.562 2.506 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000430935594 513785306 /nfs/dbraw/zinc/78/53/06/513785306.db2.gz QXRNFWQSLVURRG-DYVFJYSZSA-N 1 3 367.440 2.843 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430953674 513792579 /nfs/dbraw/zinc/79/25/79/513792579.db2.gz UPADXPNCYHOPIA-JXFKEZNVSA-N 1 3 359.514 2.808 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)CN(C)C ZINC000425944774 513803301 /nfs/dbraw/zinc/80/33/01/513803301.db2.gz YVKJZBDRWDGNGB-ZACQAIPSSA-N 1 3 357.498 2.771 20 0 FFADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)CN(C)C ZINC000425945261 513804003 /nfs/dbraw/zinc/80/40/03/513804003.db2.gz QCUDJULMKQFVCF-CHWSQXEVSA-N 1 3 356.308 2.954 20 0 FFADHO C[C@H](CN[C@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+](C)C ZINC000425945261 513804009 /nfs/dbraw/zinc/80/40/09/513804009.db2.gz QCUDJULMKQFVCF-CHWSQXEVSA-N 1 3 356.308 2.954 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000443056807 513855615 /nfs/dbraw/zinc/85/56/15/513855615.db2.gz DDYWUPUKPREUIO-XJKSGUPXSA-N 1 3 371.403 2.751 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000443060179 513857276 /nfs/dbraw/zinc/85/72/76/513857276.db2.gz OKNJXRCMHWUACC-NSHDSACASA-N 1 3 369.391 2.581 20 0 FFADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(CN2CCOCC2)c1 ZINC000422687249 513903173 /nfs/dbraw/zinc/90/31/73/513903173.db2.gz BELQREFJMZVGSR-BHIFYINESA-N 1 3 357.542 2.919 20 0 FFADHO Brc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422717879 513910749 /nfs/dbraw/zinc/91/07/49/513910749.db2.gz PEHFZPIDSAUODB-HZSPNIEDSA-N 1 3 359.333 2.800 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000422769637 513927546 /nfs/dbraw/zinc/92/75/46/513927546.db2.gz VVEYFSJMCYTHSD-PJODQICGSA-N 1 3 359.283 2.863 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCCc1ccc(Br)cc1F ZINC000422769637 513927552 /nfs/dbraw/zinc/92/75/52/513927552.db2.gz VVEYFSJMCYTHSD-PJODQICGSA-N 1 3 359.283 2.863 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccccc2Br)CC[NH2+]CC1 ZINC000422777574 513929338 /nfs/dbraw/zinc/92/93/38/513929338.db2.gz FSWHKYHRUYFPIN-ZDUSSCGKSA-N 1 3 369.303 2.860 20 0 FFADHO Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422790382 513933493 /nfs/dbraw/zinc/93/34/93/513933493.db2.gz TZGAQFSHIOIKDL-XMSQKQJNSA-N 1 3 368.525 2.881 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422794463 513935153 /nfs/dbraw/zinc/93/51/53/513935153.db2.gz GSFYRZPNIIDXHI-JQHSSLGASA-N 1 3 360.498 2.612 20 0 FFADHO c1ccc(N2CCN(CCCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422803664 513937498 /nfs/dbraw/zinc/93/74/98/513937498.db2.gz DHCGQBQCJCLIBT-YPAWHYETSA-N 1 3 356.558 2.709 20 0 FFADHO c1cc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc(C[NH+]2CCCCCC2)c1 ZINC000422831004 513946069 /nfs/dbraw/zinc/94/60/69/513946069.db2.gz RXFMPEQJPFNKIG-YADHBBJMSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422845759 513950834 /nfs/dbraw/zinc/95/08/34/513950834.db2.gz CTVBMOMMMRRIAU-FPOVZHCZSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(CN2CCOCC2)CCCCC1 ZINC000422845759 513950841 /nfs/dbraw/zinc/95/08/41/513950841.db2.gz CTVBMOMMMRRIAU-FPOVZHCZSA-N 1 3 359.558 2.817 20 0 FFADHO FC(F)(F)CN1CCC(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422856388 513954181 /nfs/dbraw/zinc/95/41/81/513954181.db2.gz FEYNWTSWJDYLLZ-FUHWJXTLSA-N 1 3 369.431 2.859 20 0 FFADHO c1ccc(-c2ccc(NCCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nn2)cc1 ZINC000422863572 513957076 /nfs/dbraw/zinc/95/70/76/513957076.db2.gz RZZYIKQKWDMOIR-SESVDKBCSA-N 1 3 365.525 3.456 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)CC[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431685028 513967716 /nfs/dbraw/zinc/96/77/16/513967716.db2.gz IUFKISVSWVFNRF-NLWGTHIKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)CC[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000431685028 513967724 /nfs/dbraw/zinc/96/77/24/513967724.db2.gz IUFKISVSWVFNRF-NLWGTHIKSA-N 1 3 358.530 2.775 20 0 FFADHO N[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894864 513968412 /nfs/dbraw/zinc/96/84/12/513968412.db2.gz USBKCXCGSHEOHM-IRXDYDNUSA-N 1 3 352.320 2.883 20 0 FFADHO [NH3+][C@H]1CCC[C@@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894864 513968414 /nfs/dbraw/zinc/96/84/14/513968414.db2.gz USBKCXCGSHEOHM-IRXDYDNUSA-N 1 3 352.320 2.883 20 0 FFADHO COC(=O)c1cnc([C@@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000414087991 513971839 /nfs/dbraw/zinc/97/18/39/513971839.db2.gz IMYOWOXCIYHFNR-CYBMUJFWSA-N 1 3 360.483 2.892 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416808863 513976221 /nfs/dbraw/zinc/97/62/21/513976221.db2.gz AKCNWDGWJVPPTL-XLIONFOSSA-N 1 3 374.529 2.521 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cn1 ZINC000414108312 513977264 /nfs/dbraw/zinc/97/72/64/513977264.db2.gz JYPOQXFOJUNHDQ-GOSISDBHSA-N 1 3 360.546 2.561 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCC(=O)N1Cc2ccccc2C1 ZINC000422954008 513991166 /nfs/dbraw/zinc/99/11/66/513991166.db2.gz GVQZJXWTRBYVDO-UWJYYQICSA-N 1 3 351.494 2.857 20 0 FFADHO CC(C)(CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000416837652 513993558 /nfs/dbraw/zinc/99/35/58/513993558.db2.gz XPWOJXWETRWJFT-QZTJIDSGSA-N 1 3 350.551 2.815 20 0 FFADHO O[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N(Cc2ccccc2)C1 ZINC000422968607 513994925 /nfs/dbraw/zinc/99/49/25/513994925.db2.gz XGYOTLWTHRQMFQ-CSEOROSGSA-N 1 3 357.542 2.522 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000416840861 513996017 /nfs/dbraw/zinc/99/60/17/513996017.db2.gz LJXMJHUEILSLBS-BZUAXINKSA-N 1 3 350.532 2.654 20 0 FFADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414181758 513999555 /nfs/dbraw/zinc/99/95/55/513999555.db2.gz CLPZJFLJAQPAHK-KRWDZBQOSA-N 1 3 365.949 2.657 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414185607 514002204 /nfs/dbraw/zinc/00/22/04/514002204.db2.gz GUEGUJPTXSPBAM-FCHUYYIVSA-N 1 3 371.569 2.784 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2ccccc2o1 ZINC000414183596 514002336 /nfs/dbraw/zinc/00/23/36/514002336.db2.gz FCVWXTZTKPSBDH-QGZVFWFLSA-N 1 3 357.498 2.880 20 0 FFADHO CN(C)[C@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)Cc1ccccc1 ZINC000416855716 514006086 /nfs/dbraw/zinc/00/60/86/514006086.db2.gz WNQYNIQLPNRZPZ-FQEVSTJZSA-N 1 3 360.546 2.710 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCC2([NH3+])CCCCC2)N2CCCC2)c1 ZINC000416861183 514010203 /nfs/dbraw/zinc/01/02/03/514010203.db2.gz WTJMQFCCFKPTSV-IBGZPJMESA-N 1 3 374.529 2.793 20 0 FFADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048474 514018326 /nfs/dbraw/zinc/01/83/26/514018326.db2.gz IFHGYJUZDZASFG-SUMWQHHRSA-N 1 3 369.431 2.898 20 0 FFADHO Cc1cccc(C[C@H](CO)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423053588 514020011 /nfs/dbraw/zinc/02/00/11/514020011.db2.gz ATUWELIMZYQMMQ-UZKOGDIHSA-N 1 3 352.478 2.744 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074546 514028365 /nfs/dbraw/zinc/02/83/65/514028365.db2.gz MAMBETYBMNURPC-URKNILKWSA-N 1 3 366.427 2.803 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NC2CC[NH2+]CC2)cc1 ZINC000416945831 514059725 /nfs/dbraw/zinc/05/97/25/514059725.db2.gz AMYHWJCCUIKENZ-UHFFFAOYSA-N 1 3 366.509 2.966 20 0 FFADHO Cc1c(Br)cccc1C[C@@H](CO)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423151409 514061821 /nfs/dbraw/zinc/06/18/21/514061821.db2.gz DAHNBGDSDYBHSJ-KTFSGNIMSA-N 1 3 367.331 2.781 20 0 FFADHO C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)C1CNC1 ZINC000423174270 514069138 /nfs/dbraw/zinc/06/91/38/514069138.db2.gz BYANUJHJNVCRNX-ZDUSSCGKSA-N 1 3 352.320 2.611 20 0 FFADHO C[C@H](NCCC[NH2+]Cc1cccnc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000423190273 514075964 /nfs/dbraw/zinc/07/59/64/514075964.db2.gz QVLHISPBDSIALV-SIKLNZKXSA-N 1 3 368.525 2.613 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423195745 514077530 /nfs/dbraw/zinc/07/75/30/514077530.db2.gz YGCFFZZPCGXUBB-IAGOWNOFSA-N 1 3 352.320 2.883 20 0 FFADHO N[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423195745 514077524 /nfs/dbraw/zinc/07/75/24/514077524.db2.gz YGCFFZZPCGXUBB-IAGOWNOFSA-N 1 3 352.320 2.883 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000449115532 514079089 /nfs/dbraw/zinc/07/90/89/514079089.db2.gz HVJKBBDBCSABQD-IBGZPJMESA-N 1 3 362.514 2.835 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000449137204 514087921 /nfs/dbraw/zinc/08/79/21/514087921.db2.gz XKUKSYVSHWZJQK-HSALFYBXSA-N 1 3 359.558 2.781 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN[C@H](C)[C@H]3C)cc2)CC1 ZINC000416985103 514092427 /nfs/dbraw/zinc/09/24/27/514092427.db2.gz YMZBFRYYNRRHRI-QZTJIDSGSA-N 1 3 358.530 2.810 20 0 FFADHO O=C1[C@@H](N2CCC3(CC[NH2+]C3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000420329368 514095843 /nfs/dbraw/zinc/09/58/43/514095843.db2.gz GMHDPZAAKDRTFN-SFHVURJKSA-N 1 3 363.452 2.531 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000420341003 514101728 /nfs/dbraw/zinc/10/17/28/514101728.db2.gz POYXSRPCGAGAGB-ORYQWCPZSA-N 1 3 351.494 2.948 20 0 FFADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000420344036 514103155 /nfs/dbraw/zinc/10/31/55/514103155.db2.gz RUMHWTHSXSCIEF-ONTIZHBOSA-N 1 3 355.526 2.884 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000423335973 514112556 /nfs/dbraw/zinc/11/25/56/514112556.db2.gz SIEYHLQEFXEGOH-OAHLLOKOSA-N 1 3 353.466 2.915 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000417011743 514117117 /nfs/dbraw/zinc/11/71/17/514117117.db2.gz SVLLTDAYBGXUAM-SJLPKXTDSA-N 1 3 352.548 2.820 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2C[C@H](C)CCN2)ccc1OC ZINC000423357452 514117164 /nfs/dbraw/zinc/11/71/64/514117164.db2.gz IAUKAFGCOIPQMR-NVXWUHKLSA-N 1 3 363.502 2.742 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)C(=O)NCc2ccco2)CC1 ZINC000449221784 514119458 /nfs/dbraw/zinc/11/94/58/514119458.db2.gz HDTACKRFLBJDAI-ROUUACIJSA-N 1 3 369.509 2.970 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccsc1 ZINC000417013931 514119714 /nfs/dbraw/zinc/11/97/14/514119714.db2.gz ZHIRBWPXCNXRCV-QGZVFWFLSA-N 1 3 364.559 2.916 20 0 FFADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000449227782 514122697 /nfs/dbraw/zinc/12/26/97/514122697.db2.gz WKBQNKFMDSJMEF-QGZVFWFLSA-N 1 3 355.482 2.826 20 0 FFADHO CC(C)[C@H](COCc1ccccc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389474 514125391 /nfs/dbraw/zinc/12/53/91/514125391.db2.gz NMGJNOYXORWBGI-ZWKOTPCHSA-N 1 3 373.463 2.654 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000423397564 514127676 /nfs/dbraw/zinc/12/76/76/514127676.db2.gz SOOHRDKTQSBYIE-RCZSKKKRSA-N 1 3 355.526 2.889 20 0 FFADHO CCC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC)cc1 ZINC000423398420 514127862 /nfs/dbraw/zinc/12/78/62/514127862.db2.gz VJMJQFCJWXNVCZ-IAGOWNOFSA-N 1 3 359.436 2.962 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417037103 514135207 /nfs/dbraw/zinc/13/52/07/514135207.db2.gz TZEPHYHWNQKPFJ-TZIWHRDSSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000423443225 514143925 /nfs/dbraw/zinc/14/39/25/514143925.db2.gz ADAZKZFDPFKXFB-ONUMYQOESA-N 1 3 353.869 2.777 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1(C)C ZINC000444185946 514148861 /nfs/dbraw/zinc/14/88/61/514148861.db2.gz QFBRXHGUFYKLDK-SIKLNZKXSA-N 1 3 373.541 2.821 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000423549762 514167359 /nfs/dbraw/zinc/16/73/59/514167359.db2.gz IEGDVFIQBXQZTP-IRXDYDNUSA-N 1 3 355.482 2.716 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000417113464 514175060 /nfs/dbraw/zinc/17/50/60/514175060.db2.gz MXNGGNKYKMVNCT-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1nc(C)c(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000414558141 514178432 /nfs/dbraw/zinc/17/84/32/514178432.db2.gz RLOKBTOLCRDZKF-UHFFFAOYSA-N 1 3 372.538 2.747 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1(C[NH3+])CC1 ZINC000423649505 514192500 /nfs/dbraw/zinc/19/25/00/514192500.db2.gz SUHKNBBZIUSKJK-UHFFFAOYSA-N 1 3 357.420 2.725 20 0 FFADHO NC[C@H](NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000449505959 514232200 /nfs/dbraw/zinc/23/22/00/514232200.db2.gz ZTVMLZUNDZIVTQ-GMAHTHKFSA-N 1 3 359.473 2.887 20 0 FFADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423801628 514233375 /nfs/dbraw/zinc/23/33/75/514233375.db2.gz UCWBZMFSUURQRH-IBGZPJMESA-N 1 3 358.530 2.661 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000417221190 514240507 /nfs/dbraw/zinc/24/05/07/514240507.db2.gz NMGPZTOXRVWTPC-QUCCMNQESA-N 1 3 370.541 2.997 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000417223778 514243411 /nfs/dbraw/zinc/24/34/11/514243411.db2.gz SXJCHFPKPLMYJF-WLRLJWMZSA-N 1 3 370.541 2.853 20 0 FFADHO CN(CCNC(=O)N(CCC[NH3+])Cc1ccccc1)Cc1ccccc1 ZINC000417233752 514249242 /nfs/dbraw/zinc/24/92/42/514249242.db2.gz SLYZKYQQKHIJTC-UHFFFAOYSA-N 1 3 354.498 2.679 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423852602 514263645 /nfs/dbraw/zinc/26/36/45/514263645.db2.gz SDIDIQVQLOFWGI-JXFKEZNVSA-N 1 3 352.482 2.813 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000423855337 514266324 /nfs/dbraw/zinc/26/63/24/514266324.db2.gz WLUOGKXMRUOESO-SFHVURJKSA-N 1 3 358.530 2.935 20 0 FFADHO Cc1ccccc1C1CC([N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)C1 ZINC000414743173 514268258 /nfs/dbraw/zinc/26/82/58/514268258.db2.gz NBDQDTAYQHXJER-PGYGNJIDSA-N 1 3 355.526 2.903 20 0 FFADHO Cc1ccccc1C1CC([N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)C1 ZINC000414743173 514268265 /nfs/dbraw/zinc/26/82/65/514268265.db2.gz NBDQDTAYQHXJER-PGYGNJIDSA-N 1 3 355.526 2.903 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291588 514278274 /nfs/dbraw/zinc/27/82/74/514278274.db2.gz AWWGACCNKHUPCK-XJKSGUPXSA-N 1 3 374.451 2.982 20 0 FFADHO COc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC(F)F ZINC000414796204 514298524 /nfs/dbraw/zinc/29/85/24/514298524.db2.gz XOPQJFPCWLFJLT-PBHICJAKSA-N 1 3 356.413 2.625 20 0 FFADHO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000432860078 514304167 /nfs/dbraw/zinc/30/41/67/514304167.db2.gz QUTNPPRYULOCEV-UHFFFAOYSA-N 1 3 367.559 2.539 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C1CCCC1 ZINC000417351028 514305765 /nfs/dbraw/zinc/30/57/65/514305765.db2.gz AVGIYTCYYCKIKG-GOSISDBHSA-N 1 3 364.559 2.777 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)N2CCCC2)cc1 ZINC000417352232 514306717 /nfs/dbraw/zinc/30/67/17/514306717.db2.gz FOJQGMMENCKEFL-ZCNNSNEGSA-N 1 3 356.514 2.525 20 0 FFADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414821221 514309320 /nfs/dbraw/zinc/30/93/20/514309320.db2.gz KZTIGRKIOZPZKI-HZPDHXFCSA-N 1 3 374.529 2.662 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccccc2OCCN(C)C)cc1 ZINC000417373510 514318876 /nfs/dbraw/zinc/31/88/76/514318876.db2.gz YDXFUIVLRNKICX-INIZCTEOSA-N 1 3 370.497 2.646 20 0 FFADHO CNC[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414845793 514320835 /nfs/dbraw/zinc/32/08/35/514320835.db2.gz SUPVOANZXMNSQF-CQSZACIVSA-N 1 3 354.336 2.859 20 0 FFADHO C[NH2+]C[C@@H](C)CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414845793 514320844 /nfs/dbraw/zinc/32/08/44/514320844.db2.gz SUPVOANZXMNSQF-CQSZACIVSA-N 1 3 354.336 2.859 20 0 FFADHO CNCCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414856882 514326558 /nfs/dbraw/zinc/32/65/58/514326558.db2.gz BETAOSODFIMJBU-UHFFFAOYSA-N 1 3 368.319 2.561 20 0 FFADHO C[NH2+]CCCNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414856882 514326567 /nfs/dbraw/zinc/32/65/67/514326567.db2.gz BETAOSODFIMJBU-UHFFFAOYSA-N 1 3 368.319 2.561 20 0 FFADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000414877291 514336596 /nfs/dbraw/zinc/33/65/96/514336596.db2.gz MABQRBWNRVFJDO-GOSISDBHSA-N 1 3 374.529 2.505 20 0 FFADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000414880111 514337631 /nfs/dbraw/zinc/33/76/31/514337631.db2.gz PYLXOHJBMMOATD-LJQANCHMSA-N 1 3 374.529 2.505 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000417417108 514342237 /nfs/dbraw/zinc/34/22/37/514342237.db2.gz RKVFNKPTCUZQIU-GJZGRUSLSA-N 1 3 366.472 2.631 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000417417108 514342245 /nfs/dbraw/zinc/34/22/45/514342245.db2.gz RKVFNKPTCUZQIU-GJZGRUSLSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414902233 514348716 /nfs/dbraw/zinc/34/87/16/514348716.db2.gz GZEPMFVILGSWCC-IERDGZPVSA-N 1 3 357.498 2.821 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3C[C@H](C)NC[C@H]3C)c2)CC1 ZINC000417468543 514367452 /nfs/dbraw/zinc/36/74/52/514367452.db2.gz OVJZQEVJVVGUKZ-ZWKOTPCHSA-N 1 3 358.530 2.810 20 0 FFADHO FC(F)(F)[C@H](CNCc1cccc(-c2ccncc2)c1)N1CC[NH2+]CC1 ZINC000414971473 514380826 /nfs/dbraw/zinc/38/08/26/514380826.db2.gz IUDVVZVYQMUCJG-SFHVURJKSA-N 1 3 364.415 2.674 20 0 FFADHO C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)CN1 ZINC000417583674 514421789 /nfs/dbraw/zinc/42/17/89/514421789.db2.gz LFFUSFDGWVUIRN-GYMWCJPTSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)CN1 ZINC000417583674 514421797 /nfs/dbraw/zinc/42/17/97/514421797.db2.gz LFFUSFDGWVUIRN-GYMWCJPTSA-N 1 3 356.514 2.574 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCOc3cccc(OC)c3)CC2)CC1 ZINC000420982019 514422274 /nfs/dbraw/zinc/42/22/74/514422274.db2.gz OBKRNWRIRQUPLS-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCOc3cccc(OC)c3)CC2)CC1 ZINC000420982019 514422278 /nfs/dbraw/zinc/42/22/78/514422278.db2.gz OBKRNWRIRQUPLS-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CC[NH+]1CCC(N2CCCN(CCOc3cccc(OC)c3)CC2)CC1 ZINC000420982019 514422283 /nfs/dbraw/zinc/42/22/83/514422283.db2.gz OBKRNWRIRQUPLS-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415063556 514423185 /nfs/dbraw/zinc/42/31/85/514423185.db2.gz AFULIGQIJOWEKZ-AEFFLSMTSA-N 1 3 362.543 2.527 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000415112039 514447698 /nfs/dbraw/zinc/44/76/98/514447698.db2.gz COTWKDBQVTTWKQ-WIYYLYMNSA-N 1 3 369.484 2.896 20 0 FFADHO O=C1N[C@@H]2CN(Cc3cccc4ccccc43)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134799 514462093 /nfs/dbraw/zinc/46/20/93/514462093.db2.gz FAOIQVFQKRXBDD-NHCUHLMSSA-N 1 3 364.493 2.560 20 0 FFADHO [NH3+]CC1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000415142199 514466291 /nfs/dbraw/zinc/46/62/91/514466291.db2.gz PGWHCYOEISSAFA-UHFFFAOYSA-N 1 3 362.477 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000439156102 514501979 /nfs/dbraw/zinc/50/19/79/514501979.db2.gz QFKBTQDTXHTZMX-KJXAQDMKSA-N 1 3 369.553 2.765 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000439156102 514501982 /nfs/dbraw/zinc/50/19/82/514501982.db2.gz QFKBTQDTXHTZMX-KJXAQDMKSA-N 1 3 369.553 2.765 20 0 FFADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1cccs1)C(C)C ZINC000439256230 514515665 /nfs/dbraw/zinc/51/56/65/514515665.db2.gz HLCIFZSNDDAHFX-UHFFFAOYSA-N 1 3 354.564 2.940 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCN1C ZINC000466030934 514543496 /nfs/dbraw/zinc/54/34/96/514543496.db2.gz DJBXRQGIHQUXIS-WJFTUGDTSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCN1C ZINC000466030934 514543500 /nfs/dbraw/zinc/54/35/00/514543500.db2.gz DJBXRQGIHQUXIS-WJFTUGDTSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000466040243 514545248 /nfs/dbraw/zinc/54/52/48/514545248.db2.gz UIRVMPGHIWYCEC-WSTZPKSXSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000466040243 514545255 /nfs/dbraw/zinc/54/52/55/514545255.db2.gz UIRVMPGHIWYCEC-WSTZPKSXSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1CCCC[C@@]1(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458127344 514578674 /nfs/dbraw/zinc/57/86/74/514578674.db2.gz MHYJYBKADGRXIP-OXJNMPFZSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000466214075 514579007 /nfs/dbraw/zinc/57/90/07/514579007.db2.gz HJFJYAXDFIUMLA-JXFKEZNVSA-N 1 3 370.541 2.605 20 0 FFADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000466214075 514579014 /nfs/dbraw/zinc/57/90/14/514579014.db2.gz HJFJYAXDFIUMLA-JXFKEZNVSA-N 1 3 370.541 2.605 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000479461140 514592617 /nfs/dbraw/zinc/59/26/17/514592617.db2.gz NJFPBBAFIUUPES-INIZCTEOSA-N 1 3 367.559 2.723 20 0 FFADHO O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@H]2CCCCN12 ZINC000453436769 514637984 /nfs/dbraw/zinc/63/79/84/514637984.db2.gz LOZOJLCETATZGY-YMQHIKHWSA-N 1 3 353.510 2.925 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000466550587 514686478 /nfs/dbraw/zinc/68/64/78/514686478.db2.gz FVTCHYCGYSYIQL-IGGJEDBVSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000466550587 514686487 /nfs/dbraw/zinc/68/64/87/514686487.db2.gz FVTCHYCGYSYIQL-IGGJEDBVSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000484568697 514693533 /nfs/dbraw/zinc/69/35/33/514693533.db2.gz OTITWOPBMARSQM-JTDSTZFVSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000484568697 514693541 /nfs/dbraw/zinc/69/35/41/514693541.db2.gz OTITWOPBMARSQM-JTDSTZFVSA-N 1 3 364.509 2.848 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475546220 514710736 /nfs/dbraw/zinc/71/07/36/514710736.db2.gz DGUCXIFGAJEOPI-LJQANCHMSA-N 1 3 363.571 2.794 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455768997 514727794 /nfs/dbraw/zinc/72/77/94/514727794.db2.gz KZKCOFBBHFEAJS-FHWLQOOXSA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455768997 514727804 /nfs/dbraw/zinc/72/78/04/514727804.db2.gz KZKCOFBBHFEAJS-FHWLQOOXSA-N 1 3 361.555 2.580 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)N(C)Cc1ccccc1 ZINC000458364990 514737166 /nfs/dbraw/zinc/73/71/66/514737166.db2.gz BIKQIFGYFOACEP-NQIIRXRSSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)N(C)Cc1ccccc1 ZINC000458364990 514737176 /nfs/dbraw/zinc/73/71/76/514737176.db2.gz BIKQIFGYFOACEP-NQIIRXRSSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000489270326 514777019 /nfs/dbraw/zinc/77/70/19/514777019.db2.gz NOIHPSRWOCVIBQ-BVOGOJNSSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000489270326 514777026 /nfs/dbraw/zinc/77/70/26/514777026.db2.gz NOIHPSRWOCVIBQ-BVOGOJNSSA-N 1 3 370.541 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc2cc[nH]c21 ZINC000466859002 514803982 /nfs/dbraw/zinc/80/39/82/514803982.db2.gz LQOPLNMRNNFUPW-IBGZPJMESA-N 1 3 371.529 2.725 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc2cc[nH]c21 ZINC000466859002 514803994 /nfs/dbraw/zinc/80/39/94/514803994.db2.gz LQOPLNMRNNFUPW-IBGZPJMESA-N 1 3 371.529 2.725 20 0 FFADHO CN1CCC[C@@H](C[N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000508542720 514816190 /nfs/dbraw/zinc/81/61/90/514816190.db2.gz QVDXVTDFLBEWNQ-GFCCVEGCSA-N 1 3 355.276 2.951 20 0 FFADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000508542720 514816193 /nfs/dbraw/zinc/81/61/93/514816193.db2.gz QVDXVTDFLBEWNQ-GFCCVEGCSA-N 1 3 355.276 2.951 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000462018141 514834739 /nfs/dbraw/zinc/83/47/39/514834739.db2.gz ZMPXFBPRLLEFCZ-HNNXBMFYSA-N 1 3 370.488 2.767 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000462018141 514834744 /nfs/dbraw/zinc/83/47/44/514834744.db2.gz ZMPXFBPRLLEFCZ-HNNXBMFYSA-N 1 3 370.488 2.767 20 0 FFADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455923593 514835627 /nfs/dbraw/zinc/83/56/27/514835627.db2.gz MPENFSLKRBIAAM-UYAOXDASSA-N 1 3 374.529 2.810 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN(C[C@@H](C)O)C[C@H]3C)c2cc1OCC ZINC000480183038 514867737 /nfs/dbraw/zinc/86/77/37/514867737.db2.gz POLYFDDJGIQWKL-HZPDHXFCSA-N 1 3 373.497 2.924 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@@H]1c1ccccc1 ZINC000458566642 514908232 /nfs/dbraw/zinc/90/82/32/514908232.db2.gz BYUHPDRAKHNWMU-DYXWJJEUSA-N 1 3 356.514 2.559 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[C@@H]1c1ccccc1 ZINC000458566642 514908239 /nfs/dbraw/zinc/90/82/39/514908239.db2.gz BYUHPDRAKHNWMU-DYXWJJEUSA-N 1 3 356.514 2.559 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000503116583 514923241 /nfs/dbraw/zinc/92/32/41/514923241.db2.gz LFQPWUBGXNAJAY-FXAWDEMLSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)N2CCCC2)cc1 ZINC000503116583 514923251 /nfs/dbraw/zinc/92/32/51/514923251.db2.gz LFQPWUBGXNAJAY-FXAWDEMLSA-N 1 3 374.529 2.568 20 0 FFADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)N1CCOc2ccccc21 ZINC000503116195 514923880 /nfs/dbraw/zinc/92/38/80/514923880.db2.gz WIKYKQNBAXOIMJ-UHFFFAOYSA-N 1 3 357.498 2.610 20 0 FFADHO COc1cccc([C@H](CNC(=O)N2CC[N@H+](C)CC[C@H]2C)N2CCCC2)c1 ZINC000503159105 514938731 /nfs/dbraw/zinc/93/87/31/514938731.db2.gz WBQLRGQGOZVRIT-XLIONFOSSA-N 1 3 374.529 2.568 20 0 FFADHO COc1cccc([C@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)N2CCCC2)c1 ZINC000503159105 514938735 /nfs/dbraw/zinc/93/87/35/514938735.db2.gz WBQLRGQGOZVRIT-XLIONFOSSA-N 1 3 374.529 2.568 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508898925 514946242 /nfs/dbraw/zinc/94/62/42/514946242.db2.gz MVOHDELGXUOMTC-BJLQDIEVSA-N 1 3 360.546 2.969 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508898925 514946250 /nfs/dbraw/zinc/94/62/50/514946250.db2.gz MVOHDELGXUOMTC-BJLQDIEVSA-N 1 3 360.546 2.969 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489893122 515019722 /nfs/dbraw/zinc/01/97/22/515019722.db2.gz YGZDJDMXFPZFPL-HUUJSLGLSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489893122 515019731 /nfs/dbraw/zinc/01/97/31/515019731.db2.gz YGZDJDMXFPZFPL-HUUJSLGLSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000458732804 515052503 /nfs/dbraw/zinc/05/25/03/515052503.db2.gz LUDMJUNRYRJYMF-YLJYHZDGSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000458732804 515052513 /nfs/dbraw/zinc/05/25/13/515052513.db2.gz LUDMJUNRYRJYMF-YLJYHZDGSA-N 1 3 362.562 2.909 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000476464488 515058658 /nfs/dbraw/zinc/05/86/58/515058658.db2.gz VXAWUBQHXIHQBZ-HXUWFJFHSA-N 1 3 358.530 2.907 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[NH+]1CCCC1 ZINC000476493015 515069329 /nfs/dbraw/zinc/06/93/29/515069329.db2.gz RNBXOFKVXCMIPH-RTBURBONSA-N 1 3 350.551 2.765 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000476509646 515078609 /nfs/dbraw/zinc/07/86/09/515078609.db2.gz LOGCJHAOJSWACO-MRXNPFEDSA-N 1 3 353.551 2.693 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000458771597 515079134 /nfs/dbraw/zinc/07/91/34/515079134.db2.gz IAXOQKLOLVVPON-YZGWKJHDSA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000458771597 515079139 /nfs/dbraw/zinc/07/91/39/515079139.db2.gz IAXOQKLOLVVPON-YZGWKJHDSA-N 1 3 358.530 2.774 20 0 FFADHO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000503557826 515082164 /nfs/dbraw/zinc/08/21/64/515082164.db2.gz LWZBPJFSCZPLJP-TZIWHRDSSA-N 1 3 373.541 2.807 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467753155 515102679 /nfs/dbraw/zinc/10/26/79/515102679.db2.gz JDOGCLXUSADAJQ-PKOBYXMFSA-N 1 3 363.571 2.841 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000458882387 515169695 /nfs/dbraw/zinc/16/96/95/515169695.db2.gz DZRDKDDJAXQCRE-YJBOKZPZSA-N 1 3 364.559 2.604 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000485813625 515199104 /nfs/dbraw/zinc/19/91/04/515199104.db2.gz OJSQWJSUVPBKLY-NSISKUIASA-N 1 3 357.542 2.773 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000485813625 515199118 /nfs/dbraw/zinc/19/91/18/515199118.db2.gz OJSQWJSUVPBKLY-NSISKUIASA-N 1 3 357.542 2.773 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481161865 515231622 /nfs/dbraw/zinc/23/16/22/515231622.db2.gz BUMHPXABUBZAAG-KSEOMHKRSA-N 1 3 359.558 2.579 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000499212653 515239705 /nfs/dbraw/zinc/23/97/05/515239705.db2.gz LIPXRLACCWYMMH-GGPKGHCWSA-N 1 3 360.546 2.955 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000499212653 515239713 /nfs/dbraw/zinc/23/97/13/515239713.db2.gz LIPXRLACCWYMMH-GGPKGHCWSA-N 1 3 360.546 2.955 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000509589199 515247591 /nfs/dbraw/zinc/24/75/91/515247591.db2.gz YYCGSUHKARZNKX-ULQDDVLXSA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000509589199 515247596 /nfs/dbraw/zinc/24/75/96/515247596.db2.gz YYCGSUHKARZNKX-ULQDDVLXSA-N 1 3 350.507 2.692 20 0 FFADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCCOCC[NH+](C)C ZINC000499255052 515257669 /nfs/dbraw/zinc/25/76/69/515257669.db2.gz WENVMTQXPFWFDR-UHFFFAOYSA-N 1 3 350.894 2.810 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000476937716 515257880 /nfs/dbraw/zinc/25/78/80/515257880.db2.gz FBWHEFJUPOJMNB-NJDAHSKKSA-N 1 3 370.541 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000476937716 515257889 /nfs/dbraw/zinc/25/78/89/515257889.db2.gz FBWHEFJUPOJMNB-NJDAHSKKSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccco1 ZINC000509615810 515259591 /nfs/dbraw/zinc/25/95/91/515259591.db2.gz VHNVQSJVEGJHDY-ULQDDVLXSA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccco1 ZINC000509615810 515259597 /nfs/dbraw/zinc/25/95/97/515259597.db2.gz VHNVQSJVEGJHDY-ULQDDVLXSA-N 1 3 350.507 2.692 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000504289601 515262070 /nfs/dbraw/zinc/26/20/70/515262070.db2.gz NLWKRWLAGYXMFJ-UFYCRDLUSA-N 1 3 358.530 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000504289601 515262077 /nfs/dbraw/zinc/26/20/77/515262077.db2.gz NLWKRWLAGYXMFJ-UFYCRDLUSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000499318890 515283159 /nfs/dbraw/zinc/28/31/59/515283159.db2.gz FJUAHJOXTXTGQX-RHSMWYFYSA-N 1 3 352.498 2.704 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccco1 ZINC000499332615 515288191 /nfs/dbraw/zinc/28/81/91/515288191.db2.gz YZVIVBLLJZXQNI-ARFHVFGLSA-N 1 3 352.523 2.984 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000463014022 515335905 /nfs/dbraw/zinc/33/59/05/515335905.db2.gz QGMQRVYAJNKVGT-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454260163 515345851 /nfs/dbraw/zinc/34/58/51/515345851.db2.gz FXXOEKQXCQHWCK-DZFGPLHGSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454260163 515345862 /nfs/dbraw/zinc/34/58/62/515345862.db2.gz FXXOEKQXCQHWCK-DZFGPLHGSA-N 1 3 370.541 2.907 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(Cl)cc1 ZINC000499509020 515351645 /nfs/dbraw/zinc/35/16/45/515351645.db2.gz PKDMLLSEFXKCCT-KRWDZBQOSA-N 1 3 367.921 2.593 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(Cl)cc1 ZINC000499509020 515351650 /nfs/dbraw/zinc/35/16/50/515351650.db2.gz PKDMLLSEFXKCCT-KRWDZBQOSA-N 1 3 367.921 2.593 20 0 FFADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000509906612 515362411 /nfs/dbraw/zinc/36/24/11/515362411.db2.gz AWHLTOBPVBTAQV-GOSISDBHSA-N 1 3 353.510 2.860 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCCN1C ZINC000477193261 515365876 /nfs/dbraw/zinc/36/58/76/515365876.db2.gz LMHADFYPBZCWNF-AHRSYUTCSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCCN1C ZINC000477193261 515365879 /nfs/dbraw/zinc/36/58/79/515365879.db2.gz LMHADFYPBZCWNF-AHRSYUTCSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504843269 515390780 /nfs/dbraw/zinc/39/07/80/515390780.db2.gz PFXVUVQHOYOYBK-UXHICEINSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N(C)C ZINC000491170863 515391625 /nfs/dbraw/zinc/39/16/25/515391625.db2.gz IEDPOIUYQDTOKK-CUWPLCDZSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N(C)C ZINC000491170863 515391634 /nfs/dbraw/zinc/39/16/34/515391634.db2.gz IEDPOIUYQDTOKK-CUWPLCDZSA-N 1 3 358.530 2.723 20 0 FFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491186416 515392492 /nfs/dbraw/zinc/39/24/92/515392492.db2.gz MFBMDTHBXBMJEC-PXNSSMCTSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491186416 515392500 /nfs/dbraw/zinc/39/25/00/515392500.db2.gz MFBMDTHBXBMJEC-PXNSSMCTSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000454314776 515392715 /nfs/dbraw/zinc/39/27/15/515392715.db2.gz NMKKITZHSJNYLY-JRGCBEDISA-N 1 3 370.541 2.907 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000454314776 515392719 /nfs/dbraw/zinc/39/27/19/515392719.db2.gz NMKKITZHSJNYLY-JRGCBEDISA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000509990580 515393769 /nfs/dbraw/zinc/39/37/69/515393769.db2.gz MXCHEHYDEQBCSQ-SFHVURJKSA-N 1 3 360.502 2.719 20 0 FFADHO CC1(C)CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000481650889 515414154 /nfs/dbraw/zinc/41/41/54/515414154.db2.gz CKPFRVBKFOGXND-OAQYLSRUSA-N 1 3 359.558 2.779 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486276189 515414333 /nfs/dbraw/zinc/41/43/33/515414333.db2.gz PHFHNLNAAHFNER-DYXWJJEUSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486276189 515414342 /nfs/dbraw/zinc/41/43/42/515414342.db2.gz PHFHNLNAAHFNER-DYXWJJEUSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459285757 515447567 /nfs/dbraw/zinc/44/75/67/515447567.db2.gz FJHNLEFOOGUJTC-PZJWPPBQSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459285757 515447572 /nfs/dbraw/zinc/44/75/72/515447572.db2.gz FJHNLEFOOGUJTC-PZJWPPBQSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000510328384 515505007 /nfs/dbraw/zinc/50/50/07/515505007.db2.gz YZTGISDKDOCKBE-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000510328384 515505015 /nfs/dbraw/zinc/50/50/15/515505015.db2.gz YZTGISDKDOCKBE-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)[C@H]4CCC[C@H]43)CC2)CC1 ZINC000454463125 515509960 /nfs/dbraw/zinc/50/99/60/515509960.db2.gz USRKPIWSKQZZSL-RBUKOAKNSA-N 1 3 362.562 2.765 20 0 FFADHO NCc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccn1 ZINC000463490883 515522385 /nfs/dbraw/zinc/52/23/85/515522385.db2.gz JUHOBIMRQRLRFH-UHFFFAOYSA-N 1 3 372.900 2.836 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000510384220 515524663 /nfs/dbraw/zinc/52/46/63/515524663.db2.gz JIFFXQRRMALKOV-OALUTQOASA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000510384220 515524672 /nfs/dbraw/zinc/52/46/72/515524672.db2.gz JIFFXQRRMALKOV-OALUTQOASA-N 1 3 372.557 2.679 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000500088306 515586438 /nfs/dbraw/zinc/58/64/38/515586438.db2.gz NHJSFNDTFOTARB-UHFFFAOYSA-N 1 3 371.481 2.820 20 0 FFADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2ccccc2C1 ZINC000493147887 515602157 /nfs/dbraw/zinc/60/21/57/515602157.db2.gz LINWVJIEZQNOQH-XMSQKQJNSA-N 1 3 371.525 2.570 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000469030943 515636651 /nfs/dbraw/zinc/63/66/51/515636651.db2.gz SSWDEBIFBXIINQ-WSTZPKSXSA-N 1 3 358.530 2.767 20 0 FFADHO CC1(C)CCC[N@@H+]1CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000457084584 515636695 /nfs/dbraw/zinc/63/66/95/515636695.db2.gz YRNAYZYFMAAKFJ-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO CC1(C)CCC[N@H+]1CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000457084584 515636702 /nfs/dbraw/zinc/63/67/02/515636702.db2.gz YRNAYZYFMAAKFJ-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCC1 ZINC000454653745 515644049 /nfs/dbraw/zinc/64/40/49/515644049.db2.gz XHWGICUYLQAYCR-GOSISDBHSA-N 1 3 356.514 2.577 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCC1 ZINC000454653745 515644052 /nfs/dbraw/zinc/64/40/52/515644052.db2.gz XHWGICUYLQAYCR-GOSISDBHSA-N 1 3 356.514 2.577 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478023493 515670861 /nfs/dbraw/zinc/67/08/61/515670861.db2.gz CWACGFNMFNTFBK-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478023493 515670874 /nfs/dbraw/zinc/67/08/74/515670874.db2.gz CWACGFNMFNTFBK-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(OC)cc1 ZINC000505789707 515672277 /nfs/dbraw/zinc/67/22/77/515672277.db2.gz MADUGUOHBWPEEN-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(OC)cc1 ZINC000505789707 515672283 /nfs/dbraw/zinc/67/22/83/515672283.db2.gz MADUGUOHBWPEEN-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CC1(C)[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C[C@H]1c1ccccc1 ZINC000464080481 515705176 /nfs/dbraw/zinc/70/51/76/515705176.db2.gz CGPHWDZEYXWJLM-SFTDATJTSA-N 1 3 359.558 2.548 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494038144 515717009 /nfs/dbraw/zinc/71/70/09/515717009.db2.gz NJYXCZPVVMIDHI-MJGOQNOKSA-N 1 3 363.571 2.841 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000510969181 515731969 /nfs/dbraw/zinc/73/19/69/515731969.db2.gz PEEYEPCEUKJNJF-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000510969181 515731977 /nfs/dbraw/zinc/73/19/77/515731977.db2.gz PEEYEPCEUKJNJF-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO COC[C@@H](CC(C)C)[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000482633248 515746044 /nfs/dbraw/zinc/74/60/44/515746044.db2.gz HFWQMXNXWJWHCI-VQTJNVASSA-N 1 3 361.530 2.535 20 0 FFADHO COC[C@@H](CC(C)C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482633248 515746052 /nfs/dbraw/zinc/74/60/52/515746052.db2.gz HFWQMXNXWJWHCI-VQTJNVASSA-N 1 3 361.530 2.535 20 0 FFADHO COC[C@@H](CC(C)C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482633248 515746060 /nfs/dbraw/zinc/74/60/60/515746060.db2.gz HFWQMXNXWJWHCI-VQTJNVASSA-N 1 3 361.530 2.535 20 0 FFADHO C[C@H]1C[C@H](NCCOc2ccc(I)cc2)CC[N@@H+]1C ZINC000511032721 515751093 /nfs/dbraw/zinc/75/10/93/515751093.db2.gz TYERKZFMTXKWRU-GXTWGEPZSA-N 1 3 374.266 2.742 20 0 FFADHO C[C@H]1C[C@H](NCCOc2ccc(I)cc2)CC[N@H+]1C ZINC000511032721 515751098 /nfs/dbraw/zinc/75/10/98/515751098.db2.gz TYERKZFMTXKWRU-GXTWGEPZSA-N 1 3 374.266 2.742 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C ZINC000506243356 515825304 /nfs/dbraw/zinc/82/53/04/515825304.db2.gz KLOCMZSCXNRZCH-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@@H]1CN(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1 ZINC000494445792 515845800 /nfs/dbraw/zinc/84/58/00/515845800.db2.gz KSHVPDBCPVGDCO-GXRSIYKFSA-N 1 3 357.542 2.597 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000494445792 515845808 /nfs/dbraw/zinc/84/58/08/515845808.db2.gz KSHVPDBCPVGDCO-GXRSIYKFSA-N 1 3 357.542 2.597 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000494445792 515845816 /nfs/dbraw/zinc/84/58/16/515845816.db2.gz KSHVPDBCPVGDCO-GXRSIYKFSA-N 1 3 357.542 2.597 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000457450639 515879884 /nfs/dbraw/zinc/87/98/84/515879884.db2.gz YJBGLTBALVMXNL-UHFFFAOYSA-N 1 3 352.548 2.696 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000483050400 515903467 /nfs/dbraw/zinc/90/34/67/515903467.db2.gz XEVITRBWWOOHQS-QFBILLFUSA-N 1 3 360.502 2.575 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000483050400 515903477 /nfs/dbraw/zinc/90/34/77/515903477.db2.gz XEVITRBWWOOHQS-QFBILLFUSA-N 1 3 360.502 2.575 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000457483839 515907437 /nfs/dbraw/zinc/90/74/37/515907437.db2.gz QOEWLGSEGFJWAP-UXHICEINSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000457483839 515907445 /nfs/dbraw/zinc/90/74/45/515907445.db2.gz QOEWLGSEGFJWAP-UXHICEINSA-N 1 3 360.546 2.976 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000511467844 515915993 /nfs/dbraw/zinc/91/59/93/515915993.db2.gz ZVPSRKMCAHGZSJ-MSOLQXFVSA-N 1 3 365.468 2.696 20 0 FFADHO CC1CCC(N2CCN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC2)CC1 ZINC000474298403 515979885 /nfs/dbraw/zinc/97/98/85/515979885.db2.gz SLYVHMNTIVSGPZ-UHFFFAOYSA-N 1 3 355.526 2.711 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474305764 515984037 /nfs/dbraw/zinc/98/40/37/515984037.db2.gz WASOZKBZHGUJID-QFIPXVFZSA-N 1 3 363.505 2.769 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487836781 515999957 /nfs/dbraw/zinc/99/99/57/515999957.db2.gz LQJDYNJZAJKFAA-RAUXBKROSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487836781 515999962 /nfs/dbraw/zinc/99/99/62/515999962.db2.gz LQJDYNJZAJKFAA-RAUXBKROSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@H](CNC(=O)NCCN1CCCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000501178452 516006846 /nfs/dbraw/zinc/00/68/46/516006846.db2.gz ZTDCVOQTKMUUCP-MOPGFXCFSA-N 1 3 352.567 2.917 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000474355643 516008634 /nfs/dbraw/zinc/00/86/34/516008634.db2.gz PTYYHOLMZYDYBY-KBWCOIMZSA-N 1 3 370.541 2.967 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000465000050 516038797 /nfs/dbraw/zinc/03/87/97/516038797.db2.gz ADUCGOPKOIBPCI-VQTJNVASSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000465000050 516038804 /nfs/dbraw/zinc/03/88/04/516038804.db2.gz ADUCGOPKOIBPCI-VQTJNVASSA-N 1 3 358.530 2.538 20 0 FFADHO CS[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1N1CCCC1 ZINC000483389217 516059302 /nfs/dbraw/zinc/05/93/02/516059302.db2.gz FHVBUXLASQDGMP-IRXDYDNUSA-N 1 3 353.576 2.537 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)C2)C1 ZINC000457682878 516067379 /nfs/dbraw/zinc/06/73/79/516067379.db2.gz CPYGQTOXVMRJIO-ICSRJNTNSA-N 1 3 350.551 2.624 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000511900759 516073344 /nfs/dbraw/zinc/07/33/44/516073344.db2.gz JJBPAGDTNXJOQO-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000511900759 516073354 /nfs/dbraw/zinc/07/33/54/516073354.db2.gz JJBPAGDTNXJOQO-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH2+]CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000470003371 516074231 /nfs/dbraw/zinc/07/42/31/516074231.db2.gz QOCVLSAZRRPUBB-UHFFFAOYSA-N 1 3 356.470 2.669 20 0 FFADHO CC[C@H](CNC(=O)NCCC[NH+](CC)CC)N1CCc2ccccc2C1 ZINC000501358728 516075476 /nfs/dbraw/zinc/07/54/76/516075476.db2.gz KRXDPJPAVKVWHL-HXUWFJFHSA-N 1 3 360.546 2.854 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000507077868 516080447 /nfs/dbraw/zinc/08/04/47/516080447.db2.gz PDBZDYVLVFLBSB-IRXDYDNUSA-N 1 3 366.575 2.899 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488018098 516080728 /nfs/dbraw/zinc/08/07/28/516080728.db2.gz PZFQTGBFOPEZOL-HMGBVJPOSA-N 1 3 364.578 2.725 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488018098 516080734 /nfs/dbraw/zinc/08/07/34/516080734.db2.gz PZFQTGBFOPEZOL-HMGBVJPOSA-N 1 3 364.578 2.725 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1 ZINC000479185658 516095230 /nfs/dbraw/zinc/09/52/30/516095230.db2.gz LDQSNKZREVCATK-SJORKVTESA-N 1 3 361.486 2.883 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000457728460 516102428 /nfs/dbraw/zinc/10/24/28/516102428.db2.gz GOKZQAPZLRUJBV-OTWHNJEPSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000457728460 516102436 /nfs/dbraw/zinc/10/24/36/516102436.db2.gz GOKZQAPZLRUJBV-OTWHNJEPSA-N 1 3 352.567 2.869 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000457740571 516112630 /nfs/dbraw/zinc/11/26/30/516112630.db2.gz IHFQYIZPHRVFAD-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000457740571 516112639 /nfs/dbraw/zinc/11/26/39/516112639.db2.gz IHFQYIZPHRVFAD-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](C)C1 ZINC000488100732 516115348 /nfs/dbraw/zinc/11/53/48/516115348.db2.gz ZCOKKKFXPCENLI-ZSXPUABSSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](C)C1 ZINC000488100732 516115358 /nfs/dbraw/zinc/11/53/58/516115358.db2.gz ZCOKKKFXPCENLI-ZSXPUABSSA-N 1 3 372.557 2.531 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000455327977 516123056 /nfs/dbraw/zinc/12/30/56/516123056.db2.gz IHWKAURUYVFULP-PMACEKPBSA-N 1 3 370.541 2.967 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000455327977 516123064 /nfs/dbraw/zinc/12/30/64/516123064.db2.gz IHWKAURUYVFULP-PMACEKPBSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465429476 516148461 /nfs/dbraw/zinc/14/84/61/516148461.db2.gz XAXFADMCOULYCU-SFTDATJTSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465429476 516148470 /nfs/dbraw/zinc/14/84/70/516148470.db2.gz XAXFADMCOULYCU-SFTDATJTSA-N 1 3 370.541 2.825 20 0 FFADHO COc1ccc([C@H](C)[C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000474730561 516173660 /nfs/dbraw/zinc/17/36/60/516173660.db2.gz SAEBLPPPPIIECZ-ZHALLVOQSA-N 1 3 364.530 2.878 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000457920454 516231700 /nfs/dbraw/zinc/23/17/00/516231700.db2.gz FCNYYGZTCBLYNV-FGTMMUONSA-N 1 3 352.567 2.867 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000457920454 516231712 /nfs/dbraw/zinc/23/17/12/516231712.db2.gz FCNYYGZTCBLYNV-FGTMMUONSA-N 1 3 352.567 2.867 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000465719181 516240100 /nfs/dbraw/zinc/24/01/00/516240100.db2.gz ILQFIYYJFHQDMK-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[NH+](CCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1)C(C)C ZINC000470490382 516270173 /nfs/dbraw/zinc/27/01/73/516270173.db2.gz SBZKQTLNTXBYGT-UHFFFAOYSA-N 1 3 374.573 2.894 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000465873548 516276531 /nfs/dbraw/zinc/27/65/31/516276531.db2.gz JQHIWDRVPVGKSX-VQTJNVASSA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000465873548 516276538 /nfs/dbraw/zinc/27/65/38/516276538.db2.gz JQHIWDRVPVGKSX-VQTJNVASSA-N 1 3 372.557 2.774 20 0 FFADHO C[C@@H]1CN(CCOc2ccc(Cl)c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000484071178 516291277 /nfs/dbraw/zinc/29/12/77/516291277.db2.gz FBOSQPBFFZDFLJ-OAHLLOKOSA-N 1 3 369.912 2.958 20 0 FFADHO C[C@@H]1CN(CCOc2ccc(Cl)c(F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000484071178 516291283 /nfs/dbraw/zinc/29/12/83/516291283.db2.gz FBOSQPBFFZDFLJ-OAHLLOKOSA-N 1 3 369.912 2.958 20 0 FFADHO C[C@@H]1CN(CCOc2ccc(Cl)c(F)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000484071178 516291287 /nfs/dbraw/zinc/29/12/87/516291287.db2.gz FBOSQPBFFZDFLJ-OAHLLOKOSA-N 1 3 369.912 2.958 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCC(C)(C)C(=O)OC)CC1 ZINC000512502371 516297612 /nfs/dbraw/zinc/29/76/12/516297612.db2.gz ZCZZREMQGHQPIX-UHFFFAOYSA-N 1 3 361.530 2.898 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512611036 516312908 /nfs/dbraw/zinc/31/29/08/516312908.db2.gz HFCSORQISUQRMX-BHDDXSALSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512611036 516312913 /nfs/dbraw/zinc/31/29/13/516312913.db2.gz HFCSORQISUQRMX-BHDDXSALSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512611036 516312917 /nfs/dbraw/zinc/31/29/17/516312917.db2.gz HFCSORQISUQRMX-BHDDXSALSA-N 1 3 371.569 2.988 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H]1c1ccccc1 ZINC000535396036 516338429 /nfs/dbraw/zinc/33/84/29/516338429.db2.gz WDJYLOFNGVXCRC-NJYVYQBISA-N 1 3 370.541 2.805 20 0 FFADHO CCS[C@@H]1CCC[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557635347 516350395 /nfs/dbraw/zinc/35/03/95/516350395.db2.gz YRYAILRAAIZHSL-RTBURBONSA-N 1 3 367.603 2.973 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000517539257 516355526 /nfs/dbraw/zinc/35/55/26/516355526.db2.gz ISBUQHRDDOSPSS-MPTYRVRUSA-N 1 3 350.532 2.510 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCN(C2CC2)C1 ZINC000550627111 516358251 /nfs/dbraw/zinc/35/82/51/516358251.db2.gz FKRFSYDYKYSTDP-RRFJBIMHSA-N 1 3 361.452 2.590 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCN(C2CC2)C1 ZINC000550627111 516358257 /nfs/dbraw/zinc/35/82/57/516358257.db2.gz FKRFSYDYKYSTDP-RRFJBIMHSA-N 1 3 361.452 2.590 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000531357653 516426363 /nfs/dbraw/zinc/42/63/63/516426363.db2.gz PDRFOBFXLYTQKR-SFTDATJTSA-N 1 3 353.510 2.895 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000561174081 516427874 /nfs/dbraw/zinc/42/78/74/516427874.db2.gz HRJJTVSPHHXZOB-ICSRJNTNSA-N 1 3 358.530 2.840 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000561174083 516428140 /nfs/dbraw/zinc/42/81/40/516428140.db2.gz HRJJTVSPHHXZOB-UYAOXDASSA-N 1 3 358.530 2.840 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000561198647 516445833 /nfs/dbraw/zinc/44/58/33/516445833.db2.gz BUBMGAHUFLFRTL-PKOBYXMFSA-N 1 3 358.530 2.586 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000517899926 516486004 /nfs/dbraw/zinc/48/60/04/516486004.db2.gz BMEHSLGNKNJFQA-LAUBAEHRSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000517906458 516488429 /nfs/dbraw/zinc/48/84/29/516488429.db2.gz RWUMMYPUQRTDBU-KURKYZTESA-N 1 3 361.530 2.547 20 0 FFADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540263203 516496938 /nfs/dbraw/zinc/49/69/38/516496938.db2.gz ODGBYWVMHHDEEJ-LJQANCHMSA-N 1 3 360.502 2.848 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000531497446 516497817 /nfs/dbraw/zinc/49/78/17/516497817.db2.gz IXWSDDPMHKAFBI-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000531497446 516497825 /nfs/dbraw/zinc/49/78/25/516497825.db2.gz IXWSDDPMHKAFBI-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCN1C ZINC000557923627 516507776 /nfs/dbraw/zinc/50/77/76/516507776.db2.gz SJUAKCXLKMOVGO-UZKOGDIHSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCN1C ZINC000557923627 516507782 /nfs/dbraw/zinc/50/77/82/516507782.db2.gz SJUAKCXLKMOVGO-UZKOGDIHSA-N 1 3 370.541 2.777 20 0 FFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C1CC1 ZINC000523630628 516523881 /nfs/dbraw/zinc/52/38/81/516523881.db2.gz VYCRIACIGMHGRZ-UHFFFAOYSA-N 1 3 366.937 2.898 20 0 FFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)C1CC1 ZINC000523630628 516523891 /nfs/dbraw/zinc/52/38/91/516523891.db2.gz VYCRIACIGMHGRZ-UHFFFAOYSA-N 1 3 366.937 2.898 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000518098312 516548926 /nfs/dbraw/zinc/54/89/26/516548926.db2.gz RUNAMDIZMYOFNJ-GUDVDZBRSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000536013760 516592071 /nfs/dbraw/zinc/59/20/71/516592071.db2.gz MQHDMWOKVCAZTC-QUCCMNQESA-N 1 3 360.546 2.581 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528713557 516637942 /nfs/dbraw/zinc/63/79/42/516637942.db2.gz HVVBIQZJOCVEBT-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000536233673 516690316 /nfs/dbraw/zinc/69/03/16/516690316.db2.gz OFTBERQSVLGZET-TYPHKJRUSA-N 1 3 370.541 2.805 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000536233673 516690325 /nfs/dbraw/zinc/69/03/25/516690325.db2.gz OFTBERQSVLGZET-TYPHKJRUSA-N 1 3 370.541 2.805 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000518562187 516706559 /nfs/dbraw/zinc/70/65/59/516706559.db2.gz BIGDDZSGTCIXLK-MGPQQGTHSA-N 1 3 359.283 2.599 20 0 FFADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000518562187 516706572 /nfs/dbraw/zinc/70/65/72/516706572.db2.gz BIGDDZSGTCIXLK-MGPQQGTHSA-N 1 3 359.283 2.599 20 0 FFADHO CN1CCC([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000558419005 516731137 /nfs/dbraw/zinc/73/11/37/516731137.db2.gz ZUSXIRAHFIBKNE-QGZVFWFLSA-N 1 3 368.481 2.969 20 0 FFADHO CN1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000558419005 516731144 /nfs/dbraw/zinc/73/11/44/516731144.db2.gz ZUSXIRAHFIBKNE-QGZVFWFLSA-N 1 3 368.481 2.969 20 0 FFADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000531955440 516731668 /nfs/dbraw/zinc/73/16/68/516731668.db2.gz FDUMWPWKGAIPDF-AWEZNQCLSA-N 1 3 351.516 2.583 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1c(C)noc1C ZINC000513820005 516769443 /nfs/dbraw/zinc/76/94/43/516769443.db2.gz IDEFEOXQVBRZHH-QAPCUYQASA-N 1 3 364.534 2.660 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1c(C)noc1C ZINC000513820005 516769451 /nfs/dbraw/zinc/76/94/51/516769451.db2.gz IDEFEOXQVBRZHH-QAPCUYQASA-N 1 3 364.534 2.660 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000524658791 516781733 /nfs/dbraw/zinc/78/17/33/516781733.db2.gz KLRVCKKCBJTBNS-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](NC1(CNC(=O)CCCC[NH+](C)C)CCOCC1)c1ccccc1 ZINC000518814443 516785642 /nfs/dbraw/zinc/78/56/42/516785642.db2.gz FOCIWHZQPLCIQE-GOSISDBHSA-N 1 3 361.530 2.735 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000518978218 516840435 /nfs/dbraw/zinc/84/04/35/516840435.db2.gz HUJQBFAXJIZMNZ-INIZCTEOSA-N 1 3 354.454 2.627 20 0 FFADHO CSc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1F ZINC000561955565 516846862 /nfs/dbraw/zinc/84/68/62/516846862.db2.gz ZHIMJDYBYDUPMK-DZGCQCFKSA-N 1 3 353.507 2.786 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCc3n[nH]cc3C2)CC1 ZINC000532212774 516858630 /nfs/dbraw/zinc/85/86/30/516858630.db2.gz NCBWCJMZQPROSU-IBGZPJMESA-N 1 3 353.514 2.589 20 0 FFADHO CO[C@@H](C)CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000524894956 516862513 /nfs/dbraw/zinc/86/25/13/516862513.db2.gz DEVCLAGBNKHCOC-SFHVURJKSA-N 1 3 361.530 2.644 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000514187980 516895187 /nfs/dbraw/zinc/89/51/87/516895187.db2.gz YTBCSXUNWIMGGK-HDAAZOAOSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000514187980 516895194 /nfs/dbraw/zinc/89/51/94/516895194.db2.gz YTBCSXUNWIMGGK-HDAAZOAOSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000514201695 516902377 /nfs/dbraw/zinc/90/23/77/516902377.db2.gz LBOPVYACEHZICA-UYAOXDASSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000514201695 516902389 /nfs/dbraw/zinc/90/23/89/516902389.db2.gz LBOPVYACEHZICA-UYAOXDASSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000519151280 516903828 /nfs/dbraw/zinc/90/38/28/516903828.db2.gz OQFJKVGIBBTION-BBTUJRGHSA-N 1 3 358.530 2.810 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000536711302 516905142 /nfs/dbraw/zinc/90/51/42/516905142.db2.gz RQCFBAZCQJFDEZ-UHFFFAOYSA-N 1 3 371.529 2.805 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000514232280 516915809 /nfs/dbraw/zinc/91/58/09/516915809.db2.gz JWDZWOLPWIBMEV-OKZBNKHCSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000514232280 516915818 /nfs/dbraw/zinc/91/58/18/516915818.db2.gz JWDZWOLPWIBMEV-OKZBNKHCSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)(CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCCC1 ZINC000514438162 516929351 /nfs/dbraw/zinc/92/93/51/516929351.db2.gz JGJPEXNVTPAAMQ-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000552196038 517135603 /nfs/dbraw/zinc/13/56/03/517135603.db2.gz OLHVMVGDDKQHOL-OAQYLSRUSA-N 1 3 359.489 3.000 20 0 FFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccccc1-c1ccnn1C ZINC000552243981 517158861 /nfs/dbraw/zinc/15/88/61/517158861.db2.gz ROASGLZAPOCIFJ-UHFFFAOYSA-N 1 3 355.530 2.545 20 0 FFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccccc1-c1ccnn1C ZINC000552243981 517158870 /nfs/dbraw/zinc/15/88/70/517158870.db2.gz ROASGLZAPOCIFJ-UHFFFAOYSA-N 1 3 355.530 2.545 20 0 FFADHO COc1cc(C)c(C[C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000548793396 517218827 /nfs/dbraw/zinc/21/88/27/517218827.db2.gz GGIFOFTZSRYWHJ-GOSISDBHSA-N 1 3 363.546 2.560 20 0 FFADHO CCCCN1CCC([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000556063731 517249293 /nfs/dbraw/zinc/24/92/93/517249293.db2.gz QCFXAHQYOIIUNB-IBGZPJMESA-N 1 3 365.543 2.566 20 0 FFADHO O=C(CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Nc1ccccn1 ZINC000541881800 517273133 /nfs/dbraw/zinc/27/31/33/517273133.db2.gz ZJBWHSFNSXKHLK-XUVXKRRUSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Nc1ccccn1 ZINC000541881800 517273143 /nfs/dbraw/zinc/27/31/43/517273143.db2.gz ZJBWHSFNSXKHLK-XUVXKRRUSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccccn1 ZINC000541881800 517273149 /nfs/dbraw/zinc/27/31/49/517273149.db2.gz ZJBWHSFNSXKHLK-XUVXKRRUSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000529716799 517306470 /nfs/dbraw/zinc/30/64/70/517306470.db2.gz DVJZTFIQYJBSCD-FPOVZHCZSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000529716799 517306481 /nfs/dbraw/zinc/30/64/81/517306481.db2.gz DVJZTFIQYJBSCD-FPOVZHCZSA-N 1 3 370.541 2.817 20 0 FFADHO OC1(CNCc2ccc3c(n2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000562738722 517355015 /nfs/dbraw/zinc/35/50/15/517355015.db2.gz XXFTWEIODTYBKW-UHFFFAOYSA-N 1 3 351.494 2.687 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCN1C ZINC000520438765 517393330 /nfs/dbraw/zinc/39/33/30/517393330.db2.gz WJPBTBZIDHKLLN-INIZCTEOSA-N 1 3 352.548 2.696 20 0 FFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140985 517402069 /nfs/dbraw/zinc/40/20/69/517402069.db2.gz VGTPUANBFDBQPO-HOTGVXAUSA-N 1 3 372.513 2.684 20 0 FFADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140985 517402079 /nfs/dbraw/zinc/40/20/79/517402079.db2.gz VGTPUANBFDBQPO-HOTGVXAUSA-N 1 3 372.513 2.684 20 0 FFADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140985 517402086 /nfs/dbraw/zinc/40/20/86/517402086.db2.gz VGTPUANBFDBQPO-HOTGVXAUSA-N 1 3 372.513 2.684 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000515619363 517425253 /nfs/dbraw/zinc/42/52/53/517425253.db2.gz XTARXBMIXKRFOC-MYCCOQIQSA-N 1 3 362.543 2.700 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000520607980 517454020 /nfs/dbraw/zinc/45/40/20/517454020.db2.gz NKDHKGRAOVHKFB-ZSXPUABSSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000520607980 517454027 /nfs/dbraw/zinc/45/40/27/517454027.db2.gz NKDHKGRAOVHKFB-ZSXPUABSSA-N 1 3 355.526 2.697 20 0 FFADHO CC(C)n1ncc2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc21 ZINC000527127192 517517176 /nfs/dbraw/zinc/51/71/76/517517176.db2.gz ZFWICSCWJKHGHR-UHFFFAOYSA-N 1 3 360.506 2.574 20 0 FFADHO Cc1ccc([C@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CCCC2)o1 ZINC000538289519 517543937 /nfs/dbraw/zinc/54/39/37/517543937.db2.gz BJLNPIFQLRAIKF-OAQYLSRUSA-N 1 3 363.546 2.799 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000533812787 517622240 /nfs/dbraw/zinc/62/22/40/517622240.db2.gz MUQIMWCABXXNKZ-WSTZPKSXSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000533812787 517622248 /nfs/dbraw/zinc/62/22/48/517622248.db2.gz MUQIMWCABXXNKZ-WSTZPKSXSA-N 1 3 360.546 2.721 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000516237545 517630586 /nfs/dbraw/zinc/63/05/86/517630586.db2.gz CTDZAMMRNNCUPY-LEWJYISDSA-N 1 3 368.525 2.831 20 0 FFADHO CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530224238 517637067 /nfs/dbraw/zinc/63/70/67/517637067.db2.gz LEIAKQKLDFAROQ-DXIQSLLYSA-N 1 3 363.461 2.659 20 0 FFADHO Fc1cc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000530238743 517646415 /nfs/dbraw/zinc/64/64/15/517646415.db2.gz BNXFNTNAKSBGGN-MRXNPFEDSA-N 1 3 356.869 2.948 20 0 FFADHO c1ccc(-c2noc(CCCN3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000530241465 517649827 /nfs/dbraw/zinc/64/98/27/517649827.db2.gz QDYHXWYLTHKKSC-IBGZPJMESA-N 1 3 370.497 2.760 20 0 FFADHO c1nn(Cc2ccccc2)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248152 517654089 /nfs/dbraw/zinc/65/40/89/517654089.db2.gz HKVWGEORCLXNRX-NRFANRHFSA-N 1 3 354.498 2.522 20 0 FFADHO COc1cc2c(cc1CN1CCC(CO[C@H]3CC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000530249623 517656652 /nfs/dbraw/zinc/65/66/52/517656652.db2.gz WQWKKFYRCQALSR-KXBFYZLASA-N 1 3 360.498 2.609 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533986167 517696013 /nfs/dbraw/zinc/69/60/13/517696013.db2.gz LUXIQHZXGURSIO-HSALFYBXSA-N 1 3 358.530 2.851 20 0 FFADHO C[NH+](C)CC1(CNC[C@@H](O)COCc2ccccc2Cl)CCCC1 ZINC000516456791 517698036 /nfs/dbraw/zinc/69/80/36/517698036.db2.gz PJNLLNZWTNLAEA-QGZVFWFLSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000542711991 517699683 /nfs/dbraw/zinc/69/96/83/517699683.db2.gz MWGOSLWRUGQTMF-UWVAXJGDSA-N 1 3 352.567 2.869 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563209651 517739780 /nfs/dbraw/zinc/73/97/80/517739780.db2.gz WFUCGIBBUPYEEA-IRLDBZIGSA-N 1 3 363.505 2.983 20 0 FFADHO NC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563209651 517739788 /nfs/dbraw/zinc/73/97/88/517739788.db2.gz WFUCGIBBUPYEEA-IRLDBZIGSA-N 1 3 363.505 2.983 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@H]1N1CCN(C)CC1 ZINC000538723049 517749860 /nfs/dbraw/zinc/74/98/60/517749860.db2.gz HXZDLVLVFZNOJM-WIYYLYMNSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@H]1N1CCN(C)CC1 ZINC000538723049 517749868 /nfs/dbraw/zinc/74/98/68/517749868.db2.gz HXZDLVLVFZNOJM-WIYYLYMNSA-N 1 3 357.542 2.933 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000542811937 517758469 /nfs/dbraw/zinc/75/84/69/517758469.db2.gz ZETJXKLPROYUDW-BLKABHOGSA-N 1 3 354.494 2.931 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000542811937 517758480 /nfs/dbraw/zinc/75/84/80/517758480.db2.gz ZETJXKLPROYUDW-BLKABHOGSA-N 1 3 354.494 2.931 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000542811937 517758491 /nfs/dbraw/zinc/75/84/91/517758491.db2.gz ZETJXKLPROYUDW-BLKABHOGSA-N 1 3 354.494 2.931 20 0 FFADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000530416427 517761566 /nfs/dbraw/zinc/76/15/66/517761566.db2.gz LDQSVWWSMYMDTM-FQEVSTJZSA-N 1 3 360.546 2.874 20 0 FFADHO Cn1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(-c2cccs2)n1 ZINC000556964134 517778441 /nfs/dbraw/zinc/77/84/41/517778441.db2.gz FOZCLYDELVSERT-QFBILLFUSA-N 1 3 360.527 2.867 20 0 FFADHO CCc1nncn1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000546679690 517796349 /nfs/dbraw/zinc/79/63/49/517796349.db2.gz ZHHQOVHVSBBHBM-VAMGGRTRSA-N 1 3 353.514 2.731 20 0 FFADHO CCc1nncn1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000546679690 517796352 /nfs/dbraw/zinc/79/63/52/517796352.db2.gz ZHHQOVHVSBBHBM-VAMGGRTRSA-N 1 3 353.514 2.731 20 0 FFADHO CCc1nncn1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000546679690 517796357 /nfs/dbraw/zinc/79/63/57/517796357.db2.gz ZHHQOVHVSBBHBM-VAMGGRTRSA-N 1 3 353.514 2.731 20 0 FFADHO C[NH+](C)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000538966489 517868838 /nfs/dbraw/zinc/86/88/38/517868838.db2.gz NDKDOSIQTXMJBP-UHFFFAOYSA-N 1 3 373.570 2.968 20 0 FFADHO COc1ccc(C[C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)c(C)c1OC ZINC000560527125 517873539 /nfs/dbraw/zinc/87/35/39/517873539.db2.gz AFTNVKYXLRZCQI-LPHOPBHVSA-N 1 3 364.530 2.626 20 0 FFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)c2)CCO1 ZINC000560527882 517874806 /nfs/dbraw/zinc/87/48/06/517874806.db2.gz GIJONSYDPZIORF-XYEHWOGUSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)c2)CCO1 ZINC000560527882 517874818 /nfs/dbraw/zinc/87/48/18/517874818.db2.gz GIJONSYDPZIORF-XYEHWOGUSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)c2)CCO1 ZINC000560527882 517874829 /nfs/dbraw/zinc/87/48/29/517874829.db2.gz GIJONSYDPZIORF-XYEHWOGUSA-N 1 3 357.542 2.870 20 0 FFADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@@H]2CCC[C@H]21 ZINC000560545179 517885708 /nfs/dbraw/zinc/88/57/08/517885708.db2.gz OBFSPCIRJHOUIZ-PCCBWWKXSA-N 1 3 370.541 2.669 20 0 FFADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@@H]2CCC[C@H]21 ZINC000560545179 517885718 /nfs/dbraw/zinc/88/57/18/517885718.db2.gz OBFSPCIRJHOUIZ-PCCBWWKXSA-N 1 3 370.541 2.669 20 0 FFADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000539043491 517896035 /nfs/dbraw/zinc/89/60/35/517896035.db2.gz TWARCSRAZFKMPP-HNNXBMFYSA-N 1 3 368.481 2.758 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)C1 ZINC000553783318 517900714 /nfs/dbraw/zinc/90/07/14/517900714.db2.gz JIHFRZBQYJRJTK-JIWOIOHBSA-N 1 3 369.553 2.943 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)C1 ZINC000553783318 517900724 /nfs/dbraw/zinc/90/07/24/517900724.db2.gz JIHFRZBQYJRJTK-JIWOIOHBSA-N 1 3 369.553 2.943 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527815511 517930794 /nfs/dbraw/zinc/93/07/94/517930794.db2.gz JXYKMGPORXMRSD-HKUYNNGSSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527815511 517930805 /nfs/dbraw/zinc/93/08/05/517930805.db2.gz JXYKMGPORXMRSD-HKUYNNGSSA-N 1 3 350.551 2.671 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)[C@H]1c1ccccc1 ZINC000527830861 517941028 /nfs/dbraw/zinc/94/10/28/517941028.db2.gz GALZFSCBEVMICY-HSALFYBXSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)[C@H]1c1ccccc1 ZINC000527830861 517941035 /nfs/dbraw/zinc/94/10/35/517941035.db2.gz GALZFSCBEVMICY-HSALFYBXSA-N 1 3 356.514 2.748 20 0 FFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527859600 517957912 /nfs/dbraw/zinc/95/79/12/517957912.db2.gz QLKSBDHUXFVZBN-CXAGYDPISA-N 1 3 353.869 2.643 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000563544415 517973357 /nfs/dbraw/zinc/97/33/57/517973357.db2.gz MVEMTCDBTHUALE-FPOVZHCZSA-N 1 3 358.530 2.512 20 0 FFADHO C[C@]1(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000563593391 518008799 /nfs/dbraw/zinc/00/87/99/518008799.db2.gz NTLNGZUOAJVOOW-SFHLNBCPSA-N 1 3 358.530 2.858 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522176956 518018611 /nfs/dbraw/zinc/01/86/11/518018611.db2.gz HAJXGAWUKLBOEP-NRFANRHFSA-N 1 3 372.557 2.922 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC(C[NH3+])CC2)c2cccs2)CC1 ZINC000563609761 518023269 /nfs/dbraw/zinc/02/32/69/518023269.db2.gz ZBEMFDRWWXSATP-QGZVFWFLSA-N 1 3 364.559 2.901 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522194475 518026096 /nfs/dbraw/zinc/02/60/96/518026096.db2.gz VBLRFSOIHBEUQA-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522194475 518026104 /nfs/dbraw/zinc/02/61/04/518026104.db2.gz VBLRFSOIHBEUQA-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO NC[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000517340569 518122522 /nfs/dbraw/zinc/12/25/22/518122522.db2.gz QJYDOJIMWWAFGD-ACRUOGEOSA-N 1 3 366.509 2.871 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000522600872 518132396 /nfs/dbraw/zinc/13/23/96/518132396.db2.gz WQMRXASIXHDIGQ-SFHVURJKSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000517417935 518144286 /nfs/dbraw/zinc/14/42/86/518144286.db2.gz FTHJBFYFADMYJC-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000517417935 518144293 /nfs/dbraw/zinc/14/42/93/518144293.db2.gz FTHJBFYFADMYJC-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO Cc1cc(NC(=O)N2CCCC23CCN(C)CC3)n(C2CC[NH+](C)CC2)n1 ZINC000535082159 518148592 /nfs/dbraw/zinc/14/85/92/518148592.db2.gz QQHLSDYRCQCELL-UHFFFAOYSA-N 1 3 374.533 2.550 20 0 FFADHO C[C@@H]1C[C@H]1c1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000522695669 518149960 /nfs/dbraw/zinc/14/99/60/518149960.db2.gz XNERXZMEKKGOQN-DNVCBOLYSA-N 1 3 374.529 2.761 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535164942 518160909 /nfs/dbraw/zinc/16/09/09/518160909.db2.gz CVLKPDFXPDWZDH-ZHALLVOQSA-N 1 3 350.551 2.623 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000535212837 518166534 /nfs/dbraw/zinc/16/65/34/518166534.db2.gz RRSLIHWGMRHOMH-NHCUHLMSSA-N 1 3 370.541 2.634 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3C)CC2)CC1 ZINC000572494471 518220288 /nfs/dbraw/zinc/22/02/88/518220288.db2.gz WXQBWOBPMPMQJT-UHFFFAOYSA-N 1 3 357.542 2.850 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000584230046 518238635 /nfs/dbraw/zinc/23/86/35/518238635.db2.gz HRRGUMDBOIWSDD-URVUXULASA-N 1 3 355.526 2.889 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c2)CC1 ZINC000566884742 518246161 /nfs/dbraw/zinc/24/61/61/518246161.db2.gz OAKNHABVQLHQKG-QGZVFWFLSA-N 1 3 361.534 2.679 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c2)CC1 ZINC000566884742 518246167 /nfs/dbraw/zinc/24/61/67/518246167.db2.gz OAKNHABVQLHQKG-QGZVFWFLSA-N 1 3 361.534 2.679 20 0 FFADHO OC[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]1c1ccccc1 ZINC000572593309 518264782 /nfs/dbraw/zinc/26/47/82/518264782.db2.gz FJVNRWPBXKRWED-PRTQVNTJSA-N 1 3 364.489 2.998 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000575800527 518287265 /nfs/dbraw/zinc/28/72/65/518287265.db2.gz OPYYZJMJAQOJEJ-IZBJGVDFSA-N 1 3 365.562 2.632 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000578606249 518287717 /nfs/dbraw/zinc/28/77/17/518287717.db2.gz LXGQJHSJGJSJKD-VQIMIIECSA-N 1 3 360.502 2.671 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccccc1C(F)(F)F ZINC000578618744 518295545 /nfs/dbraw/zinc/29/55/45/518295545.db2.gz PJMIPRIRIHHQAM-HNNXBMFYSA-N 1 3 358.404 2.662 20 0 FFADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)cc(C)c1OCC(F)(F)F ZINC000567049340 518328033 /nfs/dbraw/zinc/32/80/33/518328033.db2.gz OPYNNYGEJCCFRT-UHFFFAOYSA-N 1 3 359.436 2.582 20 0 FFADHO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@H](CN)c3ccc(F)cc3)C2)n1 ZINC000584412678 518330362 /nfs/dbraw/zinc/33/03/62/518330362.db2.gz NYFYHWCUXFZOIG-ROUUACIJSA-N 1 3 370.472 2.922 20 0 FFADHO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H](CN)c3ccc(F)cc3)C2)n1 ZINC000584412678 518330367 /nfs/dbraw/zinc/33/03/67/518330367.db2.gz NYFYHWCUXFZOIG-ROUUACIJSA-N 1 3 370.472 2.922 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000575894966 518333484 /nfs/dbraw/zinc/33/34/84/518333484.db2.gz UDDJIWADGIZPCX-ICSRJNTNSA-N 1 3 370.497 2.804 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1C ZINC000572763830 518349723 /nfs/dbraw/zinc/34/97/23/518349723.db2.gz CRWHRGQCOSHQKL-FRYIKTPZSA-N 1 3 361.505 2.549 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569920551 518355302 /nfs/dbraw/zinc/35/53/02/518355302.db2.gz HUWXROXCGVKUID-CABCVRRESA-N 1 3 360.420 2.767 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3ccccc3F)CC2)CC1 ZINC000572780934 518358632 /nfs/dbraw/zinc/35/86/32/518358632.db2.gz YZQWBDXYUONTHH-PZJWPPBQSA-N 1 3 373.516 2.994 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](C(C)C)N(C)C)C2)s1 ZINC000567116167 518359677 /nfs/dbraw/zinc/35/96/77/518359677.db2.gz RZUQOSYTGFZABK-SJLPKXTDSA-N 1 3 351.560 2.923 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](C(C)C)N(C)C)C2)s1 ZINC000567116167 518359680 /nfs/dbraw/zinc/35/96/80/518359680.db2.gz RZUQOSYTGFZABK-SJLPKXTDSA-N 1 3 351.560 2.923 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000575972358 518368310 /nfs/dbraw/zinc/36/83/10/518368310.db2.gz KRADKTSETVVXCH-VNTMZGSJSA-N 1 3 356.514 2.511 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000584523865 518381774 /nfs/dbraw/zinc/38/17/74/518381774.db2.gz DONXICDOAHCPDD-JCGIZDLHSA-N 1 3 365.905 2.724 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000576048552 518403215 /nfs/dbraw/zinc/40/32/15/518403215.db2.gz RWSBYIATCSHFIL-AWEZNQCLSA-N 1 3 355.324 2.522 20 0 FFADHO CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000572891398 518409298 /nfs/dbraw/zinc/40/92/98/518409298.db2.gz ANRBDIXIFREDQG-QMMLZNLJSA-N 1 3 357.542 2.858 20 0 FFADHO CCCCOc1cccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000567235433 518422028 /nfs/dbraw/zinc/42/20/28/518422028.db2.gz JZZJPBGRTRCZSF-VQTJNVASSA-N 1 3 373.541 2.803 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000570062853 518424481 /nfs/dbraw/zinc/42/44/81/518424481.db2.gz LBYZNWSKBDSRSA-LJQANCHMSA-N 1 3 374.529 2.869 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000581826655 518457022 /nfs/dbraw/zinc/45/70/22/518457022.db2.gz LFJLXGCLYGSKJF-KRWDZBQOSA-N 1 3 366.509 2.880 20 0 FFADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000564567144 518506071 /nfs/dbraw/zinc/50/60/71/518506071.db2.gz LKHIDVMNAFRFHV-BBRMVZONSA-N 1 3 357.420 2.594 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000581941212 518513276 /nfs/dbraw/zinc/51/32/76/518513276.db2.gz WCGMRHFNPBQNCL-HXUWFJFHSA-N 1 3 369.509 2.969 20 0 FFADHO CN(C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000579098833 518521309 /nfs/dbraw/zinc/52/13/09/518521309.db2.gz YRUIPYDQSCRHLU-VQTJNVASSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000579107254 518526348 /nfs/dbraw/zinc/52/63/48/518526348.db2.gz FEGNWHVLVUSQRI-WOJBJXKFSA-N 1 3 352.482 2.557 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)CN1CCCC1 ZINC000576377134 518563597 /nfs/dbraw/zinc/56/35/97/518563597.db2.gz BDZZPBJTBRPICI-INIZCTEOSA-N 1 3 357.498 2.773 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)CC1 ZINC000564688718 518564725 /nfs/dbraw/zinc/56/47/25/518564725.db2.gz ZPNCGURKJNPNJL-UHFFFAOYSA-N 1 3 373.570 2.783 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000576407336 518578291 /nfs/dbraw/zinc/57/82/91/518578291.db2.gz RSYIDOMIJFEBFI-HKUYNNGSSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](NCCC(=O)Nc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576407336 518578300 /nfs/dbraw/zinc/57/83/00/518578300.db2.gz RSYIDOMIJFEBFI-HKUYNNGSSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](NCCC(=O)Nc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576407336 518578308 /nfs/dbraw/zinc/57/83/08/518578308.db2.gz RSYIDOMIJFEBFI-HKUYNNGSSA-N 1 3 352.482 2.910 20 0 FFADHO CCSCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000576441844 518593306 /nfs/dbraw/zinc/59/33/06/518593306.db2.gz LSPJDQQMZBWWJL-UHFFFAOYSA-N 1 3 352.548 2.897 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000576519510 518633170 /nfs/dbraw/zinc/63/31/70/518633170.db2.gz HUMPTCWDPOKPRK-QZTJIDSGSA-N 1 3 353.551 2.647 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000576519510 518633174 /nfs/dbraw/zinc/63/31/74/518633174.db2.gz HUMPTCWDPOKPRK-QZTJIDSGSA-N 1 3 353.551 2.647 20 0 FFADHO Cc1cc(NC(=O)CCNCc2cccc(C[NH+]3CCCCCC3)c2)no1 ZINC000564848563 518650586 /nfs/dbraw/zinc/65/05/86/518650586.db2.gz YEIJZBYYILTGFJ-UHFFFAOYSA-N 1 3 370.497 2.899 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000582232111 518651246 /nfs/dbraw/zinc/65/12/46/518651246.db2.gz HRGKWDDCEKJFKV-IOMROCGXSA-N 1 3 373.541 2.560 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000582232112 518651376 /nfs/dbraw/zinc/65/13/76/518651376.db2.gz HRGKWDDCEKJFKV-WMQCIHAUSA-N 1 3 373.541 2.560 20 0 FFADHO Cc1ccc(-c2noc(CN3CCN(C[C@H]4CC[NH2+][C@@H](C)C4)CC3)n2)cc1 ZINC000570615589 518694507 /nfs/dbraw/zinc/69/45/07/518694507.db2.gz FYCYVGMOMNCFEL-ROUUACIJSA-N 1 3 369.513 2.551 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564933942 518703551 /nfs/dbraw/zinc/70/35/51/518703551.db2.gz KXMPHGLUHCEGRY-SCTDSRPQSA-N 1 3 367.578 2.749 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CCNC3)[C@@H](C)C1 ZINC000576728324 518733837 /nfs/dbraw/zinc/73/38/37/518733837.db2.gz UHKGPXYHXTXJGJ-QFBILLFUSA-N 1 3 374.529 2.591 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CCNC3)[C@@H](C)C1 ZINC000576728324 518733843 /nfs/dbraw/zinc/73/38/43/518733843.db2.gz UHKGPXYHXTXJGJ-QFBILLFUSA-N 1 3 374.529 2.591 20 0 FFADHO C[C@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000567842691 518741320 /nfs/dbraw/zinc/74/13/20/518741320.db2.gz XNMVIFRBHMPHKJ-WEFJBSGNSA-N 1 3 355.457 2.805 20 0 FFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C(C)C ZINC000588304149 518773191 /nfs/dbraw/zinc/77/31/91/518773191.db2.gz BEIBOAIETXKXPL-UHFFFAOYSA-N 1 3 352.498 2.629 20 0 FFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C(C)C ZINC000588304149 518773195 /nfs/dbraw/zinc/77/31/95/518773195.db2.gz BEIBOAIETXKXPL-UHFFFAOYSA-N 1 3 352.498 2.629 20 0 FFADHO Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H]4CN(C)CC[C@H]43)cc2)no1 ZINC000582514393 518789282 /nfs/dbraw/zinc/78/92/82/518789282.db2.gz NEFHBLHQSJZZTH-IEBWSBKVSA-N 1 3 356.470 2.873 20 0 FFADHO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H]4CN(C)CC[C@H]43)cc2)no1 ZINC000582514393 518789290 /nfs/dbraw/zinc/78/92/90/518789290.db2.gz NEFHBLHQSJZZTH-IEBWSBKVSA-N 1 3 356.470 2.873 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000567947990 518797160 /nfs/dbraw/zinc/79/71/60/518797160.db2.gz DWDQQMZCMKSYFZ-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000570839847 518806670 /nfs/dbraw/zinc/80/66/70/518806670.db2.gz PBWOLKSHDFDYLV-OXJNMPFZSA-N 1 3 352.482 2.608 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(OC)cc3)CC2)CC1 ZINC000565170547 518822794 /nfs/dbraw/zinc/82/27/94/518822794.db2.gz ILTHTQAGGUPAJA-UHFFFAOYSA-N 1 3 373.541 2.850 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNCCN2C(=O)c3ccccc3C2=O)c1 ZINC000573771209 518826079 /nfs/dbraw/zinc/82/60/79/518826079.db2.gz QCDOLTJCHIAOND-UHFFFAOYSA-N 1 3 351.450 2.524 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNCCN2C(=O)c3ccccc3C2=O)c1 ZINC000573771209 518826086 /nfs/dbraw/zinc/82/60/86/518826086.db2.gz QCDOLTJCHIAOND-UHFFFAOYSA-N 1 3 351.450 2.524 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000582594245 518828576 /nfs/dbraw/zinc/82/85/76/518828576.db2.gz FHEDTUQVCOTKNT-OAHLLOKOSA-N 1 3 366.893 2.672 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC[C@@H]3CCCCO3)CC2)CC1 ZINC000565194475 518837503 /nfs/dbraw/zinc/83/75/03/518837503.db2.gz LIOJHAPWXHUENO-FQEVSTJZSA-N 1 3 365.562 2.648 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000570940962 518853750 /nfs/dbraw/zinc/85/37/50/518853750.db2.gz YHXMSQBUZBLRTB-NVXWUHKLSA-N 1 3 355.320 2.626 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000570940962 518853756 /nfs/dbraw/zinc/85/37/56/518853756.db2.gz YHXMSQBUZBLRTB-NVXWUHKLSA-N 1 3 355.320 2.626 20 0 FFADHO C[C@@]1(O)CCCN(Cc2cncc(C[N@@H+]3CCC[C@@](C)(O)CC3)c2)CC1 ZINC000579918918 518915613 /nfs/dbraw/zinc/91/56/13/518915613.db2.gz WQYCHIGOSLSLMB-NHCUHLMSSA-N 1 3 361.530 2.555 20 0 FFADHO C[C@@]1(O)CCCN(Cc2cncc(C[N@H+]3CCC[C@@](C)(O)CC3)c2)CC1 ZINC000579918918 518915620 /nfs/dbraw/zinc/91/56/20/518915620.db2.gz WQYCHIGOSLSLMB-NHCUHLMSSA-N 1 3 361.530 2.555 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1CCN(C)CC1 ZINC000571108179 518928423 /nfs/dbraw/zinc/92/84/23/518928423.db2.gz OLLLXTLLRVHGQW-INIZCTEOSA-N 1 3 368.363 2.997 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000574022106 518948451 /nfs/dbraw/zinc/94/84/51/518948451.db2.gz HFUPXJUYMAFBAO-UXHICEINSA-N 1 3 350.466 2.899 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000577219449 518970911 /nfs/dbraw/zinc/97/09/11/518970911.db2.gz FYZJPEBKYSWBKX-HXUWFJFHSA-N 1 3 354.498 2.810 20 0 FFADHO CC(C)[C@@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[NH+]1CCCCC1 ZINC000571239477 518995732 /nfs/dbraw/zinc/99/57/32/518995732.db2.gz GTEUBCYBIIXPFX-FQEVSTJZSA-N 1 3 360.546 2.872 20 0 FFADHO O=C(C[NH2+]C1(Cc2ccccc2)CCCC1)NC1CCN(C2CC2)CC1 ZINC000574120169 518996304 /nfs/dbraw/zinc/99/63/04/518996304.db2.gz JQJSTWDXOSFVKL-UHFFFAOYSA-N 1 3 355.526 2.875 20 0 FFADHO Cc1cccc(C(=O)NCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000577274187 519001264 /nfs/dbraw/zinc/00/12/64/519001264.db2.gz MQZVMCNDULRLRC-UGKGYDQZSA-N 1 3 365.477 2.570 20 0 FFADHO [NH3+]C[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)c1ccccc1 ZINC000571321116 519038061 /nfs/dbraw/zinc/03/80/61/519038061.db2.gz RQJHBQGQNDTOJK-QFIPXVFZSA-N 1 3 365.521 2.896 20 0 FFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000580185780 519049021 /nfs/dbraw/zinc/04/90/21/519049021.db2.gz WKZRYJBKVUCYNR-INIZCTEOSA-N 1 3 363.477 2.553 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000565647615 519060958 /nfs/dbraw/zinc/06/09/58/519060958.db2.gz YXJDVLHQQCVKKH-IPLXSBJHSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccncc1OCCN(C)C ZINC000577418728 519070882 /nfs/dbraw/zinc/07/08/82/519070882.db2.gz HXTGDGXDTAIKGP-MRXNPFEDSA-N 1 3 371.481 2.862 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)N(C)C)cc1 ZINC000568608438 519125907 /nfs/dbraw/zinc/12/59/07/519125907.db2.gz SWTDZGAINQXHLV-PWRODBHTSA-N 1 3 366.509 2.653 20 0 FFADHO CN(C(=O)[C@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000565776944 519127738 /nfs/dbraw/zinc/12/77/38/519127738.db2.gz MWARCQAWBATKBJ-NHCUHLMSSA-N 1 3 369.484 2.991 20 0 FFADHO CC(C)[NH+](CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)C ZINC000577557222 519137193 /nfs/dbraw/zinc/13/71/93/519137193.db2.gz DIATUPQRVCUFRT-HXUWFJFHSA-N 1 3 360.546 2.919 20 0 FFADHO CC[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000568668424 519156068 /nfs/dbraw/zinc/15/60/68/519156068.db2.gz YVSBRHZJILGKSX-HXUWFJFHSA-N 1 3 355.526 2.814 20 0 FFADHO CC(C)N1CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000590156461 519163350 /nfs/dbraw/zinc/16/33/50/519163350.db2.gz YLXRMIVZQYRDTK-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)CCSC)CC2)CC1 ZINC000571579252 519164645 /nfs/dbraw/zinc/16/46/45/519164645.db2.gz KEZWUPRNRHHPFK-MRXNPFEDSA-N 1 3 355.592 2.783 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000571632769 519192278 /nfs/dbraw/zinc/19/22/78/519192278.db2.gz AOTMPHKETLBMSA-KXBFYZLASA-N 1 3 373.570 2.550 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000565943262 519209018 /nfs/dbraw/zinc/20/90/18/519209018.db2.gz ATNMLDXYZWFJBL-NRFANRHFSA-N 1 3 373.520 2.859 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000565943262 519209028 /nfs/dbraw/zinc/20/90/28/519209028.db2.gz ATNMLDXYZWFJBL-NRFANRHFSA-N 1 3 373.520 2.859 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000580540326 519228626 /nfs/dbraw/zinc/22/86/26/519228626.db2.gz ZMARTPVFCPDSEV-YTQUADARSA-N 1 3 358.530 2.757 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000580543929 519232005 /nfs/dbraw/zinc/23/20/05/519232005.db2.gz YYCDITHERKFRHX-JPYJTQIMSA-N 1 3 368.521 2.898 20 0 FFADHO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000580543865 519232186 /nfs/dbraw/zinc/23/21/86/519232186.db2.gz VGFNCCBFVVIROY-HSZRJFAPSA-N 1 3 368.521 2.727 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000577745698 519234790 /nfs/dbraw/zinc/23/47/90/519234790.db2.gz RZCFYBRMUCHOEC-QUCCMNQESA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000577745698 519234799 /nfs/dbraw/zinc/23/47/99/519234799.db2.gz RZCFYBRMUCHOEC-QUCCMNQESA-N 1 3 355.526 2.841 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccc(C[NH3+])cc1 ZINC000566068433 519277171 /nfs/dbraw/zinc/27/71/71/519277171.db2.gz JCOUWYYANICVII-UHFFFAOYSA-N 1 3 354.406 2.977 20 0 FFADHO C[N@H+](C[C@H](O)CNC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1CC1 ZINC000566118021 519313822 /nfs/dbraw/zinc/31/38/22/519313822.db2.gz RLSYHXNEHLJVDB-WOJBJXKFSA-N 1 3 365.949 2.739 20 0 FFADHO C[N@@H+](C[C@H](O)CNC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1CC1 ZINC000566118021 519313826 /nfs/dbraw/zinc/31/38/26/519313826.db2.gz RLSYHXNEHLJVDB-WOJBJXKFSA-N 1 3 365.949 2.739 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000571890703 519332722 /nfs/dbraw/zinc/33/27/22/519332722.db2.gz ZNVJJMPMQRURGJ-TZIWHRDSSA-N 1 3 369.513 2.602 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC[C@@H]3C3CC3)CC2)CC1 ZINC000578026140 519378417 /nfs/dbraw/zinc/37/84/17/519378417.db2.gz KHNGFUFDAYOIPV-LJQANCHMSA-N 1 3 365.587 2.537 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CC2CCCCC2)[C@H](C)C1 ZINC000566297825 519420168 /nfs/dbraw/zinc/42/01/68/519420168.db2.gz RDZGOEQOPMDTEZ-QRQLOZEOSA-N 1 3 353.551 2.537 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CC2CCCCC2)[C@H](C)C1 ZINC000566297825 519420174 /nfs/dbraw/zinc/42/01/74/519420174.db2.gz RDZGOEQOPMDTEZ-QRQLOZEOSA-N 1 3 353.551 2.537 20 0 FFADHO NC(=O)c1ccc(-c2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000566302747 519424188 /nfs/dbraw/zinc/42/41/88/519424188.db2.gz SFPLOCQMBFDKNY-DLBZAZTESA-N 1 3 370.522 2.731 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127180 519432279 /nfs/dbraw/zinc/43/22/79/519432279.db2.gz GSQGKCYPHOKOOU-BBRMVZONSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127180 519432287 /nfs/dbraw/zinc/43/22/87/519432287.db2.gz GSQGKCYPHOKOOU-BBRMVZONSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127180 519432295 /nfs/dbraw/zinc/43/22/95/519432295.db2.gz GSQGKCYPHOKOOU-BBRMVZONSA-N 1 3 358.404 2.519 20 0 FFADHO CN(C(=O)c1conc1C(C)(C)N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000566472711 519511121 /nfs/dbraw/zinc/51/11/21/519511121.db2.gz SAFJOGAUSPTGAJ-UHFFFAOYSA-N 1 3 356.470 2.605 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)c1conc1C(C)(C)N)c1ccsc1 ZINC000569378613 519520469 /nfs/dbraw/zinc/52/04/69/519520469.db2.gz WXRXQNJPESIKHE-CQSZACIVSA-N 1 3 350.488 2.743 20 0 FFADHO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000578321701 519534422 /nfs/dbraw/zinc/53/44/22/519534422.db2.gz VRSXZOXKKFIIKG-IBGZPJMESA-N 1 3 358.530 2.722 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)ncn1 ZINC000581185223 519564731 /nfs/dbraw/zinc/56/47/31/519564731.db2.gz INBAYKFEJGLLKI-ZGXWSNOMSA-N 1 3 357.546 2.908 20 0 FFADHO C[C@H](NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000581185019 519565187 /nfs/dbraw/zinc/56/51/87/519565187.db2.gz AHXYRDPYQGGGKP-NUEKZKHPSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCNC1 ZINC000581185019 519565192 /nfs/dbraw/zinc/56/51/92/519565192.db2.gz AHXYRDPYQGGGKP-NUEKZKHPSA-N 1 3 360.420 2.714 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNCC3(C[NH+](C)C)CCCC3)c2cc1C ZINC000581187046 519566024 /nfs/dbraw/zinc/56/60/24/519566024.db2.gz UMDFGOSVDPJTEC-GOSISDBHSA-N 1 3 358.530 2.726 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000581240576 519593856 /nfs/dbraw/zinc/59/38/56/519593856.db2.gz MMEVATSYUDRZFN-KONPQCLYSA-N 1 3 364.559 2.948 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594493752 520001833 /nfs/dbraw/zinc/00/18/33/520001833.db2.gz KABNGZBBCQARGE-NRFANRHFSA-N 1 3 373.541 2.858 20 0 FFADHO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000608684939 520080653 /nfs/dbraw/zinc/08/06/53/520080653.db2.gz DGGGPTFWYPGVQP-RTWAWAEBSA-N 1 3 368.525 2.869 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000594950017 520227113 /nfs/dbraw/zinc/22/71/13/520227113.db2.gz WFAOSNPRPAVTMZ-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000594950017 520227116 /nfs/dbraw/zinc/22/71/16/520227116.db2.gz WFAOSNPRPAVTMZ-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000604097227 520449888 /nfs/dbraw/zinc/44/98/88/520449888.db2.gz OMCPMGZSHNENIZ-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000604097227 520449894 /nfs/dbraw/zinc/44/98/94/520449894.db2.gz OMCPMGZSHNENIZ-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)ccc2o1 ZINC000600755852 520450545 /nfs/dbraw/zinc/45/05/45/520450545.db2.gz PSRRBXRPVIKUCG-SFHVURJKSA-N 1 3 372.465 2.810 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604201638 520483976 /nfs/dbraw/zinc/48/39/76/520483976.db2.gz CRPDRTFERGCZLK-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000600843405 520495885 /nfs/dbraw/zinc/49/58/85/520495885.db2.gz APTWNZXXIBSCNV-RTWAWAEBSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000600843405 520495894 /nfs/dbraw/zinc/49/58/94/520495894.db2.gz APTWNZXXIBSCNV-RTWAWAEBSA-N 1 3 372.557 2.997 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000600858456 520501112 /nfs/dbraw/zinc/50/11/12/520501112.db2.gz JPDGNIUAPUMZNK-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000600858456 520501118 /nfs/dbraw/zinc/50/11/18/520501118.db2.gz JPDGNIUAPUMZNK-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000617506426 520541843 /nfs/dbraw/zinc/54/18/43/520541843.db2.gz MXEGXHXVNCEXAQ-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000617506426 520541848 /nfs/dbraw/zinc/54/18/48/520541848.db2.gz MXEGXHXVNCEXAQ-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000617504731 520543574 /nfs/dbraw/zinc/54/35/74/520543574.db2.gz HOTKDVVAVJPNSO-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000617504731 520543580 /nfs/dbraw/zinc/54/35/80/520543580.db2.gz HOTKDVVAVJPNSO-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592953918 520659470 /nfs/dbraw/zinc/65/94/70/520659470.db2.gz HCJXJOINNWNJHB-MJGOQNOKSA-N 1 3 369.513 2.532 20 0 FFADHO CCOC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595905206 520812149 /nfs/dbraw/zinc/81/21/49/520812149.db2.gz QQVYWCISBGXJAD-CRAIPNDOSA-N 1 3 361.486 2.641 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000593318646 520906910 /nfs/dbraw/zinc/90/69/10/520906910.db2.gz RBCABOHQGATWKF-HNNXBMFYSA-N 1 3 369.465 2.700 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000606702700 521142816 /nfs/dbraw/zinc/14/28/16/521142816.db2.gz CPSZCGPUYJJERE-INIZCTEOSA-N 1 3 364.509 2.629 20 0 FFADHO COC(=O)[C@](C)(O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596594439 521153155 /nfs/dbraw/zinc/15/31/55/521153155.db2.gz VAFJROHYVDERSW-SIKLNZKXSA-N 1 3 374.525 2.533 20 0 FFADHO COC(=O)[C@](C)(O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596594439 521153166 /nfs/dbraw/zinc/15/31/66/521153166.db2.gz VAFJROHYVDERSW-SIKLNZKXSA-N 1 3 374.525 2.533 20 0 FFADHO CN1CCCC12CC[NH+](CC1(O)CCC(C(=O)OC(C)(C)C)CC1)CC2 ZINC000599345479 521164983 /nfs/dbraw/zinc/16/49/83/521164983.db2.gz RJMFXYUTLLNSJY-UHFFFAOYSA-N 1 3 366.546 2.810 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000618659388 521170880 /nfs/dbraw/zinc/17/08/80/521170880.db2.gz HVHBRNHDKPYKQE-PMACEKPBSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000618659388 521170887 /nfs/dbraw/zinc/17/08/87/521170887.db2.gz HVHBRNHDKPYKQE-PMACEKPBSA-N 1 3 370.541 2.817 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661400 521174562 /nfs/dbraw/zinc/17/45/62/521174562.db2.gz WLUXDDUXYFAIOC-QGZVFWFLSA-N 1 3 359.514 2.764 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661400 521174568 /nfs/dbraw/zinc/17/45/68/521174568.db2.gz WLUXDDUXYFAIOC-QGZVFWFLSA-N 1 3 359.514 2.764 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)ccc2o1 ZINC000593736276 521182895 /nfs/dbraw/zinc/18/28/95/521182895.db2.gz LHMOFAMKGYMWKI-IEZWGBDMSA-N 1 3 372.465 2.938 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)c3cccc(CN(C)C)c3)CCCC2)CC1 ZINC000607385874 521350643 /nfs/dbraw/zinc/35/06/43/521350643.db2.gz VQTHSUOKKXSNFK-UHFFFAOYSA-N 1 3 373.541 2.902 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000615671962 521497598 /nfs/dbraw/zinc/49/75/98/521497598.db2.gz ATTFTKMYBXPKRC-ZWKOTPCHSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000615671962 521497604 /nfs/dbraw/zinc/49/76/04/521497604.db2.gz ATTFTKMYBXPKRC-ZWKOTPCHSA-N 1 3 352.567 2.869 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)o1 ZINC000615689879 521502302 /nfs/dbraw/zinc/50/23/02/521502302.db2.gz SVAMCYQKLDZENT-KRWDZBQOSA-N 1 3 352.523 2.638 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000615853432 521557963 /nfs/dbraw/zinc/55/79/63/521557963.db2.gz KFHSKJCLSVXPEC-TZIWHRDSSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000615853432 521557972 /nfs/dbraw/zinc/55/79/72/521557972.db2.gz KFHSKJCLSVXPEC-TZIWHRDSSA-N 1 3 374.573 2.971 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000615854190 521558101 /nfs/dbraw/zinc/55/81/01/521558101.db2.gz JRSUCFYZYLGPJM-HXUWFJFHSA-N 1 3 360.546 2.579 20 0 FFADHO COC(=O)c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)o1 ZINC000597190298 521565966 /nfs/dbraw/zinc/56/59/66/521565966.db2.gz BONAHKQGWORFAY-UHFFFAOYSA-N 1 3 357.454 2.771 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000608301960 521648309 /nfs/dbraw/zinc/64/83/09/521648309.db2.gz XZWSMKHKSKNOBR-AEFFLSMTSA-N 1 3 362.518 2.964 20 0 FFADHO COc1ccccc1NC(=O)C[C@H](C)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635004332 521860679 /nfs/dbraw/zinc/86/06/79/521860679.db2.gz HZXNAMTWKVNLKJ-WMZOPIPTSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635004332 521860693 /nfs/dbraw/zinc/86/06/93/521860693.db2.gz HZXNAMTWKVNLKJ-WMZOPIPTSA-N 1 3 355.482 2.962 20 0 FFADHO COCCc1nc(C)c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000635009306 521863437 /nfs/dbraw/zinc/86/34/37/521863437.db2.gz MYVSDEOCBGWFML-CYBMUJFWSA-N 1 3 361.515 2.618 20 0 FFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000635006214 521864895 /nfs/dbraw/zinc/86/48/95/521864895.db2.gz BAUAKVVQVZDCMC-AWEZNQCLSA-N 1 3 351.454 2.549 20 0 FFADHO COCCOc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1 ZINC000635010781 521865920 /nfs/dbraw/zinc/86/59/20/521865920.db2.gz VMGARCDYGWGIJZ-MRXNPFEDSA-N 1 3 356.470 2.690 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000623414249 522005893 /nfs/dbraw/zinc/00/58/93/522005893.db2.gz ZEPMPJFYBIZNEP-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000623414249 522005897 /nfs/dbraw/zinc/00/58/97/522005897.db2.gz ZEPMPJFYBIZNEP-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C1=CCN(C)CC1 ZINC000626408623 522168973 /nfs/dbraw/zinc/16/89/73/522168973.db2.gz CFPNERUBRHXVEJ-VOQZNFBZSA-N 1 3 367.537 2.911 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)C1=CCN(C)CC1 ZINC000626408623 522168981 /nfs/dbraw/zinc/16/89/81/522168981.db2.gz CFPNERUBRHXVEJ-VOQZNFBZSA-N 1 3 367.537 2.911 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623790255 522286640 /nfs/dbraw/zinc/28/66/40/522286640.db2.gz DHGFDKYGRWTDQP-ZWKOTPCHSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623790255 522286655 /nfs/dbraw/zinc/28/66/55/522286655.db2.gz DHGFDKYGRWTDQP-ZWKOTPCHSA-N 1 3 373.545 2.638 20 0 FFADHO CC1CC[NH+](CCC[C@H](NC[C@H]2COCCN2)c2ccc(F)cc2)CC1 ZINC000629537254 522300207 /nfs/dbraw/zinc/30/02/07/522300207.db2.gz NAPBCURBIZKBHX-SFTDATJTSA-N 1 3 363.521 2.957 20 0 FFADHO CC(C)(CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000632837159 522317441 /nfs/dbraw/zinc/31/74/41/522317441.db2.gz XKLNJWFSAWLTEF-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000620623574 522320707 /nfs/dbraw/zinc/32/07/07/522320707.db2.gz AACHJFVOLDQETR-UHFFFAOYSA-N 1 3 360.546 2.679 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000620623574 522320711 /nfs/dbraw/zinc/32/07/11/522320711.db2.gz AACHJFVOLDQETR-UHFFFAOYSA-N 1 3 360.546 2.679 20 0 FFADHO CC[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1C(F)(F)F ZINC000629568661 522322736 /nfs/dbraw/zinc/32/27/36/522322736.db2.gz SLMRDSGBLKJCSD-GJZGRUSLSA-N 1 3 360.420 2.909 20 0 FFADHO CN1CC[C@H](C[NH2+]C[C@@H](O)CN2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000629573558 522326316 /nfs/dbraw/zinc/32/63/16/522326316.db2.gz FNQSTSHCMISZPU-MDZRGWNJSA-N 1 3 369.912 2.518 20 0 FFADHO CN1CC[C@H](CNC[C@@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000629573558 522326327 /nfs/dbraw/zinc/32/63/27/522326327.db2.gz FNQSTSHCMISZPU-MDZRGWNJSA-N 1 3 369.912 2.518 20 0 FFADHO O[C@@H](CNCC/C=C/c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000629596179 522340769 /nfs/dbraw/zinc/34/07/69/522340769.db2.gz FIKGFXHPSATFTG-CYRXYLPISA-N 1 3 353.304 2.899 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000632922022 522395894 /nfs/dbraw/zinc/39/58/94/522395894.db2.gz FZTYIDUMCSIYPC-IAGOWNOFSA-N 1 3 360.502 2.610 20 0 FFADHO CN1CCC(n2cc(NC(=O)NCC[NH2+]C3CCCCCC3)cn2)CC1 ZINC000632960755 522429547 /nfs/dbraw/zinc/42/95/47/522429547.db2.gz LGAQXOZSQHYLTF-UHFFFAOYSA-N 1 3 362.522 2.584 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000624074411 522459397 /nfs/dbraw/zinc/45/93/97/522459397.db2.gz BNQACHPGFJWKRE-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000624074411 522459400 /nfs/dbraw/zinc/45/94/00/522459400.db2.gz BNQACHPGFJWKRE-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000626921832 522531455 /nfs/dbraw/zinc/53/14/55/522531455.db2.gz KASGXPYJRNAERG-XHSDSOJGSA-N 1 3 350.532 2.571 20 0 FFADHO C[C@H](NCc1ccc2oc(=O)n(C)c2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000624202459 522538792 /nfs/dbraw/zinc/53/87/92/522538792.db2.gz BDUHRFNXSRNERA-HNNXBMFYSA-N 1 3 369.465 2.923 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCNC[C@@H]1C(C)C)c1ccsc1 ZINC000626933924 522539902 /nfs/dbraw/zinc/53/99/02/522539902.db2.gz PYOHTRXQUWYCLT-IAGOWNOFSA-N 1 3 352.548 2.770 20 0 FFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCC1 ZINC000629967211 522555387 /nfs/dbraw/zinc/55/53/87/522555387.db2.gz IDCHCUKGLJPWOD-JOCHJYFZSA-N 1 3 355.526 2.985 20 0 FFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000629967211 522555392 /nfs/dbraw/zinc/55/53/92/522555392.db2.gz IDCHCUKGLJPWOD-JOCHJYFZSA-N 1 3 355.526 2.985 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626978296 522568943 /nfs/dbraw/zinc/56/89/43/522568943.db2.gz BVPMBCUFZSBYBS-MOPGFXCFSA-N 1 3 356.514 2.797 20 0 FFADHO CN(CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCC1 ZINC000630016746 522581160 /nfs/dbraw/zinc/58/11/60/522581160.db2.gz JZZOVHRCATYSFD-IBGZPJMESA-N 1 3 355.526 2.889 20 0 FFADHO CN(CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCC1 ZINC000630016746 522581166 /nfs/dbraw/zinc/58/11/66/522581166.db2.gz JZZOVHRCATYSFD-IBGZPJMESA-N 1 3 355.526 2.889 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627015499 522591839 /nfs/dbraw/zinc/59/18/39/522591839.db2.gz SFGFICYLOFBWIO-FCEUIQTBSA-N 1 3 372.557 2.784 20 0 FFADHO C[C@](O)(C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)C1CC1 ZINC000630041518 522602864 /nfs/dbraw/zinc/60/28/64/522602864.db2.gz NGEVKUAXXISGGT-SWUCNREESA-N 1 3 372.553 2.885 20 0 FFADHO C[C@](O)(C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)C1CC1 ZINC000630041518 522602874 /nfs/dbraw/zinc/60/28/74/522602874.db2.gz NGEVKUAXXISGGT-SWUCNREESA-N 1 3 372.553 2.885 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)N(C)C)cc1 ZINC000627037747 522609801 /nfs/dbraw/zinc/60/98/01/522609801.db2.gz UPPJXXRTRCNIDO-AYBZRNKSSA-N 1 3 362.518 2.516 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000627165890 522690713 /nfs/dbraw/zinc/69/07/13/522690713.db2.gz JPQSLMOLBCOTGO-TUNNFDKTSA-N 1 3 370.541 2.825 20 0 FFADHO CN(C)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000633766621 522981801 /nfs/dbraw/zinc/98/18/01/522981801.db2.gz QWJYFFDBUJTGLJ-INIZCTEOSA-N 1 3 357.420 2.766 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CC3CCC(F)(F)CC3)CC2)CC1 ZINC000624930596 523033946 /nfs/dbraw/zinc/03/39/46/523033946.db2.gz AACPMQJUOKVIMU-UHFFFAOYSA-N 1 3 357.489 2.877 20 0 FFADHO Cc1ccc(CO[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000624935314 523038586 /nfs/dbraw/zinc/03/85/86/523038586.db2.gz IQKHYQRJSQQTCG-GOSISDBHSA-N 1 3 373.541 2.575 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738972 523065815 /nfs/dbraw/zinc/06/58/15/523065815.db2.gz PVTICKAJZNCAPM-UHFFFAOYSA-N 1 3 371.525 2.609 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627738972 523065829 /nfs/dbraw/zinc/06/58/29/523065829.db2.gz PVTICKAJZNCAPM-UHFFFAOYSA-N 1 3 371.525 2.609 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cn2)CC1 ZINC000634096986 523184527 /nfs/dbraw/zinc/18/45/27/523184527.db2.gz RGKQQSYYSBXTBD-GJZGRUSLSA-N 1 3 374.407 2.836 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634713764 523604352 /nfs/dbraw/zinc/60/43/52/523604352.db2.gz AQHIYGUSAJMPTH-NNWRFLSQSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@](O)(C[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634713764 523604364 /nfs/dbraw/zinc/60/43/64/523604364.db2.gz AQHIYGUSAJMPTH-NNWRFLSQSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CC1 ZINC000634713764 523604377 /nfs/dbraw/zinc/60/43/77/523604377.db2.gz AQHIYGUSAJMPTH-NNWRFLSQSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@H]1CC[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C[NH2+]1 ZINC000625854757 523720505 /nfs/dbraw/zinc/72/05/05/523720505.db2.gz FUTQHUAMTDLMMB-MAUKXSAKSA-N 1 3 362.543 2.540 20 0 FFADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)C1 ZINC000631648034 523734243 /nfs/dbraw/zinc/73/42/43/523734243.db2.gz UUUBCVQSPZWGGE-MHTWAQMVSA-N 1 3 356.510 2.691 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000631664509 523742772 /nfs/dbraw/zinc/74/27/72/523742772.db2.gz OIJJKZVKLMIBQE-CBQOVEMMSA-N 1 3 357.542 2.597 20 0 FFADHO COc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1-c1nnn[n-]1 ZINC000821803555 606205504 /nfs/dbraw/zinc/20/55/04/606205504.db2.gz GBFJCBWZDPBQOY-UHFFFAOYSA-N 1 3 370.501 2.762 20 0 FFADHO COc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1-c1nn[n-]n1 ZINC000821803555 606205506 /nfs/dbraw/zinc/20/55/06/606205506.db2.gz GBFJCBWZDPBQOY-UHFFFAOYSA-N 1 3 370.501 2.762 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N)n1)CC2 ZINC001164710645 720105674 /nfs/dbraw/zinc/10/56/74/720105674.db2.gz KKEDNVXPDKPYON-GOSISDBHSA-N 1 3 367.497 2.566 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N)n1)CC2 ZINC001164710645 720105678 /nfs/dbraw/zinc/10/56/78/720105678.db2.gz KKEDNVXPDKPYON-GOSISDBHSA-N 1 3 367.497 2.566 20 0 FFADHO CN1CCC(NC(=S)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000063145568 728134507 /nfs/dbraw/zinc/13/45/07/728134507.db2.gz QCSSJQZWIXJFRG-UHFFFAOYSA-N 1 3 360.571 2.731 20 0 FFADHO CN1CCC[C@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)[C@H]1c1cccs1 ZINC000638671424 730038606 /nfs/dbraw/zinc/03/86/06/730038606.db2.gz PTFZEOGKOFEJJR-APWZRJJASA-N 1 3 365.587 2.956 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000638908476 730051219 /nfs/dbraw/zinc/05/12/19/730051219.db2.gz DIBRKKFVJCZQFY-OAHLLOKOSA-N 1 3 369.912 2.883 20 0 FFADHO CCCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCN(C)C1 ZINC000645341229 730545648 /nfs/dbraw/zinc/54/56/48/730545648.db2.gz LIHYVGPJSWPYFW-LJQANCHMSA-N 1 3 350.551 2.909 20 0 FFADHO OC[C@H](c1ccc(Cl)cc1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649412878 730883340 /nfs/dbraw/zinc/88/33/40/730883340.db2.gz CINVYXBWVVVUBX-HXUWFJFHSA-N 1 3 365.949 2.771 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000654372080 731355150 /nfs/dbraw/zinc/35/51/50/731355150.db2.gz BMGNEKZYDLZORE-HYVNUMGLSA-N 1 3 352.548 2.770 20 0 FFADHO CC1(C)[C@H]([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925669823 738521658 /nfs/dbraw/zinc/52/16/58/738521658.db2.gz FRUFINIWAXUXEJ-HYVNUMGLSA-N 1 3 364.921 2.639 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(CC(F)F)C3)CC2)CC1 ZINC000655159175 731433259 /nfs/dbraw/zinc/43/32/59/731433259.db2.gz VGLPQYVXVFOTER-UHFFFAOYSA-N 1 3 357.489 2.686 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446408 731458308 /nfs/dbraw/zinc/45/83/08/731458308.db2.gz SEQWPZASHKALIJ-UYAOXDASSA-N 1 3 359.539 2.606 20 0 FFADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1OCCc2sccc21 ZINC000655770739 731507290 /nfs/dbraw/zinc/50/72/90/731507290.db2.gz OKKFTOOZNBVEOF-URLQWDBASA-N 1 3 350.528 2.983 20 0 FFADHO CN(C)[C@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)c1ccccc1 ZINC000870915374 731574097 /nfs/dbraw/zinc/57/40/97/731574097.db2.gz ILDZKARWKQOMOV-QGZVFWFLSA-N 1 3 358.511 2.643 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc(Cl)n1 ZINC000870991322 731583766 /nfs/dbraw/zinc/58/37/66/731583766.db2.gz DPYNNTOCJYQRSW-KBXCAEBGSA-N 1 3 352.910 2.657 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000925783824 738529836 /nfs/dbraw/zinc/52/98/36/738529836.db2.gz OXZLUFWARUUJDI-JSGCOSHPSA-N 1 3 352.429 2.866 20 0 FFADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)s1 ZINC000925854031 738537368 /nfs/dbraw/zinc/53/73/68/738537368.db2.gz JXHHRBPHLJDKFN-GHMZBOCLSA-N 1 3 373.316 2.847 20 0 FFADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OC(F)F ZINC000925853411 738537449 /nfs/dbraw/zinc/53/74/49/738537449.db2.gz ISJPPPZKVAGAFI-QWHCGFSZSA-N 1 3 354.397 2.624 20 0 FFADHO COc1cc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1SC ZINC000925855346 738537854 /nfs/dbraw/zinc/53/78/54/738537854.db2.gz PCUNAUOURXTFMF-DZGCQCFKSA-N 1 3 364.511 2.753 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)c2cccs2)CC1 ZINC000659427443 731975111 /nfs/dbraw/zinc/97/51/11/731975111.db2.gz OQBGZLLHYVUYNF-WUJZJPHMSA-N 1 3 362.543 2.572 20 0 FFADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)[C@@H]1CCC[NH3+] ZINC000662311869 732295762 /nfs/dbraw/zinc/29/57/62/732295762.db2.gz DEACFIBMHIYQSG-TZMCWYRMSA-N 1 3 369.307 2.622 20 0 FFADHO Cc1cccc(Cl)c1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000878317763 732513528 /nfs/dbraw/zinc/51/35/28/732513528.db2.gz VFJJRMWFHRACKP-INIZCTEOSA-N 1 3 366.937 2.545 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)cc1 ZINC000664315122 732566517 /nfs/dbraw/zinc/56/65/17/732566517.db2.gz RLORBWFLJBSIKW-ZDUSSCGKSA-N 1 3 371.323 2.843 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)cc1 ZINC000664315122 732566521 /nfs/dbraw/zinc/56/65/21/732566521.db2.gz RLORBWFLJBSIKW-ZDUSSCGKSA-N 1 3 371.323 2.843 20 0 FFADHO COC[C@@H](C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)OC ZINC000781426733 738627175 /nfs/dbraw/zinc/62/71/75/738627175.db2.gz MHFPDRDYZYEIIC-QFBILLFUSA-N 1 3 350.503 2.993 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc2ccsc21 ZINC000665216596 732680956 /nfs/dbraw/zinc/68/09/56/732680956.db2.gz IQDYXFQDDNZSPN-HNNXBMFYSA-N 1 3 362.543 2.973 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc2ccsc21 ZINC000665216596 732680959 /nfs/dbraw/zinc/68/09/59/732680959.db2.gz IQDYXFQDDNZSPN-HNNXBMFYSA-N 1 3 362.543 2.973 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(Cc1cccs1)C1CC1 ZINC000665638088 732734787 /nfs/dbraw/zinc/73/47/87/732734787.db2.gz YJLMLJYZBUZIHV-HNNXBMFYSA-N 1 3 352.548 2.694 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(Cc1cccs1)C1CC1 ZINC000665638088 732734790 /nfs/dbraw/zinc/73/47/90/732734790.db2.gz YJLMLJYZBUZIHV-HNNXBMFYSA-N 1 3 352.548 2.694 20 0 FFADHO COCC1(CNCc2csc(-c3ccc(OC)cc3)n2)CC[NH2+]CC1 ZINC000666894007 732913020 /nfs/dbraw/zinc/91/30/20/732913020.db2.gz WUQIXSJGJBNXHC-UHFFFAOYSA-N 1 3 361.511 2.925 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)c2cccs2)CC1 ZINC000668644753 733149217 /nfs/dbraw/zinc/14/92/17/733149217.db2.gz UYNFXEGWKPSJAW-APWZRJJASA-N 1 3 364.559 2.901 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000672942636 733572590 /nfs/dbraw/zinc/57/25/90/733572590.db2.gz JWSLJMBMNGTWLT-GVDBMIGSSA-N 1 3 350.507 2.882 20 0 FFADHO c1ncc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886570379 733804559 /nfs/dbraw/zinc/80/45/59/733804559.db2.gz IWECMUHEIBYEQF-QGFMHUBQSA-N 1 3 361.580 2.671 20 0 FFADHO c1ncc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886570379 733804561 /nfs/dbraw/zinc/80/45/61/733804561.db2.gz IWECMUHEIBYEQF-QGFMHUBQSA-N 1 3 361.580 2.671 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892482550 734564463 /nfs/dbraw/zinc/56/44/63/734564463.db2.gz YNOZCLPHFBXIPK-INIZCTEOSA-N 1 3 352.548 2.600 20 0 FFADHO CCOC(=O)N1CC[C@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374235 735938899 /nfs/dbraw/zinc/93/88/99/735938899.db2.gz KPHJJDPSPVJOIT-WMLDXEAASA-N 1 3 355.429 2.955 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@](C)(O)c2cccc(F)c2)[C@H](C)C1 ZINC000903312574 736074111 /nfs/dbraw/zinc/07/41/11/736074111.db2.gz ZXINTGGBIZVDRA-LSTHTHJFSA-N 1 3 352.494 2.760 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@](C)(O)c2cccc(F)c2)[C@H](C)C1 ZINC000903312574 736074114 /nfs/dbraw/zinc/07/41/14/736074114.db2.gz ZXINTGGBIZVDRA-LSTHTHJFSA-N 1 3 352.494 2.760 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)C1 ZINC000903761361 736163669 /nfs/dbraw/zinc/16/36/69/736163669.db2.gz QUGUMKHKGSACSE-FXUDXRNXSA-N 1 3 350.425 2.705 20 0 FFADHO C[C@H](NC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ncc1F ZINC000762733971 736862699 /nfs/dbraw/zinc/86/26/99/736862699.db2.gz KUWYCMJSGJBLMQ-LBPRGKRZSA-N 1 3 373.314 2.660 20 0 FFADHO COc1ccc(OC)c([C@@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000767001175 737283706 /nfs/dbraw/zinc/28/37/06/737283706.db2.gz KEINMPCDXGUWNQ-IBGZPJMESA-N 1 3 350.503 2.791 20 0 FFADHO C[C@](O)(C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930060157 739053761 /nfs/dbraw/zinc/05/37/61/739053761.db2.gz GCXXUCPIRWVRCX-XBFCOCLRSA-N 1 3 356.379 2.884 20 0 FFADHO C[C@](O)(C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930060157 739053766 /nfs/dbraw/zinc/05/37/66/739053766.db2.gz GCXXUCPIRWVRCX-XBFCOCLRSA-N 1 3 356.379 2.884 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3CCC4(COC4)O3)C2)s1 ZINC000930374511 739096825 /nfs/dbraw/zinc/09/68/25/739096825.db2.gz UURANXWRSKHALR-SJORKVTESA-N 1 3 350.528 2.758 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3CCC4(COC4)O3)C2)s1 ZINC000930374511 739096827 /nfs/dbraw/zinc/09/68/27/739096827.db2.gz UURANXWRSKHALR-SJORKVTESA-N 1 3 350.528 2.758 20 0 FFADHO C[C@H](C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)CN1CCN(C)CC1 ZINC000796284200 740125537 /nfs/dbraw/zinc/12/55/37/740125537.db2.gz KPSHDLIXTJTRLT-CYBMUJFWSA-N 1 3 370.328 2.614 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC000969705800 740738522 /nfs/dbraw/zinc/73/85/22/740738522.db2.gz DUYNFHFPGLWWSY-ZYSHUDEJSA-N 1 3 363.571 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC000969705800 740738523 /nfs/dbraw/zinc/73/85/23/740738523.db2.gz DUYNFHFPGLWWSY-ZYSHUDEJSA-N 1 3 363.571 2.848 20 0 FFADHO O[C@@H](CN1CC[C@H](Cc2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000814677286 741856790 /nfs/dbraw/zinc/85/67/90/741856790.db2.gz UGWZSWSPZCWPDS-SJLPKXTDSA-N 1 3 367.331 2.770 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC000999188631 742053961 /nfs/dbraw/zinc/05/39/61/742053961.db2.gz BYCZLQOWUDPPOA-MGPQQGTHSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3sccc3Cl)C2)CC[N@H+]1C ZINC000999188631 742053967 /nfs/dbraw/zinc/05/39/67/742053967.db2.gz BYCZLQOWUDPPOA-MGPQQGTHSA-N 1 3 355.935 2.822 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001007370657 742328755 /nfs/dbraw/zinc/32/87/55/742328755.db2.gz ZHWVWHOALDTDEJ-CEXWTWQISA-N 1 3 363.571 2.992 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001007370657 742328762 /nfs/dbraw/zinc/32/87/62/742328762.db2.gz ZHWVWHOALDTDEJ-CEXWTWQISA-N 1 3 363.571 2.992 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC001018870195 742515565 /nfs/dbraw/zinc/51/55/65/742515565.db2.gz HSLYWKFLAIGFME-RLFYNMQTSA-N 1 3 367.896 2.900 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC001018870195 742515570 /nfs/dbraw/zinc/51/55/70/742515570.db2.gz HSLYWKFLAIGFME-RLFYNMQTSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001029742759 742814621 /nfs/dbraw/zinc/81/46/21/742814621.db2.gz YOCRGOGJUIOQPH-SOLBZPMBSA-N 1 3 363.933 2.961 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001029742759 742814627 /nfs/dbraw/zinc/81/46/27/742814627.db2.gz YOCRGOGJUIOQPH-SOLBZPMBSA-N 1 3 363.933 2.961 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000827814434 744983281 /nfs/dbraw/zinc/98/32/81/744983281.db2.gz DOJMKDRZJIXERE-INIZCTEOSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@H]([NH3+])CC(=O)NC[C@H](c2ccccc2)N(C)C)cc(Cl)n1 ZINC000831769817 745581844 /nfs/dbraw/zinc/58/18/44/745581844.db2.gz YFTSZYMZEOGOTL-IAGOWNOFSA-N 1 3 360.889 2.852 20 0 FFADHO CCCCCCO[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000839611778 746871108 /nfs/dbraw/zinc/87/11/08/746871108.db2.gz YKVZHJHORRIVGW-QGZVFWFLSA-N 1 3 353.551 2.647 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000849105786 749051972 /nfs/dbraw/zinc/05/19/72/749051972.db2.gz AVRHJPQGJKVZML-CFVMTHIKSA-N 1 3 352.429 2.742 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000852108774 749775743 /nfs/dbraw/zinc/77/57/43/749775743.db2.gz MMENIHSYEPGMOB-SJORKVTESA-N 1 3 353.304 2.900 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000852108774 749775744 /nfs/dbraw/zinc/77/57/44/749775744.db2.gz MMENIHSYEPGMOB-SJORKVTESA-N 1 3 353.304 2.900 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000852108773 749775806 /nfs/dbraw/zinc/77/58/06/749775806.db2.gz MMENIHSYEPGMOB-IRXDYDNUSA-N 1 3 353.304 2.900 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000852108773 749775808 /nfs/dbraw/zinc/77/58/08/749775808.db2.gz MMENIHSYEPGMOB-IRXDYDNUSA-N 1 3 353.304 2.900 20 0 FFADHO O[C@H](CN(Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccsc1 ZINC000852746781 749942663 /nfs/dbraw/zinc/94/26/63/749942663.db2.gz SWLLRRAFHDEBHU-RBUKOAKNSA-N 1 3 358.507 2.805 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000853668649 750131258 /nfs/dbraw/zinc/13/12/58/750131258.db2.gz VAWGLGQIWWRVRH-HNNXBMFYSA-N 1 3 352.498 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000853668649 750131261 /nfs/dbraw/zinc/13/12/61/750131261.db2.gz VAWGLGQIWWRVRH-HNNXBMFYSA-N 1 3 352.498 2.632 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000895600499 970770962 /nfs/dbraw/zinc/77/09/62/970770962.db2.gz RMUMOGZOVKHHST-HXUWFJFHSA-N 1 3 361.530 2.971 20 0 FFADHO CCN(CC)C(=O)c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655686307 971026657 /nfs/dbraw/zinc/02/66/57/971026657.db2.gz COMBRLVIGDCVIO-HXUWFJFHSA-N 1 3 359.514 2.512 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2nc(C)cs2)C1 ZINC001104932716 971177061 /nfs/dbraw/zinc/17/70/61/971177061.db2.gz JAPHZFRMJFUIFB-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2nc(C)cs2)C1 ZINC001104932716 971177067 /nfs/dbraw/zinc/17/70/67/971177067.db2.gz JAPHZFRMJFUIFB-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000660229176 971511756 /nfs/dbraw/zinc/51/17/56/971511756.db2.gz JJBVDARPYQYYSP-LJQANCHMSA-N 1 3 358.530 2.954 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000896519991 971533754 /nfs/dbraw/zinc/53/37/54/971533754.db2.gz BRUOKQMYXGKFRS-YLJYHZDGSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCC(NCc3c(F)cccc3F)CC2)CC[N@@H+]1C ZINC001026496063 971608280 /nfs/dbraw/zinc/60/82/80/971608280.db2.gz IMLPHFOXQDDGLT-PRLABOORSA-N 1 3 365.468 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCC(NCc3c(F)cccc3F)CC2)CC[N@H+]1C ZINC001026496063 971608283 /nfs/dbraw/zinc/60/82/83/971608283.db2.gz IMLPHFOXQDDGLT-PRLABOORSA-N 1 3 365.468 2.822 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)C1CC1 ZINC001087993445 971738985 /nfs/dbraw/zinc/73/89/85/971738985.db2.gz OVIZPJAHQMACST-AABGKKOBSA-N 1 3 359.558 2.687 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)C1CC1 ZINC001087993445 971738989 /nfs/dbraw/zinc/73/89/89/971738989.db2.gz OVIZPJAHQMACST-AABGKKOBSA-N 1 3 359.558 2.687 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)C1CCC1 ZINC001087994617 971743816 /nfs/dbraw/zinc/74/38/16/971743816.db2.gz STNNFZAAMIRDEP-AZNZRYBASA-N 1 3 367.537 2.964 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)C1CCC1 ZINC001087994617 971743817 /nfs/dbraw/zinc/74/38/17/971743817.db2.gz STNNFZAAMIRDEP-AZNZRYBASA-N 1 3 367.537 2.964 20 0 FFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+]2CCC(C)(C)c2ccccc2)C1=O ZINC001275893449 1013150948 /nfs/dbraw/zinc/15/09/48/1013150948.db2.gz GVWBZKORDBJPDR-QFIPXVFZSA-N 1 3 357.542 2.983 20 0 FFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+]2CCC(C)(C)c2ccccc2)C1=O ZINC001275893449 1013150957 /nfs/dbraw/zinc/15/09/57/1013150957.db2.gz GVWBZKORDBJPDR-QFIPXVFZSA-N 1 3 357.542 2.983 20 0 FFADHO CC[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000652127417 972249040 /nfs/dbraw/zinc/24/90/40/972249040.db2.gz RLIDCQUASNVXER-FQEVSTJZSA-N 1 3 358.530 2.512 20 0 FFADHO C[C@@H]1CC(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000660573997 972255179 /nfs/dbraw/zinc/25/51/79/972255179.db2.gz NFNRCENNZIHXKZ-IRXDYDNUSA-N 1 3 364.578 2.917 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000654735857 958876981 /nfs/dbraw/zinc/87/69/81/958876981.db2.gz VHURBINVGOLEFR-HSALFYBXSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000654735857 958877004 /nfs/dbraw/zinc/87/70/04/958877004.db2.gz VHURBINVGOLEFR-HSALFYBXSA-N 1 3 374.529 2.614 20 0 FFADHO OC1(C[NH2+][C@H]2COc3ccccc3C2)CCN(Cc2ccccc2)CC1 ZINC000397492573 960711916 /nfs/dbraw/zinc/71/19/16/960711916.db2.gz LUKPHCWAYSIWLR-HXUWFJFHSA-N 1 3 352.478 2.607 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](c3ccncc3)C3CC3)CC2)CC1 ZINC000890910563 961005028 /nfs/dbraw/zinc/00/50/28/961005028.db2.gz XOIGRPBOJZUCLQ-NRFANRHFSA-N 1 3 370.541 2.845 20 0 FFADHO COc1cccc([C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N(C)C)c1 ZINC000655679703 961055426 /nfs/dbraw/zinc/05/54/26/961055426.db2.gz FHAHAOOPDMLOHG-SFTDATJTSA-N 1 3 361.530 2.531 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H]2CCCn3ccnc32)CC1 ZINC000655692785 961088639 /nfs/dbraw/zinc/08/86/39/961088639.db2.gz UMWMWLAIMIIXJX-HXUWFJFHSA-N 1 3 353.514 2.645 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1CCN(Cc2cccnc2)C1=O ZINC000872744715 1013254507 /nfs/dbraw/zinc/25/45/07/1013254507.db2.gz XSOORNMYXZFKME-UHFFFAOYSA-N 1 3 373.545 2.577 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c[nH]c2ccc(Cl)cc12 ZINC001276004938 1013274453 /nfs/dbraw/zinc/27/44/53/1013274453.db2.gz GHJTZTWUZDEHKS-RTBURBONSA-N 1 3 374.916 2.948 20 0 FFADHO Cc1ncsc1C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287725 961821348 /nfs/dbraw/zinc/82/13/48/961821348.db2.gz KCRSNAPEMWGTML-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2COC3(CCCC3)O2)CC1 ZINC000773415790 1013325128 /nfs/dbraw/zinc/32/51/28/1013325128.db2.gz NMTCSHXZAXOYTK-FQEVSTJZSA-N 1 3 373.541 2.994 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1CCNC/C(Cl)=C\Cl ZINC001104291775 962342584 /nfs/dbraw/zinc/34/25/84/962342584.db2.gz VCHQLHAHGBWPOI-YVWGOMAESA-N 1 3 362.345 2.720 20 0 FFADHO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873218354 1013430494 /nfs/dbraw/zinc/43/04/94/1013430494.db2.gz DNEKPRIXPGIZGF-INIZCTEOSA-N 1 3 365.481 2.846 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@H](C)C1CC[NH2+]CC1 ZINC000873219866 1013432885 /nfs/dbraw/zinc/43/28/85/1013432885.db2.gz AMBOZGLHTCEGSK-OAHLLOKOSA-N 1 3 356.470 2.527 20 0 FFADHO Cc1ccc([C@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2)cc1 ZINC000665760243 963662931 /nfs/dbraw/zinc/66/29/31/963662931.db2.gz DAJGIODJEJKGJN-ICSRJNTNSA-N 1 3 360.546 2.766 20 0 FFADHO Cc1ccc([C@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2)cc1 ZINC000665760243 963662935 /nfs/dbraw/zinc/66/29/35/963662935.db2.gz DAJGIODJEJKGJN-ICSRJNTNSA-N 1 3 360.546 2.766 20 0 FFADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(N2CCNC2=O)cc1 ZINC000873235057 1013438134 /nfs/dbraw/zinc/43/81/34/1013438134.db2.gz IICWIYNBSRQRIQ-HNNXBMFYSA-N 1 3 350.466 2.713 20 0 FFADHO CC[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc2c(c1)CCO2 ZINC000873247484 1013446868 /nfs/dbraw/zinc/44/68/68/1013446868.db2.gz NXAAEYDCUYMRTO-HXUWFJFHSA-N 1 3 363.465 2.902 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H](NCc2nccs2)C(C)C)CC[N@@H+]1C ZINC001276122220 1013484236 /nfs/dbraw/zinc/48/42/36/1013484236.db2.gz AVAPFJVVDDSKAT-YESZJQIVSA-N 1 3 366.575 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H](NCc2nccs2)C(C)C)CC[N@H+]1C ZINC001276122220 1013484245 /nfs/dbraw/zinc/48/42/45/1013484245.db2.gz AVAPFJVVDDSKAT-YESZJQIVSA-N 1 3 366.575 2.836 20 0 FFADHO C[NH+](C)CCn1cc(NC(=O)c2cccc(CN3CCCCC3)c2)cn1 ZINC000664548697 964650776 /nfs/dbraw/zinc/65/07/76/964650776.db2.gz ZCMGNRCHPRJOJP-UHFFFAOYSA-N 1 3 355.486 2.683 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000664608895 964764603 /nfs/dbraw/zinc/76/46/03/964764603.db2.gz QCSYDKHHYGTZLO-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000664608895 964764612 /nfs/dbraw/zinc/76/46/12/964764612.db2.gz QCSYDKHHYGTZLO-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087469357 965295168 /nfs/dbraw/zinc/29/51/68/965295168.db2.gz YJKNMQZGNHPXAS-RTBURBONSA-N 1 3 359.489 2.606 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000648169689 966077033 /nfs/dbraw/zinc/07/70/33/966077033.db2.gz LDKZOBGJFNZBIR-PWRODBHTSA-N 1 3 371.525 2.584 20 0 FFADHO O=C1Nc2ccccc2[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988659 966100072 /nfs/dbraw/zinc/10/00/72/966100072.db2.gz LUZDGVKDXOAWQX-QOPFVKLFSA-N 1 3 351.494 2.988 20 0 FFADHO O=C1Nc2ccccc2[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988659 966100080 /nfs/dbraw/zinc/10/00/80/966100080.db2.gz LUZDGVKDXOAWQX-QOPFVKLFSA-N 1 3 351.494 2.988 20 0 FFADHO O=C1Nc2ccccc2[C@@]12CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988659 966100088 /nfs/dbraw/zinc/10/00/88/966100088.db2.gz LUZDGVKDXOAWQX-QOPFVKLFSA-N 1 3 351.494 2.988 20 0 FFADHO O=C1Nc2ccccc2[C@@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988659 966100095 /nfs/dbraw/zinc/10/00/95/966100095.db2.gz LUZDGVKDXOAWQX-QOPFVKLFSA-N 1 3 351.494 2.988 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657598071 966947710 /nfs/dbraw/zinc/94/77/10/966947710.db2.gz XUQGRWOQBMJXOE-HXUWFJFHSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657598071 966947721 /nfs/dbraw/zinc/94/77/21/966947721.db2.gz XUQGRWOQBMJXOE-HXUWFJFHSA-N 1 3 353.466 2.501 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000651992690 967001771 /nfs/dbraw/zinc/00/17/71/967001771.db2.gz YDSKEPTXEWKEFE-UGESXGAOSA-N 1 3 367.537 2.888 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978085 967190576 /nfs/dbraw/zinc/19/05/76/967190576.db2.gz MKXVQCXEKKMVSU-WOJBJXKFSA-N 1 3 373.541 2.802 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC001075784791 967313384 /nfs/dbraw/zinc/31/33/84/967313384.db2.gz HVCLYLJPJBSDTR-PWRODBHTSA-N 1 3 355.526 2.635 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001075784791 967313394 /nfs/dbraw/zinc/31/33/94/967313394.db2.gz HVCLYLJPJBSDTR-PWRODBHTSA-N 1 3 355.526 2.635 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C(C)C)[C@@H]3C2)c1 ZINC001075785086 967322720 /nfs/dbraw/zinc/32/27/20/967322720.db2.gz QVVXMCQTSGTBSR-PWRODBHTSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C(C)C)[C@@H]3C2)c1 ZINC001075785086 967322727 /nfs/dbraw/zinc/32/27/27/967322727.db2.gz QVVXMCQTSGTBSR-PWRODBHTSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1cccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C(C)C)[C@@H]3C2)c1 ZINC001075785086 967322736 /nfs/dbraw/zinc/32/27/36/967322736.db2.gz QVVXMCQTSGTBSR-PWRODBHTSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1cccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C(C)C)[C@@H]3C2)c1 ZINC001075785086 967322748 /nfs/dbraw/zinc/32/27/48/967322748.db2.gz QVVXMCQTSGTBSR-PWRODBHTSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785166 967325711 /nfs/dbraw/zinc/32/57/11/967325711.db2.gz UIOOWHDKSZORGE-PCCBWWKXSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785166 967325718 /nfs/dbraw/zinc/32/57/18/967325718.db2.gz UIOOWHDKSZORGE-PCCBWWKXSA-N 1 3 355.526 2.901 20 0 FFADHO CCc1cccc(CN2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001075799359 967654655 /nfs/dbraw/zinc/65/46/55/967654655.db2.gz ALXKOHVHEVVOSE-FDFHNCONSA-N 1 3 367.537 2.624 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)CC[N@@H+]1C ZINC001211603964 967823719 /nfs/dbraw/zinc/82/37/19/967823719.db2.gz WWXIGYGNNQLHCQ-RZNNYDJGSA-N 1 3 361.917 2.663 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)CC[N@H+]1C ZINC001211603964 967823727 /nfs/dbraw/zinc/82/37/27/967823727.db2.gz WWXIGYGNNQLHCQ-RZNNYDJGSA-N 1 3 361.917 2.663 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000657870002 968128904 /nfs/dbraw/zinc/12/89/04/968128904.db2.gz BPIZCIVBPRXEPD-CRAIPNDOSA-N 1 3 357.477 2.960 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4csc(C)c4)C[C@H]32)CC[N@@H+]1C ZINC001075813675 968181464 /nfs/dbraw/zinc/18/14/64/968181464.db2.gz SZMCQZXPAACXAU-INDMIFKZSA-N 1 3 361.555 2.820 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4csc(C)c4)C[C@H]32)CC[N@H+]1C ZINC001075813675 968181470 /nfs/dbraw/zinc/18/14/70/968181470.db2.gz SZMCQZXPAACXAU-INDMIFKZSA-N 1 3 361.555 2.820 20 0 FFADHO C[C@H](NCc1ccc(CC(N)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000685656420 968374297 /nfs/dbraw/zinc/37/42/97/968374297.db2.gz SKUAOLHXPHLXIG-INIZCTEOSA-N 1 3 355.482 2.506 20 0 FFADHO c1cc(-c2noc([C@H]3CN4CCC[C@H]4CO3)n2)ccc1C[NH+]1CCCC1 ZINC000923781937 969326151 /nfs/dbraw/zinc/32/61/51/969326151.db2.gz FCSSMAXJLMVOGT-ZWKOTPCHSA-N 1 3 354.454 2.868 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccnc(OC)c2F)CC1 ZINC000892596218 969550621 /nfs/dbraw/zinc/55/06/21/969550621.db2.gz FOQQYMUFTFQGTG-UHFFFAOYSA-N 1 3 372.488 2.657 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892602448 969567961 /nfs/dbraw/zinc/56/79/61/969567961.db2.gz IATDINGXERQTFI-WKCHPHFGSA-N 1 3 372.557 2.723 20 0 FFADHO CCC(CC)(CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000659453955 969944532 /nfs/dbraw/zinc/94/45/32/969944532.db2.gz BCZHFGYHPGDLKO-CGTJXYLNSA-N 1 3 364.509 2.977 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659487311 969977847 /nfs/dbraw/zinc/97/78/47/969977847.db2.gz XKMOFVDHNGFMFC-UFYCRDLUSA-N 1 3 374.504 2.587 20 0 FFADHO Cc1ncsc1C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676335 970085294 /nfs/dbraw/zinc/08/52/94/970085294.db2.gz FUMQSKSACBWCHB-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1nocc1C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682471 970098491 /nfs/dbraw/zinc/09/84/91/970098491.db2.gz SDKDVNLQXOCRIM-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(OC)c2)C1)N(C)C ZINC001104691554 970111975 /nfs/dbraw/zinc/11/19/75/970111975.db2.gz PDZOVVOACSTXDL-POAQFYNOSA-N 1 3 361.530 2.610 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCCc1ccccc1 ZINC001104732122 970192996 /nfs/dbraw/zinc/19/29/96/970192996.db2.gz OXPZBBHYODONNQ-IEBWSBKVSA-N 1 3 354.498 2.659 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892875126 970343484 /nfs/dbraw/zinc/34/34/84/970343484.db2.gz CRKXYJFCTTWIDI-OALUTQOASA-N 1 3 366.477 2.740 20 0 FFADHO CCC[NH+]1CCC(CNCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC000892938415 970389564 /nfs/dbraw/zinc/38/95/64/970389564.db2.gz DXENRSMQOODVEQ-UHFFFAOYSA-N 1 3 365.522 2.979 20 0 FFADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665366814 970397050 /nfs/dbraw/zinc/39/70/50/970397050.db2.gz IYZHBJUWEQFUHQ-QGZVFWFLSA-N 1 3 362.518 2.758 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCc1ccccc1Cl ZINC001087828890 970454531 /nfs/dbraw/zinc/45/45/31/970454531.db2.gz YKKGXQMCUBUIHV-YTQUADARSA-N 1 3 363.933 2.803 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCc1ccccc1Cl ZINC001087828890 970454536 /nfs/dbraw/zinc/45/45/36/970454536.db2.gz YKKGXQMCUBUIHV-YTQUADARSA-N 1 3 363.933 2.803 20 0 FFADHO COc1ccc2nccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000893047592 970536910 /nfs/dbraw/zinc/53/69/10/970536910.db2.gz MWIBICDXWSQMPP-OXQOHEQNSA-N 1 3 354.498 2.706 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C/C=C/c4ccccc4)CC[C@@H]3C2)C1 ZINC001088106424 972811214 /nfs/dbraw/zinc/81/12/14/972811214.db2.gz ZGHHWHMLXFYUAQ-QZIULLMPSA-N 1 3 367.537 2.822 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C/C=C/c4ccccc4)CC[C@@H]3C2)C1 ZINC001088106424 972811233 /nfs/dbraw/zinc/81/12/33/972811233.db2.gz ZGHHWHMLXFYUAQ-QZIULLMPSA-N 1 3 367.537 2.822 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001112524529 972812556 /nfs/dbraw/zinc/81/25/56/972812556.db2.gz SYKKKNUAXLSZIN-UXLLHSPISA-N 1 3 363.468 2.743 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC000660912909 973125377 /nfs/dbraw/zinc/12/53/77/973125377.db2.gz DLDAUQMCTXJFNM-PABCKOPISA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC000660912909 973125386 /nfs/dbraw/zinc/12/53/86/973125386.db2.gz DLDAUQMCTXJFNM-PABCKOPISA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661027754 973379680 /nfs/dbraw/zinc/37/96/80/973379680.db2.gz FVLWTVDOYBSNJZ-BHIYHBOVSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661027754 973379693 /nfs/dbraw/zinc/37/96/93/973379693.db2.gz FVLWTVDOYBSNJZ-BHIYHBOVSA-N 1 3 358.530 2.679 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](CCC4CC4)CC[C@@H]3C2)c1 ZINC001088210505 973663223 /nfs/dbraw/zinc/66/32/23/973663223.db2.gz NVFZOZATMYOPTB-RTWAWAEBSA-N 1 3 355.526 2.942 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](CCC4CC4)CC[C@@H]3C2)c1 ZINC001088210505 973663230 /nfs/dbraw/zinc/66/32/30/973663230.db2.gz NVFZOZATMYOPTB-RTWAWAEBSA-N 1 3 355.526 2.942 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1)[NH+]1CCCC1 ZINC001088212706 973681337 /nfs/dbraw/zinc/68/13/37/973681337.db2.gz IZWLDEPWRGRAAH-JMQNQSEPSA-N 1 3 353.938 2.640 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000665759950 974093240 /nfs/dbraw/zinc/09/32/40/974093240.db2.gz UVMJUFARXUSQSH-GHTZIAJQSA-N 1 3 360.546 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000665759950 974093250 /nfs/dbraw/zinc/09/32/50/974093250.db2.gz UVMJUFARXUSQSH-GHTZIAJQSA-N 1 3 360.546 2.632 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000665765020 974103508 /nfs/dbraw/zinc/10/35/08/974103508.db2.gz XNSXGGDMUMBYPG-PKOBYXMFSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000665765020 974103511 /nfs/dbraw/zinc/10/35/11/974103511.db2.gz XNSXGGDMUMBYPG-PKOBYXMFSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC001029742221 974185197 /nfs/dbraw/zinc/18/51/97/974185197.db2.gz NVMGWBGFMFLZKA-SPYBWZPUSA-N 1 3 365.468 2.585 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC001029742221 974185198 /nfs/dbraw/zinc/18/51/98/974185198.db2.gz NVMGWBGFMFLZKA-SPYBWZPUSA-N 1 3 365.468 2.585 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000661402293 974235317 /nfs/dbraw/zinc/23/53/17/974235317.db2.gz DVEQSMNWXZDDIL-HSALFYBXSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000661402293 974235323 /nfs/dbraw/zinc/23/53/23/974235323.db2.gz DVEQSMNWXZDDIL-HSALFYBXSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675388 974952468 /nfs/dbraw/zinc/95/24/68/974952468.db2.gz QCHOCLWIXUVHEK-HLAWJBBLSA-N 1 3 355.526 2.879 20 0 FFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652347247 974953939 /nfs/dbraw/zinc/95/39/39/974953939.db2.gz WVACUACZEAUEER-LRGNLBRXSA-N 1 3 373.541 2.645 20 0 FFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652347245 974953997 /nfs/dbraw/zinc/95/39/97/974953997.db2.gz WVACUACZEAUEER-DVWBAYGPSA-N 1 3 373.541 2.645 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000125886817 1014237891 /nfs/dbraw/zinc/23/78/91/1014237891.db2.gz JEYBIOUCPZJROP-BVSLBCMMSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000125886817 1014237897 /nfs/dbraw/zinc/23/78/97/1014237897.db2.gz JEYBIOUCPZJROP-BVSLBCMMSA-N 1 3 359.558 2.986 20 0 FFADHO CN(C)Cc1ccc(-c2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)cc1 ZINC000663251933 975334531 /nfs/dbraw/zinc/33/45/31/975334531.db2.gz YZDXPOCFRKLTFZ-UHFFFAOYSA-N 1 3 353.426 2.920 20 0 FFADHO CCOCc1ccc(CNC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662296453 975413888 /nfs/dbraw/zinc/41/38/88/975413888.db2.gz KMXZHIFZUHIWAD-NRFANRHFSA-N 1 3 373.541 2.551 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)N(C)C)cc1 ZINC000662348420 975454432 /nfs/dbraw/zinc/45/44/32/975454432.db2.gz VGCIUHRUQOKDCX-LJQANCHMSA-N 1 3 370.497 2.737 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cccc2c1CNC2 ZINC000662569897 975710433 /nfs/dbraw/zinc/71/04/33/975710433.db2.gz WLWBKWZPXHKCTI-AEFFLSMTSA-N 1 3 353.441 2.552 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cc2c(s1)CCNC2 ZINC000662570130 975710864 /nfs/dbraw/zinc/71/08/64/975710864.db2.gz ZYHZNZGRJLFJFN-WBVHZDCISA-N 1 3 373.497 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001027892779 975731539 /nfs/dbraw/zinc/73/15/39/975731539.db2.gz CMKOSGPYHNEPCU-ATZDWAIDSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001027892779 975731547 /nfs/dbraw/zinc/73/15/47/975731547.db2.gz CMKOSGPYHNEPCU-ATZDWAIDSA-N 1 3 354.498 2.589 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662661757 975798369 /nfs/dbraw/zinc/79/83/69/975798369.db2.gz VMPXOZPJSNXREM-IFMALSPDSA-N 1 3 363.505 2.996 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662661757 975798382 /nfs/dbraw/zinc/79/83/82/975798382.db2.gz VMPXOZPJSNXREM-IFMALSPDSA-N 1 3 363.505 2.996 20 0 FFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CCN([C@H]4CCOC4)CC3)ccc21 ZINC000667196102 975929704 /nfs/dbraw/zinc/92/97/04/975929704.db2.gz OSUOEFQTICJTMY-ICSRJNTNSA-N 1 3 372.513 2.610 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C)cc1 ZINC001088770425 976073813 /nfs/dbraw/zinc/07/38/13/976073813.db2.gz OCCFEDINUSGKOB-QMMLZNLJSA-N 1 3 355.526 2.948 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681379 976716609 /nfs/dbraw/zinc/71/66/09/976716609.db2.gz HQEJZEBCHHJBTE-LEWJYISDSA-N 1 3 362.514 2.787 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667802927 977073082 /nfs/dbraw/zinc/07/30/82/977073082.db2.gz BDEVLSVBKKFARF-LSDHHAIUSA-N 1 3 357.502 2.502 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000667802927 977073092 /nfs/dbraw/zinc/07/30/92/977073092.db2.gz BDEVLSVBKKFARF-LSDHHAIUSA-N 1 3 357.502 2.502 20 0 FFADHO COc1cccc(OCC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000152216261 977790230 /nfs/dbraw/zinc/79/02/30/977790230.db2.gz AJLIRWUCELKEIS-ROUUACIJSA-N 1 3 362.514 2.895 20 0 FFADHO Cc1c(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)oc2ccccc12 ZINC000664134308 978056824 /nfs/dbraw/zinc/05/68/24/978056824.db2.gz XDQDRWIUWQPZGE-HNNXBMFYSA-N 1 3 360.502 2.812 20 0 FFADHO Cc1c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)oc2ccccc12 ZINC000664134308 978056829 /nfs/dbraw/zinc/05/68/29/978056829.db2.gz XDQDRWIUWQPZGE-HNNXBMFYSA-N 1 3 360.502 2.812 20 0 FFADHO CC[C@@H](NCC1(C[NH2+][C@@H](CC)[C@@H]2CCCCO2)COC1)[C@H]1CCCCO1 ZINC000653874389 1014472261 /nfs/dbraw/zinc/47/22/61/1014472261.db2.gz GEPXDSATSJDACQ-FGYAAKKASA-N 1 3 368.562 2.878 20 0 FFADHO CC[C@@H]([NH2+]CC1(CN[C@@H](CC)[C@@H]2CCCCO2)COC1)[C@H]1CCCCO1 ZINC000653874389 1014472268 /nfs/dbraw/zinc/47/22/68/1014472268.db2.gz GEPXDSATSJDACQ-FGYAAKKASA-N 1 3 368.562 2.878 20 0 FFADHO c1ccc([C@@H]2C[C@@H](NC[C@H]3COC4(CCOCC4)O3)CC[N@@H+]2C2CC2)cc1 ZINC000877143084 1014486746 /nfs/dbraw/zinc/48/67/46/1014486746.db2.gz ZWQARORQGAISBJ-JBACZVJFSA-N 1 3 372.509 2.866 20 0 FFADHO c1ccc([C@@H]2C[C@@H](NC[C@H]3COC4(CCOCC4)O3)CC[N@H+]2C2CC2)cc1 ZINC000877143084 1014486753 /nfs/dbraw/zinc/48/67/53/1014486753.db2.gz ZWQARORQGAISBJ-JBACZVJFSA-N 1 3 372.509 2.866 20 0 FFADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000877137631 1014487253 /nfs/dbraw/zinc/48/72/53/1014487253.db2.gz ZUOFOQMUORUMLT-LEWJYISDSA-N 1 3 364.493 2.652 20 0 FFADHO CN(C)c1ccc(F)cc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000877333985 1014551347 /nfs/dbraw/zinc/55/13/47/1014551347.db2.gz HGGQVUQLEYERPK-UHFFFAOYSA-N 1 3 362.537 2.741 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877343174 1014556156 /nfs/dbraw/zinc/55/61/56/1014556156.db2.gz JOYKBMYCJWLYEC-KRWDZBQOSA-N 1 3 363.461 2.939 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3cc(C)no3)CC2)CC[N@@H+]1C ZINC000963338484 1014591915 /nfs/dbraw/zinc/59/19/15/1014591915.db2.gz XBEZBYICDHVOQC-YVZJPGBNSA-N 1 3 362.518 2.573 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3cc(C)no3)CC2)CC[N@H+]1C ZINC000963338484 1014591926 /nfs/dbraw/zinc/59/19/26/1014591926.db2.gz XBEZBYICDHVOQC-YVZJPGBNSA-N 1 3 362.518 2.573 20 0 FFADHO CC(C)c1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001076567851 979666015 /nfs/dbraw/zinc/66/60/15/979666015.db2.gz KSVJOGVRTABOPC-PWRODBHTSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)c1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001076567851 979666021 /nfs/dbraw/zinc/66/60/21/979666021.db2.gz KSVJOGVRTABOPC-PWRODBHTSA-N 1 3 355.526 2.794 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC001076605629 979709261 /nfs/dbraw/zinc/70/92/61/979709261.db2.gz KKYMQQIDYPXXER-PZJWPPBQSA-N 1 3 371.525 2.604 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C)[C@H]1C ZINC001088494822 980068700 /nfs/dbraw/zinc/06/87/00/980068700.db2.gz PXLKQYQNLZAWLW-LSTHTHJFSA-N 1 3 358.530 2.687 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C)[C@H]1C ZINC001088494822 980068707 /nfs/dbraw/zinc/06/87/07/980068707.db2.gz PXLKQYQNLZAWLW-LSTHTHJFSA-N 1 3 358.530 2.687 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494822 980068715 /nfs/dbraw/zinc/06/87/15/980068715.db2.gz PXLKQYQNLZAWLW-LSTHTHJFSA-N 1 3 358.530 2.687 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494822 980068723 /nfs/dbraw/zinc/06/87/23/980068723.db2.gz PXLKQYQNLZAWLW-LSTHTHJFSA-N 1 3 358.530 2.687 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)C)C1 ZINC001112211936 980219354 /nfs/dbraw/zinc/21/93/54/980219354.db2.gz DLOIQOLWPJNVQK-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO O[C@H](C[C@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000905098506 980381544 /nfs/dbraw/zinc/38/15/44/980381544.db2.gz SZZVOAHAPKEXOG-AKIFATBCSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@H](C[C@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000905098506 980381551 /nfs/dbraw/zinc/38/15/51/980381551.db2.gz SZZVOAHAPKEXOG-AKIFATBCSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@H](C[C@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000905098506 980381557 /nfs/dbraw/zinc/38/15/57/980381557.db2.gz SZZVOAHAPKEXOG-AKIFATBCSA-N 1 3 368.521 2.625 20 0 FFADHO Cc1ccccc1-n1nccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666553244 980979654 /nfs/dbraw/zinc/97/96/54/980979654.db2.gz FWDYKWNDZOBNDG-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1ccccc1-n1nccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666553244 980979657 /nfs/dbraw/zinc/97/96/57/980979657.db2.gz FWDYKWNDZOBNDG-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000668562650 981105691 /nfs/dbraw/zinc/10/56/91/981105691.db2.gz KGKDEPXTMWBCSQ-SLFFLAALSA-N 1 3 358.530 2.711 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000907103837 981196487 /nfs/dbraw/zinc/19/64/87/981196487.db2.gz ZHQXJSZXLANZMQ-PKOBYXMFSA-N 1 3 358.530 2.845 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000907103837 981196488 /nfs/dbraw/zinc/19/64/88/981196488.db2.gz ZHQXJSZXLANZMQ-PKOBYXMFSA-N 1 3 358.530 2.845 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000907162435 981204042 /nfs/dbraw/zinc/20/40/42/981204042.db2.gz ZQPOUDYYKWRAAM-SFHVURJKSA-N 1 3 359.514 2.704 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000907162435 981204043 /nfs/dbraw/zinc/20/40/43/981204043.db2.gz ZQPOUDYYKWRAAM-SFHVURJKSA-N 1 3 359.514 2.704 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000907332346 981227568 /nfs/dbraw/zinc/22/75/68/981227568.db2.gz UQOVLFUBTDNTGR-PXNSSMCTSA-N 1 3 371.525 2.771 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000907332346 981227570 /nfs/dbraw/zinc/22/75/70/981227570.db2.gz UQOVLFUBTDNTGR-PXNSSMCTSA-N 1 3 371.525 2.771 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(NC3=NCCC3)cc2)CCCO1 ZINC000907758205 981286907 /nfs/dbraw/zinc/28/69/07/981286907.db2.gz ZCRJXVGSGXMVFC-MRXNPFEDSA-N 1 3 358.486 2.522 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(NC3=NCCC3)cc2)CCCO1 ZINC000907758205 981286910 /nfs/dbraw/zinc/28/69/10/981286910.db2.gz ZCRJXVGSGXMVFC-MRXNPFEDSA-N 1 3 358.486 2.522 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000650669798 1014725676 /nfs/dbraw/zinc/72/56/76/1014725676.db2.gz OTHPZQMPSQOFDW-SBHAEUEKSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000650669798 1014725680 /nfs/dbraw/zinc/72/56/80/1014725680.db2.gz OTHPZQMPSQOFDW-SBHAEUEKSA-N 1 3 356.514 2.577 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000650724805 1014751518 /nfs/dbraw/zinc/75/15/18/1014751518.db2.gz MYIYXUHUPMNFAQ-HKBOAZHASA-N 1 3 372.488 2.931 20 0 FFADHO COc1cc2c(c(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)c1)O[C@@H](C)C2 ZINC000650724103 1014751471 /nfs/dbraw/zinc/75/14/71/1014751471.db2.gz YHUBBRCVMURAMF-GVXRKXQCSA-N 1 3 360.498 2.879 20 0 FFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCCCN3[C@H]3CC[NH2+]C3)n2)cc1 ZINC001212101005 981653807 /nfs/dbraw/zinc/65/38/07/981653807.db2.gz HMEVMUKRQZPVFD-ZWKOTPCHSA-N 1 3 355.486 2.687 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H](C)c2cccc(OC)c2)CC[N@@H+]1C ZINC001483010036 981979544 /nfs/dbraw/zinc/97/95/44/981979544.db2.gz YQLDIZZXMSOAJC-VFFWOWASSA-N 1 3 359.514 2.749 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H](C)c2cccc(OC)c2)CC[N@H+]1C ZINC001483010036 981979549 /nfs/dbraw/zinc/97/95/49/981979549.db2.gz YQLDIZZXMSOAJC-VFFWOWASSA-N 1 3 359.514 2.749 20 0 FFADHO C[NH+]1CCC(NC(=O)CN(Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000878044250 1014831902 /nfs/dbraw/zinc/83/19/02/1014831902.db2.gz JSNPULDZCMUPPB-UHFFFAOYSA-N 1 3 371.525 2.577 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000897875569 982541354 /nfs/dbraw/zinc/54/13/54/982541354.db2.gz GMQVNIYYYIAXBO-FPOVZHCZSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000897875569 982541356 /nfs/dbraw/zinc/54/13/56/982541356.db2.gz GMQVNIYYYIAXBO-FPOVZHCZSA-N 1 3 359.514 2.679 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C ZINC001088692999 982795035 /nfs/dbraw/zinc/79/50/35/982795035.db2.gz HVXIPWKKNCTVJL-NEWSRXKRSA-N 1 3 363.571 2.990 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H]1C ZINC001088692999 982795039 /nfs/dbraw/zinc/79/50/39/982795039.db2.gz HVXIPWKKNCTVJL-NEWSRXKRSA-N 1 3 363.571 2.990 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654375293 984082338 /nfs/dbraw/zinc/08/23/38/984082338.db2.gz ZEXVVAUHAMTCGM-RTWAWAEBSA-N 1 3 370.541 2.751 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654375293 984082342 /nfs/dbraw/zinc/08/23/42/984082342.db2.gz ZEXVVAUHAMTCGM-RTWAWAEBSA-N 1 3 370.541 2.751 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000878383653 1015017319 /nfs/dbraw/zinc/01/73/19/1015017319.db2.gz AJMUOJPOQNQJIH-JBJBFBLISA-N 1 3 368.521 2.971 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)s1)CC2)N(C)C ZINC001107450371 984554667 /nfs/dbraw/zinc/55/46/67/984554667.db2.gz GLXHWNRYMUDZLO-ZHALLVOQSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnc(C)s1)CC2)N(C)C ZINC001107450371 984554669 /nfs/dbraw/zinc/55/46/69/984554669.db2.gz GLXHWNRYMUDZLO-ZHALLVOQSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000669427682 984572753 /nfs/dbraw/zinc/57/27/53/984572753.db2.gz ZFGKIIHVBCKPKC-HOJAQTOUSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)N2CCCC2)cc1 ZINC000669427473 984573354 /nfs/dbraw/zinc/57/33/54/984573354.db2.gz KFILXGKKFZIUFH-IHPCNDPISA-N 1 3 356.514 2.525 20 0 FFADHO CCCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000669483843 984651956 /nfs/dbraw/zinc/65/19/56/984651956.db2.gz PCICHFFSTXJBEP-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001107564358 984709614 /nfs/dbraw/zinc/70/96/14/984709614.db2.gz RXQFWUJEASSWJJ-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001107564358 984709618 /nfs/dbraw/zinc/70/96/18/984709618.db2.gz RXQFWUJEASSWJJ-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO COCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567362 984711631 /nfs/dbraw/zinc/71/16/31/984711631.db2.gz SSOFBBUMWRTWLH-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO COCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567362 984711638 /nfs/dbraw/zinc/71/16/38/984711638.db2.gz SSOFBBUMWRTWLH-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000764930517 984827128 /nfs/dbraw/zinc/82/71/28/984827128.db2.gz AUCYFZCCBJUQTF-ROUUACIJSA-N 1 3 355.530 2.857 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000669583528 984852061 /nfs/dbraw/zinc/85/20/61/984852061.db2.gz SDWIKFTXLNHOIW-ZLGUVYLKSA-N 1 3 366.509 2.864 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)cc2)CC1 ZINC000921555027 985316805 /nfs/dbraw/zinc/31/68/05/985316805.db2.gz CWPPMKJLFIOARX-FDFHNCONSA-N 1 3 357.542 2.729 20 0 FFADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000654725222 985346311 /nfs/dbraw/zinc/34/63/11/985346311.db2.gz DOGSHUVKNKUFFJ-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000654725222 985346324 /nfs/dbraw/zinc/34/63/24/985346324.db2.gz DOGSHUVKNKUFFJ-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C)N1CCCCCC1 ZINC001088897322 985375252 /nfs/dbraw/zinc/37/52/52/985375252.db2.gz DWFNVIIQSAKYGL-HBFSDRIKSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C)N1CCCCCC1 ZINC001088897322 985375264 /nfs/dbraw/zinc/37/52/64/985375264.db2.gz DWFNVIIQSAKYGL-HBFSDRIKSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000765783028 985832337 /nfs/dbraw/zinc/83/23/37/985832337.db2.gz JEYBIOUCPZJROP-ILWGZMRPSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000765783028 985832348 /nfs/dbraw/zinc/83/23/48/985832348.db2.gz JEYBIOUCPZJROP-ILWGZMRPSA-N 1 3 359.558 2.986 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4cc[nH]c4cn3)CC2)CC1 ZINC000655179199 986365802 /nfs/dbraw/zinc/36/58/02/986365802.db2.gz JKOHDAIVVDANKI-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO C[C@H](NCc1c2c(nn1C)CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921689041 986688727 /nfs/dbraw/zinc/68/87/27/986688727.db2.gz AYGQHEICDOGOSB-HNNXBMFYSA-N 1 3 371.504 2.651 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3cc4ccccc4o3)CC2)CC[N@@H+]1C ZINC001002852641 987543302 /nfs/dbraw/zinc/54/33/02/987543302.db2.gz SEEDJDQCKGHXKR-DNVCBOLYSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3cc4ccccc4o3)CC2)CC[N@H+]1C ZINC001002852641 987543304 /nfs/dbraw/zinc/54/33/04/987543304.db2.gz SEEDJDQCKGHXKR-DNVCBOLYSA-N 1 3 355.482 2.854 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106211105 987671310 /nfs/dbraw/zinc/67/13/10/987671310.db2.gz QSBRRVJAUWBUCX-UVJSEXORSA-N 1 3 362.345 2.864 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106211105 987671311 /nfs/dbraw/zinc/67/13/11/987671311.db2.gz QSBRRVJAUWBUCX-UVJSEXORSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001106249672 987757342 /nfs/dbraw/zinc/75/73/42/987757342.db2.gz MXQMXQGQKJDYQH-ATZDWAIDSA-N 1 3 363.571 2.705 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)ccc2O1 ZINC000922239631 988225075 /nfs/dbraw/zinc/22/50/75/988225075.db2.gz JSHKLKDGJFQTLU-KKSFZXQISA-N 1 3 352.478 2.866 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)ccc2O1 ZINC000922239631 988225081 /nfs/dbraw/zinc/22/50/81/988225081.db2.gz JSHKLKDGJFQTLU-KKSFZXQISA-N 1 3 352.478 2.866 20 0 FFADHO COc1cc(C)cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1OC ZINC000922389233 988536132 /nfs/dbraw/zinc/53/61/32/988536132.db2.gz HYCIGUREKBCMCX-DEPWHIHDSA-N 1 3 362.514 2.582 20 0 FFADHO COc1cc(C)cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1OC ZINC000922389233 988536140 /nfs/dbraw/zinc/53/61/40/988536140.db2.gz HYCIGUREKBCMCX-DEPWHIHDSA-N 1 3 362.514 2.582 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@@H]1C(C)C ZINC000922392864 988552217 /nfs/dbraw/zinc/55/22/17/988552217.db2.gz HZXNDVCOXVXFFE-DCXXXQMHSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@@H]1C(C)C ZINC000922392864 988552227 /nfs/dbraw/zinc/55/22/27/988552227.db2.gz HZXNDVCOXVXFFE-DCXXXQMHSA-N 1 3 360.546 2.734 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](CNCc2nc(C)oc2C)[C@H](C)C1)[NH+](CC)CC ZINC001106660664 988605260 /nfs/dbraw/zinc/60/52/60/988605260.db2.gz WNTFEFIGEMOSTJ-BJZITVGISA-N 1 3 364.534 2.596 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]C/C=C/c3ccccc3)[C@H](C)C2)C1 ZINC001106666802 988609692 /nfs/dbraw/zinc/60/96/92/988609692.db2.gz WICWMIKMAHZLAL-AKHBMVNWSA-N 1 3 355.526 2.726 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001106705250 988727941 /nfs/dbraw/zinc/72/79/41/988727941.db2.gz YUCKJYGRVSHYLT-NZSAHSFTSA-N 1 3 366.509 2.756 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOC2CCC2)[C@H](C)C1 ZINC001106729010 988794840 /nfs/dbraw/zinc/79/48/40/988794840.db2.gz CQACGPLEFKFGRW-QWFCFKBJSA-N 1 3 365.562 2.503 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCCO2)[C@H](C)C1 ZINC001106775386 989011677 /nfs/dbraw/zinc/01/16/77/989011677.db2.gz AVJYDDBJBHJQCF-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC001106783689 989045163 /nfs/dbraw/zinc/04/51/63/989045163.db2.gz UVGFVKLFTOWITP-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000673877072 989348317 /nfs/dbraw/zinc/34/83/17/989348317.db2.gz YMQXSXFXRVWFBH-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000673877072 989348330 /nfs/dbraw/zinc/34/83/30/989348330.db2.gz YMQXSXFXRVWFBH-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1C[C@@H](NCc2ccc(CC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000674335912 989663933 /nfs/dbraw/zinc/66/39/33/989663933.db2.gz SKQLOEUOOGODAS-UTKZUKDTSA-N 1 3 351.494 2.857 20 0 FFADHO C[C@@H]1C[C@@H](NCc2ccc(CC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000674335912 989663940 /nfs/dbraw/zinc/66/39/40/989663940.db2.gz SKQLOEUOOGODAS-UTKZUKDTSA-N 1 3 351.494 2.857 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000916196162 989756723 /nfs/dbraw/zinc/75/67/23/989756723.db2.gz PNCYRHCNNUXCTK-UHFFFAOYSA-N 1 3 360.546 2.678 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000674706789 989889742 /nfs/dbraw/zinc/88/97/42/989889742.db2.gz LJOPJXQPJLGBHQ-HBFSDRIKSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C[N@H+]1C1CC1 ZINC000674706789 989889749 /nfs/dbraw/zinc/88/97/49/989889749.db2.gz LJOPJXQPJLGBHQ-HBFSDRIKSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(CCc3ccccc3F)C2)CC[N@@H+]1C ZINC001034213866 989967016 /nfs/dbraw/zinc/96/70/16/989967016.db2.gz CXOVUDHKRCBMBZ-BHIYHBOVSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(CCc3ccccc3F)C2)CC[N@H+]1C ZINC001034213866 989967020 /nfs/dbraw/zinc/96/70/20/989967020.db2.gz CXOVUDHKRCBMBZ-BHIYHBOVSA-N 1 3 361.505 2.679 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)[NH+]3CCCCC3)cc2)CC1 ZINC000918028540 990320432 /nfs/dbraw/zinc/32/04/32/990320432.db2.gz ICINIDQGSOAIFN-GOSISDBHSA-N 1 3 373.545 2.824 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000920309667 990829850 /nfs/dbraw/zinc/82/98/50/990829850.db2.gz KFNOXYDGCHHJQR-UXHICEINSA-N 1 3 372.582 2.742 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000920309667 990829855 /nfs/dbraw/zinc/82/98/55/990829855.db2.gz KFNOXYDGCHHJQR-UXHICEINSA-N 1 3 372.582 2.742 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)N(C)C ZINC000923159734 990913237 /nfs/dbraw/zinc/91/32/37/990913237.db2.gz FVLPEHANVDVSIV-WOJBJXKFSA-N 1 3 373.541 2.657 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000923390849 991110186 /nfs/dbraw/zinc/11/01/86/991110186.db2.gz YOLXAPSAXLUKBY-JFTQMJAMSA-N 1 3 372.431 2.957 20 0 FFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000923487080 991177665 /nfs/dbraw/zinc/17/76/65/991177665.db2.gz WQAOKHWCUYDFAZ-IIBYNOLFSA-N 1 3 369.534 2.893 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC001106910630 991526067 /nfs/dbraw/zinc/52/60/67/991526067.db2.gz HIPQSYIOAJUZRU-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(F)ccc1Cl ZINC001484993025 991806101 /nfs/dbraw/zinc/80/61/01/991806101.db2.gz ITSQQUCRTDDVKM-WOSRLPQWSA-N 1 3 355.885 2.804 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(F)ccc1Cl ZINC001484993025 991806108 /nfs/dbraw/zinc/80/61/08/991806108.db2.gz ITSQQUCRTDDVKM-WOSRLPQWSA-N 1 3 355.885 2.804 20 0 FFADHO Cc1nc(C(C)C)oc1CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722277 991997198 /nfs/dbraw/zinc/99/71/98/991997198.db2.gz GSNTXRQXLGUTEZ-USXIJHARSA-N 1 3 364.534 2.821 20 0 FFADHO Cc1nc(C(C)C)oc1CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485722277 991997219 /nfs/dbraw/zinc/99/72/19/991997219.db2.gz GSNTXRQXLGUTEZ-USXIJHARSA-N 1 3 364.534 2.821 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1ccccc1F ZINC001079322006 991997870 /nfs/dbraw/zinc/99/78/70/991997870.db2.gz IUNSKQSZWDRCMA-SXLOBPIMSA-N 1 3 361.505 2.994 20 0 FFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001079707892 992347741 /nfs/dbraw/zinc/34/77/41/992347741.db2.gz YDRZLVJBSJZGHU-TYCQWZJGSA-N 1 3 355.526 2.527 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710711 992351645 /nfs/dbraw/zinc/35/16/45/992351645.db2.gz SWEPOYGYMYAYIG-UIAACRFSSA-N 1 3 367.493 2.711 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001081174762 993720854 /nfs/dbraw/zinc/72/08/54/993720854.db2.gz IZLGSLAMIGUHQG-PWRODBHTSA-N 1 3 357.542 2.957 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001081179751 993739186 /nfs/dbraw/zinc/73/91/86/993739186.db2.gz IRMXGFGVXYHTTG-DZFGPLHGSA-N 1 3 355.526 2.713 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccccc2)C1 ZINC001081188990 993746230 /nfs/dbraw/zinc/74/62/30/993746230.db2.gz JQKVBTQDGRGSMQ-LEWJYISDSA-N 1 3 360.461 2.737 20 0 FFADHO Cc1cc(C)c(N2CC[C@@H](N(C)CCCN(C)CC[NH+](C)C)C2=O)c(C)c1 ZINC000808781463 994260007 /nfs/dbraw/zinc/26/00/07/994260007.db2.gz HKNAYLPQIVETJJ-HXUWFJFHSA-N 1 3 374.573 2.532 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131464120 994277758 /nfs/dbraw/zinc/27/77/58/994277758.db2.gz FAJZYGDJYFJOQE-AABGKKOBSA-N 1 3 365.562 2.503 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001131519713 994350061 /nfs/dbraw/zinc/35/00/61/994350061.db2.gz VRQHPEWQDMDWEN-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)C1 ZINC001082557199 994926232 /nfs/dbraw/zinc/92/62/32/994926232.db2.gz RQLCGCMVVLPPIJ-YVWKXTFCSA-N 1 3 361.505 2.740 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)C1 ZINC001082557199 994926241 /nfs/dbraw/zinc/92/62/41/994926241.db2.gz RQLCGCMVVLPPIJ-YVWKXTFCSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001082559540 994934744 /nfs/dbraw/zinc/93/47/44/994934744.db2.gz ILKRYHKTQUTLLE-DJKXOVBDSA-N 1 3 355.482 2.710 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3ncccc3c2)C1)N(C)C ZINC001082747549 995303106 /nfs/dbraw/zinc/30/31/06/995303106.db2.gz ZLIXZSMYJCGOSV-YSGRDPCXSA-N 1 3 354.498 2.512 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)N(C)C ZINC001082747400 995303370 /nfs/dbraw/zinc/30/33/70/995303370.db2.gz QOVGIMQHPUPCHE-XYPHTWIQSA-N 1 3 353.457 2.901 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001082741371 995395739 /nfs/dbraw/zinc/39/57/39/995395739.db2.gz YTQMLNHCVXMXCF-JXXFODFXSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC001082742888 995399713 /nfs/dbraw/zinc/39/97/13/995399713.db2.gz VRMHOVCFYYJQED-ZMSDIMECSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082742211 995400001 /nfs/dbraw/zinc/40/00/01/995400001.db2.gz VZPZBYAMOXQDEM-PMUMKWKESA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082742211 995400006 /nfs/dbraw/zinc/40/00/06/995400006.db2.gz VZPZBYAMOXQDEM-PMUMKWKESA-N 1 3 367.896 2.757 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C)c1 ZINC001082940723 995866101 /nfs/dbraw/zinc/86/61/01/995866101.db2.gz NYPFEYFDHMRBJC-DYESRHJHSA-N 1 3 366.509 2.702 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001082943292 995881664 /nfs/dbraw/zinc/88/16/64/995881664.db2.gz CIJXNKAWNDJLGK-AHRSYUTCSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)CN(CC[C@@H]2CCCO2)C3)CC[N@@H+]1C ZINC001054266468 1016000047 /nfs/dbraw/zinc/00/00/47/1016000047.db2.gz XJMSCGJPVACASV-TYCQWZJGSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCc2ccc3c(c2)CN(CC[C@@H]2CCCO2)C3)CC[N@H+]1C ZINC001054266468 1016000055 /nfs/dbraw/zinc/00/00/55/1016000055.db2.gz XJMSCGJPVACASV-TYCQWZJGSA-N 1 3 371.525 2.528 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cncc(C(F)F)c3)CC2)CC1 ZINC000880910757 1016028150 /nfs/dbraw/zinc/02/81/50/1016028150.db2.gz GJMQTOXNNBOTHW-UHFFFAOYSA-N 1 3 367.444 2.699 20 0 FFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663284 996794148 /nfs/dbraw/zinc/79/41/48/996794148.db2.gz VPVPNEQTGVFNKZ-MBOZVWFJSA-N 1 3 353.526 2.778 20 0 FFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663284 996794154 /nfs/dbraw/zinc/79/41/54/996794154.db2.gz VPVPNEQTGVFNKZ-MBOZVWFJSA-N 1 3 353.526 2.778 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001116122491 1032139352 /nfs/dbraw/zinc/13/93/52/1032139352.db2.gz YOSSLBDTVWZKTD-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001116122491 1032139361 /nfs/dbraw/zinc/13/93/61/1032139361.db2.gz YOSSLBDTVWZKTD-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)c1 ZINC001084773634 997298231 /nfs/dbraw/zinc/29/82/31/997298231.db2.gz XGZFBMYTMGQEIF-NJDAHSKKSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1 ZINC001084773634 997298240 /nfs/dbraw/zinc/29/82/40/997298240.db2.gz XGZFBMYTMGQEIF-NJDAHSKKSA-N 1 3 355.526 2.624 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844290777 997775399 /nfs/dbraw/zinc/77/53/99/997775399.db2.gz NSZCCGIWXAWQEL-HXUWFJFHSA-N 1 3 357.498 2.814 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844290777 997775409 /nfs/dbraw/zinc/77/54/09/997775409.db2.gz NSZCCGIWXAWQEL-HXUWFJFHSA-N 1 3 357.498 2.814 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@H]1CCN(C)C1 ZINC000881132445 1016168097 /nfs/dbraw/zinc/16/80/97/1016168097.db2.gz ZPENEVOTDIATSR-UXHICEINSA-N 1 3 371.529 2.529 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@H]1CCN(C)C1 ZINC000881132445 1016168102 /nfs/dbraw/zinc/16/81/02/1016168102.db2.gz ZPENEVOTDIATSR-UXHICEINSA-N 1 3 371.529 2.529 20 0 FFADHO O=C(NCCN1CCCCC1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881134091 1016171546 /nfs/dbraw/zinc/17/15/46/1016171546.db2.gz BYJBIFHJXQZTBP-FQEVSTJZSA-N 1 3 371.529 2.578 20 0 FFADHO O=C(NCCN1CCCCC1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000881134091 1016171553 /nfs/dbraw/zinc/17/15/53/1016171553.db2.gz BYJBIFHJXQZTBP-FQEVSTJZSA-N 1 3 371.529 2.578 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033307 998724552 /nfs/dbraw/zinc/72/45/52/998724552.db2.gz ZUWLLMKYSYBBFD-FUHIMQAGSA-N 1 3 353.526 2.778 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033307 998724555 /nfs/dbraw/zinc/72/45/55/998724555.db2.gz ZUWLLMKYSYBBFD-FUHIMQAGSA-N 1 3 353.526 2.778 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000903840789 1016252622 /nfs/dbraw/zinc/25/26/22/1016252622.db2.gz UNLVIWFKJRPMPP-LRGNLBRXSA-N 1 3 352.478 2.905 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085255046 999269868 /nfs/dbraw/zinc/26/98/68/999269868.db2.gz KZLSCIYQJGTHAK-QRVBRYPASA-N 1 3 362.518 2.620 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085255046 999269871 /nfs/dbraw/zinc/26/98/71/999269871.db2.gz KZLSCIYQJGTHAK-QRVBRYPASA-N 1 3 362.518 2.620 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1F)C12CC[NH+](CC1)C2 ZINC001085394936 999450969 /nfs/dbraw/zinc/45/09/69/999450969.db2.gz MDOZOKYXBLADLE-QZTJIDSGSA-N 1 3 363.452 2.578 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903957668 1016331095 /nfs/dbraw/zinc/33/10/95/1016331095.db2.gz SFNVSFCXBKNUNS-LBPRGKRZSA-N 1 3 368.380 2.562 20 0 FFADHO Cc1cccc(CCCN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001085605372 999593683 /nfs/dbraw/zinc/59/36/83/999593683.db2.gz IAYBYNYYQJNDKF-HLAWJBBLSA-N 1 3 357.542 2.801 20 0 FFADHO Cc1cccc(CCCN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001085605372 999593692 /nfs/dbraw/zinc/59/36/92/999593692.db2.gz IAYBYNYYQJNDKF-HLAWJBBLSA-N 1 3 357.542 2.801 20 0 FFADHO CCN(CCNCc1ccc(Cl)c(OC)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273383088 999716542 /nfs/dbraw/zinc/71/65/42/999716542.db2.gz WJOXJXMLTHXHSJ-GDBMZVCRSA-N 1 3 367.921 2.627 20 0 FFADHO CCN(CCNCc1ccc(Cl)c(OC)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273383088 999716544 /nfs/dbraw/zinc/71/65/44/999716544.db2.gz WJOXJXMLTHXHSJ-GDBMZVCRSA-N 1 3 367.921 2.627 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000743036961 999796953 /nfs/dbraw/zinc/79/69/53/999796953.db2.gz PFGQQELSVMTFKA-UYAOXDASSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000743036961 999796954 /nfs/dbraw/zinc/79/69/54/999796954.db2.gz PFGQQELSVMTFKA-UYAOXDASSA-N 1 3 374.598 2.942 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+](CC)CC)C3)cc2)CC1 ZINC000743077651 999797670 /nfs/dbraw/zinc/79/76/70/999797670.db2.gz DSPMFUFETHLQBA-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO CN(C)Cc1cccc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000746249484 999956525 /nfs/dbraw/zinc/95/65/25/999956525.db2.gz ZUGAETUXNSIQMU-UHFFFAOYSA-N 1 3 355.482 2.965 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3OCCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133798 1000024155 /nfs/dbraw/zinc/02/41/55/1000024155.db2.gz KYJAPKYRKDGPGM-QWPXSNKBSA-N 1 3 371.525 2.957 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3OCCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133798 1000024156 /nfs/dbraw/zinc/02/41/56/1000024156.db2.gz KYJAPKYRKDGPGM-QWPXSNKBSA-N 1 3 371.525 2.957 20 0 FFADHO CC[NH+]1CCC(N[C@@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001169230479 1000032450 /nfs/dbraw/zinc/03/24/50/1000032450.db2.gz CIWLTXAUWLXEER-PXNSSMCTSA-N 1 3 367.534 2.619 20 0 FFADHO CC[NH+]1CCC(NCCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001169238291 1000033580 /nfs/dbraw/zinc/03/35/80/1000033580.db2.gz GSLRZJBWLPHHBF-UHFFFAOYSA-N 1 3 357.454 2.504 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC001169407223 1000043952 /nfs/dbraw/zinc/04/39/52/1000043952.db2.gz AMXXKMRCNULHEC-UFYCRDLUSA-N 1 3 360.498 2.551 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001169407223 1000043954 /nfs/dbraw/zinc/04/39/54/1000043954.db2.gz AMXXKMRCNULHEC-UFYCRDLUSA-N 1 3 360.498 2.551 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001110115560 1000337960 /nfs/dbraw/zinc/33/79/60/1000337960.db2.gz XKGCFQGZVFSOJU-HOJAQTOUSA-N 1 3 363.546 2.543 20 0 FFADHO CCOC(=O)N(C)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000769309458 1000490605 /nfs/dbraw/zinc/49/06/05/1000490605.db2.gz NPKNIJPCQCWHLX-UHFFFAOYSA-N 1 3 363.502 2.680 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1 ZINC001109653832 1000788733 /nfs/dbraw/zinc/78/87/33/1000788733.db2.gz IWINMVVVLZQQIX-QYZOEREBSA-N 1 3 363.933 2.946 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc(Cl)c1N ZINC001146982455 1000800280 /nfs/dbraw/zinc/80/02/80/1000800280.db2.gz SLKVERUPENQWKL-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc(Cl)c1N ZINC001146982455 1000800284 /nfs/dbraw/zinc/80/02/84/1000800284.db2.gz SLKVERUPENQWKL-NSHDSACASA-N 1 3 361.317 2.577 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccc4cc[nH]c4c3)CC2)CC[N@@H+]1C ZINC001000701711 1016442907 /nfs/dbraw/zinc/44/29/07/1016442907.db2.gz KXMLUUWBAWMQSQ-OXQOHEQNSA-N 1 3 366.509 2.756 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccc4cc[nH]c4c3)CC2)CC[N@H+]1C ZINC001000701711 1016442920 /nfs/dbraw/zinc/44/29/20/1016442920.db2.gz KXMLUUWBAWMQSQ-OXQOHEQNSA-N 1 3 366.509 2.756 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H](C)[NH+]3CCCCC3)c2)CC1 ZINC000771273019 1001066500 /nfs/dbraw/zinc/06/65/00/1001066500.db2.gz NPTKSVQGLQMXGX-GOSISDBHSA-N 1 3 373.545 2.824 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCOC)C(C)C ZINC001109860360 1001091065 /nfs/dbraw/zinc/09/10/65/1001091065.db2.gz ZWJRTJITRDCCRQ-FUMNGEBKSA-N 1 3 367.578 2.891 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](OC)c1ccccc1 ZINC001110017811 1001318013 /nfs/dbraw/zinc/31/80/13/1001318013.db2.gz NQSZHYOYSOKRJS-IVAOSVALSA-N 1 3 373.541 2.828 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](OC)c1ccccc1 ZINC001110017811 1001318022 /nfs/dbraw/zinc/31/80/22/1001318022.db2.gz NQSZHYOYSOKRJS-IVAOSVALSA-N 1 3 373.541 2.828 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](C)OC)C1 ZINC001112547253 1001451381 /nfs/dbraw/zinc/45/13/81/1001451381.db2.gz FLCNSCWNXUFAQU-DYXWJJEUSA-N 1 3 367.578 2.752 20 0 FFADHO Cc1cnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CN(C)C(C)C)C3)s1 ZINC001112585938 1001537319 /nfs/dbraw/zinc/53/73/19/1001537319.db2.gz AENLBBGCOWUOGM-LPHOPBHVSA-N 1 3 364.559 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCF)C2)c1 ZINC001112585420 1001543583 /nfs/dbraw/zinc/54/35/83/1001543583.db2.gz XGTQHDKDTLOZPE-FPOVZHCZSA-N 1 3 361.505 2.940 20 0 FFADHO C[C@@]12CN(Cc3ccsc3)C[C@@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001091819423 1001959800 /nfs/dbraw/zinc/95/98/00/1001959800.db2.gz YHZXYNQYDBZGCW-MJGOQNOKSA-N 1 3 359.539 2.657 20 0 FFADHO C[NH+](C)C1(C(=O)NC2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC001182601148 1001977925 /nfs/dbraw/zinc/97/79/25/1001977925.db2.gz DOZNZBXQAJMBCI-UHFFFAOYSA-N 1 3 369.431 2.880 20 0 FFADHO COc1cccc(CN(C(=O)[C@@H](C(C)C)N(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001183366486 1002259221 /nfs/dbraw/zinc/25/92/21/1002259221.db2.gz QWWHMHRVQCVFBN-QWFCFKBJSA-N 1 3 361.530 2.880 20 0 FFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013624 1002286651 /nfs/dbraw/zinc/28/66/51/1002286651.db2.gz VPOGNSNEVIUCOL-LSTHTHJFSA-N 1 3 353.526 2.635 20 0 FFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013624 1002286662 /nfs/dbraw/zinc/28/66/62/1002286662.db2.gz VPOGNSNEVIUCOL-LSTHTHJFSA-N 1 3 353.526 2.635 20 0 FFADHO Fc1cc(F)c2c(c1)C[C@H](NC1CC[NH+](C[C@H]3CCCO3)CC1)CO2 ZINC001184277638 1002558660 /nfs/dbraw/zinc/55/86/60/1002558660.db2.gz LCQPHKDYFYUGLC-DLBZAZTESA-N 1 3 352.425 2.501 20 0 FFADHO C[C@H](C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O)C(F)(F)F ZINC001276284995 1016716182 /nfs/dbraw/zinc/71/61/82/1016716182.db2.gz KRHXGQSBBZRCON-KDOFPFPSSA-N 1 3 369.431 2.737 20 0 FFADHO C[C@H](C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O)C(F)(F)F ZINC001276284995 1016716194 /nfs/dbraw/zinc/71/61/94/1016716194.db2.gz KRHXGQSBBZRCON-KDOFPFPSSA-N 1 3 369.431 2.737 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000775687971 1003682276 /nfs/dbraw/zinc/68/22/76/1003682276.db2.gz FCUMZEKROQVPDS-OXQOHEQNSA-N 1 3 353.466 2.831 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N1CCN(C2CCC(C)CC2)CC1 ZINC001196673911 1003913281 /nfs/dbraw/zinc/91/32/81/1003913281.db2.gz QHARPPZNXUAXDN-UHFFFAOYSA-N 1 3 354.608 2.789 20 0 FFADHO [NH3+]C[C@]1(F)CCCN(Cc2cnc3cc(Br)ccn23)CC1 ZINC001205581994 1004072971 /nfs/dbraw/zinc/07/29/71/1004072971.db2.gz VZZZVBAQEWJWMO-HNNXBMFYSA-N 1 3 355.255 2.750 20 0 FFADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446084 1004171242 /nfs/dbraw/zinc/17/12/42/1004171242.db2.gz VUTLINCAUQWKBP-HBMCJLEFSA-N 1 3 355.526 2.831 20 0 FFADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446084 1004171248 /nfs/dbraw/zinc/17/12/48/1004171248.db2.gz VUTLINCAUQWKBP-HBMCJLEFSA-N 1 3 355.526 2.831 20 0 FFADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723937 1004338528 /nfs/dbraw/zinc/33/85/28/1004338528.db2.gz LWKFADXVDYULIP-MQFDZRFESA-N 1 3 367.578 2.796 20 0 FFADHO CCOC(=O)C1=C(Nc2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)CCNC1 ZINC001170521232 1004547914 /nfs/dbraw/zinc/54/79/14/1004547914.db2.gz PWLBMYOJJYZPAG-UYAOXDASSA-N 1 3 373.497 2.696 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ccc4nccnc4n3)c3ccccc23)CC1 ZINC001170523762 1004584515 /nfs/dbraw/zinc/58/45/15/1004584515.db2.gz CJIADYLOIBYLKZ-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO Cc1cc[n+]([O-])c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170525583 1004615980 /nfs/dbraw/zinc/61/59/80/1004615980.db2.gz ULHDQTNFAWWIOG-UHFFFAOYSA-N 1 3 350.466 2.538 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cccc4nncn43)c3ccccc23)CC1 ZINC001170528176 1004629464 /nfs/dbraw/zinc/62/94/64/1004629464.db2.gz JOGMPTSCAMIMRT-UHFFFAOYSA-N 1 3 360.465 2.639 20 0 FFADHO C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273836434 1005111053 /nfs/dbraw/zinc/11/10/53/1005111053.db2.gz WOLKWSGIMOFVMA-NQIIRXRSSA-N 1 3 358.530 2.561 20 0 FFADHO C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273836434 1005111056 /nfs/dbraw/zinc/11/10/56/1005111056.db2.gz WOLKWSGIMOFVMA-NQIIRXRSSA-N 1 3 358.530 2.561 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001097062972 1016963211 /nfs/dbraw/zinc/96/32/11/1016963211.db2.gz AHFYIWJHAVQWRC-YSHGAJCASA-N 1 3 361.555 2.885 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001097062972 1016963223 /nfs/dbraw/zinc/96/32/23/1016963223.db2.gz AHFYIWJHAVQWRC-YSHGAJCASA-N 1 3 361.555 2.885 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001086712037 1005958411 /nfs/dbraw/zinc/95/84/11/1005958411.db2.gz MLGURXNTNSPCFK-UAGQMJEPSA-N 1 3 357.489 2.781 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC001086711886 1005961106 /nfs/dbraw/zinc/96/11/06/1005961106.db2.gz GFGXTECMZKZUQQ-NSHGMRRFSA-N 1 3 358.530 2.639 20 0 FFADHO C[NH+](C)CCCC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678281763 1017022298 /nfs/dbraw/zinc/02/22/98/1017022298.db2.gz CMRYGMXAMWDJEW-UHFFFAOYSA-N 1 3 353.532 2.612 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661260 1006299597 /nfs/dbraw/zinc/29/95/97/1006299597.db2.gz OLISCMHTUPHBFD-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661260 1006299609 /nfs/dbraw/zinc/29/96/09/1006299609.db2.gz OLISCMHTUPHBFD-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000817970692 1007835174 /nfs/dbraw/zinc/83/51/74/1007835174.db2.gz CLCNEZZKROXXIQ-BBWFWOEESA-N 1 3 357.498 2.962 20 0 FFADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@H](O)c3ccccn3)C2)ccn1 ZINC000856606549 1007914126 /nfs/dbraw/zinc/91/41/26/1007914126.db2.gz KOPGCVCOXQILOB-FPOVZHCZSA-N 1 3 370.497 2.504 20 0 FFADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@H](O)c3ccccn3)C2)ccn1 ZINC000856606549 1007914134 /nfs/dbraw/zinc/91/41/34/1007914134.db2.gz KOPGCVCOXQILOB-FPOVZHCZSA-N 1 3 370.497 2.504 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110754131 1008400523 /nfs/dbraw/zinc/40/05/23/1008400523.db2.gz GGQZLYNFKZOZDX-YSTOQKLRSA-N 1 3 365.562 2.643 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001110754131 1008400526 /nfs/dbraw/zinc/40/05/26/1008400526.db2.gz GGQZLYNFKZOZDX-YSTOQKLRSA-N 1 3 365.562 2.643 20 0 FFADHO CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886604810 1008766942 /nfs/dbraw/zinc/76/69/42/1008766942.db2.gz CWBZROQPQIZDJD-KJJMTIBFSA-N 1 3 355.526 2.888 20 0 FFADHO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000886602870 1008767791 /nfs/dbraw/zinc/76/77/91/1008767791.db2.gz BJNBLSATBGLLGS-ZWKOTPCHSA-N 1 3 368.481 2.616 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001178171668 1008910973 /nfs/dbraw/zinc/91/09/73/1008910973.db2.gz TVWSGMMRMSZKTI-MOPGFXCFSA-N 1 3 358.461 2.683 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)N1CCCC1 ZINC001180579993 1009734437 /nfs/dbraw/zinc/73/44/37/1009734437.db2.gz UILMRXRRNAGIDL-YXYSEUPNSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)N1CCCC1 ZINC001180579993 1009734451 /nfs/dbraw/zinc/73/44/51/1009734451.db2.gz UILMRXRRNAGIDL-YXYSEUPNSA-N 1 3 370.541 2.625 20 0 FFADHO Cc1cccc(N(C(=O)CN(C)C2CCCC2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001180627080 1009775638 /nfs/dbraw/zinc/77/56/38/1009775638.db2.gz BHQSDAZOGCAIDG-IFMALSPDSA-N 1 3 371.525 2.723 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133078 1009972557 /nfs/dbraw/zinc/97/25/57/1009972557.db2.gz OXHIJNZSGNOKPO-ZIAGYGMSSA-N 1 3 367.946 2.681 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001181975411 1010346992 /nfs/dbraw/zinc/34/69/92/1010346992.db2.gz CPWZMEHASIPKHO-GOSISDBHSA-N 1 3 361.505 2.979 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)C1 ZINC001181975411 1010347003 /nfs/dbraw/zinc/34/70/03/1010347003.db2.gz CPWZMEHASIPKHO-GOSISDBHSA-N 1 3 361.505 2.979 20 0 FFADHO CCN1CCC(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001182115950 1010382594 /nfs/dbraw/zinc/38/25/94/1010382594.db2.gz XINGUKYSVRLRPP-UHFFFAOYSA-N 1 3 358.935 2.825 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC001093822680 1010593213 /nfs/dbraw/zinc/59/32/13/1010593213.db2.gz VXENLHRHCFJFJH-FPDPHYFHSA-N 1 3 369.509 2.957 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1C ZINC001094040949 1010803886 /nfs/dbraw/zinc/80/38/86/1010803886.db2.gz QRWMKJWOUKNLHG-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2oc(C(C)C)nc2C)[C@H](C)C1)N(C)C ZINC001094049170 1010808379 /nfs/dbraw/zinc/80/83/79/1010808379.db2.gz KTLCCEGRKAGWEL-OIISXLGYSA-N 1 3 364.534 2.631 20 0 FFADHO Cc1cccc(C)c1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120629415 1010814642 /nfs/dbraw/zinc/81/46/42/1010814642.db2.gz WDWHVZBZCOOVKP-UHFFFAOYSA-N 1 3 358.530 2.661 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000866667517 1011034767 /nfs/dbraw/zinc/03/47/67/1011034767.db2.gz OOIUQQPNCAHBFH-XEYPJELSSA-N 1 3 359.514 2.930 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001094413997 1011098448 /nfs/dbraw/zinc/09/84/48/1011098448.db2.gz OTHMVYIKRFFWNF-JEPKVCRFSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001094413997 1011098452 /nfs/dbraw/zinc/09/84/52/1011098452.db2.gz OTHMVYIKRFFWNF-JEPKVCRFSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2 ZINC001094413997 1011098456 /nfs/dbraw/zinc/09/84/56/1011098456.db2.gz OTHMVYIKRFFWNF-JEPKVCRFSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001094413997 1011098459 /nfs/dbraw/zinc/09/84/59/1011098459.db2.gz OTHMVYIKRFFWNF-JEPKVCRFSA-N 1 3 353.938 2.973 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCN(C)C1 ZINC000645095125 1011338309 /nfs/dbraw/zinc/33/83/09/1011338309.db2.gz HOCHLKPEEFHSKA-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC1=O ZINC001171680313 1011418940 /nfs/dbraw/zinc/41/89/40/1011418940.db2.gz UEVARJFHNRIKQR-SFHVURJKSA-N 1 3 373.497 2.908 20 0 FFADHO Cn1cc(CN2CC[C@@H]3C[N@@H+](C4CC(C)(C)N(C)C(C)(C)C4)C[C@@H]3C2)cn1 ZINC001171634829 1011420575 /nfs/dbraw/zinc/42/05/75/1011420575.db2.gz HYTGAZHIOFIUQR-MOPGFXCFSA-N 1 3 373.589 2.825 20 0 FFADHO Cn1cc(CN2CC[C@@H]3C[N@H+](C4CC(C)(C)N(C)C(C)(C)C4)C[C@@H]3C2)cn1 ZINC001171634829 1011420584 /nfs/dbraw/zinc/42/05/84/1011420584.db2.gz HYTGAZHIOFIUQR-MOPGFXCFSA-N 1 3 373.589 2.825 20 0 FFADHO COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001171712472 1011431696 /nfs/dbraw/zinc/43/16/96/1011431696.db2.gz COAKJXLSFQBCLR-RJGXRXQPSA-N 1 3 368.521 2.984 20 0 FFADHO COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001171712472 1011431701 /nfs/dbraw/zinc/43/17/01/1011431701.db2.gz COAKJXLSFQBCLR-RJGXRXQPSA-N 1 3 368.521 2.984 20 0 FFADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171694996 1011447650 /nfs/dbraw/zinc/44/76/50/1011447650.db2.gz RYDMGABEFYMDBR-WBVHZDCISA-N 1 3 361.486 2.619 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCN1C1CC1 ZINC001172001225 1011559587 /nfs/dbraw/zinc/55/95/87/1011559587.db2.gz ZMECDHOMQYWUGV-IZZBFERCSA-N 1 3 353.510 2.640 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CN(Cc3ccc(F)cc3)CCO1)C2 ZINC001172108506 1011640224 /nfs/dbraw/zinc/64/02/24/1011640224.db2.gz XAQMTQUHOOVVHX-BURNTYAHSA-N 1 3 361.505 2.631 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CN(Cc3ccc(F)cc3)CCO1)C2 ZINC001172108506 1011640234 /nfs/dbraw/zinc/64/02/34/1011640234.db2.gz XAQMTQUHOOVVHX-BURNTYAHSA-N 1 3 361.505 2.631 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC3CCOCC3)nc1)C2 ZINC001172109934 1011644581 /nfs/dbraw/zinc/64/45/81/1011644581.db2.gz GZTFYQPQIXUFFZ-OWZKRDHZSA-N 1 3 359.514 2.992 20 0 FFADHO COCCC[NH+]1CCC(N(C)CCc2ccc(OC)c(OC)c2)CC1 ZINC001172249686 1011720935 /nfs/dbraw/zinc/72/09/35/1011720935.db2.gz NEMZLUOHHKLZQE-UHFFFAOYSA-N 1 3 350.503 2.679 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001172256220 1011733294 /nfs/dbraw/zinc/73/32/94/1011733294.db2.gz SNBQWWAZRZCKSS-QGZVFWFLSA-N 1 3 369.550 2.867 20 0 FFADHO COCCC[NH+]1CCC(N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001172257191 1011733487 /nfs/dbraw/zinc/73/34/87/1011733487.db2.gz LLYIPTQWPZGSHV-HXUWFJFHSA-N 1 3 369.550 2.724 20 0 FFADHO Cc1cc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542033 1012020483 /nfs/dbraw/zinc/02/04/83/1012020483.db2.gz ABTHJTDOFFHVDO-SFHVURJKSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000122852805 1012034340 /nfs/dbraw/zinc/03/43/40/1012034340.db2.gz ZGUHWTZWTBGKMC-ZJPYXAASSA-N 1 3 369.550 2.863 20 0 FFADHO COc1ccccc1[C@@H](N)CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000646603225 1012059084 /nfs/dbraw/zinc/05/90/84/1012059084.db2.gz IIMMXAXUUBYLTR-KRWDZBQOSA-N 1 3 367.449 2.933 20 0 FFADHO CC(C)(C)OC(=O)CN1CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001172882998 1012085321 /nfs/dbraw/zinc/08/53/21/1012085321.db2.gz NFFDDNWNFLCFDY-UHFFFAOYSA-N 1 3 353.551 2.776 20 0 FFADHO CC(C)(C)OC(=O)CN1CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001172882998 1012085340 /nfs/dbraw/zinc/08/53/40/1012085340.db2.gz NFFDDNWNFLCFDY-UHFFFAOYSA-N 1 3 353.551 2.776 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870183001 1012243018 /nfs/dbraw/zinc/24/30/18/1012243018.db2.gz PQAPYSLQTVXILQ-HXUWFJFHSA-N 1 3 355.526 2.867 20 0 FFADHO C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@H]2c1ccccc1 ZINC001275323951 1012298214 /nfs/dbraw/zinc/29/82/14/1012298214.db2.gz FAYRIHAIWBICPO-HOJAQTOUSA-N 1 3 355.526 2.870 20 0 FFADHO CCCC[C@@H](CC(C)C)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001173258846 1012376172 /nfs/dbraw/zinc/37/61/72/1012376172.db2.gz FBOULSGXXWCZCG-INIZCTEOSA-N 1 3 364.534 2.929 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCCC[C@]12CC(=O)N(Cc1ccncc1)C2 ZINC001275511127 1012566427 /nfs/dbraw/zinc/56/64/27/1012566427.db2.gz DISWSVRLVNPSEN-OAQYLSRUSA-N 1 3 358.530 2.626 20 0 FFADHO O=C(NCc1nc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1)c1ccccc1 ZINC000647788320 1012584048 /nfs/dbraw/zinc/58/40/48/1012584048.db2.gz HSSLDOAWCUCGEQ-BRWVUGGUSA-N 1 3 370.522 2.551 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903655 1012625193 /nfs/dbraw/zinc/62/51/93/1012625193.db2.gz NWAWPVBQRZJDGO-PMACEKPBSA-N 1 3 368.529 2.974 20 0 FFADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976361 1012651215 /nfs/dbraw/zinc/65/12/15/1012651215.db2.gz NMXHMTIDELYCAH-MOPGFXCFSA-N 1 3 361.505 2.886 20 0 FFADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976362 1012652435 /nfs/dbraw/zinc/65/24/35/1012652435.db2.gz NMXHMTIDELYCAH-OALUTQOASA-N 1 3 361.505 2.886 20 0 FFADHO COc1ccccc1N1CC[C@H](N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977959 1012653409 /nfs/dbraw/zinc/65/34/09/1012653409.db2.gz KDWXDKRBPHUAPB-SCTDSRPQSA-N 1 3 357.498 2.512 20 0 FFADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978007 1012654011 /nfs/dbraw/zinc/65/40/11/1012654011.db2.gz KXSYQRPHBCAGKB-ICSRJNTNSA-N 1 3 373.541 2.551 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977180 1012655186 /nfs/dbraw/zinc/65/51/86/1012655186.db2.gz YWHSATDZIZHOBG-RYQLBKOJSA-N 1 3 372.513 2.684 20 0 FFADHO CN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC001222012251 1032649962 /nfs/dbraw/zinc/64/99/62/1032649962.db2.gz ZPRLZCIFFUWXTF-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001222012251 1032649968 /nfs/dbraw/zinc/64/99/68/1032649968.db2.gz ZPRLZCIFFUWXTF-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CCCN(C)C1 ZINC001222012251 1032649976 /nfs/dbraw/zinc/64/99/76/1032649976.db2.gz ZPRLZCIFFUWXTF-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173742497 1012933628 /nfs/dbraw/zinc/93/36/28/1012933628.db2.gz KROBENZPQXZDFK-SJORKVTESA-N 1 3 374.920 2.846 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cc2)CC1 ZINC000924721920 1017447602 /nfs/dbraw/zinc/44/76/02/1017447602.db2.gz IGPJLVVBBVGLRH-YADHBBJMSA-N 1 3 357.542 2.729 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)cc2)CC1 ZINC000924721919 1017448149 /nfs/dbraw/zinc/44/81/49/1017448149.db2.gz IGPJLVVBBVGLRH-VXKWHMMOSA-N 1 3 357.542 2.729 20 0 FFADHO Fc1cncc([C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C2CC2)c1 ZINC000925816308 1017858469 /nfs/dbraw/zinc/85/84/69/1017858469.db2.gz HXZWMYOMMWWFNG-NRFANRHFSA-N 1 3 354.473 2.867 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680269538 1017887686 /nfs/dbraw/zinc/88/76/86/1017887686.db2.gz LNYUNFVKJTXVEU-PLACYPQZSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680269538 1017887705 /nfs/dbraw/zinc/88/77/05/1017887705.db2.gz LNYUNFVKJTXVEU-PLACYPQZSA-N 1 3 357.542 2.990 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000680308263 1017917346 /nfs/dbraw/zinc/91/73/46/1017917346.db2.gz JGUBJHKMFZXXJI-NJDAHSKKSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000680308263 1017917355 /nfs/dbraw/zinc/91/73/55/1017917355.db2.gz JGUBJHKMFZXXJI-NJDAHSKKSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C3CC[NH+](C)CC3)c2)CC1 ZINC000681182542 1018401177 /nfs/dbraw/zinc/40/11/77/1018401177.db2.gz KSOAGTYJZRHSEC-KRWDZBQOSA-N 1 3 373.545 2.680 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@H]2CC[NH2+]C[C@H]2F)O1 ZINC001217794965 1032871241 /nfs/dbraw/zinc/87/12/41/1032871241.db2.gz PKNTVAKOYVFYJP-WSTZPKSXSA-N 1 3 350.478 2.773 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC000902430751 1020196059 /nfs/dbraw/zinc/19/60/59/1020196059.db2.gz DNLPXFISQKAQOI-FTSJTYPLSA-N 1 3 370.484 2.738 20 0 FFADHO CC1CC[NH+](Cc2ccc(NC(=O)c3ccnn3CCN(C)C)cc2)CC1 ZINC000900231043 1020289916 /nfs/dbraw/zinc/28/99/16/1020289916.db2.gz WJJRKJXRUIRQDD-UHFFFAOYSA-N 1 3 369.513 2.929 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccnn3CCN(C)C)cc2)C1 ZINC000900242173 1020298245 /nfs/dbraw/zinc/29/82/45/1020298245.db2.gz MCMKJGHUZSKBRM-QGZVFWFLSA-N 1 3 369.513 2.929 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccnn3CCN(C)C)cc2)C1 ZINC000900242173 1020298249 /nfs/dbraw/zinc/29/82/49/1020298249.db2.gz MCMKJGHUZSKBRM-QGZVFWFLSA-N 1 3 369.513 2.929 20 0 FFADHO CN(C)C1(C)CC[NH+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000931349964 1020435564 /nfs/dbraw/zinc/43/55/64/1020435564.db2.gz CFNKWILKCIROSQ-UHFFFAOYSA-N 1 3 356.518 2.927 20 0 FFADHO COc1ccc2c(c1)C[C@H](C)C[C@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000902795503 1020482162 /nfs/dbraw/zinc/48/21/62/1020482162.db2.gz DCKINIMYOGWKAK-HRAATJIYSA-N 1 3 373.541 2.851 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001046330428 1020594930 /nfs/dbraw/zinc/59/49/30/1020594930.db2.gz JFQQIWBVGBYGKU-QKNQBKEWSA-N 1 3 361.505 2.967 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001046330428 1020594938 /nfs/dbraw/zinc/59/49/38/1020594938.db2.gz JFQQIWBVGBYGKU-QKNQBKEWSA-N 1 3 361.505 2.967 20 0 FFADHO CN1CCN(C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2)CC1 ZINC000903089294 1020671428 /nfs/dbraw/zinc/67/14/28/1020671428.db2.gz PDUHBKPMQAINMR-MWWJCJHHSA-N 1 3 368.569 2.723 20 0 FFADHO CN1CCN(C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2)CC1 ZINC000903089294 1020671431 /nfs/dbraw/zinc/67/14/31/1020671431.db2.gz PDUHBKPMQAINMR-MWWJCJHHSA-N 1 3 368.569 2.723 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903119958 1020687890 /nfs/dbraw/zinc/68/78/90/1020687890.db2.gz LPHOEHAVWUUUCB-BBWFWOEESA-N 1 3 369.550 2.911 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903164168 1020712645 /nfs/dbraw/zinc/71/26/45/1020712645.db2.gz FYFYYMCBYUFIEH-CLORWUCXSA-N 1 3 367.537 2.968 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903164168 1020712654 /nfs/dbraw/zinc/71/26/54/1020712654.db2.gz FYFYYMCBYUFIEH-CLORWUCXSA-N 1 3 367.537 2.968 20 0 FFADHO CC(C)(C)OC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOCC1 ZINC000903193166 1020731233 /nfs/dbraw/zinc/73/12/33/1020731233.db2.gz SMHVPQFNXSSSGU-ZNXRZULTSA-N 1 3 364.530 2.872 20 0 FFADHO CC(C)(C)OC(=O)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOCC1 ZINC000903193166 1020731242 /nfs/dbraw/zinc/73/12/42/1020731242.db2.gz SMHVPQFNXSSSGU-ZNXRZULTSA-N 1 3 364.530 2.872 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223355 1020744516 /nfs/dbraw/zinc/74/45/16/1020744516.db2.gz IACFSSJSIYLURH-AQNXPRMDSA-N 1 3 353.510 2.566 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1 ZINC001098224713 1020745190 /nfs/dbraw/zinc/74/51/90/1020745190.db2.gz BMMGZVQXQCUAQN-AQNXPRMDSA-N 1 3 353.510 2.566 20 0 FFADHO O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1Cl ZINC001098401733 1020877350 /nfs/dbraw/zinc/87/73/50/1020877350.db2.gz MMTJFVLKDZTUIK-QRQLOZEOSA-N 1 3 361.917 2.700 20 0 FFADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1Cl ZINC001098401733 1020877359 /nfs/dbraw/zinc/87/73/59/1020877359.db2.gz MMTJFVLKDZTUIK-QRQLOZEOSA-N 1 3 361.917 2.700 20 0 FFADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1Cl ZINC001098401733 1020877368 /nfs/dbraw/zinc/87/73/68/1020877368.db2.gz MMTJFVLKDZTUIK-QRQLOZEOSA-N 1 3 361.917 2.700 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000749572791 1021008675 /nfs/dbraw/zinc/00/86/75/1021008675.db2.gz RHEQEPKBQSWTNM-FQEVSTJZSA-N 1 3 359.514 2.650 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000749572791 1021008679 /nfs/dbraw/zinc/00/86/79/1021008679.db2.gz RHEQEPKBQSWTNM-FQEVSTJZSA-N 1 3 359.514 2.650 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001098996473 1021554828 /nfs/dbraw/zinc/55/48/28/1021554828.db2.gz KPNHGOZFVDKXHN-UZSDIVCKSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996473 1021554831 /nfs/dbraw/zinc/55/48/31/1021554831.db2.gz KPNHGOZFVDKXHN-UZSDIVCKSA-N 1 3 370.541 2.591 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001014485997 1021860534 /nfs/dbraw/zinc/86/05/34/1021860534.db2.gz YNTOTLGYFGFUNA-JRGCBEDISA-N 1 3 357.542 2.916 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001014485997 1021860544 /nfs/dbraw/zinc/86/05/44/1021860544.db2.gz YNTOTLGYFGFUNA-JRGCBEDISA-N 1 3 357.542 2.916 20 0 FFADHO Cc1ccc(-c2cccc(C[N@@H+]3CC4(CNC4)[C@]4(CCNC4=O)C3)c2)cc1 ZINC001222527050 1033031366 /nfs/dbraw/zinc/03/13/66/1033031366.db2.gz HSSQQXJTUWEMER-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1ccc(-c2cccc(C[N@H+]3CC4(CNC4)[C@]4(CCNC4=O)C3)c2)cc1 ZINC001222527050 1033031374 /nfs/dbraw/zinc/03/13/74/1033031374.db2.gz HSSQQXJTUWEMER-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1cccc(-c2ccc(C[N@@H+]3CC4(CNC4)[C@@]4(CCNC4=O)C3)cc2)c1 ZINC001222528024 1033032246 /nfs/dbraw/zinc/03/22/46/1033032246.db2.gz SXISQMVTBPMAAD-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1cccc(-c2ccc(C[N@H+]3CC4(CNC4)[C@@]4(CCNC4=O)C3)cc2)c1 ZINC001222528024 1033032258 /nfs/dbraw/zinc/03/22/58/1033032258.db2.gz SXISQMVTBPMAAD-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001111230719 1022509419 /nfs/dbraw/zinc/50/94/19/1022509419.db2.gz ULJXTLUIYXRELQ-RLLQIKCJSA-N 1 3 359.514 2.519 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001111230719 1022509429 /nfs/dbraw/zinc/50/94/29/1022509429.db2.gz ULJXTLUIYXRELQ-RLLQIKCJSA-N 1 3 359.514 2.519 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncc(C)s2)C1)N(C)C ZINC001099453957 1022553757 /nfs/dbraw/zinc/55/37/57/1022553757.db2.gz YTFJFZCVBMQPNY-FCEWJHQRSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656459 1033095351 /nfs/dbraw/zinc/09/53/51/1033095351.db2.gz IHOIXKRNZQIOBK-AABGKKOBSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656459 1033095358 /nfs/dbraw/zinc/09/53/58/1033095358.db2.gz IHOIXKRNZQIOBK-AABGKKOBSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001122249130 1023144535 /nfs/dbraw/zinc/14/45/35/1023144535.db2.gz PUXRAHWWTVYTRF-BZSNNMDCSA-N 1 3 359.514 2.506 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)OC[C@@H]3Cc3ccccc3)C[C@@H]2C1 ZINC001120358441 1023313488 /nfs/dbraw/zinc/31/34/88/1023313488.db2.gz AIQHDPOZZCSTJB-WCIQWLHISA-N 1 3 357.498 2.670 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C[C@@H]2C1 ZINC001120372022 1023317227 /nfs/dbraw/zinc/31/72/27/1023317227.db2.gz XREACHXPZYSFNE-BWPNAZKDSA-N 1 3 372.513 2.542 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[C@H]1C[NH3+] ZINC001120474915 1023335737 /nfs/dbraw/zinc/33/57/37/1023335737.db2.gz NNUIKAGPHNZJLB-PMPSAXMXSA-N 1 3 350.532 2.511 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363665 1033124581 /nfs/dbraw/zinc/12/45/81/1033124581.db2.gz YWPFPFBZHZLTLQ-OBNUAKFSSA-N 1 3 363.546 2.519 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218376115 1033127895 /nfs/dbraw/zinc/12/78/95/1033127895.db2.gz BRODCHSVADTWOB-RBUKOAKNSA-N 1 3 365.562 2.743 20 0 FFADHO CO[C@@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2)c1ccccc1 ZINC001111298888 1023674347 /nfs/dbraw/zinc/67/43/47/1023674347.db2.gz WIJRGYYNUZWBDQ-CGXNFDGLSA-N 1 3 373.541 2.828 20 0 FFADHO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCN(C)C3)n2C)CC1 ZINC001121523213 1023825331 /nfs/dbraw/zinc/82/53/31/1023825331.db2.gz INECAKUHXGIMBM-SFHVURJKSA-N 1 3 362.566 2.573 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCN(C)C3)n2C)CC1 ZINC001121523213 1023825339 /nfs/dbraw/zinc/82/53/39/1023825339.db2.gz INECAKUHXGIMBM-SFHVURJKSA-N 1 3 362.566 2.573 20 0 FFADHO CN1CCC[C@@H](c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC2CC2)C1 ZINC001123586191 1023882651 /nfs/dbraw/zinc/88/26/51/1023882651.db2.gz AQBROUDXEIBRKJ-RTBURBONSA-N 1 3 372.561 2.562 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001095812253 1023953785 /nfs/dbraw/zinc/95/37/85/1023953785.db2.gz HOUGADNPJWETMC-BTHPGYMESA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)[C@@H](C1CC1)N1CCCC1 ZINC001095812253 1023953789 /nfs/dbraw/zinc/95/37/89/1023953789.db2.gz HOUGADNPJWETMC-BTHPGYMESA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)[C@@H](C1CC1)N1CCCC1 ZINC001095812253 1023953797 /nfs/dbraw/zinc/95/37/97/1023953797.db2.gz HOUGADNPJWETMC-BTHPGYMESA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001095812881 1023960107 /nfs/dbraw/zinc/96/01/07/1023960107.db2.gz SPWCUCYKXDFLSJ-OWSLCNJRSA-N 1 3 367.484 2.628 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1)[C@H](C1CC1)N1CCCC1 ZINC001095812881 1023960112 /nfs/dbraw/zinc/96/01/12/1023960112.db2.gz SPWCUCYKXDFLSJ-OWSLCNJRSA-N 1 3 367.484 2.628 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1)[C@H](C1CC1)N1CCCC1 ZINC001095812881 1023960122 /nfs/dbraw/zinc/96/01/22/1023960122.db2.gz SPWCUCYKXDFLSJ-OWSLCNJRSA-N 1 3 367.484 2.628 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101257981 1024224934 /nfs/dbraw/zinc/22/49/34/1024224934.db2.gz WJLPDYUPUOFXLT-GGPKGHCWSA-N 1 3 353.526 2.781 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101257981 1024224950 /nfs/dbraw/zinc/22/49/50/1024224950.db2.gz WJLPDYUPUOFXLT-GGPKGHCWSA-N 1 3 353.526 2.781 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001137849563 1033203143 /nfs/dbraw/zinc/20/31/43/1033203143.db2.gz UZLATFOCRDYSNA-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001137849563 1033203157 /nfs/dbraw/zinc/20/31/57/1033203157.db2.gz UZLATFOCRDYSNA-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1 ZINC001101398089 1024632536 /nfs/dbraw/zinc/63/25/36/1024632536.db2.gz XGXQFQJDHDMKMM-CTNGQTDRSA-N 1 3 361.505 2.778 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1 ZINC001101398089 1024632541 /nfs/dbraw/zinc/63/25/41/1024632541.db2.gz XGXQFQJDHDMKMM-CTNGQTDRSA-N 1 3 361.505 2.778 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001101398086 1024632619 /nfs/dbraw/zinc/63/26/19/1024632619.db2.gz XATPWOSYFSSESH-NVVTVWOSSA-N 1 3 355.526 2.822 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001101398086 1024632621 /nfs/dbraw/zinc/63/26/21/1024632621.db2.gz XATPWOSYFSSESH-NVVTVWOSSA-N 1 3 355.526 2.822 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001102015370 1025298364 /nfs/dbraw/zinc/29/83/64/1025298364.db2.gz DPWWEMRQBCBJRC-OIISXLGYSA-N 1 3 355.523 2.612 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001102015370 1025298371 /nfs/dbraw/zinc/29/83/71/1025298371.db2.gz DPWWEMRQBCBJRC-OIISXLGYSA-N 1 3 355.523 2.612 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416525 1025331218 /nfs/dbraw/zinc/33/12/18/1025331218.db2.gz PJWRCKDINDOVIF-AQNXPRMDSA-N 1 3 365.562 2.791 20 0 FFADHO C[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046244 1025349541 /nfs/dbraw/zinc/34/95/41/1025349541.db2.gz UJMXJKDIJHWCSN-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046244 1025349551 /nfs/dbraw/zinc/34/95/51/1025349551.db2.gz UJMXJKDIJHWCSN-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102050163 1025359432 /nfs/dbraw/zinc/35/94/32/1025359432.db2.gz YOWRDOXABOFHAL-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102050163 1025359442 /nfs/dbraw/zinc/35/94/42/1025359442.db2.gz YOWRDOXABOFHAL-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c(C)c1 ZINC001102051719 1025363493 /nfs/dbraw/zinc/36/34/93/1025363493.db2.gz IGCMTZSCACYGAM-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c(C)c1 ZINC001102051719 1025363505 /nfs/dbraw/zinc/36/35/05/1025363505.db2.gz IGCMTZSCACYGAM-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001102087910 1025413283 /nfs/dbraw/zinc/41/32/83/1025413283.db2.gz AXSRLPPSBJNMEZ-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001102087910 1025413286 /nfs/dbraw/zinc/41/32/86/1025413286.db2.gz AXSRLPPSBJNMEZ-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1C ZINC001102103275 1025427130 /nfs/dbraw/zinc/42/71/30/1025427130.db2.gz LWDDXNLODPPVHL-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1C ZINC001102103275 1025427137 /nfs/dbraw/zinc/42/71/37/1025427137.db2.gz LWDDXNLODPPVHL-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102214698 1025596296 /nfs/dbraw/zinc/59/62/96/1025596296.db2.gz AMCPDXKEXXSHIN-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102214698 1025596305 /nfs/dbraw/zinc/59/63/05/1025596305.db2.gz AMCPDXKEXXSHIN-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc2c(c1)OCCO2 ZINC000638305405 1025777704 /nfs/dbraw/zinc/77/77/04/1025777704.db2.gz XANVCQGTJUUKAQ-HXUWFJFHSA-N 1 3 362.514 2.980 20 0 FFADHO C[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366431 1025817366 /nfs/dbraw/zinc/81/73/66/1025817366.db2.gz FGMBOQWFLZCKKY-OWCLPIDISA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366431 1025817376 /nfs/dbraw/zinc/81/73/76/1025817376.db2.gz FGMBOQWFLZCKKY-OWCLPIDISA-N 1 3 363.468 2.887 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2C)C1 ZINC001102370082 1025824935 /nfs/dbraw/zinc/82/49/35/1025824935.db2.gz QFKOMCVPSLZGED-NLWGTHIKSA-N 1 3 361.574 2.983 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2C)C1 ZINC001102370082 1025824948 /nfs/dbraw/zinc/82/49/48/1025824948.db2.gz QFKOMCVPSLZGED-NLWGTHIKSA-N 1 3 361.574 2.983 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1C)N(C)C ZINC001102377752 1025848908 /nfs/dbraw/zinc/84/89/08/1025848908.db2.gz FUEFNKFYXKJGIU-KFWWJZLASA-N 1 3 351.457 2.743 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C)N(C)C ZINC001102377752 1025848932 /nfs/dbraw/zinc/84/89/32/1025848932.db2.gz FUEFNKFYXKJGIU-KFWWJZLASA-N 1 3 351.457 2.743 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430613 1025964323 /nfs/dbraw/zinc/96/43/23/1025964323.db2.gz YOBPPFFGFPWPHM-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430613 1025964332 /nfs/dbraw/zinc/96/43/32/1025964332.db2.gz YOBPPFFGFPWPHM-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC001102496406 1026130275 /nfs/dbraw/zinc/13/02/75/1026130275.db2.gz TVBUNKAFNAZCIG-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC001102496406 1026130277 /nfs/dbraw/zinc/13/02/77/1026130277.db2.gz TVBUNKAFNAZCIG-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC001102496369 1026130435 /nfs/dbraw/zinc/13/04/35/1026130435.db2.gz RPUSTRPKZUHDHD-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC001102496369 1026130440 /nfs/dbraw/zinc/13/04/40/1026130440.db2.gz RPUSTRPKZUHDHD-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1Cn1cccn1 ZINC000639162727 1026202616 /nfs/dbraw/zinc/20/26/16/1026202616.db2.gz QBHZTUAOYLNMGU-YOFSQIOKSA-N 1 3 354.498 2.997 20 0 FFADHO COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1Cn1cccn1 ZINC000639162727 1026202631 /nfs/dbraw/zinc/20/26/31/1026202631.db2.gz QBHZTUAOYLNMGU-YOFSQIOKSA-N 1 3 354.498 2.997 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC001102525100 1026216016 /nfs/dbraw/zinc/21/60/16/1026216016.db2.gz KVCSSXPNTUAIPW-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC001102525100 1026216030 /nfs/dbraw/zinc/21/60/30/1026216030.db2.gz KVCSSXPNTUAIPW-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO O[C@]1(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639542930 1026359884 /nfs/dbraw/zinc/35/98/84/1026359884.db2.gz ABAJZXQLLQCWIS-WWNPGLIZSA-N 1 3 369.553 2.572 20 0 FFADHO O[C@]1(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639542930 1026359893 /nfs/dbraw/zinc/35/98/93/1026359893.db2.gz ABAJZXQLLQCWIS-WWNPGLIZSA-N 1 3 369.553 2.572 20 0 FFADHO CC(C)c1cccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)n1 ZINC001102601027 1026401635 /nfs/dbraw/zinc/40/16/35/1026401635.db2.gz HHKNZFVXVRXBRW-QZTJIDSGSA-N 1 3 360.546 2.729 20 0 FFADHO CC(C)c1cccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)n1 ZINC001102601027 1026401640 /nfs/dbraw/zinc/40/16/40/1026401640.db2.gz HHKNZFVXVRXBRW-QZTJIDSGSA-N 1 3 360.546 2.729 20 0 FFADHO C[C@@H]1CN(C[C@@H](C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c2ccccc2)C[C@H](C)[C@H]1O ZINC000639813401 1026479367 /nfs/dbraw/zinc/47/93/67/1026479367.db2.gz HZIMKULXXGOMTI-HFRQWWDGSA-N 1 3 374.569 2.668 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H](CN2C[C@H](C)C(O)[C@@H](C)C2)c2ccccc2)C[C@H](C)[C@H]1O ZINC000639813401 1026479376 /nfs/dbraw/zinc/47/93/76/1026479376.db2.gz HZIMKULXXGOMTI-HFRQWWDGSA-N 1 3 374.569 2.668 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H](CN2C[C@H](C)C(O)[C@@H](C)C2)c2ccccc2)C[C@H](C)[C@H]1O ZINC000639813401 1026479381 /nfs/dbraw/zinc/47/93/81/1026479381.db2.gz HZIMKULXXGOMTI-HFRQWWDGSA-N 1 3 374.569 2.668 20 0 FFADHO O=C(CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000838863288 1026519604 /nfs/dbraw/zinc/51/96/04/1026519604.db2.gz AOCVITVXJXYYNB-JOCHJYFZSA-N 1 3 355.526 2.987 20 0 FFADHO O=C(CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000838863288 1026519609 /nfs/dbraw/zinc/51/96/09/1026519609.db2.gz AOCVITVXJXYYNB-JOCHJYFZSA-N 1 3 355.526 2.987 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])c3ccc4ccccc4c3)[C@H]2C1 ZINC000640234032 1026657625 /nfs/dbraw/zinc/65/76/25/1026657625.db2.gz KMDFGJZPAYBMOP-AHRSYUTCSA-N 1 3 352.482 2.575 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090028 1026953026 /nfs/dbraw/zinc/95/30/26/1026953026.db2.gz JQAWTUFWOXGNSX-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090028 1026953030 /nfs/dbraw/zinc/95/30/30/1026953030.db2.gz JQAWTUFWOXGNSX-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)(C)[NH+]1CCC(n2cc(Br)ccc2=NCCN)CC1 ZINC001256566012 1026966160 /nfs/dbraw/zinc/96/61/60/1026966160.db2.gz OYUDAAOWYXZMMA-UHFFFAOYSA-N 1 3 355.324 2.545 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)sn1 ZINC001103111552 1026972277 /nfs/dbraw/zinc/97/22/77/1026972277.db2.gz ASEKOVBEUWRCKY-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)sn1 ZINC001103111552 1026972283 /nfs/dbraw/zinc/97/22/83/1026972283.db2.gz ASEKOVBEUWRCKY-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001103140060 1026996111 /nfs/dbraw/zinc/99/61/11/1026996111.db2.gz LGHUXUBJFBPUPZ-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001103140060 1026996114 /nfs/dbraw/zinc/99/61/14/1026996114.db2.gz LGHUXUBJFBPUPZ-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO c1cnc(OCC2CC[NH2+]CC2)c(NC2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001159295641 1027344383 /nfs/dbraw/zinc/34/43/83/1027344383.db2.gz IKPVWDJRNFEGMF-LJQANCHMSA-N 1 3 372.513 2.641 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438523 1027485416 /nfs/dbraw/zinc/48/54/16/1027485416.db2.gz NWDNIMPBWAESQC-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438523 1027485423 /nfs/dbraw/zinc/48/54/23/1027485423.db2.gz NWDNIMPBWAESQC-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439562 1027486056 /nfs/dbraw/zinc/48/60/56/1027486056.db2.gz IRVRLJHEEXULSZ-HUUCEWRRSA-N 1 3 365.484 2.991 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439562 1027486061 /nfs/dbraw/zinc/48/60/61/1027486061.db2.gz IRVRLJHEEXULSZ-HUUCEWRRSA-N 1 3 365.484 2.991 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439874 1027489089 /nfs/dbraw/zinc/48/90/89/1027489089.db2.gz ZPTBBTNNVKHEML-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439874 1027489096 /nfs/dbraw/zinc/48/90/96/1027489096.db2.gz ZPTBBTNNVKHEML-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO [NH3+][C@H]1CCc2c3ccccc3n(-c3nc(Cl)nc4c3CCNC4)c2C1 ZINC001159947318 1027542377 /nfs/dbraw/zinc/54/23/77/1027542377.db2.gz LYZLSZMVCMEAFX-NSHDSACASA-N 1 3 353.857 2.536 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(CCOCC(C)C)CC2)CC[N@@H+]1C ZINC001160169066 1027619638 /nfs/dbraw/zinc/61/96/38/1027619638.db2.gz IDAMOFPSHOXWOV-VQTJNVASSA-N 1 3 365.562 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(CCOCC(C)C)CC2)CC[N@H+]1C ZINC001160169066 1027619645 /nfs/dbraw/zinc/61/96/45/1027619645.db2.gz IDAMOFPSHOXWOV-VQTJNVASSA-N 1 3 365.562 2.528 20 0 FFADHO CN1CCN(Cc2cccc(Nc3cccc4c3[C@H]3C[NH2+]C[C@H]3O4)c2)CC1 ZINC001160395237 1027693068 /nfs/dbraw/zinc/69/30/68/1027693068.db2.gz PVELLRFBDKLGRH-GHTZIAJQSA-N 1 3 364.493 2.625 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)C2CC[NH2+]CC2)cc1 ZINC001160958393 1027947215 /nfs/dbraw/zinc/94/72/15/1027947215.db2.gz VSTGIFMMRMKQKH-IBGZPJMESA-N 1 3 359.514 2.508 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001103677000 1027957920 /nfs/dbraw/zinc/95/79/20/1027957920.db2.gz FCVFVQCJKJKOTN-CRAIPNDOSA-N 1 3 358.530 2.915 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001103677000 1027957933 /nfs/dbraw/zinc/95/79/33/1027957933.db2.gz FCVFVQCJKJKOTN-CRAIPNDOSA-N 1 3 358.530 2.915 20 0 FFADHO COc1cccc([C@H](N)CC(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001161429580 1028167412 /nfs/dbraw/zinc/16/74/12/1028167412.db2.gz UNPRWIOECKZASW-OAQYLSRUSA-N 1 3 367.493 2.866 20 0 FFADHO CN(C)CCN(C(=O)CCCc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001161443463 1028176491 /nfs/dbraw/zinc/17/64/91/1028176491.db2.gz VEZCESMGHVNISU-SFHVURJKSA-N 1 3 356.514 2.633 20 0 FFADHO Clc1cc(NCC2(c3cccnc3)CC[NH2+]CC2)c2c(n1)CNCC2 ZINC001162036497 1028408361 /nfs/dbraw/zinc/40/83/61/1028408361.db2.gz KGKJCHXGSPQOGB-UHFFFAOYSA-N 1 3 357.889 2.509 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001162480312 1028551722 /nfs/dbraw/zinc/55/17/22/1028551722.db2.gz HTCXOHAWQLHMSB-HKBOAZHASA-N 1 3 355.526 2.984 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001162480312 1028551727 /nfs/dbraw/zinc/55/17/27/1028551727.db2.gz HTCXOHAWQLHMSB-HKBOAZHASA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1[nH]c(C2CC[NH2+]CC2)cc2ncnc1-2 ZINC001162759184 1028646219 /nfs/dbraw/zinc/64/62/19/1028646219.db2.gz AJGMWHRUUHKGOW-GFCCVEGCSA-N 1 3 361.453 2.784 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1nc(C[NH3+])ccc1NC(=O)C(C)(C)C ZINC001162758738 1028646399 /nfs/dbraw/zinc/64/63/99/1028646399.db2.gz LRRGWNQLZIYDDW-GFCCVEGCSA-N 1 3 366.469 2.884 20 0 FFADHO FC(F)(F)c1cnc(N[C@H]2CN3CCC2CC3)c(C2=CC[NH2+]CC2)c1 ZINC001163388353 1028912951 /nfs/dbraw/zinc/91/29/51/1028912951.db2.gz UWHSTJZQSDFDJY-INIZCTEOSA-N 1 3 352.404 2.983 20 0 FFADHO COc1cccc([C@H]([NH3+])CC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC001157579961 1029621962 /nfs/dbraw/zinc/62/19/62/1029621962.db2.gz UQJRGRKIORYXNA-HXUWFJFHSA-N 1 3 359.514 2.810 20 0 FFADHO CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001157589992 1029624681 /nfs/dbraw/zinc/62/46/81/1029624681.db2.gz HAKQQYQGTLQZTQ-PXNSSMCTSA-N 1 3 363.546 2.970 20 0 FFADHO COc1ccc2ccnc(N3CCN(CC4CC[NH+](C)CC4)CC3)c2c1 ZINC001157841584 1029674128 /nfs/dbraw/zinc/67/41/28/1029674128.db2.gz FGVFCXHDBSSTSN-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158028446 1029711011 /nfs/dbraw/zinc/71/10/11/1029711011.db2.gz RCRXKYWYQZEPEQ-ZOBUZTSGSA-N 1 3 361.452 2.689 20 0 FFADHO COc1cccc(N(c2cc(Cl)nc3c2CCNC3)C2CC[NH2+]CC2)n1 ZINC001158059607 1029723515 /nfs/dbraw/zinc/72/35/15/1029723515.db2.gz FYMXRQWYFSHQDQ-UHFFFAOYSA-N 1 3 373.888 2.674 20 0 FFADHO Cc1cc2c(nc(Cl)nc2N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)s1 ZINC001158259793 1029776661 /nfs/dbraw/zinc/77/66/61/1029776661.db2.gz VHRSCDBPBDGHDI-LLVKDONJSA-N 1 3 351.907 2.655 20 0 FFADHO Cc1cc2c(nc(Cl)nc2N2CCC([N@H+]3CC[C@@H](N)C3)CC2)s1 ZINC001158259793 1029776667 /nfs/dbraw/zinc/77/66/67/1029776667.db2.gz VHRSCDBPBDGHDI-LLVKDONJSA-N 1 3 351.907 2.655 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cncc(C)c1)C2 ZINC001111949059 1029787417 /nfs/dbraw/zinc/78/74/17/1029787417.db2.gz MACQMFYPVZNJGZ-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cncc(C)c1)C2 ZINC001111949059 1029787425 /nfs/dbraw/zinc/78/74/25/1029787425.db2.gz MACQMFYPVZNJGZ-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO COc1ccnc(N(c2ccc(CN3CCCC3)cn2)C2CC[NH2+]CC2)c1 ZINC001158326117 1029799261 /nfs/dbraw/zinc/79/92/61/1029799261.db2.gz VVKVHNJYOQYTHT-UHFFFAOYSA-N 1 3 367.497 2.971 20 0 FFADHO c1ccc(CN2CC(CNc3ncnc4sc5c(c43)CC[NH2+]C5)C2)cc1 ZINC001165427892 1029977611 /nfs/dbraw/zinc/97/76/11/1029977611.db2.gz ZEEUBJULQWTLHH-UHFFFAOYSA-N 1 3 365.506 2.881 20 0 FFADHO CC[NH+](CC)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1 ZINC001142343247 1030332328 /nfs/dbraw/zinc/33/23/28/1030332328.db2.gz AEEJOLACMULYGH-UHFFFAOYSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000841905576 1030531972 /nfs/dbraw/zinc/53/19/72/1030531972.db2.gz FXWFAGOACKCADC-UWJYYQICSA-N 1 3 366.509 2.650 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001112437039 1030807461 /nfs/dbraw/zinc/80/74/61/1030807461.db2.gz UIZGGLBDDKZHLD-WFXMLNOXSA-N 1 3 365.562 2.504 20 0 FFADHO CCc1ccc2c(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000843389093 1031370432 /nfs/dbraw/zinc/37/04/32/1031370432.db2.gz GQMUZAKCKGPDIC-NQIIRXRSSA-N 1 3 356.466 2.684 20 0 FFADHO Cc1nn(C)cc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204579442 1031373523 /nfs/dbraw/zinc/37/35/23/1031373523.db2.gz DZWUVMXJTMXDDM-OAQYLSRUSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1nn(C)cc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204579442 1031373538 /nfs/dbraw/zinc/37/35/38/1031373538.db2.gz DZWUVMXJTMXDDM-OAQYLSRUSA-N 1 3 368.525 2.984 20 0 FFADHO c1ccc(CN2CCN(c3ccccc3CN3CCC[NH2+]CC3)CC2)cc1 ZINC001204661142 1031403836 /nfs/dbraw/zinc/40/38/36/1031403836.db2.gz XQBNNABIEDJRDJ-UHFFFAOYSA-N 1 3 364.537 2.804 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CC2)C1 ZINC001205419131 1031730848 /nfs/dbraw/zinc/73/08/48/1031730848.db2.gz ATSYYPDSXFXBPR-RBUKOAKNSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cccc(F)c1 ZINC001205439856 1031746975 /nfs/dbraw/zinc/74/69/75/1031746975.db2.gz OALCDLWUUPPEIM-ZOCIIQOWSA-N 1 3 358.461 2.722 20 0 FFADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH3+])n(-c2ccc(C(F)(F)F)cc2)n1 ZINC001218732561 1033309885 /nfs/dbraw/zinc/30/98/85/1033309885.db2.gz SXILXTWFIXJOQI-AWEZNQCLSA-N 1 3 369.391 2.594 20 0 FFADHO CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218911477 1033407122 /nfs/dbraw/zinc/40/71/22/1033407122.db2.gz UDVSANGFBBYFOZ-FQEVSTJZSA-N 1 3 366.509 2.860 20 0 FFADHO O=C(Nc1cccc2c1CNC2)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001218993453 1033446525 /nfs/dbraw/zinc/44/65/25/1033446525.db2.gz OQBDCDTWWWERLP-UHFFFAOYSA-N 1 3 353.441 2.980 20 0 FFADHO C[N@H+](Cc1ccccc1NC(=O)[C@H](N)Cc1c[nH]cn1)C1CCCCC1 ZINC001219024221 1033472782 /nfs/dbraw/zinc/47/27/82/1033472782.db2.gz SSGKBSXERGIMJZ-GOSISDBHSA-N 1 3 355.486 2.683 20 0 FFADHO C[N@@H+](Cc1ccccc1NC(=O)[C@H](N)Cc1c[nH]cn1)C1CCCCC1 ZINC001219024221 1033472792 /nfs/dbraw/zinc/47/27/92/1033472792.db2.gz SSGKBSXERGIMJZ-GOSISDBHSA-N 1 3 355.486 2.683 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001219028142 1033475742 /nfs/dbraw/zinc/47/57/42/1033475742.db2.gz QNVBOKAANXLSEY-WMZOPIPTSA-N 1 3 351.450 2.500 20 0 FFADHO N[C@@H](C(=O)Nc1cccc(N2CC[NH2+]CC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC001219119306 1033522671 /nfs/dbraw/zinc/52/26/71/1033522671.db2.gz WOCAPPAYHOSZNN-FQYNAJQUSA-N 1 3 368.525 2.578 20 0 FFADHO CC(C)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C(F)(F)F)c1 ZINC001219266248 1033576814 /nfs/dbraw/zinc/57/68/14/1033576814.db2.gz DRUINBOJJQWULQ-CXAGYDPISA-N 1 3 355.404 2.966 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001223947020 1033656632 /nfs/dbraw/zinc/65/66/32/1033656632.db2.gz SNCMBRJLKCEPHW-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001223961961 1033660495 /nfs/dbraw/zinc/66/04/95/1033660495.db2.gz CGMLHGQWHMXGRN-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001223961961 1033660505 /nfs/dbraw/zinc/66/05/05/1033660505.db2.gz CGMLHGQWHMXGRN-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@H]1CNC[C@@H](F)C1 ZINC001219487066 1033667280 /nfs/dbraw/zinc/66/72/80/1033667280.db2.gz YJQMPSFWMJSPPU-WSTZPKSXSA-N 1 3 359.489 2.916 20 0 FFADHO N[C@H](CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC001219610428 1033713124 /nfs/dbraw/zinc/71/31/24/1033713124.db2.gz NVQZOZSDTQVRAU-ZWNOBZJWSA-N 1 3 370.202 2.794 20 0 FFADHO C[C@@H]1C[C@@H](CNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C[NH2+]1 ZINC001219684229 1033746070 /nfs/dbraw/zinc/74/60/70/1033746070.db2.gz LOBYJRNNBYBIKW-QZTJIDSGSA-N 1 3 363.505 2.822 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)CC1 ZINC001138246518 1034013786 /nfs/dbraw/zinc/01/37/86/1034013786.db2.gz QILMYIIECPQXBX-UHFFFAOYSA-N 1 3 365.905 2.528 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740628 1034365147 /nfs/dbraw/zinc/36/51/47/1034365147.db2.gz LWKFADXVDYULIP-NNKPGIQBSA-N 1 3 367.578 2.796 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC001226615483 1034757267 /nfs/dbraw/zinc/75/72/67/1034757267.db2.gz WHIZHYZPXUDNPW-AQNXPRMDSA-N 1 3 365.562 2.695 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC001226725842 1034807342 /nfs/dbraw/zinc/80/73/42/1034807342.db2.gz JCKFGPDZUONXBR-INIZCTEOSA-N 1 3 366.525 2.675 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC001226725842 1034807348 /nfs/dbraw/zinc/80/73/48/1034807348.db2.gz JCKFGPDZUONXBR-INIZCTEOSA-N 1 3 366.525 2.675 20 0 FFADHO CC[C@@H](COc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)OC ZINC001227164602 1034956833 /nfs/dbraw/zinc/95/68/33/1034956833.db2.gz KTWZVLIWXHVDED-IBGZPJMESA-N 1 3 351.535 2.675 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221664318 1034965451 /nfs/dbraw/zinc/96/54/51/1034965451.db2.gz PFYJNISAMPQLHQ-GUDVDZBRSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221664318 1034965457 /nfs/dbraw/zinc/96/54/57/1034965457.db2.gz PFYJNISAMPQLHQ-GUDVDZBRSA-N 1 3 353.526 2.779 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001221776836 1035060159 /nfs/dbraw/zinc/06/01/59/1035060159.db2.gz FYSAQLCJOQQHBU-NHCUHLMSSA-N 1 3 355.526 2.939 20 0 FFADHO C[C@@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCC(Cc2ccccc2)CC1 ZINC000834445273 1035386745 /nfs/dbraw/zinc/38/67/45/1035386745.db2.gz WRPQZHQZMDCXOM-IBGZPJMESA-N 1 3 369.553 2.932 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228647042 1036231677 /nfs/dbraw/zinc/23/16/77/1036231677.db2.gz NNJJRLGSVHLVSD-QZTJIDSGSA-N 1 3 355.567 2.654 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1F)N(C)C ZINC001229746683 1036867608 /nfs/dbraw/zinc/86/76/08/1036867608.db2.gz QZSUZYIEDVRCCM-KURKYZTESA-N 1 3 365.493 2.562 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001229859723 1036940646 /nfs/dbraw/zinc/94/06/46/1036940646.db2.gz CODNNJJVKOQXIZ-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC1CCOCC1 ZINC001230284397 1037193812 /nfs/dbraw/zinc/19/38/12/1037193812.db2.gz CLILPWABSZETHS-WOJBJXKFSA-N 1 3 367.578 2.941 20 0 FFADHO c1ccc(C[NH+]2CCC(CN3CCN(C[C@H]4CCCO4)CC3)CC2)cc1 ZINC001207291490 1037320626 /nfs/dbraw/zinc/32/06/26/1037320626.db2.gz PUHINEZVZACBEA-JOCHJYFZSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[NH+]2CCC(CN3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC001207291491 1037320684 /nfs/dbraw/zinc/32/06/84/1037320684.db2.gz PUHINEZVZACBEA-QFIPXVFZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC(C2CCC2)CC1 ZINC001230857721 1037381801 /nfs/dbraw/zinc/38/18/01/1037381801.db2.gz DWENUGYEHZVGNG-IVMQYODDSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC(C2CCC2)CC1 ZINC001230857721 1037381814 /nfs/dbraw/zinc/38/18/14/1037381814.db2.gz DWENUGYEHZVGNG-IVMQYODDSA-N 1 3 352.567 2.917 20 0 FFADHO Cc1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1Br ZINC001235368142 1037509014 /nfs/dbraw/zinc/50/90/14/1037509014.db2.gz LTQCNEIYSRAALF-BFYDXBDKSA-N 1 3 351.288 2.710 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207546969 1037539253 /nfs/dbraw/zinc/53/92/53/1037539253.db2.gz HEDFSVLSGBLNOM-DJKXOVBDSA-N 1 3 355.482 2.710 20 0 FFADHO [NH3+][C@H](CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)c1ccccc1 ZINC001235596213 1037636505 /nfs/dbraw/zinc/63/65/05/1037636505.db2.gz GHOGOLDSFDEYAD-HMXCVIKNSA-N 1 3 355.457 2.663 20 0 FFADHO Cc1cccc(N2C[C@@]3(CCN(CC[C@H]4COC(C)(C)[NH2+]4)C3)CC2=O)c1 ZINC001235595656 1037636654 /nfs/dbraw/zinc/63/66/54/1037636654.db2.gz CVNYJYVOMOOCTF-UWJYYQICSA-N 1 3 357.498 2.538 20 0 FFADHO CC1(CN2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC001235791672 1037747307 /nfs/dbraw/zinc/74/73/07/1037747307.db2.gz BSRKKPJKZAUVCK-MRXNPFEDSA-N 1 3 352.320 2.785 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235794265 1037748988 /nfs/dbraw/zinc/74/89/88/1037748988.db2.gz KMWKMWUQPSRZPX-MRXNPFEDSA-N 1 3 354.336 2.983 20 0 FFADHO c1ccc(CN(C[C@H]2CNCCO2)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235948568 1037851392 /nfs/dbraw/zinc/85/13/92/1037851392.db2.gz PYPWDJDMCSOIMO-XZOQPEGZSA-N 1 3 365.521 2.752 20 0 FFADHO c1ccc(CN(C[C@H]2CNCCO2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235948568 1037851412 /nfs/dbraw/zinc/85/14/12/1037851412.db2.gz PYPWDJDMCSOIMO-XZOQPEGZSA-N 1 3 365.521 2.752 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccc(-c4ccc(F)cc4F)nc3)C2)C1 ZINC001236079972 1037922932 /nfs/dbraw/zinc/92/29/32/1037922932.db2.gz UXTZUTYGIPMUFH-QGZVFWFLSA-N 1 3 358.436 2.634 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)CC1 ZINC001208107800 1038040629 /nfs/dbraw/zinc/04/06/29/1038040629.db2.gz ULSIDPBJUIMKJA-IPMKNSEASA-N 1 3 359.514 2.672 20 0 FFADHO CCOC[C@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cn(CC3CC3)nc21 ZINC001208110455 1038041332 /nfs/dbraw/zinc/04/13/32/1038041332.db2.gz SKJODOWMNWNDQE-LJQANCHMSA-N 1 3 360.546 2.961 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)CC1 ZINC001208107505 1038041466 /nfs/dbraw/zinc/04/14/66/1038041466.db2.gz ONKMMKQGHLOSEO-XUVXKRRUSA-N 1 3 359.514 2.562 20 0 FFADHO CC/C=C\CCCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001208135674 1038074818 /nfs/dbraw/zinc/07/48/18/1038074818.db2.gz JSAQWWUVJFMFPR-ARJAWSKDSA-N 1 3 361.534 2.843 20 0 FFADHO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001277611666 1038191051 /nfs/dbraw/zinc/19/10/51/1038191051.db2.gz KKMWECIPDMBDIJ-OAQYLSRUSA-N 1 3 361.505 2.968 20 0 FFADHO CC(C)CN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001277611666 1038191064 /nfs/dbraw/zinc/19/10/64/1038191064.db2.gz KKMWECIPDMBDIJ-OAQYLSRUSA-N 1 3 361.505 2.968 20 0 FFADHO COc1cccc(OC)c1CN1CCC(n2ccnc2CCC[NH3+])CC1 ZINC001255929928 1038256072 /nfs/dbraw/zinc/25/60/72/1038256072.db2.gz ITLOOOWDFFBCTA-UHFFFAOYSA-N 1 3 358.486 2.629 20 0 FFADHO CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001208401941 1038284487 /nfs/dbraw/zinc/28/44/87/1038284487.db2.gz LSUKZHWOTJWROS-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001208401941 1038284493 /nfs/dbraw/zinc/28/44/93/1038284493.db2.gz LSUKZHWOTJWROS-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO c1cc(CO[C@@H]2CO[C@@]3(C2)CCCN(C2CC[NH+](C4CC4)CC2)C3)ccn1 ZINC001256075750 1038360032 /nfs/dbraw/zinc/36/00/32/1038360032.db2.gz CSQQXZDNUOALOS-FCHUYYIVSA-N 1 3 371.525 2.849 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001256091437 1038377600 /nfs/dbraw/zinc/37/76/00/1038377600.db2.gz RIANRNGVCJNSCL-RTBURBONSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001208530031 1038387123 /nfs/dbraw/zinc/38/71/23/1038387123.db2.gz BUGQSLKYCWRHKA-KBAYOESNSA-N 1 3 351.560 2.703 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001208530031 1038387132 /nfs/dbraw/zinc/38/71/32/1038387132.db2.gz BUGQSLKYCWRHKA-KBAYOESNSA-N 1 3 351.560 2.703 20 0 FFADHO COc1cccnc1C1(CNC2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC001256567324 1038563103 /nfs/dbraw/zinc/56/31/03/1038563103.db2.gz UOUHOFZFGZRHIE-UHFFFAOYSA-N 1 3 361.530 2.991 20 0 FFADHO COc1cccnc1C1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCOCC1 ZINC001256567324 1038563105 /nfs/dbraw/zinc/56/31/05/1038563105.db2.gz UOUHOFZFGZRHIE-UHFFFAOYSA-N 1 3 361.530 2.991 20 0 FFADHO CCN1C(=O)CCC12CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208943370 1038597665 /nfs/dbraw/zinc/59/76/65/1038597665.db2.gz HCXZCTAKQWUIKH-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1C(=O)CCC12CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208943370 1038597668 /nfs/dbraw/zinc/59/76/68/1038597668.db2.gz HCXZCTAKQWUIKH-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO c1ccc(CN2C[C@@H]3C[N@H+](C4CCC(N5CCOCC5)CC4)C[C@@H]3C2)cc1 ZINC001256696386 1038606602 /nfs/dbraw/zinc/60/66/02/1038606602.db2.gz CNYGTHVRWNOSIQ-OIRDZHBESA-N 1 3 369.553 2.694 20 0 FFADHO c1ccc(CN2C[C@@H]3C[N@@H+](C4CCC(N5CCOCC5)CC4)C[C@@H]3C2)cc1 ZINC001256696386 1038606606 /nfs/dbraw/zinc/60/66/06/1038606606.db2.gz CNYGTHVRWNOSIQ-OIRDZHBESA-N 1 3 369.553 2.694 20 0 FFADHO Cc1c(F)ccc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1F ZINC001276620641 1038691990 /nfs/dbraw/zinc/69/19/90/1038691990.db2.gz SVABQPSKLMZRNH-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001257063116 1038697525 /nfs/dbraw/zinc/69/75/25/1038697525.db2.gz PCLFOBMYQCPTPJ-LWYYNNOASA-N 1 3 364.530 2.541 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001257063116 1038697529 /nfs/dbraw/zinc/69/75/29/1038697529.db2.gz PCLFOBMYQCPTPJ-LWYYNNOASA-N 1 3 364.530 2.541 20 0 FFADHO CCCCOC(=O)CC[C@H](C)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001257385547 1038778640 /nfs/dbraw/zinc/77/86/40/1038778640.db2.gz JDDUYZCPPVEHLP-LSDHHAIUSA-N 1 3 359.511 2.678 20 0 FFADHO c1c([C@H]2C[NH2+]CCO2)cn2c1cccc2C1=CC[C@H](N2CCOCC2)CC1 ZINC001245424607 1039003844 /nfs/dbraw/zinc/00/38/44/1039003844.db2.gz HQZBAABYDHTZAY-SIKLNZKXSA-N 1 3 367.493 2.868 20 0 FFADHO Cc1cnc2n1CCN(C)C21CC[NH+](C2CCN(CC(C)C)CC2)CC1 ZINC001258014084 1039112867 /nfs/dbraw/zinc/11/28/67/1039112867.db2.gz BMXWTYQNYVFOAN-UHFFFAOYSA-N 1 3 359.562 2.548 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001245983791 1039176006 /nfs/dbraw/zinc/17/60/06/1039176006.db2.gz ONTBHNLDMYAAKE-BFHYXJOUSA-N 1 3 361.313 2.849 20 0 FFADHO C[C@@H]1CC[C@H](C[NH3+])CN1C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001246028238 1039202062 /nfs/dbraw/zinc/20/20/62/1039202062.db2.gz AYBLULFXRHVCJA-MDZRGWNJSA-N 1 3 362.514 2.561 20 0 FFADHO COc1ccc(C[C@H]2CCC[N@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246049030 1039217864 /nfs/dbraw/zinc/21/78/64/1039217864.db2.gz PXNONMKCBLPYJT-AKIFATBCSA-N 1 3 368.521 2.881 20 0 FFADHO COc1ccc(C[C@H]2CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC001246049030 1039217871 /nfs/dbraw/zinc/21/78/71/1039217871.db2.gz PXNONMKCBLPYJT-AKIFATBCSA-N 1 3 368.521 2.881 20 0 FFADHO C[C@H](CCc1ccc(Br)cc1)NC[C@]1(O)CCCC[NH2+]C1 ZINC001246107460 1039246245 /nfs/dbraw/zinc/24/62/45/1039246245.db2.gz HBBUPUURXMRBPH-PBHICJAKSA-N 1 3 355.320 2.864 20 0 FFADHO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCCCNC1 ZINC001246107460 1039246258 /nfs/dbraw/zinc/24/62/58/1039246258.db2.gz HBBUPUURXMRBPH-PBHICJAKSA-N 1 3 355.320 2.864 20 0 FFADHO Fc1ccc(CC2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246393726 1039336195 /nfs/dbraw/zinc/33/61/95/1039336195.db2.gz XNLMCIOUBYSEKH-JKSUJKDBSA-N 1 3 359.411 2.763 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ncn4ccccc34)C2)C1 ZINC001278447649 1039339744 /nfs/dbraw/zinc/33/97/44/1039339744.db2.gz JAGPSJXILRXGPT-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ncn4ccccc34)C2)C1 ZINC001278447649 1039339754 /nfs/dbraw/zinc/33/97/54/1039339754.db2.gz JAGPSJXILRXGPT-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCCNCC2)CC1 ZINC001246523175 1039382977 /nfs/dbraw/zinc/38/29/77/1039382977.db2.gz CZSMMYKPWWDSSG-UHFFFAOYSA-N 1 3 350.890 2.989 20 0 FFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCNCC2)CC1 ZINC001246523175 1039382991 /nfs/dbraw/zinc/38/29/91/1039382991.db2.gz CZSMMYKPWWDSSG-UHFFFAOYSA-N 1 3 350.890 2.989 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CSc4ccccc4C3)C[C@@H]1CNCCC2 ZINC001246600875 1039410829 /nfs/dbraw/zinc/41/08/29/1039410829.db2.gz FCCMGKQIGIUYAH-QKLQHJQFSA-N 1 3 360.523 2.568 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CSc4ccccc4C3)C[C@@H]1CNCCC2 ZINC001246600875 1039410834 /nfs/dbraw/zinc/41/08/34/1039410834.db2.gz FCCMGKQIGIUYAH-QKLQHJQFSA-N 1 3 360.523 2.568 20 0 FFADHO CCc1ccc(C[C@H](C)N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246656101 1039428388 /nfs/dbraw/zinc/42/83/88/1039428388.db2.gz IMKFTVYZNJQEKE-SFHVURJKSA-N 1 3 370.541 2.654 20 0 FFADHO O=C(Cc1ccccc1)N1CCN(C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246875186 1039515186 /nfs/dbraw/zinc/51/51/86/1039515186.db2.gz MNMWFFQLJHYORM-UHFFFAOYSA-N 1 3 355.526 2.686 20 0 FFADHO CC[NH+]1CCC(CC2CCN([C@@H]3CN[C@](CC)(C(=O)OC)C3)CC2)CC1 ZINC001246901120 1039524135 /nfs/dbraw/zinc/52/41/35/1039524135.db2.gz KZBVDUALFJNULX-FPOVZHCZSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)OC[C@H](O)C[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001252678524 1039644733 /nfs/dbraw/zinc/64/47/33/1039644733.db2.gz ZZXLHDKJGDLGBC-IEBWSBKVSA-N 1 3 350.503 2.742 20 0 FFADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4cccc5nonc54)C[C@H]3CC2)c1 ZINC001278493589 1039956983 /nfs/dbraw/zinc/95/69/83/1039956983.db2.gz LOEQVSAVLIDIOC-IYBDPMFKSA-N 1 3 351.454 2.895 20 0 FFADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4cccc5nonc54)C[C@H]3CC2)c1 ZINC001278493589 1039956997 /nfs/dbraw/zinc/95/69/97/1039956997.db2.gz LOEQVSAVLIDIOC-IYBDPMFKSA-N 1 3 351.454 2.895 20 0 FFADHO FC(F)(F)Oc1cc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)ccc1Cl ZINC001247830607 1039977035 /nfs/dbraw/zinc/97/70/35/1039977035.db2.gz OKEVELFDGCPRCB-VIFPVBQESA-N 1 3 374.750 2.565 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cncc(C)n3)C[C@H]2CC1 ZINC001278497945 1040110972 /nfs/dbraw/zinc/11/09/72/1040110972.db2.gz OFJQPAOCOHLFLL-CALCHBBNSA-N 1 3 357.527 2.894 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cncc(C)n3)C[C@H]2CC1 ZINC001278497945 1040110976 /nfs/dbraw/zinc/11/09/76/1040110976.db2.gz OFJQPAOCOHLFLL-CALCHBBNSA-N 1 3 357.527 2.894 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(Cc2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC001253378018 1040142715 /nfs/dbraw/zinc/14/27/15/1040142715.db2.gz ZFZVZQAKCQEWGB-FQEVSTJZSA-N 1 3 361.436 2.895 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001253410937 1040158631 /nfs/dbraw/zinc/15/86/31/1040158631.db2.gz XRSGFHJKJASBAL-MRXNPFEDSA-N 1 3 355.473 2.911 20 0 FFADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(CO)cc2)n(C)n1 ZINC001278501286 1040195547 /nfs/dbraw/zinc/19/55/47/1040195547.db2.gz XJDOLZQVEFGOLQ-IHWFROFDSA-N 1 3 354.498 2.506 20 0 FFADHO Clc1cnccc1CN1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001278729069 1040232681 /nfs/dbraw/zinc/23/26/81/1040232681.db2.gz IACXRIRNCRFHRL-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1cnccc1CN1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001278729069 1040232695 /nfs/dbraw/zinc/23/26/95/1040232695.db2.gz IACXRIRNCRFHRL-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO c1cnn(-c2ccc(C[NH+]3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)cc2)n1 ZINC001248770856 1040412809 /nfs/dbraw/zinc/41/28/09/1040412809.db2.gz JRNDDPOKDKEZLW-SFTDATJTSA-N 1 3 359.477 2.831 20 0 FFADHO Cn1c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1=O ZINC001248810185 1040445550 /nfs/dbraw/zinc/44/55/50/1040445550.db2.gz BPOFUYQYQIMFTD-VQTJNVASSA-N 1 3 351.494 2.729 20 0 FFADHO Cn1c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cccc1=O ZINC001248810185 1040445560 /nfs/dbraw/zinc/44/55/60/1040445560.db2.gz BPOFUYQYQIMFTD-VQTJNVASSA-N 1 3 351.494 2.729 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001253945725 1040466145 /nfs/dbraw/zinc/46/61/45/1040466145.db2.gz CGQODDFZYCXHDC-NHCUHLMSSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001253945725 1040466156 /nfs/dbraw/zinc/46/61/56/1040466156.db2.gz CGQODDFZYCXHDC-NHCUHLMSSA-N 1 3 370.541 2.919 20 0 FFADHO Oc1cccc2c1CCN(CC1(O)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001254034060 1040534661 /nfs/dbraw/zinc/53/46/61/1040534661.db2.gz DNFFRBXBHDBVIP-UHFFFAOYSA-N 1 3 352.478 2.777 20 0 FFADHO OC1(C[N@@H+]2CC[C@@H](c3ccccn3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038453 1040537997 /nfs/dbraw/zinc/53/79/97/1040537997.db2.gz IJUSPUNHFMUVRM-HXUWFJFHSA-N 1 3 351.494 2.898 20 0 FFADHO OC1(C[N@H+]2CC[C@@H](c3ccccn3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038453 1040538016 /nfs/dbraw/zinc/53/80/16/1040538016.db2.gz IJUSPUNHFMUVRM-HXUWFJFHSA-N 1 3 351.494 2.898 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1OC)N(CC)CC ZINC001213434658 1040547664 /nfs/dbraw/zinc/54/76/64/1040547664.db2.gz KAQJYSONFBLAKI-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1OC)N(CC)CC ZINC001213434658 1040547682 /nfs/dbraw/zinc/54/76/82/1040547682.db2.gz KAQJYSONFBLAKI-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278768902 1040627615 /nfs/dbraw/zinc/62/76/15/1040627615.db2.gz DBSKOUXKOAMOIG-HDICACEKSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278768902 1040627617 /nfs/dbraw/zinc/62/76/17/1040627617.db2.gz DBSKOUXKOAMOIG-HDICACEKSA-N 1 3 363.933 2.880 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3csc(-c4ccncc4)n3)CC2)CC1 ZINC001249310889 1040677126 /nfs/dbraw/zinc/67/71/26/1040677126.db2.gz UTYRTBJSINHSQC-UHFFFAOYSA-N 1 3 371.554 2.665 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213578223 1040688962 /nfs/dbraw/zinc/68/89/62/1040688962.db2.gz IWXIEQIBLGQTOM-WOJBJXKFSA-N 1 3 361.530 2.758 20 0 FFADHO COc1ccsc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001278780594 1040694927 /nfs/dbraw/zinc/69/49/27/1040694927.db2.gz LXWOGQBBBLFEIH-UHFFFAOYSA-N 1 3 351.560 2.996 20 0 FFADHO COc1ccsc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001278780594 1040694930 /nfs/dbraw/zinc/69/49/30/1040694930.db2.gz LXWOGQBBBLFEIH-UHFFFAOYSA-N 1 3 351.560 2.996 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)CC1 ZINC001254523554 1040779721 /nfs/dbraw/zinc/77/97/21/1040779721.db2.gz UULHCRWFNNXTSM-BAGYTPMASA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)CC1 ZINC001254523554 1040779738 /nfs/dbraw/zinc/77/97/38/1040779738.db2.gz UULHCRWFNNXTSM-BAGYTPMASA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001254532995 1040784017 /nfs/dbraw/zinc/78/40/17/1040784017.db2.gz ZRDGAEZLDUCDCM-ZIAGYGMSSA-N 1 3 358.408 2.823 20 0 FFADHO CN1CCC[C@@H]([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001254532995 1040784028 /nfs/dbraw/zinc/78/40/28/1040784028.db2.gz ZRDGAEZLDUCDCM-ZIAGYGMSSA-N 1 3 358.408 2.823 20 0 FFADHO CO[C@@H]1CN([C@H](C)c2cccc(C)c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747334 1040869081 /nfs/dbraw/zinc/86/90/81/1040869081.db2.gz HFYFOFDFNCZHTF-MISYRCLQSA-N 1 3 361.530 2.603 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001213914354 1041068989 /nfs/dbraw/zinc/06/89/89/1041068989.db2.gz BRZAHJKFKMWANY-NHQAVIFJSA-N 1 3 359.514 2.534 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213931100 1041081811 /nfs/dbraw/zinc/08/18/11/1041081811.db2.gz CWNGAWBHHVJKQW-PFRNKHFKSA-N 1 3 365.562 2.669 20 0 FFADHO CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213931674 1041082784 /nfs/dbraw/zinc/08/27/84/1041082784.db2.gz OAPXNNAHLDRLTI-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213931674 1041082800 /nfs/dbraw/zinc/08/28/00/1041082800.db2.gz OAPXNNAHLDRLTI-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)C1 ZINC001254998412 1041091970 /nfs/dbraw/zinc/09/19/70/1041091970.db2.gz XKBLEWQDRLUOSB-AZAAGSRFSA-N 1 3 357.542 2.881 20 0 FFADHO CCCN1C[C@@H]2C[N@H+](C3C[C@@H]4COC[C@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255009427 1041100969 /nfs/dbraw/zinc/10/09/69/1041100969.db2.gz HOOUBEFWZFOJQV-ZRAZRIIESA-N 1 3 369.553 2.692 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+](C3C[C@@H]4COC[C@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255009427 1041100972 /nfs/dbraw/zinc/10/09/72/1041100972.db2.gz HOOUBEFWZFOJQV-ZRAZRIIESA-N 1 3 369.553 2.692 20 0 FFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3cccnc3)CC1)C2 ZINC001255191076 1041190032 /nfs/dbraw/zinc/19/00/32/1041190032.db2.gz DHWWAFHIRNOYGZ-BWTSREIZSA-N 1 3 372.513 2.569 20 0 FFADHO CCN1CCO[C@@H]2C[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255405010 1041322727 /nfs/dbraw/zinc/32/27/27/1041322727.db2.gz VIFICOWFLAREEM-BHDDXSALSA-N 1 3 357.542 2.694 20 0 FFADHO CCN1CCO[C@@H]2C[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255405010 1041322733 /nfs/dbraw/zinc/32/27/33/1041322733.db2.gz VIFICOWFLAREEM-BHDDXSALSA-N 1 3 357.542 2.694 20 0 FFADHO O[C@H](COc1cccc(F)c1)C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001250800550 1041371112 /nfs/dbraw/zinc/37/11/12/1041371112.db2.gz FVNNXTCPMQBCEO-SBHAEUEKSA-N 1 3 370.468 2.629 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001214610594 1041503858 /nfs/dbraw/zinc/50/38/58/1041503858.db2.gz AHZIKDMMBWCUHM-BHIYHBOVSA-N 1 3 363.571 2.990 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCOCC1CCC1 ZINC001214634185 1041513034 /nfs/dbraw/zinc/51/30/34/1041513034.db2.gz DPALBXASTDHDJM-IEBWSBKVSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)Cc1ccc(-c2noc(-c3cccnc3O[C@H]3CC[NH2+]C3)n2)cc1 ZINC001215011802 1041644686 /nfs/dbraw/zinc/64/46/86/1041644686.db2.gz DEDJLCMLMQPZFJ-INIZCTEOSA-N 1 3 365.437 2.601 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)N(C)C)cc1 ZINC001262567452 1041726201 /nfs/dbraw/zinc/72/62/01/1041726201.db2.gz SPPMPKYQKTZWKD-PMPSAXMXSA-N 1 3 372.435 2.519 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccco1 ZINC001262582425 1041737138 /nfs/dbraw/zinc/73/71/38/1041737138.db2.gz VEJFVIRYBHLPHW-UEILYKACSA-N 1 3 356.470 2.633 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccco1 ZINC001262582427 1041738017 /nfs/dbraw/zinc/73/80/17/1041738017.db2.gz VEJFVIRYBHLPHW-WITVHBPWSA-N 1 3 356.470 2.633 20 0 FFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001215474556 1041797440 /nfs/dbraw/zinc/79/74/40/1041797440.db2.gz YOGLHAHCONPCKR-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC001215972976 1041920649 /nfs/dbraw/zinc/92/06/49/1041920649.db2.gz JFOBFYOFRUZQBH-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001216221618 1041981811 /nfs/dbraw/zinc/98/18/11/1041981811.db2.gz JLHZNBFEVOVLRS-FSPWUOQZSA-N 1 3 365.468 2.730 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001216221618 1041981813 /nfs/dbraw/zinc/98/18/13/1041981813.db2.gz JLHZNBFEVOVLRS-FSPWUOQZSA-N 1 3 365.468 2.730 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001216852259 1042144464 /nfs/dbraw/zinc/14/44/64/1042144464.db2.gz SXIOLDMSJLTNRJ-CDHQVMDDSA-N 1 3 361.505 2.980 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C[NH2+]CC=C(C)C ZINC001263971693 1042557621 /nfs/dbraw/zinc/55/76/21/1042557621.db2.gz ASEWSUNGXRLMCI-VAMGGRTRSA-N 1 3 365.562 2.670 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001264655677 1042774091 /nfs/dbraw/zinc/77/40/91/1042774091.db2.gz JQDMTNATGSUCTR-DYXWJJEUSA-N 1 3 355.526 2.796 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001264655677 1042774095 /nfs/dbraw/zinc/77/40/95/1042774095.db2.gz JQDMTNATGSUCTR-DYXWJJEUSA-N 1 3 355.526 2.796 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1CCc1ccccc1F ZINC001264733672 1042815780 /nfs/dbraw/zinc/81/57/80/1042815780.db2.gz KUONYOYFHIPOSY-XLIONFOSSA-N 1 3 361.505 2.823 20 0 FFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2ccccn2)c1 ZINC001279115735 1042905402 /nfs/dbraw/zinc/90/54/02/1042905402.db2.gz DSIRHANDNMGWJW-OYRHEFFESA-N 1 3 350.510 2.959 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccc4scnc4c3)C[C@H]2CC1 ZINC001279251633 1042966949 /nfs/dbraw/zinc/96/69/49/1042966949.db2.gz WSQWBJMGXBGAPC-CALCHBBNSA-N 1 3 372.538 2.528 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccc4scnc4c3)C[C@H]2CC1 ZINC001279251633 1042966952 /nfs/dbraw/zinc/96/69/52/1042966952.db2.gz WSQWBJMGXBGAPC-CALCHBBNSA-N 1 3 372.538 2.528 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CCCN1CCCCC1)C2 ZINC001279275440 1042978923 /nfs/dbraw/zinc/97/89/23/1042978923.db2.gz OXJVICLISIUYDE-PCCBWWKXSA-N 1 3 357.542 2.918 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CCCN1CCCCC1)C2 ZINC001279275440 1042978925 /nfs/dbraw/zinc/97/89/25/1042978925.db2.gz OXJVICLISIUYDE-PCCBWWKXSA-N 1 3 357.542 2.918 20 0 FFADHO COCCOCN1CCC[C@@]2(CCCN(CCC[NH+]3CCCCC3)C2)C1 ZINC001279275607 1042979718 /nfs/dbraw/zinc/97/97/18/1042979718.db2.gz WKCDICLJHUSMEX-OAQYLSRUSA-N 1 3 367.578 2.661 20 0 FFADHO COCCOCN1CCC[C@@]2(CCC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001279275607 1042979721 /nfs/dbraw/zinc/97/97/21/1042979721.db2.gz WKCDICLJHUSMEX-OAQYLSRUSA-N 1 3 367.578 2.661 20 0 FFADHO COCCOCN1CCC[C@@]2(CCC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001279275607 1042979724 /nfs/dbraw/zinc/97/97/24/1042979724.db2.gz WKCDICLJHUSMEX-OAQYLSRUSA-N 1 3 367.578 2.661 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001279330890 1043005088 /nfs/dbraw/zinc/00/50/88/1043005088.db2.gz BBTYPGZDVIFNHA-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001279330890 1043005091 /nfs/dbraw/zinc/00/50/91/1043005091.db2.gz BBTYPGZDVIFNHA-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO Clc1cccnc1CN1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279448865 1043126086 /nfs/dbraw/zinc/12/60/86/1043126086.db2.gz WTHOQUIFPXYUCQ-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1cccnc1CN1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279448865 1043126094 /nfs/dbraw/zinc/12/60/94/1043126094.db2.gz WTHOQUIFPXYUCQ-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1cccc(C(F)(F)F)n1)CC2 ZINC001279459277 1043140094 /nfs/dbraw/zinc/14/00/94/1043140094.db2.gz DEINMUXZAQCVFF-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c(C)n1 ZINC001279464274 1043145204 /nfs/dbraw/zinc/14/52/04/1043145204.db2.gz IEESMLCNTHFUSN-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c(C)n1 ZINC001279464274 1043145213 /nfs/dbraw/zinc/14/52/13/1043145213.db2.gz IEESMLCNTHFUSN-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2[nH]c3ccc(F)cc3c2C)CCC12C[NH2+]C2 ZINC001237431405 1043156529 /nfs/dbraw/zinc/15/65/29/1043156529.db2.gz RZLZUPFMAOCTMF-INIZCTEOSA-N 1 3 359.445 2.590 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cc(C)ccc2C(F)(F)F)CCC12C[NH2+]C2 ZINC001237432191 1043158176 /nfs/dbraw/zinc/15/81/76/1043158176.db2.gz WOBGTXNEXKRDMH-INIZCTEOSA-N 1 3 370.415 2.988 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cccc(-c3ccccc3)n2)CCC12C[NH2+]C2 ZINC001237433042 1043160272 /nfs/dbraw/zinc/16/02/72/1043160272.db2.gz ZSXFPBGABQZMAC-IBGZPJMESA-N 1 3 365.477 2.723 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)cc3N)(C1)CCC2 ZINC001279497217 1043187281 /nfs/dbraw/zinc/18/72/81/1043187281.db2.gz AWBOQVTXFKIYAY-MOPGFXCFSA-N 1 3 369.456 2.692 20 0 FFADHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3ccc(N)cc3Cl)(C1)CCC2 ZINC001279497615 1043188267 /nfs/dbraw/zinc/18/82/67/1043188267.db2.gz UQOYWIPRNXEDSZ-MOPGFXCFSA-N 1 3 364.921 2.535 20 0 FFADHO CC[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)CC1 ZINC001279498219 1043189886 /nfs/dbraw/zinc/18/98/86/1043189886.db2.gz AMCWVOHGKJIKDP-KDURUIRLSA-N 1 3 361.555 2.698 20 0 FFADHO COC(=O)[C@H](C)CN1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001279517179 1043213873 /nfs/dbraw/zinc/21/38/73/1043213873.db2.gz IUAHBRKTTQSYGZ-GDBMZVCRSA-N 1 3 350.425 2.926 20 0 FFADHO COC(=O)[C@H](C)CN1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279517179 1043213880 /nfs/dbraw/zinc/21/38/80/1043213880.db2.gz IUAHBRKTTQSYGZ-GDBMZVCRSA-N 1 3 350.425 2.926 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ncccc3[O-])C[C@H]2CC1 ZINC001279559523 1043254954 /nfs/dbraw/zinc/25/49/54/1043254954.db2.gz TXYGHIAHRWQHJH-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ncccc3[O-])C[C@H]2CC1 ZINC001279559523 1043254963 /nfs/dbraw/zinc/25/49/63/1043254963.db2.gz TXYGHIAHRWQHJH-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ncccc3[O-])C[C@H]2CC1 ZINC001279559523 1043254970 /nfs/dbraw/zinc/25/49/70/1043254970.db2.gz TXYGHIAHRWQHJH-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ncccc3[O-])C[C@H]2CC1 ZINC001279559523 1043254979 /nfs/dbraw/zinc/25/49/79/1043254979.db2.gz TXYGHIAHRWQHJH-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO CCn1nc(C)c(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)c1C ZINC001279611459 1043339438 /nfs/dbraw/zinc/33/94/38/1043339438.db2.gz GFRIJLYCYOVPBZ-OAQYLSRUSA-N 1 3 361.578 2.759 20 0 FFADHO CCn1nc(C)c(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)c1C ZINC001279611459 1043339445 /nfs/dbraw/zinc/33/94/45/1043339445.db2.gz GFRIJLYCYOVPBZ-OAQYLSRUSA-N 1 3 361.578 2.759 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCCC2(CCN(Cc3cccnc3Cl)CC2)C1 ZINC001279666892 1043431765 /nfs/dbraw/zinc/43/17/65/1043431765.db2.gz GCUDGWISVHVENX-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCCC2(CCN(Cc3cccnc3Cl)CC2)C1 ZINC001279666892 1043431771 /nfs/dbraw/zinc/43/17/71/1043431771.db2.gz GCUDGWISVHVENX-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO Cc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279719486 1043523935 /nfs/dbraw/zinc/52/39/35/1043523935.db2.gz NXMXEEQYUCZTLT-CALCHBBNSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279719486 1043523941 /nfs/dbraw/zinc/52/39/41/1043523941.db2.gz NXMXEEQYUCZTLT-CALCHBBNSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1ccc(O)cc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001238098774 1043533352 /nfs/dbraw/zinc/53/33/52/1043533352.db2.gz XCNLJZVLOFHGHA-NHCUHLMSSA-N 1 3 371.525 2.608 20 0 FFADHO C[NH+](C)Cc1ccccc1N1CC[C@H]2[C@@H]1CCN2Cc1cccc(=O)[nH]1 ZINC001279762459 1043603272 /nfs/dbraw/zinc/60/32/72/1043603272.db2.gz JJZTZHVQJRUGDR-PMACEKPBSA-N 1 3 352.482 2.702 20 0 FFADHO COc1ccc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)nc1C ZINC001279797811 1043659011 /nfs/dbraw/zinc/65/90/11/1043659011.db2.gz JINWTVIQYQMDSA-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO COc1ccc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)nc1C ZINC001279797811 1043659016 /nfs/dbraw/zinc/65/90/16/1043659016.db2.gz JINWTVIQYQMDSA-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@H]2CC23CN(Cc2ccccc2C2CC2)C3)CC1 ZINC001279822736 1043708812 /nfs/dbraw/zinc/70/88/12/1043708812.db2.gz KBXMEKYYYLNDCG-HXUWFJFHSA-N 1 3 353.510 2.596 20 0 FFADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4cccc(F)c4F)(C2)C3)CC1 ZINC001279824919 1043715940 /nfs/dbraw/zinc/71/59/40/1043715940.db2.gz QILPHCUBMIHJMY-UHFFFAOYSA-N 1 3 363.452 2.530 20 0 FFADHO O=C(Nc1cn[nH]c1)[C@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001279844853 1043763110 /nfs/dbraw/zinc/76/31/10/1043763110.db2.gz VIUCJDZCHPHGRN-UYAOXDASSA-N 1 3 359.518 2.716 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC001311399097 1043907619 /nfs/dbraw/zinc/90/76/19/1043907619.db2.gz KVRFUJKYPFPNHA-SBHAEUEKSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC001311399097 1043907623 /nfs/dbraw/zinc/90/76/23/1043907623.db2.gz KVRFUJKYPFPNHA-SBHAEUEKSA-N 1 3 372.557 2.989 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1ccc(C)o1 ZINC001279936403 1043948337 /nfs/dbraw/zinc/94/83/37/1043948337.db2.gz NGSVMMGWIMNPCG-LCLWPZTBSA-N 1 3 361.530 2.893 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001311877136 1043994670 /nfs/dbraw/zinc/99/46/70/1043994670.db2.gz JDTXBBCHHUZZML-SBHAEUEKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1CCCCN1C ZINC001312219319 1044072184 /nfs/dbraw/zinc/07/21/84/1044072184.db2.gz OYKSWPSKJBNJQM-JYRKZWEQSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1CCCCN1C ZINC001312219319 1044072199 /nfs/dbraw/zinc/07/21/99/1044072199.db2.gz OYKSWPSKJBNJQM-JYRKZWEQSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)(C)OC(=O)CC[NH+]1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001280046200 1044133153 /nfs/dbraw/zinc/13/31/53/1044133153.db2.gz RWPCNOMCQGWAPW-UHFFFAOYSA-N 1 3 362.518 2.820 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc(F)c1F ZINC001278305949 1044196674 /nfs/dbraw/zinc/19/66/74/1044196674.db2.gz WHJFYEKMPXJCRG-CALCHBBNSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc(F)c1F ZINC001278305949 1044196676 /nfs/dbraw/zinc/19/66/76/1044196676.db2.gz WHJFYEKMPXJCRG-CALCHBBNSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001313422754 1044351621 /nfs/dbraw/zinc/35/16/21/1044351621.db2.gz CCHXDSSXZXXYCQ-QHAWAJNXSA-N 1 3 370.541 2.553 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001313422754 1044351628 /nfs/dbraw/zinc/35/16/28/1044351628.db2.gz CCHXDSSXZXXYCQ-QHAWAJNXSA-N 1 3 370.541 2.553 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001313867913 1044434330 /nfs/dbraw/zinc/43/43/30/1044434330.db2.gz UFTJQFBWVOSUDW-CVEARBPZSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001313867913 1044434338 /nfs/dbraw/zinc/43/43/38/1044434338.db2.gz UFTJQFBWVOSUDW-CVEARBPZSA-N 1 3 360.550 2.559 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](CCCN1CCN(C)CC1)C2 ZINC001280246233 1044463281 /nfs/dbraw/zinc/46/32/81/1044463281.db2.gz VCKGYLPKIYNBNK-VSKRKVRLSA-N 1 3 364.622 2.846 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](CCCN1CCN(C)CC1)C2 ZINC001280246233 1044463290 /nfs/dbraw/zinc/46/32/90/1044463290.db2.gz VCKGYLPKIYNBNK-VSKRKVRLSA-N 1 3 364.622 2.846 20 0 FFADHO CCN1CCN(c2ccc(-c3cccc(N4CC[NH2+]CC4)c3)cc2)CC1 ZINC001241743815 1044583529 /nfs/dbraw/zinc/58/35/29/1044583529.db2.gz QIKZHQJTODPXML-UHFFFAOYSA-N 1 3 350.510 2.905 20 0 FFADHO CCN1CCN(c2ccc(-c3ccc4c(C5C[NH2+]C5)ncn4c3)cc2)CC1 ZINC001241743140 1044584465 /nfs/dbraw/zinc/58/44/65/1044584465.db2.gz GQOIBZAJHSOJSF-UHFFFAOYSA-N 1 3 361.493 2.830 20 0 FFADHO Cc1cnc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c(C)c1 ZINC001280325783 1044610627 /nfs/dbraw/zinc/61/06/27/1044610627.db2.gz WZKKNTNUTNRGAP-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO Cc1cnc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c(C)c1 ZINC001280325783 1044610629 /nfs/dbraw/zinc/61/06/29/1044610629.db2.gz WZKKNTNUTNRGAP-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC001322534839 1046122935 /nfs/dbraw/zinc/12/29/35/1046122935.db2.gz BNJPECZXADCFHS-UHFFFAOYSA-N 1 3 373.497 2.752 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccco1 ZINC001325323291 1046468856 /nfs/dbraw/zinc/46/88/56/1046468856.db2.gz FGGAERVINFTRHA-IAGOWNOFSA-N 1 3 362.518 2.884 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]CCC(=O)Nc3ccccc3)c2)CC1 ZINC001326599830 1046995952 /nfs/dbraw/zinc/99/59/52/1046995952.db2.gz QPFQORXHLKOMOM-UHFFFAOYSA-N 1 3 366.509 2.552 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3sc(C)nc3C)CCC2)CC[N@@H+]1C ZINC001326822831 1047102420 /nfs/dbraw/zinc/10/24/20/1047102420.db2.gz PQFQXIRSLPGAAI-JKSUJKDBSA-N 1 3 364.559 2.619 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3sc(C)nc3C)CCC2)CC[N@H+]1C ZINC001326822831 1047102426 /nfs/dbraw/zinc/10/24/26/1047102426.db2.gz PQFQXIRSLPGAAI-JKSUJKDBSA-N 1 3 364.559 2.619 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCCC3(CC[NH2+]CC3)C2)c(C)c1 ZINC001327088712 1047184236 /nfs/dbraw/zinc/18/42/36/1047184236.db2.gz AHBNYNYPXFSXOR-QGZVFWFLSA-N 1 3 372.513 2.806 20 0 FFADHO Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CC[C@H](CC[NH3+])C2)cs1 ZINC001334337434 1049378268 /nfs/dbraw/zinc/37/82/68/1049378268.db2.gz JMXOSDIQUIBCOG-HNNXBMFYSA-N 1 3 370.522 2.678 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)C1)N(C)C ZINC001316654988 1049680286 /nfs/dbraw/zinc/68/02/86/1049680286.db2.gz KRAKKJSXAIRYEL-BMGDILEWSA-N 1 3 365.493 2.549 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC001295882358 1049996306 /nfs/dbraw/zinc/99/63/06/1049996306.db2.gz RPQZJVJONSDSSM-UHFFFAOYSA-N 1 3 373.541 2.950 20 0 FFADHO CC[NH+]1CCC(CCn2c(C)nnc2N2CCN(C3CCCC3)CC2)CC1 ZINC001296020680 1050012915 /nfs/dbraw/zinc/01/29/15/1050012915.db2.gz AFPCYKZVFVXCOW-UHFFFAOYSA-N 1 3 374.577 2.773 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NCc2cc(C3CC3)no2)C1)[NH+](C)C ZINC001316659751 1050038319 /nfs/dbraw/zinc/03/83/19/1050038319.db2.gz ADWIOOZFRTVMIZ-ZSZQSSIHSA-N 1 3 362.518 2.513 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3[NH2+]CC34CCCC4)c2)CC1 ZINC001339767720 1050187150 /nfs/dbraw/zinc/18/71/50/1050187150.db2.gz ITOBOTZNMLCCDU-IBGZPJMESA-N 1 3 356.514 2.688 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)C2(C(F)(F)F)CC[NH2+]CC2)N(C)C)cc1 ZINC001341569423 1050196374 /nfs/dbraw/zinc/19/63/74/1050196374.db2.gz OGVSOCRMKQDWAL-OAHLLOKOSA-N 1 3 357.420 2.646 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001341639212 1050265750 /nfs/dbraw/zinc/26/57/50/1050265750.db2.gz ZTMGJZNTHQUHAL-ZWKOTPCHSA-N 1 3 357.498 2.621 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC001302316512 1051078737 /nfs/dbraw/zinc/07/87/37/1051078737.db2.gz FGPWLVANORSGSJ-UHFFFAOYSA-N 1 3 361.534 2.674 20 0 FFADHO [NH3+][C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1C(F)(F)F ZINC001341074525 1051418383 /nfs/dbraw/zinc/41/83/83/1051418383.db2.gz NWSJUENABTXLFM-CVEARBPZSA-N 1 3 355.404 2.634 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC001303801675 1051450409 /nfs/dbraw/zinc/45/04/09/1051450409.db2.gz PPSFOQZERQXVGC-UWWQBHOKSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001303801675 1051450415 /nfs/dbraw/zinc/45/04/15/1051450415.db2.gz PPSFOQZERQXVGC-UWWQBHOKSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC001303801675 1051450420 /nfs/dbraw/zinc/45/04/20/1051450420.db2.gz PPSFOQZERQXVGC-UWWQBHOKSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC001303801675 1051450427 /nfs/dbraw/zinc/45/04/27/1051450427.db2.gz PPSFOQZERQXVGC-UWWQBHOKSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCCC1 ZINC001342984824 1051601116 /nfs/dbraw/zinc/60/11/16/1051601116.db2.gz ROMDAFDVEHZNPV-BLIXFSHQSA-N 1 3 357.498 2.623 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306339462 1052100427 /nfs/dbraw/zinc/10/04/27/1052100427.db2.gz NVLMUKPSBIXUGH-VQTJNVASSA-N 1 3 364.493 2.689 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)CCCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC001343396413 1052204629 /nfs/dbraw/zinc/20/46/29/1052204629.db2.gz YMQOBDLKHHTXDE-HDICACEKSA-N 1 3 353.551 2.552 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@H](CCCC[NH3+])c3ccc(F)cc3F)C2)cn1 ZINC001345097171 1052255621 /nfs/dbraw/zinc/25/56/21/1052255621.db2.gz HPNGUGVAJCNAFE-DNVCBOLYSA-N 1 3 363.456 2.737 20 0 FFADHO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001307927614 1052367708 /nfs/dbraw/zinc/36/77/08/1052367708.db2.gz CQMMSEAVAKRRKC-YLJYHZDGSA-N 1 3 364.965 2.877 20 0 FFADHO C[C@@H]1[C@H](N(C)C)CC[N@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001307927614 1052367711 /nfs/dbraw/zinc/36/77/11/1052367711.db2.gz CQMMSEAVAKRRKC-YLJYHZDGSA-N 1 3 364.965 2.877 20 0 FFADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1SC ZINC001308331979 1052447203 /nfs/dbraw/zinc/44/72/03/1052447203.db2.gz YOSWHPDUNBZNJX-IRXDYDNUSA-N 1 3 350.528 2.885 20 0 FFADHO CC(C)(C)[C@@]1(C[N@@H+]2CC[C@@H](NC(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001308604526 1052476420 /nfs/dbraw/zinc/47/64/20/1052476420.db2.gz ZLLANHUCCNWLTH-WIYYLYMNSA-N 1 3 358.530 2.667 20 0 FFADHO CC(C)(C)[C@@]1(C[N@H+]2CC[C@@H](NC(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001308604526 1052476425 /nfs/dbraw/zinc/47/64/25/1052476425.db2.gz ZLLANHUCCNWLTH-WIYYLYMNSA-N 1 3 358.530 2.667 20 0 FFADHO CCOC(=O)c1ccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)o1 ZINC001308742406 1052493969 /nfs/dbraw/zinc/49/39/69/1052493969.db2.gz DGFNWJNGYQHJTA-UHFFFAOYSA-N 1 3 350.459 2.579 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC[C@@H](Cc4ccccc4)C3=O)C[C@H]2C1 ZINC001335251887 1053270703 /nfs/dbraw/zinc/27/07/03/1053270703.db2.gz GGWCKWNUNHMWRM-DOIPELPJSA-N 1 3 355.526 2.697 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC[C@H](Cc4ccccc4)C3=O)C[C@@H]2C1 ZINC001335251889 1053270799 /nfs/dbraw/zinc/27/07/99/1053270799.db2.gz GGWCKWNUNHMWRM-MXEMCNAFSA-N 1 3 355.526 2.697 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001346763273 1053290866 /nfs/dbraw/zinc/29/08/66/1053290866.db2.gz LFOSCZGMGDBPDS-GOSISDBHSA-N 1 3 360.502 2.636 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)CC2)CC1 ZINC001347832997 1054364633 /nfs/dbraw/zinc/36/46/33/1054364633.db2.gz LEQLPMOWBQKRBB-NXHRZFHOSA-N 1 3 369.500 2.733 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001349517278 1055310486 /nfs/dbraw/zinc/31/04/86/1055310486.db2.gz HRDPXCKIGLFVHG-SESVDKBCSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001349517278 1055310496 /nfs/dbraw/zinc/31/04/96/1055310496.db2.gz HRDPXCKIGLFVHG-SESVDKBCSA-N 1 3 370.541 2.633 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OCc1ccccc1 ZINC000849052154 1055600472 /nfs/dbraw/zinc/60/04/72/1055600472.db2.gz GQLNNFPJXRIJJP-LJQANCHMSA-N 1 3 367.497 2.759 20 0 FFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCCNC2 ZINC001357428987 1055902056 /nfs/dbraw/zinc/90/20/56/1055902056.db2.gz UKHGKLRGGLYTJI-UHFFFAOYSA-N 1 3 357.498 2.696 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001357518325 1055931106 /nfs/dbraw/zinc/93/11/06/1055931106.db2.gz VCTNXOVLFNIEKV-GDBMZVCRSA-N 1 3 369.431 2.555 20 0 FFADHO Cc1cccc([C@H](O)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849097273 1056757199 /nfs/dbraw/zinc/75/71/99/1056757199.db2.gz LERBULKEPHNDMO-OAQYLSRUSA-N 1 3 366.509 2.807 20 0 FFADHO [NH2+]=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)N1CCC1 ZINC000849110228 1056765053 /nfs/dbraw/zinc/76/50/53/1056765053.db2.gz BYSXWZGUWIPWBU-UHFFFAOYSA-N 1 3 363.509 2.739 20 0 FFADHO S=C(NCCN1CCCCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001200438239 1058177238 /nfs/dbraw/zinc/17/72/38/1058177238.db2.gz VRQAUEBYZCYQKT-HXUWFJFHSA-N 1 3 374.598 2.849 20 0 FFADHO S=C(NCCN1CCCCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001200438239 1058177243 /nfs/dbraw/zinc/17/72/43/1058177243.db2.gz VRQAUEBYZCYQKT-HXUWFJFHSA-N 1 3 374.598 2.849 20 0 FFADHO S=C(NCCN1CCCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001200446182 1058213426 /nfs/dbraw/zinc/21/34/26/1058213426.db2.gz JRRZYCAGKXEWRU-UHFFFAOYSA-N 1 3 366.619 2.981 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCn1c(C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001546645859 1071850671 /nfs/dbraw/zinc/85/06/71/1071850671.db2.gz UWJVTEJDBOQZII-SFHVURJKSA-N 1 3 362.566 2.772 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCn1c(C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001546645859 1071850674 /nfs/dbraw/zinc/85/06/74/1071850674.db2.gz UWJVTEJDBOQZII-SFHVURJKSA-N 1 3 362.566 2.772 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCc2cnc(C)s2)C2CC2)CC[N@@H+]1C ZINC001507014621 1059590446 /nfs/dbraw/zinc/59/04/46/1059590446.db2.gz ZQUAFDZMYRACRS-KSZLIROESA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCc2cnc(C)s2)C2CC2)CC[N@H+]1C ZINC001507014621 1059590463 /nfs/dbraw/zinc/59/04/63/1059590463.db2.gz ZQUAFDZMYRACRS-KSZLIROESA-N 1 3 364.559 2.508 20 0 FFADHO CCCN(C(=O)COC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC001355451235 1060251658 /nfs/dbraw/zinc/25/16/58/1060251658.db2.gz IEMDMJRYHKGIKM-UHFFFAOYSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C[N@@H+]2C1 ZINC001521238252 1060484123 /nfs/dbraw/zinc/48/41/23/1060484123.db2.gz WLQNYGSCPHXLHF-YVWKXTFCSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C[N@H+]2C1 ZINC001521238252 1060484128 /nfs/dbraw/zinc/48/41/28/1060484128.db2.gz WLQNYGSCPHXLHF-YVWKXTFCSA-N 1 3 371.525 2.702 20 0 FFADHO O=C(NCCN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC001460315509 1060962055 /nfs/dbraw/zinc/96/20/55/1060962055.db2.gz SBTUCNRRBLBBCN-UHFFFAOYSA-N 1 3 355.526 2.891 20 0 FFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC001477928073 1061840282 /nfs/dbraw/zinc/84/02/82/1061840282.db2.gz RQAOUWVBWHCZCS-XUVXKRRUSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1C[C@@H]2CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC001477928073 1061840294 /nfs/dbraw/zinc/84/02/94/1061840294.db2.gz RQAOUWVBWHCZCS-XUVXKRRUSA-N 1 3 356.514 2.559 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC001479157723 1062257075 /nfs/dbraw/zinc/25/70/75/1062257075.db2.gz VJXXNEBQGGHUBI-VQTJNVASSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)C2)cc1 ZINC001479157723 1062257098 /nfs/dbraw/zinc/25/70/98/1062257098.db2.gz VJXXNEBQGGHUBI-VQTJNVASSA-N 1 3 358.530 2.693 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(C(F)(F)F)cc1 ZINC001492957050 1062276042 /nfs/dbraw/zinc/27/60/42/1062276042.db2.gz QTDHRXXMMHDLLC-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(C(F)(F)F)cc1 ZINC001492957050 1062276052 /nfs/dbraw/zinc/27/60/52/1062276052.db2.gz QTDHRXXMMHDLLC-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001479475983 1062451555 /nfs/dbraw/zinc/45/15/55/1062451555.db2.gz OENODMHDYRVION-SQGPQFPESA-N 1 3 353.526 2.874 20 0 FFADHO Cc1nc(C)c(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C(C)C)s1 ZINC001479587013 1062589327 /nfs/dbraw/zinc/58/93/27/1062589327.db2.gz WCTGUKZTOUKSLR-PBHICJAKSA-N 1 3 366.575 2.817 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001468023904 1063912069 /nfs/dbraw/zinc/91/20/69/1063912069.db2.gz NWRDDQMQABONJA-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001468023904 1063912082 /nfs/dbraw/zinc/91/20/82/1063912082.db2.gz NWRDDQMQABONJA-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001470410720 1064327808 /nfs/dbraw/zinc/32/78/08/1064327808.db2.gz ZEAQXPSNRLRJFB-ICSRJNTNSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001470410720 1064327818 /nfs/dbraw/zinc/32/78/18/1064327818.db2.gz ZEAQXPSNRLRJFB-ICSRJNTNSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001576095234 1078194758 /nfs/dbraw/zinc/19/47/58/1078194758.db2.gz CQRAXYDZNQAQPI-ROUUACIJSA-N 1 3 358.530 2.952 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001576693209 1078261307 /nfs/dbraw/zinc/26/13/07/1078261307.db2.gz BJIYAPZSLLQBTA-YLJYHZDGSA-N 1 3 358.530 2.655 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001576693209 1078261309 /nfs/dbraw/zinc/26/13/09/1078261309.db2.gz BJIYAPZSLLQBTA-YLJYHZDGSA-N 1 3 358.530 2.655 20 0 FFADHO CCN(CC)[C@H](Cn1c(C2CCC2)nnc1N1CC[NH2+]CC1)c1ccco1 ZINC001577684783 1078387777 /nfs/dbraw/zinc/38/77/77/1078387777.db2.gz KIEPUIYUVYXLBA-QGZVFWFLSA-N 1 3 372.517 2.631 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3(C[NH3+])CCCCC3)cc2)CC1 ZINC001577778121 1078400109 /nfs/dbraw/zinc/40/01/09/1078400109.db2.gz GCGSRGMANPLVRD-UHFFFAOYSA-N 1 3 359.518 2.612 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001578416986 1078471576 /nfs/dbraw/zinc/47/15/76/1078471576.db2.gz JGVNQGSCGMREIJ-IFMALSPDSA-N 1 3 372.557 2.725 20 0 FFADHO C[N@H+](CCN(Cc1ccccc1)C[C@H]1CNCCO1)Cc1ccccc1 ZINC001578469720 1078478272 /nfs/dbraw/zinc/47/82/72/1078478272.db2.gz ADAJYRQAQLGYDE-JOCHJYFZSA-N 1 3 353.510 2.609 20 0 FFADHO C[N@@H+](CCN(Cc1ccccc1)C[C@H]1CNCCO1)Cc1ccccc1 ZINC001578469720 1078478275 /nfs/dbraw/zinc/47/82/75/1078478275.db2.gz ADAJYRQAQLGYDE-JOCHJYFZSA-N 1 3 353.510 2.609 20 0 FFADHO Fc1cccc(N2CCC[C@@H](NCc3ccc(N4CC[NH2+]CC4)o3)C2)c1 ZINC001580034766 1078734177 /nfs/dbraw/zinc/73/41/77/1078734177.db2.gz PRUODXREDSTWNL-QGZVFWFLSA-N 1 3 358.461 2.587 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)C1 ZINC001580198061 1078763752 /nfs/dbraw/zinc/76/37/52/1078763752.db2.gz BZFZFDCVOXWREO-NQIIRXRSSA-N 1 3 352.482 2.862 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001550266992 1074193471 /nfs/dbraw/zinc/19/34/71/1074193471.db2.gz BYUWWXJXWAJCGX-PKOBYXMFSA-N 1 3 356.514 2.628 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(Cl)c(F)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423400 1074263025 /nfs/dbraw/zinc/26/30/25/1074263025.db2.gz MMSQHZAWEBSERY-CVYDXHPNSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(Cl)c(F)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423400 1074263026 /nfs/dbraw/zinc/26/30/26/1074263026.db2.gz MMSQHZAWEBSERY-CVYDXHPNSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnn(-c4ccccc4)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423354 1074263115 /nfs/dbraw/zinc/26/31/15/1074263115.db2.gz MALHVIJKGNOLJO-MLNNCEHLSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnn(-c4ccccc4)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423354 1074263118 /nfs/dbraw/zinc/26/31/18/1074263118.db2.gz MALHVIJKGNOLJO-MLNNCEHLSA-N 1 3 368.525 2.832 20 0 FFADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cccc(-n2cnnc2)c1 ZINC001551401211 1074718796 /nfs/dbraw/zinc/71/87/96/1074718796.db2.gz QWDMGPCBDXSMBU-OCDPCBSRSA-N 1 3 369.513 2.951 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3C[C@@H]([NH+](C)C)C3(C)C)cc2)CC1 ZINC001557153886 1075815549 /nfs/dbraw/zinc/81/55/49/1075815549.db2.gz CWDFWZCZLIAGDJ-WOJBJXKFSA-N 1 3 372.557 2.676 20 0 FFADHO COCC[C@H](CNCCC[NH+]1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001560251663 1076256715 /nfs/dbraw/zinc/25/67/15/1076256715.db2.gz YWLMZWJOXUAPHO-QGZVFWFLSA-N 1 3 357.539 2.628 20 0 FFADHO COCC[C@H](C[NH2+]CCCN1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001560251663 1076256717 /nfs/dbraw/zinc/25/67/17/1076256717.db2.gz YWLMZWJOXUAPHO-QGZVFWFLSA-N 1 3 357.539 2.628 20 0 FFADHO Cc1nccn1CCC[NH2+]Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001560275015 1076259568 /nfs/dbraw/zinc/25/95/68/1076259568.db2.gz WCDIFGZSSUCFTF-UHFFFAOYSA-N 1 3 366.412 2.755 20 0 FFADHO CC1CCC2(CC1)OC[C@@H](C[NH2+]C1CCC(C)(N3CCOCC3)CC1)O2 ZINC001560710186 1076293055 /nfs/dbraw/zinc/29/30/55/1076293055.db2.gz BNAGEBQQLWSCFI-PSTSCRTLSA-N 1 3 366.546 2.931 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC001564009486 1076599376 /nfs/dbraw/zinc/59/93/76/1076599376.db2.gz DTPSKWAOIUDHDM-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CN1Cc1ccccc1 ZINC001564316914 1076625027 /nfs/dbraw/zinc/62/50/27/1076625027.db2.gz MTHVURRIWRBINH-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CN1Cc1ccccc1 ZINC001564316914 1076625028 /nfs/dbraw/zinc/62/50/28/1076625028.db2.gz MTHVURRIWRBINH-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1c1ccccc1 ZINC001565882565 1076776592 /nfs/dbraw/zinc/77/65/92/1076776592.db2.gz CUUBGHAAHWDBNQ-SLFFLAALSA-N 1 3 363.521 2.907 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1c1ccccc1 ZINC001565882565 1076776595 /nfs/dbraw/zinc/77/65/95/1076776595.db2.gz CUUBGHAAHWDBNQ-SLFFLAALSA-N 1 3 363.521 2.907 20 0 FFADHO COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001566100962 1076905001 /nfs/dbraw/zinc/90/50/01/1076905001.db2.gz RBHIYPQCHNPFSU-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO COCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001566100962 1076905003 /nfs/dbraw/zinc/90/50/03/1076905003.db2.gz RBHIYPQCHNPFSU-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO CN(CCCN(C)C(=O)c1cccc(CC[NH+](C)C)c1)Cc1ccco1 ZINC001568806579 1077113022 /nfs/dbraw/zinc/11/30/22/1077113022.db2.gz VOTWTHDNCLQQRS-UHFFFAOYSA-N 1 3 357.498 2.978 20 0 FFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422855885 513952854 /nfs/dbraw/zinc/95/28/54/513952854.db2.gz DCINWDFUFZAVHN-ZBFHGGJFSA-N 1 3 368.319 2.676 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000267397918 251344743 /nfs/dbraw/zinc/34/47/43/251344743.db2.gz YBUBTKBJUMYFBI-DYESRHJHSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000267397918 251344746 /nfs/dbraw/zinc/34/47/46/251344746.db2.gz YBUBTKBJUMYFBI-DYESRHJHSA-N 1 3 370.541 2.823 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268825068 251395625 /nfs/dbraw/zinc/39/56/25/251395625.db2.gz PDCZZPXGQHKPRZ-LJQANCHMSA-N 1 3 355.530 2.941 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Cc4ccc(F)cc4)CC3)CC2)CC1 ZINC000275819309 256051472 /nfs/dbraw/zinc/05/14/72/256051472.db2.gz QVJNUTCMMLISRJ-UHFFFAOYSA-N 1 3 373.516 2.823 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OCCN(C)C)cc3)CC2)n[nH]1 ZINC000275941797 256060779 /nfs/dbraw/zinc/06/07/79/256060779.db2.gz SQRATTBEGVCLGD-QGZVFWFLSA-N 1 3 371.529 2.978 20 0 FFADHO Cc1cnc(Cl)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000276176387 256078636 /nfs/dbraw/zinc/07/86/36/256078636.db2.gz JZXFGZUHDPZTRF-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000276272492 256085867 /nfs/dbraw/zinc/08/58/67/256085867.db2.gz SIGMPURQMJDIPR-ZWKOTPCHSA-N 1 3 358.530 2.842 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000276272492 256085869 /nfs/dbraw/zinc/08/58/69/256085869.db2.gz SIGMPURQMJDIPR-ZWKOTPCHSA-N 1 3 358.530 2.842 20 0 FFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000277276591 256179230 /nfs/dbraw/zinc/17/92/30/256179230.db2.gz RYTAJYJPOSPUND-SFHVURJKSA-N 1 3 372.513 2.558 20 0 FFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000277276591 256179231 /nfs/dbraw/zinc/17/92/31/256179231.db2.gz RYTAJYJPOSPUND-SFHVURJKSA-N 1 3 372.513 2.558 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278465238 256315734 /nfs/dbraw/zinc/31/57/34/256315734.db2.gz JKBOGFYDSBTIFB-KCZVDYSFSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@@H]3CC[NH3+])cc2)CC1 ZINC000285874847 257009090 /nfs/dbraw/zinc/00/90/90/257009090.db2.gz BRDQYWBXIVOLBH-HXUWFJFHSA-N 1 3 358.530 2.561 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000286035687 257017118 /nfs/dbraw/zinc/01/71/18/257017118.db2.gz KOKKZRMCSWBRMZ-ZBFHGGJFSA-N 1 3 357.420 2.723 20 0 FFADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000286556964 257042815 /nfs/dbraw/zinc/04/28/15/257042815.db2.gz XOQXYFNBMYPMKJ-SFTDATJTSA-N 1 3 371.525 2.608 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000286582656 257044150 /nfs/dbraw/zinc/04/41/50/257044150.db2.gz WREIHMPYVVKVJQ-IFMALSPDSA-N 1 3 356.558 2.615 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000286582656 257044151 /nfs/dbraw/zinc/04/41/51/257044151.db2.gz WREIHMPYVVKVJQ-IFMALSPDSA-N 1 3 356.558 2.615 20 0 FFADHO c1ccc(N2CCN(CCCN3CC[C@H]([NH+]4CCCCC4)C3)CC2)cc1 ZINC000286409528 257035678 /nfs/dbraw/zinc/03/56/78/257035678.db2.gz LUBLDYVCXWSXQR-QFIPXVFZSA-N 1 3 356.558 2.759 20 0 FFADHO c1ccc(N2CCN(CCC[N@@H+]3CC[C@H](N4CCCCC4)C3)CC2)cc1 ZINC000286409528 257035679 /nfs/dbraw/zinc/03/56/79/257035679.db2.gz LUBLDYVCXWSXQR-QFIPXVFZSA-N 1 3 356.558 2.759 20 0 FFADHO c1ccc(N2CCN(CCC[N@H+]3CC[C@H](N4CCCCC4)C3)CC2)cc1 ZINC000286409528 257035680 /nfs/dbraw/zinc/03/56/80/257035680.db2.gz LUBLDYVCXWSXQR-QFIPXVFZSA-N 1 3 356.558 2.759 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000287870775 257123644 /nfs/dbraw/zinc/12/36/44/257123644.db2.gz ARZBSHPDSPFWAW-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000288291990 257171628 /nfs/dbraw/zinc/17/16/28/257171628.db2.gz XNJUWTYUNDUFIS-BWPNAZKDSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000288291990 257171631 /nfs/dbraw/zinc/17/16/31/257171631.db2.gz XNJUWTYUNDUFIS-BWPNAZKDSA-N 1 3 358.530 2.774 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000289471791 257282906 /nfs/dbraw/zinc/28/29/06/257282906.db2.gz POUFIQVPJDAQHJ-UHFFFAOYSA-N 1 3 373.520 2.528 20 0 FFADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCOC(C)(C)C1 ZINC000290009560 257311243 /nfs/dbraw/zinc/31/12/43/257311243.db2.gz ZPBQKRBBTQWBKU-OALUTQOASA-N 1 3 361.530 2.685 20 0 FFADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCOC(C)(C)C1 ZINC000290009560 257311244 /nfs/dbraw/zinc/31/12/44/257311244.db2.gz ZPBQKRBBTQWBKU-OALUTQOASA-N 1 3 361.530 2.685 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)nc1 ZINC000290747826 257355649 /nfs/dbraw/zinc/35/56/49/257355649.db2.gz QNWIIZCFTMOERS-MAZHCROVSA-N 1 3 368.319 2.873 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CCC([NH+]2CCCCC2)CC1 ZINC000333241701 258257781 /nfs/dbraw/zinc/25/77/81/258257781.db2.gz BEMNSKYKXYDNKA-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO CCc1ccccc1OCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377127654 512134712 /nfs/dbraw/zinc/13/47/12/512134712.db2.gz NHYWUKWFSRHDOO-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000373083236 512164614 /nfs/dbraw/zinc/16/46/14/512164614.db2.gz FTBCOBULKYGMHD-LJQANCHMSA-N 1 3 356.514 2.740 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCCN(C)CC1 ZINC000410392567 512252061 /nfs/dbraw/zinc/25/20/61/512252061.db2.gz LHNPRSHTZXAFDC-GOSISDBHSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCN(C)CC1 ZINC000410392567 512252066 /nfs/dbraw/zinc/25/20/66/512252066.db2.gz LHNPRSHTZXAFDC-GOSISDBHSA-N 1 3 358.530 2.908 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000066191613 506444568 /nfs/dbraw/zinc/44/45/68/506444568.db2.gz ORQDENYXNIPGNX-FQEVSTJZSA-N 1 3 362.562 2.911 20 0 FFADHO COc1cc2c(cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)O[C@@H](C)C2 ZINC000067452754 506886255 /nfs/dbraw/zinc/88/62/55/506886255.db2.gz DUQONAQHFHSGFA-YESZJQIVSA-N 1 3 362.514 2.998 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000373393087 512308362 /nfs/dbraw/zinc/30/83/62/512308362.db2.gz ZUUAZNVVQVAZIJ-SOAGJPPSSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000067704863 506981393 /nfs/dbraw/zinc/98/13/93/506981393.db2.gz UYGPAQHJULYTOB-VQTJNVASSA-N 1 3 358.530 2.868 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000056794326 507095678 /nfs/dbraw/zinc/09/56/78/507095678.db2.gz IICKLKMSAWGMQX-UHFFFAOYSA-N 1 3 364.509 2.772 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](Nc3ncnc4sc5c(c43)CCC5)C2)CC1 ZINC000369268092 512320386 /nfs/dbraw/zinc/32/03/86/512320386.db2.gz RPZYISRINHPDEX-CYBMUJFWSA-N 1 3 357.527 2.760 20 0 FFADHO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000057703597 507309657 /nfs/dbraw/zinc/30/96/57/507309657.db2.gz HFBSWRQKXDQEMM-LJQANCHMSA-N 1 3 356.514 2.577 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000068777775 507321866 /nfs/dbraw/zinc/32/18/66/507321866.db2.gz SOHKLKNQWIXEGX-UHFFFAOYSA-N 1 3 361.530 2.964 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000047965858 507425452 /nfs/dbraw/zinc/42/54/52/507425452.db2.gz GAVOMOOWUFHPSO-OAQYLSRUSA-N 1 3 366.509 2.822 20 0 FFADHO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000373467912 512346373 /nfs/dbraw/zinc/34/63/73/512346373.db2.gz TUKRHYVDMOMETR-UHFFFAOYSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000069780332 507558130 /nfs/dbraw/zinc/55/81/30/507558130.db2.gz FMNOYJVHLGXXSG-AZUAARDMSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000069780332 507558135 /nfs/dbraw/zinc/55/81/35/507558135.db2.gz FMNOYJVHLGXXSG-AZUAARDMSA-N 1 3 358.530 2.948 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3csc4c3CCCC4)CC2)CC1 ZINC000050800398 507713996 /nfs/dbraw/zinc/71/39/96/507713996.db2.gz MKVHBGGTKYBTLZ-UHFFFAOYSA-N 1 3 361.555 2.915 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000071923251 507725169 /nfs/dbraw/zinc/72/51/69/507725169.db2.gz MQTBNQKULJYQSY-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000071923251 507725174 /nfs/dbraw/zinc/72/51/74/507725174.db2.gz MQTBNQKULJYQSY-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCN(C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000072044324 507739323 /nfs/dbraw/zinc/73/93/23/507739323.db2.gz JMWGFWZUIHPQRF-HXUWFJFHSA-N 1 3 358.530 2.868 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000063803865 507772195 /nfs/dbraw/zinc/77/21/95/507772195.db2.gz WCRARXPWHZQKFG-LJQANCHMSA-N 1 3 361.530 2.867 20 0 FFADHO CCOc1cc(CNCCN2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000106958597 507831361 /nfs/dbraw/zinc/83/13/61/507831361.db2.gz NZTSCZAEZJHZGO-UHFFFAOYSA-N 1 3 369.509 2.659 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 ZINC000072909255 507872350 /nfs/dbraw/zinc/87/23/50/507872350.db2.gz JUXREBIBNJRWEG-LJQANCHMSA-N 1 3 365.562 2.648 20 0 FFADHO CN(C)[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)Cc1ccccc1 ZINC000078541313 507882061 /nfs/dbraw/zinc/88/20/61/507882061.db2.gz BZDIHQSJCBIRPE-NRFANRHFSA-N 1 3 368.525 2.720 20 0 FFADHO Cc1nc2c(s1)[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000090038639 507903509 /nfs/dbraw/zinc/90/35/09/507903509.db2.gz GDCWFEFVOVOEFD-KRWDZBQOSA-N 1 3 372.538 2.910 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000073415508 507919994 /nfs/dbraw/zinc/91/99/94/507919994.db2.gz IYZMSRWHZKPDRT-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468772 507921912 /nfs/dbraw/zinc/92/19/12/507921912.db2.gz PUEQODXUOWQEDT-FUHIMQAGSA-N 1 3 364.965 2.780 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468772 507921916 /nfs/dbraw/zinc/92/19/16/507921916.db2.gz PUEQODXUOWQEDT-FUHIMQAGSA-N 1 3 364.965 2.780 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCCC1 ZINC000079066228 507930077 /nfs/dbraw/zinc/93/00/77/507930077.db2.gz NXEHLSGSUXWCCO-LJQANCHMSA-N 1 3 350.551 2.813 20 0 FFADHO CN(C)CCOc1cc(C[NH2+]C2CCN(c3ccccc3)CC2)ccn1 ZINC000090937342 507939755 /nfs/dbraw/zinc/93/97/55/507939755.db2.gz UTIKAJBVPATYHL-UHFFFAOYSA-N 1 3 354.498 2.781 20 0 FFADHO CCOc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000073895194 507964863 /nfs/dbraw/zinc/96/48/63/507964863.db2.gz YBPNUUFTRIIEIT-SFHVURJKSA-N 1 3 350.503 2.630 20 0 FFADHO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000073895194 507964865 /nfs/dbraw/zinc/96/48/65/507964865.db2.gz YBPNUUFTRIIEIT-SFHVURJKSA-N 1 3 350.503 2.630 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000073934419 507968962 /nfs/dbraw/zinc/96/89/62/507968962.db2.gz UBDAPGACRFBFNO-DLBZAZTESA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000073934419 507968965 /nfs/dbraw/zinc/96/89/65/507968965.db2.gz UBDAPGACRFBFNO-DLBZAZTESA-N 1 3 364.559 2.744 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233336 507972002 /nfs/dbraw/zinc/97/20/02/507972002.db2.gz XYIZHQGXPZLMOR-IBGZPJMESA-N 1 3 373.545 2.814 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233336 507972003 /nfs/dbraw/zinc/97/20/03/507972003.db2.gz XYIZHQGXPZLMOR-IBGZPJMESA-N 1 3 373.545 2.814 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000074099472 507986607 /nfs/dbraw/zinc/98/66/07/507986607.db2.gz ZKNQNKCWUMLZNL-ZWKOTPCHSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000074099472 507986610 /nfs/dbraw/zinc/98/66/10/507986610.db2.gz ZKNQNKCWUMLZNL-ZWKOTPCHSA-N 1 3 358.530 2.775 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000074188214 507996176 /nfs/dbraw/zinc/99/61/76/507996176.db2.gz MIEINIZFLKTJMU-UHFFFAOYSA-N 1 3 372.557 2.824 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1coc2ccccc12 ZINC000074263464 508002768 /nfs/dbraw/zinc/00/27/68/508002768.db2.gz IPXKCVCFYSPBBW-SFHVURJKSA-N 1 3 372.513 2.990 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1coc2ccccc12 ZINC000074263464 508002770 /nfs/dbraw/zinc/00/27/70/508002770.db2.gz IPXKCVCFYSPBBW-SFHVURJKSA-N 1 3 372.513 2.990 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1nccs1 ZINC000074364926 508016535 /nfs/dbraw/zinc/01/65/35/508016535.db2.gz BHMRCTDDANQITN-HOTGVXAUSA-N 1 3 367.563 2.652 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1nccs1 ZINC000074364926 508016538 /nfs/dbraw/zinc/01/65/38/508016538.db2.gz BHMRCTDDANQITN-HOTGVXAUSA-N 1 3 367.563 2.652 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000079985253 508023370 /nfs/dbraw/zinc/02/33/70/508023370.db2.gz QNXZXHGENYOQAK-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1CCCCCC1 ZINC000074530009 508032506 /nfs/dbraw/zinc/03/25/06/508032506.db2.gz BCUXFHBBEHJHNO-INIZCTEOSA-N 1 3 360.502 2.780 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080063495 508033204 /nfs/dbraw/zinc/03/32/04/508033204.db2.gz CPEJLGJMRLPXCY-XLIONFOSSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080063495 508033208 /nfs/dbraw/zinc/03/32/08/508033208.db2.gz CPEJLGJMRLPXCY-XLIONFOSSA-N 1 3 370.541 2.966 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)COC2 ZINC000092162899 508047364 /nfs/dbraw/zinc/04/73/64/508047364.db2.gz JWYPHWDILLJNKC-IBGZPJMESA-N 1 3 360.502 2.597 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)COC2 ZINC000092162899 508047366 /nfs/dbraw/zinc/04/73/66/508047366.db2.gz JWYPHWDILLJNKC-IBGZPJMESA-N 1 3 360.502 2.597 20 0 FFADHO CN(C)[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)Cc1ccccc1 ZINC000080207263 508051317 /nfs/dbraw/zinc/05/13/17/508051317.db2.gz IYKDFSVUKOJDGH-IBGZPJMESA-N 1 3 369.509 2.530 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000074833270 508059482 /nfs/dbraw/zinc/05/94/82/508059482.db2.gz HJBYQPXYOAXQTE-NHCUHLMSSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000074833270 508059485 /nfs/dbraw/zinc/05/94/85/508059485.db2.gz HJBYQPXYOAXQTE-NHCUHLMSSA-N 1 3 370.541 2.634 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000080461487 508075546 /nfs/dbraw/zinc/07/55/46/508075546.db2.gz VDEHIDVIQKXIRZ-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO CCc1nn(C)c(CC)c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587616 508085087 /nfs/dbraw/zinc/08/50/87/508085087.db2.gz NXWAGLITLKQTIK-CALCHBBNSA-N 1 3 362.562 2.866 20 0 FFADHO CCc1nn(C)c(CC)c1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587616 508085090 /nfs/dbraw/zinc/08/50/90/508085090.db2.gz NXWAGLITLKQTIK-CALCHBBNSA-N 1 3 362.562 2.866 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000080670884 508093555 /nfs/dbraw/zinc/09/35/55/508093555.db2.gz SBYGCVHXEFOFGQ-PZJWPPBQSA-N 1 3 372.557 2.971 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000080670884 508093557 /nfs/dbraw/zinc/09/35/57/508093557.db2.gz SBYGCVHXEFOFGQ-PZJWPPBQSA-N 1 3 372.557 2.971 20 0 FFADHO CC(C)[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000371402188 512378645 /nfs/dbraw/zinc/37/86/45/512378645.db2.gz VHZQJNGISRUQCA-OXQOHEQNSA-N 1 3 372.513 2.989 20 0 FFADHO CC[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)N1CCc2ccccc2C1 ZINC000111817264 508126030 /nfs/dbraw/zinc/12/60/30/508126030.db2.gz ZZJQLVHQYOAYAX-OAQYLSRUSA-N 1 3 372.557 2.995 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000085391161 508305948 /nfs/dbraw/zinc/30/59/48/508305948.db2.gz QFLSGBGHLIRFLB-ZSYWTGECSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000085391161 508305951 /nfs/dbraw/zinc/30/59/51/508305951.db2.gz QFLSGBGHLIRFLB-ZSYWTGECSA-N 1 3 352.567 2.726 20 0 FFADHO CC1(C)CC(NC(=O)N2CCC[C@@H]2CN2CCCCC2)CC(C)(C)[NH2+]1 ZINC000105070741 508359623 /nfs/dbraw/zinc/35/96/23/508359623.db2.gz ZEADYJVXRFSMIH-QGZVFWFLSA-N 1 3 350.551 2.956 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077774634 508371354 /nfs/dbraw/zinc/37/13/54/508371354.db2.gz XPMNQBZQPVJNDR-WOJBJXKFSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077774634 508371356 /nfs/dbraw/zinc/37/13/56/508371356.db2.gz XPMNQBZQPVJNDR-WOJBJXKFSA-N 1 3 356.514 2.703 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000077789665 508375088 /nfs/dbraw/zinc/37/50/88/508375088.db2.gz VDHAJJQSFNJTRU-SFHVURJKSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000077824865 508380726 /nfs/dbraw/zinc/38/07/26/508380726.db2.gz QHRAMZOJRODSSW-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000077824865 508380728 /nfs/dbraw/zinc/38/07/28/508380728.db2.gz QHRAMZOJRODSSW-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCc4ccccc43)CC2)CC1 ZINC000115351976 508387027 /nfs/dbraw/zinc/38/70/27/508387027.db2.gz OUZAFSIKCNUVQD-GOSISDBHSA-N 1 3 355.526 2.781 20 0 FFADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)NC(=O)Nc1ccccc1 ZINC000127162820 508408407 /nfs/dbraw/zinc/40/84/07/508408407.db2.gz AHLGKGGCXCRZPU-UHFFFAOYSA-N 1 3 358.486 2.533 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115794778 508438210 /nfs/dbraw/zinc/43/82/10/508438210.db2.gz MGZNCUFRXZBUFM-IBGZPJMESA-N 1 3 372.557 2.943 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115794778 508438212 /nfs/dbraw/zinc/43/82/12/508438212.db2.gz MGZNCUFRXZBUFM-IBGZPJMESA-N 1 3 372.557 2.943 20 0 FFADHO Cc1nccn1CCCN1CCC[C@@H]([N@H+](C)CCCn2ccnc2C)CC1 ZINC000127612340 508476108 /nfs/dbraw/zinc/47/61/08/508476108.db2.gz AUBZZTVTUORRLA-OAQYLSRUSA-N 1 3 372.561 2.963 20 0 FFADHO Cc1nccn1CCCN1CCC[C@@H]([N@@H+](C)CCCn2ccnc2C)CC1 ZINC000127612340 508476113 /nfs/dbraw/zinc/47/61/13/508476113.db2.gz AUBZZTVTUORRLA-OAQYLSRUSA-N 1 3 372.561 2.963 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000116561058 508530190 /nfs/dbraw/zinc/53/01/90/508530190.db2.gz GDWIMEGOVFGLKJ-DYESRHJHSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000116561058 508530193 /nfs/dbraw/zinc/53/01/93/508530193.db2.gz GDWIMEGOVFGLKJ-DYESRHJHSA-N 1 3 370.541 2.996 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000157932289 508634446 /nfs/dbraw/zinc/63/44/46/508634446.db2.gz IKPDMBGZGYQKHH-IRXDYDNUSA-N 1 3 367.559 2.757 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000157932289 508634449 /nfs/dbraw/zinc/63/44/49/508634449.db2.gz IKPDMBGZGYQKHH-IRXDYDNUSA-N 1 3 367.559 2.757 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C[N@@H+]1C1CC1 ZINC000128732375 508636460 /nfs/dbraw/zinc/63/64/60/508636460.db2.gz OWQYDOWKHAXIJP-INMHGKMJSA-N 1 3 362.543 2.809 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C[N@H+]1C1CC1 ZINC000128732375 508636462 /nfs/dbraw/zinc/63/64/62/508636462.db2.gz OWQYDOWKHAXIJP-INMHGKMJSA-N 1 3 362.543 2.809 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843059 508683484 /nfs/dbraw/zinc/68/34/84/508683484.db2.gz HAFJRIVTTJDKSO-CQSZACIVSA-N 1 3 353.894 2.951 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843059 508683487 /nfs/dbraw/zinc/68/34/87/508683487.db2.gz HAFJRIVTTJDKSO-CQSZACIVSA-N 1 3 353.894 2.951 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@@H]21 ZINC000153972597 508689491 /nfs/dbraw/zinc/68/94/91/508689491.db2.gz GJIGWHFRTMCJAV-SBHAEUEKSA-N 1 3 373.516 2.980 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@@H]21 ZINC000153972597 508689495 /nfs/dbraw/zinc/68/94/95/508689495.db2.gz GJIGWHFRTMCJAV-SBHAEUEKSA-N 1 3 373.516 2.980 20 0 FFADHO C[C@H]1CN(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000375595722 512412552 /nfs/dbraw/zinc/41/25/52/512412552.db2.gz FUBBAMFZKKNTHX-FQEVSTJZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1CN(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000375595722 512412554 /nfs/dbraw/zinc/41/25/54/512412554.db2.gz FUBBAMFZKKNTHX-FQEVSTJZSA-N 1 3 357.542 2.695 20 0 FFADHO CC[C@@H](CN[C@H](C)CC(=O)Nc1cc(OC)ccc1OC)[NH+]1CCCC1 ZINC000119284851 508764570 /nfs/dbraw/zinc/76/45/70/508764570.db2.gz WRWQIYZRZJFJRF-CVEARBPZSA-N 1 3 363.502 2.885 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N2CCCC2)cc1 ZINC000129784980 508766335 /nfs/dbraw/zinc/76/63/35/508766335.db2.gz GDJPMBPVXOWANR-AZUAARDMSA-N 1 3 358.530 2.725 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000119610607 508828143 /nfs/dbraw/zinc/82/81/43/508828143.db2.gz IZUHFCCEBTXCRE-CTNGQTDRSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](NCc1ccc(NC(N)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000130893057 508861790 /nfs/dbraw/zinc/86/17/90/508861790.db2.gz CATBEXQNSWBWLE-OAHLLOKOSA-N 1 3 356.470 2.968 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000131099978 508886647 /nfs/dbraw/zinc/88/66/47/508886647.db2.gz GXGUNZPRKJBFOH-NQIIRXRSSA-N 1 3 370.541 2.915 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000131099978 508886652 /nfs/dbraw/zinc/88/66/52/508886652.db2.gz GXGUNZPRKJBFOH-NQIIRXRSSA-N 1 3 370.541 2.915 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)N(C)C ZINC000131113730 508888448 /nfs/dbraw/zinc/88/84/48/508888448.db2.gz JYMMTESIDPVTOA-FQEVSTJZSA-N 1 3 358.530 2.743 20 0 FFADHO CC(C)COc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000131461179 508934846 /nfs/dbraw/zinc/93/48/46/508934846.db2.gz ITCABJROPPZBPE-UHFFFAOYSA-N 1 3 350.507 2.679 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155221898 508951510 /nfs/dbraw/zinc/95/15/10/508951510.db2.gz NGRSHBGYOLWKHT-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000155221898 508951514 /nfs/dbraw/zinc/95/15/14/508951514.db2.gz NGRSHBGYOLWKHT-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)c1 ZINC000125324537 508965689 /nfs/dbraw/zinc/96/56/89/508965689.db2.gz ULFDOGPUYMSOHY-RTWAWAEBSA-N 1 3 358.574 2.970 20 0 FFADHO C[C@@H](OC1CCCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151480372 509025599 /nfs/dbraw/zinc/02/55/99/509025599.db2.gz INCDOANNUXLIRI-QGZVFWFLSA-N 1 3 365.562 2.789 20 0 FFADHO CC(=O)NC[C@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000155610871 509037533 /nfs/dbraw/zinc/03/75/33/509037533.db2.gz CRFMTSCXVXPFLD-LJQANCHMSA-N 1 3 372.557 2.565 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000121299761 509164352 /nfs/dbraw/zinc/16/43/52/509164352.db2.gz OPPXNULCYAIUFG-RTBURBONSA-N 1 3 355.530 2.797 20 0 FFADHO C[C@@H](CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000263863807 509193253 /nfs/dbraw/zinc/19/32/53/509193253.db2.gz GWRUGROGEBYUFU-SFHVURJKSA-N 1 3 372.557 2.990 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COCc3ccccc3Cl)CC[C@H]21 ZINC000248043626 509221882 /nfs/dbraw/zinc/22/18/82/509221882.db2.gz UMRWVUZHPRVEML-HHXXYDBFSA-N 1 3 352.906 2.634 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COCc3ccccc3Cl)CC[C@H]21 ZINC000248043626 509221894 /nfs/dbraw/zinc/22/18/94/509221894.db2.gz UMRWVUZHPRVEML-HHXXYDBFSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3Cl)CC[C@H]21 ZINC000248043626 509221899 /nfs/dbraw/zinc/22/18/99/509221899.db2.gz UMRWVUZHPRVEML-HHXXYDBFSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3Cl)CC[C@H]21 ZINC000248043626 509221905 /nfs/dbraw/zinc/22/19/05/509221905.db2.gz UMRWVUZHPRVEML-HHXXYDBFSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248043977 509223415 /nfs/dbraw/zinc/22/34/15/509223415.db2.gz MOBCRQQFTGKBHU-WOJBJXKFSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248043977 509223422 /nfs/dbraw/zinc/22/34/22/509223422.db2.gz MOBCRQQFTGKBHU-WOJBJXKFSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248043977 509223431 /nfs/dbraw/zinc/22/34/31/509223431.db2.gz MOBCRQQFTGKBHU-WOJBJXKFSA-N 1 3 356.514 2.702 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cc1C ZINC000175980551 509253871 /nfs/dbraw/zinc/25/38/71/509253871.db2.gz KIVCXVPDQLVLAP-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cc1C ZINC000175980551 509253877 /nfs/dbraw/zinc/25/38/77/509253877.db2.gz KIVCXVPDQLVLAP-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C[NH+]1CCCCC1 ZINC000179190940 509311528 /nfs/dbraw/zinc/31/15/28/509311528.db2.gz BECUQCZVFJSHIB-YZGWKJHDSA-N 1 3 358.530 2.853 20 0 FFADHO Cn1ncc2c1CCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248440813 509322409 /nfs/dbraw/zinc/32/24/09/509322409.db2.gz JTCVNCWKXISXGG-AZUAARDMSA-N 1 3 354.498 2.544 20 0 FFADHO Cn1ncc2c1CCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248440813 509322416 /nfs/dbraw/zinc/32/24/16/509322416.db2.gz JTCVNCWKXISXGG-AZUAARDMSA-N 1 3 354.498 2.544 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267083017 509339209 /nfs/dbraw/zinc/33/92/09/509339209.db2.gz GYYSMFGCGVOCBM-LJQANCHMSA-N 1 3 361.511 2.662 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000185810080 509365706 /nfs/dbraw/zinc/36/57/06/509365706.db2.gz LXPIMDLCJPRMSH-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO COc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000163500328 509384938 /nfs/dbraw/zinc/38/49/38/509384938.db2.gz UHMNKMVBCOOQRX-DYESRHJHSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCO[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000248609702 509389363 /nfs/dbraw/zinc/38/93/63/509389363.db2.gz XGQUTASIAQBSHE-NSHGMRRFSA-N 1 3 354.535 2.741 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264241155 509405486 /nfs/dbraw/zinc/40/54/86/509405486.db2.gz XBSKZQFSSFGOPR-OAQYLSRUSA-N 1 3 372.557 2.677 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264241155 509405490 /nfs/dbraw/zinc/40/54/90/509405490.db2.gz XBSKZQFSSFGOPR-OAQYLSRUSA-N 1 3 372.557 2.677 20 0 FFADHO CC[C@H](Oc1cccc(C)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176289365 509425628 /nfs/dbraw/zinc/42/56/28/509425628.db2.gz VXMQKQWRGFIONN-NRFANRHFSA-N 1 3 373.541 2.827 20 0 FFADHO CC1(C)C[C@@H](NCC2(C[NH2+][C@H]3CC(C)(C)OC3(C)C)COC2)C(C)(C)O1 ZINC000189237247 509477436 /nfs/dbraw/zinc/47/74/36/509477436.db2.gz BMCAMUHZNSDMTA-IYBDPMFKSA-N 1 3 368.562 2.874 20 0 FFADHO CC1(C)C[C@@H]([NH2+]CC2(CN[C@H]3CC(C)(C)OC3(C)C)COC2)C(C)(C)O1 ZINC000189237247 509477444 /nfs/dbraw/zinc/47/74/44/509477444.db2.gz BMCAMUHZNSDMTA-IYBDPMFKSA-N 1 3 368.562 2.874 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248794131 509488090 /nfs/dbraw/zinc/48/80/90/509488090.db2.gz JAFWJAAZWWUEIM-HZEGPAAWSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248794131 509488094 /nfs/dbraw/zinc/48/80/94/509488094.db2.gz JAFWJAAZWWUEIM-HZEGPAAWSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000267476019 509504292 /nfs/dbraw/zinc/50/42/92/509504292.db2.gz YJOOFYRKIYVHJW-GIVPXCGWSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000267476019 509504299 /nfs/dbraw/zinc/50/42/99/509504299.db2.gz YJOOFYRKIYVHJW-GIVPXCGWSA-N 1 3 368.525 2.553 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264427168 509520773 /nfs/dbraw/zinc/52/07/73/509520773.db2.gz ARBVAVOXMRZULO-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264427168 509520782 /nfs/dbraw/zinc/52/07/82/509520782.db2.gz ARBVAVOXMRZULO-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO COCCc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000189418794 509565619 /nfs/dbraw/zinc/56/56/19/509565619.db2.gz IAJFZULJXUBTTJ-UHFFFAOYSA-N 1 3 374.529 2.556 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC[NH2+]CC1 ZINC000237151209 509583246 /nfs/dbraw/zinc/58/32/46/509583246.db2.gz DBPCGHGFKBRMCQ-UHFFFAOYSA-N 1 3 357.420 2.595 20 0 FFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000237321745 509621753 /nfs/dbraw/zinc/62/17/53/509621753.db2.gz IKKRJBWNIMXEFU-BXWFABGCSA-N 1 3 363.571 2.861 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](CCc2ccccc2)[C@H]2CCOC2)CC1 ZINC000192755080 509628948 /nfs/dbraw/zinc/62/89/48/509628948.db2.gz MMLJJFXDGLUYOG-QFIPXVFZSA-N 1 3 359.558 2.736 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](CCc2ccccc2)[C@H]2CCOC2)CC1 ZINC000192755080 509628950 /nfs/dbraw/zinc/62/89/50/509628950.db2.gz MMLJJFXDGLUYOG-QFIPXVFZSA-N 1 3 359.558 2.736 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](CCCO)Cc2cccc(Cl)c2)CC1 ZINC000192773894 509639066 /nfs/dbraw/zinc/63/90/66/509639066.db2.gz GWWDDNPLIJKXTQ-UHFFFAOYSA-N 1 3 367.965 2.941 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](CCCO)Cc2cccc(Cl)c2)CC1 ZINC000192773894 509639067 /nfs/dbraw/zinc/63/90/67/509639067.db2.gz GWWDDNPLIJKXTQ-UHFFFAOYSA-N 1 3 367.965 2.941 20 0 FFADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(Cc2ccccc2)CC1 ZINC000237406161 509640283 /nfs/dbraw/zinc/64/02/83/509640283.db2.gz ZJRFAEMUOQMHLL-ZEDDUWKQSA-N 1 3 355.526 2.729 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H](N)c1ccccc1 ZINC000237449911 509650600 /nfs/dbraw/zinc/65/06/00/509650600.db2.gz WGZNKWXFDJXCQZ-OXJNMPFZSA-N 1 3 355.482 2.579 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H](N)c1ccccc1 ZINC000237619328 509691958 /nfs/dbraw/zinc/69/19/58/509691958.db2.gz WGZNKWXFDJXCQZ-OXQOHEQNSA-N 1 3 355.482 2.579 20 0 FFADHO CC1CCN(C2CCC([NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)CC2)CC1 ZINC000183383290 509751948 /nfs/dbraw/zinc/75/19/48/509751948.db2.gz GUYBNJBEQMADSR-CSODTCANSA-N 1 3 356.576 2.975 20 0 FFADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237904670 509770115 /nfs/dbraw/zinc/77/01/15/509770115.db2.gz VRWAFXQZOKOEQO-FQEVSTJZSA-N 1 3 368.525 2.547 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000173781744 509774183 /nfs/dbraw/zinc/77/41/83/509774183.db2.gz PEWHBBLDHUAHHL-PXNSSMCTSA-N 1 3 358.530 2.907 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000268144878 509779944 /nfs/dbraw/zinc/77/99/44/509779944.db2.gz GBYVNCBYYWYICK-FQEVSTJZSA-N 1 3 357.542 2.993 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000268144878 509779949 /nfs/dbraw/zinc/77/99/49/509779949.db2.gz GBYVNCBYYWYICK-FQEVSTJZSA-N 1 3 357.542 2.993 20 0 FFADHO O=C(CCC1CC[NH2+]CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000237969479 509788071 /nfs/dbraw/zinc/78/80/71/509788071.db2.gz BZZPPSGUKHTKJN-UHFFFAOYSA-N 1 3 361.555 2.996 20 0 FFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(=O)N1CCCCC1 ZINC000180172457 509792747 /nfs/dbraw/zinc/79/27/47/509792747.db2.gz QAWCDTOLDYRBDF-FYZZASKESA-N 1 3 355.526 2.888 20 0 FFADHO CCN1CCN(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000180173736 509793184 /nfs/dbraw/zinc/79/31/84/509793184.db2.gz ZHVFCMBTZSEZGF-NOTZXAQLSA-N 1 3 370.585 2.799 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCN1Cc1ccccc1 ZINC000251862136 509824874 /nfs/dbraw/zinc/82/48/74/509824874.db2.gz SITPCXFBQHTXAS-IRLDBZIGSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)[C@@H](CNC(=O)N1CC[C@H](N2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000171038177 509902762 /nfs/dbraw/zinc/90/27/62/509902762.db2.gz DKOAIZBFXUANBC-RBUKOAKNSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000245412224 509913192 /nfs/dbraw/zinc/91/31/92/509913192.db2.gz AERWNQDEXDBRSK-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000245412224 509913197 /nfs/dbraw/zinc/91/31/97/509913197.db2.gz AERWNQDEXDBRSK-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000174153702 509972309 /nfs/dbraw/zinc/97/23/09/509972309.db2.gz BBNDGDAITHYBRS-ICSRJNTNSA-N 1 3 361.505 2.980 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)s2)[C@H](C)C1 ZINC000187009249 510002462 /nfs/dbraw/zinc/00/24/62/510002462.db2.gz TVQIRIKVZWLIPQ-ZBFHGGJFSA-N 1 3 354.516 2.761 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174262950 510028770 /nfs/dbraw/zinc/02/87/70/510028770.db2.gz PCKNDMUVSRIUST-RTWAWAEBSA-N 1 3 370.541 2.778 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CCCN3C)c2)CC1 ZINC000171241083 510028749 /nfs/dbraw/zinc/02/87/49/510028749.db2.gz YCBFHKCWYGFJMS-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CCS(=O)(=O)CC1 ZINC000187121284 510070370 /nfs/dbraw/zinc/07/03/70/510070370.db2.gz DYGZHTKWSYXTLP-OAHLLOKOSA-N 1 3 370.584 2.763 20 0 FFADHO CCc1cccc(Cl)c1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261809284 510074080 /nfs/dbraw/zinc/07/40/80/510074080.db2.gz HNMPZSYGGKCZQP-HNAYVOBHSA-N 1 3 363.933 2.983 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261864290 510092761 /nfs/dbraw/zinc/09/27/61/510092761.db2.gz SMPICGROBFBCKS-LLGFUMIMSA-N 1 3 373.541 2.535 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261864290 510092769 /nfs/dbraw/zinc/09/27/69/510092769.db2.gz SMPICGROBFBCKS-LLGFUMIMSA-N 1 3 373.541 2.535 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268851993 510100636 /nfs/dbraw/zinc/10/06/36/510100636.db2.gz WQRVUEQQWHFXMY-OLZOCXBDSA-N 1 3 358.454 2.818 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000174460024 510124668 /nfs/dbraw/zinc/12/46/68/510124668.db2.gz GDWNAERDQDWCTC-MSOLQXFVSA-N 1 3 374.554 2.616 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000174460024 510124677 /nfs/dbraw/zinc/12/46/77/510124677.db2.gz GDWNAERDQDWCTC-MSOLQXFVSA-N 1 3 374.554 2.616 20 0 FFADHO COc1cc2c(c(CN(C)CC3CC[NH+](C[C@H](C)O)CC3)c1)O[C@H](C)C2 ZINC000245812008 510154776 /nfs/dbraw/zinc/15/47/76/510154776.db2.gz ZNVNTTFBLARMGS-JKSUJKDBSA-N 1 3 362.514 2.543 20 0 FFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc(OCCN(C)C)c1 ZINC000268952036 510155845 /nfs/dbraw/zinc/15/58/45/510155845.db2.gz VSETWUHNIAZCHC-UHOSZYNNSA-N 1 3 361.530 2.925 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000245953374 510226013 /nfs/dbraw/zinc/22/60/13/510226013.db2.gz PXVUYIFFIAHWCK-GPMSIDNRSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000245953374 510226020 /nfs/dbraw/zinc/22/60/20/510226020.db2.gz PXVUYIFFIAHWCK-GPMSIDNRSA-N 1 3 371.529 2.531 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1(C)C ZINC000262406467 510270307 /nfs/dbraw/zinc/27/03/07/510270307.db2.gz NHFDKRKTMWDHCJ-CZUORRHYSA-N 1 3 359.392 2.635 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1(C)C ZINC000262406465 510270340 /nfs/dbraw/zinc/27/03/40/510270340.db2.gz NHFDKRKTMWDHCJ-BBRMVZONSA-N 1 3 359.392 2.635 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246086767 510283384 /nfs/dbraw/zinc/28/33/84/510283384.db2.gz IINUXEWWSZHEAC-WMQCIHAUSA-N 1 3 373.541 2.559 20 0 FFADHO C[NH2+]CCC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262470593 510291861 /nfs/dbraw/zinc/29/18/61/510291861.db2.gz YHPNEOLLXXQOTF-PBHICJAKSA-N 1 3 357.420 2.814 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000246162964 510331371 /nfs/dbraw/zinc/33/13/71/510331371.db2.gz KVERNPWQHYYYAC-XDNAFOTISA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000246162964 510331376 /nfs/dbraw/zinc/33/13/76/510331376.db2.gz KVERNPWQHYYYAC-XDNAFOTISA-N 1 3 350.551 2.621 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CNCc3cccc(OC)n3)cc2)CC1 ZINC000190778220 510339597 /nfs/dbraw/zinc/33/95/97/510339597.db2.gz DWVIQSJQYXSHPU-UHFFFAOYSA-N 1 3 354.498 2.518 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262647958 510351351 /nfs/dbraw/zinc/35/13/51/510351351.db2.gz PEXSEGAZQPDKSZ-TYPHKJRUSA-N 1 3 371.525 2.750 20 0 FFADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000246214378 510368783 /nfs/dbraw/zinc/36/87/83/510368783.db2.gz XGONVLZGSLAZFR-GHTZIAJQSA-N 1 3 357.542 2.788 20 0 FFADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000246214378 510368790 /nfs/dbraw/zinc/36/87/90/510368790.db2.gz XGONVLZGSLAZFR-GHTZIAJQSA-N 1 3 357.542 2.788 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000194446597 510369454 /nfs/dbraw/zinc/36/94/54/510369454.db2.gz WTGSGTIDBOVWKX-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000194446597 510369463 /nfs/dbraw/zinc/36/94/63/510369463.db2.gz WTGSGTIDBOVWKX-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000174925480 510389705 /nfs/dbraw/zinc/38/97/05/510389705.db2.gz GIPHVYPNSGQYDH-JKSUJKDBSA-N 1 3 367.563 2.570 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000174925480 510389713 /nfs/dbraw/zinc/38/97/13/510389713.db2.gz GIPHVYPNSGQYDH-JKSUJKDBSA-N 1 3 367.563 2.570 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000246252607 510390775 /nfs/dbraw/zinc/39/07/75/510390775.db2.gz PMUUHMFBMXHIKV-KURKYZTESA-N 1 3 364.534 2.719 20 0 FFADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178040202 510395466 /nfs/dbraw/zinc/39/54/66/510395466.db2.gz USMOZHXBUCAHNL-IPMKNSEASA-N 1 3 361.530 2.907 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000175011169 510435888 /nfs/dbraw/zinc/43/58/88/510435888.db2.gz YXFXQYAFCCORCY-RXVVDRJESA-N 1 3 368.525 2.868 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000246373541 510453939 /nfs/dbraw/zinc/45/39/39/510453939.db2.gz AIJVQFBAXDMEFI-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C12CCC2 ZINC000181541676 510463774 /nfs/dbraw/zinc/46/37/74/510463774.db2.gz WXTSKLODMLIPRK-NHCUHLMSSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000246409609 510474504 /nfs/dbraw/zinc/47/45/04/510474504.db2.gz FDAUSLYLMGVPLW-PMXSJFBMSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000246409609 510474512 /nfs/dbraw/zinc/47/45/12/510474512.db2.gz FDAUSLYLMGVPLW-PMXSJFBMSA-N 1 3 370.541 2.918 20 0 FFADHO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000191052567 510482705 /nfs/dbraw/zinc/48/27/05/510482705.db2.gz IEBDVYZAWZXMOQ-BXAPWLEFSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000191052567 510482711 /nfs/dbraw/zinc/48/27/11/510482711.db2.gz IEBDVYZAWZXMOQ-BXAPWLEFSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000191052567 510482718 /nfs/dbraw/zinc/48/27/18/510482718.db2.gz IEBDVYZAWZXMOQ-BXAPWLEFSA-N 1 3 366.546 2.713 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246427737 510484124 /nfs/dbraw/zinc/48/41/24/510484124.db2.gz MMINGNGLKIAYNW-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246427737 510484130 /nfs/dbraw/zinc/48/41/30/510484130.db2.gz MMINGNGLKIAYNW-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000184728362 510487203 /nfs/dbraw/zinc/48/72/03/510487203.db2.gz UAORZEURKHIKID-PBEJRMEISA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CN1C1CC1 ZINC000184728362 510487218 /nfs/dbraw/zinc/48/72/18/510487218.db2.gz UAORZEURKHIKID-PBEJRMEISA-N 1 3 370.541 2.821 20 0 FFADHO Cc1nc(Cl)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000194710631 510491344 /nfs/dbraw/zinc/49/13/44/510491344.db2.gz DSVQYZPFMOHUER-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO C[C@@H]1CCCN(C(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000184746982 510496778 /nfs/dbraw/zinc/49/67/78/510496778.db2.gz OEFRABNMFDZIDF-QYZOEREBSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000246492241 510520257 /nfs/dbraw/zinc/52/02/57/510520257.db2.gz WFTZTBVYHPDXQY-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000246492241 510520261 /nfs/dbraw/zinc/52/02/61/510520261.db2.gz WFTZTBVYHPDXQY-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C12CCCC2 ZINC000181670121 510531549 /nfs/dbraw/zinc/53/15/49/510531549.db2.gz NNEYEIJWSLNXJC-UXHICEINSA-N 1 3 373.541 2.805 20 0 FFADHO COc1ccc(COC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246573560 510562658 /nfs/dbraw/zinc/56/26/58/510562658.db2.gz LLIQAZGVBDNTFE-DWLFOUALSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccc(COC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246573560 510562660 /nfs/dbraw/zinc/56/26/60/510562660.db2.gz LLIQAZGVBDNTFE-DWLFOUALSA-N 1 3 374.525 2.521 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263238673 510625867 /nfs/dbraw/zinc/62/58/67/510625867.db2.gz FQYVKOKFAPIUBD-UHOSZYNNSA-N 1 3 361.555 2.997 20 0 FFADHO CC1CCN(CCNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000175474801 510660052 /nfs/dbraw/zinc/66/00/52/510660052.db2.gz WBGQBXDJNMKOMA-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO CC1CCN(CCNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000175474801 510660059 /nfs/dbraw/zinc/66/00/59/510660059.db2.gz WBGQBXDJNMKOMA-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000266637179 510702101 /nfs/dbraw/zinc/70/21/01/510702101.db2.gz BBQFBAXVKLKRTG-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178688663 510720861 /nfs/dbraw/zinc/72/08/61/510720861.db2.gz MUEGHTPSHDZIBM-SESVDKBCSA-N 1 3 355.526 2.730 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000175785535 510790647 /nfs/dbraw/zinc/79/06/47/510790647.db2.gz RAZAYOWSFICZGY-PMACEKPBSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000178834158 510795953 /nfs/dbraw/zinc/79/59/53/510795953.db2.gz VDRRGLPBJTURJF-QZTJIDSGSA-N 1 3 357.542 2.915 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)N(C)C)cc1 ZINC000182214568 510817261 /nfs/dbraw/zinc/81/72/61/510817261.db2.gz TVFQLRLCVNFTQH-HKBOAZHASA-N 1 3 372.557 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)N(C)C)cc1 ZINC000182214568 510817263 /nfs/dbraw/zinc/81/72/63/510817263.db2.gz TVFQLRLCVNFTQH-HKBOAZHASA-N 1 3 372.557 2.977 20 0 FFADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000263744748 510822132 /nfs/dbraw/zinc/82/21/32/510822132.db2.gz OTQVJSWQZIAVEZ-FQEVSTJZSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000172616019 510822345 /nfs/dbraw/zinc/82/23/45/510822345.db2.gz NIAUQWKFSBXXCT-NQIIRXRSSA-N 1 3 372.557 2.772 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000172616019 510822349 /nfs/dbraw/zinc/82/23/49/510822349.db2.gz NIAUQWKFSBXXCT-NQIIRXRSSA-N 1 3 372.557 2.772 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000247308136 510856384 /nfs/dbraw/zinc/85/63/84/510856384.db2.gz HITYNTZPICQELE-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000247308136 510856385 /nfs/dbraw/zinc/85/63/85/510856385.db2.gz HITYNTZPICQELE-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297348584 510911897 /nfs/dbraw/zinc/91/18/97/510911897.db2.gz CKIVLPQLXCLQLT-SEJPIABJSA-N 1 3 372.557 2.818 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297348584 510911903 /nfs/dbraw/zinc/91/19/03/510911903.db2.gz CKIVLPQLXCLQLT-SEJPIABJSA-N 1 3 372.557 2.818 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccnn1CCN(C)C)c1ccccc1 ZINC000297348790 510912319 /nfs/dbraw/zinc/91/23/19/510912319.db2.gz JYNLZKOURFIYNN-GOSISDBHSA-N 1 3 372.517 2.649 20 0 FFADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(=O)[nH]n1 ZINC000285529038 510943331 /nfs/dbraw/zinc/94/33/31/510943331.db2.gz BNYCPXCCTIGDEM-AWEZNQCLSA-N 1 3 360.889 2.986 20 0 FFADHO CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285575994 510962902 /nfs/dbraw/zinc/96/29/02/510962902.db2.gz SYFZGTBNNBCCCJ-IUPYZPJSSA-N 1 3 357.542 2.835 20 0 FFADHO CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285575994 510962907 /nfs/dbraw/zinc/96/29/07/510962907.db2.gz SYFZGTBNNBCCCJ-IUPYZPJSSA-N 1 3 357.542 2.835 20 0 FFADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC3 ZINC000282512388 511007075 /nfs/dbraw/zinc/00/70/75/511007075.db2.gz ZBZKIZLCJNOGDD-INIZCTEOSA-N 1 3 370.541 2.649 20 0 FFADHO CC[N@H+](CCCC1CCN(Cc2cncn2C)CC1)Cc1cncn1C ZINC000270917124 511025611 /nfs/dbraw/zinc/02/56/11/511025611.db2.gz YMYUIZFPBSXPQN-UHFFFAOYSA-N 1 3 358.534 2.668 20 0 FFADHO CC[N@@H+](CCCC1CCN(Cc2cncn2C)CC1)Cc1cncn1C ZINC000270917124 511025619 /nfs/dbraw/zinc/02/56/19/511025619.db2.gz YMYUIZFPBSXPQN-UHFFFAOYSA-N 1 3 358.534 2.668 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4c3CCCC4)CC2)CC1 ZINC000294587543 511112315 /nfs/dbraw/zinc/11/23/15/511112315.db2.gz BXAJEKYSSHJIPG-UHFFFAOYSA-N 1 3 355.526 2.854 20 0 FFADHO C[C@@H](CN1CCOCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364926549 511158347 /nfs/dbraw/zinc/15/83/47/511158347.db2.gz MZZFFMLMVUTBTG-FQEVSTJZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H](CN1CCOCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364926549 511158348 /nfs/dbraw/zinc/15/83/48/511158348.db2.gz MZZFFMLMVUTBTG-FQEVSTJZSA-N 1 3 357.542 2.695 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000362287421 511161919 /nfs/dbraw/zinc/16/19/19/511161919.db2.gz VRAOHRGXMCPMTD-KRWDZBQOSA-N 1 3 350.466 2.578 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000362287421 511161924 /nfs/dbraw/zinc/16/19/24/511161924.db2.gz VRAOHRGXMCPMTD-KRWDZBQOSA-N 1 3 350.466 2.578 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CCN1 ZINC000333276250 511186253 /nfs/dbraw/zinc/18/62/53/511186253.db2.gz LLVGCOOKUPGINU-QBPKDAKJSA-N 1 3 355.482 2.714 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000333309601 511198501 /nfs/dbraw/zinc/19/85/01/511198501.db2.gz VBPBUHFPUYKCCP-WSTZPKSXSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)CC[N@H+]1C ZINC000333309601 511198504 /nfs/dbraw/zinc/19/85/04/511198504.db2.gz VBPBUHFPUYKCCP-WSTZPKSXSA-N 1 3 373.545 2.560 20 0 FFADHO O=S(=O)(CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000295049303 511263524 /nfs/dbraw/zinc/26/35/24/511263524.db2.gz QDHHWIMUEPXDBG-JKSUJKDBSA-N 1 3 356.919 2.720 20 0 FFADHO O=S(=O)(CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000295049303 511263529 /nfs/dbraw/zinc/26/35/29/511263529.db2.gz QDHHWIMUEPXDBG-JKSUJKDBSA-N 1 3 356.919 2.720 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccsc1 ZINC000291629752 511274594 /nfs/dbraw/zinc/27/45/94/511274594.db2.gz LIGNBMFWLXCWFX-PKOBYXMFSA-N 1 3 364.559 2.868 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccsc1 ZINC000291629752 511274598 /nfs/dbraw/zinc/27/45/98/511274598.db2.gz LIGNBMFWLXCWFX-PKOBYXMFSA-N 1 3 364.559 2.868 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc21 ZINC000283365535 511338541 /nfs/dbraw/zinc/33/85/41/511338541.db2.gz NPQBDVCRNYWPBD-SFTDATJTSA-N 1 3 373.541 2.785 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000271842536 511344659 /nfs/dbraw/zinc/34/46/59/511344659.db2.gz LBUPDNBPFXKZTJ-JKSUJKDBSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000271842536 511344663 /nfs/dbraw/zinc/34/46/63/511344663.db2.gz LBUPDNBPFXKZTJ-JKSUJKDBSA-N 1 3 353.532 2.639 20 0 FFADHO CN1CC=C(C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000271879890 511356918 /nfs/dbraw/zinc/35/69/18/511356918.db2.gz PEPKTBOWRANQIF-QZTJIDSGSA-N 1 3 367.493 2.835 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000333876054 511379173 /nfs/dbraw/zinc/37/91/73/511379173.db2.gz VIPDXXSGIMROPH-IXDOHACOSA-N 1 3 355.482 2.716 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000333949411 511401462 /nfs/dbraw/zinc/40/14/62/511401462.db2.gz XGHUSUYJEWQGLI-HTDHLNIYSA-N 1 3 356.514 2.591 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000363357044 511500426 /nfs/dbraw/zinc/50/04/26/511500426.db2.gz VUAUVNQHCJKVLD-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000363357044 511500429 /nfs/dbraw/zinc/50/04/29/511500429.db2.gz VUAUVNQHCJKVLD-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1COCC[C@@H]1NCc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1F ZINC000295994887 511582682 /nfs/dbraw/zinc/58/26/82/511582682.db2.gz MFMDTABXYPTSOG-IPZZXCBHSA-N 1 3 350.478 2.855 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CCOC1 ZINC000280750633 511588085 /nfs/dbraw/zinc/58/80/85/511588085.db2.gz DTVUKFGQPZJKND-QMCAAQAGSA-N 1 3 358.526 2.522 20 0 FFADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000284166819 511628715 /nfs/dbraw/zinc/62/87/15/511628715.db2.gz QDVGOCSPWXWULT-RBUKOAKNSA-N 1 3 352.544 2.974 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365758030 511638980 /nfs/dbraw/zinc/63/89/80/511638980.db2.gz GSFFYPZSVIMLOI-RTWAWAEBSA-N 1 3 367.537 2.841 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365758030 511638983 /nfs/dbraw/zinc/63/89/83/511638983.db2.gz GSFFYPZSVIMLOI-RTWAWAEBSA-N 1 3 367.537 2.841 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000365898827 511718172 /nfs/dbraw/zinc/71/81/72/511718172.db2.gz WFHLSIDFAYVVFL-UHFFFAOYSA-N 1 3 352.482 2.790 20 0 FFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCC2CCOCC2)CC1 ZINC000292802924 511725657 /nfs/dbraw/zinc/72/56/57/511725657.db2.gz BOKNKXCCHAQLJZ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000303172135 511728514 /nfs/dbraw/zinc/72/85/14/511728514.db2.gz RHTOGOBBGFKNPA-ROUUACIJSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000303172135 511728527 /nfs/dbraw/zinc/72/85/27/511728527.db2.gz RHTOGOBBGFKNPA-ROUUACIJSA-N 1 3 352.567 2.917 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000303427033 511737537 /nfs/dbraw/zinc/73/75/37/511737537.db2.gz AXAOYKBZFFEDOA-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000303427033 511737543 /nfs/dbraw/zinc/73/75/43/511737543.db2.gz AXAOYKBZFFEDOA-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000274212304 511755368 /nfs/dbraw/zinc/75/53/68/511755368.db2.gz NXJBJRZNAFJIEB-LVCYWYKZSA-N 1 3 372.557 2.879 20 0 FFADHO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000363785325 511767174 /nfs/dbraw/zinc/76/71/74/511767174.db2.gz OUUKEDLPBIJEGI-IEBWSBKVSA-N 1 3 361.530 2.531 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000310984120 511774658 /nfs/dbraw/zinc/77/46/58/511774658.db2.gz GLRIMBJMMUQROX-RTBURBONSA-N 1 3 360.523 2.737 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000310984120 511774663 /nfs/dbraw/zinc/77/46/63/511774663.db2.gz GLRIMBJMMUQROX-RTBURBONSA-N 1 3 360.523 2.737 20 0 FFADHO OC[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000292986358 511796137 /nfs/dbraw/zinc/79/61/37/511796137.db2.gz BSNGUNNEGVXRDL-WOJBJXKFSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000292986358 511796142 /nfs/dbraw/zinc/79/61/42/511796142.db2.gz BSNGUNNEGVXRDL-WOJBJXKFSA-N 1 3 360.542 2.875 20 0 FFADHO Brc1cnn(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)c1 ZINC000314771042 511796811 /nfs/dbraw/zinc/79/68/11/511796811.db2.gz LCVYAQLZIPSKJL-OWCLPIDISA-N 1 3 355.324 2.936 20 0 FFADHO CN1CCC[C@@]2(CC[N@H+](CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000293002921 511802963 /nfs/dbraw/zinc/80/29/63/511802963.db2.gz PAHWDLOLYBYOQR-JOCHJYFZSA-N 1 3 356.558 2.616 20 0 FFADHO CN1CCC[C@@]2(CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000293002921 511802967 /nfs/dbraw/zinc/80/29/67/511802967.db2.gz PAHWDLOLYBYOQR-JOCHJYFZSA-N 1 3 356.558 2.616 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000293002921 511802970 /nfs/dbraw/zinc/80/29/70/511802970.db2.gz PAHWDLOLYBYOQR-JOCHJYFZSA-N 1 3 356.558 2.616 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000293002921 511802973 /nfs/dbraw/zinc/80/29/73/511802973.db2.gz PAHWDLOLYBYOQR-JOCHJYFZSA-N 1 3 356.558 2.616 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H](c4ccccc4)C3)CC2)CC1 ZINC000281387507 511828099 /nfs/dbraw/zinc/82/80/99/511828099.db2.gz GOWXQTRUJSYIAH-KESTWPANSA-N 1 3 370.541 2.790 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000274495517 511854625 /nfs/dbraw/zinc/85/46/25/511854625.db2.gz GSFRKMOUQJYPTN-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000274495517 511854628 /nfs/dbraw/zinc/85/46/28/511854628.db2.gz GSFRKMOUQJYPTN-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363958041 511873882 /nfs/dbraw/zinc/87/38/82/511873882.db2.gz DZFUMFUKPSNXHG-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363958041 511873884 /nfs/dbraw/zinc/87/38/84/511873884.db2.gz DZFUMFUKPSNXHG-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000296870458 511930813 /nfs/dbraw/zinc/93/08/13/511930813.db2.gz BRVPEJDKVLITHD-MFPFXBIISA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000296870458 511930819 /nfs/dbraw/zinc/93/08/19/511930819.db2.gz BRVPEJDKVLITHD-MFPFXBIISA-N 1 3 356.514 2.574 20 0 FFADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000366549898 512083053 /nfs/dbraw/zinc/08/30/53/512083053.db2.gz GRHIYEZJQSOJBO-NRFANRHFSA-N 1 3 371.525 2.656 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000371583959 512479615 /nfs/dbraw/zinc/47/96/15/512479615.db2.gz PEQIPIXHLHLLJV-QUCCMNQESA-N 1 3 370.541 2.848 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000371583959 512479619 /nfs/dbraw/zinc/47/96/19/512479619.db2.gz PEQIPIXHLHLLJV-QUCCMNQESA-N 1 3 370.541 2.848 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)cc1 ZINC000367593378 512575601 /nfs/dbraw/zinc/57/56/01/512575601.db2.gz JTZSDRLIAZHUFK-FCRQHZQGSA-N 1 3 367.493 2.593 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000373933453 512579152 /nfs/dbraw/zinc/57/91/52/512579152.db2.gz LRKNLBNBPRZMTO-SJLPKXTDSA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000373933453 512579157 /nfs/dbraw/zinc/57/91/57/512579157.db2.gz LRKNLBNBPRZMTO-SJLPKXTDSA-N 1 3 360.502 2.512 20 0 FFADHO C[C@@H]1CN(CCSc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378309805 512688712 /nfs/dbraw/zinc/68/87/12/512688712.db2.gz BXHUCSCIDZBJHN-VQIMIIECSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378309805 512688718 /nfs/dbraw/zinc/68/87/18/512688718.db2.gz BXHUCSCIDZBJHN-VQIMIIECSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000378309805 512688722 /nfs/dbraw/zinc/68/87/22/512688722.db2.gz BXHUCSCIDZBJHN-VQIMIIECSA-N 1 3 351.535 2.876 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374278088 512742433 /nfs/dbraw/zinc/74/24/33/512742433.db2.gz OJMXQIHLGBCRLX-UNMCSNQZSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374278088 512742437 /nfs/dbraw/zinc/74/24/37/512742437.db2.gz OJMXQIHLGBCRLX-UNMCSNQZSA-N 1 3 372.557 2.882 20 0 FFADHO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370148704 512791935 /nfs/dbraw/zinc/79/19/35/512791935.db2.gz MADVGXYXNWLXDZ-GHTZIAJQSA-N 1 3 373.541 2.710 20 0 FFADHO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370148704 512791939 /nfs/dbraw/zinc/79/19/39/512791939.db2.gz MADVGXYXNWLXDZ-GHTZIAJQSA-N 1 3 373.541 2.710 20 0 FFADHO C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411749666 512792716 /nfs/dbraw/zinc/79/27/16/512792716.db2.gz LTBZGUUAWLCOJL-DENIHFKCSA-N 1 3 357.542 2.968 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)cc2)CC1 ZINC000376396977 512800598 /nfs/dbraw/zinc/80/05/98/512800598.db2.gz QDLKYGVHIJAUEZ-GHTZIAJQSA-N 1 3 370.541 2.527 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374597522 512909302 /nfs/dbraw/zinc/90/93/02/512909302.db2.gz TULGZHXQZLSBAN-HMXCVIKNSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374597522 512909307 /nfs/dbraw/zinc/90/93/07/512909307.db2.gz TULGZHXQZLSBAN-HMXCVIKNSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412056439 512934605 /nfs/dbraw/zinc/93/46/05/512934605.db2.gz STFJGPQRRNGXMS-JZXOWHBKSA-N 1 3 353.576 2.583 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](CN)c1ccccc1 ZINC000398039493 512952944 /nfs/dbraw/zinc/95/29/44/512952944.db2.gz KLOHFAJABLNDCX-QMMLZNLJSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](CN)c1ccccc1 ZINC000398039493 512952950 /nfs/dbraw/zinc/95/29/50/512952950.db2.gz KLOHFAJABLNDCX-QMMLZNLJSA-N 1 3 351.494 2.756 20 0 FFADHO CC(C)[C@@H]1C[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000376865874 513022784 /nfs/dbraw/zinc/02/27/84/513022784.db2.gz CCKFYABXSNHWFG-PXNSSMCTSA-N 1 3 365.562 2.503 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)cc2)CC1 ZINC000368707403 513070469 /nfs/dbraw/zinc/07/04/69/513070469.db2.gz MLPRPNODIWOYEH-UHFFFAOYSA-N 1 3 370.541 2.529 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC4(CCC[N@H+]4C)CC3)cc2)CC1 ZINC000368707403 513070474 /nfs/dbraw/zinc/07/04/74/513070474.db2.gz MLPRPNODIWOYEH-UHFFFAOYSA-N 1 3 370.541 2.529 20 0 FFADHO Cc1ccc(NC(=O)N(CC[NH3+])Cc2ccccc2)c(OCCN(C)C)c1 ZINC000415204774 513151802 /nfs/dbraw/zinc/15/18/02/513151802.db2.gz OYZKUEONPOIEIK-UHFFFAOYSA-N 1 3 370.497 2.928 20 0 FFADHO CN(C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CC([NH3+])C1 ZINC000417679104 513156185 /nfs/dbraw/zinc/15/61/85/513156185.db2.gz HDBLGDSWSYQXJU-CTWPCTMYSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000417693612 513167342 /nfs/dbraw/zinc/16/73/42/513167342.db2.gz QQWHZLVPDACQIQ-XMSQKQJNSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000417694451 513167427 /nfs/dbraw/zinc/16/74/27/513167427.db2.gz RXGHTXBMKFVURU-POAQFYNOSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)N(C)Cc1ccccc1 ZINC000428755336 513183341 /nfs/dbraw/zinc/18/33/41/513183341.db2.gz XFCFIXBTQKSJGS-KRWDZBQOSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000417738239 513188674 /nfs/dbraw/zinc/18/86/74/513188674.db2.gz OOUMOUZRIRIKBA-BFYDXBDKSA-N 1 3 350.532 2.524 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417816915 513220702 /nfs/dbraw/zinc/22/07/02/513220702.db2.gz DHRAWHKTSOLZIV-ZULIPRJHSA-N 1 3 358.530 2.808 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000417819844 513221317 /nfs/dbraw/zinc/22/13/17/513221317.db2.gz GRZGGRCTFMMHQI-LCLWPZTBSA-N 1 3 358.530 2.523 20 0 FFADHO CCCN1C[C@H](C[NH2+]Cc2ccccc2N2CCN(CCC)CC2)CC1=O ZINC000421346610 513231512 /nfs/dbraw/zinc/23/15/12/513231512.db2.gz DAHLLANKNPHWNF-IBGZPJMESA-N 1 3 372.557 2.567 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000417847448 513234818 /nfs/dbraw/zinc/23/48/18/513234818.db2.gz URDVHMICHHQBEX-AFYVEPGGSA-N 1 3 356.514 2.575 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446587844 513289181 /nfs/dbraw/zinc/28/91/81/513289181.db2.gz VZAJFTMHNAUGJC-UHFFFAOYSA-N 1 3 369.513 2.781 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418030771 513343360 /nfs/dbraw/zinc/34/33/60/513343360.db2.gz KACQGMCDZKHTRQ-SXLOBPIMSA-N 1 3 360.546 2.830 20 0 FFADHO CN(C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418041101 513348791 /nfs/dbraw/zinc/34/87/91/513348791.db2.gz JWUHOOBUVQFOCB-CZJMCEMMSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@]1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCN1Cc1ccccc1 ZINC000418041623 513349853 /nfs/dbraw/zinc/34/98/53/513349853.db2.gz KVIVLSHXDSEJGY-FCHUYYIVSA-N 1 3 370.541 2.826 20 0 FFADHO CCCN(C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000418049937 513353846 /nfs/dbraw/zinc/35/38/46/513353846.db2.gz ZKZDGLSMOZGQIS-PZJWPPBQSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000418130941 513384297 /nfs/dbraw/zinc/38/42/97/513384297.db2.gz COBYZJSBAUANCB-SFTDATJTSA-N 1 3 366.509 2.896 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000418130941 513384304 /nfs/dbraw/zinc/38/43/04/513384304.db2.gz COBYZJSBAUANCB-SFTDATJTSA-N 1 3 366.509 2.896 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418148788 513390975 /nfs/dbraw/zinc/39/09/75/513390975.db2.gz AILSNGLGIKXIQI-ZCNNSNEGSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418153784 513394799 /nfs/dbraw/zinc/39/47/99/513394799.db2.gz JDHUPDRJIJALFE-RXVVDRJESA-N 1 3 358.530 2.667 20 0 FFADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418158113 513396726 /nfs/dbraw/zinc/39/67/26/513396726.db2.gz PFNHEZKTABUZIN-SQBLYHGDSA-N 1 3 366.509 2.690 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)CN1 ZINC000418164337 513400422 /nfs/dbraw/zinc/40/04/22/513400422.db2.gz WSLJJASYDYNKJJ-ZIFCJYIRSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)CN1 ZINC000418164337 513400436 /nfs/dbraw/zinc/40/04/36/513400436.db2.gz WSLJJASYDYNKJJ-ZIFCJYIRSA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccco1 ZINC000418172962 513404810 /nfs/dbraw/zinc/40/48/10/513404810.db2.gz XSIOMTQSOCLCLN-QXCFHYIPSA-N 1 3 370.497 2.845 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H](c1ccccc1)N(C)C ZINC000418178491 513407987 /nfs/dbraw/zinc/40/79/87/513407987.db2.gz IXKRKZARMMQWOI-RNQOJCNYSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)N(C)C)cc1 ZINC000418189059 513413088 /nfs/dbraw/zinc/41/30/88/513413088.db2.gz HFLDGKUDPOWBKD-HBMCJLEFSA-N 1 3 372.557 2.881 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000418196309 513415462 /nfs/dbraw/zinc/41/54/62/513415462.db2.gz RBUYGHBOJPHSIA-UXPWSPDFSA-N 1 3 360.546 2.928 20 0 FFADHO C[NH2+]CCCNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418277990 513449025 /nfs/dbraw/zinc/44/90/25/513449025.db2.gz KEYVNSDPJXHKSC-FQEVSTJZSA-N 1 3 372.557 2.928 20 0 FFADHO CCN(C(=O)NCCC[NH2+]C1CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418282279 513451433 /nfs/dbraw/zinc/45/14/33/513451433.db2.gz GVHVRFXBYSUPBJ-FXAWDEMLSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000418313962 513458349 /nfs/dbraw/zinc/45/83/49/513458349.db2.gz RCDQMZRXMUKKMI-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418316686 513460182 /nfs/dbraw/zinc/46/01/82/513460182.db2.gz LZVPGRAPRRZEAH-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CC1(C)CN(C(=O)NCCC[NH3+])[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418317449 513460254 /nfs/dbraw/zinc/46/02/54/513460254.db2.gz YLXLDPSIAVDZDC-IBGZPJMESA-N 1 3 358.530 2.667 20 0 FFADHO NC(=O)CC1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421884577 513460506 /nfs/dbraw/zinc/46/05/06/513460506.db2.gz QUQIQJAFRDGISB-HSALFYBXSA-N 1 3 355.526 2.922 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418330409 513467328 /nfs/dbraw/zinc/46/73/28/513467328.db2.gz BSZVZWNIZOFYLQ-NLWGTHIKSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CN1C1CC1 ZINC000441061706 513471171 /nfs/dbraw/zinc/47/11/71/513471171.db2.gz XFSSDUVCRLQLEU-KPFFTGBYSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CN1C1CC1 ZINC000441061706 513471180 /nfs/dbraw/zinc/47/11/80/513471180.db2.gz XFSSDUVCRLQLEU-KPFFTGBYSA-N 1 3 362.562 2.956 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418340335 513472745 /nfs/dbraw/zinc/47/27/45/513472745.db2.gz GIFHDLLMRFWWBY-SESVDKBCSA-N 1 3 370.541 2.540 20 0 FFADHO C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000418353216 513479368 /nfs/dbraw/zinc/47/93/68/513479368.db2.gz VQTBOHRMGAVYSH-AZUAARDMSA-N 1 3 360.546 2.581 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418360495 513482896 /nfs/dbraw/zinc/48/28/96/513482896.db2.gz GGCWFFKQXDJBHV-RBUKOAKNSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418376950 513488804 /nfs/dbraw/zinc/48/88/04/513488804.db2.gz IXMLFYYJPDEWOP-QGZVFWFLSA-N 1 3 352.548 2.729 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccco1 ZINC000415944847 513492510 /nfs/dbraw/zinc/49/25/10/513492510.db2.gz JNJGJTHXMQZUAE-YOEHRIQHSA-N 1 3 360.458 2.868 20 0 FFADHO CC1(C)CN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418396182 513493855 /nfs/dbraw/zinc/49/38/55/513493855.db2.gz ZKGRGXPMLFLGEA-UXHICEINSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418397247 513494610 /nfs/dbraw/zinc/49/46/10/513494610.db2.gz BZSBJHIGDJARIN-RLLQIKCJSA-N 1 3 358.530 2.810 20 0 FFADHO [NH3+]Cc1ccc(NC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000415959004 513499868 /nfs/dbraw/zinc/49/98/68/513499868.db2.gz OVTOTABPXUPNON-UHFFFAOYSA-N 1 3 352.482 2.974 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000435100417 513511249 /nfs/dbraw/zinc/51/12/49/513511249.db2.gz GBWOUTUQMKPBIJ-MSOLQXFVSA-N 1 3 360.502 2.718 20 0 FFADHO CCCN(C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418542250 513550019 /nfs/dbraw/zinc/55/00/19/513550019.db2.gz RGCQCQYPIZUGFS-OAQYLSRUSA-N 1 3 370.541 2.992 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418544447 513551575 /nfs/dbraw/zinc/55/15/75/513551575.db2.gz UXAWQZZKFBHAFD-PXNSSMCTSA-N 1 3 356.514 2.601 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000416044125 513553939 /nfs/dbraw/zinc/55/39/39/513553939.db2.gz LTLHGUPXJIPYTJ-QWHCGFSZSA-N 1 3 366.815 2.522 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000435382447 513570767 /nfs/dbraw/zinc/57/07/67/513570767.db2.gz ZZBKPSQJEPUJCW-APHBMKBZSA-N 1 3 358.438 2.787 20 0 FFADHO COc1ccc(-c2ccccc2)cc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000435382860 513570952 /nfs/dbraw/zinc/57/09/52/513570952.db2.gz COPTYYIGSBUZQM-LJQANCHMSA-N 1 3 367.493 2.649 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCN1C(=O)c2ccccc2C1=O ZINC000447820691 513583018 /nfs/dbraw/zinc/58/30/18/513583018.db2.gz ICNSMIROQRAPAM-APWZRJJASA-N 1 3 357.498 2.773 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C(F)(F)F)CCCC3)CC2)CC1 ZINC000416144223 513596576 /nfs/dbraw/zinc/59/65/76/513596576.db2.gz MGIDKGRNYKABTH-UHFFFAOYSA-N 1 3 361.452 2.784 20 0 FFADHO CCN(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418662394 513600263 /nfs/dbraw/zinc/60/02/63/513600263.db2.gz SVTIHTPOHQIAMJ-QHAWAJNXSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418684771 513611613 /nfs/dbraw/zinc/61/16/13/513611613.db2.gz HNGIYXCPNUSPLB-CQSZACIVSA-N 1 3 374.451 2.906 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418689720 513614514 /nfs/dbraw/zinc/61/45/14/513614514.db2.gz GDESXJCSWSHBFT-CQSZACIVSA-N 1 3 356.461 2.556 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418735816 513630288 /nfs/dbraw/zinc/63/02/88/513630288.db2.gz WSDQFZCPDZKRPT-YZGWKJHDSA-N 1 3 358.530 2.810 20 0 FFADHO CN1C[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000416184269 513631001 /nfs/dbraw/zinc/63/10/01/513631001.db2.gz NLRJIEWUHLHONK-FGZHOGPDSA-N 1 3 363.505 2.649 20 0 FFADHO CN1C[C@@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000416184269 513631003 /nfs/dbraw/zinc/63/10/03/513631003.db2.gz NLRJIEWUHLHONK-FGZHOGPDSA-N 1 3 363.505 2.649 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000422205000 513637665 /nfs/dbraw/zinc/63/76/65/513637665.db2.gz IXNVFRZDNZHVSK-SJLPKXTDSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000422205000 513637671 /nfs/dbraw/zinc/63/76/71/513637671.db2.gz IXNVFRZDNZHVSK-SJLPKXTDSA-N 1 3 364.559 2.747 20 0 FFADHO CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435615831 513637907 /nfs/dbraw/zinc/63/79/07/513637907.db2.gz QPQNRTAXZOJION-GOSISDBHSA-N 1 3 372.513 2.606 20 0 FFADHO CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCNCC1 ZINC000435615831 513637917 /nfs/dbraw/zinc/63/79/17/513637917.db2.gz QPQNRTAXZOJION-GOSISDBHSA-N 1 3 372.513 2.606 20 0 FFADHO CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCNCC1 ZINC000435615831 513637922 /nfs/dbraw/zinc/63/79/22/513637922.db2.gz QPQNRTAXZOJION-GOSISDBHSA-N 1 3 372.513 2.606 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418751478 513639586 /nfs/dbraw/zinc/63/95/86/513639586.db2.gz RFVHPYYHERRNQD-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000418761391 513645345 /nfs/dbraw/zinc/64/53/45/513645345.db2.gz FUPRRYNJCRVCGB-IAGOWNOFSA-N 1 3 352.910 2.774 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000418794038 513660034 /nfs/dbraw/zinc/66/00/34/513660034.db2.gz QQZZSJZBSVNIGT-BTHPGYMESA-N 1 3 358.530 2.808 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425654925 513681445 /nfs/dbraw/zinc/68/14/45/513681445.db2.gz PJKXKOKGAUBBRA-JSXRDJHFSA-N 1 3 368.525 2.529 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425654925 513681449 /nfs/dbraw/zinc/68/14/49/513681449.db2.gz PJKXKOKGAUBBRA-JSXRDJHFSA-N 1 3 368.525 2.529 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425665602 513688290 /nfs/dbraw/zinc/68/82/90/513688290.db2.gz XOBQTHOBIABNLN-FRYIKTPZSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425665602 513688298 /nfs/dbraw/zinc/68/82/98/513688298.db2.gz XOBQTHOBIABNLN-FRYIKTPZSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000430588192 513698428 /nfs/dbraw/zinc/69/84/28/513698428.db2.gz YSACURGUMWZYAM-STQMWFEESA-N 1 3 354.292 2.837 20 0 FFADHO C[N@H+](CCCOc1cccc(I)c1)C1CCNCC1 ZINC000430622842 513705874 /nfs/dbraw/zinc/70/58/74/513705874.db2.gz MGKNAMARRCXNBU-UHFFFAOYSA-N 1 3 374.266 2.744 20 0 FFADHO C[N@@H+](CCCOc1cccc(I)c1)C1CCNCC1 ZINC000430622842 513705881 /nfs/dbraw/zinc/70/58/81/513705881.db2.gz MGKNAMARRCXNBU-UHFFFAOYSA-N 1 3 374.266 2.744 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000448203307 513706453 /nfs/dbraw/zinc/70/64/53/513706453.db2.gz XLSVEWGAVAWALT-IPMKNSEASA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000448203307 513706461 /nfs/dbraw/zinc/70/64/61/513706461.db2.gz XLSVEWGAVAWALT-IPMKNSEASA-N 1 3 352.567 2.917 20 0 FFADHO COc1cc(NC(=O)c2ccc(CN(C)C)cc2)ccc1OCC[NH+](C)C ZINC000416343181 513723164 /nfs/dbraw/zinc/72/31/64/513723164.db2.gz QXJDWVXPQQDDPM-UHFFFAOYSA-N 1 3 371.481 2.950 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000430775118 513745393 /nfs/dbraw/zinc/74/53/93/513745393.db2.gz IUYBDTAVHLIQGN-RTWAWAEBSA-N 1 3 373.541 2.557 20 0 FFADHO Cc1cc(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000430814292 513756664 /nfs/dbraw/zinc/75/66/64/513756664.db2.gz IDYNTCLYWDJUIE-DNVCBOLYSA-N 1 3 355.486 2.733 20 0 FFADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC3 ZINC000442869903 513799836 /nfs/dbraw/zinc/79/98/36/513799836.db2.gz QFNJQZCXWPHGLS-KRWDZBQOSA-N 1 3 354.542 2.949 20 0 FFADHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000442879829 513802318 /nfs/dbraw/zinc/80/23/18/513802318.db2.gz WMELNMXXYDZTQA-GOSISDBHSA-N 1 3 360.502 2.846 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1cccc(OC)c1 ZINC000422587171 513857973 /nfs/dbraw/zinc/85/79/73/513857973.db2.gz DIARNKCGJQZPBQ-KRWDZBQOSA-N 1 3 350.507 2.505 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1(C)C ZINC000443066374 513861355 /nfs/dbraw/zinc/86/13/55/513861355.db2.gz HNNWDEXLCKLOSC-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000422745965 513920969 /nfs/dbraw/zinc/92/09/69/513920969.db2.gz NCKGLKXWMXXNQJ-KBXCAEBGSA-N 1 3 360.527 2.634 20 0 FFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000422751279 513922050 /nfs/dbraw/zinc/92/20/50/513922050.db2.gz BDEHUIORHIPCMS-VAMGGRTRSA-N 1 3 362.489 2.621 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccccc2Br)CC1 ZINC000422783514 513930541 /nfs/dbraw/zinc/93/05/41/513930541.db2.gz MYPGTPVEPVPQHE-HEHGZKQESA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422783514 513930544 /nfs/dbraw/zinc/93/05/44/513930544.db2.gz MYPGTPVEPVPQHE-HEHGZKQESA-N 1 3 353.304 2.823 20 0 FFADHO c1ccc(N2CCN(CCCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422803663 513937665 /nfs/dbraw/zinc/93/76/65/513937665.db2.gz DHCGQBQCJCLIBT-VSKRKVRLSA-N 1 3 356.558 2.709 20 0 FFADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422832657 513946036 /nfs/dbraw/zinc/94/60/36/513946036.db2.gz LILVIECMWIKSPP-XHSDSOJGSA-N 1 3 356.436 3.413 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)Oc1ccccc1Br ZINC000422838289 513947038 /nfs/dbraw/zinc/94/70/38/513947038.db2.gz OBXHBPZIEMKUHZ-GUIRCDHDSA-N 1 3 357.292 2.558 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000426460704 513948000 /nfs/dbraw/zinc/94/80/00/513948000.db2.gz PZTAZWDGVBPAAP-RXVVDRJESA-N 1 3 355.526 2.950 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422853532 513953026 /nfs/dbraw/zinc/95/30/26/513953026.db2.gz ZBVGTMZAPWPTKG-KPOBHBOGSA-N 1 3 371.456 2.920 20 0 FFADHO C[C@@H](NCC1(c2ccc(Br)cc2)CCOCC1)C1C[NH2+]C1 ZINC000422878812 513961667 /nfs/dbraw/zinc/96/16/67/513961667.db2.gz KTNNRKUYCPDUDQ-CYBMUJFWSA-N 1 3 353.304 2.695 20 0 FFADHO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CNC1 ZINC000422878812 513961671 /nfs/dbraw/zinc/96/16/71/513961671.db2.gz KTNNRKUYCPDUDQ-CYBMUJFWSA-N 1 3 353.304 2.695 20 0 FFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422886702 513965212 /nfs/dbraw/zinc/96/52/12/513965212.db2.gz JQCQACZMZHTQEG-APWZRJJASA-N 1 3 350.938 2.569 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416808861 513975134 /nfs/dbraw/zinc/97/51/34/513975134.db2.gz AKCNWDGWJVPPTL-FXAWDEMLSA-N 1 3 374.529 2.521 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422944044 513986368 /nfs/dbraw/zinc/98/63/68/513986368.db2.gz MAWGNDXOMMXGLT-RHSMWYFYSA-N 1 3 364.461 2.950 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCC(=O)N1CCc2ccccc21 ZINC000422951885 513989064 /nfs/dbraw/zinc/98/90/64/513989064.db2.gz AQBIWAQHKNNXLG-PXNSSMCTSA-N 1 3 351.494 2.904 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCC(=O)N1Cc2ccccc2C1 ZINC000422954005 513989845 /nfs/dbraw/zinc/98/98/45/513989845.db2.gz GVQZJXWTRBYVDO-DYESRHJHSA-N 1 3 351.494 2.857 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCC(=O)N1Cc2ccccc2C1 ZINC000422954006 513990085 /nfs/dbraw/zinc/99/00/85/513990085.db2.gz GVQZJXWTRBYVDO-LAUBAEHRSA-N 1 3 351.494 2.857 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422953703 513990729 /nfs/dbraw/zinc/99/07/29/513990729.db2.gz GCXGLDXUDMNBRX-OAHLLOKOSA-N 1 3 352.482 2.822 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416836652 513991537 /nfs/dbraw/zinc/99/15/37/513991537.db2.gz GWIXOIWPAIOUJM-FPOVZHCZSA-N 1 3 366.509 2.823 20 0 FFADHO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CCC[C@H]3N)c2)cc1 ZINC000422959430 513992664 /nfs/dbraw/zinc/99/26/64/513992664.db2.gz RXMYZXZQHGWOSI-WOJBJXKFSA-N 1 3 369.465 2.796 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000416839917 513994300 /nfs/dbraw/zinc/99/43/00/513994300.db2.gz KPUQPRCYPNJKQQ-LWYYNNOASA-N 1 3 358.530 2.838 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422973015 513996078 /nfs/dbraw/zinc/99/60/78/513996078.db2.gz AXFYRPRWDCDKMQ-JXFKEZNVSA-N 1 3 355.482 2.688 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000416846541 513999672 /nfs/dbraw/zinc/99/96/72/513999672.db2.gz UIXKTTIESBJJSF-UAFMIMERSA-N 1 3 358.530 2.757 20 0 FFADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccsc1 ZINC000414187101 514002967 /nfs/dbraw/zinc/00/29/67/514002967.db2.gz HZJZIELVSBQHRY-SFHVURJKSA-N 1 3 351.560 2.976 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000443634421 514009540 /nfs/dbraw/zinc/00/95/40/514009540.db2.gz YUIUXPIDYULMKX-UIFIKXQLSA-N 1 3 372.557 2.805 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000443634421 514009549 /nfs/dbraw/zinc/00/95/49/514009549.db2.gz YUIUXPIDYULMKX-UIFIKXQLSA-N 1 3 372.557 2.805 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000423023449 514011134 /nfs/dbraw/zinc/01/11/34/514011134.db2.gz HLBVIEMEFDOCPK-MAUKXSAKSA-N 1 3 354.502 2.557 20 0 FFADHO CN(CCCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000416866036 514012094 /nfs/dbraw/zinc/01/20/94/514012094.db2.gz ADMNVQCEKGSQBP-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CCc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2n1 ZINC000443672634 514019847 /nfs/dbraw/zinc/01/98/47/514019847.db2.gz FTEJCJVKWQVUDQ-UHFFFAOYSA-N 1 3 354.498 2.574 20 0 FFADHO C[C@]1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423058810 514022955 /nfs/dbraw/zinc/02/29/55/514022955.db2.gz DEZAFVFVHODCTA-DXBBTUNJSA-N 1 3 357.542 2.788 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccnc(SCC)c2)CC[NH2+]CC1 ZINC000423064592 514024504 /nfs/dbraw/zinc/02/45/04/514024504.db2.gz RYMZZHOSPXMVTR-AWEZNQCLSA-N 1 3 351.516 2.605 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000431866347 514025809 /nfs/dbraw/zinc/02/58/09/514025809.db2.gz UQKWYTFIKZWXBP-FQEVSTJZSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000431866347 514025813 /nfs/dbraw/zinc/02/58/13/514025813.db2.gz UQKWYTFIKZWXBP-FQEVSTJZSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423073366 514029251 /nfs/dbraw/zinc/02/92/51/514029251.db2.gz REHZIIUZLGQNGI-PCBIJLKTSA-N 1 3 358.313 2.914 20 0 FFADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423074291 514029393 /nfs/dbraw/zinc/02/93/93/514029393.db2.gz UJRDMZBWZUTYEE-QLFBSQMISA-N 1 3 351.516 2.763 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000416893721 514029584 /nfs/dbraw/zinc/02/95/84/514029584.db2.gz RPFXLBURUZXNRB-UHFFFAOYSA-N 1 3 354.498 2.809 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449017128 514031252 /nfs/dbraw/zinc/03/12/52/514031252.db2.gz HCPZCVMXDBRLDH-UHFFFAOYSA-N 1 3 372.513 2.744 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C2CC2)CC1 ZINC000414275377 514031638 /nfs/dbraw/zinc/03/16/38/514031638.db2.gz WMGXZBJAOUOVNJ-DENIHFKCSA-N 1 3 357.542 2.740 20 0 FFADHO FC(F)C(F)(F)COCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423079919 514032222 /nfs/dbraw/zinc/03/22/22/514032222.db2.gz YVFQWSNKDUBVFN-CZUORRHYSA-N 1 3 362.367 2.749 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423079997 514032884 /nfs/dbraw/zinc/03/28/84/514032884.db2.gz ZDFBIXVBFSZDPE-AJSBUHFISA-N 1 3 367.537 2.826 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000423116218 514049312 /nfs/dbraw/zinc/04/93/12/514049312.db2.gz ZYRZJBBNNIJYNW-APIJFGDWSA-N 1 3 367.563 2.964 20 0 FFADHO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000423143785 514057709 /nfs/dbraw/zinc/05/77/09/514057709.db2.gz XXCKPFSEEDKZKV-QKKBWIMNSA-N 1 3 373.497 2.510 20 0 FFADHO CC(=O)Nc1ccc(C[NH+]2CCC(N[C@H](C)c3cnccc3N)CC2)cc1 ZINC000423148765 514060818 /nfs/dbraw/zinc/06/08/18/514060818.db2.gz GNJTXNRJUONNBH-OAHLLOKOSA-N 1 3 367.497 2.768 20 0 FFADHO Brc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423160147 514064944 /nfs/dbraw/zinc/06/49/44/514064944.db2.gz HCAYYKRQEKAINC-BRWVUGGUSA-N 1 3 353.304 2.738 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NC(C)(C)C[NH3+])cc1 ZINC000416960828 514068064 /nfs/dbraw/zinc/06/80/64/514068064.db2.gz OPOUFSYVPPKVHG-UHFFFAOYSA-N 1 3 354.498 2.952 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000416963285 514071383 /nfs/dbraw/zinc/07/13/83/514071383.db2.gz RHOMLGDVMOSFEK-SFHVURJKSA-N 1 3 366.509 2.905 20 0 FFADHO CSC[C@H](NCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423193066 514075866 /nfs/dbraw/zinc/07/58/66/514075866.db2.gz WKWCACSJPATOKU-INIZCTEOSA-N 1 3 361.477 2.994 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416970143 514076109 /nfs/dbraw/zinc/07/61/09/514076109.db2.gz DNNVZCLLPLVDAT-MOPGFXCFSA-N 1 3 358.530 2.510 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000416971404 514077437 /nfs/dbraw/zinc/07/74/37/514077437.db2.gz GTKPWKHTYNILHZ-FXAWDEMLSA-N 1 3 358.530 2.776 20 0 FFADHO [NH3+]C1(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CCCCC1 ZINC000416971440 514077614 /nfs/dbraw/zinc/07/76/14/514077614.db2.gz GZSTVIWYYSLDAI-UHFFFAOYSA-N 1 3 358.530 2.654 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000416972537 514078569 /nfs/dbraw/zinc/07/85/69/514078569.db2.gz IQBSDSPPTYXGDF-NRFANRHFSA-N 1 3 366.509 2.959 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC1CCN(CCc2ccccc2)CC1 ZINC000416975060 514081787 /nfs/dbraw/zinc/08/17/87/514081787.db2.gz MGCZCMJSATVOBC-IBGZPJMESA-N 1 3 358.530 2.525 20 0 FFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420312826 514086088 /nfs/dbraw/zinc/08/60/88/514086088.db2.gz OYYHRVNFPGULAF-FNAHDJPLSA-N 1 3 357.542 2.522 20 0 FFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420312826 514086096 /nfs/dbraw/zinc/08/60/96/514086096.db2.gz OYYHRVNFPGULAF-FNAHDJPLSA-N 1 3 357.542 2.522 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321608 514091844 /nfs/dbraw/zinc/09/18/44/514091844.db2.gz DAEIAHLVLZNARB-RCCFBDPRSA-N 1 3 359.514 2.536 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000416985635 514093398 /nfs/dbraw/zinc/09/33/98/514093398.db2.gz YVEBHMXSJYJXHH-MJGOQNOKSA-N 1 3 358.530 2.776 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000416985632 514093594 /nfs/dbraw/zinc/09/35/94/514093594.db2.gz YVEBHMXSJYJXHH-IEBWSBKVSA-N 1 3 358.530 2.776 20 0 FFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345682 514103473 /nfs/dbraw/zinc/10/34/73/514103473.db2.gz WJQJZMMFKSOVHH-HGCSZEDPSA-N 1 3 359.558 2.781 20 0 FFADHO Brc1cccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420372102 514113934 /nfs/dbraw/zinc/11/39/34/514113934.db2.gz KZPRHQJISUTFPZ-OAHLLOKOSA-N 1 3 352.320 2.961 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccsc1 ZINC000417010713 514114862 /nfs/dbraw/zinc/11/48/62/514114862.db2.gz PZSLSUNRJVDVHD-PBHICJAKSA-N 1 3 352.548 2.900 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000420393186 514126967 /nfs/dbraw/zinc/12/69/67/514126967.db2.gz BULHYCPKXXCLDB-ZGXWSNOMSA-N 1 3 360.885 2.691 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417029340 514129338 /nfs/dbraw/zinc/12/93/38/514129338.db2.gz OZBZTJGDXIZTDO-HXUWFJFHSA-N 1 3 370.541 2.999 20 0 FFADHO COCC1(CN[C@@H](C)c2nc3ccc(Cl)cc3n2C)CC[NH2+]CC1 ZINC000423408828 514132609 /nfs/dbraw/zinc/13/26/09/514132609.db2.gz PDYLCJHRLUPPMD-ZDUSSCGKSA-N 1 3 350.894 2.894 20 0 FFADHO Cc1oc2ccccc2c1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414486581 514145446 /nfs/dbraw/zinc/14/54/46/514145446.db2.gz RFWLKZKILSOOJO-UHFFFAOYSA-N 1 3 357.498 2.627 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](CO)c2cccnc2)CC1 ZINC000449330203 514168714 /nfs/dbraw/zinc/16/87/14/514168714.db2.gz KKRXPXLIXGCVLT-GHTZIAJQSA-N 1 3 353.510 2.843 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)N(C)C)cc1 ZINC000449330367 514170447 /nfs/dbraw/zinc/17/04/47/514170447.db2.gz TZWZMOCPUZYQOI-UNMCSNQZSA-N 1 3 351.494 2.645 20 0 FFADHO CCc1nn(C)c(CC)c1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414545755 514172350 /nfs/dbraw/zinc/17/23/50/514172350.db2.gz FXRZDDDGCJTVEW-UHFFFAOYSA-N 1 3 370.541 2.662 20 0 FFADHO C[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000449352045 514176477 /nfs/dbraw/zinc/17/64/77/514176477.db2.gz RXVKBXHXKCDEBL-XMSQKQJNSA-N 1 3 351.494 2.554 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427319063 514182374 /nfs/dbraw/zinc/18/23/74/514182374.db2.gz GMFPZMGQFUSTCZ-ICSRJNTNSA-N 1 3 361.530 2.592 20 0 FFADHO CC(=O)NCCc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432427307 514191776 /nfs/dbraw/zinc/19/17/76/514191776.db2.gz YDDCAKABCLMTKS-ZWKOTPCHSA-N 1 3 361.530 2.517 20 0 FFADHO CC(=O)NCCc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432427307 514191778 /nfs/dbraw/zinc/19/17/78/514191778.db2.gz YDDCAKABCLMTKS-ZWKOTPCHSA-N 1 3 361.530 2.517 20 0 FFADHO N[C@H](CC(F)F)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423763943 514223033 /nfs/dbraw/zinc/22/30/33/514223033.db2.gz UYSLGUFLEVDGBF-OAHLLOKOSA-N 1 3 359.848 2.747 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000423778629 514225822 /nfs/dbraw/zinc/22/58/22/514225822.db2.gz HMGKFKZZIXBYCZ-AZUAARDMSA-N 1 3 354.498 2.546 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437772041 514232065 /nfs/dbraw/zinc/23/20/65/514232065.db2.gz ILAUBGHIQUXPKI-PKOBYXMFSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437772041 514232069 /nfs/dbraw/zinc/23/20/69/514232069.db2.gz ILAUBGHIQUXPKI-PKOBYXMFSA-N 1 3 350.551 2.957 20 0 FFADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)NCCN(C)C ZINC000437787543 514237039 /nfs/dbraw/zinc/23/70/39/514237039.db2.gz QSUVHUDPGKELBF-ZNMIVQPWSA-N 1 3 351.457 2.790 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000417218328 514240077 /nfs/dbraw/zinc/24/00/77/514240077.db2.gz SQTLULANVFOSKL-SFTDATJTSA-N 1 3 370.541 2.996 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000417220591 514241431 /nfs/dbraw/zinc/24/14/31/514241431.db2.gz LWYWNIGNWKDETN-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417222864 514243754 /nfs/dbraw/zinc/24/37/54/514243754.db2.gz QXGHMSBJTQXILD-UIFIKXQLSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@H]1C[C@@H](CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)CC[NH2+]1 ZINC000414700357 514247920 /nfs/dbraw/zinc/24/79/20/514247920.db2.gz JQFGHYBRQNXXST-HOTGVXAUSA-N 1 3 350.576 2.946 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000449550082 514249750 /nfs/dbraw/zinc/24/97/50/514249750.db2.gz CBMSWIGQUPNEHM-DYXWJJEUSA-N 1 3 357.542 2.811 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000449550082 514249756 /nfs/dbraw/zinc/24/97/56/514249756.db2.gz CBMSWIGQUPNEHM-DYXWJJEUSA-N 1 3 357.542 2.811 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417244576 514257538 /nfs/dbraw/zinc/25/75/38/514257538.db2.gz XKJIUDKHVQCVMZ-OXJNMPFZSA-N 1 3 354.498 2.871 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000417244576 514257544 /nfs/dbraw/zinc/25/75/44/514257544.db2.gz XKJIUDKHVQCVMZ-OXJNMPFZSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@@H]1C[C@@H](CN2CCN(CCOc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414742227 514268612 /nfs/dbraw/zinc/26/86/12/514268612.db2.gz SYMFAYFJSGRUJN-SJORKVTESA-N 1 3 351.922 2.725 20 0 FFADHO C[C@H]1C[C@H](CN2CCN(CCOc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414742224 514268802 /nfs/dbraw/zinc/26/88/02/514268802.db2.gz SYMFAYFJSGRUJN-DLBZAZTESA-N 1 3 351.922 2.725 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000414754117 514274793 /nfs/dbraw/zinc/27/47/93/514274793.db2.gz NHFBVKKWWTVBRL-INIZCTEOSA-N 1 3 357.420 2.638 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCC(F)(F)F)Cc2ccccc2)C1 ZINC000414754117 514274801 /nfs/dbraw/zinc/27/48/01/514274801.db2.gz NHFBVKKWWTVBRL-INIZCTEOSA-N 1 3 357.420 2.638 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])c(C)c2)CC1 ZINC000414755236 514274820 /nfs/dbraw/zinc/27/48/20/514274820.db2.gz SYUKDIXDZGLJAJ-UZLBHIALSA-N 1 3 373.545 2.728 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000417352103 514306568 /nfs/dbraw/zinc/30/65/68/514306568.db2.gz FJEBSNYYGJNZMU-IRLDBZIGSA-N 1 3 370.541 2.917 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CCC[NH2+]C1 ZINC000414829154 514314450 /nfs/dbraw/zinc/31/44/50/514314450.db2.gz NFBGCTPGXHXLQI-OLZOCXBDSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414829154 514314457 /nfs/dbraw/zinc/31/44/57/514314457.db2.gz NFBGCTPGXHXLQI-OLZOCXBDSA-N 1 3 354.292 2.755 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)c(OC)c1 ZINC000414832951 514315723 /nfs/dbraw/zinc/31/57/23/514315723.db2.gz FKHXXIBLQUZAHV-KDOFPFPSSA-N 1 3 363.502 2.918 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417372393 514318498 /nfs/dbraw/zinc/31/84/98/514318498.db2.gz VYWUCMNRAKEMEE-WMZOPIPTSA-N 1 3 366.575 2.975 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438334151 514357399 /nfs/dbraw/zinc/35/73/99/514357399.db2.gz YJPRVEISILDTTM-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438334151 514357404 /nfs/dbraw/zinc/35/74/04/514357404.db2.gz YJPRVEISILDTTM-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2ccc(Br)cc2F)CCCN1 ZINC000414954387 514374073 /nfs/dbraw/zinc/37/40/73/514374073.db2.gz LGXMQDUOQRJEDE-WBMJQRKESA-N 1 3 359.283 2.877 20 0 FFADHO FC(F)(F)c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414966654 514379587 /nfs/dbraw/zinc/37/95/87/514379587.db2.gz DOIIGXFIUNIFNN-CYBMUJFWSA-N 1 3 355.326 2.631 20 0 FFADHO CCc1oc2ccccc2c1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970399 514380147 /nfs/dbraw/zinc/38/01/47/514380147.db2.gz HJNUNGFNIOTNEL-KRWDZBQOSA-N 1 3 355.404 2.921 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2CN2C[C@@H](C)C[C@H](CO)C2)C1 ZINC000420928497 514380637 /nfs/dbraw/zinc/38/06/37/514380637.db2.gz ANRDYFOPYZOXPH-YRPNKDGESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2CN2C[C@@H](C)C[C@H](CO)C2)C1 ZINC000420928497 514380647 /nfs/dbraw/zinc/38/06/47/514380647.db2.gz ANRDYFOPYZOXPH-YRPNKDGESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2ccccc2C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)C1 ZINC000420928497 514380649 /nfs/dbraw/zinc/38/06/49/514380649.db2.gz ANRDYFOPYZOXPH-YRPNKDGESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2ccccc2C[N@H+]2C[C@@H](C)C[C@H](CO)C2)C1 ZINC000420928497 514380659 /nfs/dbraw/zinc/38/06/59/514380659.db2.gz ANRDYFOPYZOXPH-YRPNKDGESA-N 1 3 360.542 2.587 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3csc(C(=O)OC)c3)CC2)CC1 ZINC000420980483 514419656 /nfs/dbraw/zinc/41/96/56/514419656.db2.gz LSGHKKSEELHRQL-UHFFFAOYSA-N 1 3 365.543 2.527 20 0 FFADHO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415067759 514426659 /nfs/dbraw/zinc/42/66/59/514426659.db2.gz LLQLUVPJPILVPA-GOSISDBHSA-N 1 3 362.543 2.623 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000421018471 514440617 /nfs/dbraw/zinc/44/06/17/514440617.db2.gz MQYWTEFUFYFQLC-MOPGFXCFSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000421018471 514440624 /nfs/dbraw/zinc/44/06/24/514440624.db2.gz MQYWTEFUFYFQLC-MOPGFXCFSA-N 1 3 367.578 2.702 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCCC1 ZINC000417626173 514441560 /nfs/dbraw/zinc/44/15/60/514441560.db2.gz NICATGAPGZFNCN-QGZVFWFLSA-N 1 3 368.591 2.570 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000438965340 514474483 /nfs/dbraw/zinc/47/44/83/514474483.db2.gz RVEBQJBAHPIOIQ-GASCZTMLSA-N 1 3 351.457 2.982 20 0 FFADHO CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475009578 514520286 /nfs/dbraw/zinc/52/02/86/514520286.db2.gz KVAGWXQYKRFASG-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465947219 514529717 /nfs/dbraw/zinc/52/97/17/514529717.db2.gz IJZUUMQFZZDLCM-FQEVSTJZSA-N 1 3 372.557 2.649 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465947219 514529722 /nfs/dbraw/zinc/52/97/22/514529722.db2.gz IJZUUMQFZZDLCM-FQEVSTJZSA-N 1 3 372.557 2.649 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000466000706 514536343 /nfs/dbraw/zinc/53/63/43/514536343.db2.gz IQUJSUXALQNWGL-NUJGCVRESA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000466000706 514536348 /nfs/dbraw/zinc/53/63/48/514536348.db2.gz IQUJSUXALQNWGL-NUJGCVRESA-N 1 3 364.559 2.915 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000466012296 514539900 /nfs/dbraw/zinc/53/99/00/514539900.db2.gz RNEXPNCCWYEQIK-UHFFFAOYSA-N 1 3 366.509 2.969 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)cc1 ZINC000466028092 514542590 /nfs/dbraw/zinc/54/25/90/514542590.db2.gz WQNSODSDINECTD-FQEVSTJZSA-N 1 3 360.546 2.595 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)cc1 ZINC000466028092 514542598 /nfs/dbraw/zinc/54/25/98/514542598.db2.gz WQNSODSDINECTD-FQEVSTJZSA-N 1 3 360.546 2.595 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475118352 514563834 /nfs/dbraw/zinc/56/38/34/514563834.db2.gz NHWZCDVVELWRCI-TZIWHRDSSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475118352 514563838 /nfs/dbraw/zinc/56/38/38/514563838.db2.gz NHWZCDVVELWRCI-TZIWHRDSSA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)Cc1ccccc1 ZINC000466205553 514576151 /nfs/dbraw/zinc/57/61/51/514576151.db2.gz PONDXXUTRTZEJK-JRGCBEDISA-N 1 3 372.557 2.721 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475167225 514576955 /nfs/dbraw/zinc/57/69/55/514576955.db2.gz APLVJDZEKXEQLH-PWRODBHTSA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475167225 514576960 /nfs/dbraw/zinc/57/69/60/514576960.db2.gz APLVJDZEKXEQLH-PWRODBHTSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000466227974 514583310 /nfs/dbraw/zinc/58/33/10/514583310.db2.gz UDXMPOFSHGFVMK-OXQOHEQNSA-N 1 3 356.514 2.564 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)cc1 ZINC000453323910 514601438 /nfs/dbraw/zinc/60/14/38/514601438.db2.gz KBSNODKFZIKBBR-GSHUGGBRSA-N 1 3 372.557 2.928 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCN2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC000453331798 514601493 /nfs/dbraw/zinc/60/14/93/514601493.db2.gz HUMHUIPVZHSPBR-MRWPOJJOSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCN2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC000453331798 514601495 /nfs/dbraw/zinc/60/14/95/514601495.db2.gz HUMHUIPVZHSPBR-MRWPOJJOSA-N 1 3 355.526 2.635 20 0 FFADHO C[C@H]1[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCCN1C ZINC000466319245 514608134 /nfs/dbraw/zinc/60/81/34/514608134.db2.gz TYJVVSWNXGTEQZ-RJJVWVDVSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]1[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCCN1C ZINC000466319245 514608142 /nfs/dbraw/zinc/60/81/42/514608142.db2.gz TYJVVSWNXGTEQZ-RJJVWVDVSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000453371848 514611938 /nfs/dbraw/zinc/61/19/38/514611938.db2.gz YJECVEILWUMCSR-MDKPJZGXSA-N 1 3 372.513 2.931 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C2CC2)n1 ZINC000455616172 514637538 /nfs/dbraw/zinc/63/75/38/514637538.db2.gz IFBGUYLGJLPZGX-KRWDZBQOSA-N 1 3 359.518 2.839 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C2CC2)n1 ZINC000455616172 514637548 /nfs/dbraw/zinc/63/75/48/514637548.db2.gz IFBGUYLGJLPZGX-KRWDZBQOSA-N 1 3 359.518 2.839 20 0 FFADHO CC[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000508044242 514645846 /nfs/dbraw/zinc/64/58/46/514645846.db2.gz KYJWNBSVAGSJPM-HXUWFJFHSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN(C2CCC2)C1 ZINC000489072293 514695308 /nfs/dbraw/zinc/69/53/08/514695308.db2.gz JTSXTRYPUDAKIH-SJLPKXTDSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000479790253 514724373 /nfs/dbraw/zinc/72/43/73/514724373.db2.gz RMEVDZZUYQJGNK-QAPCUYQASA-N 1 3 350.482 2.602 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000479790252 514725866 /nfs/dbraw/zinc/72/58/66/514725866.db2.gz RMEVDZZUYQJGNK-MAUKXSAKSA-N 1 3 350.482 2.602 20 0 FFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000502646835 514727752 /nfs/dbraw/zinc/72/77/52/514727752.db2.gz APADIIYAYASXFE-BJLQDIEVSA-N 1 3 373.541 2.560 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 ZINC000461788941 514739031 /nfs/dbraw/zinc/73/90/31/514739031.db2.gz YMAVZSXBKRVKEV-CRAIPNDOSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000508330231 514745904 /nfs/dbraw/zinc/74/59/04/514745904.db2.gz GXODYNDIGIZOPO-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCN3CCC2CC3)[NH+]2CCCC2)cc1 ZINC000489194731 514746677 /nfs/dbraw/zinc/74/66/77/514746677.db2.gz FJKZIESLYGUYFM-HXUWFJFHSA-N 1 3 356.514 2.622 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[NH+]1CCCC1 ZINC000498126069 514771449 /nfs/dbraw/zinc/77/14/49/514771449.db2.gz MTKVKKIXUUVUNH-GBESFXJTSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000489270328 514776200 /nfs/dbraw/zinc/77/62/00/514776200.db2.gz NOIHPSRWOCVIBQ-HZEGPAAWSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000489270328 514776205 /nfs/dbraw/zinc/77/62/05/514776205.db2.gz NOIHPSRWOCVIBQ-HZEGPAAWSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000489270329 514777086 /nfs/dbraw/zinc/77/70/86/514777086.db2.gz NOIHPSRWOCVIBQ-PMXSJFBMSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000489270329 514777095 /nfs/dbraw/zinc/77/70/95/514777095.db2.gz NOIHPSRWOCVIBQ-PMXSJFBMSA-N 1 3 370.541 2.823 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)Cc1ccccc1 ZINC000498165021 514787828 /nfs/dbraw/zinc/78/78/28/514787828.db2.gz HYWQQEPZEFCHCX-PCCBWWKXSA-N 1 3 372.557 2.675 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000508479329 514792548 /nfs/dbraw/zinc/79/25/48/514792548.db2.gz WQRAHGRLMGPRMW-LJQANCHMSA-N 1 3 361.530 2.850 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000508479329 514792555 /nfs/dbraw/zinc/79/25/55/514792555.db2.gz WQRAHGRLMGPRMW-LJQANCHMSA-N 1 3 361.530 2.850 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000498194361 514795612 /nfs/dbraw/zinc/79/56/12/514795612.db2.gz DVUDEXMNUPBTNR-CKEIUWERSA-N 1 3 353.457 2.763 20 0 FFADHO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@H](N)CC(F)F ZINC000498202562 514802557 /nfs/dbraw/zinc/80/25/57/514802557.db2.gz VDDFSTQPNGXSTB-HZPDHXFCSA-N 1 3 353.457 2.558 20 0 FFADHO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H](N)CC(F)F ZINC000498202562 514802564 /nfs/dbraw/zinc/80/25/64/514802564.db2.gz VDDFSTQPNGXSTB-HZPDHXFCSA-N 1 3 353.457 2.558 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000502895504 514833784 /nfs/dbraw/zinc/83/37/84/514833784.db2.gz IHDFTWITJHYZRI-QUCCMNQESA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000502895504 514833794 /nfs/dbraw/zinc/83/37/94/514833794.db2.gz IHDFTWITJHYZRI-QUCCMNQESA-N 1 3 374.529 2.614 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC000458496322 514846106 /nfs/dbraw/zinc/84/61/06/514846106.db2.gz QBGPIZIGYWPNIZ-OAQYLSRUSA-N 1 3 362.562 2.911 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000508759329 514886799 /nfs/dbraw/zinc/88/67/99/514886799.db2.gz QGTFVWFGCZFXFT-FGTMMUONSA-N 1 3 361.530 2.723 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000508759329 514886811 /nfs/dbraw/zinc/88/68/11/514886811.db2.gz QGTFVWFGCZFXFT-FGTMMUONSA-N 1 3 361.530 2.723 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000467097886 514898442 /nfs/dbraw/zinc/89/84/42/514898442.db2.gz SQSITMWAFGGDIC-UHFFFAOYSA-N 1 3 358.530 2.561 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000458576443 514916633 /nfs/dbraw/zinc/91/66/33/514916633.db2.gz JFVXEXJLLXUZAI-VDGAXYAQSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000458576443 514916641 /nfs/dbraw/zinc/91/66/41/514916641.db2.gz JFVXEXJLLXUZAI-VDGAXYAQSA-N 1 3 356.514 2.558 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508898927 514946088 /nfs/dbraw/zinc/94/60/88/514946088.db2.gz MVOHDELGXUOMTC-HBFSDRIKSA-N 1 3 360.546 2.969 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000508898927 514946092 /nfs/dbraw/zinc/94/60/92/514946092.db2.gz MVOHDELGXUOMTC-HBFSDRIKSA-N 1 3 360.546 2.969 20 0 FFADHO CCN1C[C@H](C)N(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000498565623 514970235 /nfs/dbraw/zinc/97/02/35/514970235.db2.gz CHAIIQCZGHJNOF-UXHICEINSA-N 1 3 372.557 2.530 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)NC(C)(C)CCC[NH+](C)C)CC2)c1 ZINC000456161513 514992832 /nfs/dbraw/zinc/99/28/32/514992832.db2.gz DFDFWCUXFTZQBJ-UHFFFAOYSA-N 1 3 374.573 2.744 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)N1CCc2ccccc2C1 ZINC000485398411 515024151 /nfs/dbraw/zinc/02/41/51/515024151.db2.gz KPKGCTGPALCGPH-NQIIRXRSSA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)N1CCc2ccccc2C1 ZINC000485398411 515024159 /nfs/dbraw/zinc/02/41/59/515024159.db2.gz KPKGCTGPALCGPH-NQIIRXRSSA-N 1 3 372.557 2.807 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000503425136 515027674 /nfs/dbraw/zinc/02/76/74/515027674.db2.gz HKHKACGANMVQPP-WYNBGMTASA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@@H](C)C1 ZINC000489938808 515039913 /nfs/dbraw/zinc/03/99/13/515039913.db2.gz PLIICCNBEVBHAZ-LSNMZSPYSA-N 1 3 370.541 2.804 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000476461414 515057545 /nfs/dbraw/zinc/05/75/45/515057545.db2.gz PEVXUCZGQRVYQY-NRFANRHFSA-N 1 3 371.525 2.609 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000503501671 515057744 /nfs/dbraw/zinc/05/77/44/515057744.db2.gz GWGSLFOPWRJWBM-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000458771592 515079243 /nfs/dbraw/zinc/07/92/43/515079243.db2.gz IAXOQKLOLVVPON-IHPCNDPISA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000458771592 515079248 /nfs/dbraw/zinc/07/92/48/515079248.db2.gz IAXOQKLOLVVPON-IHPCNDPISA-N 1 3 358.530 2.774 20 0 FFADHO Cc1cccc2c1[nH+]cc(C)c2N1CCN(C(=O)CN2CCCC2)CC1 ZINC000462505142 515092817 /nfs/dbraw/zinc/09/28/17/515092817.db2.gz UHQSOIAFYXDLBJ-UHFFFAOYSA-N 1 3 352.482 2.596 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000490229749 515147235 /nfs/dbraw/zinc/14/72/35/515147235.db2.gz ISDHXARBZQBUCU-UNMCSNQZSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000490229749 515147246 /nfs/dbraw/zinc/14/72/46/515147246.db2.gz ISDHXARBZQBUCU-UNMCSNQZSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000468032164 515203380 /nfs/dbraw/zinc/20/33/80/515203380.db2.gz ZMDKBIUNWJFSMR-KMFMINBZSA-N 1 3 369.431 2.736 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000468032164 515203387 /nfs/dbraw/zinc/20/33/87/515203387.db2.gz ZMDKBIUNWJFSMR-KMFMINBZSA-N 1 3 369.431 2.736 20 0 FFADHO CN1CCC2(CCCN2C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472305321 515216338 /nfs/dbraw/zinc/21/63/38/515216338.db2.gz JZYQPFMBDWQHHC-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC2(CCCN2C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472305321 515216351 /nfs/dbraw/zinc/21/63/51/515216351.db2.gz JZYQPFMBDWQHHC-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccco1 ZINC000509605498 515253295 /nfs/dbraw/zinc/25/32/95/515253295.db2.gz WPIZHDVJJRIMHV-BSDSXHPESA-N 1 3 362.518 2.977 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000468296358 515300634 /nfs/dbraw/zinc/30/06/34/515300634.db2.gz MIGYOIWFPJXHMI-UHFFFAOYSA-N 1 3 367.896 2.696 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000486060618 515317862 /nfs/dbraw/zinc/31/78/62/515317862.db2.gz HHUKSRHWACKJPG-YOEHRIQHSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000486060618 515317870 /nfs/dbraw/zinc/31/78/70/515317870.db2.gz HHUKSRHWACKJPG-YOEHRIQHSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000463020499 515336401 /nfs/dbraw/zinc/33/64/01/515336401.db2.gz MQDGZANMCOSWNX-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000468469419 515372359 /nfs/dbraw/zinc/37/23/59/515372359.db2.gz LAVVBYZLUUYJPV-VQTJNVASSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000468469419 515372366 /nfs/dbraw/zinc/37/23/66/515372366.db2.gz LAVVBYZLUUYJPV-VQTJNVASSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000477219489 515373046 /nfs/dbraw/zinc/37/30/46/515373046.db2.gz HENZPKDMUPGXRZ-CZAAIQMYSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000477219489 515373058 /nfs/dbraw/zinc/37/30/58/515373058.db2.gz HENZPKDMUPGXRZ-CZAAIQMYSA-N 1 3 370.541 2.679 20 0 FFADHO CC[C@@H](C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[NH+](CC)CC ZINC000468490149 515385325 /nfs/dbraw/zinc/38/53/25/515385325.db2.gz VQNCROZEIUAWCZ-LEWJYISDSA-N 1 3 374.573 2.602 20 0 FFADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000468555927 515412949 /nfs/dbraw/zinc/41/29/49/515412949.db2.gz SYYJDOCNVSLUTN-LBPRGKRZSA-N 1 3 359.283 2.566 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459252407 515425270 /nfs/dbraw/zinc/42/52/70/515425270.db2.gz GXQVZLHLISFCNE-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459252407 515425279 /nfs/dbraw/zinc/42/52/79/515425279.db2.gz GXQVZLHLISFCNE-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459256514 515425974 /nfs/dbraw/zinc/42/59/74/515425974.db2.gz IXDRLGJLQXUXIG-OAQYLSRUSA-N 1 3 374.573 2.924 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459256514 515425982 /nfs/dbraw/zinc/42/59/82/515425982.db2.gz IXDRLGJLQXUXIG-OAQYLSRUSA-N 1 3 374.573 2.924 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454373528 515439959 /nfs/dbraw/zinc/43/99/59/515439959.db2.gz RDFGJUHPRZYCIS-MJGOQNOKSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454373528 515439967 /nfs/dbraw/zinc/43/99/67/515439967.db2.gz RDFGJUHPRZYCIS-MJGOQNOKSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOCC2CCCC2)CC1 ZINC000459360583 515497624 /nfs/dbraw/zinc/49/76/24/515497624.db2.gz GAKKSTICOSJRKB-UHFFFAOYSA-N 1 3 367.578 2.609 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000481951697 515526163 /nfs/dbraw/zinc/52/61/63/515526163.db2.gz RTMULVGXUWPJFH-LZQZEXGQSA-N 1 3 351.922 2.643 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000481951697 515526174 /nfs/dbraw/zinc/52/61/74/515526174.db2.gz RTMULVGXUWPJFH-LZQZEXGQSA-N 1 3 351.922 2.643 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000473202297 515534869 /nfs/dbraw/zinc/53/48/69/515534869.db2.gz AJNPEKNOIRVJQX-RBBKRZOGSA-N 1 3 367.537 2.910 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000473202297 515534876 /nfs/dbraw/zinc/53/48/76/515534876.db2.gz AJNPEKNOIRVJQX-RBBKRZOGSA-N 1 3 367.537 2.910 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000486564289 515538398 /nfs/dbraw/zinc/53/83/98/515538398.db2.gz IVAIHYLXOOFYLV-UHFFFAOYSA-N 1 3 367.493 2.957 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000486577584 515547032 /nfs/dbraw/zinc/54/70/32/515547032.db2.gz ARJDTISYARRADM-UZKOGDIHSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000486577584 515547041 /nfs/dbraw/zinc/54/70/41/515547041.db2.gz ARJDTISYARRADM-UZKOGDIHSA-N 1 3 355.526 2.699 20 0 FFADHO c1cc(N2CCC([NH2+]CC3(CN4CCOCC4)CCCCC3)CC2)ccn1 ZINC000459450870 515561734 /nfs/dbraw/zinc/56/17/34/515561734.db2.gz YQKDGTCMPNWJBJ-UHFFFAOYSA-N 1 3 372.557 2.923 20 0 FFADHO C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1=CC[N@H+](C)CC1 ZINC000510548135 515581963 /nfs/dbraw/zinc/58/19/63/515581963.db2.gz PZOXBMMZLXWZIF-NVXWUHKLSA-N 1 3 362.543 2.835 20 0 FFADHO C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000510548135 515581967 /nfs/dbraw/zinc/58/19/67/515581967.db2.gz PZOXBMMZLXWZIF-NVXWUHKLSA-N 1 3 362.543 2.835 20 0 FFADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000500134887 515603495 /nfs/dbraw/zinc/60/34/95/515603495.db2.gz TVAKBIBEXRQUGR-VAMGGRTRSA-N 1 3 351.579 2.928 20 0 FFADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000500134887 515603501 /nfs/dbraw/zinc/60/35/01/515603501.db2.gz TVAKBIBEXRQUGR-VAMGGRTRSA-N 1 3 351.579 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccc1Cl ZINC000477832570 515608245 /nfs/dbraw/zinc/60/82/45/515608245.db2.gz YXZDFEZMXSNHLC-QGZVFWFLSA-N 1 3 366.937 2.898 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccc1Cl ZINC000477832570 515608251 /nfs/dbraw/zinc/60/82/51/515608251.db2.gz YXZDFEZMXSNHLC-QGZVFWFLSA-N 1 3 366.937 2.898 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C[NH+]1CCCC1 ZINC000454615349 515610940 /nfs/dbraw/zinc/61/09/40/515610940.db2.gz JCKCFGCKEANBTA-VQTJNVASSA-N 1 3 372.557 2.882 20 0 FFADHO CN(C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000463779081 515611399 /nfs/dbraw/zinc/61/13/99/515611399.db2.gz QVTXCTFTZBNQMH-FQEVSTJZSA-N 1 3 355.526 2.984 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(OC)cc1 ZINC000505789706 515671657 /nfs/dbraw/zinc/67/16/57/515671657.db2.gz MADUGUOHBWPEEN-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(OC)cc1 ZINC000505789706 515671667 /nfs/dbraw/zinc/67/16/67/515671667.db2.gz MADUGUOHBWPEEN-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H](O)CN1CCCC1)CC2 ZINC000493934085 515690973 /nfs/dbraw/zinc/69/09/73/515690973.db2.gz FTJISFZLJQQEBI-JKSUJKDBSA-N 1 3 353.304 2.791 20 0 FFADHO Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H](O)CN1CCCC1)CC2 ZINC000493934084 515691982 /nfs/dbraw/zinc/69/19/82/515691982.db2.gz FTJISFZLJQQEBI-HZPDHXFCSA-N 1 3 353.304 2.791 20 0 FFADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000482566700 515720970 /nfs/dbraw/zinc/72/09/70/515720970.db2.gz NAFAKSJVTVDTBL-UKRRQHHQSA-N 1 3 366.575 2.987 20 0 FFADHO CN(CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000482572750 515723589 /nfs/dbraw/zinc/72/35/89/515723589.db2.gz CKGUQCWMSIFANO-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000482572750 515723595 /nfs/dbraw/zinc/72/35/95/515723595.db2.gz CKGUQCWMSIFANO-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO COC[C@@H](CC(C)C)[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633249 515745941 /nfs/dbraw/zinc/74/59/41/515745941.db2.gz HFWQMXNXWJWHCI-WOJBJXKFSA-N 1 3 361.530 2.535 20 0 FFADHO COC[C@@H](CC(C)C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633249 515745947 /nfs/dbraw/zinc/74/59/47/515745947.db2.gz HFWQMXNXWJWHCI-WOJBJXKFSA-N 1 3 361.530 2.535 20 0 FFADHO COC[C@@H](CC(C)C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633249 515745955 /nfs/dbraw/zinc/74/59/55/515745955.db2.gz HFWQMXNXWJWHCI-WOJBJXKFSA-N 1 3 361.530 2.535 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNCc2cn3ccc(Br)cc3n2)C1 ZINC000459724260 515771168 /nfs/dbraw/zinc/77/11/68/515771168.db2.gz AKNKUBMMLOFFCC-ZDUSSCGKSA-N 1 3 351.292 2.918 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNCc2cn3ccc(Br)cc3n2)C1 ZINC000459724260 515771156 /nfs/dbraw/zinc/77/11/56/515771156.db2.gz AKNKUBMMLOFFCC-ZDUSSCGKSA-N 1 3 351.292 2.918 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000482885484 515836863 /nfs/dbraw/zinc/83/68/63/515836863.db2.gz DONJWBVNDGSNPM-UYAOXDASSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@H]1CN(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000494477484 515855905 /nfs/dbraw/zinc/85/59/05/515855905.db2.gz XPFRRAVXQHNELI-KBRMVUAJSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@H]1CN(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000494477484 515855919 /nfs/dbraw/zinc/85/59/19/515855919.db2.gz XPFRRAVXQHNELI-KBRMVUAJSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454972220 515866572 /nfs/dbraw/zinc/86/65/72/515866572.db2.gz MCXOSJRUJISMNO-RBUKOAKNSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454972220 515866583 /nfs/dbraw/zinc/86/65/83/515866583.db2.gz MCXOSJRUJISMNO-RBUKOAKNSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000487534762 515895883 /nfs/dbraw/zinc/89/58/83/515895883.db2.gz HJDXYRUOXKZJJW-RCCFBDPRSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccco1 ZINC000494648602 515908904 /nfs/dbraw/zinc/90/89/04/515908904.db2.gz NMCMUDQDVPFCDG-BBWFWOEESA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccco1 ZINC000494648602 515908915 /nfs/dbraw/zinc/90/89/15/515908915.db2.gz NMCMUDQDVPFCDG-BBWFWOEESA-N 1 3 350.507 2.740 20 0 FFADHO C[C@H](NC1(CNC(=O)CC[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000494656517 515913463 /nfs/dbraw/zinc/91/34/63/515913463.db2.gz VPJRQWMBDZMPGP-HKUYNNGSSA-N 1 3 359.514 2.535 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(CNC(C)=O)CC2)CC1 ZINC000511662660 515986971 /nfs/dbraw/zinc/98/69/71/515986971.db2.gz BFQPDEUNHQOBHI-UHFFFAOYSA-N 1 3 372.557 2.567 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487816888 515989659 /nfs/dbraw/zinc/98/96/59/515989659.db2.gz FEBQWDOXMTZWOD-OTWHNJEPSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487816888 515989670 /nfs/dbraw/zinc/98/96/70/515989670.db2.gz FEBQWDOXMTZWOD-OTWHNJEPSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H](CNC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000487844123 516004651 /nfs/dbraw/zinc/00/46/51/516004651.db2.gz VQQQKPIUYHDWDH-VMXHOPILSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H](CNC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000487844123 516004661 /nfs/dbraw/zinc/00/46/61/516004661.db2.gz VQQQKPIUYHDWDH-VMXHOPILSA-N 1 3 350.551 2.621 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506933338 516027625 /nfs/dbraw/zinc/02/76/25/516027625.db2.gz OGBBHRYNWPPIMF-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506933338 516027633 /nfs/dbraw/zinc/02/76/33/516027633.db2.gz OGBBHRYNWPPIMF-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460120290 516031569 /nfs/dbraw/zinc/03/15/69/516031569.db2.gz FPILNYOZDIZRMK-HKBOAZHASA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000460120290 516031577 /nfs/dbraw/zinc/03/15/77/516031577.db2.gz FPILNYOZDIZRMK-HKBOAZHASA-N 1 3 370.541 2.634 20 0 FFADHO Cc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000474455771 516053143 /nfs/dbraw/zinc/05/31/43/516053143.db2.gz KFXSJKRQAOHBLH-UHFFFAOYSA-N 1 3 363.933 2.866 20 0 FFADHO Cc1ccc(CCC[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000474470743 516058674 /nfs/dbraw/zinc/05/86/74/516058674.db2.gz LPOTWWSOFWNFKA-UHFFFAOYSA-N 1 3 352.526 2.860 20 0 FFADHO CN1CCCN(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495082787 516059269 /nfs/dbraw/zinc/05/92/69/516059269.db2.gz XSJQMZYHBHTNED-NQIIRXRSSA-N 1 3 363.521 2.911 20 0 FFADHO CC(C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)[NH+]1CCC(C)CC1 ZINC000457697325 516077969 /nfs/dbraw/zinc/07/79/69/516077969.db2.gz XUGSTWZITFLMTI-TZIWHRDSSA-N 1 3 364.578 2.870 20 0 FFADHO Cn1ccnc1COc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000470017352 516081672 /nfs/dbraw/zinc/08/16/72/516081672.db2.gz JXKUSXHEGKNNRL-HXUWFJFHSA-N 1 3 354.498 2.963 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000488035566 516089350 /nfs/dbraw/zinc/08/93/50/516089350.db2.gz OPFFQKRUINZCBY-QFUCXCTJSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000488035566 516089359 /nfs/dbraw/zinc/08/93/59/516089359.db2.gz OPFFQKRUINZCBY-QFUCXCTJSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457727589 516103221 /nfs/dbraw/zinc/10/32/21/516103221.db2.gz GBDWIWCIPFXKLK-QUCCMNQESA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457727589 516103224 /nfs/dbraw/zinc/10/32/24/516103224.db2.gz GBDWIWCIPFXKLK-QUCCMNQESA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501507009 516131023 /nfs/dbraw/zinc/13/10/23/516131023.db2.gz WVVMNABYHOCZBT-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501507009 516131031 /nfs/dbraw/zinc/13/10/31/516131031.db2.gz WVVMNABYHOCZBT-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000479303064 516143202 /nfs/dbraw/zinc/14/32/02/516143202.db2.gz AKDAWTZZOBIEFF-KURKYZTESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000501548533 516148005 /nfs/dbraw/zinc/14/80/05/516148005.db2.gz FHVAOUTZKFEFET-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465441477 516153445 /nfs/dbraw/zinc/15/34/45/516153445.db2.gz SNZSVKWKFBELJW-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465441477 516153451 /nfs/dbraw/zinc/15/34/51/516153451.db2.gz SNZSVKWKFBELJW-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000465443988 516155186 /nfs/dbraw/zinc/15/51/86/516155186.db2.gz CPBXRMUCPSJILA-WJFTUGDTSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000465443988 516155194 /nfs/dbraw/zinc/15/51/94/516155194.db2.gz CPBXRMUCPSJILA-WJFTUGDTSA-N 1 3 352.567 2.869 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000483674430 516164784 /nfs/dbraw/zinc/16/47/84/516164784.db2.gz VZKXUQRTZJRZCM-OAQYLSRUSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479379338 516170603 /nfs/dbraw/zinc/17/06/03/516170603.db2.gz RQKPIKZYLPDBKH-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479379338 516170610 /nfs/dbraw/zinc/17/06/10/516170610.db2.gz RQKPIKZYLPDBKH-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCCC[C@H]1C ZINC000483714543 516183840 /nfs/dbraw/zinc/18/38/40/516183840.db2.gz OPEAWPWLGJWBEL-SJORKVTESA-N 1 3 350.551 2.956 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000470294453 516197135 /nfs/dbraw/zinc/19/71/35/516197135.db2.gz BYQZSMMQFUDLHM-UXHICEINSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)C[NH+]1CCCCC1 ZINC000488412817 516218139 /nfs/dbraw/zinc/21/81/39/516218139.db2.gz DLMMFNHVKQMITP-MSOLQXFVSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000465676949 516226763 /nfs/dbraw/zinc/22/67/63/516226763.db2.gz VSVDSYYKNAYTAD-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000465676949 516226764 /nfs/dbraw/zinc/22/67/64/516226764.db2.gz VSVDSYYKNAYTAD-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000465719185 516238567 /nfs/dbraw/zinc/23/85/67/516238567.db2.gz ILQFIYYJFHQDMK-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CN1C1CC1 ZINC000488496651 516241253 /nfs/dbraw/zinc/24/12/53/516241253.db2.gz KCSLNXWBBWEQGH-ZWCUEREDSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CN1C1CC1 ZINC000488496651 516241262 /nfs/dbraw/zinc/24/12/62/516241262.db2.gz KCSLNXWBBWEQGH-ZWCUEREDSA-N 1 3 370.541 2.966 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000465781664 516254676 /nfs/dbraw/zinc/25/46/76/516254676.db2.gz ISQRAZYFXHBXLU-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000465781664 516254679 /nfs/dbraw/zinc/25/46/79/516254679.db2.gz ISQRAZYFXHBXLU-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCN1CC=C(C)CC1)[NH+](C)C ZINC000501940112 516269361 /nfs/dbraw/zinc/26/93/61/516269361.db2.gz QZLIXYPQUPGCAR-ICSRJNTNSA-N 1 3 358.530 2.937 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000502148777 516310819 /nfs/dbraw/zinc/31/08/19/516310819.db2.gz NWHYBVAJUAVSIL-RMVXJAJNSA-N 1 3 370.541 2.775 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512611038 516312518 /nfs/dbraw/zinc/31/25/18/516312518.db2.gz HFCSORQISUQRMX-FDFHNCONSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512611038 516312523 /nfs/dbraw/zinc/31/25/23/516312523.db2.gz HFCSORQISUQRMX-FDFHNCONSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512611038 516312527 /nfs/dbraw/zinc/31/25/27/516312527.db2.gz HFCSORQISUQRMX-FDFHNCONSA-N 1 3 371.569 2.988 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC000554255316 516347424 /nfs/dbraw/zinc/34/74/24/516347424.db2.gz SPBDEMXDMZKESF-QGZVFWFLSA-N 1 3 350.482 2.602 20 0 FFADHO CN1CC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)[C@H]1c1ccccc1 ZINC000557662452 516366026 /nfs/dbraw/zinc/36/60/26/516366026.db2.gz DHAIZOFQELJRIN-HSALFYBXSA-N 1 3 373.566 2.766 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000523146295 516397342 /nfs/dbraw/zinc/39/73/42/516397342.db2.gz WALUJHFFZNZIDU-UYAOXDASSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000523146295 516397349 /nfs/dbraw/zinc/39/73/49/516397349.db2.gz WALUJHFFZNZIDU-UYAOXDASSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000561151806 516410570 /nfs/dbraw/zinc/41/05/70/516410570.db2.gz WXCOVMJVGPMQHV-HOJAQTOUSA-N 1 3 358.530 2.819 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCN(CC3(O)CCC(c4ccccc4)CC3)CC2)C1 ZINC000528415918 516419648 /nfs/dbraw/zinc/41/96/48/516419648.db2.gz JEUNMJSYPQUPOA-OOMBGRCJSA-N 1 3 371.569 2.787 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCN(CC3(O)CCC(c4ccccc4)CC3)CC2)C1 ZINC000528415918 516419656 /nfs/dbraw/zinc/41/96/56/516419656.db2.gz JEUNMJSYPQUPOA-OOMBGRCJSA-N 1 3 371.569 2.787 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+](CC)C(C)C)N1CCc2ccccc2C1 ZINC000523291811 516425433 /nfs/dbraw/zinc/42/54/33/516425433.db2.gz FDIOGMBYMHTKAB-HXUWFJFHSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+](CC)C(C)C)N1CCc2ccccc2C1 ZINC000523291811 516425444 /nfs/dbraw/zinc/42/54/44/516425444.db2.gz FDIOGMBYMHTKAB-HXUWFJFHSA-N 1 3 360.546 2.853 20 0 FFADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000523366146 516451881 /nfs/dbraw/zinc/45/18/81/516451881.db2.gz ZJNHYPIFSDQKON-LJQANCHMSA-N 1 3 352.482 2.994 20 0 FFADHO O=C1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000540360495 516526070 /nfs/dbraw/zinc/52/60/70/516526070.db2.gz RXXYQEWLSUKXGL-PCCBWWKXSA-N 1 3 353.510 2.607 20 0 FFADHO CS(=O)(=O)CC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000551029572 516531460 /nfs/dbraw/zinc/53/14/60/516531460.db2.gz KLZSFXMSWULPLV-UHFFFAOYSA-N 1 3 356.576 2.834 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536136070 516645736 /nfs/dbraw/zinc/64/57/36/516645736.db2.gz KSXNTHXUBWQTOE-UMGGQSCQSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536136070 516645743 /nfs/dbraw/zinc/64/57/43/516645743.db2.gz KSXNTHXUBWQTOE-UMGGQSCQSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000518403800 516647460 /nfs/dbraw/zinc/64/74/60/516647460.db2.gz WIDVQVHHHWTFJC-HBFSDRIKSA-N 1 3 358.530 2.996 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c2cccs2)CC1 ZINC000518497231 516681280 /nfs/dbraw/zinc/68/12/80/516681280.db2.gz DLPZUIPQOCYQLN-BRWVUGGUSA-N 1 3 364.559 2.818 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccco1 ZINC000558368495 516706830 /nfs/dbraw/zinc/70/68/30/516706830.db2.gz BPAMGEMTLDQXAL-CVEARBPZSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524474184 516731619 /nfs/dbraw/zinc/73/16/19/516731619.db2.gz IROAYZKFGDULAJ-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524474184 516731628 /nfs/dbraw/zinc/73/16/28/516731628.db2.gz IROAYZKFGDULAJ-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000519013620 516855610 /nfs/dbraw/zinc/85/56/10/516855610.db2.gz NJOKXFCUKPKLLI-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccsc1Cl ZINC000551778658 516867340 /nfs/dbraw/zinc/86/73/40/516867340.db2.gz LVTSBTKPZOYWMG-AWEZNQCLSA-N 1 3 373.950 2.655 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccsc1Cl ZINC000551778658 516867344 /nfs/dbraw/zinc/86/73/44/516867344.db2.gz LVTSBTKPZOYWMG-AWEZNQCLSA-N 1 3 373.950 2.655 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000536641583 516868485 /nfs/dbraw/zinc/86/84/85/516868485.db2.gz SMYDIZOSEXHBQK-UHFFFAOYSA-N 1 3 356.514 2.693 20 0 FFADHO CN(CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)Cc1ccccc1 ZINC000514221382 516909813 /nfs/dbraw/zinc/90/98/13/516909813.db2.gz HGNCGSTWHQQAIR-FQEVSTJZSA-N 1 3 360.546 2.928 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000514590844 516950753 /nfs/dbraw/zinc/95/07/53/516950753.db2.gz LARMEJRKAFGPQW-RBUKOAKNSA-N 1 3 362.562 2.720 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(C)CCCCC3)CC2)CC1 ZINC000562239623 516975890 /nfs/dbraw/zinc/97/58/90/516975890.db2.gz USXDAMLXCNRLPE-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCN3C3CC3)C2)s1 ZINC000552004046 517020177 /nfs/dbraw/zinc/02/01/77/517020177.db2.gz OAAWHXYBGOBUDW-APWZRJJASA-N 1 3 361.555 2.964 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCN3C3CC3)C2)s1 ZINC000552004046 517020185 /nfs/dbraw/zinc/02/01/85/517020185.db2.gz OAAWHXYBGOBUDW-APWZRJJASA-N 1 3 361.555 2.964 20 0 FFADHO CC(C)[C@H]1CNCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000529280512 517048148 /nfs/dbraw/zinc/04/81/48/517048148.db2.gz BBRKGOMNCYWYTF-CVEARBPZSA-N 1 3 350.532 2.524 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCCS2(=O)=O)CC1 ZINC000552065725 517060060 /nfs/dbraw/zinc/06/00/60/517060060.db2.gz LQFJYFDCPZQNGV-MHJFOBGBSA-N 1 3 364.555 2.987 20 0 FFADHO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000552075282 517065707 /nfs/dbraw/zinc/06/57/07/517065707.db2.gz RFJOGWWRORABRW-QWHCGFSZSA-N 1 3 367.563 2.916 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000514849344 517088804 /nfs/dbraw/zinc/08/88/04/517088804.db2.gz NEPJHAGJCDMVLT-WBVHZDCISA-N 1 3 364.559 2.820 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000514849341 517089885 /nfs/dbraw/zinc/08/98/85/517089885.db2.gz NEPJHAGJCDMVLT-DOTOQJQBSA-N 1 3 364.559 2.820 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](CO)Cc2ccco2)CC1 ZINC000532674713 517091941 /nfs/dbraw/zinc/09/19/41/517091941.db2.gz AIBNNVPQLGWDKT-IBGZPJMESA-N 1 3 371.525 2.752 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000545340347 517184959 /nfs/dbraw/zinc/18/49/59/517184959.db2.gz IVMUNOPVIUPJBG-QUCCMNQESA-N 1 3 360.546 2.848 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000545340347 517184970 /nfs/dbraw/zinc/18/49/70/517184970.db2.gz IVMUNOPVIUPJBG-QUCCMNQESA-N 1 3 360.546 2.848 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000541822070 517232600 /nfs/dbraw/zinc/23/26/00/517232600.db2.gz CAUISFVMJKZIGQ-FXAWDEMLSA-N 1 3 360.546 2.969 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000541822072 517233243 /nfs/dbraw/zinc/23/32/43/517233243.db2.gz CAUISFVMJKZIGQ-PXNSSMCTSA-N 1 3 360.546 2.969 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H](C(C)C)N2CCCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000541841848 517245233 /nfs/dbraw/zinc/24/52/33/517245233.db2.gz LWGXBTWANPPTBG-KSZLIROESA-N 1 3 353.576 2.535 20 0 FFADHO C[C@H](NC(=O)CCN(C)c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541855274 517251838 /nfs/dbraw/zinc/25/18/38/517251838.db2.gz OZFTUTQEBZSKNR-AZUAARDMSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@H](NC(=O)CCN(C)c1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541855274 517251848 /nfs/dbraw/zinc/25/18/48/517251848.db2.gz OZFTUTQEBZSKNR-AZUAARDMSA-N 1 3 366.509 2.935 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093617 517272348 /nfs/dbraw/zinc/27/23/48/517272348.db2.gz CNWKAWBZALTVBD-RLLQIKCJSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520093617 517272355 /nfs/dbraw/zinc/27/23/55/517272355.db2.gz CNWKAWBZALTVBD-RLLQIKCJSA-N 1 3 359.489 2.781 20 0 FFADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000542027082 517345185 /nfs/dbraw/zinc/34/51/85/517345185.db2.gz UPKXIQYAZPGVOO-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc12 ZINC000562729551 517348763 /nfs/dbraw/zinc/34/87/63/517348763.db2.gz JUSIUOKTRBOWCX-UHFFFAOYSA-N 1 3 356.514 2.783 20 0 FFADHO CCOC(=O)Cn1nc(C)c(CN2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000526114230 517352232 /nfs/dbraw/zinc/35/22/32/517352232.db2.gz RNKGYGSPHTXAQI-UHFFFAOYSA-N 1 3 364.534 2.615 20 0 FFADHO CCOC(=O)Cn1nc(C)c(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000526114230 517352245 /nfs/dbraw/zinc/35/22/45/517352245.db2.gz RNKGYGSPHTXAQI-UHFFFAOYSA-N 1 3 364.534 2.615 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc2ccccn12 ZINC000533348180 517421101 /nfs/dbraw/zinc/42/11/01/517421101.db2.gz QHCOCFVMYCBENB-UHFFFAOYSA-N 1 3 369.557 2.962 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000556440821 517430646 /nfs/dbraw/zinc/43/06/46/517430646.db2.gz FMNOYJVHLGXXSG-UYAOXDASSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000556440821 517430658 /nfs/dbraw/zinc/43/06/58/517430658.db2.gz FMNOYJVHLGXXSG-UYAOXDASSA-N 1 3 358.530 2.948 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533430621 517457846 /nfs/dbraw/zinc/45/78/46/517457846.db2.gz SIAQZELMSMWGSH-DFQSSKMNSA-N 1 3 365.562 2.501 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@@H](NCCC(=O)NC(C)(C)C)c1ccccc1O2 ZINC000538294309 517546763 /nfs/dbraw/zinc/54/67/63/517546763.db2.gz SVQQTIVMJUZOLM-QGZVFWFLSA-N 1 3 359.514 2.869 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H](C)C[NH+]3CCCCC3)c2cc1C ZINC000562985741 517557312 /nfs/dbraw/zinc/55/73/12/517557312.db2.gz RFRNXCMXJMBXDU-LPHOPBHVSA-N 1 3 358.530 2.726 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@H](C)CN3CCCCC3)c2cc1C ZINC000562985741 517557319 /nfs/dbraw/zinc/55/73/19/517557319.db2.gz RFRNXCMXJMBXDU-LPHOPBHVSA-N 1 3 358.530 2.726 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H](C)C[NH+]3CCCCC3)c2cc1C ZINC000562985742 517557871 /nfs/dbraw/zinc/55/78/71/517557871.db2.gz RFRNXCMXJMBXDU-QFBILLFUSA-N 1 3 358.530 2.726 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@H](C)CN3CCCCC3)c2cc1C ZINC000562985742 517557883 /nfs/dbraw/zinc/55/78/83/517557883.db2.gz RFRNXCMXJMBXDU-QFBILLFUSA-N 1 3 358.530 2.726 20 0 FFADHO O=C(CC[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)Nc1cccc(Cl)c1 ZINC000562993890 517566854 /nfs/dbraw/zinc/56/68/54/517566854.db2.gz QZNZDWKGHBTVBR-HNNXBMFYSA-N 1 3 365.905 2.759 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1=CCN(C)CC1 ZINC000563013985 517583951 /nfs/dbraw/zinc/58/39/51/517583951.db2.gz OECSOHDCWSHNGN-DOMZBBRYSA-N 1 3 359.297 2.973 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc2)CC1 ZINC000542488513 517590800 /nfs/dbraw/zinc/59/08/00/517590800.db2.gz TUKRLQOGIOQXHH-QGZVFWFLSA-N 1 3 360.546 2.929 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)([NH+](C)C)C1 ZINC000533810513 517623508 /nfs/dbraw/zinc/62/35/08/517623508.db2.gz NXCUVNJVXONMRL-SYYKKAFVSA-N 1 3 374.573 2.969 20 0 FFADHO COc1ccc(C[C@@H](C)CNC[C@H](O)C[NH+]2CCC(C)CC2)cc1F ZINC000546336255 517644335 /nfs/dbraw/zinc/64/43/35/517644335.db2.gz PFDHHQFHJZMRKG-AEFFLSMTSA-N 1 3 352.494 2.695 20 0 FFADHO CCN(CC)c1ncc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530247946 517653751 /nfs/dbraw/zinc/65/37/51/517653751.db2.gz FBIDHKDXIVCPTH-INIZCTEOSA-N 1 3 352.548 2.580 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1coc2ccccc12 ZINC000556810945 517674627 /nfs/dbraw/zinc/67/46/27/517674627.db2.gz SHSBQVPRGDQWAI-GOSISDBHSA-N 1 3 357.498 2.850 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1coc2ccccc12 ZINC000556810945 517674633 /nfs/dbraw/zinc/67/46/33/517674633.db2.gz SHSBQVPRGDQWAI-GOSISDBHSA-N 1 3 357.498 2.850 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000527464804 517693553 /nfs/dbraw/zinc/69/35/53/517693553.db2.gz PWOSUPFQMJAJPQ-MJGOQNOKSA-N 1 3 364.509 2.597 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000563152703 517695517 /nfs/dbraw/zinc/69/55/17/517695517.db2.gz WPFCMESKFJBUKV-QEJZJMRPSA-N 1 3 351.878 2.736 20 0 FFADHO C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CCN1CC[NH2+]CC1)OCCO3 ZINC000563155328 517697901 /nfs/dbraw/zinc/69/79/01/517697901.db2.gz RHIWITULZRLGPF-KRWDZBQOSA-N 1 3 371.525 2.551 20 0 FFADHO COC(=O)C(C)(C)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000527510926 517720743 /nfs/dbraw/zinc/72/07/43/517720743.db2.gz XEBXQBCCHLGFHF-IRXDYDNUSA-N 1 3 354.535 2.787 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H]1CCOC1 ZINC000556886397 517728451 /nfs/dbraw/zinc/72/84/51/517728451.db2.gz MLTSLSZLJFDTOG-CDJZJNNCSA-N 1 3 358.526 2.664 20 0 FFADHO Cc1cc(N2CCCC2)ccc1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000563211901 517741008 /nfs/dbraw/zinc/74/10/08/517741008.db2.gz QNXRMIKTYOYLLT-GOSISDBHSA-N 1 3 370.541 2.998 20 0 FFADHO CN(CCC(=O)NC1CCN(Cc2ccccc2)CC1)c1cc[nH+]cc1 ZINC000542787371 517741244 /nfs/dbraw/zinc/74/12/44/517741244.db2.gz WLOFEKVGQBWNJQ-UHFFFAOYSA-N 1 3 352.482 2.689 20 0 FFADHO Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563215725 517744708 /nfs/dbraw/zinc/74/47/08/517744708.db2.gz YVXUUYGRVHKIMN-OALUTQOASA-N 1 3 370.541 2.855 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000534139655 517758733 /nfs/dbraw/zinc/75/87/33/517758733.db2.gz ZZLYCYFCJBTOFV-RTWAWAEBSA-N 1 3 373.541 2.679 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000534139655 517758747 /nfs/dbraw/zinc/75/87/47/517758747.db2.gz ZZLYCYFCJBTOFV-RTWAWAEBSA-N 1 3 373.541 2.679 20 0 FFADHO CCc1nncn1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000546679691 517795788 /nfs/dbraw/zinc/79/57/88/517795788.db2.gz ZHHQOVHVSBBHBM-XUVXKRRUSA-N 1 3 353.514 2.731 20 0 FFADHO CCc1nncn1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000546679691 517795800 /nfs/dbraw/zinc/79/58/00/517795800.db2.gz ZHHQOVHVSBBHBM-XUVXKRRUSA-N 1 3 353.514 2.731 20 0 FFADHO CCc1nncn1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000546679691 517795805 /nfs/dbraw/zinc/79/58/05/517795805.db2.gz ZHHQOVHVSBBHBM-XUVXKRRUSA-N 1 3 353.514 2.731 20 0 FFADHO CCO[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000549943045 517799070 /nfs/dbraw/zinc/79/90/70/517799070.db2.gz MRDWXWUKBLVHCS-BDTNDASRSA-N 1 3 368.525 2.898 20 0 FFADHO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000521683155 517826358 /nfs/dbraw/zinc/82/63/58/517826358.db2.gz KCTUXDULBIHREP-SFHVURJKSA-N 1 3 353.551 2.503 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000557113346 517859207 /nfs/dbraw/zinc/85/92/07/517859207.db2.gz DVWPWNULVHMQRI-JOCHJYFZSA-N 1 3 370.541 2.745 20 0 FFADHO CC(C)[C@H](C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H](C)[NH3+] ZINC000516864992 517880970 /nfs/dbraw/zinc/88/09/70/517880970.db2.gz WSDBHUZTHARWJO-JXFKEZNVSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H](C)[NH3+] ZINC000516864993 517882210 /nfs/dbraw/zinc/88/22/10/517882210.db2.gz WSDBHUZTHARWJO-OXJNMPFZSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[C@@H]1C[NH3+] ZINC000557231746 517928064 /nfs/dbraw/zinc/92/80/64/517928064.db2.gz AHQONCSXTMFPCE-HKUYNNGSSA-N 1 3 358.530 2.667 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000517024937 517983649 /nfs/dbraw/zinc/98/36/49/517983649.db2.gz FRJOCEMGOLUOLL-OAQYLSRUSA-N 1 3 369.509 2.944 20 0 FFADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000517024936 517983869 /nfs/dbraw/zinc/98/38/69/517983869.db2.gz FRJOCEMGOLUOLL-NRFANRHFSA-N 1 3 369.509 2.944 20 0 FFADHO CC(=O)c1ccc(-c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)o2)cc1 ZINC000530880417 518027199 /nfs/dbraw/zinc/02/71/99/518027199.db2.gz SSLRPNLMKJNNAB-UHFFFAOYSA-N 1 3 371.481 2.715 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000517122753 518034285 /nfs/dbraw/zinc/03/42/85/518034285.db2.gz DRMAOYDUBRYOCT-DFQSSKMNSA-N 1 3 372.582 2.585 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000517122753 518034291 /nfs/dbraw/zinc/03/42/91/518034291.db2.gz DRMAOYDUBRYOCT-DFQSSKMNSA-N 1 3 372.582 2.585 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000557494061 518035182 /nfs/dbraw/zinc/03/51/82/518035182.db2.gz IJFPNBUVGHXKIN-HDICACEKSA-N 1 3 350.551 2.909 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534973633 518103620 /nfs/dbraw/zinc/10/36/20/518103620.db2.gz XVZOEAXNLHJWIV-FQEVSTJZSA-N 1 3 365.949 2.697 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2ccccc2OCc2ccncc2)CC1 ZINC000531141939 518151890 /nfs/dbraw/zinc/15/18/90/518151890.db2.gz YFEXXTVFYOQWHI-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528290630 518167057 /nfs/dbraw/zinc/16/70/57/518167057.db2.gz YKVOBHPMRVLULQ-LSTHTHJFSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528290630 518167059 /nfs/dbraw/zinc/16/70/59/518167059.db2.gz YKVOBHPMRVLULQ-LSTHTHJFSA-N 1 3 360.546 2.662 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)Cc1ccccc1 ZINC000535257883 518170997 /nfs/dbraw/zinc/17/09/97/518170997.db2.gz LSFQYWOJNYWQNX-HXUWFJFHSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000581305493 518221369 /nfs/dbraw/zinc/22/13/69/518221369.db2.gz KVWRVEUPJJAOIX-RBUKOAKNSA-N 1 3 353.510 2.868 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)C1 ZINC000566843717 518228670 /nfs/dbraw/zinc/22/86/70/518228670.db2.gz RXKLMAOMLIWFOC-AZUAARDMSA-N 1 3 358.461 2.730 20 0 FFADHO NC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000566845169 518229320 /nfs/dbraw/zinc/22/93/20/518229320.db2.gz WGSPSOQWILQQDA-FOIQADDNSA-N 1 3 352.482 2.623 20 0 FFADHO NC[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000566845169 518229329 /nfs/dbraw/zinc/22/93/29/518229329.db2.gz WGSPSOQWILQQDA-FOIQADDNSA-N 1 3 352.482 2.623 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000575800526 518286332 /nfs/dbraw/zinc/28/63/32/518286332.db2.gz OPYYZJMJAQOJEJ-HNJRGHQBSA-N 1 3 365.562 2.632 20 0 FFADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COCc1ccccc1 ZINC000578639833 518306439 /nfs/dbraw/zinc/30/64/39/518306439.db2.gz GVTWOJFSBSBRQT-JOCHJYFZSA-N 1 3 354.494 2.950 20 0 FFADHO O=C(CC[NH2+]C[C@@H]1CCN(C2CC2)C1)Nc1ccc(Br)cc1 ZINC000564202515 518349330 /nfs/dbraw/zinc/34/93/30/518349330.db2.gz MWGIOXGQCQBVIT-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO O=C(CCNC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000564202515 518349339 /nfs/dbraw/zinc/34/93/39/518349339.db2.gz MWGIOXGQCQBVIT-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO O=C(CCNC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000564202515 518349344 /nfs/dbraw/zinc/34/93/44/518349344.db2.gz MWGIOXGQCQBVIT-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000564208141 518351696 /nfs/dbraw/zinc/35/16/96/518351696.db2.gz XJHQOCRLBKBGDL-RTBURBONSA-N 1 3 367.497 2.719 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000572768326 518353085 /nfs/dbraw/zinc/35/30/85/518353085.db2.gz FBSIUJSVPHQDBG-SFHVURJKSA-N 1 3 373.541 2.845 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000572768326 518353091 /nfs/dbraw/zinc/35/30/91/518353091.db2.gz FBSIUJSVPHQDBG-SFHVURJKSA-N 1 3 373.541 2.845 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)Oc3ccccc3)CC2)CC1 ZINC000584478422 518361413 /nfs/dbraw/zinc/36/14/13/518361413.db2.gz RNCACBFRLPFQKT-SFHVURJKSA-N 1 3 373.541 2.766 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccccn3)C3CC3)CC2)CC1 ZINC000581734510 518429809 /nfs/dbraw/zinc/42/98/09/518429809.db2.gz NGTPXTBPKBKQBV-UHFFFAOYSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1(O)CCN(C)CC1 ZINC000567512279 518562877 /nfs/dbraw/zinc/56/28/77/518562877.db2.gz MQHHBCZWDULJKJ-GFCCVEGCSA-N 1 3 359.283 2.566 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(-n2ccnc2)cs1 ZINC000564686600 518564077 /nfs/dbraw/zinc/56/40/77/518564077.db2.gz HHRFONUDHGCHRY-QGZVFWFLSA-N 1 3 361.559 2.782 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(-n2ccnc2)cs1 ZINC000564686600 518564082 /nfs/dbraw/zinc/56/40/82/518564082.db2.gz HHRFONUDHGCHRY-QGZVFWFLSA-N 1 3 361.559 2.782 20 0 FFADHO COC[C@H]1CCCN(Cc2cncc(C[N@@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000579198126 518565830 /nfs/dbraw/zinc/56/58/30/518565830.db2.gz GNWQHUDJKGKNOU-OALUTQOASA-N 1 3 361.530 2.798 20 0 FFADHO COC[C@H]1CCCN(Cc2cncc(C[N@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000579198126 518565836 /nfs/dbraw/zinc/56/58/36/518565836.db2.gz GNWQHUDJKGKNOU-OALUTQOASA-N 1 3 361.530 2.798 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[NH2+]1 ZINC000579212026 518575982 /nfs/dbraw/zinc/57/59/82/518575982.db2.gz MHJWUXKXERFOJN-YJBOKZPZSA-N 1 3 362.543 2.540 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000576407337 518578364 /nfs/dbraw/zinc/57/83/64/518578364.db2.gz RSYIDOMIJFEBFI-IEBWSBKVSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@@H](NCCC(=O)Nc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576407337 518578371 /nfs/dbraw/zinc/57/83/71/518578371.db2.gz RSYIDOMIJFEBFI-IEBWSBKVSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@@H](NCCC(=O)Nc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576407337 518578381 /nfs/dbraw/zinc/57/83/81/518578381.db2.gz RSYIDOMIJFEBFI-IEBWSBKVSA-N 1 3 352.482 2.910 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000573503636 518698221 /nfs/dbraw/zinc/69/82/21/518698221.db2.gz CVGZWILDTAPGFR-MSOLQXFVSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000567779427 518707060 /nfs/dbraw/zinc/70/70/60/518707060.db2.gz UPTMNCZUZMOPCU-LAUBAEHRSA-N 1 3 366.509 2.709 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564971349 518722084 /nfs/dbraw/zinc/72/20/84/518722084.db2.gz YUUVQFLFCOXBDI-KRWDZBQOSA-N 1 3 368.481 2.669 20 0 FFADHO CC[N@H+](CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)C(C)C ZINC000588224803 518757054 /nfs/dbraw/zinc/75/70/54/518757054.db2.gz FMFBHFXTYPJTKN-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO CC[N@@H+](CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)C(C)C ZINC000588224803 518757060 /nfs/dbraw/zinc/75/70/60/518757060.db2.gz FMFBHFXTYPJTKN-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@H](c1ccccc1)[NH+](C)C ZINC000573666445 518775760 /nfs/dbraw/zinc/77/57/60/518775760.db2.gz GNLCBJLPADXIAF-MGPUTAFESA-N 1 3 368.481 2.982 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000576849008 518795728 /nfs/dbraw/zinc/79/57/28/518795728.db2.gz DCHXVKWDWNRVFX-MOPGFXCFSA-N 1 3 358.530 2.728 20 0 FFADHO O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000582540660 518803527 /nfs/dbraw/zinc/80/35/27/518803527.db2.gz OSKHWWSWBVYMBP-NZSAHSFTSA-N 1 3 357.498 2.507 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[NH2+]C(C)C ZINC000576940777 518837483 /nfs/dbraw/zinc/83/74/83/518837483.db2.gz CTDHLUCSOQIDQX-LJQANCHMSA-N 1 3 369.513 2.965 20 0 FFADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000565227280 518853470 /nfs/dbraw/zinc/85/34/70/518853470.db2.gz UIRWYDSJGCCEKZ-LNLFQRSKSA-N 1 3 359.514 2.998 20 0 FFADHO C[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)N(C)Cc1ccccc1 ZINC000579813296 518867280 /nfs/dbraw/zinc/86/72/80/518867280.db2.gz FQEVEZCXFQWFDS-YJBOKZPZSA-N 1 3 367.497 2.540 20 0 FFADHO C[C@H](CNC[C@@H](O)COCc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000582780619 518918758 /nfs/dbraw/zinc/91/87/58/518918758.db2.gz YLPAIMXLADUJIK-SJLPKXTDSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@H](C[NH2+]C[C@@H](O)COCc1ccccc1Cl)CN1CCCCC1 ZINC000582780619 518918767 /nfs/dbraw/zinc/91/87/67/518918767.db2.gz YLPAIMXLADUJIK-SJLPKXTDSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000582804978 518931114 /nfs/dbraw/zinc/93/11/14/518931114.db2.gz BAVZWHLIQFSSPY-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000582804978 518931121 /nfs/dbraw/zinc/93/11/21/518931121.db2.gz BAVZWHLIQFSSPY-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C(C)(C)O1 ZINC000565409113 518941172 /nfs/dbraw/zinc/94/11/72/518941172.db2.gz OZBSIIAEVDPWOS-LJQANCHMSA-N 1 3 373.541 2.820 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@H](C)[NH3+] ZINC000582844234 518950459 /nfs/dbraw/zinc/95/04/59/518950459.db2.gz YZBIKJXQTWMMDA-WMZOPIPTSA-N 1 3 355.486 2.704 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000589210083 518951081 /nfs/dbraw/zinc/95/10/81/518951081.db2.gz SSVMLSSKBGLRIN-NHCUHLMSSA-N 1 3 370.541 2.703 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000568338661 518986342 /nfs/dbraw/zinc/98/63/42/518986342.db2.gz VOHXYFJFZDZVDK-WMZOPIPTSA-N 1 3 367.484 2.989 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000568338661 518986348 /nfs/dbraw/zinc/98/63/48/518986348.db2.gz VOHXYFJFZDZVDK-WMZOPIPTSA-N 1 3 367.484 2.989 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)c1 ZINC000580069135 518992736 /nfs/dbraw/zinc/99/27/36/518992736.db2.gz LHPIMUHPRHRFQL-FQEVSTJZSA-N 1 3 369.509 2.969 20 0 FFADHO COc1cc(Br)ccc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000574120283 518995330 /nfs/dbraw/zinc/99/53/30/518995330.db2.gz AFMPRJHFCOZWCY-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO COc1cc(Br)ccc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000574120283 518995336 /nfs/dbraw/zinc/99/53/36/518995336.db2.gz AFMPRJHFCOZWCY-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO COc1cc(Br)ccc1CN(C)CCCN(C)CC[NH+](C)C ZINC000574120283 518995343 /nfs/dbraw/zinc/99/53/43/518995343.db2.gz AFMPRJHFCOZWCY-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO Cc1cccnc1[C@@H]1CCC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568383215 519013036 /nfs/dbraw/zinc/01/30/36/519013036.db2.gz QQFNDQJTODKSFU-IAGOWNOFSA-N 1 3 354.502 2.791 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000583014904 519035469 /nfs/dbraw/zinc/03/54/69/519035469.db2.gz IHRWIZKNKMZOSR-NHCUHLMSSA-N 1 3 373.541 2.791 20 0 FFADHO Cc1cc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)ccc1C[NH+](C)C ZINC000568481796 519059754 /nfs/dbraw/zinc/05/97/54/519059754.db2.gz ACHCEDPSQGQWAI-QFIPXVFZSA-N 1 3 367.493 2.632 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000565652424 519064329 /nfs/dbraw/zinc/06/43/29/519064329.db2.gz NJHOCGYKCZEXSS-ZBFHGGJFSA-N 1 3 360.420 2.767 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000568608765 519126399 /nfs/dbraw/zinc/12/63/99/519126399.db2.gz FCNJANWXADQSIR-JXFKEZNVSA-N 1 3 354.498 2.871 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000568608765 519126405 /nfs/dbraw/zinc/12/64/05/519126405.db2.gz FCNJANWXADQSIR-JXFKEZNVSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCN1Cc1ccccc1 ZINC000583252646 519153419 /nfs/dbraw/zinc/15/34/19/519153419.db2.gz MJRSUOSOWZWUFB-SYYKKAFVSA-N 1 3 370.541 2.825 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3ccncc3)CC2)CC1 ZINC000574432601 519154403 /nfs/dbraw/zinc/15/44/03/519154403.db2.gz ARMDTPZRTQYPLV-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC4CCC3(C[NH3+])CC4)cc2)CC1 ZINC000565840689 519158732 /nfs/dbraw/zinc/15/87/32/519158732.db2.gz DBCYKUZYLPKTEH-UHFFFAOYSA-N 1 3 370.541 2.561 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000574463723 519167654 /nfs/dbraw/zinc/16/76/54/519167654.db2.gz SMNIFZZHKMPGJC-UGKGYDQZSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000574463723 519167661 /nfs/dbraw/zinc/16/76/61/519167661.db2.gz SMNIFZZHKMPGJC-UGKGYDQZSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C[C@@H]1C[NH3+] ZINC000568730382 519186242 /nfs/dbraw/zinc/18/62/42/519186242.db2.gz JUBQZMAFHJOAPV-ZACQAIPSSA-N 1 3 364.559 2.586 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571624248 519187553 /nfs/dbraw/zinc/18/75/53/519187553.db2.gz LDDDWORHDNBQHY-JKSUJKDBSA-N 1 3 372.513 2.943 20 0 FFADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000571624248 519187558 /nfs/dbraw/zinc/18/75/58/519187558.db2.gz LDDDWORHDNBQHY-JKSUJKDBSA-N 1 3 372.513 2.943 20 0 FFADHO Cc1ccncc1CCC[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000577680973 519199842 /nfs/dbraw/zinc/19/98/42/519199842.db2.gz AVROGYPKULXXDJ-UHFFFAOYSA-N 1 3 352.526 2.860 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cn1 ZINC000571734655 519245051 /nfs/dbraw/zinc/24/50/51/519245051.db2.gz IFPMWAJQLRNIIY-HIFRSBDPSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cn1 ZINC000571734655 519245056 /nfs/dbraw/zinc/24/50/56/519245056.db2.gz IFPMWAJQLRNIIY-HIFRSBDPSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000574635511 519254361 /nfs/dbraw/zinc/25/43/61/519254361.db2.gz NMPJBMUGGGUENC-WMZHIEFXSA-N 1 3 369.553 2.932 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000568877536 519263064 /nfs/dbraw/zinc/26/30/64/519263064.db2.gz BBOOXUTVYBZBFK-HXUWFJFHSA-N 1 3 370.541 2.954 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000574665475 519267943 /nfs/dbraw/zinc/26/79/43/519267943.db2.gz AUORDIMIDPQMAL-DLBZAZTESA-N 1 3 364.559 2.901 20 0 FFADHO CC(=O)CCc1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000580642478 519278482 /nfs/dbraw/zinc/27/84/82/519278482.db2.gz YGAXZABHIZJWAM-OTYNDTSQSA-N 1 3 374.525 2.553 20 0 FFADHO CC(=O)CCc1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000580642478 519278491 /nfs/dbraw/zinc/27/84/91/519278491.db2.gz YGAXZABHIZJWAM-OTYNDTSQSA-N 1 3 374.525 2.553 20 0 FFADHO Cc1ccc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(OCCN(C)C)c1 ZINC000577838812 519280928 /nfs/dbraw/zinc/28/09/28/519280928.db2.gz ZZVCVSIWHPDPMA-GOSISDBHSA-N 1 3 374.529 2.789 20 0 FFADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000583498132 519281371 /nfs/dbraw/zinc/28/13/71/519281371.db2.gz AAVFLSRWIAIHOR-KRWDZBQOSA-N 1 3 361.534 2.575 20 0 FFADHO CC(C)(CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc2C1 ZINC000577863724 519296755 /nfs/dbraw/zinc/29/67/55/519296755.db2.gz OFZWDCYDNHAJSG-NRFANRHFSA-N 1 3 363.505 2.827 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)Cc1cccc(Cl)c1 ZINC000580709482 519314480 /nfs/dbraw/zinc/31/44/80/519314480.db2.gz BSWXPPYUSCLZIF-UFYCRDLUSA-N 1 3 366.933 2.601 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000577908379 519316704 /nfs/dbraw/zinc/31/67/04/519316704.db2.gz TVHSFYFIDJWGCF-GOSISDBHSA-N 1 3 360.546 2.679 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000577908379 519316709 /nfs/dbraw/zinc/31/67/09/519316709.db2.gz TVHSFYFIDJWGCF-GOSISDBHSA-N 1 3 360.546 2.679 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000583607817 519336351 /nfs/dbraw/zinc/33/63/51/519336351.db2.gz YKECKICYSISGBA-CTNGQTDRSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000583607817 519336358 /nfs/dbraw/zinc/33/63/58/519336358.db2.gz YKECKICYSISGBA-CTNGQTDRSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000590787028 519372403 /nfs/dbraw/zinc/37/24/03/519372403.db2.gz UMLHQRRZJNKHPC-KRWDZBQOSA-N 1 3 363.521 2.925 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000590787028 519372408 /nfs/dbraw/zinc/37/24/08/519372408.db2.gz UMLHQRRZJNKHPC-KRWDZBQOSA-N 1 3 363.521 2.925 20 0 FFADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1ccccc1 ZINC000574950392 519418047 /nfs/dbraw/zinc/41/80/47/519418047.db2.gz RWZRKDIWLZTMCK-OAQYLSRUSA-N 1 3 354.494 2.723 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)CC1 ZINC000569323786 519492645 /nfs/dbraw/zinc/49/26/45/519492645.db2.gz UEOFMUXUYSVFJP-LFYFRBEQSA-N 1 3 350.551 2.657 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(n3)CCC4)CC2)CC1 ZINC000566464533 519508569 /nfs/dbraw/zinc/50/85/69/519508569.db2.gz DGFNIKKTDNWIDJ-UHFFFAOYSA-N 1 3 356.514 2.705 20 0 FFADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)C1(C)C ZINC000581070558 519508745 /nfs/dbraw/zinc/50/87/45/519508745.db2.gz WQUAFCMFWJXVFI-FCEWJHQRSA-N 1 3 367.921 2.591 20 0 FFADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccc(F)cc1 ZINC000581126668 519537487 /nfs/dbraw/zinc/53/74/87/519537487.db2.gz ZCITWJGELGXKFG-HXUWFJFHSA-N 1 3 358.457 2.951 20 0 FFADHO CCCC(O)(CCC)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000569469928 519567925 /nfs/dbraw/zinc/56/79/25/519567925.db2.gz AXQPKKVKQZWQMW-UHFFFAOYSA-N 1 3 367.578 2.630 20 0 FFADHO CN(c1ccccc1)c1ccc(C[NH2+]CCCCN2CCN(C)CC2)cn1 ZINC000566671831 519604936 /nfs/dbraw/zinc/60/49/36/519604936.db2.gz DSSZHMGBIFPKDZ-UHFFFAOYSA-N 1 3 367.541 2.967 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000581265470 519607005 /nfs/dbraw/zinc/60/70/05/519607005.db2.gz FDUMQEINIOXCJL-NNWRFLSQSA-N 1 3 359.558 2.940 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000581265470 519607012 /nfs/dbraw/zinc/60/70/12/519607012.db2.gz FDUMQEINIOXCJL-NNWRFLSQSA-N 1 3 359.558 2.940 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000569559379 519609977 /nfs/dbraw/zinc/60/99/77/519609977.db2.gz WRQMBOWRQOCJJF-QZTJIDSGSA-N 1 3 350.551 2.849 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000591579027 519958704 /nfs/dbraw/zinc/95/87/04/519958704.db2.gz NZSCBIYZZAWHGM-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000591579027 519958707 /nfs/dbraw/zinc/95/87/07/519958707.db2.gz NZSCBIYZZAWHGM-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000608685709 520080411 /nfs/dbraw/zinc/08/04/11/520080411.db2.gz WUNGGKSIWIQZEO-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608685709 520080417 /nfs/dbraw/zinc/08/04/17/520080417.db2.gz WUNGGKSIWIQZEO-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000608705531 520091395 /nfs/dbraw/zinc/09/13/95/520091395.db2.gz GTXKIPMLHJDVDL-RZUBCFFCSA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000608705531 520091397 /nfs/dbraw/zinc/09/13/97/520091397.db2.gz GTXKIPMLHJDVDL-RZUBCFFCSA-N 1 3 372.557 2.774 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000603320352 520213952 /nfs/dbraw/zinc/21/39/52/520213952.db2.gz IAIHYUGNFISMMM-QFBILLFUSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000594966372 520232089 /nfs/dbraw/zinc/23/20/89/520232089.db2.gz ODBFWRCGSWZXPI-SCTDSRPQSA-N 1 3 350.551 2.528 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000594966372 520232096 /nfs/dbraw/zinc/23/20/96/520232096.db2.gz ODBFWRCGSWZXPI-SCTDSRPQSA-N 1 3 350.551 2.528 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000594963192 520233075 /nfs/dbraw/zinc/23/30/75/520233075.db2.gz JYGSUVVGLJRDSH-MOPGFXCFSA-N 1 3 350.551 2.526 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]1C ZINC000594969567 520234457 /nfs/dbraw/zinc/23/44/57/520234457.db2.gz QSWARWCMMILOQN-FFZOFVMBSA-N 1 3 359.514 2.861 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962842 520242866 /nfs/dbraw/zinc/24/28/66/520242866.db2.gz FLPLMVYKXXEADK-IBGZPJMESA-N 1 3 356.514 2.614 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000612967155 520245182 /nfs/dbraw/zinc/24/51/82/520245182.db2.gz YFUQJXLGVVUAPJ-UXHICEINSA-N 1 3 370.541 2.901 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000603907480 520400977 /nfs/dbraw/zinc/40/09/77/520400977.db2.gz DUWICCFDOATSNI-MOPGFXCFSA-N 1 3 373.541 2.964 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000604116731 520455357 /nfs/dbraw/zinc/45/53/57/520455357.db2.gz ZRJHISXXHZZFEP-CTNGQTDRSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000604116731 520455361 /nfs/dbraw/zinc/45/53/61/520455361.db2.gz ZRJHISXXHZZFEP-CTNGQTDRSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000613375605 520469869 /nfs/dbraw/zinc/46/98/69/520469869.db2.gz ONDUGTKRECTRGX-WIYYLYMNSA-N 1 3 355.526 2.708 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000613375605 520469877 /nfs/dbraw/zinc/46/98/77/520469877.db2.gz ONDUGTKRECTRGX-WIYYLYMNSA-N 1 3 355.526 2.708 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)c2)CC1 ZINC000604191712 520479260 /nfs/dbraw/zinc/47/92/60/520479260.db2.gz ZFYXBTGLPDSPSM-HXUWFJFHSA-N 1 3 370.541 2.954 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000604195340 520482490 /nfs/dbraw/zinc/48/24/90/520482490.db2.gz MUDOQTCRPCEKTD-GAUHOVIDSA-N 1 3 368.525 2.718 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000604195340 520482492 /nfs/dbraw/zinc/48/24/92/520482492.db2.gz MUDOQTCRPCEKTD-GAUHOVIDSA-N 1 3 368.525 2.718 20 0 FFADHO COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2 ZINC000617502598 520536964 /nfs/dbraw/zinc/53/69/64/520536964.db2.gz VPSZUZDOOMENCM-LPHOPBHVSA-N 1 3 361.530 2.503 20 0 FFADHO COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2 ZINC000617502598 520536969 /nfs/dbraw/zinc/53/69/69/520536969.db2.gz VPSZUZDOOMENCM-LPHOPBHVSA-N 1 3 361.530 2.503 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccn1Cc1ccccc1 ZINC000617504372 520538945 /nfs/dbraw/zinc/53/89/45/520538945.db2.gz SNYFZNBAWFVEGH-SFHVURJKSA-N 1 3 356.514 2.538 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccn1Cc1ccccc1 ZINC000617504372 520538952 /nfs/dbraw/zinc/53/89/52/520538952.db2.gz SNYFZNBAWFVEGH-SFHVURJKSA-N 1 3 356.514 2.538 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sccc1Br ZINC000617504948 520540357 /nfs/dbraw/zinc/54/03/57/520540357.db2.gz QLJMNVOQNAEADD-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sccc1Br ZINC000617504948 520540363 /nfs/dbraw/zinc/54/03/63/520540363.db2.gz QLJMNVOQNAEADD-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2nccc(C)c2c1 ZINC000617507908 520545144 /nfs/dbraw/zinc/54/51/44/520545144.db2.gz OIYHGWXTJLHJFU-KRWDZBQOSA-N 1 3 356.514 2.853 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2nccc(C)c2c1 ZINC000617507908 520545150 /nfs/dbraw/zinc/54/51/50/520545150.db2.gz OIYHGWXTJLHJFU-KRWDZBQOSA-N 1 3 356.514 2.853 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610429510 520680625 /nfs/dbraw/zinc/68/06/25/520680625.db2.gz ZMLXPLKCGKMWFJ-LJQANCHMSA-N 1 3 363.571 2.794 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000601243886 520704876 /nfs/dbraw/zinc/70/48/76/520704876.db2.gz VKYBGIJCNDOWNZ-UXHICEINSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000617978048 520815741 /nfs/dbraw/zinc/81/57/41/520815741.db2.gz OEHZKQHDDUNZSU-FGTMMUONSA-N 1 3 358.530 2.671 20 0 FFADHO C[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617978048 520815745 /nfs/dbraw/zinc/81/57/45/520815745.db2.gz OEHZKQHDDUNZSU-FGTMMUONSA-N 1 3 358.530 2.671 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000607167173 521284643 /nfs/dbraw/zinc/28/46/43/521284643.db2.gz VINSCEIQBZJZTR-UHFFFAOYSA-N 1 3 350.466 2.572 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)CN3[C@@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000607278716 521312654 /nfs/dbraw/zinc/31/26/54/521312654.db2.gz SHQOUAVLSGEZIG-ROUUACIJSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000619360655 521534715 /nfs/dbraw/zinc/53/47/15/521534715.db2.gz LMYGHMSROFQCEB-OALUTQOASA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000619360655 521534723 /nfs/dbraw/zinc/53/47/23/521534723.db2.gz LMYGHMSROFQCEB-OALUTQOASA-N 1 3 360.546 2.880 20 0 FFADHO C[C@H](CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000634843090 521763322 /nfs/dbraw/zinc/76/33/22/521763322.db2.gz DHXAUUOTUOGKAN-MRXNPFEDSA-N 1 3 352.567 2.869 20 0 FFADHO FC(F)(F)c1ccn(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000635014309 521866770 /nfs/dbraw/zinc/86/67/70/521866770.db2.gz PDDDEHMFZSZBTM-YOEHRIQHSA-N 1 3 366.387 2.747 20 0 FFADHO Cc1ccc(Cl)cc1N1CC[C@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558790 522312761 /nfs/dbraw/zinc/31/27/61/522312761.db2.gz NLHYZIOVDWFLDD-AEFFLSMTSA-N 1 3 351.922 2.521 20 0 FFADHO CC[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(C(F)(F)F)c1 ZINC000629567828 522321471 /nfs/dbraw/zinc/32/14/71/522321471.db2.gz MOSQVGJXKWIZGU-CVEARBPZSA-N 1 3 360.420 2.909 20 0 FFADHO CN(CCOCC[NH3+])Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000629667319 522385629 /nfs/dbraw/zinc/38/56/29/522385629.db2.gz WXDGTHZZECQMPZ-UHFFFAOYSA-N 1 3 361.873 2.999 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000632914303 522389799 /nfs/dbraw/zinc/38/97/99/522389799.db2.gz IUZMLGMSAXSBSC-AQNXPRMDSA-N 1 3 364.578 2.918 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(OC)c3C)CC2)CC1 ZINC000620751036 522403303 /nfs/dbraw/zinc/40/33/03/522403303.db2.gz RPQDBNKEUGEIDH-UHFFFAOYSA-N 1 3 373.541 2.816 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000633092770 522523735 /nfs/dbraw/zinc/52/37/35/522523735.db2.gz LVESQNBHAIHPIH-LCLWPZTBSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000633092770 522523739 /nfs/dbraw/zinc/52/37/39/522523739.db2.gz LVESQNBHAIHPIH-LCLWPZTBSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000624344614 522620683 /nfs/dbraw/zinc/62/06/83/522620683.db2.gz NYBCXFJDLFGVEM-UTKZUKDTSA-N 1 3 355.526 2.825 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000621104455 522626428 /nfs/dbraw/zinc/62/64/28/522626428.db2.gz YNMQPRUPTGCTQP-RTWAWAEBSA-N 1 3 370.541 2.532 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000621104455 522626437 /nfs/dbraw/zinc/62/64/37/522626437.db2.gz YNMQPRUPTGCTQP-RTWAWAEBSA-N 1 3 370.541 2.532 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000627201509 522711757 /nfs/dbraw/zinc/71/17/57/522711757.db2.gz IUZBXHDVVBECKZ-CUDHKJQZSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000627238471 522734017 /nfs/dbraw/zinc/73/40/17/522734017.db2.gz WFZVWVSSQYOVMM-XJKSGUPXSA-N 1 3 372.435 2.529 20 0 FFADHO CCN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1CCN(C)CC1 ZINC000627615964 522961799 /nfs/dbraw/zinc/96/17/99/522961799.db2.gz WFTSWBFDDFDJEU-HUUCEWRRSA-N 1 3 363.468 2.838 20 0 FFADHO CCN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1CCN(C)CC1 ZINC000627615964 522961808 /nfs/dbraw/zinc/96/18/08/522961808.db2.gz WFTSWBFDDFDJEU-HUUCEWRRSA-N 1 3 363.468 2.838 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621690896 523021944 /nfs/dbraw/zinc/02/19/44/523021944.db2.gz ZKODNEMCNUDCMM-KGVIQGDOSA-N 1 3 371.525 2.893 20 0 FFADHO CN1CCC(n2cc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2)CC1 ZINC000634096840 523183948 /nfs/dbraw/zinc/18/39/48/523183948.db2.gz YBZSECSUVMQGEU-GOSISDBHSA-N 1 3 367.497 2.610 20 0 FFADHO CN1CCC(n2cc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)CC1 ZINC000634096840 523183956 /nfs/dbraw/zinc/18/39/56/523183956.db2.gz YBZSECSUVMQGEU-GOSISDBHSA-N 1 3 367.497 2.610 20 0 FFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636749614 523184601 /nfs/dbraw/zinc/18/46/01/523184601.db2.gz DCLOQZAHJWZQPF-HOTGVXAUSA-N 1 3 362.522 2.534 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000622044424 523235258 /nfs/dbraw/zinc/23/52/58/523235258.db2.gz FLTJWFBBYCDASL-OALUTQOASA-N 1 3 353.466 2.577 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2)cc1 ZINC000622044995 523237144 /nfs/dbraw/zinc/23/71/44/523237144.db2.gz ZOOVLCWDTVVTNW-TZIWHRDSSA-N 1 3 367.493 2.825 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000637006659 523359232 /nfs/dbraw/zinc/35/92/32/523359232.db2.gz CHRJRJBMPURFQW-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO O=c1ccc(C[NH2+]CCCOC2CCN(Cc3ccccc3)CC2)c[nH]1 ZINC000631083274 523364614 /nfs/dbraw/zinc/36/46/14/523364614.db2.gz LSTYIPLGILISKA-UHFFFAOYSA-N 1 3 355.482 2.948 20 0 FFADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625382149 523393637 /nfs/dbraw/zinc/39/36/37/523393637.db2.gz XPQZHDNGMDPXLE-BHIFYINESA-N 1 3 367.537 2.745 20 0 FFADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625382149 523393648 /nfs/dbraw/zinc/39/36/48/523393648.db2.gz XPQZHDNGMDPXLE-BHIFYINESA-N 1 3 367.537 2.745 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(Cc2ccncc2)C[C@@H]2CCCN2CC)CC[N@@H+]1C ZINC000631202809 523453480 /nfs/dbraw/zinc/45/34/80/523453480.db2.gz DMUFZDBANIKARX-SLFFLAALSA-N 1 3 358.530 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(Cc2ccncc2)C[C@@H]2CCCN2CC)CC[N@H+]1C ZINC000631202809 523453486 /nfs/dbraw/zinc/45/34/86/523453486.db2.gz DMUFZDBANIKARX-SLFFLAALSA-N 1 3 358.530 2.625 20 0 FFADHO Cn1cc(CCN2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000625581469 523550344 /nfs/dbraw/zinc/55/03/44/523550344.db2.gz QMZWVCGVALBMKK-NRFANRHFSA-N 1 3 367.541 2.980 20 0 FFADHO Cn1cc(CC[N@@H+]2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)nn1 ZINC000625581469 523550348 /nfs/dbraw/zinc/55/03/48/523550348.db2.gz QMZWVCGVALBMKK-NRFANRHFSA-N 1 3 367.541 2.980 20 0 FFADHO Cn1cc(CC[N@H+]2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)nn1 ZINC000625581469 523550351 /nfs/dbraw/zinc/55/03/51/523550351.db2.gz QMZWVCGVALBMKK-NRFANRHFSA-N 1 3 367.541 2.980 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(OC)c1 ZINC000634733875 523621117 /nfs/dbraw/zinc/62/11/17/523621117.db2.gz QDNGEUAEMIFSED-HUUCEWRRSA-N 1 3 363.502 2.789 20 0 FFADHO FC(F)[C@@H]1CCN(CCCCC[N@@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634757049 523637582 /nfs/dbraw/zinc/63/75/82/523637582.db2.gz KKLWVXDNFJKQFV-GJZGRUSLSA-N 1 3 370.431 2.869 20 0 FFADHO FC(F)[C@@H]1CCN(CCCCC[N@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634757049 523637589 /nfs/dbraw/zinc/63/75/89/523637589.db2.gz KKLWVXDNFJKQFV-GJZGRUSLSA-N 1 3 370.431 2.869 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nccc4cc[nH]c43)CC2)CC1 ZINC000628644250 523650311 /nfs/dbraw/zinc/65/03/11/523650311.db2.gz JRXRAEBGTWQWRC-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000637601698 523729113 /nfs/dbraw/zinc/72/91/13/523729113.db2.gz CFEVNSSGRZVRLT-QCFAMHMHSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000637601698 523729122 /nfs/dbraw/zinc/72/91/22/523729122.db2.gz CFEVNSSGRZVRLT-QCFAMHMHSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824577316 608217453 /nfs/dbraw/zinc/21/74/53/608217453.db2.gz JZAACPIYAZZCAU-OAHLLOKOSA-N 1 3 363.469 2.829 20 0 FFADHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824577316 608217455 /nfs/dbraw/zinc/21/74/55/608217455.db2.gz JZAACPIYAZZCAU-OAHLLOKOSA-N 1 3 363.469 2.829 20 0 FFADHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824577315 608217960 /nfs/dbraw/zinc/21/79/60/608217960.db2.gz JZAACPIYAZZCAU-HNNXBMFYSA-N 1 3 363.469 2.829 20 0 FFADHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824577315 608217961 /nfs/dbraw/zinc/21/79/61/608217961.db2.gz JZAACPIYAZZCAU-HNNXBMFYSA-N 1 3 363.469 2.829 20 0 FFADHO Cc1cc2[nH]ccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)[nH+]1 ZINC001164771740 721148024 /nfs/dbraw/zinc/14/80/24/721148024.db2.gz SUFKBWMQIUWXFU-IRXDYDNUSA-N 1 3 350.470 2.563 20 0 FFADHO CN1CC[C@@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)CC1(C)C ZINC000898288195 735337295 /nfs/dbraw/zinc/33/72/95/735337295.db2.gz HBQOLGWQEZHCQE-MRXNPFEDSA-N 1 3 351.516 2.553 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC000092482354 728467862 /nfs/dbraw/zinc/46/78/62/728467862.db2.gz WLPHCYZKPSDSSE-UHFFFAOYSA-N 1 3 360.527 2.796 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069515 729851541 /nfs/dbraw/zinc/85/15/41/729851541.db2.gz OTJWRWQRPMDPPL-AEFFLSMTSA-N 1 3 362.543 2.669 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000779364683 738459282 /nfs/dbraw/zinc/45/92/82/738459282.db2.gz DTIHTBQZUIMNJL-HOTGVXAUSA-N 1 3 357.539 2.769 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000639653528 730092489 /nfs/dbraw/zinc/09/24/89/730092489.db2.gz CXUJHPGPIHULKK-NVXWUHKLSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000639653528 730092491 /nfs/dbraw/zinc/09/24/91/730092491.db2.gz CXUJHPGPIHULKK-NVXWUHKLSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000639653530 730092520 /nfs/dbraw/zinc/09/25/20/730092520.db2.gz CXUJHPGPIHULKK-WBVHZDCISA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000639653530 730092522 /nfs/dbraw/zinc/09/25/22/730092522.db2.gz CXUJHPGPIHULKK-WBVHZDCISA-N 1 3 359.297 2.761 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000641798272 730252784 /nfs/dbraw/zinc/25/27/84/730252784.db2.gz DMKBVYSAZLFNAY-GDBMZVCRSA-N 1 3 354.397 2.726 20 0 FFADHO COc1cc(OC)cc([C@H](O)C[NH2+]C2CCN(CCC(C)C)CC2)c1 ZINC000925098412 738478613 /nfs/dbraw/zinc/47/86/13/738478613.db2.gz UWBFGSDVMLUTFJ-HXUWFJFHSA-N 1 3 350.503 2.837 20 0 FFADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862274471 730684824 /nfs/dbraw/zinc/68/48/24/730684824.db2.gz OPLAVXKUVMENGX-GJZGRUSLSA-N 1 3 361.477 2.953 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482631 730704351 /nfs/dbraw/zinc/70/43/51/730704351.db2.gz KLJIABZXYLDVTI-HUUCEWRRSA-N 1 3 361.477 2.953 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482631 730704354 /nfs/dbraw/zinc/70/43/54/730704354.db2.gz KLJIABZXYLDVTI-HUUCEWRRSA-N 1 3 361.477 2.953 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482631 730704357 /nfs/dbraw/zinc/70/43/57/730704357.db2.gz KLJIABZXYLDVTI-HUUCEWRRSA-N 1 3 361.477 2.953 20 0 FFADHO Brc1cc2c(cc1CN1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCO2 ZINC000647546174 730749569 /nfs/dbraw/zinc/74/95/69/730749569.db2.gz COBUVHXRMAHHCJ-OLZOCXBDSA-N 1 3 367.287 2.999 20 0 FFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649312990 730876071 /nfs/dbraw/zinc/87/60/71/730876071.db2.gz TUSBIHFGOFPTOE-HNNXBMFYSA-N 1 3 369.481 2.727 20 0 FFADHO CCN(CC)c1ncc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650721763 731023116 /nfs/dbraw/zinc/02/31/16/731023116.db2.gz AKSANBVGEXQKKD-OIISXLGYSA-N 1 3 352.548 2.850 20 0 FFADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925495954 738510638 /nfs/dbraw/zinc/51/06/38/738510638.db2.gz OYHZLQMRBCIIDE-MSOLQXFVSA-N 1 3 367.559 2.510 20 0 FFADHO CCCCN(CCCC)C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346570 731185419 /nfs/dbraw/zinc/18/54/19/731185419.db2.gz ANUQQCFCKWTLNV-OTWHNJEPSA-N 1 3 353.551 2.634 20 0 FFADHO CCCCN(CCCC)C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346568 731185559 /nfs/dbraw/zinc/18/55/59/731185559.db2.gz ANUQQCFCKWTLNV-GBESFXJTSA-N 1 3 353.551 2.634 20 0 FFADHO CN(C)[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655692298 731499296 /nfs/dbraw/zinc/49/92/96/731499296.db2.gz SWUPXBUQPHXAHG-APWZRJJASA-N 1 3 351.922 2.786 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000656197875 731557365 /nfs/dbraw/zinc/55/73/65/731557365.db2.gz CNRRCLJKODTKNU-QLFBSQMISA-N 1 3 355.404 2.666 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3cc(F)ccc3OC(F)F)C2)CC1 ZINC000657358716 731773252 /nfs/dbraw/zinc/77/32/52/731773252.db2.gz GRJWKNHRTSYNOG-HNNXBMFYSA-N 1 3 357.420 2.685 20 0 FFADHO CS(=O)(=O)c1cccc([C@@H](NC[C@H]2C[C@@H]([NH3+])C2)c2ccc(F)cc2)c1 ZINC000873252633 731895361 /nfs/dbraw/zinc/89/53/61/731895361.db2.gz UDUJJJKTRQIYIV-IRWQIABSSA-N 1 3 362.470 2.646 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000660404387 732105536 /nfs/dbraw/zinc/10/55/36/732105536.db2.gz GLXSOQSKYXZWSG-KSZLIROESA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000660404387 732105538 /nfs/dbraw/zinc/10/55/38/732105538.db2.gz GLXSOQSKYXZWSG-KSZLIROESA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000877054032 732318278 /nfs/dbraw/zinc/31/82/78/732318278.db2.gz AWHBCFUGUJQALL-HNNXBMFYSA-N 1 3 361.313 2.852 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662479771 732321497 /nfs/dbraw/zinc/32/14/97/732321497.db2.gz MNQKEIYIANHHGI-QGZVFWFLSA-N 1 3 355.507 2.740 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662479771 732321504 /nfs/dbraw/zinc/32/15/04/732321504.db2.gz MNQKEIYIANHHGI-QGZVFWFLSA-N 1 3 355.507 2.740 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000877159622 732329333 /nfs/dbraw/zinc/32/93/33/732329333.db2.gz ZYLGICXIXYTTSI-SJORKVTESA-N 1 3 360.889 2.510 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000664971033 732654451 /nfs/dbraw/zinc/65/44/51/732654451.db2.gz PNSXYVJJXUYNOG-WMZOPIPTSA-N 1 3 364.559 2.795 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000664971033 732654454 /nfs/dbraw/zinc/65/44/54/732654454.db2.gz PNSXYVJJXUYNOG-WMZOPIPTSA-N 1 3 364.559 2.795 20 0 FFADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665355923 732697911 /nfs/dbraw/zinc/69/79/11/732697911.db2.gz BPBRGNKBLZUWJE-INIZCTEOSA-N 1 3 352.548 2.694 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ccccc2Cl)CC1 ZINC000665763782 732753530 /nfs/dbraw/zinc/75/35/30/732753530.db2.gz LMVMXQXVQASJGP-HNNXBMFYSA-N 1 3 366.937 2.900 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ccccc2Cl)CC1 ZINC000665763782 732753532 /nfs/dbraw/zinc/75/35/32/732753532.db2.gz LMVMXQXVQASJGP-HNNXBMFYSA-N 1 3 366.937 2.900 20 0 FFADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(F)c1 ZINC000667250195 732972109 /nfs/dbraw/zinc/97/21/09/732972109.db2.gz JDZLTTIYJZFKJN-AWEZNQCLSA-N 1 3 354.470 2.618 20 0 FFADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(F)c1 ZINC000667250195 732972111 /nfs/dbraw/zinc/97/21/11/732972111.db2.gz JDZLTTIYJZFKJN-AWEZNQCLSA-N 1 3 354.470 2.618 20 0 FFADHO C[NH+](C)CCOCCN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000683691383 734176049 /nfs/dbraw/zinc/17/60/49/734176049.db2.gz CBPNBNQKDHNYCO-IAGOWNOFSA-N 1 3 371.319 2.837 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892927456 734624558 /nfs/dbraw/zinc/62/45/58/734624558.db2.gz DXYGTNQCXWGQBO-ZDUSSCGKSA-N 1 3 364.481 2.611 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897547856 735245603 /nfs/dbraw/zinc/24/56/03/735245603.db2.gz KIWGIIPDNSOQIZ-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897547856 735245607 /nfs/dbraw/zinc/24/56/07/735245607.db2.gz KIWGIIPDNSOQIZ-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CCOC(=O)N1CC[C@@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374231 735938962 /nfs/dbraw/zinc/93/89/62/735938962.db2.gz KPHJJDPSPVJOIT-PBHICJAKSA-N 1 3 355.429 2.955 20 0 FFADHO [NH3+]CCCC[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1F ZINC000902384568 735940451 /nfs/dbraw/zinc/94/04/51/735940451.db2.gz NDFTVFVMKSXSGC-GUYCJALGSA-N 1 3 360.470 2.549 20 0 FFADHO N[C@@H]1C[C@H]([NH2+]CC2(OCCO)CCC(C(F)F)CC2)c2ccccc21 ZINC000902434157 735946052 /nfs/dbraw/zinc/94/60/52/735946052.db2.gz MGBYQZCHADOWBS-LOIAUHFVSA-N 1 3 354.441 2.924 20 0 FFADHO c1csc(CN(C[C@@H]2CCCO2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903717992 736159673 /nfs/dbraw/zinc/15/96/73/736159673.db2.gz GXMYIOOXMJZWLL-IRXDYDNUSA-N 1 3 350.528 2.888 20 0 FFADHO Brc1cccc2c1OCC[C@@H]2NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903759925 736163020 /nfs/dbraw/zinc/16/30/20/736163020.db2.gz UOCSUXXARLUAJM-YLQAJVPDSA-N 1 3 367.287 2.631 20 0 FFADHO Brc1ccc2c(c1)[C@@H](NC[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CCO2 ZINC000903786989 736166841 /nfs/dbraw/zinc/16/68/41/736166841.db2.gz SNMMTZKTAKQWMW-UKPHBRMFSA-N 1 3 367.287 2.631 20 0 FFADHO C[NH+]1CCC(CNC(=S)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000760462293 736640894 /nfs/dbraw/zinc/64/08/94/736640894.db2.gz GQQUPJDDIDCVTC-MRXNPFEDSA-N 1 3 366.600 2.691 20 0 FFADHO CC[NH+]1CCC(NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000766528909 737238329 /nfs/dbraw/zinc/23/83/29/737238329.db2.gz MGGRVWIUUKCKHN-HOCLYGCPSA-N 1 3 355.523 2.821 20 0 FFADHO COC(=O)c1cnc(CCNC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000922840182 738208054 /nfs/dbraw/zinc/20/80/54/738208054.db2.gz WEDFIAWCQQLFOQ-UHFFFAOYSA-N 1 3 359.495 2.726 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000810115953 741389010 /nfs/dbraw/zinc/38/90/10/741389010.db2.gz RWONCYZIQOPXRY-IBGZPJMESA-N 1 3 371.566 2.677 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000810115953 741389016 /nfs/dbraw/zinc/38/90/16/741389016.db2.gz RWONCYZIQOPXRY-IBGZPJMESA-N 1 3 371.566 2.677 20 0 FFADHO CN(C)C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000811528009 741534023 /nfs/dbraw/zinc/53/40/23/741534023.db2.gz GHRIERMLTDZZFW-LPHOPBHVSA-N 1 3 353.457 2.757 20 0 FFADHO CN(C)C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000811528009 741534026 /nfs/dbraw/zinc/53/40/26/741534026.db2.gz GHRIERMLTDZZFW-LPHOPBHVSA-N 1 3 353.457 2.757 20 0 FFADHO Fc1cc(Br)ccc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817902230 742221537 /nfs/dbraw/zinc/22/15/37/742221537.db2.gz LLQWYIWYXSFJCV-BHYGNILZSA-N 1 3 371.294 2.877 20 0 FFADHO C[C@@H]1C[C@H](NC[C@@](C)(O)c2ccc(Br)cc2F)CC[N@@H+]1C ZINC000819101905 742337354 /nfs/dbraw/zinc/33/73/54/742337354.db2.gz BAPNHOBXXRPLMG-AXAPSJFSSA-N 1 3 359.283 2.868 20 0 FFADHO C[C@@H]1C[C@H](NC[C@@](C)(O)c2ccc(Br)cc2F)CC[N@H+]1C ZINC000819101905 742337358 /nfs/dbraw/zinc/33/73/58/742337358.db2.gz BAPNHOBXXRPLMG-AXAPSJFSSA-N 1 3 359.283 2.868 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Cl ZINC000819174007 742348062 /nfs/dbraw/zinc/34/80/62/742348062.db2.gz NVHXXAMMPKPGIB-CEXWTWQISA-N 1 3 370.896 2.870 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)c2ccc(Br)cc2)CCCO1 ZINC000819265223 742364340 /nfs/dbraw/zinc/36/43/40/742364340.db2.gz MZRHMPCUPNJXSC-YOEHRIQHSA-N 1 3 371.319 2.573 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)c2ccc(Br)cc2)CCCO1 ZINC000819265223 742364344 /nfs/dbraw/zinc/36/43/44/742364344.db2.gz MZRHMPCUPNJXSC-YOEHRIQHSA-N 1 3 371.319 2.573 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000822892758 742798661 /nfs/dbraw/zinc/79/86/61/742798661.db2.gz NWGVOSRTZILTCT-INIZCTEOSA-N 1 3 362.345 2.635 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000823818728 742983918 /nfs/dbraw/zinc/98/39/18/742983918.db2.gz QJRYDSMUYLVAOF-MBOZVWFJSA-N 1 3 351.535 2.953 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(CCC(F)(F)F)C3)C2)CC[N@@H+]1C ZINC001041299023 743044100 /nfs/dbraw/zinc/04/41/00/743044100.db2.gz CPBHVSUUAZYRGW-ZMSDIMECSA-N 1 3 361.452 2.594 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(CCC(F)(F)F)C3)C2)CC[N@H+]1C ZINC001041299023 743044109 /nfs/dbraw/zinc/04/41/09/743044109.db2.gz CPBHVSUUAZYRGW-ZMSDIMECSA-N 1 3 361.452 2.594 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827595131 743608159 /nfs/dbraw/zinc/60/81/59/743608159.db2.gz XMIXBMRVPTVUTO-IVMMDQJWSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827595131 743608161 /nfs/dbraw/zinc/60/81/61/743608161.db2.gz XMIXBMRVPTVUTO-IVMMDQJWSA-N 1 3 352.910 2.670 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830708935 745412948 /nfs/dbraw/zinc/41/29/48/745412948.db2.gz UTDHIUXGSQNDLK-ZBFHGGJFSA-N 1 3 352.910 2.624 20 0 FFADHO C[C@H](NCCCC[NH+]1CCN(C)CC1)c1nc(Br)cs1 ZINC000834508029 745851254 /nfs/dbraw/zinc/85/12/54/745851254.db2.gz GQQKPMKHKYAFEI-LBPRGKRZSA-N 1 3 361.353 2.584 20 0 FFADHO Ic1ccccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000843120149 747776791 /nfs/dbraw/zinc/77/67/91/747776791.db2.gz CMZUUXGVJLDKHV-UHFFFAOYSA-N 1 3 356.251 2.867 20 0 FFADHO CC(C)C[C@H](N)C[NH+]1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000849352661 749109862 /nfs/dbraw/zinc/10/98/62/749109862.db2.gz OXRAQLVQBROULI-HOTGVXAUSA-N 1 3 363.468 2.873 20 0 FFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850490749 749372945 /nfs/dbraw/zinc/37/29/45/749372945.db2.gz GCPSOHDXUDEHGD-CYULLINESA-N 1 3 354.482 2.930 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC)C1 ZINC001104803732 970860138 /nfs/dbraw/zinc/86/01/38/970860138.db2.gz YDQHWPVUQYBIKL-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2c(C)nsc2C)C1 ZINC001104809509 970871819 /nfs/dbraw/zinc/87/18/19/970871819.db2.gz JERLXWYOCLZEDS-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001105067013 971448810 /nfs/dbraw/zinc/44/88/10/971448810.db2.gz JAXNGQOESXFAFJ-GGPKGHCWSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001105067206 971444266 /nfs/dbraw/zinc/44/42/66/971444266.db2.gz RMGNVBISEKJGST-NUJGCVRESA-N 1 3 364.559 2.592 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cs1 ZINC001105067156 971444982 /nfs/dbraw/zinc/44/49/82/971444982.db2.gz PLIUNCGPJGKQPG-CRAIPNDOSA-N 1 3 351.560 2.971 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000660333755 971617495 /nfs/dbraw/zinc/61/74/95/971617495.db2.gz DSGQNYVOHQDOGU-FQEVSTJZSA-N 1 3 372.557 2.866 20 0 FFADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000651477407 971664277 /nfs/dbraw/zinc/66/42/77/971664277.db2.gz IJSUJZSFJNWQKH-XDWAVFMPSA-N 1 3 355.526 2.921 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896744744 971687673 /nfs/dbraw/zinc/68/76/73/971687673.db2.gz DEENASRSNVWBER-PXNSSMCTSA-N 1 3 361.530 2.925 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896744744 971687675 /nfs/dbraw/zinc/68/76/75/971687675.db2.gz DEENASRSNVWBER-PXNSSMCTSA-N 1 3 361.530 2.925 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087992687 971735264 /nfs/dbraw/zinc/73/52/64/971735264.db2.gz HBTZEJBZICNXRP-UALDFRBJSA-N 1 3 367.537 2.820 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087992687 971735270 /nfs/dbraw/zinc/73/52/70/971735270.db2.gz HBTZEJBZICNXRP-UALDFRBJSA-N 1 3 367.537 2.820 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@@H]3c3ccccc3)CC2)CC1 ZINC000660575925 972258777 /nfs/dbraw/zinc/25/87/77/972258777.db2.gz YHZWCQYPMIOLMB-NHCUHLMSSA-N 1 3 370.541 2.790 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(C)nc3C3CC3)CC2)CC1 ZINC000655050482 959349499 /nfs/dbraw/zinc/34/94/99/959349499.db2.gz SHJOXJTYXNRJIO-UHFFFAOYSA-N 1 3 371.529 2.797 20 0 FFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1ccccc1 ZINC001211662048 972527314 /nfs/dbraw/zinc/52/73/14/972527314.db2.gz PXRHSNSFQCIUHS-CEXWTWQISA-N 1 3 361.505 2.661 20 0 FFADHO c1cn2c(n1)[C@H](NCCCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000655699583 961103132 /nfs/dbraw/zinc/10/31/32/961103132.db2.gz DLBDBCKIINRLPE-HXUWFJFHSA-N 1 3 353.514 2.910 20 0 FFADHO Cc1cc(O)cc(C)c1C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001275959312 1013233132 /nfs/dbraw/zinc/23/31/32/1013233132.db2.gz WCIODASOQXNYRR-OAQYLSRUSA-N 1 3 359.514 2.528 20 0 FFADHO Cc1cc(O)cc(C)c1C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001275959312 1013233141 /nfs/dbraw/zinc/23/31/41/1013233141.db2.gz WCIODASOQXNYRR-OAQYLSRUSA-N 1 3 359.514 2.528 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000653107961 961826170 /nfs/dbraw/zinc/82/61/70/961826170.db2.gz DKDNTCSLLWQUKR-UHFFFAOYSA-N 1 3 351.494 2.844 20 0 FFADHO CN1CCC2(CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)C1=O ZINC000683726223 961980405 /nfs/dbraw/zinc/98/04/05/961980405.db2.gz XNGPDGQMVSTKOJ-UHFFFAOYSA-N 1 3 371.525 2.606 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424116 1013332341 /nfs/dbraw/zinc/33/23/41/1013332341.db2.gz FYEKXJFUWVIFNU-CZYKHXBRSA-N 1 3 367.537 2.812 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001095424625 1013333488 /nfs/dbraw/zinc/33/34/88/1013333488.db2.gz XRPXHNSZMOSEGO-CZYKHXBRSA-N 1 3 367.537 2.867 20 0 FFADHO Cc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001104291813 962344466 /nfs/dbraw/zinc/34/44/66/962344466.db2.gz VYTVOYGWALACCP-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCc1ccccc1 ZINC001104294425 962376745 /nfs/dbraw/zinc/37/67/45/962376745.db2.gz PAIHHTDKRFANCE-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001104294442 962379420 /nfs/dbraw/zinc/37/94/20/962379420.db2.gz PZKHSQKOBPXBMO-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO [NH3+]CC1(N(Cc2ccccc2)c2cc(CN3CCCCC3)ccn2)COC1 ZINC001167367777 962413439 /nfs/dbraw/zinc/41/34/39/962413439.db2.gz ARDZYFISBQTJGY-UHFFFAOYSA-N 1 3 366.509 2.802 20 0 FFADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H](CN1CCCC1)c1ccccc1 ZINC000891349066 963366884 /nfs/dbraw/zinc/36/68/84/963366884.db2.gz GSPAWQISXBEIMJ-GSEOLPGOSA-N 1 3 356.514 2.653 20 0 FFADHO C[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000873233949 1013436119 /nfs/dbraw/zinc/43/61/19/1013436119.db2.gz CDNNWMFIFBANSI-APWZRJJASA-N 1 3 352.482 2.827 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)c(C)c2)CC1 ZINC000873299907 1013466634 /nfs/dbraw/zinc/46/66/34/1013466634.db2.gz NWAMCFHHNJYGCX-PZJWPPBQSA-N 1 3 371.529 2.543 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](OC)C2CCC2)C1 ZINC001104362890 964094070 /nfs/dbraw/zinc/09/40/70/964094070.db2.gz OEEWYYOZTMMATH-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3cc(F)ccc3C)C2)CC[N@@H+]1C ZINC000971567662 964187119 /nfs/dbraw/zinc/18/71/19/964187119.db2.gz UFTCZAFVTWNTSJ-SLFFLAALSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3cc(F)ccc3C)C2)CC[N@H+]1C ZINC000971567662 964187122 /nfs/dbraw/zinc/18/71/22/964187122.db2.gz UFTCZAFVTWNTSJ-SLFFLAALSA-N 1 3 361.505 2.897 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000891495742 964388892 /nfs/dbraw/zinc/38/88/92/964388892.db2.gz RXXTWUAKHNUCPK-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000891495742 964388902 /nfs/dbraw/zinc/38/89/02/964388902.db2.gz RXXTWUAKHNUCPK-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638312724 964732543 /nfs/dbraw/zinc/73/25/43/964732543.db2.gz WXFVUGXDFXHTHN-UHFFFAOYSA-N 1 3 370.541 2.873 20 0 FFADHO CCN(C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)[C@@H]1CCN(C)C1 ZINC000664692526 964966905 /nfs/dbraw/zinc/96/69/05/964966905.db2.gz NBDLHZNEOWUULO-WOJBJXKFSA-N 1 3 360.546 2.879 20 0 FFADHO CCN(C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[C@@H]1CCN(C)C1 ZINC000664692526 964966916 /nfs/dbraw/zinc/96/69/16/964966916.db2.gz NBDLHZNEOWUULO-WOJBJXKFSA-N 1 3 360.546 2.879 20 0 FFADHO CCN1CCN(c2ccc(Nc3cc[nH+]c(N4CCOCC4)c3)cc2)CC1 ZINC001175783862 1013559398 /nfs/dbraw/zinc/55/93/98/1013559398.db2.gz XYDPFCCABPPWLJ-UHFFFAOYSA-N 1 3 367.497 2.804 20 0 FFADHO CCOc1ccc([C@@H]2CCN(CC)C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001087470552 965353275 /nfs/dbraw/zinc/35/32/75/965353275.db2.gz KFZUJBGBSFLBSR-DBOLQNLKSA-N 1 3 373.541 2.720 20 0 FFADHO CCOc1ccc([C@@H]2CCN(CC)C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001087470552 965353280 /nfs/dbraw/zinc/35/32/80/965353280.db2.gz KFZUJBGBSFLBSR-DBOLQNLKSA-N 1 3 373.541 2.720 20 0 FFADHO COC(=O)c1[nH]c2ccccc2c1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000894567163 965487868 /nfs/dbraw/zinc/48/78/68/965487868.db2.gz SMAYTBJCMZWHMC-HNNXBMFYSA-N 1 3 359.470 2.545 20 0 FFADHO C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](CNCc2nccs2)C1 ZINC001087186542 965500357 /nfs/dbraw/zinc/50/03/57/965500357.db2.gz UTFSLZWRSAHGLD-PBHICJAKSA-N 1 3 369.494 2.821 20 0 FFADHO C[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000894749920 965665664 /nfs/dbraw/zinc/66/56/64/965665664.db2.gz DQDLWYBHMNQVMN-OXJNMPFZSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](CNCc2cncs2)C1 ZINC001087205138 966312516 /nfs/dbraw/zinc/31/25/16/966312516.db2.gz BLKZEQNPPMYGOZ-QZWWFDLISA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](CNCc2cncs2)C1 ZINC001087205138 966312525 /nfs/dbraw/zinc/31/25/25/966312525.db2.gz BLKZEQNPPMYGOZ-QZWWFDLISA-N 1 3 364.559 2.590 20 0 FFADHO Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCC[C@H]2C)s1 ZINC001087212538 966575973 /nfs/dbraw/zinc/57/59/73/966575973.db2.gz GCMKPLHAGHVPEN-INMHGKMJSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001087219853 966756766 /nfs/dbraw/zinc/75/67/66/966756766.db2.gz RYAUZPIIHNMWMT-BEFAXECRSA-N 1 3 365.481 2.850 20 0 FFADHO COc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc(OC)c1 ZINC000657595286 966940281 /nfs/dbraw/zinc/94/02/81/966940281.db2.gz OGGMXWOWEYXQFW-IBGZPJMESA-N 1 3 356.466 2.560 20 0 FFADHO COc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc(OC)c1 ZINC000657595286 966940283 /nfs/dbraw/zinc/94/02/83/966940283.db2.gz OGGMXWOWEYXQFW-IBGZPJMESA-N 1 3 356.466 2.560 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)C1 ZINC000657595739 966943926 /nfs/dbraw/zinc/94/39/26/966943926.db2.gz RXGDXHDNYLRQQH-OAQYLSRUSA-N 1 3 366.509 2.538 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)C1 ZINC000657595739 966943932 /nfs/dbraw/zinc/94/39/32/966943932.db2.gz RXGDXHDNYLRQQH-OAQYLSRUSA-N 1 3 366.509 2.538 20 0 FFADHO CN(C)C(=O)c1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613860 966963189 /nfs/dbraw/zinc/96/31/89/966963189.db2.gz USEDAIWPCNXPKZ-UHFFFAOYSA-N 1 3 366.509 2.785 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccnn3-c3ccc(F)cc3)C2)C1 ZINC000650708363 967558326 /nfs/dbraw/zinc/55/83/26/967558326.db2.gz YRSGJQJTEVLLRB-MDYRTPRTSA-N 1 3 358.461 2.730 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3C3CC3)cc2)CC1 ZINC000728571864 967632423 /nfs/dbraw/zinc/63/24/23/967632423.db2.gz OVTCBAHSEFALEI-FQEVSTJZSA-N 1 3 356.514 2.641 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3C3CC3)cc2)CC1 ZINC000728571864 967632428 /nfs/dbraw/zinc/63/24/28/967632428.db2.gz OVTCBAHSEFALEI-FQEVSTJZSA-N 1 3 356.514 2.641 20 0 FFADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000665277199 967967798 /nfs/dbraw/zinc/96/77/98/967967798.db2.gz WNCMCWIUUKVOKR-HLAWJBBLSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNCc2ccc(F)c(F)c2)C1 ZINC001087245222 967984268 /nfs/dbraw/zinc/98/42/68/967984268.db2.gz JOYXYTSLPOVKRZ-PVAVHDDUSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNCc2ccc(F)c(F)c2)C1 ZINC001087245222 967984277 /nfs/dbraw/zinc/98/42/77/967984277.db2.gz JOYXYTSLPOVKRZ-PVAVHDDUSA-N 1 3 365.468 2.633 20 0 FFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211616122 968029334 /nfs/dbraw/zinc/02/93/34/968029334.db2.gz XMBSNCBQEZTDRT-PWRODBHTSA-N 1 3 355.526 2.877 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001087671626 968566277 /nfs/dbraw/zinc/56/62/77/968566277.db2.gz HUPQBPWRRARLQR-RCCFBDPRSA-N 1 3 369.500 2.875 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CC(F)(F)C1 ZINC001087671626 968566282 /nfs/dbraw/zinc/56/62/82/968566282.db2.gz HUPQBPWRRARLQR-RCCFBDPRSA-N 1 3 369.500 2.875 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1sc(C)nc1C ZINC001087711107 968689257 /nfs/dbraw/zinc/68/92/57/968689257.db2.gz KJCGEXDCSHYPIO-DLBZAZTESA-N 1 3 364.559 2.571 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc4c3NCCC4)cc2)C1 ZINC000895247362 968761412 /nfs/dbraw/zinc/76/14/12/968761412.db2.gz AZAMXTLDVAJWDB-NRFANRHFSA-N 1 3 351.494 2.901 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4c3NCCC4)cc2)C1 ZINC000895247362 968761416 /nfs/dbraw/zinc/76/14/16/968761416.db2.gz AZAMXTLDVAJWDB-NRFANRHFSA-N 1 3 351.494 2.901 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[C@H](C)[NH+](C)C ZINC000895297531 969074195 /nfs/dbraw/zinc/07/41/95/969074195.db2.gz YKGZWLLQMQEUBC-CABCVRRESA-N 1 3 360.502 2.682 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@H](C)N(C)C ZINC000895297531 969074206 /nfs/dbraw/zinc/07/42/06/969074206.db2.gz YKGZWLLQMQEUBC-CABCVRRESA-N 1 3 360.502 2.682 20 0 FFADHO CN(c1cc(C2CC2)nc(C2CC2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892482895 969086563 /nfs/dbraw/zinc/08/65/63/969086563.db2.gz WGHNDRSHNAGIPS-GOSISDBHSA-N 1 3 355.530 2.836 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1cc(F)ccc1C ZINC001087796551 969100268 /nfs/dbraw/zinc/10/02/68/969100268.db2.gz FGQCPUNWQJYKGB-FFZOFVMBSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1cc(F)ccc1C ZINC001087796551 969100275 /nfs/dbraw/zinc/10/02/75/969100275.db2.gz FGQCPUNWQJYKGB-FFZOFVMBSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(F)cc1C ZINC001087799520 969102385 /nfs/dbraw/zinc/10/23/85/969102385.db2.gz ZRBKBJIMFPOZJJ-RBUKOAKNSA-N 1 3 359.489 2.699 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(OC)c(C)c1 ZINC001087799121 969112311 /nfs/dbraw/zinc/11/23/11/969112311.db2.gz FKTHUCYTCJMYTE-RBUKOAKNSA-N 1 3 371.525 2.569 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+]1CCC(C)CC1 ZINC000659031838 969646452 /nfs/dbraw/zinc/64/64/52/969646452.db2.gz OTJUIHRDRXERME-LPHOPBHVSA-N 1 3 360.502 2.589 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+](C)C ZINC000659031118 969647658 /nfs/dbraw/zinc/64/76/58/969647658.db2.gz AXNFJWKXXYGFCN-MOPGFXCFSA-N 1 3 362.518 2.835 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000659035364 969654609 /nfs/dbraw/zinc/65/46/09/969654609.db2.gz JUEJDKQFUXOXRP-FQEVSTJZSA-N 1 3 372.513 2.876 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@H]1NCc2ccccc21 ZINC000659307059 969813187 /nfs/dbraw/zinc/81/31/87/969813187.db2.gz KFGZJFRTIXPEQM-HXUWFJFHSA-N 1 3 355.457 2.951 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNCc1ccncc1Cl ZINC001104599338 969904908 /nfs/dbraw/zinc/90/49/08/969904908.db2.gz AEPZWPKGPFUMEH-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N(C)Cc1ccccc1 ZINC000659454147 969943229 /nfs/dbraw/zinc/94/32/29/969943229.db2.gz XSLQGHVXZVZSMG-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@]1(CNC[C@H](O)COc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311571629 970056780 /nfs/dbraw/zinc/05/67/80/970056780.db2.gz APOYNOCDXLBJEE-UNMCSNQZSA-N 1 3 354.494 2.928 20 0 FFADHO C[C@@]1(CNC[C@H](O)COc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311571629 970056789 /nfs/dbraw/zinc/05/67/89/970056789.db2.gz APOYNOCDXLBJEE-UNMCSNQZSA-N 1 3 354.494 2.928 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659586273 970057260 /nfs/dbraw/zinc/05/72/60/970057260.db2.gz VVPKAMRKBGRFKE-RTBURBONSA-N 1 3 364.509 2.500 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659613094 970076422 /nfs/dbraw/zinc/07/64/22/970076422.db2.gz YFFINJCSCPLABH-NSHGMRRFSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659613094 970076433 /nfs/dbraw/zinc/07/64/33/970076433.db2.gz YFFINJCSCPLABH-NSHGMRRFSA-N 1 3 370.541 2.681 20 0 FFADHO Cc1csc(CNCC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001104676535 970085080 /nfs/dbraw/zinc/08/50/80/970085080.db2.gz OIVXNHRTKNXVLD-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1csc(CNCC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001104676535 970085092 /nfs/dbraw/zinc/08/50/92/970085092.db2.gz OIVXNHRTKNXVLD-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC)OC ZINC001087839471 970524675 /nfs/dbraw/zinc/52/46/75/970524675.db2.gz CKMCAHDWWSAEFP-SLFFLAALSA-N 1 3 361.530 2.756 20 0 FFADHO CC[C@@H](C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC)OC ZINC001087839471 970524685 /nfs/dbraw/zinc/52/46/85/970524685.db2.gz CKMCAHDWWSAEFP-SLFFLAALSA-N 1 3 361.530 2.756 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@@H]3C2)cc1 ZINC001088106190 972809653 /nfs/dbraw/zinc/80/96/53/972809653.db2.gz POMKJLFBACNIMG-NRSPTQNISA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@@H]3C2)cc1 ZINC001088106190 972809660 /nfs/dbraw/zinc/80/96/60/972809660.db2.gz POMKJLFBACNIMG-NRSPTQNISA-N 1 3 355.526 2.760 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CCN(C/C=C/Cl)C[C@H]3C2)C1 ZINC001088106744 972825032 /nfs/dbraw/zinc/82/50/32/972825032.db2.gz OSHGEOMARXFAJC-WMQJWLIGSA-N 1 3 371.928 2.732 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@H]3CCN(C/C=C/Cl)C[C@H]3C2)C1 ZINC001088106744 972825041 /nfs/dbraw/zinc/82/50/41/972825041.db2.gz OSHGEOMARXFAJC-WMQJWLIGSA-N 1 3 371.928 2.732 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3ccc(C)cc3)CC[C@@H]2C1)N(C)C ZINC001088109727 972841813 /nfs/dbraw/zinc/84/18/13/972841813.db2.gz VIVNRDKDMRYNNO-HKBOAZHASA-N 1 3 357.542 2.658 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCc3ccc(C)cc3)CC[C@@H]2C1)N(C)C ZINC001088109727 972841823 /nfs/dbraw/zinc/84/18/23/972841823.db2.gz VIVNRDKDMRYNNO-HKBOAZHASA-N 1 3 357.542 2.658 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CC[C@@H]2C1 ZINC001088121510 972919779 /nfs/dbraw/zinc/91/97/79/972919779.db2.gz KPYRSRQHIPRFIQ-LQWHRVPQSA-N 1 3 364.493 2.810 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CC[C@@H]2C1 ZINC001088121510 972919789 /nfs/dbraw/zinc/91/97/89/972919789.db2.gz KPYRSRQHIPRFIQ-LQWHRVPQSA-N 1 3 364.493 2.810 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001088212581 973680042 /nfs/dbraw/zinc/68/00/42/973680042.db2.gz ARSPAMIISKENKI-HKBOAZHASA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001088212581 973680046 /nfs/dbraw/zinc/68/00/46/973680046.db2.gz ARSPAMIISKENKI-HKBOAZHASA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC001088212574 973680340 /nfs/dbraw/zinc/68/03/40/973680340.db2.gz ADGUSEWCTGKKCS-QYZOEREBSA-N 1 3 361.555 2.903 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC001088212574 973680347 /nfs/dbraw/zinc/68/03/47/973680347.db2.gz ADGUSEWCTGKKCS-QYZOEREBSA-N 1 3 361.555 2.903 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000665757459 974090904 /nfs/dbraw/zinc/09/09/04/974090904.db2.gz KVDLQYYJUXUNEZ-WMZOPIPTSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000665757459 974090913 /nfs/dbraw/zinc/09/09/13/974090913.db2.gz KVDLQYYJUXUNEZ-WMZOPIPTSA-N 1 3 364.509 2.597 20 0 FFADHO Cc1ccc2oc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2c1 ZINC000665763842 974093475 /nfs/dbraw/zinc/09/34/75/974093475.db2.gz NEIDNJFJFYBMRE-INIZCTEOSA-N 1 3 360.502 2.812 20 0 FFADHO Cc1ccc2oc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2c1 ZINC000665763842 974093482 /nfs/dbraw/zinc/09/34/82/974093482.db2.gz NEIDNJFJFYBMRE-INIZCTEOSA-N 1 3 360.502 2.812 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H](C[NH3+])CC(C)C)cc1 ZINC000662805792 974142855 /nfs/dbraw/zinc/14/28/55/974142855.db2.gz LXLLTWQBKUILDX-FXAWDEMLSA-N 1 3 361.530 2.959 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661398201 974218893 /nfs/dbraw/zinc/21/88/93/974218893.db2.gz ONXPRJQWZDPBJU-LJQANCHMSA-N 1 3 358.530 2.954 20 0 FFADHO [NH3+]CCC1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000652152638 974638633 /nfs/dbraw/zinc/63/86/33/974638633.db2.gz SLRMLTXBLLVAPJ-HXUWFJFHSA-N 1 3 358.530 2.984 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000652176779 974679719 /nfs/dbraw/zinc/67/97/19/974679719.db2.gz QINGUSQVLAWHFE-QGZVFWFLSA-N 1 3 354.498 2.726 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)c1ccco1 ZINC000652190885 974689455 /nfs/dbraw/zinc/68/94/55/974689455.db2.gz BKLIVRPKZXZIBK-CXAGYDPISA-N 1 3 362.449 2.806 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000047937349 974700576 /nfs/dbraw/zinc/70/05/76/974700576.db2.gz QZHCAGLSMHFCJA-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348233 974951694 /nfs/dbraw/zinc/95/16/94/974951694.db2.gz YFRUIZBIILICNN-VDRZXAFZSA-N 1 3 373.541 2.779 20 0 FFADHO NC[C@]12CCC[C@H]1C[N@H+](CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC000652351987 974979241 /nfs/dbraw/zinc/97/92/41/974979241.db2.gz RAUJIHCFWZBCSZ-ICSRJNTNSA-N 1 3 354.502 2.571 20 0 FFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC000652351987 974979246 /nfs/dbraw/zinc/97/92/46/974979246.db2.gz RAUJIHCFWZBCSZ-ICSRJNTNSA-N 1 3 354.502 2.571 20 0 FFADHO C#CCN1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000066921958 975033391 /nfs/dbraw/zinc/03/33/91/975033391.db2.gz NDEYYKOAZJCSOG-QFIPXVFZSA-N 1 3 367.537 2.921 20 0 FFADHO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662153664 975265425 /nfs/dbraw/zinc/26/54/25/975265425.db2.gz BNUKVRYQRXINJX-IBGZPJMESA-N 1 3 359.514 2.553 20 0 FFADHO COCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529909 975367307 /nfs/dbraw/zinc/36/73/07/975367307.db2.gz VFDVHKMXPZJZTE-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662254696 975385478 /nfs/dbraw/zinc/38/54/78/975385478.db2.gz TTYVUDREFBTYSX-LJQANCHMSA-N 1 3 368.456 2.867 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)Cc1ccccc1 ZINC000662347238 975449706 /nfs/dbraw/zinc/44/97/06/975449706.db2.gz ZCHFIMCETPQALO-NHCUHLMSSA-N 1 3 365.521 2.968 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000662446137 975551795 /nfs/dbraw/zinc/55/17/95/975551795.db2.gz XNGNZMQDUUABEE-SIKLNZKXSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000662446137 975551806 /nfs/dbraw/zinc/55/18/06/975551806.db2.gz XNGNZMQDUUABEE-SIKLNZKXSA-N 1 3 363.505 2.902 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995030 975592400 /nfs/dbraw/zinc/59/24/00/975592400.db2.gz AUFUCGLEOXRBIB-GJZGRUSLSA-N 1 3 361.486 2.685 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638500 975773837 /nfs/dbraw/zinc/77/38/37/975773837.db2.gz RNZBHZOKBXZVEV-WOJBJXKFSA-N 1 3 358.530 2.708 20 0 FFADHO [NH3+][C@H](CCC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000662636824 975778773 /nfs/dbraw/zinc/77/87/73/975778773.db2.gz DHUOYIJJJTXJSM-OAQYLSRUSA-N 1 3 366.509 2.890 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662670576 975809899 /nfs/dbraw/zinc/80/98/99/975809899.db2.gz WXQRQSBKYRQILX-SFHVURJKSA-N 1 3 353.470 2.713 20 0 FFADHO CC(C)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000663425308 975858502 /nfs/dbraw/zinc/85/85/02/975858502.db2.gz OYNOFDWXHDOBFN-HOTGVXAUSA-N 1 3 370.545 2.897 20 0 FFADHO CC(C)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000663425308 975858520 /nfs/dbraw/zinc/85/85/20/975858520.db2.gz OYNOFDWXHDOBFN-HOTGVXAUSA-N 1 3 370.545 2.897 20 0 FFADHO CC(C)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000663425310 975858616 /nfs/dbraw/zinc/85/86/16/975858616.db2.gz OYNOFDWXHDOBFN-JKSUJKDBSA-N 1 3 370.545 2.897 20 0 FFADHO CC(C)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000663425310 975858629 /nfs/dbraw/zinc/85/86/29/975858629.db2.gz OYNOFDWXHDOBFN-JKSUJKDBSA-N 1 3 370.545 2.897 20 0 FFADHO c1nc(N[C@@H]2CCN(C3CC3)C2)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1C1CC1 ZINC000663424495 975862140 /nfs/dbraw/zinc/86/21/40/975862140.db2.gz CPBAAWAIHYUULQ-HZPDHXFCSA-N 1 3 368.529 2.651 20 0 FFADHO c1nc(N[C@@H]2CCN(C3CC3)C2)nc(N[C@@H]2CC[N@H+](C3CC3)C2)c1C1CC1 ZINC000663424495 975862151 /nfs/dbraw/zinc/86/21/51/975862151.db2.gz CPBAAWAIHYUULQ-HZPDHXFCSA-N 1 3 368.529 2.651 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001167828147 976161414 /nfs/dbraw/zinc/16/14/14/976161414.db2.gz WTGIHSBQVNDNDD-CTNGQTDRSA-N 1 3 367.578 2.846 20 0 FFADHO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167841023 976491790 /nfs/dbraw/zinc/49/17/90/976491790.db2.gz JNXVZCQISYTPQT-OKZBNKHCSA-N 1 3 364.534 2.950 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000899020068 976867138 /nfs/dbraw/zinc/86/71/38/976867138.db2.gz SASWVSWPAPOQHH-WIYYLYMNSA-N 1 3 373.541 2.973 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000899020068 976867144 /nfs/dbraw/zinc/86/71/44/976867144.db2.gz SASWVSWPAPOQHH-WIYYLYMNSA-N 1 3 373.541 2.973 20 0 FFADHO [NH3+]Cc1cccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000667735350 976871536 /nfs/dbraw/zinc/87/15/36/976871536.db2.gz QXBMVPUDNRSFBS-HXUWFJFHSA-N 1 3 368.481 2.558 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cncc(C)c2)CC3)CC[N@@H+]1C ZINC000990758467 976912434 /nfs/dbraw/zinc/91/24/34/976912434.db2.gz ADCXPFAZVITGHK-GPQLQYNLSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cncc(C)c2)CC3)CC[N@H+]1C ZINC000990758467 976912439 /nfs/dbraw/zinc/91/24/39/976912439.db2.gz ADCXPFAZVITGHK-GPQLQYNLSA-N 1 3 370.541 2.734 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000667788895 977034652 /nfs/dbraw/zinc/03/46/52/977034652.db2.gz MGSUAKZPPXFLLT-UHFFFAOYSA-N 1 3 365.481 2.513 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000667799415 977051124 /nfs/dbraw/zinc/05/11/24/977051124.db2.gz VHHBQRLEOPJJSQ-UHFFFAOYSA-N 1 3 359.518 2.607 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)C1 ZINC001211707561 977319197 /nfs/dbraw/zinc/31/91/97/977319197.db2.gz ZIIFGZQMPQAHQQ-QZNDEENZSA-N 1 3 361.917 2.665 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)C1 ZINC001211707561 977319202 /nfs/dbraw/zinc/31/92/02/977319202.db2.gz ZIIFGZQMPQAHQQ-QZNDEENZSA-N 1 3 361.917 2.665 20 0 FFADHO CC(C)(C)OC(=O)Nc1ccc(CNCC2CC[NH+](C3CC3)CC2)nn1 ZINC000894067556 977653154 /nfs/dbraw/zinc/65/31/54/977653154.db2.gz MOKXMBUFIFUGPU-UHFFFAOYSA-N 1 3 361.490 2.788 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3cccc(C(F)F)c3)C2)CC[N@@H+]1C ZINC001028549659 978028209 /nfs/dbraw/zinc/02/82/09/978028209.db2.gz UMPDIRSRMLTZDQ-UWWQBHOKSA-N 1 3 365.468 2.903 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3cccc(C(F)F)c3)C2)CC[N@H+]1C ZINC001028549659 978028216 /nfs/dbraw/zinc/02/82/16/978028216.db2.gz UMPDIRSRMLTZDQ-UWWQBHOKSA-N 1 3 365.468 2.903 20 0 FFADHO c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)CCN2C2CC2)cc1 ZINC000877022252 1014452783 /nfs/dbraw/zinc/45/27/83/1014452783.db2.gz RPCLBYCGWZKUOM-NMIHRBCNSA-N 1 3 355.526 2.807 20 0 FFADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000877030361 1014454708 /nfs/dbraw/zinc/45/47/08/1014454708.db2.gz DXBYSGIQXDATCO-HKJQZYRSSA-N 1 3 353.510 2.765 20 0 FFADHO CN(C(=O)CCCC[NH+]1CCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000729355300 978250230 /nfs/dbraw/zinc/25/02/30/978250230.db2.gz XTAVCJIVCHFSNP-UHFFFAOYSA-N 1 3 372.557 2.813 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2cc(F)ccc2F)CC[N@@H+]1C ZINC001268793621 978397804 /nfs/dbraw/zinc/39/78/04/978397804.db2.gz VRUYWLXTBCDVPS-FUHWJXTLSA-N 1 3 353.457 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2cc(F)ccc2F)CC[N@H+]1C ZINC001268793621 978397815 /nfs/dbraw/zinc/39/78/15/978397815.db2.gz VRUYWLXTBCDVPS-FUHWJXTLSA-N 1 3 353.457 2.633 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c1 ZINC001076242941 979275301 /nfs/dbraw/zinc/27/53/01/979275301.db2.gz XJMJXGMEIBXOQC-HFSMHLIXSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c1 ZINC001076242941 979275308 /nfs/dbraw/zinc/27/53/08/979275308.db2.gz XJMJXGMEIBXOQC-HFSMHLIXSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001076244234 979276707 /nfs/dbraw/zinc/27/67/07/979276707.db2.gz MQNJJWYCKXKVJU-PIPMEXSNSA-N 1 3 367.537 2.939 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001076244234 979276713 /nfs/dbraw/zinc/27/67/13/979276713.db2.gz MQNJJWYCKXKVJU-PIPMEXSNSA-N 1 3 367.537 2.939 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc5cc[nH]c5c4)C[C@H]32)C1 ZINC001076244556 979279101 /nfs/dbraw/zinc/27/91/01/979279101.db2.gz SZUZKRIBCCWEDN-LKUPVBHCSA-N 1 3 366.509 2.542 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc5cc[nH]c5c4)C[C@H]32)C1 ZINC001076244556 979279111 /nfs/dbraw/zinc/27/91/11/979279111.db2.gz SZUZKRIBCCWEDN-LKUPVBHCSA-N 1 3 366.509 2.542 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000877495664 1014600220 /nfs/dbraw/zinc/60/02/20/1014600220.db2.gz DMUPWOPZTFWQMK-JOCHJYFZSA-N 1 3 359.558 2.724 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@@H](NC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001168368321 980058560 /nfs/dbraw/zinc/05/85/60/980058560.db2.gz ICVKRKPOMPUXON-YTQUADARSA-N 1 3 361.530 2.872 20 0 FFADHO Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)ccn1 ZINC001211914385 980751681 /nfs/dbraw/zinc/75/16/81/980751681.db2.gz ACJAOXXXKWFBKE-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)ccn1 ZINC001211914385 980751683 /nfs/dbraw/zinc/75/16/83/980751683.db2.gz ACJAOXXXKWFBKE-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ccnc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211914642 980782522 /nfs/dbraw/zinc/78/25/22/980782522.db2.gz BVTWGDAOHLLOBN-KRWDZBQOSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ccnc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211914642 980782527 /nfs/dbraw/zinc/78/25/27/980782527.db2.gz BVTWGDAOHLLOBN-KRWDZBQOSA-N 1 3 361.449 2.629 20 0 FFADHO CC(C)(C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCCCC1 ZINC000906686025 981121874 /nfs/dbraw/zinc/12/18/74/981121874.db2.gz MKXYNMUXVKQJNG-UHFFFAOYSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088571798 981165384 /nfs/dbraw/zinc/16/53/84/981165384.db2.gz NYORETMHDOIEEM-YSGRDPCXSA-N 1 3 366.509 2.589 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000729618688 981171039 /nfs/dbraw/zinc/17/10/39/981171039.db2.gz FHCYHBAPCGEGJV-NRFANRHFSA-N 1 3 374.573 2.923 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000729618688 981171044 /nfs/dbraw/zinc/17/10/44/981171044.db2.gz FHCYHBAPCGEGJV-NRFANRHFSA-N 1 3 374.573 2.923 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000841694644 981192539 /nfs/dbraw/zinc/19/25/39/981192539.db2.gz ICENPPPVLCZOIY-NRFANRHFSA-N 1 3 366.509 2.824 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000654445025 1014719525 /nfs/dbraw/zinc/71/95/25/1014719525.db2.gz IJFLBAVTFJNMFO-SXLOBPIMSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1cccc(C)c1OCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001088577218 981282583 /nfs/dbraw/zinc/28/25/83/981282583.db2.gz GUODFGCAYZHKBR-WTGUMLROSA-N 1 3 373.541 2.601 20 0 FFADHO Cc1cccc(C)c1OCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001088577218 981282585 /nfs/dbraw/zinc/28/25/85/981282585.db2.gz GUODFGCAYZHKBR-WTGUMLROSA-N 1 3 373.541 2.601 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)C1 ZINC000650707765 1014746165 /nfs/dbraw/zinc/74/61/65/1014746165.db2.gz MOXWFXXYQOOHIC-NRSPTQNISA-N 1 3 372.488 2.789 20 0 FFADHO Cc1cc(-n2cccn2)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666862031 982247222 /nfs/dbraw/zinc/24/72/22/982247222.db2.gz SKBIQQHHNBMOQY-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1cc(-n2cccn2)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666862031 982247228 /nfs/dbraw/zinc/24/72/28/982247228.db2.gz SKBIQQHHNBMOQY-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO COC(=O)c1ccc2cc(CCNC3CC[NH+](CC(C)(C)O)CC3)oc2c1 ZINC000898222010 982654495 /nfs/dbraw/zinc/65/44/95/982654495.db2.gz BGVKRDIZAHAPGZ-UHFFFAOYSA-N 1 3 374.481 2.587 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000878182537 1014904317 /nfs/dbraw/zinc/90/43/17/1014904317.db2.gz MMYQKOFQGBOXNG-IBGZPJMESA-N 1 3 360.502 2.513 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CC[C@H](c3ccccc3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878323846 1014985398 /nfs/dbraw/zinc/98/53/98/1014985398.db2.gz DWQDVDQEBJCJNI-RYFAJOAYSA-N 1 3 357.542 2.865 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913289420 984233130 /nfs/dbraw/zinc/23/31/30/984233130.db2.gz VCHAYSKHQWEDQM-SFTDATJTSA-N 1 3 355.482 2.908 20 0 FFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCCCF)CC3)CCC1 ZINC001107436541 984537282 /nfs/dbraw/zinc/53/72/82/984537282.db2.gz BZVVRPDPXKTLMV-IEBWSBKVSA-N 1 3 353.526 2.971 20 0 FFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCCCF)CC3)CCC1 ZINC001107436541 984537286 /nfs/dbraw/zinc/53/72/86/984537286.db2.gz BZVVRPDPXKTLMV-IEBWSBKVSA-N 1 3 353.526 2.971 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2)N(C)C ZINC001107444611 984545699 /nfs/dbraw/zinc/54/56/99/984545699.db2.gz RJKOOUYDJCXOGS-SVFBPWRDSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2)N(C)C ZINC001107444611 984545703 /nfs/dbraw/zinc/54/57/03/984545703.db2.gz RJKOOUYDJCXOGS-SVFBPWRDSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2)N1CCCC1 ZINC001107494852 984597124 /nfs/dbraw/zinc/59/71/24/984597124.db2.gz CKHZLTYWVKAGDU-DENIHFKCSA-N 1 3 370.541 2.817 20 0 FFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2)N1CCCC1 ZINC001107494852 984597131 /nfs/dbraw/zinc/59/71/31/984597131.db2.gz CKHZLTYWVKAGDU-DENIHFKCSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669483522 984648503 /nfs/dbraw/zinc/64/85/03/984648503.db2.gz AJMBBSOPOHUXPE-XRXFAXGQSA-N 1 3 370.541 2.901 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCF)CC3)C1 ZINC001107549848 984667266 /nfs/dbraw/zinc/66/72/66/984667266.db2.gz HOYUBBKKBDZRID-NSISKUIASA-N 1 3 371.516 2.919 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCF)CC3)C1 ZINC001107549848 984667274 /nfs/dbraw/zinc/66/72/74/984667274.db2.gz HOYUBBKKBDZRID-NSISKUIASA-N 1 3 371.516 2.919 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cccs1)CC2)N(C)C ZINC001107554967 984686882 /nfs/dbraw/zinc/68/68/82/984686882.db2.gz PDPASTVSPPEWJF-NLWGTHIKSA-N 1 3 363.571 2.992 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1cccs1)CC2)N(C)C ZINC001107554967 984686889 /nfs/dbraw/zinc/68/68/89/984686889.db2.gz PDPASTVSPPEWJF-NLWGTHIKSA-N 1 3 363.571 2.992 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](C)OC)CC2 ZINC001107581654 984742930 /nfs/dbraw/zinc/74/29/30/984742930.db2.gz HVECOGCBCKEDBP-QKNQBKEWSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](C)OC)CC2 ZINC001107581654 984742936 /nfs/dbraw/zinc/74/29/36/984742936.db2.gz HVECOGCBCKEDBP-QKNQBKEWSA-N 1 3 367.578 2.894 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCC(C)C)CC2 ZINC001107617653 984842289 /nfs/dbraw/zinc/84/22/89/984842289.db2.gz MKYFNEORKONDHM-TZIWHRDSSA-N 1 3 367.578 2.752 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCC(C)C)CC2 ZINC001107617653 984842301 /nfs/dbraw/zinc/84/23/01/984842301.db2.gz MKYFNEORKONDHM-TZIWHRDSSA-N 1 3 367.578 2.752 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)N(C)C)cc1 ZINC000669586980 984864263 /nfs/dbraw/zinc/86/42/63/984864263.db2.gz GAPVVTZXGMDRAN-TYPHKJRUSA-N 1 3 372.557 2.881 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCN1Cc1ccccc1 ZINC000669587482 984866465 /nfs/dbraw/zinc/86/64/65/984866465.db2.gz KWAMOSKNBNBUKU-IERDGZPVSA-N 1 3 364.493 2.752 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC001032413996 985287339 /nfs/dbraw/zinc/28/73/39/985287339.db2.gz XLZFVXRRSSPRPN-XLAORIBOSA-N 1 3 369.500 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC001032413996 985287345 /nfs/dbraw/zinc/28/73/45/985287345.db2.gz XLZFVXRRSSPRPN-XLAORIBOSA-N 1 3 369.500 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000997596227 985581686 /nfs/dbraw/zinc/58/16/86/985581686.db2.gz LFJVTMPGBSEOFF-FFZOFVMBSA-N 1 3 358.530 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(Cc3ccccn3)CC2)CC[N@H+]1C ZINC000997596227 985581705 /nfs/dbraw/zinc/58/17/05/985581705.db2.gz LFJVTMPGBSEOFF-FFZOFVMBSA-N 1 3 358.530 2.529 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1C ZINC001088970615 985684427 /nfs/dbraw/zinc/68/44/27/985684427.db2.gz HSNNLVINNQPXFO-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1C ZINC001088970615 985684435 /nfs/dbraw/zinc/68/44/35/985684435.db2.gz HSNNLVINNQPXFO-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001088971219 985689058 /nfs/dbraw/zinc/68/90/58/985689058.db2.gz GSUOWMNHOLULQN-UTKZUKDTSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CC[C@@H]1CCCO1 ZINC001089060417 986143604 /nfs/dbraw/zinc/14/36/04/986143604.db2.gz KYVSNFGQWFKRAS-KPFFTGBYSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CC[C@@H]1CCCO1 ZINC001089060417 986143609 /nfs/dbraw/zinc/14/36/09/986143609.db2.gz KYVSNFGQWFKRAS-KPFFTGBYSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@]1(CNC[C@@H](O)COc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311571616 986467712 /nfs/dbraw/zinc/46/77/12/986467712.db2.gz APOYNOCDXLBJEE-IFMALSPDSA-N 1 3 354.494 2.928 20 0 FFADHO C[C@]1(CNC[C@@H](O)COc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311571616 986467718 /nfs/dbraw/zinc/46/77/18/986467718.db2.gz APOYNOCDXLBJEE-IFMALSPDSA-N 1 3 354.494 2.928 20 0 FFADHO C#CCN1CCC(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000075630670 986993169 /nfs/dbraw/zinc/99/31/69/986993169.db2.gz NAUYPVOXGLGSNO-NRFANRHFSA-N 1 3 353.510 2.675 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001106133325 987034490 /nfs/dbraw/zinc/03/44/90/987034490.db2.gz JIASPDXQOCQWBQ-QZTJIDSGSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000913948494 987061198 /nfs/dbraw/zinc/06/11/98/987061198.db2.gz JVMYFISQRCSARM-UXHICEINSA-N 1 3 369.513 2.677 20 0 FFADHO CO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001212452889 987393203 /nfs/dbraw/zinc/39/32/03/987393203.db2.gz KUGGIVCGSINQOT-QZTJIDSGSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000921980022 987432351 /nfs/dbraw/zinc/43/23/51/987432351.db2.gz IGFOEOFESOIJHS-IIBYNOLFSA-N 1 3 352.478 2.866 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000921980022 987432355 /nfs/dbraw/zinc/43/23/55/987432355.db2.gz IGFOEOFESOIJHS-IIBYNOLFSA-N 1 3 352.478 2.866 20 0 FFADHO Cc1cccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311405006 987662623 /nfs/dbraw/zinc/66/26/23/987662623.db2.gz WATPUWZRDCSZKZ-RTWAWAEBSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1cccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311405006 987662627 /nfs/dbraw/zinc/66/26/27/987662627.db2.gz WATPUWZRDCSZKZ-RTWAWAEBSA-N 1 3 354.494 2.846 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000672942826 987685269 /nfs/dbraw/zinc/68/52/69/987685269.db2.gz LRJHHCSYUOTPBK-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1cccc(CCC[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001106249235 987756297 /nfs/dbraw/zinc/75/62/97/987756297.db2.gz DEHKWNASTVIOGQ-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO CCc1nc(CNC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]2C)cs1 ZINC001106336052 987972715 /nfs/dbraw/zinc/97/27/15/987972715.db2.gz AKUQXEMCYIQJRH-HUUCEWRRSA-N 1 3 366.575 2.620 20 0 FFADHO CCc1nc(CNC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]2C)cs1 ZINC001106336052 987972728 /nfs/dbraw/zinc/97/27/28/987972728.db2.gz AKUQXEMCYIQJRH-HUUCEWRRSA-N 1 3 366.575 2.620 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2csc(C)c2)[C@H](C)C1 ZINC001106339914 987982046 /nfs/dbraw/zinc/98/20/46/987982046.db2.gz FRNOEQNGQQELRL-RHSMWYFYSA-N 1 3 351.560 2.971 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(NC(C)=O)c3)C2)[C@H]1C(C)C ZINC000922391824 988549647 /nfs/dbraw/zinc/54/96/47/988549647.db2.gz ABAKITKYTPQBNK-NCYKPQTJSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(NC(C)=O)c3)C2)[C@H]1C(C)C ZINC000922391824 988549650 /nfs/dbraw/zinc/54/96/50/988549650.db2.gz ABAKITKYTPQBNK-NCYKPQTJSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@H]1C(C)C ZINC000922392869 988553350 /nfs/dbraw/zinc/55/33/50/988553350.db2.gz HZXNDVCOXVXFFE-NEYJZJCJSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@H]1C(C)C ZINC000922392869 988553357 /nfs/dbraw/zinc/55/33/57/988553357.db2.gz HZXNDVCOXVXFFE-NEYJZJCJSA-N 1 3 360.546 2.734 20 0 FFADHO C[C@H](CN[C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C[NH+]1CCCCC1 ZINC000699665424 988562550 /nfs/dbraw/zinc/56/25/50/988562550.db2.gz NOPXYIBUZXEGBL-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CN1CCCCC1 ZINC000699665424 988562560 /nfs/dbraw/zinc/56/25/60/988562560.db2.gz NOPXYIBUZXEGBL-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@@H]1C(C)C ZINC000922396624 988565719 /nfs/dbraw/zinc/56/57/19/988565719.db2.gz YRQOIIADEOXTAD-YJMBLLCNSA-N 1 3 357.542 2.920 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@@H]1C(C)C ZINC000922396624 988565726 /nfs/dbraw/zinc/56/57/26/988565726.db2.gz YRQOIIADEOXTAD-YJMBLLCNSA-N 1 3 357.542 2.920 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001106666258 988609539 /nfs/dbraw/zinc/60/95/39/988609539.db2.gz ICRKXGKQWAPWTE-ZZFQSTSSSA-N 1 3 359.917 2.636 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCc3ccsc3)[C@H](C)C2)C1 ZINC001106666643 988609901 /nfs/dbraw/zinc/60/99/01/988609901.db2.gz PEEBGJZDYYPIHN-ZHALLVOQSA-N 1 3 363.571 2.707 20 0 FFADHO Cc1cccnc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672420 988620991 /nfs/dbraw/zinc/62/09/91/988620991.db2.gz UWNRGRDMUVTCOR-QZTJIDSGSA-N 1 3 360.546 2.552 20 0 FFADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cc(C(=O)OC)c1 ZINC000879250427 1015439006 /nfs/dbraw/zinc/43/90/06/1015439006.db2.gz UTLXOPGUNOJSCJ-UHFFFAOYSA-N 1 3 374.481 2.568 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOC2CCC2)[C@H](C)C1 ZINC001106775410 989015001 /nfs/dbraw/zinc/01/50/01/989015001.db2.gz CJDVXVKNZBIWCX-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000652141622 1015475758 /nfs/dbraw/zinc/47/57/58/1015475758.db2.gz VLFWNXJPQKWXSW-FQEVSTJZSA-N 1 3 354.498 2.817 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)[C@H]1c1ccccc1 ZINC000652174036 1015486791 /nfs/dbraw/zinc/48/67/91/1015486791.db2.gz FUZFFUXZPSEPIA-RBUKOAKNSA-N 1 3 356.445 2.529 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CN1C1CC1 ZINC000674707654 989889528 /nfs/dbraw/zinc/88/95/28/989889528.db2.gz NNWRSHHRMCOLAT-HKUYNNGSSA-N 1 3 362.562 2.909 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)C[NH+]3CCCC3)cc2)CC1 ZINC000916671251 989894108 /nfs/dbraw/zinc/89/41/08/989894108.db2.gz JVDOYSLZYWNNLP-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000675177029 990095083 /nfs/dbraw/zinc/09/50/83/990095083.db2.gz HGOPDBFNUBFCLI-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000675200679 990108364 /nfs/dbraw/zinc/10/83/64/990108364.db2.gz VRVHJTLWYFLPSU-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)cc2F)CC[N@@H+]1C ZINC001034941004 990324675 /nfs/dbraw/zinc/32/46/75/990324675.db2.gz KMHLHKVLECVFII-ZIFCJYIRSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)cc2F)CC[N@H+]1C ZINC001034941004 990324678 /nfs/dbraw/zinc/32/46/78/990324678.db2.gz KMHLHKVLECVFII-ZIFCJYIRSA-N 1 3 365.468 2.776 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC001106910856 991533378 /nfs/dbraw/zinc/53/33/78/991533378.db2.gz RZACIMWIAZRYAT-RBSFLKMASA-N 1 3 364.361 2.596 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)CCOc2cccc(C)c2)CC[N@@H+]1C ZINC001485305783 991901328 /nfs/dbraw/zinc/90/13/28/991901328.db2.gz GUCASJPXTKYCQW-YSIASYRMSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)CCOc2cccc(C)c2)CC[N@H+]1C ZINC001485305783 991901338 /nfs/dbraw/zinc/90/13/38/991901338.db2.gz GUCASJPXTKYCQW-YSIASYRMSA-N 1 3 361.530 2.541 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3cccc(C[NH3+])c3)c(C)c2)CC1 ZINC000826131599 1015705872 /nfs/dbraw/zinc/70/58/72/1015705872.db2.gz RPTBEYCYEPHKCL-UHFFFAOYSA-N 1 3 352.482 2.848 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C ZINC001079806753 992460920 /nfs/dbraw/zinc/46/09/20/992460920.db2.gz WJAOHUFWVQZZGV-HMXCVIKNSA-N 1 3 357.542 2.930 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC001079806753 992460925 /nfs/dbraw/zinc/46/09/25/992460925.db2.gz WJAOHUFWVQZZGV-HMXCVIKNSA-N 1 3 357.542 2.930 20 0 FFADHO c1nc(-c2ccccc2)nn1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183521470 992466990 /nfs/dbraw/zinc/46/69/90/992466990.db2.gz JSJMNMWSSLHUHW-UHFFFAOYSA-N 1 3 369.513 2.727 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080255301 992893054 /nfs/dbraw/zinc/89/30/54/992893054.db2.gz VNVHVVLTELCNRH-SJLPKXTDSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080255301 992893060 /nfs/dbraw/zinc/89/30/60/992893060.db2.gz VNVHVVLTELCNRH-SJLPKXTDSA-N 1 3 363.571 2.992 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cccs2)[C@H](C)C1 ZINC001107037262 993291307 /nfs/dbraw/zinc/29/13/07/993291307.db2.gz ZMCJMHFOTWUVFG-ZHALLVOQSA-N 1 3 363.571 2.849 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@H](C)C1 ZINC001107039430 993299738 /nfs/dbraw/zinc/29/97/38/993299738.db2.gz RJGQGJZNYNXPGM-SJLPKXTDSA-N 1 3 357.498 2.957 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080779304 993357641 /nfs/dbraw/zinc/35/76/41/993357641.db2.gz JJKJEKPHNMYMND-JTDSTZFVSA-N 1 3 355.482 2.711 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080779304 993357645 /nfs/dbraw/zinc/35/76/45/993357645.db2.gz JJKJEKPHNMYMND-JTDSTZFVSA-N 1 3 355.482 2.711 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1)C1CC1 ZINC001081125611 993652669 /nfs/dbraw/zinc/65/26/69/993652669.db2.gz IZNAZQCAGPTXHP-PWRODBHTSA-N 1 3 355.526 2.711 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H](OC)C1 ZINC001081799184 993977053 /nfs/dbraw/zinc/97/70/53/993977053.db2.gz GQZTXWPHIDPIMQ-HSALFYBXSA-N 1 3 365.562 2.645 20 0 FFADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H](OC)C1 ZINC001081799184 993977060 /nfs/dbraw/zinc/97/70/60/993977060.db2.gz GQZTXWPHIDPIMQ-HSALFYBXSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810612575 994851743 /nfs/dbraw/zinc/85/17/43/994851743.db2.gz GFBCXIQEIADWCJ-FQEVSTJZSA-N 1 3 367.484 2.928 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001082544960 994888956 /nfs/dbraw/zinc/88/89/56/994888956.db2.gz ZDJHMEHXEMSXKG-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001082544960 994888974 /nfs/dbraw/zinc/88/89/74/994888974.db2.gz ZDJHMEHXEMSXKG-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001086694108 995125619 /nfs/dbraw/zinc/12/56/19/995125619.db2.gz CBZKWGZDWNEGHX-PWRODBHTSA-N 1 3 357.542 2.976 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001086694374 995127882 /nfs/dbraw/zinc/12/78/82/995127882.db2.gz OXOUFIQDVJQJNX-XUVXKRRUSA-N 1 3 365.562 2.550 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086695254 995154233 /nfs/dbraw/zinc/15/42/33/995154233.db2.gz IRZBRWRBOFGAIO-SXLOBPIMSA-N 1 3 358.530 2.637 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001082741094 995395255 /nfs/dbraw/zinc/39/52/55/995395255.db2.gz PGUMKKIANHYTFU-GPMSIDNRSA-N 1 3 363.933 2.803 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cc1F ZINC001082744014 995403261 /nfs/dbraw/zinc/40/32/61/995403261.db2.gz NWVVQUFDDPMLJD-VQIMIIECSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc2c(c1)CCC2 ZINC001082766596 995450314 /nfs/dbraw/zinc/45/03/14/995450314.db2.gz JGZFDEUVHHYJKA-QEEYODRMSA-N 1 3 352.482 2.639 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C)sn1 ZINC001082835784 995616748 /nfs/dbraw/zinc/61/67/48/995616748.db2.gz WMENLAWWEMBUCP-RDTXWAMCSA-N 1 3 364.559 2.508 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001082852192 995649119 /nfs/dbraw/zinc/64/91/19/995649119.db2.gz YVRDJPUSOMFVPO-KBAYOESNSA-N 1 3 364.559 2.734 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001082852192 995649123 /nfs/dbraw/zinc/64/91/23/995649123.db2.gz YVRDJPUSOMFVPO-KBAYOESNSA-N 1 3 364.559 2.734 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000280280228 995815032 /nfs/dbraw/zinc/81/50/32/995815032.db2.gz YLUUZZGRKRYZRL-HNAYVOBHSA-N 1 3 360.498 2.782 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001082942500 995878789 /nfs/dbraw/zinc/87/87/89/995878789.db2.gz GLOREJJVSNAGDQ-DYESRHJHSA-N 1 3 366.509 2.702 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21)[NH+]1CCCC1 ZINC001084572031 996685466 /nfs/dbraw/zinc/68/54/66/996685466.db2.gz RFTBAXRGWBVXMT-SJLPKXTDSA-N 1 3 361.555 2.698 20 0 FFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccc5c(c4)CCC5)C[C@H]32)CC1 ZINC001084629087 996743650 /nfs/dbraw/zinc/74/36/50/996743650.db2.gz DPAVRQFYEVFBQS-FGZHOGPDSA-N 1 3 367.537 2.550 20 0 FFADHO CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2)C3)c1 ZINC001096546876 1016079090 /nfs/dbraw/zinc/07/90/90/1016079090.db2.gz BRYOTJNIOZNHLI-GIVPXCGWSA-N 1 3 371.525 2.791 20 0 FFADHO CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2)C3)c1 ZINC001096546876 1016079095 /nfs/dbraw/zinc/07/90/95/1016079095.db2.gz BRYOTJNIOZNHLI-GIVPXCGWSA-N 1 3 371.525 2.791 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090874770 997528947 /nfs/dbraw/zinc/52/89/47/997528947.db2.gz PZDRVXZNMKQUSO-ZCNNSNEGSA-N 1 3 361.530 2.575 20 0 FFADHO CN(CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CCC([NH3+])CC1 ZINC000844220729 997711769 /nfs/dbraw/zinc/71/17/69/997711769.db2.gz LHXQRZIRBQAFQC-UHFFFAOYSA-N 1 3 369.391 2.722 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000844223277 997714040 /nfs/dbraw/zinc/71/40/40/997714040.db2.gz WBUJBTOYYRVNGX-KRWDZBQOSA-N 1 3 356.514 2.689 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C3(C4CCC4)CC3)cc2)CC1 ZINC000844419650 997876750 /nfs/dbraw/zinc/87/67/50/997876750.db2.gz OVIVTSICDUINBT-UHFFFAOYSA-N 1 3 356.514 2.689 20 0 FFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001084940380 998217395 /nfs/dbraw/zinc/21/73/95/998217395.db2.gz ZBAMXXIUSNIIKY-KSZLIROESA-N 1 3 353.526 2.922 20 0 FFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001084940380 998217404 /nfs/dbraw/zinc/21/74/04/998217404.db2.gz ZBAMXXIUSNIIKY-KSZLIROESA-N 1 3 353.526 2.922 20 0 FFADHO COc1cc2c(cc1OC)C(C)(C)N(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903784978 1016197264 /nfs/dbraw/zinc/19/72/64/1016197264.db2.gz SWSJCFFDIHLPMF-IIBYNOLFSA-N 1 3 360.498 2.566 20 0 FFADHO COc1cc2c(cc1OC)C(C)(C)N(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903784976 1016197472 /nfs/dbraw/zinc/19/74/72/1016197472.db2.gz SWSJCFFDIHLPMF-IERDGZPVSA-N 1 3 360.498 2.566 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCc3cccs3)[C@H]2C1)N(C)C ZINC001084964926 998400891 /nfs/dbraw/zinc/40/08/91/998400891.db2.gz YGOPMZNIWXKKIM-NEWSRXKRSA-N 1 3 363.571 2.800 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCc3cccs3)[C@H]2C1)N(C)C ZINC001084964926 998400895 /nfs/dbraw/zinc/40/08/95/998400895.db2.gz YGOPMZNIWXKKIM-NEWSRXKRSA-N 1 3 363.571 2.800 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC[N@@H+]1C ZINC001085016821 998682621 /nfs/dbraw/zinc/68/26/21/998682621.db2.gz PJSOEKALGDOCQZ-NQYYFHDYSA-N 1 3 361.555 2.901 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC[N@H+]1C ZINC001085016821 998682626 /nfs/dbraw/zinc/68/26/26/998682626.db2.gz PJSOEKALGDOCQZ-NQYYFHDYSA-N 1 3 361.555 2.901 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017572 998684308 /nfs/dbraw/zinc/68/43/08/998684308.db2.gz NCMKEDCZMXALRF-JTJHWIPRSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017572 998684311 /nfs/dbraw/zinc/68/43/11/998684311.db2.gz NCMKEDCZMXALRF-JTJHWIPRSA-N 1 3 370.541 2.543 20 0 FFADHO Cc1cccnc1CN1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162665 1016254237 /nfs/dbraw/zinc/25/42/37/1016254237.db2.gz ZPPZNDLFWVXELP-IEBWSBKVSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cccnc1CN1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162665 1016254247 /nfs/dbraw/zinc/25/42/47/1016254247.db2.gz ZPPZNDLFWVXELP-IEBWSBKVSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN(Cc2ccccc2)C[C@@H]2CCCO2)cnn1C ZINC000903886325 1016287530 /nfs/dbraw/zinc/28/75/30/1016287530.db2.gz PISAIWLOHUDWJV-CTNGQTDRSA-N 1 3 356.514 2.527 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)[NH+]1CCCCCC1 ZINC001085352800 999409559 /nfs/dbraw/zinc/40/95/59/999409559.db2.gz XPEJWTULOWYHTN-DFQSSKMNSA-N 1 3 358.530 2.863 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001085405871 999464846 /nfs/dbraw/zinc/46/48/46/999464846.db2.gz BUVQRUPNBKZHBT-IPMKNSEASA-N 1 3 352.482 2.965 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC001086090774 999761542 /nfs/dbraw/zinc/76/15/42/999761542.db2.gz QJPCXGZHYIFRFA-UTJXIGIESA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC001086090774 999761543 /nfs/dbraw/zinc/76/15/43/999761543.db2.gz QJPCXGZHYIFRFA-UTJXIGIESA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001086091005 999761784 /nfs/dbraw/zinc/76/17/84/999761784.db2.gz CMTYCUJPETWLEN-VFPIZLKKSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001086091005 999761785 /nfs/dbraw/zinc/76/17/85/999761785.db2.gz CMTYCUJPETWLEN-VFPIZLKKSA-N 1 3 365.468 2.850 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000743077281 999797604 /nfs/dbraw/zinc/79/76/04/999797604.db2.gz BVVNNTLYFRSBEY-SFHVURJKSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000743077281 999797605 /nfs/dbraw/zinc/79/76/05/999797605.db2.gz BVVNNTLYFRSBEY-SFHVURJKSA-N 1 3 373.545 2.634 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C1)C2 ZINC001169134656 1000024101 /nfs/dbraw/zinc/02/41/01/1000024101.db2.gz WHPNCRBVCWPZHS-AHJNKEMKSA-N 1 3 371.525 2.847 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C1)C2 ZINC001169134656 1000024102 /nfs/dbraw/zinc/02/41/02/1000024102.db2.gz WHPNCRBVCWPZHS-AHJNKEMKSA-N 1 3 371.525 2.847 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)NC(=O)C[C@@H]3c1ccccc1)C2 ZINC001169135058 1000024436 /nfs/dbraw/zinc/02/44/36/1000024436.db2.gz XSWMWIVFAIXNAJ-FUMNGEBKSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)NC(=O)C[C@@H]3c1ccccc1)C2 ZINC001169135058 1000024437 /nfs/dbraw/zinc/02/44/37/1000024437.db2.gz XSWMWIVFAIXNAJ-FUMNGEBKSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C1)C2 ZINC001169141321 1000026603 /nfs/dbraw/zinc/02/66/03/1000026603.db2.gz XAHZMIUIGFKQKA-KWLWEVDOSA-N 1 3 357.498 2.709 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C1)C2 ZINC001169141321 1000026606 /nfs/dbraw/zinc/02/66/06/1000026606.db2.gz XAHZMIUIGFKQKA-KWLWEVDOSA-N 1 3 357.498 2.709 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C1)C2 ZINC001169141323 1000026955 /nfs/dbraw/zinc/02/69/55/1000026955.db2.gz XAHZMIUIGFKQKA-TWHPPBISSA-N 1 3 357.498 2.709 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C1)C2 ZINC001169141323 1000026956 /nfs/dbraw/zinc/02/69/56/1000026956.db2.gz XAHZMIUIGFKQKA-TWHPPBISSA-N 1 3 357.498 2.709 20 0 FFADHO CC[NH+]1CCC(N2CCC3(C[C@@H](N(C)Cc4ccccn4)CO3)CC2)CC1 ZINC001169251718 1000035097 /nfs/dbraw/zinc/03/50/97/1000035097.db2.gz YIESZWAEZHWKFC-OAQYLSRUSA-N 1 3 372.557 2.621 20 0 FFADHO NCc1ccc2c(n1)N(c1ccc([C@]34CC[NH2+][C@H]3COCC4)cc1)CCC2 ZINC001169591879 1000060303 /nfs/dbraw/zinc/06/03/03/1000060303.db2.gz BBZYGFPPDWPCCA-RBBKRZOGSA-N 1 3 364.493 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)CC[N@@H+]1C ZINC001109304925 1000265676 /nfs/dbraw/zinc/26/56/76/1000265676.db2.gz AQOUCTXFMNDFOK-LPOYBJAFSA-N 1 3 371.525 2.517 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)CC[N@H+]1C ZINC001109304925 1000265678 /nfs/dbraw/zinc/26/56/78/1000265678.db2.gz AQOUCTXFMNDFOK-LPOYBJAFSA-N 1 3 371.525 2.517 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001109362909 1000329435 /nfs/dbraw/zinc/32/94/35/1000329435.db2.gz JCEKHHRDNOJMNP-YRXWBPOGSA-N 1 3 351.510 2.888 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001109362909 1000329439 /nfs/dbraw/zinc/32/94/39/1000329439.db2.gz JCEKHHRDNOJMNP-YRXWBPOGSA-N 1 3 351.510 2.888 20 0 FFADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109472768 1000530451 /nfs/dbraw/zinc/53/04/51/1000530451.db2.gz DOMFOJYHNHYDBI-YSHGAJCASA-N 1 3 365.562 2.522 20 0 FFADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472768 1000530455 /nfs/dbraw/zinc/53/04/55/1000530455.db2.gz DOMFOJYHNHYDBI-YSHGAJCASA-N 1 3 365.562 2.522 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2ncccc2c1 ZINC001109653530 1000786848 /nfs/dbraw/zinc/78/68/48/1000786848.db2.gz WFJCJQIMELAMLN-GIVPXCGWSA-N 1 3 366.509 2.798 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091986042 1002181523 /nfs/dbraw/zinc/18/15/23/1002181523.db2.gz RMJWCSRISSWKMP-XPNTWCBSSA-N 1 3 371.569 2.986 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091986042 1002181528 /nfs/dbraw/zinc/18/15/28/1002181528.db2.gz RMJWCSRISSWKMP-XPNTWCBSSA-N 1 3 371.569 2.986 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC001092050020 1002319747 /nfs/dbraw/zinc/31/97/47/1002319747.db2.gz NFPLUGBQGNKNMX-AGHHOFFYSA-N 1 3 364.493 2.810 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+]([C@H]1CCCc3ccccc31)C2 ZINC001092050020 1002319756 /nfs/dbraw/zinc/31/97/56/1002319756.db2.gz NFPLUGBQGNKNMX-AGHHOFFYSA-N 1 3 364.493 2.810 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157822 1002443741 /nfs/dbraw/zinc/44/37/41/1002443741.db2.gz QRGKLYPIEKPIGC-GGPKGHCWSA-N 1 3 353.526 2.635 20 0 FFADHO C[C@@H](c1ccccc1F)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203140 1002498408 /nfs/dbraw/zinc/49/84/08/1002498408.db2.gz FDBWWRKYVADGIN-FVJLSDCUSA-N 1 3 371.500 2.763 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc(C(F)F)cc3)C2)C1=O ZINC001276262296 1016647775 /nfs/dbraw/zinc/64/77/75/1016647775.db2.gz DAVPAEQNHAJYBI-IBGZPJMESA-N 1 3 351.441 2.610 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1=O ZINC001276262296 1016647786 /nfs/dbraw/zinc/64/77/86/1016647786.db2.gz DAVPAEQNHAJYBI-IBGZPJMESA-N 1 3 351.441 2.610 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000775687969 1003682034 /nfs/dbraw/zinc/68/20/34/1003682034.db2.gz FCUMZEKROQVPDS-JXFKEZNVSA-N 1 3 353.466 2.831 20 0 FFADHO Cc1cc(OCc2ccccc2)c(C(=O)N(CCCC[NH3+])C(=N)N)cc1C ZINC001197261567 1004145976 /nfs/dbraw/zinc/14/59/76/1004145976.db2.gz RWYLAMJCZQQHII-UHFFFAOYSA-N 1 3 368.481 2.957 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000807549990 1004623533 /nfs/dbraw/zinc/62/35/33/1004623533.db2.gz NBBJFCOMQQOHOL-FQEVSTJZSA-N 1 3 373.545 2.824 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000807549990 1004623542 /nfs/dbraw/zinc/62/35/42/1004623542.db2.gz NBBJFCOMQQOHOL-FQEVSTJZSA-N 1 3 373.545 2.824 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC2CC2)c2ccccc2OC)CC[N@@H+]1C ZINC001198742823 1004719652 /nfs/dbraw/zinc/71/96/52/1004719652.db2.gz STKYCHBEPWMARL-IPMKNSEASA-N 1 3 359.514 2.582 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC2CC2)c2ccccc2OC)CC[N@H+]1C ZINC001198742823 1004719659 /nfs/dbraw/zinc/71/96/59/1004719659.db2.gz STKYCHBEPWMARL-IPMKNSEASA-N 1 3 359.514 2.582 20 0 FFADHO C[C@@H](NCc1cccnc1)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001050263608 1016945807 /nfs/dbraw/zinc/94/58/07/1016945807.db2.gz LSOHDESLSAFVRV-CBGDNZLLSA-N 1 3 366.509 2.889 20 0 FFADHO C[C@@H](NCc1cccnc1)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001050263608 1016945819 /nfs/dbraw/zinc/94/58/19/1016945819.db2.gz LSOHDESLSAFVRV-CBGDNZLLSA-N 1 3 366.509 2.889 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000850518153 1005819971 /nfs/dbraw/zinc/81/99/71/1005819971.db2.gz MCYZHJQBAQCOQI-OKZBNKHCSA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000850518153 1005819972 /nfs/dbraw/zinc/81/99/72/1005819972.db2.gz MCYZHJQBAQCOQI-OKZBNKHCSA-N 1 3 369.550 2.722 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001086712038 1005958390 /nfs/dbraw/zinc/95/83/90/1005958390.db2.gz MLGURXNTNSPCFK-USXIJHARSA-N 1 3 357.489 2.781 20 0 FFADHO CC(=O)Nc1ccnc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001170714910 1006081677 /nfs/dbraw/zinc/08/16/77/1006081677.db2.gz MNIYAAMALPDPCE-KESTWPANSA-N 1 3 371.529 2.791 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000678285217 1017028800 /nfs/dbraw/zinc/02/88/00/1017028800.db2.gz PSBBTIZCQMAJPK-HXUWFJFHSA-N 1 3 359.514 2.512 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2cccnc2C)CC3)CC[N@@H+]1C ZINC001050524124 1017040735 /nfs/dbraw/zinc/04/07/35/1017040735.db2.gz UCQRWWVTCGOQKR-VQTJNVASSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2cccnc2C)CC3)CC[N@H+]1C ZINC001050524124 1017040747 /nfs/dbraw/zinc/04/07/47/1017040747.db2.gz UCQRWWVTCGOQKR-VQTJNVASSA-N 1 3 370.541 2.545 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]21 ZINC001188107255 1006416135 /nfs/dbraw/zinc/41/61/35/1006416135.db2.gz MCFYWYZBCLPIDY-XUVXKRRUSA-N 1 3 361.505 2.708 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]21 ZINC001188107255 1006416142 /nfs/dbraw/zinc/41/61/42/1006416142.db2.gz MCFYWYZBCLPIDY-XUVXKRRUSA-N 1 3 361.505 2.708 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2CN(CCOCCC(C)C)C[C@H]21)[NH+](CC)CC ZINC001189109842 1006886872 /nfs/dbraw/zinc/88/68/72/1006886872.db2.gz GQXOICRTJQMECD-SLFFLAALSA-N 1 3 367.578 2.702 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1 ZINC000885866156 1007809264 /nfs/dbraw/zinc/80/92/64/1007809264.db2.gz SWWCKLREJZTIGC-OAQYLSRUSA-N 1 3 373.541 2.902 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1 ZINC000885866156 1007809276 /nfs/dbraw/zinc/80/92/76/1007809276.db2.gz SWWCKLREJZTIGC-OAQYLSRUSA-N 1 3 373.541 2.902 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCC[NH2+]1 ZINC000817949363 1007822826 /nfs/dbraw/zinc/82/28/26/1007822826.db2.gz JVKVMAOLXZFDQE-IAGOWNOFSA-N 1 3 357.498 2.963 20 0 FFADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000885967647 1007856760 /nfs/dbraw/zinc/85/67/60/1007856760.db2.gz VFXJTDYLFQHUOB-RTWAWAEBSA-N 1 3 358.526 2.869 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490979 1008369029 /nfs/dbraw/zinc/36/90/29/1008369029.db2.gz UPQBPFNMRFOCOZ-XSLAGTTESA-N 1 3 369.550 2.626 20 0 FFADHO COC(=O)c1cncc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000886636514 1008786748 /nfs/dbraw/zinc/78/67/48/1008786748.db2.gz PIAXJKLLJJTJKY-INIZCTEOSA-N 1 3 368.481 2.826 20 0 FFADHO COc1ncccc1C[NH+]1CCC2(C[C@H](N(C)Cc3ccco3)CO2)CC1 ZINC001206569330 1032348064 /nfs/dbraw/zinc/34/80/64/1032348064.db2.gz VHDGEYUEJVCMLN-SFHVURJKSA-N 1 3 371.481 2.939 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccnc(CN)c2)n1 ZINC000822920462 1008817410 /nfs/dbraw/zinc/81/74/10/1008817410.db2.gz WQGZZCIMLYWZGE-UHFFFAOYSA-N 1 3 367.453 2.978 20 0 FFADHO CC(C)N(C(=O)COC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000823561914 1009129491 /nfs/dbraw/zinc/12/94/91/1009129491.db2.gz PHHVIABTVYRZGQ-FQEVSTJZSA-N 1 3 373.541 2.609 20 0 FFADHO CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000861342656 1009353677 /nfs/dbraw/zinc/35/36/77/1009353677.db2.gz WUKWXDPOCBKINC-CTNGQTDRSA-N 1 3 360.498 2.939 20 0 FFADHO Cc1ncc(CN2CC(c3[nH+]cn4cc(Br)ccc34)C2)n1C ZINC001206795244 1032431799 /nfs/dbraw/zinc/43/17/99/1032431799.db2.gz WLHDFPFTPVHLOJ-UHFFFAOYSA-N 1 3 360.259 2.738 20 0 FFADHO Cc1ccc(CN2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)c(Cl)c1 ZINC001093195148 1010113355 /nfs/dbraw/zinc/11/33/55/1010113355.db2.gz LMPVNYABONVLQV-KBAYOESNSA-N 1 3 363.933 2.784 20 0 FFADHO Cc1ccc(CN2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)c(Cl)c1 ZINC001093195148 1010113363 /nfs/dbraw/zinc/11/33/63/1010113363.db2.gz LMPVNYABONVLQV-KBAYOESNSA-N 1 3 363.933 2.784 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1C ZINC001093225741 1010172117 /nfs/dbraw/zinc/17/21/17/1010172117.db2.gz QRIOIWQRCYQXFC-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1C ZINC001093225741 1010172124 /nfs/dbraw/zinc/17/21/24/1010172124.db2.gz QRIOIWQRCYQXFC-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142660 1010223326 /nfs/dbraw/zinc/22/33/26/1010223326.db2.gz LDTVDNBXEUOQFY-AABGKKOBSA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)[C@H](C)C1)N(C)C ZINC001093858671 1010634050 /nfs/dbraw/zinc/63/40/50/1010634050.db2.gz HFBPPJNKUFUHDF-UMVBOHGHSA-N 1 3 357.951 2.926 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001094042082 1010803764 /nfs/dbraw/zinc/80/37/64/1010803764.db2.gz IXMWTJSVSDJDNO-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001094042782 1010804577 /nfs/dbraw/zinc/80/45/77/1010804577.db2.gz ZLTFEJZAMOSAFJ-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001094074845 1010834708 /nfs/dbraw/zinc/83/47/08/1010834708.db2.gz PERRRMVBNSIBGM-CRAIPNDOSA-N 1 3 369.513 2.663 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccns2)[C@H](C)C1 ZINC001094088978 1010849030 /nfs/dbraw/zinc/84/90/30/1010849030.db2.gz ZIAHWQGDDKEMAL-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001094131165 1010877530 /nfs/dbraw/zinc/87/75/30/1010877530.db2.gz RHHXFUCFFDHFDC-UYAOXDASSA-N 1 3 361.574 2.983 20 0 FFADHO C[C@@H]1CCc2ccc(F)cc2[C@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000866262956 1010965920 /nfs/dbraw/zinc/96/59/20/1010965920.db2.gz JJYBHNACAPMQCD-VFNWGFHPSA-N 1 3 361.505 2.981 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)cc2)CC1 ZINC000868096722 1011165974 /nfs/dbraw/zinc/16/59/74/1011165974.db2.gz UWJDPJWPYIDAEH-SFHVURJKSA-N 1 3 373.545 2.728 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172101521 1011637986 /nfs/dbraw/zinc/63/79/86/1011637986.db2.gz ZEXOUONZKILFBW-GGXPGOJBSA-N 1 3 355.498 2.940 20 0 FFADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172160279 1011673723 /nfs/dbraw/zinc/67/37/23/1011673723.db2.gz SHTZCWLGTXXOKF-ZWKOTPCHSA-N 1 3 361.917 2.829 20 0 FFADHO O=C1CC[C@H]2C[C@@H](N3CCC([N@@H+]4CCc5ccccc5C4)CC3)CCN12 ZINC001172178322 1011684174 /nfs/dbraw/zinc/68/41/74/1011684174.db2.gz DUYNNGGFQLIDLX-SFTDATJTSA-N 1 3 353.510 2.663 20 0 FFADHO O=C1CC[C@H]2C[C@@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)CCN12 ZINC001172178322 1011684178 /nfs/dbraw/zinc/68/41/78/1011684178.db2.gz DUYNNGGFQLIDLX-SFTDATJTSA-N 1 3 353.510 2.663 20 0 FFADHO O=C1CC[C@@H]2C[C@@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)CCN12 ZINC001172179540 1011686829 /nfs/dbraw/zinc/68/68/29/1011686829.db2.gz MROZWHSFYFTBMV-VQTJNVASSA-N 1 3 353.510 2.738 20 0 FFADHO COC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001172732822 1011968622 /nfs/dbraw/zinc/96/86/22/1011968622.db2.gz YKINHAKAJTWDQD-YSIASYRMSA-N 1 3 357.498 2.717 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001221969036 1032596453 /nfs/dbraw/zinc/59/64/53/1032596453.db2.gz NGYRADDVXSHXRV-TZIWHRDSSA-N 1 3 368.525 2.933 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001221969036 1032596463 /nfs/dbraw/zinc/59/64/63/1032596463.db2.gz NGYRADDVXSHXRV-TZIWHRDSSA-N 1 3 368.525 2.933 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3cccc(F)c3Cl)CC2)C1=O ZINC001275220682 1012094370 /nfs/dbraw/zinc/09/43/70/1012094370.db2.gz RRJUYIAWZNCUBR-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3)C2)C1=O ZINC001275286649 1012207894 /nfs/dbraw/zinc/20/78/94/1012207894.db2.gz ANGQIQRMPNEFGP-SFHVURJKSA-N 1 3 370.324 2.979 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@@H](NC(C)(C)C[NH3+])C[C@H]1C(=O)OC(C)(C)C ZINC001173370633 1012511754 /nfs/dbraw/zinc/51/17/54/1012511754.db2.gz ZTJGNYXNBZHWCV-RBSFLKMASA-N 1 3 370.534 2.782 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]C3Cc4cc(F)c(F)cc4C3)c2)CC1 ZINC001173472104 1012602602 /nfs/dbraw/zinc/60/26/02/1012602602.db2.gz VWUAQDZSKHVVHN-UHFFFAOYSA-N 1 3 371.475 2.969 20 0 FFADHO COc1ccccc1[C@@H](NC1CC[NH+](CCN(C)C)CC1)c1ccccn1 ZINC000924631363 1017385766 /nfs/dbraw/zinc/38/57/66/1017385766.db2.gz HIGGPCYJTZCFBI-JOCHJYFZSA-N 1 3 368.525 2.795 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C3CCCCC3)C2=O)[C@H](C)C1 ZINC000678600623 1017386312 /nfs/dbraw/zinc/38/63/12/1017386312.db2.gz NHHLFGRNQITWEI-HOJAQTOUSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001052393559 1017393300 /nfs/dbraw/zinc/39/33/00/1017393300.db2.gz OMUNLHGDRHOTLT-YZGWKJHDSA-N 1 3 358.530 2.509 20 0 FFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001052393559 1017393308 /nfs/dbraw/zinc/39/33/08/1017393308.db2.gz OMUNLHGDRHOTLT-YZGWKJHDSA-N 1 3 358.530 2.509 20 0 FFADHO C[C@H]1COC[C@H](C)C1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000924705196 1017435388 /nfs/dbraw/zinc/43/53/88/1017435388.db2.gz BJSALRSICXPVMR-PMACEKPBSA-N 1 3 359.558 2.845 20 0 FFADHO C[C@@H]1COC[C@@H](C)C1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000924705197 1017435924 /nfs/dbraw/zinc/43/59/24/1017435924.db2.gz BJSALRSICXPVMR-WOJBJXKFSA-N 1 3 359.558 2.845 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111449998 1017508032 /nfs/dbraw/zinc/50/80/32/1017508032.db2.gz RRYQIOPBDNOPEG-AQNXPRMDSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1nc2c(o1)CCC[C@H]2NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000924875881 1017526898 /nfs/dbraw/zinc/52/68/98/1017526898.db2.gz FJIIPSOERXCEIV-GOSISDBHSA-N 1 3 355.486 2.557 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000924992004 1017574023 /nfs/dbraw/zinc/57/40/23/1017574023.db2.gz KNXBQFQZAOEJFD-SNWXZZBVSA-N 1 3 370.585 2.798 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925325247 1017709928 /nfs/dbraw/zinc/70/99/28/1017709928.db2.gz GDYPTLWZEGWLIV-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925325247 1017709941 /nfs/dbraw/zinc/70/99/41/1017709941.db2.gz GDYPTLWZEGWLIV-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]([NH3+])[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000925484120 1017766320 /nfs/dbraw/zinc/76/63/20/1017766320.db2.gz CJSWORTYGGKQOU-XMSQKQJNSA-N 1 3 352.526 2.612 20 0 FFADHO Cc1cc(C)c2c(c1)[C@@H](NC[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCCO2 ZINC000925853729 1017874106 /nfs/dbraw/zinc/87/41/06/1017874106.db2.gz QPBKBAFIPSXZEO-WMZOPIPTSA-N 1 3 358.482 2.792 20 0 FFADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OC(F)(F)F ZINC000925856595 1017877181 /nfs/dbraw/zinc/87/71/81/1017877181.db2.gz SODFQQXJZFYCBB-QWHCGFSZSA-N 1 3 372.387 2.921 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680269534 1017887564 /nfs/dbraw/zinc/88/75/64/1017887564.db2.gz LNYUNFVKJTXVEU-BURNTYAHSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680269534 1017887586 /nfs/dbraw/zinc/88/75/86/1017887586.db2.gz LNYUNFVKJTXVEU-BURNTYAHSA-N 1 3 357.542 2.990 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc(Cl)n1 ZINC000827479565 1018194711 /nfs/dbraw/zinc/19/47/11/1018194711.db2.gz ZXEBUBYLJAPSBZ-QZTJIDSGSA-N 1 3 374.916 2.722 20 0 FFADHO Cc1ccc2[nH]c(CN3CCC(C(=O)NCC[NH+](C)C)CC3)cc2c1C ZINC000681164104 1018397259 /nfs/dbraw/zinc/39/72/59/1018397259.db2.gz LYKPLJZYBHCIKY-UHFFFAOYSA-N 1 3 356.514 2.675 20 0 FFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cncnc1)CC2 ZINC001137666392 1032804136 /nfs/dbraw/zinc/80/41/36/1032804136.db2.gz ZLCANERAPQWATI-KRWDZBQOSA-N 1 3 358.511 2.794 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)c(C)s1 ZINC001095965184 1019620052 /nfs/dbraw/zinc/62/00/52/1019620052.db2.gz MTWWPHMEMDTYTK-QYZOEREBSA-N 1 3 361.555 2.928 20 0 FFADHO Cc1cc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cc(C)c1F ZINC001276384237 1019954398 /nfs/dbraw/zinc/95/43/98/1019954398.db2.gz CIWVWCNFKQCRTF-UHFFFAOYSA-N 1 3 361.505 2.819 20 0 FFADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000902350594 1020120337 /nfs/dbraw/zinc/12/03/37/1020120337.db2.gz UJEGBUIOVOEQQW-YJBOKZPZSA-N 1 3 359.514 2.773 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)O1 ZINC001217809263 1032877052 /nfs/dbraw/zinc/87/70/52/1032877052.db2.gz RMWNITLLJGBUMC-GPQLQYNLSA-N 1 3 374.525 2.592 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c1 ZINC001096344939 1020167282 /nfs/dbraw/zinc/16/72/82/1020167282.db2.gz HABNYIXIGFSPGN-WOZUAGRISA-N 1 3 355.526 2.812 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1 ZINC001096344939 1020167290 /nfs/dbraw/zinc/16/72/90/1020167290.db2.gz HABNYIXIGFSPGN-WOZUAGRISA-N 1 3 355.526 2.812 20 0 FFADHO C[C@@H](c1ccccc1F)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829284 1020536159 /nfs/dbraw/zinc/53/61/59/1020536159.db2.gz KYBUMTWPGGHYAN-OYNZLANYSA-N 1 3 359.489 2.617 20 0 FFADHO C[C@@H](c1ccccc1F)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829284 1020536168 /nfs/dbraw/zinc/53/61/68/1020536168.db2.gz KYBUMTWPGGHYAN-OYNZLANYSA-N 1 3 359.489 2.617 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903119963 1020687576 /nfs/dbraw/zinc/68/75/76/1020687576.db2.gz LPHOEHAVWUUUCB-IXDOHACOSA-N 1 3 369.550 2.911 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCCCO2)c1 ZINC001098459632 1020925969 /nfs/dbraw/zinc/92/59/69/1020925969.db2.gz ODRULDJGIFRTEN-MHTWAQMVSA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCOC1 ZINC001098461354 1020929103 /nfs/dbraw/zinc/92/91/03/1020929103.db2.gz XKADKGJQELOMEA-QAKNJHSXSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCOC1 ZINC001098461354 1020929109 /nfs/dbraw/zinc/92/91/09/1020929109.db2.gz XKADKGJQELOMEA-QAKNJHSXSA-N 1 3 371.525 2.510 20 0 FFADHO CC[NH+]1CCC(N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000145538570 1021631118 /nfs/dbraw/zinc/63/11/18/1021631118.db2.gz UZCRZIDKCULFRJ-UHFFFAOYSA-N 1 3 374.598 2.942 20 0 FFADHO C[NH2+][C@H](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC001117966229 1021996999 /nfs/dbraw/zinc/99/69/99/1021996999.db2.gz DRSSVAMFXGJJRY-CVEARBPZSA-N 1 3 352.548 2.818 20 0 FFADHO Cc1nc(N2CCCCC2)sc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001118243522 1022140134 /nfs/dbraw/zinc/14/01/34/1022140134.db2.gz UVTPZMBMDCOPIG-AEFFLSMTSA-N 1 3 364.559 2.770 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001099307724 1022268822 /nfs/dbraw/zinc/26/88/22/1022268822.db2.gz LIYZUTLYPXCORY-OAGGEKHMSA-N 1 3 363.468 2.886 20 0 FFADHO COC(=O)c1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC001118654577 1022337901 /nfs/dbraw/zinc/33/79/01/1022337901.db2.gz OFYGLMDLIKRGOQ-UHFFFAOYSA-N 1 3 353.466 2.870 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099345843 1022339181 /nfs/dbraw/zinc/33/91/81/1022339181.db2.gz WQRHZYIZFZEMRU-OAGGEKHMSA-N 1 3 361.452 2.640 20 0 FFADHO Cc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)cc1C ZINC001099506913 1022648046 /nfs/dbraw/zinc/64/80/46/1022648046.db2.gz XOVYBRRILJYXMJ-UGKGYDQZSA-N 1 3 366.509 2.988 20 0 FFADHO Cc1cncc(CN2CCC[C@@]3(CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)c1 ZINC001040211746 1022806088 /nfs/dbraw/zinc/80/60/88/1022806088.db2.gz ZFGCGDQIWUFLQV-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2CCC[C@@]3(CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)c1 ZINC001040211746 1022806102 /nfs/dbraw/zinc/80/61/02/1022806102.db2.gz ZFGCGDQIWUFLQV-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC001120622395 1023391664 /nfs/dbraw/zinc/39/16/64/1023391664.db2.gz KXZDNQBZPGOUTL-JQFCIGGWSA-N 1 3 352.910 2.759 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]21 ZINC001222817890 1033166841 /nfs/dbraw/zinc/16/68/41/1033166841.db2.gz RCWIIUAYJHMOBR-AABGKKOBSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]21 ZINC001222817890 1033166853 /nfs/dbraw/zinc/16/68/53/1033166853.db2.gz RCWIIUAYJHMOBR-AABGKKOBSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1 ZINC001218532287 1033205805 /nfs/dbraw/zinc/20/58/05/1033205805.db2.gz DLLGAKLXJVKWSS-LSDHHAIUSA-N 1 3 372.538 2.765 20 0 FFADHO [NH3+]C[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CCCCCC1 ZINC001122142529 1024379427 /nfs/dbraw/zinc/37/94/27/1024379427.db2.gz SQZOAUJYGGLRCN-NRFANRHFSA-N 1 3 372.557 2.955 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@@]2(C)C1)N(C)C ZINC001101365723 1024554837 /nfs/dbraw/zinc/55/48/37/1024554837.db2.gz GNWNLMXIAYSADI-VYDXJSESSA-N 1 3 363.468 2.840 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@]2(C)C1)N(C)C ZINC001101365723 1024554843 /nfs/dbraw/zinc/55/48/43/1024554843.db2.gz GNWNLMXIAYSADI-VYDXJSESSA-N 1 3 363.468 2.840 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@]2(C)C1 ZINC001101418557 1024691131 /nfs/dbraw/zinc/69/11/31/1024691131.db2.gz XNHLIENNEGCHMO-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@]2(C)C1 ZINC001101418557 1024691134 /nfs/dbraw/zinc/69/11/34/1024691134.db2.gz XNHLIENNEGCHMO-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@]2(C)C1 ZINC001101438616 1024743605 /nfs/dbraw/zinc/74/36/05/1024743605.db2.gz JVDLPHDKOUEEMN-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@]2(C)C1 ZINC001101438616 1024743618 /nfs/dbraw/zinc/74/36/18/1024743618.db2.gz JVDLPHDKOUEEMN-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CC(C)n1cncc1CNCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717929502 1025173590 /nfs/dbraw/zinc/17/35/90/1025173590.db2.gz ZAKFIRABNSGIKU-UHFFFAOYSA-N 1 3 356.514 2.971 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1C ZINC001102021627 1025304301 /nfs/dbraw/zinc/30/43/01/1025304301.db2.gz VBOOZQJSIVFMQC-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1C ZINC001102021627 1025304309 /nfs/dbraw/zinc/30/43/09/1025304309.db2.gz VBOOZQJSIVFMQC-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046231 1025350941 /nfs/dbraw/zinc/35/09/41/1025350941.db2.gz UAMMRUCHCCNAKG-BZUAXINKSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046231 1025350953 /nfs/dbraw/zinc/35/09/53/1025350953.db2.gz UAMMRUCHCCNAKG-BZUAXINKSA-N 1 3 357.489 2.590 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102047426 1025353450 /nfs/dbraw/zinc/35/34/50/1025353450.db2.gz GSWGEIRPGHMBIN-UIFIKXQLSA-N 1 3 357.542 2.562 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102047426 1025353465 /nfs/dbraw/zinc/35/34/65/1025353465.db2.gz GSWGEIRPGHMBIN-UIFIKXQLSA-N 1 3 357.542 2.562 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047262 1025353534 /nfs/dbraw/zinc/35/35/34/1025353534.db2.gz AHMLJXMFOPKGFS-FQELHTAISA-N 1 3 369.509 2.957 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047262 1025353545 /nfs/dbraw/zinc/35/35/45/1025353545.db2.gz AHMLJXMFOPKGFS-FQELHTAISA-N 1 3 369.509 2.957 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047706 1025354767 /nfs/dbraw/zinc/35/47/67/1025354767.db2.gz QSLLTPUUBMILLW-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047706 1025354782 /nfs/dbraw/zinc/35/47/82/1025354782.db2.gz QSLLTPUUBMILLW-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070737 1025390372 /nfs/dbraw/zinc/39/03/72/1025390372.db2.gz QJEWYIZQHDLKRW-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070737 1025390386 /nfs/dbraw/zinc/39/03/86/1025390386.db2.gz QJEWYIZQHDLKRW-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO COc1cccc(C[C@@H](N)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000637831510 1025591357 /nfs/dbraw/zinc/59/13/57/1025591357.db2.gz CYKDMANDZXUZPT-UXHICEINSA-N 1 3 355.482 2.505 20 0 FFADHO Cc1cc(CN)oc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000638063350 1025687456 /nfs/dbraw/zinc/68/74/56/1025687456.db2.gz LXDPNZICNXAFOT-HOTGVXAUSA-N 1 3 371.481 2.586 20 0 FFADHO C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287234 1025696285 /nfs/dbraw/zinc/69/62/85/1025696285.db2.gz SYZALXUKVQBARD-NVXWUHKLSA-N 1 3 363.933 2.866 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000638268803 1025758242 /nfs/dbraw/zinc/75/82/42/1025758242.db2.gz SBXMVZCJBANNSN-ICSRJNTNSA-N 1 3 358.530 2.730 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366943 1025816152 /nfs/dbraw/zinc/81/61/52/1025816152.db2.gz VWBAADIFLLNKGT-MEJPMMASSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366943 1025816158 /nfs/dbraw/zinc/81/61/58/1025816158.db2.gz VWBAADIFLLNKGT-MEJPMMASSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C ZINC001102366430 1025817608 /nfs/dbraw/zinc/81/76/08/1025817608.db2.gz FGMBOQWFLZCKKY-BZUAXINKSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1C ZINC001102366430 1025817627 /nfs/dbraw/zinc/81/76/27/1025817627.db2.gz FGMBOQWFLZCKKY-BZUAXINKSA-N 1 3 363.468 2.887 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c(C)c1 ZINC001102368463 1025827943 /nfs/dbraw/zinc/82/79/43/1025827943.db2.gz VEWZDPIQMZBGOB-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)c(C)c1 ZINC001102368463 1025827945 /nfs/dbraw/zinc/82/79/45/1025827945.db2.gz VEWZDPIQMZBGOB-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2C)C1 ZINC001102369968 1025828295 /nfs/dbraw/zinc/82/82/95/1025828295.db2.gz MLINWUTUNAFXMR-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2C)C1 ZINC001102369968 1025828314 /nfs/dbraw/zinc/82/83/14/1025828314.db2.gz MLINWUTUNAFXMR-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO OC1CCN(CCC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638411666 1025830799 /nfs/dbraw/zinc/83/07/99/1025830799.db2.gz KPMPWXZYELPAQV-DENIHFKCSA-N 1 3 357.542 2.791 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C2)s1 ZINC001102375425 1025845328 /nfs/dbraw/zinc/84/53/28/1025845328.db2.gz IWQDRGRMZZECDA-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C2)s1 ZINC001102375425 1025845351 /nfs/dbraw/zinc/84/53/51/1025845351.db2.gz IWQDRGRMZZECDA-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428573 1025958663 /nfs/dbraw/zinc/95/86/63/1025958663.db2.gz JXLQPFGQAWHVJL-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428573 1025958671 /nfs/dbraw/zinc/95/86/71/1025958671.db2.gz JXLQPFGQAWHVJL-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C)C(C)C ZINC001102472438 1026039098 /nfs/dbraw/zinc/03/90/98/1026039098.db2.gz COKPVPRMXOCLEE-GGPKGHCWSA-N 1 3 360.546 2.632 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001102475617 1026056616 /nfs/dbraw/zinc/05/66/16/1026056616.db2.gz WOYNLVVTJSCKAE-ZACQAIPSSA-N 1 3 359.505 2.838 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001102475617 1026056629 /nfs/dbraw/zinc/05/66/29/1026056629.db2.gz WOYNLVVTJSCKAE-ZACQAIPSSA-N 1 3 359.505 2.838 20 0 FFADHO C[N@H+](CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)Cc1ccccc1 ZINC000246469432 1026169932 /nfs/dbraw/zinc/16/99/32/1026169932.db2.gz GNDIZYNTQMGJGR-GJZGRUSLSA-N 1 3 372.387 2.509 20 0 FFADHO C[N@@H+](CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)Cc1ccccc1 ZINC000246469432 1026169937 /nfs/dbraw/zinc/16/99/37/1026169937.db2.gz GNDIZYNTQMGJGR-GJZGRUSLSA-N 1 3 372.387 2.509 20 0 FFADHO CO[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000639210097 1026231306 /nfs/dbraw/zinc/23/13/06/1026231306.db2.gz GXFHJSUQGRQCKN-LEWJYISDSA-N 1 3 358.526 2.930 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102600354 1026398976 /nfs/dbraw/zinc/39/89/76/1026398976.db2.gz AQQBQLNKADPGTH-VQIMIIECSA-N 1 3 356.514 2.692 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001102600354 1026398988 /nfs/dbraw/zinc/39/89/88/1026398988.db2.gz AQQBQLNKADPGTH-VQIMIIECSA-N 1 3 356.514 2.692 20 0 FFADHO O=c1cc([C@@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]c(=O)[nH]1 ZINC000639713896 1026442817 /nfs/dbraw/zinc/44/28/17/1026442817.db2.gz OOQQCBUXOWVTBB-GOSISDBHSA-N 1 3 368.481 2.863 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000838765319 1026498385 /nfs/dbraw/zinc/49/83/85/1026498385.db2.gz GVQFRKOARIKDIN-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000838765319 1026498389 /nfs/dbraw/zinc/49/83/89/1026498389.db2.gz GVQFRKOARIKDIN-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C ZINC001103158122 1027013226 /nfs/dbraw/zinc/01/32/26/1027013226.db2.gz VCLMOQDARGNUCQ-KURKYZTESA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C ZINC001103158122 1027013236 /nfs/dbraw/zinc/01/32/36/1027013236.db2.gz VCLMOQDARGNUCQ-KURKYZTESA-N 1 3 367.578 2.606 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)c1cccc(Cl)c1Cl ZINC001158576679 1027065262 /nfs/dbraw/zinc/06/52/62/1027065262.db2.gz CUTPABXEXSCOTR-VHRBIJSZSA-N 1 3 374.287 2.919 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001158579503 1027066143 /nfs/dbraw/zinc/06/61/43/1027066143.db2.gz UGTUMCVVKPGBLW-NWANDNLSSA-N 1 3 373.394 2.631 20 0 FFADHO COc1nc(C)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159461260 1027400831 /nfs/dbraw/zinc/40/08/31/1027400831.db2.gz SBYCWHNWZDEKFW-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433606 1027475573 /nfs/dbraw/zinc/47/55/73/1027475573.db2.gz JLPIYCDRPUMJPO-FGTMMUONSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433606 1027475582 /nfs/dbraw/zinc/47/55/82/1027475582.db2.gz JLPIYCDRPUMJPO-FGTMMUONSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439633 1027488127 /nfs/dbraw/zinc/48/81/27/1027488127.db2.gz MCSIPVAPEKPOLN-HZPDHXFCSA-N 1 3 366.575 2.695 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439633 1027488132 /nfs/dbraw/zinc/48/81/32/1027488132.db2.gz MCSIPVAPEKPOLN-HZPDHXFCSA-N 1 3 366.575 2.695 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001159786139 1027498368 /nfs/dbraw/zinc/49/83/68/1027498368.db2.gz WHLWWGIUDBQDNR-OAHLLOKOSA-N 1 3 356.804 2.944 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001159788545 1027498519 /nfs/dbraw/zinc/49/85/19/1027498519.db2.gz KKTAJALVDTUHAU-HNNXBMFYSA-N 1 3 356.804 2.944 20 0 FFADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001160161048 1027616219 /nfs/dbraw/zinc/61/62/19/1027616219.db2.gz UBDLADGADQVWEB-QZTJIDSGSA-N 1 3 365.468 2.696 20 0 FFADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001160161048 1027616222 /nfs/dbraw/zinc/61/62/22/1027616222.db2.gz UBDLADGADQVWEB-QZTJIDSGSA-N 1 3 365.468 2.696 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](CC)OC)C[C@H]1C ZINC001103542661 1027658688 /nfs/dbraw/zinc/65/86/88/1027658688.db2.gz RNVSGYVGPRLIKB-VAMGGRTRSA-N 1 3 369.594 2.998 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@H]1C ZINC001103542661 1027658695 /nfs/dbraw/zinc/65/86/95/1027658695.db2.gz RNVSGYVGPRLIKB-VAMGGRTRSA-N 1 3 369.594 2.998 20 0 FFADHO CN1CCN(Cc2ccc(Nc3cccc4c3[C@@H]3C[NH2+]C[C@H]3O4)cc2)CC1 ZINC001160397008 1027693324 /nfs/dbraw/zinc/69/33/24/1027693324.db2.gz XLWUYXHVJRJQMP-WIYYLYMNSA-N 1 3 364.493 2.625 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000642642215 1027710491 /nfs/dbraw/zinc/71/04/91/1027710491.db2.gz IFTXMNDDGIWWNN-NRFANRHFSA-N 1 3 366.509 2.822 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H]1C ZINC001103614953 1027786559 /nfs/dbraw/zinc/78/65/59/1027786559.db2.gz XWZUHFRQJCLURL-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H]1C ZINC001103614953 1027786575 /nfs/dbraw/zinc/78/65/75/1027786575.db2.gz XWZUHFRQJCLURL-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO C[NH+](C)CCOc1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000643354010 1027941982 /nfs/dbraw/zinc/94/19/82/1027941982.db2.gz PHQWPZXLXQTENA-KRWDZBQOSA-N 1 3 371.456 2.661 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC001160958688 1027946321 /nfs/dbraw/zinc/94/63/21/1027946321.db2.gz ZMAAPBRVPBLNQI-DFQSSKMNSA-N 1 3 359.514 2.636 20 0 FFADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C[C@@H](N)c1ccc(Cl)cc1Cl)C2 ZINC001160964504 1027950220 /nfs/dbraw/zinc/95/02/20/1027950220.db2.gz PFQJMXHDHXFQJR-RGYTYGDFSA-N 1 3 356.297 2.793 20 0 FFADHO CS[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@H]1[NH+]1CCCC1 ZINC001153676444 1027956467 /nfs/dbraw/zinc/95/64/67/1027956467.db2.gz NOMCAUXWYIZQON-QZTJIDSGSA-N 1 3 372.538 2.943 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001153804285 1028002952 /nfs/dbraw/zinc/00/29/52/1028002952.db2.gz WPUBXXNCMFAGMW-HXUWFJFHSA-N 1 3 372.557 2.578 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001153804285 1028002970 /nfs/dbraw/zinc/00/29/70/1028002970.db2.gz WPUBXXNCMFAGMW-HXUWFJFHSA-N 1 3 372.557 2.578 20 0 FFADHO NC(C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)C(F)(F)F ZINC001161145524 1028037831 /nfs/dbraw/zinc/03/78/31/1028037831.db2.gz FROOYLOMIYXDOP-INIZCTEOSA-N 1 3 369.431 2.781 20 0 FFADHO CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](N)c3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001161174698 1028051687 /nfs/dbraw/zinc/05/16/87/1028051687.db2.gz CPDOLQQDRYHXNR-HLLBOEOZSA-N 1 3 369.431 2.896 20 0 FFADHO CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](N)c3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001161174698 1028051693 /nfs/dbraw/zinc/05/16/93/1028051693.db2.gz CPDOLQQDRYHXNR-HLLBOEOZSA-N 1 3 369.431 2.896 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)N(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001161258910 1028100170 /nfs/dbraw/zinc/10/01/70/1028100170.db2.gz QSJYONULKPQHJJ-IBGZPJMESA-N 1 3 361.530 2.582 20 0 FFADHO Cc1cc(CC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC001161444705 1028177636 /nfs/dbraw/zinc/17/76/36/1028177636.db2.gz KLTKUBQZXLTSJK-KRWDZBQOSA-N 1 3 371.447 2.699 20 0 FFADHO O=C1Nc2c(cccc2N[C@H]2CNCc3ccsc32)C12CC[NH2+]CC2 ZINC001163230554 1028850109 /nfs/dbraw/zinc/85/01/09/1028850109.db2.gz PJLKZZMDOUXDNY-HNNXBMFYSA-N 1 3 354.479 2.578 20 0 FFADHO c1cc(N[C@H]2CCCC[C@@]23CNCCO3)cc2c1CCC21CC[NH2+]CC1 ZINC001163649587 1029007467 /nfs/dbraw/zinc/00/74/67/1029007467.db2.gz APTAXSPBNVFSEU-RBBKRZOGSA-N 1 3 355.526 2.967 20 0 FFADHO Clc1nc2c(c(-n3c4ccccc4nc3C3CC[NH2+]CC3)n1)CNCC2 ZINC001163758269 1029049503 /nfs/dbraw/zinc/04/95/03/1029049503.db2.gz DQADJMCZCRKXSI-UHFFFAOYSA-N 1 3 368.872 2.582 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2(CNCc3nc(C)cs3)CC2)CC[N@@H+]1C ZINC001164578606 1029330463 /nfs/dbraw/zinc/33/04/63/1029330463.db2.gz JKIBTKWYGGGZAZ-JKSUJKDBSA-N 1 3 364.559 2.558 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2(CNCc3nc(C)cs3)CC2)CC[N@H+]1C ZINC001164578606 1029330487 /nfs/dbraw/zinc/33/04/87/1029330487.db2.gz JKIBTKWYGGGZAZ-JKSUJKDBSA-N 1 3 364.559 2.558 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782446 1029437099 /nfs/dbraw/zinc/43/70/99/1029437099.db2.gz JISGRKIIZVBCFQ-IPJJNNNSSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782446 1029437105 /nfs/dbraw/zinc/43/71/05/1029437105.db2.gz JISGRKIIZVBCFQ-IPJJNNNSSA-N 1 3 370.541 2.735 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(CCOCC1CC1)C2)[NH+](CC)CC ZINC001111869917 1029649283 /nfs/dbraw/zinc/64/92/83/1029649283.db2.gz QYMPYPQJIZCAEO-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(-c4ccncc4)cn3)CC2)CC1 ZINC001157842044 1029674102 /nfs/dbraw/zinc/67/41/02/1029674102.db2.gz KYYQUKCFJJEMKE-UHFFFAOYSA-N 1 3 351.498 2.607 20 0 FFADHO N[C@@]1(C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCc2cc(F)ccc2C1 ZINC001158031349 1029711922 /nfs/dbraw/zinc/71/19/22/1029711922.db2.gz LUYFRMYPNXYWPF-YADHBBJMSA-N 1 3 373.516 2.784 20 0 FFADHO C[C@@H]1CCc2c(sc3ncnc(N4CCC([N@@H+]5CC[C@H](N)C5)CC4)c23)C1 ZINC001158261685 1029775934 /nfs/dbraw/zinc/77/59/34/1029775934.db2.gz OQXSMIWSBHOKNV-KGLIPLIRSA-N 1 3 371.554 2.818 20 0 FFADHO C[C@@H]1CCc2c(sc3ncnc(N4CCC([N@H+]5CC[C@H](N)C5)CC4)c23)C1 ZINC001158261685 1029775938 /nfs/dbraw/zinc/77/59/38/1029775938.db2.gz OQXSMIWSBHOKNV-KGLIPLIRSA-N 1 3 371.554 2.818 20 0 FFADHO O=C([C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337620 1029801058 /nfs/dbraw/zinc/80/10/58/1029801058.db2.gz ZBLFBFXXGPNWKS-AGOPTVSRSA-N 1 3 361.489 2.620 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)C)C1 ZINC001112123720 1030053520 /nfs/dbraw/zinc/05/35/20/1030053520.db2.gz YFAZKVZOGZMGCD-ZIAGYGMSSA-N 1 3 351.457 2.742 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166313 1030132042 /nfs/dbraw/zinc/13/20/42/1030132042.db2.gz ODRSRKVFJKIWTF-JWQHCSQXSA-N 1 3 361.452 2.806 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841290101 1030162878 /nfs/dbraw/zinc/16/28/78/1030162878.db2.gz ASWBUWZIOUVJPJ-APWZRJJASA-N 1 3 368.481 2.981 20 0 FFADHO c1cn(-c2cc[nH+]c(N3CCCn4cnc(CNC5CCC5)c4C3)c2)cn1 ZINC001165911354 1030169174 /nfs/dbraw/zinc/16/91/74/1030169174.db2.gz VAAQLFVZXUHECM-UHFFFAOYSA-N 1 3 363.469 2.516 20 0 FFADHO O=C(NCCCCCCC[NH+]1CCCC1)Nc1cnc2c(c1)CNCC2 ZINC000841321368 1030194636 /nfs/dbraw/zinc/19/46/36/1030194636.db2.gz HEPWAXWTBDDVQQ-UHFFFAOYSA-N 1 3 359.518 2.895 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)CN1Cc1ccccc1 ZINC000841854881 1030504187 /nfs/dbraw/zinc/50/41/87/1030504187.db2.gz FXAFGQOZRVBVDZ-UWJYYQICSA-N 1 3 366.509 2.650 20 0 FFADHO Cc1cncc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccco4)CO3)CC2)n1 ZINC001203165359 1030632690 /nfs/dbraw/zinc/63/26/90/1030632690.db2.gz FAMBFSCMSJHNAK-SFHVURJKSA-N 1 3 356.470 2.634 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699665965 1030707838 /nfs/dbraw/zinc/70/78/38/1030707838.db2.gz QATKARFNJFXNBH-BZSNNMDCSA-N 1 3 369.550 2.865 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699665301 1030708805 /nfs/dbraw/zinc/70/88/05/1030708805.db2.gz LMIYDWYKQHHJMG-ROUUACIJSA-N 1 3 369.550 2.722 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1)C1CC1 ZINC001112399258 1030742974 /nfs/dbraw/zinc/74/29/74/1030742974.db2.gz JXZMLTSUKFUCTR-NSHGMRRFSA-N 1 3 353.526 2.685 20 0 FFADHO Cc1ccc2c(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cc(=O)oc2c1 ZINC000842479447 1030754243 /nfs/dbraw/zinc/75/42/43/1030754243.db2.gz SUJNMBIMTVMRDK-PKOBYXMFSA-N 1 3 356.466 2.820 20 0 FFADHO Cc1cc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)c(C)c1 ZINC001203742557 1030853370 /nfs/dbraw/zinc/85/33/70/1030853370.db2.gz CBVOCKWHAZNWSC-DYXWJJEUSA-N 1 3 353.514 2.798 20 0 FFADHO Cc1cc(C)c(CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)c(C)c1 ZINC001203742557 1030853387 /nfs/dbraw/zinc/85/33/87/1030853387.db2.gz CBVOCKWHAZNWSC-DYXWJJEUSA-N 1 3 353.514 2.798 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc[nH]1)CC2 ZINC001204005361 1031031983 /nfs/dbraw/zinc/03/19/83/1031031983.db2.gz FWYCMEZOWNCJLS-HXUWFJFHSA-N 1 3 354.498 2.913 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc[nH]1)CC2 ZINC001204005361 1031032003 /nfs/dbraw/zinc/03/20/03/1031032003.db2.gz FWYCMEZOWNCJLS-HXUWFJFHSA-N 1 3 354.498 2.913 20 0 FFADHO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccncc3)O2)CC1 ZINC001204078812 1031085147 /nfs/dbraw/zinc/08/51/47/1031085147.db2.gz HHNPXBRZPRIVIM-NJDAHSKKSA-N 1 3 359.514 2.562 20 0 FFADHO CN(CCNC(=O)OC(C)(C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204266879 1031193994 /nfs/dbraw/zinc/19/39/94/1031193994.db2.gz NVWLBSDZXVGJNM-UHFFFAOYSA-N 1 3 365.518 2.974 20 0 FFADHO [NH3+]C[C@]1(O)CCCN(Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205221659 1031606081 /nfs/dbraw/zinc/60/60/81/1031606081.db2.gz VMYKUSURGSPUBY-INIZCTEOSA-N 1 3 352.276 2.606 20 0 FFADHO COc1ccc(OCc2ccccc2)c(CN2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205240068 1031618335 /nfs/dbraw/zinc/61/83/35/1031618335.db2.gz HOUALKGNVCMLSQ-QFIPXVFZSA-N 1 3 370.493 2.950 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCC2CC2)C1 ZINC001205452369 1031758149 /nfs/dbraw/zinc/75/81/49/1031758149.db2.gz BXWVRCCFSJUSGA-VQTJNVASSA-N 1 3 361.505 2.852 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccns3)CCCCC2)CC[N@@H+]1C ZINC001115544963 1031824584 /nfs/dbraw/zinc/82/45/84/1031824584.db2.gz KHQXRMJMJQEFJC-DLBZAZTESA-N 1 3 364.559 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccns3)CCCCC2)CC[N@H+]1C ZINC001115544963 1031824599 /nfs/dbraw/zinc/82/45/99/1031824599.db2.gz KHQXRMJMJQEFJC-DLBZAZTESA-N 1 3 364.559 2.782 20 0 FFADHO [NH3+]C[C@@]1(F)CCCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC001205591289 1031856504 /nfs/dbraw/zinc/85/65/04/1031856504.db2.gz JSYHUPKZRJGIOM-OAHLLOKOSA-N 1 3 355.255 2.978 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cn2cc(C(F)(F)F)ccc2n1 ZINC001218717754 1033303354 /nfs/dbraw/zinc/30/33/54/1033303354.db2.gz XOROQJXLFPPCOY-ZDUSSCGKSA-N 1 3 371.407 2.787 20 0 FFADHO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2)n1 ZINC001218842945 1033368765 /nfs/dbraw/zinc/36/87/65/1033368765.db2.gz LWSWNQAXEJFTOS-QGZVFWFLSA-N 1 3 371.510 2.510 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037320 1033481098 /nfs/dbraw/zinc/48/10/98/1033481098.db2.gz DIHMBUIFTGRFSD-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)OCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223613046 1033517198 /nfs/dbraw/zinc/51/71/98/1033517198.db2.gz CXNVUUJLKQGUGY-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223613046 1033517199 /nfs/dbraw/zinc/51/71/99/1033517199.db2.gz CXNVUUJLKQGUGY-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)c3csc([C@H]4CCCN4)n3)cc2)C1 ZINC001219235892 1033567031 /nfs/dbraw/zinc/56/70/31/1033567031.db2.gz HXMKNBSFQOKMDZ-CZUORRHYSA-N 1 3 371.510 2.747 20 0 FFADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCC[NH3+])ccc1Sc1ccccc1 ZINC001219357455 1033615355 /nfs/dbraw/zinc/61/53/55/1033615355.db2.gz XUPLJZVLUHMKKL-INIZCTEOSA-N 1 3 373.478 2.629 20 0 FFADHO [NH3+]C12CCC(C(=O)NCCN3CCC(Cc4ccccc4)CC3)(CC1)C2 ZINC001219669367 1033740289 /nfs/dbraw/zinc/74/02/89/1033740289.db2.gz WAIXSPABTKQANJ-UHFFFAOYSA-N 1 3 355.526 2.719 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224222730 1033781171 /nfs/dbraw/zinc/78/11/71/1033781171.db2.gz XQELSNOLQYHFNX-CTNGQTDRSA-N 1 3 370.541 2.689 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220062225 1033966208 /nfs/dbraw/zinc/96/62/08/1033966208.db2.gz QUANMEQZJNEOTQ-WMLDXEAASA-N 1 3 371.447 2.956 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220062225 1033966222 /nfs/dbraw/zinc/96/62/22/1033966222.db2.gz QUANMEQZJNEOTQ-WMLDXEAASA-N 1 3 371.447 2.956 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001220062067 1033966455 /nfs/dbraw/zinc/96/64/55/1033966455.db2.gz LEHBWYJIIYUUAH-HKUYNNGSSA-N 1 3 363.571 2.936 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001220062067 1033966463 /nfs/dbraw/zinc/96/64/63/1033966463.db2.gz LEHBWYJIIYUUAH-HKUYNNGSSA-N 1 3 363.571 2.936 20 0 FFADHO COCCC1([NH3+])CCN(C(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)CC1 ZINC001221136878 1034572929 /nfs/dbraw/zinc/57/29/29/1034572929.db2.gz WSKUIWYADZUYIO-OAHLLOKOSA-N 1 3 374.312 2.740 20 0 FFADHO [NH3+][C@@H](CC(=O)NC[C@@H]1Cc2ccccc2CN1)Cc1cccc2ccccc21 ZINC001221396861 1034712411 /nfs/dbraw/zinc/71/24/11/1034712411.db2.gz DMQVKHPIIQJDDY-YADHBBJMSA-N 1 3 373.500 2.930 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(N(C)C)CCC2)c1 ZINC001226781889 1034835987 /nfs/dbraw/zinc/83/59/87/1034835987.db2.gz DVDMMDZISBUODK-RTBURBONSA-N 1 3 359.514 2.697 20 0 FFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800598 1034845727 /nfs/dbraw/zinc/84/57/27/1034845727.db2.gz MLNGNYIWXMSITR-VAMGGRTRSA-N 1 3 361.505 2.991 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nsc1C)N(C)C ZINC001227056194 1034922061 /nfs/dbraw/zinc/92/20/61/1034922061.db2.gz AUYPPVZYYDUKPA-BRWVUGGUSA-N 1 3 352.548 2.617 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N(C)C)c1)N(C)C ZINC001227057597 1034923887 /nfs/dbraw/zinc/92/38/87/1034923887.db2.gz WPOKNAZSYAXLBF-VAMGGRTRSA-N 1 3 360.546 2.610 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000834780082 1035448125 /nfs/dbraw/zinc/44/81/25/1035448125.db2.gz DQDITFHBMYKMOS-BKVYSMKUSA-N 1 3 356.466 2.814 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC001227882320 1035785011 /nfs/dbraw/zinc/78/50/11/1035785011.db2.gz LMFACLUKQLNBSQ-LJQANCHMSA-N 1 3 350.551 2.813 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227901342 1035794525 /nfs/dbraw/zinc/79/45/25/1035794525.db2.gz XSSBKSKURBPJMH-QZTJIDSGSA-N 1 3 353.551 2.695 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001229232313 1036566697 /nfs/dbraw/zinc/56/66/97/1036566697.db2.gz ZUTGYDDPZFYIEW-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC001229859964 1036942349 /nfs/dbraw/zinc/94/23/49/1036942349.db2.gz JBBXVXMTLFIPCK-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC001229868939 1036948211 /nfs/dbraw/zinc/94/82/11/1036948211.db2.gz QJDWUVPDDVDQFI-RTBURBONSA-N 1 3 367.484 2.866 20 0 FFADHO Cc1ccccc1OCCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992762 1037032758 /nfs/dbraw/zinc/03/27/58/1037032758.db2.gz GIIKDCLWKXWGBD-UAFMIMERSA-N 1 3 373.541 2.541 20 0 FFADHO Cc1ccccc1OCCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992762 1037032772 /nfs/dbraw/zinc/03/27/72/1037032772.db2.gz GIIKDCLWKXWGBD-UAFMIMERSA-N 1 3 373.541 2.541 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001230242686 1037172773 /nfs/dbraw/zinc/17/27/73/1037172773.db2.gz FSDVOBDWBUDCPR-WOJBJXKFSA-N 1 3 361.530 2.805 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001230263339 1037183695 /nfs/dbraw/zinc/18/36/95/1037183695.db2.gz RALICDSEKYFXHS-IAGOWNOFSA-N 1 3 350.532 2.536 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286114 1037196689 /nfs/dbraw/zinc/19/66/89/1037196689.db2.gz AVECICKCSLPTDB-AQNXPRMDSA-N 1 3 367.578 2.941 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1ccc(Cl)c(C)c1F)C2 ZINC001235335078 1037488455 /nfs/dbraw/zinc/48/84/55/1037488455.db2.gz ULINJXQHPVNXGM-GJRWTSMGSA-N 1 3 366.864 2.618 20 0 FFADHO CN(Cc1ccco1)[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@@H]2CCCO[C@H]12 ZINC001235531398 1037612328 /nfs/dbraw/zinc/61/23/28/1037612328.db2.gz IQXRHNJQTDDDFZ-MMKMLUHNSA-N 1 3 361.530 2.581 20 0 FFADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207624911 1037613632 /nfs/dbraw/zinc/61/36/32/1037613632.db2.gz JUUOEOLQJDAYAY-KSZLIROESA-N 1 3 356.514 2.501 20 0 FFADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207624911 1037613635 /nfs/dbraw/zinc/61/36/35/1037613635.db2.gz JUUOEOLQJDAYAY-KSZLIROESA-N 1 3 356.514 2.501 20 0 FFADHO O=C1C[C@@H]2[C@H](CCN2Cc2ccc3c(c2)C[NH2+]CC3)N1c1ccsc1 ZINC001235588781 1037636257 /nfs/dbraw/zinc/63/62/57/1037636257.db2.gz WSJNSKAQKUKHBO-RBUKOAKNSA-N 1 3 353.491 2.774 20 0 FFADHO [NH3+]Cc1cccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001235598853 1037638896 /nfs/dbraw/zinc/63/88/96/1037638896.db2.gz WSWLBQHNWVZUAM-TZIWHRDSSA-N 1 3 355.457 2.622 20 0 FFADHO c1c(CN2CCN3C[C@@H](Oc4ccccc4)C[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001235609461 1037642487 /nfs/dbraw/zinc/64/24/87/1037642487.db2.gz LLZBMTIQYQTIIR-MJGOQNOKSA-N 1 3 369.534 2.731 20 0 FFADHO CC(C)OCCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207789717 1037725393 /nfs/dbraw/zinc/72/53/93/1037725393.db2.gz DMSQTIGSDSDEKI-IEBWSBKVSA-N 1 3 367.578 2.891 20 0 FFADHO CC(C)OCCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207789717 1037725412 /nfs/dbraw/zinc/72/54/12/1037725412.db2.gz DMSQTIGSDSDEKI-IEBWSBKVSA-N 1 3 367.578 2.891 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3csc(C(F)(F)F)c3)C[C@H]1C2 ZINC001236027854 1037894145 /nfs/dbraw/zinc/89/41/45/1037894145.db2.gz OEAHLPVZSVESBL-IATRGZMQSA-N 1 3 374.428 2.597 20 0 FFADHO CCOC(=O)[C@]12CN(Cc3ccccc3-c3cccnc3)C[C@H]1C[NH2+]CC2 ZINC001236039619 1037899819 /nfs/dbraw/zinc/89/98/19/1037899819.db2.gz WQLYWRWYIFKQCT-DENIHFKCSA-N 1 3 365.477 2.723 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN(Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC001236071850 1037914128 /nfs/dbraw/zinc/91/41/28/1037914128.db2.gz BGRBYBUCDFDMLP-OAQYLSRUSA-N 1 3 351.494 2.873 20 0 FFADHO Cc1cc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)n(-c2ccccc2)n1 ZINC001236100231 1037934272 /nfs/dbraw/zinc/93/42/72/1037934272.db2.gz ABUQIWUCNRZGKL-LJQANCHMSA-N 1 3 353.514 2.692 20 0 FFADHO CC(C)Oc1ccc(CN2CCC([NH+]3CCNCC3)CC2)cc1Cl ZINC001236128184 1037944511 /nfs/dbraw/zinc/94/45/11/1037944511.db2.gz MZYVRTCFFZBRBD-UHFFFAOYSA-N 1 3 351.922 2.997 20 0 FFADHO c1ccc(-c2cccc(N3CCN(CC[C@@H]4C[NH2+]CCO4)CC3)c2)cc1 ZINC001236183288 1037970173 /nfs/dbraw/zinc/97/01/73/1037970173.db2.gz VUPYOVNXNCOXDM-JOCHJYFZSA-N 1 3 351.494 2.854 20 0 FFADHO c1ccc(-c2cccc(N3CC[NH+](CC[C@@H]4CNCCO4)CC3)c2)cc1 ZINC001236183288 1037970186 /nfs/dbraw/zinc/97/01/86/1037970186.db2.gz VUPYOVNXNCOXDM-JOCHJYFZSA-N 1 3 351.494 2.854 20 0 FFADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001236232102 1037996756 /nfs/dbraw/zinc/99/67/56/1037996756.db2.gz BAKHTAGWSSDGLJ-QHCPKHFHSA-N 1 3 365.521 2.665 20 0 FFADHO COC(=O)c1ccc(CN2CCN(CC3(C)CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC001208113567 1038045564 /nfs/dbraw/zinc/04/55/64/1038045564.db2.gz LJDIARDTBYAEQH-GOSISDBHSA-N 1 3 373.541 2.711 20 0 FFADHO COc1ccc(CN(C[C@H]2[C@@H](C)CNCC2(F)F)C2CC[NH2+]CC2)cc1 ZINC001236441143 1038091288 /nfs/dbraw/zinc/09/12/88/1038091288.db2.gz RNBHFHMXINUVDK-KXBFYZLASA-N 1 3 367.484 2.740 20 0 FFADHO Cc1ccc([C@@H](C)CC[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)o1 ZINC001208153332 1038096176 /nfs/dbraw/zinc/09/61/76/1038096176.db2.gz CKYADAIGTQAHBV-KRWDZBQOSA-N 1 3 371.525 2.906 20 0 FFADHO Cc1ccc([C@@H](C)CC[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)o1 ZINC001208153332 1038096197 /nfs/dbraw/zinc/09/61/97/1038096197.db2.gz CKYADAIGTQAHBV-KRWDZBQOSA-N 1 3 371.525 2.906 20 0 FFADHO c1c[nH]c(C[N@H+]2CCC3(C2)CCN(Cc2c[nH]c4ncncc24)CC3)c1 ZINC001278887346 1038167803 /nfs/dbraw/zinc/16/78/03/1038167803.db2.gz ZPMQCVBGKFZLSY-UHFFFAOYSA-N 1 3 350.470 2.726 20 0 FFADHO c1c[nH]c(C[N@@H+]2CCC3(C2)CCN(Cc2c[nH]c4ncncc24)CC3)c1 ZINC001278887346 1038167806 /nfs/dbraw/zinc/16/78/06/1038167806.db2.gz ZPMQCVBGKFZLSY-UHFFFAOYSA-N 1 3 350.470 2.726 20 0 FFADHO C[C@H](Cc1ccccc1F)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255847708 1038203289 /nfs/dbraw/zinc/20/32/89/1038203289.db2.gz YLUPGAWRHJSREN-QGZVFWFLSA-N 1 3 371.500 2.581 20 0 FFADHO C[C@H](Cc1ccccc1F)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255847708 1038203305 /nfs/dbraw/zinc/20/33/05/1038203305.db2.gz YLUPGAWRHJSREN-QGZVFWFLSA-N 1 3 371.500 2.581 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N(C)CC[NH+]2CCCC2)CC1 ZINC001255936378 1038262415 /nfs/dbraw/zinc/26/24/15/1038262415.db2.gz MQBGEQJMTHZTFF-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001255939343 1038265778 /nfs/dbraw/zinc/26/57/78/1038265778.db2.gz CBDUKGVAZCXWQM-SJORKVTESA-N 1 3 369.550 2.722 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001255939343 1038265791 /nfs/dbraw/zinc/26/57/91/1038265791.db2.gz CBDUKGVAZCXWQM-SJORKVTESA-N 1 3 369.550 2.722 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001255940829 1038267180 /nfs/dbraw/zinc/26/71/80/1038267180.db2.gz HCIAYBCKVXYAKL-YLJYHZDGSA-N 1 3 371.566 2.849 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001255940829 1038267194 /nfs/dbraw/zinc/26/71/94/1038267194.db2.gz HCIAYBCKVXYAKL-YLJYHZDGSA-N 1 3 371.566 2.849 20 0 FFADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255977244 1038287355 /nfs/dbraw/zinc/28/73/55/1038287355.db2.gz MGSSSKLNTBXERW-CQSZACIVSA-N 1 3 357.420 2.637 20 0 FFADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255977244 1038287366 /nfs/dbraw/zinc/28/73/66/1038287366.db2.gz MGSSSKLNTBXERW-CQSZACIVSA-N 1 3 357.420 2.637 20 0 FFADHO C[C@H](C[NH3+])CN(Cc1ccccc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255977244 1038287374 /nfs/dbraw/zinc/28/73/74/1038287374.db2.gz MGSSSKLNTBXERW-CQSZACIVSA-N 1 3 357.420 2.637 20 0 FFADHO CN1CCC([NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001256211343 1038433129 /nfs/dbraw/zinc/43/31/29/1038433129.db2.gz UWBNANPZDIKLAW-UHFFFAOYSA-N 1 3 357.420 2.797 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)CC1 ZINC001208596454 1038435192 /nfs/dbraw/zinc/43/51/92/1038435192.db2.gz PACAPSXWLIVNQD-PWRODBHTSA-N 1 3 359.514 2.562 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C[C@H]2CC[C@H](C(=O)OC)CC2)CC1 ZINC001208629154 1038458551 /nfs/dbraw/zinc/45/85/51/1038458551.db2.gz LEPIFVLQFGNNLC-LNLFQRSKSA-N 1 3 352.519 2.541 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C[C@H]2CC[C@H](C(=O)OC)CC2)CC1 ZINC001208629154 1038458554 /nfs/dbraw/zinc/45/85/54/1038458554.db2.gz LEPIFVLQFGNNLC-LNLFQRSKSA-N 1 3 352.519 2.541 20 0 FFADHO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001256390104 1038496111 /nfs/dbraw/zinc/49/61/11/1038496111.db2.gz NTUKVDJTKIECIK-UFYCRDLUSA-N 1 3 362.539 2.674 20 0 FFADHO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001256390104 1038496113 /nfs/dbraw/zinc/49/61/13/1038496113.db2.gz NTUKVDJTKIECIK-UFYCRDLUSA-N 1 3 362.539 2.674 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cc3ccccc3o2)C2CC2)CC[N@@H+]1C ZINC001276590340 1038542612 /nfs/dbraw/zinc/54/26/12/1038542612.db2.gz WBNAPELQBITNAP-NIKGAXFTSA-N 1 3 355.482 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cc3ccccc3o2)C2CC2)CC[N@H+]1C ZINC001276590340 1038542614 /nfs/dbraw/zinc/54/26/14/1038542614.db2.gz WBNAPELQBITNAP-NIKGAXFTSA-N 1 3 355.482 2.757 20 0 FFADHO c1ccc(CN2CCC(N(c3cnccn3)C3CC[NH2+]CC3)CC2)cc1 ZINC001256613625 1038581653 /nfs/dbraw/zinc/58/16/53/1038581653.db2.gz QVNCLKMTSFTDNS-UHFFFAOYSA-N 1 3 351.498 2.700 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256679269 1038599718 /nfs/dbraw/zinc/59/97/18/1038599718.db2.gz IAHDQAMGPGHPMY-OBMPSLJJSA-N 1 3 367.534 2.523 20 0 FFADHO CC1(N2CCOCC2)CC[NH+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208952791 1038603703 /nfs/dbraw/zinc/60/37/03/1038603703.db2.gz LUVUKBWQKVSPER-OAQYLSRUSA-N 1 3 357.542 2.695 20 0 FFADHO Cc1ccc(CC[N@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)cc1 ZINC001276620205 1038689011 /nfs/dbraw/zinc/68/90/11/1038689011.db2.gz FUJLOFSNRRMSOP-JOCHJYFZSA-N 1 3 357.542 2.804 20 0 FFADHO Cc1ccc(CC[N@@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)cc1 ZINC001276620205 1038689017 /nfs/dbraw/zinc/68/90/17/1038689017.db2.gz FUJLOFSNRRMSOP-JOCHJYFZSA-N 1 3 357.542 2.804 20 0 FFADHO CC(C)[NH+]1CCC(N2CCC3(CC2)Cc2ccccc2CNC3=O)CC1 ZINC001257219952 1038748882 /nfs/dbraw/zinc/74/88/82/1038748882.db2.gz KZRIXLZRLVAMNR-UHFFFAOYSA-N 1 3 355.526 2.814 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)N1CCN(CCC[NH+](C)C)CC1 ZINC001257566131 1038868802 /nfs/dbraw/zinc/86/88/02/1038868802.db2.gz XLIAWVQLCCEGKI-MRXNPFEDSA-N 1 3 368.363 2.949 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001245996324 1039182835 /nfs/dbraw/zinc/18/28/35/1039182835.db2.gz VFGQCKJLXPDEEK-ULQDDVLXSA-N 1 3 367.493 2.896 20 0 FFADHO O[C@@H](CNC1(CC2CCC2)CC[NH2+]CC1)COc1ccc(Cl)cc1 ZINC001246010792 1039189528 /nfs/dbraw/zinc/18/95/28/1039189528.db2.gz OQSULRMOFXJDBS-KRWDZBQOSA-N 1 3 352.906 2.982 20 0 FFADHO O[C@@H](C[NH2+]C1(CC2CCC2)CCNCC1)COc1ccc(Cl)cc1 ZINC001246010792 1039189535 /nfs/dbraw/zinc/18/95/35/1039189535.db2.gz OQSULRMOFXJDBS-KRWDZBQOSA-N 1 3 352.906 2.982 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584122 1039191047 /nfs/dbraw/zinc/19/10/47/1039191047.db2.gz SLAVUDDWFJRQNW-RRFJBIMHSA-N 1 3 370.431 2.603 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584122 1039191052 /nfs/dbraw/zinc/19/10/52/1039191052.db2.gz SLAVUDDWFJRQNW-RRFJBIMHSA-N 1 3 370.431 2.603 20 0 FFADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584122 1039191059 /nfs/dbraw/zinc/19/10/59/1039191059.db2.gz SLAVUDDWFJRQNW-RRFJBIMHSA-N 1 3 370.431 2.603 20 0 FFADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584122 1039191064 /nfs/dbraw/zinc/19/10/64/1039191064.db2.gz SLAVUDDWFJRQNW-RRFJBIMHSA-N 1 3 370.431 2.603 20 0 FFADHO O[C@@]1(C[NH+]2CCC(c3ccc(Br)cc3)CC2)CCCNC1 ZINC001246041478 1039211017 /nfs/dbraw/zinc/21/10/17/1039211017.db2.gz ZNNGZGXXHPDJST-KRWDZBQOSA-N 1 3 353.304 2.743 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)N(C)C)cc1 ZINC001251683970 1039250501 /nfs/dbraw/zinc/25/05/01/1039250501.db2.gz DUWHMDOILQFYHO-HKBOAZHASA-N 1 3 372.557 2.833 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)N(C)C)cc1 ZINC001251683970 1039250514 /nfs/dbraw/zinc/25/05/14/1039250514.db2.gz DUWHMDOILQFYHO-HKBOAZHASA-N 1 3 372.557 2.833 20 0 FFADHO O[C@H](CN[C@H]1CCCC[NH2+]C1)CN(Cc1ccccc1)Cc1ccccc1 ZINC001246288608 1039299186 /nfs/dbraw/zinc/29/91/86/1039299186.db2.gz BLDNYLMDCVFALS-XZOQPEGZSA-N 1 3 367.537 2.781 20 0 FFADHO CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC(C3=CC=C(N)CN3)CC2)cc1 ZINC001246492960 1039370861 /nfs/dbraw/zinc/37/08/61/1039370861.db2.gz GBQAGGRBECETKN-MRXNPFEDSA-N 1 3 369.509 2.836 20 0 FFADHO NC[C@H]1C[N@@H+](C2CCC(c3ccc(Br)cc3)CC2)C[C@@H]1O ZINC001246586184 1039406823 /nfs/dbraw/zinc/40/68/23/1039406823.db2.gz RJQHVJINYVLVJC-VLVHBFOGSA-N 1 3 353.304 2.727 20 0 FFADHO NC[C@H]1C[N@H+](C2CCC(c3ccc(Br)cc3)CC2)C[C@@H]1O ZINC001246586184 1039406830 /nfs/dbraw/zinc/40/68/30/1039406830.db2.gz RJQHVJINYVLVJC-VLVHBFOGSA-N 1 3 353.304 2.727 20 0 FFADHO C[C@@H](Cc1ccccc1Br)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246631513 1039422292 /nfs/dbraw/zinc/42/22/92/1039422292.db2.gz QCPXRJRTZLFKRR-YSVLISHTSA-N 1 3 353.304 2.690 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@]23CNC[C@@H](C[C@H]2C1)O3 ZINC001246683436 1039437839 /nfs/dbraw/zinc/43/78/39/1039437839.db2.gz JTRXLLGYIBJXRW-AETAKHFUSA-N 1 3 370.415 2.969 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]23CNC[C@@H](C[C@H]2C1)O3 ZINC001246683436 1039437841 /nfs/dbraw/zinc/43/78/41/1039437841.db2.gz JTRXLLGYIBJXRW-AETAKHFUSA-N 1 3 370.415 2.969 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)CCN1 ZINC001246707171 1039443740 /nfs/dbraw/zinc/44/37/40/1039443740.db2.gz MZZTXWMUYXCRQA-AFYVEPGGSA-N 1 3 373.516 2.883 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)CCN1 ZINC001246707171 1039443747 /nfs/dbraw/zinc/44/37/47/1039443747.db2.gz MZZTXWMUYXCRQA-AFYVEPGGSA-N 1 3 373.516 2.883 20 0 FFADHO C[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246721904 1039449933 /nfs/dbraw/zinc/44/99/33/1039449933.db2.gz POXOBHPPOFUTKO-CBQOVEMMSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CCN1 ZINC001246721904 1039449935 /nfs/dbraw/zinc/44/99/35/1039449935.db2.gz POXOBHPPOFUTKO-CBQOVEMMSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CCN1 ZINC001246721904 1039449936 /nfs/dbraw/zinc/44/99/36/1039449936.db2.gz POXOBHPPOFUTKO-CBQOVEMMSA-N 1 3 355.526 2.684 20 0 FFADHO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCN[C@@H](C)C3)O2)cs1 ZINC001246734390 1039456890 /nfs/dbraw/zinc/45/68/90/1039456890.db2.gz XOLZJDCDLSRGNL-ZNLIYNOOSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CCN[C@@H](C)C3)O2)cs1 ZINC001246734390 1039456893 /nfs/dbraw/zinc/45/68/93/1039456893.db2.gz XOLZJDCDLSRGNL-ZNLIYNOOSA-N 1 3 365.543 2.731 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@H]3CN(C4CCC5(CC[NH2+]C5)CC4)CCN3C2)c1 ZINC001246750794 1039462826 /nfs/dbraw/zinc/46/28/26/1039462826.db2.gz UEZKECLRZOCJMJ-UGBHNFHBSA-N 1 3 373.516 2.885 20 0 FFADHO CC(C)[C@@H]1C[C@H](N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]1 ZINC001246749007 1039463725 /nfs/dbraw/zinc/46/37/25/1039463725.db2.gz QJVPGYDRIAHJAU-QCFAMHMHSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@H]1C[C@@H](N2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756739 1039467725 /nfs/dbraw/zinc/46/77/25/1039467725.db2.gz NUNOOBCTXYADHM-YYWHXJBOSA-N 1 3 361.505 2.885 20 0 FFADHO CC[C@@H]1C[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806998 1039487005 /nfs/dbraw/zinc/48/70/05/1039487005.db2.gz PVYCPVMHEYWDRK-BRWVUGGUSA-N 1 3 352.320 2.926 20 0 FFADHO Cc1cnc(Cl)c(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001278660122 1039500910 /nfs/dbraw/zinc/50/09/10/1039500910.db2.gz JODCPMSKGIPURA-LJQANCHMSA-N 1 3 350.938 2.893 20 0 FFADHO c1ccc(CN(C2CCC(N3CCOCC3)CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246919874 1039531908 /nfs/dbraw/zinc/53/19/08/1039531908.db2.gz HQPFCKRLQOOAKP-HRTMPFAESA-N 1 3 357.542 2.884 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001258908326 1039577130 /nfs/dbraw/zinc/57/71/30/1039577130.db2.gz UXNWBOIVKSHMIM-GOSISDBHSA-N 1 3 370.582 2.639 20 0 FFADHO Fc1ccc2c(c1)nc(-c1nc3c(s1)CNCC3)n2CC1CC[NH2+]CC1 ZINC001247035574 1039586697 /nfs/dbraw/zinc/58/66/97/1039586697.db2.gz YWRAOOZGTUSDJE-UHFFFAOYSA-N 1 3 371.485 2.944 20 0 FFADHO O[C@H](COCc1ccco1)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001252640728 1039626027 /nfs/dbraw/zinc/62/60/27/1039626027.db2.gz UZHHOFCKJDESFE-FQEVSTJZSA-N 1 3 370.493 2.755 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3ccnc(Cl)c3F)C[C@H]2CC1 ZINC001278684351 1039739298 /nfs/dbraw/zinc/73/92/98/1039739298.db2.gz YNJXISLOUOJTNT-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3ccnc(Cl)c3F)C[C@H]2CC1 ZINC001278684351 1039739308 /nfs/dbraw/zinc/73/93/08/1039739308.db2.gz YNJXISLOUOJTNT-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO Cc1ccc(C[C@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001252930776 1039807963 /nfs/dbraw/zinc/80/79/63/1039807963.db2.gz CCJGZZGSPRYSOJ-PZJWPPBQSA-N 1 3 374.573 2.984 20 0 FFADHO Cc1ccc(C[C@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001252930776 1039807977 /nfs/dbraw/zinc/80/79/77/1039807977.db2.gz CCJGZZGSPRYSOJ-PZJWPPBQSA-N 1 3 374.573 2.984 20 0 FFADHO c1ccc(COc2cccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)c2)cc1 ZINC001247828725 1039975746 /nfs/dbraw/zinc/97/57/46/1039975746.db2.gz FLHALXLCMLDRLO-GOSISDBHSA-N 1 3 362.433 2.592 20 0 FFADHO CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@](C)(O)c1ccccc1 ZINC001253127870 1039993406 /nfs/dbraw/zinc/99/34/06/1039993406.db2.gz ZAQJLYDNOXJPMB-BDTNDASRSA-N 1 3 354.494 2.773 20 0 FFADHO CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@](C)(O)c1ccccc1 ZINC001253127870 1039993417 /nfs/dbraw/zinc/99/34/17/1039993417.db2.gz ZAQJLYDNOXJPMB-BDTNDASRSA-N 1 3 354.494 2.773 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001253186922 1040028191 /nfs/dbraw/zinc/02/81/91/1040028191.db2.gz UFKVQJKOUKKUNB-MQGJPIDWSA-N 1 3 358.526 2.886 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001253186922 1040028208 /nfs/dbraw/zinc/02/82/08/1040028208.db2.gz UFKVQJKOUKKUNB-MQGJPIDWSA-N 1 3 358.526 2.886 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccccc3C(F)F)C[C@H]2CC1 ZINC001278716434 1040136136 /nfs/dbraw/zinc/13/61/36/1040136136.db2.gz BLJOUYJDPSMYNE-IYBDPMFKSA-N 1 3 365.468 2.856 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccccc3C(F)F)C[C@H]2CC1 ZINC001278716434 1040136142 /nfs/dbraw/zinc/13/61/42/1040136142.db2.gz BLJOUYJDPSMYNE-IYBDPMFKSA-N 1 3 365.468 2.856 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001253430866 1040177097 /nfs/dbraw/zinc/17/70/97/1040177097.db2.gz MRBDEABPLCJVEY-IYWMVGAKSA-N 1 3 374.525 2.717 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC001253430866 1040177106 /nfs/dbraw/zinc/17/71/06/1040177106.db2.gz MRBDEABPLCJVEY-IYWMVGAKSA-N 1 3 374.525 2.717 20 0 FFADHO CC(C)(C)OC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001253480844 1040202738 /nfs/dbraw/zinc/20/27/38/1040202738.db2.gz QNFUEWNRBOHKFE-GOSISDBHSA-N 1 3 352.494 2.803 20 0 FFADHO CN1CCN(Cc2cccc(-c3noc([C@@H]4CC(C)(C)C[NH2+]4)n3)c2)CC1 ZINC001248328846 1040233778 /nfs/dbraw/zinc/23/37/78/1040233778.db2.gz RMIVGWVXDLUUPK-KRWDZBQOSA-N 1 3 355.486 2.545 20 0 FFADHO CC(C)(C)CN1CCC([NH2+]C[C@](C)(O)C(=O)OCc2ccccc2)CC1 ZINC001253663005 1040302724 /nfs/dbraw/zinc/30/27/24/1040302724.db2.gz YMQFPXYHWRBGQM-NRFANRHFSA-N 1 3 362.514 2.581 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213264 1040341225 /nfs/dbraw/zinc/34/12/25/1040341225.db2.gz JCEMNMWICQHVTF-RTBURBONSA-N 1 3 367.578 2.894 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1cn(C)c2ccnc(Cl)c12 ZINC001248837212 1040459808 /nfs/dbraw/zinc/45/98/08/1040459808.db2.gz UCRJKGRJTBTPCO-UHFFFAOYSA-N 1 3 366.893 2.544 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1cn(C)c2ccnc(Cl)c12 ZINC001248837212 1040459816 /nfs/dbraw/zinc/45/98/16/1040459816.db2.gz UCRJKGRJTBTPCO-UHFFFAOYSA-N 1 3 366.893 2.544 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001254024236 1040526320 /nfs/dbraw/zinc/52/63/20/1040526320.db2.gz VNUPZVSMOVWHSH-KRWDZBQOSA-N 1 3 369.465 2.922 20 0 FFADHO CCCCOC(=O)[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254042309 1040544751 /nfs/dbraw/zinc/54/47/51/1040544751.db2.gz BZMAGOIERXOARO-HXUWFJFHSA-N 1 3 374.525 2.679 20 0 FFADHO CCCCOC(=O)[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254042309 1040544764 /nfs/dbraw/zinc/54/47/64/1040544764.db2.gz BZMAGOIERXOARO-HXUWFJFHSA-N 1 3 374.525 2.679 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434473 1040549529 /nfs/dbraw/zinc/54/95/29/1040549529.db2.gz DHWGSPRNZZSKKN-KZNAEPCWSA-N 1 3 355.567 2.749 20 0 FFADHO NCCC[NH2+]CCCCn1cc(COc2ccc3ccccc3c2)nn1 ZINC001254164783 1040590984 /nfs/dbraw/zinc/59/09/84/1040590984.db2.gz VBDWSRSEIRVYQA-UHFFFAOYSA-N 1 3 353.470 2.729 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230471 1040625278 /nfs/dbraw/zinc/62/52/78/1040625278.db2.gz CRBTZNWVEFQIPG-CVEARBPZSA-N 1 3 353.507 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230471 1040625283 /nfs/dbraw/zinc/62/52/83/1040625283.db2.gz CRBTZNWVEFQIPG-CVEARBPZSA-N 1 3 353.507 2.767 20 0 FFADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230471 1040625287 /nfs/dbraw/zinc/62/52/87/1040625287.db2.gz CRBTZNWVEFQIPG-CVEARBPZSA-N 1 3 353.507 2.767 20 0 FFADHO CCOC(=O)CN1CCC([N@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001254413399 1040706763 /nfs/dbraw/zinc/70/67/63/1040706763.db2.gz VXBMNTJWLXLLGS-UHFFFAOYSA-N 1 3 365.562 2.743 20 0 FFADHO CCOC(=O)CN1CCC([N@@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001254413399 1040706777 /nfs/dbraw/zinc/70/67/77/1040706777.db2.gz VXBMNTJWLXLLGS-UHFFFAOYSA-N 1 3 365.562 2.743 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001254517208 1040764835 /nfs/dbraw/zinc/76/48/35/1040764835.db2.gz FZBZDDSIGRKOJM-PZJWPPBQSA-N 1 3 356.514 2.523 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001254517208 1040764846 /nfs/dbraw/zinc/76/48/46/1040764846.db2.gz FZBZDDSIGRKOJM-PZJWPPBQSA-N 1 3 356.514 2.523 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC1 ZINC001254523736 1040778619 /nfs/dbraw/zinc/77/86/19/1040778619.db2.gz VRFQYNAFXKIAKW-FUHIMQAGSA-N 1 3 363.477 2.707 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC1 ZINC001254523736 1040778635 /nfs/dbraw/zinc/77/86/35/1040778635.db2.gz VRFQYNAFXKIAKW-FUHIMQAGSA-N 1 3 363.477 2.707 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753176 1040875386 /nfs/dbraw/zinc/87/53/86/1040875386.db2.gz AZVWPYFHENVGRU-RTBURBONSA-N 1 3 353.551 2.504 20 0 FFADHO CN(Cc1ccc(Br)c2nsnc21)C1CC[NH+](C)CC1 ZINC001249707621 1040950121 /nfs/dbraw/zinc/95/01/21/1040950121.db2.gz APOOXBRUIQZKMV-UHFFFAOYSA-N 1 3 355.305 2.980 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254814661 1040975933 /nfs/dbraw/zinc/97/59/33/1040975933.db2.gz ZADAWZRXSCRZOV-IXDOHACOSA-N 1 3 367.534 2.617 20 0 FFADHO COc1ccc(OC)c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001278548613 1041101406 /nfs/dbraw/zinc/10/14/06/1041101406.db2.gz MFPKTXNONUQGIY-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO COc1ccc(OC)c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001278548613 1041101412 /nfs/dbraw/zinc/10/14/12/1041101412.db2.gz MFPKTXNONUQGIY-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC001255021516 1041106770 /nfs/dbraw/zinc/10/67/70/1041106770.db2.gz QECXEFYFBJZCKM-LJQANCHMSA-N 1 3 356.510 2.893 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC001255021516 1041106774 /nfs/dbraw/zinc/10/67/74/1041106774.db2.gz QECXEFYFBJZCKM-LJQANCHMSA-N 1 3 356.510 2.893 20 0 FFADHO FC(F)(F)c1nn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2c1CNCC2 ZINC001255119651 1041153251 /nfs/dbraw/zinc/15/32/51/1041153251.db2.gz YCEGOHNPSSFJQG-CQSZACIVSA-N 1 3 350.388 2.995 20 0 FFADHO FC(F)(F)c1nn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2c1CNCC2 ZINC001255119651 1041153254 /nfs/dbraw/zinc/15/32/54/1041153254.db2.gz YCEGOHNPSSFJQG-CQSZACIVSA-N 1 3 350.388 2.995 20 0 FFADHO CC(C)(O)CN1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255150711 1041173420 /nfs/dbraw/zinc/17/34/20/1041173420.db2.gz XVTQSJJFRBURGL-WKCHPHFGSA-N 1 3 357.542 2.571 20 0 FFADHO CC(C)(O)CN1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150711 1041173430 /nfs/dbraw/zinc/17/34/30/1041173430.db2.gz XVTQSJJFRBURGL-WKCHPHFGSA-N 1 3 357.542 2.571 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC001261423193 1041228126 /nfs/dbraw/zinc/22/81/26/1041228126.db2.gz QXYRJGPAVDLALB-UAGQMJEPSA-N 1 3 369.431 2.946 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001255351352 1041282411 /nfs/dbraw/zinc/28/24/11/1041282411.db2.gz XGHMHWBLDZXNFK-HKUYNNGSSA-N 1 3 352.519 2.589 20 0 FFADHO CC(C)c1noc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC001261567165 1041310257 /nfs/dbraw/zinc/31/02/57/1041310257.db2.gz YFGRKAVHRVWDFC-UHFFFAOYSA-N 1 3 370.501 2.514 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c(OC)c1 ZINC001262575833 1041732174 /nfs/dbraw/zinc/73/21/74/1041732174.db2.gz ADHXJOBDJHNEKT-BKAMEKRSSA-N 1 3 360.498 2.684 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001215550923 1041826186 /nfs/dbraw/zinc/82/61/86/1041826186.db2.gz JPFOCLAJPZTIHW-XHKZUWJLSA-N 1 3 355.526 2.868 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnccc2C)C1 ZINC001215972937 1041920964 /nfs/dbraw/zinc/92/09/64/1041920964.db2.gz FRVMPUABMJGSGF-UYAOXDASSA-N 1 3 360.546 2.839 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(c3nnc([C@H]4CCCN(C)C4)n3C)C2)CC1 ZINC001262912631 1041955122 /nfs/dbraw/zinc/95/51/22/1041955122.db2.gz HFHJJYYBEQGOSR-OALUTQOASA-N 1 3 374.577 2.573 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(c3nnc([C@H]4CCCN(C)C4)n3C)C2)CC1 ZINC001262912630 1041955152 /nfs/dbraw/zinc/95/51/52/1041955152.db2.gz HFHJJYYBEQGOSR-MOPGFXCFSA-N 1 3 374.577 2.573 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc2c(s1)CNCC2 ZINC001263094457 1042099596 /nfs/dbraw/zinc/09/95/96/1042099596.db2.gz HNWIWMIVBCCMJW-UHFFFAOYSA-N 1 3 355.507 2.920 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001216852376 1042144350 /nfs/dbraw/zinc/14/43/50/1042144350.db2.gz XAZJSOCQPKKMRI-UPRAQXHNSA-N 1 3 365.468 2.729 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001216852333 1042144636 /nfs/dbraw/zinc/14/46/36/1042144636.db2.gz UPELIZHSGMKWTD-DBXWQHBBSA-N 1 3 357.542 2.568 20 0 FFADHO c1cc(C2CC[NH2+]CC2)ccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216937022 1042166340 /nfs/dbraw/zinc/16/63/40/1042166340.db2.gz KJDXRHZMVQCJLZ-UHFFFAOYSA-N 1 3 361.449 2.911 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001263928424 1042539152 /nfs/dbraw/zinc/53/91/52/1042539152.db2.gz ZUULDNFMQMGHQZ-PWRODBHTSA-N 1 3 359.558 2.998 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c(C)c1 ZINC001264101079 1042625682 /nfs/dbraw/zinc/62/56/82/1042625682.db2.gz SRDUPOXHJGEEJA-RTWAWAEBSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c(C)c1 ZINC001264101079 1042625685 /nfs/dbraw/zinc/62/56/85/1042625685.db2.gz SRDUPOXHJGEEJA-RTWAWAEBSA-N 1 3 357.542 2.924 20 0 FFADHO C[C@H](F)CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264596369 1042733275 /nfs/dbraw/zinc/73/32/75/1042733275.db2.gz RRRJKCLWNQHJPZ-KFKAGJAMSA-N 1 3 367.484 2.800 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CC[C@@H]2C1 ZINC001264655981 1042773488 /nfs/dbraw/zinc/77/34/88/1042773488.db2.gz VUHAEHJRKZSXKZ-RTWAWAEBSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)CC[C@@H]2C1 ZINC001264655981 1042773491 /nfs/dbraw/zinc/77/34/91/1042773491.db2.gz VUHAEHJRKZSXKZ-RTWAWAEBSA-N 1 3 357.542 2.926 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090992 1042903107 /nfs/dbraw/zinc/90/31/07/1042903107.db2.gz YHGPZABQZIUEKK-YLJYHZDGSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090992 1042903114 /nfs/dbraw/zinc/90/31/14/1042903114.db2.gz YHGPZABQZIUEKK-YLJYHZDGSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090992 1042903116 /nfs/dbraw/zinc/90/31/16/1042903116.db2.gz YHGPZABQZIUEKK-YLJYHZDGSA-N 1 3 369.550 2.603 20 0 FFADHO Cc1cc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)cc(OC(F)(F)F)c1 ZINC001279156507 1042924139 /nfs/dbraw/zinc/92/41/39/1042924139.db2.gz XPAOYJBVMQWQSD-UHFFFAOYSA-N 1 3 371.447 2.963 20 0 FFADHO Cc1cc(CN2CC3(C2)CCC[N@H+](CCCN2CCCCC2)C3)n(C)n1 ZINC001279275653 1042979302 /nfs/dbraw/zinc/97/93/02/1042979302.db2.gz XKLDDTOIZWNBNV-UHFFFAOYSA-N 1 3 359.562 2.502 20 0 FFADHO Cc1cc(CN2CC3(C2)CCC[N@@H+](CCCN2CCCCC2)C3)n(C)n1 ZINC001279275653 1042979304 /nfs/dbraw/zinc/97/93/04/1042979304.db2.gz XKLDDTOIZWNBNV-UHFFFAOYSA-N 1 3 359.562 2.502 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001279340809 1043012338 /nfs/dbraw/zinc/01/23/38/1043012338.db2.gz XVTKSCMMASMLGT-UHFFFAOYSA-N 1 3 352.482 2.833 20 0 FFADHO Cc1cnccc1CN1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279381769 1043039681 /nfs/dbraw/zinc/03/96/81/1043039681.db2.gz HSYVWWSMQNZLAR-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cnccc1CN1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279381769 1043039684 /nfs/dbraw/zinc/03/96/84/1043039684.db2.gz HSYVWWSMQNZLAR-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO COc1ncc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1Cl ZINC001279394926 1043050639 /nfs/dbraw/zinc/05/06/39/1043050639.db2.gz CORWPJMBXXSUAP-UHFFFAOYSA-N 1 3 366.937 2.593 20 0 FFADHO COc1ncc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cc1Cl ZINC001279394926 1043050650 /nfs/dbraw/zinc/05/06/50/1043050650.db2.gz CORWPJMBXXSUAP-UHFFFAOYSA-N 1 3 366.937 2.593 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccc(F)cn4)C[C@H]3CC2)n(C)n1 ZINC001279417949 1043086775 /nfs/dbraw/zinc/08/67/75/1043086775.db2.gz SWWRVXHNUSLNIR-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4ccc(F)cn4)C[C@H]3CC2)n(C)n1 ZINC001279417949 1043086789 /nfs/dbraw/zinc/08/67/89/1043086789.db2.gz SWWRVXHNUSLNIR-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2c[nH]c3ccc(Cl)cc23)CCC12C[NH2+]C2 ZINC001237431006 1043156820 /nfs/dbraw/zinc/15/68/20/1043156820.db2.gz OXFVQIVZGIHPRP-MRXNPFEDSA-N 1 3 361.873 2.796 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cc(C)cc(C)c2Cl)CCC12C[NH2+]C2 ZINC001237433011 1043158032 /nfs/dbraw/zinc/15/80/32/1043158032.db2.gz ZIFRFLJWSIIPDR-INIZCTEOSA-N 1 3 350.890 2.931 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(C)c(Cl)c2C)CCC12C[NH2+]C2 ZINC001237434610 1043160176 /nfs/dbraw/zinc/16/01/76/1043160176.db2.gz DHDKARWWQKJXTK-INIZCTEOSA-N 1 3 350.890 2.931 20 0 FFADHO C[NH+](C)CCN1CCO[C@]2(CCCN(Cc3cc4cccnc4s3)C2)C1 ZINC001279492745 1043179819 /nfs/dbraw/zinc/17/98/19/1043179819.db2.gz PPIYIKRQZFPTDM-HXUWFJFHSA-N 1 3 374.554 2.525 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279527513 1043227530 /nfs/dbraw/zinc/22/75/30/1043227530.db2.gz XHVUIAUEPBINQX-HDICACEKSA-N 1 3 363.933 2.615 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279527513 1043227532 /nfs/dbraw/zinc/22/75/32/1043227532.db2.gz XHVUIAUEPBINQX-HDICACEKSA-N 1 3 363.933 2.615 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccnc3c(F)cccc13)C2 ZINC001279561550 1043259824 /nfs/dbraw/zinc/25/98/24/1043259824.db2.gz VBZRXJOLZVFRFO-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cnc(-c3ccccc3)s1)C2 ZINC001279584165 1043295256 /nfs/dbraw/zinc/29/52/56/1043295256.db2.gz OCIJBCRMRABWRG-AEFFLSMTSA-N 1 3 356.539 2.878 20 0 FFADHO Cc1cc(CN2CC[C@]3(C2)CCC[N@@H+](CC(C)(C)CN(C)C)C3)n(C)n1 ZINC001279590444 1043303211 /nfs/dbraw/zinc/30/32/11/1043303211.db2.gz BOIZBNCKVSLSSR-NRFANRHFSA-N 1 3 361.578 2.604 20 0 FFADHO Cc1cc(CN2CC[C@]3(C2)CCC[N@H+](CC(C)(C)CN(C)C)C3)n(C)n1 ZINC001279590444 1043303221 /nfs/dbraw/zinc/30/32/21/1043303221.db2.gz BOIZBNCKVSLSSR-NRFANRHFSA-N 1 3 361.578 2.604 20 0 FFADHO COc1ccc(CC[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)cc1 ZINC001279637910 1043379846 /nfs/dbraw/zinc/37/98/46/1043379846.db2.gz VBLMTUAOHBXCCX-UHFFFAOYSA-N 1 3 354.498 2.949 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc2ccccc2[nH]c1=O ZINC001279652324 1043405028 /nfs/dbraw/zinc/40/50/28/1043405028.db2.gz OGDBWPDZZHVHDO-YQQQUEKLSA-N 1 3 354.498 2.587 20 0 FFADHO Clc1ccncc1CN1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279656298 1043412966 /nfs/dbraw/zinc/41/29/66/1043412966.db2.gz VIGOOAIAVXZQQP-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1ccncc1CN1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279656298 1043412970 /nfs/dbraw/zinc/41/29/70/1043412970.db2.gz VIGOOAIAVXZQQP-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO COc1ccc(Cl)c(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)c1 ZINC001279659267 1043418519 /nfs/dbraw/zinc/41/85/19/1043418519.db2.gz KINDQAAFEJSTKW-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO COc1cccc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)c1Cl ZINC001279695721 1043485072 /nfs/dbraw/zinc/48/50/72/1043485072.db2.gz OMNDPIMRLKXCBM-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1n[nH]c3cc(F)ccc31)C2 ZINC001279702030 1043494975 /nfs/dbraw/zinc/49/49/75/1043494975.db2.gz NCYPKYHRKPWGHH-HXUWFJFHSA-N 1 3 359.493 2.552 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1n[nH]c3cc(F)ccc31)C2 ZINC001279702030 1043494977 /nfs/dbraw/zinc/49/49/77/1043494977.db2.gz NCYPKYHRKPWGHH-HXUWFJFHSA-N 1 3 359.493 2.552 20 0 FFADHO c1cn(CC[N@H+]2CC[C@@]3(C2)CCCN(CCCc2cccnc2)C3)cn1 ZINC001278262748 1043807062 /nfs/dbraw/zinc/80/70/62/1043807062.db2.gz OTZRMHSBGVVWPK-NRFANRHFSA-N 1 3 353.514 2.699 20 0 FFADHO c1cn(CC[N@@H+]2CC[C@@]3(C2)CCCN(CCCc2cccnc2)C3)cn1 ZINC001278262748 1043807084 /nfs/dbraw/zinc/80/70/84/1043807084.db2.gz OTZRMHSBGVVWPK-NRFANRHFSA-N 1 3 353.514 2.699 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1ncc(C(F)(F)F)cc1F)CC2 ZINC001279896341 1043877032 /nfs/dbraw/zinc/87/70/32/1043877032.db2.gz KQIBDICXZMYTQZ-UHFFFAOYSA-N 1 3 374.426 2.699 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@H]2[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)CC1 ZINC001279940624 1043955518 /nfs/dbraw/zinc/95/55/18/1043955518.db2.gz JVZZXJBNEUEQSR-CEQLMSFQSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1CCCCN1C ZINC001312219318 1044071313 /nfs/dbraw/zinc/07/13/13/1044071313.db2.gz OYKSWPSKJBNJQM-IZZBFERCSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H]1CCCCN1C ZINC001312219318 1044071323 /nfs/dbraw/zinc/07/13/23/1044071323.db2.gz OYKSWPSKJBNJQM-IZZBFERCSA-N 1 3 372.557 2.927 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc(C(F)(F)F)c1 ZINC001239216664 1044073898 /nfs/dbraw/zinc/07/38/98/1044073898.db2.gz OUPZCAAHJXWNID-AWEZNQCLSA-N 1 3 356.392 2.701 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC001312251851 1044078187 /nfs/dbraw/zinc/07/81/87/1044078187.db2.gz IEGVBBWXBWSGHE-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001312457438 1044118417 /nfs/dbraw/zinc/11/84/17/1044118417.db2.gz UJLWXCJNPMUZIP-WSTZPKSXSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001312457438 1044118421 /nfs/dbraw/zinc/11/84/21/1044118421.db2.gz UJLWXCJNPMUZIP-WSTZPKSXSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)cc(F)c1F ZINC001278303690 1044175329 /nfs/dbraw/zinc/17/53/29/1044175329.db2.gz CBFXLLFJUUVBDE-VQTJNVASSA-N 1 3 365.468 2.886 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001313422753 1044352430 /nfs/dbraw/zinc/35/24/30/1044352430.db2.gz CCHXDSSXZXXYCQ-PWRODBHTSA-N 1 3 370.541 2.553 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001313422753 1044352442 /nfs/dbraw/zinc/35/24/42/1044352442.db2.gz CCHXDSSXZXXYCQ-PWRODBHTSA-N 1 3 370.541 2.553 20 0 FFADHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@]3(CCCN(C[C@H](C)O)C3)C2)cc1 ZINC001280186796 1044370536 /nfs/dbraw/zinc/37/05/36/1044370536.db2.gz SOBDGQMTZNKYGL-UWJYYQICSA-N 1 3 359.514 2.704 20 0 FFADHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@]3(CCCN(C[C@H](C)O)C3)C2)cc1 ZINC001280186796 1044370553 /nfs/dbraw/zinc/37/05/53/1044370553.db2.gz SOBDGQMTZNKYGL-UWJYYQICSA-N 1 3 359.514 2.704 20 0 FFADHO C[C@H](CN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)c1ccccc1 ZINC001280192910 1044381071 /nfs/dbraw/zinc/38/10/71/1044381071.db2.gz FMLZYGQCASFJEC-XLIONFOSSA-N 1 3 355.526 2.665 20 0 FFADHO O=c1cccc(CN2CCC[C@@]3(CCC[N@H+](CCN4CCCC4)C3)C2)[nH]1 ZINC001280223063 1044417994 /nfs/dbraw/zinc/41/79/94/1044417994.db2.gz HRVMWJRZPAFEQB-OAQYLSRUSA-N 1 3 358.530 2.561 20 0 FFADHO O=c1cccc(CN2CCC[C@@]3(CCC[N@@H+](CCN4CCCC4)C3)C2)[nH]1 ZINC001280223063 1044417997 /nfs/dbraw/zinc/41/79/97/1044417997.db2.gz HRVMWJRZPAFEQB-OAQYLSRUSA-N 1 3 358.530 2.561 20 0 FFADHO Cc1ccc([C@@H](C)CCN2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)o1 ZINC001280232540 1044433967 /nfs/dbraw/zinc/43/39/67/1044433967.db2.gz MIPBLEQMLVWTGI-MAUKXSAKSA-N 1 3 359.514 2.614 20 0 FFADHO CN1CCN(c2cccc(-c3ccc(CN4CC[C@H]([NH3+])C4)cc3)c2)CC1 ZINC001243670782 1044991248 /nfs/dbraw/zinc/99/12/48/1044991248.db2.gz OOODJKGFHMOLRA-NRFANRHFSA-N 1 3 350.510 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CCNCc2cnc(C)o2)CC[N@@H+]1C ZINC001319749421 1045261139 /nfs/dbraw/zinc/26/11/39/1045261139.db2.gz FXBHVLDKWASUKM-NZSAHSFTSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CCNCc2cnc(C)o2)CC[N@H+]1C ZINC001319749421 1045261146 /nfs/dbraw/zinc/26/11/46/1045261146.db2.gz FXBHVLDKWASUKM-NZSAHSFTSA-N 1 3 362.518 2.574 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC001319829015 1045280799 /nfs/dbraw/zinc/28/07/99/1045280799.db2.gz PHPQWGNXBVNVKX-CTNGQTDRSA-N 1 3 356.558 2.745 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC001319829015 1045280804 /nfs/dbraw/zinc/28/08/04/1045280804.db2.gz PHPQWGNXBVNVKX-CTNGQTDRSA-N 1 3 356.558 2.745 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2N2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001319829015 1045280810 /nfs/dbraw/zinc/28/08/10/1045280810.db2.gz PHPQWGNXBVNVKX-CTNGQTDRSA-N 1 3 356.558 2.745 20 0 FFADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccn2C2CC2)cc1 ZINC001324425104 1046021725 /nfs/dbraw/zinc/02/17/25/1046021725.db2.gz OGJWLMOJKCHZFT-UHFFFAOYSA-N 1 3 366.509 2.938 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cc(F)ccc2F)C(C)(C)C)CC[N@@H+]1C ZINC001284592336 1046584917 /nfs/dbraw/zinc/58/49/17/1046584917.db2.gz YPQZAUFGHQZNIL-MZMPZRCHSA-N 1 3 367.484 2.926 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cc(F)ccc2F)C(C)(C)C)CC[N@H+]1C ZINC001284592336 1046584932 /nfs/dbraw/zinc/58/49/32/1046584932.db2.gz YPQZAUFGHQZNIL-MZMPZRCHSA-N 1 3 367.484 2.926 20 0 FFADHO Cc1nn(CCO)c(C)c1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001326200931 1046807869 /nfs/dbraw/zinc/80/78/69/1046807869.db2.gz FXDUBMCBFZXPFN-IRLDBZIGSA-N 1 3 370.541 2.664 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)cc2)CC1 ZINC001326279087 1046845478 /nfs/dbraw/zinc/84/54/78/1046845478.db2.gz IMRILQXERVWCAT-QGZVFWFLSA-N 1 3 358.530 2.793 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](N)C2CCCCC2)cc1 ZINC001326408333 1046919278 /nfs/dbraw/zinc/91/92/78/1046919278.db2.gz JGADKRWSUJIEGE-LJQANCHMSA-N 1 3 374.529 2.604 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331455981 1047948309 /nfs/dbraw/zinc/94/83/09/1047948309.db2.gz RBQWDXZCGCWJQC-YQVWRLOYSA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001331455981 1047948316 /nfs/dbraw/zinc/94/83/16/1047948316.db2.gz RBQWDXZCGCWJQC-YQVWRLOYSA-N 1 3 361.530 2.751 20 0 FFADHO COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCCCC2)N2CCCC2)c1 ZINC001328592377 1048371831 /nfs/dbraw/zinc/37/18/31/1048371831.db2.gz SDDYRRLVHDYFKG-WOJBJXKFSA-N 1 3 359.514 2.856 20 0 FFADHO CCOC(=O)c1cc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001332435958 1048394426 /nfs/dbraw/zinc/39/44/26/1048394426.db2.gz LIGDNNNCEWIQRX-SJLPKXTDSA-N 1 3 370.497 2.977 20 0 FFADHO CCOC(=O)c1cc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC001332435958 1048394442 /nfs/dbraw/zinc/39/44/42/1048394442.db2.gz LIGDNNNCEWIQRX-SJLPKXTDSA-N 1 3 370.497 2.977 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001296043101 1050015276 /nfs/dbraw/zinc/01/52/76/1050015276.db2.gz DVCMQBQQBLIKAY-UWJYYQICSA-N 1 3 355.526 2.888 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@H](CC[NH3+])c3ccccc32)cc(Cl)n1 ZINC001341527843 1050158916 /nfs/dbraw/zinc/15/89/16/1050158916.db2.gz ZSHUELZLAIIJIB-XJKSGUPXSA-N 1 3 358.873 2.913 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)N(C)Cc1ccccc1 ZINC001339784241 1050205543 /nfs/dbraw/zinc/20/55/43/1050205543.db2.gz KEAWKLHSGCOAQP-BVOGOJNSSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H]([NH3+])C1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CCOCC1 ZINC001340056613 1050465399 /nfs/dbraw/zinc/46/53/99/1050465399.db2.gz MUDNXPIFQIVCIQ-AZUAARDMSA-N 1 3 373.541 2.720 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001340164930 1050571147 /nfs/dbraw/zinc/57/11/47/1050571147.db2.gz RBKSZKZUWRZPOG-TWMKSMIVSA-N 1 3 369.431 2.579 20 0 FFADHO [NH3+]CC1(CC(=O)N2C[C@H](C[C@@H]3COCCN3)c3ccccc32)CCCCC1 ZINC001342000457 1050597933 /nfs/dbraw/zinc/59/79/33/1050597933.db2.gz KZQDKXBYWJKQGZ-ZWKOTPCHSA-N 1 3 371.525 2.795 20 0 FFADHO CC[C@H](C)C[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001340222358 1050629902 /nfs/dbraw/zinc/62/99/02/1050629902.db2.gz KBHGUPSQKWBOFN-LNLFQRSKSA-N 1 3 361.530 2.766 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001342111710 1050706988 /nfs/dbraw/zinc/70/69/88/1050706988.db2.gz ATHDMTLKIHIHMM-QHAWAJNXSA-N 1 3 370.541 2.578 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)CCCCC2CC[NH2+]CC2)CC1 ZINC001342338876 1050932600 /nfs/dbraw/zinc/93/26/00/1050932600.db2.gz XXPUQEWVZQYKPI-UHFFFAOYSA-N 1 3 365.562 2.650 20 0 FFADHO C[C@H](CSC(F)(F)F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001542524968 1071248057 /nfs/dbraw/zinc/24/80/57/1071248057.db2.gz BMDNENMVFBHVJN-GFCCVEGCSA-N 1 3 367.481 2.550 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001306200913 1052062147 /nfs/dbraw/zinc/06/21/47/1052062147.db2.gz QZPAYOPVDISWFV-SFHVURJKSA-N 1 3 374.577 2.637 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001306200913 1052062159 /nfs/dbraw/zinc/06/21/59/1052062159.db2.gz QZPAYOPVDISWFV-SFHVURJKSA-N 1 3 374.577 2.637 20 0 FFADHO CC(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001344937234 1052146137 /nfs/dbraw/zinc/14/61/37/1052146137.db2.gz AXIZBODJWAZMJT-QGZVFWFLSA-N 1 3 362.566 2.664 20 0 FFADHO CC(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001344937234 1052146143 /nfs/dbraw/zinc/14/61/43/1052146143.db2.gz AXIZBODJWAZMJT-QGZVFWFLSA-N 1 3 362.566 2.664 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC001542748137 1071293421 /nfs/dbraw/zinc/29/34/21/1071293421.db2.gz MYKRFDHYYOKFEG-LJQANCHMSA-N 1 3 372.557 2.667 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1 ZINC001542748137 1071293429 /nfs/dbraw/zinc/29/34/29/1071293429.db2.gz MYKRFDHYYOKFEG-LJQANCHMSA-N 1 3 372.557 2.667 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)cc(Cl)n1 ZINC001343540427 1052293472 /nfs/dbraw/zinc/29/34/72/1052293472.db2.gz VQPSFSHAPGWKSU-HOTGVXAUSA-N 1 3 364.921 2.801 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cc(Cl)n1 ZINC001345189757 1052310064 /nfs/dbraw/zinc/31/00/64/1052310064.db2.gz AENFCFYCRCDDGY-RHSMWYFYSA-N 1 3 372.900 2.988 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC001343745156 1052399195 /nfs/dbraw/zinc/39/91/95/1052399195.db2.gz ORMAZVHDPLWERE-QGZVFWFLSA-N 1 3 373.888 2.614 20 0 FFADHO Clc1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)ccc1OCCn1ccnc1 ZINC001308328790 1052447146 /nfs/dbraw/zinc/44/71/46/1052447146.db2.gz GCFHCRVTKUCLME-INIZCTEOSA-N 1 3 371.872 2.986 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC001308941320 1052523044 /nfs/dbraw/zinc/52/30/44/1052523044.db2.gz RGOSQSZQBMPOCI-KYDXEYDTSA-N 1 3 358.526 2.702 20 0 FFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCN(C2CCOCC2)CC1 ZINC001335414200 1053347681 /nfs/dbraw/zinc/34/76/81/1053347681.db2.gz VLPCESWHJWWGSK-UHFFFAOYSA-N 1 3 363.477 2.696 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)N(C)C)cc1 ZINC001335569123 1053442450 /nfs/dbraw/zinc/44/24/50/1053442450.db2.gz GGMGCNLZVNWBIB-KYJSFNMBSA-N 1 3 364.559 2.556 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C[C@@H](C)O1 ZINC001336739714 1054183318 /nfs/dbraw/zinc/18/33/18/1054183318.db2.gz QIPSPJJIEDRAFK-ZACQAIPSSA-N 1 3 370.921 2.559 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001352172147 1055242408 /nfs/dbraw/zinc/24/24/08/1055242408.db2.gz VOWBGYRQFRIBAI-IWFBPKFRSA-N 1 3 373.541 2.923 20 0 FFADHO [NH2+]=C(NCCc1ccc(O)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849059443 1055613805 /nfs/dbraw/zinc/61/38/05/1055613805.db2.gz UPIJKXQBWVLFNH-UHFFFAOYSA-N 1 3 352.482 2.713 20 0 FFADHO C[C@](O)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000849093245 1055637918 /nfs/dbraw/zinc/63/79/18/1055637918.db2.gz UDSAFNZOTOAXCO-FQEVSTJZSA-N 1 3 372.538 2.734 20 0 FFADHO COc1ccc([C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2[NH2+]CC=C(C)C)cc1 ZINC001100155063 1055841313 /nfs/dbraw/zinc/84/13/13/1055841313.db2.gz SCMZGWGYAOIBQW-PWRODBHTSA-N 1 3 371.525 2.640 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001338884522 1055901639 /nfs/dbraw/zinc/90/16/39/1055901639.db2.gz CFEJKVOURVZIQM-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)cc1 ZINC001352989397 1055998855 /nfs/dbraw/zinc/99/88/55/1055998855.db2.gz RXNPSOUNVVMCRP-VQTJNVASSA-N 1 3 364.493 2.977 20 0 FFADHO CC(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001358130714 1056154308 /nfs/dbraw/zinc/15/43/08/1056154308.db2.gz VJHJCYLHBBOCNE-UHFFFAOYSA-N 1 3 374.577 2.808 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@H](O)c1ccccn1)c1ccccc1O2 ZINC001353271661 1056249178 /nfs/dbraw/zinc/24/91/78/1056249178.db2.gz CPEJTYJHJOMHQD-MOPGFXCFSA-N 1 3 353.466 2.693 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC001353478447 1056440177 /nfs/dbraw/zinc/44/01/77/1056440177.db2.gz XKMICKHJLHQHMV-ARFHVFGLSA-N 1 3 350.507 2.786 20 0 FFADHO CCN(C(=S)NCCN1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001200430407 1056671133 /nfs/dbraw/zinc/67/11/33/1056671133.db2.gz JTWUMBVVBQYZGL-FQEVSTJZSA-N 1 3 374.598 2.943 20 0 FFADHO CCN(C(=S)NCCN1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001200430407 1056671140 /nfs/dbraw/zinc/67/11/40/1056671140.db2.gz JTWUMBVVBQYZGL-FQEVSTJZSA-N 1 3 374.598 2.943 20 0 FFADHO CN(C)[C@@H]1CCOc2c(NC(=S)NCC[NH+]3CCCCC3)cccc21 ZINC001200432626 1056679639 /nfs/dbraw/zinc/67/96/39/1056679639.db2.gz BTCMPVHUXSKJAH-QGZVFWFLSA-N 1 3 362.543 2.844 20 0 FFADHO Cc1ccc(CNC(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000849104631 1056761714 /nfs/dbraw/zinc/76/17/14/1056761714.db2.gz UAGMGEPRAIUUBU-OAQYLSRUSA-N 1 3 366.509 2.900 20 0 FFADHO [NH2+]=C(NCC1(CO)CC2(CCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849104360 1056762456 /nfs/dbraw/zinc/76/24/56/1056762456.db2.gz LPFOBKKRZLFFGK-UHFFFAOYSA-N 1 3 370.541 2.708 20 0 FFADHO CC1(C)CCC[C@]1(O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849113906 1056767531 /nfs/dbraw/zinc/76/75/31/1056767531.db2.gz NAIREJJNLFKNCN-NRFANRHFSA-N 1 3 358.530 2.706 20 0 FFADHO Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)no1 ZINC000634724905 1056829945 /nfs/dbraw/zinc/82/99/45/1056829945.db2.gz ZVNZIRZBFISUKS-CRAIPNDOSA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000634724905 1056829954 /nfs/dbraw/zinc/82/99/54/1056829954.db2.gz ZVNZIRZBFISUKS-CRAIPNDOSA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000634724905 1056829962 /nfs/dbraw/zinc/82/99/62/1056829962.db2.gz ZVNZIRZBFISUKS-CRAIPNDOSA-N 1 3 356.470 2.669 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCCN1CCCCC1 ZINC001200445823 1058210341 /nfs/dbraw/zinc/21/03/41/1058210341.db2.gz ZVBGIIZLLPFEHP-QUCCMNQESA-N 1 3 374.598 2.847 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCCN1CCCCC1 ZINC001200445823 1058210350 /nfs/dbraw/zinc/21/03/50/1058210350.db2.gz ZVBGIIZLLPFEHP-QUCCMNQESA-N 1 3 374.598 2.847 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001499167706 1058252999 /nfs/dbraw/zinc/25/29/99/1058252999.db2.gz XBWUNYDRVNDWDL-UHFFFAOYSA-N 1 3 374.577 2.637 20 0 FFADHO CCC1(NCc2nc(C)cs2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001502494915 1058866322 /nfs/dbraw/zinc/86/63/22/1058866322.db2.gz SPYQGQJRQPVZSO-HZPDHXFCSA-N 1 3 364.559 2.653 20 0 FFADHO CCC1(NCc2nc(C)cs2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001502494915 1058866347 /nfs/dbraw/zinc/86/63/47/1058866347.db2.gz SPYQGQJRQPVZSO-HZPDHXFCSA-N 1 3 364.559 2.653 20 0 FFADHO CC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001515849994 1059842844 /nfs/dbraw/zinc/84/28/44/1059842844.db2.gz KYQQLAASWSNXHG-KRWDZBQOSA-N 1 3 362.566 2.806 20 0 FFADHO CC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001515849994 1059842866 /nfs/dbraw/zinc/84/28/66/1059842866.db2.gz KYQQLAASWSNXHG-KRWDZBQOSA-N 1 3 362.566 2.806 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000848569153 1060290813 /nfs/dbraw/zinc/29/08/13/1060290813.db2.gz CKZLQPMBDLEUQM-AYWYSENESA-N 1 3 369.509 2.860 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000848569153 1060290829 /nfs/dbraw/zinc/29/08/29/1060290829.db2.gz CKZLQPMBDLEUQM-AYWYSENESA-N 1 3 369.509 2.860 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001547643972 1071981460 /nfs/dbraw/zinc/98/14/60/1071981460.db2.gz BFWQVILDYQLREL-ROUUACIJSA-N 1 3 374.577 2.806 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)C2CC3(C2)C[C@H]([NH3+])CCO3)N2CCCC2)cc1 ZINC001521463717 1060604304 /nfs/dbraw/zinc/60/43/04/1060604304.db2.gz MPAIVHDUKYTLTH-QHCGNWPDSA-N 1 3 371.525 2.535 20 0 FFADHO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001461478147 1061330302 /nfs/dbraw/zinc/33/03/02/1061330302.db2.gz ROVZABXVRGQYDP-UHFFFAOYSA-N 1 3 369.557 2.913 20 0 FFADHO C[NH+]1CCC(CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)CC1 ZINC001461887282 1061438247 /nfs/dbraw/zinc/43/82/47/1061438247.db2.gz USCCLYPRMIQXHM-GOSISDBHSA-N 1 3 355.482 2.969 20 0 FFADHO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)noc1C(C)(C)C ZINC001477014240 1061546127 /nfs/dbraw/zinc/54/61/27/1061546127.db2.gz OHTZQXSHPWWJDM-ZDUSSCGKSA-N 1 3 353.511 2.674 20 0 FFADHO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)noc1C(C)(C)C ZINC001477014240 1061546139 /nfs/dbraw/zinc/54/61/39/1061546139.db2.gz OHTZQXSHPWWJDM-ZDUSSCGKSA-N 1 3 353.511 2.674 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C1CC1 ZINC001477713105 1061782695 /nfs/dbraw/zinc/78/26/95/1061782695.db2.gz CRLJPNDKOBKUOM-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C1CC1 ZINC001477713105 1061782718 /nfs/dbraw/zinc/78/27/18/1061782718.db2.gz CRLJPNDKOBKUOM-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001477798578 1061804225 /nfs/dbraw/zinc/80/42/25/1061804225.db2.gz GPCBOMOBYOUWDW-LEWJYISDSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC001477798578 1061804245 /nfs/dbraw/zinc/80/42/45/1061804245.db2.gz GPCBOMOBYOUWDW-LEWJYISDSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC001479475595 1062449831 /nfs/dbraw/zinc/44/98/31/1062449831.db2.gz HPAIJXJNIVRIQF-IBGZPJMESA-N 1 3 358.530 2.697 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001479475595 1062449837 /nfs/dbraw/zinc/44/98/37/1062449837.db2.gz HPAIJXJNIVRIQF-IBGZPJMESA-N 1 3 358.530 2.697 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001479489614 1062474182 /nfs/dbraw/zinc/47/41/82/1062474182.db2.gz OWHHYQKQELWLJV-YXJHDRRASA-N 1 3 366.937 2.696 20 0 FFADHO CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1OCC ZINC001479542673 1062512675 /nfs/dbraw/zinc/51/26/75/1062512675.db2.gz FUKPOKHITZRGRQ-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCCF)CC[C@@H]1c1ccccc1)[NH+](C)C ZINC001479624093 1062635922 /nfs/dbraw/zinc/63/59/22/1062635922.db2.gz LPIFHZOJHNUBLH-VAMGGRTRSA-N 1 3 363.521 2.907 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729019 1062966395 /nfs/dbraw/zinc/96/63/95/1062966395.db2.gz FILIDLLYNAVBHL-QYZOEREBSA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729019 1062966414 /nfs/dbraw/zinc/96/64/14/1062966414.db2.gz FILIDLLYNAVBHL-QYZOEREBSA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001524913217 1063047185 /nfs/dbraw/zinc/04/71/85/1063047185.db2.gz XKDLKYCYBAGGTP-MOPGFXCFSA-N 1 3 374.577 2.808 20 0 FFADHO CC[C@H](C)[N@H+](C)CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001496161378 1063593307 /nfs/dbraw/zinc/59/33/07/1063593307.db2.gz ZUTBDLXKDYEDEQ-YESZJQIVSA-N 1 3 362.566 2.805 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001496161378 1063593319 /nfs/dbraw/zinc/59/33/19/1063593319.db2.gz ZUTBDLXKDYEDEQ-YESZJQIVSA-N 1 3 362.566 2.805 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001468058355 1063919253 /nfs/dbraw/zinc/91/92/53/1063919253.db2.gz RPFUHKJJXINGKD-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001469710530 1064196730 /nfs/dbraw/zinc/19/67/30/1064196730.db2.gz ZPPYAHKALRMOPD-BJLQDIEVSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001469710530 1064196734 /nfs/dbraw/zinc/19/67/34/1064196734.db2.gz ZPPYAHKALRMOPD-BJLQDIEVSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001470073232 1064252777 /nfs/dbraw/zinc/25/27/77/1064252777.db2.gz NGDVXDMFIOZUSH-VQTJNVASSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001470073232 1064252784 /nfs/dbraw/zinc/25/27/84/1064252784.db2.gz NGDVXDMFIOZUSH-VQTJNVASSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001471044382 1064536056 /nfs/dbraw/zinc/53/60/56/1064536056.db2.gz UYICSHCDGCGUQM-CTNGQTDRSA-N 1 3 374.573 2.984 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001471044382 1064536066 /nfs/dbraw/zinc/53/60/66/1064536066.db2.gz UYICSHCDGCGUQM-CTNGQTDRSA-N 1 3 374.573 2.984 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105588 1064560824 /nfs/dbraw/zinc/56/08/24/1064560824.db2.gz QWBREKNEAGLETI-QHAWAJNXSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105588 1064560835 /nfs/dbraw/zinc/56/08/35/1064560835.db2.gz QWBREKNEAGLETI-QHAWAJNXSA-N 1 3 370.541 2.919 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC001471495296 1064696106 /nfs/dbraw/zinc/69/61/06/1064696106.db2.gz SIRTZXGWILDTSU-HXUWFJFHSA-N 1 3 360.546 2.800 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC001471495296 1064696112 /nfs/dbraw/zinc/69/61/12/1064696112.db2.gz SIRTZXGWILDTSU-HXUWFJFHSA-N 1 3 360.546 2.800 20 0 FFADHO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)[C@H]1C ZINC001473403053 1065257034 /nfs/dbraw/zinc/25/70/34/1065257034.db2.gz PHLVIBDMSVFRTN-ZWKOTPCHSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)[C@H]1C ZINC001473403053 1065257042 /nfs/dbraw/zinc/25/70/42/1065257042.db2.gz PHLVIBDMSVFRTN-ZWKOTPCHSA-N 1 3 358.530 2.887 20 0 FFADHO CO[C@H](CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)[C@@H]1CCOC1 ZINC001473718086 1065330424 /nfs/dbraw/zinc/33/04/24/1065330424.db2.gz DWJZAUPHLKYVOU-CZYKHXBRSA-N 1 3 358.526 2.882 20 0 FFADHO CN(C)Cc1ccc(C[N@H+](C)CCc2cnccn2)c2c1OC(F)(F)O2 ZINC001474434582 1065520463 /nfs/dbraw/zinc/52/04/63/1065520463.db2.gz CSGFATDPNSHVIU-UHFFFAOYSA-N 1 3 364.396 2.534 20 0 FFADHO CN(C)Cc1ccc(C[N@@H+](C)CCc2cnccn2)c2c1OC(F)(F)O2 ZINC001474434582 1065520472 /nfs/dbraw/zinc/52/04/72/1065520472.db2.gz CSGFATDPNSHVIU-UHFFFAOYSA-N 1 3 364.396 2.534 20 0 FFADHO C[C@H]1CC[NH2+]CC[C@@H]1Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001576753140 1078271086 /nfs/dbraw/zinc/27/10/86/1078271086.db2.gz KXHRTNPNIGLFQQ-LPHOPBHVSA-N 1 3 353.514 2.787 20 0 FFADHO CCC[C@H](C)CN(C)c1nnc([C@H]2CCC[NH2+]C2)n1CCN1CC=CCC1 ZINC001577340845 1078339955 /nfs/dbraw/zinc/33/99/55/1078339955.db2.gz LDLYKLCMLBGNKF-OALUTQOASA-N 1 3 374.577 2.879 20 0 FFADHO CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001577657280 1078385295 /nfs/dbraw/zinc/38/52/95/1078385295.db2.gz DQWUXBCJSKZCEG-WMZOPIPTSA-N 1 3 374.508 2.643 20 0 FFADHO CCN(CC)[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@H]([NH3+])C1)c1ccco1 ZINC001577684897 1078387751 /nfs/dbraw/zinc/38/77/51/1078387751.db2.gz OJOWNQHLZSEBPZ-IAGOWNOFSA-N 1 3 372.517 2.759 20 0 FFADHO CC[NH2+]CCn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001577861612 1078409025 /nfs/dbraw/zinc/40/90/25/1078409025.db2.gz XOGAOSBJRMGLNG-UHFFFAOYSA-N 1 3 350.555 2.569 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001578271362 1078457616 /nfs/dbraw/zinc/45/76/16/1078457616.db2.gz BIHYGQGDECEFND-FQEVSTJZSA-N 1 3 358.530 2.909 20 0 FFADHO COc1ccc(NC(=O)CC[N@@H+]2CCNCCC23CCC3)cc1Cl ZINC001579226496 1078594606 /nfs/dbraw/zinc/59/46/06/1078594606.db2.gz UPFMXQJNTLOSON-UHFFFAOYSA-N 1 3 351.878 2.895 20 0 FFADHO COc1ccc(NC(=O)CC[N@H+]2CCNCCC23CCC3)cc1Cl ZINC001579226496 1078594610 /nfs/dbraw/zinc/59/46/10/1078594610.db2.gz UPFMXQJNTLOSON-UHFFFAOYSA-N 1 3 351.878 2.895 20 0 FFADHO Fc1ccc([C@H]2CCNC[C@H]2C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC001580033574 1078734404 /nfs/dbraw/zinc/73/44/04/1078734404.db2.gz RVPZTBUEJSOHIY-FXAWDEMLSA-N 1 3 369.488 2.567 20 0 FFADHO [NH3+]CCC[C@@H](NCC(=O)Nc1cccc2nsnc21)c1ccccc1 ZINC001580289863 1078781688 /nfs/dbraw/zinc/78/16/88/1078781688.db2.gz UMVFTYUXCTWQIF-CQSZACIVSA-N 1 3 355.467 2.700 20 0 FFADHO C[C@H]1[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001549600427 1073935204 /nfs/dbraw/zinc/93/52/04/1073935204.db2.gz RTDHBIHCTBUGJV-DOMZBBRYSA-N 1 3 366.893 2.685 20 0 FFADHO COc1ccc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(Cl)c1 ZINC001550423532 1074262077 /nfs/dbraw/zinc/26/20/77/1074262077.db2.gz OIZBFGBHEFIWMZ-HCXYKTFWSA-N 1 3 352.906 2.918 20 0 FFADHO COc1ccc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(Cl)c1 ZINC001550423532 1074262079 /nfs/dbraw/zinc/26/20/79/1074262079.db2.gz OIZBFGBHEFIWMZ-HCXYKTFWSA-N 1 3 352.906 2.918 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cccc(OC)c3F)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423775 1074263088 /nfs/dbraw/zinc/26/30/88/1074263088.db2.gz RNZSOLXAUMODEN-LPWQTFTOSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cccc(OC)c3F)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423775 1074263093 /nfs/dbraw/zinc/26/30/93/1074263093.db2.gz RNZSOLXAUMODEN-LPWQTFTOSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc(OC)ccc3F)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424152 1074263828 /nfs/dbraw/zinc/26/38/28/1074263828.db2.gz YPNUGCTZQIFEIV-FYQPLNBISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc(OC)ccc3F)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424152 1074263833 /nfs/dbraw/zinc/26/38/33/1074263833.db2.gz YPNUGCTZQIFEIV-FYQPLNBISA-N 1 3 350.478 2.794 20 0 FFADHO CC1(N2CCOCC2)CCC(NC(=O)Nc2ccc([C@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC001550705870 1074442446 /nfs/dbraw/zinc/44/24/46/1074442446.db2.gz KJIFFUGDTIBYBW-LSNYBQGISA-N 1 3 372.513 2.656 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC001551574181 1074759607 /nfs/dbraw/zinc/75/96/07/1074759607.db2.gz YVDZLSYXCOUYPG-DOLPWQRDSA-N 1 3 370.541 2.810 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001552154904 1075005161 /nfs/dbraw/zinc/00/51/61/1075005161.db2.gz BLQNLGUXFBKLFS-UIFIKXQLSA-N 1 3 355.526 2.745 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC001552395651 1075072251 /nfs/dbraw/zinc/07/22/51/1075072251.db2.gz FFPORFITZWDYAQ-FFZOFVMBSA-N 1 3 371.431 2.761 20 0 FFADHO O=C(NC[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cccc2c1CNC2 ZINC001552430836 1075074464 /nfs/dbraw/zinc/07/44/64/1075074464.db2.gz WLWBKWZPXHKCTI-WMZOPIPTSA-N 1 3 353.441 2.552 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001553309048 1075279788 /nfs/dbraw/zinc/27/97/88/1075279788.db2.gz PBLKVRJKADAWFQ-MJGOQNOKSA-N 1 3 354.454 2.503 20 0 FFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cnc([C@@H]2CCCN2)nc1 ZINC001553369828 1075293738 /nfs/dbraw/zinc/29/37/38/1075293738.db2.gz RSXUXRRJZRCCPO-SFHVURJKSA-N 1 3 371.529 2.820 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553421720 1075303876 /nfs/dbraw/zinc/30/38/76/1075303876.db2.gz WUMLMZJIJUWTEQ-BRWVUGGUSA-N 1 3 362.543 2.669 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@]([NH3+])(c3ccccc3)C2)s1 ZINC001553558401 1075330568 /nfs/dbraw/zinc/33/05/68/1075330568.db2.gz TXULGZIVNXQWKH-LJQANCHMSA-N 1 3 358.511 2.579 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001556098204 1075700360 /nfs/dbraw/zinc/70/03/60/1075700360.db2.gz JEXIAAILHVNUMV-WIYYLYMNSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC001556737379 1075770570 /nfs/dbraw/zinc/77/05/70/1075770570.db2.gz CDYODCUZGCPMGY-YSFYHYPLSA-N 1 3 369.553 2.943 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC001556737379 1075770572 /nfs/dbraw/zinc/77/05/72/1075770572.db2.gz CDYODCUZGCPMGY-YSFYHYPLSA-N 1 3 369.553 2.943 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC001558132259 1075948331 /nfs/dbraw/zinc/94/83/31/1075948331.db2.gz PIFODFVEPKXGTB-RXVVDRJESA-N 1 3 364.493 2.783 20 0 FFADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc(OC)c1 ZINC001560436344 1076273195 /nfs/dbraw/zinc/27/31/95/1076273195.db2.gz BVCDHURVQLJOEW-LJQANCHMSA-N 1 3 356.466 2.560 20 0 FFADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc(OC)c1 ZINC001560436344 1076273198 /nfs/dbraw/zinc/27/31/98/1076273198.db2.gz BVCDHURVQLJOEW-LJQANCHMSA-N 1 3 356.466 2.560 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)[NH+]3CCCCC3)C2)cc1 ZINC001563704986 1076576594 /nfs/dbraw/zinc/57/65/94/1076576594.db2.gz NJWXTAZWWFRIMY-ICSRJNTNSA-N 1 3 358.530 2.743 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)C2)cc1 ZINC001565244942 1076702987 /nfs/dbraw/zinc/70/29/87/1076702987.db2.gz OVDTZUCFEBVBGM-ACRUOGEOSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)C2)cc1 ZINC001565244942 1076702991 /nfs/dbraw/zinc/70/29/91/1076702991.db2.gz OVDTZUCFEBVBGM-ACRUOGEOSA-N 1 3 370.541 2.695 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC001565434604 1076729312 /nfs/dbraw/zinc/72/93/12/1076729312.db2.gz MRRVTKWQHDZRJG-HXUWFJFHSA-N 1 3 360.546 2.677 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCc3sc(CNCC(C)C)nc3C2)CC[N@@H+]1C ZINC001566125296 1076922579 /nfs/dbraw/zinc/92/25/79/1076922579.db2.gz CSLQAXHNXFUTSS-GOEBONIOSA-N 1 3 364.559 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCc3sc(CNCC(C)C)nc3C2)CC[N@H+]1C ZINC001566125296 1076922580 /nfs/dbraw/zinc/92/25/80/1076922580.db2.gz CSLQAXHNXFUTSS-GOEBONIOSA-N 1 3 364.559 2.504 20 0 FFADHO C[N@H+](CC(=O)N1CCN(c2ccnc3ccccc32)CC1)CC(C)(C)C ZINC001568942027 1077120032 /nfs/dbraw/zinc/12/00/32/1077120032.db2.gz FSSGNLRHTHHZGH-UHFFFAOYSA-N 1 3 354.498 2.861 20 0 FFADHO C[N@@H+](CC(=O)N1CCN(c2ccnc3ccccc32)CC1)CC(C)(C)C ZINC001568942027 1077120034 /nfs/dbraw/zinc/12/00/34/1077120034.db2.gz FSSGNLRHTHHZGH-UHFFFAOYSA-N 1 3 354.498 2.861 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001585956712 1079517538 /nfs/dbraw/zinc/51/75/38/1079517538.db2.gz AOAIHSVBJVBARY-GOSISDBHSA-N 1 3 367.603 2.975 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001585956712 1079517545 /nfs/dbraw/zinc/51/75/45/1079517545.db2.gz AOAIHSVBJVBARY-GOSISDBHSA-N 1 3 367.603 2.975 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001585956712 1079517550 /nfs/dbraw/zinc/51/75/50/1079517550.db2.gz AOAIHSVBJVBARY-GOSISDBHSA-N 1 3 367.603 2.975 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCC[C@H]1C ZINC000414061207 513960045 /nfs/dbraw/zinc/96/00/45/513960045.db2.gz KFLJZUZMWNREEJ-LSDHHAIUSA-N 1 3 370.335 2.853 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(OC)c1OC ZINC000062253080 249612094 /nfs/dbraw/zinc/61/20/94/249612094.db2.gz GKINSBNWWILVSW-HOTGVXAUSA-N 1 3 366.502 2.691 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000093135408 250018494 /nfs/dbraw/zinc/01/84/94/250018494.db2.gz CKDXBACDBVAHCR-SFHVURJKSA-N 1 3 373.545 2.718 20 0 FFADHO COCCOc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735167 250042759 /nfs/dbraw/zinc/04/27/59/250042759.db2.gz OAZDWZRODLQMFH-UHFFFAOYSA-N 1 3 362.514 2.789 20 0 FFADHO C[C@@H]1CCC[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000101994357 250097351 /nfs/dbraw/zinc/09/73/51/250097351.db2.gz XZFDSHPSMPPLEB-IAGOWNOFSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000105112556 250199603 /nfs/dbraw/zinc/19/96/03/250199603.db2.gz TXSJXJQOSJJTHW-UHFFFAOYSA-N 1 3 358.530 2.600 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(Cc2cccs2)CC1)[N@H+](C)C1CC1 ZINC000105208189 250203869 /nfs/dbraw/zinc/20/38/69/250203869.db2.gz HEJSVSSKAOUNII-HNNXBMFYSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(Cc2cccs2)CC1)[N@@H+](C)C1CC1 ZINC000105208189 250203874 /nfs/dbraw/zinc/20/38/74/250203874.db2.gz HEJSVSSKAOUNII-HNNXBMFYSA-N 1 3 364.559 2.742 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000105208182 250204213 /nfs/dbraw/zinc/20/42/13/250204213.db2.gz AWABISDWJJNAAJ-KRWDZBQOSA-N 1 3 364.559 2.696 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)N(C)C)cc1 ZINC000153509777 251146347 /nfs/dbraw/zinc/14/63/47/251146347.db2.gz PHGIFNVGSIUEPB-LEWJYISDSA-N 1 3 373.541 2.611 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)N(C)C)cc1 ZINC000153509777 251146351 /nfs/dbraw/zinc/14/63/51/251146351.db2.gz PHGIFNVGSIUEPB-LEWJYISDSA-N 1 3 373.541 2.611 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000251881505 251304697 /nfs/dbraw/zinc/30/46/97/251304697.db2.gz VBYPEHCVIOWIKR-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268784186 251384087 /nfs/dbraw/zinc/38/40/87/251384087.db2.gz AMNPDPYJVDJMLM-JTHBVZDNSA-N 1 3 372.601 2.904 20 0 FFADHO CCC[C@](C)(N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000272412567 252032285 /nfs/dbraw/zinc/03/22/85/252032285.db2.gz FXOWLLHEFOCKQG-IBGZPJMESA-N 1 3 350.482 2.812 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000272454242 252043061 /nfs/dbraw/zinc/04/30/61/252043061.db2.gz NCVHSOUCWVMXFQ-SFTDATJTSA-N 1 3 370.541 2.634 20 0 FFADHO CNC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000272575954 252071989 /nfs/dbraw/zinc/07/19/89/252071989.db2.gz PRXKFIWBDULJJT-YCHQTSKFSA-N 1 3 355.526 2.791 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272501822 252055472 /nfs/dbraw/zinc/05/54/72/252055472.db2.gz VTQHTZHAOPIZMF-PMACEKPBSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272562396 252069097 /nfs/dbraw/zinc/06/90/97/252069097.db2.gz GWJMIXOFKNYPLY-ICSRJNTNSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272638637 252087863 /nfs/dbraw/zinc/08/78/63/252087863.db2.gz AVRQTSRYQQBHIQ-QGZVFWFLSA-N 1 3 358.530 2.976 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272638637 252087867 /nfs/dbraw/zinc/08/78/67/252087867.db2.gz AVRQTSRYQQBHIQ-QGZVFWFLSA-N 1 3 358.530 2.976 20 0 FFADHO C[C@H](CCNC(=O)N[C@H](C)C1=CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000272889748 252157521 /nfs/dbraw/zinc/15/75/21/252157521.db2.gz ZBXGUNUWMPUKJH-QZTJIDSGSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@H](CCNC(=O)N[C@H](C)C1=CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000272889748 252157526 /nfs/dbraw/zinc/15/75/26/252157526.db2.gz ZBXGUNUWMPUKJH-QZTJIDSGSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000285742910 257002387 /nfs/dbraw/zinc/00/23/87/257002387.db2.gz RLXSRKUOCOWQRL-MRXNPFEDSA-N 1 3 368.543 2.635 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000276272481 256085732 /nfs/dbraw/zinc/08/57/32/256085732.db2.gz SIGMPURQMJDIPR-ROUUACIJSA-N 1 3 358.530 2.842 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000276272481 256085733 /nfs/dbraw/zinc/08/57/33/256085733.db2.gz SIGMPURQMJDIPR-ROUUACIJSA-N 1 3 358.530 2.842 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000278350410 256302716 /nfs/dbraw/zinc/30/27/16/256302716.db2.gz ATJVGQDGZGQQBW-SJORKVTESA-N 1 3 361.486 2.795 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000278350410 256302718 /nfs/dbraw/zinc/30/27/18/256302718.db2.gz ATJVGQDGZGQQBW-SJORKVTESA-N 1 3 361.486 2.795 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000286236545 257027072 /nfs/dbraw/zinc/02/70/72/257027072.db2.gz UPTZGFWIZJQKIG-FQEVSTJZSA-N 1 3 355.482 2.790 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000286755406 257053519 /nfs/dbraw/zinc/05/35/19/257053519.db2.gz FNJPKXVNAOGRCW-HJNYFJLDSA-N 1 3 357.542 2.836 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000288152697 257152724 /nfs/dbraw/zinc/15/27/24/257152724.db2.gz OFRYRVLZWSYLRR-YLJYHZDGSA-N 1 3 358.530 2.821 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000289298430 257272716 /nfs/dbraw/zinc/27/27/16/257272716.db2.gz BAPQMUVHAMDZNH-SJLPKXTDSA-N 1 3 368.525 2.788 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000289298430 257272717 /nfs/dbraw/zinc/27/27/17/257272717.db2.gz BAPQMUVHAMDZNH-SJLPKXTDSA-N 1 3 368.525 2.788 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000289298430 257272718 /nfs/dbraw/zinc/27/27/18/257272718.db2.gz BAPQMUVHAMDZNH-SJLPKXTDSA-N 1 3 368.525 2.788 20 0 FFADHO COc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccc1C ZINC000289840471 257302407 /nfs/dbraw/zinc/30/24/07/257302407.db2.gz PHKREDPZCABYCC-UHFFFAOYSA-N 1 3 373.541 2.818 20 0 FFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)nc1 ZINC000290828932 257359851 /nfs/dbraw/zinc/35/98/51/257359851.db2.gz XOPVAUXELYVIEE-CYBMUJFWSA-N 1 3 355.324 2.521 20 0 FFADHO CC1CC[NH+](CCC[C@H](NCCOCCO)c2ccc(F)cc2)CC1 ZINC000291224569 257392451 /nfs/dbraw/zinc/39/24/51/257392451.db2.gz NROVWFGFEHUUGB-FQEVSTJZSA-N 1 3 352.494 2.977 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000065468706 506305411 /nfs/dbraw/zinc/30/54/11/506305411.db2.gz UYGPAQHJULYTOB-PMACEKPBSA-N 1 3 358.530 2.868 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000066176136 506435967 /nfs/dbraw/zinc/43/59/67/506435967.db2.gz ARNKVXRIUGGNQX-FQEVSTJZSA-N 1 3 356.514 2.662 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000054510320 506570529 /nfs/dbraw/zinc/57/05/29/506570529.db2.gz ZFGQLTMPBZPQAT-QUCCMNQESA-N 1 3 360.546 2.883 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000054510320 506570538 /nfs/dbraw/zinc/57/05/38/506570538.db2.gz ZFGQLTMPBZPQAT-QUCCMNQESA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000057043001 507157574 /nfs/dbraw/zinc/15/75/74/507157574.db2.gz CNZXDJQCVAAZME-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO Cc1[nH]c2ccccc2c1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799611 507714434 /nfs/dbraw/zinc/71/44/34/507714434.db2.gz HHICVOREIOMYJO-UHFFFAOYSA-N 1 3 368.525 2.694 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000367151326 512360636 /nfs/dbraw/zinc/36/06/36/512360636.db2.gz OJBDRCSDGIWGNZ-SFHVURJKSA-N 1 3 365.468 2.602 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CCCN(C)C2)c2ccccc2)CC1 ZINC000052582046 507814612 /nfs/dbraw/zinc/81/46/12/507814612.db2.gz HCMNNQRFQVZRLW-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000108297152 507885027 /nfs/dbraw/zinc/88/50/27/507885027.db2.gz AITICHWJJYFMCF-LJQANCHMSA-N 1 3 359.514 2.621 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000090038772 507903675 /nfs/dbraw/zinc/90/36/75/507903675.db2.gz BZSCVWMPPNIUNB-QGZVFWFLSA-N 1 3 369.509 2.707 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000090458155 507920588 /nfs/dbraw/zinc/92/05/88/507920588.db2.gz JKGHDBDAONGWIW-ORIJERBGSA-N 1 3 371.319 2.507 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000090458155 507920590 /nfs/dbraw/zinc/92/05/90/507920590.db2.gz JKGHDBDAONGWIW-ORIJERBGSA-N 1 3 371.319 2.507 20 0 FFADHO CN(Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377634629 512368087 /nfs/dbraw/zinc/36/80/87/512368087.db2.gz XWYSJIYRBXLPCB-GOSISDBHSA-N 1 3 373.570 2.749 20 0 FFADHO CN(Cc1ccc(-c2cnn(C)c2)s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377634629 512368089 /nfs/dbraw/zinc/36/80/89/512368089.db2.gz XWYSJIYRBXLPCB-GOSISDBHSA-N 1 3 373.570 2.749 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000073491330 507924455 /nfs/dbraw/zinc/92/44/55/507924455.db2.gz DRXKQPUAHOSILN-FQEVSTJZSA-N 1 3 360.546 2.581 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000073496437 507925638 /nfs/dbraw/zinc/92/56/38/507925638.db2.gz JVDWLTUEQQJHDT-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000073496437 507925639 /nfs/dbraw/zinc/92/56/39/507925639.db2.gz JVDWLTUEQQJHDT-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)Cn2cc(Br)cn2)C1 ZINC000090586006 507929421 /nfs/dbraw/zinc/92/94/21/507929421.db2.gz AGNSESBBQGEVGJ-GJZGRUSLSA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)Cn2cc(Br)cn2)C1 ZINC000090586006 507929424 /nfs/dbraw/zinc/92/94/24/507929424.db2.gz AGNSESBBQGEVGJ-GJZGRUSLSA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)C1 ZINC000090586006 507929426 /nfs/dbraw/zinc/92/94/26/507929426.db2.gz AGNSESBBQGEVGJ-GJZGRUSLSA-N 1 3 357.340 2.992 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000079167156 507939847 /nfs/dbraw/zinc/93/98/47/507939847.db2.gz XFENGUMOURWIET-LJQANCHMSA-N 1 3 372.557 2.867 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000079223166 507946086 /nfs/dbraw/zinc/94/60/86/507946086.db2.gz JHHHEAFMUSGHFD-AQNXPRMDSA-N 1 3 358.530 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000079223166 507946089 /nfs/dbraw/zinc/94/60/89/507946089.db2.gz JHHHEAFMUSGHFD-AQNXPRMDSA-N 1 3 358.530 2.778 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000079310602 507952417 /nfs/dbraw/zinc/95/24/17/507952417.db2.gz ZCUSZUSSBZOFEW-XLIONFOSSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000079310602 507952418 /nfs/dbraw/zinc/95/24/18/507952418.db2.gz ZCUSZUSSBZOFEW-XLIONFOSSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000079393769 507957397 /nfs/dbraw/zinc/95/73/97/507957397.db2.gz RJVHNSRETIWRCD-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000079393769 507957400 /nfs/dbraw/zinc/95/74/00/507957400.db2.gz RJVHNSRETIWRCD-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000079570936 507977556 /nfs/dbraw/zinc/97/75/56/507977556.db2.gz ZMRMEQRZHRDPFG-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000074168667 507994412 /nfs/dbraw/zinc/99/44/12/507994412.db2.gz CDLZAYCSLHTMGP-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000074168667 507994414 /nfs/dbraw/zinc/99/44/14/507994414.db2.gz CDLZAYCSLHTMGP-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000079735037 507997125 /nfs/dbraw/zinc/99/71/25/507997125.db2.gz SOBVFUANLGGMTD-SFTDATJTSA-N 1 3 368.525 2.761 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H]1c1cccs1 ZINC000074266991 508003560 /nfs/dbraw/zinc/00/35/60/508003560.db2.gz RUJQUHPHPWUNCV-IIDMSEBBSA-N 1 3 362.543 2.667 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H]1c1cccs1 ZINC000074266991 508003563 /nfs/dbraw/zinc/00/35/63/508003563.db2.gz RUJQUHPHPWUNCV-IIDMSEBBSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000074266836 508003869 /nfs/dbraw/zinc/00/38/69/508003869.db2.gz RBDRPNSFWANKOP-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000074266836 508003871 /nfs/dbraw/zinc/00/38/71/508003871.db2.gz RBDRPNSFWANKOP-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]1CN1CCOCC1 ZINC000092218259 508050505 /nfs/dbraw/zinc/05/05/05/508050505.db2.gz RHLHEQVXYCKFHR-NRFANRHFSA-N 1 3 359.558 2.941 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]1CN1CCOCC1 ZINC000092218259 508050508 /nfs/dbraw/zinc/05/05/08/508050508.db2.gz RHLHEQVXYCKFHR-NRFANRHFSA-N 1 3 359.558 2.941 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074833099 508059422 /nfs/dbraw/zinc/05/94/22/508059422.db2.gz IMWLVTAVEYUVNY-SFTDATJTSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074833099 508059424 /nfs/dbraw/zinc/05/94/24/508059424.db2.gz IMWLVTAVEYUVNY-SFTDATJTSA-N 1 3 372.557 2.533 20 0 FFADHO CC[NH+](CC)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000111117586 508072015 /nfs/dbraw/zinc/07/20/15/508072015.db2.gz VYYJYPHSOQDUGM-SFHVURJKSA-N 1 3 371.447 2.899 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)C[C@H](C)O1 ZINC000092587476 508084379 /nfs/dbraw/zinc/08/43/79/508084379.db2.gz DTHRQGANIIFTNS-ROUUACIJSA-N 1 3 369.513 2.589 20 0 FFADHO CCc1nn(C)c(CC)c1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587618 508085025 /nfs/dbraw/zinc/08/50/25/508085025.db2.gz NXWAGLITLKQTIK-IRXDYDNUSA-N 1 3 362.562 2.866 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(n3ccnc3)CC2)CC1 ZINC000092648836 508089454 /nfs/dbraw/zinc/08/94/54/508089454.db2.gz MTISVEBOHHACEO-UHFFFAOYSA-N 1 3 353.514 2.862 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000075314608 508096506 /nfs/dbraw/zinc/09/65/06/508096506.db2.gz ZODSKFUYBXJBEL-DXTJYYCRSA-N 1 3 362.562 2.908 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000075314608 508096510 /nfs/dbraw/zinc/09/65/10/508096510.db2.gz ZODSKFUYBXJBEL-DXTJYYCRSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093348777 508140818 /nfs/dbraw/zinc/14/08/18/508140818.db2.gz FYLMAEAXCGUNLT-GOSISDBHSA-N 1 3 373.545 2.862 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093348777 508140821 /nfs/dbraw/zinc/14/08/21/508140821.db2.gz FYLMAEAXCGUNLT-GOSISDBHSA-N 1 3 373.545 2.862 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000096965943 508216734 /nfs/dbraw/zinc/21/67/34/508216734.db2.gz RFFDWGSZWILWDQ-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000096965943 508216736 /nfs/dbraw/zinc/21/67/36/508216736.db2.gz RFFDWGSZWILWDQ-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)N(C)C ZINC000113235412 508253824 /nfs/dbraw/zinc/25/38/24/508253824.db2.gz OXFAMVGTXHGJSH-HKUYNNGSSA-N 1 3 361.530 2.589 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000085392179 508305597 /nfs/dbraw/zinc/30/55/97/508305597.db2.gz PVEQMXNXBLNVEH-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000085392179 508305599 /nfs/dbraw/zinc/30/55/99/508305599.db2.gz PVEQMXNXBLNVEH-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000103313714 508306618 /nfs/dbraw/zinc/30/66/18/508306618.db2.gz XHCIJJMRPCOOBZ-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OCCC(C)C ZINC000077450473 508317922 /nfs/dbraw/zinc/31/79/22/508317922.db2.gz DNWPSNGKSQVUIQ-UHFFFAOYSA-N 1 3 350.503 2.666 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000105083599 508359583 /nfs/dbraw/zinc/35/95/83/508359583.db2.gz NSBTUGSDSCVABG-INIZCTEOSA-N 1 3 350.532 2.526 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000105075374 508359809 /nfs/dbraw/zinc/35/98/09/508359809.db2.gz SQKZJXUSQFCSLG-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[N@H+](C)C1CC1 ZINC000105264703 508367872 /nfs/dbraw/zinc/36/78/72/508367872.db2.gz UIRITHMXCJVGEW-CQSZACIVSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[N@@H+](C)C1CC1 ZINC000105264703 508367874 /nfs/dbraw/zinc/36/78/74/508367874.db2.gz UIRITHMXCJVGEW-CQSZACIVSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000088507863 508374151 /nfs/dbraw/zinc/37/41/51/508374151.db2.gz JGVCGCDDMPYESS-KRWDZBQOSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000088507863 508374154 /nfs/dbraw/zinc/37/41/54/508374154.db2.gz JGVCGCDDMPYESS-KRWDZBQOSA-N 1 3 364.534 2.863 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000115762123 508434127 /nfs/dbraw/zinc/43/41/27/508434127.db2.gz UWFFICDGXPAONN-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC(C)CC3)CC2)C1 ZINC000115762123 508434131 /nfs/dbraw/zinc/43/41/31/508434131.db2.gz UWFFICDGXPAONN-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000115797961 508439228 /nfs/dbraw/zinc/43/92/28/508439228.db2.gz GHSXLEAWPPQOSM-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000115797961 508439229 /nfs/dbraw/zinc/43/92/29/508439229.db2.gz GHSXLEAWPPQOSM-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO C[C@@H]1Cc2ccccc2N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127473568 508456014 /nfs/dbraw/zinc/45/60/14/508456014.db2.gz HABZNFBDDOBAMC-MRXNPFEDSA-N 1 3 356.514 2.706 20 0 FFADHO C[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000152716390 508500311 /nfs/dbraw/zinc/50/03/11/508500311.db2.gz YKYAZLULMFFENT-RXVVDRJESA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000116548625 508528184 /nfs/dbraw/zinc/52/81/84/508528184.db2.gz JXZUJAPALDXLCV-ZWKOTPCHSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000116548625 508528188 /nfs/dbraw/zinc/52/81/88/508528188.db2.gz JXZUJAPALDXLCV-ZWKOTPCHSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000122654022 508567691 /nfs/dbraw/zinc/56/76/91/508567691.db2.gz CSRGDBADKHCCGA-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@H](C)C1 ZINC000128557499 508611270 /nfs/dbraw/zinc/61/12/70/508611270.db2.gz QHPJMIAVBODNAE-HOJAQTOUSA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@H](C)C1 ZINC000128557499 508611273 /nfs/dbraw/zinc/61/12/73/508611273.db2.gz QHPJMIAVBODNAE-HOJAQTOUSA-N 1 3 360.546 2.531 20 0 FFADHO CCOC(=O)CCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000117877750 508622320 /nfs/dbraw/zinc/62/23/20/508622320.db2.gz YBZPKCAFZHPVFT-QZTJIDSGSA-N 1 3 354.535 2.931 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000153698991 508628691 /nfs/dbraw/zinc/62/86/91/508628691.db2.gz KSFXPYQATSATSL-OAQYLSRUSA-N 1 3 373.541 2.788 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000157896158 508629056 /nfs/dbraw/zinc/62/90/56/508629056.db2.gz NSNQGNJONNVRFW-SJORKVTESA-N 1 3 367.559 2.900 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000157896158 508629057 /nfs/dbraw/zinc/62/90/57/508629057.db2.gz NSNQGNJONNVRFW-SJORKVTESA-N 1 3 367.559 2.900 20 0 FFADHO C[C@@H](C1CC1)n1nccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000123209231 508652593 /nfs/dbraw/zinc/65/25/93/508652593.db2.gz JDHGOQYFUIHBHS-HNNXBMFYSA-N 1 3 374.533 2.534 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000158205197 508671177 /nfs/dbraw/zinc/67/11/77/508671177.db2.gz WAICGJOOHKEOJR-QGZVFWFLSA-N 1 3 367.559 2.757 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123469320 508691742 /nfs/dbraw/zinc/69/17/42/508691742.db2.gz VUSIIHIXYHTYNM-KRWDZBQOSA-N 1 3 363.521 2.927 20 0 FFADHO C[C@H](C(=O)NCCc1cccs1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123546174 508703605 /nfs/dbraw/zinc/70/36/05/508703605.db2.gz JLAXZFOKXXIXBC-MRXNPFEDSA-N 1 3 351.560 2.849 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000119018691 508707206 /nfs/dbraw/zinc/70/72/06/508707206.db2.gz WNQAGNJGSWIUQL-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CCn1cccn1)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000158706486 508742601 /nfs/dbraw/zinc/74/26/01/508742601.db2.gz VXVLMLKMQIPLHA-HXUWFJFHSA-N 1 3 355.530 2.854 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000123859521 508749393 /nfs/dbraw/zinc/74/93/93/508749393.db2.gz AUAYXZKDRWWKJK-HKUYNNGSSA-N 1 3 361.505 2.886 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000129786793 508766240 /nfs/dbraw/zinc/76/62/40/508766240.db2.gz NMDHUHMDEHUJGT-QGZVFWFLSA-N 1 3 364.559 2.553 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000154353040 508766732 /nfs/dbraw/zinc/76/67/32/508766732.db2.gz PGPLSHXTGMFBNW-QGZVFWFLSA-N 1 3 373.545 2.649 20 0 FFADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000123988287 508767927 /nfs/dbraw/zinc/76/79/27/508767927.db2.gz SGKBWHUIUFJVTD-MRXNPFEDSA-N 1 3 350.470 2.965 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000123988287 508767932 /nfs/dbraw/zinc/76/79/32/508767932.db2.gz SGKBWHUIUFJVTD-MRXNPFEDSA-N 1 3 350.470 2.965 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000138191695 508769990 /nfs/dbraw/zinc/76/99/90/508769990.db2.gz ZBXDYRIQSUROMN-RCCFBDPRSA-N 1 3 369.550 2.722 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1F ZINC000129857155 508774163 /nfs/dbraw/zinc/77/41/63/508774163.db2.gz IHJLSSXDIPSDQS-OAHLLOKOSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1F ZINC000129857155 508774164 /nfs/dbraw/zinc/77/41/64/508774164.db2.gz IHJLSSXDIPSDQS-OAHLLOKOSA-N 1 3 354.445 2.845 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000154454549 508788085 /nfs/dbraw/zinc/78/80/85/508788085.db2.gz VDYLVKJWDKULHV-HXUWFJFHSA-N 1 3 361.530 2.916 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)N(C)Cc1ccccc1 ZINC000139900756 508796663 /nfs/dbraw/zinc/79/66/63/508796663.db2.gz MYRZPSYMTQIOAC-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N(C)Cc1ccccc1 ZINC000139900756 508796666 /nfs/dbraw/zinc/79/66/66/508796666.db2.gz MYRZPSYMTQIOAC-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000150766123 508888628 /nfs/dbraw/zinc/88/86/28/508888628.db2.gz SGQZQZKGMOYCHZ-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000150766123 508888633 /nfs/dbraw/zinc/88/86/33/508888633.db2.gz SGQZQZKGMOYCHZ-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)N1CCOCC1 ZINC000120029026 508913293 /nfs/dbraw/zinc/91/32/93/508913293.db2.gz DKDYKQMBGBQMRX-NQIIRXRSSA-N 1 3 363.546 2.634 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000125214155 508949785 /nfs/dbraw/zinc/94/97/85/508949785.db2.gz LNZIPIAUOCGAOO-TWFHAPMSSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000125214155 508949786 /nfs/dbraw/zinc/94/97/86/508949786.db2.gz LNZIPIAUOCGAOO-TWFHAPMSSA-N 1 3 373.541 2.521 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CNC(C)=O)C2)CC1 ZINC000155550910 509024590 /nfs/dbraw/zinc/02/45/90/509024590.db2.gz DXHBQAHKVIGSPE-HXUWFJFHSA-N 1 3 372.557 2.567 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CNC(C)=O)C2)CC1 ZINC000155550910 509024592 /nfs/dbraw/zinc/02/45/92/509024592.db2.gz DXHBQAHKVIGSPE-HXUWFJFHSA-N 1 3 372.557 2.567 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CCCCC3)cc2)CC1 ZINC000155775909 509069426 /nfs/dbraw/zinc/06/94/26/509069426.db2.gz DRAAYDITCNCGAM-NRFANRHFSA-N 1 3 372.557 2.854 20 0 FFADHO COCCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132877781 509086350 /nfs/dbraw/zinc/08/63/50/509086350.db2.gz MTQBBSDZTBYRQA-ROUUACIJSA-N 1 3 362.514 2.863 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000151892468 509104955 /nfs/dbraw/zinc/10/49/55/509104955.db2.gz VJBHNIBOCQKCPT-BAGYTPMASA-N 1 3 358.574 2.685 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000156091517 509125397 /nfs/dbraw/zinc/12/53/97/509125397.db2.gz PNCAXWOZVIFXPN-SFHVURJKSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000156091517 509125401 /nfs/dbraw/zinc/12/54/01/509125401.db2.gz PNCAXWOZVIFXPN-SFHVURJKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000156326900 509160301 /nfs/dbraw/zinc/16/03/01/509160301.db2.gz JSURPGMKPZBIQI-QYZOEREBSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162277531 509188108 /nfs/dbraw/zinc/18/81/08/509188108.db2.gz SUGGPTGASGUCCZ-QGZVFWFLSA-N 1 3 359.514 2.871 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000248026940 509218098 /nfs/dbraw/zinc/21/80/98/509218098.db2.gz JSUOXEODNQHNKQ-UFYCRDLUSA-N 1 3 356.514 2.702 20 0 FFADHO C[NH+](C)CCOCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000219324749 509287979 /nfs/dbraw/zinc/28/79/79/509287979.db2.gz QELFXHDSOFXCHB-HNNXBMFYSA-N 1 3 357.292 2.831 20 0 FFADHO C[C@H](NC[C@H](O)COCc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662074 509291254 /nfs/dbraw/zinc/29/12/54/509291254.db2.gz BOVGHAWNUYSVPJ-ZWOKBUDYSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H](NC[C@H](O)COCc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662074 509291259 /nfs/dbraw/zinc/29/12/59/509291259.db2.gz BOVGHAWNUYSVPJ-ZWOKBUDYSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000185662074 509291261 /nfs/dbraw/zinc/29/12/61/509291261.db2.gz BOVGHAWNUYSVPJ-ZWOKBUDYSA-N 1 3 364.505 2.946 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000248403629 509299582 /nfs/dbraw/zinc/29/95/82/509299582.db2.gz OUTDTJSOILUXPG-FMWKFLBASA-N 1 3 353.510 2.640 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248412016 509305096 /nfs/dbraw/zinc/30/50/96/509305096.db2.gz ZWNYNTWVHRBZRN-SQNIBIBYSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248412016 509305105 /nfs/dbraw/zinc/30/51/05/509305105.db2.gz ZWNYNTWVHRBZRN-SQNIBIBYSA-N 1 3 350.551 2.671 20 0 FFADHO CCN(CC)CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000188981279 509352662 /nfs/dbraw/zinc/35/26/62/509352662.db2.gz VZJSTVOMVUGJAY-UHFFFAOYSA-N 1 3 357.498 2.915 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)C1 ZINC000176204617 509377506 /nfs/dbraw/zinc/37/75/06/509377506.db2.gz YBGYUKIPBIRNPT-HDICACEKSA-N 1 3 360.546 2.868 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)C1 ZINC000176204617 509377517 /nfs/dbraw/zinc/37/75/17/509377517.db2.gz YBGYUKIPBIRNPT-HDICACEKSA-N 1 3 360.546 2.868 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176210952 509380574 /nfs/dbraw/zinc/38/05/74/509380574.db2.gz LXRFNOGXMMSMMZ-QGZVFWFLSA-N 1 3 350.551 2.957 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000173141222 509416720 /nfs/dbraw/zinc/41/67/20/509416720.db2.gz FKZASNGKHNUSMN-LJQANCHMSA-N 1 3 372.513 2.885 20 0 FFADHO CC[C@@H](Oc1ccccc1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176289582 509425379 /nfs/dbraw/zinc/42/53/79/509425379.db2.gz YYOPKTCBADZMRM-HXUWFJFHSA-N 1 3 373.541 2.827 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000248926328 509546027 /nfs/dbraw/zinc/54/60/27/509546027.db2.gz YGGMIWOANRLJJZ-XLIONFOSSA-N 1 3 373.541 2.687 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000248926328 509546037 /nfs/dbraw/zinc/54/60/37/509546037.db2.gz YGGMIWOANRLJJZ-XLIONFOSSA-N 1 3 373.541 2.687 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000186272953 509616667 /nfs/dbraw/zinc/61/66/67/509616667.db2.gz AUSVVETXGJHDAI-FPOVZHCZSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000186272953 509616671 /nfs/dbraw/zinc/61/66/71/509616671.db2.gz AUSVVETXGJHDAI-FPOVZHCZSA-N 1 3 372.557 2.880 20 0 FFADHO COc1cccc([C@H](CNC(=O)CCC2CC[NH2+]CC2)N2CCCC2)c1 ZINC000237312094 509618663 /nfs/dbraw/zinc/61/86/63/509618663.db2.gz QZIWFRDZZKIFMY-FQEVSTJZSA-N 1 3 359.514 2.728 20 0 FFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000167536952 509635523 /nfs/dbraw/zinc/63/55/23/509635523.db2.gz ZLESGQKETIBUIX-BLIXFSHQSA-N 1 3 361.530 2.598 20 0 FFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000167536952 509635527 /nfs/dbraw/zinc/63/55/27/509635527.db2.gz ZLESGQKETIBUIX-BLIXFSHQSA-N 1 3 361.530 2.598 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccsc2S1 ZINC000168911980 509653440 /nfs/dbraw/zinc/65/34/40/509653440.db2.gz FCQIEIDRFAYFIM-RDJZCZTQSA-N 1 3 369.600 2.653 20 0 FFADHO CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192831390 509662006 /nfs/dbraw/zinc/66/20/06/509662006.db2.gz XCSXDMOUYLYSBJ-OAQYLSRUSA-N 1 3 355.526 2.984 20 0 FFADHO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000179893148 509663299 /nfs/dbraw/zinc/66/32/99/509663299.db2.gz RSEZHWWNUCLRDN-LJQANCHMSA-N 1 3 359.514 2.745 20 0 FFADHO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000179893148 509663303 /nfs/dbraw/zinc/66/33/03/509663303.db2.gz RSEZHWWNUCLRDN-LJQANCHMSA-N 1 3 359.514 2.745 20 0 FFADHO COC(=O)C[C@H]1CCCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179893148 509663306 /nfs/dbraw/zinc/66/33/06/509663306.db2.gz RSEZHWWNUCLRDN-LJQANCHMSA-N 1 3 359.514 2.745 20 0 FFADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249437101 509680813 /nfs/dbraw/zinc/68/08/13/509680813.db2.gz LERHPOLLAZEYLM-AQNXPRMDSA-N 1 3 361.530 2.589 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000176861992 509730690 /nfs/dbraw/zinc/73/06/90/509730690.db2.gz OLWCBIMDERCIQS-OAHLLOKOSA-N 1 3 361.486 2.581 20 0 FFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](C)N1CCOCC1 ZINC000180138148 509773546 /nfs/dbraw/zinc/77/35/46/509773546.db2.gz NDHSRVHEPSUIQO-GJMPRNFPSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](C)N1CCOCC1 ZINC000180138148 509773555 /nfs/dbraw/zinc/77/35/55/509773555.db2.gz NDHSRVHEPSUIQO-GJMPRNFPSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186590967 509789591 /nfs/dbraw/zinc/78/95/91/509789591.db2.gz JMXWWWFLJHSQIS-UDIDDNNKSA-N 1 3 370.585 2.513 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccsc1 ZINC000173823277 509800343 /nfs/dbraw/zinc/80/03/43/509800343.db2.gz HDWMHBOZKVJTLV-ZWKOTPCHSA-N 1 3 362.543 2.787 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000238079006 509816273 /nfs/dbraw/zinc/81/62/73/509816273.db2.gz IUDBHYNZQVEULS-KBRMVUAJSA-N 1 3 363.505 2.868 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000238079006 509816276 /nfs/dbraw/zinc/81/62/76/509816276.db2.gz IUDBHYNZQVEULS-KBRMVUAJSA-N 1 3 363.505 2.868 20 0 FFADHO C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000251789666 509820288 /nfs/dbraw/zinc/82/02/88/509820288.db2.gz WXYXCKZQEDXSQG-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000170896322 509838201 /nfs/dbraw/zinc/83/82/01/509838201.db2.gz YSIHMANVDBSJJL-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO CN1CC[N@H+](CCCNCc2cn(C(C)(C)C)nn2)[C@H](c2ccccc2)C1 ZINC000253352766 509866978 /nfs/dbraw/zinc/86/69/78/509866978.db2.gz PTXSUUNFPCLQBJ-FQEVSTJZSA-N 1 3 370.545 2.502 20 0 FFADHO CN1CC[N@@H+](CCCNCc2cn(C(C)(C)C)nn2)[C@H](c2ccccc2)C1 ZINC000253352766 509866989 /nfs/dbraw/zinc/86/69/89/509866989.db2.gz PTXSUUNFPCLQBJ-FQEVSTJZSA-N 1 3 370.545 2.502 20 0 FFADHO CC(C)[C@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000171038182 509902456 /nfs/dbraw/zinc/90/24/56/509902456.db2.gz DKOAIZBFXUANBC-MOPGFXCFSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C(=O)[C@@H](N)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261583323 509994262 /nfs/dbraw/zinc/99/42/62/509994262.db2.gz HFZJTKZNPRHEBG-NRFANRHFSA-N 1 3 351.494 2.679 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190253045 510029463 /nfs/dbraw/zinc/02/94/63/510029463.db2.gz YGGMIWOANRLJJZ-YLJYHZDGSA-N 1 3 373.541 2.687 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190253045 510029470 /nfs/dbraw/zinc/02/94/70/510029470.db2.gz YGGMIWOANRLJJZ-YLJYHZDGSA-N 1 3 373.541 2.687 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177505287 510102766 /nfs/dbraw/zinc/10/27/66/510102766.db2.gz SLMXKKUPRRRTQU-IBGZPJMESA-N 1 3 350.551 2.957 20 0 FFADHO CCC(CC)(CNC(=O)[C@H](N)C1CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000261893997 510104331 /nfs/dbraw/zinc/10/43/31/510104331.db2.gz VVFPKROWLLACLE-QFBILLFUSA-N 1 3 361.530 2.766 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC(N)=O)c1 ZINC000268901369 510127173 /nfs/dbraw/zinc/12/71/73/510127173.db2.gz CPOWVDCYGKKOJH-UTKZUKDTSA-N 1 3 367.493 2.551 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC(N)=O)c1 ZINC000268901369 510127179 /nfs/dbraw/zinc/12/71/79/510127179.db2.gz CPOWVDCYGKKOJH-UTKZUKDTSA-N 1 3 367.493 2.551 20 0 FFADHO COc1cc2c(c(CN(C)CC3CC[NH+](C[C@H](C)O)CC3)c1)O[C@@H](C)C2 ZINC000245812004 510154610 /nfs/dbraw/zinc/15/46/10/510154610.db2.gz ZNVNTTFBLARMGS-HOTGVXAUSA-N 1 3 362.514 2.543 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194015655 510177199 /nfs/dbraw/zinc/17/71/99/510177199.db2.gz YWIUJHGQPFHUDL-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194015655 510177208 /nfs/dbraw/zinc/17/72/08/510177208.db2.gz YWIUJHGQPFHUDL-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262134074 510188592 /nfs/dbraw/zinc/18/85/92/510188592.db2.gz OLRPDXOEQFIHMZ-HXUWFJFHSA-N 1 3 367.541 2.649 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245894680 510192683 /nfs/dbraw/zinc/19/26/83/510192683.db2.gz POQLRDJZKDFLBA-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245894680 510192687 /nfs/dbraw/zinc/19/26/87/510192687.db2.gz POQLRDJZKDFLBA-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000269028696 510200574 /nfs/dbraw/zinc/20/05/74/510200574.db2.gz RSDFZRMNWUSOJU-NWSQWKLXSA-N 1 3 371.569 2.988 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000269067329 510219278 /nfs/dbraw/zinc/21/92/78/510219278.db2.gz LVXWZFBZEHUCQY-ZBFHGGJFSA-N 1 3 354.491 2.720 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262306002 510238233 /nfs/dbraw/zinc/23/82/33/510238233.db2.gz ANRYFMNPVACDPC-PBHICJAKSA-N 1 3 357.420 2.555 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194169408 510246993 /nfs/dbraw/zinc/24/69/93/510246993.db2.gz UARUVTHYFSVRJD-DOIPELPJSA-N 1 3 356.510 2.691 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246030075 510256125 /nfs/dbraw/zinc/25/61/25/510256125.db2.gz VWXDTJYADURMHR-PWRODBHTSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246030075 510256130 /nfs/dbraw/zinc/25/61/30/510256130.db2.gz VWXDTJYADURMHR-PWRODBHTSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246028966 510257256 /nfs/dbraw/zinc/25/72/56/510257256.db2.gz VWHYHAIVVMHBJV-PWRODBHTSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246028966 510257264 /nfs/dbraw/zinc/25/72/64/510257264.db2.gz VWHYHAIVVMHBJV-PWRODBHTSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000246039186 510261129 /nfs/dbraw/zinc/26/11/29/510261129.db2.gz WYCAUOZIFQFOMR-FXAWDEMLSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246086773 510284123 /nfs/dbraw/zinc/28/41/23/510284123.db2.gz IINUXEWWSZHEAC-YYWHXJBOSA-N 1 3 373.541 2.559 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000269199013 510285968 /nfs/dbraw/zinc/28/59/68/510285968.db2.gz VPZUSIXMQWVJRP-UHFFFAOYSA-N 1 3 355.526 2.889 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000171656721 510287533 /nfs/dbraw/zinc/28/75/33/510287533.db2.gz SYYPIQQRSLXCHI-UHFFFAOYSA-N 1 3 374.916 2.778 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262470553 510291454 /nfs/dbraw/zinc/29/14/54/510291454.db2.gz YGXHQWWKJBHVDS-FXAWDEMLSA-N 1 3 361.555 2.856 20 0 FFADHO CC1(C)CN(C2(CNC(=O)CCCCCC[NH3+])CCCCC2)CCO1 ZINC000262652599 510354476 /nfs/dbraw/zinc/35/44/76/510354476.db2.gz AWAWNSCHFCXJOX-UHFFFAOYSA-N 1 3 353.551 2.826 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@H]1c1cccs1 ZINC000246204283 510362123 /nfs/dbraw/zinc/36/21/23/510362123.db2.gz NDFVOPJXZWLFPU-NUJGCVRESA-N 1 3 364.559 2.772 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@H]1c1cccs1 ZINC000246204283 510362128 /nfs/dbraw/zinc/36/21/28/510362128.db2.gz NDFVOPJXZWLFPU-NUJGCVRESA-N 1 3 364.559 2.772 20 0 FFADHO CCCN(CCc1cccs1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184508848 510364643 /nfs/dbraw/zinc/36/46/43/510364643.db2.gz URUKKAMWSAQEGS-UHFFFAOYSA-N 1 3 351.560 2.992 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000194438311 510364659 /nfs/dbraw/zinc/36/46/59/510364659.db2.gz ZVZWGCJXMAHERE-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000194438311 510364668 /nfs/dbraw/zinc/36/46/68/510364668.db2.gz ZVZWGCJXMAHERE-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1(C)C ZINC000262818578 510425284 /nfs/dbraw/zinc/42/52/84/510425284.db2.gz XIQNXHADTUWESG-UGKGYDQZSA-N 1 3 373.541 2.821 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000184633832 510430130 /nfs/dbraw/zinc/43/01/30/510430130.db2.gz OHFGIQOFJSXTNM-GHTZIAJQSA-N 1 3 370.541 2.681 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000184633832 510430140 /nfs/dbraw/zinc/43/01/40/510430140.db2.gz OHFGIQOFJSXTNM-GHTZIAJQSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000246409598 510474759 /nfs/dbraw/zinc/47/47/59/510474759.db2.gz FDAUSLYLMGVPLW-KCLUMXDGSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000246409598 510474770 /nfs/dbraw/zinc/47/47/70/510474770.db2.gz FDAUSLYLMGVPLW-KCLUMXDGSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc(OCCN(C)C)c1 ZINC000178192023 510481139 /nfs/dbraw/zinc/48/11/39/510481139.db2.gz KCOGIGJFSBWQFT-MJGOQNOKSA-N 1 3 369.513 2.737 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000246425510 510483774 /nfs/dbraw/zinc/48/37/74/510483774.db2.gz WABCCPVPIPOLTD-VQIMIIECSA-N 1 3 350.551 2.765 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000246438539 510489348 /nfs/dbraw/zinc/48/93/48/510489348.db2.gz UBDAPGACRFBFNO-IAGOWNOFSA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000246438539 510489359 /nfs/dbraw/zinc/48/93/59/510489359.db2.gz UBDAPGACRFBFNO-IAGOWNOFSA-N 1 3 364.559 2.744 20 0 FFADHO CC(C)C[C@@H](CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)[NH+](C)C ZINC000172024602 510506108 /nfs/dbraw/zinc/50/61/08/510506108.db2.gz NETSULZJAZAZPI-NRFANRHFSA-N 1 3 374.573 2.923 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000246503135 510525117 /nfs/dbraw/zinc/52/51/17/510525117.db2.gz WSCFRAGEGJXPJY-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000246503135 510525120 /nfs/dbraw/zinc/52/51/20/510525120.db2.gz WSCFRAGEGJXPJY-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@H](CCNC(=O)NC1CCN(C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175225273 510542412 /nfs/dbraw/zinc/54/24/12/510542412.db2.gz ONZFVUMYLQGWFW-QGZVFWFLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CCNC(=O)NC1CCN(C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175225273 510542425 /nfs/dbraw/zinc/54/24/25/510542425.db2.gz ONZFVUMYLQGWFW-QGZVFWFLSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000175248999 510551047 /nfs/dbraw/zinc/55/10/47/510551047.db2.gz AXWURXRQWRUXMV-UHFFFAOYSA-N 1 3 360.546 2.725 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000175248999 510551052 /nfs/dbraw/zinc/55/10/52/510551052.db2.gz AXWURXRQWRUXMV-UHFFFAOYSA-N 1 3 360.546 2.725 20 0 FFADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000178353228 510562118 /nfs/dbraw/zinc/56/21/18/510562118.db2.gz LYEMODDCHOWYQR-SWLSCSKDSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000178353228 510562122 /nfs/dbraw/zinc/56/21/22/510562122.db2.gz LYEMODDCHOWYQR-SWLSCSKDSA-N 1 3 354.292 2.850 20 0 FFADHO CC[C@@H]1CCCC[C@@H]1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184886009 510564961 /nfs/dbraw/zinc/56/49/61/510564961.db2.gz PSXOGZSVZYYOGV-XLIONFOSSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000263252437 510630394 /nfs/dbraw/zinc/63/03/94/510630394.db2.gz JXUHRAFUXYHSPV-MGPUTAFESA-N 1 3 368.481 2.851 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1(C)C ZINC000181974045 510687025 /nfs/dbraw/zinc/68/70/25/510687025.db2.gz YCWAVBSQWATDGR-WOJBJXKFSA-N 1 3 373.541 2.805 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246881624 510725268 /nfs/dbraw/zinc/72/52/68/510725268.db2.gz IAUQZJZYEFHWMJ-ZIFCJYIRSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246881624 510725274 /nfs/dbraw/zinc/72/52/74/510725274.db2.gz IAUQZJZYEFHWMJ-ZIFCJYIRSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000178765410 510760146 /nfs/dbraw/zinc/76/01/46/510760146.db2.gz TXLHWEQBOWHSLL-WMQCIHAUSA-N 1 3 351.494 2.898 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000178765410 510760150 /nfs/dbraw/zinc/76/01/50/510760150.db2.gz TXLHWEQBOWHSLL-WMQCIHAUSA-N 1 3 351.494 2.898 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172547197 510784223 /nfs/dbraw/zinc/78/42/23/510784223.db2.gz QEIKZMYJRTZKHD-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172547197 510784228 /nfs/dbraw/zinc/78/42/28/510784228.db2.gz QEIKZMYJRTZKHD-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000175773217 510784459 /nfs/dbraw/zinc/78/44/59/510784459.db2.gz IIUJGXPXUVVHMF-HKUYNNGSSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCC(C)CC1 ZINC000172568926 510797748 /nfs/dbraw/zinc/79/77/48/510797748.db2.gz NKFWARVVVKVBEW-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCC(C)CC1 ZINC000172568926 510797751 /nfs/dbraw/zinc/79/77/51/510797751.db2.gz NKFWARVVVKVBEW-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([S@](C)=O)cc1 ZINC000182264449 510837704 /nfs/dbraw/zinc/83/77/04/510837704.db2.gz MJSLWAFGXXBPQO-AUYISRGKSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([S@](C)=O)cc1 ZINC000182264449 510837709 /nfs/dbraw/zinc/83/77/09/510837709.db2.gz MJSLWAFGXXBPQO-AUYISRGKSA-N 1 3 372.534 2.841 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC1CC[NH+](CC)CC1 ZINC000263782174 510838619 /nfs/dbraw/zinc/83/86/19/510838619.db2.gz ZYNXBOBOFVSBMV-HXUWFJFHSA-N 1 3 373.545 2.562 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247161775 510847692 /nfs/dbraw/zinc/84/76/92/510847692.db2.gz XUYKMZRCHZXSLG-RBSFLKMASA-N 1 3 373.339 2.513 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000247491878 510862874 /nfs/dbraw/zinc/86/28/74/510862874.db2.gz RPSSKPICLKPDBC-JYRKZWEQSA-N 1 3 372.557 2.784 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000247491878 510862875 /nfs/dbraw/zinc/86/28/75/510862875.db2.gz RPSSKPICLKPDBC-JYRKZWEQSA-N 1 3 372.557 2.784 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)s2)cn1 ZINC000282197182 510882251 /nfs/dbraw/zinc/88/22/51/510882251.db2.gz HSHFPANFDGKGMY-OAHLLOKOSA-N 1 3 360.527 2.739 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000285423859 510901107 /nfs/dbraw/zinc/90/11/07/510901107.db2.gz YIHNJOSZNUBBKV-OALUTQOASA-N 1 3 352.544 2.972 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000285423859 510901115 /nfs/dbraw/zinc/90/11/15/510901115.db2.gz YIHNJOSZNUBBKV-OALUTQOASA-N 1 3 352.544 2.972 20 0 FFADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC3 ZINC000282512391 511007211 /nfs/dbraw/zinc/00/72/11/511007211.db2.gz ZBZKIZLCJNOGDD-MRXNPFEDSA-N 1 3 370.541 2.649 20 0 FFADHO C[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000364673319 511011884 /nfs/dbraw/zinc/01/18/84/511011884.db2.gz PAVTUCXCYVYJBY-QKMNUUQDSA-N 1 3 358.530 2.794 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000333309594 511199066 /nfs/dbraw/zinc/19/90/66/511199066.db2.gz VBPBUHFPUYKCCP-HBFSDRIKSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)CC[N@H+]1C ZINC000333309594 511199070 /nfs/dbraw/zinc/19/90/70/511199070.db2.gz VBPBUHFPUYKCCP-HBFSDRIKSA-N 1 3 373.545 2.560 20 0 FFADHO CCS(=O)(=O)c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000298186217 511203027 /nfs/dbraw/zinc/20/30/27/511203027.db2.gz WIHPBDGQZLOOBE-UHFFFAOYSA-N 1 3 365.524 2.695 20 0 FFADHO COC[C@H](NCc1cc(C[NH2+][C@H](COC)C2CC2)ccc1F)C1CC1 ZINC000295022424 511255209 /nfs/dbraw/zinc/25/52/09/511255209.db2.gz QSMUGYTYZLGLEY-UXHICEINSA-N 1 3 350.478 2.855 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000283170756 511262446 /nfs/dbraw/zinc/26/24/46/511262446.db2.gz JDEZRTPNKHRFNT-PMACEKPBSA-N 1 3 373.541 2.784 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333532164 511277148 /nfs/dbraw/zinc/27/71/48/511277148.db2.gz ICPDKEMQWDYOGJ-HAGHYFMRSA-N 1 3 370.541 2.666 20 0 FFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1OC ZINC000279992273 511294596 /nfs/dbraw/zinc/29/45/96/511294596.db2.gz FJTNCRNGLVHWQL-ZWKOTPCHSA-N 1 3 363.546 2.813 20 0 FFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000298536700 511318996 /nfs/dbraw/zinc/31/89/96/511318996.db2.gz SOQFTYJOXOMQMH-HNNXBMFYSA-N 1 3 357.498 2.621 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCn2ccnc2C)CC1 ZINC000271792344 511325413 /nfs/dbraw/zinc/32/54/13/511325413.db2.gz KHZVEAMMKQSBQP-INIZCTEOSA-N 1 3 359.493 2.823 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000333950022 511401007 /nfs/dbraw/zinc/40/10/07/511401007.db2.gz XUDKXLZOZJCRTD-MISYRCLQSA-N 1 3 370.541 2.511 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000291986355 511418388 /nfs/dbraw/zinc/41/83/88/511418388.db2.gz WPIOAOYKVJOYPI-QHCPKHFHSA-N 1 3 373.585 2.720 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000291986355 511418394 /nfs/dbraw/zinc/41/83/94/511418394.db2.gz WPIOAOYKVJOYPI-QHCPKHFHSA-N 1 3 373.585 2.720 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@H]1CCOC1 ZINC000280750616 511588072 /nfs/dbraw/zinc/58/80/72/511588072.db2.gz DTVUKFGQPZJKND-CDJZJNNCSA-N 1 3 358.526 2.522 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]c4nccnc34)CC2)C[C@@H](C)O1 ZINC000365671132 511592199 /nfs/dbraw/zinc/59/21/99/511592199.db2.gz YQYNUIKMMOFPHX-HZPDHXFCSA-N 1 3 357.502 2.621 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)C12CCC[NH+]1CCC2 ZINC000365673500 511594163 /nfs/dbraw/zinc/59/41/63/511594163.db2.gz JBDJQBYYNQBQJZ-UHFFFAOYSA-N 1 3 359.436 2.536 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000284126843 511615034 /nfs/dbraw/zinc/61/50/34/511615034.db2.gz OADWSYHTYNLWLW-YADHBBJMSA-N 1 3 359.558 2.941 20 0 FFADHO COC[C@H]1CCN(Cc2cc(C[N@@H+]3CC[C@H](COC)C3)cc(OC)c2)C1 ZINC000292700201 511689887 /nfs/dbraw/zinc/68/98/87/511689887.db2.gz SMLHGRYOASVDBZ-ROUUACIJSA-N 1 3 362.514 2.632 20 0 FFADHO COC[C@H]1CCN(Cc2cc(C[N@H+]3CC[C@H](COC)C3)cc(OC)c2)C1 ZINC000292700201 511689890 /nfs/dbraw/zinc/68/98/90/511689890.db2.gz SMLHGRYOASVDBZ-ROUUACIJSA-N 1 3 362.514 2.632 20 0 FFADHO COC(=O)C1CCC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000284445250 511725957 /nfs/dbraw/zinc/72/59/57/511725957.db2.gz TWSFIXNWSDJANZ-UHFFFAOYSA-N 1 3 360.498 2.981 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311830525 511780024 /nfs/dbraw/zinc/78/00/24/511780024.db2.gz PAZHGHDNTJXIPT-CEWLAPEOSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311830525 511780032 /nfs/dbraw/zinc/78/00/32/511780032.db2.gz PAZHGHDNTJXIPT-CEWLAPEOSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311830525 511780036 /nfs/dbraw/zinc/78/00/36/511780036.db2.gz PAZHGHDNTJXIPT-CEWLAPEOSA-N 1 3 354.494 2.927 20 0 FFADHO CN(CCCn1ccnc1)[C@H]1CCCC[C@H]1[N@H+](C)CCCn1ccnc1 ZINC000274332217 511798449 /nfs/dbraw/zinc/79/84/49/511798449.db2.gz RMHUYNMXTDSUIT-BGYRXZFFSA-N 1 3 358.534 2.735 20 0 FFADHO CN(CCCn1ccnc1)[C@H]1CCCC[C@H]1[N@@H+](C)CCCn1ccnc1 ZINC000274332217 511798453 /nfs/dbraw/zinc/79/84/53/511798453.db2.gz RMHUYNMXTDSUIT-BGYRXZFFSA-N 1 3 358.534 2.735 20 0 FFADHO CN(CCCn1ccnc1)[C@@H]1CCCC[C@@H]1[N@H+](C)CCCn1ccnc1 ZINC000274332217 511798457 /nfs/dbraw/zinc/79/84/57/511798457.db2.gz RMHUYNMXTDSUIT-BGYRXZFFSA-N 1 3 358.534 2.735 20 0 FFADHO CN(CCCn1ccnc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCn1ccnc1 ZINC000274332217 511798462 /nfs/dbraw/zinc/79/84/62/511798462.db2.gz RMHUYNMXTDSUIT-BGYRXZFFSA-N 1 3 358.534 2.735 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001129 511818117 /nfs/dbraw/zinc/81/81/17/511818117.db2.gz NRWNLDQBHGFKQW-WFASDCNBSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001129 511818122 /nfs/dbraw/zinc/81/81/22/511818122.db2.gz NRWNLDQBHGFKQW-WFASDCNBSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001129 511818126 /nfs/dbraw/zinc/81/81/26/511818126.db2.gz NRWNLDQBHGFKQW-WFASDCNBSA-N 1 3 359.297 2.807 20 0 FFADHO CSCCCN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000281430870 511844650 /nfs/dbraw/zinc/84/46/50/511844650.db2.gz PGHNRECDLPCRJQ-KRWDZBQOSA-N 1 3 363.571 2.841 20 0 FFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)ccn1 ZINC000363953707 511871666 /nfs/dbraw/zinc/87/16/66/511871666.db2.gz NRRGNMDHCLBZTI-MSOLQXFVSA-N 1 3 357.502 2.572 20 0 FFADHO Cc1c([C@H](C)N[C@@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000274655059 511900005 /nfs/dbraw/zinc/90/00/05/511900005.db2.gz UEGUDLHADSRORK-ROUUACIJSA-N 1 3 370.545 2.561 20 0 FFADHO Cc1c([C@@H](C)N[C@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000274655058 511900205 /nfs/dbraw/zinc/90/02/05/511900205.db2.gz UEGUDLHADSRORK-QZTJIDSGSA-N 1 3 370.545 2.561 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000296838323 511917416 /nfs/dbraw/zinc/91/74/16/511917416.db2.gz DHYPFNOTAHJNCV-VCSGRIEYSA-N 1 3 370.541 2.572 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000296838323 511917421 /nfs/dbraw/zinc/91/74/21/511917421.db2.gz DHYPFNOTAHJNCV-VCSGRIEYSA-N 1 3 370.541 2.572 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC3(C)CC[NH+](C)CC3)c2)CC1 ZINC000274857507 511965521 /nfs/dbraw/zinc/96/55/21/511965521.db2.gz YFSWLZYVXVDTRK-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO C[N@@H+]1CCCC12CCN(C[C@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000367464278 512512997 /nfs/dbraw/zinc/51/29/97/512512997.db2.gz RGKQFPKSLOKNOU-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO C[N@H+]1CCCC12CCN(C[C@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000367464278 512513002 /nfs/dbraw/zinc/51/30/02/512513002.db2.gz RGKQFPKSLOKNOU-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371741523 512550970 /nfs/dbraw/zinc/55/09/70/512550970.db2.gz LYQTYQUGTYNUJU-IRXDYDNUSA-N 1 3 362.543 2.765 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000371741523 512550973 /nfs/dbraw/zinc/55/09/73/512550973.db2.gz LYQTYQUGTYNUJU-IRXDYDNUSA-N 1 3 362.543 2.765 20 0 FFADHO CCN1CCC(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000378087365 512583711 /nfs/dbraw/zinc/58/37/11/512583711.db2.gz AKHBBNCSKFCOIZ-PMACEKPBSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000378087365 512583713 /nfs/dbraw/zinc/58/37/13/512583713.db2.gz AKHBBNCSKFCOIZ-PMACEKPBSA-N 1 3 370.541 2.634 20 0 FFADHO CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411676484 512751552 /nfs/dbraw/zinc/75/15/52/512751552.db2.gz RJEVIAOCTNYBJY-WOJBJXKFSA-N 1 3 367.578 2.939 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370114062 512774140 /nfs/dbraw/zinc/77/41/40/512774140.db2.gz TUHAHNADLSGHLH-SFTDATJTSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370114062 512774142 /nfs/dbraw/zinc/77/41/42/512774142.db2.gz TUHAHNADLSGHLH-SFTDATJTSA-N 1 3 372.557 2.882 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000411716620 512777471 /nfs/dbraw/zinc/77/74/71/512777471.db2.gz FRALDMUIHLUUKN-RTWAWAEBSA-N 1 3 373.541 2.703 20 0 FFADHO CCOCc1ccc(CNC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000376384927 512795227 /nfs/dbraw/zinc/79/52/27/512795227.db2.gz KQLQKHNPSJXCIH-UHFFFAOYSA-N 1 3 373.541 2.647 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[N@@H+]1C ZINC000368233884 512857242 /nfs/dbraw/zinc/85/72/42/512857242.db2.gz ZYZVNRPVXUNMLQ-JENIJYKNSA-N 1 3 371.525 2.821 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[N@H+]1C ZINC000368233884 512857246 /nfs/dbraw/zinc/85/72/46/512857246.db2.gz ZYZVNRPVXUNMLQ-JENIJYKNSA-N 1 3 371.525 2.821 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000379674425 512869864 /nfs/dbraw/zinc/86/98/64/512869864.db2.gz UKDLKLAZJMVVRU-NSAZKJPHSA-N 1 3 373.541 2.546 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379674425 512869867 /nfs/dbraw/zinc/86/98/67/512869867.db2.gz UKDLKLAZJMVVRU-NSAZKJPHSA-N 1 3 373.541 2.546 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000379674424 512870829 /nfs/dbraw/zinc/87/08/29/512870829.db2.gz UKDLKLAZJMVVRU-ITBLURSFSA-N 1 3 373.541 2.546 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379674424 512870830 /nfs/dbraw/zinc/87/08/30/512870830.db2.gz UKDLKLAZJMVVRU-ITBLURSFSA-N 1 3 373.541 2.546 20 0 FFADHO C[C@H]1CCN(C(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000382768391 512879111 /nfs/dbraw/zinc/87/91/11/512879111.db2.gz YXFXEKSFABNVTG-SFHVURJKSA-N 1 3 351.494 2.924 20 0 FFADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000411982942 512900761 /nfs/dbraw/zinc/90/07/61/512900761.db2.gz QAPOBCSZPBAQIM-MOPGFXCFSA-N 1 3 365.587 2.681 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000376654331 512922302 /nfs/dbraw/zinc/92/23/02/512922302.db2.gz XPXTZUAZHRLYCE-UWJYYQICSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1=CCN(C)CC1 ZINC000374737167 512978766 /nfs/dbraw/zinc/97/87/66/512978766.db2.gz SNTJMKVETBGABO-CEXWTWQISA-N 1 3 362.562 2.933 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1=CCN(C)CC1 ZINC000374737167 512978770 /nfs/dbraw/zinc/97/87/70/512978770.db2.gz SNTJMKVETBGABO-CEXWTWQISA-N 1 3 362.562 2.933 20 0 FFADHO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000370705539 513062305 /nfs/dbraw/zinc/06/23/05/513062305.db2.gz HIOMMWGDTBJVHR-YLJYHZDGSA-N 1 3 353.514 2.535 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000370705539 513062309 /nfs/dbraw/zinc/06/23/09/513062309.db2.gz HIOMMWGDTBJVHR-YLJYHZDGSA-N 1 3 353.514 2.535 20 0 FFADHO CN1CCC(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374912884 513069351 /nfs/dbraw/zinc/06/93/51/513069351.db2.gz GBVASMSRVIJHKV-PWRODBHTSA-N 1 3 355.526 2.745 20 0 FFADHO CN1CCC(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374912884 513069354 /nfs/dbraw/zinc/06/93/54/513069354.db2.gz GBVASMSRVIJHKV-PWRODBHTSA-N 1 3 355.526 2.745 20 0 FFADHO NC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)Cc2ccccc2C1 ZINC000370763120 513090033 /nfs/dbraw/zinc/09/00/33/513090033.db2.gz FNDILWHVLWZDMW-IBGZPJMESA-N 1 3 363.505 2.511 20 0 FFADHO NC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc2C1 ZINC000370763120 513090034 /nfs/dbraw/zinc/09/00/34/513090034.db2.gz FNDILWHVLWZDMW-IBGZPJMESA-N 1 3 363.505 2.511 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000377061179 513103947 /nfs/dbraw/zinc/10/39/47/513103947.db2.gz KJBPMILWJIFSJM-QFIPXVFZSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1CCO2 ZINC000433802029 513153541 /nfs/dbraw/zinc/15/35/41/513153541.db2.gz NICNVOTUHJECIE-INIZCTEOSA-N 1 3 360.502 2.501 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1CCO2 ZINC000433802029 513153549 /nfs/dbraw/zinc/15/35/49/513153549.db2.gz NICNVOTUHJECIE-INIZCTEOSA-N 1 3 360.502 2.501 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC1CC[NH2+]CC1 ZINC000417685797 513160302 /nfs/dbraw/zinc/16/03/02/513160302.db2.gz PIUVFDPIJKAEND-IBGZPJMESA-N 1 3 358.530 2.511 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000417688268 513162493 /nfs/dbraw/zinc/16/24/93/513162493.db2.gz ITSHRYODWNNCAC-UTKZUKDTSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000417688265 513162691 /nfs/dbraw/zinc/16/26/91/513162691.db2.gz ITSHRYODWNNCAC-LAUBAEHRSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417689019 513163001 /nfs/dbraw/zinc/16/30/01/513163001.db2.gz SLMMNGXPUMJRNP-NSISKUIASA-N 1 3 372.557 2.757 20 0 FFADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417691002 513163957 /nfs/dbraw/zinc/16/39/57/513163957.db2.gz WEIAKGLDSSEAHI-ZYSHUDEJSA-N 1 3 358.530 2.591 20 0 FFADHO CCCN(C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000417693860 513167223 /nfs/dbraw/zinc/16/72/23/513167223.db2.gz RABRLFQGUCWAIN-PXNSSMCTSA-N 1 3 358.530 2.996 20 0 FFADHO CCN1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000428707886 513171026 /nfs/dbraw/zinc/17/10/26/513171026.db2.gz HBYRKJOFKWTZOC-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO CCOC1(C)CCN(CCOCC[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000428714899 513172453 /nfs/dbraw/zinc/17/24/53/513172453.db2.gz UOWNIKREGUVMPK-UHFFFAOYSA-N 1 3 356.551 2.785 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCNC(C)(C)C2)[C@H]1c1cccs1 ZINC000417740744 513190902 /nfs/dbraw/zinc/19/09/02/513190902.db2.gz SDMAYZWOCSSNHF-HOCLYGCPSA-N 1 3 350.532 2.524 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCNC(C)(C)C2)[C@H]1c1cccs1 ZINC000417740744 513190908 /nfs/dbraw/zinc/19/09/08/513190908.db2.gz SDMAYZWOCSSNHF-HOCLYGCPSA-N 1 3 350.532 2.524 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446262703 513221953 /nfs/dbraw/zinc/22/19/53/513221953.db2.gz OSQBSGIYHQUUBL-CNNODRBYSA-N 1 3 373.541 2.676 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446262703 513221961 /nfs/dbraw/zinc/22/19/61/513221961.db2.gz OSQBSGIYHQUUBL-CNNODRBYSA-N 1 3 373.541 2.676 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446263082 513222110 /nfs/dbraw/zinc/22/21/10/513222110.db2.gz SWCYVJWIBFLVNU-CNNODRBYSA-N 1 3 373.541 2.677 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000417831702 513226415 /nfs/dbraw/zinc/22/64/15/513226415.db2.gz KNUPFSDUZLRHHE-FQEVSTJZSA-N 1 3 364.493 2.982 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000417838769 513230914 /nfs/dbraw/zinc/23/09/14/513230914.db2.gz NIAUMWXPHUGMDO-BWPNAZKDSA-N 1 3 358.530 2.808 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CC[NH3+])C2)CCN1Cc1ccccc1 ZINC000417841757 513231650 /nfs/dbraw/zinc/23/16/50/513231650.db2.gz PCEYQMSQASDRRE-MISYRCLQSA-N 1 3 358.530 2.810 20 0 FFADHO CCOc1cc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)ccc1O ZINC000421378897 513242725 /nfs/dbraw/zinc/24/27/25/513242725.db2.gz UBRPMVLXXUGLPG-UHFFFAOYSA-N 1 3 361.530 2.783 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3NC(C)=O)CC2)CC1 ZINC000421382863 513244038 /nfs/dbraw/zinc/24/40/38/513244038.db2.gz YQSRXCJPVNWCRG-UHFFFAOYSA-N 1 3 358.530 2.637 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417880034 513251880 /nfs/dbraw/zinc/25/18/80/513251880.db2.gz SFKJEMCTMLBGBX-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[N@H+](CCOc1cccc(CN[C@H]2COC(C)(C)C2)c1)C1CCOCC1 ZINC000417900858 513266256 /nfs/dbraw/zinc/26/62/56/513266256.db2.gz MSOIYOGXXSXWCV-GOSISDBHSA-N 1 3 362.514 2.833 20 0 FFADHO C[N@@H+](CCOc1cccc(CN[C@H]2COC(C)(C)C2)c1)C1CCOCC1 ZINC000417900858 513266265 /nfs/dbraw/zinc/26/62/65/513266265.db2.gz MSOIYOGXXSXWCV-GOSISDBHSA-N 1 3 362.514 2.833 20 0 FFADHO Cc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000450608544 513272326 /nfs/dbraw/zinc/27/23/26/513272326.db2.gz DSFADTVGWXYZKU-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000417912590 513273833 /nfs/dbraw/zinc/27/38/33/513273833.db2.gz OOWKOSXLJGGASY-YLJYHZDGSA-N 1 3 360.546 2.916 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000417912590 513273840 /nfs/dbraw/zinc/27/38/40/513273840.db2.gz OOWKOSXLJGGASY-YLJYHZDGSA-N 1 3 360.546 2.916 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)NCC3(N(C)C)CCC3)CC2)CC1 ZINC000446619974 513297130 /nfs/dbraw/zinc/29/71/30/513297130.db2.gz LIJWNVKRPNRLGG-UHFFFAOYSA-N 1 3 350.551 2.813 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000446740046 513327532 /nfs/dbraw/zinc/32/75/32/513327532.db2.gz ABLYHHCUTBELPP-PXNSSMCTSA-N 1 3 357.502 2.740 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418010899 513332292 /nfs/dbraw/zinc/33/22/92/513332292.db2.gz KCQVTDANZNGZEN-DUXKGJEZSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418025872 513340126 /nfs/dbraw/zinc/34/01/26/513340126.db2.gz DVGJTWAXPJQTDW-HBMCJLEFSA-N 1 3 372.557 2.830 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000418032459 513343126 /nfs/dbraw/zinc/34/31/26/513343126.db2.gz LZGGUVVHSHYRSF-SXLOBPIMSA-N 1 3 360.546 2.769 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434496452 513343335 /nfs/dbraw/zinc/34/33/35/513343335.db2.gz IHSIDOKJDSMHMJ-HXUWFJFHSA-N 1 3 359.514 2.998 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418093697 513368715 /nfs/dbraw/zinc/36/87/15/513368715.db2.gz CFTLEXLRAZNRMS-BZSNNMDCSA-N 1 3 350.551 2.671 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418110979 513376638 /nfs/dbraw/zinc/37/66/38/513376638.db2.gz WZBAQCJFDIUOME-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO C[NH2+]CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418149171 513390728 /nfs/dbraw/zinc/39/07/28/513390728.db2.gz ATUPSNYQCWHSSG-LEWJYISDSA-N 1 3 366.509 2.563 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418153143 513394715 /nfs/dbraw/zinc/39/47/15/513394715.db2.gz IIYYKIWXLABNOS-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccco1 ZINC000418160349 513398363 /nfs/dbraw/zinc/39/83/63/513398363.db2.gz CXRRBBYVJLWSGZ-BSDSXHPESA-N 1 3 362.518 2.740 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418184150 513410598 /nfs/dbraw/zinc/41/05/98/513410598.db2.gz PMFBBIMXZLVAEA-KRWDZBQOSA-N 1 3 352.910 2.856 20 0 FFADHO C[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000418184198 513410687 /nfs/dbraw/zinc/41/06/87/513410687.db2.gz POYKMOAGODHJEG-IEBWSBKVSA-N 1 3 358.530 2.853 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418189819 513412983 /nfs/dbraw/zinc/41/29/83/513412983.db2.gz VTTGSNNEDHAOMM-IRXDYDNUSA-N 1 3 352.910 2.774 20 0 FFADHO C[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000418192922 513414602 /nfs/dbraw/zinc/41/46/02/513414602.db2.gz ZETFFNSWFANJGR-VDGAXYAQSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)C)cc1 ZINC000418203964 513420191 /nfs/dbraw/zinc/42/01/91/513420191.db2.gz KYDACKYXVBOYKN-SFHVURJKSA-N 1 3 364.534 2.703 20 0 FFADHO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000447236371 513423457 /nfs/dbraw/zinc/42/34/57/513423457.db2.gz KXEXTBJXHCPWHJ-IBGZPJMESA-N 1 3 370.497 2.627 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000418230806 513431585 /nfs/dbraw/zinc/43/15/85/513431585.db2.gz JTFRPTNCSTXLLB-SZMVWBNQSA-N 1 3 364.559 2.828 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000418230149 513432192 /nfs/dbraw/zinc/43/21/92/513432192.db2.gz DREPHNHTXBRNBX-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000418230149 513432198 /nfs/dbraw/zinc/43/21/98/513432198.db2.gz DREPHNHTXBRNBX-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000418284710 513451607 /nfs/dbraw/zinc/45/16/07/513451607.db2.gz NEMNHZOSLURVEN-SFHVURJKSA-N 1 3 362.518 2.649 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415885521 513462429 /nfs/dbraw/zinc/46/24/29/513462429.db2.gz SCRUUUWZHCUPEL-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO C[C@H](NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418341843 513472864 /nfs/dbraw/zinc/47/28/64/513472864.db2.gz MNKSTCGLKIUKSF-IRXDYDNUSA-N 1 3 352.567 2.917 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)c1 ZINC000415917585 513476929 /nfs/dbraw/zinc/47/69/29/513476929.db2.gz JGGJGDRFNNHAFL-UHFFFAOYSA-N 1 3 352.482 2.627 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418353392 513478875 /nfs/dbraw/zinc/47/88/75/513478875.db2.gz CZZDKJAIILPBJN-IBGZPJMESA-N 1 3 364.509 2.807 20 0 FFADHO O=C(NCC[C@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418377746 513489153 /nfs/dbraw/zinc/48/91/53/513489153.db2.gz VJISBFKOTMIZSI-DENIHFKCSA-N 1 3 370.541 2.684 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000415949828 513495882 /nfs/dbraw/zinc/49/58/82/513495882.db2.gz GOYHXOSXFKCBGQ-UHFFFAOYSA-N 1 3 362.518 2.807 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418415011 513500369 /nfs/dbraw/zinc/50/03/69/513500369.db2.gz SJPGLORMZDJCAT-VQTJNVASSA-N 1 3 360.546 2.710 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)C[C@H](C)O1 ZINC000415971228 513509018 /nfs/dbraw/zinc/50/90/18/513509018.db2.gz FZIZZTFRKROWDA-CALCHBBNSA-N 1 3 374.529 2.889 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418482495 513527864 /nfs/dbraw/zinc/52/78/64/513527864.db2.gz DZHOMSQKWGURMO-UIAACRFSSA-N 1 3 354.498 2.821 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418482495 513527871 /nfs/dbraw/zinc/52/78/71/513527871.db2.gz DZHOMSQKWGURMO-UIAACRFSSA-N 1 3 354.498 2.821 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418490992 513530962 /nfs/dbraw/zinc/53/09/62/513530962.db2.gz RFPFZBGWCLZTFZ-IBGZPJMESA-N 1 3 354.498 2.965 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418511617 513539738 /nfs/dbraw/zinc/53/97/38/513539738.db2.gz CXMZDZQZOBBSCB-OAQYLSRUSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C(=O)NCC1=CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418537098 513547872 /nfs/dbraw/zinc/54/78/72/513547872.db2.gz IBNXDJMOVXLLST-XLIONFOSSA-N 1 3 356.514 2.773 20 0 FFADHO COc1cc2nccc(NCCC[N@@H+]3CCCO[C@@H](C)C3)c2cc1OC ZINC000413261007 513553688 /nfs/dbraw/zinc/55/36/88/513553688.db2.gz IBLRZNYVTDNRMX-HNNXBMFYSA-N 1 3 359.470 2.587 20 0 FFADHO COc1cc2nccc(NCCC[N@H+]3CCCO[C@@H](C)C3)c2cc1OC ZINC000413261007 513553693 /nfs/dbraw/zinc/55/36/93/513553693.db2.gz IBLRZNYVTDNRMX-HNNXBMFYSA-N 1 3 359.470 2.587 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418553981 513555697 /nfs/dbraw/zinc/55/56/97/513555697.db2.gz UTRDHQAGNZSFIU-IFMALSPDSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418564538 513560032 /nfs/dbraw/zinc/56/00/32/513560032.db2.gz WXMZOJDKVGJQAT-UZKOGDIHSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418596280 513571869 /nfs/dbraw/zinc/57/18/69/513571869.db2.gz ORQDYVLEBSOKGA-FXAWDEMLSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418636670 513585767 /nfs/dbraw/zinc/58/57/67/513585767.db2.gz IWTWGOSDIXQSKO-INIZCTEOSA-N 1 3 352.548 2.600 20 0 FFADHO CN(C)[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000416130114 513585945 /nfs/dbraw/zinc/58/59/45/513585945.db2.gz WZOTWPAVWPSEBL-QFIPXVFZSA-N 1 3 365.521 2.724 20 0 FFADHO CN(C)[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000416130114 513585949 /nfs/dbraw/zinc/58/59/49/513585949.db2.gz WZOTWPAVWPSEBL-QFIPXVFZSA-N 1 3 365.521 2.724 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418686310 513612396 /nfs/dbraw/zinc/61/23/96/513612396.db2.gz ORXWSAKVNZERMM-VAMGGRTRSA-N 1 3 372.557 2.915 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418732732 513630230 /nfs/dbraw/zinc/63/02/30/513630230.db2.gz UTFNOUOTBHMYLL-YZGWKJHDSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418766972 513648946 /nfs/dbraw/zinc/64/89/46/513648946.db2.gz LEDWGZZDDMNUCR-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418774122 513650916 /nfs/dbraw/zinc/65/09/16/513650916.db2.gz RFJGUAAGRHDVPT-KRWDZBQOSA-N 1 3 368.472 2.570 20 0 FFADHO [NH3+][C@@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000448240337 513715642 /nfs/dbraw/zinc/71/56/42/513715642.db2.gz LHCKUWTVCDWEMJ-FQEVSTJZSA-N 1 3 353.466 2.672 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NCCN1CCC2(CCCCC2)CC1 ZINC000442451077 513722427 /nfs/dbraw/zinc/72/24/27/513722427.db2.gz FXQOARRLQCLONR-UHFFFAOYSA-N 1 3 350.551 2.818 20 0 FFADHO NC[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000430700336 513726101 /nfs/dbraw/zinc/72/61/01/513726101.db2.gz RXIMGYYASMRZHT-NRFANRHFSA-N 1 3 367.493 2.520 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@@H](C)[C@H](N)c3ccccc3)CCCC2)CC1 ZINC000430703441 513727681 /nfs/dbraw/zinc/72/76/81/513727681.db2.gz FJIZIEUURKVGFR-PXNSSMCTSA-N 1 3 373.541 2.862 20 0 FFADHO C[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000442604234 513743812 /nfs/dbraw/zinc/74/38/12/513743812.db2.gz KFBPYHJQOHFINB-NQIIRXRSSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCN3CCN(C)C(C)(C)C3)CC2)C1 ZINC000442873561 513800990 /nfs/dbraw/zinc/80/09/90/513800990.db2.gz RGMZVPTVTAZTBY-AZUAARDMSA-N 1 3 350.595 2.645 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)CN(C)C ZINC000425936571 513801780 /nfs/dbraw/zinc/80/17/80/513801780.db2.gz JAKDRSAHGMPFPH-GJZGRUSLSA-N 1 3 360.502 2.540 20 0 FFADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)C[NH+](C)C ZINC000425936571 513801789 /nfs/dbraw/zinc/80/17/89/513801789.db2.gz JAKDRSAHGMPFPH-GJZGRUSLSA-N 1 3 360.502 2.540 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)CN(C)C ZINC000425944771 513803693 /nfs/dbraw/zinc/80/36/93/513803693.db2.gz YVKJZBDRWDGNGB-BRWVUGGUSA-N 1 3 357.498 2.771 20 0 FFADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NCCc1cccc(Cl)c1Cl ZINC000431034988 513810690 /nfs/dbraw/zinc/81/06/90/513810690.db2.gz BGIJNLHTPQHBFB-UHFFFAOYSA-N 1 3 370.324 2.728 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436285610 513816655 /nfs/dbraw/zinc/81/66/55/513816655.db2.gz FLUDLGQBMPRCDF-TUNNFDKTSA-N 1 3 355.526 2.747 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC(C)(C)CC[NH3+])c2cccs2)CC1 ZINC000422590822 513860837 /nfs/dbraw/zinc/86/08/37/513860837.db2.gz LLDWEZQOJUXJID-HNNXBMFYSA-N 1 3 352.548 2.948 20 0 FFADHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(OC)c1OC ZINC000422703986 513907167 /nfs/dbraw/zinc/90/71/67/513907167.db2.gz OJQCCKJCHMTACR-QAPCUYQASA-N 1 3 358.482 2.803 20 0 FFADHO CN1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422712883 513909604 /nfs/dbraw/zinc/90/96/04/513909604.db2.gz OUQGMTVUKGDFAC-RJGXRXQPSA-N 1 3 370.585 2.834 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422722008 513912667 /nfs/dbraw/zinc/91/26/67/513912667.db2.gz WPEDJRQUYMXFNK-GBESFXJTSA-N 1 3 350.528 2.751 20 0 FFADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2c1CCC2 ZINC000448838224 513923289 /nfs/dbraw/zinc/92/32/89/513923289.db2.gz WFFFDSHNMMFSMX-UHFFFAOYSA-N 1 3 355.526 2.772 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cc(OC)ccc2OC)CC[NH2+]CC1 ZINC000422760631 513923893 /nfs/dbraw/zinc/92/38/93/513923893.db2.gz GUBOGVHPQTXYTA-CABCVRRESA-N 1 3 364.486 2.676 20 0 FFADHO O[C@@H]1CC[C@@H]2CN(C/C=C/C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705439 513925259 /nfs/dbraw/zinc/92/52/59/513925259.db2.gz YRELBLDHNBVZBR-OUIQXELESA-N 1 3 362.558 2.508 20 0 FFADHO O[C@@H]1CC[C@@H]2CN(C/C=C/C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705439 513925267 /nfs/dbraw/zinc/92/52/67/513925267.db2.gz YRELBLDHNBVZBR-OUIQXELESA-N 1 3 362.558 2.508 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422767710 513926904 /nfs/dbraw/zinc/92/69/04/513926904.db2.gz YUHOQGRCYGFGER-MBDNFAEBSA-N 1 3 373.541 2.579 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000422773740 513929167 /nfs/dbraw/zinc/92/91/67/513929167.db2.gz UXFAYOSHXHMDQG-AVRDEDQJSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000422773740 513929170 /nfs/dbraw/zinc/92/91/70/513929170.db2.gz UXFAYOSHXHMDQG-AVRDEDQJSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422786587 513931834 /nfs/dbraw/zinc/93/18/34/513931834.db2.gz SSIQZWXNVUYMSS-LZQZEXGQSA-N 1 3 351.922 2.691 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000448852237 513933220 /nfs/dbraw/zinc/93/32/20/513933220.db2.gz ILILOUZKLJGDPZ-ZDUSSCGKSA-N 1 3 360.424 2.522 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000448852237 513933225 /nfs/dbraw/zinc/93/32/25/513933225.db2.gz ILILOUZKLJGDPZ-ZDUSSCGKSA-N 1 3 360.424 2.522 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422799464 513936393 /nfs/dbraw/zinc/93/63/93/513936393.db2.gz WVQPNDPDYHEIJO-KMFMINBZSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422799464 513936395 /nfs/dbraw/zinc/93/63/95/513936395.db2.gz WVQPNDPDYHEIJO-KMFMINBZSA-N 1 3 360.420 2.714 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]1NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422843656 513949583 /nfs/dbraw/zinc/94/95/83/513949583.db2.gz JDHRDLPYHDEUOT-DHIUTWEWSA-N 1 3 364.537 2.978 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H](C3CC3)[C@@H]3CNCCO3)cc2)C1 ZINC000422852431 513953721 /nfs/dbraw/zinc/95/37/21/513953721.db2.gz ANTUJBXGHCECMK-WTNAPCKOSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H](C3CC3)[C@@H]3CNCCO3)cc2)C1 ZINC000422852431 513953727 /nfs/dbraw/zinc/95/37/27/513953727.db2.gz ANTUJBXGHCECMK-WTNAPCKOSA-N 1 3 357.542 2.775 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000431646565 513955330 /nfs/dbraw/zinc/95/53/30/513955330.db2.gz XBHYMWVTFNPMIL-LJQANCHMSA-N 1 3 350.551 2.623 20 0 FFADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422862257 513956436 /nfs/dbraw/zinc/95/64/36/513956436.db2.gz POCXQYJHQBHLPB-KZNAEPCWSA-N 1 3 362.514 2.728 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)CC[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431685030 513967566 /nfs/dbraw/zinc/96/75/66/513967566.db2.gz IUFKISVSWVFNRF-NSHGMRRFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)CC[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000431685030 513967571 /nfs/dbraw/zinc/96/75/71/513967571.db2.gz IUFKISVSWVFNRF-NSHGMRRFSA-N 1 3 358.530 2.775 20 0 FFADHO NC[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422907257 513971653 /nfs/dbraw/zinc/97/16/53/513971653.db2.gz WQVNLEREOFKVEG-SJLPKXTDSA-N 1 3 350.938 2.569 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416801105 513972887 /nfs/dbraw/zinc/97/28/87/513972887.db2.gz GNZVIQJYNVHQTL-VQTJNVASSA-N 1 3 354.498 2.851 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416831863 513988700 /nfs/dbraw/zinc/98/87/00/513988700.db2.gz BMNOCJNTNYLLFW-HRCADAONSA-N 1 3 350.532 2.796 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416836641 513991890 /nfs/dbraw/zinc/99/18/90/513991890.db2.gz GWIXOIWPAIOUJM-CTNGQTDRSA-N 1 3 366.509 2.823 20 0 FFADHO CC[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000414171266 513995384 /nfs/dbraw/zinc/99/53/84/513995384.db2.gz CZQDFNNDHOQTJJ-HKUYNNGSSA-N 1 3 361.530 2.926 20 0 FFADHO CC[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000414171266 513995389 /nfs/dbraw/zinc/99/53/89/513995389.db2.gz CZQDFNNDHOQTJJ-HKUYNNGSSA-N 1 3 361.530 2.926 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000422978683 513996567 /nfs/dbraw/zinc/99/65/67/513996567.db2.gz KDDMHOCKKXOGQX-YJMBLLCNSA-N 1 3 359.558 2.770 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000416841653 513997338 /nfs/dbraw/zinc/99/73/38/513997338.db2.gz MDMHCRKPIVTDBT-OXQOHEQNSA-N 1 3 352.482 2.780 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1csc(Cl)c1 ZINC000414183430 514001477 /nfs/dbraw/zinc/00/14/77/514001477.db2.gz DTGDPMAFCVNOHQ-CQSZACIVSA-N 1 3 357.951 2.849 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422994951 514003140 /nfs/dbraw/zinc/00/31/40/514003140.db2.gz WPVRUAQMIDBGOB-UKPHBRMFSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422994951 514003145 /nfs/dbraw/zinc/00/31/45/514003145.db2.gz WPVRUAQMIDBGOB-UKPHBRMFSA-N 1 3 360.420 2.714 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000416853069 514004410 /nfs/dbraw/zinc/00/44/10/514004410.db2.gz TXIRNNCAJAJICR-CVEARBPZSA-N 1 3 350.532 2.558 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000414195330 514006126 /nfs/dbraw/zinc/00/61/26/514006126.db2.gz NZJFWUKNLHCZCB-INIZCTEOSA-N 1 3 363.571 2.684 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416858129 514007953 /nfs/dbraw/zinc/00/79/53/514007953.db2.gz SKQQPACFJWDMOZ-KPFFTGBYSA-N 1 3 374.529 2.519 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC000416878803 514019084 /nfs/dbraw/zinc/01/90/84/514019084.db2.gz FBKUBAOVSOCIPS-PMACEKPBSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443680678 514021725 /nfs/dbraw/zinc/02/17/25/514021725.db2.gz BWGRFFCYANGSKH-KRWDZBQOSA-N 1 3 352.567 2.870 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1ccccc1Br ZINC000423073038 514028635 /nfs/dbraw/zinc/02/86/35/514028635.db2.gz IDJQYVPOEKPOJD-XYPHTWIQSA-N 1 3 355.320 2.850 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423075394 514029119 /nfs/dbraw/zinc/02/91/19/514029119.db2.gz OLAHFVHNKRRRFD-QRTARXTBSA-N 1 3 355.320 2.707 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423079955 514032173 /nfs/dbraw/zinc/03/21/73/514032173.db2.gz YXZKAWYSBBDUOP-ZOBUZTSGSA-N 1 3 355.320 2.707 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(S(C)(=O)=O)s2)C1 ZINC000414298146 514038163 /nfs/dbraw/zinc/03/81/63/514038163.db2.gz ZAHHOHFJFNZEHR-GASCZTMLSA-N 1 3 358.573 2.999 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(S(C)(=O)=O)s2)C1 ZINC000414298146 514038168 /nfs/dbraw/zinc/03/81/68/514038168.db2.gz ZAHHOHFJFNZEHR-GASCZTMLSA-N 1 3 358.573 2.999 20 0 FFADHO OC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCN(Cc2ccccc2)CC1 ZINC000414300471 514039639 /nfs/dbraw/zinc/03/96/39/514039639.db2.gz JAAVJNCYURSKEL-AQNXPRMDSA-N 1 3 356.510 2.561 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000423141616 514058215 /nfs/dbraw/zinc/05/82/15/514058215.db2.gz QWQVRHTWJCLGKM-PERKRYKHSA-N 1 3 372.509 2.545 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCCCC[NH3+])cc1 ZINC000416949504 514062794 /nfs/dbraw/zinc/06/27/94/514062794.db2.gz DBCKQNDPUCWVTP-UHFFFAOYSA-N 1 3 354.498 2.953 20 0 FFADHO COC(=O)COC[C@H](C)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000449082774 514065657 /nfs/dbraw/zinc/06/56/57/514065657.db2.gz PURHSVSRYVHJBI-KURKYZTESA-N 1 3 362.514 2.832 20 0 FFADHO COCCN1CCC[C@@H]1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449115970 514078740 /nfs/dbraw/zinc/07/87/40/514078740.db2.gz JLKDSTCTBBUBMW-DENIHFKCSA-N 1 3 359.558 2.782 20 0 FFADHO COCCN1CCC[C@@H]1CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449115970 514078744 /nfs/dbraw/zinc/07/87/44/514078744.db2.gz JLKDSTCTBBUBMW-DENIHFKCSA-N 1 3 359.558 2.782 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000449120298 514080479 /nfs/dbraw/zinc/08/04/79/514080479.db2.gz CJSUMVFJKUXQOL-PGRDOPGGSA-N 1 3 357.542 2.535 20 0 FFADHO C[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000420300347 514080592 /nfs/dbraw/zinc/08/05/92/514080592.db2.gz KCZKFWQYTRZRFX-DLBZAZTESA-N 1 3 363.933 2.805 20 0 FFADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000420300349 514080776 /nfs/dbraw/zinc/08/07/76/514080776.db2.gz KCZKFWQYTRZRFX-IAGOWNOFSA-N 1 3 363.933 2.805 20 0 FFADHO CCCN(C(=O)NC1CCN(Cc2ccccc2C)CC1)[C@H]1CC[NH2+]C1 ZINC000416978062 514085944 /nfs/dbraw/zinc/08/59/44/514085944.db2.gz QRDIKKXVFJAEAB-FQEVSTJZSA-N 1 3 358.530 2.743 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000420346049 514104433 /nfs/dbraw/zinc/10/44/33/514104433.db2.gz WDXATVOLSRKNNH-RZUBCFFCSA-N 1 3 355.526 2.966 20 0 FFADHO O=C1[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000420345106 514104644 /nfs/dbraw/zinc/10/46/44/514104644.db2.gz VGXXLTFQJAKPCI-AHIWAGSCSA-N 1 3 351.853 2.516 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)c1ccsc1 ZINC000416999184 514105403 /nfs/dbraw/zinc/10/54/03/514105403.db2.gz BQFAKDQMYKENLS-WBVHZDCISA-N 1 3 352.548 2.772 20 0 FFADHO c1ccc(Oc2ccc(OCCN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000420350477 514106068 /nfs/dbraw/zinc/10/60/68/514106068.db2.gz SXKUBUNKEPDPBE-IBGZPJMESA-N 1 3 367.493 2.837 20 0 FFADHO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCc2ccccc2C1 ZINC000417002289 514108252 /nfs/dbraw/zinc/10/82/52/514108252.db2.gz AMALAFHABLASTJ-WOZUAGRISA-N 1 3 370.541 2.592 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417006621 514111803 /nfs/dbraw/zinc/11/18/03/514111803.db2.gz JVHZJWHVNYTODK-RDJZCZTQSA-N 1 3 352.548 2.820 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000423343855 514113495 /nfs/dbraw/zinc/11/34/95/514113495.db2.gz XKKGGLWBAXGGSM-IBGZPJMESA-N 1 3 355.486 2.902 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417008055 514113958 /nfs/dbraw/zinc/11/39/58/514113958.db2.gz ICHZKLJABSKWJU-NSISKUIASA-N 1 3 358.530 2.640 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000423358030 514117073 /nfs/dbraw/zinc/11/70/73/514117073.db2.gz NAWGGELLFGQDAM-IXDOHACOSA-N 1 3 359.514 2.668 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000423371083 514119402 /nfs/dbraw/zinc/11/94/02/514119402.db2.gz HJJYVDOGAINCKL-RTBURBONSA-N 1 3 361.530 2.590 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2o1 ZINC000420387189 514122581 /nfs/dbraw/zinc/12/25/81/514122581.db2.gz JYKRTXBCVFUTMC-PKOBYXMFSA-N 1 3 372.465 2.938 20 0 FFADHO COCC1(CN[C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC[NH2+]CC1 ZINC000423405098 514131582 /nfs/dbraw/zinc/13/15/82/514131582.db2.gz JDSMIVLHZSRMKE-AWEZNQCLSA-N 1 3 363.893 2.588 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000417032338 514131902 /nfs/dbraw/zinc/13/19/02/514131902.db2.gz FCBJYJHOGIXXAH-UEXGIBASSA-N 1 3 372.557 2.931 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000417032338 514131909 /nfs/dbraw/zinc/13/19/09/514131909.db2.gz FCBJYJHOGIXXAH-UEXGIBASSA-N 1 3 372.557 2.931 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420403360 514135738 /nfs/dbraw/zinc/13/57/38/514135738.db2.gz RFGAMYLMPUUKKM-VQIMIIECSA-N 1 3 355.482 2.527 20 0 FFADHO CN1CCO[C@H]([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423448778 514143452 /nfs/dbraw/zinc/14/34/52/514143452.db2.gz VPFPCMHUSALAMO-ZGXWSNOMSA-N 1 3 363.933 2.689 20 0 FFADHO C[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(Cl)c1 ZINC000414481533 514144255 /nfs/dbraw/zinc/14/42/55/514144255.db2.gz KURHSVQIRFITGN-KRWDZBQOSA-N 1 3 365.949 2.830 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444176569 514144635 /nfs/dbraw/zinc/14/46/35/514144635.db2.gz PYVOPOOSGPFENK-ZACQAIPSSA-N 1 3 359.514 2.843 20 0 FFADHO CC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C ZINC000423450840 514145025 /nfs/dbraw/zinc/14/50/25/514145025.db2.gz XPLDXQWQYVVTPB-IPMKNSEASA-N 1 3 359.514 2.582 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1(C)C ZINC000444185945 514149023 /nfs/dbraw/zinc/14/90/23/514149023.db2.gz QFBRXHGUFYKLDK-KNQAVFIVSA-N 1 3 373.541 2.821 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417086273 514161408 /nfs/dbraw/zinc/16/14/08/514161408.db2.gz DTYXGRHHXCXWHK-FQEVSTJZSA-N 1 3 370.541 2.826 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000417090131 514162523 /nfs/dbraw/zinc/16/25/23/514162523.db2.gz USVHZWKRTDUESB-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1SC ZINC000414527047 514164127 /nfs/dbraw/zinc/16/41/27/514164127.db2.gz QIOUWZICHATAQR-QRVBRYPASA-N 1 3 364.555 2.512 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000427270317 514167649 /nfs/dbraw/zinc/16/76/49/514167649.db2.gz SNMQWPRPHBLHNW-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417179377 514213259 /nfs/dbraw/zinc/21/32/59/514213259.db2.gz FOJSBDAIHCAICX-VQTJNVASSA-N 1 3 372.557 2.579 20 0 FFADHO CCN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)[C@@H](C)C1 ZINC000449524690 514240274 /nfs/dbraw/zinc/24/02/74/514240274.db2.gz PBJFDUUNLWLWOO-HTAPYJJXSA-N 1 3 372.557 2.929 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](CCc2ccccc2F)C2CCCC2)C1 ZINC000414692328 514244807 /nfs/dbraw/zinc/24/48/07/514244807.db2.gz AVZMWDUHWCXXOV-QGZVFWFLSA-N 1 3 361.505 2.810 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCc2ccccc2F)C2CCCC2)C1 ZINC000414692328 514244811 /nfs/dbraw/zinc/24/48/11/514244811.db2.gz AVZMWDUHWCXXOV-QGZVFWFLSA-N 1 3 361.505 2.810 20 0 FFADHO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414712141 514252783 /nfs/dbraw/zinc/25/27/83/514252783.db2.gz UTRGZGZXGRNORE-SFHVURJKSA-N 1 3 351.494 2.983 20 0 FFADHO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414712141 514252788 /nfs/dbraw/zinc/25/27/88/514252788.db2.gz UTRGZGZXGRNORE-SFHVURJKSA-N 1 3 351.494 2.983 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(F)cc3F)CCCC2)C1 ZINC000414716553 514253060 /nfs/dbraw/zinc/25/30/60/514253060.db2.gz YMNUTHLIZBPQCS-AWEZNQCLSA-N 1 3 351.441 2.521 20 0 FFADHO COc1ccc(Cl)cc1CN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414730000 514260216 /nfs/dbraw/zinc/26/02/16/514260216.db2.gz GGTFNNOLDYPGLY-HZPDHXFCSA-N 1 3 351.922 2.854 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417291206 514277447 /nfs/dbraw/zinc/27/74/47/514277447.db2.gz ABJVLRVSQDGXGF-HOTGVXAUSA-N 1 3 372.435 2.831 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000423893438 514279044 /nfs/dbraw/zinc/27/90/44/514279044.db2.gz KXPNRTYPRJFEOL-SXLOBPIMSA-N 1 3 359.514 2.856 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000423893435 514279555 /nfs/dbraw/zinc/27/95/55/514279555.db2.gz KXPNRTYPRJFEOL-RLLQIKCJSA-N 1 3 359.514 2.856 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417320828 514293377 /nfs/dbraw/zinc/29/33/77/514293377.db2.gz AREMIWMQFUFXTP-RYRKJORJSA-N 1 3 350.551 2.526 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000449673795 514297249 /nfs/dbraw/zinc/29/72/49/514297249.db2.gz QJFQGXGXDRKUHU-FUHWJXTLSA-N 1 3 371.447 2.574 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000449673795 514297255 /nfs/dbraw/zinc/29/72/55/514297255.db2.gz QJFQGXGXDRKUHU-FUHWJXTLSA-N 1 3 371.447 2.574 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CC1 ZINC000414805831 514302001 /nfs/dbraw/zinc/30/20/01/514302001.db2.gz PVSKKECNLKBFOI-IINYFYTJSA-N 1 3 367.515 2.586 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417375517 514320097 /nfs/dbraw/zinc/32/00/97/514320097.db2.gz CAMCZRGWCZMSSD-MRXNPFEDSA-N 1 3 352.548 2.633 20 0 FFADHO Brc1ccccc1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000414860267 514328156 /nfs/dbraw/zinc/32/81/56/514328156.db2.gz CGVDLCDERVUXSF-MRXNPFEDSA-N 1 3 352.320 2.755 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414932172 514361131 /nfs/dbraw/zinc/36/11/31/514361131.db2.gz CIZHTKJQIJJJIG-ZOWXZIJZSA-N 1 3 359.392 2.890 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414932172 514361137 /nfs/dbraw/zinc/36/11/37/514361137.db2.gz CIZHTKJQIJJJIG-ZOWXZIJZSA-N 1 3 359.392 2.890 20 0 FFADHO FC(F)(F)[C@@H](CNCc1cccc(OC2CCCC2)c1)N1CC[NH2+]CC1 ZINC000414964788 514378885 /nfs/dbraw/zinc/37/88/85/514378885.db2.gz CFNVZMIVAMZFFR-GOSISDBHSA-N 1 3 371.447 2.934 20 0 FFADHO FC(F)(F)Oc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414970293 514381072 /nfs/dbraw/zinc/38/10/72/514381072.db2.gz HDQPLUSWPXTUAL-ZDUSSCGKSA-N 1 3 371.325 2.511 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)N1CCOCC1 ZINC000428222070 514426559 /nfs/dbraw/zinc/42/65/59/514426559.db2.gz VMGMEABEWNQLRE-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)NCCCSc1ccccc1)CC[NH2+]CC2 ZINC000424284624 514446740 /nfs/dbraw/zinc/44/67/40/514446740.db2.gz DJIOBDZEBDIMDG-QGZVFWFLSA-N 1 3 361.555 2.749 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000415111505 514447634 /nfs/dbraw/zinc/44/76/34/514447634.db2.gz CFMPOXYHCIOOPN-UNMCSNQZSA-N 1 3 365.521 2.800 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424298212 514450132 /nfs/dbraw/zinc/45/01/32/514450132.db2.gz UBSOYHSIQXXWMO-ZDUSSCGKSA-N 1 3 366.303 2.852 20 0 FFADHO CCN1CC[NH+](CCCCNCc2ncc(C(F)(F)F)s2)CC1 ZINC000433300090 514450689 /nfs/dbraw/zinc/45/06/89/514450689.db2.gz DFAVDOGEWCUZMB-UHFFFAOYSA-N 1 3 350.454 2.669 20 0 FFADHO FC(F)(F)c1ccnc(NCCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415125724 514455248 /nfs/dbraw/zinc/45/52/48/514455248.db2.gz SXGJNJVGCAOKGN-GJZGRUSLSA-N 1 3 365.403 2.990 20 0 FFADHO C[N@H+](C[C@H](O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433320813 514458343 /nfs/dbraw/zinc/45/83/43/514458343.db2.gz SXLBXOJKURALCQ-YJBOKZPZSA-N 1 3 367.331 2.769 20 0 FFADHO C[N@@H+](C[C@H](O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433320813 514458347 /nfs/dbraw/zinc/45/83/47/514458347.db2.gz SXLBXOJKURALCQ-YJBOKZPZSA-N 1 3 367.331 2.769 20 0 FFADHO CCC[C@H](CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415133398 514460198 /nfs/dbraw/zinc/46/01/98/514460198.db2.gz CEJZZSMUPSWZAQ-GIVPXCGWSA-N 1 3 370.541 2.790 20 0 FFADHO Cc1cccn2c(CNCC3([NH3+])CCN(Cc4ccccc4)CC3)cnc12 ZINC000415133702 514460847 /nfs/dbraw/zinc/46/08/47/514460847.db2.gz NMDCHBCMPVGQAC-UHFFFAOYSA-N 1 3 363.509 2.726 20 0 FFADHO COc1cc(C)c(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000415139879 514464621 /nfs/dbraw/zinc/46/46/21/514464621.db2.gz XKMRNNAQNNDOBD-UHFFFAOYSA-N 1 3 368.525 2.790 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439249869 514513767 /nfs/dbraw/zinc/51/37/67/514513767.db2.gz UDLIBDPBBXINPM-INIZCTEOSA-N 1 3 354.564 2.798 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453072564 514535437 /nfs/dbraw/zinc/53/54/37/514535437.db2.gz DLEOTJUHRUPPNE-YTFSRNRJSA-N 1 3 370.585 2.657 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453072566 514535987 /nfs/dbraw/zinc/53/59/87/514535987.db2.gz DLEOTJUHRUPPNE-ZRBLBEILSA-N 1 3 370.585 2.657 20 0 FFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453074311 514537505 /nfs/dbraw/zinc/53/75/05/514537505.db2.gz HDMCTQQGHDGVLR-KRWDZBQOSA-N 1 3 355.530 2.764 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cc(C)nc1C ZINC000455483023 514549684 /nfs/dbraw/zinc/54/96/84/514549684.db2.gz IUKAIAGVDHBMOY-SFHVURJKSA-N 1 3 361.534 2.887 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cc(C)nc1C ZINC000455483023 514549693 /nfs/dbraw/zinc/54/96/93/514549693.db2.gz IUKAIAGVDHBMOY-SFHVURJKSA-N 1 3 361.534 2.887 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CN(C4CC4)CCO3)[C@H]3CCC[C@H]32)cc1 ZINC000453131424 514553059 /nfs/dbraw/zinc/55/30/59/514553059.db2.gz CQGACUHOYQBNGV-BXXSPATCSA-N 1 3 369.553 2.882 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CN(C4CC4)CCO3)[C@H]3CCC[C@H]32)cc1 ZINC000453131424 514553067 /nfs/dbraw/zinc/55/30/67/514553067.db2.gz CQGACUHOYQBNGV-BXXSPATCSA-N 1 3 369.553 2.882 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000458096431 514566690 /nfs/dbraw/zinc/56/66/90/514566690.db2.gz RFQJKPGUSUWPPZ-RHSMWYFYSA-N 1 3 352.548 2.651 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000466163964 514567733 /nfs/dbraw/zinc/56/77/33/514567733.db2.gz JLWVBZCWMIWZNJ-AYHJJNSGSA-N 1 3 360.502 2.764 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000466163964 514567742 /nfs/dbraw/zinc/56/77/42/514567742.db2.gz JLWVBZCWMIWZNJ-AYHJJNSGSA-N 1 3 360.502 2.764 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475167221 514577173 /nfs/dbraw/zinc/57/71/73/514577173.db2.gz APLVJDZEKXEQLH-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475167221 514577179 /nfs/dbraw/zinc/57/71/79/514577179.db2.gz APLVJDZEKXEQLH-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CN(CCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000470750422 514592720 /nfs/dbraw/zinc/59/27/20/514592720.db2.gz WBWDGLABGSYZPC-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO CN(CCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000470750422 514592735 /nfs/dbraw/zinc/59/27/35/514592735.db2.gz WBWDGLABGSYZPC-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475281515 514603190 /nfs/dbraw/zinc/60/31/90/514603190.db2.gz POXZNZZRZHDQBK-VAMGGRTRSA-N 1 3 358.530 2.775 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000497743459 514619967 /nfs/dbraw/zinc/61/99/67/514619967.db2.gz JBIBYGUZGBDIJW-AZUAARDMSA-N 1 3 374.573 2.648 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000497743462 514620050 /nfs/dbraw/zinc/62/00/50/514620050.db2.gz JBIBYGUZGBDIJW-UYAOXDASSA-N 1 3 374.573 2.648 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000453412114 514622596 /nfs/dbraw/zinc/62/25/96/514622596.db2.gz XSMPMLYCWNSAED-HQRMLTQVSA-N 1 3 372.513 2.931 20 0 FFADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C(=O)NCCN(C)C ZINC000502365334 514626003 /nfs/dbraw/zinc/62/60/03/514626003.db2.gz KFSKUSAGXLEZII-RLLQIKCJSA-N 1 3 360.546 2.790 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000484446351 514656565 /nfs/dbraw/zinc/65/65/65/514656565.db2.gz YQYREBRPHKFTBM-QFBILLFUSA-N 1 3 364.509 2.850 20 0 FFADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1 ZINC000502498269 514670629 /nfs/dbraw/zinc/67/06/29/514670629.db2.gz VBKSLVOZHPVWLD-BRWVUGGUSA-N 1 3 369.456 2.546 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000466519744 514671803 /nfs/dbraw/zinc/67/18/03/514671803.db2.gz AUMKNGGQADTFBE-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000466525777 514675804 /nfs/dbraw/zinc/67/58/04/514675804.db2.gz IMRSIEUZQFVOJI-ZIFCJYIRSA-N 1 3 360.546 2.925 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000498113286 514766080 /nfs/dbraw/zinc/76/60/80/514766080.db2.gz ZAHUOLAQOMZPAV-SFTDATJTSA-N 1 3 370.541 2.908 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000458403430 514770768 /nfs/dbraw/zinc/77/07/68/514770768.db2.gz IQOKXXCSBXFIFJ-QAPCUYQASA-N 1 3 362.543 2.547 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000458403430 514770775 /nfs/dbraw/zinc/77/07/75/514770775.db2.gz IQOKXXCSBXFIFJ-QAPCUYQASA-N 1 3 362.543 2.547 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000484760395 514784980 /nfs/dbraw/zinc/78/49/80/514784980.db2.gz ILPIFLSRGQPIQV-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000502807913 514786548 /nfs/dbraw/zinc/78/65/48/514786548.db2.gz DTXBXMFQZIPYGA-MRXNPFEDSA-N 1 3 364.559 2.696 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000489301912 514789630 /nfs/dbraw/zinc/78/96/30/514789630.db2.gz XZFOTJZNHSHFBS-UXHICEINSA-N 1 3 372.557 2.995 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H](C)C1 ZINC000489352695 514810876 /nfs/dbraw/zinc/81/08/76/514810876.db2.gz BVABNHFYIXFNGV-CUDHKJQZSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)C1 ZINC000489352695 514810885 /nfs/dbraw/zinc/81/08/85/514810885.db2.gz BVABNHFYIXFNGV-CUDHKJQZSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455943032 514852091 /nfs/dbraw/zinc/85/20/91/514852091.db2.gz LJSROBVPUNMIKY-ZDUSSCGKSA-N 1 3 368.909 2.885 20 0 FFADHO C[C@H](CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)[NH+](C)C ZINC000455946850 514855787 /nfs/dbraw/zinc/85/57/87/514855787.db2.gz QPCRXZQRUOWDSF-CYBMUJFWSA-N 1 3 368.909 2.885 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000458512782 514859504 /nfs/dbraw/zinc/85/95/04/514859504.db2.gz ZOZRUYGGOKHELK-IBGZPJMESA-N 1 3 350.551 2.908 20 0 FFADHO C[NH+](C)CCN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000462088575 514875989 /nfs/dbraw/zinc/87/59/89/514875989.db2.gz NYKYFADTOBDHRL-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000508759331 514886605 /nfs/dbraw/zinc/88/66/05/514886605.db2.gz QGTFVWFGCZFXFT-KURKYZTESA-N 1 3 361.530 2.723 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000503050394 514898544 /nfs/dbraw/zinc/89/85/44/514898544.db2.gz KNTAYQQSUHLGKB-NHCUHLMSSA-N 1 3 351.494 2.871 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000458576508 514918096 /nfs/dbraw/zinc/91/80/96/514918096.db2.gz DMPHVBVFJNCXHV-ZIBCJSCZSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000458576508 514918105 /nfs/dbraw/zinc/91/81/05/514918105.db2.gz DMPHVBVFJNCXHV-ZIBCJSCZSA-N 1 3 370.541 2.633 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1 ZINC000498505446 514936580 /nfs/dbraw/zinc/93/65/80/514936580.db2.gz UNYGKFLCIAAQOC-LJQANCHMSA-N 1 3 374.573 2.674 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1 ZINC000498505446 514936589 /nfs/dbraw/zinc/93/65/89/514936589.db2.gz UNYGKFLCIAAQOC-LJQANCHMSA-N 1 3 374.573 2.674 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458636992 514977685 /nfs/dbraw/zinc/97/76/85/514977685.db2.gz CIEQAOFXYCMEKE-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458636992 514977697 /nfs/dbraw/zinc/97/76/97/514977697.db2.gz CIEQAOFXYCMEKE-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCCC1 ZINC000489825041 514989823 /nfs/dbraw/zinc/98/98/23/514989823.db2.gz DQDPZJSSGLRFCY-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCCC1 ZINC000489825041 514989831 /nfs/dbraw/zinc/98/98/31/514989831.db2.gz DQDPZJSSGLRFCY-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489846424 514997195 /nfs/dbraw/zinc/99/71/95/514997195.db2.gz WWWMHXVMAXKBHZ-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO CC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489846424 514997202 /nfs/dbraw/zinc/99/72/02/514997202.db2.gz WWWMHXVMAXKBHZ-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000490189158 515135201 /nfs/dbraw/zinc/13/52/01/515135201.db2.gz VOTFZOSXBKHRHJ-WAOWUJCRSA-N 1 3 372.557 2.662 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C[NH+]1CCCC1 ZINC000480972071 515156061 /nfs/dbraw/zinc/15/60/61/515156061.db2.gz PTAZMSKJYRFUQU-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000472294382 515210480 /nfs/dbraw/zinc/21/04/80/515210480.db2.gz CKAZVAPSXKVYIE-LEWJYISDSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000472294382 515210495 /nfs/dbraw/zinc/21/04/95/515210495.db2.gz CKAZVAPSXKVYIE-LEWJYISDSA-N 1 3 370.541 2.778 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000499187670 515230611 /nfs/dbraw/zinc/23/06/11/515230611.db2.gz JMGZOHSDZBCSOM-HMXCVIKNSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000499187670 515230618 /nfs/dbraw/zinc/23/06/18/515230618.db2.gz JMGZOHSDZBCSOM-HMXCVIKNSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CN1Cc1ccccc1 ZINC000499198549 515234069 /nfs/dbraw/zinc/23/40/69/515234069.db2.gz WIDREHKYKVXCTI-ZFMNYDKASA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccco1 ZINC000509571000 515236652 /nfs/dbraw/zinc/23/66/52/515236652.db2.gz RILDNZOEJMGUHE-NVXWUHKLSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1ccco1 ZINC000509576276 515241460 /nfs/dbraw/zinc/24/14/60/515241460.db2.gz DUZDSDYAEIGACR-GVDBMIGSSA-N 1 3 350.507 2.835 20 0 FFADHO C[NH+](C)CCOCCNCc1cc2ccccc2nc1N1CCCCC1 ZINC000499217025 515241800 /nfs/dbraw/zinc/24/18/00/515241800.db2.gz IIKLRBYEUCEMIF-UHFFFAOYSA-N 1 3 356.514 2.893 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462786373 515243898 /nfs/dbraw/zinc/24/38/98/515243898.db2.gz WTNZTHKRWFONBK-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccco1 ZINC000509599134 515251424 /nfs/dbraw/zinc/25/14/24/515251424.db2.gz FVFIKCQEQIRXMI-AEFFLSMTSA-N 1 3 362.518 2.979 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504295505 515265195 /nfs/dbraw/zinc/26/51/95/515265195.db2.gz KITDRKHHTZTVEQ-BRWVUGGUSA-N 1 3 362.543 2.811 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504295505 515265205 /nfs/dbraw/zinc/26/52/05/515265205.db2.gz KITDRKHHTZTVEQ-BRWVUGGUSA-N 1 3 362.543 2.811 20 0 FFADHO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459043007 515281597 /nfs/dbraw/zinc/28/15/97/515281597.db2.gz CRCRSBKYNCAIBA-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459043007 515281608 /nfs/dbraw/zinc/28/16/08/515281608.db2.gz CRCRSBKYNCAIBA-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000477052015 515303872 /nfs/dbraw/zinc/30/38/72/515303872.db2.gz XGNXYXGQXKAFSS-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO c1ccc(CCN2CCC([NH2+]CC3(N4CCCC4)CCOCC3)CC2)cc1 ZINC000463159692 515383558 /nfs/dbraw/zinc/38/35/58/515383558.db2.gz GYLOMCORSJFICN-UHFFFAOYSA-N 1 3 371.569 2.928 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000504896875 515404446 /nfs/dbraw/zinc/40/44/46/515404446.db2.gz VETMTDSCDBBLOL-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000504907583 515406572 /nfs/dbraw/zinc/40/65/72/515406572.db2.gz GGJMGRJCJJRHAC-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO COC(=O)CCCN1CCC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000463236117 515411454 /nfs/dbraw/zinc/41/14/54/515411454.db2.gz JHLKNRYXQNIVEG-QZTJIDSGSA-N 1 3 365.562 2.647 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C[C@@H]21 ZINC000454410747 515468909 /nfs/dbraw/zinc/46/89/09/515468909.db2.gz QFYWPMXFIVYIGV-RTWAWAEBSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000468709807 515481649 /nfs/dbraw/zinc/48/16/49/515481649.db2.gz ONRNDGPKPUVPIA-GASCZTMLSA-N 1 3 353.457 2.728 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NCCN(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000510319473 515501579 /nfs/dbraw/zinc/50/15/79/515501579.db2.gz QOQAWVJVEXJJIR-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NCCN(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000510319473 515501587 /nfs/dbraw/zinc/50/15/87/515501587.db2.gz QOQAWVJVEXJJIR-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NCCN(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000510319472 515502164 /nfs/dbraw/zinc/50/21/64/515502164.db2.gz QOQAWVJVEXJJIR-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NCCN(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000510319472 515502173 /nfs/dbraw/zinc/50/21/73/515502173.db2.gz QOQAWVJVEXJJIR-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000454453924 515502254 /nfs/dbraw/zinc/50/22/54/515502254.db2.gz LWBCFJPKAISNNQ-HNNXBMFYSA-N 1 3 372.504 2.670 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCN(C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326103 515504672 /nfs/dbraw/zinc/50/46/72/515504672.db2.gz VFWBIVLXCKXNDH-HOJAQTOUSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCN(C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000510326103 515504680 /nfs/dbraw/zinc/50/46/80/515504680.db2.gz VFWBIVLXCKXNDH-HOJAQTOUSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510336529 515508124 /nfs/dbraw/zinc/50/81/24/515508124.db2.gz NDXJSHHZKIGROS-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000510336529 515508131 /nfs/dbraw/zinc/50/81/31/515508131.db2.gz NDXJSHHZKIGROS-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[NH+](CCN(C)C(=O)CC1(N2CCOCC2)CCCC1)C(C)C ZINC000505410487 515525360 /nfs/dbraw/zinc/52/53/60/515525360.db2.gz VGNKYXSFSHSIDA-UHFFFAOYSA-N 1 3 353.551 2.599 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000454508416 515540240 /nfs/dbraw/zinc/54/02/40/515540240.db2.gz CAADXWQIOIPJKF-XKGZKEIXSA-N 1 3 356.514 2.558 20 0 FFADHO CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)cc(Br)c1[O-] ZINC000459430709 515546994 /nfs/dbraw/zinc/54/69/94/515546994.db2.gz QFJYKTCXIFERGX-UHFFFAOYSA-N 1 3 357.292 2.985 20 0 FFADHO CCOc1cc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)ccc1C ZINC000500036653 515568554 /nfs/dbraw/zinc/56/85/54/515568554.db2.gz RBDSEYDRCVQDON-LJQANCHMSA-N 1 3 361.530 2.882 20 0 FFADHO CCOc1cc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)ccc1C ZINC000500036653 515568563 /nfs/dbraw/zinc/56/85/63/515568563.db2.gz RBDSEYDRCVQDON-LJQANCHMSA-N 1 3 361.530 2.882 20 0 FFADHO C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1=CCN(C)CC1 ZINC000510556609 515585017 /nfs/dbraw/zinc/58/50/17/515585017.db2.gz YQHALRANHKUURH-KSZLIROESA-N 1 3 350.551 2.694 20 0 FFADHO C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1=CCN(C)CC1 ZINC000510556609 515585026 /nfs/dbraw/zinc/58/50/26/515585026.db2.gz YQHALRANHKUURH-KSZLIROESA-N 1 3 350.551 2.694 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C2CC2)C2CCCC2)[C@H](C)C1 ZINC000482153808 515589263 /nfs/dbraw/zinc/58/92/63/515589263.db2.gz BZPIKSQUQPWUHY-XLIONFOSSA-N 1 3 365.562 2.647 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000482260048 515627780 /nfs/dbraw/zinc/62/77/80/515627780.db2.gz NUSWNIFQMIKXKB-UHFFFAOYSA-N 1 3 355.526 2.892 20 0 FFADHO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCCN1C1CC1 ZINC000473511035 515640242 /nfs/dbraw/zinc/64/02/42/515640242.db2.gz GVWFFTDUVWBLKY-BCLQGDPASA-N 1 3 359.436 2.535 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000454651322 515640565 /nfs/dbraw/zinc/64/05/65/515640565.db2.gz UWYCMRHKEHKPOX-IBGZPJMESA-N 1 3 372.557 2.882 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000505726104 515645680 /nfs/dbraw/zinc/64/56/80/515645680.db2.gz PCSCIZAGBLWRQE-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000505726104 515645689 /nfs/dbraw/zinc/64/56/89/515645689.db2.gz PCSCIZAGBLWRQE-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000493809180 515666388 /nfs/dbraw/zinc/66/63/88/515666388.db2.gz LDYHUTNWQXWVCL-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000493809180 515666396 /nfs/dbraw/zinc/66/63/96/515666396.db2.gz LDYHUTNWQXWVCL-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000510779105 515666555 /nfs/dbraw/zinc/66/65/55/515666555.db2.gz JUPFJAWWUOEVPV-DLBZAZTESA-N 1 3 362.518 2.869 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000510779105 515666565 /nfs/dbraw/zinc/66/65/65/515666565.db2.gz JUPFJAWWUOEVPV-DLBZAZTESA-N 1 3 362.518 2.869 20 0 FFADHO c1ccc2c(c1)CC[C@@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CO2 ZINC000493824675 515667256 /nfs/dbraw/zinc/66/72/56/515667256.db2.gz TZQJASBXOVVIGZ-HXUWFJFHSA-N 1 3 366.509 2.577 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccc(F)c1F ZINC000505778401 515668379 /nfs/dbraw/zinc/66/83/79/515668379.db2.gz MGZKLXMPQXCNSN-KRWDZBQOSA-N 1 3 367.484 2.772 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccc(F)c1F ZINC000505778401 515668389 /nfs/dbraw/zinc/66/83/89/515668389.db2.gz MGZKLXMPQXCNSN-KRWDZBQOSA-N 1 3 367.484 2.772 20 0 FFADHO Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1(O)CCN(C)CC1)CC2 ZINC000493917745 515686058 /nfs/dbraw/zinc/68/60/58/515686058.db2.gz UOPONBHRKQZURA-HNNXBMFYSA-N 1 3 353.304 2.791 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000457382355 515839390 /nfs/dbraw/zinc/83/93/90/515839390.db2.gz RLXKEEKTWPYTRR-UHFFFAOYSA-N 1 3 352.482 2.605 20 0 FFADHO Cc1nccn1CCN(C)[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1ccnc1C ZINC000464477480 515841193 /nfs/dbraw/zinc/84/11/93/515841193.db2.gz APXAIZCIKDHHEZ-BGYRXZFFSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCN(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCn1ccnc1C ZINC000464477480 515841200 /nfs/dbraw/zinc/84/12/00/515841200.db2.gz APXAIZCIKDHHEZ-BGYRXZFFSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCN(C)[C@H]1CCCC[C@H]1[N@H+](C)CCn1ccnc1C ZINC000464477480 515841207 /nfs/dbraw/zinc/84/12/07/515841207.db2.gz APXAIZCIKDHHEZ-BGYRXZFFSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CCn1ccnc1C ZINC000464477480 515841212 /nfs/dbraw/zinc/84/12/12/515841212.db2.gz APXAIZCIKDHHEZ-BGYRXZFFSA-N 1 3 358.534 2.571 20 0 FFADHO C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1=CCN(C)CC1 ZINC000511251346 515841433 /nfs/dbraw/zinc/84/14/33/515841433.db2.gz ITKQLTSDLXKLSZ-GOSISDBHSA-N 1 3 362.562 2.934 20 0 FFADHO CC[C@H]1CN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000494440442 515844509 /nfs/dbraw/zinc/84/45/09/515844509.db2.gz XPFRRAVXQHNELI-LRSLUSHPSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@H]1CN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000494440442 515844521 /nfs/dbraw/zinc/84/45/21/515844521.db2.gz XPFRRAVXQHNELI-LRSLUSHPSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000494681712 515921793 /nfs/dbraw/zinc/92/17/93/515921793.db2.gz UROCMZMUQQVXHP-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(CC[C@H]1CCC[NH2+]1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000494699311 515930274 /nfs/dbraw/zinc/93/02/74/515930274.db2.gz NKSQKADMRMDKGH-HXUWFJFHSA-N 1 3 373.541 2.706 20 0 FFADHO CC(C)[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCN1C ZINC000487639688 515933186 /nfs/dbraw/zinc/93/31/86/515933186.db2.gz LXFKNBSURIELKX-DLBZAZTESA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CCC[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000483144246 515949962 /nfs/dbraw/zinc/94/99/62/515949962.db2.gz BMMKTQFJIXYWEC-KZNAEPCWSA-N 1 3 364.578 2.917 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000494758420 515950866 /nfs/dbraw/zinc/95/08/66/515950866.db2.gz QMURYMZOFSWNAG-LEWJYISDSA-N 1 3 352.478 2.737 20 0 FFADHO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501048456 515952230 /nfs/dbraw/zinc/95/22/30/515952230.db2.gz HFQSNUMTSFIYHK-NRFANRHFSA-N 1 3 369.509 2.978 20 0 FFADHO Cc1ccccc1OC[C@@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501048456 515952236 /nfs/dbraw/zinc/95/22/36/515952236.db2.gz HFQSNUMTSFIYHK-NRFANRHFSA-N 1 3 369.509 2.978 20 0 FFADHO Cc1cc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc2cccnc12 ZINC000469861414 516004219 /nfs/dbraw/zinc/00/42/19/516004219.db2.gz WUJGGOUOWPJGCZ-YLJYHZDGSA-N 1 3 366.509 2.623 20 0 FFADHO C(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000487921940 516032850 /nfs/dbraw/zinc/03/28/50/516032850.db2.gz WYCXJNCXMKQBCV-PLACYPQZSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000487921940 516032859 /nfs/dbraw/zinc/03/28/59/516032859.db2.gz WYCXJNCXMKQBCV-PLACYPQZSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000487921940 516032865 /nfs/dbraw/zinc/03/28/65/516032865.db2.gz WYCXJNCXMKQBCV-PLACYPQZSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000487921940 516032872 /nfs/dbraw/zinc/03/28/72/516032872.db2.gz WYCXJNCXMKQBCV-PLACYPQZSA-N 1 3 350.547 2.874 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457653406 516042342 /nfs/dbraw/zinc/04/23/42/516042342.db2.gz HRJMRDNCJFWQDZ-KRWDZBQOSA-N 1 3 370.541 2.988 20 0 FFADHO CCC[NH+]1CCC(CN[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479063768 516044496 /nfs/dbraw/zinc/04/44/96/516044496.db2.gz PIFBOJFNGMSBLU-INIZCTEOSA-N 1 3 367.559 2.723 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC(C)(C)C[NH+]2CCCC2)o1 ZINC000479068321 516044729 /nfs/dbraw/zinc/04/47/29/516044729.db2.gz YWQLUVVIDLAARF-UHFFFAOYSA-N 1 3 364.534 2.783 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000469981680 516058573 /nfs/dbraw/zinc/05/85/73/516058573.db2.gz LERSEXDAIQDUAI-HDICACEKSA-N 1 3 359.514 2.650 20 0 FFADHO C[C@@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCN(C2CC2)C1 ZINC000457702912 516082068 /nfs/dbraw/zinc/08/20/68/516082068.db2.gz RZVAXCVEHZDLBN-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCN(C2CC2)C1 ZINC000457702912 516082075 /nfs/dbraw/zinc/08/20/75/516082075.db2.gz RZVAXCVEHZDLBN-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000488043641 516093470 /nfs/dbraw/zinc/09/34/70/516093470.db2.gz NWXAKULEXYTFMJ-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000488043641 516093479 /nfs/dbraw/zinc/09/34/79/516093479.db2.gz NWXAKULEXYTFMJ-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)Cc1ccccc1 ZINC000479186658 516095071 /nfs/dbraw/zinc/09/50/71/516095071.db2.gz IWDLZVVJFBTXLR-NHCUHLMSSA-N 1 3 371.500 2.937 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1sc(C)nc1C ZINC000465242021 516104145 /nfs/dbraw/zinc/10/41/45/516104145.db2.gz KVCCYYLXJFCUIJ-HNNXBMFYSA-N 1 3 353.536 2.640 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1sc(C)nc1C ZINC000465242021 516104153 /nfs/dbraw/zinc/10/41/53/516104153.db2.gz KVCCYYLXJFCUIJ-HNNXBMFYSA-N 1 3 353.536 2.640 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457736160 516108539 /nfs/dbraw/zinc/10/85/39/516108539.db2.gz LZCFKJFZGCABFG-ZVDOUQERSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457736160 516108547 /nfs/dbraw/zinc/10/85/47/516108547.db2.gz LZCFKJFZGCABFG-ZVDOUQERSA-N 1 3 364.578 2.872 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000457748274 516118628 /nfs/dbraw/zinc/11/86/28/516118628.db2.gz MFIUJXOABMPZAQ-RBBKRZOGSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000457748274 516118641 /nfs/dbraw/zinc/11/86/41/516118641.db2.gz MFIUJXOABMPZAQ-RBBKRZOGSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000501523988 516139341 /nfs/dbraw/zinc/13/93/41/516139341.db2.gz VGQUTGOBBYGUGM-GUDVDZBRSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000501533484 516142037 /nfs/dbraw/zinc/14/20/37/516142037.db2.gz QUVXCRLNICXXQW-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000501533484 516142042 /nfs/dbraw/zinc/14/20/42/516142042.db2.gz QUVXCRLNICXXQW-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465425926 516149839 /nfs/dbraw/zinc/14/98/39/516149839.db2.gz CGKUPWZDSFTDDW-NHCUHLMSSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465425926 516149847 /nfs/dbraw/zinc/14/98/47/516149847.db2.gz CGKUPWZDSFTDDW-NHCUHLMSSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479335371 516154648 /nfs/dbraw/zinc/15/46/48/516154648.db2.gz LWBBQXXKMCGPTG-NRFANRHFSA-N 1 3 367.541 2.865 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000465531121 516182076 /nfs/dbraw/zinc/18/20/76/516182076.db2.gz WTKNCKYPILYUEG-UIFIKXQLSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000465531121 516182084 /nfs/dbraw/zinc/18/20/84/516182084.db2.gz WTKNCKYPILYUEG-UIFIKXQLSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)N1CCc2ccccc2C1 ZINC000465537334 516185668 /nfs/dbraw/zinc/18/56/68/516185668.db2.gz BYTIUXLCWAHQTF-RTWAWAEBSA-N 1 3 372.557 2.949 20 0 FFADHO CS[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1N(C)C ZINC000495581089 516190800 /nfs/dbraw/zinc/19/08/00/516190800.db2.gz UFOXFMMDBYAZHP-RTBURBONSA-N 1 3 361.555 2.790 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1 ZINC000483729960 516192260 /nfs/dbraw/zinc/19/22/60/516192260.db2.gz QOUSEEIYJRKMHP-KNQAVFIVSA-N 1 3 373.585 2.812 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCCC[C@@H]1C)CC2 ZINC000465553934 516193472 /nfs/dbraw/zinc/19/34/72/516193472.db2.gz XGNAYIMNQVHFPI-MANSERQUSA-N 1 3 350.551 2.906 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCCC[C@@H]1C)CC2 ZINC000465553934 516193477 /nfs/dbraw/zinc/19/34/77/516193477.db2.gz XGNAYIMNQVHFPI-MANSERQUSA-N 1 3 350.551 2.906 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)C[NH+]1CCCC1 ZINC000457876394 516203457 /nfs/dbraw/zinc/20/34/57/516203457.db2.gz GQORICPDALLNOI-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483767055 516205459 /nfs/dbraw/zinc/20/54/59/516205459.db2.gz CCHALNDPOFTALI-CALCHBBNSA-N 1 3 350.551 2.956 20 0 FFADHO CCC[C@]1([NH2+]CC(=O)N2CCCN(Cc3ccccc3C)CC2)CCOC1 ZINC000512262435 516215657 /nfs/dbraw/zinc/21/56/57/516215657.db2.gz PZVDYUIBCXEXFE-QFIPXVFZSA-N 1 3 373.541 2.578 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000470362574 516219537 /nfs/dbraw/zinc/21/95/37/516219537.db2.gz FKLNIAIBGSFPCI-UHFFFAOYSA-N 1 3 367.493 2.940 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000512289756 516227612 /nfs/dbraw/zinc/22/76/12/516227612.db2.gz USZLEQSMHMMEJS-MALNDZBISA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000512289756 516227622 /nfs/dbraw/zinc/22/76/22/516227622.db2.gz USZLEQSMHMMEJS-MALNDZBISA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000512289756 516227630 /nfs/dbraw/zinc/22/76/30/516227630.db2.gz USZLEQSMHMMEJS-MALNDZBISA-N 1 3 369.553 2.740 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512321337 516238638 /nfs/dbraw/zinc/23/86/38/516238638.db2.gz GUXSUXGVSQNTRV-GOSISDBHSA-N 1 3 367.484 2.992 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512321337 516238641 /nfs/dbraw/zinc/23/86/41/516238641.db2.gz GUXSUXGVSQNTRV-GOSISDBHSA-N 1 3 367.484 2.992 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483904554 516241198 /nfs/dbraw/zinc/24/11/98/516241198.db2.gz GFUGRMAEXHOEFW-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457940909 516243315 /nfs/dbraw/zinc/24/33/15/516243315.db2.gz WNMRRFCPZQADCN-UEXGIBASSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457940909 516243321 /nfs/dbraw/zinc/24/33/21/516243321.db2.gz WNMRRFCPZQADCN-UEXGIBASSA-N 1 3 364.578 2.870 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000465761775 516250279 /nfs/dbraw/zinc/25/02/79/516250279.db2.gz SFGCAFUSIROZTP-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000465762783 516252186 /nfs/dbraw/zinc/25/21/86/516252186.db2.gz USTZUFTXOWLDLY-LCLWPZTBSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000465762783 516252193 /nfs/dbraw/zinc/25/21/93/516252193.db2.gz USTZUFTXOWLDLY-LCLWPZTBSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N(C)Cc1ccccc1 ZINC000496631728 516271888 /nfs/dbraw/zinc/27/18/88/516271888.db2.gz MAIHOBIQLIZASU-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1ccccc1 ZINC000535435390 516354244 /nfs/dbraw/zinc/35/42/44/516354244.db2.gz JTZICXMGFXKQNK-RTBURBONSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccccc1 ZINC000535435390 516354247 /nfs/dbraw/zinc/35/42/47/516354247.db2.gz JTZICXMGFXKQNK-RTBURBONSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517541690 516355957 /nfs/dbraw/zinc/35/59/57/516355957.db2.gz PYWSAIFMJUYPAR-HDICACEKSA-N 1 3 354.583 2.972 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517541690 516355963 /nfs/dbraw/zinc/35/59/63/516355963.db2.gz PYWSAIFMJUYPAR-HDICACEKSA-N 1 3 354.583 2.972 20 0 FFADHO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)[C@@H]1c1ccccc1 ZINC000561060082 516358252 /nfs/dbraw/zinc/35/82/52/516358252.db2.gz CMKCJXLMFGRNKC-ICSRJNTNSA-N 1 3 366.465 2.736 20 0 FFADHO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)[C@@H]1c1ccccc1 ZINC000561060082 516358258 /nfs/dbraw/zinc/35/82/58/516358258.db2.gz CMKCJXLMFGRNKC-ICSRJNTNSA-N 1 3 366.465 2.736 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000517543506 516358227 /nfs/dbraw/zinc/35/82/27/516358227.db2.gz GFTDUCXTVQKPII-PKOBYXMFSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)N(C)C)cc1 ZINC000512801771 516364190 /nfs/dbraw/zinc/36/41/90/516364190.db2.gz IAOJPTHTNNXECA-HXUWFJFHSA-N 1 3 374.529 2.566 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)N2CCCC2)cc1 ZINC000561151658 516409721 /nfs/dbraw/zinc/40/97/21/516409721.db2.gz OIQBNVYASKEDTJ-IRLDBZIGSA-N 1 3 370.541 2.917 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000531357914 516428487 /nfs/dbraw/zinc/42/84/87/516428487.db2.gz PRHASBRVVOFWNQ-UHFFFAOYSA-N 1 3 369.509 2.831 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3cccnc3)CC2)CC1 ZINC000561197596 516443629 /nfs/dbraw/zinc/44/36/29/516443629.db2.gz HNZOTMBDMJGABB-QGZVFWFLSA-N 1 3 358.530 2.797 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000523352922 516447449 /nfs/dbraw/zinc/44/74/49/516447449.db2.gz VBUCTYIUYXHMCR-IBGZPJMESA-N 1 3 372.557 2.677 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000523352922 516447457 /nfs/dbraw/zinc/44/74/57/516447457.db2.gz VBUCTYIUYXHMCR-IBGZPJMESA-N 1 3 372.557 2.677 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000561202033 516447983 /nfs/dbraw/zinc/44/79/83/516447983.db2.gz QKAHWAABHASRFP-ITTUMRLJSA-N 1 3 370.541 2.728 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000535811999 516518189 /nfs/dbraw/zinc/51/81/89/516518189.db2.gz ZIXTXUAWJGEWHN-UHFFFAOYSA-N 1 3 361.530 2.706 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000535811999 516518211 /nfs/dbraw/zinc/51/82/11/516518211.db2.gz ZIXTXUAWJGEWHN-UHFFFAOYSA-N 1 3 361.530 2.706 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547733165 516527449 /nfs/dbraw/zinc/52/74/49/516527449.db2.gz NXJHPMZGQATSOJ-UHFFFAOYSA-N 1 3 353.551 2.647 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547733165 516527458 /nfs/dbraw/zinc/52/74/58/516527458.db2.gz NXJHPMZGQATSOJ-UHFFFAOYSA-N 1 3 353.551 2.647 20 0 FFADHO CS[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1N1CCCC1 ZINC000547736787 516531399 /nfs/dbraw/zinc/53/13/99/516531399.db2.gz UWJHUGGOBWEVEI-QZTJIDSGSA-N 1 3 353.576 2.679 20 0 FFADHO CS[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1N1CCCC1 ZINC000547736787 516531407 /nfs/dbraw/zinc/53/14/07/516531407.db2.gz UWJHUGGOBWEVEI-QZTJIDSGSA-N 1 3 353.576 2.679 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000561342166 516531945 /nfs/dbraw/zinc/53/19/45/516531945.db2.gz IAFQUFVPFALCMW-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000561342166 516531953 /nfs/dbraw/zinc/53/19/53/516531953.db2.gz IAFQUFVPFALCMW-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000554622392 516549713 /nfs/dbraw/zinc/54/97/13/516549713.db2.gz PXAKVWJMYFWZRL-HOJAQTOUSA-N 1 3 356.514 2.529 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CSc2ccccc21 ZINC000524024624 516630439 /nfs/dbraw/zinc/63/04/39/516630439.db2.gz NGGJINJAQWIOMK-FUHWJXTLSA-N 1 3 361.555 2.750 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CSc2ccccc21 ZINC000524024624 516630443 /nfs/dbraw/zinc/63/04/43/516630443.db2.gz NGGJINJAQWIOMK-FUHWJXTLSA-N 1 3 361.555 2.750 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551264291 516631048 /nfs/dbraw/zinc/63/10/48/516631048.db2.gz XRMBEWJBZBUJMO-FCEUIQTBSA-N 1 3 371.569 2.845 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528713444 516638729 /nfs/dbraw/zinc/63/87/29/516638729.db2.gz GQCOLYKGWBSKJJ-UHFFFAOYSA-N 1 3 360.502 2.753 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528713444 516638735 /nfs/dbraw/zinc/63/87/35/516638735.db2.gz GQCOLYKGWBSKJJ-UHFFFAOYSA-N 1 3 360.502 2.753 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000528715107 516640549 /nfs/dbraw/zinc/64/05/49/516640549.db2.gz UYWHMSQKLDTUOD-UHFFFAOYSA-N 1 3 372.513 2.945 20 0 FFADHO CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CN2CCC1CC2 ZINC000518434876 516657418 /nfs/dbraw/zinc/65/74/18/516657418.db2.gz TXROAMWMWLKHQT-QUCCMNQESA-N 1 3 359.489 2.590 20 0 FFADHO CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H]1CN2CCC1CC2 ZINC000518434876 516657427 /nfs/dbraw/zinc/65/74/27/516657427.db2.gz TXROAMWMWLKHQT-QUCCMNQESA-N 1 3 359.489 2.590 20 0 FFADHO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CN2CCC1CC2 ZINC000518434876 516657437 /nfs/dbraw/zinc/65/74/37/516657437.db2.gz TXROAMWMWLKHQT-QUCCMNQESA-N 1 3 359.489 2.590 20 0 FFADHO CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@H]1n1cccn1 ZINC000551320585 516658450 /nfs/dbraw/zinc/65/84/50/516658450.db2.gz SSBKJTQHONWFFG-VRXWPRPYSA-N 1 3 372.513 2.893 20 0 FFADHO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCN(C)C)c1 ZINC000554933912 516706262 /nfs/dbraw/zinc/70/62/62/516706262.db2.gz IEUZETXLCAQTCT-YADHBBJMSA-N 1 3 365.521 2.888 20 0 FFADHO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCN(C)C)c1 ZINC000554933912 516706269 /nfs/dbraw/zinc/70/62/69/516706269.db2.gz IEUZETXLCAQTCT-YADHBBJMSA-N 1 3 365.521 2.888 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000518628919 516729842 /nfs/dbraw/zinc/72/98/42/516729842.db2.gz UFLKTRKCBQPCTH-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000518712379 516748709 /nfs/dbraw/zinc/74/87/09/516748709.db2.gz QGEAUFKVPLSLQP-QZTJIDSGSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000518712379 516748718 /nfs/dbraw/zinc/74/87/18/516748718.db2.gz QGEAUFKVPLSLQP-QZTJIDSGSA-N 1 3 373.545 2.638 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000551645693 516801190 /nfs/dbraw/zinc/80/11/90/516801190.db2.gz XNMBVZLNRMROJC-HXUWFJFHSA-N 1 3 370.541 2.777 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000551645693 516801198 /nfs/dbraw/zinc/80/11/98/516801198.db2.gz XNMBVZLNRMROJC-HXUWFJFHSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)(C)[C@@H](CO)NCc1cc(C[NH2+][C@H](CO)C(C)(C)C)ccc1F ZINC000518902557 516815993 /nfs/dbraw/zinc/81/59/93/516815993.db2.gz XFSIEAUPPYRPMO-QZTJIDSGSA-N 1 3 354.510 2.819 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000544624116 516840966 /nfs/dbraw/zinc/84/09/66/516840966.db2.gz WVBKJTKUJCLSCT-VQIMIIECSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000514201693 516901499 /nfs/dbraw/zinc/90/14/99/516901499.db2.gz LBOPVYACEHZICA-ICSRJNTNSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000514201693 516901506 /nfs/dbraw/zinc/90/15/06/516901506.db2.gz LBOPVYACEHZICA-ICSRJNTNSA-N 1 3 374.573 2.969 20 0 FFADHO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000548333775 516908417 /nfs/dbraw/zinc/90/84/17/516908417.db2.gz ZJIBYIPGROUVTB-FQEVSTJZSA-N 1 3 360.546 2.932 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514242422 516923811 /nfs/dbraw/zinc/92/38/11/516923811.db2.gz RTHIGUOWAJJANE-HBFSDRIKSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514242422 516923820 /nfs/dbraw/zinc/92/38/20/516923820.db2.gz RTHIGUOWAJJANE-HBFSDRIKSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)C1(CNC(=O)CC[N@H+](C)C2CCCCC2)Cc2ccccc2C1 ZINC000548389542 516953110 /nfs/dbraw/zinc/95/31/10/516953110.db2.gz IEDDOITVEDZOTD-UHFFFAOYSA-N 1 3 357.542 2.856 20 0 FFADHO CN(C)C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)Cc2ccccc2C1 ZINC000548389542 516953122 /nfs/dbraw/zinc/95/31/22/516953122.db2.gz IEDDOITVEDZOTD-UHFFFAOYSA-N 1 3 357.542 2.856 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000555536432 516960192 /nfs/dbraw/zinc/96/01/92/516960192.db2.gz KCJGSADDXWXPME-UHFFFAOYSA-N 1 3 359.514 2.575 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000555536432 516960196 /nfs/dbraw/zinc/96/01/96/516960196.db2.gz KCJGSADDXWXPME-UHFFFAOYSA-N 1 3 359.514 2.575 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000519360802 516970685 /nfs/dbraw/zinc/97/06/85/516970685.db2.gz YMNDCGLYMHYNFT-MSOLQXFVSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000519360805 516971251 /nfs/dbraw/zinc/97/12/51/516971251.db2.gz YMNDCGLYMHYNFT-ZWKOTPCHSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000536947164 516990560 /nfs/dbraw/zinc/99/05/60/516990560.db2.gz LWERQBXJPHHVFE-HZPDHXFCSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000536947164 516990566 /nfs/dbraw/zinc/99/05/66/516990566.db2.gz LWERQBXJPHHVFE-HZPDHXFCSA-N 1 3 353.532 2.639 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)c3ccccc3C[NH+](C)C)cc2)CC1 ZINC000558904264 516997673 /nfs/dbraw/zinc/99/76/73/516997673.db2.gz JRRMAGTXNAXIOA-UHFFFAOYSA-N 1 3 366.509 2.748 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000562294813 517013650 /nfs/dbraw/zinc/01/36/50/517013650.db2.gz LBGYETRVSDFYSC-YZGWKJHDSA-N 1 3 373.545 2.560 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000562294813 517013659 /nfs/dbraw/zinc/01/36/59/517013659.db2.gz LBGYETRVSDFYSC-YZGWKJHDSA-N 1 3 373.545 2.560 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000525450771 517043455 /nfs/dbraw/zinc/04/34/55/517043455.db2.gz WYWWPXUAXQCMMV-UHFFFAOYSA-N 1 3 368.953 2.752 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532590028 517048861 /nfs/dbraw/zinc/04/88/61/517048861.db2.gz OWWIKNNQOARLJK-LEWJYISDSA-N 1 3 372.557 2.778 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532590028 517048872 /nfs/dbraw/zinc/04/88/72/517048872.db2.gz OWWIKNNQOARLJK-LEWJYISDSA-N 1 3 372.557 2.778 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)N1CCCCC1 ZINC000532595092 517053137 /nfs/dbraw/zinc/05/31/37/517053137.db2.gz LPFGRHJMGDPCML-ICSRJNTNSA-N 1 3 373.545 2.671 20 0 FFADHO Cc1nn(-c2ccncc2)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000541534738 517099879 /nfs/dbraw/zinc/09/98/79/517099879.db2.gz VQRXGJGDQGMHKH-UHFFFAOYSA-N 1 3 369.513 2.653 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529364060 517103643 /nfs/dbraw/zinc/10/36/43/517103643.db2.gz XLRYDZBEHVLJKA-UXHICEINSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529363287 517104252 /nfs/dbraw/zinc/10/42/52/517104252.db2.gz URYJBSBMHMSRJV-RLLQIKCJSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000532795122 517147284 /nfs/dbraw/zinc/14/72/84/517147284.db2.gz QYKJDSTUUGAGDE-GIVPXCGWSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000532795122 517147290 /nfs/dbraw/zinc/14/72/90/517147290.db2.gz QYKJDSTUUGAGDE-GIVPXCGWSA-N 1 3 372.557 2.928 20 0 FFADHO O=C(C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)NCCN1CCCCCC1 ZINC000552278604 517174950 /nfs/dbraw/zinc/17/49/50/517174950.db2.gz HWRFDFOAFLBVHL-UYAOXDASSA-N 1 3 358.530 2.690 20 0 FFADHO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000519808989 517194759 /nfs/dbraw/zinc/19/47/59/517194759.db2.gz FPFSAHAVLDELIX-QGZVFWFLSA-N 1 3 360.502 2.754 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000519829039 517207057 /nfs/dbraw/zinc/20/70/57/517207057.db2.gz SUKQUZJVGQCOOK-QIJUGHKUSA-N 1 3 365.521 2.973 20 0 FFADHO C[NH+](C)CC1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCCC1 ZINC000545427808 517234840 /nfs/dbraw/zinc/23/48/40/517234840.db2.gz MNEFSYLKWYWGAT-LJQANCHMSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC(F)(F)C1 ZINC000529608726 517237620 /nfs/dbraw/zinc/23/76/20/517237620.db2.gz XFKADHMPNYFGGN-AWEZNQCLSA-N 1 3 365.468 2.907 20 0 FFADHO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1N1CCN(C)CC1 ZINC000537622062 517265686 /nfs/dbraw/zinc/26/56/86/517265686.db2.gz NNNYBAQNMJRTAW-RDJZCZTQSA-N 1 3 359.543 2.596 20 0 FFADHO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1N1CCN(C)CC1 ZINC000537622062 517265693 /nfs/dbraw/zinc/26/56/93/517265693.db2.gz NNNYBAQNMJRTAW-RDJZCZTQSA-N 1 3 359.543 2.596 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000533046958 517267891 /nfs/dbraw/zinc/26/78/91/517267891.db2.gz MQYBRQAFTXFNTO-SFTDATJTSA-N 1 3 372.557 2.920 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000533046958 517267896 /nfs/dbraw/zinc/26/78/96/517267896.db2.gz MQYBRQAFTXFNTO-SFTDATJTSA-N 1 3 372.557 2.920 20 0 FFADHO C[C@H](CC[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)N1CCCCC1 ZINC000556173735 517298456 /nfs/dbraw/zinc/29/84/56/517298456.db2.gz YSQALMIBYPDERS-BEFAXECRSA-N 1 3 365.543 2.566 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000526110712 517347300 /nfs/dbraw/zinc/34/73/00/517347300.db2.gz PZDAUOOIIRDZOT-VQTJNVASSA-N 1 3 360.546 2.533 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000526110713 517348103 /nfs/dbraw/zinc/34/81/03/517348103.db2.gz PZDAUOOIIRDZOT-WOJBJXKFSA-N 1 3 360.546 2.533 20 0 FFADHO Cn1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(-c2ccccc2)n1 ZINC000562751448 517367757 /nfs/dbraw/zinc/36/77/57/517367757.db2.gz ZUCFDRKVOOHIFV-UXHICEINSA-N 1 3 354.498 2.805 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000515483314 517372369 /nfs/dbraw/zinc/37/23/69/517372369.db2.gz KPWKFHMEYMKHBD-XMTFNYHQSA-N 1 3 351.560 2.863 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])N(C)C)cc1 ZINC000520404270 517382769 /nfs/dbraw/zinc/38/27/69/517382769.db2.gz YTWQTRKZYKZCAS-LEWJYISDSA-N 1 3 366.509 2.865 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000559752354 517410369 /nfs/dbraw/zinc/41/03/69/517410369.db2.gz GBFTZJMHMSXBIR-FQEVSTJZSA-N 1 3 370.493 2.737 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1CC1 ZINC000549176355 517439405 /nfs/dbraw/zinc/43/94/05/517439405.db2.gz NZUCAASABQMYOW-KRWDZBQOSA-N 1 3 352.910 2.726 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C1CC1 ZINC000549176355 517439414 /nfs/dbraw/zinc/43/94/14/517439414.db2.gz NZUCAASABQMYOW-KRWDZBQOSA-N 1 3 352.910 2.726 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(OC(C)C)CC3)CC2)CC1 ZINC000515667587 517443165 /nfs/dbraw/zinc/44/31/65/517443165.db2.gz NXDDRAOGXBJBBM-UHFFFAOYSA-N 1 3 365.562 2.599 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000542252171 517463864 /nfs/dbraw/zinc/46/38/64/517463864.db2.gz BWUBCCCVLLRXDB-MRXNPFEDSA-N 1 3 350.551 2.623 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562942500 517518835 /nfs/dbraw/zinc/51/88/35/517518835.db2.gz FOXSACJTYUDXCS-WDSOQIARSA-N 1 3 362.562 2.765 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000562942500 517518841 /nfs/dbraw/zinc/51/88/41/517518841.db2.gz FOXSACJTYUDXCS-WDSOQIARSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000549502182 517591535 /nfs/dbraw/zinc/59/15/35/517591535.db2.gz YBBDJHKWZGXFKT-RPVQJOFSSA-N 1 3 364.921 2.867 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000549502182 517591548 /nfs/dbraw/zinc/59/15/48/517591548.db2.gz YBBDJHKWZGXFKT-RPVQJOFSSA-N 1 3 364.921 2.867 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C[C@H](C)O1 ZINC000533740675 517594076 /nfs/dbraw/zinc/59/40/76/517594076.db2.gz PJIKSPCBWPFYIU-UXLLHSPISA-N 1 3 353.532 2.974 20 0 FFADHO Cc1cc([C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)ccc1F ZINC000553284313 517623319 /nfs/dbraw/zinc/62/33/19/517623319.db2.gz SMJREKPDJPQUHS-OAQYLSRUSA-N 1 3 359.489 2.918 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516244175 517633475 /nfs/dbraw/zinc/63/34/75/517633475.db2.gz AUYVRRAKWPBLFG-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO COc1cc2c(c(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000530248454 517654657 /nfs/dbraw/zinc/65/46/57/517654657.db2.gz KUJUJVPNHVPAIG-BEFAXECRSA-N 1 3 360.498 2.609 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000553396612 517689464 /nfs/dbraw/zinc/68/94/64/517689464.db2.gz AUCRWGLRAJWYKS-NQIIRXRSSA-N 1 3 370.541 2.703 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@H]2CCCCN2CC(C)C)CC1 ZINC000546623154 517760505 /nfs/dbraw/zinc/76/05/05/517760505.db2.gz BFRYTEVWKCCTSI-LJQANCHMSA-N 1 3 353.551 2.504 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1 ZINC000521585701 517785674 /nfs/dbraw/zinc/78/56/74/517785674.db2.gz UXRKHOHAAIMCHT-HKUYNNGSSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1ncsc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000516687908 517808743 /nfs/dbraw/zinc/80/87/43/517808743.db2.gz HNIKERUMOJENRV-UHFFFAOYSA-N 1 3 364.559 2.656 20 0 FFADHO COc1cc(CNCCN2CCC([NH+](C)C)CC2)cc(C(F)(F)F)c1 ZINC000527669218 517832707 /nfs/dbraw/zinc/83/27/07/517832707.db2.gz HQCDLYBBMYZSSU-UHFFFAOYSA-N 1 3 359.436 2.830 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000521697281 517833009 /nfs/dbraw/zinc/83/30/09/517833009.db2.gz FMSJOPNEWZSVFQ-ZSYWTGECSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000521697281 517833021 /nfs/dbraw/zinc/83/30/21/517833021.db2.gz FMSJOPNEWZSVFQ-ZSYWTGECSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc2cccc(F)c2o1 ZINC000530544352 517840912 /nfs/dbraw/zinc/84/09/12/517840912.db2.gz KTSHXKGMCLPKHA-CQSZACIVSA-N 1 3 364.465 2.768 20 0 FFADHO C[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000557137738 517874551 /nfs/dbraw/zinc/87/45/51/517874551.db2.gz FCUSMAXHDNGNMO-QZTJIDSGSA-N 1 3 358.530 2.860 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCCC2 ZINC000530641420 517894940 /nfs/dbraw/zinc/89/49/40/517894940.db2.gz TXHUZPONVMNXHM-UHFFFAOYSA-N 1 3 351.560 2.973 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000557225890 517926847 /nfs/dbraw/zinc/92/68/47/517926847.db2.gz BAEBONOLXKLTSC-CTNGQTDRSA-N 1 3 352.482 2.577 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000557225890 517926857 /nfs/dbraw/zinc/92/68/57/517926857.db2.gz BAEBONOLXKLTSC-CTNGQTDRSA-N 1 3 352.482 2.577 20 0 FFADHO CN1CCO[C@H]([C@H](NC[C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)C1 ZINC000516964432 517947461 /nfs/dbraw/zinc/94/74/61/517947461.db2.gz NOIHIUACYMJVSB-DQEVTTJGSA-N 1 3 351.922 2.819 20 0 FFADHO C[C@H](CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCCCC1 ZINC000543383110 518059219 /nfs/dbraw/zinc/05/92/19/518059219.db2.gz QOBRMWQULXLOBV-QUCCMNQESA-N 1 3 358.530 2.674 20 0 FFADHO C[N@H+](CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCCC1 ZINC000522276223 518059858 /nfs/dbraw/zinc/05/98/58/518059858.db2.gz VVWIJSOUCRRPSB-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCCC1 ZINC000522276223 518059870 /nfs/dbraw/zinc/05/98/70/518059870.db2.gz VVWIJSOUCRRPSB-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000522288273 518066965 /nfs/dbraw/zinc/06/69/65/518066965.db2.gz VFUKKAYFWJMZFQ-GOSISDBHSA-N 1 3 356.514 2.964 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000522288273 518066976 /nfs/dbraw/zinc/06/69/76/518066976.db2.gz VFUKKAYFWJMZFQ-GOSISDBHSA-N 1 3 356.514 2.964 20 0 FFADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000560986254 518110402 /nfs/dbraw/zinc/11/04/02/518110402.db2.gz RBXSLAILDVKFPM-SFHVURJKSA-N 1 3 360.502 2.813 20 0 FFADHO Cn1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(-c2cccs2)n1 ZINC000517330752 518120783 /nfs/dbraw/zinc/12/07/83/518120783.db2.gz SJLFACMCCXUIKP-IAGOWNOFSA-N 1 3 360.527 2.867 20 0 FFADHO NC[C@H](NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000517340570 518122542 /nfs/dbraw/zinc/12/25/42/518122542.db2.gz QJYDOJIMWWAFGD-HBMCJLEFSA-N 1 3 366.509 2.871 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1SC ZINC000539677525 518137829 /nfs/dbraw/zinc/13/78/29/518137829.db2.gz DHVRCMSDDLGGDM-SFHVURJKSA-N 1 3 363.571 2.826 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1SC ZINC000539677525 518137834 /nfs/dbraw/zinc/13/78/34/518137834.db2.gz DHVRCMSDDLGGDM-SFHVURJKSA-N 1 3 363.571 2.826 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@]3(CCN(CCCN4CCOCC4)C3)C2)cc1 ZINC000531103476 518137770 /nfs/dbraw/zinc/13/77/70/518137770.db2.gz BWQSXBBBUWPWSC-JOCHJYFZSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCCN4CCOCC4)C3)C2)cc1 ZINC000531103476 518137778 /nfs/dbraw/zinc/13/77/78/518137778.db2.gz BWQSXBBBUWPWSC-JOCHJYFZSA-N 1 3 357.542 2.697 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000517418584 518144359 /nfs/dbraw/zinc/14/43/59/518144359.db2.gz DNOWSXSYTXZHOH-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@@H]1C ZINC000531141259 518152304 /nfs/dbraw/zinc/15/23/04/518152304.db2.gz SWTDDQYSAAUODR-FHWLQOOXSA-N 1 3 358.530 2.819 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@@H]1C ZINC000531141259 518152309 /nfs/dbraw/zinc/15/23/09/518152309.db2.gz SWTDDQYSAAUODR-FHWLQOOXSA-N 1 3 358.530 2.819 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000528289387 518165858 /nfs/dbraw/zinc/16/58/58/518165858.db2.gz RKILLVQMMJMZDA-HXUWFJFHSA-N 1 3 371.529 2.614 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000522829915 518167268 /nfs/dbraw/zinc/16/72/68/518167268.db2.gz TYRNHUGVALJTEM-RTWAWAEBSA-N 1 3 370.541 2.574 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000522829915 518167272 /nfs/dbraw/zinc/16/72/72/518167272.db2.gz TYRNHUGVALJTEM-RTWAWAEBSA-N 1 3 370.541 2.574 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)Cc1ccccc1 ZINC000535261425 518171122 /nfs/dbraw/zinc/17/11/22/518171122.db2.gz KOJUXKUXQVZBFI-RTBURBONSA-N 1 3 362.562 2.825 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)c1ccccc1 ZINC000563892781 518217080 /nfs/dbraw/zinc/21/70/80/518217080.db2.gz UFJBWBYWIPSPMT-LJQANCHMSA-N 1 3 363.505 2.974 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+]CC3(N)CCC3)ccc2c1 ZINC000584232587 518240117 /nfs/dbraw/zinc/24/01/17/518240117.db2.gz ZVPYEHMKAWLSDX-OAHLLOKOSA-N 1 3 355.482 2.666 20 0 FFADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000569782407 518286360 /nfs/dbraw/zinc/28/63/60/518286360.db2.gz OVYIBMFEGSFHLL-SBHAEUEKSA-N 1 3 364.493 2.713 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(C)c1OC ZINC000572677642 518307190 /nfs/dbraw/zinc/30/71/90/518307190.db2.gz SLWUFOZBEOIUHE-HOTGVXAUSA-N 1 3 350.503 2.991 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000572714089 518325785 /nfs/dbraw/zinc/32/57/85/518325785.db2.gz YGJGZDILQQBWSG-IRXDYDNUSA-N 1 3 352.544 2.860 20 0 FFADHO CN(C)Cc1ccc(-c2noc(-c3cnn([C@@H]4CCC[NH2+]C4)c3)n2)cc1 ZINC000578726135 518344520 /nfs/dbraw/zinc/34/45/20/518344520.db2.gz UURNGFYLGSKBOC-QGZVFWFLSA-N 1 3 352.442 2.586 20 0 FFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000567109945 518356958 /nfs/dbraw/zinc/35/69/58/518356958.db2.gz JFTVKHZWELPWCN-LEWJYISDSA-N 1 3 371.525 2.641 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000581657889 518393561 /nfs/dbraw/zinc/39/35/61/518393561.db2.gz VZSKHUUSFRSSIN-FCEUIQTBSA-N 1 3 358.574 2.685 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000581661266 518394584 /nfs/dbraw/zinc/39/45/84/518394584.db2.gz IHPSASSFMIEFTK-SJLPKXTDSA-N 1 3 359.514 2.897 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000564322514 518399145 /nfs/dbraw/zinc/39/91/45/518399145.db2.gz RLIGQWVDOFJPFG-KRWDZBQOSA-N 1 3 359.436 2.622 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000576074529 518414976 /nfs/dbraw/zinc/41/49/76/518414976.db2.gz JPLKRWOXUUDGQT-UHFFFAOYSA-N 1 3 371.529 2.623 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000567251562 518431043 /nfs/dbraw/zinc/43/10/43/518431043.db2.gz TUWKZCJQTROFKA-DZFGPLHGSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000564452256 518458109 /nfs/dbraw/zinc/45/81/09/518458109.db2.gz BQKBMNSIYSMGTN-VBQJREDUSA-N 1 3 357.420 2.683 20 0 FFADHO CN(C[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000567378322 518494455 /nfs/dbraw/zinc/49/44/55/518494455.db2.gz YNJZZUBSQASLDH-IBGZPJMESA-N 1 3 365.949 2.597 20 0 FFADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000564567154 518506496 /nfs/dbraw/zinc/50/64/96/518506496.db2.gz LKHIDVMNAFRFHV-CJNGLKHVSA-N 1 3 357.420 2.594 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@]1(C)CCCO1 ZINC000579133623 518537440 /nfs/dbraw/zinc/53/74/40/518537440.db2.gz XQSWLYWVEZEXAA-UTKZUKDTSA-N 1 3 359.514 2.559 20 0 FFADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573270196 518585131 /nfs/dbraw/zinc/58/51/31/518585131.db2.gz UFXLZANXEIBGPP-XJKSGUPXSA-N 1 3 373.950 2.631 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000570453202 518614727 /nfs/dbraw/zinc/61/47/27/518614727.db2.gz PXJOTNGHQUXFKG-RYRKJORJSA-N 1 3 369.431 2.957 20 0 FFADHO C[C@H]1Oc2ccccc2OC1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000573357244 518628292 /nfs/dbraw/zinc/62/82/92/518628292.db2.gz NJGFICYTGHWBAN-BDJLRTHQSA-N 1 3 359.451 2.777 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@H](O)CC(F)(F)F)CC2)c1 ZINC000567679406 518649658 /nfs/dbraw/zinc/64/96/58/518649658.db2.gz VXIYWWLHBDSZIW-GOSISDBHSA-N 1 3 373.463 2.800 20 0 FFADHO C[N@H+](CCCNC(=O)N1CCc2ccccc2[C@H]1CN)C1CCCCC1 ZINC000576581858 518662710 /nfs/dbraw/zinc/66/27/10/518662710.db2.gz MYEAVTMKMWREQY-HXUWFJFHSA-N 1 3 358.530 2.909 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CCc2ccccc2[C@H]1CN)C1CCCCC1 ZINC000576581858 518662718 /nfs/dbraw/zinc/66/27/18/518662718.db2.gz MYEAVTMKMWREQY-HXUWFJFHSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)COC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000570680081 518729639 /nfs/dbraw/zinc/72/96/39/518729639.db2.gz IZEMIBFBTDZPEO-RCKXYERXSA-N 1 3 373.541 2.784 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CCN1Cc1ccccc1 ZINC000576779546 518758979 /nfs/dbraw/zinc/75/89/79/518758979.db2.gz PFMZJKLXKYTCHW-KOUHRCEDSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000567902224 518776919 /nfs/dbraw/zinc/77/69/19/518776919.db2.gz HQLZKRBSMBPYSM-FKBYEOEOSA-N 1 3 353.510 2.820 20 0 FFADHO CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000567902224 518776922 /nfs/dbraw/zinc/77/69/22/518776922.db2.gz HQLZKRBSMBPYSM-FKBYEOEOSA-N 1 3 353.510 2.820 20 0 FFADHO CN(C)c1cccc([C@@H]2CCCN2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000567902224 518776925 /nfs/dbraw/zinc/77/69/25/518776925.db2.gz HQLZKRBSMBPYSM-FKBYEOEOSA-N 1 3 353.510 2.820 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000579649218 518781254 /nfs/dbraw/zinc/78/12/54/518781254.db2.gz WENOBGGQAHDLGT-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO COc1ccc(OCC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588711245 518813084 /nfs/dbraw/zinc/81/30/84/518813084.db2.gz NGRPTDGBLQNGOZ-HDICACEKSA-N 1 3 362.514 2.895 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[C@H]1[NH3+] ZINC000582595463 518829185 /nfs/dbraw/zinc/82/91/85/518829185.db2.gz FUMCYOAINQHLTK-DLTWYDFYSA-N 1 3 350.532 2.510 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)nc3C)CC2)CC1 ZINC000565185302 518832529 /nfs/dbraw/zinc/83/25/29/518832529.db2.gz HUGGLVIMFGQWSE-UHFFFAOYSA-N 1 3 360.502 2.533 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC[C@H]3CCCCO3)CC2)CC1 ZINC000565194476 518836985 /nfs/dbraw/zinc/83/69/85/518836985.db2.gz LIOJHAPWXHUENO-HXUWFJFHSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@H](CCc1ccc(F)cc1F)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000565261613 518866838 /nfs/dbraw/zinc/86/68/38/518866838.db2.gz BSUSPANKMXPYKW-MRXNPFEDSA-N 1 3 367.484 2.868 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3[C@H](C)C3CC3)CC2)CC1 ZINC000579850150 518886211 /nfs/dbraw/zinc/88/62/11/518886211.db2.gz ORYZDYXGQOWBNY-MRXNPFEDSA-N 1 3 373.545 2.989 20 0 FFADHO CN1CCN([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000571073297 518914276 /nfs/dbraw/zinc/91/42/76/518914276.db2.gz PRUVEACMCQFRMX-NCXUSEDFSA-N 1 3 362.587 2.547 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(OC)c(OC)cc1F ZINC000568278237 518961110 /nfs/dbraw/zinc/96/11/10/518961110.db2.gz FZAQOQPYTRDFEH-QGZVFWFLSA-N 1 3 367.509 2.691 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(OC)c(OC)cc1F ZINC000568278237 518961114 /nfs/dbraw/zinc/96/11/14/518961114.db2.gz FZAQOQPYTRDFEH-QGZVFWFLSA-N 1 3 367.509 2.691 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)c2cccs2)CC1 ZINC000577207616 518966532 /nfs/dbraw/zinc/96/65/32/518966532.db2.gz PFZQFUJKWFGMTJ-INIZCTEOSA-N 1 3 364.559 2.962 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000582894113 518973651 /nfs/dbraw/zinc/97/36/51/518973651.db2.gz COPCTMLWOCPMDU-WSTZPKSXSA-N 1 3 358.530 2.838 20 0 FFADHO Cc1cccc(C(=O)NCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000577274186 519000315 /nfs/dbraw/zinc/00/03/15/519000315.db2.gz MQZVMCNDULRLRC-SIKLNZKXSA-N 1 3 365.477 2.570 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000565537179 519007322 /nfs/dbraw/zinc/00/73/22/519007322.db2.gz LMCZKMOHBKZVNW-INIZCTEOSA-N 1 3 357.420 2.738 20 0 FFADHO Cc1cccnc1[C@H]1CCC[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568383216 519013013 /nfs/dbraw/zinc/01/30/13/519013013.db2.gz QQFNDQJTODKSFU-IRXDYDNUSA-N 1 3 354.502 2.791 20 0 FFADHO O=C1[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000565599321 519037694 /nfs/dbraw/zinc/03/76/94/519037694.db2.gz ZHARRBFLJCNCDL-VBQJREDUSA-N 1 3 367.415 2.742 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577397603 519060829 /nfs/dbraw/zinc/06/08/29/519060829.db2.gz QFOSFELHVDMVGC-KBUPBQIOSA-N 1 3 363.468 2.694 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577397603 519060834 /nfs/dbraw/zinc/06/08/34/519060834.db2.gz QFOSFELHVDMVGC-KBUPBQIOSA-N 1 3 363.468 2.694 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1OC ZINC000583167020 519109491 /nfs/dbraw/zinc/10/94/91/519109491.db2.gz KGXBMENVBLXLDE-MOPGFXCFSA-N 1 3 362.514 2.870 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000565765868 519121034 /nfs/dbraw/zinc/12/10/34/519121034.db2.gz QPMUKPJPUOTGAI-OXQOHEQNSA-N 1 3 373.545 2.814 20 0 FFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000583251579 519153545 /nfs/dbraw/zinc/15/35/45/519153545.db2.gz RLHXVWSIGROKIQ-QGZVFWFLSA-N 1 3 368.456 2.867 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000565855414 519164656 /nfs/dbraw/zinc/16/46/56/519164656.db2.gz JWIKESZAJGHKFM-FYZZASKESA-N 1 3 370.541 2.918 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000565855414 519164664 /nfs/dbraw/zinc/16/46/64/519164664.db2.gz JWIKESZAJGHKFM-FYZZASKESA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000577607855 519166021 /nfs/dbraw/zinc/16/60/21/519166021.db2.gz GJXMVJREQPRDQK-UHFFFAOYSA-N 1 3 368.525 2.851 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)CC[C@H]21 ZINC000571626425 519188236 /nfs/dbraw/zinc/18/82/36/519188236.db2.gz WHYNBIQQXFWFEF-NJDAHSKKSA-N 1 3 366.509 2.965 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)CC[C@H]21 ZINC000571626425 519188246 /nfs/dbraw/zinc/18/82/46/519188246.db2.gz WHYNBIQQXFWFEF-NJDAHSKKSA-N 1 3 366.509 2.965 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000583369300 519211548 /nfs/dbraw/zinc/21/15/48/519211548.db2.gz ODXXGNYWIYCNFU-SJORKVTESA-N 1 3 360.502 2.752 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000577712818 519216560 /nfs/dbraw/zinc/21/65/60/519216560.db2.gz OUARMJSXFCCIDK-HXUWFJFHSA-N 1 3 360.546 2.787 20 0 FFADHO CCCn1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000565976644 519225853 /nfs/dbraw/zinc/22/58/53/519225853.db2.gz BQSXWBLJJGLGQK-UHFFFAOYSA-N 1 3 360.546 2.712 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577749796 519238651 /nfs/dbraw/zinc/23/86/51/519238651.db2.gz UEXLYYSGKXUKGK-VAMGGRTRSA-N 1 3 373.516 2.886 20 0 FFADHO CC(=O)CCc1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000580642479 519281488 /nfs/dbraw/zinc/28/14/88/519281488.db2.gz YGAXZABHIZJWAM-VTHDOGFWSA-N 1 3 374.525 2.553 20 0 FFADHO CC(=O)CCc1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000580642479 519281494 /nfs/dbraw/zinc/28/14/94/519281494.db2.gz YGAXZABHIZJWAM-VTHDOGFWSA-N 1 3 374.525 2.553 20 0 FFADHO CCCC[C@H](COC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000574701375 519288375 /nfs/dbraw/zinc/28/83/75/519288375.db2.gz ATTNINPGMUBHAI-GOSISDBHSA-N 1 3 353.551 2.504 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c3OCCO4)CC2)CC1 ZINC000580656879 519289475 /nfs/dbraw/zinc/28/94/75/519289475.db2.gz RLNPOTPVFKMLEG-UHFFFAOYSA-N 1 3 373.497 2.593 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H]3c3cc[nH]n3)CC2)CC1 ZINC000574769397 519324147 /nfs/dbraw/zinc/32/41/47/519324147.db2.gz XMQGGFHAQPPKOH-FQEVSTJZSA-N 1 3 373.545 2.660 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571921496 519348300 /nfs/dbraw/zinc/34/83/00/519348300.db2.gz WHQPHGWDZZYIMC-ILXRZTDVSA-N 1 3 367.440 2.937 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000569085571 519368100 /nfs/dbraw/zinc/36/81/00/519368100.db2.gz NNKCUXWRGKAMAP-ANQUJSFKSA-N 1 3 350.532 2.510 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNCC[C@H](C)[NH+]3CCCCC3)c2cc1C ZINC000580829880 519382188 /nfs/dbraw/zinc/38/21/88/519382188.db2.gz XUSQMLGWZMNRFO-RBUKOAKNSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]CC[C@H](C)N3CCCCC3)c2cc1C ZINC000580829880 519382196 /nfs/dbraw/zinc/38/21/96/519382196.db2.gz XUSQMLGWZMNRFO-RBUKOAKNSA-N 1 3 358.530 2.868 20 0 FFADHO COCC[NH+]1CCC(NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000572010126 519395554 /nfs/dbraw/zinc/39/55/54/519395554.db2.gz CAGYJBHXNFWCNL-LJQANCHMSA-N 1 3 351.560 2.712 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000569134946 519396180 /nfs/dbraw/zinc/39/61/80/519396180.db2.gz GFXRRHJLWWDAGW-NRFANRHFSA-N 1 3 372.557 2.821 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000569134946 519396186 /nfs/dbraw/zinc/39/61/86/519396186.db2.gz GFXRRHJLWWDAGW-NRFANRHFSA-N 1 3 372.557 2.821 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000572042795 519414351 /nfs/dbraw/zinc/41/43/51/519414351.db2.gz CROAGJIQIJEFSO-LJQANCHMSA-N 1 3 358.530 2.541 20 0 FFADHO [NH3+][C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000574984554 519437622 /nfs/dbraw/zinc/43/76/22/519437622.db2.gz GKCQPGIKDGYSPG-NRFANRHFSA-N 1 3 351.494 2.681 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000575027945 519459859 /nfs/dbraw/zinc/45/98/59/519459859.db2.gz VHNXONBHERPZIV-HXUWFJFHSA-N 1 3 358.530 2.909 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000575027945 519459869 /nfs/dbraw/zinc/45/98/69/519459869.db2.gz VHNXONBHERPZIV-HXUWFJFHSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000581000731 519469942 /nfs/dbraw/zinc/46/99/42/519469942.db2.gz AXCJURZAJHBRGE-QAPCUYQASA-N 1 3 364.559 2.871 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000583891294 519487049 /nfs/dbraw/zinc/48/70/49/519487049.db2.gz BEFLMJLYPZGNLF-UNMCSNQZSA-N 1 3 358.574 2.657 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000569335747 519499914 /nfs/dbraw/zinc/49/99/14/519499914.db2.gz QKMDEXWNQXICSX-WMQCIHAUSA-N 1 3 370.541 2.907 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000569335747 519499919 /nfs/dbraw/zinc/49/99/19/519499919.db2.gz QKMDEXWNQXICSX-WMQCIHAUSA-N 1 3 370.541 2.907 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000583942616 519510507 /nfs/dbraw/zinc/51/05/07/519510507.db2.gz JSIBQZPAMBJULK-MOPGFXCFSA-N 1 3 364.530 2.804 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000583942616 519510513 /nfs/dbraw/zinc/51/05/13/519510513.db2.gz JSIBQZPAMBJULK-MOPGFXCFSA-N 1 3 364.530 2.804 20 0 FFADHO CCN1CCCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000591132265 519525322 /nfs/dbraw/zinc/52/53/22/519525322.db2.gz PTLKJFYCGUDTBE-FQEVSTJZSA-N 1 3 358.530 2.637 20 0 FFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccc(F)cc1 ZINC000581126667 519537102 /nfs/dbraw/zinc/53/71/02/519537102.db2.gz ZCITWJGELGXKFG-FQEVSTJZSA-N 1 3 358.457 2.951 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCCC[NH2+]C(C)C)N2CCCC2)cc1 ZINC000584042856 519563680 /nfs/dbraw/zinc/56/36/80/519563680.db2.gz AZQGGXCRDCPYHA-IBGZPJMESA-N 1 3 362.518 2.519 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+]CC3(C)C)c(C)c2)CC1 ZINC000572344198 519565903 /nfs/dbraw/zinc/56/59/03/519565903.db2.gz JYTJGGTXIDZWAR-LJQANCHMSA-N 1 3 373.545 2.647 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC000566609326 519576233 /nfs/dbraw/zinc/57/62/33/519576233.db2.gz QWIGFZSWIOMCQH-UHFFFAOYSA-N 1 3 354.454 2.552 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC(C)C ZINC000578414795 519578261 /nfs/dbraw/zinc/57/82/61/519578261.db2.gz CYKRPOGGZFCJHH-UHFFFAOYSA-N 1 3 350.507 2.739 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)CCN1Cc1ccccc1 ZINC000575322816 519588419 /nfs/dbraw/zinc/58/84/19/519588419.db2.gz WGDGZTNEZRNZLN-XLIONFOSSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000591494238 519931476 /nfs/dbraw/zinc/93/14/76/519931476.db2.gz WBEPOKHUSXWBIQ-GOSISDBHSA-N 1 3 360.502 2.719 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000591543910 519944392 /nfs/dbraw/zinc/94/43/92/519944392.db2.gz RDNHAEDVYMMNPQ-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000591542579 519945007 /nfs/dbraw/zinc/94/50/07/519945007.db2.gz CVXLSKXMVXRTEN-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000591542579 519945013 /nfs/dbraw/zinc/94/50/13/519945013.db2.gz CVXLSKXMVXRTEN-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[NH+]1CCCC1 ZINC000591569664 519954732 /nfs/dbraw/zinc/95/47/32/519954732.db2.gz KZQGSWXTSBNFJR-PMACEKPBSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000591579028 519957988 /nfs/dbraw/zinc/95/79/88/519957988.db2.gz NZSCBIYZZAWHGM-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000591579028 519957998 /nfs/dbraw/zinc/95/79/98/519957998.db2.gz NZSCBIYZZAWHGM-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@]3(C)c3ccccc3)CC2)CC1 ZINC000608423686 519971700 /nfs/dbraw/zinc/97/17/00/519971700.db2.gz OOGPIXDZHQYRQX-RBBKRZOGSA-N 1 3 370.541 2.574 20 0 FFADHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000591759299 520026819 /nfs/dbraw/zinc/02/68/19/520026819.db2.gz LFDRTTVZPUDDGO-UWHLTILDSA-N 1 3 374.525 2.581 20 0 FFADHO CCOC(=O)c1cccc(C[NH2+]CC2CCN(c3ccncc3)CC2)n1 ZINC000600135664 520073515 /nfs/dbraw/zinc/07/35/15/520073515.db2.gz KXVXQFHNIIYSRE-UHFFFAOYSA-N 1 3 354.454 2.660 20 0 FFADHO CSCCc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000603095468 520074980 /nfs/dbraw/zinc/07/49/80/520074980.db2.gz MBJRETKHNDNKSN-UHFFFAOYSA-N 1 3 352.548 2.549 20 0 FFADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000594916759 520216178 /nfs/dbraw/zinc/21/61/78/520216178.db2.gz BUZXGSMDVUESLL-CDHQVMDDSA-N 1 3 360.498 2.694 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000612964991 520243998 /nfs/dbraw/zinc/24/39/98/520243998.db2.gz WFAUUEFGYGLPQM-MOPGFXCFSA-N 1 3 374.529 2.519 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000592493479 520416248 /nfs/dbraw/zinc/41/62/48/520416248.db2.gz SQMKHININMVIDZ-MSOLQXFVSA-N 1 3 372.513 2.663 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000604116735 520455679 /nfs/dbraw/zinc/45/56/79/520455679.db2.gz ZRJHISXXHZZFEP-PZJWPPBQSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000604116735 520455688 /nfs/dbraw/zinc/45/56/88/520455688.db2.gz ZRJHISXXHZZFEP-PZJWPPBQSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2c(F)cccc2F)CCC1 ZINC000617502710 520538579 /nfs/dbraw/zinc/53/85/79/520538579.db2.gz ZJLGOWRXPSEXMK-HNNXBMFYSA-N 1 3 367.484 2.775 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2c(F)cccc2F)CCC1 ZINC000617502710 520538584 /nfs/dbraw/zinc/53/85/84/520538584.db2.gz ZJLGOWRXPSEXMK-HNNXBMFYSA-N 1 3 367.484 2.775 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccn1Cc1cccs1 ZINC000617505193 520543503 /nfs/dbraw/zinc/54/35/03/520543503.db2.gz XOSRBFZUSMDBJG-INIZCTEOSA-N 1 3 362.543 2.600 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccn1Cc1cccs1 ZINC000617505193 520543514 /nfs/dbraw/zinc/54/35/14/520543514.db2.gz XOSRBFZUSMDBJG-INIZCTEOSA-N 1 3 362.543 2.600 20 0 FFADHO CCn1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1-c1ccccc1 ZINC000617507099 520544479 /nfs/dbraw/zinc/54/44/79/520544479.db2.gz HXHKMJAGEZAEEI-KRWDZBQOSA-N 1 3 371.529 2.572 20 0 FFADHO CCn1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1-c1ccccc1 ZINC000617507099 520544489 /nfs/dbraw/zinc/54/44/89/520544489.db2.gz HXHKMJAGEZAEEI-KRWDZBQOSA-N 1 3 371.529 2.572 20 0 FFADHO Cc1cc(Br)cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617507473 520546651 /nfs/dbraw/zinc/54/66/51/520546651.db2.gz YBCRLIZOSCACPI-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1cc(Br)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617507473 520546656 /nfs/dbraw/zinc/54/66/56/520546656.db2.gz YBCRLIZOSCACPI-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO CCSC1(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000598327170 520560016 /nfs/dbraw/zinc/56/00/16/520560016.db2.gz BXNBYGBJWTZJDC-UHFFFAOYSA-N 1 3 353.576 2.585 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC3([NH+](C)C)CCCC3)CC2)CC1 ZINC000604631938 520623120 /nfs/dbraw/zinc/62/31/20/520623120.db2.gz JFDPNUFPKXDVPM-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000601254080 520709491 /nfs/dbraw/zinc/70/94/91/520709491.db2.gz BHTKTJZTIASVRG-UXHICEINSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@@H](C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)[NH+](CC)CC ZINC000605425118 520870058 /nfs/dbraw/zinc/87/00/58/520870058.db2.gz VDILUSQLIAAVGH-NRFANRHFSA-N 1 3 374.573 2.561 20 0 FFADHO CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000614333211 520914612 /nfs/dbraw/zinc/91/46/12/520914612.db2.gz BTQPGYKNONLWIA-LJQANCHMSA-N 1 3 361.530 2.964 20 0 FFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000598964779 520947096 /nfs/dbraw/zinc/94/70/96/520947096.db2.gz RKGWZAIEFUFVBA-HUUCEWRRSA-N 1 3 365.518 2.787 20 0 FFADHO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000593597507 521099615 /nfs/dbraw/zinc/09/96/15/521099615.db2.gz ZAVGJADTOPQNLR-QZTJIDSGSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000606638677 521117623 /nfs/dbraw/zinc/11/76/23/521117623.db2.gz UJCCXQRGYVFXGN-UWJYYQICSA-N 1 3 372.557 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000606651586 521124154 /nfs/dbraw/zinc/12/41/54/521124154.db2.gz KHLANAHTYVJISF-SQGPQFPESA-N 1 3 358.530 2.851 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000606704552 521144065 /nfs/dbraw/zinc/14/40/65/521144065.db2.gz MUHUUTHLWTYWIL-IBGZPJMESA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000606704552 521144069 /nfs/dbraw/zinc/14/40/69/521144069.db2.gz MUHUUTHLWTYWIL-IBGZPJMESA-N 1 3 362.562 2.911 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618664802 521177455 /nfs/dbraw/zinc/17/74/55/521177455.db2.gz DMIBJNOEKPQSOY-HXUWFJFHSA-N 1 3 355.526 2.958 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618664802 521177458 /nfs/dbraw/zinc/17/74/58/521177458.db2.gz DMIBJNOEKPQSOY-HXUWFJFHSA-N 1 3 355.526 2.958 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cc(F)ccc2OC(F)F)CC[NH2+]CC1 ZINC000596655752 521194637 /nfs/dbraw/zinc/19/46/37/521194637.db2.gz YOUPLGIEWMZDHE-GFCCVEGCSA-N 1 3 374.403 2.838 20 0 FFADHO CSCC[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593917720 521290636 /nfs/dbraw/zinc/29/06/36/521290636.db2.gz ILEZIYADKXEFCO-INIZCTEOSA-N 1 3 353.557 2.893 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000618930523 521303733 /nfs/dbraw/zinc/30/37/33/521303733.db2.gz ONXOHEUAWKTUGE-XLIONFOSSA-N 1 3 358.530 2.805 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000607383941 521351491 /nfs/dbraw/zinc/35/14/91/521351491.db2.gz JDIZRBRZWQXEFY-UHFFFAOYSA-N 1 3 366.509 2.748 20 0 FFADHO CCc1ccccc1NC(=O)C[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009974 521863858 /nfs/dbraw/zinc/86/38/58/521863858.db2.gz PKUSKKPQLQQFOX-INIZCTEOSA-N 1 3 367.497 2.883 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635011329 521864728 /nfs/dbraw/zinc/86/47/28/521864728.db2.gz NDZFOVLFJPRUAZ-RHSMWYFYSA-N 1 3 353.532 2.877 20 0 FFADHO Cc1c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)nnn1-c1ccccc1 ZINC000635006718 521865889 /nfs/dbraw/zinc/86/58/89/521865889.db2.gz CLMYQLZNBLIDQK-OAHLLOKOSA-N 1 3 363.469 2.553 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013978 521867420 /nfs/dbraw/zinc/86/74/20/521867420.db2.gz XIIVSLXOVMFECW-KGLIPLIRSA-N 1 3 361.511 2.707 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013977 521867473 /nfs/dbraw/zinc/86/74/73/521867473.db2.gz XIIVSLXOVMFECW-KBPBESRZSA-N 1 3 361.511 2.707 20 0 FFADHO COc1cccc(NC(=O)C[C@H](C)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000635011983 521867848 /nfs/dbraw/zinc/86/78/48/521867848.db2.gz RZAWWKNNSNWFAL-HNNXBMFYSA-N 1 3 353.466 2.848 20 0 FFADHO FC(F)(F)c1ccn(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000635014306 521868341 /nfs/dbraw/zinc/86/83/41/521868341.db2.gz PDDDEHMFZSZBTM-PBHICJAKSA-N 1 3 366.387 2.747 20 0 FFADHO C[N@@H+]1CC[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC1(C)C ZINC000623452698 522032875 /nfs/dbraw/zinc/03/28/75/522032875.db2.gz MMZWRWRDXURNKN-GOSISDBHSA-N 1 3 364.965 2.924 20 0 FFADHO C[N@H+]1CC[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC1(C)C ZINC000623452698 522032888 /nfs/dbraw/zinc/03/28/88/522032888.db2.gz MMZWRWRDXURNKN-GOSISDBHSA-N 1 3 364.965 2.924 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000623636726 522182066 /nfs/dbraw/zinc/18/20/66/522182066.db2.gz GZVMAERBVCRPPL-WSTZPKSXSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[N@H+]1CCCC[C@H]1C ZINC000623636726 522182075 /nfs/dbraw/zinc/18/20/75/522182075.db2.gz GZVMAERBVCRPPL-WSTZPKSXSA-N 1 3 358.530 2.673 20 0 FFADHO [NH3+]CCCOCCNCc1ccc(Br)c(Br)c1 ZINC000629398893 522190988 /nfs/dbraw/zinc/19/09/88/522190988.db2.gz JAZUUFVOHRYCTA-UHFFFAOYSA-N 1 3 366.097 2.667 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000629415939 522199668 /nfs/dbraw/zinc/19/96/68/522199668.db2.gz BRFPGQSHWPLZIK-UHFFFAOYSA-N 1 3 365.562 2.744 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000629415939 522199675 /nfs/dbraw/zinc/19/96/75/522199675.db2.gz BRFPGQSHWPLZIK-UHFFFAOYSA-N 1 3 365.562 2.744 20 0 FFADHO FC(F)CN1CCC[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629518859 522294295 /nfs/dbraw/zinc/29/42/95/522294295.db2.gz MJTQSQWKXUPVOM-OGWOLHLISA-N 1 3 351.441 2.561 20 0 FFADHO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1)CN1CCCC1 ZINC000629574043 522326007 /nfs/dbraw/zinc/32/60/07/522326007.db2.gz GCEDWOIPEQAYEU-GJZGRUSLSA-N 1 3 358.313 2.618 20 0 FFADHO CN(C(=O)C12CCC[NH+](CCC1)C2)C1CCN(Cc2ccccc2)CC1 ZINC000635563614 522365316 /nfs/dbraw/zinc/36/53/16/522365316.db2.gz SMVONTDOXMSSIC-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@H]1CN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[C@H]1[NH3+] ZINC000633010635 522472585 /nfs/dbraw/zinc/47/25/85/522472585.db2.gz CWGWPEHIHKNHFK-RBUKOAKNSA-N 1 3 358.530 2.810 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)C34CCC[NH+](CCC3)C4)c2)CC1 ZINC000635811527 522550063 /nfs/dbraw/zinc/55/00/63/522550063.db2.gz KCHNMWSWZAJKJJ-UHFFFAOYSA-N 1 3 356.514 2.643 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C[NH2+]1 ZINC000626984574 522571977 /nfs/dbraw/zinc/57/19/77/522571977.db2.gz IOIOZIDCSIKJGV-AIANPOQGSA-N 1 3 350.532 2.571 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC000627016184 522594163 /nfs/dbraw/zinc/59/41/63/522594163.db2.gz IYLJCCOMQKVZHL-FCEUIQTBSA-N 1 3 370.541 2.538 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCNC[C@H]2C(C)C)[NH+](C)C)cc1 ZINC000627045667 522614259 /nfs/dbraw/zinc/61/42/59/522614259.db2.gz QRKFWHJQWOWLJK-ROUUACIJSA-N 1 3 364.559 2.651 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627133405 522667297 /nfs/dbraw/zinc/66/72/97/522667297.db2.gz CSGVIHFSVVHUDT-KRWDZBQOSA-N 1 3 364.921 2.698 20 0 FFADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000621652889 522996102 /nfs/dbraw/zinc/99/61/02/522996102.db2.gz JASWJWLSABCXJV-OAQYLSRUSA-N 1 3 357.542 2.933 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000624945686 523047877 /nfs/dbraw/zinc/04/78/77/523047877.db2.gz LGXJCYNMKJCZDY-ACRUOGEOSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000624945686 523047885 /nfs/dbraw/zinc/04/78/85/523047885.db2.gz LGXJCYNMKJCZDY-ACRUOGEOSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627796262 523107704 /nfs/dbraw/zinc/10/77/04/523107704.db2.gz LEYPQENBTSZWFC-QHAWAJNXSA-N 1 3 355.526 2.697 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627796262 523107712 /nfs/dbraw/zinc/10/77/12/523107712.db2.gz LEYPQENBTSZWFC-QHAWAJNXSA-N 1 3 355.526 2.697 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cnc(C)s3)CC2)CC1 ZINC000634038456 523151264 /nfs/dbraw/zinc/15/12/64/523151264.db2.gz CGVSVEKZQONDKL-AWEZNQCLSA-N 1 3 364.559 2.825 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NC1CC([NH+](C)C)C1 ZINC000622010186 523214526 /nfs/dbraw/zinc/21/45/26/523214526.db2.gz YFZLFVPVDAQSKM-AOCRQIFASA-N 1 3 359.514 2.762 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)N(C)C1CC1 ZINC000625202757 523253308 /nfs/dbraw/zinc/25/33/08/523253308.db2.gz FAFCLZAGJUSVGU-TYCQWZJGSA-N 1 3 355.526 2.744 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N(C)C1CC1 ZINC000625202757 523253319 /nfs/dbraw/zinc/25/33/19/523253319.db2.gz FAFCLZAGJUSVGU-TYCQWZJGSA-N 1 3 355.526 2.744 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000622101441 523266708 /nfs/dbraw/zinc/26/67/08/523266708.db2.gz KDAAAPYJSIOKNS-LJQANCHMSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000622101441 523266716 /nfs/dbraw/zinc/26/67/16/523266716.db2.gz KDAAAPYJSIOKNS-LJQANCHMSA-N 1 3 360.546 2.675 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(c4ccccc4)C3)CC2)CC1 ZINC000622208148 523329787 /nfs/dbraw/zinc/32/97/87/523329787.db2.gz IBLKIKZUMFVBCA-UHFFFAOYSA-N 1 3 369.553 2.983 20 0 FFADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000637015464 523366911 /nfs/dbraw/zinc/36/69/11/523366911.db2.gz QXGIGGMIKRPMAN-UNMCSNQZSA-N 1 3 370.541 2.826 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637015092 523367120 /nfs/dbraw/zinc/36/71/20/523367120.db2.gz LLMGQQFGCGXIAL-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)C[C@@](C)(O)C2CC2)[C@H]1c1cccs1 ZINC000634705425 523591299 /nfs/dbraw/zinc/59/12/99/523591299.db2.gz AMBZSOCUSPTUIW-SKWUIDRYSA-N 1 3 352.544 2.633 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)C[C@@](C)(O)C2CC2)[C@H]1c1cccs1 ZINC000634705425 523591307 /nfs/dbraw/zinc/59/13/07/523591307.db2.gz AMBZSOCUSPTUIW-SKWUIDRYSA-N 1 3 352.544 2.633 20 0 FFADHO C[C@](O)(C[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634713761 523602925 /nfs/dbraw/zinc/60/29/25/523602925.db2.gz AQHIYGUSAJMPTH-BVSLBCMMSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@](O)(C[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634713761 523602934 /nfs/dbraw/zinc/60/29/34/523602934.db2.gz AQHIYGUSAJMPTH-BVSLBCMMSA-N 1 3 360.542 2.790 20 0 FFADHO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CC1 ZINC000634713761 523602946 /nfs/dbraw/zinc/60/29/46/523602946.db2.gz AQHIYGUSAJMPTH-BVSLBCMMSA-N 1 3 360.542 2.790 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000637472804 523654456 /nfs/dbraw/zinc/65/44/56/523654456.db2.gz MBXBZZBMDQNSEM-LJQANCHMSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000637472804 523654463 /nfs/dbraw/zinc/65/44/63/523654463.db2.gz MBXBZZBMDQNSEM-LJQANCHMSA-N 1 3 350.551 2.765 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000623071323 523656677 /nfs/dbraw/zinc/65/66/77/523656677.db2.gz FVBMJVCDQNKPIZ-BHIYHBOVSA-N 1 3 360.502 2.641 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000637485844 523661756 /nfs/dbraw/zinc/66/17/56/523661756.db2.gz KRIGKFUHIGEDNX-WOJBJXKFSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000631663664 523740803 /nfs/dbraw/zinc/74/08/03/523740803.db2.gz KKBQZQDUKAKJSW-UNWVZKJWSA-N 1 3 371.569 2.988 20 0 FFADHO COc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1-c1nnn[n-]1 ZINC000821813459 599437554 /nfs/dbraw/zinc/43/75/54/599437554.db2.gz HSDYHPIGGLEVBU-UHFFFAOYSA-N 1 3 358.490 2.621 20 0 FFADHO COc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1-c1nn[n-]n1 ZINC000821813459 599437556 /nfs/dbraw/zinc/43/75/56/599437556.db2.gz HSDYHPIGGLEVBU-UHFFFAOYSA-N 1 3 358.490 2.621 20 0 FFADHO CCOC(=O)C1CCN(C2CCN(c3cc4[nH]ccc4c[nH+]3)CC2)CC1 ZINC001164613952 719022870 /nfs/dbraw/zinc/02/28/70/719022870.db2.gz KREYNTHSJSWVKF-UHFFFAOYSA-N 1 3 356.470 2.807 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CNCC[S@](=O)C(C)(C)C)CC1 ZINC000088726264 728438129 /nfs/dbraw/zinc/43/81/29/728438129.db2.gz HFYCBTQNIXSVMH-RUZDIDTESA-N 1 3 365.587 2.855 20 0 FFADHO O[C@H](COc1ccccc1Cl)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193081130 729467507 /nfs/dbraw/zinc/46/75/07/729467507.db2.gz DOTYPWMIYYTZEU-KRWDZBQOSA-N 1 3 352.906 2.888 20 0 FFADHO [NH3+]C1(CC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCC1 ZINC000237992821 729565720 /nfs/dbraw/zinc/56/57/20/729565720.db2.gz SWIRPZCVOBLEEE-UHFFFAOYSA-N 1 3 365.905 2.571 20 0 FFADHO C[NH+]1CCN(c2ccc(CN[C@H]3CCc4c3nccc4Cl)cn2)CC1 ZINC000924624901 738435208 /nfs/dbraw/zinc/43/52/08/738435208.db2.gz DDEXLWPJCUNAJV-KRWDZBQOSA-N 1 3 357.889 2.659 20 0 FFADHO CN(C)Cc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1F ZINC000449202155 729881210 /nfs/dbraw/zinc/88/12/10/729881210.db2.gz HZSDNTUMSGAJCZ-UHFFFAOYSA-N 1 3 350.459 2.581 20 0 FFADHO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1N ZINC000641803798 730253039 /nfs/dbraw/zinc/25/30/39/730253039.db2.gz HRBLFAURJAXGGE-QWHCGFSZSA-N 1 3 358.255 2.632 20 0 FFADHO CN(C)CC[N@H+](C)CCCNCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000857783955 730410373 /nfs/dbraw/zinc/41/03/73/730410373.db2.gz KQFWUDTUGVBYDN-UHFFFAOYSA-N 1 3 363.937 2.714 20 0 FFADHO CN(C)CC[N@@H+](C)CCCNCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000857783955 730410374 /nfs/dbraw/zinc/41/03/74/730410374.db2.gz KQFWUDTUGVBYDN-UHFFFAOYSA-N 1 3 363.937 2.714 20 0 FFADHO C[NH+]1CCN(c2ccc(CN[C@@H]3CCc4ccc(Cl)nc43)cn2)CC1 ZINC000857902744 730413926 /nfs/dbraw/zinc/41/39/26/730413926.db2.gz UYIXZMNKQWUPDQ-MRXNPFEDSA-N 1 3 357.889 2.659 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000644784120 730503559 /nfs/dbraw/zinc/50/35/59/730503559.db2.gz JTBZSOMJOCKEKH-CXAGYDPISA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000644784120 730503563 /nfs/dbraw/zinc/50/35/63/730503563.db2.gz JTBZSOMJOCKEKH-CXAGYDPISA-N 1 3 359.297 2.761 20 0 FFADHO CN1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000647249033 730728443 /nfs/dbraw/zinc/72/84/43/730728443.db2.gz YJIGBUUFOFOPEE-QUCCMNQESA-N 1 3 358.507 2.525 20 0 FFADHO Brc1cc2c(cc1CN1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCO2 ZINC000647546176 730749425 /nfs/dbraw/zinc/74/94/25/730749425.db2.gz COBUVHXRMAHHCJ-STQMWFEESA-N 1 3 367.287 2.999 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](N[C@@H]3CCc4cc(F)c(F)c(F)c43)C2)CC1 ZINC000648450493 730809998 /nfs/dbraw/zinc/80/99/98/730809998.db2.gz OUYJNFZOGNJCBO-XJKSGUPXSA-N 1 3 353.432 2.849 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649293724 730875182 /nfs/dbraw/zinc/87/51/82/730875182.db2.gz GSHMQIMNZBXLKD-IAGOWNOFSA-N 1 3 351.441 2.575 20 0 FFADHO C[C@]1(CO)CCCN1Cc1cc(C[N@@H+]2CCC[C@]2(C)CO)ccc1F ZINC000649441806 730885162 /nfs/dbraw/zinc/88/51/62/730885162.db2.gz OYWFCSNWRQHUBM-WOJBJXKFSA-N 1 3 350.478 2.519 20 0 FFADHO C[C@]1(CO)CCCN1Cc1cc(C[N@H+]2CCC[C@]2(C)CO)ccc1F ZINC000649441806 730885167 /nfs/dbraw/zinc/88/51/67/730885167.db2.gz OYWFCSNWRQHUBM-WOJBJXKFSA-N 1 3 350.478 2.519 20 0 FFADHO CCN(CC)c1ncc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650721762 731023024 /nfs/dbraw/zinc/02/30/24/731023024.db2.gz AKSANBVGEXQKKD-DJIMGWMZSA-N 1 3 352.548 2.850 20 0 FFADHO COc1cc(OC)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000651721088 731121442 /nfs/dbraw/zinc/12/14/42/731121442.db2.gz SBLKMYYZVRGQKG-GJZGRUSLSA-N 1 3 354.466 2.822 20 0 FFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346592 731185533 /nfs/dbraw/zinc/18/55/33/731185533.db2.gz AWDPNJCEXJQMJV-INDMIFKZSA-N 1 3 353.551 2.536 20 0 FFADHO CC1(C)[C@H]([NH2+]CCCCn2cc(Br)cn2)[C@@H]2CCCN[C@@H]21 ZINC000925655531 738520565 /nfs/dbraw/zinc/52/05/65/738520565.db2.gz VSMNPUNXJWJZKC-ZNMIVQPWSA-N 1 3 355.324 2.792 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656197493 731557142 /nfs/dbraw/zinc/55/71/42/731557142.db2.gz MZIFRPNKSHFRQU-LSDHHAIUSA-N 1 3 368.319 2.657 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849494 738536103 /nfs/dbraw/zinc/53/61/03/738536103.db2.gz DIJRYKSWOAQWCZ-TZMCWYRMSA-N 1 3 351.516 2.911 20 0 FFADHO CC(C)[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)ccc1F ZINC000925852428 738536827 /nfs/dbraw/zinc/53/68/27/738536827.db2.gz URKRZQDKTQVRMM-PBHICJAKSA-N 1 3 352.425 2.937 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCCOc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925852566 738537265 /nfs/dbraw/zinc/53/72/65/738537265.db2.gz OVUURNURUHIFHL-XJKSGUPXSA-N 1 3 364.873 2.829 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)F)nc1 ZINC000657864052 731825454 /nfs/dbraw/zinc/82/54/54/731825454.db2.gz JRGPRIMSISQKTH-CZUORRHYSA-N 1 3 354.445 2.613 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)F)nc1 ZINC000657864052 731825457 /nfs/dbraw/zinc/82/54/57/731825457.db2.gz JRGPRIMSISQKTH-CZUORRHYSA-N 1 3 354.445 2.613 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659490631 731981943 /nfs/dbraw/zinc/98/19/43/731981943.db2.gz ZUGSDTBITURFMU-ROUUACIJSA-N 1 3 350.551 2.528 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660662120 732131359 /nfs/dbraw/zinc/13/13/59/732131359.db2.gz IFPKHLQCZQOPQU-QFBILLFUSA-N 1 3 350.528 2.566 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660662120 732131360 /nfs/dbraw/zinc/13/13/60/732131360.db2.gz IFPKHLQCZQOPQU-QFBILLFUSA-N 1 3 350.528 2.566 20 0 FFADHO [NH3+]C[C@H](NC(=O)c1cc2c(s1)CCNC2)c1ccc2ccccc2c1 ZINC000662563217 732334370 /nfs/dbraw/zinc/33/43/70/732334370.db2.gz UAQUMZRBTUSAIF-KRWDZBQOSA-N 1 3 351.475 2.977 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(Cl)s1 ZINC000663728409 732482861 /nfs/dbraw/zinc/48/28/61/732482861.db2.gz RCWITKXBWFFBMR-ZDUSSCGKSA-N 1 3 360.955 2.515 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(Cl)s1 ZINC000663728409 732482863 /nfs/dbraw/zinc/48/28/63/732482863.db2.gz RCWITKXBWFFBMR-ZDUSSCGKSA-N 1 3 360.955 2.515 20 0 FFADHO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878161315 732491169 /nfs/dbraw/zinc/49/11/69/732491169.db2.gz ODLCRUOQWUJTLO-CABCVRRESA-N 1 3 351.922 2.974 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCN(C)C1 ZINC000664212834 732552844 /nfs/dbraw/zinc/55/28/44/732552844.db2.gz WNUIBLKVPGVVFG-BQFCYCMXSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCN(C)C1 ZINC000664212834 732552848 /nfs/dbraw/zinc/55/28/48/732552848.db2.gz WNUIBLKVPGVVFG-BQFCYCMXSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c1cccc2Cl ZINC000665760132 732752530 /nfs/dbraw/zinc/75/25/30/732752530.db2.gz ZWNYDZSYFMYZMW-AWEZNQCLSA-N 1 3 352.910 2.684 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c1cccc2Cl ZINC000665760132 732752536 /nfs/dbraw/zinc/75/25/36/732752536.db2.gz ZWNYDZSYFMYZMW-AWEZNQCLSA-N 1 3 352.910 2.684 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000665761632 732753017 /nfs/dbraw/zinc/75/30/17/732753017.db2.gz LBUYJILOUXZETN-INIZCTEOSA-N 1 3 366.575 2.909 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000665761632 732753018 /nfs/dbraw/zinc/75/30/18/732753018.db2.gz LBUYJILOUXZETN-INIZCTEOSA-N 1 3 366.575 2.909 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)c2cccs2)CC1 ZINC000668644756 733149101 /nfs/dbraw/zinc/14/91/01/733149101.db2.gz UYNFXEGWKPSJAW-VQIMIIECSA-N 1 3 364.559 2.901 20 0 FFADHO CC[N@H+](CCNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000726132792 734410787 /nfs/dbraw/zinc/41/07/87/734410787.db2.gz PRBWMYMSVCGKLQ-UHFFFAOYSA-N 1 3 360.571 2.599 20 0 FFADHO CC[N@@H+](CCNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000726132792 734410788 /nfs/dbraw/zinc/41/07/88/734410788.db2.gz PRBWMYMSVCGKLQ-UHFFFAOYSA-N 1 3 360.571 2.599 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000727075315 734463811 /nfs/dbraw/zinc/46/38/11/734463811.db2.gz JKEGGVMHHPQCAA-SFHVURJKSA-N 1 3 362.587 2.703 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)N(C)C)cc1 ZINC000891922434 734495317 /nfs/dbraw/zinc/49/53/17/734495317.db2.gz NWOJQDIQHKNCID-BZSNNMDCSA-N 1 3 362.543 2.547 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)Cc1ccco1 ZINC000892483292 734564391 /nfs/dbraw/zinc/56/43/91/734564391.db2.gz MSFAJQIXVGDBHD-INIZCTEOSA-N 1 3 350.507 2.521 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000894766693 734913274 /nfs/dbraw/zinc/91/32/74/734913274.db2.gz VXUFNJGFHSIKKL-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccco1 ZINC000894766693 734913280 /nfs/dbraw/zinc/91/32/80/734913280.db2.gz VXUFNJGFHSIKKL-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000894861095 734929002 /nfs/dbraw/zinc/92/90/02/734929002.db2.gz PDSMDYSGODUFAZ-AWEZNQCLSA-N 1 3 351.495 2.589 20 0 FFADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000894861095 734929006 /nfs/dbraw/zinc/92/90/06/734929006.db2.gz PDSMDYSGODUFAZ-AWEZNQCLSA-N 1 3 351.495 2.589 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000894978206 734947237 /nfs/dbraw/zinc/94/72/37/734947237.db2.gz MPRJOFWHJGUSGU-RDJZCZTQSA-N 1 3 358.368 2.652 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000894978206 734947239 /nfs/dbraw/zinc/94/72/39/734947239.db2.gz MPRJOFWHJGUSGU-RDJZCZTQSA-N 1 3 358.368 2.652 20 0 FFADHO C[N@@H+]1C[C@@H]2CN(C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000897620223 735255983 /nfs/dbraw/zinc/25/59/83/735255983.db2.gz JDSMCXILOQKBBX-AHRSYUTCSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@H+]1C[C@@H]2CN(C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000897620223 735255987 /nfs/dbraw/zinc/25/59/87/735255987.db2.gz JDSMCXILOQKBBX-AHRSYUTCSA-N 1 3 351.535 2.907 20 0 FFADHO COCC[NH+]1CCC(N[C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903079280 736027539 /nfs/dbraw/zinc/02/75/39/736027539.db2.gz LFVMWSNDFINZOM-HXUWFJFHSA-N 1 3 350.478 2.994 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000903438664 736095278 /nfs/dbraw/zinc/09/52/78/736095278.db2.gz YLVNWJDBWOKXMW-OCCSQVGLSA-N 1 3 353.869 2.985 20 0 FFADHO Fc1ccc(OC2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c(F)c1 ZINC000903722401 736159478 /nfs/dbraw/zinc/15/94/78/736159478.db2.gz LWBDSNCPWUINGB-APWZRJJASA-N 1 3 352.425 2.577 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000906710600 736535703 /nfs/dbraw/zinc/53/57/03/736535703.db2.gz IXXNLRCZNFCATI-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000906710600 736535706 /nfs/dbraw/zinc/53/57/06/736535706.db2.gz IXXNLRCZNFCATI-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO C[N@H+](Cc1ccc2nc(NC(=O)C34CCN(CC3)C4)sc2c1)C1CC1 ZINC000912395282 737299680 /nfs/dbraw/zinc/29/96/80/737299680.db2.gz ISFYLIOADVGLNM-UHFFFAOYSA-N 1 3 356.495 2.925 20 0 FFADHO C[N@@H+](Cc1ccc2nc(NC(=O)C34CCN(CC3)C4)sc2c1)C1CC1 ZINC000912395282 737299684 /nfs/dbraw/zinc/29/96/84/737299684.db2.gz ISFYLIOADVGLNM-UHFFFAOYSA-N 1 3 356.495 2.925 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)cc(OC)c3)C2)[C@@H]1C(C)C ZINC000922395397 738137531 /nfs/dbraw/zinc/13/75/31/738137531.db2.gz XFVAOWNUCDCUEK-YSTOQKLRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)cc(OC)c3)C2)[C@@H]1C(C)C ZINC000922395397 738137532 /nfs/dbraw/zinc/13/75/32/738137532.db2.gz XFVAOWNUCDCUEK-YSTOQKLRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)cc(OC)c3)C2)[C@H]1C(C)C ZINC000922395396 738137621 /nfs/dbraw/zinc/13/76/21/738137621.db2.gz XFVAOWNUCDCUEK-WTGUMLROSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)cc(OC)c3)C2)[C@H]1C(C)C ZINC000922395396 738137622 /nfs/dbraw/zinc/13/76/22/738137622.db2.gz XFVAOWNUCDCUEK-WTGUMLROSA-N 1 3 350.478 2.794 20 0 FFADHO CC(C)COC[C@H](O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923342816 738274351 /nfs/dbraw/zinc/27/43/51/738274351.db2.gz RERBMSBAWCLYLD-MSOLQXFVSA-N 1 3 352.544 2.726 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)ccc1OC ZINC000788626475 739265143 /nfs/dbraw/zinc/26/51/43/739265143.db2.gz SQEVIGYEGMELGU-TWOQFEAHSA-N 1 3 350.503 2.728 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000931441686 739266953 /nfs/dbraw/zinc/26/69/53/739266953.db2.gz NEXMTJQKLUOTKY-DVOMOZLQSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000931441686 739266955 /nfs/dbraw/zinc/26/69/55/739266955.db2.gz NEXMTJQKLUOTKY-DVOMOZLQSA-N 1 3 359.297 2.617 20 0 FFADHO C[NH+](C)CCCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000791779453 739601980 /nfs/dbraw/zinc/60/19/80/739601980.db2.gz OBVRQCJXQCIILS-GFCCVEGCSA-N 1 3 359.253 2.841 20 0 FFADHO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000798940288 740375397 /nfs/dbraw/zinc/37/53/97/740375397.db2.gz DZILJHNHCASVIM-QFBILLFUSA-N 1 3 350.503 2.729 20 0 FFADHO CN(C)C[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000802721537 740720604 /nfs/dbraw/zinc/72/06/04/740720604.db2.gz VUHGHMPUQZNVPA-MRXNPFEDSA-N 1 3 354.951 2.501 20 0 FFADHO Cc1cc(CN2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001000700570 742094213 /nfs/dbraw/zinc/09/42/13/742094213.db2.gz UWYKIYHYIJRPGV-DNVCBOLYSA-N 1 3 361.555 2.953 20 0 FFADHO Cc1cc(CN2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001000700570 742094217 /nfs/dbraw/zinc/09/42/17/742094217.db2.gz UWYKIYHYIJRPGV-DNVCBOLYSA-N 1 3 361.555 2.953 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817928727 742222916 /nfs/dbraw/zinc/22/29/16/742222916.db2.gz FKAMMBYPTHEFIH-APPDUMDISA-N 1 3 364.287 2.995 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccc(F)c(F)c1 ZINC000818984298 742320714 /nfs/dbraw/zinc/32/07/14/742320714.db2.gz DHJMUXJKVNJRBT-GOSISDBHSA-N 1 3 350.409 2.728 20 0 FFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001020172841 742536616 /nfs/dbraw/zinc/53/66/16/742536616.db2.gz FXVALZPFCHUFJM-KKBGWUFQSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001020172841 742536618 /nfs/dbraw/zinc/53/66/18/742536618.db2.gz FXVALZPFCHUFJM-KKBGWUFQSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001033092667 742875047 /nfs/dbraw/zinc/87/50/47/742875047.db2.gz SZLLRFLQVLKWCA-AYOQOUSVSA-N 1 3 363.933 2.755 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001033092667 742875057 /nfs/dbraw/zinc/87/50/57/742875057.db2.gz SZLLRFLQVLKWCA-AYOQOUSVSA-N 1 3 363.933 2.755 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](CNCc3cscn3)CC2)CC[N@@H+]1C ZINC001050330125 743511444 /nfs/dbraw/zinc/51/14/44/743511444.db2.gz ZCXGOUYOYXSHGC-UOVPBQLFSA-N 1 3 364.559 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](CNCc3cscn3)CC2)CC[N@H+]1C ZINC001050330125 743511451 /nfs/dbraw/zinc/51/14/51/743511451.db2.gz ZCXGOUYOYXSHGC-UOVPBQLFSA-N 1 3 364.559 2.638 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827889875 744997634 /nfs/dbraw/zinc/99/76/34/744997634.db2.gz NXFOWWXCIZRKGB-HOCLYGCPSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000827889875 744997637 /nfs/dbraw/zinc/99/76/37/744997637.db2.gz NXFOWWXCIZRKGB-HOCLYGCPSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000828961638 745146973 /nfs/dbraw/zinc/14/69/73/745146973.db2.gz SDYRHBPJZNMSFO-JKSUJKDBSA-N 1 3 350.894 2.520 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(Cl)n1 ZINC000841853031 747476631 /nfs/dbraw/zinc/47/66/31/747476631.db2.gz UKKCIQADMZHJTF-YQQAZPJKSA-N 1 3 364.921 2.672 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(Cl)ccc12 ZINC000849106607 749052933 /nfs/dbraw/zinc/05/29/33/749052933.db2.gz ZAYQLHSYGGDDBW-MRXNPFEDSA-N 1 3 361.921 2.972 20 0 FFADHO ClC1(Cl)C[C@@H]1CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763209 749947717 /nfs/dbraw/zinc/94/77/17/749947717.db2.gz LFADXVWHXVDRRK-KBPBESRZSA-N 1 3 372.344 2.583 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000067671657 845511247 /nfs/dbraw/zinc/51/12/47/845511247.db2.gz UXJMIDFLYWUKRR-CQSZACIVSA-N 1 3 370.335 2.573 20 0 FFADHO CO[C@@H](CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1)C1CCCC1 ZINC000659911894 970844151 /nfs/dbraw/zinc/84/41/51/970844151.db2.gz JRGYCNWMRJQQTF-QFIPXVFZSA-N 1 3 359.558 2.941 20 0 FFADHO CO[C@@H](CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)C1CCCC1 ZINC000659911894 970844159 /nfs/dbraw/zinc/84/41/59/970844159.db2.gz JRGYCNWMRJQQTF-QFIPXVFZSA-N 1 3 359.558 2.941 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)OC)C1 ZINC001104802545 970865343 /nfs/dbraw/zinc/86/53/43/970865343.db2.gz GPHMNDYPNBRWNR-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO Cc1c(C[N@@H+](C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C ZINC000895740795 970902910 /nfs/dbraw/zinc/90/29/10/970902910.db2.gz ZWOUWGIWTGLIRX-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO Cc1c(C[N@H+](C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C ZINC000895740795 970902920 /nfs/dbraw/zinc/90/29/20/970902920.db2.gz ZWOUWGIWTGLIRX-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]Cc1ccccc1 ZINC001104832626 970954667 /nfs/dbraw/zinc/95/46/67/970954667.db2.gz LCNGPZNOQXAURY-TZIWHRDSSA-N 1 3 357.542 2.993 20 0 FFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)ccc1OC ZINC000183314829 971110672 /nfs/dbraw/zinc/11/06/72/971110672.db2.gz QSJWNXVFNHSWFP-MAUKXSAKSA-N 1 3 359.514 2.951 20 0 FFADHO c1c(CNCC2CCN(c3cc[nH+]cc3)CC2)nnn1Cc1ccccc1 ZINC000893305727 971483738 /nfs/dbraw/zinc/48/37/38/971483738.db2.gz UKZKMSWKJDASLG-UHFFFAOYSA-N 1 3 362.481 2.728 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCC(F)(F)C4)CC[C@@H]3C2)CCC1 ZINC001087992743 971734926 /nfs/dbraw/zinc/73/49/26/971734926.db2.gz JOYKGWMXHHRVNL-ZACQAIPSSA-N 1 3 369.500 2.686 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCC(F)(F)C4)CC[C@@H]3C2)CCC1 ZINC001087992743 971734933 /nfs/dbraw/zinc/73/49/33/971734933.db2.gz JOYKGWMXHHRVNL-ZACQAIPSSA-N 1 3 369.500 2.686 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087993155 971737097 /nfs/dbraw/zinc/73/70/97/971737097.db2.gz BUNXOXOWWHCAAU-FSSWDIPSSA-N 1 3 369.553 2.658 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087993155 971737102 /nfs/dbraw/zinc/73/71/02/971737102.db2.gz BUNXOXOWWHCAAU-FSSWDIPSSA-N 1 3 369.553 2.658 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993463 971738556 /nfs/dbraw/zinc/73/85/56/971738556.db2.gz PJHPPLVKHMCCJG-FSSWDIPSSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993463 971738561 /nfs/dbraw/zinc/73/85/61/971738561.db2.gz PJHPPLVKHMCCJG-FSSWDIPSSA-N 1 3 369.553 2.870 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001087993352 971739078 /nfs/dbraw/zinc/73/90/78/971739078.db2.gz LSNFKZYWZRZDKG-DYXWJJEUSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001087993352 971739083 /nfs/dbraw/zinc/73/90/83/971739083.db2.gz LSNFKZYWZRZDKG-DYXWJJEUSA-N 1 3 370.541 2.625 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)c1 ZINC001087999379 971776755 /nfs/dbraw/zinc/77/67/55/971776755.db2.gz IXDQNOKKVCHVED-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)c1 ZINC001087999379 971776758 /nfs/dbraw/zinc/77/67/58/971776758.db2.gz IXDQNOKKVCHVED-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088023126 971897681 /nfs/dbraw/zinc/89/76/81/971897681.db2.gz PZXJKUBPDMFJAT-CUWPBCTBSA-N 1 3 353.938 2.640 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088023126 971897684 /nfs/dbraw/zinc/89/76/84/971897684.db2.gz PZXJKUBPDMFJAT-CUWPBCTBSA-N 1 3 353.938 2.640 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1)[NH+]1CCCC1 ZINC001088064668 972067236 /nfs/dbraw/zinc/06/72/36/972067236.db2.gz OZXLUCBYUZQOEL-CABCVRRESA-N 1 3 361.452 2.594 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000652131804 972263187 /nfs/dbraw/zinc/26/31/87/972263187.db2.gz NSSGJQVRPHLTRU-NRFANRHFSA-N 1 3 366.509 2.870 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000652131805 972263241 /nfs/dbraw/zinc/26/32/41/972263241.db2.gz NSSGJQVRPHLTRU-OAQYLSRUSA-N 1 3 366.509 2.870 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](CCC3CC3)C2)C1=O ZINC001275896537 1013157749 /nfs/dbraw/zinc/15/77/49/1013157749.db2.gz YTXIUGOGSFUZHN-IFMALSPDSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](CCC3CC3)C2)C1=O ZINC001275896537 1013157757 /nfs/dbraw/zinc/15/77/57/1013157757.db2.gz YTXIUGOGSFUZHN-IFMALSPDSA-N 1 3 355.526 2.666 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000654735855 958876004 /nfs/dbraw/zinc/87/60/04/958876004.db2.gz VHURBINVGOLEFR-AABGKKOBSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000654735855 958876019 /nfs/dbraw/zinc/87/60/19/958876019.db2.gz VHURBINVGOLEFR-AABGKKOBSA-N 1 3 374.529 2.614 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000655353796 959804763 /nfs/dbraw/zinc/80/47/63/959804763.db2.gz WDMQXLRJQHBKHQ-SFTDATJTSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000655353796 959804776 /nfs/dbraw/zinc/80/47/76/959804776.db2.gz WDMQXLRJQHBKHQ-SFTDATJTSA-N 1 3 370.541 2.575 20 0 FFADHO COCCOCCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660663395 972467181 /nfs/dbraw/zinc/46/71/81/972467181.db2.gz NPROUGBWAUWXGF-OAQYLSRUSA-N 1 3 362.514 2.646 20 0 FFADHO COCCOCCOc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000660663395 972467185 /nfs/dbraw/zinc/46/71/85/972467185.db2.gz NPROUGBWAUWXGF-OAQYLSRUSA-N 1 3 362.514 2.646 20 0 FFADHO CCCCNC(=O)c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655699855 961107984 /nfs/dbraw/zinc/10/79/84/961107984.db2.gz CIKLESDWWCBGLX-HXUWFJFHSA-N 1 3 359.514 2.559 20 0 FFADHO c1ccc(CN2CCC[C@@H](C[NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000655703816 961115470 /nfs/dbraw/zinc/11/54/70/961115470.db2.gz VYOVATYSEDBHPL-UNMCSNQZSA-N 1 3 357.542 2.742 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001266570038 962239598 /nfs/dbraw/zinc/23/95/98/962239598.db2.gz XFTMVICLHKNGFP-LNLFQRSKSA-N 1 3 365.468 2.566 20 0 FFADHO Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)s1 ZINC001104294346 962376802 /nfs/dbraw/zinc/37/68/02/962376802.db2.gz KOYHDUVQIMHWFE-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC[C@@H]1CCCCO1 ZINC001104294723 962386559 /nfs/dbraw/zinc/38/65/59/962386559.db2.gz YOZDLSBTNPVGTI-GGPKGHCWSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cc2ccccc2[nH]1 ZINC000683928928 962734551 /nfs/dbraw/zinc/73/45/51/962734551.db2.gz ZGERHTIPZDTPFF-NRFANRHFSA-N 1 3 364.493 2.547 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001087134962 963084474 /nfs/dbraw/zinc/08/44/74/963084474.db2.gz MIEBZZCMFXUNHW-PVAVHDDUSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797472 963525116 /nfs/dbraw/zinc/52/51/16/963525116.db2.gz LOAFZRTUOMHZTK-MRXNPFEDSA-N 1 3 361.505 2.679 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]CCCCOc3ccccc3)c2)nn1 ZINC000873218382 1013430846 /nfs/dbraw/zinc/43/08/46/1013430846.db2.gz FLPQOINLAXNJHM-UHFFFAOYSA-N 1 3 351.454 2.675 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]C3CCC4(CCOCC4)CC3)c2)nn1 ZINC000873218530 1013432112 /nfs/dbraw/zinc/43/21/12/1013432112.db2.gz JBAMTWMJQYHRJT-UHFFFAOYSA-N 1 3 355.486 2.555 20 0 FFADHO C[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000873233950 1013435920 /nfs/dbraw/zinc/43/59/20/1013435920.db2.gz CDNNWMFIFBANSI-LPHOPBHVSA-N 1 3 352.482 2.827 20 0 FFADHO CC[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc2c(c1)CCO2 ZINC000873247483 1013447023 /nfs/dbraw/zinc/44/70/23/1013447023.db2.gz NXAAEYDCUYMRTO-FQEVSTJZSA-N 1 3 363.465 2.902 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1OC ZINC000873247962 1013447510 /nfs/dbraw/zinc/44/75/10/1013447510.db2.gz WWXBHJVEZCKJET-CQSZACIVSA-N 1 3 367.453 2.594 20 0 FFADHO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCC2 ZINC000873247485 1013447659 /nfs/dbraw/zinc/44/76/59/1013447659.db2.gz NYSQGECRXSEXAV-NRFANRHFSA-N 1 3 363.465 2.902 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090184973 963975747 /nfs/dbraw/zinc/97/57/47/963975747.db2.gz OMUPFDLCFXANOR-IRLDBZIGSA-N 1 3 372.601 2.903 20 0 FFADHO CN(C)C(=O)[C@@H](NCC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000656684363 964016891 /nfs/dbraw/zinc/01/68/91/964016891.db2.gz VPJJUHYDBRRTDR-NRFANRHFSA-N 1 3 366.509 2.713 20 0 FFADHO CN(C)C(=O)[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000656684363 964016900 /nfs/dbraw/zinc/01/69/00/964016900.db2.gz VPJJUHYDBRRTDR-NRFANRHFSA-N 1 3 366.509 2.713 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cccn1C1CC[NH2+]CC1 ZINC000390735425 964102443 /nfs/dbraw/zinc/10/24/43/964102443.db2.gz HQGSWXYNCWCIPJ-FQEVSTJZSA-N 1 3 366.509 2.807 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000664366467 964203966 /nfs/dbraw/zinc/20/39/66/964203966.db2.gz KSYBGFHSIMLGGG-BEFAXECRSA-N 1 3 365.481 2.672 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000664366467 964203975 /nfs/dbraw/zinc/20/39/75/964203975.db2.gz KSYBGFHSIMLGGG-BEFAXECRSA-N 1 3 365.481 2.672 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CN1C1CC1 ZINC000664368516 964204454 /nfs/dbraw/zinc/20/44/54/964204454.db2.gz SVWDZRQMGMFRRF-SLYNCCJLSA-N 1 3 370.541 2.570 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CN1C1CC1 ZINC000664368516 964204462 /nfs/dbraw/zinc/20/44/62/964204462.db2.gz SVWDZRQMGMFRRF-SLYNCCJLSA-N 1 3 370.541 2.570 20 0 FFADHO CC[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001022104102 964295514 /nfs/dbraw/zinc/29/55/14/964295514.db2.gz VNKGSDPUSWKBBR-IIRRGFMQSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001022104102 964295527 /nfs/dbraw/zinc/29/55/27/964295527.db2.gz VNKGSDPUSWKBBR-IIRRGFMQSA-N 1 3 365.468 2.993 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)N2CCCC2)c1 ZINC000891553670 964477712 /nfs/dbraw/zinc/47/77/12/964477712.db2.gz WMJONLMFXFXFHN-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)N2CCCC2)c1 ZINC000891553670 964477726 /nfs/dbraw/zinc/47/77/26/964477726.db2.gz WMJONLMFXFXFHN-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)[C@H]1CCN(C)C1 ZINC000664692525 964966668 /nfs/dbraw/zinc/96/66/68/964966668.db2.gz NBDLHZNEOWUULO-VQTJNVASSA-N 1 3 360.546 2.879 20 0 FFADHO CCN(C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[C@H]1CCN(C)C1 ZINC000664692525 964966680 /nfs/dbraw/zinc/96/66/80/964966680.db2.gz NBDLHZNEOWUULO-VQTJNVASSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](CNCc2cncs2)C1 ZINC001087176652 965189651 /nfs/dbraw/zinc/18/96/51/965189651.db2.gz IKZKMVXNFXHVHB-ZACQAIPSSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](CNCc2cncs2)C1 ZINC001087176652 965189653 /nfs/dbraw/zinc/18/96/53/965189653.db2.gz IKZKMVXNFXHVHB-ZACQAIPSSA-N 1 3 364.559 2.734 20 0 FFADHO c1cnc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCOCC2)cn1 ZINC001167975636 965545686 /nfs/dbraw/zinc/54/56/86/965545686.db2.gz SSRPNWWVXHIHDF-YQQQUEKLSA-N 1 3 356.514 2.520 20 0 FFADHO c1cnc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cn1 ZINC001167975636 965545698 /nfs/dbraw/zinc/54/56/98/965545698.db2.gz SSRPNWWVXHIHDF-YQQQUEKLSA-N 1 3 356.514 2.520 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000664909833 965977653 /nfs/dbraw/zinc/97/76/53/965977653.db2.gz AVYICSTZGJLWEN-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000664909833 965977669 /nfs/dbraw/zinc/97/76/69/965977669.db2.gz AVYICSTZGJLWEN-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892153170 966087040 /nfs/dbraw/zinc/08/70/40/966087040.db2.gz MROGHTPMZJCWRS-HTAPYJJXSA-N 1 3 356.558 2.727 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892153170 966087055 /nfs/dbraw/zinc/08/70/55/966087055.db2.gz MROGHTPMZJCWRS-HTAPYJJXSA-N 1 3 356.558 2.727 20 0 FFADHO C[NH+]1CCN(c2cc(CNCc3cccc(OC4CC4)c3F)ccn2)CC1 ZINC000657314545 966104651 /nfs/dbraw/zinc/10/46/51/966104651.db2.gz YPMVYPZLBQGFND-UHFFFAOYSA-N 1 3 370.472 2.804 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3CC[NH3+])cc2)CC1 ZINC000653241104 966229448 /nfs/dbraw/zinc/22/94/48/966229448.db2.gz XWVGIERKZZASEB-RXVVDRJESA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000684868236 966496956 /nfs/dbraw/zinc/49/69/56/966496956.db2.gz WPOKLLJXLNDMTD-HXUWFJFHSA-N 1 3 372.557 2.773 20 0 FFADHO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000684868236 966496960 /nfs/dbraw/zinc/49/69/60/966496960.db2.gz WPOKLLJXLNDMTD-HXUWFJFHSA-N 1 3 372.557 2.773 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC2=CCCCC2)C1 ZINC001112154350 967286158 /nfs/dbraw/zinc/28/61/58/967286158.db2.gz HHJRTMZXZFKZDF-HZPDHXFCSA-N 1 3 361.452 2.808 20 0 FFADHO CC(C)N(C)C(=O)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000091952152 967294992 /nfs/dbraw/zinc/29/49/92/967294992.db2.gz HUJJXGAGZLRVEH-UHFFFAOYSA-N 1 3 361.530 2.706 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC001029313681 967690994 /nfs/dbraw/zinc/69/09/94/967690994.db2.gz KFWNIVGPKZOITJ-HSFUPAIVSA-N 1 3 369.500 2.827 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@H]2CCCC2(F)F)CC[N@H+]1C ZINC001029313681 967690998 /nfs/dbraw/zinc/69/09/98/967690998.db2.gz KFWNIVGPKZOITJ-HSFUPAIVSA-N 1 3 369.500 2.827 20 0 FFADHO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000665255571 967869849 /nfs/dbraw/zinc/86/98/49/967869849.db2.gz WWRARSPLIPXFBB-SXLOBPIMSA-N 1 3 354.498 2.932 20 0 FFADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001087246037 968006040 /nfs/dbraw/zinc/00/60/40/968006040.db2.gz WFTBBFVOQXOTRB-WBVHZDCISA-N 1 3 364.921 2.548 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000658342206 968656356 /nfs/dbraw/zinc/65/63/56/968656356.db2.gz LTJDUIMKNVWNCS-NRFANRHFSA-N 1 3 358.574 2.655 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001267559141 969429962 /nfs/dbraw/zinc/42/99/62/969429962.db2.gz OFQJLWNRQOWIEO-XKGZKEIXSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(Cc3ccccc3F)C2)CC[N@H+]1C ZINC001267559141 969429968 /nfs/dbraw/zinc/42/99/68/969429968.db2.gz OFQJLWNRQOWIEO-XKGZKEIXSA-N 1 3 361.505 2.884 20 0 FFADHO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659039540 969657894 /nfs/dbraw/zinc/65/78/94/969657894.db2.gz BFTDYOSZOPPWEJ-SFHVURJKSA-N 1 3 360.502 2.591 20 0 FFADHO CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659039540 969657896 /nfs/dbraw/zinc/65/78/96/969657896.db2.gz BFTDYOSZOPPWEJ-SFHVURJKSA-N 1 3 360.502 2.591 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000659042503 969664000 /nfs/dbraw/zinc/66/40/00/969664000.db2.gz VRFANVCDSUKLAO-HXUWFJFHSA-N 1 3 372.513 2.830 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)cc2)CC1 ZINC000874845993 1013916462 /nfs/dbraw/zinc/91/64/62/1013916462.db2.gz XBIATCFFHFHLDR-SFTDATJTSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)cc2)CC1 ZINC000874845993 1013916467 /nfs/dbraw/zinc/91/64/67/1013916467.db2.gz XBIATCFFHFHLDR-SFTDATJTSA-N 1 3 370.541 2.526 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)CN1 ZINC000659611295 970077432 /nfs/dbraw/zinc/07/74/32/970077432.db2.gz NJRRPSPGHPAHJH-HBFSDRIKSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)CN1 ZINC000659611295 970077440 /nfs/dbraw/zinc/07/74/40/970077440.db2.gz NJRRPSPGHPAHJH-HBFSDRIKSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001104678825 970087566 /nfs/dbraw/zinc/08/75/66/970087566.db2.gz CSOFATVFUHIKIZ-YQVWRLOYSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001104678809 970087984 /nfs/dbraw/zinc/08/79/84/970087984.db2.gz CHHVNXSZKXPRGA-ZHALLVOQSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CCNCc1nccs1 ZINC001104682262 970096355 /nfs/dbraw/zinc/09/63/55/970096355.db2.gz JPLMSPAWJYYLNI-HZPDHXFCSA-N 1 3 366.575 2.695 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CCNCc1nccs1 ZINC001104682262 970096364 /nfs/dbraw/zinc/09/63/64/970096364.db2.gz JPLMSPAWJYYLNI-HZPDHXFCSA-N 1 3 366.575 2.695 20 0 FFADHO Cc1ccccc1CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104731903 970193161 /nfs/dbraw/zinc/19/31/61/970193161.db2.gz FEMPINUSCCWPPZ-UYAOXDASSA-N 1 3 368.525 2.968 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000665553123 972726457 /nfs/dbraw/zinc/72/64/57/972726457.db2.gz OATBKKGJQQXLGU-RXVVDRJESA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000665553123 972726467 /nfs/dbraw/zinc/72/64/67/972726467.db2.gz OATBKKGJQQXLGU-RXVVDRJESA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1 ZINC001088106413 972809473 /nfs/dbraw/zinc/80/94/73/972809473.db2.gz ZBBGUTIRYZBQAJ-RLLQIKCJSA-N 1 3 359.558 2.831 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1 ZINC001088106413 972809485 /nfs/dbraw/zinc/80/94/85/972809485.db2.gz ZBBGUTIRYZBQAJ-RLLQIKCJSA-N 1 3 359.558 2.831 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106524 972825775 /nfs/dbraw/zinc/82/57/75/972825775.db2.gz FQZYMXVEKMDHDP-NNWRFLSQSA-N 1 3 369.553 2.660 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106524 972825790 /nfs/dbraw/zinc/82/57/90/972825790.db2.gz FQZYMXVEKMDHDP-NNWRFLSQSA-N 1 3 369.553 2.660 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]1c1ccccc1 ZINC000660956631 973223615 /nfs/dbraw/zinc/22/36/15/973223615.db2.gz BRRYWKQAZREMAW-SESVDKBCSA-N 1 3 370.541 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]1c1ccccc1 ZINC000660956631 973223626 /nfs/dbraw/zinc/22/36/26/973223626.db2.gz BRRYWKQAZREMAW-SESVDKBCSA-N 1 3 370.541 2.853 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cccc(Cl)c4)C[C@H]3C2)C1 ZINC001088199925 973623742 /nfs/dbraw/zinc/62/37/42/973623742.db2.gz IWLLAJWUQFZWRD-SQNIBIBYSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cccc(Cl)c4)C[C@H]3C2)C1 ZINC001088199925 973623750 /nfs/dbraw/zinc/62/37/50/973623750.db2.gz IWLLAJWUQFZWRD-SQNIBIBYSA-N 1 3 361.917 2.572 20 0 FFADHO Cc1nn(-c2cccc(C)c2)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000651732227 973758031 /nfs/dbraw/zinc/75/80/31/973758031.db2.gz MXBXVJXNNPJCOR-UHFFFAOYSA-N 1 3 356.514 2.814 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000665761367 974094511 /nfs/dbraw/zinc/09/45/11/974094511.db2.gz ATEPLGPSYVDNBH-KRWDZBQOSA-N 1 3 358.530 2.515 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000665761367 974094517 /nfs/dbraw/zinc/09/45/17/974094517.db2.gz ATEPLGPSYVDNBH-KRWDZBQOSA-N 1 3 358.530 2.515 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2cncc(F)c2)C(C)C)CC[N@@H+]1C ZINC001481350214 974292444 /nfs/dbraw/zinc/29/24/44/974292444.db2.gz GGXOZZNFWRSTNH-RBUKOAKNSA-N 1 3 364.509 2.668 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2cncc(F)c2)C(C)C)CC[N@H+]1C ZINC001481350214 974292451 /nfs/dbraw/zinc/29/24/51/974292451.db2.gz GGXOZZNFWRSTNH-RBUKOAKNSA-N 1 3 364.509 2.668 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000662866217 974410836 /nfs/dbraw/zinc/41/08/36/974410836.db2.gz JEZDKOSOTROXRL-WOJBJXKFSA-N 1 3 355.457 2.763 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000662865937 974412079 /nfs/dbraw/zinc/41/20/79/974412079.db2.gz RJEWKLISZGNMTD-ZSZQSSIHSA-N 1 3 365.468 2.791 20 0 FFADHO COC(=O)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000893488801 974675770 /nfs/dbraw/zinc/67/57/70/974675770.db2.gz XIDCDGSLZQMKPV-HXUWFJFHSA-N 1 3 368.477 2.638 20 0 FFADHO COC(=O)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000893488801 974675776 /nfs/dbraw/zinc/67/57/76/974675776.db2.gz XIDCDGSLZQMKPV-HXUWFJFHSA-N 1 3 368.477 2.638 20 0 FFADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H]2CNCCO2)CC1 ZINC000662275878 975395317 /nfs/dbraw/zinc/39/53/17/975395317.db2.gz BWLPVOBFLPDFTO-GOSISDBHSA-N 1 3 371.447 2.590 20 0 FFADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H]2CNCCO2)CC1 ZINC000662275878 975395323 /nfs/dbraw/zinc/39/53/23/975395323.db2.gz BWLPVOBFLPDFTO-GOSISDBHSA-N 1 3 371.447 2.590 20 0 FFADHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1ccccc1Oc1ccccc1 ZINC000662285665 975402279 /nfs/dbraw/zinc/40/22/79/975402279.db2.gz MIKLNIQQELXDJE-UHFFFAOYSA-N 1 3 369.465 2.512 20 0 FFADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291664 975407491 /nfs/dbraw/zinc/40/74/91/975407491.db2.gz XBWXEJCXMSVEMJ-APWZRJJASA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1Cc1ccc(F)cc1 ZINC001088709728 975429065 /nfs/dbraw/zinc/42/90/65/975429065.db2.gz RQRPFUFFAJULJN-KUHUBIRLSA-N 1 3 352.413 2.866 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662356873 975458505 /nfs/dbraw/zinc/45/85/05/975458505.db2.gz XXPUDILHNJTMPM-UHFFFAOYSA-N 1 3 368.481 2.536 20 0 FFADHO CC(C)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087428252 975615600 /nfs/dbraw/zinc/61/56/00/975615600.db2.gz UKWBHEFLWGRWEW-NJDAHSKKSA-N 1 3 355.526 2.711 20 0 FFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000667005610 975616006 /nfs/dbraw/zinc/61/60/06/975616006.db2.gz UTAIYHMPOVGXFR-SQNIBIBYSA-N 1 3 369.513 2.803 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662507778 975664508 /nfs/dbraw/zinc/66/45/08/975664508.db2.gz QZXKHABGZFPSIM-HRAATJIYSA-N 1 3 364.493 2.958 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662598013 975734644 /nfs/dbraw/zinc/73/46/44/975734644.db2.gz NXTLRDAXNHTSHO-SFTDATJTSA-N 1 3 355.526 2.889 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001027892957 975735362 /nfs/dbraw/zinc/73/53/62/975735362.db2.gz IHSJLQZXUWEXQY-FDFHNCONSA-N 1 3 369.553 2.986 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001027892957 975735371 /nfs/dbraw/zinc/73/53/71/975735371.db2.gz IHSJLQZXUWEXQY-FDFHNCONSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCOC2CCCCCC2)CC[N@@H+]1C ZINC001027894187 975741461 /nfs/dbraw/zinc/74/14/61/975741461.db2.gz KGPKJUKFUHHVIO-QWFCFKBJSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCOC2CCCCCC2)CC[N@H+]1C ZINC001027894187 975741470 /nfs/dbraw/zinc/74/14/70/975741470.db2.gz KGPKJUKFUHHVIO-QWFCFKBJSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000667150682 975893556 /nfs/dbraw/zinc/89/35/56/975893556.db2.gz SDFMMVRNOJGOMB-WMZOPIPTSA-N 1 3 362.518 2.584 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000667150682 975893562 /nfs/dbraw/zinc/89/35/62/975893562.db2.gz SDFMMVRNOJGOMB-WMZOPIPTSA-N 1 3 362.518 2.584 20 0 FFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CCN([C@H]4CCOC4)CC3)ccc21 ZINC000667196101 975930051 /nfs/dbraw/zinc/93/00/51/975930051.db2.gz OSUOEFQTICJTMY-AZUAARDMSA-N 1 3 372.513 2.610 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663465778 975975857 /nfs/dbraw/zinc/97/58/57/975975857.db2.gz LKYANGCLIPGEJQ-AEFFLSMTSA-N 1 3 369.509 2.773 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(NCc2ncc(-c3ccccc3)s2)CC1 ZINC000663503127 976069374 /nfs/dbraw/zinc/06/93/74/976069374.db2.gz DNNRQGNLBKPVFY-UHFFFAOYSA-N 1 3 372.538 2.890 20 0 FFADHO C[NH+](C)CCN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccccc1 ZINC000667568453 976403589 /nfs/dbraw/zinc/40/35/89/976403589.db2.gz DSGMDXFBQTVJBK-JKSUJKDBSA-N 1 3 374.403 2.565 20 0 FFADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667792574 977035631 /nfs/dbraw/zinc/03/56/31/977035631.db2.gz CWHDCCGIXPOOPF-FGZHOGPDSA-N 1 3 357.542 2.742 20 0 FFADHO CC(C)c1cccc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)n1 ZINC001268214287 977153300 /nfs/dbraw/zinc/15/33/00/977153300.db2.gz TZZNBSLGTSISMY-POAQFYNOSA-N 1 3 360.546 2.776 20 0 FFADHO CC(C)c1cccc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)n1 ZINC001268214287 977153306 /nfs/dbraw/zinc/15/33/06/977153306.db2.gz TZZNBSLGTSISMY-POAQFYNOSA-N 1 3 360.546 2.776 20 0 FFADHO CCCN1C[C@H]2C[NH+](C3CCN(C(=O)c4cccc(OC)c4)CC3)C[C@@H]2C1 ZINC001167888318 977298103 /nfs/dbraw/zinc/29/81/03/977298103.db2.gz RUPYUOLQAZIGRD-OALUTQOASA-N 1 3 371.525 2.573 20 0 FFADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000876774413 1014388099 /nfs/dbraw/zinc/38/80/99/1014388099.db2.gz VGZDQEGCDGHIDL-KRWDZBQOSA-N 1 3 355.486 2.738 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)/C=C/[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000876780643 1014389879 /nfs/dbraw/zinc/38/98/79/1014389879.db2.gz XMMXEPUYRLCNOI-YOCVDRLZSA-N 1 3 356.514 2.631 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)/C=C\[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000876897174 1014412666 /nfs/dbraw/zinc/41/26/66/1014412666.db2.gz QKHDICNYOLVLRV-CNZFZVQHSA-N 1 3 356.514 2.711 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc3oc(=O)oc3c2)CC1 ZINC000894073273 977656261 /nfs/dbraw/zinc/65/62/61/977656261.db2.gz UQPLBMWXNYSLNJ-UHFFFAOYSA-N 1 3 362.470 2.956 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc3oc(=O)oc3c2)CC1 ZINC000894073273 977656268 /nfs/dbraw/zinc/65/62/68/977656268.db2.gz UQPLBMWXNYSLNJ-UHFFFAOYSA-N 1 3 362.470 2.956 20 0 FFADHO Cc1ccc2c(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c[nH]c2c1 ZINC000663895571 977727427 /nfs/dbraw/zinc/72/74/27/977727427.db2.gz ZAGUKCVTIJWFDJ-KRWDZBQOSA-N 1 3 373.545 2.590 20 0 FFADHO Cc1ccc2c(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c[nH]c2c1 ZINC000663895571 977727435 /nfs/dbraw/zinc/72/74/35/977727435.db2.gz ZAGUKCVTIJWFDJ-KRWDZBQOSA-N 1 3 373.545 2.590 20 0 FFADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000876990261 1014442020 /nfs/dbraw/zinc/44/20/20/1014442020.db2.gz VWLUCTKLBSDRLV-QGZVFWFLSA-N 1 3 369.550 2.601 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)N1CCN(C)CC1 ZINC000877022982 1014452615 /nfs/dbraw/zinc/45/26/15/1014452615.db2.gz ZFLSUPFLDHMORM-KAGYGMCKSA-N 1 3 356.558 2.580 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)[C@H](C)C1 ZINC000126360327 1014477646 /nfs/dbraw/zinc/47/76/46/1014477646.db2.gz KQUSGRDWZYZQIX-XLIONFOSSA-N 1 3 371.529 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2c(C)nsc2C)C(C)C)CC[N@@H+]1C ZINC001482530577 979088767 /nfs/dbraw/zinc/08/87/67/979088767.db2.gz CPIKBNZFZUTCHF-RYQLBKOJSA-N 1 3 366.575 2.721 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2c(C)nsc2C)C(C)C)CC[N@H+]1C ZINC001482530577 979088772 /nfs/dbraw/zinc/08/87/72/979088772.db2.gz CPIKBNZFZUTCHF-RYQLBKOJSA-N 1 3 366.575 2.721 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001076083848 979101882 /nfs/dbraw/zinc/10/18/82/979101882.db2.gz UHCLVJFNTALXKR-PWRODBHTSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001076083848 979101884 /nfs/dbraw/zinc/10/18/84/979101884.db2.gz UHCLVJFNTALXKR-PWRODBHTSA-N 1 3 359.558 2.974 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]21 ZINC001076241635 979260682 /nfs/dbraw/zinc/26/06/82/979260682.db2.gz WNLGSIUULNSLJV-LSTHTHJFSA-N 1 3 359.489 2.673 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]21 ZINC001076241635 979260691 /nfs/dbraw/zinc/26/06/91/979260691.db2.gz WNLGSIUULNSLJV-LSTHTHJFSA-N 1 3 359.489 2.673 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c1 ZINC001076242399 979274703 /nfs/dbraw/zinc/27/47/03/979274703.db2.gz CIQUAROKBLAQDL-JRGCBEDISA-N 1 3 355.526 2.624 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c1 ZINC001076242399 979274710 /nfs/dbraw/zinc/27/47/10/979274710.db2.gz CIQUAROKBLAQDL-JRGCBEDISA-N 1 3 355.526 2.624 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H](C)[C@H]3CC[NH3+])cc2)CC1 ZINC000904280838 980233742 /nfs/dbraw/zinc/23/37/42/980233742.db2.gz BLPSWKASUMXQBZ-FXAWDEMLSA-N 1 3 373.545 2.810 20 0 FFADHO C[C@@H]1NCCn2c(-c3nc(-c4ccccc4OCC[NH+](C)C)no3)ccc21 ZINC000904603176 980307556 /nfs/dbraw/zinc/30/75/56/980307556.db2.gz DCTLLPINLKROGP-AWEZNQCLSA-N 1 3 367.453 2.810 20 0 FFADHO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877665650 1014667815 /nfs/dbraw/zinc/66/78/15/1014667815.db2.gz CYKGIDJBHXNTLE-IRFCIJBXSA-N 1 3 357.542 2.789 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000666624520 981076353 /nfs/dbraw/zinc/07/63/53/981076353.db2.gz JNRDZTXXERZDBB-SJLPKXTDSA-N 1 3 354.498 2.545 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000666624520 981076356 /nfs/dbraw/zinc/07/63/56/981076356.db2.gz JNRDZTXXERZDBB-SJLPKXTDSA-N 1 3 354.498 2.545 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)CC1 ZINC000877747360 1014706280 /nfs/dbraw/zinc/70/62/80/1014706280.db2.gz HYOKMVQUKZUHPI-UHFFFAOYSA-N 1 3 371.447 2.840 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000907103832 981196174 /nfs/dbraw/zinc/19/61/74/981196174.db2.gz ZHQXJSZXLANZMQ-IEBWSBKVSA-N 1 3 358.530 2.845 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000907103832 981196176 /nfs/dbraw/zinc/19/61/76/981196176.db2.gz ZHQXJSZXLANZMQ-IEBWSBKVSA-N 1 3 358.530 2.845 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)C2)C1 ZINC000650706699 1014746044 /nfs/dbraw/zinc/74/60/44/1014746044.db2.gz QURKRGOXCVYYPD-HQRMLTQVSA-N 1 3 358.461 2.730 20 0 FFADHO COc1cc2c(cc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)O[C@H](C)C2 ZINC000650721814 1014750146 /nfs/dbraw/zinc/75/01/46/1014750146.db2.gz CERJHQBKMDTKKD-IZQPOCBFSA-N 1 3 360.498 2.879 20 0 FFADHO COc1ccc2c(c1)C[C@H](N1CC[C@]3(C1)C[N@H+](C)C[C@@H]3COCC1CC1)C2 ZINC001168273605 981720784 /nfs/dbraw/zinc/72/07/84/981720784.db2.gz SBIPBJDONCRKLO-MQSCRBSSSA-N 1 3 370.537 2.843 20 0 FFADHO COc1ccc2c(c1)C[C@H](N1CC[C@]3(C1)C[N@@H+](C)C[C@@H]3COCC1CC1)C2 ZINC001168273605 981720786 /nfs/dbraw/zinc/72/07/86/981720786.db2.gz SBIPBJDONCRKLO-MQSCRBSSSA-N 1 3 370.537 2.843 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3Cc4ccccc43)CC2)CC1 ZINC000654543589 1014763914 /nfs/dbraw/zinc/76/39/14/1014763914.db2.gz QODAYXYYCDUHPD-LJQANCHMSA-N 1 3 355.526 2.639 20 0 FFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H]1C ZINC001088620477 981864995 /nfs/dbraw/zinc/86/49/95/981864995.db2.gz MHWHFMSLGXJJST-LSTHTHJFSA-N 1 3 365.562 2.645 20 0 FFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H]1C ZINC001088620477 981864999 /nfs/dbraw/zinc/86/49/99/981864999.db2.gz MHWHFMSLGXJJST-LSTHTHJFSA-N 1 3 365.562 2.645 20 0 FFADHO CN(C(=S)NCC1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000760493367 982447136 /nfs/dbraw/zinc/44/71/36/982447136.db2.gz YYSWNTWDFRBSNQ-FQEVSTJZSA-N 1 3 374.598 2.799 20 0 FFADHO C[C@@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000650894684 1014855587 /nfs/dbraw/zinc/85/55/87/1014855587.db2.gz DQZSTFLJJLINKD-UTKZUKDTSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000650894685 1014856139 /nfs/dbraw/zinc/85/61/39/1014856139.db2.gz DQZSTFLJJLINKD-UWJYYQICSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666924000 982922728 /nfs/dbraw/zinc/92/27/28/982922728.db2.gz WLYQUZSVGFFVHF-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666924000 982922732 /nfs/dbraw/zinc/92/27/32/982922732.db2.gz WLYQUZSVGFFVHF-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(OC)c1 ZINC000668899832 983906607 /nfs/dbraw/zinc/90/66/07/983906607.db2.gz ARHSLZDLZXHOSM-PKOBYXMFSA-N 1 3 362.518 2.519 20 0 FFADHO C[C@H]1CN(Cc2cn3cc(Br)ccc3n2)CCC[C@@H]1C[NH3+] ZINC001206011503 1032107875 /nfs/dbraw/zinc/10/78/75/1032107875.db2.gz CWEMJEJUTROKTN-QWHCGFSZSA-N 1 3 351.292 2.904 20 0 FFADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000912813618 984125323 /nfs/dbraw/zinc/12/53/23/984125323.db2.gz LWNXIVKSTCOOEJ-HMXCVIKNSA-N 1 3 372.557 2.872 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438913 984539885 /nfs/dbraw/zinc/53/98/85/984539885.db2.gz MUTVILZRTZJEJZ-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO COCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438913 984539890 /nfs/dbraw/zinc/53/98/90/984539890.db2.gz MUTVILZRTZJEJZ-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2)C1CCC1 ZINC001107439322 984540110 /nfs/dbraw/zinc/54/01/10/984540110.db2.gz VXUOXRIKJAFVPS-IEBWSBKVSA-N 1 3 369.500 2.877 20 0 FFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2)C1CCC1 ZINC001107439322 984540116 /nfs/dbraw/zinc/54/01/16/984540116.db2.gz VXUOXRIKJAFVPS-IEBWSBKVSA-N 1 3 369.500 2.877 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1cnoc1C)CC2 ZINC001107454757 984559681 /nfs/dbraw/zinc/55/96/81/984559681.db2.gz LZBLJHNPNJMCEV-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1cnoc1C)CC2 ZINC001107454757 984559684 /nfs/dbraw/zinc/55/96/84/984559684.db2.gz LZBLJHNPNJMCEV-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000669483848 984652038 /nfs/dbraw/zinc/65/20/38/984652038.db2.gz PEWXKZYZHFHVHJ-FPOVZHCZSA-N 1 3 356.514 2.609 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)C1 ZINC001107550133 984668249 /nfs/dbraw/zinc/66/82/49/984668249.db2.gz NQKUVWOUFGYKJS-ATZDWAIDSA-N 1 3 357.489 2.529 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)C1 ZINC001107550133 984668256 /nfs/dbraw/zinc/66/82/56/984668256.db2.gz NQKUVWOUFGYKJS-ATZDWAIDSA-N 1 3 357.489 2.529 20 0 FFADHO CN1CC[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000669545918 984760185 /nfs/dbraw/zinc/76/01/85/984760185.db2.gz YKDWJBWLPZUBTC-PMACEKPBSA-N 1 3 352.482 2.602 20 0 FFADHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112117835 984795540 /nfs/dbraw/zinc/79/55/40/984795540.db2.gz FIZPZLFINFZSAO-KFWWJZLASA-N 1 3 351.457 2.742 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCN1Cc1ccccc1 ZINC000669587483 984866959 /nfs/dbraw/zinc/86/69/59/984866959.db2.gz KWAMOSKNBNBUKU-IIBYNOLFSA-N 1 3 364.493 2.752 20 0 FFADHO Cc1ncc(C[N@@H+]2CC[C@@]3(CNC(=O)CN(C)C(C)C)CCC[C@@H]23)s1 ZINC001107646083 984924860 /nfs/dbraw/zinc/92/48/60/984924860.db2.gz BILZTHHIGMSRIA-IEBWSBKVSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ncc(C[N@H+]2CC[C@@]3(CNC(=O)CN(C)C(C)C)CCC[C@@H]23)s1 ZINC001107646083 984924861 /nfs/dbraw/zinc/92/48/61/984924861.db2.gz BILZTHHIGMSRIA-IEBWSBKVSA-N 1 3 364.559 2.653 20 0 FFADHO O[C@H](C[C@@H](O)c1ccccc1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000878535669 1015089033 /nfs/dbraw/zinc/08/90/33/1015089033.db2.gz AHSPBDPJAMEGKS-KAOXLYBCSA-N 1 3 366.505 2.535 20 0 FFADHO O[C@H](C[C@@H](O)c1ccccc1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000878535669 1015089045 /nfs/dbraw/zinc/08/90/45/1015089045.db2.gz AHSPBDPJAMEGKS-KAOXLYBCSA-N 1 3 366.505 2.535 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCc2ccc(C)cc2)CC[N@@H+]1C ZINC001032413125 985284649 /nfs/dbraw/zinc/28/46/49/985284649.db2.gz CQNNTOAQAVXJNL-MYGLTJDJSA-N 1 3 369.553 2.943 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCc2ccc(C)cc2)CC[N@H+]1C ZINC001032413125 985284654 /nfs/dbraw/zinc/28/46/54/985284654.db2.gz CQNNTOAQAVXJNL-MYGLTJDJSA-N 1 3 369.553 2.943 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654725784 985369958 /nfs/dbraw/zinc/36/99/58/985369958.db2.gz KKYLZAHNRZREFH-VQTJNVASSA-N 1 3 374.529 2.902 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654725784 985369966 /nfs/dbraw/zinc/36/99/66/985369966.db2.gz KKYLZAHNRZREFH-VQTJNVASSA-N 1 3 374.529 2.902 20 0 FFADHO CCCc1ccc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1 ZINC001088983523 985754008 /nfs/dbraw/zinc/75/40/08/985754008.db2.gz BCZLESCKMGLOQI-XLIONFOSSA-N 1 3 355.526 2.814 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC000998015751 985888845 /nfs/dbraw/zinc/88/88/45/985888845.db2.gz DGFCBXVCSOOPKR-KZNAEPCWSA-N 1 3 362.518 2.526 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC000998015751 985888855 /nfs/dbraw/zinc/88/88/55/985888855.db2.gz DGFCBXVCSOOPKR-KZNAEPCWSA-N 1 3 362.518 2.526 20 0 FFADHO COc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)c1O ZINC001206025999 1032111903 /nfs/dbraw/zinc/11/19/03/1032111903.db2.gz QJJCTGOVECVRTC-RYUDHWBXSA-N 1 3 357.292 2.970 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189089 986382086 /nfs/dbraw/zinc/38/20/86/986382086.db2.gz IDAKTHILXFNYEY-BHIYHBOVSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999189089 986382093 /nfs/dbraw/zinc/38/20/93/986382093.db2.gz IDAKTHILXFNYEY-BHIYHBOVSA-N 1 3 358.530 2.626 20 0 FFADHO COCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106132562 987003528 /nfs/dbraw/zinc/00/35/28/987003528.db2.gz BSMAJNKBXXUXCW-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1)N(C)C ZINC001106283683 987844942 /nfs/dbraw/zinc/84/49/42/987844942.db2.gz VXXVLNYQZUUUJS-VPJJLBIOSA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000673235687 987896324 /nfs/dbraw/zinc/89/63/24/987896324.db2.gz GKPIHUXHIFYBLY-MISYRCLQSA-N 1 3 358.530 2.821 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2F)[C@H](C)C1 ZINC001106340462 987984284 /nfs/dbraw/zinc/98/42/84/987984284.db2.gz YTBQJEBMUVQUHL-GDBMZVCRSA-N 1 3 367.484 2.879 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1)N(C)C ZINC001106635264 988550726 /nfs/dbraw/zinc/55/07/26/988550726.db2.gz VXXVLNYQZUUUJS-MYSXKENWSA-N 1 3 357.542 2.970 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(-c4ccccc4)c3)C2)[C@@H]1C(C)C ZINC000922392516 988552946 /nfs/dbraw/zinc/55/29/46/988552946.db2.gz MALHVIJKGNOLJO-YUMYIRISSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(-c4ccccc4)c3)C2)[C@@H]1C(C)C ZINC000922392516 988552951 /nfs/dbraw/zinc/55/29/51/988552951.db2.gz MALHVIJKGNOLJO-YUMYIRISSA-N 1 3 368.525 2.832 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001106666887 988609143 /nfs/dbraw/zinc/60/91/43/988609143.db2.gz YGZLPKAFYWGSIN-NNMXDRDESA-N 1 3 371.569 2.817 20 0 FFADHO Cc1ccc(CCC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001106666874 988609921 /nfs/dbraw/zinc/60/99/21/988609921.db2.gz XWBIKZGZYNQNNG-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000673593324 988752560 /nfs/dbraw/zinc/75/25/60/988752560.db2.gz DDIXXALTTDPBMD-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001033098071 988799562 /nfs/dbraw/zinc/79/95/62/988799562.db2.gz BJYUHZDKADKHBK-IRFCIJBXSA-N 1 3 368.525 2.931 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001033098071 988799569 /nfs/dbraw/zinc/79/95/69/988799569.db2.gz BJYUHZDKADKHBK-IRFCIJBXSA-N 1 3 368.525 2.931 20 0 FFADHO COCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729408 988801153 /nfs/dbraw/zinc/80/11/53/988801153.db2.gz PLRRPWPYTYZPSW-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)[C@H](C)C1 ZINC001106785049 989057970 /nfs/dbraw/zinc/05/79/70/989057970.db2.gz UZTRFDKVRFRBJN-QINHECLXSA-N 1 3 361.505 2.839 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1(C)C ZINC000186730225 989151707 /nfs/dbraw/zinc/15/17/07/989151707.db2.gz QSTKOIZLNMIJNR-WIYYLYMNSA-N 1 3 361.530 2.677 20 0 FFADHO O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864058 989338090 /nfs/dbraw/zinc/33/80/90/989338090.db2.gz DDXTVEVXGBQWJV-QGZVFWFLSA-N 1 3 366.425 2.819 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652179555 1015488941 /nfs/dbraw/zinc/48/89/41/1015488941.db2.gz RAUJMBCODZORQE-FQEVSTJZSA-N 1 3 360.546 2.832 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652179501 1015489809 /nfs/dbraw/zinc/48/98/09/1015489809.db2.gz PWFNPCLDRXUWSY-QRWLVFNGSA-N 1 3 370.472 2.604 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)CCN1Cc1ccccc1 ZINC000652192516 1015494227 /nfs/dbraw/zinc/49/42/27/1015494227.db2.gz CTKXIUHIUWAHJX-YWZLYKJASA-N 1 3 370.472 2.747 20 0 FFADHO NCc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000168952213 989911938 /nfs/dbraw/zinc/91/19/38/989911938.db2.gz ALPHQQNVQCHZJA-AWEZNQCLSA-N 1 3 367.371 2.761 20 0 FFADHO [NH3+]Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000168952213 989911946 /nfs/dbraw/zinc/91/19/46/989911946.db2.gz ALPHQQNVQCHZJA-AWEZNQCLSA-N 1 3 367.371 2.761 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000675102086 990043590 /nfs/dbraw/zinc/04/35/90/990043590.db2.gz MSBZDTBACPYYST-QMMLZNLJSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000675102086 990043599 /nfs/dbraw/zinc/04/35/99/990043599.db2.gz MSBZDTBACPYYST-QMMLZNLJSA-N 1 3 370.541 2.996 20 0 FFADHO Cc1ccncc1CNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001034818845 990282713 /nfs/dbraw/zinc/28/27/13/990282713.db2.gz RGBSXCHKZIYFGJ-DYESRHJHSA-N 1 3 366.509 2.636 20 0 FFADHO Cc1ccncc1CNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001034818845 990282719 /nfs/dbraw/zinc/28/27/19/990282719.db2.gz RGBSXCHKZIYFGJ-DYESRHJHSA-N 1 3 366.509 2.636 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(Cc4ccccc4)C3)CC2)CC[N@@H+]1C ZINC001035709632 990529595 /nfs/dbraw/zinc/52/95/95/990529595.db2.gz ASCVUVUMDUEPBS-VQTJNVASSA-N 1 3 355.526 2.841 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(Cc4ccccc4)C3)CC2)CC[N@H+]1C ZINC001035709632 990529599 /nfs/dbraw/zinc/52/95/99/990529599.db2.gz ASCVUVUMDUEPBS-VQTJNVASSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681324 990953627 /nfs/dbraw/zinc/95/36/27/990953627.db2.gz NABKJAWHULPRJB-GCKMJXCFSA-N 1 3 355.526 2.625 20 0 FFADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681324 990953640 /nfs/dbraw/zinc/95/36/40/990953640.db2.gz NABKJAWHULPRJB-GCKMJXCFSA-N 1 3 355.526 2.625 20 0 FFADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923458382 991152463 /nfs/dbraw/zinc/15/24/63/991152463.db2.gz OLTNMTGRKGSFFB-IBGZPJMESA-N 1 3 373.541 2.644 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cncc(OCc3ccccc3)c1)CC2 ZINC000923452224 991155957 /nfs/dbraw/zinc/15/59/57/991155957.db2.gz PKUSWYMAEGKMJR-NRFANRHFSA-N 1 3 367.493 2.990 20 0 FFADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000923492469 991187136 /nfs/dbraw/zinc/18/71/36/991187136.db2.gz PDJLYKVIROTONR-LJQANCHMSA-N 1 3 367.493 2.553 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187809 991898139 /nfs/dbraw/zinc/89/81/39/991898139.db2.gz ZXLBPLZHGBQORQ-ZCNNSNEGSA-N 1 3 363.521 2.952 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CC2)C1 ZINC001079311188 992011829 /nfs/dbraw/zinc/01/18/29/992011829.db2.gz STBZWOFQCGBLGN-MOXGXCLJSA-N 1 3 359.489 2.604 20 0 FFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1 ZINC001079732200 992370956 /nfs/dbraw/zinc/37/09/56/992370956.db2.gz DEKPHAAJIVVPTH-UMSONDCASA-N 1 3 357.542 2.916 20 0 FFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC001079732200 992370967 /nfs/dbraw/zinc/37/09/67/992370967.db2.gz DEKPHAAJIVVPTH-UMSONDCASA-N 1 3 357.542 2.916 20 0 FFADHO Cn1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000414931167 992780096 /nfs/dbraw/zinc/78/00/96/992780096.db2.gz UFDBPVWHCOVFFZ-SJORKVTESA-N 1 3 356.470 2.608 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188861 992807945 /nfs/dbraw/zinc/80/79/45/992807945.db2.gz VLRZGWGQOCJEKN-DUXKGJEZSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188861 992807951 /nfs/dbraw/zinc/80/79/51/992807951.db2.gz VLRZGWGQOCJEKN-DUXKGJEZSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254972 992894214 /nfs/dbraw/zinc/89/42/14/992894214.db2.gz KLRCLCZWNNBFOD-AHRSYUTCSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254972 992894219 /nfs/dbraw/zinc/89/42/19/992894219.db2.gz KLRCLCZWNNBFOD-AHRSYUTCSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnccc1N(C)C ZINC001080794434 993378426 /nfs/dbraw/zinc/37/84/26/993378426.db2.gz VRRBGOLBLFQENF-RDTXWAMCSA-N 1 3 356.445 2.537 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnccc1N(C)C ZINC001080794434 993378430 /nfs/dbraw/zinc/37/84/30/993378430.db2.gz VRRBGOLBLFQENF-RDTXWAMCSA-N 1 3 356.445 2.537 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001080936051 993490923 /nfs/dbraw/zinc/49/09/23/993490923.db2.gz GHPGGYIGHZBQNP-JRGCBEDISA-N 1 3 357.542 2.773 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001080936051 993490927 /nfs/dbraw/zinc/49/09/27/993490927.db2.gz GHPGGYIGHZBQNP-JRGCBEDISA-N 1 3 357.542 2.773 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1)C1CC1 ZINC001081125600 993652659 /nfs/dbraw/zinc/65/26/59/993652659.db2.gz IPZGHULBBWYEOY-HBMCJLEFSA-N 1 3 355.526 2.711 20 0 FFADHO CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799269 993977468 /nfs/dbraw/zinc/97/74/68/993977468.db2.gz JWIJXAXTQISFTB-VAMGGRTRSA-N 1 3 363.546 2.565 20 0 FFADHO CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799269 993977474 /nfs/dbraw/zinc/97/74/74/993977474.db2.gz JWIJXAXTQISFTB-VAMGGRTRSA-N 1 3 363.546 2.565 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CC[C@@H]3CCC[N@@H+]3C)C2)O1 ZINC000880500738 1015857899 /nfs/dbraw/zinc/85/78/99/1015857899.db2.gz VEMQVYMZHNWDBV-HJNYFJLDSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CC[C@@H]3CCC[N@H+]3C)C2)O1 ZINC000880500738 1015857901 /nfs/dbraw/zinc/85/79/01/1015857901.db2.gz VEMQVYMZHNWDBV-HJNYFJLDSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000809975580 994654880 /nfs/dbraw/zinc/65/48/80/994654880.db2.gz ODRFTFFSRXKNII-FTRWYGJKSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000809975580 994654885 /nfs/dbraw/zinc/65/48/85/994654885.db2.gz ODRFTFFSRXKNII-FTRWYGJKSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000809975580 994654890 /nfs/dbraw/zinc/65/48/90/994654890.db2.gz ODRFTFFSRXKNII-FTRWYGJKSA-N 1 3 369.550 2.505 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810449811 994791813 /nfs/dbraw/zinc/79/18/13/994791813.db2.gz OKSSQLOXXHNJNX-WIYYLYMNSA-N 1 3 361.505 2.932 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810449811 994791827 /nfs/dbraw/zinc/79/18/27/994791827.db2.gz OKSSQLOXXHNJNX-WIYYLYMNSA-N 1 3 361.505 2.932 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000810712014 994896690 /nfs/dbraw/zinc/89/66/90/994896690.db2.gz XFHFDNYPBLUJRA-JQVVWYNYSA-N 1 3 373.516 2.789 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000810712014 994896693 /nfs/dbraw/zinc/89/66/93/994896693.db2.gz XFHFDNYPBLUJRA-JQVVWYNYSA-N 1 3 373.516 2.789 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001082557489 994927269 /nfs/dbraw/zinc/92/72/69/994927269.db2.gz HYFCOZRBALUIRL-OWCLPIDISA-N 1 3 357.489 2.733 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1)N(C)C ZINC001082588961 995001523 /nfs/dbraw/zinc/00/15/23/995001523.db2.gz AEWRGQCGKQITLF-CSMYWGQOSA-N 1 3 355.885 2.756 20 0 FFADHO CCCOc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C)c1 ZINC001082748431 995315718 /nfs/dbraw/zinc/31/57/18/995315718.db2.gz LSCXIJMGTFLPBV-AHRSYUTCSA-N 1 3 361.530 2.752 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC001082740666 995396007 /nfs/dbraw/zinc/39/60/07/995396007.db2.gz BRDRCDLAWCPXSH-UMVBOHGHSA-N 1 3 355.935 2.822 20 0 FFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001082743625 995402774 /nfs/dbraw/zinc/40/27/74/995402774.db2.gz OWOJMMYETUNEAA-VQIMIIECSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC001082766581 995450083 /nfs/dbraw/zinc/45/00/83/995450083.db2.gz IFCVVQXGWSVWRO-OCBCSQNSSA-N 1 3 358.873 2.730 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccn2)C1 ZINC001082852033 995648680 /nfs/dbraw/zinc/64/86/80/995648680.db2.gz PDQZOBMARWIDNC-RLLQIKCJSA-N 1 3 358.530 2.673 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccn2)C1 ZINC001082852033 995648683 /nfs/dbraw/zinc/64/86/83/995648683.db2.gz PDQZOBMARWIDNC-RLLQIKCJSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001082940898 995865742 /nfs/dbraw/zinc/86/57/42/995865742.db2.gz ZNIXATAOYJLYHW-RDTXWAMCSA-N 1 3 365.468 2.844 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084347397 996475693 /nfs/dbraw/zinc/47/56/93/996475693.db2.gz PQUUNFOMEQWRTL-YPAWHYETSA-N 1 3 367.537 2.678 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349605 996477815 /nfs/dbraw/zinc/47/78/15/996477815.db2.gz SNRQPWXLESEKEM-BHIFYINESA-N 1 3 367.537 2.624 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C3CC3)C[C@H]21)C1CC1 ZINC001084407066 996551216 /nfs/dbraw/zinc/55/12/16/996551216.db2.gz GVVFOMUDCPUSAB-CEMLEFRQSA-N 1 3 367.537 2.937 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C3CC3)C[C@H]21)C1CC1 ZINC001084407066 996551218 /nfs/dbraw/zinc/55/12/18/996551218.db2.gz GVVFOMUDCPUSAB-CEMLEFRQSA-N 1 3 367.537 2.937 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c(C)s1 ZINC001084631387 996737778 /nfs/dbraw/zinc/73/77/78/996737778.db2.gz PNBCGRAJIMCHCH-IEBWSBKVSA-N 1 3 361.555 2.739 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc5cc[nH]c5c4)C[C@H]32)C1 ZINC001084775603 997286071 /nfs/dbraw/zinc/28/60/71/997286071.db2.gz NSEXFAVWMFMBIH-FBBABVLZSA-N 1 3 366.509 2.542 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc5cc[nH]c5c4)C[C@H]32)C1 ZINC001084775603 997286081 /nfs/dbraw/zinc/28/60/81/997286081.db2.gz NSEXFAVWMFMBIH-FBBABVLZSA-N 1 3 366.509 2.542 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1 ZINC001084773508 997297131 /nfs/dbraw/zinc/29/71/31/997297131.db2.gz SJALUSMIHQAIAF-QKNQBKEWSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)c1 ZINC001084773508 997297142 /nfs/dbraw/zinc/29/71/42/997297142.db2.gz SJALUSMIHQAIAF-QKNQBKEWSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084850488 997659207 /nfs/dbraw/zinc/65/92/07/997659207.db2.gz GXSZEFXJWACBQM-NHCUHLMSSA-N 1 3 355.526 2.904 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000844224843 997716029 /nfs/dbraw/zinc/71/60/29/997716029.db2.gz JJVLTECQZDJQFN-KRWDZBQOSA-N 1 3 356.514 2.689 20 0 FFADHO Cc1ccc(CNC(=O)C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cc1F ZINC000903722871 1016154578 /nfs/dbraw/zinc/15/45/78/1016154578.db2.gz FAWPOQCNOLWYBO-GOSISDBHSA-N 1 3 361.505 2.852 20 0 FFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC000844323620 997810399 /nfs/dbraw/zinc/81/03/99/997810399.db2.gz HGMIILNFGRUQQP-BGYRXZFFSA-N 1 3 371.525 2.973 20 0 FFADHO CN1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC000844323620 997810409 /nfs/dbraw/zinc/81/04/09/997810409.db2.gz HGMIILNFGRUQQP-BGYRXZFFSA-N 1 3 371.525 2.973 20 0 FFADHO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](O)CN1CCCC1 ZINC000731751307 998225451 /nfs/dbraw/zinc/22/54/51/998225451.db2.gz QBUIYCFZLLELMF-LJQANCHMSA-N 1 3 360.477 2.537 20 0 FFADHO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](O)CN1CCCC1 ZINC000731751307 998225461 /nfs/dbraw/zinc/22/54/61/998225461.db2.gz QBUIYCFZLLELMF-LJQANCHMSA-N 1 3 360.477 2.537 20 0 FFADHO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](O)C[NH+]1CCCC1 ZINC000731751307 998225469 /nfs/dbraw/zinc/22/54/69/998225469.db2.gz QBUIYCFZLLELMF-LJQANCHMSA-N 1 3 360.477 2.537 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CCN(Cc3ccccn3)[C@H]2C1 ZINC001084957924 998355285 /nfs/dbraw/zinc/35/52/85/998355285.db2.gz DVDLJUZFNPSOHR-NRSPTQNISA-N 1 3 370.541 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CCN(Cc3ccccn3)[C@H]2C1 ZINC001084957924 998355294 /nfs/dbraw/zinc/35/52/94/998355294.db2.gz DVDLJUZFNPSOHR-NRSPTQNISA-N 1 3 370.541 2.767 20 0 FFADHO CCN1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001144387147 998448306 /nfs/dbraw/zinc/44/83/06/998448306.db2.gz AKHVGLRMVFHJJX-HXUWFJFHSA-N 1 3 355.526 2.843 20 0 FFADHO CCN1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001144387147 998448312 /nfs/dbraw/zinc/44/83/12/998448312.db2.gz AKHVGLRMVFHJJX-HXUWFJFHSA-N 1 3 355.526 2.843 20 0 FFADHO O=C(N1CC[C@H]2CCN(C/C=C/c3ccccc3)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC001085076197 998867975 /nfs/dbraw/zinc/86/79/75/998867975.db2.gz QKLVGZJXAPWUTJ-YIEYKEOMSA-N 1 3 365.521 2.718 20 0 FFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076301 998868611 /nfs/dbraw/zinc/86/86/11/998868611.db2.gz YOHGBQRWIUKPMM-XLIONFOSSA-N 1 3 371.500 2.653 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1CC ZINC001085217815 999185655 /nfs/dbraw/zinc/18/56/55/999185655.db2.gz RURSRRVTNKTCFR-GUDVDZBRSA-N 1 3 362.518 2.628 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1CC ZINC001085217815 999185656 /nfs/dbraw/zinc/18/56/56/999185656.db2.gz RURSRRVTNKTCFR-GUDVDZBRSA-N 1 3 362.518 2.628 20 0 FFADHO COc1cccc(CC2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)c1 ZINC000903902843 1016297426 /nfs/dbraw/zinc/29/74/26/1016297426.db2.gz ODIAUUXDFMQFFV-HXUWFJFHSA-N 1 3 370.541 2.809 20 0 FFADHO COC(=O)COc1ccc(CN(C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903914224 1016302400 /nfs/dbraw/zinc/30/24/00/1016302400.db2.gz HQBSXRFEFGKDPM-UHFFFAOYSA-N 1 3 354.450 2.516 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001085352605 999407002 /nfs/dbraw/zinc/40/70/02/999407002.db2.gz ORSQNZRZPIUNCY-KZNAEPCWSA-N 1 3 364.559 2.923 20 0 FFADHO CCC[NH+]1CCC(NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000743079633 999797597 /nfs/dbraw/zinc/79/75/97/999797597.db2.gz RMDAIHIDLZNCIG-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+]3CC[C@@H](C)C3)c(C)c2)CC1 ZINC000744453552 999857858 /nfs/dbraw/zinc/85/78/58/999857858.db2.gz WHTIUJAXFLGUPO-QGZVFWFLSA-N 1 3 373.545 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+]3CC[C@@H](C)C3)c(C)c2)CC1 ZINC000744453552 999857859 /nfs/dbraw/zinc/85/78/59/999857859.db2.gz WHTIUJAXFLGUPO-QGZVFWFLSA-N 1 3 373.545 2.600 20 0 FFADHO COc1ccc(CN2CC[C@@H]([NH2+]CCCN3CCC(C)CC3)CC2=O)cc1 ZINC001168893131 1000004001 /nfs/dbraw/zinc/00/40/01/1000004001.db2.gz OHEVGPZDZMNMAS-HXUWFJFHSA-N 1 3 373.541 2.898 20 0 FFADHO COc1ccc(CN2CC[C@@H](NCCC[NH+]3CCC(C)CC3)CC2=O)cc1 ZINC001168893131 1000004002 /nfs/dbraw/zinc/00/40/02/1000004002.db2.gz OHEVGPZDZMNMAS-HXUWFJFHSA-N 1 3 373.541 2.898 20 0 FFADHO CC[NH+]1CCC(N2CCC3(C[C@H](N(C)Cc4ccccn4)CO3)CC2)CC1 ZINC001169251716 1000035245 /nfs/dbraw/zinc/03/52/45/1000035245.db2.gz YIESZWAEZHWKFC-NRFANRHFSA-N 1 3 372.557 2.621 20 0 FFADHO COc1cc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)cc1O ZINC001206015035 1000067950 /nfs/dbraw/zinc/06/79/50/1000067950.db2.gz ZQAZKTAZDWUGAP-VXGBXAGGSA-N 1 3 357.292 2.970 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnc(C)s2)C1 ZINC001112548509 1001458462 /nfs/dbraw/zinc/45/84/62/1001458462.db2.gz DDKFDHAMNXCZGL-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000787387833 1001689712 /nfs/dbraw/zinc/68/97/12/1001689712.db2.gz YJWFFZJZZMIVGY-UHFFFAOYSA-N 1 3 361.534 2.634 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001182433463 1001863823 /nfs/dbraw/zinc/86/38/23/1001863823.db2.gz GXXHRESQHXXABZ-YLJYHZDGSA-N 1 3 361.530 2.973 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCCCCC1 ZINC000677834405 1016559402 /nfs/dbraw/zinc/55/94/02/1016559402.db2.gz LRLDMEGNEKOHJB-KRWDZBQOSA-N 1 3 359.514 2.846 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001092011160 1002278836 /nfs/dbraw/zinc/27/88/36/1002278836.db2.gz QZXRZXQAXSIHMO-CDXJDZJCSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001092011160 1002278844 /nfs/dbraw/zinc/27/88/44/1002278844.db2.gz QZXRZXQAXSIHMO-CDXJDZJCSA-N 1 3 359.489 2.590 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3C[N@H+](CCC4CC4)C[C@@]3(C)C2)C1 ZINC001092013350 1002285317 /nfs/dbraw/zinc/28/53/17/1002285317.db2.gz ODHLHLVSBIFZAK-QMMLZNLJSA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3C[N@@H+](CCC4CC4)C[C@@]3(C)C2)C1 ZINC001092013350 1002285326 /nfs/dbraw/zinc/28/53/26/1002285326.db2.gz ODHLHLVSBIFZAK-QMMLZNLJSA-N 1 3 365.537 2.779 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1)N(C)C ZINC001092021844 1002298334 /nfs/dbraw/zinc/29/83/34/1002298334.db2.gz KERCXQVXRXXXGT-GIWBLDEGSA-N 1 3 369.553 2.796 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1)N(C)C ZINC001092021844 1002298337 /nfs/dbraw/zinc/29/83/37/1002298337.db2.gz KERCXQVXRXXXGT-GIWBLDEGSA-N 1 3 369.553 2.796 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1)N(C)C ZINC001092022589 1002300735 /nfs/dbraw/zinc/30/07/35/1002300735.db2.gz YYYCDMTUWFCVHN-DYXWJJEUSA-N 1 3 361.505 2.777 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1)N(C)C ZINC001092022589 1002300745 /nfs/dbraw/zinc/30/07/45/1002300745.db2.gz YYYCDMTUWFCVHN-DYXWJJEUSA-N 1 3 361.505 2.777 20 0 FFADHO O=C(NCCN1CCC(Cc2ccccc2)CC1)C12CCC[NH+]1CCC2 ZINC001183558767 1002306745 /nfs/dbraw/zinc/30/67/45/1002306745.db2.gz OMXNDXZRDQZEDR-UHFFFAOYSA-N 1 3 355.526 2.686 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC001092050024 1002319095 /nfs/dbraw/zinc/31/90/95/1002319095.db2.gz NFPLUGBQGNKNMX-ZNLUXHQJSA-N 1 3 364.493 2.810 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+]([C@@H]1CCCc3ccccc31)C2 ZINC001092050024 1002319106 /nfs/dbraw/zinc/31/91/06/1002319106.db2.gz NFPLUGBQGNKNMX-ZNLUXHQJSA-N 1 3 364.493 2.810 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC001092050484 1002320773 /nfs/dbraw/zinc/32/07/73/1002320773.db2.gz UNHAOUBFTVCVSH-VMRPVKRXSA-N 1 3 368.456 2.559 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC001092050484 1002320785 /nfs/dbraw/zinc/32/07/85/1002320785.db2.gz UNHAOUBFTVCVSH-VMRPVKRXSA-N 1 3 368.456 2.559 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050493 1002321803 /nfs/dbraw/zinc/32/18/03/1002321803.db2.gz VBXTXKARMNWGEQ-KNQAVFIVSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050493 1002321811 /nfs/dbraw/zinc/32/18/11/1002321811.db2.gz VBXTXKARMNWGEQ-KNQAVFIVSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1cccc([C@@H](C)[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092050075 1002322497 /nfs/dbraw/zinc/32/24/97/1002322497.db2.gz OQDZAZPJXNSUJU-BLIXFSHQSA-N 1 3 352.482 2.802 20 0 FFADHO Cc1cccc([C@@H](C)[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092050075 1002322510 /nfs/dbraw/zinc/32/25/10/1002322510.db2.gz OQDZAZPJXNSUJU-BLIXFSHQSA-N 1 3 352.482 2.802 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccccc1 ZINC001086590835 1002472593 /nfs/dbraw/zinc/47/25/93/1002472593.db2.gz BDZNTLYZTGZCFC-XUVXKRRUSA-N 1 3 361.505 2.805 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1 ZINC001086590835 1002472598 /nfs/dbraw/zinc/47/25/98/1002472598.db2.gz BDZNTLYZTGZCFC-XUVXKRRUSA-N 1 3 361.505 2.805 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086592355 1002530600 /nfs/dbraw/zinc/53/06/00/1002530600.db2.gz JFMMQRZLGAGRDH-HBMCJLEFSA-N 1 3 355.526 2.998 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086592355 1002530605 /nfs/dbraw/zinc/53/06/05/1002530605.db2.gz JFMMQRZLGAGRDH-HBMCJLEFSA-N 1 3 355.526 2.998 20 0 FFADHO CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001170215255 1003048935 /nfs/dbraw/zinc/04/89/35/1003048935.db2.gz ANKRVTAJMAMLNY-NHCUHLMSSA-N 1 3 373.541 2.954 20 0 FFADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(F)c(CN3CCCC3)c2)O1 ZINC001170279852 1003097558 /nfs/dbraw/zinc/09/75/58/1003097558.db2.gz NRWLBILGONTZLC-GUDVDZBRSA-N 1 3 351.466 2.558 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3cccc(F)c3)CC2)CC[N@@H+]1C ZINC001001424147 1016799236 /nfs/dbraw/zinc/79/92/36/1016799236.db2.gz IHNAUZPMQCXAIT-VQTJNVASSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3cccc(F)c3)CC2)CC[N@H+]1C ZINC001001424147 1016799247 /nfs/dbraw/zinc/79/92/47/1016799247.db2.gz IHNAUZPMQCXAIT-VQTJNVASSA-N 1 3 361.505 2.884 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000678179502 1016859545 /nfs/dbraw/zinc/85/95/45/1016859545.db2.gz KMBDDKRXBBZFLN-UHFFFAOYSA-N 1 3 369.513 2.544 20 0 FFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001197929250 1004413143 /nfs/dbraw/zinc/41/31/43/1004413143.db2.gz FRDOEPFGQFZPJM-MRXNPFEDSA-N 1 3 360.502 2.849 20 0 FFADHO CN(C)c1ccncc1NC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC001198007562 1004442109 /nfs/dbraw/zinc/44/21/09/1004442109.db2.gz MGYHZHYPKNKVEM-UHFFFAOYSA-N 1 3 369.513 2.783 20 0 FFADHO COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001095626805 1016885705 /nfs/dbraw/zinc/88/57/05/1016885705.db2.gz XXZBTGITRSFFOL-FYQPLNBISA-N 1 3 371.525 2.709 20 0 FFADHO COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001095626805 1016885714 /nfs/dbraw/zinc/88/57/14/1016885714.db2.gz XXZBTGITRSFFOL-FYQPLNBISA-N 1 3 371.525 2.709 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc(Cl)n1 ZINC000851643542 1005902359 /nfs/dbraw/zinc/90/23/59/1005902359.db2.gz YMICSBPYDIUBMY-FGTMMUONSA-N 1 3 372.900 2.695 20 0 FFADHO CC(C)[NH+]1CCN(C2CCN(Cc3nn(C)c4ccccc34)CC2)CC1 ZINC000678296188 1017042473 /nfs/dbraw/zinc/04/24/73/1017042473.db2.gz UFRGAATZRBWYSD-UHFFFAOYSA-N 1 3 355.530 2.564 20 0 FFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCOC1 ZINC000882460181 1006405830 /nfs/dbraw/zinc/40/58/30/1006405830.db2.gz CRXHTZOPRXNRDJ-QUCCMNQESA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC001189054307 1006874624 /nfs/dbraw/zinc/87/46/24/1006874624.db2.gz CKZJWGLDMMSMOU-DLBZAZTESA-N 1 3 351.441 2.609 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000855346188 1007294755 /nfs/dbraw/zinc/29/47/55/1007294755.db2.gz QYXMUUUZKIOIPI-AWEZNQCLSA-N 1 3 364.921 2.752 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000855346188 1007294762 /nfs/dbraw/zinc/29/47/62/1007294762.db2.gz QYXMUUUZKIOIPI-AWEZNQCLSA-N 1 3 364.921 2.752 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001190248024 1007540709 /nfs/dbraw/zinc/54/07/09/1007540709.db2.gz WQJJBVRNRAPGEO-KOYCCAHFSA-N 1 3 355.526 2.963 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)C/C=C\c3ccccc3)C2)CC[N@H+]1C ZINC001190248024 1007540714 /nfs/dbraw/zinc/54/07/14/1007540714.db2.gz WQJJBVRNRAPGEO-KOYCCAHFSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H](CCCCNC/C(Cl)=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861937 1007545230 /nfs/dbraw/zinc/54/52/30/1007545230.db2.gz IMQSLHCWIFMBCS-PETYLHHDSA-N 1 3 350.334 2.910 20 0 FFADHO C[C@@H](CCCCNC/C(Cl)=C\Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861937 1007545238 /nfs/dbraw/zinc/54/52/38/1007545238.db2.gz IMQSLHCWIFMBCS-PETYLHHDSA-N 1 3 350.334 2.910 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001086820048 1007897300 /nfs/dbraw/zinc/89/73/00/1007897300.db2.gz NIACBSBHDHOQNI-LZLYRXPVSA-N 1 3 364.559 2.781 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCC3OCCCO3)C2)ccn1 ZINC000856600690 1007909391 /nfs/dbraw/zinc/90/93/91/1007909391.db2.gz WCEAISXBTLNGMT-LJQANCHMSA-N 1 3 363.502 2.528 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3OCCCO3)C2)ccn1 ZINC000856600690 1007909398 /nfs/dbraw/zinc/90/93/98/1007909398.db2.gz WCEAISXBTLNGMT-LJQANCHMSA-N 1 3 363.502 2.528 20 0 FFADHO Cc1noc(CCC[N@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)n1 ZINC000856604002 1007913410 /nfs/dbraw/zinc/91/34/10/1007913410.db2.gz RCALZJUXEKUOKT-LJQANCHMSA-N 1 3 373.501 2.699 20 0 FFADHO Cc1noc(CCC[N@@H+]2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)n1 ZINC000856604002 1007913415 /nfs/dbraw/zinc/91/34/15/1007913415.db2.gz RCALZJUXEKUOKT-LJQANCHMSA-N 1 3 373.501 2.699 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000818956761 1007993338 /nfs/dbraw/zinc/99/33/38/1007993338.db2.gz OXWUKLPVDPUJSB-JOCHJYFZSA-N 1 3 371.500 2.786 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3ccccc3F)cc2)CC1 ZINC000818956752 1007993424 /nfs/dbraw/zinc/99/34/24/1007993424.db2.gz ONHFYQBKQGNLEM-JOCHJYFZSA-N 1 3 371.500 2.786 20 0 FFADHO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)CC2 ZINC000886520620 1008714668 /nfs/dbraw/zinc/71/46/68/1008714668.db2.gz INQPNHXVRVKSPD-NMLBUPMWSA-N 1 3 351.498 2.544 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC001177843464 1008767058 /nfs/dbraw/zinc/76/70/58/1008767058.db2.gz BEYSPUQUHBJSOD-ICSRJNTNSA-N 1 3 360.546 2.908 20 0 FFADHO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccnc(CN)c3)n2)cc1 ZINC000822920226 1008817362 /nfs/dbraw/zinc/81/73/62/1008817362.db2.gz QPMQXTOMUOPUSE-UHFFFAOYSA-N 1 3 367.453 2.978 20 0 FFADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(O)cc2I)CC1 ZINC001206317880 1008894251 /nfs/dbraw/zinc/89/42/51/1008894251.db2.gz KFDIBOIQLVOISB-HNNXBMFYSA-N 1 3 374.266 2.948 20 0 FFADHO CN1CCC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001136709728 1009030720 /nfs/dbraw/zinc/03/07/20/1009030720.db2.gz VIZDGEMNLKBCEV-AEFFLSMTSA-N 1 3 369.431 2.651 20 0 FFADHO CN1CCC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001136709728 1009030734 /nfs/dbraw/zinc/03/07/34/1009030734.db2.gz VIZDGEMNLKBCEV-AEFFLSMTSA-N 1 3 369.431 2.651 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001092968458 1009523895 /nfs/dbraw/zinc/52/38/95/1009523895.db2.gz VBGUDRYJARCZFK-VQXUHVLHSA-N 1 3 363.933 2.841 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)n1C ZINC001206793138 1032430209 /nfs/dbraw/zinc/43/02/09/1032430209.db2.gz NININGMUERQEMB-DZFGPLHGSA-N 1 3 353.514 2.856 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)n1C ZINC001206793138 1032430213 /nfs/dbraw/zinc/43/02/13/1032430213.db2.gz NININGMUERQEMB-DZFGPLHGSA-N 1 3 353.514 2.856 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120548 1009918789 /nfs/dbraw/zinc/91/87/89/1009918789.db2.gz KZLZHKQCKIUJQQ-QBEMXAAPSA-N 1 3 353.938 2.545 20 0 FFADHO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001181102008 1009970276 /nfs/dbraw/zinc/97/02/76/1009970276.db2.gz HZLMITVGIOKDDZ-MDCZIUGASA-N 1 3 355.523 2.523 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001093288750 1010221723 /nfs/dbraw/zinc/22/17/23/1010221723.db2.gz SDPGJSLSXXKQKR-STXHMFSFSA-N 1 3 370.472 2.853 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001093820520 1010592467 /nfs/dbraw/zinc/59/24/67/1010592467.db2.gz LKHVLDHWTPTAHQ-NVXWUHKLSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001093824318 1010595573 /nfs/dbraw/zinc/59/55/73/1010595573.db2.gz PYOZIZGJGNFGHO-CDHQVMDDSA-N 1 3 361.505 2.680 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H](C)C1)N(C)C ZINC001093839547 1010610531 /nfs/dbraw/zinc/61/05/31/1010610531.db2.gz SDQMWZCHOLEQLG-OGWOLHLISA-N 1 3 367.484 2.735 20 0 FFADHO c1nc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)cn1C1CC1 ZINC000865418381 1010779838 /nfs/dbraw/zinc/77/98/38/1010779838.db2.gz JHNGXBGDVVDHTD-UHFFFAOYSA-N 1 3 353.514 2.910 20 0 FFADHO CC(C)Oc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001094072055 1010832498 /nfs/dbraw/zinc/83/24/98/1010832498.db2.gz MOXCFNLFRHAQDR-SJLPKXTDSA-N 1 3 370.497 2.624 20 0 FFADHO CCCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001094075047 1010834865 /nfs/dbraw/zinc/83/48/65/1010834865.db2.gz XJZWTULKRUZPOL-VQIMIIECSA-N 1 3 354.498 2.789 20 0 FFADHO C[C@@H]1C[C@H](NCc2ccnc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000865681735 1010840739 /nfs/dbraw/zinc/84/07/39/1010840739.db2.gz WRBZTMSRZQFRIV-YLJYHZDGSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@@H]1C[C@H](NCc2ccnc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000865681735 1010840745 /nfs/dbraw/zinc/84/07/45/1010840745.db2.gz WRBZTMSRZQFRIV-YLJYHZDGSA-N 1 3 362.481 2.805 20 0 FFADHO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C)o1 ZINC001094241544 1010984626 /nfs/dbraw/zinc/98/46/26/1010984626.db2.gz NCMCDYYLCLITAV-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO Cc1cccc(CN2CCO[C@@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)c1 ZINC000866556177 1011015955 /nfs/dbraw/zinc/01/59/55/1011015955.db2.gz YRZVPENKHDUDNU-QFIPXVFZSA-N 1 3 357.542 2.660 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cccnc2)CC3)CC[N@@H+]1C ZINC001094417911 1011102887 /nfs/dbraw/zinc/10/28/87/1011102887.db2.gz CUQWDQDHRKJFDC-GPQLQYNLSA-N 1 3 370.541 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cccnc2)CC3)CC[N@H+]1C ZINC001094417911 1011102889 /nfs/dbraw/zinc/10/28/89/1011102889.db2.gz CUQWDQDHRKJFDC-GPQLQYNLSA-N 1 3 370.541 2.673 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2)C12CCC[NH+]1CCC2 ZINC001094459382 1011147978 /nfs/dbraw/zinc/14/79/78/1011147978.db2.gz MHHGKHFNHLVGGO-TZIWHRDSSA-N 1 3 368.525 2.571 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)Nc3ccc4c(c3)CNCCO4)CC2)CC1 ZINC000868167843 1011188050 /nfs/dbraw/zinc/18/80/50/1011188050.db2.gz MQGOIWJPJZMDKB-UHFFFAOYSA-N 1 3 358.486 2.508 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001110161835 1011327416 /nfs/dbraw/zinc/32/74/16/1011327416.db2.gz VANUZHWQADAIKH-VSZNYVQBSA-N 1 3 369.500 2.874 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274409091 1011427603 /nfs/dbraw/zinc/42/76/03/1011427603.db2.gz RYNAPXJVTHDFGA-CTNGQTDRSA-N 1 3 358.530 2.704 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274409091 1011427607 /nfs/dbraw/zinc/42/76/07/1011427607.db2.gz RYNAPXJVTHDFGA-CTNGQTDRSA-N 1 3 358.530 2.704 20 0 FFADHO CCC[NH+](CCC)CC(=O)N1CCC[C@]2(C1)CN(C1CCCC1)CCO2 ZINC001274471171 1011458813 /nfs/dbraw/zinc/45/88/13/1011458813.db2.gz FZHZPKQEEOCXOJ-OAQYLSRUSA-N 1 3 365.562 2.744 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645483224 1011498554 /nfs/dbraw/zinc/49/85/54/1011498554.db2.gz PAOMSUBTGSBRGR-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645483224 1011498562 /nfs/dbraw/zinc/49/85/62/1011498562.db2.gz PAOMSUBTGSBRGR-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005748 1011562949 /nfs/dbraw/zinc/56/29/49/1011562949.db2.gz TUVDKNVIUOEJIC-SFHVURJKSA-N 1 3 361.917 2.829 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]31)C2 ZINC001172114479 1011644836 /nfs/dbraw/zinc/64/48/36/1011644836.db2.gz CWDFLTNIYNUBRD-OKAKVDCISA-N 1 3 371.525 2.955 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]31)C2 ZINC001172114479 1011644841 /nfs/dbraw/zinc/64/48/41/1011644841.db2.gz CWDFLTNIYNUBRD-OKAKVDCISA-N 1 3 371.525 2.955 20 0 FFADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115508 1011647908 /nfs/dbraw/zinc/64/79/08/1011647908.db2.gz XWKJCRVTDQELJI-LILSUDLASA-N 1 3 357.542 2.881 20 0 FFADHO COCCCN1CCC([NH+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001172250762 1011722737 /nfs/dbraw/zinc/72/27/37/1011722737.db2.gz HMBPYTNYUXIKQF-FGZHOGPDSA-N 1 3 371.569 2.860 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)CC[NH+](CC)CC)C[C@H](C1)O2 ZINC001275053833 1011862626 /nfs/dbraw/zinc/86/26/26/1011862626.db2.gz QYLMDDNPWOUQQH-AQNXPRMDSA-N 1 3 367.578 2.846 20 0 FFADHO COC(=O)[C@H]1CCC[C@H](N2CCC([NH3+])(Cc3cccc(OC)c3)CC2)C1 ZINC001172609309 1011881657 /nfs/dbraw/zinc/88/16/57/1011881657.db2.gz PIKNWMAQQIPKHV-ROUUACIJSA-N 1 3 360.498 2.763 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCc3ncc(Cn4cccn4)n3CC2)CC1 ZINC001173110738 1012258822 /nfs/dbraw/zinc/25/88/22/1012258822.db2.gz OJIPXMOVOKUBSR-UHFFFAOYSA-N 1 3 370.545 2.639 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)o1 ZINC000647184646 1012401228 /nfs/dbraw/zinc/40/12/28/1012401228.db2.gz VQJAOYQKTWBCDX-IRXDYDNUSA-N 1 3 360.502 2.968 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000647192860 1012404479 /nfs/dbraw/zinc/40/44/79/1012404479.db2.gz ATKCGHOFRIUOPC-MOPGFXCFSA-N 1 3 372.513 2.846 20 0 FFADHO CC[N@@H+]1CC[C@@H](N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001173359281 1012488684 /nfs/dbraw/zinc/48/86/84/1012488684.db2.gz DMLGAEAMJRHCHR-QZTJIDSGSA-N 1 3 363.571 2.898 20 0 FFADHO CC[N@H+]1CC[C@@H](N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001173359281 1012488690 /nfs/dbraw/zinc/48/86/90/1012488690.db2.gz DMLGAEAMJRHCHR-QZTJIDSGSA-N 1 3 363.571 2.898 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647493246 1012513292 /nfs/dbraw/zinc/51/32/92/1012513292.db2.gz WYGIVDHLPHYZHP-UHFFFAOYSA-N 1 3 357.473 2.742 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870955683 1012649301 /nfs/dbraw/zinc/64/93/01/1012649301.db2.gz WXRVIXCSOSRQCH-KRWDZBQOSA-N 1 3 372.494 2.523 20 0 FFADHO NC1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)Cc2ccccc2C1 ZINC000648160047 1012756262 /nfs/dbraw/zinc/75/62/62/1012756262.db2.gz RMENCMOKXXHMSL-UHFFFAOYSA-N 1 3 355.526 2.597 20 0 FFADHO CCCOc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)c1 ZINC001095242108 1012819459 /nfs/dbraw/zinc/81/94/59/1012819459.db2.gz FZXWFGCZPYNRRR-BVOGOJNSSA-N 1 3 371.525 2.791 20 0 FFADHO CCCOc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)c1 ZINC001095242108 1012819474 /nfs/dbraw/zinc/81/94/74/1012819474.db2.gz FZXWFGCZPYNRRR-BVOGOJNSSA-N 1 3 371.525 2.791 20 0 FFADHO FC(F)(F)CN1CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001173663461 1012850816 /nfs/dbraw/zinc/85/08/16/1012850816.db2.gz FSAKVIHSMGMQJT-UHFFFAOYSA-N 1 3 370.463 2.910 20 0 FFADHO [NH3+]C1(c2ccc(Cl)cc2)CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173747278 1012940533 /nfs/dbraw/zinc/94/05/33/1012940533.db2.gz ROOHHTFYVNHVRY-IAGOWNOFSA-N 1 3 360.893 2.760 20 0 FFADHO C[NH+]1CCN(c2cc(-c3noc([C@@H]4CCN4C4CCCC4)n3)ccn2)CC1 ZINC000924116493 1017135206 /nfs/dbraw/zinc/13/52/06/1017135206.db2.gz JQGSHEFMZKZLBN-KRWDZBQOSA-N 1 3 368.485 2.573 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001222041857 1032692581 /nfs/dbraw/zinc/69/25/81/1032692581.db2.gz IPVWWJGEELWJDS-NHCUHLMSSA-N 1 3 355.526 2.904 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C3CCCCC3)C2=O)[C@@H](C)C1 ZINC000678600624 1017386195 /nfs/dbraw/zinc/38/61/95/1017386195.db2.gz NHHLFGRNQITWEI-IHPCNDPISA-N 1 3 365.562 2.647 20 0 FFADHO CCn1cnnc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679721752 1017592054 /nfs/dbraw/zinc/59/20/54/1017592054.db2.gz REFANISBPGZXAP-SLFFLAALSA-N 1 3 353.514 2.731 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001097580625 1017662227 /nfs/dbraw/zinc/66/22/27/1017662227.db2.gz HOUGADNPJWETMC-LMCOJAPRSA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)[C@H](C1CC1)N1CCCC1 ZINC001097580625 1017662232 /nfs/dbraw/zinc/66/22/32/1017662232.db2.gz HOUGADNPJWETMC-LMCOJAPRSA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)[C@H](C1CC1)N1CCCC1 ZINC001097580625 1017662240 /nfs/dbraw/zinc/66/22/40/1017662240.db2.gz HOUGADNPJWETMC-LMCOJAPRSA-N 1 3 373.566 2.887 20 0 FFADHO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000925437887 1017739382 /nfs/dbraw/zinc/73/93/82/1017739382.db2.gz GRZAKJYKUZUYOL-GOSISDBHSA-N 1 3 366.509 2.628 20 0 FFADHO C[C@@H]1[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)CCN1Cc1ccccc1 ZINC000925558552 1017785786 /nfs/dbraw/zinc/78/57/86/1017785786.db2.gz SXLUMTQWHFRINE-GFRNBQLOSA-N 1 3 357.542 2.617 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CN1Cc1ccccc1 ZINC000925629435 1017803860 /nfs/dbraw/zinc/80/38/60/1017803860.db2.gz LZNXHVFPOAUGHI-HMXCVIKNSA-N 1 3 355.526 2.793 20 0 FFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853078 1018027295 /nfs/dbraw/zinc/02/72/95/1018027295.db2.gz IQYQUXOBBGNSNL-PDOICOKGSA-N 1 3 353.526 2.967 20 0 FFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853078 1018027307 /nfs/dbraw/zinc/02/73/07/1018027307.db2.gz IQYQUXOBBGNSNL-PDOICOKGSA-N 1 3 353.526 2.967 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000680946645 1018275152 /nfs/dbraw/zinc/27/51/52/1018275152.db2.gz SCRVHEYNAOHYRM-MISYRCLQSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccnn1CC1CCC1)C2 ZINC000926877173 1018278606 /nfs/dbraw/zinc/27/86/06/1018278606.db2.gz AKHAPQIRZVQGHY-FTYIMXBMSA-N 1 3 360.546 2.814 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccnn1CC1CCC1)C2 ZINC000926877173 1018278622 /nfs/dbraw/zinc/27/86/22/1018278622.db2.gz AKHAPQIRZVQGHY-FTYIMXBMSA-N 1 3 360.546 2.814 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)cc1CN1CCCCC1 ZINC000927134184 1018378131 /nfs/dbraw/zinc/37/81/31/1018378131.db2.gz HKESSFYUTJAJJZ-OXQOHEQNSA-N 1 3 372.513 2.799 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)C3CC[NH+](C)CC3)c2)CC1 ZINC000681182543 1018400390 /nfs/dbraw/zinc/40/03/90/1018400390.db2.gz KSOAGTYJZRHSEC-QGZVFWFLSA-N 1 3 373.545 2.680 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)c1 ZINC001095963009 1019614831 /nfs/dbraw/zinc/61/48/31/1019614831.db2.gz QGWSHRORDCYWOW-HKBOAZHASA-N 1 3 355.526 2.867 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cc(C)ccc2F)CC[N@@H+]1C ZINC001045044460 1019797243 /nfs/dbraw/zinc/79/72/43/1019797243.db2.gz JNEMAHNCGGWUJN-CMKODMSKSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cc(C)ccc2F)CC[N@H+]1C ZINC001045044460 1019797260 /nfs/dbraw/zinc/79/72/60/1019797260.db2.gz JNEMAHNCGGWUJN-CMKODMSKSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ncccc2C)CC[N@@H+]1C ZINC001045781729 1020129304 /nfs/dbraw/zinc/12/93/04/1020129304.db2.gz WKKRIEWJVAKMGI-XODKDNOYSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ncccc2C)CC[N@H+]1C ZINC001045781729 1020129311 /nfs/dbraw/zinc/12/93/11/1020129311.db2.gz WKKRIEWJVAKMGI-XODKDNOYSA-N 1 3 370.541 2.686 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)C1 ZINC001096348824 1020176595 /nfs/dbraw/zinc/17/65/95/1020176595.db2.gz WXGFUJNOTITAQT-YRXWBPOGSA-N 1 3 361.555 2.744 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)C1 ZINC001096348824 1020176603 /nfs/dbraw/zinc/17/66/03/1020176603.db2.gz WXGFUJNOTITAQT-YRXWBPOGSA-N 1 3 361.555 2.744 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001096354595 1020204009 /nfs/dbraw/zinc/20/40/09/1020204009.db2.gz LCQUVXFAQFDAPZ-AABGKKOBSA-N 1 3 353.510 2.621 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCc4c2cccc4F)C3)CC[N@@H+]1C ZINC001072752384 1020302147 /nfs/dbraw/zinc/30/21/47/1020302147.db2.gz HXGKWBBJFBQBBC-JXXFODFXSA-N 1 3 371.500 2.688 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCc4c2cccc4F)C3)CC[N@H+]1C ZINC001072752384 1020302155 /nfs/dbraw/zinc/30/21/55/1020302155.db2.gz HXGKWBBJFBQBBC-JXXFODFXSA-N 1 3 371.500 2.688 20 0 FFADHO C[C@H](c1ccccc1F)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752683 1020305514 /nfs/dbraw/zinc/30/55/14/1020305514.db2.gz XBGQEXOOOHKIDV-JFIYKMOQSA-N 1 3 359.489 2.761 20 0 FFADHO C[C@H](c1ccccc1F)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752683 1020305521 /nfs/dbraw/zinc/30/55/21/1020305521.db2.gz XBGQEXOOOHKIDV-JFIYKMOQSA-N 1 3 359.489 2.761 20 0 FFADHO CNc1ccccc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000902599644 1020330838 /nfs/dbraw/zinc/33/08/38/1020330838.db2.gz IQCUZSURNLAYFS-UHFFFAOYSA-N 1 3 366.509 2.715 20 0 FFADHO C[C@H](NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1cn(C)nn1 ZINC000902894724 1020552659 /nfs/dbraw/zinc/55/26/59/1020552659.db2.gz OFUUIEWHYPZHLD-BZSNNMDCSA-N 1 3 371.529 2.675 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc4c(c3)COC4)C2)CC[N@@H+]1C ZINC001046330728 1020594333 /nfs/dbraw/zinc/59/43/33/1020594333.db2.gz RKHIOCKPPDDELA-TUNNFDKTSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc4c(c3)COC4)C2)CC[N@H+]1C ZINC001046330728 1020594335 /nfs/dbraw/zinc/59/43/35/1020594335.db2.gz RKHIOCKPPDDELA-TUNNFDKTSA-N 1 3 371.525 2.528 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1C ZINC001098219874 1020740195 /nfs/dbraw/zinc/74/01/95/1020740195.db2.gz WEEVZWAEFLZTQZ-BQJUDKOJSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1C ZINC001098219874 1020740201 /nfs/dbraw/zinc/74/02/01/1020740201.db2.gz WEEVZWAEFLZTQZ-BQJUDKOJSA-N 1 3 355.526 2.867 20 0 FFADHO CN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@@H]1CCCN(C)C1 ZINC000932420572 1020795485 /nfs/dbraw/zinc/79/54/85/1020795485.db2.gz AZHCQUQBSNWCAQ-WOJBJXKFSA-N 1 3 371.529 2.529 20 0 FFADHO CN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@@H]1CCCN(C)C1 ZINC000932420572 1020795489 /nfs/dbraw/zinc/79/54/89/1020795489.db2.gz AZHCQUQBSNWCAQ-WOJBJXKFSA-N 1 3 371.529 2.529 20 0 FFADHO CC[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2)OC ZINC001098459253 1020925984 /nfs/dbraw/zinc/92/59/84/1020925984.db2.gz FDGVVKZCSITQDM-WCIQWLHISA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2)OC ZINC001098459253 1020925988 /nfs/dbraw/zinc/92/59/88/1020925988.db2.gz FDGVVKZCSITQDM-WCIQWLHISA-N 1 3 359.514 2.508 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2CN(Cc2cccc(F)c2)C3)CC1 ZINC001099010671 1021586638 /nfs/dbraw/zinc/58/66/38/1021586638.db2.gz JYQMONOMEDMEFG-RXVVDRJESA-N 1 3 359.489 2.638 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC001099118827 1021850645 /nfs/dbraw/zinc/85/06/45/1021850645.db2.gz DFGFDDVIPKZLND-CBQOVEMMSA-N 1 3 370.541 2.511 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC001099118827 1021850662 /nfs/dbraw/zinc/85/06/62/1021850662.db2.gz DFGFDDVIPKZLND-CBQOVEMMSA-N 1 3 370.541 2.511 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001111467325 1021949773 /nfs/dbraw/zinc/94/97/73/1021949773.db2.gz FGEQQPCGDQQYND-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001111467325 1021949782 /nfs/dbraw/zinc/94/97/82/1021949782.db2.gz FGEQQPCGDQQYND-YSTOQKLRSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001099500653 1022637262 /nfs/dbraw/zinc/63/72/62/1022637262.db2.gz ZVMUNVUYZXRKCZ-FFZOFVMBSA-N 1 3 353.526 2.826 20 0 FFADHO [NH3+]CC[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC001122293156 1023172760 /nfs/dbraw/zinc/17/27/60/1023172760.db2.gz JEZKQIIQDBOLLX-WMZOPIPTSA-N 1 3 369.431 2.638 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)cc2)CC1 ZINC001122323052 1023189386 /nfs/dbraw/zinc/18/93/86/1023189386.db2.gz HGBFYNGILQHLAH-JOCHJYFZSA-N 1 3 370.541 2.575 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000948385862 1023248198 /nfs/dbraw/zinc/24/81/98/1023248198.db2.gz PVHZWXIFKGGPCT-LSTHTHJFSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000948385862 1023248204 /nfs/dbraw/zinc/24/82/04/1023248204.db2.gz PVHZWXIFKGGPCT-LSTHTHJFSA-N 1 3 361.505 2.979 20 0 FFADHO CC[NH+](CC)CCOc1cccc(NC(=O)c2cc3n(n2)CCC[C@@H]3N)c1 ZINC001122428394 1023260987 /nfs/dbraw/zinc/26/09/87/1023260987.db2.gz MKVZMXOOJQDRGM-KRWDZBQOSA-N 1 3 371.485 2.650 20 0 FFADHO O[C@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)COCc1ccccc1Cl ZINC001120591433 1023374984 /nfs/dbraw/zinc/37/49/84/1023374984.db2.gz WTMDWPPHXWVUEF-PKOBYXMFSA-N 1 3 366.933 2.929 20 0 FFADHO O[C@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)COCc1ccccc1Cl ZINC001120591433 1023374990 /nfs/dbraw/zinc/37/49/90/1023374990.db2.gz WTMDWPPHXWVUEF-PKOBYXMFSA-N 1 3 366.933 2.929 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001111307749 1023754996 /nfs/dbraw/zinc/75/49/96/1023754996.db2.gz VBESYFZPAGSVMZ-NRSPTQNISA-N 1 3 373.541 2.909 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001111307749 1023754999 /nfs/dbraw/zinc/75/49/99/1023754999.db2.gz VBESYFZPAGSVMZ-NRSPTQNISA-N 1 3 373.541 2.909 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001121915841 1024164315 /nfs/dbraw/zinc/16/43/15/1024164315.db2.gz MCZDFQLSQRXMKJ-ZWKOTPCHSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001121915841 1024164327 /nfs/dbraw/zinc/16/43/27/1024164327.db2.gz MCZDFQLSQRXMKJ-ZWKOTPCHSA-N 1 3 371.525 2.895 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@]2(C)C1 ZINC001101400431 1024636935 /nfs/dbraw/zinc/63/69/35/1024636935.db2.gz VZJSTHTYWRZZGS-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@@]2(C)C1 ZINC001101400431 1024636940 /nfs/dbraw/zinc/63/69/40/1024636940.db2.gz VZJSTHTYWRZZGS-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101400276 1024637520 /nfs/dbraw/zinc/63/75/20/1024637520.db2.gz PDTFWDKYQYIJMS-JZXOWHBKSA-N 1 3 357.489 2.544 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101400276 1024637524 /nfs/dbraw/zinc/63/75/24/1024637524.db2.gz PDTFWDKYQYIJMS-JZXOWHBKSA-N 1 3 357.489 2.544 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c(C)s1 ZINC001101476375 1024840777 /nfs/dbraw/zinc/84/07/77/1024840777.db2.gz QEMYIDMQBQWBQW-QUCCMNQESA-N 1 3 363.571 2.985 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c(C)s1 ZINC001101476375 1024840800 /nfs/dbraw/zinc/84/08/00/1024840800.db2.gz QEMYIDMQBQWBQW-QUCCMNQESA-N 1 3 363.571 2.985 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046209 1025351922 /nfs/dbraw/zinc/35/19/22/1025351922.db2.gz SFTAQIAOVJUXCR-DYESRHJHSA-N 1 3 369.553 2.844 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046209 1025351935 /nfs/dbraw/zinc/35/19/35/1025351935.db2.gz SFTAQIAOVJUXCR-DYESRHJHSA-N 1 3 369.553 2.844 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102048811 1025358013 /nfs/dbraw/zinc/35/80/13/1025358013.db2.gz POZIYILFAHYGGQ-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102048811 1025358028 /nfs/dbraw/zinc/35/80/28/1025358028.db2.gz POZIYILFAHYGGQ-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1F ZINC001102052014 1025364143 /nfs/dbraw/zinc/36/41/43/1025364143.db2.gz YWUMAIOURACIGI-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1F ZINC001102052014 1025364148 /nfs/dbraw/zinc/36/41/48/1025364148.db2.gz YWUMAIOURACIGI-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000637719236 1025545998 /nfs/dbraw/zinc/54/59/98/1025545998.db2.gz LORIEHDCPAUBPR-NQIIRXRSSA-N 1 3 372.557 2.941 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190523 1025554926 /nfs/dbraw/zinc/55/49/26/1025554926.db2.gz AYAMBWYRROMMPI-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@H](c1nc2ccccc2o1)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319082 1025740053 /nfs/dbraw/zinc/74/00/53/1025740053.db2.gz YDIZPIWUHRRELM-BZUAXINKSA-N 1 3 358.486 2.525 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1 ZINC001102369857 1025826090 /nfs/dbraw/zinc/82/60/90/1025826090.db2.gz IWBXRKGZODZNRT-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1 ZINC001102369857 1025826097 /nfs/dbraw/zinc/82/60/97/1025826097.db2.gz IWBXRKGZODZNRT-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102371525 1025832451 /nfs/dbraw/zinc/83/24/51/1025832451.db2.gz HFKTYYKRQQKBHR-CZTZKLFOSA-N 1 3 371.569 2.954 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102371525 1025832465 /nfs/dbraw/zinc/83/24/65/1025832465.db2.gz HFKTYYKRQQKBHR-CZTZKLFOSA-N 1 3 371.569 2.954 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000638448098 1025848429 /nfs/dbraw/zinc/84/84/29/1025848429.db2.gz ALQGGDCTPZEZNV-FQEVSTJZSA-N 1 3 359.558 2.724 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638672607 1025926850 /nfs/dbraw/zinc/92/68/50/1025926850.db2.gz DJKZLDAKACNGHY-GOSISDBHSA-N 1 3 351.450 2.629 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638672607 1025926856 /nfs/dbraw/zinc/92/68/56/1025926856.db2.gz DJKZLDAKACNGHY-GOSISDBHSA-N 1 3 351.450 2.629 20 0 FFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)OCCNC4)cc21 ZINC000638670212 1025928011 /nfs/dbraw/zinc/92/80/11/1025928011.db2.gz FSDIZRKXKPBKDA-INIZCTEOSA-N 1 3 351.450 2.800 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000638725611 1025956087 /nfs/dbraw/zinc/95/60/87/1025956087.db2.gz CHOCGIBHCCXOLQ-IBGZPJMESA-N 1 3 359.514 2.570 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCCC1 ZINC001102430515 1025962994 /nfs/dbraw/zinc/96/29/94/1025962994.db2.gz UUCMYIWCGBBKEA-JFIYKMOQSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCCC1 ZINC001102430515 1025962997 /nfs/dbraw/zinc/96/29/97/1025962997.db2.gz UUCMYIWCGBBKEA-JFIYKMOQSA-N 1 3 371.516 2.980 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1C ZINC001102472259 1026041250 /nfs/dbraw/zinc/04/12/50/1026041250.db2.gz RJQHWJGPHLBPIU-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1C ZINC001102472259 1026041266 /nfs/dbraw/zinc/04/12/66/1026041266.db2.gz RJQHWJGPHLBPIU-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514224 1026183623 /nfs/dbraw/zinc/18/36/23/1026183623.db2.gz QOZMTXYDJHAVDX-BPQIPLTHSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514224 1026183629 /nfs/dbraw/zinc/18/36/29/1026183629.db2.gz QOZMTXYDJHAVDX-BPQIPLTHSA-N 1 3 363.933 2.866 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N(C)CC[N@H+](C)C1CCN(C)CC1)CC2 ZINC000639170339 1026205480 /nfs/dbraw/zinc/20/54/80/1026205480.db2.gz TXLIDHMNJVJPHG-LJQANCHMSA-N 1 3 361.530 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N(C)CC[N@@H+](C)C1CCN(C)CC1)CC2 ZINC000639170339 1026205494 /nfs/dbraw/zinc/20/54/94/1026205494.db2.gz TXLIDHMNJVJPHG-LJQANCHMSA-N 1 3 361.530 2.649 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001102525320 1026220535 /nfs/dbraw/zinc/22/05/35/1026220535.db2.gz WMBMQEOTWFKVRL-ZACQAIPSSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001102525320 1026220549 /nfs/dbraw/zinc/22/05/49/1026220549.db2.gz WMBMQEOTWFKVRL-ZACQAIPSSA-N 1 3 359.505 2.838 20 0 FFADHO Cc1nc(C(F)(F)F)ccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001141437706 1026305986 /nfs/dbraw/zinc/30/59/86/1026305986.db2.gz HLUATMAZJRPGRR-UHFFFAOYSA-N 1 3 370.463 2.868 20 0 FFADHO O[C@]1(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639542927 1026358804 /nfs/dbraw/zinc/35/88/04/1026358804.db2.gz ABAJZXQLLQCWIS-MZYLBHOOSA-N 1 3 369.553 2.572 20 0 FFADHO O[C@]1(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639542927 1026358816 /nfs/dbraw/zinc/35/88/16/1026358816.db2.gz ABAJZXQLLQCWIS-MZYLBHOOSA-N 1 3 369.553 2.572 20 0 FFADHO O[C@@]1(CN2CCC(c3ccncc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639613745 1026398349 /nfs/dbraw/zinc/39/83/49/1026398349.db2.gz VXNMQYOCWKVFED-JOCHJYFZSA-N 1 3 351.494 2.898 20 0 FFADHO O[C@@]1(CN2CCC(c3ccncc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639613745 1026398357 /nfs/dbraw/zinc/39/83/57/1026398357.db2.gz VXNMQYOCWKVFED-JOCHJYFZSA-N 1 3 351.494 2.898 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)cc1 ZINC001102600651 1026400659 /nfs/dbraw/zinc/40/06/59/1026400659.db2.gz OOTVRFZSNSXWTB-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)cc1 ZINC001102600651 1026400662 /nfs/dbraw/zinc/40/06/62/1026400662.db2.gz OOTVRFZSNSXWTB-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO O=C1OCCN1C[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000839614120 1026758957 /nfs/dbraw/zinc/75/89/57/1026758957.db2.gz PLRGKDBKAVNCBH-HXUWFJFHSA-N 1 3 357.498 2.947 20 0 FFADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088494 1026950487 /nfs/dbraw/zinc/95/04/87/1026950487.db2.gz DRWHQGFUUKQOSG-SZVBFZGTSA-N 1 3 363.571 2.705 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088494 1026950491 /nfs/dbraw/zinc/95/04/91/1026950491.db2.gz DRWHQGFUUKQOSG-SZVBFZGTSA-N 1 3 363.571 2.705 20 0 FFADHO CN1CCC(N(c2nnc(Cl)c3ccsc32)C2CC[NH2+]CC2)CC1 ZINC001158575932 1027064263 /nfs/dbraw/zinc/06/42/63/1027064263.db2.gz ZXEMDGODXANODV-UHFFFAOYSA-N 1 3 365.934 2.997 20 0 FFADHO CCOc1ccc(Cl)nc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158581785 1027066295 /nfs/dbraw/zinc/06/62/95/1027066295.db2.gz VXGUUYNIDOKSIU-UHFFFAOYSA-N 1 3 352.910 2.786 20 0 FFADHO O=C([C@H]1CC[C@@H](C(F)(F)F)CN1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968353 1027211741 /nfs/dbraw/zinc/21/17/41/1027211741.db2.gz OSRAAVGFFGJXJY-HZPDHXFCSA-N 1 3 373.463 2.784 20 0 FFADHO O=C([C@H]1CC[C@@H](C(F)(F)F)CN1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968353 1027211754 /nfs/dbraw/zinc/21/17/54/1027211754.db2.gz OSRAAVGFFGJXJY-HZPDHXFCSA-N 1 3 373.463 2.784 20 0 FFADHO O=C([C@H]1CCC[C@H](c2ccccc2)N1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290873 1027340853 /nfs/dbraw/zinc/34/08/53/1027340853.db2.gz IKHONMKBBHFVEF-WOJBJXKFSA-N 1 3 353.510 2.814 20 0 FFADHO O=C([C@H]1CCC[C@H](c2ccccc2)N1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290873 1027340866 /nfs/dbraw/zinc/34/08/66/1027340866.db2.gz IKHONMKBBHFVEF-WOJBJXKFSA-N 1 3 353.510 2.814 20 0 FFADHO C[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378712 1027351458 /nfs/dbraw/zinc/35/14/58/1027351458.db2.gz GJATZBOPZMRVRE-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc(N2CCC([NH3+])CC2)n1 ZINC001159594298 1027440094 /nfs/dbraw/zinc/44/00/94/1027440094.db2.gz DYJXJZKQWDLIJR-HNNXBMFYSA-N 1 3 362.481 2.882 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(Cl)nc2c1C[N@H+](C)CC2 ZINC001159597397 1027441419 /nfs/dbraw/zinc/44/14/19/1027441419.db2.gz HBGNPQBFUCEUTI-LBPRGKRZSA-N 1 3 368.872 2.990 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(Cl)nc2c1C[N@@H+](C)CC2 ZINC001159597397 1027441427 /nfs/dbraw/zinc/44/14/27/1027441427.db2.gz HBGNPQBFUCEUTI-LBPRGKRZSA-N 1 3 368.872 2.990 20 0 FFADHO CN1CCN(Cc2ccc(Nc3ccc4c(c3)CC[NH2+]CC4)cc2)CC1 ZINC001159679036 1027465310 /nfs/dbraw/zinc/46/53/10/1027465310.db2.gz KVNISOKQUCHSSR-UHFFFAOYSA-N 1 3 350.510 2.866 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438636 1027485680 /nfs/dbraw/zinc/48/56/80/1027485680.db2.gz UBHLKXVAWNTWNZ-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438636 1027485685 /nfs/dbraw/zinc/48/56/85/1027485685.db2.gz UBHLKXVAWNTWNZ-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438627 1027485953 /nfs/dbraw/zinc/48/59/53/1027485953.db2.gz TUNIXGRKURHQBK-RTBURBONSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438627 1027485959 /nfs/dbraw/zinc/48/59/59/1027485959.db2.gz TUNIXGRKURHQBK-RTBURBONSA-N 1 3 367.578 2.609 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439741 1027489441 /nfs/dbraw/zinc/48/94/41/1027489441.db2.gz RQGAAHOEXUSBPX-HZPDHXFCSA-N 1 3 366.575 2.695 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439741 1027489448 /nfs/dbraw/zinc/48/94/48/1027489448.db2.gz RQGAAHOEXUSBPX-HZPDHXFCSA-N 1 3 366.575 2.695 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1C)N(C)C ZINC001103444840 1027494277 /nfs/dbraw/zinc/49/42/77/1027494277.db2.gz LQJIMDAPACYQGA-XYPHTWIQSA-N 1 3 366.575 2.674 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1C)N(C)C ZINC001103444840 1027494282 /nfs/dbraw/zinc/49/42/82/1027494282.db2.gz LQJIMDAPACYQGA-XYPHTWIQSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(Cl)nc4c3CCNC4)c2c1 ZINC001160003947 1027560220 /nfs/dbraw/zinc/56/02/20/1027560220.db2.gz GDZDCELXLYWNIX-GFCCVEGCSA-N 1 3 355.873 2.918 20 0 FFADHO Fc1ccc(O[C@@H]2CC[NH2+]C2)c(NC2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001160141529 1027608608 /nfs/dbraw/zinc/60/86/08/1027608608.db2.gz DQJICNWFWURHOK-QZTJIDSGSA-N 1 3 361.461 2.747 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2c(C)nsc2C)C[C@H]1C ZINC001103550430 1027665134 /nfs/dbraw/zinc/66/51/34/1027665134.db2.gz PXTXDKQRJFTHKY-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2c(C)nsc2C)C[C@H]1C ZINC001103550430 1027665141 /nfs/dbraw/zinc/66/51/41/1027665141.db2.gz PXTXDKQRJFTHKY-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)CC2CC[NH2+]CC2)cc1 ZINC001160955806 1027942122 /nfs/dbraw/zinc/94/21/22/1027942122.db2.gz HRIIRAJTPPRHCG-FQEVSTJZSA-N 1 3 373.541 2.898 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC001160955718 1027942280 /nfs/dbraw/zinc/94/22/80/1027942280.db2.gz GAZGADUVMNPGIN-KAGYGMCKSA-N 1 3 371.525 2.508 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001160955711 1027944253 /nfs/dbraw/zinc/94/42/53/1027944253.db2.gz FYINJOSWPFAFKY-SLYNCCJLSA-N 1 3 373.541 2.754 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)C2CC[NH2+]CC2)cc1 ZINC001160958394 1027945830 /nfs/dbraw/zinc/94/58/30/1027945830.db2.gz VSTGIFMMRMKQKH-LJQANCHMSA-N 1 3 359.514 2.508 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001160958018 1027947817 /nfs/dbraw/zinc/94/78/17/1027947817.db2.gz UDABPWWMCJFONU-WOJBJXKFSA-N 1 3 373.541 2.898 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103677221 1027958892 /nfs/dbraw/zinc/95/88/92/1027958892.db2.gz QHTALIJZASQPDO-VNQPRFMTSA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103677221 1027958910 /nfs/dbraw/zinc/95/89/10/1027958910.db2.gz QHTALIJZASQPDO-VNQPRFMTSA-N 1 3 368.472 2.770 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)c(C)n1 ZINC001103754629 1028141176 /nfs/dbraw/zinc/14/11/76/1028141176.db2.gz OBWJJVCTWZVRQF-VQIMIIECSA-N 1 3 360.546 2.613 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)c(C)n1 ZINC001103754629 1028141188 /nfs/dbraw/zinc/14/11/88/1028141188.db2.gz OBWJJVCTWZVRQF-VQIMIIECSA-N 1 3 360.546 2.613 20 0 FFADHO O=C([C@H]1CC[C@H](C(F)(F)F)CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592463 1028245045 /nfs/dbraw/zinc/24/50/45/1028245045.db2.gz SEPANDFZXBSHHD-GOEBONIOSA-N 1 3 367.415 2.538 20 0 FFADHO COc1cc(NC(=O)[C@@H]2CCCN2CC(C)C)ccc1OCC[NH+](C)C ZINC001162115818 1028441944 /nfs/dbraw/zinc/44/19/44/1028441944.db2.gz UIXOYVWYSSQFGI-KRWDZBQOSA-N 1 3 363.502 2.695 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1nccnc1C1SCCCS1 ZINC001163126048 1028813896 /nfs/dbraw/zinc/81/38/96/1028813896.db2.gz OLPWLVZKTUZVBZ-UHFFFAOYSA-N 1 3 354.549 2.623 20 0 FFADHO Brc1cccc2nc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH]c21 ZINC001163321854 1028893114 /nfs/dbraw/zinc/89/31/14/1028893114.db2.gz DWBKTPDTAJRVJV-ZUZCIYMTSA-N 1 3 351.248 2.648 20 0 FFADHO CN(C)C1(CNc2nc(Cl)ccc2CN2CCCC2)CC[NH+](C)CC1 ZINC001156182413 1029077982 /nfs/dbraw/zinc/07/79/82/1029077982.db2.gz RZKBDMLUPZUZOO-UHFFFAOYSA-N 1 3 365.953 2.769 20 0 FFADHO CN(C)c1ccc(Br)cc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164217616 1029208946 /nfs/dbraw/zinc/20/89/46/1029208946.db2.gz YQSOMDMONLQIGA-UHFFFAOYSA-N 1 3 369.351 2.953 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164485581 1029293786 /nfs/dbraw/zinc/29/37/86/1029293786.db2.gz IUYDFHDBXRQPHS-OKZBNKHCSA-N 1 3 365.481 2.628 20 0 FFADHO CN1CCOc2c1cnnc2N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164485581 1029293803 /nfs/dbraw/zinc/29/38/03/1029293803.db2.gz IUYDFHDBXRQPHS-OKZBNKHCSA-N 1 3 365.481 2.628 20 0 FFADHO Cc1cnc(N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)nc1C1C[NH2+]C1 ZINC001165198947 1029443492 /nfs/dbraw/zinc/44/34/92/1029443492.db2.gz WCAFLZZABIOIHB-SJORKVTESA-N 1 3 351.498 2.571 20 0 FFADHO Cc1cnc(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)c(CN)c1 ZINC001157536468 1029611670 /nfs/dbraw/zinc/61/16/70/1029611670.db2.gz KAJRTYVUVHPDSG-UHFFFAOYSA-N 1 3 366.391 2.548 20 0 FFADHO COc1cccc([C@H](N)CC(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001158032232 1029712535 /nfs/dbraw/zinc/71/25/35/1029712535.db2.gz RXGFJULVNCJTMS-CTNGQTDRSA-N 1 3 359.514 2.858 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC2)C1 ZINC001158267009 1029779382 /nfs/dbraw/zinc/77/93/82/1029779382.db2.gz HASPUUKBDCYQMU-ZDUSSCGKSA-N 1 3 370.888 2.766 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC2)C1 ZINC001158267009 1029779386 /nfs/dbraw/zinc/77/93/86/1029779386.db2.gz HASPUUKBDCYQMU-ZDUSSCGKSA-N 1 3 370.888 2.766 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC001158330799 1029799242 /nfs/dbraw/zinc/79/92/42/1029799242.db2.gz VDOQVLBOGPVGFI-IUODEOHRSA-N 1 3 358.313 2.930 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC001158330799 1029799245 /nfs/dbraw/zinc/79/92/45/1029799245.db2.gz VDOQVLBOGPVGFI-IUODEOHRSA-N 1 3 358.313 2.930 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000841018199 1029979597 /nfs/dbraw/zinc/97/95/97/1029979597.db2.gz RDTWRQMZFQAQCS-FQEVSTJZSA-N 1 3 367.497 2.650 20 0 FFADHO Cc1cccc(C)c1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160063 1030120441 /nfs/dbraw/zinc/12/04/41/1030120441.db2.gz QEHLDCOBVKWTCD-IAGOWNOFSA-N 1 3 371.447 2.734 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841876446 1030515706 /nfs/dbraw/zinc/51/57/06/1030515706.db2.gz FKZFHYIETTWTCH-UWJYYQICSA-N 1 3 366.509 2.508 20 0 FFADHO COc1ccc2c(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cc(=O)oc2c1 ZINC000842478830 1030755560 /nfs/dbraw/zinc/75/55/60/1030755560.db2.gz LGEYWLHLNFBNAE-VQIMIIECSA-N 1 3 372.465 2.520 20 0 FFADHO CC(C)OCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413367 1030770048 /nfs/dbraw/zinc/77/00/48/1030770048.db2.gz KSOGHMUMLSRIQL-ZJOUEHCJSA-N 1 3 367.578 2.606 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C/Cl)C1)N(C)C ZINC001112425548 1030791425 /nfs/dbraw/zinc/79/14/25/1030791425.db2.gz QSFBQQMXHSWVOT-YTOQXBRQSA-N 1 3 362.345 2.864 20 0 FFADHO Cc1cccc(CN2CCC([NH+]3CCC(N4CCN(C)CC4)CC3)CC2)c1 ZINC001203892467 1030962055 /nfs/dbraw/zinc/96/20/55/1030962055.db2.gz NDGXPTBWVIHOID-UHFFFAOYSA-N 1 3 370.585 2.671 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC001204269212 1031196456 /nfs/dbraw/zinc/19/64/56/1031196456.db2.gz WXRVLIWYQDIQQH-UHFFFAOYSA-N 1 3 373.541 2.852 20 0 FFADHO COc1ccc([C@@H](NC(=O)CN2CCC3(C2)CC[NH2+]CC3)C(C)C)cc1 ZINC000843363795 1031356884 /nfs/dbraw/zinc/35/68/84/1031356884.db2.gz AQJOQBLDBCAZSX-FQEVSTJZSA-N 1 3 359.514 2.584 20 0 FFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000843431393 1031400700 /nfs/dbraw/zinc/40/07/00/1031400700.db2.gz FJZUFCLBHFIFEV-KRWDZBQOSA-N 1 3 369.550 2.580 20 0 FFADHO O=C(Nc1cc([C@H]2CCCN2)no1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001218713039 1033296068 /nfs/dbraw/zinc/29/60/68/1033296068.db2.gz MDPLORVTUQEBCY-QGZVFWFLSA-N 1 3 354.454 2.894 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2c(c1)Cc1cc(N)ccc1-2 ZINC001218880542 1033392982 /nfs/dbraw/zinc/39/29/82/1033392982.db2.gz DNIOAKYAFYKECJ-FQEVSTJZSA-N 1 3 352.482 2.838 20 0 FFADHO COc1ccc(OC(F)(F)F)cc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218935873 1033416922 /nfs/dbraw/zinc/41/69/22/1033416922.db2.gz VZCQECPBNJKRDG-LBPRGKRZSA-N 1 3 363.380 2.592 20 0 FFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(C/C=C/c3ccccc3)[C@H]2C1 ZINC001223387640 1033420079 /nfs/dbraw/zinc/42/00/79/1033420079.db2.gz KLXMQFRVXJZBJS-JXNRKETESA-N 1 3 355.526 2.964 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC001218972974 1033435300 /nfs/dbraw/zinc/43/53/00/1033435300.db2.gz FOZBLYXCWUOOFI-IBGZPJMESA-N 1 3 356.470 2.658 20 0 FFADHO N[C@@]1(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)CCc2cc(F)ccc2C1 ZINC001218997446 1033448314 /nfs/dbraw/zinc/44/83/14/1033448314.db2.gz UPJDGMMCUJXWBC-UTKZUKDTSA-N 1 3 353.441 2.728 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001223455436 1033450886 /nfs/dbraw/zinc/45/08/86/1033450886.db2.gz XHLIUVRJFJWETD-SFTDATJTSA-N 1 3 374.573 2.969 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CCO[C@@H]2CN(CCCC3CCCC3)C[C@@H]21 ZINC001219001331 1033451699 /nfs/dbraw/zinc/45/16/99/1033451699.db2.gz XRQACYIAVSEYLX-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001219028139 1033476141 /nfs/dbraw/zinc/47/61/41/1033476141.db2.gz QNVBOKAANXLSEY-AEFFLSMTSA-N 1 3 351.450 2.500 20 0 FFADHO CC(=O)c1ccc(Oc2ccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2)cc1 ZINC001219227786 1033563002 /nfs/dbraw/zinc/56/30/02/1033563002.db2.gz NLYTYLIDDOXFCU-FQEVSTJZSA-N 1 3 367.449 2.947 20 0 FFADHO CCCN(C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC001224846405 1034030776 /nfs/dbraw/zinc/03/07/76/1034030776.db2.gz UNLITQRNJDRMEL-KSZLIROESA-N 1 3 352.567 2.869 20 0 FFADHO CCCN(C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC001224846405 1034030792 /nfs/dbraw/zinc/03/07/92/1034030792.db2.gz UNLITQRNJDRMEL-KSZLIROESA-N 1 3 352.567 2.869 20 0 FFADHO O=C(NCCC(c1ccccc1)c1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220248677 1034070322 /nfs/dbraw/zinc/07/03/22/1034070322.db2.gz ZIWJLOGBRSSCDE-NFBKMPQASA-N 1 3 363.505 2.524 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220254196 1034076125 /nfs/dbraw/zinc/07/61/25/1034076125.db2.gz MMGZWEYEPIOXNT-FQEVSTJZSA-N 1 3 353.510 2.927 20 0 FFADHO CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(=O)OC(C)(C)C ZINC001220400515 1034149948 /nfs/dbraw/zinc/14/99/48/1034149948.db2.gz FVCMWLVTUROBRN-DLBZAZTESA-N 1 3 371.566 2.745 20 0 FFADHO COc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1Cl ZINC001138476673 1034309677 /nfs/dbraw/zinc/30/96/77/1034309677.db2.gz RSIIZFVDPJEZHK-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO CNC(=O)C[N@@H+]1CCCC12CCN(Cc1c(C)cc(OC)c(C)c1C)CC2 ZINC001138724036 1034589853 /nfs/dbraw/zinc/58/98/53/1034589853.db2.gz BIUSGAVDLOTDST-UHFFFAOYSA-N 1 3 373.541 2.797 20 0 FFADHO CNC(=O)C[N@H+]1CCCC12CCN(Cc1c(C)cc(OC)c(C)c1C)CC2 ZINC001138724036 1034589865 /nfs/dbraw/zinc/58/98/65/1034589865.db2.gz BIUSGAVDLOTDST-UHFFFAOYSA-N 1 3 373.541 2.797 20 0 FFADHO O=C(N[C@H]1CC[C@@H](OCc2ccccc2)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221198437 1034598734 /nfs/dbraw/zinc/59/87/34/1034598734.db2.gz BPVAPGXHVJBIHD-HSALFYBXSA-N 1 3 371.525 2.505 20 0 FFADHO O=C(N[C@H]1CC[C@@H](OCc2ccccc2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221198437 1034598744 /nfs/dbraw/zinc/59/87/44/1034598744.db2.gz BPVAPGXHVJBIHD-HSALFYBXSA-N 1 3 371.525 2.505 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cc1 ZINC001138771179 1034637588 /nfs/dbraw/zinc/63/75/88/1034637588.db2.gz GZJZBTPHYJJFTG-FGZHOGPDSA-N 1 3 374.525 2.787 20 0 FFADHO CC(C)C(=O)N1CCC[C@@]12CCN(Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771016 1034637790 /nfs/dbraw/zinc/63/77/90/1034637790.db2.gz AEHLUJQKOIXYGR-QFIPXVFZSA-N 1 3 373.541 2.850 20 0 FFADHO CC(C)CC(=O)NC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772511 1034639893 /nfs/dbraw/zinc/63/98/93/1034639893.db2.gz NYPMASIQURLXBN-UHFFFAOYSA-N 1 3 361.530 2.754 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c4cc[nH]c4ncc3Cl)CC2)CC1 ZINC001138955378 1034841842 /nfs/dbraw/zinc/84/18/42/1034841842.db2.gz QQOAWMWDJKTYNS-UHFFFAOYSA-N 1 3 361.921 2.627 20 0 FFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1)C1CC1 ZINC001226800292 1034846674 /nfs/dbraw/zinc/84/66/74/1034846674.db2.gz JKMBNHRLKDHSHU-AQNXPRMDSA-N 1 3 365.562 2.550 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F)C1CCC1 ZINC001226830012 1034854596 /nfs/dbraw/zinc/85/45/96/1034854596.db2.gz ADISZJRNNFKSRA-WOJBJXKFSA-N 1 3 361.505 2.870 20 0 FFADHO CCO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC)C1CC1 ZINC001227149692 1034949904 /nfs/dbraw/zinc/94/99/04/1034949904.db2.gz CWUNPZJHQTYXMX-KZNAEPCWSA-N 1 3 353.551 2.549 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC001227150385 1034950775 /nfs/dbraw/zinc/95/07/75/1034950775.db2.gz PLXIYSDTONXANC-QRVBRYPASA-N 1 3 367.578 2.675 20 0 FFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC[C@H]1CCCCO1 ZINC001227160506 1034956776 /nfs/dbraw/zinc/95/67/76/1034956776.db2.gz HWAMFQMFOKEFIY-HXUWFJFHSA-N 1 3 363.546 2.819 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1C ZINC001221772773 1035055510 /nfs/dbraw/zinc/05/55/10/1035055510.db2.gz MESCRMXZFMBFDV-WOJBJXKFSA-N 1 3 355.526 2.678 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000834780084 1035448171 /nfs/dbraw/zinc/44/81/71/1035448171.db2.gz DQDITFHBMYKMOS-KQNFGGRRSA-N 1 3 356.466 2.814 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccns1)CC2 ZINC001232189268 1035492289 /nfs/dbraw/zinc/49/22/89/1035492289.db2.gz AIULVVANBBDYLF-KRWDZBQOSA-N 1 3 358.511 2.794 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccns1)CC2 ZINC001232189268 1035492293 /nfs/dbraw/zinc/49/22/93/1035492293.db2.gz AIULVVANBBDYLF-KRWDZBQOSA-N 1 3 358.511 2.794 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703897 1035685722 /nfs/dbraw/zinc/68/57/22/1035685722.db2.gz OJBOSGJJWOVOSE-VAMGGRTRSA-N 1 3 365.562 2.550 20 0 FFADHO CCO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001227900828 1035793474 /nfs/dbraw/zinc/79/34/74/1035793474.db2.gz PNWDBABNPIDIEF-QRVBRYPASA-N 1 3 365.562 2.693 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559785 1036178900 /nfs/dbraw/zinc/17/89/00/1036178900.db2.gz YILCDVYTMNZBML-GUDVDZBRSA-N 1 3 364.534 2.874 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001228646658 1036227585 /nfs/dbraw/zinc/22/75/85/1036227585.db2.gz JLIIKSCMTXRARV-OAGGEKHMSA-N 1 3 352.910 2.592 20 0 FFADHO Cc1cccc(F)c1CN1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277746313 1036232778 /nfs/dbraw/zinc/23/27/78/1036232778.db2.gz FIJYOUTXDNCYHZ-OAQYLSRUSA-N 1 3 361.505 2.900 20 0 FFADHO COc1cc(Cl)cc(F)c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001233001602 1036234095 /nfs/dbraw/zinc/23/40/95/1036234095.db2.gz FSXQEKCRGIATKN-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC001229212933 1036555964 /nfs/dbraw/zinc/55/59/64/1036555964.db2.gz FLQVEEULHXCYQB-RTBURBONSA-N 1 3 365.493 2.563 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC001229230479 1036565243 /nfs/dbraw/zinc/56/52/43/1036565243.db2.gz IDKKOBZIBCPOJU-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(COC)cc1 ZINC001229859975 1036941816 /nfs/dbraw/zinc/94/18/16/1036941816.db2.gz JRFTZFZBHKQVRM-WOJBJXKFSA-N 1 3 361.530 2.692 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCCCc2ccccc2)CC[N@@H+]1C ZINC001234402162 1037023018 /nfs/dbraw/zinc/02/30/18/1037023018.db2.gz IZLYTVKEZBATHP-HLAWJBBLSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCCCc2ccccc2)CC[N@H+]1C ZINC001234402162 1037023027 /nfs/dbraw/zinc/02/30/27/1037023027.db2.gz IZLYTVKEZBATHP-HLAWJBBLSA-N 1 3 357.542 2.882 20 0 FFADHO CCn1ccnc1CN1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001207142785 1037187094 /nfs/dbraw/zinc/18/70/94/1037187094.db2.gz UUPSNOCGYAOQHV-UHFFFAOYSA-N 1 3 360.527 2.832 20 0 FFADHO CCn1ccnc1CN1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001207142785 1037187108 /nfs/dbraw/zinc/18/71/08/1037187108.db2.gz UUPSNOCGYAOQHV-UHFFFAOYSA-N 1 3 360.527 2.832 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cc1F ZINC001230279691 1037192303 /nfs/dbraw/zinc/19/23/03/1037192303.db2.gz FMHCCTKZCKNUHF-QZTJIDSGSA-N 1 3 365.493 2.692 20 0 FFADHO COc1ccc(NC(=O)NC2CC[NH+](CC(C)(C)CN(C)C)CC2)cc1 ZINC001207284122 1037314835 /nfs/dbraw/zinc/31/48/35/1037314835.db2.gz JIFYNZIHJUCLAT-UHFFFAOYSA-N 1 3 362.518 2.869 20 0 FFADHO c1ccc(CN2CCN(c3ccccc3CN3CC[NH2+][C@@H]4C[C@@H]43)CC2)cc1 ZINC001235291479 1037456083 /nfs/dbraw/zinc/45/60/83/1037456083.db2.gz NQACCIVJFQMCET-GGAORHGYSA-N 1 3 362.521 2.555 20 0 FFADHO Cc1cc(OC(C)C)ncc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001235431746 1037546749 /nfs/dbraw/zinc/54/67/49/1037546749.db2.gz HWFHFXHYOFVEJY-UHFFFAOYSA-N 1 3 360.546 2.637 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001235694984 1037690665 /nfs/dbraw/zinc/69/06/65/1037690665.db2.gz MFHIXOMOAYSHKI-FQEVSTJZSA-N 1 3 373.541 2.646 20 0 FFADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207959855 1037894247 /nfs/dbraw/zinc/89/42/47/1037894247.db2.gz MSHLRHUJFQRLKG-LEWJYISDSA-N 1 3 373.541 2.954 20 0 FFADHO CCOC(=O)[C@]12CN(Cc3c(C)cc(OC)c(C)c3C)C[C@H]1C[NH2+]CC2 ZINC001236038690 1037900507 /nfs/dbraw/zinc/90/05/07/1037900507.db2.gz MPEJMSMRBNKGOO-DYESRHJHSA-N 1 3 360.498 2.595 20 0 FFADHO CC1(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CCOCC1 ZINC001207969086 1037909156 /nfs/dbraw/zinc/90/91/56/1037909156.db2.gz ZJAVLGKYJXPGQO-HKBOAZHASA-N 1 3 372.557 2.875 20 0 FFADHO CC1(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CCOCC1 ZINC001207969086 1037909170 /nfs/dbraw/zinc/90/91/70/1037909170.db2.gz ZJAVLGKYJXPGQO-HKBOAZHASA-N 1 3 372.557 2.875 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001255486829 1037966057 /nfs/dbraw/zinc/96/60/57/1037966057.db2.gz XIULVGHTZHXEML-RBUKOAKNSA-N 1 3 364.484 2.709 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001255486829 1037966066 /nfs/dbraw/zinc/96/60/66/1037966066.db2.gz XIULVGHTZHXEML-RBUKOAKNSA-N 1 3 364.484 2.709 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001255595743 1038040414 /nfs/dbraw/zinc/04/04/14/1038040414.db2.gz RAYSZWBXIXJRBC-LJQANCHMSA-N 1 3 374.529 2.893 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)CC1 ZINC001208109314 1038042161 /nfs/dbraw/zinc/04/21/61/1038042161.db2.gz IUBBSRRUNQZKHH-XUVXKRRUSA-N 1 3 359.514 2.562 20 0 FFADHO CN(C)CC1(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)CCCC1 ZINC001208184896 1038119521 /nfs/dbraw/zinc/11/95/21/1038119521.db2.gz HLVFYRPZQWZBQT-UHFFFAOYSA-N 1 3 357.546 2.599 20 0 FFADHO CN(C)CC1(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)CCCC1 ZINC001208184896 1038119531 /nfs/dbraw/zinc/11/95/31/1038119531.db2.gz HLVFYRPZQWZBQT-UHFFFAOYSA-N 1 3 357.546 2.599 20 0 FFADHO CO[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255677796 1038119856 /nfs/dbraw/zinc/11/98/56/1038119856.db2.gz XWKJCRVTDQELJI-DSBNJHONSA-N 1 3 357.542 2.881 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC001232145329 1038195598 /nfs/dbraw/zinc/19/55/98/1038195598.db2.gz PORDTUSDOPEWLE-ZWKOTPCHSA-N 1 3 355.457 2.668 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC001232145329 1038195602 /nfs/dbraw/zinc/19/56/02/1038195602.db2.gz PORDTUSDOPEWLE-ZWKOTPCHSA-N 1 3 355.457 2.668 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC001232145329 1038195609 /nfs/dbraw/zinc/19/56/09/1038195609.db2.gz PORDTUSDOPEWLE-ZWKOTPCHSA-N 1 3 355.457 2.668 20 0 FFADHO COc1cccc(OC)c1CN1CCC(n2ccc3c2CC[NH2+]C3)CC1 ZINC001255937113 1038263827 /nfs/dbraw/zinc/26/38/27/1038263827.db2.gz GDMODMFWCVMYEB-UHFFFAOYSA-N 1 3 355.482 2.988 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCOCCC(C)C)C[C@H]2C)C1 ZINC001208396319 1038283499 /nfs/dbraw/zinc/28/34/99/1038283499.db2.gz RULOZPYSXJEAFQ-HSALFYBXSA-N 1 3 367.578 2.608 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCOCCC(C)C)C[C@H]2C)C1 ZINC001208396319 1038283504 /nfs/dbraw/zinc/28/35/04/1038283504.db2.gz RULOZPYSXJEAFQ-HSALFYBXSA-N 1 3 367.578 2.608 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cccc4ncsc43)C[C@H]2CC1 ZINC001278902573 1038291828 /nfs/dbraw/zinc/29/18/28/1038291828.db2.gz OJMGYRMQUDBSNA-IYBDPMFKSA-N 1 3 372.538 2.528 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cccc4ncsc43)C[C@H]2CC1 ZINC001278902573 1038291835 /nfs/dbraw/zinc/29/18/35/1038291835.db2.gz OJMGYRMQUDBSNA-IYBDPMFKSA-N 1 3 372.538 2.528 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432163 1038309229 /nfs/dbraw/zinc/30/92/29/1038309229.db2.gz NULJIYKVGKPPIZ-RHSMWYFYSA-N 1 3 365.468 2.903 20 0 FFADHO Cc1cccc(CN2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)c1Cl ZINC001236855954 1038312173 /nfs/dbraw/zinc/31/21/73/1038312173.db2.gz KLKIXBPVPBKDER-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC001256034752 1038329869 /nfs/dbraw/zinc/32/98/69/1038329869.db2.gz YSKDEQBXYYSWIO-RBUKOAKNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC001256034752 1038329881 /nfs/dbraw/zinc/32/98/81/1038329881.db2.gz YSKDEQBXYYSWIO-RBUKOAKNSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)CC1 ZINC001208598475 1038437664 /nfs/dbraw/zinc/43/76/64/1038437664.db2.gz BMQUBFRDPWAKNJ-VAMGGRTRSA-N 1 3 359.514 2.672 20 0 FFADHO C[C@@H](CCc1ccc(Br)cc1)N1CCN(CCC[NH3+])CC1 ZINC001256220351 1038437835 /nfs/dbraw/zinc/43/78/35/1038437835.db2.gz KUFMLKFHAQIQEZ-HNNXBMFYSA-N 1 3 354.336 2.737 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c(N2CCCC2)c1 ZINC001237090126 1038441231 /nfs/dbraw/zinc/44/12/31/1038441231.db2.gz RXUGJIVCUYIPRS-VQTJNVASSA-N 1 3 360.521 2.636 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c(N2CCCC2)c1 ZINC001237090126 1038441236 /nfs/dbraw/zinc/44/12/36/1038441236.db2.gz RXUGJIVCUYIPRS-VQTJNVASSA-N 1 3 360.521 2.636 20 0 FFADHO CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1sc(=O)[n-]c1Cl ZINC001237163408 1038459271 /nfs/dbraw/zinc/45/92/71/1038459271.db2.gz BPSLIOHUAGRWQA-UHFFFAOYSA-N 1 3 362.971 2.988 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cc3ccccc3o2)C2CC2)CC[N@@H+]1C ZINC001276590342 1038541919 /nfs/dbraw/zinc/54/19/19/1038541919.db2.gz WBNAPELQBITNAP-ZMYBRWDISA-N 1 3 355.482 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cc3ccccc3o2)C2CC2)CC[N@H+]1C ZINC001276590342 1038541925 /nfs/dbraw/zinc/54/19/25/1038541925.db2.gz WBNAPELQBITNAP-ZMYBRWDISA-N 1 3 355.482 2.757 20 0 FFADHO C[C@@H]1C[C@H](NCCOc2ccccc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256527989 1038545292 /nfs/dbraw/zinc/54/52/92/1038545292.db2.gz BVPOQISZFGMTMC-IEBWSBKVSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@@H]1C[C@H](NCCOc2ccccc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256527989 1038545296 /nfs/dbraw/zinc/54/52/96/1038545296.db2.gz BVPOQISZFGMTMC-IEBWSBKVSA-N 1 3 367.493 2.807 20 0 FFADHO COC(=O)C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC001256684892 1038601353 /nfs/dbraw/zinc/60/13/53/1038601353.db2.gz VLMYWDHMMIBWNL-CTWPCTMYSA-N 1 3 352.519 2.731 20 0 FFADHO NCC[N@H+](C1CCC(N2CCOCC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001256685273 1038601389 /nfs/dbraw/zinc/60/13/89/1038601389.db2.gz AXCISHHZUFQGBN-UHFFFAOYSA-N 1 3 361.574 2.859 20 0 FFADHO NCC[N@@H+](C1CCC(N2CCOCC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001256685273 1038601391 /nfs/dbraw/zinc/60/13/91/1038601391.db2.gz AXCISHHZUFQGBN-UHFFFAOYSA-N 1 3 361.574 2.859 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256683385 1038601726 /nfs/dbraw/zinc/60/17/26/1038601726.db2.gz ZLOSLYLFYBBZKT-UMQBVGHOSA-N 1 3 367.534 2.665 20 0 FFADHO c1ccc(CN2CC[C@@H](C[NH+]3CCC(Oc4ncccn4)CC3)C2)cc1 ZINC001208950595 1038602567 /nfs/dbraw/zinc/60/25/67/1038602567.db2.gz VBQINIXGZCVGGI-IBGZPJMESA-N 1 3 352.482 2.842 20 0 FFADHO CN(C)C(=O)[C@H]1CC12CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208950901 1038602606 /nfs/dbraw/zinc/60/26/06/1038602606.db2.gz FYKCJBKNUODLPJ-WOJBJXKFSA-N 1 3 355.526 2.699 20 0 FFADHO CN(C)C(=O)[C@H]1CC12CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208950901 1038602609 /nfs/dbraw/zinc/60/26/09/1038602609.db2.gz FYKCJBKNUODLPJ-WOJBJXKFSA-N 1 3 355.526 2.699 20 0 FFADHO COc1ccc2c(c1)SC[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256687997 1038604197 /nfs/dbraw/zinc/60/41/97/1038604197.db2.gz MELHOIPRILILFA-ADKAHSJRSA-N 1 3 362.539 2.945 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCC[C@H](Oc4ncccn4)C3)C2)cc1 ZINC001208955881 1038606267 /nfs/dbraw/zinc/60/62/67/1038606267.db2.gz GHEWCUDJZFVPRY-UXHICEINSA-N 1 3 352.482 2.842 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@H+]3CCC[C@H](Oc4ncccn4)C3)C2)cc1 ZINC001208955881 1038606270 /nfs/dbraw/zinc/60/62/70/1038606270.db2.gz GHEWCUDJZFVPRY-UXHICEINSA-N 1 3 352.482 2.842 20 0 FFADHO Cc1cc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c(F)cc1Cl ZINC001276621932 1038699603 /nfs/dbraw/zinc/69/96/03/1038699603.db2.gz VFCMXBUAKKXIAO-IBGZPJMESA-N 1 3 367.896 2.774 20 0 FFADHO C[NH+](C)CCN1CCO[C@]2(CCCN(Cc3ccc4occc4c3)C2)C1 ZINC001279007727 1038763477 /nfs/dbraw/zinc/76/34/77/1038763477.db2.gz LPWWIVVXQZQDND-OAQYLSRUSA-N 1 3 357.498 2.661 20 0 FFADHO CN1CC2(C1)CC[NH+](C[C@H](O)COCc1c(Cl)cccc1Cl)CC2 ZINC001250902644 1038794565 /nfs/dbraw/zinc/79/45/65/1038794565.db2.gz CBIQPYGYKWEEKT-AWEZNQCLSA-N 1 3 373.324 2.899 20 0 FFADHO c1cncc(OC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CCCN3CCCCC3)O2)c1 ZINC001209450507 1038875064 /nfs/dbraw/zinc/87/50/64/1038875064.db2.gz MDXPVNSOVTUPGQ-NJDAHSKKSA-N 1 3 359.514 2.958 20 0 FFADHO c1cncc(OC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CCCN3CCCCC3)O2)c1 ZINC001209450507 1038875085 /nfs/dbraw/zinc/87/50/85/1038875085.db2.gz MDXPVNSOVTUPGQ-NJDAHSKKSA-N 1 3 359.514 2.958 20 0 FFADHO O=C1Nc2ccc(C3=CC[C@@H](N4CCOCC4)CC3)cc2C12CC[NH2+]CC2 ZINC001245424632 1039003814 /nfs/dbraw/zinc/00/38/14/1039003814.db2.gz MBCWDXJAFVHUTJ-GOSISDBHSA-N 1 3 367.493 2.528 20 0 FFADHO Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CO2 ZINC001257954007 1039080454 /nfs/dbraw/zinc/08/04/54/1039080454.db2.gz HDOXBHAYJPTASH-BZSNNMDCSA-N 1 3 350.890 2.877 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)CC1 ZINC001258015102 1039114817 /nfs/dbraw/zinc/11/48/17/1039114817.db2.gz PKTAGOTWAWBJMS-FQEVSTJZSA-N 1 3 370.541 2.640 20 0 FFADHO O[C@@H](CN[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)COCc1c(Cl)cccc1Cl ZINC001245985604 1039176439 /nfs/dbraw/zinc/17/64/39/1039176439.db2.gz RNLPEUQKWALPDA-KHSSZTOVSA-N 1 3 373.324 2.849 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCc1ccc(Cl)cc1 ZINC001245989332 1039178612 /nfs/dbraw/zinc/17/86/12/1039178612.db2.gz TVDJEOQSCVDWAJ-ZWKOTPCHSA-N 1 3 354.828 2.681 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]CC2(N)CCCCC2)cc1 ZINC001245991737 1039178676 /nfs/dbraw/zinc/17/86/76/1039178676.db2.gz GXNQSCQKNPMVIC-SFHVURJKSA-N 1 3 362.514 2.753 20 0 FFADHO O[C@@H](CN[C@@H](c1ccccc1F)C1CC[NH2+]CC1)COc1ccccc1 ZINC001245998122 1039182370 /nfs/dbraw/zinc/18/23/70/1039182370.db2.gz GKLVPBKXGZGIND-LAUBAEHRSA-N 1 3 358.457 2.896 20 0 FFADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)ccc1F ZINC001246002038 1039185199 /nfs/dbraw/zinc/18/51/99/1039185199.db2.gz LHFCFZMGZDWKFT-ZUSMLRIVSA-N 1 3 352.400 2.994 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](CCCCF)C2)C1=O ZINC001276668387 1039191850 /nfs/dbraw/zinc/19/18/50/1039191850.db2.gz XWCREOMQWSMCSW-FPOVZHCZSA-N 1 3 361.505 2.616 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](CCCCF)C2)C1=O ZINC001276668387 1039191862 /nfs/dbraw/zinc/19/18/62/1039191862.db2.gz XWCREOMQWSMCSW-FPOVZHCZSA-N 1 3 361.505 2.616 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001246021625 1039196155 /nfs/dbraw/zinc/19/61/55/1039196155.db2.gz UBYLPEJKIYEANI-YDZRNGNQSA-N 1 3 366.839 2.995 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001246021625 1039196162 /nfs/dbraw/zinc/19/61/62/1039196162.db2.gz UBYLPEJKIYEANI-YDZRNGNQSA-N 1 3 366.839 2.995 20 0 FFADHO O[C@@H](CN[C@H](C1CCC1)C1C[NH2+]C1)COCc1c(Cl)cccc1Cl ZINC001246022059 1039196971 /nfs/dbraw/zinc/19/69/71/1039196971.db2.gz VCFRNRLBAXGUGP-KBXCAEBGSA-N 1 3 373.324 2.849 20 0 FFADHO O[C@H](COc1ccc(F)cc1)CN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246046258 1039215481 /nfs/dbraw/zinc/21/54/81/1039215481.db2.gz NJVXQXZEYAKHHZ-IBGZPJMESA-N 1 3 370.468 2.702 20 0 FFADHO COc1cccc(CC2CC[NH+](C[C@@H](O)[C@@H](N)Cc3ccccc3)CC2)c1 ZINC001246047389 1039216862 /nfs/dbraw/zinc/21/68/62/1039216862.db2.gz DLMHJVUKLJFYRM-XZOQPEGZSA-N 1 3 368.521 2.881 20 0 FFADHO C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246048031 1039217383 /nfs/dbraw/zinc/21/73/83/1039217383.db2.gz YQPYZSHNGLTIFX-RBUKOAKNSA-N 1 3 352.400 2.509 20 0 FFADHO C[N@@H+](CCc1ccc(F)cc1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246048031 1039217390 /nfs/dbraw/zinc/21/73/90/1039217390.db2.gz YQPYZSHNGLTIFX-RBUKOAKNSA-N 1 3 352.400 2.509 20 0 FFADHO O=C(OCc1ccccc1)[C@@H]1CCCN[C@H](NC2CCC3(C[NH2+]C3)CC2)C1 ZINC001246260173 1039290344 /nfs/dbraw/zinc/29/03/44/1039290344.db2.gz LYKGPFOAYOZKAE-UYAOXDASSA-N 1 3 371.525 2.567 20 0 FFADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246302054 1039306116 /nfs/dbraw/zinc/30/61/16/1039306116.db2.gz VOULJLFWBRGZHS-FPCVCCKLSA-N 1 3 370.534 2.782 20 0 FFADHO Fc1ccccc1CC1([NH2+][C@@H]2CCN[C@H](C(F)(F)F)C2)CCNCC1 ZINC001246380132 1039329173 /nfs/dbraw/zinc/32/91/73/1039329173.db2.gz FMOZZNCJODKOPB-ZBFHGGJFSA-N 1 3 359.411 2.763 20 0 FFADHO Fc1ccccc1CC1(N[C@@H]2CCN[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246380132 1039329182 /nfs/dbraw/zinc/32/91/82/1039329182.db2.gz FMOZZNCJODKOPB-ZBFHGGJFSA-N 1 3 359.411 2.763 20 0 FFADHO CCCCC[C@@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246408035 1039342305 /nfs/dbraw/zinc/34/23/05/1039342305.db2.gz BSHAGUYPWYNVEG-UOBLNPGPSA-N 1 3 356.551 2.847 20 0 FFADHO COc1ccc2cc(CC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O)ccc2c1 ZINC001246413014 1039344106 /nfs/dbraw/zinc/34/41/06/1039344106.db2.gz DWUUVPJDOXPIJT-YWZLYKJASA-N 1 3 357.498 2.742 20 0 FFADHO CC(C)(C)OC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246500452 1039372996 /nfs/dbraw/zinc/37/29/96/1039372996.db2.gz IDLDAWSSQCYILY-QYZOEREBSA-N 1 3 361.530 2.909 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]1CNCCC2 ZINC001246596152 1039408419 /nfs/dbraw/zinc/40/84/19/1039408419.db2.gz PBWNTISFGMTWTK-DLTWYDFYSA-N 1 3 362.436 2.972 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]1CNCCC2 ZINC001246596152 1039408425 /nfs/dbraw/zinc/40/84/25/1039408425.db2.gz PBWNTISFGMTWTK-DLTWYDFYSA-N 1 3 362.436 2.972 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H](C)CCc3ccc(OC)cc3)C[C@@H]1CNCCC2 ZINC001246593004 1039408839 /nfs/dbraw/zinc/40/88/39/1039408839.db2.gz FBUFKTRMGAODRT-LZNRXBQRSA-N 1 3 374.525 2.881 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H](C)CCc3ccc(OC)cc3)C[C@@H]1CNCCC2 ZINC001246593004 1039408844 /nfs/dbraw/zinc/40/88/44/1039408844.db2.gz FBUFKTRMGAODRT-LZNRXBQRSA-N 1 3 374.525 2.881 20 0 FFADHO O=C1CN(C2CCC(c3ccc(Cl)cc3)CC2)CC2(CC[NH2+]CC2)N1 ZINC001246631967 1039421432 /nfs/dbraw/zinc/42/14/32/1039421432.db2.gz YHWPCASDOYSFKY-UHFFFAOYSA-N 1 3 361.917 2.920 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001246637047 1039424592 /nfs/dbraw/zinc/42/45/92/1039424592.db2.gz XEWPPLHXZIAQIZ-YJBOKZPZSA-N 1 3 371.447 2.934 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCNC[C@@]2(CCCCN2)C1 ZINC001246637047 1039424602 /nfs/dbraw/zinc/42/46/02/1039424602.db2.gz XEWPPLHXZIAQIZ-YJBOKZPZSA-N 1 3 371.447 2.934 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCNC[C@@]2(CCCCN2)C1 ZINC001246637047 1039424607 /nfs/dbraw/zinc/42/46/07/1039424607.db2.gz XEWPPLHXZIAQIZ-YJBOKZPZSA-N 1 3 371.447 2.934 20 0 FFADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246670932 1039433523 /nfs/dbraw/zinc/43/35/23/1039433523.db2.gz GJKZXARJIONKET-NZPGVSJUSA-N 1 3 354.473 2.938 20 0 FFADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CCN1 ZINC001246670932 1039433532 /nfs/dbraw/zinc/43/35/32/1039433532.db2.gz GJKZXARJIONKET-NZPGVSJUSA-N 1 3 354.473 2.938 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(C4CCC5(CC[NH2+]C5)CC4)CCN3C2)c1 ZINC001246750792 1039463977 /nfs/dbraw/zinc/46/39/77/1039463977.db2.gz UEZKECLRZOCJMJ-JWKYQKFGSA-N 1 3 373.516 2.885 20 0 FFADHO CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246764788 1039471785 /nfs/dbraw/zinc/47/17/85/1039471785.db2.gz GLINRTUQTVNASK-XNMUZJSGSA-N 1 3 353.510 2.750 20 0 FFADHO CCC[NH+]1CCC(N2CCN3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)CC1 ZINC001258773408 1039507305 /nfs/dbraw/zinc/50/73/05/1039507305.db2.gz JDAKTVMPAAIPJY-FGZHOGPDSA-N 1 3 372.557 2.540 20 0 FFADHO CCC[NH+]1CCC(N2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CC1 ZINC001258772948 1039507682 /nfs/dbraw/zinc/50/76/82/1039507682.db2.gz CSCKFNVNUGZQON-QFIPXVFZSA-N 1 3 371.525 2.998 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC001252408613 1039532790 /nfs/dbraw/zinc/53/27/90/1039532790.db2.gz GNXYYWOEVDUWAL-PCCBWWKXSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC001252408613 1039532803 /nfs/dbraw/zinc/53/28/03/1039532803.db2.gz GNXYYWOEVDUWAL-PCCBWWKXSA-N 1 3 370.541 2.885 20 0 FFADHO CC(C)(C)OC(=O)CCN(CCC(=O)OC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246921535 1039533671 /nfs/dbraw/zinc/53/36/71/1039533671.db2.gz QTFNHRJKICCHQS-INIZCTEOSA-N 1 3 370.534 2.894 20 0 FFADHO c1ccc2c(c1)CCNC21CC[NH+](C2CCC(N3CCOCC3)CC2)CC1 ZINC001247006775 1039575858 /nfs/dbraw/zinc/57/58/58/1039575858.db2.gz VNGDTCFLPIKIOO-UHFFFAOYSA-N 1 3 369.553 2.767 20 0 FFADHO FC(F)(F)c1ccc(Cl)c(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247828821 1039974729 /nfs/dbraw/zinc/97/47/29/1039974729.db2.gz GFCYQEMVYWSHQA-JTQLQIEISA-N 1 3 358.751 2.685 20 0 FFADHO Fc1ccc(-c2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247829341 1039976065 /nfs/dbraw/zinc/97/60/65/1039976065.db2.gz HLXMDEIHRLJBJS-QGZVFWFLSA-N 1 3 350.397 2.819 20 0 FFADHO FC(F)(F)c1cccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1Cl ZINC001247831315 1039979103 /nfs/dbraw/zinc/97/91/03/1039979103.db2.gz RYUDXRGINLNQBP-SNVBAGLBSA-N 1 3 358.751 2.685 20 0 FFADHO CCCN(C[C@@H](O)C[NH+](CC)CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253192011 1040034630 /nfs/dbraw/zinc/03/46/30/1040034630.db2.gz HXIGYZLJFRSNCG-ROUUACIJSA-N 1 3 371.566 2.658 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2ccc(Br)cc12 ZINC001253206033 1040046435 /nfs/dbraw/zinc/04/64/35/1040046435.db2.gz JJGQYDMOWRTBTC-OAHLLOKOSA-N 1 3 368.319 2.765 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001253211117 1040047025 /nfs/dbraw/zinc/04/70/25/1040047025.db2.gz BAYFLHPHYXSSOZ-KRWDZBQOSA-N 1 3 355.473 2.865 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211358472 1040100638 /nfs/dbraw/zinc/10/06/38/1040100638.db2.gz CZUREJYLXXZXNC-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO OCc1ccc(CN[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)cc1 ZINC001278501303 1040174236 /nfs/dbraw/zinc/17/42/36/1040174236.db2.gz XNGNIHGDWJFHPZ-RTWAWAEBSA-N 1 3 354.498 2.600 20 0 FFADHO CC(C)(C)OC[C@H](O)CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001253480189 1040201222 /nfs/dbraw/zinc/20/12/22/1040201222.db2.gz ZMIWGSNFKCQMQA-LJQANCHMSA-N 1 3 373.541 2.940 20 0 FFADHO COCc1ccc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)s1 ZINC001278725377 1040212927 /nfs/dbraw/zinc/21/29/27/1040212927.db2.gz SGMPUSAWRGKOMO-IBGZPJMESA-N 1 3 351.560 2.744 20 0 FFADHO COCc1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)s1 ZINC001278725377 1040212933 /nfs/dbraw/zinc/21/29/33/1040212933.db2.gz SGMPUSAWRGKOMO-IBGZPJMESA-N 1 3 351.560 2.744 20 0 FFADHO CC1CCN(CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)CC1 ZINC001254227385 1040622933 /nfs/dbraw/zinc/62/29/33/1040622933.db2.gz FEXWAZVBTJPNCI-INIZCTEOSA-N 1 3 353.507 2.624 20 0 FFADHO CC1CC[NH+](CCCN[C@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)CC1 ZINC001254227385 1040622942 /nfs/dbraw/zinc/62/29/42/1040622942.db2.gz FEXWAZVBTJPNCI-INIZCTEOSA-N 1 3 353.507 2.624 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](CC)c2ccccc2)C[C@H]1OC ZINC001213756272 1040878918 /nfs/dbraw/zinc/87/89/18/1040878918.db2.gz OYHPGYAMLXWOSZ-VAMGGRTRSA-N 1 3 361.530 2.685 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](CC)c2ccccc2)C[C@H]1OC ZINC001213756272 1040878925 /nfs/dbraw/zinc/87/89/25/1040878925.db2.gz OYHPGYAMLXWOSZ-VAMGGRTRSA-N 1 3 361.530 2.685 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001254773942 1040943856 /nfs/dbraw/zinc/94/38/56/1040943856.db2.gz PAEQUQABJBZTAZ-SFHVURJKSA-N 1 3 372.513 2.993 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH+]1CCN(c3ccncc3)CC1)C2 ZINC001254773942 1040943874 /nfs/dbraw/zinc/94/38/74/1040943874.db2.gz PAEQUQABJBZTAZ-SFHVURJKSA-N 1 3 372.513 2.993 20 0 FFADHO CCCCN(C)CCC[NH2+][C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254802112 1040967714 /nfs/dbraw/zinc/96/77/14/1040967714.db2.gz HEMUZNZELODWKB-QGZVFWFLSA-N 1 3 369.550 2.867 20 0 FFADHO CCOc1cc(OC)ccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001250064758 1041107774 /nfs/dbraw/zinc/10/77/74/1041107774.db2.gz KJODFNXEGPWWJO-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255054279 1041120919 /nfs/dbraw/zinc/12/09/19/1041120919.db2.gz XIAZZHXDVBFMIZ-KLUKMEKLSA-N 1 3 367.534 2.616 20 0 FFADHO Cn1cc2c(n1)[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)OCC2 ZINC001255122248 1041156766 /nfs/dbraw/zinc/15/67/66/1041156766.db2.gz NVCPOZYQKJGJEB-MXEMCNAFSA-N 1 3 366.509 2.819 20 0 FFADHO CN(C)C(=O)N1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255128594 1041161898 /nfs/dbraw/zinc/16/18/98/1041161898.db2.gz DXBSRDFVNCIZBS-NCYKPQTJSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)C(=O)N1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255128594 1041161908 /nfs/dbraw/zinc/16/19/08/1041161908.db2.gz DXBSRDFVNCIZBS-NCYKPQTJSA-N 1 3 370.541 2.918 20 0 FFADHO C[NH+](C)CCN1C[C@@H]2CCN(Cc3cccc(Br)c3)[C@@H]2C1 ZINC001278589342 1041292489 /nfs/dbraw/zinc/29/24/89/1041292489.db2.gz HEMDTZDCBPTEOG-DOTOQJQBSA-N 1 3 352.320 2.517 20 0 FFADHO c1nnnn1-c1ccccc1CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389787 1041316655 /nfs/dbraw/zinc/31/66/55/1041316655.db2.gz SYHSJOXJCJTJLD-HXUWFJFHSA-N 1 3 362.481 2.807 20 0 FFADHO c1nnnn1-c1ccccc1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389787 1041316664 /nfs/dbraw/zinc/31/66/64/1041316664.db2.gz SYHSJOXJCJTJLD-HXUWFJFHSA-N 1 3 362.481 2.807 20 0 FFADHO COc1cccc([C@@H](O)C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001250707872 1041317507 /nfs/dbraw/zinc/31/75/07/1041317507.db2.gz XJFDUUDDFAXUKX-LEWJYISDSA-N 1 3 362.514 2.551 20 0 FFADHO COc1cccc([C@@H](O)C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001250707872 1041317518 /nfs/dbraw/zinc/31/75/18/1041317518.db2.gz XJFDUUDDFAXUKX-LEWJYISDSA-N 1 3 362.514 2.551 20 0 FFADHO OC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)CC1)[C@@H](O)c1ccccc1 ZINC001255393251 1041318309 /nfs/dbraw/zinc/31/83/09/1041318309.db2.gz MUMSVXBTAAOYOO-FKBYEOEOSA-N 1 3 354.494 2.725 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001214611208 1041503995 /nfs/dbraw/zinc/50/39/95/1041503995.db2.gz UGUCFFVFBGIYPD-RLLQIKCJSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOc2ccc(C)cc2)C1 ZINC001214999448 1041639772 /nfs/dbraw/zinc/63/97/72/1041639772.db2.gz HQKOTCDXQASYJD-IEBWSBKVSA-N 1 3 361.530 2.541 20 0 FFADHO Cn1nnnc1CCC[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001262378315 1041665925 /nfs/dbraw/zinc/66/59/25/1041665925.db2.gz YJMFIBIYLZACNQ-NRFANRHFSA-N 1 3 370.545 2.671 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234457 1041708499 /nfs/dbraw/zinc/70/84/99/1041708499.db2.gz WLRFEGXLDOMLGB-GDBMZVCRSA-N 1 3 364.559 2.653 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215541379 1041820251 /nfs/dbraw/zinc/82/02/51/1041820251.db2.gz ZXVVZVWGGJAYIL-GAAMPABNSA-N 1 3 353.526 2.992 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001215972906 1041921313 /nfs/dbraw/zinc/92/13/13/1041921313.db2.gz CYAYBAKEWXDFBU-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)C1 ZINC001215999106 1041927507 /nfs/dbraw/zinc/92/75/07/1041927507.db2.gz PNOOKZLULMHBGD-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2OC(C)C)C1 ZINC001216217336 1041980438 /nfs/dbraw/zinc/98/04/38/1041980438.db2.gz RRCZFTMGGWIJRA-IEBWSBKVSA-N 1 3 361.530 2.752 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2OC(C)C)C1 ZINC001216217336 1041980442 /nfs/dbraw/zinc/98/04/42/1041980442.db2.gz RRCZFTMGGWIJRA-IEBWSBKVSA-N 1 3 361.530 2.752 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C)sn1 ZINC001216773079 1042119670 /nfs/dbraw/zinc/11/96/70/1042119670.db2.gz YRZJDJYBFZCKLY-CRAIPNDOSA-N 1 3 364.559 2.654 20 0 FFADHO CC[C@H](C)c1ncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC001216918649 1042162655 /nfs/dbraw/zinc/16/26/55/1042162655.db2.gz QZQIKNPPOMZOLF-HNNXBMFYSA-N 1 3 374.533 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@@]23CCC[NH2+]C3)cc(Cl)n1 ZINC001263329218 1042243818 /nfs/dbraw/zinc/24/38/18/1042243818.db2.gz ZSUZGGNGSHAJOR-QAPCUYQASA-N 1 3 350.894 2.568 20 0 FFADHO CN1CCC[C@H](c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2CC2)C1 ZINC001263672737 1042429082 /nfs/dbraw/zinc/42/90/82/1042429082.db2.gz ZAWYQMAEMBDWMI-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO CN1CCC[C@H](c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2CC2)C1 ZINC001263672737 1042429086 /nfs/dbraw/zinc/42/90/86/1042429086.db2.gz ZAWYQMAEMBDWMI-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO CCc1noc(C)c1CNC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001264000352 1042574323 /nfs/dbraw/zinc/57/43/23/1042574323.db2.gz NKMVOIYIPDHSAV-WBVHZDCISA-N 1 3 364.534 2.604 20 0 FFADHO CC[C@@H](CN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C)OC ZINC001264150315 1042638362 /nfs/dbraw/zinc/63/83/62/1042638362.db2.gz BRRQLBMNVXXTBB-NJAFHUGGSA-N 1 3 353.551 2.643 20 0 FFADHO CC[C@@H](CN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C)OC ZINC001264150315 1042638363 /nfs/dbraw/zinc/63/83/63/1042638363.db2.gz BRRQLBMNVXXTBB-NJAFHUGGSA-N 1 3 353.551 2.643 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001264655742 1042773901 /nfs/dbraw/zinc/77/39/01/1042773901.db2.gz LYPPASDASXMZLV-MOPGFXCFSA-N 1 3 361.505 2.838 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001264655742 1042773906 /nfs/dbraw/zinc/77/39/06/1042773906.db2.gz LYPPASDASXMZLV-MOPGFXCFSA-N 1 3 361.505 2.838 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001279125672 1042909559 /nfs/dbraw/zinc/90/95/59/1042909559.db2.gz JKPFISWWQJWQKR-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3c[nH]c4cnccc34)CC2)C1 ZINC001279280289 1042981896 /nfs/dbraw/zinc/98/18/96/1042981896.db2.gz TXYIBCMQZLPGBW-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3c[nH]c4cnccc34)CC2)C1 ZINC001279280289 1042981900 /nfs/dbraw/zinc/98/19/00/1042981900.db2.gz TXYIBCMQZLPGBW-UHFFFAOYSA-N 1 3 355.530 2.803 20 0 FFADHO C[NH+](C)CCN1CC[C@H]2CN(Cc3cc(F)c(F)c(F)c3F)C[C@H]2CC1 ZINC001279360269 1043027145 /nfs/dbraw/zinc/02/71/45/1043027145.db2.gz VGSZUIJFCXZDDD-OKILXGFUSA-N 1 3 373.438 2.948 20 0 FFADHO CCCCc1nc(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c[nH]1 ZINC001279360856 1043027178 /nfs/dbraw/zinc/02/71/78/1043027178.db2.gz AKYSMTCQSZVXRW-UHFFFAOYSA-N 1 3 356.518 2.547 20 0 FFADHO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c1 ZINC001279375151 1043036430 /nfs/dbraw/zinc/03/64/30/1043036430.db2.gz UKOQCBUTOVIURD-HDICACEKSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c1 ZINC001279375151 1043036435 /nfs/dbraw/zinc/03/64/35/1043036435.db2.gz UKOQCBUTOVIURD-HDICACEKSA-N 1 3 363.933 2.880 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC001279378491 1043038187 /nfs/dbraw/zinc/03/81/87/1043038187.db2.gz XDTRBEKCGBMLGZ-UHFFFAOYSA-N 1 3 354.498 2.544 20 0 FFADHO Cc1cccnc1C[NH+]1CCC2(CCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001279380617 1043039914 /nfs/dbraw/zinc/03/99/14/1043039914.db2.gz XNKYXHAOBZPJMF-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO COc1cc(C)ccc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279400575 1043057420 /nfs/dbraw/zinc/05/74/20/1043057420.db2.gz YQIFWGZTKJWVMU-UHFFFAOYSA-N 1 3 354.498 2.798 20 0 FFADHO Clc1ncsc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279419029 1043090943 /nfs/dbraw/zinc/09/09/43/1043090943.db2.gz FGBMFKNXGLDHLM-OKILXGFUSA-N 1 3 351.907 2.864 20 0 FFADHO Clc1ncsc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279419029 1043090955 /nfs/dbraw/zinc/09/09/55/1043090955.db2.gz FGBMFKNXGLDHLM-OKILXGFUSA-N 1 3 351.907 2.864 20 0 FFADHO COc1cnc(CN2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001279444439 1043120614 /nfs/dbraw/zinc/12/06/14/1043120614.db2.gz WEZAONCHWRWBQP-GASCZTMLSA-N 1 3 372.435 2.972 20 0 FFADHO COc1cnc(CN2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001279444439 1043120615 /nfs/dbraw/zinc/12/06/15/1043120615.db2.gz WEZAONCHWRWBQP-GASCZTMLSA-N 1 3 372.435 2.972 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2C)CCC12C[NH2+]C2 ZINC001237429786 1043154429 /nfs/dbraw/zinc/15/44/29/1043154429.db2.gz KAIXWLHIEZVYBE-INIZCTEOSA-N 1 3 370.415 2.988 20 0 FFADHO CC1(C[N@H+]2C[C@@H]3CCN(Cc4cccc(=O)[nH]4)CC[C@@H]3C2)CCOCC1 ZINC001279476485 1043160087 /nfs/dbraw/zinc/16/00/87/1043160087.db2.gz PNTDQZXUNFZIOG-HDICACEKSA-N 1 3 359.514 2.748 20 0 FFADHO CC1(C[N@@H+]2C[C@@H]3CCN(Cc4cccc(=O)[nH]4)CC[C@@H]3C2)CCOCC1 ZINC001279476485 1043160091 /nfs/dbraw/zinc/16/00/91/1043160091.db2.gz PNTDQZXUNFZIOG-HDICACEKSA-N 1 3 359.514 2.748 20 0 FFADHO COCOc1cccc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)c1 ZINC001279476929 1043161588 /nfs/dbraw/zinc/16/15/88/1043161588.db2.gz WTJJXGVCWSFXKB-OAQYLSRUSA-N 1 3 361.530 2.519 20 0 FFADHO COCOc1cccc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)c1 ZINC001279476929 1043161589 /nfs/dbraw/zinc/16/15/89/1043161589.db2.gz WTJJXGVCWSFXKB-OAQYLSRUSA-N 1 3 361.530 2.519 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(C)nn4C)CC[C@@H]3C2)sn1 ZINC001279480532 1043165423 /nfs/dbraw/zinc/16/54/23/1043165423.db2.gz HARVEXPINFTAMK-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(Cc4cc(C)nn4C)CC[C@@H]3C2)sn1 ZINC001279480532 1043165428 /nfs/dbraw/zinc/16/54/28/1043165428.db2.gz HARVEXPINFTAMK-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C[C@H]3CCC[N@H+](C)C3)C[C@H](C1)O2 ZINC001279501135 1043194173 /nfs/dbraw/zinc/19/41/73/1043194173.db2.gz CSBYKVBRCBMJMU-MHTWAQMVSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C[C@H]3CCC[N@@H+](C)C3)C[C@H](C1)O2 ZINC001279501135 1043194181 /nfs/dbraw/zinc/19/41/81/1043194181.db2.gz CSBYKVBRCBMJMU-MHTWAQMVSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C[C@@H]3CCC[N@H+](C)C3)C[C@H](C1)O2 ZINC001279501133 1043195042 /nfs/dbraw/zinc/19/50/42/1043195042.db2.gz CSBYKVBRCBMJMU-JSXRDJHFSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@H](C1)O2 ZINC001279501133 1043195045 /nfs/dbraw/zinc/19/50/45/1043195045.db2.gz CSBYKVBRCBMJMU-JSXRDJHFSA-N 1 3 351.579 2.930 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1OC(C)C ZINC001279598444 1043317446 /nfs/dbraw/zinc/31/74/46/1043317446.db2.gz DRHTURGPBXFMEW-OALUTQOASA-N 1 3 361.530 2.693 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1OC(C)C ZINC001279598444 1043317451 /nfs/dbraw/zinc/31/74/51/1043317451.db2.gz DRHTURGPBXFMEW-OALUTQOASA-N 1 3 361.530 2.693 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cncc(Cl)c3)(C1)CCC2 ZINC001279638718 1043381589 /nfs/dbraw/zinc/38/15/89/1043381589.db2.gz JHGRHGMTGYAPHL-MSOLQXFVSA-N 1 3 353.894 2.880 20 0 FFADHO Cc1c(Br)cccc1CN1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001279639611 1043382913 /nfs/dbraw/zinc/38/29/13/1043382913.db2.gz PSEWHVPZQHTRMT-FUHWJXTLSA-N 1 3 366.347 2.825 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc4[nH]cnc4c3)(C1)CCC2 ZINC001279646626 1043395294 /nfs/dbraw/zinc/39/52/94/1043395294.db2.gz PFJHULSNNLVZPH-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc4nc[nH]c4c3)(C1)CCC2 ZINC001279646626 1043395301 /nfs/dbraw/zinc/39/53/01/1043395301.db2.gz PFJHULSNNLVZPH-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO Cc1csc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c1Cl ZINC001279658015 1043413993 /nfs/dbraw/zinc/41/39/93/1043413993.db2.gz SPPIKVPFGLPIQK-GASCZTMLSA-N 1 3 369.962 2.942 20 0 FFADHO Cc1csc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c1Cl ZINC001279658015 1043414001 /nfs/dbraw/zinc/41/40/01/1043414001.db2.gz SPPIKVPFGLPIQK-GASCZTMLSA-N 1 3 369.962 2.942 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c1Cl ZINC001279671372 1043439061 /nfs/dbraw/zinc/43/90/61/1043439061.db2.gz RZNSNMFGTGVBPG-CALCHBBNSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c1Cl ZINC001279671372 1043439063 /nfs/dbraw/zinc/43/90/63/1043439063.db2.gz RZNSNMFGTGVBPG-CALCHBBNSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1cc(CN2CCCC3(CC[NH+](Cc4cnc(N)s4)CC3)C2)n(C)n1 ZINC001279693909 1043483194 /nfs/dbraw/zinc/48/31/94/1043483194.db2.gz OCAZXHFUVVYTFL-UHFFFAOYSA-N 1 3 374.558 2.645 20 0 FFADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4ccc5nonc5c4)C[C@H]3CC2)c1 ZINC001279693821 1043483624 /nfs/dbraw/zinc/48/36/24/1043483624.db2.gz NMHKNNWPBCXTEA-CALCHBBNSA-N 1 3 351.454 2.895 20 0 FFADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@H]3CC2)c1 ZINC001279693821 1043483627 /nfs/dbraw/zinc/48/36/27/1043483627.db2.gz NMHKNNWPBCXTEA-CALCHBBNSA-N 1 3 351.454 2.895 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1sccc1Br ZINC001279705207 1043498034 /nfs/dbraw/zinc/49/80/34/1043498034.db2.gz VLOIXBFNHUVJHU-KBPBESRZSA-N 1 3 358.349 2.721 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1sccc1Br ZINC001279705207 1043498039 /nfs/dbraw/zinc/49/80/39/1043498039.db2.gz VLOIXBFNHUVJHU-KBPBESRZSA-N 1 3 358.349 2.721 20 0 FFADHO C[NH+](C)Cc1ccccc1N1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001279763106 1043605869 /nfs/dbraw/zinc/60/58/69/1043605869.db2.gz QSYOPDLBFCETRZ-OAQYLSRUSA-N 1 3 353.514 2.964 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@H]2CC23CCN(Cc2cccc(F)c2)CC3)CC1 ZINC001280002290 1044070558 /nfs/dbraw/zinc/07/05/58/1044070558.db2.gz PFRFVCFUKFSWLH-LJQANCHMSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cc(C(F)(F)F)ccc1F ZINC001239214506 1044072332 /nfs/dbraw/zinc/07/23/32/1044072332.db2.gz HFIUCARCAZCBRV-LBPRGKRZSA-N 1 3 374.382 2.840 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313188603 1044264539 /nfs/dbraw/zinc/26/45/39/1044264539.db2.gz XMPNVQCQQDMNNP-WOJBJXKFSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313188603 1044264555 /nfs/dbraw/zinc/26/45/55/1044264555.db2.gz XMPNVQCQQDMNNP-WOJBJXKFSA-N 1 3 358.530 2.600 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3CCCCc2ccccc2)CC1 ZINC001280157114 1044319254 /nfs/dbraw/zinc/31/92/54/1044319254.db2.gz GRRBHMYKEBGZLH-KNQAVFIVSA-N 1 3 355.526 2.684 20 0 FFADHO c1cn(CC[N@H+]2CC[C@H]3CN(COCc4ccccc4)C[C@H]3CC2)cn1 ZINC001280168924 1044342360 /nfs/dbraw/zinc/34/23/60/1044342360.db2.gz UVSHPYWSBRTOGX-OYRHEFFESA-N 1 3 354.498 2.701 20 0 FFADHO c1cn(CC[N@@H+]2CC[C@H]3CN(COCc4ccccc4)C[C@H]3CC2)cn1 ZINC001280168924 1044342374 /nfs/dbraw/zinc/34/23/74/1044342374.db2.gz UVSHPYWSBRTOGX-OYRHEFFESA-N 1 3 354.498 2.701 20 0 FFADHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@]3(CCCN(C[C@@H](C)O)C3)C2)cc1 ZINC001280186795 1044370344 /nfs/dbraw/zinc/37/03/44/1044370344.db2.gz SOBDGQMTZNKYGL-UTKZUKDTSA-N 1 3 359.514 2.704 20 0 FFADHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@]3(CCCN(C[C@@H](C)O)C3)C2)cc1 ZINC001280186795 1044370355 /nfs/dbraw/zinc/37/03/55/1044370355.db2.gz SOBDGQMTZNKYGL-UTKZUKDTSA-N 1 3 359.514 2.704 20 0 FFADHO C[C@@H](CN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)c1ccccc1 ZINC001280192908 1044380366 /nfs/dbraw/zinc/38/03/66/1044380366.db2.gz FMLZYGQCASFJEC-FXAWDEMLSA-N 1 3 355.526 2.665 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@@H]2C1 ZINC001316758555 1044916012 /nfs/dbraw/zinc/91/60/12/1044916012.db2.gz HAFGCVCEHBQXDY-CVEARBPZSA-N 1 3 363.468 2.841 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCCCC(F)(F)F)CC[C@@H]2C1 ZINC001316758555 1044916022 /nfs/dbraw/zinc/91/60/22/1044916022.db2.gz HAFGCVCEHBQXDY-CVEARBPZSA-N 1 3 363.468 2.841 20 0 FFADHO CN1CCN(c2cccc(-c3ccc(OCCC[NH+](C)C)nc3)c2)CC1 ZINC001243670411 1044988957 /nfs/dbraw/zinc/98/89/57/1044988957.db2.gz FJZQWAPDVXVHTN-UHFFFAOYSA-N 1 3 354.498 2.831 20 0 FFADHO Cc1cc(Br)cc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001278378070 1045105935 /nfs/dbraw/zinc/10/59/35/1045105935.db2.gz FGJMSQUCUNBJKN-FUHWJXTLSA-N 1 3 366.347 2.825 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001278378989 1045116804 /nfs/dbraw/zinc/11/68/04/1045116804.db2.gz GUOLXQYTJVXBHX-UHFFFAOYSA-N 1 3 359.493 2.552 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001278378989 1045116807 /nfs/dbraw/zinc/11/68/07/1045116807.db2.gz GUOLXQYTJVXBHX-UHFFFAOYSA-N 1 3 359.493 2.552 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001278378989 1045116813 /nfs/dbraw/zinc/11/68/13/1045116813.db2.gz GUOLXQYTJVXBHX-UHFFFAOYSA-N 1 3 359.493 2.552 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001278378989 1045116816 /nfs/dbraw/zinc/11/68/16/1045116816.db2.gz GUOLXQYTJVXBHX-UHFFFAOYSA-N 1 3 359.493 2.552 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)o1 ZINC001318465719 1045306928 /nfs/dbraw/zinc/30/69/28/1045306928.db2.gz RQNURIXSTLICBE-ROUUACIJSA-N 1 3 350.507 2.534 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCCc2ccccc2)CC[N@@H+]1C ZINC001323241170 1045515155 /nfs/dbraw/zinc/51/51/55/1045515155.db2.gz GSKKXSMUCZLLIC-QHAWAJNXSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCCc2ccccc2)CC[N@H+]1C ZINC001323241170 1045515162 /nfs/dbraw/zinc/51/51/62/1045515162.db2.gz GSKKXSMUCZLLIC-QHAWAJNXSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@@H](C)c3ccc(F)c(F)c3)CC2)CC[N@@H+]1C ZINC001323445246 1045592833 /nfs/dbraw/zinc/59/28/33/1045592833.db2.gz VWYRNJDHKJPINJ-DHSIGJKJSA-N 1 3 365.468 2.995 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@@H](C)c3ccc(F)c(F)c3)CC2)CC[N@H+]1C ZINC001323445246 1045592842 /nfs/dbraw/zinc/59/28/42/1045592842.db2.gz VWYRNJDHKJPINJ-DHSIGJKJSA-N 1 3 365.468 2.995 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C[C@@H]2CC(C)(C)CO2)C(C)C)CC[N@@H+]1C ZINC001284533413 1046564780 /nfs/dbraw/zinc/56/47/80/1046564780.db2.gz LAXNITKYGSQXRT-GBESFXJTSA-N 1 3 367.578 2.701 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C[C@@H]2CC(C)(C)CO2)C(C)C)CC[N@H+]1C ZINC001284533413 1046564794 /nfs/dbraw/zinc/56/47/94/1046564794.db2.gz LAXNITKYGSQXRT-GBESFXJTSA-N 1 3 367.578 2.701 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327091171 1047185756 /nfs/dbraw/zinc/18/57/56/1047185756.db2.gz YYYOQCDSJCMWAM-DLBZAZTESA-N 1 3 359.514 2.727 20 0 FFADHO COc1cccc([C@H](CNC(=O)[C@H]([NH3+])C2CCCCC2)N2CCCC2)c1 ZINC001328592376 1048373053 /nfs/dbraw/zinc/37/30/53/1048373053.db2.gz SDDYRRLVHDYFKG-VQTJNVASSA-N 1 3 359.514 2.856 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNCc2oc(C)nc2C)CC[N@@H+]1C ZINC001329291443 1048655286 /nfs/dbraw/zinc/65/52/86/1048655286.db2.gz UTNYPQVIFJEGHU-DLBZAZTESA-N 1 3 364.534 2.596 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNCc2oc(C)nc2C)CC[N@H+]1C ZINC001329291443 1048655293 /nfs/dbraw/zinc/65/52/93/1048655293.db2.gz UTNYPQVIFJEGHU-DLBZAZTESA-N 1 3 364.534 2.596 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)N(C)Cc1ccccc1 ZINC001333671650 1049044332 /nfs/dbraw/zinc/04/43/32/1049044332.db2.gz YUDKLURLVHMMFG-KRWDZBQOSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC001292934420 1049442641 /nfs/dbraw/zinc/44/26/41/1049442641.db2.gz XGVJWRGWTOHDHD-FQEVSTJZSA-N 1 3 357.542 2.932 20 0 FFADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC001292934420 1049442644 /nfs/dbraw/zinc/44/26/44/1049442644.db2.gz XGVJWRGWTOHDHD-FQEVSTJZSA-N 1 3 357.542 2.932 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC001292934421 1049442669 /nfs/dbraw/zinc/44/26/69/1049442669.db2.gz XGVJWRGWTOHDHD-HXUWFJFHSA-N 1 3 357.542 2.932 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC001292934421 1049442679 /nfs/dbraw/zinc/44/26/79/1049442679.db2.gz XGVJWRGWTOHDHD-HXUWFJFHSA-N 1 3 357.542 2.932 20 0 FFADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1c(F)cccc1F ZINC001331200367 1049504628 /nfs/dbraw/zinc/50/46/28/1049504628.db2.gz SDHNLCORVQPXCE-SPYBWZPUSA-N 1 3 367.484 2.926 20 0 FFADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1c(F)cccc1F ZINC001331200367 1049504634 /nfs/dbraw/zinc/50/46/34/1049504634.db2.gz SDHNLCORVQPXCE-SPYBWZPUSA-N 1 3 367.484 2.926 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001316662332 1050173158 /nfs/dbraw/zinc/17/31/58/1050173158.db2.gz NLZDFWKYSFDOCX-DLBZAZTESA-N 1 3 364.559 2.558 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001341552950 1050180469 /nfs/dbraw/zinc/18/04/69/1050180469.db2.gz NPSJOQGAELZPBG-UHFFFAOYSA-N 1 3 351.494 2.844 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001297576368 1050227958 /nfs/dbraw/zinc/22/79/58/1050227958.db2.gz LRLSTDBPFNEZDO-AEFFLSMTSA-N 1 3 351.922 2.974 20 0 FFADHO N[C@@H](C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1)C1CCCCC1 ZINC001342418627 1051014973 /nfs/dbraw/zinc/01/49/73/1051014973.db2.gz YMLISXCMRSRRIZ-GOSISDBHSA-N 1 3 355.486 2.876 20 0 FFADHO CCCN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC001342914647 1051524879 /nfs/dbraw/zinc/52/48/79/1051524879.db2.gz LFUADFXDQDJRDB-IFMALSPDSA-N 1 3 355.526 2.889 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001304856781 1051742020 /nfs/dbraw/zinc/74/20/20/1051742020.db2.gz VTXGRUYULTTYQT-UHFFFAOYSA-N 1 3 374.577 2.916 20 0 FFADHO CCOC(=O)c1c(C)[nH]nc1CN(CC(C)C)CC1CC[NH+](C)CC1 ZINC001308025249 1052386933 /nfs/dbraw/zinc/38/69/33/1052386933.db2.gz SIDPTNSMACJEBF-UHFFFAOYSA-N 1 3 350.507 2.695 20 0 FFADHO COCC[C@H](CNCC[C@@H](C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC001308367334 1052451588 /nfs/dbraw/zinc/45/15/88/1052451588.db2.gz SKUYBFFMUKSYEL-IAGOWNOFSA-N 1 3 357.539 2.770 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc2c(c1)C[NH2+]CC2 ZINC001346103217 1052749320 /nfs/dbraw/zinc/74/93/20/1052749320.db2.gz GKAUOWCQHAYSHG-UHFFFAOYSA-N 1 3 365.477 2.541 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1ccccc1C(F)(F)F ZINC001335411996 1053345139 /nfs/dbraw/zinc/34/51/39/1053345139.db2.gz FPBWRUCADZGXGL-SFHVURJKSA-N 1 3 372.431 2.972 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C[C@H](C)O1 ZINC001336739712 1054181926 /nfs/dbraw/zinc/18/19/26/1054181926.db2.gz QIPSPJJIEDRAFK-IXDOHACOSA-N 1 3 370.921 2.559 20 0 FFADHO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@](C)(O)c1ccccc1 ZINC001336819218 1054254772 /nfs/dbraw/zinc/25/47/72/1054254772.db2.gz FGINNFSJEMUBQQ-BWAGFHJFSA-N 1 3 354.494 2.509 20 0 FFADHO C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@](C)(O)c1ccccc1 ZINC001336819218 1054254787 /nfs/dbraw/zinc/25/47/87/1054254787.db2.gz FGINNFSJEMUBQQ-BWAGFHJFSA-N 1 3 354.494 2.509 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001337026648 1054419464 /nfs/dbraw/zinc/41/94/64/1054419464.db2.gz UBHJCVSPNMGYRB-NRFANRHFSA-N 1 3 356.558 2.889 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001337026648 1054419468 /nfs/dbraw/zinc/41/94/68/1054419468.db2.gz UBHJCVSPNMGYRB-NRFANRHFSA-N 1 3 356.558 2.889 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001543653720 1071515965 /nfs/dbraw/zinc/51/59/65/1071515965.db2.gz VEFGQCLTIUCJPL-PBASOCQRSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001543653720 1071515979 /nfs/dbraw/zinc/51/59/79/1071515979.db2.gz VEFGQCLTIUCJPL-PBASOCQRSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCC[C@@H](C)C1 ZINC000849059885 1055613254 /nfs/dbraw/zinc/61/32/54/1055613254.db2.gz VCJNBROSNBCBBZ-SJORKVTESA-N 1 3 361.509 2.592 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC2CCCCC2)nc1 ZINC000849072194 1055630036 /nfs/dbraw/zinc/63/00/36/1055630036.db2.gz SOJAIUOSXDEWFX-QGZVFWFLSA-N 1 3 359.518 2.891 20 0 FFADHO S=C(NCCN1CCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001200417220 1056642886 /nfs/dbraw/zinc/64/28/86/1056642886.db2.gz VCNQFCLQNKSJLQ-UHFFFAOYSA-N 1 3 360.571 2.732 20 0 FFADHO C[NH+](C)CCOc1cc(F)ccc1NC(=S)NCCN1CCCCC1 ZINC001200433894 1058167341 /nfs/dbraw/zinc/16/73/41/1058167341.db2.gz VSHLQPNVSBCBJS-UHFFFAOYSA-N 1 3 368.522 2.538 20 0 FFADHO S=C(NCCN1CCCCC1)N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001200440066 1058183450 /nfs/dbraw/zinc/18/34/50/1058183450.db2.gz HQPHGAWOCWLNGR-FQEVSTJZSA-N 1 3 374.598 2.644 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NC/C=C\c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001499230903 1058271054 /nfs/dbraw/zinc/27/10/54/1058271054.db2.gz MTWNRSXDWXDJIS-DRJMZUFCSA-N 1 3 361.917 2.932 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NC/C=C\c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001499230903 1058271068 /nfs/dbraw/zinc/27/10/68/1058271068.db2.gz MTWNRSXDWXDJIS-DRJMZUFCSA-N 1 3 361.917 2.932 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(Cc3ccccn3)CC2)CC[N@@H+]1C ZINC001500427054 1058487314 /nfs/dbraw/zinc/48/73/14/1058487314.db2.gz HITHWMCRIUFFBK-RBUKOAKNSA-N 1 3 358.530 2.530 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(Cc3ccccn3)CC2)CC[N@H+]1C ZINC001500427054 1058487320 /nfs/dbraw/zinc/48/73/20/1058487320.db2.gz HITHWMCRIUFFBK-RBUKOAKNSA-N 1 3 358.530 2.530 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)c1 ZINC001300596108 1058936418 /nfs/dbraw/zinc/93/64/18/1058936418.db2.gz IHNWDHVWJDOHTG-QUCCMNQESA-N 1 3 373.541 2.896 20 0 FFADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(F)c(Cl)c1 ZINC001507079098 1059596787 /nfs/dbraw/zinc/59/67/87/1059596787.db2.gz JXTKPNLOEGUVCJ-GZBFAFLISA-N 1 3 355.885 2.756 20 0 FFADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(F)c(Cl)c1 ZINC001507079098 1059596802 /nfs/dbraw/zinc/59/68/02/1059596802.db2.gz JXTKPNLOEGUVCJ-GZBFAFLISA-N 1 3 355.885 2.756 20 0 FFADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[N@@H+](C)C(C)C ZINC001508999405 1059975129 /nfs/dbraw/zinc/97/51/29/1059975129.db2.gz FDSALDGALQSTIV-UHFFFAOYSA-N 1 3 350.555 2.662 20 0 FFADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[N@H+](C)C(C)C ZINC001508999405 1059975142 /nfs/dbraw/zinc/97/51/42/1059975142.db2.gz FDSALDGALQSTIV-UHFFFAOYSA-N 1 3 350.555 2.662 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001355230897 1060013123 /nfs/dbraw/zinc/01/31/23/1060013123.db2.gz AQSUPJBHBSXVLW-MOPGFXCFSA-N 1 3 371.525 2.761 20 0 FFADHO CCN1C[C@H](NC(=O)C2(c3ccccc3)CC[NH+](CC)CC2)C(C)(C)C1 ZINC001456230348 1060056481 /nfs/dbraw/zinc/05/64/81/1060056481.db2.gz NJQGYQPLJARBMV-IBGZPJMESA-N 1 3 357.542 2.887 20 0 FFADHO CC(C)[N@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001509523733 1060095230 /nfs/dbraw/zinc/09/52/30/1060095230.db2.gz UJOLSAQKWJVDTL-UHFFFAOYSA-N 1 3 362.566 2.806 20 0 FFADHO CC(C)[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001509523733 1060095246 /nfs/dbraw/zinc/09/52/46/1060095246.db2.gz UJOLSAQKWJVDTL-UHFFFAOYSA-N 1 3 362.566 2.806 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC001520852264 1060142762 /nfs/dbraw/zinc/14/27/62/1060142762.db2.gz VTRXEQIQEHQPNW-FPOVZHCZSA-N 1 3 369.509 2.625 20 0 FFADHO CCN1CCN(c2ccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000848538381 1060243824 /nfs/dbraw/zinc/24/38/24/1060243824.db2.gz XPPRYHKCFDTKNN-QFIPXVFZSA-N 1 3 372.557 2.884 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001511885536 1060457119 /nfs/dbraw/zinc/45/71/19/1060457119.db2.gz KFDCSMXWHMOFOC-KRWDZBQOSA-N 1 3 362.566 2.772 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCCN1CC ZINC001457872816 1060459518 /nfs/dbraw/zinc/45/95/18/1060459518.db2.gz WOFDPOWTEAYFET-QHAWAJNXSA-N 1 3 373.541 2.514 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCCCN1CC ZINC001457872816 1060459526 /nfs/dbraw/zinc/45/95/26/1060459526.db2.gz WOFDPOWTEAYFET-QHAWAJNXSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)c2cccc3c2OCCNC3)C[N@@H+]1Cc1ccccc1 ZINC001521496529 1060619859 /nfs/dbraw/zinc/61/98/59/1060619859.db2.gz VXHINEFGPZPMJJ-APWZRJJASA-N 1 3 365.477 2.561 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)c2cccc3c2OCCNC3)C[N@H+]1Cc1ccccc1 ZINC001521496529 1060619865 /nfs/dbraw/zinc/61/98/65/1060619865.db2.gz VXHINEFGPZPMJJ-APWZRJJASA-N 1 3 365.477 2.561 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001527785521 1061623505 /nfs/dbraw/zinc/62/35/05/1061623505.db2.gz KNNQHKVUQCVRMX-RBUKOAKNSA-N 1 3 374.577 2.665 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001527785521 1061623514 /nfs/dbraw/zinc/62/35/14/1061623514.db2.gz KNNQHKVUQCVRMX-RBUKOAKNSA-N 1 3 374.577 2.665 20 0 FFADHO C[NH+](C)Cc1ccc(CN2C[C@H]3COC[C@@]3(C)C2)c2c1OC(F)(F)O2 ZINC001462439287 1061624076 /nfs/dbraw/zinc/62/40/76/1061624076.db2.gz ODPPGHYZKZJLIE-WMLDXEAASA-N 1 3 354.397 2.538 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001477865233 1061822716 /nfs/dbraw/zinc/82/27/16/1061822716.db2.gz JLIZXLSACSYOML-UXHICEINSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001477865233 1061822727 /nfs/dbraw/zinc/82/27/27/1061822727.db2.gz JLIZXLSACSYOML-UXHICEINSA-N 1 3 358.530 2.743 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC001478236599 1061951762 /nfs/dbraw/zinc/95/17/62/1061951762.db2.gz WLISGWQAIJZZOC-IZBJGVDFSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C)[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC001478236599 1061951777 /nfs/dbraw/zinc/95/17/77/1061951777.db2.gz WLISGWQAIJZZOC-IZBJGVDFSA-N 1 3 358.530 2.679 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCCC[N@@H+](C)C3CC3)C2)cc1 ZINC001478778903 1062111422 /nfs/dbraw/zinc/11/14/22/1062111422.db2.gz OWKQJFOMTRCHMD-LJQANCHMSA-N 1 3 358.530 2.743 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCCC[N@H+](C)C3CC3)C2)cc1 ZINC001478778903 1062111442 /nfs/dbraw/zinc/11/14/42/1062111442.db2.gz OWKQJFOMTRCHMD-LJQANCHMSA-N 1 3 358.530 2.743 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC001479055751 1062207694 /nfs/dbraw/zinc/20/76/94/1062207694.db2.gz FSKQLJSKDNLLAR-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2CCCCN2C)CC[N@H+](Cc2ccccc2)C1 ZINC001479490232 1062477051 /nfs/dbraw/zinc/47/70/51/1062477051.db2.gz DCHYSMKVIOHQBL-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2CCCCN2C)CC[N@@H+](Cc2ccccc2)C1 ZINC001479490232 1062477059 /nfs/dbraw/zinc/47/70/59/1062477059.db2.gz DCHYSMKVIOHQBL-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001479495126 1062486144 /nfs/dbraw/zinc/48/61/44/1062486144.db2.gz PDXKVASESMUIIJ-ZWKOTPCHSA-N 1 3 362.518 2.542 20 0 FFADHO CC(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001524913219 1063048668 /nfs/dbraw/zinc/04/86/68/1063048668.db2.gz XKDLKYCYBAGGTP-RTBURBONSA-N 1 3 374.577 2.808 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC001468143196 1063932549 /nfs/dbraw/zinc/93/25/49/1063932549.db2.gz NQFHRDIGSCRUQC-PZJWPPBQSA-N 1 3 372.557 2.991 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)N2CCCC2)cc1 ZINC001468387631 1063976562 /nfs/dbraw/zinc/97/65/62/1063976562.db2.gz GISPMBQDFLHYMS-URVUXULASA-N 1 3 370.541 2.725 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)N2CCCC2)cc1 ZINC001468387631 1063976565 /nfs/dbraw/zinc/97/65/65/1063976565.db2.gz GISPMBQDFLHYMS-URVUXULASA-N 1 3 370.541 2.725 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001471687790 1064759214 /nfs/dbraw/zinc/75/92/14/1064759214.db2.gz VZVQDJARXKOGCR-YZGWKJHDSA-N 1 3 359.489 2.733 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001471687790 1064759226 /nfs/dbraw/zinc/75/92/26/1064759226.db2.gz VZVQDJARXKOGCR-YZGWKJHDSA-N 1 3 359.489 2.733 20 0 FFADHO CC(C)(N)c1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)on1 ZINC001575366770 1078133735 /nfs/dbraw/zinc/13/37/35/1078133735.db2.gz YVGDNVVTDXTARM-NRFANRHFSA-N 1 3 354.498 2.966 20 0 FFADHO CC(C)(N)c1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)on1 ZINC001575366770 1078133736 /nfs/dbraw/zinc/13/37/36/1078133736.db2.gz YVGDNVVTDXTARM-NRFANRHFSA-N 1 3 354.498 2.966 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001575423840 1078139763 /nfs/dbraw/zinc/13/97/63/1078139763.db2.gz YYLYHMUAMJCBBK-TUNNFDKTSA-N 1 3 372.557 2.974 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 ZINC001576117143 1078196932 /nfs/dbraw/zinc/19/69/32/1078196932.db2.gz ICGKYQONHPKFNH-CVEARBPZSA-N 1 3 355.523 2.510 20 0 FFADHO CN1CCN(c2ccc(CC[NH2+]Cc3nc4ccccc4o3)cc2)CC1 ZINC001474306061 1065489537 /nfs/dbraw/zinc/48/95/37/1065489537.db2.gz ZHNXDPFWQXWDIS-UHFFFAOYSA-N 1 3 350.466 2.912 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001576312353 1078214827 /nfs/dbraw/zinc/21/48/27/1078214827.db2.gz XSWCYYLEGKVEMN-HKJQZYRSSA-N 1 3 356.514 2.653 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC23CCC3)CCN1Cc1ccccc1 ZINC001576718867 1078265604 /nfs/dbraw/zinc/26/56/04/1078265604.db2.gz UUJJEAPZTNIAER-QUCCMNQESA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]1CN(CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@@H](C)C[NH2+]1 ZINC001576802536 1078276242 /nfs/dbraw/zinc/27/62/42/1078276242.db2.gz YIDHLXBCIGRKAB-IRXDYDNUSA-N 1 3 350.938 2.534 20 0 FFADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001576895354 1078285506 /nfs/dbraw/zinc/28/55/06/1078285506.db2.gz BGRJOYXHDUJBJP-SJLPKXTDSA-N 1 3 359.514 2.518 20 0 FFADHO CC[C@H](CNC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)N1CCc2ccccc2C1 ZINC001577082682 1078301731 /nfs/dbraw/zinc/30/17/31/1078301731.db2.gz AVMBLNGMROGAGB-KCZVDYSFSA-N 1 3 370.541 2.655 20 0 FFADHO CCC[NH2+]CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001577561655 1078376565 /nfs/dbraw/zinc/37/65/65/1078376565.db2.gz HEDXZAMXEOXHGQ-HZPDHXFCSA-N 1 3 374.533 2.765 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2CCCCC2)C[C@@H]1C ZINC001577760663 1078397107 /nfs/dbraw/zinc/39/71/07/1078397107.db2.gz ZXTDJBQCXANDMB-OGWHTMIXSA-N 1 3 374.577 2.982 20 0 FFADHO CC[NH2+][C@H](C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577894498 1078411585 /nfs/dbraw/zinc/41/15/85/1078411585.db2.gz WYOZXQWAAWVIOX-JKSUJKDBSA-N 1 3 350.555 2.710 20 0 FFADHO CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001578408389 1078470186 /nfs/dbraw/zinc/47/01/86/1078470186.db2.gz KVQHFJYCWWYDKO-MSOLQXFVSA-N 1 3 370.545 2.707 20 0 FFADHO CN1CCN(c2ccc(NC3CCC(C[NH3+])CC3)c3cnccc32)CC1 ZINC001578537435 1078488991 /nfs/dbraw/zinc/48/89/91/1078488991.db2.gz WKNHUFKQFWOAMW-UHFFFAOYSA-N 1 3 353.514 2.916 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])C3CCCCCC3)cc2)CC1 ZINC001578536297 1078489465 /nfs/dbraw/zinc/48/94/65/1078489465.db2.gz KKMQVBVFSVWVCN-HXUWFJFHSA-N 1 3 358.530 2.670 20 0 FFADHO Cn1ncc(C[NH3+])c1CN[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001580002549 1078731123 /nfs/dbraw/zinc/73/11/23/1078731123.db2.gz YVZDKPCZRUZIGI-CYBMUJFWSA-N 1 3 354.285 2.554 20 0 FFADHO [NH3+][C@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)C1CCCCC1 ZINC001580109873 1078750311 /nfs/dbraw/zinc/75/03/11/1078750311.db2.gz PYHAPYXOWROJSE-FQEVSTJZSA-N 1 3 352.482 2.791 20 0 FFADHO [NH3+][C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1c1ccc(F)cc1 ZINC001549029311 1073600198 /nfs/dbraw/zinc/60/01/98/1073600198.db2.gz MXYZQSPKUYMLNX-SFTDATJTSA-N 1 3 367.468 2.988 20 0 FFADHO CCN1C(=O)C[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)[C@@H]1c1ccncc1 ZINC001549193902 1073684291 /nfs/dbraw/zinc/68/42/91/1073684291.db2.gz ZNIOLCGFEADFKD-XLIONFOSSA-N 1 3 358.530 2.844 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)c1 ZINC001549523004 1073897225 /nfs/dbraw/zinc/89/72/25/1073897225.db2.gz JFFBTFASCAQTQF-OALUTQOASA-N 1 3 356.445 2.846 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)cn1 ZINC001550422190 1074259211 /nfs/dbraw/zinc/25/92/11/1074259211.db2.gz OWFZQFOFFYQIGY-GBAJDQEWSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)cn1 ZINC001550422190 1074259213 /nfs/dbraw/zinc/25/92/13/1074259213.db2.gz OWFZQFOFFYQIGY-GBAJDQEWSA-N 1 3 368.525 2.750 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(OC)cc3F)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423794 1074262930 /nfs/dbraw/zinc/26/29/30/1074262930.db2.gz RVCDRTGRDMPHIR-WCIQWLHISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(OC)cc3F)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423794 1074262934 /nfs/dbraw/zinc/26/29/34/1074262934.db2.gz RVCDRTGRDMPHIR-WCIQWLHISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3nc4ccccc4nc3C)C2)[C@@H]1C(C)C ZINC001550664505 1074425087 /nfs/dbraw/zinc/42/50/87/1074425087.db2.gz KPERPVNYDPJGMJ-QESAQDPVSA-N 1 3 368.525 2.898 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3nc4ccccc4nc3C)C2)[C@@H]1C(C)C ZINC001550664505 1074425091 /nfs/dbraw/zinc/42/50/91/1074425091.db2.gz KPERPVNYDPJGMJ-QESAQDPVSA-N 1 3 368.525 2.898 20 0 FFADHO O=C1CC[C@H](NCc2ccc(Cl)cc2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550911790 1074528823 /nfs/dbraw/zinc/52/88/23/1074528823.db2.gz GDAOTAVVFAXWIW-DOTOQJQBSA-N 1 3 356.297 2.730 20 0 FFADHO O=S1(=O)CC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c2ccccc21 ZINC001553025667 1075201130 /nfs/dbraw/zinc/20/11/30/1075201130.db2.gz MAJYRYFSEDCZKU-QRQLOZEOSA-N 1 3 362.539 2.706 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001553295563 1075274936 /nfs/dbraw/zinc/27/49/36/1075274936.db2.gz KOCOCHNYXANKDS-BZSNNMDCSA-N 1 3 374.529 2.951 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC001556927463 1075789706 /nfs/dbraw/zinc/78/97/06/1075789706.db2.gz DMAGKYXTMDDHFR-IEBWSBKVSA-N 1 3 361.505 2.980 20 0 FFADHO CC[N@H+]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC001556927463 1075789711 /nfs/dbraw/zinc/78/97/11/1075789711.db2.gz DMAGKYXTMDDHFR-IEBWSBKVSA-N 1 3 361.505 2.980 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC/C=C\c1cccc(F)c1 ZINC001560400001 1076270855 /nfs/dbraw/zinc/27/08/55/1076270855.db2.gz NKBOZRKQOIZMDZ-OQFUBPRESA-N 1 3 369.484 2.718 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(-n3cccn3)cc2)C1 ZINC001560436670 1076272987 /nfs/dbraw/zinc/27/29/87/1076272987.db2.gz MOTOXVYWKIMRDZ-JOCHJYFZSA-N 1 3 362.477 2.729 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(-n3cccn3)cc2)C1 ZINC001560436670 1076272989 /nfs/dbraw/zinc/27/29/89/1076272989.db2.gz MOTOXVYWKIMRDZ-JOCHJYFZSA-N 1 3 362.477 2.729 20 0 FFADHO CCN(CCC[NH+](C)C)CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001560811779 1076301686 /nfs/dbraw/zinc/30/16/86/1076301686.db2.gz XGANYVYZCNVEPZ-UHFFFAOYSA-N 1 3 357.539 2.724 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CN1Cc1ccccc1 ZINC001564316913 1076624875 /nfs/dbraw/zinc/62/48/75/1076624875.db2.gz MTHVURRIWRBINH-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CN1Cc1ccccc1 ZINC001564316913 1076624880 /nfs/dbraw/zinc/62/48/80/1076624880.db2.gz MTHVURRIWRBINH-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001569058704 1077126728 /nfs/dbraw/zinc/12/67/28/1077126728.db2.gz QMPSKYNGXNCMSE-ZYSHUDEJSA-N 1 3 359.514 2.552 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccccc2OC2CC2)CC[N@H+]1C ZINC001569058704 1077126729 /nfs/dbraw/zinc/12/67/29/1077126729.db2.gz QMPSKYNGXNCMSE-ZYSHUDEJSA-N 1 3 359.514 2.552 20 0 FFADHO CC1(C)CC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC(C)(C)[NH2+]1 ZINC000093119481 250014801 /nfs/dbraw/zinc/01/48/01/250014801.db2.gz MUFFRTLEQHHASD-UHFFFAOYSA-N 1 3 373.545 2.906 20 0 FFADHO Cc1cc2ncc([C@@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)c(C)n2n1 ZINC000093402764 250033490 /nfs/dbraw/zinc/03/34/90/250033490.db2.gz JZBQMKCMFRUMPE-IXDOHACOSA-N 1 3 359.518 2.886 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000093817802 250047432 /nfs/dbraw/zinc/04/74/32/250047432.db2.gz YGOHAJJWHSLHGS-OAQYLSRUSA-N 1 3 359.558 2.799 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN(C[C@H]2CCOC2)CC1 ZINC000093817802 250047434 /nfs/dbraw/zinc/04/74/34/250047434.db2.gz YGOHAJJWHSLHGS-OAQYLSRUSA-N 1 3 359.558 2.799 20 0 FFADHO COCCN1CCC[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163111559 251172022 /nfs/dbraw/zinc/17/20/22/251172022.db2.gz HMNMJLHOXPVPIZ-HXUWFJFHSA-N 1 3 373.541 2.516 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000272454235 252043221 /nfs/dbraw/zinc/04/32/21/252043221.db2.gz NCVHSOUCWVMXFQ-NHCUHLMSSA-N 1 3 370.541 2.634 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000272656104 252094529 /nfs/dbraw/zinc/09/45/29/252094529.db2.gz GSSJSXDIYJIMDX-FNAHDJPLSA-N 1 3 358.526 2.664 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272698208 252106773 /nfs/dbraw/zinc/10/67/73/252106773.db2.gz YCYODZZECAZHHI-FXAWDEMLSA-N 1 3 359.514 2.573 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272815795 252138229 /nfs/dbraw/zinc/13/82/29/252138229.db2.gz OAKLGRNLADMHRS-WJFJTQNHSA-N 1 3 371.569 2.864 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1Cl ZINC000273155154 252233932 /nfs/dbraw/zinc/23/39/32/252233932.db2.gz AMHNFOVNHLVNSW-UHFFFAOYSA-N 1 3 353.894 2.951 20 0 FFADHO C[NH+]1CCC(CC(=O)N2CCCN(CCCc3ccccc3)CC2)CC1 ZINC000273201756 252249218 /nfs/dbraw/zinc/24/92/18/252249218.db2.gz JZQVRUSLVBIWHU-UHFFFAOYSA-N 1 3 357.542 2.885 20 0 FFADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000273301097 252276491 /nfs/dbraw/zinc/27/64/91/252276491.db2.gz RKASUYNIBIDLET-NBHGPNQESA-N 1 3 374.525 2.872 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000273463481 252311466 /nfs/dbraw/zinc/31/14/66/252311466.db2.gz NKLUQKTXKXGGKE-SFHVURJKSA-N 1 3 372.557 2.807 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275556111 256023758 /nfs/dbraw/zinc/02/37/58/256023758.db2.gz AAGCQLBTKNLOCF-IBGZPJMESA-N 1 3 373.545 2.562 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(OCCN(C)C)c3)CC2)n[nH]1 ZINC000275886509 256056848 /nfs/dbraw/zinc/05/68/48/256056848.db2.gz LFWJTDXANANUJI-KRWDZBQOSA-N 1 3 371.529 2.978 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(OCCN(C)C)c1 ZINC000277008107 256151816 /nfs/dbraw/zinc/15/18/16/256151816.db2.gz AMRNJJZEAGYAJQ-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO COCCSCCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000278582344 256327628 /nfs/dbraw/zinc/32/76/28/256327628.db2.gz YHSRUUGMKGNOEJ-UHFFFAOYSA-N 1 3 365.587 2.506 20 0 FFADHO C[N@H+]1CC=C(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000285887414 257009634 /nfs/dbraw/zinc/00/96/34/257009634.db2.gz SYRYQILUMRIHCX-SFHVURJKSA-N 1 3 363.452 2.522 20 0 FFADHO C[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000285887414 257009635 /nfs/dbraw/zinc/00/96/35/257009635.db2.gz SYRYQILUMRIHCX-SFHVURJKSA-N 1 3 363.452 2.522 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287169346 257075253 /nfs/dbraw/zinc/07/52/53/257075253.db2.gz SPCMJDRYKJWQLF-SFHVURJKSA-N 1 3 364.534 2.721 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287169346 257075254 /nfs/dbraw/zinc/07/52/54/257075254.db2.gz SPCMJDRYKJWQLF-SFHVURJKSA-N 1 3 364.534 2.721 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000287872027 257123927 /nfs/dbraw/zinc/12/39/27/257123927.db2.gz AVDGIZNHPNILAJ-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000287872027 257123929 /nfs/dbraw/zinc/12/39/29/257123929.db2.gz AVDGIZNHPNILAJ-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000287959142 257133435 /nfs/dbraw/zinc/13/34/35/257133435.db2.gz HXTWUOSXJXPRHJ-ZIPQSNSFSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000287959142 257133436 /nfs/dbraw/zinc/13/34/36/257133436.db2.gz HXTWUOSXJXPRHJ-ZIPQSNSFSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288322184 257175554 /nfs/dbraw/zinc/17/55/54/257175554.db2.gz FNNFPOWHJRUIIN-UZLBHIALSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H]1C[C@@H](CO)CCN1Cc1cccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1 ZINC000288582158 257208149 /nfs/dbraw/zinc/20/81/49/257208149.db2.gz CHECVNYZTKIOFX-GPHNJDIKSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H]1C[C@@H](CO)CCN1Cc1cccc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1 ZINC000288582158 257208150 /nfs/dbraw/zinc/20/81/50/257208150.db2.gz CHECVNYZTKIOFX-GPHNJDIKSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289302147 257272841 /nfs/dbraw/zinc/27/28/41/257272841.db2.gz RAMDWPHYOPDQQQ-UKBAYJJMSA-N 1 3 358.482 2.775 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289302147 257272842 /nfs/dbraw/zinc/27/28/42/257272842.db2.gz RAMDWPHYOPDQQQ-UKBAYJJMSA-N 1 3 358.482 2.775 20 0 FFADHO COCc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000289725236 257295543 /nfs/dbraw/zinc/29/55/43/257295543.db2.gz HMSLCVJUQNHGSZ-UHFFFAOYSA-N 1 3 373.541 2.647 20 0 FFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000290038903 257312377 /nfs/dbraw/zinc/31/23/77/257312377.db2.gz UNVFOLQDKORCBX-WIYYLYMNSA-N 1 3 373.541 2.562 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CC[NH2+][C@H]3C(C)C)CC2)cc1 ZINC000289602107 257289545 /nfs/dbraw/zinc/28/95/45/257289545.db2.gz BQBVGKCTAUUPQT-RTWAWAEBSA-N 1 3 373.541 2.658 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000291192344 257390649 /nfs/dbraw/zinc/39/06/49/257390649.db2.gz PGURAYMASAJRHF-PKTZIBPZSA-N 1 3 371.569 2.661 20 0 FFADHO Cc1[nH+]c2ccccc2c(N2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000302086686 258087258 /nfs/dbraw/zinc/08/72/58/258087258.db2.gz NRJQSWWEICBWPU-UHFFFAOYSA-N 1 3 352.482 2.596 20 0 FFADHO C[NH+](C)CC1(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CCCCC1 ZINC000331703334 258196852 /nfs/dbraw/zinc/19/68/52/258196852.db2.gz YIUXTRKYWPIDLS-IBGZPJMESA-N 1 3 359.514 2.704 20 0 FFADHO C[C@@H](c1ccccc1Br)N(C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753891 514275102 /nfs/dbraw/zinc/27/51/02/514275102.db2.gz FHPKTADCOSKAKD-UONOGXRCSA-N 1 3 368.319 2.639 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCCC3)cc2)CC1 ZINC000065750156 506357946 /nfs/dbraw/zinc/35/79/46/506357946.db2.gz XKSOICHRIFDANL-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO COc1cccc(C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C2CC2)c1 ZINC000370982817 512163926 /nfs/dbraw/zinc/16/39/26/512163926.db2.gz RQKVXQYWXBCARR-SIKLNZKXSA-N 1 3 357.542 2.774 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)CC1 ZINC000410334280 512241445 /nfs/dbraw/zinc/24/14/45/512241445.db2.gz CYMJFQYXQCWSFB-UHFFFAOYSA-N 1 3 358.530 2.766 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000066177934 506437622 /nfs/dbraw/zinc/43/76/22/506437622.db2.gz MGHTWIYDLBFCHG-SFHVURJKSA-N 1 3 360.546 2.989 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000066177934 506437629 /nfs/dbraw/zinc/43/76/29/506437629.db2.gz MGHTWIYDLBFCHG-SFHVURJKSA-N 1 3 360.546 2.989 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000054510937 506570667 /nfs/dbraw/zinc/57/06/67/506570667.db2.gz FFBRNDCOSKMKNT-GOSISDBHSA-N 1 3 364.509 2.631 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000054510937 506570676 /nfs/dbraw/zinc/57/06/76/506570676.db2.gz FFBRNDCOSKMKNT-GOSISDBHSA-N 1 3 364.509 2.631 20 0 FFADHO O=C(CN1CCC[C@@H](c2ccccc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000066897728 506685716 /nfs/dbraw/zinc/68/57/16/506685716.db2.gz YTNUQSZKPZIKQC-LJQANCHMSA-N 1 3 355.526 2.999 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000377520932 512308755 /nfs/dbraw/zinc/30/87/55/512308755.db2.gz XHYTYTOGGSKIIZ-LJQANCHMSA-N 1 3 359.514 2.718 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000057042997 507158081 /nfs/dbraw/zinc/15/80/81/507158081.db2.gz CNZXDJQCVAAZME-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000377553507 512324404 /nfs/dbraw/zinc/32/44/04/512324404.db2.gz IBOKAHSDSGKZRW-SXLOBPIMSA-N 1 3 359.514 2.849 20 0 FFADHO CC(C)N1CCCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000069770846 507556018 /nfs/dbraw/zinc/55/60/18/507556018.db2.gz ITGDIAPXBBWVBI-OALUTQOASA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)CC1 ZINC000375479555 512352743 /nfs/dbraw/zinc/35/27/43/512352743.db2.gz CCWDITBPAMCGLM-NJDAHSKKSA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)CC1 ZINC000375479555 512352747 /nfs/dbraw/zinc/35/27/47/512352747.db2.gz CCWDITBPAMCGLM-NJDAHSKKSA-N 1 3 351.579 2.808 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000050110269 507663071 /nfs/dbraw/zinc/66/30/71/507663071.db2.gz QRDKJBOBJPIBGK-QGZVFWFLSA-N 1 3 364.559 2.745 20 0 FFADHO C[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797475 507713102 /nfs/dbraw/zinc/71/31/02/507713102.db2.gz COIJGJJUSNTDDJ-MRXNPFEDSA-N 1 3 361.505 2.679 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000050801197 507713318 /nfs/dbraw/zinc/71/33/18/507713318.db2.gz OUYNXUJZHULXRP-UHFFFAOYSA-N 1 3 355.526 2.854 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(F)c4)CCC3)CC2)CC1 ZINC000050799280 507714546 /nfs/dbraw/zinc/71/45/46/507714546.db2.gz ZVMJQQSNXBGLRY-UHFFFAOYSA-N 1 3 373.516 2.922 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)CC2)CC1 ZINC000051761299 507783368 /nfs/dbraw/zinc/78/33/68/507783368.db2.gz BZYWSDSEVXNUGN-JOIKAWEESA-N 1 3 374.573 2.765 20 0 FFADHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759561 507783713 /nfs/dbraw/zinc/78/37/13/507783713.db2.gz UUNYCBBXWABRRQ-KRWDZBQOSA-N 1 3 358.530 2.648 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064755019 507808323 /nfs/dbraw/zinc/80/83/23/507808323.db2.gz FIJKHMCXTASJDK-QGZVFWFLSA-N 1 3 366.575 2.991 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCN(CC2CC2)C1 ZINC000108550879 507903241 /nfs/dbraw/zinc/90/32/41/507903241.db2.gz HGVXGKLFNZMKBR-FQEVSTJZSA-N 1 3 356.514 2.566 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000078954173 507919075 /nfs/dbraw/zinc/91/90/75/507919075.db2.gz ZIZYAMXTWIAJDV-GOSISDBHSA-N 1 3 358.530 2.814 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000073474611 507923452 /nfs/dbraw/zinc/92/34/52/507923452.db2.gz YEYOPXRGGSKZOZ-IBGZPJMESA-N 1 3 356.514 2.693 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079007784 507924015 /nfs/dbraw/zinc/92/40/15/507924015.db2.gz AATYVHJXPNJPSR-FXAWDEMLSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079007784 507924018 /nfs/dbraw/zinc/92/40/18/507924018.db2.gz AATYVHJXPNJPSR-FXAWDEMLSA-N 1 3 356.514 2.607 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](CC(C)C)CC3)cc2)CC1 ZINC000074253808 508001908 /nfs/dbraw/zinc/00/19/08/508001908.db2.gz HFPQJRVWTFRVPG-UHFFFAOYSA-N 1 3 372.557 2.679 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000079974586 508022203 /nfs/dbraw/zinc/02/22/03/508022203.db2.gz VAJLHACFLGWKMM-GOSISDBHSA-N 1 3 372.557 2.991 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080142008 508043517 /nfs/dbraw/zinc/04/35/17/508043517.db2.gz MORUJOWTEHMDHU-BHIYHBOVSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000080142008 508043518 /nfs/dbraw/zinc/04/35/18/508043518.db2.gz MORUJOWTEHMDHU-BHIYHBOVSA-N 1 3 356.514 2.575 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1OC ZINC000092103552 508043898 /nfs/dbraw/zinc/04/38/98/508043898.db2.gz BXPOGWQLYPWROW-MRXNPFEDSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1OC ZINC000092103552 508043901 /nfs/dbraw/zinc/04/39/01/508043901.db2.gz BXPOGWQLYPWROW-MRXNPFEDSA-N 1 3 366.481 2.714 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000074710042 508049580 /nfs/dbraw/zinc/04/95/80/508049580.db2.gz TWHTZTVGKSEYFK-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074857409 508063133 /nfs/dbraw/zinc/06/31/33/508063133.db2.gz FDNRIZBZKORYKE-RTWAWAEBSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074857409 508063134 /nfs/dbraw/zinc/06/31/34/508063134.db2.gz FDNRIZBZKORYKE-RTWAWAEBSA-N 1 3 372.557 2.533 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000075007698 508076753 /nfs/dbraw/zinc/07/67/53/508076753.db2.gz GIAHXCNXBPBVOQ-UHFFFAOYSA-N 1 3 357.498 2.851 20 0 FFADHO C[C@H]1C[NH+](CC2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000092587464 508084265 /nfs/dbraw/zinc/08/42/65/508084265.db2.gz FOVYPRIGWCJVFX-IRXDYDNUSA-N 1 3 369.513 2.793 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000080665940 508093157 /nfs/dbraw/zinc/09/31/57/508093157.db2.gz IDUFRTDXBRYXMV-FQEVSTJZSA-N 1 3 358.530 2.622 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000080665940 508093159 /nfs/dbraw/zinc/09/31/59/508093159.db2.gz IDUFRTDXBRYXMV-FQEVSTJZSA-N 1 3 358.530 2.622 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000092810931 508102006 /nfs/dbraw/zinc/10/20/06/508102006.db2.gz YRSLGYXAGUGPNG-UHFFFAOYSA-N 1 3 353.514 2.931 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000111789675 508122185 /nfs/dbraw/zinc/12/21/85/508122185.db2.gz DNCXQVALCBNVKM-FQEVSTJZSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000111857107 508130943 /nfs/dbraw/zinc/13/09/43/508130943.db2.gz ZTJLEBYEBQLWBQ-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000111857107 508130945 /nfs/dbraw/zinc/13/09/45/508130945.db2.gz ZTJLEBYEBQLWBQ-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C(C)C)CC2)N(C)C)cc1 ZINC000076052027 508153912 /nfs/dbraw/zinc/15/39/12/508153912.db2.gz ICBFTZMAOHNQNS-FQEVSTJZSA-N 1 3 360.546 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)C)CC2)N(C)C)cc1 ZINC000076052027 508153913 /nfs/dbraw/zinc/15/39/13/508153913.db2.gz ICBFTZMAOHNQNS-FQEVSTJZSA-N 1 3 360.546 2.977 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000093769431 508154696 /nfs/dbraw/zinc/15/46/96/508154696.db2.gz HDQACXSOJQDOMZ-UHFFFAOYSA-N 1 3 350.503 2.971 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000093769431 508154697 /nfs/dbraw/zinc/15/46/97/508154697.db2.gz HDQACXSOJQDOMZ-UHFFFAOYSA-N 1 3 350.503 2.971 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1c(F)cccc1Cl ZINC000081511005 508183890 /nfs/dbraw/zinc/18/38/90/508183890.db2.gz LKSDKMBPIJPCEX-CYBMUJFWSA-N 1 3 358.889 2.675 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000112448127 508186795 /nfs/dbraw/zinc/18/67/95/508186795.db2.gz IMPPFEXBCJDTOJ-UHFFFAOYSA-N 1 3 366.575 2.991 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000112448127 508186798 /nfs/dbraw/zinc/18/67/98/508186798.db2.gz IMPPFEXBCJDTOJ-UHFFFAOYSA-N 1 3 366.575 2.991 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000112744126 508219300 /nfs/dbraw/zinc/21/93/00/508219300.db2.gz BMUAGWIILIKRCM-UHFFFAOYSA-N 1 3 358.530 2.561 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000084414139 508278572 /nfs/dbraw/zinc/27/85/72/508278572.db2.gz JRNRRABOZHULKS-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000084455771 508279577 /nfs/dbraw/zinc/27/95/77/508279577.db2.gz DACVVCNJMIVWGO-HZPDHXFCSA-N 1 3 352.548 2.694 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000084441965 508279827 /nfs/dbraw/zinc/27/98/27/508279827.db2.gz YVIKBLGHKRKJTR-ALOPSCKCSA-N 1 3 364.559 2.837 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000084441965 508279829 /nfs/dbraw/zinc/27/98/29/508279829.db2.gz YVIKBLGHKRKJTR-ALOPSCKCSA-N 1 3 364.559 2.837 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1N(C)C ZINC000077201418 508286233 /nfs/dbraw/zinc/28/62/33/508286233.db2.gz YIIQRBRQZLGFFA-QGZVFWFLSA-N 1 3 361.534 2.632 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1N(C)C ZINC000077201418 508286235 /nfs/dbraw/zinc/28/62/35/508286235.db2.gz YIIQRBRQZLGFFA-QGZVFWFLSA-N 1 3 361.534 2.632 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000077202813 508286960 /nfs/dbraw/zinc/28/69/60/508286960.db2.gz LQPJDUHXXXGMQN-SFHVURJKSA-N 1 3 360.502 2.501 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000077202813 508286962 /nfs/dbraw/zinc/28/69/62/508286962.db2.gz LQPJDUHXXXGMQN-SFHVURJKSA-N 1 3 360.502 2.501 20 0 FFADHO CC[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000103509175 508316213 /nfs/dbraw/zinc/31/62/13/508316213.db2.gz AHPKMUJKSHJMEH-NRFANRHFSA-N 1 3 372.557 2.807 20 0 FFADHO Cc1ccc(-c2ccc(C[NH2+]CCCCN3CCN(CCO)CC3)o2)cc1 ZINC000114506389 508323266 /nfs/dbraw/zinc/32/32/66/508323266.db2.gz KVZDEORSZUMKEP-UHFFFAOYSA-N 1 3 371.525 2.735 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000105082636 508359843 /nfs/dbraw/zinc/35/98/43/508359843.db2.gz IHXQIVXYXAQAOJ-RTWAWAEBSA-N 1 3 372.557 2.819 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000105126178 508362602 /nfs/dbraw/zinc/36/26/02/508362602.db2.gz JQTCJOIEVARNDD-VQTJNVASSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@H](CNC(=O)N1CCCN(CCCc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000105264262 508367736 /nfs/dbraw/zinc/36/77/36/508367736.db2.gz ZWHDPYQXNNESKM-LJQANCHMSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H](CNC(=O)N1CCCN(CCCc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000105264262 508367737 /nfs/dbraw/zinc/36/77/37/508367737.db2.gz ZWHDPYQXNNESKM-LJQANCHMSA-N 1 3 372.557 2.819 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088576858 508376890 /nfs/dbraw/zinc/37/68/90/508376890.db2.gz BNBLFTWZINHAKV-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088576858 508376892 /nfs/dbraw/zinc/37/68/92/508376892.db2.gz BNBLFTWZINHAKV-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO CCN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000133573089 508418802 /nfs/dbraw/zinc/41/88/02/508418802.db2.gz DOCXFKSAPAZYHC-QXAKKESOSA-N 1 3 361.555 2.766 20 0 FFADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000122549465 508553033 /nfs/dbraw/zinc/55/30/33/508553033.db2.gz XFKGIRDYEZRBMH-OAHLLOKOSA-N 1 3 363.502 2.885 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC1CCN(C)CC1 ZINC000134635016 508553934 /nfs/dbraw/zinc/55/39/34/508553934.db2.gz PXHUDJBMLNPOFT-IAGOWNOFSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OC(F)F)cc1 ZINC000128163256 508556342 /nfs/dbraw/zinc/55/63/42/508556342.db2.gz FWYKPXLVVDKRLB-HIFRSBDPSA-N 1 3 355.429 2.526 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000128208123 508563468 /nfs/dbraw/zinc/56/34/68/508563468.db2.gz QUDTWGNMOLDTBZ-ZFWWWQNUSA-N 1 3 373.419 2.823 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000157504522 508575697 /nfs/dbraw/zinc/57/56/97/508575697.db2.gz IMPCGKUEBYDWOE-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC2CCCCC2)C1 ZINC000157504522 508575700 /nfs/dbraw/zinc/57/57/00/508575700.db2.gz IMPCGKUEBYDWOE-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO COC(=O)N1CCC([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000123125952 508640141 /nfs/dbraw/zinc/64/01/41/508640141.db2.gz ZLQHAUVOLXFGEX-UHFFFAOYSA-N 1 3 374.529 2.537 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158879853 508763469 /nfs/dbraw/zinc/76/34/69/508763469.db2.gz OEPRZJKAZKPBPW-JXFKEZNVSA-N 1 3 374.529 2.714 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)N(C)C)cc1 ZINC000137849163 508765615 /nfs/dbraw/zinc/76/56/15/508765615.db2.gz WKPWUKDGWJOBLL-AQNXPRMDSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)N(C)C)cc1 ZINC000137849163 508765619 /nfs/dbraw/zinc/76/56/19/508765619.db2.gz WKPWUKDGWJOBLL-AQNXPRMDSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N2CCCC2)cc1 ZINC000129785168 508766226 /nfs/dbraw/zinc/76/62/26/508766226.db2.gz GDJPMBPVXOWANR-ICSRJNTNSA-N 1 3 358.530 2.725 20 0 FFADHO C[C@H](Cn1cccn1)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000138327882 508771833 /nfs/dbraw/zinc/77/18/33/508771833.db2.gz UPPKYLBOLQDQCV-GOSISDBHSA-N 1 3 372.513 2.551 20 0 FFADHO C[C@H](Cn1cccn1)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000138327882 508771837 /nfs/dbraw/zinc/77/18/37/508771837.db2.gz UPPKYLBOLQDQCV-GOSISDBHSA-N 1 3 372.513 2.551 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000154524735 508801643 /nfs/dbraw/zinc/80/16/43/508801643.db2.gz SHVIALORBCTCRT-FQEVSTJZSA-N 1 3 369.557 3.000 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000154526497 508802800 /nfs/dbraw/zinc/80/28/00/508802800.db2.gz OADYSLJUUDMXAH-NRFANRHFSA-N 1 3 373.541 2.786 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000154526497 508802803 /nfs/dbraw/zinc/80/28/03/508802803.db2.gz OADYSLJUUDMXAH-NRFANRHFSA-N 1 3 373.541 2.786 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)N(C)C)cc1 ZINC000119694299 508845659 /nfs/dbraw/zinc/84/56/59/508845659.db2.gz ZKQXRWLKPFKMCJ-ICSRJNTNSA-N 1 3 360.546 2.875 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)N(C)C)cc1 ZINC000119694299 508845663 /nfs/dbraw/zinc/84/56/63/508845663.db2.gz ZKQXRWLKPFKMCJ-ICSRJNTNSA-N 1 3 360.546 2.875 20 0 FFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)c1 ZINC000124540175 508849095 /nfs/dbraw/zinc/84/90/95/508849095.db2.gz QCZTVTIFNCHEAU-TUNNFDKTSA-N 1 3 358.574 2.825 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)o1 ZINC000150759100 508887127 /nfs/dbraw/zinc/88/71/27/508887127.db2.gz WICYKNWRXYPBED-GOSISDBHSA-N 1 3 364.534 2.639 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)o1 ZINC000150759100 508887131 /nfs/dbraw/zinc/88/71/31/508887131.db2.gz WICYKNWRXYPBED-GOSISDBHSA-N 1 3 364.534 2.639 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000132806155 509077281 /nfs/dbraw/zinc/07/72/81/509077281.db2.gz RNTLQVMBWMXZTI-VVIORFSUSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000132806155 509077282 /nfs/dbraw/zinc/07/72/82/509077282.db2.gz RNTLQVMBWMXZTI-VVIORFSUSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000132806155 509077285 /nfs/dbraw/zinc/07/72/85/509077285.db2.gz RNTLQVMBWMXZTI-VVIORFSUSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000132806155 509077287 /nfs/dbraw/zinc/07/72/87/509077287.db2.gz RNTLQVMBWMXZTI-VVIORFSUSA-N 1 3 360.542 2.872 20 0 FFADHO CN(c1ccccc1CNCCOCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000132818750 509078722 /nfs/dbraw/zinc/07/87/22/509078722.db2.gz NUOWUHUXKDWTTO-UHFFFAOYSA-N 1 3 359.436 2.886 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@H](C)C1 ZINC000132852985 509083033 /nfs/dbraw/zinc/08/30/33/509083033.db2.gz JRVCVHJPWYFRQR-MJGOQNOKSA-N 1 3 365.587 2.833 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@H](C)C1 ZINC000132852985 509083036 /nfs/dbraw/zinc/08/30/36/509083036.db2.gz JRVCVHJPWYFRQR-MJGOQNOKSA-N 1 3 365.587 2.833 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000132932342 509093514 /nfs/dbraw/zinc/09/35/14/509093514.db2.gz VKGJELUDNGRNMF-DLBZAZTESA-N 1 3 360.498 2.999 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000133023894 509105289 /nfs/dbraw/zinc/10/52/89/509105289.db2.gz QGNWELJLOPISKA-YPCHGGDPSA-N 1 3 350.528 2.576 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121063675 509120679 /nfs/dbraw/zinc/12/06/79/509120679.db2.gz LOMCTPJMYUQIIF-MOPGFXCFSA-N 1 3 365.562 2.645 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000121361568 509169421 /nfs/dbraw/zinc/16/94/21/509169421.db2.gz QZXULFMPSRCFSP-VSKRKVRLSA-N 1 3 369.553 2.871 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185518405 509217719 /nfs/dbraw/zinc/21/77/19/509217719.db2.gz RPZPBJLBUBETEO-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000185518405 509217730 /nfs/dbraw/zinc/21/77/30/509217730.db2.gz RPZPBJLBUBETEO-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248394605 509290594 /nfs/dbraw/zinc/29/05/94/509290594.db2.gz FQHBQUAVXNAENG-XEYPJELSSA-N 1 3 362.562 2.908 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248394605 509290601 /nfs/dbraw/zinc/29/06/01/509290601.db2.gz FQHBQUAVXNAENG-XEYPJELSSA-N 1 3 362.562 2.908 20 0 FFADHO CC1(C)CN(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000248412857 509305490 /nfs/dbraw/zinc/30/54/90/509305490.db2.gz KEKKCHBGNDBNEM-PWRODBHTSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000248412857 509305495 /nfs/dbraw/zinc/30/54/95/509305495.db2.gz KEKKCHBGNDBNEM-PWRODBHTSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000248412857 509305501 /nfs/dbraw/zinc/30/55/01/509305501.db2.gz KEKKCHBGNDBNEM-PWRODBHTSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755886 509339223 /nfs/dbraw/zinc/33/92/23/509339223.db2.gz VRACUBCARYHZJX-BXWFABGCSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755886 509339229 /nfs/dbraw/zinc/33/92/29/509339229.db2.gz VRACUBCARYHZJX-BXWFABGCSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185755886 509339237 /nfs/dbraw/zinc/33/92/37/509339237.db2.gz VRACUBCARYHZJX-BXWFABGCSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000248732180 509458780 /nfs/dbraw/zinc/45/87/80/509458780.db2.gz DHCHUBAOPWSWAU-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000248732180 509458790 /nfs/dbraw/zinc/45/87/90/509458790.db2.gz DHCHUBAOPWSWAU-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000179468859 509459618 /nfs/dbraw/zinc/45/96/18/509459618.db2.gz JSUOXEODNQHNKQ-AABGKKOBSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248752244 509470510 /nfs/dbraw/zinc/47/05/10/509470510.db2.gz GSPRQRXGXVELRQ-HDAAZOAOSA-N 1 3 373.541 2.655 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000248752244 509470520 /nfs/dbraw/zinc/47/05/20/509470520.db2.gz GSPRQRXGXVELRQ-HDAAZOAOSA-N 1 3 373.541 2.655 20 0 FFADHO CC1CCN([C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)c2ccccc2)CC1 ZINC000236660224 509472597 /nfs/dbraw/zinc/47/25/97/509472597.db2.gz SYQVCNBFFNRGSJ-RBUKOAKNSA-N 1 3 361.555 2.671 20 0 FFADHO COc1cc2c(c(CN(C)CC3CC[NH+](C[C@@H](C)O)CC3)c1)O[C@H](C)C2 ZINC000179514994 509489968 /nfs/dbraw/zinc/48/99/68/509489968.db2.gz ZNVNTTFBLARMGS-HZPDHXFCSA-N 1 3 362.514 2.543 20 0 FFADHO CCc1cccc(CC)c1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182962361 509518690 /nfs/dbraw/zinc/51/86/90/509518690.db2.gz SHFWBCWMPLLNLQ-GOSISDBHSA-N 1 3 374.573 2.708 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000182964558 509519238 /nfs/dbraw/zinc/51/92/38/509519238.db2.gz BSPFLHLJPVQDMO-UHFFFAOYSA-N 1 3 364.559 2.693 20 0 FFADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C2 ZINC000192446237 509520440 /nfs/dbraw/zinc/52/04/40/509520440.db2.gz YESGDLJQATYBJC-GOSISDBHSA-N 1 3 355.482 2.678 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000176466478 509527652 /nfs/dbraw/zinc/52/76/52/509527652.db2.gz GDQUFZVEUVYNEN-UXHICEINSA-N 1 3 358.530 2.907 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000176466478 509527656 /nfs/dbraw/zinc/52/76/56/509527656.db2.gz GDQUFZVEUVYNEN-UXHICEINSA-N 1 3 358.530 2.907 20 0 FFADHO Cn1c2ccc(CNCc3cccc(OCC[NH+](C)C)c3)cc2sc1=O ZINC000192482014 509537729 /nfs/dbraw/zinc/53/77/29/509537729.db2.gz QUABZRMQKQLHCZ-UHFFFAOYSA-N 1 3 371.506 2.830 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236962096 509541345 /nfs/dbraw/zinc/54/13/45/509541345.db2.gz KMPZABNLQGLCMQ-SFTDATJTSA-N 1 3 351.494 2.682 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3ccnn3C)CC2)c1 ZINC000192638006 509576908 /nfs/dbraw/zinc/57/69/08/509576908.db2.gz DNOXTIIXSZESIX-LJQANCHMSA-N 1 3 355.530 2.982 20 0 FFADHO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000166345058 509602511 /nfs/dbraw/zinc/60/25/11/509602511.db2.gz VZTOQVFRMXTTRY-WOJBJXKFSA-N 1 3 371.525 2.906 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166345058 509602517 /nfs/dbraw/zinc/60/25/17/509602517.db2.gz VZTOQVFRMXTTRY-WOJBJXKFSA-N 1 3 371.525 2.906 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166345058 509602524 /nfs/dbraw/zinc/60/25/24/509602524.db2.gz VZTOQVFRMXTTRY-WOJBJXKFSA-N 1 3 371.525 2.906 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176630053 509619201 /nfs/dbraw/zinc/61/92/01/509619201.db2.gz MNQKXUZTSBWDFT-WMZOPIPTSA-N 1 3 362.518 2.758 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000167543678 509634601 /nfs/dbraw/zinc/63/46/01/509634601.db2.gz MAJQGGHCPCOGLP-BZSOYRFXSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000167543678 509634607 /nfs/dbraw/zinc/63/46/07/509634607.db2.gz MAJQGGHCPCOGLP-BZSOYRFXSA-N 1 3 361.530 2.596 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000237400788 509638950 /nfs/dbraw/zinc/63/89/50/509638950.db2.gz ZFBZQXXEHYYOAJ-QZTJIDSGSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2c(c1)CCCC2 ZINC000168949524 509652432 /nfs/dbraw/zinc/65/24/32/509652432.db2.gz BRQVUFSYVAVANV-LJQANCHMSA-N 1 3 359.558 2.606 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237532158 509671014 /nfs/dbraw/zinc/67/10/14/509671014.db2.gz UKVPUQAWVJNIBT-YYWHXJBOSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237532158 509671018 /nfs/dbraw/zinc/67/10/18/509671018.db2.gz UKVPUQAWVJNIBT-YYWHXJBOSA-N 1 3 351.494 2.726 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000192848648 509671065 /nfs/dbraw/zinc/67/10/65/509671065.db2.gz LKXUHYXUUAAPQS-WOJBJXKFSA-N 1 3 367.484 2.801 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)C2CCC(C)CC2)[C@@H](C)C1 ZINC000249407062 509673900 /nfs/dbraw/zinc/67/39/00/509673900.db2.gz DLPZYSMOXUEENR-PCODVIEZSA-N 1 3 367.578 2.750 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](c3nccn3C)C3CC3)cc2)CC1 ZINC000183249286 509678367 /nfs/dbraw/zinc/67/83/67/509678367.db2.gz DHAXEIOFEYMGJP-OAQYLSRUSA-N 1 3 367.541 2.799 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000268038427 509730814 /nfs/dbraw/zinc/73/08/14/509730814.db2.gz XHIBJMHFGPLJNR-ZFMNYDKASA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000268038427 509730823 /nfs/dbraw/zinc/73/08/23/509730823.db2.gz XHIBJMHFGPLJNR-ZFMNYDKASA-N 1 3 372.557 2.879 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000237868726 509757421 /nfs/dbraw/zinc/75/74/21/509757421.db2.gz YUCLXVKCQMCIHS-WOJBJXKFSA-N 1 3 373.541 2.691 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1CCN(Cc2cccs2)CC1 ZINC000237882823 509762588 /nfs/dbraw/zinc/76/25/88/509762588.db2.gz YOSYMPWSTJKWJV-AYHJJNSGSA-N 1 3 361.555 2.997 20 0 FFADHO [NH3+]Cc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000237998413 509795317 /nfs/dbraw/zinc/79/53/17/509795317.db2.gz HWRWSKMVAFQMPV-UHFFFAOYSA-N 1 3 355.507 2.989 20 0 FFADHO CC[C@H](C)Oc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccn1 ZINC000180197601 509807997 /nfs/dbraw/zinc/80/79/97/509807997.db2.gz YDHBIOQASFARJG-INIZCTEOSA-N 1 3 374.529 2.547 20 0 FFADHO O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000238114572 509824291 /nfs/dbraw/zinc/82/42/91/509824291.db2.gz NQUGAZYZJWVWTG-IBGZPJMESA-N 1 3 364.493 2.557 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000252204647 509833634 /nfs/dbraw/zinc/83/36/34/509833634.db2.gz UVVCNYIHBHRDSL-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000252204647 509833642 /nfs/dbraw/zinc/83/36/42/509833642.db2.gz UVVCNYIHBHRDSL-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO CCc1ccc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000173955821 509874147 /nfs/dbraw/zinc/87/41/47/509874147.db2.gz LKNHNAHKRUBDCW-INIZCTEOSA-N 1 3 366.575 2.868 20 0 FFADHO CCc1ccc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000173955821 509874156 /nfs/dbraw/zinc/87/41/56/509874156.db2.gz LKNHNAHKRUBDCW-INIZCTEOSA-N 1 3 366.575 2.868 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245528004 509983975 /nfs/dbraw/zinc/98/39/75/509983975.db2.gz DNZSVPFPQVMNIY-QZTJIDSGSA-N 1 3 373.545 2.718 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000245528004 509983982 /nfs/dbraw/zinc/98/39/82/509983982.db2.gz DNZSVPFPQVMNIY-QZTJIDSGSA-N 1 3 373.545 2.718 20 0 FFADHO c1ccc(CN2CCO[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261579423 509994002 /nfs/dbraw/zinc/99/40/02/509994002.db2.gz DVCUOKZFCHOXRI-YUMYIRISSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261604658 509998239 /nfs/dbraw/zinc/99/82/39/509998239.db2.gz AKCXUBHBXROUOQ-LLGFUMIMSA-N 1 3 373.541 2.535 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261604658 509998244 /nfs/dbraw/zinc/99/82/44/509998244.db2.gz AKCXUBHBXROUOQ-LLGFUMIMSA-N 1 3 373.541 2.535 20 0 FFADHO Cn1ccc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc21 ZINC000190213316 510008712 /nfs/dbraw/zinc/00/87/12/510008712.db2.gz AFSXVWNEERFJGH-UHFFFAOYSA-N 1 3 369.513 2.858 20 0 FFADHO [NH3+]CCN(CCc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000261658080 510016192 /nfs/dbraw/zinc/01/61/92/510016192.db2.gz FAHKRUPADFVCQY-UHFFFAOYSA-N 1 3 351.494 2.926 20 0 FFADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261826082 510079566 /nfs/dbraw/zinc/07/95/66/510079566.db2.gz MXEINIKGQAODPK-KNQAVFIVSA-N 1 3 355.526 2.891 20 0 FFADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000261842918 510085430 /nfs/dbraw/zinc/08/54/30/510085430.db2.gz UOKIEDVTZUMZEZ-BHIFYINESA-N 1 3 363.505 2.852 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000245697144 510091336 /nfs/dbraw/zinc/09/13/36/510091336.db2.gz YMXQETBXPDXYCD-MOPGFXCFSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261864280 510093537 /nfs/dbraw/zinc/09/35/37/510093537.db2.gz SMPICGROBFBCKS-CBGDNZLLSA-N 1 3 373.541 2.535 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000261863558 510093875 /nfs/dbraw/zinc/09/38/75/510093875.db2.gz YDUWQUSNXPTXFS-UGKGYDQZSA-N 1 3 373.541 2.642 20 0 FFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000268886988 510119331 /nfs/dbraw/zinc/11/93/31/510119331.db2.gz CRINUABBZNGCFX-AWEZNQCLSA-N 1 3 353.894 2.951 20 0 FFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000268886988 510119338 /nfs/dbraw/zinc/11/93/38/510119338.db2.gz CRINUABBZNGCFX-AWEZNQCLSA-N 1 3 353.894 2.951 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC(N)=O)c1 ZINC000268901365 510125999 /nfs/dbraw/zinc/12/59/99/510125999.db2.gz CPOWVDCYGKKOJH-DYESRHJHSA-N 1 3 367.493 2.551 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC(N)=O)c1 ZINC000268901365 510126002 /nfs/dbraw/zinc/12/60/02/510126002.db2.gz CPOWVDCYGKKOJH-DYESRHJHSA-N 1 3 367.493 2.551 20 0 FFADHO CC(C)C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000174468315 510128688 /nfs/dbraw/zinc/12/86/88/510128688.db2.gz RJVVSSUVVHZHRC-QGZVFWFLSA-N 1 3 350.551 2.623 20 0 FFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261972909 510133770 /nfs/dbraw/zinc/13/37/70/510133770.db2.gz QUBWFVGYKFJDGL-XUVXKRRUSA-N 1 3 361.555 2.804 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000193977671 510157989 /nfs/dbraw/zinc/15/79/89/510157989.db2.gz SEPHPHFETXARBK-BHIFYINESA-N 1 3 369.553 2.871 20 0 FFADHO COc1c(Br)cccc1CNCCN1CCC([NH+](C)C)CC1 ZINC000187281014 510169705 /nfs/dbraw/zinc/16/97/05/510169705.db2.gz WUHODFXJZPXTKC-UHFFFAOYSA-N 1 3 370.335 2.573 20 0 FFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000245916937 510205825 /nfs/dbraw/zinc/20/58/25/510205825.db2.gz GNSVFQSWKFCLGU-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000245916937 510205828 /nfs/dbraw/zinc/20/58/28/510205828.db2.gz GNSVFQSWKFCLGU-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CN1Cc1ccccc1 ZINC000262291007 510233415 /nfs/dbraw/zinc/23/34/15/510233415.db2.gz MXVYTDWOSWSUCH-FECVVGHTSA-N 1 3 355.526 2.919 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246019543 510252766 /nfs/dbraw/zinc/25/27/66/510252766.db2.gz UUNHKXORSIEIES-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000246019543 510252768 /nfs/dbraw/zinc/25/27/68/510252768.db2.gz UUNHKXORSIEIES-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(Br)cc1F ZINC000174725439 510273038 /nfs/dbraw/zinc/27/30/38/510273038.db2.gz QUUFTUSDAGUDOJ-UHFFFAOYSA-N 1 3 358.299 2.658 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000174925491 510390158 /nfs/dbraw/zinc/39/01/58/510390158.db2.gz GIPHVYPNSGQYDH-HOTGVXAUSA-N 1 3 367.563 2.570 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000174925491 510390162 /nfs/dbraw/zinc/39/01/62/510390162.db2.gz GIPHVYPNSGQYDH-HOTGVXAUSA-N 1 3 367.563 2.570 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000178041298 510395271 /nfs/dbraw/zinc/39/52/71/510395271.db2.gz QOKOZDMVCIKHKO-ZACQAIPSSA-N 1 3 368.543 2.630 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000174939575 510397322 /nfs/dbraw/zinc/39/73/22/510397322.db2.gz XSFWQWVGKZYVSS-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000174939575 510397326 /nfs/dbraw/zinc/39/73/26/510397326.db2.gz XSFWQWVGKZYVSS-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1(C)C ZINC000262802222 510418714 /nfs/dbraw/zinc/41/87/14/510418714.db2.gz RKHMUXPIAXYWQU-JUXOCIIHSA-N 1 3 373.541 2.642 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1(C)C ZINC000262802222 510418717 /nfs/dbraw/zinc/41/87/17/510418717.db2.gz RKHMUXPIAXYWQU-JUXOCIIHSA-N 1 3 373.541 2.642 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H](N)c3ccccc3)nc2)CC1 ZINC000269480488 510429305 /nfs/dbraw/zinc/42/93/05/510429305.db2.gz FODFZAJZFQWISQ-IBGZPJMESA-N 1 3 367.497 2.641 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000175010694 510436021 /nfs/dbraw/zinc/43/60/21/510436021.db2.gz JZJKNGPIWXNKLQ-LJQANCHMSA-N 1 3 372.557 2.823 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000175010694 510436027 /nfs/dbraw/zinc/43/60/27/510436027.db2.gz JZJKNGPIWXNKLQ-LJQANCHMSA-N 1 3 372.557 2.823 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000246384121 510459385 /nfs/dbraw/zinc/45/93/85/510459385.db2.gz RUULIYJVQLCPFP-AEFFLSMTSA-N 1 3 350.551 2.765 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000246384121 510459391 /nfs/dbraw/zinc/45/93/91/510459391.db2.gz RUULIYJVQLCPFP-AEFFLSMTSA-N 1 3 350.551 2.765 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000175061458 510464481 /nfs/dbraw/zinc/46/44/81/510464481.db2.gz XDXKWBVOWUJSKL-OAQYLSRUSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(OCCN(C)C)c1 ZINC000178192001 510482120 /nfs/dbraw/zinc/48/21/20/510482120.db2.gz KCOGIGJFSBWQFT-IEBWSBKVSA-N 1 3 369.513 2.737 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000246443144 510492243 /nfs/dbraw/zinc/49/22/43/510492243.db2.gz DOHKKAHERQSWDN-LCLWPZTBSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000246443144 510492251 /nfs/dbraw/zinc/49/22/51/510492251.db2.gz DOHKKAHERQSWDN-LCLWPZTBSA-N 1 3 358.530 2.774 20 0 FFADHO CC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184741444 510493619 /nfs/dbraw/zinc/49/36/19/510493619.db2.gz WIHCHPMQBUKDKR-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@@H](C)C1 ZINC000246474630 510507836 /nfs/dbraw/zinc/50/78/36/510507836.db2.gz QHPJMIAVBODNAE-SXLOBPIMSA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@@H](C)C1 ZINC000246474630 510507841 /nfs/dbraw/zinc/50/78/41/510507841.db2.gz QHPJMIAVBODNAE-SXLOBPIMSA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246475603 510510546 /nfs/dbraw/zinc/51/05/46/510510546.db2.gz HCAFQMMWHLFIQT-WJMWBRGCSA-N 1 3 370.541 2.918 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246475603 510510554 /nfs/dbraw/zinc/51/05/54/510510554.db2.gz HCAFQMMWHLFIQT-WJMWBRGCSA-N 1 3 370.541 2.918 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000175162362 510511173 /nfs/dbraw/zinc/51/11/73/510511173.db2.gz DMJWBZOGDSIORD-WOJBJXKFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000187973641 510528244 /nfs/dbraw/zinc/52/82/44/510528244.db2.gz JBLMWLSYYHAJTF-IRXDYDNUSA-N 1 3 350.551 2.813 20 0 FFADHO CC1(C)[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000181707133 510551105 /nfs/dbraw/zinc/55/11/05/510551105.db2.gz TTWDFBUXYQUOED-HKBOAZHASA-N 1 3 358.526 2.937 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CN1CCC[C@H](C)C1)CC2 ZINC000246561093 510557148 /nfs/dbraw/zinc/55/71/48/510557148.db2.gz YZQQMUTYJQKWCF-MANSERQUSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CN1CCC[C@H](C)C1)CC2 ZINC000246561093 510557155 /nfs/dbraw/zinc/55/71/55/510557155.db2.gz YZQQMUTYJQKWCF-MANSERQUSA-N 1 3 350.551 2.764 20 0 FFADHO CC[C@@H]1CCCC[C@H]1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184886050 510565659 /nfs/dbraw/zinc/56/56/59/510565659.db2.gz PSXOGZSVZYYOGV-YLJYHZDGSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246626841 510589725 /nfs/dbraw/zinc/58/97/25/510589725.db2.gz SNMKAIXNRJPWDF-HMXCVIKNSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246626841 510589734 /nfs/dbraw/zinc/58/97/34/510589734.db2.gz SNMKAIXNRJPWDF-HMXCVIKNSA-N 1 3 372.557 2.927 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000194935615 510600708 /nfs/dbraw/zinc/60/07/08/510600708.db2.gz MBVRGOTVTSIWLP-VQTJNVASSA-N 1 3 374.504 2.539 20 0 FFADHO CC1(C)CN(C2(CNC(=O)CCC3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000263187807 510602099 /nfs/dbraw/zinc/60/20/99/510602099.db2.gz HNWSMZIDRFUBRF-UHFFFAOYSA-N 1 3 365.562 2.696 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000175410528 510632925 /nfs/dbraw/zinc/63/29/25/510632925.db2.gz ANAMNQIHLLJZCR-KRWDZBQOSA-N 1 3 366.575 2.991 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000175410528 510632934 /nfs/dbraw/zinc/63/29/34/510632934.db2.gz ANAMNQIHLLJZCR-KRWDZBQOSA-N 1 3 366.575 2.991 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1(C)C ZINC000188267761 510677765 /nfs/dbraw/zinc/67/77/65/510677765.db2.gz KYAUAPBBFRTFCA-BLIXFSHQSA-N 1 3 361.530 2.546 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1(C)C ZINC000188267761 510677771 /nfs/dbraw/zinc/67/77/71/510677771.db2.gz KYAUAPBBFRTFCA-BLIXFSHQSA-N 1 3 361.530 2.546 20 0 FFADHO O[C@H](COCc1cccs1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246849650 510709156 /nfs/dbraw/zinc/70/91/56/510709156.db2.gz PBCONQBJDFNDGV-AYBZRNKSSA-N 1 3 350.528 2.574 20 0 FFADHO O[C@H](COCc1cccs1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246849650 510709161 /nfs/dbraw/zinc/70/91/61/510709161.db2.gz PBCONQBJDFNDGV-AYBZRNKSSA-N 1 3 350.528 2.574 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185192141 510739987 /nfs/dbraw/zinc/73/99/87/510739987.db2.gz YTHTURYOZJUYCT-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCCN2CCN(CC)CC2)cc1 ZINC000263641805 510763493 /nfs/dbraw/zinc/76/34/93/510763493.db2.gz BNTVRYKFQSGIIW-UHFFFAOYSA-N 1 3 374.573 2.676 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCN2CCN(CC)CC2)cc1 ZINC000263641805 510763499 /nfs/dbraw/zinc/76/34/99/510763499.db2.gz BNTVRYKFQSGIIW-UHFFFAOYSA-N 1 3 374.573 2.676 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([S@@](C)=O)cc1 ZINC000182264471 510837743 /nfs/dbraw/zinc/83/77/43/510837743.db2.gz MJSLWAFGXXBPQO-SKNUGPPASA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([S@@](C)=O)cc1 ZINC000182264471 510837747 /nfs/dbraw/zinc/83/77/47/510837747.db2.gz MJSLWAFGXXBPQO-SKNUGPPASA-N 1 3 372.534 2.841 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000247156932 510846831 /nfs/dbraw/zinc/84/68/31/510846831.db2.gz ITPLJSYNPCFCHE-IAGOWNOFSA-N 1 3 364.559 2.868 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000247156932 510846833 /nfs/dbraw/zinc/84/68/33/510846833.db2.gz ITPLJSYNPCFCHE-IAGOWNOFSA-N 1 3 364.559 2.868 20 0 FFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@@H](C)C1 ZINC000247264987 510854828 /nfs/dbraw/zinc/85/48/28/510854828.db2.gz ZLESGQKETIBUIX-MDKPJZGXSA-N 1 3 361.530 2.598 20 0 FFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@@H](C)C1 ZINC000247264987 510854829 /nfs/dbraw/zinc/85/48/29/510854829.db2.gz ZLESGQKETIBUIX-MDKPJZGXSA-N 1 3 361.530 2.598 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C1CC1 ZINC000247347106 510857907 /nfs/dbraw/zinc/85/79/07/510857907.db2.gz JSSXENHHPAGMLS-IIMDRIAPSA-N 1 3 372.557 2.925 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C1CC1 ZINC000247347106 510857908 /nfs/dbraw/zinc/85/79/08/510857908.db2.gz JSSXENHHPAGMLS-IIMDRIAPSA-N 1 3 372.557 2.925 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000247425573 510860617 /nfs/dbraw/zinc/86/06/17/510860617.db2.gz ZKZNMHKTWUKRBB-NJYVYQBISA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000247425573 510860618 /nfs/dbraw/zinc/86/06/18/510860618.db2.gz ZKZNMHKTWUKRBB-NJYVYQBISA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276318332 510933592 /nfs/dbraw/zinc/93/35/92/510933592.db2.gz WCCUSJVXHFTPAI-KRWDZBQOSA-N 1 3 360.546 2.662 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000294098939 510954935 /nfs/dbraw/zinc/95/49/35/510954935.db2.gz KPROHNAPZYWUGE-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000294098939 510954940 /nfs/dbraw/zinc/95/49/40/510954940.db2.gz KPROHNAPZYWUGE-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000285660060 510999731 /nfs/dbraw/zinc/99/97/31/510999731.db2.gz MDBNEILBKOIAAM-QKYXUNIQSA-N 1 3 361.530 2.971 20 0 FFADHO C[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C1=CCN(C)CC1 ZINC000364687274 511019231 /nfs/dbraw/zinc/01/92/31/511019231.db2.gz OTZNCLYTECPVCF-KKXNLOMOSA-N 1 3 362.562 2.979 20 0 FFADHO CN1CCC[C@@H](CNC(=O)CCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000364850273 511113830 /nfs/dbraw/zinc/11/38/30/511113830.db2.gz KKHQIHFFWWTSJA-WMLDXEAASA-N 1 3 357.420 2.943 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000364980237 511188897 /nfs/dbraw/zinc/18/88/97/511188897.db2.gz ZMBHPTBLRUOUCF-JJRVBVJISA-N 1 3 371.403 2.635 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000333337442 511209246 /nfs/dbraw/zinc/20/92/46/511209246.db2.gz PEFSRPNNAZCWOE-MRXNPFEDSA-N 1 3 358.486 2.508 20 0 FFADHO C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000271533897 511236454 /nfs/dbraw/zinc/23/64/54/511236454.db2.gz RLPGGCMOESYULN-UCNVEGJOSA-N 1 3 372.509 2.762 20 0 FFADHO CC(C)[C@@H](CCO)NCc1cc(C[NH2+][C@@H](CCO)C(C)C)ccc1F ZINC000295065824 511268159 /nfs/dbraw/zinc/26/81/59/511268159.db2.gz VUTKDMYEOFCGOV-VQTJNVASSA-N 1 3 354.510 2.819 20 0 FFADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271742126 511307263 /nfs/dbraw/zinc/30/72/63/511307263.db2.gz FOGBHOKWGWVAII-ZACQAIPSSA-N 1 3 367.559 2.743 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OCC)c(C)[nH]2)[C@H](C)C1 ZINC000295251747 511337857 /nfs/dbraw/zinc/33/78/57/511337857.db2.gz UGTOYSMPHYEUSC-BEFAXECRSA-N 1 3 365.518 2.726 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000365276388 511356641 /nfs/dbraw/zinc/35/66/41/511356641.db2.gz RDDNAIPOHMDLEL-UGKGYDQZSA-N 1 3 367.541 2.639 20 0 FFADHO C[C@@]1(CCCO)CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000272069599 511419995 /nfs/dbraw/zinc/41/99/95/511419995.db2.gz YOBNAFMXRFAPBY-QFIPXVFZSA-N 1 3 373.541 2.526 20 0 FFADHO COc1cc2nccc(N3CC[NH+](C4CCOCC4)CC3)c2cc1OC ZINC000299037815 511494123 /nfs/dbraw/zinc/49/41/23/511494123.db2.gz UBQMNOUVKBXQNM-UHFFFAOYSA-N 1 3 357.454 2.553 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(Br)ncc1F ZINC000273814919 511618485 /nfs/dbraw/zinc/61/84/85/511618485.db2.gz BRBMQHHHRSPOJP-CYBMUJFWSA-N 1 3 373.314 2.661 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(Br)ncc1F ZINC000273814919 511618489 /nfs/dbraw/zinc/61/84/89/511618489.db2.gz BRBMQHHHRSPOJP-CYBMUJFWSA-N 1 3 373.314 2.661 20 0 FFADHO C[C@@H](NCCCN1CCC[N@H+](C)CC1)c1cc(Br)ncc1F ZINC000273814919 511618493 /nfs/dbraw/zinc/61/84/93/511618493.db2.gz BRBMQHHHRSPOJP-CYBMUJFWSA-N 1 3 373.314 2.661 20 0 FFADHO C[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1cc(Br)ncc1F ZINC000273814919 511618499 /nfs/dbraw/zinc/61/84/99/511618499.db2.gz BRBMQHHHRSPOJP-CYBMUJFWSA-N 1 3 373.314 2.661 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCc3ccccc3NC2=O)[C@H](C)C1 ZINC000299396381 511620902 /nfs/dbraw/zinc/62/09/02/511620902.db2.gz RWKRQLQJHHFWKR-KPFFTGBYSA-N 1 3 359.514 2.667 20 0 FFADHO COc1cccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000299478249 511651680 /nfs/dbraw/zinc/65/16/80/511651680.db2.gz AAVPPSNXLLILHX-INIZCTEOSA-N 1 3 374.529 2.614 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000292781322 511718159 /nfs/dbraw/zinc/71/81/59/511718159.db2.gz GYYIOKLWTGLHME-FPOVZHCZSA-N 1 3 356.514 2.561 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000292781322 511718164 /nfs/dbraw/zinc/71/81/64/511718164.db2.gz GYYIOKLWTGLHME-FPOVZHCZSA-N 1 3 356.514 2.561 20 0 FFADHO C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000363825008 511791336 /nfs/dbraw/zinc/79/13/36/511791336.db2.gz MUTVOHMAHIKPMK-UZLBHIALSA-N 1 3 372.513 2.544 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H]1c1ccccc1 ZINC000296552924 511794520 /nfs/dbraw/zinc/79/45/20/511794520.db2.gz RHDKTUJLFMDSEO-PMACEKPBSA-N 1 3 356.514 2.748 20 0 FFADHO Cc1cc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000320681935 511815065 /nfs/dbraw/zinc/81/50/65/511815065.db2.gz MIUZHMGZURDJRX-OKILXGFUSA-N 1 3 366.303 2.627 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296726474 511871247 /nfs/dbraw/zinc/87/12/47/511871247.db2.gz SMIIHMWTLWUIAO-DYESRHJHSA-N 1 3 370.541 2.823 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000296756261 511884101 /nfs/dbraw/zinc/88/41/01/511884101.db2.gz DBZXTIQDFCQSCX-UHFFFAOYSA-N 1 3 372.517 2.608 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000285025033 511973489 /nfs/dbraw/zinc/97/34/89/511973489.db2.gz MQVBENLJWLPTEW-AZUAARDMSA-N 1 3 373.541 2.692 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000285025033 511973493 /nfs/dbraw/zinc/97/34/93/511973493.db2.gz MQVBENLJWLPTEW-AZUAARDMSA-N 1 3 373.541 2.692 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293557046 512008621 /nfs/dbraw/zinc/00/86/21/512008621.db2.gz XBAZMEIXXBUNQW-GHTZIAJQSA-N 1 3 363.521 2.911 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293557056 512008774 /nfs/dbraw/zinc/00/87/74/512008774.db2.gz XBAZMEIXXBUNQW-RXVVDRJESA-N 1 3 363.521 2.911 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000366550463 512083014 /nfs/dbraw/zinc/08/30/14/512083014.db2.gz HISIDTYBZQKQGC-FQEVSTJZSA-N 1 3 359.514 2.512 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000377808104 512460181 /nfs/dbraw/zinc/46/01/81/512460181.db2.gz WAYYRQHCDYKWED-HBMCJLEFSA-N 1 3 373.541 2.830 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]CC2(S(C)(=O)=O)CC2)CC1 ZINC000367367259 512465183 /nfs/dbraw/zinc/46/51/83/512465183.db2.gz IKVPEVMMKQZRJX-UHFFFAOYSA-N 1 3 350.528 2.596 20 0 FFADHO COc1cccc(OC)c1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000367574688 512565796 /nfs/dbraw/zinc/56/57/96/512565796.db2.gz KSDLQFVETZVDCZ-UHFFFAOYSA-N 1 3 361.530 2.744 20 0 FFADHO COc1cccc(OC)c1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000367574688 512565801 /nfs/dbraw/zinc/56/58/01/512565801.db2.gz KSDLQFVETZVDCZ-UHFFFAOYSA-N 1 3 361.530 2.744 20 0 FFADHO CCN1CCC(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000378087366 512583330 /nfs/dbraw/zinc/58/33/30/512583330.db2.gz AKHBBNCSKFCOIZ-UXHICEINSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000378087366 512583335 /nfs/dbraw/zinc/58/33/35/512583335.db2.gz AKHBBNCSKFCOIZ-UXHICEINSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000378209722 512639378 /nfs/dbraw/zinc/63/93/78/512639378.db2.gz KYSJPDTYRYBAOM-QGZVFWFLSA-N 1 3 354.498 2.663 20 0 FFADHO COc1cccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1OC ZINC000369893901 512669199 /nfs/dbraw/zinc/66/91/99/512669199.db2.gz SQTRZDZFRDSZBE-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411550394 512685042 /nfs/dbraw/zinc/68/50/42/512685042.db2.gz KQRYXGBGZAVEOT-HKUYNNGSSA-N 1 3 374.529 2.604 20 0 FFADHO C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376311980 512762019 /nfs/dbraw/zinc/76/20/19/512762019.db2.gz QXAOBJCRJNUUNT-CEWLAPEOSA-N 1 3 367.541 2.889 20 0 FFADHO C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376311980 512762024 /nfs/dbraw/zinc/76/20/24/512762024.db2.gz QXAOBJCRJNUUNT-CEWLAPEOSA-N 1 3 367.541 2.889 20 0 FFADHO C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411718142 512776814 /nfs/dbraw/zinc/77/68/14/512776814.db2.gz KKGLCZCHOZBZCX-DENIHFKCSA-N 1 3 357.542 2.968 20 0 FFADHO C[NH+](C)CCOC1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412113489 512966349 /nfs/dbraw/zinc/96/63/49/512966349.db2.gz IFZHBPQEAPCZNA-UHFFFAOYSA-N 1 3 373.541 2.855 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000368522021 512985793 /nfs/dbraw/zinc/98/57/93/512985793.db2.gz KLKLNBGCHOMDEZ-FQEVSTJZSA-N 1 3 371.525 2.561 20 0 FFADHO COCc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)ccc1OC ZINC000370635051 513025805 /nfs/dbraw/zinc/02/58/05/513025805.db2.gz NUETYFBWVKADEK-QFBILLFUSA-N 1 3 361.530 2.661 20 0 FFADHO C(CN1CC[C@H](C2CCOCC2)C1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372861652 513077912 /nfs/dbraw/zinc/07/79/12/513077912.db2.gz XHYJXOHDLDSYDM-OYRHEFFESA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CC[C@H](C2CCOCC2)C1)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372861652 513077914 /nfs/dbraw/zinc/07/79/14/513077914.db2.gz XHYJXOHDLDSYDM-OYRHEFFESA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CC[C@@H](C2CCOCC2)C1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372861652 513077916 /nfs/dbraw/zinc/07/79/16/513077916.db2.gz XHYJXOHDLDSYDM-OYRHEFFESA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CC[C@@H](C2CCOCC2)C1)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372861652 513077919 /nfs/dbraw/zinc/07/79/19/513077919.db2.gz XHYJXOHDLDSYDM-OYRHEFFESA-N 1 3 350.547 2.874 20 0 FFADHO Cc1ccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)c(OCCN(C)C)c1 ZINC000415203965 513151564 /nfs/dbraw/zinc/15/15/64/513151564.db2.gz MTTJSXCMWMJXON-UHFFFAOYSA-N 1 3 368.481 2.860 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417675936 513153629 /nfs/dbraw/zinc/15/36/29/513153629.db2.gz DAZFHFBOELWFRK-JXFKEZNVSA-N 1 3 356.514 2.748 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000424453854 513154352 /nfs/dbraw/zinc/15/43/52/513154352.db2.gz MKAQLLGZDJXHJN-GUDVDZBRSA-N 1 3 362.518 2.647 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417676666 513155780 /nfs/dbraw/zinc/15/57/80/513155780.db2.gz DDTOZGFLYLGKGF-QRFRQXIXSA-N 1 3 372.557 2.838 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417681867 513158151 /nfs/dbraw/zinc/15/81/51/513158151.db2.gz KIBXTXIPGOOHRL-AHRSYUTCSA-N 1 3 372.557 2.886 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424472792 513160663 /nfs/dbraw/zinc/16/06/63/513160663.db2.gz VNXIQYKFFDIZAC-UHFFFAOYSA-N 1 3 374.529 2.507 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000417694449 513167158 /nfs/dbraw/zinc/16/71/58/513167158.db2.gz RXGHTXBMKFVURU-IMFGXOCKSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)N(C)Cc1ccccc1 ZINC000428755337 513182941 /nfs/dbraw/zinc/18/29/41/513182941.db2.gz XFCFIXBTQKSJGS-QGZVFWFLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433912163 513183170 /nfs/dbraw/zinc/18/31/70/513183170.db2.gz MGOUHARORIHLEM-ZMMAXQRCSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433912163 513183173 /nfs/dbraw/zinc/18/31/73/513183173.db2.gz MGOUHARORIHLEM-ZMMAXQRCSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](C)CN1 ZINC000417738256 513188575 /nfs/dbraw/zinc/18/85/75/513188575.db2.gz OQBWKWRGTYGJFW-WBTNSWJXSA-N 1 3 350.532 2.523 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](C)CN1 ZINC000417738256 513188579 /nfs/dbraw/zinc/18/85/79/513188579.db2.gz OQBWKWRGTYGJFW-WBTNSWJXSA-N 1 3 350.532 2.523 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417741108 513190944 /nfs/dbraw/zinc/19/09/44/513190944.db2.gz TUFAMFDQHVYCNG-GDBMZVCRSA-N 1 3 352.548 2.757 20 0 FFADHO CC[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCc2ccccc2C1 ZINC000446139384 513195109 /nfs/dbraw/zinc/19/51/09/513195109.db2.gz QJROSKJDTFPEGC-FQEVSTJZSA-N 1 3 372.557 2.949 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417815324 513218119 /nfs/dbraw/zinc/21/81/19/513218119.db2.gz BVWUNVLDIBPTSV-DUXKGJEZSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417815324 513218125 /nfs/dbraw/zinc/21/81/25/513218125.db2.gz BVWUNVLDIBPTSV-DUXKGJEZSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000417819846 513221639 /nfs/dbraw/zinc/22/16/39/513221639.db2.gz GRZGGRCTFMMHQI-PIKOESSRSA-N 1 3 358.530 2.523 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417831971 513225947 /nfs/dbraw/zinc/22/59/47/513225947.db2.gz SQNFYPQVHHHETE-UZKOGDIHSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417831445 513226064 /nfs/dbraw/zinc/22/60/64/513226064.db2.gz SKTZWYYDAIIFAE-BTHPGYMESA-N 1 3 358.530 2.714 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000417842433 513233878 /nfs/dbraw/zinc/23/38/78/513233878.db2.gz PTIDQZATXXIYSS-IHPCNDPISA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)C1(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000446621929 513298723 /nfs/dbraw/zinc/29/87/23/513298723.db2.gz DNCLYSJHHAQWTQ-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000418038612 513346278 /nfs/dbraw/zinc/34/62/78/513346278.db2.gz SLLZDVATIPENEO-UXHICEINSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418038687 513346683 /nfs/dbraw/zinc/34/66/83/513346683.db2.gz SPDYYKJYEGYFPX-WOJBJXKFSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418043994 513350871 /nfs/dbraw/zinc/35/08/71/513350871.db2.gz ZMYMCBBZZMFLTC-AABGKKOBSA-N 1 3 358.530 2.536 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000421708969 513380370 /nfs/dbraw/zinc/38/03/70/513380370.db2.gz BTYXKIRIWUGGLM-MSOLQXFVSA-N 1 3 365.468 2.696 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000421708969 513380376 /nfs/dbraw/zinc/38/03/76/513380376.db2.gz BTYXKIRIWUGGLM-MSOLQXFVSA-N 1 3 365.468 2.696 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000418130935 513383947 /nfs/dbraw/zinc/38/39/47/513383947.db2.gz COBYZJSBAUANCB-LEWJYISDSA-N 1 3 366.509 2.896 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000418130935 513383953 /nfs/dbraw/zinc/38/39/53/513383953.db2.gz COBYZJSBAUANCB-LEWJYISDSA-N 1 3 366.509 2.896 20 0 FFADHO CN1CCCN(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429485791 513389531 /nfs/dbraw/zinc/38/95/31/513389531.db2.gz FOCJGFQRYCYUHI-HXUWFJFHSA-N 1 3 372.557 2.807 20 0 FFADHO CN1CCCN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429485791 513389535 /nfs/dbraw/zinc/38/95/35/513389535.db2.gz FOCJGFQRYCYUHI-HXUWFJFHSA-N 1 3 372.557 2.807 20 0 FFADHO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429492082 513391653 /nfs/dbraw/zinc/39/16/53/513391653.db2.gz MJACMJACLAWKLG-PMACEKPBSA-N 1 3 372.557 2.805 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)C1CC1 ZINC000418153114 513393578 /nfs/dbraw/zinc/39/35/78/513393578.db2.gz USACSXWXUFAZFQ-HXUWFJFHSA-N 1 3 370.541 2.682 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418172599 513404677 /nfs/dbraw/zinc/40/46/77/513404677.db2.gz XCKPKWILPVYLQR-YQQAZPJKSA-N 1 3 350.507 2.786 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N(C)C ZINC000418183578 513410232 /nfs/dbraw/zinc/41/02/32/513410232.db2.gz OLFGECQCWNFRIX-LPBINRMYSA-N 1 3 358.530 2.755 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000418187114 513411952 /nfs/dbraw/zinc/41/19/52/513411952.db2.gz CXDSTSIADCYSJP-BJYDCXRDSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCN1Cc1ccccc1 ZINC000418193867 513415590 /nfs/dbraw/zinc/41/55/90/513415590.db2.gz NYAWDUVWYSUBHY-JRGCBEDISA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2=CC[NH2+]CC2)N(C)C)cc1 ZINC000418199831 513418137 /nfs/dbraw/zinc/41/81/37/513418137.db2.gz XSYTYFIFJQDVDL-FQEVSTJZSA-N 1 3 358.530 2.707 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)N(CC)CC)cc1 ZINC000418218644 513426875 /nfs/dbraw/zinc/42/68/75/513426875.db2.gz RFALWHTXSPLBNI-ACRUOGEOSA-N 1 3 372.557 2.883 20 0 FFADHO C[NH2+]CCCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415813031 513432915 /nfs/dbraw/zinc/43/29/15/513432915.db2.gz ZKFXDMZHAOPFDU-UHFFFAOYSA-N 1 3 354.882 2.544 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000418236173 513434604 /nfs/dbraw/zinc/43/46/04/513434604.db2.gz UKHFZHKLRYWWJS-WBVHZDCISA-N 1 3 352.548 2.684 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000418240520 513437963 /nfs/dbraw/zinc/43/79/63/513437963.db2.gz ZQOUKWHCWSTVKS-NVXWUHKLSA-N 1 3 352.548 2.828 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418242536 513438301 /nfs/dbraw/zinc/43/83/01/513438301.db2.gz VIROOFMRHSXJEI-OTWHNJEPSA-N 1 3 350.551 2.528 20 0 FFADHO COC1([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCCC1 ZINC000421845495 513451699 /nfs/dbraw/zinc/45/16/99/513451699.db2.gz QKVKPZJIHDTOCQ-SFHVURJKSA-N 1 3 373.541 2.950 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418334545 513468891 /nfs/dbraw/zinc/46/88/91/513468891.db2.gz GGYVPUOTZDYIBO-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000418339855 513470143 /nfs/dbraw/zinc/47/01/43/513470143.db2.gz BXHHGNGEGXFBJH-FQEVSTJZSA-N 1 3 352.482 2.912 20 0 FFADHO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418342744 513474225 /nfs/dbraw/zinc/47/42/25/513474225.db2.gz IZVUVKDSNXTTIL-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418355328 513479510 /nfs/dbraw/zinc/47/95/10/513479510.db2.gz WYOWPRZUYDKDLH-HBFSDRIKSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)[C@H]1CCC[NH2+]C1 ZINC000418354153 513480012 /nfs/dbraw/zinc/48/00/12/513480012.db2.gz WEEMERHFQOVKIE-RCZSKKKRSA-N 1 3 370.541 2.682 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418369579 513487487 /nfs/dbraw/zinc/48/74/87/513487487.db2.gz NRAODAPIFSHKPA-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415935527 513487697 /nfs/dbraw/zinc/48/76/97/513487697.db2.gz JTTRGZQMLSLHAW-UHFFFAOYSA-N 1 3 374.460 2.759 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000415940399 513489380 /nfs/dbraw/zinc/48/93/80/513489380.db2.gz UAVCYGBCTCYEEQ-FQEVSTJZSA-N 1 3 368.481 2.983 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418380328 513490548 /nfs/dbraw/zinc/49/05/48/513490548.db2.gz WVPUJJQXDBFLGS-MRXNPFEDSA-N 1 3 372.435 2.531 20 0 FFADHO C[NH2+]C[C@@H](C)CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418385421 513491560 /nfs/dbraw/zinc/49/15/60/513491560.db2.gz KPFBYQOEAJWOGZ-CQSZACIVSA-N 1 3 374.451 2.634 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)[C@H]1c1ccccc1 ZINC000415948063 513493771 /nfs/dbraw/zinc/49/37/71/513493771.db2.gz TTWXPBIHNAQQRD-RTBURBONSA-N 1 3 354.454 2.591 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418435461 513508928 /nfs/dbraw/zinc/50/89/28/513508928.db2.gz WOZGNQUTZBLZKB-VAMGGRTRSA-N 1 3 358.530 2.810 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418433971 513509143 /nfs/dbraw/zinc/50/91/43/513509143.db2.gz DRWDECDVSKDBOZ-UHFFFAOYSA-N 1 3 360.546 2.854 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000447586444 513515165 /nfs/dbraw/zinc/51/51/65/513515165.db2.gz NXIDNEKLLWMTFW-CHDNSQQPSA-N 1 3 353.510 2.781 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415986321 513518793 /nfs/dbraw/zinc/51/87/93/513518793.db2.gz AEJZHHALHHUKDB-JKSUJKDBSA-N 1 3 374.451 2.722 20 0 FFADHO [NH3+]CC[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)C(F)(F)F ZINC000415989379 513519623 /nfs/dbraw/zinc/51/96/23/513519623.db2.gz AFNMTTWISDYJMZ-MRXNPFEDSA-N 1 3 372.435 2.751 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000441281515 513529888 /nfs/dbraw/zinc/52/98/88/513529888.db2.gz FSTAKJOVRPNLQD-ZTNFWEORSA-N 1 3 358.530 2.776 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000441281515 513529892 /nfs/dbraw/zinc/52/98/92/513529892.db2.gz FSTAKJOVRPNLQD-ZTNFWEORSA-N 1 3 358.530 2.776 20 0 FFADHO C[C@]1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCCN1Cc1ccccc1 ZINC000416025091 513544807 /nfs/dbraw/zinc/54/48/07/513544807.db2.gz GTBVXHJFYNSSRF-NVXWUHKLSA-N 1 3 372.435 2.620 20 0 FFADHO CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418541623 513550051 /nfs/dbraw/zinc/55/00/51/513550051.db2.gz FAFVNRMKQGNYEX-QGZVKYPTSA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418548035 513551800 /nfs/dbraw/zinc/55/18/00/513551800.db2.gz BVJKOHTVLJMICN-UHFFFAOYSA-N 1 3 370.472 2.702 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418634052 513584477 /nfs/dbraw/zinc/58/44/77/513584477.db2.gz JASZQDNKCCKTTB-UYAOXDASSA-N 1 3 356.514 2.533 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425473218 513584427 /nfs/dbraw/zinc/58/44/27/513584427.db2.gz KJDMVWGRGAJLPN-UWHLTILDSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418631493 513584856 /nfs/dbraw/zinc/58/48/56/513584856.db2.gz BCZTXYZCLLIRPX-KRWDZBQOSA-N 1 3 350.894 2.552 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418643076 513588311 /nfs/dbraw/zinc/58/83/11/513588311.db2.gz AZPFLDOCCCDPBK-ICSRJNTNSA-N 1 3 358.530 2.909 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000418649023 513591969 /nfs/dbraw/zinc/59/19/69/513591969.db2.gz IPVLISZPDSVEGZ-FQEVSTJZSA-N 1 3 358.530 2.909 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418679647 513609799 /nfs/dbraw/zinc/60/97/99/513609799.db2.gz FEWNYDQYLYAUAD-VQTJNVASSA-N 1 3 358.530 2.650 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418702821 513617843 /nfs/dbraw/zinc/61/78/43/513617843.db2.gz QNWNEEGGONGQNQ-HOJAQTOUSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418707263 513619044 /nfs/dbraw/zinc/61/90/44/513619044.db2.gz BJZASKUIDBYYKF-ZBFHGGJFSA-N 1 3 368.472 2.556 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418710103 513619301 /nfs/dbraw/zinc/61/93/01/513619301.db2.gz DQJXJCNVCWRGOY-COXVUDFISA-N 1 3 352.910 2.759 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418711388 513620949 /nfs/dbraw/zinc/62/09/49/513620949.db2.gz FNWTVWSFBKNRMO-CRAIPNDOSA-N 1 3 366.937 2.931 20 0 FFADHO CS[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1N1CCCC1 ZINC000416197880 513640135 /nfs/dbraw/zinc/64/01/35/513640135.db2.gz JCLAKWZYVHKIOW-IPMKNSEASA-N 1 3 361.555 2.718 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768910 513649739 /nfs/dbraw/zinc/64/97/39/513649739.db2.gz MZTSTGWXFTUPOV-SFHVURJKSA-N 1 3 366.937 2.945 20 0 FFADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccc(Br)cc1F ZINC000430548031 513683516 /nfs/dbraw/zinc/68/35/16/513683516.db2.gz BAFXUNYRCHDJSZ-OAHLLOKOSA-N 1 3 360.271 2.880 20 0 FFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000430582548 513694420 /nfs/dbraw/zinc/69/44/20/513694420.db2.gz LGZSCBFMZSXLKY-INIZCTEOSA-N 1 3 356.514 2.537 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000448203305 513706626 /nfs/dbraw/zinc/70/66/26/513706626.db2.gz XLSVEWGAVAWALT-GBESFXJTSA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000448203305 513706637 /nfs/dbraw/zinc/70/66/37/513706637.db2.gz XLSVEWGAVAWALT-GBESFXJTSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000430675998 513719885 /nfs/dbraw/zinc/71/98/85/513719885.db2.gz BYPAFOYJIVEXID-WMZOPIPTSA-N 1 3 359.514 2.608 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000448255718 513720350 /nfs/dbraw/zinc/72/03/50/513720350.db2.gz KAZQMTSPXCCFRI-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)N(C)C ZINC000425786547 513747810 /nfs/dbraw/zinc/74/78/10/513747810.db2.gz MCMSMAKREZOHFF-XEYPJELSSA-N 1 3 358.530 2.722 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)N(C)C ZINC000425786547 513747818 /nfs/dbraw/zinc/74/78/18/513747818.db2.gz MCMSMAKREZOHFF-XEYPJELSSA-N 1 3 358.530 2.722 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCOCC2CCC2)CC1 ZINC000419234853 513753892 /nfs/dbraw/zinc/75/38/92/513753892.db2.gz IJTNQCHXWBPSGP-UHFFFAOYSA-N 1 3 365.562 2.507 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430886614 513773009 /nfs/dbraw/zinc/77/30/09/513773009.db2.gz BXYZGIZPEWHJAZ-CALCHBBNSA-N 1 3 356.514 2.983 20 0 FFADHO COc1ccnc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430935141 513786598 /nfs/dbraw/zinc/78/65/98/513786598.db2.gz OXFKQEHLSKJWCC-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC2(CC[NH2+]C2)CC1 ZINC000430968025 513796799 /nfs/dbraw/zinc/79/67/99/513796799.db2.gz VHWRTHKZBAAFQB-UHFFFAOYSA-N 1 3 358.438 2.804 20 0 FFADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)CN(C)C ZINC000425947856 513804619 /nfs/dbraw/zinc/80/46/19/513804619.db2.gz XQIYZBMMCZYHOE-CHWSQXEVSA-N 1 3 356.308 2.954 20 0 FFADHO C[C@H](CN[C@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+](C)C ZINC000425947856 513804626 /nfs/dbraw/zinc/80/46/26/513804626.db2.gz XQIYZBMMCZYHOE-CHWSQXEVSA-N 1 3 356.308 2.954 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425947858 513805414 /nfs/dbraw/zinc/80/54/14/513805414.db2.gz XQIYZBMMCZYHOE-QWHCGFSZSA-N 1 3 356.308 2.954 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H](C)C[NH+](C)C ZINC000425947858 513805416 /nfs/dbraw/zinc/80/54/16/513805416.db2.gz XQIYZBMMCZYHOE-QWHCGFSZSA-N 1 3 356.308 2.954 20 0 FFADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058064 513856316 /nfs/dbraw/zinc/85/63/16/513856316.db2.gz IZGCTGGMPMYHLC-YLJYHZDGSA-N 1 3 359.514 2.810 20 0 FFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])N1CCCCC1 ZINC000422717984 513911741 /nfs/dbraw/zinc/91/17/41/513911741.db2.gz WNILCGLLVBGZRJ-MDNKFWRPSA-N 1 3 361.530 2.564 20 0 FFADHO c1cc(CN2CCOCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422761815 513923404 /nfs/dbraw/zinc/92/34/04/513923404.db2.gz HQYBSUQTXYRACM-FDFHNCONSA-N 1 3 357.542 2.919 20 0 FFADHO COc1cccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422768621 513927067 /nfs/dbraw/zinc/92/70/67/513927067.db2.gz UGUHBRFMNMTBKA-KJJMTIBFSA-N 1 3 373.541 2.579 20 0 FFADHO CN1CCN(c2ccc(C(F)(F)F)cc2CN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422782491 513930654 /nfs/dbraw/zinc/93/06/54/513930654.db2.gz NERDQPFDVKBVGI-PBHICJAKSA-N 1 3 370.463 2.674 20 0 FFADHO Fc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422804263 513936793 /nfs/dbraw/zinc/93/67/93/513936793.db2.gz FATAZWRBMDJNAW-BHIFYINESA-N 1 3 374.548 2.848 20 0 FFADHO OC1CCN(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422832365 513945577 /nfs/dbraw/zinc/94/55/77/513945577.db2.gz FXDKTZHCQNDPBD-FDFHNCONSA-N 1 3 357.542 2.654 20 0 FFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422830485 513945806 /nfs/dbraw/zinc/94/58/06/513945806.db2.gz IHUXHTIORNDNCK-DXBBTUNJSA-N 1 3 359.558 2.686 20 0 FFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422845761 513950595 /nfs/dbraw/zinc/95/05/95/513950595.db2.gz CTVBMOMMMRRIAU-TZIWHRDSSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(CN2CCOCC2)CCCCC1 ZINC000422845761 513950604 /nfs/dbraw/zinc/95/06/04/513950604.db2.gz CTVBMOMMMRRIAU-TZIWHRDSSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H](C3CC3)[C@@H]3CNCCO3)cc2)C1 ZINC000422852430 513953447 /nfs/dbraw/zinc/95/34/47/513953447.db2.gz ANTUJBXGHCECMK-VOQZNFBZSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H](C3CC3)[C@@H]3CNCCO3)cc2)C1 ZINC000422852430 513953455 /nfs/dbraw/zinc/95/34/55/513953455.db2.gz ANTUJBXGHCECMK-VOQZNFBZSA-N 1 3 357.542 2.775 20 0 FFADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OCCC(C)C ZINC000422882618 513962009 /nfs/dbraw/zinc/96/20/09/513962009.db2.gz PGJUMCYQHDCRIQ-RYQLBKOJSA-N 1 3 350.503 2.962 20 0 FFADHO Clc1cccc(N2CCN(CCCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422891535 513967025 /nfs/dbraw/zinc/96/70/25/513967025.db2.gz VSBLJPPFVWANMY-DFNIBXOVSA-N 1 3 362.949 2.725 20 0 FFADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422923584 513976495 /nfs/dbraw/zinc/97/64/95/513976495.db2.gz WRBGOZNMJZEOHS-XUVXKRRUSA-N 1 3 360.498 2.681 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416811072 513977428 /nfs/dbraw/zinc/97/74/28/513977428.db2.gz CIMFUHTWGFVVHA-SFHVURJKSA-N 1 3 362.518 2.649 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000416823181 513982290 /nfs/dbraw/zinc/98/22/90/513982290.db2.gz NVIPDVWJNICWQA-HOJAQTOUSA-N 1 3 374.529 2.649 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000416823183 513983540 /nfs/dbraw/zinc/98/35/40/513983540.db2.gz NVIPDVWJNICWQA-RLLQIKCJSA-N 1 3 374.529 2.649 20 0 FFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422942852 513985120 /nfs/dbraw/zinc/98/51/20/513985120.db2.gz KSSCXVHCXNQYTN-KEYYUXOJSA-N 1 3 352.320 2.992 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416831567 513989096 /nfs/dbraw/zinc/98/90/96/513989096.db2.gz HNSDNKRWWNAORW-CVEARBPZSA-N 1 3 352.548 2.818 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)N(C)C)cc1 ZINC000416831792 513989320 /nfs/dbraw/zinc/98/93/20/513989320.db2.gz BGRGFVSYCWUBFX-NJYVYQBISA-N 1 3 372.557 2.883 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)N2CCCC2)cc1 ZINC000416833940 513989903 /nfs/dbraw/zinc/98/99/03/513989903.db2.gz XOEKUEGMOKODPG-WOJBJXKFSA-N 1 3 374.529 2.649 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416833372 513990631 /nfs/dbraw/zinc/99/06/31/513990631.db2.gz XGPSCMVQBGXYGM-TZIWHRDSSA-N 1 3 374.529 2.521 20 0 FFADHO O=C(NCCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422953550 513991214 /nfs/dbraw/zinc/99/12/14/513991214.db2.gz FPAIVZVWBDMXLG-OXJNMPFZSA-N 1 3 371.506 2.714 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)[C@H](C[NH3+])C1 ZINC000416840867 513994802 /nfs/dbraw/zinc/99/48/02/513994802.db2.gz LJXMJHUEILSLBS-OWCLPIDISA-N 1 3 350.532 2.654 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000416841770 513996674 /nfs/dbraw/zinc/99/66/74/513996674.db2.gz IAYFBEGONKACAM-SFHVURJKSA-N 1 3 362.518 2.649 20 0 FFADHO O[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)C1 ZINC000422977366 513997396 /nfs/dbraw/zinc/99/73/96/513997396.db2.gz JWODZWIIFCXDEC-KJJMTIBFSA-N 1 3 357.542 2.524 20 0 FFADHO COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CCC[C@@H]3CN)n2)ccc1O ZINC000422984928 513999208 /nfs/dbraw/zinc/99/92/08/513999208.db2.gz BOYZCFQFWQPMEV-HZPDHXFCSA-N 1 3 374.485 2.881 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000416849246 514001955 /nfs/dbraw/zinc/00/19/55/514001955.db2.gz XPZGPYLQLCUZIN-JKSUJKDBSA-N 1 3 350.532 2.574 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416852323 514002784 /nfs/dbraw/zinc/00/27/84/514002784.db2.gz MKMVPSHRJYIRHF-UYAOXDASSA-N 1 3 374.529 2.664 20 0 FFADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414188018 514003516 /nfs/dbraw/zinc/00/35/16/514003516.db2.gz IRGMQCIHGZKYJU-FQEVSTJZSA-N 1 3 373.541 2.595 20 0 FFADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CCCO2 ZINC000414193378 514006525 /nfs/dbraw/zinc/00/65/25/514006525.db2.gz MRCAJERENGTWMP-HXUWFJFHSA-N 1 3 373.541 2.595 20 0 FFADHO CSc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414203278 514011357 /nfs/dbraw/zinc/01/13/57/514011357.db2.gz UZWLRJXAYRNZKH-KRWDZBQOSA-N 1 3 363.571 2.856 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031220 514012291 /nfs/dbraw/zinc/01/22/91/514012291.db2.gz WVIKERVMQZBZBK-SKOJWQBXSA-N 1 3 369.912 2.814 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031220 514012296 /nfs/dbraw/zinc/01/22/96/514012296.db2.gz WVIKERVMQZBZBK-SKOJWQBXSA-N 1 3 369.912 2.814 20 0 FFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423028140 514012441 /nfs/dbraw/zinc/01/24/41/514012441.db2.gz QEGQNUBKZMFPRK-BHIFYINESA-N 1 3 372.557 2.786 20 0 FFADHO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423029204 514012485 /nfs/dbraw/zinc/01/24/85/514012485.db2.gz HRVDWYNTOHCBJU-APHBMKBZSA-N 1 3 371.319 2.732 20 0 FFADHO COc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423029204 514012488 /nfs/dbraw/zinc/01/24/88/514012488.db2.gz HRVDWYNTOHCBJU-APHBMKBZSA-N 1 3 371.319 2.732 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cn(C(C)(C)C)nc2C)CC[NH2+]CC1 ZINC000423046216 514018173 /nfs/dbraw/zinc/01/81/73/514018173.db2.gz FDVXAMNQIJCVKL-ZBFHGGJFSA-N 1 3 364.534 2.919 20 0 FFADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066110 514024723 /nfs/dbraw/zinc/02/47/23/514024723.db2.gz CYXDUEVAXXJWMQ-UKRRQHHQSA-N 1 3 374.312 2.832 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000431865389 514025204 /nfs/dbraw/zinc/02/52/04/514025204.db2.gz PVAVYVHKWFTFJN-VQIMIIECSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H](CCCC[NH3+])NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423086873 514036095 /nfs/dbraw/zinc/03/60/95/514036095.db2.gz MUGQMSNJUNXBKQ-NSHDSACASA-N 1 3 352.422 2.716 20 0 FFADHO OC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCN(Cc2ccccc2)CC1 ZINC000414296979 514038410 /nfs/dbraw/zinc/03/84/10/514038410.db2.gz GAANKJJEXXHBBL-PWRODBHTSA-N 1 3 370.537 2.951 20 0 FFADHO C[C@](CO)(CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423115324 514047059 /nfs/dbraw/zinc/04/70/59/514047059.db2.gz XUCDZNMRWJTHQD-KSEOMHKRSA-N 1 3 352.478 2.782 20 0 FFADHO Clc1cccc(-n2ccnc2)c1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423148584 514059748 /nfs/dbraw/zinc/05/97/48/514059748.db2.gz WAOHOUJSGPKETF-ZTFGCOKTSA-N 1 3 360.889 2.772 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000416946244 514059958 /nfs/dbraw/zinc/05/99/58/514059958.db2.gz APVKROBGMOGWCR-IBGZPJMESA-N 1 3 352.482 2.658 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449080853 514063597 /nfs/dbraw/zinc/06/35/97/514063597.db2.gz ZRQRNVKEOHNGSY-UHFFFAOYSA-N 1 3 361.530 2.745 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423162312 514066065 /nfs/dbraw/zinc/06/60/65/514066065.db2.gz PAVWRRFZKASGGM-QIIPPGSGSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423162312 514066068 /nfs/dbraw/zinc/06/60/68/514066068.db2.gz PAVWRRFZKASGGM-QIIPPGSGSA-N 1 3 369.347 2.886 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000423162445 514066130 /nfs/dbraw/zinc/06/61/30/514066130.db2.gz PEGMMBAZXBADDX-JLZZUVOBSA-N 1 3 373.310 2.989 20 0 FFADHO C[C@@H](C[NH2+]C[C@H](C)CN1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449085972 514067244 /nfs/dbraw/zinc/06/72/44/514067244.db2.gz ARRQPAJBTGJPCO-IRXDYDNUSA-N 1 3 352.544 2.905 20 0 FFADHO C[C@@H](CNC[C@H](C)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449085972 514067248 /nfs/dbraw/zinc/06/72/48/514067248.db2.gz ARRQPAJBTGJPCO-IRXDYDNUSA-N 1 3 352.544 2.905 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423168135 514067454 /nfs/dbraw/zinc/06/74/54/514067454.db2.gz GVSVBZDLWNMUBI-GRDNDAEWSA-N 1 3 373.310 2.846 20 0 FFADHO Cc1c([C@@H](C)NCCCN2CC[NH2+]CC2)cnn1-c1cc(C)ccc1C ZINC000423177610 514070071 /nfs/dbraw/zinc/07/00/71/514070071.db2.gz JDIXAJBQBWHBRV-GOSISDBHSA-N 1 3 355.530 2.743 20 0 FFADHO Fc1cc(Br)ccc1[C@@H](NCCCN1CC[NH2+]CC1)C1CC1 ZINC000423189759 514075547 /nfs/dbraw/zinc/07/55/47/514075547.db2.gz RMJRKPFMLPLMEV-KRWDZBQOSA-N 1 3 370.310 2.924 20 0 FFADHO FC(F)Oc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423202917 514078232 /nfs/dbraw/zinc/07/82/32/514078232.db2.gz LMENNHFVYUXFKE-LJQANCHMSA-N 1 3 361.436 2.872 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000416973994 514079782 /nfs/dbraw/zinc/07/97/82/514079782.db2.gz KLAIUNDJEUPGGG-OKZBNKHCSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000416973994 514079788 /nfs/dbraw/zinc/07/97/88/514079788.db2.gz KLAIUNDJEUPGGG-OKZBNKHCSA-N 1 3 358.530 2.953 20 0 FFADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(F)c(Cl)c1 ZINC000420312176 514086688 /nfs/dbraw/zinc/08/66/88/514086688.db2.gz RSHDJUPKWMBMRR-INIZCTEOSA-N 1 3 351.853 2.660 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[C@@H](C)CN1 ZINC000416979944 514088409 /nfs/dbraw/zinc/08/84/09/514088409.db2.gz SZAVTYURYUUSCS-KURKYZTESA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[C@@H](C)CN1 ZINC000416979944 514088415 /nfs/dbraw/zinc/08/84/15/514088415.db2.gz SZAVTYURYUUSCS-KURKYZTESA-N 1 3 358.530 2.953 20 0 FFADHO COc1cccc2c(C[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cccc12 ZINC000449136515 514088915 /nfs/dbraw/zinc/08/89/15/514088915.db2.gz VMBWOFAMZVJRQR-QGZVFWFLSA-N 1 3 355.482 2.525 20 0 FFADHO COc1cccc2c(CNCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cccc12 ZINC000449136515 514088920 /nfs/dbraw/zinc/08/89/20/514088920.db2.gz VMBWOFAMZVJRQR-QGZVFWFLSA-N 1 3 355.482 2.525 20 0 FFADHO COc1cccc2c(CNCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cccc12 ZINC000449136515 514088932 /nfs/dbraw/zinc/08/89/32/514088932.db2.gz VMBWOFAMZVJRQR-QGZVFWFLSA-N 1 3 355.482 2.525 20 0 FFADHO CCN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000420318256 514090236 /nfs/dbraw/zinc/09/02/36/514090236.db2.gz OFTVPVKJXCOFSG-WTNAPCKOSA-N 1 3 356.510 2.879 20 0 FFADHO CN1CCO[C@H]([C@H](NCC[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)C1 ZINC000423261369 514095001 /nfs/dbraw/zinc/09/50/01/514095001.db2.gz RZVPCQUMSSJVNT-AYOQOUSVSA-N 1 3 351.922 2.691 20 0 FFADHO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420339599 514100503 /nfs/dbraw/zinc/10/05/03/514100503.db2.gz OMLKVHFSDWVEPK-MCIONIFRSA-N 1 3 355.404 2.964 20 0 FFADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000423293902 514102868 /nfs/dbraw/zinc/10/28/68/514102868.db2.gz SLBVXJSAMVLDQL-DJJJIMSYSA-N 1 3 359.495 2.521 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346611 514105300 /nfs/dbraw/zinc/10/53/00/514105300.db2.gz YZKAARNCYKTUIH-FJIDUMEYSA-N 1 3 359.514 2.582 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2NCCCC2(C)C)cc1 ZINC000423337278 514111166 /nfs/dbraw/zinc/11/11/66/514111166.db2.gz VDZFKQDXBWGNMX-LJQANCHMSA-N 1 3 361.530 2.802 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417008052 514113907 /nfs/dbraw/zinc/11/39/07/514113907.db2.gz ICHZKLJABSKWJU-LSTHTHJFSA-N 1 3 358.530 2.640 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000423354786 514115702 /nfs/dbraw/zinc/11/57/02/514115702.db2.gz GXUFVBKHCKJMRH-NHCUHLMSSA-N 1 3 357.542 2.965 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000423354786 514115705 /nfs/dbraw/zinc/11/57/05/514115705.db2.gz GXUFVBKHCKJMRH-NHCUHLMSSA-N 1 3 357.542 2.965 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCCc3nc(-c4ccccc4)no3)CC2)C1 ZINC000420380674 514117188 /nfs/dbraw/zinc/11/71/88/514117188.db2.gz BZNOXCDKMDXGRG-OALUTQOASA-N 1 3 370.497 2.888 20 0 FFADHO C[C@@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)C(=O)NCc1ccco1 ZINC000449221785 514120934 /nfs/dbraw/zinc/12/09/34/514120934.db2.gz HDTACKRFLBJDAI-ZWKOTPCHSA-N 1 3 369.509 2.970 20 0 FFADHO N[C@@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCC1 ZINC000423384868 514125504 /nfs/dbraw/zinc/12/55/04/514125504.db2.gz IEAKBGTZCLEQMO-OAQYLSRUSA-N 1 3 357.542 2.965 20 0 FFADHO COc1cc(NC(=O)CCN2CC[C@H](C)[C@@H](C[NH3+])C2)c(OC)cc1Cl ZINC000420397347 514131281 /nfs/dbraw/zinc/13/12/81/514131281.db2.gz FYECZLLTHWVWDA-STQMWFEESA-N 1 3 369.893 2.603 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000417033840 514132056 /nfs/dbraw/zinc/13/20/56/514132056.db2.gz FYHYDXOWTPAORW-XLIONFOSSA-N 1 3 358.530 2.685 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000417033840 514132061 /nfs/dbraw/zinc/13/20/61/514132061.db2.gz FYHYDXOWTPAORW-XLIONFOSSA-N 1 3 358.530 2.685 20 0 FFADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(O)(C[NH3+])CC1 ZINC000420404768 514135703 /nfs/dbraw/zinc/13/57/03/514135703.db2.gz NTSGDBBRSKQAAI-MRXNPFEDSA-N 1 3 353.466 2.786 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000417050806 514142153 /nfs/dbraw/zinc/14/21/53/514142153.db2.gz XYQLIWWUXLRZDC-YSIASYRMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000417050806 514142160 /nfs/dbraw/zinc/14/21/60/514142160.db2.gz XYQLIWWUXLRZDC-YSIASYRMSA-N 1 3 358.530 2.777 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccc(C(C)(C)C)cc2)(N2CCOCC2)CC1 ZINC000414485075 514144701 /nfs/dbraw/zinc/14/47/01/514144701.db2.gz OSQCPYNIMDVGLF-UHFFFAOYSA-N 1 3 359.558 2.870 20 0 FFADHO C[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444176567 514145253 /nfs/dbraw/zinc/14/52/53/514145253.db2.gz PYVOPOOSGPFENK-BRWVUGGUSA-N 1 3 359.514 2.843 20 0 FFADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2N[C@H](CCC[NH3+])c1ccccc1 ZINC000423512783 514157624 /nfs/dbraw/zinc/15/76/24/514157624.db2.gz PDSWMUYLTRFQMS-WOJBJXKFSA-N 1 3 373.522 2.781 20 0 FFADHO COc1cc(C)ccc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000449316983 514161495 /nfs/dbraw/zinc/16/14/95/514161495.db2.gz AUHOSNDMAQDRLM-UHFFFAOYSA-N 1 3 373.541 2.818 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1c[nH]c2nccnc12 ZINC000414528324 514164222 /nfs/dbraw/zinc/16/42/22/514164222.db2.gz OIEXRJALTSCIQG-RTBURBONSA-N 1 3 365.481 2.536 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1c[nH]c2nccnc12 ZINC000414528324 514164225 /nfs/dbraw/zinc/16/42/25/514164225.db2.gz OIEXRJALTSCIQG-RTBURBONSA-N 1 3 365.481 2.536 20 0 FFADHO OC1(CNCc2cc(C(F)(F)F)n[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000414529267 514165400 /nfs/dbraw/zinc/16/54/00/514165400.db2.gz VHSVQWKCFIMNDO-UHFFFAOYSA-N 1 3 368.403 2.545 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000427269991 514168076 /nfs/dbraw/zinc/16/80/76/514168076.db2.gz PIEZADIVABRGNZ-SFHVURJKSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000427270318 514168240 /nfs/dbraw/zinc/16/82/40/514168240.db2.gz SNMQWPRPHBLHNW-WSTZPKSXSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](CC)CC ZINC000427291788 514173444 /nfs/dbraw/zinc/17/34/44/514173444.db2.gz JWUAEEPDYPFCLS-NSHGMRRFSA-N 1 3 367.578 2.845 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417177097 514211906 /nfs/dbraw/zinc/21/19/06/514211906.db2.gz CPMINVHNVKCLKJ-FQEVSTJZSA-N 1 3 360.546 2.710 20 0 FFADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(C)(C)N)CC1 ZINC000423749278 514217410 /nfs/dbraw/zinc/21/74/10/514217410.db2.gz RKXSAICMELZJLX-UHFFFAOYSA-N 1 3 357.420 2.866 20 0 FFADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(C)(C)N)CC1 ZINC000423749278 514217416 /nfs/dbraw/zinc/21/74/16/514217416.db2.gz RKXSAICMELZJLX-UHFFFAOYSA-N 1 3 357.420 2.866 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000437770781 514231769 /nfs/dbraw/zinc/23/17/69/514231769.db2.gz GNBRIBGDDPJGRJ-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000437770781 514231775 /nfs/dbraw/zinc/23/17/75/514231775.db2.gz GNBRIBGDDPJGRJ-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO NC[C@@H](NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000449505954 514232326 /nfs/dbraw/zinc/23/23/26/514232326.db2.gz ZTVMLZUNDZIVTQ-FYYLOGMGSA-N 1 3 359.473 2.887 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000417219140 514238964 /nfs/dbraw/zinc/23/89/64/514238964.db2.gz IHEPPXYPFYEKHH-UIFIKXQLSA-N 1 3 370.541 2.996 20 0 FFADHO Cc1ccc(CCC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414685277 514242654 /nfs/dbraw/zinc/24/26/54/514242654.db2.gz YTRLWDWWHFMSNV-NRFANRHFSA-N 1 3 357.542 2.837 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCc2ccccc2F)C2CCCC2)C1 ZINC000414692327 514245447 /nfs/dbraw/zinc/24/54/47/514245447.db2.gz AVZMWDUHWCXXOV-KRWDZBQOSA-N 1 3 361.505 2.810 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccccc2F)C2CCCC2)C1 ZINC000414692327 514245453 /nfs/dbraw/zinc/24/54/53/514245453.db2.gz AVZMWDUHWCXXOV-KRWDZBQOSA-N 1 3 361.505 2.810 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)C1 ZINC000414700236 514248414 /nfs/dbraw/zinc/24/84/14/514248414.db2.gz FXDQKMLMQMWDRX-NHCUHLMSSA-N 1 3 357.542 2.919 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)C1 ZINC000414700236 514248422 /nfs/dbraw/zinc/24/84/22/514248422.db2.gz FXDQKMLMQMWDRX-NHCUHLMSSA-N 1 3 357.542 2.919 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417298746 514281731 /nfs/dbraw/zinc/28/17/31/514281731.db2.gz QITFKLYDSOURFG-INIZCTEOSA-N 1 3 372.435 2.607 20 0 FFADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC(F)F ZINC000414777431 514287152 /nfs/dbraw/zinc/28/71/52/514287152.db2.gz FLBZRUIZWBYNIT-PBHICJAKSA-N 1 3 356.413 2.625 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000420774171 514289756 /nfs/dbraw/zinc/28/97/56/514289756.db2.gz BZRLLMXLSONGEJ-HXUWFJFHSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)N(C)C)cc1 ZINC000417317166 514291660 /nfs/dbraw/zinc/29/16/60/514291660.db2.gz VXBORGITKJNPOJ-WOJBJXKFSA-N 1 3 358.530 2.629 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000420779551 514293445 /nfs/dbraw/zinc/29/34/45/514293445.db2.gz MIRKBRJUUGUDDS-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000414789911 514294866 /nfs/dbraw/zinc/29/48/66/514294866.db2.gz PBPQPYPHRRHVBZ-MRXNPFEDSA-N 1 3 370.444 2.526 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000420793944 514301827 /nfs/dbraw/zinc/30/18/27/514301827.db2.gz JWDKXISGZZDIKG-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccsc1 ZINC000420793944 514301833 /nfs/dbraw/zinc/30/18/33/514301833.db2.gz JWDKXISGZZDIKG-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000417354531 514307477 /nfs/dbraw/zinc/30/74/77/514307477.db2.gz MBXMZSAOZMDTFA-AABGKKOBSA-N 1 3 356.514 2.668 20 0 FFADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CCCC1 ZINC000417365229 514314706 /nfs/dbraw/zinc/31/47/06/514314706.db2.gz LUXNVLPNKSCHDH-YJBOKZPZSA-N 1 3 364.559 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000420813554 514314702 /nfs/dbraw/zinc/31/47/02/514314702.db2.gz VRPHUNIYSKANTA-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000420813554 514314709 /nfs/dbraw/zinc/31/47/09/514314709.db2.gz VRPHUNIYSKANTA-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423984813 514322569 /nfs/dbraw/zinc/32/25/69/514322569.db2.gz WOQJXHWMSBDPPQ-NHCUHLMSSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420827817 514323397 /nfs/dbraw/zinc/32/33/97/514323397.db2.gz SQNXPVLLRMEFAJ-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420827817 514323405 /nfs/dbraw/zinc/32/34/05/514323405.db2.gz SQNXPVLLRMEFAJ-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO c1ccc(CCN2CCC([NH2+]CCCNCc3cccnc3)CC2)cc1 ZINC000414876122 514336341 /nfs/dbraw/zinc/33/63/41/514336341.db2.gz JYKXJFRCBCJYHJ-UHFFFAOYSA-N 1 3 352.526 2.858 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN[C@H](C)[C@@H]3C)c2)CC1 ZINC000417473117 514370393 /nfs/dbraw/zinc/37/03/93/514370393.db2.gz YKYSGRIGFWQACN-MSOLQXFVSA-N 1 3 358.530 2.810 20 0 FFADHO COC[C@]1(C[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CCCN1 ZINC000414960003 514377019 /nfs/dbraw/zinc/37/70/19/514377019.db2.gz SUMXWMYHJIEXFQ-MLGOLLRUSA-N 1 3 359.283 2.877 20 0 FFADHO Cc1nc2ccc(CNC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cc2s1 ZINC000414967742 514379875 /nfs/dbraw/zinc/37/98/75/514379875.db2.gz HIPTUAJMJRFIDZ-OAHLLOKOSA-N 1 3 358.433 2.530 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415063559 514423877 /nfs/dbraw/zinc/42/38/77/514423877.db2.gz AFULIGQIJOWEKZ-WMZOPIPTSA-N 1 3 362.543 2.527 20 0 FFADHO COCCCOc1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415101330 514444297 /nfs/dbraw/zinc/44/42/97/514444297.db2.gz BCRHGUHMJAMXAU-LEWJYISDSA-N 1 3 362.514 2.820 20 0 FFADHO CC(C)C[C@H](N)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000415118183 514451101 /nfs/dbraw/zinc/45/11/01/514451101.db2.gz WBWFGIXJKGLABH-FUHIMQAGSA-N 1 3 355.486 2.859 20 0 FFADHO CC(C)C[C@H](N)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000415118183 514451106 /nfs/dbraw/zinc/45/11/06/514451106.db2.gz WBWFGIXJKGLABH-FUHIMQAGSA-N 1 3 355.486 2.859 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000415121004 514453012 /nfs/dbraw/zinc/45/30/12/514453012.db2.gz YQGAGSXZBGQIRN-CQSZACIVSA-N 1 3 369.431 2.524 20 0 FFADHO Cc1cc(CN2CCC(O)(C[NH3+])CC2)cc(C)c1OCc1ccccn1 ZINC000415138049 514463378 /nfs/dbraw/zinc/46/33/78/514463378.db2.gz GGWKLFUYNULYNF-UHFFFAOYSA-N 1 3 355.482 2.563 20 0 FFADHO CC(C)(C)c1nn(Cc2ccccc2)cc1CN1CCC(O)(C[NH3+])CC1 ZINC000415145185 514468629 /nfs/dbraw/zinc/46/86/29/514468629.db2.gz VZDVMLIDDQOWGY-UHFFFAOYSA-N 1 3 356.514 2.515 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000439095264 514492198 /nfs/dbraw/zinc/49/21/98/514492198.db2.gz KBBPIDFPXGEKKX-YYWHXJBOSA-N 1 3 373.541 2.731 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000433569603 514516571 /nfs/dbraw/zinc/51/65/71/514516571.db2.gz RWBITRPZSNQMDD-PZJWPPBQSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000433569603 514516578 /nfs/dbraw/zinc/51/65/78/514516578.db2.gz RWBITRPZSNQMDD-PZJWPPBQSA-N 1 3 370.541 2.967 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000465939679 514525620 /nfs/dbraw/zinc/52/56/20/514525620.db2.gz XLWSVSOMEKNKDV-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000439356569 514537366 /nfs/dbraw/zinc/53/73/66/514537366.db2.gz VDKKWQOKYLAJAH-LSDHHAIUSA-N 1 3 366.472 2.775 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)Cc3cnccn3)CC2)cc1 ZINC000453076998 514537539 /nfs/dbraw/zinc/53/75/39/514537539.db2.gz ADWSCCWXRJOMOC-QGZVFWFLSA-N 1 3 354.498 2.918 20 0 FFADHO C[C@@H](CCCc1cccnc1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000453078682 514537606 /nfs/dbraw/zinc/53/76/06/514537606.db2.gz CAWPJIAGBABMAN-FQEVSTJZSA-N 1 3 367.541 2.990 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000455475861 514545360 /nfs/dbraw/zinc/54/53/60/514545360.db2.gz NMKQQKKBXDRNSL-NTHMGXEOSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455475861 514545370 /nfs/dbraw/zinc/54/53/70/514545370.db2.gz NMKQQKKBXDRNSL-NTHMGXEOSA-N 1 3 356.514 2.746 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)c(C)c2)CC1 ZINC000466047047 514548172 /nfs/dbraw/zinc/54/81/72/514548172.db2.gz YTTRXYLVRFYPFZ-MSOLQXFVSA-N 1 3 373.545 2.741 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c2)CC1 ZINC000466047047 514548177 /nfs/dbraw/zinc/54/81/77/514548177.db2.gz YTTRXYLVRFYPFZ-MSOLQXFVSA-N 1 3 373.545 2.741 20 0 FFADHO C[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)c2sccc21 ZINC000453116118 514549808 /nfs/dbraw/zinc/54/98/08/514549808.db2.gz HYFISMRDYAKANQ-FUHWJXTLSA-N 1 3 351.560 2.666 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475142272 514571160 /nfs/dbraw/zinc/57/11/60/514571160.db2.gz BHKPLWRYHRSNHF-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000453374637 514614271 /nfs/dbraw/zinc/61/42/71/514614271.db2.gz ZRLTZPKVLQKNOW-YRISNDGFSA-N 1 3 372.513 2.931 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000466440918 514647327 /nfs/dbraw/zinc/64/73/27/514647327.db2.gz KHWQEOQJTIKJLK-DYESRHJHSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000466446763 514648334 /nfs/dbraw/zinc/64/83/34/514648334.db2.gz SLKAEGCXNHQCFN-LAUBAEHRSA-N 1 3 370.541 2.954 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470892726 514661063 /nfs/dbraw/zinc/66/10/63/514661063.db2.gz UGCRSQVOAAQKMS-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470892726 514661074 /nfs/dbraw/zinc/66/10/74/514661074.db2.gz UGCRSQVOAAQKMS-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000461656588 514685007 /nfs/dbraw/zinc/68/50/07/514685007.db2.gz BLTOJEBJZSTTII-HLIPFELVSA-N 1 3 374.529 2.566 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000461656588 514685015 /nfs/dbraw/zinc/68/50/15/514685015.db2.gz BLTOJEBJZSTTII-HLIPFELVSA-N 1 3 374.529 2.566 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000466553002 514688687 /nfs/dbraw/zinc/68/86/87/514688687.db2.gz RFHAKIFKPAPQQI-SGLNWRHMSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466553002 514688693 /nfs/dbraw/zinc/68/86/93/514688693.db2.gz RFHAKIFKPAPQQI-SGLNWRHMSA-N 1 3 370.541 2.679 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000458350384 514724636 /nfs/dbraw/zinc/72/46/36/514724636.db2.gz RONMEXWAXDXJDP-UHFFFAOYSA-N 1 3 352.548 2.696 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000458350384 514724645 /nfs/dbraw/zinc/72/46/45/514724645.db2.gz RONMEXWAXDXJDP-UHFFFAOYSA-N 1 3 352.548 2.696 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000479798373 514728904 /nfs/dbraw/zinc/72/89/04/514728904.db2.gz XGYJHGHJZGJLJB-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)[C@H]2C1 ZINC000498130769 514772366 /nfs/dbraw/zinc/77/23/66/514772366.db2.gz HKSZSWMAPYHXFJ-OALUTQOASA-N 1 3 362.562 2.911 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502849187 514809073 /nfs/dbraw/zinc/80/90/73/514809073.db2.gz WZBOUNBLIKCCPP-KDURUIRLSA-N 1 3 354.583 2.974 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000502849187 514809086 /nfs/dbraw/zinc/80/90/86/514809086.db2.gz WZBOUNBLIKCCPP-KDURUIRLSA-N 1 3 354.583 2.974 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccc(C)cc2)CC1 ZINC000466918260 514826568 /nfs/dbraw/zinc/82/65/68/514826568.db2.gz XVOVWHOFKFRSEC-QFIPXVFZSA-N 1 3 367.537 2.830 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN1CCc2ccccc2C1 ZINC000471379309 514855987 /nfs/dbraw/zinc/85/59/87/514855987.db2.gz GRDVRLMYXBICMB-OTWHNJEPSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN1CCc2ccccc2C1 ZINC000471379309 514855994 /nfs/dbraw/zinc/85/59/94/514855994.db2.gz GRDVRLMYXBICMB-OTWHNJEPSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(CCCOc2cccc(I)c2)C1 ZINC000484962818 514856286 /nfs/dbraw/zinc/85/62/86/514856286.db2.gz MVXSXUWSEGBYST-QWHCGFSZSA-N 1 3 374.266 2.729 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000476055420 514899525 /nfs/dbraw/zinc/89/95/25/514899525.db2.gz WBXMOYHCUOSTBW-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000476055420 514899537 /nfs/dbraw/zinc/89/95/37/514899537.db2.gz WBXMOYHCUOSTBW-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489619156 514919417 /nfs/dbraw/zinc/91/94/17/514919417.db2.gz AFKZBWAKSRSBTP-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489619156 514919427 /nfs/dbraw/zinc/91/94/27/514919427.db2.gz AFKZBWAKSRSBTP-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCc1nnnn1-c1ccccc1 ZINC000503180836 514945165 /nfs/dbraw/zinc/94/51/65/514945165.db2.gz CZORRMHFOXNSES-IEBWSBKVSA-N 1 3 356.518 2.695 20 0 FFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000503180836 514945176 /nfs/dbraw/zinc/94/51/76/514945176.db2.gz CZORRMHFOXNSES-IEBWSBKVSA-N 1 3 356.518 2.695 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCC(F)(F)CC1 ZINC000508967856 514969858 /nfs/dbraw/zinc/96/98/58/514969858.db2.gz JWDSSLUMOZXUSH-KRWDZBQOSA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCC(F)(F)CC1 ZINC000508967856 514969867 /nfs/dbraw/zinc/96/98/67/514969867.db2.gz JWDSSLUMOZXUSH-KRWDZBQOSA-N 1 3 374.520 2.869 20 0 FFADHO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000509050628 515002308 /nfs/dbraw/zinc/00/23/08/515002308.db2.gz WNIPXVUEEJAKQM-WMZOPIPTSA-N 1 3 352.498 2.666 20 0 FFADHO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000489957976 515046236 /nfs/dbraw/zinc/04/62/36/515046236.db2.gz QMUAWBMNZKSBRN-OKYOBFRVSA-N 1 3 361.555 2.639 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000503477954 515047852 /nfs/dbraw/zinc/04/78/52/515047852.db2.gz FLBATLUTZIVPRW-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)Cc1ccccc1 ZINC000485459949 515049683 /nfs/dbraw/zinc/04/96/83/515049683.db2.gz BMHDSDCMIGNKSZ-OAQYLSRUSA-N 1 3 372.557 2.819 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000476464486 515057762 /nfs/dbraw/zinc/05/77/62/515057762.db2.gz VXAWUBQHXIHQBZ-FQEVSTJZSA-N 1 3 358.530 2.907 20 0 FFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCCN3C3CCOCC3)ccc21 ZINC000456275937 515065121 /nfs/dbraw/zinc/06/51/21/515065121.db2.gz NKNOBPUWWWFPSQ-WOJBJXKFSA-N 1 3 357.498 2.817 20 0 FFADHO Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000490027486 515073879 /nfs/dbraw/zinc/07/38/79/515073879.db2.gz AUCVTADIPPCEKJ-IEBWSBKVSA-N 1 3 355.526 2.916 20 0 FFADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000509396612 515156385 /nfs/dbraw/zinc/15/63/85/515156385.db2.gz LDYONIJGVPVNLV-PBHICJAKSA-N 1 3 357.420 2.507 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000458876175 515164287 /nfs/dbraw/zinc/16/42/87/515164287.db2.gz ADLILIOWFMHSSO-FUHWJXTLSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000485835444 515210922 /nfs/dbraw/zinc/21/09/22/515210922.db2.gz RRGCUMZOEHEXBK-WMZOPIPTSA-N 1 3 365.543 2.704 20 0 FFADHO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000485835444 515210932 /nfs/dbraw/zinc/21/09/32/515210932.db2.gz RRGCUMZOEHEXBK-WMZOPIPTSA-N 1 3 365.543 2.704 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458940955 515217489 /nfs/dbraw/zinc/21/74/89/515217489.db2.gz SBEKMSFAKWGNNV-ROUUACIJSA-N 1 3 350.551 2.623 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000499197515 515234445 /nfs/dbraw/zinc/23/44/45/515234445.db2.gz TXIAORPPKKRTEI-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000499197515 515234454 /nfs/dbraw/zinc/23/44/54/515234454.db2.gz TXIAORPPKKRTEI-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccco1 ZINC000509577338 515240753 /nfs/dbraw/zinc/24/07/53/515240753.db2.gz LYKZBNXDXXJSNN-WMZOPIPTSA-N 1 3 362.518 2.979 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccco1 ZINC000509609217 515255819 /nfs/dbraw/zinc/25/58/19/515255819.db2.gz GBQJEIYNFHPOQY-OKZBNKHCSA-N 1 3 362.518 2.836 20 0 FFADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000472566740 515315314 /nfs/dbraw/zinc/31/53/14/515315314.db2.gz RSBPCEPRCNCRSV-HOTGVXAUSA-N 1 3 363.468 2.984 20 0 FFADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000472566740 515315320 /nfs/dbraw/zinc/31/53/20/515315320.db2.gz RSBPCEPRCNCRSV-HOTGVXAUSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000454267838 515352167 /nfs/dbraw/zinc/35/21/67/515352167.db2.gz JVIXFOUBOVLFKI-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000454267838 515352177 /nfs/dbraw/zinc/35/21/77/515352177.db2.gz JVIXFOUBOVLFKI-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000477219491 515374037 /nfs/dbraw/zinc/37/40/37/515374037.db2.gz HENZPKDMUPGXRZ-HBGVWJBISA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000477219491 515374043 /nfs/dbraw/zinc/37/40/43/515374043.db2.gz HENZPKDMUPGXRZ-HBGVWJBISA-N 1 3 370.541 2.679 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)c3ccccc3CN(C)C)CCCC2)CC1 ZINC000486226461 515389731 /nfs/dbraw/zinc/38/97/31/515389731.db2.gz AOLHLJJNGWQICX-UHFFFAOYSA-N 1 3 373.541 2.902 20 0 FFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491186417 515393130 /nfs/dbraw/zinc/39/31/30/515393130.db2.gz MFBMDTHBXBMJEC-XLIONFOSSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491186417 515393137 /nfs/dbraw/zinc/39/31/37/515393137.db2.gz MFBMDTHBXBMJEC-XLIONFOSSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504889283 515402697 /nfs/dbraw/zinc/40/26/97/515402697.db2.gz OHIOROJGBOYCLO-FQEVSTJZSA-N 1 3 360.546 2.880 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504901895 515406067 /nfs/dbraw/zinc/40/60/67/515406067.db2.gz ILZBTPKXSNUDRM-HSALFYBXSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504901895 515406077 /nfs/dbraw/zinc/40/60/77/515406077.db2.gz ILZBTPKXSNUDRM-HSALFYBXSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000459329549 515474342 /nfs/dbraw/zinc/47/43/42/515474342.db2.gz YXUJJVZUVIRJQZ-YJBOKZPZSA-N 1 3 366.937 2.974 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000459329549 515474351 /nfs/dbraw/zinc/47/43/51/515474351.db2.gz YXUJJVZUVIRJQZ-YJBOKZPZSA-N 1 3 366.937 2.974 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000486431733 515481776 /nfs/dbraw/zinc/48/17/76/515481776.db2.gz JCMJZWOBAHUKTH-UHFFFAOYSA-N 1 3 351.494 2.577 20 0 FFADHO CC[C@@H]1CCC[C@@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454463052 515506855 /nfs/dbraw/zinc/50/68/55/515506855.db2.gz UPKMAQYNZUSIOR-IAGOWNOFSA-N 1 3 350.551 2.671 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)CCc4ccccc4C3)CC2)CC1 ZINC000463620040 515561455 /nfs/dbraw/zinc/56/14/55/515561455.db2.gz DNVUKDWFYAACOD-HSZRJFAPSA-N 1 3 369.553 2.856 20 0 FFADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000500134891 515603926 /nfs/dbraw/zinc/60/39/26/515603926.db2.gz TVAKBIBEXRQUGR-ZCNNSNEGSA-N 1 3 351.579 2.928 20 0 FFADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000500134891 515603935 /nfs/dbraw/zinc/60/39/35/515603935.db2.gz TVAKBIBEXRQUGR-ZCNNSNEGSA-N 1 3 351.579 2.928 20 0 FFADHO Cc1ccc(CN2CC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2=O)cc1 ZINC000459515517 515612520 /nfs/dbraw/zinc/61/25/20/515612520.db2.gz HOBMGKXYQLSWCM-NRFANRHFSA-N 1 3 364.493 2.750 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000505689575 515635111 /nfs/dbraw/zinc/63/51/11/515635111.db2.gz XVEJTIVTWPYRKF-KNQAVFIVSA-N 1 3 373.516 2.982 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000505689575 515635117 /nfs/dbraw/zinc/63/51/17/515635117.db2.gz XVEJTIVTWPYRKF-KNQAVFIVSA-N 1 3 373.516 2.982 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(OC)c1 ZINC000505755223 515658501 /nfs/dbraw/zinc/65/85/01/515658501.db2.gz QYJLYRGEMJPKQH-IEBWSBKVSA-N 1 3 361.530 2.673 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(OC)c1 ZINC000505755223 515658509 /nfs/dbraw/zinc/65/85/09/515658509.db2.gz QYJLYRGEMJPKQH-IEBWSBKVSA-N 1 3 361.530 2.673 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000457124337 515669364 /nfs/dbraw/zinc/66/93/64/515669364.db2.gz PQYOSIBLWNEWMI-QUCCMNQESA-N 1 3 361.505 2.979 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000457124337 515669371 /nfs/dbraw/zinc/66/93/71/515669371.db2.gz PQYOSIBLWNEWMI-QUCCMNQESA-N 1 3 361.505 2.979 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)CC1 ZINC000482522027 515705123 /nfs/dbraw/zinc/70/51/23/515705123.db2.gz FMPUBAVOIQMRQK-GOSISDBHSA-N 1 3 372.557 2.565 20 0 FFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000469254338 515742159 /nfs/dbraw/zinc/74/21/59/515742159.db2.gz DVHODHHIDXNIHZ-PMACEKPBSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000469254315 515742491 /nfs/dbraw/zinc/74/24/91/515742491.db2.gz DVHODHHIDXNIHZ-BGYRXZFFSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000469254315 515742496 /nfs/dbraw/zinc/74/24/96/515742496.db2.gz DVHODHHIDXNIHZ-BGYRXZFFSA-N 1 3 372.557 2.578 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506022639 515753266 /nfs/dbraw/zinc/75/32/66/515753266.db2.gz VWZMVHJFEJUSBK-SFHVURJKSA-N 1 3 365.468 2.746 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)c1 ZINC000469292769 515757800 /nfs/dbraw/zinc/75/78/00/515757800.db2.gz VXQCXNCVWZMXBC-FQEVSTJZSA-N 1 3 374.573 2.600 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454813182 515760793 /nfs/dbraw/zinc/76/07/93/515760793.db2.gz WVWZMRGYYUNCER-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454813182 515760801 /nfs/dbraw/zinc/76/08/01/515760801.db2.gz WVWZMRGYYUNCER-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1F ZINC000478411826 515811235 /nfs/dbraw/zinc/81/12/35/515811235.db2.gz NMETXUKTFPPXQP-HNNXBMFYSA-N 1 3 357.901 2.520 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCN(C)C1CC1 ZINC000473962619 515823442 /nfs/dbraw/zinc/82/34/42/515823442.db2.gz YQJNRKNOOKZNPH-IAGOWNOFSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C ZINC000506243357 515824898 /nfs/dbraw/zinc/82/48/98/515824898.db2.gz KLOCMZSCXNRZCH-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000469489225 515836320 /nfs/dbraw/zinc/83/63/20/515836320.db2.gz DBYPWSRTSTXNKO-UHFFFAOYSA-N 1 3 369.509 2.661 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454967049 515863258 /nfs/dbraw/zinc/86/32/58/515863258.db2.gz WBODFWIZWSIPBF-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454967049 515863271 /nfs/dbraw/zinc/86/32/71/515863271.db2.gz WBODFWIZWSIPBF-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C(C)C)C2CCCC2)[C@H](C)C1 ZINC000469771359 515960301 /nfs/dbraw/zinc/96/03/01/515960301.db2.gz ZVNKUMSKHDMDPH-QUCCMNQESA-N 1 3 367.578 2.893 20 0 FFADHO C[NH2+]CCC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000469852288 515995419 /nfs/dbraw/zinc/99/54/19/515995419.db2.gz GFBNAANTTJHQMJ-UHFFFAOYSA-N 1 3 356.470 2.669 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487834621 515998284 /nfs/dbraw/zinc/99/82/84/515998284.db2.gz IMGFGWUONZHXHQ-LCLWPZTBSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487834621 515998290 /nfs/dbraw/zinc/99/82/90/515998290.db2.gz IMGFGWUONZHXHQ-LCLWPZTBSA-N 1 3 370.541 2.821 20 0 FFADHO CC[NH+](CC)CC1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000506878403 516010620 /nfs/dbraw/zinc/01/06/20/516010620.db2.gz YTQILSRKOIYWKV-UHFFFAOYSA-N 1 3 361.530 2.707 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000501328276 516064099 /nfs/dbraw/zinc/06/40/99/516064099.db2.gz CXQDNOZVUXDNAS-RXVVDRJESA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000501328276 516064109 /nfs/dbraw/zinc/06/41/09/516064109.db2.gz CXQDNOZVUXDNAS-RXVVDRJESA-N 1 3 372.557 2.997 20 0 FFADHO Cc1nc(COc2ccc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)no1 ZINC000470000917 516071391 /nfs/dbraw/zinc/07/13/91/516071391.db2.gz VNWXLZRMKUPENS-IBGZPJMESA-N 1 3 356.470 2.921 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCN(C)CC[C@H]1C ZINC000474515938 516077628 /nfs/dbraw/zinc/07/76/28/516077628.db2.gz OOMQSGXJBNUFRK-GUDVDZBRSA-N 1 3 372.557 2.879 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000511918706 516080016 /nfs/dbraw/zinc/08/00/16/516080016.db2.gz HRAGDJMHNVQAAJ-INIZCTEOSA-N 1 3 352.548 2.696 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000511918706 516080026 /nfs/dbraw/zinc/08/00/26/516080026.db2.gz HRAGDJMHNVQAAJ-INIZCTEOSA-N 1 3 352.548 2.696 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457699757 516080313 /nfs/dbraw/zinc/08/03/13/516080313.db2.gz WZZHBSXOYBYKFB-SJORKVTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[N@H+]1CCC[C@@H](C)C1 ZINC000457699757 516080323 /nfs/dbraw/zinc/08/03/23/516080323.db2.gz WZZHBSXOYBYKFB-SJORKVTESA-N 1 3 366.575 2.942 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000474533114 516084780 /nfs/dbraw/zinc/08/47/80/516084780.db2.gz HIRKHDSOTMXNLP-GUMHCPJTSA-N 1 3 356.514 2.748 20 0 FFADHO NC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000479192541 516098609 /nfs/dbraw/zinc/09/86/09/516098609.db2.gz UPWPLRZPVRLROH-FQEVSTJZSA-N 1 3 355.457 2.780 20 0 FFADHO CN1CCC[C@@H](CNC(=O)c2csc(CC[NH3+])n2)[C@H]1c1cccs1 ZINC000479197326 516102995 /nfs/dbraw/zinc/10/29/95/516102995.db2.gz UIEAKFISYJCVGB-LRDDRELGSA-N 1 3 364.540 2.519 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc(F)cc1 ZINC000479228154 516117537 /nfs/dbraw/zinc/11/75/37/516117537.db2.gz QMVXWWKEZRESHQ-UXHICEINSA-N 1 3 355.457 2.649 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000455327981 516122649 /nfs/dbraw/zinc/12/26/49/516122649.db2.gz IHWKAURUYVFULP-VQTJNVASSA-N 1 3 370.541 2.967 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000455327981 516122658 /nfs/dbraw/zinc/12/26/58/516122658.db2.gz IHWKAURUYVFULP-VQTJNVASSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000479268921 516131620 /nfs/dbraw/zinc/13/16/20/516131620.db2.gz ANLHMSDNBHLNFS-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000479268921 516131629 /nfs/dbraw/zinc/13/16/29/516131629.db2.gz ANLHMSDNBHLNFS-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474648233 516138598 /nfs/dbraw/zinc/13/85/98/516138598.db2.gz BBGGGBBBBGETHR-QHGAOEGBSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488172500 516143381 /nfs/dbraw/zinc/14/33/81/516143381.db2.gz BJTCFTHUCNKKCI-QKNQBKEWSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488172500 516143392 /nfs/dbraw/zinc/14/33/92/516143392.db2.gz BJTCFTHUCNKKCI-QKNQBKEWSA-N 1 3 372.557 2.880 20 0 FFADHO COC(=O)[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1C ZINC000470156318 516150163 /nfs/dbraw/zinc/15/01/63/516150163.db2.gz MPKYPZQKXXMWIS-LPHOPBHVSA-N 1 3 359.514 2.600 20 0 FFADHO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)[C@H]1C ZINC000470156318 516150169 /nfs/dbraw/zinc/15/01/69/516150169.db2.gz MPKYPZQKXXMWIS-LPHOPBHVSA-N 1 3 359.514 2.600 20 0 FFADHO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)[C@H]1C ZINC000470156318 516150177 /nfs/dbraw/zinc/15/01/77/516150177.db2.gz MPKYPZQKXXMWIS-LPHOPBHVSA-N 1 3 359.514 2.600 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000465431091 516152063 /nfs/dbraw/zinc/15/20/63/516152063.db2.gz RRXQWQWREJJAGI-UXHICEINSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000465431091 516152070 /nfs/dbraw/zinc/15/20/70/516152070.db2.gz RRXQWQWREJJAGI-UXHICEINSA-N 1 3 360.546 2.533 20 0 FFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479335493 516154141 /nfs/dbraw/zinc/15/41/41/516154141.db2.gz LWBBQXXKMCGPTG-OAQYLSRUSA-N 1 3 367.541 2.865 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000488201860 516156110 /nfs/dbraw/zinc/15/61/10/516156110.db2.gz MYLMIRALCJQQTJ-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)[NH+](CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1)C(C)C ZINC000465457044 516158773 /nfs/dbraw/zinc/15/87/73/516158773.db2.gz KSCWVSQJHNGOOU-UHFFFAOYSA-N 1 3 360.546 2.504 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474724070 516171066 /nfs/dbraw/zinc/17/10/66/516171066.db2.gz ACBZCXTWSNORBF-ZWKOTPCHSA-N 1 3 367.965 2.812 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000465524985 516178045 /nfs/dbraw/zinc/17/80/45/516178045.db2.gz MZMXJWQOKOAUCT-VQTJNVASSA-N 1 3 360.546 2.723 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000507378522 516193988 /nfs/dbraw/zinc/19/39/88/516193988.db2.gz GBHJBBYXIHDROZ-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000507378522 516193993 /nfs/dbraw/zinc/19/39/93/516193993.db2.gz GBHJBBYXIHDROZ-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1 ZINC000470370652 516224741 /nfs/dbraw/zinc/22/47/41/516224741.db2.gz AYFCSJCKELQBND-OAQYLSRUSA-N 1 3 367.493 2.729 20 0 FFADHO COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1 ZINC000470370652 516224749 /nfs/dbraw/zinc/22/47/49/516224749.db2.gz AYFCSJCKELQBND-OAQYLSRUSA-N 1 3 367.493 2.729 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000465691349 516230042 /nfs/dbraw/zinc/23/00/42/516230042.db2.gz LTWGDWSGCVVJLO-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCCN1C ZINC000488538649 516253627 /nfs/dbraw/zinc/25/36/27/516253627.db2.gz SDXOYTXBVSHDSQ-QFUCXCTJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCCN1C ZINC000488538649 516253632 /nfs/dbraw/zinc/25/36/32/516253632.db2.gz SDXOYTXBVSHDSQ-QFUCXCTJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCC(C)CC1 ZINC000465814241 516264898 /nfs/dbraw/zinc/26/48/98/516264898.db2.gz MGAZFDFVJRKGCG-PKOBYXMFSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC(C)CC1 ZINC000465814241 516264906 /nfs/dbraw/zinc/26/49/06/516264906.db2.gz MGAZFDFVJRKGCG-PKOBYXMFSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCN1CC=C(C)CC1)[NH+](C)C ZINC000501940116 516269685 /nfs/dbraw/zinc/26/96/85/516269685.db2.gz QZLIXYPQUPGCAR-UYAOXDASSA-N 1 3 358.530 2.937 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1C ZINC000465869192 516274859 /nfs/dbraw/zinc/27/48/59/516274859.db2.gz FHGIUQIQLXPUBH-VZHSDHNVSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C ZINC000465869192 516274865 /nfs/dbraw/zinc/27/48/65/516274865.db2.gz FHGIUQIQLXPUBH-VZHSDHNVSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000502121824 516306473 /nfs/dbraw/zinc/30/64/73/516306473.db2.gz KDJQRRTYAITIFV-APWZRJJASA-N 1 3 364.509 2.992 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000507845714 516312919 /nfs/dbraw/zinc/31/29/19/516312919.db2.gz QUIAWGPKQCDCKX-SFHVURJKSA-N 1 3 361.505 2.886 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512666819 516319649 /nfs/dbraw/zinc/31/96/49/516319649.db2.gz MPHHCDUFGZTXHA-FDFHNCONSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512666819 516319651 /nfs/dbraw/zinc/31/96/51/516319651.db2.gz MPHHCDUFGZTXHA-FDFHNCONSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)CN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000512666819 516319653 /nfs/dbraw/zinc/31/96/53/516319653.db2.gz MPHHCDUFGZTXHA-FDFHNCONSA-N 1 3 371.569 2.988 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000517472918 516337866 /nfs/dbraw/zinc/33/78/66/516337866.db2.gz FKHLQIDYHGFRIZ-QGZVFWFLSA-N 1 3 364.559 2.601 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000517472918 516337873 /nfs/dbraw/zinc/33/78/73/516337873.db2.gz FKHLQIDYHGFRIZ-QGZVFWFLSA-N 1 3 364.559 2.601 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522924940 516352037 /nfs/dbraw/zinc/35/20/37/516352037.db2.gz VOCDTBWVNYRXAG-OAQYLSRUSA-N 1 3 366.509 2.672 20 0 FFADHO CN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC000557663845 516369134 /nfs/dbraw/zinc/36/91/34/516369134.db2.gz OINBQIFNNSNUKR-LEWJYISDSA-N 1 3 351.494 2.966 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000561198646 516446548 /nfs/dbraw/zinc/44/65/48/516446548.db2.gz BUBMGAHUFLFRTL-MJGOQNOKSA-N 1 3 358.530 2.586 20 0 FFADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531429619 516461171 /nfs/dbraw/zinc/46/11/71/516461171.db2.gz JGNKNPCULFKYHZ-HNAYVOBHSA-N 1 3 364.509 2.584 20 0 FFADHO CC[N@H+](CCC1CCN(CC2CCS(=O)(=O)CC2)CC1)CC(C)C ZINC000540197781 516469978 /nfs/dbraw/zinc/46/99/78/516469978.db2.gz MMDPSQCHNTXRDS-UHFFFAOYSA-N 1 3 358.592 2.891 20 0 FFADHO CC[N@@H+](CCC1CCN(CC2CCS(=O)(=O)CC2)CC1)CC(C)C ZINC000540197781 516469982 /nfs/dbraw/zinc/46/99/82/516469982.db2.gz MMDPSQCHNTXRDS-UHFFFAOYSA-N 1 3 358.592 2.891 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1)C1CC1 ZINC000517868586 516472516 /nfs/dbraw/zinc/47/25/16/516472516.db2.gz ZZZGJPCRJZMQIE-OAQYLSRUSA-N 1 3 373.541 2.854 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1)C1CC1 ZINC000517868586 516472524 /nfs/dbraw/zinc/47/25/24/516472524.db2.gz ZZZGJPCRJZMQIE-OAQYLSRUSA-N 1 3 373.541 2.854 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000561264980 516487219 /nfs/dbraw/zinc/48/72/19/516487219.db2.gz HCQADPQRMLXBKP-UHFFFAOYSA-N 1 3 361.530 2.965 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000523533781 516499288 /nfs/dbraw/zinc/49/92/88/516499288.db2.gz NAELJLSSAVXDEV-AZUAARDMSA-N 1 3 360.546 2.881 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000523533781 516499293 /nfs/dbraw/zinc/49/92/93/516499293.db2.gz NAELJLSSAVXDEV-AZUAARDMSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc2n[nH]cc2c1 ZINC000513201821 516518173 /nfs/dbraw/zinc/51/81/73/516518173.db2.gz RCEDJGWIASPZGJ-MGPUTAFESA-N 1 3 365.481 2.633 20 0 FFADHO C[C@@H]1C[C@@H](CC[NH2+][C@H](CS(C)(=O)=O)C2CC2)CN1Cc1ccccc1 ZINC000551087429 516557332 /nfs/dbraw/zinc/55/73/32/516557332.db2.gz QRIGRSJUUSLIQT-YVWKXTFCSA-N 1 3 364.555 2.700 20 0 FFADHO COc1cc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)ccc1SC ZINC000531959888 516732700 /nfs/dbraw/zinc/73/27/00/516732700.db2.gz NSXZDZSSVATOJW-GDBMZVCRSA-N 1 3 365.543 2.655 20 0 FFADHO C[C@]1(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCCN1Cc1ccccc1 ZINC000518735634 516756686 /nfs/dbraw/zinc/75/66/86/516756686.db2.gz PQIGBVLAHFXWCN-ITTUMRLJSA-N 1 3 370.541 2.810 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1c(C)noc1C ZINC000513820006 516768788 /nfs/dbraw/zinc/76/87/88/516768788.db2.gz IDEFEOXQVBRZHH-YJBOKZPZSA-N 1 3 364.534 2.660 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1c(C)noc1C ZINC000513820006 516768795 /nfs/dbraw/zinc/76/87/95/516768795.db2.gz IDEFEOXQVBRZHH-YJBOKZPZSA-N 1 3 364.534 2.660 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCN(C)c1ccncc1 ZINC000540927053 516775605 /nfs/dbraw/zinc/77/56/05/516775605.db2.gz ZHSBKYUCWGVKCW-WIYYLYMNSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCN(C)c1ccncc1 ZINC000540927053 516775614 /nfs/dbraw/zinc/77/56/14/516775614.db2.gz ZHSBKYUCWGVKCW-WIYYLYMNSA-N 1 3 366.509 2.935 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)c1 ZINC000524779949 516827352 /nfs/dbraw/zinc/82/73/52/516827352.db2.gz ZDTDVYLFEJWGDQ-HQRMLTQVSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)c1 ZINC000524779949 516827359 /nfs/dbraw/zinc/82/73/59/516827359.db2.gz ZDTDVYLFEJWGDQ-HQRMLTQVSA-N 1 3 374.529 2.614 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000518941700 516827889 /nfs/dbraw/zinc/82/78/89/516827889.db2.gz XLOUMFLRSIKXMY-SLFFLAALSA-N 1 3 370.541 2.728 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000544624112 516841302 /nfs/dbraw/zinc/84/13/02/516841302.db2.gz WVBKJTKUJCLSCT-APWZRJJASA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000514054803 516843046 /nfs/dbraw/zinc/84/30/46/516843046.db2.gz WIQNKWFEHFWWII-LMMKCTJWSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000514054803 516843053 /nfs/dbraw/zinc/84/30/53/516843053.db2.gz WIQNKWFEHFWWII-LMMKCTJWSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000514054805 516843145 /nfs/dbraw/zinc/84/31/45/516843145.db2.gz WIQNKWFEHFWWII-ZIFCJYIRSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000514054805 516843152 /nfs/dbraw/zinc/84/31/52/516843152.db2.gz WIQNKWFEHFWWII-ZIFCJYIRSA-N 1 3 356.514 2.605 20 0 FFADHO COc1ccc([C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C)cc1 ZINC000524935267 516871404 /nfs/dbraw/zinc/87/14/04/516871404.db2.gz ZMIWNHJRZSQIHE-IBGZPJMESA-N 1 3 364.534 2.527 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)[C@@H](C)C1 ZINC000532545154 517028866 /nfs/dbraw/zinc/02/88/66/517028866.db2.gz DEDFOSZEOHSAAU-SCTDSRPQSA-N 1 3 364.509 2.526 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)[C@@H](C)C1 ZINC000532545154 517028871 /nfs/dbraw/zinc/02/88/71/517028871.db2.gz DEDFOSZEOHSAAU-SCTDSRPQSA-N 1 3 364.509 2.526 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000525437611 517039798 /nfs/dbraw/zinc/03/97/98/517039798.db2.gz UQWMFBVEDNPXEG-LEWJYISDSA-N 1 3 374.573 2.923 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000555684295 517063678 /nfs/dbraw/zinc/06/36/78/517063678.db2.gz XSUNDRLPZPXCRS-RBUKOAKNSA-N 1 3 373.541 2.600 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000555684295 517063688 /nfs/dbraw/zinc/06/36/88/517063688.db2.gz XSUNDRLPZPXCRS-RBUKOAKNSA-N 1 3 373.541 2.600 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCN1Cc1ccccc1 ZINC000529319777 517076211 /nfs/dbraw/zinc/07/62/11/517076211.db2.gz IDFKTMPYZBACHE-UYAOXDASSA-N 1 3 356.514 2.625 20 0 FFADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CCCC(=O)OC)CC2)C1 ZINC000545205147 517102017 /nfs/dbraw/zinc/10/20/17/517102017.db2.gz FUGSRFRILHSAEJ-GOSISDBHSA-N 1 3 367.578 2.894 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000537305947 517138291 /nfs/dbraw/zinc/13/82/91/517138291.db2.gz AODVSZAKOJJHCC-CYBMUJFWSA-N 1 3 351.878 2.917 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000545302925 517161812 /nfs/dbraw/zinc/16/18/12/517161812.db2.gz MGIJOQBYZWJGKB-SJORKVTESA-N 1 3 357.498 2.915 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000548794022 517217513 /nfs/dbraw/zinc/21/75/13/517217513.db2.gz QQEQQEPYGLEVLV-HXUWFJFHSA-N 1 3 362.514 2.692 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1)CC1CC1 ZINC000537815891 517357398 /nfs/dbraw/zinc/35/73/98/517357398.db2.gz JDUMOLXCSURKGV-LJQANCHMSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1)CC1CC1 ZINC000537815891 517357405 /nfs/dbraw/zinc/35/74/05/517357405.db2.gz JDUMOLXCSURKGV-LJQANCHMSA-N 1 3 350.551 2.624 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC([C@H](C)[NH3+])CC3)c(C)c2)CC1 ZINC000562746550 517364765 /nfs/dbraw/zinc/36/47/65/517364765.db2.gz DWPZCRUKDREMGJ-KRWDZBQOSA-N 1 3 373.545 2.728 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000520374636 517366050 /nfs/dbraw/zinc/36/60/50/517366050.db2.gz PDFKRYGTWPGFJT-XFWGSAIBSA-N 1 3 356.514 2.509 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000520374634 517366382 /nfs/dbraw/zinc/36/63/82/517366382.db2.gz PDFKRYGTWPGFJT-JOCLIGHLSA-N 1 3 356.514 2.509 20 0 FFADHO CCN(CC)c1ncc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000562751824 517368862 /nfs/dbraw/zinc/36/88/62/517368862.db2.gz FTXCTFTVDRVCGL-WBVHZDCISA-N 1 3 352.548 2.708 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])N(C)C)cc1 ZINC000520404272 517382398 /nfs/dbraw/zinc/38/23/98/517382398.db2.gz YTWQTRKZYKZCAS-RTWAWAEBSA-N 1 3 366.509 2.865 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000562795240 517408106 /nfs/dbraw/zinc/40/81/06/517408106.db2.gz GWOZNYUOYMIPAX-YLFCFFPRSA-N 1 3 362.543 2.572 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562806187 517419901 /nfs/dbraw/zinc/41/99/01/517419901.db2.gz PWMBPCFTYBWKAI-UNMCSNQZSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)N(C)C)cc1 ZINC000520581179 517444541 /nfs/dbraw/zinc/44/45/41/517444541.db2.gz JVLZGWBZWDUFHJ-VQTJNVASSA-N 1 3 358.530 2.868 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000515730953 517459948 /nfs/dbraw/zinc/45/99/48/517459948.db2.gz PAAJNLJQJWKVJD-NRFANRHFSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000515830569 517488412 /nfs/dbraw/zinc/48/84/12/517488412.db2.gz FCNBPWSMSPTCLX-LJQANCHMSA-N 1 3 360.546 2.723 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(F)(F)C[C@H]3C)CC2)CC1 ZINC000530010839 517496664 /nfs/dbraw/zinc/49/66/64/517496664.db2.gz RZICMFUHZCPCDE-OAHLLOKOSA-N 1 3 357.489 2.829 20 0 FFADHO CC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000530021632 517502265 /nfs/dbraw/zinc/50/22/65/517502265.db2.gz BVTLVENTERMAFI-IBGZPJMESA-N 1 3 356.514 2.821 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCN1C ZINC000559972151 517510572 /nfs/dbraw/zinc/51/05/72/517510572.db2.gz GHIXCZRIKAJNQQ-BYNSBNAKSA-N 1 3 363.468 2.836 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCN1C ZINC000559972151 517510584 /nfs/dbraw/zinc/51/05/84/517510584.db2.gz GHIXCZRIKAJNQQ-BYNSBNAKSA-N 1 3 363.468 2.836 20 0 FFADHO CC(C)(CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000520924370 517553364 /nfs/dbraw/zinc/55/33/64/517553364.db2.gz LRVSEOJYHJARJQ-IBGZPJMESA-N 1 3 358.530 2.532 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553188808 517566250 /nfs/dbraw/zinc/56/62/50/517566250.db2.gz NBRWOBNAQQIDGC-LJQANCHMSA-N 1 3 355.482 2.692 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553188808 517566260 /nfs/dbraw/zinc/56/62/60/517566260.db2.gz NBRWOBNAQQIDGC-LJQANCHMSA-N 1 3 355.482 2.692 20 0 FFADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1CC1 ZINC000563010630 517581586 /nfs/dbraw/zinc/58/15/86/517581586.db2.gz HXDKPUCPZJHTBX-QRTARXTBSA-N 1 3 353.304 2.740 20 0 FFADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1CC1 ZINC000563010630 517581592 /nfs/dbraw/zinc/58/15/92/517581592.db2.gz HXDKPUCPZJHTBX-QRTARXTBSA-N 1 3 353.304 2.740 20 0 FFADHO C[C@@]1(CNC(=O)N2CCN3CCC2CC3)CCC[N@@H+]1Cc1ccccc1 ZINC000560109088 517585522 /nfs/dbraw/zinc/58/55/22/517585522.db2.gz NPPDSGPZCDILAJ-NRFANRHFSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@@]1(CNC(=O)N2CCN3CCC2CC3)CCC[N@H+]1Cc1ccccc1 ZINC000560109088 517585531 /nfs/dbraw/zinc/58/55/31/517585531.db2.gz NPPDSGPZCDILAJ-NRFANRHFSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@H](NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000516167177 517596353 /nfs/dbraw/zinc/59/63/53/517596353.db2.gz QWLRYUCVCKTZOU-MGPUTAFESA-N 1 3 352.482 2.789 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CNCc4ccccc43)C2)CC1 ZINC000563064601 517625301 /nfs/dbraw/zinc/62/53/01/517625301.db2.gz RORLPQSDLLUPJH-GHTZIAJQSA-N 1 3 355.526 2.844 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000542633930 517662283 /nfs/dbraw/zinc/66/22/83/517662283.db2.gz PXCSHUNFGJUOPF-MRXNPFEDSA-N 1 3 362.518 2.821 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000563155229 517697737 /nfs/dbraw/zinc/69/77/37/517697737.db2.gz OBJPRLWCUYZNIN-GOTSBHOMSA-N 1 3 368.521 2.968 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(CCc2ccc(O)cc2)CC1 ZINC000563155229 517697741 /nfs/dbraw/zinc/69/77/41/517697741.db2.gz OBJPRLWCUYZNIN-GOTSBHOMSA-N 1 3 368.521 2.968 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)[C@H]1c1ccccc1 ZINC000542770099 517728071 /nfs/dbraw/zinc/72/80/71/517728071.db2.gz MYLHOAHQRVODNH-RTBURBONSA-N 1 3 358.530 2.853 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCN(C)c3ccncc3)C2)CC1 ZINC000542786962 517742216 /nfs/dbraw/zinc/74/22/16/517742216.db2.gz NICCVUFCLHADAL-IBGZPJMESA-N 1 3 358.530 2.878 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC000516579301 517753014 /nfs/dbraw/zinc/75/30/14/517753014.db2.gz NUURVDOUNVGNAW-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)c1cccs1 ZINC000521653494 517814673 /nfs/dbraw/zinc/81/46/73/517814673.db2.gz SCCVHPWGYJZBOB-UHFFFAOYSA-N 1 3 357.523 2.775 20 0 FFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)c2)CCO1 ZINC000560527883 517874342 /nfs/dbraw/zinc/87/43/42/517874342.db2.gz GIJONSYDPZIORF-YCZSINBZSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)c2)CCO1 ZINC000560527883 517874352 /nfs/dbraw/zinc/87/43/52/517874352.db2.gz GIJONSYDPZIORF-YCZSINBZSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)c2)CCO1 ZINC000560527883 517874362 /nfs/dbraw/zinc/87/43/62/517874362.db2.gz GIJONSYDPZIORF-YCZSINBZSA-N 1 3 357.542 2.870 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000560533965 517878528 /nfs/dbraw/zinc/87/85/28/517878528.db2.gz PGWUXSYPZASNTD-KRWDZBQOSA-N 1 3 352.548 2.604 20 0 FFADHO c1cn(CCC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nn1 ZINC000560550565 517889262 /nfs/dbraw/zinc/88/92/62/517889262.db2.gz UDMQVJYMSPMCOC-PWRODBHTSA-N 1 3 353.514 2.949 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)C1 ZINC000553783319 517901811 /nfs/dbraw/zinc/90/18/11/517901811.db2.gz JIHFRZBQYJRJTK-LDNJSWSKSA-N 1 3 369.553 2.943 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)C1 ZINC000553783319 517901816 /nfs/dbraw/zinc/90/18/16/517901816.db2.gz JIHFRZBQYJRJTK-LDNJSWSKSA-N 1 3 369.553 2.943 20 0 FFADHO CCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000516925099 517920049 /nfs/dbraw/zinc/92/00/49/517920049.db2.gz GYIKWALTXADWEC-NRFANRHFSA-N 1 3 366.509 2.951 20 0 FFADHO NC[C@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000557223939 517925803 /nfs/dbraw/zinc/92/58/03/517925803.db2.gz OIIVNXXKWGTVAF-FPOVZHCZSA-N 1 3 352.482 2.625 20 0 FFADHO C[NH+](C)CC1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000543140041 517928546 /nfs/dbraw/zinc/92/85/46/517928546.db2.gz YTOKLGIXIKWCSK-HNNXBMFYSA-N 1 3 360.420 2.719 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527815512 517931910 /nfs/dbraw/zinc/93/19/10/517931910.db2.gz JXYKMGPORXMRSD-IEBWSBKVSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527815512 517931917 /nfs/dbraw/zinc/93/19/17/517931917.db2.gz JXYKMGPORXMRSD-IEBWSBKVSA-N 1 3 350.551 2.671 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000539372698 518014627 /nfs/dbraw/zinc/01/46/27/518014627.db2.gz BZNJKDUWKXLXCS-NRFANRHFSA-N 1 3 373.541 2.694 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000522176928 518019630 /nfs/dbraw/zinc/01/96/30/518019630.db2.gz FIDUFLOGPAEODJ-RTWAWAEBSA-N 1 3 372.557 2.920 20 0 FFADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCCCC1 ZINC000522217084 518035745 /nfs/dbraw/zinc/03/57/45/518035745.db2.gz HKBROCLBRJYLPH-LJQANCHMSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCCC[C@H]1C ZINC000517149052 518041043 /nfs/dbraw/zinc/04/10/43/518041043.db2.gz QPQUIFWICADXRR-CEXWTWQISA-N 1 3 350.551 2.909 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000530904396 518043318 /nfs/dbraw/zinc/04/33/18/518043318.db2.gz VUPMPJWXISRILY-ZDUSSCGKSA-N 1 3 358.438 2.802 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000530904396 518043330 /nfs/dbraw/zinc/04/33/30/518043330.db2.gz VUPMPJWXISRILY-ZDUSSCGKSA-N 1 3 358.438 2.802 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000530904396 518043337 /nfs/dbraw/zinc/04/33/37/518043337.db2.gz VUPMPJWXISRILY-ZDUSSCGKSA-N 1 3 358.438 2.802 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000530966618 518074011 /nfs/dbraw/zinc/07/40/11/518074011.db2.gz YANOINDXRWNFJL-QZTJIDSGSA-N 1 3 358.530 2.986 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000543474577 518109803 /nfs/dbraw/zinc/10/98/03/518109803.db2.gz IYQJCOHPEKTLTA-JFIYKMOQSA-N 1 3 350.551 2.669 20 0 FFADHO C[N@H+](CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000517417329 518144114 /nfs/dbraw/zinc/14/41/14/518144114.db2.gz NFAQKLMELLBDQL-LJQANCHMSA-N 1 3 350.551 2.911 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCCC1 ZINC000517417329 518144118 /nfs/dbraw/zinc/14/41/18/518144118.db2.gz NFAQKLMELLBDQL-LJQANCHMSA-N 1 3 350.551 2.911 20 0 FFADHO CCn1c2ccccc2nc1CN(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000575367408 518205380 /nfs/dbraw/zinc/20/53/80/518205380.db2.gz ZDMNEYZMZDTIJP-GOSISDBHSA-N 1 3 357.546 2.904 20 0 FFADHO CCn1c2ccccc2nc1CN(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000575367408 518205383 /nfs/dbraw/zinc/20/53/83/518205383.db2.gz ZDMNEYZMZDTIJP-GOSISDBHSA-N 1 3 357.546 2.904 20 0 FFADHO C[C@@H](C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000584226963 518237290 /nfs/dbraw/zinc/23/72/90/518237290.db2.gz YVXWDTSOSBXHOT-HOCLYGCPSA-N 1 3 360.420 2.767 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(-n2cccn2)cc1 ZINC000566881958 518245226 /nfs/dbraw/zinc/24/52/26/518245226.db2.gz CRAPYGOQBLXVEG-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(-n2cccn2)cc1 ZINC000566881958 518245230 /nfs/dbraw/zinc/24/52/30/518245230.db2.gz CRAPYGOQBLXVEG-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO COc1ccc2c(c1F)CC[C@@H]2N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000572558837 518246765 /nfs/dbraw/zinc/24/67/65/518246765.db2.gz PNJKGJXJPLSTGG-IRXDYDNUSA-N 1 3 365.493 2.504 20 0 FFADHO O=C(Nc1ccc(O)cc1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000575755451 518266064 /nfs/dbraw/zinc/26/60/64/518266064.db2.gz PBAKVUCZRZTCMX-UHFFFAOYSA-N 1 3 365.477 2.889 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ncc(C)s3)CC2)CC1 ZINC000581438126 518285580 /nfs/dbraw/zinc/28/55/80/518285580.db2.gz GMADFLZIIDQAFB-OAHLLOKOSA-N 1 3 364.559 2.825 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000578672040 518320738 /nfs/dbraw/zinc/32/07/38/518320738.db2.gz FJODRTHUUSODLR-QGZVFWFLSA-N 1 3 364.559 2.916 20 0 FFADHO O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000578731088 518347609 /nfs/dbraw/zinc/34/76/09/518347609.db2.gz APGACQZHOLUYIQ-IBGZPJMESA-N 1 3 358.530 2.722 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)Oc3ccccc3)CC2)CC1 ZINC000584478421 518360609 /nfs/dbraw/zinc/36/06/09/518360609.db2.gz RNCACBFRLPFQKT-GOSISDBHSA-N 1 3 373.541 2.766 20 0 FFADHO CC1(C)CN(C2(CNC(=O)C[C@H]3CCCC[C@H]3[NH3+])CCCCC2)CCO1 ZINC000578765351 518363681 /nfs/dbraw/zinc/36/36/81/518363681.db2.gz VEPRUYPOOMNPMG-QZTJIDSGSA-N 1 3 365.562 2.824 20 0 FFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000581661267 518394185 /nfs/dbraw/zinc/39/41/85/518394185.db2.gz IHPSASSFMIEFTK-WMZOPIPTSA-N 1 3 359.514 2.897 20 0 FFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000576054186 518406607 /nfs/dbraw/zinc/40/66/07/518406607.db2.gz SYOARQIRRNUQTA-SJLPKXTDSA-N 1 3 350.551 2.526 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(C)C ZINC000567248226 518428852 /nfs/dbraw/zinc/42/88/52/518428852.db2.gz RTJPBHOEUHUNHJ-KCUHQSDYSA-N 1 3 358.530 2.674 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000572941486 518430521 /nfs/dbraw/zinc/43/05/21/518430521.db2.gz MMXCNISNJUYNPQ-PXNSSMCTSA-N 1 3 372.513 2.767 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC1(C[NH3+])CC1 ZINC000570159366 518470309 /nfs/dbraw/zinc/47/03/09/518470309.db2.gz CJKHJRGPYQKMJC-GOSISDBHSA-N 1 3 367.497 2.706 20 0 FFADHO C[N@H+](C[C@H](O)CNCC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000578997037 518474438 /nfs/dbraw/zinc/47/44/38/518474438.db2.gz CBKKYVCFVUYPLY-QGZVFWFLSA-N 1 3 367.331 2.916 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000578997037 518474446 /nfs/dbraw/zinc/47/44/46/518474446.db2.gz CBKKYVCFVUYPLY-QGZVFWFLSA-N 1 3 367.331 2.916 20 0 FFADHO O=C([C@H]1CNCc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000573089833 518504015 /nfs/dbraw/zinc/50/40/15/518504015.db2.gz SMFRNYQARFZXFS-ILWGZMRPSA-N 1 3 361.489 2.606 20 0 FFADHO O=C([C@H]1CNCc2ccccc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000573089833 518504024 /nfs/dbraw/zinc/50/40/24/518504024.db2.gz SMFRNYQARFZXFS-ILWGZMRPSA-N 1 3 361.489 2.606 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000567453152 518530044 /nfs/dbraw/zinc/53/00/44/518530044.db2.gz QZOPLRUOWIPIQR-LJQANCHMSA-N 1 3 354.454 2.723 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000582022301 518549970 /nfs/dbraw/zinc/54/99/70/518549970.db2.gz DQESXWTXGCJEBI-RMVXJAJNSA-N 1 3 370.541 2.918 20 0 FFADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000567522369 518566801 /nfs/dbraw/zinc/56/68/01/518566801.db2.gz NNCKNPCROAIAFX-IBGZPJMESA-N 1 3 358.530 2.606 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000567553283 518580857 /nfs/dbraw/zinc/58/08/57/518580857.db2.gz KHCYAZMSGJVNHY-WSTZPKSXSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000567553283 518580864 /nfs/dbraw/zinc/58/08/64/518580864.db2.gz KHCYAZMSGJVNHY-WSTZPKSXSA-N 1 3 360.546 2.925 20 0 FFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000564723790 518582929 /nfs/dbraw/zinc/58/29/29/518582929.db2.gz SNFDEGNKOUVQSC-ZPMCFJSWSA-N 1 3 354.494 2.507 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H]1c1cccs1 ZINC000573308436 518604386 /nfs/dbraw/zinc/60/43/86/518604386.db2.gz GBZMKHVQTHERCU-JFIYKMOQSA-N 1 3 364.559 2.948 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000564777293 518609253 /nfs/dbraw/zinc/60/92/53/518609253.db2.gz CJHBJNMCMUVOGV-NMIHRBCNSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000564777293 518609259 /nfs/dbraw/zinc/60/92/59/518609259.db2.gz CJHBJNMCMUVOGV-NMIHRBCNSA-N 1 3 357.542 2.740 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)c2conc2C(C)(C)N)[C@H]1c1cccs1 ZINC000573338347 518619419 /nfs/dbraw/zinc/61/94/19/518619419.db2.gz KVTHLUQKYTYQKC-DOMZBBRYSA-N 1 3 362.499 2.743 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)c2conc2C(C)(C)N)[C@H]1c1cccs1 ZINC000573338347 518619427 /nfs/dbraw/zinc/61/94/27/518619427.db2.gz KVTHLUQKYTYQKC-DOMZBBRYSA-N 1 3 362.499 2.743 20 0 FFADHO CN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000582172888 518623149 /nfs/dbraw/zinc/62/31/49/518623149.db2.gz WCDPDGVGSLORRL-XPWALMASSA-N 1 3 370.585 2.657 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)ncn4C)CC2)CC1 ZINC000576530465 518638774 /nfs/dbraw/zinc/63/87/74/518638774.db2.gz WRYUZFWROAQKDR-UHFFFAOYSA-N 1 3 369.513 2.708 20 0 FFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1ccccc1 ZINC000564846381 518647893 /nfs/dbraw/zinc/64/78/93/518647893.db2.gz MNFIRDUYMUVZEX-QFIPXVFZSA-N 1 3 354.494 2.950 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000564845556 518647996 /nfs/dbraw/zinc/64/79/96/518647996.db2.gz UOOXKEOTUHEWQO-HSZRJFAPSA-N 1 3 367.537 2.517 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)[C@@H]1c1cccs1 ZINC000579452627 518688358 /nfs/dbraw/zinc/68/83/58/518688358.db2.gz FBFMEFDOEULENA-BFYDXBDKSA-N 1 3 350.532 2.511 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@H](O)C[NH+]1CCCC1 ZINC000582382742 518727634 /nfs/dbraw/zinc/72/76/34/518727634.db2.gz STWJKECVYPLJMR-DOMZBBRYSA-N 1 3 359.283 2.566 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576776523 518757598 /nfs/dbraw/zinc/75/75/98/518757598.db2.gz QEDDYJQRSSKQGE-IFMALSPDSA-N 1 3 355.526 2.985 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576776523 518757603 /nfs/dbraw/zinc/75/76/03/518757603.db2.gz QEDDYJQRSSKQGE-IFMALSPDSA-N 1 3 355.526 2.985 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)[C@@H]1c1cccs1 ZINC000582476186 518772367 /nfs/dbraw/zinc/77/23/67/518772367.db2.gz MSUBKUNNEAWJCI-LZLYRXPVSA-N 1 3 364.559 2.901 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000573667722 518776683 /nfs/dbraw/zinc/77/66/83/518776683.db2.gz WZIBCFZNLDSEHO-ZMSDIMECSA-N 1 3 350.532 2.572 20 0 FFADHO [NH3+]CCC1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000565097209 518784772 /nfs/dbraw/zinc/78/47/72/518784772.db2.gz DEQMUELHCGNPPZ-UHFFFAOYSA-N 1 3 368.591 2.509 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000573683992 518786798 /nfs/dbraw/zinc/78/67/98/518786798.db2.gz QBJWHSZCUDZWMW-AWEZNQCLSA-N 1 3 357.454 2.669 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCCNC1 ZINC000573693948 518791166 /nfs/dbraw/zinc/79/11/66/518791166.db2.gz ZREXLCDUGACOHS-WFASDCNBSA-N 1 3 354.292 2.898 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3sc(C)nc3C)CC2)CC1 ZINC000573708648 518797373 /nfs/dbraw/zinc/79/73/73/518797373.db2.gz XHOWNUOWMSQELP-UHFFFAOYSA-N 1 3 364.559 2.572 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000573724075 518804658 /nfs/dbraw/zinc/80/46/58/518804658.db2.gz OZMHVQBWQXIDLX-BBRMVZONSA-N 1 3 366.303 2.615 20 0 FFADHO Cc1nn(C)c2ncc(C[NH2+]CCc3ccc(OCCN(C)C)cc3)cc12 ZINC000570875630 518820435 /nfs/dbraw/zinc/82/04/35/518820435.db2.gz SERDLAVMBRVYFQ-UHFFFAOYSA-N 1 3 367.497 2.549 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[NH2+]C(C)C ZINC000576940776 518837531 /nfs/dbraw/zinc/83/75/31/518837531.db2.gz CTDHLUCSOQIDQX-IBGZPJMESA-N 1 3 369.513 2.965 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000565243425 518859391 /nfs/dbraw/zinc/85/93/91/518859391.db2.gz MRVCMHVRFXINNN-CQSZACIVSA-N 1 3 355.324 2.522 20 0 FFADHO C[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)N(C)Cc1ccccc1 ZINC000579813294 518867945 /nfs/dbraw/zinc/86/79/45/518867945.db2.gz FQEVEZCXFQWFDS-MAUKXSAKSA-N 1 3 367.497 2.540 20 0 FFADHO O=C(CCNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1ccc(Cl)cc1 ZINC000579827107 518874352 /nfs/dbraw/zinc/87/43/52/518874352.db2.gz GXTIMLBSLZHPRF-MSOLQXFVSA-N 1 3 365.905 2.636 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000573902499 518891379 /nfs/dbraw/zinc/89/13/79/518891379.db2.gz ZZQLGTJXYKRLOI-AZUAARDMSA-N 1 3 355.482 2.962 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000582805481 518931147 /nfs/dbraw/zinc/93/11/47/518931147.db2.gz PFPKYAKNGJQXFJ-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCOC)c3ccccc3)CC2)CC1 ZINC000568227098 518938601 /nfs/dbraw/zinc/93/86/01/518938601.db2.gz RCDMDNNRYAXKGC-UHFFFAOYSA-N 1 3 373.541 2.862 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000589210085 518950795 /nfs/dbraw/zinc/95/07/95/518950795.db2.gz SSVMLSSKBGLRIN-SFTDATJTSA-N 1 3 370.541 2.703 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000589211402 518952932 /nfs/dbraw/zinc/95/29/32/518952932.db2.gz JELCUDAIEFQETK-KRWDZBQOSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000589211402 518952938 /nfs/dbraw/zinc/95/29/38/518952938.db2.gz JELCUDAIEFQETK-KRWDZBQOSA-N 1 3 360.546 2.853 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000589213184 518953672 /nfs/dbraw/zinc/95/36/72/518953672.db2.gz PFQIYYMAINWEOQ-KZNAEPCWSA-N 1 3 350.551 2.623 20 0 FFADHO COc1cc(Cl)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000565443857 518958956 /nfs/dbraw/zinc/95/89/56/518958956.db2.gz HYMNTQHBRSAKRQ-UHFFFAOYSA-N 1 3 356.898 2.614 20 0 FFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cncc(Br)c1 ZINC000568276642 518959431 /nfs/dbraw/zinc/95/94/31/518959431.db2.gz NZQZTOUMPJTZRY-ZDUSSCGKSA-N 1 3 355.324 2.521 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCO[C@H](C(C)C)C3)CC2)CC1 ZINC000580092269 519004004 /nfs/dbraw/zinc/00/40/04/519004004.db2.gz ARBVAEDPTROJEW-ICSRJNTNSA-N 1 3 365.562 2.503 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1)C1CC1 ZINC000577317085 519019507 /nfs/dbraw/zinc/01/95/07/519019507.db2.gz RENIPAOBALRYQR-UHFFFAOYSA-N 1 3 355.486 2.681 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1)C1CC1 ZINC000577317085 519019509 /nfs/dbraw/zinc/01/95/09/519019509.db2.gz RENIPAOBALRYQR-UHFFFAOYSA-N 1 3 355.486 2.681 20 0 FFADHO CN(C)CCC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000589843675 519092487 /nfs/dbraw/zinc/09/24/87/519092487.db2.gz XAZQHAPZJMPQNI-UHFFFAOYSA-N 1 3 360.527 2.688 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)CC1 ZINC000568542746 519093866 /nfs/dbraw/zinc/09/38/66/519093866.db2.gz IBVGHYTZMFHZRK-UHFFFAOYSA-N 1 3 361.505 2.681 20 0 FFADHO CCCN[C@H](C)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000580322481 519118420 /nfs/dbraw/zinc/11/84/20/519118420.db2.gz QNAFZPRJTSIJBQ-MRXNPFEDSA-N 1 3 360.502 2.828 20 0 FFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000580323806 519119847 /nfs/dbraw/zinc/11/98/47/519119847.db2.gz JPAOIGYLMSQSFG-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000571506485 519129181 /nfs/dbraw/zinc/12/91/81/519129181.db2.gz BSOGDJUFMPJQTR-CUSZFKRNSA-N 1 3 364.559 2.900 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000571506486 519129207 /nfs/dbraw/zinc/12/92/07/519129207.db2.gz BSOGDJUFMPJQTR-LHHMISFZSA-N 1 3 364.559 2.900 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](N)c3ccccc3C)cc2)CC1 ZINC000574395953 519135216 /nfs/dbraw/zinc/13/52/16/519135216.db2.gz LJEFDBHGOLJQJH-NRFANRHFSA-N 1 3 366.509 2.771 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N1CCc2ccccc2C1 ZINC000580374185 519140728 /nfs/dbraw/zinc/14/07/28/519140728.db2.gz BQBFZKRUNVCVMB-PXNSSMCTSA-N 1 3 360.546 2.851 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N1CCc2ccccc2C1 ZINC000580374185 519140739 /nfs/dbraw/zinc/14/07/39/519140739.db2.gz BQBFZKRUNVCVMB-PXNSSMCTSA-N 1 3 360.546 2.851 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCC1)Nc1cccc2c1CC[NH2+]C2 ZINC000574424784 519150577 /nfs/dbraw/zinc/15/05/77/519150577.db2.gz CWODQTVWWXMDCP-UHFFFAOYSA-N 1 3 374.554 2.815 20 0 FFADHO COc1ccc(CNCC2(SC)CC[NH+](C)CC2)c(OC)c1OC ZINC000574442163 519156849 /nfs/dbraw/zinc/15/68/49/519156849.db2.gz IWLAQHCLFHLSNZ-UHFFFAOYSA-N 1 3 354.516 2.629 20 0 FFADHO O=C(CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1cccnc1 ZINC000568683524 519161865 /nfs/dbraw/zinc/16/18/65/519161865.db2.gz MNVNMXXCLBELGK-UXHICEINSA-N 1 3 364.493 2.864 20 0 FFADHO O=C(CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1cccnc1 ZINC000568683524 519161869 /nfs/dbraw/zinc/16/18/69/519161869.db2.gz MNVNMXXCLBELGK-UXHICEINSA-N 1 3 364.493 2.864 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C[C@H]21 ZINC000580445814 519182126 /nfs/dbraw/zinc/18/21/26/519182126.db2.gz GPNCWXWLEAWZOL-SMKXDYDZSA-N 1 3 367.415 2.870 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000571632767 519191709 /nfs/dbraw/zinc/19/17/09/519191709.db2.gz AOTMPHKETLBMSA-HNAYVOBHSA-N 1 3 373.570 2.550 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000571656695 519205594 /nfs/dbraw/zinc/20/55/94/519205594.db2.gz UXCMNBJRAPKGCQ-HAGHYFMRSA-N 1 3 358.530 2.539 20 0 FFADHO C[NH+](C)CC1(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CCC1 ZINC000571694875 519226492 /nfs/dbraw/zinc/22/64/92/519226492.db2.gz XHEQCWBELRJANB-QGZVFWFLSA-N 1 3 365.468 2.744 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000574667534 519269399 /nfs/dbraw/zinc/26/93/99/519269399.db2.gz IBUHNLRIOBQUPJ-MOPGFXCFSA-N 1 3 358.530 2.668 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[NH2+]1 ZINC000577829112 519274451 /nfs/dbraw/zinc/27/44/51/519274451.db2.gz RAOGSRXIDOUSIC-SJLPKXTDSA-N 1 3 360.502 2.813 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000577841697 519284119 /nfs/dbraw/zinc/28/41/19/519284119.db2.gz HJTXJQIERZDGHB-NVXWUHKLSA-N 1 3 364.559 2.586 20 0 FFADHO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000568929328 519286754 /nfs/dbraw/zinc/28/67/54/519286754.db2.gz YXUGLKLLTSSWIM-MRXNPFEDSA-N 1 3 368.953 2.791 20 0 FFADHO C[C@]1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCN(Cc2ccccc2)C1 ZINC000583568796 519316323 /nfs/dbraw/zinc/31/63/23/519316323.db2.gz XRTHFOWDHKBKKC-QFIPXVFZSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000580734092 519329214 /nfs/dbraw/zinc/32/92/14/519329214.db2.gz FQUCQLWTGZBJDK-RSPOEFSDSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000580734092 519329218 /nfs/dbraw/zinc/32/92/18/519329218.db2.gz FQUCQLWTGZBJDK-RSPOEFSDSA-N 1 3 356.514 2.528 20 0 FFADHO COCCC[NH+]1CCC(NC[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000571908723 519341482 /nfs/dbraw/zinc/34/14/82/519341482.db2.gz ABACGFWNFWFOTP-QFIPXVFZSA-N 1 3 356.510 2.834 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000578012624 519372394 /nfs/dbraw/zinc/37/23/94/519372394.db2.gz QTMDNBVHIFLPBC-IRLDBZIGSA-N 1 3 367.493 2.989 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000583688595 519381835 /nfs/dbraw/zinc/38/18/35/519381835.db2.gz QWULLRKTICGXAK-RBSFLKMASA-N 1 3 360.420 2.908 20 0 FFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000578064359 519399003 /nfs/dbraw/zinc/39/90/03/519399003.db2.gz AJYWGQAFVZRQFX-WZONZLPQSA-N 1 3 368.521 2.898 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000566286406 519412084 /nfs/dbraw/zinc/41/20/84/519412084.db2.gz MHYYONQQKKHWKU-LJQANCHMSA-N 1 3 360.546 2.571 20 0 FFADHO C[C@H](NC1(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000578129946 519433910 /nfs/dbraw/zinc/43/39/10/519433910.db2.gz JRMUXLIEHVPVEN-IHPCNDPISA-N 1 3 373.541 2.910 20 0 FFADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)Cc1cccc(Cl)c1 ZINC000572114920 519451493 /nfs/dbraw/zinc/45/14/93/519451493.db2.gz NCQRFVYMVSXEBE-LEWJYISDSA-N 1 3 374.912 2.600 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000572132538 519460269 /nfs/dbraw/zinc/46/02/69/519460269.db2.gz HXWOWPAYWOACOH-VXKWHMMOSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000572132538 519460275 /nfs/dbraw/zinc/46/02/75/519460275.db2.gz HXWOWPAYWOACOH-VXKWHMMOSA-N 1 3 365.521 2.798 20 0 FFADHO C[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN(C2CCC2)C1 ZINC000572133613 519462228 /nfs/dbraw/zinc/46/22/28/519462228.db2.gz HHHVSBPZBPWDMC-VQIMIIECSA-N 1 3 365.587 2.537 20 0 FFADHO C[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC[C@H]1C ZINC000583858145 519470050 /nfs/dbraw/zinc/47/00/50/519470050.db2.gz FFQWUGODJWSZFN-NUJGCVRESA-N 1 3 353.576 2.583 20 0 FFADHO Cc1ccc(C(=O)NCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000581006087 519472851 /nfs/dbraw/zinc/47/28/51/519472851.db2.gz ZTJDKVWEQZWNJF-KNQAVFIVSA-N 1 3 365.477 2.570 20 0 FFADHO CC1(C)CCCN(CCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000572204303 519492349 /nfs/dbraw/zinc/49/23/49/519492349.db2.gz WDADFPCOUPFIBJ-UHFFFAOYSA-N 1 3 373.545 2.719 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNCCN2C(=O)c3ccccc3C2=O)c1 ZINC000581051128 519495934 /nfs/dbraw/zinc/49/59/34/519495934.db2.gz AKGDHTXZOCJHLT-UHFFFAOYSA-N 1 3 365.477 2.913 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNCCN2C(=O)c3ccccc3C2=O)c1 ZINC000581051128 519495941 /nfs/dbraw/zinc/49/59/41/519495941.db2.gz AKGDHTXZOCJHLT-UHFFFAOYSA-N 1 3 365.477 2.913 20 0 FFADHO C[C@H](Cc1cc(Br)ccc1F)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000583929295 519504441 /nfs/dbraw/zinc/50/44/41/519504441.db2.gz APJSSZBKROZKCX-IAQYHMDHSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@H](Cc1cc(Br)ccc1F)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583929295 519504442 /nfs/dbraw/zinc/50/44/42/519504442.db2.gz APJSSZBKROZKCX-IAQYHMDHSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000581061459 519505078 /nfs/dbraw/zinc/50/50/78/519505078.db2.gz HCRNKVVAXAFVDI-PBHICJAKSA-N 1 3 366.456 2.508 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H](SC)C3)CC2)CC1 ZINC000572301648 519545646 /nfs/dbraw/zinc/54/56/46/519545646.db2.gz KQBQAFRJQZQHBU-IBGZPJMESA-N 1 3 367.603 2.927 20 0 FFADHO CN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](c2ccccc2)C1 ZINC000569471890 519568643 /nfs/dbraw/zinc/56/86/43/519568643.db2.gz IPGGJBKMVNBWRZ-NHCUHLMSSA-N 1 3 351.494 2.618 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCCCC1 ZINC000591541482 519942069 /nfs/dbraw/zinc/94/20/69/519942069.db2.gz UFPFEUZHUKMDBD-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000594495645 520003247 /nfs/dbraw/zinc/00/32/47/520003247.db2.gz ROWLKSFDQJRTBX-WIYYLYMNSA-N 1 3 371.525 2.609 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000608698017 520086691 /nfs/dbraw/zinc/08/66/91/520086691.db2.gz LBNMTRWZBSOJBC-FQEVSTJZSA-N 1 3 358.530 2.697 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000608698017 520086701 /nfs/dbraw/zinc/08/67/01/520086701.db2.gz LBNMTRWZBSOJBC-FQEVSTJZSA-N 1 3 358.530 2.697 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000594975658 520238612 /nfs/dbraw/zinc/23/86/12/520238612.db2.gz AAWFMHARFOVJJC-JFIYKMOQSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000594976509 520238717 /nfs/dbraw/zinc/23/87/17/520238717.db2.gz MNLVRQRKKZJCDF-NSISKUIASA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000594976509 520238722 /nfs/dbraw/zinc/23/87/22/520238722.db2.gz MNLVRQRKKZJCDF-NSISKUIASA-N 1 3 356.514 2.605 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000612967154 520245648 /nfs/dbraw/zinc/24/56/48/520245648.db2.gz YFUQJXLGVVUAPJ-PMACEKPBSA-N 1 3 370.541 2.901 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H]1c1cccs1 ZINC000612974042 520250644 /nfs/dbraw/zinc/25/06/44/520250644.db2.gz NXSBFCIVTVHRKU-HYVNUMGLSA-N 1 3 362.543 2.572 20 0 FFADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000595066127 520275438 /nfs/dbraw/zinc/27/54/38/520275438.db2.gz CJZRTFMIIAEZDS-VQIMIIECSA-N 1 3 362.514 2.711 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cccc(OCCN(C)C)c1 ZINC000595070648 520279121 /nfs/dbraw/zinc/27/91/21/520279121.db2.gz NWHNDQVCMPKHRB-KTPJXYJSSA-N 1 3 352.544 2.967 20 0 FFADHO CC(C)(C)OC(=O)C1(CNC2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000592394649 520364732 /nfs/dbraw/zinc/36/47/32/520364732.db2.gz PMGPPZGSNGPJID-UHFFFAOYSA-N 1 3 352.519 2.589 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000603907484 520400514 /nfs/dbraw/zinc/40/05/14/520400514.db2.gz DUWICCFDOATSNI-RBUKOAKNSA-N 1 3 373.541 2.964 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000600843408 520496025 /nfs/dbraw/zinc/49/60/25/520496025.db2.gz APTWNZXXIBSCNV-SFTDATJTSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000600843408 520496031 /nfs/dbraw/zinc/49/60/31/520496031.db2.gz APTWNZXXIBSCNV-SFTDATJTSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000617507141 520545101 /nfs/dbraw/zinc/54/51/01/520545101.db2.gz KCVNPUOWBQPPLJ-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000617507141 520545108 /nfs/dbraw/zinc/54/51/08/520545108.db2.gz KCVNPUOWBQPPLJ-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000601237160 520701736 /nfs/dbraw/zinc/70/17/36/520701736.db2.gz UXXJTIPISJWPEK-NRFANRHFSA-N 1 3 370.541 2.572 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)N1CCc2ccccc2C1 ZINC000601244068 520705513 /nfs/dbraw/zinc/70/55/13/520705513.db2.gz GKCORHRWOCRNMR-RTWAWAEBSA-N 1 3 372.557 2.995 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000595900406 520804801 /nfs/dbraw/zinc/80/48/01/520804801.db2.gz FMNDZRDEYBEJDB-SFHVURJKSA-N 1 3 372.513 2.663 20 0 FFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)CC1 ZINC000605887092 520963845 /nfs/dbraw/zinc/96/38/45/520963845.db2.gz ZLBXLAYJCVPBNL-QPIRBTGLSA-N 1 3 362.562 2.909 20 0 FFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CC2)CC1 ZINC000605887092 520963849 /nfs/dbraw/zinc/96/38/49/520963849.db2.gz ZLBXLAYJCVPBNL-QPIRBTGLSA-N 1 3 362.562 2.909 20 0 FFADHO CSC1(CNC(=O)NC[C@H]2CCN2C2CCCCC2)CC[NH+](C)CC1 ZINC000599065292 521010217 /nfs/dbraw/zinc/01/02/17/521010217.db2.gz KAUZQTXANJLDLC-QGZVFWFLSA-N 1 3 368.591 2.520 20 0 FFADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000606703305 521143980 /nfs/dbraw/zinc/14/39/80/521143980.db2.gz QCRNDBQBDKKZDW-FQEVSTJZSA-N 1 3 362.562 2.768 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000625881334 521755574 /nfs/dbraw/zinc/75/55/74/521755574.db2.gz NOXUCKRYOBRCFO-LSDHHAIUSA-N 1 3 372.435 2.782 20 0 FFADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccccc1 ZINC000625944502 521800384 /nfs/dbraw/zinc/80/03/84/521800384.db2.gz QWDIPJJQSLMXEL-GOSISDBHSA-N 1 3 354.454 2.593 20 0 FFADHO Nc1ccc(-c2cccc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000634997634 521856964 /nfs/dbraw/zinc/85/69/64/521856964.db2.gz PPOMYKHPDPDWAQ-NRFANRHFSA-N 1 3 366.509 2.921 20 0 FFADHO COc1cccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000635005474 521862538 /nfs/dbraw/zinc/86/25/38/521862538.db2.gz JAYWQIQKUHBCBS-FUHWJXTLSA-N 1 3 355.482 2.962 20 0 FFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)c1 ZINC000635005474 521862541 /nfs/dbraw/zinc/86/25/41/521862541.db2.gz JAYWQIQKUHBCBS-FUHWJXTLSA-N 1 3 355.482 2.962 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)CC1 ZINC000623360002 521963729 /nfs/dbraw/zinc/96/37/29/521963729.db2.gz OPQCZZMXRAIULK-UHFFFAOYSA-N 1 3 363.509 2.990 20 0 FFADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC1(C)C ZINC000623452699 522033205 /nfs/dbraw/zinc/03/32/05/522033205.db2.gz MMZWRWRDXURNKN-SFHVURJKSA-N 1 3 364.965 2.924 20 0 FFADHO C[N@H+]1CC[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC1(C)C ZINC000623452699 522033211 /nfs/dbraw/zinc/03/32/11/522033211.db2.gz MMZWRWRDXURNKN-SFHVURJKSA-N 1 3 364.965 2.924 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000620551079 522290034 /nfs/dbraw/zinc/29/00/34/522290034.db2.gz CLUIDTRQRKDTHD-MRXNPFEDSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@H]([NH3+])C1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629514439 522292913 /nfs/dbraw/zinc/29/29/13/522292913.db2.gz ZWCAMYQUNQZZKZ-ZBEGNZNMSA-N 1 3 366.303 2.762 20 0 FFADHO COC[C@@H](CCC[NH3+])NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629520420 522297153 /nfs/dbraw/zinc/29/71/53/522297153.db2.gz VVKJFWPKCACQNY-WIYYLYMNSA-N 1 3 367.493 2.727 20 0 FFADHO CC[C@H](Cc1ccccc1Br)NC[C@H](O)C[NH+]1CCCC1 ZINC000629566885 522322978 /nfs/dbraw/zinc/32/29/78/522322978.db2.gz AYQFOWHCOIGXAR-CVEARBPZSA-N 1 3 355.320 2.817 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000623906574 522358849 /nfs/dbraw/zinc/35/88/49/522358849.db2.gz ZXRPXFUQFSIIFP-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000623906574 522358858 /nfs/dbraw/zinc/35/88/58/522358858.db2.gz ZXRPXFUQFSIIFP-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1OCC2 ZINC000626684337 522374065 /nfs/dbraw/zinc/37/40/65/522374065.db2.gz SPPKZHSMTOIRKC-KRWDZBQOSA-N 1 3 360.502 2.501 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1OCC2 ZINC000626684337 522374077 /nfs/dbraw/zinc/37/40/77/522374077.db2.gz SPPKZHSMTOIRKC-KRWDZBQOSA-N 1 3 360.502 2.501 20 0 FFADHO O=C(NCCN1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000624135812 522496764 /nfs/dbraw/zinc/49/67/64/522496764.db2.gz OXUABUBLHKMOFU-LEWJYISDSA-N 1 3 355.526 2.747 20 0 FFADHO O=C(NCCN1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000624135812 522496777 /nfs/dbraw/zinc/49/67/77/522496777.db2.gz OXUABUBLHKMOFU-LEWJYISDSA-N 1 3 355.526 2.747 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cccc(OC)c1 ZINC000626926767 522535421 /nfs/dbraw/zinc/53/54/21/522535421.db2.gz OFBJXVHLYBLJOK-RBUKOAKNSA-N 1 3 374.529 2.662 20 0 FFADHO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000629974460 522560409 /nfs/dbraw/zinc/56/04/09/522560409.db2.gz ZEVPIANFSRWECZ-CTNGQTDRSA-N 1 3 355.526 2.984 20 0 FFADHO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000629974460 522560417 /nfs/dbraw/zinc/56/04/17/522560417.db2.gz ZEVPIANFSRWECZ-CTNGQTDRSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630038668 522596814 /nfs/dbraw/zinc/59/68/14/522596814.db2.gz FGTCLGGVUDZQDV-QMMLZNLJSA-N 1 3 352.563 2.875 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630038668 522596825 /nfs/dbraw/zinc/59/68/25/522596825.db2.gz FGTCLGGVUDZQDV-QMMLZNLJSA-N 1 3 352.563 2.875 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CCC([NH+](C)C)CC3)C2)cc1 ZINC000633316167 522669738 /nfs/dbraw/zinc/66/97/38/522669738.db2.gz BIIIAOIBWQVEBG-GPJFCIFZSA-N 1 3 358.530 2.741 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000627165030 522687665 /nfs/dbraw/zinc/68/76/65/522687665.db2.gz LCXHKSBVEVUYKG-FRYIKTPZSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000627197712 522709919 /nfs/dbraw/zinc/70/99/19/522709919.db2.gz FMTOYRVZCFSWBL-JYBIWHBTSA-N 1 3 358.530 2.821 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1ccccc1Cl ZINC000624714215 522874841 /nfs/dbraw/zinc/87/48/41/522874841.db2.gz NRXHFTQNYQCIQQ-INIZCTEOSA-N 1 3 366.937 2.626 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1ccccc1Cl ZINC000624714215 522874846 /nfs/dbraw/zinc/87/48/46/522874846.db2.gz NRXHFTQNYQCIQQ-INIZCTEOSA-N 1 3 366.937 2.626 20 0 FFADHO CN(C)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000636303988 522901203 /nfs/dbraw/zinc/90/12/03/522901203.db2.gz QMUMNVPRPQOZJU-BBRMVZONSA-N 1 3 357.420 2.766 20 0 FFADHO CN(C)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000636303988 522901207 /nfs/dbraw/zinc/90/12/07/522901207.db2.gz QMUMNVPRPQOZJU-BBRMVZONSA-N 1 3 357.420 2.766 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000636456386 522991012 /nfs/dbraw/zinc/99/10/12/522991012.db2.gz YMWXEGQBVSQOCU-LJQANCHMSA-N 1 3 358.530 2.949 20 0 FFADHO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000621644023 522993015 /nfs/dbraw/zinc/99/30/15/522993015.db2.gz ORMVUSPIYHZTBE-SFHVURJKSA-N 1 3 361.555 2.996 20 0 FFADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2ccccc21 ZINC000621753567 523059467 /nfs/dbraw/zinc/05/94/67/523059467.db2.gz QQBXPVIBNOKGIP-YLJYHZDGSA-N 1 3 357.498 2.575 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(C(F)(F)F)c1 ZINC000628051293 523306010 /nfs/dbraw/zinc/30/60/10/523306010.db2.gz ATLDWIBOLVAZBH-NSHDSACASA-N 1 3 351.438 2.769 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(C(F)(F)F)c1 ZINC000628051293 523306019 /nfs/dbraw/zinc/30/60/19/523306019.db2.gz ATLDWIBOLVAZBH-NSHDSACASA-N 1 3 351.438 2.769 20 0 FFADHO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000631045845 523331472 /nfs/dbraw/zinc/33/14/72/523331472.db2.gz CAVYABBFMITVLR-UHFFFAOYSA-N 1 3 366.509 2.682 20 0 FFADHO CCCN(C(=O)NCC[NH2+]C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000637330242 523561149 /nfs/dbraw/zinc/56/11/49/523561149.db2.gz SWDWDFOVNMXXJY-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCn2ccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000634687201 523579288 /nfs/dbraw/zinc/57/92/88/523579288.db2.gz BJZBOBLXTMGGCX-HUUCEWRRSA-N 1 3 362.440 2.629 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCn2ccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000634687201 523579292 /nfs/dbraw/zinc/57/92/92/523579292.db2.gz BJZBOBLXTMGGCX-HUUCEWRRSA-N 1 3 362.440 2.629 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637369711 523587508 /nfs/dbraw/zinc/58/75/08/523587508.db2.gz BEWRDRYCRZMWRZ-ICSRJNTNSA-N 1 3 362.562 2.767 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637369711 523587515 /nfs/dbraw/zinc/58/75/15/523587515.db2.gz BEWRDRYCRZMWRZ-ICSRJNTNSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634708397 523592824 /nfs/dbraw/zinc/59/28/24/523592824.db2.gz UDZCLOKECCHVPW-OQZLWFJBSA-N 1 3 360.542 2.645 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634708397 523592839 /nfs/dbraw/zinc/59/28/39/523592839.db2.gz UDZCLOKECCHVPW-OQZLWFJBSA-N 1 3 360.542 2.645 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000637601379 523728861 /nfs/dbraw/zinc/72/88/61/523728861.db2.gz AVLZQQLVOBDNKL-HLAWJBBLSA-N 1 3 372.557 2.738 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000637601379 523728869 /nfs/dbraw/zinc/72/88/69/523728869.db2.gz AVLZQQLVOBDNKL-HLAWJBBLSA-N 1 3 372.557 2.738 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000637601381 523729154 /nfs/dbraw/zinc/72/91/54/523729154.db2.gz AVLZQQLVOBDNKL-NRSPTQNISA-N 1 3 372.557 2.738 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000637601381 523729161 /nfs/dbraw/zinc/72/91/61/523729161.db2.gz AVLZQQLVOBDNKL-NRSPTQNISA-N 1 3 372.557 2.738 20 0 FFADHO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC000736559547 598509487 /nfs/dbraw/zinc/50/94/87/598509487.db2.gz ZQHWSWQEDZVTKJ-UHFFFAOYSA-N 1 3 350.470 2.950 20 0 FFADHO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC000736559547 598509488 /nfs/dbraw/zinc/50/94/88/598509488.db2.gz ZQHWSWQEDZVTKJ-UHFFFAOYSA-N 1 3 350.470 2.950 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000821813444 599407760 /nfs/dbraw/zinc/40/77/60/599407760.db2.gz GZCZZCNFTPYEKE-HNNXBMFYSA-N 1 3 358.490 2.620 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000821813444 599407762 /nfs/dbraw/zinc/40/77/62/599407762.db2.gz GZCZZCNFTPYEKE-HNNXBMFYSA-N 1 3 358.490 2.620 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821813444 599407763 /nfs/dbraw/zinc/40/77/63/599407763.db2.gz GZCZZCNFTPYEKE-HNNXBMFYSA-N 1 3 358.490 2.620 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821813444 599407765 /nfs/dbraw/zinc/40/77/65/599407765.db2.gz GZCZZCNFTPYEKE-HNNXBMFYSA-N 1 3 358.490 2.620 20 0 FFADHO C[NH+](C)CCCC1CC[NH+](Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000825860037 608379472 /nfs/dbraw/zinc/37/94/72/608379472.db2.gz KWOOUAXOSAJOHC-UHFFFAOYSA-N 1 3 367.501 2.673 20 0 FFADHO C[NH+](C)CCCC1CC[NH+](Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000825860037 608379473 /nfs/dbraw/zinc/37/94/73/608379473.db2.gz KWOOUAXOSAJOHC-UHFFFAOYSA-N 1 3 367.501 2.673 20 0 FFADHO Cc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(N)c1 ZINC001164697639 719896291 /nfs/dbraw/zinc/89/62/91/719896291.db2.gz MKQAGDCWXFCJAF-UHFFFAOYSA-N 1 3 358.511 2.905 20 0 FFADHO Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(N)c1 ZINC001164697639 719896292 /nfs/dbraw/zinc/89/62/92/719896292.db2.gz MKQAGDCWXFCJAF-UHFFFAOYSA-N 1 3 358.511 2.905 20 0 FFADHO CSc1nnc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1CC(C)C ZINC000166601853 728977389 /nfs/dbraw/zinc/97/73/89/728977389.db2.gz SHXIRAMDKCNXPS-HZPDHXFCSA-N 1 3 351.564 2.805 20 0 FFADHO CSc1nnc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1CC(C)C ZINC000166601853 728977393 /nfs/dbraw/zinc/97/73/93/728977393.db2.gz SHXIRAMDKCNXPS-HZPDHXFCSA-N 1 3 351.564 2.805 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000187856926 729381967 /nfs/dbraw/zinc/38/19/67/729381967.db2.gz RSTCWDGNDQMCML-AWEZNQCLSA-N 1 3 354.882 2.611 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000272135236 729697759 /nfs/dbraw/zinc/69/77/59/729697759.db2.gz AXWPPVWTXIMDPV-UHFFFAOYSA-N 1 3 364.287 2.544 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000509574853 729928767 /nfs/dbraw/zinc/92/87/67/729928767.db2.gz KMNSEPBABJSRGA-ZIAGYGMSSA-N 1 3 361.452 2.640 20 0 FFADHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000638663352 730038304 /nfs/dbraw/zinc/03/83/04/730038304.db2.gz GFUWEEFRWDRRGS-NEPJUHHUSA-N 1 3 354.228 2.695 20 0 FFADHO CSc1ccc(CN(C)C(=O)CN2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639759530 730099010 /nfs/dbraw/zinc/09/90/10/730099010.db2.gz AODRGPTVLNTANU-UHFFFAOYSA-N 1 3 361.555 2.785 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCc1ccc(F)c(F)c1F ZINC000644619676 730487932 /nfs/dbraw/zinc/48/79/32/730487932.db2.gz WQBBTKATWJDMCH-MRXNPFEDSA-N 1 3 352.400 2.729 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCc1ccc(F)c(F)c1F ZINC000644619676 730487936 /nfs/dbraw/zinc/48/79/36/730487936.db2.gz WQBBTKATWJDMCH-MRXNPFEDSA-N 1 3 352.400 2.729 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482629 730704044 /nfs/dbraw/zinc/70/40/44/730704044.db2.gz KLJIABZXYLDVTI-CABCVRRESA-N 1 3 361.477 2.953 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482629 730704045 /nfs/dbraw/zinc/70/40/45/730704045.db2.gz KLJIABZXYLDVTI-CABCVRRESA-N 1 3 361.477 2.953 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482629 730704047 /nfs/dbraw/zinc/70/40/47/730704047.db2.gz KLJIABZXYLDVTI-CABCVRRESA-N 1 3 361.477 2.953 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482632 730704501 /nfs/dbraw/zinc/70/45/01/730704501.db2.gz KLJIABZXYLDVTI-LSDHHAIUSA-N 1 3 361.477 2.953 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482632 730704504 /nfs/dbraw/zinc/70/45/04/730704504.db2.gz KLJIABZXYLDVTI-LSDHHAIUSA-N 1 3 361.477 2.953 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862482632 730704506 /nfs/dbraw/zinc/70/45/06/730704506.db2.gz KLJIABZXYLDVTI-LSDHHAIUSA-N 1 3 361.477 2.953 20 0 FFADHO O[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Br)cc1 ZINC000863563514 730790743 /nfs/dbraw/zinc/79/07/43/730790743.db2.gz OYBCOCWFFFOQFY-IAOVAPTHSA-N 1 3 353.304 2.947 20 0 FFADHO O[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Br)cc1 ZINC000863563515 730790757 /nfs/dbraw/zinc/79/07/57/730790757.db2.gz OYBCOCWFFFOQFY-KBRIMQKVSA-N 1 3 353.304 2.947 20 0 FFADHO CCCN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCN(C)C1 ZINC000648996014 730848798 /nfs/dbraw/zinc/84/87/98/730848798.db2.gz LASMRJGDJRRHOF-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO CCCN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCN(C)C1 ZINC000648996014 730848801 /nfs/dbraw/zinc/84/88/01/730848801.db2.gz LASMRJGDJRRHOF-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO OC[C@@H](c1ccc(Cl)cc1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649412877 730883257 /nfs/dbraw/zinc/88/32/57/730883257.db2.gz CINVYXBWVVVUBX-FQEVSTJZSA-N 1 3 365.949 2.771 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3ccc(OC(F)F)cc3F)C2)CC1 ZINC000865459652 730957940 /nfs/dbraw/zinc/95/79/40/730957940.db2.gz ATMGPVFWOFSXHA-AWEZNQCLSA-N 1 3 357.420 2.685 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925484805 738510002 /nfs/dbraw/zinc/51/00/02/738510002.db2.gz ILUYFYRHNWYVFH-WOJBJXKFSA-N 1 3 364.555 2.749 20 0 FFADHO [NH3+]CC1(CCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000652574483 731206368 /nfs/dbraw/zinc/20/63/68/731206368.db2.gz TXLVUTPXGZUYPH-UHFFFAOYSA-N 1 3 362.543 2.528 20 0 FFADHO CC(C)[NH+]1CCC(CCNS(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000867652299 731209843 /nfs/dbraw/zinc/20/98/43/731209843.db2.gz BUKRRCDEYPODGY-UHFFFAOYSA-N 1 3 367.559 2.537 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000925669824 738521809 /nfs/dbraw/zinc/52/18/09/738521809.db2.gz FRUFINIWAXUXEJ-PVAVHDDUSA-N 1 3 364.921 2.639 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870856605 731566492 /nfs/dbraw/zinc/56/64/92/731566492.db2.gz RWLMASNRQCWMNN-UHFFFAOYSA-N 1 3 358.511 2.602 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849492 738536166 /nfs/dbraw/zinc/53/61/66/738536166.db2.gz DIJRYKSWOAQWCZ-JSGCOSHPSA-N 1 3 351.516 2.911 20 0 FFADHO COc1cc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1SC ZINC000925855360 738537674 /nfs/dbraw/zinc/53/76/74/738537674.db2.gz PCUNAUOURXTFMF-UKRRQHHQSA-N 1 3 364.511 2.753 20 0 FFADHO Cc1nn2c(CN[C@@H](C)CN(C)CCC[NH+](C)C)c(C(C)C)nc2s1 ZINC000657574102 731792378 /nfs/dbraw/zinc/79/23/78/731792378.db2.gz ZZBSKWVLMVWZCC-AWEZNQCLSA-N 1 3 366.579 2.584 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659490078 731981949 /nfs/dbraw/zinc/98/19/49/731981949.db2.gz OANINZVONLGPBH-QZTJIDSGSA-N 1 3 350.551 2.528 20 0 FFADHO CC[C@@H]1CC[C@@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000660575475 732124215 /nfs/dbraw/zinc/12/42/15/732124215.db2.gz VPKOWVQFCOGTCD-IAGOWNOFSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000875358602 732147307 /nfs/dbraw/zinc/14/73/07/732147307.db2.gz AGRGTIQBHHGGNG-SJLPKXTDSA-N 1 3 350.551 2.621 20 0 FFADHO OCCCN(Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253297 732289073 /nfs/dbraw/zinc/28/90/73/732289073.db2.gz IDDKHSRLGMRRIU-CQSZACIVSA-N 1 3 359.297 2.699 20 0 FFADHO O=C([C@H](F)[C@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000876879626 732290939 /nfs/dbraw/zinc/29/09/39/732290939.db2.gz LUVFXTRCJQLJCF-FUHWJXTLSA-N 1 3 367.896 2.712 20 0 FFADHO COc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@H]2CN)c(OC)cc1Cl ZINC000662312109 732295806 /nfs/dbraw/zinc/29/58/06/732295806.db2.gz QXXMGQUYVDELIL-OLZOCXBDSA-N 1 3 369.893 2.745 20 0 FFADHO COc1cc(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@H]2CN)c(OC)cc1Cl ZINC000662312109 732295808 /nfs/dbraw/zinc/29/58/08/732295808.db2.gz QXXMGQUYVDELIL-OLZOCXBDSA-N 1 3 369.893 2.745 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccc(Cl)nn3)cc2)CC1 ZINC000876938164 732299566 /nfs/dbraw/zinc/29/95/66/732299566.db2.gz SJMUURRWOAHRNN-UHFFFAOYSA-N 1 3 359.905 2.557 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000877159620 732329565 /nfs/dbraw/zinc/32/95/65/732329565.db2.gz ZYLGICXIXYTTSI-IAGOWNOFSA-N 1 3 360.889 2.510 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc2c1CC[NH2+]C2 ZINC000662664782 732344390 /nfs/dbraw/zinc/34/43/90/732344390.db2.gz HHKUKXPFCKSIRT-GOSISDBHSA-N 1 3 355.507 2.961 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(NCc2nc3ccc(F)cc3s2)CC1 ZINC000663506161 732451639 /nfs/dbraw/zinc/45/16/39/732451639.db2.gz QVACLQJBKLRMAV-UHFFFAOYSA-N 1 3 364.490 2.516 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000663799071 732494850 /nfs/dbraw/zinc/49/48/50/732494850.db2.gz XEEGHXHTOLFAMP-KBXCAEBGSA-N 1 3 366.937 2.899 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000663799071 732494851 /nfs/dbraw/zinc/49/48/51/732494851.db2.gz XEEGHXHTOLFAMP-KBXCAEBGSA-N 1 3 366.937 2.899 20 0 FFADHO CSc1cccc(F)c1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664866676 732641232 /nfs/dbraw/zinc/64/12/32/732641232.db2.gz CUWSHNKQHLJFLW-AWEZNQCLSA-N 1 3 370.538 2.619 20 0 FFADHO CSc1cccc(F)c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664866676 732641235 /nfs/dbraw/zinc/64/12/35/732641235.db2.gz CUWSHNKQHLJFLW-AWEZNQCLSA-N 1 3 370.538 2.619 20 0 FFADHO C[NH+](C)Cc1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000666284241 732826482 /nfs/dbraw/zinc/82/64/82/732826482.db2.gz SBYKTQGOSMRZJM-GJZGRUSLSA-N 1 3 360.376 2.671 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC[C@H]1[NH3+] ZINC000669279381 733207522 /nfs/dbraw/zinc/20/75/22/733207522.db2.gz DNQURYJRXYJMRW-DJIMGWMZSA-N 1 3 352.548 2.900 20 0 FFADHO COc1ccc(CNCCC[N@@H+]2CCCN(C)CC2)c(Br)c1 ZINC000671708322 733458619 /nfs/dbraw/zinc/45/86/19/733458619.db2.gz PDCIDSDNSYTLEU-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO COc1ccc(CNCCC[N@H+]2CCCN(C)CC2)c(Br)c1 ZINC000671708322 733458622 /nfs/dbraw/zinc/45/86/22/733458622.db2.gz PDCIDSDNSYTLEU-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO Cc1csc(C[C@@H]2CCC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000886858045 733849936 /nfs/dbraw/zinc/84/99/36/733849936.db2.gz KGXOVFUARBPLDU-FHWLQOOXSA-N 1 3 359.539 2.637 20 0 FFADHO Cc1csc(C[C@@H]2CCC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000886858045 733849940 /nfs/dbraw/zinc/84/99/40/733849940.db2.gz KGXOVFUARBPLDU-FHWLQOOXSA-N 1 3 359.539 2.637 20 0 FFADHO C[NH+](C)CCOCCN[C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000683691381 734175927 /nfs/dbraw/zinc/17/59/27/734175927.db2.gz CBPNBNQKDHNYCO-DLBZAZTESA-N 1 3 371.319 2.837 20 0 FFADHO C[NH+](C)CCOCCN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000683691387 734176014 /nfs/dbraw/zinc/17/60/14/734176014.db2.gz CBPNBNQKDHNYCO-SJORKVTESA-N 1 3 371.319 2.837 20 0 FFADHO Cc1ccc([C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000727085649 734464957 /nfs/dbraw/zinc/46/49/57/734464957.db2.gz QZPIVTGXIIZCPK-QGZVFWFLSA-N 1 3 350.576 2.650 20 0 FFADHO [NH3+]CCCC[C@@H](NCCNC(=O)c1ccco1)c1ccc(F)cc1F ZINC000902335990 735934012 /nfs/dbraw/zinc/93/40/12/735934012.db2.gz VHEAYQKEAGOUIG-MRXNPFEDSA-N 1 3 351.397 2.748 20 0 FFADHO CCOC(=O)N1CC[C@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374238 735938914 /nfs/dbraw/zinc/93/89/14/735938914.db2.gz KPHJJDPSPVJOIT-YOEHRIQHSA-N 1 3 355.429 2.955 20 0 FFADHO CC(C)(CCN[C@H](CCCC[NH3+])c1ccc(F)cc1F)S(C)(=O)=O ZINC000902390542 735941312 /nfs/dbraw/zinc/94/13/12/735941312.db2.gz MVTPYIXIWGZCNW-MRXNPFEDSA-N 1 3 362.486 2.938 20 0 FFADHO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000903722541 736159394 /nfs/dbraw/zinc/15/93/94/736159394.db2.gz MFRXORIICRJSPA-LSZYVWPRSA-N 1 3 371.308 2.652 20 0 FFADHO Clc1ccccc1OC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903753574 736162481 /nfs/dbraw/zinc/16/24/81/736162481.db2.gz WLOVLESQLVFGBI-APWZRJJASA-N 1 3 350.890 2.952 20 0 FFADHO FC(F)(F)[C@@H]1CCC[C@@H](CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)O1 ZINC000903775020 736165634 /nfs/dbraw/zinc/16/56/34/736165634.db2.gz FHBOCCAKRDFMDR-PMPSAXMXSA-N 1 3 350.425 2.577 20 0 FFADHO c1csc(-c2noc(CCC[N@@H+]3CCNCCC34CCOCC4)n2)c1 ZINC000903815752 736170310 /nfs/dbraw/zinc/17/03/10/736170310.db2.gz RSTBLPWEKAEXQQ-UHFFFAOYSA-N 1 3 362.499 2.575 20 0 FFADHO c1csc(-c2noc(CCC[N@H+]3CCNCCC34CCOCC4)n2)c1 ZINC000903815752 736170312 /nfs/dbraw/zinc/17/03/12/736170312.db2.gz RSTBLPWEKAEXQQ-UHFFFAOYSA-N 1 3 362.499 2.575 20 0 FFADHO O=C(Cc1ccccc1Cl)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904490 736185931 /nfs/dbraw/zinc/18/59/31/736185931.db2.gz WHKMGVSEUOJJCY-ZNXRZULTSA-N 1 3 361.917 2.557 20 0 FFADHO COc1ccc(OC(F)F)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000904391464 736248283 /nfs/dbraw/zinc/24/82/83/736248283.db2.gz GNXMOLRXIISIFI-OAHLLOKOSA-N 1 3 356.413 2.626 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760476669 736642462 /nfs/dbraw/zinc/64/24/62/736642462.db2.gz CQMVMSGTOYFWHH-VQIMIIECSA-N 1 3 360.571 2.628 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@H](O)c1ccccc1C(F)(F)F)CC2 ZINC000923440548 738284195 /nfs/dbraw/zinc/28/41/95/738284195.db2.gz ITNOSJNGRPYABE-BBRMVZONSA-N 1 3 358.404 2.569 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000787309122 739125549 /nfs/dbraw/zinc/12/55/49/739125549.db2.gz QZPUTDHYUZMVKB-JVPBZIDWSA-N 1 3 356.457 2.725 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931910252 739351471 /nfs/dbraw/zinc/35/14/71/739351471.db2.gz CHOAYOZHTSGFAE-HNNXBMFYSA-N 1 3 351.432 2.769 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931910252 739351475 /nfs/dbraw/zinc/35/14/75/739351475.db2.gz CHOAYOZHTSGFAE-HNNXBMFYSA-N 1 3 351.432 2.769 20 0 FFADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(Cl)n1 ZINC000934212435 739746630 /nfs/dbraw/zinc/74/66/30/739746630.db2.gz WHOAZBDFWRBLGQ-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000960008400 740608181 /nfs/dbraw/zinc/60/81/81/740608181.db2.gz PGBUMFNFCKAQGY-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccc(Cl)nc2)CC[N@H+]1C ZINC000960008400 740608184 /nfs/dbraw/zinc/60/81/84/740608184.db2.gz PGBUMFNFCKAQGY-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO Cc1nsc(C)c1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960011540 740608659 /nfs/dbraw/zinc/60/86/59/740608659.db2.gz SHTLBUIPKCUOOW-HYVNUMGLSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nsc(C)c1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960011540 740608662 /nfs/dbraw/zinc/60/86/62/740608662.db2.gz SHTLBUIPKCUOOW-HYVNUMGLSA-N 1 3 364.559 2.571 20 0 FFADHO COCOc1ccc(OC)cc1CNCC1(SC)CC[NH+](C)CC1 ZINC000810169917 741394384 /nfs/dbraw/zinc/39/43/84/741394384.db2.gz CAROVGYZCVWKDX-UHFFFAOYSA-N 1 3 354.516 2.595 20 0 FFADHO O[C@@H](CN1CC[C@@H](Cc2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000814677285 741856539 /nfs/dbraw/zinc/85/65/39/741856539.db2.gz UGWZSWSPZCWPDS-FUHWJXTLSA-N 1 3 367.331 2.770 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC000999189067 742054524 /nfs/dbraw/zinc/05/45/24/742054524.db2.gz HMOACUWPWRNARS-FVQBIDKESA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC000999189067 742054528 /nfs/dbraw/zinc/05/45/28/742054528.db2.gz HMOACUWPWRNARS-FVQBIDKESA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN(CCC(F)(F)F)CC3)CC2)CC[N@@H+]1C ZINC001000160289 742078496 /nfs/dbraw/zinc/07/84/96/742078496.db2.gz FIJWFECMTGDWPC-UKRRQHHQSA-N 1 3 361.452 2.640 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN(CCC(F)(F)F)CC3)CC2)CC[N@H+]1C ZINC001000160289 742078502 /nfs/dbraw/zinc/07/85/02/742078502.db2.gz FIJWFECMTGDWPC-UKRRQHHQSA-N 1 3 361.452 2.640 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000817928882 742222949 /nfs/dbraw/zinc/22/29/49/742222949.db2.gz HFICEVHRTZKRIC-MWDXBVQZSA-N 1 3 353.304 2.993 20 0 FFADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000819173995 742347882 /nfs/dbraw/zinc/34/78/82/742347882.db2.gz NJOMKBVESDTXET-QYZOEREBSA-N 1 3 352.906 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC001020170868 742535785 /nfs/dbraw/zinc/53/57/85/742535785.db2.gz BCHIMEBSUVRWLB-RAEVTNRLSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC001020170868 742535787 /nfs/dbraw/zinc/53/57/87/742535787.db2.gz BCHIMEBSUVRWLB-RAEVTNRLSA-N 1 3 353.869 2.556 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC001022109502 742644500 /nfs/dbraw/zinc/64/45/00/742644500.db2.gz OAOFJOLBIVNLSH-QSJFSLAZSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC001022109502 742644503 /nfs/dbraw/zinc/64/45/03/742644503.db2.gz OAOFJOLBIVNLSH-QSJFSLAZSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)CC[N@@H+]1C ZINC001041307334 743042806 /nfs/dbraw/zinc/04/28/06/743042806.db2.gz PFQJJKLXGFZWDG-NSHGMRRFSA-N 1 3 361.555 2.903 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)CC[N@H+]1C ZINC001041307334 743042815 /nfs/dbraw/zinc/04/28/15/743042815.db2.gz PFQJJKLXGFZWDG-NSHGMRRFSA-N 1 3 361.555 2.903 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(Cc4cccc(Cl)c4)C[C@H]3C2)CC[N@@H+]1C ZINC001048829754 743430660 /nfs/dbraw/zinc/43/06/60/743430660.db2.gz VWONBCGULZRXPD-VYCZESIESA-N 1 3 361.917 2.570 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(Cc4cccc(Cl)c4)C[C@H]3C2)CC[N@H+]1C ZINC001048829754 743430665 /nfs/dbraw/zinc/43/06/65/743430665.db2.gz VWONBCGULZRXPD-VYCZESIESA-N 1 3 361.917 2.570 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827814489 744983289 /nfs/dbraw/zinc/98/32/89/744983289.db2.gz GBVPACKHIVQUHV-ZBFHGGJFSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827889876 744997571 /nfs/dbraw/zinc/99/75/71/744997571.db2.gz NXFOWWXCIZRKGB-ZBFHGGJFSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000827889876 744997573 /nfs/dbraw/zinc/99/75/73/744997573.db2.gz NXFOWWXCIZRKGB-ZBFHGGJFSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc(Cl)n1 ZINC000828501927 745076154 /nfs/dbraw/zinc/07/61/54/745076154.db2.gz HYMAHAJKSMUHHU-DLBZAZTESA-N 1 3 364.921 2.910 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000831412404 745526031 /nfs/dbraw/zinc/52/60/31/745526031.db2.gz RWROMVUWCJSGNN-MRXNPFEDSA-N 1 3 357.420 2.723 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(CCC[NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000841850191 747475851 /nfs/dbraw/zinc/47/58/51/747475851.db2.gz CMOAVLUNXDFWIE-QGZVFWFLSA-N 1 3 360.889 2.811 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc(Cl)n1 ZINC000841851452 747476559 /nfs/dbraw/zinc/47/65/59/747476559.db2.gz QEXMGINCFXDUFB-AWEZNQCLSA-N 1 3 362.836 2.857 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(Cl)c1Cl ZINC000849064541 749044364 /nfs/dbraw/zinc/04/43/64/749044364.db2.gz JMSZUKWVXAJUPE-LBPRGKRZSA-N 1 3 359.301 2.970 20 0 FFADHO CCOc1cccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000849276586 749084207 /nfs/dbraw/zinc/08/42/07/749084207.db2.gz LPOPLMFUNLOKHI-HNNXBMFYSA-N 1 3 352.548 2.644 20 0 FFADHO CCOc1cccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000849276586 749084211 /nfs/dbraw/zinc/08/42/11/749084211.db2.gz LPOPLMFUNLOKHI-HNNXBMFYSA-N 1 3 352.548 2.644 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc(Cl)n1 ZINC000852837239 749962875 /nfs/dbraw/zinc/96/28/75/749962875.db2.gz RWKMJBYCWMBZSC-DOTOQJQBSA-N 1 3 364.921 2.672 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2nc(C)c(C)s2)C1 ZINC001104873654 971059286 /nfs/dbraw/zinc/05/92/86/971059286.db2.gz DDLNMBIIPUIZDQ-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2nc(C)c(C)s2)C1 ZINC001104873654 971059294 /nfs/dbraw/zinc/05/92/94/971059294.db2.gz DDLNMBIIPUIZDQ-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCN(C(=O)Nc1ccccc1OCC[NH+](CC)CC)[C@@H]1CCN(C)C1 ZINC000665434870 971236849 /nfs/dbraw/zinc/23/68/49/971236849.db2.gz OQIRPQIJCHTURK-QGZVFWFLSA-N 1 3 362.518 2.965 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cnccc3C)C[C@H]2C1 ZINC001087986510 971675365 /nfs/dbraw/zinc/67/53/65/971675365.db2.gz OYPYLVXZDOYANN-GIVPXCGWSA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cnccc3C)C[C@H]2C1 ZINC001087986510 971675368 /nfs/dbraw/zinc/67/53/68/971675368.db2.gz OYPYLVXZDOYANN-GIVPXCGWSA-N 1 3 370.541 2.545 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896735172 971683576 /nfs/dbraw/zinc/68/35/76/971683576.db2.gz GPUJWKNHWKBMIV-YLJYHZDGSA-N 1 3 361.530 2.925 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000660420722 971843461 /nfs/dbraw/zinc/84/34/61/971843461.db2.gz UNFIOJYBPBAJSB-RBUKOAKNSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000660420722 971843470 /nfs/dbraw/zinc/84/34/70/971843470.db2.gz UNFIOJYBPBAJSB-RBUKOAKNSA-N 1 3 358.530 2.823 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088010673 971843468 /nfs/dbraw/zinc/84/34/68/971843468.db2.gz FLRDZALETRTBQV-QHAWAJNXSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001088010673 971843474 /nfs/dbraw/zinc/84/34/74/971843474.db2.gz FLRDZALETRTBQV-QHAWAJNXSA-N 1 3 357.542 2.870 20 0 FFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cc1C ZINC000974603989 972038108 /nfs/dbraw/zinc/03/81/08/972038108.db2.gz CRLJPFMSRJBHIF-RLLQIKCJSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cc1C ZINC000974603989 972038114 /nfs/dbraw/zinc/03/81/14/972038114.db2.gz CRLJPFMSRJBHIF-RLLQIKCJSA-N 1 3 357.542 2.970 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCCC2CC[NH2+]CC2)N2CCCC2)c1 ZINC000652119897 972186007 /nfs/dbraw/zinc/18/60/07/972186007.db2.gz GMTYVBHAYAALFR-FQEVSTJZSA-N 1 3 374.529 2.521 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2F)N(C)C)cc1 ZINC000652119585 972190778 /nfs/dbraw/zinc/19/07/78/972190778.db2.gz MLIPUWWDGUBRNC-HXUWFJFHSA-N 1 3 372.488 2.949 20 0 FFADHO CC(C)c1cc([C@@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n[nH]1 ZINC000872146391 1013153618 /nfs/dbraw/zinc/15/36/18/1013153618.db2.gz MUSXUNFJIIRIOH-LQWHRVPQSA-N 1 3 356.514 2.643 20 0 FFADHO CC(C)c1cc([C@@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)[nH]n1 ZINC000872146391 1013153628 /nfs/dbraw/zinc/15/36/28/1013153628.db2.gz MUSXUNFJIIRIOH-LQWHRVPQSA-N 1 3 356.514 2.643 20 0 FFADHO CCC(CC)n1nccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119681259 959773918 /nfs/dbraw/zinc/77/39/18/959773918.db2.gz LMGJJMUAZUGVJT-UHFFFAOYSA-N 1 3 361.534 2.533 20 0 FFADHO c1cnn(Cc2cccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)c2)c1 ZINC000655697861 961098414 /nfs/dbraw/zinc/09/84/14/961098414.db2.gz UBGCCOAIYLDMEQ-NRFANRHFSA-N 1 3 354.498 2.664 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCc1ccccc1 ZINC001104291634 962339687 /nfs/dbraw/zinc/33/96/87/962339687.db2.gz QOYFPYYTHIBHJE-UIFIKXQLSA-N 1 3 357.542 2.644 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C4(CCC4)C3)cc2)CC1 ZINC000649370456 1013381420 /nfs/dbraw/zinc/38/14/20/1013381420.db2.gz OYQMJVSJBNEPBD-LJQANCHMSA-N 1 3 370.541 2.622 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001087134949 963083775 /nfs/dbraw/zinc/08/37/75/963083775.db2.gz LQGPPPNKIGSMAS-PVAVHDDUSA-N 1 3 364.921 2.546 20 0 FFADHO Cc1cccnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322465 963287949 /nfs/dbraw/zinc/28/79/49/963287949.db2.gz LSVJMGASBZZONZ-GGPKGHCWSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1ccc(F)c(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1Cl ZINC001276078486 1013411066 /nfs/dbraw/zinc/41/10/66/1013411066.db2.gz NRPPFJCRDUWUAL-LJQANCHMSA-N 1 3 367.896 2.774 20 0 FFADHO C[C@H](CCc1ccccc1F)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218795 1013432736 /nfs/dbraw/zinc/43/27/36/1013432736.db2.gz QZDLTGPGWXZRMO-OAHLLOKOSA-N 1 3 353.445 2.976 20 0 FFADHO c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CN2 ZINC000684202608 963666375 /nfs/dbraw/zinc/66/63/75/963666375.db2.gz WAKJYRMFKUPTIX-TUFLPTIASA-N 1 3 365.525 2.815 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1)N(C)C ZINC001104346805 963694850 /nfs/dbraw/zinc/69/48/50/963694850.db2.gz KBMLPXGAPAUEIL-CDHQVMDDSA-N 1 3 360.546 2.613 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000960644630 1013439350 /nfs/dbraw/zinc/43/93/50/1013439350.db2.gz PZJCIHBTRPPUIX-HSALFYBXSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000960644630 1013439357 /nfs/dbraw/zinc/43/93/57/1013439357.db2.gz PZJCIHBTRPPUIX-HSALFYBXSA-N 1 3 361.505 2.979 20 0 FFADHO Cc1c([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cnn1C(C)C ZINC000873244323 1013443956 /nfs/dbraw/zinc/44/39/56/1013443956.db2.gz RDIOLSMSFKBLQZ-AWEZNQCLSA-N 1 3 353.474 2.663 20 0 FFADHO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCC2 ZINC000873247486 1013447679 /nfs/dbraw/zinc/44/76/79/1013447679.db2.gz NYSQGECRXSEXAV-OAQYLSRUSA-N 1 3 363.465 2.902 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000891411699 963898518 /nfs/dbraw/zinc/89/85/18/963898518.db2.gz OZVMRUVELSJBIY-SCQOQHIRSA-N 1 3 356.514 2.652 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2ncc(C)s2)C1 ZINC001104362786 964085145 /nfs/dbraw/zinc/08/51/45/964085145.db2.gz JIWWUHVNITYABS-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2ncc(C)s2)C1 ZINC001104362786 964085160 /nfs/dbraw/zinc/08/51/60/964085160.db2.gz JIWWUHVNITYABS-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)s2)C1 ZINC001104363017 964089380 /nfs/dbraw/zinc/08/93/80/964089380.db2.gz VFAXNUZVOBRABI-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnccc2C)C1 ZINC001104363076 964092673 /nfs/dbraw/zinc/09/26/73/964092673.db2.gz YBUCEPKLEKBADM-QZTJIDSGSA-N 1 3 360.546 2.695 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873304838 1013471273 /nfs/dbraw/zinc/47/12/73/1013471273.db2.gz AYTHWNSSZUMQPJ-UYAOXDASSA-N 1 3 374.554 2.684 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC000971566444 964179955 /nfs/dbraw/zinc/17/99/55/964179955.db2.gz FUOZJUXKKHMGTG-SLFFLAALSA-N 1 3 361.505 2.919 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC000971566444 964179961 /nfs/dbraw/zinc/17/99/61/964179961.db2.gz FUOZJUXKKHMGTG-SLFFLAALSA-N 1 3 361.505 2.919 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000664407699 964282467 /nfs/dbraw/zinc/28/24/67/964282467.db2.gz JZWOUTYQSWDFAM-QRWLVFNGSA-N 1 3 365.481 2.529 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000664407699 964282474 /nfs/dbraw/zinc/28/24/74/964282474.db2.gz JZWOUTYQSWDFAM-QRWLVFNGSA-N 1 3 365.481 2.529 20 0 FFADHO CCN1CCN(c2ccc(Nc3c[nH+]ccc3N3CCOCC3)cc2)CC1 ZINC001175781064 1013558296 /nfs/dbraw/zinc/55/82/96/1013558296.db2.gz DXASWWLJUVTSNB-UHFFFAOYSA-N 1 3 367.497 2.804 20 0 FFADHO CC(C)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087469256 965291328 /nfs/dbraw/zinc/29/13/28/965291328.db2.gz SDCFCYPIIURRHF-NSISKUIASA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001087469256 965291346 /nfs/dbraw/zinc/29/13/46/965291346.db2.gz SDCFCYPIIURRHF-NSISKUIASA-N 1 3 361.505 2.850 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc3c2OCC3)CC1 ZINC000894451147 965377755 /nfs/dbraw/zinc/37/77/55/965377755.db2.gz CWYLVXFEBXTZJS-UHFFFAOYSA-N 1 3 373.541 2.682 20 0 FFADHO CN1CC[C@H](N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000664836874 965575821 /nfs/dbraw/zinc/57/58/21/965575821.db2.gz RNQFZKYLQOGACP-VQTJNVASSA-N 1 3 355.526 2.840 20 0 FFADHO O=C1CC[C@H]2[C@H](CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)N1CC1CC1 ZINC001167988119 966070557 /nfs/dbraw/zinc/07/05/57/966070557.db2.gz ICXMKEXWSFVAPQ-CADMSHOASA-N 1 3 357.542 2.867 20 0 FFADHO O=C1CC[C@H]2[C@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)N1CC1CC1 ZINC001167988119 966070571 /nfs/dbraw/zinc/07/05/71/966070571.db2.gz ICXMKEXWSFVAPQ-CADMSHOASA-N 1 3 357.542 2.867 20 0 FFADHO CO[C@H]1CC[C@H]([NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001167529205 966076717 /nfs/dbraw/zinc/07/67/17/966076717.db2.gz DLXCEDOCGXRABP-SFTDATJTSA-N 1 3 373.541 2.514 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cn(C)nc1C1CC1 ZINC000892152318 966086035 /nfs/dbraw/zinc/08/60/35/966086035.db2.gz WISJZPMNPAFFNS-UHFFFAOYSA-N 1 3 373.589 2.926 20 0 FFADHO O=C1Nc2ccccc2[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988660 966101968 /nfs/dbraw/zinc/10/19/68/966101968.db2.gz LUZDGVKDXOAWQX-XSHPBHPISA-N 1 3 351.494 2.988 20 0 FFADHO O=C1Nc2ccccc2[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988660 966101974 /nfs/dbraw/zinc/10/19/74/966101974.db2.gz LUZDGVKDXOAWQX-XSHPBHPISA-N 1 3 351.494 2.988 20 0 FFADHO O=C1Nc2ccccc2[C@]12CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988660 966101976 /nfs/dbraw/zinc/10/19/76/966101976.db2.gz LUZDGVKDXOAWQX-XSHPBHPISA-N 1 3 351.494 2.988 20 0 FFADHO O=C1Nc2ccccc2[C@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988660 966101982 /nfs/dbraw/zinc/10/19/82/966101982.db2.gz LUZDGVKDXOAWQX-XSHPBHPISA-N 1 3 351.494 2.988 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C2CC[NH+](C)CC2)sn1 ZINC001087207863 966433084 /nfs/dbraw/zinc/43/30/84/966433084.db2.gz AHPKZEGBGUDWKQ-PBHICJAKSA-N 1 3 364.559 2.510 20 0 FFADHO COc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc(OC)c1 ZINC000657595287 966941007 /nfs/dbraw/zinc/94/10/07/966941007.db2.gz OGGMXWOWEYXQFW-LJQANCHMSA-N 1 3 356.466 2.560 20 0 FFADHO COc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc(OC)c1 ZINC000657595287 966941012 /nfs/dbraw/zinc/94/10/12/966941012.db2.gz OGGMXWOWEYXQFW-LJQANCHMSA-N 1 3 356.466 2.560 20 0 FFADHO Cc1cn2c(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)c(C)nc2s1 ZINC000657596066 966942214 /nfs/dbraw/zinc/94/22/14/966942214.db2.gz UKRAFIWYAAMUKP-GOSISDBHSA-N 1 3 370.522 2.869 20 0 FFADHO Cc1cn2c(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)c(C)nc2s1 ZINC000657596066 966942215 /nfs/dbraw/zinc/94/22/15/966942215.db2.gz UKRAFIWYAAMUKP-GOSISDBHSA-N 1 3 370.522 2.869 20 0 FFADHO c1ccc(N2CCN(CC3(N[C@H]4CC[N@@H+]5CCC[C@@H]5C4)CC3)CC2)cc1 ZINC000657705001 967111874 /nfs/dbraw/zinc/11/18/74/967111874.db2.gz VXGLGSKGDOYNSD-PZJWPPBQSA-N 1 3 354.542 2.558 20 0 FFADHO c1ccc(N2CCN(CC3(N[C@H]4CC[N@H+]5CCC[C@@H]5C4)CC3)CC2)cc1 ZINC000657705001 967111877 /nfs/dbraw/zinc/11/18/77/967111877.db2.gz VXGLGSKGDOYNSD-PZJWPPBQSA-N 1 3 354.542 2.558 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1CC ZINC001087593569 968282265 /nfs/dbraw/zinc/28/22/65/968282265.db2.gz LNKOSOKBFNKGFY-ZCNNSNEGSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1CC ZINC001087593569 968282272 /nfs/dbraw/zinc/28/22/72/968282272.db2.gz LNKOSOKBFNKGFY-ZCNNSNEGSA-N 1 3 365.562 2.647 20 0 FFADHO CN(C[C@@H](O)C[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CC1 ZINC000685573353 968313315 /nfs/dbraw/zinc/31/33/15/968313315.db2.gz JFGPTSYFIGNKMP-SFTDATJTSA-N 1 3 359.558 2.504 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H]1CCOC1 ZINC000658077883 968526936 /nfs/dbraw/zinc/52/69/36/968526936.db2.gz RTDAKHUDTVIKRD-CDJZJNNCSA-N 1 3 358.526 2.928 20 0 FFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000892433131 968666402 /nfs/dbraw/zinc/66/64/02/968666402.db2.gz YXDVHBAMGTWMEF-PMACEKPBSA-N 1 3 362.562 2.909 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(OCc2ccccc2F)c1 ZINC000647493023 969249302 /nfs/dbraw/zinc/24/93/02/969249302.db2.gz PFQPQBMTQZHHIU-UHFFFAOYSA-N 1 3 357.473 2.742 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659030038 969645404 /nfs/dbraw/zinc/64/54/04/969645404.db2.gz FWDKQISTTIYJND-FQEVSTJZSA-N 1 3 374.529 2.933 20 0 FFADHO C[C@@H](CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000659037676 969656045 /nfs/dbraw/zinc/65/60/45/969656045.db2.gz JHRTYHBNJFARJN-LPHOPBHVSA-N 1 3 360.502 2.734 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659317303 969825398 /nfs/dbraw/zinc/82/53/98/969825398.db2.gz JXGPJALKPYHGAN-FQEVSTJZSA-N 1 3 355.457 2.951 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351857 969846111 /nfs/dbraw/zinc/84/61/11/969846111.db2.gz SIRRRTWNRAOGIU-ZCNNSNEGSA-N 1 3 353.441 2.622 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659426828 969917410 /nfs/dbraw/zinc/91/74/10/969917410.db2.gz FEVKRHFZRILLPU-NHCUHLMSSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)[C@H]1c1ccccc1 ZINC000659473780 969969995 /nfs/dbraw/zinc/96/99/95/969969995.db2.gz MYSOPPCWPMNVSW-PCCBWWKXSA-N 1 3 370.541 2.853 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2)C1)N(C)C ZINC001104641291 970010140 /nfs/dbraw/zinc/01/01/40/970010140.db2.gz JWBQODZHUCZERQ-HMXCVIKNSA-N 1 3 359.558 2.890 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001104680118 970082988 /nfs/dbraw/zinc/08/29/88/970082988.db2.gz PSRSWQDUHZWEGV-RRFJBIMHSA-N 1 3 362.345 2.721 20 0 FFADHO CC(C)OCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104683528 970100316 /nfs/dbraw/zinc/10/03/16/970100316.db2.gz LWLRKHPUKHCUHO-RTBURBONSA-N 1 3 369.594 2.854 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2F)C1)N(C)C ZINC001104691727 970112123 /nfs/dbraw/zinc/11/21/23/970112123.db2.gz TVJAUKANBQJTCU-KYJSFNMBSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001104732341 970188827 /nfs/dbraw/zinc/18/88/27/970188827.db2.gz UTSUHTXYRBBZOX-OAGGEKHMSA-N 1 3 368.472 2.852 20 0 FFADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)cc1 ZINC001104732036 970192657 /nfs/dbraw/zinc/19/26/57/970192657.db2.gz KFYVONMDKMLJDZ-HLLBOEOZSA-N 1 3 358.461 2.927 20 0 FFADHO Cc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c2c(n1)CCCC2 ZINC000892763617 970277707 /nfs/dbraw/zinc/27/77/07/970277707.db2.gz WHRWVFFUQLLOCL-UHFFFAOYSA-N 1 3 356.558 2.917 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(Cc2ccc3cc[nH]c3c2)C2CC2)CC[N@@H+]1C ZINC001481169256 970296035 /nfs/dbraw/zinc/29/60/35/970296035.db2.gz LTNWYPLAZKPFCA-PZJWPPBQSA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(Cc2ccc3cc[nH]c3c2)C2CC2)CC[N@H+]1C ZINC001481169256 970296041 /nfs/dbraw/zinc/29/60/41/970296041.db2.gz LTNWYPLAZKPFCA-PZJWPPBQSA-N 1 3 368.525 2.979 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C2)cs1 ZINC001088095330 972735053 /nfs/dbraw/zinc/73/50/53/972735053.db2.gz HMEDHMBHFPYTDD-CEXWTWQISA-N 1 3 363.571 2.923 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C2)cs1 ZINC001088095330 972735061 /nfs/dbraw/zinc/73/50/61/972735061.db2.gz HMEDHMBHFPYTDD-CEXWTWQISA-N 1 3 363.571 2.923 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001088106063 972819762 /nfs/dbraw/zinc/81/97/62/972819762.db2.gz MBGRTOTWJDEZQE-JNLLAKFHSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001088106063 972819774 /nfs/dbraw/zinc/81/97/74/972819774.db2.gz MBGRTOTWJDEZQE-JNLLAKFHSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC5(CCC5)C4)CC[C@@H]3C2)C1 ZINC001088106819 972825175 /nfs/dbraw/zinc/82/51/75/972825175.db2.gz SJIAFFOMFNVXOV-SXLOBPIMSA-N 1 3 359.558 2.689 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC5(CCC5)C4)CC[C@@H]3C2)C1 ZINC001088106819 972825187 /nfs/dbraw/zinc/82/51/87/972825187.db2.gz SJIAFFOMFNVXOV-SXLOBPIMSA-N 1 3 359.558 2.689 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCc4ccccc4)CC[C@@H]3C2)C1 ZINC001088106678 972826333 /nfs/dbraw/zinc/82/63/33/972826333.db2.gz MAZFXYDOEZPXAH-FCEUIQTBSA-N 1 3 369.553 2.741 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCc4ccccc4)CC[C@@H]3C2)C1 ZINC001088106678 972826338 /nfs/dbraw/zinc/82/63/38/972826338.db2.gz MAZFXYDOEZPXAH-FCEUIQTBSA-N 1 3 369.553 2.741 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660989850 973326023 /nfs/dbraw/zinc/32/60/23/973326023.db2.gz BVEHIFUDLHOKNJ-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660989850 973326031 /nfs/dbraw/zinc/32/60/31/973326031.db2.gz BVEHIFUDLHOKNJ-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnccc3C)CC[C@@H]2C1 ZINC001088211387 973665492 /nfs/dbraw/zinc/66/54/92/973665492.db2.gz HNMGGKUPUTWXBV-GIVPXCGWSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnccc3C)CC[C@@H]2C1 ZINC001088211387 973665497 /nfs/dbraw/zinc/66/54/97/973665497.db2.gz HNMGGKUPUTWXBV-GIVPXCGWSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000669583526 973770210 /nfs/dbraw/zinc/77/02/10/973770210.db2.gz SDWIKFTXLNHOIW-NDXORKPFSA-N 1 3 366.509 2.864 20 0 FFADHO Cc1ccccc1[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665640451 973799283 /nfs/dbraw/zinc/79/92/83/973799283.db2.gz VEKFOGFRGYLBSS-OALUTQOASA-N 1 3 360.546 2.766 20 0 FFADHO Cc1ccccc1[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665640451 973799293 /nfs/dbraw/zinc/79/92/93/973799293.db2.gz VEKFOGFRGYLBSS-OALUTQOASA-N 1 3 360.546 2.766 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000897299778 974043916 /nfs/dbraw/zinc/04/39/16/974043916.db2.gz QDVJXCXFAVLUCH-IBGZPJMESA-N 1 3 359.514 2.821 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000897299778 974043930 /nfs/dbraw/zinc/04/39/30/974043930.db2.gz QDVJXCXFAVLUCH-IBGZPJMESA-N 1 3 359.514 2.821 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000665759402 974088119 /nfs/dbraw/zinc/08/81/19/974088119.db2.gz FLQHVHMAGVGUCW-NSHGMRRFSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000665759402 974088127 /nfs/dbraw/zinc/08/81/27/974088127.db2.gz FLQHVHMAGVGUCW-NSHGMRRFSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764018 974092687 /nfs/dbraw/zinc/09/26/87/974092687.db2.gz RPEPLPGKUVYTBW-DLBZAZTESA-N 1 3 366.525 2.670 20 0 FFADHO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764018 974092692 /nfs/dbraw/zinc/09/26/92/974092692.db2.gz RPEPLPGKUVYTBW-DLBZAZTESA-N 1 3 366.525 2.670 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662800441 974121643 /nfs/dbraw/zinc/12/16/43/974121643.db2.gz DIOVOOILUWNLRJ-MRXNPFEDSA-N 1 3 364.493 2.683 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)ccc21 ZINC000662838711 974293083 /nfs/dbraw/zinc/29/30/83/974293083.db2.gz NNIUYFXZQJCPLI-ICSRJNTNSA-N 1 3 354.498 2.737 20 0 FFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346331 974942110 /nfs/dbraw/zinc/94/21/10/974942110.db2.gz YYSUEKTXKDLUEN-SAJDGTNDSA-N 1 3 371.525 2.573 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291666 975407743 /nfs/dbraw/zinc/40/77/43/975407743.db2.gz XBWXEJCXMSVEMJ-QFBILLFUSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294206 975407915 /nfs/dbraw/zinc/40/79/15/975407915.db2.gz CAZQCMUNISRYKJ-ICSRJNTNSA-N 1 3 373.541 2.590 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662661758 975798414 /nfs/dbraw/zinc/79/84/14/975798414.db2.gz VMPXOZPJSNXREM-IRLDBZIGSA-N 1 3 363.505 2.996 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662661758 975798422 /nfs/dbraw/zinc/79/84/22/975798422.db2.gz VMPXOZPJSNXREM-IRLDBZIGSA-N 1 3 363.505 2.996 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663420186 975848844 /nfs/dbraw/zinc/84/88/44/975848844.db2.gz LYXQVXHNZRSGNV-UYAOXDASSA-N 1 3 358.530 2.711 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663420186 975848853 /nfs/dbraw/zinc/84/88/53/975848853.db2.gz LYXQVXHNZRSGNV-UYAOXDASSA-N 1 3 358.530 2.711 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000653260863 1014288211 /nfs/dbraw/zinc/28/82/11/1014288211.db2.gz MAIOFSLUFQNEGV-NJYVYQBISA-N 1 3 371.525 2.783 20 0 FFADHO COc1nccc2cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc21 ZINC000667187658 975922430 /nfs/dbraw/zinc/92/24/30/975922430.db2.gz NJORGSVQRCSTJT-HNNXBMFYSA-N 1 3 373.501 2.637 20 0 FFADHO COc1nccc2cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc21 ZINC000667187658 975922437 /nfs/dbraw/zinc/92/24/37/975922437.db2.gz NJORGSVQRCSTJT-HNNXBMFYSA-N 1 3 373.501 2.637 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)N1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001167823375 976020926 /nfs/dbraw/zinc/02/09/26/976020926.db2.gz KXUJYZXGSQDKEN-XLIONFOSSA-N 1 3 366.550 2.585 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001088792210 976306185 /nfs/dbraw/zinc/30/61/85/976306185.db2.gz AFYJPFFZMDZFMW-OAGGEKHMSA-N 1 3 357.489 2.875 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001088792210 976306200 /nfs/dbraw/zinc/30/62/00/976306200.db2.gz AFYJPFFZMDZFMW-OAGGEKHMSA-N 1 3 357.489 2.875 20 0 FFADHO COc1ccc([C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000876710146 1014358343 /nfs/dbraw/zinc/35/83/43/1014358343.db2.gz FGZLAZFKLFBBBQ-SJNFWXFCSA-N 1 3 357.498 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cccnc2C)CC3)CC[N@@H+]1C ZINC000990759533 976932612 /nfs/dbraw/zinc/93/26/12/976932612.db2.gz CPRKYJMSPIVATM-CUXKYVRBSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cccnc2C)CC3)CC[N@H+]1C ZINC000990759533 976932621 /nfs/dbraw/zinc/93/26/21/976932621.db2.gz CPRKYJMSPIVATM-CUXKYVRBSA-N 1 3 370.541 2.734 20 0 FFADHO CN1CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000899127688 976950689 /nfs/dbraw/zinc/95/06/89/976950689.db2.gz LITZGZOVPFFIEE-HKBOAZHASA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000899127688 976950694 /nfs/dbraw/zinc/95/06/94/976950694.db2.gz LITZGZOVPFFIEE-HKBOAZHASA-N 1 3 370.541 2.634 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cnccc2C)CC3)CC[N@@H+]1C ZINC000990762367 976962797 /nfs/dbraw/zinc/96/27/97/976962797.db2.gz MDMPVXVCRYJFDR-HIUFNZKISA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cnccc2C)CC3)CC[N@H+]1C ZINC000990762367 976962808 /nfs/dbraw/zinc/96/28/08/976962808.db2.gz MDMPVXVCRYJFDR-HIUFNZKISA-N 1 3 370.541 2.734 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1cnc2c(c1)CNCC2)[NH+](C)C ZINC000667802450 977058711 /nfs/dbraw/zinc/05/87/11/977058711.db2.gz RAMRNQAVHFGMJQ-YWZLYKJASA-N 1 3 367.497 2.849 20 0 FFADHO CCC(CC)(CNC(=O)c1c(CN)cnn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000876762573 1014383121 /nfs/dbraw/zinc/38/31/21/1014383121.db2.gz CVPJCNAXAAZXCX-HNNXBMFYSA-N 1 3 357.502 2.518 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663785783 977348524 /nfs/dbraw/zinc/34/85/24/977348524.db2.gz ZKFOUAOSFJEMMQ-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663785783 977348531 /nfs/dbraw/zinc/34/85/31/977348531.db2.gz ZKFOUAOSFJEMMQ-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO COc1cccc(Cl)c1CNCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366333 977438248 /nfs/dbraw/zinc/43/82/48/977438248.db2.gz MWPWVYUONZZUII-RRFJBIMHSA-N 1 3 367.921 2.673 20 0 FFADHO COc1cccc(Cl)c1CNCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268366333 977438254 /nfs/dbraw/zinc/43/82/54/977438254.db2.gz MWPWVYUONZZUII-RRFJBIMHSA-N 1 3 367.921 2.673 20 0 FFADHO O=C1N=NCN1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000653651752 1014415198 /nfs/dbraw/zinc/41/51/98/1014415198.db2.gz XINAOYRQVLGIQI-UHFFFAOYSA-N 1 3 355.486 2.807 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000664016662 977871993 /nfs/dbraw/zinc/87/19/93/977871993.db2.gz OKGJJQXSGKPYMB-OCDPCBSRSA-N 1 3 360.546 2.678 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000664016662 977872004 /nfs/dbraw/zinc/87/20/04/977872004.db2.gz OKGJJQXSGKPYMB-OCDPCBSRSA-N 1 3 360.546 2.678 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087459512 977978576 /nfs/dbraw/zinc/97/85/76/977978576.db2.gz IMHKKYVDDGADLE-RTBURBONSA-N 1 3 359.489 2.606 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087459638 977979940 /nfs/dbraw/zinc/97/99/40/977979940.db2.gz OYVJGLLFTDVBRI-NSISKUIASA-N 1 3 361.505 2.852 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001087459638 977979945 /nfs/dbraw/zinc/97/99/45/977979945.db2.gz OYVJGLLFTDVBRI-NSISKUIASA-N 1 3 361.505 2.852 20 0 FFADHO COc1cc2ccnc(N[C@@H](C)CN(C)CCC[NH+](C)C)c2cc1OC ZINC000664196899 978343758 /nfs/dbraw/zinc/34/37/58/978343758.db2.gz WZWHQWTUPMDHIE-HNNXBMFYSA-N 1 3 360.502 2.936 20 0 FFADHO COc1cc2ccnc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c2cc1OC ZINC000664196899 978343770 /nfs/dbraw/zinc/34/37/70/978343770.db2.gz WZWHQWTUPMDHIE-HNNXBMFYSA-N 1 3 360.502 2.936 20 0 FFADHO COc1cc2ccnc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2cc1OC ZINC000664196899 978343776 /nfs/dbraw/zinc/34/37/76/978343776.db2.gz WZWHQWTUPMDHIE-HNNXBMFYSA-N 1 3 360.502 2.936 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCOc2cccc(C)c2)CC[N@@H+]1C ZINC001268731019 978378648 /nfs/dbraw/zinc/37/86/48/978378648.db2.gz LJCOJLVCVZJCIP-YZGWKJHDSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCOc2cccc(C)c2)CC[N@H+]1C ZINC001268731019 978378654 /nfs/dbraw/zinc/37/86/54/978378654.db2.gz LJCOJLVCVZJCIP-YZGWKJHDSA-N 1 3 361.530 2.541 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457390 979514240 /nfs/dbraw/zinc/51/42/40/979514240.db2.gz BLUNEZATEQLUCZ-ABSDTBQOSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457390 979514248 /nfs/dbraw/zinc/51/42/48/979514248.db2.gz BLUNEZATEQLUCZ-ABSDTBQOSA-N 1 3 359.489 2.509 20 0 FFADHO [NH3+]Cc1ccccc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000904640999 980316753 /nfs/dbraw/zinc/31/67/53/980316753.db2.gz SDGOSXMOUNJGIT-IBGZPJMESA-N 1 3 368.481 2.558 20 0 FFADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)C[C@H](O)c1ccccc1 ZINC000905027706 980373536 /nfs/dbraw/zinc/37/35/36/980373536.db2.gz QQEBWLKTVLSIHT-VXKWHMMOSA-N 1 3 354.494 2.857 20 0 FFADHO Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666424224 980854361 /nfs/dbraw/zinc/85/43/61/980854361.db2.gz IHVZCEWRPGLXEL-KRWDZBQOSA-N 1 3 363.550 2.763 20 0 FFADHO Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666424224 980854365 /nfs/dbraw/zinc/85/43/65/980854365.db2.gz IHVZCEWRPGLXEL-KRWDZBQOSA-N 1 3 363.550 2.763 20 0 FFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000648499199 980933377 /nfs/dbraw/zinc/93/33/77/980933377.db2.gz OYCHQKVERBWYGF-UXHICEINSA-N 1 3 359.514 2.559 20 0 FFADHO CN(C)Cc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)c1 ZINC000906752060 981136289 /nfs/dbraw/zinc/13/62/89/981136289.db2.gz GXLKKHQAYZDGCZ-UHFFFAOYSA-N 1 3 354.454 2.519 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000666686434 981216818 /nfs/dbraw/zinc/21/68/18/981216818.db2.gz PORUAIJQAYECRE-HZPDHXFCSA-N 1 3 372.538 2.673 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000666686434 981216820 /nfs/dbraw/zinc/21/68/20/981216820.db2.gz PORUAIJQAYECRE-HZPDHXFCSA-N 1 3 372.538 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(OC)c(C)c3)[C@@H]2C)CC[N@@H+]1C ZINC001088579399 981291462 /nfs/dbraw/zinc/29/14/62/981291462.db2.gz FKCLCZPUJBUCQS-BTHPGYMESA-N 1 3 373.541 2.813 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(OC)c(C)c3)[C@@H]2C)CC[N@H+]1C ZINC001088579399 981291467 /nfs/dbraw/zinc/29/14/67/981291467.db2.gz FKCLCZPUJBUCQS-BTHPGYMESA-N 1 3 373.541 2.813 20 0 FFADHO CC(C)C[C@@H](N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000236712134 981354541 /nfs/dbraw/zinc/35/45/41/981354541.db2.gz IJXKQXWSOMPVQU-HXUWFJFHSA-N 1 3 361.530 2.547 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccc(C)cc2)[C@@H]1C ZINC001088605083 981419863 /nfs/dbraw/zinc/41/98/63/981419863.db2.gz GHAQYAUUAKHSLI-HLAWJBBLSA-N 1 3 357.542 2.991 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccc(C)cc2)[C@@H]1C ZINC001088605083 981419869 /nfs/dbraw/zinc/41/98/69/981419869.db2.gz GHAQYAUUAKHSLI-HLAWJBBLSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@H]1CN(Cc2cn3ccc(Br)cc3n2)CCC[C@@H]1C[NH3+] ZINC001206014023 1032107080 /nfs/dbraw/zinc/10/70/80/1032107080.db2.gz VDXMKTQOYNIOBZ-QWHCGFSZSA-N 1 3 351.292 2.904 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913289418 984232956 /nfs/dbraw/zinc/23/29/56/984232956.db2.gz VCHAYSKHQWEDQM-OYRHEFFESA-N 1 3 355.482 2.908 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913289418 984232964 /nfs/dbraw/zinc/23/29/64/984232964.db2.gz VCHAYSKHQWEDQM-OYRHEFFESA-N 1 3 355.482 2.908 20 0 FFADHO O=C(NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1)c1ccc(F)cc1 ZINC001168395277 984474108 /nfs/dbraw/zinc/47/41/08/984474108.db2.gz SXTMVPDSWSXUKU-UHFFFAOYSA-N 1 3 359.489 2.894 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000651193224 1015037344 /nfs/dbraw/zinc/03/73/44/1015037344.db2.gz PRMZMSHJOXUOHN-HXUWFJFHSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000651193224 1015037355 /nfs/dbraw/zinc/03/73/55/1015037355.db2.gz PRMZMSHJOXUOHN-HXUWFJFHSA-N 1 3 360.546 2.880 20 0 FFADHO COC(=O)c1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1C ZINC000878428747 1015038822 /nfs/dbraw/zinc/03/88/22/1015038822.db2.gz WAMPAINRNIVPBF-UHFFFAOYSA-N 1 3 373.541 2.631 20 0 FFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669389459 984512398 /nfs/dbraw/zinc/51/23/98/984512398.db2.gz OXCBBWVCLMUHBH-OAQYLSRUSA-N 1 3 364.493 2.754 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000669405674 984535794 /nfs/dbraw/zinc/53/57/94/984535794.db2.gz GACILYUEGIDCNL-LMNJBCLMSA-N 1 3 356.514 2.607 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)C4(N(C)C)CCC4)CCC[C@@H]23)c1 ZINC001107436640 984538014 /nfs/dbraw/zinc/53/80/14/984538014.db2.gz ILCSYIOLXDEXIZ-TZIWHRDSSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)C4(N(C)C)CCC4)CCC[C@@H]23)c1 ZINC001107436640 984538016 /nfs/dbraw/zinc/53/80/16/984538016.db2.gz ILCSYIOLXDEXIZ-TZIWHRDSSA-N 1 3 370.541 2.735 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC1CCC1)CC2)N(C)C ZINC001107450720 984554742 /nfs/dbraw/zinc/55/47/42/984554742.db2.gz LQXZDFCPZMJVKA-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC1CCC1)CC2)N(C)C ZINC001107450720 984554744 /nfs/dbraw/zinc/55/47/44/984554744.db2.gz LQXZDFCPZMJVKA-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454905 984560348 /nfs/dbraw/zinc/56/03/48/984560348.db2.gz PKHAWOPPXNCDGY-YLJYHZDGSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N(C)CC)CCC[C@@H]12 ZINC001107454905 984560351 /nfs/dbraw/zinc/56/03/51/984560351.db2.gz PKHAWOPPXNCDGY-YLJYHZDGSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764642545 984605758 /nfs/dbraw/zinc/60/57/58/984605758.db2.gz YBTPLAALRRZGDU-RBBKRZOGSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)COCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534025 984643363 /nfs/dbraw/zinc/64/33/63/984643363.db2.gz SSVNVRXXGSZLCT-SFHLNBCPSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)COCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534025 984643365 /nfs/dbraw/zinc/64/33/65/984643365.db2.gz SSVNVRXXGSZLCT-SFHLNBCPSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCC(C)C)CC2 ZINC001107582759 984733286 /nfs/dbraw/zinc/73/32/86/984733286.db2.gz UHKUREOMTNJFGJ-TZIWHRDSSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCC(C)C)CC2 ZINC001107582759 984733290 /nfs/dbraw/zinc/73/32/90/984733290.db2.gz UHKUREOMTNJFGJ-TZIWHRDSSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC1CCC1)CC2 ZINC001107581822 984742512 /nfs/dbraw/zinc/74/25/12/984742512.db2.gz MYPPEEVFIYBDPH-TZIWHRDSSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC1CCC1)CC2 ZINC001107581822 984742514 /nfs/dbraw/zinc/74/25/14/984742514.db2.gz MYPPEEVFIYBDPH-TZIWHRDSSA-N 1 3 365.562 2.506 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)CN(C)C(C)C)CCC[C@@H]23)c1 ZINC001107646289 984937323 /nfs/dbraw/zinc/93/73/23/984937323.db2.gz GIQZRJVDYQBNSA-TZIWHRDSSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)CN(C)C(C)C)CCC[C@@H]23)c1 ZINC001107646289 984937331 /nfs/dbraw/zinc/93/73/31/984937331.db2.gz GIQZRJVDYQBNSA-TZIWHRDSSA-N 1 3 358.530 2.591 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)CC2)CC1 ZINC000878553248 1015099529 /nfs/dbraw/zinc/09/95/29/1015099529.db2.gz OHUAGERIKPHNGE-RBBKRZOGSA-N 1 3 355.526 2.639 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cccc(N3CCOCC3)c2)CC1 ZINC001206015504 1032110491 /nfs/dbraw/zinc/11/04/91/1032110491.db2.gz MNQQMVAEWONQDG-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO O=C(N[C@]12CCC[C@H]1CN(Cc1ccc(F)cc1)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001098841339 985292307 /nfs/dbraw/zinc/29/23/07/985292307.db2.gz IKSMQFSWYXPOOA-DWLFOUALSA-N 1 3 371.500 2.638 20 0 FFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1 ZINC001088983504 985753757 /nfs/dbraw/zinc/75/37/57/985753757.db2.gz AAJNBGMZWPZDBE-XLIONFOSSA-N 1 3 355.526 2.985 20 0 FFADHO COc1ccc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1O ZINC001206025996 1032112339 /nfs/dbraw/zinc/11/23/39/1032112339.db2.gz QJJCTGOVECVRTC-NEPJUHHUSA-N 1 3 357.292 2.970 20 0 FFADHO COCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001112540074 986423598 /nfs/dbraw/zinc/42/35/98/986423598.db2.gz DRRSLIORULZSKB-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO Fc1ccccc1COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000843121121 986440405 /nfs/dbraw/zinc/44/04/05/986440405.db2.gz FUSLCQGXMYSFIV-FQEVSTJZSA-N 1 3 369.484 2.884 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1OC ZINC001212483132 987645774 /nfs/dbraw/zinc/64/57/74/987645774.db2.gz CIBJVGHOWGMLNH-QZTJIDSGSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1OC ZINC001212483132 987645776 /nfs/dbraw/zinc/64/57/76/987645776.db2.gz CIBJVGHOWGMLNH-QZTJIDSGSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@H](OC)C2CCCC2)[C@H](C)C1 ZINC001106340148 987983566 /nfs/dbraw/zinc/98/35/66/987983566.db2.gz NKAUHKPAFLJBAU-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106370968 988039652 /nfs/dbraw/zinc/03/96/52/988039652.db2.gz KEDGXOCIKQVZRA-RNRBBCFGSA-N 1 3 360.329 2.618 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000915321217 988430938 /nfs/dbraw/zinc/43/09/38/988430938.db2.gz QVQNRUFJFMWYTE-SFHVURJKSA-N 1 3 373.545 2.824 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1csc(C(C)(C)C)n1 ZINC001106623250 988525995 /nfs/dbraw/zinc/52/59/95/988525995.db2.gz OWNCWUJFTBUTFT-HUUCEWRRSA-N 1 3 366.575 2.576 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(NC(C)=O)c3)C2)[C@@H]1C(C)C ZINC000922391822 988549568 /nfs/dbraw/zinc/54/95/68/988549568.db2.gz ABAKITKYTPQBNK-CGXNFDGLSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(NC(C)=O)c3)C2)[C@@H]1C(C)C ZINC000922391822 988549579 /nfs/dbraw/zinc/54/95/79/988549579.db2.gz ABAKITKYTPQBNK-CGXNFDGLSA-N 1 3 359.514 2.604 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](CNCc2nc(C)cs2)[C@H](C)C1)[NH+](CC)CC ZINC001106660140 988603743 /nfs/dbraw/zinc/60/37/43/988603743.db2.gz COOKFPUELFHLLN-DJIMGWMZSA-N 1 3 366.575 2.756 20 0 FFADHO Cc1ccccc1CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666026 988609747 /nfs/dbraw/zinc/60/97/47/988609747.db2.gz FICQFZAKRCJRNH-CZTZKLFOSA-N 1 3 371.569 2.954 20 0 FFADHO CC(C)OCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729079 988790435 /nfs/dbraw/zinc/79/04/35/988790435.db2.gz HKAUNFVJTLNTKU-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1)C(C)C ZINC001106776101 989021139 /nfs/dbraw/zinc/02/11/39/989021139.db2.gz DRSVOSUGVWVBHI-JFIYKMOQSA-N 1 3 366.575 2.694 20 0 FFADHO Cc1ccc(F)cc1CN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005406516 989761408 /nfs/dbraw/zinc/76/14/08/989761408.db2.gz DBRUXALHPQIAQX-OXQOHEQNSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(F)cc1CN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005406516 989761413 /nfs/dbraw/zinc/76/14/13/989761413.db2.gz DBRUXALHPQIAQX-OXQOHEQNSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000674701254 989870356 /nfs/dbraw/zinc/87/03/56/989870356.db2.gz KNJVLRCKZGQGPZ-AZUAARDMSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000674701254 989870363 /nfs/dbraw/zinc/87/03/63/989870363.db2.gz KNJVLRCKZGQGPZ-AZUAARDMSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1cc(F)ccc1CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214411 989970306 /nfs/dbraw/zinc/97/03/06/989970306.db2.gz MAVDLICYAMDUCF-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO Cc1cc(F)ccc1CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214411 989970313 /nfs/dbraw/zinc/97/03/13/989970313.db2.gz MAVDLICYAMDUCF-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652346099 1015532774 /nfs/dbraw/zinc/53/27/74/1015532774.db2.gz UAKWCQDCIQSQDE-BJLQDIEVSA-N 1 3 359.514 2.646 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000675742831 990368623 /nfs/dbraw/zinc/36/86/23/990368623.db2.gz WZUALQYEURECQQ-CTNGQTDRSA-N 1 3 358.574 2.655 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=S)NC3CCN(C)CC3)cc2)C1 ZINC000920309885 990829995 /nfs/dbraw/zinc/82/99/95/990829995.db2.gz ALVCDVAPJOJBGT-KRWDZBQOSA-N 1 3 374.598 2.977 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=S)NC3CCN(C)CC3)cc2)C1 ZINC000920309885 990830000 /nfs/dbraw/zinc/83/00/00/990830000.db2.gz ALVCDVAPJOJBGT-KRWDZBQOSA-N 1 3 374.598 2.977 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3C(C)C)cc2)CC1 ZINC000920419191 990847085 /nfs/dbraw/zinc/84/70/85/990847085.db2.gz UDIFYINVYOHDEQ-FQEVSTJZSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3C(C)C)cc2)CC1 ZINC000920419191 990847094 /nfs/dbraw/zinc/84/70/94/990847094.db2.gz UDIFYINVYOHDEQ-FQEVSTJZSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923446819 991146250 /nfs/dbraw/zinc/14/62/50/991146250.db2.gz OCZVIEZSNKXEJD-MOPGFXCFSA-N 1 3 359.514 2.566 20 0 FFADHO Cc1ccc2nc(CN3CCC([C@H]4CCC[NH2+]CC4)CC3)cc(=O)n2c1 ZINC000923503332 991189801 /nfs/dbraw/zinc/18/98/01/991189801.db2.gz JITPGXOPPQKOMR-KRWDZBQOSA-N 1 3 354.498 2.605 20 0 FFADHO C[C@H](NCc1cccc(C[NH2+][C@@H](C)c2ccnn2C)c1)c1ccnn1C ZINC000879686088 1015638644 /nfs/dbraw/zinc/63/86/44/1015638644.db2.gz SIMKDIXTYQCAMR-HOTGVXAUSA-N 1 3 352.486 2.855 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079182696 991891263 /nfs/dbraw/zinc/89/12/63/991891263.db2.gz XBWNPBPAYOYOBU-ZCNNSNEGSA-N 1 3 361.505 2.991 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001079189414 991901154 /nfs/dbraw/zinc/90/11/54/991901154.db2.gz NUHWLHAMZBXFOU-XUVXKRRUSA-N 1 3 361.505 2.850 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1c1ccccc1F ZINC001079295093 991980176 /nfs/dbraw/zinc/98/01/76/991980176.db2.gz OVULJVWGLZKEMA-SXLOBPIMSA-N 1 3 361.505 2.993 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001079805334 992457795 /nfs/dbraw/zinc/45/77/95/992457795.db2.gz NJDKNKFGGJQVTA-BHIYHBOVSA-N 1 3 363.571 2.992 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001079805334 992457806 /nfs/dbraw/zinc/45/78/06/992457806.db2.gz NJDKNKFGGJQVTA-BHIYHBOVSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC001079847492 992527375 /nfs/dbraw/zinc/52/73/75/992527375.db2.gz IEZNGWHOQCHZNJ-QRQLOZEOSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC001079847492 992527386 /nfs/dbraw/zinc/52/73/86/992527386.db2.gz IEZNGWHOQCHZNJ-QRQLOZEOSA-N 1 3 365.562 2.503 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001080782765 993333801 /nfs/dbraw/zinc/33/38/01/993333801.db2.gz AGHSOJQWQSRDAT-DUXKGJEZSA-N 1 3 357.542 2.917 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001080782765 993333809 /nfs/dbraw/zinc/33/38/09/993333809.db2.gz AGHSOJQWQSRDAT-DUXKGJEZSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1 ZINC001081179802 993739994 /nfs/dbraw/zinc/73/99/94/993739994.db2.gz LCPUBUSZWMUDJI-DZFGPLHGSA-N 1 3 355.526 2.855 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)CC1 ZINC000880554004 1015869358 /nfs/dbraw/zinc/86/93/58/1015869358.db2.gz OWCNIWOWJVCMTA-NRFANRHFSA-N 1 3 356.558 2.887 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)CC1 ZINC000880554004 1015869362 /nfs/dbraw/zinc/86/93/62/1015869362.db2.gz OWCNIWOWJVCMTA-NRFANRHFSA-N 1 3 356.558 2.887 20 0 FFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001082557445 994927471 /nfs/dbraw/zinc/92/74/71/994927471.db2.gz FFKYUIZMWCWNAO-GPMSIDNRSA-N 1 3 359.514 2.677 20 0 FFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001082557446 994928374 /nfs/dbraw/zinc/92/83/74/994928374.db2.gz FFKYUIZMWCWNAO-JTDSTZFVSA-N 1 3 359.514 2.677 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC001082557366 994928495 /nfs/dbraw/zinc/92/84/95/994928495.db2.gz ZLGLGSIAPJQELK-OWCLPIDISA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC001082560080 994936628 /nfs/dbraw/zinc/93/66/28/994936628.db2.gz ZACWYCKUBMUUJQ-IPHXSNPTSA-N 1 3 355.526 2.841 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3c(cccc3OC)C2)[C@H](C)C1 ZINC000164529320 995095786 /nfs/dbraw/zinc/09/57/86/995095786.db2.gz IFTXFOMAESONHS-QRQLOZEOSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3c(cccc3OC)C2)[C@H](C)C1 ZINC000164529320 995095795 /nfs/dbraw/zinc/09/57/95/995095795.db2.gz IFTXFOMAESONHS-QRQLOZEOSA-N 1 3 362.514 2.725 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2c(F)cccc2Cl)C1)N(C)C ZINC001082748521 995320172 /nfs/dbraw/zinc/32/01/72/995320172.db2.gz PEGBOULYQLGQLQ-XWIAVFTESA-N 1 3 369.912 2.798 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001082741095 995394433 /nfs/dbraw/zinc/39/44/33/995394433.db2.gz PGUMKKIANHYTFU-JTDSTZFVSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082740720 995395297 /nfs/dbraw/zinc/39/52/97/995395297.db2.gz DEOWQJYSNMWRAH-QWQRMKEZSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082740720 995395300 /nfs/dbraw/zinc/39/53/00/995395300.db2.gz DEOWQJYSNMWRAH-QWQRMKEZSA-N 1 3 367.896 2.900 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001082742733 995399929 /nfs/dbraw/zinc/39/99/29/995399929.db2.gz PRLKJIKKOXNFKQ-DBXWQHBBSA-N 1 3 357.542 2.570 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001082743748 995402694 /nfs/dbraw/zinc/40/26/94/995402694.db2.gz ZGHMQHUFLXGMHK-RDTXWAMCSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1cc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000813043386 995609763 /nfs/dbraw/zinc/60/97/63/995609763.db2.gz JWSOGABCBQIXLR-IBGZPJMESA-N 1 3 365.497 2.609 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2cnccc2C)CC[N@@H+]1C ZINC001049479528 1016003655 /nfs/dbraw/zinc/00/36/55/1016003655.db2.gz AJPMJXQGXXJBBF-JSXRDJHFSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2cnccc2C)CC[N@H+]1C ZINC001049479528 1016003666 /nfs/dbraw/zinc/00/36/66/1016003666.db2.gz AJPMJXQGXXJBBF-JSXRDJHFSA-N 1 3 370.541 2.686 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)cc1 ZINC001096539105 1016006356 /nfs/dbraw/zinc/00/63/56/1016006356.db2.gz VGLJOMNHHPXLBN-CGXNFDGLSA-N 1 3 355.526 2.812 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001096539105 1016006368 /nfs/dbraw/zinc/00/63/68/1016006368.db2.gz VGLJOMNHHPXLBN-CGXNFDGLSA-N 1 3 355.526 2.812 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001084545249 996665772 /nfs/dbraw/zinc/66/57/72/996665772.db2.gz BGVPDRAUKHQLHT-NJYVYQBISA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001084545249 996665774 /nfs/dbraw/zinc/66/57/74/996665774.db2.gz BGVPDRAUKHQLHT-NJYVYQBISA-N 1 3 359.558 2.974 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21)N1CCCC1 ZINC001084571942 996684929 /nfs/dbraw/zinc/68/49/29/996684929.db2.gz MULNUEVMPRSDFH-RTBURBONSA-N 1 3 359.558 2.974 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)N1CCCC1 ZINC001084571942 996684931 /nfs/dbraw/zinc/68/49/31/996684931.db2.gz MULNUEVMPRSDFH-RTBURBONSA-N 1 3 359.558 2.974 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3CC[N@H+](CC4CCC4)C[C@H]32)C1 ZINC001084663023 996792359 /nfs/dbraw/zinc/79/23/59/996792359.db2.gz ILXNVZYBQYXKEW-MBOZVWFJSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3CC[N@@H+](CC4CCC4)C[C@H]32)C1 ZINC001084663023 996792366 /nfs/dbraw/zinc/79/23/66/996792366.db2.gz ILXNVZYBQYXKEW-MBOZVWFJSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3CC[N@H+](CCC4CC4)C[C@H]32)C1 ZINC001084662894 996792483 /nfs/dbraw/zinc/79/24/83/996792483.db2.gz BWTWOWDWAFQQHO-HLIPFELVSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3CC[N@@H+](CCC4CC4)C[C@H]32)C1 ZINC001084662894 996792492 /nfs/dbraw/zinc/79/24/92/996792492.db2.gz BWTWOWDWAFQQHO-HLIPFELVSA-N 1 3 351.510 2.532 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C(C)(C)C)cc4)C[C@H]32)C1 ZINC001084830570 997574776 /nfs/dbraw/zinc/57/47/76/997574776.db2.gz ZHBBEMJDJBBLPR-SVFBPWRDSA-N 1 3 369.553 2.969 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C(C)(C)C)cc4)C[C@H]32)C1 ZINC001084830570 997574784 /nfs/dbraw/zinc/57/47/84/997574784.db2.gz ZHBBEMJDJBBLPR-SVFBPWRDSA-N 1 3 369.553 2.969 20 0 FFADHO CCN(c1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1)C(C)C ZINC000844225605 997715232 /nfs/dbraw/zinc/71/52/32/997715232.db2.gz SHVXIHMDVQSWDJ-HDICACEKSA-N 1 3 358.530 2.791 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](N[C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171112438 997737937 /nfs/dbraw/zinc/73/79/37/997737937.db2.gz KPMRFVPVIXHGDO-ULQDDVLXSA-N 1 3 365.905 2.734 20 0 FFADHO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H](O)CN1CCCC1 ZINC000731751306 998226105 /nfs/dbraw/zinc/22/61/05/998226105.db2.gz QBUIYCFZLLELMF-IBGZPJMESA-N 1 3 360.477 2.537 20 0 FFADHO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H](O)CN1CCCC1 ZINC000731751306 998226113 /nfs/dbraw/zinc/22/61/13/998226113.db2.gz QBUIYCFZLLELMF-IBGZPJMESA-N 1 3 360.477 2.537 20 0 FFADHO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H](O)C[NH+]1CCCC1 ZINC000731751306 998226125 /nfs/dbraw/zinc/22/61/25/998226125.db2.gz QBUIYCFZLLELMF-IBGZPJMESA-N 1 3 360.477 2.537 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)cs1 ZINC001085076203 998867867 /nfs/dbraw/zinc/86/78/67/998867867.db2.gz QYIXEYNFZDUUHF-MSOLQXFVSA-N 1 3 359.539 2.575 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC001085217670 999184483 /nfs/dbraw/zinc/18/44/83/999184483.db2.gz LICHXDGDFSCYDL-QWFCFKBJSA-N 1 3 358.530 2.781 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001085217666 999184643 /nfs/dbraw/zinc/18/46/43/999184643.db2.gz LDUSPXCEUJAUFO-QRVBRYPASA-N 1 3 362.518 2.683 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001085217666 999184646 /nfs/dbraw/zinc/18/46/46/999184646.db2.gz LDUSPXCEUJAUFO-QRVBRYPASA-N 1 3 362.518 2.683 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001085225240 999194871 /nfs/dbraw/zinc/19/48/71/999194871.db2.gz NZNKZPBMQFJVSN-IPMKNSEASA-N 1 3 362.518 2.763 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001085225240 999194875 /nfs/dbraw/zinc/19/48/75/999194875.db2.gz NZNKZPBMQFJVSN-IPMKNSEASA-N 1 3 362.518 2.763 20 0 FFADHO Cc1c(C[C@@H](CN)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cnn1C ZINC000903900080 1016295396 /nfs/dbraw/zinc/29/53/96/1016295396.db2.gz ZNXPPRBCMFHCGO-PGRDOPGGSA-N 1 3 370.541 2.608 20 0 FFADHO Cc1c(C[C@@H](CN)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cnn1C ZINC000903900080 1016295399 /nfs/dbraw/zinc/29/53/99/1016295399.db2.gz ZNXPPRBCMFHCGO-PGRDOPGGSA-N 1 3 370.541 2.608 20 0 FFADHO COc1ccc(C[C@@H]2CCCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903932801 1016312515 /nfs/dbraw/zinc/31/25/15/1016312515.db2.gz VYJDKZWKKPCKBN-RBUKOAKNSA-N 1 3 369.513 2.808 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC001085352763 999410253 /nfs/dbraw/zinc/41/02/53/999410253.db2.gz VUBMTYOETLHCHH-KURKYZTESA-N 1 3 364.559 2.923 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2F)C1 ZINC001085393815 999454883 /nfs/dbraw/zinc/45/48/83/999454883.db2.gz LKTRXPIHOREUIF-ZTFGCOKTSA-N 1 3 365.468 2.824 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2F)C1 ZINC001085393815 999454886 /nfs/dbraw/zinc/45/48/86/999454886.db2.gz LKTRXPIHOREUIF-ZTFGCOKTSA-N 1 3 365.468 2.824 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000740770748 999683117 /nfs/dbraw/zinc/68/31/17/999683117.db2.gz IYFFARLKKLHRGR-UYAOXDASSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000740770748 999683120 /nfs/dbraw/zinc/68/31/20/999683120.db2.gz IYFFARLKKLHRGR-UYAOXDASSA-N 1 3 374.598 2.942 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCCCO2)c1 ZINC001096604733 1016341499 /nfs/dbraw/zinc/34/14/99/1016341499.db2.gz ODRULDJGIFRTEN-ANULTFPQSA-N 1 3 371.525 2.652 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000743036960 999797006 /nfs/dbraw/zinc/79/70/06/999797006.db2.gz PFGQQELSVMTFKA-QUCCMNQESA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000743036960 999797007 /nfs/dbraw/zinc/79/70/07/999797007.db2.gz PFGQQELSVMTFKA-QUCCMNQESA-N 1 3 374.598 2.942 20 0 FFADHO COc1nc2ccccc2cc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980292 1016356308 /nfs/dbraw/zinc/35/63/08/1016356308.db2.gz NRUFPEPRNMAXMX-BGYRXZFFSA-N 1 3 366.509 2.644 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cc(Cl)ccc3F)C2)CC[N@@H+]1C ZINC001086371202 999876031 /nfs/dbraw/zinc/87/60/31/999876031.db2.gz VXRAYHRKTFSWHJ-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cc(Cl)ccc3F)C2)CC[N@H+]1C ZINC001086371202 999876032 /nfs/dbraw/zinc/87/60/32/999876032.db2.gz VXRAYHRKTFSWHJ-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H](N(C)C)C3)CC2=O)cc1 ZINC001168910518 1000008102 /nfs/dbraw/zinc/00/81/02/1000008102.db2.gz XJGIQPKKDHYPML-QYZOEREBSA-N 1 3 359.514 2.649 20 0 FFADHO COc1ccc(CN2CC[C@H](N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2=O)cc1 ZINC001168910518 1000008105 /nfs/dbraw/zinc/00/81/05/1000008105.db2.gz XJGIQPKKDHYPML-QYZOEREBSA-N 1 3 359.514 2.649 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)C2 ZINC001169138958 1000025279 /nfs/dbraw/zinc/02/52/79/1000025279.db2.gz KQARICWMMPZEKS-CWVBCOCOSA-N 1 3 359.489 2.588 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)C2 ZINC001169138958 1000025280 /nfs/dbraw/zinc/02/52/80/1000025280.db2.gz KQARICWMMPZEKS-CWVBCOCOSA-N 1 3 359.489 2.588 20 0 FFADHO Cc1cccc(CO[C@H]2CO[C@@]3(CCN([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)n1 ZINC001169138502 1000025312 /nfs/dbraw/zinc/02/53/12/1000025312.db2.gz HTDWLVALYMARCZ-YHINDDMVSA-N 1 3 371.525 2.765 20 0 FFADHO Cc1cccc(CO[C@H]2CO[C@@]3(CCN([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)n1 ZINC001169138502 1000025313 /nfs/dbraw/zinc/02/53/13/1000025313.db2.gz HTDWLVALYMARCZ-YHINDDMVSA-N 1 3 371.525 2.765 20 0 FFADHO CN1CCN(Cc2ccccc2C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169974364 1000139717 /nfs/dbraw/zinc/13/97/17/1000139717.db2.gz DJYJXNRWUMLKCR-UHFFFAOYSA-N 1 3 374.573 2.934 20 0 FFADHO CCCCCCN(C)CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000742134594 1000140086 /nfs/dbraw/zinc/14/00/86/1000140086.db2.gz DMLUAGCKNBDRBZ-UHFFFAOYSA-N 1 3 366.594 2.565 20 0 FFADHO CCN1C[C@H](CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)OC1=O ZINC000846840903 1000456395 /nfs/dbraw/zinc/45/63/95/1000456395.db2.gz KXHUEFNKRWAZMZ-IBGZPJMESA-N 1 3 357.498 2.815 20 0 FFADHO CCN1C[C@H](CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)OC1=O ZINC000846840903 1000456396 /nfs/dbraw/zinc/45/63/96/1000456396.db2.gz KXHUEFNKRWAZMZ-IBGZPJMESA-N 1 3 357.498 2.815 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4ccc(F)cc4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091684878 1001055385 /nfs/dbraw/zinc/05/53/85/1001055385.db2.gz UFAZPXHUXHKEEP-KHHDVDEJSA-N 1 3 373.516 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4ccc(F)cc4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091684878 1001055389 /nfs/dbraw/zinc/05/53/89/1001055389.db2.gz UFAZPXHUXHKEEP-KHHDVDEJSA-N 1 3 373.516 2.836 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091721103 1001140860 /nfs/dbraw/zinc/14/08/60/1001140860.db2.gz QIPPIWZZYXDOBE-LMMKCTJWSA-N 1 3 369.500 2.686 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091721103 1001140866 /nfs/dbraw/zinc/14/08/66/1001140866.db2.gz QIPPIWZZYXDOBE-LMMKCTJWSA-N 1 3 369.500 2.686 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1 ZINC001109932153 1001166460 /nfs/dbraw/zinc/16/64/60/1001166460.db2.gz CNFGSNHNZUQZPT-QYZOEREBSA-N 1 3 363.933 2.946 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1 ZINC001109932153 1001166466 /nfs/dbraw/zinc/16/64/66/1001166466.db2.gz CNFGSNHNZUQZPT-QYZOEREBSA-N 1 3 363.933 2.946 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735047 1001171348 /nfs/dbraw/zinc/17/13/48/1001171348.db2.gz GGHCPCYCEVQYJD-CTNGQTDRSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735047 1001171353 /nfs/dbraw/zinc/17/13/53/1001171353.db2.gz GGHCPCYCEVQYJD-CTNGQTDRSA-N 1 3 355.526 2.760 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091754151 1001231278 /nfs/dbraw/zinc/23/12/78/1001231278.db2.gz GHRPRMRMGYLHRT-VYDXJSESSA-N 1 3 361.452 2.594 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091754151 1001231282 /nfs/dbraw/zinc/23/12/82/1001231282.db2.gz GHRPRMRMGYLHRT-VYDXJSESSA-N 1 3 361.452 2.594 20 0 FFADHO Cc1ncoc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086883104 1001301144 /nfs/dbraw/zinc/30/11/44/1001301144.db2.gz MSFIUISFVAISBV-FUHWJXTLSA-N 1 3 370.497 2.733 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cc(F)ccc3Cl)C2)C1 ZINC001086875069 1001313473 /nfs/dbraw/zinc/31/34/73/1001313473.db2.gz DNYLGQGKTUBKCD-JJRVBVJISA-N 1 3 367.896 2.805 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cc(F)ccc3Cl)C2)C1 ZINC001086875069 1001313480 /nfs/dbraw/zinc/31/34/80/1001313480.db2.gz DNYLGQGKTUBKCD-JJRVBVJISA-N 1 3 367.896 2.805 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(Cl)Cl)C1 ZINC001112548563 1001458328 /nfs/dbraw/zinc/45/83/28/1001458328.db2.gz GKQMOCUYLNRKCK-YOEHRIQHSA-N 1 3 362.345 2.866 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001095499299 1016513675 /nfs/dbraw/zinc/51/36/75/1016513675.db2.gz XSORQJUHKWVVSA-QZWWFDLISA-N 1 3 355.473 2.628 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001095499299 1016513691 /nfs/dbraw/zinc/51/36/91/1016513691.db2.gz XSORQJUHKWVVSA-QZWWFDLISA-N 1 3 355.473 2.628 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@]2(C)C1)N(C)C ZINC001091782899 1001909138 /nfs/dbraw/zinc/90/91/38/1001909138.db2.gz LEGZGMSGDQIURM-SJBKTWHCSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@@]2(C)C1)N(C)C ZINC001091782899 1001909141 /nfs/dbraw/zinc/90/91/41/1001909141.db2.gz LEGZGMSGDQIURM-SJBKTWHCSA-N 1 3 357.542 2.924 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H]3CN(C/C=C/Cl)C[C@@]3(C)C2)C1 ZINC001092013119 1002285996 /nfs/dbraw/zinc/28/59/96/1002285996.db2.gz IMTLNCKPGBHUPS-IZITXWCHSA-N 1 3 371.928 2.732 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@H]3CN(C/C=C/Cl)C[C@@]3(C)C2)C1 ZINC001092013119 1002285999 /nfs/dbraw/zinc/28/59/99/1002285999.db2.gz IMTLNCKPGBHUPS-IZITXWCHSA-N 1 3 371.928 2.732 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+]([C@H]1CCc3c1cccc3F)C2 ZINC001092049351 1002395614 /nfs/dbraw/zinc/39/56/14/1002395614.db2.gz ALHYISRMBURHEO-RFVSGWPVSA-N 1 3 368.456 2.559 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+]([C@H]1CCc3c1cccc3F)C2 ZINC001092049351 1002395627 /nfs/dbraw/zinc/39/56/27/1002395627.db2.gz ALHYISRMBURHEO-RFVSGWPVSA-N 1 3 368.456 2.559 20 0 FFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049436 1002396704 /nfs/dbraw/zinc/39/67/04/1002396704.db2.gz FCRYWQUYQVDBFO-LMNJBCLMSA-N 1 3 352.482 2.884 20 0 FFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049436 1002396716 /nfs/dbraw/zinc/39/67/16/1002396716.db2.gz FCRYWQUYQVDBFO-LMNJBCLMSA-N 1 3 352.482 2.884 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C[C@@H]1C(F)(F)F ZINC001184388496 1002585123 /nfs/dbraw/zinc/58/51/23/1002585123.db2.gz QUHZMGFHMTUAFR-GTDBDLECSA-N 1 3 362.436 2.827 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001092302241 1002632943 /nfs/dbraw/zinc/63/29/43/1002632943.db2.gz UWZLXJMKDJTNOB-SJBKTWHCSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001092302241 1002632948 /nfs/dbraw/zinc/63/29/48/1002632948.db2.gz UWZLXJMKDJTNOB-SJBKTWHCSA-N 1 3 355.526 2.841 20 0 FFADHO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1)[C@H](C1CC1)N1CCCC1 ZINC001086600955 1002756411 /nfs/dbraw/zinc/75/64/11/1002756411.db2.gz ZSVYNDCFCHVJTQ-BDTNDASRSA-N 1 3 367.537 2.855 20 0 FFADHO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1)[C@H](C1CC1)N1CCCC1 ZINC001086600955 1002756419 /nfs/dbraw/zinc/75/64/19/1002756419.db2.gz ZSVYNDCFCHVJTQ-BDTNDASRSA-N 1 3 367.537 2.855 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1O ZINC001197724089 1004338477 /nfs/dbraw/zinc/33/84/77/1004338477.db2.gz NSBGQVPJJDCUBU-RTBURBONSA-N 1 3 369.594 2.876 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cc(Cl)cc[n+]3[O-])c3ccccc23)CC1 ZINC001170523687 1004584166 /nfs/dbraw/zinc/58/41/66/1004584166.db2.gz AWNJTACFEIEKFT-UHFFFAOYSA-N 1 3 370.884 2.883 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cc4nc[nH]c4cn3)c3ccccc23)CC1 ZINC001170524954 1004595673 /nfs/dbraw/zinc/59/56/73/1004595673.db2.gz PPLGXBWKPYAAAH-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3c[n+]([O-])ccc3Cl)c3ccccc23)CC1 ZINC001170528237 1004631418 /nfs/dbraw/zinc/63/14/18/1004631418.db2.gz GYBHDDUBEISKSN-UHFFFAOYSA-N 1 3 370.884 2.883 20 0 FFADHO Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c2ncnn2c1 ZINC001170528592 1004636761 /nfs/dbraw/zinc/63/67/61/1004636761.db2.gz TWDRSTQWZSCJTJ-UHFFFAOYSA-N 1 3 374.492 2.947 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCN(C)C(=O)OC(C)(C)C ZINC001198843681 1004762736 /nfs/dbraw/zinc/76/27/36/1004762736.db2.gz ABVFQGDSQCGFPP-QZTJIDSGSA-N 1 3 371.566 2.799 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CCN(C)C(=O)OC(C)(C)C ZINC001198843681 1004762741 /nfs/dbraw/zinc/76/27/41/1004762741.db2.gz ABVFQGDSQCGFPP-QZTJIDSGSA-N 1 3 371.566 2.799 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2cc(Br)ccc2F)CC1 ZINC001200923504 1005143560 /nfs/dbraw/zinc/14/35/60/1005143560.db2.gz RHWMKLDIERRMFJ-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO CC[NH+](CC)CCOCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC001201919272 1005289479 /nfs/dbraw/zinc/28/94/79/1005289479.db2.gz CFEMPMPONBUXIN-UHFFFAOYSA-N 1 3 362.440 2.686 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2OC)C1)N(C)C ZINC001488959773 1005379953 /nfs/dbraw/zinc/37/99/53/1005379953.db2.gz BHHISZUNHAWWPP-QXAKKESOSA-N 1 3 361.530 2.718 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC[N@@H+]1CCOCC(C)C ZINC001489114305 1005412235 /nfs/dbraw/zinc/41/22/35/1005412235.db2.gz ISULFSUAPZLEGE-OTWHNJEPSA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC[N@H+]1CCOCC(C)C ZINC001489114305 1005412237 /nfs/dbraw/zinc/41/22/37/1005412237.db2.gz ISULFSUAPZLEGE-OTWHNJEPSA-N 1 3 353.551 2.501 20 0 FFADHO COc1cccc(-c2n[nH]cc2CN2CCC(OCC[NH+](C)C)CC2)c1 ZINC000678261642 1016982730 /nfs/dbraw/zinc/98/27/30/1016982730.db2.gz WBVGDOCSWPLVBV-UHFFFAOYSA-N 1 3 358.486 2.628 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC001086712179 1005966544 /nfs/dbraw/zinc/96/65/44/1005966544.db2.gz UBMDVKLCTIXEHN-DFQSSKMNSA-N 1 3 358.530 2.639 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000747974652 1006418352 /nfs/dbraw/zinc/41/83/52/1006418352.db2.gz FVVJNKWLIYURPV-ZWKOTPCHSA-N 1 3 373.545 2.781 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000854038127 1006641070 /nfs/dbraw/zinc/64/10/70/1006641070.db2.gz KNJPPDJCHOHBNJ-FPOVZHCZSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000854038127 1006641077 /nfs/dbraw/zinc/64/10/77/1006641077.db2.gz KNJPPDJCHOHBNJ-FPOVZHCZSA-N 1 3 358.530 2.634 20 0 FFADHO COC(=O)c1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)n(C)c1C ZINC000883344051 1006760148 /nfs/dbraw/zinc/76/01/48/1006760148.db2.gz KOPVITSAFFJVFV-HNNXBMFYSA-N 1 3 373.497 2.911 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110683057 1006795663 /nfs/dbraw/zinc/79/56/63/1006795663.db2.gz OMNAGKOTZYITPK-WTGUMLROSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110683057 1006795674 /nfs/dbraw/zinc/79/56/74/1006795674.db2.gz OMNAGKOTZYITPK-WTGUMLROSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC001188979839 1006858710 /nfs/dbraw/zinc/85/87/10/1006858710.db2.gz VZBOEUFTHDNGEK-ZWKOTPCHSA-N 1 3 365.468 2.999 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC001189660509 1007218376 /nfs/dbraw/zinc/21/83/76/1007218376.db2.gz SYSICOHDAIKEAP-PKOBYXMFSA-N 1 3 355.482 2.807 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC001189660509 1007218382 /nfs/dbraw/zinc/21/83/82/1007218382.db2.gz SYSICOHDAIKEAP-PKOBYXMFSA-N 1 3 355.482 2.807 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC001116240201 1032210795 /nfs/dbraw/zinc/21/07/95/1032210795.db2.gz ZFAKSHVGPZQPGI-ICSRJNTNSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)cc1 ZINC001116240201 1032210799 /nfs/dbraw/zinc/21/07/99/1032210799.db2.gz ZFAKSHVGPZQPGI-ICSRJNTNSA-N 1 3 370.541 2.838 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000855346336 1007295783 /nfs/dbraw/zinc/29/57/83/1007295783.db2.gz XIQOEDVHTMVONQ-INIZCTEOSA-N 1 3 374.554 2.736 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000855346336 1007295791 /nfs/dbraw/zinc/29/57/91/1007295791.db2.gz XIQOEDVHTMVONQ-INIZCTEOSA-N 1 3 374.554 2.736 20 0 FFADHO Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346348 1007296181 /nfs/dbraw/zinc/29/61/81/1007296181.db2.gz YBFQASONJWOLNS-ZDUSSCGKSA-N 1 3 364.515 2.713 20 0 FFADHO Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346348 1007296189 /nfs/dbraw/zinc/29/61/89/1007296189.db2.gz YBFQASONJWOLNS-ZDUSSCGKSA-N 1 3 364.515 2.713 20 0 FFADHO O=C(N1CCC2(CN(CCCC(F)(F)F)C2)CC1)C12CC[NH+](CC1)CC2 ZINC001273590025 1007354212 /nfs/dbraw/zinc/35/42/12/1007354212.db2.gz WKGJVILMIAFUBI-UHFFFAOYSA-N 1 3 373.463 2.739 20 0 FFADHO C[C@@]1(C[NH3+])CCCN(Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC001206311105 1032221074 /nfs/dbraw/zinc/22/10/74/1032221074.db2.gz IUSHYMLACQYNSQ-MRXNPFEDSA-N 1 3 358.939 2.584 20 0 FFADHO CCCCC[C@@H](C)NC(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817286284 1007509667 /nfs/dbraw/zinc/50/96/67/1007509667.db2.gz HSVWARSPJUDMNG-LJQANCHMSA-N 1 3 366.594 2.563 20 0 FFADHO CCCCC[C@@H](C)NC(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817286284 1007509669 /nfs/dbraw/zinc/50/96/69/1007509669.db2.gz HSVWARSPJUDMNG-LJQANCHMSA-N 1 3 366.594 2.563 20 0 FFADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(N2CCOC2=O)cc1 ZINC000817939964 1007819042 /nfs/dbraw/zinc/81/90/42/1007819042.db2.gz IRZPXVBNKXXZPC-INIZCTEOSA-N 1 3 354.454 2.869 20 0 FFADHO Cc1nn(C)c(C)c1CN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559545 1007890225 /nfs/dbraw/zinc/89/02/25/1007890225.db2.gz AZQKXEOEMLKFKY-HXUWFJFHSA-N 1 3 371.529 2.925 20 0 FFADHO Cc1nn(C)c(C)c1CN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559545 1007890233 /nfs/dbraw/zinc/89/02/33/1007890233.db2.gz AZQKXEOEMLKFKY-HXUWFJFHSA-N 1 3 371.529 2.925 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3COC(C)(C)O3)C2)ccn1 ZINC000856607215 1007915376 /nfs/dbraw/zinc/91/53/76/1007915376.db2.gz YLHJCLFQJGIEPX-RTBURBONSA-N 1 3 363.502 2.526 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3COC(C)(C)O3)C2)ccn1 ZINC000856607215 1007915386 /nfs/dbraw/zinc/91/53/86/1007915386.db2.gz YLHJCLFQJGIEPX-RTBURBONSA-N 1 3 363.502 2.526 20 0 FFADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000818954839 1007991620 /nfs/dbraw/zinc/99/16/20/1007991620.db2.gz XXVFPLNPQBFSKQ-QHCPKHFHSA-N 1 3 365.521 2.869 20 0 FFADHO COC(=O)c1cc(CN2CCCC3(CC[NH+](C)CC3)C2)n2c1CCCC2 ZINC000857041629 1008044754 /nfs/dbraw/zinc/04/47/54/1008044754.db2.gz SAJBVXIDPHSDJZ-UHFFFAOYSA-N 1 3 359.514 2.919 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1ccccc1F ZINC000819372328 1008125256 /nfs/dbraw/zinc/12/52/56/1008125256.db2.gz ZMTXSHKMALCELS-BVYCBKJFSA-N 1 3 372.484 2.986 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1ccccc1F ZINC000819372328 1008125261 /nfs/dbraw/zinc/12/52/61/1008125261.db2.gz ZMTXSHKMALCELS-BVYCBKJFSA-N 1 3 372.484 2.986 20 0 FFADHO OCC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCOCC1 ZINC000886590459 1008759032 /nfs/dbraw/zinc/75/90/32/1008759032.db2.gz VZRZXSGYUREVHS-WSWWRLHASA-N 1 3 358.526 2.807 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(OCC(N)=O)cc2)[C@@H]1c1cccs1 ZINC001177919039 1008790068 /nfs/dbraw/zinc/79/00/68/1008790068.db2.gz HNMHACRPTINVHH-OXJNMPFZSA-N 1 3 373.522 2.785 20 0 FFADHO C[N@H+]1CCC[C@@H](CNCc2ccc(OCC(N)=O)cc2)[C@@H]1c1cccs1 ZINC001177919039 1008790083 /nfs/dbraw/zinc/79/00/83/1008790083.db2.gz HNMHACRPTINVHH-OXJNMPFZSA-N 1 3 373.522 2.785 20 0 FFADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(OCC(=O)N(C)C)c1 ZINC000126418970 1009227879 /nfs/dbraw/zinc/22/78/79/1009227879.db2.gz CQCZTOZQMJHLJG-UXDRXVOSSA-N 1 3 359.514 2.820 20 0 FFADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(OCC(=O)N(C)C)c1 ZINC000126418970 1009227890 /nfs/dbraw/zinc/22/78/90/1009227890.db2.gz CQCZTOZQMJHLJG-UXDRXVOSSA-N 1 3 359.514 2.820 20 0 FFADHO CC1(C[NH3+])CN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001206723682 1032402864 /nfs/dbraw/zinc/40/28/64/1032402864.db2.gz SEWPCXBOCBOECL-UHFFFAOYSA-N 1 3 364.537 2.789 20 0 FFADHO Cn1ccnc1Nc1cc[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001212834183 1009439846 /nfs/dbraw/zinc/43/98/46/1009439846.db2.gz PBSSACJBACOJET-UHFFFAOYSA-N 1 3 358.446 2.616 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934761 1009476415 /nfs/dbraw/zinc/47/64/15/1009476415.db2.gz HYBKLXVSFSZYFL-CRAIPNDOSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001206776951 1032420511 /nfs/dbraw/zinc/42/05/11/1032420511.db2.gz KPDZKJQAYXCOFT-VXESANQCSA-N 1 3 369.550 2.865 20 0 FFADHO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001180543963 1009740718 /nfs/dbraw/zinc/74/07/18/1009740718.db2.gz QVLDGDYFMQUMDF-ABSDTBQOSA-N 1 3 353.526 2.920 20 0 FFADHO Cc1cccc(N(C(=O)CN(C)C2CCCC2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001180627089 1009773594 /nfs/dbraw/zinc/77/35/94/1009773594.db2.gz BHQSDAZOGCAIDG-RBBKRZOGSA-N 1 3 371.525 2.723 20 0 FFADHO CCc1[nH]c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1C(=O)OC ZINC001181350059 1010089997 /nfs/dbraw/zinc/08/99/97/1010089997.db2.gz PQUDPUKMTMQQDV-QGZVFWFLSA-N 1 3 355.482 2.975 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+][C@H]1CCc2c1cccc2F ZINC001093288751 1010222552 /nfs/dbraw/zinc/22/25/52/1010222552.db2.gz SDPGJSLSXXKQKR-SXGZJXTBSA-N 1 3 370.472 2.853 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCNC12CCC2 ZINC000863541611 1010248937 /nfs/dbraw/zinc/24/89/37/1010248937.db2.gz KFKYJLPBYKVBJO-QAPCUYQASA-N 1 3 355.482 2.716 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182015309 1010362337 /nfs/dbraw/zinc/36/23/37/1010362337.db2.gz ZNMKHHJCIODHAQ-WMQCIHAUSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccc(Cl)cc1F ZINC001093673730 1010456628 /nfs/dbraw/zinc/45/66/28/1010456628.db2.gz VPJGFXMJWVDOEB-SIIHOXLZSA-N 1 3 367.896 2.757 20 0 FFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001093821507 1010592420 /nfs/dbraw/zinc/59/24/20/1010592420.db2.gz ACTGHLDJGBKVBD-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1C ZINC001093824240 1010595197 /nfs/dbraw/zinc/59/51/97/1010595197.db2.gz LQWGCMCFDVNVRU-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001093825340 1010599348 /nfs/dbraw/zinc/59/93/48/1010599348.db2.gz FKXFIAKCEOOARR-OWCLPIDISA-N 1 3 357.489 2.590 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccncc2Cl)[C@H](C)C1)N(C)C ZINC001093839403 1010609522 /nfs/dbraw/zinc/60/95/22/1010609522.db2.gz MZBRCXVWOYBOSR-KYJSFNMBSA-N 1 3 366.937 2.505 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1C ZINC001094042196 1010804950 /nfs/dbraw/zinc/80/49/50/1010804950.db2.gz NPGMOJURXXTKKH-OZOXKJRCSA-N 1 3 357.542 2.829 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001094088657 1010849290 /nfs/dbraw/zinc/84/92/90/1010849290.db2.gz GHOWZGKJJIIUQC-BRWVUGGUSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001094088657 1010849298 /nfs/dbraw/zinc/84/92/98/1010849298.db2.gz GHOWZGKJJIIUQC-BRWVUGGUSA-N 1 3 364.559 2.590 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000866667035 1011034208 /nfs/dbraw/zinc/03/42/08/1011034208.db2.gz ZAYJOCYBIFNHMJ-NJDAHSKKSA-N 1 3 373.541 2.955 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001094414000 1011098614 /nfs/dbraw/zinc/09/86/14/1011098614.db2.gz OTHMVYIKRFFWNF-ZBLFTQAYSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001094414000 1011098620 /nfs/dbraw/zinc/09/86/20/1011098620.db2.gz OTHMVYIKRFFWNF-ZBLFTQAYSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2 ZINC001094414000 1011098624 /nfs/dbraw/zinc/09/86/24/1011098624.db2.gz OTHMVYIKRFFWNF-ZBLFTQAYSA-N 1 3 353.938 2.973 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001094414000 1011098630 /nfs/dbraw/zinc/09/86/30/1011098630.db2.gz OTHMVYIKRFFWNF-ZBLFTQAYSA-N 1 3 353.938 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2conc2C)CC3)CC[N@@H+]1C ZINC001094418504 1011103944 /nfs/dbraw/zinc/10/39/44/1011103944.db2.gz XXSGOOQJRBGEMX-QEUVDIPISA-N 1 3 374.529 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2conc2C)CC3)CC[N@H+]1C ZINC001094418504 1011103949 /nfs/dbraw/zinc/10/39/49/1011103949.db2.gz XXSGOOQJRBGEMX-QEUVDIPISA-N 1 3 374.529 2.574 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001094430768 1011114344 /nfs/dbraw/zinc/11/43/44/1011114344.db2.gz VTPSBCINVYOSJB-JEPKVCRFSA-N 1 3 353.938 2.974 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001094430768 1011114354 /nfs/dbraw/zinc/11/43/54/1011114354.db2.gz VTPSBCINVYOSJB-JEPKVCRFSA-N 1 3 353.938 2.974 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868114090 1011172496 /nfs/dbraw/zinc/17/24/96/1011172496.db2.gz ASVHBZWFBSEABV-OALUTQOASA-N 1 3 374.554 2.636 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ccccc2F)CC3)C1 ZINC001094578167 1011254750 /nfs/dbraw/zinc/25/47/50/1011254750.db2.gz RPXWVKFGSLZUDA-YFVAEKQCSA-N 1 3 359.489 2.638 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ccccc2F)CC3)C1 ZINC001094578167 1011254758 /nfs/dbraw/zinc/25/47/58/1011254758.db2.gz RPXWVKFGSLZUDA-YFVAEKQCSA-N 1 3 359.489 2.638 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCN(C)C1 ZINC000645095124 1011338518 /nfs/dbraw/zinc/33/85/18/1011338518.db2.gz HOCHLKPEEFHSKA-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO COc1ccnc(O[C@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171640947 1011423480 /nfs/dbraw/zinc/42/34/80/1011423480.db2.gz KNMOCELDJAEACB-INIZCTEOSA-N 1 3 362.518 2.980 20 0 FFADHO COc1ccnc(O[C@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171640947 1011423488 /nfs/dbraw/zinc/42/34/88/1011423488.db2.gz KNMOCELDJAEACB-INIZCTEOSA-N 1 3 362.518 2.980 20 0 FFADHO CCOC(=O)CC[NH+](CCC(=O)OCC)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641923 1011423515 /nfs/dbraw/zinc/42/35/15/1011423515.db2.gz WDWUHBUCPJWYAE-UHFFFAOYSA-N 1 3 370.534 2.846 20 0 FFADHO CC(C)(O)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171989524 1011554441 /nfs/dbraw/zinc/55/44/41/1011554441.db2.gz CYGKNXYXWZYKSC-HXUWFJFHSA-N 1 3 359.558 2.818 20 0 FFADHO CC(C)(O)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171989524 1011554456 /nfs/dbraw/zinc/55/44/56/1011554456.db2.gz CYGKNXYXWZYKSC-HXUWFJFHSA-N 1 3 359.558 2.818 20 0 FFADHO O[C@@H]1CCCN(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172077464 1011614771 /nfs/dbraw/zinc/61/47/71/1011614771.db2.gz TVMSRSRBRHBTLR-CIAFKFPVSA-N 1 3 357.542 2.618 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CCN12 ZINC001172148009 1011664810 /nfs/dbraw/zinc/66/48/10/1011664810.db2.gz UHPXANGVCLLQPB-SRHPJPHMSA-N 1 3 353.510 2.640 20 0 FFADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172160273 1011673027 /nfs/dbraw/zinc/67/30/27/1011673027.db2.gz SHTZCWLGTXXOKF-QZTJIDSGSA-N 1 3 361.917 2.829 20 0 FFADHO C[C@H]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000646230037 1011807838 /nfs/dbraw/zinc/80/78/38/1011807838.db2.gz KHIUEUONUOPRNJ-SFHVURJKSA-N 1 3 366.509 2.951 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646379112 1011888967 /nfs/dbraw/zinc/88/89/67/1011888967.db2.gz MLKRURCIPGSQGX-PWRODBHTSA-N 1 3 370.541 2.532 20 0 FFADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CCCc1ccccc1)CC2 ZINC001275098903 1011937507 /nfs/dbraw/zinc/93/75/07/1011937507.db2.gz LHOIMCCOPTYUBM-UHFFFAOYSA-N 1 3 357.542 2.885 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172714357 1011990801 /nfs/dbraw/zinc/99/08/01/1011990801.db2.gz XFHLQTFERGCHAP-JKSUJKDBSA-N 1 3 353.894 2.987 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCC[C@H](C(=O)OC)CC2)CC1 ZINC001172796326 1012012034 /nfs/dbraw/zinc/01/20/34/1012012034.db2.gz MSXGGKXPBAUVNQ-SCTDSRPQSA-N 1 3 352.519 2.684 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCC[C@H](C(=O)OC)CC2)CC1 ZINC001172796326 1012012052 /nfs/dbraw/zinc/01/20/52/1012012052.db2.gz MSXGGKXPBAUVNQ-SCTDSRPQSA-N 1 3 352.519 2.684 20 0 FFADHO O=C(NCc1nc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1)c1ccccc1 ZINC000647788321 1012584487 /nfs/dbraw/zinc/58/44/87/1012584487.db2.gz HSSLDOAWCUCGEQ-GVDBMIGSSA-N 1 3 370.522 2.551 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970673 1012648699 /nfs/dbraw/zinc/64/86/99/1012648699.db2.gz UJUWUROOVOJETP-SJLPKXTDSA-N 1 3 368.525 2.537 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975829 1012650051 /nfs/dbraw/zinc/65/00/51/1012650051.db2.gz GOPQNWCQFVPXOU-UFYCRDLUSA-N 1 3 373.541 2.590 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978191 1012653435 /nfs/dbraw/zinc/65/34/35/1012653435.db2.gz NXVJLENQJLYABJ-WOJBJXKFSA-N 1 3 373.541 2.803 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011124 1012667913 /nfs/dbraw/zinc/66/79/13/1012667913.db2.gz FQWITEIKMGWWCW-GOSISDBHSA-N 1 3 360.502 2.921 20 0 FFADHO c1cc(CN2CCC3(C2)CC[NH+]([C@H]2CCC[C@@H](n4ncnn4)C2)CC3)co1 ZINC001173760347 1012950403 /nfs/dbraw/zinc/95/04/03/1012950403.db2.gz IQQGFTNIJYGIOT-RBUKOAKNSA-N 1 3 370.501 2.738 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCc3cccc(Cl)c3)C2)C1=O ZINC001275760943 1012969120 /nfs/dbraw/zinc/96/91/20/1012969120.db2.gz IACCYYQNJLRFIX-HXUWFJFHSA-N 1 3 363.933 2.759 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCc3cccc(Cl)c3)C2)C1=O ZINC001275760943 1012969127 /nfs/dbraw/zinc/96/91/27/1012969127.db2.gz IACCYYQNJLRFIX-HXUWFJFHSA-N 1 3 363.933 2.759 20 0 FFADHO C[NH+](C)CCN1C(=O)c2cccc3cc(Nc4ccncc4)cc(c32)C1=O ZINC001173884864 1013010697 /nfs/dbraw/zinc/01/06/97/1013010697.db2.gz VQVASMUACUZPHG-UHFFFAOYSA-N 1 3 360.417 2.558 20 0 FFADHO Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001097343862 1017376501 /nfs/dbraw/zinc/37/65/01/1017376501.db2.gz ZUZZTBOEKGGEKV-YSTOQKLRSA-N 1 3 359.489 2.840 20 0 FFADHO Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001097343862 1017376514 /nfs/dbraw/zinc/37/65/14/1017376514.db2.gz ZUZZTBOEKGGEKV-YSTOQKLRSA-N 1 3 359.489 2.840 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21)[NH+]1CCCC1 ZINC001222048530 1032698397 /nfs/dbraw/zinc/69/83/97/1032698397.db2.gz NKIIEGOICUAFPO-GUDVDZBRSA-N 1 3 353.526 2.779 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000924695416 1017425875 /nfs/dbraw/zinc/42/58/75/1017425875.db2.gz RVFNVRRFSWHMLC-XTWGIRIWSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccnnc1 ZINC000924705153 1017435944 /nfs/dbraw/zinc/43/59/44/1017435944.db2.gz AEGCCCDJTJFUHM-LJQANCHMSA-N 1 3 353.514 2.725 20 0 FFADHO Cc1ccc(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)cc1 ZINC001097429915 1017480804 /nfs/dbraw/zinc/48/08/04/1017480804.db2.gz ALMOWERQMBSILC-NJYVYQBISA-N 1 3 367.537 2.887 20 0 FFADHO CCCCNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)cc1 ZINC000924813178 1017497956 /nfs/dbraw/zinc/49/79/56/1017497956.db2.gz FEIVQXURYIGOFD-SEJPIABJSA-N 1 3 373.541 2.948 20 0 FFADHO C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc(-n2cnnc2)c1 ZINC000924968409 1017567295 /nfs/dbraw/zinc/56/72/95/1017567295.db2.gz BHGBCTKEVZOBGL-KRWDZBQOSA-N 1 3 355.486 2.563 20 0 FFADHO CCc1nn(C)cc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000678837215 1017665250 /nfs/dbraw/zinc/66/52/50/1017665250.db2.gz SGPOZWWKWHIFHD-UHFFFAOYSA-N 1 3 361.578 2.611 20 0 FFADHO C[C@H]1CC2(CC([NH2+]Cc3ccc(C(=O)NCCN4CCCC4)cc3)C2)CO1 ZINC000925437975 1017740505 /nfs/dbraw/zinc/74/05/05/1017740505.db2.gz IASGAAQARGIHMW-RYHLMMNBSA-N 1 3 371.525 2.559 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@H]3CCNC[C@@H]3C3CCCC3)CC2)nc(C)n1 ZINC000925543836 1017779709 /nfs/dbraw/zinc/77/97/09/1017779709.db2.gz XBCFVTVZIHFUSV-UXHICEINSA-N 1 3 357.546 2.820 20 0 FFADHO C[C@H]1CN(c2ccc(CN[C@H](CCC[NH3+])c3ccccc3)cn2)CCO1 ZINC000925553318 1017784704 /nfs/dbraw/zinc/78/47/04/1017784704.db2.gz ORRRVXKBDKJPTL-FXAWDEMLSA-N 1 3 354.498 2.877 20 0 FFADHO CCOC(=O)c1ccc(N2CC(N[C@H](CCC[NH3+])c3ccccc3)C2)nc1 ZINC000925637124 1017807368 /nfs/dbraw/zinc/80/73/68/1017807368.db2.gz HYZALOHUROKAEJ-LJQANCHMSA-N 1 3 368.481 2.517 20 0 FFADHO Cc1cc(C)c2c(c1)[C@H](NC[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCCO2 ZINC000925853728 1017874206 /nfs/dbraw/zinc/87/42/06/1017874206.db2.gz QPBKBAFIPSXZEO-SJLPKXTDSA-N 1 3 358.482 2.792 20 0 FFADHO Cc1cc(N2CCC[C@H](N[C@H](C)c3cccc(C[NH+](C)C)c3)C2=O)n(C)n1 ZINC000925894321 1017885321 /nfs/dbraw/zinc/88/53/21/1017885321.db2.gz XGPREVZESFBTHD-APWZRJJASA-N 1 3 369.513 2.636 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680269539 1017887774 /nfs/dbraw/zinc/88/77/74/1017887774.db2.gz LNYUNFVKJTXVEU-UWHLTILDSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680269539 1017887789 /nfs/dbraw/zinc/88/77/89/1017887789.db2.gz LNYUNFVKJTXVEU-UWHLTILDSA-N 1 3 357.542 2.990 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000680483749 1018010756 /nfs/dbraw/zinc/01/07/56/1018010756.db2.gz QPUPDOAGMBXIOI-LJQANCHMSA-N 1 3 357.542 2.902 20 0 FFADHO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052992107 1018151674 /nfs/dbraw/zinc/15/16/74/1018151674.db2.gz BQKPGCBICJCBSC-AYWYSENESA-N 1 3 359.558 2.972 20 0 FFADHO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052992107 1018151685 /nfs/dbraw/zinc/15/16/85/1018151685.db2.gz BQKPGCBICJCBSC-AYWYSENESA-N 1 3 359.558 2.972 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc(Cl)n1 ZINC000827479568 1018194605 /nfs/dbraw/zinc/19/46/05/1018194605.db2.gz ZXEBUBYLJAPSBZ-ZWKOTPCHSA-N 1 3 374.916 2.722 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4C[C@@H]5COC[C@@H]5O4)[C@@H]3C2)cc1 ZINC000926946135 1018302512 /nfs/dbraw/zinc/30/25/12/1018302512.db2.gz DKMOZFQKKJLTBZ-NALHQMNBSA-N 1 3 356.510 2.681 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000682122361 1018703471 /nfs/dbraw/zinc/70/34/71/1018703471.db2.gz DRRBKTITCKWGBW-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1cc(CN2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)cc(C)c1F ZINC001276385294 1020124086 /nfs/dbraw/zinc/12/40/86/1020124086.db2.gz JXCXQSRDGSTYSQ-GOSISDBHSA-N 1 3 361.505 2.722 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cccc(F)c2)CC[N@@H+]1C ZINC001045781420 1020128545 /nfs/dbraw/zinc/12/85/45/1020128545.db2.gz MFANXSXSPIOQQF-GEALJGNFSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cccc(F)c2)CC[N@H+]1C ZINC001045781420 1020128550 /nfs/dbraw/zinc/12/85/50/1020128550.db2.gz MFANXSXSPIOQQF-GEALJGNFSA-N 1 3 359.489 2.731 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+](CC)C(C)C)cc2)CC1 ZINC000726714963 1020511453 /nfs/dbraw/zinc/51/14/53/1020511453.db2.gz ZRTPBAHSUZOEDE-UHFFFAOYSA-N 1 3 361.534 2.680 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+](CC)C(C)C)cc2)CC1 ZINC000726714963 1020511461 /nfs/dbraw/zinc/51/14/61/1020511461.db2.gz ZRTPBAHSUZOEDE-UHFFFAOYSA-N 1 3 361.534 2.680 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)C1 ZINC001098217838 1020738890 /nfs/dbraw/zinc/73/88/90/1020738890.db2.gz LPEAZSHAYMLFRY-CIQXWFTPSA-N 1 3 367.537 2.739 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)C1 ZINC001098217838 1020738895 /nfs/dbraw/zinc/73/88/95/1020738895.db2.gz LPEAZSHAYMLFRY-CIQXWFTPSA-N 1 3 367.537 2.739 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1 ZINC001098223253 1020745347 /nfs/dbraw/zinc/74/53/47/1020745347.db2.gz CJTZEECNGDKXNC-NJYVYQBISA-N 1 3 367.537 2.956 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)c(C)c1 ZINC001098224913 1020745973 /nfs/dbraw/zinc/74/59/73/1020745973.db2.gz MLHRQZKRNWMWCS-AQNXPRMDSA-N 1 3 353.510 2.621 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCOC2CCC2)c1 ZINC001098459846 1020926480 /nfs/dbraw/zinc/92/64/80/1020926480.db2.gz SILUWXQCRJVNRH-NRSPTQNISA-N 1 3 371.525 2.652 20 0 FFADHO O=C1NCCN1CC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000933577871 1021036323 /nfs/dbraw/zinc/03/63/23/1021036323.db2.gz BYWLMXKAXNYITF-UHFFFAOYSA-N 1 3 370.541 2.910 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC2CC2)C3)C1 ZINC001099030012 1021631684 /nfs/dbraw/zinc/63/16/84/1021631684.db2.gz SRVCXOWNBUARAC-YYWHXJBOSA-N 1 3 365.537 2.970 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC2CC2)C3)C1 ZINC001099030012 1021631689 /nfs/dbraw/zinc/63/16/89/1021631689.db2.gz SRVCXOWNBUARAC-YYWHXJBOSA-N 1 3 365.537 2.970 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC001117965340 1021995424 /nfs/dbraw/zinc/99/54/24/1021995424.db2.gz RDOXSADULAIQBE-QUCCMNQESA-N 1 3 370.541 2.825 20 0 FFADHO Cc1ccc(CN2CCC3(C[C@H]3NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001016631747 1022060499 /nfs/dbraw/zinc/06/04/99/1022060499.db2.gz CVCOXUPXKONJCE-MISYRCLQSA-N 1 3 370.541 2.509 20 0 FFADHO Cc1ccc(CN2CCC3(C[C@H]3NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001016631747 1022060511 /nfs/dbraw/zinc/06/05/11/1022060511.db2.gz CVCOXUPXKONJCE-MISYRCLQSA-N 1 3 370.541 2.509 20 0 FFADHO Cc1ccc(CN2CCC3(C[C@@H]3NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001016631748 1022062462 /nfs/dbraw/zinc/06/24/62/1022062462.db2.gz CVCOXUPXKONJCE-RLLQIKCJSA-N 1 3 370.541 2.509 20 0 FFADHO Cc1ccc(CN2CCC3(C[C@@H]3NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001016631748 1022062477 /nfs/dbraw/zinc/06/24/77/1022062477.db2.gz CVCOXUPXKONJCE-RLLQIKCJSA-N 1 3 370.541 2.509 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1ccccc1OC ZINC001111232939 1022520458 /nfs/dbraw/zinc/52/04/58/1022520458.db2.gz DNIPZDJEKVFNOO-AQNXPRMDSA-N 1 3 373.541 2.691 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1ccccc1OC ZINC001111232939 1022520466 /nfs/dbraw/zinc/52/04/66/1022520466.db2.gz DNIPZDJEKVFNOO-AQNXPRMDSA-N 1 3 373.541 2.691 20 0 FFADHO Cc1cncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CN(C)C2CCC2)C3)c1 ZINC001099446388 1022539530 /nfs/dbraw/zinc/53/95/30/1022539530.db2.gz OGWXMISJSKJPGY-UGKGYDQZSA-N 1 3 370.541 2.593 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1)C1CC1 ZINC001099445699 1022539631 /nfs/dbraw/zinc/53/96/31/1022539631.db2.gz BZECRMPPYXZZCW-NSHGMRRFSA-N 1 3 361.555 2.807 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001099499544 1022635398 /nfs/dbraw/zinc/63/53/98/1022635398.db2.gz IWOXTHWFWFYJLL-LZNRXBQRSA-N 1 3 361.574 2.983 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(F)c2)C1 ZINC001099504818 1022644405 /nfs/dbraw/zinc/64/44/05/1022644405.db2.gz BAYNGGIOWGYEOP-JXFKEZNVSA-N 1 3 356.445 2.510 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccnc2)C1 ZINC001099540175 1022714070 /nfs/dbraw/zinc/71/40/70/1022714070.db2.gz QJEKSQHGPCKVTG-VWPQPMDRSA-N 1 3 370.541 2.674 20 0 FFADHO Fc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000188995191 1023184136 /nfs/dbraw/zinc/18/41/36/1023184136.db2.gz FQCNRAGEVQMEHR-UHFFFAOYSA-N 1 3 356.489 2.908 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC001120535223 1023353251 /nfs/dbraw/zinc/35/32/51/1023353251.db2.gz FPMBYAOZTRBWAW-QCEMKRCNSA-N 1 3 372.435 2.599 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=S)NC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000753670065 1023366277 /nfs/dbraw/zinc/36/62/77/1023366277.db2.gz ASVYKMZYAOZTIY-PKOBYXMFSA-N 1 3 374.598 2.845 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=S)NC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000753670065 1023366286 /nfs/dbraw/zinc/36/62/86/1023366286.db2.gz ASVYKMZYAOZTIY-PKOBYXMFSA-N 1 3 374.598 2.845 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2c3ccccc3CCN2CC2CC2)CC[N@@H+]1C ZINC000948919959 1023413062 /nfs/dbraw/zinc/41/30/62/1023413062.db2.gz UOMPSEBAPRSMDY-PWRODBHTSA-N 1 3 355.526 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2c3ccccc3CCN2CC2CC2)CC[N@H+]1C ZINC000948919959 1023413067 /nfs/dbraw/zinc/41/30/67/1023413067.db2.gz UOMPSEBAPRSMDY-PWRODBHTSA-N 1 3 355.526 2.842 20 0 FFADHO CN1CCC[C@H](c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CC2CC2)C1 ZINC001123493626 1023830813 /nfs/dbraw/zinc/83/08/13/1023830813.db2.gz AQBROUDXEIBRKJ-RBUKOAKNSA-N 1 3 372.561 2.562 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001095812882 1023962321 /nfs/dbraw/zinc/96/23/21/1023962321.db2.gz SPWCUCYKXDFLSJ-VSZNYVQBSA-N 1 3 367.484 2.628 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1)[C@@H](C1CC1)N1CCCC1 ZINC001095812882 1023962333 /nfs/dbraw/zinc/96/23/33/1023962333.db2.gz SPWCUCYKXDFLSJ-VSZNYVQBSA-N 1 3 367.484 2.628 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1)[C@@H](C1CC1)N1CCCC1 ZINC001095812882 1023962348 /nfs/dbraw/zinc/96/23/48/1023962348.db2.gz SPWCUCYKXDFLSJ-VSZNYVQBSA-N 1 3 367.484 2.628 20 0 FFADHO Cc1nc(Br)ccc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218570007 1033225372 /nfs/dbraw/zinc/22/53/72/1033225372.db2.gz DOTXOVIIJHPRSU-LBPRGKRZSA-N 1 3 357.296 2.587 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1 ZINC001101400299 1024637133 /nfs/dbraw/zinc/63/71/33/1024637133.db2.gz PYXNEXZRYAPSKM-KNQAVFIVSA-N 1 3 368.525 2.790 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1 ZINC001101400299 1024637139 /nfs/dbraw/zinc/63/71/39/1024637139.db2.gz PYXNEXZRYAPSKM-KNQAVFIVSA-N 1 3 368.525 2.790 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cc(C)ccc3F)C[C@@]2(C)C1 ZINC001101418216 1024691005 /nfs/dbraw/zinc/69/10/05/1024691005.db2.gz GGZIRKIPKDGKRV-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cc(C)ccc3F)C[C@@]2(C)C1 ZINC001101418216 1024691012 /nfs/dbraw/zinc/69/10/12/1024691012.db2.gz GGZIRKIPKDGKRV-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1 ZINC001101438732 1024745614 /nfs/dbraw/zinc/74/56/14/1024745614.db2.gz QMZLKFPMXHIBAY-CTNGQTDRSA-N 1 3 361.505 2.778 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1 ZINC001101438732 1024745627 /nfs/dbraw/zinc/74/56/27/1024745627.db2.gz QMZLKFPMXHIBAY-CTNGQTDRSA-N 1 3 361.505 2.778 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(F)c(Cl)nc1Cl ZINC001218594512 1033238829 /nfs/dbraw/zinc/23/88/29/1033238829.db2.gz KIYPLYRYFVZTPR-JTQLQIEISA-N 1 3 351.253 2.962 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464468 1024804829 /nfs/dbraw/zinc/80/48/29/1024804829.db2.gz JXWHSBRAALRNLL-GGPKGHCWSA-N 1 3 353.526 2.781 20 0 FFADHO COC(=O)COc1c(C)cc(C[NH2+]C2CCN(CC3CC3)CC2)cc1C ZINC000195204732 1024959651 /nfs/dbraw/zinc/95/96/51/1024959651.db2.gz DLQYVXCMBYCPLJ-UHFFFAOYSA-N 1 3 360.498 2.819 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046170 1025349700 /nfs/dbraw/zinc/34/97/00/1025349700.db2.gz QJCUNCOYLQFQDC-NVXWUHKLSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046170 1025349716 /nfs/dbraw/zinc/34/97/16/1025349716.db2.gz QJCUNCOYLQFQDC-NVXWUHKLSA-N 1 3 371.516 2.980 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046288 1025350592 /nfs/dbraw/zinc/35/05/92/1025350592.db2.gz WHVDTIILXAPSCO-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046288 1025350606 /nfs/dbraw/zinc/35/06/06/1025350606.db2.gz WHVDTIILXAPSCO-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047619 1025353397 /nfs/dbraw/zinc/35/33/97/1025353397.db2.gz NISWPXZIYSEIPG-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047619 1025353411 /nfs/dbraw/zinc/35/34/11/1025353411.db2.gz NISWPXZIYSEIPG-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001102088431 1025412578 /nfs/dbraw/zinc/41/25/78/1025412578.db2.gz VSMFYQSEWREZFH-SZVBFZGTSA-N 1 3 365.949 2.907 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001102088431 1025412588 /nfs/dbraw/zinc/41/25/88/1025412588.db2.gz VSMFYQSEWREZFH-SZVBFZGTSA-N 1 3 365.949 2.907 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1C)N(C)C ZINC001102088474 1025412703 /nfs/dbraw/zinc/41/27/03/1025412703.db2.gz WUHRPVCKPDGNQE-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1C)N(C)C ZINC001102088474 1025412710 /nfs/dbraw/zinc/41/27/10/1025412710.db2.gz WUHRPVCKPDGNQE-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@H]1C)N(C)C ZINC001102087005 1025412996 /nfs/dbraw/zinc/41/29/96/1025412996.db2.gz HZSGYROGVFVRLO-FSPWUOQZSA-N 1 3 351.560 2.889 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1C)N(C)C ZINC001102087005 1025413006 /nfs/dbraw/zinc/41/30/06/1025413006.db2.gz HZSGYROGVFVRLO-FSPWUOQZSA-N 1 3 351.560 2.889 20 0 FFADHO CN(C)CC(=O)N[C@@H]1CCCN(Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141122228 1025484018 /nfs/dbraw/zinc/48/40/18/1025484018.db2.gz SFTLYHNAOMXQGA-LJQANCHMSA-N 1 3 370.472 2.530 20 0 FFADHO C[NH+](C)CC(=O)N[C@@H]1CCCN(Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141122228 1025484033 /nfs/dbraw/zinc/48/40/33/1025484033.db2.gz SFTLYHNAOMXQGA-LJQANCHMSA-N 1 3 370.472 2.530 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638303206 1025775188 /nfs/dbraw/zinc/77/51/88/1025775188.db2.gz WWWIVDVRKJWZHZ-UHFFFAOYSA-N 1 3 356.514 2.814 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1F ZINC001102369894 1025828938 /nfs/dbraw/zinc/82/89/38/1025828938.db2.gz JSKARLLFLZXMFD-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1F ZINC001102369894 1025828943 /nfs/dbraw/zinc/82/89/43/1025828943.db2.gz JSKARLLFLZXMFD-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000638548579 1025885887 /nfs/dbraw/zinc/88/58/87/1025885887.db2.gz CICGJIRQCCXEBI-LSWJPFSZSA-N 1 3 370.585 2.828 20 0 FFADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)Cc1ccccc1 ZINC000638721097 1025951115 /nfs/dbraw/zinc/95/11/15/1025951115.db2.gz XBYIWKJMLUUCIA-QHCPKHFHSA-N 1 3 368.521 2.991 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001102430181 1025961493 /nfs/dbraw/zinc/96/14/93/1025961493.db2.gz IADMQEDFOZFUMD-CEXWTWQISA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001102430181 1025961502 /nfs/dbraw/zinc/96/15/02/1025961502.db2.gz IADMQEDFOZFUMD-CEXWTWQISA-N 1 3 365.562 2.504 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1C ZINC001102472274 1026039806 /nfs/dbraw/zinc/03/98/06/1026039806.db2.gz SELXVYSSSIIGCH-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1C ZINC001102472274 1026039828 /nfs/dbraw/zinc/03/98/28/1026039828.db2.gz SELXVYSSSIIGCH-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639471750 1026324028 /nfs/dbraw/zinc/32/40/28/1026324028.db2.gz FYJDXLJYOXKRLL-OAQYLSRUSA-N 1 3 355.526 2.984 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639471750 1026324038 /nfs/dbraw/zinc/32/40/38/1026324038.db2.gz FYJDXLJYOXKRLL-OAQYLSRUSA-N 1 3 355.526 2.984 20 0 FFADHO Cc1cc(C)c(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C)n1 ZINC000639500249 1026335573 /nfs/dbraw/zinc/33/55/73/1026335573.db2.gz LQTIPLKNUUWMBM-UHFFFAOYSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@]12COC[C@H]1CN(C[C@H](C[N@@H+]1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824630 1026487863 /nfs/dbraw/zinc/48/78/63/1026487863.db2.gz MRDHXWXADNIROP-HPAIXVDQSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@]12COC[C@H]1CN(C[C@H](C[N@H+]1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824630 1026487865 /nfs/dbraw/zinc/48/78/65/1026487865.db2.gz MRDHXWXADNIROP-HPAIXVDQSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@]12COC[C@H]1C[N@@H+](C[C@H](CN1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824630 1026487868 /nfs/dbraw/zinc/48/78/68/1026487868.db2.gz MRDHXWXADNIROP-HPAIXVDQSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@]12COC[C@H]1C[N@H+](C[C@H](CN1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824630 1026487871 /nfs/dbraw/zinc/48/78/71/1026487871.db2.gz MRDHXWXADNIROP-HPAIXVDQSA-N 1 3 370.537 2.707 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838768799 1026500303 /nfs/dbraw/zinc/50/03/03/1026500303.db2.gz OFJCDYLTCUSXJC-FQEVSTJZSA-N 1 3 360.546 2.534 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000838768799 1026500304 /nfs/dbraw/zinc/50/03/04/1026500304.db2.gz OFJCDYLTCUSXJC-FQEVSTJZSA-N 1 3 360.546 2.534 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087912 1026948237 /nfs/dbraw/zinc/94/82/37/1026948237.db2.gz PGRVTFMGICABKK-AHRSYUTCSA-N 1 3 361.574 2.981 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087912 1026948241 /nfs/dbraw/zinc/94/82/41/1026948241.db2.gz PGRVTFMGICABKK-AHRSYUTCSA-N 1 3 361.574 2.981 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)s1 ZINC001103111806 1026972249 /nfs/dbraw/zinc/97/22/49/1026972249.db2.gz PGDJQBLEPWLHNV-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)s1 ZINC001103111806 1026972257 /nfs/dbraw/zinc/97/22/57/1026972257.db2.gz PGDJQBLEPWLHNV-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1[nH]c(=O)c(CNc2cccc(N3CCC([NH3+])CC3)n2)c2c1CCCC2 ZINC001158494036 1027044472 /nfs/dbraw/zinc/04/44/72/1027044472.db2.gz DHAAAFDATAXCMN-UHFFFAOYSA-N 1 3 367.497 2.909 20 0 FFADHO CCOc1ccccc1OCCNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001158823340 1027147204 /nfs/dbraw/zinc/14/72/04/1027147204.db2.gz BHDGGXXJLHQJDM-UHFFFAOYSA-N 1 3 356.470 2.899 20 0 FFADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(N3CCCC3)cc3ccccc32)O1 ZINC001159243460 1027324836 /nfs/dbraw/zinc/32/48/36/1027324836.db2.gz OBVCORARKIDABG-OPYAIIAOSA-N 1 3 370.497 2.972 20 0 FFADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NC/C=C\C[NH3+] ZINC000641861816 1027336560 /nfs/dbraw/zinc/33/65/60/1027336560.db2.gz FJSHFHUYRKAOLR-IZRJCCQOSA-N 1 3 372.557 2.876 20 0 FFADHO Cc1cncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001103407627 1027416685 /nfs/dbraw/zinc/41/66/85/1027416685.db2.gz MIAXBBAKJKVCBJ-MISYRCLQSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1cncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001103407627 1027416690 /nfs/dbraw/zinc/41/66/90/1027416690.db2.gz MIAXBBAKJKVCBJ-MISYRCLQSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1cnc(CN2C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]3CCC[C@H]3C)C2)s1 ZINC001103434199 1027474003 /nfs/dbraw/zinc/47/40/03/1027474003.db2.gz UBQQFLHUVDTVLF-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CN2C[C@@H](C)[C@H](CCNC(=O)C[N@H+]3CCC[C@H]3C)C2)s1 ZINC001103434199 1027474013 /nfs/dbraw/zinc/47/40/13/1027474013.db2.gz UBQQFLHUVDTVLF-BFYDXBDKSA-N 1 3 364.559 2.510 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438507 1027483924 /nfs/dbraw/zinc/48/39/24/1027483924.db2.gz NBJDTFFKSUNIRO-RTBURBONSA-N 1 3 367.578 2.609 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438507 1027483936 /nfs/dbraw/zinc/48/39/36/1027483936.db2.gz NBJDTFFKSUNIRO-RTBURBONSA-N 1 3 367.578 2.609 20 0 FFADHO CC(C)COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439588 1027488777 /nfs/dbraw/zinc/48/87/77/1027488777.db2.gz JTJRDVHZILFJLR-RTBURBONSA-N 1 3 369.594 2.711 20 0 FFADHO CC(C)COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439588 1027488784 /nfs/dbraw/zinc/48/87/84/1027488784.db2.gz JTJRDVHZILFJLR-RTBURBONSA-N 1 3 369.594 2.711 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001159789249 1027498109 /nfs/dbraw/zinc/49/81/09/1027498109.db2.gz QLWBINDJOLVPOP-CYBMUJFWSA-N 1 3 359.783 2.599 20 0 FFADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)CCC1 ZINC001159862148 1027522033 /nfs/dbraw/zinc/52/20/33/1027522033.db2.gz XDNUPUQEWASNBB-IRXDYDNUSA-N 1 3 365.468 2.616 20 0 FFADHO CN1CCN(Cc2ccc(Nc3ccc(O[C@@H]4CC[NH2+]C4)cc3)cc2)CC1 ZINC001159923966 1027534928 /nfs/dbraw/zinc/53/49/28/1027534928.db2.gz SDFJFSMGHIXYAS-JOCHJYFZSA-N 1 3 366.509 2.918 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001103550159 1027666044 /nfs/dbraw/zinc/66/60/44/1027666044.db2.gz BRSFZIXXLIUALN-VQIMIIECSA-N 1 3 360.546 2.614 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001103550159 1027666051 /nfs/dbraw/zinc/66/60/51/1027666051.db2.gz BRSFZIXXLIUALN-VQIMIIECSA-N 1 3 360.546 2.614 20 0 FFADHO CN1CCN(Cc2ccc(Nc3cccc4c3[C@H]3C[NH2+]C[C@@H]3O4)cc2)CC1 ZINC001160397007 1027692503 /nfs/dbraw/zinc/69/25/03/1027692503.db2.gz XLWUYXHVJRJQMP-RXVVDRJESA-N 1 3 364.493 2.625 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(n2ccc3ccccc32)CC1 ZINC001160872641 1027906167 /nfs/dbraw/zinc/90/61/67/1027906167.db2.gz NQDBVXAAIHEVIW-LJQANCHMSA-N 1 3 366.509 2.679 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(n2ccc3ccccc32)CC1 ZINC001160872641 1027906181 /nfs/dbraw/zinc/90/61/81/1027906181.db2.gz NQDBVXAAIHEVIW-LJQANCHMSA-N 1 3 366.509 2.679 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001103663564 1027922526 /nfs/dbraw/zinc/92/25/26/1027922526.db2.gz IAHZTCILZQHTCQ-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001103663564 1027922531 /nfs/dbraw/zinc/92/25/31/1027922531.db2.gz IAHZTCILZQHTCQ-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)C2CC3(C[NH2+]C3)C2)cc1 ZINC001160958404 1027946821 /nfs/dbraw/zinc/94/68/21/1027946821.db2.gz VYAHJUWNPVNXJD-IBGZPJMESA-N 1 3 371.525 2.508 20 0 FFADHO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC001103677358 1027959363 /nfs/dbraw/zinc/95/93/63/1027959363.db2.gz YTWNESKETPKYTN-CRAIPNDOSA-N 1 3 370.497 2.544 20 0 FFADHO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC001103677358 1027959370 /nfs/dbraw/zinc/95/93/70/1027959370.db2.gz YTWNESKETPKYTN-CRAIPNDOSA-N 1 3 370.497 2.544 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643501554 1028025752 /nfs/dbraw/zinc/02/57/52/1028025752.db2.gz KNXNBOIVQOYAAB-GVDBMIGSSA-N 1 3 355.482 2.716 20 0 FFADHO Cc1cc(F)cc(CN(C(=O)C[C@@H]2CCNC[C@H]2F)C2CC[NH2+]CC2)c1 ZINC001161281608 1028112733 /nfs/dbraw/zinc/11/27/33/1028112733.db2.gz JFMZCLNJEHDYCC-QFBILLFUSA-N 1 3 365.468 2.552 20 0 FFADHO CCOc1ccc2ccccc2c1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161453115 1028184404 /nfs/dbraw/zinc/18/44/04/1028184404.db2.gz ZICQBEAKFVKCRM-GOSISDBHSA-N 1 3 369.509 2.994 20 0 FFADHO NCc1cc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)ncn1 ZINC001162052090 1028414672 /nfs/dbraw/zinc/41/46/72/1028414672.db2.gz NCMGSDMGYKMUFK-UHFFFAOYSA-N 1 3 365.403 2.731 20 0 FFADHO COc1ccnc(C(C)(C)CNc2cccc(N3CCC([NH3+])CC3)n2)c1 ZINC001162130800 1028444860 /nfs/dbraw/zinc/44/48/60/1028444860.db2.gz LFMZUQYVDKESKZ-UHFFFAOYSA-N 1 3 355.486 2.802 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc3ccccc3c2)CCCO1 ZINC000644632255 1028595321 /nfs/dbraw/zinc/59/53/21/1028595321.db2.gz HTLJUTAFHLSTLX-WIYYLYMNSA-N 1 3 372.509 2.670 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc3ccccc3c2)CCCO1 ZINC000644632255 1028595328 /nfs/dbraw/zinc/59/53/28/1028595328.db2.gz HTLJUTAFHLSTLX-WIYYLYMNSA-N 1 3 372.509 2.670 20 0 FFADHO [NH3+]CCc1cn(-c2nc(Cl)nc3c2CCNC3)c2cccc(Cl)c12 ZINC001162654129 1028611682 /nfs/dbraw/zinc/61/16/82/1028611682.db2.gz PGTRPIKKWKGMBK-UHFFFAOYSA-N 1 3 362.264 2.874 20 0 FFADHO CC[NH+](CC)CCNC(=N)Nc1nc(Cl)nc2cccc(OC)c21 ZINC001163126326 1028813315 /nfs/dbraw/zinc/81/33/15/1028813315.db2.gz QVLWRINXVYLNOD-UHFFFAOYSA-N 1 3 350.854 2.570 20 0 FFADHO CC[NH+](CC)CCNC(=N)NC(F)(F)C1(c2ccnc(Cl)c2)CC1 ZINC001163129829 1028816369 /nfs/dbraw/zinc/81/63/69/1028816369.db2.gz RFAIMGRJIHWPKG-UHFFFAOYSA-N 1 3 359.852 2.815 20 0 FFADHO CCN(CC)CCNC(=[NH2+])NC(F)(F)C1(c2ccnc(Cl)c2)CC1 ZINC001163129829 1028816386 /nfs/dbraw/zinc/81/63/86/1028816386.db2.gz RFAIMGRJIHWPKG-UHFFFAOYSA-N 1 3 359.852 2.815 20 0 FFADHO O=C(c1cccc2c[nH+]cn21)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001155794078 1028913828 /nfs/dbraw/zinc/91/38/28/1028913828.db2.gz JLHIHIDDANXCEU-GOEBONIOSA-N 1 3 367.478 2.527 20 0 FFADHO CCC[NH2+][C@@H]1CCc2c(sc(=N)n2-c2ccc(CN(C)C3CC3)cn2)C1 ZINC001165105378 1029392553 /nfs/dbraw/zinc/39/25/53/1029392553.db2.gz HCAFQEQFVKKHSF-OAHLLOKOSA-N 1 3 371.554 2.864 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCOC(C)C)C2)N(CC)CC ZINC001111869975 1029649480 /nfs/dbraw/zinc/64/94/80/1029649480.db2.gz UIQPJIRYEZXPIU-ZJOUEHCJSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCOC(C)C)C2)N(CC)CC ZINC001111869975 1029649485 /nfs/dbraw/zinc/64/94/85/1029649485.db2.gz UIQPJIRYEZXPIU-ZJOUEHCJSA-N 1 3 367.578 2.893 20 0 FFADHO Cc1nc2cc(F)ccc2c(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157838006 1029672845 /nfs/dbraw/zinc/67/28/45/1029672845.db2.gz NLDATZHPUUOKAW-UHFFFAOYSA-N 1 3 357.477 2.541 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccnc(Cc4ccccc4)n3)CC2)CC1 ZINC001157842837 1029674291 /nfs/dbraw/zinc/67/42/91/1029674291.db2.gz ZWELPMUPVOBFNU-UHFFFAOYSA-N 1 3 365.525 2.531 20 0 FFADHO CN[C@H](C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1)[C@@H](C)OC(C)(C)C ZINC001158028456 1029711586 /nfs/dbraw/zinc/71/15/86/1029711586.db2.gz RGEQZQXRBWABOQ-UWVAXJGDSA-N 1 3 353.551 2.550 20 0 FFADHO N[C@]1(C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCc2cc(F)ccc2C1 ZINC001158031347 1029712129 /nfs/dbraw/zinc/71/21/29/1029712129.db2.gz LUYFRMYPNXYWPF-FGZHOGPDSA-N 1 3 373.516 2.784 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])cc2)CC1 ZINC000841017167 1029979565 /nfs/dbraw/zinc/97/95/65/1029979565.db2.gz AYPCIYOAKUYJHZ-APWZRJJASA-N 1 3 359.518 2.562 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(CC3(C[NH3+])CC3)CC2)C1 ZINC000841103476 1030039704 /nfs/dbraw/zinc/03/97/04/1030039704.db2.gz WPJFFEGQOWEHLK-SJORKVTESA-N 1 3 367.534 2.510 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)N(C)Cc1ccccc1 ZINC000841805691 1030476648 /nfs/dbraw/zinc/47/66/48/1030476648.db2.gz QIDTVDNXTGLEHB-KRWDZBQOSA-N 1 3 354.498 2.508 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCOCC)C1 ZINC001112382103 1030707875 /nfs/dbraw/zinc/70/78/75/1030707875.db2.gz FBLHCXJABPHSQO-ZVDOUQERSA-N 1 3 365.562 2.506 20 0 FFADHO c1nc2cccc(C[N@H+]3CCc4ncc(CN5CCCCC5)n4CC3)c2[nH]1 ZINC001142683461 1030722512 /nfs/dbraw/zinc/72/25/12/1030722512.db2.gz OHTIMWUALQFORR-UHFFFAOYSA-N 1 3 364.497 2.804 20 0 FFADHO c1nc2cccc(C[N@@H+]3CCc4ncc(CN5CCCCC5)n4CC3)c2[nH]1 ZINC001142683461 1030722530 /nfs/dbraw/zinc/72/25/30/1030722530.db2.gz OHTIMWUALQFORR-UHFFFAOYSA-N 1 3 364.497 2.804 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1)C1CC1 ZINC001112399183 1030743911 /nfs/dbraw/zinc/74/39/11/1030743911.db2.gz GIXZHJYAEQDEHT-FUDKSRODSA-N 1 3 369.553 2.788 20 0 FFADHO c1nc2n(c1C[NH+]1CCCCC1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC001204052926 1031063994 /nfs/dbraw/zinc/06/39/94/1031063994.db2.gz WVFYKEOYBMGZNQ-UHFFFAOYSA-N 1 3 368.481 2.656 20 0 FFADHO COc1cccc2cc(CN3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)oc21 ZINC000843058270 1031166936 /nfs/dbraw/zinc/16/69/36/1031166936.db2.gz QPQZCNDSVFDEEN-QAPCUYQASA-N 1 3 371.481 2.522 20 0 FFADHO CN1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)[C@H](c2ccccc2)C1 ZINC001204692105 1031412745 /nfs/dbraw/zinc/41/27/45/1031412745.db2.gz RTUSTKWYTDWCQB-QHCPKHFHSA-N 1 3 364.537 2.581 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001204952936 1031476002 /nfs/dbraw/zinc/47/60/02/1031476002.db2.gz PFDRBCHBECAMAQ-OAQYLSRUSA-N 1 3 367.493 2.892 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001204952936 1031476009 /nfs/dbraw/zinc/47/60/09/1031476009.db2.gz PFDRBCHBECAMAQ-OAQYLSRUSA-N 1 3 367.493 2.892 20 0 FFADHO [NH3+]C[C@@]1(O)CCCN(Cc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001205240104 1031619009 /nfs/dbraw/zinc/61/90/09/1031619009.db2.gz IGDBNTGAWBFCSJ-QGZVFWFLSA-N 1 3 368.403 2.567 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCF)C1)N(C)C ZINC001205414937 1031725300 /nfs/dbraw/zinc/72/53/00/1031725300.db2.gz BJRCYHCMKRDNFW-OTWHNJEPSA-N 1 3 367.484 2.656 20 0 FFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205428665 1031737459 /nfs/dbraw/zinc/73/74/59/1031737459.db2.gz HGSMZEXUNFNPAS-YTQUADARSA-N 1 3 367.484 2.800 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205434265 1031741928 /nfs/dbraw/zinc/74/19/28/1031741928.db2.gz CCGKQEJUOKNGCY-LSTHTHJFSA-N 1 3 361.505 2.852 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC/C=C/Cl)C1 ZINC001205449411 1031756386 /nfs/dbraw/zinc/75/63/86/1031756386.db2.gz UOFPKPKFVTWIEK-MXDAGHGGSA-N 1 3 367.896 2.804 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC/C=C/Cl)C1 ZINC001205449411 1031756401 /nfs/dbraw/zinc/75/64/01/1031756401.db2.gz UOFPKPKFVTWIEK-MXDAGHGGSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC001205531140 1031816681 /nfs/dbraw/zinc/81/66/81/1031816681.db2.gz XSXJCZNBBAPSKG-KRWDZBQOSA-N 1 3 353.304 2.873 20 0 FFADHO COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCCC[C@](O)(CN)C3)c2)cc1 ZINC001205726115 1031957284 /nfs/dbraw/zinc/95/72/84/1031957284.db2.gz OKTFBAYXQRHXEV-QFIPXVFZSA-N 1 3 368.477 2.816 20 0 FFADHO COC(=O)c1ccc(-c2cccc(C[N@H+]3CCCC[C@](O)(CN)C3)c2)cc1 ZINC001205726115 1031957286 /nfs/dbraw/zinc/95/72/86/1031957286.db2.gz OKTFBAYXQRHXEV-QFIPXVFZSA-N 1 3 368.477 2.816 20 0 FFADHO COC(=O)c1ccc(-c2cccc(CN3CCCC[C@](O)(C[NH3+])C3)c2)cc1 ZINC001205726115 1031957289 /nfs/dbraw/zinc/95/72/89/1031957289.db2.gz OKTFBAYXQRHXEV-QFIPXVFZSA-N 1 3 368.477 2.816 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1)N1CCCC1 ZINC001223245521 1033355259 /nfs/dbraw/zinc/35/52/59/1033355259.db2.gz DGJHZROIKHLCCG-MSOLQXFVSA-N 1 3 353.526 2.923 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1)N1CCCC1 ZINC001223245521 1033355271 /nfs/dbraw/zinc/35/52/71/1033355271.db2.gz DGJHZROIKHLCCG-MSOLQXFVSA-N 1 3 353.526 2.923 20 0 FFADHO COc1cccc([C@H](N)CC(=O)Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)c1 ZINC001219236539 1033566901 /nfs/dbraw/zinc/56/69/01/1033566901.db2.gz WIENRWSXXJSWPO-OXQOHEQNSA-N 1 3 368.481 2.651 20 0 FFADHO [NH3+][C@H](C(=O)NCCN1CCC(Cc2ccccc2)CC1)C1CCCCC1 ZINC001219669260 1033742246 /nfs/dbraw/zinc/74/22/46/1033742246.db2.gz ROPOGOXEQGKWKY-NRFANRHFSA-N 1 3 357.542 2.965 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2CCN(Cc3ccccn3)[C@H]2C1 ZINC001224153690 1033743597 /nfs/dbraw/zinc/74/35/97/1033743597.db2.gz UOSZOKHYRHMDBQ-CTNGQTDRSA-N 1 3 370.541 2.771 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922722 1033892221 /nfs/dbraw/zinc/89/22/21/1033892221.db2.gz CYVRXJGMRFRQAA-ZSQQTYLHSA-N 1 3 365.562 2.547 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922722 1033892233 /nfs/dbraw/zinc/89/22/33/1033892233.db2.gz CYVRXJGMRFRQAA-ZSQQTYLHSA-N 1 3 365.562 2.547 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001220220735 1034055896 /nfs/dbraw/zinc/05/58/96/1034055896.db2.gz COTLNFGCWRRDCB-FHWLQOOXSA-N 1 3 361.530 2.723 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC001220273005 1034088580 /nfs/dbraw/zinc/08/85/80/1034088580.db2.gz WIIHOLFHFOFVAG-FQEVSTJZSA-N 1 3 369.509 2.941 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)NC/C(=C/F)CCc1ccc(F)cc1 ZINC001220431443 1034170282 /nfs/dbraw/zinc/17/02/82/1034170282.db2.gz GUYHUCNEVCCYIS-QCUIPMNBSA-N 1 3 353.457 2.787 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC001221472722 1034797754 /nfs/dbraw/zinc/79/77/54/1034797754.db2.gz OJOXZRHKWDOJEW-MJGOQNOKSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC001221472722 1034797763 /nfs/dbraw/zinc/79/77/63/1034797763.db2.gz OJOXZRHKWDOJEW-MJGOQNOKSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001221495675 1034821877 /nfs/dbraw/zinc/82/18/77/1034821877.db2.gz PXQVOUGWGKLQGS-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C)c1)N(C)C ZINC001227038836 1034916948 /nfs/dbraw/zinc/91/69/48/1034916948.db2.gz MYJZRNOMGGXEMC-VAMGGRTRSA-N 1 3 361.530 2.731 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001227150368 1034951413 /nfs/dbraw/zinc/95/14/13/1034951413.db2.gz PCZZFYFKECUMKH-GVDBMIGSSA-N 1 3 353.551 2.549 20 0 FFADHO CCc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227158521 1034955394 /nfs/dbraw/zinc/95/53/94/1034955394.db2.gz LTWHQCFTAOSPCO-QZTJIDSGSA-N 1 3 364.534 2.793 20 0 FFADHO CCc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227158521 1034955401 /nfs/dbraw/zinc/95/54/01/1034955401.db2.gz LTWHQCFTAOSPCO-QZTJIDSGSA-N 1 3 364.534 2.793 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001221791535 1035073527 /nfs/dbraw/zinc/07/35/27/1035073527.db2.gz QLMCAGPTRRZLOQ-NHCUHLMSSA-N 1 3 355.526 2.939 20 0 FFADHO O=C1N(CC(F)(F)F)CC[C@@]12CC[N@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001277282920 1036019347 /nfs/dbraw/zinc/01/93/47/1036019347.db2.gz MRTNDVFXDXNCMI-MRXNPFEDSA-N 1 3 352.360 2.550 20 0 FFADHO O=C1N(CC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001277282920 1036019372 /nfs/dbraw/zinc/01/93/72/1036019372.db2.gz MRTNDVFXDXNCMI-MRXNPFEDSA-N 1 3 352.360 2.550 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001228931466 1036413894 /nfs/dbraw/zinc/41/38/94/1036413894.db2.gz BVKZJQOVSUAVDQ-GUDVDZBRSA-N 1 3 353.551 2.693 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)N(C)C)cc1 ZINC001228953127 1036428873 /nfs/dbraw/zinc/42/88/73/1036428873.db2.gz GJHOHAXVPCQMON-YJBOKZPZSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@@H]2C)N(C)C)cc1 ZINC001228953127 1036428883 /nfs/dbraw/zinc/42/88/83/1036428883.db2.gz GJHOHAXVPCQMON-YJBOKZPZSA-N 1 3 364.559 2.795 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(OC)c1 ZINC001229230531 1036566442 /nfs/dbraw/zinc/56/64/42/1036566442.db2.gz JANNNEBXHCOXHL-RTBURBONSA-N 1 3 361.530 2.862 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C)cc1)N(C)C ZINC001229746280 1036865755 /nfs/dbraw/zinc/86/57/55/1036865755.db2.gz JHVDDFYVWVFMJT-AQNXPRMDSA-N 1 3 361.530 2.731 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1C ZINC001229869163 1036947486 /nfs/dbraw/zinc/94/74/86/1036947486.db2.gz ZVBOLZLIJNUUMJ-RTBURBONSA-N 1 3 361.530 2.862 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001230257560 1037180216 /nfs/dbraw/zinc/18/02/16/1037180216.db2.gz VGVYUJZYZKUKEN-IAGOWNOFSA-N 1 3 350.532 2.536 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001207281445 1037311766 /nfs/dbraw/zinc/31/17/66/1037311766.db2.gz DJGWAWFZZUTJEV-QFIPXVFZSA-N 1 3 355.526 2.975 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001207281915 1037314992 /nfs/dbraw/zinc/31/49/92/1037314992.db2.gz JSVZYVABRVWNNM-OXJNMPFZSA-N 1 3 365.493 2.811 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001207281915 1037315001 /nfs/dbraw/zinc/31/50/01/1037315001.db2.gz JSVZYVABRVWNNM-OXJNMPFZSA-N 1 3 365.493 2.811 20 0 FFADHO c1ccc2c(c1)C[NH2+]CC21CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001235087431 1037357383 /nfs/dbraw/zinc/35/73/83/1037357383.db2.gz XVVFVABCTHOJQL-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc2c(c1)C[NH2+]CC21CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001235087431 1037357398 /nfs/dbraw/zinc/35/73/98/1037357398.db2.gz XVVFVABCTHOJQL-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001230896282 1037400394 /nfs/dbraw/zinc/40/03/94/1037400394.db2.gz MQEVDHPCWUYDNN-GNZRSQJKSA-N 1 3 350.551 2.956 20 0 FFADHO COc1ccc(OC)c(CN2CCN(CCC3CC[NH+](C)CC3)CC2)c1 ZINC001207484612 1037481486 /nfs/dbraw/zinc/48/14/86/1037481486.db2.gz QQQLVOMVCCLZGU-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO C[NH+]1CCC(CCN2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001207488045 1037486621 /nfs/dbraw/zinc/48/66/21/1037486621.db2.gz CXQZDSBVNSUDEE-UHFFFAOYSA-N 1 3 365.525 2.998 20 0 FFADHO CC(C)Oc1ncnc2c1CCN(Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235488388 1037584407 /nfs/dbraw/zinc/58/44/07/1037584407.db2.gz CRXZPARYBSWAPW-UHFFFAOYSA-N 1 3 352.482 2.510 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@@H+](C)C(C)(C)CC3)C2)cc1 ZINC001235506462 1037594449 /nfs/dbraw/zinc/59/44/49/1037594449.db2.gz JPMZKABFVLGATE-LJQANCHMSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@H+](C)C(C)(C)CC3)C2)cc1 ZINC001235506462 1037594459 /nfs/dbraw/zinc/59/44/59/1037594459.db2.gz JPMZKABFVLGATE-LJQANCHMSA-N 1 3 358.530 2.695 20 0 FFADHO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccc5c(c4)C[NH2+]C5)CCN3C2)c1 ZINC001235598082 1037636193 /nfs/dbraw/zinc/63/61/93/1037636193.db2.gz RVSRNACKROUKTM-IRLDBZIGSA-N 1 3 367.468 2.766 20 0 FFADHO [NH3+]CCCCCN1CCN(c2ccc(I)cc2)CC1 ZINC001235978833 1037871386 /nfs/dbraw/zinc/87/13/86/1037871386.db2.gz KKYJCEZOGJLEGC-UHFFFAOYSA-N 1 3 373.282 2.542 20 0 FFADHO CN(C)Cc1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236008311 1037887707 /nfs/dbraw/zinc/88/77/07/1037887707.db2.gz FJXHBMIXCRWNDG-IRLDBZIGSA-N 1 3 353.485 2.860 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001208106096 1038038822 /nfs/dbraw/zinc/03/88/22/1038038822.db2.gz FMNFCGLDBHDIPU-QHAWAJNXSA-N 1 3 373.541 2.810 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ncccc3C(F)(F)F)CC2)CC1 ZINC001231965482 1038054603 /nfs/dbraw/zinc/05/46/03/1038054603.db2.gz XQKTTWATUOYOBF-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO Cc1ccnc(O[C@@H]2CCCN(Cc3ccccc3N3CC[NH2+]CC3)C2)c1 ZINC001236533727 1038122034 /nfs/dbraw/zinc/12/20/34/1038122034.db2.gz ZPYUCBKKIFGUTQ-HXUWFJFHSA-N 1 3 366.509 2.843 20 0 FFADHO CN(C)CC1(C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)CCCC1 ZINC001208188355 1038124168 /nfs/dbraw/zinc/12/41/68/1038124168.db2.gz YOKPJMBVDDSAIJ-UHFFFAOYSA-N 1 3 369.513 2.550 20 0 FFADHO CCN(Cc1ccc(C[NH3+])cc1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001236632877 1038164891 /nfs/dbraw/zinc/16/48/91/1038164891.db2.gz BVQLIHNECGYRIF-JOCHJYFZSA-N 1 3 353.510 2.868 20 0 FFADHO Cc1ccc(C[C@@H](C)[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001255789955 1038167926 /nfs/dbraw/zinc/16/79/26/1038167926.db2.gz UWLNEUHCUUVAST-LJQANCHMSA-N 1 3 367.537 2.750 20 0 FFADHO Cc1ccc(C[C@@H](C)[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001255789955 1038167934 /nfs/dbraw/zinc/16/79/34/1038167934.db2.gz UWLNEUHCUUVAST-LJQANCHMSA-N 1 3 367.537 2.750 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001255960027 1038274241 /nfs/dbraw/zinc/27/42/41/1038274241.db2.gz CQBBIEXGXYJZLP-KSEOMHKRSA-N 1 3 374.573 2.725 20 0 FFADHO O=C(N1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1)C(F)(F)F ZINC001255980446 1038289022 /nfs/dbraw/zinc/28/90/22/1038289022.db2.gz UKQZLFMIGRDURI-HNNXBMFYSA-N 1 3 373.463 2.950 20 0 FFADHO CCOC(=O)N1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001256037873 1038331915 /nfs/dbraw/zinc/33/19/15/1038331915.db2.gz KCCOIOFJZJUBLH-LJQANCHMSA-N 1 3 357.498 2.815 20 0 FFADHO CC(C)N1CCN(CC[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001256303647 1038473270 /nfs/dbraw/zinc/47/32/70/1038473270.db2.gz TZXKYJAABZYDAR-UHFFFAOYSA-N 1 3 364.965 2.924 20 0 FFADHO CC(=O)N1CCC(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001208674992 1038481369 /nfs/dbraw/zinc/48/13/69/1038481369.db2.gz JNDJFKNBPNUGIR-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO CC(=O)N1CCC(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001208674992 1038481375 /nfs/dbraw/zinc/48/13/75/1038481375.db2.gz JNDJFKNBPNUGIR-UHFFFAOYSA-N 1 3 355.526 2.768 20 0 FFADHO COCCOc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1F ZINC001256680959 1038600436 /nfs/dbraw/zinc/60/04/36/1038600436.db2.gz GJYZKDBDXOGRPD-UHFFFAOYSA-N 1 3 366.477 2.584 20 0 FFADHO C[C@H](CC[NH2+]C1CCC(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001256685239 1038601628 /nfs/dbraw/zinc/60/16/28/1038601628.db2.gz AJGMIJJLJIJDGT-KLAILNCOSA-N 1 3 355.523 2.523 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](C[NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256688619 1038604381 /nfs/dbraw/zinc/60/43/81/1038604381.db2.gz HOWDVNHOAFVHOG-WWDZGPRUSA-N 1 3 360.498 2.577 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCC[C@H](Oc4cnccn4)C3)C2)cc1 ZINC001208963024 1038609253 /nfs/dbraw/zinc/60/92/53/1038609253.db2.gz OBIHCQMAYATLKM-UXHICEINSA-N 1 3 352.482 2.842 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@H+]3CCC[C@H](Oc4cnccn4)C3)C2)cc1 ZINC001208963024 1038609255 /nfs/dbraw/zinc/60/92/55/1038609255.db2.gz OBIHCQMAYATLKM-UXHICEINSA-N 1 3 352.482 2.842 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256848903 1038634012 /nfs/dbraw/zinc/63/40/12/1038634012.db2.gz JOLLAFPKYNDXSR-SJORKVTESA-N 1 3 364.465 2.597 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3cnc4[nH]ccc4c3)(C1)CCC2 ZINC001278986735 1038685324 /nfs/dbraw/zinc/68/53/24/1038685324.db2.gz DPVSGOOMTHQPEP-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001278987022 1038686171 /nfs/dbraw/zinc/68/61/71/1038686171.db2.gz MMCHEEMAMIAJGY-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001278987022 1038686174 /nfs/dbraw/zinc/68/61/74/1038686174.db2.gz MMCHEEMAMIAJGY-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO COCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209216572 1038718294 /nfs/dbraw/zinc/71/82/94/1038718294.db2.gz ZVLMPFUPSOSSTQ-SFTDATJTSA-N 1 3 350.547 2.874 20 0 FFADHO COCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209216572 1038718304 /nfs/dbraw/zinc/71/83/04/1038718304.db2.gz ZVLMPFUPSOSSTQ-SFTDATJTSA-N 1 3 350.547 2.874 20 0 FFADHO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3CCCN2CCCCC2)cs1 ZINC001209451434 1038880635 /nfs/dbraw/zinc/88/06/35/1038880635.db2.gz WYUYLYHAQJIKGN-ZWKOTPCHSA-N 1 3 362.543 2.503 20 0 FFADHO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3CCCN2CCCCC2)cs1 ZINC001209451434 1038880663 /nfs/dbraw/zinc/88/06/63/1038880663.db2.gz WYUYLYHAQJIKGN-ZWKOTPCHSA-N 1 3 362.543 2.503 20 0 FFADHO O[C@H](CN[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)COCc1c(Cl)cccc1Cl ZINC001245985609 1039176329 /nfs/dbraw/zinc/17/63/29/1039176329.db2.gz RNLPEUQKWALPDA-ZXTQRBJTSA-N 1 3 373.324 2.849 20 0 FFADHO O[C@@H](CNC[C@H]1CCC[NH2+]C1)COc1cccc2[nH]c3ccccc3c21 ZINC001245984098 1039177121 /nfs/dbraw/zinc/17/71/21/1039177121.db2.gz VCBIJZXCNUCFHV-HOTGVXAUSA-N 1 3 353.466 2.650 20 0 FFADHO COc1cccc(OC)c1CN1CCC(NC[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246106021 1039244597 /nfs/dbraw/zinc/24/45/97/1039244597.db2.gz COEDCDUFZYRIHT-FUHWJXTLSA-N 1 3 361.530 2.646 20 0 FFADHO COc1cccc(OC)c1CN1CCC([NH2+]C[C@H]2CC[C@H](C)CN2)CC1 ZINC001246106021 1039244598 /nfs/dbraw/zinc/24/45/98/1039244598.db2.gz COEDCDUFZYRIHT-FUHWJXTLSA-N 1 3 361.530 2.646 20 0 FFADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246302058 1039305268 /nfs/dbraw/zinc/30/52/68/1039305268.db2.gz VOULJLFWBRGZHS-WCVJEAGWSA-N 1 3 370.534 2.782 20 0 FFADHO CCCOC1CCC([N@@H+]2C[C@@H]3CNCCC[C@]3(C(=O)OCC)C2)CC1 ZINC001246602645 1039411132 /nfs/dbraw/zinc/41/11/32/1039411132.db2.gz IIPWCBASHDAHGC-NNZWXOEDSA-N 1 3 352.519 2.589 20 0 FFADHO CCCOC1CCC([N@H+]2C[C@@H]3CNCCC[C@]3(C(=O)OCC)C2)CC1 ZINC001246602645 1039411141 /nfs/dbraw/zinc/41/11/41/1039411141.db2.gz IIPWCBASHDAHGC-NNZWXOEDSA-N 1 3 352.519 2.589 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CCCN3Cc3ccn(C)n3)CC2)CC1 ZINC001258774908 1039509378 /nfs/dbraw/zinc/50/93/78/1039509378.db2.gz SSZYRFSWWSIGIX-UHFFFAOYSA-N 1 3 359.562 2.725 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC001252408612 1039533251 /nfs/dbraw/zinc/53/32/51/1039533251.db2.gz GNXYYWOEVDUWAL-HBMCJLEFSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC001252408612 1039533260 /nfs/dbraw/zinc/53/32/60/1039533260.db2.gz GNXYYWOEVDUWAL-HBMCJLEFSA-N 1 3 370.541 2.885 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOc2ccc(C)cc2)C[C@H]1C ZINC001210499318 1039587342 /nfs/dbraw/zinc/58/73/42/1039587342.db2.gz WPUAQLXRZPTSLF-UYAOXDASSA-N 1 3 361.530 2.542 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOc2ccc(C)cc2)C[C@H]1C ZINC001210499318 1039587354 /nfs/dbraw/zinc/58/73/54/1039587354.db2.gz WPUAQLXRZPTSLF-UYAOXDASSA-N 1 3 361.530 2.542 20 0 FFADHO O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccco1 ZINC001252651031 1039632968 /nfs/dbraw/zinc/63/29/68/1039632968.db2.gz PREMDCSCHLNTIZ-WOZUAGRISA-N 1 3 370.493 2.942 20 0 FFADHO O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccco1 ZINC001252651031 1039632977 /nfs/dbraw/zinc/63/29/77/1039632977.db2.gz PREMDCSCHLNTIZ-WOZUAGRISA-N 1 3 370.493 2.942 20 0 FFADHO CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@](C)(O)c1ccccc1 ZINC001253127872 1039992880 /nfs/dbraw/zinc/99/28/80/1039992880.db2.gz ZAQJLYDNOXJPMB-VSKRKVRLSA-N 1 3 354.494 2.773 20 0 FFADHO CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@](C)(O)c1ccccc1 ZINC001253127872 1039992894 /nfs/dbraw/zinc/99/28/94/1039992894.db2.gz ZAQJLYDNOXJPMB-VSKRKVRLSA-N 1 3 354.494 2.773 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001253186918 1040029579 /nfs/dbraw/zinc/02/95/79/1040029579.db2.gz UFKVQJKOUKKUNB-AGOPTVSRSA-N 1 3 358.526 2.886 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001253186918 1040029595 /nfs/dbraw/zinc/02/95/95/1040029595.db2.gz UFKVQJKOUKKUNB-AGOPTVSRSA-N 1 3 358.526 2.886 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+](C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253191666 1040032668 /nfs/dbraw/zinc/03/26/68/1040032668.db2.gz CEWXPLOWOCMUSL-MSOLQXFVSA-N 1 3 371.566 2.799 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+](C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001253191666 1040032673 /nfs/dbraw/zinc/03/26/73/1040032673.db2.gz CEWXPLOWOCMUSL-MSOLQXFVSA-N 1 3 371.566 2.799 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001253212097 1040048595 /nfs/dbraw/zinc/04/85/95/1040048595.db2.gz MDBCDUZZLHBBCN-IBGZPJMESA-N 1 3 353.938 2.597 20 0 FFADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCc2ccc(Br)cc2C1 ZINC001253214303 1040052238 /nfs/dbraw/zinc/05/22/38/1040052238.db2.gz ZIIKYRLEWUZNAM-IAGOWNOFSA-N 1 3 355.320 2.599 20 0 FFADHO COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001211310149 1040074528 /nfs/dbraw/zinc/07/45/28/1040074528.db2.gz QXPCPRGUFPZOHF-YLJYHZDGSA-N 1 3 359.514 2.508 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001253405897 1040156897 /nfs/dbraw/zinc/15/68/97/1040156897.db2.gz UUDOXEQUQNBTKA-OXJNMPFZSA-N 1 3 371.566 2.752 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccc(C)cn4)C[C@H]3CC2)n(C)n1 ZINC001278727863 1040215999 /nfs/dbraw/zinc/21/59/99/1040215999.db2.gz QWHULKIEYNSZME-KDURUIRLSA-N 1 3 353.514 2.776 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4ccc(C)cn4)C[C@H]3CC2)n(C)n1 ZINC001278727863 1040216001 /nfs/dbraw/zinc/21/60/01/1040216001.db2.gz QWHULKIEYNSZME-KDURUIRLSA-N 1 3 353.514 2.776 20 0 FFADHO OCc1ccc2c(c1)CC[N@@H+](CC1(O)CCN(Cc3ccccc3)CC1)C2 ZINC001254034183 1040535288 /nfs/dbraw/zinc/53/52/88/1040535288.db2.gz HCCZLZBHUOJZHE-UHFFFAOYSA-N 1 3 366.505 2.564 20 0 FFADHO OCc1ccc2c(c1)CC[N@H+](CC1(O)CCN(Cc3ccccc3)CC1)C2 ZINC001254034183 1040535308 /nfs/dbraw/zinc/53/53/08/1040535308.db2.gz HCCZLZBHUOJZHE-UHFFFAOYSA-N 1 3 366.505 2.564 20 0 FFADHO OC1(C[N@@H+]2CC[C@H](c3ccccn3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038451 1040536778 /nfs/dbraw/zinc/53/67/78/1040536778.db2.gz IJUSPUNHFMUVRM-FQEVSTJZSA-N 1 3 351.494 2.898 20 0 FFADHO OC1(C[N@H+]2CC[C@H](c3ccccn3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038451 1040536796 /nfs/dbraw/zinc/53/67/96/1040536796.db2.gz IJUSPUNHFMUVRM-FQEVSTJZSA-N 1 3 351.494 2.898 20 0 FFADHO OC1(CN2CCC[C@H]2c2cnccn2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038630 1040537035 /nfs/dbraw/zinc/53/70/35/1040537035.db2.gz LBIXMDRJPVOPII-FQEVSTJZSA-N 1 3 352.482 2.641 20 0 FFADHO OC1(C[N@@H+]2CCC[C@H]2c2cnccn2)CCN(Cc2ccccc2)CC1 ZINC001254038630 1040537054 /nfs/dbraw/zinc/53/70/54/1040537054.db2.gz LBIXMDRJPVOPII-FQEVSTJZSA-N 1 3 352.482 2.641 20 0 FFADHO OC1(C[N@H+]2CCC[C@H]2c2cnccn2)CCN(Cc2ccccc2)CC1 ZINC001254038630 1040537073 /nfs/dbraw/zinc/53/70/73/1040537073.db2.gz LBIXMDRJPVOPII-FQEVSTJZSA-N 1 3 352.482 2.641 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC001254369299 1040685267 /nfs/dbraw/zinc/68/52/67/1040685267.db2.gz OEBXLCQHLGGLQJ-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC001254369299 1040685271 /nfs/dbraw/zinc/68/52/71/1040685271.db2.gz OEBXLCQHLGGLQJ-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCCN(C)C1 ZINC001254369299 1040685278 /nfs/dbraw/zinc/68/52/78/1040685278.db2.gz OEBXLCQHLGGLQJ-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCCN(C)C1 ZINC001254369299 1040685286 /nfs/dbraw/zinc/68/52/86/1040685286.db2.gz OEBXLCQHLGGLQJ-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCCC[N@@H+](C)C3)C2)cc1 ZINC001254473023 1040739435 /nfs/dbraw/zinc/73/94/35/1040739435.db2.gz AMLQVCHSMGEZBK-PMACEKPBSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC001254473023 1040739447 /nfs/dbraw/zinc/73/94/47/1040739447.db2.gz AMLQVCHSMGEZBK-PMACEKPBSA-N 1 3 358.530 2.600 20 0 FFADHO CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+]([C@@H]1CCCN(C)CC1)CC2 ZINC001254520151 1040771012 /nfs/dbraw/zinc/77/10/12/1040771012.db2.gz MBLNRNGUHSRSDO-OAHLLOKOSA-N 1 3 364.559 2.510 20 0 FFADHO CCN(CC)C(=O)c1nc2c(s1)CC[N@H+]([C@@H]1CCCN(C)CC1)CC2 ZINC001254520151 1040771023 /nfs/dbraw/zinc/77/10/23/1040771023.db2.gz MBLNRNGUHSRSDO-OAHLLOKOSA-N 1 3 364.559 2.510 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001254522708 1040773686 /nfs/dbraw/zinc/77/36/86/1040773686.db2.gz PCUDQKLDMIOGBH-XSDIEEQYSA-N 1 3 359.514 2.562 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001254522708 1040773697 /nfs/dbraw/zinc/77/36/97/1040773697.db2.gz PCUDQKLDMIOGBH-XSDIEEQYSA-N 1 3 359.514 2.562 20 0 FFADHO CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cc(Cl)ccc12 ZINC001278808418 1040923738 /nfs/dbraw/zinc/92/37/38/1040923738.db2.gz ONGZZCJSMOGPDI-ALOPSCKCSA-N 1 3 374.916 2.995 20 0 FFADHO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213931240 1041082326 /nfs/dbraw/zinc/08/23/26/1041082326.db2.gz GRDLLZRFQFMHPU-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213931240 1041082336 /nfs/dbraw/zinc/08/23/36/1041082336.db2.gz GRDLLZRFQFMHPU-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CCN(C4COC4)CC2)C3)cc1 ZINC001255136046 1041164940 /nfs/dbraw/zinc/16/49/40/1041164940.db2.gz LSZIVQKUVSVCER-DKUWSORSSA-N 1 3 369.553 2.882 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)C1 ZINC001255340020 1041276609 /nfs/dbraw/zinc/27/66/09/1041276609.db2.gz XAYCICIITQJSEB-GHTZIAJQSA-N 1 3 373.541 2.646 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001214997990 1041638721 /nfs/dbraw/zinc/63/87/21/1041638721.db2.gz PMVXXJSBJLGNKW-BZUAXINKSA-N 1 3 359.505 2.979 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001214999876 1041639819 /nfs/dbraw/zinc/63/98/19/1041639819.db2.gz QUHRCYFTHUGOEW-JTDSTZFVSA-N 1 3 361.530 2.923 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001214998390 1041639968 /nfs/dbraw/zinc/63/99/68/1041639968.db2.gz WJHCCEAQXRJUPM-BZUAXINKSA-N 1 3 359.505 2.979 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]2C)s1 ZINC001215233048 1041708912 /nfs/dbraw/zinc/70/89/12/1041708912.db2.gz WHRXEJZXULVNIT-RHSMWYFYSA-N 1 3 364.559 2.653 20 0 FFADHO CCc1onc(C)c1CN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215516416 1041811075 /nfs/dbraw/zinc/81/10/75/1041811075.db2.gz HDHHPOMMVVOFIS-ZTFGCOKTSA-N 1 3 364.534 2.602 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001215536125 1041818326 /nfs/dbraw/zinc/81/83/26/1041818326.db2.gz JIAVDERODZDMBL-SFHLNBCPSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001215680656 1041858679 /nfs/dbraw/zinc/85/86/79/1041858679.db2.gz HRFKURNQZYAZBE-HEFFKOALSA-N 1 3 358.873 2.756 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001215973075 1041920529 /nfs/dbraw/zinc/92/05/29/1041920529.db2.gz PFBPXDDJRRAJGT-VQIMIIECSA-N 1 3 364.509 2.669 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001216844934 1042142576 /nfs/dbraw/zinc/14/25/76/1042142576.db2.gz PDRIBMWIUVMHCJ-BHIYHBOVSA-N 1 3 363.571 2.992 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC001216852390 1042144779 /nfs/dbraw/zinc/14/47/79/1042144779.db2.gz XQTVMFSLXWFMMC-RHSMWYFYSA-N 1 3 371.447 2.982 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(CC[NH3+])cc1 ZINC000382715104 1042440778 /nfs/dbraw/zinc/44/07/78/1042440778.db2.gz BMTWBWSXWCFWQB-GOSISDBHSA-N 1 3 351.494 2.924 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001263919562 1042531873 /nfs/dbraw/zinc/53/18/73/1042531873.db2.gz WTECWKXMQREPBC-PKOBYXMFSA-N 1 3 360.546 2.742 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)[C@@H]1C)N1CCCCC1 ZINC001264733609 1042815167 /nfs/dbraw/zinc/81/51/67/1042815167.db2.gz JBNWNPSNOQCXHH-HOJAQTOUSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)[C@@H]1C)N1CCCCC1 ZINC001264733609 1042815171 /nfs/dbraw/zinc/81/51/71/1042815171.db2.gz JBNWNPSNOQCXHH-HOJAQTOUSA-N 1 3 365.562 2.503 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cc(Br)cs3)[C@@H]2C1 ZINC001279166296 1042927387 /nfs/dbraw/zinc/92/73/87/1042927387.db2.gz NMTAJSLNAUYWCG-SWLSCSKDSA-N 1 3 358.349 2.578 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cc(Br)cs3)[C@@H]2C1 ZINC001279166296 1042927390 /nfs/dbraw/zinc/92/73/90/1042927390.db2.gz NMTAJSLNAUYWCG-SWLSCSKDSA-N 1 3 358.349 2.578 20 0 FFADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)c2ccccc12 ZINC001279229749 1042956260 /nfs/dbraw/zinc/95/62/60/1042956260.db2.gz AZSLIELMFZUHME-YQQQUEKLSA-N 1 3 357.498 2.884 20 0 FFADHO Cc1cc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)ccc1Br ZINC001279393617 1043049297 /nfs/dbraw/zinc/04/92/97/1043049297.db2.gz YOKRKLNSCFJKCK-FUHWJXTLSA-N 1 3 366.347 2.825 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CC1(c3ccccc3)CC1)CC2 ZINC001279465925 1043147638 /nfs/dbraw/zinc/14/76/38/1043147638.db2.gz JUNQSJFHTUYGGB-UHFFFAOYSA-N 1 3 355.526 2.594 20 0 FFADHO Cc1ccc([C@@H](C)CC[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)o1 ZINC001279489180 1043174741 /nfs/dbraw/zinc/17/47/41/1043174741.db2.gz LPTDFHZUQHKLKD-YTQUADARSA-N 1 3 361.530 2.814 20 0 FFADHO Cc1ccc([C@@H](C)CC[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)o1 ZINC001279489180 1043174746 /nfs/dbraw/zinc/17/47/46/1043174746.db2.gz LPTDFHZUQHKLKD-YTQUADARSA-N 1 3 361.530 2.814 20 0 FFADHO Cc1c2ccccc2sc1CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001279569887 1043270951 /nfs/dbraw/zinc/27/09/51/1043270951.db2.gz OEULBTVASNVQLA-CALCHBBNSA-N 1 3 359.539 2.656 20 0 FFADHO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3)C2)s1 ZINC001279579753 1043287396 /nfs/dbraw/zinc/28/73/96/1043287396.db2.gz MHVIYHHBDDRQMZ-FQEVSTJZSA-N 1 3 373.570 2.999 20 0 FFADHO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3)C2)s1 ZINC001279579753 1043287398 /nfs/dbraw/zinc/28/73/98/1043287398.db2.gz MHVIYHHBDDRQMZ-FQEVSTJZSA-N 1 3 373.570 2.999 20 0 FFADHO Cc1ncsc1C[NH2+][C@@]12CC[C@@](NCc3cnccc3N)(C1)CCC2 ZINC001279617578 1043347823 /nfs/dbraw/zinc/34/78/23/1043347823.db2.gz ZVZPYSKPVIVATA-MOPGFXCFSA-N 1 3 357.527 2.984 20 0 FFADHO c1n[nH]cc1C[N@H+]1CCC2(C1)CCN(Cc1c[nH]c3ncccc13)CC2 ZINC001279665640 1043430094 /nfs/dbraw/zinc/43/00/94/1043430094.db2.gz RCGBPVORHOMJFJ-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO c1n[nH]cc1C[N@@H+]1CCC2(C1)CCN(Cc1c[nH]c3ncccc13)CC2 ZINC001279665640 1043430099 /nfs/dbraw/zinc/43/00/99/1043430099.db2.gz RCGBPVORHOMJFJ-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO CCOC(=O)c1cc(CN2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)[nH]n1 ZINC001279669992 1043437890 /nfs/dbraw/zinc/43/78/90/1043437890.db2.gz ASBQSASQNLBXSW-IYBDPMFKSA-N 1 3 360.502 2.673 20 0 FFADHO CCOC(=O)c1cc(CN2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)[nH]n1 ZINC001279669992 1043437899 /nfs/dbraw/zinc/43/78/99/1043437899.db2.gz ASBQSASQNLBXSW-IYBDPMFKSA-N 1 3 360.502 2.673 20 0 FFADHO Cc1n[nH]c(C)c1CN1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001279674039 1043445474 /nfs/dbraw/zinc/44/54/74/1043445474.db2.gz CBUBPEJSYMUWGB-UHFFFAOYSA-N 1 3 355.486 2.615 20 0 FFADHO Cc1n[nH]c(C)c1CN1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001279674039 1043445478 /nfs/dbraw/zinc/44/54/78/1043445478.db2.gz CBUBPEJSYMUWGB-UHFFFAOYSA-N 1 3 355.486 2.615 20 0 FFADHO O=C([C@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2)N1CCCCO1 ZINC001279844252 1043761118 /nfs/dbraw/zinc/76/11/18/1043761118.db2.gz NJLAWJHJLGAMBS-CTNGQTDRSA-N 1 3 363.546 2.909 20 0 FFADHO O=C([C@@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2)N1CCCCO1 ZINC001279844254 1043761202 /nfs/dbraw/zinc/76/12/02/1043761202.db2.gz NJLAWJHJLGAMBS-PZJWPPBQSA-N 1 3 363.546 2.909 20 0 FFADHO COc1cc(F)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1Cl ZINC001238797363 1043901089 /nfs/dbraw/zinc/90/10/89/1043901089.db2.gz HIYPRJJQZZEPTA-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CCN(Cc1ccc(C)o1)CC2 ZINC001279937244 1043950905 /nfs/dbraw/zinc/95/09/05/1043950905.db2.gz VYZIEPUDMAUTHW-LJQANCHMSA-N 1 3 361.530 2.990 20 0 FFADHO Cc1ccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1Cl ZINC001239362402 1044103857 /nfs/dbraw/zinc/10/38/57/1044103857.db2.gz KAWZHGJGMPDUSI-CQSZACIVSA-N 1 3 352.935 2.809 20 0 FFADHO NCCC[NH2+]CCCNC(=S)NC(c1ccccc1)c1ccccc1 ZINC001239396813 1044111496 /nfs/dbraw/zinc/11/14/96/1044111496.db2.gz PDAUBASVTVQITJ-UHFFFAOYSA-N 1 3 356.539 2.569 20 0 FFADHO Cc1ccc(CNC23CC(C(=O)N4CCC([NH+](C)C)CC4)(C2)C3)c(F)c1 ZINC001280088865 1044190711 /nfs/dbraw/zinc/19/07/11/1044190711.db2.gz UQQCRYPETUVBQQ-UHFFFAOYSA-N 1 3 359.489 2.699 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CCC[N@@H+]2CC)C[C@H]1C ZINC001313870234 1044434935 /nfs/dbraw/zinc/43/49/35/1044434935.db2.gz ZDWAQZIJKQJLRF-ZIFCJYIRSA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CCC[N@H+]2CC)C[C@H]1C ZINC001313870234 1044434940 /nfs/dbraw/zinc/43/49/40/1044434940.db2.gz ZDWAQZIJKQJLRF-ZIFCJYIRSA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001313872299 1044435108 /nfs/dbraw/zinc/43/51/08/1044435108.db2.gz WDMNSEFNIRVBBU-ZACQAIPSSA-N 1 3 364.582 2.736 20 0 FFADHO O=c1cccc(CN[C@@]23CC[C@@]([NH2+]CCN4CCCCC4)(C2)CCC3)[nH]1 ZINC001280262741 1044496296 /nfs/dbraw/zinc/49/62/96/1044496296.db2.gz QGMZXXVYHGKSQB-RTWAWAEBSA-N 1 3 358.530 2.798 20 0 FFADHO CCC[C@H](C)CN1CCC([NH+]2CCC(C(=O)N(C)CCOC)CC2)CC1 ZINC001280262750 1044496688 /nfs/dbraw/zinc/49/66/88/1044496688.db2.gz QKSYHZJJNLPQIN-SFHVURJKSA-N 1 3 367.578 2.704 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC001318703488 1044822169 /nfs/dbraw/zinc/82/21/69/1044822169.db2.gz YQOHHDCBEGJYLQ-PMACEKPBSA-N 1 3 358.530 2.607 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001318716180 1044832338 /nfs/dbraw/zinc/83/23/38/1044832338.db2.gz BAFYKAYMSJQMHC-PMACEKPBSA-N 1 3 372.557 2.995 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001319008494 1044980235 /nfs/dbraw/zinc/98/02/35/1044980235.db2.gz FGBVFXRAGYQIIN-DLBZAZTESA-N 1 3 352.548 2.694 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cc3ccccc3o2)C2CC2)CC[N@@H+]1C ZINC001317012465 1045049487 /nfs/dbraw/zinc/04/94/87/1045049487.db2.gz ITUBOTQMHAGTEQ-NIKGAXFTSA-N 1 3 355.482 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cc3ccccc3o2)C2CC2)CC[N@H+]1C ZINC001317012465 1045049499 /nfs/dbraw/zinc/04/94/99/1045049499.db2.gz ITUBOTQMHAGTEQ-NIKGAXFTSA-N 1 3 355.482 2.757 20 0 FFADHO COc1cccc([C@H](C)N(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001317553370 1045110161 /nfs/dbraw/zinc/11/01/61/1045110161.db2.gz VNBZUUYXYXXXJF-RZQQEMMASA-N 1 3 359.514 2.677 20 0 FFADHO COc1cccc([C@H](C)N(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c1 ZINC001317553370 1045110172 /nfs/dbraw/zinc/11/01/72/1045110172.db2.gz VNBZUUYXYXXXJF-RZQQEMMASA-N 1 3 359.514 2.677 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001318502005 1045316005 /nfs/dbraw/zinc/31/60/05/1045316005.db2.gz FIJRYAMGXJGEON-GSEOLPGOSA-N 1 3 358.530 2.994 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)c2)CC1 ZINC001320350322 1045395092 /nfs/dbraw/zinc/39/50/92/1045395092.db2.gz VQRSOBMZHMUEFU-VQTJNVASSA-N 1 3 373.545 2.823 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCOc2ccc(C)cc2)CC[N@@H+]1C ZINC001322161478 1045974503 /nfs/dbraw/zinc/97/45/03/1045974503.db2.gz UVZHPUPHQBQDRC-YZGWKJHDSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCOc2ccc(C)cc2)CC[N@H+]1C ZINC001322161478 1045974513 /nfs/dbraw/zinc/97/45/13/1045974513.db2.gz UVZHPUPHQBQDRC-YZGWKJHDSA-N 1 3 361.530 2.541 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325312334 1046463091 /nfs/dbraw/zinc/46/30/91/1046463091.db2.gz XEGLTQYATZINCH-HXUWFJFHSA-N 1 3 370.541 2.826 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)N(C)C)cc1 ZINC001325314815 1046464195 /nfs/dbraw/zinc/46/41/95/1046464195.db2.gz YDTBSGWURGMRNC-LJQANCHMSA-N 1 3 358.530 2.773 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cnc(C)s2)C(C)(C)C)CC[N@@H+]1C ZINC001284590356 1046583467 /nfs/dbraw/zinc/58/34/67/1046583467.db2.gz OHWRBGNNYMRPDB-GVDBMIGSSA-N 1 3 366.575 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cnc(C)s2)C(C)(C)C)CC[N@H+]1C ZINC001284590356 1046583481 /nfs/dbraw/zinc/58/34/81/1046583481.db2.gz OHWRBGNNYMRPDB-GVDBMIGSSA-N 1 3 366.575 2.802 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H](O)c3ccc(Cl)cc3)c2)CC1 ZINC001325870143 1046669401 /nfs/dbraw/zinc/66/94/01/1046669401.db2.gz CHRGEWOIAWUJQA-NRFANRHFSA-N 1 3 373.928 2.911 20 0 FFADHO CN1CCN(Cc2cccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)c2)CC1 ZINC001326039627 1046739568 /nfs/dbraw/zinc/73/95/68/1046739568.db2.gz SINJFHHCNCVZGZ-FCHUYYIVSA-N 1 3 350.510 2.668 20 0 FFADHO C[C@H](OCCCNC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001326277896 1046842470 /nfs/dbraw/zinc/84/24/70/1046842470.db2.gz PBITZGSYDWYGSD-IBGZPJMESA-N 1 3 373.541 2.736 20 0 FFADHO CN1CCN(Cc2cccc(CNC(=[NH2+])Nc3cc(F)ccc3F)c2)CC1 ZINC001326948803 1047143354 /nfs/dbraw/zinc/14/33/54/1047143354.db2.gz MYIXDERKJOUZIX-UHFFFAOYSA-N 1 3 373.451 2.849 20 0 FFADHO C[C@@H](NCC[Si](C)(C)CC[NH2+][C@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC001328864065 1048493889 /nfs/dbraw/zinc/49/38/89/1048493889.db2.gz FJHBOFPAYOJXCJ-HZPDHXFCSA-N 1 3 362.598 2.863 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(C(F)F)c1 ZINC001330097037 1049038219 /nfs/dbraw/zinc/03/82/19/1049038219.db2.gz KZDWNTSKAFBLOV-AWEZNQCLSA-N 1 3 356.461 2.695 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(C(F)F)c1 ZINC001330097037 1049038231 /nfs/dbraw/zinc/03/82/31/1049038231.db2.gz KZDWNTSKAFBLOV-AWEZNQCLSA-N 1 3 356.461 2.695 20 0 FFADHO CC[NH+](CC)[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001295362495 1049918946 /nfs/dbraw/zinc/91/89/46/1049918946.db2.gz PJMUSUNYYZLCKU-KRWDZBQOSA-N 1 3 362.566 2.664 20 0 FFADHO [NH3+][C@@H]1CCOC2(CC(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC001341663066 1050286536 /nfs/dbraw/zinc/28/65/36/1050286536.db2.gz PCIDVNIZGSHSOL-FGNUKQJGSA-N 1 3 371.525 2.616 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001341716568 1050336854 /nfs/dbraw/zinc/33/68/54/1050336854.db2.gz IFJUFJOUGRMFAO-GOEBONIOSA-N 1 3 369.431 2.698 20 0 FFADHO C[C@H]([NH3+])C1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CCOCC1 ZINC001340056616 1050466183 /nfs/dbraw/zinc/46/61/83/1050466183.db2.gz MUDNXPIFQIVCIQ-ICSRJNTNSA-N 1 3 373.541 2.720 20 0 FFADHO CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001340232030 1050638953 /nfs/dbraw/zinc/63/89/53/1050638953.db2.gz DAJSSNBVYKNQLC-ZYSHUDEJSA-N 1 3 374.529 2.555 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc3c2OCCNC3)CC1 ZINC001342273827 1050864026 /nfs/dbraw/zinc/86/40/26/1050864026.db2.gz XWFKGXGHCFYGGW-UHFFFAOYSA-N 1 3 357.498 2.649 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001342413862 1051008937 /nfs/dbraw/zinc/00/89/37/1051008937.db2.gz DXEWCIWDKIXSKM-OKILXGFUSA-N 1 3 355.486 2.841 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341071542 1051413932 /nfs/dbraw/zinc/41/39/32/1051413932.db2.gz BPBHCWWLDSYYGW-UONOGXRCSA-N 1 3 369.387 2.846 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]4CC[C@]43C[NH3+])cc2)CC1 ZINC001341448322 1051804008 /nfs/dbraw/zinc/80/40/08/1051804008.db2.gz OAGYLCJGWFYHMS-UGKGYDQZSA-N 1 3 370.541 2.561 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CCCCOC ZINC001316738474 1051944350 /nfs/dbraw/zinc/94/43/50/1051944350.db2.gz ICJTVJUTPIPNRQ-SQGPQFPESA-N 1 3 371.541 2.595 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CCCCOC ZINC001316738474 1051944359 /nfs/dbraw/zinc/94/43/59/1051944359.db2.gz ICJTVJUTPIPNRQ-SQGPQFPESA-N 1 3 371.541 2.595 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306181025 1052056352 /nfs/dbraw/zinc/05/63/52/1052056352.db2.gz VNSILYSFAIALMZ-TZIWHRDSSA-N 1 3 364.493 2.861 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc3c2OCCNC3)C1 ZINC001343376753 1052193479 /nfs/dbraw/zinc/19/34/79/1052193479.db2.gz MHIAEDPSWUGOEN-CALCHBBNSA-N 1 3 359.514 2.657 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc3c2OCCNC3)C1 ZINC001343376753 1052193482 /nfs/dbraw/zinc/19/34/82/1052193482.db2.gz MHIAEDPSWUGOEN-CALCHBBNSA-N 1 3 359.514 2.657 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc3n(n2)CCC[C@H]3N)CC1 ZINC001343892267 1052474131 /nfs/dbraw/zinc/47/41/31/1052474131.db2.gz NBJZBPOZFPDIRP-SJLPKXTDSA-N 1 3 373.545 2.793 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3n(n2)CCC[C@H]3N)CC1 ZINC001343892267 1052474133 /nfs/dbraw/zinc/47/41/33/1052474133.db2.gz NBJZBPOZFPDIRP-SJLPKXTDSA-N 1 3 373.545 2.793 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001337135208 1054506664 /nfs/dbraw/zinc/50/66/64/1054506664.db2.gz DAUPGGFJXRTSAH-IBGZPJMESA-N 1 3 373.545 2.671 20 0 FFADHO CC(C)c1ccc(CCNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001349390272 1055223429 /nfs/dbraw/zinc/22/34/29/1055223429.db2.gz STJKVEMXUBVRRS-UHFFFAOYSA-N 1 3 357.542 2.934 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC001338542868 1055608494 /nfs/dbraw/zinc/60/84/94/1055608494.db2.gz KGLWHOVJPPXDFB-UHFFFAOYSA-N 1 3 360.546 2.534 20 0 FFADHO C[C@@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000849087561 1055635140 /nfs/dbraw/zinc/63/51/40/1055635140.db2.gz AVQUKPJRIZFXIC-UNMCSNQZSA-N 1 3 370.541 2.970 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001358069389 1056127194 /nfs/dbraw/zinc/12/71/94/1056127194.db2.gz SPKCRHBPGZZBOJ-JFIYKMOQSA-N 1 3 357.498 2.621 20 0 FFADHO S=C(NCCN1CCCCC1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001200421405 1056651685 /nfs/dbraw/zinc/65/16/85/1056651685.db2.gz BXVQATPAJMYHSS-UHFFFAOYSA-N 1 3 364.603 2.687 20 0 FFADHO S=C(NCCN1CCCCC1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001200421405 1056651692 /nfs/dbraw/zinc/65/16/92/1056651692.db2.gz BXVQATPAJMYHSS-UHFFFAOYSA-N 1 3 364.603 2.687 20 0 FFADHO S=C(NCCN1CCCCC1)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001200428747 1056668079 /nfs/dbraw/zinc/66/80/79/1056668079.db2.gz QZRLEDAYNSZFPS-PMACEKPBSA-N 1 3 372.582 2.553 20 0 FFADHO S=C(NCCN1CCCCC1)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001200428747 1056668087 /nfs/dbraw/zinc/66/80/87/1056668087.db2.gz QZRLEDAYNSZFPS-PMACEKPBSA-N 1 3 372.582 2.553 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NCCN1CCCCC1 ZINC001200430528 1056671021 /nfs/dbraw/zinc/67/10/21/1056671021.db2.gz NUYDCFIBWWOOEQ-HXUWFJFHSA-N 1 3 374.598 2.801 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NCCN1CCCCC1 ZINC001200430528 1056671029 /nfs/dbraw/zinc/67/10/29/1056671029.db2.gz NUYDCFIBWWOOEQ-HXUWFJFHSA-N 1 3 374.598 2.801 20 0 FFADHO [NH2+]=C(NC[C@@H](CO)C1CCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849113598 1056767127 /nfs/dbraw/zinc/76/71/27/1056767127.db2.gz WGGDPTXKGPOJPH-FQEVSTJZSA-N 1 3 372.557 2.954 20 0 FFADHO [NH2+]=C(NCCOCC1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849116768 1056769992 /nfs/dbraw/zinc/76/99/92/1056769992.db2.gz WOAQOTVXXRWITN-UHFFFAOYSA-N 1 3 358.530 2.972 20 0 FFADHO C[C@@H]1C[C@H](NC(=S)NCCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001200439768 1058181807 /nfs/dbraw/zinc/18/18/07/1058181807.db2.gz WJPBZTDBTDWTQY-UYAOXDASSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@@H]1C[C@H](NC(=S)NCCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001200439768 1058181814 /nfs/dbraw/zinc/18/18/14/1058181814.db2.gz WJPBZTDBTDWTQY-UYAOXDASSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C34CCCN3CCC4)cc2)C1 ZINC001445041086 1058361468 /nfs/dbraw/zinc/36/14/68/1058361468.db2.gz AWYOUWYXRSRFQX-KRWDZBQOSA-N 1 3 357.498 2.974 20 0 FFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C34CCCN3CCC4)cc2)C1 ZINC001445041086 1058361476 /nfs/dbraw/zinc/36/14/76/1058361476.db2.gz AWYOUWYXRSRFQX-KRWDZBQOSA-N 1 3 357.498 2.974 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001502255205 1058796935 /nfs/dbraw/zinc/79/69/35/1058796935.db2.gz ICRSZALCAMOQHZ-ROUUACIJSA-N 1 3 374.577 2.950 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)c1 ZINC001300596107 1058936477 /nfs/dbraw/zinc/93/64/77/1058936477.db2.gz IHNWDHVWJDOHTG-ICSRJNTNSA-N 1 3 373.541 2.896 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001507079338 1059597393 /nfs/dbraw/zinc/59/73/93/1059597393.db2.gz KEVQVJLSHVXRME-YTQUADARSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2cc(C)ccc2OC)CC[N@H+]1C ZINC001507079338 1059597408 /nfs/dbraw/zinc/59/74/08/1059597408.db2.gz KEVQVJLSHVXRME-YTQUADARSA-N 1 3 361.530 2.670 20 0 FFADHO CC(C)CN1CCN(c2nnc(C(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001509402985 1060079428 /nfs/dbraw/zinc/07/94/28/1060079428.db2.gz CBAFNIMPJAIMHW-UHFFFAOYSA-N 1 3 362.566 2.665 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC001457606136 1060411578 /nfs/dbraw/zinc/41/15/78/1060411578.db2.gz KQUPWNFVBWNAHD-HXUWFJFHSA-N 1 3 361.530 2.973 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1ccco1 ZINC001457812314 1060450628 /nfs/dbraw/zinc/45/06/28/1060450628.db2.gz IUXUVQSQVBRGLA-LZLYRXPVSA-N 1 3 356.470 2.747 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)OCC[NH2+]C3)CN1Cc1ccccc1 ZINC001521496013 1060620173 /nfs/dbraw/zinc/62/01/73/1060620173.db2.gz ODVBJRVTQBFLKG-OXQOHEQNSA-N 1 3 365.477 2.561 20 0 FFADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001512860872 1060731238 /nfs/dbraw/zinc/73/12/38/1060731238.db2.gz KCBRTRONLRZSDO-OKZBNKHCSA-N 1 3 362.566 2.806 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001477302503 1061663960 /nfs/dbraw/zinc/66/39/60/1061663960.db2.gz SRBSOUNKZXJCNL-KRWDZBQOSA-N 1 3 367.497 2.921 20 0 FFADHO CC(C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN1CC=CCC1 ZINC001359712204 1061688391 /nfs/dbraw/zinc/68/83/91/1061688391.db2.gz JZIGLKQDZOMAJC-UHFFFAOYSA-N 1 3 360.550 2.584 20 0 FFADHO CC(C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN1CC=CCC1 ZINC001359712204 1061688401 /nfs/dbraw/zinc/68/84/01/1061688401.db2.gz JZIGLKQDZOMAJC-UHFFFAOYSA-N 1 3 360.550 2.584 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001477627405 1061759717 /nfs/dbraw/zinc/75/97/17/1061759717.db2.gz WNKCSSMQEYEWOL-IBGZPJMESA-N 1 3 358.530 2.607 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001477627405 1061759737 /nfs/dbraw/zinc/75/97/37/1061759737.db2.gz WNKCSSMQEYEWOL-IBGZPJMESA-N 1 3 358.530 2.607 20 0 FFADHO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@H]2C1 ZINC001479135360 1062241039 /nfs/dbraw/zinc/24/10/39/1062241039.db2.gz BVEYCPRNCGEXMO-JSXRDJHFSA-N 1 3 370.541 2.681 20 0 FFADHO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@H]2C1 ZINC001479135360 1062241051 /nfs/dbraw/zinc/24/10/51/1062241051.db2.gz BVEYCPRNCGEXMO-JSXRDJHFSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC001479572362 1062563573 /nfs/dbraw/zinc/56/35/73/1062563573.db2.gz NFKAWJKWAIQMGE-CEXWTWQISA-N 1 3 367.578 2.750 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)cccc3C)CC[C@@H]2C1 ZINC001479672421 1062785776 /nfs/dbraw/zinc/78/57/76/1062785776.db2.gz IWHQMOGRMUHVNL-UXHICEINSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3c(C)cccc3C)CC[C@@H]2C1 ZINC001479672421 1062785796 /nfs/dbraw/zinc/78/57/96/1062785796.db2.gz IWHQMOGRMUHVNL-UXHICEINSA-N 1 3 357.542 2.926 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001465088981 1062971744 /nfs/dbraw/zinc/97/17/44/1062971744.db2.gz QLSPVXFZWPHQCU-ROUUACIJSA-N 1 3 365.587 2.871 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001465088981 1062971768 /nfs/dbraw/zinc/97/17/68/1062971768.db2.gz QLSPVXFZWPHQCU-ROUUACIJSA-N 1 3 365.587 2.871 20 0 FFADHO CC(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001525039465 1063113448 /nfs/dbraw/zinc/11/34/48/1063113448.db2.gz VXVUIXBJCZEBMZ-GOSISDBHSA-N 1 3 362.566 2.520 20 0 FFADHO CCCCCC[C@H](O)CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001442665150 1063554389 /nfs/dbraw/zinc/55/43/89/1063554389.db2.gz QFSZJXLHIOHVKH-FQEVSTJZSA-N 1 3 367.578 2.773 20 0 FFADHO CC[C@H](C)[N@H+](C)CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001496161375 1063594210 /nfs/dbraw/zinc/59/42/10/1063594210.db2.gz ZUTBDLXKDYEDEQ-BBWFWOEESA-N 1 3 362.566 2.805 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001496161375 1063594223 /nfs/dbraw/zinc/59/42/23/1063594223.db2.gz ZUTBDLXKDYEDEQ-BBWFWOEESA-N 1 3 362.566 2.805 20 0 FFADHO CCN(CCNCc1ccccc1OC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497384332 1063699602 /nfs/dbraw/zinc/69/96/02/1063699602.db2.gz UUSWCYAFCVJUAN-IEBWSBKVSA-N 1 3 361.530 2.752 20 0 FFADHO CCN(CCNCc1ccccc1OC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497384332 1063699613 /nfs/dbraw/zinc/69/96/13/1063699613.db2.gz UUSWCYAFCVJUAN-IEBWSBKVSA-N 1 3 361.530 2.752 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001468023905 1063912404 /nfs/dbraw/zinc/91/24/04/1063912404.db2.gz NWRDDQMQABONJA-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001468023905 1063912416 /nfs/dbraw/zinc/91/24/16/1063912416.db2.gz NWRDDQMQABONJA-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC001470653923 1064400784 /nfs/dbraw/zinc/40/07/84/1064400784.db2.gz OUYBAMCRDVXUBV-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001470653923 1064400786 /nfs/dbraw/zinc/40/07/86/1064400786.db2.gz OUYBAMCRDVXUBV-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001575423276 1078139496 /nfs/dbraw/zinc/13/94/96/1078139496.db2.gz RFFKAVMRTBSWFB-PZJWPPBQSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)C[NH2+]CC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC001575606286 1078156709 /nfs/dbraw/zinc/15/67/09/1078156709.db2.gz QVPQBXSTJHMTFH-SFHVURJKSA-N 1 3 355.486 2.514 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CCN1Cc1ccccc1 ZINC001576723610 1078266146 /nfs/dbraw/zinc/26/61/46/1078266146.db2.gz JZFVUNKKIAICLS-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CN(CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@H](C)C[NH2+]1 ZINC001576802533 1078276382 /nfs/dbraw/zinc/27/63/82/1078276382.db2.gz YIDHLXBCIGRKAB-IAGOWNOFSA-N 1 3 350.938 2.534 20 0 FFADHO CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@@H](C)[NH3+])cc1 ZINC001578250475 1078455525 /nfs/dbraw/zinc/45/55/25/1078455525.db2.gz UXSVXFOPFYFGPR-IXDOHACOSA-N 1 3 370.545 2.774 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC001578739962 1078525558 /nfs/dbraw/zinc/52/55/58/1078525558.db2.gz SGKJGTYJAYYXAQ-HXUWFJFHSA-N 1 3 355.482 2.770 20 0 FFADHO COC(=O)c1oc([C@H](C)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC001578887492 1078540281 /nfs/dbraw/zinc/54/02/81/1078540281.db2.gz BCJRRGAXEVBUPI-LXZKKBNFSA-N 1 3 350.459 2.654 20 0 FFADHO COc1ccccc1[C@H](N)CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC001579303375 1078614319 /nfs/dbraw/zinc/61/43/19/1078614319.db2.gz VDKFABQELDURCM-QGZVFWFLSA-N 1 3 356.470 2.621 20 0 FFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 ZINC001549036005 1073603497 /nfs/dbraw/zinc/60/34/97/1073603497.db2.gz OOKQKAGRYOSLNJ-DYESRHJHSA-N 1 3 370.541 2.986 20 0 FFADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC001549133910 1073661728 /nfs/dbraw/zinc/66/17/28/1073661728.db2.gz MSXHVEMIXVBTQN-OPYAIIAOSA-N 1 3 359.489 2.625 20 0 FFADHO COc1ncc([C@H](C)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)cc1Cl ZINC001550354614 1074225765 /nfs/dbraw/zinc/22/57/65/1074225765.db2.gz VICUMEAXBGRDDQ-FFKUFXGXSA-N 1 3 367.921 2.874 20 0 FFADHO COc1ncc([C@H](C)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)cc1Cl ZINC001550354614 1074225771 /nfs/dbraw/zinc/22/57/71/1074225771.db2.gz VICUMEAXBGRDDQ-FFKUFXGXSA-N 1 3 367.921 2.874 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)[C@@H](O)C2 ZINC001550421963 1074260069 /nfs/dbraw/zinc/26/00/69/1074260069.db2.gz JRTQQLZPKNVORQ-OWSLCNJRSA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)[C@@H](O)C2 ZINC001550421963 1074260073 /nfs/dbraw/zinc/26/00/73/1074260073.db2.gz JRTQQLZPKNVORQ-OWSLCNJRSA-N 1 3 372.431 2.980 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@H]1C(C)C ZINC001550423116 1074260843 /nfs/dbraw/zinc/26/08/43/1074260843.db2.gz HZXNDVCOXVXFFE-UGNRZPKXSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@H]1C(C)C ZINC001550423116 1074260849 /nfs/dbraw/zinc/26/08/49/1074260849.db2.gz HZXNDVCOXVXFFE-UGNRZPKXSA-N 1 3 360.546 2.734 20 0 FFADHO O=C1CC[C@@H](NCc2c(Cl)ccc3cccnc32)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914545 1074529369 /nfs/dbraw/zinc/52/93/69/1074529369.db2.gz VSHKMQTXFHBWEX-YLJYHZDGSA-N 1 3 372.900 2.625 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc2c1CNC2 ZINC001552430834 1075074666 /nfs/dbraw/zinc/07/46/66/1075074666.db2.gz WLWBKWZPXHKCTI-SJLPKXTDSA-N 1 3 353.441 2.552 20 0 FFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001552963555 1075179817 /nfs/dbraw/zinc/17/98/17/1075179817.db2.gz AUSIGYBDOOSPEI-DBXWQHBBSA-N 1 3 369.513 2.976 20 0 FFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001552963555 1075179819 /nfs/dbraw/zinc/17/98/19/1075179819.db2.gz AUSIGYBDOOSPEI-DBXWQHBBSA-N 1 3 369.513 2.976 20 0 FFADHO CN(C)C1(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)CCCC1 ZINC001556161122 1075710766 /nfs/dbraw/zinc/71/07/66/1075710766.db2.gz CVRSZARFKIXDNX-UHFFFAOYSA-N 1 3 359.514 2.629 20 0 FFADHO CN(C)C1(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)CCCC1 ZINC001556161122 1075710769 /nfs/dbraw/zinc/71/07/69/1075710769.db2.gz CVRSZARFKIXDNX-UHFFFAOYSA-N 1 3 359.514 2.629 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001556200925 1075715640 /nfs/dbraw/zinc/71/56/40/1075715640.db2.gz IXBQPQZBKVVPPO-HBMCJLEFSA-N 1 3 373.541 2.514 20 0 FFADHO COCCCOc1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC001560395450 1076270207 /nfs/dbraw/zinc/27/02/07/1076270207.db2.gz OSLYMNFFXZHMBI-NHCUHLMSSA-N 1 3 362.514 2.569 20 0 FFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC001560396276 1076270659 /nfs/dbraw/zinc/27/06/59/1076270659.db2.gz UNSJZTVPNURZAA-RBUKOAKNSA-N 1 3 360.527 2.791 20 0 FFADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cc(-n3ccnc3)cs2)CC1 ZINC001560396276 1076270662 /nfs/dbraw/zinc/27/06/62/1076270662.db2.gz UNSJZTVPNURZAA-RBUKOAKNSA-N 1 3 360.527 2.791 20 0 FFADHO CC[C@H](COCC(F)(F)F)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001560848507 1076304116 /nfs/dbraw/zinc/30/41/16/1076304116.db2.gz JPQSFPUGCOTUHL-QQFBHYJXSA-N 1 3 352.441 2.967 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC001563410444 1076552589 /nfs/dbraw/zinc/55/25/89/1076552589.db2.gz UCIRRZSNIFNDCZ-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC001563410444 1076552593 /nfs/dbraw/zinc/55/25/93/1076552593.db2.gz UCIRRZSNIFNDCZ-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[N@H+](C)C(C)(C)CC1)N1CCc2ccccc2C1 ZINC001563461309 1076556893 /nfs/dbraw/zinc/55/68/93/1076556893.db2.gz GAVJBGSIQXCFND-FQEVSTJZSA-N 1 3 372.557 2.949 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)N1CCc2ccccc2C1 ZINC001563461309 1076556896 /nfs/dbraw/zinc/55/68/96/1076556896.db2.gz GAVJBGSIQXCFND-FQEVSTJZSA-N 1 3 372.557 2.949 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001563647597 1076573393 /nfs/dbraw/zinc/57/33/93/1076573393.db2.gz ABFZTMJJZPGOPW-UHFFFAOYSA-N 1 3 370.607 2.625 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001563647597 1076573397 /nfs/dbraw/zinc/57/33/97/1076573397.db2.gz ABFZTMJJZPGOPW-UHFFFAOYSA-N 1 3 370.607 2.625 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCc2ccccc21 ZINC001564851129 1076664333 /nfs/dbraw/zinc/66/43/33/1076664333.db2.gz HXMNYDDQTWCSEU-HKUYNNGSSA-N 1 3 360.546 2.678 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCc2ccccc21 ZINC001564851129 1076664337 /nfs/dbraw/zinc/66/43/37/1076664337.db2.gz HXMNYDDQTWCSEU-HKUYNNGSSA-N 1 3 360.546 2.678 20 0 FFADHO CCCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCN(C)C1 ZINC001565195495 1076695826 /nfs/dbraw/zinc/69/58/26/1076695826.db2.gz BHDSYSCHOHTYHC-NRSPTQNISA-N 1 3 372.557 2.880 20 0 FFADHO CCCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCN(C)C1 ZINC001565195495 1076695829 /nfs/dbraw/zinc/69/58/29/1076695829.db2.gz BHDSYSCHOHTYHC-NRSPTQNISA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[N@H+](C)C(C)(C)CC3)cc2)CC1 ZINC001586161147 1079562253 /nfs/dbraw/zinc/56/22/53/1079562253.db2.gz JZRDSICPTCOUAF-UHFFFAOYSA-N 1 3 372.557 2.773 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C(C)(C)CC3)cc2)CC1 ZINC001586161147 1079562259 /nfs/dbraw/zinc/56/22/59/1079562259.db2.gz JZRDSICPTCOUAF-UHFFFAOYSA-N 1 3 372.557 2.773 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000518935900 539458488 /nfs/dbraw/zinc/45/84/88/539458488.db2.gz FVLQEGSBTZCUPI-GOSISDBHSA-N 1 3 370.501 2.534 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CN(C4CC4)CCO2)C3)cc1 ZINC000377081085 512114852 /nfs/dbraw/zinc/11/48/52/512114852.db2.gz HPPHKLVDCNAPIY-PSWRPDDJSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CN(C4CC4)CCO2)C3)cc1 ZINC000377081085 512114855 /nfs/dbraw/zinc/11/48/55/512114855.db2.gz HPPHKLVDCNAPIY-PSWRPDDJSA-N 1 3 355.526 2.635 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[N@H+](C)C1CC1 ZINC000105209272 250203926 /nfs/dbraw/zinc/20/39/26/250203926.db2.gz QRKWQMVJDKEMSI-HZPDHXFCSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[N@@H+](C)C1CC1 ZINC000105209272 250203928 /nfs/dbraw/zinc/20/39/28/250203928.db2.gz QRKWQMVJDKEMSI-HZPDHXFCSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000131977593 251034760 /nfs/dbraw/zinc/03/47/60/251034760.db2.gz NTLWXQRZKOYRSD-ROUUACIJSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000131977593 251034761 /nfs/dbraw/zinc/03/47/61/251034761.db2.gz NTLWXQRZKOYRSD-ROUUACIJSA-N 1 3 373.545 2.638 20 0 FFADHO CCN1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272466331 252046617 /nfs/dbraw/zinc/04/66/17/252046617.db2.gz HVTYDVUAOUJLJH-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272466331 252046620 /nfs/dbraw/zinc/04/66/20/252046620.db2.gz HVTYDVUAOUJLJH-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272562399 252069086 /nfs/dbraw/zinc/06/90/86/252069086.db2.gz GWJMIXOFKNYPLY-QUCCMNQESA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000272804865 252137313 /nfs/dbraw/zinc/13/73/13/252137313.db2.gz DQWQAIOXDYDZBJ-UHFFFAOYSA-N 1 3 373.463 2.786 20 0 FFADHO COCCC[NH+]1CCC(N[C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000275859209 256054440 /nfs/dbraw/zinc/05/44/40/256054440.db2.gz MMYNTDGTZYLTSM-OAQYLSRUSA-N 1 3 371.529 2.808 20 0 FFADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000275696338 256039047 /nfs/dbraw/zinc/03/90/47/256039047.db2.gz LANOOWAXSXHREJ-UHFFFAOYSA-N 1 3 368.481 2.695 20 0 FFADHO C[C@H]1C[N@H+](CCCNC(=O)c2oc3ccccc3c2CN(C)C)CCCO1 ZINC000277413968 256195835 /nfs/dbraw/zinc/19/58/35/256195835.db2.gz FQRUJGXITXLXPK-INIZCTEOSA-N 1 3 373.497 2.725 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC(=O)c2oc3ccccc3c2CN(C)C)CCCO1 ZINC000277413968 256195836 /nfs/dbraw/zinc/19/58/36/256195836.db2.gz FQRUJGXITXLXPK-INIZCTEOSA-N 1 3 373.497 2.725 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000278478449 256316921 /nfs/dbraw/zinc/31/69/21/256316921.db2.gz KIOBCZXPCGRKOL-SJBKTWHCSA-N 1 3 359.558 2.988 20 0 FFADHO CN(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278677007 256337577 /nfs/dbraw/zinc/33/75/77/256337577.db2.gz LXRULRBFGKQJRT-OAQYLSRUSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000286035669 257017295 /nfs/dbraw/zinc/01/72/95/257017295.db2.gz KOKKZRMCSWBRMZ-GDBMZVCRSA-N 1 3 357.420 2.723 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000286089010 257019860 /nfs/dbraw/zinc/01/98/60/257019860.db2.gz SSNUFJJBXVADPP-XPWALMASSA-N 1 3 371.569 2.907 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000286089010 257019861 /nfs/dbraw/zinc/01/98/61/257019861.db2.gz SSNUFJJBXVADPP-XPWALMASSA-N 1 3 371.569 2.907 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000286582664 257044055 /nfs/dbraw/zinc/04/40/55/257044055.db2.gz WREIHMPYVVKVJQ-IRLDBZIGSA-N 1 3 356.558 2.615 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000286582664 257044056 /nfs/dbraw/zinc/04/40/56/257044056.db2.gz WREIHMPYVVKVJQ-IRLDBZIGSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000287854998 257121433 /nfs/dbraw/zinc/12/14/33/257121433.db2.gz DYWXQCAWMGPCKE-CMKODMSKSA-N 1 3 358.530 2.805 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000287910678 257129157 /nfs/dbraw/zinc/12/91/57/257129157.db2.gz HWEFEONZBDMOSV-FQEVSTJZSA-N 1 3 374.529 2.638 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000287910678 257129159 /nfs/dbraw/zinc/12/91/59/257129159.db2.gz HWEFEONZBDMOSV-FQEVSTJZSA-N 1 3 374.529 2.638 20 0 FFADHO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000287933044 257131131 /nfs/dbraw/zinc/13/11/31/257131131.db2.gz GQEOSFGOLCFUIR-BJYDCXRDSA-N 1 3 358.530 2.944 20 0 FFADHO C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000287933044 257131132 /nfs/dbraw/zinc/13/11/32/257131132.db2.gz GQEOSFGOLCFUIR-BJYDCXRDSA-N 1 3 358.530 2.944 20 0 FFADHO OC1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000287476862 257091399 /nfs/dbraw/zinc/09/13/99/257091399.db2.gz MPWVBGMKAZTKDM-NJDAHSKKSA-N 1 3 358.526 2.808 20 0 FFADHO CC1CC[NH+](CCC[C@@H](NCCOCCO)c2ccc(F)cc2)CC1 ZINC000291224570 257392558 /nfs/dbraw/zinc/39/25/58/257392558.db2.gz NROVWFGFEHUUGB-HXUWFJFHSA-N 1 3 352.494 2.977 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000297494106 257837979 /nfs/dbraw/zinc/83/79/79/257837979.db2.gz MBWNTOJDOUOEQJ-HXUWFJFHSA-N 1 3 374.529 2.614 20 0 FFADHO O=C(CNC1CCN(c2cc[nH+]cc2)CC1)N1CCCc2ccccc21 ZINC000298582520 257925402 /nfs/dbraw/zinc/92/54/02/257925402.db2.gz XVNJVSXHUWBKMO-UHFFFAOYSA-N 1 3 350.466 2.619 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cnc21 ZINC000333198490 258255430 /nfs/dbraw/zinc/25/54/30/258255430.db2.gz WWUHTLUZJQYJAI-OALUTQOASA-N 1 3 357.502 2.731 20 0 FFADHO Brc1ccccc1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC000414777198 514287317 /nfs/dbraw/zinc/28/73/17/514287317.db2.gz GRCHQXPKQDPBRK-UHFFFAOYSA-N 1 3 352.320 2.755 20 0 FFADHO Brc1ccccc1CN1CCC(NC2CC[NH2+]CC2)CC1 ZINC000414777198 514287326 /nfs/dbraw/zinc/28/73/26/514287326.db2.gz GRCHQXPKQDPBRK-UHFFFAOYSA-N 1 3 352.320 2.755 20 0 FFADHO CN(C)CC[C@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(C)(C)C ZINC000377807050 512458456 /nfs/dbraw/zinc/45/84/56/512458456.db2.gz MYIXKUZKMFGXAW-MSOLQXFVSA-N 1 3 367.559 2.667 20 0 FFADHO CN(CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)Cc1ccccc1 ZINC000065542375 506320814 /nfs/dbraw/zinc/32/08/14/506320814.db2.gz HGNCGSTWHQQAIR-HXUWFJFHSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1COCCN1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000369189731 512275196 /nfs/dbraw/zinc/27/51/96/512275196.db2.gz SYOPOTCFELCGDO-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1COCCN1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000369189731 512275199 /nfs/dbraw/zinc/27/51/99/512275199.db2.gz SYOPOTCFELCGDO-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1COCCN1CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000369189731 512275201 /nfs/dbraw/zinc/27/52/01/512275201.db2.gz SYOPOTCFELCGDO-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1COCCN1CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000369189731 512275204 /nfs/dbraw/zinc/27/52/04/512275204.db2.gz SYOPOTCFELCGDO-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066175188 506434850 /nfs/dbraw/zinc/43/48/50/506434850.db2.gz CIUVFGZBFNLYBI-IAGOWNOFSA-N 1 3 362.543 2.765 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000066177926 506438515 /nfs/dbraw/zinc/43/85/15/506438515.db2.gz OBOIUSJKIBKGLH-GOSISDBHSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000066177926 506438518 /nfs/dbraw/zinc/43/85/18/506438518.db2.gz OBOIUSJKIBKGLH-GOSISDBHSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000042813903 506670801 /nfs/dbraw/zinc/67/08/01/506670801.db2.gz SXHGWXCGCXGWBC-ICSRJNTNSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000042813903 506670806 /nfs/dbraw/zinc/67/08/06/506670806.db2.gz SXHGWXCGCXGWBC-ICSRJNTNSA-N 1 3 358.530 2.997 20 0 FFADHO O=C(CN1CCC[C@H](c2ccccc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000066897731 506686339 /nfs/dbraw/zinc/68/63/39/506686339.db2.gz YTNUQSZKPZIKQC-IBGZPJMESA-N 1 3 355.526 2.999 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000067391740 506859701 /nfs/dbraw/zinc/85/97/01/506859701.db2.gz AMJLNCJUJCMQAF-WOJBJXKFSA-N 1 3 358.530 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000067391740 506859706 /nfs/dbraw/zinc/85/97/06/506859706.db2.gz AMJLNCJUJCMQAF-WOJBJXKFSA-N 1 3 358.530 2.907 20 0 FFADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000067452929 506887009 /nfs/dbraw/zinc/88/70/09/506887009.db2.gz FGRYXQZEEODMGC-HZPDHXFCSA-N 1 3 366.502 2.691 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000067685532 506976181 /nfs/dbraw/zinc/97/61/81/506976181.db2.gz FXXXXIZFPCNREZ-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000067685532 506976186 /nfs/dbraw/zinc/97/61/86/506976186.db2.gz FXXXXIZFPCNREZ-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000373417927 512320633 /nfs/dbraw/zinc/32/06/33/512320633.db2.gz OIFPHDALMOXSIC-UHFFFAOYSA-N 1 3 373.463 2.782 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](Nc3ncnc4sc5c(c43)CCC5)C2)CC1 ZINC000369268093 512320689 /nfs/dbraw/zinc/32/06/89/512320689.db2.gz RPZYISRINHPDEX-ZDUSSCGKSA-N 1 3 357.527 2.760 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057205892 507205605 /nfs/dbraw/zinc/20/56/05/507205605.db2.gz UYDICBMFHZPOEB-KRWDZBQOSA-N 1 3 360.546 2.768 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000047964862 507426205 /nfs/dbraw/zinc/42/62/05/507426205.db2.gz RSAWDRWZVALXFG-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000047964862 507426213 /nfs/dbraw/zinc/42/62/13/507426213.db2.gz RSAWDRWZVALXFG-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000377589610 512341970 /nfs/dbraw/zinc/34/19/70/512341970.db2.gz DAHGMVORZFZARV-ZWKOTPCHSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000377589610 512341973 /nfs/dbraw/zinc/34/19/73/512341973.db2.gz DAHGMVORZFZARV-ZWKOTPCHSA-N 1 3 359.489 2.638 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000027355351 507649553 /nfs/dbraw/zinc/64/95/53/507649553.db2.gz MNMCDOYFRQZCHQ-GOSISDBHSA-N 1 3 358.530 2.825 20 0 FFADHO CN(Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377618003 512355750 /nfs/dbraw/zinc/35/57/50/512355750.db2.gz BNNQVOWRKDMRCH-HXUWFJFHSA-N 1 3 353.514 2.677 20 0 FFADHO CN(Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377618003 512355757 /nfs/dbraw/zinc/35/57/57/512355757.db2.gz BNNQVOWRKDMRCH-HXUWFJFHSA-N 1 3 353.514 2.677 20 0 FFADHO CC1CCC(N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000051759394 507783656 /nfs/dbraw/zinc/78/36/56/507783656.db2.gz UOZNFGQMRKSQLE-UHFFFAOYSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1ccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051777836 507784663 /nfs/dbraw/zinc/78/46/63/507784663.db2.gz MJCOLJMORRSGRN-KRWDZBQOSA-N 1 3 358.530 2.914 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000373504921 512366062 /nfs/dbraw/zinc/36/60/62/512366062.db2.gz PDTHIRJZHQYEPI-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000373504921 512366067 /nfs/dbraw/zinc/36/60/67/512366067.db2.gz PDTHIRJZHQYEPI-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CC1CC[NH+](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000078559841 507883499 /nfs/dbraw/zinc/88/34/99/507883499.db2.gz JLSZVSZSPSXOFI-KRWDZBQOSA-N 1 3 364.559 2.916 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000108500169 507899560 /nfs/dbraw/zinc/89/95/60/507899560.db2.gz ITAKFRPTLVZTKE-QGZVFWFLSA-N 1 3 362.518 2.871 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000108552576 507903366 /nfs/dbraw/zinc/90/33/66/507903366.db2.gz MIHXWVJSFAQQKC-SFTDATJTSA-N 1 3 370.541 2.607 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000108552576 507903368 /nfs/dbraw/zinc/90/33/68/507903368.db2.gz MIHXWVJSFAQQKC-SFTDATJTSA-N 1 3 370.541 2.607 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000078954181 507919147 /nfs/dbraw/zinc/91/91/47/507919147.db2.gz ZIZYAMXTWIAJDV-SFHVURJKSA-N 1 3 358.530 2.814 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000079223946 507945888 /nfs/dbraw/zinc/94/58/88/507945888.db2.gz BGGMPIZJHPPZIT-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000079223946 507945891 /nfs/dbraw/zinc/94/58/91/507945891.db2.gz BGGMPIZJHPPZIT-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO C[NH+](C)CCC1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000091232471 507972199 /nfs/dbraw/zinc/97/21/99/507972199.db2.gz OMDIBBXNAZKAIO-UHFFFAOYSA-N 1 3 373.545 2.671 20 0 FFADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286820 507979218 /nfs/dbraw/zinc/97/92/18/507979218.db2.gz CFEYSGDZRSVDMX-BBWFWOEESA-N 1 3 367.559 2.743 20 0 FFADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286820 507979221 /nfs/dbraw/zinc/97/92/21/507979221.db2.gz CFEYSGDZRSVDMX-BBWFWOEESA-N 1 3 367.559 2.743 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C1CC1 ZINC000074200734 507997334 /nfs/dbraw/zinc/99/73/34/507997334.db2.gz HSOISASLVCIGBN-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C1CC1 ZINC000074200734 507997336 /nfs/dbraw/zinc/99/73/36/507997336.db2.gz HSOISASLVCIGBN-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)Cc1ccccc1 ZINC000080207261 508051427 /nfs/dbraw/zinc/05/14/27/508051427.db2.gz IYKDFSVUKOJDGH-LJQANCHMSA-N 1 3 369.509 2.530 20 0 FFADHO CC[NH+](CC)CCOC1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000080645628 508091099 /nfs/dbraw/zinc/09/10/99/508091099.db2.gz JOBFNFJBCDWHTH-UHFFFAOYSA-N 1 3 365.493 2.977 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N(C)Cc1ccccc1 ZINC000080692073 508094799 /nfs/dbraw/zinc/09/47/99/508094799.db2.gz RSDJBDASHDCFOO-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N(C)Cc1ccccc1 ZINC000080692073 508094802 /nfs/dbraw/zinc/09/48/02/508094802.db2.gz RSDJBDASHDCFOO-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)s1 ZINC000092750665 508099771 /nfs/dbraw/zinc/09/97/71/508099771.db2.gz FWFQWYXUWORDAA-GOEBONIOSA-N 1 3 367.559 2.792 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000111881316 508133701 /nfs/dbraw/zinc/13/37/01/508133701.db2.gz QDPFAAPCGVBFDQ-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000111881316 508133705 /nfs/dbraw/zinc/13/37/05/508133705.db2.gz QDPFAAPCGVBFDQ-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000076983606 508270457 /nfs/dbraw/zinc/27/04/57/508270457.db2.gz DNGZPEOWBVWATD-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000076983606 508270461 /nfs/dbraw/zinc/27/04/61/508270461.db2.gz DNGZPEOWBVWATD-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000084455772 508279537 /nfs/dbraw/zinc/27/95/37/508279537.db2.gz DACVVCNJMIVWGO-JKSUJKDBSA-N 1 3 352.548 2.694 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)C(C)(C)C[NH+](C)C ZINC000085424465 508308282 /nfs/dbraw/zinc/30/82/82/508308282.db2.gz IJODAFPMBFQIRQ-MRXNPFEDSA-N 1 3 366.525 2.875 20 0 FFADHO C[NH+]1CCC(O)(CNCc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000077450381 508317767 /nfs/dbraw/zinc/31/77/67/508317767.db2.gz KVXPIDVIDCJJJC-UHFFFAOYSA-N 1 3 368.525 2.771 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000104533145 508338197 /nfs/dbraw/zinc/33/81/97/508338197.db2.gz VKSIKHWNBYFCKC-UHFFFAOYSA-N 1 3 352.482 2.887 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000105123961 508362492 /nfs/dbraw/zinc/36/24/92/508362492.db2.gz TYUHVCUTYFSRSS-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000077740244 508363901 /nfs/dbraw/zinc/36/39/01/508363901.db2.gz UOFKHDRQSIFOMN-UHFFFAOYSA-N 1 3 370.541 2.620 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000077838241 508383116 /nfs/dbraw/zinc/38/31/16/508383116.db2.gz RGDPEXFXEVJVLS-VQTJNVASSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCN1CCCC1 ZINC000121843207 508430431 /nfs/dbraw/zinc/43/04/31/508430431.db2.gz NGNLQPRFPNVUPS-OALUTQOASA-N 1 3 372.557 2.880 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000115795654 508438180 /nfs/dbraw/zinc/43/81/80/508438180.db2.gz RAJOWOLFSPVDOD-FQEVSTJZSA-N 1 3 358.530 2.766 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000156608543 508448868 /nfs/dbraw/zinc/44/88/68/508448868.db2.gz DMGVDBYEMVXBPL-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO COC(=O)c1ccccc1-c1ccc(CNCC2CC[NH+](CCO)CC2)o1 ZINC000133856113 508459257 /nfs/dbraw/zinc/45/92/57/508459257.db2.gz ZAFLRWWOSYHRLF-UHFFFAOYSA-N 1 3 372.465 2.527 20 0 FFADHO COC(=O)c1ccccc1-c1ccc(C[NH2+]CC2CCN(CCO)CC2)o1 ZINC000133856113 508459264 /nfs/dbraw/zinc/45/92/64/508459264.db2.gz ZAFLRWWOSYHRLF-UHFFFAOYSA-N 1 3 372.465 2.527 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000133866277 508460812 /nfs/dbraw/zinc/46/08/12/508460812.db2.gz GAVYWYOSRKZFLB-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000134024521 508482822 /nfs/dbraw/zinc/48/28/22/508482822.db2.gz PXVUYIFFIAHWCK-GJYPPUQNSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000134024521 508482828 /nfs/dbraw/zinc/48/28/28/508482828.db2.gz PXVUYIFFIAHWCK-GJYPPUQNSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCN(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000122200355 508497754 /nfs/dbraw/zinc/49/77/54/508497754.db2.gz JPYALZSXNJVJSW-UHFFFAOYSA-N 1 3 358.530 2.639 20 0 FFADHO COc1ccc(C[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000122223920 508501648 /nfs/dbraw/zinc/50/16/48/508501648.db2.gz YTCFRTVCLZBLBT-QGZVFWFLSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128257780 508568911 /nfs/dbraw/zinc/56/89/11/508568911.db2.gz SIOUJWWEDJSRCH-MRXNPFEDSA-N 1 3 366.937 2.674 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000128281089 508572057 /nfs/dbraw/zinc/57/20/57/508572057.db2.gz DXJIGFALUHYMKG-INIZCTEOSA-N 1 3 358.530 2.595 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000153408509 508580090 /nfs/dbraw/zinc/58/00/90/508580090.db2.gz ZUAJGGFDRMBIIX-UHFFFAOYSA-N 1 3 360.546 2.848 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000157792208 508612701 /nfs/dbraw/zinc/61/27/01/508612701.db2.gz RJHUEDHCWZSKDD-UHFFFAOYSA-N 1 3 364.534 2.783 20 0 FFADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000123016012 508622252 /nfs/dbraw/zinc/62/22/52/508622252.db2.gz QKVGKBFUBSPDEW-LJQANCHMSA-N 1 3 358.530 2.636 20 0 FFADHO CCOC(=O)C1CCN(Cc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000158101427 508657194 /nfs/dbraw/zinc/65/71/94/508657194.db2.gz QYRHWSCFVOHICY-UHFFFAOYSA-N 1 3 359.514 2.604 20 0 FFADHO C[C@@H](Cn1cc(Br)cn1)NCc1cccc(C[NH+](C)C)c1 ZINC000123656503 508721752 /nfs/dbraw/zinc/72/17/52/508721752.db2.gz CLJHZKYKMFEJGJ-ZDUSSCGKSA-N 1 3 351.292 2.886 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000137700665 508763004 /nfs/dbraw/zinc/76/30/04/508763004.db2.gz KGQVGLDBZFYATD-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO C(NC1CC[NH+](C2CCCCC2)CC1)[C@@]1(N2CCOCC2)CCSC1 ZINC000154389079 508774237 /nfs/dbraw/zinc/77/42/37/508774237.db2.gz JENQPTBJKRQEEY-FQEVSTJZSA-N 1 3 367.603 2.581 20 0 FFADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@]1(N2CCOCC2)CCSC1 ZINC000154389079 508774239 /nfs/dbraw/zinc/77/42/39/508774239.db2.gz JENQPTBJKRQEEY-FQEVSTJZSA-N 1 3 367.603 2.581 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)N(C)Cc1ccccc1 ZINC000139900481 508796641 /nfs/dbraw/zinc/79/66/41/508796641.db2.gz MYRZPSYMTQIOAC-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N(C)Cc1ccccc1 ZINC000139900481 508796644 /nfs/dbraw/zinc/79/66/44/508796644.db2.gz MYRZPSYMTQIOAC-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000154524836 508802028 /nfs/dbraw/zinc/80/20/28/508802028.db2.gz SHVIALORBCTCRT-HXUWFJFHSA-N 1 3 369.557 3.000 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000154542509 508805429 /nfs/dbraw/zinc/80/54/29/508805429.db2.gz LYVNRFHDUSVXGE-SFHVURJKSA-N 1 3 361.530 2.916 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000154559099 508809449 /nfs/dbraw/zinc/80/94/49/508809449.db2.gz ONPJNDLHIXIKKI-APWZRJJASA-N 1 3 358.530 2.953 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CN1C1CC1 ZINC000130318066 508811810 /nfs/dbraw/zinc/81/18/10/508811810.db2.gz ZIXALZHPVVMOTN-BKVYNOPKSA-N 1 3 362.562 2.954 20 0 FFADHO C[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)N(C)Cc1ccccc1 ZINC000119663808 508839879 /nfs/dbraw/zinc/83/98/79/508839879.db2.gz CXIHBOJXGDCJEN-QHGAOEGBSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000131000067 508875075 /nfs/dbraw/zinc/87/50/75/508875075.db2.gz DHFLYDRDVGWIOE-SFHVURJKSA-N 1 3 364.534 2.721 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000131000067 508875080 /nfs/dbraw/zinc/87/50/80/508875080.db2.gz DHFLYDRDVGWIOE-SFHVURJKSA-N 1 3 364.534 2.721 20 0 FFADHO CC(C)Oc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(F)c1 ZINC000120024588 508912193 /nfs/dbraw/zinc/91/21/93/508912193.db2.gz ZJOSZYXZEPUEKN-UHFFFAOYSA-N 1 3 354.470 2.570 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000120181637 508944786 /nfs/dbraw/zinc/94/47/86/508944786.db2.gz ZHQVNTMFRAKFSI-VQIMIIECSA-N 1 3 358.530 2.953 20 0 FFADHO Cc1cccc2c(CC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c[nH]c21 ZINC000132297687 509011816 /nfs/dbraw/zinc/01/18/16/509011816.db2.gz CADHTPHMWVCLFE-UHFFFAOYSA-N 1 3 368.525 2.694 20 0 FFADHO Cc1ccc([C@H](C)CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000125674304 509015254 /nfs/dbraw/zinc/01/52/54/509015254.db2.gz ZIRWVNWGMLXUNN-GOSISDBHSA-N 1 3 372.557 2.956 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1OC(C)(C)C ZINC000132433828 509031715 /nfs/dbraw/zinc/03/17/15/509031715.db2.gz COGFUQXBERXEJY-UHFFFAOYSA-N 1 3 350.507 2.821 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000132812562 509078390 /nfs/dbraw/zinc/07/83/90/509078390.db2.gz ZFUZNNWJSDULML-IAGOWNOFSA-N 1 3 373.497 2.795 20 0 FFADHO CCN1CC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000156078090 509122496 /nfs/dbraw/zinc/12/24/96/509122496.db2.gz SEDZOIKXKMAVHT-IFMALSPDSA-N 1 3 358.574 2.909 20 0 FFADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c(F)cccc1F ZINC000121316159 509165837 /nfs/dbraw/zinc/16/58/37/509165837.db2.gz MPKBSUFPBSZVON-CQSZACIVSA-N 1 3 365.468 2.743 20 0 FFADHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000162515489 509242949 /nfs/dbraw/zinc/24/29/49/509242949.db2.gz CVJDLIVSPPJMJK-UHFFFAOYSA-N 1 3 351.494 2.713 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000248393668 509289747 /nfs/dbraw/zinc/28/97/47/509289747.db2.gz GZNFKWZPCWSBNI-LFUKPOHLSA-N 1 3 355.482 2.642 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000248394290 509290088 /nfs/dbraw/zinc/29/00/88/509290088.db2.gz FOQBLYFBVIYCAY-SLFFLAALSA-N 1 3 367.493 2.900 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000248394290 509290093 /nfs/dbraw/zinc/29/00/93/509290093.db2.gz FOQBLYFBVIYCAY-SLFFLAALSA-N 1 3 367.493 2.900 20 0 FFADHO O=C(NCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000248394290 509290102 /nfs/dbraw/zinc/29/01/02/509290102.db2.gz FOQBLYFBVIYCAY-SLFFLAALSA-N 1 3 367.493 2.900 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCO2 ZINC000248428217 509313576 /nfs/dbraw/zinc/31/35/76/509313576.db2.gz AOXKVAOXRNDBRU-DNVCBOLYSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCO2 ZINC000248428217 509313586 /nfs/dbraw/zinc/31/35/86/509313586.db2.gz AOXKVAOXRNDBRU-DNVCBOLYSA-N 1 3 354.450 2.833 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000176278531 509417821 /nfs/dbraw/zinc/41/78/21/509417821.db2.gz YORJWGKITFRBTA-BGYRXZFFSA-N 1 3 355.526 2.808 20 0 FFADHO NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCCCCC[NH+]1CCCCC1 ZINC000185923517 509428211 /nfs/dbraw/zinc/42/82/11/509428211.db2.gz TVTGZIDOPLOQTP-GOSISDBHSA-N 1 3 351.922 2.982 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163930976 509441751 /nfs/dbraw/zinc/44/17/51/509441751.db2.gz JIHAVYMSMXLSGK-GIWBLDEGSA-N 1 3 372.601 2.903 20 0 FFADHO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000164041213 509456171 /nfs/dbraw/zinc/45/61/71/509456171.db2.gz WVICTSNFHBMBQX-QZTJIDSGSA-N 1 3 361.555 2.835 20 0 FFADHO CCOC(=O)CCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000264343463 509468510 /nfs/dbraw/zinc/46/85/10/509468510.db2.gz DVHPCFSXWAAPEI-FQEVSTJZSA-N 1 3 362.514 2.707 20 0 FFADHO CCOC(=O)CCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000264343463 509468513 /nfs/dbraw/zinc/46/85/13/509468513.db2.gz DVHPCFSXWAAPEI-FQEVSTJZSA-N 1 3 362.514 2.707 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3CSCCN3)c2)CC1 ZINC000236638615 509469624 /nfs/dbraw/zinc/46/96/24/509469624.db2.gz VDTBUTRPTZCTDJ-LJQANCHMSA-N 1 3 361.555 2.630 20 0 FFADHO CC(C)C[C@H](N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000236682745 509479330 /nfs/dbraw/zinc/47/93/30/509479330.db2.gz IJXKQXWSOMPVQU-FQEVSTJZSA-N 1 3 361.530 2.547 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000176397749 509487396 /nfs/dbraw/zinc/48/73/96/509487396.db2.gz ZXTYQPFWLPLSCA-SJORKVTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000176397749 509487404 /nfs/dbraw/zinc/48/74/04/509487404.db2.gz ZXTYQPFWLPLSCA-SJORKVTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000248832714 509503531 /nfs/dbraw/zinc/50/35/31/509503531.db2.gz MSGKHPILYDTIHE-MDNKFWRPSA-N 1 3 358.530 2.679 20 0 FFADHO CCC[NH2+]CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000236809924 509508043 /nfs/dbraw/zinc/50/80/43/509508043.db2.gz YIOFXILRTFQGQR-KRWDZBQOSA-N 1 3 357.420 2.557 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000164548153 509514018 /nfs/dbraw/zinc/51/40/18/509514018.db2.gz WAVBMEBXDUVUEP-UHFFFAOYSA-N 1 3 363.505 2.572 20 0 FFADHO CCN(CC)[C@H](CNC(=O)CCC1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236875248 509521764 /nfs/dbraw/zinc/52/17/64/509521764.db2.gz SGIYESVHJDZUAJ-HXUWFJFHSA-N 1 3 361.530 2.974 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1 ZINC000236883874 509525581 /nfs/dbraw/zinc/52/55/81/509525581.db2.gz QJBHPHYPVRMEIH-LEWJYISDSA-N 1 3 353.510 2.626 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)c1cccc(OC)c1 ZINC000236883934 509525629 /nfs/dbraw/zinc/52/56/29/509525629.db2.gz RKSMUKBNNPUMIF-NHCUHLMSSA-N 1 3 369.509 2.764 20 0 FFADHO COCCOc1ccccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000267625118 509571316 /nfs/dbraw/zinc/57/13/16/509571316.db2.gz REMYBHVKZXGCMS-HDICACEKSA-N 1 3 350.503 2.691 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183126483 509614286 /nfs/dbraw/zinc/61/42/86/509614286.db2.gz UPPYSALFIGHEPM-RJGXRXQPSA-N 1 3 370.585 2.514 20 0 FFADHO OCC1(C[NH2+][C@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000183154977 509630776 /nfs/dbraw/zinc/63/07/76/509630776.db2.gz XXUINEPLQRFTJG-NJYVYQBISA-N 1 3 358.526 2.666 20 0 FFADHO C[C@@H](CC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237517428 509667521 /nfs/dbraw/zinc/66/75/21/509667521.db2.gz LDLZYEBQPANUQB-OALUTQOASA-N 1 3 372.557 2.573 20 0 FFADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000173617984 509678711 /nfs/dbraw/zinc/67/87/11/509678711.db2.gz KLGQHPGYCVUTQG-MRXNPFEDSA-N 1 3 356.514 2.678 20 0 FFADHO CN(C)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000264805918 509715936 /nfs/dbraw/zinc/71/59/36/509715936.db2.gz XHORXOJQDHBDLI-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000268038426 509730763 /nfs/dbraw/zinc/73/07/63/509730763.db2.gz XHIBJMHFGPLJNR-YXYSEUPNSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000268038426 509730772 /nfs/dbraw/zinc/73/07/72/509730772.db2.gz XHIBJMHFGPLJNR-YXYSEUPNSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000176885527 509744108 /nfs/dbraw/zinc/74/41/08/509744108.db2.gz KOQIHQXXRPJKKK-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000193032209 509744262 /nfs/dbraw/zinc/74/42/62/509744262.db2.gz KTJWNJRFQMUFLW-HXUWFJFHSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC000173740872 509747420 /nfs/dbraw/zinc/74/74/20/509747420.db2.gz UQEBKIQKNBEJTP-GHTZIAJQSA-N 1 3 372.557 2.818 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000170756381 509759318 /nfs/dbraw/zinc/75/93/18/509759318.db2.gz PYEGSNIIULNPJU-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccsc1 ZINC000173823291 509799216 /nfs/dbraw/zinc/79/92/16/509799216.db2.gz HDWMHBOZKVJTLV-MSOLQXFVSA-N 1 3 362.543 2.787 20 0 FFADHO O=C(C[C@H]1CSCCN1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000238090297 509817612 /nfs/dbraw/zinc/81/76/12/509817612.db2.gz BHVAABUJRAZMLM-IBGZPJMESA-N 1 3 361.555 2.774 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000251880365 509823308 /nfs/dbraw/zinc/82/33/08/509823308.db2.gz UUPPTGKRFWQJKG-PZJWPPBQSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000251880365 509823317 /nfs/dbraw/zinc/82/33/17/509823317.db2.gz UUPPTGKRFWQJKG-PZJWPPBQSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000252692289 509858762 /nfs/dbraw/zinc/85/87/62/509858762.db2.gz UFIIAAIWFWHKFW-AJYBTWMASA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000252692289 509858764 /nfs/dbraw/zinc/85/87/64/509858764.db2.gz UFIIAAIWFWHKFW-AJYBTWMASA-N 1 3 362.562 2.765 20 0 FFADHO CCN(CC)C(=O)CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268335649 509875910 /nfs/dbraw/zinc/87/59/10/509875910.db2.gz JVUZCWXNAGIQEM-UHFFFAOYSA-N 1 3 374.573 2.955 20 0 FFADHO c1cnn(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)cc2)c1 ZINC000173960504 509877620 /nfs/dbraw/zinc/87/76/20/509877620.db2.gz MYKOPWOOSVNITA-UHFFFAOYSA-N 1 3 354.498 2.949 20 0 FFADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000245495318 509965619 /nfs/dbraw/zinc/96/56/19/509965619.db2.gz PFRXOKVOPFVTEG-OTWHNJEPSA-N 1 3 365.562 2.741 20 0 FFADHO C[C@]1(C[NH3+])CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000261670894 510021124 /nfs/dbraw/zinc/02/11/24/510021124.db2.gz ACTZBXLDBIUANT-MSOLQXFVSA-N 1 3 369.431 2.638 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Br)s1 ZINC000177378555 510023651 /nfs/dbraw/zinc/02/36/51/510023651.db2.gz HXYVAYARFNUAAD-UHFFFAOYSA-N 1 3 360.365 2.968 20 0 FFADHO Cc1cc2oc(=O)cc(CN(C)CCN(C)C3CC[NH+](C)CC3)c2cc1C ZINC000177377219 510022148 /nfs/dbraw/zinc/02/21/48/510022148.db2.gz FBDJXDCCSVNMFF-UHFFFAOYSA-N 1 3 371.525 2.868 20 0 FFADHO CN(CCN1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000268596987 510028051 /nfs/dbraw/zinc/02/80/51/510028051.db2.gz WQKBZVWAYWBPHU-JOCHJYFZSA-N 1 3 358.574 2.610 20 0 FFADHO CN(CCN1CCN(CC[C@H]2CCCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000268596987 510028055 /nfs/dbraw/zinc/02/80/55/510028055.db2.gz WQKBZVWAYWBPHU-JOCHJYFZSA-N 1 3 358.574 2.610 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245650923 510063430 /nfs/dbraw/zinc/06/34/30/510063430.db2.gz MVVINBICJVEUNO-HOJAQTOUSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245650923 510063438 /nfs/dbraw/zinc/06/34/38/510063438.db2.gz MVVINBICJVEUNO-HOJAQTOUSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245650930 510063818 /nfs/dbraw/zinc/06/38/18/510063818.db2.gz MVVINBICJVEUNO-YZGWKJHDSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245650930 510063825 /nfs/dbraw/zinc/06/38/25/510063825.db2.gz MVVINBICJVEUNO-YZGWKJHDSA-N 1 3 358.530 2.709 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245664321 510071182 /nfs/dbraw/zinc/07/11/82/510071182.db2.gz QOGXEBIVGNROIJ-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261876800 510097717 /nfs/dbraw/zinc/09/77/17/510097717.db2.gz OTSVPVZOKFTXHR-NHCUHLMSSA-N 1 3 357.542 2.965 20 0 FFADHO CCC(CC)(CNC(=O)[C@H](N)C1CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC000261893999 510104672 /nfs/dbraw/zinc/10/46/72/510104672.db2.gz VVFPKROWLLACLE-VQIMIIECSA-N 1 3 361.530 2.766 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261934580 510122245 /nfs/dbraw/zinc/12/22/45/510122245.db2.gz LWSYPTFKPHBQBX-MJGOQNOKSA-N 1 3 361.555 2.951 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](C[C@@H]1CCCNC1)CC2 ZINC000261934580 510122247 /nfs/dbraw/zinc/12/22/47/510122247.db2.gz LWSYPTFKPHBQBX-MJGOQNOKSA-N 1 3 361.555 2.951 20 0 FFADHO C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000261961178 510128432 /nfs/dbraw/zinc/12/84/32/510128432.db2.gz ORANALVVGOMHSY-UONOGXRCSA-N 1 3 368.319 2.687 20 0 FFADHO CC[NH+]1CCC(CCNCc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000174551052 510173296 /nfs/dbraw/zinc/17/32/96/510173296.db2.gz UTQUMOHCOJYHLS-UHFFFAOYSA-N 1 3 373.541 2.899 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cccc(C(F)F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262121381 510184235 /nfs/dbraw/zinc/18/42/35/510184235.db2.gz CCKMXOMZGAKTDC-NVXWUHKLSA-N 1 3 351.441 2.704 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262222113 510214382 /nfs/dbraw/zinc/21/43/82/510214382.db2.gz FTJKJCQNQBVTCB-ZVBHREPYSA-N 1 3 361.505 2.870 20 0 FFADHO CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000262265564 510226662 /nfs/dbraw/zinc/22/66/62/510226662.db2.gz JWFYNYJNPIKHAZ-HYUQFDPSSA-N 1 3 355.526 2.873 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)N(C)C)cc1 ZINC000245958219 510227291 /nfs/dbraw/zinc/22/72/91/510227291.db2.gz MGOCYENBOSIKEQ-ZCNNSNEGSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)N(C)C)cc1 ZINC000245958219 510227298 /nfs/dbraw/zinc/22/72/98/510227298.db2.gz MGOCYENBOSIKEQ-ZCNNSNEGSA-N 1 3 358.530 2.723 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245965931 510232217 /nfs/dbraw/zinc/23/22/17/510232217.db2.gz UHUCFODEMBQKCU-XLIONFOSSA-N 1 3 373.545 2.781 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245965931 510232222 /nfs/dbraw/zinc/23/22/22/510232222.db2.gz UHUCFODEMBQKCU-XLIONFOSSA-N 1 3 373.545 2.781 20 0 FFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000246039191 510260145 /nfs/dbraw/zinc/26/01/45/510260145.db2.gz WYCAUOZIFQFOMR-PXNSSMCTSA-N 1 3 362.562 2.909 20 0 FFADHO CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)C1CCN(Cc2ccccc2)CC1 ZINC000262381670 510262147 /nfs/dbraw/zinc/26/21/47/510262147.db2.gz NAQJEOGEORQFDO-SIKLNZKXSA-N 1 3 355.526 2.889 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262399519 510267476 /nfs/dbraw/zinc/26/74/76/510267476.db2.gz ZNRJDIMHRGQBBB-KLHFOMLHSA-N 1 3 361.505 2.870 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)[N@H+](C)C1CC1 ZINC000174736147 510280507 /nfs/dbraw/zinc/28/05/07/510280507.db2.gz KCLULIZCJRPENW-RKVPGOIHSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC000174736147 510280517 /nfs/dbraw/zinc/28/05/17/510280517.db2.gz KCLULIZCJRPENW-RKVPGOIHSA-N 1 3 364.559 2.913 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000246101344 510292741 /nfs/dbraw/zinc/29/27/41/510292741.db2.gz HFLXLVBJFXIAQK-LZLYRXPVSA-N 1 3 364.559 2.867 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246187660 510348080 /nfs/dbraw/zinc/34/80/80/510348080.db2.gz MGVNDZPMVPJYLR-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246187660 510348087 /nfs/dbraw/zinc/34/80/87/510348087.db2.gz MGVNDZPMVPJYLR-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194443511 510367501 /nfs/dbraw/zinc/36/75/01/510367501.db2.gz NVWWIVMRYNLACQ-FQEVSTJZSA-N 1 3 360.546 2.738 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194443511 510367507 /nfs/dbraw/zinc/36/75/07/510367507.db2.gz NVWWIVMRYNLACQ-FQEVSTJZSA-N 1 3 360.546 2.738 20 0 FFADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1(C)C ZINC000262803186 510418688 /nfs/dbraw/zinc/41/86/88/510418688.db2.gz RPKQRFWSCTXZCR-MDZRGWNJSA-N 1 3 367.559 2.780 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246443309 510492128 /nfs/dbraw/zinc/49/21/28/510492128.db2.gz NUTOYCZCCVZRID-AZUAARDMSA-N 1 3 360.546 2.957 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246443309 510492133 /nfs/dbraw/zinc/49/21/33/510492133.db2.gz NUTOYCZCCVZRID-AZUAARDMSA-N 1 3 360.546 2.957 20 0 FFADHO CN1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000181631233 510511517 /nfs/dbraw/zinc/51/15/17/510511517.db2.gz UUJFYIQPSAMJJD-UHFFFAOYSA-N 1 3 360.502 2.721 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246536223 510544464 /nfs/dbraw/zinc/54/44/64/510544464.db2.gz FULOZUNEORMADM-GUDVDZBRSA-N 1 3 365.562 2.599 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])N2CCCC2)cc1 ZINC000263116563 510569356 /nfs/dbraw/zinc/56/93/56/510569356.db2.gz APOSKGFGKBNFEU-DYXWJJEUSA-N 1 3 359.514 2.856 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1(C)C ZINC000188061801 510572290 /nfs/dbraw/zinc/57/22/90/510572290.db2.gz XGPQPSZAVCVWMN-NQIIRXRSSA-N 1 3 361.530 2.676 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1(C)C ZINC000188061801 510572296 /nfs/dbraw/zinc/57/22/96/510572296.db2.gz XGPQPSZAVCVWMN-NQIIRXRSSA-N 1 3 361.530 2.676 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178409965 510589809 /nfs/dbraw/zinc/58/98/09/510589809.db2.gz UPIFLUIOESBUSA-QGZVFWFLSA-N 1 3 365.543 2.753 20 0 FFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000263270728 510639249 /nfs/dbraw/zinc/63/92/49/510639249.db2.gz WUNQJGBYOVVEEC-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000263270728 510639258 /nfs/dbraw/zinc/63/92/58/510639258.db2.gz WUNQJGBYOVVEEC-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000263270728 510639265 /nfs/dbraw/zinc/63/92/65/510639265.db2.gz WUNQJGBYOVVEEC-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246809402 510686414 /nfs/dbraw/zinc/68/64/14/510686414.db2.gz BDKZMGAAXQMMIC-OALUTQOASA-N 1 3 361.505 2.838 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246809402 510686422 /nfs/dbraw/zinc/68/64/22/510686422.db2.gz BDKZMGAAXQMMIC-OALUTQOASA-N 1 3 361.505 2.838 20 0 FFADHO C[C@@H](CCNC(=O)N(C)C[C@@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640891 510707218 /nfs/dbraw/zinc/70/72/18/510707218.db2.gz KPTPQZUAEXEZDP-AZUAARDMSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H](CCNC(=O)N(C)C[C@@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640891 510707225 /nfs/dbraw/zinc/70/72/25/510707225.db2.gz KPTPQZUAEXEZDP-AZUAARDMSA-N 1 3 360.546 2.880 20 0 FFADHO Cn1ncc2c1CCC[C@H]2[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000178699225 510726161 /nfs/dbraw/zinc/72/61/61/510726161.db2.gz SBBZSGZTOXIUMT-OAQYLSRUSA-N 1 3 367.541 2.990 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000182061131 510735266 /nfs/dbraw/zinc/73/52/66/510735266.db2.gz YUILQRZSFACVQE-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247139899 510844490 /nfs/dbraw/zinc/84/44/90/510844490.db2.gz SEDZOIKXKMAVHT-UNMCSNQZSA-N 1 3 358.574 2.909 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CN1Cc1ccccc1 ZINC000247286926 510855675 /nfs/dbraw/zinc/85/56/75/510855675.db2.gz TYHPZZVIRXDAHM-PBASOCQRSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CN1Cc1ccccc1 ZINC000247286926 510855676 /nfs/dbraw/zinc/85/56/76/510855676.db2.gz TYHPZZVIRXDAHM-PBASOCQRSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H]1CCCN1C ZINC000247384834 510859273 /nfs/dbraw/zinc/85/92/73/510859273.db2.gz LIDGDPCQGWQXRE-ZHALLVOQSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCCN1CCN(c2ccccc2)CC1 ZINC000285426504 510901714 /nfs/dbraw/zinc/90/17/14/510901714.db2.gz DYJKHKIUQAXOIT-RBBKRZOGSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000285426504 510901722 /nfs/dbraw/zinc/90/17/22/510901722.db2.gz DYJKHKIUQAXOIT-RBBKRZOGSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000285426504 510901726 /nfs/dbraw/zinc/90/17/26/510901726.db2.gz DYJKHKIUQAXOIT-RBBKRZOGSA-N 1 3 356.558 2.757 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000285427826 510903026 /nfs/dbraw/zinc/90/30/26/510903026.db2.gz YMDZKUUOONVKBX-HXUWFJFHSA-N 1 3 367.493 2.851 20 0 FFADHO CCOc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC(F)F ZINC000282357429 510943670 /nfs/dbraw/zinc/94/36/70/510943670.db2.gz NAKXTPMQAZRWJU-UHFFFAOYSA-N 1 3 371.472 2.802 20 0 FFADHO CCOc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(Cl)c1[O-] ZINC000297594671 511001903 /nfs/dbraw/zinc/00/19/03/511001903.db2.gz FKGOKDISEAERQK-AWEZNQCLSA-N 1 3 370.921 2.969 20 0 FFADHO CCOc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(Cl)c1[O-] ZINC000297594671 511001899 /nfs/dbraw/zinc/00/18/99/511001899.db2.gz FKGOKDISEAERQK-AWEZNQCLSA-N 1 3 370.921 2.969 20 0 FFADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@@H]1SC ZINC000297683900 511032637 /nfs/dbraw/zinc/03/26/37/511032637.db2.gz PIJVTDLPXQFZLU-WCIQWLHISA-N 1 3 364.555 2.642 20 0 FFADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[C@@H]1SC ZINC000297683900 511032642 /nfs/dbraw/zinc/03/26/42/511032642.db2.gz PIJVTDLPXQFZLU-WCIQWLHISA-N 1 3 364.555 2.642 20 0 FFADHO Cc1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000282589665 511037261 /nfs/dbraw/zinc/03/72/61/511037261.db2.gz GWADEUZHRNFBOV-SFHVURJKSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1ccc(CNCCC[N@H+]2CCCO[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000282589665 511037268 /nfs/dbraw/zinc/03/72/68/511037268.db2.gz GWADEUZHRNFBOV-SFHVURJKSA-N 1 3 356.514 2.986 20 0 FFADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1Cc1ccc(F)cc1 ZINC000298023655 511145263 /nfs/dbraw/zinc/14/52/63/511145263.db2.gz DZFNXKJKRSOSEY-HXUWFJFHSA-N 1 3 368.456 2.580 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000291567668 511249611 /nfs/dbraw/zinc/24/96/11/511249611.db2.gz DJBVRLPVRNRPED-TZIWHRDSSA-N 1 3 356.514 2.561 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000291567668 511249616 /nfs/dbraw/zinc/24/96/16/511249616.db2.gz DJBVRLPVRNRPED-TZIWHRDSSA-N 1 3 356.514 2.561 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000283170766 511262463 /nfs/dbraw/zinc/26/24/63/511262463.db2.gz JDEZRTPNKHRFNT-VQTJNVASSA-N 1 3 373.541 2.784 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333532178 511276864 /nfs/dbraw/zinc/27/68/64/511276864.db2.gz ICPDKEMQWDYOGJ-YRPNKDGESA-N 1 3 370.541 2.666 20 0 FFADHO FC(F)(F)c1ccnc(NCC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000298434494 511283450 /nfs/dbraw/zinc/28/34/50/511283450.db2.gz NDHDNRMSOVYVOS-UHFFFAOYSA-N 1 3 366.391 2.561 20 0 FFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000298564475 511330554 /nfs/dbraw/zinc/33/05/54/511330554.db2.gz WIWPGPCHOSVUFS-HNNXBMFYSA-N 1 3 350.466 2.920 20 0 FFADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271815203 511335254 /nfs/dbraw/zinc/33/52/54/511335254.db2.gz UZSJMRKIIOHGNJ-QFBILLFUSA-N 1 3 359.514 2.869 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC1=CCN(C)CC1 ZINC000271828715 511340557 /nfs/dbraw/zinc/34/05/57/511340557.db2.gz DSGQVFWXJBUFCG-QZTJIDSGSA-N 1 3 370.541 2.704 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]CCCN(C)Cc2ccccc2)CC1 ZINC000271863554 511350733 /nfs/dbraw/zinc/35/07/33/511350733.db2.gz ZOKKEMXHYNRTSN-UHFFFAOYSA-N 1 3 361.530 2.516 20 0 FFADHO CN1CC=C(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272114649 511436827 /nfs/dbraw/zinc/43/68/27/511436827.db2.gz RMQOPLMIBKNPLZ-SEJPIABJSA-N 1 3 368.525 2.743 20 0 FFADHO CN1CC=C(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000272114649 511436832 /nfs/dbraw/zinc/43/68/32/511436832.db2.gz RMQOPLMIBKNPLZ-SEJPIABJSA-N 1 3 368.525 2.743 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000283628537 511441585 /nfs/dbraw/zinc/44/15/85/511441585.db2.gz BISSAWIVJJIJGT-KBXCAEBGSA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000283628537 511441591 /nfs/dbraw/zinc/44/15/91/511441591.db2.gz BISSAWIVJJIJGT-KBXCAEBGSA-N 1 3 364.921 2.726 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272157259 511449757 /nfs/dbraw/zinc/44/97/57/511449757.db2.gz CZTCMUNXIUUIDO-USXIJHARSA-N 1 3 369.431 2.650 20 0 FFADHO Cc1nccn1CCCN(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284261985 511659903 /nfs/dbraw/zinc/65/99/03/511659903.db2.gz WXWVSNWEABHLSW-OAQYLSRUSA-N 1 3 356.514 2.805 20 0 FFADHO Cc1nccn1CCCN(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284261985 511659907 /nfs/dbraw/zinc/65/99/07/511659907.db2.gz WXWVSNWEABHLSW-OAQYLSRUSA-N 1 3 356.514 2.805 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000292680701 511682851 /nfs/dbraw/zinc/68/28/51/511682851.db2.gz XKGCMDBENKYIJQ-SJORKVTESA-N 1 3 361.534 2.635 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000292680701 511682856 /nfs/dbraw/zinc/68/28/56/511682856.db2.gz XKGCMDBENKYIJQ-SJORKVTESA-N 1 3 361.534 2.635 20 0 FFADHO C[NH+]1CCC(CC(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000365866190 511697746 /nfs/dbraw/zinc/69/77/46/511697746.db2.gz LKTGGEKLULOWGI-UHFFFAOYSA-N 1 3 353.576 2.586 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000274619481 511890703 /nfs/dbraw/zinc/89/07/03/511890703.db2.gz MAVRCUDFQNEHKP-RZUBCFFCSA-N 1 3 358.574 2.655 20 0 FFADHO COCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000293378025 511942009 /nfs/dbraw/zinc/94/20/09/511942009.db2.gz IFPQJGVVZSDZPS-PCCBWWKXSA-N 1 3 358.526 2.930 20 0 FFADHO C[C@H](N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274905747 511983454 /nfs/dbraw/zinc/98/34/54/511983454.db2.gz MBMVAGRYQZXJAW-TYPHKJRUSA-N 1 3 365.525 2.946 20 0 FFADHO C[C@H](N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274905747 511983459 /nfs/dbraw/zinc/98/34/59/511983459.db2.gz MBMVAGRYQZXJAW-TYPHKJRUSA-N 1 3 365.525 2.946 20 0 FFADHO COC[C@H]1CCCCN(CC2(C[N@@H+]3CCCC[C@H](COC)C3)COC2)C1 ZINC000364150342 511985485 /nfs/dbraw/zinc/98/54/85/511985485.db2.gz NNYVGPNAUNEBQA-PMACEKPBSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@H]1CCCCN(CC2(C[N@H+]3CCCC[C@H](COC)C3)COC2)C1 ZINC000364150342 511985490 /nfs/dbraw/zinc/98/54/90/511985490.db2.gz NNYVGPNAUNEBQA-PMACEKPBSA-N 1 3 368.562 2.500 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297040709 511997076 /nfs/dbraw/zinc/99/70/76/511997076.db2.gz MNMNFONWDGMGHV-XCDJFROHSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297040709 511997081 /nfs/dbraw/zinc/99/70/81/511997081.db2.gz MNMNFONWDGMGHV-XCDJFROHSA-N 1 3 370.541 2.821 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000285219897 512041547 /nfs/dbraw/zinc/04/15/47/512041547.db2.gz OWBJFVKEYBABSJ-NRFANRHFSA-N 1 3 367.493 2.851 20 0 FFADHO C[C@H](NCCCCC[NH+]1CCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000293823455 512092767 /nfs/dbraw/zinc/09/27/67/512092767.db2.gz WMYOTWBEAORKFD-KRWDZBQOSA-N 1 3 367.559 2.854 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367560932 512558344 /nfs/dbraw/zinc/55/83/44/512558344.db2.gz CEPMDHCJVGREFN-MYGLTJDJSA-N 1 3 351.494 2.658 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367560932 512558346 /nfs/dbraw/zinc/55/83/46/512558346.db2.gz CEPMDHCJVGREFN-MYGLTJDJSA-N 1 3 351.494 2.658 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccnc1 ZINC000367560932 512558349 /nfs/dbraw/zinc/55/83/49/512558349.db2.gz CEPMDHCJVGREFN-MYGLTJDJSA-N 1 3 351.494 2.658 20 0 FFADHO COC(=O)COc1c(C)cc(C[NH2+]C2CC(N3CCCCC3)C2)cc1C ZINC000376019378 512618985 /nfs/dbraw/zinc/61/89/85/512618985.db2.gz AHFXLOPBADYPAQ-UHFFFAOYSA-N 1 3 360.498 2.962 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000369870477 512657218 /nfs/dbraw/zinc/65/72/18/512657218.db2.gz GKOHAYGWZLMUKJ-HLLBOEOZSA-N 1 3 352.548 2.770 20 0 FFADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000411800855 512818492 /nfs/dbraw/zinc/81/84/92/512818492.db2.gz NAOIJGDCIMUIIA-KSEOMHKRSA-N 1 3 355.526 2.809 20 0 FFADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000411800855 512818496 /nfs/dbraw/zinc/81/84/96/512818496.db2.gz NAOIJGDCIMUIIA-KSEOMHKRSA-N 1 3 355.526 2.809 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000382721671 512878747 /nfs/dbraw/zinc/87/87/47/512878747.db2.gz NOEKZJXWVYHXNH-GHTZIAJQSA-N 1 3 351.494 2.852 20 0 FFADHO CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388858238 512897774 /nfs/dbraw/zinc/89/77/74/512897774.db2.gz OXGAPZGZNOIQHE-SFTDATJTSA-N 1 3 351.494 2.852 20 0 FFADHO CC1(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000368372993 512918408 /nfs/dbraw/zinc/91/84/08/512918408.db2.gz ACRYQJXIJAVTKU-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO CC1(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000368372993 512918415 /nfs/dbraw/zinc/91/84/15/512918415.db2.gz ACRYQJXIJAVTKU-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394472301 512936062 /nfs/dbraw/zinc/93/60/62/512936062.db2.gz YJFBLNODRYIELF-HXUWFJFHSA-N 1 3 367.493 2.553 20 0 FFADHO Cc1csc(N2CCC([NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000370651305 513033695 /nfs/dbraw/zinc/03/36/95/513033695.db2.gz JFXOCVFKKKTIKH-IRXDYDNUSA-N 1 3 366.575 2.899 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412339592 513044650 /nfs/dbraw/zinc/04/46/50/513044650.db2.gz PWWIHSAJSDSUSY-SFHVURJKSA-N 1 3 353.576 2.538 20 0 FFADHO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370709447 513063925 /nfs/dbraw/zinc/06/39/25/513063925.db2.gz JMSFOJWVJRKLQM-JXFKEZNVSA-N 1 3 371.504 2.674 20 0 FFADHO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370709447 513063928 /nfs/dbraw/zinc/06/39/28/513063928.db2.gz JMSFOJWVJRKLQM-JXFKEZNVSA-N 1 3 371.504 2.674 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000370710423 513064325 /nfs/dbraw/zinc/06/43/25/513064325.db2.gz UAPYGRPVSMPFDP-FXAWDEMLSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000370710423 513064327 /nfs/dbraw/zinc/06/43/27/513064327.db2.gz UAPYGRPVSMPFDP-FXAWDEMLSA-N 1 3 357.542 2.858 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000372872849 513084021 /nfs/dbraw/zinc/08/40/21/513084021.db2.gz LVIMGTZZBIMHME-AZUAARDMSA-N 1 3 361.505 2.980 20 0 FFADHO NC1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)Cc2ccccc2C1 ZINC000370768133 513090819 /nfs/dbraw/zinc/09/08/19/513090819.db2.gz YLHNMKAIRCYEDM-UHFFFAOYSA-N 1 3 369.534 2.573 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCC2)N2CCCC2)cc1 ZINC000445847288 513127791 /nfs/dbraw/zinc/12/77/91/513127791.db2.gz QHUALCGLZJRAGL-IBGZPJMESA-N 1 3 358.530 2.915 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC2([NH+](C)C)CCC2)[C@@H]1c1cccs1 ZINC000445873281 513135284 /nfs/dbraw/zinc/13/52/84/513135284.db2.gz DQQYYYGMJWTJHY-NVXWUHKLSA-N 1 3 364.559 2.915 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000424417967 513135457 /nfs/dbraw/zinc/13/54/57/513135457.db2.gz MWTKWBYQMIRQFY-QZTJIDSGSA-N 1 3 362.543 2.669 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 ZINC000415199228 513148879 /nfs/dbraw/zinc/14/88/79/513148879.db2.gz DFVFDDDSDAZMFX-UHFFFAOYSA-N 1 3 362.518 2.789 20 0 FFADHO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cccc(CN(C)C)c1 ZINC000412564693 513164503 /nfs/dbraw/zinc/16/45/03/513164503.db2.gz OVJUGANLLKDHNY-UHFFFAOYSA-N 1 3 371.481 2.950 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417729380 513183652 /nfs/dbraw/zinc/18/36/52/513183652.db2.gz CBEUWOKBNQFGAX-BFYDXBDKSA-N 1 3 352.548 2.804 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000417851931 513238781 /nfs/dbraw/zinc/23/87/81/513238781.db2.gz YZFDZHWCCKCXBC-MISYRCLQSA-N 1 3 358.530 2.871 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)NC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000417922355 513279030 /nfs/dbraw/zinc/27/90/30/513279030.db2.gz ISKNUPISHOXXPU-DOADOZAASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)NC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000417922355 513279034 /nfs/dbraw/zinc/27/90/34/513279034.db2.gz ISKNUPISHOXXPU-DOADOZAASA-N 1 3 358.530 2.679 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CCC1 ZINC000429120145 513282384 /nfs/dbraw/zinc/28/23/84/513282384.db2.gz CWZJJQQJAVXTKZ-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418024837 513339549 /nfs/dbraw/zinc/33/95/49/513339549.db2.gz CWAMPYQLMKYBGD-VQTJNVASSA-N 1 3 360.546 2.974 20 0 FFADHO C[C@]1(CNC(=O)NCC[C@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418048530 513352279 /nfs/dbraw/zinc/35/22/79/513352279.db2.gz VZXATEMZDQCPRC-WIYYLYMNSA-N 1 3 358.530 2.730 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000446937092 513363910 /nfs/dbraw/zinc/36/39/10/513363910.db2.gz QBLNCMYYOOFVOD-GGPKGHCWSA-N 1 3 357.502 2.881 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000446937091 513363986 /nfs/dbraw/zinc/36/39/86/513363986.db2.gz QBLNCMYYOOFVOD-BJLQDIEVSA-N 1 3 357.502 2.881 20 0 FFADHO CCCc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c2ccccc2n1 ZINC000450894848 513389072 /nfs/dbraw/zinc/38/90/72/513389072.db2.gz WOFIRESCWAQVBG-GOSISDBHSA-N 1 3 366.509 2.978 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418143440 513390446 /nfs/dbraw/zinc/39/04/46/513390446.db2.gz MEENWDZJVXGHQM-FFZOFVMBSA-N 1 3 358.530 2.666 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH2+]C1CC1 ZINC000418151190 513392549 /nfs/dbraw/zinc/39/25/49/513392549.db2.gz FEPLCANIEWOSTL-LJQANCHMSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418161607 513397766 /nfs/dbraw/zinc/39/77/66/513397766.db2.gz BZWPEKIYMRIWQB-RCOXNQKVSA-N 1 3 366.509 2.814 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC000418184761 513410557 /nfs/dbraw/zinc/41/05/57/513410557.db2.gz AALAXVOEBFOGGN-ICSRJNTNSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000418187116 513411839 /nfs/dbraw/zinc/41/18/39/513411839.db2.gz CXDSTSIADCYSJP-QBAGFEOCSA-N 1 3 356.514 2.574 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418194986 513416076 /nfs/dbraw/zinc/41/60/76/513416076.db2.gz PKBIWYFZNJNNKD-UYAOXDASSA-N 1 3 360.546 2.787 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N(CC)CC)cc1 ZINC000418214018 513423821 /nfs/dbraw/zinc/42/38/21/513423821.db2.gz LLJSLQLIRBKTHY-QUCCMNQESA-N 1 3 360.546 2.931 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418234044 513433646 /nfs/dbraw/zinc/43/36/46/513433646.db2.gz PPSYLTSEMCYPMD-LESCRADOSA-N 1 3 364.559 2.780 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000418238102 513436681 /nfs/dbraw/zinc/43/66/81/513436681.db2.gz WVZZFCAMIHCXRE-YJBOKZPZSA-N 1 3 364.559 2.652 20 0 FFADHO CC1(C)CN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000418246703 513440962 /nfs/dbraw/zinc/44/09/62/513440962.db2.gz UHCWDOCJBVTDNW-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CC1(C)CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000418246703 513440970 /nfs/dbraw/zinc/44/09/70/513440970.db2.gz UHCWDOCJBVTDNW-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000421814880 513443231 /nfs/dbraw/zinc/44/32/31/513443231.db2.gz RUGVWVFXFIYBLB-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000421814880 513443235 /nfs/dbraw/zinc/44/32/35/513443235.db2.gz RUGVWVFXFIYBLB-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Cl)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000421824116 513445442 /nfs/dbraw/zinc/44/54/42/513445442.db2.gz HDBBLKDTWDRHDS-ZFWWWQNUSA-N 1 3 355.885 2.587 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Cl)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000421824116 513445445 /nfs/dbraw/zinc/44/54/45/513445445.db2.gz HDBBLKDTWDRHDS-ZFWWWQNUSA-N 1 3 355.885 2.587 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000440964268 513446674 /nfs/dbraw/zinc/44/66/74/513446674.db2.gz XOLMSIMQABMDEM-VVLHAWIVSA-N 1 3 350.551 2.667 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000440964268 513446684 /nfs/dbraw/zinc/44/66/84/513446684.db2.gz XOLMSIMQABMDEM-VVLHAWIVSA-N 1 3 350.551 2.667 20 0 FFADHO C[NH2+]CCCNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418277993 513448823 /nfs/dbraw/zinc/44/88/23/513448823.db2.gz KEYVNSDPJXHKSC-HXUWFJFHSA-N 1 3 372.557 2.928 20 0 FFADHO CCN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000434867324 513450663 /nfs/dbraw/zinc/45/06/63/513450663.db2.gz DOCXFKSAPAZYHC-BHIYHBOVSA-N 1 3 361.555 2.766 20 0 FFADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000421862777 513454101 /nfs/dbraw/zinc/45/41/01/513454101.db2.gz WRJQQXAHXAHYJJ-KRWDZBQOSA-N 1 3 373.541 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CN1C1CC1 ZINC000441061707 513471010 /nfs/dbraw/zinc/47/10/10/513471010.db2.gz XFSSDUVCRLQLEU-POAQFYNOSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CN1C1CC1 ZINC000441061707 513471020 /nfs/dbraw/zinc/47/10/20/513471020.db2.gz XFSSDUVCRLQLEU-POAQFYNOSA-N 1 3 362.562 2.956 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418369567 513486001 /nfs/dbraw/zinc/48/60/01/513486001.db2.gz NRAODAPIFSHKPA-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccco1 ZINC000415944842 513491838 /nfs/dbraw/zinc/49/18/38/513491838.db2.gz JNJGJTHXMQZUAE-PBHICJAKSA-N 1 3 360.458 2.868 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418390772 513492494 /nfs/dbraw/zinc/49/24/94/513492494.db2.gz UAPPHEAYFOENRS-FPOVZHCZSA-N 1 3 358.530 2.667 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000415948057 513494073 /nfs/dbraw/zinc/49/40/73/513494073.db2.gz TTWXPBIHNAQQRD-MOPGFXCFSA-N 1 3 354.454 2.591 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000415956989 513498615 /nfs/dbraw/zinc/49/86/15/513498615.db2.gz SLRWQPFOVBMTRA-SWLSCSKDSA-N 1 3 356.392 2.722 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418412522 513499261 /nfs/dbraw/zinc/49/92/61/513499261.db2.gz QBACETSFYBGGID-YZGWKJHDSA-N 1 3 358.530 2.667 20 0 FFADHO NCc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000415972448 513510472 /nfs/dbraw/zinc/51/04/72/513510472.db2.gz OVENTTSUCXXSPW-UKRRQHHQSA-N 1 3 356.392 2.912 20 0 FFADHO NCc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000415972448 513510477 /nfs/dbraw/zinc/51/04/77/513510477.db2.gz OVENTTSUCXXSPW-UKRRQHHQSA-N 1 3 356.392 2.912 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc3c(c2)CNC3)c1 ZINC000415997970 513529849 /nfs/dbraw/zinc/52/98/49/513529849.db2.gz QWMLSFUGFLODOB-UHFFFAOYSA-N 1 3 354.454 2.552 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000415999831 513530288 /nfs/dbraw/zinc/53/02/88/513530288.db2.gz WDYPTSAUAIHVJW-UHFFFAOYSA-N 1 3 354.454 2.552 20 0 FFADHO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418517826 513541659 /nfs/dbraw/zinc/54/16/59/513541659.db2.gz LOLXDPRQVJYIOF-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418536047 513546781 /nfs/dbraw/zinc/54/67/81/513546781.db2.gz ICJOYZBQNKVQRA-WMZOPIPTSA-N 1 3 352.910 2.632 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418536046 513547298 /nfs/dbraw/zinc/54/72/98/513547298.db2.gz ICJOYZBQNKVQRA-SJLPKXTDSA-N 1 3 352.910 2.632 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000416044121 513553643 /nfs/dbraw/zinc/55/36/43/513553643.db2.gz LTLHGUPXJIPYTJ-CHWSQXEVSA-N 1 3 366.815 2.522 20 0 FFADHO COc1ccc2oc(CN3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000435371213 513567822 /nfs/dbraw/zinc/56/78/22/513567822.db2.gz LXHXGDPMMNUHDP-KXBFYZLASA-N 1 3 371.481 2.522 20 0 FFADHO CN(C(=O)NCCC1=CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000418596002 513571411 /nfs/dbraw/zinc/57/14/11/513571411.db2.gz BAHUDYDYWPGYIC-UHFFFAOYSA-N 1 3 356.514 2.602 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000418609717 513576631 /nfs/dbraw/zinc/57/66/31/513576631.db2.gz SPFKHDOEOOLDTC-YOEHRIQHSA-N 1 3 352.910 2.554 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000418642544 513587882 /nfs/dbraw/zinc/58/78/82/513587882.db2.gz ASNOUAJVNVQYQP-QUCCMNQESA-N 1 3 358.530 2.622 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000418643020 513588128 /nfs/dbraw/zinc/58/81/28/513588128.db2.gz AXLDOCUUHBWSFZ-PMACEKPBSA-N 1 3 372.488 2.990 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418667533 513603055 /nfs/dbraw/zinc/60/30/55/513603055.db2.gz MYBHXPONCUNHIC-QAQDUYKDSA-N 1 3 364.509 2.664 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN(C2CCC2)C1 ZINC000418680346 513610397 /nfs/dbraw/zinc/61/03/97/513610397.db2.gz UPCUXLKRGIVICT-XLIONFOSSA-N 1 3 358.530 2.982 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418718545 513622558 /nfs/dbraw/zinc/62/25/58/513622558.db2.gz KGWZVHYPFGEJRV-YOEHRIQHSA-N 1 3 368.472 2.556 20 0 FFADHO CN1C[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000416184932 513631094 /nfs/dbraw/zinc/63/10/94/513631094.db2.gz RGAADQATQLRAOB-ACRUOGEOSA-N 1 3 351.494 2.893 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425578930 513648874 /nfs/dbraw/zinc/64/88/74/513648874.db2.gz ZQHSWGBQTWSKFZ-PCCBWWKXSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425578930 513648879 /nfs/dbraw/zinc/64/88/79/513648879.db2.gz ZQHSWGBQTWSKFZ-PCCBWWKXSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418796009 513660724 /nfs/dbraw/zinc/66/07/24/513660724.db2.gz RBEMSNSNTUMUBF-QHAWAJNXSA-N 1 3 372.557 2.581 20 0 FFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000416238197 513667154 /nfs/dbraw/zinc/66/71/54/513667154.db2.gz HIKUUVGWRVOHRZ-WFXMLNOXSA-N 1 3 355.526 2.624 20 0 FFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CCN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000416238197 513667161 /nfs/dbraw/zinc/66/71/61/513667161.db2.gz HIKUUVGWRVOHRZ-WFXMLNOXSA-N 1 3 355.526 2.624 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000425692691 513704881 /nfs/dbraw/zinc/70/48/81/513704881.db2.gz QDBAHCPCTBMNSL-ZIBCJSCZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000425692691 513704886 /nfs/dbraw/zinc/70/48/86/513704886.db2.gz QDBAHCPCTBMNSL-ZIBCJSCZSA-N 1 3 370.541 2.775 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416331600 513715516 /nfs/dbraw/zinc/71/55/16/513715516.db2.gz CQWROXXHVSXBGO-AWEZNQCLSA-N 1 3 351.491 2.741 20 0 FFADHO C[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000430677605 513719967 /nfs/dbraw/zinc/71/99/67/513719967.db2.gz GPYDEWLRLAQLCT-HRAATJIYSA-N 1 3 367.493 2.918 20 0 FFADHO CN(C)Cc1cccc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000448451942 513760589 /nfs/dbraw/zinc/76/05/89/513760589.db2.gz IEBHIORFMLQLAH-LJQANCHMSA-N 1 3 367.497 2.536 20 0 FFADHO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000419395025 513796331 /nfs/dbraw/zinc/79/63/31/513796331.db2.gz TUAOJOMDMRDUTA-FQEVSTJZSA-N 1 3 360.546 2.649 20 0 FFADHO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000419395025 513796338 /nfs/dbraw/zinc/79/63/38/513796338.db2.gz TUAOJOMDMRDUTA-FQEVSTJZSA-N 1 3 360.546 2.649 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000436279151 513815981 /nfs/dbraw/zinc/81/59/81/513815981.db2.gz AMYYBKDFTSNVAZ-JWUVWSEFSA-N 1 3 355.526 2.888 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000443056513 513855997 /nfs/dbraw/zinc/85/59/97/513855997.db2.gz CTANYIWWCBAVJB-XJKSGUPXSA-N 1 3 355.404 2.872 20 0 FFADHO C[C@H]1CN(CCC2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000436483032 513867999 /nfs/dbraw/zinc/86/79/99/513867999.db2.gz CJBPXIIIGVOULG-IPJJNNNSSA-N 1 3 360.542 2.801 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)[C@H](C)C1 ZINC000426341700 513908255 /nfs/dbraw/zinc/90/82/55/513908255.db2.gz FDDNKQQUXMJFHX-XLIONFOSSA-N 1 3 371.525 2.765 20 0 FFADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CC1(C)C ZINC000416701126 513915727 /nfs/dbraw/zinc/91/57/27/513915727.db2.gz YOFXDFHPGQHYOK-ROUUACIJSA-N 1 3 350.551 2.669 20 0 FFADHO c1cc2c(s1)CCN(CCN[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422740981 513919182 /nfs/dbraw/zinc/91/91/82/513919182.db2.gz ONUXXUKDHADTTI-WIYYLYMNSA-N 1 3 369.534 2.952 20 0 FFADHO COc1cccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422768620 513927811 /nfs/dbraw/zinc/92/78/11/513927811.db2.gz UGUHBRFMNMTBKA-CBPXPLCBSA-N 1 3 373.541 2.579 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000422777733 513928283 /nfs/dbraw/zinc/92/82/83/513928283.db2.gz GINIJNJPIBWXMN-YTQUADARSA-N 1 3 360.498 2.818 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000422802897 513937642 /nfs/dbraw/zinc/93/76/42/513937642.db2.gz HVKHDIMVDGBLCZ-HRAATJIYSA-N 1 3 354.498 2.573 20 0 FFADHO [NH3+][C@@H]1C[C@@H](NCCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422814465 513940748 /nfs/dbraw/zinc/94/07/48/513940748.db2.gz UYWNWNOCKRLQFU-FGZHOGPDSA-N 1 3 350.510 2.933 20 0 FFADHO N[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422814465 513940756 /nfs/dbraw/zinc/94/07/56/513940756.db2.gz UYWNWNOCKRLQFU-FGZHOGPDSA-N 1 3 350.510 2.933 20 0 FFADHO COc1cc(C[C@H](CO)CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc(OC)c1 ZINC000422825252 513944279 /nfs/dbraw/zinc/94/42/79/513944279.db2.gz PPGPGXXATCFEPR-NEWSRXKRSA-N 1 3 364.530 2.755 20 0 FFADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422877225 513961145 /nfs/dbraw/zinc/96/11/45/513961145.db2.gz HKWWTZZIFNAPLQ-VQIMIIECSA-N 1 3 365.949 2.909 20 0 FFADHO CCN1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422889848 513966858 /nfs/dbraw/zinc/96/68/58/513966858.db2.gz GZZNWDSGEGZFFT-DNVJHFABSA-N 1 3 370.585 2.834 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000431684496 513967408 /nfs/dbraw/zinc/96/74/08/513967408.db2.gz FZUCKNZXYGMKHU-JENIJYKNSA-N 1 3 370.607 2.624 20 0 FFADHO N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894865 513968136 /nfs/dbraw/zinc/96/81/36/513968136.db2.gz USBKCXCGSHEOHM-SJORKVTESA-N 1 3 352.320 2.883 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894865 513968140 /nfs/dbraw/zinc/96/81/40/513968140.db2.gz USBKCXCGSHEOHM-SJORKVTESA-N 1 3 352.320 2.883 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000416805171 513974415 /nfs/dbraw/zinc/97/44/15/513974415.db2.gz KSJSUJMVZNSXEN-RUDPJTKLSA-N 1 3 370.541 2.742 20 0 FFADHO CCOc1ccc([C@H](C)NC(=O)CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422929422 513979256 /nfs/dbraw/zinc/97/92/56/513979256.db2.gz PYEWIKLPNZGPRW-UBLGTCEWSA-N 1 3 359.514 2.915 20 0 FFADHO FC(F)(F)Oc1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422930378 513980055 /nfs/dbraw/zinc/98/00/55/513980055.db2.gz TYEGXHSAJBEKRW-BZUAXINKSA-N 1 3 358.404 2.874 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2COc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000422930383 513980251 /nfs/dbraw/zinc/98/02/51/513980251.db2.gz TZPWWIBINXFFNX-DOMZBBRYSA-N 1 3 352.862 2.685 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cnccc1N ZINC000422945786 513986594 /nfs/dbraw/zinc/98/65/94/513986594.db2.gz NWNGGLIQFDHZHO-SFHVURJKSA-N 1 3 353.514 2.747 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000416830863 513988966 /nfs/dbraw/zinc/98/89/66/513988966.db2.gz UUIUDQNCKBZJNZ-PKOBYXMFSA-N 1 3 362.518 2.505 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422955150 513990472 /nfs/dbraw/zinc/99/04/72/513990472.db2.gz ITJWZEJMTBAUSV-ZFWWWQNUSA-N 1 3 358.873 2.958 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416837023 513991920 /nfs/dbraw/zinc/99/19/20/513991920.db2.gz HHGWFTVPZRFHIV-LPHOPBHVSA-N 1 3 362.543 2.670 20 0 FFADHO CCc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414179198 513997960 /nfs/dbraw/zinc/99/79/60/513997960.db2.gz AAIJTANBQMKVCR-INIZCTEOSA-N 1 3 351.560 2.758 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000416843642 513999031 /nfs/dbraw/zinc/99/90/31/513999031.db2.gz PBOPSSKALRHARK-CVEARBPZSA-N 1 3 350.532 2.655 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)N(C)C)cc1 ZINC000416847704 514000441 /nfs/dbraw/zinc/00/04/41/514000441.db2.gz VYANWKXPPZZWHC-RTWAWAEBSA-N 1 3 372.557 2.883 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)(N2CCOCC2)CC1 ZINC000414185841 514002829 /nfs/dbraw/zinc/00/28/29/514002829.db2.gz HHENZEOOSGMBEE-SFTDATJTSA-N 1 3 357.542 2.709 20 0 FFADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195071 514006360 /nfs/dbraw/zinc/00/63/60/514006360.db2.gz NPBPMVVNHVVQGM-SFHVURJKSA-N 1 3 371.525 2.750 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N2CCCC2)c1 ZINC000416856009 514006492 /nfs/dbraw/zinc/00/64/92/514006492.db2.gz QOQLASOIECYFHA-CTNGQTDRSA-N 1 3 374.529 2.521 20 0 FFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040443 514015531 /nfs/dbraw/zinc/01/55/31/514015531.db2.gz HBMHIOPRYHGZKJ-LLBUTXAOSA-N 1 3 367.896 2.805 20 0 FFADHO Cc1cc(N2CC[C@@H](N[C@H](C)CCC[NH3+])C2=O)ccc1Br ZINC000423047929 514018251 /nfs/dbraw/zinc/01/82/51/514018251.db2.gz HSZUTXFTJFSHDJ-IUODEOHRSA-N 1 3 354.292 2.580 20 0 FFADHO CN(Cc1ccccc1)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423063941 514024594 /nfs/dbraw/zinc/02/45/94/514024594.db2.gz QBZIHGGNWUIRRN-DXBBTUNJSA-N 1 3 357.542 2.644 20 0 FFADHO OC[C@H](Cc1ccc(F)cc1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423078045 514030327 /nfs/dbraw/zinc/03/03/27/514030327.db2.gz NNAQRPPEGDCBTG-HFSMHLIXSA-N 1 3 356.441 2.575 20 0 FFADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000423080909 514032021 /nfs/dbraw/zinc/03/20/21/514032021.db2.gz TZYBGUQLJGDAKN-ARFHVFGLSA-N 1 3 373.419 2.616 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423112354 514045145 /nfs/dbraw/zinc/04/51/45/514045145.db2.gz JVPJHVDPURGHKO-UWHLTILDSA-N 1 3 355.526 2.730 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1(C)C ZINC000414322859 514047310 /nfs/dbraw/zinc/04/73/10/514047310.db2.gz HQRBRBDUWUMVOS-UXHICEINSA-N 1 3 373.541 2.677 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1ccc(I)cc1 ZINC000423114699 514047781 /nfs/dbraw/zinc/04/77/81/514047781.db2.gz MDVXONLTWABLMD-SWLSCSKDSA-N 1 3 374.266 2.777 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000423114699 514047786 /nfs/dbraw/zinc/04/77/86/514047786.db2.gz MDVXONLTWABLMD-SWLSCSKDSA-N 1 3 374.266 2.777 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000423116220 514048851 /nfs/dbraw/zinc/04/88/51/514048851.db2.gz ZYRZJBBNNIJYNW-LJISPDSOSA-N 1 3 367.563 2.964 20 0 FFADHO COC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000414338898 514054404 /nfs/dbraw/zinc/05/44/04/514054404.db2.gz KYLALVLXJHKFGB-NRFANRHFSA-N 1 3 373.541 2.679 20 0 FFADHO CCS(=O)(=O)CCC[NH2+]C1CCC(N(C)Cc2ccccc2)CC1 ZINC000414345958 514057352 /nfs/dbraw/zinc/05/73/52/514057352.db2.gz URHBJOQZXCJQFH-UHFFFAOYSA-N 1 3 352.544 2.844 20 0 FFADHO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1OC ZINC000423141325 514057745 /nfs/dbraw/zinc/05/77/45/514057745.db2.gz PIZCFCPHQYCIJV-WFXMLNOXSA-N 1 3 356.466 2.732 20 0 FFADHO Clc1cccc(-n2ccnc2)c1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423148582 514060610 /nfs/dbraw/zinc/06/06/10/514060610.db2.gz WAOHOUJSGPKETF-OLMNPRSZSA-N 1 3 360.889 2.772 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cccc(C(F)(F)F)n2)CC[NH2+]CC1 ZINC000423158296 514064873 /nfs/dbraw/zinc/06/48/73/514064873.db2.gz NVNVVDSNXHCBIR-GFCCVEGCSA-N 1 3 359.392 2.511 20 0 FFADHO C[C@@H](C[NH3+])CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416956855 514066478 /nfs/dbraw/zinc/06/64/78/514066478.db2.gz KHAFCNHDPMJAQV-INIZCTEOSA-N 1 3 354.498 2.809 20 0 FFADHO COc1ccc(-n2cc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)cn2)cc1 ZINC000449100195 514071954 /nfs/dbraw/zinc/07/19/54/514071954.db2.gz BEBOHVODDIDJGL-HDICACEKSA-N 1 3 372.513 2.860 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000420295509 514075999 /nfs/dbraw/zinc/07/59/99/514075999.db2.gz PJBBZXGWLXWBMC-SFHVURJKSA-N 1 3 353.466 2.766 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000420298834 514077991 /nfs/dbraw/zinc/07/79/91/514077991.db2.gz HZANSRQFQQZRGO-LPHOPBHVSA-N 1 3 361.530 2.610 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000416973993 514080348 /nfs/dbraw/zinc/08/03/48/514080348.db2.gz KLAIUNDJEUPGGG-FGTMMUONSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000416973993 514080355 /nfs/dbraw/zinc/08/03/55/514080355.db2.gz KLAIUNDJEUPGGG-FGTMMUONSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H](CN1CCN(C)CC1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449121816 514081999 /nfs/dbraw/zinc/08/19/99/514081999.db2.gz JAFLQRRWQIUUJD-SFHVURJKSA-N 1 3 352.611 2.891 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@@H](C)CN1 ZINC000416977985 514086157 /nfs/dbraw/zinc/08/61/57/514086157.db2.gz QNDXEDJJKKKKKM-KURKYZTESA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@@H](C)CN1 ZINC000416977985 514086164 /nfs/dbraw/zinc/08/61/64/514086164.db2.gz QNDXEDJJKKKKKM-KURKYZTESA-N 1 3 358.530 2.953 20 0 FFADHO Brc1ccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000420313682 514088426 /nfs/dbraw/zinc/08/84/26/514088426.db2.gz YJVPKIDHZKMYGW-CYBMUJFWSA-N 1 3 358.349 2.628 20 0 FFADHO O=C(NC[C@@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1)[C@H]1CCC[NH2+]1 ZINC000420318366 514090731 /nfs/dbraw/zinc/09/07/31/514090731.db2.gz NZFAEEUYSQERHZ-GDIGMMSISA-N 1 3 361.917 2.908 20 0 FFADHO Cc1ccc(SCCNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420330117 514097084 /nfs/dbraw/zinc/09/70/84/514097084.db2.gz ABYGPXLKKRYMHK-ZWKOTPCHSA-N 1 3 361.555 2.525 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420336082 514099244 /nfs/dbraw/zinc/09/92/44/514099244.db2.gz QEKVSFCXGXUMPY-SJORKVTESA-N 1 3 358.404 2.912 20 0 FFADHO CC(C)[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420341131 514101066 /nfs/dbraw/zinc/10/10/66/514101066.db2.gz NTPRSKMQPFPZME-LQWHRVPQSA-N 1 3 361.505 2.961 20 0 FFADHO CC(C)c1ccc(CCNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344951 514104127 /nfs/dbraw/zinc/10/41/27/514104127.db2.gz VEJXFZJZWIKRGM-LEWJYISDSA-N 1 3 357.542 2.790 20 0 FFADHO CC[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417003944 514110169 /nfs/dbraw/zinc/11/01/69/514110169.db2.gz CCERVKQBUQTMOG-YLJYHZDGSA-N 1 3 358.530 2.512 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000417005579 514111062 /nfs/dbraw/zinc/11/10/62/514111062.db2.gz DPFBHOZBLMDSEP-MKXGPGLRSA-N 1 3 350.551 2.671 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417009016 514112997 /nfs/dbraw/zinc/11/29/97/514112997.db2.gz JRSZKDTXAVYVLR-PWIZWCRZSA-N 1 3 358.530 2.592 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccsc1 ZINC000417012003 514115840 /nfs/dbraw/zinc/11/58/40/514115840.db2.gz UVIWJQBSTBZCGN-HYVNUMGLSA-N 1 3 350.532 2.524 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCCc3nc(-c4ccccc4)no3)CC2)C1 ZINC000420380672 514117060 /nfs/dbraw/zinc/11/70/60/514117060.db2.gz BZNOXCDKMDXGRG-MOPGFXCFSA-N 1 3 370.497 2.888 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC2)cc1 ZINC000423358020 514117282 /nfs/dbraw/zinc/11/72/82/514117282.db2.gz MZYCITOJIPZCHL-JXFKEZNVSA-N 1 3 361.530 2.643 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccsc1 ZINC000417012941 514118447 /nfs/dbraw/zinc/11/84/47/514118447.db2.gz YCFDAKJVDLTUEX-HLLBOEOZSA-N 1 3 352.548 2.900 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccsc1 ZINC000417013505 514119230 /nfs/dbraw/zinc/11/92/30/514119230.db2.gz YPBRVBRPJXLPDB-BHYGNILZSA-N 1 3 352.548 2.948 20 0 FFADHO FC(F)(F)[C@H](CN[C@@H](C[C@H]1CCOC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000423381778 514123734 /nfs/dbraw/zinc/12/37/34/514123734.db2.gz IJALCZUKGJGICD-NJAFHUGGSA-N 1 3 371.447 2.580 20 0 FFADHO Cc1cc2c(cc1C)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423401950 514129949 /nfs/dbraw/zinc/12/99/49/514129949.db2.gz XVDNOJDBQGXHMG-AEFFLSMTSA-N 1 3 371.447 2.943 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417037096 514135283 /nfs/dbraw/zinc/13/52/83/514135283.db2.gz TZEPHYHWNQKPFJ-CTNGQTDRSA-N 1 3 356.514 2.609 20 0 FFADHO OC1(CNCc2ccc(-c3cc[nH]n3)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000414529655 514165817 /nfs/dbraw/zinc/16/58/17/514165817.db2.gz WBNSATHIMNNPQD-UHFFFAOYSA-N 1 3 366.465 2.786 20 0 FFADHO CC1(C)CN(C2(CNC(=O)C[C@H]3CCC[NH2+]CC3)CCCCC2)CCO1 ZINC000427273458 514169982 /nfs/dbraw/zinc/16/99/82/514169982.db2.gz MEXPJBZSCBYLJA-SFHVURJKSA-N 1 3 365.562 2.696 20 0 FFADHO O=C(CCC1CC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423739569 514215097 /nfs/dbraw/zinc/21/50/97/514215097.db2.gz GAUPZYNOCVGHLD-UHFFFAOYSA-N 1 3 357.542 2.933 20 0 FFADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449464797 514220345 /nfs/dbraw/zinc/22/03/45/514220345.db2.gz ZLBFMJDXGNIQLX-QMCAAQAGSA-N 1 3 358.526 2.928 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423788529 514229266 /nfs/dbraw/zinc/22/92/66/514229266.db2.gz XWVPVLQCLCVJNE-HTAPYJJXSA-N 1 3 363.505 2.625 20 0 FFADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414675208 514236725 /nfs/dbraw/zinc/23/67/25/514236725.db2.gz LSIIXXXBQJWRBR-KBPBESRZSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414675208 514236735 /nfs/dbraw/zinc/23/67/35/514236735.db2.gz LSIIXXXBQJWRBR-KBPBESRZSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676123 514236990 /nfs/dbraw/zinc/23/69/90/514236990.db2.gz MXMVNTOREUXELO-ZIAGYGMSSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676123 514236998 /nfs/dbraw/zinc/23/69/98/514236998.db2.gz MXMVNTOREUXELO-ZIAGYGMSSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(F)cc1 ZINC000437791927 514238077 /nfs/dbraw/zinc/23/80/77/514238077.db2.gz IGHGAGGIDOOOCY-UWJYYQICSA-N 1 3 371.500 2.808 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417218600 514239745 /nfs/dbraw/zinc/23/97/45/514239745.db2.gz HFJNASACIGUJMZ-FIBJEGPVSA-N 1 3 356.514 2.746 20 0 FFADHO [NH3+]CC(=O)N1CCC[C@@H](CNC2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000414713757 514252804 /nfs/dbraw/zinc/25/28/04/514252804.db2.gz UIEIPAMDNDRDGM-LBPRGKRZSA-N 1 3 356.297 2.769 20 0 FFADHO CC1CC[NH+](CCc2cccc(NC(=O)C[C@H]3CSCCN3)c2)CC1 ZINC000423835862 514255938 /nfs/dbraw/zinc/25/59/38/514255938.db2.gz DZTJVTKDYCDTBR-IBGZPJMESA-N 1 3 361.555 2.995 20 0 FFADHO Cc1cccc2nc(C3CC[NH+](C[C@@H]4CCCN(C(=O)CN)C4)CC3)oc21 ZINC000414731275 514262358 /nfs/dbraw/zinc/26/23/58/514262358.db2.gz AJINREORUSLSBX-INIZCTEOSA-N 1 3 370.497 2.513 20 0 FFADHO CCO[C@H](C)c1nc(CN2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cs1 ZINC000414741927 514267611 /nfs/dbraw/zinc/26/76/11/514267611.db2.gz LIBMFKHPRKVDKK-BRWVUGGUSA-N 1 3 366.575 2.746 20 0 FFADHO C[C@H]1C[C@H](CN(CCO)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414754546 514275047 /nfs/dbraw/zinc/27/50/47/514275047.db2.gz XZMBEQVKYDIGLD-QWHCGFSZSA-N 1 3 359.283 2.771 20 0 FFADHO CC1(c2cccc(Cl)c2)CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414770435 514284230 /nfs/dbraw/zinc/28/42/30/514284230.db2.gz XYACNDRCGZZCMR-MRXNPFEDSA-N 1 3 363.933 2.891 20 0 FFADHO [NH3+]C[C@@H]1CN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC12CCOCC2 ZINC000414774704 514285992 /nfs/dbraw/zinc/28/59/92/514285992.db2.gz FTMGLSOXCYIZLZ-MRXNPFEDSA-N 1 3 360.889 2.917 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417319927 514293559 /nfs/dbraw/zinc/29/35/59/514293559.db2.gz OOODBHTZGPDKMN-HWPVKAJDSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414793504 514296549 /nfs/dbraw/zinc/29/65/49/514296549.db2.gz DNBOZTWVGIDARC-JTDSTZFVSA-N 1 3 357.498 2.949 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)c(OC)c1 ZINC000414832954 514315924 /nfs/dbraw/zinc/31/59/24/514315924.db2.gz FKHXXIBLQUZAHV-KSSFIOAISA-N 1 3 363.502 2.918 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414841609 514320073 /nfs/dbraw/zinc/32/00/73/514320073.db2.gz NOCRCTCMXIALIP-KSSFIOAISA-N 1 3 361.486 2.688 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417387861 514326458 /nfs/dbraw/zinc/32/64/58/514326458.db2.gz VFAIQMGYAFAVSJ-UHFFFAOYSA-N 1 3 352.548 2.586 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NCC1CCN(Cc2cccs2)CC1 ZINC000417390692 514329039 /nfs/dbraw/zinc/32/90/39/514329039.db2.gz ZHFDRIAWDANSFN-MRXNPFEDSA-N 1 3 364.559 2.649 20 0 FFADHO C[C@@H](Cc1ccccc1F)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000438219528 514332992 /nfs/dbraw/zinc/33/29/92/514332992.db2.gz MKWIBOHFMFYZHT-SFHVURJKSA-N 1 3 356.489 2.954 20 0 FFADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@]1(C)CCCNC1 ZINC000414902231 514349394 /nfs/dbraw/zinc/34/93/94/514349394.db2.gz GZEPMFVILGSWCC-HRAATJIYSA-N 1 3 357.498 2.821 20 0 FFADHO COc1cc(Br)c(CNCC2(C)CC[NH2+]CC2)c(OC)c1 ZINC000414915242 514355815 /nfs/dbraw/zinc/35/58/15/514355815.db2.gz ZJWCKUSJVBWFMJ-UHFFFAOYSA-N 1 3 357.292 2.946 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000420897162 514361031 /nfs/dbraw/zinc/36/10/31/514361031.db2.gz APQDKETXHDOQEX-UHFFFAOYSA-N 1 3 357.542 2.827 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414932168 514361307 /nfs/dbraw/zinc/36/13/07/514361307.db2.gz CIZHTKJQIJJJIG-YWPYICTPSA-N 1 3 359.392 2.890 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414932168 514361310 /nfs/dbraw/zinc/36/13/10/514361310.db2.gz CIZHTKJQIJJJIG-YWPYICTPSA-N 1 3 359.392 2.890 20 0 FFADHO C[C@@]1(Cc2ccc(F)cc2)CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000420929490 514384138 /nfs/dbraw/zinc/38/41/38/514384138.db2.gz QNECRVDOARRGBU-QFIPXVFZSA-N 1 3 373.516 2.966 20 0 FFADHO N[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000417507606 514386633 /nfs/dbraw/zinc/38/66/33/514386633.db2.gz RYRKYYWEYKDEGP-PZJWPPBQSA-N 1 3 366.509 2.550 20 0 FFADHO N[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000417507606 514386639 /nfs/dbraw/zinc/38/66/39/514386639.db2.gz RYRKYYWEYKDEGP-PZJWPPBQSA-N 1 3 366.509 2.550 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(=O)OC)s3)CC2)CC1 ZINC000420984427 514424022 /nfs/dbraw/zinc/42/40/22/514424022.db2.gz TUZOKRXFQBLMGF-UHFFFAOYSA-N 1 3 365.543 2.527 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(=O)OC)s3)CC2)CC1 ZINC000420984427 514424023 /nfs/dbraw/zinc/42/40/23/514424023.db2.gz TUZOKRXFQBLMGF-UHFFFAOYSA-N 1 3 365.543 2.527 20 0 FFADHO COCCCOc1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415101331 514443770 /nfs/dbraw/zinc/44/37/70/514443770.db2.gz BCRHGUHMJAMXAU-NHCUHLMSSA-N 1 3 362.514 2.820 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445223164 514445568 /nfs/dbraw/zinc/44/55/68/514445568.db2.gz LQKYWQXYOMNPCV-SFHVURJKSA-N 1 3 352.567 2.776 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445223164 514445575 /nfs/dbraw/zinc/44/55/75/514445575.db2.gz LQKYWQXYOMNPCV-SFHVURJKSA-N 1 3 352.567 2.776 20 0 FFADHO COc1ccc(CN(C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424283809 514446900 /nfs/dbraw/zinc/44/69/00/514446900.db2.gz CGAJKNQDRGPYFU-KRWDZBQOSA-N 1 3 371.525 2.650 20 0 FFADHO COc1ccccc1[C@@H](C)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424294433 514448751 /nfs/dbraw/zinc/44/87/51/514448751.db2.gz QJGLITARIIDNQV-IAGOWNOFSA-N 1 3 359.514 2.679 20 0 FFADHO CC(C)(C)n1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000415127350 514455567 /nfs/dbraw/zinc/45/55/67/514455567.db2.gz HUEWDJNRKZSGQX-UHFFFAOYSA-N 1 3 355.530 2.721 20 0 FFADHO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c2ccccc12 ZINC000415134258 514460591 /nfs/dbraw/zinc/46/05/91/514460591.db2.gz VVHMROILDAFAQB-QGZVFWFLSA-N 1 3 351.454 2.736 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000433376752 514477278 /nfs/dbraw/zinc/47/72/78/514477278.db2.gz KNLPYXGVABWVEU-GGPKGHCWSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000433376752 514477279 /nfs/dbraw/zinc/47/72/79/514477279.db2.gz KNLPYXGVABWVEU-GGPKGHCWSA-N 1 3 365.562 2.789 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000439227539 514510245 /nfs/dbraw/zinc/51/02/45/514510245.db2.gz UGGQRXQPWDHBAD-XSYGEPLQSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433570003 514517959 /nfs/dbraw/zinc/51/79/59/514517959.db2.gz UMHNYTFIFMYLOS-MJGOQNOKSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433570003 514517961 /nfs/dbraw/zinc/51/79/61/514517961.db2.gz UMHNYTFIFMYLOS-MJGOQNOKSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466036267 514544926 /nfs/dbraw/zinc/54/49/26/514544926.db2.gz OUBNRZLUMXCNTK-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466036267 514544932 /nfs/dbraw/zinc/54/49/32/514544932.db2.gz OUBNRZLUMXCNTK-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466035698 514545144 /nfs/dbraw/zinc/54/51/44/514545144.db2.gz NSQYKWSBQQPCRX-NSHGMRRFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466035698 514545145 /nfs/dbraw/zinc/54/51/45/514545145.db2.gz NSQYKWSBQQPCRX-NSHGMRRFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@@H+]1C ZINC000466054811 514550955 /nfs/dbraw/zinc/55/09/55/514550955.db2.gz XUTIJXUHFDGZJR-RHSMWYFYSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@H+]1C ZINC000466054811 514550961 /nfs/dbraw/zinc/55/09/61/514550961.db2.gz XUTIJXUHFDGZJR-RHSMWYFYSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466140503 514565548 /nfs/dbraw/zinc/56/55/48/514565548.db2.gz MGQFPRXZWZWNJT-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466140503 514565556 /nfs/dbraw/zinc/56/55/56/514565556.db2.gz MGQFPRXZWZWNJT-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(C)C ZINC000453274756 514585438 /nfs/dbraw/zinc/58/54/38/514585438.db2.gz DEARMKOPTUBCHH-BURNTYAHSA-N 1 3 357.542 2.990 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NCCN3C[C@H]4CC[C@@H](C3)O4)[C@H]3CCC[C@@H]32)cc1 ZINC000453323721 514601023 /nfs/dbraw/zinc/60/10/23/514601023.db2.gz BICIOWYCLNIPKW-LILXYRQWSA-N 1 3 369.553 2.882 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NCCN3C[C@H]4CC[C@@H](C3)O4)[C@H]3CCC[C@@H]32)cc1 ZINC000453323721 514601035 /nfs/dbraw/zinc/60/10/35/514601035.db2.gz BICIOWYCLNIPKW-LILXYRQWSA-N 1 3 369.553 2.882 20 0 FFADHO C[C@H]1[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCCN1C ZINC000466319248 514609092 /nfs/dbraw/zinc/60/90/92/514609092.db2.gz TYJVVSWNXGTEQZ-ZJDLJICXSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]1[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCCN1C ZINC000466319248 514609105 /nfs/dbraw/zinc/60/91/05/514609105.db2.gz TYJVVSWNXGTEQZ-ZJDLJICXSA-N 1 3 355.526 2.888 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453375143 514615067 /nfs/dbraw/zinc/61/50/67/514615067.db2.gz ZVJYKTRIMWXYLB-LHGONGGSSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453375143 514615069 /nfs/dbraw/zinc/61/50/69/514615069.db2.gz ZVJYKTRIMWXYLB-LHGONGGSSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453375143 514615070 /nfs/dbraw/zinc/61/50/70/514615070.db2.gz ZVJYKTRIMWXYLB-LHGONGGSSA-N 1 3 369.553 2.740 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000466446762 514649141 /nfs/dbraw/zinc/64/91/41/514649141.db2.gz SLKAEGCXNHQCFN-DYESRHJHSA-N 1 3 370.541 2.954 20 0 FFADHO O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@H]2CCCCN12 ZINC000453456061 514650558 /nfs/dbraw/zinc/65/05/58/514650558.db2.gz VAEPIDHMLHGNGF-YMQHIKHWSA-N 1 3 353.510 2.640 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)c2nccn2c1 ZINC000455640561 514651712 /nfs/dbraw/zinc/65/17/12/514651712.db2.gz JPIGKSMQIIVBGB-SFHVURJKSA-N 1 3 372.517 2.523 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)c2nccn2c1 ZINC000455640561 514651720 /nfs/dbraw/zinc/65/17/20/514651720.db2.gz JPIGKSMQIIVBGB-SFHVURJKSA-N 1 3 372.517 2.523 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000484446354 514656291 /nfs/dbraw/zinc/65/62/91/514656291.db2.gz YQYREBRPHKFTBM-VQIMIIECSA-N 1 3 364.509 2.850 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466500159 514665758 /nfs/dbraw/zinc/66/57/58/514665758.db2.gz QKKSWTLTRYEBLK-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466500159 514665770 /nfs/dbraw/zinc/66/57/70/514665770.db2.gz QKKSWTLTRYEBLK-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000461612808 514666447 /nfs/dbraw/zinc/66/64/47/514666447.db2.gz XMCNOTRXZJOATO-GOSISDBHSA-N 1 3 360.546 2.679 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000461612808 514666458 /nfs/dbraw/zinc/66/64/58/514666458.db2.gz XMCNOTRXZJOATO-GOSISDBHSA-N 1 3 360.546 2.679 20 0 FFADHO CCO[C@@H](C)c1nc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cs1 ZINC000479685162 514687608 /nfs/dbraw/zinc/68/76/08/514687608.db2.gz JLEYVEPFSACMRH-INIZCTEOSA-N 1 3 366.575 2.748 20 0 FFADHO C[C@H](CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000489055031 514688225 /nfs/dbraw/zinc/68/82/25/514688225.db2.gz QSDMVPUDOXLXJB-UTKZUKDTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000489055031 514688235 /nfs/dbraw/zinc/68/82/35/514688235.db2.gz QSDMVPUDOXLXJB-UTKZUKDTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000489066754 514692055 /nfs/dbraw/zinc/69/20/55/514692055.db2.gz CWDSKTPCYVBILZ-AVRDEDQJSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000489066754 514692067 /nfs/dbraw/zinc/69/20/67/514692067.db2.gz CWDSKTPCYVBILZ-AVRDEDQJSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000466679016 514726135 /nfs/dbraw/zinc/72/61/35/514726135.db2.gz BAASAFFZFRNJIR-BGYRXZFFSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000466679016 514726140 /nfs/dbraw/zinc/72/61/40/514726140.db2.gz BAASAFFZFRNJIR-BGYRXZFFSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000489329563 514800846 /nfs/dbraw/zinc/80/08/46/514800846.db2.gz VNASZJBASCNWRK-PMXSJFBMSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000489329563 514800853 /nfs/dbraw/zinc/80/08/53/514800853.db2.gz VNASZJBASCNWRK-PMXSJFBMSA-N 1 3 370.541 2.823 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1 ZINC000498199434 514800921 /nfs/dbraw/zinc/80/09/21/514800921.db2.gz XVRWOWPQIXPQQQ-IRFCIJBXSA-N 1 3 361.530 2.720 20 0 FFADHO CN1CCC[C@H](C[N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000508542721 514815860 /nfs/dbraw/zinc/81/58/60/514815860.db2.gz QVDXVTDFLBEWNQ-LBPRGKRZSA-N 1 3 355.276 2.951 20 0 FFADHO CN1CCC[C@H](C[N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000508542721 514815867 /nfs/dbraw/zinc/81/58/67/514815867.db2.gz QVDXVTDFLBEWNQ-LBPRGKRZSA-N 1 3 355.276 2.951 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)CC1 ZINC000461988659 514819657 /nfs/dbraw/zinc/81/96/57/514819657.db2.gz NCZJEIUSKBOOMV-UHFFFAOYSA-N 1 3 372.557 2.667 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000462013798 514833096 /nfs/dbraw/zinc/83/30/96/514833096.db2.gz LNBUADJPVLRVNU-QAPCUYQASA-N 1 3 352.498 2.848 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000462013798 514833101 /nfs/dbraw/zinc/83/31/01/514833101.db2.gz LNBUADJPVLRVNU-QAPCUYQASA-N 1 3 352.498 2.848 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000466935255 514834355 /nfs/dbraw/zinc/83/43/55/514834355.db2.gz UBBPFZXDJDXQSC-PXNSSMCTSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000466935255 514834366 /nfs/dbraw/zinc/83/43/66/514834366.db2.gz UBBPFZXDJDXQSC-PXNSSMCTSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC[N@@H+]1C ZINC000489543395 514889271 /nfs/dbraw/zinc/88/92/71/514889271.db2.gz GQOCHMPMMRWPEE-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC[N@H+]1C ZINC000489543395 514889284 /nfs/dbraw/zinc/88/92/84/514889284.db2.gz GQOCHMPMMRWPEE-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CN1Cc1ccccc1 ZINC000458561552 514902619 /nfs/dbraw/zinc/90/26/19/514902619.db2.gz RAHDEOMGSPHDCO-SYYKKAFVSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CN1Cc1ccccc1 ZINC000458561552 514902621 /nfs/dbraw/zinc/90/26/21/514902621.db2.gz RAHDEOMGSPHDCO-SYYKKAFVSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@H]1c1ccccc1 ZINC000458566646 514907457 /nfs/dbraw/zinc/90/74/57/514907457.db2.gz BYUHPDRAKHNWMU-SBHAEUEKSA-N 1 3 356.514 2.559 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[C@H]1c1ccccc1 ZINC000458566646 514907466 /nfs/dbraw/zinc/90/74/66/514907466.db2.gz BYUHPDRAKHNWMU-SBHAEUEKSA-N 1 3 356.514 2.559 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462192459 514932202 /nfs/dbraw/zinc/93/22/02/514932202.db2.gz BXWMYVUNDLXYJW-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462192459 514932209 /nfs/dbraw/zinc/93/22/09/514932209.db2.gz BXWMYVUNDLXYJW-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO COCC[NH+]1CCC(NC[C@H](OC(C)C)c2ccccc2OC)CC1 ZINC000471584285 514940729 /nfs/dbraw/zinc/94/07/29/514940729.db2.gz FZYLATUGZCSBFU-FQEVSTJZSA-N 1 3 350.503 2.862 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000485281472 514983244 /nfs/dbraw/zinc/98/32/44/514983244.db2.gz BZMPEPYLXJESQE-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000471824972 515022583 /nfs/dbraw/zinc/02/25/83/515022583.db2.gz JBGRMJMNMLCSQV-FQEVSTJZSA-N 1 3 360.546 2.677 20 0 FFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000489961312 515047789 /nfs/dbraw/zinc/04/77/89/515047789.db2.gz YLXSDJPPDUEUHT-HNNXBMFYSA-N 1 3 354.292 2.981 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000458732801 515051623 /nfs/dbraw/zinc/05/16/23/515051623.db2.gz LUDMJUNRYRJYMF-FXAWDEMLSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000458732801 515051634 /nfs/dbraw/zinc/05/16/34/515051634.db2.gz LUDMJUNRYRJYMF-FXAWDEMLSA-N 1 3 362.562 2.909 20 0 FFADHO CCCN(CC[NH+](CC)CC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000462509213 515096565 /nfs/dbraw/zinc/09/65/65/515096565.db2.gz XTQNHVXSJUEKGU-UHFFFAOYSA-N 1 3 358.596 2.577 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485618585 515115223 /nfs/dbraw/zinc/11/52/23/515115223.db2.gz GOJGCXRDXPYENL-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485618585 515115230 /nfs/dbraw/zinc/11/52/30/515115230.db2.gz GOJGCXRDXPYENL-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2cccc(F)c2C)C1 ZINC000472280290 515200177 /nfs/dbraw/zinc/20/01/77/515200177.db2.gz UOTYSZUBRVQZPJ-QGZVFWFLSA-N 1 3 365.493 2.895 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000468032166 515202920 /nfs/dbraw/zinc/20/29/20/515202920.db2.gz ZMDKBIUNWJFSMR-UNEWFSDZSA-N 1 3 369.431 2.736 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000468032166 515202933 /nfs/dbraw/zinc/20/29/33/515202933.db2.gz ZMDKBIUNWJFSMR-UNEWFSDZSA-N 1 3 369.431 2.736 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000468041892 515206189 /nfs/dbraw/zinc/20/61/89/515206189.db2.gz VOQQAIHJMVMGSR-KSZLIROESA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000468041892 515206199 /nfs/dbraw/zinc/20/61/99/515206199.db2.gz VOQQAIHJMVMGSR-KSZLIROESA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000458936809 515213141 /nfs/dbraw/zinc/21/31/41/515213141.db2.gz NOPKUEFQUCEDBZ-CEXWTWQISA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000458936809 515213148 /nfs/dbraw/zinc/21/31/48/515213148.db2.gz NOPKUEFQUCEDBZ-CEXWTWQISA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CN1Cc1ccccc1 ZINC000499198547 515234197 /nfs/dbraw/zinc/23/41/97/515234197.db2.gz WIDREHKYKVXCTI-RMVXJAJNSA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000509571635 515239049 /nfs/dbraw/zinc/23/90/49/515239049.db2.gz RIKMVBFXRSQOAF-FNNOIMFVSA-N 1 3 362.518 2.975 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000509571635 515239054 /nfs/dbraw/zinc/23/90/54/515239054.db2.gz RIKMVBFXRSQOAF-FNNOIMFVSA-N 1 3 362.518 2.975 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000476937724 515257181 /nfs/dbraw/zinc/25/71/81/515257181.db2.gz FBWHEFJUPOJMNB-QHAWAJNXSA-N 1 3 370.541 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000476937724 515257187 /nfs/dbraw/zinc/25/71/87/515257187.db2.gz FBWHEFJUPOJMNB-QHAWAJNXSA-N 1 3 370.541 2.823 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504346651 515280878 /nfs/dbraw/zinc/28/08/78/515280878.db2.gz XXELSKPRDHKRPC-XUVXKRRUSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504346651 515280883 /nfs/dbraw/zinc/28/08/83/515280883.db2.gz XXELSKPRDHKRPC-XUVXKRRUSA-N 1 3 356.514 2.750 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000490882482 515323435 /nfs/dbraw/zinc/32/34/35/515323435.db2.gz WLENFEZNGQUFNS-UHFFFAOYSA-N 1 3 360.546 2.854 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000490882482 515323441 /nfs/dbraw/zinc/32/34/41/515323441.db2.gz WLENFEZNGQUFNS-UHFFFAOYSA-N 1 3 360.546 2.854 20 0 FFADHO C[N@H+](CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000454234060 515328780 /nfs/dbraw/zinc/32/87/80/515328780.db2.gz DAPBNPWGRSONFG-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+](CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000454234060 515328790 /nfs/dbraw/zinc/32/87/90/515328790.db2.gz DAPBNPWGRSONFG-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000468397137 515338703 /nfs/dbraw/zinc/33/87/03/515338703.db2.gz IQDGMOCWWPWLCB-HDICACEKSA-N 1 3 361.530 2.896 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000481486523 515344644 /nfs/dbraw/zinc/34/46/44/515344644.db2.gz PZYPGJPVXDGNGP-KRWDZBQOSA-N 1 3 361.505 2.996 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000486274911 515411857 /nfs/dbraw/zinc/41/18/57/515411857.db2.gz ZXIZVIKHJUTERV-HOTGVXAUSA-N 1 3 367.484 2.943 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000486274911 515411870 /nfs/dbraw/zinc/41/18/70/515411870.db2.gz ZXIZVIKHJUTERV-HOTGVXAUSA-N 1 3 367.484 2.943 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459253302 515424036 /nfs/dbraw/zinc/42/40/36/515424036.db2.gz HKUOPAYHFMAMPN-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459253302 515424043 /nfs/dbraw/zinc/42/40/43/515424043.db2.gz HKUOPAYHFMAMPN-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000463271808 515425571 /nfs/dbraw/zinc/42/55/71/515425571.db2.gz MSBMVSORQVDZRH-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459256512 515427654 /nfs/dbraw/zinc/42/76/54/515427654.db2.gz IXDRLGJLQXUXIG-NRFANRHFSA-N 1 3 374.573 2.924 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459256512 515427663 /nfs/dbraw/zinc/42/76/63/515427663.db2.gz IXDRLGJLQXUXIG-NRFANRHFSA-N 1 3 374.573 2.924 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459285752 515447733 /nfs/dbraw/zinc/44/77/33/515447733.db2.gz FJHNLEFOOGUJTC-CTNGQTDRSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459285752 515447739 /nfs/dbraw/zinc/44/77/39/515447739.db2.gz FJHNLEFOOGUJTC-CTNGQTDRSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NCCN(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000510319474 515502622 /nfs/dbraw/zinc/50/26/22/515502622.db2.gz QOQAWVJVEXJJIR-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NCCN(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000510319474 515502630 /nfs/dbraw/zinc/50/26/30/515502630.db2.gz QOQAWVJVEXJJIR-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)CC2CCN(C)CC2)CCOCC1)c1ccccc1 ZINC000486500073 515512742 /nfs/dbraw/zinc/51/27/42/515512742.db2.gz LYQYHMDAXGKISK-GOSISDBHSA-N 1 3 373.541 2.735 20 0 FFADHO Cc1noc(CCC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000477667801 515545849 /nfs/dbraw/zinc/54/58/49/515545849.db2.gz NVKZJCKADGLWMQ-HZPDHXFCSA-N 1 3 350.507 2.522 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000473247359 515548511 /nfs/dbraw/zinc/54/85/11/515548511.db2.gz BIIPXSLXALVEEM-OAQYLSRUSA-N 1 3 374.573 2.607 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC([C@H](C)NC(C)=O)CC2)CC1 ZINC000482522028 515704614 /nfs/dbraw/zinc/70/46/14/515704614.db2.gz FMPUBAVOIQMRQK-SFHVURJKSA-N 1 3 372.557 2.565 20 0 FFADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C[C@@H]1c1ccccc1 ZINC000464080479 515704708 /nfs/dbraw/zinc/70/47/08/515704708.db2.gz CGPHWDZEYXWJLM-NHCUHLMSSA-N 1 3 359.558 2.548 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000454760741 515724047 /nfs/dbraw/zinc/72/40/47/515724047.db2.gz BGOYTBMCHDHJMW-QFBILLFUSA-N 1 3 360.502 2.575 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)C ZINC000482702985 515776763 /nfs/dbraw/zinc/77/67/63/515776763.db2.gz BJSSGLPFARQJGW-QKLQHJQFSA-N 1 3 358.530 2.770 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N(C)C ZINC000482702985 515776768 /nfs/dbraw/zinc/77/67/68/515776768.db2.gz BJSSGLPFARQJGW-QKLQHJQFSA-N 1 3 358.530 2.770 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478421677 515816449 /nfs/dbraw/zinc/81/64/49/515816449.db2.gz RDJJQCRWZGYCHW-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000511227367 515834196 /nfs/dbraw/zinc/83/41/96/515834196.db2.gz BOUVHZPOKDSPKB-SJORKVTESA-N 1 3 350.551 2.837 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000511227367 515834204 /nfs/dbraw/zinc/83/42/04/515834204.db2.gz BOUVHZPOKDSPKB-SJORKVTESA-N 1 3 350.551 2.837 20 0 FFADHO CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000457408995 515854201 /nfs/dbraw/zinc/85/42/01/515854201.db2.gz PODJREJCNSFNTM-KRWDZBQOSA-N 1 3 352.548 2.652 20 0 FFADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1ccsc1)C(C)C ZINC000457417787 515858663 /nfs/dbraw/zinc/85/86/63/515858663.db2.gz GKLJOIHEKDBXMC-UHFFFAOYSA-N 1 3 354.564 2.940 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000457518365 515937624 /nfs/dbraw/zinc/93/76/24/515937624.db2.gz SQBVOTQXZQILHC-FQEVSTJZSA-N 1 3 358.530 2.907 20 0 FFADHO OC1CC[NH+](CCCN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494900084 516002667 /nfs/dbraw/zinc/00/26/67/516002667.db2.gz HAPMSRAZCMQMSI-JXFKEZNVSA-N 1 3 350.478 2.730 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@@H](C)C1 ZINC000487841471 516002737 /nfs/dbraw/zinc/00/27/37/516002737.db2.gz SAMYEJRRVWEERH-KVPLUYHFSA-N 1 3 364.578 2.869 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000501189319 516011476 /nfs/dbraw/zinc/01/14/76/516011476.db2.gz URDUQDNIQULEML-RTBURBONSA-N 1 3 352.567 2.917 20 0 FFADHO [NH3+]C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479194921 516100460 /nfs/dbraw/zinc/10/04/60/516100460.db2.gz YSIAHODMLKZIEY-PMACEKPBSA-N 1 3 355.457 2.649 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000479208597 516108617 /nfs/dbraw/zinc/10/86/17/516108617.db2.gz BJRBBLGFBDIYBJ-OAQYLSRUSA-N 1 3 369.484 2.957 20 0 FFADHO CCc1cc(OC)ccc1CNCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000501453944 516110292 /nfs/dbraw/zinc/11/02/92/516110292.db2.gz WYXJMALXPKTNRK-UHFFFAOYSA-N 1 3 369.509 2.839 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000457740570 516112312 /nfs/dbraw/zinc/11/23/12/516112312.db2.gz IHFQYIZPHRVFAD-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000457740570 516112323 /nfs/dbraw/zinc/11/23/23/516112323.db2.gz IHFQYIZPHRVFAD-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000501506685 516129847 /nfs/dbraw/zinc/12/98/47/516129847.db2.gz SXHGWXCGCXGWBC-UYAOXDASSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000501506685 516129853 /nfs/dbraw/zinc/12/98/53/516129853.db2.gz SXHGWXCGCXGWBC-UYAOXDASSA-N 1 3 358.530 2.997 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000501545555 516149785 /nfs/dbraw/zinc/14/97/85/516149785.db2.gz JTTFIBJUJMIJCG-FQEVSTJZSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501554904 516153082 /nfs/dbraw/zinc/15/30/82/516153082.db2.gz UJDUOAMUGRTHDR-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501554904 516153086 /nfs/dbraw/zinc/15/30/86/516153086.db2.gz UJDUOAMUGRTHDR-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000465443985 516156474 /nfs/dbraw/zinc/15/64/74/516156474.db2.gz CPBXRMUCPSJILA-FCGDIQPGSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000465443985 516156484 /nfs/dbraw/zinc/15/64/84/516156484.db2.gz CPBXRMUCPSJILA-FCGDIQPGSA-N 1 3 352.567 2.869 20 0 FFADHO COc1ccc([C@H](C)[C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000474730559 516173966 /nfs/dbraw/zinc/17/39/66/516173966.db2.gz SAEBLPPPPIIECZ-LMMKCTJWSA-N 1 3 364.530 2.878 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000465529868 516181302 /nfs/dbraw/zinc/18/13/02/516181302.db2.gz MLZCMCUDPPIWET-USXIJHARSA-N 1 3 352.548 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000465529868 516181308 /nfs/dbraw/zinc/18/13/08/516181308.db2.gz MLZCMCUDPPIWET-USXIJHARSA-N 1 3 352.548 2.913 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000501755364 516215496 /nfs/dbraw/zinc/21/54/96/516215496.db2.gz KVGOUWVIHUGNIL-ZVDOUQERSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000501755364 516215502 /nfs/dbraw/zinc/21/55/02/516215502.db2.gz KVGOUWVIHUGNIL-ZVDOUQERSA-N 1 3 374.573 2.827 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000465652603 516220731 /nfs/dbraw/zinc/22/07/31/516220731.db2.gz NKFDKDYSLZECET-TZIWHRDSSA-N 1 3 374.573 2.984 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000465652603 516220736 /nfs/dbraw/zinc/22/07/36/516220736.db2.gz NKFDKDYSLZECET-TZIWHRDSSA-N 1 3 374.573 2.984 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000501833372 516237999 /nfs/dbraw/zinc/23/79/99/516237999.db2.gz VZKVVONZALBSEO-ZCNNSNEGSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000501833372 516238006 /nfs/dbraw/zinc/23/80/06/516238006.db2.gz VZKVVONZALBSEO-ZCNNSNEGSA-N 1 3 356.514 2.750 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000465789392 516257721 /nfs/dbraw/zinc/25/77/21/516257721.db2.gz ROAXRGBHWYGNRN-SFTDATJTSA-N 1 3 372.557 2.601 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000465789392 516257727 /nfs/dbraw/zinc/25/77/27/516257727.db2.gz ROAXRGBHWYGNRN-SFTDATJTSA-N 1 3 372.557 2.601 20 0 FFADHO CN(C)C1(CNC(=O)NCC[N@H+](C)C2CCCCC2)Cc2ccccc2C1 ZINC000465790215 516258384 /nfs/dbraw/zinc/25/83/84/516258384.db2.gz SXVOKWYABREVBT-UHFFFAOYSA-N 1 3 372.557 2.649 20 0 FFADHO CN(C)C1(CNC(=O)NCC[N@@H+](C)C2CCCCC2)Cc2ccccc2C1 ZINC000465790215 516258392 /nfs/dbraw/zinc/25/83/92/516258392.db2.gz SXVOKWYABREVBT-UHFFFAOYSA-N 1 3 372.557 2.649 20 0 FFADHO Cc1noc(C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)c2ccccc2)n1 ZINC000501940273 516270041 /nfs/dbraw/zinc/27/00/41/516270041.db2.gz YBBBYKQLEZAZDQ-HXUWFJFHSA-N 1 3 371.529 2.668 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000460885438 516275667 /nfs/dbraw/zinc/27/56/67/516275667.db2.gz SHRROTCRAJNOAH-DOTOQJQBSA-N 1 3 367.484 2.943 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000460885438 516275672 /nfs/dbraw/zinc/27/56/72/516275672.db2.gz SHRROTCRAJNOAH-DOTOQJQBSA-N 1 3 367.484 2.943 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000502121846 516306321 /nfs/dbraw/zinc/30/63/21/516306321.db2.gz KDJQRRTYAITIFV-VQIMIIECSA-N 1 3 364.509 2.992 20 0 FFADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)N1CCOCC1 ZINC000512650283 516318388 /nfs/dbraw/zinc/31/83/88/516318388.db2.gz YPOBBTKKZRMJOK-BHDDXSALSA-N 1 3 371.569 2.988 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000497436376 516322287 /nfs/dbraw/zinc/32/22/87/516322287.db2.gz IQLJJOLSAUAJKT-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000497436376 516322288 /nfs/dbraw/zinc/32/22/88/516322288.db2.gz IQLJJOLSAUAJKT-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CC[NH+](CC)CCOCCNCc1cnc2ccc(Br)cn12 ZINC000543624316 516334422 /nfs/dbraw/zinc/33/44/22/516334422.db2.gz XWAOOQKKNZWQDT-UHFFFAOYSA-N 1 3 369.307 2.545 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000517472917 516337375 /nfs/dbraw/zinc/33/73/75/516337375.db2.gz FKHLQIDYHGFRIZ-KRWDZBQOSA-N 1 3 364.559 2.601 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000517472917 516337381 /nfs/dbraw/zinc/33/73/81/516337381.db2.gz FKHLQIDYHGFRIZ-KRWDZBQOSA-N 1 3 364.559 2.601 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000535510496 516380036 /nfs/dbraw/zinc/38/00/36/516380036.db2.gz BCNNTLCYIRQOJN-PWRODBHTSA-N 1 3 370.541 2.531 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cccc(OC)c3)CC2)CC1 ZINC000561156337 516413428 /nfs/dbraw/zinc/41/34/28/516413428.db2.gz QUYPLTBWHXCDKG-UHFFFAOYSA-N 1 3 373.541 2.550 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000561195915 516444234 /nfs/dbraw/zinc/44/42/34/516444234.db2.gz BQVRYRLGAPWCHQ-RTBURBONSA-N 1 3 358.530 2.511 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C[C@H](C)O1 ZINC000531535730 516513205 /nfs/dbraw/zinc/51/32/05/516513205.db2.gz XSQNLOFJKSPWTK-ROUUACIJSA-N 1 3 367.578 2.893 20 0 FFADHO CS[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1N1CCCC1 ZINC000547736788 516531005 /nfs/dbraw/zinc/53/10/05/516531005.db2.gz UWJHUGGOBWEVEI-ROUUACIJSA-N 1 3 353.576 2.679 20 0 FFADHO CS[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1N1CCCC1 ZINC000547736788 516531013 /nfs/dbraw/zinc/53/10/13/516531013.db2.gz UWJHUGGOBWEVEI-ROUUACIJSA-N 1 3 353.576 2.679 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000531609872 516552430 /nfs/dbraw/zinc/55/24/30/516552430.db2.gz JGSUIGXDLZBZBB-HXUWFJFHSA-N 1 3 362.514 2.569 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4n[nH]cc4c3)CC2)CC1 ZINC000518211792 516576385 /nfs/dbraw/zinc/57/63/85/516576385.db2.gz JWZJNVWQYGQWPU-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO CC[C@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCOCC1 ZINC000531720400 516610880 /nfs/dbraw/zinc/61/08/80/516610880.db2.gz FRMDRNVBOYVLLO-SFTDATJTSA-N 1 3 373.541 2.679 20 0 FFADHO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000540588203 516632276 /nfs/dbraw/zinc/63/22/76/516632276.db2.gz WCVQGFNXIUOCBR-UHFFFAOYSA-N 1 3 362.518 2.558 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(OC)c(OC)cc1C ZINC000554875117 516676321 /nfs/dbraw/zinc/67/63/21/516676321.db2.gz SBAWIFNEWJEZIA-LJQANCHMSA-N 1 3 363.546 2.860 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(OC)c(OC)cc1C ZINC000554875117 516676325 /nfs/dbraw/zinc/67/63/25/516676325.db2.gz SBAWIFNEWJEZIA-LJQANCHMSA-N 1 3 363.546 2.860 20 0 FFADHO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n(C2CCN(C)CC2)n1 ZINC000558387162 516715335 /nfs/dbraw/zinc/71/53/35/516715335.db2.gz OZDOXWVQVKEGER-FUHWJXTLSA-N 1 3 374.533 2.549 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000540813948 516724454 /nfs/dbraw/zinc/72/44/54/516724454.db2.gz QUSJLMITVSIPNA-MRXNPFEDSA-N 1 3 356.470 2.701 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000540813948 516724463 /nfs/dbraw/zinc/72/44/63/516724463.db2.gz QUSJLMITVSIPNA-MRXNPFEDSA-N 1 3 356.470 2.701 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000518628921 516729822 /nfs/dbraw/zinc/72/98/22/516729822.db2.gz UFLKTRKCBQPCTH-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000544491290 516781404 /nfs/dbraw/zinc/78/14/04/516781404.db2.gz ZXBNLWMSSXFMSL-PMACEKPBSA-N 1 3 351.579 2.931 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000514022683 516834798 /nfs/dbraw/zinc/83/47/98/516834798.db2.gz PBVQMJVKQKQBJV-HXUWFJFHSA-N 1 3 358.530 2.826 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000519004483 516852138 /nfs/dbraw/zinc/85/21/38/516852138.db2.gz XXHKNAGRMSSHAU-GOSISDBHSA-N 1 3 366.937 2.974 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000524935255 516871361 /nfs/dbraw/zinc/87/13/61/516871361.db2.gz YZDJBDSOVIBUNI-VQTJNVASSA-N 1 3 360.546 2.848 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000514564756 516940872 /nfs/dbraw/zinc/94/08/72/516940872.db2.gz OWYKWNBEJLIPHO-MRXNPFEDSA-N 1 3 350.532 2.670 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCC1 ZINC000551997326 517016887 /nfs/dbraw/zinc/01/68/87/517016887.db2.gz VOVVEPXVCOMAQY-AEFFLSMTSA-N 1 3 365.468 2.744 20 0 FFADHO CCSc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000525438099 517039302 /nfs/dbraw/zinc/03/93/02/517039302.db2.gz NQBAWRPIBDVHCN-MRXNPFEDSA-N 1 3 366.575 2.994 20 0 FFADHO Cc1cc(N2CCC([NH2+]CCO)CC2)c2cc(OC(F)F)ccc2n1 ZINC000514763128 517042335 /nfs/dbraw/zinc/04/23/35/517042335.db2.gz DZCATLRICKRLQM-UHFFFAOYSA-N 1 3 351.397 2.695 20 0 FFADHO CCN1CCC([NH+]2CCC(C(=O)Nc3cccc(CN(C)C)c3)CC2)CC1 ZINC000514948091 517139019 /nfs/dbraw/zinc/13/90/19/517139019.db2.gz UGCUVNHWSBPUIL-UHFFFAOYSA-N 1 3 372.557 2.883 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000555839326 517148880 /nfs/dbraw/zinc/14/88/80/517148880.db2.gz IXFMNFVOUZBMQH-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000555839326 517148888 /nfs/dbraw/zinc/14/88/88/517148888.db2.gz IXFMNFVOUZBMQH-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO COc1cc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1F ZINC000537445097 517190364 /nfs/dbraw/zinc/19/03/64/517190364.db2.gz LBUKJSWGPFUCNS-PBHICJAKSA-N 1 3 353.482 2.577 20 0 FFADHO CCN1CC[C@H]2OCCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000552349747 517212204 /nfs/dbraw/zinc/21/22/04/517212204.db2.gz LLMUCUSCUXXNKU-LEWJYISDSA-N 1 3 359.558 2.940 20 0 FFADHO CCN1CC[C@H]2OCCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000552349747 517212212 /nfs/dbraw/zinc/21/22/12/517212212.db2.gz LLMUCUSCUXXNKU-LEWJYISDSA-N 1 3 359.558 2.940 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515234562 517266437 /nfs/dbraw/zinc/26/64/37/517266437.db2.gz JWZWDHJNKYLOET-IEBWSBKVSA-N 1 3 354.922 2.785 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515234562 517266444 /nfs/dbraw/zinc/26/64/44/517266444.db2.gz JWZWDHJNKYLOET-IEBWSBKVSA-N 1 3 354.922 2.785 20 0 FFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC2CCS(=O)(=O)CC2)CC1 ZINC000541909499 517287140 /nfs/dbraw/zinc/28/71/40/517287140.db2.gz UFOAPUAMSUMCFU-QFBILLFUSA-N 1 3 356.576 2.834 20 0 FFADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCC2CCS(=O)(=O)CC2)CC1 ZINC000541909499 517287148 /nfs/dbraw/zinc/28/71/48/517287148.db2.gz UFOAPUAMSUMCFU-QFBILLFUSA-N 1 3 356.576 2.834 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1N1CCCC1 ZINC000520251765 517319329 /nfs/dbraw/zinc/31/93/29/517319329.db2.gz MBCARDOGJSDHKN-XUVXKRRUSA-N 1 3 373.566 2.547 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1N1CCCC1 ZINC000520251765 517319336 /nfs/dbraw/zinc/31/93/36/517319336.db2.gz MBCARDOGJSDHKN-XUVXKRRUSA-N 1 3 373.566 2.547 20 0 FFADHO CC(C)[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCCC1 ZINC000552662935 517338526 /nfs/dbraw/zinc/33/85/26/517338526.db2.gz YZNXIULXOYNOLL-NRFANRHFSA-N 1 3 372.557 2.854 20 0 FFADHO CCOc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2ncccc12 ZINC000526162975 517366911 /nfs/dbraw/zinc/36/69/11/517366911.db2.gz TXBAODPWSISKMO-UHFFFAOYSA-N 1 3 373.501 2.591 20 0 FFADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000515483311 517371876 /nfs/dbraw/zinc/37/18/76/517371876.db2.gz KPWKFHMEYMKHBD-BRSBDYLESA-N 1 3 351.560 2.863 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000545867097 517404567 /nfs/dbraw/zinc/40/45/67/517404567.db2.gz NYTHZBAZMJOVOC-ICSRJNTNSA-N 1 3 356.514 2.773 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000545867097 517404571 /nfs/dbraw/zinc/40/45/71/517404571.db2.gz NYTHZBAZMJOVOC-ICSRJNTNSA-N 1 3 356.514 2.773 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000559766783 517419447 /nfs/dbraw/zinc/41/94/47/517419447.db2.gz KXZNVQKUQXMIIW-CEMLEFRQSA-N 1 3 359.558 2.722 20 0 FFADHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000559766783 517419461 /nfs/dbraw/zinc/41/94/61/517419461.db2.gz KXZNVQKUQXMIIW-CEMLEFRQSA-N 1 3 359.558 2.722 20 0 FFADHO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000537980667 517423119 /nfs/dbraw/zinc/42/31/19/517423119.db2.gz ICPCOIQCOJBRTH-IEZWGBDMSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000537980667 517423126 /nfs/dbraw/zinc/42/31/26/517423126.db2.gz ICPCOIQCOJBRTH-IEZWGBDMSA-N 1 3 368.543 2.633 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000562818974 517430643 /nfs/dbraw/zinc/43/06/43/517430643.db2.gz TURVWRSULRFUTL-ZCNNSNEGSA-N 1 3 370.541 2.810 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000549192679 517449027 /nfs/dbraw/zinc/44/90/27/517449027.db2.gz ZMQQEFJPHLFWHI-MRXNPFEDSA-N 1 3 370.497 2.755 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000549192679 517449037 /nfs/dbraw/zinc/44/90/37/517449037.db2.gz ZMQQEFJPHLFWHI-MRXNPFEDSA-N 1 3 370.497 2.755 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@](C)(OC)C3(C)C)CC2)CC1 ZINC000520606794 517454202 /nfs/dbraw/zinc/45/42/02/517454202.db2.gz VAVIACKHDNHBHH-NQIIRXRSSA-N 1 3 365.562 2.503 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000530025426 517504355 /nfs/dbraw/zinc/50/43/55/517504355.db2.gz DQLCEWONCORLGV-NHCUHLMSSA-N 1 3 355.526 2.999 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3scnc3C)CC2)CC1 ZINC000553091360 517518902 /nfs/dbraw/zinc/51/89/02/517518902.db2.gz SLVTYRHBHZMUAD-UHFFFAOYSA-N 1 3 364.559 2.606 20 0 FFADHO O=C(N1CC[C@H](N2CCCC2)C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000527195677 517552346 /nfs/dbraw/zinc/55/23/46/517552346.db2.gz PDPJGJBLSZTPAN-FUPPJEDESA-N 1 3 367.537 2.985 20 0 FFADHO O=C(N1CC[C@H](N2CCCC2)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000527195677 517552351 /nfs/dbraw/zinc/55/23/51/517552351.db2.gz PDPJGJBLSZTPAN-FUPPJEDESA-N 1 3 367.537 2.985 20 0 FFADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000553185798 517565173 /nfs/dbraw/zinc/56/51/73/517565173.db2.gz BPMLOJJBINHNJL-RBSFLKMASA-N 1 3 365.484 2.988 20 0 FFADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000553185798 517565180 /nfs/dbraw/zinc/56/51/80/517565180.db2.gz BPMLOJJBINHNJL-RBSFLKMASA-N 1 3 365.484 2.988 20 0 FFADHO C[C@H]1CCC[C@](CNC(=O)NCCN(C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516181311 517605630 /nfs/dbraw/zinc/60/56/30/517605630.db2.gz UOUKUDFVKCUSIA-RXVVDRJESA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000516205629 517617212 /nfs/dbraw/zinc/61/72/12/517617212.db2.gz LYWVHBHTTRWQDI-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546266210 517620752 /nfs/dbraw/zinc/62/07/52/517620752.db2.gz UHNUORJVTQMRGH-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546266210 517620759 /nfs/dbraw/zinc/62/07/59/517620759.db2.gz UHNUORJVTQMRGH-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CNCc4ccccc43)C2)CC1 ZINC000563064606 517626504 /nfs/dbraw/zinc/62/65/04/517626504.db2.gz RORLPQSDLLUPJH-NQIIRXRSSA-N 1 3 355.526 2.844 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000516242589 517632223 /nfs/dbraw/zinc/63/22/23/517632223.db2.gz QUQXDTOQNWPDOQ-AJYBTWMASA-N 1 3 360.546 2.955 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000516242589 517632232 /nfs/dbraw/zinc/63/22/32/517632232.db2.gz QUQXDTOQNWPDOQ-AJYBTWMASA-N 1 3 360.546 2.955 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243779 517652289 /nfs/dbraw/zinc/65/22/89/517652289.db2.gz YRUHDZQYKJJNOC-RTWAWAEBSA-N 1 3 373.541 2.687 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)s2)cn1 ZINC000530248545 517654926 /nfs/dbraw/zinc/65/49/26/517654926.db2.gz MAKBUMOBGHCLEU-KRWDZBQOSA-N 1 3 360.527 2.739 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000549806716 517719028 /nfs/dbraw/zinc/71/90/28/517719028.db2.gz PIWKWOQDBNAIRA-FVJLSDCUSA-N 1 3 364.505 2.550 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000556887572 517727911 /nfs/dbraw/zinc/72/79/11/517727911.db2.gz YZLLJLIIVUROHI-CIAFKFPVSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556887572 517727918 /nfs/dbraw/zinc/72/79/18/517727918.db2.gz YZLLJLIIVUROHI-CIAFKFPVSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556887572 517727926 /nfs/dbraw/zinc/72/79/26/517727926.db2.gz YZLLJLIIVUROHI-CIAFKFPVSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000521509662 517761237 /nfs/dbraw/zinc/76/12/37/517761237.db2.gz SNGWCFCJYRLZDQ-GOSISDBHSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000521509662 517761243 /nfs/dbraw/zinc/76/12/43/517761243.db2.gz SNGWCFCJYRLZDQ-GOSISDBHSA-N 1 3 352.567 2.869 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000538763972 517769975 /nfs/dbraw/zinc/76/99/75/517769975.db2.gz GCYKRZCMMFFDMT-UHFFFAOYSA-N 1 3 357.502 2.795 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCCNC1 ZINC000516743532 517825094 /nfs/dbraw/zinc/82/50/94/517825094.db2.gz PQRXPECWGDPWOD-WFASDCNBSA-N 1 3 354.292 2.898 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000527678264 517839057 /nfs/dbraw/zinc/83/90/57/517839057.db2.gz ZEGWTTKBABCKHC-LJQANCHMSA-N 1 3 350.551 2.813 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000527704321 517858098 /nfs/dbraw/zinc/85/80/98/517858098.db2.gz DFTAWTBKHWPCBU-HXUWFJFHSA-N 1 3 362.562 2.957 20 0 FFADHO COc1cc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccn1 ZINC000563418550 517892428 /nfs/dbraw/zinc/89/24/28/517892428.db2.gz PDWQAPIHTWSFDY-QGZVFWFLSA-N 1 3 355.482 2.768 20 0 FFADHO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000560574542 517903588 /nfs/dbraw/zinc/90/35/88/517903588.db2.gz NUPLADBAGLHCIW-STQMWFEESA-N 1 3 365.547 2.528 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000563545635 517974834 /nfs/dbraw/zinc/97/48/34/517974834.db2.gz MLFHJBUHYQBLGG-QHAWAJNXSA-N 1 3 370.541 2.511 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000522079232 517979386 /nfs/dbraw/zinc/97/93/86/517979386.db2.gz QBISNVNHZASFJL-FPOVZHCZSA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000522079232 517979392 /nfs/dbraw/zinc/97/93/92/517979392.db2.gz QBISNVNHZASFJL-FPOVZHCZSA-N 1 3 370.541 2.701 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000543232541 517979656 /nfs/dbraw/zinc/97/96/56/517979656.db2.gz MQRKPQBAVNIWLP-CALCHBBNSA-N 1 3 357.502 2.555 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000563561071 517985844 /nfs/dbraw/zinc/98/58/44/517985844.db2.gz NXDBXXLSZMEQBX-WBVHZDCISA-N 1 3 364.559 2.729 20 0 FFADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccncc1 ZINC000517046753 517997608 /nfs/dbraw/zinc/99/76/08/517997608.db2.gz JUQDQLLNZFQUSO-HXUWFJFHSA-N 1 3 358.530 2.769 20 0 FFADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccncc1 ZINC000517046753 517997615 /nfs/dbraw/zinc/99/76/15/517997615.db2.gz JUQDQLLNZFQUSO-HXUWFJFHSA-N 1 3 358.530 2.769 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000517140974 518039798 /nfs/dbraw/zinc/03/97/98/518039798.db2.gz YGCHEFFNHHFJEU-JXFKEZNVSA-N 1 3 352.482 2.780 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000560877126 518069628 /nfs/dbraw/zinc/06/96/28/518069628.db2.gz OGUCXILTQYPKJC-ROUUACIJSA-N 1 3 361.530 2.725 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)[NH+]1CCC(C)CC1 ZINC000522468518 518112542 /nfs/dbraw/zinc/11/25/42/518112542.db2.gz HPGCFYRWQRKIDV-RTBURBONSA-N 1 3 352.567 2.726 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522468450 518113360 /nfs/dbraw/zinc/11/33/60/518113360.db2.gz DQCNCNPRGIXCKQ-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522468450 518113367 /nfs/dbraw/zinc/11/33/67/518113367.db2.gz DQCNCNPRGIXCKQ-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000528291930 518166700 /nfs/dbraw/zinc/16/67/00/518166700.db2.gz FHSKIKUCQBTEBF-FQEVSTJZSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[NH+]1CCC(C)CC1 ZINC000535367024 518176795 /nfs/dbraw/zinc/17/67/95/518176795.db2.gz WIZYWTJYRJWRLN-YZGWKJHDSA-N 1 3 358.530 2.851 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000572503448 518222706 /nfs/dbraw/zinc/22/27/06/518222706.db2.gz WBYSIJHIRQGYFI-FCHUYYIVSA-N 1 3 358.574 2.829 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000575732743 518254347 /nfs/dbraw/zinc/25/43/47/518254347.db2.gz AWTCSYGRPDPVIW-MJUUVYJYSA-N 1 3 370.541 2.511 20 0 FFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000575745835 518260965 /nfs/dbraw/zinc/26/09/65/518260965.db2.gz TYKLCVRROQYVJT-HNNXBMFYSA-N 1 3 367.484 2.881 20 0 FFADHO CC1(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[NH2+]CC1 ZINC000581476185 518304242 /nfs/dbraw/zinc/30/42/42/518304242.db2.gz GTANWTVEKJKPIA-UHFFFAOYSA-N 1 3 362.543 2.542 20 0 FFADHO Clc1cccnc1OCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000584404850 518325806 /nfs/dbraw/zinc/32/58/06/518325806.db2.gz KBCVDXRIOSAVOT-LPHOPBHVSA-N 1 3 359.857 2.959 20 0 FFADHO Cc1cc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)n(C2CCN(C)CC2)n1 ZINC000564187273 518340509 /nfs/dbraw/zinc/34/05/09/518340509.db2.gz DPJPQHLYVLCBFN-OAHLLOKOSA-N 1 3 370.501 2.800 20 0 FFADHO CC1(C(=O)N2CCC(OCCC[NH3+])CC2)CCN(Cc2ccccc2)CC1 ZINC000564209401 518352026 /nfs/dbraw/zinc/35/20/26/518352026.db2.gz VDEIZYWRBZDZEA-UHFFFAOYSA-N 1 3 373.541 2.645 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000569966929 518379565 /nfs/dbraw/zinc/37/95/65/518379565.db2.gz KVLOVOAJHYDETD-HXUWFJFHSA-N 1 3 352.482 2.561 20 0 FFADHO CCN(C(=O)NCC1CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000564310240 518393097 /nfs/dbraw/zinc/39/30/97/518393097.db2.gz VEJPDUWHSGZESU-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO CCCCOc1cccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000567235434 518421509 /nfs/dbraw/zinc/42/15/09/518421509.db2.gz JZZJPBGRTRCZSF-WOJBJXKFSA-N 1 3 373.541 2.803 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570072210 518428000 /nfs/dbraw/zinc/42/80/00/518428000.db2.gz LAEVTXAONLYWSW-DJPFJPOOSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570072210 518428003 /nfs/dbraw/zinc/42/80/03/518428003.db2.gz LAEVTXAONLYWSW-DJPFJPOOSA-N 1 3 370.541 2.826 20 0 FFADHO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000570149792 518465716 /nfs/dbraw/zinc/46/57/16/518465716.db2.gz TZIMWJNIUHRJAW-LPHOPBHVSA-N 1 3 357.498 2.804 20 0 FFADHO CCN(Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1)C1CC1 ZINC000579005082 518478406 /nfs/dbraw/zinc/47/84/06/518478406.db2.gz BJFQQCMSGLHRNZ-RTWAWAEBSA-N 1 3 371.525 2.639 20 0 FFADHO C[C@H]1C[N@H+](CCCNCCC(=O)Nc2ccc(Cl)cc2)CCCO1 ZINC000581880263 518483287 /nfs/dbraw/zinc/48/32/87/518483287.db2.gz ZLFWGXOTTDHBAN-HNNXBMFYSA-N 1 3 353.894 2.759 20 0 FFADHO C[C@H]1C[N@@H+](CCCNCCC(=O)Nc2ccc(Cl)cc2)CCCO1 ZINC000581880263 518483297 /nfs/dbraw/zinc/48/32/97/518483297.db2.gz ZLFWGXOTTDHBAN-HNNXBMFYSA-N 1 3 353.894 2.759 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)cc2)CC1 ZINC000567382057 518498032 /nfs/dbraw/zinc/49/80/32/518498032.db2.gz XOEFBCKZANOUPV-LJQANCHMSA-N 1 3 360.546 2.787 20 0 FFADHO c1ccc(CN2CCCO[C@@H](CNC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000570231911 518506318 /nfs/dbraw/zinc/50/63/18/518506318.db2.gz PEFAOJQZLBZURO-QFIPXVFZSA-N 1 3 357.542 2.742 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000579235677 518587209 /nfs/dbraw/zinc/58/72/09/518587209.db2.gz ASVOIZXDYPTASV-FUHWJXTLSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000579235677 518587215 /nfs/dbraw/zinc/58/72/15/518587215.db2.gz ASVOIZXDYPTASV-FUHWJXTLSA-N 1 3 353.576 2.585 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn2cc(Cl)ccc2n1 ZINC000576433005 518589709 /nfs/dbraw/zinc/58/97/09/518589709.db2.gz JCKURDQTRGRJJO-GOSISDBHSA-N 1 3 363.937 2.836 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn2cc(Cl)ccc2n1 ZINC000576433005 518589715 /nfs/dbraw/zinc/58/97/15/518589715.db2.gz JCKURDQTRGRJJO-GOSISDBHSA-N 1 3 363.937 2.836 20 0 FFADHO Cc1nn(C)c2ncc(C[NH2+]CC3CCN(c4ccncc4)CC3)cc12 ZINC000570464988 518620183 /nfs/dbraw/zinc/62/01/83/518620183.db2.gz YIGWLFNVPGZLMH-UHFFFAOYSA-N 1 3 350.470 2.678 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)CC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000576519504 518633303 /nfs/dbraw/zinc/63/33/03/518633303.db2.gz HUMPTCWDPOKPRK-HDICACEKSA-N 1 3 353.551 2.647 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000576519504 518633310 /nfs/dbraw/zinc/63/33/10/518633310.db2.gz HUMPTCWDPOKPRK-HDICACEKSA-N 1 3 353.551 2.647 20 0 FFADHO N[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000579374412 518651024 /nfs/dbraw/zinc/65/10/24/518651024.db2.gz REPFZAKDLHRLHT-SJORKVTESA-N 1 3 350.938 2.712 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NCCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000579374412 518651030 /nfs/dbraw/zinc/65/10/30/518651030.db2.gz REPFZAKDLHRLHT-SJORKVTESA-N 1 3 350.938 2.712 20 0 FFADHO CSC1(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCN(C)CC1 ZINC000579419447 518668586 /nfs/dbraw/zinc/66/85/86/518668586.db2.gz KLCMGZDUNOOORJ-MRXNPFEDSA-N 1 3 370.607 2.624 20 0 FFADHO CSC1(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCN(C)CC1 ZINC000579419447 518668592 /nfs/dbraw/zinc/66/85/92/518668592.db2.gz KLCMGZDUNOOORJ-MRXNPFEDSA-N 1 3 370.607 2.624 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000567715026 518671673 /nfs/dbraw/zinc/67/16/73/518671673.db2.gz FJXSGRMGRAVJQE-NUJGCVRESA-N 1 3 364.559 2.820 20 0 FFADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c2ccccc21 ZINC000576626922 518683531 /nfs/dbraw/zinc/68/35/31/518683531.db2.gz TYTPYYWFCRXQGW-CIQXWFTPSA-N 1 3 351.494 2.604 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CNCc2ccccc21 ZINC000567773934 518702134 /nfs/dbraw/zinc/70/21/34/518702134.db2.gz WYQFDJQZUVTTOZ-NRFANRHFSA-N 1 3 351.494 2.984 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000582340813 518704132 /nfs/dbraw/zinc/70/41/32/518704132.db2.gz CCLQFTXJILGSMO-LJQANCHMSA-N 1 3 373.545 2.718 20 0 FFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)CNC[C@@H]3CCCO3)ccc21 ZINC000567785065 518710134 /nfs/dbraw/zinc/71/01/34/518710134.db2.gz VTDHJVWKUIHHPA-IBGZPJMESA-N 1 3 372.513 2.690 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000573548508 518719151 /nfs/dbraw/zinc/71/91/51/518719151.db2.gz ZUANZDUURVOJPR-GOSISDBHSA-N 1 3 350.551 2.674 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000573548508 518719158 /nfs/dbraw/zinc/71/91/58/518719158.db2.gz ZUANZDUURVOJPR-GOSISDBHSA-N 1 3 350.551 2.674 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567820381 518730148 /nfs/dbraw/zinc/73/01/48/518730148.db2.gz JPTKKWBTXXSQNR-PXNSSMCTSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567820381 518730155 /nfs/dbraw/zinc/73/01/55/518730155.db2.gz JPTKKWBTXXSQNR-PXNSSMCTSA-N 1 3 358.530 2.766 20 0 FFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C(C)C ZINC000588304526 518774113 /nfs/dbraw/zinc/77/41/13/518774113.db2.gz XWDMPGNSHGEQQH-UHFFFAOYSA-N 1 3 370.488 2.768 20 0 FFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C(C)C ZINC000588304526 518774119 /nfs/dbraw/zinc/77/41/19/518774119.db2.gz XWDMPGNSHGEQQH-UHFFFAOYSA-N 1 3 370.488 2.768 20 0 FFADHO C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000573708106 518797138 /nfs/dbraw/zinc/79/71/38/518797138.db2.gz NHAKFILVMMGFIJ-QGZVFWFLSA-N 1 3 370.497 2.904 20 0 FFADHO CC(C)OCc1ccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000570843573 518807797 /nfs/dbraw/zinc/80/77/97/518807797.db2.gz IUVDGTSMVKUCGG-SFTDATJTSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@]1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCN(Cc2ccccc2)C1 ZINC000570848244 518809376 /nfs/dbraw/zinc/80/93/76/518809376.db2.gz HDPXMLRXIXSUKR-QFIPXVFZSA-N 1 3 370.541 2.825 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000573905278 518893017 /nfs/dbraw/zinc/89/30/17/518893017.db2.gz HBKAGHJKBWFUIV-QUCCMNQESA-N 1 3 360.546 2.868 20 0 FFADHO [NH3+]C[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)CC12CCOCC2 ZINC000571046502 518901858 /nfs/dbraw/zinc/90/18/58/518901858.db2.gz IRTHWZKPEGJTHN-LJQANCHMSA-N 1 3 367.493 2.848 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccccn3)CC2)CC1 ZINC000568190969 518916554 /nfs/dbraw/zinc/91/65/54/518916554.db2.gz VANGIELDXBPKIV-OAQYLSRUSA-N 1 3 370.541 2.941 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000577119467 518923683 /nfs/dbraw/zinc/92/36/83/518923683.db2.gz GMSSLXWHPRLWSV-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000582805478 518931315 /nfs/dbraw/zinc/93/13/15/518931315.db2.gz PFPKYAKNGJQXFJ-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@H]3CCC[C@H]([NH3+])C3)nc12 ZINC000568249341 518948912 /nfs/dbraw/zinc/94/89/12/518948912.db2.gz NVXWDMZMIXZJTR-KBPBESRZSA-N 1 3 351.292 2.807 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)c2cccs2)CC1 ZINC000577207617 518966748 /nfs/dbraw/zinc/96/67/48/518966748.db2.gz PFZQFUJKWFGMTJ-MRXNPFEDSA-N 1 3 364.559 2.962 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@H](NCCOC[C@H]1CCCO1)c1ccccc1O2 ZINC000577256567 518989359 /nfs/dbraw/zinc/98/93/59/518989359.db2.gz PZRXVRIIJQLROZ-MJGOQNOKSA-N 1 3 360.498 2.760 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000565529890 519003182 /nfs/dbraw/zinc/00/31/82/519003182.db2.gz ZGQDMTBQWCZFRM-CTNGQTDRSA-N 1 3 358.530 2.821 20 0 FFADHO Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCCN1CCN(C)CC1 ZINC000574135918 519004509 /nfs/dbraw/zinc/00/45/09/519004509.db2.gz XNKRCTZKSNCLGW-UHFFFAOYSA-N 1 3 361.559 2.699 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000571269001 519010438 /nfs/dbraw/zinc/01/04/38/519010438.db2.gz HPPDXORNVNFZHE-IEBWSBKVSA-N 1 3 358.530 2.810 20 0 FFADHO CCc1ccc([C@@H](CN2CCOCC2)NCc2ccc(C[NH3+])cc2)cc1 ZINC000565599153 519036794 /nfs/dbraw/zinc/03/67/94/519036794.db2.gz NLUBNEVUFKSDRB-JOCHJYFZSA-N 1 3 353.510 2.871 20 0 FFADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccccc1F ZINC000577386737 519055189 /nfs/dbraw/zinc/05/51/89/519055189.db2.gz YPGYARQMLAFYQW-IBGZPJMESA-N 1 3 358.457 2.951 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000580231086 519072096 /nfs/dbraw/zinc/07/20/96/519072096.db2.gz ODJFNRBCZZKAQL-APWZRJJASA-N 1 3 360.502 2.718 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C[C@H]21 ZINC000571417194 519086980 /nfs/dbraw/zinc/08/69/80/519086980.db2.gz VLBWUKKYKSUAGK-UAFMIMERSA-N 1 3 356.514 2.592 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000568565753 519101640 /nfs/dbraw/zinc/10/16/40/519101640.db2.gz PHOQCZOAIDGYPW-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)c1OC ZINC000583167021 519109231 /nfs/dbraw/zinc/10/92/31/519109231.db2.gz KGXBMENVBLXLDE-OALUTQOASA-N 1 3 362.514 2.870 20 0 FFADHO CC(C)C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)C(=O)NCCN(C)C ZINC000577543122 519132103 /nfs/dbraw/zinc/13/21/03/519132103.db2.gz ZVARLJQWRRQYPY-PPSBMQLTSA-N 1 3 367.484 2.893 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000577589655 519154030 /nfs/dbraw/zinc/15/40/30/519154030.db2.gz CFJYQRDVFPMEGC-SJLPKXTDSA-N 1 3 373.545 2.586 20 0 FFADHO CC[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000568668423 519155817 /nfs/dbraw/zinc/15/58/17/519155817.db2.gz YVSBRHZJILGKSX-FQEVSTJZSA-N 1 3 355.526 2.814 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000590184486 519170489 /nfs/dbraw/zinc/17/04/89/519170489.db2.gz BPUGTXBFZPJRGM-OTWHNJEPSA-N 1 3 365.562 2.647 20 0 FFADHO C[N@H+](CCCNC(=O)Nc1cccc2c1CCNC2)Cc1ccccc1 ZINC000565881399 519178610 /nfs/dbraw/zinc/17/86/10/519178610.db2.gz HLQANSKZKLIFFA-UHFFFAOYSA-N 1 3 352.482 2.976 20 0 FFADHO C[N@@H+](CCCNC(=O)Nc1cccc2c1CCNC2)Cc1ccccc1 ZINC000565881399 519178619 /nfs/dbraw/zinc/17/86/19/519178619.db2.gz HLQANSKZKLIFFA-UHFFFAOYSA-N 1 3 352.482 2.976 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H](N)c1ccccc1 ZINC000565940720 519207685 /nfs/dbraw/zinc/20/76/85/519207685.db2.gz OKDFNVZMGRJBKD-OBUJGBQQSA-N 1 3 369.484 2.971 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574545901 519209919 /nfs/dbraw/zinc/20/99/19/519209919.db2.gz HGUMEQBJUJJYMA-FPOVZHCZSA-N 1 3 356.514 2.609 20 0 FFADHO COc1ccc(Br)cc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000565970459 519223157 /nfs/dbraw/zinc/22/31/57/519223157.db2.gz BNNOFVXYPJDXKM-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO COc1ccc(Br)cc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000565970459 519223159 /nfs/dbraw/zinc/22/31/59/519223159.db2.gz BNNOFVXYPJDXKM-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO COc1ccc(Br)cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000565970459 519223161 /nfs/dbraw/zinc/22/31/61/519223161.db2.gz BNNOFVXYPJDXKM-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000577740051 519231000 /nfs/dbraw/zinc/23/10/00/519231000.db2.gz OKLIKBCBDJEWGS-HXUWFJFHSA-N 1 3 363.571 2.842 20 0 FFADHO C[C@@H](c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1)C(F)(F)F ZINC000583424320 519238984 /nfs/dbraw/zinc/23/89/84/519238984.db2.gz GQTRACHSMMMKRN-AWEZNQCLSA-N 1 3 359.436 2.918 20 0 FFADHO CN(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)C1CC([NH3+])C1 ZINC000568845147 519243128 /nfs/dbraw/zinc/24/31/28/519243128.db2.gz JOHMTLJCGLIDBG-UHFFFAOYSA-N 1 3 366.893 2.766 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCN(C2CC2)C1 ZINC000580632781 519274976 /nfs/dbraw/zinc/27/49/76/519274976.db2.gz AQVMVBYXDZSPOA-HRAATJIYSA-N 1 3 366.509 2.965 20 0 FFADHO [NH3+][C@H]1C[C@H](NCc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000566089261 519291491 /nfs/dbraw/zinc/29/14/91/519291491.db2.gz NZWMMILTQDVSRF-VXKWHMMOSA-N 1 3 351.494 2.878 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2cccc(NC3CCN(Cc4ccncc4)CC3)c2)C1 ZINC000583539232 519299308 /nfs/dbraw/zinc/29/93/08/519299308.db2.gz ZNCZUVBDACKZNE-JOCHJYFZSA-N 1 3 366.509 2.725 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2cccc(NC3CCN(Cc4ccncc4)CC3)c2)C1 ZINC000583539232 519299316 /nfs/dbraw/zinc/29/93/16/519299316.db2.gz ZNCZUVBDACKZNE-JOCHJYFZSA-N 1 3 366.509 2.725 20 0 FFADHO C[C@H](O)C[C@@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000580695463 519306570 /nfs/dbraw/zinc/30/65/70/519306570.db2.gz CDEDXKJBQXQNBO-USNOLKROSA-N 1 3 361.530 2.552 20 0 FFADHO C[C@H](O)C[C@@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000580695463 519306578 /nfs/dbraw/zinc/30/65/78/519306578.db2.gz CDEDXKJBQXQNBO-USNOLKROSA-N 1 3 361.530 2.552 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000583607820 519336603 /nfs/dbraw/zinc/33/66/03/519336603.db2.gz YKECKICYSISGBA-TZIWHRDSSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000583607820 519336609 /nfs/dbraw/zinc/33/66/09/519336609.db2.gz YKECKICYSISGBA-TZIWHRDSSA-N 1 3 372.557 2.880 20 0 FFADHO Cc1ccc(C)c(OC[C@@H](O)CNCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000571910378 519342043 /nfs/dbraw/zinc/34/20/43/519342043.db2.gz UJNIBFDVWOTGRM-NRFANRHFSA-N 1 3 356.510 2.937 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCN1Cc1ccccc1 ZINC000571951143 519360905 /nfs/dbraw/zinc/36/09/05/519360905.db2.gz HVGCDIXEZJEWCO-CWJKEVGVSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCN1Cc1ccccc1 ZINC000571951143 519360911 /nfs/dbraw/zinc/36/09/11/519360911.db2.gz HVGCDIXEZJEWCO-CWJKEVGVSA-N 1 3 370.541 2.775 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000566204852 519367213 /nfs/dbraw/zinc/36/72/13/519367213.db2.gz KLVLRQCVQQPJMI-LNLFQRSKSA-N 1 3 361.505 2.919 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])[C@H]1c1ccccc1 ZINC000578011190 519370944 /nfs/dbraw/zinc/37/09/44/519370944.db2.gz WIMBRWHVZIGRLR-PWRODBHTSA-N 1 3 364.493 2.700 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000574874790 519379378 /nfs/dbraw/zinc/37/93/78/519379378.db2.gz PEVKSSJVBHDWNK-NDXORKPFSA-N 1 3 366.509 2.946 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000569112248 519383879 /nfs/dbraw/zinc/38/38/79/519383879.db2.gz VOFKDUKRFIXJCG-DZGCQCFKSA-N 1 3 358.404 2.685 20 0 FFADHO Cc1cnc(CC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)nc1 ZINC000580928212 519430103 /nfs/dbraw/zinc/43/01/03/519430103.db2.gz GQLCNJSJBNPQRV-GOSISDBHSA-N 1 3 352.482 2.905 20 0 FFADHO [NH3+]CCc1ccccc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000580959501 519448490 /nfs/dbraw/zinc/44/84/90/519448490.db2.gz MKICEWKXOBYLQM-UHFFFAOYSA-N 1 3 361.555 2.669 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000569248007 519452722 /nfs/dbraw/zinc/45/27/22/519452722.db2.gz DWCAEYQAJGOUBF-UHFFFAOYSA-N 1 3 352.482 2.557 20 0 FFADHO CCN1C[C@H](C)N(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000572159983 519473882 /nfs/dbraw/zinc/47/38/82/519473882.db2.gz LIGWKGTZRYIDMA-PMACEKPBSA-N 1 3 372.557 2.530 20 0 FFADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000591030620 519483756 /nfs/dbraw/zinc/48/37/56/519483756.db2.gz OPNMDZOVQBKPPB-HXUWFJFHSA-N 1 3 373.545 2.781 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C(C)C)C(F)(F)F)CC2)CC1 ZINC000575071014 519483816 /nfs/dbraw/zinc/48/38/16/519483816.db2.gz LNGKTMHLRPCHLW-INIZCTEOSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@H](C)O1 ZINC000575074459 519485475 /nfs/dbraw/zinc/48/54/75/519485475.db2.gz JDKUWWJQDVMYNF-HOTGVXAUSA-N 1 3 358.486 2.991 20 0 FFADHO COc1ccc([C@@H](CCn2cncn2)NCc2ccc(C[NH3+])cc2)cc1 ZINC000569341319 519501314 /nfs/dbraw/zinc/50/13/14/519501314.db2.gz PAKUCMFFNODOEC-HXUWFJFHSA-N 1 3 351.454 2.667 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572226106 519505076 /nfs/dbraw/zinc/50/50/76/519505076.db2.gz ADEKEHHOGJWZRL-ZCNNSNEGSA-N 1 3 356.514 2.511 20 0 FFADHO C[C@H](CCNCCN1C(=O)c2ccccc2C1=O)[N@H+](C)Cc1ccccc1 ZINC000572232224 519509753 /nfs/dbraw/zinc/50/97/53/519509753.db2.gz TUWJLZBWRDQHMJ-QGZVFWFLSA-N 1 3 365.477 2.783 20 0 FFADHO C[C@H](CCNCCN1C(=O)c2ccccc2C1=O)[N@@H+](C)Cc1ccccc1 ZINC000572232224 519509761 /nfs/dbraw/zinc/50/97/61/519509761.db2.gz TUWJLZBWRDQHMJ-QGZVFWFLSA-N 1 3 365.477 2.783 20 0 FFADHO C[C@H](OCCCNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000581072220 519509717 /nfs/dbraw/zinc/50/97/17/519509717.db2.gz ZUVPIXKCDHMAND-SESVDKBCSA-N 1 3 373.541 2.592 20 0 FFADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CNCCC1(F)F ZINC000578304141 519522444 /nfs/dbraw/zinc/52/24/44/519522444.db2.gz SBOSZVPWYUMBPA-QGZVFWFLSA-N 1 3 366.456 2.834 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578425129 519585030 /nfs/dbraw/zinc/58/50/30/519585030.db2.gz LFWHFKVZRKTQRE-APWZRJJASA-N 1 3 362.543 2.670 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000578425086 519585158 /nfs/dbraw/zinc/58/51/58/519585158.db2.gz GUVNEEIJKNHVCT-GVDBMIGSSA-N 1 3 364.559 2.900 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578425131 519585325 /nfs/dbraw/zinc/58/53/25/519585325.db2.gz LFWHFKVZRKTQRE-QFBILLFUSA-N 1 3 362.543 2.670 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)COC1CCC([NH3+])CC1 ZINC000572400267 519596091 /nfs/dbraw/zinc/59/60/91/519596091.db2.gz ZVUYQVDSFNYIBN-MWXLCCTBSA-N 1 3 373.541 2.644 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000569559381 519610229 /nfs/dbraw/zinc/61/02/29/519610229.db2.gz WRQMBOWRQOCJJF-ZWKOTPCHSA-N 1 3 350.551 2.849 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594736106 520123298 /nfs/dbraw/zinc/12/32/98/520123298.db2.gz PRAIUTDAXTXRKO-VQIMIIECSA-N 1 3 360.498 2.839 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000594976508 520238452 /nfs/dbraw/zinc/23/84/52/520238452.db2.gz MNLVRQRKKZJCDF-LSTHTHJFSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000594976508 520238455 /nfs/dbraw/zinc/23/84/55/520238455.db2.gz MNLVRQRKKZJCDF-LSTHTHJFSA-N 1 3 356.514 2.605 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000595025554 520260732 /nfs/dbraw/zinc/26/07/32/520260732.db2.gz LPCXTCWHKXPIHT-LJQANCHMSA-N 1 3 358.530 2.554 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000595025554 520260735 /nfs/dbraw/zinc/26/07/35/520260735.db2.gz LPCXTCWHKXPIHT-LJQANCHMSA-N 1 3 358.530 2.554 20 0 FFADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000595031761 520262449 /nfs/dbraw/zinc/26/24/49/520262449.db2.gz CRBUWTJCMCKONY-VQIMIIECSA-N 1 3 362.514 2.711 20 0 FFADHO C[C@H](CSCCF)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000595042581 520267126 /nfs/dbraw/zinc/26/71/26/520267126.db2.gz APYBOVNQZGDJDU-OAHLLOKOSA-N 1 3 367.534 2.565 20 0 FFADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000595066125 520276373 /nfs/dbraw/zinc/27/63/73/520276373.db2.gz CJZRTFMIIAEZDS-LPHOPBHVSA-N 1 3 362.514 2.711 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc([S@](C)=O)cc1 ZINC000595069813 520279876 /nfs/dbraw/zinc/27/98/76/520279876.db2.gz LDQHHXHXJRDMPK-FTVBGQFJSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc([S@](C)=O)cc1 ZINC000595069813 520279887 /nfs/dbraw/zinc/27/98/87/520279887.db2.gz LDQHHXHXJRDMPK-FTVBGQFJSA-N 1 3 372.534 2.841 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000592492998 520417175 /nfs/dbraw/zinc/41/71/75/520417175.db2.gz LFYJAXKOWHCSMX-ZWKOTPCHSA-N 1 3 372.513 2.663 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)cc2)C1 ZINC000604169463 520467011 /nfs/dbraw/zinc/46/70/11/520467011.db2.gz XLDJWHRWXBHNCC-PXNSSMCTSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)cc2)C1 ZINC000604169463 520467021 /nfs/dbraw/zinc/46/70/21/520467021.db2.gz XLDJWHRWXBHNCC-PXNSSMCTSA-N 1 3 370.541 2.954 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604174242 520468727 /nfs/dbraw/zinc/46/87/27/520468727.db2.gz KKNYZLRLNBNNRA-GHTZIAJQSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604174242 520468729 /nfs/dbraw/zinc/46/87/29/520468729.db2.gz KKNYZLRLNBNNRA-GHTZIAJQSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000617504616 520537449 /nfs/dbraw/zinc/53/74/49/520537449.db2.gz BVTXJHLOYCXKRI-ZDUSSCGKSA-N 1 3 350.894 2.823 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000617504616 520537458 /nfs/dbraw/zinc/53/74/58/520537458.db2.gz BVTXJHLOYCXKRI-ZDUSSCGKSA-N 1 3 350.894 2.823 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000617502631 520537576 /nfs/dbraw/zinc/53/75/76/520537576.db2.gz WSQFTUFVCOTOOE-FUHWJXTLSA-N 1 3 361.530 2.720 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000617502631 520537584 /nfs/dbraw/zinc/53/75/84/520537584.db2.gz WSQFTUFVCOTOOE-FUHWJXTLSA-N 1 3 361.530 2.720 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Cl)c2ccccc2n1C ZINC000617505282 520542834 /nfs/dbraw/zinc/54/28/34/520542834.db2.gz ZVNIXDHOZHOBEA-AWEZNQCLSA-N 1 3 364.921 2.834 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Cl)c2ccccc2n1C ZINC000617505282 520542843 /nfs/dbraw/zinc/54/28/43/520542843.db2.gz ZVNIXDHOZHOBEA-AWEZNQCLSA-N 1 3 364.921 2.834 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1scnc1C1CCCC1 ZINC000617507168 520545346 /nfs/dbraw/zinc/54/53/46/520545346.db2.gz LCCRDBCWIFFVTF-AWEZNQCLSA-N 1 3 352.548 2.803 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1scnc1C1CCCC1 ZINC000617507168 520545355 /nfs/dbraw/zinc/54/53/55/520545355.db2.gz LCCRDBCWIFFVTF-AWEZNQCLSA-N 1 3 352.548 2.803 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000613664905 520611251 /nfs/dbraw/zinc/61/12/51/520611251.db2.gz IOEGLDHLFXXOHK-RCCFBDPRSA-N 1 3 365.468 2.743 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604826646 520687099 /nfs/dbraw/zinc/68/70/99/520687099.db2.gz GGYQYDZKGCEICG-SFHVURJKSA-N 1 3 363.550 2.521 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cscn3)CC2)CC1 ZINC000617822303 520736850 /nfs/dbraw/zinc/73/68/50/520736850.db2.gz LCFFLRNMFQGJFC-CQSZACIVSA-N 1 3 350.532 2.517 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000605373682 520848669 /nfs/dbraw/zinc/84/86/69/520848669.db2.gz ZIMMPZDVPMWPBL-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614343700 520917473 /nfs/dbraw/zinc/91/74/73/520917473.db2.gz YDTUYYDBPPUYLR-NHCUHLMSSA-N 1 3 357.542 2.884 20 0 FFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614343700 520917479 /nfs/dbraw/zinc/91/74/79/520917479.db2.gz YDTUYYDBPPUYLR-NHCUHLMSSA-N 1 3 357.542 2.884 20 0 FFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000598964777 520947338 /nfs/dbraw/zinc/94/73/38/520947338.db2.gz RKGWZAIEFUFVBA-GJZGRUSLSA-N 1 3 365.518 2.787 20 0 FFADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000606618341 521107600 /nfs/dbraw/zinc/10/76/00/521107600.db2.gz UKUVTEINTBTHGY-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000606622220 521109008 /nfs/dbraw/zinc/10/90/08/521109008.db2.gz ZUHRULDKDRUFSL-OXJNMPFZSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606635074 521116544 /nfs/dbraw/zinc/11/65/44/521116544.db2.gz JPQASYOMFBVMPK-GOSISDBHSA-N 1 3 372.557 2.723 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCC[C@H]1C ZINC000606638611 521117527 /nfs/dbraw/zinc/11/75/27/521117527.db2.gz RIRAPPDDAQTDNX-QYZOEREBSA-N 1 3 350.551 2.909 20 0 FFADHO CCN(C)C[C@@H]1CC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599316210 521147103 /nfs/dbraw/zinc/14/71/03/521147103.db2.gz MSMWKPRDJLXOKP-VXESANQCSA-N 1 3 354.535 2.523 20 0 FFADHO CCN(C)C[C@@H]1CC[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599316210 521147111 /nfs/dbraw/zinc/14/71/11/521147111.db2.gz MSMWKPRDJLXOKP-VXESANQCSA-N 1 3 354.535 2.523 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599316210 521147121 /nfs/dbraw/zinc/14/71/21/521147121.db2.gz MSMWKPRDJLXOKP-VXESANQCSA-N 1 3 354.535 2.523 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000599316210 521147131 /nfs/dbraw/zinc/14/71/31/521147131.db2.gz MSMWKPRDJLXOKP-VXESANQCSA-N 1 3 354.535 2.523 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cccc(OC3CC3)c2F)CC[NH2+]CC1 ZINC000596648160 521187546 /nfs/dbraw/zinc/18/75/46/521187546.db2.gz JXQLOTWACSTRRS-AWEZNQCLSA-N 1 3 364.461 2.778 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N2CCCN(C)CC2)c2cccs2)CC1 ZINC000611663767 521272088 /nfs/dbraw/zinc/27/20/88/521272088.db2.gz XZBMWUWMEOULQT-KRWDZBQOSA-N 1 3 364.559 2.868 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000607183544 521289706 /nfs/dbraw/zinc/28/97/06/521289706.db2.gz IYQVOHFVUVXRMM-RXVVDRJESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000607183544 521289710 /nfs/dbraw/zinc/28/97/10/521289710.db2.gz IYQVOHFVUVXRMM-RXVVDRJESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000618930522 521304980 /nfs/dbraw/zinc/30/49/80/521304980.db2.gz ONXOHEUAWKTUGE-PXNSSMCTSA-N 1 3 358.530 2.805 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000599580836 521310777 /nfs/dbraw/zinc/31/07/77/521310777.db2.gz GXAFPTNMAMLOKU-MOPGFXCFSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000599580836 521310782 /nfs/dbraw/zinc/31/07/82/521310782.db2.gz GXAFPTNMAMLOKU-MOPGFXCFSA-N 1 3 367.578 2.702 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000619360657 521535517 /nfs/dbraw/zinc/53/55/17/521535517.db2.gz LMYGHMSROFQCEB-RTBURBONSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000619360657 521535521 /nfs/dbraw/zinc/53/55/21/521535521.db2.gz LMYGHMSROFQCEB-RTBURBONSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000612303617 521569213 /nfs/dbraw/zinc/56/92/13/521569213.db2.gz JJXOFHOJOMYUEP-QFUCXCTJSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000612303617 521569220 /nfs/dbraw/zinc/56/92/20/521569220.db2.gz JJXOFHOJOMYUEP-QFUCXCTJSA-N 1 3 355.526 2.540 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(SC)CCC3)CC2)CC1 ZINC000594348395 521570784 /nfs/dbraw/zinc/57/07/84/521570784.db2.gz RCSPDINEFUBFCG-UHFFFAOYSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000635004394 521859982 /nfs/dbraw/zinc/85/99/82/521859982.db2.gz DWZRCGPREYZWLL-YJBOKZPZSA-N 1 3 361.511 2.669 20 0 FFADHO COc1ccccc1NC(=O)C[C@@H](C)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635004329 521861505 /nfs/dbraw/zinc/86/15/05/521861505.db2.gz HZXNAMTWKVNLKJ-AEFFLSMTSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635004329 521861513 /nfs/dbraw/zinc/86/15/13/521861513.db2.gz HZXNAMTWKVNLKJ-AEFFLSMTSA-N 1 3 355.482 2.962 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccsc3Br)C2)CC1 ZINC000623416330 522005780 /nfs/dbraw/zinc/00/57/80/522005780.db2.gz RCWOCRPKLBMZTP-CYBMUJFWSA-N 1 3 358.349 2.769 20 0 FFADHO CN1CCC([N@@H+]2CC[C@@H](NCc3ccsc3Br)C2)CC1 ZINC000623416330 522005787 /nfs/dbraw/zinc/00/57/87/522005787.db2.gz RCWOCRPKLBMZTP-CYBMUJFWSA-N 1 3 358.349 2.769 20 0 FFADHO CN1CCC([N@H+]2CC[C@@H](NCc3ccsc3Br)C2)CC1 ZINC000623416330 522005792 /nfs/dbraw/zinc/00/57/92/522005792.db2.gz RCWOCRPKLBMZTP-CYBMUJFWSA-N 1 3 358.349 2.769 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623476568 522054034 /nfs/dbraw/zinc/05/40/34/522054034.db2.gz FWDPZMJCHRYLCN-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623476568 522054042 /nfs/dbraw/zinc/05/40/42/522054042.db2.gz FWDPZMJCHRYLCN-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)c2ccccc2OCCN(C)C)([NH+](C)C)C1 ZINC000620206733 522119815 /nfs/dbraw/zinc/11/98/15/522119815.db2.gz MWZVNMMHXBWQHA-DYESRHJHSA-N 1 3 361.530 2.867 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629514437 522292799 /nfs/dbraw/zinc/29/27/99/522292799.db2.gz ZWCAMYQUNQZZKZ-BZNIZROVSA-N 1 3 366.303 2.762 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000629516568 522294769 /nfs/dbraw/zinc/29/47/69/522294769.db2.gz KOZKXJQXHQXDFN-XLIONFOSSA-N 1 3 358.530 2.594 20 0 FFADHO COC[C@@H](CCC[NH3+])NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629520418 522296510 /nfs/dbraw/zinc/29/65/10/522296510.db2.gz VVKJFWPKCACQNY-NQIIRXRSSA-N 1 3 367.493 2.727 20 0 FFADHO [NH3+]C1(CN[C@H](Cc2ccccc2Br)C2CC2)CCOCC1 ZINC000629520019 522296769 /nfs/dbraw/zinc/29/67/69/522296769.db2.gz JVAAQUXXIFFXIJ-MRXNPFEDSA-N 1 3 353.304 2.868 20 0 FFADHO CN1CCC(N2CC[C@H]([NH2+]CC3(O)CCC(c4ccccc4)CC3)C2)CC1 ZINC000629565361 522320044 /nfs/dbraw/zinc/32/00/44/522320044.db2.gz WIKWEDXOVRUOOW-QKDPSFTKSA-N 1 3 371.569 2.833 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)N2CCCC2)c1 ZINC000635527388 522336033 /nfs/dbraw/zinc/33/60/33/522336033.db2.gz ILXJBEFUURUIDU-YVWKXTFCSA-N 1 3 374.529 2.649 20 0 FFADHO C[N@@H+]1CC[C@@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1(C)C ZINC000623932105 522375463 /nfs/dbraw/zinc/37/54/63/522375463.db2.gz ZXFITRLRHKNEGC-LJQANCHMSA-N 1 3 358.530 2.669 20 0 FFADHO C[N@H+]1CC[C@@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1(C)C ZINC000623932105 522375471 /nfs/dbraw/zinc/37/54/71/522375471.db2.gz ZXFITRLRHKNEGC-LJQANCHMSA-N 1 3 358.530 2.669 20 0 FFADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc12 ZINC000626856833 522492831 /nfs/dbraw/zinc/49/28/31/522492831.db2.gz IERNGUKGDOGXLX-UHFFFAOYSA-N 1 3 358.486 2.806 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000633142863 522551901 /nfs/dbraw/zinc/55/19/01/522551901.db2.gz GIYHWLDQNLGIBP-RTBURBONSA-N 1 3 358.530 2.948 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620970222 522552847 /nfs/dbraw/zinc/55/28/47/522552847.db2.gz NGBBKCYWXHSZQB-INIZCTEOSA-N 1 3 373.497 2.677 20 0 FFADHO C[C@](O)(C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)C1CC1 ZINC000630041514 522600690 /nfs/dbraw/zinc/60/06/90/522600690.db2.gz NGEVKUAXXISGGT-SNJCGAMXSA-N 1 3 372.553 2.885 20 0 FFADHO C[C@](O)(C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)C1CC1 ZINC000630041514 522600700 /nfs/dbraw/zinc/60/07/00/522600700.db2.gz NGEVKUAXXISGGT-SNJCGAMXSA-N 1 3 372.553 2.885 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000627037243 522608036 /nfs/dbraw/zinc/60/80/36/522608036.db2.gz DHEQFQAMINLLSN-OTWHNJEPSA-N 1 3 362.518 2.516 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC(C)C)cc1 ZINC000624649627 522842100 /nfs/dbraw/zinc/84/21/00/522842100.db2.gz SHLZCYUFUXNTDK-LJQANCHMSA-N 1 3 361.530 2.962 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC(C)C)cc1 ZINC000624649627 522842113 /nfs/dbraw/zinc/84/21/13/522842113.db2.gz SHLZCYUFUXNTDK-LJQANCHMSA-N 1 3 361.530 2.962 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000630577877 522944950 /nfs/dbraw/zinc/94/49/50/522944950.db2.gz BEPYAGKGMKUKLR-DZGCQCFKSA-N 1 3 358.408 2.739 20 0 FFADHO CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000627618808 522964091 /nfs/dbraw/zinc/96/40/91/522964091.db2.gz IIWLMTWWWHBYSV-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO C[C@@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000636553656 523063115 /nfs/dbraw/zinc/06/31/15/523063115.db2.gz CNBWDQKHJWQXAL-CVEARBPZSA-N 1 3 362.522 2.534 20 0 FFADHO C[C@@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[N@H+]1CCCC[C@H]1C ZINC000636553656 523063122 /nfs/dbraw/zinc/06/31/22/523063122.db2.gz CNBWDQKHJWQXAL-CVEARBPZSA-N 1 3 362.522 2.534 20 0 FFADHO CC1CC[NH+](Cc2ccc(NC(=O)c3cnn(CCN(C)C)c3)cc2)CC1 ZINC000630756201 523107416 /nfs/dbraw/zinc/10/74/16/523107416.db2.gz ULBRACNOSXWQTB-UHFFFAOYSA-N 1 3 369.513 2.929 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000631111645 523389954 /nfs/dbraw/zinc/38/99/54/523389954.db2.gz UQMJHSXYIDVEJX-OAQYLSRUSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000631111645 523389965 /nfs/dbraw/zinc/38/99/65/523389965.db2.gz UQMJHSXYIDVEJX-OAQYLSRUSA-N 1 3 353.466 2.501 20 0 FFADHO Cn1nc2c(c1C[NH2+]CC1CCN(Cc3ccncc3)CC1)CCCC2 ZINC000631172813 523434301 /nfs/dbraw/zinc/43/43/01/523434301.db2.gz VPHVXWGLIVTQTC-UHFFFAOYSA-N 1 3 353.514 2.696 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCc3ccccc3)CC2)CC1 ZINC000622860686 523514609 /nfs/dbraw/zinc/51/46/09/523514609.db2.gz UJRAHXURYZZGBQ-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CCSCC2)CC1 ZINC000637262759 523519481 /nfs/dbraw/zinc/51/94/81/523519481.db2.gz CJIYFQSGOITLJW-KRWDZBQOSA-N 1 3 370.607 2.577 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CCSCC2)CC1 ZINC000637262759 523519491 /nfs/dbraw/zinc/51/94/91/523519491.db2.gz CJIYFQSGOITLJW-KRWDZBQOSA-N 1 3 370.607 2.577 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000634679584 523579615 /nfs/dbraw/zinc/57/96/15/523579615.db2.gz ZDUWPCLJENMTNW-SFHVURJKSA-N 1 3 350.503 2.691 20 0 FFADHO Cc1cc(NC(=O)CCN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471857228 561013132 /nfs/dbraw/zinc/01/31/32/561013132.db2.gz OERWWELBHGBZCO-MOPGFXCFSA-N 1 3 370.497 2.984 20 0 FFADHO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)no1 ZINC000471857228 561013133 /nfs/dbraw/zinc/01/31/33/561013133.db2.gz OERWWELBHGBZCO-MOPGFXCFSA-N 1 3 370.497 2.984 20 0 FFADHO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)no1 ZINC000471857228 561013134 /nfs/dbraw/zinc/01/31/34/561013134.db2.gz OERWWELBHGBZCO-MOPGFXCFSA-N 1 3 370.497 2.984 20 0 FFADHO CCN1CCC(Nc2ncc(Cl)c(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000531760282 562455763 /nfs/dbraw/zinc/45/57/63/562455763.db2.gz GPIBCFUVWDPUMX-UHFFFAOYSA-N 1 3 366.941 2.922 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000669128397 568096502 /nfs/dbraw/zinc/09/65/02/568096502.db2.gz ICHZQHABXAIVRG-HLAWJBBLSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000669128397 568096503 /nfs/dbraw/zinc/09/65/03/568096503.db2.gz ICHZQHABXAIVRG-HLAWJBBLSA-N 1 3 357.542 2.882 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000077455238 728275469 /nfs/dbraw/zinc/27/54/69/728275469.db2.gz VJPFQLZHBXIEGS-SFHVURJKSA-N 1 3 350.409 2.728 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c2cccs2)CC1 ZINC000195122136 729529751 /nfs/dbraw/zinc/52/97/51/729529751.db2.gz RDKYWQKHPVNAKD-IRXDYDNUSA-N 1 3 364.559 2.915 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)c2cccs2)CC1 ZINC000195122136 729529753 /nfs/dbraw/zinc/52/97/53/729529753.db2.gz RDKYWQKHPVNAKD-IRXDYDNUSA-N 1 3 364.559 2.915 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000292088344 729719273 /nfs/dbraw/zinc/71/92/73/729719273.db2.gz GMSJCIQGEMVPSQ-RHSMWYFYSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000292088344 729719276 /nfs/dbraw/zinc/71/92/76/729719276.db2.gz GMSJCIQGEMVPSQ-RHSMWYFYSA-N 1 3 359.297 2.761 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c2cccs2)CC1 ZINC000333886347 729812195 /nfs/dbraw/zinc/81/21/95/729812195.db2.gz FWWJCEKCGWTYEB-IXDOHACOSA-N 1 3 364.559 2.900 20 0 FFADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423366886 729861247 /nfs/dbraw/zinc/86/12/47/729861247.db2.gz CKBUEOFSDDYUEF-JQHSSLGASA-N 1 3 365.543 2.782 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CC1(F)F ZINC000638871024 730049692 /nfs/dbraw/zinc/04/96/92/730049692.db2.gz IXWCOARPCDDDNP-YOEHRIQHSA-N 1 3 351.441 2.646 20 0 FFADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638976875 730053956 /nfs/dbraw/zinc/05/39/56/730053956.db2.gz FZGJYNKNFBPTTL-UHFFFAOYSA-N 1 3 367.559 2.668 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000639919844 730110407 /nfs/dbraw/zinc/11/04/07/730110407.db2.gz VVYXVFCHFNDBDB-IBGZPJMESA-N 1 3 371.928 2.908 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644514803 730477791 /nfs/dbraw/zinc/47/77/91/730477791.db2.gz COKVBCRAKCMHQI-CQSZACIVSA-N 1 3 359.297 2.950 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862366943 730692634 /nfs/dbraw/zinc/69/26/34/730692634.db2.gz PEBYVAGVNNIVPT-HUUCEWRRSA-N 1 3 361.477 2.951 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862366943 730692636 /nfs/dbraw/zinc/69/26/36/730692636.db2.gz PEBYVAGVNNIVPT-HUUCEWRRSA-N 1 3 361.477 2.951 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368792 730692996 /nfs/dbraw/zinc/69/29/96/730692996.db2.gz NINYOCSDJLRGDX-RBSFLKMASA-N 1 3 361.477 2.903 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368792 730692997 /nfs/dbraw/zinc/69/29/97/730692997.db2.gz NINYOCSDJLRGDX-RBSFLKMASA-N 1 3 361.477 2.903 20 0 FFADHO C[C@]1(CO)CCC[N@H+]1Cc1ccc(F)c(CN2CCC[C@@]2(C)CO)c1 ZINC000649441804 730885197 /nfs/dbraw/zinc/88/51/97/730885197.db2.gz OYWFCSNWRQHUBM-UXHICEINSA-N 1 3 350.478 2.519 20 0 FFADHO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(F)c(CN2CCC[C@@]2(C)CO)c1 ZINC000649441804 730885199 /nfs/dbraw/zinc/88/51/99/730885199.db2.gz OYWFCSNWRQHUBM-UXHICEINSA-N 1 3 350.478 2.519 20 0 FFADHO C[C@]1(CO)CCCN1Cc1cc(C[N@@H+]2CCC[C@@]2(C)CO)ccc1F ZINC000649441805 730885234 /nfs/dbraw/zinc/88/52/34/730885234.db2.gz OYWFCSNWRQHUBM-VQTJNVASSA-N 1 3 350.478 2.519 20 0 FFADHO C[C@]1(CO)CCCN1Cc1cc(C[N@H+]2CCC[C@@]2(C)CO)ccc1F ZINC000649441805 730885236 /nfs/dbraw/zinc/88/52/36/730885236.db2.gz OYWFCSNWRQHUBM-VQTJNVASSA-N 1 3 350.478 2.519 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)CC(F)(F)F ZINC000865412589 730951760 /nfs/dbraw/zinc/95/17/60/730951760.db2.gz QUMIGOPGHKLYAA-OLZOCXBDSA-N 1 3 365.440 2.906 20 0 FFADHO CCN1CC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417203 730952059 /nfs/dbraw/zinc/95/20/59/730952059.db2.gz BVSGVTKIQXGFJN-CHWSQXEVSA-N 1 3 353.429 2.764 20 0 FFADHO CC[N@@H+]1CC[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417203 730952062 /nfs/dbraw/zinc/95/20/62/730952062.db2.gz BVSGVTKIQXGFJN-CHWSQXEVSA-N 1 3 353.429 2.764 20 0 FFADHO CC[N@H+]1CC[C@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417203 730952065 /nfs/dbraw/zinc/95/20/65/730952065.db2.gz BVSGVTKIQXGFJN-CHWSQXEVSA-N 1 3 353.429 2.764 20 0 FFADHO Cc1ccnc(CNCC2CC[NH+](CCN(C)C)CC2)c1Br ZINC000865451496 730956760 /nfs/dbraw/zinc/95/67/60/730956760.db2.gz PWAGNUCTPVWPCV-UHFFFAOYSA-N 1 3 369.351 2.516 20 0 FFADHO CC[N@H+](CCCNC(=O)N[C@@H](C)C1=CCN(C)CC1)C1CCCCC1 ZINC000651020441 731048004 /nfs/dbraw/zinc/04/80/04/731048004.db2.gz DTCDGNIGBPLUIT-KRWDZBQOSA-N 1 3 350.551 2.981 20 0 FFADHO CC[N@@H+](CCCNC(=O)N[C@@H](C)C1=CCN(C)CC1)C1CCCCC1 ZINC000651020441 731048008 /nfs/dbraw/zinc/04/80/08/731048008.db2.gz DTCDGNIGBPLUIT-KRWDZBQOSA-N 1 3 350.551 2.981 20 0 FFADHO O=S(=O)(CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925484801 738509918 /nfs/dbraw/zinc/50/99/18/738509918.db2.gz ILUYFYRHNWYVFH-PMACEKPBSA-N 1 3 364.555 2.749 20 0 FFADHO CC(C)N(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CCCC1 ZINC000652362457 731187823 /nfs/dbraw/zinc/18/78/23/731187823.db2.gz HSLDQIQMFMKKOF-QXAKKESOSA-N 1 3 351.535 2.527 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653114774 731240565 /nfs/dbraw/zinc/24/05/65/731240565.db2.gz WEJXGMRHQWGNFJ-RBUKOAKNSA-N 1 3 359.539 2.747 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc(Cl)n1 ZINC000868049577 731254664 /nfs/dbraw/zinc/25/46/64/731254664.db2.gz YUERJLMEHPMXFF-XJKSGUPXSA-N 1 3 358.873 2.598 20 0 FFADHO CN(C)[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000656153695 731546430 /nfs/dbraw/zinc/54/64/30/731546430.db2.gz KBCAQKUWARFWRQ-WOVMCDHWSA-N 1 3 352.544 2.688 20 0 FFADHO CC(C)(O)C[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000872200496 731739666 /nfs/dbraw/zinc/73/96/66/731739666.db2.gz JFONBCVJNZBQOG-KRWDZBQOSA-N 1 3 354.922 2.664 20 0 FFADHO C[C@H](NCCCCCN1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000925843602 738535357 /nfs/dbraw/zinc/53/53/57/738535357.db2.gz FVPSJHPBYQRWTQ-LBPRGKRZSA-N 1 3 361.353 2.632 20 0 FFADHO COc1c(C)cc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000925849060 738536161 /nfs/dbraw/zinc/53/61/61/738536161.db2.gz HBZKYKQDDANHAJ-HIFRSBDPSA-N 1 3 366.889 2.993 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657347213 731772339 /nfs/dbraw/zinc/77/23/39/731772339.db2.gz OSWMXTXOKMBISM-AWEZNQCLSA-N 1 3 369.351 2.516 20 0 FFADHO Cc1occc1C(=O)NC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873205806 731890476 /nfs/dbraw/zinc/89/04/76/731890476.db2.gz XKDHAPBWMKLKNH-UHFFFAOYSA-N 1 3 359.495 2.690 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]C3CCC(C(F)(F)F)CC3)c2)nn1 ZINC000873218836 731892622 /nfs/dbraw/zinc/89/26/22/731892622.db2.gz SQGVUBSSQABKDY-UHFFFAOYSA-N 1 3 353.392 2.937 20 0 FFADHO NC1(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC2(CCC2)C1 ZINC000659285356 731958763 /nfs/dbraw/zinc/95/87/63/731958763.db2.gz MMALBGVQMZJKPM-UHFFFAOYSA-N 1 3 359.539 2.878 20 0 FFADHO [NH3+]C1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC2(CCC2)C1 ZINC000659284429 731958930 /nfs/dbraw/zinc/95/89/30/731958930.db2.gz DOEXHRRVBFUNBX-UHFFFAOYSA-N 1 3 351.560 2.516 20 0 FFADHO NC1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC2(CCC2)C1 ZINC000659284429 731958933 /nfs/dbraw/zinc/95/89/33/731958933.db2.gz DOEXHRRVBFUNBX-UHFFFAOYSA-N 1 3 351.560 2.516 20 0 FFADHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660660682 732130932 /nfs/dbraw/zinc/13/09/32/732130932.db2.gz AJYHAECQKWQCLD-LPHOPBHVSA-N 1 3 352.906 2.806 20 0 FFADHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660660682 732130935 /nfs/dbraw/zinc/13/09/35/732130935.db2.gz AJYHAECQKWQCLD-LPHOPBHVSA-N 1 3 352.906 2.806 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000876723044 732272342 /nfs/dbraw/zinc/27/23/42/732272342.db2.gz LSAPCBGUDYBCEM-KGLIPLIRSA-N 1 3 364.559 2.911 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc(Cl)n1 ZINC000877193276 732333195 /nfs/dbraw/zinc/33/31/95/732333195.db2.gz YUZOUXAYDDWBJE-MRXNPFEDSA-N 1 3 364.921 2.768 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662732171 732350241 /nfs/dbraw/zinc/35/02/41/732350241.db2.gz LSRXLLKAXGAPJI-UHFFFAOYSA-N 1 3 351.560 2.529 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC000664970065 732654068 /nfs/dbraw/zinc/65/40/68/732654068.db2.gz KIRXJWPPXIGIBI-WMZOPIPTSA-N 1 3 364.559 2.747 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000664970065 732654070 /nfs/dbraw/zinc/65/40/70/732654070.db2.gz KIRXJWPPXIGIBI-WMZOPIPTSA-N 1 3 364.559 2.747 20 0 FFADHO Cc1nc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000665761934 732752845 /nfs/dbraw/zinc/75/28/45/732752845.db2.gz VHOGRKAEXGMSRI-WMLDXEAASA-N 1 3 367.563 2.570 20 0 FFADHO Cc1nc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000665761934 732752848 /nfs/dbraw/zinc/75/28/48/732752848.db2.gz VHOGRKAEXGMSRI-WMLDXEAASA-N 1 3 367.563 2.570 20 0 FFADHO CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665948486 732777399 /nfs/dbraw/zinc/77/73/99/732777399.db2.gz CAKJZAZJUXLBEO-JKSUJKDBSA-N 1 3 350.507 2.788 20 0 FFADHO CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665948486 732777401 /nfs/dbraw/zinc/77/74/01/732777401.db2.gz CAKJZAZJUXLBEO-JKSUJKDBSA-N 1 3 350.507 2.788 20 0 FFADHO NC1(C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCC1 ZINC000666827625 732903829 /nfs/dbraw/zinc/90/38/29/732903829.db2.gz PPQVFADCCJGXNK-UHFFFAOYSA-N 1 3 358.511 2.618 20 0 FFADHO COc1ccc(C[C@H](C)C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1F ZINC000668738741 733158953 /nfs/dbraw/zinc/15/89/53/733158953.db2.gz FTVUODSHPREZJB-MAUKXSAKSA-N 1 3 350.478 2.544 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669573420 733248248 /nfs/dbraw/zinc/24/82/48/733248248.db2.gz IJJRSXVOACMZMT-KURKYZTESA-N 1 3 350.551 2.528 20 0 FFADHO CN(CCCN(C)Cc1ccc(Br)cc1F)CC[NH+](C)C ZINC000677221255 733925996 /nfs/dbraw/zinc/92/59/96/733925996.db2.gz XRCVEGKYWFFMDY-UHFFFAOYSA-N 1 3 360.315 2.904 20 0 FFADHO CCN1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)(C(F)(F)F)CC1 ZINC000891212667 734396813 /nfs/dbraw/zinc/39/68/13/734396813.db2.gz ZDFGAFDRWSSSJI-HNNXBMFYSA-N 1 3 367.431 2.732 20 0 FFADHO CCN1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)(C(F)(F)F)CC1 ZINC000891212667 734396816 /nfs/dbraw/zinc/39/68/16/734396816.db2.gz ZDFGAFDRWSSSJI-HNNXBMFYSA-N 1 3 367.431 2.732 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)N(C)C)cc1 ZINC000891922040 734495205 /nfs/dbraw/zinc/49/52/05/734495205.db2.gz BZZCUUVJRCHLGM-LNLFQRSKSA-N 1 3 362.543 2.595 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892448529 734560320 /nfs/dbraw/zinc/56/03/20/734560320.db2.gz UEXFGCLGKUYDMG-RZDIXWSQSA-N 1 3 366.937 2.931 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(C2CCC(C)CC2)CC1 ZINC000734381692 734893376 /nfs/dbraw/zinc/89/33/76/734893376.db2.gz VIMBBUQDPUDDIS-DAWZGUTISA-N 1 3 352.592 2.542 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(C2CCC(C)CC2)CC1 ZINC000734381692 734893378 /nfs/dbraw/zinc/89/33/78/734893378.db2.gz VIMBBUQDPUDDIS-DAWZGUTISA-N 1 3 352.592 2.542 20 0 FFADHO COc1cc(Br)cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000896807889 735184296 /nfs/dbraw/zinc/18/42/96/735184296.db2.gz PWOQPRVUECCMCU-UHFFFAOYSA-N 1 3 371.319 2.783 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NCCNC(=O)c2cccc(Br)c2)C1 ZINC000902364313 735937441 /nfs/dbraw/zinc/93/74/41/735937441.db2.gz RSPHBDNKZMFBJK-HNNXBMFYSA-N 1 3 368.319 2.547 20 0 FFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C3(O)CCOCC3)CC2)CC1 ZINC000903349624 736078923 /nfs/dbraw/zinc/07/89/23/736078923.db2.gz JKYYUZOJSOCGNV-PKOBYXMFSA-N 1 3 350.547 2.941 20 0 FFADHO COC(=O)c1cnc([C@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)s1 ZINC000904389955 736248335 /nfs/dbraw/zinc/24/83/35/736248335.db2.gz ZJVZYVMKDZZSFO-NSHDSACASA-N 1 3 363.508 2.626 20 0 FFADHO CC[NH+]1CCC(NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000766528907 737238340 /nfs/dbraw/zinc/23/83/40/737238340.db2.gz MGGRVWIUUKCKHN-GOEBONIOSA-N 1 3 355.523 2.821 20 0 FFADHO CC1CCN([C@H](CNC(=S)NCCC[NH+](C)C)c2cccs2)CC1 ZINC000916546145 737710066 /nfs/dbraw/zinc/71/00/66/737710066.db2.gz QDXJNBHLIXINMO-MRXNPFEDSA-N 1 3 368.616 2.937 20 0 FFADHO CC[NH+](CC)CC1CCN(C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000917060503 737739078 /nfs/dbraw/zinc/73/90/78/737739078.db2.gz ZHHNIWTUDWPKRF-LJQANCHMSA-N 1 3 350.503 2.791 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccco3)s1)C2 ZINC000922389181 738135501 /nfs/dbraw/zinc/13/55/01/738135501.db2.gz HRNOYKUJTPCUPE-RRIFGTCXSA-N 1 3 361.511 2.972 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccco3)s1)C2 ZINC000922389181 738135504 /nfs/dbraw/zinc/13/55/04/738135504.db2.gz HRNOYKUJTPCUPE-RRIFGTCXSA-N 1 3 361.511 2.972 20 0 FFADHO c1cc2ncnc(N3CCN(CCC4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)c2s1 ZINC000923323322 738271284 /nfs/dbraw/zinc/27/12/84/738271284.db2.gz RKKBPCNRMNCLFC-MQVJKMGUSA-N 1 3 357.527 2.734 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4scnc4c3)CC2)CC1 ZINC000931217639 739229108 /nfs/dbraw/zinc/22/91/08/739229108.db2.gz VTGMSIKZWHOTGL-UHFFFAOYSA-N 1 3 358.511 2.585 20 0 FFADHO Cc1csc(CNC2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000963337564 740651180 /nfs/dbraw/zinc/65/11/80/740651180.db2.gz AEQLDQVSOFKNDY-RDHHWEPZSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1csc(CNC2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000963337564 740651182 /nfs/dbraw/zinc/65/11/82/740651182.db2.gz AEQLDQVSOFKNDY-RDHHWEPZSA-N 1 3 364.559 2.651 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000811713177 741551813 /nfs/dbraw/zinc/55/18/13/741551813.db2.gz ULUVGFWHALHXPW-QGZVFWFLSA-N 1 3 362.587 2.844 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000811713177 741551818 /nfs/dbraw/zinc/55/18/18/741551818.db2.gz ULUVGFWHALHXPW-QGZVFWFLSA-N 1 3 362.587 2.844 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccc(F)cc1F ZINC000818984811 742320824 /nfs/dbraw/zinc/32/08/24/742320824.db2.gz LTKAVMRHTIFCSJ-SFHVURJKSA-N 1 3 350.409 2.728 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)c2cccc(Br)c2)CCCO1 ZINC000819266171 742364160 /nfs/dbraw/zinc/36/41/60/742364160.db2.gz WSMWVRVIYACZHR-RHSMWYFYSA-N 1 3 371.319 2.573 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)c2cccc(Br)c2)CCCO1 ZINC000819266171 742364165 /nfs/dbraw/zinc/36/41/65/742364165.db2.gz WSMWVRVIYACZHR-RHSMWYFYSA-N 1 3 371.319 2.573 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC[C@H](O)c1ccc(Cl)cc1 ZINC000819317633 742372911 /nfs/dbraw/zinc/37/29/11/742372911.db2.gz YLPMOWUJLINQCN-SFHVURJKSA-N 1 3 363.889 2.889 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3nc(C)cs3)CC2)CC[N@@H+]1C ZINC001026497059 742754107 /nfs/dbraw/zinc/75/41/07/742754107.db2.gz JJNXTLBMSDKNHH-SJJHQCBESA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3nc(C)cs3)CC2)CC[N@H+]1C ZINC001026497059 742754113 /nfs/dbraw/zinc/75/41/13/742754113.db2.gz JJNXTLBMSDKNHH-SJJHQCBESA-N 1 3 364.559 2.699 20 0 FFADHO Cc1nc(C)c(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001034213845 742912466 /nfs/dbraw/zinc/91/24/66/742912466.db2.gz CIODAUIQPUMUJQ-DJIMGWMZSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nc(C)c(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001034213845 742912471 /nfs/dbraw/zinc/91/24/71/742912471.db2.gz CIODAUIQPUMUJQ-DJIMGWMZSA-N 1 3 364.559 2.571 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN(CCC(F)(F)F)CC3)CC[N@@H+]1C ZINC001040707556 743024433 /nfs/dbraw/zinc/02/44/33/743024433.db2.gz FLEVZPRHHXGMHV-HUUCEWRRSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC3(C2)CCN(CCC(F)(F)F)CC3)CC[N@H+]1C ZINC001040707556 743024443 /nfs/dbraw/zinc/02/44/43/743024443.db2.gz FLEVZPRHHXGMHV-HUUCEWRRSA-N 1 3 361.452 2.594 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCC(F)(F)F)CC[N@@H+]1C ZINC001045781250 743304232 /nfs/dbraw/zinc/30/42/32/743304232.db2.gz BPYJMXXLJRPXJQ-FXUDXRNXSA-N 1 3 361.452 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCC(F)(F)F)CC[N@H+]1C ZINC001045781250 743304242 /nfs/dbraw/zinc/30/42/42/743304242.db2.gz BPYJMXXLJRPXJQ-FXUDXRNXSA-N 1 3 361.452 2.734 20 0 FFADHO Cc1cc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001049485402 743465674 /nfs/dbraw/zinc/46/56/74/743465674.db2.gz MZSPXOQDSUMXDL-OQIJWPOYSA-N 1 3 361.555 2.962 20 0 FFADHO Cc1cc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001049485402 743465677 /nfs/dbraw/zinc/46/56/77/743465677.db2.gz MZSPXOQDSUMXDL-OQIJWPOYSA-N 1 3 361.555 2.962 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827067350 743498374 /nfs/dbraw/zinc/49/83/74/743498374.db2.gz DQXGTPOXXWCYIA-IVMMDQJWSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827067350 743498378 /nfs/dbraw/zinc/49/83/78/743498378.db2.gz DQXGTPOXXWCYIA-IVMMDQJWSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827067351 743498982 /nfs/dbraw/zinc/49/89/82/743498982.db2.gz DQXGTPOXXWCYIA-JGGQBBKZSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827067351 743498987 /nfs/dbraw/zinc/49/89/87/743498987.db2.gz DQXGTPOXXWCYIA-JGGQBBKZSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H]([NH3+])CC(=O)NCCN(C)Cc2ccccc2)cc(Cl)n1 ZINC000827555903 743601144 /nfs/dbraw/zinc/60/11/44/743601144.db2.gz DUEQKVIFFQJWML-KRWDZBQOSA-N 1 3 360.889 2.682 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@@H]3CN(C4CC4)C(=O)O3)C2)s1 ZINC000844327326 748005896 /nfs/dbraw/zinc/00/58/96/748005896.db2.gz PTFQVBLCUUWYCC-DOTOQJQBSA-N 1 3 363.527 2.793 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@@H]3CN(C4CC4)C(=O)O3)C2)s1 ZINC000844327326 748005906 /nfs/dbraw/zinc/00/59/06/748005906.db2.gz PTFQVBLCUUWYCC-DOTOQJQBSA-N 1 3 363.527 2.793 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1cccc(Br)c1 ZINC000849101634 749050947 /nfs/dbraw/zinc/05/09/47/749050947.db2.gz WMTWEXKRNCMPNB-INIZCTEOSA-N 1 3 367.335 2.980 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000067671656 845510811 /nfs/dbraw/zinc/51/08/11/845510811.db2.gz UXJMIDFLYWUKRR-AWEZNQCLSA-N 1 3 370.335 2.573 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)CC[C@@H]2C1 ZINC001087909142 971072095 /nfs/dbraw/zinc/07/20/95/971072095.db2.gz ZQNBBLPTYKHNJC-WSTZPKSXSA-N 1 3 367.493 2.807 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc4ccccc4o3)CC[C@@H]2C1 ZINC001087909142 971072105 /nfs/dbraw/zinc/07/21/05/971072105.db2.gz ZQNBBLPTYKHNJC-WSTZPKSXSA-N 1 3 367.493 2.807 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001105067326 971445089 /nfs/dbraw/zinc/44/50/89/971445089.db2.gz WZRLMRJGATVLRJ-IAGOWNOFSA-N 1 3 351.560 2.705 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001125937984 971786662 /nfs/dbraw/zinc/78/66/62/971786662.db2.gz GSRRVCVFFLXNEU-SFHVURJKSA-N 1 3 353.457 2.728 20 0 FFADHO CC/C=C\CCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275863078 1013113751 /nfs/dbraw/zinc/11/37/51/1013113751.db2.gz UYHHGFMZZSAWII-RMUOZIPVSA-N 1 3 365.562 2.626 20 0 FFADHO CC/C=C\CCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275863078 1013113757 /nfs/dbraw/zinc/11/37/57/1013113757.db2.gz UYHHGFMZZSAWII-RMUOZIPVSA-N 1 3 365.562 2.626 20 0 FFADHO C[C@@H](CC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1)CC(C)(C)C ZINC001275887776 1013140556 /nfs/dbraw/zinc/14/05/56/1013140556.db2.gz DESWDUSOEWXYEM-RXVVDRJESA-N 1 3 367.578 2.561 20 0 FFADHO C[C@@H](CC[N@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1)CC(C)(C)C ZINC001275887776 1013140565 /nfs/dbraw/zinc/14/05/65/1013140565.db2.gz DESWDUSOEWXYEM-RXVVDRJESA-N 1 3 367.578 2.561 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000654735859 958876185 /nfs/dbraw/zinc/87/61/85/958876185.db2.gz VHURBINVGOLEFR-UFYCRDLUSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000654735859 958876198 /nfs/dbraw/zinc/87/61/98/958876198.db2.gz VHURBINVGOLEFR-UFYCRDLUSA-N 1 3 374.529 2.614 20 0 FFADHO CC(=O)N1CCC(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208679638 959564183 /nfs/dbraw/zinc/56/41/83/959564183.db2.gz WHPMQIWHKPIFPO-VXKWHMMOSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001208679638 959564200 /nfs/dbraw/zinc/56/42/00/959564200.db2.gz WHPMQIWHKPIFPO-VXKWHMMOSA-N 1 3 355.526 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC000969706622 959786911 /nfs/dbraw/zinc/78/69/11/959786911.db2.gz MWYZFRKIILVYMH-MFMILTCTSA-N 1 3 368.525 2.835 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC000969706622 959786924 /nfs/dbraw/zinc/78/69/24/959786924.db2.gz MWYZFRKIILVYMH-MFMILTCTSA-N 1 3 368.525 2.835 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1cccc3ccccc31)C2 ZINC000660656379 972457303 /nfs/dbraw/zinc/45/73/03/972457303.db2.gz REUHDJCJROKUQG-DENIHFKCSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1cccc3ccccc31)C2 ZINC000660656379 972457308 /nfs/dbraw/zinc/45/73/08/972457308.db2.gz REUHDJCJROKUQG-DENIHFKCSA-N 1 3 354.494 2.997 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000683421008 960514364 /nfs/dbraw/zinc/51/43/64/960514364.db2.gz NKYIROBHRPVIJF-SFTDATJTSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000683421008 960514381 /nfs/dbraw/zinc/51/43/81/960514381.db2.gz NKYIROBHRPVIJF-SFTDATJTSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000313077784 972521863 /nfs/dbraw/zinc/52/18/63/972521863.db2.gz WMAOEIPKMSZESE-FXAWDEMLSA-N 1 3 367.493 2.551 20 0 FFADHO CCN1CCN(c2ccccc2NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655748580 961235147 /nfs/dbraw/zinc/23/51/47/961235147.db2.gz CWPCBUSFVIEQPV-FQEVSTJZSA-N 1 3 372.557 2.884 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655753124 961243556 /nfs/dbraw/zinc/24/35/56/961243556.db2.gz WAVBLOHTFAXHIS-DWLFOUALSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001104288286 961839007 /nfs/dbraw/zinc/83/90/07/961839007.db2.gz VHGYBCMBDVYPTL-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c(C)s1 ZINC001095419201 1013323150 /nfs/dbraw/zinc/32/31/50/1013323150.db2.gz UBSAQEIHOFEHNW-FYQPLNBISA-N 1 3 373.566 2.928 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC[C@H]1CCCCO1 ZINC001104294725 962386033 /nfs/dbraw/zinc/38/60/33/962386033.db2.gz YOZDLSBTNPVGTI-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000891349070 963366656 /nfs/dbraw/zinc/36/66/56/963366656.db2.gz GSPAWQISXBEIMJ-RNQOJCNYSA-N 1 3 356.514 2.653 20 0 FFADHO COc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1F ZINC000873247574 1013446845 /nfs/dbraw/zinc/44/68/45/1013446845.db2.gz PSAFJLXKCPYKPS-ZDUSSCGKSA-N 1 3 355.417 2.725 20 0 FFADHO Cc1c([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cnn1C(C)(C)C ZINC000873244410 1013444788 /nfs/dbraw/zinc/44/47/88/1013444788.db2.gz RYFGXEQSNRBCPG-CQSZACIVSA-N 1 3 367.501 2.837 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000090038787 963901104 /nfs/dbraw/zinc/90/11/04/963901104.db2.gz XXZICCWZYMZYCU-FQEVSTJZSA-N 1 3 355.457 2.894 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090184971 963975681 /nfs/dbraw/zinc/97/56/81/963975681.db2.gz OMUPFDLCFXANOR-IFMALSPDSA-N 1 3 372.601 2.903 20 0 FFADHO CC(C)Oc1ccccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261862000 964060055 /nfs/dbraw/zinc/06/00/55/964060055.db2.gz NGTANNYYXXYRGB-HKUYNNGSSA-N 1 3 359.514 2.554 20 0 FFADHO Cc1oncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001087165709 964469865 /nfs/dbraw/zinc/46/98/65/964469865.db2.gz INHJOHRTKRNHLB-MNEFBYGVSA-N 1 3 362.518 2.573 20 0 FFADHO Cc1oncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001087165709 964469870 /nfs/dbraw/zinc/46/98/70/964469870.db2.gz INHJOHRTKRNHLB-MNEFBYGVSA-N 1 3 362.518 2.573 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961682 964755698 /nfs/dbraw/zinc/75/56/98/964755698.db2.gz MUQPSNHDVAVFOM-FPCLHWOWSA-N 1 3 361.530 2.847 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961682 964755708 /nfs/dbraw/zinc/75/57/08/964755708.db2.gz MUQPSNHDVAVFOM-FPCLHWOWSA-N 1 3 361.530 2.847 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891704434 964906785 /nfs/dbraw/zinc/90/67/85/964906785.db2.gz YGIKMCVPAASRHS-FUHWJXTLSA-N 1 3 359.518 2.520 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000891722878 964961315 /nfs/dbraw/zinc/96/13/15/964961315.db2.gz KRQRPCJYXIANDF-LEWJYISDSA-N 1 3 364.493 2.577 20 0 FFADHO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnn(C)c1 ZINC000090971268 965005836 /nfs/dbraw/zinc/00/58/36/965005836.db2.gz AAVRENRNFKKKRE-KRWDZBQOSA-N 1 3 353.514 2.803 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000638548574 965036714 /nfs/dbraw/zinc/03/67/14/965036714.db2.gz CICGJIRQCCXEBI-KJXAQDMKSA-N 1 3 370.585 2.828 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)[C@H](N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000648167870 965523726 /nfs/dbraw/zinc/52/37/26/965523726.db2.gz BMAHCTZVWGQBPA-YUXAGFNASA-N 1 3 365.521 2.973 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)[C@H](N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000648167870 965523741 /nfs/dbraw/zinc/52/37/41/965523741.db2.gz BMAHCTZVWGQBPA-YUXAGFNASA-N 1 3 365.521 2.973 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000664902172 965965288 /nfs/dbraw/zinc/96/52/88/965965288.db2.gz NGSJYLWKBNTHAB-LPHOPBHVSA-N 1 3 364.534 2.716 20 0 FFADHO c1cc(CNCc2ccnc(OC3CCOCC3)c2)n(-c2ccncc2)n1 ZINC000657360831 966286846 /nfs/dbraw/zinc/28/68/46/966286846.db2.gz VKQSURCFFVOXKS-UHFFFAOYSA-N 1 3 365.437 2.510 20 0 FFADHO c1cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)n(-c2ccncc2)n1 ZINC000657360831 966286851 /nfs/dbraw/zinc/28/68/51/966286851.db2.gz VKQSURCFFVOXKS-UHFFFAOYSA-N 1 3 365.437 2.510 20 0 FFADHO c1cc(CNCc2ccnc(OC3CCOCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC000657360831 966286858 /nfs/dbraw/zinc/28/68/58/966286858.db2.gz VKQSURCFFVOXKS-UHFFFAOYSA-N 1 3 365.437 2.510 20 0 FFADHO COC[C@H](C)Oc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000657400882 966406878 /nfs/dbraw/zinc/40/68/78/966406878.db2.gz ONTDOEDMHPVJTF-DQLDELGASA-N 1 3 362.514 2.568 20 0 FFADHO Cc1ncsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC[C@H]1C ZINC001087212746 966585734 /nfs/dbraw/zinc/58/57/34/966585734.db2.gz OMDBMWDSYVOINF-INMHGKMJSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[N@H+]2CC[C@@H](C)C2)sn1 ZINC001087213407 966592628 /nfs/dbraw/zinc/59/26/28/966592628.db2.gz SORCOAJXLJGFQI-INMHGKMJSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)sn1 ZINC001087213407 966592634 /nfs/dbraw/zinc/59/26/34/966592634.db2.gz SORCOAJXLJGFQI-INMHGKMJSA-N 1 3 364.559 2.510 20 0 FFADHO c1ccc(N2CCN(CC3(N[C@@H]4CC[N@@H+]5CCC[C@H]5C4)CC3)CC2)cc1 ZINC000657704996 967111840 /nfs/dbraw/zinc/11/18/40/967111840.db2.gz VXGLGSKGDOYNSD-CTNGQTDRSA-N 1 3 354.542 2.558 20 0 FFADHO c1ccc(N2CCN(CC3(N[C@@H]4CC[N@H+]5CCC[C@H]5C4)CC3)CC2)cc1 ZINC000657704996 967111844 /nfs/dbraw/zinc/11/18/44/967111844.db2.gz VXGLGSKGDOYNSD-CTNGQTDRSA-N 1 3 354.542 2.558 20 0 FFADHO NC(=[NH2+])N(c1ccc(F)cc1)c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001167994295 967178138 /nfs/dbraw/zinc/17/81/38/967178138.db2.gz GTBFRLDZMKVODO-QGZVFWFLSA-N 1 3 353.401 2.771 20 0 FFADHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112159872 967640849 /nfs/dbraw/zinc/64/08/49/967640849.db2.gz FIZPZLFINFZSAO-RBSFLKMASA-N 1 3 351.457 2.742 20 0 FFADHO CCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001075798474 967649709 /nfs/dbraw/zinc/64/97/09/967649709.db2.gz BZERANYNOKHJMK-BHDDXSALSA-N 1 3 367.537 2.624 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc(OC)cc1 ZINC001087573729 968202088 /nfs/dbraw/zinc/20/20/88/968202088.db2.gz AWULJSHTDDTHMI-QHAWAJNXSA-N 1 3 371.525 2.506 20 0 FFADHO COc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1OC(F)F ZINC000685454632 968227241 /nfs/dbraw/zinc/22/72/41/968227241.db2.gz DCOAXOBLHZLHRA-UHFFFAOYSA-N 1 3 371.472 2.754 20 0 FFADHO CN(C[C@H](O)C[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CC1 ZINC000685573352 968312537 /nfs/dbraw/zinc/31/25/37/968312537.db2.gz JFGPTSYFIGNKMP-RTWAWAEBSA-N 1 3 359.558 2.504 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1Cc1cccnc1C ZINC001087620599 968386679 /nfs/dbraw/zinc/38/66/79/968386679.db2.gz MIGYGKBPYYRJRF-VQTJNVASSA-N 1 3 370.541 2.735 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)c2)CC1 ZINC000647475616 969103426 /nfs/dbraw/zinc/10/34/26/969103426.db2.gz XIDNKTYSKGMMBB-LJQANCHMSA-N 1 3 371.529 2.625 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1cc2ccccc2o1 ZINC001087799174 969115024 /nfs/dbraw/zinc/11/50/24/969115024.db2.gz HBSANRDIPLWEIP-RBUKOAKNSA-N 1 3 367.493 2.998 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(CF)cc1 ZINC001087799494 969120189 /nfs/dbraw/zinc/12/01/89/969120189.db2.gz XWFMMDQQMKPMDA-RBUKOAKNSA-N 1 3 359.489 2.721 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(F)cc2F)CC[N@@H+]1C ZINC001024966927 969421484 /nfs/dbraw/zinc/42/14/84/969421484.db2.gz GTZLCENSDHRGMA-ZTFGCOKTSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(F)cc2F)CC[N@H+]1C ZINC001024966927 969421491 /nfs/dbraw/zinc/42/14/91/969421491.db2.gz GTZLCENSDHRGMA-ZTFGCOKTSA-N 1 3 365.468 2.776 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892562227 969486381 /nfs/dbraw/zinc/48/63/81/969486381.db2.gz CMBKHOUADQDAOD-FZNQNYSPSA-N 1 3 372.435 2.516 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000892598060 969554980 /nfs/dbraw/zinc/55/49/80/969554980.db2.gz IRRARSALVXPLLC-WJMWBRGCSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000310715731 969556099 /nfs/dbraw/zinc/55/60/99/969556099.db2.gz KXRLJMUIEQXCKP-QGZVFWFLSA-N 1 3 350.470 2.835 20 0 FFADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000310715731 969556104 /nfs/dbraw/zinc/55/61/04/969556104.db2.gz KXRLJMUIEQXCKP-QGZVFWFLSA-N 1 3 350.470 2.835 20 0 FFADHO CCC[NH+](CCC)CCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033270 969650607 /nfs/dbraw/zinc/65/06/07/969650607.db2.gz VOLHXYCDKVIKER-IBGZPJMESA-N 1 3 362.518 2.981 20 0 FFADHO C[NH+](C)CCN(C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCC1 ZINC000659037628 969655725 /nfs/dbraw/zinc/65/57/25/969655725.db2.gz YBUBSTODUDRDIM-IBGZPJMESA-N 1 3 360.502 2.686 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659043389 969660077 /nfs/dbraw/zinc/66/00/77/969660077.db2.gz ZQOHNYGEQLASEJ-LPHOPBHVSA-N 1 3 360.502 2.589 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000647551908 969695057 /nfs/dbraw/zinc/69/50/57/969695057.db2.gz VLGFBTBAYSAFOK-FXAWDEMLSA-N 1 3 358.486 2.707 20 0 FFADHO CN(CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)Cc1ccccc1 ZINC000659288188 969799799 /nfs/dbraw/zinc/79/97/99/969799799.db2.gz DBNSJDXKDLDNFJ-HXUWFJFHSA-N 1 3 351.494 2.927 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659355547 969862014 /nfs/dbraw/zinc/86/20/14/969862014.db2.gz RBNZJCXGXGFPEJ-UFYCRDLUSA-N 1 3 353.441 2.622 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNCc1cccc(Cl)n1 ZINC001104599856 969907983 /nfs/dbraw/zinc/90/79/83/969907983.db2.gz IFUPRCZQOHUUCD-HZPDHXFCSA-N 1 3 366.937 2.651 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCCC1)c1ccccc1 ZINC000659454782 969946013 /nfs/dbraw/zinc/94/60/13/969946013.db2.gz NVBYLTVBQUWNEK-KBAYOESNSA-N 1 3 362.493 2.731 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)N(C)C)cc1 ZINC000659493902 969983523 /nfs/dbraw/zinc/98/35/23/969983523.db2.gz YAROGRICANQGHY-BIXGBWIQSA-N 1 3 358.530 2.621 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H](C)CN1 ZINC000659611292 970076658 /nfs/dbraw/zinc/07/66/58/970076658.db2.gz NJRRPSPGHPAHJH-GGPKGHCWSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H](C)CN1 ZINC000659611292 970076669 /nfs/dbraw/zinc/07/66/69/970076669.db2.gz NJRRPSPGHPAHJH-GGPKGHCWSA-N 1 3 370.541 2.681 20 0 FFADHO COc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1C ZINC001104732000 970192877 /nfs/dbraw/zinc/19/28/77/970192877.db2.gz IFDWSKSGRCYGKG-CRAIPNDOSA-N 1 3 370.497 2.544 20 0 FFADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(CN2CCCCC2)c1 ZINC000665365204 970377734 /nfs/dbraw/zinc/37/77/34/970377734.db2.gz KKHIFJBCEQSPTQ-NRFANRHFSA-N 1 3 371.525 2.656 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659872671 970608085 /nfs/dbraw/zinc/60/80/85/970608085.db2.gz FVRVKKLIFPNYEG-UHFFFAOYSA-N 1 3 370.545 2.815 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659872671 970608090 /nfs/dbraw/zinc/60/80/90/970608090.db2.gz FVRVKKLIFPNYEG-UHFFFAOYSA-N 1 3 370.545 2.815 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000660838528 972972568 /nfs/dbraw/zinc/97/25/68/972972568.db2.gz WLSHYBCOYZXMKZ-WOJBJXKFSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000660838528 972972594 /nfs/dbraw/zinc/97/25/94/972972594.db2.gz WLSHYBCOYZXMKZ-WOJBJXKFSA-N 1 3 370.541 2.682 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC3(C2)CC[NH+](C)CC3)C2CC2)cc1 ZINC000639760907 974211343 /nfs/dbraw/zinc/21/13/43/974211343.db2.gz CQZKFACLGBLKLV-UHFFFAOYSA-N 1 3 371.525 2.604 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000662866829 974425786 /nfs/dbraw/zinc/42/57/86/974425786.db2.gz JNJPLOFBLOFGQG-VDGAXYAQSA-N 1 3 359.514 2.521 20 0 FFADHO C[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)N(C)Cc1ccccc1 ZINC000652149864 974630794 /nfs/dbraw/zinc/63/07/94/974630794.db2.gz DIKQZAXRKMTQKG-OAHLLOKOSA-N 1 3 358.461 2.604 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)CCN1Cc1ccccc1 ZINC000652192515 974690840 /nfs/dbraw/zinc/69/08/40/974690840.db2.gz CTKXIUHIUWAHJX-QRWLVFNGSA-N 1 3 370.472 2.747 20 0 FFADHO Fc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1CN1CC[C@H]2COC[C@H]2C1 ZINC000662028675 975109287 /nfs/dbraw/zinc/10/92/87/975109287.db2.gz ACBAVNLYDDYCFY-YXYSEUPNSA-N 1 3 374.500 2.762 20 0 FFADHO Fc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1CN1CC[C@H]2COC[C@H]2C1 ZINC000662028675 975109293 /nfs/dbraw/zinc/10/92/93/975109293.db2.gz ACBAVNLYDDYCFY-YXYSEUPNSA-N 1 3 374.500 2.762 20 0 FFADHO COc1cccc([C@@]2(C)CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC000662310392 975421790 /nfs/dbraw/zinc/42/17/90/975421790.db2.gz JQJHWGCZXSTHSU-FKBYEOEOSA-N 1 3 354.494 2.590 20 0 FFADHO COc1cccc([C@@]2(C)CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)c1 ZINC000662310392 975421795 /nfs/dbraw/zinc/42/17/95/975421795.db2.gz JQJHWGCZXSTHSU-FKBYEOEOSA-N 1 3 354.494 2.590 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001211695185 975859634 /nfs/dbraw/zinc/85/96/34/975859634.db2.gz PBWLHGXIJISDQH-RRIIRSAJSA-N 1 3 357.542 2.959 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000663445263 975906434 /nfs/dbraw/zinc/90/64/34/975906434.db2.gz NMVGXRQZMORTEA-OAQYLSRUSA-N 1 3 372.557 2.581 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001268063939 975991269 /nfs/dbraw/zinc/99/12/69/975991269.db2.gz OCEJFJWCXQNDQI-QIIPPGSGSA-N 1 3 353.457 2.632 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001268063939 975991283 /nfs/dbraw/zinc/99/12/83/975991283.db2.gz OCEJFJWCXQNDQI-QIIPPGSGSA-N 1 3 353.457 2.632 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)N1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001167823369 976018520 /nfs/dbraw/zinc/01/85/20/976018520.db2.gz KXUJYZXGSQDKEN-FXAWDEMLSA-N 1 3 366.550 2.585 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CCc1ccccc1 ZINC001088769200 976064808 /nfs/dbraw/zinc/06/48/08/976064808.db2.gz WZSSBRLCPUIJEQ-JRGCBEDISA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CCc1ccccc1 ZINC001088769200 976064820 /nfs/dbraw/zinc/06/48/20/976064820.db2.gz WZSSBRLCPUIJEQ-JRGCBEDISA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000663509352 976083534 /nfs/dbraw/zinc/08/35/34/976083534.db2.gz KKZFHLRAGYGLNM-FXAWDEMLSA-N 1 3 372.513 2.940 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000663509352 976083548 /nfs/dbraw/zinc/08/35/48/976083548.db2.gz KKZFHLRAGYGLNM-FXAWDEMLSA-N 1 3 372.513 2.940 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001142590527 976661621 /nfs/dbraw/zinc/66/16/21/976661621.db2.gz DHHLBKJBMWLSHS-UHFFFAOYSA-N 1 3 357.420 2.822 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC3(CC2)OCCO3)CC1 ZINC000126095650 1014348708 /nfs/dbraw/zinc/34/87/08/1014348708.db2.gz JAUJLSRSDAQHNQ-UHFFFAOYSA-N 1 3 359.514 2.558 20 0 FFADHO C[C@@H]1[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667802532 977059128 /nfs/dbraw/zinc/05/91/28/977059128.db2.gz TUFZIDBQSUEKAO-DNVCBOLYSA-N 1 3 365.481 2.512 20 0 FFADHO C[C@@H]1[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)CC[N@H+]1Cc1ccccc1 ZINC000667802532 977059135 /nfs/dbraw/zinc/05/91/35/977059135.db2.gz TUFZIDBQSUEKAO-DNVCBOLYSA-N 1 3 365.481 2.512 20 0 FFADHO Cc1ccccc1C1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000645229233 978024721 /nfs/dbraw/zinc/02/47/21/978024721.db2.gz VDFHOHBTEYLWLW-UHFFFAOYSA-N 1 3 370.541 2.842 20 0 FFADHO Cc1cccnc1[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000664133601 978055239 /nfs/dbraw/zinc/05/52/39/978055239.db2.gz AUZCOFRLFKOQCE-ROUUACIJSA-N 1 3 363.550 2.658 20 0 FFADHO Cc1cccnc1[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000664133601 978055244 /nfs/dbraw/zinc/05/52/44/978055244.db2.gz AUZCOFRLFKOQCE-ROUUACIJSA-N 1 3 363.550 2.658 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1)N1CCN(C)CC1 ZINC000877022981 1014451993 /nfs/dbraw/zinc/45/19/93/1014451993.db2.gz ZFLSUPFLDHMORM-CBQOVEMMSA-N 1 3 356.558 2.580 20 0 FFADHO c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CN4CCC[C@H]4CO3)CCN2C2CC2)cc1 ZINC000877022254 1014453079 /nfs/dbraw/zinc/45/30/79/1014453079.db2.gz RPCLBYCGWZKUOM-ZDFPQIBNSA-N 1 3 355.526 2.807 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]32)C1 ZINC001076244403 979278231 /nfs/dbraw/zinc/27/82/31/979278231.db2.gz RDSDCGONWFGKHU-SQGPQFPESA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1 ZINC001076244403 979278240 /nfs/dbraw/zinc/27/82/40/979278240.db2.gz RDSDCGONWFGKHU-SQGPQFPESA-N 1 3 351.510 2.532 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(F)F)cc4)C[C@H]32)C1 ZINC001076567959 979666352 /nfs/dbraw/zinc/66/63/52/979666352.db2.gz OJUUKQRTAHEPJR-OKZBNKHCSA-N 1 3 363.452 2.609 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(F)F)cc4)C[C@H]32)C1 ZINC001076567959 979666358 /nfs/dbraw/zinc/66/63/58/979666358.db2.gz OJUUKQRTAHEPJR-OKZBNKHCSA-N 1 3 363.452 2.609 20 0 FFADHO Cc1cccnc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866878 1014601442 /nfs/dbraw/zinc/60/14/42/1014601442.db2.gz NGUFHFPTXKAGGX-CEXWTWQISA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cccnc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866878 1014601445 /nfs/dbraw/zinc/60/14/45/1014601445.db2.gz NGUFHFPTXKAGGX-CEXWTWQISA-N 1 3 358.530 2.591 20 0 FFADHO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000905379003 980431220 /nfs/dbraw/zinc/43/12/20/980431220.db2.gz BCUTWNHSJCKVHO-LEWJYISDSA-N 1 3 372.553 2.934 20 0 FFADHO COCCN(Cc1cnn(Cc2ccccc2)c1)CC1CC[NH+](C)CC1 ZINC000877665076 1014668852 /nfs/dbraw/zinc/66/88/52/1014668852.db2.gz GUGWKBZINQAUKC-UHFFFAOYSA-N 1 3 356.514 2.722 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000897853740 982537608 /nfs/dbraw/zinc/53/76/08/982537608.db2.gz WMZVHPPVLGZPEG-FPOVZHCZSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000897853740 982537613 /nfs/dbraw/zinc/53/76/13/982537613.db2.gz WMZVHPPVLGZPEG-FPOVZHCZSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000650894683 1014856524 /nfs/dbraw/zinc/85/65/24/1014856524.db2.gz DQZSTFLJJLINKD-LAUBAEHRSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+](C)C1CCC(N2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC001168315250 982831620 /nfs/dbraw/zinc/83/16/20/982831620.db2.gz SOVJADSPCTYZMO-FOIPXRHGSA-N 1 3 367.534 2.569 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666923999 982922571 /nfs/dbraw/zinc/92/25/71/982922571.db2.gz WLYQUZSVGFFVHF-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666923999 982922574 /nfs/dbraw/zinc/92/25/74/982922574.db2.gz WLYQUZSVGFFVHF-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CC[C@H](c3ccccc3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878323844 1014984950 /nfs/dbraw/zinc/98/49/50/1014984950.db2.gz DWQDVDQEBJCJNI-FVTFTPSCSA-N 1 3 357.542 2.865 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416927967 984076156 /nfs/dbraw/zinc/07/61/56/984076156.db2.gz UBKPWPNFLWYPIV-ZHALLVOQSA-N 1 3 362.518 2.647 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000651191263 1015034721 /nfs/dbraw/zinc/03/47/21/1015034721.db2.gz SFPTVRUHXOFLHD-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000651191263 1015034730 /nfs/dbraw/zinc/03/47/30/1015034730.db2.gz SFPTVRUHXOFLHD-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000157111317 984457636 /nfs/dbraw/zinc/45/76/36/984457636.db2.gz CYXJAEIMMFIDAY-VQTJNVASSA-N 1 3 355.526 2.984 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000157111317 984457637 /nfs/dbraw/zinc/45/76/37/984457637.db2.gz CYXJAEIMMFIDAY-VQTJNVASSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000057165230 984483290 /nfs/dbraw/zinc/48/32/90/984483290.db2.gz DJJVYLKRTCVDOB-IBGZPJMESA-N 1 3 358.530 2.778 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107442364 984544175 /nfs/dbraw/zinc/54/41/75/984544175.db2.gz DEIIGIGTJPNALX-TUNNFDKTSA-N 1 3 370.541 2.817 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107442364 984544178 /nfs/dbraw/zinc/54/41/78/984544178.db2.gz DEIIGIGTJPNALX-TUNNFDKTSA-N 1 3 370.541 2.817 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC[C@@H]1[NH3+] ZINC000669427559 984572767 /nfs/dbraw/zinc/57/27/67/984572767.db2.gz YGNDINDRMKXDOD-HOJAQTOUSA-N 1 3 358.530 2.901 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2)N(C)C ZINC001107534093 984643433 /nfs/dbraw/zinc/64/34/33/984643433.db2.gz XEKZKCKEFFWZGK-BFYDXBDKSA-N 1 3 363.468 2.886 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2)N(C)C ZINC001107534093 984643439 /nfs/dbraw/zinc/64/34/39/984643439.db2.gz XEKZKCKEFFWZGK-BFYDXBDKSA-N 1 3 363.468 2.886 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483822 984650922 /nfs/dbraw/zinc/65/09/22/984650922.db2.gz OHROWDIKUNFIED-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnccc1C)CC2 ZINC001107583005 984734288 /nfs/dbraw/zinc/73/42/88/984734288.db2.gz KHTKPUHRTSUCCG-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnccc1C)CC2 ZINC001107583005 984734293 /nfs/dbraw/zinc/73/42/93/984734293.db2.gz KHTKPUHRTSUCCG-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO O=C(CCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107643866 984926396 /nfs/dbraw/zinc/92/63/96/984926396.db2.gz WARXDIKPVCINEJ-LDHAIWNLSA-N 1 3 353.938 2.976 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654725783 985369131 /nfs/dbraw/zinc/36/91/31/985369131.db2.gz KKYLZAHNRZREFH-UXHICEINSA-N 1 3 374.529 2.902 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654725783 985369141 /nfs/dbraw/zinc/36/91/41/985369141.db2.gz KKYLZAHNRZREFH-UXHICEINSA-N 1 3 374.529 2.902 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753619 985716294 /nfs/dbraw/zinc/71/62/94/985716294.db2.gz HPECPMHEKPSBNU-MORSLUCNSA-N 1 3 359.470 2.952 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C2CC2)cc1 ZINC001088980258 985730433 /nfs/dbraw/zinc/73/04/33/985730433.db2.gz CASGEZMXEZFLBJ-BLIXFSHQSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C2CC2)cc1 ZINC001088980258 985730443 /nfs/dbraw/zinc/73/04/43/985730443.db2.gz CASGEZMXEZFLBJ-BLIXFSHQSA-N 1 3 355.526 2.985 20 0 FFADHO COc1ccc([C@@H]2C[C@@H]([NH2+]CCN3CCN(C(C)C)CC3)CCO2)cc1 ZINC001168599194 985762973 /nfs/dbraw/zinc/76/29/73/985762973.db2.gz YMOJWJASEFBCFI-FPOVZHCZSA-N 1 3 361.530 2.531 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CC[C@H]1CCCO1 ZINC001089059107 986137743 /nfs/dbraw/zinc/13/77/43/986137743.db2.gz ZSSRKOSAVXGDJV-AHRSYUTCSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CC[C@H]1CCCO1 ZINC001089059107 986137751 /nfs/dbraw/zinc/13/77/51/986137751.db2.gz ZSSRKOSAVXGDJV-AHRSYUTCSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)CCN1Cc1ccccc1 ZINC000379629148 986391713 /nfs/dbraw/zinc/39/17/13/986391713.db2.gz OFRPHNHUBLGOGO-MJGOQNOKSA-N 1 3 362.477 2.837 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001106249543 987758261 /nfs/dbraw/zinc/75/82/61/987758261.db2.gz KCMKOVVRWUCZHN-BMFZPTHFSA-N 1 3 363.468 2.743 20 0 FFADHO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C12CCC2 ZINC000453141945 987767145 /nfs/dbraw/zinc/76/71/45/987767145.db2.gz JXJBEHFISHUAKY-PMACEKPBSA-N 1 3 371.525 2.559 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001106672787 988623046 /nfs/dbraw/zinc/62/30/46/988623046.db2.gz KPORSRNQAUDQPU-NETTWWFISA-N 1 3 364.361 2.967 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001085196649 988782072 /nfs/dbraw/zinc/78/20/72/988782072.db2.gz IWNHZRZDQQMZKZ-QRVBRYPASA-N 1 3 362.493 2.611 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1 ZINC001085196649 988782079 /nfs/dbraw/zinc/78/20/79/988782079.db2.gz IWNHZRZDQQMZKZ-QRVBRYPASA-N 1 3 362.493 2.611 20 0 FFADHO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247823 1015436566 /nfs/dbraw/zinc/43/65/66/1015436566.db2.gz GMWYKBARKUXBPH-MJGOQNOKSA-N 1 3 371.525 2.823 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000673774522 989246098 /nfs/dbraw/zinc/24/60/98/989246098.db2.gz DRHNTYXSESFJKG-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000673774522 989246103 /nfs/dbraw/zinc/24/61/03/989246103.db2.gz DRHNTYXSESFJKG-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CCC(OC)CC2)cc1 ZINC000674325561 989660243 /nfs/dbraw/zinc/66/02/43/989660243.db2.gz XCXAYYBUMPVGPK-UHFFFAOYSA-N 1 3 361.530 2.759 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CCC(OC)CC2)cc1 ZINC000674325561 989660249 /nfs/dbraw/zinc/66/02/49/989660249.db2.gz XCXAYYBUMPVGPK-UHFFFAOYSA-N 1 3 361.530 2.759 20 0 FFADHO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700802363 989670950 /nfs/dbraw/zinc/67/09/50/989670950.db2.gz HRJNLXBCTPRNMB-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000916639416 989878545 /nfs/dbraw/zinc/87/85/45/989878545.db2.gz UVBRWAFRSGQMIJ-WOJBJXKFSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000916639416 989878550 /nfs/dbraw/zinc/87/85/50/989878550.db2.gz UVBRWAFRSGQMIJ-WOJBJXKFSA-N 1 3 371.529 2.577 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001085196747 989917869 /nfs/dbraw/zinc/91/78/69/989917869.db2.gz LWTNWJYNEVSNJZ-BRWVUGGUSA-N 1 3 364.559 2.841 20 0 FFADHO Cc1ccc(F)cc1CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214192 989970585 /nfs/dbraw/zinc/97/05/85/989970585.db2.gz IIUUJGQIHRZGRT-LSTHTHJFSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)cc1CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214192 989970594 /nfs/dbraw/zinc/97/05/94/989970594.db2.gz IIUUJGQIHRZGRT-LSTHTHJFSA-N 1 3 361.505 2.945 20 0 FFADHO COCc1ccccc1/C=C(/C)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000510692394 990007350 /nfs/dbraw/zinc/00/73/50/990007350.db2.gz BYKYXEGXMYYBNN-SDXDJHTJSA-N 1 3 373.541 2.769 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000675112365 990042930 /nfs/dbraw/zinc/04/29/30/990042930.db2.gz HRPYTXVBWAUHFQ-RLLQIKCJSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675103924 990045199 /nfs/dbraw/zinc/04/51/99/990045199.db2.gz IKAQORMWWGXQSK-UWVAXJGDSA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000675193883 990103029 /nfs/dbraw/zinc/10/30/29/990103029.db2.gz HPFSDIUANRAEQW-KRWDZBQOSA-N 1 3 362.518 2.760 20 0 FFADHO CCO[C@@H]1CN(CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000652357283 1015537718 /nfs/dbraw/zinc/53/77/18/1015537718.db2.gz HRYFZLSDAXQVSF-WIYYLYMNSA-N 1 3 367.493 2.978 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000675532197 990297912 /nfs/dbraw/zinc/29/79/12/990297912.db2.gz CIIBTKILPGBMOI-ZHALLVOQSA-N 1 3 358.530 2.536 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001085196778 990395593 /nfs/dbraw/zinc/39/55/93/990395593.db2.gz NOBQHVWEMQFRHO-KURKYZTESA-N 1 3 362.518 2.681 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001085196778 990395598 /nfs/dbraw/zinc/39/55/98/990395598.db2.gz NOBQHVWEMQFRHO-KURKYZTESA-N 1 3 362.518 2.681 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000676221979 990511506 /nfs/dbraw/zinc/51/15/06/990511506.db2.gz KRMSCSNSXRBWNU-FQEVSTJZSA-N 1 3 358.530 2.951 20 0 FFADHO CC[N@H+]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000676221979 990511512 /nfs/dbraw/zinc/51/15/12/990511512.db2.gz KRMSCSNSXRBWNU-FQEVSTJZSA-N 1 3 358.530 2.951 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000195020963 990702821 /nfs/dbraw/zinc/70/28/21/990702821.db2.gz IQHIYIJDOKIQRC-UHFFFAOYSA-N 1 3 360.546 2.535 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000919796738 990733697 /nfs/dbraw/zinc/73/36/97/990733697.db2.gz KKFYIUSJJGUVTO-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000919796738 990733703 /nfs/dbraw/zinc/73/37/03/990733703.db2.gz KKFYIUSJJGUVTO-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[NH+](CC)CC)cc2)CC1 ZINC000921112977 990976406 /nfs/dbraw/zinc/97/64/06/990976406.db2.gz KHGGOYSCCUAYIQ-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN([C@H](C(=O)N1CCCCC1)c1ccccc1)CC2 ZINC000923456078 991151239 /nfs/dbraw/zinc/15/12/39/991151239.db2.gz WCDFLVUFOLSYRM-PMACEKPBSA-N 1 3 371.525 2.570 20 0 FFADHO C[C@@H](NCc1cccc(C[NH2+][C@H](C)c2ccnn2C)c1)c1ccnn1C ZINC000879686089 1015638106 /nfs/dbraw/zinc/63/81/06/1015638106.db2.gz SIMKDIXTYQCAMR-HZPDHXFCSA-N 1 3 352.486 2.855 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CC2)C1)N(C)C ZINC001079187428 991897453 /nfs/dbraw/zinc/89/74/53/991897453.db2.gz FPOZMYVUDKVPIN-ZCNNSNEGSA-N 1 3 361.505 2.706 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1F ZINC001079299026 991986516 /nfs/dbraw/zinc/98/65/16/991986516.db2.gz SPJWXNXVJFKCTL-DFQSSKMNSA-N 1 3 361.505 2.706 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001079805353 992458182 /nfs/dbraw/zinc/45/81/82/992458182.db2.gz NRKQAWARBYXJTK-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001079805353 992458186 /nfs/dbraw/zinc/45/81/86/992458186.db2.gz NRKQAWARBYXJTK-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000671120125 992649967 /nfs/dbraw/zinc/64/99/67/992649967.db2.gz OLXBJSFWFAIMSB-JSXRDJHFSA-N 1 3 353.514 2.947 20 0 FFADHO Cn1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000414931160 992779327 /nfs/dbraw/zinc/77/93/27/992779327.db2.gz UFDBPVWHCOVFFZ-IAGOWNOFSA-N 1 3 356.470 2.608 20 0 FFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001080329959 992940588 /nfs/dbraw/zinc/94/05/88/992940588.db2.gz YVLRCUNTAPVPLX-SQBLYHGDSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001080329959 992940596 /nfs/dbraw/zinc/94/05/96/992940596.db2.gz YVLRCUNTAPVPLX-SQBLYHGDSA-N 1 3 357.542 2.916 20 0 FFADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080484177 993091144 /nfs/dbraw/zinc/09/11/44/993091144.db2.gz STCKSAZKDVDYJS-AYWYSENESA-N 1 3 355.526 2.735 20 0 FFADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080484177 993091145 /nfs/dbraw/zinc/09/11/45/993091145.db2.gz STCKSAZKDVDYJS-AYWYSENESA-N 1 3 355.526 2.735 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)[C@H](C)C1 ZINC001107042717 993296132 /nfs/dbraw/zinc/29/61/32/993296132.db2.gz ZFQGGLWDHFNVDT-JXXFODFXSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC001107042619 993296364 /nfs/dbraw/zinc/29/63/64/993296364.db2.gz VMAOHBIUBGDXEP-NVXWUHKLSA-N 1 3 359.505 2.836 20 0 FFADHO Cc1nc(C(C)C)oc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039821 993300727 /nfs/dbraw/zinc/30/07/27/993300727.db2.gz ZWMGBLZJDKOQOG-NVXWUHKLSA-N 1 3 364.534 2.631 20 0 FFADHO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001080940909 993494909 /nfs/dbraw/zinc/49/49/09/993494909.db2.gz NHLWZHGFUYNBRV-IEBWSBKVSA-N 1 3 359.514 2.506 20 0 FFADHO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001080940909 993494914 /nfs/dbraw/zinc/49/49/14/993494914.db2.gz NHLWZHGFUYNBRV-IEBWSBKVSA-N 1 3 359.514 2.506 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001131516927 994345600 /nfs/dbraw/zinc/34/56/00/994345600.db2.gz AMMKAVAGTPIRMM-AABGKKOBSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001131562168 994396842 /nfs/dbraw/zinc/39/68/42/994396842.db2.gz NIZCCMIWMFEMJB-QFUCXCTJSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000809975581 994655045 /nfs/dbraw/zinc/65/50/45/994655045.db2.gz ODRFTFFSRXKNII-RZQQEMMASA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000809975581 994655050 /nfs/dbraw/zinc/65/50/50/994655050.db2.gz ODRFTFFSRXKNII-RZQQEMMASA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000809975581 994655054 /nfs/dbraw/zinc/65/50/54/994655054.db2.gz ODRFTFFSRXKNII-RZQQEMMASA-N 1 3 369.550 2.505 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@H]2C)cc1 ZINC001082507940 994790771 /nfs/dbraw/zinc/79/07/71/994790771.db2.gz KMCDVMQTSSHADH-NRSPTQNISA-N 1 3 357.542 2.847 20 0 FFADHO CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000810556469 994817216 /nfs/dbraw/zinc/81/72/16/994817216.db2.gz NLQLBPKJAICBTK-GHTZIAJQSA-N 1 3 361.505 2.932 20 0 FFADHO CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000810556469 994817229 /nfs/dbraw/zinc/81/72/29/994817229.db2.gz NLQLBPKJAICBTK-GHTZIAJQSA-N 1 3 361.505 2.932 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C)c1 ZINC001082570639 994969093 /nfs/dbraw/zinc/96/90/93/994969093.db2.gz TYBPHZOKAZPCQS-IMFGXOCKSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C)c1 ZINC001082570639 994969104 /nfs/dbraw/zinc/96/91/04/994969104.db2.gz TYBPHZOKAZPCQS-IMFGXOCKSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086695099 995153381 /nfs/dbraw/zinc/15/33/81/995153381.db2.gz BEJZPXSFJNIZOC-GVDBMIGSSA-N 1 3 364.559 2.699 20 0 FFADHO CC(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042119 1015928383 /nfs/dbraw/zinc/92/83/83/1015928383.db2.gz OUJKKHLEGNAUDA-DUXKGJEZSA-N 1 3 357.542 2.916 20 0 FFADHO CC(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042119 1015928388 /nfs/dbraw/zinc/92/83/88/1015928388.db2.gz OUJKKHLEGNAUDA-DUXKGJEZSA-N 1 3 357.542 2.916 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)C1)N(C)C ZINC001082747366 995303039 /nfs/dbraw/zinc/30/30/39/995303039.db2.gz OGOFUJHLOPCIAH-XYPHTWIQSA-N 1 3 367.921 2.625 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NCc1sccc1Cl ZINC001082741282 995394957 /nfs/dbraw/zinc/39/49/57/995394957.db2.gz VPLZQBANGNAHEA-UMVBOHGHSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NCc1sccc1Cl ZINC001082741282 995394962 /nfs/dbraw/zinc/39/49/62/995394962.db2.gz VPLZQBANGNAHEA-UMVBOHGHSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]Cc1ccsc1 ZINC001082743385 995401979 /nfs/dbraw/zinc/40/19/79/995401979.db2.gz XMECZEBDYDDVQO-OGWOLHLISA-N 1 3 367.534 2.897 20 0 FFADHO Cn1c2ccc(Cl)cc2nc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508531 1015943965 /nfs/dbraw/zinc/94/39/65/1015943965.db2.gz KKLLYCKFKFJZAS-CALCHBBNSA-N 1 3 373.932 2.627 20 0 FFADHO Cc1cncc(CN2CC[C@]3(C2)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001054135240 1015945165 /nfs/dbraw/zinc/94/51/65/1015945165.db2.gz XQAPFCVPDOJSCS-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2CC[C@]3(C2)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001054135240 1015945175 /nfs/dbraw/zinc/94/51/75/1015945175.db2.gz XQAPFCVPDOJSCS-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cccc(Cl)c1F ZINC001082861735 995666847 /nfs/dbraw/zinc/66/68/47/995666847.db2.gz MQNLMQPXCAYCQO-JKIFEVAISA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cccc(Cl)c1F ZINC001082861735 995666855 /nfs/dbraw/zinc/66/68/55/995666855.db2.gz MQNLMQPXCAYCQO-JKIFEVAISA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1NCc1ccc(F)cn1 ZINC001082940770 995866316 /nfs/dbraw/zinc/86/63/16/995866316.db2.gz RCVYVWCOKNDJBQ-FOIQADDNSA-N 1 3 370.472 2.533 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1cccc(Cl)n1 ZINC001082941866 995877093 /nfs/dbraw/zinc/87/70/93/995877093.db2.gz QRFHWESCHOPUCG-NVXWUHKLSA-N 1 3 364.921 2.548 20 0 FFADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000166856011 995991225 /nfs/dbraw/zinc/99/12/25/995991225.db2.gz JOJVLRIIMXDMDR-YUMYIRISSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000166856011 995991232 /nfs/dbraw/zinc/99/12/32/995991232.db2.gz JOJVLRIIMXDMDR-YUMYIRISSA-N 1 3 357.542 2.882 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C3CC3)cc2)C1 ZINC001096538910 1016005497 /nfs/dbraw/zinc/00/54/97/1016005497.db2.gz RAPOABPWMIBYFI-WOZUAGRISA-N 1 3 353.510 2.737 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C3CC3)cc2)C1 ZINC001096538910 1016005509 /nfs/dbraw/zinc/00/55/09/1016005509.db2.gz RAPOABPWMIBYFI-WOZUAGRISA-N 1 3 353.510 2.737 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001084405557 996548316 /nfs/dbraw/zinc/54/83/16/996548316.db2.gz SITLMXOQJODWFT-KZNAEPCWSA-N 1 3 369.500 2.827 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001084405557 996548318 /nfs/dbraw/zinc/54/83/18/996548318.db2.gz SITLMXOQJODWFT-KZNAEPCWSA-N 1 3 369.500 2.827 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)[C@@H]3C2)c1 ZINC001084406724 996550556 /nfs/dbraw/zinc/55/05/56/996550556.db2.gz XGWQKXKBPMFRJS-HMXCVIKNSA-N 1 3 355.526 2.676 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)[C@@H]3C2)c1 ZINC001084406724 996550561 /nfs/dbraw/zinc/55/05/61/996550561.db2.gz XGWQKXKBPMFRJS-HMXCVIKNSA-N 1 3 355.526 2.676 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084598896 996704295 /nfs/dbraw/zinc/70/42/95/996704295.db2.gz KPQYVEYUKHFJFI-BHIFYINESA-N 1 3 369.553 2.884 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084598896 996704298 /nfs/dbraw/zinc/70/42/98/996704298.db2.gz KPQYVEYUKHFJFI-BHIFYINESA-N 1 3 369.553 2.884 20 0 FFADHO CCCN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000844174153 997695075 /nfs/dbraw/zinc/69/50/75/997695075.db2.gz NORHDMRKLQWKDB-LEWJYISDSA-N 1 3 373.541 2.658 20 0 FFADHO C[NH2+]Cc1ccccc1CNCc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000844904420 998213746 /nfs/dbraw/zinc/21/37/46/998213746.db2.gz LKAPBTNJQKWZSI-UHFFFAOYSA-N 1 3 356.466 2.864 20 0 FFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001084941557 998249113 /nfs/dbraw/zinc/24/91/13/998249113.db2.gz PHVDWIBKUXKFER-GIVPXCGWSA-N 1 3 371.500 2.590 20 0 FFADHO C[C@@H](C(=O)NCCc1cccs1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793404 1016202689 /nfs/dbraw/zinc/20/26/89/1016202689.db2.gz CFCYYFSBWNTYCX-KRWDZBQOSA-N 1 3 371.550 2.788 20 0 FFADHO C[N@@H+]1CCC[C@H](CC(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273256044 998725023 /nfs/dbraw/zinc/72/50/23/998725023.db2.gz SPEHWHXEHOUDLR-WIYYLYMNSA-N 1 3 358.530 2.561 20 0 FFADHO C[N@H+]1CCC[C@H](CC(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273256044 998725025 /nfs/dbraw/zinc/72/50/25/998725025.db2.gz SPEHWHXEHOUDLR-WIYYLYMNSA-N 1 3 358.530 2.561 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000903840791 1016252245 /nfs/dbraw/zinc/25/22/45/1016252245.db2.gz UNLVIWFKJRPMPP-NASSWSRMSA-N 1 3 352.478 2.905 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1)N1CCCCC1 ZINC001085197990 999135236 /nfs/dbraw/zinc/13/52/36/999135236.db2.gz WINZPDUPHIHJBH-RTBURBONSA-N 1 3 358.530 2.863 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2F)CC[N@@H+]1C ZINC001085204020 999157750 /nfs/dbraw/zinc/15/77/50/999157750.db2.gz PNLRZPOJDAHIBZ-MOIQIXESSA-N 1 3 365.468 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2F)CC[N@H+]1C ZINC001085204020 999157753 /nfs/dbraw/zinc/15/77/53/999157753.db2.gz PNLRZPOJDAHIBZ-MOIQIXESSA-N 1 3 365.468 2.822 20 0 FFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001085244941 999242773 /nfs/dbraw/zinc/24/27/73/999242773.db2.gz FMCZYGQBBFFNJE-JFIYKMOQSA-N 1 3 370.497 2.829 20 0 FFADHO Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)cs1 ZINC001085260547 999273745 /nfs/dbraw/zinc/27/37/45/999273745.db2.gz SKUJHVHDBKLTJE-QZTJIDSGSA-N 1 3 369.494 2.930 20 0 FFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001085332950 999379311 /nfs/dbraw/zinc/37/93/11/999379311.db2.gz SYYQTAPTXVDPJS-GDIGMMSISA-N 1 3 365.468 2.824 20 0 FFADHO COc1cccc([C@@]2(C)CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903933257 1016312918 /nfs/dbraw/zinc/31/29/18/1016312918.db2.gz NFDMGAVEQPEEEN-UWJYYQICSA-N 1 3 356.514 2.518 20 0 FFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090733 999761688 /nfs/dbraw/zinc/76/16/88/999761688.db2.gz OHIYOVKEWWXKBZ-WCXIOVBPSA-N 1 3 363.933 2.973 20 0 FFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086090733 999761690 /nfs/dbraw/zinc/76/16/90/999761690.db2.gz OHIYOVKEWWXKBZ-WCXIOVBPSA-N 1 3 363.933 2.973 20 0 FFADHO CCOc1ccc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c(C)c1 ZINC001276126932 1016370560 /nfs/dbraw/zinc/37/05/60/1016370560.db2.gz MXXLEPPRJLIOKD-NRFANRHFSA-N 1 3 359.514 2.522 20 0 FFADHO CCC[NH+]1CCC(N[C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168890645 1000003743 /nfs/dbraw/zinc/00/37/43/1000003743.db2.gz BXWQDVKTZQRWLF-IBGZPJMESA-N 1 3 359.514 2.650 20 0 FFADHO CCCC[N@H+](C)CCCN[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168893568 1000003950 /nfs/dbraw/zinc/00/39/50/1000003950.db2.gz RGDYAROEZAKABC-LJQANCHMSA-N 1 3 361.530 2.898 20 0 FFADHO CCCC[N@@H+](C)CCCN[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168893568 1000003951 /nfs/dbraw/zinc/00/39/51/1000003951.db2.gz RGDYAROEZAKABC-LJQANCHMSA-N 1 3 361.530 2.898 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000846049750 1000197276 /nfs/dbraw/zinc/19/72/76/1000197276.db2.gz HHJUYCPFIPEMFJ-RTWAWAEBSA-N 1 3 372.557 2.742 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000846049750 1000197279 /nfs/dbraw/zinc/19/72/79/1000197279.db2.gz HHJUYCPFIPEMFJ-RTWAWAEBSA-N 1 3 372.557 2.742 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001110115572 1000337530 /nfs/dbraw/zinc/33/75/30/1000337530.db2.gz XWEJAGROAWGNQZ-ZRNYENFQSA-N 1 3 363.546 2.543 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1ccccc1)N(C)C ZINC001109426875 1000437783 /nfs/dbraw/zinc/43/77/83/1000437783.db2.gz CEWQGEMHNXRTPH-ANULTFPQSA-N 1 3 357.542 2.927 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCc1ccccc1)N(C)C ZINC001109426875 1000437787 /nfs/dbraw/zinc/43/77/87/1000437787.db2.gz CEWQGEMHNXRTPH-ANULTFPQSA-N 1 3 357.542 2.927 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001109473885 1000519155 /nfs/dbraw/zinc/51/91/55/1000519155.db2.gz ISXMJUAOYAZREJ-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001109473885 1000519160 /nfs/dbraw/zinc/51/91/60/1000519160.db2.gz ISXMJUAOYAZREJ-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO COc1cccc2cc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)oc21 ZINC000769528323 1000542632 /nfs/dbraw/zinc/54/26/32/1000542632.db2.gz VDOSGMVXVHWRPM-VQIMIIECSA-N 1 3 357.498 2.899 20 0 FFADHO COc1cccc2cc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)oc21 ZINC000769528323 1000542635 /nfs/dbraw/zinc/54/26/35/1000542635.db2.gz VDOSGMVXVHWRPM-VQIMIIECSA-N 1 3 357.498 2.899 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001091672553 1001016967 /nfs/dbraw/zinc/01/69/67/1001016967.db2.gz QZQAAOCWRMCITA-GCJKJVERSA-N 1 3 370.541 2.626 20 0 FFADHO CC(C)[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC001148130502 1001047673 /nfs/dbraw/zinc/04/76/73/1001047673.db2.gz NOYQKVQGOLYXOV-WOJBJXKFSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC001148130502 1001047682 /nfs/dbraw/zinc/04/76/82/1001047682.db2.gz NOYQKVQGOLYXOV-WOJBJXKFSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002635 1001283164 /nfs/dbraw/zinc/28/31/64/1001283164.db2.gz OFBJACNEPINGHF-QYZOEREBSA-N 1 3 353.551 2.503 20 0 FFADHO CC[N@H+](CCCC(=O)N1CC(C)(N(C)C)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051104 1002134831 /nfs/dbraw/zinc/13/48/31/1002134831.db2.gz PPTPDMIHSSTNFH-QGZVFWFLSA-N 1 3 361.530 2.588 20 0 FFADHO CC[N@@H+](CCCC(=O)N1CC(C)(N(C)C)C1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051104 1002134837 /nfs/dbraw/zinc/13/48/37/1002134837.db2.gz PPTPDMIHSSTNFH-QGZVFWFLSA-N 1 3 361.530 2.588 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC001092050483 1002321444 /nfs/dbraw/zinc/32/14/44/1002321444.db2.gz UNHAOUBFTVCVSH-JJXUHFIVSA-N 1 3 368.456 2.559 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC001092050483 1002321454 /nfs/dbraw/zinc/32/14/54/1002321454.db2.gz UNHAOUBFTVCVSH-JJXUHFIVSA-N 1 3 368.456 2.559 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC001184364018 1002566548 /nfs/dbraw/zinc/56/65/48/1002566548.db2.gz JZKRNHAXYYQMPH-QNWVGRARSA-N 1 3 374.569 2.848 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC001184364018 1002566556 /nfs/dbraw/zinc/56/65/56/1002566556.db2.gz JZKRNHAXYYQMPH-QNWVGRARSA-N 1 3 374.569 2.848 20 0 FFADHO C[C@H](C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O)C(F)(F)F ZINC001276284997 1016715895 /nfs/dbraw/zinc/71/58/95/1016715895.db2.gz KRHXGQSBBZRCON-RDTXWAMCSA-N 1 3 369.431 2.737 20 0 FFADHO C[C@H](C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O)C(F)(F)F ZINC001276284997 1016715909 /nfs/dbraw/zinc/71/59/09/1016715909.db2.gz KRHXGQSBBZRCON-RDTXWAMCSA-N 1 3 369.431 2.737 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN([C@H](C)Cc3ccccc3Cl)CC[C@@H]2C1 ZINC001170273294 1003082166 /nfs/dbraw/zinc/08/21/66/1003082166.db2.gz LDXAYUZCKGMCSY-YVWKXTFCSA-N 1 3 366.933 2.940 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN([C@H](C)Cc3ccccc3Cl)CC[C@@H]2C1 ZINC001170273294 1003082177 /nfs/dbraw/zinc/08/21/77/1003082177.db2.gz LDXAYUZCKGMCSY-YVWKXTFCSA-N 1 3 366.933 2.940 20 0 FFADHO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)c3ccn4cncc4c3)[C@H](C)C2)o1 ZINC001092782198 1003575976 /nfs/dbraw/zinc/57/59/76/1003575976.db2.gz GYSLXPGTHQBGGC-FRFSOERESA-N 1 3 367.453 2.690 20 0 FFADHO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)c3ccn4cncc4c3)[C@H](C)C2)o1 ZINC001092782198 1003575982 /nfs/dbraw/zinc/57/59/82/1003575982.db2.gz GYSLXPGTHQBGGC-FRFSOERESA-N 1 3 367.453 2.690 20 0 FFADHO CCOC(=O)C1=C(Nc2ccc(OC)cc2C[NH+](CC)CC)CCNC1 ZINC001170520499 1004536651 /nfs/dbraw/zinc/53/66/51/1004536651.db2.gz IKSUGBADLYBZKP-UHFFFAOYSA-N 1 3 361.486 2.759 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ccc4nncn4c3)c3ccccc23)CC1 ZINC001170527763 1004635585 /nfs/dbraw/zinc/63/55/85/1004635585.db2.gz AWPQKXRCCLWCJN-UHFFFAOYSA-N 1 3 360.465 2.639 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001489116700 1005413330 /nfs/dbraw/zinc/41/33/30/1005413330.db2.gz INLKZDBMNWGYMN-XUVXKRRUSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001489116700 1005413331 /nfs/dbraw/zinc/41/33/31/1005413331.db2.gz INLKZDBMNWGYMN-XUVXKRRUSA-N 1 3 365.562 2.789 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1 ZINC001489204958 1005431875 /nfs/dbraw/zinc/43/18/75/1005431875.db2.gz ALADHJFLOFYYAR-MJGOQNOKSA-N 1 3 361.505 2.838 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001110615026 1005756106 /nfs/dbraw/zinc/75/61/06/1005756106.db2.gz BJKYQXBQROPRLM-WCIQWLHISA-N 1 3 361.505 2.631 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001110615026 1005756109 /nfs/dbraw/zinc/75/61/09/1005756109.db2.gz BJKYQXBQROPRLM-WCIQWLHISA-N 1 3 361.505 2.631 20 0 FFADHO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850563679 1005822813 /nfs/dbraw/zinc/82/28/13/1005822813.db2.gz ZUICUNNHNZLUDM-JBACZVJFSA-N 1 3 370.541 2.777 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001086712199 1005966581 /nfs/dbraw/zinc/96/65/81/1005966581.db2.gz VAQYWRDRRZSBMP-LZLYRXPVSA-N 1 3 364.559 2.700 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC001086712255 1005968181 /nfs/dbraw/zinc/96/81/81/1005968181.db2.gz XJFGTJMBQPRYFT-SXLOBPIMSA-N 1 3 358.530 2.639 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cc1C ZINC001097100979 1017035532 /nfs/dbraw/zinc/03/55/32/1017035532.db2.gz FFQZHSBUXHPBRV-MLZLACJZSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)cc1C ZINC001097100979 1017035546 /nfs/dbraw/zinc/03/55/46/1017035546.db2.gz FFQZHSBUXHPBRV-MLZLACJZSA-N 1 3 355.526 2.865 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001097101612 1017037889 /nfs/dbraw/zinc/03/78/89/1017037889.db2.gz SLBRGVLNWGGNCZ-KQSFDKENSA-N 1 3 367.537 2.737 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001097101612 1017037891 /nfs/dbraw/zinc/03/78/91/1017037891.db2.gz SLBRGVLNWGGNCZ-KQSFDKENSA-N 1 3 367.537 2.737 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001097101314 1017038615 /nfs/dbraw/zinc/03/86/15/1017038615.db2.gz MEUZKCXDUCLJKO-WEUUYRGXSA-N 1 3 355.526 2.811 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001097101314 1017038628 /nfs/dbraw/zinc/03/86/28/1017038628.db2.gz MEUZKCXDUCLJKO-WEUUYRGXSA-N 1 3 355.526 2.811 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CC4CCC3CC4)cc2)CC1 ZINC000814652196 1006379185 /nfs/dbraw/zinc/37/91/85/1006379185.db2.gz VRTKGKQXRXWKAF-NGICGMGXSA-N 1 3 370.541 2.935 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205315 1006463493 /nfs/dbraw/zinc/46/34/93/1006463493.db2.gz JZDCTOFZGCQXQR-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205315 1006463497 /nfs/dbraw/zinc/46/34/97/1006463497.db2.gz JZDCTOFZGCQXQR-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231582 1006734071 /nfs/dbraw/zinc/73/40/71/1006734071.db2.gz LJBVJFZOHPAPAI-CQSZACIVSA-N 1 3 353.470 2.619 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883426822 1006787364 /nfs/dbraw/zinc/78/73/64/1006787364.db2.gz AQDHFMVQWAZCQM-XUVXKRRUSA-N 1 3 359.514 2.616 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)nc(C2CC2)c1 ZINC000855344949 1007292965 /nfs/dbraw/zinc/29/29/65/1007292965.db2.gz JLHHWVRLKLFAKB-ZDUSSCGKSA-N 1 3 352.910 2.614 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)nc(C2CC2)c1 ZINC000855344949 1007292972 /nfs/dbraw/zinc/29/29/72/1007292972.db2.gz JLHHWVRLKLFAKB-ZDUSSCGKSA-N 1 3 352.910 2.614 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1nc2ccccc2s1 ZINC000855345644 1007295131 /nfs/dbraw/zinc/29/51/31/1007295131.db2.gz DVEVGLTYFXKOHD-NKSUMMKUSA-N 1 3 360.527 2.698 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1nc2ccccc2s1 ZINC000855345644 1007295140 /nfs/dbraw/zinc/29/51/40/1007295140.db2.gz DVEVGLTYFXKOHD-NKSUMMKUSA-N 1 3 360.527 2.698 20 0 FFADHO C[C@]1(C[NH3+])CCCN(Cc2sc(N3CCC(O)CC3)nc2Cl)CC1 ZINC001206310706 1032220986 /nfs/dbraw/zinc/22/09/86/1032220986.db2.gz AIGUYKUOQSYXFU-KRWDZBQOSA-N 1 3 372.966 2.709 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCOC3CCCCCC3)C2)CC[N@@H+]1C ZINC001190238724 1007532278 /nfs/dbraw/zinc/53/22/78/1007532278.db2.gz OXBZFVSGOPOACC-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCOC3CCCCCC3)C2)CC[N@H+]1C ZINC001190238724 1007532285 /nfs/dbraw/zinc/53/22/85/1007532285.db2.gz OXBZFVSGOPOACC-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1nc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001170861292 1007537890 /nfs/dbraw/zinc/53/78/90/1007537890.db2.gz BLUBLAUCSSMFDU-JJRVBVJISA-N 1 3 366.575 2.865 20 0 FFADHO Cc1nc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001170861292 1007537898 /nfs/dbraw/zinc/53/78/98/1007537898.db2.gz BLUBLAUCSSMFDU-JJRVBVJISA-N 1 3 366.575 2.865 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)ccc1OC ZINC000775381602 1007606827 /nfs/dbraw/zinc/60/68/27/1007606827.db2.gz TWCJIYXNGVHTAD-QZTJIDSGSA-N 1 3 363.546 2.908 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000817928779 1007797917 /nfs/dbraw/zinc/79/79/17/1007797917.db2.gz ANLUZMPOTJTGPW-HMWXGYMHSA-N 1 3 352.482 2.719 20 0 FFADHO CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C[NH2+]C)cc3)cc2)CC1 ZINC001190839712 1007803666 /nfs/dbraw/zinc/80/36/66/1007803666.db2.gz HZXNAAWIGTWKIQ-UHFFFAOYSA-N 1 3 366.509 2.796 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCc3cn(C(C)C)nc32)CC[NH2+]CC1 ZINC000817925470 1007812919 /nfs/dbraw/zinc/81/29/19/1007812919.db2.gz WZHXCZHIOLCYDE-WBVHZDCISA-N 1 3 362.518 2.752 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCc3cn(C(C)C)nc32)CC[NH2+]CC1 ZINC000817925467 1007812938 /nfs/dbraw/zinc/81/29/38/1007812938.db2.gz WZHXCZHIOLCYDE-DOTOQJQBSA-N 1 3 362.518 2.752 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001086820219 1007900381 /nfs/dbraw/zinc/90/03/81/1007900381.db2.gz UUNYZVHMNNDDEH-GVDBMIGSSA-N 1 3 364.559 2.781 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001086820219 1007900386 /nfs/dbraw/zinc/90/03/86/1007900386.db2.gz UUNYZVHMNNDDEH-GVDBMIGSSA-N 1 3 364.559 2.781 20 0 FFADHO CC(C)OC(=O)CCN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856600022 1007910854 /nfs/dbraw/zinc/91/08/54/1007910854.db2.gz PQNWWIQUONIJJL-IBGZPJMESA-N 1 3 363.502 2.717 20 0 FFADHO CC(C)OC(=O)CCN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856600022 1007910864 /nfs/dbraw/zinc/91/08/64/1007910864.db2.gz PQNWWIQUONIJJL-IBGZPJMESA-N 1 3 363.502 2.717 20 0 FFADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccc(F)c1 ZINC000819122391 1008048990 /nfs/dbraw/zinc/04/89/90/1008048990.db2.gz VVOXHYLQVVGFOM-NRFANRHFSA-N 1 3 358.457 2.606 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748636 1008377753 /nfs/dbraw/zinc/37/77/53/1008377753.db2.gz MCJLABIXGXKXHK-QRVBRYPASA-N 1 3 365.562 2.788 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748636 1008377757 /nfs/dbraw/zinc/37/77/57/1008377757.db2.gz MCJLABIXGXKXHK-QRVBRYPASA-N 1 3 365.562 2.788 20 0 FFADHO C[N@H+](CCCN1CCCC1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000823016616 1008852122 /nfs/dbraw/zinc/85/21/22/1008852122.db2.gz YNASEHYROQXWNP-FQEVSTJZSA-N 1 3 369.550 2.556 20 0 FFADHO C[N@@H+](CCCN1CCCC1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000823016616 1008852139 /nfs/dbraw/zinc/85/21/39/1008852139.db2.gz YNASEHYROQXWNP-FQEVSTJZSA-N 1 3 369.550 2.556 20 0 FFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)[C@@H]2C1 ZINC001274173216 1009561219 /nfs/dbraw/zinc/56/12/19/1009561219.db2.gz SMHWBWHBLWXKTG-JENIJYKNSA-N 1 3 361.917 2.715 20 0 FFADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)[C@@H]2C1 ZINC001274173216 1009561232 /nfs/dbraw/zinc/56/12/32/1009561232.db2.gz SMHWBWHBLWXKTG-JENIJYKNSA-N 1 3 361.917 2.715 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000889769229 1010104601 /nfs/dbraw/zinc/10/46/01/1010104601.db2.gz KGWBVOXHZWABSA-NHCUHLMSSA-N 1 3 373.541 2.590 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000889769229 1010104607 /nfs/dbraw/zinc/10/46/07/1010104607.db2.gz KGWBVOXHZWABSA-NHCUHLMSSA-N 1 3 373.541 2.590 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093225828 1010170001 /nfs/dbraw/zinc/17/00/01/1010170001.db2.gz SWZJAXCZUXQYMA-IEBWSBKVSA-N 1 3 366.509 2.641 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093225828 1010170007 /nfs/dbraw/zinc/17/00/07/1010170007.db2.gz SWZJAXCZUXQYMA-IEBWSBKVSA-N 1 3 366.509 2.641 20 0 FFADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1c2ccccc2-c2ccccc21 ZINC001181918113 1010305709 /nfs/dbraw/zinc/30/57/09/1010305709.db2.gz AQLMUNNBUZZORZ-UHFFFAOYSA-N 1 3 350.466 2.863 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001093770436 1010543252 /nfs/dbraw/zinc/54/32/52/1010543252.db2.gz PXEWVADXABNOFK-NVXWUHKLSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001093824509 1010596890 /nfs/dbraw/zinc/59/68/90/1010596890.db2.gz YWSVYUUDHIHRSQ-ZTFGCOKTSA-N 1 3 371.516 2.836 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001093835915 1010606693 /nfs/dbraw/zinc/60/66/93/1010606693.db2.gz PBWPWSVXRGOPIQ-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001093835915 1010606696 /nfs/dbraw/zinc/60/66/96/1010606696.db2.gz PBWPWSVXRGOPIQ-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1)N(C)C ZINC001093857604 1010633815 /nfs/dbraw/zinc/63/38/15/1010633815.db2.gz NNFPBTTVQUVUEH-DJIMGWMZSA-N 1 3 359.505 2.836 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C[C@@H](C)O1 ZINC000865470832 1010793516 /nfs/dbraw/zinc/79/35/16/1010793516.db2.gz GTRSKRDFGTUWCV-RTBURBONSA-N 1 3 373.541 2.902 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001094041146 1010803629 /nfs/dbraw/zinc/80/36/29/1010803629.db2.gz XKZOFCYFVGZBIK-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001094042277 1010804676 /nfs/dbraw/zinc/80/46/76/1010804676.db2.gz QGIHDHOHWPQCQD-LDQXTDLNSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccccc3Cl)[C@H](C)C2)C1 ZINC001094042507 1010805442 /nfs/dbraw/zinc/80/54/42/1010805442.db2.gz VYJVEZRZKPTTSJ-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c(C)s1 ZINC001094043736 1010806505 /nfs/dbraw/zinc/80/65/05/1010806505.db2.gz WHVBCKCQPVAILZ-QMTMVMCOSA-N 1 3 363.571 2.891 20 0 FFADHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000866262955 1010965494 /nfs/dbraw/zinc/96/54/94/1010965494.db2.gz JJYBHNACAPMQCD-QVKFZJNVSA-N 1 3 361.505 2.981 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC001094241564 1010984940 /nfs/dbraw/zinc/98/49/40/1010984940.db2.gz OTSMDKXWPKUQQG-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2)OC ZINC001110857746 1011242396 /nfs/dbraw/zinc/24/23/96/1011242396.db2.gz PGJBWMRHNPNTEL-HCXYKTFWSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001274396629 1011422613 /nfs/dbraw/zinc/42/26/13/1011422613.db2.gz IGUJBBVCLTWMGL-GHTZIAJQSA-N 1 3 358.530 2.560 20 0 FFADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001274396629 1011422624 /nfs/dbraw/zinc/42/26/24/1011422624.db2.gz IGUJBBVCLTWMGL-GHTZIAJQSA-N 1 3 358.530 2.560 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001274418808 1011432887 /nfs/dbraw/zinc/43/28/87/1011432887.db2.gz LKRNHQHMIFRUTB-UHFFFAOYSA-N 1 3 361.452 2.739 20 0 FFADHO Cc1nc(=N)n([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1CN ZINC001172079517 1011615754 /nfs/dbraw/zinc/61/57/54/1011615754.db2.gz OSAHLUMVQXSXQM-ACDBMABISA-N 1 3 351.498 2.888 20 0 FFADHO Cc1nc(=N)n([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1CN ZINC001172079517 1011615765 /nfs/dbraw/zinc/61/57/65/1011615765.db2.gz OSAHLUMVQXSXQM-ACDBMABISA-N 1 3 351.498 2.888 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172081183 1011617358 /nfs/dbraw/zinc/61/73/58/1011617358.db2.gz AWYZRAIQUILNTF-BQJUDKOJSA-N 1 3 372.509 2.836 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172081183 1011617364 /nfs/dbraw/zinc/61/73/64/1011617364.db2.gz AWYZRAIQUILNTF-BQJUDKOJSA-N 1 3 372.509 2.836 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001172251142 1011723024 /nfs/dbraw/zinc/72/30/24/1011723024.db2.gz BRTMVXFXVYPQJM-ZBFHGGJFSA-N 1 3 352.441 2.513 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C)sn1 ZINC001216980873 1032579165 /nfs/dbraw/zinc/57/91/65/1032579165.db2.gz SWBDFOGZICIDSZ-CRAIPNDOSA-N 1 3 364.559 2.654 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000646337324 1011861922 /nfs/dbraw/zinc/86/19/22/1011861922.db2.gz ZAOPZBVXSGOGRC-JRGCBEDISA-N 1 3 355.526 2.540 20 0 FFADHO COC(=O)N1CCC(N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)CC1 ZINC001172738495 1011974986 /nfs/dbraw/zinc/97/49/86/1011974986.db2.gz XLGSQOFFBFUGTH-UHFFFAOYSA-N 1 3 368.481 2.896 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000122960516 1012169297 /nfs/dbraw/zinc/16/92/97/1012169297.db2.gz GCRJZCUQTCBOKK-XDNAFOTISA-N 1 3 369.550 2.911 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870182828 1012243095 /nfs/dbraw/zinc/24/30/95/1012243095.db2.gz LTKMSYRUGUMSEN-HXUWFJFHSA-N 1 3 355.526 2.867 20 0 FFADHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2CCc3ncsc3C2)CC1 ZINC001173123117 1012263151 /nfs/dbraw/zinc/26/31/51/1012263151.db2.gz ABAVEFUGIVVEOV-SFHVURJKSA-N 1 3 356.539 2.538 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275418283 1012441694 /nfs/dbraw/zinc/44/16/94/1012441694.db2.gz ZDDJQUFRMDMPQQ-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275418283 1012441701 /nfs/dbraw/zinc/44/17/01/1012441701.db2.gz ZDDJQUFRMDMPQQ-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CC[C@@H](NC(C)(C)C[NH3+])C[C@@H]1C(=O)OC(C)(C)C ZINC001173370627 1012513887 /nfs/dbraw/zinc/51/38/87/1012513887.db2.gz ZTJGNYXNBZHWCV-ILXRZTDVSA-N 1 3 370.534 2.782 20 0 FFADHO COc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@H](N(C)C)C3)CC2)cc1 ZINC001173402136 1012528520 /nfs/dbraw/zinc/52/85/20/1012528520.db2.gz OUYURCDYUBWOTA-MOPGFXCFSA-N 1 3 359.514 2.762 20 0 FFADHO Cc1cc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc(N2CCN(C(C)C)CC2)c1 ZINC000870930555 1012643400 /nfs/dbraw/zinc/64/34/00/1012643400.db2.gz ZYIJXXHMDNESSN-WWMYMODYSA-N 1 3 356.514 2.591 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000870958797 1012652494 /nfs/dbraw/zinc/65/24/94/1012652494.db2.gz LGPIHUMFMKGLSD-NRFANRHFSA-N 1 3 372.557 2.920 20 0 FFADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978006 1012653167 /nfs/dbraw/zinc/65/31/67/1012653167.db2.gz KXSYQRPHBCAGKB-AZUAARDMSA-N 1 3 373.541 2.551 20 0 FFADHO COc1ccccc1N1CC[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977958 1012655157 /nfs/dbraw/zinc/65/51/57/1012655157.db2.gz KDWXDKRBPHUAPB-LNLFQRSKSA-N 1 3 357.498 2.512 20 0 FFADHO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)C1 ZINC001173620261 1012777561 /nfs/dbraw/zinc/77/75/61/1012777561.db2.gz FXJWUQWRZWSKSA-GHTZIAJQSA-N 1 3 373.541 2.646 20 0 FFADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001173630181 1012801641 /nfs/dbraw/zinc/80/16/41/1012801641.db2.gz GFZPXSIZOTUQER-HKUYNNGSSA-N 1 3 352.519 2.589 20 0 FFADHO COc1ccc(-c2cc(CN(C)CCN(C)C3CC[NH+](C)CC3)on2)cc1 ZINC000678720216 1017526913 /nfs/dbraw/zinc/52/69/13/1017526913.db2.gz SRPVOMAYCPUPCJ-UHFFFAOYSA-N 1 3 372.513 2.808 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925325248 1017710012 /nfs/dbraw/zinc/71/00/12/1017710012.db2.gz GDYPTLWZEGWLIV-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925325248 1017710025 /nfs/dbraw/zinc/71/00/25/1017710025.db2.gz GDYPTLWZEGWLIV-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000925786169 1017850406 /nfs/dbraw/zinc/85/04/06/1017850406.db2.gz WKJRJJPCNBXZNT-ZBFHGGJFSA-N 1 3 364.440 2.895 20 0 FFADHO OCCN1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000925831095 1017864106 /nfs/dbraw/zinc/86/41/06/1017864106.db2.gz LZIJVDPCPWFSCK-FRIKZZABSA-N 1 3 357.542 2.618 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680269540 1017888321 /nfs/dbraw/zinc/88/83/21/1017888321.db2.gz LNYUNFVKJTXVEU-XRXFAXGQSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680269540 1017888340 /nfs/dbraw/zinc/88/83/40/1017888340.db2.gz LNYUNFVKJTXVEU-XRXFAXGQSA-N 1 3 357.542 2.990 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)CC1 ZINC000680483746 1018011062 /nfs/dbraw/zinc/01/10/62/1018011062.db2.gz QPUPDOAGMBXIOI-IBGZPJMESA-N 1 3 357.542 2.902 20 0 FFADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000926880898 1018280284 /nfs/dbraw/zinc/28/02/84/1018280284.db2.gz ZTUFWQKYSMMHQY-QGPPMGRFSA-N 1 3 373.488 2.809 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927288553 1018448365 /nfs/dbraw/zinc/44/83/65/1018448365.db2.gz JVCVCOCUXQTAJE-UHFFFAOYSA-N 1 3 373.545 2.562 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cccnc2C)CC[N@@H+]1C ZINC001045781717 1020129616 /nfs/dbraw/zinc/12/96/16/1020129616.db2.gz VKVZMFVDDSNTDQ-IVAOSVALSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2cccnc2C)CC[N@H+]1C ZINC001045781717 1020129620 /nfs/dbraw/zinc/12/96/20/1020129620.db2.gz VKVZMFVDDSNTDQ-IVAOSVALSA-N 1 3 370.541 2.686 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)C1 ZINC001096345283 1020171009 /nfs/dbraw/zinc/17/10/09/1020171009.db2.gz LPEAZSHAYMLFRY-XGARDCMYSA-N 1 3 367.537 2.739 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)C1 ZINC001096345283 1020171013 /nfs/dbraw/zinc/17/10/13/1020171013.db2.gz LPEAZSHAYMLFRY-XGARDCMYSA-N 1 3 367.537 2.739 20 0 FFADHO CN(C)CCn1nccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000900179982 1020239107 /nfs/dbraw/zinc/23/91/07/1020239107.db2.gz DILVQOJQCZZDNT-UHFFFAOYSA-N 1 3 355.486 2.683 20 0 FFADHO OC1(C2CCC2)CCN(C/C=C\C[NH+]2CCC(O)(C3CCC3)CC2)CC1 ZINC000932813584 1020907055 /nfs/dbraw/zinc/90/70/55/1020907055.db2.gz GYRBYDKUQSHVCY-UPHRSURJSA-N 1 3 362.558 2.797 20 0 FFADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](C/C=C\Cl)C2)c1ccn(-c2ccncc2)n1 ZINC001098938899 1021442809 /nfs/dbraw/zinc/44/28/09/1021442809.db2.gz JRLMZXQCJZWSEH-AFUINASBSA-N 1 3 371.872 2.604 20 0 FFADHO O=C(N[C@]12CCC[C@H]1C[N@H+](C/C=C\Cl)C2)c1ccn(-c2ccncc2)n1 ZINC001098938899 1021442814 /nfs/dbraw/zinc/44/28/14/1021442814.db2.gz JRLMZXQCJZWSEH-AFUINASBSA-N 1 3 371.872 2.604 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC001117965341 1021995101 /nfs/dbraw/zinc/99/51/01/1021995101.db2.gz RDOXSADULAIQBE-UYAOXDASSA-N 1 3 370.541 2.825 20 0 FFADHO CC(C)C[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH2+][C@H](C)c1ccccc1 ZINC000829236439 1033057182 /nfs/dbraw/zinc/05/71/82/1033057182.db2.gz KSIAKQFXWKJUME-WBVHZDCISA-N 1 3 369.513 2.551 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2scnc2C)C1)N(C)C ZINC001099453672 1022553950 /nfs/dbraw/zinc/55/39/50/1022553950.db2.gz QFPBYMGJLJUTIC-FCEWJHQRSA-N 1 3 364.559 2.510 20 0 FFADHO O[C@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1ccccc1C(F)(F)F ZINC001120607639 1023383782 /nfs/dbraw/zinc/38/37/82/1023383782.db2.gz GEIQJZJDNQTBJZ-QLFBSQMISA-N 1 3 358.404 2.662 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001120621436 1023390894 /nfs/dbraw/zinc/39/08/94/1023390894.db2.gz BEWJXHIXCVUXMK-FXAWDEMLSA-N 1 3 358.530 2.844 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001120621436 1023390902 /nfs/dbraw/zinc/39/09/02/1023390902.db2.gz BEWJXHIXCVUXMK-FXAWDEMLSA-N 1 3 358.530 2.844 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001120647327 1023402494 /nfs/dbraw/zinc/40/24/94/1023402494.db2.gz YZJNYGCVNWNAHM-WSTZPKSXSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)C3CCCC3)cc2)CC1 ZINC000754784700 1023517649 /nfs/dbraw/zinc/51/76/49/1023517649.db2.gz XULZJRUJPMUVSK-KRWDZBQOSA-N 1 3 358.530 2.935 20 0 FFADHO C[NH+]1CCC(CNc2nc3ccccn3c2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000078457605 1023841619 /nfs/dbraw/zinc/84/16/19/1023841619.db2.gz KFCRHQQZQMCYSZ-UHFFFAOYSA-N 1 3 372.473 2.605 20 0 FFADHO CN(C)[C@H](CNC(=O)c1cnc(CC2CC[NH2+]CC2)s1)c1ccccc1 ZINC001121975937 1024224505 /nfs/dbraw/zinc/22/45/05/1024224505.db2.gz XBYFFUWWXYHTFP-QGZVFWFLSA-N 1 3 372.538 2.718 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(c2)OCC[NH2+]C3)C1 ZINC001121989209 1024240285 /nfs/dbraw/zinc/24/02/85/1024240285.db2.gz PNMCMWAUKPMFIJ-OXQOHEQNSA-N 1 3 365.477 2.734 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cc21 ZINC001122131141 1024368109 /nfs/dbraw/zinc/36/81/09/1024368109.db2.gz YKRKWDAACAKIRB-KRWDZBQOSA-N 1 3 353.470 2.915 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)c(Cl)c1 ZINC001101351687 1024526155 /nfs/dbraw/zinc/52/61/55/1024526155.db2.gz LJFHRCDBVODOJS-XLIONFOSSA-N 1 3 363.933 2.880 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101369015 1024560969 /nfs/dbraw/zinc/56/09/69/1024560969.db2.gz ZFSQPJIFKVNUJG-NQIIRXRSSA-N 1 3 367.578 2.560 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101369015 1024560979 /nfs/dbraw/zinc/56/09/79/1024560979.db2.gz ZFSQPJIFKVNUJG-NQIIRXRSSA-N 1 3 367.578 2.560 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@@]2(C)C1 ZINC001101397957 1024632338 /nfs/dbraw/zinc/63/23/38/1024632338.db2.gz PJNHFRHCLZOWMF-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@@]2(C)C1 ZINC001101397957 1024632344 /nfs/dbraw/zinc/63/23/44/1024632344.db2.gz PJNHFRHCLZOWMF-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(CC)c3)C[C@@]2(C)C1 ZINC001101438563 1024744148 /nfs/dbraw/zinc/74/41/48/1024744148.db2.gz GHLRAIPVKBQKQS-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@@]2(C)C1 ZINC001101438563 1024744161 /nfs/dbraw/zinc/74/41/61/1024744161.db2.gz GHLRAIPVKBQKQS-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCc3ccc(CC)cc3)C[C@@]2(C)C1 ZINC001101443552 1024759395 /nfs/dbraw/zinc/75/93/95/1024759395.db2.gz KLPPOPPRWMUFAZ-GGAORHGYSA-N 1 3 371.569 2.914 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCc3ccc(CC)cc3)C[C@@]2(C)C1 ZINC001101443552 1024759401 /nfs/dbraw/zinc/75/94/01/1024759401.db2.gz KLPPOPPRWMUFAZ-GGAORHGYSA-N 1 3 371.569 2.914 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101476574 1024839174 /nfs/dbraw/zinc/83/91/74/1024839174.db2.gz ZYBOOIYMCCNITM-GGPKGHCWSA-N 1 3 353.526 2.781 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101476574 1024839181 /nfs/dbraw/zinc/83/91/81/1024839181.db2.gz ZYBOOIYMCCNITM-GGPKGHCWSA-N 1 3 353.526 2.781 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001101477316 1024843980 /nfs/dbraw/zinc/84/39/80/1024843980.db2.gz NXXDXNDTRDSJPA-BPGJKTRZSA-N 1 3 355.526 2.820 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1 ZINC001101477316 1024844001 /nfs/dbraw/zinc/84/40/01/1024844001.db2.gz NXXDXNDTRDSJPA-BPGJKTRZSA-N 1 3 355.526 2.820 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@@]2(C)C1 ZINC001101477116 1024844589 /nfs/dbraw/zinc/84/45/89/1024844589.db2.gz DFTYVIRTPZLPPU-WBVHZDCISA-N 1 3 363.468 2.840 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@]2(C)C1 ZINC001101477116 1024844615 /nfs/dbraw/zinc/84/46/15/1024844615.db2.gz DFTYVIRTPZLPPU-WBVHZDCISA-N 1 3 363.468 2.840 20 0 FFADHO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046297 1025349924 /nfs/dbraw/zinc/34/99/24/1025349924.db2.gz WXZOGHAIXYNKAK-YVWKXTFCSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046297 1025349935 /nfs/dbraw/zinc/34/99/35/1025349935.db2.gz WXZOGHAIXYNKAK-YVWKXTFCSA-N 1 3 355.526 2.842 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048692 1025356652 /nfs/dbraw/zinc/35/66/52/1025356652.db2.gz LMZBWWSVRHVLHV-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048692 1025356667 /nfs/dbraw/zinc/35/66/67/1025356667.db2.gz LMZBWWSVRHVLHV-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102048683 1025356712 /nfs/dbraw/zinc/35/67/12/1025356712.db2.gz LDNZFJLLYCGDGN-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102048683 1025356722 /nfs/dbraw/zinc/35/67/22/1025356722.db2.gz LDNZFJLLYCGDGN-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001102103342 1025430595 /nfs/dbraw/zinc/43/05/95/1025430595.db2.gz OLRVIHBUTRJBBM-SJLPKXTDSA-N 1 3 361.530 2.610 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001102103342 1025430601 /nfs/dbraw/zinc/43/06/01/1025430601.db2.gz OLRVIHBUTRJBBM-SJLPKXTDSA-N 1 3 361.530 2.610 20 0 FFADHO CC[C@H](C)N1CCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000837005598 1025495848 /nfs/dbraw/zinc/49/58/48/1025495848.db2.gz QWPYSXUZEGJEMY-YFWYWMRJSA-N 1 3 359.514 2.583 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000638327232 1025784886 /nfs/dbraw/zinc/78/48/86/1025784886.db2.gz XPCVAYRRDHEIOS-UHFFFAOYSA-N 1 3 359.558 2.648 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638358916 1025801795 /nfs/dbraw/zinc/80/17/95/1025801795.db2.gz LZQNNXTYVBVJOJ-OAQYLSRUSA-N 1 3 366.509 2.912 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366369 1025820243 /nfs/dbraw/zinc/82/02/43/1025820243.db2.gz CIBBCBMFAQVDSI-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366369 1025820259 /nfs/dbraw/zinc/82/02/59/1025820259.db2.gz CIBBCBMFAQVDSI-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@H]2C)C1 ZINC001102369648 1025822483 /nfs/dbraw/zinc/82/24/83/1025822483.db2.gz BKBTUIPBYAAHEY-JFIYKMOQSA-N 1 3 371.516 2.838 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2C)C1 ZINC001102369648 1025822498 /nfs/dbraw/zinc/82/24/98/1025822498.db2.gz BKBTUIPBYAAHEY-JFIYKMOQSA-N 1 3 371.516 2.838 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369610 1025829811 /nfs/dbraw/zinc/82/98/11/1025829811.db2.gz AAHJUPSYOYPJNL-PWIZWCRZSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369610 1025829829 /nfs/dbraw/zinc/82/98/29/1025829829.db2.gz AAHJUPSYOYPJNL-PWIZWCRZSA-N 1 3 357.542 2.829 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102377146 1025849701 /nfs/dbraw/zinc/84/97/01/1025849701.db2.gz QKXHKTSBNDKFRN-RTBURBONSA-N 1 3 369.594 2.711 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102377146 1025849710 /nfs/dbraw/zinc/84/97/10/1025849710.db2.gz QKXHKTSBNDKFRN-RTBURBONSA-N 1 3 369.594 2.711 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102475580 1026056445 /nfs/dbraw/zinc/05/64/45/1026056445.db2.gz UUNDWHGVXLUWFZ-JXXFODFXSA-N 1 3 361.505 2.839 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102475580 1026056459 /nfs/dbraw/zinc/05/64/59/1026056459.db2.gz UUNDWHGVXLUWFZ-JXXFODFXSA-N 1 3 361.505 2.839 20 0 FFADHO C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513782 1026179209 /nfs/dbraw/zinc/17/92/09/1026179209.db2.gz APFFQBDXVGYJJX-KBAYOESNSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513782 1026179216 /nfs/dbraw/zinc/17/92/16/1026179216.db2.gz APFFQBDXVGYJJX-KBAYOESNSA-N 1 3 363.933 2.866 20 0 FFADHO CCCn1nccc1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000639589058 1026384654 /nfs/dbraw/zinc/38/46/54/1026384654.db2.gz JCPHOIQOTHMQSP-MJGOQNOKSA-N 1 3 369.513 2.732 20 0 FFADHO COc1ccc(C)cc1C[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600943 1026401340 /nfs/dbraw/zinc/40/13/40/1026401340.db2.gz DGHRCYMIOPCNRX-IEBWSBKVSA-N 1 3 361.530 2.528 20 0 FFADHO COc1ccc(C)cc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600943 1026401345 /nfs/dbraw/zinc/40/13/45/1026401345.db2.gz DGHRCYMIOPCNRX-IEBWSBKVSA-N 1 3 361.530 2.528 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC001102600784 1026401777 /nfs/dbraw/zinc/40/17/77/1026401777.db2.gz VFZJQDGAUJIHFA-IEBWSBKVSA-N 1 3 363.521 2.783 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC001102600784 1026401781 /nfs/dbraw/zinc/40/17/81/1026401781.db2.gz VFZJQDGAUJIHFA-IEBWSBKVSA-N 1 3 363.521 2.783 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C)[NH+]1CCCCC1 ZINC001102601603 1026402846 /nfs/dbraw/zinc/40/28/46/1026402846.db2.gz JKYNXRRSPLFFQE-RCKLCRPTSA-N 1 3 355.954 2.934 20 0 FFADHO Cc1ncc(CNC(=O)CC[NH+]2CCC(NCc3ccccc3)CC2)s1 ZINC000639661420 1026424353 /nfs/dbraw/zinc/42/43/53/1026424353.db2.gz VSLQCXHOLFWHTM-UHFFFAOYSA-N 1 3 372.538 2.712 20 0 FFADHO C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000639755846 1026457759 /nfs/dbraw/zinc/45/77/59/1026457759.db2.gz OQVFIKXLFKJVKF-QFBILLFUSA-N 1 3 359.489 2.905 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001103086402 1026946377 /nfs/dbraw/zinc/94/63/77/1026946377.db2.gz ALPBXAHTTKCRGR-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001103086402 1026946380 /nfs/dbraw/zinc/94/63/80/1026946380.db2.gz ALPBXAHTTKCRGR-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C)N(C)C ZINC001103111710 1026971241 /nfs/dbraw/zinc/97/12/41/1026971241.db2.gz KBYXZWPZEKGPRA-KFWWJZLASA-N 1 3 351.457 2.599 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C)N(C)C ZINC001103111710 1026971248 /nfs/dbraw/zinc/97/12/48/1026971248.db2.gz KBYXZWPZEKGPRA-KFWWJZLASA-N 1 3 351.457 2.599 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1C)N(C)C ZINC001103140054 1026995638 /nfs/dbraw/zinc/99/56/38/1026995638.db2.gz KZIJUZCRLOWFBF-XFQXTVEOSA-N 1 3 360.546 2.613 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C)N(C)C ZINC001103140054 1026995647 /nfs/dbraw/zinc/99/56/47/1026995647.db2.gz KZIJUZCRLOWFBF-XFQXTVEOSA-N 1 3 360.546 2.613 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1C ZINC001103158116 1027012834 /nfs/dbraw/zinc/01/28/34/1027012834.db2.gz UXUXRYGMRURDQV-RHSMWYFYSA-N 1 3 364.534 2.596 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1C ZINC001103158116 1027012836 /nfs/dbraw/zinc/01/28/36/1027012836.db2.gz UXUXRYGMRURDQV-RHSMWYFYSA-N 1 3 364.534 2.596 20 0 FFADHO N[C@H](CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)c1cccc(Cl)c1Cl ZINC001158576676 1027064481 /nfs/dbraw/zinc/06/44/81/1027064481.db2.gz CUTPABXEXSCOTR-MPKXVKKWSA-N 1 3 374.287 2.919 20 0 FFADHO CN1CCC(N(c2cnc(-c3ccccc3)cn2)C2CC[NH2+]CC2)CC1 ZINC001158588751 1027068552 /nfs/dbraw/zinc/06/85/52/1027068552.db2.gz DPUKVNHVBSAUPO-UHFFFAOYSA-N 1 3 351.498 2.796 20 0 FFADHO N[C@H](c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1)C1CCOCC1 ZINC000641179193 1027154123 /nfs/dbraw/zinc/15/41/23/1027154123.db2.gz FVUGBTGSYAZJPN-NRFANRHFSA-N 1 3 369.513 2.739 20 0 FFADHO CN[C@H](C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1)[C@@H](C)OC(C)(C)C ZINC001158968278 1027211986 /nfs/dbraw/zinc/21/19/86/1027211986.db2.gz NCKXHAGLZUJILT-AEFFLSMTSA-N 1 3 365.562 2.645 20 0 FFADHO CN[C@H](C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1)[C@@H](C)OC(C)(C)C ZINC001158968278 1027211999 /nfs/dbraw/zinc/21/19/99/1027211999.db2.gz NCKXHAGLZUJILT-AEFFLSMTSA-N 1 3 365.562 2.645 20 0 FFADHO O=c1[nH]c2ccc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)cc2[nH]1 ZINC000641715981 1027276674 /nfs/dbraw/zinc/27/66/74/1027276674.db2.gz TUCYQACOVPAQFM-SFHVURJKSA-N 1 3 350.466 2.923 20 0 FFADHO O=C([C@H]1CCC[C@@H](c2ccccc2)N1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290872 1027340980 /nfs/dbraw/zinc/34/09/80/1027340980.db2.gz IKHONMKBBHFVEF-VQTJNVASSA-N 1 3 353.510 2.814 20 0 FFADHO O=C([C@H]1CCC[C@@H](c2ccccc2)N1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290872 1027340999 /nfs/dbraw/zinc/34/09/99/1027340999.db2.gz IKHONMKBBHFVEF-VQTJNVASSA-N 1 3 353.510 2.814 20 0 FFADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290870 1027341502 /nfs/dbraw/zinc/34/15/02/1027341502.db2.gz IKHONMKBBHFVEF-PMACEKPBSA-N 1 3 353.510 2.814 20 0 FFADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290870 1027341522 /nfs/dbraw/zinc/34/15/22/1027341522.db2.gz IKHONMKBBHFVEF-PMACEKPBSA-N 1 3 353.510 2.814 20 0 FFADHO COc1ncc(F)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460116 1027398042 /nfs/dbraw/zinc/39/80/42/1027398042.db2.gz AHFVCNISMQBVEU-UHFFFAOYSA-N 1 3 369.444 2.534 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncc4cccnc4n3)c3ccccc23)CC1 ZINC001159460207 1027399380 /nfs/dbraw/zinc/39/93/80/1027399380.db2.gz FMIFWMDLQJWDDZ-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO CCOc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001159467628 1027399942 /nfs/dbraw/zinc/39/99/42/1027399942.db2.gz QPQGYSBPQOUYBG-UHFFFAOYSA-N 1 3 365.481 2.785 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ccc(Cl)c[n+]3[O-])c3ccccc23)CC1 ZINC001159467701 1027400924 /nfs/dbraw/zinc/40/09/24/1027400924.db2.gz RIOZXIMPYIMYCZ-UHFFFAOYSA-N 1 3 370.884 2.883 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2=CCN(CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC001160175145 1027622749 /nfs/dbraw/zinc/62/27/49/1027622749.db2.gz BQRUVUOBZDHIEJ-WIYYLYMNSA-N 1 3 371.525 2.544 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2=CCN(CCOc3ccccc3)CC2)CC[N@H+]1C ZINC001160175145 1027622757 /nfs/dbraw/zinc/62/27/57/1027622757.db2.gz BQRUVUOBZDHIEJ-WIYYLYMNSA-N 1 3 371.525 2.544 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001103550140 1027664967 /nfs/dbraw/zinc/66/49/67/1027664967.db2.gz ALJUFZORVJQZIO-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001103550140 1027664977 /nfs/dbraw/zinc/66/49/77/1027664977.db2.gz ALJUFZORVJQZIO-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160463516 1027716061 /nfs/dbraw/zinc/71/60/61/1027716061.db2.gz KOVGVYVJYMTTHM-OALUTQOASA-N 1 3 363.933 2.947 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1 ZINC001160956445 1027945983 /nfs/dbraw/zinc/94/59/83/1027945983.db2.gz NETWHIWBVVYPHB-JQVVWYNYSA-N 1 3 371.525 2.508 20 0 FFADHO C[C@H]1CN(C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C2(CC2)C1 ZINC001160962324 1027949578 /nfs/dbraw/zinc/94/95/78/1027949578.db2.gz DYTOWEIBOAJSLP-KKLQWCBXSA-N 1 3 367.537 2.889 20 0 FFADHO CCN1CCCN(C(=O)c2ccc(OCC[NH+](CC)CC)cc2)[C@@H](C)C1 ZINC001161004127 1027970641 /nfs/dbraw/zinc/97/06/41/1027970641.db2.gz VAKDZNKORYRFQQ-SFHVURJKSA-N 1 3 361.530 2.964 20 0 FFADHO CCN(C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001161332558 1028134296 /nfs/dbraw/zinc/13/42/96/1028134296.db2.gz OGHPRLFKURCBPB-LEWJYISDSA-N 1 3 351.494 2.824 20 0 FFADHO Cc1ccc(CN(C(=O)C[C@@H]2CCNC[C@H]2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161400655 1028159165 /nfs/dbraw/zinc/15/91/65/1028159165.db2.gz NMOWCAQBTVSAPV-LWYYNNOASA-N 1 3 361.505 2.931 20 0 FFADHO CN(C)CCN(C(=O)/C=C/c1c(F)ccc(F)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001161447192 1028179339 /nfs/dbraw/zinc/17/93/39/1028179339.db2.gz WEZVMUIQBHDIIL-OQHXTRMZSA-N 1 3 371.859 2.774 20 0 FFADHO CN(C)CCN(C(=O)c1ccc(-c2ccc(O)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001161449370 1028180113 /nfs/dbraw/zinc/18/01/13/1028180113.db2.gz MLXVEQWOIYPMCH-FQEVSTJZSA-N 1 3 367.493 2.815 20 0 FFADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161453376 1028184218 /nfs/dbraw/zinc/18/42/18/1028184218.db2.gz FNCHTYFKVXZHOJ-JKSUJKDBSA-N 1 3 367.415 2.568 20 0 FFADHO CN(Cc1ccc(NCC2(c3cccnc3)CC[NH2+]CC2)nc1)C1CC1 ZINC001162039208 1028409240 /nfs/dbraw/zinc/40/92/40/1028409240.db2.gz BWWYTYCLROYJTE-UHFFFAOYSA-N 1 3 351.498 2.804 20 0 FFADHO [NH3+]CC1CN([C@@H]2CCCN(c3nc(N4CCCC4)cc4ccccc43)C2)C1 ZINC001155384861 1028712970 /nfs/dbraw/zinc/71/29/70/1028712970.db2.gz WUQMLRAVCOANJZ-LJQANCHMSA-N 1 3 365.525 2.694 20 0 FFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NCc2nnn3c2CNCCC3)nc1 ZINC001155399535 1028721048 /nfs/dbraw/zinc/72/10/48/1028721048.db2.gz AAQVZDXBUWGANH-GOSISDBHSA-N 1 3 369.517 2.716 20 0 FFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(NCc2nnn3c2CNCCC3)nc1 ZINC001155399535 1028721057 /nfs/dbraw/zinc/72/10/57/1028721057.db2.gz AAQVZDXBUWGANH-GOSISDBHSA-N 1 3 369.517 2.716 20 0 FFADHO Cc1ccc2c(c1)[C@@H](Nc1nncc3c1OCCN3C)CC21CC[NH2+]CC1 ZINC001163032655 1028766936 /nfs/dbraw/zinc/76/69/36/1028766936.db2.gz XUQJBYYFGOZFGE-KRWDZBQOSA-N 1 3 365.481 2.792 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCc3cnc(Cl)s3)CC2)CC[N@@H+]1C ZINC001164578538 1029328912 /nfs/dbraw/zinc/32/89/12/1029328912.db2.gz GCWHVPVANJHRMI-TZMCWYRMSA-N 1 3 370.950 2.513 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCc3cnc(Cl)s3)CC2)CC[N@H+]1C ZINC001164578538 1029328922 /nfs/dbraw/zinc/32/89/22/1029328922.db2.gz GCWHVPVANJHRMI-TZMCWYRMSA-N 1 3 370.950 2.513 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111782517 1029437915 /nfs/dbraw/zinc/43/79/15/1029437915.db2.gz MGAIUIYLXHEJSD-UXLLHSPISA-N 1 3 361.452 2.784 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111782517 1029437921 /nfs/dbraw/zinc/43/79/21/1029437921.db2.gz MGAIUIYLXHEJSD-UXLLHSPISA-N 1 3 361.452 2.784 20 0 FFADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001157414229 1029579214 /nfs/dbraw/zinc/57/92/14/1029579214.db2.gz VSRVJMQHNFAZOO-FQEVSTJZSA-N 1 3 356.445 2.570 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)CC1 ZINC001157842499 1029674041 /nfs/dbraw/zinc/67/40/41/1029674041.db2.gz SNCYAIYZFPZPRQ-UHFFFAOYSA-N 1 3 369.488 2.747 20 0 FFADHO CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001111891474 1029685477 /nfs/dbraw/zinc/68/54/77/1029685477.db2.gz UBOZPEJYFCWINS-DYXWJJEUSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)OCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001111891474 1029685485 /nfs/dbraw/zinc/68/54/85/1029685485.db2.gz UBOZPEJYFCWINS-DYXWJJEUSA-N 1 3 365.562 2.647 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1scnc1C)C2 ZINC001111950825 1029789822 /nfs/dbraw/zinc/78/98/22/1029789822.db2.gz CDYGLOXFVNCUHE-LPHOPBHVSA-N 1 3 364.559 2.654 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1scnc1C)C2 ZINC001111950825 1029789828 /nfs/dbraw/zinc/78/98/28/1029789828.db2.gz CDYGLOXFVNCUHE-LPHOPBHVSA-N 1 3 364.559 2.654 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112153682 1030110807 /nfs/dbraw/zinc/11/08/07/1030110807.db2.gz SLIFZAPHVWJQRE-CAOSSQGBSA-N 1 3 361.452 2.662 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112153682 1030110818 /nfs/dbraw/zinc/11/08/18/1030110818.db2.gz SLIFZAPHVWJQRE-CAOSSQGBSA-N 1 3 361.452 2.662 20 0 FFADHO CCOCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000783491123 1030120415 /nfs/dbraw/zinc/12/04/15/1030120415.db2.gz NWJAKUGDTDPDHX-NQIIRXRSSA-N 1 3 361.530 2.517 20 0 FFADHO CCOCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000783491123 1030120422 /nfs/dbraw/zinc/12/04/22/1030120422.db2.gz NWJAKUGDTDPDHX-NQIIRXRSSA-N 1 3 361.530 2.517 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166315 1030131202 /nfs/dbraw/zinc/13/12/02/1030131202.db2.gz ODRSRKVFJKIWTF-POMZPUPMSA-N 1 3 361.452 2.806 20 0 FFADHO CN(CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001112166947 1030131336 /nfs/dbraw/zinc/13/13/36/1030131336.db2.gz AHZGCKRONCOMEV-HUUCEWRRSA-N 1 3 363.468 2.743 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841283600 1030156037 /nfs/dbraw/zinc/15/60/37/1030156037.db2.gz ZHGUDVHOJOTSNZ-UZLBHIALSA-N 1 3 368.481 2.666 20 0 FFADHO C[C@H](NC(=O)Nc1cccc(OCC[NH3+])c1)[C@@H](c1ccccc1)N(C)C ZINC000841283575 1030156240 /nfs/dbraw/zinc/15/62/40/1030156240.db2.gz YEWYDBJRKPWUAW-KXBFYZLASA-N 1 3 356.470 2.837 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001112179694 1030159872 /nfs/dbraw/zinc/15/98/72/1030159872.db2.gz DQSGUCASPRMWOR-IAGOWNOFSA-N 1 3 371.447 2.550 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC001142349627 1030336775 /nfs/dbraw/zinc/33/67/75/1030336775.db2.gz FBCQBQIIVVXQGT-YLJYHZDGSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](NC(=O)C2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC001142349627 1030336789 /nfs/dbraw/zinc/33/67/89/1030336789.db2.gz FBCQBQIIVVXQGT-YLJYHZDGSA-N 1 3 358.530 2.529 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)N(C)C)cc1 ZINC000841753851 1030446713 /nfs/dbraw/zinc/44/67/13/1030446713.db2.gz FVDQJJFYRUXKMS-HXUWFJFHSA-N 1 3 354.498 2.598 20 0 FFADHO CC(C)OCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001112353295 1030633965 /nfs/dbraw/zinc/63/39/65/1030633965.db2.gz AKDDVTUTZZSVAW-ZVDOUQERSA-N 1 3 365.562 2.503 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000796702989 1030888015 /nfs/dbraw/zinc/88/80/15/1030888015.db2.gz OMGHCLRPNPQISR-XWTMOSNGSA-N 1 3 369.550 2.626 20 0 FFADHO CCC(=O)N(C)C1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204271390 1031196507 /nfs/dbraw/zinc/19/65/07/1031196507.db2.gz LQSINTHTHROXQG-UHFFFAOYSA-N 1 3 361.530 2.850 20 0 FFADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cnn(C)c2)CC3)c1 ZINC001204995569 1031481411 /nfs/dbraw/zinc/48/14/11/1031481411.db2.gz XSTWVYDVDLATFT-UHFFFAOYSA-N 1 3 354.498 2.917 20 0 FFADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cnn(C)c2)CC3)c1 ZINC001204995569 1031481419 /nfs/dbraw/zinc/48/14/19/1031481419.db2.gz XSTWVYDVDLATFT-UHFFFAOYSA-N 1 3 354.498 2.917 20 0 FFADHO [NH3+]C[C@]1(O)CCCN(Cc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001205240103 1031618456 /nfs/dbraw/zinc/61/84/56/1031618456.db2.gz IGDBNTGAWBFCSJ-KRWDZBQOSA-N 1 3 368.403 2.567 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCC2CC2)C1 ZINC001205674391 1031925371 /nfs/dbraw/zinc/92/53/71/1031925371.db2.gz OXOIESMYAZSCFD-AZUAARDMSA-N 1 3 361.505 2.852 20 0 FFADHO NC[C@]1(O)CCCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205681111 1031931461 /nfs/dbraw/zinc/93/14/61/1031931461.db2.gz FJRCDJPXFILJGQ-MRXNPFEDSA-N 1 3 352.276 2.606 20 0 FFADHO NC[C@]1(O)CCCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205681111 1031931472 /nfs/dbraw/zinc/93/14/72/1031931472.db2.gz FJRCDJPXFILJGQ-MRXNPFEDSA-N 1 3 352.276 2.606 20 0 FFADHO [NH3+]C[C@]1(O)CCCCN(Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001205681111 1031931485 /nfs/dbraw/zinc/93/14/85/1031931485.db2.gz FJRCDJPXFILJGQ-MRXNPFEDSA-N 1 3 352.276 2.606 20 0 FFADHO O=C(Nc1cc([C@H]2CCCN2)no1)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001218712253 1033295374 /nfs/dbraw/zinc/29/53/74/1033295374.db2.gz OFYXDZPUABABLS-MRXNPFEDSA-N 1 3 372.444 2.789 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001219028314 1033474632 /nfs/dbraw/zinc/47/46/32/1033474632.db2.gz ZGBQYSNXUKRZKI-LPHOPBHVSA-N 1 3 351.450 2.643 20 0 FFADHO [NH3+][C@H](CC(=O)Nc1ccc2c(c1)CNCCO2)Cc1c[nH]c2ccccc12 ZINC001219028159 1033475392 /nfs/dbraw/zinc/47/53/92/1033475392.db2.gz ROCPQANQWGEVAD-INIZCTEOSA-N 1 3 364.449 2.549 20 0 FFADHO CC(C)OCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223613047 1033517115 /nfs/dbraw/zinc/51/71/15/1033517115.db2.gz CXNVUUJLKQGUGY-ZCNNSNEGSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223613047 1033517120 /nfs/dbraw/zinc/51/71/20/1033517120.db2.gz CXNVUUJLKQGUGY-ZCNNSNEGSA-N 1 3 365.562 2.599 20 0 FFADHO COc1cc2c(cc1NC(=O)[C@H]1C[NH2+]CC13CNC3)C(C)(C)CCC2(C)C ZINC001219133414 1033528598 /nfs/dbraw/zinc/52/85/98/1033528598.db2.gz SZMCQZWHIPARQU-MRXNPFEDSA-N 1 3 371.525 2.792 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)c(C)c1 ZINC001219233294 1033566123 /nfs/dbraw/zinc/56/61/23/1033566123.db2.gz LNABUKSKFAWNJC-RXVVDRJESA-N 1 3 366.509 2.739 20 0 FFADHO N[C@H](C(=O)Nc1ccc2c(c1)N(Cc1ccccc1)CC2)C1CC[NH2+]CC1 ZINC001219521047 1033675662 /nfs/dbraw/zinc/67/56/62/1033675662.db2.gz SVLLDFQYFYJPBU-NRFANRHFSA-N 1 3 364.493 2.515 20 0 FFADHO CC[C@@]1(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC001219668866 1033740465 /nfs/dbraw/zinc/74/04/65/1033740465.db2.gz CKILTYDYGSICDT-JOCHJYFZSA-N 1 3 357.542 2.837 20 0 FFADHO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)CNC2 ZINC001219669430 1033741152 /nfs/dbraw/zinc/74/11/52/1033741152.db2.gz XZYBLWXMRLYOOH-UHFFFAOYSA-N 1 3 363.505 2.974 20 0 FFADHO O=C(NCc1ccccc1N1CCCCCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219976143 1033918099 /nfs/dbraw/zinc/91/80/99/1033918099.db2.gz BRTMWBRYSNZDJN-LJQANCHMSA-N 1 3 370.541 2.557 20 0 FFADHO O=C(NCc1ccccc1N1CCCCCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219976143 1033918120 /nfs/dbraw/zinc/91/81/20/1033918120.db2.gz BRTMWBRYSNZDJN-LJQANCHMSA-N 1 3 370.541 2.557 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074039 1033972125 /nfs/dbraw/zinc/97/21/25/1033972125.db2.gz UUVDUZZCHHUQLR-XSXCZSQGSA-N 1 3 365.562 2.549 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074039 1033972127 /nfs/dbraw/zinc/97/21/27/1033972127.db2.gz UUVDUZZCHHUQLR-XSXCZSQGSA-N 1 3 365.562 2.549 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000831584612 1034136704 /nfs/dbraw/zinc/13/67/04/1034136704.db2.gz AUWXVJDQHGOWCN-HXUWFJFHSA-N 1 3 373.541 2.657 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000831584612 1034136708 /nfs/dbraw/zinc/13/67/08/1034136708.db2.gz AUWXVJDQHGOWCN-HXUWFJFHSA-N 1 3 373.541 2.657 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000831605862 1034154438 /nfs/dbraw/zinc/15/44/38/1034154438.db2.gz GDPWOCKYRWUESG-KDURUIRLSA-N 1 3 370.541 2.889 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000831605862 1034154443 /nfs/dbraw/zinc/15/44/43/1034154443.db2.gz GDPWOCKYRWUESG-KDURUIRLSA-N 1 3 370.541 2.889 20 0 FFADHO N[C@H](C(=O)NCc1c(Cl)ccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC001220816406 1034412765 /nfs/dbraw/zinc/41/27/65/1034412765.db2.gz LNJJZNHDSVDTFM-ZDUSSCGKSA-N 1 3 350.677 2.590 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@](C)(N)Cc2ccc(F)cc2)cc1 ZINC001220904910 1034451182 /nfs/dbraw/zinc/45/11/82/1034451182.db2.gz IEWQFEWHBRZNAM-NRFANRHFSA-N 1 3 357.473 2.636 20 0 FFADHO O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)c1ccc2c(c1)CNC2 ZINC001220980577 1034489316 /nfs/dbraw/zinc/48/93/16/1034489316.db2.gz JMDOZVRPXNYHFS-UHFFFAOYSA-N 1 3 367.468 2.771 20 0 FFADHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc2cccnc2s1 ZINC001277107583 1034569392 /nfs/dbraw/zinc/56/93/92/1034569392.db2.gz OIANSXYVPXQNBQ-FQEVSTJZSA-N 1 3 372.538 2.815 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001226275238 1034606141 /nfs/dbraw/zinc/60/61/41/1034606141.db2.gz KOPHDHXAPJJJAF-RTBURBONSA-N 1 3 367.578 2.941 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cc1 ZINC001138771180 1034638413 /nfs/dbraw/zinc/63/84/13/1034638413.db2.gz GZJZBTPHYJJFTG-VXKWHMMOSA-N 1 3 374.525 2.787 20 0 FFADHO COc1cccc(O[C@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC001138771838 1034640119 /nfs/dbraw/zinc/64/01/19/1034640119.db2.gz GXIQKOVSLLTFGR-IBGZPJMESA-N 1 3 371.481 2.684 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC001226564400 1034738541 /nfs/dbraw/zinc/73/85/41/1034738541.db2.gz LLIPESRGKMEAQD-GUDVDZBRSA-N 1 3 364.509 2.587 20 0 FFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226801424 1034847004 /nfs/dbraw/zinc/84/70/04/1034847004.db2.gz WYDAPFHRZYSDHC-VAMGGRTRSA-N 1 3 361.505 2.991 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc4cccccc3-4)C2)C1=O ZINC001277157987 1034855769 /nfs/dbraw/zinc/85/57/69/1034855769.db2.gz CDGBWUAKCKYKBZ-JOCHJYFZSA-N 1 3 351.494 2.777 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc4cccccc3-4)C2)C1=O ZINC001277157987 1034855778 /nfs/dbraw/zinc/85/57/78/1034855778.db2.gz CDGBWUAKCKYKBZ-JOCHJYFZSA-N 1 3 351.494 2.777 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226875984 1034870687 /nfs/dbraw/zinc/87/06/87/1034870687.db2.gz ABTQRCDVWQFHDK-QXAKKESOSA-N 1 3 362.518 2.683 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226875984 1034870695 /nfs/dbraw/zinc/87/06/95/1034870695.db2.gz ABTQRCDVWQFHDK-QXAKKESOSA-N 1 3 362.518 2.683 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)N(C)C)c(C)n1 ZINC001226931826 1034887754 /nfs/dbraw/zinc/88/77/54/1034887754.db2.gz BTBGLYXTIXDKPN-AQNXPRMDSA-N 1 3 360.546 2.802 20 0 FFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221710781 1035003335 /nfs/dbraw/zinc/00/33/35/1035003335.db2.gz IXRPRJAOEKRXNK-GUDVDZBRSA-N 1 3 351.510 2.533 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)[NH+](CC)CC ZINC001221812066 1035088047 /nfs/dbraw/zinc/08/80/47/1035088047.db2.gz XENBMZUHJPZBGQ-IXDOHACOSA-N 1 3 357.489 2.685 20 0 FFADHO CCOc1ccc(C)c(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001277703845 1035962201 /nfs/dbraw/zinc/96/22/01/1035962201.db2.gz IBOQFMIQCGJGKN-OAQYLSRUSA-N 1 3 359.514 2.522 20 0 FFADHO COc1ccc(Cl)c(CN[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001228376859 1036078508 /nfs/dbraw/zinc/07/85/08/1036078508.db2.gz FWJWNAGXIVAJIG-QZTJIDSGSA-N 1 3 367.921 2.817 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nsc1C)N(C)C ZINC001228646212 1036227852 /nfs/dbraw/zinc/22/78/52/1036227852.db2.gz AUYPPVZYYDUKPA-ZACQAIPSSA-N 1 3 352.548 2.617 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCO1)CC(C)(C)C ZINC001228647730 1036229397 /nfs/dbraw/zinc/22/93/97/1036229397.db2.gz XVTHXNUSVLASFZ-KZNAEPCWSA-N 1 3 353.551 2.550 20 0 FFADHO Cc1ncc(CO)c(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c1O ZINC001140870090 1036331337 /nfs/dbraw/zinc/33/13/37/1036331337.db2.gz FOBWVZKWAKIFHN-UHFFFAOYSA-N 1 3 367.493 2.686 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC001229860486 1036941392 /nfs/dbraw/zinc/94/13/92/1036941392.db2.gz UVLLUTNHDFLWAG-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001207262883 1037296558 /nfs/dbraw/zinc/29/65/58/1037296558.db2.gz LBAUUJHETQPRHF-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001207262883 1037296577 /nfs/dbraw/zinc/29/65/77/1037296577.db2.gz LBAUUJHETQPRHF-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCc1cccc(Cl)c1)CC2 ZINC001207422673 1037428176 /nfs/dbraw/zinc/42/81/76/1037428176.db2.gz VNMZDJVQLSIOHV-UHFFFAOYSA-N 1 3 373.928 2.707 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCc1cccc(Cl)c1)CC2 ZINC001207422673 1037428178 /nfs/dbraw/zinc/42/81/78/1037428178.db2.gz VNMZDJVQLSIOHV-UHFFFAOYSA-N 1 3 373.928 2.707 20 0 FFADHO Brc1cccc(CCC[N@@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)c1 ZINC001235367939 1037509092 /nfs/dbraw/zinc/50/90/92/1037509092.db2.gz LNJXEISSHSTAMA-KBAYOESNSA-N 1 3 365.315 2.835 20 0 FFADHO Brc1cccc(CCC[N@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)c1 ZINC001235367939 1037509099 /nfs/dbraw/zinc/50/90/99/1037509099.db2.gz LNJXEISSHSTAMA-KBAYOESNSA-N 1 3 365.315 2.835 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC001207541205 1037532317 /nfs/dbraw/zinc/53/23/17/1037532317.db2.gz YNCIQPMSUULIIN-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC001207541205 1037532324 /nfs/dbraw/zinc/53/23/24/1037532324.db2.gz YNCIQPMSUULIIN-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)C2)cc1 ZINC001235482465 1037579819 /nfs/dbraw/zinc/57/98/19/1037579819.db2.gz AZCGENIMTHVVCQ-SESVDKBCSA-N 1 3 370.541 2.838 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207616951 1037604597 /nfs/dbraw/zinc/60/45/97/1037604597.db2.gz KNUNCBSOHCSTSV-TYCQWZJGSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207616951 1037604609 /nfs/dbraw/zinc/60/46/09/1037604609.db2.gz KNUNCBSOHCSTSV-TYCQWZJGSA-N 1 3 371.525 2.528 20 0 FFADHO Fc1cccc(N2CCOC[C@@]3(CCCN(C[C@H]4CCC[NH2+]C4)C3)C2)c1 ZINC001235603312 1037638655 /nfs/dbraw/zinc/63/86/55/1037638655.db2.gz UQNNZSLUCFSJKH-GHTZIAJQSA-N 1 3 361.505 2.744 20 0 FFADHO CN1CCN(Cc2ccccc2N2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC001235672855 1037675549 /nfs/dbraw/zinc/67/55/49/1037675549.db2.gz IQOIRHSDXPHVSY-QFIPXVFZSA-N 1 3 350.510 2.585 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001207828451 1037762795 /nfs/dbraw/zinc/76/27/95/1037762795.db2.gz UFDOXXAGKXNSOD-LVQVYYBASA-N 1 3 373.488 2.618 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001207828451 1037762811 /nfs/dbraw/zinc/76/28/11/1037762811.db2.gz UFDOXXAGKXNSOD-LVQVYYBASA-N 1 3 373.488 2.618 20 0 FFADHO [NH3+]CCNC(=O)c1cccc(CN2CCC(Cc3ccccc3F)CC2)c1 ZINC001235868343 1037805093 /nfs/dbraw/zinc/80/50/93/1037805093.db2.gz XTPMIFSNFVNJMU-UHFFFAOYSA-N 1 3 369.484 2.969 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3ccc(Cl)c(Cl)c3)C[C@H]1C2 ZINC001236021310 1037890882 /nfs/dbraw/zinc/89/08/82/1037890882.db2.gz FSBUFQGBXOSARW-NPSOMJIGSA-N 1 3 369.292 2.824 20 0 FFADHO COCCOc1cccc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)c1 ZINC001208109553 1038040366 /nfs/dbraw/zinc/04/03/66/1038040366.db2.gz OOWYEKRHGBDBCJ-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO O=C1N(Cc2cccnc2)CC[C@@]12CC[N@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001232014163 1038110136 /nfs/dbraw/zinc/11/01/36/1038110136.db2.gz YZOCKCJWOXWNOV-OAQYLSRUSA-N 1 3 361.449 2.583 20 0 FFADHO O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001232014163 1038110147 /nfs/dbraw/zinc/11/01/47/1038110147.db2.gz YZOCKCJWOXWNOV-OAQYLSRUSA-N 1 3 361.449 2.583 20 0 FFADHO CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NCc3ccc4ncsc4c3)(C1)CCC2 ZINC001278902061 1038286820 /nfs/dbraw/zinc/28/68/20/1038286820.db2.gz QFHMEKUKHBRSPX-UXHICEINSA-N 1 3 372.538 2.909 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425772 1038308634 /nfs/dbraw/zinc/30/86/34/1038308634.db2.gz XHUIVVYXZAKCHX-OXQOHEQNSA-N 1 3 366.509 2.513 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)C1 ZINC001208607427 1038442310 /nfs/dbraw/zinc/44/23/10/1038442310.db2.gz KBMKGGAKBICSIR-PCCBWWKXSA-N 1 3 359.514 2.564 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)C1 ZINC001208607427 1038442313 /nfs/dbraw/zinc/44/23/13/1038442313.db2.gz KBMKGGAKBICSIR-PCCBWWKXSA-N 1 3 359.514 2.564 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)C1 ZINC001208611059 1038445637 /nfs/dbraw/zinc/44/56/37/1038445637.db2.gz UCWDWUFIOPFMII-HLAWJBBLSA-N 1 3 359.514 2.564 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)C1 ZINC001208611059 1038445641 /nfs/dbraw/zinc/44/56/41/1038445641.db2.gz UCWDWUFIOPFMII-HLAWJBBLSA-N 1 3 359.514 2.564 20 0 FFADHO CN1CCC[C@@H](C[NH+]2CCN(c3cccc(Br)c3)CC2)C1 ZINC001208612241 1038448196 /nfs/dbraw/zinc/44/81/96/1038448196.db2.gz LGAMSWVMDVMPJM-OAHLLOKOSA-N 1 3 352.320 2.913 20 0 FFADHO c1ccc(CN2CCC(N(c3ncccn3)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001256611366 1038579430 /nfs/dbraw/zinc/57/94/30/1038579430.db2.gz QMSQGGNUPFVGTR-HXUWFJFHSA-N 1 3 351.498 2.700 20 0 FFADHO CC[C@@H](CC[NH2+]C1CCC(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001256683986 1038601592 /nfs/dbraw/zinc/60/15/92/1038601592.db2.gz KDWXATYVQGPVLB-AOCRQIFASA-N 1 3 369.550 2.913 20 0 FFADHO O=C1CCCCN1c1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256687567 1038602387 /nfs/dbraw/zinc/60/23/87/1038602387.db2.gz YSTWKEFIOPIWLC-UHFFFAOYSA-N 1 3 371.525 2.937 20 0 FFADHO COC(C[N@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1)OC ZINC001256688741 1038603457 /nfs/dbraw/zinc/60/34/57/1038603457.db2.gz JSTYYHYCLGDNCN-UHFFFAOYSA-N 1 3 362.514 2.751 20 0 FFADHO COC(C[N@@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1)OC ZINC001256688741 1038603461 /nfs/dbraw/zinc/60/34/61/1038603461.db2.gz JSTYYHYCLGDNCN-UHFFFAOYSA-N 1 3 362.514 2.751 20 0 FFADHO Cc1ccnc(O[C@H]2CC[N@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)n1 ZINC001208962061 1038607603 /nfs/dbraw/zinc/60/76/03/1038607603.db2.gz HECUETXLGUWMOB-PMACEKPBSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1ccnc(O[C@H]2CC[N@@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)n1 ZINC001208962061 1038607605 /nfs/dbraw/zinc/60/76/05/1038607605.db2.gz HECUETXLGUWMOB-PMACEKPBSA-N 1 3 352.482 2.760 20 0 FFADHO Fc1cnc(O[C@@H]2CC[N@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965287 1038610431 /nfs/dbraw/zinc/61/04/31/1038610431.db2.gz YEMWXNKSJONKKM-IEBWSBKVSA-N 1 3 356.445 2.591 20 0 FFADHO Fc1cnc(O[C@@H]2CC[N@@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965287 1038610436 /nfs/dbraw/zinc/61/04/36/1038610436.db2.gz YEMWXNKSJONKKM-IEBWSBKVSA-N 1 3 356.445 2.591 20 0 FFADHO Cc1cnc(O[C@H]2CC[N@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965325 1038610809 /nfs/dbraw/zinc/61/08/09/1038610809.db2.gz YQVKDJISBQAMIA-UXHICEINSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cnc(O[C@H]2CC[N@@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965325 1038610817 /nfs/dbraw/zinc/61/08/17/1038610817.db2.gz YQVKDJISBQAMIA-UXHICEINSA-N 1 3 352.482 2.760 20 0 FFADHO COC(=O)CC1CCC([NH2+]Cc2ccccc2CN2CCN(C)CC2)CC1 ZINC001256974892 1038667376 /nfs/dbraw/zinc/66/73/76/1038667376.db2.gz IYMCHNUFCFAGHZ-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO Cc1cc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c(F)cc1Cl ZINC001276621933 1038699424 /nfs/dbraw/zinc/69/94/24/1038699424.db2.gz VFCMXBUAKKXIAO-LJQANCHMSA-N 1 3 367.896 2.774 20 0 FFADHO CC[C@H]1C[C@H](N2CCC([NH3+])(CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001257122726 1038716790 /nfs/dbraw/zinc/71/67/90/1038716790.db2.gz WCUXOJHUWNFAJM-DLBZAZTESA-N 1 3 369.550 2.994 20 0 FFADHO O[C@H](C[NH2+]C1CCN(CCc2c[nH]c3ccccc23)CC1)C(F)(F)F ZINC001250995144 1038884153 /nfs/dbraw/zinc/88/41/53/1038884153.db2.gz ONKOHICDMSLLGR-QGZVFWFLSA-N 1 3 355.404 2.688 20 0 FFADHO c1cc(CN2CCOCC3(CC[NH+]([C@H]4CCCSC4)CC3)C2)ccn1 ZINC001257673944 1038922720 /nfs/dbraw/zinc/92/27/20/1038922720.db2.gz AKRMBVGXQYAKED-IBGZPJMESA-N 1 3 361.555 2.892 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC1 ZINC001258017707 1039115713 /nfs/dbraw/zinc/11/57/13/1039115713.db2.gz FDNMNAVUGRLAET-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@H](O)COCc1c(Cl)cccc1Cl ZINC001245980369 1039174452 /nfs/dbraw/zinc/17/44/52/1039174452.db2.gz CVFOUJWRMLQKLN-MCIONIFRSA-N 1 3 361.313 2.706 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCc1cccc(Cl)c1 ZINC001245978505 1039174740 /nfs/dbraw/zinc/17/47/40/1039174740.db2.gz MUJCIGHGLXOWDK-ZWKOTPCHSA-N 1 3 354.828 2.681 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]CC2(N)CCCCC2)cc1 ZINC001245991734 1039178494 /nfs/dbraw/zinc/17/84/94/1039178494.db2.gz GXNQSCQKNPMVIC-GOSISDBHSA-N 1 3 362.514 2.753 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001245992206 1039178880 /nfs/dbraw/zinc/17/88/80/1039178880.db2.gz FXRWHAIRJZWPAR-YDZRNGNQSA-N 1 3 366.839 2.995 20 0 FFADHO O[C@@H](COCC(F)(F)C(F)F)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001251575959 1039185932 /nfs/dbraw/zinc/18/59/32/1039185932.db2.gz VBWAPUYZAYBPLQ-HUUCEWRRSA-N 1 3 370.431 2.605 20 0 FFADHO O[C@@H](COCC(F)(F)C(F)F)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001251575959 1039185940 /nfs/dbraw/zinc/18/59/40/1039185940.db2.gz VBWAPUYZAYBPLQ-HUUCEWRRSA-N 1 3 370.431 2.605 20 0 FFADHO CCN(C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001246014438 1039190799 /nfs/dbraw/zinc/19/07/99/1039190799.db2.gz OFTVPVKJXCOFSG-BULFRSBZSA-N 1 3 356.510 2.879 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001246021622 1039197742 /nfs/dbraw/zinc/19/77/42/1039197742.db2.gz UBYLPEJKIYEANI-INDMIFKZSA-N 1 3 366.839 2.995 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001246021622 1039197751 /nfs/dbraw/zinc/19/77/51/1039197751.db2.gz UBYLPEJKIYEANI-INDMIFKZSA-N 1 3 366.839 2.995 20 0 FFADHO C[C@@H]1CC[C@H](C[NH3+])CN1C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001246028231 1039202748 /nfs/dbraw/zinc/20/27/48/1039202748.db2.gz AYBLULFXRHVCJA-GPMSIDNRSA-N 1 3 362.514 2.561 20 0 FFADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246299797 1039301500 /nfs/dbraw/zinc/30/15/00/1039301500.db2.gz KUIRVZOIUOKBHL-JJXSEGSLSA-N 1 3 370.534 2.782 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1)C2 ZINC001246496476 1039372731 /nfs/dbraw/zinc/37/27/31/1039372731.db2.gz PZROLGSQTCRJKT-MXEMCNAFSA-N 1 3 373.541 2.832 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1[C@@H]1CCc3c(cccc3OC)C1)CC[NH2+]CC2 ZINC001246599344 1039410154 /nfs/dbraw/zinc/41/01/54/1039410154.db2.gz CLAHXZRFHVJYKK-MJGOQNOKSA-N 1 3 372.509 2.560 20 0 FFADHO Clc1ccc(N2CCC(N3CC[NH2+]C[C@@]4(CCCCN4)C3)CC2)cc1 ZINC001246637038 1039424363 /nfs/dbraw/zinc/42/43/63/1039424363.db2.gz XAFVWGOZEHHWPZ-FQEVSTJZSA-N 1 3 362.949 2.726 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)[C@H]2CC[C@@H](C)[NH2+]C2)c2c1CNCC2 ZINC001246705225 1039443378 /nfs/dbraw/zinc/44/33/78/1039443378.db2.gz OIVVOGFUGOPMLB-CABCVRRESA-N 1 3 374.558 2.713 20 0 FFADHO C[C@H]1C[C@H](N2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756732 1039467479 /nfs/dbraw/zinc/46/74/79/1039467479.db2.gz NUNOOBCTXYADHM-IOMROCGXSA-N 1 3 361.505 2.885 20 0 FFADHO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCN[C@@H](C)C3)O2)cs1 ZINC001246762689 1039469624 /nfs/dbraw/zinc/46/96/24/1039469624.db2.gz XOLZJDCDLSRGNL-HMIGGYHTSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CCN[C@@H](C)C3)O2)cs1 ZINC001246762689 1039469631 /nfs/dbraw/zinc/46/96/31/1039469631.db2.gz XOLZJDCDLSRGNL-HMIGGYHTSA-N 1 3 365.543 2.731 20 0 FFADHO O=c1cccc(CN2CC[C@H]3C[N@@H+](CCC4CCOCC4)C[C@H]3CC2)[nH]1 ZINC001278468615 1039502829 /nfs/dbraw/zinc/50/28/29/1039502829.db2.gz JKPOGSGYFBHLQW-KDURUIRLSA-N 1 3 359.514 2.748 20 0 FFADHO O=c1cccc(CN2CC[C@H]3C[N@H+](CCC4CCOCC4)C[C@H]3CC2)[nH]1 ZINC001278468615 1039502838 /nfs/dbraw/zinc/50/28/38/1039502838.db2.gz JKPOGSGYFBHLQW-KDURUIRLSA-N 1 3 359.514 2.748 20 0 FFADHO CCC[NH+]1CCC(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)C(C)C)O3)CC1 ZINC001258774212 1039510071 /nfs/dbraw/zinc/51/00/71/1039510071.db2.gz XMGJBWCKHDNWOC-TZIWHRDSSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001258806858 1039522164 /nfs/dbraw/zinc/52/21/64/1039522164.db2.gz CETYSUGQGGEENE-YZGWKJHDSA-N 1 3 357.542 2.970 20 0 FFADHO c1ccc(CN2CCN(c3ccc4[nH]c(CC5C[NH2+]C5)nc4c3)CC2)cc1 ZINC001247009899 1039578527 /nfs/dbraw/zinc/57/85/27/1039578527.db2.gz DHMBLXXBIYYNHD-UHFFFAOYSA-N 1 3 361.493 2.647 20 0 FFADHO c1ccc(CN2CCN(c3ccc4[nH]c([C@H]5CC[NH2+]C5)nc4c3)CC2)cc1 ZINC001247010537 1039578961 /nfs/dbraw/zinc/57/89/61/1039578961.db2.gz JYHCMSLJMYEIOW-SFHVURJKSA-N 1 3 361.493 2.962 20 0 FFADHO CCOc1ccncc1CN1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001278675793 1039631257 /nfs/dbraw/zinc/63/12/57/1039631257.db2.gz LGZMVZKFAWIDDY-OAQYLSRUSA-N 1 3 360.546 2.720 20 0 FFADHO CCCCCCN1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252927059 1039798280 /nfs/dbraw/zinc/79/82/80/1039798280.db2.gz DWIAIODKHBMCPK-JOCHJYFZSA-N 1 3 359.558 2.821 20 0 FFADHO CCCCCCN1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252927059 1039798299 /nfs/dbraw/zinc/79/82/99/1039798299.db2.gz DWIAIODKHBMCPK-JOCHJYFZSA-N 1 3 359.558 2.821 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001253193690 1040033701 /nfs/dbraw/zinc/03/37/01/1040033701.db2.gz HOGUUPCETCVIBJ-UFYCRDLUSA-N 1 3 362.514 2.500 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001253193690 1040033721 /nfs/dbraw/zinc/03/37/21/1040033721.db2.gz HOGUUPCETCVIBJ-UFYCRDLUSA-N 1 3 362.514 2.500 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)N1CCc2ccccc2C1 ZINC001211269231 1040053334 /nfs/dbraw/zinc/05/33/34/1040053334.db2.gz OUUUXLCFUMUZBH-NJYVYQBISA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)N1CCc2ccccc2C1 ZINC001211269231 1040053350 /nfs/dbraw/zinc/05/33/50/1040053350.db2.gz OUUUXLCFUMUZBH-NJYVYQBISA-N 1 3 370.541 2.559 20 0 FFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405999 1040157543 /nfs/dbraw/zinc/15/75/43/1040157543.db2.gz WJGRSVGRQJYXPS-ULQDDVLXSA-N 1 3 371.566 2.608 20 0 FFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405999 1040157549 /nfs/dbraw/zinc/15/75/49/1040157549.db2.gz WJGRSVGRQJYXPS-ULQDDVLXSA-N 1 3 371.566 2.608 20 0 FFADHO c1cnn(-c2ccc(C[NH+]3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)cc2)n1 ZINC001248770854 1040412452 /nfs/dbraw/zinc/41/24/52/1040412452.db2.gz JRNDDPOKDKEZLW-NHCUHLMSSA-N 1 3 359.477 2.831 20 0 FFADHO OC1(C[N@@H+]2CC[C@@H](c3cccnc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254039113 1040541754 /nfs/dbraw/zinc/54/17/54/1040541754.db2.gz ZIGRLRFIFPAGET-OAQYLSRUSA-N 1 3 351.494 2.898 20 0 FFADHO OC1(C[N@H+]2CC[C@@H](c3cccnc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254039113 1040541771 /nfs/dbraw/zinc/54/17/71/1040541771.db2.gz ZIGRLRFIFPAGET-OAQYLSRUSA-N 1 3 351.494 2.898 20 0 FFADHO OC1(CNCc2cncn2CC2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254052414 1040554730 /nfs/dbraw/zinc/55/47/30/1040554730.db2.gz HQUJHURKEWSDJB-UHFFFAOYSA-N 1 3 368.525 2.800 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230472 1040625910 /nfs/dbraw/zinc/62/59/10/1040625910.db2.gz CRBTZNWVEFQIPG-HOTGVXAUSA-N 1 3 353.507 2.767 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230472 1040625919 /nfs/dbraw/zinc/62/59/19/1040625919.db2.gz CRBTZNWVEFQIPG-HOTGVXAUSA-N 1 3 353.507 2.767 20 0 FFADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230472 1040625930 /nfs/dbraw/zinc/62/59/30/1040625930.db2.gz CRBTZNWVEFQIPG-HOTGVXAUSA-N 1 3 353.507 2.767 20 0 FFADHO c1ccc([C@@H]2C[NH2+]C[C@@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C2)cc1 ZINC001249223738 1040637993 /nfs/dbraw/zinc/63/79/93/1040637993.db2.gz HNCMWPHGBZCQRE-IRXDYDNUSA-N 1 3 361.449 2.638 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001254517206 1040763821 /nfs/dbraw/zinc/76/38/21/1040763821.db2.gz FZBZDDSIGRKOJM-CTNGQTDRSA-N 1 3 356.514 2.523 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001254517206 1040763848 /nfs/dbraw/zinc/76/38/48/1040763848.db2.gz FZBZDDSIGRKOJM-CTNGQTDRSA-N 1 3 356.514 2.523 20 0 FFADHO C[NH+](C)CCn1c(=O)ccc2c1CCN(Cc1cc(C(C)(C)C)c[nH]1)CC2 ZINC001249477403 1040796547 /nfs/dbraw/zinc/79/65/47/1040796547.db2.gz CMWPLPUEGQNNBF-UHFFFAOYSA-N 1 3 370.541 2.636 20 0 FFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccccn2)cc1 ZINC001278518274 1040875153 /nfs/dbraw/zinc/87/51/53/1040875153.db2.gz ZRUWXIJVVHDDSN-OYRHEFFESA-N 1 3 350.510 2.959 20 0 FFADHO CCN(C)C1CC[NH+]([C@@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254832408 1040992967 /nfs/dbraw/zinc/99/29/67/1040992967.db2.gz XUQQHMWKSLAEHF-QGZVFWFLSA-N 1 3 367.534 2.571 20 0 FFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C3C[C@H]4CC(=O)C[C@@H]4C3)CC[C@@H]21 ZINC001254950826 1041063531 /nfs/dbraw/zinc/06/35/31/1041063531.db2.gz XYLUFCSBAJGFPO-DCIOMXRHSA-N 1 3 370.541 2.814 20 0 FFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C3C[C@H]4CC(=O)C[C@@H]4C3)CC[C@@H]21 ZINC001254950826 1041063544 /nfs/dbraw/zinc/06/35/44/1041063544.db2.gz XYLUFCSBAJGFPO-DCIOMXRHSA-N 1 3 370.541 2.814 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255054277 1041121108 /nfs/dbraw/zinc/12/11/08/1041121108.db2.gz XIAZZHXDVBFMIZ-CUHOHZIGSA-N 1 3 367.534 2.616 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N2CCN(C4CCOCC4)CC2)C3)cc1 ZINC001255142669 1041166999 /nfs/dbraw/zinc/16/69/99/1041166999.db2.gz FNRSLFCKMLLNTJ-NUNAXRQHSA-N 1 3 369.553 2.979 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2CCN(C4CCOCC4)CC2)C3)cc1 ZINC001255142669 1041167003 /nfs/dbraw/zinc/16/70/03/1041167003.db2.gz FNRSLFCKMLLNTJ-NUNAXRQHSA-N 1 3 369.553 2.979 20 0 FFADHO COC(=O)N1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255137571 1041168628 /nfs/dbraw/zinc/16/86/28/1041168628.db2.gz UIEKOIXJPYJLKY-ACDBMABISA-N 1 3 357.498 2.956 20 0 FFADHO COC(=O)N1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255137571 1041168630 /nfs/dbraw/zinc/16/86/30/1041168630.db2.gz UIEKOIXJPYJLKY-ACDBMABISA-N 1 3 357.498 2.956 20 0 FFADHO C[NH2+][C@@H](C)CCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001261376586 1041198908 /nfs/dbraw/zinc/19/89/08/1041198908.db2.gz SPEGADLVWVEFOW-AWEZNQCLSA-N 1 3 374.451 2.777 20 0 FFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCN(c3cc[nH+]cc3C)CC1)C2 ZINC001255212434 1041203672 /nfs/dbraw/zinc/20/36/72/1041203672.db2.gz JOWIPMDGFRZFPH-PIIMJCKOSA-N 1 3 358.486 2.664 20 0 FFADHO Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c(C)c1 ZINC001278583624 1041258886 /nfs/dbraw/zinc/25/88/86/1041258886.db2.gz UZLDBIFBPNTNDU-BGYRXZFFSA-N 1 3 357.542 2.844 20 0 FFADHO Cc1cc(C)c(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c(C)c1 ZINC001278583624 1041258902 /nfs/dbraw/zinc/25/89/02/1041258902.db2.gz UZLDBIFBPNTNDU-BGYRXZFFSA-N 1 3 357.542 2.844 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3cc(F)cc(Cl)c3)C[C@H]2CC1 ZINC001278589579 1041276538 /nfs/dbraw/zinc/27/65/38/1041276538.db2.gz MFFQDVVBUDOGCG-IYBDPMFKSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3cc(F)cc(Cl)c3)C[C@H]2CC1 ZINC001278589579 1041276554 /nfs/dbraw/zinc/27/65/54/1041276554.db2.gz MFFQDVVBUDOGCG-IYBDPMFKSA-N 1 3 367.896 2.711 20 0 FFADHO c1ccc(CN2CCC[C@@H]([N@@H+]3CC[C@@H](Oc4cnccn4)C3)CC2)cc1 ZINC001255410531 1041329714 /nfs/dbraw/zinc/32/97/14/1041329714.db2.gz YNYVNIGSPQROOZ-WOJBJXKFSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@@H]([N@H+]3CC[C@@H](Oc4cnccn4)C3)CC2)cc1 ZINC001255410531 1041329725 /nfs/dbraw/zinc/32/97/25/1041329725.db2.gz YNYVNIGSPQROOZ-WOJBJXKFSA-N 1 3 352.482 2.984 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(C)CCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC001278607064 1041402268 /nfs/dbraw/zinc/40/22/68/1041402268.db2.gz CFUJLEQUQJDQNP-VQIMIIECSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(C)CCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC001278607064 1041402274 /nfs/dbraw/zinc/40/22/74/1041402274.db2.gz CFUJLEQUQJDQNP-VQIMIIECSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC001262094336 1041552581 /nfs/dbraw/zinc/55/25/81/1041552581.db2.gz GAAFFJUVKDHMDU-BEFAXECRSA-N 1 3 370.497 2.854 20 0 FFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001214847747 1041592183 /nfs/dbraw/zinc/59/21/83/1041592183.db2.gz QDBPVMJASNZMHR-UYAOXDASSA-N 1 3 357.542 2.848 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001214997993 1041638885 /nfs/dbraw/zinc/63/88/85/1041638885.db2.gz PMVXXJSBJLGNKW-OWCLPIDISA-N 1 3 359.505 2.979 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC=C(Cl)Cl ZINC001215223834 1041705194 /nfs/dbraw/zinc/70/51/94/1041705194.db2.gz BFISHPKAWJQIST-XNRPHZJLSA-N 1 3 360.329 2.616 20 0 FFADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCc1cccnc1 ZINC001215228634 1041707555 /nfs/dbraw/zinc/70/75/55/1041707555.db2.gz YKGWEZSMWSVJPM-YLJYHZDGSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCc1cccnc1 ZINC001215228634 1041707559 /nfs/dbraw/zinc/70/75/59/1041707559.db2.gz YKGWEZSMWSVJPM-YLJYHZDGSA-N 1 3 358.530 2.673 20 0 FFADHO COc1ccc(C(C)C)cc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463208 1041792449 /nfs/dbraw/zinc/79/24/49/1041792449.db2.gz MDEGLPUXWTXIBU-VQIMIIECSA-N 1 3 361.530 2.707 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001216001950 1041928501 /nfs/dbraw/zinc/92/85/01/1041928501.db2.gz LTPZUURXOQZPHY-CRAIPNDOSA-N 1 3 351.922 2.661 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC001216498997 1042042227 /nfs/dbraw/zinc/04/22/27/1042042227.db2.gz CKWLYJHTBRUJPN-VQIMIIECSA-N 1 3 354.498 2.513 20 0 FFADHO CC(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001263396191 1042279934 /nfs/dbraw/zinc/27/99/34/1042279934.db2.gz VFIFTAYZBNFEGN-SFHVURJKSA-N 1 3 362.566 2.521 20 0 FFADHO CC(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001263396191 1042279937 /nfs/dbraw/zinc/27/99/37/1042279937.db2.gz VFIFTAYZBNFEGN-SFHVURJKSA-N 1 3 362.566 2.521 20 0 FFADHO C[C@@H]1CCN(C(=O)c2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000382752636 1042441958 /nfs/dbraw/zinc/44/19/58/1042441958.db2.gz CZBQUJLOSIUFIR-GOSISDBHSA-N 1 3 351.494 2.924 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC001263927390 1042537956 /nfs/dbraw/zinc/53/79/56/1042537956.db2.gz FOOCKZMKEOVEBL-VQTJNVASSA-N 1 3 368.525 2.940 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@@H+]1CCOC(C)C ZINC001264627451 1042758866 /nfs/dbraw/zinc/75/88/66/1042758866.db2.gz NUNQYPITKBXZBD-XUVXKRRUSA-N 1 3 367.578 2.891 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@H+]1CCOC(C)C ZINC001264627451 1042758868 /nfs/dbraw/zinc/75/88/68/1042758868.db2.gz NUNQYPITKBXZBD-XUVXKRRUSA-N 1 3 367.578 2.891 20 0 FFADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C)N(CC)CC ZINC001264719162 1042800401 /nfs/dbraw/zinc/80/04/01/1042800401.db2.gz OVJMJOHFYIQGKA-BPQIPLTHSA-N 1 3 351.560 2.990 20 0 FFADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H]1C)N(CC)CC ZINC001264719162 1042800403 /nfs/dbraw/zinc/80/04/03/1042800403.db2.gz OVJMJOHFYIQGKA-BPQIPLTHSA-N 1 3 351.560 2.990 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3cc4cccnc4[nH]3)C2)C1 ZINC001279137690 1042914550 /nfs/dbraw/zinc/91/45/50/1042914550.db2.gz NUILLTYUFXRZRZ-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cc4cccnc4[nH]3)C2)C1 ZINC001279137690 1042914551 /nfs/dbraw/zinc/91/45/51/1042914551.db2.gz NUILLTYUFXRZRZ-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO COc1cc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)ccc1O ZINC001279185163 1042936805 /nfs/dbraw/zinc/93/68/05/1042936805.db2.gz HXRYLLBGUBNROD-NRFANRHFSA-N 1 3 361.530 2.640 20 0 FFADHO COc1cc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)ccc1O ZINC001279185163 1042936807 /nfs/dbraw/zinc/93/68/07/1042936807.db2.gz HXRYLLBGUBNROD-NRFANRHFSA-N 1 3 361.530 2.640 20 0 FFADHO CCOc1cc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)ccc1O ZINC001279186865 1042938188 /nfs/dbraw/zinc/93/81/88/1042938188.db2.gz RRSJLTCCHIZDDY-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO CCOc1cc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)ccc1O ZINC001279186865 1042938190 /nfs/dbraw/zinc/93/81/90/1042938190.db2.gz RRSJLTCCHIZDDY-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccc(-c4cccs4)cc3)C[C@H]21 ZINC001279256830 1042969998 /nfs/dbraw/zinc/96/99/98/1042969998.db2.gz KGLGDBQZKVKYAI-UXHICEINSA-N 1 3 371.550 2.862 20 0 FFADHO C[C@@H]1C[C@@H]1CN1CC2(CCN2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001279268413 1042975257 /nfs/dbraw/zinc/97/52/57/1042975257.db2.gz BHYFOYMKXSGBLO-UYAOXDASSA-N 1 3 357.542 2.933 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001279290183 1042985293 /nfs/dbraw/zinc/98/52/93/1042985293.db2.gz IQCXVPDPIHESOH-UHFFFAOYSA-N 1 3 361.921 2.676 20 0 FFADHO Cc1cnccc1C[N@@H+]1CCC[C@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001279381826 1043039735 /nfs/dbraw/zinc/03/97/35/1043039735.db2.gz KAYCOXWVMMHVLV-NRFANRHFSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cnccc1C[N@H+]1CCC[C@]2(CCCN(CCn3ccnc3)C2)C1 ZINC001279381826 1043039738 /nfs/dbraw/zinc/03/97/38/1043039738.db2.gz KAYCOXWVMMHVLV-NRFANRHFSA-N 1 3 353.514 2.965 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3F)C[C@H]2CC1 ZINC001279399155 1043055334 /nfs/dbraw/zinc/05/53/34/1043055334.db2.gz DOULFLIOFJEAJX-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3F)C[C@H]2CC1 ZINC001279399155 1043055347 /nfs/dbraw/zinc/05/53/47/1043055347.db2.gz DOULFLIOFJEAJX-GASCZTMLSA-N 1 3 367.896 2.711 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cccc(OC(F)(F)F)c2)CCC12C[NH2+]C2 ZINC001237429747 1043155203 /nfs/dbraw/zinc/15/52/03/1043155203.db2.gz JEYAZPLBYZAWFN-OAHLLOKOSA-N 1 3 372.387 2.560 20 0 FFADHO Fc1cccc(F)c1CCN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279479817 1043164860 /nfs/dbraw/zinc/16/48/60/1043164860.db2.gz YURZRFFHXRUBND-UHFFFAOYSA-N 1 3 360.452 2.802 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cc(Cl)cs3)C[C@H]2CC1 ZINC001279578064 1043284558 /nfs/dbraw/zinc/28/45/58/1043284558.db2.gz VGOWXRRRWKPZFX-OKILXGFUSA-N 1 3 355.935 2.634 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@H]2CC1 ZINC001279578064 1043284568 /nfs/dbraw/zinc/28/45/68/1043284568.db2.gz VGOWXRRRWKPZFX-OKILXGFUSA-N 1 3 355.935 2.634 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001279590973 1043305151 /nfs/dbraw/zinc/30/51/51/1043305151.db2.gz IYCAGWOUIBKEDU-NRFANRHFSA-N 1 3 360.546 2.663 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001279590973 1043305160 /nfs/dbraw/zinc/30/51/60/1043305160.db2.gz IYCAGWOUIBKEDU-NRFANRHFSA-N 1 3 360.546 2.663 20 0 FFADHO CCn1ccnc1CN1CCC2(C1)CC[NH+](CC(C)(C)CN(C)C)CC2 ZINC001279591793 1043306937 /nfs/dbraw/zinc/30/69/37/1043306937.db2.gz RCHAKEFGKXMQIA-UHFFFAOYSA-N 1 3 361.578 2.779 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC[NH+](C)CC1 ZINC001279639237 1043382030 /nfs/dbraw/zinc/38/20/30/1043382030.db2.gz YNRHDTUYIFKJBW-QHAWAJNXSA-N 1 3 357.542 2.916 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cccc3ccoc31)CC2 ZINC001279658029 1043415143 /nfs/dbraw/zinc/41/51/43/1043415143.db2.gz UAVPAWTWINFRDX-UHFFFAOYSA-N 1 3 355.482 2.809 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)N1CCc2ccccc2C1 ZINC001311396188 1043906442 /nfs/dbraw/zinc/90/64/42/1043906442.db2.gz LGWLPKVXOJCZLB-PMACEKPBSA-N 1 3 372.557 2.995 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)N1CCc2ccccc2C1 ZINC001311396188 1043906472 /nfs/dbraw/zinc/90/64/72/1043906472.db2.gz LGWLPKVXOJCZLB-PMACEKPBSA-N 1 3 372.557 2.995 20 0 FFADHO Cc1ccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c(Cl)c1 ZINC001239364311 1044104529 /nfs/dbraw/zinc/10/45/29/1044104529.db2.gz VWJKMYBYKFURKC-CYBMUJFWSA-N 1 3 352.935 2.809 20 0 FFADHO Cc1cc(Cl)ccc1NC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364136 1044104638 /nfs/dbraw/zinc/10/46/38/1044104638.db2.gz VTIFPUBSYINFRP-CQSZACIVSA-N 1 3 352.935 2.809 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001312457436 1044118813 /nfs/dbraw/zinc/11/88/13/1044118813.db2.gz UJLWXCJNPMUZIP-HBFSDRIKSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001312457436 1044118819 /nfs/dbraw/zinc/11/88/19/1044118819.db2.gz UJLWXCJNPMUZIP-HBFSDRIKSA-N 1 3 360.546 2.927 20 0 FFADHO O=C1CCC[C@@]2(CN(CCCC(F)(F)F)CCN(c3cc[nH+]cc3)C2)N1 ZINC001280093426 1044197130 /nfs/dbraw/zinc/19/71/30/1044197130.db2.gz NMSXKAXBTSQCCO-KRWDZBQOSA-N 1 3 370.419 2.585 20 0 FFADHO c1ccc(CN2CCC=C(c3cnc(O[C@H]4CCC[NH2+]C4)nc3)C2)cc1 ZINC001240388208 1044323967 /nfs/dbraw/zinc/32/39/67/1044323967.db2.gz DFMPWOYYPFMTGJ-FQEVSTJZSA-N 1 3 350.466 2.897 20 0 FFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](CCCN1CCN(C)CC1)C2 ZINC001280246232 1044463017 /nfs/dbraw/zinc/46/30/17/1044463017.db2.gz VCKGYLPKIYNBNK-BDTNDASRSA-N 1 3 364.622 2.846 20 0 FFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](CCCN1CCN(C)CC1)C2 ZINC001280246232 1044463022 /nfs/dbraw/zinc/46/30/22/1044463022.db2.gz VCKGYLPKIYNBNK-BDTNDASRSA-N 1 3 364.622 2.846 20 0 FFADHO Oc1ccc(CCN2CCC[C@]3(CC[N@H+](CCn4ccnc4)C3)C2)cc1 ZINC001280259879 1044489283 /nfs/dbraw/zinc/48/92/83/1044489283.db2.gz NKJQKQBHAUWGHX-NRFANRHFSA-N 1 3 354.498 2.619 20 0 FFADHO Oc1ccc(CCN2CCC[C@]3(CC[N@@H+](CCn4ccnc4)C3)C2)cc1 ZINC001280259879 1044489291 /nfs/dbraw/zinc/48/92/91/1044489291.db2.gz NKJQKQBHAUWGHX-NRFANRHFSA-N 1 3 354.498 2.619 20 0 FFADHO COc1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)cc1CN(C)C ZINC001241770559 1044594463 /nfs/dbraw/zinc/59/44/63/1044594463.db2.gz GIYULYMGINKPQY-UHFFFAOYSA-N 1 3 355.482 2.715 20 0 FFADHO COc1c(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ccc(F)c1F ZINC001280336195 1044624866 /nfs/dbraw/zinc/62/48/66/1044624866.db2.gz UEPVKXBIYGNAPY-HXUWFJFHSA-N 1 3 367.484 2.823 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1CCCC1CCOCC1 ZINC001316737686 1044876567 /nfs/dbraw/zinc/87/65/67/1044876567.db2.gz VNQYCHJTIVVUHF-XUVXKRRUSA-N 1 3 367.578 2.749 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1CCCC1CCOCC1 ZINC001316737686 1044876590 /nfs/dbraw/zinc/87/65/90/1044876590.db2.gz VNQYCHJTIVVUHF-XUVXKRRUSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)COCCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001316794257 1044998839 /nfs/dbraw/zinc/99/88/39/1044998839.db2.gz CHOLGDJXUMULCW-XLIONFOSSA-N 1 3 361.530 2.613 20 0 FFADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC001319283481 1045096437 /nfs/dbraw/zinc/09/64/37/1045096437.db2.gz PIMIHYSJUBZJBB-SJORKVTESA-N 1 3 365.543 2.609 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)N1[C@H](C)CC[C@H]1C ZINC001320823888 1045475653 /nfs/dbraw/zinc/47/56/53/1045475653.db2.gz ZJUYSEFIAPSMDI-ZACQAIPSSA-N 1 3 359.514 2.843 20 0 FFADHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC001320823887 1045475717 /nfs/dbraw/zinc/47/57/17/1045475717.db2.gz ZJUYSEFIAPSMDI-IXDOHACOSA-N 1 3 359.514 2.843 20 0 FFADHO Cc1nc(N2CCCCC2)sc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC001324466826 1046046076 /nfs/dbraw/zinc/04/60/76/1046046076.db2.gz FZSYMDAUHZDZFM-UHFFFAOYSA-N 1 3 367.607 2.757 20 0 FFADHO Cc1nc(N2CCCCC2)sc1CN(C)CCC[N@H+](C)CCN(C)C ZINC001324466826 1046046090 /nfs/dbraw/zinc/04/60/90/1046046090.db2.gz FZSYMDAUHZDZFM-UHFFFAOYSA-N 1 3 367.607 2.757 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CCN1Cc1ccccc1 ZINC001323154654 1046363529 /nfs/dbraw/zinc/36/35/29/1046363529.db2.gz BEIWMTRBWFDJAS-LMCOJAPRSA-N 1 3 358.530 2.821 20 0 FFADHO CN(C)Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1C(F)(F)F ZINC001332124887 1048258112 /nfs/dbraw/zinc/25/81/12/1048258112.db2.gz CKSPAYSTSDTBOK-CYBMUJFWSA-N 1 3 365.346 2.950 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC001290846179 1048441752 /nfs/dbraw/zinc/44/17/52/1048441752.db2.gz BWWXYGFTLLCJME-UHFFFAOYSA-N 1 3 357.542 2.919 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001295994083 1050010221 /nfs/dbraw/zinc/01/02/21/1050010221.db2.gz IVDXCQIZFYCXLG-IKGGRYGDSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001295994083 1050010223 /nfs/dbraw/zinc/01/02/23/1050010223.db2.gz IVDXCQIZFYCXLG-IKGGRYGDSA-N 1 3 360.550 2.559 20 0 FFADHO CC[C@H](CNC(=O)C1(C2CC[NH2+]CC2)CC1)N1CCc2ccccc2C1 ZINC001341555804 1050184111 /nfs/dbraw/zinc/18/41/11/1050184111.db2.gz NYMZYAZFMFMPDF-HXUWFJFHSA-N 1 3 355.526 2.719 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1)[C@@H]1CCCN(C)C1 ZINC001340873271 1051205874 /nfs/dbraw/zinc/20/58/74/1051205874.db2.gz QPHPCERAILTEQA-QZTJIDSGSA-N 1 3 374.529 2.555 20 0 FFADHO CCN1C[C@@H](NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)C(C)(C)C1 ZINC001304041280 1051511358 /nfs/dbraw/zinc/51/13/58/1051511358.db2.gz KMXGICBZVLNGJF-LJQANCHMSA-N 1 3 361.530 2.867 20 0 FFADHO CCCN(C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)C1CCN(Cc2ccccc2)CC1 ZINC001343036878 1051652582 /nfs/dbraw/zinc/65/25/82/1051652582.db2.gz KNJMYUHSFVIMCX-MHTWAQMVSA-N 1 3 355.526 2.873 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C[NH3+])C2CCCCCC2)CC1 ZINC001341478147 1051833836 /nfs/dbraw/zinc/83/38/36/1051833836.db2.gz URGPBJSNSFXHRF-IBGZPJMESA-N 1 3 365.562 2.635 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001343407567 1052211863 /nfs/dbraw/zinc/21/18/63/1052211863.db2.gz FXWCKJNFEOPPJK-SFHVURJKSA-N 1 3 369.513 2.661 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)cc(Cl)n1 ZINC001343540382 1052293205 /nfs/dbraw/zinc/29/32/05/1052293205.db2.gz VQPSFSHAPGWKSU-CVEARBPZSA-N 1 3 364.921 2.801 20 0 FFADHO C[C@@H](Cc1ccccc1Cl)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001343973438 1052521758 /nfs/dbraw/zinc/52/17/58/1052521758.db2.gz VERDLODEGKGDNP-INIZCTEOSA-N 1 3 351.922 2.853 20 0 FFADHO CN(C)c1cccc(Cl)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001335379798 1053326794 /nfs/dbraw/zinc/32/67/94/1053326794.db2.gz CCPIRJAROJYZBR-INIZCTEOSA-N 1 3 351.922 2.997 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@]12CC[NH2+]C2 ZINC001335500078 1053401669 /nfs/dbraw/zinc/40/16/69/1053401669.db2.gz KNUFPGXXLAAYIV-CTNGQTDRSA-N 1 3 356.514 2.751 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)C[C@H](C)O1 ZINC001336738948 1054181493 /nfs/dbraw/zinc/18/14/93/1054181493.db2.gz JFMWWOKKCHUWDA-IYBDPMFKSA-N 1 3 351.466 2.633 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CCC[N@H+](CC4CC4)C3)c2cc1C ZINC001336797876 1054236478 /nfs/dbraw/zinc/23/64/78/1054236478.db2.gz FTYIXXXMFSNRNH-WOJBJXKFSA-N 1 3 370.541 2.726 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CCC[N@@H+](CC4CC4)C3)c2cc1C ZINC001336797876 1054236492 /nfs/dbraw/zinc/23/64/92/1054236492.db2.gz FTYIXXXMFSNRNH-WOJBJXKFSA-N 1 3 370.541 2.726 20 0 FFADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC001349487503 1055291572 /nfs/dbraw/zinc/29/15/72/1055291572.db2.gz PFASDOZGADQGAG-FQEVSTJZSA-N 1 3 355.526 2.952 20 0 FFADHO Cc1cnccc1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848991841 1055479151 /nfs/dbraw/zinc/47/91/51/1055479151.db2.gz MPBCKKTUUFZTIZ-UHFFFAOYSA-N 1 3 351.498 2.711 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001356560594 1055581469 /nfs/dbraw/zinc/58/14/69/1055581469.db2.gz VLPKFTBCEVRVCD-PZJWPPBQSA-N 1 3 356.514 2.751 20 0 FFADHO Cc1ccc([C@@H](O)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849071682 1055628228 /nfs/dbraw/zinc/62/82/28/1055628228.db2.gz UHNIBUQGWOGLCY-NRFANRHFSA-N 1 3 366.509 2.807 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(OCC(F)(F)F)c1 ZINC000849093936 1055636088 /nfs/dbraw/zinc/63/60/88/1055636088.db2.gz QOUZUUUZRDXKEQ-HNNXBMFYSA-N 1 3 372.435 2.768 20 0 FFADHO C[NH2+]CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)C(C)C ZINC001357417382 1055897837 /nfs/dbraw/zinc/89/78/37/1055897837.db2.gz HTWRIZXYSVKHHK-QGZVFWFLSA-N 1 3 352.548 2.651 20 0 FFADHO [NH3+]Cc1ccccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001357741377 1055997970 /nfs/dbraw/zinc/99/79/70/1055997970.db2.gz LWOAJWSBRIYXAX-UHFFFAOYSA-N 1 3 352.482 2.686 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)c2ccccc2O1 ZINC000847573850 1056077750 /nfs/dbraw/zinc/07/77/50/1056077750.db2.gz RXXCDKFTQSCDEM-LJQANCHMSA-N 1 3 367.493 2.760 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC001353478450 1056440053 /nfs/dbraw/zinc/44/00/53/1056440053.db2.gz XKMICKHJLHQHMV-JYJNAYRXSA-N 1 3 350.507 2.786 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C1(C2CC[NH2+]CC2)CC1 ZINC001353526648 1056499376 /nfs/dbraw/zinc/49/93/76/1056499376.db2.gz NPKDIQRPLPWART-UHFFFAOYSA-N 1 3 373.566 2.996 20 0 FFADHO [NH2+]=C(NC[C@H](CO)C1CCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849113599 1056767744 /nfs/dbraw/zinc/76/77/44/1056767744.db2.gz WGGDPTXKGPOJPH-HXUWFJFHSA-N 1 3 372.557 2.954 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccccn4)C3)CC2)CC1 ZINC000848035009 1058761454 /nfs/dbraw/zinc/76/14/54/1058761454.db2.gz IVRLLLARXCUKCT-IBGZPJMESA-N 1 3 370.541 2.594 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001502245300 1058787223 /nfs/dbraw/zinc/78/72/23/1058787223.db2.gz RPPGMLMASNXRLS-QZTJIDSGSA-N 1 3 362.566 2.806 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001502245828 1058790271 /nfs/dbraw/zinc/79/02/71/1058790271.db2.gz VYUHAFGSQWNXMV-JENIJYKNSA-N 1 3 362.566 2.626 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc(Cl)n1 ZINC001514681104 1059052545 /nfs/dbraw/zinc/05/25/45/1059052545.db2.gz NIJJJLKYLROZPW-PQEBFOHHSA-N 1 3 364.921 2.622 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc(Cl)n1 ZINC001514681105 1059053296 /nfs/dbraw/zinc/05/32/96/1059053296.db2.gz NIJJJLKYLROZPW-QMCVQRASSA-N 1 3 364.921 2.622 20 0 FFADHO CCN1[C@H](C)CN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001452580444 1059252420 /nfs/dbraw/zinc/25/24/20/1059252420.db2.gz BXBZBLOGGSAAAP-PSNYAHGMSA-N 1 3 359.514 2.581 20 0 FFADHO CCC[N@@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)C1 ZINC001547172690 1071927573 /nfs/dbraw/zinc/92/75/73/1071927573.db2.gz AIDFJCGEBMCOBI-SQNIBIBYSA-N 1 3 374.577 2.806 20 0 FFADHO CCC[N@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)C1 ZINC001547172690 1071927578 /nfs/dbraw/zinc/92/75/78/1071927578.db2.gz AIDFJCGEBMCOBI-SQNIBIBYSA-N 1 3 374.577 2.806 20 0 FFADHO CC(C)Oc1cccc([C@H](O)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000848527832 1060224113 /nfs/dbraw/zinc/22/41/13/1060224113.db2.gz IPONHHCZRYLZJO-LEWJYISDSA-N 1 3 362.514 2.740 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C[N@@H+]2C1 ZINC001521238251 1060484330 /nfs/dbraw/zinc/48/43/30/1060484330.db2.gz WLQNYGSCPHXLHF-POAQFYNOSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C[N@H+]2C1 ZINC001521238251 1060484338 /nfs/dbraw/zinc/48/43/38/1060484338.db2.gz WLQNYGSCPHXLHF-POAQFYNOSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@H](CC(=O)Nc1ccccc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001461347255 1061294782 /nfs/dbraw/zinc/29/47/82/1061294782.db2.gz SFQNOABGOAMJEU-NSISKUIASA-N 1 3 359.514 2.761 20 0 FFADHO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001462150481 1061519917 /nfs/dbraw/zinc/51/99/17/1061519917.db2.gz VOGACMAUIMBEDZ-QGZVFWFLSA-N 1 3 355.567 2.750 20 0 FFADHO CC(C)(C)[C@]1(CNCCN2CCNC2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001462584686 1061681844 /nfs/dbraw/zinc/68/18/44/1061681844.db2.gz FZZBLCWAHRWCSA-NRFANRHFSA-N 1 3 358.530 2.540 20 0 FFADHO CC(C)(C)[C@]1(CNCCN2CCNC2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462584686 1061681855 /nfs/dbraw/zinc/68/18/55/1061681855.db2.gz FZZBLCWAHRWCSA-NRFANRHFSA-N 1 3 358.530 2.540 20 0 FFADHO CC(C)(C)[C@]1(C[NH2+]CCN2CCNC2=O)CCN(Cc2ccccc2)C1 ZINC001462584686 1061681860 /nfs/dbraw/zinc/68/18/60/1061681860.db2.gz FZZBLCWAHRWCSA-NRFANRHFSA-N 1 3 358.530 2.540 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001479607439 1062620700 /nfs/dbraw/zinc/62/07/00/1062620700.db2.gz JDAOVYJGQVCXEU-CRAIPNDOSA-N 1 3 352.498 2.848 20 0 FFADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479626455 1062638797 /nfs/dbraw/zinc/63/87/97/1062638797.db2.gz ARUPNRQNJCHASJ-WOJBJXKFSA-N 1 3 361.505 2.996 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCCOc1ccccc1 ZINC001479712150 1062879008 /nfs/dbraw/zinc/87/90/08/1062879008.db2.gz ZOEWXMDXJJRHQQ-QUCCMNQESA-N 1 3 371.525 2.663 20 0 FFADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC001469102758 1064092092 /nfs/dbraw/zinc/09/20/92/1064092092.db2.gz UQNUERXNQNSANO-IBGZPJMESA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC001469102758 1064092098 /nfs/dbraw/zinc/09/20/98/1064092098.db2.gz UQNUERXNQNSANO-IBGZPJMESA-N 1 3 362.562 2.911 20 0 FFADHO C[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC001575071384 1078102461 /nfs/dbraw/zinc/10/24/61/1078102461.db2.gz KRMNKXSFPUSFCX-DUXKGJEZSA-N 1 3 357.542 2.963 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)C2CC3(C2)C[C@@H]([NH3+])CCS3)CC1 ZINC001575132326 1078110165 /nfs/dbraw/zinc/11/01/65/1078110165.db2.gz JJVKCEJHVGKSDU-WUJZJPHMSA-N 1 3 353.576 2.570 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001575423273 1078139441 /nfs/dbraw/zinc/13/94/41/1078139441.db2.gz RFFKAVMRTBSWFB-FPOVZHCZSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN(C2CCCC2)CC1 ZINC001575585930 1078155060 /nfs/dbraw/zinc/15/50/60/1078155060.db2.gz BRWUGHNIRGNNKL-SFHVURJKSA-N 1 3 360.550 2.813 20 0 FFADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2C[C@@H]2CC2(C)C)CC1 ZINC001575598928 1078156084 /nfs/dbraw/zinc/15/60/84/1078156084.db2.gz AFJSEINERGMKNB-MSOLQXFVSA-N 1 3 374.577 2.569 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001473757766 1065349007 /nfs/dbraw/zinc/34/90/07/1065349007.db2.gz AYMCDNRTYGSCMT-KRWDZBQOSA-N 1 3 371.566 2.847 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001473757766 1065349013 /nfs/dbraw/zinc/34/90/13/1065349013.db2.gz AYMCDNRTYGSCMT-KRWDZBQOSA-N 1 3 371.566 2.847 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC001473986117 1065434160 /nfs/dbraw/zinc/43/41/60/1065434160.db2.gz MIAIHTGWNYVTCB-INIZCTEOSA-N 1 3 355.473 2.960 20 0 FFADHO COc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1C(C)(C)C ZINC001473989366 1065434944 /nfs/dbraw/zinc/43/49/44/1065434944.db2.gz CJGLKORZGSDRAS-KRWDZBQOSA-N 1 3 361.530 2.670 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(CNC(=O)OC(C)(C)C)CC3)[C@@H]2C1 ZINC001474303353 1065489127 /nfs/dbraw/zinc/48/91/27/1065489127.db2.gz YBHOSTRBHIJTHM-WCUWXVSDSA-N 1 3 351.535 3.000 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC001576309704 1078214400 /nfs/dbraw/zinc/21/44/00/1078214400.db2.gz CMUIJVOWNLPLCK-PKOBYXMFSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Cl)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001474552809 1065548889 /nfs/dbraw/zinc/54/88/89/1065548889.db2.gz SCMPHLVBNCYJCR-HNNXBMFYSA-N 1 3 369.912 2.992 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Cl)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001474552812 1065549151 /nfs/dbraw/zinc/54/91/51/1065549151.db2.gz SCMPHLVBNCYJCR-OAHLLOKOSA-N 1 3 369.912 2.992 20 0 FFADHO CC1(C)[NH2+][C@H](CCC(=O)NC[C@H](c2cccs2)N2CCCC2)CO1 ZINC001576489312 1078235192 /nfs/dbraw/zinc/23/51/92/1078235192.db2.gz MKUCTXLXDBRGDL-HUUCEWRRSA-N 1 3 351.516 2.506 20 0 FFADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H]1CC2(CC2)C[NH2+]1 ZINC001577019105 1078294872 /nfs/dbraw/zinc/29/48/72/1078294872.db2.gz SQNAQAQQASHPMH-WNRNVDISSA-N 1 3 374.577 2.853 20 0 FFADHO CC[C@H](CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2)N1CCc2ccccc2C1 ZINC001577085466 1078302275 /nfs/dbraw/zinc/30/22/75/1078302275.db2.gz YTBHTQWVLQPETD-RZUBCFFCSA-N 1 3 355.526 2.862 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC001577495422 1078367043 /nfs/dbraw/zinc/36/70/43/1078367043.db2.gz JOXIRICJZGNIBL-RRQGHBQHSA-N 1 3 352.910 2.854 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001577524040 1078373673 /nfs/dbraw/zinc/37/36/73/1078373673.db2.gz RLITVODUYJAJKQ-UHFFFAOYSA-N 1 3 358.530 2.740 20 0 FFADHO CCN(CC)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC001577684950 1078387870 /nfs/dbraw/zinc/38/78/70/1078387870.db2.gz QABDSYKAMRJPKB-IAGOWNOFSA-N 1 3 372.517 2.759 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2CCCCC2)C[C@H]1C ZINC001577760665 1078397194 /nfs/dbraw/zinc/39/71/94/1078397194.db2.gz ZXTDJBQCXANDMB-RWQQGDIJSA-N 1 3 374.577 2.982 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC=C(C)C)C[C@@H]1C ZINC001577760127 1078397497 /nfs/dbraw/zinc/39/74/97/1078397497.db2.gz MOOKUWFHEAVLLE-XWTMOSNGSA-N 1 3 360.550 2.758 20 0 FFADHO CN(CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)Cc1ccncc1 ZINC001578466413 1078477341 /nfs/dbraw/zinc/47/73/41/1078477341.db2.gz LAMVKNPVPHWHBM-UFYCRDLUSA-N 1 3 358.530 2.673 20 0 FFADHO Cc1c(Br)cccc1CCN[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC001579516495 1078638301 /nfs/dbraw/zinc/63/83/01/1078638301.db2.gz NKORXFDMCJYRPO-HZPDHXFCSA-N 1 3 353.304 2.786 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@]23CCC[NH2+]C3)N(C)C)cc1 ZINC001579667647 1078659528 /nfs/dbraw/zinc/65/95/28/1078659528.db2.gz PGAUPRYZVLEISR-TZIWHRDSSA-N 1 3 358.530 2.915 20 0 FFADHO c1cc(N2CC[NH2+]CC2)oc1CNC1(CCOCc2ccccc2)CC1 ZINC001580893110 1078887932 /nfs/dbraw/zinc/88/79/32/1078887932.db2.gz SYUXXTSTRWTVJM-UHFFFAOYSA-N 1 3 355.482 2.918 20 0 FFADHO CN1C(=O)C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]1c1ccncc1 ZINC001549189908 1073683266 /nfs/dbraw/zinc/68/32/66/1073683266.db2.gz VDPPGMHAPUQFII-AVRDEDQJSA-N 1 3 370.541 2.988 20 0 FFADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001550280764 1074196791 /nfs/dbraw/zinc/19/67/91/1074196791.db2.gz GSPAWQISXBEIMJ-QZNYNHHHSA-N 1 3 356.514 2.653 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(-c4cc[nH]n4)o3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423945 1074262563 /nfs/dbraw/zinc/26/25/63/1074262563.db2.gz UYMUXFNNLZOCEQ-BWPNAZKDSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(-c4cc[nH]n4)o3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423945 1074262569 /nfs/dbraw/zinc/26/25/69/1074262569.db2.gz UYMUXFNNLZOCEQ-BWPNAZKDSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnn(-c4ccccc4)c3)C2)[C@@H]1C(C)C ZINC001550423351 1074262861 /nfs/dbraw/zinc/26/28/61/1074262861.db2.gz MALHVIJKGNOLJO-CMOCDZPBSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnn(-c4ccccc4)c3)C2)[C@@H]1C(C)C ZINC001550423351 1074262866 /nfs/dbraw/zinc/26/28/66/1074262866.db2.gz MALHVIJKGNOLJO-CMOCDZPBSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(F)cc(OC)c3)C2)[C@@H]1C(C)C ZINC001550424041 1074264504 /nfs/dbraw/zinc/26/45/04/1074264504.db2.gz XFVAOWNUCDCUEK-MUGJNUQGSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cc(F)cc(OC)c3)C2)[C@@H]1C(C)C ZINC001550424041 1074264506 /nfs/dbraw/zinc/26/45/06/1074264506.db2.gz XFVAOWNUCDCUEK-MUGJNUQGSA-N 1 3 350.478 2.794 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001550910711 1074527661 /nfs/dbraw/zinc/52/76/61/1074527661.db2.gz GXLFYNAMUBBCBD-KAGYGMCKSA-N 1 3 352.478 2.638 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001550910711 1074527665 /nfs/dbraw/zinc/52/76/65/1074527665.db2.gz GXLFYNAMUBBCBD-KAGYGMCKSA-N 1 3 352.478 2.638 20 0 FFADHO O=C1CC[C@@H](NCc2cc3ccccc3nc2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550910720 1074527885 /nfs/dbraw/zinc/52/78/85/1074527885.db2.gz AMTIIWVLZQOOLU-IEBWSBKVSA-N 1 3 372.900 2.625 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC001551382155 1074707060 /nfs/dbraw/zinc/70/70/60/1074707060.db2.gz RJOOXSXMADVWHF-UHFFFAOYSA-N 1 3 355.486 2.595 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]CC2(O)C3CC4CC(C3)CC2C4)CC1 ZINC001551399070 1074717409 /nfs/dbraw/zinc/71/74/09/1074717409.db2.gz KPWGDEYLMXJDHQ-UHFFFAOYSA-N 1 3 362.558 2.797 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(C(C)(C)C)cs1 ZINC001584324270 1079340717 /nfs/dbraw/zinc/34/07/17/1079340717.db2.gz JGHYEDKQBYFNAW-HNNXBMFYSA-N 1 3 366.575 2.929 20 0 FFADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)cn1 ZINC001552964117 1075179602 /nfs/dbraw/zinc/17/96/02/1075179602.db2.gz WCSFOIAFRPVYMI-SQGPQFPESA-N 1 3 355.486 2.586 20 0 FFADHO CCn1cc([C@@H]2OCC[C@@H]2C[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)cn1 ZINC001552964117 1075179604 /nfs/dbraw/zinc/17/96/04/1075179604.db2.gz WCSFOIAFRPVYMI-SQGPQFPESA-N 1 3 355.486 2.586 20 0 FFADHO CCn1cc([C@@H]2OCC[C@@H]2CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC001552964117 1075179606 /nfs/dbraw/zinc/17/96/06/1075179606.db2.gz WCSFOIAFRPVYMI-SQGPQFPESA-N 1 3 355.486 2.586 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC001553428028 1075305712 /nfs/dbraw/zinc/30/57/12/1075305712.db2.gz UCPZKWLIDLOGPR-HBMCJLEFSA-N 1 3 370.541 2.607 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001558253831 1075967482 /nfs/dbraw/zinc/96/74/82/1075967482.db2.gz XFWRPKJRTSEAAI-HXUWFJFHSA-N 1 3 373.541 2.658 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001558253831 1075967483 /nfs/dbraw/zinc/96/74/83/1075967483.db2.gz XFWRPKJRTSEAAI-HXUWFJFHSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001560043504 1076217084 /nfs/dbraw/zinc/21/70/84/1076217084.db2.gz BGNLIMRITHWIFB-XNFNUYLZSA-N 1 3 351.535 2.763 20 0 FFADHO COc1ccc(NC(=O)CCN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001560108813 1076229097 /nfs/dbraw/zinc/22/90/97/1076229097.db2.gz MLYZPYBRQJFPSE-MRXNPFEDSA-N 1 3 354.454 2.630 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@@H](C)C1 ZINC001560332887 1076264520 /nfs/dbraw/zinc/26/45/20/1076264520.db2.gz BBGFBAMYCABSOZ-LAUBAEHRSA-N 1 3 373.541 2.805 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OC(F)F ZINC001560395053 1076270026 /nfs/dbraw/zinc/27/00/26/1076270026.db2.gz AOMAXIOJZYQMTE-CVEARBPZSA-N 1 3 370.440 2.764 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CN1Cc1ccccc1 ZINC001564316915 1076624951 /nfs/dbraw/zinc/62/49/51/1076624951.db2.gz MTHVURRIWRBINH-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CN1Cc1ccccc1 ZINC001564316915 1076624952 /nfs/dbraw/zinc/62/49/52/1076624952.db2.gz MTHVURRIWRBINH-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3CCCCN3C)CC2)CC1 ZINC001564415960 1076631252 /nfs/dbraw/zinc/63/12/52/1076631252.db2.gz YXWQTYZEGVRLJU-ACBHZAAOSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001565426379 1076727913 /nfs/dbraw/zinc/72/79/13/1076727913.db2.gz BKNQEICWMSITPB-RBUKOAKNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001565426379 1076727916 /nfs/dbraw/zinc/72/79/16/1076727916.db2.gz BKNQEICWMSITPB-RBUKOAKNSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2oc(C(C)C)nc2C)C1)N(C)C ZINC001565914239 1076798389 /nfs/dbraw/zinc/79/83/89/1076798389.db2.gz AOCXDGOOELWRCV-BBWFWOEESA-N 1 3 364.534 2.821 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001565953897 1076809366 /nfs/dbraw/zinc/80/93/66/1076809366.db2.gz JQLFJAUOQLVZDQ-DFQSSKMNSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001566055192 1076883250 /nfs/dbraw/zinc/88/32/50/1076883250.db2.gz PAIKKJJRUVEVJY-KSZLIROESA-N 1 3 371.516 2.932 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001566055192 1076883255 /nfs/dbraw/zinc/88/32/55/1076883255.db2.gz PAIKKJJRUVEVJY-KSZLIROESA-N 1 3 371.516 2.932 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(Cl)cc(Cl)c1 ZINC001567016134 1076994323 /nfs/dbraw/zinc/99/43/23/1076994323.db2.gz DDZUDTUAUJKJQB-XHBSWPGZSA-N 1 3 358.313 2.928 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(Cl)cc(Cl)c1 ZINC001567016134 1076994328 /nfs/dbraw/zinc/99/43/28/1076994328.db2.gz DDZUDTUAUJKJQB-XHBSWPGZSA-N 1 3 358.313 2.928 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CCNCc2ocnc2C)CC[N@@H+]1C ZINC001568385883 1077089855 /nfs/dbraw/zinc/08/98/55/1077089855.db2.gz POSSVFSHGMIEIP-FGTMMUONSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CCNCc2ocnc2C)CC[N@H+]1C ZINC001568385883 1077089861 /nfs/dbraw/zinc/08/98/61/1077089861.db2.gz POSSVFSHGMIEIP-FGTMMUONSA-N 1 3 362.518 2.574 20 0 FFADHO Cc1ccc(F)c(CNC[C@H](C2CC2)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001571360727 1077248066 /nfs/dbraw/zinc/24/80/66/1077248066.db2.gz YTIDEANESJLWMP-XFQXTVEOSA-N 1 3 361.505 2.801 20 0 FFADHO Cc1ccc(F)c(CNC[C@H](C2CC2)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001571360727 1077248070 /nfs/dbraw/zinc/24/80/70/1077248070.db2.gz YTIDEANESJLWMP-XFQXTVEOSA-N 1 3 361.505 2.801 20 0 FFADHO CN(C)Cc1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000101646026 250084211 /nfs/dbraw/zinc/08/42/11/250084211.db2.gz ZNGMOAWMDHXDDQ-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO CCN1CCCN(C(=O)Nc2ccccc2OCC[NH+](CC)CC)CC1 ZINC000105352531 250211624 /nfs/dbraw/zinc/21/16/24/250211624.db2.gz KENBWKXJHJYWOZ-UHFFFAOYSA-N 1 3 362.518 2.967 20 0 FFADHO CC(C)[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)N(C)C ZINC000106917195 250300671 /nfs/dbraw/zinc/30/06/71/250300671.db2.gz FLTTXMXLNKOBGR-LJQANCHMSA-N 1 3 364.509 2.881 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000153056428 251097780 /nfs/dbraw/zinc/09/77/80/251097780.db2.gz NXPOLMYZYQPEBQ-RMRKRWHISA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000153056428 251097787 /nfs/dbraw/zinc/09/77/87/251097787.db2.gz NXPOLMYZYQPEBQ-RMRKRWHISA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000252651917 251311483 /nfs/dbraw/zinc/31/14/83/251311483.db2.gz WMEVDOSPWGHGMJ-HBFSDRIKSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000252651917 251311487 /nfs/dbraw/zinc/31/14/87/251311487.db2.gz WMEVDOSPWGHGMJ-HBFSDRIKSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cccc(OCCN(C)C)c1 ZINC000268737553 251371349 /nfs/dbraw/zinc/37/13/49/251371349.db2.gz ORCFXKBMUQGDOV-XLIONFOSSA-N 1 3 350.503 2.863 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000268791059 251387039 /nfs/dbraw/zinc/38/70/39/251387039.db2.gz GCZXVHXJLAPKSS-ICSRJNTNSA-N 1 3 361.530 2.766 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000268791059 251387041 /nfs/dbraw/zinc/38/70/41/251387041.db2.gz GCZXVHXJLAPKSS-ICSRJNTNSA-N 1 3 361.530 2.766 20 0 FFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(C(=O)OC)CCC1 ZINC000272485605 252050123 /nfs/dbraw/zinc/05/01/23/252050123.db2.gz JVOUFTKKXFGBKF-FQEVSTJZSA-N 1 3 374.525 2.855 20 0 FFADHO CNC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000272575958 252072155 /nfs/dbraw/zinc/07/21/55/252072155.db2.gz PRXKFIWBDULJJT-YWHRJQNKSA-N 1 3 355.526 2.791 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000273539224 252326894 /nfs/dbraw/zinc/32/68/94/252326894.db2.gz SUWAYOWOWVVBRQ-UXPWSPDFSA-N 1 3 358.530 2.804 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000276059061 256069226 /nfs/dbraw/zinc/06/92/26/256069226.db2.gz BKCBTYPNWDDZCB-HXUWFJFHSA-N 1 3 358.530 2.561 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)c2)CC1 ZINC000277140176 256164825 /nfs/dbraw/zinc/16/48/25/256164825.db2.gz VNGGFKJIZBYGBK-LJQANCHMSA-N 1 3 373.545 2.777 20 0 FFADHO C[C@H]1CN(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCO1 ZINC000277768454 256237106 /nfs/dbraw/zinc/23/71/06/256237106.db2.gz ZOIYGYDUUAJLNM-IBGZPJMESA-N 1 3 373.541 2.903 20 0 FFADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000286235319 257027181 /nfs/dbraw/zinc/02/71/81/257027181.db2.gz DHPHMLHSPGVDMK-SFTDATJTSA-N 1 3 371.525 2.608 20 0 FFADHO CN(CCCN(C)C(=O)c1ccccc1OCC[NH+](C)C)Cc1ccco1 ZINC000286451437 257038023 /nfs/dbraw/zinc/03/80/23/257038023.db2.gz HPCQRSCKFASWBO-UHFFFAOYSA-N 1 3 373.497 2.814 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000286582686 257044161 /nfs/dbraw/zinc/04/41/61/257044161.db2.gz WREIHMPYVVKVJQ-UNMCSNQZSA-N 1 3 356.558 2.615 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000286582686 257044162 /nfs/dbraw/zinc/04/41/62/257044162.db2.gz WREIHMPYVVKVJQ-UNMCSNQZSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000287307823 257082621 /nfs/dbraw/zinc/08/26/21/257082621.db2.gz NXLARMBFKLPMOK-NQIIRXRSSA-N 1 3 370.541 2.919 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288400227 257184589 /nfs/dbraw/zinc/18/45/89/257184589.db2.gz MTPQMMOQOOLYDS-UNMCSNQZSA-N 1 3 353.510 2.738 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288400227 257184590 /nfs/dbraw/zinc/18/45/90/257184590.db2.gz MTPQMMOQOOLYDS-UNMCSNQZSA-N 1 3 353.510 2.738 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000288678084 257217418 /nfs/dbraw/zinc/21/74/18/257217418.db2.gz WYDVZVGQFFPBDX-GOEBONIOSA-N 1 3 361.408 2.612 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000289397885 257278856 /nfs/dbraw/zinc/27/88/56/257278856.db2.gz FYYYYDSBOQJGIK-UHFFFAOYSA-N 1 3 361.530 2.790 20 0 FFADHO CN(CCCN(C)C(=O)NCC1CC[NH+](C2CC2)CC1)Cc1ccco1 ZINC000288903435 257236235 /nfs/dbraw/zinc/23/62/35/257236235.db2.gz ZZIMTNWODUJRFF-UHFFFAOYSA-N 1 3 362.518 2.617 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000289498015 257284414 /nfs/dbraw/zinc/28/44/14/257284414.db2.gz SMVWEGXAEXENOS-UHFFFAOYSA-N 1 3 353.457 2.747 20 0 FFADHO COCCOCc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000289690839 257294010 /nfs/dbraw/zinc/29/40/10/257294010.db2.gz KBKIJBPITSJTBC-OALUTQOASA-N 1 3 364.530 2.829 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000289736842 257296227 /nfs/dbraw/zinc/29/62/27/257296227.db2.gz IGGUEQMKLVSEQE-UHFFFAOYSA-N 1 3 369.513 2.727 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(C4CC4)ccn3)CC2)CC1 ZINC000290162362 257318201 /nfs/dbraw/zinc/31/82/01/257318201.db2.gz QXYYXICZHUSBNY-UHFFFAOYSA-N 1 3 357.502 2.639 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000290264780 257322706 /nfs/dbraw/zinc/32/27/06/257322706.db2.gz XWCYUNSBFREDOH-RTWAWAEBSA-N 1 3 373.541 2.562 20 0 FFADHO C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000290300833 257324690 /nfs/dbraw/zinc/32/46/90/257324690.db2.gz NNGQEMJAXMFMDL-PAXLWEDBSA-N 1 3 356.466 2.772 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CNC3CC[NH+](CC)CC3)c2)n1 ZINC000290656150 257350272 /nfs/dbraw/zinc/35/02/72/257350272.db2.gz ZINKDHLUMFJHFB-UHFFFAOYSA-N 1 3 356.470 2.623 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000299361896 257986807 /nfs/dbraw/zinc/98/68/07/257986807.db2.gz DQPYHNLXRZIYAJ-UHFFFAOYSA-N 1 3 359.514 2.718 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)C1 ZINC000410375970 512248194 /nfs/dbraw/zinc/24/81/94/512248194.db2.gz QVLIAEDTOKFRSO-SFHVURJKSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)C1 ZINC000410375970 512248197 /nfs/dbraw/zinc/24/81/97/512248197.db2.gz QVLIAEDTOKFRSO-SFHVURJKSA-N 1 3 358.530 2.766 20 0 FFADHO COCCN(C)CCC[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000065890794 506386308 /nfs/dbraw/zinc/38/63/08/506386308.db2.gz AWAPQAZJCFJJMV-UHFFFAOYSA-N 1 3 373.497 2.727 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000066174919 506434771 /nfs/dbraw/zinc/43/47/71/506434771.db2.gz KFHWBRPSMDZOBE-CVEARBPZSA-N 1 3 352.548 2.915 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000066174919 506434776 /nfs/dbraw/zinc/43/47/76/506434776.db2.gz KFHWBRPSMDZOBE-CVEARBPZSA-N 1 3 352.548 2.915 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[NH+](CC)CC)c(C)c2)CC1 ZINC000042845418 506672544 /nfs/dbraw/zinc/67/25/44/506672544.db2.gz JRXRUMXNUKNITD-UHFFFAOYSA-N 1 3 361.534 2.600 20 0 FFADHO CC[NH+]1CCC(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000068229809 507155775 /nfs/dbraw/zinc/15/57/75/507155775.db2.gz BYCFLDMSGUWOFY-IBGZPJMESA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)CC1 ZINC000375479556 512352344 /nfs/dbraw/zinc/35/23/44/512352344.db2.gz CCWDITBPAMCGLM-NJYVYQBISA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)CC1 ZINC000375479556 512352345 /nfs/dbraw/zinc/35/23/45/512352345.db2.gz CCWDITBPAMCGLM-NJYVYQBISA-N 1 3 351.579 2.808 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000027355347 507648886 /nfs/dbraw/zinc/64/88/86/507648886.db2.gz MNMCDOYFRQZCHQ-SFHVURJKSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)CC1 ZINC000375479557 512352522 /nfs/dbraw/zinc/35/25/22/512352522.db2.gz CCWDITBPAMCGLM-PWRODBHTSA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)CC1 ZINC000375479557 512352524 /nfs/dbraw/zinc/35/25/24/512352524.db2.gz CCWDITBPAMCGLM-PWRODBHTSA-N 1 3 351.579 2.808 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000050110270 507663826 /nfs/dbraw/zinc/66/38/26/507663826.db2.gz QRDKJBOBJPIBGK-KRWDZBQOSA-N 1 3 364.559 2.745 20 0 FFADHO Cc1ccc(OCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801748 507716168 /nfs/dbraw/zinc/71/61/68/507716168.db2.gz LMMMEVKAYBJQOY-UHFFFAOYSA-N 1 3 373.541 2.829 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000071935603 507726896 /nfs/dbraw/zinc/72/68/96/507726896.db2.gz PEAQQKFFJBYZAY-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000051758340 507783464 /nfs/dbraw/zinc/78/34/64/507783464.db2.gz BUEFZURIGNZAJU-MDZRGWNJSA-N 1 3 350.551 2.669 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759796 507783621 /nfs/dbraw/zinc/78/36/21/507783621.db2.gz QADQPNJLJLVIIP-INIZCTEOSA-N 1 3 374.529 2.614 20 0 FFADHO CC(C)Cc1ncc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000377629505 512365392 /nfs/dbraw/zinc/36/53/92/512365392.db2.gz PLSPBPKFMJEUIO-KRWDZBQOSA-N 1 3 350.576 2.942 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108537444 507901875 /nfs/dbraw/zinc/90/18/75/507901875.db2.gz CLNMTMRKWAGYQX-VQTJNVASSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108537444 507901879 /nfs/dbraw/zinc/90/18/79/507901879.db2.gz CLNMTMRKWAGYQX-VQTJNVASSA-N 1 3 356.514 2.607 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000108552076 507903423 /nfs/dbraw/zinc/90/34/23/507903423.db2.gz OTTVDWCYXMSOSR-RDJZCZTQSA-N 1 3 352.548 2.772 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000108552076 507903425 /nfs/dbraw/zinc/90/34/25/507903425.db2.gz OTTVDWCYXMSOSR-RDJZCZTQSA-N 1 3 352.548 2.772 20 0 FFADHO COc1ccc(C[C@H](C)CN(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000090616418 507930596 /nfs/dbraw/zinc/93/05/96/507930596.db2.gz UPDUKJSRHZSEOZ-KRWDZBQOSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@H](CNC(=O)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000079408862 507959858 /nfs/dbraw/zinc/95/98/58/507959858.db2.gz ZDUNIWBXQIUNOC-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(C)C(F)(F)F)cc1 ZINC000079452442 507963536 /nfs/dbraw/zinc/96/35/36/507963536.db2.gz UQZSUWNYADZRID-GFCCVEGCSA-N 1 3 359.392 2.895 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000073905135 507965546 /nfs/dbraw/zinc/96/55/46/507965546.db2.gz GKOHAYGWZLMUKJ-VYDXJSESSA-N 1 3 352.548 2.770 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000073992303 507974312 /nfs/dbraw/zinc/97/43/12/507974312.db2.gz QFWLVLHTQJCVHV-MOPGFXCFSA-N 1 3 359.514 2.716 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000079734657 507996808 /nfs/dbraw/zinc/99/68/08/507996808.db2.gz VUZUZWIJFUCTKK-OAQYLSRUSA-N 1 3 368.525 2.720 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000092456622 508072369 /nfs/dbraw/zinc/07/23/69/508072369.db2.gz HAGNJSZYQDDVRM-IBGZPJMESA-N 1 3 359.514 2.604 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000092456622 508072371 /nfs/dbraw/zinc/07/23/71/508072371.db2.gz HAGNJSZYQDDVRM-IBGZPJMESA-N 1 3 359.514 2.604 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC(C1CC1)C1CC1 ZINC000092820925 508102302 /nfs/dbraw/zinc/10/23/02/508102302.db2.gz XTZIHEDSOUOCMS-UHFFFAOYSA-N 1 3 370.541 2.925 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093348778 508140476 /nfs/dbraw/zinc/14/04/76/508140476.db2.gz FYLMAEAXCGUNLT-SFHVURJKSA-N 1 3 373.545 2.862 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093348778 508140480 /nfs/dbraw/zinc/14/04/80/508140480.db2.gz FYLMAEAXCGUNLT-SFHVURJKSA-N 1 3 373.545 2.862 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000098034235 508232432 /nfs/dbraw/zinc/23/24/32/508232432.db2.gz NXYWXXPDIPMRQJ-KZNAEPCWSA-N 1 3 360.546 2.914 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000085388203 508305035 /nfs/dbraw/zinc/30/50/35/508305035.db2.gz PWEWLNOGVLDJNS-PXNSSMCTSA-N 1 3 358.530 2.764 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCN2CCCCC2=O)CC1 ZINC000088716562 508381622 /nfs/dbraw/zinc/38/16/22/508381622.db2.gz FUAXEAGNSMKUPB-UHFFFAOYSA-N 1 3 372.557 2.711 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000088715343 508381652 /nfs/dbraw/zinc/38/16/52/508381652.db2.gz YSPWVXQWFXAPTL-JOCHJYFZSA-N 1 3 367.537 2.912 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1Cl ZINC000077836724 508382900 /nfs/dbraw/zinc/38/29/00/508382900.db2.gz HCQGLSBYYVHRBE-CYBMUJFWSA-N 1 3 358.889 2.675 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ncc(-c2ccccc2)o1 ZINC000077844883 508384422 /nfs/dbraw/zinc/38/44/22/508384422.db2.gz APSYPATXGSKUMW-INIZCTEOSA-N 1 3 373.501 2.537 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3c[nH]c4ccc(F)cc34)CC2)CC1 ZINC000115351946 508387181 /nfs/dbraw/zinc/38/71/81/508387181.db2.gz OIFMGUWSTQGEGG-UHFFFAOYSA-N 1 3 372.488 2.524 20 0 FFADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Oc1ccncc1 ZINC000115371121 508388093 /nfs/dbraw/zinc/38/80/93/508388093.db2.gz IADHMMPMLXUWKS-UHFFFAOYSA-N 1 3 370.497 2.748 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000115829956 508443993 /nfs/dbraw/zinc/44/39/93/508443993.db2.gz RDKYKCXUCOHSRO-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000115829956 508443997 /nfs/dbraw/zinc/44/39/97/508443997.db2.gz RDKYKCXUCOHSRO-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCOCc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000121943612 508454075 /nfs/dbraw/zinc/45/40/75/508454075.db2.gz QMSIHPSEYUIUSL-UHFFFAOYSA-N 1 3 374.529 2.903 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000127714690 508490057 /nfs/dbraw/zinc/49/00/57/508490057.db2.gz PZJFPZQAFHDETE-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000127714690 508490059 /nfs/dbraw/zinc/49/00/59/508490059.db2.gz PZJFPZQAFHDETE-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](N4CCCC4)C3)CC2)CC1 ZINC000152748611 508507654 /nfs/dbraw/zinc/50/76/54/508507654.db2.gz RYGCREVPJNTJDD-MHJFOBGBSA-N 1 3 362.562 2.909 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000157669551 508595425 /nfs/dbraw/zinc/59/54/25/508595425.db2.gz YSYCVRAKFXXQMH-HNNXBMFYSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000157669551 508595429 /nfs/dbraw/zinc/59/54/29/508595429.db2.gz YSYCVRAKFXXQMH-HNNXBMFYSA-N 1 3 354.445 2.845 20 0 FFADHO Cc1nccn1CCCCN1CC[N@@H+](CCCCn2ccnc2C)C[C@@H]1C ZINC000128622691 508619676 /nfs/dbraw/zinc/61/96/76/508619676.db2.gz FRYOLKLCIPYAQH-IBGZPJMESA-N 1 3 372.561 2.963 20 0 FFADHO Cc1nccn1CCCCN1CC[N@H+](CCCCn2ccnc2C)C[C@@H]1C ZINC000128622691 508619677 /nfs/dbraw/zinc/61/96/77/508619677.db2.gz FRYOLKLCIPYAQH-IBGZPJMESA-N 1 3 372.561 2.963 20 0 FFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(Br)ccc1F ZINC000123010018 508621832 /nfs/dbraw/zinc/62/18/32/508621832.db2.gz MZGOVKYAUWSWFT-UHFFFAOYSA-N 1 3 358.299 2.658 20 0 FFADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CC3 ZINC000123078772 508632391 /nfs/dbraw/zinc/63/23/91/508632391.db2.gz OQDXVNURJFRIMG-KRWDZBQOSA-N 1 3 370.541 2.649 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000129384789 508720994 /nfs/dbraw/zinc/72/09/94/508720994.db2.gz FPUDWQNCNYNAIT-GOSISDBHSA-N 1 3 358.530 2.766 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000129501495 508733752 /nfs/dbraw/zinc/73/37/52/508733752.db2.gz OIMCBTYBJGWOKF-NVXWUHKLSA-N 1 3 352.548 2.724 20 0 FFADHO C[C@@H](O)[C@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000119427737 508794500 /nfs/dbraw/zinc/79/45/00/508794500.db2.gz KXGMLMFYOBTNTQ-JVSBHGNQSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000119427737 508794503 /nfs/dbraw/zinc/79/45/03/508794503.db2.gz KXGMLMFYOBTNTQ-JVSBHGNQSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000119427737 508794505 /nfs/dbraw/zinc/79/45/05/508794505.db2.gz KXGMLMFYOBTNTQ-JVSBHGNQSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000119427737 508794509 /nfs/dbraw/zinc/79/45/09/508794509.db2.gz KXGMLMFYOBTNTQ-JVSBHGNQSA-N 1 3 360.542 2.872 20 0 FFADHO Cc1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)c(OCCN(C)C)c1 ZINC000154582896 508813465 /nfs/dbraw/zinc/81/34/65/508813465.db2.gz TZHDWBJSIBVUHB-UHFFFAOYSA-N 1 3 362.518 2.931 20 0 FFADHO Cc1ccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c(OCCN(C)C)c1 ZINC000154582896 508813468 /nfs/dbraw/zinc/81/34/68/508813468.db2.gz TZHDWBJSIBVUHB-UHFFFAOYSA-N 1 3 362.518 2.931 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(OCCN(C)C)c1 ZINC000154640677 508824637 /nfs/dbraw/zinc/82/46/37/508824637.db2.gz NILZMDASBMFQCG-QGZVFWFLSA-N 1 3 360.502 2.541 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(OCCN(C)C)c1 ZINC000154640677 508824643 /nfs/dbraw/zinc/82/46/43/508824643.db2.gz NILZMDASBMFQCG-QGZVFWFLSA-N 1 3 360.502 2.541 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000119716887 508849659 /nfs/dbraw/zinc/84/96/59/508849659.db2.gz XEUQHLBCYUCPAG-UHFFFAOYSA-N 1 3 350.507 2.616 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)cc2)CC1 ZINC000119753880 508856898 /nfs/dbraw/zinc/85/68/98/508856898.db2.gz FYXANIFJYVFTGK-IBGZPJMESA-N 1 3 372.557 2.536 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)cc2)CC1 ZINC000119753880 508856899 /nfs/dbraw/zinc/85/68/99/508856899.db2.gz FYXANIFJYVFTGK-IBGZPJMESA-N 1 3 372.557 2.536 20 0 FFADHO Cc1c(Br)cccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120056780 508918718 /nfs/dbraw/zinc/91/87/18/508918718.db2.gz MCFAPVCCGULAAI-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccccc2)N(C)C)o1 ZINC000125733453 509023388 /nfs/dbraw/zinc/02/33/88/509023388.db2.gz QFGCVBTWMWVRBJ-FQEVSTJZSA-N 1 3 372.513 2.964 20 0 FFADHO CC[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000120744262 509056764 /nfs/dbraw/zinc/05/67/64/509056764.db2.gz PJDDHJYGDUWJRI-MRXNPFEDSA-N 1 3 352.548 2.772 20 0 FFADHO CC[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000120744262 509056768 /nfs/dbraw/zinc/05/67/68/509056768.db2.gz PJDDHJYGDUWJRI-MRXNPFEDSA-N 1 3 352.548 2.772 20 0 FFADHO CN(C)Cc1cccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000155821980 509077051 /nfs/dbraw/zinc/07/70/51/509077051.db2.gz SOPBHZUBFMOXDP-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCCO2 ZINC000132883874 509087003 /nfs/dbraw/zinc/08/70/03/509087003.db2.gz KWGJUPCVQCHKJU-APWZRJJASA-N 1 3 360.498 2.999 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000161635262 509138592 /nfs/dbraw/zinc/13/85/92/509138592.db2.gz PDJQHIMUWMCVPT-QXCZDIPSSA-N 1 3 354.535 2.833 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCC[C@@H](C)C1 ZINC000195640087 509214001 /nfs/dbraw/zinc/21/40/01/509214001.db2.gz XGYWLIPPLYNFCI-MOPGFXCFSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCC[C@@H](C)C1 ZINC000195640088 509214856 /nfs/dbraw/zinc/21/48/56/509214856.db2.gz XGYWLIPPLYNFCI-RTBURBONSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CCCCN1Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000182449133 509244067 /nfs/dbraw/zinc/24/40/67/509244067.db2.gz QHFQQLZKBZOAPI-VQIMIIECSA-N 1 3 350.528 2.728 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248388732 509285691 /nfs/dbraw/zinc/28/56/91/509285691.db2.gz ACQBXASILCJDJS-JRBPQWBISA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248388732 509285694 /nfs/dbraw/zinc/28/56/94/509285694.db2.gz ACQBXASILCJDJS-JRBPQWBISA-N 1 3 362.562 2.765 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248399673 509293369 /nfs/dbraw/zinc/29/33/69/509293369.db2.gz PDJQHIMUWMCVPT-HVMFNXBNSA-N 1 3 354.535 2.833 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N1CCCCCC1 ZINC000248419721 509308458 /nfs/dbraw/zinc/30/84/58/509308458.db2.gz LFSJXIXYYYVNLQ-RXVVDRJESA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N1CCCCCC1 ZINC000248419721 509308464 /nfs/dbraw/zinc/30/84/64/509308464.db2.gz LFSJXIXYYYVNLQ-RXVVDRJESA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000221837776 509310565 /nfs/dbraw/zinc/31/05/65/509310565.db2.gz QNKIETRUBYDPNI-GGPKGHCWSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000221837776 509310572 /nfs/dbraw/zinc/31/05/72/509310572.db2.gz QNKIETRUBYDPNI-GGPKGHCWSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248634212 509404685 /nfs/dbraw/zinc/40/46/85/509404685.db2.gz JMXWWWFLJHSQIS-XBYSBRQOSA-N 1 3 370.585 2.513 20 0 FFADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc(CN2CCCC2)c1 ZINC000264243097 509405847 /nfs/dbraw/zinc/40/58/47/509405847.db2.gz JRKDCJMWUPMZGU-UHFFFAOYSA-N 1 3 371.525 2.657 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840464 509453468 /nfs/dbraw/zinc/45/34/68/509453468.db2.gz QUWRBJQLZPDOKJ-ZWKOTPCHSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840464 509453476 /nfs/dbraw/zinc/45/34/76/509453476.db2.gz QUWRBJQLZPDOKJ-ZWKOTPCHSA-N 1 3 352.567 2.869 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248724577 509454412 /nfs/dbraw/zinc/45/44/12/509454412.db2.gz HQQULPPNVOLZKO-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248724577 509454421 /nfs/dbraw/zinc/45/44/21/509454421.db2.gz HQQULPPNVOLZKO-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2)CC1 ZINC000236612911 509464588 /nfs/dbraw/zinc/46/45/88/509464588.db2.gz UUGBQIUADAGYHY-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3CSCCN3)c2)CC1 ZINC000236638676 509469016 /nfs/dbraw/zinc/46/90/16/509469016.db2.gz VDTBUTRPTZCTDJ-IBGZPJMESA-N 1 3 361.555 2.630 20 0 FFADHO CC(C)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236679685 509479164 /nfs/dbraw/zinc/47/91/64/509479164.db2.gz GABKNMHAQBHGFN-OAQYLSRUSA-N 1 3 357.542 2.965 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000164548802 509513372 /nfs/dbraw/zinc/51/33/72/509513372.db2.gz BGJOWUMRALQQRU-NRFANRHFSA-N 1 3 351.494 2.646 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236835790 509515073 /nfs/dbraw/zinc/51/50/73/509515073.db2.gz FRFYTNOEVXGKTB-HOCLYGCPSA-N 1 3 357.420 2.814 20 0 FFADHO Cc1ccc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000182958816 509517154 /nfs/dbraw/zinc/51/71/54/509517154.db2.gz SAYLDDOHLSGDCM-INIZCTEOSA-N 1 3 366.937 2.545 20 0 FFADHO CC(C)(CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000164924244 509544766 /nfs/dbraw/zinc/54/47/66/509544766.db2.gz DNNCEUPUTBGJKZ-XGSMCBPESA-N 1 3 355.526 2.860 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000248971819 509559433 /nfs/dbraw/zinc/55/94/33/509559433.db2.gz GUXYXHIJJVPSNW-NHCUHLMSSA-N 1 3 370.541 2.799 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000248971819 509559437 /nfs/dbraw/zinc/55/94/37/509559437.db2.gz GUXYXHIJJVPSNW-NHCUHLMSSA-N 1 3 370.541 2.799 20 0 FFADHO CN(CCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1)Cc1ccccc1 ZINC000237065842 509563662 /nfs/dbraw/zinc/56/36/62/509563662.db2.gz YRDQVUHLYABVQS-UHFFFAOYSA-N 1 3 365.521 2.946 20 0 FFADHO COCCOc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000264547935 509593222 /nfs/dbraw/zinc/59/32/22/509593222.db2.gz REERKHJOOAZHDT-ROUUACIJSA-N 1 3 350.503 2.691 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179754759 509607078 /nfs/dbraw/zinc/60/70/78/509607078.db2.gz DSWWUASPRUWUKC-HXUWFJFHSA-N 1 3 371.529 2.568 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C1CC1 ZINC000186272752 509615425 /nfs/dbraw/zinc/61/54/25/509615425.db2.gz LOOXEOWYAJYFLG-SFTDATJTSA-N 1 3 368.525 2.553 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C1CC1 ZINC000186272752 509615432 /nfs/dbraw/zinc/61/54/32/509615432.db2.gz LOOXEOWYAJYFLG-SFTDATJTSA-N 1 3 368.525 2.553 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000166932257 509619403 /nfs/dbraw/zinc/61/94/03/509619403.db2.gz GYSPBWMTZYKMJY-VCSGRIEYSA-N 1 3 371.525 2.750 20 0 FFADHO Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(OCCN(C)C)c1 ZINC000173475766 509623901 /nfs/dbraw/zinc/62/39/01/509623901.db2.gz YVKAXLCGNXPLDW-QGZVFWFLSA-N 1 3 362.518 2.741 20 0 FFADHO Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(OCCN(C)C)c1 ZINC000173475766 509623907 /nfs/dbraw/zinc/62/39/07/509623907.db2.gz YVKAXLCGNXPLDW-QGZVFWFLSA-N 1 3 362.518 2.741 20 0 FFADHO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000183149050 509627996 /nfs/dbraw/zinc/62/79/96/509627996.db2.gz DKDHZNUEARYKBV-WOZUAGRISA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@@H](N[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183149050 509628003 /nfs/dbraw/zinc/62/80/03/509628003.db2.gz DKDHZNUEARYKBV-WOZUAGRISA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@@H](N[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183149050 509628010 /nfs/dbraw/zinc/62/80/10/509628010.db2.gz DKDHZNUEARYKBV-WOZUAGRISA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)C[C@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000168542449 509648223 /nfs/dbraw/zinc/64/82/23/509648223.db2.gz CCBNRKRULYHDMQ-SFHVURJKSA-N 1 3 360.502 2.813 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173563849 509653737 /nfs/dbraw/zinc/65/37/37/509653737.db2.gz GPZBXVXVOQAGAI-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173563849 509653744 /nfs/dbraw/zinc/65/37/44/509653744.db2.gz GPZBXVXVOQAGAI-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000173596098 509666314 /nfs/dbraw/zinc/66/63/14/509666314.db2.gz ULNJQFFIEPGZHW-NHCUHLMSSA-N 1 3 373.541 2.560 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000192848664 509671196 /nfs/dbraw/zinc/67/11/96/509671196.db2.gz LKXUHYXUUAAPQS-VQTJNVASSA-N 1 3 367.484 2.801 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000268115474 509763553 /nfs/dbraw/zinc/76/35/53/509763553.db2.gz KJDJKTBWHUKLKH-HYCNCBECSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000268115474 509763556 /nfs/dbraw/zinc/76/35/56/509763556.db2.gz KJDJKTBWHUKLKH-HYCNCBECSA-N 1 3 370.541 2.964 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268114654 509763869 /nfs/dbraw/zinc/76/38/69/509763869.db2.gz DGCGXVHURKMORQ-UZLBHIALSA-N 1 3 358.530 2.762 20 0 FFADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN1CCN(C)CC1 ZINC000180134658 509768945 /nfs/dbraw/zinc/76/89/45/509768945.db2.gz PNSFCRJNKSEVBM-ZSJMHYJMSA-N 1 3 370.585 2.655 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000173782611 509774413 /nfs/dbraw/zinc/77/44/13/509774413.db2.gz OJJXXKFAHDHXTQ-VQTJNVASSA-N 1 3 358.530 2.907 20 0 FFADHO Cc1nc(C(F)(F)F)c(CN(C)CCC[NH+]2CCN(C)CC2)s1 ZINC000183634952 509897383 /nfs/dbraw/zinc/89/73/83/509897383.db2.gz CODXPJDLBGVHCF-UHFFFAOYSA-N 1 3 350.454 2.540 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000171078590 509928286 /nfs/dbraw/zinc/92/82/86/509928286.db2.gz IRRLKFCUPVOEFC-INIZCTEOSA-N 1 3 350.507 2.616 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000171078590 509928294 /nfs/dbraw/zinc/92/82/94/509928294.db2.gz IRRLKFCUPVOEFC-INIZCTEOSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000183824069 509992700 /nfs/dbraw/zinc/99/27/00/509992700.db2.gz ZHJNKVWOCSBGST-QGZVFWFLSA-N 1 3 353.551 2.647 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CCCCC2)[C@H](C)C1 ZINC000187024438 510014057 /nfs/dbraw/zinc/01/40/57/510014057.db2.gz JWAGGYGUPXWFOO-AOIWGVFYSA-N 1 3 353.551 2.550 20 0 FFADHO CC(C)Oc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261794562 510066130 /nfs/dbraw/zinc/06/61/30/510066130.db2.gz IJKQEACOBZYDBA-QUCCMNQESA-N 1 3 359.514 2.554 20 0 FFADHO COc1ccccc1OCCN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171304296 510069310 /nfs/dbraw/zinc/06/93/10/510069310.db2.gz MYBYSSALOWBMKX-QZTJIDSGSA-N 1 3 362.514 2.895 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261829515 510082349 /nfs/dbraw/zinc/08/23/49/510082349.db2.gz KXMSFDPMKFXEEB-DOTOQJQBSA-N 1 3 369.431 2.786 20 0 FFADHO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000268721472 510087203 /nfs/dbraw/zinc/08/72/03/510087203.db2.gz IOFNFYXOEXBPQU-PXNSSMCTSA-N 1 3 350.503 2.863 20 0 FFADHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261889653 510102527 /nfs/dbraw/zinc/10/25/27/510102527.db2.gz BRPJTFHBWXGVEP-RBBKRZOGSA-N 1 3 367.537 2.891 20 0 FFADHO O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261889651 510102935 /nfs/dbraw/zinc/10/29/35/510102935.db2.gz BRPJTFHBWXGVEP-IFMALSPDSA-N 1 3 367.537 2.891 20 0 FFADHO C[C@H]1C[C@@H](NCCC(=O)NCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268859513 510104356 /nfs/dbraw/zinc/10/43/56/510104356.db2.gz VEZQTANOQOXKOU-RXVVDRJESA-N 1 3 366.509 2.731 20 0 FFADHO C[C@H]1C[C@@H](NCCC(=O)NCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268859513 510104362 /nfs/dbraw/zinc/10/43/62/510104362.db2.gz VEZQTANOQOXKOU-RXVVDRJESA-N 1 3 366.509 2.731 20 0 FFADHO C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN1CCN(C)CC1 ZINC000245725874 510108973 /nfs/dbraw/zinc/10/89/73/510108973.db2.gz PNSFCRJNKSEVBM-SNJCGAMXSA-N 1 3 370.585 2.655 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261929159 510120276 /nfs/dbraw/zinc/12/02/76/510120276.db2.gz KSVHXLAAHIEHGX-VQTJNVASSA-N 1 3 355.526 2.747 20 0 FFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000261948707 510125345 /nfs/dbraw/zinc/12/53/45/510125345.db2.gz YSMMFTYIXJJHKZ-WHSGIHJSSA-N 1 3 355.526 2.921 20 0 FFADHO C[C@H]1Oc2ccccc2OC1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262108386 510181651 /nfs/dbraw/zinc/18/16/51/510181651.db2.gz UKMUFNJTNKMAJP-BZNIZROVSA-N 1 3 359.451 2.777 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000177678471 510196524 /nfs/dbraw/zinc/19/65/24/510196524.db2.gz CNWPIUBTKGTQKG-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000177678471 510196533 /nfs/dbraw/zinc/19/65/33/510196533.db2.gz CNWPIUBTKGTQKG-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000245913211 510202568 /nfs/dbraw/zinc/20/25/68/510202568.db2.gz XHVNQERXOUFQTR-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000245913211 510202576 /nfs/dbraw/zinc/20/25/76/510202576.db2.gz XHVNQERXOUFQTR-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000269055731 510213327 /nfs/dbraw/zinc/21/33/27/510213327.db2.gz JFHOHVOWJPZRTR-WMZOPIPTSA-N 1 3 368.518 2.728 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000245969572 510231797 /nfs/dbraw/zinc/23/17/97/510231797.db2.gz FGTLVMCUASQVEM-HLAWJBBLSA-N 1 3 368.562 2.519 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000245969572 510231803 /nfs/dbraw/zinc/23/18/03/510231803.db2.gz FGTLVMCUASQVEM-HLAWJBBLSA-N 1 3 368.562 2.519 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262308054 510239266 /nfs/dbraw/zinc/23/92/66/510239266.db2.gz CLVQUEGZFXQVEQ-ABSDTBQOSA-N 1 3 361.555 2.856 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000171633194 510264138 /nfs/dbraw/zinc/26/41/38/510264138.db2.gz HZZQLXZOIWNOSP-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)c2csc(CC[NH3+])n2)CCN1Cc1ccccc1 ZINC000262423793 510274828 /nfs/dbraw/zinc/27/48/28/510274828.db2.gz VKDRXOBKPUYQJJ-NVXWUHKLSA-N 1 3 372.538 2.769 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1)C(C)C ZINC000184347294 510276637 /nfs/dbraw/zinc/27/66/37/510276637.db2.gz CPKZOMFCGIZOCG-LJQANCHMSA-N 1 3 374.573 2.673 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1)C(C)C ZINC000184347294 510276643 /nfs/dbraw/zinc/27/66/43/510276643.db2.gz CPKZOMFCGIZOCG-LJQANCHMSA-N 1 3 374.573 2.673 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1Cl ZINC000262437450 510280279 /nfs/dbraw/zinc/28/02/79/510280279.db2.gz UNLZLDWCJDLLGV-IFXJQAMLSA-N 1 3 365.905 2.999 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)N(C)C)cc1 ZINC000177842891 510285043 /nfs/dbraw/zinc/28/50/43/510285043.db2.gz VVCMMMISCYIGCF-UYAOXDASSA-N 1 3 360.546 2.835 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC)C2)N(C)C)cc1 ZINC000177842891 510285047 /nfs/dbraw/zinc/28/50/47/510285047.db2.gz VVCMMMISCYIGCF-UYAOXDASSA-N 1 3 360.546 2.835 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000269242361 510305658 /nfs/dbraw/zinc/30/56/58/510305658.db2.gz BSZYYXXELQPSME-PZJWPPBQSA-N 1 3 351.494 2.709 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000269242361 510305660 /nfs/dbraw/zinc/30/56/60/510305660.db2.gz BSZYYXXELQPSME-PZJWPPBQSA-N 1 3 351.494 2.709 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269272893 510317273 /nfs/dbraw/zinc/31/72/73/510317273.db2.gz UPAVPNQKFDLAPY-FQEVSTJZSA-N 1 3 366.509 2.818 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266056160 510385166 /nfs/dbraw/zinc/38/51/66/510385166.db2.gz UZAPPTJAQUQXIK-FQEVSTJZSA-N 1 3 355.526 2.843 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000184554570 510385721 /nfs/dbraw/zinc/38/57/21/510385721.db2.gz XWZMZCXAJYVXBR-PMACEKPBSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000184554570 510385727 /nfs/dbraw/zinc/38/57/27/510385727.db2.gz XWZMZCXAJYVXBR-PMACEKPBSA-N 1 3 360.546 2.784 20 0 FFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178037471 510393823 /nfs/dbraw/zinc/39/38/23/510393823.db2.gz XUYKMZRCHZXSLG-SOUVJXGZSA-N 1 3 373.339 2.513 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000178038794 510394138 /nfs/dbraw/zinc/39/41/38/510394138.db2.gz UQNXULLSDRYFPG-QGZVFWFLSA-N 1 3 362.518 2.741 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000178038794 510394145 /nfs/dbraw/zinc/39/41/45/510394145.db2.gz UQNXULLSDRYFPG-QGZVFWFLSA-N 1 3 362.518 2.741 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000174939591 510396808 /nfs/dbraw/zinc/39/68/08/510396808.db2.gz XSFWQWVGKZYVSS-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000174939591 510396814 /nfs/dbraw/zinc/39/68/14/510396814.db2.gz XSFWQWVGKZYVSS-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000266110020 510414413 /nfs/dbraw/zinc/41/44/13/510414413.db2.gz USQLSRJLWADNFZ-PXNSSMCTSA-N 1 3 361.530 2.819 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246406620 510472046 /nfs/dbraw/zinc/47/20/46/510472046.db2.gz LLZLMEJKXFGWCE-HNBVOPMISA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246406620 510472050 /nfs/dbraw/zinc/47/20/50/510472050.db2.gz LLZLMEJKXFGWCE-HNBVOPMISA-N 1 3 370.541 2.964 20 0 FFADHO O=C(CN(CCO)C1CCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171973418 510481605 /nfs/dbraw/zinc/48/16/05/510481605.db2.gz DZQZZUCIVONCPM-UHFFFAOYSA-N 1 3 373.541 2.526 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246472545 510508052 /nfs/dbraw/zinc/50/80/52/510508052.db2.gz GBPYSIRRGBHDQC-UZKOGDIHSA-N 1 3 358.526 2.992 20 0 FFADHO Cc1cc(C)cc(OC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246472545 510508059 /nfs/dbraw/zinc/50/80/59/510508059.db2.gz GBPYSIRRGBHDQC-UZKOGDIHSA-N 1 3 358.526 2.992 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000246551595 510550592 /nfs/dbraw/zinc/55/05/92/510550592.db2.gz TXLHWEQBOWHSLL-JRGCBEDISA-N 1 3 351.494 2.898 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000246551595 510550600 /nfs/dbraw/zinc/55/06/00/510550600.db2.gz TXLHWEQBOWHSLL-JRGCBEDISA-N 1 3 351.494 2.898 20 0 FFADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000195132644 510681445 /nfs/dbraw/zinc/68/14/45/510681445.db2.gz KKFFOWKYGPZQDJ-IEBWSBKVSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000195132644 510681449 /nfs/dbraw/zinc/68/14/49/510681449.db2.gz KKFFOWKYGPZQDJ-IEBWSBKVSA-N 1 3 362.481 2.835 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000175623570 510698479 /nfs/dbraw/zinc/69/84/79/510698479.db2.gz UZWFRXZDBUPVEH-UHFFFAOYSA-N 1 3 358.530 2.954 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000266720352 510749515 /nfs/dbraw/zinc/74/95/15/510749515.db2.gz SUQGIOJPCKWVQF-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000266720352 510749519 /nfs/dbraw/zinc/74/95/19/510749519.db2.gz SUQGIOJPCKWVQF-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000246958481 510769635 /nfs/dbraw/zinc/76/96/35/510769635.db2.gz IKPDMBGZGYQKHH-IAGOWNOFSA-N 1 3 367.559 2.757 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000246958481 510769642 /nfs/dbraw/zinc/76/96/42/510769642.db2.gz IKPDMBGZGYQKHH-IAGOWNOFSA-N 1 3 367.559 2.757 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 ZINC000195341680 510791846 /nfs/dbraw/zinc/79/18/46/510791846.db2.gz QDYUXHRYJMYRTE-UHFFFAOYSA-N 1 3 352.429 2.645 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000185294356 510794256 /nfs/dbraw/zinc/79/42/56/510794256.db2.gz ZUGPEQHLELBHHR-UHFFFAOYSA-N 1 3 364.559 2.696 20 0 FFADHO CN1CCCN(c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000195361170 510800259 /nfs/dbraw/zinc/80/02/59/510800259.db2.gz UTIHUWKRIVNYPB-UHFFFAOYSA-N 1 3 356.514 2.641 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(OC)c1 ZINC000247027392 510806153 /nfs/dbraw/zinc/80/61/53/510806153.db2.gz LDGAAFVNMUNHDV-ARFHVFGLSA-N 1 3 363.502 2.883 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000247027392 510806160 /nfs/dbraw/zinc/80/61/60/510806160.db2.gz LDGAAFVNMUNHDV-ARFHVFGLSA-N 1 3 363.502 2.883 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000247031838 510810276 /nfs/dbraw/zinc/81/02/76/510810276.db2.gz DVFTWHPSVPIVTO-HZPDHXFCSA-N 1 3 350.532 2.526 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000247031838 510810282 /nfs/dbraw/zinc/81/02/82/510810282.db2.gz DVFTWHPSVPIVTO-HZPDHXFCSA-N 1 3 350.532 2.526 20 0 FFADHO CCCN1CCC(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185351278 510818676 /nfs/dbraw/zinc/81/86/76/510818676.db2.gz VNQIATCMKFQMDU-QGZVFWFLSA-N 1 3 352.544 2.869 20 0 FFADHO CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000182238904 510828795 /nfs/dbraw/zinc/82/87/95/510828795.db2.gz YUOLUAWQXDUIFA-MOPGFXCFSA-N 1 3 350.528 2.728 20 0 FFADHO CCN1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000247096373 510833085 /nfs/dbraw/zinc/83/30/85/510833085.db2.gz OJCMETVORJGNCP-RXVVDRJESA-N 1 3 357.542 2.788 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCN(C)C2CC2)CC1 ZINC000185402938 510835869 /nfs/dbraw/zinc/83/58/69/510835869.db2.gz NNHLKOAASVRSRX-QGZVFWFLSA-N 1 3 358.530 2.948 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000247120563 510839841 /nfs/dbraw/zinc/83/98/41/510839841.db2.gz PROPMTDSEMZXEI-BMGDILEWSA-N 1 3 353.532 2.972 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000247129000 510841696 /nfs/dbraw/zinc/84/16/96/510841696.db2.gz VGXPIMZJFWUYRZ-YGFZKVPJSA-N 1 3 352.544 2.964 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000247128941 510841756 /nfs/dbraw/zinc/84/17/56/510841756.db2.gz VGXPIMZJFWUYRZ-AKVMLJAXSA-N 1 3 352.544 2.964 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247221888 510852755 /nfs/dbraw/zinc/85/27/55/510852755.db2.gz NEMYLUVRPULQKP-KURKYZTESA-N 1 3 352.567 2.726 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247275703 510855066 /nfs/dbraw/zinc/85/50/66/510855066.db2.gz KCGPZRFYMNAYBV-LEWJYISDSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247275703 510855067 /nfs/dbraw/zinc/85/50/67/510855067.db2.gz KCGPZRFYMNAYBV-LEWJYISDSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC[C@H]21 ZINC000247425580 510860567 /nfs/dbraw/zinc/86/05/67/510860567.db2.gz ZKZNMHKTWUKRBB-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC[C@H]21 ZINC000247425580 510860568 /nfs/dbraw/zinc/86/05/68/510860568.db2.gz ZKZNMHKTWUKRBB-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1(C)C ZINC000282246882 510900866 /nfs/dbraw/zinc/90/08/66/510900866.db2.gz GJJDICPAKNTJIR-UHFFFAOYSA-N 1 3 359.436 2.743 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000360669183 510933226 /nfs/dbraw/zinc/93/32/26/510933226.db2.gz BKJGWNRRNDFUCC-HBMCJLEFSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000360669183 510933231 /nfs/dbraw/zinc/93/32/31/510933231.db2.gz BKJGWNRRNDFUCC-HBMCJLEFSA-N 1 3 370.541 2.634 20 0 FFADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)nn1C ZINC000282355754 510943578 /nfs/dbraw/zinc/94/35/78/510943578.db2.gz VXLLLQSBFSALOT-NQIIRXRSSA-N 1 3 355.530 2.758 20 0 FFADHO C[C@H]1C[NH+](CC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000360927868 510967226 /nfs/dbraw/zinc/96/72/26/510967226.db2.gz POUIXMPWAAPFAW-ROUUACIJSA-N 1 3 373.541 2.710 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000294156467 510975464 /nfs/dbraw/zinc/97/54/64/510975464.db2.gz RKPYWGKRFQCKAD-PZJWPPBQSA-N 1 3 373.541 2.691 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000297542900 510985183 /nfs/dbraw/zinc/98/51/83/510985183.db2.gz OXBFVFZPAMCTAK-ZNXRZULTSA-N 1 3 360.502 2.511 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000297542900 510985188 /nfs/dbraw/zinc/98/51/88/510985188.db2.gz OXBFVFZPAMCTAK-ZNXRZULTSA-N 1 3 360.502 2.511 20 0 FFADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285663614 511001797 /nfs/dbraw/zinc/00/17/97/511001797.db2.gz MZXPECSEVUQIGY-HNNXBMFYSA-N 1 3 369.465 2.809 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271241816 511135088 /nfs/dbraw/zinc/13/50/88/511135088.db2.gz AKMGGBURJDQWDK-FUPPJEDESA-N 1 3 370.585 2.751 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271241816 511135091 /nfs/dbraw/zinc/13/50/91/511135091.db2.gz AKMGGBURJDQWDK-FUPPJEDESA-N 1 3 370.585 2.751 20 0 FFADHO CN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282887678 511149259 /nfs/dbraw/zinc/14/92/59/511149259.db2.gz XBAKRMUJWCOYBL-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282887678 511149265 /nfs/dbraw/zinc/14/92/65/511149265.db2.gz XBAKRMUJWCOYBL-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO O=C1OCCN1c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000291409807 511186844 /nfs/dbraw/zinc/18/68/44/511186844.db2.gz GEPKUPCNMGRWJC-UHFFFAOYSA-N 1 3 352.438 2.797 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000364980236 511189062 /nfs/dbraw/zinc/18/90/62/511189062.db2.gz ZMBHPTBLRUOUCF-CPUCHLNUSA-N 1 3 371.403 2.635 20 0 FFADHO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000365035412 511218630 /nfs/dbraw/zinc/21/86/30/511218630.db2.gz BIYUMHFNQWKUAA-FPOVZHCZSA-N 1 3 369.484 2.724 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000294937368 511228099 /nfs/dbraw/zinc/22/80/99/511228099.db2.gz GPTXFYZIFHZYRK-WZYMTQMTSA-N 1 3 361.486 2.636 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000294937368 511228102 /nfs/dbraw/zinc/22/81/02/511228102.db2.gz GPTXFYZIFHZYRK-WZYMTQMTSA-N 1 3 361.486 2.636 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)C2)C1 ZINC000291659740 511285908 /nfs/dbraw/zinc/28/59/08/511285908.db2.gz LHQJVWLYOVSRTH-APWZRJJASA-N 1 3 362.543 2.622 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)C2)C1 ZINC000291659740 511285913 /nfs/dbraw/zinc/28/59/13/511285913.db2.gz LHQJVWLYOVSRTH-APWZRJJASA-N 1 3 362.543 2.622 20 0 FFADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000333656425 511314430 /nfs/dbraw/zinc/31/44/30/511314430.db2.gz KTKBEUYPKJTOBS-SJBKTWHCSA-N 1 3 370.541 2.812 20 0 FFADHO COc1cccc(N2CC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)c1 ZINC000298563183 511329525 /nfs/dbraw/zinc/32/95/25/511329525.db2.gz WDMIHIHFVDAPCK-SFHVURJKSA-N 1 3 352.482 2.928 20 0 FFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cccc(Br)c1F ZINC000295228645 511329706 /nfs/dbraw/zinc/32/97/06/511329706.db2.gz RRDUWOOCYODAPD-CQSZACIVSA-N 1 3 359.283 2.915 20 0 FFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cccc(Br)c1F ZINC000295228645 511329708 /nfs/dbraw/zinc/32/97/08/511329708.db2.gz RRDUWOOCYODAPD-CQSZACIVSA-N 1 3 359.283 2.915 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000363062742 511330074 /nfs/dbraw/zinc/33/00/74/511330074.db2.gz NTKCCVVIDGOAPQ-LJQANCHMSA-N 1 3 365.562 2.792 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000363062742 511330078 /nfs/dbraw/zinc/33/00/78/511330078.db2.gz NTKCCVVIDGOAPQ-LJQANCHMSA-N 1 3 365.562 2.792 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)[C@H]2C1 ZINC000272273420 511487902 /nfs/dbraw/zinc/48/79/02/511487902.db2.gz AHIUTSXTLVGSCI-XLIONFOSSA-N 1 3 356.514 2.518 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)[C@@H](C)C1 ZINC000299396383 511620176 /nfs/dbraw/zinc/62/01/76/511620176.db2.gz RWKRQLQJHHFWKR-XKGZKEIXSA-N 1 3 359.514 2.667 20 0 FFADHO CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000284283188 511667852 /nfs/dbraw/zinc/66/78/52/511667852.db2.gz XMKVZHNDZUXCBP-RTBURBONSA-N 1 3 350.528 2.728 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000281442376 511849135 /nfs/dbraw/zinc/84/91/35/511849135.db2.gz FFMKKGKBCPIIOL-MRXNPFEDSA-N 1 3 350.507 2.616 20 0 FFADHO OC[C@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000293224191 511887085 /nfs/dbraw/zinc/88/70/85/511887085.db2.gz RVGMFVLCPJIZDD-PMACEKPBSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000293224191 511887091 /nfs/dbraw/zinc/88/70/91/511887091.db2.gz RVGMFVLCPJIZDD-PMACEKPBSA-N 1 3 360.542 2.875 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364082602 511948099 /nfs/dbraw/zinc/94/80/99/511948099.db2.gz FVQNKHDBVCGOER-RLLQIKCJSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364082602 511948107 /nfs/dbraw/zinc/94/81/07/511948107.db2.gz FVQNKHDBVCGOER-RLLQIKCJSA-N 1 3 359.489 2.781 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000297106988 512022908 /nfs/dbraw/zinc/02/29/08/512022908.db2.gz QQILIFSHVUHHHN-VWWARQNISA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000297106988 512022909 /nfs/dbraw/zinc/02/29/09/512022909.db2.gz QQILIFSHVUHHHN-VWWARQNISA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H](C(=O)N1CCC([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000364238549 512038143 /nfs/dbraw/zinc/03/81/43/512038143.db2.gz KCFJYTFEFWCOKO-GOSISDBHSA-N 1 3 357.542 2.882 20 0 FFADHO Cn1cc(-c2ccc(CNCc3ccnc(OCC[NH+](C)C)c3)s2)cn1 ZINC000282153178 512090164 /nfs/dbraw/zinc/09/01/64/512090164.db2.gz CCCPKFWQCDPMAV-UHFFFAOYSA-N 1 3 371.510 2.774 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371741522 512551182 /nfs/dbraw/zinc/55/11/82/512551182.db2.gz LYQTYQUGTYNUJU-IAGOWNOFSA-N 1 3 362.543 2.765 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000371741522 512551185 /nfs/dbraw/zinc/55/11/85/512551185.db2.gz LYQTYQUGTYNUJU-IAGOWNOFSA-N 1 3 362.543 2.765 20 0 FFADHO c1cc(CN2CCC[C@H]2CN2CCOCC2)cc(C[NH+]2CCCCC2)c1 ZINC000411289651 512564981 /nfs/dbraw/zinc/56/49/81/512564981.db2.gz FUSJUYWVSVQMOU-QFIPXVFZSA-N 1 3 357.542 2.969 20 0 FFADHO CCCNC(=O)CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000411307031 512573348 /nfs/dbraw/zinc/57/33/48/512573348.db2.gz GRRRYZRXJSOOMU-ROUUACIJSA-N 1 3 353.551 2.504 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[C@H]2CCC[C@@H]21 ZINC000367746736 512644988 /nfs/dbraw/zinc/64/49/88/512644988.db2.gz OVSYUZNLFKFXCQ-WOZUAGRISA-N 1 3 371.525 2.558 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000374077337 512651541 /nfs/dbraw/zinc/65/15/41/512651541.db2.gz JCGHJOFCBLAZCF-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000374077337 512651544 /nfs/dbraw/zinc/65/15/44/512651544.db2.gz JCGHJOFCBLAZCF-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H]3C3CCCCC3)CC2)CC1 ZINC000374120481 512667720 /nfs/dbraw/zinc/66/77/20/512667720.db2.gz PCEDWSIQHJNMGQ-UXHICEINSA-N 1 3 362.562 2.813 20 0 FFADHO Cc1cccc(NC[C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000374204698 512706346 /nfs/dbraw/zinc/70/63/46/512706346.db2.gz LEQBKJINEINYIH-HXUWFJFHSA-N 1 3 359.562 2.682 20 0 FFADHO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000374204698 512706349 /nfs/dbraw/zinc/70/63/49/512706349.db2.gz LEQBKJINEINYIH-HXUWFJFHSA-N 1 3 359.562 2.682 20 0 FFADHO CCO[C@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000411633601 512728615 /nfs/dbraw/zinc/72/86/15/512728615.db2.gz SLNROTGOIFIZIK-MOPGFXCFSA-N 1 3 365.562 2.693 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000411716618 512777489 /nfs/dbraw/zinc/77/74/89/512777489.db2.gz FRALDMUIHLUUKN-LEWJYISDSA-N 1 3 373.541 2.703 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1CC[NH+](C)CC1 ZINC000370129077 512782774 /nfs/dbraw/zinc/78/27/74/512782774.db2.gz KUWIRTHRMNCXFL-FXAWDEMLSA-N 1 3 358.530 2.538 20 0 FFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388387104 512894702 /nfs/dbraw/zinc/89/47/02/512894702.db2.gz HZLKFPWKCYKNBJ-VABKMULXSA-N 1 3 367.537 2.514 20 0 FFADHO [NH3+]CC1(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCCCC1 ZINC000391005821 512914123 /nfs/dbraw/zinc/91/41/23/512914123.db2.gz HQJAPXLVEVVKDJ-FQEVSTJZSA-N 1 3 373.541 2.693 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000368403083 512931955 /nfs/dbraw/zinc/93/19/55/512931955.db2.gz QFMDSILRROSBCY-XLIONFOSSA-N 1 3 373.541 2.790 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000368403083 512931958 /nfs/dbraw/zinc/93/19/58/512931958.db2.gz QFMDSILRROSBCY-XLIONFOSSA-N 1 3 373.541 2.790 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000368429715 512945465 /nfs/dbraw/zinc/94/54/65/512945465.db2.gz PVSYIKJBMLTBLZ-NHCUHLMSSA-N 1 3 355.526 2.889 20 0 FFADHO COCc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397493493 512946386 /nfs/dbraw/zinc/94/63/86/512946386.db2.gz NJKVAXATNYALFD-UHFFFAOYSA-N 1 3 354.494 2.950 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000397964251 512950570 /nfs/dbraw/zinc/95/05/70/512950570.db2.gz ANSUCWUPNIRNNS-ZPMCFJSWSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000397964251 512950574 /nfs/dbraw/zinc/95/05/74/512950574.db2.gz ANSUCWUPNIRNNS-ZPMCFJSWSA-N 1 3 363.505 2.900 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398100878 512953782 /nfs/dbraw/zinc/95/37/82/512953782.db2.gz ZDRQKQLXESHIRN-XLIONFOSSA-N 1 3 351.494 2.841 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398100879 512954064 /nfs/dbraw/zinc/95/40/64/512954064.db2.gz ZDRQKQLXESHIRN-YLJYHZDGSA-N 1 3 351.494 2.841 20 0 FFADHO CN1CCC(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374912883 513068986 /nfs/dbraw/zinc/06/89/86/513068986.db2.gz GBVASMSRVIJHKV-PCCBWWKXSA-N 1 3 355.526 2.745 20 0 FFADHO CN1CCC(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374912883 513068990 /nfs/dbraw/zinc/06/89/90/513068990.db2.gz GBVASMSRVIJHKV-PCCBWWKXSA-N 1 3 355.526 2.745 20 0 FFADHO O=C(c1cccn1C1CC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000370767343 513090770 /nfs/dbraw/zinc/09/07/70/513090770.db2.gz TYYKXBZADHCZHP-UHFFFAOYSA-N 1 3 358.530 2.751 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417684114 513159020 /nfs/dbraw/zinc/15/90/20/513159020.db2.gz NLGNJQCVSJPAOB-FUHIMQAGSA-N 1 3 372.557 2.838 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000424479085 513162514 /nfs/dbraw/zinc/16/25/14/513162514.db2.gz NVTRYMMQCUSESD-ZACQAIPSSA-N 1 3 350.532 2.580 20 0 FFADHO COC[C@@H]1CC[N@@H+](Cc2ccc(F)c(CN3CC[C@H](COC)C3)c2)C1 ZINC000450427491 513190049 /nfs/dbraw/zinc/19/00/49/513190049.db2.gz FPOYWFZKTNBKAV-MSOLQXFVSA-N 1 3 350.478 2.762 20 0 FFADHO COC[C@@H]1CC[N@H+](Cc2ccc(F)c(CN3CC[C@H](COC)C3)c2)C1 ZINC000450427491 513190055 /nfs/dbraw/zinc/19/00/55/513190055.db2.gz FPOYWFZKTNBKAV-MSOLQXFVSA-N 1 3 350.478 2.762 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[NH2+]C2CC2)[C@@H]1c1cccs1 ZINC000417741021 513190629 /nfs/dbraw/zinc/19/06/29/513190629.db2.gz SRCZZRGCHTUZNH-RHSMWYFYSA-N 1 3 350.532 2.572 20 0 FFADHO C[NH2+]CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417751650 513195903 /nfs/dbraw/zinc/19/59/03/513195903.db2.gz ZFRORTHRIPEJMP-GDBMZVCRSA-N 1 3 372.435 2.607 20 0 FFADHO O=C(NCCCNCc1cccnc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417806636 513216263 /nfs/dbraw/zinc/21/62/63/513216263.db2.gz IVTDYHUDYUZSGT-UHFFFAOYSA-N 1 3 373.545 2.658 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000417849463 513235892 /nfs/dbraw/zinc/23/58/92/513235892.db2.gz WNSDKDAULCGOTL-UYAOXDASSA-N 1 3 370.541 2.825 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000446361416 513244936 /nfs/dbraw/zinc/24/49/36/513244936.db2.gz BQTJOAHLJVHMMG-YQQAZPJKSA-N 1 3 369.431 2.814 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000429133123 513286387 /nfs/dbraw/zinc/28/63/87/513286387.db2.gz GATYRKLJNHXBKC-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO CN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000446613533 513296077 /nfs/dbraw/zinc/29/60/77/513296077.db2.gz GTFSNWOXYDJCDV-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1OC ZINC000429299968 513333794 /nfs/dbraw/zinc/33/37/94/513333794.db2.gz HRJHYKWIEFGBAD-IPMKNSEASA-N 1 3 361.530 2.589 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418030766 513343318 /nfs/dbraw/zinc/34/33/18/513343318.db2.gz KACQGMCDZKHTRQ-IHPCNDPISA-N 1 3 360.546 2.830 20 0 FFADHO C[C@]1(CNC(=O)NCCC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000418037528 513346120 /nfs/dbraw/zinc/34/61/20/513346120.db2.gz DKCZXPAHBYPKIQ-TZIWHRDSSA-N 1 3 358.530 2.873 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418040698 513348902 /nfs/dbraw/zinc/34/89/02/513348902.db2.gz JKYZGFYTTPDDLU-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000421678925 513366158 /nfs/dbraw/zinc/36/61/58/513366158.db2.gz FPVMIEZOTPKANZ-NEXFUWMNSA-N 1 3 363.468 2.884 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418093703 513368898 /nfs/dbraw/zinc/36/88/98/513368898.db2.gz CFTLEXLRAZNRMS-KURKYZTESA-N 1 3 350.551 2.671 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418108500 513374445 /nfs/dbraw/zinc/37/44/45/513374445.db2.gz RRIYVXUDJPGZGZ-NFOMZHRRSA-N 1 3 364.456 2.608 20 0 FFADHO N[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000418113106 513376306 /nfs/dbraw/zinc/37/63/06/513376306.db2.gz ZOOCNZFQIDBUOZ-UYAOXDASSA-N 1 3 352.482 2.508 20 0 FFADHO N[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000418113106 513376309 /nfs/dbraw/zinc/37/63/09/513376309.db2.gz ZOOCNZFQIDBUOZ-UYAOXDASSA-N 1 3 352.482 2.508 20 0 FFADHO N[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000418113105 513376702 /nfs/dbraw/zinc/37/67/02/513376702.db2.gz ZOOCNZFQIDBUOZ-QUCCMNQESA-N 1 3 352.482 2.508 20 0 FFADHO N[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000418113105 513376705 /nfs/dbraw/zinc/37/67/05/513376705.db2.gz ZOOCNZFQIDBUOZ-QUCCMNQESA-N 1 3 352.482 2.508 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418133835 513385505 /nfs/dbraw/zinc/38/55/05/513385505.db2.gz GLTAAXHQERYFQD-UXHICEINSA-N 1 3 358.530 2.728 20 0 FFADHO CCCN(C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000418144586 513389723 /nfs/dbraw/zinc/38/97/23/513389723.db2.gz NLYBDEHLWVLTMY-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000418148125 513391316 /nfs/dbraw/zinc/39/13/16/513391316.db2.gz QUXJDKULEYENDR-NSISKUIASA-N 1 3 358.530 2.523 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000418148163 513391689 /nfs/dbraw/zinc/39/16/89/513391689.db2.gz RAFDKVKXSJTOJG-UNMCSNQZSA-N 1 3 370.541 2.682 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000440720664 513392987 /nfs/dbraw/zinc/39/29/87/513392987.db2.gz XYKFWVOCHSNBMW-ILZDJORESA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000418155022 513394747 /nfs/dbraw/zinc/39/47/47/513394747.db2.gz WHBHZWVVHQPLIR-UZLBHIALSA-N 1 3 358.530 2.666 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418158512 513396701 /nfs/dbraw/zinc/39/67/01/513396701.db2.gz PXWKMKRUBIENMT-DENIHFKCSA-N 1 3 370.541 2.682 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418159922 513397896 /nfs/dbraw/zinc/39/78/96/513397896.db2.gz RPVCMINRSRQHSL-SFHVURJKSA-N 1 3 360.546 2.913 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418165596 513400259 /nfs/dbraw/zinc/40/02/59/513400259.db2.gz YKMGBBLDGYQCBM-PMACEKPBSA-N 1 3 370.541 2.823 20 0 FFADHO COC(=O)CC1(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000440772206 513402638 /nfs/dbraw/zinc/40/26/38/513402638.db2.gz BALGHQIXPPLLAS-CALCHBBNSA-N 1 3 352.519 2.541 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccco1 ZINC000418172348 513404968 /nfs/dbraw/zinc/40/49/68/513404968.db2.gz WSLWIOJVWINIPU-QBPKDAKJSA-N 1 3 350.507 2.773 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)C)cc1 ZINC000418232231 513433116 /nfs/dbraw/zinc/43/31/16/513433116.db2.gz MKNSWVJEDVGCBY-MRXNPFEDSA-N 1 3 352.548 2.638 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000418284708 513451782 /nfs/dbraw/zinc/45/17/82/513451782.db2.gz NEMNHZOSLURVEN-GOSISDBHSA-N 1 3 362.518 2.649 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000415888560 513463882 /nfs/dbraw/zinc/46/38/82/513463882.db2.gz ABCUKQSPNZMZNP-FQEVSTJZSA-N 1 3 368.481 2.765 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418334542 513468448 /nfs/dbraw/zinc/46/84/48/513468448.db2.gz GGYVPUOTZDYIBO-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418355145 513480688 /nfs/dbraw/zinc/48/06/88/513480688.db2.gz WKUDCASKPMHISV-LJQANCHMSA-N 1 3 373.545 2.719 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000415940878 513490037 /nfs/dbraw/zinc/49/00/37/513490037.db2.gz DZBHSZKTNWAROU-UHFFFAOYSA-N 1 3 362.518 2.807 20 0 FFADHO CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000418399825 513495977 /nfs/dbraw/zinc/49/59/77/513495977.db2.gz FCOYPOTUZHYFDQ-UYAOXDASSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000415951863 513497393 /nfs/dbraw/zinc/49/73/93/513497393.db2.gz JOSTXQFIXBNEHX-NSHDSACASA-N 1 3 356.392 2.936 20 0 FFADHO COc1cc2nccc(NC3CC[NH+](CCOC(C)C)CC3)c2cc1OC ZINC000413175338 513500695 /nfs/dbraw/zinc/50/06/95/513500695.db2.gz FOBWIOTWNOJCRI-UHFFFAOYSA-N 1 3 373.497 2.975 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000418431665 513506334 /nfs/dbraw/zinc/50/63/34/513506334.db2.gz SSLBFZNMHKOYPK-PVAVHDDUSA-N 1 3 352.910 2.759 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000415968472 513506472 /nfs/dbraw/zinc/50/64/72/513506472.db2.gz DCHHOHZXOXAYKW-UHFFFAOYSA-N 1 3 362.543 2.889 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418430591 513507190 /nfs/dbraw/zinc/50/71/90/513507190.db2.gz PKGMALROXQJLRR-FPOVZHCZSA-N 1 3 366.509 2.850 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418430591 513507197 /nfs/dbraw/zinc/50/71/97/513507197.db2.gz PKGMALROXQJLRR-FPOVZHCZSA-N 1 3 366.509 2.850 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)o1 ZINC000418457119 513519393 /nfs/dbraw/zinc/51/93/93/513519393.db2.gz GNGNKCUDRBIFHG-INIZCTEOSA-N 1 3 358.486 2.881 20 0 FFADHO NCc1cccnc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000415993964 513525172 /nfs/dbraw/zinc/52/51/72/513525172.db2.gz GRHKBRRUXSYUHH-UHFFFAOYSA-N 1 3 353.470 2.574 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000430030842 513531632 /nfs/dbraw/zinc/53/16/32/513531632.db2.gz WLDSZQIZLWFRQM-CTNGQTDRSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000430030842 513531637 /nfs/dbraw/zinc/53/16/37/513531637.db2.gz WLDSZQIZLWFRQM-CTNGQTDRSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503647 513537117 /nfs/dbraw/zinc/53/71/17/513537117.db2.gz YTBGKEVVIYYORK-PMACEKPBSA-N 1 3 354.498 2.964 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503647 513537122 /nfs/dbraw/zinc/53/71/22/513537122.db2.gz YTBGKEVVIYYORK-PMACEKPBSA-N 1 3 354.498 2.964 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418509774 513537626 /nfs/dbraw/zinc/53/76/26/513537626.db2.gz AOXXILYBJQXLEG-HXUWFJFHSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@]1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)CCC[NH2+]C1 ZINC000418541558 513549548 /nfs/dbraw/zinc/54/95/48/513549548.db2.gz NOAMNWCBFJESDX-VWPQPMDRSA-N 1 3 370.541 2.540 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418590396 513568399 /nfs/dbraw/zinc/56/83/99/513568399.db2.gz BMSKGMNMONITFC-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418591766 513569366 /nfs/dbraw/zinc/56/93/66/513569366.db2.gz NYRCSHVZZCDWFW-NQIIRXRSSA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418591768 513569809 /nfs/dbraw/zinc/56/98/09/513569809.db2.gz NYRCSHVZZCDWFW-WIYYLYMNSA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCN1C(=O)c2ccccc2C1=O ZINC000447820692 513582750 /nfs/dbraw/zinc/58/27/50/513582750.db2.gz ICNSMIROQRAPAM-LPHOPBHVSA-N 1 3 357.498 2.773 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418648443 513591563 /nfs/dbraw/zinc/59/15/63/513591563.db2.gz ZJVGVFGPLQTLQO-QUCCMNQESA-N 1 3 356.514 2.533 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663405 513600512 /nfs/dbraw/zinc/60/05/12/513600512.db2.gz WXWPMKSTOTVDRY-RBUKOAKNSA-N 1 3 358.530 2.584 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663589 513600779 /nfs/dbraw/zinc/60/07/79/513600779.db2.gz XWSODHBVHVPIBZ-RBUKOAKNSA-N 1 3 350.551 2.528 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418664203 513601761 /nfs/dbraw/zinc/60/17/61/513601761.db2.gz IKUOKLJQOBBZJE-QAQDUYKDSA-N 1 3 364.509 2.664 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418672161 513605285 /nfs/dbraw/zinc/60/52/85/513605285.db2.gz SZMGVLLIZWPQBT-MEMLXQNLSA-N 1 3 374.573 2.958 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418702825 513617911 /nfs/dbraw/zinc/61/79/11/513617911.db2.gz QNWNEEGGONGQNQ-RLLQIKCJSA-N 1 3 358.530 2.667 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416171025 513619378 /nfs/dbraw/zinc/61/93/78/513619378.db2.gz NQBIUSVIFHHCPG-IBGZPJMESA-N 1 3 355.526 2.625 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416171025 513619384 /nfs/dbraw/zinc/61/93/84/513619384.db2.gz NQBIUSVIFHHCPG-IBGZPJMESA-N 1 3 355.526 2.625 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416171760 513620633 /nfs/dbraw/zinc/62/06/33/513620633.db2.gz RXORLBZHDFRLFG-PMACEKPBSA-N 1 3 361.530 2.639 20 0 FFADHO CN1C[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000416184270 513631275 /nfs/dbraw/zinc/63/12/75/513631275.db2.gz NLRJIEWUHLHONK-VXKWHMMOSA-N 1 3 363.505 2.649 20 0 FFADHO CN1C[C@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000416184270 513631284 /nfs/dbraw/zinc/63/12/84/513631284.db2.gz NLRJIEWUHLHONK-VXKWHMMOSA-N 1 3 363.505 2.649 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000418745992 513636220 /nfs/dbraw/zinc/63/62/20/513636220.db2.gz WSNONYFIJGXDAS-RBUKOAKNSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418757281 513643018 /nfs/dbraw/zinc/64/30/18/513643018.db2.gz YTEIKNTXIOLFKQ-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000447982705 513646618 /nfs/dbraw/zinc/64/66/18/513646618.db2.gz MOESKDUPDFCZTF-SFHVURJKSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000418786442 513657058 /nfs/dbraw/zinc/65/70/58/513657058.db2.gz ICEAUNTUTFQODH-CWJKEVGVSA-N 1 3 370.541 2.681 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425639992 513674049 /nfs/dbraw/zinc/67/40/49/513674049.db2.gz OWUSVZKLLABDQM-LEWJYISDSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000435753800 513677656 /nfs/dbraw/zinc/67/76/56/513677656.db2.gz SWWHHKKZAYDXRH-RXVVDRJESA-N 1 3 357.542 2.930 20 0 FFADHO C[C@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000435753799 513677796 /nfs/dbraw/zinc/67/77/96/513677796.db2.gz SWWHHKKZAYDXRH-NQIIRXRSSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425671623 513692214 /nfs/dbraw/zinc/69/22/14/513692214.db2.gz IOZDQGLBZCLXFR-YTQUADARSA-N 1 3 358.530 2.851 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430682717 513721125 /nfs/dbraw/zinc/72/11/25/513721125.db2.gz UJZCLJYQICTFQG-PMACEKPBSA-N 1 3 359.514 2.880 20 0 FFADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430698188 513726240 /nfs/dbraw/zinc/72/62/40/513726240.db2.gz COFKYXBMHSEXQR-NRSPTQNISA-N 1 3 371.525 2.698 20 0 FFADHO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000442610496 513744893 /nfs/dbraw/zinc/74/48/93/513744893.db2.gz PJBIZYOAQISEKQ-LJQANCHMSA-N 1 3 360.546 2.688 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430773044 513745671 /nfs/dbraw/zinc/74/56/71/513745671.db2.gz PQPOAUMURGTTCM-IBGZPJMESA-N 1 3 356.514 2.984 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000430913636 513779961 /nfs/dbraw/zinc/77/99/61/513779961.db2.gz WVNVKCNHWUUUBB-UXHICEINSA-N 1 3 361.530 2.583 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000425940976 513803584 /nfs/dbraw/zinc/80/35/84/513803584.db2.gz CKWBDHCKCZYIMP-HOTGVXAUSA-N 1 3 355.548 2.565 20 0 FFADHO C[C@@H]1C[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)C(=O)N1c1ccccc1 ZINC000436471495 513864018 /nfs/dbraw/zinc/86/40/18/513864018.db2.gz UHNMQAOQCGSFID-OXQOHEQNSA-N 1 3 350.466 2.834 20 0 FFADHO CN1CC=C(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000443125232 513879795 /nfs/dbraw/zinc/87/97/95/513879795.db2.gz DWCUUZKXDSGUGG-IFMALSPDSA-N 1 3 353.510 2.667 20 0 FFADHO CN1CC=C(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000443125232 513879802 /nfs/dbraw/zinc/87/98/02/513879802.db2.gz DWCUUZKXDSGUGG-IFMALSPDSA-N 1 3 353.510 2.667 20 0 FFADHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c(OC)c1OC ZINC000422703985 513906294 /nfs/dbraw/zinc/90/62/94/513906294.db2.gz OJQCCKJCHMTACR-MAUKXSAKSA-N 1 3 358.482 2.803 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422720346 513912933 /nfs/dbraw/zinc/91/29/33/513912933.db2.gz ZFVHPDAPNXHQNH-XUVXKRRUSA-N 1 3 364.555 2.892 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426366293 513916275 /nfs/dbraw/zinc/91/62/75/513916275.db2.gz OYGCSCXLKCIMTI-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO CCOc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OCC ZINC000422755513 513922409 /nfs/dbraw/zinc/92/24/09/513922409.db2.gz IDYFCJVBISJSAB-GUDVDZBRSA-N 1 3 362.514 2.773 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422758608 513924725 /nfs/dbraw/zinc/92/47/25/513924725.db2.gz KMLINUAZLZHBOL-OTNPHJDUSA-N 1 3 361.530 2.564 20 0 FFADHO CN(CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422766246 513925547 /nfs/dbraw/zinc/92/55/47/513925547.db2.gz RBXKDFSJMCPHQJ-IRLDBZIGSA-N 1 3 351.494 2.964 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000422773742 513929423 /nfs/dbraw/zinc/92/94/23/513929423.db2.gz UXFAYOSHXHMDQG-PGRDOPGGSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000422773742 513929428 /nfs/dbraw/zinc/92/94/28/513929428.db2.gz UXFAYOSHXHMDQG-PGRDOPGGSA-N 1 3 353.510 2.567 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2cnccc2c1 ZINC000448853642 513934073 /nfs/dbraw/zinc/93/40/73/513934073.db2.gz QAJFKBNQHQCJHQ-HXUWFJFHSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2cnccc2c1 ZINC000448853642 513934082 /nfs/dbraw/zinc/93/40/82/513934082.db2.gz QAJFKBNQHQCJHQ-HXUWFJFHSA-N 1 3 354.498 2.723 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2c(F)cccc2OC)CC[NH2+]CC1 ZINC000422795967 513935182 /nfs/dbraw/zinc/93/51/82/513935182.db2.gz XCEHNSJQCHIWLI-UONOGXRCSA-N 1 3 352.450 2.806 20 0 FFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422803731 513937978 /nfs/dbraw/zinc/93/79/78/513937978.db2.gz GJWJCLYIYHFEEX-CLAROIROSA-N 1 3 357.542 2.570 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832225 513946384 /nfs/dbraw/zinc/94/63/84/513946384.db2.gz KVNOXAFDIYVKPB-PBHICJAKSA-N 1 3 366.431 3.451 20 0 FFADHO FC(F)(F)CN1CCC(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422856386 513953960 /nfs/dbraw/zinc/95/39/60/513953960.db2.gz FEYNWTSWJDYLLZ-AEFFLSMTSA-N 1 3 369.431 2.859 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000422856786 513954258 /nfs/dbraw/zinc/95/42/58/513954258.db2.gz GLSGMNMOORIHJY-MSOLQXFVSA-N 1 3 367.541 2.710 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422863584 513957162 /nfs/dbraw/zinc/95/71/62/513957162.db2.gz SDOUIYWCPHTLHL-CJNGLKHVSA-N 1 3 368.319 2.547 20 0 FFADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422877222 513960961 /nfs/dbraw/zinc/96/09/61/513960961.db2.gz HKWWTZZIFNAPLQ-APWZRJJASA-N 1 3 365.949 2.909 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416778391 513962426 /nfs/dbraw/zinc/96/24/26/513962426.db2.gz AJKGWDUPJLKBHG-RTWAWAEBSA-N 1 3 370.541 2.997 20 0 FFADHO Brc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000422889146 513964446 /nfs/dbraw/zinc/96/44/46/513964446.db2.gz FHQBTJXHCKQDCA-UHFFFAOYSA-N 1 3 352.320 2.755 20 0 FFADHO Brc1ccc(CN2CCC(NC3CC[NH2+]CC3)CC2)cc1 ZINC000422889146 513964451 /nfs/dbraw/zinc/96/44/51/513964451.db2.gz FHQBTJXHCKQDCA-UHFFFAOYSA-N 1 3 352.320 2.755 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000416818985 513981361 /nfs/dbraw/zinc/98/13/61/513981361.db2.gz JBMYFMLWDAFQBD-POAQFYNOSA-N 1 3 374.529 2.649 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000416823182 513982630 /nfs/dbraw/zinc/98/26/30/513982630.db2.gz NVIPDVWJNICWQA-IHPCNDPISA-N 1 3 374.529 2.649 20 0 FFADHO Cc1ccc(NC(=O)COc2ccc(CCN[C@H](C)C3C[NH2+]C3)cc2)cc1 ZINC000422938774 513983338 /nfs/dbraw/zinc/98/33/38/513983338.db2.gz PYWDKROXASSUOA-QGZVFWFLSA-N 1 3 367.493 2.753 20 0 FFADHO Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H](C)C3CNC3)cc2)cc1 ZINC000422938774 513983345 /nfs/dbraw/zinc/98/33/45/513983345.db2.gz PYWDKROXASSUOA-QGZVFWFLSA-N 1 3 367.493 2.753 20 0 FFADHO O=C(CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000422947846 513987787 /nfs/dbraw/zinc/98/77/87/513987787.db2.gz QOCTVDMRUCIOBF-KZNAEPCWSA-N 1 3 365.905 2.805 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCOc3c(F)cccc32)CC[NH2+]CC1 ZINC000422959881 513992805 /nfs/dbraw/zinc/99/28/05/513992805.db2.gz AGHHUFVAQGASDH-CZUORRHYSA-N 1 3 350.434 2.560 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N[C@H](C)CCCC[NH3+])N2CCCC2)c1 ZINC000416840149 513995622 /nfs/dbraw/zinc/99/56/22/513995622.db2.gz DZSQKVRSFFWNMI-VQIMIIECSA-N 1 3 362.518 2.649 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000416842118 513996461 /nfs/dbraw/zinc/99/64/61/513996461.db2.gz MRCWBOAIZRLYPI-GOEBONIOSA-N 1 3 350.532 2.654 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000416841694 513996690 /nfs/dbraw/zinc/99/66/90/513996690.db2.gz MJVGFAHFWYOONV-JYJNAYRXSA-N 1 3 350.532 2.654 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422992274 514001706 /nfs/dbraw/zinc/00/17/06/514001706.db2.gz RBNJKVBIBWLPJI-DJIMGWMZSA-N 1 3 360.420 2.986 20 0 FFADHO c1ccc(-n2nnnc2CCN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443596716 514002639 /nfs/dbraw/zinc/00/26/39/514002639.db2.gz BBTOOATYTVYJMN-UHFFFAOYSA-N 1 3 368.529 2.793 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000431791866 514003560 /nfs/dbraw/zinc/00/35/60/514003560.db2.gz SEXBHBBQGFAZSX-QGZVFWFLSA-N 1 3 371.529 2.572 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000431791866 514003565 /nfs/dbraw/zinc/00/35/65/514003565.db2.gz SEXBHBBQGFAZSX-QGZVFWFLSA-N 1 3 371.529 2.572 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1CN(C)Cc1ccco1 ZINC000423001895 514004588 /nfs/dbraw/zinc/00/45/88/514004588.db2.gz FEANVOCBCRDGLK-ORYQWCPZSA-N 1 3 357.498 2.754 20 0 FFADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194096 514005929 /nfs/dbraw/zinc/00/59/29/514005929.db2.gz NEYLJMRXSUBAAF-AQNXPRMDSA-N 1 3 351.579 2.833 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N2CCCC2)c1 ZINC000416856016 514006296 /nfs/dbraw/zinc/00/62/96/514006296.db2.gz QOQLASOIECYFHA-TZIWHRDSSA-N 1 3 374.529 2.521 20 0 FFADHO CC(C)CC[C@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414194061 514006673 /nfs/dbraw/zinc/00/66/73/514006673.db2.gz MZXZUDHAJPHFIB-PMACEKPBSA-N 1 3 351.579 2.978 20 0 FFADHO CN(C)[C@H](CC(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000431803286 514007287 /nfs/dbraw/zinc/00/72/87/514007287.db2.gz XNYLNWMZPWNYRU-HXUWFJFHSA-N 1 3 373.541 2.831 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(F)c(Cl)c1 ZINC000414196449 514007696 /nfs/dbraw/zinc/00/76/96/514007696.db2.gz OWPUSCRCCBPNIM-OAHLLOKOSA-N 1 3 369.912 2.926 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000431803211 514007934 /nfs/dbraw/zinc/00/79/34/514007934.db2.gz XBEBHHAXGAVXMV-NSHGMRRFSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000431803211 514007939 /nfs/dbraw/zinc/00/79/39/514007939.db2.gz XBEBHHAXGAVXMV-NSHGMRRFSA-N 1 3 365.562 2.599 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000416859957 514008675 /nfs/dbraw/zinc/00/86/75/514008675.db2.gz VCHUHCPSBRKWIG-HKUYNNGSSA-N 1 3 362.518 2.649 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000416878156 514019433 /nfs/dbraw/zinc/01/94/33/514019433.db2.gz DMERMSDORIIZFC-IBGZPJMESA-N 1 3 358.530 2.668 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cc2cc(Br)ccc2[nH]1 ZINC000423054476 514021654 /nfs/dbraw/zinc/02/16/54/514021654.db2.gz UUIBJERIFSIJJO-DRZCJDIDSA-N 1 3 352.276 2.772 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423079953 514031900 /nfs/dbraw/zinc/03/19/00/514031900.db2.gz YXZKAWYSBBDUOP-YQQAZPJKSA-N 1 3 355.320 2.707 20 0 FFADHO O=C(N1CCCC1)N1CCC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423105508 514042837 /nfs/dbraw/zinc/04/28/37/514042837.db2.gz NQGPWVVTEHBCGN-HSALFYBXSA-N 1 3 356.514 2.750 20 0 FFADHO COc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)ccc1OCCN(C)C ZINC000420201465 514048970 /nfs/dbraw/zinc/04/89/70/514048970.db2.gz HHFRBRWHCNYHJO-KRWDZBQOSA-N 1 3 363.502 2.839 20 0 FFADHO COc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)ccc1OCCN(C)C ZINC000420201465 514048977 /nfs/dbraw/zinc/04/89/77/514048977.db2.gz HHFRBRWHCNYHJO-KRWDZBQOSA-N 1 3 363.502 2.839 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2nccn2-c2ccccc2)CC[NH2+]CC1 ZINC000423128258 514053524 /nfs/dbraw/zinc/05/35/24/514053524.db2.gz PZQDAPQPNVAPLQ-IRXDYDNUSA-N 1 3 370.497 2.844 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(Br)cc1Cl ZINC000423146703 514060481 /nfs/dbraw/zinc/06/04/81/514060481.db2.gz PZPOGCJOQCQIKR-ZBINZKHDSA-N 1 3 361.711 2.987 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423146703 514060484 /nfs/dbraw/zinc/06/04/84/514060484.db2.gz PZPOGCJOQCQIKR-ZBINZKHDSA-N 1 3 361.711 2.987 20 0 FFADHO Brc1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423160390 514064729 /nfs/dbraw/zinc/06/47/29/514064729.db2.gz HCAYYKRQEKAINC-YESZJQIVSA-N 1 3 353.304 2.738 20 0 FFADHO CS(=O)(=O)c1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)s1 ZINC000414372332 514073122 /nfs/dbraw/zinc/07/31/22/514073122.db2.gz ZSRJEADYQGLZKD-UHFFFAOYSA-N 1 3 365.524 2.553 20 0 FFADHO CCc1ccc([C@H]2CNCCN2C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420310198 514084090 /nfs/dbraw/zinc/08/40/90/514084090.db2.gz FWUOUYSHNUSGLQ-IFMALSPDSA-N 1 3 353.510 2.946 20 0 FFADHO c1sc(-c2ccccc2)nc1CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315190 514088063 /nfs/dbraw/zinc/08/80/63/514088063.db2.gz ZXGFKKDIDTYEFE-QGZVFWFLSA-N 1 3 356.539 2.927 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[C@@H](C)CN1 ZINC000416979946 514089014 /nfs/dbraw/zinc/08/90/14/514089014.db2.gz SZAVTYURYUUSCS-SQNIBIBYSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[C@@H](C)CN1 ZINC000416979946 514089021 /nfs/dbraw/zinc/08/90/21/514089021.db2.gz SZAVTYURYUUSCS-SQNIBIBYSA-N 1 3 358.530 2.953 20 0 FFADHO c1cc(CN(CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420313678 514089279 /nfs/dbraw/zinc/08/92/79/514089279.db2.gz PQQJAGVHUVLUOV-CEXWTWQISA-N 1 3 361.555 2.555 20 0 FFADHO CN1CCC(O)(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449160237 514097296 /nfs/dbraw/zinc/09/72/96/514097296.db2.gz AQIGEFQBPDIKGK-UHFFFAOYSA-N 1 3 371.294 2.881 20 0 FFADHO COc1ccc(Cl)cc1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420328289 514097262 /nfs/dbraw/zinc/09/72/62/514097262.db2.gz ZWUDECLONJRDRC-INIZCTEOSA-N 1 3 351.922 2.856 20 0 FFADHO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338049 514099984 /nfs/dbraw/zinc/09/99/84/514099984.db2.gz NQWPSXWKPPEWRL-MCIONIFRSA-N 1 3 355.404 2.964 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423291140 514101451 /nfs/dbraw/zinc/10/14/51/514101451.db2.gz GZXPWSGLOLVKGV-QWHCGFSZSA-N 1 3 364.287 2.809 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000420345724 514103737 /nfs/dbraw/zinc/10/37/37/514103737.db2.gz WLSOPLOERZSCCY-ZWKOTPCHSA-N 1 3 361.555 2.607 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccsc1 ZINC000417002320 514108902 /nfs/dbraw/zinc/10/89/02/514108902.db2.gz GEMGGMCYWOYMBK-XOYOTBSWSA-N 1 3 364.559 2.900 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000423354787 514114850 /nfs/dbraw/zinc/11/48/50/514114850.db2.gz GXUFVBKHCKJMRH-RTWAWAEBSA-N 1 3 357.542 2.965 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000423354787 514114860 /nfs/dbraw/zinc/11/48/60/514114860.db2.gz GXUFVBKHCKJMRH-RTWAWAEBSA-N 1 3 357.542 2.965 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccsc1 ZINC000417011159 514116788 /nfs/dbraw/zinc/11/67/88/514116788.db2.gz RGRXIRKKNMJMKN-JZXOWHBKSA-N 1 3 364.559 2.772 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](CCCOc3ccc4ccccc4c3)C2)nn1 ZINC000420378321 514117329 /nfs/dbraw/zinc/11/73/29/514117329.db2.gz LZQNWWCGRLOBEY-HXUWFJFHSA-N 1 3 365.481 2.996 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)nn1 ZINC000420378321 514117332 /nfs/dbraw/zinc/11/73/32/514117332.db2.gz LZQNWWCGRLOBEY-HXUWFJFHSA-N 1 3 365.481 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccsc1 ZINC000417013507 514119191 /nfs/dbraw/zinc/11/91/91/514119191.db2.gz YPBRVBRPJXLPDB-DJIMGWMZSA-N 1 3 352.548 2.948 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccsc1 ZINC000417013858 514119570 /nfs/dbraw/zinc/11/95/70/514119570.db2.gz YYUXJJIHKDUJSJ-NVXWUHKLSA-N 1 3 352.548 2.901 20 0 FFADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000423385332 514124634 /nfs/dbraw/zinc/12/46/34/514124634.db2.gz QTKQUOSZZLMJGY-HXUWFJFHSA-N 1 3 361.530 2.583 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423388342 514125192 /nfs/dbraw/zinc/12/51/92/514125192.db2.gz NKRBZMUGJWPNJQ-BHYGNILZSA-N 1 3 353.532 2.638 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@H](c1ccccc1)N1CCOCC1 ZINC000423393810 514126698 /nfs/dbraw/zinc/12/66/98/514126698.db2.gz RAUFLZWBGUDFKJ-VGOFRKELSA-N 1 3 351.494 2.841 20 0 FFADHO C[C@@H]1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000420392396 514126849 /nfs/dbraw/zinc/12/68/49/514126849.db2.gz BJHIFYRZKLAKDU-OLZOCXBDSA-N 1 3 354.292 2.694 20 0 FFADHO COc1ccc([C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C(C)C)cc1 ZINC000423404270 514131545 /nfs/dbraw/zinc/13/15/45/514131545.db2.gz ZRRAUWWWVYYQAC-DLBZAZTESA-N 1 3 359.436 2.818 20 0 FFADHO COc1ccc([C@H](NC[C@@H]2NCCc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000423438499 514142730 /nfs/dbraw/zinc/14/27/30/514142730.db2.gz UXJRYDSENKANHD-FKBYEOEOSA-N 1 3 351.494 2.965 20 0 FFADHO C[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)CC1CCCCC1 ZINC000414487465 514145509 /nfs/dbraw/zinc/14/55/09/514145509.db2.gz SGHOVFUYFYYDSF-IBGZPJMESA-N 1 3 351.579 2.979 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423498201 514152427 /nfs/dbraw/zinc/15/24/27/514152427.db2.gz HSZKOLXAUXFXNU-HNAYVOBHSA-N 1 3 361.511 2.726 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417086275 514161387 /nfs/dbraw/zinc/16/13/87/514161387.db2.gz DTZHMNMUBFVXQI-JOCHJYFZSA-N 1 3 370.541 2.608 20 0 FFADHO CN(CCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)Cc1ccccc1 ZINC000449317218 514162761 /nfs/dbraw/zinc/16/27/61/514162761.db2.gz RFLHKRWSERLUBE-QFIPXVFZSA-N 1 3 351.494 2.556 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417090927 514163368 /nfs/dbraw/zinc/16/33/68/514163368.db2.gz ZJALUNQIEFQELN-LEWJYISDSA-N 1 3 370.541 2.682 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000417089600 514163440 /nfs/dbraw/zinc/16/34/40/514163440.db2.gz QKXXQQAFJBJUTR-BJLQDIEVSA-N 1 3 358.530 2.715 20 0 FFADHO CC[C@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](CC)CC ZINC000427291790 514173561 /nfs/dbraw/zinc/17/35/61/514173561.db2.gz JWUAEEPDYPFCLS-WSTZPKSXSA-N 1 3 367.578 2.845 20 0 FFADHO Cc1ccccc1CNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414561616 514180315 /nfs/dbraw/zinc/18/03/15/514180315.db2.gz ZNWXULHXSZKMKD-UHFFFAOYSA-N 1 3 351.494 2.982 20 0 FFADHO COC(=O)[C@]1(C)CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000414560884 514181067 /nfs/dbraw/zinc/18/10/67/514181067.db2.gz RRGXWCKAZWGDGD-JOCHJYFZSA-N 1 3 373.541 2.992 20 0 FFADHO CCN(Cc1ccc(C(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)cc1)C1CC1 ZINC000444353862 514203351 /nfs/dbraw/zinc/20/33/51/514203351.db2.gz SBFUYACRIIOIMR-KRWDZBQOSA-N 1 3 373.541 2.588 20 0 FFADHO CCN(Cc1ccc(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1)C1CC1 ZINC000444353862 514203353 /nfs/dbraw/zinc/20/33/53/514203353.db2.gz SBFUYACRIIOIMR-KRWDZBQOSA-N 1 3 373.541 2.588 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423747102 514218594 /nfs/dbraw/zinc/21/85/94/514218594.db2.gz OZRVQMKGXZYCLM-KSSFIOAISA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+](C2CC2)C1 ZINC000452174749 514231510 /nfs/dbraw/zinc/23/15/10/514231510.db2.gz QSIPJYSKKMNFML-INIZCTEOSA-N 1 3 350.466 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+](C2CC2)C1 ZINC000452174749 514231516 /nfs/dbraw/zinc/23/15/16/514231516.db2.gz QSIPJYSKKMNFML-INIZCTEOSA-N 1 3 350.466 2.803 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417223708 514243560 /nfs/dbraw/zinc/24/35/60/514243560.db2.gz SPFZMMRNZVLRGL-YFVAEKQCSA-N 1 3 356.514 2.607 20 0 FFADHO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)N1CCC(C)CC1 ZINC000414709120 514251614 /nfs/dbraw/zinc/25/16/14/514251614.db2.gz RALUIZHLSHDOPD-APWZRJJASA-N 1 3 374.529 2.518 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414731150 514260117 /nfs/dbraw/zinc/26/01/17/514260117.db2.gz AERVVMRRUUOORO-GJZGRUSLSA-N 1 3 351.457 2.873 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414731150 514260124 /nfs/dbraw/zinc/26/01/24/514260124.db2.gz AERVVMRRUUOORO-GJZGRUSLSA-N 1 3 351.457 2.873 20 0 FFADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000414743811 514268821 /nfs/dbraw/zinc/26/88/21/514268821.db2.gz PBAIKEMSRZOERY-FHWLQOOXSA-N 1 3 365.562 2.634 20 0 FFADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000414743811 514268828 /nfs/dbraw/zinc/26/88/28/514268828.db2.gz PBAIKEMSRZOERY-FHWLQOOXSA-N 1 3 365.562 2.634 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC000414746437 514270402 /nfs/dbraw/zinc/27/04/02/514270402.db2.gz ZAZRYWIKAHREQR-QFIPXVFZSA-N 1 3 365.521 2.929 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC000414746437 514270406 /nfs/dbraw/zinc/27/04/06/514270406.db2.gz ZAZRYWIKAHREQR-QFIPXVFZSA-N 1 3 365.521 2.929 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291586 514277216 /nfs/dbraw/zinc/27/72/16/514277216.db2.gz AWWGACCNKHUPCK-CJNGLKHVSA-N 1 3 374.451 2.982 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000420764927 514284323 /nfs/dbraw/zinc/28/43/23/514284323.db2.gz DKERNPRVFYZVAQ-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO COc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000444665720 514287896 /nfs/dbraw/zinc/28/78/96/514287896.db2.gz PPHBAYFKIDZHHW-UHFFFAOYSA-N 1 3 373.541 2.899 20 0 FFADHO COc1cc(CN(C)C[C@@H]2CCCO2)cc(CN(C)C[C@@H]2CCCO2)c1 ZINC000432803165 514288687 /nfs/dbraw/zinc/28/86/87/514288687.db2.gz GNPCZHZJNJMLPV-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN(C)C[C@@H]2CCCO2)cc(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000432803165 514288695 /nfs/dbraw/zinc/28/86/95/514288695.db2.gz GNPCZHZJNJMLPV-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN(C)C[C@@H]2CCCO2)cc(C[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000432803165 514288703 /nfs/dbraw/zinc/28/87/03/514288703.db2.gz GNPCZHZJNJMLPV-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)N(C)C)cc1 ZINC000417317168 514291834 /nfs/dbraw/zinc/29/18/34/514291834.db2.gz VXJAPAJJYQSGNT-HBMCJLEFSA-N 1 3 366.509 2.734 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000417352658 514306808 /nfs/dbraw/zinc/30/68/08/514306808.db2.gz GPVPUTIJNCCGSZ-UXHICEINSA-N 1 3 358.530 2.915 20 0 FFADHO CCCN(C(=O)NCC1CCN(Cc2cccs2)CC1)[C@H]1CC[NH2+]C1 ZINC000417381160 514324064 /nfs/dbraw/zinc/32/40/64/514324064.db2.gz LVOWGNLKNCKZHJ-KRWDZBQOSA-N 1 3 364.559 2.744 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCNC(C)(C)C3)c2)CC1 ZINC000417466615 514368023 /nfs/dbraw/zinc/36/80/23/514368023.db2.gz KOKNFNFSZSSUTA-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C[C@@H]1C[NH3+] ZINC000424074487 514370439 /nfs/dbraw/zinc/37/04/39/514370439.db2.gz ODWJTTOTLMQKII-NEPXVJNWSA-N 1 3 361.505 2.870 20 0 FFADHO CN1CC[NH2+]C[C@@H]1CNC(Cc1ccccc1F)Cc1ccccc1F ZINC000414974387 514382127 /nfs/dbraw/zinc/38/21/27/514382127.db2.gz KDVAIDKYAMCYJF-LJQANCHMSA-N 1 3 359.464 2.612 20 0 FFADHO COc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc12 ZINC000414972475 514382176 /nfs/dbraw/zinc/38/21/76/514382176.db2.gz JIUHJMICALVLCX-GOSISDBHSA-N 1 3 367.415 2.774 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(-c3ccccc3F)o2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414996867 514394171 /nfs/dbraw/zinc/39/41/71/514394171.db2.gz YIKMVGNJMCJAHB-NQIIRXRSSA-N 1 3 371.456 2.822 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217691 514420674 /nfs/dbraw/zinc/42/06/74/514420674.db2.gz NHMIRDMFYBVUDS-RBBKRZOGSA-N 1 3 363.505 2.795 20 0 FFADHO CC(C)N1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433212587 514425122 /nfs/dbraw/zinc/42/51/22/514425122.db2.gz KDSOACGZXZWRHN-HXUWFJFHSA-N 1 3 355.526 2.984 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000415085422 514435787 /nfs/dbraw/zinc/43/57/87/514435787.db2.gz IDPGQEBOBKUXIR-PZJWPPBQSA-N 1 3 351.494 2.757 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000415086971 514436861 /nfs/dbraw/zinc/43/68/61/514436861.db2.gz SJFRMOJGFNNOKS-SFHVURJKSA-N 1 3 367.493 2.519 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000417622749 514440186 /nfs/dbraw/zinc/44/01/86/514440186.db2.gz IQMSZCUDEMCKSY-ZYSHUDEJSA-N 1 3 358.530 2.803 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000415107869 514446895 /nfs/dbraw/zinc/44/68/95/514446895.db2.gz PNPKZHGLHIPMDF-KBPBESRZSA-N 1 3 357.420 2.596 20 0 FFADHO COCCCOc1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415120318 514452959 /nfs/dbraw/zinc/45/29/59/514452959.db2.gz GLZRNUMYGDVJOG-TZIWHRDSSA-N 1 3 362.514 2.820 20 0 FFADHO Cc1cc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc(C)c1OC(F)F ZINC000415137201 514462714 /nfs/dbraw/zinc/46/27/14/514462714.db2.gz XXYINXMWEBZVTK-INIZCTEOSA-N 1 3 365.428 2.792 20 0 FFADHO Cc1cc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc(C)c1OC(F)F ZINC000415137201 514462720 /nfs/dbraw/zinc/46/27/20/514462720.db2.gz XXYINXMWEBZVTK-INIZCTEOSA-N 1 3 365.428 2.792 20 0 FFADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(O)(C[NH3+])CC2)o1 ZINC000415139060 514464261 /nfs/dbraw/zinc/46/42/61/514464261.db2.gz HWBJFZOLCKSNJG-UHFFFAOYSA-N 1 3 366.465 2.726 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433564056 514514362 /nfs/dbraw/zinc/51/43/62/514514362.db2.gz HRWNGPLKSUBDAR-ZHALLVOQSA-N 1 3 350.551 2.671 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000465916215 514519634 /nfs/dbraw/zinc/51/96/34/514519634.db2.gz CCUMULOMXGWUSR-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000465916215 514519638 /nfs/dbraw/zinc/51/96/38/514519638.db2.gz CCUMULOMXGWUSR-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453072565 514534924 /nfs/dbraw/zinc/53/49/24/514534924.db2.gz DLEOTJUHRUPPNE-ZLNRFVROSA-N 1 3 370.585 2.657 20 0 FFADHO CCc1ccccc1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465993414 514535120 /nfs/dbraw/zinc/53/51/20/514535120.db2.gz WXSQPFLEPHZIJJ-HXUWFJFHSA-N 1 3 360.546 2.807 20 0 FFADHO CCc1ccccc1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465993414 514535128 /nfs/dbraw/zinc/53/51/28/514535128.db2.gz WXSQPFLEPHZIJJ-HXUWFJFHSA-N 1 3 360.546 2.807 20 0 FFADHO C[C@H](CCCc1cccnc1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000453078683 514539113 /nfs/dbraw/zinc/53/91/13/514539113.db2.gz CAWPJIAGBABMAN-HXUWFJFHSA-N 1 3 367.541 2.990 20 0 FFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453119122 514549651 /nfs/dbraw/zinc/54/96/51/514549651.db2.gz BDOHPFGCVZVBFY-QGZVFWFLSA-N 1 3 355.530 2.764 20 0 FFADHO C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000458092995 514564302 /nfs/dbraw/zinc/56/43/02/514564302.db2.gz CJKWLRZTCUVAQS-HNNXBMFYSA-N 1 3 352.548 2.600 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000466148171 514565614 /nfs/dbraw/zinc/56/56/14/514565614.db2.gz ZYDFNLYJZGWPHA-NSISKUIASA-N 1 3 358.530 2.851 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000458096429 514566888 /nfs/dbraw/zinc/56/68/88/514566888.db2.gz RFQJKPGUSUWPPZ-PBHICJAKSA-N 1 3 352.548 2.651 20 0 FFADHO COc1ccc([C@@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000475137782 514569297 /nfs/dbraw/zinc/56/92/97/514569297.db2.gz SUTHPGRVQKDEJG-OXQOHEQNSA-N 1 3 355.482 2.765 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(F)c1F ZINC000455562257 514594025 /nfs/dbraw/zinc/59/40/25/514594025.db2.gz GZNAQNOANSAAPC-CQSZACIVSA-N 1 3 372.435 2.984 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(F)c1F ZINC000455562257 514594036 /nfs/dbraw/zinc/59/40/36/514594036.db2.gz GZNAQNOANSAAPC-CQSZACIVSA-N 1 3 372.435 2.984 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)cc1 ZINC000453323909 514602568 /nfs/dbraw/zinc/60/25/68/514602568.db2.gz KBSNODKFZIKBBR-DRSNIGMVSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475363509 514634765 /nfs/dbraw/zinc/63/47/65/514634765.db2.gz DNQUELCLZYNCJM-NYLDSWQDSA-N 1 3 370.541 2.919 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CC3CC(OC(C)(C)C)C3)CC2)CC1 ZINC000488997334 514666923 /nfs/dbraw/zinc/66/69/23/514666923.db2.gz RPXVPGVZOFZTCN-UHFFFAOYSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466513176 514669691 /nfs/dbraw/zinc/66/96/91/514669691.db2.gz HHFZMDMFYHAQNO-UYAOXDASSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466513176 514669702 /nfs/dbraw/zinc/66/97/02/514669702.db2.gz HHFZMDMFYHAQNO-UYAOXDASSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)N1[C@H](C)CC[C@H]1C ZINC000458277570 514682800 /nfs/dbraw/zinc/68/28/00/514682800.db2.gz DUYSPVHBRYCSJO-RBSFLKMASA-N 1 3 351.466 2.966 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000489058251 514689198 /nfs/dbraw/zinc/68/91/98/514689198.db2.gz COYFTFAAWYUUDG-KCZVDYSFSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000489058251 514689210 /nfs/dbraw/zinc/68/92/10/514689210.db2.gz COYFTFAAWYUUDG-KCZVDYSFSA-N 1 3 370.541 2.967 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cncc(Cl)c1C ZINC000455711770 514697907 /nfs/dbraw/zinc/69/79/07/514697907.db2.gz LDDJQGLNWASOKC-HNNXBMFYSA-N 1 3 367.925 2.923 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cncc(Cl)c1C ZINC000455711770 514697918 /nfs/dbraw/zinc/69/79/18/514697918.db2.gz LDDJQGLNWASOKC-HNNXBMFYSA-N 1 3 367.925 2.923 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466620566 514709227 /nfs/dbraw/zinc/70/92/27/514709227.db2.gz VHYLNSMVFXTVNK-LPHOPBHVSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCCC1)c1ccccc1 ZINC000458361632 514732968 /nfs/dbraw/zinc/73/29/68/514732968.db2.gz AWIZAOHKHFKVLY-YSIASYRMSA-N 1 3 370.541 2.996 20 0 FFADHO CCC[C@@](C)(N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000498083081 514755144 /nfs/dbraw/zinc/75/51/44/514755144.db2.gz YELSELCYZSEJIT-HXUWFJFHSA-N 1 3 360.502 2.957 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000498112191 514766921 /nfs/dbraw/zinc/76/69/21/514766921.db2.gz RMIZKWBNTKIDIH-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000479925241 514778721 /nfs/dbraw/zinc/77/87/21/514778721.db2.gz OKFHOWOVFYBVCS-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000480050419 514823145 /nfs/dbraw/zinc/82/31/45/514823145.db2.gz VTMLIQKDACCYEL-NNWRFLSQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480050419 514823155 /nfs/dbraw/zinc/82/31/55/514823155.db2.gz VTMLIQKDACCYEL-NNWRFLSQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480050419 514823167 /nfs/dbraw/zinc/82/31/67/514823167.db2.gz VTMLIQKDACCYEL-NNWRFLSQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000462019565 514834767 /nfs/dbraw/zinc/83/47/67/514834767.db2.gz ZGKBQGWUIFNBNO-KRWDZBQOSA-N 1 3 361.534 2.668 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000462019565 514834772 /nfs/dbraw/zinc/83/47/72/514834772.db2.gz ZGKBQGWUIFNBNO-KRWDZBQOSA-N 1 3 361.534 2.668 20 0 FFADHO CC[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000502948918 514853359 /nfs/dbraw/zinc/85/33/59/514853359.db2.gz FJMPMENCOQUEDU-FXAWDEMLSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000502948918 514853371 /nfs/dbraw/zinc/85/33/71/514853371.db2.gz FJMPMENCOQUEDU-FXAWDEMLSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)N1CCc2ccccc2C1 ZINC000502948920 514853835 /nfs/dbraw/zinc/85/38/35/514853835.db2.gz FJMPMENCOQUEDU-XLIONFOSSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)N1CCc2ccccc2C1 ZINC000502948920 514853845 /nfs/dbraw/zinc/85/38/45/514853845.db2.gz FJMPMENCOQUEDU-XLIONFOSSA-N 1 3 358.530 2.559 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000462084106 514872591 /nfs/dbraw/zinc/87/25/91/514872591.db2.gz LYCBLVDKYNWQNH-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000503099117 514919059 /nfs/dbraw/zinc/91/90/59/514919059.db2.gz XSWSNJSJAWISLV-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508866792 514927092 /nfs/dbraw/zinc/92/70/92/514927092.db2.gz RYHQAJIOUVDNFW-LMCOJAPRSA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508866792 514927103 /nfs/dbraw/zinc/92/71/03/514927103.db2.gz RYHQAJIOUVDNFW-LMCOJAPRSA-N 1 3 358.530 2.946 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000503147516 514933964 /nfs/dbraw/zinc/93/39/64/514933964.db2.gz XTFKZLUWTDMNQY-VQTJNVASSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000503147516 514933970 /nfs/dbraw/zinc/93/39/70/514933970.db2.gz XTFKZLUWTDMNQY-VQTJNVASSA-N 1 3 360.546 2.723 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000480478658 514972379 /nfs/dbraw/zinc/97/23/79/514972379.db2.gz DHERBCNUQOUDJH-NRFANRHFSA-N 1 3 371.500 2.661 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000458640532 514981553 /nfs/dbraw/zinc/98/15/53/514981553.db2.gz VPDBKBKOFQAVFL-SCTDSRPQSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000458640532 514981562 /nfs/dbraw/zinc/98/15/62/514981562.db2.gz VPDBKBKOFQAVFL-SCTDSRPQSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000458732883 515051888 /nfs/dbraw/zinc/05/18/88/515051888.db2.gz HGWAXSIIASNVKJ-AZUAARDMSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000458732883 515051896 /nfs/dbraw/zinc/05/18/96/515051896.db2.gz HGWAXSIIASNVKJ-AZUAARDMSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000458737110 515055711 /nfs/dbraw/zinc/05/57/11/515055711.db2.gz PGFMMDFDPIKVBH-PZJWPPBQSA-N 1 3 362.562 2.911 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000458737110 515055715 /nfs/dbraw/zinc/05/57/15/515055715.db2.gz PGFMMDFDPIKVBH-PZJWPPBQSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000476461416 515057859 /nfs/dbraw/zinc/05/78/59/515057859.db2.gz PEVXUCZGQRVYQY-OAQYLSRUSA-N 1 3 371.525 2.609 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000462511697 515097484 /nfs/dbraw/zinc/09/74/84/515097484.db2.gz QBGUDHXCRQBDJQ-UHFFFAOYSA-N 1 3 370.607 2.721 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000462516128 515099792 /nfs/dbraw/zinc/09/97/92/515099792.db2.gz WNCBGMUSMOKHAR-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000462516128 515099804 /nfs/dbraw/zinc/09/98/04/515099804.db2.gz WNCBGMUSMOKHAR-GGPKGHCWSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000490165821 515126290 /nfs/dbraw/zinc/12/62/90/515126290.db2.gz QURVKHCBUKDBLL-IFMALSPDSA-N 1 3 370.541 2.634 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000490165821 515126299 /nfs/dbraw/zinc/12/62/99/515126299.db2.gz QURVKHCBUKDBLL-IFMALSPDSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@@H](C)C1 ZINC000458839449 515132310 /nfs/dbraw/zinc/13/23/10/515132310.db2.gz CZXKYUVTZMOMKO-GBESFXJTSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CCN(C2CCC2)C1 ZINC000458854521 515145376 /nfs/dbraw/zinc/14/53/76/515145376.db2.gz PUXZNJBERHSOIF-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000498989938 515157849 /nfs/dbraw/zinc/15/78/49/515157849.db2.gz TVDBXDOGOAUCHG-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000498989938 515157857 /nfs/dbraw/zinc/15/78/57/515157857.db2.gz TVDBXDOGOAUCHG-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000498989938 515157862 /nfs/dbraw/zinc/15/78/62/515157862.db2.gz TVDBXDOGOAUCHG-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000498989938 515157872 /nfs/dbraw/zinc/15/78/72/515157872.db2.gz TVDBXDOGOAUCHG-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490263868 515161036 /nfs/dbraw/zinc/16/10/36/515161036.db2.gz WDLZTZKLUTTXAM-INDMIFKZSA-N 1 3 350.551 2.623 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472229808 515177709 /nfs/dbraw/zinc/17/77/09/515177709.db2.gz CMUVYQVDGRMLDG-VQTJNVASSA-N 1 3 372.557 2.928 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472229808 515177716 /nfs/dbraw/zinc/17/77/16/515177716.db2.gz CMUVYQVDGRMLDG-VQTJNVASSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458966601 515231250 /nfs/dbraw/zinc/23/12/50/515231250.db2.gz FHVSJBJAGACLHB-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458966601 515231257 /nfs/dbraw/zinc/23/12/57/515231257.db2.gz FHVSJBJAGACLHB-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000499197513 515235128 /nfs/dbraw/zinc/23/51/28/515235128.db2.gz TXIAORPPKKRTEI-IHPCNDPISA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000499197513 515235136 /nfs/dbraw/zinc/23/51/36/515235136.db2.gz TXIAORPPKKRTEI-IHPCNDPISA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000509581388 515243483 /nfs/dbraw/zinc/24/34/83/515243483.db2.gz BTYHKIWZTUFQLU-YLFCFFPRSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000509581388 515243494 /nfs/dbraw/zinc/24/34/94/515243494.db2.gz BTYHKIWZTUFQLU-YLFCFFPRSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000509589201 515248047 /nfs/dbraw/zinc/24/80/47/515248047.db2.gz YYCGSUHKARZNKX-YESZJQIVSA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000509589201 515248052 /nfs/dbraw/zinc/24/80/52/515248052.db2.gz YYCGSUHKARZNKX-YESZJQIVSA-N 1 3 350.507 2.692 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472385925 515253407 /nfs/dbraw/zinc/25/34/07/515253407.db2.gz IMWRRWATUDEXMY-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472385925 515253412 /nfs/dbraw/zinc/25/34/12/515253412.db2.gz IMWRRWATUDEXMY-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccco1 ZINC000509611487 515255868 /nfs/dbraw/zinc/25/58/68/515255868.db2.gz QMEKLUYCBWFAPS-YYIAUSFCSA-N 1 3 350.507 2.690 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000509611487 515255877 /nfs/dbraw/zinc/25/58/77/515255877.db2.gz QMEKLUYCBWFAPS-YYIAUSFCSA-N 1 3 350.507 2.690 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCCCC3)cc2)CC1 ZINC000468206837 515263561 /nfs/dbraw/zinc/26/35/61/515263561.db2.gz YBIDLASPYJJKBQ-UHFFFAOYSA-N 1 3 372.557 2.823 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504295506 515263725 /nfs/dbraw/zinc/26/37/25/515263725.db2.gz KITDRKHHTZTVEQ-GVDBMIGSSA-N 1 3 362.543 2.811 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504295506 515263730 /nfs/dbraw/zinc/26/37/30/515263730.db2.gz KITDRKHHTZTVEQ-GVDBMIGSSA-N 1 3 362.543 2.811 20 0 FFADHO C[N@H+](CCCCNC(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000454150342 515271804 /nfs/dbraw/zinc/27/18/04/515271804.db2.gz ZPQXVMYBYOPDGJ-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCCNC(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000454150342 515271818 /nfs/dbraw/zinc/27/18/18/515271818.db2.gz ZPQXVMYBYOPDGJ-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504339584 515280215 /nfs/dbraw/zinc/28/02/15/515280215.db2.gz VBFATNRDZUCXGR-VQTJNVASSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504339584 515280227 /nfs/dbraw/zinc/28/02/27/515280227.db2.gz VBFATNRDZUCXGR-VQTJNVASSA-N 1 3 356.514 2.577 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000468287583 515297668 /nfs/dbraw/zinc/29/76/68/515297668.db2.gz RDEFNXIGYDEMTE-INIZCTEOSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000468287583 515297677 /nfs/dbraw/zinc/29/76/77/515297677.db2.gz RDEFNXIGYDEMTE-INIZCTEOSA-N 1 3 369.912 2.896 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000477064427 515310685 /nfs/dbraw/zinc/31/06/85/515310685.db2.gz GLASRABLIOKFLX-FQEVSTJZSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000477064427 515310695 /nfs/dbraw/zinc/31/06/95/515310695.db2.gz GLASRABLIOKFLX-FQEVSTJZSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@H+](CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000454234059 515328105 /nfs/dbraw/zinc/32/81/05/515328105.db2.gz DAPBNPWGRSONFG-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+](CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000454234059 515328112 /nfs/dbraw/zinc/32/81/12/515328112.db2.gz DAPBNPWGRSONFG-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000490991361 515349945 /nfs/dbraw/zinc/34/99/45/515349945.db2.gz ARZXHCLXISQGQR-OXJNMPFZSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000490991361 515349951 /nfs/dbraw/zinc/34/99/51/515349951.db2.gz ARZXHCLXISQGQR-OXJNMPFZSA-N 1 3 356.489 2.832 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@H]3CN(CCN4CCCOCC4)CC[C@H]32)cc1 ZINC000463109380 515370787 /nfs/dbraw/zinc/37/07/87/515370787.db2.gz QSWQFTLLJOPRHK-FCHUYYIVSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@H]3CN(CCN4CCCOCC4)CC[C@H]32)cc1 ZINC000463109380 515370795 /nfs/dbraw/zinc/37/07/95/515370795.db2.gz QSWQFTLLJOPRHK-FCHUYYIVSA-N 1 3 357.542 2.695 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[N@H+](C)C(C)C)N(C)C)cc1 ZINC000491084339 515373348 /nfs/dbraw/zinc/37/33/48/515373348.db2.gz GIZCGDRDIGPFMO-IBGZPJMESA-N 1 3 364.534 2.716 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000491084339 515373353 /nfs/dbraw/zinc/37/33/53/515373353.db2.gz GIZCGDRDIGPFMO-IBGZPJMESA-N 1 3 364.534 2.716 20 0 FFADHO CC[C@@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[NH+](CC)CC ZINC000468490152 515385625 /nfs/dbraw/zinc/38/56/25/515385625.db2.gz VQNCROZEIUAWCZ-SFTDATJTSA-N 1 3 374.573 2.602 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504881909 515401703 /nfs/dbraw/zinc/40/17/03/515401703.db2.gz KWDJDPLXZGRCRE-HXUWFJFHSA-N 1 3 358.530 2.826 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000486313190 515430936 /nfs/dbraw/zinc/43/09/36/515430936.db2.gz ARJXQIHUIQTVQS-APWZRJJASA-N 1 3 363.933 2.962 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000486313190 515430949 /nfs/dbraw/zinc/43/09/49/515430949.db2.gz ARJXQIHUIQTVQS-APWZRJJASA-N 1 3 363.933 2.962 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459273250 515438522 /nfs/dbraw/zinc/43/85/22/515438522.db2.gz XYEYTCVHJBTGCO-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459273250 515438533 /nfs/dbraw/zinc/43/85/33/515438533.db2.gz XYEYTCVHJBTGCO-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(CN(C)C)cc1)CC(C)C ZINC000477447738 515461090 /nfs/dbraw/zinc/46/10/90/515461090.db2.gz BXLPOVQGSOKLBG-SFHVURJKSA-N 1 3 369.575 2.783 20 0 FFADHO C[C@@H](CCNC(=O)NCCN1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000472965648 515461118 /nfs/dbraw/zinc/46/11/18/515461118.db2.gz HOCPPSCVYONMEN-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H](CCNC(=O)NCCN1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000472965648 515461127 /nfs/dbraw/zinc/46/11/27/515461127.db2.gz HOCPPSCVYONMEN-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCCCCC3)CC2)CC1 ZINC000454453789 515502346 /nfs/dbraw/zinc/50/23/46/515502346.db2.gz LJJNBMZSXFTIDR-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510336531 515506731 /nfs/dbraw/zinc/50/67/31/515506731.db2.gz NDXJSHHZKIGROS-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000510336531 515506741 /nfs/dbraw/zinc/50/67/41/515506741.db2.gz NDXJSHHZKIGROS-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000473270082 515558670 /nfs/dbraw/zinc/55/86/70/515558670.db2.gz PEBZJVHZXCAMCS-SFTDATJTSA-N 1 3 374.573 2.648 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000482112120 515577471 /nfs/dbraw/zinc/57/74/71/515577471.db2.gz DNLQYZHRKQUYST-OALUTQOASA-N 1 3 353.551 2.506 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000482112120 515577476 /nfs/dbraw/zinc/57/74/76/515577476.db2.gz DNLQYZHRKQUYST-OALUTQOASA-N 1 3 353.551 2.506 20 0 FFADHO C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1=CCN(C)CC1 ZINC000510556611 515584446 /nfs/dbraw/zinc/58/44/46/515584446.db2.gz YQHALRANHKUURH-KZNAEPCWSA-N 1 3 350.551 2.694 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000510779107 515667295 /nfs/dbraw/zinc/66/72/95/515667295.db2.gz JUPFJAWWUOEVPV-IRXDYDNUSA-N 1 3 362.518 2.869 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000510779107 515667300 /nfs/dbraw/zinc/66/73/00/515667300.db2.gz JUPFJAWWUOEVPV-IRXDYDNUSA-N 1 3 362.518 2.869 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2ncccc2c1 ZINC000505817008 515684358 /nfs/dbraw/zinc/68/43/58/515684358.db2.gz DUHXEEYVLDOQPD-IBGZPJMESA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2ncccc2c1 ZINC000505817008 515684367 /nfs/dbraw/zinc/68/43/67/515684367.db2.gz DUHXEEYVLDOQPD-IBGZPJMESA-N 1 3 354.498 2.723 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)no1 ZINC000505836258 515690672 /nfs/dbraw/zinc/69/06/72/515690672.db2.gz COFIDGGKFKAYIP-GOSISDBHSA-N 1 3 370.497 2.830 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000464074620 515703642 /nfs/dbraw/zinc/70/36/42/515703642.db2.gz VRTKZANPAHRHEZ-LJQANCHMSA-N 1 3 373.545 2.840 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000464074620 515703648 /nfs/dbraw/zinc/70/36/48/515703648.db2.gz VRTKZANPAHRHEZ-LJQANCHMSA-N 1 3 373.545 2.840 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncc(Cl)cc1C ZINC000464081547 515704116 /nfs/dbraw/zinc/70/41/16/515704116.db2.gz KSWNIRUPZAXVBE-INIZCTEOSA-N 1 3 367.925 2.923 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncc(Cl)cc1C ZINC000464081547 515704127 /nfs/dbraw/zinc/70/41/27/515704127.db2.gz KSWNIRUPZAXVBE-INIZCTEOSA-N 1 3 367.925 2.923 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000482647808 515751517 /nfs/dbraw/zinc/75/15/17/515751517.db2.gz CENJCYAOEJBALZ-AZUAARDMSA-N 1 3 369.594 2.602 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478412069 515812149 /nfs/dbraw/zinc/81/21/49/515812149.db2.gz BTIIBOUKASZGBD-ICSRJNTNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000473964888 515823135 /nfs/dbraw/zinc/82/31/35/515823135.db2.gz QARWOFGRRKYDTM-FKPGQJDZSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000473964888 515823140 /nfs/dbraw/zinc/82/31/40/515823140.db2.gz QARWOFGRRKYDTM-FKPGQJDZSA-N 1 3 370.541 2.679 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000511227366 515834332 /nfs/dbraw/zinc/83/43/32/515834332.db2.gz BOUVHZPOKDSPKB-IRXDYDNUSA-N 1 3 350.551 2.837 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000511227366 515834341 /nfs/dbraw/zinc/83/43/41/515834341.db2.gz BOUVHZPOKDSPKB-IRXDYDNUSA-N 1 3 350.551 2.837 20 0 FFADHO COc1cc(F)c([C@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000482889732 515838909 /nfs/dbraw/zinc/83/89/09/515838909.db2.gz PDSMPXDUQKRTOX-LSDHHAIUSA-N 1 3 354.466 2.730 20 0 FFADHO COc1cc(F)c([C@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000482889732 515838918 /nfs/dbraw/zinc/83/89/18/515838918.db2.gz PDSMPXDUQKRTOX-LSDHHAIUSA-N 1 3 354.466 2.730 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000469567866 515871155 /nfs/dbraw/zinc/87/11/55/515871155.db2.gz YJHLCXSIJHNFSI-HOJAQTOUSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000469567866 515871162 /nfs/dbraw/zinc/87/11/62/515871162.db2.gz YJHLCXSIJHNFSI-HOJAQTOUSA-N 1 3 360.546 2.925 20 0 FFADHO CN(CCNC(=O)C1CC[NH+](C[C@H]2CCCCO2)CC1)Cc1ccccc1 ZINC000494544471 515876717 /nfs/dbraw/zinc/87/67/17/515876717.db2.gz IMLPMPRRUONTAL-OAQYLSRUSA-N 1 3 373.541 2.516 20 0 FFADHO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000474122923 515893160 /nfs/dbraw/zinc/89/31/60/515893160.db2.gz LZCONIFJJIPIRD-QNGMFEMESA-N 1 3 370.541 2.967 20 0 FFADHO CN1CC[C@]2(CCN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)C2)C1 ZINC000487546429 515900101 /nfs/dbraw/zinc/90/01/01/515900101.db2.gz CPWGHDNWCWZQCG-FQEVSTJZSA-N 1 3 362.562 2.912 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511516740 515932364 /nfs/dbraw/zinc/93/23/64/515932364.db2.gz VXWGTTDILYNXIQ-PKOBYXMFSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000501047279 515951601 /nfs/dbraw/zinc/95/16/01/515951601.db2.gz OGPILLPMDAOQPF-GUDVDZBRSA-N 1 3 352.567 2.918 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc(OC)c(Cl)c2)[C@H](C)C1 ZINC000469794138 515970289 /nfs/dbraw/zinc/97/02/89/515970289.db2.gz MXZZOYUSNMIYMT-RHSMWYFYSA-N 1 3 355.910 2.970 20 0 FFADHO C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000487842773 516002452 /nfs/dbraw/zinc/00/24/52/516002452.db2.gz UGWINFUQYFLONR-OKZBNKHCSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000487842773 516002463 /nfs/dbraw/zinc/00/24/63/516002463.db2.gz UGWINFUQYFLONR-OKZBNKHCSA-N 1 3 350.551 2.765 20 0 FFADHO CC[NH+](CC)CC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000506944535 516029475 /nfs/dbraw/zinc/02/94/75/516029475.db2.gz UDQYNZNMCNLQAV-UHFFFAOYSA-N 1 3 352.548 2.534 20 0 FFADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)ccc1F ZINC000479071424 516046815 /nfs/dbraw/zinc/04/68/15/516046815.db2.gz SDRRRGSVEOKDAJ-HXUWFJFHSA-N 1 3 369.500 2.642 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000501327848 516063941 /nfs/dbraw/zinc/06/39/41/516063941.db2.gz CXQDNOZVUXDNAS-GHTZIAJQSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000501327848 516063958 /nfs/dbraw/zinc/06/39/58/516063958.db2.gz CXQDNOZVUXDNAS-GHTZIAJQSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)N1CCc2ccccc2C1 ZINC000501352460 516072017 /nfs/dbraw/zinc/07/20/17/516072017.db2.gz SXDMYXKGMSNVBS-NRFANRHFSA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000479197493 516102872 /nfs/dbraw/zinc/10/28/72/516102872.db2.gz VCTQQXJNWWEHMT-RTWAWAEBSA-N 1 3 369.484 2.821 20 0 FFADHO Cc1cc(NC(=O)c2csc(CC[NH3+])n2)ccc1OCCN1CCCC1 ZINC000479214063 516111004 /nfs/dbraw/zinc/11/10/04/516111004.db2.gz WEJCMLUBWFTLSX-UHFFFAOYSA-N 1 3 374.510 2.680 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000495455765 516168824 /nfs/dbraw/zinc/16/88/24/516168824.db2.gz RRINOCXEWYXTCF-FCEWJHQRSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000495455765 516168832 /nfs/dbraw/zinc/16/88/32/516168832.db2.gz RRINOCXEWYXTCF-FCEWJHQRSA-N 1 3 364.509 2.991 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)C1CC1 ZINC000483692379 516175249 /nfs/dbraw/zinc/17/52/49/516175249.db2.gz XAAZQPGTQFVGEI-FQEVSTJZSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1)C1CC1 ZINC000512167817 516180871 /nfs/dbraw/zinc/18/08/71/516180871.db2.gz TVLWORNEIWYIEU-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1)C1CC1 ZINC000512167817 516180877 /nfs/dbraw/zinc/18/08/77/516180877.db2.gz TVLWORNEIWYIEU-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+]1CCCC[C@@H]1C ZINC000465532889 516183565 /nfs/dbraw/zinc/18/35/65/516183565.db2.gz WFBVDFXIWMSGNB-ROUUACIJSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+]1CCCC[C@@H]1C ZINC000465532889 516183570 /nfs/dbraw/zinc/18/35/70/516183570.db2.gz WFBVDFXIWMSGNB-ROUUACIJSA-N 1 3 372.557 2.648 20 0 FFADHO CS[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1N(C)C ZINC000495581087 516190280 /nfs/dbraw/zinc/19/02/80/516190280.db2.gz UFOXFMMDBYAZHP-OALUTQOASA-N 1 3 361.555 2.790 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000507409175 516203372 /nfs/dbraw/zinc/20/33/72/516203372.db2.gz QVUWVVZAEVTEGY-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000507409175 516203379 /nfs/dbraw/zinc/20/33/79/516203379.db2.gz QVUWVVZAEVTEGY-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NCC1(N2CCSCC2)CCCCC1 ZINC000483806384 516216859 /nfs/dbraw/zinc/21/68/59/516216859.db2.gz UBAOIIMZRNSMNY-UHFFFAOYSA-N 1 3 368.591 2.523 20 0 FFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000474869987 516218757 /nfs/dbraw/zinc/21/87/57/516218757.db2.gz AHPHQKRWPWQACB-LEWJYISDSA-N 1 3 373.541 2.807 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000465652601 516221046 /nfs/dbraw/zinc/22/10/46/516221046.db2.gz NKFDKDYSLZECET-PZJWPPBQSA-N 1 3 374.573 2.984 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000465652601 516221057 /nfs/dbraw/zinc/22/10/57/516221057.db2.gz NKFDKDYSLZECET-PZJWPPBQSA-N 1 3 374.573 2.984 20 0 FFADHO CN(C)C1(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)Cc2ccccc2C1 ZINC000465685193 516229110 /nfs/dbraw/zinc/22/91/10/516229110.db2.gz JPLXIEZIXHTMDH-UHFFFAOYSA-N 1 3 372.557 2.648 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000501833369 516238166 /nfs/dbraw/zinc/23/81/66/516238166.db2.gz VZKVVONZALBSEO-AQNXPRMDSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000501833369 516238170 /nfs/dbraw/zinc/23/81/70/516238170.db2.gz VZKVVONZALBSEO-AQNXPRMDSA-N 1 3 356.514 2.750 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512321340 516239759 /nfs/dbraw/zinc/23/97/59/516239759.db2.gz GUXSUXGVSQNTRV-SFHVURJKSA-N 1 3 367.484 2.992 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512321340 516239764 /nfs/dbraw/zinc/23/97/64/516239764.db2.gz GUXSUXGVSQNTRV-SFHVURJKSA-N 1 3 367.484 2.992 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000501862023 516246784 /nfs/dbraw/zinc/24/67/84/516246784.db2.gz KIPPTUWUVPNSFN-UYAOXDASSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000465778797 516256206 /nfs/dbraw/zinc/25/62/06/516256206.db2.gz IFISZYORPFMNJJ-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000465778797 516256211 /nfs/dbraw/zinc/25/62/11/516256211.db2.gz IFISZYORPFMNJJ-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000484088745 516294439 /nfs/dbraw/zinc/29/44/39/516294439.db2.gz ZFFHEYKAWGXSTL-LJQANCHMSA-N 1 3 367.541 2.781 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000484088745 516294445 /nfs/dbraw/zinc/29/44/45/516294445.db2.gz ZFFHEYKAWGXSTL-LJQANCHMSA-N 1 3 367.541 2.781 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000512610720 516312973 /nfs/dbraw/zinc/31/29/73/516312973.db2.gz DKOXJPQYHQWLQN-MRARYGSRSA-N 1 3 367.537 2.886 20 0 FFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512650422 516318280 /nfs/dbraw/zinc/31/82/80/516318280.db2.gz ZXMSONFAVSRKAZ-SSSFQFABSA-N 1 3 355.526 2.791 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000497505420 516324527 /nfs/dbraw/zinc/32/45/27/516324527.db2.gz BCEXPTDPCBFDFX-FQEVSTJZSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000497505420 516324528 /nfs/dbraw/zinc/32/45/28/516324528.db2.gz BCEXPTDPCBFDFX-FQEVSTJZSA-N 1 3 373.541 2.524 20 0 FFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000497552490 516326142 /nfs/dbraw/zinc/32/61/42/516326142.db2.gz CHYXUZJLRWWNKJ-HXUWFJFHSA-N 1 3 373.541 2.646 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCN1CCCC1)Cc1ccccc1 ZINC000497592500 516327471 /nfs/dbraw/zinc/32/74/71/516327471.db2.gz PCAJLLCFZMSKFI-HXUWFJFHSA-N 1 3 360.546 2.677 20 0 FFADHO CCOc1cccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000528313965 516341117 /nfs/dbraw/zinc/34/11/17/516341117.db2.gz GYTANDKHPFBAEJ-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561041477 516347235 /nfs/dbraw/zinc/34/72/35/516347235.db2.gz BFLLBLVLMKFHSI-FCHUYYIVSA-N 1 3 363.505 2.899 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561041477 516347240 /nfs/dbraw/zinc/34/72/40/516347240.db2.gz BFLLBLVLMKFHSI-FCHUYYIVSA-N 1 3 363.505 2.899 20 0 FFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523013753 516371896 /nfs/dbraw/zinc/37/18/96/516371896.db2.gz BOXJWDQNMFLBQH-LJQANCHMSA-N 1 3 358.530 2.625 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000561174080 516427173 /nfs/dbraw/zinc/42/71/73/516427173.db2.gz HRJJTVSPHHXZOB-AZUAARDMSA-N 1 3 358.530 2.840 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000531360799 516429440 /nfs/dbraw/zinc/42/94/40/516429440.db2.gz OEJGZAHCJVNNHN-UHFFFAOYSA-N 1 3 354.498 2.996 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccncc3)C3CC3)CC2)CC1 ZINC000561181449 516432497 /nfs/dbraw/zinc/43/24/97/516432497.db2.gz BRMJIHDKGJCBMW-UHFFFAOYSA-N 1 3 370.541 2.769 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000540080227 516432712 /nfs/dbraw/zinc/43/27/12/516432712.db2.gz MYBUSGWRPCDREM-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000540080227 516432721 /nfs/dbraw/zinc/43/27/21/516432721.db2.gz MYBUSGWRPCDREM-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1CC[NH2+]CC1 ZINC000561204481 516448858 /nfs/dbraw/zinc/44/88/58/516448858.db2.gz XYMSTQBKGHVVDC-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO CCc1[nH+]c2ccccc2c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1C ZINC000554518308 516482469 /nfs/dbraw/zinc/48/24/69/516482469.db2.gz AXZPDFMEZCMGJP-HXUWFJFHSA-N 1 3 366.509 2.848 20 0 FFADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3ccnn3C)cc2)C[C@@H]1C ZINC000540325733 516510863 /nfs/dbraw/zinc/51/08/63/516510863.db2.gz SKLJYLIPCRDLMQ-ROUUACIJSA-N 1 3 356.514 2.719 20 0 FFADHO CS[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1N1CCCC1 ZINC000547736789 516532032 /nfs/dbraw/zinc/53/20/32/516532032.db2.gz UWJHUGGOBWEVEI-ZWKOTPCHSA-N 1 3 353.576 2.679 20 0 FFADHO CS[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1N1CCCC1 ZINC000547736789 516532042 /nfs/dbraw/zinc/53/20/42/516532042.db2.gz UWJHUGGOBWEVEI-ZWKOTPCHSA-N 1 3 353.576 2.679 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)N(C)C)cc1 ZINC000535940778 516564692 /nfs/dbraw/zinc/56/46/92/516564692.db2.gz OYTJQJRXTQXZMA-RTWAWAEBSA-N 1 3 372.557 2.971 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000513320103 516567302 /nfs/dbraw/zinc/56/73/02/516567302.db2.gz JSXSGJTWFLMWSA-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000513320103 516567309 /nfs/dbraw/zinc/56/73/09/516567309.db2.gz JSXSGJTWFLMWSA-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000531682577 516596637 /nfs/dbraw/zinc/59/66/37/516596637.db2.gz VFOOZCVJWOMAHW-IBGZPJMESA-N 1 3 374.573 2.561 20 0 FFADHO CC(C)CN(CC[NH+](C)C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000523950956 516617584 /nfs/dbraw/zinc/61/75/84/516617584.db2.gz LABJMPZCHHCJJL-UHFFFAOYSA-N 1 3 374.573 2.635 20 0 FFADHO CN1CC=C(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000540557359 516618890 /nfs/dbraw/zinc/61/88/90/516618890.db2.gz JSJIITGBYNLREM-UHFFFAOYSA-N 1 3 356.514 2.734 20 0 FFADHO COCCn1cc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000513495749 516651347 /nfs/dbraw/zinc/65/13/47/516651347.db2.gz UPWLFYIUZWFJND-ICSRJNTNSA-N 1 3 356.514 2.920 20 0 FFADHO COCCn1cc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513495749 516651360 /nfs/dbraw/zinc/65/13/60/516651360.db2.gz UPWLFYIUZWFJND-ICSRJNTNSA-N 1 3 356.514 2.920 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000558382941 516712603 /nfs/dbraw/zinc/71/26/03/516712603.db2.gz VSHWQLWCYZAEOR-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000518594197 516714855 /nfs/dbraw/zinc/71/48/55/516714855.db2.gz SEFNTQDXKFDRRE-UXHICEINSA-N 1 3 358.530 2.868 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)Cc1ccco1 ZINC000561728845 516734642 /nfs/dbraw/zinc/73/46/42/516734642.db2.gz PAXARKZNTMRQQG-GOSISDBHSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)Cc1ccco1 ZINC000561728845 516734651 /nfs/dbraw/zinc/73/46/51/516734651.db2.gz PAXARKZNTMRQQG-GOSISDBHSA-N 1 3 362.518 2.760 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000555075378 516769670 /nfs/dbraw/zinc/76/96/70/516769670.db2.gz YVHWHERYDZFDBC-QAPCUYQASA-N 1 3 366.937 2.974 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000548163161 516800740 /nfs/dbraw/zinc/80/07/40/516800740.db2.gz ZSIQVRHWXYOPMC-BAGYTPMASA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000548163161 516800746 /nfs/dbraw/zinc/80/07/46/516800746.db2.gz ZSIQVRHWXYOPMC-BAGYTPMASA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000548163161 516800752 /nfs/dbraw/zinc/80/07/52/516800752.db2.gz ZSIQVRHWXYOPMC-BAGYTPMASA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)c(F)c1 ZINC000540986283 516816778 /nfs/dbraw/zinc/81/67/78/516816778.db2.gz DMBQPYYQFFYHIZ-MAUKXSAKSA-N 1 3 353.457 2.839 20 0 FFADHO CC[C@H](NCc1ccccc1CN1CC[NH+](CC)CC1)c1ccn(C)n1 ZINC000544580093 516823281 /nfs/dbraw/zinc/82/32/81/516823281.db2.gz IJXORELMAJSZBY-FQEVSTJZSA-N 1 3 355.530 2.799 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCN1CCCC[C@@H]1C ZINC000514087663 516856403 /nfs/dbraw/zinc/85/64/03/516856403.db2.gz IDWWTQALGSUVIY-SJORKVTESA-N 1 3 357.498 2.915 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000514163260 516887949 /nfs/dbraw/zinc/88/79/49/516887949.db2.gz VWQXHBZZFOZAHH-FQEVSTJZSA-N 1 3 360.546 2.723 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000514163260 516887960 /nfs/dbraw/zinc/88/79/60/516887960.db2.gz VWQXHBZZFOZAHH-FQEVSTJZSA-N 1 3 360.546 2.723 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000514168507 516888016 /nfs/dbraw/zinc/88/80/16/516888016.db2.gz YRJABLIKXSSKNG-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514187982 516894548 /nfs/dbraw/zinc/89/45/48/516894548.db2.gz YTBCSXUNWIMGGK-RCLSDMTESA-N 1 3 372.557 2.927 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514187982 516894555 /nfs/dbraw/zinc/89/45/55/516894555.db2.gz YTBCSXUNWIMGGK-RCLSDMTESA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)c1ccc2c(c1)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000548333776 516908593 /nfs/dbraw/zinc/90/85/93/516908593.db2.gz ZJIBYIPGROUVTB-HXUWFJFHSA-N 1 3 360.546 2.932 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC000514228906 516913462 /nfs/dbraw/zinc/91/34/62/516913462.db2.gz LUMDRZLDLQMSOY-IBGZPJMESA-N 1 3 372.557 2.854 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCCCC1 ZINC000536744843 516917003 /nfs/dbraw/zinc/91/70/03/516917003.db2.gz TVIQFPAWKPYPSZ-UHFFFAOYSA-N 1 3 373.545 2.862 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000514239743 516920360 /nfs/dbraw/zinc/92/03/60/516920360.db2.gz RDAODUXZWLTAAV-MOPGFXCFSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000514239743 516920370 /nfs/dbraw/zinc/92/03/70/516920370.db2.gz RDAODUXZWLTAAV-MOPGFXCFSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000519456043 517003198 /nfs/dbraw/zinc/00/31/98/517003198.db2.gz DIEAIODQXVOUFE-IBGZPJMESA-N 1 3 364.534 2.670 20 0 FFADHO CN(CCC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000548503710 517023390 /nfs/dbraw/zinc/02/33/90/517023390.db2.gz FIFRLLXXYGNYKG-NRFANRHFSA-N 1 3 366.509 2.935 20 0 FFADHO CN(CCC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000548503710 517023399 /nfs/dbraw/zinc/02/33/99/517023399.db2.gz FIFRLLXXYGNYKG-NRFANRHFSA-N 1 3 366.509 2.935 20 0 FFADHO CC[NH+](CC)CCOC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532589073 517048980 /nfs/dbraw/zinc/04/89/80/517048980.db2.gz DQJOETQPAINWKX-UHFFFAOYSA-N 1 3 374.529 2.955 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529327677 517085116 /nfs/dbraw/zinc/08/51/16/517085116.db2.gz CGWHIFAFGDKFSR-OALUTQOASA-N 1 3 370.541 2.871 20 0 FFADHO CC(C)[C@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)N1CCCCC1 ZINC000525609467 517089061 /nfs/dbraw/zinc/08/90/61/517089061.db2.gz LEZITXZQRNCPML-HXUWFJFHSA-N 1 3 357.542 2.712 20 0 FFADHO C[C@H](CCNC(=O)CCN1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000541524851 517092636 /nfs/dbraw/zinc/09/26/36/517092636.db2.gz NSHZYPKKVJKYCL-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000529353273 517096496 /nfs/dbraw/zinc/09/64/96/517096496.db2.gz GPIAJALUGWTNNA-RBUKOAKNSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000545302923 517162140 /nfs/dbraw/zinc/16/21/40/517162140.db2.gz MGIJOQBYZWJGKB-IAGOWNOFSA-N 1 3 357.498 2.915 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000515100790 517212375 /nfs/dbraw/zinc/21/23/75/517212375.db2.gz KHCYAZMSGJVNHY-NLWGTHIKSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000515100790 517212382 /nfs/dbraw/zinc/21/23/82/517212382.db2.gz KHCYAZMSGJVNHY-NLWGTHIKSA-N 1 3 360.546 2.925 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CN1Cc1ccccc1 ZINC000541854649 517252929 /nfs/dbraw/zinc/25/29/29/517252929.db2.gz OSHVRBLSDIYZFD-PKOBYXMFSA-N 1 3 352.482 2.687 20 0 FFADHO O=C1CC[C@@H](NCc2cccc(OC3CCCC3)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000515217880 517258586 /nfs/dbraw/zinc/25/85/86/517258586.db2.gz NZXNCZRXDQFXNH-IRLDBZIGSA-N 1 3 371.525 2.744 20 0 FFADHO Cc1c(Cl)cc(F)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000526176571 517367844 /nfs/dbraw/zinc/36/78/44/517367844.db2.gz YUCCQUGDGVZTAT-UHFFFAOYSA-N 1 3 362.852 2.884 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000537962092 517418005 /nfs/dbraw/zinc/41/80/05/517418005.db2.gz KQLAJXKDHFESFR-ONGXBYRLSA-N 1 3 371.525 2.990 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2CCC1CC2)c1cccc(OC)c1 ZINC000556429292 517423680 /nfs/dbraw/zinc/42/36/80/517423680.db2.gz HPRGSGCDQOMPRO-HXUWFJFHSA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[NH2+]C(C)C ZINC000562815994 517429947 /nfs/dbraw/zinc/42/99/47/517429947.db2.gz KRXVESZFFMHHGH-HXUWFJFHSA-N 1 3 360.546 2.928 20 0 FFADHO c1ccc(CN2CC[C@@H](C[NH2+]Cc3cnc(N4CCCC4)nc3)C2)cc1 ZINC000526994419 517438275 /nfs/dbraw/zinc/43/82/75/517438275.db2.gz DMRZQSDZNOFPBW-IBGZPJMESA-N 1 3 351.498 2.689 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000520574913 517441560 /nfs/dbraw/zinc/44/15/60/517441560.db2.gz UKEGRIBLRFMPPN-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000538063700 517455466 /nfs/dbraw/zinc/45/54/66/517455466.db2.gz XDXZQMRTIPAQIY-IBGZPJMESA-N 1 3 360.502 2.848 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H]1CCOC1 ZINC000559891091 517474645 /nfs/dbraw/zinc/47/46/45/517474645.db2.gz NGPMXPSMJKKDTP-TYPHKJRUSA-N 1 3 358.526 2.930 20 0 FFADHO Cc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(-c2ccnn2C)c1 ZINC000549252261 517477361 /nfs/dbraw/zinc/47/73/61/517477361.db2.gz CWFCXCHMYUBROA-UHFFFAOYSA-N 1 3 355.530 2.511 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000530025427 517506774 /nfs/dbraw/zinc/50/67/74/517506774.db2.gz DQLCEWONCORLGV-RTWAWAEBSA-N 1 3 355.526 2.999 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000520771783 517507469 /nfs/dbraw/zinc/50/74/69/517507469.db2.gz ATEMNQZCMUNYMM-IBGZPJMESA-N 1 3 358.530 2.586 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000562977570 517550636 /nfs/dbraw/zinc/55/06/36/517550636.db2.gz BMAHCTZVWGQBPA-QIJUGHKUSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000562977570 517550639 /nfs/dbraw/zinc/55/06/39/517550639.db2.gz BMAHCTZVWGQBPA-QIJUGHKUSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520953341 517559017 /nfs/dbraw/zinc/55/90/17/517559017.db2.gz ZKQWJPDGQUTXHJ-PKOBYXMFSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520953341 517559024 /nfs/dbraw/zinc/55/90/24/517559024.db2.gz ZKQWJPDGQUTXHJ-PKOBYXMFSA-N 1 3 361.505 2.886 20 0 FFADHO C[NH+](C)CCc1ccc(CNC[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000563002585 517572724 /nfs/dbraw/zinc/57/27/24/517572724.db2.gz HGVPSIDBBLETMB-IBGZPJMESA-N 1 3 362.901 2.974 20 0 FFADHO CN1CC[NH+](CCCCN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000542479760 517587791 /nfs/dbraw/zinc/58/77/91/517587791.db2.gz UWOXIDYOQHMTBK-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@@H+]1CCCC[C@H]1C ZINC000516158602 517590477 /nfs/dbraw/zinc/59/04/77/517590477.db2.gz IAYMAEQXOPXCJL-GGPKGHCWSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@H+]1CCCC[C@H]1C ZINC000516158602 517590486 /nfs/dbraw/zinc/59/04/86/517590486.db2.gz IAYMAEQXOPXCJL-GGPKGHCWSA-N 1 3 360.546 2.721 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159373 517612456 /nfs/dbraw/zinc/61/24/56/517612456.db2.gz JVUDLQXESDZQQX-FSSWDIPSSA-N 1 3 357.542 2.836 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159373 517612462 /nfs/dbraw/zinc/61/24/62/517612462.db2.gz JVUDLQXESDZQQX-FSSWDIPSSA-N 1 3 357.542 2.836 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159373 517612470 /nfs/dbraw/zinc/61/24/70/517612470.db2.gz JVUDLQXESDZQQX-FSSWDIPSSA-N 1 3 357.542 2.836 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159373 517612479 /nfs/dbraw/zinc/61/24/79/517612479.db2.gz JVUDLQXESDZQQX-FSSWDIPSSA-N 1 3 357.542 2.836 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000563068815 517632599 /nfs/dbraw/zinc/63/25/99/517632599.db2.gz QEQASLVEZYLBBH-RTBURBONSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000563068815 517632605 /nfs/dbraw/zinc/63/26/05/517632605.db2.gz QEQASLVEZYLBBH-RTBURBONSA-N 1 3 367.578 2.702 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCN3CCCc4ccccc43)CC2)CC1 ZINC000542596555 517645335 /nfs/dbraw/zinc/64/53/35/517645335.db2.gz XVLWXAQQFNKACZ-UHFFFAOYSA-N 1 3 370.585 2.789 20 0 FFADHO CCc1nc(C)c([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000538546444 517664251 /nfs/dbraw/zinc/66/42/51/517664251.db2.gz KLPLEIGYRONEOJ-ZFWWWQNUSA-N 1 3 354.564 2.757 20 0 FFADHO CC(C)c1nc2cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc2o1 ZINC000527375575 517665260 /nfs/dbraw/zinc/66/52/60/517665260.db2.gz PUIODBNOSCVTST-UHFFFAOYSA-N 1 3 361.490 2.908 20 0 FFADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(F)cc1 ZINC000538586972 517680722 /nfs/dbraw/zinc/68/07/22/517680722.db2.gz ILDALRKCUIFBLQ-JXFKEZNVSA-N 1 3 357.473 2.765 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000556887579 517727791 /nfs/dbraw/zinc/72/77/91/517727791.db2.gz YZLLJLIIVUROHI-MYGLTJDJSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556887579 517727801 /nfs/dbraw/zinc/72/78/01/517727801.db2.gz YZLLJLIIVUROHI-MYGLTJDJSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556887579 517727810 /nfs/dbraw/zinc/72/78/10/517727810.db2.gz YZLLJLIIVUROHI-MYGLTJDJSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000556887578 517729395 /nfs/dbraw/zinc/72/93/95/517729395.db2.gz YZLLJLIIVUROHI-FNAHDJPLSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556887578 517729406 /nfs/dbraw/zinc/72/94/06/517729406.db2.gz YZLLJLIIVUROHI-FNAHDJPLSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556887578 517729415 /nfs/dbraw/zinc/72/94/15/517729415.db2.gz YZLLJLIIVUROHI-FNAHDJPLSA-N 1 3 355.526 2.888 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)[C@@H]1c1cccs1 ZINC000563271184 517782959 /nfs/dbraw/zinc/78/29/59/517782959.db2.gz KPEVNAPZIICKRA-FUHWJXTLSA-N 1 3 364.559 2.901 20 0 FFADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1CN1CCCCC1 ZINC000563376204 517861891 /nfs/dbraw/zinc/86/18/91/517861891.db2.gz KDPKVEMBSPVTIR-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1CN1CCCCC1 ZINC000563376204 517861897 /nfs/dbraw/zinc/86/18/97/517861897.db2.gz KDPKVEMBSPVTIR-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000539058791 517897177 /nfs/dbraw/zinc/89/71/77/517897177.db2.gz GXLCUDDAHDMQKS-BHIFYINESA-N 1 3 366.509 2.728 20 0 FFADHO C[C@H](C(=O)N(C)C1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000521962040 517919043 /nfs/dbraw/zinc/91/90/43/517919043.db2.gz IDFSTUZYNYLVNN-GOSISDBHSA-N 1 3 357.542 2.882 20 0 FFADHO NC[C@@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000557223943 517925768 /nfs/dbraw/zinc/92/57/68/517925768.db2.gz OIIVNXXKWGTVAF-TZIWHRDSSA-N 1 3 352.482 2.625 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000563593390 518008659 /nfs/dbraw/zinc/00/86/59/518008659.db2.gz NTLNGZUOAJVOOW-QKNQBKEWSA-N 1 3 358.530 2.858 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000522176927 518019054 /nfs/dbraw/zinc/01/90/54/518019054.db2.gz FIDUFLOGPAEODJ-NHCUHLMSSA-N 1 3 372.557 2.920 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522180625 518019397 /nfs/dbraw/zinc/01/93/97/518019397.db2.gz DSVCUPVPJJSSSU-OAQYLSRUSA-N 1 3 372.557 2.872 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522180625 518019405 /nfs/dbraw/zinc/01/94/05/518019405.db2.gz DSVCUPVPJJSSSU-OAQYLSRUSA-N 1 3 372.557 2.872 20 0 FFADHO COc1ccc2sc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c2c1 ZINC000530881027 518028499 /nfs/dbraw/zinc/02/84/99/518028499.db2.gz WTRAGUHYBXZALT-UHFFFAOYSA-N 1 3 363.527 2.784 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccccc3F)CC2)CC1 ZINC000557548834 518067140 /nfs/dbraw/zinc/06/71/40/518067140.db2.gz ALFFADFQRXJMGN-UHFFFAOYSA-N 1 3 361.505 2.980 20 0 FFADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1CCCO1 ZINC000543400296 518071893 /nfs/dbraw/zinc/07/18/93/518071893.db2.gz APTYLDYQGFBGSY-DYESRHJHSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@H]1CCCO1 ZINC000543400296 518071903 /nfs/dbraw/zinc/07/19/03/518071903.db2.gz APTYLDYQGFBGSY-DYESRHJHSA-N 1 3 362.514 2.833 20 0 FFADHO CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535096308 518151119 /nfs/dbraw/zinc/15/11/19/518151119.db2.gz NLGHZFUFRLQXCP-PMACEKPBSA-N 1 3 373.545 2.696 20 0 FFADHO CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535096308 518151123 /nfs/dbraw/zinc/15/11/23/518151123.db2.gz NLGHZFUFRLQXCP-PMACEKPBSA-N 1 3 373.545 2.696 20 0 FFADHO CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535096333 518151694 /nfs/dbraw/zinc/15/16/94/518151694.db2.gz NLGHZFUFRLQXCP-WOJBJXKFSA-N 1 3 373.545 2.696 20 0 FFADHO CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535096333 518151699 /nfs/dbraw/zinc/15/16/99/518151699.db2.gz NLGHZFUFRLQXCP-WOJBJXKFSA-N 1 3 373.545 2.696 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000528284479 518163947 /nfs/dbraw/zinc/16/39/47/518163947.db2.gz GJIBOPROPYVLCT-UYAOXDASSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000528284479 518163950 /nfs/dbraw/zinc/16/39/50/518163950.db2.gz GJIBOPROPYVLCT-UYAOXDASSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CCN1Cc1ccccc1 ZINC000569611367 518206232 /nfs/dbraw/zinc/20/62/32/518206232.db2.gz SZPMOAWKQPVIRP-AZUAARDMSA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccc(C)n3)CC2)CC1 ZINC000569621997 518209323 /nfs/dbraw/zinc/20/93/23/518209323.db2.gz VGIPPQNAWZMSFJ-UHFFFAOYSA-N 1 3 358.530 2.545 20 0 FFADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000575401614 518211846 /nfs/dbraw/zinc/21/18/46/518211846.db2.gz ASRLERCJPLRBPZ-HNNXBMFYSA-N 1 3 359.495 2.536 20 0 FFADHO Fc1cccnc1N1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000581304499 518220471 /nfs/dbraw/zinc/22/04/71/518220471.db2.gz HCCPYOZJFQZEBB-KLHJMIIUSA-N 1 3 368.456 2.645 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000572557450 518244986 /nfs/dbraw/zinc/24/49/86/518244986.db2.gz XRDMIUVLCBNGPL-MOPGFXCFSA-N 1 3 362.562 2.825 20 0 FFADHO OCc1cn([C@H]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000581415658 518274168 /nfs/dbraw/zinc/27/41/68/518274168.db2.gz DVMDHSCIBVHAIQ-NRFANRHFSA-N 1 3 369.513 2.593 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@]3(F)c3ccccc3)CC2)CC1 ZINC000564099547 518305887 /nfs/dbraw/zinc/30/58/87/518305887.db2.gz LHWSMQRUBKMNDL-IRLDBZIGSA-N 1 3 373.516 2.936 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000572719628 518329882 /nfs/dbraw/zinc/32/98/82/518329882.db2.gz JAGLEBDKZIUIBC-INIZCTEOSA-N 1 3 373.419 2.896 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000575894967 518332863 /nfs/dbraw/zinc/33/28/63/518332863.db2.gz UDDJIWADGIZPCX-QUCCMNQESA-N 1 3 370.497 2.804 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000572749189 518342779 /nfs/dbraw/zinc/34/27/79/518342779.db2.gz DXHZJNPHZPSQAP-FUHWJXTLSA-N 1 3 370.497 2.663 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000575920631 518344180 /nfs/dbraw/zinc/34/41/80/518344180.db2.gz FQATVVMJXIFEGA-UTKZUKDTSA-N 1 3 366.509 2.855 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000575972356 518368343 /nfs/dbraw/zinc/36/83/43/518368343.db2.gz KRADKTSETVVXCH-MTQWCTHYSA-N 1 3 356.514 2.511 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000575985935 518374082 /nfs/dbraw/zinc/37/40/82/518374082.db2.gz HBBRHXCQSMFSNA-HXUWFJFHSA-N 1 3 356.514 2.661 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc2)CC1 ZINC000567147829 518376351 /nfs/dbraw/zinc/37/63/51/518376351.db2.gz FZLYAFWBWNSYPW-DFQSSKMNSA-N 1 3 358.530 2.757 20 0 FFADHO C[C@H]1[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000576055601 518406685 /nfs/dbraw/zinc/40/66/85/518406685.db2.gz RVYQAPKLRSKPQO-FXAWDEMLSA-N 1 3 352.482 2.687 20 0 FFADHO CC(C)[NH2+]CCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000567232876 518420970 /nfs/dbraw/zinc/42/09/70/518420970.db2.gz OETBMLKPUGNJGK-UHFFFAOYSA-N 1 3 359.436 2.984 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570072214 518428082 /nfs/dbraw/zinc/42/80/82/518428082.db2.gz LAEVTXAONLYWSW-YRISNDGFSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000570072214 518428089 /nfs/dbraw/zinc/42/80/89/518428089.db2.gz LAEVTXAONLYWSW-YRISNDGFSA-N 1 3 370.541 2.826 20 0 FFADHO CN(C[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000567378323 518494885 /nfs/dbraw/zinc/49/48/85/518494885.db2.gz YNJZZUBSQASLDH-LJQANCHMSA-N 1 3 365.949 2.597 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000564644300 518542834 /nfs/dbraw/zinc/54/28/34/518542834.db2.gz ACOPZTGTCNVUOB-OXQOHEQNSA-N 1 3 354.498 2.823 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000564644300 518542842 /nfs/dbraw/zinc/54/28/42/518542842.db2.gz ACOPZTGTCNVUOB-OXQOHEQNSA-N 1 3 354.498 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nccn1Cc1ccccc1 ZINC000573215323 518560262 /nfs/dbraw/zinc/56/02/62/518560262.db2.gz FBLGQBMZLMHUQS-OAQYLSRUSA-N 1 3 369.557 2.779 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nccn1Cc1ccccc1 ZINC000573215323 518560266 /nfs/dbraw/zinc/56/02/66/518560266.db2.gz FBLGQBMZLMHUQS-OAQYLSRUSA-N 1 3 369.557 2.779 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)C(F)(F)C3)CC2)CC1 ZINC000573264876 518582626 /nfs/dbraw/zinc/58/26/26/518582626.db2.gz LHLSVDUPZSJSOM-HNNXBMFYSA-N 1 3 357.489 2.686 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000582097303 518585226 /nfs/dbraw/zinc/58/52/26/518585226.db2.gz IYACMMOYSBYJMJ-HNNXBMFYSA-N 1 3 369.351 2.912 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1csc(CC[NH3+])n1 ZINC000576466891 518607332 /nfs/dbraw/zinc/60/73/32/518607332.db2.gz RJAIFZLESJMCOU-UHFFFAOYSA-N 1 3 366.918 2.502 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(C(C)(C)C)c3)CC2)CC1 ZINC000570461672 518618323 /nfs/dbraw/zinc/61/83/23/518618323.db2.gz HESXQMAZRYGHRI-UHFFFAOYSA-N 1 3 361.534 2.773 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])c2)C1=O ZINC000567639637 518627701 /nfs/dbraw/zinc/62/77/01/518627701.db2.gz BDQFZSBQNNLMHH-FQELHTAISA-N 1 3 370.497 2.519 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000570542012 518658473 /nfs/dbraw/zinc/65/84/73/518658473.db2.gz KDWACMDLWKIOJE-SJBKTWHCSA-N 1 3 358.574 2.655 20 0 FFADHO CN(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000570708837 518741936 /nfs/dbraw/zinc/74/19/36/518741936.db2.gz ZIIAGLCQNUSGPT-FCGDIQPGSA-N 1 3 351.922 2.689 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CCCCCN2)cc1 ZINC000565028381 518750720 /nfs/dbraw/zinc/75/07/20/518750720.db2.gz HBEYEWKZCYCXQV-LJQANCHMSA-N 1 3 372.513 2.972 20 0 FFADHO [NH3+]CCOCCN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000576875045 518805668 /nfs/dbraw/zinc/80/56/68/518805668.db2.gz IOSZHHYNNWHKHG-AWEZNQCLSA-N 1 3 350.850 2.545 20 0 FFADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCN(CC2CCC2)CC1 ZINC000565203331 518842363 /nfs/dbraw/zinc/84/23/63/518842363.db2.gz HWSYLYPLHVXSPZ-NRFANRHFSA-N 1 3 355.526 2.843 20 0 FFADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCN(CC2CCC2)CC1 ZINC000565203331 518842367 /nfs/dbraw/zinc/84/23/67/518842367.db2.gz HWSYLYPLHVXSPZ-NRFANRHFSA-N 1 3 355.526 2.843 20 0 FFADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000565227279 518852617 /nfs/dbraw/zinc/85/26/17/518852617.db2.gz UIRWYDSJGCCEKZ-LMMKCTJWSA-N 1 3 359.514 2.998 20 0 FFADHO C[C@H](CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000579845216 518883763 /nfs/dbraw/zinc/88/37/63/518883763.db2.gz XTSNUAFICRVINP-WIYYLYMNSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000571046022 518901469 /nfs/dbraw/zinc/90/14/69/518901469.db2.gz SWFJXVIIRAWVMD-IRLDBZIGSA-N 1 3 370.585 2.799 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccccc2C[NH+]2CCCCC2)no1 ZINC000573953741 518916620 /nfs/dbraw/zinc/91/66/20/518916620.db2.gz GXYOYFKSGBKWPU-UHFFFAOYSA-N 1 3 356.470 2.509 20 0 FFADHO CN1CCN(CCCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000574017510 518947630 /nfs/dbraw/zinc/94/76/30/518947630.db2.gz IYVASZDSCKRVKJ-NQIIRXRSSA-N 1 3 363.521 2.911 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000577176481 518949928 /nfs/dbraw/zinc/94/99/28/518949928.db2.gz TYKGSTCEUQVGOY-BHIYHBOVSA-N 1 3 367.497 2.575 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)c1ccccc1CC1CC[NH2+]CC1 ZINC000571149307 518949911 /nfs/dbraw/zinc/94/99/11/518949911.db2.gz QWYNBLQMCYIUNB-QFIPXVFZSA-N 1 3 363.505 2.846 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000589211403 518952410 /nfs/dbraw/zinc/95/24/10/518952410.db2.gz JELCUDAIEFQETK-QGZVFWFLSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000589211403 518952419 /nfs/dbraw/zinc/95/24/19/518952419.db2.gz JELCUDAIEFQETK-QGZVFWFLSA-N 1 3 360.546 2.853 20 0 FFADHO N[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)c2ccccc21 ZINC000571194295 518972767 /nfs/dbraw/zinc/97/27/67/518972767.db2.gz XFNDZRLGQRIVPL-QIJUGHKUSA-N 1 3 351.494 2.664 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Br)cs1 ZINC000582982675 519019915 /nfs/dbraw/zinc/01/99/15/519019915.db2.gz WRUXZQRGTKVHNO-UHFFFAOYSA-N 1 3 360.365 2.968 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C1 ZINC000568368931 519004665 /nfs/dbraw/zinc/00/46/65/519004665.db2.gz SNVSSKGENJCKLY-FCEUIQTBSA-N 1 3 374.525 2.963 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000568373191 519007291 /nfs/dbraw/zinc/00/72/91/519007291.db2.gz YLMJTPRSFKRANM-AZUAARDMSA-N 1 3 358.530 2.810 20 0 FFADHO CN1CCC[C@H](CNC(=O)COC2CCC([NH3+])CC2)[C@@H]1c1cccs1 ZINC000574154559 519013300 /nfs/dbraw/zinc/01/33/00/519013300.db2.gz JICVAFMJVRIFMM-GKSFYBEXSA-N 1 3 365.543 2.534 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccccc2C[NH+]2CCCCCC2)no1 ZINC000568384540 519013674 /nfs/dbraw/zinc/01/36/74/519013674.db2.gz MDCQZYFKZCSPTH-UHFFFAOYSA-N 1 3 370.497 2.899 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCc3ccccc3O)CC2)CC1 ZINC000565607961 519042880 /nfs/dbraw/zinc/04/28/80/519042880.db2.gz KQHMYSPRVUVFTI-UHFFFAOYSA-N 1 3 373.541 2.589 20 0 FFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000580231088 519071757 /nfs/dbraw/zinc/07/17/57/519071757.db2.gz ODJFNRBCZZKAQL-QFBILLFUSA-N 1 3 360.502 2.718 20 0 FFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCc1ccncc1OCC[NH+](C)C ZINC000574313056 519094525 /nfs/dbraw/zinc/09/45/25/519094525.db2.gz IWDFUAHNMDAPBR-KRWDZBQOSA-N 1 3 370.497 2.553 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000577473970 519098565 /nfs/dbraw/zinc/09/85/65/519098565.db2.gz HOFWQUYNJQGISZ-GVVDHYSOSA-N 1 3 370.541 2.666 20 0 FFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000571463997 519108526 /nfs/dbraw/zinc/10/85/26/519108526.db2.gz OTIOCZDMFJAKDI-NJDAHSKKSA-N 1 3 372.557 2.710 20 0 FFADHO COC1(CCN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCC1 ZINC000565848737 519161253 /nfs/dbraw/zinc/16/12/53/519161253.db2.gz ZZDXNTIRUWUAMS-UHFFFAOYSA-N 1 3 361.530 2.708 20 0 FFADHO CCc1[nH+]c2ccccc2c(N2CCN(CCC(=O)N(C)C)CC2)c1C ZINC000571591422 519169578 /nfs/dbraw/zinc/16/95/78/519169578.db2.gz LRHHZZRQBJKBDB-UHFFFAOYSA-N 1 3 354.498 2.706 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)c1 ZINC000580435720 519175661 /nfs/dbraw/zinc/17/56/61/519175661.db2.gz HDVUZWROGYMPAP-UHFFFAOYSA-N 1 3 364.493 2.749 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000571620996 519184932 /nfs/dbraw/zinc/18/49/32/519184932.db2.gz HEPUIAGKRBYSRV-SFHVURJKSA-N 1 3 361.555 2.947 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000577727321 519225536 /nfs/dbraw/zinc/22/55/36/519225536.db2.gz DENBPVOQCICMBS-GOSISDBHSA-N 1 3 366.509 2.951 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000574667539 519269990 /nfs/dbraw/zinc/26/99/90/519269990.db2.gz IBUHNLRIOBQUPJ-RBUKOAKNSA-N 1 3 358.530 2.668 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[NH2+]1 ZINC000577829110 519275247 /nfs/dbraw/zinc/27/52/47/519275247.db2.gz RAOGSRXIDOUSIC-AEFFLSMTSA-N 1 3 360.502 2.813 20 0 FFADHO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000568929327 519287414 /nfs/dbraw/zinc/28/74/14/519287414.db2.gz YXUGLKLLTSSWIM-INIZCTEOSA-N 1 3 368.953 2.791 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000568974837 519312271 /nfs/dbraw/zinc/31/22/71/519312271.db2.gz CNAQZYHANMGELZ-LJQANCHMSA-N 1 3 356.514 2.506 20 0 FFADHO C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000583629685 519350198 /nfs/dbraw/zinc/35/01/98/519350198.db2.gz WQAPKLVBZQSWMP-LAUBAEHRSA-N 1 3 366.509 2.775 20 0 FFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000578064358 519399452 /nfs/dbraw/zinc/39/94/52/519399452.db2.gz AJYWGQAFVZRQFX-MBSDFSHPSA-N 1 3 368.521 2.898 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000572032864 519409416 /nfs/dbraw/zinc/40/94/16/519409416.db2.gz CBLFMMSVAXASPH-FQEVSTJZSA-N 1 3 352.482 2.782 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000569215817 519438609 /nfs/dbraw/zinc/43/86/09/519438609.db2.gz ZBTJTSJIIMCBGE-IBGZPJMESA-N 1 3 360.546 2.974 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000572173360 519480593 /nfs/dbraw/zinc/48/05/93/519480593.db2.gz ZARHGTDEXHWYLU-INIZCTEOSA-N 1 3 352.482 2.538 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4[nH]c(=O)oc43)CC2)CC1 ZINC000581019883 519482449 /nfs/dbraw/zinc/48/24/49/519482449.db2.gz BZYIPZVUENFLPX-UHFFFAOYSA-N 1 3 372.469 2.668 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000566466883 519507893 /nfs/dbraw/zinc/50/78/93/519507893.db2.gz QERVZSHQPQORQH-QGZVFWFLSA-N 1 3 365.562 2.504 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC(F)(F)CC3)CC2)CC1 ZINC000578377271 519561388 /nfs/dbraw/zinc/56/13/88/519561388.db2.gz KCNJXFLJZYPJRI-UHFFFAOYSA-N 1 3 357.489 2.877 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000591615986 519971107 /nfs/dbraw/zinc/97/11/07/519971107.db2.gz JEZQSEXYQLRNBR-SFHVURJKSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000591615986 519971113 /nfs/dbraw/zinc/97/11/13/519971113.db2.gz JEZQSEXYQLRNBR-SFHVURJKSA-N 1 3 358.530 2.695 20 0 FFADHO CCOc1cc2[nH+]ccc(NCCN3CCN(CC)CC3)c2cc1OCC ZINC000591652810 519985799 /nfs/dbraw/zinc/98/57/99/519985799.db2.gz KBBZPBMKGSEENO-UHFFFAOYSA-N 1 3 372.513 2.504 20 0 FFADHO CC[C@H](Nc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000591828501 520056691 /nfs/dbraw/zinc/05/66/91/520056691.db2.gz ZBBRFGXCRXSEHG-FQEVSTJZSA-N 1 3 358.530 2.552 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608640362 520058429 /nfs/dbraw/zinc/05/84/29/520058429.db2.gz OMMWEWRTKMISFH-PMACEKPBSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000608691742 520084325 /nfs/dbraw/zinc/08/43/25/520084325.db2.gz BXRSWGIPFAFFEQ-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000594950014 520226176 /nfs/dbraw/zinc/22/61/76/520226176.db2.gz WFAOSNPRPAVTMZ-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000594950014 520226182 /nfs/dbraw/zinc/22/61/82/520226182.db2.gz WFAOSNPRPAVTMZ-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000612970602 520248314 /nfs/dbraw/zinc/24/83/14/520248314.db2.gz KKALSYPRWZNPMP-MOPGFXCFSA-N 1 3 356.514 2.573 20 0 FFADHO CCN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000612977273 520252029 /nfs/dbraw/zinc/25/20/29/520252029.db2.gz MHJQXZJKWSDJFY-DFQSSKMNSA-N 1 3 370.541 2.996 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C[C@H]1C ZINC000595074105 520280671 /nfs/dbraw/zinc/28/06/71/520280671.db2.gz VMWHBKPCDXRBKX-MBPVOVBZSA-N 1 3 374.525 2.711 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000600733970 520434119 /nfs/dbraw/zinc/43/41/19/520434119.db2.gz MEZKZXFOHSYJBK-UHFFFAOYSA-N 1 3 368.562 2.961 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(CNCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000600733970 520434121 /nfs/dbraw/zinc/43/41/21/520434121.db2.gz MEZKZXFOHSYJBK-UHFFFAOYSA-N 1 3 368.562 2.961 20 0 FFADHO C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000613375600 520469686 /nfs/dbraw/zinc/46/96/86/520469686.db2.gz ONDUGTKRECTRGX-NQIIRXRSSA-N 1 3 355.526 2.708 20 0 FFADHO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000613375600 520469693 /nfs/dbraw/zinc/46/96/93/520469693.db2.gz ONDUGTKRECTRGX-NQIIRXRSSA-N 1 3 355.526 2.708 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000604201820 520483638 /nfs/dbraw/zinc/48/36/38/520483638.db2.gz KNFOZRVNZNTYOI-NHCUHLMSSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000604201820 520483640 /nfs/dbraw/zinc/48/36/40/520483640.db2.gz KNFOZRVNZNTYOI-NHCUHLMSSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc(Br)c1 ZINC000617504727 520542722 /nfs/dbraw/zinc/54/27/22/520542722.db2.gz HIIYLDQGAKOMRM-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc(Br)c1 ZINC000617504727 520542727 /nfs/dbraw/zinc/54/27/27/520542727.db2.gz HIIYLDQGAKOMRM-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO CCc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1C1CCCC1 ZINC000617507455 520546419 /nfs/dbraw/zinc/54/64/19/520546419.db2.gz XHHJHEFYOMVTPV-INIZCTEOSA-N 1 3 363.550 2.562 20 0 FFADHO CCc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1C1CCCC1 ZINC000617507455 520546425 /nfs/dbraw/zinc/54/64/25/520546425.db2.gz XHHJHEFYOMVTPV-INIZCTEOSA-N 1 3 363.550 2.562 20 0 FFADHO C[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000617978051 520815675 /nfs/dbraw/zinc/81/56/75/520815675.db2.gz OEHZKQHDDUNZSU-KZNAEPCWSA-N 1 3 358.530 2.671 20 0 FFADHO CS[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000593333655 520917181 /nfs/dbraw/zinc/91/71/81/520917181.db2.gz XTRLAIJMQCCXJN-QZTJIDSGSA-N 1 3 368.591 2.518 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606683404 521134233 /nfs/dbraw/zinc/13/42/33/521134233.db2.gz XHEIICFDTMYGLX-CEXWTWQISA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606690258 521138412 /nfs/dbraw/zinc/13/84/12/521138412.db2.gz RDGJIRCDRRZWEP-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606700971 521141100 /nfs/dbraw/zinc/14/11/00/521141100.db2.gz TZLWIJYTATWOEW-KRWDZBQOSA-N 1 3 350.551 2.624 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc2o1 ZINC000593736278 521182157 /nfs/dbraw/zinc/18/21/57/521182157.db2.gz LHMOFAMKGYMWKI-VDZJLULYSA-N 1 3 372.465 2.938 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cc(F)ccc2OC(F)F)CC[NH2+]CC1 ZINC000596655753 521193858 /nfs/dbraw/zinc/19/38/58/521193858.db2.gz YOUPLGIEWMZDHE-LBPRGKRZSA-N 1 3 374.403 2.838 20 0 FFADHO C[N@H+](CCCN1CCCC1)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599396135 521198602 /nfs/dbraw/zinc/19/86/02/521198602.db2.gz GBAWVCUSUFABJI-UHFFFAOYSA-N 1 3 354.535 2.667 20 0 FFADHO C[N@@H+](CCCN1CCCC1)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599396135 521198611 /nfs/dbraw/zinc/19/86/11/521198611.db2.gz GBAWVCUSUFABJI-UHFFFAOYSA-N 1 3 354.535 2.667 20 0 FFADHO CN(CCC[NH+]1CCCC1)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599396135 521198619 /nfs/dbraw/zinc/19/86/19/521198619.db2.gz GBAWVCUSUFABJI-UHFFFAOYSA-N 1 3 354.535 2.667 20 0 FFADHO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000602580153 521422028 /nfs/dbraw/zinc/42/20/28/521422028.db2.gz DEQSSFKPSDKQGX-UHFFFAOYSA-N 1 3 362.514 2.967 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000594316896 521554400 /nfs/dbraw/zinc/55/44/00/521554400.db2.gz HSCXZADDJOYUGP-GUDVDZBRSA-N 1 3 350.551 2.909 20 0 FFADHO C[S@](=O)C1(CNCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000619551826 521766588 /nfs/dbraw/zinc/76/65/88/521766588.db2.gz NNAKRVLXBLWCMO-DEOSSOPVSA-N 1 3 350.528 2.552 20 0 FFADHO COc1cccc(NC(=O)C[C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000635005476 521860147 /nfs/dbraw/zinc/86/01/47/521860147.db2.gz JAYWQIQKUHBCBS-WMZOPIPTSA-N 1 3 355.482 2.962 20 0 FFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)c1 ZINC000635005476 521860154 /nfs/dbraw/zinc/86/01/54/521860154.db2.gz JAYWQIQKUHBCBS-WMZOPIPTSA-N 1 3 355.482 2.962 20 0 FFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000635010569 521865914 /nfs/dbraw/zinc/86/59/14/521865914.db2.gz TVXLPGVZARKKDI-OAHLLOKOSA-N 1 3 354.454 2.826 20 0 FFADHO COc1cccc(NC(=O)C[C@@H](C)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000635011986 521867030 /nfs/dbraw/zinc/86/70/30/521867030.db2.gz RZAWWKNNSNWFAL-OAHLLOKOSA-N 1 3 353.466 2.848 20 0 FFADHO COc1ccc([C@@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N2CCOCC2)cc1 ZINC000623338177 521947537 /nfs/dbraw/zinc/94/75/37/521947537.db2.gz OBRJZAZCEOZXQF-AZUAARDMSA-N 1 3 361.530 2.531 20 0 FFADHO O=c1ccc([C@@H]2OCC[C@H]2NC2CC[NH+](CCc3ccccc3)CC2)c[nH]1 ZINC000623737700 522252379 /nfs/dbraw/zinc/25/23/79/522252379.db2.gz ICDAGEYNTJURGU-IRLDBZIGSA-N 1 3 367.493 2.914 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635443891 522268062 /nfs/dbraw/zinc/26/80/62/522268062.db2.gz LQZKDNKYJKWBIO-MRXNPFEDSA-N 1 3 371.447 2.937 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635443891 522268067 /nfs/dbraw/zinc/26/80/67/522268067.db2.gz LQZKDNKYJKWBIO-MRXNPFEDSA-N 1 3 371.447 2.937 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635448395 522271524 /nfs/dbraw/zinc/27/15/24/522271524.db2.gz XPYYGHGOYSWLPY-MRXNPFEDSA-N 1 3 371.447 2.937 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635448395 522271527 /nfs/dbraw/zinc/27/15/27/522271527.db2.gz XPYYGHGOYSWLPY-MRXNPFEDSA-N 1 3 371.447 2.937 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C12CCC[NH+](CCC1)C2 ZINC000635451707 522274021 /nfs/dbraw/zinc/27/40/21/522274021.db2.gz AYXKADABYUZKOX-KRWDZBQOSA-N 1 3 361.555 2.952 20 0 FFADHO CCc1nc(C(C)C)ccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000629516773 522294555 /nfs/dbraw/zinc/29/45/55/522294555.db2.gz PJUYANUTQVEBTQ-UWJYYQICSA-N 1 3 372.557 2.848 20 0 FFADHO Fc1cc(Cl)ccc1N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000629548221 522304469 /nfs/dbraw/zinc/30/44/69/522304469.db2.gz WLAPMGXFTDDXNJ-UOVPBQLFSA-N 1 3 367.896 2.805 20 0 FFADHO C(c1nc(C2CCCCC2)no1)C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000629552058 522307021 /nfs/dbraw/zinc/30/70/21/522307021.db2.gz ZKCCDISUFBVVAF-SFHVURJKSA-N 1 3 374.529 2.893 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635650953 522423387 /nfs/dbraw/zinc/42/33/87/522423387.db2.gz GIPSJWKRHOSULY-UYAOXDASSA-N 1 3 355.526 2.889 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000632956252 522425620 /nfs/dbraw/zinc/42/56/20/522425620.db2.gz VCCUZVBMHWQNLF-SFHVURJKSA-N 1 3 360.502 2.686 20 0 FFADHO CN(C)CC[NH2+]Cc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1 ZINC000629735414 522426234 /nfs/dbraw/zinc/42/62/34/522426234.db2.gz VSZKRURRZYFIDU-UHFFFAOYSA-N 1 3 366.553 2.752 20 0 FFADHO CN1CCC(n2cc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)cn2)CC1 ZINC000632962357 522431207 /nfs/dbraw/zinc/43/12/07/522431207.db2.gz ZVMHFLMNWOHYPQ-LJQANCHMSA-N 1 3 370.501 2.752 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000620825359 522474263 /nfs/dbraw/zinc/47/42/63/522474263.db2.gz FLYOOSWGEJFXQQ-PZJWPPBQSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000620825359 522474273 /nfs/dbraw/zinc/47/42/73/522474273.db2.gz FLYOOSWGEJFXQQ-PZJWPPBQSA-N 1 3 372.557 2.930 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624120765 522491451 /nfs/dbraw/zinc/49/14/51/522491451.db2.gz GKTLEAKKORBICF-JKSUJKDBSA-N 1 3 353.532 2.831 20 0 FFADHO CCN(CC[NH3+])C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000626930309 522536104 /nfs/dbraw/zinc/53/61/04/522536104.db2.gz OFYJNZBELWKOFF-UHFFFAOYSA-N 1 3 354.498 2.905 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)N(C)C)cc1 ZINC000627037748 522609466 /nfs/dbraw/zinc/60/94/66/522609466.db2.gz UPPJXXRTRCNIDO-HHXXYDBFSA-N 1 3 362.518 2.516 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000627045812 522614321 /nfs/dbraw/zinc/61/43/21/522614321.db2.gz VZEXKGZUAKKJTD-DLBZAZTESA-N 1 3 362.543 2.595 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000627129202 522667856 /nfs/dbraw/zinc/66/78/56/522667856.db2.gz UOKSGNHQCGEQBQ-HZPDHXFCSA-N 1 3 350.894 2.527 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000627197714 522709993 /nfs/dbraw/zinc/70/99/93/522709993.db2.gz FMTOYRVZCFSWBL-UMGGQSCQSA-N 1 3 358.530 2.821 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000637014844 523366966 /nfs/dbraw/zinc/36/69/66/523366966.db2.gz JFANXKMLELFTOI-IHPCNDPISA-N 1 3 358.530 2.996 20 0 FFADHO CN1CCC(n2cc(NC(=O)NCCCCC[NH+]3CCCC3)cn2)CC1 ZINC000637173784 523465383 /nfs/dbraw/zinc/46/53/83/523465383.db2.gz JXTDENSZVFGOSJ-UHFFFAOYSA-N 1 3 362.522 2.537 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)[C@@H](C)C1 ZINC000637371360 523591284 /nfs/dbraw/zinc/59/12/84/523591284.db2.gz DCNGBENPICIAMY-WDSOQIARSA-N 1 3 350.551 2.765 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)[C@@H](C)C1 ZINC000637371360 523591289 /nfs/dbraw/zinc/59/12/89/523591289.db2.gz DCNGBENPICIAMY-WDSOQIARSA-N 1 3 350.551 2.765 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)C[C@@](C)(O)C2CC2)[C@@H]1c1cccs1 ZINC000634705426 523592262 /nfs/dbraw/zinc/59/22/62/523592262.db2.gz AMBZSOCUSPTUIW-YCEFEEMOSA-N 1 3 352.544 2.633 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)C[C@@](C)(O)C2CC2)[C@@H]1c1cccs1 ZINC000634705426 523592273 /nfs/dbraw/zinc/59/22/73/523592273.db2.gz AMBZSOCUSPTUIW-YCEFEEMOSA-N 1 3 352.544 2.633 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634734049 523620600 /nfs/dbraw/zinc/62/06/00/523620600.db2.gz VRPVCXZGEZNXGS-LSDHHAIUSA-N 1 3 363.502 2.789 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000669110413 567880343 /nfs/dbraw/zinc/88/03/43/567880343.db2.gz MMJITKQARZHXOU-FUUYNRHESA-N 1 3 370.541 2.509 20 0 FFADHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000736453013 598716162 /nfs/dbraw/zinc/71/61/62/598716162.db2.gz KCSQMGXNFHEWKL-UHFFFAOYSA-N 1 3 360.481 2.950 20 0 FFADHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000736453013 598716164 /nfs/dbraw/zinc/71/61/64/598716164.db2.gz KCSQMGXNFHEWKL-UHFFFAOYSA-N 1 3 360.481 2.950 20 0 FFADHO c1cc2c(cc[nH+]c2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164982196 722102078 /nfs/dbraw/zinc/10/20/78/722102078.db2.gz MZMPTWFCROCIPR-YLJYHZDGSA-N 1 3 363.465 2.685 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145869797 728742786 /nfs/dbraw/zinc/74/27/86/728742786.db2.gz PFNHRRXYFVSJFU-QGZVFWFLSA-N 1 3 362.587 2.845 20 0 FFADHO CC(C)C[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236707150 729554863 /nfs/dbraw/zinc/55/48/63/729554863.db2.gz YNZXDHHCDKCCAD-GOSISDBHSA-N 1 3 367.921 2.673 20 0 FFADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423366888 729861278 /nfs/dbraw/zinc/86/12/78/729861278.db2.gz CKBUEOFSDDYUEF-SZMVWBNQSA-N 1 3 365.543 2.782 20 0 FFADHO CC(C)(O)C[NH+]1CCC(NCCc2nc(-c3ccccn3)cs2)CC1 ZINC000638873678 730049678 /nfs/dbraw/zinc/04/96/78/730049678.db2.gz RXLAFXRRDOAJHO-UHFFFAOYSA-N 1 3 360.527 2.573 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000639354739 730076697 /nfs/dbraw/zinc/07/66/97/730076697.db2.gz LIARONAISACECF-INIZCTEOSA-N 1 3 369.912 2.883 20 0 FFADHO O[C@@H](COc1ccccc1Cl)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681902 730094715 /nfs/dbraw/zinc/09/47/15/730094715.db2.gz HROFOKLEUJXABJ-QGZVFWFLSA-N 1 3 361.873 2.687 20 0 FFADHO C[NH+](C)CC1(CNC[C@@H](O)COCc2ccc(Cl)cc2)CCCC1 ZINC000644622732 730488327 /nfs/dbraw/zinc/48/83/27/730488327.db2.gz LQPDLKQRXUXHAK-GOSISDBHSA-N 1 3 354.922 2.929 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000862273503 730684554 /nfs/dbraw/zinc/68/45/54/730684554.db2.gz IJIDOGQORXZFOK-SOUVJXGZSA-N 1 3 359.461 2.848 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000862273503 730684555 /nfs/dbraw/zinc/68/45/55/730684555.db2.gz IJIDOGQORXZFOK-SOUVJXGZSA-N 1 3 359.461 2.848 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368787 730692912 /nfs/dbraw/zinc/69/29/12/730692912.db2.gz NINYOCSDJLRGDX-KFWWJZLASA-N 1 3 361.477 2.903 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368787 730692914 /nfs/dbraw/zinc/69/29/14/730692914.db2.gz NINYOCSDJLRGDX-KFWWJZLASA-N 1 3 361.477 2.903 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000647938949 730776145 /nfs/dbraw/zinc/77/61/45/730776145.db2.gz XLSLJBCWRACRDX-TZMCWYRMSA-N 1 3 354.292 2.837 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCCC1CC[NH2+]CC1)c1ccsc1 ZINC000652127620 731168854 /nfs/dbraw/zinc/16/88/54/731168854.db2.gz ZFSVNFCXMNKGIJ-QGZVFWFLSA-N 1 3 352.548 2.820 20 0 FFADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(c3ccccc3OC(F)F)C1)[NH2+]2 ZINC000925506636 738511221 /nfs/dbraw/zinc/51/12/21/738511221.db2.gz VOOXWAYNWCYVNI-JKJDWNRSSA-N 1 3 351.441 2.985 20 0 FFADHO CC1(C)C[C@@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C[C@@H]([NH3+])C1 ZINC000925515249 738511999 /nfs/dbraw/zinc/51/19/99/738511999.db2.gz QUTHMXJJWKOENQ-IPYPFGDCSA-N 1 3 354.878 2.640 20 0 FFADHO Brc1ccsc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925763320 738528630 /nfs/dbraw/zinc/52/86/30/738528630.db2.gz SAKMJVXKSJHWBC-FPMFFAJLSA-N 1 3 359.333 2.800 20 0 FFADHO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000872138290 731733077 /nfs/dbraw/zinc/73/30/77/731733077.db2.gz VDVMTPUCZUFIQP-KUHUBIRLSA-N 1 3 350.503 2.978 20 0 FFADHO Brc1cnn(C2(C[NH2+][C@H]3CCNC[C@H]3C3CCCC3)CC2)c1 ZINC000925840389 738534866 /nfs/dbraw/zinc/53/48/66/738534866.db2.gz VWMXMUFMZFOAHC-HOTGVXAUSA-N 1 3 367.335 2.893 20 0 FFADHO COCc1csc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000657318595 731769776 /nfs/dbraw/zinc/76/97/76/731769776.db2.gz RNLXMHBNBSRWEK-UHFFFAOYSA-N 1 3 359.539 2.932 20 0 FFADHO O=C1O[C@@H](CN[C@H]2CCSc3c(F)cccc32)CC12CC[NH2+]CC2 ZINC000925852146 738536839 /nfs/dbraw/zinc/53/68/39/738536839.db2.gz GWQAJBJYSMPROH-DOMZBBRYSA-N 1 3 350.459 2.638 20 0 FFADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Br)cn1 ZINC000658106423 731848219 /nfs/dbraw/zinc/84/82/19/731848219.db2.gz HPAHIKWUOPRJOB-UONOGXRCSA-N 1 3 357.340 2.767 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1([NH3+])CCCC1 ZINC000659570584 731988651 /nfs/dbraw/zinc/98/86/51/731988651.db2.gz IPBDNBGORLDFLN-UHFFFAOYSA-N 1 3 352.910 2.685 20 0 FFADHO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660660676 732130953 /nfs/dbraw/zinc/13/09/53/732130953.db2.gz AJYHAECQKWQCLD-APWZRJJASA-N 1 3 352.906 2.806 20 0 FFADHO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660660676 732130954 /nfs/dbraw/zinc/13/09/54/732130954.db2.gz AJYHAECQKWQCLD-APWZRJJASA-N 1 3 352.906 2.806 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NCCc1ccc(Cl)cc1 ZINC000662294296 732294413 /nfs/dbraw/zinc/29/44/13/732294413.db2.gz KRWLPMDBHHDEJV-SFHVURJKSA-N 1 3 363.933 2.710 20 0 FFADHO O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000662312215 732295752 /nfs/dbraw/zinc/29/57/52/732295752.db2.gz XOKZDFRLMUCHPC-LJQANCHMSA-N 1 3 365.543 2.673 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000877159619 732329516 /nfs/dbraw/zinc/32/95/16/732329516.db2.gz ZYLGICXIXYTTSI-DLBZAZTESA-N 1 3 360.889 2.510 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662789557 732354882 /nfs/dbraw/zinc/35/48/82/732354882.db2.gz ZRLRKLFJXIVUEA-UHFFFAOYSA-N 1 3 364.877 2.726 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCc1ccc(Cl)cc1 ZINC000665757661 732752291 /nfs/dbraw/zinc/75/22/91/732752291.db2.gz ROVKDDLJRSZSQS-INIZCTEOSA-N 1 3 368.953 2.796 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCc1ccc(Cl)cc1 ZINC000665757661 732752297 /nfs/dbraw/zinc/75/22/97/732752297.db2.gz ROVKDDLJRSZSQS-INIZCTEOSA-N 1 3 368.953 2.796 20 0 FFADHO Cc1cc(Br)c(CNCCC[N@H+]2CCCN(C)CC2)s1 ZINC000666259059 732824219 /nfs/dbraw/zinc/82/42/19/732824219.db2.gz TZOIEZHPFCLSAO-UHFFFAOYSA-N 1 3 360.365 2.936 20 0 FFADHO Cc1cc(Br)c(CNCCC[N@@H+]2CCCN(C)CC2)s1 ZINC000666259059 732824223 /nfs/dbraw/zinc/82/42/23/732824223.db2.gz TZOIEZHPFCLSAO-UHFFFAOYSA-N 1 3 360.365 2.936 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C[C@H](O)c1cc(Br)no1 ZINC000880517388 732918479 /nfs/dbraw/zinc/91/84/79/732918479.db2.gz PUYJBMXSYCIVKD-ZDUSSCGKSA-N 1 3 360.296 2.668 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[NH2+]C2CC2)c2cccs2)CC1 ZINC000668644741 733149092 /nfs/dbraw/zinc/14/90/92/733149092.db2.gz RWUHKBDGEJUZCB-INIZCTEOSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000883359235 733372710 /nfs/dbraw/zinc/37/27/10/733372710.db2.gz BEOKVIVHDNPDOM-SMDDNHRTSA-N 1 3 370.362 2.836 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000891349977 734417926 /nfs/dbraw/zinc/41/79/26/734417926.db2.gz YUPOUJDKVRLOHS-HUUCEWRRSA-N 1 3 374.501 2.675 20 0 FFADHO C[NH+]1CCC(CN2CCN(CCOc3ccccc3Cl)CC2)CC1 ZINC000891541582 734442932 /nfs/dbraw/zinc/44/29/32/734442932.db2.gz CDUZFVUQVGXQEJ-UHFFFAOYSA-N 1 3 351.922 2.678 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)N(C)C)cc1 ZINC000891922039 734495281 /nfs/dbraw/zinc/49/52/81/734495281.db2.gz BZZCUUVJRCHLGM-JENIJYKNSA-N 1 3 362.543 2.595 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cn3ccnc3s2)CC1 ZINC000892144215 734520989 /nfs/dbraw/zinc/52/09/89/734520989.db2.gz MNVLXVNMPDLXST-UHFFFAOYSA-N 1 3 350.532 2.966 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cn3ccnc3s2)CC1 ZINC000892144215 734520995 /nfs/dbraw/zinc/52/09/95/734520995.db2.gz MNVLXVNMPDLXST-UHFFFAOYSA-N 1 3 350.532 2.966 20 0 FFADHO COc1ccc(OC)c([C@@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000728572242 734531903 /nfs/dbraw/zinc/53/19/03/734531903.db2.gz UZFKDPHXCVRJCO-IBGZPJMESA-N 1 3 350.503 2.789 20 0 FFADHO COc1ccc(OC)c([C@@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000728572242 734531907 /nfs/dbraw/zinc/53/19/07/734531907.db2.gz UZFKDPHXCVRJCO-IBGZPJMESA-N 1 3 350.503 2.789 20 0 FFADHO CS(=O)(=O)CC1(CN[C@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902346529 735935102 /nfs/dbraw/zinc/93/51/02/735935102.db2.gz IJXINZRWGOVBCO-MRXNPFEDSA-N 1 3 360.470 2.549 20 0 FFADHO O=C(Cc1ccc(Cl)cc1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903879596 736182801 /nfs/dbraw/zinc/18/28/01/736182801.db2.gz FMNUEAOATRHTOM-JLYLLQBASA-N 1 3 361.917 2.557 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCC2)[C@@H]1c1cccs1 ZINC000905135902 736301224 /nfs/dbraw/zinc/30/12/24/736301224.db2.gz XHKDGGSJWZUXSC-SOLBZPMBSA-N 1 3 352.544 2.777 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCC2)[C@@H]1c1cccs1 ZINC000905135902 736301228 /nfs/dbraw/zinc/30/12/28/736301228.db2.gz XHKDGGSJWZUXSC-SOLBZPMBSA-N 1 3 352.544 2.777 20 0 FFADHO C[C@H]1C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)CN1Cc1ccccc1 ZINC000757542651 736408967 /nfs/dbraw/zinc/40/89/67/736408967.db2.gz NLOCYJMPEVBEHP-FUHWJXTLSA-N 1 3 362.587 2.701 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000906710604 736535909 /nfs/dbraw/zinc/53/59/09/736535909.db2.gz IXXNLRCZNFCATI-ZWKOTPCHSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000906710604 736535910 /nfs/dbraw/zinc/53/59/10/736535910.db2.gz IXXNLRCZNFCATI-ZWKOTPCHSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)ncc1F ZINC000762747489 736863681 /nfs/dbraw/zinc/86/36/81/736863681.db2.gz MTGKXCDTJAOALV-STQMWFEESA-N 1 3 374.298 2.871 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)ncc1F ZINC000762747489 736863686 /nfs/dbraw/zinc/86/36/86/736863686.db2.gz MTGKXCDTJAOALV-STQMWFEESA-N 1 3 374.298 2.871 20 0 FFADHO O[C@@H](CN1CCC[C@@H]1Cc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000920762149 737925499 /nfs/dbraw/zinc/92/54/99/737925499.db2.gz LATXZCJGHNIUQN-QZTJIDSGSA-N 1 3 367.331 2.913 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(C(F)F)nc3)C2)[C@@H]1C(C)C ZINC000922391853 738136303 /nfs/dbraw/zinc/13/63/03/738136303.db2.gz BDDIOWILLIODJG-VXNCWWDNSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(C(F)F)nc3)C2)[C@@H]1C(C)C ZINC000922391853 738136307 /nfs/dbraw/zinc/13/63/07/738136307.db2.gz BDDIOWILLIODJG-VXNCWWDNSA-N 1 3 353.457 2.979 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)CC1 ZINC000933443467 739627045 /nfs/dbraw/zinc/62/70/45/739627045.db2.gz RUILWMCXXCBENX-HXUWFJFHSA-N 1 3 367.965 2.639 20 0 FFADHO COc1c(C)cc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000796761416 740180940 /nfs/dbraw/zinc/18/09/40/740180940.db2.gz FCXNHJFWGGYAMX-GJZGRUSLSA-N 1 3 367.921 2.895 20 0 FFADHO C[C@@H](NC1CCN(CC[NH+](C)C)CC1)c1nc(Br)ccc1F ZINC000798181601 740310226 /nfs/dbraw/zinc/31/02/26/740310226.db2.gz XDESZSWXJPXKGF-GFCCVEGCSA-N 1 3 373.314 2.660 20 0 FFADHO CN(C)C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802720741 740720391 /nfs/dbraw/zinc/72/03/91/740720391.db2.gz MEHMACIQGAIEDX-INIZCTEOSA-N 1 3 370.994 2.995 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=S)NCC[NH+](C)C)N(C)C)cc1 ZINC000806602879 741073542 /nfs/dbraw/zinc/07/35/42/741073542.db2.gz CZUCCRBPPOPHCT-GOSISDBHSA-N 1 3 350.576 2.514 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(CCC(F)(F)F)CC3)CC[N@@H+]1C ZINC000990765744 741728080 /nfs/dbraw/zinc/72/80/80/741728080.db2.gz SYDYLZLKBMKTEY-HWMZRRJGSA-N 1 3 361.452 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(CCC(F)(F)F)CC3)CC[N@H+]1C ZINC000990765744 741728083 /nfs/dbraw/zinc/72/80/83/741728083.db2.gz SYDYLZLKBMKTEY-HWMZRRJGSA-N 1 3 361.452 2.782 20 0 FFADHO Fc1cc(Br)ccc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817902231 742221200 /nfs/dbraw/zinc/22/12/00/742221200.db2.gz LLQWYIWYXSFJCV-DJIMGWMZSA-N 1 3 371.294 2.877 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000817928883 742222983 /nfs/dbraw/zinc/22/29/83/742222983.db2.gz HFICEVHRTZKRIC-QBPKDAKJSA-N 1 3 353.304 2.993 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000819175067 742348036 /nfs/dbraw/zinc/34/80/36/742348036.db2.gz SWCGSZFGFFTLDK-RCCFBDPRSA-N 1 3 373.324 2.994 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000819264818 742364461 /nfs/dbraw/zinc/36/44/61/742364461.db2.gz GLCDVTLYTDBRSG-WMLDXEAASA-N 1 3 360.420 2.829 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000819264818 742364465 /nfs/dbraw/zinc/36/44/65/742364465.db2.gz GLCDVTLYTDBRSG-WMLDXEAASA-N 1 3 360.420 2.829 20 0 FFADHO C[C@H](C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)CN1CCCCC1 ZINC000823677491 742959911 /nfs/dbraw/zinc/95/99/11/742959911.db2.gz VGHNRXJMANHDKJ-UWVAXJGDSA-N 1 3 351.535 2.955 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC001045044058 743245751 /nfs/dbraw/zinc/24/57/51/743245751.db2.gz SRYMYBVILIGPOA-XOKHGSTOSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC001045044058 743245757 /nfs/dbraw/zinc/24/57/57/743245757.db2.gz SRYMYBVILIGPOA-XOKHGSTOSA-N 1 3 367.896 2.900 20 0 FFADHO CCCN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCN(C)C1 ZINC000826644974 743415123 /nfs/dbraw/zinc/41/51/23/743415123.db2.gz RCEZOLVHLJJKDS-ACBHZAAOSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2CCC(C[NH+](C)C)CC2)cc(Cl)n1 ZINC000831431565 745528560 /nfs/dbraw/zinc/52/85/60/745528560.db2.gz OJCGRTPITOJDMB-BCLQGDPASA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC2([NH+](C)C)CCCCC2)cc(Cl)n1 ZINC000831774680 745582315 /nfs/dbraw/zinc/58/23/15/745582315.db2.gz VPXVMOBKIGUFKD-HNNXBMFYSA-N 1 3 352.910 2.814 20 0 FFADHO FC(F)Sc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070198 747263882 /nfs/dbraw/zinc/26/38/82/747263882.db2.gz MASWMEXDTGYNTD-ZDUSSCGKSA-N 1 3 369.403 2.927 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc(Cl)n1 ZINC000843506423 747845952 /nfs/dbraw/zinc/84/59/52/747845952.db2.gz CDHPUYSVDZNBCP-SJORKVTESA-N 1 3 358.873 2.518 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000844171861 747983077 /nfs/dbraw/zinc/98/30/77/747983077.db2.gz MKKTZHHXGCKBSQ-SQWLQELKSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000844171861 747983079 /nfs/dbraw/zinc/98/30/79/747983079.db2.gz MKKTZHHXGCKBSQ-SQWLQELKSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000844171858 747983175 /nfs/dbraw/zinc/98/31/75/747983175.db2.gz MKKTZHHXGCKBSQ-IIAWOOMASA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000844171858 747983176 /nfs/dbraw/zinc/98/31/76/747983176.db2.gz MKKTZHHXGCKBSQ-IIAWOOMASA-N 1 3 352.910 2.812 20 0 FFADHO C[C@@H]1CN(CCCCCC[NH3+])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000846219220 748432474 /nfs/dbraw/zinc/43/24/74/748432474.db2.gz LDLQEZRFKPTIPG-MRXNPFEDSA-N 1 3 351.922 2.934 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)cc2)C1 ZINC001104810068 970873531 /nfs/dbraw/zinc/87/35/31/970873531.db2.gz ZISONTTUBGDYCV-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1 ZINC001104938039 971187300 /nfs/dbraw/zinc/18/73/00/971187300.db2.gz NIDMYFSXUIQFLF-OXQOHEQNSA-N 1 3 360.546 2.614 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000136573513 971545457 /nfs/dbraw/zinc/54/54/57/971545457.db2.gz AEXGBFZPNKFKET-QZTJIDSGSA-N 1 3 358.486 2.836 20 0 FFADHO CS[C@H](C)CC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275854526 1013092371 /nfs/dbraw/zinc/09/23/71/1013092371.db2.gz SXZLPFNQYDIYCE-OXQOHEQNSA-N 1 3 361.555 2.680 20 0 FFADHO CS[C@H](C)CC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275854526 1013092386 /nfs/dbraw/zinc/09/23/86/1013092386.db2.gz SXZLPFNQYDIYCE-OXQOHEQNSA-N 1 3 361.555 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648835242 1013093279 /nfs/dbraw/zinc/09/32/79/1013093279.db2.gz JNFOKUDIVZQDCO-NZSAHSFTSA-N 1 3 367.497 2.609 20 0 FFADHO C[C@@H]1[C@H](C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648835242 1013093297 /nfs/dbraw/zinc/09/32/97/1013093297.db2.gz JNFOKUDIVZQDCO-NZSAHSFTSA-N 1 3 367.497 2.609 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087992716 971735290 /nfs/dbraw/zinc/73/52/90/971735290.db2.gz IHDQEFWCHNLJIX-QHAWAJNXSA-N 1 3 355.526 2.616 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087992716 971735297 /nfs/dbraw/zinc/73/52/97/971735297.db2.gz IHDQEFWCHNLJIX-QHAWAJNXSA-N 1 3 355.526 2.616 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000660450344 971939220 /nfs/dbraw/zinc/93/92/20/971939220.db2.gz ROILOJRYFZKDRD-NEWSRXKRSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000660450344 971939223 /nfs/dbraw/zinc/93/92/23/971939223.db2.gz ROILOJRYFZKDRD-NEWSRXKRSA-N 1 3 358.530 2.994 20 0 FFADHO CC(C)N1CCN(c2ccc(-c3cccc(N4CC[NH2+]CC4)c3)cn2)CC1 ZINC001205907915 1032061483 /nfs/dbraw/zinc/06/14/83/1032061483.db2.gz GLYIUTZFVATHTD-UHFFFAOYSA-N 1 3 365.525 2.689 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C[C@@H](C)O1 ZINC000660541692 972186291 /nfs/dbraw/zinc/18/62/91/972186291.db2.gz XPFPZXWUFODWBU-KCZVDYSFSA-N 1 3 357.542 2.694 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C[C@@H](C)O1 ZINC000660541692 972186295 /nfs/dbraw/zinc/18/62/95/972186295.db2.gz XPFPZXWUFODWBU-KCZVDYSFSA-N 1 3 357.542 2.694 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCC[NH+]3CCCC3)c(C)c2)CC1 ZINC000043526508 972190157 /nfs/dbraw/zinc/19/01/57/972190157.db2.gz GSTNYCDBDBNNAK-UHFFFAOYSA-N 1 3 373.545 2.744 20 0 FFADHO Cn1cc(N2CCC[C@H](N3CCC[C@@H](C[C@H]([NH3+])C4CCCC4)C3)C2=O)cn1 ZINC000872156674 1013158373 /nfs/dbraw/zinc/15/83/73/1013158373.db2.gz LABWEYFVPBJSEN-VDGAXYAQSA-N 1 3 373.545 2.535 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(C)cn3)CC2)CC1 ZINC000655024043 959295597 /nfs/dbraw/zinc/29/55/97/959295597.db2.gz YPGFJSHPHJBGHP-UHFFFAOYSA-N 1 3 358.530 2.545 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc3ccccc3c1)C2 ZINC000660653303 972442220 /nfs/dbraw/zinc/44/22/20/972442220.db2.gz APXOHVNJTOKQDY-UNMCSNQZSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc3ccccc3c1)C2 ZINC000660653303 972442227 /nfs/dbraw/zinc/44/22/27/972442227.db2.gz APXOHVNJTOKQDY-UNMCSNQZSA-N 1 3 354.494 2.997 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC000969704160 959782196 /nfs/dbraw/zinc/78/21/96/959782196.db2.gz MMSUHMYYBJMAHX-RZQQEMMASA-N 1 3 366.509 2.512 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC000969704160 959782207 /nfs/dbraw/zinc/78/22/07/959782207.db2.gz MMSUHMYYBJMAHX-RZQQEMMASA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000652367760 960387643 /nfs/dbraw/zinc/38/76/43/960387643.db2.gz OEWXXXWTWNOMNA-WIYYLYMNSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000652367760 960387656 /nfs/dbraw/zinc/38/76/56/960387656.db2.gz OEWXXXWTWNOMNA-WIYYLYMNSA-N 1 3 370.541 2.634 20 0 FFADHO [NH3+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000647043816 961221397 /nfs/dbraw/zinc/22/13/97/961221397.db2.gz DQCQZOLXBPNXTR-HXUWFJFHSA-N 1 3 358.530 2.661 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001095417193 1013320038 /nfs/dbraw/zinc/32/00/38/1013320038.db2.gz JNVAZMPBBVANAC-NQYYFHDYSA-N 1 3 351.510 2.722 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001095417193 1013320047 /nfs/dbraw/zinc/32/00/47/1013320047.db2.gz JNVAZMPBBVANAC-NQYYFHDYSA-N 1 3 351.510 2.722 20 0 FFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCCO1 ZINC000655349342 962562310 /nfs/dbraw/zinc/56/23/10/962562310.db2.gz PQKCZQYPZANHEY-WOJBJXKFSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001087134961 963084906 /nfs/dbraw/zinc/08/49/06/963084906.db2.gz MIEBZZCMFXUNHW-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO Cc1cc(C(=O)NC2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)c(C)o1 ZINC000873204797 1013426710 /nfs/dbraw/zinc/42/67/10/1013426710.db2.gz IQGNNKXAYJWDSL-UHFFFAOYSA-N 1 3 373.522 2.998 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCCCCC3)[C@H]2C1 ZINC001083215064 963559326 /nfs/dbraw/zinc/55/93/26/963559326.db2.gz GKTXMPKPOQJOBP-YSIASYRMSA-N 1 3 365.562 2.599 20 0 FFADHO CCC(CC)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCCCCC3)[C@H]2C1 ZINC001083215064 963559331 /nfs/dbraw/zinc/55/93/31/963559331.db2.gz GKTXMPKPOQJOBP-YSIASYRMSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873222773 1013434020 /nfs/dbraw/zinc/43/40/20/1013434020.db2.gz CCQNVAPAUURYTO-HXUWFJFHSA-N 1 3 364.534 2.648 20 0 FFADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000873223620 1013434372 /nfs/dbraw/zinc/43/43/72/1013434372.db2.gz PLJLSRYDKFCHGN-JOCHJYFZSA-N 1 3 373.541 2.885 20 0 FFADHO CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873247148 1013447478 /nfs/dbraw/zinc/44/74/78/1013447478.db2.gz ISSZIIJBGPZEMY-OAHLLOKOSA-N 1 3 351.454 2.976 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1csc(Br)c1)CC2 ZINC001279506124 963990380 /nfs/dbraw/zinc/99/03/80/963990380.db2.gz RUKRNGPBEKYZTF-UHFFFAOYSA-N 1 3 372.376 2.970 20 0 FFADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000664407700 964282278 /nfs/dbraw/zinc/28/22/78/964282278.db2.gz JZWOUTYQSWDFAM-YWZLYKJASA-N 1 3 365.481 2.529 20 0 FFADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000664407700 964282281 /nfs/dbraw/zinc/28/22/81/964282281.db2.gz JZWOUTYQSWDFAM-YWZLYKJASA-N 1 3 365.481 2.529 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cc(N)ccn2)CC1 ZINC000891569126 964502748 /nfs/dbraw/zinc/50/27/48/964502748.db2.gz OXYUKLVFBMSWND-OAHLLOKOSA-N 1 3 353.470 2.689 20 0 FFADHO Cc1ccncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001087175465 965101194 /nfs/dbraw/zinc/10/11/94/965101194.db2.gz PDNWVXLIZDVEMR-UZLBHIALSA-N 1 3 358.530 2.591 20 0 FFADHO CC(C)N1CC[NH+](C2CCN(c3cc[nH+]c4c([O-])cccc34)CC2)CC1 ZINC000684579029 965469743 /nfs/dbraw/zinc/46/97/43/965469743.db2.gz CCDOBCYZOOOJFA-UHFFFAOYSA-N 1 3 354.498 2.935 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C2CC2)cc1F ZINC000664939885 966023863 /nfs/dbraw/zinc/02/38/63/966023863.db2.gz JNUCUXOVWCCTCW-HNNXBMFYSA-N 1 3 364.509 2.774 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C2CC2)cc1F ZINC000664939885 966023879 /nfs/dbraw/zinc/02/38/79/966023879.db2.gz JNUCUXOVWCCTCW-HNNXBMFYSA-N 1 3 364.509 2.774 20 0 FFADHO CCn1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000892151289 966083975 /nfs/dbraw/zinc/08/39/75/966083975.db2.gz QSHLNHKGKZIMQI-UHFFFAOYSA-N 1 3 361.578 2.840 20 0 FFADHO O=C1[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2CN1c1ccccc1 ZINC001167988714 966102448 /nfs/dbraw/zinc/10/24/48/966102448.db2.gz NQYPXYQDMZDAQB-GCONPWAGSA-N 1 3 365.521 2.987 20 0 FFADHO O=C1[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2CN1c1ccccc1 ZINC001167988714 966102455 /nfs/dbraw/zinc/10/24/55/966102455.db2.gz NQYPXYQDMZDAQB-GCONPWAGSA-N 1 3 365.521 2.987 20 0 FFADHO N=C(N)N(c1ccc(F)cc1)c1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001167994303 967177516 /nfs/dbraw/zinc/17/75/16/967177516.db2.gz GWVXKDIJQNJJMO-UHFFFAOYSA-N 1 3 370.432 2.731 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000647978582 967197808 /nfs/dbraw/zinc/19/78/08/967197808.db2.gz VAPFSHZTPIDGCY-RBUKOAKNSA-N 1 3 355.526 2.894 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC001029313899 967693585 /nfs/dbraw/zinc/69/35/85/967693585.db2.gz RLSYQNXQMYTNPM-MDMSPXHWSA-N 1 3 369.500 2.827 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCCC(F)(F)C2)CC[N@H+]1C ZINC001029313899 967693598 /nfs/dbraw/zinc/69/35/98/967693598.db2.gz RLSYQNXQMYTNPM-MDMSPXHWSA-N 1 3 369.500 2.827 20 0 FFADHO Cc1cc(F)ccc1CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023377896 967759115 /nfs/dbraw/zinc/75/91/15/967759115.db2.gz WZOQENJZSBXYAD-MBOZVWFJSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(F)ccc1CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023377896 967759126 /nfs/dbraw/zinc/75/91/26/967759126.db2.gz WZOQENJZSBXYAD-MBOZVWFJSA-N 1 3 361.505 2.803 20 0 FFADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650765088 967765421 /nfs/dbraw/zinc/76/54/21/967765421.db2.gz ZDKWPKVYPFQXKA-JBYIUTFZSA-N 1 3 365.477 2.608 20 0 FFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2ccc(CN)nc2C)cc1F ZINC000665259920 967891664 /nfs/dbraw/zinc/89/16/64/967891664.db2.gz VGAKITCPUMDTEI-DCPHZVHLSA-N 1 3 372.488 2.793 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166062 968250878 /nfs/dbraw/zinc/25/08/78/968250878.db2.gz BWWVMAJFNBMEMR-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C3CCC3)CC2)N(C)C)cc1 ZINC000892409614 968346762 /nfs/dbraw/zinc/34/67/62/968346762.db2.gz JCXRXLPECSLSAU-HXUWFJFHSA-N 1 3 358.530 2.914 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000658144509 968551338 /nfs/dbraw/zinc/55/13/38/968551338.db2.gz MHSYNYDLXWHCKV-HNAYVOBHSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000658144509 968551339 /nfs/dbraw/zinc/55/13/39/968551339.db2.gz MHSYNYDLXWHCKV-HNAYVOBHSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001024446941 968913596 /nfs/dbraw/zinc/91/35/96/968913596.db2.gz LVDYHIRGSNQGTD-LSTHTHJFSA-N 1 3 368.525 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001024446941 968913602 /nfs/dbraw/zinc/91/36/02/968913602.db2.gz LVDYHIRGSNQGTD-LSTHTHJFSA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C)nc1C ZINC001087796483 969100451 /nfs/dbraw/zinc/10/04/51/969100451.db2.gz BONSBNUDYVSHPB-YZGWKJHDSA-N 1 3 358.530 2.509 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C)nc1C ZINC001087796483 969100457 /nfs/dbraw/zinc/10/04/57/969100457.db2.gz BONSBNUDYVSHPB-YZGWKJHDSA-N 1 3 358.530 2.509 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892496326 969151282 /nfs/dbraw/zinc/15/12/82/969151282.db2.gz LMAFCPIMDAEGES-GOSISDBHSA-N 1 3 364.509 2.677 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659029356 969644190 /nfs/dbraw/zinc/64/41/90/969644190.db2.gz HMIXARNVZNPZCI-APWZRJJASA-N 1 3 374.529 2.980 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659029356 969644194 /nfs/dbraw/zinc/64/41/94/969644194.db2.gz HMIXARNVZNPZCI-APWZRJJASA-N 1 3 374.529 2.980 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033091 969649994 /nfs/dbraw/zinc/64/99/94/969649994.db2.gz HZNHYSTXECKISK-MOPGFXCFSA-N 1 3 360.502 2.734 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033091 969649997 /nfs/dbraw/zinc/64/99/97/969649997.db2.gz HZNHYSTXECKISK-MOPGFXCFSA-N 1 3 360.502 2.734 20 0 FFADHO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647651369 969918655 /nfs/dbraw/zinc/91/86/55/969918655.db2.gz JNZJXBZBCXBBBB-ICSRJNTNSA-N 1 3 361.505 2.980 20 0 FFADHO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647651369 969918659 /nfs/dbraw/zinc/91/86/59/969918659.db2.gz JNZJXBZBCXBBBB-ICSRJNTNSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccsc2)C1)N(C)C ZINC001104641164 970010078 /nfs/dbraw/zinc/01/00/78/970010078.db2.gz CHTBXOJIYLTJLH-KBAYOESNSA-N 1 3 351.560 2.909 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001104678826 970087668 /nfs/dbraw/zinc/08/76/68/970087668.db2.gz CSOFATVFUHIKIZ-ZHALLVOQSA-N 1 3 361.505 2.742 20 0 FFADHO Cc1cc(C)cc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001104728954 970181550 /nfs/dbraw/zinc/18/15/50/970181550.db2.gz JIEGWZTZWMSCDA-IEBWSBKVSA-N 1 3 354.498 2.843 20 0 FFADHO COc1cccc(-c2csc(CNC[C@@H](C)C[NH+]3CCN(C)CC3)n2)c1 ZINC000892927217 970377246 /nfs/dbraw/zinc/37/72/46/970377246.db2.gz CHEBNZIILHVLLL-MRXNPFEDSA-N 1 3 374.554 2.792 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C2)cc1 ZINC001088095295 972734950 /nfs/dbraw/zinc/73/49/50/972734950.db2.gz FOMQHOLTFJAUEO-BHIFYINESA-N 1 3 371.569 2.904 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C2)cc1 ZINC001088095295 972734958 /nfs/dbraw/zinc/73/49/58/972734958.db2.gz FOMQHOLTFJAUEO-BHIFYINESA-N 1 3 371.569 2.904 20 0 FFADHO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c1 ZINC001088105881 972821286 /nfs/dbraw/zinc/82/12/86/972821286.db2.gz GHATYOHXJASTNM-BWAGFHJFSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c1 ZINC001088105881 972821294 /nfs/dbraw/zinc/82/12/94/972821294.db2.gz GHATYOHXJASTNM-BWAGFHJFSA-N 1 3 369.553 2.871 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@@H+](CCC4CC4)CC[C@@H]3C2)C1 ZINC001088106581 972824570 /nfs/dbraw/zinc/82/45/70/972824570.db2.gz IEIXVLHIIJABJE-LQWHRVPQSA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@H+](CCC4CC4)CC[C@@H]3C2)C1 ZINC001088106581 972824576 /nfs/dbraw/zinc/82/45/76/972824576.db2.gz IEIXVLHIIJABJE-LQWHRVPQSA-N 1 3 365.537 2.779 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CCN(C/C=C/Cl)C[C@H]3C2)cc1 ZINC001088141956 973073305 /nfs/dbraw/zinc/07/33/05/973073305.db2.gz LPYKTXMGENALKJ-FMVAGCEISA-N 1 3 361.917 2.895 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166302 973280226 /nfs/dbraw/zinc/28/02/26/973280226.db2.gz USDZEVYIVDGFNG-AABGKKOBSA-N 1 3 365.537 2.637 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637689 973784755 /nfs/dbraw/zinc/78/47/55/973784755.db2.gz LPRYKSMLHNQYQB-LSDHHAIUSA-N 1 3 370.488 2.939 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637689 973784764 /nfs/dbraw/zinc/78/47/64/973784764.db2.gz LPRYKSMLHNQYQB-LSDHHAIUSA-N 1 3 370.488 2.939 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000661507706 974396996 /nfs/dbraw/zinc/39/69/96/974396996.db2.gz SVNCASPIVAVNJO-QRQLOZEOSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000661507706 974397004 /nfs/dbraw/zinc/39/70/04/974397004.db2.gz SVNCASPIVAVNJO-QRQLOZEOSA-N 1 3 358.530 2.821 20 0 FFADHO O=C(NCCC1CC[NH2+]CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000652152559 974638779 /nfs/dbraw/zinc/63/87/79/974638779.db2.gz QSWKUIDVXCMFOI-HXUWFJFHSA-N 1 3 358.530 2.903 20 0 FFADHO CCN(C(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652345679 974940971 /nfs/dbraw/zinc/94/09/71/974940971.db2.gz IMYPJYRRPYRKHJ-PNYFIKQUSA-N 1 3 359.514 2.646 20 0 FFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360481 974997658 /nfs/dbraw/zinc/99/76/58/974997658.db2.gz JAXXIXHBRDEHSG-VBSBHUPXSA-N 1 3 359.514 2.567 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000661955295 975011850 /nfs/dbraw/zinc/01/18/50/975011850.db2.gz FMLIUHMBCFFGOI-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000661955295 975011856 /nfs/dbraw/zinc/01/18/56/975011856.db2.gz FMLIUHMBCFFGOI-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CN(Cc1ccccc1N1CCOCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662261529 975387508 /nfs/dbraw/zinc/38/75/08/975387508.db2.gz ZOIAFTOLIWRLOF-UHFFFAOYSA-N 1 3 351.494 2.801 20 0 FFADHO COc1ccc(OCc2ccccn2)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666954613 975403220 /nfs/dbraw/zinc/40/32/20/975403220.db2.gz YUEDMPPYURPFRZ-HXUWFJFHSA-N 1 3 353.466 2.901 20 0 FFADHO COc1ccccc1N1CC[C@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662293052 975407773 /nfs/dbraw/zinc/40/77/73/975407773.db2.gz JBLDQXGZHOIZRW-MJGOQNOKSA-N 1 3 357.498 2.512 20 0 FFADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662298168 975411006 /nfs/dbraw/zinc/41/10/06/975411006.db2.gz UTKBDTMQYDMXQR-FQEVSTJZSA-N 1 3 373.541 2.592 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000653194807 1014259344 /nfs/dbraw/zinc/25/93/44/1014259344.db2.gz YLCGIVCACOYPTN-JZWVFAODSA-N 1 3 369.553 2.917 20 0 FFADHO COc1cc2c(cc1CN1CCC([C@@H]3C[C@H]([NH3+])CCO3)CC1)O[C@H](C)C2 ZINC000667053170 975774196 /nfs/dbraw/zinc/77/41/96/975774196.db2.gz FWLKXMBDFMFKOW-DJKXOVBDSA-N 1 3 360.498 2.737 20 0 FFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001087429399 975797624 /nfs/dbraw/zinc/79/76/24/975797624.db2.gz HRVUTIYAZLICPT-PWRODBHTSA-N 1 3 357.542 2.959 20 0 FFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001087429399 975797641 /nfs/dbraw/zinc/79/76/41/975797641.db2.gz HRVUTIYAZLICPT-PWRODBHTSA-N 1 3 357.542 2.959 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000653260862 1014288166 /nfs/dbraw/zinc/28/81/66/1014288166.db2.gz MAIOFSLUFQNEGV-NJDAHSKKSA-N 1 3 371.525 2.783 20 0 FFADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1Cc1nc2c(s1)CNCC2 ZINC000663493510 976048555 /nfs/dbraw/zinc/04/85/55/976048555.db2.gz INZPUDRLWMTFJS-PKOBYXMFSA-N 1 3 370.566 2.961 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(Cc3cccc4cccnc43)CC2)CC[N@@H+]1C ZINC000981193965 976334193 /nfs/dbraw/zinc/33/41/93/976334193.db2.gz KBKWUWFPJHMVAW-YLJYHZDGSA-N 1 3 366.509 2.609 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(Cc3cccc4cccnc43)CC2)CC[N@H+]1C ZINC000981193965 976334206 /nfs/dbraw/zinc/33/42/06/976334206.db2.gz KBKWUWFPJHMVAW-YLJYHZDGSA-N 1 3 366.509 2.609 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C/C=C\c2ccccc2)C3)CC[N@@H+]1C ZINC000981780992 976789257 /nfs/dbraw/zinc/78/92/57/976789257.db2.gz UCLJUMAOCYZMMA-OXKNWPCVSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C/C=C\c2ccccc2)C3)CC[N@H+]1C ZINC000981780992 976789265 /nfs/dbraw/zinc/78/92/65/976789265.db2.gz UCLJUMAOCYZMMA-OXKNWPCVSA-N 1 3 367.537 2.964 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663697825 976877905 /nfs/dbraw/zinc/87/79/05/976877905.db2.gz QOMFPWDRHQBMAK-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663697825 976877914 /nfs/dbraw/zinc/87/79/14/976877914.db2.gz QOMFPWDRHQBMAK-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO COc1cccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@@H](N(C)C)C3)CC2)c1 ZINC001167857155 976906788 /nfs/dbraw/zinc/90/67/88/976906788.db2.gz LFPIQGDLENNHIX-RBUKOAKNSA-N 1 3 359.514 2.762 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ncccc2C)CC3)CC[N@@H+]1C ZINC000990759567 976932152 /nfs/dbraw/zinc/93/21/52/976932152.db2.gz DABUVIDWWICKCM-UFGBVDADSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ncccc2C)CC3)CC[N@H+]1C ZINC000990759567 976932159 /nfs/dbraw/zinc/93/21/59/976932159.db2.gz DABUVIDWWICKCM-UFGBVDADSA-N 1 3 370.541 2.734 20 0 FFADHO CCC(CC)(CNC(=O)c1c(CN)cnn1C)[NH2+][C@H](C)c1ccccc1 ZINC000876762574 1014382712 /nfs/dbraw/zinc/38/27/12/1014382712.db2.gz CVPJCNAXAAZXCX-OAHLLOKOSA-N 1 3 357.502 2.518 20 0 FFADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000876774414 1014387598 /nfs/dbraw/zinc/38/75/98/1014387598.db2.gz VGZDQEGCDGHIDL-QGZVFWFLSA-N 1 3 355.486 2.738 20 0 FFADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000894067231 977651476 /nfs/dbraw/zinc/65/14/76/977651476.db2.gz IJVAXYQHWQBDHE-UHFFFAOYSA-N 1 3 363.506 2.731 20 0 FFADHO CCCN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCN(C)C1 ZINC000645137394 977825773 /nfs/dbraw/zinc/82/57/73/977825773.db2.gz UXIXAMZIEXTDHA-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCc3noc4ccccc43)CC2)CC1 ZINC000653769051 1014442396 /nfs/dbraw/zinc/44/23/96/1014442396.db2.gz QRMKEBZCJUBYGY-UHFFFAOYSA-N 1 3 356.514 2.862 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCc3noc4ccccc43)CC2)CC1 ZINC000653769051 1014442401 /nfs/dbraw/zinc/44/24/01/1014442401.db2.gz QRMKEBZCJUBYGY-UHFFFAOYSA-N 1 3 356.514 2.862 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCc3ccns3)C2)CC[N@@H+]1C ZINC001088317388 979140465 /nfs/dbraw/zinc/14/04/65/979140465.db2.gz AAJQBPGCNOLEDI-RYQLBKOJSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCc3ccns3)C2)CC[N@H+]1C ZINC001088317388 979140471 /nfs/dbraw/zinc/14/04/71/979140471.db2.gz AAJQBPGCNOLEDI-RYQLBKOJSA-N 1 3 364.559 2.734 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)cc1 ZINC001076243643 979275902 /nfs/dbraw/zinc/27/59/02/979275902.db2.gz AZOSHILKDQHYDP-JRGCBEDISA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)cc1 ZINC001076243643 979275905 /nfs/dbraw/zinc/27/59/05/979275905.db2.gz AZOSHILKDQHYDP-JRGCBEDISA-N 1 3 355.526 2.624 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CCC5)cc4)C[C@H]32)C1 ZINC001076567742 979665534 /nfs/dbraw/zinc/66/55/34/979665534.db2.gz HELZFJKJQYASRF-FDFHNCONSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CCC5)cc4)C[C@H]32)C1 ZINC001076567742 979665538 /nfs/dbraw/zinc/66/55/38/979665538.db2.gz HELZFJKJQYASRF-FDFHNCONSA-N 1 3 367.537 2.939 20 0 FFADHO CC(C)N1CCCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000668101344 979696976 /nfs/dbraw/zinc/69/69/76/979696976.db2.gz NVDFCYMNQHBJBS-NRFANRHFSA-N 1 3 357.542 2.884 20 0 FFADHO CC(C)N1CCCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000668101344 979696983 /nfs/dbraw/zinc/69/69/83/979696983.db2.gz NVDFCYMNQHBJBS-NRFANRHFSA-N 1 3 357.542 2.884 20 0 FFADHO COC(=O)c1cccc2c(CNCCC[N@@H+]3CCCO[C@@H](C)C3)ccnc12 ZINC000877477234 1014594796 /nfs/dbraw/zinc/59/47/96/1014594796.db2.gz AUBHHQYOZBXQDG-INIZCTEOSA-N 1 3 371.481 2.612 20 0 FFADHO COC(=O)c1cccc2c(CNCCC[N@H+]3CCCO[C@@H](C)C3)ccnc12 ZINC000877477234 1014594804 /nfs/dbraw/zinc/59/48/04/1014594804.db2.gz AUBHHQYOZBXQDG-INIZCTEOSA-N 1 3 371.481 2.612 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904647834 980317671 /nfs/dbraw/zinc/31/76/71/980317671.db2.gz HDGHBHKZZKPNIT-HNNXBMFYSA-N 1 3 353.470 2.887 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097983 980387121 /nfs/dbraw/zinc/38/71/21/980387121.db2.gz PQKJQVDLJWDQNX-RTWAWAEBSA-N 1 3 360.542 2.587 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097983 980387127 /nfs/dbraw/zinc/38/71/27/980387127.db2.gz PQKJQVDLJWDQNX-RTWAWAEBSA-N 1 3 360.542 2.587 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097983 980387132 /nfs/dbraw/zinc/38/71/32/980387132.db2.gz PQKJQVDLJWDQNX-RTWAWAEBSA-N 1 3 360.542 2.587 20 0 FFADHO Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)ccn1 ZINC001211914386 980751779 /nfs/dbraw/zinc/75/17/79/980751779.db2.gz ACJAOXXXKWFBKE-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)ccn1 ZINC001211914386 980751783 /nfs/dbraw/zinc/75/17/83/980751783.db2.gz ACJAOXXXKWFBKE-SFHVURJKSA-N 1 3 361.449 2.629 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664705 981196190 /nfs/dbraw/zinc/19/61/90/981196190.db2.gz KOXNAIJOZPECHL-IBGZPJMESA-N 1 3 373.545 2.562 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664705 981196192 /nfs/dbraw/zinc/19/61/92/981196192.db2.gz KOXNAIJOZPECHL-IBGZPJMESA-N 1 3 373.545 2.562 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)c1 ZINC001075906022 981276718 /nfs/dbraw/zinc/27/67/18/981276718.db2.gz FSTIAVCRGWAIGM-IRFCIJBXSA-N 1 3 371.525 2.602 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@H+]4C)[C@@H]3C2)c1 ZINC001075906022 981276721 /nfs/dbraw/zinc/27/67/21/981276721.db2.gz FSTIAVCRGWAIGM-IRFCIJBXSA-N 1 3 371.525 2.602 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000654509796 1014739999 /nfs/dbraw/zinc/73/99/99/1014739999.db2.gz NONDYRMCJIBXLD-FYQPLNBISA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000654509796 1014740006 /nfs/dbraw/zinc/74/00/06/1014740006.db2.gz NONDYRMCJIBXLD-FYQPLNBISA-N 1 3 356.514 2.748 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000650706597 1014744769 /nfs/dbraw/zinc/74/47/69/1014744769.db2.gz OHCJTDHZOARCPY-AQNXPRMDSA-N 1 3 352.482 2.862 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@H]2C)c1 ZINC001088653827 982196879 /nfs/dbraw/zinc/19/68/79/982196879.db2.gz JTOYJAUNLQFPJL-QUCCMNQESA-N 1 3 355.526 2.950 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCN1C ZINC000925325869 982923689 /nfs/dbraw/zinc/92/36/89/982923689.db2.gz UAFBAJXWWDEKEX-KVPLUYHFSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCN1C ZINC000925325869 982923693 /nfs/dbraw/zinc/92/36/93/982923693.db2.gz UAFBAJXWWDEKEX-KVPLUYHFSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCCc1ccsc1 ZINC001088702853 983018344 /nfs/dbraw/zinc/01/83/44/983018344.db2.gz NDBKIMQKVJWZRP-AEFFLSMTSA-N 1 3 361.555 2.888 20 0 FFADHO CN(C)Cc1cccc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1 ZINC000072985482 983970208 /nfs/dbraw/zinc/97/02/08/983970208.db2.gz HSGDJNVXGOWSBI-UHFFFAOYSA-N 1 3 353.510 2.995 20 0 FFADHO CC[C@H]1CN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000669389224 984512414 /nfs/dbraw/zinc/51/24/14/984512414.db2.gz ZRZIQLVOPSLURD-LPHOPBHVSA-N 1 3 358.530 2.592 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@@H]1CCCO1)CC2 ZINC001107454912 984560126 /nfs/dbraw/zinc/56/01/26/984560126.db2.gz PVAFTXWGTASZPL-WAOWUJCRSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@@H]1CCCO1)CC2 ZINC001107454912 984560130 /nfs/dbraw/zinc/56/01/30/984560130.db2.gz PVAFTXWGTASZPL-WAOWUJCRSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)N2CCCC2)cc1 ZINC000669427475 984573294 /nfs/dbraw/zinc/57/32/94/984573294.db2.gz KFILXGKKFZIUFH-SXLOBPIMSA-N 1 3 356.514 2.525 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001107485316 984589418 /nfs/dbraw/zinc/58/94/18/984589418.db2.gz UFAXOQJBWHPPIF-KFCKZDIZSA-N 1 3 365.949 2.974 20 0 FFADHO CC1(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[NH2+]CC1 ZINC000669483629 984652130 /nfs/dbraw/zinc/65/21/30/984652130.db2.gz FPMZVLOPTHBDQX-IBGZPJMESA-N 1 3 358.530 2.903 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107549963 984667099 /nfs/dbraw/zinc/66/70/99/984667099.db2.gz KOTYYDBRTXRLBH-QKNQBKEWSA-N 1 3 365.562 2.506 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)CN3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107549963 984667104 /nfs/dbraw/zinc/66/71/04/984667104.db2.gz KOTYYDBRTXRLBH-QKNQBKEWSA-N 1 3 365.562 2.506 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCC(C)C)CC2)N(C)C ZINC001107554609 984685584 /nfs/dbraw/zinc/68/55/84/984685584.db2.gz GJBIBDAWZXGDCZ-QKNQBKEWSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCC(C)C)CC2)N(C)C ZINC001107554609 984685586 /nfs/dbraw/zinc/68/55/86/984685586.db2.gz GJBIBDAWZXGDCZ-QKNQBKEWSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@H]1CCCCO1)CC2 ZINC001107582057 984731367 /nfs/dbraw/zinc/73/13/67/984731367.db2.gz UICXUWGCWKGCBE-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@H]1CCCCO1)CC2 ZINC001107582057 984731372 /nfs/dbraw/zinc/73/13/72/984731372.db2.gz UICXUWGCWKGCBE-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1C)CC2 ZINC001107582955 984735195 /nfs/dbraw/zinc/73/51/95/984735195.db2.gz IBILLTNUTMQAAX-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1C)CC2 ZINC001107582955 984735202 /nfs/dbraw/zinc/73/52/02/984735202.db2.gz IBILLTNUTMQAAX-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669562561 984784331 /nfs/dbraw/zinc/78/43/31/984784331.db2.gz MDQZQFOXJHNKRM-HSALFYBXSA-N 1 3 358.530 2.536 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2 ZINC001107617682 984840869 /nfs/dbraw/zinc/84/08/69/984840869.db2.gz NSQHJXCYAVPDHC-SJLPKXTDSA-N 1 3 357.489 2.734 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2 ZINC001107617682 984840887 /nfs/dbraw/zinc/84/08/87/984840887.db2.gz NSQHJXCYAVPDHC-SJLPKXTDSA-N 1 3 357.489 2.734 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2cccc(F)c2)CC1 ZINC000997597352 985584112 /nfs/dbraw/zinc/58/41/12/985584112.db2.gz SSYQOWAQVPPGMP-RZQQEMMASA-N 1 3 361.505 2.883 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2cccc(F)c2)CC1 ZINC000997597352 985584117 /nfs/dbraw/zinc/58/41/17/985584117.db2.gz SSYQOWAQVPPGMP-RZQQEMMASA-N 1 3 361.505 2.883 20 0 FFADHO C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743380 985683048 /nfs/dbraw/zinc/68/30/48/985683048.db2.gz WGHGXWTULVSLHG-AWEZNQCLSA-N 1 3 367.453 2.531 20 0 FFADHO C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743380 985683056 /nfs/dbraw/zinc/68/30/56/985683056.db2.gz WGHGXWTULVSLHG-AWEZNQCLSA-N 1 3 367.453 2.531 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCCN(Cc2cccnc2)CC1 ZINC000998018609 985892688 /nfs/dbraw/zinc/89/26/88/985892688.db2.gz PTKYYLMOCWYUSR-YZGWKJHDSA-N 1 3 358.530 2.625 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCCN(Cc2cccnc2)CC1 ZINC000998018609 985892703 /nfs/dbraw/zinc/89/27/03/985892703.db2.gz PTKYYLMOCWYUSR-YZGWKJHDSA-N 1 3 358.530 2.625 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206027242 1032112549 /nfs/dbraw/zinc/11/25/49/1032112549.db2.gz VGQBPQCYCLPZRC-XPHWWTOTSA-N 1 3 352.425 2.958 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403120 986140804 /nfs/dbraw/zinc/14/08/04/986140804.db2.gz CMMXKXADJKUGPG-FBYXPACISA-N 1 3 365.562 2.811 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403120 986140806 /nfs/dbraw/zinc/14/08/06/986140806.db2.gz CMMXKXADJKUGPG-FBYXPACISA-N 1 3 365.562 2.811 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403121 986140888 /nfs/dbraw/zinc/14/08/88/986140888.db2.gz CMMXKXADJKUGPG-ODWICZQRSA-N 1 3 365.562 2.811 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403121 986140891 /nfs/dbraw/zinc/14/08/91/986140891.db2.gz CMMXKXADJKUGPG-ODWICZQRSA-N 1 3 365.562 2.811 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CCc2ccccc2C1 ZINC000518137222 986377940 /nfs/dbraw/zinc/37/79/40/986377940.db2.gz ADWRXNCXUUNOGH-RBBKRZOGSA-N 1 3 370.541 2.608 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)CCN1Cc1ccccc1 ZINC000379629143 986393538 /nfs/dbraw/zinc/39/35/38/986393538.db2.gz OFRPHNHUBLGOGO-HKUYNNGSSA-N 1 3 362.477 2.837 20 0 FFADHO CN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000669872787 986535543 /nfs/dbraw/zinc/53/55/43/986535543.db2.gz RBOBCTGVNADLNN-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000669872787 986535544 /nfs/dbraw/zinc/53/55/44/986535544.db2.gz RBOBCTGVNADLNN-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO c1cc(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n(-c2cc[nH+]cc2)n1 ZINC000826083867 1015283961 /nfs/dbraw/zinc/28/39/61/1015283961.db2.gz OBCFXEWYRAYYGP-APWZRJJASA-N 1 3 354.454 2.775 20 0 FFADHO c1cc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n(-c2ccncc2)n1 ZINC000826083867 1015283968 /nfs/dbraw/zinc/28/39/68/1015283968.db2.gz OBCFXEWYRAYYGP-APWZRJJASA-N 1 3 354.454 2.775 20 0 FFADHO c1cc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n(-c2ccncc2)n1 ZINC000826083867 1015283972 /nfs/dbraw/zinc/28/39/72/1015283972.db2.gz OBCFXEWYRAYYGP-APWZRJJASA-N 1 3 354.454 2.775 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1)N(C)C ZINC001106633602 988538582 /nfs/dbraw/zinc/53/85/82/988538582.db2.gz ONCZYILKMCMEOS-BZUAXINKSA-N 1 3 365.484 2.989 20 0 FFADHO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)s1 ZINC001106672083 988619657 /nfs/dbraw/zinc/61/96/57/988619657.db2.gz DEYXSEQTTYVEDP-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO Cc1cccc(CCC[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001106705023 988727555 /nfs/dbraw/zinc/72/75/55/988727555.db2.gz NRUBYQJOAHRDJT-IEBWSBKVSA-N 1 3 354.498 2.578 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000673706921 989181012 /nfs/dbraw/zinc/18/10/12/989181012.db2.gz RLANTFDLJVBCNU-LEWJYISDSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000673706921 989181016 /nfs/dbraw/zinc/18/10/16/989181016.db2.gz RLANTFDLJVBCNU-LEWJYISDSA-N 1 3 370.541 2.777 20 0 FFADHO CCCc1nc(CNC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)cs1 ZINC001106840596 989551728 /nfs/dbraw/zinc/55/17/28/989551728.db2.gz WCFCYQMTLRKMDR-HZPDHXFCSA-N 1 3 366.575 2.622 20 0 FFADHO CCCc1nc(CNC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)cs1 ZINC001106840596 989551734 /nfs/dbraw/zinc/55/17/34/989551734.db2.gz WCFCYQMTLRKMDR-HZPDHXFCSA-N 1 3 366.575 2.622 20 0 FFADHO C[C@@]12CN(C(=O)c3ccc4c(c3)CNC4)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702042207 989916433 /nfs/dbraw/zinc/91/64/33/989916433.db2.gz CNMFRFGDDPJVLC-JTHBVZDNSA-N 1 3 361.489 2.884 20 0 FFADHO C[C@@]12CN(C(=O)c3ccc4c(c3)CNC4)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702042207 989916440 /nfs/dbraw/zinc/91/64/40/989916440.db2.gz CNMFRFGDDPJVLC-JTHBVZDNSA-N 1 3 361.489 2.884 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000675113695 990052874 /nfs/dbraw/zinc/05/28/74/990052874.db2.gz ODSVNQOYEDXECF-WIYYLYMNSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000675113695 990052881 /nfs/dbraw/zinc/05/28/81/990052881.db2.gz ODSVNQOYEDXECF-WIYYLYMNSA-N 1 3 370.541 2.695 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc2O1 ZINC000675511486 990296015 /nfs/dbraw/zinc/29/60/15/990296015.db2.gz JOFSHIUHSSARNK-MJGOQNOKSA-N 1 3 371.525 2.997 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2O1 ZINC000675511486 990296017 /nfs/dbraw/zinc/29/60/17/990296017.db2.gz JOFSHIUHSSARNK-MJGOQNOKSA-N 1 3 371.525 2.997 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)c(C)s1 ZINC001106898979 990839794 /nfs/dbraw/zinc/83/97/94/990839794.db2.gz UYQJDLDMGOTZGC-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[C@H](CC[NH3+])C1 ZINC000923493448 991186626 /nfs/dbraw/zinc/18/66/26/991186626.db2.gz UXTLJDRNWHFSKX-ROUUACIJSA-N 1 3 351.494 2.951 20 0 FFADHO COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923494561 991188378 /nfs/dbraw/zinc/18/83/78/991188378.db2.gz XMAHFKNXUJUMLA-PXNSSMCTSA-N 1 3 359.514 2.810 20 0 FFADHO COc1ccc([C@H]2CCCCCN2C(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923494560 991188458 /nfs/dbraw/zinc/18/84/58/991188458.db2.gz XMAHFKNXUJUMLA-FXAWDEMLSA-N 1 3 359.514 2.810 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187808 991898961 /nfs/dbraw/zinc/89/89/61/991898961.db2.gz ZXKFUCDFSTZPIN-ZCNNSNEGSA-N 1 3 361.505 2.706 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CC2)C1)N(C)C ZINC001079298911 991986664 /nfs/dbraw/zinc/98/66/64/991986664.db2.gz NABMYHXBLSRCAC-SXLOBPIMSA-N 1 3 361.505 2.706 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1c1ccccc1F ZINC001079305333 992007607 /nfs/dbraw/zinc/00/76/07/992007607.db2.gz XYDHMZZUWYQXTH-PKOBYXMFSA-N 1 3 361.505 2.993 20 0 FFADHO C[C@H](CCN1CCC[C@@H](c2ncc[nH]2)C1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269332621 992055104 /nfs/dbraw/zinc/05/51/04/992055104.db2.gz SJLRMAMJZFSRGQ-KZNAEPCWSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CCN1CCC[C@@H](c2ncc[nH]2)C1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269332621 992055112 /nfs/dbraw/zinc/05/51/12/992055112.db2.gz SJLRMAMJZFSRGQ-KZNAEPCWSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269332621 992055120 /nfs/dbraw/zinc/05/51/20/992055120.db2.gz SJLRMAMJZFSRGQ-KZNAEPCWSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269332621 992055129 /nfs/dbraw/zinc/05/51/29/992055129.db2.gz SJLRMAMJZFSRGQ-KZNAEPCWSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052188 992677973 /nfs/dbraw/zinc/67/79/73/992677973.db2.gz BYGOQCJJUCLECF-AUUYWEPGSA-N 1 3 352.413 2.724 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080558825 993164566 /nfs/dbraw/zinc/16/45/66/993164566.db2.gz GPHQLZGYLTWJCL-VGOFRKELSA-N 1 3 369.553 2.844 20 0 FFADHO CC(C)(O)[C@@H]1CCN(CC(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c2ccccc2)C1 ZINC000880151073 1015768161 /nfs/dbraw/zinc/76/81/61/1015768161.db2.gz XIEMYBTUKCXHKQ-NHCUHLMSSA-N 1 3 374.569 2.956 20 0 FFADHO CC(C)(O)[C@@H]1CCN(CC(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c2ccccc2)C1 ZINC000880151073 1015768167 /nfs/dbraw/zinc/76/81/67/1015768167.db2.gz XIEMYBTUKCXHKQ-NHCUHLMSSA-N 1 3 374.569 2.956 20 0 FFADHO O[C@H]1c2ccccc2OC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000808452633 994122711 /nfs/dbraw/zinc/12/27/11/994122711.db2.gz NAKASNSSIODSPY-IRLDBZIGSA-N 1 3 368.477 2.745 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2OC)C1 ZINC001082052372 994124679 /nfs/dbraw/zinc/12/46/79/994124679.db2.gz BRRUXFQLNYHAEN-XUVXKRRUSA-N 1 3 365.562 2.504 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2OC)C1 ZINC001082052372 994124685 /nfs/dbraw/zinc/12/46/85/994124685.db2.gz BRRUXFQLNYHAEN-XUVXKRRUSA-N 1 3 365.562 2.504 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2OC)C1 ZINC001082052371 994124805 /nfs/dbraw/zinc/12/48/05/994124805.db2.gz BRRUXFQLNYHAEN-VAMGGRTRSA-N 1 3 365.562 2.504 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2OC)C1 ZINC001082052371 994124808 /nfs/dbraw/zinc/12/48/08/994124808.db2.gz BRRUXFQLNYHAEN-VAMGGRTRSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC=C(C)C)CC1 ZINC001131522453 994363501 /nfs/dbraw/zinc/36/35/01/994363501.db2.gz IINHBNOFFKEEBH-MOPGFXCFSA-N 1 3 365.562 2.669 20 0 FFADHO CC(C)Oc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001082447782 994653601 /nfs/dbraw/zinc/65/36/01/994653601.db2.gz PVMFBTZPUWLILW-BHIYHBOVSA-N 1 3 359.514 2.505 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082544883 994887427 /nfs/dbraw/zinc/88/74/27/994887427.db2.gz WFTVOTCBOZYGDQ-ZMYBRWDISA-N 1 3 365.468 2.776 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082544883 994887440 /nfs/dbraw/zinc/88/74/40/994887440.db2.gz WFTVOTCBOZYGDQ-ZMYBRWDISA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC001082557560 994927546 /nfs/dbraw/zinc/92/75/46/994927546.db2.gz OGYZPXHUBOKOJA-HBUWYVDXSA-N 1 3 365.468 2.947 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001082681790 995268349 /nfs/dbraw/zinc/26/83/49/995268349.db2.gz UOOMLKDTWAHSFW-CXAGYDPISA-N 1 3 364.559 2.571 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001082724818 995361963 /nfs/dbraw/zinc/36/19/63/995361963.db2.gz LXXMIHCZSZEDQU-DUXKGJEZSA-N 1 3 359.558 2.814 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001082742734 995400428 /nfs/dbraw/zinc/40/04/28/995400428.db2.gz PRLKJIKKOXNFKQ-WAOWUJCRSA-N 1 3 357.542 2.570 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cc1 ZINC001082743419 995401794 /nfs/dbraw/zinc/40/17/94/995401794.db2.gz ZEMGYMWQXFWGPM-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc(F)c(C2CC[NH2+]CC2)n1 ZINC001170680513 995465622 /nfs/dbraw/zinc/46/56/22/995465622.db2.gz VWGKTIFPVNRLQK-ZDUSSCGKSA-N 1 3 366.444 2.955 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001170687778 995542309 /nfs/dbraw/zinc/54/23/09/995542309.db2.gz MNAJWSWTPUBJRI-HOCLYGCPSA-N 1 3 373.464 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccc(Cl)cc1Cl ZINC001082920939 995827981 /nfs/dbraw/zinc/82/79/81/995827981.db2.gz MNBQHODROADPSE-SUYBPPKGSA-N 1 3 370.324 2.882 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccc(Cl)cc1Cl ZINC001082920939 995827985 /nfs/dbraw/zinc/82/79/85/995827985.db2.gz MNBQHODROADPSE-SUYBPPKGSA-N 1 3 370.324 2.882 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001082940836 995866208 /nfs/dbraw/zinc/86/62/08/995866208.db2.gz WMRMTKMASWXWRY-IIBYNOLFSA-N 1 3 366.509 2.702 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]3C2)c1 ZINC001084427457 996526897 /nfs/dbraw/zinc/52/68/97/996526897.db2.gz ITIQHXKGINUBAR-NJYVYQBISA-N 1 3 357.542 2.922 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)[C@@H]3C2)cc1 ZINC001084407003 996550191 /nfs/dbraw/zinc/55/01/91/996550191.db2.gz DPFPDYXKLFSBRK-YPAWHYETSA-N 1 3 369.553 2.664 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)[C@@H]3C2)cc1 ZINC001084407003 996550196 /nfs/dbraw/zinc/55/01/96/996550196.db2.gz DPFPDYXKLFSBRK-YPAWHYETSA-N 1 3 369.553 2.664 20 0 FFADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000677239683 1016135640 /nfs/dbraw/zinc/13/56/40/1016135640.db2.gz JOJVLRIIMXDMDR-CLAROIROSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000677239683 1016135645 /nfs/dbraw/zinc/13/56/45/1016135645.db2.gz JOJVLRIIMXDMDR-CLAROIROSA-N 1 3 357.542 2.882 20 0 FFADHO CCCN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000844174154 997694805 /nfs/dbraw/zinc/69/48/05/997694805.db2.gz NORHDMRKLQWKDB-NHCUHLMSSA-N 1 3 373.541 2.658 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000844225757 997716343 /nfs/dbraw/zinc/71/63/43/997716343.db2.gz UGDFMZJJYKKZPZ-KDURUIRLSA-N 1 3 370.541 2.937 20 0 FFADHO FC(F)(F)c1ccn([C@@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755425 1016177957 /nfs/dbraw/zinc/17/79/57/1016177957.db2.gz GZFHOBQETHAMPM-CABCVRRESA-N 1 3 372.435 2.698 20 0 FFADHO [NH3+]CC1(c2ccccc2)CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000903793471 1016202221 /nfs/dbraw/zinc/20/22/21/1016202221.db2.gz SXEGTXAWEABZRZ-FQEVSTJZSA-N 1 3 355.526 2.913 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962442 998370815 /nfs/dbraw/zinc/37/08/15/998370815.db2.gz OWOXNOSNKXQOGI-NRSPTQNISA-N 1 3 370.541 2.687 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962442 998370824 /nfs/dbraw/zinc/37/08/24/998370824.db2.gz OWOXNOSNKXQOGI-NRSPTQNISA-N 1 3 370.541 2.687 20 0 FFADHO CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001273248942 998509368 /nfs/dbraw/zinc/50/93/68/998509368.db2.gz PMXCDMSKRZILJS-HRCADAONSA-N 1 3 361.452 2.594 20 0 FFADHO CC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001273248942 998509381 /nfs/dbraw/zinc/50/93/81/998509381.db2.gz PMXCDMSKRZILJS-HRCADAONSA-N 1 3 361.452 2.594 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001085217515 999184579 /nfs/dbraw/zinc/18/45/79/999184579.db2.gz DYMMKALQBCHERE-BRWVUGGUSA-N 1 3 357.489 2.923 20 0 FFADHO Cc1cccnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001085295559 999312958 /nfs/dbraw/zinc/31/29/58/999312958.db2.gz MYBULOLSRFYZQU-QZTJIDSGSA-N 1 3 358.530 2.781 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001085393813 999454680 /nfs/dbraw/zinc/45/46/80/999454680.db2.gz LKKVEKUEBIBUEI-PWIZWCRZSA-N 1 3 361.505 2.993 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001085393813 999454684 /nfs/dbraw/zinc/45/46/84/999454684.db2.gz LKKVEKUEBIBUEI-PWIZWCRZSA-N 1 3 361.505 2.993 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001085393860 999454755 /nfs/dbraw/zinc/45/47/55/999454755.db2.gz NBOUUHPMHQUQFR-CGTJXYLNSA-N 1 3 364.559 2.619 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001085393860 999454758 /nfs/dbraw/zinc/45/47/58/999454758.db2.gz NBOUUHPMHQUQFR-CGTJXYLNSA-N 1 3 364.559 2.619 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000735653894 999465529 /nfs/dbraw/zinc/46/55/29/999465529.db2.gz WRCYHJZIHHHTAT-BGYRXZFFSA-N 1 3 366.594 2.516 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000735653894 999465532 /nfs/dbraw/zinc/46/55/32/999465532.db2.gz WRCYHJZIHHHTAT-BGYRXZFFSA-N 1 3 366.594 2.516 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCCCO2)c1 ZINC001096604734 1016340891 /nfs/dbraw/zinc/34/08/91/1016340891.db2.gz ODRULDJGIFRTEN-CGXNFDGLSA-N 1 3 371.525 2.652 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NC1CCN(C)CC1 ZINC000743060920 999798126 /nfs/dbraw/zinc/79/81/26/999798126.db2.gz KLPWYUMYJKJHKK-IBGZPJMESA-N 1 3 374.598 2.799 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NC1CCN(C)CC1 ZINC000743060920 999798127 /nfs/dbraw/zinc/79/81/27/999798127.db2.gz KLPWYUMYJKJHKK-IBGZPJMESA-N 1 3 374.598 2.799 20 0 FFADHO c1cn2c(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)c(C3CC3)nc2s1 ZINC000903980692 1016357875 /nfs/dbraw/zinc/35/78/75/1016357875.db2.gz XUXGROOBYHTEEK-CALCHBBNSA-N 1 3 371.554 2.674 20 0 FFADHO c1cn2c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)c(C3CC3)nc2s1 ZINC000903980692 1016357885 /nfs/dbraw/zinc/35/78/85/1016357885.db2.gz XUXGROOBYHTEEK-CALCHBBNSA-N 1 3 371.554 2.674 20 0 FFADHO c1cn2c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)c(C3CC3)nc2s1 ZINC000903980692 1016357897 /nfs/dbraw/zinc/35/78/97/1016357897.db2.gz XUXGROOBYHTEEK-CALCHBBNSA-N 1 3 371.554 2.674 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C1)C2 ZINC001169135488 1000024430 /nfs/dbraw/zinc/02/44/30/1000024430.db2.gz YJLVRMYWXIKAJC-LILSUDLASA-N 1 3 371.525 2.847 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C1)C2 ZINC001169135488 1000024432 /nfs/dbraw/zinc/02/44/32/1000024432.db2.gz YJLVRMYWXIKAJC-LILSUDLASA-N 1 3 371.525 2.847 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)[C@@H](C)C2)cc1 ZINC001169140695 1000026789 /nfs/dbraw/zinc/02/67/89/1000026789.db2.gz LJCLDTLWZVLTDP-VRXWPRPYSA-N 1 3 371.525 2.605 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)[C@@H](C)C2)cc1 ZINC001169140695 1000026793 /nfs/dbraw/zinc/02/67/93/1000026793.db2.gz LJCLDTLWZVLTDP-VRXWPRPYSA-N 1 3 371.525 2.605 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](N3Cc4c(cccc4F)C3=O)C1)C2 ZINC001169155148 1000028228 /nfs/dbraw/zinc/02/82/28/1000028228.db2.gz YOLMTIFXPDSCLU-TWMKSMIVSA-N 1 3 357.473 2.871 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](N3Cc4c(cccc4F)C3=O)C1)C2 ZINC001169155148 1000028230 /nfs/dbraw/zinc/02/82/30/1000028230.db2.gz YOLMTIFXPDSCLU-TWMKSMIVSA-N 1 3 357.473 2.871 20 0 FFADHO NCc1cc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)ccn1 ZINC001169607654 1000061775 /nfs/dbraw/zinc/06/17/75/1000061775.db2.gz FEYRNDATXYYLQA-UHFFFAOYSA-N 1 3 350.344 2.884 20 0 FFADHO C[C@@]12CC3(N)CC([NH2+]C4CCC(S(C)(=O)=O)CC4)(C1)C[C@](C)(C3)C2 ZINC001169864667 1000082968 /nfs/dbraw/zinc/08/29/68/1000082968.db2.gz YJRJDQKYQHNHDL-RPCQKQEUSA-N 1 3 354.560 2.762 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001109359220 1000309331 /nfs/dbraw/zinc/30/93/31/1000309331.db2.gz BJKYQXBQROPRLM-ZRNYENFQSA-N 1 3 361.505 2.631 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001109359220 1000309338 /nfs/dbraw/zinc/30/93/38/1000309338.db2.gz BJKYQXBQROPRLM-ZRNYENFQSA-N 1 3 361.505 2.631 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001109361495 1000313037 /nfs/dbraw/zinc/31/30/37/1000313037.db2.gz YFLXVPMXQUPEJV-UBDQQSCGSA-N 1 3 367.534 2.692 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001109361495 1000313042 /nfs/dbraw/zinc/31/30/42/1000313042.db2.gz YFLXVPMXQUPEJV-UBDQQSCGSA-N 1 3 367.534 2.692 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399585 1000383325 /nfs/dbraw/zinc/38/33/25/1000383325.db2.gz OHXGARILNGDLBN-ZRNYENFQSA-N 1 3 365.562 2.788 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399585 1000383329 /nfs/dbraw/zinc/38/33/29/1000383329.db2.gz OHXGARILNGDLBN-ZRNYENFQSA-N 1 3 365.562 2.788 20 0 FFADHO CCN1C[C@@H](CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)OC1=O ZINC000846920998 1000478112 /nfs/dbraw/zinc/47/81/12/1000478112.db2.gz MZXMJWMQYJHTLF-LJQANCHMSA-N 1 3 357.498 2.815 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C(C)C)C[C@]3(C)C2)c1 ZINC001091664543 1000983992 /nfs/dbraw/zinc/98/39/92/1000983992.db2.gz RVGUDFCASUCQFE-URVUXULASA-N 1 3 370.541 2.543 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C(C)C)C[C@]3(C)C2)c1 ZINC001091664543 1000983997 /nfs/dbraw/zinc/98/39/97/1000983997.db2.gz RVGUDFCASUCQFE-URVUXULASA-N 1 3 370.541 2.543 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001091667601 1000990264 /nfs/dbraw/zinc/99/02/64/1000990264.db2.gz WNBPHBKAJOTRGU-SJBKTWHCSA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001091667601 1000990275 /nfs/dbraw/zinc/99/02/75/1000990275.db2.gz WNBPHBKAJOTRGU-SJBKTWHCSA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001091667599 1000990372 /nfs/dbraw/zinc/99/03/72/1000990372.db2.gz WMAURLMYQHLJBZ-XPNTWCBSSA-N 1 3 369.553 2.882 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001091667599 1000990380 /nfs/dbraw/zinc/99/03/80/1000990380.db2.gz WMAURLMYQHLJBZ-XPNTWCBSSA-N 1 3 369.553 2.882 20 0 FFADHO CC(C)OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918588 1001145427 /nfs/dbraw/zinc/14/54/27/1001145427.db2.gz PTZAWZBTKLDEJJ-AABGKKOBSA-N 1 3 365.562 2.643 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](C/C=C/c4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001091735763 1001172558 /nfs/dbraw/zinc/17/25/58/1001172558.db2.gz WYXDIIJJUQFOKT-WFUMWBPUSA-N 1 3 367.537 2.964 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](C/C=C/c4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001091735763 1001172561 /nfs/dbraw/zinc/17/25/61/1001172561.db2.gz WYXDIIJJUQFOKT-WFUMWBPUSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740862 1001186782 /nfs/dbraw/zinc/18/67/82/1001186782.db2.gz MVTXMXIPVROBJM-KNQAVFIVSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740862 1001186784 /nfs/dbraw/zinc/18/67/84/1001186784.db2.gz MVTXMXIPVROBJM-KNQAVFIVSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754185 1001230847 /nfs/dbraw/zinc/23/08/47/1001230847.db2.gz HUZZYQHSHWETBG-KNKQGSTJSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754185 1001230852 /nfs/dbraw/zinc/23/08/52/1001230852.db2.gz HUZZYQHSHWETBG-KNKQGSTJSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCN(Cc1cccnc1)CC2 ZINC001086924130 1001333677 /nfs/dbraw/zinc/33/36/77/1001333677.db2.gz KSWHWBCNZLTAOT-QWFCFKBJSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCN(Cc1cccnc1)CC2 ZINC001086924130 1001333681 /nfs/dbraw/zinc/33/36/81/1001333681.db2.gz KSWHWBCNZLTAOT-QWFCFKBJSA-N 1 3 370.541 2.625 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000787094118 1001660295 /nfs/dbraw/zinc/66/02/95/1001660295.db2.gz SKBINCGOFYHBLL-UHFFFAOYSA-N 1 3 371.525 2.650 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001087081092 1001772116 /nfs/dbraw/zinc/77/21/16/1001772116.db2.gz UVPBWYLSFRSEIE-VAMGGRTRSA-N 1 3 365.562 2.526 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc2nonc2c1 ZINC001182424585 1001834072 /nfs/dbraw/zinc/83/40/72/1001834072.db2.gz VDDPQCDUAROBTF-WIYYLYMNSA-N 1 3 366.465 2.850 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc2nonc2c1 ZINC001182424585 1001834080 /nfs/dbraw/zinc/83/40/80/1001834080.db2.gz VDDPQCDUAROBTF-WIYYLYMNSA-N 1 3 366.465 2.850 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@@]2(C)C1)N(C)C ZINC001091780621 1001905097 /nfs/dbraw/zinc/90/50/97/1001905097.db2.gz SUGLYZHFYIFREJ-QFUCXCTJSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@@]2(C)C1)N(C)C ZINC001091780621 1001905101 /nfs/dbraw/zinc/90/51/01/1001905101.db2.gz SUGLYZHFYIFREJ-QFUCXCTJSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@]3(C)C2)cc1 ZINC001092012153 1002282265 /nfs/dbraw/zinc/28/22/65/1002282265.db2.gz QUMICLDJSJKJJK-DWLFOUALSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@]3(C)C2)cc1 ZINC001092012153 1002282275 /nfs/dbraw/zinc/28/22/75/1002282275.db2.gz QUMICLDJSJKJJK-DWLFOUALSA-N 1 3 355.526 2.760 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@]2(C)C1)N(C)C ZINC001092020002 1002295416 /nfs/dbraw/zinc/29/54/16/1002295416.db2.gz AQDASLWJIIVIFW-CBQOVEMMSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@]2(C)C1)N(C)C ZINC001092020002 1002295425 /nfs/dbraw/zinc/29/54/25/1002295425.db2.gz AQDASLWJIIVIFW-CBQOVEMMSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092049394 1002396871 /nfs/dbraw/zinc/39/68/71/1002396871.db2.gz CEMGLQVTHSPIJF-NQIIRXRSSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092049394 1002396881 /nfs/dbraw/zinc/39/68/81/1002396881.db2.gz CEMGLQVTHSPIJF-NQIIRXRSSA-N 1 3 352.482 2.550 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001095533818 1016663731 /nfs/dbraw/zinc/66/37/31/1016663731.db2.gz OTJHERQLDCRTLH-JYBIWHBTSA-N 1 3 363.546 2.540 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001095533818 1016663736 /nfs/dbraw/zinc/66/37/36/1016663736.db2.gz OTJHERQLDCRTLH-JYBIWHBTSA-N 1 3 363.546 2.540 20 0 FFADHO CC[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC000677968368 1016669442 /nfs/dbraw/zinc/66/94/42/1016669442.db2.gz IQHDZVMOGUGTNE-SJORKVTESA-N 1 3 360.420 2.953 20 0 FFADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CC1(c2ccccc2OC)CCC1 ZINC001184995068 1002782854 /nfs/dbraw/zinc/78/28/54/1002782854.db2.gz KUBRMNPOLKPOPF-UHFFFAOYSA-N 1 3 360.502 2.571 20 0 FFADHO CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001086601357 1002783363 /nfs/dbraw/zinc/78/33/63/1002783363.db2.gz RMAGSHNXGAQVDN-HBMCJLEFSA-N 1 3 355.526 2.855 20 0 FFADHO CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001086601357 1002783371 /nfs/dbraw/zinc/78/33/71/1002783371.db2.gz RMAGSHNXGAQVDN-HBMCJLEFSA-N 1 3 355.526 2.855 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086614296 1003379343 /nfs/dbraw/zinc/37/93/43/1003379343.db2.gz QEFDNWKQTCTVLC-LEWJYISDSA-N 1 3 351.494 2.966 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccsc3)C[C@H]2c2ccccc2)C1 ZINC001086623876 1003727312 /nfs/dbraw/zinc/72/73/12/1003727312.db2.gz BNOUOCWKNWGZPN-SLFFLAALSA-N 1 3 369.534 2.784 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccsc3)C[C@H]2c2ccccc2)C1 ZINC001086623876 1003727320 /nfs/dbraw/zinc/72/73/20/1003727320.db2.gz BNOUOCWKNWGZPN-SLFFLAALSA-N 1 3 369.534 2.784 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001196712176 1003922805 /nfs/dbraw/zinc/92/28/05/1003922805.db2.gz PIUCSGGDVQIPCC-IBGZPJMESA-N 1 3 362.587 2.765 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001196790161 1003956207 /nfs/dbraw/zinc/95/62/07/1003956207.db2.gz RHXSINFOVBQJOT-IBGZPJMESA-N 1 3 357.542 2.850 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O ZINC001197659212 1004305000 /nfs/dbraw/zinc/30/50/00/1004305000.db2.gz TYAXTZKDBVGAPD-CEXWTWQISA-N 1 3 367.578 2.629 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1O ZINC001197659212 1004305006 /nfs/dbraw/zinc/30/50/06/1004305006.db2.gz TYAXTZKDBVGAPD-CEXWTWQISA-N 1 3 367.578 2.629 20 0 FFADHO CCN(CC)CC(=O)N1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001273855467 1005127500 /nfs/dbraw/zinc/12/75/00/1005127500.db2.gz SABMUKCVCIRXKL-KRWDZBQOSA-N 1 3 363.468 2.985 20 0 FFADHO CCN(CC)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001273855467 1005127504 /nfs/dbraw/zinc/12/75/04/1005127504.db2.gz SABMUKCVCIRXKL-KRWDZBQOSA-N 1 3 363.468 2.985 20 0 FFADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1OC(F)F ZINC001201415952 1005212049 /nfs/dbraw/zinc/21/20/49/1005212049.db2.gz IONRAUHMXFWGNM-JKSUJKDBSA-N 1 3 370.440 2.764 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001488967699 1005388457 /nfs/dbraw/zinc/38/84/57/1005388457.db2.gz KZNFLLLXMORKJJ-DLBZAZTESA-N 1 3 364.559 2.702 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CCN1CCOC1CCC1 ZINC001489284128 1005448042 /nfs/dbraw/zinc/44/80/42/1005448042.db2.gz REKQKMIBOHKECA-XLIONFOSSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CCN1CCOC1CCC1 ZINC001489284128 1005448045 /nfs/dbraw/zinc/44/80/45/1005448045.db2.gz REKQKMIBOHKECA-XLIONFOSSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccc2c(c1)CCC2 ZINC001489286029 1005448654 /nfs/dbraw/zinc/44/86/54/1005448654.db2.gz FNUVQWHVRQBNDR-UZLBHIALSA-N 1 3 355.526 2.596 20 0 FFADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)c1OC ZINC000850357419 1005810973 /nfs/dbraw/zinc/81/09/73/1005810973.db2.gz IXWHALRKAVUTQD-HXUWFJFHSA-N 1 3 370.493 2.869 20 0 FFADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)c1OC ZINC000850357419 1005810977 /nfs/dbraw/zinc/81/09/77/1005810977.db2.gz IXWHALRKAVUTQD-HXUWFJFHSA-N 1 3 370.493 2.869 20 0 FFADHO CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CCc4c(ccc(=O)n4CCN4CCCC4)C3)C[C@@H]21 ZINC001170715865 1006078960 /nfs/dbraw/zinc/07/89/60/1006078960.db2.gz MBQSXACRGXGERZ-YSTOQKLRSA-N 1 3 369.553 2.826 20 0 FFADHO O=C(NCC[NH+]1CCCCC1)NCc1ccc(Nc2ccncc2)cc1 ZINC000853250959 1006351785 /nfs/dbraw/zinc/35/17/85/1006351785.db2.gz HVVHYRGBBDIOMG-UHFFFAOYSA-N 1 3 353.470 2.532 20 0 FFADHO O=c1oc2ccc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc2o1 ZINC000883085667 1006637386 /nfs/dbraw/zinc/63/73/86/1006637386.db2.gz WRKVQROMHNURPP-SFHVURJKSA-N 1 3 368.433 2.633 20 0 FFADHO O=c1oc2ccc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc2o1 ZINC000883085667 1006637394 /nfs/dbraw/zinc/63/73/94/1006637394.db2.gz WRKVQROMHNURPP-SFHVURJKSA-N 1 3 368.433 2.633 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000854038128 1006641313 /nfs/dbraw/zinc/64/13/13/1006641313.db2.gz KNJPPDJCHOHBNJ-PZJWPPBQSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000854038128 1006641316 /nfs/dbraw/zinc/64/13/16/1006641316.db2.gz KNJPPDJCHOHBNJ-PZJWPPBQSA-N 1 3 358.530 2.634 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000854335200 1006783975 /nfs/dbraw/zinc/78/39/75/1006783975.db2.gz WVROFUZVRGTNHK-WMZOPIPTSA-N 1 3 369.594 2.873 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(Cc4ccc5cc[nH]c5c4)C[C@H]32)CC1 ZINC001188970286 1006828866 /nfs/dbraw/zinc/82/88/66/1006828866.db2.gz GDCUKDGBMMRMFY-AZUAARDMSA-N 1 3 366.509 2.542 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)NCC1CCN(Cc2ccncc2)CC1 ZINC000855527751 1007397442 /nfs/dbraw/zinc/39/74/42/1007397442.db2.gz QEQWVUUXVBSOEW-UHFFFAOYSA-N 1 3 358.530 2.676 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902521 1007805184 /nfs/dbraw/zinc/80/51/84/1007805184.db2.gz SIOMJSOUBZOQIU-IRNNPGBSSA-N 1 3 370.493 2.641 20 0 FFADHO COc1cccc([C@H](O)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817905730 1007806155 /nfs/dbraw/zinc/80/61/55/1007806155.db2.gz RZLDTSMSTXMYDP-SBHAEUEKSA-N 1 3 354.450 2.574 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccccc3C)cc2)CC1 ZINC000818956352 1007995119 /nfs/dbraw/zinc/99/51/19/1007995119.db2.gz KBLVLALZOULTMW-QHCPKHFHSA-N 1 3 367.537 2.956 20 0 FFADHO COc1cnccc1C[NH+]1CCC2(C[C@@H](N(C)Cc3ccco3)CO2)CC1 ZINC001206458487 1032290848 /nfs/dbraw/zinc/29/08/48/1032290848.db2.gz NIFPGVYELTWTQP-GOSISDBHSA-N 1 3 371.481 2.939 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000858119628 1008304813 /nfs/dbraw/zinc/30/48/13/1008304813.db2.gz QDNDXXVIFNHRTE-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000858119628 1008304819 /nfs/dbraw/zinc/30/48/19/1008304819.db2.gz QDNDXXVIFNHRTE-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1(C)C ZINC000858191623 1008320291 /nfs/dbraw/zinc/32/02/91/1008320291.db2.gz BFBXZKMJYWYTGD-HZPDHXFCSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@H+]1CC[C@@H](NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1(C)C ZINC000858191623 1008320294 /nfs/dbraw/zinc/32/02/94/1008320294.db2.gz BFBXZKMJYWYTGD-HZPDHXFCSA-N 1 3 367.534 2.617 20 0 FFADHO CC[C@H](C)Oc1cc(NC2CCN(C3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC000858375893 1008352409 /nfs/dbraw/zinc/35/24/09/1008352409.db2.gz WYYHSLZRHIOCKM-HNNXBMFYSA-N 1 3 361.534 2.933 20 0 FFADHO CNC(=O)C1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886516557 1008712906 /nfs/dbraw/zinc/71/29/06/1008712906.db2.gz NVWJFQXDSPZZRL-WMCAYINRSA-N 1 3 355.526 2.934 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000859929484 1008726646 /nfs/dbraw/zinc/72/66/46/1008726646.db2.gz FZMZSKZCXYHDMX-SESVDKBCSA-N 1 3 355.526 2.711 20 0 FFADHO NC(=O)c1cccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1 ZINC000886545349 1008729545 /nfs/dbraw/zinc/72/95/45/1008729545.db2.gz LEWKVGGZULDHAZ-NNWRFLSQSA-N 1 3 363.505 2.971 20 0 FFADHO OCC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCOCC1 ZINC000886590457 1008759585 /nfs/dbraw/zinc/75/95/85/1008759585.db2.gz VZRZXSGYUREVHS-JKLQHZFJSA-N 1 3 358.526 2.807 20 0 FFADHO CCCN1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1=O ZINC000886628650 1008781619 /nfs/dbraw/zinc/78/16/19/1008781619.db2.gz YCVYQVHCJQJITL-BURNTYAHSA-N 1 3 355.526 2.888 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001206596538 1032359479 /nfs/dbraw/zinc/35/94/79/1032359479.db2.gz NSZBVXCGROZBND-FDFHNCONSA-N 1 3 357.542 2.551 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001206596538 1032359484 /nfs/dbraw/zinc/35/94/84/1032359484.db2.gz NSZBVXCGROZBND-FDFHNCONSA-N 1 3 357.542 2.551 20 0 FFADHO Cn1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c(-c2ccccc2)n1 ZINC001178169746 1008911325 /nfs/dbraw/zinc/91/13/25/1008911325.db2.gz AOULBXGXPXVYFO-PMACEKPBSA-N 1 3 354.498 2.555 20 0 FFADHO C[C@H](C[NH+](C)C)NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178591897 1009036267 /nfs/dbraw/zinc/03/62/67/1009036267.db2.gz YQLLLDDIUHRSAC-QGZVFWFLSA-N 1 3 351.494 2.774 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC001274036493 1009298095 /nfs/dbraw/zinc/29/80/95/1009298095.db2.gz OMPPTNRLDHBTIL-SQLJOLKNSA-N 1 3 353.869 2.581 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC001274036493 1009298110 /nfs/dbraw/zinc/29/81/10/1009298110.db2.gz OMPPTNRLDHBTIL-SQLJOLKNSA-N 1 3 353.869 2.581 20 0 FFADHO CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000861342662 1009356091 /nfs/dbraw/zinc/35/60/91/1009356091.db2.gz WUKWXDPOCBKINC-TZIWHRDSSA-N 1 3 360.498 2.939 20 0 FFADHO COc1cccc(COC[C@@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134896846 1009499878 /nfs/dbraw/zinc/49/98/78/1009499878.db2.gz UHPQULQVHGXXAP-KAGYGMCKSA-N 1 3 374.525 2.521 20 0 FFADHO COc1cccc(COC[C@@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134896846 1009499887 /nfs/dbraw/zinc/49/98/87/1009499887.db2.gz UHPQULQVHGXXAP-KAGYGMCKSA-N 1 3 374.525 2.521 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001093024889 1009638973 /nfs/dbraw/zinc/63/89/73/1009638973.db2.gz IEHNRALMSXYOBB-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001093024889 1009638975 /nfs/dbraw/zinc/63/89/75/1009638975.db2.gz IEHNRALMSXYOBB-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1C ZINC001093025171 1009640497 /nfs/dbraw/zinc/64/04/97/1009640497.db2.gz TYWNIAWKZRRJGL-MISYRCLQSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C ZINC001093025171 1009640504 /nfs/dbraw/zinc/64/05/04/1009640504.db2.gz TYWNIAWKZRRJGL-MISYRCLQSA-N 1 3 358.530 2.529 20 0 FFADHO Cc1oncc1CN1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056597 1009724307 /nfs/dbraw/zinc/72/43/07/1009724307.db2.gz HHDGAULGMIOZBG-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(Nc3ccncc3)cc2)CC[N@@H+]1C ZINC000889391799 1009937780 /nfs/dbraw/zinc/93/77/80/1009937780.db2.gz WMHUOXVRXDUQBC-UZLBHIALSA-N 1 3 367.497 2.871 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(Nc3ccncc3)cc2)CC[N@H+]1C ZINC000889391799 1009937789 /nfs/dbraw/zinc/93/77/89/1009937789.db2.gz WMHUOXVRXDUQBC-UZLBHIALSA-N 1 3 367.497 2.871 20 0 FFADHO Cc1ccnc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001206849370 1032454692 /nfs/dbraw/zinc/45/46/92/1032454692.db2.gz REDSZGXOLNCFAF-YPAWHYETSA-N 1 3 373.541 2.870 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001094042378 1010805217 /nfs/dbraw/zinc/80/52/17/1010805217.db2.gz STJFUCDEDLONIZ-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO CC(=O)NCC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000865624996 1010829780 /nfs/dbraw/zinc/82/97/80/1010829780.db2.gz TZYAYEPBBCCRHI-UHFFFAOYSA-N 1 3 358.530 2.578 20 0 FFADHO C[C@H]1C[C@H](NCc2ccnc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000865681732 1010840871 /nfs/dbraw/zinc/84/08/71/1010840871.db2.gz WRBZTMSRZQFRIV-FXAWDEMLSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@H]1C[C@H](NCc2ccnc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000865681732 1010840876 /nfs/dbraw/zinc/84/08/76/1010840876.db2.gz WRBZTMSRZQFRIV-FXAWDEMLSA-N 1 3 362.481 2.805 20 0 FFADHO Cc1ccccc1CN1CCO[C@H](C[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000866508734 1011005505 /nfs/dbraw/zinc/00/55/05/1011005505.db2.gz QGERIINHIKWZOH-JOCHJYFZSA-N 1 3 357.542 2.660 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000866666866 1011034237 /nfs/dbraw/zinc/03/42/37/1011034237.db2.gz WZIVZHNHMZJVMX-CEWLAPEOSA-N 1 3 373.541 2.955 20 0 FFADHO C[C@@H](c1ccc2ccccc2c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709236 1011041913 /nfs/dbraw/zinc/04/19/13/1011041913.db2.gz JJOUWJLVPQNYEQ-GAZPGATBSA-N 1 3 351.450 2.768 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ocnc2C)CC3)CC[N@@H+]1C ZINC001094420979 1011105994 /nfs/dbraw/zinc/10/59/94/1011105994.db2.gz LZQIAGUZYSXEJL-GMLUQMLDSA-N 1 3 374.529 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ocnc2C)CC3)CC[N@H+]1C ZINC001094420979 1011105995 /nfs/dbraw/zinc/10/59/95/1011105995.db2.gz LZQIAGUZYSXEJL-GMLUQMLDSA-N 1 3 374.529 2.574 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000868172292 1011190117 /nfs/dbraw/zinc/19/01/17/1011190117.db2.gz WJIBJPUPQISHNB-FQEVSTJZSA-N 1 3 374.529 2.980 20 0 FFADHO COc1cc(C)nc(O[C@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641965 1011423946 /nfs/dbraw/zinc/42/39/46/1011423946.db2.gz XVQJZZNXYFELPA-INIZCTEOSA-N 1 3 362.518 2.898 20 0 FFADHO COc1cc(C)nc(O[C@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641965 1011423953 /nfs/dbraw/zinc/42/39/53/1011423953.db2.gz XVQJZZNXYFELPA-INIZCTEOSA-N 1 3 362.518 2.898 20 0 FFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001274637351 1011550820 /nfs/dbraw/zinc/55/08/20/1011550820.db2.gz FISHQBIEPYTEDD-VOBGVNJCSA-N 1 3 359.489 2.779 20 0 FFADHO COC(=O)c1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001172120995 1011654849 /nfs/dbraw/zinc/65/48/49/1011654849.db2.gz BBRJZQGXURXYCX-WKCHPHFGSA-N 1 3 371.525 2.606 20 0 FFADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172159648 1011673058 /nfs/dbraw/zinc/67/30/58/1011673058.db2.gz RLZWQBQTOHOXBP-ROUUACIJSA-N 1 3 361.917 2.829 20 0 FFADHO C[N@H+](Cc1cccc(F)c1)C1CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172181976 1011689151 /nfs/dbraw/zinc/68/91/51/1011689151.db2.gz JFUQLNXJSXGINH-VQTJNVASSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172181976 1011689158 /nfs/dbraw/zinc/68/91/58/1011689158.db2.gz JFUQLNXJSXGINH-VQTJNVASSA-N 1 3 359.489 2.875 20 0 FFADHO c1cc(CN2CCOCC3(CC[NH+](C4C[C@H]5CC[C@@H](C4)O5)CC3)C2)ccn1 ZINC001172227604 1011702127 /nfs/dbraw/zinc/70/21/27/1011702127.db2.gz LIOWGCPNIXMGCU-SEJPIABJSA-N 1 3 371.525 2.706 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646408702 1011911369 /nfs/dbraw/zinc/91/13/69/1011911369.db2.gz CXBDMFICJYEGNB-PWRODBHTSA-N 1 3 355.526 2.966 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](NC2CC(C)(C)OC(C)(C)C2)C1 ZINC001172654529 1011918014 /nfs/dbraw/zinc/91/80/14/1011918014.db2.gz FNADQGUJKZWUKU-CABCVRRESA-N 1 3 355.523 2.649 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CC1 ZINC001172764836 1012000076 /nfs/dbraw/zinc/00/00/76/1012000076.db2.gz DAMCDDIXFDDHOZ-WIYYLYMNSA-N 1 3 373.541 2.646 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870183690 1012243593 /nfs/dbraw/zinc/24/35/93/1012243593.db2.gz KNPOXEZBHHFVFN-QZTJIDSGSA-N 1 3 355.526 2.865 20 0 FFADHO CCSC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001173288653 1012433449 /nfs/dbraw/zinc/43/34/49/1012433449.db2.gz XKXDHYHKFOTRSL-FUHWJXTLSA-N 1 3 363.571 2.533 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(C)(C)C[NH3+])CC[C@@H]1C(=O)OC(C)(C)C ZINC001173370631 1012513262 /nfs/dbraw/zinc/51/32/62/1012513262.db2.gz ZTJGNYXNBZHWCV-QLFBSQMISA-N 1 3 370.534 2.782 20 0 FFADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000870990330 1012669921 /nfs/dbraw/zinc/66/99/21/1012669921.db2.gz DPEVFZBRUHRCSH-RXVVDRJESA-N 1 3 358.530 2.517 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)CC2)C1=O ZINC001275664303 1012797809 /nfs/dbraw/zinc/79/78/09/1012797809.db2.gz QUXSYGUTUJEHBC-FQEVSTJZSA-N 1 3 365.468 2.731 20 0 FFADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC(N(CC)[C@@H]3CCOC3)CC2)C1 ZINC001173658909 1012846341 /nfs/dbraw/zinc/84/63/41/1012846341.db2.gz SKJONIMZDUKHJE-BHIYHBOVSA-N 1 3 352.519 2.684 20 0 FFADHO [NH3+]C1(c2cccc(Cl)c2)CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173740085 1012931615 /nfs/dbraw/zinc/93/16/15/1012931615.db2.gz ILYBVFLAWFAUFD-IRXDYDNUSA-N 1 3 360.893 2.760 20 0 FFADHO c1nnn([C@@H]2CCC[C@@H]([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)C2)n1 ZINC001173768031 1012959949 /nfs/dbraw/zinc/95/99/49/1012959949.db2.gz IEMUQOQSXNNKKJ-DOIPELPJSA-N 1 3 366.513 2.611 20 0 FFADHO c1nnn([C@@H]2CCC[C@@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)C2)n1 ZINC001173768031 1012959965 /nfs/dbraw/zinc/95/99/65/1012959965.db2.gz IEMUQOQSXNNKKJ-DOIPELPJSA-N 1 3 366.513 2.611 20 0 FFADHO CC1([NH3+])CCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001173777119 1012978102 /nfs/dbraw/zinc/97/81/02/1012978102.db2.gz FDXUOKYACRVAHE-UHFFFAOYSA-N 1 3 353.869 2.897 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001097213167 1017197960 /nfs/dbraw/zinc/19/79/60/1017197960.db2.gz BKVQWKHYJDIUSY-BQJUDKOJSA-N 1 3 355.526 2.886 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001097213167 1017197968 /nfs/dbraw/zinc/19/79/68/1017197968.db2.gz BKVQWKHYJDIUSY-BQJUDKOJSA-N 1 3 355.526 2.886 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)[C@@H](C)C1 ZINC000678600625 1017386634 /nfs/dbraw/zinc/38/66/34/1017386634.db2.gz NHHLFGRNQITWEI-YSIASYRMSA-N 1 3 365.562 2.647 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000924724064 1017449117 /nfs/dbraw/zinc/44/91/17/1017449117.db2.gz WNJNSHGRFOLBDP-VXKWHMMOSA-N 1 3 357.542 2.729 20 0 FFADHO C[C@H](NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1=CCN(C)CC1 ZINC000679710838 1017584172 /nfs/dbraw/zinc/58/41/72/1017584172.db2.gz ROCUOHBWVOINCO-SFHVURJKSA-N 1 3 362.562 2.934 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCN(C2CC2)C1 ZINC000925054699 1017598243 /nfs/dbraw/zinc/59/82/43/1017598243.db2.gz OVNYHECXGOXJFC-XPQZIERPSA-N 1 3 362.562 2.909 20 0 FFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925699124 1017820555 /nfs/dbraw/zinc/82/05/55/1017820555.db2.gz URHHTFPYJMXPFU-CTAFRAEOSA-N 1 3 360.546 2.872 20 0 FFADHO C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000925720428 1017825420 /nfs/dbraw/zinc/82/54/20/1017825420.db2.gz HKHXOEOOLPXPJY-XWTMOSNGSA-N 1 3 360.502 2.925 20 0 FFADHO C(N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000925720428 1017825429 /nfs/dbraw/zinc/82/54/29/1017825429.db2.gz HKHXOEOOLPXPJY-XWTMOSNGSA-N 1 3 360.502 2.925 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CNCC3(CCOCC3)C2)c2ccccc21 ZINC000925794421 1017849806 /nfs/dbraw/zinc/84/98/06/1017849806.db2.gz URYOOLXDHAZAEX-NSISKUIASA-N 1 3 372.509 2.917 20 0 FFADHO COc1cccc2cc([C@@H](C)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc21 ZINC000925849751 1017870602 /nfs/dbraw/zinc/87/06/02/1017870602.db2.gz FEAAYSLYGFMPAE-UKRRQHHQSA-N 1 3 358.438 2.777 20 0 FFADHO Cc1cc(C)c2c(c1)[C@H](NC[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCCO2 ZINC000925853727 1017874026 /nfs/dbraw/zinc/87/40/26/1017874026.db2.gz QPBKBAFIPSXZEO-FUHWJXTLSA-N 1 3 358.482 2.792 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000749066641 1018023892 /nfs/dbraw/zinc/02/38/92/1018023892.db2.gz FUQXBAJDTMYJBC-SFHVURJKSA-N 1 3 358.530 2.989 20 0 FFADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000926880897 1018279941 /nfs/dbraw/zinc/27/99/41/1018279941.db2.gz ZTUFWQKYSMMHQY-IUOOZAAYSA-N 1 3 373.488 2.809 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)ccc1OC ZINC000927152899 1018382513 /nfs/dbraw/zinc/38/25/13/1018382513.db2.gz WKVSDKZHGBFBIF-CRAIPNDOSA-N 1 3 371.529 2.874 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000681219087 1018419130 /nfs/dbraw/zinc/41/91/30/1018419130.db2.gz TXCPVWWPEKXVPA-NHCUHLMSSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000681219087 1018419138 /nfs/dbraw/zinc/41/91/38/1018419138.db2.gz TXCPVWWPEKXVPA-NHCUHLMSSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927290761 1018450566 /nfs/dbraw/zinc/45/05/66/1018450566.db2.gz DKVIMLDTCZZSJT-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001110961846 1019279210 /nfs/dbraw/zinc/27/92/10/1019279210.db2.gz HUMXGJHGDURXGA-RLLQIKCJSA-N 1 3 359.514 2.519 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1CC[C@H](C)CCCC(C)(C)O)CC[NH2+]CC2 ZINC001222216097 1032825744 /nfs/dbraw/zinc/82/57/44/1032825744.db2.gz VZENWVAGTISTNQ-MSOLQXFVSA-N 1 3 368.562 2.961 20 0 FFADHO COc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1C#N ZINC000397603692 1020292492 /nfs/dbraw/zinc/29/24/92/1020292492.db2.gz OWYIIYDLPJOLMW-UHFFFAOYSA-N 1 3 365.477 2.684 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3CC[NH+](CC)CC3)cc2)CC1 ZINC000726275682 1020450391 /nfs/dbraw/zinc/45/03/91/1020450391.db2.gz UYFUWWNHUCMPQD-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001046330157 1020594770 /nfs/dbraw/zinc/59/47/70/1020594770.db2.gz XDTMLSHAYXJMNJ-BSLALVQMSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001046330157 1020594776 /nfs/dbraw/zinc/59/47/76/1020594776.db2.gz XDTMLSHAYXJMNJ-BSLALVQMSA-N 1 3 355.526 2.596 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)cc1CN1CCCCC1 ZINC000903260585 1020767392 /nfs/dbraw/zinc/76/73/92/1020767392.db2.gz PLBHKXCXWLXVFQ-LYGPFTKASA-N 1 3 359.514 2.986 20 0 FFADHO Cc1noc(C(C)C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000932852069 1020913480 /nfs/dbraw/zinc/91/34/80/1020913480.db2.gz NDMVFLYKWFTOEV-UHFFFAOYSA-N 1 3 363.506 2.787 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001098844473 1021230267 /nfs/dbraw/zinc/23/02/67/1021230267.db2.gz CQVHGBHKYWEHSF-BUBGKSFDSA-N 1 3 371.525 2.506 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001098844473 1021230277 /nfs/dbraw/zinc/23/02/77/1021230277.db2.gz CQVHGBHKYWEHSF-BUBGKSFDSA-N 1 3 371.525 2.506 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC(F)(F)C3)C2)CCC1 ZINC001099445964 1022539002 /nfs/dbraw/zinc/53/90/02/1022539002.db2.gz FJLJSPSAWUAVPQ-WMZOPIPTSA-N 1 3 369.500 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCc2ccccc2C)CC[N@@H+]1C ZINC001038273053 1022648742 /nfs/dbraw/zinc/64/87/42/1022648742.db2.gz NANSWJPMKAIOPY-PCCBWWKXSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCc2ccccc2C)CC[N@H+]1C ZINC001038273053 1022648746 /nfs/dbraw/zinc/64/87/46/1022648746.db2.gz NANSWJPMKAIOPY-PCCBWWKXSA-N 1 3 357.542 2.848 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)N(C)C)cc1 ZINC001120535477 1023352943 /nfs/dbraw/zinc/35/29/43/1023352943.db2.gz DYHMPFIEVCOUSO-IEBWSBKVSA-N 1 3 362.543 2.549 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1 ZINC001120562874 1023361935 /nfs/dbraw/zinc/36/19/35/1023361935.db2.gz GWYUCNCEGSCCND-JAXLGGSGSA-N 1 3 366.509 2.648 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2c3ccccc3CCN2CC2CC2)CC[N@@H+]1C ZINC000948919957 1023413583 /nfs/dbraw/zinc/41/35/83/1023413583.db2.gz UOMPSEBAPRSMDY-HBMCJLEFSA-N 1 3 355.526 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2c3ccccc3CCN2CC2CC2)CC[N@H+]1C ZINC000948919957 1023413587 /nfs/dbraw/zinc/41/35/87/1023413587.db2.gz UOMPSEBAPRSMDY-HBMCJLEFSA-N 1 3 355.526 2.842 20 0 FFADHO CN1CCC[C@@H](c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CC2CC2)C1 ZINC001123683232 1023937318 /nfs/dbraw/zinc/93/73/18/1023937318.db2.gz WMYYJZXGIMRRHY-RTBURBONSA-N 1 3 372.561 2.562 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)C1(C2CC[NH2+]CC2)CC1 ZINC001122108649 1024343299 /nfs/dbraw/zinc/34/32/99/1024343299.db2.gz RSOOUBQQANNSNR-FQEVSTJZSA-N 1 3 355.526 2.937 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CCCCc1ccccc1)C2 ZINC001101375401 1024578907 /nfs/dbraw/zinc/57/89/07/1024578907.db2.gz QXOLWRPGQFSHJS-KNQAVFIVSA-N 1 3 366.509 2.755 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001101375401 1024578910 /nfs/dbraw/zinc/57/89/10/1024578910.db2.gz QXOLWRPGQFSHJS-KNQAVFIVSA-N 1 3 366.509 2.755 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1 ZINC001101477334 1024843455 /nfs/dbraw/zinc/84/34/55/1024843455.db2.gz OOFWLYFLJAVVDG-IRLDBZIGSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1 ZINC001101477334 1024843474 /nfs/dbraw/zinc/84/34/74/1024843474.db2.gz OOFWLYFLJAVVDG-IRLDBZIGSA-N 1 3 357.542 2.924 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1 ZINC001101478208 1024845636 /nfs/dbraw/zinc/84/56/36/1024845636.db2.gz CRGQXLSWIWFMGL-IRLDBZIGSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1 ZINC001101478208 1024845658 /nfs/dbraw/zinc/84/56/58/1024845658.db2.gz CRGQXLSWIWFMGL-IRLDBZIGSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047550 1025353008 /nfs/dbraw/zinc/35/30/08/1025353008.db2.gz KVFUMNVVSYWGBB-LARHTMHMSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047550 1025353021 /nfs/dbraw/zinc/35/30/21/1025353021.db2.gz KVFUMNVVSYWGBB-LARHTMHMSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047552 1025353879 /nfs/dbraw/zinc/35/38/79/1025353879.db2.gz KVFUMNVVSYWGBB-UUWMFPHWSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047552 1025353891 /nfs/dbraw/zinc/35/38/91/1025353891.db2.gz KVFUMNVVSYWGBB-UUWMFPHWSA-N 1 3 355.526 2.724 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047618 1025354008 /nfs/dbraw/zinc/35/40/08/1025354008.db2.gz NISWPXZIYSEIPG-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102047618 1025354023 /nfs/dbraw/zinc/35/40/23/1025354023.db2.gz NISWPXZIYSEIPG-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001218677384 1033277811 /nfs/dbraw/zinc/27/78/11/1033277811.db2.gz NQOXXPPICMGRNO-LJQANCHMSA-N 1 3 369.513 2.744 20 0 FFADHO CCN1CCN(c2ccc(NC3CC[NH+](CC(C)(C)O)CC3)c(C)c2)CC1 ZINC000638186552 1025733224 /nfs/dbraw/zinc/73/32/24/1025733224.db2.gz WNVNTFOZXSHRID-UHFFFAOYSA-N 1 3 374.573 2.784 20 0 FFADHO C[C@@H]1CN([C@@H]2CCc3c2c(F)ccc3F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318616 1025739775 /nfs/dbraw/zinc/73/97/75/1025739775.db2.gz AZVKBHGPRXNOIG-HBUWYVDXSA-N 1 3 365.468 2.588 20 0 FFADHO CCc1nocc1CN1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102356781 1025797511 /nfs/dbraw/zinc/79/75/11/1025797511.db2.gz ZGZKMKPMVOLXMN-GPMSIDNRSA-N 1 3 364.534 2.542 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366662 1025817149 /nfs/dbraw/zinc/81/71/49/1025817149.db2.gz MSLPBVAZPWTLLA-XQBPLPMBSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366662 1025817159 /nfs/dbraw/zinc/81/71/59/1025817159.db2.gz MSLPBVAZPWTLLA-XQBPLPMBSA-N 1 3 371.569 2.960 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369848 1025822196 /nfs/dbraw/zinc/82/21/96/1025822196.db2.gz ILSUWIXTSMKDTO-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369848 1025822221 /nfs/dbraw/zinc/82/22/21/1025822221.db2.gz ILSUWIXTSMKDTO-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2C)C1 ZINC001102369967 1025824282 /nfs/dbraw/zinc/82/42/82/1025824282.db2.gz MLINWUTUNAFXMR-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2C)C1 ZINC001102369967 1025824295 /nfs/dbraw/zinc/82/42/95/1025824295.db2.gz MLINWUTUNAFXMR-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1F ZINC001102369893 1025828575 /nfs/dbraw/zinc/82/85/75/1025828575.db2.gz JSKARLLFLZXMFD-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1F ZINC001102369893 1025828594 /nfs/dbraw/zinc/82/85/94/1025828594.db2.gz JSKARLLFLZXMFD-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@H]1C)N(C)C ZINC001102382365 1025859594 /nfs/dbraw/zinc/85/95/94/1025859594.db2.gz ZTEYSEKENTXQRF-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1C)N(C)C ZINC001102382365 1025859618 /nfs/dbraw/zinc/85/96/18/1025859618.db2.gz ZTEYSEKENTXQRF-NRSPTQNISA-N 1 3 359.558 2.952 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102475262 1026051897 /nfs/dbraw/zinc/05/18/97/1026051897.db2.gz GMNNTRRTGSEMTI-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102475262 1026051916 /nfs/dbraw/zinc/05/19/16/1026051916.db2.gz GMNNTRRTGSEMTI-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO C[N@H+](CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)Cc1ccccc1 ZINC000246469424 1026169754 /nfs/dbraw/zinc/16/97/54/1026169754.db2.gz GNDIZYNTQMGJGR-CABCVRRESA-N 1 3 372.387 2.509 20 0 FFADHO C[N@@H+](CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)Cc1ccccc1 ZINC000246469424 1026169760 /nfs/dbraw/zinc/16/97/60/1026169760.db2.gz GNDIZYNTQMGJGR-CABCVRRESA-N 1 3 372.387 2.509 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102525215 1026213867 /nfs/dbraw/zinc/21/38/67/1026213867.db2.gz QBYRDXKHAUBSCM-NVXWUHKLSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102525215 1026213879 /nfs/dbraw/zinc/21/38/79/1026213879.db2.gz QBYRDXKHAUBSCM-NVXWUHKLSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1C ZINC001102525225 1026215374 /nfs/dbraw/zinc/21/53/74/1026215374.db2.gz QUQPDMVSLVUEFK-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C ZINC001102525225 1026215380 /nfs/dbraw/zinc/21/53/80/1026215380.db2.gz QUQPDMVSLVUEFK-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001102525680 1026218833 /nfs/dbraw/zinc/21/88/33/1026218833.db2.gz PGNFUYODZVDZRJ-ZIFCJYIRSA-N 1 3 361.530 2.782 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001102525680 1026218845 /nfs/dbraw/zinc/21/88/45/1026218845.db2.gz PGNFUYODZVDZRJ-ZIFCJYIRSA-N 1 3 361.530 2.782 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc4nc(C)ccc4c3)CC[C@@H]2C1 ZINC001141477347 1026393101 /nfs/dbraw/zinc/39/31/01/1026393101.db2.gz IJZYHEQGRXOYEG-IFMALSPDSA-N 1 3 369.509 2.712 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc4nc(C)ccc4c3)CC[C@@H]2C1 ZINC001141477347 1026393108 /nfs/dbraw/zinc/39/31/08/1026393108.db2.gz IJZYHEQGRXOYEG-IFMALSPDSA-N 1 3 369.509 2.712 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@H](C)C2)s1 ZINC001102598986 1026396393 /nfs/dbraw/zinc/39/63/93/1026396393.db2.gz JGISGNBJNJHVRK-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760372 1026458847 /nfs/dbraw/zinc/45/88/47/1026458847.db2.gz WFHIHEKLQUKALT-SJORKVTESA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083929 1026945439 /nfs/dbraw/zinc/94/54/39/1026945439.db2.gz PNHSLNKICSMHNF-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083929 1026945445 /nfs/dbraw/zinc/94/54/45/1026945445.db2.gz PNHSLNKICSMHNF-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001103088209 1026949559 /nfs/dbraw/zinc/94/95/59/1026949559.db2.gz YPAUABFEYRQZPV-NIKGAXFTSA-N 1 3 363.571 2.971 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001103088209 1026949564 /nfs/dbraw/zinc/94/95/64/1026949564.db2.gz YPAUABFEYRQZPV-NIKGAXFTSA-N 1 3 363.571 2.971 20 0 FFADHO CCCCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCC[C@H](C)C1 ZINC000840090913 1026952715 /nfs/dbraw/zinc/95/27/15/1026952715.db2.gz NYIGVCPNIFZWMY-DLBZAZTESA-N 1 3 364.534 2.641 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113320 1026973415 /nfs/dbraw/zinc/97/34/15/1026973415.db2.gz FQSHONBWVQLISC-AQNXPRMDSA-N 1 3 369.594 2.710 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113320 1026973423 /nfs/dbraw/zinc/97/34/23/1026973423.db2.gz FQSHONBWVQLISC-AQNXPRMDSA-N 1 3 369.594 2.710 20 0 FFADHO COc1ccc2nc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)nc(C)c2c1 ZINC001158581852 1027067026 /nfs/dbraw/zinc/06/70/26/1027067026.db2.gz YSKUCHVQIPCSJF-UHFFFAOYSA-N 1 3 369.513 2.599 20 0 FFADHO NCc1ccc2c(n1)N(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CCC2 ZINC001158648542 1027083895 /nfs/dbraw/zinc/08/38/95/1027083895.db2.gz AHLJPALBXVUQAD-UHFFFAOYSA-N 1 3 358.877 2.535 20 0 FFADHO CCn1cc(C[NH2+]CCCN2CCN(CC)CC2)c(-c2ccccc2)n1 ZINC000641708446 1027272079 /nfs/dbraw/zinc/27/20/79/1027272079.db2.gz ZXOZKYNCLQGIHR-UHFFFAOYSA-N 1 3 355.530 2.687 20 0 FFADHO Cc1nc(CN2C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001103378694 1027352458 /nfs/dbraw/zinc/35/24/58/1027352458.db2.gz FSMKPZJUUSFIAV-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378843 1027353295 /nfs/dbraw/zinc/35/32/95/1027353295.db2.gz NRBUSQXCDILGGR-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CCOc1nccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159467890 1027401013 /nfs/dbraw/zinc/40/10/13/1027401013.db2.gz TVBOEZJBZMQQFO-UHFFFAOYSA-N 1 3 365.481 2.785 20 0 FFADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(Cl)nc4c3CNCC4)c2c1 ZINC001160004006 1027560768 /nfs/dbraw/zinc/56/07/68/1027560768.db2.gz IKHTVKLSUZNNDO-GFCCVEGCSA-N 1 3 355.873 2.918 20 0 FFADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001160161052 1027617633 /nfs/dbraw/zinc/61/76/33/1027617633.db2.gz UBDLADGADQVWEB-ZWKOTPCHSA-N 1 3 365.468 2.696 20 0 FFADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001160161052 1027617636 /nfs/dbraw/zinc/61/76/36/1027617636.db2.gz UBDLADGADQVWEB-ZWKOTPCHSA-N 1 3 365.468 2.696 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCCOC)C[C@H]1C ZINC001103542166 1027659341 /nfs/dbraw/zinc/65/93/41/1027659341.db2.gz JKEMCUKWXHSQHA-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCCOC)C[C@H]1C ZINC001103542166 1027659347 /nfs/dbraw/zinc/65/93/47/1027659347.db2.gz JKEMCUKWXHSQHA-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1C ZINC001103614463 1027779710 /nfs/dbraw/zinc/77/97/10/1027779710.db2.gz PDZGDZUEWBFQDZ-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1C ZINC001103614463 1027779727 /nfs/dbraw/zinc/77/97/27/1027779727.db2.gz PDZGDZUEWBFQDZ-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2nc(C)c(C)s2)C[C@H]1C ZINC001103612887 1027782333 /nfs/dbraw/zinc/78/23/33/1027782333.db2.gz ZWCFLTHMFAYLKT-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2nc(C)c(C)s2)C[C@H]1C ZINC001103612887 1027782352 /nfs/dbraw/zinc/78/23/52/1027782352.db2.gz ZWCFLTHMFAYLKT-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C ZINC001103677162 1027960577 /nfs/dbraw/zinc/96/05/77/1027960577.db2.gz NSPNYWMIRFFVSR-VQIMIIECSA-N 1 3 354.498 2.578 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC001103677162 1027960585 /nfs/dbraw/zinc/96/05/85/1027960585.db2.gz NSPNYWMIRFFVSR-VQIMIIECSA-N 1 3 354.498 2.578 20 0 FFADHO C[C@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)[C@@H](N)CCC[NH3+] ZINC001160994117 1027961420 /nfs/dbraw/zinc/96/14/20/1027961420.db2.gz MJSDKNXTURBQBZ-UXPWSPDFSA-N 1 3 355.482 2.720 20 0 FFADHO CC[NH+]1CCC(CC2CCN(C(=O)C3(N)Cc4ccccc4C3)CC2)CC1 ZINC001161046438 1027986049 /nfs/dbraw/zinc/98/60/49/1027986049.db2.gz LFVFPNWXPWHPMA-UHFFFAOYSA-N 1 3 369.553 2.843 20 0 FFADHO N[C@@H](CC(F)F)C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001161145360 1028037137 /nfs/dbraw/zinc/03/71/37/1028037137.db2.gz CRSTYCWEWCKLKN-KRWDZBQOSA-N 1 3 365.468 2.874 20 0 FFADHO CN(C)CCN(C(=O)c1cc(Cl)c(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC001161450016 1028179221 /nfs/dbraw/zinc/17/92/21/1028179221.db2.gz XUWUCQVSWHKSNY-JTQLQIEISA-N 1 3 350.315 2.811 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001161526159 1028216441 /nfs/dbraw/zinc/21/64/41/1028216441.db2.gz JTAAXTYKISOUSQ-CTNGQTDRSA-N 1 3 371.500 2.506 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001161526159 1028216453 /nfs/dbraw/zinc/21/64/53/1028216453.db2.gz JTAAXTYKISOUSQ-CTNGQTDRSA-N 1 3 371.500 2.506 20 0 FFADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592464 1028245632 /nfs/dbraw/zinc/24/56/32/1028245632.db2.gz SEPANDFZXBSHHD-HOCLYGCPSA-N 1 3 367.415 2.538 20 0 FFADHO CC(C)N1CCN(c2ccc(N3C[C@H]([NH3+])Cc4ccccc43)cn2)CC1 ZINC001162847070 1028678202 /nfs/dbraw/zinc/67/82/02/1028678202.db2.gz HEMOEDVVIRIYLY-GOSISDBHSA-N 1 3 351.498 2.634 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3(C)CC[NH+](C)CC3)cc2)CC1 ZINC000780457594 1028704617 /nfs/dbraw/zinc/70/46/17/1028704617.db2.gz DBTGLTKISIZGAN-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC001163128454 1028813072 /nfs/dbraw/zinc/81/30/72/1028813072.db2.gz KYDAYCJLOCAECN-UHFFFAOYSA-N 1 3 359.478 2.707 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3cccc4c[nH+]cn43)cc2F)CC1 ZINC001155798512 1028917060 /nfs/dbraw/zinc/91/70/60/1028917060.db2.gz JLIUTMNLOONQBO-UHFFFAOYSA-N 1 3 367.428 2.868 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)OCCNC5)[C@H]3C2)cc1 ZINC001164483726 1029289939 /nfs/dbraw/zinc/28/99/39/1029289939.db2.gz CLWBMSLPQXMPPP-UFYCRDLUSA-N 1 3 364.493 2.886 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)OCCNC5)[C@H]3C2)cc1 ZINC001164483726 1029289950 /nfs/dbraw/zinc/28/99/50/1029289950.db2.gz CLWBMSLPQXMPPP-UFYCRDLUSA-N 1 3 364.493 2.886 20 0 FFADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157740355 1029653767 /nfs/dbraw/zinc/65/37/67/1029653767.db2.gz NPLYOFBLRQWVRB-IRLDBZIGSA-N 1 3 369.484 2.903 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cc4c(Cl)ccnc4cn3)CC2)CC1 ZINC001157842067 1029674220 /nfs/dbraw/zinc/67/42/20/1029674220.db2.gz LWOOVIWRVZWOFN-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO CCc1nc2sccc2c(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157847610 1029674546 /nfs/dbraw/zinc/67/45/46/1029674546.db2.gz CNIGZUFSKMPGEJ-UHFFFAOYSA-N 1 3 359.543 2.718 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(OC)c1)C2 ZINC001111926705 1029754656 /nfs/dbraw/zinc/75/46/56/1029754656.db2.gz DURZJVBYUCLRJS-RXVVDRJESA-N 1 3 359.514 2.508 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(OC)c1)C2 ZINC001111926705 1029754658 /nfs/dbraw/zinc/75/46/58/1029754658.db2.gz DURZJVBYUCLRJS-RXVVDRJESA-N 1 3 359.514 2.508 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3nc(Cl)ncc3-c3ccccc3)CC2)C1 ZINC001158260968 1029776232 /nfs/dbraw/zinc/77/62/32/1029776232.db2.gz IUZVQXFZPZJDOL-OAHLLOKOSA-N 1 3 357.889 2.799 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3nc(Cl)ncc3-c3ccccc3)CC2)C1 ZINC001158260968 1029776238 /nfs/dbraw/zinc/77/62/38/1029776238.db2.gz IUZVQXFZPZJDOL-OAHLLOKOSA-N 1 3 357.889 2.799 20 0 FFADHO [NH3+][C@@H](CSc1ccccc1)CC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336518 1029801448 /nfs/dbraw/zinc/80/14/48/1029801448.db2.gz MPGUBHLVHFFFMW-LSTHTHJFSA-N 1 3 367.518 2.594 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987224 1029837999 /nfs/dbraw/zinc/83/79/99/1029837999.db2.gz STHCUXYOXHIJEN-NSHGMRRFSA-N 1 3 353.526 2.971 20 0 FFADHO CN1CCN(Cc2ccc(Nc3ccccc3O[C@H]3CC[NH2+]C3)cc2)CC1 ZINC001165213665 1029901209 /nfs/dbraw/zinc/90/12/09/1029901209.db2.gz NHSFJBCSINEHJE-FQEVSTJZSA-N 1 3 366.509 2.918 20 0 FFADHO [NH3+]CCc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000841032748 1029992155 /nfs/dbraw/zinc/99/21/55/1029992155.db2.gz WKWQGZGFJOTSAQ-UHFFFAOYSA-N 1 3 350.422 2.596 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001112182271 1030166414 /nfs/dbraw/zinc/16/64/14/1030166414.db2.gz XVHSQFCVRUYTOS-ARFHVFGLSA-N 1 3 365.484 2.989 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841876440 1030515178 /nfs/dbraw/zinc/51/51/78/1030515178.db2.gz FKZFHYIETTWTCH-DYESRHJHSA-N 1 3 366.509 2.508 20 0 FFADHO Cc1nn(C)c(C)c1[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001204047618 1031058294 /nfs/dbraw/zinc/05/82/94/1031058294.db2.gz GSUTZQWRYXOGPT-UIAACRFSSA-N 1 3 356.514 2.713 20 0 FFADHO Cc1nn(C)c(C)c1[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001204047618 1031058305 /nfs/dbraw/zinc/05/83/05/1031058305.db2.gz GSUTZQWRYXOGPT-UIAACRFSSA-N 1 3 356.514 2.713 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccccn1)CC2 ZINC001204058509 1031069436 /nfs/dbraw/zinc/06/94/36/1031069436.db2.gz UTZXRNYXJWDZEU-NRFANRHFSA-N 1 3 366.509 2.980 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccccn1)CC2 ZINC001204058509 1031069452 /nfs/dbraw/zinc/06/94/52/1031069452.db2.gz UTZXRNYXJWDZEU-NRFANRHFSA-N 1 3 366.509 2.980 20 0 FFADHO Cc1cccc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)n1 ZINC001204065691 1031073232 /nfs/dbraw/zinc/07/32/32/1031073232.db2.gz FFZDIVVKBKBLHH-YPAWHYETSA-N 1 3 373.541 2.870 20 0 FFADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC(=O)C1CC1 ZINC000843045845 1031157006 /nfs/dbraw/zinc/15/70/06/1031157006.db2.gz LAFOWEKGMAIOQN-GOSISDBHSA-N 1 3 358.482 2.975 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC001204270249 1031196666 /nfs/dbraw/zinc/19/66/66/1031196666.db2.gz RMDZCWQRGKLWSS-UHFFFAOYSA-N 1 3 359.514 2.604 20 0 FFADHO C[NH+](C)CCOc1ccc(-c2noc([C@H]3CNCc4ccccc43)n2)cc1 ZINC000843178275 1031225026 /nfs/dbraw/zinc/22/50/26/1031225026.db2.gz LPMOSHYXHNDULV-IBGZPJMESA-N 1 3 364.449 2.912 20 0 FFADHO CCOC(=O)Nc1ccc2c(CN3CCC(C[NH2+]C)CC3)cc(=O)oc2c1 ZINC000843349187 1031341297 /nfs/dbraw/zinc/34/12/97/1031341297.db2.gz KUMANVOJYNEWAB-UHFFFAOYSA-N 1 3 373.453 2.793 20 0 FFADHO CC(=O)Nc1ccc2c(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000843385386 1031367904 /nfs/dbraw/zinc/36/79/04/1031367904.db2.gz GQDLNJUWHIFAAX-MRXNPFEDSA-N 1 3 369.465 2.573 20 0 FFADHO COc1ccc(OCc2ccccc2)c(CN2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205240067 1031618955 /nfs/dbraw/zinc/61/89/55/1031618955.db2.gz HOUALKGNVCMLSQ-JOCHJYFZSA-N 1 3 370.493 2.950 20 0 FFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205428663 1031737786 /nfs/dbraw/zinc/73/77/86/1031737786.db2.gz HGSMZEXUNFNPAS-NZSAHSFTSA-N 1 3 367.484 2.800 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccccn3)CCCCC2)CC[N@@H+]1C ZINC001115544937 1031822340 /nfs/dbraw/zinc/82/23/40/1031822340.db2.gz IWLMQKAFHXPGGL-RBUKOAKNSA-N 1 3 358.530 2.721 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccccn3)CCCCC2)CC[N@H+]1C ZINC001115544937 1031822357 /nfs/dbraw/zinc/82/23/57/1031822357.db2.gz IWLMQKAFHXPGGL-RBUKOAKNSA-N 1 3 358.530 2.721 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1F ZINC001205654243 1031908548 /nfs/dbraw/zinc/90/85/48/1031908548.db2.gz YKIRQKYJEIIRGX-IMFGXOCKSA-N 1 3 361.505 2.994 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001205654254 1031909213 /nfs/dbraw/zinc/90/92/13/1031909213.db2.gz YSPJNRBVLODTBA-IMFGXOCKSA-N 1 3 361.505 2.852 20 0 FFADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc3ncc(Br)cc3c2)C1 ZINC001205725370 1031957021 /nfs/dbraw/zinc/95/70/21/1031957021.db2.gz GIVYDSBUACWVLD-KRWDZBQOSA-N 1 3 364.287 2.673 20 0 FFADHO Cc1cccc(C[C@]2(C(=O)Nc3cc([C@@H]4CCCN4)no3)CCC[NH2+]2)c1 ZINC001218710668 1033294896 /nfs/dbraw/zinc/29/48/96/1033294896.db2.gz GXDHVEHLPDFOCX-JXFKEZNVSA-N 1 3 354.454 2.711 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001218715903 1033300377 /nfs/dbraw/zinc/30/03/77/1033300377.db2.gz PKYUDNACXFMIGB-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1ccc(F)c(CN2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)c1 ZINC001223393844 1033425517 /nfs/dbraw/zinc/42/55/17/1033425517.db2.gz VWAIIOSSMFVDJJ-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223402575 1033430111 /nfs/dbraw/zinc/43/01/11/1033430111.db2.gz ODFFTEYUTBRJKB-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223402575 1033430116 /nfs/dbraw/zinc/43/01/16/1033430116.db2.gz ODFFTEYUTBRJKB-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@@H+]1C ZINC001223442810 1033447440 /nfs/dbraw/zinc/44/74/40/1033447440.db2.gz IJJVYTODEWMTLH-YESZJQIVSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@H+]1C ZINC001223442810 1033447448 /nfs/dbraw/zinc/44/74/48/1033447448.db2.gz IJJVYTODEWMTLH-YESZJQIVSA-N 1 3 364.559 2.913 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001219029848 1033477259 /nfs/dbraw/zinc/47/72/59/1033477259.db2.gz QJXSAURLEDRDQT-APWZRJJASA-N 1 3 351.450 2.848 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037269 1033482590 /nfs/dbraw/zinc/48/25/90/1033482590.db2.gz BDKOLCHDKATQHB-FPMVPNIMSA-N 1 3 363.546 2.520 20 0 FFADHO O=C(Nc1cccc2ccc(-c3ccccc3)nc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001219220068 1033560197 /nfs/dbraw/zinc/56/01/97/1033560197.db2.gz ATUBYRLYLFEEAL-KRWDZBQOSA-N 1 3 358.445 2.649 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCOC)[C@H]2C1 ZINC001223883858 1033625690 /nfs/dbraw/zinc/62/56/90/1033625690.db2.gz YTVNGMOOBTYWJN-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCOC)[C@H]2C1 ZINC001223883858 1033625700 /nfs/dbraw/zinc/62/57/00/1033625700.db2.gz YTVNGMOOBTYWJN-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955878 1033658413 /nfs/dbraw/zinc/65/84/13/1033658413.db2.gz UPABCGUEAGKPOA-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO C[C@H]1CC[C@H](NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C[NH2+]1 ZINC001219582848 1033703806 /nfs/dbraw/zinc/70/38/06/1033703806.db2.gz LOFQRGSLKOAHPP-UWJYYQICSA-N 1 3 363.505 2.965 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074038 1033972733 /nfs/dbraw/zinc/97/27/33/1033972733.db2.gz UUVDUZZCHHUQLR-KPDZFXRVSA-N 1 3 365.562 2.549 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074038 1033972740 /nfs/dbraw/zinc/97/27/40/1033972740.db2.gz UUVDUZZCHHUQLR-KPDZFXRVSA-N 1 3 365.562 2.549 20 0 FFADHO N[C@@H](CC(F)F)C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001220542167 1034248731 /nfs/dbraw/zinc/24/87/31/1034248731.db2.gz NILAZOGFCSQXHN-LMNGEROHSA-N 1 3 351.441 2.624 20 0 FFADHO Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001138465651 1034299820 /nfs/dbraw/zinc/29/98/20/1034299820.db2.gz QWBFIWVHJLVFHF-KRWDZBQOSA-N 1 3 372.469 2.666 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001220716638 1034353373 /nfs/dbraw/zinc/35/33/73/1034353373.db2.gz MPNCEKPDVYHSSB-GNBUJSLZSA-N 1 3 373.541 2.865 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001220716638 1034353386 /nfs/dbraw/zinc/35/33/86/1034353386.db2.gz MPNCEKPDVYHSSB-GNBUJSLZSA-N 1 3 373.541 2.865 20 0 FFADHO N[C@H](CC(=O)NCc1ccccc1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001220855005 1034432099 /nfs/dbraw/zinc/43/20/99/1034432099.db2.gz HSENWGCJVGSBLJ-MRXNPFEDSA-N 1 3 351.372 2.870 20 0 FFADHO CC(C)C(=O)N1CCC[C@]12CCN(Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771015 1034637484 /nfs/dbraw/zinc/63/74/84/1034637484.db2.gz AEHLUJQKOIXYGR-JOCHJYFZSA-N 1 3 373.541 2.850 20 0 FFADHO CC(=O)N1CCCCC12CCN(Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC001138771066 1034637813 /nfs/dbraw/zinc/63/78/13/1034637813.db2.gz CBEBTEVZFDKGCU-UHFFFAOYSA-N 1 3 373.541 2.994 20 0 FFADHO CCc1noc([C@@H]2CCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC001138773085 1034641188 /nfs/dbraw/zinc/64/11/88/1034641188.db2.gz PWLZNDVZAVZSRZ-QGZVFWFLSA-N 1 3 358.486 2.952 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CCCCN2C2CC2)([NH+](C)C)C1 ZINC001221294355 1034655086 /nfs/dbraw/zinc/65/50/86/1034655086.db2.gz QUTXXQPHWPEVJK-KPFFTGBYSA-N 1 3 350.551 2.813 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC(C)C ZINC001226613499 1034756217 /nfs/dbraw/zinc/75/62/17/1034756217.db2.gz JMIOGMJEIFFRGI-QRVBRYPASA-N 1 3 353.551 2.550 20 0 FFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2)C1CC1 ZINC001226801117 1034845625 /nfs/dbraw/zinc/84/56/25/1034845625.db2.gz SHYXKLSWRCFNFD-NJDAHSKKSA-N 1 3 371.525 2.574 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001226800802 1034846450 /nfs/dbraw/zinc/84/64/50/1034846450.db2.gz OJBIYPPIBQEHBL-AQNXPRMDSA-N 1 3 359.514 2.552 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1)C1CCC1 ZINC001226818722 1034851917 /nfs/dbraw/zinc/85/19/17/1034851917.db2.gz RHAJWINFSNPQDT-WOJBJXKFSA-N 1 3 359.514 2.567 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001226901851 1034878965 /nfs/dbraw/zinc/87/89/65/1034878965.db2.gz KGYSVXJVYJSNGJ-PMACEKPBSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001226901851 1034878977 /nfs/dbraw/zinc/87/89/77/1034878977.db2.gz KGYSVXJVYJSNGJ-PMACEKPBSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H]1CC[C@@H](COc2c(CN(C)C)cc(C[NH+](C)C)cc2CN(C)C)O1 ZINC001227160762 1034957040 /nfs/dbraw/zinc/95/70/40/1034957040.db2.gz ULOKPSBFLRGRIC-JXFKEZNVSA-N 1 3 363.546 2.818 20 0 FFADHO CCc1ccccc1CCN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773016 1035057872 /nfs/dbraw/zinc/05/78/72/1035057872.db2.gz VGMQXCMVUBCVAA-NHCUHLMSSA-N 1 3 369.553 2.666 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3C3CC3)C[C@H]21 ZINC001221921799 1035157446 /nfs/dbraw/zinc/15/74/46/1035157446.db2.gz JSRTUHICGCJVQQ-TZIWHRDSSA-N 1 3 355.526 2.939 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3C3CC3)C[C@H]21 ZINC001221921799 1035157451 /nfs/dbraw/zinc/15/74/51/1035157451.db2.gz JSRTUHICGCJVQQ-TZIWHRDSSA-N 1 3 355.526 2.939 20 0 FFADHO CNc1nccc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001140040545 1035317320 /nfs/dbraw/zinc/31/73/20/1035317320.db2.gz DYHPLEVNLVJGCE-UHFFFAOYSA-N 1 3 366.513 2.790 20 0 FFADHO CNc1nccc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001140040545 1035317323 /nfs/dbraw/zinc/31/73/23/1035317323.db2.gz DYHPLEVNLVJGCE-UHFFFAOYSA-N 1 3 366.513 2.790 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C)[NH+](CC)CC ZINC001228559408 1036179388 /nfs/dbraw/zinc/17/93/88/1036179388.db2.gz RNLHOKZXTAAKQE-QRVBRYPASA-N 1 3 364.534 2.929 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1)CC(C)(C)C ZINC001228647376 1036231564 /nfs/dbraw/zinc/23/15/64/1036231564.db2.gz SARITGIQVUIXBY-RTBURBONSA-N 1 3 367.578 2.798 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC001228933065 1036415522 /nfs/dbraw/zinc/41/55/22/1036415522.db2.gz ZPIVPOINGGHBRW-VAMGGRTRSA-N 1 3 365.562 2.693 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001228932248 1036415690 /nfs/dbraw/zinc/41/56/90/1036415690.db2.gz KWRXVEFQMKVBHN-VAMGGRTRSA-N 1 3 367.578 2.939 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(O)c(OCC4CC4)c3)CC2)CC1 ZINC001233229004 1036447620 /nfs/dbraw/zinc/44/76/20/1036447620.db2.gz BBEKYIQARNEEMP-UHFFFAOYSA-N 1 3 373.541 2.640 20 0 FFADHO CCOC(=O)c1cn2cccc(CN3CCC4(CC3)CC[NH+](C)CC4)c2n1 ZINC001233460068 1036639090 /nfs/dbraw/zinc/63/90/90/1036639090.db2.gz JZRHZSRQIUMQRA-UHFFFAOYSA-N 1 3 370.497 2.819 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC001229587384 1036764788 /nfs/dbraw/zinc/76/47/88/1036764788.db2.gz BLOVCGJJCXWYPL-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001229808743 1036913334 /nfs/dbraw/zinc/91/33/34/1036913334.db2.gz WZORPIAUCLOLMA-IAGOWNOFSA-N 1 3 366.937 2.984 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC001229869030 1036947676 /nfs/dbraw/zinc/94/76/76/1036947676.db2.gz VNBBTWHHGXGFMU-WOJBJXKFSA-N 1 3 361.530 2.562 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001230257387 1037179985 /nfs/dbraw/zinc/17/99/85/1037179985.db2.gz QMEXGLLMGYNWIE-IAGOWNOFSA-N 1 3 350.532 2.536 20 0 FFADHO Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cc1 ZINC001230274860 1037186879 /nfs/dbraw/zinc/18/68/79/1037186879.db2.gz PNLVHTUXYQMVMR-WOJBJXKFSA-N 1 3 361.530 2.731 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2ccc(Cl)cc2[nH]1 ZINC001277897690 1037198900 /nfs/dbraw/zinc/19/89/00/1037198900.db2.gz IIPPOBMRXUEKLU-RTBURBONSA-N 1 3 374.916 2.948 20 0 FFADHO CCOC(=O)[C@H]1CN(CC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC001207293280 1037321391 /nfs/dbraw/zinc/32/13/91/1037321391.db2.gz GZMOVNNROATOOT-LJQANCHMSA-N 1 3 362.539 2.879 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(C)c(C)nc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235349451 1037494570 /nfs/dbraw/zinc/49/45/70/1037494570.db2.gz PELCGOANCMPXNV-LPHOPBHVSA-N 1 3 365.905 2.717 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cccc(Cl)c3F)C[C@@H]1CC[NH2+]CC2 ZINC001235348548 1037495021 /nfs/dbraw/zinc/49/50/21/1037495021.db2.gz CVZDYCHLMYBPRH-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(C)c(F)c(F)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235351036 1037497680 /nfs/dbraw/zinc/49/76/80/1037497680.db2.gz CGMKQOBRKMZCRA-KXBFYZLASA-N 1 3 352.425 2.638 20 0 FFADHO c1ccc([C@@]23CC[NH2+]C[C@H]2CN(Cc2nc4c(s2)CNCC4)CC3)cc1 ZINC001235386675 1037518623 /nfs/dbraw/zinc/51/86/23/1037518623.db2.gz WSGHVJIGYRMPCS-UWJYYQICSA-N 1 3 368.550 2.542 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C[C@@H]2Cc3ccccc3C[NH2+]2)o1 ZINC001235489837 1037584084 /nfs/dbraw/zinc/58/40/84/1037584084.db2.gz KOKPUGAFKVHZAJ-NNWRFLSQSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207601257 1037591849 /nfs/dbraw/zinc/59/18/49/1037591849.db2.gz FFRHFCZNTHBAOA-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207601257 1037591865 /nfs/dbraw/zinc/59/18/65/1037591865.db2.gz FFRHFCZNTHBAOA-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO COc1ccc(OC)c(CN2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001235663043 1037670099 /nfs/dbraw/zinc/67/00/99/1037670099.db2.gz PUPSYPOLJCNYCD-UHFFFAOYSA-N 1 3 373.541 2.601 20 0 FFADHO c1ccc(OCC2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001235673226 1037673965 /nfs/dbraw/zinc/67/39/65/1037673965.db2.gz BOBCDGDXYCYNTC-UHFFFAOYSA-N 1 3 366.509 2.782 20 0 FFADHO C[C@@H](c1ccccc1)N1CCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001235864157 1037803067 /nfs/dbraw/zinc/80/30/67/1037803067.db2.gz MSGYGJGJZMJRCL-FQEVSTJZSA-N 1 3 364.537 2.975 20 0 FFADHO FC(F)(F)c1ccc2c(c1)C1(CO2)CC[NH+](CC[C@H]2CNCCO2)CC1 ZINC001236006770 1037884886 /nfs/dbraw/zinc/88/48/86/1037884886.db2.gz UJEJKDFYMXMGDC-HNNXBMFYSA-N 1 3 370.415 2.810 20 0 FFADHO CN(Cc1ccc(-n2ccnc2)cc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236181350 1037969891 /nfs/dbraw/zinc/96/98/91/1037969891.db2.gz IRFJWKULNLIXBE-UHFFFAOYSA-N 1 3 361.493 2.914 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208092396 1038027112 /nfs/dbraw/zinc/02/71/12/1038027112.db2.gz PKHKXYHSPYDABG-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO COc1cc(Br)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(OC)c1 ZINC001236314416 1038039618 /nfs/dbraw/zinc/03/96/18/1038039618.db2.gz DKJZDGAIVDJKAH-BETUJISGSA-N 1 3 369.303 2.898 20 0 FFADHO COc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1OC ZINC001236322105 1038045616 /nfs/dbraw/zinc/04/56/16/1038045616.db2.gz PPFBQUCNRDIBGY-BETUJISGSA-N 1 3 369.303 2.898 20 0 FFADHO Fc1ccc(CN(Cc2cc3c(cn2)OCCO3)CC2CC[NH2+]CC2)cc1 ZINC001236381825 1038065671 /nfs/dbraw/zinc/06/56/71/1038065671.db2.gz MDNRTXHAILCABH-UHFFFAOYSA-N 1 3 371.456 2.994 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128935 1038068578 /nfs/dbraw/zinc/06/85/78/1038068578.db2.gz LZKJGWNIIZQMHK-IEBWSBKVSA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128935 1038068601 /nfs/dbraw/zinc/06/86/01/1038068601.db2.gz LZKJGWNIIZQMHK-IEBWSBKVSA-N 1 3 353.551 2.503 20 0 FFADHO Cc1ccc([C@H](C)CC[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)o1 ZINC001208153333 1038093637 /nfs/dbraw/zinc/09/36/37/1038093637.db2.gz CKYADAIGTQAHBV-QGZVFWFLSA-N 1 3 371.525 2.906 20 0 FFADHO Cc1ccc([C@H](C)CC[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)o1 ZINC001208153333 1038093658 /nfs/dbraw/zinc/09/36/58/1038093658.db2.gz CKYADAIGTQAHBV-QGZVFWFLSA-N 1 3 371.525 2.906 20 0 FFADHO Fc1ccc(CN(Cc2ccc3n2CCNC3)C2CC[NH2+]CC2)cc1F ZINC001236500056 1038110760 /nfs/dbraw/zinc/11/07/60/1038110760.db2.gz JVJQKEKDDSXAMS-UHFFFAOYSA-N 1 3 360.452 2.624 20 0 FFADHO COc1cccc(O[C@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC001236535444 1038121547 /nfs/dbraw/zinc/12/15/47/1038121547.db2.gz IAWMHXZLSXNABI-HNNXBMFYSA-N 1 3 359.495 2.841 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232146173 1038195541 /nfs/dbraw/zinc/19/55/41/1038195541.db2.gz KHIYURKWRDMMIX-NRFANRHFSA-N 1 3 363.521 2.963 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232146173 1038195546 /nfs/dbraw/zinc/19/55/46/1038195546.db2.gz KHIYURKWRDMMIX-NRFANRHFSA-N 1 3 363.521 2.963 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c1 ZINC001232147983 1038198116 /nfs/dbraw/zinc/19/81/16/1038198116.db2.gz FFIOGLPCKJASIZ-ROUUACIJSA-N 1 3 371.456 2.684 20 0 FFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(Br)[nH]3)(C1)CCC2 ZINC001278897734 1038261480 /nfs/dbraw/zinc/26/14/80/1038261480.db2.gz FTECCFDJKNBPJR-DLBZAZTESA-N 1 3 369.351 2.863 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001255939342 1038264040 /nfs/dbraw/zinc/26/40/40/1038264040.db2.gz CBDUKGVAZCXWQM-IRXDYDNUSA-N 1 3 369.550 2.722 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001255939342 1038264044 /nfs/dbraw/zinc/26/40/44/1038264044.db2.gz CBDUKGVAZCXWQM-IRXDYDNUSA-N 1 3 369.550 2.722 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255941668 1038265749 /nfs/dbraw/zinc/26/57/49/1038265749.db2.gz WPTBJPAGLIKDNM-ABSDTBQOSA-N 1 3 369.550 2.580 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001255953111 1038271253 /nfs/dbraw/zinc/27/12/53/1038271253.db2.gz IZPQAGSQVTYUKX-KRWDZBQOSA-N 1 3 370.582 2.686 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C2CCOCC2)CC1 ZINC001255954254 1038271276 /nfs/dbraw/zinc/27/12/76/1038271276.db2.gz ZLUAZKHINFUNJN-WDSOQIARSA-N 1 3 353.551 2.550 20 0 FFADHO CN1CCN(c2cccc(CN3CCC([NH+]4CCCCC4)CC3)c2)CC1 ZINC001236889030 1038332863 /nfs/dbraw/zinc/33/28/63/1038332863.db2.gz VDBDCVLAORAWOZ-UHFFFAOYSA-N 1 3 356.558 2.889 20 0 FFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(C)s1 ZINC001208517445 1038378649 /nfs/dbraw/zinc/37/86/49/1038378649.db2.gz IYXRTODQSRJOTC-FSPWUOQZSA-N 1 3 351.560 2.888 20 0 FFADHO C[NH+]1CCC(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)CC1 ZINC001256207980 1038433903 /nfs/dbraw/zinc/43/39/03/1038433903.db2.gz TXDHMMLYNVPIMD-IBGZPJMESA-N 1 3 364.484 2.709 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1cc(Br)co1)CC2 ZINC001278930313 1038480304 /nfs/dbraw/zinc/48/03/04/1038480304.db2.gz CRUAEMJMOCTIBC-UHFFFAOYSA-N 1 3 356.308 2.502 20 0 FFADHO CCN1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001256545044 1038552345 /nfs/dbraw/zinc/55/23/45/1038552345.db2.gz BHNQUPJMDIOKJQ-VXSCBNMQSA-N 1 3 357.542 2.692 20 0 FFADHO CCN1CCO[C@@H]2C[N@H+]([C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001256545044 1038552351 /nfs/dbraw/zinc/55/23/51/1038552351.db2.gz BHNQUPJMDIOKJQ-VXSCBNMQSA-N 1 3 357.542 2.692 20 0 FFADHO C[C@H]1C[C@H](N2CCN(CCC(C)(C)O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256561182 1038560346 /nfs/dbraw/zinc/56/03/46/1038560346.db2.gz WADWQNOJTGSSMW-PZJWPPBQSA-N 1 3 359.558 2.818 20 0 FFADHO C[C@H]1C[C@H](N2CCN(CCC(C)(C)O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256561182 1038560358 /nfs/dbraw/zinc/56/03/58/1038560358.db2.gz WADWQNOJTGSSMW-PZJWPPBQSA-N 1 3 359.558 2.818 20 0 FFADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001256565380 1038563180 /nfs/dbraw/zinc/56/31/80/1038563180.db2.gz FRPSRNGOLCZAMF-UHFFFAOYSA-N 1 3 358.530 2.786 20 0 FFADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC001256565896 1038563388 /nfs/dbraw/zinc/56/33/88/1038563388.db2.gz MRBNQYHCUFWQKG-UHFFFAOYSA-N 1 3 358.530 2.786 20 0 FFADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677054 1038598646 /nfs/dbraw/zinc/59/86/46/1038598646.db2.gz KDSIWPPCQJITOJ-UHFFFAOYSA-N 1 3 355.523 2.523 20 0 FFADHO Fc1cccc(Cn2cncc2C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256680947 1038600587 /nfs/dbraw/zinc/60/05/87/1038600587.db2.gz FXJRSRZWYLTQKH-UHFFFAOYSA-N 1 3 372.488 2.804 20 0 FFADHO CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256686669 1038602810 /nfs/dbraw/zinc/60/28/10/1038602810.db2.gz AYLHPYRGJZDBBS-XXPXZNGOSA-N 1 3 367.534 2.665 20 0 FFADHO COc1ccc(CC[N@H+](C)C2CCC(N3CCOCC3)CC2)cc1OC ZINC001256688602 1038604148 /nfs/dbraw/zinc/60/41/48/1038604148.db2.gz GXBBBICHHIUONC-UHFFFAOYSA-N 1 3 362.514 2.822 20 0 FFADHO COc1ccc(CC[N@@H+](C)C2CCC(N3CCOCC3)CC2)cc1OC ZINC001256688602 1038604152 /nfs/dbraw/zinc/60/41/52/1038604152.db2.gz GXBBBICHHIUONC-UHFFFAOYSA-N 1 3 362.514 2.822 20 0 FFADHO CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208976744 1038614420 /nfs/dbraw/zinc/61/44/20/1038614420.db2.gz RBANWOLRUSSLGO-YPAWHYETSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208976744 1038614423 /nfs/dbraw/zinc/61/44/23/1038614423.db2.gz RBANWOLRUSSLGO-YPAWHYETSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001208976744 1038614425 /nfs/dbraw/zinc/61/44/25/1038614425.db2.gz RBANWOLRUSSLGO-YPAWHYETSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001208976744 1038614426 /nfs/dbraw/zinc/61/44/26/1038614426.db2.gz RBANWOLRUSSLGO-YPAWHYETSA-N 1 3 355.526 2.699 20 0 FFADHO C[NH+]1CCC2(CN(CC[C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)CC1 ZINC001209014826 1038632875 /nfs/dbraw/zinc/63/28/75/1038632875.db2.gz YMQRSSFQBSEONO-INIZCTEOSA-N 1 3 367.534 2.776 20 0 FFADHO O[C@@H](C[NH2+]CCCN1CCCC1)COCc1c(Cl)cccc1Cl ZINC001250888966 1038783239 /nfs/dbraw/zinc/78/32/39/1038783239.db2.gz AJIAONZNLNYMMN-AWEZNQCLSA-N 1 3 361.313 2.946 20 0 FFADHO CCN1C[C@@H]2C[N@@H+](C[C@H](O)COCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001250906780 1038798918 /nfs/dbraw/zinc/79/89/18/1038798918.db2.gz LKRIUIWBYRWZHV-ZNMIVQPWSA-N 1 3 373.324 2.754 20 0 FFADHO CCN1C[C@@H]2C[N@H+](C[C@H](O)COCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001250906780 1038798937 /nfs/dbraw/zinc/79/89/37/1038798937.db2.gz LKRIUIWBYRWZHV-ZNMIVQPWSA-N 1 3 373.324 2.754 20 0 FFADHO O=C1[C@@H]2CN(CCC[NH+]3CCCCC3)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001209450596 1038874767 /nfs/dbraw/zinc/87/47/67/1038874767.db2.gz SMZCVLPNZOHEOX-UYAOXDASSA-N 1 3 359.489 2.592 20 0 FFADHO c1ccc(O[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CCCN2CCCCC2)C3)nc1 ZINC001209450560 1038877629 /nfs/dbraw/zinc/87/76/29/1038877629.db2.gz NGKIDGNCCTYILK-PZJWPPBQSA-N 1 3 359.514 2.960 20 0 FFADHO c1ccc(O[C@@H]2CO[C@@]3(C2)CCC[N@H+](CCCN2CCCCC2)C3)nc1 ZINC001209450560 1038877656 /nfs/dbraw/zinc/87/76/56/1038877656.db2.gz NGKIDGNCCTYILK-PZJWPPBQSA-N 1 3 359.514 2.960 20 0 FFADHO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450504 1038878167 /nfs/dbraw/zinc/87/81/67/1038878167.db2.gz MBJYWSIWSZIVPY-FQEVSTJZSA-N 1 3 370.541 2.738 20 0 FFADHO Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CO2 ZINC001257954009 1039080734 /nfs/dbraw/zinc/08/07/34/1039080734.db2.gz HDOXBHAYJPTASH-KZNAEPCWSA-N 1 3 350.890 2.877 20 0 FFADHO Cc1nc2ccccn2c1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001209648005 1039103276 /nfs/dbraw/zinc/10/32/76/1039103276.db2.gz VNVGCGHFAQGKQS-UHFFFAOYSA-N 1 3 356.514 2.967 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCOc1ccc(Cl)cc1 ZINC001245986589 1039176219 /nfs/dbraw/zinc/17/62/19/1039176219.db2.gz YIFVHYPGRRORNQ-ZWKOTPCHSA-N 1 3 370.827 2.518 20 0 FFADHO Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001245996023 1039182962 /nfs/dbraw/zinc/18/29/62/1039182962.db2.gz PSRWTFKIRYSDLF-ZWKOTPCHSA-N 1 3 363.299 2.778 20 0 FFADHO C[C@@H]1C[NH+](CCc2nnc(-c3cnccc3N3CCCCC3)o2)C[C@@H](C)O1 ZINC001258120780 1039193195 /nfs/dbraw/zinc/19/31/95/1039193195.db2.gz SYMIACSKJUXSEV-HZPDHXFCSA-N 1 3 371.485 2.774 20 0 FFADHO C[N@H+](CCc1cccc(F)c1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246052361 1039220086 /nfs/dbraw/zinc/22/00/86/1039220086.db2.gz KMTFYXKPUPQZBP-RBUKOAKNSA-N 1 3 352.400 2.509 20 0 FFADHO C[N@@H+](CCc1cccc(F)c1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246052361 1039220094 /nfs/dbraw/zinc/22/00/94/1039220094.db2.gz KMTFYXKPUPQZBP-RBUKOAKNSA-N 1 3 352.400 2.509 20 0 FFADHO CCN(C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC001246055703 1039226749 /nfs/dbraw/zinc/22/67/49/1039226749.db2.gz NKIFOAFGZHKUKJ-IBGZPJMESA-N 1 3 362.514 2.576 20 0 FFADHO CC[N@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001246055703 1039226761 /nfs/dbraw/zinc/22/67/61/1039226761.db2.gz NKIFOAFGZHKUKJ-IBGZPJMESA-N 1 3 362.514 2.576 20 0 FFADHO CC[N@@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001246055703 1039226776 /nfs/dbraw/zinc/22/67/76/1039226776.db2.gz NKIFOAFGZHKUKJ-IBGZPJMESA-N 1 3 362.514 2.576 20 0 FFADHO CN(C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1(C)CC[NH2+]CC1 ZINC001246068606 1039237170 /nfs/dbraw/zinc/23/71/70/1039237170.db2.gz VTUWUUOIFRQZLS-SFHVURJKSA-N 1 3 362.514 2.576 20 0 FFADHO C[N@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1(C)CCNCC1 ZINC001246068606 1039237179 /nfs/dbraw/zinc/23/71/79/1039237179.db2.gz VTUWUUOIFRQZLS-SFHVURJKSA-N 1 3 362.514 2.576 20 0 FFADHO C[N@@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1(C)CCNCC1 ZINC001246068606 1039237188 /nfs/dbraw/zinc/23/71/88/1039237188.db2.gz VTUWUUOIFRQZLS-SFHVURJKSA-N 1 3 362.514 2.576 20 0 FFADHO CC(C)([NH3+])CN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246098849 1039244369 /nfs/dbraw/zinc/24/43/69/1039244369.db2.gz FTAKATVLACOFEE-KFWWJZLASA-N 1 3 370.534 2.782 20 0 FFADHO C[C@@H]([NH3+])CCN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246304260 1039305350 /nfs/dbraw/zinc/30/53/50/1039305350.db2.gz KUIRVZOIUOKBHL-LVQVYYBASA-N 1 3 370.534 2.782 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CCCCN1CN[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246350622 1039319777 /nfs/dbraw/zinc/31/97/77/1039319777.db2.gz NMHQDUSXDVNYNF-DLBZAZTESA-N 1 3 351.535 2.652 20 0 FFADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258336552 1039321072 /nfs/dbraw/zinc/32/10/72/1039321072.db2.gz BGIYKCAOIVOIMW-NCOADZHNSA-N 1 3 351.564 2.593 20 0 FFADHO CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258336552 1039321087 /nfs/dbraw/zinc/32/10/87/1039321087.db2.gz BGIYKCAOIVOIMW-NCOADZHNSA-N 1 3 351.564 2.593 20 0 FFADHO CCn1c2ccccc2nc1N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246403968 1039342443 /nfs/dbraw/zinc/34/24/43/1039342443.db2.gz GHSFHMTUAHUZRV-SOABOVLPSA-N 1 3 353.514 2.898 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](C3CCC(C(F)(F)F)CC3)C[C@@H]1CNCCC2 ZINC001246594599 1039409107 /nfs/dbraw/zinc/40/91/07/1039409107.db2.gz KAYLHKPNKLTLHW-INTUILBWSA-N 1 3 362.436 2.972 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](C3CCC(C(F)(F)F)CC3)C[C@@H]1CNCCC2 ZINC001246594599 1039409114 /nfs/dbraw/zinc/40/91/14/1039409114.db2.gz KAYLHKPNKLTLHW-INTUILBWSA-N 1 3 362.436 2.972 20 0 FFADHO CC(=O)Oc1ccc(C2CCC([N@@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246620781 1039417908 /nfs/dbraw/zinc/41/79/08/1039417908.db2.gz ZBZJVQICRHVQIR-SUOYUTEQSA-N 1 3 371.525 2.664 20 0 FFADHO CC(=O)Oc1ccc(C2CCC([N@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246620781 1039417914 /nfs/dbraw/zinc/41/79/14/1039417914.db2.gz ZBZJVQICRHVQIR-SUOYUTEQSA-N 1 3 371.525 2.664 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC001210180051 1039420931 /nfs/dbraw/zinc/42/09/31/1039420931.db2.gz XIJGUTXEIYBUPU-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC001210180051 1039420938 /nfs/dbraw/zinc/42/09/38/1039420938.db2.gz XIJGUTXEIYBUPU-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001246637045 1039424846 /nfs/dbraw/zinc/42/48/46/1039424846.db2.gz XEWPPLHXZIAQIZ-MAUKXSAKSA-N 1 3 371.447 2.934 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCNC[C@]2(CCCCN2)C1 ZINC001246637045 1039424854 /nfs/dbraw/zinc/42/48/54/1039424854.db2.gz XEWPPLHXZIAQIZ-MAUKXSAKSA-N 1 3 371.447 2.934 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCNC[C@]2(CCCCN2)C1 ZINC001246637045 1039424861 /nfs/dbraw/zinc/42/48/61/1039424861.db2.gz XEWPPLHXZIAQIZ-MAUKXSAKSA-N 1 3 371.447 2.934 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)[C@H]2CC[NH2+][C@@H](C)C2)c2c1CNCC2 ZINC001246702592 1039443180 /nfs/dbraw/zinc/44/31/80/1039443180.db2.gz HJTPOKMDTJPGTQ-GJZGRUSLSA-N 1 3 374.558 2.713 20 0 FFADHO CNC(=O)C[C@@H]1CC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c2ccccc21 ZINC001246766812 1039472154 /nfs/dbraw/zinc/47/21/54/1039472154.db2.gz PSXIWXACTLBVFF-KAKFPZCNSA-N 1 3 367.537 2.927 20 0 FFADHO CC(C)CN1c2ccccc2[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1=O ZINC001246778972 1039478699 /nfs/dbraw/zinc/47/86/99/1039478699.db2.gz QYRHEOTUZHZRMO-XSHPBHPISA-N 1 3 353.510 2.916 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246805891 1039486173 /nfs/dbraw/zinc/48/61/73/1039486173.db2.gz KVEVCSUMGNKASS-DLBZAZTESA-N 1 3 352.320 2.880 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246805891 1039486198 /nfs/dbraw/zinc/48/61/98/1039486198.db2.gz KVEVCSUMGNKASS-DLBZAZTESA-N 1 3 352.320 2.880 20 0 FFADHO COCC[N@H+](C1CCC(OC(=O)c2ccccc2)CC1)[C@@H]1CCCNC1 ZINC001246931671 1039538849 /nfs/dbraw/zinc/53/88/49/1039538849.db2.gz XVFOUWAAYGVGQF-IOJLRTSASA-N 1 3 360.498 2.855 20 0 FFADHO COCC[N@@H+](C1CCC(OC(=O)c2ccccc2)CC1)[C@@H]1CCCNC1 ZINC001246931671 1039538855 /nfs/dbraw/zinc/53/88/55/1039538855.db2.gz XVFOUWAAYGVGQF-IOJLRTSASA-N 1 3 360.498 2.855 20 0 FFADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210432994 1039543170 /nfs/dbraw/zinc/54/31/70/1039543170.db2.gz KAORUTZEKFRFOD-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO CCCC[C@H](CC)COC[C@@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001253031649 1039934797 /nfs/dbraw/zinc/93/47/97/1039934797.db2.gz RVNWLGGWHQUNST-TUFLPTIASA-N 1 3 370.578 2.813 20 0 FFADHO FC(F)(F)c1cc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)ccc1Cl ZINC001247831214 1039978270 /nfs/dbraw/zinc/97/82/70/1039978270.db2.gz RDVIRUVYHKNLNF-JTQLQIEISA-N 1 3 358.751 2.685 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+][C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC001253208474 1040045234 /nfs/dbraw/zinc/04/52/34/1040045234.db2.gz RHIYVRGSNRZDEH-NQIIRXRSSA-N 1 3 356.510 2.603 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366624 1040108802 /nfs/dbraw/zinc/10/88/02/1040108802.db2.gz GODBNFMKKWIVQC-RLLQIKCJSA-N 1 3 365.562 2.503 20 0 FFADHO CCC[N@H+](C[C@H](O)CNC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253396012 1040151584 /nfs/dbraw/zinc/15/15/84/1040151584.db2.gz RIKTYAADMPZZOY-QGZVFWFLSA-N 1 3 371.566 2.847 20 0 FFADHO CCC[N@@H+](C[C@H](O)CNC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253396012 1040151589 /nfs/dbraw/zinc/15/15/89/1040151589.db2.gz RIKTYAADMPZZOY-QGZVFWFLSA-N 1 3 371.566 2.847 20 0 FFADHO CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253396012 1040151595 /nfs/dbraw/zinc/15/15/95/1040151595.db2.gz RIKTYAADMPZZOY-QGZVFWFLSA-N 1 3 371.566 2.847 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001253405896 1040157407 /nfs/dbraw/zinc/15/74/07/1040157407.db2.gz UUDOXEQUQNBTKA-JXFKEZNVSA-N 1 3 371.566 2.752 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1(Cc2ccc(F)cc2)CCOCC1 ZINC001253410667 1040158788 /nfs/dbraw/zinc/15/87/88/1040158788.db2.gz PGMHNFWLJANNAP-SFHVURJKSA-N 1 3 352.494 2.504 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1(Cc2ccc(F)cc2)CCOCC1 ZINC001253410667 1040158793 /nfs/dbraw/zinc/15/87/93/1040158793.db2.gz PGMHNFWLJANNAP-SFHVURJKSA-N 1 3 352.494 2.504 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@@H]1CCc2ccc(Br)cc2C1 ZINC001253410265 1040159355 /nfs/dbraw/zinc/15/93/55/1040159355.db2.gz DVQPETLTPPWZOC-CVEARBPZSA-N 1 3 355.320 2.645 20 0 FFADHO [NH3+][C@@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)Cc1ccc(Cl)cc1 ZINC001248180074 1040161106 /nfs/dbraw/zinc/16/11/06/1040161106.db2.gz ONHRNSZZNCTLCS-OAHLLOKOSA-N 1 3 369.856 2.543 20 0 FFADHO CN1CC2(C1)CC[NH+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)CC2 ZINC001253427636 1040175481 /nfs/dbraw/zinc/17/54/81/1040175481.db2.gz SNKLCBNYKNAEJA-IBGZPJMESA-N 1 3 374.525 2.529 20 0 FFADHO CCOC(=O)[C@H]1CCCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040487 1040542001 /nfs/dbraw/zinc/54/20/01/1040542001.db2.gz VLMXFKDYENDEGV-FQEVSTJZSA-N 1 3 374.525 2.679 20 0 FFADHO CCOC(=O)[C@H]1CCCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040487 1040542014 /nfs/dbraw/zinc/54/20/14/1040542014.db2.gz VLMXFKDYENDEGV-FQEVSTJZSA-N 1 3 374.525 2.679 20 0 FFADHO O=C(CCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC001254054014 1040554467 /nfs/dbraw/zinc/55/44/67/1040554467.db2.gz JBLITUILEYZISR-UHFFFAOYSA-N 1 3 367.493 2.661 20 0 FFADHO Cc1cccc([C@@H](CO)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254055604 1040557145 /nfs/dbraw/zinc/55/71/45/1040557145.db2.gz VXYYJZQYGJFCES-OAQYLSRUSA-N 1 3 354.494 2.645 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@@H]2C1 ZINC001254344502 1040679765 /nfs/dbraw/zinc/67/97/65/1040679765.db2.gz XEWSFDYIPSAQIY-PWRODBHTSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)[C@@H]2C1 ZINC001254344502 1040679771 /nfs/dbraw/zinc/67/97/71/1040679771.db2.gz XEWSFDYIPSAQIY-PWRODBHTSA-N 1 3 370.541 2.777 20 0 FFADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254380370 1040690860 /nfs/dbraw/zinc/69/08/60/1040690860.db2.gz NEYPGXXGFFMCNJ-UXHICEINSA-N 1 3 359.514 2.564 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213933661 1041084877 /nfs/dbraw/zinc/08/48/77/1041084877.db2.gz CTLSMDGGNIMVOA-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001261295098 1041146197 /nfs/dbraw/zinc/14/61/97/1041146197.db2.gz OAVHMXLIZPYSFB-IAGOWNOFSA-N 1 3 352.548 2.694 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCN(c4ncccn4)C2)C3)cc1 ZINC001255123310 1041159370 /nfs/dbraw/zinc/15/93/70/1041159370.db2.gz RRGYNTQFQPSHLF-BURNTYAHSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCN(c4ncccn4)C2)C3)cc1 ZINC001255123310 1041159374 /nfs/dbraw/zinc/15/93/74/1041159374.db2.gz RRGYNTQFQPSHLF-BURNTYAHSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCCN(C4COC4)C2)C3)cc1 ZINC001255126146 1041160757 /nfs/dbraw/zinc/16/07/57/1041160757.db2.gz KPQAZKKBUZXQLN-MXEMCNAFSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCCN(C4COC4)C2)C3)cc1 ZINC001255126146 1041160765 /nfs/dbraw/zinc/16/07/65/1041160765.db2.gz KPQAZKKBUZXQLN-MXEMCNAFSA-N 1 3 355.526 2.635 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CCN1Cc1ccccc1 ZINC001261376695 1041198829 /nfs/dbraw/zinc/19/88/29/1041198829.db2.gz WMHFIFYMPXXVDF-QUCCMNQESA-N 1 3 370.541 2.825 20 0 FFADHO O=C(C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)NCc1ccccc1 ZINC001255384286 1041312116 /nfs/dbraw/zinc/31/21/16/1041312116.db2.gz XJBJIJYNJZWJIE-OAQYLSRUSA-N 1 3 351.494 2.947 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001214998523 1041639835 /nfs/dbraw/zinc/63/98/35/1041639835.db2.gz XWXLUZNWHKXANW-RDTXWAMCSA-N 1 3 367.484 2.674 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001215540649 1041820713 /nfs/dbraw/zinc/82/07/13/1041820713.db2.gz PAOBCOGPQPVFDC-MBOZVWFJSA-N 1 3 361.505 2.537 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778338 1041879507 /nfs/dbraw/zinc/87/95/07/1041879507.db2.gz HEFAOOVNENWSHM-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC(C)C)C1 ZINC001215973101 1041920161 /nfs/dbraw/zinc/92/01/61/1041920161.db2.gz QHSFXOPWOLUISA-RTBURBONSA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](OCC)C2CC2)C1 ZINC001215973134 1041920783 /nfs/dbraw/zinc/92/07/83/1041920783.db2.gz SINUVGWLZXBHHZ-RLLQIKCJSA-N 1 3 367.578 2.750 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ns2)C1)C(C)C ZINC001215982093 1041923283 /nfs/dbraw/zinc/92/32/83/1041923283.db2.gz QAAKWIDSIORHCC-OLMNPRSZSA-N 1 3 366.575 2.754 20 0 FFADHO C[C@@H](C(=O)NC1CC2(CC([NH3+])C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC001263299378 1042227709 /nfs/dbraw/zinc/22/77/09/1042227709.db2.gz CRFYCJBMLDCNKV-JWIWNDOOSA-N 1 3 355.526 2.716 20 0 FFADHO CC[C@H](C)N1CCN(c2nnc([C@@H]3CCC[N@H+](C)C3)n2CC(C)C)CC1 ZINC001263404182 1042285665 /nfs/dbraw/zinc/28/56/65/1042285665.db2.gz ANSXPROSVYKMMP-ZWKOTPCHSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@H](C)N1CCN(c2nnc([C@@H]3CCC[N@@H+](C)C3)n2CC(C)C)CC1 ZINC001263404182 1042285671 /nfs/dbraw/zinc/28/56/71/1042285671.db2.gz ANSXPROSVYKMMP-ZWKOTPCHSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCCOC(C)C ZINC001264059793 1042605359 /nfs/dbraw/zinc/60/53/59/1042605359.db2.gz YJNDZDDTPCXHPF-ZWKOTPCHSA-N 1 3 353.551 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCCOC(C)C ZINC001264059793 1042605361 /nfs/dbraw/zinc/60/53/61/1042605361.db2.gz YJNDZDDTPCXHPF-ZWKOTPCHSA-N 1 3 353.551 2.645 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCOc2ccccc2)[C@@H]1C)N(C)C ZINC001264169437 1042649832 /nfs/dbraw/zinc/64/98/32/1042649832.db2.gz IBWULJWMOUCFPQ-YZGWKJHDSA-N 1 3 361.530 2.621 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCOc2ccccc2)[C@@H]1C)N(C)C ZINC001264169437 1042649833 /nfs/dbraw/zinc/64/98/33/1042649833.db2.gz IBWULJWMOUCFPQ-YZGWKJHDSA-N 1 3 361.530 2.621 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001264208254 1042657247 /nfs/dbraw/zinc/65/72/47/1042657247.db2.gz SIKZBZXAMJLHOC-ZCNNSNEGSA-N 1 3 361.530 2.720 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC001264467543 1042683343 /nfs/dbraw/zinc/68/33/43/1042683343.db2.gz LIFRKFIMIJDQFO-QKYXUNIQSA-N 1 3 356.514 2.883 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264596053 1042732117 /nfs/dbraw/zinc/73/21/17/1042732117.db2.gz GNKOZMGXTQQALM-RTBURBONSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1)N(C)C ZINC001265545043 1042865230 /nfs/dbraw/zinc/86/52/30/1042865230.db2.gz SBHQILPOYNNHPI-RZFLPCETSA-N 1 3 365.468 2.612 20 0 FFADHO c1nc2c(cccc2C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)[nH]1 ZINC001279109958 1042904074 /nfs/dbraw/zinc/90/40/74/1042904074.db2.gz LHKVXSMEWXKBQR-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO COc1cc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)ccc1C(F)(F)F ZINC001279146779 1042919971 /nfs/dbraw/zinc/91/99/71/1042919971.db2.gz YYIIBKCNORZSCF-DOTOQJQBSA-N 1 3 371.447 2.782 20 0 FFADHO COc1cc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)ccc1C(F)(F)F ZINC001279146779 1042919973 /nfs/dbraw/zinc/91/99/73/1042919973.db2.gz YYIIBKCNORZSCF-DOTOQJQBSA-N 1 3 371.447 2.782 20 0 FFADHO c1n[nH]cc1C[N@H+]1CCC2(C1)CCN(Cc1c[nH]c3cnccc13)CC2 ZINC001279279003 1042981105 /nfs/dbraw/zinc/98/11/05/1042981105.db2.gz GCTJSYWJPCTOIT-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO c1n[nH]cc1C[N@@H+]1CCC2(C1)CCN(Cc1c[nH]c3cnccc13)CC2 ZINC001279279003 1042981106 /nfs/dbraw/zinc/98/11/06/1042981106.db2.gz GCTJSYWJPCTOIT-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(OC(F)(F)F)c1 ZINC001279331369 1043004890 /nfs/dbraw/zinc/00/48/90/1043004890.db2.gz FXLNULHWCKTYJV-IRXDYDNUSA-N 1 3 357.420 2.795 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(OC(F)(F)F)c1 ZINC001279331369 1043004894 /nfs/dbraw/zinc/00/48/94/1043004894.db2.gz FXLNULHWCKTYJV-IRXDYDNUSA-N 1 3 357.420 2.795 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1(C)CC[NH+](C)CC1 ZINC001279477698 1043162962 /nfs/dbraw/zinc/16/29/62/1043162962.db2.gz ZZMZDHYMFOOPDZ-HSALFYBXSA-N 1 3 357.542 2.916 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2cncc(C)c2)CC3)n(C)n1 ZINC001279574200 1043280242 /nfs/dbraw/zinc/28/02/42/1043280242.db2.gz NKCWTEJEOIWFLY-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3c[nH]nc3C(C)(C)C)CC2)C1 ZINC001279599597 1043319163 /nfs/dbraw/zinc/31/91/63/1043319163.db2.gz PQQJDLSEESEYLM-UHFFFAOYSA-N 1 3 361.578 2.947 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3c[nH]nc3C(C)(C)C)CC2)C1 ZINC001279599597 1043319171 /nfs/dbraw/zinc/31/91/71/1043319171.db2.gz PQQJDLSEESEYLM-UHFFFAOYSA-N 1 3 361.578 2.947 20 0 FFADHO COc1ccccc1CC[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001279617918 1043348494 /nfs/dbraw/zinc/34/84/94/1043348494.db2.gz MKVRGZGWMRXWJP-UHFFFAOYSA-N 1 3 354.498 2.949 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cncc(Cl)c3Cl)CC2)CC1 ZINC001238011613 1043484798 /nfs/dbraw/zinc/48/47/98/1043484798.db2.gz QCOPUYORZORWKG-UHFFFAOYSA-N 1 3 357.329 2.848 20 0 FFADHO COc1cc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)ccc1C(F)F ZINC001279707111 1043503638 /nfs/dbraw/zinc/50/36/38/1043503638.db2.gz WVZQLOJMEGHBEC-DOTOQJQBSA-N 1 3 353.457 2.701 20 0 FFADHO COc1cc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)ccc1C(F)F ZINC001279707111 1043503650 /nfs/dbraw/zinc/50/36/50/1043503650.db2.gz WVZQLOJMEGHBEC-DOTOQJQBSA-N 1 3 353.457 2.701 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@@H]2CC23CCN(Cc2ccc(F)cc2)CC3)CC1 ZINC001279742390 1043569743 /nfs/dbraw/zinc/56/97/43/1043569743.db2.gz WGGZDQJDINRIGB-IBGZPJMESA-N 1 3 359.489 2.638 20 0 FFADHO COc1c(C)cnc(CN2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C ZINC001238171207 1043588723 /nfs/dbraw/zinc/58/87/23/1043588723.db2.gz BWVWGYYEFHMSLD-UHFFFAOYSA-N 1 3 369.513 2.558 20 0 FFADHO O=C(NCC(F)F)[C@@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001279842475 1043757876 /nfs/dbraw/zinc/75/78/76/1043757876.db2.gz CUHBIQUECXFTRK-QFBILLFUSA-N 1 3 357.489 2.736 20 0 FFADHO CCCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC001311397632 1043908909 /nfs/dbraw/zinc/90/89/09/1043908909.db2.gz VLBSSWOFYFOAJA-LEWJYISDSA-N 1 3 372.557 2.949 20 0 FFADHO CCCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)[C@@H]1CC[N@@H+](C)C1 ZINC001311397632 1043908916 /nfs/dbraw/zinc/90/89/16/1043908916.db2.gz VLBSSWOFYFOAJA-LEWJYISDSA-N 1 3 372.557 2.949 20 0 FFADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001312253471 1044079439 /nfs/dbraw/zinc/07/94/39/1044079439.db2.gz GNUBZKLNJUZPBS-IOMROCGXSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001312253471 1044079448 /nfs/dbraw/zinc/07/94/48/1044079448.db2.gz GNUBZKLNJUZPBS-IOMROCGXSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC001312251852 1044079752 /nfs/dbraw/zinc/07/97/52/1044079752.db2.gz IEGVBBWXBWSGHE-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001280050865 1044140199 /nfs/dbraw/zinc/14/01/99/1044140199.db2.gz INZLEMSPKZRTRO-RVKKMQEKSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001280050865 1044140207 /nfs/dbraw/zinc/14/02/07/1044140207.db2.gz INZLEMSPKZRTRO-RVKKMQEKSA-N 1 3 365.468 2.633 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312816242 1044175182 /nfs/dbraw/zinc/17/51/82/1044175182.db2.gz SIBLUDHRSJPNTB-ICSRJNTNSA-N 1 3 360.546 2.989 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312816242 1044175206 /nfs/dbraw/zinc/17/52/06/1044175206.db2.gz SIBLUDHRSJPNTB-ICSRJNTNSA-N 1 3 360.546 2.989 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2CCc1cccc(C)c1 ZINC001280150087 1044307156 /nfs/dbraw/zinc/30/71/56/1044307156.db2.gz YBBWIJPVERJZIQ-RBBKRZOGSA-N 1 3 357.542 2.802 20 0 FFADHO CCOc1cc(F)c(F)cc1CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001280152984 1044308150 /nfs/dbraw/zinc/30/81/50/1044308150.db2.gz XQOOMJPOQQGZLY-UHFFFAOYSA-N 1 3 367.484 2.823 20 0 FFADHO CN1CCN(Cc2cccc(-c3ccc(O[C@H]4CC[NH2+]C4)cc3)c2)CC1 ZINC001240303988 1044308764 /nfs/dbraw/zinc/30/87/64/1044308764.db2.gz RRFOHLVFVSMWRC-QFIPXVFZSA-N 1 3 351.494 2.842 20 0 FFADHO CN1CCN(Cc2ccc(-c3cccc(N4CC[NH2+]CC4)c3)cc2)CC1 ZINC001240401743 1044330964 /nfs/dbraw/zinc/33/09/64/1044330964.db2.gz BSIMTHJTGJHBFF-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313858445 1044432424 /nfs/dbraw/zinc/43/24/24/1044432424.db2.gz APLOEBVNLJGTKJ-AOIWGVFYSA-N 1 3 362.566 2.626 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313858445 1044432433 /nfs/dbraw/zinc/43/24/33/1044432433.db2.gz APLOEBVNLJGTKJ-AOIWGVFYSA-N 1 3 362.566 2.626 20 0 FFADHO CCC[C@H](C)CN1CCC([NH+]2CCC(C(=O)Nc3cn[nH]c3)CC2)CC1 ZINC001280258199 1044483207 /nfs/dbraw/zinc/48/32/07/1044483207.db2.gz LCWQZPYHFVXMHR-INIZCTEOSA-N 1 3 361.534 2.961 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCC=C(Cl)Cl)C2CC2)CC[N@@H+]1C ZINC001318697817 1044816252 /nfs/dbraw/zinc/81/62/52/1044816252.db2.gz CDTNQKMPZFBRGE-JJRVBVJISA-N 1 3 362.345 2.910 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCC=C(Cl)Cl)C2CC2)CC[N@H+]1C ZINC001318697817 1044816269 /nfs/dbraw/zinc/81/62/69/1044816269.db2.gz CDTNQKMPZFBRGE-JJRVBVJISA-N 1 3 362.345 2.910 20 0 FFADHO CN1CCN(c2cccc(-c3ccc4c([C@H]5CCC[NH2+]5)nnn4c3)c2)CC1 ZINC001243668974 1044989354 /nfs/dbraw/zinc/98/93/54/1044989354.db2.gz KOCNDDSSHFSTPC-LJQANCHMSA-N 1 3 362.481 2.573 20 0 FFADHO C[C@@H](CNCc1c(F)cccc1Cl)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319188325 1045060577 /nfs/dbraw/zinc/06/05/77/1045060577.db2.gz DKTYFEVIFFBKLX-BFHYXJOUSA-N 1 3 355.885 2.661 20 0 FFADHO C[C@@H](CNCc1c(F)cccc1Cl)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319188325 1045060587 /nfs/dbraw/zinc/06/05/87/1045060587.db2.gz DKTYFEVIFFBKLX-BFHYXJOUSA-N 1 3 355.885 2.661 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001278377455 1045090450 /nfs/dbraw/zinc/09/04/50/1045090450.db2.gz WVPDBYLYRDKVTL-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001278377455 1045090465 /nfs/dbraw/zinc/09/04/65/1045090465.db2.gz WVPDBYLYRDKVTL-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)N1CCc2ccccc2C1 ZINC001318501873 1045315767 /nfs/dbraw/zinc/31/57/67/1045315767.db2.gz CHJVUHOIRMNLIS-HKBOAZHASA-N 1 3 372.557 2.995 20 0 FFADHO COc1ccc(C(C)C)cc1CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321848331 1045834494 /nfs/dbraw/zinc/83/44/94/1045834494.db2.gz GDXXGVFTCVMPNG-FRQCXROJSA-N 1 3 361.530 2.753 20 0 FFADHO COc1ccc(C(C)C)cc1CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001321848331 1045834501 /nfs/dbraw/zinc/83/45/01/1045834501.db2.gz GDXXGVFTCVMPNG-FRQCXROJSA-N 1 3 361.530 2.753 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCc2cc(C)ns2)C2CC2)CC[N@@H+]1C ZINC001283502542 1046392030 /nfs/dbraw/zinc/39/20/30/1046392030.db2.gz LOUZBTOJHDMHPG-KSZLIROESA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCc2cc(C)ns2)C2CC2)CC[N@H+]1C ZINC001283502542 1046392040 /nfs/dbraw/zinc/39/20/40/1046392040.db2.gz LOUZBTOJHDMHPG-KSZLIROESA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@]1(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)CC[NH2+]C1 ZINC001326818216 1047100814 /nfs/dbraw/zinc/10/08/14/1047100814.db2.gz ZQEHUMOCUKYYBG-NRFANRHFSA-N 1 3 358.530 2.854 20 0 FFADHO Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001290875647 1048469749 /nfs/dbraw/zinc/46/97/49/1048469749.db2.gz CGYUBPHGYOCINI-UHFFFAOYSA-N 1 3 362.566 2.629 20 0 FFADHO CN(CCCCCC[NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001333584131 1048989874 /nfs/dbraw/zinc/98/98/74/1048989874.db2.gz JXLWPTOOSDVYGG-UHFFFAOYSA-N 1 3 356.580 2.509 20 0 FFADHO C[C@@H](CCCNCc1cc(F)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330820991 1049346972 /nfs/dbraw/zinc/34/69/72/1049346972.db2.gz NUNSQCIWFZZQFG-JJRVBVJISA-N 1 3 353.457 2.680 20 0 FFADHO C[C@@H](CCCNCc1cc(F)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330820991 1049346985 /nfs/dbraw/zinc/34/69/85/1049346985.db2.gz NUNSQCIWFZZQFG-JJRVBVJISA-N 1 3 353.457 2.680 20 0 FFADHO COc1ccc(F)cc1CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330823310 1049347937 /nfs/dbraw/zinc/34/79/37/1049347937.db2.gz VWLAZFXILSSXCV-IIDMSEBBSA-N 1 3 365.493 2.549 20 0 FFADHO COc1ccc(F)cc1CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330823310 1049347946 /nfs/dbraw/zinc/34/79/46/1049347946.db2.gz VWLAZFXILSSXCV-IIDMSEBBSA-N 1 3 365.493 2.549 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc(Cl)n1 ZINC001330918669 1049390914 /nfs/dbraw/zinc/39/09/14/1049390914.db2.gz UZRLWRCDWVUEIR-PBHICJAKSA-N 1 3 373.888 2.566 20 0 FFADHO C[NH+](C)C1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCCC1 ZINC001293373204 1049542185 /nfs/dbraw/zinc/54/21/85/1049542185.db2.gz XAMBVICBKIGUSX-UHFFFAOYSA-N 1 3 353.576 2.729 20 0 FFADHO CCCC[N@H+](C)CCn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294223791 1049714248 /nfs/dbraw/zinc/71/42/48/1049714248.db2.gz LCIZRTBWVOEHNY-UHFFFAOYSA-N 1 3 362.566 2.808 20 0 FFADHO CCCC[N@@H+](C)CCn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294223791 1049714251 /nfs/dbraw/zinc/71/42/51/1049714251.db2.gz LCIZRTBWVOEHNY-UHFFFAOYSA-N 1 3 362.566 2.808 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001295981172 1050008002 /nfs/dbraw/zinc/00/80/02/1050008002.db2.gz UCUXGYPQQOMFKU-DLBZAZTESA-N 1 3 364.582 2.908 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001295981173 1050008084 /nfs/dbraw/zinc/00/80/84/1050008084.db2.gz UCUXGYPQQOMFKU-IAGOWNOFSA-N 1 3 364.582 2.908 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001295991141 1050009535 /nfs/dbraw/zinc/00/95/35/1050009535.db2.gz ACEDQOKUHOUGKI-IAGOWNOFSA-N 1 3 374.577 2.949 20 0 FFADHO C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2nc(C(C)(C)C)cs2)C1 ZINC001316659971 1050043154 /nfs/dbraw/zinc/04/31/54/1050043154.db2.gz XIDNOVIIZPMPEV-LSDHHAIUSA-N 1 3 366.575 2.767 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](C[C@@H]3COCCN3)c3ccccc32)CC1 ZINC001342000833 1050598330 /nfs/dbraw/zinc/59/83/30/1050598330.db2.gz NEBHHFCAPRNNIN-RBUKOAKNSA-N 1 3 371.525 2.616 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(F)cc1 ZINC001342331144 1050924529 /nfs/dbraw/zinc/92/45/29/1050924529.db2.gz NLLUTTHKARFHNE-FGTMMUONSA-N 1 3 350.482 2.600 20 0 FFADHO C[NH2+]C1(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CCC1 ZINC001340843632 1051182811 /nfs/dbraw/zinc/18/28/11/1051182811.db2.gz IYLZCLVIYXFTDU-UHFFFAOYSA-N 1 3 372.513 2.972 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc1)[C@H]1CCCN(C)C1 ZINC001340873272 1051205823 /nfs/dbraw/zinc/20/58/23/1051205823.db2.gz QPHPCERAILTEQA-ROUUACIJSA-N 1 3 374.529 2.555 20 0 FFADHO CCCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC001342914650 1051525232 /nfs/dbraw/zinc/52/52/32/1051525232.db2.gz LFUADFXDQDJRDB-UNMCSNQZSA-N 1 3 355.526 2.889 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1 ZINC001306876930 1052208921 /nfs/dbraw/zinc/20/89/21/1052208921.db2.gz HPEFOUHOWZLRMW-GXTWGEPZSA-N 1 3 363.893 2.770 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)cc(Cl)n1 ZINC001343540434 1052293522 /nfs/dbraw/zinc/29/35/22/1052293522.db2.gz VQPSFSHAPGWKSU-HZPDHXFCSA-N 1 3 364.921 2.801 20 0 FFADHO c1cc(C[NH+]2CCC(Cc3nnn[n-]3)CC2)ccc1C[NH+]1CCCCC1 ZINC001308048563 1052393656 /nfs/dbraw/zinc/39/36/56/1052393656.db2.gz SXZBZPIFUYNEOO-UHFFFAOYSA-N 1 3 354.502 2.640 20 0 FFADHO C[NH+](C)Cc1ccc(CN2CCC[C@](O)(C3CC3)C2)c2c1OC(F)(F)O2 ZINC001308861304 1052508757 /nfs/dbraw/zinc/50/87/57/1052508757.db2.gz YVVIIQVTRULGLR-GOSISDBHSA-N 1 3 368.424 2.807 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001345561237 1052510958 /nfs/dbraw/zinc/51/09/58/1052510958.db2.gz UFKLGYOHKPRXGG-IPJJNNNSSA-N 1 3 363.461 2.593 20 0 FFADHO C[C@@H](OC[C@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccc(Cl)cc1 ZINC001336052204 1053733317 /nfs/dbraw/zinc/73/33/17/1053733317.db2.gz XPCLJTDKPYXPFQ-DQEVTTJGSA-N 1 3 352.906 2.995 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)C12CCOCC2 ZINC001336255187 1053872029 /nfs/dbraw/zinc/87/20/29/1053872029.db2.gz ZEHHRFHJJUJRMY-IAGOWNOFSA-N 1 3 367.534 2.524 20 0 FFADHO COc1cc(NC(=O)CCNCC[N@H+](C)C(C)C)c(OC)cc1Cl ZINC001338466809 1055540963 /nfs/dbraw/zinc/54/09/63/1055540963.db2.gz KXQOVQABOJWTLN-UHFFFAOYSA-N 1 3 357.882 2.616 20 0 FFADHO COc1cc(NC(=O)CCNCC[N@@H+](C)C(C)C)c(OC)cc1Cl ZINC001338466809 1055540974 /nfs/dbraw/zinc/54/09/74/1055540974.db2.gz KXQOVQABOJWTLN-UHFFFAOYSA-N 1 3 357.882 2.616 20 0 FFADHO CC(C)n1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849089932 1055634974 /nfs/dbraw/zinc/63/49/74/1055634974.db2.gz LGHXKRWCOCCEPT-UHFFFAOYSA-N 1 3 354.502 2.743 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001339172059 1056164587 /nfs/dbraw/zinc/16/45/87/1056164587.db2.gz HSMXCSCEHUUMEF-NHCUHLMSSA-N 1 3 372.557 2.578 20 0 FFADHO S=C(NCC[NH+]1CCCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001200438074 1058176327 /nfs/dbraw/zinc/17/63/27/1058176327.db2.gz OMOAIVYFNZKJQO-LJQANCHMSA-N 1 3 360.571 2.601 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001498835822 1058183158 /nfs/dbraw/zinc/18/31/58/1058183158.db2.gz RISLJFLQZFJGPX-OKZBNKHCSA-N 1 3 362.566 2.634 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001499166834 1058253500 /nfs/dbraw/zinc/25/35/00/1058253500.db2.gz KDGKWPIORSECDJ-SFHVURJKSA-N 1 3 374.577 2.780 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNC/C(Cl)=C\Cl)C2)CC[N@@H+]1C ZINC001500348279 1058472393 /nfs/dbraw/zinc/47/23/93/1058472393.db2.gz XCSLNPLERIPTMC-IYCFBSGCSA-N 1 3 362.345 2.864 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNC/C(Cl)=C\Cl)C2)CC[N@H+]1C ZINC001500348279 1058472402 /nfs/dbraw/zinc/47/24/02/1058472402.db2.gz XCSLNPLERIPTMC-IYCFBSGCSA-N 1 3 362.345 2.864 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001513838620 1058607226 /nfs/dbraw/zinc/60/72/26/1058607226.db2.gz WOQPAKRXJYCZKK-IRXDYDNUSA-N 1 3 362.566 2.634 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001513838620 1058607248 /nfs/dbraw/zinc/60/72/48/1058607248.db2.gz WOQPAKRXJYCZKK-IRXDYDNUSA-N 1 3 362.566 2.634 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(Cl)s3)CCC2)CC[N@@H+]1C ZINC001501951828 1058745407 /nfs/dbraw/zinc/74/54/07/1058745407.db2.gz CVBJOLAVFCUVDI-TZMCWYRMSA-N 1 3 355.935 2.870 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(Cl)s3)CCC2)CC[N@H+]1C ZINC001501951828 1058745427 /nfs/dbraw/zinc/74/54/27/1058745427.db2.gz CVBJOLAVFCUVDI-TZMCWYRMSA-N 1 3 355.935 2.870 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(Cc3ccco3)C3CCN(C)CC3)C[N@@H+]2C1 ZINC001519436112 1058748774 /nfs/dbraw/zinc/74/87/74/1058748774.db2.gz KAVDUCWZFLKKNF-LMMKCTJWSA-N 1 3 359.514 2.823 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(Cc3ccco3)C3CCN(C)CC3)C[N@H+]2C1 ZINC001519436112 1058748794 /nfs/dbraw/zinc/74/87/94/1058748794.db2.gz KAVDUCWZFLKKNF-LMMKCTJWSA-N 1 3 359.514 2.823 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001502245299 1058786073 /nfs/dbraw/zinc/78/60/73/1058786073.db2.gz RPPGMLMASNXRLS-MSOLQXFVSA-N 1 3 362.566 2.806 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001547634447 1071980068 /nfs/dbraw/zinc/98/00/68/1071980068.db2.gz FZFPMGXBRYNJSW-QZTJIDSGSA-N 1 3 362.566 2.806 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001547681604 1071987604 /nfs/dbraw/zinc/98/76/04/1071987604.db2.gz JEQNFHTYSWMZFE-IBGZPJMESA-N 1 3 360.550 2.526 20 0 FFADHO CC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001547681604 1071987612 /nfs/dbraw/zinc/98/76/12/1071987612.db2.gz JEQNFHTYSWMZFE-IBGZPJMESA-N 1 3 360.550 2.526 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001521562328 1060969674 /nfs/dbraw/zinc/96/96/74/1060969674.db2.gz XOAWQYIHMPJGIX-AABGKKOBSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C2)cc1 ZINC001477317159 1061669133 /nfs/dbraw/zinc/66/91/33/1061669133.db2.gz PXLLQIYRYRFPCR-HXUWFJFHSA-N 1 3 360.546 2.987 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)Cc1ccccc1 ZINC001477466899 1061709681 /nfs/dbraw/zinc/70/96/81/1061709681.db2.gz OFGYOHKINDNMEX-HXUWFJFHSA-N 1 3 372.557 2.677 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2)cc1 ZINC001479156850 1062259096 /nfs/dbraw/zinc/25/90/96/1062259096.db2.gz RZCCKJUTBOODAC-HXUWFJFHSA-N 1 3 370.541 2.839 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001479454318 1062422968 /nfs/dbraw/zinc/42/29/68/1062422968.db2.gz NLXFDBXJLNMALX-ZWKOTPCHSA-N 1 3 359.514 2.554 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC001471495291 1064695259 /nfs/dbraw/zinc/69/52/59/1064695259.db2.gz SIRTZXGWILDTSU-FQEVSTJZSA-N 1 3 360.546 2.800 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC001471495291 1064695267 /nfs/dbraw/zinc/69/52/67/1064695267.db2.gz SIRTZXGWILDTSU-FQEVSTJZSA-N 1 3 360.546 2.800 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)N(C)C)cc1 ZINC001472470914 1065075401 /nfs/dbraw/zinc/07/54/01/1065075401.db2.gz QVKQNMVRSFJLSF-FPOVZHCZSA-N 1 3 366.509 2.889 20 0 FFADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)CC1 ZINC001576119918 1078198035 /nfs/dbraw/zinc/19/80/35/1078198035.db2.gz MWALCTSKPDVIKP-GFCCVEGCSA-N 1 3 355.429 2.629 20 0 FFADHO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001474440297 1065522205 /nfs/dbraw/zinc/52/22/05/1065522205.db2.gz HZLMITVGIOKDDZ-LYGPFTKASA-N 1 3 355.523 2.523 20 0 FFADHO CCCCCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577438896 1078360126 /nfs/dbraw/zinc/36/01/26/1078360126.db2.gz VBDMDXIVTOXWHG-KRWDZBQOSA-N 1 3 362.566 2.856 20 0 FFADHO CCN(CC)[C@H](Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCCC1)c1ccco1 ZINC001577684981 1078387796 /nfs/dbraw/zinc/38/77/96/1078387796.db2.gz QUUUWWDNXIOAMR-IXDOHACOSA-N 1 3 372.517 2.759 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC001577681437 1078387814 /nfs/dbraw/zinc/38/78/14/1078387814.db2.gz VFCZSBSKNNKFAJ-YOEHRIQHSA-N 1 3 352.548 2.818 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@H]([NH3+])C(C)C)C[C@H]1C ZINC001577760483 1078397348 /nfs/dbraw/zinc/39/73/48/1078397348.db2.gz VVAFLLXQARGOOZ-AOIWGVFYSA-N 1 3 370.545 2.847 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCCC[NH3+])C[C@H]1C ZINC001577760428 1078397389 /nfs/dbraw/zinc/39/73/89/1078397389.db2.gz UNOXGPBZSCCVNS-CVEARBPZSA-N 1 3 350.555 2.525 20 0 FFADHO C[N@H+](CCN(Cc1ccccc1)C[C@@H]1CNCCO1)Cc1ccccc1 ZINC001578469721 1078478215 /nfs/dbraw/zinc/47/82/15/1078478215.db2.gz ADAJYRQAQLGYDE-QFIPXVFZSA-N 1 3 353.510 2.609 20 0 FFADHO C[N@@H+](CCN(Cc1ccccc1)C[C@@H]1CNCCO1)Cc1ccccc1 ZINC001578469721 1078478220 /nfs/dbraw/zinc/47/82/20/1078478220.db2.gz ADAJYRQAQLGYDE-QFIPXVFZSA-N 1 3 353.510 2.609 20 0 FFADHO COc1ccc(CCNCc2cc(C(C)(C)[NH3+])no2)c(Cl)c1OC ZINC001579209127 1078589700 /nfs/dbraw/zinc/58/97/00/1078589700.db2.gz JKBHUNSZEMHNJG-UHFFFAOYSA-N 1 3 353.850 2.871 20 0 FFADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001548474630 1073415821 /nfs/dbraw/zinc/41/58/21/1073415821.db2.gz XOQXYFNBMYPMKJ-LEWJYISDSA-N 1 3 371.525 2.608 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550282252 1074197694 /nfs/dbraw/zinc/19/76/94/1074197694.db2.gz PEYHQZBONWMTCB-XSLAUPDRSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1c[nH]c(-c3ccccc3)n1)[C@@H](O)C2 ZINC001550421884 1074259689 /nfs/dbraw/zinc/25/96/89/1074259689.db2.gz HTJRHXIBDXOFAQ-JKBKZWBZSA-N 1 3 354.498 2.646 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1c[nH]c(-c3ccccc3)n1)[C@@H](O)C2 ZINC001550421884 1074259698 /nfs/dbraw/zinc/25/96/98/1074259698.db2.gz HTJRHXIBDXOFAQ-JKBKZWBZSA-N 1 3 354.498 2.646 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(OC)cc3F)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423791 1074262027 /nfs/dbraw/zinc/26/20/27/1074262027.db2.gz RVCDRTGRDMPHIR-FYQPLNBISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(OC)cc3F)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423791 1074262031 /nfs/dbraw/zinc/26/20/31/1074262031.db2.gz RVCDRTGRDMPHIR-FYQPLNBISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ncc(C)c(OC)c3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550669045 1074426589 /nfs/dbraw/zinc/42/65/89/1074426589.db2.gz WQBKHZAAFAMLQR-PLWAMTLXSA-N 1 3 361.530 2.666 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ncc(C)c(OC)c3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550669045 1074426595 /nfs/dbraw/zinc/42/65/95/1074426595.db2.gz WQBKHZAAFAMLQR-PLWAMTLXSA-N 1 3 361.530 2.666 20 0 FFADHO O=C1CC[C@@H](NCc2cccc(Cl)c2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913146 1074529871 /nfs/dbraw/zinc/52/98/71/1074529871.db2.gz KCSCLKLXHPVLEU-RHSMWYFYSA-N 1 3 356.297 2.730 20 0 FFADHO NC(=O)[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C(F)(F)F ZINC001552078908 1074925318 /nfs/dbraw/zinc/92/53/18/1074925318.db2.gz FDAOPGGPSJLULB-IRXDYDNUSA-N 1 3 369.431 2.768 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4[C@@H](C3)C3CCC4CC3)CC2)CC1 ZINC001552407083 1075073021 /nfs/dbraw/zinc/07/30/21/1075073021.db2.gz CIKBKPCOOIWCSF-QGWLNKKWSA-N 1 3 374.573 2.623 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc2c(s1)CCNC2 ZINC001552431022 1075074548 /nfs/dbraw/zinc/07/45/48/1075074548.db2.gz ZYHZNZGRJLFJFN-NVXWUHKLSA-N 1 3 373.497 2.656 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]3C3CCCCC3)CC2)CC1 ZINC001553392396 1075298616 /nfs/dbraw/zinc/29/86/16/1075298616.db2.gz FWYRCWOENSWGSN-HXUWFJFHSA-N 1 3 362.562 2.909 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([C@@H]3CCC[NH2+]3)C2)N2CCCC2)cc1 ZINC001553436453 1075307439 /nfs/dbraw/zinc/30/74/39/1075307439.db2.gz BSDRNKRIHFJKMC-ACRUOGEOSA-N 1 3 370.541 2.915 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC001553555064 1075330030 /nfs/dbraw/zinc/33/00/30/1075330030.db2.gz KQUSSYDDSFFZMZ-MRXNPFEDSA-N 1 3 364.559 2.731 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC001553560036 1075331395 /nfs/dbraw/zinc/33/13/95/1075331395.db2.gz WXURCEKKHAXDBV-INIZCTEOSA-N 1 3 364.559 2.731 20 0 FFADHO Cc1ccc(NC(=O)C2(N(C)C)CCCC2)cc1NC(=O)CC[NH+](C)C ZINC001556100047 1075700509 /nfs/dbraw/zinc/70/05/09/1075700509.db2.gz JRDFLKPOMVXEEJ-UHFFFAOYSA-N 1 3 360.502 2.698 20 0 FFADHO CC[C@@H](CO)N1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001559573872 1076173985 /nfs/dbraw/zinc/17/39/85/1076173985.db2.gz NTNVQRSPBMHMTJ-QHCPKHFHSA-N 1 3 373.585 2.720 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001560869660 1076305328 /nfs/dbraw/zinc/30/53/28/1076305328.db2.gz NCLMXLNEHNMNNI-KRWDZBQOSA-N 1 3 370.582 2.686 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001560869660 1076305331 /nfs/dbraw/zinc/30/53/31/1076305331.db2.gz NCLMXLNEHNMNNI-KRWDZBQOSA-N 1 3 370.582 2.686 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001563513131 1076561821 /nfs/dbraw/zinc/56/18/21/1076561821.db2.gz OWFXYNYXXQBLIE-QHAWAJNXSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001563513131 1076561824 /nfs/dbraw/zinc/56/18/24/1076561824.db2.gz OWFXYNYXXQBLIE-QHAWAJNXSA-N 1 3 370.541 2.967 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC001565061852 1076681805 /nfs/dbraw/zinc/68/18/05/1076681805.db2.gz AZXYTZMZDPIUBV-RTBURBONSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)C2)cc1 ZINC001565061852 1076681808 /nfs/dbraw/zinc/68/18/08/1076681808.db2.gz AZXYTZMZDPIUBV-RTBURBONSA-N 1 3 358.530 2.741 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(C)Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001566457103 1076961595 /nfs/dbraw/zinc/96/15/95/1076961595.db2.gz STLPIJRDGRTLMQ-UKRRQHHQSA-N 1 3 355.885 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(C)Cc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC001566457103 1076961599 /nfs/dbraw/zinc/96/15/99/1076961599.db2.gz STLPIJRDGRTLMQ-UKRRQHHQSA-N 1 3 355.885 2.757 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)CCc2c(F)cccc2F)CC[N@@H+]1C ZINC001570712844 1077223467 /nfs/dbraw/zinc/22/34/67/1077223467.db2.gz TWAXCIRKZCKMMR-URLQWDBASA-N 1 3 367.484 2.674 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)CCc2c(F)cccc2F)CC[N@H+]1C ZINC001570712844 1077223470 /nfs/dbraw/zinc/22/34/70/1077223470.db2.gz TWAXCIRKZCKMMR-URLQWDBASA-N 1 3 367.484 2.674 20 0 FFADHO CCN1CCN([C@H]2CC[N@H+](CC(C)(C)CN(C)Cc3ccccc3)C2)CC1 ZINC000093133109 250017855 /nfs/dbraw/zinc/01/78/55/250017855.db2.gz JNPARMZYPGOYKC-QFIPXVFZSA-N 1 3 372.601 2.856 20 0 FFADHO CCN1CCN([C@H]2CC[N@@H+](CC(C)(C)CN(C)Cc3ccccc3)C2)CC1 ZINC000093133109 250017859 /nfs/dbraw/zinc/01/78/59/250017859.db2.gz JNPARMZYPGOYKC-QFIPXVFZSA-N 1 3 372.601 2.856 20 0 FFADHO CCN1CCN([C@H]2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000093133109 250017862 /nfs/dbraw/zinc/01/78/62/250017862.db2.gz JNPARMZYPGOYKC-QFIPXVFZSA-N 1 3 372.601 2.856 20 0 FFADHO CCN1CCN([C@H]2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000093133109 250017866 /nfs/dbraw/zinc/01/78/66/250017866.db2.gz JNPARMZYPGOYKC-QFIPXVFZSA-N 1 3 372.601 2.856 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000173540603 251203226 /nfs/dbraw/zinc/20/32/26/251203226.db2.gz VJNWBXSSOVDPCT-YLJYHZDGSA-N 1 3 358.530 2.907 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000267399973 251345666 /nfs/dbraw/zinc/34/56/66/251345666.db2.gz YGQNSYIIYIZEKL-CEWLAPEOSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000267399973 251345668 /nfs/dbraw/zinc/34/56/68/251345668.db2.gz YGQNSYIIYIZEKL-CEWLAPEOSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]([NH2+]CCNC(=O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272697519 252106243 /nfs/dbraw/zinc/10/62/43/252106243.db2.gz XLAIADKFDXKWFQ-RXVVDRJESA-N 1 3 351.494 2.917 20 0 FFADHO C[C@H](NCCNC(=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272697519 252106247 /nfs/dbraw/zinc/10/62/47/252106247.db2.gz XLAIADKFDXKWFQ-RXVVDRJESA-N 1 3 351.494 2.917 20 0 FFADHO C[C@H](NCCNC(=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272697519 252106249 /nfs/dbraw/zinc/10/62/49/252106249.db2.gz XLAIADKFDXKWFQ-RXVVDRJESA-N 1 3 351.494 2.917 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272859934 252150280 /nfs/dbraw/zinc/15/02/80/252150280.db2.gz IDRZSXAAYUTZML-QGZVFWFLSA-N 1 3 358.530 2.930 20 0 FFADHO COc1ccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000273162569 252235925 /nfs/dbraw/zinc/23/59/25/252235925.db2.gz BVDHWKGHEBYYNN-HXUWFJFHSA-N 1 3 359.514 2.680 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000273223094 252256860 /nfs/dbraw/zinc/25/68/60/252256860.db2.gz NFVXOKKTKNCQFQ-FQEVSTJZSA-N 1 3 361.530 2.926 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@H](C)[NH3+] ZINC000276958227 256146321 /nfs/dbraw/zinc/14/63/21/256146321.db2.gz GBLUIALXJZSIAZ-MSOLQXFVSA-N 1 3 366.509 2.931 20 0 FFADHO c1ccc(CN2CC[C@@H](N3CCN(CCC[NH+]4CCCCC4)CC3)C2)cc1 ZINC000286074309 257018971 /nfs/dbraw/zinc/01/89/71/257018971.db2.gz RZIYDTDKQNPJHN-HSZRJFAPSA-N 1 3 370.585 2.755 20 0 FFADHO Cn1cc([C@H](O)CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000286176562 257024168 /nfs/dbraw/zinc/02/41/68/257024168.db2.gz QRLCULSUNMSZNY-VXSCBNMQSA-N 1 3 368.525 2.734 20 0 FFADHO Cn1cc([C@H](O)CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000286176562 257024169 /nfs/dbraw/zinc/02/41/69/257024169.db2.gz QRLCULSUNMSZNY-VXSCBNMQSA-N 1 3 368.525 2.734 20 0 FFADHO Cn1cc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000286176562 257024170 /nfs/dbraw/zinc/02/41/70/257024170.db2.gz QRLCULSUNMSZNY-VXSCBNMQSA-N 1 3 368.525 2.734 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000286582673 257044182 /nfs/dbraw/zinc/04/41/82/257044182.db2.gz WREIHMPYVVKVJQ-RBBKRZOGSA-N 1 3 356.558 2.615 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(CCCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000286582673 257044183 /nfs/dbraw/zinc/04/41/83/257044183.db2.gz WREIHMPYVVKVJQ-RBBKRZOGSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000287358362 257085377 /nfs/dbraw/zinc/08/53/77/257085377.db2.gz BBFSZXGJJQWUSL-KXEVLKFVSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000287358362 257085378 /nfs/dbraw/zinc/08/53/78/257085378.db2.gz BBFSZXGJJQWUSL-KXEVLKFVSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000287972557 257134950 /nfs/dbraw/zinc/13/49/50/257134950.db2.gz JENSMUQZGBYJCS-BJAXAZRTSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000287972557 257134951 /nfs/dbraw/zinc/13/49/51/257134951.db2.gz JENSMUQZGBYJCS-BJAXAZRTSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289302145 257273163 /nfs/dbraw/zinc/27/31/63/257273163.db2.gz RAMDWPHYOPDQQQ-OGWHTMIXSA-N 1 3 358.482 2.775 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289302145 257273164 /nfs/dbraw/zinc/27/31/64/257273164.db2.gz RAMDWPHYOPDQQQ-OGWHTMIXSA-N 1 3 358.482 2.775 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000291192348 257390751 /nfs/dbraw/zinc/39/07/51/257390751.db2.gz PGURAYMASAJRHF-XZOQPEGZSA-N 1 3 371.569 2.661 20 0 FFADHO Cc1[nH+]c2ccccc2c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1C ZINC000302096064 258088017 /nfs/dbraw/zinc/08/80/17/258088017.db2.gz SCJUVPCDUWXYLI-IBGZPJMESA-N 1 3 352.482 2.770 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000331377953 258183765 /nfs/dbraw/zinc/18/37/65/258183765.db2.gz FMJXFTICVGCBEN-CKJXQJPGSA-N 1 3 359.514 2.518 20 0 FFADHO CNc1cc(N2CCC[C@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)ncn1 ZINC000329195160 258132089 /nfs/dbraw/zinc/13/20/89/258132089.db2.gz VBRFHFNHVUGPIM-IBGZPJMESA-N 1 3 372.561 2.874 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333257273 258258600 /nfs/dbraw/zinc/25/86/00/258258600.db2.gz FNTGCQUVJOBGSB-RTBURBONSA-N 1 3 360.498 2.705 20 0 FFADHO CC(C)[C@@H](N)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414803293 514300594 /nfs/dbraw/zinc/30/05/94/514300594.db2.gz WKOOJYJXKRFZLD-KRWDZBQOSA-N 1 3 354.336 2.986 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414803293 514300601 /nfs/dbraw/zinc/30/06/01/514300601.db2.gz WKOOJYJXKRFZLD-KRWDZBQOSA-N 1 3 354.336 2.986 20 0 FFADHO NC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC1 ZINC000414872779 514332467 /nfs/dbraw/zinc/33/24/67/514332467.db2.gz GCVIOSOJWVQTJK-UHFFFAOYSA-N 1 3 352.320 2.885 20 0 FFADHO [NH3+]C1(CNC2CCN(Cc3ccccc3Br)CC2)CCC1 ZINC000414872779 514332472 /nfs/dbraw/zinc/33/24/72/514332472.db2.gz GCVIOSOJWVQTJK-UHFFFAOYSA-N 1 3 352.320 2.885 20 0 FFADHO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccccc3CN(C)C)CC2)C[C@H](C)O1 ZINC000373030357 512140516 /nfs/dbraw/zinc/14/05/16/512140516.db2.gz VZTFRFUVLCFMMH-ROUUACIJSA-N 1 3 373.541 2.710 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccccc3CN(C)C)CC2)C[C@H](C)O1 ZINC000373030355 512140704 /nfs/dbraw/zinc/14/07/04/512140704.db2.gz VZTFRFUVLCFMMH-HDICACEKSA-N 1 3 373.541 2.710 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccccc3CN(C)C)CC2)C[C@H](C)O1 ZINC000373030355 512140706 /nfs/dbraw/zinc/14/07/06/512140706.db2.gz VZTFRFUVLCFMMH-HDICACEKSA-N 1 3 373.541 2.710 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000066196280 506445562 /nfs/dbraw/zinc/44/55/62/506445562.db2.gz DLQXYBNAPMTOPT-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000066196280 506445569 /nfs/dbraw/zinc/44/55/69/506445569.db2.gz DLQXYBNAPMTOPT-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000043037981 506690722 /nfs/dbraw/zinc/69/07/22/506690722.db2.gz WQHJYZFMTCOQAF-HXUWFJFHSA-N 1 3 360.546 2.771 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043240197 506719885 /nfs/dbraw/zinc/71/98/85/506719885.db2.gz WZNSDBCXRPOJOX-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043240197 506719888 /nfs/dbraw/zinc/71/98/88/506719888.db2.gz WZNSDBCXRPOJOX-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000377553504 512323324 /nfs/dbraw/zinc/32/33/24/512323324.db2.gz IBOKAHSDSGKZRW-DFQSSKMNSA-N 1 3 359.514 2.849 20 0 FFADHO COc1cc2c(cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)O[C@H](C)C2 ZINC000062252919 507661543 /nfs/dbraw/zinc/66/15/43/507661543.db2.gz DUQONAQHFHSGFA-IKGGRYGDSA-N 1 3 362.514 2.998 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCC3CCCC3)CC2)CC1 ZINC000051760627 507783396 /nfs/dbraw/zinc/78/33/96/507783396.db2.gz XUGRDIORFYBJGZ-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2OCCN(C)C)CC1 ZINC000064739134 507807449 /nfs/dbraw/zinc/80/74/49/507807449.db2.gz GZPPVOFMJCFMRM-UHFFFAOYSA-N 1 3 361.530 2.819 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2OCCN(C)C)CC1 ZINC000064739134 507807450 /nfs/dbraw/zinc/80/74/50/507807450.db2.gz GZPPVOFMJCFMRM-UHFFFAOYSA-N 1 3 361.530 2.819 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@@H](C)O1 ZINC000078601900 507887663 /nfs/dbraw/zinc/88/76/63/507887663.db2.gz TWELKWSBPFPXJW-IAGOWNOFSA-N 1 3 369.509 2.849 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108537438 507901743 /nfs/dbraw/zinc/90/17/43/507901743.db2.gz CLNMTMRKWAGYQX-WOJBJXKFSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108537438 507901746 /nfs/dbraw/zinc/90/17/46/507901746.db2.gz CLNMTMRKWAGYQX-WOJBJXKFSA-N 1 3 356.514 2.607 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000108552571 507903447 /nfs/dbraw/zinc/90/34/47/507903447.db2.gz MIHXWVJSFAQQKC-RTWAWAEBSA-N 1 3 370.541 2.607 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000108552571 507903449 /nfs/dbraw/zinc/90/34/49/507903449.db2.gz MIHXWVJSFAQQKC-RTWAWAEBSA-N 1 3 370.541 2.607 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC000108568030 507905508 /nfs/dbraw/zinc/90/55/08/507905508.db2.gz JMRTYOONELGAFA-SFTDATJTSA-N 1 3 370.541 2.915 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC000108568030 507905510 /nfs/dbraw/zinc/90/55/10/507905510.db2.gz JMRTYOONELGAFA-SFTDATJTSA-N 1 3 370.541 2.915 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000079221348 507945828 /nfs/dbraw/zinc/94/58/28/507945828.db2.gz AILPOIZADAQZBU-OAQYLSRUSA-N 1 3 374.573 2.971 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000079549287 507974639 /nfs/dbraw/zinc/97/46/39/507974639.db2.gz SRYIPYJCJVWRRA-RTBURBONSA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000079549287 507974641 /nfs/dbraw/zinc/97/46/41/507974641.db2.gz SRYIPYJCJVWRRA-RTBURBONSA-N 1 3 360.502 2.512 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000080117116 508040313 /nfs/dbraw/zinc/04/03/13/508040313.db2.gz FHLYTKIZKFULQQ-LMMKCTJWSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000080117116 508040314 /nfs/dbraw/zinc/04/03/14/508040314.db2.gz FHLYTKIZKFULQQ-LMMKCTJWSA-N 1 3 358.530 2.821 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000110718572 508043034 /nfs/dbraw/zinc/04/30/34/508043034.db2.gz WPBCJMCRIIBZKD-IRXDYDNUSA-N 1 3 371.447 2.761 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074857410 508063241 /nfs/dbraw/zinc/06/32/41/508063241.db2.gz FDNRIZBZKORYKE-LEWJYISDSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074857410 508063242 /nfs/dbraw/zinc/06/32/42/508063242.db2.gz FDNRIZBZKORYKE-LEWJYISDSA-N 1 3 372.557 2.533 20 0 FFADHO CC[NH+](CC)CCOC1CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000075007671 508076916 /nfs/dbraw/zinc/07/69/16/508076916.db2.gz XSCKACUTOSFYHD-UHFFFAOYSA-N 1 3 365.493 2.977 20 0 FFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(OCC)cc2)CC1 ZINC000111241056 508081461 /nfs/dbraw/zinc/08/14/61/508081461.db2.gz DGQDFFCPXCWQEC-SFHVURJKSA-N 1 3 350.503 2.631 20 0 FFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(OCC)cc2)CC1 ZINC000111241056 508081462 /nfs/dbraw/zinc/08/14/62/508081462.db2.gz DGQDFFCPXCWQEC-SFHVURJKSA-N 1 3 350.503 2.631 20 0 FFADHO C[C@@H]1C[NH+](CC2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)C[C@@H](C)O1 ZINC000092587465 508084227 /nfs/dbraw/zinc/08/42/27/508084227.db2.gz FOVYPRIGWCJVFX-IAGOWNOFSA-N 1 3 369.513 2.793 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)C[NH+]1CCCCC1 ZINC000093135099 508123778 /nfs/dbraw/zinc/12/37/78/508123778.db2.gz LTKCIDOORWVDRG-GOSISDBHSA-N 1 3 373.545 2.719 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000075684785 508128354 /nfs/dbraw/zinc/12/83/54/508128354.db2.gz DUNHUEQPVBJHFJ-HDICACEKSA-N 1 3 358.526 2.985 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000111846478 508129722 /nfs/dbraw/zinc/12/97/22/508129722.db2.gz LXIWPNYQMCUMIG-GOSISDBHSA-N 1 3 370.541 2.574 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000111881312 508133548 /nfs/dbraw/zinc/13/35/48/508133548.db2.gz QDPFAAPCGVBFDQ-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000111881312 508133552 /nfs/dbraw/zinc/13/35/52/508133552.db2.gz QDPFAAPCGVBFDQ-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CC1CC[NH+](CCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000096997517 508217210 /nfs/dbraw/zinc/21/72/10/508217210.db2.gz AKPMQHNARABPKZ-FQEVSTJZSA-N 1 3 360.546 2.581 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)c(F)c1 ZINC000101602712 508249552 /nfs/dbraw/zinc/24/95/52/508249552.db2.gz GKSBHJCNSOOFIG-SFHVURJKSA-N 1 3 364.509 2.692 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)c(F)c1 ZINC000101602712 508249554 /nfs/dbraw/zinc/24/95/54/508249554.db2.gz GKSBHJCNSOOFIG-SFHVURJKSA-N 1 3 364.509 2.692 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000102011565 508264125 /nfs/dbraw/zinc/26/41/25/508264125.db2.gz DQYTYZLJTYRKEC-UHFFFAOYSA-N 1 3 352.548 2.600 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000102011565 508264128 /nfs/dbraw/zinc/26/41/28/508264128.db2.gz DQYTYZLJTYRKEC-UHFFFAOYSA-N 1 3 352.548 2.600 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000113451125 508268920 /nfs/dbraw/zinc/26/89/20/508268920.db2.gz RBVIVWKDECXHEG-NQIIRXRSSA-N 1 3 357.542 2.740 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076993843 508272393 /nfs/dbraw/zinc/27/23/93/508272393.db2.gz SRFUNXCYIRRDJJ-ZIAGYGMSSA-N 1 3 355.885 2.534 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000085387471 508304805 /nfs/dbraw/zinc/30/48/05/508304805.db2.gz WMYPPNJZSDKHKY-IKGGRYGDSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000085387471 508304807 /nfs/dbraw/zinc/30/48/07/508304807.db2.gz WMYPPNJZSDKHKY-IKGGRYGDSA-N 1 3 364.559 2.867 20 0 FFADHO CCCCCOc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OC ZINC000077450563 508317496 /nfs/dbraw/zinc/31/74/96/508317496.db2.gz UFQMTPYTGZAZTN-UHFFFAOYSA-N 1 3 350.503 2.811 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1 ZINC000086246943 508322816 /nfs/dbraw/zinc/32/28/16/508322816.db2.gz ASQPFFVZKQFAJK-UHFFFAOYSA-N 1 3 367.493 2.957 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000105090048 508360387 /nfs/dbraw/zinc/36/03/87/508360387.db2.gz GFPWJKCNYXISAM-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccsc1 ZINC000105124000 508362288 /nfs/dbraw/zinc/36/22/88/508362288.db2.gz AKNCDUCRDYQRLE-QGZVFWFLSA-N 1 3 352.548 2.772 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000088483316 508372901 /nfs/dbraw/zinc/37/29/01/508372901.db2.gz JFXNJJPJXKKQBL-QZTJIDSGSA-N 1 3 364.534 2.721 20 0 FFADHO C[N@@H+]1CCCN(CCCNCc2csc(-c3cccs3)n2)CC1 ZINC000105476227 508373629 /nfs/dbraw/zinc/37/36/29/508373629.db2.gz ZMCCHOSJUJBCSG-UHFFFAOYSA-N 1 3 350.557 2.989 20 0 FFADHO C[N@H+]1CCCN(CCCNCc2csc(-c3cccs3)n2)CC1 ZINC000105476227 508373632 /nfs/dbraw/zinc/37/36/32/508373632.db2.gz ZMCCHOSJUJBCSG-UHFFFAOYSA-N 1 3 350.557 2.989 20 0 FFADHO C[NH2+]CC1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000152261608 508411469 /nfs/dbraw/zinc/41/14/69/508411469.db2.gz LUNQNDDJXLJUMP-SFHVURJKSA-N 1 3 357.542 2.788 20 0 FFADHO CSc1c(F)cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000133577711 508418684 /nfs/dbraw/zinc/41/86/84/508418684.db2.gz VBCOOYTYNSUXAH-UHFFFAOYSA-N 1 3 360.474 2.644 20 0 FFADHO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000134168405 508502380 /nfs/dbraw/zinc/50/23/80/508502380.db2.gz VOGURIIPXSYCGO-QGZVFWFLSA-N 1 3 361.530 2.925 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000123037521 508625983 /nfs/dbraw/zinc/62/59/83/508625983.db2.gz ZGSRJQKOGOJLLB-IEBWSBKVSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000123037521 508625986 /nfs/dbraw/zinc/62/59/86/508625986.db2.gz ZGSRJQKOGOJLLB-IEBWSBKVSA-N 1 3 362.562 2.909 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000153698897 508629001 /nfs/dbraw/zinc/62/90/01/508629001.db2.gz KSFXPYQATSATSL-NRFANRHFSA-N 1 3 373.541 2.788 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000153700436 508629120 /nfs/dbraw/zinc/62/91/20/508629120.db2.gz FOWPCHQBRBDAKZ-QRVBRYPASA-N 1 3 367.578 2.845 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000153700436 508629121 /nfs/dbraw/zinc/62/91/21/508629121.db2.gz FOWPCHQBRBDAKZ-QRVBRYPASA-N 1 3 367.578 2.845 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)N(C)C)cc1 ZINC000136371936 508689945 /nfs/dbraw/zinc/68/99/45/508689945.db2.gz FDTBBOJNKRNXHR-NJYVYQBISA-N 1 3 372.557 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)N(C)C)cc1 ZINC000136371936 508689949 /nfs/dbraw/zinc/68/99/49/508689949.db2.gz FDTBBOJNKRNXHR-NJYVYQBISA-N 1 3 372.557 2.977 20 0 FFADHO C[C@H]1CCN(CCC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129345507 508715678 /nfs/dbraw/zinc/71/56/78/508715678.db2.gz MPOHEDVEITYEJI-XSDIEEQYSA-N 1 3 370.545 2.936 20 0 FFADHO C[C@H]1CCN(CCC[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129345507 508715682 /nfs/dbraw/zinc/71/56/82/508715682.db2.gz MPOHEDVEITYEJI-XSDIEEQYSA-N 1 3 370.545 2.936 20 0 FFADHO C[C@H]1CC[N@@H+](CCCN2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129345507 508715687 /nfs/dbraw/zinc/71/56/87/508715687.db2.gz MPOHEDVEITYEJI-XSDIEEQYSA-N 1 3 370.545 2.936 20 0 FFADHO C[C@H]1CC[N@H+](CCCN2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129345507 508715694 /nfs/dbraw/zinc/71/56/94/508715694.db2.gz MPOHEDVEITYEJI-XSDIEEQYSA-N 1 3 370.545 2.936 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CCC(C[NH+](C)C)CC2)o1 ZINC000119088176 508723561 /nfs/dbraw/zinc/72/35/61/508723561.db2.gz MEPPAIQXPURAOB-UHFFFAOYSA-N 1 3 364.534 2.782 20 0 FFADHO CC[C@H](CN[C@H](C)CC(=O)Nc1ccc(OC)cc1OC)[NH+]1CCCC1 ZINC000119283970 508764820 /nfs/dbraw/zinc/76/48/20/508764820.db2.gz HUIVWHGYNUQMKH-HZPDHXFCSA-N 1 3 363.502 2.885 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000158971416 508775631 /nfs/dbraw/zinc/77/56/31/508775631.db2.gz ZMNMOMJEDCWYHF-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO CCOC(=O)CC1CC[NH+](Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000159089557 508791167 /nfs/dbraw/zinc/79/11/67/508791167.db2.gz IOCRDQYHNVRKJM-UHFFFAOYSA-N 1 3 373.541 2.994 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000130280767 508809360 /nfs/dbraw/zinc/80/93/60/508809360.db2.gz VBYPEHCVIOWIKR-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)C1 ZINC000124348887 508819152 /nfs/dbraw/zinc/81/91/52/508819152.db2.gz SBGLHNXCMGQBJN-DLBZAZTESA-N 1 3 350.551 2.623 20 0 FFADHO Cc1cccc(-c2cncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2)c1 ZINC000154712735 508840019 /nfs/dbraw/zinc/84/00/19/508840019.db2.gz OZMYWLUSJCVAJV-UHFFFAOYSA-N 1 3 354.498 2.622 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Br ZINC000119820152 508869838 /nfs/dbraw/zinc/86/98/38/508869838.db2.gz YJPFMDSWMIMZTG-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)[NH+]1CCCC1 ZINC000120198284 508948137 /nfs/dbraw/zinc/94/81/37/508948137.db2.gz BUKGUWCRZDJXNH-UHOSZYNNSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000125452117 508985408 /nfs/dbraw/zinc/98/54/08/508985408.db2.gz GCTFJPQQKCDBAV-QZTJIDSGSA-N 1 3 373.541 2.560 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000120869303 509080230 /nfs/dbraw/zinc/08/02/30/509080230.db2.gz KWVNYHQXNZHQFF-APWZRJJASA-N 1 3 358.530 2.951 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000120869303 509080231 /nfs/dbraw/zinc/08/02/31/509080231.db2.gz KWVNYHQXNZHQFF-APWZRJJASA-N 1 3 358.530 2.951 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000126534678 509091937 /nfs/dbraw/zinc/09/19/37/509091937.db2.gz ZIOBULVPVNOZRA-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(OC)ccc1F ZINC000151848900 509095949 /nfs/dbraw/zinc/09/59/49/509095949.db2.gz QRDFTBQHWKDYSC-OAHLLOKOSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(OC)ccc1F ZINC000151848900 509095952 /nfs/dbraw/zinc/09/59/52/509095952.db2.gz QRDFTBQHWKDYSC-OAHLLOKOSA-N 1 3 366.481 2.714 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000120974374 509101040 /nfs/dbraw/zinc/10/10/40/509101040.db2.gz WABCCPVPIPOLTD-APWZRJJASA-N 1 3 350.551 2.765 20 0 FFADHO CN(c1ccccc1CNCCC(=O)N1CCCCC1)C1CC[NH+](C)CC1 ZINC000133084094 509113731 /nfs/dbraw/zinc/11/37/31/509113731.db2.gz QLPUWCXRZNLMQR-UHFFFAOYSA-N 1 3 372.557 2.709 20 0 FFADHO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126703078 509115235 /nfs/dbraw/zinc/11/52/35/509115235.db2.gz DVTKQEJNJLAGSD-QHCPKHFHSA-N 1 3 367.537 2.781 20 0 FFADHO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126703300 509115300 /nfs/dbraw/zinc/11/53/00/509115300.db2.gz DVTKQEJNJLAGSD-HSZRJFAPSA-N 1 3 367.537 2.781 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000133110230 509117933 /nfs/dbraw/zinc/11/79/33/509117933.db2.gz MTILJCCVAMCUGC-MSOLQXFVSA-N 1 3 371.525 2.965 20 0 FFADHO CC(C)N(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000127130583 509169084 /nfs/dbraw/zinc/16/90/84/509169084.db2.gz ONDDTKFSMDRVNM-UHFFFAOYSA-N 1 3 359.436 2.936 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000248146730 509247564 /nfs/dbraw/zinc/24/75/64/509247564.db2.gz QGNWELJLOPISKA-DXMSMQRWSA-N 1 3 350.528 2.576 20 0 FFADHO CN(C)CCOc1cccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000162599450 509262644 /nfs/dbraw/zinc/26/26/44/509262644.db2.gz PZDQWVYCCHHKAD-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCN4CCOCC4)[C@H]3C2)cc1 ZINC000248393664 509289436 /nfs/dbraw/zinc/28/94/36/509289436.db2.gz DYZFPASMPZWVEX-FDFHNCONSA-N 1 3 357.542 2.599 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCN4CCOCC4)[C@@H]3C2)cc1 ZINC000248393661 509289880 /nfs/dbraw/zinc/28/98/80/509289880.db2.gz DYZFPASMPZWVEX-BHDDXSALSA-N 1 3 357.542 2.599 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248394304 509290741 /nfs/dbraw/zinc/29/07/41/509290741.db2.gz FQHBQUAVXNAENG-BWPNAZKDSA-N 1 3 362.562 2.908 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248394304 509290746 /nfs/dbraw/zinc/29/07/46/509290746.db2.gz FQHBQUAVXNAENG-BWPNAZKDSA-N 1 3 362.562 2.908 20 0 FFADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000185662331 509292872 /nfs/dbraw/zinc/29/28/72/509292872.db2.gz DBDXOXJONUIGIM-PBEJRMEISA-N 1 3 374.525 2.872 20 0 FFADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000185662315 509293494 /nfs/dbraw/zinc/29/34/94/509293494.db2.gz DBDXOXJONUIGIM-LRQRDZAKSA-N 1 3 374.525 2.872 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248398412 509294076 /nfs/dbraw/zinc/29/40/76/509294076.db2.gz IXKTYBVWEKMRAE-SQNIBIBYSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398412 509294083 /nfs/dbraw/zinc/29/40/83/509294083.db2.gz IXKTYBVWEKMRAE-SQNIBIBYSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)CN1CCOCC1 ZINC000248407656 509303723 /nfs/dbraw/zinc/30/37/23/509303723.db2.gz UQBATDIXUNUMSL-XBYSBRQOSA-N 1 3 371.569 2.845 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCO2 ZINC000248428221 509313987 /nfs/dbraw/zinc/31/39/87/509313987.db2.gz AOXKVAOXRNDBRU-HNAYVOBHSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCO2 ZINC000248428221 509313995 /nfs/dbraw/zinc/31/39/95/509313995.db2.gz AOXKVAOXRNDBRU-HNAYVOBHSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000176138247 509343249 /nfs/dbraw/zinc/34/32/49/509343249.db2.gz LKCSSYPYNYGCDS-QGZVFWFLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000176138247 509343253 /nfs/dbraw/zinc/34/32/53/509343253.db2.gz LKCSSYPYNYGCDS-QGZVFWFLSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189076133 509400362 /nfs/dbraw/zinc/40/03/62/509400362.db2.gz XRTRIZDHVPEGPO-AOCRQIFASA-N 1 3 369.509 2.915 20 0 FFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000179398844 509421494 /nfs/dbraw/zinc/42/14/94/509421494.db2.gz FVCMPMWWXYZSDR-QGZVFWFLSA-N 1 3 359.470 2.550 20 0 FFADHO NC(=O)[C@H](Cc1ccc(Cl)cc1)NCCCCC[NH+]1CCCCC1 ZINC000185923499 509428386 /nfs/dbraw/zinc/42/83/86/509428386.db2.gz TVTGZIDOPLOQTP-SFHVURJKSA-N 1 3 351.922 2.982 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000163931966 509443090 /nfs/dbraw/zinc/44/30/90/509443090.db2.gz ZVBACJQDRQLMDF-LJQANCHMSA-N 1 3 355.530 2.669 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236604099 509464037 /nfs/dbraw/zinc/46/40/37/509464037.db2.gz LQWGICMHCKZOFR-VQTJNVASSA-N 1 3 369.553 2.965 20 0 FFADHO CC(C)(CNC(=O)[C@@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236664470 509474614 /nfs/dbraw/zinc/47/46/14/509474614.db2.gz ICESPHTWYMVDPC-FQEVSTJZSA-N 1 3 351.494 2.682 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248781117 509482421 /nfs/dbraw/zinc/48/24/21/509482421.db2.gz HZGCBUSCPBAGCE-CEWLAPEOSA-N 1 3 372.557 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248781117 509482429 /nfs/dbraw/zinc/48/24/29/509482429.db2.gz HZGCBUSCPBAGCE-CEWLAPEOSA-N 1 3 372.557 2.784 20 0 FFADHO CC1(C)COCCN1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248884445 509526636 /nfs/dbraw/zinc/52/66/36/509526636.db2.gz LRNJXXDKHOIRFQ-WKCHPHFGSA-N 1 3 357.542 2.882 20 0 FFADHO CC1(C)COCCN1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248884445 509526647 /nfs/dbraw/zinc/52/66/47/509526647.db2.gz LRNJXXDKHOIRFQ-WKCHPHFGSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000248949739 509551714 /nfs/dbraw/zinc/55/17/14/509551714.db2.gz ZSJDDKIBUORRSO-GHTZIAJQSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176606476 509607427 /nfs/dbraw/zinc/60/74/27/509607427.db2.gz MOZUJSMVGVCZPM-RTBURBONSA-N 1 3 364.509 2.772 20 0 FFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000192732459 509618717 /nfs/dbraw/zinc/61/87/17/509618717.db2.gz LLJHGGLSTJJRRQ-UHFFFAOYSA-N 1 3 374.573 2.626 20 0 FFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000192732459 509618721 /nfs/dbraw/zinc/61/87/21/509618721.db2.gz LLJHGGLSTJJRRQ-UHFFFAOYSA-N 1 3 374.573 2.626 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237385629 509637453 /nfs/dbraw/zinc/63/74/53/509637453.db2.gz BNGNDNMVWCQUCV-FXAWDEMLSA-N 1 3 373.541 2.855 20 0 FFADHO C[C@@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000237407009 509640624 /nfs/dbraw/zinc/64/06/24/509640624.db2.gz ROMWQMMPEPYUBU-KRWDZBQOSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccsc2S1 ZINC000168912068 509652155 /nfs/dbraw/zinc/65/21/55/509652155.db2.gz FCQIEIDRFAYFIM-DOTOQJQBSA-N 1 3 369.600 2.653 20 0 FFADHO Cc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC000169090342 509657594 /nfs/dbraw/zinc/65/75/94/509657594.db2.gz VADYOLMWACHWPI-HXUWFJFHSA-N 1 3 367.493 2.978 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000249381409 509664959 /nfs/dbraw/zinc/66/49/59/509664959.db2.gz QKETXBHEWMLQLY-FUMNGEBKSA-N 1 3 367.578 2.750 20 0 FFADHO CN(CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000264801416 509714014 /nfs/dbraw/zinc/71/40/14/509714014.db2.gz FCWNKILTWOHYBN-CTXDPNEZSA-N 1 3 356.514 2.575 20 0 FFADHO CN(CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000264801416 509714022 /nfs/dbraw/zinc/71/40/22/509714022.db2.gz FCWNKILTWOHYBN-CTXDPNEZSA-N 1 3 356.514 2.575 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@]3(C)CCCC[NH2+]3)CC2)c1 ZINC000237721149 509719271 /nfs/dbraw/zinc/71/92/71/509719271.db2.gz SNAFDXXDECEUES-QFIPXVFZSA-N 1 3 372.557 2.546 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000264820037 509722388 /nfs/dbraw/zinc/72/23/88/509722388.db2.gz GDOHIDAUYLJSCX-GOSISDBHSA-N 1 3 369.553 2.856 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000251485825 509808421 /nfs/dbraw/zinc/80/84/21/509808421.db2.gz FEBSESNCPPOZDF-IRLDBZIGSA-N 1 3 368.525 2.697 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000251485825 509808429 /nfs/dbraw/zinc/80/84/29/509808429.db2.gz FEBSESNCPPOZDF-IRLDBZIGSA-N 1 3 368.525 2.697 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000189996580 509874718 /nfs/dbraw/zinc/87/47/18/509874718.db2.gz WXNPFRSPJMDPJC-VQIMIIECSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000189996580 509874725 /nfs/dbraw/zinc/87/47/25/509874725.db2.gz WXNPFRSPJMDPJC-VQIMIIECSA-N 1 3 365.493 2.881 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000177142836 509897515 /nfs/dbraw/zinc/89/75/15/509897515.db2.gz FALKVGKJASEITE-WMZOPIPTSA-N 1 3 359.514 2.762 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCC[C@H](C)C1 ZINC000255770711 509936244 /nfs/dbraw/zinc/93/62/44/509936244.db2.gz JYZPVYOCBTUPEX-QYZOEREBSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCC[C@H](C)C1 ZINC000255770711 509936254 /nfs/dbraw/zinc/93/62/54/509936254.db2.gz JYZPVYOCBTUPEX-QYZOEREBSA-N 1 3 352.567 2.918 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000268452834 509938004 /nfs/dbraw/zinc/93/80/04/509938004.db2.gz WMYGOENFWWVUBO-UHFFFAOYSA-N 1 3 362.905 2.851 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1CCCCCC1 ZINC000180480486 509945897 /nfs/dbraw/zinc/94/58/97/509945897.db2.gz LFSJXIXYYYVNLQ-GHTZIAJQSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1CCCCCC1 ZINC000180480486 509945902 /nfs/dbraw/zinc/94/59/02/509945902.db2.gz LFSJXIXYYYVNLQ-GHTZIAJQSA-N 1 3 373.541 2.524 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000174128814 509961503 /nfs/dbraw/zinc/96/15/03/509961503.db2.gz FUQASQUJMGORKD-NRFANRHFSA-N 1 3 372.557 2.532 20 0 FFADHO CN(C(=O)[C@H](N)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261583326 509993823 /nfs/dbraw/zinc/99/38/23/509993823.db2.gz HFZJTKZNPRHEBG-OAQYLSRUSA-N 1 3 351.494 2.679 20 0 FFADHO COc1cccc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000177353574 510008938 /nfs/dbraw/zinc/00/89/38/510008938.db2.gz GAWAHFLXFMQXMW-INIZCTEOSA-N 1 3 355.482 2.837 20 0 FFADHO [NH3+]CCN(CCc1ccccc1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000261669825 510021353 /nfs/dbraw/zinc/02/13/53/510021353.db2.gz GDOULNRUIZXHHN-UHFFFAOYSA-N 1 3 365.521 2.929 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000174253232 510024550 /nfs/dbraw/zinc/02/45/50/510024550.db2.gz HDHQVMHXCJIYBT-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245662248 510069662 /nfs/dbraw/zinc/06/96/62/510069662.db2.gz DHAMXUCDHWFHHF-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245662248 510069665 /nfs/dbraw/zinc/06/96/65/510069665.db2.gz DHAMXUCDHWFHHF-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO CCc1cccc(Cl)c1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261809287 510073537 /nfs/dbraw/zinc/07/35/37/510073537.db2.gz HNMPZSYGGKCZQP-KXBFYZLASA-N 1 3 363.933 2.983 20 0 FFADHO CN1c2ccc(CNCc3cccc(OCC[NH+](C)C)c3)cc2CCC1=O ZINC000187129732 510075394 /nfs/dbraw/zinc/07/53/94/510075394.db2.gz UWKMGTDBDICZHA-UHFFFAOYSA-N 1 3 367.493 2.826 20 0 FFADHO CCc1nc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)sc1C ZINC000174356452 510076066 /nfs/dbraw/zinc/07/60/66/510076066.db2.gz FNVCEJLTWHGIFN-OAHLLOKOSA-N 1 3 367.563 2.894 20 0 FFADHO CCc1nc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)sc1C ZINC000174356452 510076074 /nfs/dbraw/zinc/07/60/74/510076074.db2.gz FNVCEJLTWHGIFN-OAHLLOKOSA-N 1 3 367.563 2.894 20 0 FFADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN1CCN(C)CC1 ZINC000245725882 510109609 /nfs/dbraw/zinc/10/96/09/510109609.db2.gz PNSFCRJNKSEVBM-XXTHSBEZSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000268933188 510145311 /nfs/dbraw/zinc/14/53/11/510145311.db2.gz TZQPYIYEJQHMOZ-URVUXULASA-N 1 3 358.574 2.513 20 0 FFADHO CC[C@@H](c1ccc(Br)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000262027914 510152696 /nfs/dbraw/zinc/15/26/96/510152696.db2.gz YJVLESOZSVVSSJ-HOCLYGCPSA-N 1 3 368.319 2.687 20 0 FFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174523666 510158431 /nfs/dbraw/zinc/15/84/31/510158431.db2.gz FEUDEROEGIWJRK-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187271506 510163014 /nfs/dbraw/zinc/16/30/14/510163014.db2.gz KCPVWNYYWXQYTO-RXVVDRJESA-N 1 3 373.541 2.829 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CN1Cc1ccccc1 ZINC000187300194 510181469 /nfs/dbraw/zinc/18/14/69/510181469.db2.gz MDXSWUANEPLPLB-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO O=C(Nc1cc(Cl)ccc1[O-])C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262275008 510227451 /nfs/dbraw/zinc/22/74/51/510227451.db2.gz TUWTYCVWTGZSSY-UHFFFAOYSA-N 1 3 351.878 2.696 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2csc3ccccc23)C1)[C@H]1CCC[NH2+]1 ZINC000262291163 510234916 /nfs/dbraw/zinc/23/49/16/510234916.db2.gz WCLRZGSMURXBNZ-CRAIPNDOSA-N 1 3 357.523 2.982 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000245997878 510243539 /nfs/dbraw/zinc/24/35/39/510243539.db2.gz RMTILEGACHTXRW-PWRODBHTSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000245997878 510243545 /nfs/dbraw/zinc/24/35/45/510243545.db2.gz RMTILEGACHTXRW-PWRODBHTSA-N 1 3 370.541 2.949 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(CC[NH3+])n1 ZINC000262357587 510255480 /nfs/dbraw/zinc/25/54/80/510255480.db2.gz JQDQIEYRIYGTDA-KRWDZBQOSA-N 1 3 372.538 2.629 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000246112576 510300780 /nfs/dbraw/zinc/30/07/80/510300780.db2.gz CJBPXIIIGVOULG-JQVVWYNYSA-N 1 3 360.542 2.801 20 0 FFADHO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000269246442 510305886 /nfs/dbraw/zinc/30/58/86/510305886.db2.gz MPMBBJWWZGJHIG-LJQANCHMSA-N 1 3 360.502 2.813 20 0 FFADHO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000246138908 510314895 /nfs/dbraw/zinc/31/48/95/510314895.db2.gz GBJJHCDVIJRFLQ-MNZLEMJZSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@@H](C)O1 ZINC000262644655 510348491 /nfs/dbraw/zinc/34/84/91/510348491.db2.gz IEBPAWJSAYUQAV-QZTJIDSGSA-N 1 3 365.562 2.634 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262701520 510375484 /nfs/dbraw/zinc/37/54/84/510375484.db2.gz CGXSPIRMEUFOPM-GOSISDBHSA-N 1 3 355.486 2.902 20 0 FFADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178039048 510393585 /nfs/dbraw/zinc/39/35/85/510393585.db2.gz WIIICZHVHDCBIZ-GBESFXJTSA-N 1 3 353.551 2.647 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000174975554 510415148 /nfs/dbraw/zinc/41/51/48/510415148.db2.gz JUJBWRYJMSOLSZ-FQEVSTJZSA-N 1 3 358.530 2.561 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CSCCN2)CC[N@@H+]1Cc1ccccc1 ZINC000262813135 510423920 /nfs/dbraw/zinc/42/39/20/510423920.db2.gz RMQYCDBKUHAGMV-NEWSRXKRSA-N 1 3 361.555 2.593 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CSCCN2)CC[N@H+]1Cc1ccccc1 ZINC000262813135 510423931 /nfs/dbraw/zinc/42/39/31/510423931.db2.gz RMQYCDBKUHAGMV-NEWSRXKRSA-N 1 3 361.555 2.593 20 0 FFADHO COc1ccccc1COC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246414094 510476647 /nfs/dbraw/zinc/47/66/47/510476647.db2.gz BRQYZGAVKGAUBX-IOMROCGXSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccccc1COC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246414094 510476650 /nfs/dbraw/zinc/47/66/50/510476650.db2.gz BRQYZGAVKGAUBX-IOMROCGXSA-N 1 3 374.525 2.521 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246443327 510491541 /nfs/dbraw/zinc/49/15/41/510491541.db2.gz NUTOYCZCCVZRID-UYAOXDASSA-N 1 3 360.546 2.957 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246443327 510491548 /nfs/dbraw/zinc/49/15/48/510491548.db2.gz NUTOYCZCCVZRID-UYAOXDASSA-N 1 3 360.546 2.957 20 0 FFADHO CC1(C)[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000181707151 510550604 /nfs/dbraw/zinc/55/06/04/510550604.db2.gz TTWDFBUXYQUOED-HBMCJLEFSA-N 1 3 358.526 2.937 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246569599 510560028 /nfs/dbraw/zinc/56/00/28/510560028.db2.gz BMVTUMHDSHRWNW-QKNQBKEWSA-N 1 3 373.516 2.980 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246569599 510560031 /nfs/dbraw/zinc/56/00/31/510560031.db2.gz BMVTUMHDSHRWNW-QKNQBKEWSA-N 1 3 373.516 2.980 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000246577724 510565466 /nfs/dbraw/zinc/56/54/66/510565466.db2.gz WMYPPNJZSDKHKY-ZACQAIPSSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000246577724 510565472 /nfs/dbraw/zinc/56/54/72/510565472.db2.gz WMYPPNJZSDKHKY-ZACQAIPSSA-N 1 3 364.559 2.867 20 0 FFADHO CC1(C)[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H]2CCCO[C@@H]21 ZINC000181860403 510629549 /nfs/dbraw/zinc/62/95/49/510629549.db2.gz ZJBLSXTXBHKSPF-HKBOAZHASA-N 1 3 358.526 2.937 20 0 FFADHO C[C@H]1CC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)C1 ZINC000172383953 510701281 /nfs/dbraw/zinc/70/12/81/510701281.db2.gz WJMSIVQJAUJJJL-HZPDHXFCSA-N 1 3 350.551 2.669 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246867139 510716949 /nfs/dbraw/zinc/71/69/49/510716949.db2.gz DEWSVZIBNWVLBL-IAGOWNOFSA-N 1 3 367.559 2.757 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000246867139 510716959 /nfs/dbraw/zinc/71/69/59/510716959.db2.gz DEWSVZIBNWVLBL-IAGOWNOFSA-N 1 3 367.559 2.757 20 0 FFADHO Cc1ccc2c(c1)CC[C@H]2NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000263660872 510774044 /nfs/dbraw/zinc/77/40/44/510774044.db2.gz AAHQCHLPOWJTLS-OAQYLSRUSA-N 1 3 370.541 2.840 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 ZINC000195341388 510791323 /nfs/dbraw/zinc/79/13/23/510791323.db2.gz BWBVARMDLSDYQL-UHFFFAOYSA-N 1 3 352.429 2.645 20 0 FFADHO COc1ccc(C)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341541 510792082 /nfs/dbraw/zinc/79/20/82/510792082.db2.gz XLJPBMPNMXDCPO-UHFFFAOYSA-N 1 3 360.502 2.684 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CC2CCS(=O)(=O)CC2)CC1 ZINC000270427217 510804826 /nfs/dbraw/zinc/80/48/26/510804826.db2.gz HGDYVMIGJXQSIS-UHFFFAOYSA-N 1 3 364.555 2.655 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(CC2CCS(=O)(=O)CC2)CC1 ZINC000270427217 510804832 /nfs/dbraw/zinc/80/48/32/510804832.db2.gz HGDYVMIGJXQSIS-UHFFFAOYSA-N 1 3 364.555 2.655 20 0 FFADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293939295 510904811 /nfs/dbraw/zinc/90/48/11/510904811.db2.gz YMWUVOWSCDSZPK-INIZCTEOSA-N 1 3 361.486 2.531 20 0 FFADHO Cc1cc(CNC2CCN(c3cc[nH+]cc3)CC2)nc(N2CCCC2)n1 ZINC000297463597 510955352 /nfs/dbraw/zinc/95/53/52/510955352.db2.gz QKZORWOLTZJNDP-UHFFFAOYSA-N 1 3 352.486 2.539 20 0 FFADHO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000285674761 511005037 /nfs/dbraw/zinc/00/50/37/511005037.db2.gz QBUTUQACGIGOTJ-GDBMZVCRSA-N 1 3 374.554 2.850 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285674761 511005042 /nfs/dbraw/zinc/00/50/42/511005042.db2.gz QBUTUQACGIGOTJ-GDBMZVCRSA-N 1 3 374.554 2.850 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285674761 511005047 /nfs/dbraw/zinc/00/50/47/511005047.db2.gz QBUTUQACGIGOTJ-GDBMZVCRSA-N 1 3 374.554 2.850 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361722661 511084854 /nfs/dbraw/zinc/08/48/54/511084854.db2.gz ARCJMSSQMFQEKZ-ZWKOTPCHSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361722661 511084859 /nfs/dbraw/zinc/08/48/59/511084859.db2.gz ARCJMSSQMFQEKZ-ZWKOTPCHSA-N 1 3 355.526 2.596 20 0 FFADHO O=C1CC[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c2ccccc2N1 ZINC000332891033 511140835 /nfs/dbraw/zinc/14/08/35/511140835.db2.gz UJWNRWGJHFWFNP-UFYCRDLUSA-N 1 3 357.498 2.818 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]1SC ZINC000291428830 511193703 /nfs/dbraw/zinc/19/37/03/511193703.db2.gz IYIDIEIERSQYDX-AQNXPRMDSA-N 1 3 364.555 2.642 20 0 FFADHO CN1CCC2(CC1)C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1O2 ZINC000291483470 511215192 /nfs/dbraw/zinc/21/51/92/511215192.db2.gz NDFWGEHIUUNCJJ-IBGZPJMESA-N 1 3 371.525 2.823 20 0 FFADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271489352 511223228 /nfs/dbraw/zinc/22/32/28/511223228.db2.gz LQRAWKMPDMOSAT-KRWDZBQOSA-N 1 3 373.497 2.999 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000333376502 511223597 /nfs/dbraw/zinc/22/35/97/511223597.db2.gz VSWDYBLQWSYDJB-DOMZBBRYSA-N 1 3 366.893 2.624 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C[C@H]1[NH3+] ZINC000333376504 511223778 /nfs/dbraw/zinc/22/37/78/511223778.db2.gz VSWDYBLQWSYDJB-IUODEOHRSA-N 1 3 366.893 2.624 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)CC2CCN(C)CC2)cc1 ZINC000291503943 511224080 /nfs/dbraw/zinc/22/40/80/511224080.db2.gz POCGNJRTAGFQQC-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO CN1CCC(O)(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000279839015 511235692 /nfs/dbraw/zinc/23/56/92/511235692.db2.gz ZSIFYXAQVRUJTM-UHFFFAOYSA-N 1 3 353.304 2.741 20 0 FFADHO COC[C@H](NCc1cc(C[NH2+][C@@H](COC)C2CC2)ccc1F)C1CC1 ZINC000295022422 511255691 /nfs/dbraw/zinc/25/56/91/511255691.db2.gz QSMUGYTYZLGLEY-PMACEKPBSA-N 1 3 350.478 2.855 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000298374963 511262178 /nfs/dbraw/zinc/26/21/78/511262178.db2.gz AUDGTLIIKMXCCR-OAHLLOKOSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000298374963 511262182 /nfs/dbraw/zinc/26/21/82/511262182.db2.gz AUDGTLIIKMXCCR-OAHLLOKOSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCN(C)C(C)C)c1 ZINC000298374963 511262188 /nfs/dbraw/zinc/26/21/88/511262188.db2.gz AUDGTLIIKMXCCR-OAHLLOKOSA-N 1 3 351.491 2.741 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@H](C)O1 ZINC000271758296 511313628 /nfs/dbraw/zinc/31/36/28/511313628.db2.gz XVMZXIYAHMWIJU-CALCHBBNSA-N 1 3 356.514 2.895 20 0 FFADHO CN(c1ncnc2c3ccccc3oc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363063430 511329464 /nfs/dbraw/zinc/32/94/64/511329464.db2.gz BKVBBWOHRUWHIF-MRXNPFEDSA-N 1 3 365.481 2.981 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000283389051 511348120 /nfs/dbraw/zinc/34/81/20/511348120.db2.gz UFXHDVJFBHTJIZ-JTHBVZDNSA-N 1 3 372.601 2.903 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000363322092 511481305 /nfs/dbraw/zinc/48/13/05/511481305.db2.gz ZLJWCZJGSQDHCM-CWJKEVGVSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000363322092 511481309 /nfs/dbraw/zinc/48/13/09/511481309.db2.gz ZLJWCZJGSQDHCM-CWJKEVGVSA-N 1 3 370.541 2.966 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000284150373 511624315 /nfs/dbraw/zinc/62/43/15/511624315.db2.gz PKSVUTTWROOIAA-VXKWHMMOSA-N 1 3 357.542 2.838 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000292778829 511716600 /nfs/dbraw/zinc/71/66/00/511716600.db2.gz YXGSOOYDBCKVEP-BPQIPLTHSA-N 1 3 374.447 2.911 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000292778829 511716608 /nfs/dbraw/zinc/71/66/08/511716608.db2.gz YXGSOOYDBCKVEP-BPQIPLTHSA-N 1 3 374.447 2.911 20 0 FFADHO C[C@H]1CN(C2CC2)CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000296531200 511783744 /nfs/dbraw/zinc/78/37/44/511783744.db2.gz DEBFYUOZRNDNTG-HXUWFJFHSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@H]1CN(C2CC2)CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000296531200 511783750 /nfs/dbraw/zinc/78/37/50/511783750.db2.gz DEBFYUOZRNDNTG-HXUWFJFHSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@@H]1CN(CCCN2CCN(c3ccccc3)CC2)CC[N@@H+](C2CC2)C1 ZINC000296531200 511783756 /nfs/dbraw/zinc/78/37/56/511783756.db2.gz DEBFYUOZRNDNTG-HXUWFJFHSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@@H]1CN(CCCN2CCN(c3ccccc3)CC2)CC[N@H+](C2CC2)C1 ZINC000296531200 511783760 /nfs/dbraw/zinc/78/37/60/511783760.db2.gz DEBFYUOZRNDNTG-HXUWFJFHSA-N 1 3 356.558 2.615 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000363920370 511850521 /nfs/dbraw/zinc/85/05/21/511850521.db2.gz IWYRWAYXCNITIB-ARFHVFGLSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000363920370 511850526 /nfs/dbraw/zinc/85/05/26/511850526.db2.gz IWYRWAYXCNITIB-ARFHVFGLSA-N 1 3 361.486 2.637 20 0 FFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000363923454 511853505 /nfs/dbraw/zinc/85/35/05/511853505.db2.gz HAGYAFONECUKCF-DUXKGJEZSA-N 1 3 368.525 2.803 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364082603 511948559 /nfs/dbraw/zinc/94/85/59/511948559.db2.gz FVQNKHDBVCGOER-SXLOBPIMSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364082603 511948567 /nfs/dbraw/zinc/94/85/67/511948567.db2.gz FVQNKHDBVCGOER-SXLOBPIMSA-N 1 3 359.489 2.781 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000296954754 511964325 /nfs/dbraw/zinc/96/43/25/511964325.db2.gz FSKFGKAVQMXRFE-LAUBAEHRSA-N 1 3 370.541 2.966 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000281942720 512019766 /nfs/dbraw/zinc/01/97/66/512019766.db2.gz LIXVTXKSAJAHHF-UHFFFAOYSA-N 1 3 353.457 2.892 20 0 FFADHO COc1ccc(C[C@@H](C)C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1F ZINC000282123067 512081857 /nfs/dbraw/zinc/08/18/57/512081857.db2.gz AYGUNYQMZLAXIF-MRXNPFEDSA-N 1 3 351.510 2.629 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366587949 512096340 /nfs/dbraw/zinc/09/63/40/512096340.db2.gz BYKLQMMAPZKUDC-NVXWUHKLSA-N 1 3 366.468 2.903 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366587949 512096343 /nfs/dbraw/zinc/09/63/43/512096343.db2.gz BYKLQMMAPZKUDC-NVXWUHKLSA-N 1 3 366.468 2.903 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000364389615 512106053 /nfs/dbraw/zinc/10/60/53/512106053.db2.gz XMNQXQYUNWHMNY-PWRODBHTSA-N 1 3 373.541 2.663 20 0 FFADHO C[N@@H+]1CCCC12CCN(CCCN1CCN(c3ccccc3)CC1)CC2 ZINC000375687286 512455658 /nfs/dbraw/zinc/45/56/58/512455658.db2.gz DZHDNZDEPYODRT-UHFFFAOYSA-N 1 3 356.558 2.759 20 0 FFADHO C[N@H+]1CCCC12CCN(CCCN1CCN(c3ccccc3)CC1)CC2 ZINC000375687286 512455662 /nfs/dbraw/zinc/45/56/62/512455662.db2.gz DZHDNZDEPYODRT-UHFFFAOYSA-N 1 3 356.558 2.759 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1cccnc1 ZINC000367560929 512558133 /nfs/dbraw/zinc/55/81/33/512558133.db2.gz CEPMDHCJVGREFN-CIAFKFPVSA-N 1 3 351.494 2.658 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cccnc1 ZINC000367560929 512558138 /nfs/dbraw/zinc/55/81/38/512558138.db2.gz CEPMDHCJVGREFN-CIAFKFPVSA-N 1 3 351.494 2.658 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cccnc1 ZINC000367560929 512558143 /nfs/dbraw/zinc/55/81/43/512558143.db2.gz CEPMDHCJVGREFN-CIAFKFPVSA-N 1 3 351.494 2.658 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378124287 512603449 /nfs/dbraw/zinc/60/34/49/512603449.db2.gz XQJGRRYGGGVCIG-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378124287 512603455 /nfs/dbraw/zinc/60/34/55/512603455.db2.gz XQJGRRYGGGVCIG-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc3ccccc3c(=O)[nH]2)[C@H](C)C1 ZINC000411557062 512688243 /nfs/dbraw/zinc/68/82/43/512688243.db2.gz YRAHVGNTIPMYNQ-AEFFLSMTSA-N 1 3 372.513 2.605 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc3ccccc3c(=O)[nH]2)[C@H](C)C1 ZINC000411557062 512688248 /nfs/dbraw/zinc/68/82/48/512688248.db2.gz YRAHVGNTIPMYNQ-AEFFLSMTSA-N 1 3 372.513 2.605 20 0 FFADHO COC(=O)c1cc(CN2CCCC3(CC[NH+](C)CC3)C2)cc(C(=O)OC)c1 ZINC000370003427 512722240 /nfs/dbraw/zinc/72/22/40/512722240.db2.gz ATEVXQPYKYRJLY-UHFFFAOYSA-N 1 3 374.481 2.568 20 0 FFADHO CCO[C@@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000411633610 512729149 /nfs/dbraw/zinc/72/91/49/512729149.db2.gz SLNROTGOIFIZIK-RBUKOAKNSA-N 1 3 365.562 2.693 20 0 FFADHO CC1(C)CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1Cc1ccccc1 ZINC000382768079 512879484 /nfs/dbraw/zinc/87/94/84/512879484.db2.gz YMQGMWYIWSWLIM-VXKWHMMOSA-N 1 3 367.537 2.514 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(F)cc1 ZINC000388345632 512894839 /nfs/dbraw/zinc/89/48/39/512894839.db2.gz ZLJMFFBOUYLOHQ-QUCCMNQESA-N 1 3 358.457 2.677 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(F)cc1 ZINC000388345632 512894841 /nfs/dbraw/zinc/89/48/41/512894841.db2.gz ZLJMFFBOUYLOHQ-QUCCMNQESA-N 1 3 358.457 2.677 20 0 FFADHO Cc1noc(C2CCC([NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000368361988 512914541 /nfs/dbraw/zinc/91/45/41/512914541.db2.gz FDNJHMQMBHNORE-BXXOZEPKSA-N 1 3 350.507 2.883 20 0 FFADHO COC1([C@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCC1 ZINC000412030288 512918251 /nfs/dbraw/zinc/91/82/51/512918251.db2.gz ZLOBRAFQKGPFKM-SFHVURJKSA-N 1 3 373.541 2.623 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000376654330 512922688 /nfs/dbraw/zinc/92/26/88/512922688.db2.gz XPXTZUAZHRLYCE-UTKZUKDTSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)COc1ccccc1 ZINC000398111282 512954739 /nfs/dbraw/zinc/95/47/39/512954739.db2.gz DDYAJXGMEPRDRK-UZKOGDIHSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)COc1ccccc1 ZINC000398111282 512954745 /nfs/dbraw/zinc/95/47/45/512954745.db2.gz DDYAJXGMEPRDRK-UZKOGDIHSA-N 1 3 354.494 2.927 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412170850 512985014 /nfs/dbraw/zinc/98/50/14/512985014.db2.gz KWRDBXLKXFEBFJ-HXUWFJFHSA-N 1 3 361.530 2.759 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000374765660 512991207 /nfs/dbraw/zinc/99/12/07/512991207.db2.gz KXAZLZBZEUZDCC-RZUBCFFCSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000370675404 513046528 /nfs/dbraw/zinc/04/65/28/513046528.db2.gz BCBINLXYIFZAIX-GCJKJVERSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H](N)c1ccccc1 ZINC000374883585 513055415 /nfs/dbraw/zinc/05/54/15/513055415.db2.gz SIOYCPPUWKOZST-NDSDBLNTSA-N 1 3 355.457 2.724 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000417635227 513127336 /nfs/dbraw/zinc/12/73/36/513127336.db2.gz WGQIBLNFRCQHQH-JCHJZTRSSA-N 1 3 358.530 2.803 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000445874430 513135048 /nfs/dbraw/zinc/13/50/48/513135048.db2.gz JSHWVLCDRLSWKQ-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(OCCN(C)C)c1 ZINC000415202207 513151665 /nfs/dbraw/zinc/15/16/65/513151665.db2.gz HRJPXOUBHLSSNG-HXUWFJFHSA-N 1 3 360.502 2.543 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)C1CC1 ZINC000445971942 513155807 /nfs/dbraw/zinc/15/58/07/513155807.db2.gz QSOKDEVCIAAYRM-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000417689564 513163358 /nfs/dbraw/zinc/16/33/58/513163358.db2.gz KLCFVLRTIGPEDH-LGYWMIHWSA-N 1 3 370.541 2.981 20 0 FFADHO COC[C@@H]1CCN(Cc2cc(C[N@@H+]3CC[C@H](COC)C3)ccc2F)C1 ZINC000450427494 513190248 /nfs/dbraw/zinc/19/02/48/513190248.db2.gz FPOYWFZKTNBKAV-ZWKOTPCHSA-N 1 3 350.478 2.762 20 0 FFADHO COC[C@@H]1CCN(Cc2cc(C[N@H+]3CC[C@H](COC)C3)ccc2F)C1 ZINC000450427494 513190254 /nfs/dbraw/zinc/19/02/54/513190254.db2.gz FPOYWFZKTNBKAV-ZWKOTPCHSA-N 1 3 350.478 2.762 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000417743911 513192564 /nfs/dbraw/zinc/19/25/64/513192564.db2.gz XTFDVCRIIQBYNL-LZLYRXPVSA-N 1 3 364.559 2.915 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000446267496 513222998 /nfs/dbraw/zinc/22/29/98/513222998.db2.gz SJPLSBHBTZWKKX-CNNODRBYSA-N 1 3 373.541 2.676 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000446267496 513223000 /nfs/dbraw/zinc/22/30/00/513223000.db2.gz SJPLSBHBTZWKKX-CNNODRBYSA-N 1 3 373.541 2.676 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428951202 513231415 /nfs/dbraw/zinc/23/14/15/513231415.db2.gz FDTBDJKSTOMBKW-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000417847458 513234341 /nfs/dbraw/zinc/23/43/41/513234341.db2.gz URPCJSCOFFGVPJ-UZKOGDIHSA-N 1 3 370.541 2.825 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421358282 513234506 /nfs/dbraw/zinc/23/45/06/513234506.db2.gz BGMWULIPBKPOCZ-WGSAOQKQSA-N 1 3 372.557 2.600 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000417847455 513234910 /nfs/dbraw/zinc/23/49/10/513234910.db2.gz URPCJSCOFFGVPJ-CBQOVEMMSA-N 1 3 370.541 2.825 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4cc(C)ccn34)CC2)CC1 ZINC000421365316 513237631 /nfs/dbraw/zinc/23/76/31/513237631.db2.gz BHTQBWXVAHWJNN-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4cc(C)ccn34)CC2)CC1 ZINC000421365316 513237638 /nfs/dbraw/zinc/23/76/38/513237638.db2.gz BHTQBWXVAHWJNN-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4cc(C)ccn34)CC2)CC1 ZINC000421365316 513237641 /nfs/dbraw/zinc/23/76/41/513237641.db2.gz BHTQBWXVAHWJNN-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CC(C)N(Cc1ccc(NC(=O)NCCC[NH3+])cc1)C[C@@H]1CCCCO1 ZINC000415398659 513239368 /nfs/dbraw/zinc/23/93/68/513239368.db2.gz CKWFVXSUKDLOJN-IBGZPJMESA-N 1 3 362.518 2.936 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000417867673 513245945 /nfs/dbraw/zinc/24/59/45/513245945.db2.gz FLWSWYCAQAOLFN-VNWQMFHMSA-N 1 3 356.514 2.574 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440332902 513296255 /nfs/dbraw/zinc/29/62/55/513296255.db2.gz AYQVCKUGKZVVTM-UHFFFAOYSA-N 1 3 359.543 2.712 20 0 FFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417973349 513309746 /nfs/dbraw/zinc/30/97/46/513309746.db2.gz CIQOLBJBTYPEEN-DZFGPLHGSA-N 1 3 366.509 2.562 20 0 FFADHO COC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000446819477 513344385 /nfs/dbraw/zinc/34/43/85/513344385.db2.gz YBTVAGNLHYVWCE-LEWJYISDSA-N 1 3 373.541 2.679 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418132590 513384785 /nfs/dbraw/zinc/38/47/85/513384785.db2.gz DUXXGNAXBUTLGO-UYAOXDASSA-N 1 3 358.530 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000418148161 513391346 /nfs/dbraw/zinc/39/13/46/513391346.db2.gz RAFDKVKXSJTOJG-IRLDBZIGSA-N 1 3 370.541 2.682 20 0 FFADHO CC[NH2+]CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418166811 513401079 /nfs/dbraw/zinc/40/10/79/513401079.db2.gz ZYOISPFPIOSTNJ-LEWJYISDSA-N 1 3 366.509 2.563 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000418179348 513407929 /nfs/dbraw/zinc/40/79/29/513407929.db2.gz ALAIMHVHFHOBRB-AYBZRNKSSA-N 1 3 362.518 2.516 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418186310 513412095 /nfs/dbraw/zinc/41/20/95/513412095.db2.gz CFDWWFCERLXBMB-QUCCMNQESA-N 1 3 360.546 2.787 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000418198408 513417770 /nfs/dbraw/zinc/41/77/70/513417770.db2.gz VDHCNXIFMDULAJ-FQEVSTJZSA-N 1 3 360.546 2.881 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000418230383 513431711 /nfs/dbraw/zinc/43/17/11/513431711.db2.gz ACHFCYLVAAELMD-IBGZPJMESA-N 1 3 350.551 2.671 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418236711 513435419 /nfs/dbraw/zinc/43/54/19/513435419.db2.gz UYWRNZLEYZBSDU-KYJSFNMBSA-N 1 3 364.559 2.638 20 0 FFADHO CCN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000434867325 513450771 /nfs/dbraw/zinc/45/07/71/513450771.db2.gz DOCXFKSAPAZYHC-QRQLOZEOSA-N 1 3 361.555 2.766 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000418291596 513453795 /nfs/dbraw/zinc/45/37/95/513453795.db2.gz AMMCBNHVWSBUJI-MRXNPFEDSA-N 1 3 352.910 2.904 20 0 FFADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000421862789 513454174 /nfs/dbraw/zinc/45/41/74/513454174.db2.gz WRJQQXAHXAHYJJ-QGZVFWFLSA-N 1 3 373.541 2.821 20 0 FFADHO CCCN(C(=O)NC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418304517 513457154 /nfs/dbraw/zinc/45/71/54/513457154.db2.gz FZHGWUHJTOEKJD-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000418325551 513464470 /nfs/dbraw/zinc/46/44/70/513464470.db2.gz JBICGAWXOBFESA-VAMGGRTRSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000418325551 513464477 /nfs/dbraw/zinc/46/44/77/513464477.db2.gz JBICGAWXOBFESA-VAMGGRTRSA-N 1 3 358.530 2.936 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418339356 513471200 /nfs/dbraw/zinc/47/12/00/513471200.db2.gz MDPOMAFFSOTAKF-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418341354 513472574 /nfs/dbraw/zinc/47/25/74/513472574.db2.gz HKSMFMCZFINMBV-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418349131 513477647 /nfs/dbraw/zinc/47/76/47/513477647.db2.gz RTSANNSZPLZKQN-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418355326 513480161 /nfs/dbraw/zinc/48/01/61/513480161.db2.gz WYOWPRZUYDKDLH-GGPKGHCWSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)N(C)Cc1ccccc1 ZINC000415930939 513484021 /nfs/dbraw/zinc/48/40/21/513484021.db2.gz AWNYJHKDZUUGRK-INIZCTEOSA-N 1 3 356.470 2.666 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000415933708 513486955 /nfs/dbraw/zinc/48/69/55/513486955.db2.gz QJCRXJXOOPMFNQ-INIZCTEOSA-N 1 3 360.502 2.513 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418370139 513487389 /nfs/dbraw/zinc/48/73/89/513487389.db2.gz VIFNPIHTSVBMAC-IBGZPJMESA-N 1 3 364.509 2.807 20 0 FFADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000447528031 513499285 /nfs/dbraw/zinc/49/92/85/513499285.db2.gz HSNRQDRLYMLMSF-VXKWHMMOSA-N 1 3 359.558 2.851 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000418425057 513503762 /nfs/dbraw/zinc/50/37/62/513503762.db2.gz HSWXFQQUTBMMND-ZWKOTPCHSA-N 1 3 360.889 2.942 20 0 FFADHO C[NH+](C)CCOCCN[C@H]1CCCOc2ccc(Br)cc21 ZINC000447597234 513518944 /nfs/dbraw/zinc/51/89/44/513518944.db2.gz RSZYCINLYQNZNB-HNNXBMFYSA-N 1 3 357.292 2.831 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000416007569 513534757 /nfs/dbraw/zinc/53/47/57/513534757.db2.gz MYFOCNZXMPIMRM-OCCSQVGLSA-N 1 3 360.424 2.695 20 0 FFADHO C[C@H](C[NH3+])NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418532650 513545637 /nfs/dbraw/zinc/54/56/37/513545637.db2.gz YBKCYQHJUAAMPY-GOSISDBHSA-N 1 3 354.498 2.677 20 0 FFADHO C[C@@H]1C[NH+](CCC2CCN([C@@H]3CCN(C(C)(C)C)C3=O)CC2)C[C@@H](C)O1 ZINC000425413969 513552304 /nfs/dbraw/zinc/55/23/04/513552304.db2.gz CYDKWUYCNPAMND-ZHALLVOQSA-N 1 3 365.562 2.597 20 0 FFADHO CCCCOc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000441382693 513557189 /nfs/dbraw/zinc/55/71/89/513557189.db2.gz LCLVZFDFCHHUEZ-UHFFFAOYSA-N 1 3 363.546 2.990 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418573640 513564076 /nfs/dbraw/zinc/56/40/76/513564076.db2.gz UNYSRLFNRHLOAO-LPHOPBHVSA-N 1 3 358.530 2.666 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418623225 513581671 /nfs/dbraw/zinc/58/16/71/513581671.db2.gz WKUAKKVPKLOZHI-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000416125686 513582522 /nfs/dbraw/zinc/58/25/22/513582522.db2.gz QGDGYSMPUYNXKR-NHCUHLMSSA-N 1 3 353.510 2.969 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000418642542 513588810 /nfs/dbraw/zinc/58/88/10/513588810.db2.gz ASNOUAJVNVQYQP-AZUAARDMSA-N 1 3 358.530 2.622 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000418647278 513589393 /nfs/dbraw/zinc/58/93/93/513589393.db2.gz GPSFEDQINJPTCA-ICSRJNTNSA-N 1 3 358.530 2.909 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663308 513600193 /nfs/dbraw/zinc/60/01/93/513600193.db2.gz WRTAKWWDYSJWGZ-VQTJNVASSA-N 1 3 358.530 2.668 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN(C2CCC2)C1 ZINC000418680349 513609242 /nfs/dbraw/zinc/60/92/42/513609242.db2.gz UPCUXLKRGIVICT-YLJYHZDGSA-N 1 3 358.530 2.982 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418683190 513611030 /nfs/dbraw/zinc/61/10/30/513611030.db2.gz JJIZDPNROFXMRS-WKILWMFISA-N 1 3 352.548 2.586 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418687564 513612522 /nfs/dbraw/zinc/61/25/22/513612522.db2.gz DLHRDWIJRKGGQY-IBGZPJMESA-N 1 3 360.546 2.854 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418689719 513613543 /nfs/dbraw/zinc/61/35/43/513613543.db2.gz GDESXJCSWSHBFT-AWEZNQCLSA-N 1 3 356.461 2.556 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000416168262 513617373 /nfs/dbraw/zinc/61/73/73/513617373.db2.gz XECOEIPFTGHJCQ-OAQYLSRUSA-N 1 3 355.526 2.912 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418728550 513627744 /nfs/dbraw/zinc/62/77/44/513627744.db2.gz NILTUMXETCJTTM-AABGKKOBSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000418745991 513635855 /nfs/dbraw/zinc/63/58/55/513635855.db2.gz WSNONYFIJGXDAS-OALUTQOASA-N 1 3 358.530 2.810 20 0 FFADHO CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418751138 513639327 /nfs/dbraw/zinc/63/93/27/513639327.db2.gz FIEWGMKVAUINBS-INIZCTEOSA-N 1 3 360.493 2.527 20 0 FFADHO CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418766971 513648201 /nfs/dbraw/zinc/64/82/01/513648201.db2.gz LEDWGZZDDMNUCR-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000416214323 513651235 /nfs/dbraw/zinc/65/12/35/513651235.db2.gz LAJQSPGUHALDMD-UHFFFAOYSA-N 1 3 365.521 2.855 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H]1c1ccccc1 ZINC000447993712 513651339 /nfs/dbraw/zinc/65/13/39/513651339.db2.gz ZYCJSHKQDPLOLM-OTWHNJEPSA-N 1 3 358.530 2.851 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H]1c1ccccc1 ZINC000447993712 513651346 /nfs/dbraw/zinc/65/13/46/513651346.db2.gz ZYCJSHKQDPLOLM-OTWHNJEPSA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418774123 513651389 /nfs/dbraw/zinc/65/13/89/513651389.db2.gz RFJGUAAGRHDVPT-QGZVFWFLSA-N 1 3 368.472 2.570 20 0 FFADHO CN(C)C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000416234709 513663375 /nfs/dbraw/zinc/66/33/75/513663375.db2.gz PKKSETFYFQANOQ-NRFANRHFSA-N 1 3 369.484 2.993 20 0 FFADHO C[C@H](CC(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000430707029 513729318 /nfs/dbraw/zinc/72/93/18/513729318.db2.gz OSLFSHAKNCRFJO-UYAOXDASSA-N 1 3 373.541 2.803 20 0 FFADHO C[C@H](CC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000430706851 513729507 /nfs/dbraw/zinc/72/95/07/513729507.db2.gz OLLHONWRHSFOQC-GOSISDBHSA-N 1 3 373.541 2.803 20 0 FFADHO CC(C)[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000436128097 513768161 /nfs/dbraw/zinc/76/81/61/513768161.db2.gz LNNNDLRNOBSYBT-QGZVFWFLSA-N 1 3 350.551 2.623 20 0 FFADHO CN(CCCCCn1nnc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442784201 513780422 /nfs/dbraw/zinc/78/04/22/513780422.db2.gz SREMAPXHNGFSTG-DFNIBXOVSA-N 1 3 354.502 2.725 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000431039243 513811416 /nfs/dbraw/zinc/81/14/16/513811416.db2.gz WGJJBZRCAUTIND-FXAWDEMLSA-N 1 3 361.530 2.672 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000443056510 513854983 /nfs/dbraw/zinc/85/49/83/513854983.db2.gz CTANYIWWCBAVJB-BBRMVZONSA-N 1 3 355.404 2.872 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057496 513855147 /nfs/dbraw/zinc/85/51/47/513855147.db2.gz GSLYNZZGVVICGK-STQMWFEESA-N 1 3 354.292 2.837 20 0 FFADHO N[C@H]1CCCCC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000422696946 513905011 /nfs/dbraw/zinc/90/50/11/513905011.db2.gz SPXKIBYQOLZPIQ-FCHUYYIVSA-N 1 3 358.574 2.834 20 0 FFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000422696947 513905674 /nfs/dbraw/zinc/90/56/74/513905674.db2.gz SPXKIBYQOLZPIQ-FGZHOGPDSA-N 1 3 358.574 2.834 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000422745966 513921356 /nfs/dbraw/zinc/92/13/56/513921356.db2.gz NCKGLKXWMXXNQJ-KDOFPFPSSA-N 1 3 360.527 2.634 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422763595 513925256 /nfs/dbraw/zinc/92/52/56/513925256.db2.gz OWYFIYTXXSRTTN-WTOYTKOKSA-N 1 3 371.500 2.747 20 0 FFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422770222 513926852 /nfs/dbraw/zinc/92/68/52/513926852.db2.gz PXFBKZJMVAVOEU-BHDDXSALSA-N 1 3 357.542 2.919 20 0 FFADHO c1cc(C[NH+]2CCCCCC2)ccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000422777878 513928488 /nfs/dbraw/zinc/92/84/88/513928488.db2.gz GNDWTKGHYXFSKG-FGZHOGPDSA-N 1 3 357.542 2.919 20 0 FFADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000422774062 513929101 /nfs/dbraw/zinc/92/91/01/513929101.db2.gz ZWWACCBAHQTROL-VAMGGRTRSA-N 1 3 373.541 2.572 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2cnccc2c1 ZINC000448853641 513934235 /nfs/dbraw/zinc/93/42/35/513934235.db2.gz QAJFKBNQHQCJHQ-FQEVSTJZSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2cnccc2c1 ZINC000448853641 513934244 /nfs/dbraw/zinc/93/42/44/513934244.db2.gz QAJFKBNQHQCJHQ-FQEVSTJZSA-N 1 3 354.498 2.723 20 0 FFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422803732 513937717 /nfs/dbraw/zinc/93/77/17/513937717.db2.gz GJWJCLYIYHFEEX-GXRSIYKFSA-N 1 3 357.542 2.570 20 0 FFADHO CC(C)C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422805935 513939012 /nfs/dbraw/zinc/93/90/12/513939012.db2.gz MTQBJFLDCAWPKY-SYYKKAFVSA-N 1 3 373.541 2.579 20 0 FFADHO c1cc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc(C[NH+]2CCCCCC2)c1 ZINC000422831002 513945338 /nfs/dbraw/zinc/94/53/38/513945338.db2.gz RXFMPEQJPFNKIG-FGZHOGPDSA-N 1 3 357.542 2.919 20 0 FFADHO Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422830403 513945389 /nfs/dbraw/zinc/94/53/89/513945389.db2.gz QZERACWZUPJMTN-KJJMTIBFSA-N 1 3 357.542 2.879 20 0 FFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422830488 513945429 /nfs/dbraw/zinc/94/54/29/513945429.db2.gz IHUXHTIORNDNCK-MYGLTJDJSA-N 1 3 359.558 2.686 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422889061 513963706 /nfs/dbraw/zinc/96/37/06/513963706.db2.gz OSWOIESEOSCLOQ-XLIONFOSSA-N 1 3 364.965 2.830 20 0 FFADHO NC[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422886705 513964570 /nfs/dbraw/zinc/96/45/70/513964570.db2.gz JQCQACZMZHTQEG-VQIMIIECSA-N 1 3 350.938 2.569 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885901 513964979 /nfs/dbraw/zinc/96/49/79/513964979.db2.gz ZJRUDSMWJXQGOH-HZPDHXFCSA-N 1 3 353.304 2.967 20 0 FFADHO COC[C@H](CCC[NH3+])NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422895888 513968507 /nfs/dbraw/zinc/96/85/07/513968507.db2.gz XEBKVGMEDLWTKS-IBGZPJMESA-N 1 3 359.445 2.922 20 0 FFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422907256 513972010 /nfs/dbraw/zinc/97/20/10/513972010.db2.gz WQVNLEREOFKVEG-FUHWJXTLSA-N 1 3 350.938 2.569 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1ccc(C(F)(F)F)cc1 ZINC000422903821 513972198 /nfs/dbraw/zinc/97/21/98/513972198.db2.gz WQYZJSUEYAWJOC-LAVFITLUSA-N 1 3 372.431 2.955 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccccc1 ZINC000416812500 513977349 /nfs/dbraw/zinc/97/73/49/513977349.db2.gz SXDLUGNUJVLTKR-MOPGFXCFSA-N 1 3 358.530 2.709 20 0 FFADHO Fc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000422937822 513983322 /nfs/dbraw/zinc/98/33/22/513983322.db2.gz OYVBFLGLWYJQDI-KBRIMQKVSA-N 1 3 371.294 2.877 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422955142 513990155 /nfs/dbraw/zinc/99/01/55/513990155.db2.gz ITJWZEJMTBAUSV-DZGCQCFKSA-N 1 3 358.873 2.958 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422953702 513991009 /nfs/dbraw/zinc/99/10/09/513991009.db2.gz GCXGLDXUDMNBRX-HNNXBMFYSA-N 1 3 352.482 2.822 20 0 FFADHO CC[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000414171268 513995669 /nfs/dbraw/zinc/99/56/69/513995669.db2.gz CZQDFNNDHOQTJJ-MJGOQNOKSA-N 1 3 361.530 2.926 20 0 FFADHO CC[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000414171268 513995679 /nfs/dbraw/zinc/99/56/79/513995679.db2.gz CZQDFNNDHOQTJJ-MJGOQNOKSA-N 1 3 361.530 2.926 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000416841652 513997360 /nfs/dbraw/zinc/99/73/60/513997360.db2.gz MDMHCRKPIVTDBT-OXJNMPFZSA-N 1 3 352.482 2.780 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000416843630 513998432 /nfs/dbraw/zinc/99/84/32/513998432.db2.gz OZIMSWURMZZLSO-HOTGVXAUSA-N 1 3 350.532 2.526 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000416847690 513999974 /nfs/dbraw/zinc/99/99/74/513999974.db2.gz VXBXOWURGKWMJE-NJDAHSKKSA-N 1 3 370.541 2.825 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)c1 ZINC000416850724 514001989 /nfs/dbraw/zinc/00/19/89/514001989.db2.gz KKKMHCXCQFJJBF-QRFRQXIXSA-N 1 3 374.529 2.649 20 0 FFADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414192676 514004545 /nfs/dbraw/zinc/00/45/45/514004545.db2.gz MDYNYQKYDHLCJD-OAQYLSRUSA-N 1 3 359.558 2.702 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)Cc1ccccc1 ZINC000416855718 514006181 /nfs/dbraw/zinc/00/61/81/514006181.db2.gz WNQYNIQLPNRZPZ-HXUWFJFHSA-N 1 3 360.546 2.710 20 0 FFADHO C[C@@H](CCc1cccc(F)c1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414199123 514007164 /nfs/dbraw/zinc/00/71/64/514007164.db2.gz QPBFOKOUOZLRNW-SFHVURJKSA-N 1 3 363.521 2.533 20 0 FFADHO C[C@@H]([C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000414197096 514008129 /nfs/dbraw/zinc/00/81/29/514008129.db2.gz PEQRRKDOLSZIJB-OALUTQOASA-N 1 3 351.579 2.978 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)c1 ZINC000416862679 514010518 /nfs/dbraw/zinc/01/05/18/514010518.db2.gz YOPMISVQEGXCTL-RLLQIKCJSA-N 1 3 374.529 2.649 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2ccccc2n1 ZINC000414203301 514011351 /nfs/dbraw/zinc/01/13/51/514011351.db2.gz VAVRWPIGOUTBFW-SFHVURJKSA-N 1 3 368.525 2.682 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](C(F)(F)F)C1 ZINC000431823147 514011948 /nfs/dbraw/zinc/01/19/48/514011948.db2.gz MJAQKWTVURQQGP-BYNSBNAKSA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](C(F)(F)F)C1 ZINC000431823147 514011952 /nfs/dbraw/zinc/01/19/52/514011952.db2.gz MJAQKWTVURQQGP-BYNSBNAKSA-N 1 3 361.452 2.638 20 0 FFADHO Cc1cc(N2CC[C@@H](N[C@H](C)CCCC[NH3+])C2=O)ccc1Br ZINC000423050399 514018842 /nfs/dbraw/zinc/01/88/42/514018842.db2.gz LWRLUCAPOXBMJA-CZUORRHYSA-N 1 3 368.319 2.970 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000416878805 514019046 /nfs/dbraw/zinc/01/90/46/514019046.db2.gz FBKUBAOVSOCIPS-UXHICEINSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000423081998 514034615 /nfs/dbraw/zinc/03/46/15/514034615.db2.gz DRGHRKUPQVWABT-SWLSCSKDSA-N 1 3 354.292 2.662 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCn1cc(Br)cn1 ZINC000423086497 514036398 /nfs/dbraw/zinc/03/63/98/514036398.db2.gz NHQJDWSEVYOVAS-GFCCVEGCSA-N 1 3 366.307 2.939 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1ccccc1CN1CCCCC1 ZINC000416905969 514039103 /nfs/dbraw/zinc/03/91/03/514039103.db2.gz RLLKKYJTVKNNHQ-GOSISDBHSA-N 1 3 358.530 2.861 20 0 FFADHO CCCCNC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426777388 514039411 /nfs/dbraw/zinc/03/94/11/514039411.db2.gz MXTHBSRTJBWRFD-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000416918267 514045930 /nfs/dbraw/zinc/04/59/30/514045930.db2.gz IXLROAJGZYZFCT-HHXXYDBFSA-N 1 3 362.518 2.505 20 0 FFADHO COC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423148029 514060342 /nfs/dbraw/zinc/06/03/42/514060342.db2.gz DWRGBIIBYPCHTI-JCHJZTRSSA-N 1 3 352.906 2.817 20 0 FFADHO CC(C)[C@@H](CNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000449076994 514062133 /nfs/dbraw/zinc/06/21/33/514062133.db2.gz QIMSAWJLYHACPC-QFBILLFUSA-N 1 3 352.544 2.904 20 0 FFADHO CCCc1cc(N2CCN(CCC(=O)N(C)C)CC2)c2ccccc2[nH+]1 ZINC000443889670 514063029 /nfs/dbraw/zinc/06/30/29/514063029.db2.gz RNQLSGGDIAGYEC-UHFFFAOYSA-N 1 3 354.498 2.788 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCCN2CCOCC2)CC1 ZINC000449082303 514065644 /nfs/dbraw/zinc/06/56/44/514065644.db2.gz MGPTVSKPZQLZEE-FQEVSTJZSA-N 1 3 359.558 2.784 20 0 FFADHO O[C@@H](C[NH2+]Cc1ccnc2c(Br)cccc12)CN1CCCC1 ZINC000449088711 514067199 /nfs/dbraw/zinc/06/71/99/514067199.db2.gz BVZZBGMYSVSEMY-AWEZNQCLSA-N 1 3 364.287 2.544 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1cnccc1N ZINC000423177679 514070993 /nfs/dbraw/zinc/07/09/93/514070993.db2.gz HLAMESBIPZYOHH-YRISNDGFSA-N 1 3 354.498 2.682 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1cnccc1N ZINC000423177679 514070998 /nfs/dbraw/zinc/07/09/98/514070998.db2.gz HLAMESBIPZYOHH-YRISNDGFSA-N 1 3 354.498 2.682 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cnccc1N ZINC000423177679 514071005 /nfs/dbraw/zinc/07/10/05/514071005.db2.gz HLAMESBIPZYOHH-YRISNDGFSA-N 1 3 354.498 2.682 20 0 FFADHO COc1ccc([C@H](NCCCNCc2cccnc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423187340 514074676 /nfs/dbraw/zinc/07/46/76/514074676.db2.gz MNFYLRKQXCWGMB-SFTDATJTSA-N 1 3 354.498 2.653 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000420298133 514077769 /nfs/dbraw/zinc/07/77/69/514077769.db2.gz GUZSEQDTEJUYGF-AEFFLSMTSA-N 1 3 361.530 2.612 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000420298133 514077776 /nfs/dbraw/zinc/07/77/76/514077776.db2.gz GUZSEQDTEJUYGF-AEFFLSMTSA-N 1 3 361.530 2.612 20 0 FFADHO C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000420300351 514080283 /nfs/dbraw/zinc/08/02/83/514080283.db2.gz KCZKFWQYTRZRFX-IRXDYDNUSA-N 1 3 363.933 2.805 20 0 FFADHO C[C@@H](Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423231484 514087191 /nfs/dbraw/zinc/08/71/91/514087191.db2.gz LHDNVXTUKBYFMW-UYAOXDASSA-N 1 3 365.525 2.814 20 0 FFADHO C[C@@H](Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423231484 514087199 /nfs/dbraw/zinc/08/71/99/514087199.db2.gz LHDNVXTUKBYFMW-UYAOXDASSA-N 1 3 365.525 2.814 20 0 FFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(N4CCNCC4)cn3)CC2)C1 ZINC000423233349 514087498 /nfs/dbraw/zinc/08/74/98/514087498.db2.gz ODMSXGZTZXVMRW-PKOBYXMFSA-N 1 3 357.546 2.946 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000420319471 514092561 /nfs/dbraw/zinc/09/25/61/514092561.db2.gz PORKOMQECLVZRW-HXUWFJFHSA-N 1 3 373.541 2.708 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC([C@H]3CCC[NH2+]3)CC2)C2CC2)cc1 ZINC000420345889 514103496 /nfs/dbraw/zinc/10/34/96/514103496.db2.gz WUHNCHNCOBMLLY-OAQYLSRUSA-N 1 3 371.525 2.650 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC([C@@H]3CCC[NH2+]3)CC2)C2CC2)cc1 ZINC000420345887 514104043 /nfs/dbraw/zinc/10/40/43/514104043.db2.gz WUHNCHNCOBMLLY-NRFANRHFSA-N 1 3 371.525 2.650 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000417002232 514108116 /nfs/dbraw/zinc/10/81/16/514108116.db2.gz FYAQIHZWLPOOLX-DZJNRPSUSA-N 1 3 364.559 2.818 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccsc1 ZINC000417002316 514108792 /nfs/dbraw/zinc/10/87/92/514108792.db2.gz GEMGGMCYWOYMBK-DZOHQFGASA-N 1 3 364.559 2.900 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCCNCC2)C1 ZINC000417003502 514109643 /nfs/dbraw/zinc/10/96/43/514109643.db2.gz OUHFHBYRAHEJPX-QZTJIDSGSA-N 1 3 358.530 2.669 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000417004094 514110064 /nfs/dbraw/zinc/11/00/64/514110064.db2.gz CIMFZLGZGDNHDC-JFIYKMOQSA-N 1 3 350.551 2.526 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC2)cc1 ZINC000423358025 514116739 /nfs/dbraw/zinc/11/67/39/514116739.db2.gz MZYCITOJIPZCHL-UZLBHIALSA-N 1 3 361.530 2.643 20 0 FFADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420387360 514123053 /nfs/dbraw/zinc/12/30/53/514123053.db2.gz VTNDLGLRSAFRIM-IUODEOHRSA-N 1 3 351.401 2.736 20 0 FFADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420387360 514123058 /nfs/dbraw/zinc/12/30/58/514123058.db2.gz VTNDLGLRSAFRIM-IUODEOHRSA-N 1 3 351.401 2.736 20 0 FFADHO C[C@H]1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000420392400 514126023 /nfs/dbraw/zinc/12/60/23/514126023.db2.gz BJHIFYRZKLAKDU-STQMWFEESA-N 1 3 354.292 2.694 20 0 FFADHO C[C@H]1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000420392398 514126744 /nfs/dbraw/zinc/12/67/44/514126744.db2.gz BJHIFYRZKLAKDU-QWHCGFSZSA-N 1 3 354.292 2.694 20 0 FFADHO C[C@H]1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000420405391 514134785 /nfs/dbraw/zinc/13/47/85/514134785.db2.gz MSRPTLBXNAPOPP-STQMWFEESA-N 1 3 354.292 2.694 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420412583 514139498 /nfs/dbraw/zinc/13/94/98/514139498.db2.gz SILCSLUDCPJZCN-UVUJQTEASA-N 1 3 354.494 2.675 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420412583 514139506 /nfs/dbraw/zinc/13/95/06/514139506.db2.gz SILCSLUDCPJZCN-UVUJQTEASA-N 1 3 354.494 2.675 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000420456739 514153358 /nfs/dbraw/zinc/15/33/58/514153358.db2.gz GWAXABUTAPQNNF-IBGZPJMESA-N 1 3 361.511 2.507 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2nccn21 ZINC000414528318 514164089 /nfs/dbraw/zinc/16/40/89/514164089.db2.gz OIAPEKQKPRJLOT-TZIWHRDSSA-N 1 3 364.493 2.961 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2nccn21 ZINC000414528318 514164094 /nfs/dbraw/zinc/16/40/94/514164094.db2.gz OIAPEKQKPRJLOT-TZIWHRDSSA-N 1 3 364.493 2.961 20 0 FFADHO Cc1cccc2ncc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)n21 ZINC000414543919 514170298 /nfs/dbraw/zinc/17/02/98/514170298.db2.gz CBSUKIIJBLVIFB-UHFFFAOYSA-N 1 3 364.493 2.759 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(N)CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000423581406 514175240 /nfs/dbraw/zinc/17/52/40/514175240.db2.gz ZBCFOMIWBXIYPS-YSIASYRMSA-N 1 3 373.541 2.547 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427310378 514179267 /nfs/dbraw/zinc/17/92/67/514179267.db2.gz YZWOMUYICUTMKV-NSHGMRRFSA-N 1 3 365.562 2.599 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427310378 514179273 /nfs/dbraw/zinc/17/92/73/514179273.db2.gz YZWOMUYICUTMKV-NSHGMRRFSA-N 1 3 365.562 2.599 20 0 FFADHO COC[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000452089597 514184163 /nfs/dbraw/zinc/18/41/63/514184163.db2.gz RMMRCFYYLIVKJA-NRFANRHFSA-N 1 3 373.541 2.647 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417181582 514215190 /nfs/dbraw/zinc/21/51/90/514215190.db2.gz IDWPTHLORGZXPA-LEWJYISDSA-N 1 3 368.525 2.939 20 0 FFADHO COC[C@@]1(C(=O)OC)CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000449456872 514217426 /nfs/dbraw/zinc/21/74/26/514217426.db2.gz TVKRWUKYEYNOQS-OAQYLSRUSA-N 1 3 362.514 2.656 20 0 FFADHO COC[C@@]1(C(=O)OC)CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000449456872 514217430 /nfs/dbraw/zinc/21/74/30/514217430.db2.gz TVKRWUKYEYNOQS-OAQYLSRUSA-N 1 3 362.514 2.656 20 0 FFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000423778632 514226585 /nfs/dbraw/zinc/22/65/85/514226585.db2.gz HMGKFKZZIXBYCZ-ICSRJNTNSA-N 1 3 354.498 2.546 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc2)CC1 ZINC000417214648 514235517 /nfs/dbraw/zinc/23/55/17/514235517.db2.gz LHODIJWSXJBPKY-NJDAHSKKSA-N 1 3 370.541 2.711 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000417220588 514240381 /nfs/dbraw/zinc/24/03/81/514240381.db2.gz LWYWNIGNWKDETN-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000417223194 514243650 /nfs/dbraw/zinc/24/36/50/514243650.db2.gz RJLYBBSITNQNJK-MJGOQNOKSA-N 1 3 356.514 2.607 20 0 FFADHO CCc1ncsc1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000437859531 514253058 /nfs/dbraw/zinc/25/30/58/514253058.db2.gz CMFMOXWOVCBEJC-CQSZACIVSA-N 1 3 353.536 2.585 20 0 FFADHO CCc1ncsc1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000437859531 514253066 /nfs/dbraw/zinc/25/30/66/514253066.db2.gz CMFMOXWOVCBEJC-CQSZACIVSA-N 1 3 353.536 2.585 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714098 514253211 /nfs/dbraw/zinc/25/32/11/514253211.db2.gz WZCXGRSUNSWJGC-LSDHHAIUSA-N 1 3 352.548 2.765 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714098 514253218 /nfs/dbraw/zinc/25/32/18/514253218.db2.gz WZCXGRSUNSWJGC-LSDHHAIUSA-N 1 3 352.548 2.765 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000423898167 514280459 /nfs/dbraw/zinc/28/04/59/514280459.db2.gz PFZZTHMBBUTRLH-MOPGFXCFSA-N 1 3 361.530 2.973 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000417316915 514291278 /nfs/dbraw/zinc/29/12/78/514291278.db2.gz VDTVCQXIYMVHLM-CEXWTWQISA-N 1 3 350.551 2.671 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000417358480 514310529 /nfs/dbraw/zinc/31/05/29/514310529.db2.gz TYVOHXSPAVUOGC-UXHICEINSA-N 1 3 356.514 2.668 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427904473 514343545 /nfs/dbraw/zinc/34/35/45/514343545.db2.gz LBSDFPRULDYHAC-NJDAHSKKSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427904473 514343552 /nfs/dbraw/zinc/34/35/52/514343552.db2.gz LBSDFPRULDYHAC-NJDAHSKKSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000444855112 514352337 /nfs/dbraw/zinc/35/23/37/514352337.db2.gz UXUAWBQURUABQZ-UHFFFAOYSA-N 1 3 360.502 2.623 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3C[C@H](C)NC[C@@H]3C)c2)CC1 ZINC000417468542 514367884 /nfs/dbraw/zinc/36/78/84/514367884.db2.gz OVJZQEVJVVGUKZ-ROUUACIJSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000417475841 514371118 /nfs/dbraw/zinc/37/11/18/514371118.db2.gz BRSAOERBMMTRSL-HXUWFJFHSA-N 1 3 370.497 2.516 20 0 FFADHO FC(F)(F)c1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414998913 514394558 /nfs/dbraw/zinc/39/45/58/514394558.db2.gz ZXASOAHBCVXCED-ZDUSSCGKSA-N 1 3 355.326 2.631 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000438547611 514399829 /nfs/dbraw/zinc/39/98/29/514399829.db2.gz TUKWCAFQGKJDRX-FQEVSTJZSA-N 1 3 359.514 2.650 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000438547611 514399834 /nfs/dbraw/zinc/39/98/34/514399834.db2.gz TUKWCAFQGKJDRX-FQEVSTJZSA-N 1 3 359.514 2.650 20 0 FFADHO C[C@H]1C[C@H]1N1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H](C)C1 ZINC000420957466 514401325 /nfs/dbraw/zinc/40/13/25/514401325.db2.gz BRLHZUILNQSUCV-XQBPLPMBSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@H]1C[C@H]1N1CC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H](C)C1 ZINC000420957466 514401328 /nfs/dbraw/zinc/40/13/28/514401328.db2.gz BRLHZUILNQSUCV-XQBPLPMBSA-N 1 3 357.542 2.681 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438581005 514409010 /nfs/dbraw/zinc/40/90/10/514409010.db2.gz PHMURWWXAOYKKR-OAQYLSRUSA-N 1 3 355.526 2.958 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438581005 514409014 /nfs/dbraw/zinc/40/90/14/514409014.db2.gz PHMURWWXAOYKKR-OAQYLSRUSA-N 1 3 355.526 2.958 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438581003 514409306 /nfs/dbraw/zinc/40/93/06/514409306.db2.gz PHMURWWXAOYKKR-NRFANRHFSA-N 1 3 355.526 2.958 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438581003 514409313 /nfs/dbraw/zinc/40/93/13/514409313.db2.gz PHMURWWXAOYKKR-NRFANRHFSA-N 1 3 355.526 2.958 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCN3CCc4ccccc43)CC2)CC1 ZINC000420972423 514412741 /nfs/dbraw/zinc/41/27/41/514412741.db2.gz AVTGJZYUMUBDSE-UHFFFAOYSA-N 1 3 356.558 2.541 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCN3CCc4ccccc43)CC2)CC1 ZINC000420972423 514412746 /nfs/dbraw/zinc/41/27/46/514412746.db2.gz AVTGJZYUMUBDSE-UHFFFAOYSA-N 1 3 356.558 2.541 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214172 514418612 /nfs/dbraw/zinc/41/86/12/514418612.db2.gz BTOPVUHYRFORIC-KXMRHNKVSA-N 1 3 353.510 2.640 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415075968 514431334 /nfs/dbraw/zinc/43/13/34/514431334.db2.gz BZQXTUYCKLIJOF-NQIIRXRSSA-N 1 3 372.557 2.990 20 0 FFADHO CC(C)OCc1ccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424290655 514449101 /nfs/dbraw/zinc/44/91/01/514449101.db2.gz NEJIEQJNDNGOEQ-GOSISDBHSA-N 1 3 373.541 2.692 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424302434 514451787 /nfs/dbraw/zinc/45/17/87/514451787.db2.gz ZNJRLKPULWJLRK-QGZVFWFLSA-N 1 3 359.514 2.556 20 0 FFADHO COCCCOc1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415120316 514453153 /nfs/dbraw/zinc/45/31/53/514453153.db2.gz GLZRNUMYGDVJOG-FPOVZHCZSA-N 1 3 362.514 2.820 20 0 FFADHO Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000424321745 514456316 /nfs/dbraw/zinc/45/63/16/514456316.db2.gz SSYSNRJTHRUHDN-NBYDKTAJSA-N 1 3 366.509 2.750 20 0 FFADHO C[N@H+](C[C@H](O)CN1CC[C@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433320784 514457698 /nfs/dbraw/zinc/45/76/98/514457698.db2.gz SXLBXOJKURALCQ-QAPCUYQASA-N 1 3 367.331 2.769 20 0 FFADHO C[N@@H+](C[C@H](O)CN1CC[C@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433320784 514457706 /nfs/dbraw/zinc/45/77/06/514457706.db2.gz SXLBXOJKURALCQ-QAPCUYQASA-N 1 3 367.331 2.769 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000439180591 514505145 /nfs/dbraw/zinc/50/51/45/514505145.db2.gz SGQKHHICZHGSAQ-OTWHNJEPSA-N 1 3 350.551 2.909 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000439180591 514505150 /nfs/dbraw/zinc/50/51/50/514505150.db2.gz SGQKHHICZHGSAQ-OTWHNJEPSA-N 1 3 350.551 2.909 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCN1[C@H](C)CCC[C@H]1C)CC2 ZINC000465904377 514515617 /nfs/dbraw/zinc/51/56/17/514515617.db2.gz GLGIYQKOSNCKNK-MKXGPGLRSA-N 1 3 350.551 2.906 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCN1[C@H](C)CCC[C@H]1C)CC2 ZINC000465904377 514515626 /nfs/dbraw/zinc/51/56/26/514515626.db2.gz GLGIYQKOSNCKNK-MKXGPGLRSA-N 1 3 350.551 2.906 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC000475023586 514528254 /nfs/dbraw/zinc/52/82/54/514528254.db2.gz PFYUOMAZQBGXHQ-IRLDBZIGSA-N 1 3 365.521 2.970 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[C@@H]1c1cccs1 ZINC000466018880 514541797 /nfs/dbraw/zinc/54/17/97/514541797.db2.gz RUJQUHPHPWUNCV-RVKKMQEKSA-N 1 3 362.543 2.667 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[C@@H]1c1cccs1 ZINC000466018880 514541805 /nfs/dbraw/zinc/54/18/05/514541805.db2.gz RUJQUHPHPWUNCV-RVKKMQEKSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@H]1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)c2sccc21 ZINC000453116123 514549751 /nfs/dbraw/zinc/54/97/51/514549751.db2.gz HYFISMRDYAKANQ-WMZOPIPTSA-N 1 3 351.560 2.666 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466104412 514559252 /nfs/dbraw/zinc/55/92/52/514559252.db2.gz ONSCAGHBSJNDFU-JFIYKMOQSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000466104412 514559258 /nfs/dbraw/zinc/55/92/58/514559258.db2.gz ONSCAGHBSJNDFU-JFIYKMOQSA-N 1 3 364.559 2.867 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)N(C)C)cc1 ZINC000466144908 514566107 /nfs/dbraw/zinc/56/61/07/514566107.db2.gz OPUDAUIYYIJLPM-XPGWFJOJSA-N 1 3 358.530 2.634 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)N(C)C)cc1 ZINC000466144908 514566113 /nfs/dbraw/zinc/56/61/13/514566113.db2.gz OPUDAUIYYIJLPM-XPGWFJOJSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000475135984 514568337 /nfs/dbraw/zinc/56/83/37/514568337.db2.gz HJJVUKJPEMGHRX-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C4CCCCC4)C3)CC2)CC1 ZINC000458104281 514570014 /nfs/dbraw/zinc/57/00/14/514570014.db2.gz BMJWURCUSUZGMP-UHFFFAOYSA-N 1 3 362.562 2.767 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000466222679 514581281 /nfs/dbraw/zinc/58/12/81/514581281.db2.gz DOYYKNIEZBKNSC-BHIYHBOVSA-N 1 3 350.551 2.525 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453262866 514583204 /nfs/dbraw/zinc/58/32/04/514583204.db2.gz LBKAKWCFEIGCCH-CIAFKFPVSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453262866 514583212 /nfs/dbraw/zinc/58/32/12/514583212.db2.gz LBKAKWCFEIGCCH-CIAFKFPVSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453262866 514583218 /nfs/dbraw/zinc/58/32/18/514583218.db2.gz LBKAKWCFEIGCCH-CIAFKFPVSA-N 1 3 357.542 2.618 20 0 FFADHO O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@H]2CCCCN12 ZINC000453436757 514638350 /nfs/dbraw/zinc/63/83/50/514638350.db2.gz LOZOJLCETATZGY-SSSFQFABSA-N 1 3 353.510 2.925 20 0 FFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C)C(C)C ZINC000508015950 514638911 /nfs/dbraw/zinc/63/89/11/514638911.db2.gz YKZZLHCXZHSTDS-FQEVSTJZSA-N 1 3 362.562 2.920 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000497842782 514655528 /nfs/dbraw/zinc/65/55/28/514655528.db2.gz LTXKXRYUTDVCFD-OALUTQOASA-N 1 3 364.509 2.992 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000497842782 514655535 /nfs/dbraw/zinc/65/55/35/514655535.db2.gz LTXKXRYUTDVCFD-OALUTQOASA-N 1 3 364.509 2.992 20 0 FFADHO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc(OCCN(C)C)c1 ZINC000484480201 514664800 /nfs/dbraw/zinc/66/48/00/514664800.db2.gz LTTKFXOTKPWPSV-VQIMIIECSA-N 1 3 351.560 2.715 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000466519743 514671155 /nfs/dbraw/zinc/67/11/55/514671155.db2.gz AUMKNGGQADTFBE-YSIASYRMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000466553004 514688229 /nfs/dbraw/zinc/68/82/29/514688229.db2.gz RFHAKIFKPAPQQI-SQBLYHGDSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466553004 514688239 /nfs/dbraw/zinc/68/82/39/514688239.db2.gz RFHAKIFKPAPQQI-SQBLYHGDSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000461717340 514704312 /nfs/dbraw/zinc/70/43/12/514704312.db2.gz SKTKLNBKPIGLKU-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000458392264 514759535 /nfs/dbraw/zinc/75/95/35/514759535.db2.gz AXABULFUBRBEGK-UXHICEINSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000458392264 514759541 /nfs/dbraw/zinc/75/95/41/514759541.db2.gz AXABULFUBRBEGK-UXHICEINSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCN(C2CC2)C1 ZINC000458443740 514802885 /nfs/dbraw/zinc/80/28/85/514802885.db2.gz UHDZUAFLCDSFLZ-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458452278 514807818 /nfs/dbraw/zinc/80/78/18/514807818.db2.gz XQSZJHBJOAFYEV-WMZOPIPTSA-N 1 3 364.559 2.795 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458452278 514807820 /nfs/dbraw/zinc/80/78/20/514807820.db2.gz XQSZJHBJOAFYEV-WMZOPIPTSA-N 1 3 364.559 2.795 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000503014492 514880599 /nfs/dbraw/zinc/88/05/99/514880599.db2.gz OGZRTPIBKWSSAH-RTWAWAEBSA-N 1 3 351.494 2.871 20 0 FFADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000489538920 514886604 /nfs/dbraw/zinc/88/66/04/514886604.db2.gz DGMFFTKNHDVUHH-GOSISDBHSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000485295676 514988041 /nfs/dbraw/zinc/98/80/41/514988041.db2.gz VEHGDNQAHIEEEU-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000485295676 514988052 /nfs/dbraw/zinc/98/80/52/514988052.db2.gz VEHGDNQAHIEEEU-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458655846 514991002 /nfs/dbraw/zinc/99/10/02/514991002.db2.gz RZSPNKIZCKWVFR-KAGYGMCKSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458655846 514991006 /nfs/dbraw/zinc/99/10/06/514991006.db2.gz RZSPNKIZCKWVFR-KAGYGMCKSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000489855322 515000449 /nfs/dbraw/zinc/00/04/49/515000449.db2.gz ITWDHVBVNAIJHC-DUXKGJEZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000489855322 515000453 /nfs/dbraw/zinc/00/04/53/515000453.db2.gz ITWDHVBVNAIJHC-DUXKGJEZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489893120 515019169 /nfs/dbraw/zinc/01/91/69/515019169.db2.gz YGZDJDMXFPZFPL-CTAFRAEOSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489893120 515019178 /nfs/dbraw/zinc/01/91/78/515019178.db2.gz YGZDJDMXFPZFPL-CTAFRAEOSA-N 1 3 372.557 2.879 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000458771590 515078533 /nfs/dbraw/zinc/07/85/33/515078533.db2.gz IAXOQKLOLVVPON-HOJAQTOUSA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000458771590 515078544 /nfs/dbraw/zinc/07/85/44/515078544.db2.gz IAXOQKLOLVVPON-HOJAQTOUSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN(C2CCC2)C1 ZINC000490185865 515132992 /nfs/dbraw/zinc/13/29/92/515132992.db2.gz BGBCEMQQVAPYTL-GOSISDBHSA-N 1 3 372.557 2.807 20 0 FFADHO CN1CC=C(CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458963204 515230641 /nfs/dbraw/zinc/23/06/41/515230641.db2.gz BHMUXHUYUQWHIT-UHFFFAOYSA-N 1 3 356.514 2.602 20 0 FFADHO CN1CC=C(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458963204 515230646 /nfs/dbraw/zinc/23/06/46/515230646.db2.gz BHMUXHUYUQWHIT-UHFFFAOYSA-N 1 3 356.514 2.602 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccco1 ZINC000509580693 515242683 /nfs/dbraw/zinc/24/26/83/515242683.db2.gz ZLFUZOSAWCARKI-BSDSXHPESA-N 1 3 362.518 2.977 20 0 FFADHO CN(C)CCN1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462789907 515247019 /nfs/dbraw/zinc/24/70/19/515247019.db2.gz LGLVXHOYULQXOU-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccco1 ZINC000509594555 515249436 /nfs/dbraw/zinc/24/94/36/515249436.db2.gz FNZMFRUPSWAHRO-CVEARBPZSA-N 1 3 350.507 2.835 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509655918 515276803 /nfs/dbraw/zinc/27/68/03/515276803.db2.gz WXBDSSSQIIEILJ-OAQYLSRUSA-N 1 3 358.574 2.862 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000499310506 515279256 /nfs/dbraw/zinc/27/92/56/515279256.db2.gz GIKZBJGKWZSGLP-MAUKXSAKSA-N 1 3 364.534 2.573 20 0 FFADHO C[C@@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000459045204 515284278 /nfs/dbraw/zinc/28/42/78/515284278.db2.gz SMFQDCOZSJFUQN-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000459045204 515284285 /nfs/dbraw/zinc/28/42/85/515284285.db2.gz SMFQDCOZSJFUQN-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccco1 ZINC000499332616 515288013 /nfs/dbraw/zinc/28/80/13/515288013.db2.gz YZVIVBLLJZXQNI-HRCADAONSA-N 1 3 352.523 2.984 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000463016663 515335136 /nfs/dbraw/zinc/33/51/36/515335136.db2.gz UYGALHCZDSTRPW-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000463063578 515354902 /nfs/dbraw/zinc/35/49/02/515354902.db2.gz IOFZLXPIABLUPE-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000463063578 515354911 /nfs/dbraw/zinc/35/49/11/515354911.db2.gz IOFZLXPIABLUPE-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000509876062 515355255 /nfs/dbraw/zinc/35/52/55/515355255.db2.gz BIRBCTZGDFYLAZ-UHFFFAOYSA-N 1 3 355.530 2.594 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CCCC1 ZINC000504786303 515374340 /nfs/dbraw/zinc/37/43/40/515374340.db2.gz PHRWSPPGFDJKDU-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000468709808 515481032 /nfs/dbraw/zinc/48/10/32/515481032.db2.gz ONRNDGPKPUVPIA-GJZGRUSLSA-N 1 3 353.457 2.728 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510336530 515507698 /nfs/dbraw/zinc/50/76/98/515507698.db2.gz NDXJSHHZKIGROS-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000510336530 515507704 /nfs/dbraw/zinc/50/77/04/515507704.db2.gz NDXJSHHZKIGROS-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCCC23CCN(C)CC3)([NH+](C)C)C1 ZINC000510347164 515510579 /nfs/dbraw/zinc/51/05/79/515510579.db2.gz QRQVEVCQIBREBI-YLJYHZDGSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(C1CCC1)N(CCC[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000459409381 515533412 /nfs/dbraw/zinc/53/34/12/515533412.db2.gz HMBFTDPFSWHEIC-UHFFFAOYSA-N 1 3 356.514 2.821 20 0 FFADHO O=C(NCCC[NH2+]C1CCN(c2ccncc2)CC1)c1cccc(F)c1 ZINC000459411491 515534451 /nfs/dbraw/zinc/53/44/51/515534451.db2.gz LXUPJLFCUQJAIP-UHFFFAOYSA-N 1 3 356.445 2.599 20 0 FFADHO CCOc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1C ZINC000500036651 515568024 /nfs/dbraw/zinc/56/80/24/515568024.db2.gz RBDSEYDRCVQDON-IBGZPJMESA-N 1 3 361.530 2.882 20 0 FFADHO CCOc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)ccc1C ZINC000500036651 515568032 /nfs/dbraw/zinc/56/80/32/515568032.db2.gz RBDSEYDRCVQDON-IBGZPJMESA-N 1 3 361.530 2.882 20 0 FFADHO COC(=O)[C@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000459514871 515611528 /nfs/dbraw/zinc/61/15/28/515611528.db2.gz MACBYIFELSBXAB-OAQYLSRUSA-N 1 3 371.456 2.910 20 0 FFADHO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000473421977 515613553 /nfs/dbraw/zinc/61/35/53/515613553.db2.gz SQYXESRHKGZOFT-IXDOHACOSA-N 1 3 350.551 2.621 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000505692331 515633398 /nfs/dbraw/zinc/63/33/98/515633398.db2.gz SQGYWOONUDEFEW-GVDBMIGSSA-N 1 3 362.543 2.811 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000505692331 515633408 /nfs/dbraw/zinc/63/34/08/515633408.db2.gz SQGYWOONUDEFEW-GVDBMIGSSA-N 1 3 362.543 2.811 20 0 FFADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000482566699 515721317 /nfs/dbraw/zinc/72/13/17/515721317.db2.gz NAFAKSJVTVDTBL-DZGCQCFKSA-N 1 3 366.575 2.987 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccccc1 ZINC000510972234 515733110 /nfs/dbraw/zinc/73/31/10/515733110.db2.gz XJSINXAVYZCCJN-RTBURBONSA-N 1 3 356.514 2.702 20 0 FFADHO Cc1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c(OCCN(C)C)c1 ZINC000454841801 515781514 /nfs/dbraw/zinc/78/15/14/515781514.db2.gz QUMZANYADWKAEZ-UHFFFAOYSA-N 1 3 362.518 2.931 20 0 FFADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC/C=C/c3ccncc3)c2)C1 ZINC000487315855 515826580 /nfs/dbraw/zinc/82/65/80/515826580.db2.gz ZEMIYDVDYBWBFM-FNLFUECCSA-N 1 3 364.493 2.582 20 0 FFADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC/C=C/c3ccncc3)c2)C1 ZINC000487315855 515826588 /nfs/dbraw/zinc/82/65/88/515826588.db2.gz ZEMIYDVDYBWBFM-FNLFUECCSA-N 1 3 364.493 2.582 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000511227364 515833232 /nfs/dbraw/zinc/83/32/32/515833232.db2.gz BOUVHZPOKDSPKB-DLBZAZTESA-N 1 3 350.551 2.837 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000511227364 515833238 /nfs/dbraw/zinc/83/32/38/515833238.db2.gz BOUVHZPOKDSPKB-DLBZAZTESA-N 1 3 350.551 2.837 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000494490914 515861209 /nfs/dbraw/zinc/86/12/09/515861209.db2.gz HYEGTOOCMAWXMO-SSGKUCQKSA-N 1 3 371.569 2.988 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000494490914 515861218 /nfs/dbraw/zinc/86/12/18/515861218.db2.gz HYEGTOOCMAWXMO-SSGKUCQKSA-N 1 3 371.569 2.988 20 0 FFADHO CC[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000494490914 515861230 /nfs/dbraw/zinc/86/12/30/515861230.db2.gz HYEGTOOCMAWXMO-SSGKUCQKSA-N 1 3 371.569 2.988 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454985143 515876299 /nfs/dbraw/zinc/87/62/99/515876299.db2.gz RTMSBUGWZXOEIX-HBMCJLEFSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454985143 515876308 /nfs/dbraw/zinc/87/63/08/515876308.db2.gz RTMSBUGWZXOEIX-HBMCJLEFSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000501038456 515946684 /nfs/dbraw/zinc/94/66/84/515946684.db2.gz JZHKZNVYKHYEGY-QZTJIDSGSA-N 1 3 358.530 2.734 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000457539886 515954169 /nfs/dbraw/zinc/95/41/69/515954169.db2.gz OKMLBAOMWDLVHT-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000457539847 515954593 /nfs/dbraw/zinc/95/45/93/515954593.db2.gz OENQBHWCRRQABD-LJQANCHMSA-N 1 3 358.530 2.636 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)CC2CCCCC2)[C@H](C)C1 ZINC000469788717 515966079 /nfs/dbraw/zinc/96/60/79/515966079.db2.gz VWSJCQJCDQXYEA-UYAOXDASSA-N 1 3 367.578 2.752 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000469794139 515970621 /nfs/dbraw/zinc/97/06/21/515970621.db2.gz MXZZOYUSNMIYMT-WMLDXEAASA-N 1 3 355.910 2.970 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCCN1CCCCC1)C1CC1 ZINC000478841283 515981678 /nfs/dbraw/zinc/98/16/78/515981678.db2.gz UXFAJHFCTVIJLZ-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCCN1CCCCC1)C1CC1 ZINC000478841283 515981689 /nfs/dbraw/zinc/98/16/89/515981689.db2.gz UXFAJHFCTVIJLZ-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2OCC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000469861048 516000914 /nfs/dbraw/zinc/00/09/14/516000914.db2.gz HTMDUZTZNKUEMO-AZUAARDMSA-N 1 3 371.525 2.556 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000469907223 516026192 /nfs/dbraw/zinc/02/61/92/516026192.db2.gz MPISYTUYUWMPJT-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN(C2CC2)C1 ZINC000457672105 516059117 /nfs/dbraw/zinc/05/91/17/516059117.db2.gz PRDYSSUPVIVICX-SFHVURJKSA-N 1 3 370.541 2.908 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)C2)C1 ZINC000457686621 516069587 /nfs/dbraw/zinc/06/95/87/516069587.db2.gz ZRWCVESXLGKSIY-QFIPXVFZSA-N 1 3 370.541 2.910 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000511925722 516081431 /nfs/dbraw/zinc/08/14/31/516081431.db2.gz ZZUUHAAVMHMDSP-IBGZPJMESA-N 1 3 364.509 2.773 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000511925722 516081441 /nfs/dbraw/zinc/08/14/41/516081441.db2.gz ZZUUHAAVMHMDSP-IBGZPJMESA-N 1 3 364.509 2.773 20 0 FFADHO Cn1c2ccc(C[NH2+]CC3CCN(c4ccncc4)CC3)cc2oc1=O ZINC000511958099 516093145 /nfs/dbraw/zinc/09/31/45/516093145.db2.gz ZXVUDYDTQJCSJP-UHFFFAOYSA-N 1 3 352.438 2.533 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479218181 516112370 /nfs/dbraw/zinc/11/23/70/516112370.db2.gz FEOZEXUVQZTUBA-XPGWFJOJSA-N 1 3 355.457 2.820 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457753292 516120919 /nfs/dbraw/zinc/12/09/19/516120919.db2.gz XODPIFPTXUVHBC-CEXWTWQISA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457753292 516120926 /nfs/dbraw/zinc/12/09/26/516120926.db2.gz XODPIFPTXUVHBC-CEXWTWQISA-N 1 3 364.578 2.870 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000470122082 516129382 /nfs/dbraw/zinc/12/93/82/516129382.db2.gz LMZNTOTUWIJOAE-SFHVURJKSA-N 1 3 353.551 2.600 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000501533423 516143784 /nfs/dbraw/zinc/14/37/84/516143784.db2.gz QPFLVHKXMWSMIW-RDGPPVDQSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@@H]1C ZINC000501533423 516143791 /nfs/dbraw/zinc/14/37/91/516143791.db2.gz QPFLVHKXMWSMIW-RDGPPVDQSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000501548535 516148398 /nfs/dbraw/zinc/14/83/98/516148398.db2.gz FHWINMQTHSUQBN-GOSISDBHSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000501548535 516148407 /nfs/dbraw/zinc/14/84/07/516148407.db2.gz FHWINMQTHSUQBN-GOSISDBHSA-N 1 3 372.557 2.997 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465429474 516148779 /nfs/dbraw/zinc/14/87/79/516148779.db2.gz XAXFADMCOULYCU-NHCUHLMSSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465429474 516148787 /nfs/dbraw/zinc/14/87/87/516148787.db2.gz XAXFADMCOULYCU-NHCUHLMSSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000501547607 516149917 /nfs/dbraw/zinc/14/99/17/516149917.db2.gz BLUGVPPJNOCJKK-QWFCFKBJSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000501547607 516149922 /nfs/dbraw/zinc/14/99/22/516149922.db2.gz BLUGVPPJNOCJKK-QWFCFKBJSA-N 1 3 360.546 2.721 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000465444284 516156291 /nfs/dbraw/zinc/15/62/91/516156291.db2.gz DSLDJQRCBZWNQC-GOSISDBHSA-N 1 3 350.551 2.959 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000465591010 516204419 /nfs/dbraw/zinc/20/44/19/516204419.db2.gz DVHIBLIPJAVALH-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000501736205 516207749 /nfs/dbraw/zinc/20/77/49/516207749.db2.gz GQDOCWJWWNRWSW-IBGZPJMESA-N 1 3 372.557 2.999 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000501736205 516207761 /nfs/dbraw/zinc/20/77/61/516207761.db2.gz GQDOCWJWWNRWSW-IBGZPJMESA-N 1 3 372.557 2.999 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000488412824 516217264 /nfs/dbraw/zinc/21/72/64/516217264.db2.gz DLMMFNHVKQMITP-ZWKOTPCHSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)c1 ZINC000488448071 516226672 /nfs/dbraw/zinc/22/66/72/516226672.db2.gz YQALGAVRHFZEFM-QZTJIDSGSA-N 1 3 363.571 2.988 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000465681282 516228074 /nfs/dbraw/zinc/22/80/74/516228074.db2.gz AOHVIWQXOJAVNZ-QFBILLFUSA-N 1 3 358.530 2.605 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000465681282 516228081 /nfs/dbraw/zinc/22/80/81/516228081.db2.gz AOHVIWQXOJAVNZ-QFBILLFUSA-N 1 3 358.530 2.605 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000465745791 516246709 /nfs/dbraw/zinc/24/67/09/516246709.db2.gz GHEIKBGSOORAPD-IPMKNSEASA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000465745791 516246717 /nfs/dbraw/zinc/24/67/17/516246717.db2.gz GHEIKBGSOORAPD-IPMKNSEASA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)CCC2 ZINC000512429021 516275702 /nfs/dbraw/zinc/27/57/02/516275702.db2.gz BJGLOJMMBNZNOW-NRFANRHFSA-N 1 3 357.542 2.592 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)CCC2 ZINC000512429021 516275707 /nfs/dbraw/zinc/27/57/07/516275707.db2.gz BJGLOJMMBNZNOW-NRFANRHFSA-N 1 3 357.542 2.592 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000512433151 516277083 /nfs/dbraw/zinc/27/70/83/516277083.db2.gz XQJWWSPOXPGCQI-GHTZIAJQSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000512433151 516277088 /nfs/dbraw/zinc/27/70/88/516277088.db2.gz XQJWWSPOXPGCQI-GHTZIAJQSA-N 1 3 358.530 2.634 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512611039 516313027 /nfs/dbraw/zinc/31/30/27/516313027.db2.gz HFCSORQISUQRMX-YPAWHYETSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512611039 516313030 /nfs/dbraw/zinc/31/30/30/516313030.db2.gz HFCSORQISUQRMX-YPAWHYETSA-N 1 3 371.569 2.988 20 0 FFADHO CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512611039 516313032 /nfs/dbraw/zinc/31/30/32/516313032.db2.gz HFCSORQISUQRMX-YPAWHYETSA-N 1 3 371.569 2.988 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]([NH3+])c3ccccc3)c2)CC1 ZINC000561010030 516335287 /nfs/dbraw/zinc/33/52/87/516335287.db2.gz VEYYKMPAWZYNRB-HXUWFJFHSA-N 1 3 367.497 2.650 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000531217045 516352384 /nfs/dbraw/zinc/35/23/84/516352384.db2.gz NOPXWCNMRNJIAU-QZTJIDSGSA-N 1 3 358.530 2.986 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1ccccc1 ZINC000535435386 516355027 /nfs/dbraw/zinc/35/50/27/516355027.db2.gz JTZICXMGFXKQNK-RBUKOAKNSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccccc1 ZINC000535435386 516355034 /nfs/dbraw/zinc/35/50/34/516355034.db2.gz JTZICXMGFXKQNK-RBUKOAKNSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@H](n2cncn2)C1 ZINC000550665909 516375511 /nfs/dbraw/zinc/37/55/11/516375511.db2.gz QYKOHNKKVZCZPM-VAMGGRTRSA-N 1 3 374.577 2.548 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(COC)c3)CC2)CC1 ZINC000561155171 516413965 /nfs/dbraw/zinc/41/39/65/516413965.db2.gz ICAUFNHKEKKZSY-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO CCC[NH+]1CCC(NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000561182143 516433275 /nfs/dbraw/zinc/43/32/75/516433275.db2.gz AQFPOURJSQAFDM-UHFFFAOYSA-N 1 3 372.513 2.606 20 0 FFADHO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523338296 516442228 /nfs/dbraw/zinc/44/22/28/516442228.db2.gz VLAOMMDLKXXFSS-HXUWFJFHSA-N 1 3 358.530 2.532 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000561196265 516444067 /nfs/dbraw/zinc/44/40/67/516444067.db2.gz QMBJBVSOQZBIGE-FXAWDEMLSA-N 1 3 372.557 2.840 20 0 FFADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1cccc(F)c1 ZINC000517918291 516492328 /nfs/dbraw/zinc/49/23/28/516492328.db2.gz GANFGJXFNSQIFE-DSKINZAPSA-N 1 3 356.441 2.575 20 0 FFADHO CCN(C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000523519765 516495603 /nfs/dbraw/zinc/49/56/03/516495603.db2.gz ACEXEUHTWAWBCG-ROUUACIJSA-N 1 3 360.546 2.915 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000561342167 516531550 /nfs/dbraw/zinc/53/15/50/516531550.db2.gz IAFQUFVPFALCMW-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000561342167 516531560 /nfs/dbraw/zinc/53/15/60/516531560.db2.gz IAFQUFVPFALCMW-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cc(C)cc(C)c1 ZINC000523750364 516568072 /nfs/dbraw/zinc/56/80/72/516568072.db2.gz JCYSDSDJMPYZKN-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cc(C)cc(C)c1 ZINC000523750364 516568080 /nfs/dbraw/zinc/56/80/80/516568080.db2.gz JCYSDSDJMPYZKN-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000536015639 516594379 /nfs/dbraw/zinc/59/43/79/516594379.db2.gz ZYFRDKLQAUXWTQ-HXUWFJFHSA-N 1 3 360.546 2.675 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000523876569 516600266 /nfs/dbraw/zinc/60/02/66/516600266.db2.gz LYIITBIDCGQGFO-IRXDYDNUSA-N 1 3 366.575 2.990 20 0 FFADHO CCN(CC[NH+]1CCCCCC1)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000558134788 516610048 /nfs/dbraw/zinc/61/00/48/516610048.db2.gz QZPZZYPURVEJGV-OAQYLSRUSA-N 1 3 374.573 2.603 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN(C3CCCC3)CC2)([NH+](C)C)C1 ZINC000518364950 516630018 /nfs/dbraw/zinc/63/00/18/516630018.db2.gz YKHHVMCMXULGRE-XLIONFOSSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N(C)C ZINC000561553869 516648991 /nfs/dbraw/zinc/64/89/91/516648991.db2.gz JXZQSWSYRSIZKS-BJLQDIEVSA-N 1 3 358.530 2.866 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524446592 516720984 /nfs/dbraw/zinc/72/09/84/516720984.db2.gz PYURRBZYLONXLL-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524446592 516720993 /nfs/dbraw/zinc/72/09/93/516720993.db2.gz PYURRBZYLONXLL-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[NH+]1CCC(CNC(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 ZINC000558440218 516744411 /nfs/dbraw/zinc/74/44/11/516744411.db2.gz FTBRPGLVHABKHH-UHFFFAOYSA-N 1 3 362.518 2.789 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000518733203 516755068 /nfs/dbraw/zinc/75/50/68/516755068.db2.gz YKGRSLRSJQSGQH-IXDOHACOSA-N 1 3 364.559 2.900 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1c(C)noc1C ZINC000513820003 516768315 /nfs/dbraw/zinc/76/83/15/516768315.db2.gz IDEFEOXQVBRZHH-CRAIPNDOSA-N 1 3 364.534 2.660 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1c(C)noc1C ZINC000513820003 516768324 /nfs/dbraw/zinc/76/83/24/516768324.db2.gz IDEFEOXQVBRZHH-CRAIPNDOSA-N 1 3 364.534 2.660 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000555077216 516770174 /nfs/dbraw/zinc/77/01/74/516770174.db2.gz VUGPJZPBCIPAOJ-SQNIBIBYSA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000555077216 516770180 /nfs/dbraw/zinc/77/01/80/516770180.db2.gz VUGPJZPBCIPAOJ-SQNIBIBYSA-N 1 3 364.921 2.869 20 0 FFADHO CCN(CCNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000518810905 516783483 /nfs/dbraw/zinc/78/34/83/516783483.db2.gz BNMCZCWZOZOKAW-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO CCN(CCNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000518810905 516783494 /nfs/dbraw/zinc/78/34/94/516783494.db2.gz BNMCZCWZOZOKAW-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO COc1cc(F)c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000532196766 516854890 /nfs/dbraw/zinc/85/48/90/516854890.db2.gz AIKCRNJPHTZQFH-HNNXBMFYSA-N 1 3 353.482 2.521 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1C(F)(F)F ZINC000532215335 516860757 /nfs/dbraw/zinc/86/07/57/516860757.db2.gz SMMRBDGHJQEFHT-ZIAGYGMSSA-N 1 3 357.420 2.943 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000525103117 516917169 /nfs/dbraw/zinc/91/71/69/516917169.db2.gz NRPVRKOOZPJQAK-LVCYWYKZSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000525103117 516917182 /nfs/dbraw/zinc/91/71/82/516917182.db2.gz NRPVRKOOZPJQAK-LVCYWYKZSA-N 1 3 357.542 2.929 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000525165075 516939958 /nfs/dbraw/zinc/93/99/58/516939958.db2.gz OZECKJDQXPRASC-UXHICEINSA-N 1 3 358.530 2.626 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000525165075 516939969 /nfs/dbraw/zinc/93/99/69/516939969.db2.gz OZECKJDQXPRASC-UXHICEINSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532504139 517007706 /nfs/dbraw/zinc/00/77/06/517007706.db2.gz CUJGRNSUIYFTKN-HOTGVXAUSA-N 1 3 357.498 2.723 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483925 517010978 /nfs/dbraw/zinc/01/09/78/517010978.db2.gz BCZLEXMCONWAOS-PKOBYXMFSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483925 517010985 /nfs/dbraw/zinc/01/09/85/517010985.db2.gz BCZLEXMCONWAOS-PKOBYXMFSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483925 517010992 /nfs/dbraw/zinc/01/09/92/517010992.db2.gz BCZLEXMCONWAOS-PKOBYXMFSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000514854768 517093901 /nfs/dbraw/zinc/09/39/01/517093901.db2.gz LWULKLQUUMYGAX-HJNYFJLDSA-N 1 3 358.574 2.876 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000519701198 517135380 /nfs/dbraw/zinc/13/53/80/517135380.db2.gz FSLCKGBKCNCLGC-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000519701198 517135391 /nfs/dbraw/zinc/13/53/91/517135391.db2.gz FSLCKGBKCNCLGC-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000519701198 517135405 /nfs/dbraw/zinc/13/54/05/517135405.db2.gz FSLCKGBKCNCLGC-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532836512 517162765 /nfs/dbraw/zinc/16/27/65/517162765.db2.gz BTKFKTSTFUKVMU-MOPGFXCFSA-N 1 3 358.530 2.823 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000532836512 517162769 /nfs/dbraw/zinc/16/27/69/517162769.db2.gz BTKFKTSTFUKVMU-MOPGFXCFSA-N 1 3 358.530 2.823 20 0 FFADHO O=C(C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)NCCN1CCCCCC1 ZINC000552278601 517175315 /nfs/dbraw/zinc/17/53/15/517175315.db2.gz HWRFDFOAFLBVHL-AZUAARDMSA-N 1 3 358.530 2.690 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nccnc2C)CC1 ZINC000559342945 517198358 /nfs/dbraw/zinc/19/83/58/517198358.db2.gz NURRLMRMLIFLNA-UHFFFAOYSA-N 1 3 353.514 2.649 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000532968944 517226996 /nfs/dbraw/zinc/22/69/96/517226996.db2.gz ZEUGTARTJUTKOH-BGYRXZFFSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000532968944 517227005 /nfs/dbraw/zinc/22/70/05/517227005.db2.gz ZEUGTARTJUTKOH-BGYRXZFFSA-N 1 3 355.526 2.617 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CCN1Cc1ccccc1 ZINC000515244569 517269868 /nfs/dbraw/zinc/26/98/68/517269868.db2.gz ACMIROYPZVUYAB-WLRLJWMZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CCN1Cc1ccccc1 ZINC000515244569 517269874 /nfs/dbraw/zinc/26/98/74/517269874.db2.gz ACMIROYPZVUYAB-WLRLJWMZSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000526001058 517285844 /nfs/dbraw/zinc/28/58/44/517285844.db2.gz YWBIAYOURAGXBL-HKUYNNGSSA-N 1 3 364.509 2.597 20 0 FFADHO CN(c1ccccc1C[NH2+]C[C@H](CO)Cc1ccco1)C1CCN(C)CC1 ZINC000533188580 517331155 /nfs/dbraw/zinc/33/11/55/517331155.db2.gz VXBKDFHIHZQUCG-GOSISDBHSA-N 1 3 371.525 2.751 20 0 FFADHO Cc1cc(OC(C)C)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526134562 517363834 /nfs/dbraw/zinc/36/38/34/517363834.db2.gz KKUCHJOATDXCNB-UHFFFAOYSA-N 1 3 350.507 2.739 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000520377879 517368245 /nfs/dbraw/zinc/36/82/45/517368245.db2.gz SWCOBSJMONDFSC-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000520377879 517368253 /nfs/dbraw/zinc/36/82/53/517368253.db2.gz SWCOBSJMONDFSC-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO COc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccn1 ZINC000520482888 517407759 /nfs/dbraw/zinc/40/77/59/517407759.db2.gz KWBRKJNZLFWYLH-MRXNPFEDSA-N 1 3 355.482 2.898 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN2CCC1CC2)c1cccc(OC)c1 ZINC000556429290 517422975 /nfs/dbraw/zinc/42/29/75/517422975.db2.gz HPRGSGCDQOMPRO-FQEVSTJZSA-N 1 3 374.529 2.568 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)[C@H](C)C1 ZINC000537992238 517426550 /nfs/dbraw/zinc/42/65/50/517426550.db2.gz WESVSUADYAOJAR-UTKZUKDTSA-N 1 3 373.541 2.805 20 0 FFADHO CC(C)[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccnc1 ZINC000538101569 517464845 /nfs/dbraw/zinc/46/48/45/517464845.db2.gz XEDWGTSZBQFRHB-OAQYLSRUSA-N 1 3 353.514 2.976 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000559922207 517489488 /nfs/dbraw/zinc/48/94/88/517489488.db2.gz QLQOJGUWGFAOBT-CABCVRRESA-N 1 3 370.335 2.853 20 0 FFADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000562958881 517533453 /nfs/dbraw/zinc/53/34/53/517533453.db2.gz ZKPZPRJKVPWDRI-ZEVBXJOLSA-N 1 3 357.498 2.525 20 0 FFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccncc1 ZINC000553141849 517541281 /nfs/dbraw/zinc/54/12/81/517541281.db2.gz DGUTWRLXCUGNLF-HXUWFJFHSA-N 1 3 358.530 2.845 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000520894356 517544209 /nfs/dbraw/zinc/54/42/09/517544209.db2.gz TUFDTCWKQRDRJA-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO NC(=O)C1CCN(Cc2cccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000516046033 517547544 /nfs/dbraw/zinc/54/75/44/517547544.db2.gz JOAPWCPVJKNMHQ-PWRODBHTSA-N 1 3 370.541 2.717 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C1CC1 ZINC000520987634 517571377 /nfs/dbraw/zinc/57/13/77/517571377.db2.gz CIOOTFGHDFYHIQ-LPHOPBHVSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N(C)C1CC1 ZINC000520987634 517571388 /nfs/dbraw/zinc/57/13/88/517571388.db2.gz CIOOTFGHDFYHIQ-LPHOPBHVSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NCC2=CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000538387000 517598167 /nfs/dbraw/zinc/59/81/67/517598167.db2.gz JZJOYQLXALEPNT-NQIIRXRSSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NCC2=CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000538387000 517598174 /nfs/dbraw/zinc/59/81/74/517598174.db2.gz JZJOYQLXALEPNT-NQIIRXRSSA-N 1 3 370.541 2.848 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000538426234 517615160 /nfs/dbraw/zinc/61/51/60/517615160.db2.gz FLMPZDMDPWNTND-RXVVDRJESA-N 1 3 356.558 2.791 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000533809807 517622701 /nfs/dbraw/zinc/62/27/01/517622701.db2.gz YWKYLLPOMQZFRU-OAQYLSRUSA-N 1 3 372.557 2.677 20 0 FFADHO CC[C@@H](NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccn(C)n1 ZINC000542670532 517681569 /nfs/dbraw/zinc/68/15/69/517681569.db2.gz GXFGSTSHAFZSIG-HXUWFJFHSA-N 1 3 355.530 2.799 20 0 FFADHO CN1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000556868752 517718394 /nfs/dbraw/zinc/71/83/94/517718394.db2.gz BVZWDXYZONDASF-FDFHNCONSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000553462926 517726966 /nfs/dbraw/zinc/72/69/66/517726966.db2.gz VCZPRKKODOLOGY-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000534065103 517728600 /nfs/dbraw/zinc/72/86/00/517728600.db2.gz VXAKCSDSROYWFW-UHFFFAOYSA-N 1 3 364.921 2.637 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](N)Cc1ccccc1 ZINC000563206171 517733541 /nfs/dbraw/zinc/73/35/41/517733541.db2.gz KRPHQVMQEQYZBX-OAQYLSRUSA-N 1 3 366.509 2.717 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000516578257 517752298 /nfs/dbraw/zinc/75/22/98/517752298.db2.gz AALHQKZXASMKIK-RBUKOAKNSA-N 1 3 353.551 2.506 20 0 FFADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)c(F)c1 ZINC000542845611 517777885 /nfs/dbraw/zinc/77/78/85/517777885.db2.gz BDJIUQJTIDUQCR-HXUWFJFHSA-N 1 3 369.500 2.642 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)s2)cn1 ZINC000556964188 517777791 /nfs/dbraw/zinc/77/77/91/517777791.db2.gz KOLWUPGGMVHZQM-AEFFLSMTSA-N 1 3 360.527 2.867 20 0 FFADHO CCc1nncn1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000546679688 517795997 /nfs/dbraw/zinc/79/59/97/517795997.db2.gz ZHHQOVHVSBBHBM-HSALFYBXSA-N 1 3 353.514 2.731 20 0 FFADHO CCc1nncn1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000546679688 517796007 /nfs/dbraw/zinc/79/60/07/517796007.db2.gz ZHHQOVHVSBBHBM-HSALFYBXSA-N 1 3 353.514 2.731 20 0 FFADHO CCc1nncn1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000546679688 517796019 /nfs/dbraw/zinc/79/60/19/517796019.db2.gz ZHHQOVHVSBBHBM-HSALFYBXSA-N 1 3 353.514 2.731 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527640561 517815910 /nfs/dbraw/zinc/81/59/10/517815910.db2.gz MUJYNDIKZWNYJP-UHFFFAOYSA-N 1 3 359.436 2.831 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNCC2 ZINC000516855324 517872698 /nfs/dbraw/zinc/87/26/98/517872698.db2.gz GMDVUOPHFZXGPX-SFHVURJKSA-N 1 3 364.493 2.976 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNCC2 ZINC000516855324 517872713 /nfs/dbraw/zinc/87/27/13/517872713.db2.gz GMDVUOPHFZXGPX-SFHVURJKSA-N 1 3 364.493 2.976 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000560551818 517892143 /nfs/dbraw/zinc/89/21/43/517892143.db2.gz PCQGWHGKLRVTBQ-WMZOPIPTSA-N 1 3 365.468 2.602 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000560551818 517892152 /nfs/dbraw/zinc/89/21/52/517892152.db2.gz PCQGWHGKLRVTBQ-WMZOPIPTSA-N 1 3 365.468 2.602 20 0 FFADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCOCC1 ZINC000539070814 517902070 /nfs/dbraw/zinc/90/20/70/517902070.db2.gz AXKVRZJUSYADSK-OAQYLSRUSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CN1C1CC1 ZINC000557189554 517907532 /nfs/dbraw/zinc/90/75/32/517907532.db2.gz MHKKXLPKEUZFPA-HEFCMCLBSA-N 1 3 352.482 2.764 20 0 FFADHO CCOC(=O)CC(C)(C)CCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000553889235 517953724 /nfs/dbraw/zinc/95/37/24/517953724.db2.gz QXTFFRWBCQEMRF-UHFFFAOYSA-N 1 3 367.578 2.846 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000539372702 518013936 /nfs/dbraw/zinc/01/39/36/518013936.db2.gz BZNJKDUWKXLXCS-OAQYLSRUSA-N 1 3 373.541 2.694 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1CN1CCCCC1 ZINC000527959898 518014664 /nfs/dbraw/zinc/01/46/64/518014664.db2.gz ZRDJNHVLRVIMJD-SCWSEQNSSA-N 1 3 362.514 2.872 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000522175959 518016425 /nfs/dbraw/zinc/01/64/25/518016425.db2.gz OQTCEDRJZQLROG-QWFCFKBJSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000522175959 518016432 /nfs/dbraw/zinc/01/64/32/518016432.db2.gz OQTCEDRJZQLROG-QWFCFKBJSA-N 1 3 358.530 2.530 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](c4ccncc4)C3)CC2)CC1 ZINC000563636658 518039127 /nfs/dbraw/zinc/03/91/27/518039127.db2.gz MLPADPXGFYNBPF-FQEVSTJZSA-N 1 3 370.541 2.594 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000528148604 518120123 /nfs/dbraw/zinc/12/01/23/518120123.db2.gz HYDYGOLUMKRPQE-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000517367370 518130092 /nfs/dbraw/zinc/13/00/92/518130092.db2.gz JUIZLBFHIDWJEX-FRQCXROJSA-N 1 3 360.546 2.884 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000539670396 518134746 /nfs/dbraw/zinc/13/47/46/518134746.db2.gz ZJCSZOIMWIRYDS-HXUWFJFHSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539811110 518165945 /nfs/dbraw/zinc/16/59/45/518165945.db2.gz HRHBIDOWYXKZAM-YSIASYRMSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539811110 518165947 /nfs/dbraw/zinc/16/59/47/518165947.db2.gz HRHBIDOWYXKZAM-YSIASYRMSA-N 1 3 358.530 2.538 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000528291933 518167034 /nfs/dbraw/zinc/16/70/34/518167034.db2.gz FHSKIKUCQBTEBF-HXUWFJFHSA-N 1 3 358.530 2.607 20 0 FFADHO Cc1nn(C)c(C)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000539823002 518168875 /nfs/dbraw/zinc/16/88/75/518168875.db2.gz XMFVWGBXEQDVAB-UHFFFAOYSA-N 1 3 361.578 2.665 20 0 FFADHO COc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1OC(F)F ZINC000539832294 518170114 /nfs/dbraw/zinc/17/01/14/518170114.db2.gz PCALXMLGPQPODD-UHFFFAOYSA-N 1 3 358.429 2.839 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000563890930 518216044 /nfs/dbraw/zinc/21/60/44/518216044.db2.gz UVKCFBIBEGTPOZ-GOSISDBHSA-N 1 3 365.481 2.660 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000563890930 518216049 /nfs/dbraw/zinc/21/60/49/518216049.db2.gz UVKCFBIBEGTPOZ-GOSISDBHSA-N 1 3 365.481 2.660 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000572511682 518226940 /nfs/dbraw/zinc/22/69/40/518226940.db2.gz MEYUITGMQBACRN-ARFHVFGLSA-N 1 3 360.420 2.908 20 0 FFADHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000563916859 518228422 /nfs/dbraw/zinc/22/84/22/518228422.db2.gz WHPGJGGGAKEIMT-VQTJNVASSA-N 1 3 358.530 2.626 20 0 FFADHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000563916859 518228428 /nfs/dbraw/zinc/22/84/28/518228428.db2.gz WHPGJGGGAKEIMT-VQTJNVASSA-N 1 3 358.530 2.626 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569674540 518232469 /nfs/dbraw/zinc/23/24/69/518232469.db2.gz YQETZHBGTQIQGC-MOPGFXCFSA-N 1 3 372.513 2.910 20 0 FFADHO CC(C)C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2cccnc21 ZINC000572612571 518277119 /nfs/dbraw/zinc/27/71/19/518277119.db2.gz GUBBJENRQHDZLW-PKOBYXMFSA-N 1 3 358.530 2.614 20 0 FFADHO CC(C)C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2cccnc21 ZINC000572612571 518277124 /nfs/dbraw/zinc/27/71/24/518277124.db2.gz GUBBJENRQHDZLW-PKOBYXMFSA-N 1 3 358.530 2.614 20 0 FFADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000575868020 518319262 /nfs/dbraw/zinc/31/92/62/518319262.db2.gz MFCQZJAVYNBNTI-CABCVRRESA-N 1 3 350.532 2.525 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000567039563 518323031 /nfs/dbraw/zinc/32/30/31/518323031.db2.gz XJYZGIRQPFKWMP-SFTDATJTSA-N 1 3 372.557 2.930 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000567039563 518323037 /nfs/dbraw/zinc/32/30/37/518323037.db2.gz XJYZGIRQPFKWMP-SFTDATJTSA-N 1 3 372.557 2.930 20 0 FFADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000567160457 518382103 /nfs/dbraw/zinc/38/21/03/518382103.db2.gz JWNVJMMXPRZUIL-QGZVFWFLSA-N 1 3 367.331 2.916 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000567160457 518382110 /nfs/dbraw/zinc/38/21/10/518382110.db2.gz JWNVJMMXPRZUIL-QGZVFWFLSA-N 1 3 367.331 2.916 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567164671 518384736 /nfs/dbraw/zinc/38/47/36/518384736.db2.gz UEIPRYPAZURZBK-UXHICEINSA-N 1 3 373.516 2.886 20 0 FFADHO CN(C(=O)N[C@H](CN)c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576015378 518388629 /nfs/dbraw/zinc/38/86/29/518388629.db2.gz HNKUAFVRWFLUGZ-JIRNRHONSA-N 1 3 352.482 2.764 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(OC)c1C ZINC000564319796 518397294 /nfs/dbraw/zinc/39/72/94/518397294.db2.gz ZVNUJXHKSJAERJ-IBGZPJMESA-N 1 3 363.546 2.860 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(OC)c1C ZINC000564319796 518397300 /nfs/dbraw/zinc/39/73/00/518397300.db2.gz ZVNUJXHKSJAERJ-IBGZPJMESA-N 1 3 363.546 2.860 20 0 FFADHO C[N@H+](C[C@H](O)CNCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CC1 ZINC000581722029 518424894 /nfs/dbraw/zinc/42/48/94/518424894.db2.gz BXJNSDURAWOUCJ-MRXNPFEDSA-N 1 3 360.395 2.921 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CC1 ZINC000581722029 518424899 /nfs/dbraw/zinc/42/48/99/518424899.db2.gz BXJNSDURAWOUCJ-MRXNPFEDSA-N 1 3 360.395 2.921 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H](SC)C3)CC2)CC1 ZINC000578897002 518427246 /nfs/dbraw/zinc/42/72/46/518427246.db2.gz KRNPMSMRDLLHGP-PKOBYXMFSA-N 1 3 367.603 2.973 20 0 FFADHO Cc1ccc(-c2noc([C@@H](C)N3CCN(CC[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000564458906 518461036 /nfs/dbraw/zinc/46/10/36/518461036.db2.gz WZSDWJYZZWRSSE-MSOLQXFVSA-N 1 3 369.513 2.723 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]1 ZINC000578980247 518465038 /nfs/dbraw/zinc/46/50/38/518465038.db2.gz FABNYMCXWLPWSA-KCYZZUKISA-N 1 3 350.532 2.571 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c2cccs2)CC1 ZINC000567336231 518470484 /nfs/dbraw/zinc/47/04/84/518470484.db2.gz JJPAIQHJUPQYLL-BRWVUGGUSA-N 1 3 364.559 2.961 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)Oc4ccccc43)CC2)CC1 ZINC000570173679 518479783 /nfs/dbraw/zinc/47/97/83/518479783.db2.gz KNHMLGQNCKUQRU-QGZVFWFLSA-N 1 3 371.525 2.997 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)C1 ZINC000576209788 518481988 /nfs/dbraw/zinc/48/19/88/518481988.db2.gz SHCJLNXAUMAXPF-VQTJNVASSA-N 1 3 352.482 2.862 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000567356037 518483224 /nfs/dbraw/zinc/48/32/24/518483224.db2.gz FJAGVWREXLYIHL-YLJYHZDGSA-N 1 3 373.545 2.871 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220132 518487911 /nfs/dbraw/zinc/48/79/11/518487911.db2.gz DONBDQNNCIKCIJ-TZIWHRDSSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220132 518487913 /nfs/dbraw/zinc/48/79/13/518487913.db2.gz DONBDQNNCIKCIJ-TZIWHRDSSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220132 518487915 /nfs/dbraw/zinc/48/79/15/518487915.db2.gz DONBDQNNCIKCIJ-TZIWHRDSSA-N 1 3 372.484 2.720 20 0 FFADHO COc1ccc2nc(CN(C)CCCN(C)CC[NH+](C)C)sc2c1 ZINC000567369633 518489979 /nfs/dbraw/zinc/48/99/79/518489979.db2.gz KRRRHKVEHAUXKB-UHFFFAOYSA-N 1 3 350.532 2.620 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000564566922 518506606 /nfs/dbraw/zinc/50/66/06/518506606.db2.gz IJPASZJNAMORCK-UXHICEINSA-N 1 3 352.482 2.517 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000570258994 518519274 /nfs/dbraw/zinc/51/92/74/518519274.db2.gz RTHVVGTUWOBNFA-WKILWMFISA-N 1 3 366.937 2.721 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000579128929 518536238 /nfs/dbraw/zinc/53/62/38/518536238.db2.gz OCASVSPPEJBOLP-UHFFFAOYSA-N 1 3 355.482 2.983 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000564644293 518542380 /nfs/dbraw/zinc/54/23/80/518542380.db2.gz ACOPZTGTCNVUOB-JXFKEZNVSA-N 1 3 354.498 2.823 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000564644293 518542389 /nfs/dbraw/zinc/54/23/89/518542389.db2.gz ACOPZTGTCNVUOB-JXFKEZNVSA-N 1 3 354.498 2.823 20 0 FFADHO CC[C@H](CNC(=O)c1ccccc1CC[NH3+])N1CCc2ccccc2C1 ZINC000564664299 518552458 /nfs/dbraw/zinc/55/24/58/518552458.db2.gz MEIZWJXFQNVHJQ-HXUWFJFHSA-N 1 3 351.494 2.755 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000567553282 518581554 /nfs/dbraw/zinc/58/15/54/518581554.db2.gz KHCYAZMSGJVNHY-HBFSDRIKSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000567553282 518581557 /nfs/dbraw/zinc/58/15/57/518581557.db2.gz KHCYAZMSGJVNHY-HBFSDRIKSA-N 1 3 360.546 2.925 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000582118720 518598288 /nfs/dbraw/zinc/59/82/88/518598288.db2.gz IAZMWAILTASZOG-ZWKOTPCHSA-N 1 3 355.507 2.888 20 0 FFADHO Cc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(-c2ccnn2C)c1 ZINC000570465971 518621115 /nfs/dbraw/zinc/62/11/15/518621115.db2.gz XDPCPGYIGQWEMI-FGZHOGPDSA-N 1 3 368.525 2.863 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000570548953 518663026 /nfs/dbraw/zinc/66/30/26/518663026.db2.gz HDZGBMXTWIDCMS-GOSISDBHSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@@]1(CNC(=O)N2CCC(CC[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000582365331 518719975 /nfs/dbraw/zinc/71/99/75/518719975.db2.gz QTHUCSACICUDJA-NRFANRHFSA-N 1 3 358.530 2.812 20 0 FFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000564989698 518731613 /nfs/dbraw/zinc/73/16/13/518731613.db2.gz XMJWZMSJCXBQCC-HBUWYVDXSA-N 1 3 365.880 2.906 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000570740100 518756270 /nfs/dbraw/zinc/75/62/70/518756270.db2.gz YUZVUXLYZYALEY-KGLIPLIRSA-N 1 3 354.292 2.946 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000570740100 518756271 /nfs/dbraw/zinc/75/62/71/518756271.db2.gz YUZVUXLYZYALEY-KGLIPLIRSA-N 1 3 354.292 2.946 20 0 FFADHO [NH3+]C[C@H]1CN(CCOc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 ZINC000567894661 518772499 /nfs/dbraw/zinc/77/24/99/518772499.db2.gz MXUKCABBORDCLB-AWEZNQCLSA-N 1 3 374.403 2.651 20 0 FFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccccc1F)C(C)C ZINC000588304524 518773483 /nfs/dbraw/zinc/77/34/83/518773483.db2.gz XMDPYJISQPQEKM-UHFFFAOYSA-N 1 3 352.498 2.629 20 0 FFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccccc1F)C(C)C ZINC000588304524 518773487 /nfs/dbraw/zinc/77/34/87/518773487.db2.gz XMDPYJISQPQEKM-UHFFFAOYSA-N 1 3 352.498 2.629 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)[C@H]1c1cccs1 ZINC000573667720 518777205 /nfs/dbraw/zinc/77/72/05/518777205.db2.gz WZIBCFZNLDSEHO-INMHGKMJSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCCNC1 ZINC000573693946 518790264 /nfs/dbraw/zinc/79/02/64/518790264.db2.gz ZREXLCDUGACOHS-IUODEOHRSA-N 1 3 354.292 2.898 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000570925849 518844724 /nfs/dbraw/zinc/84/47/24/518844724.db2.gz MOTADKDIZHKXRR-UFYCRDLUSA-N 1 3 361.530 2.720 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000577011759 518872732 /nfs/dbraw/zinc/87/27/32/518872732.db2.gz DEQWFFRXCJHSGE-XOYOTBSWSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000577011759 518872738 /nfs/dbraw/zinc/87/27/38/518872738.db2.gz DEQWFFRXCJHSGE-XOYOTBSWSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000577011759 518872744 /nfs/dbraw/zinc/87/27/44/518872744.db2.gz DEQWFFRXCJHSGE-XOYOTBSWSA-N 1 3 372.431 2.908 20 0 FFADHO COC[C@]1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC[NH2+]C1 ZINC000574020881 518948495 /nfs/dbraw/zinc/94/84/95/518948495.db2.gz CLCNQEUZHRXWGT-FQEVSTJZSA-N 1 3 356.470 2.600 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000565433286 518953618 /nfs/dbraw/zinc/95/36/18/518953618.db2.gz TZCGOMWNDMNFAJ-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]CCC(=O)Nc3ccccc3)cc2)CC1 ZINC000571158156 518953884 /nfs/dbraw/zinc/95/38/84/518953884.db2.gz YSPHBIRVHRKCTD-UHFFFAOYSA-N 1 3 366.509 2.552 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000568273153 518959776 /nfs/dbraw/zinc/95/97/76/518959776.db2.gz LISCRCCAEXKWHL-HNNXBMFYSA-N 1 3 369.351 2.912 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C1 ZINC000577279228 519004390 /nfs/dbraw/zinc/00/43/90/519004390.db2.gz FTEYVPGQRGQNMI-LEWJYISDSA-N 1 3 371.525 2.641 20 0 FFADHO N[C@@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000582953961 519005809 /nfs/dbraw/zinc/00/58/09/519005809.db2.gz ILGJQALMVNQOMN-FQEVSTJZSA-N 1 3 358.530 2.984 20 0 FFADHO N[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000582953961 519005817 /nfs/dbraw/zinc/00/58/17/519005817.db2.gz ILGJQALMVNQOMN-FQEVSTJZSA-N 1 3 358.530 2.984 20 0 FFADHO C[N@@H+]1CC[C@@](O)(CN[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000580099056 519007650 /nfs/dbraw/zinc/00/76/50/519007650.db2.gz OOAYVXGDSHYXER-IAGOWNOFSA-N 1 3 353.304 2.873 20 0 FFADHO C[N@H+]1CC[C@@](O)(CN[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000580099056 519007653 /nfs/dbraw/zinc/00/76/53/519007653.db2.gz OOAYVXGDSHYXER-IAGOWNOFSA-N 1 3 353.304 2.873 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000565809266 519142559 /nfs/dbraw/zinc/14/25/59/519142559.db2.gz RCZHNOOZUABSIJ-LSDHHAIUSA-N 1 3 369.351 2.768 20 0 FFADHO Clc1ccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000566062603 519273972 /nfs/dbraw/zinc/27/39/72/519273972.db2.gz PEJJFIVLYGPTJZ-LPHOPBHVSA-N 1 3 359.857 2.959 20 0 FFADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000577841531 519283861 /nfs/dbraw/zinc/28/38/61/519283861.db2.gz VGXLAWWQAFDTJX-SFHVURJKSA-N 1 3 353.466 2.759 20 0 FFADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCCC2=CC[NH2+]CC2)cc1 ZINC000566092182 519293062 /nfs/dbraw/zinc/29/30/62/519293062.db2.gz RDUJUNSCETVHER-PMACEKPBSA-N 1 3 362.539 2.979 20 0 FFADHO C[C@@H](CNC[C@@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000566106335 519302103 /nfs/dbraw/zinc/30/21/03/519302103.db2.gz MRRDUYOFTCONEX-QFBILLFUSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)CN1CCCCC1 ZINC000566106335 519302114 /nfs/dbraw/zinc/30/21/14/519302114.db2.gz MRRDUYOFTCONEX-QFBILLFUSA-N 1 3 354.922 2.929 20 0 FFADHO C[N@H+](C[C@@H](O)CNC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1CC1 ZINC000566118019 519313595 /nfs/dbraw/zinc/31/35/95/519313595.db2.gz RLSYHXNEHLJVDB-UXHICEINSA-N 1 3 365.949 2.739 20 0 FFADHO C[N@@H+](C[C@@H](O)CNC[C@H]1CCCCN1Cc1cccc(Cl)c1)C1CC1 ZINC000566118019 519313605 /nfs/dbraw/zinc/31/36/05/519313605.db2.gz RLSYHXNEHLJVDB-UXHICEINSA-N 1 3 365.949 2.739 20 0 FFADHO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000583612561 519339724 /nfs/dbraw/zinc/33/97/24/519339724.db2.gz VURSNVNSSZRDIW-GOSISDBHSA-N 1 3 360.502 2.896 20 0 FFADHO CC[NH2+]CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000574812682 519344637 /nfs/dbraw/zinc/34/46/37/519344637.db2.gz HMQATTLRZMHVQB-QGZVFWFLSA-N 1 3 357.420 2.557 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)Cn2cccn2)CC1 ZINC000574835933 519357380 /nfs/dbraw/zinc/35/73/80/519357380.db2.gz UKQLLLGGIGWUPZ-LJQANCHMSA-N 1 3 355.530 2.841 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4nccnc4c3)CC2)CC1 ZINC000580782403 519357552 /nfs/dbraw/zinc/35/75/52/519357552.db2.gz GAOSCQKWBXZZCC-UHFFFAOYSA-N 1 3 367.497 2.765 20 0 FFADHO Cn1nc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000578005104 519366116 /nfs/dbraw/zinc/36/61/16/519366116.db2.gz DUHPCVZSOQVTGX-DENIHFKCSA-N 1 3 362.477 2.961 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000580845966 519388803 /nfs/dbraw/zinc/38/88/03/519388803.db2.gz PZISVAZEJHDSAS-UHFFFAOYSA-N 1 3 372.557 2.725 20 0 FFADHO CN(C[C@@H](O)C[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)C1CC1 ZINC000572029964 519406487 /nfs/dbraw/zinc/40/64/87/519406487.db2.gz FFHZWGIPWSBYDO-LPHOPBHVSA-N 1 3 351.922 2.522 20 0 FFADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578126475 519432354 /nfs/dbraw/zinc/43/23/54/519432354.db2.gz IBZKZQAYIKSRDX-JXFKEZNVSA-N 1 3 354.498 2.894 20 0 FFADHO C[C@@H]1CC2(CN1Cc1csc(-c3ccc(C(N)=O)cc3)n1)CC[NH2+]CC2 ZINC000578135210 519437274 /nfs/dbraw/zinc/43/72/74/519437274.db2.gz VWWPMKLLLPLOFA-CQSZACIVSA-N 1 3 370.522 2.873 20 0 FFADHO Cc1cc(NC(=O)CCNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)no1 ZINC000578186733 519464029 /nfs/dbraw/zinc/46/40/29/519464029.db2.gz AAZHZUGCTUZORJ-INIZCTEOSA-N 1 3 356.470 2.549 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000583872675 519476976 /nfs/dbraw/zinc/47/69/76/519476976.db2.gz XZJFMYPCJWCVTF-YADHBBJMSA-N 1 3 369.553 2.789 20 0 FFADHO CCOc1ccc(OC[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000581066849 519507513 /nfs/dbraw/zinc/50/75/13/519507513.db2.gz YOIOZQIYGKPODA-QGZVFWFLSA-N 1 3 350.503 2.678 20 0 FFADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)C1(C)C ZINC000581070559 519508472 /nfs/dbraw/zinc/50/84/72/519508472.db2.gz WQUAFCMFWJXVFI-FRQCXROJSA-N 1 3 367.921 2.591 20 0 FFADHO CC1(C)CCN(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000583943018 519510858 /nfs/dbraw/zinc/51/08/58/519510858.db2.gz VFEGTKWXXVLNBL-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NCC1(SC)CCN(C)CC1)CC(C)C ZINC000572250969 519518896 /nfs/dbraw/zinc/51/88/96/519518896.db2.gz OLIXQOIYROSDNV-KRWDZBQOSA-N 1 3 372.623 2.870 20 0 FFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000566507872 519526507 /nfs/dbraw/zinc/52/65/07/519526507.db2.gz CJOQLFCDOCJMNG-GBESFXJTSA-N 1 3 350.551 2.671 20 0 FFADHO CN1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](c2ccccc2)C1 ZINC000569471892 519568300 /nfs/dbraw/zinc/56/83/00/519568300.db2.gz IPGGJBKMVNBWRZ-RTWAWAEBSA-N 1 3 351.494 2.618 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000584160497 519618936 /nfs/dbraw/zinc/61/89/36/519618936.db2.gz PSZGFCKUOSZLGW-TZIWHRDSSA-N 1 3 354.498 2.899 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000597444710 520033408 /nfs/dbraw/zinc/03/34/08/520033408.db2.gz QNQVUZULBMPGPE-VQTJNVASSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000597444710 520033420 /nfs/dbraw/zinc/03/34/20/520033420.db2.gz QNQVUZULBMPGPE-VQTJNVASSA-N 1 3 362.562 2.815 20 0 FFADHO COc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000594587801 520040700 /nfs/dbraw/zinc/04/07/00/520040700.db2.gz AVUGDHDOBSIXOX-UHFFFAOYSA-N 1 3 365.905 2.637 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000608642095 520060853 /nfs/dbraw/zinc/06/08/53/520060853.db2.gz QZHQELZAFKPTDU-AQNXPRMDSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000608642095 520060859 /nfs/dbraw/zinc/06/08/59/520060859.db2.gz QZHQELZAFKPTDU-AQNXPRMDSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000608642097 520061198 /nfs/dbraw/zinc/06/11/98/520061198.db2.gz QZHQELZAFKPTDU-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000608642097 520061203 /nfs/dbraw/zinc/06/12/03/520061203.db2.gz QZHQELZAFKPTDU-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000594914449 520216257 /nfs/dbraw/zinc/21/62/57/520216257.db2.gz INAWJDUJVFUOLC-HLAWJBBLSA-N 1 3 373.541 2.684 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000595025553 520260041 /nfs/dbraw/zinc/26/00/41/520260041.db2.gz LPCXTCWHKXPIHT-IBGZPJMESA-N 1 3 358.530 2.554 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000595025553 520260046 /nfs/dbraw/zinc/26/00/46/520260046.db2.gz LPCXTCWHKXPIHT-IBGZPJMESA-N 1 3 358.530 2.554 20 0 FFADHO CC(C)CN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000603897223 520397493 /nfs/dbraw/zinc/39/74/93/520397493.db2.gz HLQZBGPYJABMHS-HXUWFJFHSA-N 1 3 372.557 2.872 20 0 FFADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000592493447 520416268 /nfs/dbraw/zinc/41/62/68/520416268.db2.gz RKEZCABOAJXNCZ-QZTJIDSGSA-N 1 3 372.513 2.663 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600729379 520429093 /nfs/dbraw/zinc/42/90/93/520429093.db2.gz FQPYDWLQOXKELN-XPQZIERPSA-N 1 3 368.562 2.817 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600729379 520429094 /nfs/dbraw/zinc/42/90/94/520429094.db2.gz FQPYDWLQOXKELN-XPQZIERPSA-N 1 3 368.562 2.817 20 0 FFADHO CC(C)CN1CC[C@@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600729379 520429098 /nfs/dbraw/zinc/42/90/98/520429098.db2.gz FQPYDWLQOXKELN-XPQZIERPSA-N 1 3 368.562 2.817 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000604117406 520454635 /nfs/dbraw/zinc/45/46/35/520454635.db2.gz XJYNHZRLQSIOAP-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000617505565 520543285 /nfs/dbraw/zinc/54/32/85/520543285.db2.gz IHSWSYAFYISRLG-AWEZNQCLSA-N 1 3 364.921 2.752 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000617505565 520543288 /nfs/dbraw/zinc/54/32/88/520543288.db2.gz IHSWSYAFYISRLG-AWEZNQCLSA-N 1 3 364.921 2.752 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnccc1Oc1ccccc1 ZINC000617507905 520545649 /nfs/dbraw/zinc/54/56/49/520545649.db2.gz OHONZZRHSCOXGU-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnccc1Oc1ccccc1 ZINC000617507905 520545656 /nfs/dbraw/zinc/54/56/56/520545656.db2.gz OHONZZRHSCOXGU-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000601248796 520706855 /nfs/dbraw/zinc/70/68/55/520706855.db2.gz SHJWIXWGFSAOLN-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000601248796 520706864 /nfs/dbraw/zinc/70/68/64/520706864.db2.gz SHJWIXWGFSAOLN-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000614446104 520970655 /nfs/dbraw/zinc/97/06/55/520970655.db2.gz LWXDIYRZCMLRCH-ZHALLVOQSA-N 1 3 367.578 2.579 20 0 FFADHO C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606639260 521118491 /nfs/dbraw/zinc/11/84/91/521118491.db2.gz XCFSMSIBFPYOEW-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)C(=O)OC(C)(C)C ZINC000602694467 521483800 /nfs/dbraw/zinc/48/38/00/521483800.db2.gz NJGCZMZHDIRFGQ-MRXNPFEDSA-N 1 3 356.551 2.815 20 0 FFADHO CCOC(=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)[nH]1 ZINC000602708686 521490138 /nfs/dbraw/zinc/49/01/38/521490138.db2.gz PNVZDOPHUIXPTJ-UHFFFAOYSA-N 1 3 356.470 2.588 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000607937096 521510614 /nfs/dbraw/zinc/51/06/14/521510614.db2.gz ZVNIRNGWPPXBEZ-RTWAWAEBSA-N 1 3 370.541 2.628 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)C[NH+]1CCCCC1 ZINC000615775752 521527254 /nfs/dbraw/zinc/52/72/54/521527254.db2.gz MIMSXHRENQJFGH-LJQANCHMSA-N 1 3 372.557 2.856 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000608008185 521574039 /nfs/dbraw/zinc/57/40/39/521574039.db2.gz PTGRAWNYBOPPEW-UHFFFAOYSA-N 1 3 364.449 2.852 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCCS(=O)(=O)CC3)cc2)C1 ZINC000634953280 521832120 /nfs/dbraw/zinc/83/21/20/521832120.db2.gz WXQMPFBGRCGDJW-FXAWDEMLSA-N 1 3 364.555 2.975 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCCS(=O)(=O)CC3)cc2)C1 ZINC000634953280 521832128 /nfs/dbraw/zinc/83/21/28/521832128.db2.gz WXQMPFBGRCGDJW-FXAWDEMLSA-N 1 3 364.555 2.975 20 0 FFADHO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCS(=O)(=O)CC2)CN1Cc1ccccc1 ZINC000634973159 521846981 /nfs/dbraw/zinc/84/69/81/521846981.db2.gz SGXRQRKNPJSARA-RLLQIKCJSA-N 1 3 364.555 2.844 20 0 FFADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCS(=O)(=O)CC2)CN1Cc1ccccc1 ZINC000634973160 521847198 /nfs/dbraw/zinc/84/71/98/521847198.db2.gz SGXRQRKNPJSARA-YZGWKJHDSA-N 1 3 364.555 2.844 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635006421 521863683 /nfs/dbraw/zinc/86/36/83/521863683.db2.gz BXQQMCNGIAICPE-HNNXBMFYSA-N 1 3 373.522 2.945 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000619904953 521937653 /nfs/dbraw/zinc/93/76/53/521937653.db2.gz RUOWLXJIGKUXMT-ZWKOTPCHSA-N 1 3 365.468 2.744 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000619904953 521937663 /nfs/dbraw/zinc/93/76/63/521937663.db2.gz RUOWLXJIGKUXMT-ZWKOTPCHSA-N 1 3 365.468 2.744 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)cc(OC)c1 ZINC000623444808 522027415 /nfs/dbraw/zinc/02/74/15/522027415.db2.gz SSSLPEJVXWWUGN-ZWKOTPCHSA-N 1 3 361.530 2.741 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)cc(OC)c1 ZINC000623444808 522027423 /nfs/dbraw/zinc/02/74/23/522027423.db2.gz SSSLPEJVXWWUGN-ZWKOTPCHSA-N 1 3 361.530 2.741 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000623466511 522046470 /nfs/dbraw/zinc/04/64/70/522046470.db2.gz BJMPWYYZURYQQO-PKOBYXMFSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000623466511 522046482 /nfs/dbraw/zinc/04/64/82/522046482.db2.gz BJMPWYYZURYQQO-PKOBYXMFSA-N 1 3 350.551 2.815 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000623575875 522132312 /nfs/dbraw/zinc/13/23/12/522132312.db2.gz UAHDLXJXFNRXIN-VSKRKVRLSA-N 1 3 363.505 2.723 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000623575875 522132325 /nfs/dbraw/zinc/13/23/25/522132325.db2.gz UAHDLXJXFNRXIN-VSKRKVRLSA-N 1 3 363.505 2.723 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635350789 522174636 /nfs/dbraw/zinc/17/46/36/522174636.db2.gz OOKRJFMTKSEJGS-UHFFFAOYSA-N 1 3 355.526 2.952 20 0 FFADHO Cc1ccc2ncc(CN3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000629517024 522294926 /nfs/dbraw/zinc/29/49/26/522294926.db2.gz YDYJXMUBOKASCS-UWJYYQICSA-N 1 3 366.509 2.623 20 0 FFADHO Cc1ccc(Cl)cc1N1CC[C@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558792 522312431 /nfs/dbraw/zinc/31/24/31/522312431.db2.gz NLHYZIOVDWFLDD-SJLPKXTDSA-N 1 3 351.922 2.521 20 0 FFADHO O[C@H](CNCCCc1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000629567091 522321238 /nfs/dbraw/zinc/32/12/38/522321238.db2.gz VQWFUCSGXVBTNX-OAHLLOKOSA-N 1 3 359.283 2.567 20 0 FFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892930 522352715 /nfs/dbraw/zinc/35/27/15/522352715.db2.gz AGJGKQWNICKIRH-HKUYNNGSSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892930 522352723 /nfs/dbraw/zinc/35/27/23/522352723.db2.gz AGJGKQWNICKIRH-HKUYNNGSSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892930 522352729 /nfs/dbraw/zinc/35/27/29/522352729.db2.gz AGJGKQWNICKIRH-HKUYNNGSSA-N 1 3 367.541 2.906 20 0 FFADHO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2(N)CCOCC2)c1 ZINC000629655600 522376035 /nfs/dbraw/zinc/37/60/35/522376035.db2.gz WJIQLEBICYJKKQ-UHFFFAOYSA-N 1 3 372.513 2.911 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000632953319 522423875 /nfs/dbraw/zinc/42/38/75/522423875.db2.gz UAJNLYWRUWGGMO-HXUWFJFHSA-N 1 3 350.466 2.994 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000635714869 522470958 /nfs/dbraw/zinc/47/09/58/522470958.db2.gz FHGBFMZQHFLYRD-RTBURBONSA-N 1 3 367.497 2.610 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000635714869 522470970 /nfs/dbraw/zinc/47/09/70/522470970.db2.gz FHGBFMZQHFLYRD-RTBURBONSA-N 1 3 367.497 2.610 20 0 FFADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1OCC(=O)N(C)C ZINC000624120926 522490965 /nfs/dbraw/zinc/49/09/65/522490965.db2.gz KIKJOSVWTQSXHZ-HKUYNNGSSA-N 1 3 361.530 2.926 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000626929781 522536991 /nfs/dbraw/zinc/53/69/91/522536991.db2.gz CYHHZECPWNESOP-LJQANCHMSA-N 1 3 352.482 2.576 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC000626955272 522553520 /nfs/dbraw/zinc/55/35/20/522553520.db2.gz ZHPQWOLMZZZLLJ-FCEUIQTBSA-N 1 3 370.541 2.540 20 0 FFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000629974462 522559824 /nfs/dbraw/zinc/55/98/24/522559824.db2.gz ZEVPIANFSRWECZ-PZJWPPBQSA-N 1 3 355.526 2.984 20 0 FFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000629974462 522559832 /nfs/dbraw/zinc/55/98/32/522559832.db2.gz ZEVPIANFSRWECZ-PZJWPPBQSA-N 1 3 355.526 2.984 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)cc1 ZINC000633158197 522563588 /nfs/dbraw/zinc/56/35/88/522563588.db2.gz IXXXOTVALIZUFV-XLIONFOSSA-N 1 3 356.514 2.519 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)cc1 ZINC000633158197 522563594 /nfs/dbraw/zinc/56/35/94/522563594.db2.gz IXXXOTVALIZUFV-XLIONFOSSA-N 1 3 356.514 2.519 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCNC[C@H]2C(C)C)[NH+](C)C)cc1 ZINC000627045668 522613586 /nfs/dbraw/zinc/61/35/86/522613586.db2.gz QRKFWHJQWOWLJK-ZWKOTPCHSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000633287102 522644949 /nfs/dbraw/zinc/64/49/49/522644949.db2.gz BFDGLTWOMHWUEW-FQEVSTJZSA-N 1 3 370.541 2.885 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000624578921 522793162 /nfs/dbraw/zinc/79/31/62/522793162.db2.gz ZGAQKLKJGDQYMH-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000624578921 522793170 /nfs/dbraw/zinc/79/31/70/522793170.db2.gz ZGAQKLKJGDQYMH-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000624614335 522822930 /nfs/dbraw/zinc/82/29/30/522822930.db2.gz PINMEROZLXYYAF-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000624614335 522822942 /nfs/dbraw/zinc/82/29/42/522822942.db2.gz PINMEROZLXYYAF-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000630577882 522945242 /nfs/dbraw/zinc/94/52/42/522945242.db2.gz BEPYAGKGMKUKLR-UKRRQHHQSA-N 1 3 358.408 2.739 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000621643010 522991647 /nfs/dbraw/zinc/99/16/47/522991647.db2.gz ZSZQCQGNPNAJOA-SFHVURJKSA-N 1 3 373.541 2.803 20 0 FFADHO Cc1cccc([C@@H]2C[C@H]2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000624937474 523040801 /nfs/dbraw/zinc/04/08/01/523040801.db2.gz XPLCGZFNJIDGMI-LEWJYISDSA-N 1 3 355.526 2.773 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(CCF)CC3)CC2)CC1 ZINC000633962045 523095634 /nfs/dbraw/zinc/09/56/34/523095634.db2.gz LDPDJSGWEAUYJG-UHFFFAOYSA-N 1 3 353.526 2.781 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc2cnccc21 ZINC000625026189 523109340 /nfs/dbraw/zinc/10/93/40/523109340.db2.gz POLHNXUCKQQCNH-HXUWFJFHSA-N 1 3 368.525 2.652 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc2cnccc21 ZINC000625026189 523109351 /nfs/dbraw/zinc/10/93/51/523109351.db2.gz POLHNXUCKQQCNH-HXUWFJFHSA-N 1 3 368.525 2.652 20 0 FFADHO CN1CCC(n2cc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)cn2)CC1 ZINC000634094489 523179419 /nfs/dbraw/zinc/17/94/19/523179419.db2.gz AYYLPHHMOMRNFH-IBGZPJMESA-N 1 3 355.486 2.781 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000634133578 523204194 /nfs/dbraw/zinc/20/41/94/523204194.db2.gz OPRASQHCWOZOGK-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634133578 523204201 /nfs/dbraw/zinc/20/42/01/523204201.db2.gz OPRASQHCWOZOGK-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000631064330 523346821 /nfs/dbraw/zinc/34/68/21/523346821.db2.gz BWBIVRQINMCBEE-UHFFFAOYSA-N 1 3 367.493 2.892 20 0 FFADHO CNC(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000631196364 523451229 /nfs/dbraw/zinc/45/12/29/523451229.db2.gz QFKQWYOPOJSUBR-UTKZUKDTSA-N 1 3 351.494 2.904 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)C[C@](C)(O)C2CC2)[C@@H]1c1cccs1 ZINC000634705424 523592078 /nfs/dbraw/zinc/59/20/78/523592078.db2.gz AMBZSOCUSPTUIW-OPNNQBFTSA-N 1 3 352.544 2.633 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)C[C@](C)(O)C2CC2)[C@@H]1c1cccs1 ZINC000634705424 523592079 /nfs/dbraw/zinc/59/20/79/523592079.db2.gz AMBZSOCUSPTUIW-OPNNQBFTSA-N 1 3 352.544 2.633 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCCC[NH2+]C(C)C)N2CCCC2)c1 ZINC000637469119 523649433 /nfs/dbraw/zinc/64/94/33/523649433.db2.gz OWTBIPKENLJGCF-LJQANCHMSA-N 1 3 362.518 2.519 20 0 FFADHO CN(C)CCN(C)CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000623087807 523675188 /nfs/dbraw/zinc/67/51/88/523675188.db2.gz JCXRVHOFDBGGCY-UHFFFAOYSA-N 1 3 366.981 2.778 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000637601380 523728646 /nfs/dbraw/zinc/72/86/46/523728646.db2.gz AVLZQQLVOBDNKL-HMXCVIKNSA-N 1 3 372.557 2.738 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000637601380 523728655 /nfs/dbraw/zinc/72/86/55/523728655.db2.gz AVLZQQLVOBDNKL-HMXCVIKNSA-N 1 3 372.557 2.738 20 0 FFADHO Cc1cc(NC(=O)CC[N@@H+](C)CC2CCN(c3ccncc3)CC2)no1 ZINC000501078632 538618087 /nfs/dbraw/zinc/61/80/87/538618087.db2.gz QLJQCKRFOZCQFQ-UHFFFAOYSA-N 1 3 357.458 2.555 20 0 FFADHO Cc1cc(NC(=O)CC[N@H+](C)CC2CCN(c3ccncc3)CC2)no1 ZINC000501078632 538618099 /nfs/dbraw/zinc/61/80/99/538618099.db2.gz QLJQCKRFOZCQFQ-UHFFFAOYSA-N 1 3 357.458 2.555 20 0 FFADHO CC(C)[N@H+](C)CC1CC[NH+](Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000735856557 598715521 /nfs/dbraw/zinc/71/55/21/598715521.db2.gz KPDTXMSJMBGXQT-UHFFFAOYSA-N 1 3 367.501 2.672 20 0 FFADHO CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000735856557 598715522 /nfs/dbraw/zinc/71/55/22/598715522.db2.gz KPDTXMSJMBGXQT-UHFFFAOYSA-N 1 3 367.501 2.672 20 0 FFADHO CC(C)[N@H+](C)CC1CC[NH+](Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000735856557 598715524 /nfs/dbraw/zinc/71/55/24/598715524.db2.gz KPDTXMSJMBGXQT-UHFFFAOYSA-N 1 3 367.501 2.672 20 0 FFADHO CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000735856557 598715525 /nfs/dbraw/zinc/71/55/25/598715525.db2.gz KPDTXMSJMBGXQT-UHFFFAOYSA-N 1 3 367.501 2.672 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000821813541 599407513 /nfs/dbraw/zinc/40/75/13/599407513.db2.gz ILKFINNUALWZPV-IYBDPMFKSA-N 1 3 372.517 2.723 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000821813541 599407515 /nfs/dbraw/zinc/40/75/15/599407515.db2.gz ILKFINNUALWZPV-IYBDPMFKSA-N 1 3 372.517 2.723 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000821813541 599407516 /nfs/dbraw/zinc/40/75/16/599407516.db2.gz ILKFINNUALWZPV-IYBDPMFKSA-N 1 3 372.517 2.723 20 0 FFADHO COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000821813541 599407517 /nfs/dbraw/zinc/40/75/17/599407517.db2.gz ILKFINNUALWZPV-IYBDPMFKSA-N 1 3 372.517 2.723 20 0 FFADHO c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001164732476 720433330 /nfs/dbraw/zinc/43/33/30/720433330.db2.gz NQRVUFAOSRCXMK-LEWJYISDSA-N 1 3 363.509 2.926 20 0 FFADHO CN(C)Cc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910380 721560104 /nfs/dbraw/zinc/56/01/04/721560104.db2.gz WPUPEQCJRVNFJF-AZUAARDMSA-N 1 3 370.472 2.624 20 0 FFADHO CN(C)Cc1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910380 721560107 /nfs/dbraw/zinc/56/01/07/721560107.db2.gz WPUPEQCJRVNFJF-AZUAARDMSA-N 1 3 370.472 2.624 20 0 FFADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1CCSc2c(F)cccc21 ZINC000268852869 729695956 /nfs/dbraw/zinc/69/59/56/729695956.db2.gz PPHAWNXDDMYORU-SJORKVTESA-N 1 3 365.518 2.895 20 0 FFADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CCSc2c(F)cccc21 ZINC000268852869 729695957 /nfs/dbraw/zinc/69/59/57/729695957.db2.gz PPHAWNXDDMYORU-SJORKVTESA-N 1 3 365.518 2.895 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c2cccs2)CC1 ZINC000333886349 729812081 /nfs/dbraw/zinc/81/20/81/729812081.db2.gz FWWJCEKCGWTYEB-YESZJQIVSA-N 1 3 364.559 2.900 20 0 FFADHO Cc1nnsc1CNCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000638337287 730021638 /nfs/dbraw/zinc/02/16/38/730021638.db2.gz PSECVPPDGJFDPO-UHFFFAOYSA-N 1 3 359.543 2.847 20 0 FFADHO Cc1nnsc1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000638337287 730021639 /nfs/dbraw/zinc/02/16/39/730021639.db2.gz PSECVPPDGJFDPO-UHFFFAOYSA-N 1 3 359.543 2.847 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C[C@H]1N(C)C ZINC000857163894 730382250 /nfs/dbraw/zinc/38/22/50/730382250.db2.gz HBFTYVPOERTWIY-GUDVDZBRSA-N 1 3 361.555 2.613 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C[C@H]1N(C)C ZINC000857163894 730382252 /nfs/dbraw/zinc/38/22/52/730382252.db2.gz HBFTYVPOERTWIY-GUDVDZBRSA-N 1 3 361.555 2.613 20 0 FFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)n1 ZINC000925043366 738473359 /nfs/dbraw/zinc/47/33/59/738473359.db2.gz XFIADXRTXHHYJC-UONOGXRCSA-N 1 3 367.335 2.663 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC[C@H]1[NH3+] ZINC000647937059 730775733 /nfs/dbraw/zinc/77/57/33/730775733.db2.gz QFIBFSCYLCNUHP-TZMCWYRMSA-N 1 3 369.893 2.745 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000863552166 730790341 /nfs/dbraw/zinc/79/03/41/730790341.db2.gz PSXMNXQIIFLIEJ-ZEVUXNIQSA-N 1 3 354.535 2.712 20 0 FFADHO COc1cc(NC(=O)CC[N@@H+]2CCNCCC2(C)C)c(OC)cc1Cl ZINC000866698882 731089261 /nfs/dbraw/zinc/08/92/61/731089261.db2.gz COAJVZSFSKNMNZ-UHFFFAOYSA-N 1 3 369.893 2.760 20 0 FFADHO COc1cc(NC(=O)CC[N@H+]2CCNCCC2(C)C)c(OC)cc1Cl ZINC000866698882 731089267 /nfs/dbraw/zinc/08/92/67/731089267.db2.gz COAJVZSFSKNMNZ-UHFFFAOYSA-N 1 3 369.893 2.760 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[N@H+](CC)C2CCCCC2)C1(C)C ZINC000653200951 731247961 /nfs/dbraw/zinc/24/79/61/731247961.db2.gz VHSZOYCYFNSSRS-PXNSSMCTSA-N 1 3 353.551 2.680 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[N@@H+](CC)C2CCCCC2)C1(C)C ZINC000653200951 731247963 /nfs/dbraw/zinc/24/79/63/731247963.db2.gz VHSZOYCYFNSSRS-PXNSSMCTSA-N 1 3 353.551 2.680 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000654575910 731375351 /nfs/dbraw/zinc/37/53/51/731375351.db2.gz SLXHXSJRZUCVCM-UWWQBHOKSA-N 1 3 364.559 2.651 20 0 FFADHO CC[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000925779090 738529384 /nfs/dbraw/zinc/52/93/84/738529384.db2.gz WDMLGHLOLBKKIS-QLFBSQMISA-N 1 3 361.477 2.999 20 0 FFADHO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1OC ZINC000925782459 738529447 /nfs/dbraw/zinc/52/94/47/738529447.db2.gz LSTVOFAZRBLRLE-DZGCQCFKSA-N 1 3 358.429 2.616 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000657619219 731796019 /nfs/dbraw/zinc/79/60/19/731796019.db2.gz UILLSLSITIPKAK-SFHVURJKSA-N 1 3 353.457 2.732 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000661503907 732211948 /nfs/dbraw/zinc/21/19/48/732211948.db2.gz AEJJNLHHAPDTLB-MRXNPFEDSA-N 1 3 368.591 2.520 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000661503907 732211950 /nfs/dbraw/zinc/21/19/50/732211950.db2.gz AEJJNLHHAPDTLB-MRXNPFEDSA-N 1 3 368.591 2.520 20 0 FFADHO O=C(/C=C/[C@H]1CCC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000876743837 732275620 /nfs/dbraw/zinc/27/56/20/732275620.db2.gz NJQMASITUHWFKR-KRZKXXONSA-N 1 3 359.539 2.772 20 0 FFADHO CN(C)C[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000877131326 732327199 /nfs/dbraw/zinc/32/71/99/732327199.db2.gz ZLNSFOYFLOHMIC-MRXNPFEDSA-N 1 3 355.404 2.734 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662666792 732344125 /nfs/dbraw/zinc/34/41/25/732344125.db2.gz VSXWHHSOQIFZJI-DOMZBBRYSA-N 1 3 361.433 2.543 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000877747581 732423100 /nfs/dbraw/zinc/42/31/00/732423100.db2.gz RYPZEXJXGSJDGY-UHFFFAOYSA-N 1 3 357.420 2.797 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000664874196 732642709 /nfs/dbraw/zinc/64/27/09/732642709.db2.gz HGIZJLMQDFEJJH-BBWFWOEESA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1ccco1 ZINC000664874196 732642711 /nfs/dbraw/zinc/64/27/11/732642711.db2.gz HGIZJLMQDFEJJH-BBWFWOEESA-N 1 3 350.507 2.835 20 0 FFADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247322 732671883 /nfs/dbraw/zinc/67/18/83/732671883.db2.gz APULGLULSVGIMK-INIZCTEOSA-N 1 3 361.555 2.829 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1OC(F)F ZINC000665180460 732676250 /nfs/dbraw/zinc/67/62/50/732676250.db2.gz DNBIGIGSOGWLJQ-ZDUSSCGKSA-N 1 3 358.433 2.682 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1OC(F)F ZINC000665180460 732676253 /nfs/dbraw/zinc/67/62/53/732676253.db2.gz DNBIGIGSOGWLJQ-ZDUSSCGKSA-N 1 3 358.433 2.682 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000665757620 732752419 /nfs/dbraw/zinc/75/24/19/732752419.db2.gz QPHNFFHXDHQJEA-AZUAARDMSA-N 1 3 350.551 2.790 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000665757620 732752420 /nfs/dbraw/zinc/75/24/20/732752420.db2.gz QPHNFFHXDHQJEA-AZUAARDMSA-N 1 3 350.551 2.790 20 0 FFADHO C[C@H](CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+](C)C ZINC000665900220 732770884 /nfs/dbraw/zinc/77/08/84/732770884.db2.gz BKIXFRCRZSRRQW-MRXNPFEDSA-N 1 3 364.559 2.740 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccccc1)C(F)F ZINC000667141230 732954621 /nfs/dbraw/zinc/95/46/21/732954621.db2.gz VPQZUNTWBDHGKY-GOEBONIOSA-N 1 3 356.461 2.564 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccccc1)C(F)F ZINC000667141230 732954625 /nfs/dbraw/zinc/95/46/25/732954625.db2.gz VPQZUNTWBDHGKY-GOEBONIOSA-N 1 3 356.461 2.564 20 0 FFADHO CC[NH+](CC)CCCC1CCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000782210327 738698778 /nfs/dbraw/zinc/69/87/78/738698778.db2.gz RIESZVMMJGXBAI-UHFFFAOYSA-N 1 3 354.608 2.789 20 0 FFADHO COc1ccc2nc(CN[C@@H]3CCN(C4CC[NH+](C)CC4)C3)sc2c1 ZINC000682731339 734098127 /nfs/dbraw/zinc/09/81/27/734098127.db2.gz XPSJXPFCKVWKKI-CQSZACIVSA-N 1 3 360.527 2.563 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000891348570 734417263 /nfs/dbraw/zinc/41/72/63/734417263.db2.gz PXYJRJYBBULCAC-RANZSIQMSA-N 1 3 364.559 2.961 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727079733 734464199 /nfs/dbraw/zinc/46/41/99/734464199.db2.gz YRNDWEWDOHZLNM-UHFFFAOYSA-N 1 3 368.566 2.652 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000892919733 734622985 /nfs/dbraw/zinc/62/29/85/734622985.db2.gz SWYRULGVIVFAJF-UHFFFAOYSA-N 1 3 350.482 2.513 20 0 FFADHO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](C[C@@H](O)CN2CCCC2)CC1 ZINC000731532272 734683721 /nfs/dbraw/zinc/68/37/21/734683721.db2.gz NHWXGKYYARQANG-OALUTQOASA-N 1 3 352.906 2.542 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)[C@H]2CCC[C@H]21 ZINC000903426542 736092474 /nfs/dbraw/zinc/09/24/74/736092474.db2.gz YMDZLIGJVVJUQE-CEXWTWQISA-N 1 3 363.527 2.553 20 0 FFADHO Fc1ccc(OC2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c(F)c1 ZINC000903722503 736159347 /nfs/dbraw/zinc/15/93/47/736159347.db2.gz LWBDSNCPWUINGB-QFBILLFUSA-N 1 3 352.425 2.577 20 0 FFADHO O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903735578 736161322 /nfs/dbraw/zinc/16/13/22/736161322.db2.gz BROGETIVXSLOQU-GJZGRUSLSA-N 1 3 350.894 2.775 20 0 FFADHO O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903735576 736161378 /nfs/dbraw/zinc/16/13/78/736161378.db2.gz BROGETIVXSLOQU-CABCVRRESA-N 1 3 350.894 2.775 20 0 FFADHO Brc1cccc(OCC[N@@H+]2CCNCCC23CCOCC3)c1 ZINC000903818484 736170615 /nfs/dbraw/zinc/17/06/15/736170615.db2.gz NGURRTRSTGHVSP-UHFFFAOYSA-N 1 3 369.303 2.672 20 0 FFADHO Brc1cccc(OCC[N@H+]2CCNCCC23CCOCC3)c1 ZINC000903818484 736170621 /nfs/dbraw/zinc/17/06/21/736170621.db2.gz NGURRTRSTGHVSP-UHFFFAOYSA-N 1 3 369.303 2.672 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2ccc(Br)cc2)cnn1C ZINC000903878803 736182091 /nfs/dbraw/zinc/18/20/91/736182091.db2.gz ZOOYYLWDJJEHAU-HNNXBMFYSA-N 1 3 365.319 2.740 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968335 736196457 /nfs/dbraw/zinc/19/64/57/736196457.db2.gz SXUWYKQKPNLCQN-UPJWGTAASA-N 1 3 359.392 2.747 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(Cc3cccc4nsnc43)CC2)CC1 ZINC000755242503 736243701 /nfs/dbraw/zinc/24/37/01/736243701.db2.gz QVUXLMUXVWWBQA-UHFFFAOYSA-N 1 3 359.543 2.541 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3F)C2)[C@@H]1C(C)C ZINC000922395696 738137407 /nfs/dbraw/zinc/13/74/07/738137407.db2.gz YPNUGCTZQIFEIV-ZRNYENFQSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3F)C2)[C@@H]1C(C)C ZINC000922395696 738137409 /nfs/dbraw/zinc/13/74/09/738137409.db2.gz YPNUGCTZQIFEIV-ZRNYENFQSA-N 1 3 350.478 2.794 20 0 FFADHO CC(C)COC[C@@H](O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923342822 738274189 /nfs/dbraw/zinc/27/41/89/738274189.db2.gz RERBMSBAWCLYLD-ZWKOTPCHSA-N 1 3 352.544 2.726 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796676550 740170244 /nfs/dbraw/zinc/17/02/44/740170244.db2.gz FRTAABJGPQYCML-YESZJQIVSA-N 1 3 357.539 2.625 20 0 FFADHO C[NH+]1CCC2(CCCN(CC(=O)NCCc3ccc(Cl)cc3)C2)CC1 ZINC000799178274 740397259 /nfs/dbraw/zinc/39/72/59/740397259.db2.gz JTOOZPAOZAGLCV-UHFFFAOYSA-N 1 3 363.933 2.807 20 0 FFADHO O=S(=O)(CCN1CCC[C@H](C2CC2)C1)CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776818 741259525 /nfs/dbraw/zinc/25/95/25/741259525.db2.gz OGXMPTCOMAXGHX-BGYRXZFFSA-N 1 3 368.587 2.645 20 0 FFADHO O=S(=O)(CCN1CCC[C@H](C2CC2)C1)CC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776818 741259529 /nfs/dbraw/zinc/25/95/29/741259529.db2.gz OGXMPTCOMAXGHX-BGYRXZFFSA-N 1 3 368.587 2.645 20 0 FFADHO O=S(=O)(CCN1CCC[C@@H](C2CC2)C1)CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808776818 741259535 /nfs/dbraw/zinc/25/95/35/741259535.db2.gz OGXMPTCOMAXGHX-BGYRXZFFSA-N 1 3 368.587 2.645 20 0 FFADHO O=S(=O)(CCN1CCC[C@@H](C2CC2)C1)CC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000808776818 741259539 /nfs/dbraw/zinc/25/95/39/741259539.db2.gz OGXMPTCOMAXGHX-BGYRXZFFSA-N 1 3 368.587 2.645 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3scnc3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995840212 741962972 /nfs/dbraw/zinc/96/29/72/741962972.db2.gz MSZGGGPSLMIXCZ-UXLLHSPISA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3scnc3C)C(C)(C)C2)CC[N@H+]1C ZINC000995840212 741962976 /nfs/dbraw/zinc/96/29/76/741962976.db2.gz MSZGGGPSLMIXCZ-UXLLHSPISA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC001002860662 742177466 /nfs/dbraw/zinc/17/74/66/742177466.db2.gz OYGIMUDQLFTUCI-CRAIPNDOSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001002860662 742177469 /nfs/dbraw/zinc/17/74/69/742177469.db2.gz OYGIMUDQLFTUCI-CRAIPNDOSA-N 1 3 363.933 2.803 20 0 FFADHO Cc1nc2cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc2s1 ZINC000822471123 742739071 /nfs/dbraw/zinc/73/90/71/742739071.db2.gz LXVUHGRLJHSMMB-ZDUSSCGKSA-N 1 3 363.531 2.998 20 0 FFADHO Cc1nc2cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc2s1 ZINC000822471123 742739074 /nfs/dbraw/zinc/73/90/74/742739074.db2.gz LXVUHGRLJHSMMB-ZDUSSCGKSA-N 1 3 363.531 2.998 20 0 FFADHO Cc1cnc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001029102238 742805790 /nfs/dbraw/zinc/80/57/90/742805790.db2.gz WUUYLJNGAZLPBE-ZMSDIMECSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cnc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001029102238 742805797 /nfs/dbraw/zinc/80/57/97/742805797.db2.gz WUUYLJNGAZLPBE-ZMSDIMECSA-N 1 3 364.559 2.508 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000824818922 743154667 /nfs/dbraw/zinc/15/46/67/743154667.db2.gz KVVGOZQJIMOEGM-CYBMUJFWSA-N 1 3 362.345 2.635 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(C/C=C\Cl)C3)C2)CC[N@@H+]1C ZINC001045938440 743309441 /nfs/dbraw/zinc/30/94/41/743309441.db2.gz BDHFHBYCOHWRKW-QZTJNKDNSA-N 1 3 353.938 2.784 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@]3(CCN(C/C=C\Cl)C3)C2)CC[N@H+]1C ZINC001045938440 743309447 /nfs/dbraw/zinc/30/94/47/743309447.db2.gz BDHFHBYCOHWRKW-QZTJNKDNSA-N 1 3 353.938 2.784 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000830131702 745312830 /nfs/dbraw/zinc/31/28/30/745312830.db2.gz ZPEQFOCFIWAEPV-SJORKVTESA-N 1 3 364.921 2.910 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841283038 747312835 /nfs/dbraw/zinc/31/28/35/747312835.db2.gz PFXJGXBOSRKZIQ-UHFFFAOYSA-N 1 3 362.499 2.681 20 0 FFADHO CCN1C[C@H](C[N@H+](C)C[C@H]2CCN(Cc3ccc(C)s3)C2)OC1=O ZINC000846895516 748569219 /nfs/dbraw/zinc/56/92/19/748569219.db2.gz OUNAVYOIZPRMJJ-CVEARBPZSA-N 1 3 351.516 2.651 20 0 FFADHO CCN1C[C@H](C[N@@H+](C)C[C@H]2CCN(Cc3ccc(C)s3)C2)OC1=O ZINC000846895516 748569222 /nfs/dbraw/zinc/56/92/22/748569222.db2.gz OUNAVYOIZPRMJJ-CVEARBPZSA-N 1 3 351.516 2.651 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3n[nH]c(C)c3Cl)CC2)CC1 ZINC000848376383 748915957 /nfs/dbraw/zinc/91/59/57/748915957.db2.gz UGYXWANMVLWCRW-UHFFFAOYSA-N 1 3 353.898 2.506 20 0 FFADHO O[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000848533339 748952507 /nfs/dbraw/zinc/95/25/07/748952507.db2.gz JUGOMAMUNVUDFJ-XJKSGUPXSA-N 1 3 359.297 2.870 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@](C)(CO)OC)cc1CN1CCCCC1 ZINC000848559608 748960896 /nfs/dbraw/zinc/96/08/96/748960896.db2.gz SNTATMDMVDPHIL-JXFKEZNVSA-N 1 3 350.503 2.729 20 0 FFADHO CCOC(=O)NC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000850442740 749365737 /nfs/dbraw/zinc/36/57/37/749365737.db2.gz HEWVHTPKQRWMHJ-MRLCAUJQSA-N 1 3 355.523 2.523 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852838773 749963460 /nfs/dbraw/zinc/96/34/60/749963460.db2.gz OFLIZIGKNHXTGG-ZFWWWQNUSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852838773 749963467 /nfs/dbraw/zinc/96/34/67/749963467.db2.gz OFLIZIGKNHXTGG-ZFWWWQNUSA-N 1 3 352.910 2.670 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000895600497 970770753 /nfs/dbraw/zinc/77/07/53/970770753.db2.gz RMUMOGZOVKHHST-FQEVSTJZSA-N 1 3 361.530 2.971 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC[C@H](C)O)C1 ZINC001104803172 970860415 /nfs/dbraw/zinc/86/04/15/970860415.db2.gz QBJSSEWFNOBCSN-HSALFYBXSA-N 1 3 369.594 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2cccc(OC)c2C)CC[N@@H+]1C ZINC001275834949 1013054812 /nfs/dbraw/zinc/05/48/12/1013054812.db2.gz JCRAGBWDOPTHSX-AYOQOUSVSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2cccc(OC)c2C)CC[N@H+]1C ZINC001275834949 1013054832 /nfs/dbraw/zinc/05/48/32/1013054832.db2.gz JCRAGBWDOPTHSX-AYOQOUSVSA-N 1 3 361.530 2.670 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cccc(F)c2F)C1 ZINC001104872492 971065974 /nfs/dbraw/zinc/06/59/74/971065974.db2.gz KTRZEBKHCMQGFX-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2cccc(F)c2F)C1 ZINC001104872492 971065981 /nfs/dbraw/zinc/06/59/81/971065981.db2.gz KTRZEBKHCMQGFX-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1 ZINC001087909038 971070167 /nfs/dbraw/zinc/07/01/67/971070167.db2.gz WGNKGMWGZVQMPK-HSALFYBXSA-N 1 3 359.489 2.531 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1 ZINC001087909038 971070171 /nfs/dbraw/zinc/07/01/71/971070171.db2.gz WGNKGMWGZVQMPK-HSALFYBXSA-N 1 3 359.489 2.531 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001087908995 971071223 /nfs/dbraw/zinc/07/12/23/971071223.db2.gz UZWHPEYNEHQFQA-NPUCIRDDSA-N 1 3 353.510 2.574 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001087908995 971071233 /nfs/dbraw/zinc/07/12/33/971071233.db2.gz UZWHPEYNEHQFQA-NPUCIRDDSA-N 1 3 353.510 2.574 20 0 FFADHO CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H](C)c3c[nH]nc3C)CC2)cc1 ZINC000651437168 971523306 /nfs/dbraw/zinc/52/33/06/971523306.db2.gz BXAVEKPIALCJAE-AWEZNQCLSA-N 1 3 355.486 2.992 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993208 971737462 /nfs/dbraw/zinc/73/74/62/971737462.db2.gz FCHZIZFGZRFTIE-RZUBCFFCSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993208 971737464 /nfs/dbraw/zinc/73/74/64/971737464.db2.gz FCHZIZFGZRFTIE-RZUBCFFCSA-N 1 3 369.553 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088010758 971843051 /nfs/dbraw/zinc/84/30/51/971843051.db2.gz JBUBWDUAHHWRHA-YUCBDZPESA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088010758 971843056 /nfs/dbraw/zinc/84/30/56/971843056.db2.gz JBUBWDUAHHWRHA-YUCBDZPESA-N 1 3 355.526 2.820 20 0 FFADHO O=C(N1C[C@H]2CCN(Cc3ccc(F)cc3)C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001088026364 971916768 /nfs/dbraw/zinc/91/67/68/971916768.db2.gz GHIFROMAVBQSHU-MOPGFXCFSA-N 1 3 371.500 2.734 20 0 FFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+]2CCC(C)(C)c2ccccc2)C1=O ZINC001275893447 1013151010 /nfs/dbraw/zinc/15/10/10/1013151010.db2.gz GVWBZKORDBJPDR-JOCHJYFZSA-N 1 3 357.542 2.983 20 0 FFADHO CN(C)CCN1CC[C@]2(CCC[N@H+]2CCC(C)(C)c2ccccc2)C1=O ZINC001275893447 1013151018 /nfs/dbraw/zinc/15/10/18/1013151018.db2.gz GVWBZKORDBJPDR-JOCHJYFZSA-N 1 3 357.542 2.983 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3c(C)noc3C)CC2)CC1 ZINC000654790437 958948544 /nfs/dbraw/zinc/94/85/44/958948544.db2.gz VHSWJEXOMSVQHU-AWEZNQCLSA-N 1 3 362.518 2.665 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](OC(C)(C)C)C3)CC2)CC1 ZINC000655309996 959729688 /nfs/dbraw/zinc/72/96/88/959729688.db2.gz NJCPYOWPACWTEB-UAPYVXQJSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC=C(Cl)Cl ZINC001104287513 961820200 /nfs/dbraw/zinc/82/02/00/961820200.db2.gz GNBXTRMGESNMKV-ZIAGYGMSSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000656197554 962663635 /nfs/dbraw/zinc/66/36/35/962663635.db2.gz DZDYTBGEWRKHOH-XSLAUPDRSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000656197554 962663649 /nfs/dbraw/zinc/66/36/49/962663649.db2.gz DZDYTBGEWRKHOH-XSLAUPDRSA-N 1 3 370.541 2.918 20 0 FFADHO Cc1nc(C)c(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCN2C)s1 ZINC001087134827 963075006 /nfs/dbraw/zinc/07/50/06/963075006.db2.gz HOOOQDCSNIIDJR-COXVUDFISA-N 1 3 364.559 2.571 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCN2C)cc1F ZINC001087134724 963077731 /nfs/dbraw/zinc/07/77/31/963077731.db2.gz CZOHPCLRQZOQEA-BPAFIMBUSA-N 1 3 361.505 2.945 20 0 FFADHO COc1cc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)ccc1SC ZINC000873219349 1013432094 /nfs/dbraw/zinc/43/20/94/1013432094.db2.gz YHJJPGHUEZLYNT-UHFFFAOYSA-N 1 3 369.494 2.746 20 0 FFADHO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218578 1013432385 /nfs/dbraw/zinc/43/23/85/1013432385.db2.gz KIKUNHZBMQOTIZ-OAHLLOKOSA-N 1 3 353.445 2.976 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)C12CCCC2 ZINC000873243483 1013442660 /nfs/dbraw/zinc/44/26/60/1013442660.db2.gz LVXQHZRFCSGFHD-RBUKOAKNSA-N 1 3 355.486 2.553 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000891392196 963814907 /nfs/dbraw/zinc/81/49/07/963814907.db2.gz DTUOSVLPYPFHPM-LJQANCHMSA-N 1 3 356.514 2.703 20 0 FFADHO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028451 963889040 /nfs/dbraw/zinc/88/90/40/963889040.db2.gz DQATWXNUNBUNCQ-GOSISDBHSA-N 1 3 373.541 2.807 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000664294871 964055603 /nfs/dbraw/zinc/05/56/03/964055603.db2.gz IZVPRFRFISJVMN-UHFFFAOYSA-N 1 3 374.529 2.761 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@H]2Cc3ccc(F)cc32)(N2CCCCC2)CC1 ZINC000684449682 964603068 /nfs/dbraw/zinc/60/30/68/964603068.db2.gz KYZVFINQYRCOIT-IBGZPJMESA-N 1 3 359.489 2.532 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000664608896 964764041 /nfs/dbraw/zinc/76/40/41/964764041.db2.gz QCSYDKHHYGTZLO-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000664608896 964764059 /nfs/dbraw/zinc/76/40/59/964764059.db2.gz QCSYDKHHYGTZLO-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC001167558280 966341483 /nfs/dbraw/zinc/34/14/83/966341483.db2.gz LAAUOHHQPQCDRV-CMKODMSKSA-N 1 3 354.535 2.525 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC001167558280 966341491 /nfs/dbraw/zinc/34/14/91/966341491.db2.gz LAAUOHHQPQCDRV-CMKODMSKSA-N 1 3 354.535 2.525 20 0 FFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC001167558280 966341501 /nfs/dbraw/zinc/34/15/01/966341501.db2.gz LAAUOHHQPQCDRV-CMKODMSKSA-N 1 3 354.535 2.525 20 0 FFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@]2(O)CCCC[C@H]2CC(=O)OCC)C1 ZINC001167558280 966341508 /nfs/dbraw/zinc/34/15/08/966341508.db2.gz LAAUOHHQPQCDRV-CMKODMSKSA-N 1 3 354.535 2.525 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C[C@@H](C)O1 ZINC001176262733 1013672707 /nfs/dbraw/zinc/67/27/07/1013672707.db2.gz NMRJELVHBBGWPE-CZAYHTPWSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C[C@@H](C)O1 ZINC001176262733 1013672711 /nfs/dbraw/zinc/67/27/11/1013672711.db2.gz NMRJELVHBBGWPE-CZAYHTPWSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C[C@@H](C)O1 ZINC001176262733 1013672714 /nfs/dbraw/zinc/67/27/14/1013672714.db2.gz NMRJELVHBBGWPE-CZAYHTPWSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C[C@@H](C)O1 ZINC001176262733 1013672717 /nfs/dbraw/zinc/67/27/17/1013672717.db2.gz NMRJELVHBBGWPE-CZAYHTPWSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](CNCc2ccns2)C1 ZINC001087222744 966926243 /nfs/dbraw/zinc/92/62/43/966926243.db2.gz QYEUXGRRCYRZCJ-WBVHZDCISA-N 1 3 364.559 2.592 20 0 FFADHO CCc1nn(C)c(CC)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613623 966963049 /nfs/dbraw/zinc/96/30/49/966963049.db2.gz OKJKOBKWLHUJMH-UHFFFAOYSA-N 1 3 355.530 2.942 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)CC1 ZINC000639044995 967356981 /nfs/dbraw/zinc/35/69/81/967356981.db2.gz SKKAICZKDPDYDV-NRFANRHFSA-N 1 3 370.585 2.862 20 0 FFADHO CCc1nn(C)cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000092371309 967374434 /nfs/dbraw/zinc/37/44/34/967374434.db2.gz BAJQLUILGKMPEZ-UHFFFAOYSA-N 1 3 369.557 2.670 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@@H+]1CCc1c(F)cccc1F ZINC001087523073 967634188 /nfs/dbraw/zinc/63/41/88/967634188.db2.gz IMHAQOIIIXHQBB-OTWHNJEPSA-N 1 3 365.468 2.571 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@H+]1CCc1c(F)cccc1F ZINC001087523073 967634200 /nfs/dbraw/zinc/63/42/00/967634200.db2.gz IMHAQOIIIXHQBB-OTWHNJEPSA-N 1 3 365.468 2.571 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@@H+]1CCc1c(F)cccc1F ZINC001087523072 967634626 /nfs/dbraw/zinc/63/46/26/967634626.db2.gz IMHAQOIIIXHQBB-IPMKNSEASA-N 1 3 365.468 2.571 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@H+]1CCc1c(F)cccc1F ZINC001087523072 967634629 /nfs/dbraw/zinc/63/46/29/967634629.db2.gz IMHAQOIIIXHQBB-IPMKNSEASA-N 1 3 365.468 2.571 20 0 FFADHO COCCOCCOCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168014139 968015133 /nfs/dbraw/zinc/01/51/33/968015133.db2.gz KJVNAZFCXQIRTN-CEQLMSFQSA-N 1 3 364.530 2.697 20 0 FFADHO COCCOCCOCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168014139 968015144 /nfs/dbraw/zinc/01/51/44/968015144.db2.gz KJVNAZFCXQIRTN-CEQLMSFQSA-N 1 3 364.530 2.697 20 0 FFADHO COC1([C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1 ZINC000657917574 968335829 /nfs/dbraw/zinc/33/58/29/968335829.db2.gz BDRAYGIYYDQXMU-QGZVFWFLSA-N 1 3 359.514 2.559 20 0 FFADHO C[C@@H](N[C@H]1Cc2ccccc2N(C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000658111281 968533809 /nfs/dbraw/zinc/53/38/09/968533809.db2.gz NJCNZNINTPQXIZ-UZLBHIALSA-N 1 3 367.493 2.865 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000658162205 968564219 /nfs/dbraw/zinc/56/42/19/968564219.db2.gz CGXDXBJBPVAGQO-QGZVFWFLSA-N 1 3 354.498 2.918 20 0 FFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000892433133 968666069 /nfs/dbraw/zinc/66/60/69/968666069.db2.gz YXDVHBAMGTWMEF-UXHICEINSA-N 1 3 362.562 2.909 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@@H+]1CC1CCOCC1 ZINC001087749582 968889076 /nfs/dbraw/zinc/88/90/76/968889076.db2.gz QHYNYYOINNUWPD-YSIASYRMSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@H+]1CC1CCOCC1 ZINC001087749582 968889083 /nfs/dbraw/zinc/88/90/83/968889083.db2.gz QHYNYYOINNUWPD-YSIASYRMSA-N 1 3 365.562 2.647 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000647492522 969230758 /nfs/dbraw/zinc/23/07/58/969230758.db2.gz HHAUZQWAFWUKQR-UHFFFAOYSA-N 1 3 357.473 2.742 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001267559140 969430061 /nfs/dbraw/zinc/43/00/61/969430061.db2.gz OFQJLWNRQOWIEO-IMFGXOCKSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(Cc3ccccc3F)C2)CC[N@H+]1C ZINC001267559140 969430068 /nfs/dbraw/zinc/43/00/68/969430068.db2.gz OFQJLWNRQOWIEO-IMFGXOCKSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033932 969642935 /nfs/dbraw/zinc/64/29/35/969642935.db2.gz ZWAMKUGWLFCMJC-AXVVYFOYSA-N 1 3 374.529 2.835 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033932 969642939 /nfs/dbraw/zinc/64/29/39/969642939.db2.gz ZWAMKUGWLFCMJC-AXVVYFOYSA-N 1 3 374.529 2.835 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033098 969650285 /nfs/dbraw/zinc/65/02/85/969650285.db2.gz HZNHYSTXECKISK-RTBURBONSA-N 1 3 360.502 2.734 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033098 969650287 /nfs/dbraw/zinc/65/02/87/969650287.db2.gz HZNHYSTXECKISK-RTBURBONSA-N 1 3 360.502 2.734 20 0 FFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cc21 ZINC000659363804 969869073 /nfs/dbraw/zinc/86/90/73/969869073.db2.gz AIHXMXKKRXJVGP-RXVVDRJESA-N 1 3 365.477 2.978 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000659426914 969917431 /nfs/dbraw/zinc/91/74/31/969917431.db2.gz GZPBGFNOWZZWEH-RTWAWAEBSA-N 1 3 372.557 2.581 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000659426866 969917485 /nfs/dbraw/zinc/91/74/85/969917485.db2.gz FVWGXVQWWQAOGY-LEWJYISDSA-N 1 3 372.557 2.581 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659613093 970076699 /nfs/dbraw/zinc/07/66/99/970076699.db2.gz YFFINJCSCPLABH-NLWGTHIKSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659613093 970076706 /nfs/dbraw/zinc/07/67/06/970076706.db2.gz YFFINJCSCPLABH-NLWGTHIKSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H]1C ZINC000659613091 970077151 /nfs/dbraw/zinc/07/71/51/970077151.db2.gz YFFINJCSCPLABH-BJLQDIEVSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]1C ZINC000659613091 970077156 /nfs/dbraw/zinc/07/71/56/970077156.db2.gz YFFINJCSCPLABH-BJLQDIEVSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000650982145 970102618 /nfs/dbraw/zinc/10/26/18/970102618.db2.gz LKYWVAYEJOKJNZ-GOSISDBHSA-N 1 3 373.545 2.734 20 0 FFADHO CCc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001104732028 970192428 /nfs/dbraw/zinc/19/24/28/970192428.db2.gz JPXPMTULQNJBRD-VQIMIIECSA-N 1 3 354.498 2.789 20 0 FFADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)cc1 ZINC001104732035 970192532 /nfs/dbraw/zinc/19/25/32/970192532.db2.gz KFYVONMDKMLJDZ-BFYDXBDKSA-N 1 3 358.461 2.927 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(Cc3ccc(F)cc3)C[C@H]2C1)[NH+](C)C ZINC001088095381 972735427 /nfs/dbraw/zinc/73/54/27/972735427.db2.gz LAUIBLPLGYCKLY-WSTZPKSXSA-N 1 3 361.505 2.692 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)cs1 ZINC001088105876 972819467 /nfs/dbraw/zinc/81/94/67/972819467.db2.gz GCIMEIDZAQFIER-IPELMVKDSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)cs1 ZINC001088105876 972819477 /nfs/dbraw/zinc/81/94/77/972819477.db2.gz GCIMEIDZAQFIER-IPELMVKDSA-N 1 3 361.555 2.821 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001088129418 972973618 /nfs/dbraw/zinc/97/36/18/972973618.db2.gz MYGXJFZSGFKMHR-NRSPTQNISA-N 1 3 370.541 2.626 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccsc4)CC[C@@H]3C2)CC1 ZINC001088150675 973173127 /nfs/dbraw/zinc/17/31/27/973173127.db2.gz QHXQJPXCAMLGQU-MOPGFXCFSA-N 1 3 361.555 2.760 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccsc4)CC[C@@H]3C2)CC1 ZINC001088150675 973173133 /nfs/dbraw/zinc/17/31/33/973173133.db2.gz QHXQJPXCAMLGQU-MOPGFXCFSA-N 1 3 361.555 2.760 20 0 FFADHO CN1CC[C@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC000660958564 973232115 /nfs/dbraw/zinc/23/21/15/973232115.db2.gz JJMZDAHWMJTZOU-LEWJYISDSA-N 1 3 370.541 2.853 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661100789 973578952 /nfs/dbraw/zinc/57/89/52/973578952.db2.gz WGOAADDCOZGTCP-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661100789 973578965 /nfs/dbraw/zinc/57/89/65/973578965.db2.gz WGOAADDCOZGTCP-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088212556 973697011 /nfs/dbraw/zinc/69/70/11/973697011.db2.gz XSOYKVHAGJNONF-SCTDSRPQSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088212556 973697017 /nfs/dbraw/zinc/69/70/17/973697017.db2.gz XSOYKVHAGJNONF-SCTDSRPQSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000665639331 973786965 /nfs/dbraw/zinc/78/69/65/973786965.db2.gz VGPHTNKEPLAALD-LPHOPBHVSA-N 1 3 364.509 2.944 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000665639331 973786978 /nfs/dbraw/zinc/78/69/78/973786978.db2.gz VGPHTNKEPLAALD-LPHOPBHVSA-N 1 3 364.509 2.944 20 0 FFADHO C[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)CC1 ZINC001211666942 974154091 /nfs/dbraw/zinc/15/40/91/974154091.db2.gz PGKDMJHGOUAWEW-XYCCBJPKSA-N 1 3 361.917 2.665 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001029742790 974186937 /nfs/dbraw/zinc/18/69/37/974186937.db2.gz ZFCXRHLKEGIUJC-IMFGXOCKSA-N 1 3 361.505 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)Cc3ccccc3F)C2)CC[N@H+]1C ZINC001029742790 974186943 /nfs/dbraw/zinc/18/69/43/974186943.db2.gz ZFCXRHLKEGIUJC-IMFGXOCKSA-N 1 3 361.505 2.836 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)ccc21 ZINC000662838713 974293203 /nfs/dbraw/zinc/29/32/03/974293203.db2.gz NNIUYFXZQJCPLI-UYAOXDASSA-N 1 3 354.498 2.737 20 0 FFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027416881 974396250 /nfs/dbraw/zinc/39/62/50/974396250.db2.gz OFKQAUOWYDPLKB-NSISKUIASA-N 1 3 361.505 2.897 20 0 FFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027416881 974396256 /nfs/dbraw/zinc/39/62/56/974396256.db2.gz OFKQAUOWYDPLKB-NSISKUIASA-N 1 3 361.505 2.897 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000661507325 974412046 /nfs/dbraw/zinc/41/20/46/974412046.db2.gz KTZKKZBINOQJLW-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000661507325 974412049 /nfs/dbraw/zinc/41/20/49/974412049.db2.gz KTZKKZBINOQJLW-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000652193057 974691981 /nfs/dbraw/zinc/69/19/81/974691981.db2.gz UJBHQWBHVHIWAG-UTKZUKDTSA-N 1 3 366.509 2.868 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nncnn2)cc1 ZINC000652308005 974805690 /nfs/dbraw/zinc/80/56/90/974805690.db2.gz WIJSTIPCPFTRGT-DYESRHJHSA-N 1 3 374.492 2.934 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nncnn2)cc1 ZINC000652308005 974805694 /nfs/dbraw/zinc/80/56/94/974805694.db2.gz WIJSTIPCPFTRGT-DYESRHJHSA-N 1 3 374.492 2.934 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000661955294 975012530 /nfs/dbraw/zinc/01/25/30/975012530.db2.gz FMLIUHMBCFFGOI-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000661955294 975012536 /nfs/dbraw/zinc/01/25/36/975012536.db2.gz FMLIUHMBCFFGOI-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291665 975407610 /nfs/dbraw/zinc/40/76/10/975407610.db2.gz XBWXEJCXMSVEMJ-LPHOPBHVSA-N 1 3 361.505 2.884 20 0 FFADHO CC[N@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000653200599 1014260856 /nfs/dbraw/zinc/26/08/56/1014260856.db2.gz KDBUILMAASKRJO-LVCYWYKZSA-N 1 3 365.562 2.680 20 0 FFADHO CC[N@@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000653200599 1014260866 /nfs/dbraw/zinc/26/08/66/1014260866.db2.gz KDBUILMAASKRJO-LVCYWYKZSA-N 1 3 365.562 2.680 20 0 FFADHO C[C@@H](F)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530258 975509494 /nfs/dbraw/zinc/50/94/94/975509494.db2.gz MBUNMGRIROTQLW-UWVAXJGDSA-N 1 3 353.526 2.685 20 0 FFADHO CC(C)[C@H](CNC(=O)Nc1cnc2c(c1)CNCC2)[NH+]1CCC(C)CC1 ZINC000667792448 977035796 /nfs/dbraw/zinc/03/57/96/977035796.db2.gz ZJVCJNIFBQSGKQ-IBGZPJMESA-N 1 3 359.518 2.605 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667793992 977049713 /nfs/dbraw/zinc/04/97/13/977049713.db2.gz UYFPWZWIKBOWCV-UHFFFAOYSA-N 1 3 367.497 2.889 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667793992 977049724 /nfs/dbraw/zinc/04/97/24/977049724.db2.gz UYFPWZWIKBOWCV-UHFFFAOYSA-N 1 3 367.497 2.889 20 0 FFADHO COC(=O)c1cccc(-c2ccc(NC(=N)NCCCC[NH3+])nc2C)c1 ZINC001167880589 977188500 /nfs/dbraw/zinc/18/85/00/977188500.db2.gz QIEKHFLVTXGXHV-UHFFFAOYSA-N 1 3 355.442 2.519 20 0 FFADHO CCCN1C[C@@H]2C[N@H+](C3CCN(C(=O)c4cccc(OC)c4)CC3)C[C@@H]2C1 ZINC001167888317 977298027 /nfs/dbraw/zinc/29/80/27/977298027.db2.gz RUPYUOLQAZIGRD-KDURUIRLSA-N 1 3 371.525 2.573 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+](C3CCN(C(=O)c4cccc(OC)c4)CC3)C[C@@H]2C1 ZINC001167888317 977298036 /nfs/dbraw/zinc/29/80/36/977298036.db2.gz RUPYUOLQAZIGRD-KDURUIRLSA-N 1 3 371.525 2.573 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)[C@@H]1c1ccccc1 ZINC000893878393 977580055 /nfs/dbraw/zinc/58/00/55/977580055.db2.gz QPUVVIIZNAXUNZ-UXHICEINSA-N 1 3 356.514 2.748 20 0 FFADHO Cc1noc2ncc(CN3CCC(N4CC[NH+](C(C)C)CC4)CC3)cc12 ZINC000894084632 977654203 /nfs/dbraw/zinc/65/42/03/977654203.db2.gz LWNZOPMUOUAJLZ-UHFFFAOYSA-N 1 3 357.502 2.522 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876902163 1014415560 /nfs/dbraw/zinc/41/55/60/1014415560.db2.gz AMHJJPXDCXNJHD-SJNFWXFCSA-N 1 3 357.498 2.504 20 0 FFADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248991673 977900877 /nfs/dbraw/zinc/90/08/77/977900877.db2.gz NQJACAFRJXUGAU-AKBNIOSXSA-N 1 3 367.534 2.962 20 0 FFADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248991673 977900885 /nfs/dbraw/zinc/90/08/85/977900885.db2.gz NQJACAFRJXUGAU-AKBNIOSXSA-N 1 3 367.534 2.962 20 0 FFADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248991673 977900888 /nfs/dbraw/zinc/90/08/88/977900888.db2.gz NQJACAFRJXUGAU-AKBNIOSXSA-N 1 3 367.534 2.962 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc(C)c(OC)c2)CC[N@@H+]1C ZINC001268732011 978380432 /nfs/dbraw/zinc/38/04/32/978380432.db2.gz SPCRFSXRNIDAKI-NZSAHSFTSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc(C)c(OC)c2)CC[N@H+]1C ZINC001268732011 978380435 /nfs/dbraw/zinc/38/04/35/978380435.db2.gz SPCRFSXRNIDAKI-NZSAHSFTSA-N 1 3 361.530 2.670 20 0 FFADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001268760101 978389944 /nfs/dbraw/zinc/38/99/44/978389944.db2.gz RMGUSHMMZNDGTN-AYBZRNKSSA-N 1 3 367.484 2.812 20 0 FFADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001268760101 978389951 /nfs/dbraw/zinc/38/99/51/978389951.db2.gz RMGUSHMMZNDGTN-AYBZRNKSSA-N 1 3 367.484 2.812 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2cccc(F)c2F)C(C)C)CC[N@@H+]1C ZINC001482532144 979114989 /nfs/dbraw/zinc/11/49/89/979114989.db2.gz QHCZTHOPMYEUEY-CGTJXYLNSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2cccc(F)c2F)C(C)C)CC[N@H+]1C ZINC001482532144 979114992 /nfs/dbraw/zinc/11/49/92/979114992.db2.gz QHCZTHOPMYEUEY-CGTJXYLNSA-N 1 3 367.484 2.926 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]32)C1 ZINC001076244402 979277816 /nfs/dbraw/zinc/27/78/16/979277816.db2.gz RDSDCGONWFGKHU-QKLQHJQFSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)C1 ZINC001076244402 979277822 /nfs/dbraw/zinc/27/78/22/979277822.db2.gz RDSDCGONWFGKHU-QKLQHJQFSA-N 1 3 351.510 2.532 20 0 FFADHO Cc1cncc(CN2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000968866374 1014601251 /nfs/dbraw/zinc/60/12/51/1014601251.db2.gz GRSHZWITFSSJAX-MISYRCLQSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cncc(CN2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000968866374 1014601257 /nfs/dbraw/zinc/60/12/57/1014601257.db2.gz GRSHZWITFSSJAX-MISYRCLQSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CCC[C@@H]1C[NH3+] ZINC001205992607 1032097896 /nfs/dbraw/zinc/09/78/96/1032097896.db2.gz FUDIWAZNLFYFEJ-WCQYABFASA-N 1 3 355.276 2.985 20 0 FFADHO C[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CCC[C@H]1C[NH3+] ZINC001205992608 1032099074 /nfs/dbraw/zinc/09/90/74/1032099074.db2.gz FUDIWAZNLFYFEJ-YPMHNXCESA-N 1 3 355.276 2.985 20 0 FFADHO Cc1cnccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211915371 980877718 /nfs/dbraw/zinc/87/77/18/980877718.db2.gz IDCRIGQXDFGUHQ-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cnccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211915371 980877722 /nfs/dbraw/zinc/87/77/22/980877722.db2.gz IDCRIGQXDFGUHQ-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(CF)cc3)[C@@H]2C)CC[N@@H+]1C ZINC001088579175 981292243 /nfs/dbraw/zinc/29/22/43/981292243.db2.gz SGOPROJKMWKBDX-XFWGSAIBSA-N 1 3 361.505 2.965 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(CF)cc3)[C@@H]2C)CC[N@H+]1C ZINC001088579175 981292245 /nfs/dbraw/zinc/29/22/45/981292245.db2.gz SGOPROJKMWKBDX-XFWGSAIBSA-N 1 3 361.505 2.965 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(OC)c1OC ZINC000650721769 1014750725 /nfs/dbraw/zinc/75/07/25/1014750725.db2.gz ATRIDBFRADMMFM-JZXOWHBKSA-N 1 3 364.486 2.573 20 0 FFADHO Cc1nc(C(C)C)oc1CNC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996605529 984433354 /nfs/dbraw/zinc/43/33/54/984433354.db2.gz FWNPCQWRKLNEMY-NVXWUHKLSA-N 1 3 362.518 2.527 20 0 FFADHO Cc1nc(C(C)C)oc1CNC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996605529 984433356 /nfs/dbraw/zinc/43/33/56/984433356.db2.gz FWNPCQWRKLNEMY-NVXWUHKLSA-N 1 3 362.518 2.527 20 0 FFADHO NC(=O)c1ccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168388283 984439990 /nfs/dbraw/zinc/43/99/90/984439990.db2.gz DBXYKIRKUXZOJS-UHFFFAOYSA-N 1 3 357.498 2.503 20 0 FFADHO C[C@@H](NCC1(C[NH+](C)C)CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000760897477 984566579 /nfs/dbraw/zinc/56/65/79/984566579.db2.gz MKOHBYZXYHHPIP-TZIWHRDSSA-N 1 3 359.558 2.988 20 0 FFADHO C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)CCCCC1 ZINC001107485414 984589075 /nfs/dbraw/zinc/58/90/75/984589075.db2.gz ZZEMYEMOFUDOKR-IEBWSBKVSA-N 1 3 353.526 2.829 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2)[C@H](C1CC1)[NH+]1CCCC1 ZINC001107485315 984589507 /nfs/dbraw/zinc/58/95/07/984589507.db2.gz UFAXOQJBWHPPIF-DCTAQDFFSA-N 1 3 365.949 2.974 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000669483993 984650966 /nfs/dbraw/zinc/65/09/66/984650966.db2.gz XFWBLFXIDRUVKC-IRLDBZIGSA-N 1 3 370.541 2.999 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669562560 984784137 /nfs/dbraw/zinc/78/41/37/984784137.db2.gz MDQZQFOXJHNKRM-AABGKKOBSA-N 1 3 358.530 2.536 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCOCC1)CC2 ZINC001107617505 984841388 /nfs/dbraw/zinc/84/13/88/984841388.db2.gz KMPVXQJAATYFMX-TZIWHRDSSA-N 1 3 365.562 2.506 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCOCC1)CC2 ZINC001107617505 984841403 /nfs/dbraw/zinc/84/14/03/984841403.db2.gz KMPVXQJAATYFMX-TZIWHRDSSA-N 1 3 365.562 2.506 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H](c1ccccc1)N(C)C ZINC000669583357 984849902 /nfs/dbraw/zinc/84/99/02/984849902.db2.gz MXHZBVIAPWGVMU-QRWLVFNGSA-N 1 3 352.482 2.780 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(CC3CCCCCC3)CCO2)CC[N@@H+]1C ZINC001107953269 985404216 /nfs/dbraw/zinc/40/42/16/985404216.db2.gz WUPSKLOGSHCPAX-YFVAEKQCSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CN(CC3CCCCCC3)CCO2)CC[N@H+]1C ZINC001107953269 985404218 /nfs/dbraw/zinc/40/42/18/985404218.db2.gz WUPSKLOGSHCPAX-YFVAEKQCSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753620 985716900 /nfs/dbraw/zinc/71/69/00/985716900.db2.gz HPECPMHEKPSBNU-VHSSKADRSA-N 1 3 359.470 2.952 20 0 FFADHO C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000063149796 985739322 /nfs/dbraw/zinc/73/93/22/985739322.db2.gz WGGOQMWIIXIFRZ-GOSISDBHSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccccc3OC3CC3)C2)CC[N@@H+]1C ZINC000999191507 986386123 /nfs/dbraw/zinc/38/61/23/986386123.db2.gz YSAGOBROUMWMLA-YVWKXTFCSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccccc3OC3CC3)C2)CC[N@H+]1C ZINC000999191507 986386134 /nfs/dbraw/zinc/38/61/34/986386134.db2.gz YSAGOBROUMWMLA-YVWKXTFCSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001106133365 987034675 /nfs/dbraw/zinc/03/46/75/987034675.db2.gz KYLMVHAHRVGWAO-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001106244823 987748745 /nfs/dbraw/zinc/74/87/45/987748745.db2.gz UCWDPMOUBMBDSD-ZPPSIVDRSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106271311 987801119 /nfs/dbraw/zinc/80/11/19/987801119.db2.gz AGSQMOIMWLWWTF-KMMTZUTOSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106271311 987801124 /nfs/dbraw/zinc/80/11/24/987801124.db2.gz AGSQMOIMWLWWTF-KMMTZUTOSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000673235686 987895945 /nfs/dbraw/zinc/89/59/45/987895945.db2.gz GKPIHUXHIFYBLY-DFQSSKMNSA-N 1 3 358.530 2.821 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)n2)[C@H](C)C1 ZINC001106339379 987982018 /nfs/dbraw/zinc/98/20/18/987982018.db2.gz ITJKPCMHJILNDJ-HUUCEWRRSA-N 1 3 366.937 2.649 20 0 FFADHO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000922211292 988142448 /nfs/dbraw/zinc/14/24/48/988142448.db2.gz BQXYCMFKGVGYCI-RTWAWAEBSA-N 1 3 351.494 2.823 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000915321215 988430486 /nfs/dbraw/zinc/43/04/86/988430486.db2.gz QVQNRUFJFMWYTE-GOSISDBHSA-N 1 3 373.545 2.824 20 0 FFADHO COc1cc(C)cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1OC ZINC000922389235 988537902 /nfs/dbraw/zinc/53/79/02/988537902.db2.gz HYCIGUREKBCMCX-DGQTTZFYSA-N 1 3 362.514 2.582 20 0 FFADHO COc1cc(C)cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1OC ZINC000922389235 988537914 /nfs/dbraw/zinc/53/79/14/988537914.db2.gz HYCIGUREKBCMCX-DGQTTZFYSA-N 1 3 362.514 2.582 20 0 FFADHO Cc1ccccc1CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666027 988609216 /nfs/dbraw/zinc/60/92/16/988609216.db2.gz FICQFZAKRCJRNH-SYYKKAFVSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCc3ccccc3)[C@H](C)C2)C1 ZINC001106666251 988610014 /nfs/dbraw/zinc/61/00/14/988610014.db2.gz IAQUDBBAEMIWQM-SFHLNBCPSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]C/C=C\c3ccccc3)[C@H](C)C2)C1 ZINC001106666803 988610031 /nfs/dbraw/zinc/61/00/31/988610031.db2.gz WICWMIKMAHZLAL-KVFWPDNYSA-N 1 3 355.526 2.726 20 0 FFADHO CC(C)CCOCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672505 988620966 /nfs/dbraw/zinc/62/09/66/988620966.db2.gz ZVWDMEIEFWOOOM-RTBURBONSA-N 1 3 369.594 2.711 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922861656 988964335 /nfs/dbraw/zinc/96/43/35/988964335.db2.gz SRRVLJZRTFCVBG-UHFFFAOYSA-N 1 3 371.525 2.656 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1)C(C)C ZINC001106778210 989032902 /nfs/dbraw/zinc/03/29/02/989032902.db2.gz DWRHMTAKSNMOCD-NUJGCVRESA-N 1 3 366.575 2.694 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000193841477 989088688 /nfs/dbraw/zinc/08/86/88/989088688.db2.gz LOTADGIPLFLYDQ-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652311484 1015523605 /nfs/dbraw/zinc/52/36/05/1015523605.db2.gz MYJQCEOQLAKFFQ-UHFFFAOYSA-N 1 3 360.546 2.582 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC3CC3)C(C)C)cc2)CC1 ZINC000917101615 990134870 /nfs/dbraw/zinc/13/48/70/990134870.db2.gz JVZANVAKIQJOFT-UHFFFAOYSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC3CC3)C(C)C)cc2)CC1 ZINC000917101615 990134877 /nfs/dbraw/zinc/13/48/77/990134877.db2.gz JVZANVAKIQJOFT-UHFFFAOYSA-N 1 3 358.530 2.887 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675577117 990309919 /nfs/dbraw/zinc/30/99/19/990309919.db2.gz WSJHJPKZGOIIHL-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001034941513 990324716 /nfs/dbraw/zinc/32/47/16/990324716.db2.gz SPKUGPCZTUUODQ-CEXWTWQISA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001034941513 990324720 /nfs/dbraw/zinc/32/47/20/990324720.db2.gz SPKUGPCZTUUODQ-CEXWTWQISA-N 1 3 365.468 2.776 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CN1C1CC1 ZINC000130094466 990469633 /nfs/dbraw/zinc/46/96/33/990469633.db2.gz IXNNLFWXIHBKJN-GBESFXJTSA-N 1 3 362.562 2.765 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000676341628 990551803 /nfs/dbraw/zinc/55/18/03/990551803.db2.gz BDYQXUKYZZAOQD-OAQYLSRUSA-N 1 3 373.541 2.902 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000676341628 990551809 /nfs/dbraw/zinc/55/18/09/990551809.db2.gz BDYQXUKYZZAOQD-OAQYLSRUSA-N 1 3 373.541 2.902 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000676692412 990643760 /nfs/dbraw/zinc/64/37/60/990643760.db2.gz BJCQIXVMDFKVJU-IEBWSBKVSA-N 1 3 373.545 2.781 20 0 FFADHO c1cc(C[NH+]2CCCC2)cc(-c2noc([C@H]3CN4CCC[C@H]4CO3)n2)c1 ZINC000923869123 990707817 /nfs/dbraw/zinc/70/78/17/990707817.db2.gz YBDCOXDIBASPDI-ZWKOTPCHSA-N 1 3 354.454 2.868 20 0 FFADHO CCc1nc(CNC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)cs1 ZINC001106897334 990742280 /nfs/dbraw/zinc/74/22/80/990742280.db2.gz ALFCPJMSTIVUQF-HZPDHXFCSA-N 1 3 366.575 2.622 20 0 FFADHO Cc1cc(C)n(-c2ccc(CN3CCC([NH+]4CCN(C)CC4)CC3)cc2)n1 ZINC000879592037 1015600940 /nfs/dbraw/zinc/60/09/40/1015600940.db2.gz HCFREMUCHKITJJ-UHFFFAOYSA-N 1 3 367.541 2.701 20 0 FFADHO CC1(C)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000134262166 991032562 /nfs/dbraw/zinc/03/25/62/991032562.db2.gz PACQFHNPKUWPON-FQEVSTJZSA-N 1 3 355.526 2.855 20 0 FFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455849 991149737 /nfs/dbraw/zinc/14/97/37/991149737.db2.gz VLLDHGOALFDEDN-FQEVSTJZSA-N 1 3 373.541 2.563 20 0 FFADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000923487078 991177257 /nfs/dbraw/zinc/17/72/57/991177257.db2.gz WQAOKHWCUYDFAZ-HRAATJIYSA-N 1 3 369.534 2.893 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503712 991204259 /nfs/dbraw/zinc/20/42/59/991204259.db2.gz LVGIPVIVWXNDIJ-FGTMMUONSA-N 1 3 358.530 2.921 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC001106910641 991525955 /nfs/dbraw/zinc/52/59/55/991525955.db2.gz HWGBOJYZUMHORS-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO Cn1nnnc1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000879916619 1015706685 /nfs/dbraw/zinc/70/66/85/1015706685.db2.gz ILRZKAGUGKLVRY-UHFFFAOYSA-N 1 3 354.502 2.576 20 0 FFADHO C[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383475 993001419 /nfs/dbraw/zinc/00/14/19/993001419.db2.gz GCBMBHUXAMAUMM-JSNMRZPZSA-N 1 3 359.489 2.591 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)s1 ZINC001107030816 993216189 /nfs/dbraw/zinc/21/61/89/993216189.db2.gz XTONWEQTVASNHE-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cccs2)[C@H](C)C1 ZINC001107037261 993291717 /nfs/dbraw/zinc/29/17/17/993291717.db2.gz ZMCJMHFOTWUVFG-LMMKCTJWSA-N 1 3 363.571 2.849 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC001107040910 993294605 /nfs/dbraw/zinc/29/46/05/993294605.db2.gz SLOKJZYFIKOOQN-IXDOHACOSA-N 1 3 359.505 2.836 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2Cl)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783631 993349501 /nfs/dbraw/zinc/34/95/01/993349501.db2.gz YJJJGCAMUDEKAF-JTDSTZFVSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2Cl)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783631 993349505 /nfs/dbraw/zinc/34/95/05/993349505.db2.gz YJJJGCAMUDEKAF-JTDSTZFVSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@H]1CN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000880258640 1015791592 /nfs/dbraw/zinc/79/15/92/1015791592.db2.gz BQINJEJBGFEVMV-OALUTQOASA-N 1 3 364.493 2.754 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001131522415 994363336 /nfs/dbraw/zinc/36/33/36/994363336.db2.gz HAMFZEPPACKCMB-UHOSZYNNSA-N 1 3 367.578 2.749 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(CC[C@H]3CCC[N@@H+]3C)C2)O1 ZINC000880500727 1015857348 /nfs/dbraw/zinc/85/73/48/1015857348.db2.gz VEMQVYMZHNWDBV-CEMLEFRQSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(CC[C@H]3CCC[N@H+]3C)C2)O1 ZINC000880500727 1015857353 /nfs/dbraw/zinc/85/73/53/1015857353.db2.gz VEMQVYMZHNWDBV-CEMLEFRQSA-N 1 3 357.542 2.836 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC)CC1 ZINC001131578013 994415493 /nfs/dbraw/zinc/41/54/93/994415493.db2.gz KKEZDNMZRNALEL-CTNGQTDRSA-N 1 3 367.578 2.894 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604737 994437180 /nfs/dbraw/zinc/43/71/80/994437180.db2.gz DRZIZHFTNWCSCY-CTNGQTDRSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1 ZINC000880552037 1015869687 /nfs/dbraw/zinc/86/96/87/1015869687.db2.gz OWCNIWOWJVCMTA-OAQYLSRUSA-N 1 3 356.558 2.887 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1 ZINC000880552037 1015869692 /nfs/dbraw/zinc/86/96/92/1015869692.db2.gz OWCNIWOWJVCMTA-OAQYLSRUSA-N 1 3 356.558 2.887 20 0 FFADHO Cn1cncc1NC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170594142 994654829 /nfs/dbraw/zinc/65/48/29/994654829.db2.gz CGZYEYIRSCYFDU-FQEVSTJZSA-N 1 3 350.466 2.895 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810678826 994875654 /nfs/dbraw/zinc/87/56/54/994875654.db2.gz DPNXCAZGNVEBLT-BLIXFSHQSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810678826 994875666 /nfs/dbraw/zinc/87/56/66/994875666.db2.gz DPNXCAZGNVEBLT-BLIXFSHQSA-N 1 3 361.505 2.836 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000810709862 994895050 /nfs/dbraw/zinc/89/50/50/994895050.db2.gz BOPPUXFHAVMPPF-NQIIRXRSSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000810709862 994895059 /nfs/dbraw/zinc/89/50/59/994895059.db2.gz BOPPUXFHAVMPPF-NQIIRXRSSA-N 1 3 361.505 2.837 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)c(Cl)c1 ZINC001082559992 994935276 /nfs/dbraw/zinc/93/52/76/994935276.db2.gz WIKTVLCVJLHHDX-NIKGAXFTSA-N 1 3 363.933 2.925 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001082561909 994944969 /nfs/dbraw/zinc/94/49/69/994944969.db2.gz YZHRTLFXERZKEC-IIBYNOLFSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC001082561726 994945034 /nfs/dbraw/zinc/94/50/34/994945034.db2.gz MYNTWVXRHYUOQH-HLLBOEOZSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)c1ccccc1F ZINC001082617231 995082806 /nfs/dbraw/zinc/08/28/06/995082806.db2.gz DISORGPXVLIDCU-GPMSIDNRSA-N 1 3 359.489 2.952 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccn2)C1 ZINC001082852032 995648660 /nfs/dbraw/zinc/64/86/60/995648660.db2.gz PDQZOBMARWIDNC-MISYRCLQSA-N 1 3 358.530 2.673 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccn2)C1 ZINC001082852032 995648664 /nfs/dbraw/zinc/64/86/64/995648664.db2.gz PDQZOBMARWIDNC-MISYRCLQSA-N 1 3 358.530 2.673 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082861625 995666764 /nfs/dbraw/zinc/66/67/64/995666764.db2.gz IMMUPOWAPPOLSO-JTDSTZFVSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082861625 995666771 /nfs/dbraw/zinc/66/67/71/995666771.db2.gz IMMUPOWAPPOLSO-JTDSTZFVSA-N 1 3 363.933 2.927 20 0 FFADHO C[C@H](NCc1ccc(CC(N)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679289009 1015986291 /nfs/dbraw/zinc/98/62/91/1015986291.db2.gz JBKJYCMCHOZAIA-LAUBAEHRSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@H](NCc1ccc(CC(N)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679289009 1015986296 /nfs/dbraw/zinc/98/62/96/1015986296.db2.gz JBKJYCMCHOZAIA-LAUBAEHRSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000679289009 1015986308 /nfs/dbraw/zinc/98/63/08/1015986308.db2.gz JBKJYCMCHOZAIA-LAUBAEHRSA-N 1 3 351.494 2.715 20 0 FFADHO COc1ccc(CN2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001049480074 1016002412 /nfs/dbraw/zinc/00/24/12/1016002412.db2.gz CVFIVYMQFFDXGN-OTNPHJDUSA-N 1 3 371.525 2.601 20 0 FFADHO COc1ccc(CN2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001049480074 1016002420 /nfs/dbraw/zinc/00/24/20/1016002420.db2.gz CVFIVYMQFFDXGN-OTNPHJDUSA-N 1 3 371.525 2.601 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC(F)(F)CC3)C[C@H]21)N(C)C ZINC001084429054 996528597 /nfs/dbraw/zinc/52/85/97/996528597.db2.gz JKXUUBYHOVUKOB-KURKYZTESA-N 1 3 371.516 2.931 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC(F)(F)CC3)C[C@H]21)N(C)C ZINC001084429054 996528602 /nfs/dbraw/zinc/52/86/02/996528602.db2.gz JKXUUBYHOVUKOB-KURKYZTESA-N 1 3 371.516 2.931 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084398658 996542017 /nfs/dbraw/zinc/54/20/17/996542017.db2.gz JWQKQKZDWNYFDD-BHIFYINESA-N 1 3 369.553 2.740 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084398658 996542020 /nfs/dbraw/zinc/54/20/20/996542020.db2.gz JWQKQKZDWNYFDD-BHIFYINESA-N 1 3 369.553 2.740 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084403128 996544777 /nfs/dbraw/zinc/54/47/77/996544777.db2.gz GWUNYKIDFVWANP-NJDAHSKKSA-N 1 3 355.526 2.697 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084403128 996544781 /nfs/dbraw/zinc/54/47/81/996544781.db2.gz GWUNYKIDFVWANP-NJDAHSKKSA-N 1 3 355.526 2.697 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442472 996595919 /nfs/dbraw/zinc/59/59/19/996595919.db2.gz HNSIXXDEZJMEHH-NHCUHLMSSA-N 1 3 367.537 2.904 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608936 996723154 /nfs/dbraw/zinc/72/31/54/996723154.db2.gz PSWALBDEIRBWLE-FMWKFLBASA-N 1 3 355.526 2.758 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608936 996723158 /nfs/dbraw/zinc/72/31/58/996723158.db2.gz PSWALBDEIRBWLE-FMWKFLBASA-N 1 3 355.526 2.758 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702242 996988340 /nfs/dbraw/zinc/98/83/40/996988340.db2.gz ODWHBHKVVPKIFJ-NHCUHLMSSA-N 1 3 355.526 2.760 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000844165155 997690271 /nfs/dbraw/zinc/69/02/71/997690271.db2.gz RCKSHDJPCUAGCE-FQEVSTJZSA-N 1 3 369.484 2.855 20 0 FFADHO CCO[C@@H]1C[N@H+](CC[C@H]2CCCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844411217 997893410 /nfs/dbraw/zinc/89/34/10/997893410.db2.gz ZILPQSUCBDRAKC-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO CCO[C@@H]1C[N@@H+](CC[C@H]2CCCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844411217 997893423 /nfs/dbraw/zinc/89/34/23/997893423.db2.gz ZILPQSUCBDRAKC-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO CCN1CCCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000881136012 1016173847 /nfs/dbraw/zinc/17/38/47/1016173847.db2.gz DOKPZKGOTALBTH-FQEVSTJZSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCCN(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000881136012 1016173854 /nfs/dbraw/zinc/17/38/54/1016173854.db2.gz DOKPZKGOTALBTH-FQEVSTJZSA-N 1 3 371.529 2.531 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001084953418 998303153 /nfs/dbraw/zinc/30/31/53/998303153.db2.gz KHZHHAOGJHLZEQ-SQNIBIBYSA-N 1 3 369.500 2.829 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001084953418 998303166 /nfs/dbraw/zinc/30/31/66/998303166.db2.gz KHZHHAOGJHLZEQ-SQNIBIBYSA-N 1 3 369.500 2.829 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085074828 998861895 /nfs/dbraw/zinc/86/18/95/998861895.db2.gz DZMKSDWGZDEMMJ-HLVPQWAISA-N 1 3 367.537 2.964 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085074828 998861900 /nfs/dbraw/zinc/86/19/00/998861900.db2.gz DZMKSDWGZDEMMJ-HLVPQWAISA-N 1 3 367.537 2.964 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001085255165 999269643 /nfs/dbraw/zinc/26/96/43/999269643.db2.gz QSOHDXTWTNAQNW-KURKYZTESA-N 1 3 364.559 2.781 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001085255165 999269646 /nfs/dbraw/zinc/26/96/46/999269646.db2.gz QSOHDXTWTNAQNW-KURKYZTESA-N 1 3 364.559 2.781 20 0 FFADHO Cc1c(C[C@H](CN)C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cnn1C ZINC000903915120 1016304181 /nfs/dbraw/zinc/30/41/81/1016304181.db2.gz NFCJZEPOHKPFAE-HBGVWJBISA-N 1 3 374.504 2.837 20 0 FFADHO Cc1c(C[C@H](CN)C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cnn1C ZINC000903915120 1016304189 /nfs/dbraw/zinc/30/41/89/1016304189.db2.gz NFCJZEPOHKPFAE-HBGVWJBISA-N 1 3 374.504 2.837 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)N2CCCC2)c1 ZINC001085295684 999312881 /nfs/dbraw/zinc/31/28/81/999312881.db2.gz TZYFMVZDATZWCS-RTBURBONSA-N 1 3 358.530 2.781 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnoc2C)C1 ZINC001085306571 999330263 /nfs/dbraw/zinc/33/02/63/999330263.db2.gz GRLLQCIUIHMKBA-BHIYHBOVSA-N 1 3 362.518 2.622 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnoc2C)C1 ZINC001085306571 999330267 /nfs/dbraw/zinc/33/02/67/999330267.db2.gz GRLLQCIUIHMKBA-BHIYHBOVSA-N 1 3 362.518 2.622 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2F)CC1 ZINC001085319880 999356977 /nfs/dbraw/zinc/35/69/77/999356977.db2.gz SXLBJTRHJNOOQO-QZTJIDSGSA-N 1 3 365.468 2.824 20 0 FFADHO COc1ccc(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)c(C(F)(F)F)c1 ZINC000903927602 1016310392 /nfs/dbraw/zinc/31/03/92/1016310392.db2.gz ZYBXLLOUUNOJNB-ZDUSSCGKSA-N 1 3 370.419 2.663 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC001085352351 999406158 /nfs/dbraw/zinc/40/61/58/999406158.db2.gz CKOOZYOMZCUMKT-VAMGGRTRSA-N 1 3 365.562 2.693 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC001085352356 999406383 /nfs/dbraw/zinc/40/63/83/999406383.db2.gz CUCLOFPJJWELGX-AQNXPRMDSA-N 1 3 358.530 2.862 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)C1 ZINC001085393991 999449681 /nfs/dbraw/zinc/44/96/81/999449681.db2.gz QQIRFWKEQKJKBI-NIKGAXFTSA-N 1 3 365.468 2.824 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)C1 ZINC001085393991 999449683 /nfs/dbraw/zinc/44/96/83/999449683.db2.gz QQIRFWKEQKJKBI-NIKGAXFTSA-N 1 3 365.468 2.824 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(Cl)s2)C1 ZINC001085393643 999454101 /nfs/dbraw/zinc/45/41/01/999454101.db2.gz GCRHUUGBAAYHDZ-NWANDNLSSA-N 1 3 370.950 2.655 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(Cl)s2)C1 ZINC001085393643 999454105 /nfs/dbraw/zinc/45/41/05/999454105.db2.gz GCRHUUGBAAYHDZ-NWANDNLSSA-N 1 3 370.950 2.655 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC001086090921 999761828 /nfs/dbraw/zinc/76/18/28/999761828.db2.gz YCUWTMLOWGJHBA-LUYZLQTOSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC001086090921 999761829 /nfs/dbraw/zinc/76/18/29/999761829.db2.gz YCUWTMLOWGJHBA-LUYZLQTOSA-N 1 3 367.896 2.804 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)cc1CN1CCCCC1 ZINC000846192827 1000227067 /nfs/dbraw/zinc/22/70/67/1000227067.db2.gz JWMQKPACUHPQSW-UTKZUKDTSA-N 1 3 362.514 2.873 20 0 FFADHO CCOC(=O)Nc1ccc2c(CN3CCC(CC[NH3+])CC3)cc(=O)oc2c1 ZINC000846226795 1000236105 /nfs/dbraw/zinc/23/61/05/1000236105.db2.gz CBDLYGXPURCGDX-UHFFFAOYSA-N 1 3 373.453 2.922 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001109360634 1000312084 /nfs/dbraw/zinc/31/20/84/1000312084.db2.gz CJDVTCHMODZOJM-YRXWBPOGSA-N 1 3 365.537 2.968 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001109360634 1000312089 /nfs/dbraw/zinc/31/20/89/1000312089.db2.gz CJDVTCHMODZOJM-YRXWBPOGSA-N 1 3 365.537 2.968 20 0 FFADHO C[C@@H](c1ccc2c(c1)CCC2)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673483 1000829794 /nfs/dbraw/zinc/82/97/94/1000829794.db2.gz LJZBCRATXXVLAY-ZFCZOSEKSA-N 1 3 355.526 2.910 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[NH+](CC)CC ZINC001109714639 1000897031 /nfs/dbraw/zinc/89/70/31/1000897031.db2.gz RAXXEXQTVDIHNI-QZWWFDLISA-N 1 3 357.489 2.874 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC3=CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737297 1001182037 /nfs/dbraw/zinc/18/20/37/1001182037.db2.gz DJMWUCHJPQJSSY-SJBKTWHCSA-N 1 3 359.558 2.997 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737297 1001182041 /nfs/dbraw/zinc/18/20/41/1001182041.db2.gz DJMWUCHJPQJSSY-SJBKTWHCSA-N 1 3 359.558 2.997 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091738037 1001183635 /nfs/dbraw/zinc/18/36/35/1001183635.db2.gz NTFDRLNPXVEDGX-SJBKTWHCSA-N 1 3 355.526 2.616 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091738037 1001183639 /nfs/dbraw/zinc/18/36/39/1001183639.db2.gz NTFDRLNPXVEDGX-SJBKTWHCSA-N 1 3 355.526 2.616 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091738453 1001184809 /nfs/dbraw/zinc/18/48/09/1001184809.db2.gz YMLASDYOXWIDIS-XPNTWCBSSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091738453 1001184814 /nfs/dbraw/zinc/18/48/14/1001184814.db2.gz YMLASDYOXWIDIS-XPNTWCBSSA-N 1 3 369.553 2.870 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091754150 1001230533 /nfs/dbraw/zinc/23/05/33/1001230533.db2.gz GHRPRMRMGYLHRT-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091754150 1001230537 /nfs/dbraw/zinc/23/05/37/1001230537.db2.gz GHRPRMRMGYLHRT-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C(C)C)C[C@@H]3C)cc2)CC1 ZINC001149010973 1001244779 /nfs/dbraw/zinc/24/47/79/1001244779.db2.gz ICDYKXUFXRCFSV-RXVVDRJESA-N 1 3 372.557 2.677 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C(C)C)C[C@@H]3C)cc2)CC1 ZINC001149010973 1001244785 /nfs/dbraw/zinc/24/47/85/1001244785.db2.gz ICDYKXUFXRCFSV-RXVVDRJESA-N 1 3 372.557 2.677 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787715143 1001709596 /nfs/dbraw/zinc/70/95/96/1001709596.db2.gz ACGZGPWXAJAKLN-HLIPFELVSA-N 1 3 369.550 2.553 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787715143 1001709601 /nfs/dbraw/zinc/70/96/01/1001709601.db2.gz ACGZGPWXAJAKLN-HLIPFELVSA-N 1 3 369.550 2.553 20 0 FFADHO CCO[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087054342 1001737467 /nfs/dbraw/zinc/73/74/67/1001737467.db2.gz GEGFDMCPDXYLAE-RTBURBONSA-N 1 3 365.562 2.504 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091780365 1001905176 /nfs/dbraw/zinc/90/51/76/1001905176.db2.gz HQKIBZYJHMWVQU-SJBKTWHCSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091780365 1001905182 /nfs/dbraw/zinc/90/51/82/1001905182.db2.gz HQKIBZYJHMWVQU-SJBKTWHCSA-N 1 3 357.542 2.870 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092013134 1002284517 /nfs/dbraw/zinc/28/45/17/1002284517.db2.gz IVQHABKIIYWGAV-WPYKKVEZSA-N 1 3 369.553 2.660 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092013134 1002284525 /nfs/dbraw/zinc/28/45/25/1002284525.db2.gz IVQHABKIIYWGAV-WPYKKVEZSA-N 1 3 369.553 2.660 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)CCN(Cc2ccccc2)C1 ZINC001184364017 1002568433 /nfs/dbraw/zinc/56/84/33/1002568433.db2.gz JZKRNHAXYYQMPH-MQSCRBSSSA-N 1 3 374.569 2.848 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)CCN(Cc2ccccc2)C1 ZINC001184364017 1002568443 /nfs/dbraw/zinc/56/84/43/1002568443.db2.gz JZKRNHAXYYQMPH-MQSCRBSSSA-N 1 3 374.569 2.848 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnccc3C)C[C@@]2(C)C1 ZINC001092301804 1002632571 /nfs/dbraw/zinc/63/25/71/1002632571.db2.gz NWFHNUWURAXEPB-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnccc3C)C[C@@]2(C)C1 ZINC001092301804 1002632576 /nfs/dbraw/zinc/63/25/76/1002632576.db2.gz NWFHNUWURAXEPB-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO CC(C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001086601208 1002782724 /nfs/dbraw/zinc/78/27/24/1002782724.db2.gz KYNOWXSREKIYKJ-HBMCJLEFSA-N 1 3 355.526 2.853 20 0 FFADHO CC(C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001086601208 1002782727 /nfs/dbraw/zinc/78/27/27/1002782727.db2.gz KYNOWXSREKIYKJ-HBMCJLEFSA-N 1 3 355.526 2.853 20 0 FFADHO Cc1cnc(CN2C[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@H](C)C2)s1 ZINC001092781995 1003575585 /nfs/dbraw/zinc/57/55/85/1003575585.db2.gz AEQZJVXOKHSEBU-CZUORRHYSA-N 1 3 369.494 2.597 20 0 FFADHO O=C(NC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1)C1CC1 ZINC000678131631 1016810451 /nfs/dbraw/zinc/81/04/51/1016810451.db2.gz JOHNOSHBYCGPIY-UHFFFAOYSA-N 1 3 371.525 2.652 20 0 FFADHO CCCNC(=O)C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678131566 1016811792 /nfs/dbraw/zinc/81/17/92/1016811792.db2.gz GCBIMMJIRRNZED-UHFFFAOYSA-N 1 3 373.541 2.899 20 0 FFADHO Cn1cnc2ccc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc21 ZINC001170524216 1004590251 /nfs/dbraw/zinc/59/02/51/1004590251.db2.gz HUWXXUPMBVSEKX-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCCC1CC1 ZINC001198741776 1004718833 /nfs/dbraw/zinc/71/88/33/1004718833.db2.gz MLVZFSJWUCHQMO-SUMDDJOVSA-N 1 3 359.514 2.582 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCCC1CC1 ZINC001198741776 1004718838 /nfs/dbraw/zinc/71/88/38/1004718838.db2.gz MLVZFSJWUCHQMO-SUMDDJOVSA-N 1 3 359.514 2.582 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1CCc1scnc1C ZINC001489140083 1005421943 /nfs/dbraw/zinc/42/19/43/1005421943.db2.gz DEAZHLNTSQCCCY-LZLYRXPVSA-N 1 3 366.575 2.549 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1CCc1scnc1C ZINC001489140083 1005421946 /nfs/dbraw/zinc/42/19/46/1005421946.db2.gz DEAZHLNTSQCCCY-LZLYRXPVSA-N 1 3 366.575 2.549 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CCN1Cc1ccc(OC)cc1 ZINC001489142871 1005422772 /nfs/dbraw/zinc/42/27/72/1005422772.db2.gz ZBDJJKSEAVSMTP-XUVXKRRUSA-N 1 3 361.530 2.751 20 0 FFADHO CCCCOCCN1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001489293982 1005451171 /nfs/dbraw/zinc/45/11/71/1005451171.db2.gz RFOPYXXRWBIKHR-QRVBRYPASA-N 1 3 353.551 2.647 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001110615027 1005756010 /nfs/dbraw/zinc/75/60/10/1005756010.db2.gz BJKYQXBQROPRLM-WTGUMLROSA-N 1 3 361.505 2.631 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001110615027 1005756012 /nfs/dbraw/zinc/75/60/12/1005756012.db2.gz BJKYQXBQROPRLM-WTGUMLROSA-N 1 3 361.505 2.631 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000851665374 1005904481 /nfs/dbraw/zinc/90/44/81/1005904481.db2.gz ATEIYKQPIFXJBN-PXNSSMCTSA-N 1 3 356.514 2.580 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000851665374 1005904482 /nfs/dbraw/zinc/90/44/82/1005904482.db2.gz ATEIYKQPIFXJBN-PXNSSMCTSA-N 1 3 356.514 2.580 20 0 FFADHO COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000852105436 1005941645 /nfs/dbraw/zinc/94/16/45/1005941645.db2.gz JVMZBPKEIZSUHA-DFOOEPSASA-N 1 3 358.482 2.669 20 0 FFADHO COC(=O)/C=C\c1ccc(OCC[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000852105436 1005941647 /nfs/dbraw/zinc/94/16/47/1005941647.db2.gz JVMZBPKEIZSUHA-DFOOEPSASA-N 1 3 358.482 2.669 20 0 FFADHO CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CCc4c(ccc(=O)n4CCN4CCCC4)C3)C[C@@H]21 ZINC001170715862 1006079419 /nfs/dbraw/zinc/07/94/19/1006079419.db2.gz MBQSXACRGXGERZ-HAGHYFMRSA-N 1 3 369.553 2.826 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C=C1CC[NH2+]CC1 ZINC000852879703 1006220312 /nfs/dbraw/zinc/22/03/12/1006220312.db2.gz GVKZICVPISXRHP-UHFFFAOYSA-N 1 3 369.431 2.905 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CC[NH+](C)CC2)C3)c1 ZINC001097976105 1017036265 /nfs/dbraw/zinc/03/62/65/1017036265.db2.gz UISFLZNVAKINFY-NJYVYQBISA-N 1 3 355.526 2.948 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1 ZINC000854231875 1006734176 /nfs/dbraw/zinc/73/41/76/1006734176.db2.gz JTBJQEZAMLNTHM-LJQANCHMSA-N 1 3 373.545 2.823 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)cc2)CC1 ZINC000854231875 1006734183 /nfs/dbraw/zinc/73/41/83/1006734183.db2.gz JTBJQEZAMLNTHM-LJQANCHMSA-N 1 3 373.545 2.823 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001086740303 1007034709 /nfs/dbraw/zinc/03/47/09/1007034709.db2.gz RRHYYOXUNWYWNL-BBWFWOEESA-N 1 3 364.559 2.638 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001086740303 1007034720 /nfs/dbraw/zinc/03/47/20/1007034720.db2.gz RRHYYOXUNWYWNL-BBWFWOEESA-N 1 3 364.559 2.638 20 0 FFADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H](O)c3ccccn3)C2)ccn1 ZINC000856606550 1007914882 /nfs/dbraw/zinc/91/48/82/1007914882.db2.gz KOPGCVCOXQILOB-PZJWPPBQSA-N 1 3 370.497 2.504 20 0 FFADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H](O)c3ccccn3)C2)ccn1 ZINC000856606550 1007914887 /nfs/dbraw/zinc/91/48/87/1007914887.db2.gz KOPGCVCOXQILOB-PZJWPPBQSA-N 1 3 370.497 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001110738750 1008243251 /nfs/dbraw/zinc/24/32/51/1008243251.db2.gz RJKGEWCJWFJRAM-JJXSEGSLSA-N 1 3 357.489 2.874 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC001110738750 1008243253 /nfs/dbraw/zinc/24/32/53/1008243253.db2.gz RJKGEWCJWFJRAM-JJXSEGSLSA-N 1 3 357.489 2.874 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1(C)C ZINC000858191621 1008320738 /nfs/dbraw/zinc/32/07/38/1008320738.db2.gz BFBXZKMJYWYTGD-HOTGVXAUSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1(C)C ZINC000858191621 1008320747 /nfs/dbraw/zinc/32/07/47/1008320747.db2.gz BFBXZKMJYWYTGD-HOTGVXAUSA-N 1 3 367.534 2.617 20 0 FFADHO CC(C)(C)OC(=O)NC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCOCC1 ZINC000858492730 1008369215 /nfs/dbraw/zinc/36/92/15/1008369215.db2.gz SXBKSBFQWTVLMH-UHFFFAOYSA-N 1 3 369.550 2.913 20 0 FFADHO CC(C)(C)OC(=O)NC1(CNC2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC000858492730 1008369217 /nfs/dbraw/zinc/36/92/17/1008369217.db2.gz SXBKSBFQWTVLMH-UHFFFAOYSA-N 1 3 369.550 2.913 20 0 FFADHO COc1ncccc1C[NH+]1CCC2(C[C@@H](N(C)Cc3ccco3)CO2)CC1 ZINC001206569329 1032346734 /nfs/dbraw/zinc/34/67/34/1032346734.db2.gz VHDGEYUEJVCMLN-GOSISDBHSA-N 1 3 371.481 2.939 20 0 FFADHO CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@]1(O)CCOC1 ZINC000886629904 1008782265 /nfs/dbraw/zinc/78/22/65/1008782265.db2.gz QLDAPGBAURIKJX-XWUOBKMESA-N 1 3 358.526 2.807 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC001206596537 1032358816 /nfs/dbraw/zinc/35/88/16/1032358816.db2.gz NSZBVXCGROZBND-BHIFYINESA-N 1 3 357.542 2.551 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC001206596537 1032358822 /nfs/dbraw/zinc/35/88/22/1032358822.db2.gz NSZBVXCGROZBND-BHIFYINESA-N 1 3 357.542 2.551 20 0 FFADHO Cc1nc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001178522207 1009016713 /nfs/dbraw/zinc/01/67/13/1009016713.db2.gz HBDALPXALBZVOS-RHSMWYFYSA-N 1 3 366.575 2.866 20 0 FFADHO Cc1nc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001178522207 1009016731 /nfs/dbraw/zinc/01/67/31/1009016731.db2.gz HBDALPXALBZVOS-RHSMWYFYSA-N 1 3 366.575 2.866 20 0 FFADHO C[NH+]1CCC(C)(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001181989876 1010330665 /nfs/dbraw/zinc/33/06/65/1010330665.db2.gz AGQFWOGCUSFRLR-UHFFFAOYSA-N 1 3 357.542 2.789 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3C3CCC3)CC2)CC1 ZINC000890359429 1010369216 /nfs/dbraw/zinc/36/92/16/1010369216.db2.gz MPLLSZRPZQCYCU-UHFFFAOYSA-N 1 3 359.518 2.743 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNCc2ncc(C)s2)[C@H](C)C1 ZINC001093806325 1010582034 /nfs/dbraw/zinc/58/20/34/1010582034.db2.gz XIEJCTXTSCBJID-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNCc2ncc(C)s2)[C@H](C)C1 ZINC001093806325 1010582041 /nfs/dbraw/zinc/58/20/41/1010582041.db2.gz XIEJCTXTSCBJID-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001093821191 1010591941 /nfs/dbraw/zinc/59/19/41/1010591941.db2.gz UWMHLTCSORYGSY-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2F)[C@H](C)C1)N(C)C ZINC001093839222 1010609788 /nfs/dbraw/zinc/60/97/88/1010609788.db2.gz DYKGGOYCWCJSDN-OGWOLHLISA-N 1 3 367.484 2.735 20 0 FFADHO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000794834668 1010768507 /nfs/dbraw/zinc/76/85/07/1010768507.db2.gz HZMFLDWPVHIZRJ-ZXDFIECXSA-N 1 3 357.542 2.882 20 0 FFADHO COCC[NH+]1CCC(NCc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000865431537 1010784067 /nfs/dbraw/zinc/78/40/67/1010784067.db2.gz HNPYOLAMVKIVLN-UHFFFAOYSA-N 1 3 364.440 2.566 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3cccc(Cl)c3)[C@H](C)C2)C1 ZINC001094042160 1010804400 /nfs/dbraw/zinc/80/44/00/1010804400.db2.gz LZVFFXYRKSFBJV-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC001094074827 1010832983 /nfs/dbraw/zinc/83/29/83/1010832983.db2.gz NWXPTZHGYDFMEZ-MDYRTPRTSA-N 1 3 352.482 2.714 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cccc(C(F)F)c1 ZINC001094075171 1010834761 /nfs/dbraw/zinc/83/47/61/1010834761.db2.gz YTGASIGLCUMHAT-CZUORRHYSA-N 1 3 362.424 2.774 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC001094088612 1010849745 /nfs/dbraw/zinc/84/97/45/1010849745.db2.gz CZWGNDKDMRHFGV-NXHRZFHOSA-N 1 3 371.516 2.979 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)n1 ZINC001094241389 1010983455 /nfs/dbraw/zinc/98/34/55/1010983455.db2.gz ZPRTYGOCQUGHRQ-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO C[C@H]([NH2+]Cc1ccnc(-n2cncn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000866435883 1010995375 /nfs/dbraw/zinc/99/53/75/1010995375.db2.gz ODRIWOBONJKNOY-FXAWDEMLSA-N 1 3 362.481 2.663 20 0 FFADHO CCN(C)c1ncnc2c1CC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171634476 1011421907 /nfs/dbraw/zinc/42/19/07/1011421907.db2.gz BLZLTGZXMHJAJK-UHFFFAOYSA-N 1 3 359.562 2.985 20 0 FFADHO CCN(C)c1ncnc2c1CC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171634476 1011421916 /nfs/dbraw/zinc/42/19/16/1011421916.db2.gz BLZLTGZXMHJAJK-UHFFFAOYSA-N 1 3 359.562 2.985 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001274396631 1011421927 /nfs/dbraw/zinc/42/19/27/1011421927.db2.gz IGUJBBVCLTWMGL-NQIIRXRSSA-N 1 3 358.530 2.560 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001274396631 1011421935 /nfs/dbraw/zinc/42/19/35/1011421935.db2.gz IGUJBBVCLTWMGL-NQIIRXRSSA-N 1 3 358.530 2.560 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC2)c1 ZINC000645489936 1011502006 /nfs/dbraw/zinc/50/20/06/1011502006.db2.gz XGVRLVHWXRICMJ-CTNGQTDRSA-N 1 3 374.573 2.633 20 0 FFADHO CCO[C@@H](C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)C1CCCC1 ZINC000868923533 1011533277 /nfs/dbraw/zinc/53/32/77/1011533277.db2.gz KIGRENZYJCKYIY-HXUWFJFHSA-N 1 3 365.562 2.600 20 0 FFADHO CCO[C@@H](C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)C1CCCC1 ZINC000868923533 1011533289 /nfs/dbraw/zinc/53/32/89/1011533289.db2.gz KIGRENZYJCKYIY-HXUWFJFHSA-N 1 3 365.562 2.600 20 0 FFADHO O=C1C[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CCN1C1CC1 ZINC001172005602 1011563129 /nfs/dbraw/zinc/56/31/29/1011563129.db2.gz QPZUFDGGKPGYCJ-GOSISDBHSA-N 1 3 359.489 2.781 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]31)C2 ZINC001172114480 1011642977 /nfs/dbraw/zinc/64/29/77/1011642977.db2.gz CWDFLTNIYNUBRD-QMFSVNIWSA-N 1 3 371.525 2.955 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]31)C2 ZINC001172114480 1011642989 /nfs/dbraw/zinc/64/29/89/1011642989.db2.gz CWDFLTNIYNUBRD-QMFSVNIWSA-N 1 3 371.525 2.955 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172158186 1011671703 /nfs/dbraw/zinc/67/17/03/1011671703.db2.gz KEXURMZHGJDUEX-IRXDYDNUSA-N 1 3 361.917 2.829 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])N[C@@H]1CSc2ccccc2C1 ZINC001172198460 1011705338 /nfs/dbraw/zinc/70/53/38/1011705338.db2.gz SWAKBYQUEHQBSQ-HOCLYGCPSA-N 1 3 351.516 2.883 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001172251140 1011724858 /nfs/dbraw/zinc/72/48/58/1011724858.db2.gz BRTMVXFXVYPQJM-GOEBONIOSA-N 1 3 352.441 2.513 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001172255331 1011730736 /nfs/dbraw/zinc/73/07/36/1011730736.db2.gz OHRCYAVNUCMLST-KRWDZBQOSA-N 1 3 369.550 2.724 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC([NH3+])(Cc3cccc(OC)c3)CC2)C1 ZINC001172609307 1011882103 /nfs/dbraw/zinc/88/21/03/1011882103.db2.gz PIKNWMAQQIPKHV-MSOLQXFVSA-N 1 3 360.498 2.763 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001172781710 1012011413 /nfs/dbraw/zinc/01/14/13/1012011413.db2.gz YDOFJBWIZCPGCH-MSOLQXFVSA-N 1 3 352.519 2.589 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001275282912 1012198028 /nfs/dbraw/zinc/19/80/28/1012198028.db2.gz WZBDFUQBFVAVMV-SFHVURJKSA-N 1 3 370.324 2.979 20 0 FFADHO C[C@H]1CC[C@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173059883 1012215056 /nfs/dbraw/zinc/21/50/56/1012215056.db2.gz LKOUHVNVAPCJBZ-QAETUUGQSA-N 1 3 367.534 2.745 20 0 FFADHO CC[NH+](CC)C1CCC(n2cc(Br)ccc2=NCCN)CC1 ZINC001173107020 1012255946 /nfs/dbraw/zinc/25/59/46/1012255946.db2.gz IDLAFXROOIEAAF-UHFFFAOYSA-N 1 3 369.351 2.936 20 0 FFADHO CC[NH+](CC)C1CCC(N2CC(N3CCN(c4ccccn4)CC3)C2)CC1 ZINC001173113573 1012261143 /nfs/dbraw/zinc/26/11/43/1012261143.db2.gz VICDPZXNBYKTED-UHFFFAOYSA-N 1 3 371.573 2.541 20 0 FFADHO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](CCCN3CCCCC3)CC2)C1=O ZINC001275344059 1012342166 /nfs/dbraw/zinc/34/21/66/1012342166.db2.gz WWTCRTHEMGYWTG-NQIIRXRSSA-N 1 3 363.546 2.545 20 0 FFADHO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+](CCCN3CCCCC3)CC2)C1=O ZINC001275344059 1012342183 /nfs/dbraw/zinc/34/21/83/1012342183.db2.gz WWTCRTHEMGYWTG-NQIIRXRSSA-N 1 3 363.546 2.545 20 0 FFADHO CC[N@@H+]1CC[C@H](N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001173359286 1012488563 /nfs/dbraw/zinc/48/85/63/1012488563.db2.gz DMLGAEAMJRHCHR-ROUUACIJSA-N 1 3 363.571 2.898 20 0 FFADHO CC[N@H+]1CC[C@H](N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001173359286 1012488572 /nfs/dbraw/zinc/48/85/72/1012488572.db2.gz DMLGAEAMJRHCHR-ROUUACIJSA-N 1 3 363.571 2.898 20 0 FFADHO CCCN1C[C@@H]2C[NH+](C3CCN(C(=O)c4ccc(OC)cc4)CC3)C[C@H]2C1 ZINC001173412106 1012540592 /nfs/dbraw/zinc/54/05/92/1012540592.db2.gz ZBUNIHMFRNILDK-RTBURBONSA-N 1 3 371.525 2.573 20 0 FFADHO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000647909228 1012626779 /nfs/dbraw/zinc/62/67/79/1012626779.db2.gz XIDFKIOCTKRZAP-MRXNPFEDSA-N 1 3 361.530 2.540 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978609 1012655115 /nfs/dbraw/zinc/65/51/15/1012655115.db2.gz VOVUXWJLIVLZEQ-UXHICEINSA-N 1 3 373.541 2.803 20 0 FFADHO c1cc2n(n1)C[C@H](C[NH2+]C[C@H]1CCCCN(Cc3ccccc3)C1)CN2 ZINC000648037137 1012674763 /nfs/dbraw/zinc/67/47/63/1012674763.db2.gz GVSFQVZCYCQBBN-WOJBJXKFSA-N 1 3 353.514 2.817 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(N)Cc2ccccc2C1 ZINC000648152383 1012750004 /nfs/dbraw/zinc/75/00/04/1012750004.db2.gz VVYANFUGSAEMSM-UHFFFAOYSA-N 1 3 351.494 2.593 20 0 FFADHO C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000871357536 1012882007 /nfs/dbraw/zinc/88/20/07/1012882007.db2.gz MWAKRSKPSHGKDR-LWEYNCJUSA-N 1 3 358.530 2.673 20 0 FFADHO COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CCN(CC3CCOCC3)CC2)cc1 ZINC001173718949 1012917312 /nfs/dbraw/zinc/91/73/12/1012917312.db2.gz GFYBMAMBBMKPOV-QGZVFWFLSA-N 1 3 374.525 2.885 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097210265 1017195296 /nfs/dbraw/zinc/19/52/96/1017195296.db2.gz SNWKENDXVGYFHT-TVFCKZIOSA-N 1 3 369.500 2.731 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001097210265 1017195303 /nfs/dbraw/zinc/19/53/03/1017195303.db2.gz SNWKENDXVGYFHT-TVFCKZIOSA-N 1 3 369.500 2.731 20 0 FFADHO Cc1cc(N2CCC[C@@H](N[C@H](C)c3cccc(C[NH+](C)C)c3)C2=O)n(C)n1 ZINC000925894324 1017885512 /nfs/dbraw/zinc/88/55/12/1017885512.db2.gz XGPREVZESFBTHD-VQIMIIECSA-N 1 3 369.513 2.636 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097775603 1017915653 /nfs/dbraw/zinc/91/56/53/1017915653.db2.gz NYCDTUAVXOQRFZ-NJYVYQBISA-N 1 3 355.526 2.812 20 0 FFADHO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000681187378 1018404550 /nfs/dbraw/zinc/40/45/50/1018404550.db2.gz SUEIXTORFLOPMA-FQEVSTJZSA-N 1 3 358.530 2.949 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000681187378 1018404559 /nfs/dbraw/zinc/40/45/59/1018404559.db2.gz SUEIXTORFLOPMA-FQEVSTJZSA-N 1 3 358.530 2.949 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1 ZINC001110954732 1019186637 /nfs/dbraw/zinc/18/66/37/1019186637.db2.gz XBAVVAGLSZDDIH-AQNXPRMDSA-N 1 3 355.526 2.812 20 0 FFADHO CCOC(=O)CCCCCCN1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221771 1032831441 /nfs/dbraw/zinc/83/14/41/1032831441.db2.gz SBXYVZNHZCTDRF-QGZVFWFLSA-N 1 3 368.518 2.507 20 0 FFADHO N[C@@H](c1ccccc1)[C@@H](O)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217727894 1032850975 /nfs/dbraw/zinc/85/09/75/1032850975.db2.gz APGNKZRAXYKDTH-GBESFXJTSA-N 1 3 364.449 2.793 20 0 FFADHO N[C@@H](c1ccccc1)[C@@H](O)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217727894 1032850987 /nfs/dbraw/zinc/85/09/87/1032850987.db2.gz APGNKZRAXYKDTH-GBESFXJTSA-N 1 3 364.449 2.793 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000902432421 1020197200 /nfs/dbraw/zinc/19/72/00/1020197200.db2.gz HVAKIDGWYIDHEQ-VZDIAYEVSA-N 1 3 371.472 2.702 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCOC3CCCCCC3)C2)CC[N@@H+]1C ZINC001046329482 1020592812 /nfs/dbraw/zinc/59/28/12/1020592812.db2.gz QJUQWCJRXUCTEK-YFVAEKQCSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCOC3CCCCCC3)C2)CC[N@H+]1C ZINC001046329482 1020592821 /nfs/dbraw/zinc/59/28/21/1020592821.db2.gz QJUQWCJRXUCTEK-YFVAEKQCSA-N 1 3 365.562 2.647 20 0 FFADHO CCn1cnc2c1CCN(CCCCC[N@@H+]1CCc3c(ncn3CC)C1)C2 ZINC000933257702 1020985187 /nfs/dbraw/zinc/98/51/87/1020985187.db2.gz MKFZELDNTICBFP-UHFFFAOYSA-N 1 3 370.545 2.706 20 0 FFADHO CCn1cnc2c1CCN(CCCCC[N@H+]1CCc3c(ncn3CC)C1)C2 ZINC000933257702 1020985193 /nfs/dbraw/zinc/98/51/93/1020985193.db2.gz MKFZELDNTICBFP-UHFFFAOYSA-N 1 3 370.545 2.706 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000778213138 1021130901 /nfs/dbraw/zinc/13/09/01/1021130901.db2.gz DTJFQFYEFUBSQD-UHFFFAOYSA-N 1 3 373.541 2.777 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc2)cn1 ZINC001116870892 1021463180 /nfs/dbraw/zinc/46/31/80/1021463180.db2.gz JHOVOGCBFHTEQI-LEWJYISDSA-N 1 3 354.498 2.555 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001099121819 1021863104 /nfs/dbraw/zinc/86/31/04/1021863104.db2.gz IDFKJNZAMZZLHN-KPFFTGBYSA-N 1 3 361.555 2.869 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001099121819 1021863116 /nfs/dbraw/zinc/86/31/16/1021863116.db2.gz IDFKJNZAMZZLHN-KPFFTGBYSA-N 1 3 361.555 2.869 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001099160530 1021966611 /nfs/dbraw/zinc/96/66/11/1021966611.db2.gz RBBVVRKQUJJXEF-MMOPVJDHSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001099160530 1021966616 /nfs/dbraw/zinc/96/66/16/1021966616.db2.gz RBBVVRKQUJJXEF-MMOPVJDHSA-N 1 3 359.489 2.557 20 0 FFADHO O=C(CN1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](Cc1sccc1Cl)C2 ZINC001099163587 1021975338 /nfs/dbraw/zinc/97/53/38/1021975338.db2.gz IVVMKAMEMSTFNK-KSSFIOAISA-N 1 3 367.946 2.968 20 0 FFADHO O=C(CN1CCCC1)N[C@]12CCC[C@H]1C[N@H+](Cc1sccc1Cl)C2 ZINC001099163587 1021975350 /nfs/dbraw/zinc/97/53/50/1021975350.db2.gz IVVMKAMEMSTFNK-KSSFIOAISA-N 1 3 367.946 2.968 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001099223034 1022119323 /nfs/dbraw/zinc/11/93/23/1022119323.db2.gz CITZYUVRYMAWQR-BZUAXINKSA-N 1 3 359.436 2.560 20 0 FFADHO Cc1n[nH]c(C)c1CN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001118798302 1022411058 /nfs/dbraw/zinc/41/10/58/1022411058.db2.gz MHSKMVZYWKNQRB-LJQANCHMSA-N 1 3 357.502 2.915 20 0 FFADHO Cc1n[nH]c(C)c1CN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001118798302 1022411061 /nfs/dbraw/zinc/41/10/61/1022411061.db2.gz MHSKMVZYWKNQRB-LJQANCHMSA-N 1 3 357.502 2.915 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCCCCC1 ZINC001111234810 1022530254 /nfs/dbraw/zinc/53/02/54/1022530254.db2.gz PORNQWSGDUDRBK-RLLQIKCJSA-N 1 3 365.562 2.789 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCCCCC1 ZINC001111234810 1022530260 /nfs/dbraw/zinc/53/02/60/1022530260.db2.gz PORNQWSGDUDRBK-RLLQIKCJSA-N 1 3 365.562 2.789 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1cccc(OC)c1 ZINC001119466648 1022789167 /nfs/dbraw/zinc/78/91/67/1022789167.db2.gz BHXVUKNPUSTOOV-VAMGGRTRSA-N 1 3 374.529 2.614 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC001120536577 1023353014 /nfs/dbraw/zinc/35/30/14/1023353014.db2.gz MXEFWSMREFOUAD-AYBZRNKSSA-N 1 3 362.518 2.503 20 0 FFADHO Cc1cc(C)cc([C@H](O)C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000755236994 1023581790 /nfs/dbraw/zinc/58/17/90/1023581790.db2.gz UCDWFSXJVNKQIV-OAQYLSRUSA-N 1 3 359.558 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001491464068 1023605029 /nfs/dbraw/zinc/60/50/29/1023605029.db2.gz UYHMTYUVBNOPQP-AYOQOUSVSA-N 1 3 359.514 2.552 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccccc2OC2CC2)CC[N@H+]1C ZINC001491464068 1023605033 /nfs/dbraw/zinc/60/50/33/1023605033.db2.gz UYHMTYUVBNOPQP-AYOQOUSVSA-N 1 3 359.514 2.552 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)[C@H](C1CC1)N1CCCC1 ZINC001095812219 1023954308 /nfs/dbraw/zinc/95/43/08/1023954308.db2.gz GVTHCJPSZIVJKM-MLNNCEHLSA-N 1 3 367.537 2.825 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)[C@H](C1CC1)N1CCCC1 ZINC001095812219 1023954314 /nfs/dbraw/zinc/95/43/14/1023954314.db2.gz GVTHCJPSZIVJKM-MLNNCEHLSA-N 1 3 367.537 2.825 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001095812219 1023954323 /nfs/dbraw/zinc/95/43/23/1023954323.db2.gz GVTHCJPSZIVJKM-MLNNCEHLSA-N 1 3 367.537 2.825 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000758502292 1024144553 /nfs/dbraw/zinc/14/45/53/1024144553.db2.gz ADNHUYZMOBZNOB-SFHVURJKSA-N 1 3 373.545 2.824 20 0 FFADHO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC001121995982 1024247762 /nfs/dbraw/zinc/24/77/62/1024247762.db2.gz AUTFTQPNPOQTNT-OAHLLOKOSA-N 1 3 353.557 2.563 20 0 FFADHO Cc1cc(Cl)ccc1CN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101350843 1024525001 /nfs/dbraw/zinc/52/50/01/1024525001.db2.gz GYAJNDYNVOXNIR-XLIONFOSSA-N 1 3 363.933 2.880 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101478228 1024847077 /nfs/dbraw/zinc/84/70/77/1024847077.db2.gz DXJGTWNJIIWISW-LMMKCTJWSA-N 1 3 371.516 2.932 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101478228 1024847101 /nfs/dbraw/zinc/84/71/01/1024847101.db2.gz DXJGTWNJIIWISW-LMMKCTJWSA-N 1 3 371.516 2.932 20 0 FFADHO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974848 1025234403 /nfs/dbraw/zinc/23/44/03/1025234403.db2.gz SMBSXCULECUEAP-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101974848 1025234415 /nfs/dbraw/zinc/23/44/15/1025234415.db2.gz SMBSXCULECUEAP-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c(C)c1 ZINC001102046266 1025350098 /nfs/dbraw/zinc/35/00/98/1025350098.db2.gz VEKUTLHNGQYOBN-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c(C)c1 ZINC001102046266 1025350105 /nfs/dbraw/zinc/35/01/05/1025350105.db2.gz VEKUTLHNGQYOBN-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051631 1025363437 /nfs/dbraw/zinc/36/34/37/1025363437.db2.gz BMITWNBHKBYMIN-SJLPKXTDSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051631 1025363451 /nfs/dbraw/zinc/36/34/51/1025363451.db2.gz BMITWNBHKBYMIN-SJLPKXTDSA-N 1 3 363.571 2.849 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637717086 1025543347 /nfs/dbraw/zinc/54/33/47/1025543347.db2.gz DJHGVDKTZMOVLC-VQTJNVASSA-N 1 3 358.530 2.553 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637717086 1025543360 /nfs/dbraw/zinc/54/33/60/1025543360.db2.gz DJHGVDKTZMOVLC-VQTJNVASSA-N 1 3 358.530 2.553 20 0 FFADHO Cc1cc(Cl)ccc1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001141230890 1025648831 /nfs/dbraw/zinc/64/88/31/1025648831.db2.gz QKKOXWUQGFWOBM-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO Cc1cc(Cl)ccc1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001141230890 1025648835 /nfs/dbraw/zinc/64/88/35/1025648835.db2.gz QKKOXWUQGFWOBM-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292355 1025703068 /nfs/dbraw/zinc/70/30/68/1025703068.db2.gz KLIRJFNRSXXTFU-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO [NH3+]C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1C(F)(F)F ZINC000638559796 1025893024 /nfs/dbraw/zinc/89/30/24/1025893024.db2.gz QRGYMNQQIADMCH-IRXDYDNUSA-N 1 3 369.431 2.882 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1C ZINC001102475527 1026057555 /nfs/dbraw/zinc/05/75/55/1026057555.db2.gz RWQIKEWRUKZSQK-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1C ZINC001102475527 1026057569 /nfs/dbraw/zinc/05/75/69/1026057569.db2.gz RWQIKEWRUKZSQK-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@H]1C ZINC001102525475 1026217810 /nfs/dbraw/zinc/21/78/10/1026217810.db2.gz FATBISKVHYXBIO-RDTXWAMCSA-N 1 3 351.560 2.891 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1C ZINC001102525475 1026217824 /nfs/dbraw/zinc/21/78/24/1026217824.db2.gz FATBISKVHYXBIO-RDTXWAMCSA-N 1 3 351.560 2.891 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1C ZINC001102601304 1026400700 /nfs/dbraw/zinc/40/07/00/1026400700.db2.gz WIRSKLPCEMPNON-SJLPKXTDSA-N 1 3 357.498 2.957 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C ZINC001102601304 1026400708 /nfs/dbraw/zinc/40/07/08/1026400708.db2.gz WIRSKLPCEMPNON-SJLPKXTDSA-N 1 3 357.498 2.957 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC001102600830 1026400838 /nfs/dbraw/zinc/40/08/38/1026400838.db2.gz XDFYPMXLDJLOAK-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC001102600830 1026400840 /nfs/dbraw/zinc/40/08/40/1026400840.db2.gz XDFYPMXLDJLOAK-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO COc1cccc(NC(=O)CC[N@@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639706370 1026440915 /nfs/dbraw/zinc/44/09/15/1026440915.db2.gz YGVNZIDTJWFIIA-UHFFFAOYSA-N 1 3 354.454 2.631 20 0 FFADHO COc1cccc(NC(=O)CC[N@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639706370 1026440919 /nfs/dbraw/zinc/44/09/19/1026440919.db2.gz YGVNZIDTJWFIIA-UHFFFAOYSA-N 1 3 354.454 2.631 20 0 FFADHO CCCOCc1ccccc1CNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758557 1026457538 /nfs/dbraw/zinc/45/75/38/1026457538.db2.gz VBCCTPZOMGTIIM-UHFFFAOYSA-N 1 3 373.541 2.647 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000839197047 1026617583 /nfs/dbraw/zinc/61/75/83/1026617583.db2.gz SSWRSFARWQVMRM-UXPWSPDFSA-N 1 3 356.514 2.545 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000839543831 1026726057 /nfs/dbraw/zinc/72/60/57/1026726057.db2.gz HSRHWVIKGACBKJ-JOCHJYFZSA-N 1 3 373.541 2.733 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)sn1 ZINC001103083715 1026944545 /nfs/dbraw/zinc/94/45/45/1026944545.db2.gz GCQHVJBDAHRCNE-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)sn1 ZINC001103083715 1026944546 /nfs/dbraw/zinc/94/45/46/1026944546.db2.gz GCQHVJBDAHRCNE-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC001103156561 1027011275 /nfs/dbraw/zinc/01/12/75/1027011275.db2.gz KNCXVMAUWPCFMR-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC001103156561 1027011278 /nfs/dbraw/zinc/01/12/78/1027011278.db2.gz KNCXVMAUWPCFMR-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407682 1027417880 /nfs/dbraw/zinc/41/78/80/1027417880.db2.gz PASNJFGOQQSUMN-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ncsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407682 1027417884 /nfs/dbraw/zinc/41/78/84/1027417884.db2.gz PASNJFGOQQSUMN-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CCC[C@@H]3C)C2)s1 ZINC001103434327 1027473154 /nfs/dbraw/zinc/47/31/54/1027473154.db2.gz ZDTYFXLLELTDAA-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CCC[C@@H]3C)C2)s1 ZINC001103434327 1027473162 /nfs/dbraw/zinc/47/31/62/1027473162.db2.gz ZDTYFXLLELTDAA-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1C)N(C)C ZINC001103444700 1027491143 /nfs/dbraw/zinc/49/11/43/1027491143.db2.gz GFHCSPWLPQRTDJ-XYPHTWIQSA-N 1 3 366.575 2.674 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1C)N(C)C ZINC001103444700 1027491148 /nfs/dbraw/zinc/49/11/48/1027491148.db2.gz GFHCSPWLPQRTDJ-XYPHTWIQSA-N 1 3 366.575 2.674 20 0 FFADHO CN1CCN(Cc2cccc(Nc3ccc(O[C@@H]4CC[NH2+]C4)cc3)c2)CC1 ZINC001159924734 1027535750 /nfs/dbraw/zinc/53/57/50/1027535750.db2.gz WYGGMAAPHBMDQP-JOCHJYFZSA-N 1 3 366.509 2.918 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCCC3CCC4(CC3)OCCO4)n2)CC1 ZINC001160054042 1027575556 /nfs/dbraw/zinc/57/55/56/1027575556.db2.gz YCBFCICNLOFKGH-UHFFFAOYSA-N 1 3 360.502 2.744 20 0 FFADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001160152851 1027610737 /nfs/dbraw/zinc/61/07/37/1027610737.db2.gz INPMIWZWZMGMRB-NQIIRXRSSA-N 1 3 357.542 2.882 20 0 FFADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001160152851 1027610738 /nfs/dbraw/zinc/61/07/38/1027610738.db2.gz INPMIWZWZMGMRB-NQIIRXRSSA-N 1 3 357.542 2.882 20 0 FFADHO CN1CCN(Cc2ccc(Nc3cccc4c3[C@H]3C[NH2+]C[C@H]3O4)cc2)CC1 ZINC001160397005 1027693136 /nfs/dbraw/zinc/69/31/36/1027693136.db2.gz XLWUYXHVJRJQMP-GHTZIAJQSA-N 1 3 364.493 2.625 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001160499320 1027729648 /nfs/dbraw/zinc/72/96/48/1027729648.db2.gz YOGBYENRBCZFSO-PKOBYXMFSA-N 1 3 352.482 2.706 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001160499320 1027729670 /nfs/dbraw/zinc/72/96/70/1027729670.db2.gz YOGBYENRBCZFSO-PKOBYXMFSA-N 1 3 352.482 2.706 20 0 FFADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161057303 1027988775 /nfs/dbraw/zinc/98/87/75/1027988775.db2.gz UZIIZRUJYUATEK-IRXDYDNUSA-N 1 3 351.441 2.625 20 0 FFADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161057303 1027988795 /nfs/dbraw/zinc/98/87/95/1027988795.db2.gz UZIIZRUJYUATEK-IRXDYDNUSA-N 1 3 351.441 2.625 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1(C)C ZINC000249131056 1028008119 /nfs/dbraw/zinc/00/81/19/1028008119.db2.gz SHFDCOBLAFOTCC-UEXGIBASSA-N 1 3 361.530 2.718 20 0 FFADHO CN(CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1)Cc1ccccc1 ZINC001161160617 1028040886 /nfs/dbraw/zinc/04/08/86/1028040886.db2.gz CFJZWSJPDJWFSX-YADHBBJMSA-N 1 3 365.521 2.970 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C ZINC001103755492 1028140985 /nfs/dbraw/zinc/14/09/85/1028140985.db2.gz JFYNHRXHSVTUAC-IEBWSBKVSA-N 1 3 363.521 2.783 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C ZINC001103755492 1028140997 /nfs/dbraw/zinc/14/09/97/1028140997.db2.gz JFYNHRXHSVTUAC-IEBWSBKVSA-N 1 3 363.521 2.783 20 0 FFADHO COc1ccc2ccc(C(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)cc2c1 ZINC001161451035 1028182134 /nfs/dbraw/zinc/18/21/34/1028182134.db2.gz KARQGJXAQZGHCK-IBGZPJMESA-N 1 3 355.482 2.604 20 0 FFADHO COc1cccc(CC2([NH3+])CCN(c3cc(CN(C)C)ccn3)CC2)c1 ZINC001162050745 1028415161 /nfs/dbraw/zinc/41/51/61/1028415161.db2.gz YEKDLIAEOZAWNV-UHFFFAOYSA-N 1 3 354.498 2.692 20 0 FFADHO CC(C)[C@H](C(=O)Nc1cccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c1)N(C)C ZINC000644663881 1028619763 /nfs/dbraw/zinc/61/97/63/1028619763.db2.gz SPUCXGMXWBETDB-QZTJIDSGSA-N 1 3 362.518 2.736 20 0 FFADHO C[NH+](C)C[C@@H](Nc1ncc2c(n1)CCNC2)C12CC3CC(CC(C3)C1)C2 ZINC001162814186 1028666417 /nfs/dbraw/zinc/66/64/17/1028666417.db2.gz KRFUZXDGYGCKOU-KXDMBUCYSA-N 1 3 355.530 2.681 20 0 FFADHO CC[C@@H](F)CNCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162817160 1028669476 /nfs/dbraw/zinc/66/94/76/1028669476.db2.gz OPVKQOIFIPBZAH-MISYRCLQSA-N 1 3 363.521 2.736 20 0 FFADHO CC[C@@H](F)CNCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162817160 1028669480 /nfs/dbraw/zinc/66/94/80/1028669480.db2.gz OPVKQOIFIPBZAH-MISYRCLQSA-N 1 3 363.521 2.736 20 0 FFADHO COc1cccc(CCNc2cccc(N3CCC([NH3+])CC3)n2)c1OC ZINC001155859217 1028946849 /nfs/dbraw/zinc/94/68/49/1028946849.db2.gz YRWLSNPEHHVVOF-UHFFFAOYSA-N 1 3 356.470 2.681 20 0 FFADHO Clc1cc(C2CC[NH2+]CC2)nc(N2CCNC[C@H]2c2cccs2)n1 ZINC001156097646 1029046612 /nfs/dbraw/zinc/04/66/12/1029046612.db2.gz KZQXTNCTRDVEJP-AWEZNQCLSA-N 1 3 363.918 2.809 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111782518 1029436744 /nfs/dbraw/zinc/43/67/44/1029436744.db2.gz MGAIUIYLXHEJSD-ZOBUZTSGSA-N 1 3 361.452 2.784 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1CN(CCC(F)(F)F)C2 ZINC001111782518 1029436755 /nfs/dbraw/zinc/43/67/55/1029436755.db2.gz MGAIUIYLXHEJSD-ZOBUZTSGSA-N 1 3 361.452 2.784 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001111795931 1029472026 /nfs/dbraw/zinc/47/20/26/1029472026.db2.gz LSKIKTHACKYDTD-ZWOKBUDYSA-N 1 3 362.493 2.627 20 0 FFADHO CCOCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111869828 1029648873 /nfs/dbraw/zinc/64/88/73/1029648873.db2.gz LZFNJGOYBFYWTF-NSHGMRRFSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001111869828 1029648877 /nfs/dbraw/zinc/64/88/77/1029648877.db2.gz LZFNJGOYBFYWTF-NSHGMRRFSA-N 1 3 353.551 2.504 20 0 FFADHO N[C@@H](CC(=O)N1CCC[C@@](F)(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC001157745854 1029654765 /nfs/dbraw/zinc/65/47/65/1029654765.db2.gz OQRCYBXKJFMVFL-HOCLYGCPSA-N 1 3 361.383 2.775 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3nccc(-c4ccc(F)cc4)n3)CC2)CC1 ZINC001157837388 1029672923 /nfs/dbraw/zinc/67/29/23/1029672923.db2.gz BFBAGTVXBJVCCM-UHFFFAOYSA-N 1 3 369.488 2.747 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3nccc4c5c([nH]c43)CCC5)CC2)CC1 ZINC001157847753 1029675040 /nfs/dbraw/zinc/67/50/40/1029675040.db2.gz HDTYABOVSDAKCS-UHFFFAOYSA-N 1 3 353.514 2.515 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCc3cc(F)cc4c3OCOC4)n2)CC1 ZINC001158228062 1029763736 /nfs/dbraw/zinc/76/37/36/1029763736.db2.gz ZJSPUOFRAUTTBB-UHFFFAOYSA-N 1 3 358.417 2.627 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC001158404503 1029821147 /nfs/dbraw/zinc/82/11/47/1029821147.db2.gz UIQHNCFFFRZAJO-DOTOQJQBSA-N 1 3 355.885 2.805 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2ccc(F)cc2Cl)CC[N@H+]1C ZINC001158404503 1029821155 /nfs/dbraw/zinc/82/11/55/1029821155.db2.gz UIQHNCFFFRZAJO-DOTOQJQBSA-N 1 3 355.885 2.805 20 0 FFADHO CCOCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000782966350 1029867006 /nfs/dbraw/zinc/86/70/06/1029867006.db2.gz LQKOBBZDOWLZAL-SFTDATJTSA-N 1 3 362.514 2.917 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000841009084 1029973144 /nfs/dbraw/zinc/97/31/44/1029973144.db2.gz HGEXEQTXNDIYSR-HLAWJBBLSA-N 1 3 373.541 2.552 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000841009084 1029973150 /nfs/dbraw/zinc/97/31/50/1029973150.db2.gz HGEXEQTXNDIYSR-HLAWJBBLSA-N 1 3 373.541 2.552 20 0 FFADHO Clc1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c2c(n1)CNCC2 ZINC001165417741 1029973664 /nfs/dbraw/zinc/97/36/64/1029973664.db2.gz HSWKUGKRRJQJFC-UTKZUKDTSA-N 1 3 368.912 2.964 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114198 1030037264 /nfs/dbraw/zinc/03/72/64/1030037264.db2.gz DIYVISGQQRZMKH-OAGGEKHMSA-N 1 3 363.468 2.742 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112117933 1030044521 /nfs/dbraw/zinc/04/45/21/1030044521.db2.gz JZDGLCNCVHLTTB-OAGGEKHMSA-N 1 3 365.484 2.988 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166316 1030131552 /nfs/dbraw/zinc/13/15/52/1030131552.db2.gz ODRSRKVFJKIWTF-VCMBOFEFSA-N 1 3 361.452 2.806 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841282751 1030154087 /nfs/dbraw/zinc/15/40/87/1030154087.db2.gz NRGJHIZFAUFSSC-MRXNPFEDSA-N 1 3 356.470 2.666 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001112198122 1030215134 /nfs/dbraw/zinc/21/51/34/1030215134.db2.gz BSPIVTGBNYEDQF-ARFHVFGLSA-N 1 3 365.484 2.989 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000841901989 1030530258 /nfs/dbraw/zinc/53/02/58/1030530258.db2.gz OINIYCMLPOAFKY-YJBOKZPZSA-N 1 3 358.486 2.709 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000841901987 1030530816 /nfs/dbraw/zinc/53/08/16/1030530816.db2.gz OINIYCMLPOAFKY-QAPCUYQASA-N 1 3 358.486 2.709 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCOCC)C1 ZINC001112382102 1030707573 /nfs/dbraw/zinc/70/75/73/1030707573.db2.gz FBLHCXJABPHSQO-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(F)(F)F)C1 ZINC001112437157 1030808897 /nfs/dbraw/zinc/80/88/97/1030808897.db2.gz ZSGPLSINPLIHNK-YOEHRIQHSA-N 1 3 363.468 2.887 20 0 FFADHO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(O)cc3)O2)CC1 ZINC001204094690 1031099181 /nfs/dbraw/zinc/09/91/81/1031099181.db2.gz VVYSORTXYSHJOO-YPAWHYETSA-N 1 3 374.525 2.873 20 0 FFADHO CC(C)C(=O)NC1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204268531 1031196033 /nfs/dbraw/zinc/19/60/33/1031196033.db2.gz LSBGGGGHBYGFHX-UHFFFAOYSA-N 1 3 361.530 2.754 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)oc1C ZINC001204531360 1031339692 /nfs/dbraw/zinc/33/96/92/1031339692.db2.gz NEMKDAGLSTYLQA-TZIWHRDSSA-N 1 3 361.530 2.657 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)oc1C ZINC001204531360 1031339710 /nfs/dbraw/zinc/33/97/10/1031339710.db2.gz NEMKDAGLSTYLQA-TZIWHRDSSA-N 1 3 361.530 2.657 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363801 1031356756 /nfs/dbraw/zinc/35/67/56/1031356756.db2.gz AWHZDRNYHBWJJA-ZDUSSCGKSA-N 1 3 371.403 2.988 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000798485163 1031430496 /nfs/dbraw/zinc/43/04/96/1031430496.db2.gz POSXLBWXXGYQBI-RBBKRZOGSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000798485163 1031430507 /nfs/dbraw/zinc/43/05/07/1031430507.db2.gz POSXLBWXXGYQBI-RBBKRZOGSA-N 1 3 370.541 2.777 20 0 FFADHO COc1cc(OCc2ccccc2)ccc1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205228044 1031610887 /nfs/dbraw/zinc/61/08/87/1031610887.db2.gz AWEXMUVMVLECHQ-QFIPXVFZSA-N 1 3 370.493 2.950 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799178289 1031682183 /nfs/dbraw/zinc/68/21/83/1031682183.db2.gz KSUFAYAKWLEWJC-UHFFFAOYSA-N 1 3 373.541 2.899 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cccc(F)c1 ZINC001205434993 1031743253 /nfs/dbraw/zinc/74/32/53/1031743253.db2.gz ZBJSTIWNGPYUKC-LSTHTHJFSA-N 1 3 361.505 2.994 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CCC2)C1 ZINC001205445443 1031751787 /nfs/dbraw/zinc/75/17/87/1031751787.db2.gz BLKOCXLWYUSVHA-VQTJNVASSA-N 1 3 361.505 2.852 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001205685942 1031933995 /nfs/dbraw/zinc/93/39/95/1031933995.db2.gz JTNUHFPWYVTLBQ-HHXXYDBFSA-N 1 3 367.484 2.798 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(CCc2ccccn2)c1 ZINC001218816100 1033354783 /nfs/dbraw/zinc/35/47/83/1033354783.db2.gz YQNKTFFZVFUUET-FQEVSTJZSA-N 1 3 354.498 2.865 20 0 FFADHO N[C@H](C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)C1CC[NH2+]CC1 ZINC001219069518 1033506052 /nfs/dbraw/zinc/50/60/52/1033506052.db2.gz DRCJQDVPWWTOGZ-SFHVURJKSA-N 1 3 374.872 2.579 20 0 FFADHO COc1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(C)cc1Br ZINC001219140492 1033530030 /nfs/dbraw/zinc/53/00/30/1033530030.db2.gz HMSYRYQKICWGFP-ZDUSSCGKSA-N 1 3 372.307 2.764 20 0 FFADHO N[C@@H](C(=O)Nc1cc(C(F)(F)F)cc2ncccc21)C1CC[NH2+]CC1 ZINC001219188605 1033548553 /nfs/dbraw/zinc/54/85/53/1033548553.db2.gz QQIXBEGOFNFKRY-OAHLLOKOSA-N 1 3 352.360 2.519 20 0 FFADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)c3csc([C@H]4CCCN4)n3)cc2)C1 ZINC001219235893 1033568017 /nfs/dbraw/zinc/56/80/17/1033568017.db2.gz HXMKNBSFQOKMDZ-XJKSGUPXSA-N 1 3 371.510 2.747 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001219817320 1033833012 /nfs/dbraw/zinc/83/30/12/1033833012.db2.gz XGLHMRNQKUBKRL-ZCNNSNEGSA-N 1 3 369.534 2.775 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ccccc1 ZINC001219852290 1033852475 /nfs/dbraw/zinc/85/24/75/1033852475.db2.gz PWJHBVKVWCCWBH-UWHLTILDSA-N 1 3 373.541 2.590 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccccc1N1CCCCCC1 ZINC001219976887 1033919510 /nfs/dbraw/zinc/91/95/10/1033919510.db2.gz QICCOOIOOQENFJ-IBGZPJMESA-N 1 3 360.546 2.742 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3ccc(Cl)o3)CC2)C1=O ZINC001277083912 1034454260 /nfs/dbraw/zinc/45/42/60/1034454260.db2.gz SPBWNOVLEKGZEQ-GOSISDBHSA-N 1 3 353.894 2.699 20 0 FFADHO O=C(N[C@@H]1CC=CCC1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001221018936 1034502237 /nfs/dbraw/zinc/50/22/37/1034502237.db2.gz MNDFZBPIBHBOEE-KCZVDYSFSA-N 1 3 353.510 2.713 20 0 FFADHO CN1CCC[C@](C)(NC(=O)C[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001221241684 1034620263 /nfs/dbraw/zinc/62/02/63/1034620263.db2.gz XGABRSNZSCCPAW-UWJYYQICSA-N 1 3 361.530 2.724 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](Cc1ccc3occc3c1)CC2 ZINC001138822608 1034716239 /nfs/dbraw/zinc/71/62/39/1034716239.db2.gz FBSPRVBOQDMDKH-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccc3occc3c1)CC2 ZINC001138822608 1034716244 /nfs/dbraw/zinc/71/62/44/1034716244.db2.gz FBSPRVBOQDMDKH-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001226554939 1034732064 /nfs/dbraw/zinc/73/20/64/1034732064.db2.gz VAOZBFQWTLBPTI-GVDBMIGSSA-N 1 3 355.523 2.945 20 0 FFADHO c1ccc2nc(CN3CCC(COCC[NH+]4CCCC4)CC3)cnc2c1 ZINC001138863415 1034752543 /nfs/dbraw/zinc/75/25/43/1034752543.db2.gz LCPUNDXCFYNTGQ-UHFFFAOYSA-N 1 3 354.498 2.954 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C2CCC2)c1 ZINC001226823943 1034853056 /nfs/dbraw/zinc/85/30/56/1034853056.db2.gz FVLINIAVICMPDK-WOJBJXKFSA-N 1 3 359.514 2.697 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001221588236 1034900588 /nfs/dbraw/zinc/90/05/88/1034900588.db2.gz ZQAUKVBTHZKNFO-CEXWTWQISA-N 1 3 353.526 2.779 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001221588236 1034900591 /nfs/dbraw/zinc/90/05/91/1034900591.db2.gz ZQAUKVBTHZKNFO-CEXWTWQISA-N 1 3 353.526 2.779 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001227158384 1034953586 /nfs/dbraw/zinc/95/35/86/1034953586.db2.gz HTSCZTSBHUNLRQ-IAGOWNOFSA-N 1 3 366.937 2.982 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001227158384 1034953590 /nfs/dbraw/zinc/95/35/90/1034953590.db2.gz HTSCZTSBHUNLRQ-IAGOWNOFSA-N 1 3 366.937 2.982 20 0 FFADHO CCOC(=O)COc1ccccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001139136614 1034966027 /nfs/dbraw/zinc/96/60/27/1034966027.db2.gz ICQVNYXDNWODIV-UHFFFAOYSA-N 1 3 360.498 2.936 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001221811613 1035086072 /nfs/dbraw/zinc/08/60/72/1035086072.db2.gz CFWKAECKCVWILZ-NJDAHSKKSA-N 1 3 357.542 2.882 20 0 FFADHO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC001228044036 1035899906 /nfs/dbraw/zinc/89/99/06/1035899906.db2.gz UOHAMWGTMMHUAN-HXUWFJFHSA-N 1 3 370.541 2.825 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)sn1 ZINC001228445667 1036119297 /nfs/dbraw/zinc/11/92/97/1036119297.db2.gz VCFOMOTUFWTTSI-BRWVUGGUSA-N 1 3 352.548 2.555 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C)[NH+](CC)CC ZINC001228559791 1036179153 /nfs/dbraw/zinc/17/91/53/1036179153.db2.gz YIUUKRYTZGMADU-KURKYZTESA-N 1 3 350.507 2.620 20 0 FFADHO Cc1ncc(F)cc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001232987701 1036221968 /nfs/dbraw/zinc/22/19/68/1036221968.db2.gz BSFHPEKBARZFNJ-UHFFFAOYSA-N 1 3 357.477 2.770 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1N(C)C)N(C)C ZINC001228647074 1036231176 /nfs/dbraw/zinc/23/11/76/1036231176.db2.gz OFNKFUYBSQCWMY-QRVBRYPASA-N 1 3 360.546 2.610 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3csc(Br)c3)CC2)CC1 ZINC001233415223 1036610156 /nfs/dbraw/zinc/61/01/56/1036610156.db2.gz JZUADFHKVXZHAJ-UHFFFAOYSA-N 1 3 372.376 2.970 20 0 FFADHO Cc1cnc([C@@H](C)N[C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+](C)C)cn1 ZINC001229801987 1036908751 /nfs/dbraw/zinc/90/87/51/1036908751.db2.gz YRPNCDCBBZTZIZ-KZNAEPCWSA-N 1 3 361.534 2.595 20 0 FFADHO CCc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229808535 1036910194 /nfs/dbraw/zinc/91/01/94/1036910194.db2.gz UMPJOVKNIIYVEM-RTBURBONSA-N 1 3 364.534 2.794 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001230171975 1037129409 /nfs/dbraw/zinc/12/94/09/1037129409.db2.gz ORXLFWRQXPYYDH-QZTJIDSGSA-N 1 3 364.559 2.926 20 0 FFADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1)OC ZINC001230243743 1037175021 /nfs/dbraw/zinc/17/50/21/1037175021.db2.gz URAKRUWUCWHASW-VAMGGRTRSA-N 1 3 361.530 2.804 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC001230280062 1037191513 /nfs/dbraw/zinc/19/15/13/1037191513.db2.gz NQMMJQLMGVBYJU-RTBURBONSA-N 1 3 360.546 2.610 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286812 1037198461 /nfs/dbraw/zinc/19/84/61/1037198461.db2.gz TWLSATFQBJZBPI-VAMGGRTRSA-N 1 3 367.578 2.941 20 0 FFADHO Cc1cncc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001207157746 1037203415 /nfs/dbraw/zinc/20/34/15/1037203415.db2.gz XHVNETBXPOWACH-YPAWHYETSA-N 1 3 373.541 2.870 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C ZINC001207231590 1037266472 /nfs/dbraw/zinc/26/64/72/1037266472.db2.gz MAAGEIHNCNNDNM-YZGWKJHDSA-N 1 3 363.521 2.736 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC001207231590 1037266479 /nfs/dbraw/zinc/26/64/79/1037266479.db2.gz MAAGEIHNCNNDNM-YZGWKJHDSA-N 1 3 363.521 2.736 20 0 FFADHO CC(C)(CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)N1CCOCC1 ZINC001207308105 1037335509 /nfs/dbraw/zinc/33/55/09/1037335509.db2.gz RYVMQZSYCFYMNE-YADHBBJMSA-N 1 3 371.569 2.941 20 0 FFADHO CC(C)(CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)N1CCOCC1 ZINC001207308105 1037335515 /nfs/dbraw/zinc/33/55/15/1037335515.db2.gz RYVMQZSYCFYMNE-YADHBBJMSA-N 1 3 371.569 2.941 20 0 FFADHO C[C@H](CCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1)CC(C)(C)C ZINC001235206025 1037411276 /nfs/dbraw/zinc/41/12/76/1037411276.db2.gz QOEZGXJSASYLRH-QGZVFWFLSA-N 1 3 350.551 2.922 20 0 FFADHO CC(=O)Oc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1OC(C)=O ZINC001235243286 1037430343 /nfs/dbraw/zinc/43/03/43/1037430343.db2.gz WSQWRWLJACHLCJ-IBGZPJMESA-N 1 3 374.481 2.891 20 0 FFADHO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC001207598993 1037589813 /nfs/dbraw/zinc/58/98/13/1037589813.db2.gz TXSQEPLYAHYRLJ-HOJAQTOUSA-N 1 3 373.932 2.959 20 0 FFADHO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC001207598993 1037589820 /nfs/dbraw/zinc/58/98/20/1037589820.db2.gz TXSQEPLYAHYRLJ-HOJAQTOUSA-N 1 3 373.932 2.959 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001207652800 1037631212 /nfs/dbraw/zinc/63/12/12/1037631212.db2.gz MSUFAHSYMFRGKW-YSGRDPCXSA-N 1 3 356.514 2.691 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001207652800 1037631220 /nfs/dbraw/zinc/63/12/20/1037631220.db2.gz MSUFAHSYMFRGKW-YSGRDPCXSA-N 1 3 356.514 2.691 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1C)[NH+](C)C ZINC001207650241 1037631499 /nfs/dbraw/zinc/63/14/99/1037631499.db2.gz XWCGYBCOGXWNQO-KFWWJZLASA-N 1 3 351.457 2.742 20 0 FFADHO [NH3+]CCNC(=O)c1cccc(CN2CCC(Cc3cccc(F)c3)CC2)c1 ZINC001236093293 1037932319 /nfs/dbraw/zinc/93/23/19/1037932319.db2.gz URSODPNCMSPNBL-UHFFFAOYSA-N 1 3 369.484 2.969 20 0 FFADHO c1ccc(-c2cccc(N3CCN(CC[C@H]4C[NH2+]CCO4)CC3)c2)cc1 ZINC001236183290 1037970622 /nfs/dbraw/zinc/97/06/22/1037970622.db2.gz VUPYOVNXNCOXDM-QFIPXVFZSA-N 1 3 351.494 2.854 20 0 FFADHO c1ccc(-c2cccc(N3CC[NH+](CC[C@H]4CNCCO4)CC3)c2)cc1 ZINC001236183290 1037970638 /nfs/dbraw/zinc/97/06/38/1037970638.db2.gz VUPYOVNXNCOXDM-QFIPXVFZSA-N 1 3 351.494 2.854 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001208106092 1038036828 /nfs/dbraw/zinc/03/68/28/1038036828.db2.gz FMNFCGLDBHDIPU-NJDAHSKKSA-N 1 3 373.541 2.810 20 0 FFADHO Fc1cccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1I ZINC001236320030 1038042193 /nfs/dbraw/zinc/04/21/93/1038042193.db2.gz ALJNPTKPZKTZHA-TXEJJXNPSA-N 1 3 374.241 2.862 20 0 FFADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255677800 1038119442 /nfs/dbraw/zinc/11/94/42/1038119442.db2.gz XWKJCRVTDQELJI-GLHNNUHNSA-N 1 3 357.542 2.881 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001255941907 1038266105 /nfs/dbraw/zinc/26/61/05/1038266105.db2.gz ZFVQHURABLALQI-MHORFTMASA-N 1 3 369.550 2.721 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001255941907 1038266114 /nfs/dbraw/zinc/26/61/14/1038266114.db2.gz ZFVQHURABLALQI-MHORFTMASA-N 1 3 369.550 2.721 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]CCCN1CCCCC1 ZINC001255996008 1038301490 /nfs/dbraw/zinc/30/14/90/1038301490.db2.gz QKXWWHPVIUQAMF-UHFFFAOYSA-N 1 3 356.507 2.507 20 0 FFADHO C[C@@H]1CN(Cc2cccc3cccnc32)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425341 1038306522 /nfs/dbraw/zinc/30/65/22/1038306522.db2.gz DAMOTYOFTMCIIF-VQIMIIECSA-N 1 3 366.509 2.513 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC001256034753 1038329277 /nfs/dbraw/zinc/32/92/77/1038329277.db2.gz YSKDEQBXYYSWIO-RTBURBONSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC001256034753 1038329290 /nfs/dbraw/zinc/32/92/90/1038329290.db2.gz YSKDEQBXYYSWIO-RTBURBONSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]([NH3+])CN(C)Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001236895135 1038338445 /nfs/dbraw/zinc/33/84/45/1038338445.db2.gz MDCRXBFKURSUIV-IBGZPJMESA-N 1 3 352.526 2.788 20 0 FFADHO CCO[C@@H]1C[C@H]2CN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)CCN2C1 ZINC001208585786 1038428672 /nfs/dbraw/zinc/42/86/72/1038428672.db2.gz WVBRKJJFEZIMAR-BHIFYINESA-N 1 3 357.542 2.836 20 0 FFADHO CCO[C@@H]1C[C@H]2CN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)CCN2C1 ZINC001208585786 1038428674 /nfs/dbraw/zinc/42/86/74/1038428674.db2.gz WVBRKJJFEZIMAR-BHIFYINESA-N 1 3 357.542 2.836 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)CC1 ZINC001208598479 1038436209 /nfs/dbraw/zinc/43/62/09/1038436209.db2.gz BMQUBFRDPWAKNJ-XUVXKRRUSA-N 1 3 359.514 2.672 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001208600678 1038439061 /nfs/dbraw/zinc/43/90/61/1038439061.db2.gz WLOFWXSOBHKPJL-FDFHNCONSA-N 1 3 373.541 2.810 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cncc(-c3ccccc3)c1)C2 ZINC001278941458 1038536029 /nfs/dbraw/zinc/53/60/29/1038536029.db2.gz RUKNLYMTQDHZPV-KNQAVFIVSA-N 1 3 350.510 2.816 20 0 FFADHO C[C@H]1C[C@@H](NCCOc2ccccc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256527988 1038544900 /nfs/dbraw/zinc/54/49/00/1038544900.db2.gz BVPOQISZFGMTMC-HKUYNNGSSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@H]1C[C@@H](NCCOc2ccccc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256527988 1038544907 /nfs/dbraw/zinc/54/49/07/1038544907.db2.gz BVPOQISZFGMTMC-HKUYNNGSSA-N 1 3 367.493 2.807 20 0 FFADHO COc1ccnc(C2(C[NH2+]C3CCN(C(C)(C)C)CC3)CCOCC2)c1 ZINC001256567744 1038563550 /nfs/dbraw/zinc/56/35/50/1038563550.db2.gz YTNQEWQCNKHGRQ-UHFFFAOYSA-N 1 3 361.530 2.991 20 0 FFADHO COc1ccnc(C2(CNC3CC[NH+](C(C)(C)C)CC3)CCOCC2)c1 ZINC001256567744 1038563557 /nfs/dbraw/zinc/56/35/57/1038563557.db2.gz YTNQEWQCNKHGRQ-UHFFFAOYSA-N 1 3 361.530 2.991 20 0 FFADHO c1ccc(CN2CCC([NH2+][C@@H]3CCN(CC4CCOCC4)C3)CC2)cc1 ZINC001256601335 1038578665 /nfs/dbraw/zinc/57/86/65/1038578665.db2.gz SXKXWSWEYOCDHP-JOCHJYFZSA-N 1 3 357.542 2.742 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccc(OC(F)F)nc1)CC2 ZINC001278956890 1038598760 /nfs/dbraw/zinc/59/87/60/1038598760.db2.gz JAWIECCUVCITJC-UHFFFAOYSA-N 1 3 368.472 2.533 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccc(OC(F)F)nc1)CC2 ZINC001278956890 1038598763 /nfs/dbraw/zinc/59/87/63/1038598763.db2.gz JAWIECCUVCITJC-UHFFFAOYSA-N 1 3 368.472 2.533 20 0 FFADHO CC(C)(C)CC(=O)N1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681039 1038600416 /nfs/dbraw/zinc/60/04/16/1038600416.db2.gz IXLSPEOPDBPHQZ-UHFFFAOYSA-N 1 3 365.562 2.647 20 0 FFADHO CCOC(=O)C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256683784 1038601315 /nfs/dbraw/zinc/60/13/15/1038601315.db2.gz HMRFUGXOCSBZPD-MHJFOBGBSA-N 1 3 360.498 2.914 20 0 FFADHO Cc1ncc(Br)cc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685215 1038601584 /nfs/dbraw/zinc/60/15/84/1038601584.db2.gz ZZLUNHJOXVBVRT-UHFFFAOYSA-N 1 3 368.319 2.886 20 0 FFADHO O=C(C1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCCC1 ZINC001208950057 1038602248 /nfs/dbraw/zinc/60/22/48/1038602248.db2.gz PLBBMFWJFWIPPG-FQEVSTJZSA-N 1 3 355.526 2.843 20 0 FFADHO O=C(C1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCC1 ZINC001208950057 1038602250 /nfs/dbraw/zinc/60/22/50/1038602250.db2.gz PLBBMFWJFWIPPG-FQEVSTJZSA-N 1 3 355.526 2.843 20 0 FFADHO Cc1ccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)nc1 ZINC001256686157 1038602351 /nfs/dbraw/zinc/60/23/51/1038602351.db2.gz JUGXHCLRJPIMHF-UHFFFAOYSA-N 1 3 373.541 2.671 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256687001 1038602622 /nfs/dbraw/zinc/60/26/22/1038602622.db2.gz ZLOSLYLFYBBZKT-SAGYGOJTSA-N 1 3 367.534 2.665 20 0 FFADHO CC(C)NC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208957564 1038606456 /nfs/dbraw/zinc/60/64/56/1038606456.db2.gz LTUFZMTWVHJECA-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)NC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208957564 1038606458 /nfs/dbraw/zinc/60/64/58/1038606458.db2.gz LTUFZMTWVHJECA-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO CCOC[C@H]1CN(C2CCN(c3cc[nH+]cc3)CC2)Cc2cn(CC)nc21 ZINC001256859470 1038637806 /nfs/dbraw/zinc/63/78/06/1038637806.db2.gz WYXJFUHJNPSVLE-GOSISDBHSA-N 1 3 369.513 2.903 20 0 FFADHO c1cncc(CN2CCC3(CN([C@@H]4CCC[N@@H+](C5CCCC5)C4)C3)C2)c1 ZINC001256913109 1038653482 /nfs/dbraw/zinc/65/34/82/1038653482.db2.gz HZMAKLKYRFVLAY-OAQYLSRUSA-N 1 3 354.542 2.996 20 0 FFADHO c1cncc(CN2CCC3(CN([C@@H]4CCC[N@H+](C5CCCC5)C4)C3)C2)c1 ZINC001256913109 1038653486 /nfs/dbraw/zinc/65/34/86/1038653486.db2.gz HZMAKLKYRFVLAY-OAQYLSRUSA-N 1 3 354.542 2.996 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc3c(c1)CCCO3)C2 ZINC001278979539 1038662322 /nfs/dbraw/zinc/66/23/22/1038662322.db2.gz FGLYZIKAKASKMA-QFIPXVFZSA-N 1 3 357.542 2.861 20 0 FFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc3c(c1)CCCO3)C2 ZINC001278979539 1038662326 /nfs/dbraw/zinc/66/23/26/1038662326.db2.gz FGLYZIKAKASKMA-QFIPXVFZSA-N 1 3 357.542 2.861 20 0 FFADHO COC(=O)CC1CCC(N2CCC([NH+]3CCC(OC)CC3)CC2)CC1 ZINC001256990688 1038673185 /nfs/dbraw/zinc/67/31/85/1038673185.db2.gz MGFHQOLIXGVDBP-UHFFFAOYSA-N 1 3 352.519 2.684 20 0 FFADHO c1cncc(CN2CCO[C@@H]3C[N@H+](CCCc4ccncc4)CC[C@@H]3C2)c1 ZINC001209188667 1038707440 /nfs/dbraw/zinc/70/74/40/1038707440.db2.gz QTCMACCGWDHJRE-FGZHOGPDSA-N 1 3 366.509 2.632 20 0 FFADHO c1cncc(CN2CCO[C@@H]3C[N@@H+](CCCc4ccncc4)CC[C@@H]3C2)c1 ZINC001209188667 1038707449 /nfs/dbraw/zinc/70/74/49/1038707449.db2.gz QTCMACCGWDHJRE-FGZHOGPDSA-N 1 3 366.509 2.632 20 0 FFADHO C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(CCN3CCOCC3)C[C@@H]21 ZINC001209289412 1038744345 /nfs/dbraw/zinc/74/43/45/1038744345.db2.gz BOTZSJSHWAHTHB-YSIASYRMSA-N 1 3 363.571 2.613 20 0 FFADHO C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(CCN3CCOCC3)C[C@@H]21 ZINC001209289412 1038744348 /nfs/dbraw/zinc/74/43/48/1038744348.db2.gz BOTZSJSHWAHTHB-YSIASYRMSA-N 1 3 363.571 2.613 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3c[nH]c4ccc(C)cc34)CC[C@@H]2C1 ZINC001209492395 1038926327 /nfs/dbraw/zinc/92/63/27/1038926327.db2.gz KQOBBQTXVJNLEN-DYESRHJHSA-N 1 3 357.498 2.645 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3c[nH]c4ccc(C)cc34)CC[C@@H]2C1 ZINC001209492395 1038926343 /nfs/dbraw/zinc/92/63/43/1038926343.db2.gz KQOBBQTXVJNLEN-DYESRHJHSA-N 1 3 357.498 2.645 20 0 FFADHO C[C@H](C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1)CC(F)(F)F ZINC001276657991 1039059930 /nfs/dbraw/zinc/05/99/30/1039059930.db2.gz WRWGBJXSCIXYBO-HNNXBMFYSA-N 1 3 363.468 2.841 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)N(C)C)cc1 ZINC001251372661 1039095219 /nfs/dbraw/zinc/09/52/19/1039095219.db2.gz VMDYWJVHFOIUME-YJBOKZPZSA-N 1 3 364.559 2.652 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@H+]2CC[C@H](C)C2)N(C)C)cc1 ZINC001251372661 1039095235 /nfs/dbraw/zinc/09/52/35/1039095235.db2.gz VMDYWJVHFOIUME-YJBOKZPZSA-N 1 3 364.559 2.652 20 0 FFADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)CC1 ZINC001258012064 1039109960 /nfs/dbraw/zinc/10/99/60/1039109960.db2.gz PLVJRWSMTHRISZ-SFTDATJTSA-N 1 3 359.514 2.814 20 0 FFADHO CC(C)CN1CCC([N@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)CC1 ZINC001258012064 1039109968 /nfs/dbraw/zinc/10/99/68/1039109968.db2.gz PLVJRWSMTHRISZ-SFTDATJTSA-N 1 3 359.514 2.814 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnccc1N)CC2 ZINC001209731526 1039166389 /nfs/dbraw/zinc/16/63/89/1039166389.db2.gz XSUZLRRZPUMWHK-FQEVSTJZSA-N 1 3 366.509 2.750 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cnccc1N)CC2 ZINC001209731526 1039166394 /nfs/dbraw/zinc/16/63/94/1039166394.db2.gz XSUZLRRZPUMWHK-FQEVSTJZSA-N 1 3 366.509 2.750 20 0 FFADHO CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1c[nH+]ccc1N)CC2 ZINC001209730338 1039167229 /nfs/dbraw/zinc/16/72/29/1039167229.db2.gz IRCUZZGVLIMGDF-LJQANCHMSA-N 1 3 364.493 2.865 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCOc1cccc2ccccc21 ZINC001246003266 1039185152 /nfs/dbraw/zinc/18/51/52/1039185152.db2.gz QJUNQQMRXCWIOH-LEWJYISDSA-N 1 3 350.462 2.739 20 0 FFADHO O[C@H](CNCC[C@@H]1CCCC[NH2+]1)COCc1c(Cl)cccc1Cl ZINC001246002536 1039185234 /nfs/dbraw/zinc/18/52/34/1039185234.db2.gz PIFJXOSNPPBICM-UONOGXRCSA-N 1 3 361.313 2.993 20 0 FFADHO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1F ZINC001246013957 1039190828 /nfs/dbraw/zinc/19/08/28/1039190828.db2.gz JFMRRELRZLZEPZ-YXKWSERDSA-N 1 3 352.400 2.994 20 0 FFADHO CC(C)([NH3+])CN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246098854 1039242802 /nfs/dbraw/zinc/24/28/02/1039242802.db2.gz FTAKATVLACOFEE-RBSFLKMASA-N 1 3 370.534 2.782 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cccnc1C(F)(F)F)C2 ZINC001278432440 1039252255 /nfs/dbraw/zinc/25/22/55/1039252255.db2.gz KIAOHNDGSLLLPH-GOSISDBHSA-N 1 3 370.463 2.950 20 0 FFADHO COc1ccc2cc(CC[C@H](C)[NH2+][C@@H]3[C@H]4CNC[C@@H]3COC4)ccc2c1 ZINC001246153400 1039259691 /nfs/dbraw/zinc/25/96/91/1039259691.db2.gz YHZQQCLQNVKUKN-CNWYBHPASA-N 1 3 354.494 2.994 20 0 FFADHO c1ccc(CN2CCC[C@H]([NH2+][C@H]3CCCC[C@@]34CNCCO4)CC2)cc1 ZINC001246161409 1039262111 /nfs/dbraw/zinc/26/21/11/1039262111.db2.gz RIBCOZGQMHPXDD-FDFHNCONSA-N 1 3 357.542 2.932 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@H](C)CCC(C)C)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246418314 1039346814 /nfs/dbraw/zinc/34/68/14/1039346814.db2.gz YSISYBAPVHIYEY-UOBLNPGPSA-N 1 3 356.551 2.703 20 0 FFADHO COc1ccccc1CC1([NH2+][C@@H]2CCN[C@@H](C(F)(F)F)C2)CCNCC1 ZINC001246426492 1039351171 /nfs/dbraw/zinc/35/11/71/1039351171.db2.gz QLTIKBWKKDSKGM-NVXWUHKLSA-N 1 3 371.447 2.632 20 0 FFADHO COc1ccccc1CC1(N[C@@H]2CCN[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246426492 1039351187 /nfs/dbraw/zinc/35/11/87/1039351187.db2.gz QLTIKBWKKDSKGM-NVXWUHKLSA-N 1 3 371.447 2.632 20 0 FFADHO N[C@H](CCCC[NH2+]C1CCN(CC2CC2)CC1)C(=O)OCc1ccccc1 ZINC001246487902 1039369135 /nfs/dbraw/zinc/36/91/35/1039369135.db2.gz SLNMKVYTGIHNEZ-OAQYLSRUSA-N 1 3 373.541 2.691 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCc4c(C)cccc4C3)C[C@@H]1CNCCC2 ZINC001246610833 1039414861 /nfs/dbraw/zinc/41/48/61/1039414861.db2.gz SHGFIHNGBCKUNL-JQVVWYNYSA-N 1 3 356.510 2.717 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCc4c(C)cccc4C3)C[C@@H]1CNCCC2 ZINC001246610833 1039414866 /nfs/dbraw/zinc/41/48/66/1039414866.db2.gz SHGFIHNGBCKUNL-JQVVWYNYSA-N 1 3 356.510 2.717 20 0 FFADHO Cc1cc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cnc1Cl ZINC001278643273 1039422905 /nfs/dbraw/zinc/42/29/05/1039422905.db2.gz OWURREWEXHBWRT-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO Cc1cc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cnc1Cl ZINC001278643273 1039422914 /nfs/dbraw/zinc/42/29/14/1039422914.db2.gz OWURREWEXHBWRT-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO O=C1CC[C@@H](N2CCN(c3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC001258581761 1039439533 /nfs/dbraw/zinc/43/95/33/1039439533.db2.gz RUQJEYSBBRINCV-HXUWFJFHSA-N 1 3 364.493 2.785 20 0 FFADHO O=C1CC[C@@H]([NH+]2CCN(c3ccncc3)CC2)CCN1Cc1ccccc1 ZINC001258581761 1039439541 /nfs/dbraw/zinc/43/95/41/1039439541.db2.gz RUQJEYSBBRINCV-HXUWFJFHSA-N 1 3 364.493 2.785 20 0 FFADHO C[C@@H]1C[C@@H](N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CC[NH2+]1 ZINC001246721180 1039449720 /nfs/dbraw/zinc/44/97/20/1039449720.db2.gz KFSVNUMREWAAEY-SQNIBIBYSA-N 1 3 363.571 2.944 20 0 FFADHO Cc1cc(CN2CCCC3(CC[NH+](CC4CCOCC4)CC3)C2)n(C)n1 ZINC001278464957 1039470458 /nfs/dbraw/zinc/47/04/58/1039470458.db2.gz PUSRPWHUPMXCOW-UHFFFAOYSA-N 1 3 360.546 2.833 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(OC)cc2)C2CCNCC2)C1 ZINC001246955317 1039546560 /nfs/dbraw/zinc/54/65/60/1039546560.db2.gz RRYCPBMWUWASOZ-IEBWSBKVSA-N 1 3 360.498 2.981 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(OC)cc2)C2CCNCC2)C1 ZINC001246955317 1039546575 /nfs/dbraw/zinc/54/65/75/1039546575.db2.gz RRYCPBMWUWASOZ-IEBWSBKVSA-N 1 3 360.498 2.981 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001210756210 1039711929 /nfs/dbraw/zinc/71/19/29/1039711929.db2.gz FDBBWWPAYDBBAQ-UHFFFAOYSA-N 1 3 368.529 2.954 20 0 FFADHO Cc1ccc2[nH]nc(CN3CCC4(CC[N@@H+](CCN(C)C)C4)CC3)c2c1 ZINC001278485191 1039739545 /nfs/dbraw/zinc/73/95/45/1039739545.db2.gz NFEOVLVDRBAZAX-UHFFFAOYSA-N 1 3 355.530 2.721 20 0 FFADHO Cc1ccc2[nH]nc(CN3CCC4(CC[N@H+](CCN(C)C)C4)CC3)c2c1 ZINC001278485191 1039739553 /nfs/dbraw/zinc/73/95/53/1039739553.db2.gz NFEOVLVDRBAZAX-UHFFFAOYSA-N 1 3 355.530 2.721 20 0 FFADHO Cc1ccc2n[nH]c(CN3CCC4(CC[N@@H+](CCN(C)C)C4)CC3)c2c1 ZINC001278485191 1039739575 /nfs/dbraw/zinc/73/95/75/1039739575.db2.gz NFEOVLVDRBAZAX-UHFFFAOYSA-N 1 3 355.530 2.721 20 0 FFADHO Cc1ccc2n[nH]c(CN3CCC4(CC[N@H+](CCN(C)C)C4)CC3)c2c1 ZINC001278485191 1039739592 /nfs/dbraw/zinc/73/95/92/1039739592.db2.gz NFEOVLVDRBAZAX-UHFFFAOYSA-N 1 3 355.530 2.721 20 0 FFADHO OC[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC001252952297 1039862640 /nfs/dbraw/zinc/86/26/40/1039862640.db2.gz ZUDIZFGKHPIYGT-FPOVZHCZSA-N 1 3 374.912 2.643 20 0 FFADHO OC[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC001252952297 1039862665 /nfs/dbraw/zinc/86/26/65/1039862665.db2.gz ZUDIZFGKHPIYGT-FPOVZHCZSA-N 1 3 374.912 2.643 20 0 FFADHO Fc1ccc(Oc2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)cc1 ZINC001247851144 1039992025 /nfs/dbraw/zinc/99/20/25/1039992025.db2.gz NONVWKLJGVEDMT-UHFFFAOYSA-N 1 3 366.396 2.728 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(Cc2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC001253378019 1040142799 /nfs/dbraw/zinc/14/27/99/1040142799.db2.gz ZFZVZQAKCQEWGB-HXUWFJFHSA-N 1 3 361.436 2.895 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC001253377806 1040142907 /nfs/dbraw/zinc/14/29/07/1040142907.db2.gz XBINZOSSHZKWCK-FQEVSTJZSA-N 1 3 361.436 2.895 20 0 FFADHO CC(C)(C)OC[C@@H](O)CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001253480188 1040201384 /nfs/dbraw/zinc/20/13/84/1040201384.db2.gz ZMIWGSNFKCQMQA-IBGZPJMESA-N 1 3 373.541 2.940 20 0 FFADHO c1cc(-c2noc(C3CCC4(CC[NH2+]CC4)CC3)n2)nc2c1CNCC2 ZINC001248318443 1040227367 /nfs/dbraw/zinc/22/73/67/1040227367.db2.gz AJVFWNDNGCCPIB-UHFFFAOYSA-N 1 3 353.470 2.805 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccnc(F)c4)C[C@H]3CC2)[nH]1 ZINC001278726862 1040240212 /nfs/dbraw/zinc/24/02/12/1040240212.db2.gz HKIOKKAMVOWHKF-CALCHBBNSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccnc(F)c4)C[C@H]3CC2)[nH]1 ZINC001278726862 1040240235 /nfs/dbraw/zinc/24/02/35/1040240235.db2.gz HKIOKKAMVOWHKF-CALCHBBNSA-N 1 3 356.445 2.665 20 0 FFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3ccncc3Cl)C2)C1 ZINC001278731358 1040250645 /nfs/dbraw/zinc/25/06/45/1040250645.db2.gz GIMAUHSPFJMWFN-LJQANCHMSA-N 1 3 350.938 2.975 20 0 FFADHO Clc1cnccc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001278729971 1040258176 /nfs/dbraw/zinc/25/81/76/1040258176.db2.gz VHLCAUZDMHSMSQ-UHFFFAOYSA-N 1 3 359.905 2.920 20 0 FFADHO Clc1cnccc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001278729971 1040258195 /nfs/dbraw/zinc/25/81/95/1040258195.db2.gz VHLCAUZDMHSMSQ-UHFFFAOYSA-N 1 3 359.905 2.920 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001248521553 1040310124 /nfs/dbraw/zinc/31/01/24/1040310124.db2.gz QBCIKBZJTNUSED-PMACEKPBSA-N 1 3 358.530 2.743 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001248521553 1040310136 /nfs/dbraw/zinc/31/01/36/1040310136.db2.gz QBCIKBZJTNUSED-PMACEKPBSA-N 1 3 358.530 2.743 20 0 FFADHO CO[C@@H]1CN([C@@H](C)c2cc(C)ccc2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346481 1040468310 /nfs/dbraw/zinc/46/83/10/1040468310.db2.gz OZATXPAHDFVQRR-DFQSSKMNSA-N 1 3 361.530 2.522 20 0 FFADHO C[NH+](C)CCN1CCC2(CN(Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC001278751590 1040474028 /nfs/dbraw/zinc/47/40/28/1040474028.db2.gz FZLCVGVSQSIKHM-UHFFFAOYSA-N 1 3 357.542 2.860 20 0 FFADHO CCOC(=O)C1(C)CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038626 1040538748 /nfs/dbraw/zinc/53/87/48/1040538748.db2.gz KXKQSIXNZNEPDD-UHFFFAOYSA-N 1 3 374.525 2.679 20 0 FFADHO OC1(CN2CCOc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254039059 1040541535 /nfs/dbraw/zinc/54/15/35/1040541535.db2.gz XVUGIBHWMUINRQ-UHFFFAOYSA-N 1 3 352.478 2.908 20 0 FFADHO OC1(C[NH2+]Cc2cc3ccncc3[nH]2)CCN(Cc2ccccc2)CC1 ZINC001254053374 1040555118 /nfs/dbraw/zinc/55/51/18/1040555118.db2.gz NOGBIEXKTQCLJB-UHFFFAOYSA-N 1 3 350.466 2.680 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc(OC)c3F)(C1)CCC2 ZINC001278765125 1040602580 /nfs/dbraw/zinc/60/25/80/1040602580.db2.gz VKPFBBDUTKXTQN-UXHICEINSA-N 1 3 366.477 2.979 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(C3CCc4ccccc4CC3)CC[C@@H]2C1 ZINC001254458569 1040730688 /nfs/dbraw/zinc/73/06/88/1040730688.db2.gz AMLMMXJBRAMGHN-IFMALSPDSA-N 1 3 358.526 2.603 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(C3CCc4ccccc4CC3)CC[C@@H]2C1 ZINC001254458569 1040730696 /nfs/dbraw/zinc/73/06/96/1040730696.db2.gz AMLMMXJBRAMGHN-IFMALSPDSA-N 1 3 358.526 2.603 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@H]3CCC[N@@H+](C)CC3)C[C@@H]12 ZINC001254520918 1040768761 /nfs/dbraw/zinc/76/87/61/1040768761.db2.gz GCKSPFFJXHTRDM-BDTNDASRSA-N 1 3 355.526 2.735 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@H]3CCC[N@H+](C)CC3)C[C@@H]12 ZINC001254520918 1040768776 /nfs/dbraw/zinc/76/87/76/1040768776.db2.gz GCKSPFFJXHTRDM-BDTNDASRSA-N 1 3 355.526 2.735 20 0 FFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685727 1040880437 /nfs/dbraw/zinc/88/04/37/1040880437.db2.gz HZTXAVGBYAHZGT-LSDHHAIUSA-N 1 3 355.548 2.555 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685727 1040880448 /nfs/dbraw/zinc/88/04/48/1040880448.db2.gz HZTXAVGBYAHZGT-LSDHHAIUSA-N 1 3 355.548 2.555 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254685727 1040880456 /nfs/dbraw/zinc/88/04/56/1040880456.db2.gz HZTXAVGBYAHZGT-LSDHHAIUSA-N 1 3 355.548 2.555 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](N3CCN(c4cc[nH+]cc4)CC3)C[C@@H]2C1 ZINC001254899515 1041035948 /nfs/dbraw/zinc/03/59/48/1041035948.db2.gz IHGZPHOVJLKJSD-DZFIZOCASA-N 1 3 372.513 2.849 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH+]3CCN(c4ccncc4)CC3)C[C@@H]2C1 ZINC001254899515 1041035960 /nfs/dbraw/zinc/03/59/60/1041035960.db2.gz IHGZPHOVJLKJSD-DZFIZOCASA-N 1 3 372.513 2.849 20 0 FFADHO CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213931673 1041080485 /nfs/dbraw/zinc/08/04/85/1041080485.db2.gz OAPXNNAHLDRLTI-AQNXPRMDSA-N 1 3 367.578 2.893 20 0 FFADHO CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213931673 1041080504 /nfs/dbraw/zinc/08/05/04/1041080504.db2.gz OAPXNNAHLDRLTI-AQNXPRMDSA-N 1 3 367.578 2.893 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2(N4CCCC4)COC2)C3)cc1 ZINC001255127410 1041161344 /nfs/dbraw/zinc/16/13/44/1041161344.db2.gz VDVIFVVCLPGHSL-WKCHPHFGSA-N 1 3 355.526 2.636 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2(N4CCCC4)COC2)C3)cc1 ZINC001255127410 1041161357 /nfs/dbraw/zinc/16/13/57/1041161357.db2.gz VDVIFVVCLPGHSL-WKCHPHFGSA-N 1 3 355.526 2.636 20 0 FFADHO O=C1NCC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)O1 ZINC001255148758 1041171575 /nfs/dbraw/zinc/17/15/75/1041171575.db2.gz ZSEYDFGNEKTEQG-REPLKXPHSA-N 1 3 355.482 2.756 20 0 FFADHO O=C1NCC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)O1 ZINC001255148758 1041171582 /nfs/dbraw/zinc/17/15/82/1041171582.db2.gz ZSEYDFGNEKTEQG-REPLKXPHSA-N 1 3 355.482 2.756 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H](N2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001255366700 1041295404 /nfs/dbraw/zinc/29/54/04/1041295404.db2.gz VPOKSKGKPUFMOD-SFHLNBCPSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H](N2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001255366700 1041295413 /nfs/dbraw/zinc/29/54/13/1041295413.db2.gz VPOKSKGKPUFMOD-SFHLNBCPSA-N 1 3 366.546 2.931 20 0 FFADHO Cn1cc2c(n1)[C@H](C[NH2+][C@H]1CCCN(Cc3ccccc3)CC1)OCC2 ZINC001255383974 1041311661 /nfs/dbraw/zinc/31/16/61/1041311661.db2.gz QSHSOFRSJGUSNV-PMACEKPBSA-N 1 3 354.498 2.678 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001214755212 1041563234 /nfs/dbraw/zinc/56/32/34/1041563234.db2.gz VZMOQKINKPDEPQ-AYOQOUSVSA-N 1 3 367.484 2.751 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCCCCC2)C1)N(C)C ZINC001214905139 1041614801 /nfs/dbraw/zinc/61/48/01/1041614801.db2.gz ZWUPKHALYXFXPU-RLLQIKCJSA-N 1 3 367.578 2.749 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOc2cccc(C)c2)C1 ZINC001214999231 1041639635 /nfs/dbraw/zinc/63/96/35/1041639635.db2.gz BCWSXFRIGNXOGR-IEBWSBKVSA-N 1 3 361.530 2.541 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421405 1041776732 /nfs/dbraw/zinc/77/67/32/1041776732.db2.gz DLZMFQTZXUATHS-IEBWSBKVSA-N 1 3 361.530 2.752 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)s2)C1)[NH+](CC)CC ZINC001215516401 1041810876 /nfs/dbraw/zinc/81/08/76/1041810876.db2.gz GOGREUHIQCESIP-KBRIMQKVSA-N 1 3 352.548 2.508 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1)[NH+](CC)CC ZINC001215518596 1041812755 /nfs/dbraw/zinc/81/27/55/1041812755.db2.gz GTEBVNVKDKOLRO-OIISXLGYSA-N 1 3 366.937 2.792 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)s2)C1)C(C)C ZINC001215977153 1041922186 /nfs/dbraw/zinc/92/21/86/1041922186.db2.gz HXCJBHGTWALVPO-ZTFGCOKTSA-N 1 3 366.575 2.754 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCc3c2c(F)ccc3F)C1 ZINC001216221619 1041981577 /nfs/dbraw/zinc/98/15/77/1041981577.db2.gz JLHZNBFEVOVLRS-JEBQAFNWSA-N 1 3 365.468 2.730 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCc3c2c(F)ccc3F)C1 ZINC001216221619 1041981581 /nfs/dbraw/zinc/98/15/81/1041981581.db2.gz JLHZNBFEVOVLRS-JEBQAFNWSA-N 1 3 365.468 2.730 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cccc2Cl)C1 ZINC001216510863 1042044863 /nfs/dbraw/zinc/04/48/63/1042044863.db2.gz BELJMYIAYGORGC-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)c1ncoc1C1CC[NH2+]CC1 ZINC001263092521 1042097773 /nfs/dbraw/zinc/09/77/73/1042097773.db2.gz WKIDGOIIUJSSKT-UHFFFAOYSA-N 1 3 368.481 2.536 20 0 FFADHO C[NH2+]CCCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001263101679 1042104779 /nfs/dbraw/zinc/10/47/79/1042104779.db2.gz ZANIZDDZTJXSAQ-UHFFFAOYSA-N 1 3 367.921 2.689 20 0 FFADHO [NH3+]Cc1cc(NC(=O)c2cccc3c2OCCNC3)cc(C(F)(F)F)c1 ZINC001263107252 1042107276 /nfs/dbraw/zinc/10/72/76/1042107276.db2.gz SCQZGNJOMIVCQB-UHFFFAOYSA-N 1 3 365.355 2.898 20 0 FFADHO [NH3+]CC1([C@H]2CCCCN2C(=O)CC2(N3CCOCC3)CCCC2)CCC1 ZINC001263239592 1042193135 /nfs/dbraw/zinc/19/31/35/1042193135.db2.gz PJCAYTAWTBENJT-GOSISDBHSA-N 1 3 363.546 2.532 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1c1ccccc1)N(C)C ZINC001263887081 1042511140 /nfs/dbraw/zinc/51/11/40/1042511140.db2.gz IYNGMJJGQOZZJK-HBMCJLEFSA-N 1 3 357.542 2.957 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1)N(C)C ZINC001263887081 1042511143 /nfs/dbraw/zinc/51/11/43/1042511143.db2.gz IYNGMJJGQOZZJK-HBMCJLEFSA-N 1 3 357.542 2.957 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCC[C@@H]2CCOC2)C1 ZINC001264552042 1042712206 /nfs/dbraw/zinc/71/22/06/1042712206.db2.gz HSBQZYVETGODRO-GGPKGHCWSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)[C@@H]1C)N1CCCCC1 ZINC001264733610 1042815520 /nfs/dbraw/zinc/81/55/20/1042815520.db2.gz JBNWNPSNOQCXHH-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)[C@@H]1C)N1CCCCC1 ZINC001264733610 1042815524 /nfs/dbraw/zinc/81/55/24/1042815524.db2.gz JBNWNPSNOQCXHH-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCCN2Cc2ccns2)CC[N@@H+]1C ZINC001266216788 1042901778 /nfs/dbraw/zinc/90/17/78/1042901778.db2.gz UJTBRWQFEGHUMY-RYQLBKOJSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCCN2Cc2ccns2)CC[N@H+]1C ZINC001266216788 1042901782 /nfs/dbraw/zinc/90/17/82/1042901782.db2.gz UJTBRWQFEGHUMY-RYQLBKOJSA-N 1 3 364.559 2.734 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(Br)cc1O ZINC001279262935 1042972439 /nfs/dbraw/zinc/97/24/39/1042972439.db2.gz KNTRLQCCQBZCQH-BETUJISGSA-N 1 3 369.303 2.937 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(Br)cc1O ZINC001279262935 1042972442 /nfs/dbraw/zinc/97/24/42/1042972442.db2.gz KNTRLQCCQBZCQH-BETUJISGSA-N 1 3 369.303 2.937 20 0 FFADHO C[NH+](C)CCN1C[C@H]2CN(CCC34CC5CC(CC(C5)C3)C4)C[C@@H](C1)O2 ZINC001279275103 1042978441 /nfs/dbraw/zinc/97/84/41/1042978441.db2.gz DAXCFNOVGZQTPF-DGPYOYAPSA-N 1 3 361.574 2.540 20 0 FFADHO Cc1cc(Cl)ncc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279292591 1042987092 /nfs/dbraw/zinc/98/70/92/1042987092.db2.gz SBCNMXXGFCECGP-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO Cc1cc(Cl)ncc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279292591 1042987094 /nfs/dbraw/zinc/98/70/94/1042987094.db2.gz SBCNMXXGFCECGP-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO COc1ncc(F)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279316563 1042997261 /nfs/dbraw/zinc/99/72/61/1042997261.db2.gz QSGFKSKCLRJNKF-IYBDPMFKSA-N 1 3 358.461 2.901 20 0 FFADHO COc1ncc(F)cc1CN1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279316563 1042997262 /nfs/dbraw/zinc/99/72/62/1042997262.db2.gz QSGFKSKCLRJNKF-IYBDPMFKSA-N 1 3 358.461 2.901 20 0 FFADHO Cc1nn(C)c(Cl)c1CN1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279411906 1043075814 /nfs/dbraw/zinc/07/58/14/1043075814.db2.gz BMGXNWCMESGHIE-IBGZPJMESA-N 1 3 367.969 2.622 20 0 FFADHO COCCOC[N@@H+]1CCC2(C1)CCN(Cc1ncccc1Cl)CC2 ZINC001279448934 1043127525 /nfs/dbraw/zinc/12/75/25/1043127525.db2.gz XPFKGQBNMKBCMA-UHFFFAOYSA-N 1 3 353.894 2.643 20 0 FFADHO COCCOC[N@H+]1CCC2(C1)CCN(Cc1ncccc1Cl)CC2 ZINC001279448934 1043127532 /nfs/dbraw/zinc/12/75/32/1043127532.db2.gz XPFKGQBNMKBCMA-UHFFFAOYSA-N 1 3 353.894 2.643 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cc(C)ccc2OC(C)C)CCC12C[NH2+]C2 ZINC001237429633 1043154408 /nfs/dbraw/zinc/15/44/08/1043154408.db2.gz GHVXIORVEYLPIP-SFHVURJKSA-N 1 3 360.498 2.757 20 0 FFADHO COC(=O)[C@@H](C)CN1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001279517180 1043213435 /nfs/dbraw/zinc/21/34/35/1043213435.db2.gz IUAHBRKTTQSYGZ-GOEBONIOSA-N 1 3 350.425 2.926 20 0 FFADHO COC(=O)[C@@H](C)CN1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279517180 1043213439 /nfs/dbraw/zinc/21/34/39/1043213439.db2.gz IUAHBRKTTQSYGZ-GOEBONIOSA-N 1 3 350.425 2.926 20 0 FFADHO COC(=O)[C@@H](C)CN1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001279517182 1043214159 /nfs/dbraw/zinc/21/41/59/1043214159.db2.gz IUAHBRKTTQSYGZ-HOCLYGCPSA-N 1 3 350.425 2.926 20 0 FFADHO COC(=O)[C@@H](C)CN1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001279517182 1043214171 /nfs/dbraw/zinc/21/41/71/1043214171.db2.gz IUAHBRKTTQSYGZ-HOCLYGCPSA-N 1 3 350.425 2.926 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1ccnc(C(F)(F)F)c1)C2 ZINC001279566605 1043266399 /nfs/dbraw/zinc/26/63/99/1043266399.db2.gz LLERCWZORYCDDI-GOSISDBHSA-N 1 3 370.463 2.950 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4oc(C)nc4C)C[C@H]3CC2)n(C)n1 ZINC001279638993 1043381848 /nfs/dbraw/zinc/38/18/48/1043381848.db2.gz VKTSYMBZIIDULW-HDICACEKSA-N 1 3 357.502 2.677 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4oc(C)nc4C)C[C@H]3CC2)n(C)n1 ZINC001279638993 1043381852 /nfs/dbraw/zinc/38/18/52/1043381852.db2.gz VKTSYMBZIIDULW-HDICACEKSA-N 1 3 357.502 2.677 20 0 FFADHO CC(C)C1=NCCc2ccc(CN3CCO[C@H](C[NH+]4CCCC4)C3)cc21 ZINC001237879683 1043413127 /nfs/dbraw/zinc/41/31/27/1043413127.db2.gz OSJPRXPSEFYREX-HXUWFJFHSA-N 1 3 355.526 2.984 20 0 FFADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4cc(F)ccc4F)(C2)C3)CC1 ZINC001279828225 1043729717 /nfs/dbraw/zinc/72/97/17/1043729717.db2.gz MTZOSUVQUGLGFU-UHFFFAOYSA-N 1 3 363.452 2.530 20 0 FFADHO Fc1cc(F)cc(CCN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1 ZINC001278245547 1043759826 /nfs/dbraw/zinc/75/98/26/1043759826.db2.gz FCXOKUQTUOQTSJ-UHFFFAOYSA-N 1 3 360.452 2.802 20 0 FFADHO Cc1cccc(NCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC001311342360 1043895935 /nfs/dbraw/zinc/89/59/35/1043895935.db2.gz BWCXXBJTPSZWJJ-KRWDZBQOSA-N 1 3 371.485 2.921 20 0 FFADHO Cc1nc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ccc1Cl ZINC001279935733 1043944828 /nfs/dbraw/zinc/94/48/28/1043944828.db2.gz VNBICMQKFVFEGI-IBGZPJMESA-N 1 3 350.938 2.893 20 0 FFADHO Cc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCC([NH+](C)C)CC3)CC2)o1 ZINC001279936840 1043950000 /nfs/dbraw/zinc/95/00/00/1043950000.db2.gz RNCGLJWMIUMXHC-IBGZPJMESA-N 1 3 359.514 2.743 20 0 FFADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001312253473 1044078889 /nfs/dbraw/zinc/07/88/89/1044078889.db2.gz GNUBZKLNJUZPBS-WMQCIHAUSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001312253473 1044078900 /nfs/dbraw/zinc/07/89/00/1044078900.db2.gz GNUBZKLNJUZPBS-WMQCIHAUSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC001312823315 1044178002 /nfs/dbraw/zinc/17/80/02/1044178002.db2.gz JOSJVKVZJAABQZ-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001312823315 1044178006 /nfs/dbraw/zinc/17/80/06/1044178006.db2.gz JOSJVKVZJAABQZ-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001313135306 1044248171 /nfs/dbraw/zinc/24/81/71/1044248171.db2.gz CACXQCNAIQOJQC-AZUAARDMSA-N 1 3 360.546 2.736 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313135306 1044248184 /nfs/dbraw/zinc/24/81/84/1044248184.db2.gz CACXQCNAIQOJQC-AZUAARDMSA-N 1 3 360.546 2.736 20 0 FFADHO O=C(Nc1ccc2cnccc2c1)[C@@]12C[C@@H]1CCN2CC1CC[NH2+]CC1 ZINC001280137183 1044279964 /nfs/dbraw/zinc/27/99/64/1044279964.db2.gz IJUAPGGSMSEQOJ-GHTZIAJQSA-N 1 3 350.466 2.637 20 0 FFADHO CN1CCN(Cc2cccc(-c3ccc(O[C@@H]4CC[NH2+]C4)cc3)c2)CC1 ZINC001240303987 1044307019 /nfs/dbraw/zinc/30/70/19/1044307019.db2.gz RRFOHLVFVSMWRC-JOCHJYFZSA-N 1 3 351.494 2.842 20 0 FFADHO CN1CCN(Cc2ccc(-c3ccccc3Cn3cc[nH+]c3N)cc2)CC1 ZINC001240415154 1044335965 /nfs/dbraw/zinc/33/59/65/1044335965.db2.gz KPGGBIVDYQFOSZ-UHFFFAOYSA-N 1 3 361.493 2.928 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001313426621 1044354560 /nfs/dbraw/zinc/35/45/60/1044354560.db2.gz ZGQFTRNNQDUHAR-QHAWAJNXSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001313426621 1044354572 /nfs/dbraw/zinc/35/45/72/1044354572.db2.gz ZGQFTRNNQDUHAR-QHAWAJNXSA-N 1 3 372.557 2.533 20 0 FFADHO Oc1ccc(CCN2CCC[C@@]3(CC[N@H+](CCn4ccnc4)C3)C2)cc1 ZINC001280259883 1044488988 /nfs/dbraw/zinc/48/89/88/1044488988.db2.gz NKJQKQBHAUWGHX-OAQYLSRUSA-N 1 3 354.498 2.619 20 0 FFADHO Oc1ccc(CCN2CCC[C@@]3(CC[N@@H+](CCn4ccnc4)C3)C2)cc1 ZINC001280259883 1044488994 /nfs/dbraw/zinc/48/89/94/1044488994.db2.gz NKJQKQBHAUWGHX-OAQYLSRUSA-N 1 3 354.498 2.619 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2CCCc1ccccc1 ZINC001280277314 1044521833 /nfs/dbraw/zinc/52/18/33/1044521833.db2.gz GYVSNUUWGAXTHX-RBBKRZOGSA-N 1 3 357.542 2.884 20 0 FFADHO CCN1CCN(c2ccc(-c3ccccc3CN3CC[NH2+]CC3)cc2)CC1 ZINC001241745421 1044586095 /nfs/dbraw/zinc/58/60/95/1044586095.db2.gz NEDCXCBICWRMGD-UHFFFAOYSA-N 1 3 364.537 2.901 20 0 FFADHO COc1c(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ccc(F)c1F ZINC001280336194 1044624904 /nfs/dbraw/zinc/62/49/04/1044624904.db2.gz UEPVKXBIYGNAPY-FQEVSTJZSA-N 1 3 367.484 2.823 20 0 FFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)CC2)CC1 ZINC001318543781 1044737861 /nfs/dbraw/zinc/73/78/61/1044737861.db2.gz CETBBILCQZDCAW-BTRQGYIVSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1cnoc1C)N(C)C ZINC001316713911 1044822230 /nfs/dbraw/zinc/82/22/30/1044822230.db2.gz IGINKQAIGWNVJH-AYOQOUSVSA-N 1 3 364.534 2.820 20 0 FFADHO O=C(c1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1F)N1CCCCC1 ZINC001243295826 1044908928 /nfs/dbraw/zinc/90/89/28/1044908928.db2.gz MGPJKNGHLLWBFS-UHFFFAOYSA-N 1 3 368.456 2.923 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C)CC[N@@H+]1C ZINC001319916752 1045301837 /nfs/dbraw/zinc/30/18/37/1045301837.db2.gz QUFJVHNCGOCRTE-MELADBBJSA-N 1 3 350.334 2.766 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC=C(Cl)Cl)C(C)C)CC[N@H+]1C ZINC001319916752 1045301843 /nfs/dbraw/zinc/30/18/43/1045301843.db2.gz QUFJVHNCGOCRTE-MELADBBJSA-N 1 3 350.334 2.766 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)o1 ZINC001318465720 1045307468 /nfs/dbraw/zinc/30/74/68/1045307468.db2.gz RQNURIXSTLICBE-ZWKOTPCHSA-N 1 3 350.507 2.534 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001322845529 1046245533 /nfs/dbraw/zinc/24/55/33/1046245533.db2.gz NTSQQZZKMUYQIV-LSTHTHJFSA-N 1 3 373.545 2.779 20 0 FFADHO Cc1ncc(CN2CCC(C)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001324864551 1046261233 /nfs/dbraw/zinc/26/12/33/1046261233.db2.gz NZBMZAWXDNWQGB-RHSMWYFYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(CN2CCC(C)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001324864551 1046261244 /nfs/dbraw/zinc/26/12/44/1046261244.db2.gz NZBMZAWXDNWQGB-RHSMWYFYSA-N 1 3 364.559 2.510 20 0 FFADHO C[NH2+][C@@H](C)CCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001325323286 1046469066 /nfs/dbraw/zinc/46/90/66/1046469066.db2.gz DYGKAEZSZOWSCD-AWEZNQCLSA-N 1 3 374.451 2.777 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC001326357006 1046896683 /nfs/dbraw/zinc/89/66/83/1046896683.db2.gz SDSIWHBDWKQNQI-FQEVSTJZSA-N 1 3 352.482 2.857 20 0 FFADHO CN(CCc1ccccc1)CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001540373368 1070866339 /nfs/dbraw/zinc/86/63/39/1070866339.db2.gz GQGRJLFHGMUXHQ-IBGZPJMESA-N 1 3 355.482 2.707 20 0 FFADHO CN(C)Cc1ccc(-c2noc(C3(C(F)(F)F)CC[NH2+]CC3)n2)cc1 ZINC001332006379 1048207405 /nfs/dbraw/zinc/20/74/05/1048207405.db2.gz DKUGQAZDURAQMR-UHFFFAOYSA-N 1 3 354.376 2.982 20 0 FFADHO O=C(CN1CCCC2(CC[NH2+]CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC001332424684 1048389661 /nfs/dbraw/zinc/38/96/61/1048389661.db2.gz PIYIZMALJKZNHI-UHFFFAOYSA-N 1 3 366.509 2.518 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001290866986 1048459170 /nfs/dbraw/zinc/45/91/70/1048459170.db2.gz FSICFWNSMUSGNI-QGZVFWFLSA-N 1 3 353.576 2.586 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001290866986 1048459178 /nfs/dbraw/zinc/45/91/78/1048459178.db2.gz FSICFWNSMUSGNI-QGZVFWFLSA-N 1 3 353.576 2.586 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001329443255 1048720574 /nfs/dbraw/zinc/72/05/74/1048720574.db2.gz YIJFPRHLLZFVCL-NZSAHSFTSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccc(OC)c(C)c2)CC[N@H+]1C ZINC001329443255 1048720591 /nfs/dbraw/zinc/72/05/91/1048720591.db2.gz YIJFPRHLLZFVCL-NZSAHSFTSA-N 1 3 361.530 2.670 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCN3CCc4ccccc4C3)C[N@@H+]2C1 ZINC001540850812 1071019793 /nfs/dbraw/zinc/01/97/93/1071019793.db2.gz MUYIWVMVEARILC-DUXKGJEZSA-N 1 3 355.526 2.671 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCN3CCc4ccccc4C3)C[N@H+]2C1 ZINC001540850812 1071019810 /nfs/dbraw/zinc/01/98/10/1071019810.db2.gz MUYIWVMVEARILC-DUXKGJEZSA-N 1 3 355.526 2.671 20 0 FFADHO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCN(C)C1 ZINC001294199342 1049707148 /nfs/dbraw/zinc/70/71/48/1049707148.db2.gz UDEGZWFVPYCYBP-VQTJNVASSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCN(C)C1 ZINC001294199342 1049707155 /nfs/dbraw/zinc/70/71/55/1049707155.db2.gz UDEGZWFVPYCYBP-VQTJNVASSA-N 1 3 355.526 2.841 20 0 FFADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001294692833 1049795121 /nfs/dbraw/zinc/79/51/21/1049795121.db2.gz DJLILWZCMNREQG-YQVWRLOYSA-N 1 3 362.566 2.770 20 0 FFADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001294692833 1049795127 /nfs/dbraw/zinc/79/51/27/1049795127.db2.gz DJLILWZCMNREQG-YQVWRLOYSA-N 1 3 362.566 2.770 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCCCC[NH+]2CCCC2)C[C@H]1C ZINC001295981871 1050008975 /nfs/dbraw/zinc/00/89/75/1050008975.db2.gz SGTBPMYCOLOGTD-MSOLQXFVSA-N 1 3 362.566 2.772 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001295994084 1050010810 /nfs/dbraw/zinc/01/08/10/1050010810.db2.gz IVDXCQIZFYCXLG-ULQDDVLXSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001295994084 1050010812 /nfs/dbraw/zinc/01/08/12/1050010812.db2.gz IVDXCQIZFYCXLG-ULQDDVLXSA-N 1 3 360.550 2.559 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001296043096 1050015293 /nfs/dbraw/zinc/01/52/93/1050015293.db2.gz DVCMQBQQBLIKAY-DYESRHJHSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001541563625 1071123340 /nfs/dbraw/zinc/12/33/40/1071123340.db2.gz TYQGOQBNCDCPNM-QGZVFWFLSA-N 1 3 364.582 2.595 20 0 FFADHO CCN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000663847751 1050272664 /nfs/dbraw/zinc/27/26/64/1050272664.db2.gz WKBJPVGHQCAEKL-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000663847751 1050272680 /nfs/dbraw/zinc/27/26/80/1050272680.db2.gz WKBJPVGHQCAEKL-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)Cc1cccc(NC(=O)c2cnc(CC3CC[NH2+]CC3)s2)c1 ZINC001340041823 1050452971 /nfs/dbraw/zinc/45/29/71/1050452971.db2.gz PISVPIFWAVKIIY-UHFFFAOYSA-N 1 3 358.511 2.999 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1ccc([C@H]2CCCC[NH2+]2)n1C)c1ccccc1 ZINC001340774824 1051125572 /nfs/dbraw/zinc/12/55/72/1051125572.db2.gz VYCOTKUSANHBTO-XLIONFOSSA-N 1 3 354.498 2.872 20 0 FFADHO CC[C@H](C(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21)[NH+](CC)CC ZINC001342757743 1051373735 /nfs/dbraw/zinc/37/37/35/1051373735.db2.gz NQSUASYEJLLWOT-JENIJYKNSA-N 1 3 359.514 2.616 20 0 FFADHO Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H](c1cccs1)N(C)C ZINC001304806648 1051711716 /nfs/dbraw/zinc/71/17/16/1051711716.db2.gz FLNJMFLNCXOZQI-XIRDDKMYSA-N 1 3 374.558 2.624 20 0 FFADHO Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](c1cccs1)N(C)C ZINC001304806648 1051711728 /nfs/dbraw/zinc/71/17/28/1051711728.db2.gz FLNJMFLNCXOZQI-XIRDDKMYSA-N 1 3 374.558 2.624 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc3c2OCCNC3)C1 ZINC001343376754 1052193284 /nfs/dbraw/zinc/19/32/84/1052193284.db2.gz MHIAEDPSWUGOEN-IAGOWNOFSA-N 1 3 359.514 2.657 20 0 FFADHO O[C@@]1(CN2CCCN(c3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001307424971 1052306086 /nfs/dbraw/zinc/30/60/86/1052306086.db2.gz YGXKMQUZGXGSOG-HSZRJFAPSA-N 1 3 365.521 2.836 20 0 FFADHO O[C@@]1(CN2CCCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001307424971 1052306093 /nfs/dbraw/zinc/30/60/93/1052306093.db2.gz YGXKMQUZGXGSOG-HSZRJFAPSA-N 1 3 365.521 2.836 20 0 FFADHO Cc1nc(N2CCCCC2)sc1CN1CCC(OCCC[NH3+])CC1 ZINC001345944623 1052681442 /nfs/dbraw/zinc/68/14/42/1052681442.db2.gz SVIACVVWINLAAO-UHFFFAOYSA-N 1 3 352.548 2.772 20 0 FFADHO CN(C)CC[NH+]1CCC(CNCc2csc(C(F)(F)F)n2)CC1 ZINC001335440574 1053364490 /nfs/dbraw/zinc/36/44/90/1053364490.db2.gz GRRGLEHALUBNIA-UHFFFAOYSA-N 1 3 350.454 2.525 20 0 FFADHO Cc1ccc([C@H](O)C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001336803780 1054240924 /nfs/dbraw/zinc/24/09/24/1054240924.db2.gz JGTWBAZPSLNDEG-OAQYLSRUSA-N 1 3 354.494 2.645 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001337135209 1054506889 /nfs/dbraw/zinc/50/68/89/1054506889.db2.gz DAUPGGFJXRTSAH-LJQANCHMSA-N 1 3 373.545 2.671 20 0 FFADHO CC[NH+](CC)CC[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2N)c1ccccc1 ZINC001356500080 1055539261 /nfs/dbraw/zinc/53/92/61/1055539261.db2.gz YDMRYRHDRUEUGD-QZTJIDSGSA-N 1 3 369.513 2.880 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)N2CCCC2)cc1 ZINC001338491949 1055565068 /nfs/dbraw/zinc/56/50/68/1055565068.db2.gz QEVRFHCVNWVOFU-SXLOBPIMSA-N 1 3 358.530 2.758 20 0 FFADHO O=C(CC[NH2+]C1CCN(C2CCOCC2)CC1)Nc1cc(F)cc(F)c1 ZINC001338504115 1055576111 /nfs/dbraw/zinc/57/61/11/1055576111.db2.gz AQXYWLXRCIKLCL-UHFFFAOYSA-N 1 3 367.440 2.526 20 0 FFADHO CN(C)[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000849053555 1055603139 /nfs/dbraw/zinc/60/31/39/1055603139.db2.gz VTEMSHFOEVJZDJ-LJQANCHMSA-N 1 3 369.513 2.661 20 0 FFADHO C[C@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000849087558 1055635409 /nfs/dbraw/zinc/63/54/09/1055635409.db2.gz AVQUKPJRIZFXIC-IFMALSPDSA-N 1 3 370.541 2.970 20 0 FFADHO C[C@@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCCC[C@H]1O ZINC000849096760 1055638788 /nfs/dbraw/zinc/63/87/88/1055638788.db2.gz QYRWGCPGMUDEGY-CTNGQTDRSA-N 1 3 358.530 2.706 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC001338810421 1055837061 /nfs/dbraw/zinc/83/70/61/1055837061.db2.gz ZSSFGTXWCLVYFV-WOJBJXKFSA-N 1 3 374.598 2.988 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2c1OCCNC2 ZINC001357350876 1055874630 /nfs/dbraw/zinc/87/46/30/1055874630.db2.gz MCMFHOAKFYQVRM-UHFFFAOYSA-N 1 3 367.493 2.939 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc2c1OCCNC2 ZINC001357350876 1055874637 /nfs/dbraw/zinc/87/46/37/1055874637.db2.gz MCMFHOAKFYQVRM-UHFFFAOYSA-N 1 3 367.493 2.939 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001499460891 1058324340 /nfs/dbraw/zinc/32/43/40/1058324340.db2.gz QJVVMFBYYSPILF-IBGZPJMESA-N 1 3 374.577 2.916 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001499460891 1058324356 /nfs/dbraw/zinc/32/43/56/1058324356.db2.gz QJVVMFBYYSPILF-IBGZPJMESA-N 1 3 374.577 2.916 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCOC1CCCCCC1 ZINC001505922224 1059417446 /nfs/dbraw/zinc/41/74/46/1059417446.db2.gz KBKGVBNXQYLPIZ-ZHALLVOQSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCOC1CCCCCC1 ZINC001505922224 1059417454 /nfs/dbraw/zinc/41/74/54/1059417454.db2.gz KBKGVBNXQYLPIZ-ZHALLVOQSA-N 1 3 353.551 2.503 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC001547634862 1071979763 /nfs/dbraw/zinc/97/97/63/1071979763.db2.gz AOMGUQSRHSBSLJ-ABSDTBQOSA-N 1 3 370.545 2.808 20 0 FFADHO COc1ccc(COCCN2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001460936080 1061155865 /nfs/dbraw/zinc/15/58/65/1061155865.db2.gz BPYVRONSJIGHJK-UHFFFAOYSA-N 1 3 362.514 2.525 20 0 FFADHO CC(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001359718216 1061698202 /nfs/dbraw/zinc/69/82/02/1061698202.db2.gz WFZHWVOZFKGUKJ-UHFFFAOYSA-N 1 3 374.577 2.950 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccc(C)c(OC)c2)CC[N@@H+]1C ZINC001492955879 1062271486 /nfs/dbraw/zinc/27/14/86/1062271486.db2.gz BHUZBYZRROTKTK-RBUKOAKNSA-N 1 3 361.530 2.672 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccc(C)c(OC)c2)CC[N@H+]1C ZINC001492955879 1062271506 /nfs/dbraw/zinc/27/15/06/1062271506.db2.gz BHUZBYZRROTKTK-RBUKOAKNSA-N 1 3 361.530 2.672 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(Cl)cc1F ZINC001494981082 1063419832 /nfs/dbraw/zinc/41/98/32/1063419832.db2.gz LCTGMRKMCFXVFQ-UHOFOFEASA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(Cl)cc1F ZINC001494981082 1063419839 /nfs/dbraw/zinc/41/98/39/1063419839.db2.gz LCTGMRKMCFXVFQ-UHOFOFEASA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2ccc(Cl)s2)CC[N@@H+]1C ZINC001497585164 1063729606 /nfs/dbraw/zinc/72/96/06/1063729606.db2.gz GBUTWSLQWUPESV-SSBHQGKESA-N 1 3 355.935 2.894 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2ccc(Cl)s2)CC[N@H+]1C ZINC001497585164 1063729615 /nfs/dbraw/zinc/72/96/15/1063729615.db2.gz GBUTWSLQWUPESV-SSBHQGKESA-N 1 3 355.935 2.894 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC001470079333 1064254354 /nfs/dbraw/zinc/25/43/54/1064254354.db2.gz HTUKSBREBVGVSH-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC001470079333 1064254358 /nfs/dbraw/zinc/25/43/58/1064254358.db2.gz HTUKSBREBVGVSH-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC1(C)C ZINC001470650866 1064398862 /nfs/dbraw/zinc/39/88/62/1064398862.db2.gz SHSWXHPHWVJHQI-GOSISDBHSA-N 1 3 361.505 2.980 20 0 FFADHO C[N@H+]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC1(C)C ZINC001470650866 1064398872 /nfs/dbraw/zinc/39/88/72/1064398872.db2.gz SHSWXHPHWVJHQI-GOSISDBHSA-N 1 3 361.505 2.980 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccc(F)cc1F ZINC001470771733 1064444491 /nfs/dbraw/zinc/44/44/91/1064444491.db2.gz KOPLFVYALJWDJS-AWEZNQCLSA-N 1 3 370.488 2.771 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccc(F)cc1F ZINC001470771733 1064444506 /nfs/dbraw/zinc/44/45/06/1064444506.db2.gz KOPLFVYALJWDJS-AWEZNQCLSA-N 1 3 370.488 2.771 20 0 FFADHO CC(C)N1CCC[C@H](N2CCC3(CC2)C[C@@H]([NH3+])c2ccccc2O3)C1=O ZINC001575700031 1078165103 /nfs/dbraw/zinc/16/51/03/1078165103.db2.gz NBDRKQPLHYGOPI-MSOLQXFVSA-N 1 3 357.498 2.703 20 0 FFADHO C[C@@H]1CN(CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)CN1CCO ZINC001473564098 1065286157 /nfs/dbraw/zinc/28/61/57/1065286157.db2.gz IYTRXXDOESBNBF-NHCUHLMSSA-N 1 3 373.585 2.718 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001576734864 1078267931 /nfs/dbraw/zinc/26/79/31/1078267931.db2.gz KUJPAGBGTQXICR-XLIONFOSSA-N 1 3 355.526 2.793 20 0 FFADHO CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC=C(C)C)C[C@@H]1C ZINC001577760126 1078397366 /nfs/dbraw/zinc/39/73/66/1078397366.db2.gz MOOKUWFHEAVLLE-XLAORIBOSA-N 1 3 360.550 2.758 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc(C(C)(C)N)no1)Cc1ccncc1 ZINC001577771406 1078398923 /nfs/dbraw/zinc/39/89/23/1078398923.db2.gz XBBVPJYWHFXOOL-QGZVFWFLSA-N 1 3 357.502 2.750 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(Cc1cc(C(C)(C)N)no1)Cc1ccncc1 ZINC001577771406 1078398926 /nfs/dbraw/zinc/39/89/26/1078398926.db2.gz XBBVPJYWHFXOOL-QGZVFWFLSA-N 1 3 357.502 2.750 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCCC[NH3+])C[C@@H]1C ZINC001577760431 1078397289 /nfs/dbraw/zinc/39/72/89/1078397289.db2.gz UNOXGPBZSCCVNS-JKSUJKDBSA-N 1 3 350.555 2.525 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001579447734 1078630920 /nfs/dbraw/zinc/63/09/20/1078630920.db2.gz QOIXXHPYCXQTQQ-GDBMZVCRSA-N 1 3 371.447 2.841 20 0 FFADHO [NH3+][C@@H](CC1CCCCC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001580124665 1078752404 /nfs/dbraw/zinc/75/24/04/1078752404.db2.gz VCOOCJGVXZXSCC-KRWDZBQOSA-N 1 3 353.576 2.762 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC001580199901 1078764478 /nfs/dbraw/zinc/76/44/78/1078764478.db2.gz MYBARVSXKHUXPJ-ZSGPHXLJSA-N 1 3 356.869 2.873 20 0 FFADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)n[nH]1 ZINC001550349489 1074223183 /nfs/dbraw/zinc/22/31/83/1074223183.db2.gz PDSVLCATMZVCLC-YGWPLHOASA-N 1 3 369.513 2.691 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3cccc4[nH]ccc43)CC2)C1 ZINC001550351766 1074224663 /nfs/dbraw/zinc/22/46/63/1074224663.db2.gz DFAMBNAAVMKGEZ-INIZCTEOSA-N 1 3 354.498 2.545 20 0 FFADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(F)cc1C ZINC001550422221 1074260020 /nfs/dbraw/zinc/26/00/20/1074260020.db2.gz QAGPTUURVRZYKG-BWPNAZKDSA-N 1 3 350.478 2.712 20 0 FFADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(F)cc1C ZINC001550422221 1074260026 /nfs/dbraw/zinc/26/00/26/1074260026.db2.gz QAGPTUURVRZYKG-BWPNAZKDSA-N 1 3 350.478 2.712 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(C(F)F)nc3)C2)[C@H]1C(C)C ZINC001550422649 1074260966 /nfs/dbraw/zinc/26/09/66/1074260966.db2.gz BDDIOWILLIODJG-BMFAXAFESA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(C(F)F)nc3)C2)[C@H]1C(C)C ZINC001550422649 1074260969 /nfs/dbraw/zinc/26/09/69/1074260969.db2.gz BDDIOWILLIODJG-BMFAXAFESA-N 1 3 353.457 2.979 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550423196 1074263004 /nfs/dbraw/zinc/26/30/04/1074263004.db2.gz JBBBHBXERCWLQC-MLNNCEHLSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550423196 1074263007 /nfs/dbraw/zinc/26/30/07/1074263007.db2.gz JBBBHBXERCWLQC-MLNNCEHLSA-N 1 3 368.525 2.750 20 0 FFADHO Cn1nccc1[C@@H]1[C@@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCCN1C ZINC001550473871 1074291269 /nfs/dbraw/zinc/29/12/69/1074291269.db2.gz RXNRSGHVSBCNQQ-HDAAZOAOSA-N 1 3 359.562 2.561 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC2CC(C[NH3+])C2)CC1 ZINC001550704277 1074442216 /nfs/dbraw/zinc/44/22/16/1074442216.db2.gz MEKBDGQPOLFJOY-UHFFFAOYSA-N 1 3 366.893 2.672 20 0 FFADHO CC1(N2CCOCC2)CCC(NC(=O)Nc2ccc([C@H]3C[C@H]3[NH3+])cc2)CC1 ZINC001550705871 1074442595 /nfs/dbraw/zinc/44/25/95/1074442595.db2.gz KJIFFUGDTIBYBW-XTBIFASLSA-N 1 3 372.513 2.656 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC001550895397 1074521400 /nfs/dbraw/zinc/52/14/00/1074521400.db2.gz MKQKVUFQENIPJK-LJISPDSOSA-N 1 3 361.452 2.590 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC001550895397 1074521408 /nfs/dbraw/zinc/52/14/08/1074521408.db2.gz MKQKVUFQENIPJK-LJISPDSOSA-N 1 3 361.452 2.590 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccc(F)cc3)C[N@@H+]2C1 ZINC001584084524 1079304250 /nfs/dbraw/zinc/30/42/50/1079304250.db2.gz OCZLLQAVYUTGFE-POAQFYNOSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccc(F)cc3)C[N@H+]2C1 ZINC001584084524 1079304257 /nfs/dbraw/zinc/30/42/57/1079304257.db2.gz OCZLLQAVYUTGFE-POAQFYNOSA-N 1 3 361.505 2.836 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3C[C@H]([NH+](C)C)C3(C)C)cc2)CC1 ZINC001557153883 1075815758 /nfs/dbraw/zinc/81/57/58/1075815758.db2.gz CWDFWZCZLIAGDJ-PMACEKPBSA-N 1 3 372.557 2.676 20 0 FFADHO COCc1cccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)c1 ZINC001560308960 1076262177 /nfs/dbraw/zinc/26/21/77/1076262177.db2.gz KHTUOHJVBQFVRV-UHFFFAOYSA-N 1 3 353.510 2.870 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2c[nH]nc2-c2cccs2)C1 ZINC001560436373 1076273089 /nfs/dbraw/zinc/27/30/89/1076273089.db2.gz CVZKIZOOBBLAFY-GOSISDBHSA-N 1 3 368.506 2.995 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2c[nH]nc2-c2cccs2)C1 ZINC001560436373 1076273093 /nfs/dbraw/zinc/27/30/93/1076273093.db2.gz CVZKIZOOBBLAFY-GOSISDBHSA-N 1 3 368.506 2.995 20 0 FFADHO CC[C@H](CNC(=O)N1CC[N@H+](C)C(C)(C)CC1)N1CCc2ccccc2C1 ZINC001563461310 1076556604 /nfs/dbraw/zinc/55/66/04/1076556604.db2.gz GAVJBGSIQXCFND-HXUWFJFHSA-N 1 3 372.557 2.949 20 0 FFADHO CC[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)N1CCc2ccccc2C1 ZINC001563461310 1076556606 /nfs/dbraw/zinc/55/66/06/1076556606.db2.gz GAVJBGSIQXCFND-HXUWFJFHSA-N 1 3 372.557 2.949 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CC[N@H+](C)C1 ZINC001563637900 1076571799 /nfs/dbraw/zinc/57/17/99/1076571799.db2.gz LRDZDRAWCLTLHV-WOJBJXKFSA-N 1 3 360.546 2.977 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC001563637900 1076571802 /nfs/dbraw/zinc/57/18/02/1076571802.db2.gz LRDZDRAWCLTLHV-WOJBJXKFSA-N 1 3 360.546 2.977 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001565056714 1076681116 /nfs/dbraw/zinc/68/11/16/1076681116.db2.gz KELJWUGSWTUWCM-FXAWDEMLSA-N 1 3 360.546 2.505 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001565056714 1076681119 /nfs/dbraw/zinc/68/11/19/1076681119.db2.gz KELJWUGSWTUWCM-FXAWDEMLSA-N 1 3 360.546 2.505 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001565979068 1076824434 /nfs/dbraw/zinc/82/44/34/1076824434.db2.gz DYGBWKXDEXIBFF-QUCCMNQESA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@](C)(CNCc2cc(F)ccc2F)C2CC2)CC[N@@H+]1C ZINC001568020008 1077067523 /nfs/dbraw/zinc/06/75/23/1077067523.db2.gz NDDLRSYXJWEUCK-YXKFXFPPSA-N 1 3 365.468 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@](C)(CNCc2cc(F)ccc2F)C2CC2)CC[N@H+]1C ZINC001568020008 1077067527 /nfs/dbraw/zinc/06/75/27/1077067527.db2.gz NDDLRSYXJWEUCK-YXKFXFPPSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@H](CC(F)(F)F)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000448853869 513934101 /nfs/dbraw/zinc/93/41/01/513934101.db2.gz RDUYXBVBHIWWPX-CABCVRRESA-N 1 3 351.457 2.840 20 0 FFADHO CC[C@H](CC(F)(F)F)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000448853869 513934106 /nfs/dbraw/zinc/93/41/06/513934106.db2.gz RDUYXBVBHIWWPX-CABCVRRESA-N 1 3 351.457 2.840 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000423156136 514063702 /nfs/dbraw/zinc/06/37/02/514063702.db2.gz MDVXFEDIMDKIJB-JLJPHGGASA-N 1 3 355.320 2.626 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423156136 514063709 /nfs/dbraw/zinc/06/37/09/514063709.db2.gz MDVXFEDIMDKIJB-JLJPHGGASA-N 1 3 355.320 2.626 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000093135661 250017468 /nfs/dbraw/zinc/01/74/68/250017468.db2.gz DYYAXMKPXBITAV-UHFFFAOYSA-N 1 3 373.545 2.719 20 0 FFADHO COCCOc1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735137 250041194 /nfs/dbraw/zinc/04/11/94/250041194.db2.gz XIEWINNOXATAQA-UHFFFAOYSA-N 1 3 362.514 2.789 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103321230 250146232 /nfs/dbraw/zinc/14/62/32/250146232.db2.gz SUMWPSHFMBWCEA-UHFFFAOYSA-N 1 3 364.509 2.631 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000153238637 251117246 /nfs/dbraw/zinc/11/72/46/251117246.db2.gz OYZRQSBMXPTEMC-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173564268 251207488 /nfs/dbraw/zinc/20/74/88/251207488.db2.gz BIVSCSZJQYCWMF-OAQYLSRUSA-N 1 3 368.525 2.828 20 0 FFADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000252651919 251310675 /nfs/dbraw/zinc/31/06/75/251310675.db2.gz WMEVDOSPWGHGMJ-WSTZPKSXSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000252651919 251310679 /nfs/dbraw/zinc/31/06/79/251310679.db2.gz WMEVDOSPWGHGMJ-WSTZPKSXSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)N1[C@H](C)CC[C@H]1C ZINC000268770844 251380071 /nfs/dbraw/zinc/38/00/71/251380071.db2.gz BIRWBMSLLRNCAS-BRWVUGGUSA-N 1 3 373.545 2.812 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000268791057 251385637 /nfs/dbraw/zinc/38/56/37/251385637.db2.gz GCZXVHXJLAPKSS-AZUAARDMSA-N 1 3 361.530 2.766 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000268791057 251385640 /nfs/dbraw/zinc/38/56/40/251385640.db2.gz GCZXVHXJLAPKSS-AZUAARDMSA-N 1 3 361.530 2.766 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000272288978 252002080 /nfs/dbraw/zinc/00/20/80/252002080.db2.gz MDWFCLRRGDBWRN-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272438725 252038632 /nfs/dbraw/zinc/03/86/32/252038632.db2.gz KQNLAJMUYDNWAQ-PXNSSMCTSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000278508047 256320374 /nfs/dbraw/zinc/32/03/74/256320374.db2.gz RBTQDBWIKLYRJT-MJGOQNOKSA-N 1 3 371.529 2.680 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278531326 256322479 /nfs/dbraw/zinc/32/24/79/256322479.db2.gz FBWMWNYFWAAGMC-YADHBBJMSA-N 1 3 359.558 2.941 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278531326 256322480 /nfs/dbraw/zinc/32/24/80/256322480.db2.gz FBWMWNYFWAAGMC-YADHBBJMSA-N 1 3 359.558 2.941 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285961420 257013351 /nfs/dbraw/zinc/01/33/51/257013351.db2.gz NDQJYJWJLTUDBP-XZOQPEGZSA-N 1 3 370.585 2.753 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285961420 257013352 /nfs/dbraw/zinc/01/33/52/257013352.db2.gz NDQJYJWJLTUDBP-XZOQPEGZSA-N 1 3 370.585 2.753 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000287768740 257110219 /nfs/dbraw/zinc/11/02/19/257110219.db2.gz RLAWWRXJCREAGW-FUHWJXTLSA-N 1 3 372.431 2.843 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000288291996 257171363 /nfs/dbraw/zinc/17/13/63/257171363.db2.gz XNJUWTYUNDUFIS-LFGUQSLTSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000288291996 257171365 /nfs/dbraw/zinc/17/13/65/257171365.db2.gz XNJUWTYUNDUFIS-LFGUQSLTSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000288291999 257171568 /nfs/dbraw/zinc/17/15/68/257171568.db2.gz XNJUWTYUNDUFIS-PIKOESSRSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000288291999 257171570 /nfs/dbraw/zinc/17/15/70/257171570.db2.gz XNJUWTYUNDUFIS-PIKOESSRSA-N 1 3 358.530 2.774 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000289650754 257292183 /nfs/dbraw/zinc/29/21/83/257292183.db2.gz CHYMKNJFHBUGEX-RTBURBONSA-N 1 3 367.497 2.577 20 0 FFADHO Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc(C)c1O ZINC000289858242 257303168 /nfs/dbraw/zinc/30/31/68/257303168.db2.gz QKIRTKSNYHYWER-UHFFFAOYSA-N 1 3 373.541 2.823 20 0 FFADHO C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000290271122 257323202 /nfs/dbraw/zinc/32/32/02/257323202.db2.gz LLYRPRFKPDPOSY-NYSBEXSLSA-N 1 3 356.466 2.772 20 0 FFADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000293823457 257563194 /nfs/dbraw/zinc/56/31/94/257563194.db2.gz WMYOTWBEAORKFD-QGZVFWFLSA-N 1 3 367.559 2.854 20 0 FFADHO CC[C@H](CS(=O)(=O)c1ccccc1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000297705174 257853837 /nfs/dbraw/zinc/85/38/37/257853837.db2.gz QTMXURDKYUOKFC-QGZVFWFLSA-N 1 3 373.522 2.893 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000311264832 258115510 /nfs/dbraw/zinc/11/55/10/258115510.db2.gz AFSGUFSBUGJNLB-ZJPYXAASSA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000311264832 258115511 /nfs/dbraw/zinc/11/55/11/258115511.db2.gz AFSGUFSBUGJNLB-ZJPYXAASSA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000311264832 258115512 /nfs/dbraw/zinc/11/55/12/258115512.db2.gz AFSGUFSBUGJNLB-ZJPYXAASSA-N 1 3 367.534 2.617 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311396178 258115690 /nfs/dbraw/zinc/11/56/90/258115690.db2.gz PBUTZCNJPTYUCB-RTWAWAEBSA-N 1 3 351.494 2.585 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311396178 258115691 /nfs/dbraw/zinc/11/56/91/258115691.db2.gz PBUTZCNJPTYUCB-RTWAWAEBSA-N 1 3 351.494 2.585 20 0 FFADHO C[NH+](C)CC1(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CCCCC1 ZINC000331703335 258197051 /nfs/dbraw/zinc/19/70/51/258197051.db2.gz YIUXTRKYWPIDLS-LJQANCHMSA-N 1 3 359.514 2.704 20 0 FFADHO C[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000375023957 512126459 /nfs/dbraw/zinc/12/64/59/512126459.db2.gz WAPSHDSUCMKAIW-NQIIRXRSSA-N 1 3 367.541 2.545 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000375023957 512126460 /nfs/dbraw/zinc/12/64/60/512126460.db2.gz WAPSHDSUCMKAIW-NQIIRXRSSA-N 1 3 367.541 2.545 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000375023957 512126464 /nfs/dbraw/zinc/12/64/64/512126464.db2.gz WAPSHDSUCMKAIW-NQIIRXRSSA-N 1 3 367.541 2.545 20 0 FFADHO COc1cccc(C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C2CC2)c1 ZINC000370982816 512163841 /nfs/dbraw/zinc/16/38/41/512163841.db2.gz RQKVXQYWXBCARR-KNQAVFIVSA-N 1 3 357.542 2.774 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000066175027 506434523 /nfs/dbraw/zinc/43/45/23/506434523.db2.gz HMGQAQBFFCHGJJ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCC[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000043111822 506701878 /nfs/dbraw/zinc/70/18/78/506701878.db2.gz SEZWEPUKOJAXIQ-HXUWFJFHSA-N 1 3 374.529 2.617 20 0 FFADHO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000043238274 506719953 /nfs/dbraw/zinc/71/99/53/506719953.db2.gz NDLRBVSZDUIYSC-IBGZPJMESA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000043238274 506719954 /nfs/dbraw/zinc/71/99/54/506719954.db2.gz NDLRBVSZDUIYSC-IBGZPJMESA-N 1 3 356.514 2.531 20 0 FFADHO CN1CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000044533934 506854217 /nfs/dbraw/zinc/85/42/17/506854217.db2.gz KAFMHGQMIWTUBI-LBPRGKRZSA-N 1 3 355.276 2.652 20 0 FFADHO CN1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000057632247 507296726 /nfs/dbraw/zinc/29/67/26/507296726.db2.gz KFTKPKNUMKTPRF-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)C1 ZINC000047885513 507407395 /nfs/dbraw/zinc/40/73/95/507407395.db2.gz NBCWMHWWCGFAOO-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)C1 ZINC000047885513 507407402 /nfs/dbraw/zinc/40/74/02/507407402.db2.gz NBCWMHWWCGFAOO-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000050801871 507715317 /nfs/dbraw/zinc/71/53/17/507715317.db2.gz NSOVPKDQMKZCHQ-UHFFFAOYSA-N 1 3 369.431 2.994 20 0 FFADHO C[C@H]1CCC[C@](CNC(=O)c2ccccc2OCCN(C)C)([NH+](C)C)C1 ZINC000063802755 507772101 /nfs/dbraw/zinc/77/21/01/507772101.db2.gz MWZVNMMHXBWQHA-UWJYYQICSA-N 1 3 361.530 2.867 20 0 FFADHO CN(Cc1ccc(F)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759734 507783213 /nfs/dbraw/zinc/78/32/13/507783213.db2.gz PHAZUVWYXDQKHA-UHFFFAOYSA-N 1 3 362.493 2.526 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N(C)C ZINC000106911812 507828517 /nfs/dbraw/zinc/82/85/17/507828517.db2.gz WFFVJKAZDPYZAK-HKUYNNGSSA-N 1 3 359.514 2.677 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000089393183 507835421 /nfs/dbraw/zinc/83/54/21/507835421.db2.gz BZBOMRUCNNNYLH-FQEVSTJZSA-N 1 3 358.530 2.925 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000108539513 507902392 /nfs/dbraw/zinc/90/23/92/507902392.db2.gz GWZSNWSFBGKWFD-SFHVURJKSA-N 1 3 350.551 2.816 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000079251015 507947853 /nfs/dbraw/zinc/94/78/53/507947853.db2.gz DJSNRUQZPTZEOJ-QAPCUYQASA-N 1 3 364.559 2.915 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000079251015 507947855 /nfs/dbraw/zinc/94/78/55/507947855.db2.gz DJSNRUQZPTZEOJ-QAPCUYQASA-N 1 3 364.559 2.915 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000079586551 507978719 /nfs/dbraw/zinc/97/87/19/507978719.db2.gz OEMDNDLBWAJFRC-LBPRGKRZSA-N 1 3 359.392 2.895 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000074299807 508008115 /nfs/dbraw/zinc/00/81/15/508008115.db2.gz QBFUVNVYZUTNHN-PXNSSMCTSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000074299807 508008119 /nfs/dbraw/zinc/00/81/19/508008119.db2.gz QBFUVNVYZUTNHN-PXNSSMCTSA-N 1 3 358.530 2.996 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C[NH+](CC)CC)C3)cc2)CC1 ZINC000075215742 508090418 /nfs/dbraw/zinc/09/04/18/508090418.db2.gz NYENKRHSTAELRX-LJQANCHMSA-N 1 3 372.557 2.632 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000111480905 508103252 /nfs/dbraw/zinc/10/32/52/508103252.db2.gz LPKVCEMRWBMATQ-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111874973 508133010 /nfs/dbraw/zinc/13/30/10/508133010.db2.gz PKBYTDBUJRWRFA-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000098030606 508231679 /nfs/dbraw/zinc/23/16/79/508231679.db2.gz ZXWVNOANBDCNAJ-IRXDYDNUSA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)o1 ZINC000098030606 508231682 /nfs/dbraw/zinc/23/16/82/508231682.db2.gz ZXWVNOANBDCNAJ-IRXDYDNUSA-N 1 3 364.534 2.782 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000105075368 508359896 /nfs/dbraw/zinc/35/98/96/508359896.db2.gz SQKZJXUSQFCSLG-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000114936416 508360669 /nfs/dbraw/zinc/36/06/69/508360669.db2.gz OEDVMEPFQZMECY-LJQANCHMSA-N 1 3 360.546 2.800 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000105149776 508363370 /nfs/dbraw/zinc/36/33/70/508363370.db2.gz QMLZWQAAMHPWPB-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000105149776 508363373 /nfs/dbraw/zinc/36/33/73/508363373.db2.gz QMLZWQAAMHPWPB-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000105198604 508365120 /nfs/dbraw/zinc/36/51/20/508365120.db2.gz DLBCVQXZCLNWGP-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000105276072 508367577 /nfs/dbraw/zinc/36/75/77/508367577.db2.gz ITTAOODYFJZGNX-HXUWFJFHSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000105276072 508367580 /nfs/dbraw/zinc/36/75/80/508367580.db2.gz ITTAOODYFJZGNX-HXUWFJFHSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C1CC1 ZINC000105270057 508368135 /nfs/dbraw/zinc/36/81/35/508368135.db2.gz PUTSXYCNLUYJRE-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CCOc1cc(CNCCC[N@@H+]2CCCN(C)CC2)cc(Cl)c1OC ZINC000105477022 508374111 /nfs/dbraw/zinc/37/41/11/508374111.db2.gz JRHLQHLTBBPSBZ-UHFFFAOYSA-N 1 3 369.937 2.865 20 0 FFADHO CCOc1cc(CNCCC[N@H+]2CCCN(C)CC2)cc(Cl)c1OC ZINC000105477022 508374115 /nfs/dbraw/zinc/37/41/15/508374115.db2.gz JRHLQHLTBBPSBZ-UHFFFAOYSA-N 1 3 369.937 2.865 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)N(C)C)cc1 ZINC000106547478 508402146 /nfs/dbraw/zinc/40/21/46/508402146.db2.gz OLHHGHIGSQOBIY-UYAOXDASSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)N(C)C)cc1 ZINC000106547478 508402147 /nfs/dbraw/zinc/40/21/47/508402147.db2.gz OLHHGHIGSQOBIY-UYAOXDASSA-N 1 3 358.530 2.914 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4ncccc4c3)CC2)CC1 ZINC000127231287 508418572 /nfs/dbraw/zinc/41/85/72/508418572.db2.gz ZJVUFVXMSDJQBE-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133997685 508479255 /nfs/dbraw/zinc/47/92/55/508479255.db2.gz HRYXOCNSQSOKJY-KRWDZBQOSA-N 1 3 361.534 2.638 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133997685 508479259 /nfs/dbraw/zinc/47/92/59/508479259.db2.gz HRYXOCNSQSOKJY-KRWDZBQOSA-N 1 3 361.534 2.638 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)CC2)CC1 ZINC000152768171 508512357 /nfs/dbraw/zinc/51/23/57/508512357.db2.gz VJJAJIOLDQYYRD-NBDWZHNGSA-N 1 3 362.562 2.908 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134889877 508572537 /nfs/dbraw/zinc/57/25/37/508572537.db2.gz LOJHXFWWMMVDMD-OXQOHEQNSA-N 1 3 367.493 2.621 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134889877 508572538 /nfs/dbraw/zinc/57/25/38/508572538.db2.gz LOJHXFWWMMVDMD-OXQOHEQNSA-N 1 3 367.493 2.621 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@H](C)C1 ZINC000128557736 508610895 /nfs/dbraw/zinc/61/08/95/508610895.db2.gz QHPJMIAVBODNAE-YZGWKJHDSA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@H](C)C1 ZINC000128557736 508610900 /nfs/dbraw/zinc/61/09/00/508610900.db2.gz QHPJMIAVBODNAE-YZGWKJHDSA-N 1 3 360.546 2.531 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123092210 508634929 /nfs/dbraw/zinc/63/49/29/508634929.db2.gz QYLLXOPFXFQGPQ-QGZVFWFLSA-N 1 3 370.541 2.651 20 0 FFADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000136777321 508716007 /nfs/dbraw/zinc/71/60/07/508716007.db2.gz FXFMDEKJPZJUNT-KRWDZBQOSA-N 1 3 369.509 2.795 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158886813 508764585 /nfs/dbraw/zinc/76/45/85/508764585.db2.gz APTHOYGFRNDZMU-NVXWUHKLSA-N 1 3 359.514 2.660 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000139532516 508790314 /nfs/dbraw/zinc/79/03/14/508790314.db2.gz NUJBEVCTYWROIF-XLIONFOSSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000139532516 508790316 /nfs/dbraw/zinc/79/03/16/508790316.db2.gz NUJBEVCTYWROIF-XLIONFOSSA-N 1 3 358.530 2.812 20 0 FFADHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc2c(c1)OCCO2 ZINC000154474485 508792318 /nfs/dbraw/zinc/79/23/18/508792318.db2.gz SJAFDJRPGLDEQC-IBGZPJMESA-N 1 3 361.530 2.916 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000154515168 508799480 /nfs/dbraw/zinc/79/94/80/508799480.db2.gz RWGWYCFBADSLNP-IBGZPJMESA-N 1 3 355.530 2.941 20 0 FFADHO CN(c1ccccc1CNCC[S@](=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000150927523 508923862 /nfs/dbraw/zinc/92/38/62/508923862.db2.gz BPSLYKMVQIUYDC-RUZDIDTESA-N 1 3 365.587 2.854 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000155247089 508957385 /nfs/dbraw/zinc/95/73/85/508957385.db2.gz ULAUPZJNESAQSB-XLIONFOSSA-N 1 3 373.541 2.875 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155292139 508968146 /nfs/dbraw/zinc/96/81/46/508968146.db2.gz RHZZGZKOTUGSHP-NHCUHLMSSA-N 1 3 372.557 2.819 20 0 FFADHO CC(C)[C@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)N(C)C ZINC000132070140 508993255 /nfs/dbraw/zinc/99/32/55/508993255.db2.gz JYMMTESIDPVTOA-HXUWFJFHSA-N 1 3 358.530 2.743 20 0 FFADHO O=C(NCC1CC[NH2+]CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000120605254 509030044 /nfs/dbraw/zinc/03/00/44/509030044.db2.gz SCZVEUHLQAGXNO-SFHVURJKSA-N 1 3 369.431 2.557 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000155751316 509065341 /nfs/dbraw/zinc/06/53/41/509065341.db2.gz OJSLJEKJWQFABM-DLBZAZTESA-N 1 3 373.520 2.996 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000120869455 509080242 /nfs/dbraw/zinc/08/02/42/509080242.db2.gz KWVNYHQXNZHQFF-LPHOPBHVSA-N 1 3 358.530 2.951 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000120869455 509080243 /nfs/dbraw/zinc/08/02/43/509080243.db2.gz KWVNYHQXNZHQFF-LPHOPBHVSA-N 1 3 358.530 2.951 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(OC)ccc1F ZINC000151848980 509096027 /nfs/dbraw/zinc/09/60/27/509096027.db2.gz QRDFTBQHWKDYSC-HNNXBMFYSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(OC)ccc1F ZINC000151848980 509096029 /nfs/dbraw/zinc/09/60/29/509096029.db2.gz QRDFTBQHWKDYSC-HNNXBMFYSA-N 1 3 366.481 2.714 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000151909344 509109652 /nfs/dbraw/zinc/10/96/52/509109652.db2.gz RKACPXIGZOBZIB-RZUBCFFCSA-N 1 3 358.574 2.513 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CSCCN3)cc2)CC1 ZINC000133437483 509160062 /nfs/dbraw/zinc/16/00/62/509160062.db2.gz JYUPEFCFGCJVRE-IBGZPJMESA-N 1 3 361.555 2.630 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127055795 509163577 /nfs/dbraw/zinc/16/35/77/509163577.db2.gz LTMVGWWTKHZTGL-UXHICEINSA-N 1 3 373.516 2.982 20 0 FFADHO Cc1ccc(-c2noc([C@H](C)N3CCN(CC4CC[NH2+]CC4)CC3)n2)cc1 ZINC000178978960 509211891 /nfs/dbraw/zinc/21/18/91/509211891.db2.gz VHWZDZPRKRLABL-KRWDZBQOSA-N 1 3 369.513 2.723 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248032334 509220311 /nfs/dbraw/zinc/22/03/11/509220311.db2.gz QSKBNSFBBHXLHY-WAGURGNTSA-N 1 3 358.526 2.858 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CO[C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248032334 509220314 /nfs/dbraw/zinc/22/03/14/509220314.db2.gz QSKBNSFBBHXLHY-WAGURGNTSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248032334 509220315 /nfs/dbraw/zinc/22/03/15/509220315.db2.gz QSKBNSFBBHXLHY-WAGURGNTSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248032334 509220318 /nfs/dbraw/zinc/22/03/18/509220318.db2.gz QSKBNSFBBHXLHY-WAGURGNTSA-N 1 3 358.526 2.858 20 0 FFADHO C[C@@H](NC[C@H](O)COc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661881 509291376 /nfs/dbraw/zinc/29/13/76/509291376.db2.gz QMZUASLJRPJMLD-NUJGCVRESA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H](NC[C@H](O)COc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661881 509291378 /nfs/dbraw/zinc/29/13/78/509291378.db2.gz QMZUASLJRPJMLD-NUJGCVRESA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000185661881 509291381 /nfs/dbraw/zinc/29/13/81/509291381.db2.gz QMZUASLJRPJMLD-NUJGCVRESA-N 1 3 350.478 2.808 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000248401386 509296889 /nfs/dbraw/zinc/29/68/89/509296889.db2.gz RZGNURJQRCYOES-HWWDLCQESA-N 1 3 371.447 2.753 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000248564474 509367103 /nfs/dbraw/zinc/36/71/03/509367103.db2.gz OYCLDAVWIWKQJM-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000248564474 509367111 /nfs/dbraw/zinc/36/71/11/509367111.db2.gz OYCLDAVWIWKQJM-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](CCNC(=O)N1CCC[C@@H]1CN1CCCCC1)[NH+]1CCCCC1 ZINC000182690985 509376054 /nfs/dbraw/zinc/37/60/54/509376054.db2.gz VTJSYQVRSJSPEU-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176210936 509380334 /nfs/dbraw/zinc/38/03/34/509380334.db2.gz LXRFNOGXMMSMMZ-KRWDZBQOSA-N 1 3 350.551 2.957 20 0 FFADHO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000236797820 509505214 /nfs/dbraw/zinc/50/52/14/509505214.db2.gz MPMBBJWWZGJHIG-IBGZPJMESA-N 1 3 360.502 2.813 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000249100508 509603382 /nfs/dbraw/zinc/60/33/82/509603382.db2.gz WCPIRVLZDSAIDT-YADHBBJMSA-N 1 3 364.622 2.989 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000249100508 509603391 /nfs/dbraw/zinc/60/33/91/509603391.db2.gz WCPIRVLZDSAIDT-YADHBBJMSA-N 1 3 364.622 2.989 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000237337830 509626179 /nfs/dbraw/zinc/62/61/79/509626179.db2.gz MOSLZCXSNSHGNE-GHTZIAJQSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000237412119 509642279 /nfs/dbraw/zinc/64/22/79/509642279.db2.gz HCVGCECFAAQTLG-KRWDZBQOSA-N 1 3 367.603 2.880 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CSCCN2)CCCC1)c1ccccc1 ZINC000237525254 509669681 /nfs/dbraw/zinc/66/96/81/509669681.db2.gz ZDVCSPPFSUDLKK-FUHWJXTLSA-N 1 3 361.555 2.861 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237568213 509678840 /nfs/dbraw/zinc/67/88/40/509678840.db2.gz UKVPUQAWVJNIBT-QMMLZNLJSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237568213 509678846 /nfs/dbraw/zinc/67/88/46/509678846.db2.gz UKVPUQAWVJNIBT-QMMLZNLJSA-N 1 3 351.494 2.726 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCCCC2)[C@H](C)C1 ZINC000249431612 509679752 /nfs/dbraw/zinc/67/97/52/509679752.db2.gz JTHIMLIMYPBKKP-QRVBRYPASA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000237602869 509686571 /nfs/dbraw/zinc/68/65/71/509686571.db2.gz VOFKCTMAMKHETD-UEXGIBASSA-N 1 3 373.541 2.814 20 0 FFADHO [NH3+]C1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CCCCCC1 ZINC000237738750 509723525 /nfs/dbraw/zinc/72/35/25/509723525.db2.gz CZWXJGUOQXNIFK-UHFFFAOYSA-N 1 3 372.557 2.757 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189817851 509769105 /nfs/dbraw/zinc/76/91/05/509769105.db2.gz WHHGFCSGCIXNAY-IFMALSPDSA-N 1 3 357.542 2.887 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)cc1 ZINC000186575735 509781036 /nfs/dbraw/zinc/78/10/36/509781036.db2.gz KBLSFPKJNZRKNF-QZTJIDSGSA-N 1 3 355.530 2.857 20 0 FFADHO CN(CCC1CCOCC1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177019931 509822366 /nfs/dbraw/zinc/82/23/66/509822366.db2.gz WBBOWSJPDZVNGG-UHFFFAOYSA-N 1 3 373.541 2.647 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000252172414 509833856 /nfs/dbraw/zinc/83/38/56/509833856.db2.gz RJZUFQFYGPUAHW-WSTZPKSXSA-N 1 3 360.546 2.957 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000252172414 509833864 /nfs/dbraw/zinc/83/38/64/509833864.db2.gz RJZUFQFYGPUAHW-WSTZPKSXSA-N 1 3 360.546 2.957 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000183545025 509852677 /nfs/dbraw/zinc/85/26/77/509852677.db2.gz PJOGMNJFPUJNOS-QGTPRVQTSA-N 1 3 361.486 2.653 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000183545025 509852684 /nfs/dbraw/zinc/85/26/84/509852684.db2.gz PJOGMNJFPUJNOS-QGTPRVQTSA-N 1 3 361.486 2.653 20 0 FFADHO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000177110748 509877989 /nfs/dbraw/zinc/87/79/89/509877989.db2.gz KOMQFHDVRHAJRJ-NRFANRHFSA-N 1 3 373.541 2.610 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nc(C2CC2)cs1 ZINC000171165818 509982859 /nfs/dbraw/zinc/98/28/59/509982859.db2.gz NIESYZZHTVNUEA-OAHLLOKOSA-N 1 3 365.547 2.900 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nc(C2CC2)cs1 ZINC000171165818 509982864 /nfs/dbraw/zinc/98/28/64/509982864.db2.gz NIESYZZHTVNUEA-OAHLLOKOSA-N 1 3 365.547 2.900 20 0 FFADHO C[NH2+][C@H](C)Cc1noc([C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000261629148 510005850 /nfs/dbraw/zinc/00/58/50/510005850.db2.gz CJAUXZMRJBKDDJ-DYVFJYSZSA-N 1 3 368.403 2.926 20 0 FFADHO C[C@H]([NH3+])CC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261666900 510019307 /nfs/dbraw/zinc/01/93/07/510019307.db2.gz AHLORHQYGYYZTK-QEORTHHSSA-N 1 3 357.420 2.942 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000245665405 510071621 /nfs/dbraw/zinc/07/16/21/510071621.db2.gz DSUKOHZGOIPTRJ-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000245665405 510071623 /nfs/dbraw/zinc/07/16/23/510071623.db2.gz DSUKOHZGOIPTRJ-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC000245667912 510072826 /nfs/dbraw/zinc/07/28/26/510072826.db2.gz RKUGTJKWGFSQBT-NHCUHLMSSA-N 1 3 366.509 2.993 20 0 FFADHO Cc1cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c2ccccc2n1 ZINC000261835619 510084170 /nfs/dbraw/zinc/08/41/70/510084170.db2.gz LDVOBRWQYHNQIU-UWJYYQICSA-N 1 3 366.509 2.623 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C[C@H](C)O1 ZINC000187168858 510099945 /nfs/dbraw/zinc/09/99/45/510099945.db2.gz SXIYFHNKFDDMRS-CALCHBBNSA-N 1 3 359.514 2.575 20 0 FFADHO Cc1nc2ccc(CN3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc2s1 ZINC000261954179 510126471 /nfs/dbraw/zinc/12/64/71/510126471.db2.gz OLHCQHAJXRTEHM-SJLPKXTDSA-N 1 3 372.538 2.685 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000177587780 510147706 /nfs/dbraw/zinc/14/77/06/510147706.db2.gz CBZCZINKVBPZAP-CTNGQTDRSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000187271544 510162148 /nfs/dbraw/zinc/16/21/48/510162148.db2.gz KCPVWNYYWXQYTO-GHTZIAJQSA-N 1 3 373.541 2.829 20 0 FFADHO CCOc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OCC(C)C ZINC000262094946 510176094 /nfs/dbraw/zinc/17/60/94/510176094.db2.gz HTZZGXDWFGZSHF-IBGZPJMESA-N 1 3 361.530 2.600 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000174623352 510212948 /nfs/dbraw/zinc/21/29/48/510212948.db2.gz VKUHWUQBSRBACS-UHFFFAOYSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000177723022 510217871 /nfs/dbraw/zinc/21/78/71/510217871.db2.gz OCEUMSDDLINNRJ-YLJYHZDGSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000245945259 510221966 /nfs/dbraw/zinc/22/19/66/510221966.db2.gz NTLWXQRZKOYRSD-QZTJIDSGSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000245945259 510221973 /nfs/dbraw/zinc/22/19/73/510221973.db2.gz NTLWXQRZKOYRSD-QZTJIDSGSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CN1Cc1ccccc1 ZINC000246046786 510262932 /nfs/dbraw/zinc/26/29/32/510262932.db2.gz XRAHSPOLKMBZJL-PBASOCQRSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CN1Cc1ccccc1 ZINC000246046786 510262940 /nfs/dbraw/zinc/26/29/40/510262940.db2.gz XRAHSPOLKMBZJL-PBASOCQRSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269237133 510303663 /nfs/dbraw/zinc/30/36/63/510303663.db2.gz NSAOEOTVCKZGSZ-UHFFFAOYSA-N 1 3 364.493 2.982 20 0 FFADHO [NH3+]Cc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000262657765 510355128 /nfs/dbraw/zinc/35/51/28/510355128.db2.gz VJJPVSLONNOYKM-UHFFFAOYSA-N 1 3 353.466 2.602 20 0 FFADHO C[C@H](CC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)N1CCCCC1 ZINC000184510235 510364749 /nfs/dbraw/zinc/36/47/49/510364749.db2.gz PVQRLXFPTCQGLZ-HZPDHXFCSA-N 1 3 353.532 2.973 20 0 FFADHO C[C@H]1C[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000181381846 510383169 /nfs/dbraw/zinc/38/31/69/510383169.db2.gz YQLIPEWINMKWAU-FUHWJXTLSA-N 1 3 350.938 2.534 20 0 FFADHO C[C@H]1C[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000181381846 510383177 /nfs/dbraw/zinc/38/31/77/510383177.db2.gz YQLIPEWINMKWAU-FUHWJXTLSA-N 1 3 350.938 2.534 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178041329 510396664 /nfs/dbraw/zinc/39/66/64/510396664.db2.gz CUWZCLPHXKHFKL-BZSNNMDCSA-N 1 3 357.502 2.807 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1(C)C ZINC000262753131 510397859 /nfs/dbraw/zinc/39/78/59/510397859.db2.gz AHOWXWBANOQNLR-DKZVUGQWSA-N 1 3 373.541 2.861 20 0 FFADHO C[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)N(C)Cc1ccccc1 ZINC000171832692 510398092 /nfs/dbraw/zinc/39/80/92/510398092.db2.gz KIZLADIUOHYDRG-KRWDZBQOSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000246401538 510467369 /nfs/dbraw/zinc/46/73/69/510467369.db2.gz UARIBBWAFSRONA-MISYRCLQSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000246401538 510467377 /nfs/dbraw/zinc/46/73/77/510467377.db2.gz UARIBBWAFSRONA-MISYRCLQSA-N 1 3 370.541 2.775 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)C1CC1 ZINC000184695305 510467802 /nfs/dbraw/zinc/46/78/02/510467802.db2.gz PECZOSRGGVQTTR-NRFANRHFSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCc2occc21 ZINC000246418674 510480164 /nfs/dbraw/zinc/48/01/64/510480164.db2.gz SJWNOBLECKYXPV-AEFFLSMTSA-N 1 3 362.518 2.715 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCc2occc21 ZINC000246418674 510480170 /nfs/dbraw/zinc/48/01/70/510480170.db2.gz SJWNOBLECKYXPV-AEFFLSMTSA-N 1 3 362.518 2.715 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCO[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000181735800 510565386 /nfs/dbraw/zinc/56/53/86/510565386.db2.gz XGQUTASIAQBSHE-WSTZPKSXSA-N 1 3 354.535 2.741 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184908628 510575576 /nfs/dbraw/zinc/57/55/76/510575576.db2.gz MNOLFBZQJYJESM-UHFFFAOYSA-N 1 3 361.534 2.682 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184908628 510575581 /nfs/dbraw/zinc/57/55/81/510575581.db2.gz MNOLFBZQJYJESM-UHFFFAOYSA-N 1 3 361.534 2.682 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000175309130 510581904 /nfs/dbraw/zinc/58/19/04/510581904.db2.gz ROJSPJKDLODOJR-MOPGFXCFSA-N 1 3 361.534 2.590 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000175309130 510581909 /nfs/dbraw/zinc/58/19/09/510581909.db2.gz ROJSPJKDLODOJR-MOPGFXCFSA-N 1 3 361.534 2.590 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H](C)C[NH+]3CCCC3)c2)CC1 ZINC000184918985 510583050 /nfs/dbraw/zinc/58/30/50/510583050.db2.gz ZKFCZOQQWIIWGY-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H](C)C[NH+]3CCCC3)c2)CC1 ZINC000184918964 510583544 /nfs/dbraw/zinc/58/35/44/510583544.db2.gz ZKFCZOQQWIIWGY-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000246647890 510600873 /nfs/dbraw/zinc/60/08/73/510600873.db2.gz QDPFAAPCGVBFDQ-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000246647890 510600877 /nfs/dbraw/zinc/60/08/77/510600877.db2.gz QDPFAAPCGVBFDQ-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000188116682 510602401 /nfs/dbraw/zinc/60/24/01/510602401.db2.gz AGORQXFBQNPHPP-OAHLLOKOSA-N 1 3 368.363 2.996 20 0 FFADHO COc1cccc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195058348 510650605 /nfs/dbraw/zinc/65/06/05/510650605.db2.gz RTJOHUDGEHDPAF-UHFFFAOYSA-N 1 3 360.502 2.684 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246819300 510693501 /nfs/dbraw/zinc/69/35/01/510693501.db2.gz BBRYFCZHTJAMCM-GMAHTHKFSA-N 1 3 372.601 2.904 20 0 FFADHO CN(CCNC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000175672938 510725161 /nfs/dbraw/zinc/72/51/61/510725161.db2.gz HTXKSHGLCVGHTR-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000195250508 510737758 /nfs/dbraw/zinc/73/77/58/510737758.db2.gz RKNWHOUMVYAQFA-RTBURBONSA-N 1 3 356.514 2.910 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)N(C)Cc1ccccc1 ZINC000246921192 510748197 /nfs/dbraw/zinc/74/81/97/510748197.db2.gz MYRZPSYMTQIOAC-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)N(C)Cc1ccccc1 ZINC000246921192 510748202 /nfs/dbraw/zinc/74/82/02/510748202.db2.gz MYRZPSYMTQIOAC-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO N[C@@H](CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000178817097 510789539 /nfs/dbraw/zinc/78/95/39/510789539.db2.gz QPECNRMWHFEWSU-NRFANRHFSA-N 1 3 351.494 2.900 20 0 FFADHO COCc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195343567 510793943 /nfs/dbraw/zinc/79/39/43/510793943.db2.gz RMGBGDAUHLJGJT-UHFFFAOYSA-N 1 3 360.502 2.513 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000182170340 510794317 /nfs/dbraw/zinc/79/43/17/510794317.db2.gz RMTILEGACHTXRW-NJYVYQBISA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000182170340 510794321 /nfs/dbraw/zinc/79/43/21/510794321.db2.gz RMTILEGACHTXRW-NJYVYQBISA-N 1 3 370.541 2.949 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC[C@H]21 ZINC000247425567 510860578 /nfs/dbraw/zinc/86/05/78/510860578.db2.gz ZKZNMHKTWUKRBB-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC[C@H]21 ZINC000247425567 510860579 /nfs/dbraw/zinc/86/05/79/510860579.db2.gz ZKZNMHKTWUKRBB-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO NC(=O)C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(Cl)c1 ZINC000297322871 510903013 /nfs/dbraw/zinc/90/30/13/510903013.db2.gz CJVFJDBFAGKXTI-GOSISDBHSA-N 1 3 358.873 2.910 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285528719 510943392 /nfs/dbraw/zinc/94/33/92/510943392.db2.gz GUKGHXUCDJRNBM-MAUKXSAKSA-N 1 3 372.538 2.556 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000285528719 510943394 /nfs/dbraw/zinc/94/33/94/510943394.db2.gz GUKGHXUCDJRNBM-MAUKXSAKSA-N 1 3 372.538 2.556 20 0 FFADHO C[C@H](c1cccnc1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000270700852 510954758 /nfs/dbraw/zinc/95/47/58/510954758.db2.gz BUABQQGYGDNDIU-GOSISDBHSA-N 1 3 358.530 2.847 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3ccc(OC)cc3C2)[C@H](C)C1 ZINC000297507209 510971795 /nfs/dbraw/zinc/97/17/95/510971795.db2.gz CJDMPCVFILSTNF-POAQFYNOSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3ccc(OC)cc3C2)[C@H](C)C1 ZINC000297507209 510971801 /nfs/dbraw/zinc/97/18/01/510971801.db2.gz CJDMPCVFILSTNF-POAQFYNOSA-N 1 3 362.514 2.725 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282484054 510996371 /nfs/dbraw/zinc/99/63/71/510996371.db2.gz XBONPCRMFKBQBD-OAHLLOKOSA-N 1 3 366.937 2.673 20 0 FFADHO COc1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC(F)F ZINC000282502133 511003285 /nfs/dbraw/zinc/00/32/85/511003285.db2.gz YFPXUMVTZRBHKD-CQSZACIVSA-N 1 3 371.472 2.973 20 0 FFADHO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000285674773 511005304 /nfs/dbraw/zinc/00/53/04/511005304.db2.gz QBUTUQACGIGOTJ-HOCLYGCPSA-N 1 3 374.554 2.850 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285674773 511005308 /nfs/dbraw/zinc/00/53/08/511005308.db2.gz QBUTUQACGIGOTJ-HOCLYGCPSA-N 1 3 374.554 2.850 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285674773 511005310 /nfs/dbraw/zinc/00/53/10/511005310.db2.gz QBUTUQACGIGOTJ-HOCLYGCPSA-N 1 3 374.554 2.850 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000297803043 511073857 /nfs/dbraw/zinc/07/38/57/511073857.db2.gz MQRAXXUUNSEDKD-GOSISDBHSA-N 1 3 364.559 2.795 20 0 FFADHO COCCCn1nccc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000282804888 511118830 /nfs/dbraw/zinc/11/88/30/511118830.db2.gz ZRIYOGAYHFGIOQ-UHFFFAOYSA-N 1 3 356.514 2.921 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000362097488 511130882 /nfs/dbraw/zinc/13/08/82/511130882.db2.gz IHWWRTPWKFDCLJ-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000362097488 511130883 /nfs/dbraw/zinc/13/08/83/511130883.db2.gz IHWWRTPWKFDCLJ-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271241817 511135049 /nfs/dbraw/zinc/13/50/49/511135049.db2.gz AKMGGBURJDQWDK-MQSCRBSSSA-N 1 3 370.585 2.751 20 0 FFADHO O=C1CC[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c2ccccc2N1 ZINC000332891030 511140703 /nfs/dbraw/zinc/14/07/03/511140703.db2.gz UJWNRWGJHFWFNP-SLFFLAALSA-N 1 3 357.498 2.818 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CNC3CC[NH+](C4CC4)CC3)c2)n1 ZINC000298032130 511150208 /nfs/dbraw/zinc/15/02/08/511150208.db2.gz GDILDQBNPMZBBF-UHFFFAOYSA-N 1 3 368.481 2.765 20 0 FFADHO C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271553159 511243553 /nfs/dbraw/zinc/24/35/53/511243553.db2.gz VDECVDPYIWEJCX-UCNVEGJOSA-N 1 3 372.509 2.762 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)C2)C1 ZINC000291659748 511286352 /nfs/dbraw/zinc/28/63/52/511286352.db2.gz LHQJVWLYOVSRTH-QFBILLFUSA-N 1 3 362.543 2.622 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)C2)C1 ZINC000291659748 511286355 /nfs/dbraw/zinc/28/63/55/511286355.db2.gz LHQJVWLYOVSRTH-QFBILLFUSA-N 1 3 362.543 2.622 20 0 FFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1OC ZINC000279992266 511293902 /nfs/dbraw/zinc/29/39/02/511293902.db2.gz FJTNCRNGLVHWQL-QZTJIDSGSA-N 1 3 363.546 2.813 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2=CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000271859436 511349496 /nfs/dbraw/zinc/34/94/96/511349496.db2.gz IFAZDHKLNKOGPM-YLJYHZDGSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2=CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000271859436 511349503 /nfs/dbraw/zinc/34/95/03/511349503.db2.gz IFAZDHKLNKOGPM-YLJYHZDGSA-N 1 3 356.514 2.601 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000365276387 511356412 /nfs/dbraw/zinc/35/64/12/511356412.db2.gz RDDNAIPOHMDLEL-SIKLNZKXSA-N 1 3 367.541 2.639 20 0 FFADHO CC[NH+](CC)CCCN[C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000299369250 511609985 /nfs/dbraw/zinc/60/99/85/511609985.db2.gz SGJVVVGKDKETGE-OAHLLOKOSA-N 1 3 351.491 2.742 20 0 FFADHO CCN(CC)CCC[NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000299369250 511609992 /nfs/dbraw/zinc/60/99/92/511609992.db2.gz SGJVVVGKDKETGE-OAHLLOKOSA-N 1 3 351.491 2.742 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000302927309 511720358 /nfs/dbraw/zinc/72/03/58/511720358.db2.gz BDJWGIZZVACZTD-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO CC1CCN(C(=[NH2+])NCCCN2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000303259498 511730776 /nfs/dbraw/zinc/73/07/76/511730776.db2.gz MEEQLAFSAOEHSF-FQEVSTJZSA-N 1 3 357.546 2.621 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000274160922 511738402 /nfs/dbraw/zinc/73/84/02/511738402.db2.gz IACVMIOKDFWFSV-KXEVLKFVSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000274160922 511738406 /nfs/dbraw/zinc/73/84/06/511738406.db2.gz IACVMIOKDFWFSV-KXEVLKFVSA-N 1 3 370.541 2.821 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284476363 511739092 /nfs/dbraw/zinc/73/90/92/511739092.db2.gz WBZPWLISUMPAHO-KRWDZBQOSA-N 1 3 361.530 2.896 20 0 FFADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)OCCO2 ZINC000363786286 511766846 /nfs/dbraw/zinc/76/68/46/511766846.db2.gz RAUAYCYJTCSZBB-IEBWSBKVSA-N 1 3 359.514 2.667 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000365986557 511766749 /nfs/dbraw/zinc/76/67/49/511766749.db2.gz ZFFRWWIHHRHVOD-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO COc1cc(Br)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000320220340 511811894 /nfs/dbraw/zinc/81/18/94/511811894.db2.gz VCNVGQSDSYJGEH-BETUJISGSA-N 1 3 369.303 2.898 20 0 FFADHO C[C@@H](NC(=O)N(C)CCN(C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274524471 511863926 /nfs/dbraw/zinc/86/39/26/511863926.db2.gz OYPWXXJHYBNKRL-MJGOQNOKSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](NC(=O)N(C)CCN(C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274524471 511863929 /nfs/dbraw/zinc/86/39/29/511863929.db2.gz OYPWXXJHYBNKRL-MJGOQNOKSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1nccn1CCCN1C[C@H](C)[N@@H+](CCCn2ccnc2C)CC1(C)C ZINC000296829411 511914221 /nfs/dbraw/zinc/91/42/21/511914221.db2.gz WHTFUDYVSWHIKT-SFHVURJKSA-N 1 3 372.561 2.962 20 0 FFADHO Cc1nccn1CCCN1C[C@H](C)[N@H+](CCCn2ccnc2C)CC1(C)C ZINC000296829411 511914225 /nfs/dbraw/zinc/91/42/25/511914225.db2.gz WHTFUDYVSWHIKT-SFHVURJKSA-N 1 3 372.561 2.962 20 0 FFADHO Cc1nccn1CCCN1CC(C)(C)[N@@H+](CCCn2ccnc2C)C[C@@H]1C ZINC000296829411 511914229 /nfs/dbraw/zinc/91/42/29/511914229.db2.gz WHTFUDYVSWHIKT-SFHVURJKSA-N 1 3 372.561 2.962 20 0 FFADHO Cc1nccn1CCCN1CC(C)(C)[N@H+](CCCn2ccnc2C)C[C@@H]1C ZINC000296829411 511914235 /nfs/dbraw/zinc/91/42/35/511914235.db2.gz WHTFUDYVSWHIKT-SFHVURJKSA-N 1 3 372.561 2.962 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281759457 511957046 /nfs/dbraw/zinc/95/70/46/511957046.db2.gz WHDKKCFFULTSRE-HXUWFJFHSA-N 1 3 370.472 2.753 20 0 FFADHO CN(C)CCN1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293465099 511975119 /nfs/dbraw/zinc/97/51/19/511975119.db2.gz QIHORLFWPMYXIU-DYESRHJHSA-N 1 3 363.521 2.909 20 0 FFADHO CN1CCC(Oc2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000285072539 511989543 /nfs/dbraw/zinc/98/95/43/511989543.db2.gz WOIOBQPQJFDVBA-UHFFFAOYSA-N 1 3 371.525 2.650 20 0 FFADHO COC[C@H]1CCCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000364164977 511994115 /nfs/dbraw/zinc/99/41/15/511994115.db2.gz BLVAFZAOLGBGEW-NRFANRHFSA-N 1 3 373.541 2.647 20 0 FFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000364187772 512008832 /nfs/dbraw/zinc/00/88/32/512008832.db2.gz CVAAAHGQAQQXBK-FPOVZHCZSA-N 1 3 358.574 2.655 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000297106984 512022995 /nfs/dbraw/zinc/02/29/95/512022995.db2.gz QQILIFSHVUHHHN-HHXCZETCSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000297106984 512023000 /nfs/dbraw/zinc/02/30/00/512023000.db2.gz QQILIFSHVUHHHN-HHXCZETCSA-N 1 3 370.541 2.964 20 0 FFADHO COCCC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1 ZINC000282037647 512055431 /nfs/dbraw/zinc/05/54/31/512055431.db2.gz UIRHJGVZJHELOB-FQEVSTJZSA-N 1 3 351.510 2.909 20 0 FFADHO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000275206697 512075626 /nfs/dbraw/zinc/07/56/26/512075626.db2.gz JAIHZHJMQOJFRP-JRGCBEDISA-N 1 3 373.541 2.703 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366587947 512096705 /nfs/dbraw/zinc/09/67/05/512096705.db2.gz BYKLQMMAPZKUDC-DOTOQJQBSA-N 1 3 366.468 2.903 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366587947 512096707 /nfs/dbraw/zinc/09/67/07/512096707.db2.gz BYKLQMMAPZKUDC-DOTOQJQBSA-N 1 3 366.468 2.903 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000377912467 512508912 /nfs/dbraw/zinc/50/89/12/512508912.db2.gz SBWOEVDWTUHBBW-OAQYLSRUSA-N 1 3 370.541 2.777 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000367511855 512535998 /nfs/dbraw/zinc/53/59/98/512535998.db2.gz GNCBERHVMULYPV-ZWKOTPCHSA-N 1 3 365.468 2.602 20 0 FFADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000367511855 512536002 /nfs/dbraw/zinc/53/60/02/512536002.db2.gz GNCBERHVMULYPV-ZWKOTPCHSA-N 1 3 365.468 2.602 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000367669062 512608244 /nfs/dbraw/zinc/60/82/44/512608244.db2.gz KKSJYIVLNDJJHI-UHFFFAOYSA-N 1 3 353.457 2.747 20 0 FFADHO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000374204694 512706433 /nfs/dbraw/zinc/70/64/33/512706433.db2.gz LEQBKJINEINYIH-FQEVSTJZSA-N 1 3 359.562 2.682 20 0 FFADHO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000374204694 512706436 /nfs/dbraw/zinc/70/64/36/512706436.db2.gz LEQBKJINEINYIH-FQEVSTJZSA-N 1 3 359.562 2.682 20 0 FFADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000369987243 512714426 /nfs/dbraw/zinc/71/44/26/512714426.db2.gz RBRGCIXQGAEQBY-MOPGFXCFSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000369987243 512714430 /nfs/dbraw/zinc/71/44/30/512714430.db2.gz RBRGCIXQGAEQBY-MOPGFXCFSA-N 1 3 370.541 2.943 20 0 FFADHO CN(C)CCOc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000369990719 512715106 /nfs/dbraw/zinc/71/51/06/512715106.db2.gz IQTJDQHIEQTFQP-LJQANCHMSA-N 1 3 368.481 2.765 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C3CCC3)C3CCC3)CC2)CC1 ZINC000376344293 512776854 /nfs/dbraw/zinc/77/68/54/512776854.db2.gz PPFGYKPLGFLZJO-UHFFFAOYSA-N 1 3 362.562 2.813 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000411770395 512803264 /nfs/dbraw/zinc/80/32/64/512803264.db2.gz XZMCPTDGQGUZHA-IRLDBZIGSA-N 1 3 355.526 2.855 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000384035220 512882816 /nfs/dbraw/zinc/88/28/16/512882816.db2.gz DZBFALYUYRKAMG-VXKWHMMOSA-N 1 3 354.494 2.599 20 0 FFADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000411982948 512900641 /nfs/dbraw/zinc/90/06/41/512900641.db2.gz QAPOBCSZPBAQIM-OALUTQOASA-N 1 3 365.587 2.681 20 0 FFADHO CC(C)[NH+]1CCN(CCCN2CC[C@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000411987352 512901736 /nfs/dbraw/zinc/90/17/36/512901736.db2.gz PNOSIBTUXRZLPA-JOCHJYFZSA-N 1 3 371.525 2.512 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368390251 512925644 /nfs/dbraw/zinc/92/56/44/512925644.db2.gz OTPXPZMMNMJKFT-QHAWAJNXSA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368390251 512925647 /nfs/dbraw/zinc/92/56/47/512925647.db2.gz OTPXPZMMNMJKFT-QHAWAJNXSA-N 1 3 370.541 2.919 20 0 FFADHO OC1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC000397696907 512948936 /nfs/dbraw/zinc/94/89/36/512948936.db2.gz SMJYPQUVEUWIRQ-IAGOWNOFSA-N 1 3 372.431 2.713 20 0 FFADHO C[NH+](C)C1(CNC(=O)c2cccc(CN3CCCCC3)c2)CCOCC1 ZINC000412110372 512965607 /nfs/dbraw/zinc/96/56/07/512965607.db2.gz LPZWJQWIMUCCKF-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1C ZINC000368586744 513012464 /nfs/dbraw/zinc/01/24/64/513012464.db2.gz YZCIFBKAPFYMIR-QFBILLFUSA-N 1 3 355.482 2.812 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775350 513094643 /nfs/dbraw/zinc/09/46/43/513094643.db2.gz VUFKDGRLDBSEGJ-BHYGNILZSA-N 1 3 369.431 2.957 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 ZINC000415199875 513148778 /nfs/dbraw/zinc/14/87/78/513148778.db2.gz DSISUQZDONALOK-UHFFFAOYSA-N 1 3 362.518 2.789 20 0 FFADHO C[NH2+]C[C@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417680098 513156240 /nfs/dbraw/zinc/15/62/40/513156240.db2.gz IGKGESLWTXMOOZ-XLIONFOSSA-N 1 3 372.557 2.710 20 0 FFADHO CN(C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1CC([NH3+])C1 ZINC000417679103 513157173 /nfs/dbraw/zinc/15/71/73/513157173.db2.gz HDBLGDSWSYQXJU-ACBHZAAOSA-N 1 3 358.530 2.591 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417685831 513160344 /nfs/dbraw/zinc/16/03/44/513160344.db2.gz POPOACXVBMSXNR-RTBURBONSA-N 1 3 358.530 2.592 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@H]1C[NH3+] ZINC000417685830 513160747 /nfs/dbraw/zinc/16/07/47/513160747.db2.gz POPOACXVBMSXNR-RBUKOAKNSA-N 1 3 358.530 2.592 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC1CC[NH2+]CC1 ZINC000417685798 513161019 /nfs/dbraw/zinc/16/10/19/513161019.db2.gz PIUVFDPIJKAEND-LJQANCHMSA-N 1 3 358.530 2.511 20 0 FFADHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000428685144 513163457 /nfs/dbraw/zinc/16/34/57/513163457.db2.gz JSIGTDJJLQUMFU-SJLPKXTDSA-N 1 3 364.559 2.868 20 0 FFADHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000428685144 513163462 /nfs/dbraw/zinc/16/34/62/513163462.db2.gz JSIGTDJJLQUMFU-SJLPKXTDSA-N 1 3 364.559 2.868 20 0 FFADHO CCN1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000428704091 513169467 /nfs/dbraw/zinc/16/94/67/513169467.db2.gz WWYBQCFVIRIMOS-UHFFFAOYSA-N 1 3 350.551 2.912 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417703722 513172157 /nfs/dbraw/zinc/17/21/57/513172157.db2.gz PTWHXUARBZPXMC-ZWKOTPCHSA-N 1 3 350.551 2.671 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000433940234 513192676 /nfs/dbraw/zinc/19/26/76/513192676.db2.gz JKKXTOGUAPHTOJ-LSTHTHJFSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000433940234 513192680 /nfs/dbraw/zinc/19/26/80/513192680.db2.gz JKKXTOGUAPHTOJ-LSTHTHJFSA-N 1 3 360.546 2.662 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000417818034 513219817 /nfs/dbraw/zinc/21/98/17/513219817.db2.gz FFVDSVFZMBQFEY-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CC[NH3+])C2)CCN1Cc1ccccc1 ZINC000417841759 513231596 /nfs/dbraw/zinc/23/15/96/513231596.db2.gz PCEYQMSQASDRRE-YZGWKJHDSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417840181 513232129 /nfs/dbraw/zinc/23/21/29/513232129.db2.gz ZNCDTEKLXADKSF-VNYTWHDVSA-N 1 3 372.557 2.961 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CN1Cc1ccccc1 ZINC000417869677 513247447 /nfs/dbraw/zinc/24/74/47/513247447.db2.gz HMVMGMDIKBYITJ-HZEGPAAWSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)[C@H]1c1ccccc1 ZINC000417938732 513291015 /nfs/dbraw/zinc/29/10/15/513291015.db2.gz JSZPNFMRRPOGGL-RBUKOAKNSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000450743766 513322224 /nfs/dbraw/zinc/32/22/24/513322224.db2.gz JBMCWLNSIRHMQJ-PZJWPPBQSA-N 1 3 359.558 2.501 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418012841 513334673 /nfs/dbraw/zinc/33/46/73/513334673.db2.gz MMXQMJSENPXZQE-PMXSJFBMSA-N 1 3 370.541 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418038679 513346449 /nfs/dbraw/zinc/34/64/49/513346449.db2.gz SPDYYKJYEGYFPX-UXHICEINSA-N 1 3 358.530 2.679 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000418098472 513371755 /nfs/dbraw/zinc/37/17/55/513371755.db2.gz LTIOIOSFGHXUQI-SJORKVTESA-N 1 3 350.551 2.526 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418108501 513375408 /nfs/dbraw/zinc/37/54/08/513375408.db2.gz RRIYVXUDJPGZGZ-WLYUNCDWSA-N 1 3 364.456 2.608 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418132588 513385568 /nfs/dbraw/zinc/38/55/68/513385568.db2.gz DUXXGNAXBUTLGO-ICSRJNTNSA-N 1 3 358.530 2.538 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000447042073 513386258 /nfs/dbraw/zinc/38/62/58/513386258.db2.gz ZXUDYIISZDERDW-UHFFFAOYSA-N 1 3 372.557 2.943 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418151971 513393038 /nfs/dbraw/zinc/39/30/38/513393038.db2.gz GIVVRROBFJNWHD-JKSUJKDBSA-N 1 3 368.472 2.569 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418154241 513395524 /nfs/dbraw/zinc/39/55/24/513395524.db2.gz JLNCVJZYKJQANT-AQNXPRMDSA-N 1 3 370.541 2.538 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000418159950 513398342 /nfs/dbraw/zinc/39/83/42/513398342.db2.gz RRHSMALDKKXEGF-YQVWRLOYSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418159950 513398345 /nfs/dbraw/zinc/39/83/45/513398345.db2.gz RRHSMALDKKXEGF-YQVWRLOYSA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccco1 ZINC000418169481 513402217 /nfs/dbraw/zinc/40/22/17/513402217.db2.gz PZYOVMNKVXISBP-FUHWJXTLSA-N 1 3 358.486 2.879 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccco1 ZINC000418172548 513404688 /nfs/dbraw/zinc/40/46/88/513404688.db2.gz WWPTUHBNQACRAB-XIRDDKMYSA-N 1 3 350.507 2.916 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H](c1ccccc1)N(C)C ZINC000418178489 513407749 /nfs/dbraw/zinc/40/77/49/513407749.db2.gz IXKRKZARMMQWOI-OJAHFUOMSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418185981 513411408 /nfs/dbraw/zinc/41/14/08/513411408.db2.gz BTJWVJSPQPPNDX-DBVUQKKJSA-N 1 3 360.546 2.867 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000418187888 513412074 /nfs/dbraw/zinc/41/20/74/513412074.db2.gz SXWMOBQRDVGIIX-IAGOWNOFSA-N 1 3 352.910 2.774 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418208085 513421889 /nfs/dbraw/zinc/42/18/89/513421889.db2.gz QDIYRBWREXNAKU-HKUYNNGSSA-N 1 3 364.534 2.749 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000418228931 513431832 /nfs/dbraw/zinc/43/18/32/513431832.db2.gz FUZJTGCNNKURGU-PKOBYXMFSA-N 1 3 364.559 2.700 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CCC1 ZINC000418237538 513436298 /nfs/dbraw/zinc/43/62/98/513436298.db2.gz DEZRXGFWNDOIBJ-HXUWFJFHSA-N 1 3 358.530 2.730 20 0 FFADHO COC1([C@H](C)[NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCCC1 ZINC000421840612 513448824 /nfs/dbraw/zinc/44/88/24/513448824.db2.gz ZZZNYTIVHYKRQO-PXNSSMCTSA-N 1 3 373.541 2.821 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCN2 ZINC000415872385 513457830 /nfs/dbraw/zinc/45/78/30/513457830.db2.gz WXEMYYMBOJWTEL-GOSISDBHSA-N 1 3 359.518 2.534 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCN2 ZINC000415872385 513457839 /nfs/dbraw/zinc/45/78/39/513457839.db2.gz WXEMYYMBOJWTEL-GOSISDBHSA-N 1 3 359.518 2.534 20 0 FFADHO CCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418351384 513477478 /nfs/dbraw/zinc/47/74/78/513477478.db2.gz ZRCHWRGWOWFIMZ-HBFSDRIKSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C[NH3+])C2CCCCC2)o1 ZINC000418355027 513479785 /nfs/dbraw/zinc/47/97/85/513479785.db2.gz FKVZPUREWNTNBS-GOSISDBHSA-N 1 3 350.507 2.569 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000418362797 513482983 /nfs/dbraw/zinc/48/29/83/513482983.db2.gz VDMVBQZTURVAAX-PWRODBHTSA-N 1 3 366.509 2.946 20 0 FFADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418377748 513489035 /nfs/dbraw/zinc/48/90/35/513489035.db2.gz VJISBFKOTMIZSI-SIKLNZKXSA-N 1 3 370.541 2.684 20 0 FFADHO CC1(C)CN(C(=O)N[C@H]2CC[NH2+]C2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418396181 513494510 /nfs/dbraw/zinc/49/45/10/513494510.db2.gz ZKGRGXPMLFLGEA-PMACEKPBSA-N 1 3 370.541 2.681 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000415949980 513495982 /nfs/dbraw/zinc/49/59/82/513495982.db2.gz CPIPULBLLNFLHV-KXBFYZLASA-N 1 3 372.488 2.952 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000415949980 513495989 /nfs/dbraw/zinc/49/59/89/513495989.db2.gz CPIPULBLLNFLHV-KXBFYZLASA-N 1 3 372.488 2.952 20 0 FFADHO CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418404497 513497747 /nfs/dbraw/zinc/49/77/47/513497747.db2.gz CNLDKTVCACELJR-XUVXKRRUSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418448077 513514319 /nfs/dbraw/zinc/51/43/19/513514319.db2.gz JDMPDVHXVNKNLF-GGPKGHCWSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418448077 513514332 /nfs/dbraw/zinc/51/43/32/513514332.db2.gz JDMPDVHXVNKNLF-GGPKGHCWSA-N 1 3 358.530 2.982 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418453160 513517666 /nfs/dbraw/zinc/51/76/66/513517666.db2.gz OWLDHICQZLCEFE-HXUWFJFHSA-N 1 3 354.498 2.980 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416004179 513533460 /nfs/dbraw/zinc/53/34/60/513533460.db2.gz IDUSPUGCPBHGSK-INIZCTEOSA-N 1 3 372.435 2.572 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418497875 513533419 /nfs/dbraw/zinc/53/34/19/513533419.db2.gz IUCJSDAEKDCCBF-FQEVSTJZSA-N 1 3 354.498 2.871 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418502728 513535793 /nfs/dbraw/zinc/53/57/93/513535793.db2.gz VSHCSBQFSVYDLG-FQEVSTJZSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000416015398 513539960 /nfs/dbraw/zinc/53/99/60/513539960.db2.gz WGBCHEFJKPESDM-ZBFHGGJFSA-N 1 3 372.435 2.572 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425412617 513551954 /nfs/dbraw/zinc/55/19/54/513551954.db2.gz ZYUGVEDHWUQASU-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO COc1ccc2oc(CN3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000435371210 513567303 /nfs/dbraw/zinc/56/73/03/513567303.db2.gz LXHXGDPMMNUHDP-BEFAXECRSA-N 1 3 371.481 2.522 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418596284 513571008 /nfs/dbraw/zinc/57/10/08/513571008.db2.gz ORQDYVLEBSOKGA-XLIONFOSSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418611291 513577093 /nfs/dbraw/zinc/57/70/93/513577093.db2.gz DFJLBESWPZZDJR-HXUWFJFHSA-N 1 3 360.546 2.710 20 0 FFADHO CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418629957 513582635 /nfs/dbraw/zinc/58/26/35/513582635.db2.gz WYBLVBWDCGTUDI-VQTJNVASSA-N 1 3 358.530 2.810 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418647480 513590754 /nfs/dbraw/zinc/59/07/54/513590754.db2.gz YHVNZTDBCXQPLC-UYAOXDASSA-N 1 3 356.514 2.533 20 0 FFADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418713404 513620257 /nfs/dbraw/zinc/62/02/57/513620257.db2.gz XYCKYVVDXBDBMS-CHWSQXEVSA-N 1 3 360.424 2.514 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418749941 513639550 /nfs/dbraw/zinc/63/95/50/513639550.db2.gz CXANSMCMWCXSOI-HNNXBMFYSA-N 1 3 374.501 2.599 20 0 FFADHO CN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000422245911 513656408 /nfs/dbraw/zinc/65/64/08/513656408.db2.gz QKMRIWKKNVZMTD-SOAGJPPSSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425602285 513657304 /nfs/dbraw/zinc/65/73/04/513657304.db2.gz ATPPFWCKQGUDTC-PKOBYXMFSA-N 1 3 374.529 2.965 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000430558188 513687407 /nfs/dbraw/zinc/68/74/07/513687407.db2.gz VHFIKUBXINHKOG-VXGBXAGGSA-N 1 3 372.282 2.976 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)N2CCCC2)cc1 ZINC000425663976 513687488 /nfs/dbraw/zinc/68/74/88/513687488.db2.gz QPIFQDAAJAAPMY-PWRODBHTSA-N 1 3 370.541 2.868 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)N2CCCC2)cc1 ZINC000425663976 513687491 /nfs/dbraw/zinc/68/74/91/513687491.db2.gz QPIFQDAAJAAPMY-PWRODBHTSA-N 1 3 370.541 2.868 20 0 FFADHO C[C@@](C[NH3+])(NCCC(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000430575457 513693551 /nfs/dbraw/zinc/69/35/51/513693551.db2.gz LERQJBKRXSAGSL-HNNXBMFYSA-N 1 3 358.255 2.634 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425685023 513702629 /nfs/dbraw/zinc/70/26/29/513702629.db2.gz RGGUURQGCDQJLA-OKZBNKHCSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425685023 513702635 /nfs/dbraw/zinc/70/26/35/513702635.db2.gz RGGUURQGCDQJLA-OKZBNKHCSA-N 1 3 350.551 2.623 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)C[C@H](N)c3ccccc3)CCCC2)CC1 ZINC000448244600 513715588 /nfs/dbraw/zinc/71/55/88/513715588.db2.gz VSLJMRFMRXZAQP-IBGZPJMESA-N 1 3 359.514 2.616 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)C(C)(C)C[NH+]3CCCC3)cc2)CC1 ZINC000416335451 513718036 /nfs/dbraw/zinc/71/80/36/513718036.db2.gz VAJPLFJQRRTERR-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000448253617 513719401 /nfs/dbraw/zinc/71/94/01/513719401.db2.gz BLSUUTSBVZBVIP-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000448253617 513719412 /nfs/dbraw/zinc/71/94/12/513719412.db2.gz BLSUUTSBVZBVIP-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000448253905 513719845 /nfs/dbraw/zinc/71/98/45/513719845.db2.gz ZBXSOXIOHGNZRH-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCCC[C@@H]1C ZINC000430765926 513743667 /nfs/dbraw/zinc/74/36/67/513743667.db2.gz WHIOCNALFYOEHD-IRXDYDNUSA-N 1 3 356.514 2.983 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000448468818 513764397 /nfs/dbraw/zinc/76/43/97/513764397.db2.gz WGQQHADIRMDXCZ-NHCUHLMSSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000448468818 513764402 /nfs/dbraw/zinc/76/44/02/513764402.db2.gz WGQQHADIRMDXCZ-NHCUHLMSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425936573 513801738 /nfs/dbraw/zinc/80/17/38/513801738.db2.gz JAKDRSAHGMPFPH-LSDHHAIUSA-N 1 3 360.502 2.540 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@H](C)C[NH+](C)C ZINC000425936573 513801745 /nfs/dbraw/zinc/80/17/45/513801745.db2.gz JAKDRSAHGMPFPH-LSDHHAIUSA-N 1 3 360.502 2.540 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CN(Cc2ccccc2)C1 ZINC000443069693 513862641 /nfs/dbraw/zinc/86/26/41/513862641.db2.gz NIOBCWFTUVOMSP-CTNGQTDRSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000422722579 513914398 /nfs/dbraw/zinc/91/43/98/513914398.db2.gz YKJXTCPSDCSVKR-BULFRSBZSA-N 1 3 371.500 2.747 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422722009 513914477 /nfs/dbraw/zinc/91/44/77/513914477.db2.gz WPEDJRQUYMXFNK-GUDVDZBRSA-N 1 3 350.528 2.751 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2Br)CC[NH2+]CC1 ZINC000422777572 513929386 /nfs/dbraw/zinc/92/93/86/513929386.db2.gz FSWHKYHRUYFPIN-CYBMUJFWSA-N 1 3 369.303 2.860 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccccc2Br)CC1 ZINC000422783517 513930158 /nfs/dbraw/zinc/93/01/58/513930158.db2.gz MYPGTPVEPVPQHE-ZENOOKHLSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422783517 513930164 /nfs/dbraw/zinc/93/01/64/513930164.db2.gz MYPGTPVEPVPQHE-ZENOOKHLSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787917 513932466 /nfs/dbraw/zinc/93/24/66/513932466.db2.gz MKCUYYLIPCEOPJ-IIAWOOMASA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787917 513932475 /nfs/dbraw/zinc/93/24/75/513932475.db2.gz MKCUYYLIPCEOPJ-IIAWOOMASA-N 1 3 360.420 2.714 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422789632 513933450 /nfs/dbraw/zinc/93/34/50/513933450.db2.gz OQPNPBQVRVHITD-BPUTZDHNSA-N 1 3 360.420 2.843 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422794464 513934315 /nfs/dbraw/zinc/93/43/15/513934315.db2.gz GSFYRZPNIIDXHI-RYQLBKOJSA-N 1 3 360.498 2.612 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422828176 513943632 /nfs/dbraw/zinc/94/36/32/513943632.db2.gz NTQXGUPTMPNYTM-PWIZWCRZSA-N 1 3 364.493 2.927 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000431647841 513956870 /nfs/dbraw/zinc/95/68/70/513956870.db2.gz LPLPVKVYQRKDDO-SFHVURJKSA-N 1 3 352.567 2.776 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416785142 513967537 /nfs/dbraw/zinc/96/75/37/513967537.db2.gz KSQVLEFFFZLMBD-FQEVSTJZSA-N 1 3 370.541 2.999 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422905318 513971169 /nfs/dbraw/zinc/97/11/69/513971169.db2.gz ZATVCTKFIBYDHV-CKEIUWERSA-N 1 3 352.320 2.863 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422948475 513987341 /nfs/dbraw/zinc/98/73/41/513987341.db2.gz RLJZHPYPXCIRLW-JKIFEVAISA-N 1 3 352.320 2.863 20 0 FFADHO CC1CCN([C@H](CNC(=O)N(C)C2CC[NH2+]CC2)c2cccs2)CC1 ZINC000416832124 513989285 /nfs/dbraw/zinc/98/92/85/513989285.db2.gz IHRWZYPHXGDZQH-QGZVFWFLSA-N 1 3 364.559 2.915 20 0 FFADHO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CCC[C@@H]3N)c2)cc1 ZINC000422959429 513992159 /nfs/dbraw/zinc/99/21/59/513992159.db2.gz RXMYZXZQHGWOSI-VQTJNVASSA-N 1 3 369.465 2.796 20 0 FFADHO O[C@@H]1C[C@H](C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)N(Cc2ccccc2)C1 ZINC000422965077 513993501 /nfs/dbraw/zinc/99/35/01/513993501.db2.gz NMVTZFZFGADQDP-SSGKUCQKSA-N 1 3 365.521 2.705 20 0 FFADHO O[C@@H]1C[C@H](CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)N(Cc2ccccc2)C1 ZINC000422965077 513993507 /nfs/dbraw/zinc/99/35/07/513993507.db2.gz NMVTZFZFGADQDP-SSGKUCQKSA-N 1 3 365.521 2.705 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000416840864 513995821 /nfs/dbraw/zinc/99/58/21/513995821.db2.gz LJXMJHUEILSLBS-OAGGEKHMSA-N 1 3 350.532 2.654 20 0 FFADHO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N(C)C)cc1OC ZINC000422986489 514000877 /nfs/dbraw/zinc/00/08/77/514000877.db2.gz HAEHBQGYZGWOMK-IFXJQAMLSA-N 1 3 372.513 2.819 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)Cc1ccccc1 ZINC000416851151 514003567 /nfs/dbraw/zinc/00/35/67/514003567.db2.gz QSVJNUNISPVCPW-SFTDATJTSA-N 1 3 368.525 2.939 20 0 FFADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195113 514006511 /nfs/dbraw/zinc/00/65/11/514006511.db2.gz NQLFIFPIFOHOPP-NRFANRHFSA-N 1 3 359.558 2.640 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N2CCCC2)c1 ZINC000416856015 514006468 /nfs/dbraw/zinc/00/64/68/514006468.db2.gz QOQLASOIECYFHA-PZJWPPBQSA-N 1 3 374.529 2.521 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000416857082 514007243 /nfs/dbraw/zinc/00/72/43/514007243.db2.gz XPNJBYQTMPCMHX-KGLIPLIRSA-N 1 3 374.501 2.803 20 0 FFADHO CSc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414203281 514011339 /nfs/dbraw/zinc/01/13/39/514011339.db2.gz UZWLRJXAYRNZKH-QGZVFWFLSA-N 1 3 363.571 2.856 20 0 FFADHO C[N@H+](CCCNC(=O)NC[C@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000416866619 514013564 /nfs/dbraw/zinc/01/35/64/514013564.db2.gz BGXAXTGBAZCWJR-OAQYLSRUSA-N 1 3 366.509 2.695 20 0 FFADHO C[N@@H+](CCCNC(=O)NC[C@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000416866619 514013570 /nfs/dbraw/zinc/01/35/70/514013570.db2.gz BGXAXTGBAZCWJR-OAQYLSRUSA-N 1 3 366.509 2.695 20 0 FFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@@H]3CN)nc12 ZINC000423042543 514016773 /nfs/dbraw/zinc/01/67/73/514016773.db2.gz ZQXYBIOYUQJFFS-IUODEOHRSA-N 1 3 351.292 2.665 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCC[C@@H]3C[NH3+])nc12 ZINC000423042543 514016780 /nfs/dbraw/zinc/01/67/80/514016780.db2.gz ZQXYBIOYUQJFFS-IUODEOHRSA-N 1 3 351.292 2.665 20 0 FFADHO Cc1cccc(C[C@H](CO)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423053585 514019795 /nfs/dbraw/zinc/01/97/95/514019795.db2.gz ATUWELIMZYQMMQ-CBQOVEMMSA-N 1 3 352.478 2.744 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000414263101 514026240 /nfs/dbraw/zinc/02/62/40/514026240.db2.gz JAYNXOJTUYECDX-MKJVIKKCSA-N 1 3 359.558 2.842 20 0 FFADHO OC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCN(Cc2ccccc2)CC1 ZINC000414296976 514037969 /nfs/dbraw/zinc/03/79/69/514037969.db2.gz GAANKJJEXXHBBL-HBMCJLEFSA-N 1 3 370.537 2.951 20 0 FFADHO O=C(N1CCCC1)N1CCC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423105507 514042217 /nfs/dbraw/zinc/04/22/17/514042217.db2.gz NQGPWVVTEHBCGN-AABGKKOBSA-N 1 3 356.514 2.750 20 0 FFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)CC1 ZINC000414326923 514049213 /nfs/dbraw/zinc/04/92/13/514049213.db2.gz OBDAPHMXBCNBPY-UHFFFAOYSA-N 1 3 363.505 2.641 20 0 FFADHO Fc1ccc2c(c1)C[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000423128030 514052243 /nfs/dbraw/zinc/05/22/43/514052243.db2.gz UQUVVDVQJUCCOS-MDKPJZGXSA-N 1 3 354.425 2.975 20 0 FFADHO CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H](C)c3cnccc3N)CC2)cc1 ZINC000423148763 514060100 /nfs/dbraw/zinc/06/01/00/514060100.db2.gz GNJTXNRJUONNBH-HNNXBMFYSA-N 1 3 367.497 2.768 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449071498 514060602 /nfs/dbraw/zinc/06/06/02/514060602.db2.gz HHJUTROOBLHMQO-INIZCTEOSA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)C[NH+]1CCC(NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449071498 514060603 /nfs/dbraw/zinc/06/06/03/514060603.db2.gz HHJUTROOBLHMQO-INIZCTEOSA-N 1 3 352.544 2.904 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431995916 514061064 /nfs/dbraw/zinc/06/10/64/514061064.db2.gz QLXBLDIEMUWROW-RBSFLKMASA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431995916 514061073 /nfs/dbraw/zinc/06/10/73/514061073.db2.gz QLXBLDIEMUWROW-RBSFLKMASA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150772 514061943 /nfs/dbraw/zinc/06/19/43/514061943.db2.gz CGYVWUAWKYZYFG-IFIJOSMWSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150772 514061945 /nfs/dbraw/zinc/06/19/45/514061945.db2.gz CGYVWUAWKYZYFG-IFIJOSMWSA-N 1 3 373.310 2.717 20 0 FFADHO Brc1cccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423160148 514064503 /nfs/dbraw/zinc/06/45/03/514064503.db2.gz HCAYYKRQEKAINC-GVDBMIGSSA-N 1 3 353.304 2.738 20 0 FFADHO Brc1ccc2c(c1)[C@H](NCCCN1CC[NH2+]CC1)CCCO2 ZINC000423175304 514069031 /nfs/dbraw/zinc/06/90/31/514069031.db2.gz DOZDXAPHKWHNOR-MRXNPFEDSA-N 1 3 368.319 2.548 20 0 FFADHO Cc1cc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414373625 514073212 /nfs/dbraw/zinc/07/32/12/514073212.db2.gz ZNXNNXJOGSRWHU-UHFFFAOYSA-N 1 3 356.514 2.889 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@H]21 ZINC000420300682 514079939 /nfs/dbraw/zinc/07/99/39/514079939.db2.gz DAEWMUOOEJTRIO-MCPWVCTESA-N 1 3 351.853 2.644 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]21 ZINC000420300681 514080402 /nfs/dbraw/zinc/08/04/02/514080402.db2.gz DAEWMUOOEJTRIO-KVPRVUCYSA-N 1 3 351.853 2.644 20 0 FFADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCCN1Cc1ccc(F)cc1F ZINC000420300283 514080792 /nfs/dbraw/zinc/08/07/92/514080792.db2.gz CFYKQTYZNHZMIB-GOSISDBHSA-N 1 3 363.452 2.531 20 0 FFADHO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc(OCCN(C)C)c1 ZINC000423235320 514088099 /nfs/dbraw/zinc/08/80/99/514088099.db2.gz QVYZEMJUPOMHLN-KRWDZBQOSA-N 1 3 369.513 2.605 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416982320 514089680 /nfs/dbraw/zinc/08/96/80/514089680.db2.gz WCWNBCFCHCZSJC-YLJYHZDGSA-N 1 3 358.530 2.605 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN[C@H](C)[C@@H]3C)cc2)CC1 ZINC000416985102 514092607 /nfs/dbraw/zinc/09/26/07/514092607.db2.gz YMZBFRYYNRRHRI-MSOLQXFVSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420326366 514094866 /nfs/dbraw/zinc/09/48/66/514094866.db2.gz CFWAJJFMJVYTJI-UIFIKXQLSA-N 1 3 357.542 2.994 20 0 FFADHO CCC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000449161106 514097212 /nfs/dbraw/zinc/09/72/12/514097212.db2.gz NTWLSYQIDGYYTO-CQSZACIVSA-N 1 3 359.436 2.984 20 0 FFADHO Cn1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449159469 514097434 /nfs/dbraw/zinc/09/74/34/514097434.db2.gz GNXPMLJLNYLBKE-MRXNPFEDSA-N 1 3 372.488 2.817 20 0 FFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000420380863 514116248 /nfs/dbraw/zinc/11/62/48/514116248.db2.gz OONLYHUTKKCYDR-AZUAARDMSA-N 1 3 370.497 2.888 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000417011371 514116281 /nfs/dbraw/zinc/11/62/81/514116281.db2.gz RVBQJEDDCHXPKH-SJORKVTESA-N 1 3 352.548 2.948 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc2o1 ZINC000420384374 514120952 /nfs/dbraw/zinc/12/09/52/514120952.db2.gz RRNACUJIPWHLEC-FXAWDEMLSA-N 1 3 372.465 2.938 20 0 FFADHO CC1(C)[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000423382412 514123208 /nfs/dbraw/zinc/12/32/08/514123208.db2.gz IMWFAIGERUPFTN-ZACQAIPSSA-N 1 3 355.448 2.994 20 0 FFADHO C[C@@H](Cc1coc2ccccc12)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423382047 514123511 /nfs/dbraw/zinc/12/35/11/514123511.db2.gz GCJZYCKPLRIRGA-SUMWQHHRSA-N 1 3 355.404 2.790 20 0 FFADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391884 514126252 /nfs/dbraw/zinc/12/62/52/514126252.db2.gz PQBBJXOSFNIKGM-SJORKVTESA-N 1 3 371.447 2.843 20 0 FFADHO C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@H](c1ccccc1)N1CCOCC1 ZINC000423393797 514126782 /nfs/dbraw/zinc/12/67/82/514126782.db2.gz RAUFLZWBGUDFKJ-HTAPYJJXSA-N 1 3 351.494 2.841 20 0 FFADHO [NH3+]CCCN(CC1CCCC1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000417036183 514134418 /nfs/dbraw/zinc/13/44/18/514134418.db2.gz STPQJRRQPXIBAV-UHFFFAOYSA-N 1 3 372.557 2.985 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417049506 514142580 /nfs/dbraw/zinc/14/25/80/514142580.db2.gz UICYBPQZIDHGHM-FXAWDEMLSA-N 1 3 358.530 2.827 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417049506 514142584 /nfs/dbraw/zinc/14/25/84/514142584.db2.gz UICYBPQZIDHGHM-FXAWDEMLSA-N 1 3 358.530 2.827 20 0 FFADHO CCc1oc2ccccc2c1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414481917 514144472 /nfs/dbraw/zinc/14/44/72/514144472.db2.gz LGNYQIHBIYFTIP-UHFFFAOYSA-N 1 3 371.525 2.881 20 0 FFADHO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1Cl ZINC000414484681 514145088 /nfs/dbraw/zinc/14/50/88/514145088.db2.gz ONWLQRQMTABMHL-UHFFFAOYSA-N 1 3 351.922 2.535 20 0 FFADHO CC(C)[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414486911 514145170 /nfs/dbraw/zinc/14/51/70/514145170.db2.gz RKGNLPYOXQVANG-OAQYLSRUSA-N 1 3 359.558 2.812 20 0 FFADHO Cc1cc2cc(C[NH2+]CC3(N4CCOCC4)CCN(C)CC3)oc2cc1C ZINC000414487506 514145316 /nfs/dbraw/zinc/14/53/16/514145316.db2.gz SIFWGRJHLMMKOY-UHFFFAOYSA-N 1 3 371.525 2.936 20 0 FFADHO CSC1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CC[NH+](C)CC1 ZINC000427211685 514151359 /nfs/dbraw/zinc/15/13/59/514151359.db2.gz MDMIDDAFVMNXHJ-QGZVFWFLSA-N 1 3 353.576 2.727 20 0 FFADHO NC[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000417079642 514157480 /nfs/dbraw/zinc/15/74/80/514157480.db2.gz NJKXYEFTCPDDCG-UFYCRDLUSA-N 1 3 352.482 2.766 20 0 FFADHO NC[C@H](NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000417079642 514157484 /nfs/dbraw/zinc/15/74/84/514157484.db2.gz NJKXYEFTCPDDCG-UFYCRDLUSA-N 1 3 352.482 2.766 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](CO)c2cccnc2)CC1 ZINC000449330206 514167556 /nfs/dbraw/zinc/16/75/56/514167556.db2.gz KKRXPXLIXGCVLT-WIYYLYMNSA-N 1 3 353.510 2.843 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449332212 514170138 /nfs/dbraw/zinc/17/01/38/514170138.db2.gz CIIBDOUUXSFYAO-JZWVFAODSA-N 1 3 363.505 2.869 20 0 FFADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCO1 ZINC000432414165 514187600 /nfs/dbraw/zinc/18/76/00/514187600.db2.gz QTCOFYHMQNXFIM-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2)CC1 ZINC000417217132 514238228 /nfs/dbraw/zinc/23/82/28/514238228.db2.gz QLNBHLJMFBPCGM-PCCBWWKXSA-N 1 3 370.541 2.853 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2)CC1 ZINC000417219954 514241136 /nfs/dbraw/zinc/24/11/36/514241136.db2.gz XICWIEAYCFYQBP-RBBKRZOGSA-N 1 3 370.541 2.855 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c2ccccc2)CC1 ZINC000417220146 514241509 /nfs/dbraw/zinc/24/15/09/514241509.db2.gz XKJRWQDFKRMEHR-YSIASYRMSA-N 1 3 358.530 2.838 20 0 FFADHO CCc1nc(C)c(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000432620387 514242894 /nfs/dbraw/zinc/24/28/94/514242894.db2.gz SDTMANSVTPDYTN-OAHLLOKOSA-N 1 3 367.563 2.894 20 0 FFADHO CCc1nc(C)c(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000432620387 514242902 /nfs/dbraw/zinc/24/29/02/514242902.db2.gz SDTMANSVTPDYTN-OAHLLOKOSA-N 1 3 367.563 2.894 20 0 FFADHO CN(C)CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccn1 ZINC000437831863 514246005 /nfs/dbraw/zinc/24/60/05/514246005.db2.gz DHWDMLXMLNRWOK-IBGZPJMESA-N 1 3 374.529 2.549 20 0 FFADHO CN(C)CCOc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC000437831863 514246013 /nfs/dbraw/zinc/24/60/13/514246013.db2.gz DHWDMLXMLNRWOK-IBGZPJMESA-N 1 3 374.529 2.549 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000414702297 514247830 /nfs/dbraw/zinc/24/78/30/514247830.db2.gz IGLQTWCKGQDYBM-HNNXBMFYSA-N 1 3 365.468 2.907 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000414702297 514247835 /nfs/dbraw/zinc/24/78/35/514247835.db2.gz IGLQTWCKGQDYBM-HNNXBMFYSA-N 1 3 365.468 2.907 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000449550083 514250135 /nfs/dbraw/zinc/25/01/35/514250135.db2.gz CBMSWIGQUPNEHM-SBHAEUEKSA-N 1 3 357.542 2.811 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000449550083 514250138 /nfs/dbraw/zinc/25/01/38/514250138.db2.gz CBMSWIGQUPNEHM-SBHAEUEKSA-N 1 3 357.542 2.811 20 0 FFADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423849716 514262037 /nfs/dbraw/zinc/26/20/37/514262037.db2.gz OVPLHEXOPCIRLK-UYAOXDASSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423849716 514262047 /nfs/dbraw/zinc/26/20/47/514262047.db2.gz OVPLHEXOPCIRLK-UYAOXDASSA-N 1 3 355.526 2.889 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C[NH3+])CC(C)C)c(C)c2)CC1 ZINC000414750639 514272195 /nfs/dbraw/zinc/27/21/95/514272195.db2.gz MFXGVNRHKUOHBA-QGZVFWFLSA-N 1 3 361.534 2.632 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000417291973 514277661 /nfs/dbraw/zinc/27/76/61/514277661.db2.gz BSVKZEXJPALNEH-HNNXBMFYSA-N 1 3 360.424 2.607 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)N(C)C)cc1 ZINC000417303027 514283866 /nfs/dbraw/zinc/28/38/66/514283866.db2.gz CYSWDWAVXFPONV-AABGKKOBSA-N 1 3 358.530 2.629 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(CC[NH3+])Cc2ccccc2)N(C)C)cc1 ZINC000417312441 514288733 /nfs/dbraw/zinc/28/87/33/514288733.db2.gz NSVPINLUSZFPKF-FQEVSTJZSA-N 1 3 354.498 2.768 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414793500 514296769 /nfs/dbraw/zinc/29/67/69/514296769.db2.gz DNBOZTWVGIDARC-GJYPPUQNSA-N 1 3 357.498 2.949 20 0 FFADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414821222 514309186 /nfs/dbraw/zinc/30/91/86/514309186.db2.gz KZTIGRKIOZPZKI-JKSUJKDBSA-N 1 3 374.529 2.662 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000417358481 514310344 /nfs/dbraw/zinc/31/03/44/514310344.db2.gz TYVOHXSPAVUOGC-VQTJNVASSA-N 1 3 356.514 2.668 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)N2CCCC2)cc1 ZINC000417360572 514312081 /nfs/dbraw/zinc/31/20/81/514312081.db2.gz XJYZZAUMIQXOCK-HBMCJLEFSA-N 1 3 370.541 2.773 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414829152 514313624 /nfs/dbraw/zinc/31/36/24/514313624.db2.gz NFBGCTPGXHXLQI-CHWSQXEVSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414829152 514313631 /nfs/dbraw/zinc/31/36/31/514313631.db2.gz NFBGCTPGXHXLQI-CHWSQXEVSA-N 1 3 354.292 2.755 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CCC[NH2+]C1 ZINC000414829157 514314366 /nfs/dbraw/zinc/31/43/66/514314366.db2.gz NFBGCTPGXHXLQI-STQMWFEESA-N 1 3 354.292 2.755 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414829157 514314368 /nfs/dbraw/zinc/31/43/68/514314368.db2.gz NFBGCTPGXHXLQI-STQMWFEESA-N 1 3 354.292 2.755 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420818319 514317545 /nfs/dbraw/zinc/31/75/45/514317545.db2.gz KYWNZXCMJIRNDV-OXHPOLQJSA-N 1 3 358.530 2.994 20 0 FFADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000449718806 514321817 /nfs/dbraw/zinc/32/18/17/514321817.db2.gz PPIHMOSSKSKSDA-JFIYKMOQSA-N 1 3 369.431 2.685 20 0 FFADHO CC(C)Sc1cc(Br)ccc1CNCCN1CC[NH2+]CC1 ZINC000414859076 514327472 /nfs/dbraw/zinc/32/74/72/514327472.db2.gz AMTCCGUJRHEZHC-UHFFFAOYSA-N 1 3 372.376 2.944 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc3c(c2)CNC3)c1 ZINC000417414976 514341396 /nfs/dbraw/zinc/34/13/96/514341396.db2.gz YQKYGDSEIRPIJY-UHFFFAOYSA-N 1 3 352.482 2.741 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc3c(c2)CNC3)c1 ZINC000417414976 514341401 /nfs/dbraw/zinc/34/14/01/514341401.db2.gz YQKYGDSEIRPIJY-UHFFFAOYSA-N 1 3 352.482 2.741 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNCC1(C)CC[NH2+]CC1 ZINC000414913331 514354376 /nfs/dbraw/zinc/35/43/76/514354376.db2.gz WHOOSBPUWNAQPD-UHFFFAOYSA-N 1 3 356.470 2.528 20 0 FFADHO Cc1nc2ccc(CNC[C@H](N3CC[NH2+]CC3)C(F)(F)F)cc2s1 ZINC000414967281 514379729 /nfs/dbraw/zinc/37/97/29/514379729.db2.gz HIPTUAJMJRFIDZ-HNNXBMFYSA-N 1 3 358.433 2.530 20 0 FFADHO CCc1oc2ccccc2c1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414970404 514381007 /nfs/dbraw/zinc/38/10/07/514381007.db2.gz HJNUNGFNIOTNEL-QGZVFWFLSA-N 1 3 355.404 2.921 20 0 FFADHO CC[NH+]1CCC(N2CCCN(CCc3cccc(F)c3F)CC2)CC1 ZINC000420971999 514411377 /nfs/dbraw/zinc/41/13/77/514411377.db2.gz AFOSBZRRBRJTDO-UHFFFAOYSA-N 1 3 351.485 2.999 20 0 FFADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3ccc(C(=O)OC)o3)CC2)CC1 ZINC000420972933 514413270 /nfs/dbraw/zinc/41/32/70/514413270.db2.gz BPAOWOAHPXXQDB-INIZCTEOSA-N 1 3 363.502 2.619 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3ccc(C(=O)OC)o3)CC2)CC1 ZINC000420972933 514413279 /nfs/dbraw/zinc/41/32/79/514413279.db2.gz BPAOWOAHPXXQDB-INIZCTEOSA-N 1 3 363.502 2.619 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3ccc(C(=O)OC)o3)CC2)CC1 ZINC000420972933 514413282 /nfs/dbraw/zinc/41/32/82/514413282.db2.gz BPAOWOAHPXXQDB-INIZCTEOSA-N 1 3 363.502 2.619 20 0 FFADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000424321037 514456771 /nfs/dbraw/zinc/45/67/71/514456771.db2.gz IGNNISZZRDUJAL-JSXRDJHFSA-N 1 3 355.526 2.745 20 0 FFADHO COc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1OC ZINC000415132849 514460481 /nfs/dbraw/zinc/46/04/81/514460481.db2.gz MCSZEADLGBWLLB-UHFFFAOYSA-N 1 3 369.509 2.787 20 0 FFADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1F ZINC000461116657 514519340 /nfs/dbraw/zinc/51/93/40/514519340.db2.gz ZFUKQOXTEUHEQU-SFHVURJKSA-N 1 3 371.928 2.910 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000465939684 514526276 /nfs/dbraw/zinc/52/62/76/514526276.db2.gz XLWSVSOMEKNKDV-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466010532 514539141 /nfs/dbraw/zinc/53/91/41/514539141.db2.gz ATHMEUJABFMWRN-MBOZVWFJSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466010532 514539142 /nfs/dbraw/zinc/53/91/42/514539142.db2.gz ATHMEUJABFMWRN-MBOZVWFJSA-N 1 3 358.530 2.994 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)cc1 ZINC000466028093 514543574 /nfs/dbraw/zinc/54/35/74/514543574.db2.gz WQNSODSDINECTD-HXUWFJFHSA-N 1 3 360.546 2.595 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)cc1 ZINC000466028093 514543576 /nfs/dbraw/zinc/54/35/76/514543576.db2.gz WQNSODSDINECTD-HXUWFJFHSA-N 1 3 360.546 2.595 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)Cc1ccccc1 ZINC000466205551 514576362 /nfs/dbraw/zinc/57/63/62/514576362.db2.gz PONDXXUTRTZEJK-DZFGPLHGSA-N 1 3 372.557 2.721 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000466227581 514583020 /nfs/dbraw/zinc/58/30/20/514583020.db2.gz PIUNWRXJEQKWQV-UHOSZYNNSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCCN1C ZINC000466319247 514609567 /nfs/dbraw/zinc/60/95/67/514609567.db2.gz TYJVVSWNXGTEQZ-RPUPUWCGSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCCN1C ZINC000466319247 514609570 /nfs/dbraw/zinc/60/95/70/514609570.db2.gz TYJVVSWNXGTEQZ-RPUPUWCGSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000466348811 514617256 /nfs/dbraw/zinc/61/72/56/514617256.db2.gz XHZIKPOPTPOBCU-PCCBWWKXSA-N 1 3 373.541 2.663 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000466364665 514623243 /nfs/dbraw/zinc/62/32/43/514623243.db2.gz NWRYRODHWZFYST-GUGJDKNPSA-N 1 3 358.526 2.938 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000484466714 514660691 /nfs/dbraw/zinc/66/06/91/514660691.db2.gz MUIJPORNNXIBKP-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000484466714 514660701 /nfs/dbraw/zinc/66/07/01/514660701.db2.gz MUIJPORNNXIBKP-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000466500017 514665141 /nfs/dbraw/zinc/66/51/41/514665141.db2.gz RVGSXCIRZWJHNA-NSISKUIASA-N 1 3 362.562 2.813 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000466500017 514665153 /nfs/dbraw/zinc/66/51/53/514665153.db2.gz RVGSXCIRZWJHNA-NSISKUIASA-N 1 3 362.562 2.813 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000489058252 514689802 /nfs/dbraw/zinc/68/98/02/514689802.db2.gz COYFTFAAWYUUDG-RZUBCFFCSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000489058252 514689814 /nfs/dbraw/zinc/68/98/14/514689814.db2.gz COYFTFAAWYUUDG-RZUBCFFCSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000489066756 514692297 /nfs/dbraw/zinc/69/22/97/514692297.db2.gz CWDSKTPCYVBILZ-PGRDOPGGSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000489066756 514692306 /nfs/dbraw/zinc/69/23/06/514692306.db2.gz CWDSKTPCYVBILZ-PGRDOPGGSA-N 1 3 370.541 2.949 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000508208567 514706700 /nfs/dbraw/zinc/70/67/00/514706700.db2.gz ZMFLLKATMZHEND-UHFFFAOYSA-N 1 3 372.557 2.777 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000479790254 514725644 /nfs/dbraw/zinc/72/56/44/514725644.db2.gz RMEVDZZUYQJGNK-YJBOKZPZSA-N 1 3 350.482 2.602 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000484646302 514727507 /nfs/dbraw/zinc/72/75/07/514727507.db2.gz UMXIKSPJKGGVCV-FQEVSTJZSA-N 1 3 372.488 2.860 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000484646302 514727519 /nfs/dbraw/zinc/72/75/19/514727519.db2.gz UMXIKSPJKGGVCV-FQEVSTJZSA-N 1 3 372.488 2.860 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000479813649 514733288 /nfs/dbraw/zinc/73/32/88/514733288.db2.gz JDFUGRFNJGBDLK-YESZJQIVSA-N 1 3 350.507 2.882 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)[C@H]1c1cccs1 ZINC000458419610 514782899 /nfs/dbraw/zinc/78/28/99/514782899.db2.gz HIZXKZSPVTWAAO-ZBFHGGJFSA-N 1 3 352.548 2.770 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000489301913 514789992 /nfs/dbraw/zinc/78/99/92/514789992.db2.gz XZFOTJZNHSHFBS-VQTJNVASSA-N 1 3 372.557 2.995 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000466884426 514813422 /nfs/dbraw/zinc/81/34/22/514813422.db2.gz WDBMKIYFZZXPGD-UHFFFAOYSA-N 1 3 372.557 2.951 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000502861515 514815591 /nfs/dbraw/zinc/81/55/91/514815591.db2.gz LELWAJVBOBJGLE-FPOVZHCZSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000502861515 514815601 /nfs/dbraw/zinc/81/56/01/514815601.db2.gz LELWAJVBOBJGLE-FPOVZHCZSA-N 1 3 374.573 2.971 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000508579738 514828683 /nfs/dbraw/zinc/82/86/83/514828683.db2.gz QPSGVSBHPSUEDM-UXHICEINSA-N 1 3 361.530 2.560 20 0 FFADHO CN(C)[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000471408726 514873021 /nfs/dbraw/zinc/87/30/21/514873021.db2.gz GFKSCQLJRCYNTE-OAQYLSRUSA-N 1 3 351.494 2.854 20 0 FFADHO CN(C)[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000471408726 514873031 /nfs/dbraw/zinc/87/30/31/514873031.db2.gz GFKSCQLJRCYNTE-OAQYLSRUSA-N 1 3 351.494 2.854 20 0 FFADHO O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471427113 514886735 /nfs/dbraw/zinc/88/67/35/514886735.db2.gz IEEYFYIYERJJQV-JOCHJYFZSA-N 1 3 363.505 2.826 20 0 FFADHO O=C(CC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471427113 514886751 /nfs/dbraw/zinc/88/67/51/514886751.db2.gz IEEYFYIYERJJQV-JOCHJYFZSA-N 1 3 363.505 2.826 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000489548611 514891498 /nfs/dbraw/zinc/89/14/98/514891498.db2.gz IEEQHZMCOKNKIO-BWPNAZKDSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000489548611 514891505 /nfs/dbraw/zinc/89/15/05/514891505.db2.gz IEEQHZMCOKNKIO-BWPNAZKDSA-N 1 3 358.530 2.679 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489595237 514910608 /nfs/dbraw/zinc/91/06/08/514910608.db2.gz SJXZEVFRTLAGGR-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489595237 514910614 /nfs/dbraw/zinc/91/06/14/514910614.db2.gz SJXZEVFRTLAGGR-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO COC1(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCCC1 ZINC000480337642 514925729 /nfs/dbraw/zinc/92/57/29/514925729.db2.gz PORZYDNILGJVQO-UHFFFAOYSA-N 1 3 359.514 2.561 20 0 FFADHO COC1(C[NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCCCC1 ZINC000480377792 514938071 /nfs/dbraw/zinc/93/80/71/514938071.db2.gz PBIZRHRDOPFNOW-FQEVSTJZSA-N 1 3 373.541 2.823 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489777593 514972247 /nfs/dbraw/zinc/97/22/47/514972247.db2.gz LIZKEQAUCKMTMN-UAFMIMERSA-N 1 3 364.578 2.726 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489777593 514972254 /nfs/dbraw/zinc/97/22/54/514972254.db2.gz LIZKEQAUCKMTMN-UAFMIMERSA-N 1 3 364.578 2.726 20 0 FFADHO NC(=O)c1ccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471840350 515028943 /nfs/dbraw/zinc/02/89/43/515028943.db2.gz RWWONLOPBKLFEY-SFTDATJTSA-N 1 3 351.494 2.958 20 0 FFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000471840350 515028948 /nfs/dbraw/zinc/02/89/48/515028948.db2.gz RWWONLOPBKLFEY-SFTDATJTSA-N 1 3 351.494 2.958 20 0 FFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000471840350 515028952 /nfs/dbraw/zinc/02/89/52/515028952.db2.gz RWWONLOPBKLFEY-SFTDATJTSA-N 1 3 351.494 2.958 20 0 FFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@@H](C)C1 ZINC000489938804 515038709 /nfs/dbraw/zinc/03/87/09/515038709.db2.gz PLIICCNBEVBHAZ-HSROGRKHSA-N 1 3 370.541 2.804 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000458729752 515050524 /nfs/dbraw/zinc/05/05/24/515050524.db2.gz JJJNDIXYRVLCKR-RTBURBONSA-N 1 3 350.551 2.908 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000458729752 515050539 /nfs/dbraw/zinc/05/05/39/515050539.db2.gz JJJNDIXYRVLCKR-RTBURBONSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000458770773 515079858 /nfs/dbraw/zinc/07/98/58/515079858.db2.gz HRNALWCBISCEIN-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000458770773 515079868 /nfs/dbraw/zinc/07/98/68/515079868.db2.gz HRNALWCBISCEIN-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000503552318 515080685 /nfs/dbraw/zinc/08/06/85/515080685.db2.gz RJKPSBMDKITCNQ-YJBOKZPZSA-N 1 3 362.518 2.882 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000490184949 515132702 /nfs/dbraw/zinc/13/27/02/515132702.db2.gz QBXSVKKIOLXQQF-UHFFFAOYSA-N 1 3 364.534 2.865 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000490229748 515148009 /nfs/dbraw/zinc/14/80/09/515148009.db2.gz ISDHXARBZQBUCU-RBBKRZOGSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000490229748 515148020 /nfs/dbraw/zinc/14/80/20/515148020.db2.gz ISDHXARBZQBUCU-RBBKRZOGSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C[NH+]1CCCC1 ZINC000480972070 515157324 /nfs/dbraw/zinc/15/73/24/515157324.db2.gz PTAZMSKJYRFUQU-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458877136 515165237 /nfs/dbraw/zinc/16/52/37/515165237.db2.gz BBBBDIZKQIGXLX-GOSISDBHSA-N 1 3 364.559 2.748 20 0 FFADHO CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000458877136 515165238 /nfs/dbraw/zinc/16/52/38/515165238.db2.gz BBBBDIZKQIGXLX-GOSISDBHSA-N 1 3 364.559 2.748 20 0 FFADHO CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000476766900 515188485 /nfs/dbraw/zinc/18/84/85/515188485.db2.gz QUPRFDSLELXLGT-NRFANRHFSA-N 1 3 370.541 2.777 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2cccc(F)c2C)C1 ZINC000472280289 515200067 /nfs/dbraw/zinc/20/00/67/515200067.db2.gz UOTYSZUBRVQZPJ-KRWDZBQOSA-N 1 3 365.493 2.895 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000458936620 515213998 /nfs/dbraw/zinc/21/39/98/515213998.db2.gz IPBZOXLTKPUXGK-IRXDYDNUSA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000458936620 515214003 /nfs/dbraw/zinc/21/40/03/515214003.db2.gz IPBZOXLTKPUXGK-IRXDYDNUSA-N 1 3 374.520 2.869 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000458937797 515215671 /nfs/dbraw/zinc/21/56/71/515215671.db2.gz OEFDIARUAXYBIX-UXHICEINSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000458937797 515215679 /nfs/dbraw/zinc/21/56/79/515215679.db2.gz OEFDIARUAXYBIX-UXHICEINSA-N 1 3 364.578 2.870 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+](CCC(=O)OC)CC(C)C)CC1 ZINC000509545565 515227782 /nfs/dbraw/zinc/22/77/82/515227782.db2.gz UFXUJKFMNUUTHY-UHFFFAOYSA-N 1 3 361.530 2.850 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+](CCC(=O)OC)CC(C)C)CC1 ZINC000509545565 515227789 /nfs/dbraw/zinc/22/77/89/515227789.db2.gz UFXUJKFMNUUTHY-UHFFFAOYSA-N 1 3 361.530 2.850 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccco1 ZINC000509569713 515236831 /nfs/dbraw/zinc/23/68/31/515236831.db2.gz NSJUKAULMLCLGV-JKSUJKDBSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccco1 ZINC000509575044 515239350 /nfs/dbraw/zinc/23/93/50/515239350.db2.gz UWBBMTASFBZTPD-FJIDUMEYSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccco1 ZINC000509575044 515239355 /nfs/dbraw/zinc/23/93/55/515239355.db2.gz UWBBMTASFBZTPD-FJIDUMEYSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccco1 ZINC000509576918 515241299 /nfs/dbraw/zinc/24/12/99/515241299.db2.gz IUCWGRGWRBASTB-KSZLIROESA-N 1 3 362.518 2.979 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN([C@@H](CC)CO)CC3)c2cc1OCC ZINC000462927451 515302850 /nfs/dbraw/zinc/30/28/50/515302850.db2.gz PHPUIZINBPILDD-INIZCTEOSA-N 1 3 373.497 2.925 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459113222 515329743 /nfs/dbraw/zinc/32/97/43/515329743.db2.gz RXPOKHJDAHZWHD-UHFFFAOYSA-N 1 3 364.559 2.838 20 0 FFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491186418 515393171 /nfs/dbraw/zinc/39/31/71/515393171.db2.gz MFBMDTHBXBMJEC-YLJYHZDGSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491186418 515393190 /nfs/dbraw/zinc/39/31/90/515393190.db2.gz MFBMDTHBXBMJEC-YLJYHZDGSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)[C@H](CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1)[NH+]1CCCC1 ZINC000477342771 515419098 /nfs/dbraw/zinc/41/90/98/515419098.db2.gz UCGJSJNJXSDHHO-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000510403954 515528882 /nfs/dbraw/zinc/52/88/82/515528882.db2.gz XVKDRPOQYXWDHH-OALUTQOASA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000510403954 515528893 /nfs/dbraw/zinc/52/88/93/515528893.db2.gz XVKDRPOQYXWDHH-OALUTQOASA-N 1 3 372.557 2.679 20 0 FFADHO CN(C(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)[C@@H]1CCN(C2CC2)C1 ZINC000463767637 515608783 /nfs/dbraw/zinc/60/87/83/515608783.db2.gz KXELPYQOZAZUKX-KJXAQDMKSA-N 1 3 367.537 2.984 20 0 FFADHO CN(C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)[C@@H]1CCN(C2CC2)C1 ZINC000463767637 515608793 /nfs/dbraw/zinc/60/87/93/515608793.db2.gz KXELPYQOZAZUKX-KJXAQDMKSA-N 1 3 367.537 2.984 20 0 FFADHO CN(C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000463779082 515612548 /nfs/dbraw/zinc/61/25/48/515612548.db2.gz QVTXCTFTZBNQMH-HXUWFJFHSA-N 1 3 355.526 2.984 20 0 FFADHO C[NH+](C)CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000505635807 515618216 /nfs/dbraw/zinc/61/82/16/515618216.db2.gz WABGXMQPPBAVEX-GOSISDBHSA-N 1 3 365.468 2.696 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccc(OC)c1 ZINC000505764636 515661935 /nfs/dbraw/zinc/66/19/35/515661935.db2.gz BNWAYZUCWSMZAN-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccc(OC)c1 ZINC000505764636 515661944 /nfs/dbraw/zinc/66/19/44/515661944.db2.gz BNWAYZUCWSMZAN-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H](O)CN1CCCC1)CC2 ZINC000493934083 515690848 /nfs/dbraw/zinc/69/08/48/515690848.db2.gz FTJISFZLJQQEBI-HOTGVXAUSA-N 1 3 353.304 2.791 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494038142 515716768 /nfs/dbraw/zinc/71/67/68/515716768.db2.gz NJYXCZPVVMIDHI-HKUYNNGSSA-N 1 3 363.571 2.841 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC000510970817 515733172 /nfs/dbraw/zinc/73/31/72/515733172.db2.gz SYLVQEGVEUFPNH-ICSRJNTNSA-N 1 3 370.541 2.919 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000494406669 515833558 /nfs/dbraw/zinc/83/35/58/515833558.db2.gz QMYHFTFUPFZOKN-LJQANCHMSA-N 1 3 353.514 2.520 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000478491628 515845514 /nfs/dbraw/zinc/84/55/14/515845514.db2.gz MGJBNWUZHKSFHF-UHFFFAOYSA-N 1 3 362.518 2.641 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)N(C)C)cc1 ZINC000457476036 515900705 /nfs/dbraw/zinc/90/07/05/515900705.db2.gz KDDGBWQVHHPIIT-IRLDBZIGSA-N 1 3 372.557 2.979 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)N(C)C)cc1 ZINC000457476036 515900718 /nfs/dbraw/zinc/90/07/18/515900718.db2.gz KDDGBWQVHHPIIT-IRLDBZIGSA-N 1 3 372.557 2.979 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000469685055 515917954 /nfs/dbraw/zinc/91/79/54/515917954.db2.gz TUQXVUWDUVOEPZ-FPOVZHCZSA-N 1 3 372.557 2.530 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000469685055 515917965 /nfs/dbraw/zinc/91/79/65/515917965.db2.gz TUQXVUWDUVOEPZ-FPOVZHCZSA-N 1 3 372.557 2.530 20 0 FFADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCC(C)(C)C1 ZINC000474252251 515955787 /nfs/dbraw/zinc/95/57/87/515955787.db2.gz QFVMOGNGRXPNDE-SFHVURJKSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000483188991 515974503 /nfs/dbraw/zinc/97/45/03/515974503.db2.gz YINGOAHXIIDIIP-WMZOPIPTSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474308618 515985391 /nfs/dbraw/zinc/98/53/91/515985391.db2.gz UVZNMIXKBIJEJG-VGOFRKELSA-N 1 3 363.505 2.940 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@H](C)C1 ZINC000487860007 516011994 /nfs/dbraw/zinc/01/19/94/516011994.db2.gz ODAOLLAJBLTJJI-VAMGGRTRSA-N 1 3 364.578 2.870 20 0 FFADHO CN1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000479043721 516036295 /nfs/dbraw/zinc/03/62/95/516036295.db2.gz RINGQRPVJYSOGI-RBUKOAKNSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]1CN(CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000460133176 516041861 /nfs/dbraw/zinc/04/18/61/516041861.db2.gz VWCMWMBBDHJSCK-ROUUACIJSA-N 1 3 353.551 2.504 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1N1CCCC1 ZINC000483390915 516060971 /nfs/dbraw/zinc/06/09/71/516060971.db2.gz HHMSUCHEWHAGKQ-BHIYHBOVSA-N 1 3 365.587 2.679 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1N1CCCC1 ZINC000483390915 516060976 /nfs/dbraw/zinc/06/09/76/516060976.db2.gz HHMSUCHEWHAGKQ-BHIYHBOVSA-N 1 3 365.587 2.679 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000511903115 516074069 /nfs/dbraw/zinc/07/40/69/516074069.db2.gz YWGZMZWHOPTZAB-ZWKOTPCHSA-N 1 3 350.482 2.602 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000511903115 516074077 /nfs/dbraw/zinc/07/40/77/516074077.db2.gz YWGZMZWHOPTZAB-ZWKOTPCHSA-N 1 3 350.482 2.602 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000507077866 516080498 /nfs/dbraw/zinc/08/04/98/516080498.db2.gz PDBZDYVLVFLBSB-DLBZAZTESA-N 1 3 366.575 2.899 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000479191456 516098279 /nfs/dbraw/zinc/09/82/79/516098279.db2.gz SFJNAYHHKAGHPQ-UWVAXJGDSA-N 1 3 361.505 2.981 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000479191456 516098284 /nfs/dbraw/zinc/09/82/84/516098284.db2.gz SFJNAYHHKAGHPQ-UWVAXJGDSA-N 1 3 361.505 2.981 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](CN)c3ccc(F)cc3)C2)CC1 ZINC000479191516 516099134 /nfs/dbraw/zinc/09/91/34/516099134.db2.gz TTYHFQBKVXXFHQ-FXAWDEMLSA-N 1 3 361.505 2.839 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H]1C ZINC000483514466 516116375 /nfs/dbraw/zinc/11/63/75/516116375.db2.gz AYEMQNRHBFQUMB-YZGWKJHDSA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H]1C ZINC000483514466 516116383 /nfs/dbraw/zinc/11/63/83/516116383.db2.gz AYEMQNRHBFQUMB-YZGWKJHDSA-N 1 3 360.546 2.674 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501516986 516136065 /nfs/dbraw/zinc/13/60/65/516136065.db2.gz GCNKCGNGNXTOIN-QUCCMNQESA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501516986 516136072 /nfs/dbraw/zinc/13/60/72/516136072.db2.gz GCNKCGNGNXTOIN-QUCCMNQESA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000501544206 516147854 /nfs/dbraw/zinc/14/78/54/516147854.db2.gz CKOYQYPPOZPFNJ-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000501544206 516147857 /nfs/dbraw/zinc/14/78/57/516147857.db2.gz CKOYQYPPOZPFNJ-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483675745 516164931 /nfs/dbraw/zinc/16/49/31/516164931.db2.gz AGLIDZVRJRRHRT-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483675745 516164938 /nfs/dbraw/zinc/16/49/38/516164938.db2.gz AGLIDZVRJRRHRT-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483686811 516172124 /nfs/dbraw/zinc/17/21/24/516172124.db2.gz PVXGDMREYMSHSU-HXUWFJFHSA-N 1 3 358.530 2.633 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483686811 516172134 /nfs/dbraw/zinc/17/21/34/516172134.db2.gz PVXGDMREYMSHSU-HXUWFJFHSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H]1C ZINC000483702363 516180635 /nfs/dbraw/zinc/18/06/35/516180635.db2.gz PKUITVKZWPJBOP-RLLQIKCJSA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H]1C ZINC000483702363 516180644 /nfs/dbraw/zinc/18/06/44/516180644.db2.gz PKUITVKZWPJBOP-RLLQIKCJSA-N 1 3 360.546 2.674 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000501755141 516215385 /nfs/dbraw/zinc/21/53/85/516215385.db2.gz IWBABFYLHCJPLP-SVFBPWRDSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000501755141 516215389 /nfs/dbraw/zinc/21/53/89/516215389.db2.gz IWBABFYLHCJPLP-SVFBPWRDSA-N 1 3 372.557 2.928 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000512289758 516226807 /nfs/dbraw/zinc/22/68/07/516226807.db2.gz USZLEQSMHMMEJS-UDIDDNNKSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000512289758 516226815 /nfs/dbraw/zinc/22/68/15/516226815.db2.gz USZLEQSMHMMEJS-UDIDDNNKSA-N 1 3 369.553 2.740 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000512289758 516226825 /nfs/dbraw/zinc/22/68/25/516226825.db2.gz USZLEQSMHMMEJS-UDIDDNNKSA-N 1 3 369.553 2.740 20 0 FFADHO c1nnc(C2CC2)n1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507513683 516228480 /nfs/dbraw/zinc/22/84/80/516228480.db2.gz AJDBLRHSRIXIJC-SLFFLAALSA-N 1 3 351.498 2.656 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507513683 516228489 /nfs/dbraw/zinc/22/84/89/516228489.db2.gz AJDBLRHSRIXIJC-SLFFLAALSA-N 1 3 351.498 2.656 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507513683 516228498 /nfs/dbraw/zinc/22/84/98/516228498.db2.gz AJDBLRHSRIXIJC-SLFFLAALSA-N 1 3 351.498 2.656 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000457920456 516231303 /nfs/dbraw/zinc/23/13/03/516231303.db2.gz FCNYYGZTCBLYNV-KURKYZTESA-N 1 3 352.567 2.867 20 0 FFADHO C[C@@H](NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1=CCN(C)CC1 ZINC000488472019 516233791 /nfs/dbraw/zinc/23/37/91/516233791.db2.gz UNKMJBJXEPCLGK-XMSQKQJNSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@@H](NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1=CCN(C)CC1 ZINC000488472019 516233797 /nfs/dbraw/zinc/23/37/97/516233797.db2.gz UNKMJBJXEPCLGK-XMSQKQJNSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCCN1C ZINC000488538648 516253731 /nfs/dbraw/zinc/25/37/31/516253731.db2.gz SDXOYTXBVSHDSQ-LMNJBCLMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCCN1C ZINC000488538648 516253738 /nfs/dbraw/zinc/25/37/38/516253738.db2.gz SDXOYTXBVSHDSQ-LMNJBCLMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CC[N@@H+]1C ZINC000465802333 516259507 /nfs/dbraw/zinc/25/95/07/516259507.db2.gz BPDQVPMZDOVRCA-NVXWUHKLSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CC[N@H+]1C ZINC000465802333 516259513 /nfs/dbraw/zinc/25/95/13/516259513.db2.gz BPDQVPMZDOVRCA-NVXWUHKLSA-N 1 3 364.559 2.742 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000488595476 516270288 /nfs/dbraw/zinc/27/02/88/516270288.db2.gz NBHUNHXKQUYZGI-QGZVFWFLSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)s1 ZINC000512684602 516321375 /nfs/dbraw/zinc/32/13/75/516321375.db2.gz GHECSPNOSSFWNQ-CQSZACIVSA-N 1 3 357.951 2.819 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)s1 ZINC000512684602 516321376 /nfs/dbraw/zinc/32/13/76/516321376.db2.gz GHECSPNOSSFWNQ-CQSZACIVSA-N 1 3 357.951 2.819 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000497451038 516322715 /nfs/dbraw/zinc/32/27/15/516322715.db2.gz HWDBUONHHZSAEC-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000497510605 516324666 /nfs/dbraw/zinc/32/46/66/516324666.db2.gz ZRXQPCLNFMLTCW-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000497510605 516324667 /nfs/dbraw/zinc/32/46/67/516324667.db2.gz ZRXQPCLNFMLTCW-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000497563630 516326633 /nfs/dbraw/zinc/32/66/33/516326633.db2.gz CSBVHLNXPBIOPZ-FQEVSTJZSA-N 1 3 362.562 2.911 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)([NH+](C)C)C1 ZINC000522881114 516340217 /nfs/dbraw/zinc/34/02/17/516340217.db2.gz LGIWZRGUCHIWFW-CBQOVEMMSA-N 1 3 372.557 2.920 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561041479 516347442 /nfs/dbraw/zinc/34/74/42/516347442.db2.gz BFLLBLVLMKFHSI-FGZHOGPDSA-N 1 3 363.505 2.899 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561041479 516347453 /nfs/dbraw/zinc/34/74/53/516347453.db2.gz BFLLBLVLMKFHSI-FGZHOGPDSA-N 1 3 363.505 2.899 20 0 FFADHO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCCO3)[C@H]1c1ccccc1 ZINC000561060090 516358641 /nfs/dbraw/zinc/35/86/41/516358641.db2.gz CMKCJXLMFGRNKC-UYAOXDASSA-N 1 3 366.465 2.736 20 0 FFADHO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCCO3)[C@H]1c1ccccc1 ZINC000561060090 516358648 /nfs/dbraw/zinc/35/86/48/516358648.db2.gz CMKCJXLMFGRNKC-UYAOXDASSA-N 1 3 366.465 2.736 20 0 FFADHO COc1ccc(-c2ccncc2)cc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000547499692 516375170 /nfs/dbraw/zinc/37/51/70/516375170.db2.gz BVWQIBVOCSWIKH-UHFFFAOYSA-N 1 3 368.525 2.874 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000517627749 516390601 /nfs/dbraw/zinc/39/06/01/516390601.db2.gz WSTCYEGNVVUSMP-PXNSSMCTSA-N 1 3 360.546 2.531 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531482950 516491017 /nfs/dbraw/zinc/49/10/17/516491017.db2.gz ANDAQCYOCHQWSQ-NRSPTQNISA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531482950 516491022 /nfs/dbraw/zinc/49/10/22/516491022.db2.gz ANDAQCYOCHQWSQ-NRSPTQNISA-N 1 3 372.557 2.927 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1sccc1C ZINC000540300842 516505329 /nfs/dbraw/zinc/50/53/29/516505329.db2.gz GVWGZKBEGGKTTD-QGZVFWFLSA-N 1 3 366.575 2.657 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1sccc1C ZINC000540300842 516505342 /nfs/dbraw/zinc/50/53/42/516505342.db2.gz GVWGZKBEGGKTTD-QGZVFWFLSA-N 1 3 366.575 2.657 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)N(C)C)cc1 ZINC000535940779 516565666 /nfs/dbraw/zinc/56/56/66/516565666.db2.gz OYTJQJRXTQXZMA-SFTDATJTSA-N 1 3 372.557 2.971 20 0 FFADHO COc1cccc2c1CC[C@H]([NH2+]Cc1ccncc1OCCN(C)C)C2 ZINC000554742645 516613690 /nfs/dbraw/zinc/61/36/90/516613690.db2.gz TWHYENHQNDKIIY-SFHVURJKSA-N 1 3 355.482 2.678 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@@H+](C2CCC2)C1 ZINC000528704349 516630631 /nfs/dbraw/zinc/63/06/31/516630631.db2.gz HQIZTDNQXYWZMG-OAHLLOKOSA-N 1 3 358.486 2.507 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCCNC3)CC[N@H+](C2CCC2)C1 ZINC000528704349 516630638 /nfs/dbraw/zinc/63/06/38/516630638.db2.gz HQIZTDNQXYWZMG-OAHLLOKOSA-N 1 3 358.486 2.507 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000524135329 516650061 /nfs/dbraw/zinc/65/00/61/516650061.db2.gz BKGRVRYOAYMUKR-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000524135329 516650068 /nfs/dbraw/zinc/65/00/68/516650068.db2.gz BKGRVRYOAYMUKR-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000536212181 516676448 /nfs/dbraw/zinc/67/64/48/516676448.db2.gz ACIWMNXJTSKIET-PMACEKPBSA-N 1 3 373.545 2.590 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000536212181 516676452 /nfs/dbraw/zinc/67/64/52/516676452.db2.gz ACIWMNXJTSKIET-PMACEKPBSA-N 1 3 373.545 2.590 20 0 FFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000518492134 516679155 /nfs/dbraw/zinc/67/91/55/516679155.db2.gz HDCFHJRRVUWEBN-QUCCMNQESA-N 1 3 358.461 2.934 20 0 FFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000518492133 516679940 /nfs/dbraw/zinc/67/99/40/516679940.db2.gz HDCFHJRRVUWEBN-ICSRJNTNSA-N 1 3 358.461 2.934 20 0 FFADHO CC[C@H](OC1CCCCC1)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000531859326 516679941 /nfs/dbraw/zinc/67/99/41/516679941.db2.gz ORYRYIFAWCVIJW-IBGZPJMESA-N 1 3 360.502 2.900 20 0 FFADHO CN1CCN([C@@H](CNC2CC[NH+](CC3CC3)CC2)c2cccs2)CC1 ZINC000531932452 516722195 /nfs/dbraw/zinc/72/21/95/516722195.db2.gz HMRRHINOETWYHH-IBGZPJMESA-N 1 3 362.587 2.501 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000514058836 516846324 /nfs/dbraw/zinc/84/63/24/516846324.db2.gz DHJOCKAYPHUVNQ-RSPOEFSDSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000514058836 516846328 /nfs/dbraw/zinc/84/63/28/516846328.db2.gz DHJOCKAYPHUVNQ-RSPOEFSDSA-N 1 3 356.514 2.748 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000561976476 516856987 /nfs/dbraw/zinc/85/69/87/516856987.db2.gz HYNPPNRIRSANPY-HOTGVXAUSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000561976476 516856997 /nfs/dbraw/zinc/85/69/97/516856997.db2.gz HYNPPNRIRSANPY-HOTGVXAUSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c1 ZINC000561976476 516857007 /nfs/dbraw/zinc/85/70/07/516857007.db2.gz HYNPPNRIRSANPY-HOTGVXAUSA-N 1 3 363.502 2.741 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@@H]1C ZINC000524880387 516857474 /nfs/dbraw/zinc/85/74/74/516857474.db2.gz VGLROFGDSWAWGB-SXLOBPIMSA-N 1 3 358.530 2.625 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@@H]1C ZINC000524880387 516857480 /nfs/dbraw/zinc/85/74/80/516857480.db2.gz VGLROFGDSWAWGB-SXLOBPIMSA-N 1 3 358.530 2.625 20 0 FFADHO Cc1ccc(C[N@@H+](C)CCCN(C)CCN(C)C)c(-c2ccnn2C)c1 ZINC000561981974 516862755 /nfs/dbraw/zinc/86/27/55/516862755.db2.gz HQVCGTKRLPBPRF-UHFFFAOYSA-N 1 3 357.546 2.711 20 0 FFADHO Cc1ccc(C[N@H+](C)CCCN(C)CCN(C)C)c(-c2ccnn2C)c1 ZINC000561981974 516862765 /nfs/dbraw/zinc/86/27/65/516862765.db2.gz HQVCGTKRLPBPRF-UHFFFAOYSA-N 1 3 357.546 2.711 20 0 FFADHO CO[C@H](C)CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000524894955 516863536 /nfs/dbraw/zinc/86/35/36/516863536.db2.gz DEVCLAGBNKHCOC-GOSISDBHSA-N 1 3 361.530 2.644 20 0 FFADHO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN(C2CCCCC2)CC1 ZINC000532232211 516865956 /nfs/dbraw/zinc/86/59/56/516865956.db2.gz SGOXZHMRXMRKTD-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN(C2CCCCC2)CC1 ZINC000532232211 516865964 /nfs/dbraw/zinc/86/59/64/516865964.db2.gz SGOXZHMRXMRKTD-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000514189516 516894165 /nfs/dbraw/zinc/89/41/65/516894165.db2.gz ILOVSJZUWBTLCD-QUCCMNQESA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514232278 516915653 /nfs/dbraw/zinc/91/56/53/516915653.db2.gz JWDZWOLPWIBMEV-KURKYZTESA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514232278 516915667 /nfs/dbraw/zinc/91/56/67/516915667.db2.gz JWDZWOLPWIBMEV-KURKYZTESA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000536947165 516990333 /nfs/dbraw/zinc/99/03/33/516990333.db2.gz LWERQBXJPHHVFE-JKSUJKDBSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000536947165 516990342 /nfs/dbraw/zinc/99/03/42/516990342.db2.gz LWERQBXJPHHVFE-JKSUJKDBSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529362019 517101681 /nfs/dbraw/zinc/10/16/81/517101681.db2.gz RHTMFKWANGORLT-IEBWSBKVSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1[NH2+]CCN(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@H]1C ZINC000529390230 517120805 /nfs/dbraw/zinc/12/08/05/517120805.db2.gz XWNUTWJZGSADNK-MKBNYLNASA-N 1 3 373.328 2.988 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000532836513 517162333 /nfs/dbraw/zinc/16/23/33/517162333.db2.gz BTKFKTSTFUKVMU-OALUTQOASA-N 1 3 358.530 2.823 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000532836513 517162339 /nfs/dbraw/zinc/16/23/39/517162339.db2.gz BTKFKTSTFUKVMU-OALUTQOASA-N 1 3 358.530 2.823 20 0 FFADHO CCc1nc2c(s1)[C@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CCC2 ZINC000537446277 517190716 /nfs/dbraw/zinc/19/07/16/517190716.db2.gz KBXHJTJCGKAIMB-ZBFHGGJFSA-N 1 3 366.575 2.765 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000515060607 517194667 /nfs/dbraw/zinc/19/46/67/517194667.db2.gz UNQNZSKIRWMQEA-GOTSBHOMSA-N 1 3 368.521 2.846 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000515060607 517194676 /nfs/dbraw/zinc/19/46/76/517194676.db2.gz UNQNZSKIRWMQEA-GOTSBHOMSA-N 1 3 368.521 2.846 20 0 FFADHO COc1cc(C)c(C[C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000548793397 517217829 /nfs/dbraw/zinc/21/78/29/517217829.db2.gz GGIFOFTZSRYWHJ-SFHVURJKSA-N 1 3 363.546 2.560 20 0 FFADHO C[C@@H](NC(=O)CCN(C)c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541855276 517252414 /nfs/dbraw/zinc/25/24/14/517252414.db2.gz OZFTUTQEBZSKNR-QUCCMNQESA-N 1 3 366.509 2.935 20 0 FFADHO C[C@@H](NC(=O)CCN(C)c1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541855276 517252424 /nfs/dbraw/zinc/25/24/24/517252424.db2.gz OZFTUTQEBZSKNR-QUCCMNQESA-N 1 3 366.509 2.935 20 0 FFADHO CC[C@H](O)C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000515234214 517266821 /nfs/dbraw/zinc/26/68/21/517266821.db2.gz BSTRTDYREYEEIB-SFHVURJKSA-N 1 3 373.463 2.968 20 0 FFADHO [NH3+]CC1CCC([NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)CC1 ZINC000515346354 517310772 /nfs/dbraw/zinc/31/07/72/517310772.db2.gz KAAKSHJIWMHJCJ-UHFFFAOYSA-N 1 3 364.291 2.841 20 0 FFADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)C(C)(C)C ZINC000559767249 517419742 /nfs/dbraw/zinc/41/97/42/517419742.db2.gz QAQMFMNSBIOELJ-QZTJIDSGSA-N 1 3 367.559 2.667 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000556440820 517431641 /nfs/dbraw/zinc/43/16/41/517431641.db2.gz FMNOYJVHLGXXSG-QUCCMNQESA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000556440820 517431648 /nfs/dbraw/zinc/43/16/48/517431648.db2.gz FMNOYJVHLGXXSG-QUCCMNQESA-N 1 3 358.530 2.948 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000515730954 517459873 /nfs/dbraw/zinc/45/98/73/517459873.db2.gz PAAJNLJQJWKVJD-OAQYLSRUSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CN)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515840251 517492274 /nfs/dbraw/zinc/49/22/74/517492274.db2.gz IOGOPJUNXVOMJH-DJPFJPOOSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CN)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000515840251 517492281 /nfs/dbraw/zinc/49/22/81/517492281.db2.gz IOGOPJUNXVOMJH-DJPFJPOOSA-N 1 3 370.541 2.907 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000530030306 517514054 /nfs/dbraw/zinc/51/40/54/517514054.db2.gz SHSPSSGUTQRPPF-IBGZPJMESA-N 1 3 356.514 2.740 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc2)CC1 ZINC000542488512 517590993 /nfs/dbraw/zinc/59/09/93/517590993.db2.gz TUKRLQOGIOQXHH-KRWDZBQOSA-N 1 3 360.546 2.929 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000533819609 517628182 /nfs/dbraw/zinc/62/81/82/517628182.db2.gz OJMPSIPGDXEKSC-RTWAWAEBSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000533819611 517628295 /nfs/dbraw/zinc/62/82/95/517628295.db2.gz OJMPSIPGDXEKSC-SFTDATJTSA-N 1 3 372.557 2.533 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530222108 517637464 /nfs/dbraw/zinc/63/74/64/517637464.db2.gz QGPMNTWTANXFAC-MDZRGWNJSA-N 1 3 367.493 2.858 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000542592822 517644095 /nfs/dbraw/zinc/64/40/95/517644095.db2.gz ICXDEIBGKFFYOS-UHFFFAOYSA-N 1 3 367.541 2.722 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000563092677 517652953 /nfs/dbraw/zinc/65/29/53/517652953.db2.gz PZPOMXYQHKKEHW-AZUAARDMSA-N 1 3 358.530 2.765 20 0 FFADHO CCN1CCN(c2ccccc2NC(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000546570774 517731425 /nfs/dbraw/zinc/73/14/25/517731425.db2.gz ZGGAFIFMKRTJQS-UHFFFAOYSA-N 1 3 371.529 2.602 20 0 FFADHO CCN1CCN(c2ccccc2NC(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000546570774 517731434 /nfs/dbraw/zinc/73/14/34/517731434.db2.gz ZGGAFIFMKRTJQS-UHFFFAOYSA-N 1 3 371.529 2.602 20 0 FFADHO CC[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)N1CCc2ccccc2C1 ZINC000542782179 517737188 /nfs/dbraw/zinc/73/71/88/517737188.db2.gz AUMVOWDKOCQAPB-HXUWFJFHSA-N 1 3 366.509 2.861 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2CC(=O)OC)CC1 ZINC000538737907 517754934 /nfs/dbraw/zinc/75/49/34/517754934.db2.gz JTNRGBKYSGBEJV-LJQANCHMSA-N 1 3 359.514 2.746 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2CC(=O)OC)CC1 ZINC000538737907 517754945 /nfs/dbraw/zinc/75/49/45/517754945.db2.gz JTNRGBKYSGBEJV-LJQANCHMSA-N 1 3 359.514 2.746 20 0 FFADHO COc1cc2c(cc1CN1CCC(C[NH+]3CCOCC3)CC1)O[C@@H](C)C2 ZINC000534332280 517854642 /nfs/dbraw/zinc/85/46/42/517854642.db2.gz VAEFCEPCYUGBTG-INIZCTEOSA-N 1 3 360.498 2.563 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000557113347 517858629 /nfs/dbraw/zinc/85/86/29/517858629.db2.gz DVWPWNULVHMQRI-QFIPXVFZSA-N 1 3 370.541 2.745 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc4ccccc4[nH]3)CC2)CC1 ZINC000563373550 517859211 /nfs/dbraw/zinc/85/92/11/517859211.db2.gz HFEANJVUTDMQBR-UHFFFAOYSA-N 1 3 368.525 2.980 20 0 FFADHO CC[N@H+](CCC1CCN(CC2CCS(=O)(=O)CC2)CC1)CC1CC1 ZINC000538949717 517863244 /nfs/dbraw/zinc/86/32/44/517863244.db2.gz VCVOOQOADOWGBI-UHFFFAOYSA-N 1 3 356.576 2.645 20 0 FFADHO CC[N@@H+](CCC1CCN(CC2CCS(=O)(=O)CC2)CC1)CC1CC1 ZINC000538949717 517863255 /nfs/dbraw/zinc/86/32/55/517863255.db2.gz VCVOOQOADOWGBI-UHFFFAOYSA-N 1 3 356.576 2.645 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000557137797 517875369 /nfs/dbraw/zinc/87/53/69/517875369.db2.gz ODBZESORBDKQDZ-IXDOHACOSA-N 1 3 364.559 2.777 20 0 FFADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000560545173 517884551 /nfs/dbraw/zinc/88/45/51/517884551.db2.gz OBFSPCIRJHOUIZ-ACRUOGEOSA-N 1 3 370.541 2.669 20 0 FFADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000560545173 517884562 /nfs/dbraw/zinc/88/45/62/517884562.db2.gz OBFSPCIRJHOUIZ-ACRUOGEOSA-N 1 3 370.541 2.669 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527860894 517958623 /nfs/dbraw/zinc/95/86/23/517958623.db2.gz YYWIKXZWZSCDFH-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527860894 517958627 /nfs/dbraw/zinc/95/86/27/517958627.db2.gz YYWIKXZWZSCDFH-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H](NCCCN1CCC[N@H+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527860894 517958631 /nfs/dbraw/zinc/95/86/31/517958631.db2.gz YYWIKXZWZSCDFH-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527860894 517958639 /nfs/dbraw/zinc/95/86/39/517958639.db2.gz YYWIKXZWZSCDFH-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO CSC1(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCN(C)CC1 ZINC000517063350 518006492 /nfs/dbraw/zinc/00/64/92/518006492.db2.gz GGRXIMIZZWIBTN-KRWDZBQOSA-N 1 3 370.607 2.624 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)ccc1OC ZINC000527955623 518009644 /nfs/dbraw/zinc/00/96/44/518009644.db2.gz NGYMNIFUKBEMFH-QSFXBCCZSA-N 1 3 350.503 2.728 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)ccc1OC ZINC000527955622 518009664 /nfs/dbraw/zinc/00/96/64/518009664.db2.gz NGYMNIFUKBEMFH-QKYXUNIQSA-N 1 3 350.503 2.728 20 0 FFADHO CN1CC[NH+](CCCCN[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000543404848 518072523 /nfs/dbraw/zinc/07/25/23/518072523.db2.gz OXZHAKOYQAYCTD-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO CCN1CC[NH+](CCCCN[C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000543409589 518075781 /nfs/dbraw/zinc/07/57/81/518075781.db2.gz OCEVANSDJVSLTR-OAQYLSRUSA-N 1 3 371.504 2.712 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCN3C3CCCCC3)C2)CC1 ZINC000528150839 518120904 /nfs/dbraw/zinc/12/09/04/518120904.db2.gz UEEUEUOKSJCSKZ-QUCCMNQESA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000517376652 518132711 /nfs/dbraw/zinc/13/27/11/518132711.db2.gz FFXXRKJWRPJRSB-HBGVWJBISA-N 1 3 369.484 2.895 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000517376652 518132715 /nfs/dbraw/zinc/13/27/15/518132715.db2.gz FFXXRKJWRPJRSB-HBGVWJBISA-N 1 3 369.484 2.895 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000531118643 518144216 /nfs/dbraw/zinc/14/42/16/518144216.db2.gz ZATGJAJTWAXZMN-MRXNPFEDSA-N 1 3 359.436 2.674 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522832084 518168078 /nfs/dbraw/zinc/16/80/78/518168078.db2.gz FYIOWRJQWFBNIN-ZVDOUQERSA-N 1 3 372.557 2.778 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522832084 518168083 /nfs/dbraw/zinc/16/80/83/518168083.db2.gz FYIOWRJQWFBNIN-ZVDOUQERSA-N 1 3 372.557 2.778 20 0 FFADHO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCCN(CC2CCCCC2)CC1 ZINC000575397923 518211430 /nfs/dbraw/zinc/21/14/30/518211430.db2.gz PJSFTVGHBGQDHU-HXUWFJFHSA-N 1 3 373.545 2.536 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000563889857 518216731 /nfs/dbraw/zinc/21/67/31/518216731.db2.gz XTOQVBUXDDVCSB-PZJWPPBQSA-N 1 3 355.526 2.785 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000578504922 518243394 /nfs/dbraw/zinc/24/33/94/518243394.db2.gz ZSFFEKAQPCMRBO-UONOGXRCSA-N 1 3 374.451 2.904 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C1 ZINC000572619963 518280414 /nfs/dbraw/zinc/28/04/14/518280414.db2.gz YOXPTPWGVPDXDY-JSXRDJHFSA-N 1 3 370.541 2.667 20 0 FFADHO O=C([C@H]1CNCc2ccccc21)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000578646813 518310222 /nfs/dbraw/zinc/31/02/22/518310222.db2.gz NBFSQHFRHQBRET-RXVVDRJESA-N 1 3 355.526 2.988 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]Cc2ccncc2OCCN(C)C)CC1 ZINC000564149648 518324146 /nfs/dbraw/zinc/32/41/46/518324146.db2.gz XTBPXPIGUDMZQC-UHFFFAOYSA-N 1 3 363.502 2.624 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567164672 518384201 /nfs/dbraw/zinc/38/42/01/518384201.db2.gz UEIPRYPAZURZBK-VQTJNVASSA-N 1 3 373.516 2.886 20 0 FFADHO CCN(C(=O)NCC1CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000564310239 518392257 /nfs/dbraw/zinc/39/22/57/518392257.db2.gz VEJPDUWHSGZESU-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000578850296 518402647 /nfs/dbraw/zinc/40/26/47/518402647.db2.gz JAWOWMKOBICQIM-WOJBJXKFSA-N 1 3 358.530 2.841 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@]4(C)[C@H](C3)C4(F)F)CC2)CC1 ZINC000584665098 518419857 /nfs/dbraw/zinc/41/98/57/518419857.db2.gz ZWJITDBYMRJKRT-PKOBYXMFSA-N 1 3 369.500 2.686 20 0 FFADHO CN(c1ccccc1C[NH2+]CC[C@H](O)C(F)(F)F)C1CCN(C)CC1 ZINC000584682011 518426892 /nfs/dbraw/zinc/42/68/92/518426892.db2.gz DKBBWQKNCLXYMM-KRWDZBQOSA-N 1 3 359.436 2.620 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cc(C)no3)CC2)CC1 ZINC000570105112 518443051 /nfs/dbraw/zinc/44/30/51/518443051.db2.gz VSKWEFGBLHSNJQ-LJQANCHMSA-N 1 3 374.529 2.843 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000581776795 518449354 /nfs/dbraw/zinc/44/93/54/518449354.db2.gz RHRTVOOFCQAEJQ-IHPCNDPISA-N 1 3 358.530 2.758 20 0 FFADHO CSc1ccc(OC[C@H](O)C[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000573070085 518491297 /nfs/dbraw/zinc/49/12/97/518491297.db2.gz OIEDGOMGIIMSDD-QGZVFWFLSA-N 1 3 352.544 2.860 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000564569293 518507816 /nfs/dbraw/zinc/50/78/16/518507816.db2.gz YBXVFVVKTCVJRS-VQTJNVASSA-N 1 3 361.530 2.719 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000581944498 518515134 /nfs/dbraw/zinc/51/51/34/518515134.db2.gz YAUQFOSAGDSGSI-VXKWHMMOSA-N 1 3 360.542 2.979 20 0 FFADHO Cc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000581997986 518539389 /nfs/dbraw/zinc/53/93/89/518539389.db2.gz NCJGBWHEORIWPR-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000581997986 518539397 /nfs/dbraw/zinc/53/93/97/518539397.db2.gz NCJGBWHEORIWPR-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000581997986 518539404 /nfs/dbraw/zinc/53/94/04/518539404.db2.gz NCJGBWHEORIWPR-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO C[C@H]1C[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[NH2+]1 ZINC000579212024 518576237 /nfs/dbraw/zinc/57/62/37/518576237.db2.gz MHJWUXKXERFOJN-MAUKXSAKSA-N 1 3 362.543 2.540 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000570498936 518635566 /nfs/dbraw/zinc/63/55/66/518635566.db2.gz KDVLLHHKZTWBKR-GUYCJALGSA-N 1 3 352.910 2.725 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000570498936 518635573 /nfs/dbraw/zinc/63/55/73/518635573.db2.gz KDVLLHHKZTWBKR-GUYCJALGSA-N 1 3 352.910 2.725 20 0 FFADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000564847841 518650321 /nfs/dbraw/zinc/65/03/21/518650321.db2.gz HXIBUCULWOQLLA-HXUWFJFHSA-N 1 3 372.509 2.670 20 0 FFADHO N[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000582235401 518653046 /nfs/dbraw/zinc/65/30/46/518653046.db2.gz DUQNMWBZXNHPIA-RTWAWAEBSA-N 1 3 364.493 2.824 20 0 FFADHO [NH3+][C@@H]1C[C@H](NC2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000582235401 518653049 /nfs/dbraw/zinc/65/30/49/518653049.db2.gz DUQNMWBZXNHPIA-RTWAWAEBSA-N 1 3 364.493 2.824 20 0 FFADHO CC(C)OC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000564855681 518656172 /nfs/dbraw/zinc/65/61/72/518656172.db2.gz GMJKSNPEAQZINK-SFHVURJKSA-N 1 3 354.922 2.928 20 0 FFADHO Cc1ccc(C[N@@H+](C)CCCN(C)CCN(C)C)c(-c2cnn(C)c2)c1 ZINC000570551556 518663807 /nfs/dbraw/zinc/66/38/07/518663807.db2.gz HHDUNNOAUFUVSR-UHFFFAOYSA-N 1 3 357.546 2.711 20 0 FFADHO Cc1ccc(C[N@H+](C)CCCN(C)CCN(C)C)c(-c2cnn(C)c2)c1 ZINC000570551556 518663813 /nfs/dbraw/zinc/66/38/13/518663813.db2.gz HHDUNNOAUFUVSR-UHFFFAOYSA-N 1 3 357.546 2.711 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000564922282 518696578 /nfs/dbraw/zinc/69/65/78/518696578.db2.gz PZYZLGQITURUGN-VQIMIIECSA-N 1 3 369.513 2.667 20 0 FFADHO CCCN[C@H](C)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000564936293 518704630 /nfs/dbraw/zinc/70/46/30/518704630.db2.gz ITJVWASHFWDJFM-MRXNPFEDSA-N 1 3 360.502 2.828 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000567785003 518710202 /nfs/dbraw/zinc/71/02/02/518710202.db2.gz NXDQURMLPLZFTP-PZJWPPBQSA-N 1 3 373.541 2.931 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSCC[C@H]3C)CC2)CC1 ZINC000570647377 518710480 /nfs/dbraw/zinc/71/04/80/518710480.db2.gz IMACDOYMHCYWRD-MRXNPFEDSA-N 1 3 353.576 2.537 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1)C1C[NH2+]C1 ZINC000567788322 518711429 /nfs/dbraw/zinc/71/14/29/518711429.db2.gz MKSNXPSZZFUVAA-INIZCTEOSA-N 1 3 351.494 2.887 20 0 FFADHO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564971350 518722383 /nfs/dbraw/zinc/72/23/83/518722383.db2.gz YUUVQFLFCOXBDI-QGZVFWFLSA-N 1 3 368.481 2.669 20 0 FFADHO O=C(CN1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1)Nc1ccccc1 ZINC000582408078 518738823 /nfs/dbraw/zinc/73/88/23/518738823.db2.gz ULNVCCABVADWTG-PWRODBHTSA-N 1 3 370.541 2.600 20 0 FFADHO OC1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000570717757 518747246 /nfs/dbraw/zinc/74/72/46/518747246.db2.gz BQTCHACIZXPQCU-FQEVSTJZSA-N 1 3 357.542 2.620 20 0 FFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000565047874 518760581 /nfs/dbraw/zinc/76/05/81/518760581.db2.gz XOYPYEDZVAEIPV-FSSWDIPSSA-N 1 3 353.510 2.518 20 0 FFADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000565047874 518760589 /nfs/dbraw/zinc/76/05/89/518760589.db2.gz XOYPYEDZVAEIPV-FSSWDIPSSA-N 1 3 353.510 2.518 20 0 FFADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000565047874 518760599 /nfs/dbraw/zinc/76/05/99/518760599.db2.gz XOYPYEDZVAEIPV-FSSWDIPSSA-N 1 3 353.510 2.518 20 0 FFADHO CC[N@H+](CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(C)C ZINC000588280499 518767341 /nfs/dbraw/zinc/76/73/41/518767341.db2.gz OGDGYKCNNSRYLG-UHFFFAOYSA-N 1 3 360.546 2.853 20 0 FFADHO CC[N@@H+](CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(C)C ZINC000588280499 518767344 /nfs/dbraw/zinc/76/73/44/518767344.db2.gz OGDGYKCNNSRYLG-UHFFFAOYSA-N 1 3 360.546 2.853 20 0 FFADHO CC[N@H+](CCNC(=O)NCC1CCN(Cc2cccs2)CC1)C(C)C ZINC000588291756 518770544 /nfs/dbraw/zinc/77/05/44/518770544.db2.gz UTKWCBVSCWENGF-UHFFFAOYSA-N 1 3 366.575 2.990 20 0 FFADHO CC[N@@H+](CCNC(=O)NCC1CCN(Cc2cccs2)CC1)C(C)C ZINC000588291756 518770553 /nfs/dbraw/zinc/77/05/53/518770553.db2.gz UTKWCBVSCWENGF-UHFFFAOYSA-N 1 3 366.575 2.990 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000579690184 518804830 /nfs/dbraw/zinc/80/48/30/518804830.db2.gz GXWPRBSNGFEFTA-MSOLQXFVSA-N 1 3 358.530 2.647 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000579705288 518813036 /nfs/dbraw/zinc/81/30/36/518813036.db2.gz LBZRLODWEGKAAJ-FQEVSTJZSA-N 1 3 374.573 2.729 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000582595724 518829484 /nfs/dbraw/zinc/82/94/84/518829484.db2.gz ODDQBNULTKQKOP-LEWJYISDSA-N 1 3 372.557 2.881 20 0 FFADHO CO[C@@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000576937492 518836224 /nfs/dbraw/zinc/83/62/24/518836224.db2.gz JERSSUIGCXJKGS-DGQTTZFYSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CCN(Cc2cncc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000576937492 518836229 /nfs/dbraw/zinc/83/62/29/518836229.db2.gz JERSSUIGCXJKGS-DGQTTZFYSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CC[N@@H+](Cc2cncc(CN3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000576937492 518836233 /nfs/dbraw/zinc/83/62/33/518836233.db2.gz JERSSUIGCXJKGS-DGQTTZFYSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CC[N@H+](Cc2cncc(CN3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000576937492 518836237 /nfs/dbraw/zinc/83/62/37/518836237.db2.gz JERSSUIGCXJKGS-DGQTTZFYSA-N 1 3 361.530 2.795 20 0 FFADHO CN1C[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000582614981 518839743 /nfs/dbraw/zinc/83/97/43/518839743.db2.gz SPDRBVCVBQXDED-BDTNDASRSA-N 1 3 363.505 2.723 20 0 FFADHO CN1C[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000582614981 518839748 /nfs/dbraw/zinc/83/97/48/518839748.db2.gz SPDRBVCVBQXDED-BDTNDASRSA-N 1 3 363.505 2.723 20 0 FFADHO [NH3+][C@H](CCC(=O)NCC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000570919925 518842865 /nfs/dbraw/zinc/84/28/65/518842865.db2.gz PZLDMFSVTYIRQQ-HXUWFJFHSA-N 1 3 352.482 2.894 20 0 FFADHO Cc1occc1C(=O)NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051605 518849509 /nfs/dbraw/zinc/84/95/09/518849509.db2.gz TVDIJEINVWQCAE-UHFFFAOYSA-N 1 3 353.466 2.628 20 0 FFADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000565227278 518853452 /nfs/dbraw/zinc/85/34/52/518853452.db2.gz UIRWYDSJGCCEKZ-AOIWGVFYSA-N 1 3 359.514 2.998 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000570940964 518854267 /nfs/dbraw/zinc/85/42/67/518854267.db2.gz YHXMSQBUZBLRTB-RDJZCZTQSA-N 1 3 355.320 2.626 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000570940964 518854266 /nfs/dbraw/zinc/85/42/66/518854266.db2.gz YHXMSQBUZBLRTB-RDJZCZTQSA-N 1 3 355.320 2.626 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000577011753 518872874 /nfs/dbraw/zinc/87/28/74/518872874.db2.gz DEQWFFRXCJHSGE-DKIMLUQUSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000577011753 518872879 /nfs/dbraw/zinc/87/28/79/518872879.db2.gz DEQWFFRXCJHSGE-DKIMLUQUSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000577011753 518872885 /nfs/dbraw/zinc/87/28/85/518872885.db2.gz DEQWFFRXCJHSGE-DKIMLUQUSA-N 1 3 372.431 2.908 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cnn(C)c1 ZINC000579861509 518891877 /nfs/dbraw/zinc/89/18/77/518891877.db2.gz VPMBURZDSCWGKI-RXVVDRJESA-N 1 3 368.525 3.000 20 0 FFADHO OC1(C[NH2+]Cc2ccc3c[nH]nc3c2)CCN(Cc2ccccc2)CC1 ZINC000571054074 518905561 /nfs/dbraw/zinc/90/55/61/518905561.db2.gz XHBIGCIUVUAWEN-UHFFFAOYSA-N 1 3 350.466 2.680 20 0 FFADHO CC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@H](CC)O1 ZINC000568293172 518968587 /nfs/dbraw/zinc/96/85/87/518968587.db2.gz HXUUYGMVTUHEIB-PMACEKPBSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000580079479 518997956 /nfs/dbraw/zinc/99/79/56/518997956.db2.gz QXFXDRCYVXRMFO-DYESRHJHSA-N 1 3 369.484 2.991 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(Oc4cnccn4)cc3)CC2)C1 ZINC000580168793 519040753 /nfs/dbraw/zinc/04/07/53/519040753.db2.gz FUQUTPMUCPMZAT-ICSRJNTNSA-N 1 3 368.481 2.987 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000571387749 519072061 /nfs/dbraw/zinc/07/20/61/519072061.db2.gz AAACPCARACVMQW-FBBABVLZSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000580323904 519120168 /nfs/dbraw/zinc/12/01/68/519120168.db2.gz OBHHZOUVYPAYIO-MPGHIAIKSA-N 1 3 350.507 2.502 20 0 FFADHO CN1CC[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000568608509 519125974 /nfs/dbraw/zinc/12/59/74/519125974.db2.gz CCPACQGBFSMXKW-BQJUDKOJSA-N 1 3 364.493 2.568 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000565776238 519128405 /nfs/dbraw/zinc/12/84/05/519128405.db2.gz HAGRDLUUXCRTMY-IBGZPJMESA-N 1 3 358.530 2.925 20 0 FFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000571770784 519268078 /nfs/dbraw/zinc/26/80/78/519268078.db2.gz HOJSUIXRSBMFJL-FUHWJXTLSA-N 1 3 358.511 2.923 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577830162 519276866 /nfs/dbraw/zinc/27/68/66/519276866.db2.gz CMCPZNBDNTYUHT-LJQANCHMSA-N 1 3 366.465 2.565 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577830162 519276874 /nfs/dbraw/zinc/27/68/74/519276874.db2.gz CMCPZNBDNTYUHT-LJQANCHMSA-N 1 3 366.465 2.565 20 0 FFADHO CCN1CC[C@H](C[NH2+]Cc2ccc(I)s2)C1 ZINC000590600573 519284610 /nfs/dbraw/zinc/28/46/10/519284610.db2.gz JDBWRNNJWDQJIS-SNVBAGLBSA-N 1 3 350.269 2.784 20 0 FFADHO CC(C)(CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc2C1 ZINC000577863725 519297370 /nfs/dbraw/zinc/29/73/70/519297370.db2.gz OFZWDCYDNHAJSG-OAQYLSRUSA-N 1 3 363.505 2.827 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107979 519303512 /nfs/dbraw/zinc/30/35/12/519303512.db2.gz SONPHDGMNNTGJO-RBBKRZOGSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107979 519303516 /nfs/dbraw/zinc/30/35/16/519303516.db2.gz SONPHDGMNNTGJO-RBBKRZOGSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107979 519303523 /nfs/dbraw/zinc/30/35/23/519303523.db2.gz SONPHDGMNNTGJO-RBBKRZOGSA-N 1 3 356.485 2.883 20 0 FFADHO C[N@H+](C[C@H](O)CNC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1CC1 ZINC000566118020 519313323 /nfs/dbraw/zinc/31/33/23/519313323.db2.gz RLSYHXNEHLJVDB-VQTJNVASSA-N 1 3 365.949 2.739 20 0 FFADHO C[N@@H+](C[C@H](O)CNC[C@@H]1CCCCN1Cc1cccc(Cl)c1)C1CC1 ZINC000566118020 519313332 /nfs/dbraw/zinc/31/33/32/519313332.db2.gz RLSYHXNEHLJVDB-VQTJNVASSA-N 1 3 365.949 2.739 20 0 FFADHO CC[C@@H](N)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000566194243 519361454 /nfs/dbraw/zinc/36/14/54/519361454.db2.gz YJVHSXRUEKARRA-MRXNPFEDSA-N 1 3 357.420 2.866 20 0 FFADHO CC[C@@H](N)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000566194243 519361464 /nfs/dbraw/zinc/36/14/64/519361464.db2.gz YJVHSXRUEKARRA-MRXNPFEDSA-N 1 3 357.420 2.866 20 0 FFADHO NC(=O)c1ccc(-c2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000566302748 519423286 /nfs/dbraw/zinc/42/32/86/519423286.db2.gz SFPLOCQMBFDKNY-IAGOWNOFSA-N 1 3 370.522 2.731 20 0 FFADHO C[C@H]1CC2(CN1Cc1csc(-c3ccc(C(N)=O)cc3)n1)CC[NH2+]CC2 ZINC000578135209 519436654 /nfs/dbraw/zinc/43/66/54/519436654.db2.gz VWWPMKLLLPLOFA-AWEZNQCLSA-N 1 3 370.522 2.873 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000583800937 519441031 /nfs/dbraw/zinc/44/10/31/519441031.db2.gz XEDWRLLRGAFYQD-GOSISDBHSA-N 1 3 360.502 2.801 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000583800937 519441037 /nfs/dbraw/zinc/44/10/37/519441037.db2.gz XEDWRLLRGAFYQD-GOSISDBHSA-N 1 3 360.502 2.801 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3ccc(C[NH2+]C)cc3)cc2)CC1 ZINC000574992394 519441384 /nfs/dbraw/zinc/44/13/84/519441384.db2.gz HYCBXZDJRQYCTI-UHFFFAOYSA-N 1 3 352.482 2.800 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CNCc2ccccc21 ZINC000578190139 519465555 /nfs/dbraw/zinc/46/55/55/519465555.db2.gz WQUWIPZYKJRVOM-UZLBHIALSA-N 1 3 369.534 2.963 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CNCc2ccccc21 ZINC000578190139 519465561 /nfs/dbraw/zinc/46/55/61/519465561.db2.gz WQUWIPZYKJRVOM-UZLBHIALSA-N 1 3 369.534 2.963 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000583866911 519473876 /nfs/dbraw/zinc/47/38/76/519473876.db2.gz LOUAIFMCZUNCJY-IBGZPJMESA-N 1 3 354.922 2.928 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000581061463 519504710 /nfs/dbraw/zinc/50/47/10/519504710.db2.gz HCRNKVVAXAFVDI-YOEHRIQHSA-N 1 3 366.456 2.508 20 0 FFADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000569360792 519510839 /nfs/dbraw/zinc/51/08/39/519510839.db2.gz RHAPZZYNYARWRN-VQTJNVASSA-N 1 3 355.526 2.888 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578425132 519584491 /nfs/dbraw/zinc/58/44/91/519584491.db2.gz LFWHFKVZRKTQRE-VQIMIIECSA-N 1 3 362.543 2.670 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)CC3CCCCC3)nc2)CC1 ZINC000584111433 519596328 /nfs/dbraw/zinc/59/63/28/519596328.db2.gz DIBVZVWQCYLETG-IBGZPJMESA-N 1 3 373.545 2.848 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](N)CC3CCCCC3)nc2)CC1 ZINC000584111434 519596599 /nfs/dbraw/zinc/59/65/99/519596599.db2.gz DIBVZVWQCYLETG-LJQANCHMSA-N 1 3 373.545 2.848 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2COc3c2cccc3Cl)CC[NH2+]CC1 ZINC000591568340 519953931 /nfs/dbraw/zinc/95/39/31/519953931.db2.gz RSERTHWXEBGRDN-WFASDCNBSA-N 1 3 352.862 2.685 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000597444708 520032664 /nfs/dbraw/zinc/03/26/64/520032664.db2.gz QNQVUZULBMPGPE-PMACEKPBSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000597444708 520032674 /nfs/dbraw/zinc/03/26/74/520032674.db2.gz QNQVUZULBMPGPE-PMACEKPBSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612962843 520242552 /nfs/dbraw/zinc/24/25/52/520242552.db2.gz FLPLMVYKXXEADK-LJQANCHMSA-N 1 3 356.514 2.614 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000612973818 520249748 /nfs/dbraw/zinc/24/97/48/520249748.db2.gz MMSFUMSTOHSWHT-RLLQIKCJSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000612973817 520250700 /nfs/dbraw/zinc/25/07/00/520250700.db2.gz MMSFUMSTOHSWHT-MISYRCLQSA-N 1 3 370.541 2.823 20 0 FFADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000595025783 520259800 /nfs/dbraw/zinc/25/98/00/520259800.db2.gz NGTASSMYQMFDDC-GOSISDBHSA-N 1 3 367.578 2.894 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C[C@@H]1C ZINC000595074104 520281801 /nfs/dbraw/zinc/28/18/01/520281801.db2.gz VMWHBKPCDXRBKX-LRGNLBRXSA-N 1 3 374.525 2.711 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000604117404 520456025 /nfs/dbraw/zinc/45/60/25/520456025.db2.gz XJYNHZRLQSIOAP-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000617505647 520541615 /nfs/dbraw/zinc/54/16/15/520541615.db2.gz LOJKMULGVRUVLD-UCNVEGJOSA-N 1 3 357.542 2.669 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000617505647 520541619 /nfs/dbraw/zinc/54/16/19/520541619.db2.gz LOJKMULGVRUVLD-UCNVEGJOSA-N 1 3 357.542 2.669 20 0 FFADHO Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504983 520543042 /nfs/dbraw/zinc/54/30/42/520543042.db2.gz SDDRGZKJWCIQCL-ZDUSSCGKSA-N 1 3 354.564 2.751 20 0 FFADHO Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504983 520543049 /nfs/dbraw/zinc/54/30/49/520543049.db2.gz SDDRGZKJWCIQCL-ZDUSSCGKSA-N 1 3 354.564 2.751 20 0 FFADHO CCc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507096 520544372 /nfs/dbraw/zinc/54/43/72/520544372.db2.gz HUVSWQZVTIIFPX-INIZCTEOSA-N 1 3 372.513 2.906 20 0 FFADHO CCc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507096 520544378 /nfs/dbraw/zinc/54/43/78/520544378.db2.gz HUVSWQZVTIIFPX-INIZCTEOSA-N 1 3 372.513 2.906 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000617506813 520546067 /nfs/dbraw/zinc/54/60/67/520546067.db2.gz ZYVQIEUWVKXEJW-HOTGVXAUSA-N 1 3 353.938 2.907 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000617506813 520546073 /nfs/dbraw/zinc/54/60/73/520546073.db2.gz ZYVQIEUWVKXEJW-HOTGVXAUSA-N 1 3 353.938 2.907 20 0 FFADHO C[N@H+](CCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCCCC1 ZINC000617703244 520665745 /nfs/dbraw/zinc/66/57/45/520665745.db2.gz FDVMLGBCTHWEGA-OAQYLSRUSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@@H+](CCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCCCC1 ZINC000617703244 520665752 /nfs/dbraw/zinc/66/57/52/520665752.db2.gz FDVMLGBCTHWEGA-OAQYLSRUSA-N 1 3 373.541 2.524 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000601341134 520749029 /nfs/dbraw/zinc/74/90/29/520749029.db2.gz CKSBXNNMPMCZNX-FUHWJXTLSA-N 1 3 350.551 2.671 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000601341134 520749034 /nfs/dbraw/zinc/74/90/34/520749034.db2.gz CKSBXNNMPMCZNX-FUHWJXTLSA-N 1 3 350.551 2.671 20 0 FFADHO CCN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCN(CC)C1 ZINC000617924442 520784268 /nfs/dbraw/zinc/78/42/68/520784268.db2.gz VDFBLBFMKONGQV-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO CCN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCN(CC)C1 ZINC000617924442 520784272 /nfs/dbraw/zinc/78/42/72/520784272.db2.gz VDFBLBFMKONGQV-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000614227780 520859880 /nfs/dbraw/zinc/85/98/80/520859880.db2.gz FEILLAPEJIJCBT-GOSISDBHSA-N 1 3 359.489 2.782 20 0 FFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000605427186 520873140 /nfs/dbraw/zinc/87/31/40/520873140.db2.gz AUKLWARWPIFUEX-UHFFFAOYSA-N 1 3 365.562 2.744 20 0 FFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000605427186 520873146 /nfs/dbraw/zinc/87/31/46/520873146.db2.gz AUKLWARWPIFUEX-UHFFFAOYSA-N 1 3 365.562 2.744 20 0 FFADHO CCOC(=O)CCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000611181112 521027602 /nfs/dbraw/zinc/02/76/02/521027602.db2.gz ITCQVPIOEUGENQ-UHFFFAOYSA-N 1 3 353.551 2.600 20 0 FFADHO COC(=O)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)n1C ZINC000602008108 521074462 /nfs/dbraw/zinc/07/44/62/521074462.db2.gz PSIGROCHBSQCEY-UHFFFAOYSA-N 1 3 371.481 2.576 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606651584 521124898 /nfs/dbraw/zinc/12/48/98/521124898.db2.gz KHLANAHTYVJISF-ABSDTBQOSA-N 1 3 358.530 2.851 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000618659390 521170635 /nfs/dbraw/zinc/17/06/35/521170635.db2.gz HVHBRNHDKPYKQE-VQTJNVASSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000618659390 521170637 /nfs/dbraw/zinc/17/06/37/521170637.db2.gz HVHBRNHDKPYKQE-VQTJNVASSA-N 1 3 370.541 2.817 20 0 FFADHO CSCC[C@@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593917721 521290547 /nfs/dbraw/zinc/29/05/47/521290547.db2.gz ILEZIYADKXEFCO-MRXNPFEDSA-N 1 3 353.557 2.893 20 0 FFADHO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607237709 521302563 /nfs/dbraw/zinc/30/25/63/521302563.db2.gz ZVACKFOYMPRBLA-SFHVURJKSA-N 1 3 362.562 2.878 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615510649 521424635 /nfs/dbraw/zinc/42/46/35/521424635.db2.gz QPOWUXMEGWWAFP-QGZVFWFLSA-N 1 3 359.514 2.573 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000612104340 521483155 /nfs/dbraw/zinc/48/31/55/521483155.db2.gz HUTHASRSPUXEFU-RLLQIKCJSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000612104340 521483167 /nfs/dbraw/zinc/48/31/67/521483167.db2.gz HUTHASRSPUXEFU-RLLQIKCJSA-N 1 3 355.526 2.683 20 0 FFADHO COc1ccccc1NC(=O)C[C@H](C)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635004330 521861252 /nfs/dbraw/zinc/86/12/52/521861252.db2.gz HZXNAMTWKVNLKJ-FUHWJXTLSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635004330 521861259 /nfs/dbraw/zinc/86/12/59/521861259.db2.gz HZXNAMTWKVNLKJ-FUHWJXTLSA-N 1 3 355.482 2.962 20 0 FFADHO Cc1cccc(NC(=O)C[C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1C ZINC000635009002 521865058 /nfs/dbraw/zinc/86/50/58/521865058.db2.gz LOYJCAPYUFEJHH-MRXNPFEDSA-N 1 3 367.497 2.937 20 0 FFADHO CCN1CCN(Cc2ccc(CN[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623360049 521962413 /nfs/dbraw/zinc/96/24/13/521962413.db2.gz RRTXFIGSWQHFGU-NRFANRHFSA-N 1 3 358.574 2.787 20 0 FFADHO CCN1CCN(Cc2ccc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623360049 521962414 /nfs/dbraw/zinc/96/24/14/521962414.db2.gz RRTXFIGSWQHFGU-NRFANRHFSA-N 1 3 358.574 2.787 20 0 FFADHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1Cl ZINC000623386905 521981866 /nfs/dbraw/zinc/98/18/66/521981866.db2.gz IXDIHKIHVCMWBV-UHFFFAOYSA-N 1 3 351.922 2.997 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623402623 521994896 /nfs/dbraw/zinc/99/48/96/521994896.db2.gz RCHNFDGTQNAUHG-CQSZACIVSA-N 1 3 369.351 2.516 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000623466508 522046784 /nfs/dbraw/zinc/04/67/84/522046784.db2.gz BJMPWYYZURYQQO-HKUYNNGSSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000623466508 522046797 /nfs/dbraw/zinc/04/67/97/522046797.db2.gz BJMPWYYZURYQQO-HKUYNNGSSA-N 1 3 350.551 2.815 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000629417352 522203356 /nfs/dbraw/zinc/20/33/56/522203356.db2.gz HEGBPSGMWRYDJA-UHFFFAOYSA-N 1 3 365.562 2.602 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000623726828 522244807 /nfs/dbraw/zinc/24/48/07/522244807.db2.gz CDCCMEINHUOILV-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO Cc1ccc2ncc(CN3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc2c1 ZINC000629517023 522294741 /nfs/dbraw/zinc/29/47/41/522294741.db2.gz YDYJXMUBOKASCS-UTKZUKDTSA-N 1 3 366.509 2.623 20 0 FFADHO Cc1ccc2ncc(CN3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000629517022 522295180 /nfs/dbraw/zinc/29/51/80/522295180.db2.gz YDYJXMUBOKASCS-LAUBAEHRSA-N 1 3 366.509 2.623 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000623837295 522317238 /nfs/dbraw/zinc/31/72/38/522317238.db2.gz VIHJEMZCAKDXHC-QUCCMNQESA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000623837295 522317251 /nfs/dbraw/zinc/31/72/51/522317251.db2.gz VIHJEMZCAKDXHC-QUCCMNQESA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843769 522323745 /nfs/dbraw/zinc/32/37/45/522323745.db2.gz WHDMKRYOTANOPG-MJGOQNOKSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843769 522323752 /nfs/dbraw/zinc/32/37/52/522323752.db2.gz WHDMKRYOTANOPG-MJGOQNOKSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000623878226 522341234 /nfs/dbraw/zinc/34/12/34/522341234.db2.gz BWPPWEZHNPEATL-XSDIEEQYSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000623878226 522341236 /nfs/dbraw/zinc/34/12/36/522341236.db2.gz BWPPWEZHNPEATL-XSDIEEQYSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(-c2ccccc2)n(C)n1 ZINC000623891430 522349635 /nfs/dbraw/zinc/34/96/35/522349635.db2.gz MGIHKDCNEMALSI-PKOBYXMFSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(-c2ccccc2)n(C)n1 ZINC000623891430 522349647 /nfs/dbraw/zinc/34/96/47/522349647.db2.gz MGIHKDCNEMALSI-PKOBYXMFSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000623897922 522354582 /nfs/dbraw/zinc/35/45/82/522354582.db2.gz VLVHPSHHQDFKIU-NSHDSACASA-N 1 3 365.827 2.731 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000632899097 522372962 /nfs/dbraw/zinc/37/29/62/522372962.db2.gz YDWAGYSDIWEFON-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO C[NH2+]CCOCCN(C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000629655495 522375763 /nfs/dbraw/zinc/37/57/63/522375763.db2.gz YELAKIXMDBPVIV-UHFFFAOYSA-N 1 3 357.502 2.728 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000620812403 522464328 /nfs/dbraw/zinc/46/43/28/522464328.db2.gz DNQORMKWGJLLJM-RTWAWAEBSA-N 1 3 372.557 2.930 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000620812403 522464338 /nfs/dbraw/zinc/46/43/38/522464338.db2.gz DNQORMKWGJLLJM-RTWAWAEBSA-N 1 3 372.557 2.930 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(OC)c1 ZINC000626927428 522534675 /nfs/dbraw/zinc/53/46/75/522534675.db2.gz ZQVVXKTXFILDMC-SZVBFZGTSA-N 1 3 362.518 2.518 20 0 FFADHO CCC1(N2CCOCC2)CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000624256095 522569684 /nfs/dbraw/zinc/56/96/84/522569684.db2.gz AQMNOPAOHFCSSL-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO CCC1(N2CCOCC2)CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000624256095 522569689 /nfs/dbraw/zinc/56/96/89/522569689.db2.gz AQMNOPAOHFCSSL-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO CCC1(N2CCOCC2)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000624256095 522569698 /nfs/dbraw/zinc/56/96/98/522569698.db2.gz AQMNOPAOHFCSSL-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N(C)C ZINC000627033394 522606351 /nfs/dbraw/zinc/60/63/51/522606351.db2.gz IJUPKRXWBLVTFE-DWIQEWEKSA-N 1 3 358.530 2.627 20 0 FFADHO COc1ccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000621641118 522990919 /nfs/dbraw/zinc/99/09/19/522990919.db2.gz ADOPHJCZVUOJNB-XLIONFOSSA-N 1 3 359.514 2.728 20 0 FFADHO CN1CCC(n2cc(NC(=O)NCCC[NH+]3CCCCCC3)cn2)CC1 ZINC000636473529 523004823 /nfs/dbraw/zinc/00/48/23/523004823.db2.gz BXYQMLCWCAQYSL-UHFFFAOYSA-N 1 3 362.522 2.537 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NC1CC([NH+](C)C)C1 ZINC000622010187 523214230 /nfs/dbraw/zinc/21/42/30/523214230.db2.gz YFZLFVPVDAQSKM-WWDZGPRUSA-N 1 3 359.514 2.762 20 0 FFADHO O=C(NC[C@H]1CCCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000637015461 523366312 /nfs/dbraw/zinc/36/63/12/523366312.db2.gz QXGIGGMIKRPMAN-IFMALSPDSA-N 1 3 370.541 2.826 20 0 FFADHO NC[C@@]1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCCOC1 ZINC000634554388 523497798 /nfs/dbraw/zinc/49/77/98/523497798.db2.gz YEYGBCILJQFEQO-FQEVSTJZSA-N 1 3 356.470 2.729 20 0 FFADHO O[C@]1(CN[C@H](c2ccccc2)[C@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708928 523597384 /nfs/dbraw/zinc/59/73/84/523597384.db2.gz BFEIPSXOWLDWCD-ZRBLBEILSA-N 1 3 366.505 2.991 20 0 FFADHO O[C@]1(CN[C@H](c2ccccc2)[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708928 523597393 /nfs/dbraw/zinc/59/73/93/523597393.db2.gz BFEIPSXOWLDWCD-ZRBLBEILSA-N 1 3 366.505 2.991 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000623071325 523657242 /nfs/dbraw/zinc/65/72/42/523657242.db2.gz FVBMJVCDQNKPIZ-QXAKKESOSA-N 1 3 360.502 2.641 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000637524741 523681198 /nfs/dbraw/zinc/68/11/98/523681198.db2.gz BFHODGGTDQQXOL-HXUWFJFHSA-N 1 3 367.497 2.737 20 0 FFADHO OC1(CCNC2CC[NH+](CC3CC3)CC2)CCN(c2ccccc2)CC1 ZINC000631703373 523760117 /nfs/dbraw/zinc/76/01/17/523760117.db2.gz YDFXTZJXHFBXAL-UHFFFAOYSA-N 1 3 357.542 2.872 20 0 FFADHO Cc1cc(NC(=O)CCN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471857231 561013124 /nfs/dbraw/zinc/01/31/24/561013124.db2.gz OERWWELBHGBZCO-RTBURBONSA-N 1 3 370.497 2.984 20 0 FFADHO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)no1 ZINC000471857231 561013125 /nfs/dbraw/zinc/01/31/25/561013125.db2.gz OERWWELBHGBZCO-RTBURBONSA-N 1 3 370.497 2.984 20 0 FFADHO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)no1 ZINC000471857231 561013126 /nfs/dbraw/zinc/01/31/26/561013126.db2.gz OERWWELBHGBZCO-RTBURBONSA-N 1 3 370.497 2.984 20 0 FFADHO CN(C)c1cc[nH+]c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164907690 721532218 /nfs/dbraw/zinc/53/22/18/721532218.db2.gz NYBXQUWLZPRZTP-MJGOQNOKSA-N 1 3 356.445 2.629 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CN1CC[NH+](C)CC1 ZINC000185344471 729347232 /nfs/dbraw/zinc/34/72/32/729347232.db2.gz COAIRKADYWUOEN-KGLIPLIRSA-N 1 3 370.335 2.689 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c2cccs2)CC1 ZINC000333886345 729812136 /nfs/dbraw/zinc/81/21/36/729812136.db2.gz FWWJCEKCGWTYEB-BRWVUGGUSA-N 1 3 364.559 2.900 20 0 FFADHO COc1ccc([C@@H](OC)[C@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638855067 730048873 /nfs/dbraw/zinc/04/88/73/730048873.db2.gz TWDCGGNHESJOKO-KXBFYZLASA-N 1 3 350.503 2.596 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)[C@H]1CC[N@H+](C)C1 ZINC000645499841 730563940 /nfs/dbraw/zinc/56/39/40/730563940.db2.gz DWZJMLILWDHIFS-IKGGRYGDSA-N 1 3 350.507 2.835 20 0 FFADHO CCCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)[C@H]1CC[N@@H+](C)C1 ZINC000645499841 730563941 /nfs/dbraw/zinc/56/39/41/730563941.db2.gz DWZJMLILWDHIFS-IKGGRYGDSA-N 1 3 350.507 2.835 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000862268661 730683860 /nfs/dbraw/zinc/68/38/60/730683860.db2.gz MXIRPBOOVXTORT-HIFRSBDPSA-N 1 3 359.461 2.705 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000862273501 730684468 /nfs/dbraw/zinc/68/44/68/730684468.db2.gz IJIDOGQORXZFOK-RBSFLKMASA-N 1 3 359.461 2.848 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000862273501 730684471 /nfs/dbraw/zinc/68/44/71/730684471.db2.gz IJIDOGQORXZFOK-RBSFLKMASA-N 1 3 359.461 2.848 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000647937287 730775938 /nfs/dbraw/zinc/77/59/38/730775938.db2.gz VDEHFUMERPCQBJ-DOMZBBRYSA-N 1 3 354.292 2.837 20 0 FFADHO CCN1CC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417205 730952022 /nfs/dbraw/zinc/95/20/22/730952022.db2.gz BVSGVTKIQXGFJN-QWHCGFSZSA-N 1 3 353.429 2.764 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417205 730952023 /nfs/dbraw/zinc/95/20/23/730952023.db2.gz BVSGVTKIQXGFJN-QWHCGFSZSA-N 1 3 353.429 2.764 20 0 FFADHO CC[N@H+]1CC[C@@H](CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417205 730952025 /nfs/dbraw/zinc/95/20/25/730952025.db2.gz BVSGVTKIQXGFJN-QWHCGFSZSA-N 1 3 353.429 2.764 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](CNC1CC[NH+](CC2CC2)CC1)CC(F)F ZINC000865418886 730952533 /nfs/dbraw/zinc/95/25/33/730952533.db2.gz MMWPIXKWRVJONR-OAHLLOKOSA-N 1 3 361.477 2.999 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000650707333 731021858 /nfs/dbraw/zinc/02/18/58/731021858.db2.gz CWXJJOASPFDRNK-ZMSDIMECSA-N 1 3 360.527 2.992 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2c(ccnc2Cl)o1 ZINC000866259727 731044420 /nfs/dbraw/zinc/04/44/20/731044420.db2.gz FTRWQOPLFRKCSO-QWHCGFSZSA-N 1 3 364.877 2.719 20 0 FFADHO CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000653600916 731277248 /nfs/dbraw/zinc/27/72/48/731277248.db2.gz YLSGLYQBSDYCJD-RDJZCZTQSA-N 1 3 350.503 2.980 20 0 FFADHO C[C@H]1C[C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccsc2S1 ZINC000925856012 738537822 /nfs/dbraw/zinc/53/78/22/738537822.db2.gz WCMFFUXPVFOITR-SCRDCRAPSA-N 1 3 352.525 2.948 20 0 FFADHO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000925996747 738555209 /nfs/dbraw/zinc/55/52/09/738555209.db2.gz DKYRWFMRYGGMSM-DLBZAZTESA-N 1 3 362.543 2.527 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCCC2)N(C)C)cc1 ZINC000659497316 731982609 /nfs/dbraw/zinc/98/26/09/731982609.db2.gz GURSCYSNVFIXFT-MRXNPFEDSA-N 1 3 350.532 2.582 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876766717 732278859 /nfs/dbraw/zinc/27/88/59/732278859.db2.gz QQFDNDMNMZFVAT-MRXNPFEDSA-N 1 3 364.559 2.913 20 0 FFADHO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000876879628 732290948 /nfs/dbraw/zinc/29/09/48/732290948.db2.gz LUVFXTRCJQLJCF-SJLPKXTDSA-N 1 3 367.896 2.712 20 0 FFADHO CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663450438 732443683 /nfs/dbraw/zinc/44/36/83/732443683.db2.gz JEBVRRQQMXTMNX-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663450438 732443687 /nfs/dbraw/zinc/44/36/87/732443687.db2.gz JEBVRRQQMXTMNX-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000663450875 732443843 /nfs/dbraw/zinc/44/38/43/732443843.db2.gz MYJNCZRAHOIFGB-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000663450875 732443847 /nfs/dbraw/zinc/44/38/47/732443847.db2.gz MYJNCZRAHOIFGB-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000663538291 732456618 /nfs/dbraw/zinc/45/66/18/732456618.db2.gz KVDVHACKSZBYJO-WMLDXEAASA-N 1 3 352.548 2.770 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000663538291 732456621 /nfs/dbraw/zinc/45/66/21/732456621.db2.gz KVDVHACKSZBYJO-WMLDXEAASA-N 1 3 352.548 2.770 20 0 FFADHO C[NH+]1CCC(CNc2cc(Br)cnn2)(N2CCCCC2)CC1 ZINC000663667710 732472906 /nfs/dbraw/zinc/47/29/06/732472906.db2.gz HXAJSFUVJPHMAT-UHFFFAOYSA-N 1 3 368.323 2.601 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[C@@H]1[NH3+] ZINC000668661155 733150786 /nfs/dbraw/zinc/15/07/86/733150786.db2.gz QVRYLGYXMIKNIA-OWCLPIDISA-N 1 3 350.532 2.654 20 0 FFADHO CCc1ccc([C@@H](CNC(=S)NC[C@@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000884342787 733514404 /nfs/dbraw/zinc/51/44/04/733514404.db2.gz KMFJBUZAXXKUMZ-RBUKOAKNSA-N 1 3 362.587 2.800 20 0 FFADHO CCc1ccc([C@@H](CNC(=S)NC[C@@H]2CCC[N@@H+]2CC)N(C)C)cc1 ZINC000884342787 733514405 /nfs/dbraw/zinc/51/44/05/733514405.db2.gz KMFJBUZAXXKUMZ-RBUKOAKNSA-N 1 3 362.587 2.800 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000672943113 733572480 /nfs/dbraw/zinc/57/24/80/733572480.db2.gz UWBJQTBJQPBETB-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(F)c1OC ZINC000885992377 733738953 /nfs/dbraw/zinc/73/89/53/733738953.db2.gz GLBKKJWFHDTPEP-GASCZTMLSA-N 1 3 354.466 2.822 20 0 FFADHO CN1C(=O)C[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000886374436 733778571 /nfs/dbraw/zinc/77/85/71/733778571.db2.gz BNGWIZGFDUVXBP-RPVQJOFSSA-N 1 3 351.441 2.699 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000888018969 734005756 /nfs/dbraw/zinc/00/57/56/734005756.db2.gz HLGCQPUAINSTHT-HNNXBMFYSA-N 1 3 361.452 2.594 20 0 FFADHO COc1ncc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000717906091 734375438 /nfs/dbraw/zinc/37/54/38/734375438.db2.gz JQEWZVIDWRDSRG-UHFFFAOYSA-N 1 3 361.511 2.659 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000891542649 734443469 /nfs/dbraw/zinc/44/34/69/734443469.db2.gz MEAOJQZIUXBUMO-BRWVUGGUSA-N 1 3 362.543 2.763 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000891542649 734443471 /nfs/dbraw/zinc/44/34/71/734443471.db2.gz MEAOJQZIUXBUMO-BRWVUGGUSA-N 1 3 362.543 2.763 20 0 FFADHO CN(C)C[C@H](NC(=O)N1C2CCC1(C[NH3+])CC2)c1ccc(Cl)cc1 ZINC000892462847 734562081 /nfs/dbraw/zinc/56/20/81/734562081.db2.gz WEDWPHFCHGKOHN-PQUAAJSLSA-N 1 3 350.894 2.608 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000741804916 735163265 /nfs/dbraw/zinc/16/32/65/735163265.db2.gz CTOJDXBSRIRKJK-AWEZNQCLSA-N 1 3 364.361 2.596 20 0 FFADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccc(NS(=O)(=O)C3CC3)c2)C1 ZINC000902513685 735954403 /nfs/dbraw/zinc/95/44/03/735954403.db2.gz GYMFFKXFCNYMNT-GDBMZVCRSA-N 1 3 351.516 2.586 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000904494474 736255616 /nfs/dbraw/zinc/25/56/16/736255616.db2.gz MEKBDGQPOLFJOY-MQMHXKEQSA-N 1 3 366.893 2.672 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCC2)[C@H]1c1cccs1 ZINC000905135901 736301140 /nfs/dbraw/zinc/30/11/40/736301140.db2.gz XHKDGGSJWZUXSC-RYRKJORJSA-N 1 3 352.544 2.777 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCCC2)[C@H]1c1cccs1 ZINC000905135901 736301143 /nfs/dbraw/zinc/30/11/43/736301143.db2.gz XHKDGGSJWZUXSC-RYRKJORJSA-N 1 3 352.544 2.777 20 0 FFADHO Cn1nc(Br)cc1CNCc1ccc(F)c(C[NH+](C)C)c1 ZINC000785468361 738966462 /nfs/dbraw/zinc/96/64/62/738966462.db2.gz HYJPHWQYPXPUIX-UHFFFAOYSA-N 1 3 355.255 2.673 20 0 FFADHO CN(C)Cc1cc(C[NH2+]Cc2cc(Br)nn2C)ccc1F ZINC000785468361 738966465 /nfs/dbraw/zinc/96/64/65/738966465.db2.gz HYJPHWQYPXPUIX-UHFFFAOYSA-N 1 3 355.255 2.673 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)[NH+]1CCCCC1 ZINC000918119836 737793871 /nfs/dbraw/zinc/79/38/71/737793871.db2.gz NBPOPDAPAZFBNX-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(F)c3)C2)[C@@H]1C(C)C ZINC000922393987 738136837 /nfs/dbraw/zinc/13/68/37/738136837.db2.gz MMSQHZAWEBSERY-CBZIJGRNSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(Cl)c(F)c3)C2)[C@@H]1C(C)C ZINC000922393987 738136838 /nfs/dbraw/zinc/13/68/38/738136838.db2.gz MMSQHZAWEBSERY-CBZIJGRNSA-N 1 3 355.885 2.834 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000776169937 738167532 /nfs/dbraw/zinc/16/75/32/738167532.db2.gz FZNYJIFIQYQRTR-FHWLQOOXSA-N 1 3 354.535 2.789 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000776169937 738167534 /nfs/dbraw/zinc/16/75/34/738167534.db2.gz FZNYJIFIQYQRTR-FHWLQOOXSA-N 1 3 354.535 2.789 20 0 FFADHO [NH3+]C[C@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000923374769 738276798 /nfs/dbraw/zinc/27/67/98/738276798.db2.gz VRJIJAJRGHNUJK-ZBFHGGJFSA-N 1 3 360.420 2.942 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@@H](O)c1ccc(Cl)cc1Cl)CC2 ZINC000923446119 738284773 /nfs/dbraw/zinc/28/47/73/738284773.db2.gz ZYRTYLWEIUBSGW-CZUORRHYSA-N 1 3 359.297 2.857 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000931432632 739263451 /nfs/dbraw/zinc/26/34/51/739263451.db2.gz XTWMBMUGHNBZJG-IPYPFGDCSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000931432632 739263458 /nfs/dbraw/zinc/26/34/58/739263458.db2.gz XTWMBMUGHNBZJG-IPYPFGDCSA-N 1 3 359.297 2.617 20 0 FFADHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000931484937 739273576 /nfs/dbraw/zinc/27/35/76/739273576.db2.gz RDQIKXMNNBDZCZ-UHFFFAOYSA-N 1 3 374.312 2.711 20 0 FFADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000799178185 740397211 /nfs/dbraw/zinc/39/72/11/740397211.db2.gz PBLPUKKFDXSPEO-OAHLLOKOSA-N 1 3 361.452 2.595 20 0 FFADHO CC(C)N1CC[NH+](CCCN(C)CC(=O)Nc2ccccc2Cl)CC1 ZINC000800329368 740513435 /nfs/dbraw/zinc/51/34/35/740513435.db2.gz JQNGEAXGQFHPLE-UHFFFAOYSA-N 1 3 366.937 2.626 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc([Si](C)(C)C)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000801935310 740665447 /nfs/dbraw/zinc/66/54/47/740665447.db2.gz CERKEKNPMOWBIU-WIYYLYMNSA-N 1 3 359.634 2.690 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc([Si](C)(C)C)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000801935310 740665449 /nfs/dbraw/zinc/66/54/49/740665449.db2.gz CERKEKNPMOWBIU-WIYYLYMNSA-N 1 3 359.634 2.690 20 0 FFADHO C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000810670744 741439145 /nfs/dbraw/zinc/43/91/45/741439145.db2.gz KISKZNZOUCXKIJ-FTRWYGJKSA-N 1 3 353.526 2.968 20 0 FFADHO C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000810670744 741439146 /nfs/dbraw/zinc/43/91/46/741439146.db2.gz KISKZNZOUCXKIJ-FTRWYGJKSA-N 1 3 353.526 2.968 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3scnc3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995840220 741963065 /nfs/dbraw/zinc/96/30/65/741963065.db2.gz MSZGGGPSLMIXCZ-ZMSDIMECSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3scnc3C)C(C)(C)C2)CC[N@H+]1C ZINC000995840220 741963067 /nfs/dbraw/zinc/96/30/67/741963067.db2.gz MSZGGGPSLMIXCZ-ZMSDIMECSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3ncc(C)s3)CC2)CC[N@@H+]1C ZINC000997792410 742025262 /nfs/dbraw/zinc/02/52/62/742025262.db2.gz GJNKVYAXTJDGEU-DLBZAZTESA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3ncc(C)s3)CC2)CC[N@H+]1C ZINC000997792410 742025265 /nfs/dbraw/zinc/02/52/65/742025265.db2.gz GJNKVYAXTJDGEU-DLBZAZTESA-N 1 3 364.559 2.510 20 0 FFADHO O[C@@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000817929413 742222761 /nfs/dbraw/zinc/22/27/61/742222761.db2.gz HFICEVHRTZKRIC-NXOAAHMSSA-N 1 3 353.304 2.993 20 0 FFADHO O[C@@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000817929412 742222871 /nfs/dbraw/zinc/22/28/71/742222871.db2.gz HFICEVHRTZKRIC-HZMVEIRTSA-N 1 3 353.304 2.993 20 0 FFADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccc(Cl)c(F)c2)ccn1 ZINC000819195819 742351730 /nfs/dbraw/zinc/35/17/30/742351730.db2.gz KOGKJTFBMZZPJM-KRWDZBQOSA-N 1 3 367.852 2.638 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC001020170967 742535896 /nfs/dbraw/zinc/53/58/96/742535896.db2.gz GUQZKCVZJALZAS-RAEVTNRLSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC001020170967 742535899 /nfs/dbraw/zinc/53/58/99/742535899.db2.gz GUQZKCVZJALZAS-RAEVTNRLSA-N 1 3 353.869 2.556 20 0 FFADHO Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc3c(c2)CNCCO3)cc(Cl)n1 ZINC000841852261 747476409 /nfs/dbraw/zinc/47/64/09/747476409.db2.gz INEGRUYIFFWFOG-OAHLLOKOSA-N 1 3 360.845 2.554 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H](SC)C3)CC2)CC1 ZINC000847528294 748719922 /nfs/dbraw/zinc/71/99/22/748719922.db2.gz FRIFWUINYUAVRK-AEFFLSMTSA-N 1 3 353.576 2.583 20 0 FFADHO [NH2+]=C(NC[C@@H]1CC1(Cl)Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000849056414 749042618 /nfs/dbraw/zinc/04/26/18/749042618.db2.gz OVMBRGMSIPIVEM-AWEZNQCLSA-N 1 3 355.313 2.959 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(Br)c1 ZINC000849116414 749057043 /nfs/dbraw/zinc/05/70/43/749057043.db2.gz OXNQFOXAPOJUNZ-HNNXBMFYSA-N 1 3 353.308 2.590 20 0 FFADHO FC(F)(F)[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000850362753 749352678 /nfs/dbraw/zinc/35/26/78/749352678.db2.gz RYTMAZWXSYLWFH-IAGOWNOFSA-N 1 3 357.420 2.993 20 0 FFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850490750 749373042 /nfs/dbraw/zinc/37/30/42/749373042.db2.gz GCPSOHDXUDEHGD-NHBFPYQTSA-N 1 3 354.482 2.930 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000852861373 749965759 /nfs/dbraw/zinc/96/57/59/749965759.db2.gz CZXIIDPWSJZEJT-HOCLYGCPSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)n1 ZINC000852927404 749973872 /nfs/dbraw/zinc/97/38/72/749973872.db2.gz MSNWZWVPAYOATC-WBVHZDCISA-N 1 3 364.921 2.672 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)n1 ZINC000852927404 749973877 /nfs/dbraw/zinc/97/38/77/749973877.db2.gz MSNWZWVPAYOATC-WBVHZDCISA-N 1 3 364.921 2.672 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(CCN(C)Cc3ccccc3)CC2)C1 ZINC000659913101 970853843 /nfs/dbraw/zinc/85/38/43/970853843.db2.gz UMEUKTDRQZDHBY-VXKWHMMOSA-N 1 3 372.601 2.714 20 0 FFADHO CC(C)[N@H+](C)CC1CC[NH+](CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735857514 944706566 /nfs/dbraw/zinc/70/65/66/944706566.db2.gz TVUZYABOVLYLTR-UHFFFAOYSA-N 1 3 372.517 2.688 20 0 FFADHO CC(C)[N@@H+](C)CC1CC[NH+](CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735857514 944706576 /nfs/dbraw/zinc/70/65/76/944706576.db2.gz TVUZYABOVLYLTR-UHFFFAOYSA-N 1 3 372.517 2.688 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ncc(C)s2)C1 ZINC001104932661 971175215 /nfs/dbraw/zinc/17/52/15/971175215.db2.gz GMXOBMOVALKRLJ-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ncc(C)s2)C1 ZINC001104932661 971175222 /nfs/dbraw/zinc/17/52/22/971175222.db2.gz GMXOBMOVALKRLJ-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(Cl)n2)C1 ZINC001104937850 971184265 /nfs/dbraw/zinc/18/42/65/971184265.db2.gz JOXIMUGDGWEFQN-HZPDHXFCSA-N 1 3 366.937 2.651 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN2CC[C@H](c3noc(C)n3)C2)CC1 ZINC000896239028 971370064 /nfs/dbraw/zinc/37/00/64/971370064.db2.gz ZUKNCYKQXGBFMW-IBGZPJMESA-N 1 3 369.513 2.900 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC(C)C)C1 ZINC001105067092 971443571 /nfs/dbraw/zinc/44/35/71/971443571.db2.gz MANZZIPEYYAJQP-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ncccc3C)C[C@H]2C1 ZINC001087986244 971665791 /nfs/dbraw/zinc/66/57/91/971665791.db2.gz CCSZIYQGFPWYHD-DYXWJJEUSA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ncccc3C)C[C@H]2C1 ZINC001087986244 971665795 /nfs/dbraw/zinc/66/57/95/971665795.db2.gz CCSZIYQGFPWYHD-DYXWJJEUSA-N 1 3 370.541 2.545 20 0 FFADHO CCc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]3C2)cc1 ZINC001088011584 971845648 /nfs/dbraw/zinc/84/56/48/971845648.db2.gz UKMBGKJVCXYHQD-QHAWAJNXSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]3C2)cc1 ZINC001088011584 971845653 /nfs/dbraw/zinc/84/56/53/971845653.db2.gz UKMBGKJVCXYHQD-QHAWAJNXSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000660450343 971939478 /nfs/dbraw/zinc/93/94/78/971939478.db2.gz ROILOJRYFZKDRD-BHIYHBOVSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000660450343 971939480 /nfs/dbraw/zinc/93/94/80/971939480.db2.gz ROILOJRYFZKDRD-BHIYHBOVSA-N 1 3 358.530 2.994 20 0 FFADHO CC[NH+]1CCC(CN2CCC[C@]3(CC(=O)N(C4CCCC4)C3=O)C2)CC1 ZINC001275878400 1013127933 /nfs/dbraw/zinc/12/79/33/1013127933.db2.gz KDAUOIPIERLPLX-NRFANRHFSA-N 1 3 361.530 2.502 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC000969704159 959781828 /nfs/dbraw/zinc/78/18/28/959781828.db2.gz MMSUHMYYBJMAHX-JXXFODFXSA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC000969704159 959781841 /nfs/dbraw/zinc/78/18/41/959781841.db2.gz MMSUHMYYBJMAHX-JXXFODFXSA-N 1 3 366.509 2.512 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc(C)c(C)c3)C2)CC[N@@H+]1C ZINC000969705772 959783920 /nfs/dbraw/zinc/78/39/20/959783920.db2.gz DAMUHXGEHCNFSW-JRGCBEDISA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc(C)c(C)c3)C2)CC[N@H+]1C ZINC000969705772 959783933 /nfs/dbraw/zinc/78/39/33/959783933.db2.gz DAMUHXGEHCNFSW-JRGCBEDISA-N 1 3 357.542 2.970 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000683421007 960515520 /nfs/dbraw/zinc/51/55/20/960515520.db2.gz NKYIROBHRPVIJF-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000683421007 960515528 /nfs/dbraw/zinc/51/55/28/960515528.db2.gz NKYIROBHRPVIJF-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO O=C1CCCN1Cc1cccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655689071 961074618 /nfs/dbraw/zinc/07/46/18/961074618.db2.gz WKUPMQMYFDLIAU-NRFANRHFSA-N 1 3 371.525 2.542 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2ncccc2C)CC[N@@H+]1C ZINC000960008357 1013301447 /nfs/dbraw/zinc/30/14/47/1013301447.db2.gz NIDMTXAQDBTXFH-CMKODMSKSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2ncccc2C)CC[N@H+]1C ZINC000960008357 1013301460 /nfs/dbraw/zinc/30/14/60/1013301460.db2.gz NIDMTXAQDBTXFH-CMKODMSKSA-N 1 3 358.530 2.591 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001095438831 1013369795 /nfs/dbraw/zinc/36/97/95/1013369795.db2.gz MEUZKCXDUCLJKO-WIGAVFHRSA-N 1 3 355.526 2.811 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001095438831 1013369800 /nfs/dbraw/zinc/36/98/00/1013369800.db2.gz MEUZKCXDUCLJKO-WIGAVFHRSA-N 1 3 355.526 2.811 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c(C)s1 ZINC001095437840 1013373014 /nfs/dbraw/zinc/37/30/14/1013373014.db2.gz KERYYXSLGOXXTN-HBRVENNYSA-N 1 3 361.555 2.927 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c(C)s1 ZINC001095437840 1013373022 /nfs/dbraw/zinc/37/30/22/1013373022.db2.gz KERYYXSLGOXXTN-HBRVENNYSA-N 1 3 361.555 2.927 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000644900680 963039436 /nfs/dbraw/zinc/03/94/36/963039436.db2.gz XJYTYZWZWGRQFW-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@H](C)c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001022106976 964301005 /nfs/dbraw/zinc/30/10/05/964301005.db2.gz OAQGVUFMMVOMCD-WRUOCCKESA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@H](C)c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001022106976 964301015 /nfs/dbraw/zinc/30/10/15/964301015.db2.gz OAQGVUFMMVOMCD-WRUOCCKESA-N 1 3 365.468 2.993 20 0 FFADHO CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000684409378 964321548 /nfs/dbraw/zinc/32/15/48/964321548.db2.gz NGMRENUJUQIANA-IBGZPJMESA-N 1 3 373.522 2.670 20 0 FFADHO Nc1ccnc(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000891558963 964486152 /nfs/dbraw/zinc/48/61/52/964486152.db2.gz BVTKHLHQDXAPAP-LJQANCHMSA-N 1 3 353.470 2.690 20 0 FFADHO CCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664502473 964542714 /nfs/dbraw/zinc/54/27/14/964542714.db2.gz HLOCCULNAFZNDA-YLJYHZDGSA-N 1 3 373.545 2.733 20 0 FFADHO CCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664502473 964542718 /nfs/dbraw/zinc/54/27/18/964542718.db2.gz HLOCCULNAFZNDA-YLJYHZDGSA-N 1 3 373.545 2.733 20 0 FFADHO CN1CC[NH+](C2CCN(c3ccc(NC4=CCCN(C)C4)cc3)CC2)CC1 ZINC001175578156 1013514238 /nfs/dbraw/zinc/51/42/38/1013514238.db2.gz DOJXEQZYEXLLFK-UHFFFAOYSA-N 1 3 369.557 2.534 20 0 FFADHO C[C@H]1CN(CCC(=O)Nc2ccc(N(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC001175774534 1013556588 /nfs/dbraw/zinc/55/65/88/1013556588.db2.gz GBFHBUPWZOVMJY-KRWDZBQOSA-N 1 3 367.497 2.687 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001087181227 965289573 /nfs/dbraw/zinc/28/95/73/965289573.db2.gz HJDLXPSLYQXRAT-IMFGXOCKSA-N 1 3 361.530 2.752 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1occc1Br)CC2 ZINC001279133413 965335192 /nfs/dbraw/zinc/33/51/92/965335192.db2.gz SHZFGWXAYBDCES-UHFFFAOYSA-N 1 3 356.308 2.502 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000891895114 965358120 /nfs/dbraw/zinc/35/81/20/965358120.db2.gz BYOJUGKNSHWCOL-LJQANCHMSA-N 1 3 356.514 2.703 20 0 FFADHO CCOc1c(OC)cc(C[NH2+]Cc2ccnn2-c2ccncc2)cc1OC ZINC000657337978 966216804 /nfs/dbraw/zinc/21/68/04/966216804.db2.gz OPXBVKSKDVCYPD-UHFFFAOYSA-N 1 3 368.437 2.973 20 0 FFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc(CN2CCOCC2)cc1 ZINC001176281008 1013664216 /nfs/dbraw/zinc/66/42/16/1013664216.db2.gz HECPZAZLLQSFPU-IBGZPJMESA-N 1 3 366.509 2.625 20 0 FFADHO CC(C)N(C)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657596211 966941944 /nfs/dbraw/zinc/94/19/44/966941944.db2.gz MHENVFORMDXXIU-OAQYLSRUSA-N 1 3 368.525 2.783 20 0 FFADHO CC(C)N(C)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657596211 966941953 /nfs/dbraw/zinc/94/19/53/966941953.db2.gz MHENVFORMDXXIU-OAQYLSRUSA-N 1 3 368.525 2.783 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]C[C@H]2CCCCO2)CC1 ZINC001087230557 967111427 /nfs/dbraw/zinc/11/14/27/967111427.db2.gz AQBOGNASFICEQE-HSALFYBXSA-N 1 3 365.562 2.504 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000647978580 967197880 /nfs/dbraw/zinc/19/78/80/967197880.db2.gz VAPFSHZTPIDGCY-MOPGFXCFSA-N 1 3 355.526 2.894 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21 ZINC001168003032 967468942 /nfs/dbraw/zinc/46/89/42/967468942.db2.gz IVWICVXVFDPNRW-FSGLHJGXSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21 ZINC001168003032 967468951 /nfs/dbraw/zinc/46/89/51/967468951.db2.gz IVWICVXVFDPNRW-FSGLHJGXSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168003032 967468959 /nfs/dbraw/zinc/46/89/59/967468959.db2.gz IVWICVXVFDPNRW-FSGLHJGXSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168003032 967468965 /nfs/dbraw/zinc/46/89/65/967468965.db2.gz IVWICVXVFDPNRW-FSGLHJGXSA-N 1 3 361.530 2.943 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(CCc1ccccc1Br)C2 ZINC001279626805 967572703 /nfs/dbraw/zinc/57/27/03/967572703.db2.gz LHVZHEMMQGJBEJ-WBVHZDCISA-N 1 3 366.347 2.559 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000650728942 967621069 /nfs/dbraw/zinc/62/10/69/967621069.db2.gz WOWHQKCGIYFXSM-UYAOXDASSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001112159869 967640782 /nfs/dbraw/zinc/64/07/82/967640782.db2.gz FGTNXTDYQZUPFK-RBSFLKMASA-N 1 3 369.447 2.691 20 0 FFADHO CCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001075798475 967650200 /nfs/dbraw/zinc/65/02/00/967650200.db2.gz BZERANYNOKHJMK-FDFHNCONSA-N 1 3 367.537 2.624 20 0 FFADHO CCc1cccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001075799358 967654982 /nfs/dbraw/zinc/65/49/82/967654982.db2.gz ALXKOHVHEVVOSE-BHDDXSALSA-N 1 3 367.537 2.624 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC001029313682 967691358 /nfs/dbraw/zinc/69/13/58/967691358.db2.gz KFWNIVGPKZOITJ-MDMSPXHWSA-N 1 3 369.500 2.827 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@@H]2CCCC2(F)F)CC[N@H+]1C ZINC001029313682 967691363 /nfs/dbraw/zinc/69/13/63/967691363.db2.gz KFWNIVGPKZOITJ-MDMSPXHWSA-N 1 3 369.500 2.827 20 0 FFADHO CN1CCN(CCCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000895154390 967969874 /nfs/dbraw/zinc/96/98/74/967969874.db2.gz YZGOXYNWVJKINU-SEJPIABJSA-N 1 3 372.557 2.740 20 0 FFADHO CN1CCN(CCCOc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000895154390 967969878 /nfs/dbraw/zinc/96/98/78/967969878.db2.gz YZGOXYNWVJKINU-SEJPIABJSA-N 1 3 372.557 2.740 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc(OC)cc1 ZINC001087573728 968201856 /nfs/dbraw/zinc/20/18/56/968201856.db2.gz AWULJSHTDDTHMI-PCCBWWKXSA-N 1 3 371.525 2.506 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001176830699 1013784805 /nfs/dbraw/zinc/78/48/05/1013784805.db2.gz BKYKPJDVQQYZAM-UHFFFAOYSA-N 1 3 352.482 2.857 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC([NH2+]C3CCC3)CC2)N(C)C)cc1 ZINC000892409613 968346223 /nfs/dbraw/zinc/34/62/23/968346223.db2.gz JCXRXLPECSLSAU-FQEVSTJZSA-N 1 3 358.530 2.914 20 0 FFADHO CCc1ccc2c(c1)CCN2C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892522067 969352288 /nfs/dbraw/zinc/35/22/88/969352288.db2.gz OJCAAEVTNRADHQ-UHFFFAOYSA-N 1 3 370.541 2.880 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)C1CC[NH2+]CC1 ZINC000892530543 969375347 /nfs/dbraw/zinc/37/53/47/969375347.db2.gz QUXOZURWBGCVKI-LJQANCHMSA-N 1 3 358.530 2.743 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659029359 969644120 /nfs/dbraw/zinc/64/41/20/969644120.db2.gz HMIXARNVZNPZCI-LPHOPBHVSA-N 1 3 374.529 2.980 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659029359 969644123 /nfs/dbraw/zinc/64/41/23/969644123.db2.gz HMIXARNVZNPZCI-LPHOPBHVSA-N 1 3 374.529 2.980 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C[C@H]1C ZINC000659034190 969651507 /nfs/dbraw/zinc/65/15/07/969651507.db2.gz ARIHYKIWGYUWQM-MNEFBYGVSA-N 1 3 360.502 2.684 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C[C@H]1C ZINC000659034190 969651510 /nfs/dbraw/zinc/65/15/10/969651510.db2.gz ARIHYKIWGYUWQM-MNEFBYGVSA-N 1 3 360.502 2.684 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)[C@@H](C)C1 ZINC000659040085 969654185 /nfs/dbraw/zinc/65/41/85/969654185.db2.gz MMZCZENQDMHTOZ-SNRMKQJTSA-N 1 3 360.502 2.542 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)[C@@H](C)C1 ZINC000659040085 969654187 /nfs/dbraw/zinc/65/41/87/969654187.db2.gz MMZCZENQDMHTOZ-SNRMKQJTSA-N 1 3 360.502 2.542 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659038561 969656431 /nfs/dbraw/zinc/65/64/31/969656431.db2.gz SNSMSPALEWGPFK-BEFAXECRSA-N 1 3 360.502 2.542 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659042674 969663743 /nfs/dbraw/zinc/66/37/43/969663743.db2.gz LWAIBOUXKPCVRP-ZWKOTPCHSA-N 1 3 360.502 2.589 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659042674 969663746 /nfs/dbraw/zinc/66/37/46/969663746.db2.gz LWAIBOUXKPCVRP-ZWKOTPCHSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000659047757 969667517 /nfs/dbraw/zinc/66/75/17/969667517.db2.gz USXSQKCZIDPEFQ-JXFKEZNVSA-N 1 3 372.513 2.686 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@H+](C2CCC2)C1 ZINC000659047757 969667522 /nfs/dbraw/zinc/66/75/22/969667522.db2.gz USXSQKCZIDPEFQ-JXFKEZNVSA-N 1 3 372.513 2.686 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659426829 969917387 /nfs/dbraw/zinc/91/73/87/969917387.db2.gz FEVKRHFZRILLPU-RTWAWAEBSA-N 1 3 370.541 2.682 20 0 FFADHO COC[C@@]1(CNC2CC[NH+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000311385585 969926034 /nfs/dbraw/zinc/92/60/34/969926034.db2.gz ZAUFTHYMJMMXDH-FQEVSTJZSA-N 1 3 369.550 2.865 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)[C@H]1c1ccccc1 ZINC000659473591 969970053 /nfs/dbraw/zinc/97/00/53/969970053.db2.gz KOMIEUIDOSSJRU-QHAWAJNXSA-N 1 3 370.541 2.853 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)sn1 ZINC001104641191 970010519 /nfs/dbraw/zinc/01/05/19/970010519.db2.gz DVXKCBWTBFRNDC-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc4nc[nH]c43)(C1)CCC2 ZINC001279109274 970049450 /nfs/dbraw/zinc/04/94/50/970049450.db2.gz ARYGUKKMBKJFIK-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C3CCC([NH3+])CC3)cc2)CC1 ZINC000236611803 970051751 /nfs/dbraw/zinc/05/17/51/970051751.db2.gz WSSPXHJJUVUAQA-UHFFFAOYSA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681968 970094319 /nfs/dbraw/zinc/09/43/19/970094319.db2.gz UZVPDXKDMVQXDZ-MBOZVWFJSA-N 1 3 355.542 2.929 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccns1 ZINC001104682677 970099698 /nfs/dbraw/zinc/09/96/98/970099698.db2.gz ZRFXJFOOEUMWBD-HZPDHXFCSA-N 1 3 366.575 2.695 20 0 FFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1 ZINC001088106166 972822250 /nfs/dbraw/zinc/82/22/50/972822250.db2.gz OURDHEQGGZJHER-SCTDSRPQSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1 ZINC001088106166 972822266 /nfs/dbraw/zinc/82/22/66/972822266.db2.gz OURDHEQGGZJHER-SCTDSRPQSA-N 1 3 359.489 2.590 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC(F)(F)C4)CC[C@@H]3C2)C1 ZINC001088107142 972828690 /nfs/dbraw/zinc/82/86/90/972828690.db2.gz JBHHBZCMNWUHPA-SJORKVTESA-N 1 3 369.500 2.544 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC(F)(F)C4)CC[C@@H]3C2)C1 ZINC001088107142 972828697 /nfs/dbraw/zinc/82/86/97/972828697.db2.gz JBHHBZCMNWUHPA-SJORKVTESA-N 1 3 369.500 2.544 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCc3ccsc3)CC[C@@H]2C1)N(C)C ZINC001088109761 972842717 /nfs/dbraw/zinc/84/27/17/972842717.db2.gz XSGPGSDEKMYVCO-QYZOEREBSA-N 1 3 363.571 2.801 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCc3ccsc3)CC[C@@H]2C1)N(C)C ZINC001088109761 972842729 /nfs/dbraw/zinc/84/27/29/972842729.db2.gz XSGPGSDEKMYVCO-QYZOEREBSA-N 1 3 363.571 2.801 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121227 972916643 /nfs/dbraw/zinc/91/66/43/972916643.db2.gz UTCHWHKBYSGAGJ-MSOLQXFVSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121227 972916648 /nfs/dbraw/zinc/91/66/48/972916648.db2.gz UTCHWHKBYSGAGJ-MSOLQXFVSA-N 1 3 352.482 2.550 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001088130062 972978617 /nfs/dbraw/zinc/97/86/17/972978617.db2.gz UHZGMRUAJXVTAP-UQUAGTSHSA-N 1 3 353.938 2.784 20 0 FFADHO CCC[N@H+](C[C@@H](O)CN1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000728388489 973242897 /nfs/dbraw/zinc/24/28/97/973242897.db2.gz ZOZLPYGUSXBZGJ-YADHBBJMSA-N 1 3 359.558 2.820 20 0 FFADHO CCC[N@@H+](C[C@@H](O)CN1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000728388489 973242904 /nfs/dbraw/zinc/24/29/04/973242904.db2.gz ZOZLPYGUSXBZGJ-YADHBBJMSA-N 1 3 359.558 2.820 20 0 FFADHO C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639053 973786029 /nfs/dbraw/zinc/78/60/29/973786029.db2.gz KIQIEFBJFZOYKB-LSDHHAIUSA-N 1 3 370.488 2.939 20 0 FFADHO C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639053 973786037 /nfs/dbraw/zinc/78/60/37/973786037.db2.gz KIQIEFBJFZOYKB-LSDHHAIUSA-N 1 3 370.488 2.939 20 0 FFADHO COc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665638081 973793232 /nfs/dbraw/zinc/79/32/32/973793232.db2.gz YGQSGNVCXMBYQI-DLBZAZTESA-N 1 3 364.534 2.670 20 0 FFADHO COc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665638081 973793238 /nfs/dbraw/zinc/79/32/38/973793238.db2.gz YGQSGNVCXMBYQI-DLBZAZTESA-N 1 3 364.534 2.670 20 0 FFADHO C[C@H]1CC(N2CCN(CC(C)(C)O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168066334 973879983 /nfs/dbraw/zinc/87/99/83/973879983.db2.gz NZBBIXWLRTVJII-OALUTQOASA-N 1 3 359.558 2.817 20 0 FFADHO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662788582 974080580 /nfs/dbraw/zinc/08/05/80/974080580.db2.gz MFCWQDUJOMMBCB-UHFFFAOYSA-N 1 3 358.486 2.505 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000652174167 974671816 /nfs/dbraw/zinc/67/18/16/974671816.db2.gz KXHGWTNKNWFMKE-UXHICEINSA-N 1 3 352.482 2.651 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]([C@H]2CCCCO2)C1)c1ccccc1 ZINC000661872435 974893105 /nfs/dbraw/zinc/89/31/05/974893105.db2.gz AEJWFRSBLSDGEQ-PWRODBHTSA-N 1 3 373.541 2.687 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1 ZINC001112529495 975346693 /nfs/dbraw/zinc/34/66/93/975346693.db2.gz BYESQOBPYVABTB-NWSQWKLXSA-N 1 3 369.553 2.932 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C/C=C/Cl)C2)C1 ZINC001112530072 975492426 /nfs/dbraw/zinc/49/24/26/975492426.db2.gz BSWAZWACGAKLLI-YVTZDDIASA-N 1 3 353.938 2.689 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2c(s1)CCNC2 ZINC000662445326 975546888 /nfs/dbraw/zinc/54/68/88/975546888.db2.gz OZTGBUVAURHOGQ-QGZVFWFLSA-N 1 3 369.534 2.688 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2c(s1)CCNC2 ZINC000662445326 975546895 /nfs/dbraw/zinc/54/68/95/975546895.db2.gz OZTGBUVAURHOGQ-QGZVFWFLSA-N 1 3 369.534 2.688 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001027893093 975742173 /nfs/dbraw/zinc/74/21/73/975742173.db2.gz MLIRMQQLNNEWLQ-IRFCIJBXSA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001027893093 975742180 /nfs/dbraw/zinc/74/21/80/975742180.db2.gz MLIRMQQLNNEWLQ-IRFCIJBXSA-N 1 3 368.525 2.979 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)N2CCCC2)cc1 ZINC000662699523 975840503 /nfs/dbraw/zinc/84/05/03/975840503.db2.gz BSMAYPNPRDYGAE-FUHWJXTLSA-N 1 3 369.431 2.790 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCC(C)C)C1)N(C)C ZINC001112531248 975868963 /nfs/dbraw/zinc/86/89/63/975868963.db2.gz NSVWKUGPIUVQHT-ZJOUEHCJSA-N 1 3 367.578 2.608 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@]34CCCC[C@@H]3C4(F)F)CC2)CC1 ZINC000667642059 976572637 /nfs/dbraw/zinc/57/26/37/976572637.db2.gz NEHRUVIHCYBUHP-HKUYNNGSSA-N 1 3 369.500 2.877 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000899020066 976867462 /nfs/dbraw/zinc/86/74/62/976867462.db2.gz SASWVSWPAPOQHH-NQIIRXRSSA-N 1 3 373.541 2.973 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000899020066 976867477 /nfs/dbraw/zinc/86/74/77/976867477.db2.gz SASWVSWPAPOQHH-NQIIRXRSSA-N 1 3 373.541 2.973 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cccc(F)c2)CC3)CC[N@@H+]1C ZINC000990759491 976932206 /nfs/dbraw/zinc/93/22/06/976932206.db2.gz CHXRQIPXUGFUIF-FEGHXTNJSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cccc(F)c2)CC3)CC[N@H+]1C ZINC000990759491 976932211 /nfs/dbraw/zinc/93/22/11/976932211.db2.gz CHXRQIPXUGFUIF-FEGHXTNJSA-N 1 3 359.489 2.779 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000667793499 977041838 /nfs/dbraw/zinc/04/18/38/977041838.db2.gz CQXPGCJDPDCMBI-UHFFFAOYSA-N 1 3 359.518 2.703 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000667793499 977041849 /nfs/dbraw/zinc/04/18/49/977041849.db2.gz CQXPGCJDPDCMBI-UHFFFAOYSA-N 1 3 359.518 2.703 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667802531 977058775 /nfs/dbraw/zinc/05/87/75/977058775.db2.gz TUFZIDBQSUEKAO-BEFAXECRSA-N 1 3 365.481 2.512 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)CC[N@H+]1Cc1ccccc1 ZINC000667802531 977058781 /nfs/dbraw/zinc/05/87/81/977058781.db2.gz TUFZIDBQSUEKAO-BEFAXECRSA-N 1 3 365.481 2.512 20 0 FFADHO C[C@H]1C[N@H+](Cc2cnc3c(F)cccc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000876782448 1014391755 /nfs/dbraw/zinc/39/17/55/1014391755.db2.gz RGLKSFLEQGVEPT-JXFKEZNVSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cnc3c(F)cccc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000876782448 1014391768 /nfs/dbraw/zinc/39/17/68/1014391768.db2.gz RGLKSFLEQGVEPT-JXFKEZNVSA-N 1 3 356.489 2.832 20 0 FFADHO COc1cc2cc[nH+]c(N3CCC[C@H](CN4CCOCC4)C3)c2cc1OC ZINC000663878724 977705059 /nfs/dbraw/zinc/70/50/59/977705059.db2.gz MFCUZVJOGOACOC-MRXNPFEDSA-N 1 3 371.481 2.801 20 0 FFADHO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664075381 977984550 /nfs/dbraw/zinc/98/45/50/977984550.db2.gz SKNPPOSGMSGKMD-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000664075381 977984561 /nfs/dbraw/zinc/98/45/61/977984561.db2.gz SKNPPOSGMSGKMD-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000877053985 1014462569 /nfs/dbraw/zinc/46/25/69/1014462569.db2.gz CVDAFUUZJLCPJO-UHFFFAOYSA-N 1 3 372.494 2.653 20 0 FFADHO c1ccc([C@@H]2C[C@@H](NC[C@@H]3COC4(CCOCC4)O3)CC[N@@H+]2C2CC2)cc1 ZINC000877143091 1014487207 /nfs/dbraw/zinc/48/72/07/1014487207.db2.gz ZWQARORQGAISBJ-TYPHKJRUSA-N 1 3 372.509 2.866 20 0 FFADHO c1ccc([C@@H]2C[C@@H](NC[C@@H]3COC4(CCOCC4)O3)CC[N@H+]2C2CC2)cc1 ZINC000877143091 1014487213 /nfs/dbraw/zinc/48/72/13/1014487213.db2.gz ZWQARORQGAISBJ-TYPHKJRUSA-N 1 3 372.509 2.866 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCc3ccccn3)C2)CC[N@@H+]1C ZINC001088317080 979132225 /nfs/dbraw/zinc/13/22/25/979132225.db2.gz QUCZCVXYSWXDAU-SLFFLAALSA-N 1 3 358.530 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCc3ccccn3)C2)CC[N@H+]1C ZINC001088317080 979132230 /nfs/dbraw/zinc/13/22/30/979132230.db2.gz QUCZCVXYSWXDAU-SLFFLAALSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@H]1CN(C[C@H](C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c2ccccc2)C[C@]1(C)CO ZINC000639864608 979193111 /nfs/dbraw/zinc/19/31/11/979193111.db2.gz ZJMPUAVRLWHPQJ-AEDQLDONSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1CN(C[C@H](C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c2ccccc2)C[C@]1(C)CO ZINC000639864608 979193116 /nfs/dbraw/zinc/19/31/16/979193116.db2.gz ZJMPUAVRLWHPQJ-AEDQLDONSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1C[N@@H+](C[C@H](CN2C[C@@H](C)[C@@](C)(CO)C2)c2ccccc2)C[C@]1(C)CO ZINC000639864608 979193121 /nfs/dbraw/zinc/19/31/21/979193121.db2.gz ZJMPUAVRLWHPQJ-AEDQLDONSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1C[N@H+](C[C@H](CN2C[C@@H](C)[C@@](C)(CO)C2)c2ccccc2)C[C@]1(C)CO ZINC000639864608 979193127 /nfs/dbraw/zinc/19/31/27/979193127.db2.gz ZJMPUAVRLWHPQJ-AEDQLDONSA-N 1 3 374.569 2.671 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)cc1C ZINC001076242321 979275255 /nfs/dbraw/zinc/27/52/55/979275255.db2.gz ADQRBKAUZGDYKI-TYCQWZJGSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)cc1C ZINC001076242321 979275260 /nfs/dbraw/zinc/27/52/60/979275260.db2.gz ADQRBKAUZGDYKI-TYCQWZJGSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001076244354 979279174 /nfs/dbraw/zinc/27/91/74/979279174.db2.gz PLXBBGQFOKPKLN-BULFRSBZSA-N 1 3 367.537 2.939 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001076244354 979279181 /nfs/dbraw/zinc/27/91/81/979279181.db2.gz PLXBBGQFOKPKLN-BULFRSBZSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)C1 ZINC001076457839 979515590 /nfs/dbraw/zinc/51/55/90/979515590.db2.gz SUQRWGRJOUMLCH-UJSDAUJYSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)C1 ZINC001076457839 979515598 /nfs/dbraw/zinc/51/55/98/979515598.db2.gz SUQRWGRJOUMLCH-UJSDAUJYSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)C1 ZINC001076457837 979515839 /nfs/dbraw/zinc/51/58/39/979515839.db2.gz SUQRWGRJOUMLCH-JVUOQXIVSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)C1 ZINC001076457837 979515848 /nfs/dbraw/zinc/51/58/48/979515848.db2.gz SUQRWGRJOUMLCH-JVUOQXIVSA-N 1 3 353.510 2.574 20 0 FFADHO CC(C)c1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001076567850 979665810 /nfs/dbraw/zinc/66/58/10/979665810.db2.gz KSVJOGVRTABOPC-PCCBWWKXSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)c1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001076567850 979665815 /nfs/dbraw/zinc/66/58/15/979665815.db2.gz KSVJOGVRTABOPC-PCCBWWKXSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)Oc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494075 980056860 /nfs/dbraw/zinc/05/68/60/980056860.db2.gz KHHOUQMITAEQOM-NZSAHSFTSA-N 1 3 359.514 2.647 20 0 FFADHO CC(C)Oc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494075 980056871 /nfs/dbraw/zinc/05/68/71/980056871.db2.gz KHHOUQMITAEQOM-NZSAHSFTSA-N 1 3 359.514 2.647 20 0 FFADHO c1cc2c(cc1[C@@H]1CCCN1C[C@H]1CC3(CO1)CC[NH2+]CC3)OCCO2 ZINC000903717500 980092899 /nfs/dbraw/zinc/09/28/99/980092899.db2.gz BBGBESFIHXFMEK-MSOLQXFVSA-N 1 3 358.482 2.753 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001112211975 980221476 /nfs/dbraw/zinc/22/14/76/980221476.db2.gz GVCSJGBEMOSAER-HZPDHXFCSA-N 1 3 361.452 2.806 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccccc1OCc1ccccn1)CC2 ZINC000904389272 980260852 /nfs/dbraw/zinc/26/08/52/980260852.db2.gz JHQSECOVWPSLJK-HXUWFJFHSA-N 1 3 367.493 2.990 20 0 FFADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904596735 980307373 /nfs/dbraw/zinc/30/73/73/980307373.db2.gz MEPSRJOZIYLGLZ-HNNXBMFYSA-N 1 3 360.502 2.597 20 0 FFADHO C[C@H](Cc1ccc(Cl)cc1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001168176458 980528216 /nfs/dbraw/zinc/52/82/16/980528216.db2.gz FUFIBIGYCKLIJJ-BEKAIBRUSA-N 1 3 373.932 2.957 20 0 FFADHO C[C@H](Cc1ccc(Cl)cc1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001168176458 980528219 /nfs/dbraw/zinc/52/82/19/980528219.db2.gz FUFIBIGYCKLIJJ-BEKAIBRUSA-N 1 3 373.932 2.957 20 0 FFADHO Cc1ccn(-c2ccccc2NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000666327987 980715923 /nfs/dbraw/zinc/71/59/23/980715923.db2.gz CGWNXQGARPRJFB-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1ccn(-c2ccccc2NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000666327987 980715928 /nfs/dbraw/zinc/71/59/28/980715928.db2.gz CGWNXQGARPRJFB-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1-c1ccccc1 ZINC000666542317 980967775 /nfs/dbraw/zinc/96/77/75/980967775.db2.gz PNCMRWUJWVHNHU-INIZCTEOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1-c1ccccc1 ZINC000666542317 980967777 /nfs/dbraw/zinc/96/77/77/980967777.db2.gz PNCMRWUJWVHNHU-INIZCTEOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)c(C)s1 ZINC001088568488 981158770 /nfs/dbraw/zinc/15/87/70/981158770.db2.gz JTVGTZXHNZBERJ-CCKFTAQKSA-N 1 3 361.555 2.786 20 0 FFADHO C[C@H](CCNCc1cc(-c2ccccc2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482833743 981558886 /nfs/dbraw/zinc/55/88/86/981558886.db2.gz KVWRTVVATBFZGZ-GPMSIDNRSA-N 1 3 370.497 2.666 20 0 FFADHO C[C@H](CCNCc1cc(-c2ccccc2)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482833743 981558890 /nfs/dbraw/zinc/55/88/90/981558890.db2.gz KVWRTVVATBFZGZ-GPMSIDNRSA-N 1 3 370.497 2.666 20 0 FFADHO COc1ccc2c(c1)C[C@H]([N@H+]1CCc3ncc(CN4CCCC4)n3CC1)C2 ZINC001168270773 981561206 /nfs/dbraw/zinc/56/12/06/981561206.db2.gz FKGDCBJCNRLLNA-LJQANCHMSA-N 1 3 366.509 2.513 20 0 FFADHO COc1ccc2c(c1)C[C@H]([N@@H+]1CCc3ncc(CN4CCCC4)n3CC1)C2 ZINC001168270773 981561209 /nfs/dbraw/zinc/56/12/09/981561209.db2.gz FKGDCBJCNRLLNA-LJQANCHMSA-N 1 3 366.509 2.513 20 0 FFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC000911763807 983892144 /nfs/dbraw/zinc/89/21/44/983892144.db2.gz JTLXZNOBPIKRQN-LJQANCHMSA-N 1 3 353.466 2.722 20 0 FFADHO COCCO[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000670271020 983969616 /nfs/dbraw/zinc/96/96/16/983969616.db2.gz FEHPUZIWBYCNOK-NRFANRHFSA-N 1 3 362.514 2.789 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC([NH+]2CCC2)CC1 ZINC000912880337 984137850 /nfs/dbraw/zinc/13/78/50/984137850.db2.gz AYHUKFQTPKXXSS-GOSISDBHSA-N 1 3 359.489 2.734 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)N1CCc2ccccc2C1 ZINC000669292947 984414655 /nfs/dbraw/zinc/41/46/55/984414655.db2.gz XITXZGMCWBLDGA-UXPWSPDFSA-N 1 3 358.530 2.592 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3c(F)cccc3F)CC2)CC[N@@H+]1C ZINC000996603979 984430193 /nfs/dbraw/zinc/43/01/93/984430193.db2.gz PCVDCKFQWZNZJN-HNAYVOBHSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3c(F)cccc3F)CC2)CC[N@H+]1C ZINC000996603979 984430196 /nfs/dbraw/zinc/43/01/96/984430196.db2.gz PCVDCKFQWZNZJN-HNAYVOBHSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@H]1CN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000669389225 984512258 /nfs/dbraw/zinc/51/22/58/984512258.db2.gz ZRZIQLVOPSLURD-QFBILLFUSA-N 1 3 358.530 2.592 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2)C1CC1 ZINC001107438455 984538724 /nfs/dbraw/zinc/53/87/24/984538724.db2.gz AYRXJMDCWYMPGN-KCZVDYSFSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2)C1CC1 ZINC001107438455 984538730 /nfs/dbraw/zinc/53/87/30/984538730.db2.gz AYRXJMDCWYMPGN-KCZVDYSFSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483631 984651687 /nfs/dbraw/zinc/65/16/87/984651687.db2.gz FYLYRBQERCXYOT-FXAWDEMLSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(F)(F)F)CC3)C1 ZINC001107546861 984672495 /nfs/dbraw/zinc/67/24/95/984672495.db2.gz RKOSGAIVSSJWRJ-BFYDXBDKSA-N 1 3 361.452 2.641 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(F)(F)F)CC3)C1 ZINC001107546861 984672502 /nfs/dbraw/zinc/67/25/02/984672502.db2.gz RKOSGAIVSSJWRJ-BFYDXBDKSA-N 1 3 361.452 2.641 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1scnc1C)CC2)N(C)C ZINC001107553081 984683234 /nfs/dbraw/zinc/68/32/34/984683234.db2.gz AKFPLOBKEGICML-KVSKMBFKSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1scnc1C)CC2)N(C)C ZINC001107553081 984683237 /nfs/dbraw/zinc/68/32/37/984683237.db2.gz AKFPLOBKEGICML-KVSKMBFKSA-N 1 3 364.559 2.653 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@H]1CCCCO1)CC2 ZINC001107615191 984824892 /nfs/dbraw/zinc/82/48/92/984824892.db2.gz WQVQJWNFGNPODA-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@H]1CCCCO1)CC2 ZINC001107615191 984824912 /nfs/dbraw/zinc/82/49/12/984824912.db2.gz WQVQJWNFGNPODA-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)N(C)C)cc1 ZINC000669586978 984864458 /nfs/dbraw/zinc/86/44/58/984864458.db2.gz GAPVVTZXGMDRAN-JBACZVJFSA-N 1 3 372.557 2.881 20 0 FFADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000765426594 985084592 /nfs/dbraw/zinc/08/45/92/985084592.db2.gz NOHUTTIPEDGGBV-AVRDEDQJSA-N 1 3 357.542 2.882 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=S)NC2CCN(C)CC2)CC1 ZINC000063148869 985739304 /nfs/dbraw/zinc/73/93/04/985739304.db2.gz OCJMMJGGXNEBMZ-UHFFFAOYSA-N 1 3 374.598 2.977 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797470 985876588 /nfs/dbraw/zinc/87/65/88/985876588.db2.gz LOAFZRTUOMHZTK-INIZCTEOSA-N 1 3 361.505 2.679 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001089039070 986059091 /nfs/dbraw/zinc/05/90/91/986059091.db2.gz VPEUIICTTMPFLO-UIFIKXQLSA-N 1 3 357.542 2.916 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001089039070 986059103 /nfs/dbraw/zinc/05/91/03/986059103.db2.gz VPEUIICTTMPFLO-UIFIKXQLSA-N 1 3 357.542 2.916 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC001089058942 986136773 /nfs/dbraw/zinc/13/67/73/986136773.db2.gz QPMVELXLXDWVJR-UXPWSPDFSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1C[C@@H]1CCCCO1 ZINC001089058942 986136779 /nfs/dbraw/zinc/13/67/79/986136779.db2.gz QPMVELXLXDWVJR-UXPWSPDFSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1CN(Cc2c[nH]c3ncc(Br)nc23)CCC[C@@H]1C[NH3+] ZINC001206025421 1032112691 /nfs/dbraw/zinc/11/26/91/1032112691.db2.gz NYMQOCJGMUTDDX-GHMZBOCLSA-N 1 3 352.280 2.527 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC000998792956 986255146 /nfs/dbraw/zinc/25/51/46/986255146.db2.gz GSEJDZHHVDAQMY-BXNZUYAZSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC000998792956 986255150 /nfs/dbraw/zinc/25/51/50/986255150.db2.gz GSEJDZHHVDAQMY-BXNZUYAZSA-N 1 3 365.468 2.774 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000999201474 986396268 /nfs/dbraw/zinc/39/62/68/986396268.db2.gz SUTZHCBAEUBBJD-TXPKVOOTSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000999201474 986396280 /nfs/dbraw/zinc/39/62/80/986396280.db2.gz SUTZHCBAEUBBJD-TXPKVOOTSA-N 1 3 365.468 2.776 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000913858978 986970659 /nfs/dbraw/zinc/97/06/59/986970659.db2.gz FSTRRXNVJOPJHF-OBXNSHGQSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921840195 987203601 /nfs/dbraw/zinc/20/36/01/987203601.db2.gz BZUKRXGGXWWYTJ-IRXDYDNUSA-N 1 3 368.525 2.739 20 0 FFADHO CN(Cc1ccccc1)C1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000672684342 987532087 /nfs/dbraw/zinc/53/20/87/987532087.db2.gz YMZGSBHCBUFLMY-UHFFFAOYSA-N 1 3 362.437 2.615 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495704 987766067 /nfs/dbraw/zinc/76/60/67/987766067.db2.gz OCSLWZFDXFHSHS-QZTJIDSGSA-N 1 3 353.551 2.645 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495704 987766073 /nfs/dbraw/zinc/76/60/73/987766073.db2.gz OCSLWZFDXFHSHS-QZTJIDSGSA-N 1 3 353.551 2.645 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])N[C@H]1Cc2cccc(Cl)c2C1 ZINC001168704714 987829873 /nfs/dbraw/zinc/82/98/73/987829873.db2.gz OYJPBUWFKRVAJH-BBRMVZONSA-N 1 3 353.894 2.987 20 0 FFADHO CC[C@@H](CNC(=S)NC[C@H]1CCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000914704156 987864138 /nfs/dbraw/zinc/86/41/38/987864138.db2.gz PKAZTVPKQZLOMC-VQTJNVASSA-N 1 3 374.598 2.772 20 0 FFADHO CC[C@@H](CNC(=S)NC[C@H]1CCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000914704156 987864140 /nfs/dbraw/zinc/86/41/40/987864140.db2.gz PKAZTVPKQZLOMC-VQTJNVASSA-N 1 3 374.598 2.772 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106370969 988039408 /nfs/dbraw/zinc/03/94/08/988039408.db2.gz KEDGXOCIKQVZRA-XPWVWULPSA-N 1 3 360.329 2.618 20 0 FFADHO COc1cc2c(c(CN[C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)c1)O[C@H](C)C2 ZINC000922390087 988545137 /nfs/dbraw/zinc/54/51/37/988545137.db2.gz XGOBQUBVBDZBSC-HRLOXLBDSA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(c(CN[C@@H]3C[C@@]4(C[N@@H+](C)[C@H]4C(C)C)C[C@H]3O)c1)O[C@H](C)C2 ZINC000922390087 988545149 /nfs/dbraw/zinc/54/51/49/988545149.db2.gz XGOBQUBVBDZBSC-HRLOXLBDSA-N 1 3 374.525 2.588 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3OC)C2)[C@@H]1C(C)C ZINC000922392284 988550683 /nfs/dbraw/zinc/55/06/83/988550683.db2.gz KUNNOTUZIWSNLR-QCFAMHMHSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3OC)C2)[C@@H]1C(C)C ZINC000922392284 988550686 /nfs/dbraw/zinc/55/06/86/988550686.db2.gz KUNNOTUZIWSNLR-QCFAMHMHSA-N 1 3 362.514 2.663 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665066 988608228 /nfs/dbraw/zinc/60/82/28/988608228.db2.gz GOHKPJVHCRJXJC-WOIUINJBSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001106667940 988615092 /nfs/dbraw/zinc/61/50/92/988615092.db2.gz CZIWAEIYPRDBSA-ZIAGYGMSSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000673593323 988752403 /nfs/dbraw/zinc/75/24/03/988752403.db2.gz DDIXXALTTDPBMD-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001033091845 988772854 /nfs/dbraw/zinc/77/28/54/988772854.db2.gz NKYMCEPROMTHIM-TYCQWZJGSA-N 1 3 355.526 2.548 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001033091845 988772863 /nfs/dbraw/zinc/77/28/63/988772863.db2.gz NKYMCEPROMTHIM-TYCQWZJGSA-N 1 3 355.526 2.548 20 0 FFADHO COc1ccc(CN2CC[C@@H](N3CCC4(CC3)CC[NH+](C)CC4)C2=O)cc1 ZINC000879250817 1015438537 /nfs/dbraw/zinc/43/85/37/1015438537.db2.gz JALZVDYPIZQBGA-HXUWFJFHSA-N 1 3 371.525 2.604 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106783320 989043361 /nfs/dbraw/zinc/04/33/61/989043361.db2.gz MKNSRQNEPMCFML-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000673770670 989253421 /nfs/dbraw/zinc/25/34/21/989253421.db2.gz PBUNYNRTNRUOKL-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000673770670 989253431 /nfs/dbraw/zinc/25/34/31/989253431.db2.gz PBUNYNRTNRUOKL-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CN(CCCN(C)C(=O)NCc1ccc(C[NH3+])cc1F)Cc1ccco1 ZINC000652270726 1015513347 /nfs/dbraw/zinc/51/33/47/1015513347.db2.gz OQRUWEJOQUUPOT-UHFFFAOYSA-N 1 3 362.449 2.541 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000674701257 989870693 /nfs/dbraw/zinc/87/06/93/989870693.db2.gz KNJVLRCKZGQGPZ-UYAOXDASSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000674701257 989870700 /nfs/dbraw/zinc/87/07/00/989870700.db2.gz KNJVLRCKZGQGPZ-UYAOXDASSA-N 1 3 370.541 2.838 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675120605 990059723 /nfs/dbraw/zinc/05/97/23/990059723.db2.gz JVAUUZBOGHHEMQ-YLJYHZDGSA-N 1 3 362.562 2.767 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000923390846 991109862 /nfs/dbraw/zinc/10/98/62/991109862.db2.gz YOLXAPSAXLUKBY-DTDBQYNISA-N 1 3 372.431 2.957 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2csc(CC)n2)[C@H](C)C1 ZINC001106907630 991395019 /nfs/dbraw/zinc/39/50/19/991395019.db2.gz VARZSYONOAFENV-HZPDHXFCSA-N 1 3 366.575 2.622 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2csc(CC)n2)[C@H](C)C1 ZINC001106907630 991395024 /nfs/dbraw/zinc/39/50/24/991395024.db2.gz VARZSYONOAFENV-HZPDHXFCSA-N 1 3 366.575 2.622 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000649315720 991439233 /nfs/dbraw/zinc/43/92/33/991439233.db2.gz DWJGMSCJHVOGNM-AZUAARDMSA-N 1 3 359.514 2.737 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379681877 991578544 /nfs/dbraw/zinc/57/85/44/991578544.db2.gz UKVPUQAWVJNIBT-IOMROCGXSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379681877 991578561 /nfs/dbraw/zinc/57/85/61/991578561.db2.gz UKVPUQAWVJNIBT-IOMROCGXSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C/Cl)CC2)CC[N@@H+]1C ZINC001484568212 991683455 /nfs/dbraw/zinc/68/34/55/991683455.db2.gz GOYJRDXVKPJWKU-NVRYOCAPSA-N 1 3 362.345 2.910 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C/Cl)CC2)CC[N@H+]1C ZINC001484568212 991683457 /nfs/dbraw/zinc/68/34/57/991683457.db2.gz GOYJRDXVKPJWKU-NVRYOCAPSA-N 1 3 362.345 2.910 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079159107 991861933 /nfs/dbraw/zinc/86/19/33/991861933.db2.gz KKZYGEDYBSEXIH-LSTHTHJFSA-N 1 3 361.505 2.994 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)CC[C@H]1c1ccc(F)cc1 ZINC001079162251 991867364 /nfs/dbraw/zinc/86/73/64/991867364.db2.gz BSLCFVKSCFZIAI-ZCNNSNEGSA-N 1 3 361.505 2.994 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198448 991871615 /nfs/dbraw/zinc/87/16/15/991871615.db2.gz ACSVMCSJFMJDJS-RBUKOAKNSA-N 1 3 361.505 2.852 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3conc3C)CCCCC2)CC[N@@H+]1C ZINC001485450191 991943253 /nfs/dbraw/zinc/94/32/53/991943253.db2.gz BVUGHGCZRRDJNP-ZWKOTPCHSA-N 1 3 362.518 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3conc3C)CCCCC2)CC[N@H+]1C ZINC001485450191 991943263 /nfs/dbraw/zinc/94/32/63/991943263.db2.gz BVUGHGCZRRDJNP-ZWKOTPCHSA-N 1 3 362.518 2.622 20 0 FFADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1CN1CCCCC1 ZINC000182999247 992335856 /nfs/dbraw/zinc/33/58/56/992335856.db2.gz UHBSCKUVESGKBQ-QFBILLFUSA-N 1 3 359.514 2.953 20 0 FFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001079710499 992350827 /nfs/dbraw/zinc/35/08/27/992350827.db2.gz KOHCHSQUZRQKPR-MAODMQOUSA-N 1 3 355.526 2.527 20 0 FFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786487 993372851 /nfs/dbraw/zinc/37/28/51/993372851.db2.gz NAFHWOSXMYQNFM-LZQZEXGQSA-N 1 3 359.489 2.809 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1c1ccncc1 ZINC000880258831 1015791294 /nfs/dbraw/zinc/79/12/94/1015791294.db2.gz CWCRHAICPYMGFS-QGZVFWFLSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1c1ccncc1 ZINC000880258831 1015791298 /nfs/dbraw/zinc/79/12/98/1015791298.db2.gz CWCRHAICPYMGFS-QGZVFWFLSA-N 1 3 358.530 2.877 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512330840 993663781 /nfs/dbraw/zinc/66/37/81/993663781.db2.gz YNHRDRDXAPVOTR-SJLPKXTDSA-N 1 3 367.484 2.990 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066548 994142851 /nfs/dbraw/zinc/14/28/51/994142851.db2.gz XKKSNIIXTOKFLC-IJXRJRJASA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066548 994142861 /nfs/dbraw/zinc/14/28/61/994142861.db2.gz XKKSNIIXTOKFLC-IJXRJRJASA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CCCC2)CC1 ZINC001131608670 994455046 /nfs/dbraw/zinc/45/50/46/994455046.db2.gz KOJJLVPWTHVHCA-CTNGQTDRSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608818 994455141 /nfs/dbraw/zinc/45/51/41/994455141.db2.gz OSWXECJDVWRVJN-CTNGQTDRSA-N 1 3 367.578 2.749 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CCCC[C@@H]3C)cc2)CC1 ZINC000727105696 994490979 /nfs/dbraw/zinc/49/09/79/994490979.db2.gz MMGNKTOGLQXQFZ-PXNSSMCTSA-N 1 3 358.530 2.935 20 0 FFADHO CCOCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000809737516 994599682 /nfs/dbraw/zinc/59/96/82/994599682.db2.gz VVIBQQLOEWUWJL-UHFFFAOYSA-N 1 3 361.530 2.519 20 0 FFADHO C[n+]1cccc(NC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC001170597103 994699591 /nfs/dbraw/zinc/69/95/91/994699591.db2.gz SKSQXZDXXJJQES-HSZRJFAPSA-N 1 3 362.497 2.986 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001082557047 994924953 /nfs/dbraw/zinc/92/49/53/994924953.db2.gz MRJQVFSVPZBZMH-OXQOHEQNSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC001082559877 994934551 /nfs/dbraw/zinc/93/45/51/994934551.db2.gz RKHBPCRQSAZAKV-XWIAVFTESA-N 1 3 365.468 2.901 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001082559541 994934796 /nfs/dbraw/zinc/93/47/96/994934796.db2.gz ILKRYHKTQUTLLE-LXGCGDOSSA-N 1 3 355.482 2.710 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC001082561646 994940984 /nfs/dbraw/zinc/94/09/84/994940984.db2.gz HEEMYOSHRISDEN-RHSMWYFYSA-N 1 3 357.489 2.733 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc3cccnc32)C1)N(C)C ZINC001082575347 994998212 /nfs/dbraw/zinc/99/82/12/994998212.db2.gz ZJSIAFSWGGVXBK-BSIFCXSSSA-N 1 3 368.525 2.758 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086695640 995155960 /nfs/dbraw/zinc/15/59/60/995155960.db2.gz ZQBNPMIHHWVBAO-SXLOBPIMSA-N 1 3 358.530 2.637 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3scnc3C)C2)C1 ZINC001082698560 995293091 /nfs/dbraw/zinc/29/30/91/995293091.db2.gz OAEPXGRONNRGQK-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3scnc3C)C2)C1 ZINC001082698560 995293099 /nfs/dbraw/zinc/29/30/99/995293099.db2.gz OAEPXGRONNRGQK-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(C)ns3)C2)C1 ZINC001082698692 995294958 /nfs/dbraw/zinc/29/49/58/995294958.db2.gz VVMAJEJZCHRBOR-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(C)ns3)C2)C1 ZINC001082698692 995294965 /nfs/dbraw/zinc/29/49/65/995294965.db2.gz VVMAJEJZCHRBOR-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1)N(C)C ZINC001082747481 995303316 /nfs/dbraw/zinc/30/33/16/995303316.db2.gz VTOVOLALGIWUPY-JLZZUVOBSA-N 1 3 355.885 2.756 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2OC)C1)N(C)C ZINC001082748211 995303853 /nfs/dbraw/zinc/30/38/53/995303853.db2.gz AGBIFHJEMFWTGL-XYPHTWIQSA-N 1 3 367.921 2.625 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1)N(C)C ZINC001082748678 995336040 /nfs/dbraw/zinc/33/60/40/995336040.db2.gz WSVQBTORBQMQFD-XYPHTWIQSA-N 1 3 353.457 2.901 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC1CCCC1 ZINC001082743438 995402110 /nfs/dbraw/zinc/40/21/10/995402110.db2.gz ZZKQVALWARFXTQ-WRWLIDTKSA-N 1 3 353.526 2.826 20 0 FFADHO c1ccc(-c2ncc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)cn2)cc1 ZINC000903507390 1015944411 /nfs/dbraw/zinc/94/44/11/1015944411.db2.gz XTXDZYNJULYSKT-OYRHEFFESA-N 1 3 363.509 2.544 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001082766602 995450563 /nfs/dbraw/zinc/45/05/63/995450563.db2.gz JYZIZLMERIYAFA-NXOUGTEYSA-N 1 3 358.873 2.730 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001082943332 995881880 /nfs/dbraw/zinc/88/18/80/995881880.db2.gz DUTPPDJVUFBHJU-AHRSYUTCSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084422040 996521524 /nfs/dbraw/zinc/52/15/24/996521524.db2.gz JKINJEGMAXCFKG-QHAWAJNXSA-N 1 3 355.526 2.902 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422040 996521530 /nfs/dbraw/zinc/52/15/30/996521530.db2.gz JKINJEGMAXCFKG-QHAWAJNXSA-N 1 3 355.526 2.902 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084598897 996704311 /nfs/dbraw/zinc/70/43/11/996704311.db2.gz KPQYVEYUKHFJFI-YPAWHYETSA-N 1 3 369.553 2.884 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084598897 996704313 /nfs/dbraw/zinc/70/43/13/996704313.db2.gz KPQYVEYUKHFJFI-YPAWHYETSA-N 1 3 369.553 2.884 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001084775291 997305682 /nfs/dbraw/zinc/30/56/82/997305682.db2.gz ACQRDIGLNFYUOU-VLCRHTCISA-N 1 3 367.537 2.939 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001084775291 997305694 /nfs/dbraw/zinc/30/56/94/997305694.db2.gz ACQRDIGLNFYUOU-VLCRHTCISA-N 1 3 367.537 2.939 20 0 FFADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000844164339 997690534 /nfs/dbraw/zinc/69/05/34/997690534.db2.gz ZJIPWSKTHXKSRQ-FQEVSTJZSA-N 1 3 364.493 2.732 20 0 FFADHO c1cc2c(c([C@@H]3CCCN3C[C@H]3CC4(CO3)CC[NH2+]CC4)c1)OCCO2 ZINC000903726771 1016157433 /nfs/dbraw/zinc/15/74/33/1016157433.db2.gz OOMVSQVBPOYJSP-AEFFLSMTSA-N 1 3 358.482 2.753 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC[N@@H+]1C ZINC001084944730 998246602 /nfs/dbraw/zinc/24/66/02/998246602.db2.gz JKOBYLZRAOHBMJ-HCXYKTFWSA-N 1 3 361.555 2.901 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC[N@H+]1C ZINC001084944730 998246614 /nfs/dbraw/zinc/24/66/14/998246614.db2.gz JKOBYLZRAOHBMJ-HCXYKTFWSA-N 1 3 361.555 2.901 20 0 FFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001084941558 998248078 /nfs/dbraw/zinc/24/80/78/998248078.db2.gz PHVDWIBKUXKFER-NRSPTQNISA-N 1 3 371.500 2.590 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001084953417 998302942 /nfs/dbraw/zinc/30/29/42/998302942.db2.gz KHZHHAOGJHLZEQ-KURKYZTESA-N 1 3 369.500 2.829 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001084953417 998302954 /nfs/dbraw/zinc/30/29/54/998302954.db2.gz KHZHHAOGJHLZEQ-KURKYZTESA-N 1 3 369.500 2.829 20 0 FFADHO CN(Cc1ccccc1)C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793963 1016203480 /nfs/dbraw/zinc/20/34/80/1016203480.db2.gz LAXGKGLJFVEETC-UHFFFAOYSA-N 1 3 351.494 2.638 20 0 FFADHO CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273247914 998461983 /nfs/dbraw/zinc/46/19/83/998461983.db2.gz AXXVWTIVBNOMCC-WIYYLYMNSA-N 1 3 358.530 2.561 20 0 FFADHO CC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273247914 998461990 /nfs/dbraw/zinc/46/19/90/998461990.db2.gz AXXVWTIVBNOMCC-WIYYLYMNSA-N 1 3 358.530 2.561 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067009 998832366 /nfs/dbraw/zinc/83/23/66/998832366.db2.gz GRQKHXXUXMHSLL-QRQLOZEOSA-N 1 3 353.526 2.778 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](c3nc4ccccc4o3)C2)cnn1C ZINC000903879690 1016282703 /nfs/dbraw/zinc/28/27/03/1016282703.db2.gz HJUMUAXKSNXEEA-IRXDYDNUSA-N 1 3 367.497 2.867 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(OCCc3ccccc3)CC2)cnn1C ZINC000903887303 1016289106 /nfs/dbraw/zinc/28/91/06/1016289106.db2.gz YKTYGTCDFXMJEA-HXUWFJFHSA-N 1 3 370.541 2.570 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001085217679 999184637 /nfs/dbraw/zinc/18/46/37/999184637.db2.gz LOAZTDPWTKQRDD-GUDVDZBRSA-N 1 3 362.493 2.612 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC001085217763 999185439 /nfs/dbraw/zinc/18/54/39/999185439.db2.gz PKIKAJUZACYVOY-BRWVUGGUSA-N 1 3 364.559 2.843 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085224631 999194151 /nfs/dbraw/zinc/19/41/51/999194151.db2.gz NRBJQIMXZISDLV-CGTJXYLNSA-N 1 3 364.559 2.638 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085224631 999194153 /nfs/dbraw/zinc/19/41/53/999194153.db2.gz NRBJQIMXZISDLV-CGTJXYLNSA-N 1 3 364.559 2.638 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000735653897 999465408 /nfs/dbraw/zinc/46/54/08/999465408.db2.gz WRCYHJZIHHHTAT-WOJBJXKFSA-N 1 3 366.594 2.516 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000743359143 999813722 /nfs/dbraw/zinc/81/37/22/999813722.db2.gz SBNHRGPPXZTYCY-GOSISDBHSA-N 1 3 373.545 2.680 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000743359143 999813724 /nfs/dbraw/zinc/81/37/24/999813724.db2.gz SBNHRGPPXZTYCY-GOSISDBHSA-N 1 3 373.545 2.680 20 0 FFADHO C[N@@H+](Cc1ccc(OCC(N)=O)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743872886 999834897 /nfs/dbraw/zinc/83/48/97/999834897.db2.gz DRQNMCNNXDWLQV-HXUWFJFHSA-N 1 3 367.493 2.505 20 0 FFADHO C[N@H+](Cc1ccc(OCC(N)=O)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743872886 999834899 /nfs/dbraw/zinc/83/48/99/999834899.db2.gz DRQNMCNNXDWLQV-HXUWFJFHSA-N 1 3 367.493 2.505 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](c3nc4c(s3)CCC4)C2)cnn1C ZINC000903987583 1016362186 /nfs/dbraw/zinc/36/21/86/1016362186.db2.gz HMJLSLSIMJNLMC-HOTGVXAUSA-N 1 3 373.570 2.671 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCOC1 ZINC001096609844 1016364074 /nfs/dbraw/zinc/36/40/74/1016364074.db2.gz XKADKGJQELOMEA-LMQGHGSNSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCOC1 ZINC001096609844 1016364084 /nfs/dbraw/zinc/36/40/84/1016364084.db2.gz XKADKGJQELOMEA-LMQGHGSNSA-N 1 3 371.525 2.510 20 0 FFADHO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000745948942 999937806 /nfs/dbraw/zinc/93/78/06/999937806.db2.gz ZRBGMPFFSHPYOM-MJGOQNOKSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000745948942 999937808 /nfs/dbraw/zinc/93/78/08/999937808.db2.gz ZRBGMPFFSHPYOM-MJGOQNOKSA-N 1 3 358.530 2.887 20 0 FFADHO COc1cc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)cc(Br)c1O ZINC001205995557 1000007571 /nfs/dbraw/zinc/00/75/71/1000007571.db2.gz PBXDUMYWYWNIGF-DGCLKSJQSA-N 1 3 357.292 2.970 20 0 FFADHO COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(Br)c1[O-] ZINC001205995557 1000007572 /nfs/dbraw/zinc/00/75/72/1000007572.db2.gz PBXDUMYWYWNIGF-DGCLKSJQSA-N 1 3 357.292 2.970 20 0 FFADHO COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(Br)c1[O-] ZINC001205995557 1000007574 /nfs/dbraw/zinc/00/75/74/1000007574.db2.gz PBXDUMYWYWNIGF-DGCLKSJQSA-N 1 3 357.292 2.970 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCN(c3ncnc4ccccc43)C1)C2 ZINC001169117933 1000022550 /nfs/dbraw/zinc/02/25/50/1000022550.db2.gz BPYBJFKTCDNVBD-XLAORIBOSA-N 1 3 351.498 2.813 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCN(c3ncnc4ccccc43)C1)C2 ZINC001169117933 1000022552 /nfs/dbraw/zinc/02/25/52/1000022552.db2.gz BPYBJFKTCDNVBD-XLAORIBOSA-N 1 3 351.498 2.813 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)NC(=O)C[C@H]3c1ccccc1)C2 ZINC001169135067 1000024117 /nfs/dbraw/zinc/02/41/17/1000024117.db2.gz XSWMWIVFAIXNAJ-YRPNKDGESA-N 1 3 353.510 2.750 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)NC(=O)C[C@H]3c1ccccc1)C2 ZINC001169135067 1000024118 /nfs/dbraw/zinc/02/41/18/1000024118.db2.gz XSWMWIVFAIXNAJ-YRPNKDGESA-N 1 3 353.510 2.750 20 0 FFADHO CC(C)N1CCN(CC[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169280047 1000036598 /nfs/dbraw/zinc/03/65/98/1000036598.db2.gz KGWKTGHBQHTHAM-UHFFFAOYSA-N 1 3 373.541 2.770 20 0 FFADHO CC[NH+]1CCC(Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC1 ZINC000846049362 1000197230 /nfs/dbraw/zinc/19/72/30/1000197230.db2.gz DLLZLJKUDDBZSQ-UHFFFAOYSA-N 1 3 360.546 2.599 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CCN2CCCC2=O)cc1CN1CCCCC1 ZINC000846206007 1000220345 /nfs/dbraw/zinc/22/03/45/1000220345.db2.gz NPGJYTOFCFVTEB-QGZVFWFLSA-N 1 3 359.514 2.954 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1)[NH+](C)C ZINC001109427993 1000439397 /nfs/dbraw/zinc/43/93/97/1000439397.db2.gz HCAQGHUGFFCLFQ-XWSJACJDSA-N 1 3 363.571 2.988 20 0 FFADHO CC[NH+]1CCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001146787402 1000764654 /nfs/dbraw/zinc/76/46/54/1000764654.db2.gz SRUYTJRMDSOILJ-UHFFFAOYSA-N 1 3 357.542 2.789 20 0 FFADHO CC(=O)N1CCC(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000770352553 1000765340 /nfs/dbraw/zinc/76/53/40/1000765340.db2.gz OYKMCDIJDYDOIX-RBBKRZOGSA-N 1 3 355.526 2.984 20 0 FFADHO CC(=O)N1CCC(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000770352553 1000765343 /nfs/dbraw/zinc/76/53/43/1000765343.db2.gz OYKMCDIJDYDOIX-RBBKRZOGSA-N 1 3 355.526 2.984 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@H]2CCCC2(F)F)CC1 ZINC001109651255 1000783183 /nfs/dbraw/zinc/78/31/83/1000783183.db2.gz QYHJTQLMLCBNHT-NCOADZHNSA-N 1 3 369.500 2.875 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[NH+](CC)CC ZINC001109714640 1000897372 /nfs/dbraw/zinc/89/73/72/1000897372.db2.gz RAXXEXQTVDIHNI-TWMKSMIVSA-N 1 3 357.489 2.874 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091759010 1001229784 /nfs/dbraw/zinc/22/97/84/1001229784.db2.gz WECZJFDURVMPLQ-URVUXULASA-N 1 3 357.542 2.596 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091759010 1001229786 /nfs/dbraw/zinc/22/97/86/1001229786.db2.gz WECZJFDURVMPLQ-URVUXULASA-N 1 3 357.542 2.596 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1 ZINC001112586081 1001538417 /nfs/dbraw/zinc/53/84/17/1001538417.db2.gz GMCSWOMYUXJHCL-UNMCSNQZSA-N 1 3 357.542 2.788 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087089169 1001765500 /nfs/dbraw/zinc/76/55/00/1001765500.db2.gz DFGHWWRXQDKYGL-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CNC(=O)[C@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182470697 1001926405 /nfs/dbraw/zinc/92/64/05/1001926405.db2.gz QMVBJBQSSVINKZ-UGKGYDQZSA-N 1 3 357.542 2.993 20 0 FFADHO CNC(=O)[C@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182470697 1001926412 /nfs/dbraw/zinc/92/64/12/1001926412.db2.gz QMVBJBQSSVINKZ-UGKGYDQZSA-N 1 3 357.542 2.993 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091985514 1002178658 /nfs/dbraw/zinc/17/86/58/1002178658.db2.gz WECZJFDURVMPLQ-SJBKTWHCSA-N 1 3 357.542 2.596 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091985514 1002178663 /nfs/dbraw/zinc/17/86/63/1002178663.db2.gz WECZJFDURVMPLQ-SJBKTWHCSA-N 1 3 357.542 2.596 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1)N(C)C ZINC001183363231 1002240367 /nfs/dbraw/zinc/24/03/67/1002240367.db2.gz UXEWLCPLKMGYEK-OYNPSCLESA-N 1 3 372.557 2.727 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1)N(C)C ZINC001183363231 1002240375 /nfs/dbraw/zinc/24/03/75/1002240375.db2.gz UXEWLCPLKMGYEK-OYNPSCLESA-N 1 3 372.557 2.727 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC001092071075 1002365985 /nfs/dbraw/zinc/36/59/85/1002365985.db2.gz FVBNNCNXDFDREY-COGMZLJESA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049437 1002397689 /nfs/dbraw/zinc/39/76/89/1002397689.db2.gz FCRYWQUYQVDBFO-QFUCXCTJSA-N 1 3 352.482 2.884 20 0 FFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049437 1002397701 /nfs/dbraw/zinc/39/77/01/1002397701.db2.gz FCRYWQUYQVDBFO-QFUCXCTJSA-N 1 3 352.482 2.884 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086589383 1002439969 /nfs/dbraw/zinc/43/99/69/1002439969.db2.gz XKWLXYWIFAVQTA-AYWYSENESA-N 1 3 355.526 2.877 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086589383 1002439975 /nfs/dbraw/zinc/43/99/75/1002439975.db2.gz XKWLXYWIFAVQTA-AYWYSENESA-N 1 3 355.526 2.877 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H](C)C2)sn1 ZINC001092602804 1003208362 /nfs/dbraw/zinc/20/83/62/1003208362.db2.gz OTHDKLDCCUJQJH-KYJSFNMBSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H](C)C2)sn1 ZINC001092602804 1003208366 /nfs/dbraw/zinc/20/83/66/1003208366.db2.gz OTHDKLDCCUJQJH-KYJSFNMBSA-N 1 3 364.559 2.508 20 0 FFADHO O=C(CN1CCCC1)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC001086623669 1003713476 /nfs/dbraw/zinc/71/34/76/1003713476.db2.gz QBYILIKSFLNBHK-DLBZAZTESA-N 1 3 369.431 2.619 20 0 FFADHO O=C(C[NH+]1CCCC1)N[C@@H]1CN(CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC001086623669 1003713482 /nfs/dbraw/zinc/71/34/82/1003713482.db2.gz QBYILIKSFLNBHK-DLBZAZTESA-N 1 3 369.431 2.619 20 0 FFADHO CCN(CC)CC(=O)N1CCC[C@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC001273854553 1005126422 /nfs/dbraw/zinc/12/64/22/1005126422.db2.gz CZVCNJDRIJLYLJ-LJQANCHMSA-N 1 3 364.559 2.608 20 0 FFADHO CCN(CC)CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001273854553 1005126424 /nfs/dbraw/zinc/12/64/24/1005126424.db2.gz CZVCNJDRIJLYLJ-LJQANCHMSA-N 1 3 364.559 2.608 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1CCc1scnc1C ZINC001489140079 1005422055 /nfs/dbraw/zinc/42/20/55/1005422055.db2.gz DEAZHLNTSQCCCY-JZXOWHBKSA-N 1 3 366.575 2.549 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1CCc1scnc1C ZINC001489140079 1005422056 /nfs/dbraw/zinc/42/20/56/1005422056.db2.gz DEAZHLNTSQCCCY-JZXOWHBKSA-N 1 3 366.575 2.549 20 0 FFADHO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000850563680 1005822701 /nfs/dbraw/zinc/82/27/01/1005822701.db2.gz ZUICUNNHNZLUDM-SESVDKBCSA-N 1 3 370.541 2.777 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001086712129 1005959071 /nfs/dbraw/zinc/95/90/71/1005959071.db2.gz QNUNLHNYLRVONG-XUVXKRRUSA-N 1 3 365.562 2.552 20 0 FFADHO COc1cc(N(C(=O)c2ccc(CN(C)C)cc2)C2CC[NH2+]CC2)ccn1 ZINC001187293665 1005995859 /nfs/dbraw/zinc/99/58/59/1005995859.db2.gz NVVPMOWRKRLETL-UHFFFAOYSA-N 1 3 368.481 2.551 20 0 FFADHO CN(C)Cc1ccc(C(=O)N(c2ccncc2F)C2CC[NH2+]CC2)cc1 ZINC001187293248 1006004773 /nfs/dbraw/zinc/00/47/73/1006004773.db2.gz ALFJTXZCKUEMDQ-UHFFFAOYSA-N 1 3 356.445 2.681 20 0 FFADHO C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000853241494 1006347834 /nfs/dbraw/zinc/34/78/34/1006347834.db2.gz WCVUIBLKVGORHF-WWPVKYPJSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000853241494 1006347845 /nfs/dbraw/zinc/34/78/45/1006347845.db2.gz WCVUIBLKVGORHF-WWPVKYPJSA-N 1 3 371.569 2.988 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1 ZINC000854231873 1006734641 /nfs/dbraw/zinc/73/46/41/1006734641.db2.gz JTBJQEZAMLNTHM-IBGZPJMESA-N 1 3 373.545 2.823 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)cc2)CC1 ZINC000854231873 1006734653 /nfs/dbraw/zinc/73/46/53/1006734653.db2.gz JTBJQEZAMLNTHM-IBGZPJMESA-N 1 3 373.545 2.823 20 0 FFADHO CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001189134676 1006921873 /nfs/dbraw/zinc/92/18/73/1006921873.db2.gz CJDDFRKDPWFJMA-QKLQHJQFSA-N 1 3 353.526 2.922 20 0 FFADHO CCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001189134676 1006921886 /nfs/dbraw/zinc/92/18/86/1006921886.db2.gz CJDDFRKDPWFJMA-QKLQHJQFSA-N 1 3 353.526 2.922 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCc3ccccc3Cl)C[C@H]21 ZINC001189668793 1007199680 /nfs/dbraw/zinc/19/96/80/1007199680.db2.gz OYKHQJUGBFTEPA-PKOBYXMFSA-N 1 3 363.933 2.757 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCc3ccccc3Cl)C[C@H]21 ZINC001189668793 1007199687 /nfs/dbraw/zinc/19/96/87/1007199687.db2.gz OYKHQJUGBFTEPA-PKOBYXMFSA-N 1 3 363.933 2.757 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000817928778 1007799177 /nfs/dbraw/zinc/79/91/77/1007799177.db2.gz ANLUZMPOTJTGPW-CKDIWJPDSA-N 1 3 352.482 2.719 20 0 FFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000817971635 1007834817 /nfs/dbraw/zinc/83/48/17/1007834817.db2.gz FZNNGKZWAAZCJR-FUHWJXTLSA-N 1 3 371.447 2.888 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCC3OCCCO3)C2)ccn1 ZINC000856600689 1007910907 /nfs/dbraw/zinc/91/09/07/1007910907.db2.gz WCEAISXBTLNGMT-IBGZPJMESA-N 1 3 363.502 2.528 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCC3OCCCO3)C2)ccn1 ZINC000856600689 1007910912 /nfs/dbraw/zinc/91/09/12/1007910912.db2.gz WCEAISXBTLNGMT-IBGZPJMESA-N 1 3 363.502 2.528 20 0 FFADHO O[C@@H](C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000818965311 1007981498 /nfs/dbraw/zinc/98/14/98/1007981498.db2.gz SJYAVZUCGJFGJE-QHCPKHFHSA-N 1 3 367.537 2.908 20 0 FFADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819059455 1008022606 /nfs/dbraw/zinc/02/26/06/1008022606.db2.gz CBWRJADVJGCGPE-QZTJIDSGSA-N 1 3 372.431 2.972 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1cccc(F)c1 ZINC000819372173 1008125072 /nfs/dbraw/zinc/12/50/72/1008125072.db2.gz WSESRJZYKOYIKZ-BAGYTPMASA-N 1 3 372.484 2.986 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1cccc(F)c1 ZINC000819372173 1008125076 /nfs/dbraw/zinc/12/50/76/1008125076.db2.gz WSESRJZYKOYIKZ-BAGYTPMASA-N 1 3 372.484 2.986 20 0 FFADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000820823716 1008376181 /nfs/dbraw/zinc/37/61/81/1008376181.db2.gz OPQRLVKKHCKTBN-NJVDNQLDSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000820823716 1008376185 /nfs/dbraw/zinc/37/61/85/1008376185.db2.gz OPQRLVKKHCKTBN-NJVDNQLDSA-N 1 3 357.542 2.881 20 0 FFADHO CCNC(=O)C1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1 ZINC000886598538 1008765932 /nfs/dbraw/zinc/76/59/32/1008765932.db2.gz CTYZBSZMDIIASQ-ZCNNSNEGSA-N 1 3 355.526 2.936 20 0 FFADHO CC(C)N(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000823561917 1009129643 /nfs/dbraw/zinc/12/96/43/1009129643.db2.gz PHHVIABTVYRZGQ-HXUWFJFHSA-N 1 3 373.541 2.609 20 0 FFADHO CN1CC2(C1)CCN(C(=O)CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001274202262 1009590724 /nfs/dbraw/zinc/59/07/24/1009590724.db2.gz CJZGLWPQCLYWGZ-UHFFFAOYSA-N 1 3 355.526 2.843 20 0 FFADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC001180221238 1009598729 /nfs/dbraw/zinc/59/87/29/1009598729.db2.gz GDTICPNKYCKISS-OAQYLSRUSA-N 1 3 374.529 2.518 20 0 FFADHO C[C@@H](NCC1(C[NH+](C)C)CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862326778 1009792195 /nfs/dbraw/zinc/79/21/95/1009792195.db2.gz UGPKSFUUXYJFFB-IAGOWNOFSA-N 1 3 369.550 2.722 20 0 FFADHO C[NH+](C)Cc1ccc(CN2CCC[C@](C)(O)CC2)c2c1OC(F)(F)O2 ZINC001181409822 1010100000 /nfs/dbraw/zinc/10/00/00/1010100000.db2.gz FKROVANTKQJCJL-KRWDZBQOSA-N 1 3 356.413 2.807 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@H](C)C2)o1 ZINC001093222947 1010164282 /nfs/dbraw/zinc/16/42/82/1010164282.db2.gz SYHXDCDPQORSCT-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001093821190 1010591836 /nfs/dbraw/zinc/59/18/36/1010591836.db2.gz UTPXEXQJUBWYKN-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001093824217 1010595766 /nfs/dbraw/zinc/59/57/66/1010595766.db2.gz KXEBOZAYBLCODM-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc4cc[nH]c4c3)[C@H](C)C2)C1 ZINC001094042484 1010804271 /nfs/dbraw/zinc/80/42/71/1010804271.db2.gz VCSXEBRBXJPDEA-MBOZVWFJSA-N 1 3 368.525 2.694 20 0 FFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001094074776 1010833273 /nfs/dbraw/zinc/83/32/73/1010833273.db2.gz KWZOKWKNCIDCGQ-VQIMIIECSA-N 1 3 354.498 2.960 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088199 1010847496 /nfs/dbraw/zinc/84/74/96/1010847496.db2.gz HCABOOISTQUZHY-IXDOHACOSA-N 1 3 364.559 2.592 20 0 FFADHO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000866031625 1010911874 /nfs/dbraw/zinc/91/18/74/1010911874.db2.gz GJDBDLWXGGOIAG-UHFFFAOYSA-N 1 3 362.518 2.570 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)CC2)CC1 ZINC000868171879 1011190034 /nfs/dbraw/zinc/19/00/34/1011190034.db2.gz VTHVRKHOIUUUSK-IBGZPJMESA-N 1 3 372.513 2.687 20 0 FFADHO C[NH+]1CCC(C)(C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)CC1 ZINC001274401490 1011424245 /nfs/dbraw/zinc/42/42/45/1011424245.db2.gz RCBQUXWLVRLTPG-UHFFFAOYSA-N 1 3 361.452 2.595 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172081186 1011616578 /nfs/dbraw/zinc/61/65/78/1011616578.db2.gz AWYZRAIQUILNTF-WOZUAGRISA-N 1 3 372.509 2.836 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172081186 1011616591 /nfs/dbraw/zinc/61/65/91/1011616591.db2.gz AWYZRAIQUILNTF-WOZUAGRISA-N 1 3 372.509 2.836 20 0 FFADHO COCCOc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172132588 1011635265 /nfs/dbraw/zinc/63/52/65/1011635265.db2.gz LZCBHJZNUKZAMX-ACDBMABISA-N 1 3 373.541 2.849 20 0 FFADHO COCCC[NH+]1CCC(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001172244813 1011718465 /nfs/dbraw/zinc/71/84/65/1011718465.db2.gz ZSRZTBRHOQZHFC-GOSISDBHSA-N 1 3 369.550 2.867 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000646194986 1011793240 /nfs/dbraw/zinc/79/32/40/1011793240.db2.gz QHJVWIMYCYBKNS-IBGZPJMESA-N 1 3 372.538 2.969 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CNCc2ccccc21 ZINC000646254483 1011820205 /nfs/dbraw/zinc/82/02/05/1011820205.db2.gz URMQSIUUIOVKIH-SFHVURJKSA-N 1 3 373.447 2.742 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)CC[NH+](CC)CC)C[C@H](C1)O2 ZINC001275053834 1011861227 /nfs/dbraw/zinc/86/12/27/1011861227.db2.gz QYLMDDNPWOUQQH-SLFFLAALSA-N 1 3 367.578 2.846 20 0 FFADHO Cc1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542054 1012020755 /nfs/dbraw/zinc/02/07/55/1012020755.db2.gz BVOXKHLRAJMZOP-HXUWFJFHSA-N 1 3 370.541 2.854 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CCN(C)C)C3=O)o1 ZINC001275193039 1012057188 /nfs/dbraw/zinc/05/71/88/1012057188.db2.gz BGGPBXWRLBVAFJ-NRFANRHFSA-N 1 3 353.466 2.640 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CCN(C)C)C3=O)o1 ZINC001275193039 1012057204 /nfs/dbraw/zinc/05/72/04/1012057204.db2.gz BGGPBXWRLBVAFJ-NRFANRHFSA-N 1 3 353.466 2.640 20 0 FFADHO CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)C1 ZINC001172942398 1012118242 /nfs/dbraw/zinc/11/82/42/1012118242.db2.gz OYWFNEXEXXIQFU-NHCUHLMSSA-N 1 3 373.541 2.954 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3)C2)C1=O ZINC001275286648 1012208917 /nfs/dbraw/zinc/20/89/17/1012208917.db2.gz ANGQIQRMPNEFGP-GOSISDBHSA-N 1 3 370.324 2.979 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646927540 1012281652 /nfs/dbraw/zinc/28/16/52/1012281652.db2.gz MWRADKLWPLZUAV-HBFSDRIKSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646927540 1012281667 /nfs/dbraw/zinc/28/16/67/1012281667.db2.gz MWRADKLWPLZUAV-HBFSDRIKSA-N 1 3 371.525 2.716 20 0 FFADHO CC[C@@H]1CN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647011299 1012334207 /nfs/dbraw/zinc/33/42/07/1012334207.db2.gz CGRMQINXESZXQH-UIFIKXQLSA-N 1 3 357.542 2.915 20 0 FFADHO C[C@H](CN)C[N@H+](C)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173389339 1012523670 /nfs/dbraw/zinc/52/36/70/1012523670.db2.gz JMZIHXUPWCYVLO-CYBMUJFWSA-N 1 3 368.319 2.580 20 0 FFADHO C[C@H](CN)C[N@@H+](C)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173389339 1012523683 /nfs/dbraw/zinc/52/36/83/1012523683.db2.gz JMZIHXUPWCYVLO-CYBMUJFWSA-N 1 3 368.319 2.580 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908494 1012629370 /nfs/dbraw/zinc/62/93/70/1012629370.db2.gz NCWARSPGLWOTOB-RYRKJORJSA-N 1 3 369.431 2.723 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N[C@@H]1CCCc2ccccc21 ZINC000647975184 1012651705 /nfs/dbraw/zinc/65/17/05/1012651705.db2.gz PBCXDRUBCDKLQX-SVFBPWRDSA-N 1 3 355.526 2.892 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978611 1012654819 /nfs/dbraw/zinc/65/48/19/1012654819.db2.gz VOVUXWJLIVLZEQ-WOJBJXKFSA-N 1 3 373.541 2.803 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cccc(Cl)c3Cl)C2)C1=O ZINC001275655056 1012765110 /nfs/dbraw/zinc/76/51/10/1012765110.db2.gz YGFGHDOHDAYMCX-SFHVURJKSA-N 1 3 370.324 2.979 20 0 FFADHO [NH3+]C1(c2cccc(Cl)c2)CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173740084 1012932213 /nfs/dbraw/zinc/93/22/13/1012932213.db2.gz ILYBVFLAWFAUFD-IAGOWNOFSA-N 1 3 360.893 2.760 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1=O ZINC001275761791 1012971503 /nfs/dbraw/zinc/97/15/03/1012971503.db2.gz QBKGKSDTJBZFMJ-FQEVSTJZSA-N 1 3 363.933 2.759 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1=O ZINC001275761791 1012971513 /nfs/dbraw/zinc/97/15/13/1012971513.db2.gz QBKGKSDTJBZFMJ-FQEVSTJZSA-N 1 3 363.933 2.759 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001097177424 1017149487 /nfs/dbraw/zinc/14/94/87/1017149487.db2.gz RIFDSXPTAZRJNN-YSHGAJCASA-N 1 3 361.555 2.887 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001097177424 1017149493 /nfs/dbraw/zinc/14/94/93/1017149493.db2.gz RIFDSXPTAZRJNN-YSHGAJCASA-N 1 3 361.555 2.887 20 0 FFADHO Cc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)n1 ZINC000678590980 1017376100 /nfs/dbraw/zinc/37/61/00/1017376100.db2.gz DPHDZUFBDOJULH-MRXNPFEDSA-N 1 3 354.498 2.841 20 0 FFADHO C[C@H](CN1CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924675621 1017411352 /nfs/dbraw/zinc/41/13/52/1017411352.db2.gz SOBHHYQFIIDBRR-VEEZFSHISA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H](CN1CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924675621 1017411360 /nfs/dbraw/zinc/41/13/60/1017411360.db2.gz SOBHHYQFIIDBRR-VEEZFSHISA-N 1 3 357.542 2.882 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC4(C3)CO[C@H](C)C4)cc2)CC1 ZINC000924693257 1017423871 /nfs/dbraw/zinc/42/38/71/1017423871.db2.gz WMUMLXZANOPFJD-OSFYOIPJSA-N 1 3 357.542 2.871 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000924724065 1017449223 /nfs/dbraw/zinc/44/92/23/1017449223.db2.gz WNJNSHGRFOLBDP-YADHBBJMSA-N 1 3 357.542 2.729 20 0 FFADHO COc1cc([C@H](C)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)on1 ZINC000924979210 1017571724 /nfs/dbraw/zinc/57/17/24/1017571724.db2.gz MQPDNOKSTMHDSC-YJBOKZPZSA-N 1 3 359.470 2.779 20 0 FFADHO C[C@@H]1CC2(CC([NH2+]Cc3ccc(C(=O)NCCN4CCCC4)cc3)C2)CO1 ZINC000925437974 1017740640 /nfs/dbraw/zinc/74/06/40/1017740640.db2.gz IASGAAQARGIHMW-FEPNQTLGSA-N 1 3 371.525 2.559 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)C[C@@H](C)O1 ZINC000925586081 1017795635 /nfs/dbraw/zinc/79/56/35/1017795635.db2.gz SGHBFQBSJIYGOU-YAJHFMINSA-N 1 3 373.541 2.932 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CN1Cc1ccccc1 ZINC000925629434 1017802101 /nfs/dbraw/zinc/80/21/01/1017802101.db2.gz LZNXHVFPOAUGHI-HLAWJBBLSA-N 1 3 355.526 2.793 20 0 FFADHO CCc1nc(CN2CCC[C@@H]([NH2+]C3CCN(CCC(C)C)CC3)C2)no1 ZINC000925704448 1017820130 /nfs/dbraw/zinc/82/01/30/1017820130.db2.gz HDOIRTLPXLQSKP-GOSISDBHSA-N 1 3 363.550 2.697 20 0 FFADHO CCc1nc(CN2CCC[C@@H](NC3CC[NH+](CCC(C)C)CC3)C2)no1 ZINC000925704448 1017820149 /nfs/dbraw/zinc/82/01/49/1017820149.db2.gz HDOIRTLPXLQSKP-GOSISDBHSA-N 1 3 363.550 2.697 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000680308266 1017916089 /nfs/dbraw/zinc/91/60/89/1017916089.db2.gz JGUBJHKMFZXXJI-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000680308266 1017916103 /nfs/dbraw/zinc/91/61/03/1017916103.db2.gz JGUBJHKMFZXXJI-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)C1 ZINC001097853846 1018032888 /nfs/dbraw/zinc/03/28/88/1018032888.db2.gz PWYKBZDJNIPJHF-WWNBULGVSA-N 1 3 351.510 2.721 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC2)C1 ZINC001097853846 1018032895 /nfs/dbraw/zinc/03/28/95/1018032895.db2.gz PWYKBZDJNIPJHF-WWNBULGVSA-N 1 3 351.510 2.721 20 0 FFADHO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000927144715 1018381113 /nfs/dbraw/zinc/38/11/13/1018381113.db2.gz IMOIXFVZYQLBAU-YSTOQKLRSA-N 1 3 365.525 2.563 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](C[C@H]2CCOC2)C1)c1ccccc1 ZINC000681219412 1018419538 /nfs/dbraw/zinc/41/95/38/1018419538.db2.gz VVZOXHSBNYDJQB-SFHLNBCPSA-N 1 3 373.541 2.544 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954274 1019183251 /nfs/dbraw/zinc/18/32/51/1019183251.db2.gz NRUUSBWJFWWAJQ-AQNXPRMDSA-N 1 3 355.526 2.812 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2cccc(F)c2)CC1 ZINC001110954476 1019185789 /nfs/dbraw/zinc/18/57/89/1019185789.db2.gz QVRPTUSGCHQWOD-AQNXPRMDSA-N 1 3 373.516 2.822 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCc3ccccc32)CC1 ZINC001110956634 1019227651 /nfs/dbraw/zinc/22/76/51/1019227651.db2.gz QZYOXFDMBBBTBW-AFYVEPGGSA-N 1 3 353.510 2.737 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095962960 1019615072 /nfs/dbraw/zinc/61/50/72/1019615072.db2.gz NYCDTUAVXOQRFZ-HKBOAZHASA-N 1 3 355.526 2.812 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)CC1 ZINC001095964744 1019620011 /nfs/dbraw/zinc/62/00/11/1019620011.db2.gz AGQRKGXHSCBHAV-GIVPXCGWSA-N 1 3 366.509 2.731 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1 ZINC001095964747 1019621810 /nfs/dbraw/zinc/62/18/10/1019621810.db2.gz AOBRPDCKIOELOC-HKBOAZHASA-N 1 3 355.526 2.812 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4CCC5(COC5)O4)CC[C@@H]32)cc1 ZINC000929849357 1019691143 /nfs/dbraw/zinc/69/11/43/1019691143.db2.gz XLVOPBKRSVUNIX-HKBOAZHASA-N 1 3 356.510 2.921 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4CCC5(COC5)O4)CC[C@@H]32)cc1 ZINC000929849357 1019691145 /nfs/dbraw/zinc/69/11/45/1019691145.db2.gz XLVOPBKRSVUNIX-HKBOAZHASA-N 1 3 356.510 2.921 20 0 FFADHO CCn1cnc(CNCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000902055596 1019766469 /nfs/dbraw/zinc/76/64/69/1019766469.db2.gz UDRJRVDZHSWQMW-UHFFFAOYSA-N 1 3 355.530 2.903 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c(C)c1 ZINC001096350774 1020191800 /nfs/dbraw/zinc/19/18/00/1020191800.db2.gz UMFXSKNTJUDXPJ-NRDMVMEKSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c(C)c1 ZINC001096350774 1020191803 /nfs/dbraw/zinc/19/18/03/1020191803.db2.gz UMFXSKNTJUDXPJ-NRDMVMEKSA-N 1 3 355.526 2.867 20 0 FFADHO NC(=O)COc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000725795887 1020261700 /nfs/dbraw/zinc/26/17/00/1020261700.db2.gz XLLFZPIAZJFGTH-UHFFFAOYSA-N 1 3 359.514 2.639 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)c4occc43)CC2)CC1 ZINC000931217798 1020379121 /nfs/dbraw/zinc/37/91/21/1020379121.db2.gz ZIMOSVSXILIPTO-UHFFFAOYSA-N 1 3 359.445 2.860 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c1C ZINC001098219846 1020740988 /nfs/dbraw/zinc/74/09/88/1020740988.db2.gz VAHMWVVFXMYNCX-AFYVEPGGSA-N 1 3 371.525 2.567 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1C ZINC001098219846 1020740997 /nfs/dbraw/zinc/74/09/97/1020740997.db2.gz VAHMWVVFXMYNCX-AFYVEPGGSA-N 1 3 371.525 2.567 20 0 FFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CCC3(CC2)OCCO3)CC1 ZINC000903373830 1020811081 /nfs/dbraw/zinc/81/10/81/1020811081.db2.gz DOEOATGDAYUICZ-IEBWSBKVSA-N 1 3 366.546 2.667 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)cc1 ZINC001098394974 1020869670 /nfs/dbraw/zinc/86/96/70/1020869670.db2.gz VGLJOMNHHPXLBN-BQJUDKOJSA-N 1 3 355.526 2.812 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001098394974 1020869679 /nfs/dbraw/zinc/86/96/79/1020869679.db2.gz VGLJOMNHHPXLBN-BQJUDKOJSA-N 1 3 355.526 2.812 20 0 FFADHO O=C1NCC[C@]12C[N@H+](Cc1ccc(C3CCCCC3)cc1)CC21CNC1 ZINC001222527638 1033030975 /nfs/dbraw/zinc/03/09/75/1033030975.db2.gz NVTXFCZXWYEPMN-QFIPXVFZSA-N 1 3 353.510 2.646 20 0 FFADHO O=C1NCC[C@]12C[N@@H+](Cc1ccc(C3CCCCC3)cc1)CC21CNC1 ZINC001222527638 1033030985 /nfs/dbraw/zinc/03/09/85/1033030985.db2.gz NVTXFCZXWYEPMN-QFIPXVFZSA-N 1 3 353.510 2.646 20 0 FFADHO CCOC(=O)c1cc(C[NH2+]C2CCN(Cc3ccccc3C)CC2)[nH]n1 ZINC001118265008 1022149411 /nfs/dbraw/zinc/14/94/11/1022149411.db2.gz RBHYHMPYOOGMBN-UHFFFAOYSA-N 1 3 356.470 2.649 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCCCC2)N2CCCC2)cc1 ZINC001118286601 1022160641 /nfs/dbraw/zinc/16/06/41/1022160641.db2.gz HBDTYQXVEJRZNV-VQTJNVASSA-N 1 3 359.514 2.856 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](CC(C)(C)C)C2)C1=O ZINC001276374556 1022561491 /nfs/dbraw/zinc/56/14/91/1022561491.db2.gz QUZNWBVGXPQUBZ-UGKGYDQZSA-N 1 3 357.542 2.912 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@@H+](CC(C)(C)C)C2)C1=O ZINC001276374556 1022561501 /nfs/dbraw/zinc/56/15/01/1022561501.db2.gz QUZNWBVGXPQUBZ-UGKGYDQZSA-N 1 3 357.542 2.912 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001099499540 1022635353 /nfs/dbraw/zinc/63/53/53/1022635353.db2.gz IWOXTHWFWFYJLL-JLMWRMLUSA-N 1 3 361.574 2.983 20 0 FFADHO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001039377337 1022745507 /nfs/dbraw/zinc/74/55/07/1022745507.db2.gz SNMKRPYIZPIBQT-AYWYSENESA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001039377337 1022745513 /nfs/dbraw/zinc/74/55/13/1022745513.db2.gz SNMKRPYIZPIBQT-AYWYSENESA-N 1 3 355.526 2.901 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656835 1033094160 /nfs/dbraw/zinc/09/41/60/1033094160.db2.gz WNCPQGLICALIPT-AABGKKOBSA-N 1 3 365.562 2.599 20 0 FFADHO COCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656835 1033094168 /nfs/dbraw/zinc/09/41/68/1033094168.db2.gz WNCPQGLICALIPT-AABGKKOBSA-N 1 3 365.562 2.599 20 0 FFADHO COC(=O)c1cc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC001119986922 1023195348 /nfs/dbraw/zinc/19/53/48/1023195348.db2.gz IBGINVRBGZJSPR-SQNIBIBYSA-N 1 3 369.465 2.852 20 0 FFADHO COC(=O)c1cc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC001119986922 1023195351 /nfs/dbraw/zinc/19/53/51/1023195351.db2.gz IBGINVRBGZJSPR-SQNIBIBYSA-N 1 3 369.465 2.852 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3cnoc3C)CC2)CC[N@@H+]1C ZINC000948388518 1023249892 /nfs/dbraw/zinc/24/98/92/1023249892.db2.gz HZVONOXEPYUZLN-CEXWTWQISA-N 1 3 362.518 2.526 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3cnoc3C)CC2)CC[N@H+]1C ZINC000948388518 1023249904 /nfs/dbraw/zinc/24/99/04/1023249904.db2.gz HZVONOXEPYUZLN-CEXWTWQISA-N 1 3 362.518 2.526 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1O2 ZINC001120482128 1023337303 /nfs/dbraw/zinc/33/73/03/1023337303.db2.gz WPLNEVXWAFDBBO-ZFWWWQNUSA-N 1 3 358.404 2.878 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC001120508445 1023344121 /nfs/dbraw/zinc/34/41/21/1023344121.db2.gz PRYWPRNATVZXJS-MLGOLLRUSA-N 1 3 359.283 2.943 20 0 FFADHO CN(C(=O)NC1CC2(CC([NH3+])C2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001120584236 1023371144 /nfs/dbraw/zinc/37/11/44/1023371144.db2.gz ALEIBPUDLVZTOF-MBEFBZSESA-N 1 3 356.514 2.562 20 0 FFADHO CN(C(=O)NC1CC2(CC([NH3+])C2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001120584235 1023371174 /nfs/dbraw/zinc/37/11/74/1023371174.db2.gz ALEIBPUDLVZTOF-FCOWATRHSA-N 1 3 356.514 2.562 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)c1C ZINC001111296886 1023637286 /nfs/dbraw/zinc/63/72/86/1023637286.db2.gz ZAXWERWEYGERNV-AQNXPRMDSA-N 1 3 373.541 2.957 20 0 FFADHO Cc1ccc(Oc2ncccc2NC(=O)[C@@H](N)CCC[NH3+])c2c1CCC2 ZINC001218496870 1033183751 /nfs/dbraw/zinc/18/37/51/1033183751.db2.gz JLZJTHBYHUOYJQ-INIZCTEOSA-N 1 3 354.454 2.676 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc2c1OCCNC2 ZINC001122028342 1024272411 /nfs/dbraw/zinc/27/24/11/1024272411.db2.gz PPAODHZNMVUCNQ-UHFFFAOYSA-N 1 3 371.456 2.512 20 0 FFADHO Cc1ccc(N2CCN(CCCN3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000192779303 1024273704 /nfs/dbraw/zinc/27/37/04/1024273704.db2.gz XPLJLDPRHXEDCD-UHFFFAOYSA-N 1 3 358.574 2.842 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1)N1CCCC1 ZINC001101320604 1024445089 /nfs/dbraw/zinc/44/50/89/1024445089.db2.gz QAISUMXGWMISSW-XLIONFOSSA-N 1 3 353.526 2.781 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1)N1CCCC1 ZINC001101320604 1024445090 /nfs/dbraw/zinc/44/50/90/1024445090.db2.gz QAISUMXGWMISSW-XLIONFOSSA-N 1 3 353.526 2.781 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1 ZINC001101477480 1024846625 /nfs/dbraw/zinc/84/66/25/1024846625.db2.gz WQYVAGDNBSOZKY-CTNGQTDRSA-N 1 3 361.505 2.777 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@]2(C)C1 ZINC001101477480 1024846641 /nfs/dbraw/zinc/84/66/41/1024846641.db2.gz WQYVAGDNBSOZKY-CTNGQTDRSA-N 1 3 361.505 2.777 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001223023407 1033248979 /nfs/dbraw/zinc/24/89/79/1033248979.db2.gz JLYUBXVCKKONCT-CVEARBPZSA-N 1 3 357.489 2.685 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001223023407 1033248991 /nfs/dbraw/zinc/24/89/91/1033248991.db2.gz JLYUBXVCKKONCT-CVEARBPZSA-N 1 3 357.489 2.685 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC001218636091 1033257699 /nfs/dbraw/zinc/25/76/99/1033257699.db2.gz NYJZDQUCCMUVCZ-HNNXBMFYSA-N 1 3 374.510 2.512 20 0 FFADHO CC(C)COCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974835 1025235365 /nfs/dbraw/zinc/23/53/65/1025235365.db2.gz SAMSJFZBDUCKAL-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)COCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101974835 1025235373 /nfs/dbraw/zinc/23/53/73/1025235373.db2.gz SAMSJFZBDUCKAL-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001111417066 1025330578 /nfs/dbraw/zinc/33/05/78/1025330578.db2.gz XKGCFQGZVFSOJU-RLLQIKCJSA-N 1 3 363.546 2.543 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001102088350 1025413106 /nfs/dbraw/zinc/41/31/06/1025413106.db2.gz SYOMEEDSBZSPNA-YVWKXTFCSA-N 1 3 363.521 2.783 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001102088350 1025413110 /nfs/dbraw/zinc/41/31/10/1025413110.db2.gz SYOMEEDSBZSPNA-YVWKXTFCSA-N 1 3 363.521 2.783 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(C[NH+](C)C)CC3)C2)cc1 ZINC000637718939 1025547405 /nfs/dbraw/zinc/54/74/05/1025547405.db2.gz AUXBKXOGWRHART-FQEVSTJZSA-N 1 3 358.530 2.553 20 0 FFADHO Cc1nc(C(C)C)oc1CN1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292555 1025703444 /nfs/dbraw/zinc/70/34/44/1025703444.db2.gz SIIKNEFFTXTKFX-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO Cc1ccc(CN2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)c(Cl)c1 ZINC001102318704 1025741595 /nfs/dbraw/zinc/74/15/95/1025741595.db2.gz GCXVYHMFSDHUIU-NVXWUHKLSA-N 1 3 351.922 2.784 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000638311763 1025778115 /nfs/dbraw/zinc/77/81/15/1025778115.db2.gz BJEBDLFHIGXZPN-UHFFFAOYSA-N 1 3 373.541 2.638 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1 ZINC001102369736 1025826220 /nfs/dbraw/zinc/82/62/20/1025826220.db2.gz FGKDVCGIXGPHGO-SFHLNBCPSA-N 1 3 357.542 2.563 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1 ZINC001102369736 1025826230 /nfs/dbraw/zinc/82/62/30/1025826230.db2.gz FGKDVCGIXGPHGO-SFHLNBCPSA-N 1 3 357.542 2.563 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001102430447 1025962928 /nfs/dbraw/zinc/96/29/28/1025962928.db2.gz QTKVQBVXASKRIZ-VQIMIIECSA-N 1 3 361.505 2.742 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C2)cc1 ZINC001102475210 1026053124 /nfs/dbraw/zinc/05/31/24/1026053124.db2.gz DOLRJHQTMLAXTF-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C2)cc1 ZINC001102475210 1026053135 /nfs/dbraw/zinc/05/31/35/1026053135.db2.gz DOLRJHQTMLAXTF-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1C ZINC001102475328 1026055610 /nfs/dbraw/zinc/05/56/10/1026055610.db2.gz IYIQEBZTOKBMQK-HUUCEWRRSA-N 1 3 351.457 2.745 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C ZINC001102475328 1026055622 /nfs/dbraw/zinc/05/56/22/1026055622.db2.gz IYIQEBZTOKBMQK-HUUCEWRRSA-N 1 3 351.457 2.745 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1C ZINC001102525272 1026215564 /nfs/dbraw/zinc/21/55/64/1026215564.db2.gz UGNVTCDJPGKFCX-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1C ZINC001102525272 1026215572 /nfs/dbraw/zinc/21/55/72/1026215572.db2.gz UGNVTCDJPGKFCX-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO Cc1nc(-c2ccccc2)oc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000639527606 1026348947 /nfs/dbraw/zinc/34/89/47/1026348947.db2.gz UNRMENDRAWJLJS-UHFFFAOYSA-N 1 3 370.497 2.540 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102600622 1026400948 /nfs/dbraw/zinc/40/09/48/1026400948.db2.gz NCBONOCLVYMVQE-NVXWUHKLSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1C ZINC001102600622 1026400950 /nfs/dbraw/zinc/40/09/50/1026400950.db2.gz NCBONOCLVYMVQE-NVXWUHKLSA-N 1 3 359.505 2.836 20 0 FFADHO CN1CC[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CC12CCCCC2 ZINC000639657772 1026422223 /nfs/dbraw/zinc/42/22/23/1026422223.db2.gz BUUMMLIVEGPUEV-JOCHJYFZSA-N 1 3 357.542 2.574 20 0 FFADHO CN1CC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CC12CCCCC2 ZINC000639657772 1026422225 /nfs/dbraw/zinc/42/22/25/1026422225.db2.gz BUUMMLIVEGPUEV-JOCHJYFZSA-N 1 3 357.542 2.574 20 0 FFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639684428 1026433549 /nfs/dbraw/zinc/43/35/49/1026433549.db2.gz VBIJCINDBHSREH-IBGZPJMESA-N 1 3 364.493 2.756 20 0 FFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639684428 1026433554 /nfs/dbraw/zinc/43/35/54/1026433554.db2.gz VBIJCINDBHSREH-IBGZPJMESA-N 1 3 364.493 2.756 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760016 1026459114 /nfs/dbraw/zinc/45/91/14/1026459114.db2.gz PQVWMSXEFMTJPQ-QGZVFWFLSA-N 1 3 368.525 2.633 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103420 1026964802 /nfs/dbraw/zinc/96/48/02/1026964802.db2.gz IHGRRKPRHHGELH-BRWVUGGUSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103420 1026964805 /nfs/dbraw/zinc/96/48/05/1026964805.db2.gz IHGRRKPRHHGELH-BRWVUGGUSA-N 1 3 364.559 2.592 20 0 FFADHO N[C@H](CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)c1ccc(Cl)cc1Cl ZINC001158579276 1027066029 /nfs/dbraw/zinc/06/60/29/1027066029.db2.gz QSPNVOPTCTUODZ-WDBKCZKBSA-N 1 3 374.287 2.919 20 0 FFADHO N[C@@H](CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)c1cccc(C(F)(F)F)c1 ZINC001158578926 1027066157 /nfs/dbraw/zinc/06/61/57/1027066157.db2.gz NCLLNGUPAMUYIW-QEJZJMRPSA-N 1 3 373.394 2.631 20 0 FFADHO CN1CCC(N([C@H](F)Oc2cccc(Cl)n2)C2CC[NH2+]CC2)CC1 ZINC001158580983 1027066664 /nfs/dbraw/zinc/06/66/64/1027066664.db2.gz LSTPLXRBCIIODD-KRWDZBQOSA-N 1 3 356.873 2.515 20 0 FFADHO CN1CCC(N(c2ccnc(Cc3ccccc3)n2)C2CC[NH2+]CC2)CC1 ZINC001158589489 1027070726 /nfs/dbraw/zinc/07/07/26/1027070726.db2.gz SPGWZTXIZNBNNQ-UHFFFAOYSA-N 1 3 365.525 2.720 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000641308846 1027206944 /nfs/dbraw/zinc/20/69/44/1027206944.db2.gz MBEYJRDYUDOZGU-FQEVSTJZSA-N 1 3 358.530 2.730 20 0 FFADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968334 1027211933 /nfs/dbraw/zinc/21/19/33/1027211933.db2.gz OCUDPBGLVRDQQP-CVEARBPZSA-N 1 3 373.463 2.784 20 0 FFADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968334 1027211943 /nfs/dbraw/zinc/21/19/43/1027211943.db2.gz OCUDPBGLVRDQQP-CVEARBPZSA-N 1 3 373.463 2.784 20 0 FFADHO CCN1CCN(c2ccc(Nc3cccnc3O[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001159347402 1027361495 /nfs/dbraw/zinc/36/14/95/1027361495.db2.gz RZHUJROLWDVZFE-LJQANCHMSA-N 1 3 367.497 2.708 20 0 FFADHO Cc1cnc(CN2C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)s1 ZINC001103434200 1027474801 /nfs/dbraw/zinc/47/48/01/1027474801.db2.gz UBQQFLHUVDTVLF-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CN2C[C@@H](C)[C@H](CCNC(=O)C[N@H+]3CCC[C@@H]3C)C2)s1 ZINC001103434200 1027474811 /nfs/dbraw/zinc/47/48/11/1027474811.db2.gz UBQQFLHUVDTVLF-HLLBOEOZSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103435043 1027477024 /nfs/dbraw/zinc/47/70/24/1027477024.db2.gz MFNVAWXFZISFNR-HSALFYBXSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103435043 1027477032 /nfs/dbraw/zinc/47/70/32/1027477032.db2.gz MFNVAWXFZISFNR-HSALFYBXSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@H+](CCCCCF)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438361 1027485313 /nfs/dbraw/zinc/48/53/13/1027485313.db2.gz CZODYSIFEREYHU-QZTJIDSGSA-N 1 3 355.542 2.932 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438361 1027485321 /nfs/dbraw/zinc/48/53/21/1027485321.db2.gz CZODYSIFEREYHU-QZTJIDSGSA-N 1 3 355.542 2.932 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCCOCC)C[C@H]1C ZINC001103542821 1027659237 /nfs/dbraw/zinc/65/92/37/1027659237.db2.gz VEXMNEDRTFNJMO-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCCOCC)C[C@H]1C ZINC001103542821 1027659240 /nfs/dbraw/zinc/65/92/40/1027659240.db2.gz VEXMNEDRTFNJMO-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC001160956754 1027945891 /nfs/dbraw/zinc/94/58/91/1027945891.db2.gz OEBOEWJVGMXBGK-ICSRJNTNSA-N 1 3 373.541 2.754 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)C2CC3(C[NH2+]C3)C2)cc1 ZINC001160958405 1027946274 /nfs/dbraw/zinc/94/62/74/1027946274.db2.gz VYAHJUWNPVNXJD-LJQANCHMSA-N 1 3 371.525 2.508 20 0 FFADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000643463158 1028011651 /nfs/dbraw/zinc/01/16/51/1028011651.db2.gz HRDCCGGHCOAQIU-LRXVAGHRSA-N 1 3 369.509 2.623 20 0 FFADHO c1ccc(CN2CCC(CNc3nccc(C4CC[NH2+]CC4)n3)CC2)nc1 ZINC001161246593 1028091022 /nfs/dbraw/zinc/09/10/22/1028091022.db2.gz UXIBDDLLFXRPFR-UHFFFAOYSA-N 1 3 366.513 2.663 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1C ZINC001103757208 1028144032 /nfs/dbraw/zinc/14/40/32/1028144032.db2.gz QOORNNGCYDJCAI-AQNXPRMDSA-N 1 3 367.578 2.608 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1C ZINC001103757208 1028144040 /nfs/dbraw/zinc/14/40/40/1028144040.db2.gz QOORNNGCYDJCAI-AQNXPRMDSA-N 1 3 367.578 2.608 20 0 FFADHO Cc1ccc(CN(C(=O)C[C@H]2CCNC[C@H]2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161400657 1028158689 /nfs/dbraw/zinc/15/86/89/1028158689.db2.gz NMOWCAQBTVSAPV-UAFMIMERSA-N 1 3 361.505 2.931 20 0 FFADHO Cc1ccc2c(/C=C/C(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001161442695 1028177948 /nfs/dbraw/zinc/17/79/48/1028177948.db2.gz FIPJRSDMZNAWME-PDFOZTTASA-N 1 3 354.498 2.632 20 0 FFADHO Cc1cccc(C2(CC(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC001161450039 1028180218 /nfs/dbraw/zinc/18/02/18/1028180218.db2.gz YNGQBUNYHJKXSO-HXUWFJFHSA-N 1 3 357.542 2.949 20 0 FFADHO CC(C)N1CCN(c2ccc(N3C[C@@H]([NH3+])Cc4ccccc43)cn2)CC1 ZINC001162847071 1028677788 /nfs/dbraw/zinc/67/77/88/1028677788.db2.gz HEMOEDVVIRIYLY-SFHVURJKSA-N 1 3 351.498 2.634 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(Cl)nc2ccc(OC)nc21 ZINC001163126990 1028813543 /nfs/dbraw/zinc/81/35/43/1028813543.db2.gz WJHZQNJUYNAALO-UHFFFAOYSA-N 1 3 350.854 2.570 20 0 FFADHO Cc1nc(N2CCCC2)cc(N2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001163879185 1029101433 /nfs/dbraw/zinc/10/14/33/1029101433.db2.gz AMBOMNNAQVFRNK-UHFFFAOYSA-N 1 3 373.545 2.714 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000782213811 1029612246 /nfs/dbraw/zinc/61/22/46/1029612246.db2.gz VIRRCOMHPFBKLY-UHFFFAOYSA-N 1 3 374.598 2.942 20 0 FFADHO CC1CC(N(C)C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C1 ZINC001157875144 1029679403 /nfs/dbraw/zinc/67/94/03/1029679403.db2.gz WUHCAYZJIXADHW-HJSRJYPHSA-N 1 3 355.526 2.745 20 0 FFADHO O=C(c1cc2c(s1)CNCC2)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158261616 1029776545 /nfs/dbraw/zinc/77/65/45/1029776545.db2.gz NQXYKQZSRSQMRV-AWEZNQCLSA-N 1 3 373.444 2.683 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC001158404232 1029820783 /nfs/dbraw/zinc/82/07/83/1029820783.db2.gz SCUXWCAHOOGTSD-DOTOQJQBSA-N 1 3 355.885 2.805 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cc(F)ccc2Cl)CC[N@H+]1C ZINC001158404232 1029820789 /nfs/dbraw/zinc/82/07/89/1029820789.db2.gz SCUXWCAHOOGTSD-DOTOQJQBSA-N 1 3 355.885 2.805 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000841291683 1030164256 /nfs/dbraw/zinc/16/42/56/1030164256.db2.gz KNRNTWKUQZVAJO-HXUWFJFHSA-N 1 3 368.481 2.983 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841819393 1030486404 /nfs/dbraw/zinc/48/64/04/1030486404.db2.gz BTUXICYBYFWXJM-DLBZAZTESA-N 1 3 366.456 2.510 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000796693669 1030885086 /nfs/dbraw/zinc/88/50/86/1030885086.db2.gz IFPYSJBQTKBMKE-VSZNYVQBSA-N 1 3 369.550 2.626 20 0 FFADHO CC(=O)Nc1ccc(CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001203925271 1030985438 /nfs/dbraw/zinc/98/54/38/1030985438.db2.gz ZPMVUSBYFDCMFN-WOJBJXKFSA-N 1 3 350.466 2.604 20 0 FFADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)cc1 ZINC001204144616 1031126096 /nfs/dbraw/zinc/12/60/96/1031126096.db2.gz LJNIVDFYQXNWLF-OAQYLSRUSA-N 1 3 360.498 2.796 20 0 FFADHO COC(=O)c1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)cc1 ZINC001204144616 1031126101 /nfs/dbraw/zinc/12/61/01/1031126101.db2.gz LJNIVDFYQXNWLF-OAQYLSRUSA-N 1 3 360.498 2.796 20 0 FFADHO CC[NH+]1CCC(CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CC1 ZINC001204180794 1031149727 /nfs/dbraw/zinc/14/97/27/1031149727.db2.gz VQKGBYUEDKZORC-FQEVSTJZSA-N 1 3 365.949 2.723 20 0 FFADHO c1sc(CN2CCC(COCC[NH+]3CCCC3)CC2)c2c1OCCO2 ZINC001143178452 1031284158 /nfs/dbraw/zinc/28/41/58/1031284158.db2.gz FQLJQRYGCQOEKE-UHFFFAOYSA-N 1 3 366.527 2.844 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000843358517 1031351419 /nfs/dbraw/zinc/35/14/19/1031351419.db2.gz QJQZMGDMPRSSIG-FDFHNCONSA-N 1 3 372.484 2.502 20 0 FFADHO [NH3+][C@H]1CCCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001204878077 1031459143 /nfs/dbraw/zinc/45/91/43/1031459143.db2.gz WEJHAUOSFJYEPA-QFIPXVFZSA-N 1 3 364.537 2.932 20 0 FFADHO C[C@H]1CCN(Cc2cn3cc(Br)ccc3n2)CC[C@@H]1C[NH3+] ZINC001205638254 1031895593 /nfs/dbraw/zinc/89/55/93/1031895593.db2.gz LPYKAKNPMOTHBO-QWHCGFSZSA-N 1 3 351.292 2.904 20 0 FFADHO C[C@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001205645020 1031902113 /nfs/dbraw/zinc/90/21/13/1031902113.db2.gz AUHJNWNBRKNWCI-MDCZIUGASA-N 1 3 355.523 2.523 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223246399 1033356154 /nfs/dbraw/zinc/35/61/54/1033356154.db2.gz RHUXJXYCZKKBOD-MOPGFXCFSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223246399 1033356167 /nfs/dbraw/zinc/35/61/67/1033356167.db2.gz RHUXJXYCZKKBOD-MOPGFXCFSA-N 1 3 365.562 2.599 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC001218889125 1033394099 /nfs/dbraw/zinc/39/40/99/1033394099.db2.gz BAGBQSKZEPFXDG-HKUYNNGSSA-N 1 3 373.501 2.733 20 0 FFADHO CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218911594 1033407216 /nfs/dbraw/zinc/40/72/16/1033407216.db2.gz UIBVNJZCWIWISC-IBGZPJMESA-N 1 3 354.498 2.990 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2CCN(CCOCC(C)C)[C@H]2C1)[NH+](CC)CC ZINC001223489742 1033467578 /nfs/dbraw/zinc/46/75/78/1033467578.db2.gz VBGTWDWXDOVDHC-AQNXPRMDSA-N 1 3 367.578 2.702 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)c1ccccc1C1CC[NH2+]CC1 ZINC001219029886 1033477507 /nfs/dbraw/zinc/47/75/07/1033477507.db2.gz SBSPRMOWHXNBGW-UHFFFAOYSA-N 1 3 351.450 2.888 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC001219071403 1033505198 /nfs/dbraw/zinc/50/51/98/1033505198.db2.gz ATZAHHDOZJZVSK-SFHVURJKSA-N 1 3 369.444 2.619 20 0 FFADHO COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]CC13CNC3)C(C)(C)CCC2(C)C ZINC001219133409 1033528678 /nfs/dbraw/zinc/52/86/78/1033528678.db2.gz SZMCQZWHIPARQU-INIZCTEOSA-N 1 3 371.525 2.792 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3C)[C@H]2C1 ZINC001223838388 1033610448 /nfs/dbraw/zinc/61/04/48/1033610448.db2.gz HQYUZZOQHUMTRA-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3C)[C@H]2C1 ZINC001223838388 1033610453 /nfs/dbraw/zinc/61/04/53/1033610453.db2.gz HQYUZZOQHUMTRA-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO CCCCN(CC)[C@H](C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ccccc1 ZINC001219852286 1033851206 /nfs/dbraw/zinc/85/12/06/1033851206.db2.gz PWJHBVKVWCCWBH-BURNTYAHSA-N 1 3 373.541 2.590 20 0 FFADHO CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138770903 1034637631 /nfs/dbraw/zinc/63/76/31/1034637631.db2.gz WFYJLOVDQBOBAV-LEWJYISDSA-N 1 3 362.514 2.787 20 0 FFADHO N[C@H](CC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)c1cccc(Cl)c1Cl ZINC001221407640 1034718312 /nfs/dbraw/zinc/71/83/12/1034718312.db2.gz CRHMOZBPSNDARA-PBHICJAKSA-N 1 3 356.297 2.888 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC001226565239 1034737979 /nfs/dbraw/zinc/73/79/79/1034737979.db2.gz XMJOUSUBLHJXGS-GUDVDZBRSA-N 1 3 364.509 2.587 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2F)CCC1 ZINC001226782295 1034836709 /nfs/dbraw/zinc/83/67/09/1034836709.db2.gz JRYBRPHHCJRLIV-QZTJIDSGSA-N 1 3 365.468 2.966 20 0 FFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001226801094 1034845958 /nfs/dbraw/zinc/84/59/58/1034845958.db2.gz RIAOJCLPTVVULA-VAMGGRTRSA-N 1 3 361.505 2.991 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001226890975 1034875024 /nfs/dbraw/zinc/87/50/24/1034875024.db2.gz QQDJAXFBSDCFTN-USXIJHARSA-N 1 3 350.532 2.535 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001226890975 1034875036 /nfs/dbraw/zinc/87/50/36/1034875036.db2.gz QQDJAXFBSDCFTN-USXIJHARSA-N 1 3 350.532 2.535 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1sc(C)nc1C)N(C)C ZINC001227057542 1034923103 /nfs/dbraw/zinc/92/31/03/1034923103.db2.gz UTWFOAHRYQMXCB-BZUAXINKSA-N 1 3 352.548 2.617 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848443 1035112313 /nfs/dbraw/zinc/11/23/13/1035112313.db2.gz OTMZKKPPUDIFLA-VAMGGRTRSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848443 1035112317 /nfs/dbraw/zinc/11/23/17/1035112317.db2.gz OTMZKKPPUDIFLA-VAMGGRTRSA-N 1 3 365.562 2.600 20 0 FFADHO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccccc3C3CC3)CC[C@@H]21 ZINC001139882979 1035265358 /nfs/dbraw/zinc/26/53/58/1035265358.db2.gz WOACBWDCUCSBJE-DYXWJJEUSA-N 1 3 351.498 2.750 20 0 FFADHO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccccc3C3CC3)CC[C@@H]21 ZINC001139882979 1035265360 /nfs/dbraw/zinc/26/53/60/1035265360.db2.gz WOACBWDCUCSBJE-DYXWJJEUSA-N 1 3 351.498 2.750 20 0 FFADHO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccc4c3CCCC4)CC[C@@H]21 ZINC001232637064 1035894204 /nfs/dbraw/zinc/89/42/04/1035894204.db2.gz MFFSVIXIRVOVPK-URVUXULASA-N 1 3 365.525 2.752 20 0 FFADHO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccc4c3CCCC4)CC[C@@H]21 ZINC001232637064 1035894214 /nfs/dbraw/zinc/89/42/14/1035894214.db2.gz MFFSVIXIRVOVPK-URVUXULASA-N 1 3 365.525 2.752 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355736 1036067716 /nfs/dbraw/zinc/06/77/16/1036067716.db2.gz SRYPHCVOHOEQMQ-IAGOWNOFSA-N 1 3 367.921 2.817 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1)CC(C)(C)C ZINC001228624034 1036214578 /nfs/dbraw/zinc/21/45/78/1036214578.db2.gz QWXYHECONDUKKB-QZTJIDSGSA-N 1 3 364.509 2.716 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1)CC(C)(C)C ZINC001228647763 1036230288 /nfs/dbraw/zinc/23/02/88/1036230288.db2.gz YRRJIIHUQRAZHI-HZPDHXFCSA-N 1 3 352.548 2.638 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C)C1CCC1 ZINC001228647373 1036231640 /nfs/dbraw/zinc/23/16/40/1036231640.db2.gz RZPHYXIMOMLXGP-GUDVDZBRSA-N 1 3 367.578 2.796 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C)c1)N(C)C ZINC001229746403 1036866089 /nfs/dbraw/zinc/86/60/89/1036866089.db2.gz MYJZRNOMGGXEMC-AQNXPRMDSA-N 1 3 361.530 2.731 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001229869142 1036947100 /nfs/dbraw/zinc/94/71/00/1036947100.db2.gz YUOKLWFCLQQRGK-RBSFLKMASA-N 1 3 364.361 2.929 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001230284417 1037194102 /nfs/dbraw/zinc/19/41/02/1037194102.db2.gz DLGWFQORUUQFPH-RBSFLKMASA-N 1 3 364.361 2.928 20 0 FFADHO Cc1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(Br)c1 ZINC001235368913 1037510771 /nfs/dbraw/zinc/51/07/71/1037510771.db2.gz OPWJRNNXQHDNGW-BFYDXBDKSA-N 1 3 351.288 2.710 20 0 FFADHO Fc1cccc(N2CCOC[C@@]3(CCCN(C[C@@H]4CCC[NH2+]C4)C3)C2)c1 ZINC001235603322 1037638263 /nfs/dbraw/zinc/63/82/63/1037638263.db2.gz UQNNZSLUCFSJKH-WIYYLYMNSA-N 1 3 361.505 2.744 20 0 FFADHO c1ccc(CN(C[C@H]2CNCCO2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235948563 1037850562 /nfs/dbraw/zinc/85/05/62/1037850562.db2.gz PYPWDJDMCSOIMO-DHIUTWEWSA-N 1 3 365.521 2.752 20 0 FFADHO c1ccc(CN(C[C@H]2CNCCO2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235948563 1037850585 /nfs/dbraw/zinc/85/05/85/1037850585.db2.gz PYPWDJDMCSOIMO-DHIUTWEWSA-N 1 3 365.521 2.752 20 0 FFADHO C[C@H]1CN(Cc2ccccc2N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001236071841 1037913915 /nfs/dbraw/zinc/91/39/15/1037913915.db2.gz KHMRLBPUIABSSA-FQEVSTJZSA-N 1 3 364.537 2.803 20 0 FFADHO CN1CCN(c2cc(CN(C[C@H]3CCC[NH2+]C3)C3CC3)ccc2F)CC1 ZINC001236601239 1038149718 /nfs/dbraw/zinc/14/97/18/1038149718.db2.gz LSJSQWLGWICWHO-SFHVURJKSA-N 1 3 360.521 2.542 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC001256034750 1038329729 /nfs/dbraw/zinc/32/97/29/1038329729.db2.gz YSKDEQBXYYSWIO-MOPGFXCFSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC001256034750 1038329745 /nfs/dbraw/zinc/32/97/45/1038329745.db2.gz YSKDEQBXYYSWIO-MOPGFXCFSA-N 1 3 358.530 2.634 20 0 FFADHO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001256037377 1038331685 /nfs/dbraw/zinc/33/16/85/1038331685.db2.gz FEECYEJSNJOMCZ-TZIWHRDSSA-N 1 3 357.498 2.815 20 0 FFADHO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001256037377 1038331696 /nfs/dbraw/zinc/33/16/96/1038331696.db2.gz FEECYEJSNJOMCZ-TZIWHRDSSA-N 1 3 357.498 2.815 20 0 FFADHO C[C@@H]1CN(CCOc2cccc3ccccc32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208487765 1038354227 /nfs/dbraw/zinc/35/42/27/1038354227.db2.gz HXRMYOZJDJIJTG-YLJYHZDGSA-N 1 3 369.509 2.607 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001208530004 1038386163 /nfs/dbraw/zinc/38/61/63/1038386163.db2.gz AQJSFHFVXJZIFY-ATZDWAIDSA-N 1 3 365.949 2.905 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001208530004 1038386176 /nfs/dbraw/zinc/38/61/76/1038386176.db2.gz AQJSFHFVXJZIFY-ATZDWAIDSA-N 1 3 365.949 2.905 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001208598468 1038436796 /nfs/dbraw/zinc/43/67/96/1038436796.db2.gz BMQUBFRDPWAKNJ-HSALFYBXSA-N 1 3 359.514 2.672 20 0 FFADHO CN1CCC[C@@H](C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C1 ZINC001208614057 1038446842 /nfs/dbraw/zinc/44/68/42/1038446842.db2.gz QSLLZZKPYOJYEL-SVFBPWRDSA-N 1 3 359.514 2.673 20 0 FFADHO CN1CCC[C@@H](C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C1 ZINC001208614057 1038446847 /nfs/dbraw/zinc/44/68/47/1038446847.db2.gz QSLLZZKPYOJYEL-SVFBPWRDSA-N 1 3 359.514 2.673 20 0 FFADHO CN1CCC[C@H](C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C1 ZINC001208614056 1038447514 /nfs/dbraw/zinc/44/75/14/1038447514.db2.gz QSLLZZKPYOJYEL-IRFCIJBXSA-N 1 3 359.514 2.673 20 0 FFADHO CN1CCC[C@H](C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C1 ZINC001208614056 1038447520 /nfs/dbraw/zinc/44/75/20/1038447520.db2.gz QSLLZZKPYOJYEL-IRFCIJBXSA-N 1 3 359.514 2.673 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521886 1038543495 /nfs/dbraw/zinc/54/34/95/1038543495.db2.gz FMGMLADGUYXNHM-NVXWUHKLSA-N 1 3 356.470 2.744 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521886 1038543501 /nfs/dbraw/zinc/54/35/01/1038543501.db2.gz FMGMLADGUYXNHM-NVXWUHKLSA-N 1 3 356.470 2.744 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256676666 1038598681 /nfs/dbraw/zinc/59/86/81/1038598681.db2.gz GVOSZKFFFXGQCZ-LXPRWKDFSA-N 1 3 367.534 2.619 20 0 FFADHO Cc1cccc(CN2CC[C@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)c1 ZINC001256681601 1038600238 /nfs/dbraw/zinc/60/02/38/1038600238.db2.gz YODVLFNEGLPSIY-ORFBVSJDSA-N 1 3 357.542 2.802 20 0 FFADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256682520 1038600345 /nfs/dbraw/zinc/60/03/45/1038600345.db2.gz KCRDSWAVJVNBNL-KBWCOIMZSA-N 1 3 371.525 2.524 20 0 FFADHO Brc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ccn1 ZINC001256683141 1038601555 /nfs/dbraw/zinc/60/15/55/1038601555.db2.gz SXERSGSSOKSZOY-UHFFFAOYSA-N 1 3 354.292 2.577 20 0 FFADHO CC(C)[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001256683485 1038601654 /nfs/dbraw/zinc/60/16/54/1038601654.db2.gz DFKUPRUVBXQARG-DAWZGUTISA-N 1 3 369.550 2.769 20 0 FFADHO O=C(CC[NH2+]C1CCC(N2CCOCC2)CC1)N1CCCc2ccccc21 ZINC001256686357 1038602824 /nfs/dbraw/zinc/60/28/24/1038602824.db2.gz NMDBXNMSEJGESO-UHFFFAOYSA-N 1 3 371.525 2.589 20 0 FFADHO C[N@H+](CCCCNC(=O)OC(C)(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256695545 1038605545 /nfs/dbraw/zinc/60/55/45/1038605545.db2.gz DITISEVIELLOFX-UHFFFAOYSA-N 1 3 369.550 2.867 20 0 FFADHO C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256695545 1038605549 /nfs/dbraw/zinc/60/55/49/1038605549.db2.gz DITISEVIELLOFX-UHFFFAOYSA-N 1 3 369.550 2.867 20 0 FFADHO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256695978 1038606291 /nfs/dbraw/zinc/60/62/91/1038606291.db2.gz SCLAEWCEHHKEKT-UHFFFAOYSA-N 1 3 369.550 2.819 20 0 FFADHO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256695978 1038606293 /nfs/dbraw/zinc/60/62/93/1038606293.db2.gz SCLAEWCEHHKEKT-UHFFFAOYSA-N 1 3 369.550 2.819 20 0 FFADHO Fc1cnc(O[C@@H]2CC[N@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965290 1038610316 /nfs/dbraw/zinc/61/03/16/1038610316.db2.gz YEMWXNKSJONKKM-PKOBYXMFSA-N 1 3 356.445 2.591 20 0 FFADHO Fc1cnc(O[C@@H]2CC[N@@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965290 1038610317 /nfs/dbraw/zinc/61/03/17/1038610317.db2.gz YEMWXNKSJONKKM-PKOBYXMFSA-N 1 3 356.445 2.591 20 0 FFADHO COc1cccc(CN2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256862815 1038639052 /nfs/dbraw/zinc/63/90/52/1038639052.db2.gz QVUIRPSQOJCNMA-UHFFFAOYSA-N 1 3 366.509 2.877 20 0 FFADHO c1cncc(CCC[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001209177607 1038701474 /nfs/dbraw/zinc/70/14/74/1038701474.db2.gz WJQRBJQVGSDVJE-FGZHOGPDSA-N 1 3 366.509 2.632 20 0 FFADHO c1cncc(CCC[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001209177607 1038701485 /nfs/dbraw/zinc/70/14/85/1038701485.db2.gz WJQRBJQVGSDVJE-FGZHOGPDSA-N 1 3 366.509 2.632 20 0 FFADHO Cc1cccc(CO[C@@H]2C[C@H]3CN(C4CC[NH+](C(C)C)CC4)CCN3C2)n1 ZINC001257219108 1038749248 /nfs/dbraw/zinc/74/92/48/1038749248.db2.gz YNGPDAUKSVFCOJ-FCHUYYIVSA-N 1 3 372.557 2.538 20 0 FFADHO Cc1cccc(CN2C[C@@H]3CN(CCC[NH+]4CCCCC4)C[C@@H]3C2=O)c1 ZINC001209451411 1038878520 /nfs/dbraw/zinc/87/85/20/1038878520.db2.gz WKEVJJIABYUSHV-SFTDATJTSA-N 1 3 355.526 2.761 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c(OCC)c1 ZINC001279047849 1038986098 /nfs/dbraw/zinc/98/60/98/1038986098.db2.gz SSOVNIGWHKXSSO-FXAWDEMLSA-N 1 3 361.530 2.552 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c(OCC)c1 ZINC001279047849 1038986116 /nfs/dbraw/zinc/98/61/16/1038986116.db2.gz SSOVNIGWHKXSSO-FXAWDEMLSA-N 1 3 361.530 2.552 20 0 FFADHO Cc1nc(CN2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)sc1C ZINC001278412502 1039064598 /nfs/dbraw/zinc/06/45/98/1039064598.db2.gz SWWVQLIADQVIFL-LJQANCHMSA-N 1 3 350.576 3.000 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1)CC(F)(F)F ZINC001276658237 1039066532 /nfs/dbraw/zinc/06/65/32/1039066532.db2.gz ZAJWVYVDDQOKPP-DOTOQJQBSA-N 1 3 363.468 2.841 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1)CC(F)(F)F ZINC001276658237 1039066546 /nfs/dbraw/zinc/06/65/46/1039066546.db2.gz ZAJWVYVDDQOKPP-DOTOQJQBSA-N 1 3 363.468 2.841 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(-c2ccccc2)nc1 ZINC001278633852 1039102017 /nfs/dbraw/zinc/10/20/17/1039102017.db2.gz ALCPSMOMPYZESO-VXKWHMMOSA-N 1 3 350.510 2.959 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(-c2ccccc2)nc1 ZINC001278633852 1039102025 /nfs/dbraw/zinc/10/20/25/1039102025.db2.gz ALCPSMOMPYZESO-VXKWHMMOSA-N 1 3 350.510 2.959 20 0 FFADHO CC(C)CN1CCC([N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)CC1 ZINC001258018605 1039117624 /nfs/dbraw/zinc/11/76/24/1039117624.db2.gz QHUWCPILNXNXHT-HXUWFJFHSA-N 1 3 359.514 2.749 20 0 FFADHO CC(C)CN1CCC([N@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)CC1 ZINC001258018605 1039117633 /nfs/dbraw/zinc/11/76/33/1039117633.db2.gz QHUWCPILNXNXHT-HXUWFJFHSA-N 1 3 359.514 2.749 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3cnccc3N)C2)C1 ZINC001209730597 1039165171 /nfs/dbraw/zinc/16/51/71/1039165171.db2.gz ZEHXLHHQSIFFIK-QFBILLFUSA-N 1 3 364.465 2.665 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3cnccc3N)C2)C1 ZINC001209730597 1039165179 /nfs/dbraw/zinc/16/51/79/1039165179.db2.gz ZEHXLHHQSIFFIK-QFBILLFUSA-N 1 3 364.465 2.665 20 0 FFADHO C[C@@H]1CC[C@@H](CNC[C@H](O)COCc2c(Cl)cccc2Cl)C[NH2+]1 ZINC001245973001 1039171087 /nfs/dbraw/zinc/17/10/87/1039171087.db2.gz IZONDEAHQOCVRP-RDBSUJKOSA-N 1 3 361.313 2.849 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001246006053 1039186641 /nfs/dbraw/zinc/18/66/41/1039186641.db2.gz STWMGBLAQPDACW-NMLBUPMWSA-N 1 3 374.525 2.765 20 0 FFADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001246018257 1039193956 /nfs/dbraw/zinc/19/39/56/1039193956.db2.gz VHMMCOXAEHXUOO-HRCADAONSA-N 1 3 353.466 2.872 20 0 FFADHO C[C@H]1CC[C@@H](CN)[N@H+]1C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001246018257 1039193965 /nfs/dbraw/zinc/19/39/65/1039193965.db2.gz VHMMCOXAEHXUOO-HRCADAONSA-N 1 3 353.466 2.872 20 0 FFADHO C[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c4ccccc4c32)C[C@@H]1C[NH3+] ZINC001246022172 1039196443 /nfs/dbraw/zinc/19/64/43/1039196443.db2.gz PSXYZRCIYFIVDB-IKGGRYGDSA-N 1 3 367.493 2.978 20 0 FFADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001246023130 1039197478 /nfs/dbraw/zinc/19/74/78/1039197478.db2.gz OEWOLSRLQWLVLL-MGPQQGTHSA-N 1 3 361.313 2.930 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001251673537 1039243007 /nfs/dbraw/zinc/24/30/07/1039243007.db2.gz ZCQVJJVBDRMYEA-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001251673538 1039244000 /nfs/dbraw/zinc/24/40/00/1039244000.db2.gz ZCQVJJVBDRMYEA-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO O=C(OCc1ccccc1)[C@H]1CCCN[C@@H](NC2CCC3(C[NH2+]C3)CC2)C1 ZINC001246260168 1039289635 /nfs/dbraw/zinc/28/96/35/1039289635.db2.gz LYKGPFOAYOZKAE-ICSRJNTNSA-N 1 3 371.525 2.567 20 0 FFADHO c1ccc(C[C@@H]2C[C@H]([NH2+]CCOc3ccc4c(c3)OCO4)CCN2)cc1 ZINC001246264217 1039290108 /nfs/dbraw/zinc/29/01/08/1039290108.db2.gz FCUWBSBIEXIXLA-QZTJIDSGSA-N 1 3 354.450 2.747 20 0 FFADHO CC1(C)C[C@H](N[C@@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246272457 1039294199 /nfs/dbraw/zinc/29/41/99/1039294199.db2.gz PRTYDBZJUWNNEJ-HUUCEWRRSA-N 1 3 370.278 2.879 20 0 FFADHO CC1(C)C[C@H]([NH2+][C@@H]2Cc3ccc(I)cc3C2)CCN1 ZINC001246272457 1039294204 /nfs/dbraw/zinc/29/42/04/1039294204.db2.gz PRTYDBZJUWNNEJ-HUUCEWRRSA-N 1 3 370.278 2.879 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H](CC2CC[NH2+]CC2)c2ccccc2)CN1 ZINC001246395592 1039338080 /nfs/dbraw/zinc/33/80/80/1039338080.db2.gz NTXLAKMAFWSJFI-ZCNNSNEGSA-N 1 3 373.541 2.779 20 0 FFADHO O=C(c1cccc(C(F)(F)F)c1)N1CCC([NH2+]C2CCNCC2)CC1 ZINC001246429770 1039353239 /nfs/dbraw/zinc/35/32/39/1039353239.db2.gz WCAASVHUJGKJCM-UHFFFAOYSA-N 1 3 355.404 2.652 20 0 FFADHO CC(C)(C)OC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246500446 1039372807 /nfs/dbraw/zinc/37/28/07/1039372807.db2.gz IDLDAWSSQCYILY-FHWLQOOXSA-N 1 3 361.530 2.909 20 0 FFADHO CCCC(C[NH3+])(CCC)NC(CCC(=O)OCC)CCC(=O)OCC ZINC001246498798 1039373605 /nfs/dbraw/zinc/37/36/05/1039373605.db2.gz YJNBZYUVYGILHE-UHFFFAOYSA-N 1 3 358.523 2.929 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC)C[C@H]1C ZINC001210179561 1039421092 /nfs/dbraw/zinc/42/10/92/1039421092.db2.gz PPSVJBJMZHINSY-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@H]1C ZINC001210179561 1039421097 /nfs/dbraw/zinc/42/10/97/1039421097.db2.gz PPSVJBJMZHINSY-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@H]1C ZINC001210179817 1039421213 /nfs/dbraw/zinc/42/12/13/1039421213.db2.gz RWNKAVSANLTTFQ-AQNXPRMDSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1C ZINC001210179817 1039421219 /nfs/dbraw/zinc/42/12/19/1039421219.db2.gz RWNKAVSANLTTFQ-AQNXPRMDSA-N 1 3 367.578 2.894 20 0 FFADHO CC(C)(C)[C@H]1C[C@@H](N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246725837 1039452895 /nfs/dbraw/zinc/45/28/95/1039452895.db2.gz RTRDNSNXLDBWRC-VBRUWADQSA-N 1 3 359.514 2.859 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246805892 1039486575 /nfs/dbraw/zinc/48/65/75/1039486575.db2.gz KVEVCSUMGNKASS-IAGOWNOFSA-N 1 3 352.320 2.880 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246805892 1039486580 /nfs/dbraw/zinc/48/65/80/1039486580.db2.gz KVEVCSUMGNKASS-IAGOWNOFSA-N 1 3 352.320 2.880 20 0 FFADHO c1ccc(-c2cccc(N3CC[NH+]([C@H]4CCOC5(CNC5)C4)CC3)c2)cc1 ZINC001246894849 1039521699 /nfs/dbraw/zinc/52/16/99/1039521699.db2.gz AUSZFDDVKZCKRF-QFIPXVFZSA-N 1 3 363.505 2.997 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC001252408614 1039533027 /nfs/dbraw/zinc/53/30/27/1039533027.db2.gz GNXYYWOEVDUWAL-PWRODBHTSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC001252408614 1039533043 /nfs/dbraw/zinc/53/30/43/1039533043.db2.gz GNXYYWOEVDUWAL-PWRODBHTSA-N 1 3 370.541 2.885 20 0 FFADHO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246941534 1039541629 /nfs/dbraw/zinc/54/16/29/1039541629.db2.gz LPVXQAAKOLSOKZ-DLBZAZTESA-N 1 3 374.529 2.751 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNCC1(c2cccc(Cl)c2)CCOCC1 ZINC001253212166 1040047157 /nfs/dbraw/zinc/04/71/57/1040047157.db2.gz MVLRFHNZCWASIJ-SFHVURJKSA-N 1 3 354.922 2.681 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001253212099 1040049063 /nfs/dbraw/zinc/04/90/63/1040049063.db2.gz MDBCDUZZLHBBCN-LJQANCHMSA-N 1 3 353.938 2.597 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNC1(Cc2ccccc2Cl)CCOCC1 ZINC001253214752 1040051166 /nfs/dbraw/zinc/05/11/66/1040051166.db2.gz RSBBYOXDPCVFBR-QGZVFWFLSA-N 1 3 354.922 2.724 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211292238 1040066332 /nfs/dbraw/zinc/06/63/32/1040066332.db2.gz JNRULNHLSOMNDW-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211292238 1040066350 /nfs/dbraw/zinc/06/63/50/1040066350.db2.gz JNRULNHLSOMNDW-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C)N1CCCC1 ZINC001211374759 1040118950 /nfs/dbraw/zinc/11/89/50/1040118950.db2.gz MUPXYHPVKCEIMN-NRSPTQNISA-N 1 3 357.542 2.786 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C)N1CCCC1 ZINC001211374759 1040118958 /nfs/dbraw/zinc/11/89/58/1040118958.db2.gz MUPXYHPVKCEIMN-NRSPTQNISA-N 1 3 357.542 2.786 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N1CCCC1 ZINC001211376716 1040122402 /nfs/dbraw/zinc/12/24/02/1040122402.db2.gz OYLNSLLUEJRCNI-BHIYHBOVSA-N 1 3 363.571 2.848 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N1CCCC1 ZINC001211376716 1040122407 /nfs/dbraw/zinc/12/24/07/1040122407.db2.gz OYLNSLLUEJRCNI-BHIYHBOVSA-N 1 3 363.571 2.848 20 0 FFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405502 1040157097 /nfs/dbraw/zinc/15/70/97/1040157097.db2.gz DSPYLNYEJPZQIC-BBWFWOEESA-N 1 3 371.566 2.608 20 0 FFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405502 1040157107 /nfs/dbraw/zinc/15/71/07/1040157107.db2.gz DSPYLNYEJPZQIC-BBWFWOEESA-N 1 3 371.566 2.608 20 0 FFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405998 1040157710 /nfs/dbraw/zinc/15/77/10/1040157710.db2.gz WJGRSVGRQJYXPS-IKGGRYGDSA-N 1 3 371.566 2.608 20 0 FFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405998 1040157714 /nfs/dbraw/zinc/15/77/14/1040157714.db2.gz WJGRSVGRQJYXPS-IKGGRYGDSA-N 1 3 371.566 2.608 20 0 FFADHO CCC1(CNC[C@H](O)C[NH2+]C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253411230 1040158744 /nfs/dbraw/zinc/15/87/44/1040158744.db2.gz FSRJOLXDCAEQAQ-INIZCTEOSA-N 1 3 371.566 2.752 20 0 FFADHO CCC1(C[NH2+]C[C@H](O)CNC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001253411230 1040158753 /nfs/dbraw/zinc/15/87/53/1040158753.db2.gz FSRJOLXDCAEQAQ-INIZCTEOSA-N 1 3 371.566 2.752 20 0 FFADHO CC(C)(C)OC[C@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001253451600 1040186600 /nfs/dbraw/zinc/18/66/00/1040186600.db2.gz BZEMWICICXUKER-LJQANCHMSA-N 1 3 361.530 2.546 20 0 FFADHO CC(C)(C)OC[C@@H](O)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001253452965 1040188711 /nfs/dbraw/zinc/18/87/11/1040188711.db2.gz RMXYJJWMROJYKK-SFHVURJKSA-N 1 3 350.503 2.744 20 0 FFADHO CO[C@@H]1CN([C@H](C)c2ccc3ccccc3c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374655 1040490295 /nfs/dbraw/zinc/49/02/95/1040490295.db2.gz PYNQOXWDXUBFCQ-MAODMQOUSA-N 1 3 369.509 2.668 20 0 FFADHO CN1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C2(CCCC2)C1 ZINC001254044463 1040546349 /nfs/dbraw/zinc/54/63/49/1040546349.db2.gz XEHDONOKOQEIGM-UHFFFAOYSA-N 1 3 357.542 2.574 20 0 FFADHO CN1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C2(CCCC2)C1 ZINC001254044463 1040546365 /nfs/dbraw/zinc/54/63/65/1040546365.db2.gz XEHDONOKOQEIGM-UHFFFAOYSA-N 1 3 357.542 2.574 20 0 FFADHO NCCC[NH2+]CCCCn1cc(-c2cccc(OC(F)(F)F)c2)nn1 ZINC001254163730 1040590231 /nfs/dbraw/zinc/59/02/31/1040590231.db2.gz WVEMUEPNQYYWSF-UHFFFAOYSA-N 1 3 357.380 2.562 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)CC1=O ZINC001254238000 1040633232 /nfs/dbraw/zinc/63/32/32/1040633232.db2.gz RIYNABFRHDPBNX-INIZCTEOSA-N 1 3 365.518 2.909 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1=O ZINC001254238000 1040633236 /nfs/dbraw/zinc/63/32/36/1040633236.db2.gz RIYNABFRHDPBNX-INIZCTEOSA-N 1 3 365.518 2.909 20 0 FFADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254380369 1040691091 /nfs/dbraw/zinc/69/10/91/1040691091.db2.gz NEYPGXXGFFMCNJ-PMACEKPBSA-N 1 3 359.514 2.564 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(CC2CC(C)(C)C2)C[C@H]1OC)C(C)C ZINC001213593024 1040701646 /nfs/dbraw/zinc/70/16/46/1040701646.db2.gz KOXVGWRGWOHYIE-GUDVDZBRSA-N 1 3 367.578 2.604 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1OC ZINC001213763322 1040883962 /nfs/dbraw/zinc/88/39/62/1040883962.db2.gz OSZXKIKKUCUTSA-RTBURBONSA-N 1 3 353.551 2.504 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1OC ZINC001213763322 1040883969 /nfs/dbraw/zinc/88/39/69/1040883969.db2.gz OSZXKIKKUCUTSA-RTBURBONSA-N 1 3 353.551 2.504 20 0 FFADHO CC(C)(C)OC(=O)NCc1c[nH+]ccc1Nc1ccnn1-c1ccncc1 ZINC001249820339 1041020169 /nfs/dbraw/zinc/02/01/69/1041020169.db2.gz SUSIAEOGSHWTDZ-UHFFFAOYSA-N 1 3 366.425 2.853 20 0 FFADHO COCCCN1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255145996 1041170329 /nfs/dbraw/zinc/17/03/29/1041170329.db2.gz YLJVFFYOLPUBFH-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO COCCCN1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255145996 1041170338 /nfs/dbraw/zinc/17/03/38/1041170338.db2.gz YLJVFFYOLPUBFH-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO O=C(C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1)NCc1ccccc1 ZINC001255384285 1041312264 /nfs/dbraw/zinc/31/22/64/1041312264.db2.gz XJBJIJYNJZWJIE-NRFANRHFSA-N 1 3 351.494 2.947 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC001262355563 1041653633 /nfs/dbraw/zinc/65/36/33/1041653633.db2.gz ZEDOQZZMVXKHRH-XRXFAXGQSA-N 1 3 370.541 2.633 20 0 FFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215540630 1041820301 /nfs/dbraw/zinc/82/03/01/1041820301.db2.gz OJSJXEIUFIETAA-SFHLNBCPSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001215558430 1041827090 /nfs/dbraw/zinc/82/70/90/1041827090.db2.gz SHMCQSACTDGJAK-GDBMZVCRSA-N 1 3 366.937 2.649 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)CC1 ZINC001216174125 1041970936 /nfs/dbraw/zinc/97/09/36/1041970936.db2.gz MGHMJTWAYWYCMN-UKRRQHHQSA-N 1 3 362.345 2.862 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001216490850 1042040430 /nfs/dbraw/zinc/04/04/30/1042040430.db2.gz RVWQZAGOGMWIGE-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC001216490850 1042040433 /nfs/dbraw/zinc/04/04/33/1042040433.db2.gz RVWQZAGOGMWIGE-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1 ZINC001216499292 1042042610 /nfs/dbraw/zinc/04/26/10/1042042610.db2.gz IXHHMSATGKOJND-OXQOHEQNSA-N 1 3 360.546 2.792 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](N)C2CCCCCC2)cc1 ZINC001263097599 1042101058 /nfs/dbraw/zinc/10/10/58/1042101058.db2.gz DAKZDDFUIDHZPX-LJQANCHMSA-N 1 3 360.502 2.813 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828888 1042138527 /nfs/dbraw/zinc/13/85/27/1042138527.db2.gz MUUDRDSIJBKUFQ-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1ccc(F)cc1F ZINC001216830790 1042139429 /nfs/dbraw/zinc/13/94/29/1042139429.db2.gz ZYAALESHNBMZBK-DNVCBOLYSA-N 1 3 365.468 2.777 20 0 FFADHO CCCOc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216851664 1042143669 /nfs/dbraw/zinc/14/36/69/1042143669.db2.gz FPHCDISZJZVONW-YLJYHZDGSA-N 1 3 361.530 2.752 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)c(C2CC2)c1 ZINC001276749989 1042173516 /nfs/dbraw/zinc/17/35/16/1042173516.db2.gz SPPRHZNFOZCBMG-WOJBJXKFSA-N 1 3 359.489 2.830 20 0 FFADHO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)CC1 ZINC001263739182 1042459446 /nfs/dbraw/zinc/45/94/46/1042459446.db2.gz KEAORTGWBYQJNG-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)n3)C2)CCC1 ZINC001264464972 1042682839 /nfs/dbraw/zinc/68/28/39/1042682839.db2.gz YOZPIRIADRBVPS-LSDHHAIUSA-N 1 3 364.921 2.594 20 0 FFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001264465879 1042682912 /nfs/dbraw/zinc/68/29/12/1042682912.db2.gz NGKOKZHJAZGXDG-FUHWJXTLSA-N 1 3 361.505 2.993 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cccc(Cl)c2F)C2CC2)CC[N@@H+]1C ZINC001265356113 1042853709 /nfs/dbraw/zinc/85/37/09/1042853709.db2.gz IPTGCXCMVDVONF-SRCQZFHVSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cccc(Cl)c2F)C2CC2)CC[N@H+]1C ZINC001265356113 1042853714 /nfs/dbraw/zinc/85/37/14/1042853714.db2.gz IPTGCXCMVDVONF-SRCQZFHVSA-N 1 3 367.896 2.804 20 0 FFADHO c1n[nH]cc1C[NH2+][C@]12CC[C@](NCc3ccc4c(c3)OCO4)(C1)CCC2 ZINC001279172762 1042930766 /nfs/dbraw/zinc/93/07/66/1042930766.db2.gz DPOZEKHUMSFPPY-VQTJNVASSA-N 1 3 354.454 2.863 20 0 FFADHO C[NH+](C)CCN1CCC2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001279329847 1043003539 /nfs/dbraw/zinc/00/35/39/1043003539.db2.gz DQHZOJVSGAQLOT-UHFFFAOYSA-N 1 3 357.420 2.655 20 0 FFADHO Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1Br ZINC001279363869 1043029354 /nfs/dbraw/zinc/02/93/54/1043029354.db2.gz ZFNXOTXPGVHHCF-IRXDYDNUSA-N 1 3 366.347 2.968 20 0 FFADHO Cc1cccnc1CN1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279379415 1043039202 /nfs/dbraw/zinc/03/92/02/1043039202.db2.gz JZEBIZZBOKZLQW-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cccnc1CN1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279379415 1043039204 /nfs/dbraw/zinc/03/92/04/1043039204.db2.gz JZEBIZZBOKZLQW-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccncc4F)C[C@H]3CC2)[nH]1 ZINC001279399726 1043055404 /nfs/dbraw/zinc/05/54/04/1043055404.db2.gz HRJZKCAYZDGSDL-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccncc4F)C[C@H]3CC2)[nH]1 ZINC001279399726 1043055418 /nfs/dbraw/zinc/05/54/18/1043055418.db2.gz HRJZKCAYZDGSDL-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc3cc(C)ccc3n2)CCC12C[NH2+]C2 ZINC001237430300 1043156655 /nfs/dbraw/zinc/15/66/55/1043156655.db2.gz LWSPVOWYXCWFBB-SFHVURJKSA-N 1 3 353.466 2.518 20 0 FFADHO Cc1ccc([C@H](C)CCN2CCC[C@@]3(C2)CN(CC[NH+](C)C)CCO3)o1 ZINC001279490175 1043176049 /nfs/dbraw/zinc/17/60/49/1043176049.db2.gz PQGSRCRGSSYVIQ-WIYYLYMNSA-N 1 3 363.546 2.810 20 0 FFADHO Cc1sc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)cc1Br ZINC001279580919 1043289012 /nfs/dbraw/zinc/28/90/12/1043289012.db2.gz NNDGWSCARLFSRF-XJKSGUPXSA-N 1 3 372.376 2.887 20 0 FFADHO Cc1sc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)cc1Br ZINC001279580919 1043289023 /nfs/dbraw/zinc/28/90/23/1043289023.db2.gz NNDGWSCARLFSRF-XJKSGUPXSA-N 1 3 372.376 2.887 20 0 FFADHO NC(=O)c1cccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001237696813 1043316614 /nfs/dbraw/zinc/31/66/14/1043316614.db2.gz XNLZMEPLJMPLCC-UHFFFAOYSA-N 1 3 364.493 2.669 20 0 FFADHO NC(=O)c1cccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001237696813 1043316624 /nfs/dbraw/zinc/31/66/24/1043316624.db2.gz XNLZMEPLJMPLCC-UHFFFAOYSA-N 1 3 364.493 2.669 20 0 FFADHO COCCOC[N@@H+]1CCC2(C1)CCN(Cc1ccc(Cl)cn1)CC2 ZINC001279631599 1043370645 /nfs/dbraw/zinc/37/06/45/1043370645.db2.gz PZGGXYDBGISHJY-UHFFFAOYSA-N 1 3 353.894 2.643 20 0 FFADHO COCCOC[N@H+]1CCC2(C1)CCN(Cc1ccc(Cl)cn1)CC2 ZINC001279631599 1043370652 /nfs/dbraw/zinc/37/06/52/1043370652.db2.gz PZGGXYDBGISHJY-UHFFFAOYSA-N 1 3 353.894 2.643 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCCc1cccc(F)c1)CC2 ZINC001279632209 1043372353 /nfs/dbraw/zinc/37/23/53/1043372353.db2.gz NCXUOMBYPVTXDF-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO COc1ncc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1C ZINC001279640190 1043383444 /nfs/dbraw/zinc/38/34/44/1043383444.db2.gz JJGDTIVFSAQJPK-UHFFFAOYSA-N 1 3 355.486 2.610 20 0 FFADHO COc1ncc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1C ZINC001279640190 1043383445 /nfs/dbraw/zinc/38/34/45/1043383445.db2.gz JJGDTIVFSAQJPK-UHFFFAOYSA-N 1 3 355.486 2.610 20 0 FFADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(F)c(N4CCN(C)CC4)c3)(C1)CCC2 ZINC001279662853 1043422121 /nfs/dbraw/zinc/42/21/21/1043422121.db2.gz VPGKVGPKEPEFLH-LEWJYISDSA-N 1 3 360.521 2.732 20 0 FFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2ccncc2)c1 ZINC001279664026 1043425166 /nfs/dbraw/zinc/42/51/66/1043425166.db2.gz OJPKSCIIKIDGGT-SZPZYZBQSA-N 1 3 350.510 2.959 20 0 FFADHO [O-]c1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279705853 1043499343 /nfs/dbraw/zinc/49/93/43/1043499343.db2.gz HBTBIGHOQWLKSH-HDICACEKSA-N 1 3 358.461 2.572 20 0 FFADHO [O-]c1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279705853 1043499348 /nfs/dbraw/zinc/49/93/48/1043499348.db2.gz HBTBIGHOQWLKSH-HDICACEKSA-N 1 3 358.461 2.572 20 0 FFADHO [O-]c1cc(F)cc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279705853 1043499354 /nfs/dbraw/zinc/49/93/54/1043499354.db2.gz HBTBIGHOQWLKSH-HDICACEKSA-N 1 3 358.461 2.572 20 0 FFADHO [O-]c1cc(F)cc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279705853 1043499363 /nfs/dbraw/zinc/49/93/63/1043499363.db2.gz HBTBIGHOQWLKSH-HDICACEKSA-N 1 3 358.461 2.572 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3cc(F)ccc3F)(C1)C2 ZINC001279829347 1043731421 /nfs/dbraw/zinc/73/14/21/1043731421.db2.gz ZBUQQCVDLVCBFC-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO Cc1noc2ccc(C[N@@H+]3CC[C@H]4[C@@H]3CCN4CCn3ccnc3)cc12 ZINC001279863154 1043791420 /nfs/dbraw/zinc/79/14/20/1043791420.db2.gz INEWOYVMHZNPQW-OALUTQOASA-N 1 3 351.454 2.682 20 0 FFADHO Cc1noc2ccc(C[N@H+]3CC[C@H]4[C@@H]3CCN4CCn3ccnc3)cc12 ZINC001279863154 1043791424 /nfs/dbraw/zinc/79/14/24/1043791424.db2.gz INEWOYVMHZNPQW-OALUTQOASA-N 1 3 351.454 2.682 20 0 FFADHO CCCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC001311397635 1043908778 /nfs/dbraw/zinc/90/87/78/1043908778.db2.gz VLBSSWOFYFOAJA-SFTDATJTSA-N 1 3 372.557 2.949 20 0 FFADHO CCCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC001311397635 1043908785 /nfs/dbraw/zinc/90/87/85/1043908785.db2.gz VLBSSWOFYFOAJA-SFTDATJTSA-N 1 3 372.557 2.949 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001311401520 1043910403 /nfs/dbraw/zinc/91/04/03/1043910403.db2.gz WUTCTHHZIPLZID-OTWHNJEPSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001311401520 1043910411 /nfs/dbraw/zinc/91/04/11/1043910411.db2.gz WUTCTHHZIPLZID-OTWHNJEPSA-N 1 3 360.546 2.927 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Cl)cc1Cl ZINC001239213651 1044072578 /nfs/dbraw/zinc/07/25/78/1044072578.db2.gz DGIYLNQCZAJRIO-LBPRGKRZSA-N 1 3 357.285 2.989 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1cccc(Cl)c1)C2 ZINC001280009840 1044083718 /nfs/dbraw/zinc/08/37/18/1044083718.db2.gz WOGDTNMOXYBPDO-YLJYHZDGSA-N 1 3 363.933 2.962 20 0 FFADHO Cc1ncsc1CN1CCCC2(CC[NH+](C[C@@H]3COCCO3)CC2)C1 ZINC001280029176 1044105434 /nfs/dbraw/zinc/10/54/34/1044105434.db2.gz UORBTBNVAHDXIY-QGZVFWFLSA-N 1 3 365.543 2.545 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC001312995555 1044206584 /nfs/dbraw/zinc/20/65/84/1044206584.db2.gz WZUIYEHFABUMCR-PZJWPPBQSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC001312995555 1044206588 /nfs/dbraw/zinc/20/65/88/1044206588.db2.gz WZUIYEHFABUMCR-PZJWPPBQSA-N 1 3 374.573 2.923 20 0 FFADHO CC(C)[C@@H]1N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC12CCCC2 ZINC001312993810 1044207980 /nfs/dbraw/zinc/20/79/80/1044207980.db2.gz CZIYBDZIZACXQG-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[C@@H]1N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC12CCCC2 ZINC001312993810 1044207988 /nfs/dbraw/zinc/20/79/88/1044207988.db2.gz CZIYBDZIZACXQG-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO Cc1cccc(CCN2CC[C@H]3C[C@]32C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC001280148531 1044302527 /nfs/dbraw/zinc/30/25/27/1044302527.db2.gz JIYDQBXNNWNIHQ-SIKLNZKXSA-N 1 3 355.526 2.555 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001313867915 1044435189 /nfs/dbraw/zinc/43/51/89/1044435189.db2.gz UFTJQFBWVOSUDW-HZPDHXFCSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001313867915 1044435194 /nfs/dbraw/zinc/43/51/94/1044435194.db2.gz UFTJQFBWVOSUDW-HZPDHXFCSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1CCN(c2ccc(-c3cc(C4C[NH2+]C4)nc(SC)n3)cc2)CC1 ZINC001241740793 1044582884 /nfs/dbraw/zinc/58/28/84/1044582884.db2.gz QTCDXHXCSROZGE-UHFFFAOYSA-N 1 3 369.538 2.694 20 0 FFADHO CCN1CCN(c2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001241744030 1044585203 /nfs/dbraw/zinc/58/52/03/1044585203.db2.gz LDYGIDUPFPFFFV-UHFFFAOYSA-N 1 3 350.510 2.905 20 0 FFADHO CC[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1cccnc1)N(C)C ZINC001316717219 1044824821 /nfs/dbraw/zinc/82/48/21/1044824821.db2.gz NXLKXLSMJSUOLC-YZGWKJHDSA-N 1 3 360.546 2.919 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001318716190 1044831278 /nfs/dbraw/zinc/83/12/78/1044831278.db2.gz BAFYKAYMSJQMHC-VQTJNVASSA-N 1 3 372.557 2.995 20 0 FFADHO CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(CCOC2CCC2)CC1 ZINC001317006550 1045050003 /nfs/dbraw/zinc/05/00/03/1045050003.db2.gz PJJHPSPJQGSYPO-YLJYHZDGSA-N 1 3 365.562 2.599 20 0 FFADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(CCOC2CCC2)CC1 ZINC001317006550 1045050013 /nfs/dbraw/zinc/05/00/13/1045050013.db2.gz PJJHPSPJQGSYPO-YLJYHZDGSA-N 1 3 365.562 2.599 20 0 FFADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@H](C)C1 ZINC001323395499 1045574812 /nfs/dbraw/zinc/57/48/12/1045574812.db2.gz BRULTCGOMPWEOB-CJNGLKHVSA-N 1 3 357.420 2.755 20 0 FFADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@H](C)C1 ZINC001323395499 1045574826 /nfs/dbraw/zinc/57/48/26/1045574826.db2.gz BRULTCGOMPWEOB-CJNGLKHVSA-N 1 3 357.420 2.755 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(Cl)c(F)c3)CC2)CC[N@@H+]1C ZINC001323443989 1045592975 /nfs/dbraw/zinc/59/29/75/1045592975.db2.gz TWXLJRLEWHYUCA-TZMCWYRMSA-N 1 3 353.869 2.558 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(Cl)c(F)c3)CC2)CC[N@H+]1C ZINC001323443989 1045592986 /nfs/dbraw/zinc/59/29/86/1045592986.db2.gz TWXLJRLEWHYUCA-TZMCWYRMSA-N 1 3 353.869 2.558 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC001321869235 1045848782 /nfs/dbraw/zinc/84/87/82/1045848782.db2.gz VEWUMDZRKLTBAV-RBUKOAKNSA-N 1 3 359.514 2.650 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cccn2C2CC2)CC1 ZINC001324428979 1046022481 /nfs/dbraw/zinc/02/24/81/1046022481.db2.gz NNGRKMMOHHNURF-UHFFFAOYSA-N 1 3 358.530 2.637 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001322845531 1046245361 /nfs/dbraw/zinc/24/53/61/1046245361.db2.gz NTSQQZZKMUYQIV-NSISKUIASA-N 1 3 373.545 2.779 20 0 FFADHO CC(C)(CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC001323118359 1046350960 /nfs/dbraw/zinc/35/09/60/1046350960.db2.gz GYHYSJJBODGVCZ-FQEVSTJZSA-N 1 3 370.541 2.703 20 0 FFADHO CC(C)(CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC001323118359 1046350972 /nfs/dbraw/zinc/35/09/72/1046350972.db2.gz GYHYSJJBODGVCZ-FQEVSTJZSA-N 1 3 370.541 2.703 20 0 FFADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCN(C(C)(C)C)CC2)cc1 ZINC001291890765 1048973290 /nfs/dbraw/zinc/97/32/90/1048973290.db2.gz JDHNHZZVSPZVKV-FLIBITNWSA-N 1 3 359.514 2.583 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccco1 ZINC001333588739 1048993580 /nfs/dbraw/zinc/99/35/80/1048993580.db2.gz YKCLSXKRFMQLPJ-ZWOKBUDYSA-N 1 3 362.518 2.884 20 0 FFADHO COc1ccc(F)cc1CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330823308 1049348220 /nfs/dbraw/zinc/34/82/20/1049348220.db2.gz VWLAZFXILSSXCV-HDMKZQKVSA-N 1 3 365.493 2.549 20 0 FFADHO COc1ccc(F)cc1CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330823308 1049348231 /nfs/dbraw/zinc/34/82/31/1049348231.db2.gz VWLAZFXILSSXCV-HDMKZQKVSA-N 1 3 365.493 2.549 20 0 FFADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1cccc2c1CNC2 ZINC001330988292 1049427318 /nfs/dbraw/zinc/42/73/18/1049427318.db2.gz JGBLDHQUVOBYTI-IBGZPJMESA-N 1 3 362.477 2.827 20 0 FFADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)c1cccc2c1CNC2 ZINC001330988292 1049427324 /nfs/dbraw/zinc/42/73/24/1049427324.db2.gz JGBLDHQUVOBYTI-IBGZPJMESA-N 1 3 362.477 2.827 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)s1 ZINC001316653002 1049497673 /nfs/dbraw/zinc/49/76/73/1049497673.db2.gz SHDUDCJIBFTUTE-GVDBMIGSSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)s1 ZINC001316653002 1049497675 /nfs/dbraw/zinc/49/76/75/1049497675.db2.gz SHDUDCJIBFTUTE-GVDBMIGSSA-N 1 3 364.559 2.700 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c2OCCNC3)c1 ZINC001341672447 1050294193 /nfs/dbraw/zinc/29/41/93/1050294193.db2.gz HEMGJUKGZYGFBL-UHFFFAOYSA-N 1 3 353.466 2.550 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c2OCCNC3)c1 ZINC001341672447 1050294200 /nfs/dbraw/zinc/29/42/00/1050294200.db2.gz HEMGJUKGZYGFBL-UHFFFAOYSA-N 1 3 353.466 2.550 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC001492257216 1050717300 /nfs/dbraw/zinc/71/73/00/1050717300.db2.gz OBYHHDDTOZZSDU-DYESRHJHSA-N 1 3 353.510 2.771 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCc2ccc3ccccc3c2)CC[N@H+]1C ZINC001492257216 1050717312 /nfs/dbraw/zinc/71/73/12/1050717312.db2.gz OBYHHDDTOZZSDU-DYESRHJHSA-N 1 3 353.510 2.771 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC001301867597 1051006620 /nfs/dbraw/zinc/00/66/20/1051006620.db2.gz NUGMCPDOUAWQLH-QIJUGHKUSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC001301867597 1051006631 /nfs/dbraw/zinc/00/66/31/1051006631.db2.gz NUGMCPDOUAWQLH-QIJUGHKUSA-N 1 3 355.526 2.699 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001342415920 1051012136 /nfs/dbraw/zinc/01/21/36/1051012136.db2.gz LLRNZEHESOKTDE-QGZVFWFLSA-N 1 3 363.465 2.538 20 0 FFADHO O=C(N1CCCN(CCCc2ccccc2)CC1)C1(C2CC[NH2+]CC2)CC1 ZINC001340957303 1051288477 /nfs/dbraw/zinc/28/84/77/1051288477.db2.gz ORXKIZVKGBHJCQ-UHFFFAOYSA-N 1 3 369.553 2.933 20 0 FFADHO CC(C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303746159 1051439316 /nfs/dbraw/zinc/43/93/16/1051439316.db2.gz JYLCJVSGLNPOEW-SFHVURJKSA-N 1 3 374.577 2.665 20 0 FFADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1CCN(CCc3ccccc3)C1)OCCO2 ZINC001342915552 1051524997 /nfs/dbraw/zinc/52/49/97/1051524997.db2.gz QHAHLKZRCBGJFL-VAMGGRTRSA-N 1 3 362.489 2.774 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001341226496 1051586873 /nfs/dbraw/zinc/58/68/73/1051586873.db2.gz RMQQEBCFKPFPCU-AOIWGVFYSA-N 1 3 372.561 2.560 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001341226496 1051586885 /nfs/dbraw/zinc/58/68/85/1051586885.db2.gz RMQQEBCFKPFPCU-AOIWGVFYSA-N 1 3 372.561 2.560 20 0 FFADHO N[C@@H](CC(F)F)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001342989960 1051606219 /nfs/dbraw/zinc/60/62/19/1051606219.db2.gz NMBAMMZIROHZBM-INIZCTEOSA-N 1 3 351.441 2.583 20 0 FFADHO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc3c(c2)OCCNC3)c1 ZINC001343430019 1052227322 /nfs/dbraw/zinc/22/73/22/1052227322.db2.gz FANLSCPMZYVKMU-UHFFFAOYSA-N 1 3 369.465 2.751 20 0 FFADHO CC(C)(O)CN1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001307421862 1052305268 /nfs/dbraw/zinc/30/52/68/1052305268.db2.gz XZBZBVMCTHAGJQ-UHFFFAOYSA-N 1 3 373.585 2.720 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)cc(Cl)n1 ZINC001345189759 1052310321 /nfs/dbraw/zinc/31/03/21/1052310321.db2.gz AENFCFYCRCDDGY-YOEHRIQHSA-N 1 3 372.900 2.988 20 0 FFADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1SC ZINC001308331981 1052446907 /nfs/dbraw/zinc/44/69/07/1052446907.db2.gz YOSWHPDUNBZNJX-SJORKVTESA-N 1 3 350.528 2.885 20 0 FFADHO COCC[C@@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC001308478255 1052459581 /nfs/dbraw/zinc/45/95/81/1052459581.db2.gz FYLIOYIWPASCJB-ROUUACIJSA-N 1 3 369.550 2.628 20 0 FFADHO COCC[C@@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC001308478255 1052459583 /nfs/dbraw/zinc/45/95/83/1052459583.db2.gz FYLIOYIWPASCJB-ROUUACIJSA-N 1 3 369.550 2.628 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC001308922656 1052519724 /nfs/dbraw/zinc/51/97/24/1052519724.db2.gz VDXMRJXMLZUOPG-UHFFFAOYSA-N 1 3 367.440 2.526 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2(C3CC[NH2+]CC3)CC2)C1 ZINC001346212582 1052790474 /nfs/dbraw/zinc/79/04/74/1052790474.db2.gz AIRVUJWWABMEQZ-VQIMIIECSA-N 1 3 356.514 2.653 20 0 FFADHO O=C(N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1cccc2c1CNC2 ZINC001344614673 1052860309 /nfs/dbraw/zinc/86/03/09/1052860309.db2.gz UDLRVGRFQHMLEK-LJQANCHMSA-N 1 3 363.461 2.666 20 0 FFADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)n1 ZINC001344761865 1052918695 /nfs/dbraw/zinc/91/86/95/1052918695.db2.gz RBDSKNIKBHWFNG-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](c4ccc(F)cc4)CC3=O)C[C@@H]2C1 ZINC001335251904 1053270730 /nfs/dbraw/zinc/27/07/30/1053270730.db2.gz HACLAJGZZIICFE-DOADOZAASA-N 1 3 359.489 2.761 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NC2CC3(CC([NH3+])C3)C2)N(C)C)cc1 ZINC001335666010 1053495931 /nfs/dbraw/zinc/49/59/31/1053495931.db2.gz NIGITBVWUFTQDD-HNSLBZJHSA-N 1 3 374.529 2.646 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCCC2)C[C@@H]1C(F)(F)F ZINC001336752027 1054193717 /nfs/dbraw/zinc/19/37/17/1054193717.db2.gz ZUNZVXFPGVTPPO-ZNMIVQPWSA-N 1 3 350.425 2.972 20 0 FFADHO Cc1c(N2CCN(C(C)(C)C)CC2)ncnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001348848168 1054959689 /nfs/dbraw/zinc/95/96/89/1054959689.db2.gz ZRLVQQIHYVKXNA-UHFFFAOYSA-N 1 3 374.577 2.626 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@](C)(c4ccccc4)CC3=O)C[C@H]2C1 ZINC001337806184 1055028060 /nfs/dbraw/zinc/02/80/60/1055028060.db2.gz QTVGQYPZLXTWNE-DBQGFPOUSA-N 1 3 355.526 2.796 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1 ZINC001352172144 1055242285 /nfs/dbraw/zinc/24/22/85/1055242285.db2.gz VOWBGYRQFRIBAI-HUUJSLGLSA-N 1 3 373.541 2.923 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(OCC(F)(F)F)c1 ZINC000849093937 1055636320 /nfs/dbraw/zinc/63/63/20/1055636320.db2.gz QOUZUUUZRDXKEQ-OAHLLOKOSA-N 1 3 372.435 2.768 20 0 FFADHO O[C@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC001357241502 1055838084 /nfs/dbraw/zinc/83/80/84/1055838084.db2.gz IMUKTURNHVTHOQ-HZSPNIEDSA-N 1 3 359.297 2.950 20 0 FFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2OCCNC3)C1 ZINC001353508129 1056473080 /nfs/dbraw/zinc/47/30/80/1056473080.db2.gz IQBHDJLPIIKNGN-VQIMIIECSA-N 1 3 365.477 2.734 20 0 FFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc3c2OCCNC3)C1 ZINC001353508129 1056473087 /nfs/dbraw/zinc/47/30/87/1056473087.db2.gz IQBHDJLPIIKNGN-VQIMIIECSA-N 1 3 365.477 2.734 20 0 FFADHO Cc1ccc(CNC(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000849104629 1056762095 /nfs/dbraw/zinc/76/20/95/1056762095.db2.gz UAGMGEPRAIUUBU-NRFANRHFSA-N 1 3 366.509 2.900 20 0 FFADHO [NH2+]=C(NCc1ccc2c(c1)COC2)NC1CCN(Cc2ccccc2)CC1 ZINC000849104689 1056762346 /nfs/dbraw/zinc/76/23/46/1056762346.db2.gz XMELBZMEWLYGFL-UHFFFAOYSA-N 1 3 364.493 2.995 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849274533 1056817490 /nfs/dbraw/zinc/81/74/90/1056817490.db2.gz ZVJOJKNEGCVDKT-LJQANCHMSA-N 1 3 374.598 2.988 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849274533 1056817501 /nfs/dbraw/zinc/81/75/01/1056817501.db2.gz ZVJOJKNEGCVDKT-LJQANCHMSA-N 1 3 374.598 2.988 20 0 FFADHO S=C(NCCN1CCCCC1)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001200442401 1058191683 /nfs/dbraw/zinc/19/16/83/1058191683.db2.gz KNGPZZDVQIFABA-UHFFFAOYSA-N 1 3 366.619 2.981 20 0 FFADHO S=C(NCCN1CCCCC1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001200446297 1058213658 /nfs/dbraw/zinc/21/36/58/1058213658.db2.gz LKTNLUOSMYBZIR-SFHVURJKSA-N 1 3 352.592 2.591 20 0 FFADHO S=C(NCCN1CCCCC1)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001200446297 1058213674 /nfs/dbraw/zinc/21/36/74/1058213674.db2.gz LKTNLUOSMYBZIR-SFHVURJKSA-N 1 3 352.592 2.591 20 0 FFADHO CCc1nnc(N2CCN(CC3CC3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001499189493 1058259626 /nfs/dbraw/zinc/25/96/26/1058259626.db2.gz BJRFIBNBVGOVKP-UHFFFAOYSA-N 1 3 374.577 2.637 20 0 FFADHO CCc1nnc(N2CCN(CC3CC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001499189493 1058259632 /nfs/dbraw/zinc/25/96/32/1058259632.db2.gz BJRFIBNBVGOVKP-UHFFFAOYSA-N 1 3 374.577 2.637 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001300436026 1058314222 /nfs/dbraw/zinc/31/42/22/1058314222.db2.gz PBQLONRFRNITTF-VQTJNVASSA-N 1 3 358.530 2.530 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001444924899 1058345655 /nfs/dbraw/zinc/34/56/55/1058345655.db2.gz RCBVGZKKANTBRF-OAQYLSRUSA-N 1 3 371.525 2.989 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001444924899 1058345678 /nfs/dbraw/zinc/34/56/78/1058345678.db2.gz RCBVGZKKANTBRF-OAQYLSRUSA-N 1 3 371.525 2.989 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001502245830 1058788845 /nfs/dbraw/zinc/78/88/45/1058788845.db2.gz VYUHAFGSQWNXMV-LNLFQRSKSA-N 1 3 362.566 2.626 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001502252818 1058794352 /nfs/dbraw/zinc/79/43/52/1058794352.db2.gz BZLKZUMHEHLBAM-SQNIBIBYSA-N 1 3 374.577 2.806 20 0 FFADHO [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1ccc([C@@H]4CNCCO4)cc1)(C3)C2 ZINC001354287623 1058812287 /nfs/dbraw/zinc/81/22/87/1058812287.db2.gz ZOOWMZCUGLUQBV-FHLOFIBASA-N 1 3 355.482 2.584 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001515820426 1059816328 /nfs/dbraw/zinc/81/63/28/1059816328.db2.gz CWLARHKFWVDQQK-ZWKOTPCHSA-N 1 3 374.577 2.635 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1)c1ccccc1 ZINC001460862314 1061131975 /nfs/dbraw/zinc/13/19/75/1061131975.db2.gz UBAABHLSBKVVOH-PCCBWWKXSA-N 1 3 355.526 2.916 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1)c1ccccc1 ZINC001460862314 1061131988 /nfs/dbraw/zinc/13/19/88/1061131988.db2.gz UBAABHLSBKVVOH-PCCBWWKXSA-N 1 3 355.526 2.916 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(C)nc2C2CCCCC2)CC1 ZINC001461171812 1061237112 /nfs/dbraw/zinc/23/71/12/1061237112.db2.gz GQRZJVLSZSQEKI-GOSISDBHSA-N 1 3 361.578 2.831 20 0 FFADHO C[NH+]1CCC(CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)CC1 ZINC001461887283 1061438532 /nfs/dbraw/zinc/43/85/32/1061438532.db2.gz USCCLYPRMIQXHM-SFHVURJKSA-N 1 3 355.482 2.969 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC001478178818 1061930916 /nfs/dbraw/zinc/93/09/16/1061930916.db2.gz UORLCFDRGCQRFS-LPHOPBHVSA-N 1 3 360.546 2.980 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC001478178818 1061930940 /nfs/dbraw/zinc/93/09/40/1061930940.db2.gz UORLCFDRGCQRFS-LPHOPBHVSA-N 1 3 360.546 2.980 20 0 FFADHO C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cc(-c3ccccc3)no2)C1 ZINC001479474208 1062447013 /nfs/dbraw/zinc/44/70/13/1062447013.db2.gz DWIIVQMZALSJEY-FUHWJXTLSA-N 1 3 370.497 2.668 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC001479490883 1062476059 /nfs/dbraw/zinc/47/60/59/1062476059.db2.gz OFANTHZZUVOVDO-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC001479490883 1062476072 /nfs/dbraw/zinc/47/60/72/1062476072.db2.gz OFANTHZZUVOVDO-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC001479490883 1062476078 /nfs/dbraw/zinc/47/60/78/1062476078.db2.gz OFANTHZZUVOVDO-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC001479490883 1062476093 /nfs/dbraw/zinc/47/60/93/1062476093.db2.gz OFANTHZZUVOVDO-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001479587142 1062588192 /nfs/dbraw/zinc/58/81/92/1062588192.db2.gz XVBBJCDRKWCESU-ZACQAIPSSA-N 1 3 359.505 2.979 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCc3ccc(CC)cc3)CC[C@@H]2C1 ZINC001479672211 1062784891 /nfs/dbraw/zinc/78/48/91/1062784891.db2.gz DKXIDRSHIKKEQN-YADHBBJMSA-N 1 3 371.569 2.914 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCc3ccc(CC)cc3)CC[C@@H]2C1 ZINC001479672211 1062784908 /nfs/dbraw/zinc/78/49/08/1062784908.db2.gz DKXIDRSHIKKEQN-YADHBBJMSA-N 1 3 371.569 2.914 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccc(OC)cc1 ZINC001479751247 1062989285 /nfs/dbraw/zinc/98/92/85/1062989285.db2.gz KDJZQHLEESZXAC-RYGJVYDSSA-N 1 3 370.497 2.591 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(C)Cc2cnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC001479770524 1062994182 /nfs/dbraw/zinc/99/41/82/1062994182.db2.gz FOFCBMMROUPFTQ-VQIMIIECSA-N 1 3 370.497 2.620 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(C)Cc2cnc(-c3ccccc3)o2)CC[N@H+]1C ZINC001479770524 1062994209 /nfs/dbraw/zinc/99/42/09/1062994209.db2.gz FOFCBMMROUPFTQ-VQIMIIECSA-N 1 3 370.497 2.620 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCC[NH+]1CCCC1 ZINC001495833388 1063552546 /nfs/dbraw/zinc/55/25/46/1063552546.db2.gz DPFMUPAGCUCYIJ-GOSISDBHSA-N 1 3 374.577 2.810 20 0 FFADHO CCCCCC[C@@H](O)CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001442665156 1063553528 /nfs/dbraw/zinc/55/35/28/1063553528.db2.gz QFSZJXLHIOHVKH-HXUWFJFHSA-N 1 3 367.578 2.773 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(CC[NH+](C)C)c2)o1 ZINC001442731083 1063559535 /nfs/dbraw/zinc/55/95/35/1063559535.db2.gz ZXPXWSUJTVVDBC-UHFFFAOYSA-N 1 3 357.498 2.896 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)N(C)C)cc1 ZINC001468017260 1063911237 /nfs/dbraw/zinc/91/12/37/1063911237.db2.gz HZELYNYVVJQKMM-AQNXPRMDSA-N 1 3 358.530 2.587 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)N(C)C)cc1 ZINC001468017260 1063911250 /nfs/dbraw/zinc/91/12/50/1063911250.db2.gz HZELYNYVVJQKMM-AQNXPRMDSA-N 1 3 358.530 2.587 20 0 FFADHO CC(C)(C)N1CCCN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC001575141338 1078110744 /nfs/dbraw/zinc/11/07/44/1078110744.db2.gz WWEOKYZYCOTKME-UHFFFAOYSA-N 1 3 350.532 2.557 20 0 FFADHO CC(C)N1CCC[C@H](N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001473777935 1065357420 /nfs/dbraw/zinc/35/74/20/1065357420.db2.gz KKSWVQSSZSCROD-URVUXULASA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)N1CCC[C@H](N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001473777935 1065357426 /nfs/dbraw/zinc/35/74/26/1065357426.db2.gz KKSWVQSSZSCROD-URVUXULASA-N 1 3 355.526 2.840 20 0 FFADHO C[C@H](NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)[C@H](c1ccccc1)N(C)C ZINC001576201006 1078204566 /nfs/dbraw/zinc/20/45/66/1078204566.db2.gz PRLYDFYKNWMYQW-DSKINZAPSA-N 1 3 358.530 2.853 20 0 FFADHO CCOc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1OC ZINC001474108642 1065456946 /nfs/dbraw/zinc/45/69/46/1065456946.db2.gz BZXULBNVALYFEX-HXUWFJFHSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1OC ZINC001474108642 1065456951 /nfs/dbraw/zinc/45/69/51/1065456951.db2.gz BZXULBNVALYFEX-HXUWFJFHSA-N 1 3 370.493 2.950 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001576753138 1078271156 /nfs/dbraw/zinc/27/11/56/1078271156.db2.gz KXHRTNPNIGLFQQ-APWZRJJASA-N 1 3 353.514 2.787 20 0 FFADHO CCC(C)(C)Cn1c(C2CC[NH2+]CC2)nnc1N1CCN(CC2CC2)CC1 ZINC001576941190 1078288028 /nfs/dbraw/zinc/28/80/28/1078288028.db2.gz QPFNNTOERDKOAN-UHFFFAOYSA-N 1 3 374.577 2.713 20 0 FFADHO CC[C@H]([NH3+])Cn1c(-c2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577131655 1078307657 /nfs/dbraw/zinc/30/76/57/1078307657.db2.gz OGVHYIONXVDJKQ-HNNXBMFYSA-N 1 3 374.508 2.742 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCCC[NH2+]1)c1ccsc1 ZINC001577680995 1078387045 /nfs/dbraw/zinc/38/70/45/1078387045.db2.gz INDPWDUMNKZAAV-IAGOWNOFSA-N 1 3 352.548 2.962 20 0 FFADHO CN(C)[C@H](Cn1c(C2CC2)nnc1N1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC001578409300 1078470973 /nfs/dbraw/zinc/47/09/73/1078470973.db2.gz WKUPHGBRYUHKRZ-GOSISDBHSA-N 1 3 372.492 2.525 20 0 FFADHO Cc1cc(NC(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)cc(N2CCN(C(C)C)CC2)c1 ZINC001579633213 1078652816 /nfs/dbraw/zinc/65/28/16/1078652816.db2.gz ZYIJXXHMDNESSN-CSODHUTKSA-N 1 3 356.514 2.591 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)N(CC[NH+]3CCCCCC3)C3CCC3)cc21 ZINC001580184865 1078762163 /nfs/dbraw/zinc/76/21/63/1078762163.db2.gz LVPBVQSBUMUVGO-KRWDZBQOSA-N 1 3 359.518 2.547 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC2(C[NH2+]C2)CC1 ZINC001580590252 1078831011 /nfs/dbraw/zinc/83/10/11/1078831011.db2.gz IEVSVCAYUKARSI-IBGZPJMESA-N 1 3 356.514 2.609 20 0 FFADHO Cc1nn(C)cc1[C@@H]1OCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001549373607 1073776102 /nfs/dbraw/zinc/77/61/02/1073776102.db2.gz RJPVTUYBOSCMPI-SFTDATJTSA-N 1 3 354.498 2.813 20 0 FFADHO CC[C@@H]1NCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001550473825 1074291212 /nfs/dbraw/zinc/29/12/12/1074291212.db2.gz ONDJMFQLFOVSGA-SFTDATJTSA-N 1 3 358.530 2.730 20 0 FFADHO NC(=O)[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C(F)(F)F ZINC001552078906 1074925266 /nfs/dbraw/zinc/92/52/66/1074925266.db2.gz FDAOPGGPSJLULB-DLBZAZTESA-N 1 3 369.431 2.768 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)c2)CC1 ZINC001552841262 1075157278 /nfs/dbraw/zinc/15/72/78/1075157278.db2.gz KPMLYNLWMONVRT-PZJWPPBQSA-N 1 3 356.514 2.688 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](C4CC4)C[C@H]3C3CC3)CC2)CC1 ZINC001552994918 1075188642 /nfs/dbraw/zinc/18/86/42/1075188642.db2.gz HAAGGGNUDGBPJY-RXVVDRJESA-N 1 3 374.573 2.765 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553425290 1075305218 /nfs/dbraw/zinc/30/52/18/1075305218.db2.gz FSWUNSAJYVWEEK-XUVXKRRUSA-N 1 3 356.514 2.607 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001556200928 1075715533 /nfs/dbraw/zinc/71/55/33/1075715533.db2.gz IXBQPQZBKVVPPO-PWRODBHTSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1CC[C@@H](C(N)=O)CN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559523690 1076168982 /nfs/dbraw/zinc/16/89/82/1076168982.db2.gz ASQZAWORQVOGBY-WIYYLYMNSA-N 1 3 357.542 2.917 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC001559567386 1076173278 /nfs/dbraw/zinc/17/32/78/1076173278.db2.gz BZKAMHYMGIBQPJ-WSTZPKSXSA-N 1 3 354.535 2.525 20 0 FFADHO C[C@H](C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1)CN(C)C ZINC001560487745 1076275799 /nfs/dbraw/zinc/27/57/99/1076275799.db2.gz LMQMFXKJTAZUDP-OAHLLOKOSA-N 1 3 350.894 2.903 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2oc(C(C)C)nc2C)C1)N(C)C ZINC001565914240 1076798461 /nfs/dbraw/zinc/79/84/61/1076798461.db2.gz AOCXDGOOELWRCV-GVDBMIGSSA-N 1 3 364.534 2.821 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C[N@@H+]2C1 ZINC001567120585 1077001998 /nfs/dbraw/zinc/00/19/98/1077001998.db2.gz RSPFNIDCNPYAAX-YVWKXTFCSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C[N@H+]2C1 ZINC001567120585 1077002001 /nfs/dbraw/zinc/00/20/01/1077002001.db2.gz RSPFNIDCNPYAAX-YVWKXTFCSA-N 1 3 371.525 2.702 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)NCc2cccc(F)c2F)CC[N@@H+]1C ZINC001567216820 1077006303 /nfs/dbraw/zinc/00/63/03/1077006303.db2.gz ZSMLVNZTBJCJIN-UKPHBRMFSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)NCc2cccc(F)c2F)CC[N@H+]1C ZINC001567216820 1077006307 /nfs/dbraw/zinc/00/63/07/1077006307.db2.gz ZSMLVNZTBJCJIN-UKPHBRMFSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1cc(F)ccc1OC ZINC001567962812 1077062317 /nfs/dbraw/zinc/06/23/17/1077062317.db2.gz VYEZXJJRAUXUIO-OKZBNKHCSA-N 1 3 365.493 2.549 20 0 FFADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1cc(F)ccc1OC ZINC001567962812 1077062320 /nfs/dbraw/zinc/06/23/20/1077062320.db2.gz VYEZXJJRAUXUIO-OKZBNKHCSA-N 1 3 365.493 2.549 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CCNCc2ocnc2C)CC[N@@H+]1C ZINC001568385884 1077090122 /nfs/dbraw/zinc/09/01/22/1077090122.db2.gz POSSVFSHGMIEIP-OKZBNKHCSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CCNCc2ocnc2C)CC[N@H+]1C ZINC001568385884 1077090127 /nfs/dbraw/zinc/09/01/27/1077090127.db2.gz POSSVFSHGMIEIP-OKZBNKHCSA-N 1 3 362.518 2.574 20 0 FFADHO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589963543 1080906848 /nfs/dbraw/zinc/90/68/48/1080906848.db2.gz KVZWFDFZXZUJHI-ZDUSSCGKSA-N 1 3 358.465 2.778 20 0 FFADHO Cc1cc(Br)ccc1NC(=O)CN(C)CC1CC[NH2+]CC1 ZINC000094024566 250052255 /nfs/dbraw/zinc/05/22/55/250052255.db2.gz WLDYFCTZHZOMLH-UHFFFAOYSA-N 1 3 354.292 2.627 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153521238 251149027 /nfs/dbraw/zinc/14/90/27/251149027.db2.gz IQSWDOVPMKOZSY-SFTDATJTSA-N 1 3 371.525 2.583 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000153521238 251149031 /nfs/dbraw/zinc/14/90/31/251149031.db2.gz IQSWDOVPMKOZSY-SFTDATJTSA-N 1 3 371.525 2.583 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000267371079 251335994 /nfs/dbraw/zinc/33/59/94/251335994.db2.gz KDXPNGKLUXGRRV-AYWYSENESA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000267371079 251335997 /nfs/dbraw/zinc/33/59/97/251335997.db2.gz KDXPNGKLUXGRRV-AYWYSENESA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268783964 251383830 /nfs/dbraw/zinc/38/38/30/251383830.db2.gz RCAXWNICWPNUHR-ZYSHUDEJSA-N 1 3 363.527 2.504 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268783962 251384529 /nfs/dbraw/zinc/38/45/29/251384529.db2.gz RCAXWNICWPNUHR-KFKAGJAMSA-N 1 3 363.527 2.504 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000272518296 252058282 /nfs/dbraw/zinc/05/82/82/252058282.db2.gz YTOYSPLNLSMYMG-VQTJNVASSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272815791 252138430 /nfs/dbraw/zinc/13/84/30/252138430.db2.gz OAKLGRNLADMHRS-MHADKKCISA-N 1 3 371.569 2.864 20 0 FFADHO COc1cccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000273180853 252242892 /nfs/dbraw/zinc/24/28/92/252242892.db2.gz DZDCACZGLMTACM-HXUWFJFHSA-N 1 3 359.514 2.680 20 0 FFADHO COc1cccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000273180848 252243438 /nfs/dbraw/zinc/24/34/38/252243438.db2.gz DZDCACZGLMTACM-FQEVSTJZSA-N 1 3 359.514 2.680 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000285730692 257001434 /nfs/dbraw/zinc/00/14/34/257001434.db2.gz ODPDQQDSTRLLCL-HXUWFJFHSA-N 1 3 359.514 2.650 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000275587803 256026940 /nfs/dbraw/zinc/02/69/40/256026940.db2.gz FEYCBNHYRIDGJT-UHFFFAOYSA-N 1 3 374.529 2.557 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cccc(Br)c1 ZINC000277180490 256169412 /nfs/dbraw/zinc/16/94/12/256169412.db2.gz TUVGPXVWSIVPGF-JQHSSLGASA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cccc(Br)c1 ZINC000277180490 256169414 /nfs/dbraw/zinc/16/94/14/256169414.db2.gz TUVGPXVWSIVPGF-JQHSSLGASA-N 1 3 367.331 2.817 20 0 FFADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000276959747 256146594 /nfs/dbraw/zinc/14/65/94/256146594.db2.gz WNIVVUTVXGLYDD-OAHLLOKOSA-N 1 3 353.532 2.831 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000278350396 256302938 /nfs/dbraw/zinc/30/29/38/256302938.db2.gz ATJVGQDGZGQQBW-DLBZAZTESA-N 1 3 361.486 2.795 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000278350396 256302939 /nfs/dbraw/zinc/30/29/39/256302939.db2.gz ATJVGQDGZGQQBW-DLBZAZTESA-N 1 3 361.486 2.795 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000278464989 256315823 /nfs/dbraw/zinc/31/58/23/256315823.db2.gz FYFQAFGSGIQYOS-WMZOPIPTSA-N 1 3 362.518 2.511 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000278464989 256315824 /nfs/dbraw/zinc/31/58/24/256315824.db2.gz FYFQAFGSGIQYOS-WMZOPIPTSA-N 1 3 362.518 2.511 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000278757033 256344801 /nfs/dbraw/zinc/34/48/01/256344801.db2.gz XFXZUJQABROANO-DLBZAZTESA-N 1 3 361.486 2.795 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000278757033 256344802 /nfs/dbraw/zinc/34/48/02/256344802.db2.gz XFXZUJQABROANO-DLBZAZTESA-N 1 3 361.486 2.795 20 0 FFADHO c1c[nH]c(C2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)n1 ZINC000278769745 256345985 /nfs/dbraw/zinc/34/59/85/256345985.db2.gz YQGFYCZMSGMCDN-HXUWFJFHSA-N 1 3 354.498 2.880 20 0 FFADHO c1c[nH]c(C2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)n1 ZINC000278769745 256345987 /nfs/dbraw/zinc/34/59/87/256345987.db2.gz YQGFYCZMSGMCDN-HXUWFJFHSA-N 1 3 354.498 2.880 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000279165953 256389110 /nfs/dbraw/zinc/38/91/10/256389110.db2.gz GMVYHPXALSQFRY-HOCLYGCPSA-N 1 3 353.457 2.585 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000279165953 256389112 /nfs/dbraw/zinc/38/91/12/256389112.db2.gz GMVYHPXALSQFRY-HOCLYGCPSA-N 1 3 353.457 2.585 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000286356166 257033035 /nfs/dbraw/zinc/03/30/35/257033035.db2.gz YZYAALRXPHNBEM-KZNAEPCWSA-N 1 3 357.502 2.807 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCCN1CCN(c2ccccc2)CC1 ZINC000286722145 257051553 /nfs/dbraw/zinc/05/15/53/257051553.db2.gz CLUBMWSLWCDBJV-IRLDBZIGSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000286722145 257051554 /nfs/dbraw/zinc/05/15/54/257051554.db2.gz CLUBMWSLWCDBJV-IRLDBZIGSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000286722145 257051555 /nfs/dbraw/zinc/05/15/55/257051555.db2.gz CLUBMWSLWCDBJV-IRLDBZIGSA-N 1 3 356.558 2.757 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000286961852 257063996 /nfs/dbraw/zinc/06/39/96/257063996.db2.gz NHTFGGCZOCHRJN-IBGZPJMESA-N 1 3 353.938 2.769 20 0 FFADHO C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288322173 257175271 /nfs/dbraw/zinc/17/52/71/257175271.db2.gz FNNFPOWHJRUIIN-JXFKEZNVSA-N 1 3 358.530 2.851 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289680658 257293426 /nfs/dbraw/zinc/29/34/26/257293426.db2.gz APZIPNBBMNPCEB-OAQYLSRUSA-N 1 3 355.526 2.747 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C(C)C)c(C)c2)CC1 ZINC000289848735 257302851 /nfs/dbraw/zinc/30/28/51/257302851.db2.gz CATQHMLODYKREK-UYAOXDASSA-N 1 3 358.530 2.710 20 0 FFADHO C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000290271120 257323173 /nfs/dbraw/zinc/32/31/73/257323173.db2.gz LLYRPRFKPDPOSY-DLVCFXQMSA-N 1 3 356.466 2.772 20 0 FFADHO COC(=O)c1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)n(C)c1C ZINC000291311331 257397165 /nfs/dbraw/zinc/39/71/65/257397165.db2.gz XRPONJVWNMOADO-UHFFFAOYSA-N 1 3 356.470 2.521 20 0 FFADHO CN(c1ccccc1CN1CC[C@@H](n2cccn2)C1)C1CC[NH+](C)CC1 ZINC000291302323 257396895 /nfs/dbraw/zinc/39/68/95/257396895.db2.gz QTYXXQYQTMYKIB-HXUWFJFHSA-N 1 3 353.514 2.861 20 0 FFADHO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294154549 257576206 /nfs/dbraw/zinc/57/62/06/257576206.db2.gz HSLNXANUEPZREN-SFHVURJKSA-N 1 3 350.466 2.725 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000297803045 257861184 /nfs/dbraw/zinc/86/11/84/257861184.db2.gz MQRAXXUUNSEDKD-SFHVURJKSA-N 1 3 364.559 2.795 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333124557 258251206 /nfs/dbraw/zinc/25/12/06/258251206.db2.gz AXDJUPYJJKDVTI-KRWDZBQOSA-N 1 3 368.591 2.509 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333124559 258251330 /nfs/dbraw/zinc/25/13/30/258251330.db2.gz AXDJUPYJJKDVTI-QGZVFWFLSA-N 1 3 368.591 2.509 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368941520 512146974 /nfs/dbraw/zinc/14/69/74/512146974.db2.gz JKXPNDSMFVOZGZ-VQTJNVASSA-N 1 3 358.530 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368941520 512146977 /nfs/dbraw/zinc/14/69/77/512146977.db2.gz JKXPNDSMFVOZGZ-VQTJNVASSA-N 1 3 358.530 2.907 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065518381 506315627 /nfs/dbraw/zinc/31/56/27/506315627.db2.gz CWBQDCVGVOBLMB-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CCN(C4CC4)CC3)C2)CC1 ZINC000368981549 512167231 /nfs/dbraw/zinc/16/72/31/512167231.db2.gz VUBJEIBTRNGIHR-SFHVURJKSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000373102945 512172380 /nfs/dbraw/zinc/17/23/80/512172380.db2.gz XPBKSAWZBFKOFB-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO COc1ccccc1CNC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866413 512225265 /nfs/dbraw/zinc/22/52/65/512225265.db2.gz QOYDXTIEYQBXRG-QGZVFWFLSA-N 1 3 359.514 2.508 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000054763814 506615558 /nfs/dbraw/zinc/61/55/58/506615558.db2.gz BYFOIJYLOFUTJL-LJQANCHMSA-N 1 3 360.546 2.930 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000054763814 506615567 /nfs/dbraw/zinc/61/55/67/506615567.db2.gz BYFOIJYLOFUTJL-LJQANCHMSA-N 1 3 360.546 2.930 20 0 FFADHO NC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)Cc2ccccc2C1 ZINC000371264053 512296039 /nfs/dbraw/zinc/29/60/39/512296039.db2.gz HOBNSLCQHLFOJI-SFHVURJKSA-N 1 3 355.526 2.597 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000377520337 512308509 /nfs/dbraw/zinc/30/85/09/512308509.db2.gz SPXRURFWAGUYPG-CEXWTWQISA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000377520337 512308515 /nfs/dbraw/zinc/30/85/15/512308515.db2.gz SPXRURFWAGUYPG-CEXWTWQISA-N 1 3 350.551 2.624 20 0 FFADHO CN(CCNC(=O)NCc1ccc(C[NH+](C)C)cc1)Cc1ccccc1 ZINC000045370107 506955561 /nfs/dbraw/zinc/95/55/61/506955561.db2.gz MUSHRHGXHNIIQN-UHFFFAOYSA-N 1 3 354.498 2.679 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(F)cc4)CCC3)CC2)CC1 ZINC000050799431 507713433 /nfs/dbraw/zinc/71/34/33/507713433.db2.gz YISGDFZOMPCTAV-UHFFFAOYSA-N 1 3 373.516 2.922 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCCN(C)C2)c2ccccc2)CC1 ZINC000052582047 507814500 /nfs/dbraw/zinc/81/45/00/507814500.db2.gz HCMNNQRFQVZRLW-WOJBJXKFSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000108549476 507903043 /nfs/dbraw/zinc/90/30/43/507903043.db2.gz VSSXVVVYQWQBTC-GOSISDBHSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108549476 507903045 /nfs/dbraw/zinc/90/30/45/507903045.db2.gz VSSXVVVYQWQBTC-GOSISDBHSA-N 1 3 358.530 2.600 20 0 FFADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C(C)(C)O1 ZINC000090028458 507903201 /nfs/dbraw/zinc/90/32/01/507903201.db2.gz WNKMQBGPMQPNBG-LJQANCHMSA-N 1 3 373.541 2.948 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468770 507922034 /nfs/dbraw/zinc/92/20/34/507922034.db2.gz PUEQODXUOWQEDT-UWVAXJGDSA-N 1 3 364.965 2.780 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468770 507922037 /nfs/dbraw/zinc/92/20/37/507922037.db2.gz PUEQODXUOWQEDT-UWVAXJGDSA-N 1 3 364.965 2.780 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000073474613 507923323 /nfs/dbraw/zinc/92/33/23/507923323.db2.gz YEYOPXRGGSKZOZ-LJQANCHMSA-N 1 3 356.514 2.693 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521746 507925573 /nfs/dbraw/zinc/92/55/73/507925573.db2.gz JDZSOISEWHVZQI-YESZJQIVSA-N 1 3 372.431 2.953 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521746 507925574 /nfs/dbraw/zinc/92/55/74/507925574.db2.gz JDZSOISEWHVZQI-YESZJQIVSA-N 1 3 372.431 2.953 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000079167114 507939951 /nfs/dbraw/zinc/93/99/51/507939951.db2.gz NLJMCLDNDDHFFP-NRFANRHFSA-N 1 3 374.573 2.969 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2)CC1 ZINC000073643334 507941402 /nfs/dbraw/zinc/94/14/02/507941402.db2.gz BOIRAENPPGRQAW-UHFFFAOYSA-N 1 3 372.557 2.632 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000079251008 507947841 /nfs/dbraw/zinc/94/78/41/507947841.db2.gz DJSNRUQZPTZEOJ-YJBOKZPZSA-N 1 3 364.559 2.915 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000079251008 507947843 /nfs/dbraw/zinc/94/78/43/507947843.db2.gz DJSNRUQZPTZEOJ-YJBOKZPZSA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000074309022 508009895 /nfs/dbraw/zinc/00/98/95/508009895.db2.gz NBKVZHLGPPDLBB-KURKYZTESA-N 1 3 370.607 2.718 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000074309022 508009896 /nfs/dbraw/zinc/00/98/96/508009896.db2.gz NBKVZHLGPPDLBB-KURKYZTESA-N 1 3 370.607 2.718 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1nccs1 ZINC000074364931 508016740 /nfs/dbraw/zinc/01/67/40/508016740.db2.gz BHMRCTDDANQITN-JKSUJKDBSA-N 1 3 367.563 2.652 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1nccs1 ZINC000074364931 508016741 /nfs/dbraw/zinc/01/67/41/508016741.db2.gz BHMRCTDDANQITN-JKSUJKDBSA-N 1 3 367.563 2.652 20 0 FFADHO CCn1nccc1CCN(C)[C@@H]1CCC[N@H+](CCc2ccnn2CC)CC1 ZINC000367182222 512373339 /nfs/dbraw/zinc/37/33/39/512373339.db2.gz XZTHVLJGZUPBNS-LJQANCHMSA-N 1 3 372.561 2.691 20 0 FFADHO CCn1nccc1CCN(C)[C@@H]1CCC[N@@H+](CCc2ccnn2CC)CC1 ZINC000367182222 512373341 /nfs/dbraw/zinc/37/33/41/512373341.db2.gz XZTHVLJGZUPBNS-LJQANCHMSA-N 1 3 372.561 2.691 20 0 FFADHO CC[NH+]1CCC(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000110609981 508036924 /nfs/dbraw/zinc/03/69/24/508036924.db2.gz YCKMCQHNZOSDTL-GOSISDBHSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000080166938 508046315 /nfs/dbraw/zinc/04/63/15/508046315.db2.gz CYJJSXZWMRKTBH-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCC2CC[NH+](C)CC2)CC1 ZINC000092389493 508067462 /nfs/dbraw/zinc/06/74/62/508067462.db2.gz YJGTZMBSWSHCRL-UHFFFAOYSA-N 1 3 350.938 2.523 20 0 FFADHO CC(=O)Nc1ccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587233 508084704 /nfs/dbraw/zinc/08/47/04/508084704.db2.gz MVDRCBHHIKVNAO-CALCHBBNSA-N 1 3 359.514 2.966 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000111847481 508129491 /nfs/dbraw/zinc/12/94/91/508129491.db2.gz WMAYYJJSYBAOSO-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000075802427 508134323 /nfs/dbraw/zinc/13/43/23/508134323.db2.gz AYUWWWKNYQMYGC-UHFFFAOYSA-N 1 3 361.530 2.754 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000081292779 508157503 /nfs/dbraw/zinc/15/75/03/508157503.db2.gz GKDVZEAZIHJVAE-UHFFFAOYSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000081292779 508157505 /nfs/dbraw/zinc/15/75/05/508157505.db2.gz GKDVZEAZIHJVAE-UHFFFAOYSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N2CCSCC2)CCCCC1)[N@H+](C)C1CC1 ZINC000112215748 508161386 /nfs/dbraw/zinc/16/13/86/508161386.db2.gz BKFITYKKRKVPNN-INIZCTEOSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N2CCSCC2)CCCCC1)[N@@H+](C)C1CC1 ZINC000112215748 508161388 /nfs/dbraw/zinc/16/13/88/508161388.db2.gz BKFITYKKRKVPNN-INIZCTEOSA-N 1 3 368.591 2.520 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)ccc1OC ZINC000076330967 508187437 /nfs/dbraw/zinc/18/74/37/508187437.db2.gz MVPVWUSIDVVPII-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)ccc1OC ZINC000076330967 508187439 /nfs/dbraw/zinc/18/74/39/508187439.db2.gz MVPVWUSIDVVPII-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000101518516 508242217 /nfs/dbraw/zinc/24/22/17/508242217.db2.gz WKLCXQLFMYOXGM-SFHVURJKSA-N 1 3 370.541 2.893 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000101518516 508242218 /nfs/dbraw/zinc/24/22/18/508242218.db2.gz WKLCXQLFMYOXGM-SFHVURJKSA-N 1 3 370.541 2.893 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000102012434 508264942 /nfs/dbraw/zinc/26/49/42/508264942.db2.gz YQBWONROPNDHRN-INIZCTEOSA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000102012434 508264945 /nfs/dbraw/zinc/26/49/45/508264945.db2.gz YQBWONROPNDHRN-INIZCTEOSA-N 1 3 364.559 2.744 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2)c1 ZINC000085289797 508302399 /nfs/dbraw/zinc/30/23/99/508302399.db2.gz HAFCKEADHCVOBB-LJQANCHMSA-N 1 3 374.573 2.600 20 0 FFADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085365212 508303589 /nfs/dbraw/zinc/30/35/89/508303589.db2.gz QRAZCQATJBSYCT-GOSISDBHSA-N 1 3 360.546 2.880 20 0 FFADHO CC[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000103305271 508305971 /nfs/dbraw/zinc/30/59/71/508305971.db2.gz CZBPEEBOVQHPMK-OAQYLSRUSA-N 1 3 372.557 2.854 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N(C)CC1CCN(C)CC1)[NH+]1CCCC1 ZINC000103601164 508318948 /nfs/dbraw/zinc/31/89/48/508318948.db2.gz OALMXHVOFOPSLZ-LJQANCHMSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc2ccccc21 ZINC000114501922 508323375 /nfs/dbraw/zinc/32/33/75/508323375.db2.gz CHJZOXOJFRUNJG-IBGZPJMESA-N 1 3 355.526 2.881 20 0 FFADHO CC(C)[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1CCCCC1 ZINC000104405765 508334054 /nfs/dbraw/zinc/33/40/54/508334054.db2.gz XTZKEKYGHFIIQC-HXUWFJFHSA-N 1 3 361.530 2.754 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000077759117 508367385 /nfs/dbraw/zinc/36/73/85/508367385.db2.gz KGUSJALRZFHRFT-KRWDZBQOSA-N 1 3 354.926 2.926 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000088599403 508377967 /nfs/dbraw/zinc/37/79/67/508377967.db2.gz ZXNXAERRBPBSBU-GOSISDBHSA-N 1 3 362.518 2.617 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000088599403 508377969 /nfs/dbraw/zinc/37/79/69/508377969.db2.gz ZXNXAERRBPBSBU-GOSISDBHSA-N 1 3 362.518 2.617 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCCn2ccnc2)CC1 ZINC000088686909 508380952 /nfs/dbraw/zinc/38/09/52/508380952.db2.gz QKXUTITZQNHTQB-UHFFFAOYSA-N 1 3 355.530 2.985 20 0 FFADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000088680436 508380974 /nfs/dbraw/zinc/38/09/74/508380974.db2.gz SQOMTWMYBXQAFK-OAQYLSRUSA-N 1 3 351.494 2.887 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000133918646 508468584 /nfs/dbraw/zinc/46/85/84/508468584.db2.gz JYIBNHVTJBJTDT-QGZVFWFLSA-N 1 3 361.534 2.638 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000133918646 508468586 /nfs/dbraw/zinc/46/85/86/508468586.db2.gz JYIBNHVTJBJTDT-QGZVFWFLSA-N 1 3 361.534 2.638 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000116546260 508528387 /nfs/dbraw/zinc/52/83/87/508528387.db2.gz IFUPRMWNZJWAJC-KRWDZBQOSA-N 1 3 358.530 2.853 20 0 FFADHO O[C@@H]1[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCC12CCOCC2 ZINC000367248258 512405082 /nfs/dbraw/zinc/40/50/82/512405082.db2.gz ZACXOLZGXFQXJA-FXAWDEMLSA-N 1 3 350.547 2.941 20 0 FFADHO O[C@@H]1[C@H](CNC2CC[NH+](C3CCCCC3)CC2)CCC12CCOCC2 ZINC000367248258 512405087 /nfs/dbraw/zinc/40/50/87/512405087.db2.gz ZACXOLZGXFQXJA-FXAWDEMLSA-N 1 3 350.547 2.941 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000157787369 508611891 /nfs/dbraw/zinc/61/18/91/508611891.db2.gz PZEQIEMJGNFTFH-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000157787369 508611894 /nfs/dbraw/zinc/61/18/94/508611894.db2.gz PZEQIEMJGNFTFH-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000153712719 508632742 /nfs/dbraw/zinc/63/27/42/508632742.db2.gz GBWAUDRKZJSFTN-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000157954116 508638166 /nfs/dbraw/zinc/63/81/66/508638166.db2.gz DEWSVZIBNWVLBL-IRXDYDNUSA-N 1 3 367.559 2.757 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000157954116 508638168 /nfs/dbraw/zinc/63/81/68/508638168.db2.gz DEWSVZIBNWVLBL-IRXDYDNUSA-N 1 3 367.559 2.757 20 0 FFADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000158096467 508656909 /nfs/dbraw/zinc/65/69/09/508656909.db2.gz FUCJITCVLRFZID-UXHICEINSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCC(C)CC1 ZINC000129194011 508695771 /nfs/dbraw/zinc/69/57/71/508695771.db2.gz LLIOXULOGGPUJS-QWFCFKBJSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCC(C)CC1 ZINC000129194011 508695775 /nfs/dbraw/zinc/69/57/75/508695775.db2.gz LLIOXULOGGPUJS-QWFCFKBJSA-N 1 3 362.562 2.765 20 0 FFADHO COc1cccc(NC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)c1 ZINC000375594680 512412405 /nfs/dbraw/zinc/41/24/05/512412405.db2.gz BQUZKASIRQUSHE-UHFFFAOYSA-N 1 3 374.573 2.988 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123720814 508729065 /nfs/dbraw/zinc/72/90/65/508729065.db2.gz BLQFBLOTDPNBGD-OAHLLOKOSA-N 1 3 361.511 2.507 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000154500792 508797324 /nfs/dbraw/zinc/79/73/24/508797324.db2.gz MBGQDBMBXWNEQA-LJQANCHMSA-N 1 3 372.557 2.882 20 0 FFADHO Cc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c(OCCN(C)C)c1 ZINC000154582310 508813539 /nfs/dbraw/zinc/81/35/39/508813539.db2.gz QFQFEELZQXECMH-UHFFFAOYSA-N 1 3 362.518 2.930 20 0 FFADHO Cc1ccc(NC(=O)NCCN2CCC(C)CC2)c(OCC[NH+](C)C)c1 ZINC000154607250 508818013 /nfs/dbraw/zinc/81/80/13/508818013.db2.gz HWKIKIBRKMCVPB-UHFFFAOYSA-N 1 3 362.518 2.789 20 0 FFADHO C[C@@H](NCCNC(=O)c1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000130908861 508864019 /nfs/dbraw/zinc/86/40/19/508864019.db2.gz BHMSYIQITKGYSI-MRXNPFEDSA-N 1 3 373.472 2.847 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000119902310 508886977 /nfs/dbraw/zinc/88/69/77/508886977.db2.gz WEOPLIGFSQKYCP-UHFFFAOYSA-N 1 3 372.557 2.679 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000120082166 508924190 /nfs/dbraw/zinc/92/41/90/508924190.db2.gz ZMWVMEWLEUETRX-UHFFFAOYSA-N 1 3 364.387 2.802 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000125451892 508985232 /nfs/dbraw/zinc/98/52/32/508985232.db2.gz GCTFJPQQKCDBAV-ZWKOTPCHSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000132812124 509078154 /nfs/dbraw/zinc/07/81/54/509078154.db2.gz ZFUZNNWJSDULML-SJORKVTESA-N 1 3 373.497 2.795 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccnc1-c1ccccc1 ZINC000133205212 509132425 /nfs/dbraw/zinc/13/24/25/509132425.db2.gz RPKYBUXCPUHLLK-UHFFFAOYSA-N 1 3 355.486 2.706 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000121361263 509169447 /nfs/dbraw/zinc/16/94/47/509169447.db2.gz QZXULFMPSRCFSP-BDTNDASRSA-N 1 3 369.553 2.871 20 0 FFADHO O=c1c2ccccc2ncn1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178916617 509181465 /nfs/dbraw/zinc/18/14/65/509181465.db2.gz JXRZOLGEQGMQBH-UHFFFAOYSA-N 1 3 368.525 2.985 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CC1 ZINC000182346764 509187914 /nfs/dbraw/zinc/18/79/14/509187914.db2.gz LZHYAQKICKSSHF-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195643595 509215090 /nfs/dbraw/zinc/21/50/90/509215090.db2.gz NWJZASPONLZITO-GUDVDZBRSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000178996288 509217198 /nfs/dbraw/zinc/21/71/98/509217198.db2.gz ZTHOHIOIYDQPAB-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000178996288 509217208 /nfs/dbraw/zinc/21/72/08/509217208.db2.gz ZTHOHIOIYDQPAB-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248146591 509247746 /nfs/dbraw/zinc/24/77/46/509247746.db2.gz ZTHOHIOIYDQPAB-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248146591 509247749 /nfs/dbraw/zinc/24/77/49/509247749.db2.gz ZTHOHIOIYDQPAB-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000176040062 509288623 /nfs/dbraw/zinc/28/86/23/509288623.db2.gz JYONSZQBPUIUMK-BZSNNMDCSA-N 1 3 373.541 2.521 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000248394289 509289633 /nfs/dbraw/zinc/28/96/33/509289633.db2.gz FOQBLYFBVIYCAY-HSALFYBXSA-N 1 3 367.493 2.900 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000248394289 509289638 /nfs/dbraw/zinc/28/96/38/509289638.db2.gz FOQBLYFBVIYCAY-HSALFYBXSA-N 1 3 367.493 2.900 20 0 FFADHO O=C(NCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000248394289 509289640 /nfs/dbraw/zinc/28/96/40/509289640.db2.gz FOQBLYFBVIYCAY-HSALFYBXSA-N 1 3 367.493 2.900 20 0 FFADHO C[C@@H]1CCCN(C(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248398935 509294536 /nfs/dbraw/zinc/29/45/36/509294536.db2.gz OEFRABNMFDZIDF-GUDVDZBRSA-N 1 3 357.542 2.991 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248399674 509295259 /nfs/dbraw/zinc/29/52/59/509295259.db2.gz PDJQHIMUWMCVPT-VPAKFMSCSA-N 1 3 354.535 2.833 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C1CC[NH2+]CC1 ZINC000182642295 509346638 /nfs/dbraw/zinc/34/66/38/509346638.db2.gz UEZSMNWMUIASPA-LJQANCHMSA-N 1 3 367.497 2.577 20 0 FFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000179398858 509420852 /nfs/dbraw/zinc/42/08/52/509420852.db2.gz FVCMPMWWXYZSDR-KRWDZBQOSA-N 1 3 359.470 2.550 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163930850 509441643 /nfs/dbraw/zinc/44/16/43/509441643.db2.gz JIHAVYMSMXLSGK-XPNTWCBSSA-N 1 3 372.601 2.903 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000173189105 509445444 /nfs/dbraw/zinc/44/54/44/509445444.db2.gz JERSOZZWBNJKGF-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000173189105 509445450 /nfs/dbraw/zinc/44/54/50/509445450.db2.gz JERSOZZWBNJKGF-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)N(C)Cc1ccccc1 ZINC000182827054 509446083 /nfs/dbraw/zinc/44/60/83/509446083.db2.gz ZQAMCYAHCAQVFB-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)N(C)Cc1ccccc1 ZINC000182827054 509446091 /nfs/dbraw/zinc/44/60/91/509446091.db2.gz ZQAMCYAHCAQVFB-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182951233 509512959 /nfs/dbraw/zinc/51/29/59/509512959.db2.gz OZIRIVNADPSQDY-SFNKJDCFSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182951233 509512964 /nfs/dbraw/zinc/51/29/64/509512964.db2.gz OZIRIVNADPSQDY-SFNKJDCFSA-N 1 3 350.551 2.764 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)o1 ZINC000186099474 509520716 /nfs/dbraw/zinc/52/07/16/509520716.db2.gz YHTOQAHMTWXOOW-KRWDZBQOSA-N 1 3 364.534 2.926 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C1CC1 ZINC000176458571 509524006 /nfs/dbraw/zinc/52/40/06/509524006.db2.gz ZDFJUNQZKKHRIC-QAPCUYQASA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C1CC1 ZINC000176458571 509524008 /nfs/dbraw/zinc/52/40/08/509524008.db2.gz ZDFJUNQZKKHRIC-QAPCUYQASA-N 1 3 364.559 2.915 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000236903855 509530379 /nfs/dbraw/zinc/53/03/79/509530379.db2.gz RNWNRBDHNABKJQ-VXKWHMMOSA-N 1 3 365.521 2.927 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000236903855 509530389 /nfs/dbraw/zinc/53/03/89/509530389.db2.gz RNWNRBDHNABKJQ-VXKWHMMOSA-N 1 3 365.521 2.927 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176492115 509542854 /nfs/dbraw/zinc/54/28/54/509542854.db2.gz BTSROALOBJLSTH-UHFFFAOYSA-N 1 3 352.548 2.553 20 0 FFADHO Cc1c[nH+]ccc1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000192547880 509550814 /nfs/dbraw/zinc/55/08/14/509550814.db2.gz JXDNXHQXJCFPOB-IBGZPJMESA-N 1 3 351.498 2.824 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000165311345 509566766 /nfs/dbraw/zinc/56/67/66/509566766.db2.gz GPIZIUZVCJCNBY-HOTGVXAUSA-N 1 3 353.532 2.831 20 0 FFADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173422523 509588145 /nfs/dbraw/zinc/58/81/45/509588145.db2.gz YAKQQOUCOFLMSG-MAUKXSAKSA-N 1 3 369.575 2.954 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000176591215 509599701 /nfs/dbraw/zinc/59/97/01/509599701.db2.gz WBRAAHRNVWLZNA-WOJBJXKFSA-N 1 3 360.546 2.941 20 0 FFADHO C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N(C)Cc1ccccc1 ZINC000176617508 509612664 /nfs/dbraw/zinc/61/26/64/509612664.db2.gz JXWSMKOMNCKIMM-VOBGVNJCSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N(C)Cc1ccccc1 ZINC000176617508 509612666 /nfs/dbraw/zinc/61/26/66/509612666.db2.gz JXWSMKOMNCKIMM-VOBGVNJCSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000179770836 509615703 /nfs/dbraw/zinc/61/57/03/509615703.db2.gz TXHACZVQTJUFCV-GQIGUUNPSA-N 1 3 358.530 2.525 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000179770836 509615712 /nfs/dbraw/zinc/61/57/12/509615712.db2.gz TXHACZVQTJUFCV-GQIGUUNPSA-N 1 3 358.530 2.525 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183140428 509623484 /nfs/dbraw/zinc/62/34/84/509623484.db2.gz DOGSXPXSSXJDIM-YPIGPJMWSA-N 1 3 370.585 2.513 20 0 FFADHO CC(C)OC1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000189560736 509638263 /nfs/dbraw/zinc/63/82/63/509638263.db2.gz XTRHROOITBJBSN-UHFFFAOYSA-N 1 3 359.514 2.558 20 0 FFADHO CC(C)[NH2+]CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169223504 509658572 /nfs/dbraw/zinc/65/85/72/509658572.db2.gz KYGCAMGSIXAVRE-UHFFFAOYSA-N 1 3 367.921 2.688 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)c(C)c1 ZINC000173615436 509676880 /nfs/dbraw/zinc/67/68/80/509676880.db2.gz BBUXFXDSWDQZDV-SFHVURJKSA-N 1 3 364.509 2.692 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)c(C)c1 ZINC000173615436 509676887 /nfs/dbraw/zinc/67/68/87/509676887.db2.gz BBUXFXDSWDQZDV-SFHVURJKSA-N 1 3 364.509 2.692 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000249504280 509696110 /nfs/dbraw/zinc/69/61/10/509696110.db2.gz YAXIDDOJZANHGQ-KXBFYZLASA-N 1 3 366.477 2.839 20 0 FFADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179981977 509697969 /nfs/dbraw/zinc/69/79/69/509697969.db2.gz KNATVIDQOWOQGN-MRXNPFEDSA-N 1 3 373.522 2.781 20 0 FFADHO CCOc1cc2[nH+]ccc(NC[C@@H]3CN(C)CCN3C)c2cc1OCC ZINC000264803136 509713846 /nfs/dbraw/zinc/71/38/46/509713846.db2.gz NKEIYRNLZQXKDT-OAHLLOKOSA-N 1 3 358.486 2.690 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC000173740862 509747477 /nfs/dbraw/zinc/74/74/77/509747477.db2.gz UQEBKIQKNBEJTP-WIYYLYMNSA-N 1 3 372.557 2.818 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000170756360 509760042 /nfs/dbraw/zinc/76/00/42/509760042.db2.gz CHWBOXXDQJSHKY-UXHICEINSA-N 1 3 358.530 2.731 20 0 FFADHO C[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1cccc(Cl)c1 ZINC000189818183 509770120 /nfs/dbraw/zinc/77/01/20/509770120.db2.gz GOXPHGLFHJAWOG-HNNXBMFYSA-N 1 3 351.922 2.833 20 0 FFADHO CCNC(=O)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180157167 509783289 /nfs/dbraw/zinc/78/32/89/509783289.db2.gz NVHPOJBYPVTOBB-UMQXSMKFSA-N 1 3 356.514 2.575 20 0 FFADHO CCNC(=O)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180157167 509783291 /nfs/dbraw/zinc/78/32/91/509783291.db2.gz NVHPOJBYPVTOBB-UMQXSMKFSA-N 1 3 356.514 2.575 20 0 FFADHO OCc1ccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000176984667 509798962 /nfs/dbraw/zinc/79/89/62/509798962.db2.gz BICMXYRQEZINSW-UHFFFAOYSA-N 1 3 358.482 2.933 20 0 FFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000238023471 509802150 /nfs/dbraw/zinc/80/21/50/509802150.db2.gz ZHXOCTJJJBZHAN-NRFANRHFSA-N 1 3 351.494 2.805 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000265038025 509834061 /nfs/dbraw/zinc/83/40/61/509834061.db2.gz MIWLIEIKZCUELS-GOSISDBHSA-N 1 3 369.513 2.701 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000265038025 509834067 /nfs/dbraw/zinc/83/40/67/509834067.db2.gz MIWLIEIKZCUELS-GOSISDBHSA-N 1 3 369.513 2.701 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252692291 509858376 /nfs/dbraw/zinc/85/83/76/509858376.db2.gz UFIIAAIWFWHKFW-LXZJYRNTSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252692291 509858383 /nfs/dbraw/zinc/85/83/83/509858383.db2.gz UFIIAAIWFWHKFW-LXZJYRNTSA-N 1 3 362.562 2.765 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000265097635 509860468 /nfs/dbraw/zinc/86/04/68/509860468.db2.gz SGJGYYDCXHDHJR-SFTDATJTSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000265097635 509860473 /nfs/dbraw/zinc/86/04/73/509860473.db2.gz SGJGYYDCXHDHJR-SFTDATJTSA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1 ZINC000173935340 509863023 /nfs/dbraw/zinc/86/30/23/509863023.db2.gz CNINESUXEIDILA-GOSISDBHSA-N 1 3 372.517 2.649 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171039118 509902440 /nfs/dbraw/zinc/90/24/40/509902440.db2.gz CDMJKODJXPURPB-VQTJNVASSA-N 1 3 356.514 2.703 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(F)c(Br)c2)CC1 ZINC000268442624 509932920 /nfs/dbraw/zinc/93/29/20/509932920.db2.gz SECITIDJHZPIAY-UHFFFAOYSA-N 1 3 359.283 2.913 20 0 FFADHO COC(=O)c1ccccc1CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000186928147 509957037 /nfs/dbraw/zinc/95/70/37/509957037.db2.gz RDAGOGFECPVPEX-HDICACEKSA-N 1 3 374.525 2.837 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000177397128 510034007 /nfs/dbraw/zinc/03/40/07/510034007.db2.gz BYZWDIQRVPREPF-QGZVFWFLSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC(Cc2ccccc2)CC1 ZINC000261756001 510052157 /nfs/dbraw/zinc/05/21/57/510052157.db2.gz JKEBAVNVEFJMGU-QIJUGHKUSA-N 1 3 369.553 2.788 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000171309090 510071371 /nfs/dbraw/zinc/07/13/71/510071371.db2.gz PQMIZMADPQTIIT-IBGZPJMESA-N 1 3 358.530 2.764 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000171309090 510071380 /nfs/dbraw/zinc/07/13/80/510071380.db2.gz PQMIZMADPQTIIT-IBGZPJMESA-N 1 3 358.530 2.764 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245683904 510084101 /nfs/dbraw/zinc/08/41/01/510084101.db2.gz VVVSXYGYFDIKPC-HOJAQTOUSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245683904 510084104 /nfs/dbraw/zinc/08/41/04/510084104.db2.gz VVVSXYGYFDIKPC-HOJAQTOUSA-N 1 3 358.530 2.851 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000261863552 510093828 /nfs/dbraw/zinc/09/38/28/510093828.db2.gz YDUWQUSNXPTXFS-KNQAVFIVSA-N 1 3 373.541 2.642 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000174460042 510125036 /nfs/dbraw/zinc/12/50/36/510125036.db2.gz GDWNAERDQDWCTC-ROUUACIJSA-N 1 3 374.554 2.616 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000174460042 510125051 /nfs/dbraw/zinc/12/50/51/510125051.db2.gz GDWNAERDQDWCTC-ROUUACIJSA-N 1 3 374.554 2.616 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000174511829 510151233 /nfs/dbraw/zinc/15/12/33/510151233.db2.gz BDKZMGAAXQMMIC-RBUKOAKNSA-N 1 3 361.505 2.838 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000174511829 510151240 /nfs/dbraw/zinc/15/12/40/510151240.db2.gz BDKZMGAAXQMMIC-RBUKOAKNSA-N 1 3 361.505 2.838 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000245857402 510171010 /nfs/dbraw/zinc/17/10/10/510171010.db2.gz ARMNVGFTVMSQNK-SJORKVTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000245857402 510171013 /nfs/dbraw/zinc/17/10/13/510171013.db2.gz ARMNVGFTVMSQNK-SJORKVTESA-N 1 3 366.575 2.942 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(OCCN(C)C)c1 ZINC000265679666 510172560 /nfs/dbraw/zinc/17/25/60/510172560.db2.gz BOGNPVSYHVYKLQ-WMZOPIPTSA-N 1 3 360.502 2.684 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(OCCN(C)C)c1 ZINC000265679666 510172567 /nfs/dbraw/zinc/17/25/67/510172567.db2.gz BOGNPVSYHVYKLQ-WMZOPIPTSA-N 1 3 360.502 2.684 20 0 FFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000269035680 510202925 /nfs/dbraw/zinc/20/29/25/510202925.db2.gz VNPPCNVFGFIUQX-QGZVFWFLSA-N 1 3 361.530 2.791 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000269055725 510213499 /nfs/dbraw/zinc/21/34/99/510213499.db2.gz JFHOHVOWJPZRTR-AEFFLSMTSA-N 1 3 368.518 2.728 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246081992 510282086 /nfs/dbraw/zinc/28/20/86/510282086.db2.gz DRLSWTJOMKHTEY-PZJWPPBQSA-N 1 3 372.557 2.582 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246081992 510282089 /nfs/dbraw/zinc/28/20/89/510282089.db2.gz DRLSWTJOMKHTEY-PZJWPPBQSA-N 1 3 372.557 2.582 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246116027 510302970 /nfs/dbraw/zinc/30/29/70/510302970.db2.gz CTUQUEHYGFLECG-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000269263478 510315266 /nfs/dbraw/zinc/31/52/66/510315266.db2.gz XIYABOOHZMZCFX-LJQANCHMSA-N 1 3 351.491 2.872 20 0 FFADHO C[N@H+](CCOc1cccc(CNC[C@H]2CCC=CO2)c1)C1CCOCC1 ZINC000194362108 510328114 /nfs/dbraw/zinc/32/81/14/510328114.db2.gz GDQMXPMHHWPXGG-OAQYLSRUSA-N 1 3 360.498 2.959 20 0 FFADHO C[N@@H+](CCOc1cccc(CNC[C@H]2CCC=CO2)c1)C1CCOCC1 ZINC000194362108 510328121 /nfs/dbraw/zinc/32/81/21/510328121.db2.gz GDQMXPMHHWPXGG-OAQYLSRUSA-N 1 3 360.498 2.959 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262610513 510336495 /nfs/dbraw/zinc/33/64/95/510336495.db2.gz DQOWRORRMBMAAO-BQFCYCMXSA-N 1 3 369.431 2.685 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000246171370 510336781 /nfs/dbraw/zinc/33/67/81/510336781.db2.gz FYFHZUGEDFZXBJ-KURKYZTESA-N 1 3 352.567 2.869 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000246171370 510336783 /nfs/dbraw/zinc/33/67/83/510336783.db2.gz FYFHZUGEDFZXBJ-KURKYZTESA-N 1 3 352.567 2.869 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000262769403 510404124 /nfs/dbraw/zinc/40/41/24/510404124.db2.gz HJVASJJENRPZEQ-KNQAVFIVSA-N 1 3 373.541 2.547 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1(C)C ZINC000262814635 510425196 /nfs/dbraw/zinc/42/51/96/510425196.db2.gz WFHZZRUIZWNWSC-UEXGIBASSA-N 1 3 365.562 2.634 20 0 FFADHO O=C(CCN1CCC(OCC[NH+]2CCCC2)CC1)OCc1ccccc1 ZINC000181468242 510427814 /nfs/dbraw/zinc/42/78/14/510427814.db2.gz ZBBUTQOPNMOEPD-UHFFFAOYSA-N 1 3 360.498 2.697 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(OCCN(C)C)cc1 ZINC000178190014 510479770 /nfs/dbraw/zinc/47/97/70/510479770.db2.gz ATSPRBAZRDJNAG-PKOBYXMFSA-N 1 3 369.513 2.737 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000175309112 510582384 /nfs/dbraw/zinc/58/23/84/510582384.db2.gz ROJSPJKDLODOJR-RBUKOAKNSA-N 1 3 361.534 2.590 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000175309112 510582391 /nfs/dbraw/zinc/58/23/91/510582391.db2.gz ROJSPJKDLODOJR-RBUKOAKNSA-N 1 3 361.534 2.590 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000246754868 510655658 /nfs/dbraw/zinc/65/56/58/510655658.db2.gz HJUZXCOOQNHTAK-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000246754868 510655667 /nfs/dbraw/zinc/65/56/67/510655667.db2.gz HJUZXCOOQNHTAK-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000246844875 510704640 /nfs/dbraw/zinc/70/46/40/510704640.db2.gz CIFSLPFFLWZOHE-IAGOWNOFSA-N 1 3 367.559 2.710 20 0 FFADHO O[C@H](COCc1cccs1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246849707 510709106 /nfs/dbraw/zinc/70/91/06/510709106.db2.gz PBCONQBJDFNDGV-VDZJLULYSA-N 1 3 350.528 2.574 20 0 FFADHO O[C@H](COCc1cccs1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246849707 510709112 /nfs/dbraw/zinc/70/91/12/510709112.db2.gz PBCONQBJDFNDGV-VDZJLULYSA-N 1 3 350.528 2.574 20 0 FFADHO C[C@H](CC(=O)NC1CCN(CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000178688848 510723247 /nfs/dbraw/zinc/72/32/47/510723247.db2.gz HPUMEWQLNQKKFG-QUCCMNQESA-N 1 3 357.542 2.836 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000178717922 510738008 /nfs/dbraw/zinc/73/80/08/510738008.db2.gz KWNRJDYEBHBAMO-UHFFFAOYSA-N 1 3 373.541 2.538 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731180 510742415 /nfs/dbraw/zinc/74/24/15/510742415.db2.gz GWDIKUOWWBAFOJ-NRFANRHFSA-N 1 3 351.494 2.585 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000266720357 510749474 /nfs/dbraw/zinc/74/94/74/510749474.db2.gz SUQGIOJPCKWVQF-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000266720357 510749480 /nfs/dbraw/zinc/74/94/80/510749480.db2.gz SUQGIOJPCKWVQF-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC000270341782 510769413 /nfs/dbraw/zinc/76/94/13/510769413.db2.gz LEKBHCOTKHFOPJ-DGDSNLKDSA-N 1 3 356.514 2.746 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC000270341782 510769416 /nfs/dbraw/zinc/76/94/16/510769416.db2.gz LEKBHCOTKHFOPJ-DGDSNLKDSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@@H](C(=O)N1CCCCC1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000175798037 510795241 /nfs/dbraw/zinc/79/52/41/510795241.db2.gz FULOZUNEORMADM-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)cc(OC)c1 ZINC000247048160 510815539 /nfs/dbraw/zinc/81/55/39/510815539.db2.gz MAJQGGHCPCOGLP-ONFYXGJMSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)cc(OC)c1 ZINC000247048160 510815544 /nfs/dbraw/zinc/81/55/44/510815544.db2.gz MAJQGGHCPCOGLP-ONFYXGJMSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000247048139 510815852 /nfs/dbraw/zinc/81/58/52/510815852.db2.gz MAJQGGHCPCOGLP-KALAIVBUSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000247048139 510815854 /nfs/dbraw/zinc/81/58/54/510815854.db2.gz MAJQGGHCPCOGLP-KALAIVBUSA-N 1 3 361.530 2.596 20 0 FFADHO Cc1cccc2c1[nH+]cc(C)c2N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000185352524 510818144 /nfs/dbraw/zinc/81/81/44/510818144.db2.gz DPCXFFGMGGJEHM-SFHVURJKSA-N 1 3 352.482 2.594 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000185376680 510827827 /nfs/dbraw/zinc/82/78/27/510827827.db2.gz AHCCRWRVSDRMPA-VCSGRIEYSA-N 1 3 370.541 2.918 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000185376680 510827830 /nfs/dbraw/zinc/82/78/30/510827830.db2.gz AHCCRWRVSDRMPA-VCSGRIEYSA-N 1 3 370.541 2.918 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000182260272 510836757 /nfs/dbraw/zinc/83/67/57/510836757.db2.gz UARUVTHYFSVRJD-TUFLPTIASA-N 1 3 356.510 2.691 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247161766 510847478 /nfs/dbraw/zinc/84/74/78/510847478.db2.gz XUYKMZRCHZXSLG-KFWWJZLASA-N 1 3 373.339 2.513 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000247183501 510849322 /nfs/dbraw/zinc/84/93/22/510849322.db2.gz VJBHNIBOCQKCPT-HJNYFJLDSA-N 1 3 358.574 2.685 20 0 FFADHO O=C(NC[C@H]1CCC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000247334792 510857591 /nfs/dbraw/zinc/85/75/91/510857591.db2.gz VRNQDYHJBWILBV-FUHWJXTLSA-N 1 3 369.431 2.557 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282182039 510876404 /nfs/dbraw/zinc/87/64/04/510876404.db2.gz FSQYGTMKVSBSSP-TZIWHRDSSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282182037 510876722 /nfs/dbraw/zinc/87/67/22/510876722.db2.gz FSQYGTMKVSBSSP-FPOVZHCZSA-N 1 3 358.574 2.513 20 0 FFADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(CN2CCCCC2)cc1 ZINC000270732996 510966162 /nfs/dbraw/zinc/96/61/62/510966162.db2.gz YWVQVZUMGHTDAO-NRFANRHFSA-N 1 3 373.541 2.639 20 0 FFADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(CN2CCCCC2)cc1 ZINC000270732996 510966165 /nfs/dbraw/zinc/96/61/65/510966165.db2.gz YWVQVZUMGHTDAO-NRFANRHFSA-N 1 3 373.541 2.639 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(=O)n1C ZINC000279620669 511148778 /nfs/dbraw/zinc/14/87/78/511148778.db2.gz YGKQNHRPARBIMC-MZADTFQBSA-N 1 3 351.494 2.979 20 0 FFADHO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000364948878 511171890 /nfs/dbraw/zinc/17/18/90/511171890.db2.gz ZIETTYCSRDZXFG-HXUWFJFHSA-N 1 3 363.521 2.517 20 0 FFADHO COCCCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCN(C)CC1 ZINC000291378859 511173713 /nfs/dbraw/zinc/17/37/13/511173713.db2.gz FAXKMFLKNLQXLP-UHFFFAOYSA-N 1 3 373.541 2.855 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)NC1CC[NH+](C2CCCC2)CC1 ZINC000333278847 511187418 /nfs/dbraw/zinc/18/74/18/511187418.db2.gz HFLUHXXFUMGYPJ-UHFFFAOYSA-N 1 3 358.486 2.697 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000279803112 511221642 /nfs/dbraw/zinc/22/16/42/511221642.db2.gz IMUIRFRVBIJNPC-MRXNPFEDSA-N 1 3 356.514 2.598 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000279803110 511221843 /nfs/dbraw/zinc/22/18/43/511221843.db2.gz IMUIRFRVBIJNPC-INIZCTEOSA-N 1 3 356.514 2.598 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279829685 511231349 /nfs/dbraw/zinc/23/13/49/511231349.db2.gz GVROZHCXROQNSL-UHFFFAOYSA-N 1 3 359.493 2.519 20 0 FFADHO c1ccc(N2CCN(CCCC[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000298519730 511314032 /nfs/dbraw/zinc/31/40/32/511314032.db2.gz RJYIENVSKJKFNB-UHFFFAOYSA-N 1 3 356.558 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271828722 511340876 /nfs/dbraw/zinc/34/08/76/511340876.db2.gz DSGQVFWXJBUFCG-WGMWDUQUSA-N 1 3 370.541 2.704 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271828722 511340882 /nfs/dbraw/zinc/34/08/82/511340882.db2.gz DSGQVFWXJBUFCG-WGMWDUQUSA-N 1 3 370.541 2.704 20 0 FFADHO COc1cc(C[N@H+](CCCN2CCN(C(C)C)CC2)C2CC2)ccc1O ZINC000283451458 511371034 /nfs/dbraw/zinc/37/10/34/511371034.db2.gz YGMRCSFSCHHQQN-UHFFFAOYSA-N 1 3 361.530 2.781 20 0 FFADHO COc1cc(C[N@@H+](CCCN2CCN(C(C)C)CC2)C2CC2)ccc1O ZINC000283451458 511371038 /nfs/dbraw/zinc/37/10/38/511371038.db2.gz YGMRCSFSCHHQQN-UHFFFAOYSA-N 1 3 361.530 2.781 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000333949412 511401500 /nfs/dbraw/zinc/40/15/00/511401500.db2.gz XGHUSUYJEWQGLI-QDGKJQRMSA-N 1 3 356.514 2.591 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218866 511468216 /nfs/dbraw/zinc/46/82/16/511468216.db2.gz ILUUZRGNKWFRLD-IEBWSBKVSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218866 511468222 /nfs/dbraw/zinc/46/82/22/511468222.db2.gz ILUUZRGNKWFRLD-IEBWSBKVSA-N 1 3 370.541 2.823 20 0 FFADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000283839524 511518466 /nfs/dbraw/zinc/51/84/66/511518466.db2.gz AWSXJQWGODZZEA-RTBURBONSA-N 1 3 352.544 2.974 20 0 FFADHO CCC1(C[NH2+]C2CCS(=O)(=O)CC2)CCN(Cc2ccccc2)CC1 ZINC000365830659 511674685 /nfs/dbraw/zinc/67/46/85/511674685.db2.gz IYMWRVHSKVOJPI-UHFFFAOYSA-N 1 3 364.555 2.846 20 0 FFADHO COc1ncc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000284393998 511707785 /nfs/dbraw/zinc/70/77/85/511707785.db2.gz PJABPTFCMUGIGH-JCURWCKSSA-N 1 3 353.894 2.772 20 0 FFADHO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000363785326 511767355 /nfs/dbraw/zinc/76/73/55/511767355.db2.gz OUUKEDLPBIJEGI-MJGOQNOKSA-N 1 3 361.530 2.531 20 0 FFADHO Cc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311357330 511776939 /nfs/dbraw/zinc/77/69/39/511776939.db2.gz DQOYHPJFCFOXCP-NHCUHLMSSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311357330 511776946 /nfs/dbraw/zinc/77/69/46/511776946.db2.gz DQOYHPJFCFOXCP-NHCUHLMSSA-N 1 3 354.494 2.846 20 0 FFADHO C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000363825006 511791049 /nfs/dbraw/zinc/79/10/49/511791049.db2.gz MUTVOHMAHIKPMK-OXQOHEQNSA-N 1 3 372.513 2.544 20 0 FFADHO CN1CCC(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000366337224 511964196 /nfs/dbraw/zinc/96/41/96/511964196.db2.gz VLPKXXLHKCSOQQ-LEWJYISDSA-N 1 3 355.526 2.699 20 0 FFADHO CN1CCC(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000366337224 511964203 /nfs/dbraw/zinc/96/42/03/511964203.db2.gz VLPKXXLHKCSOQQ-LEWJYISDSA-N 1 3 355.526 2.699 20 0 FFADHO COC[C@@H]1CCCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000364164979 511994545 /nfs/dbraw/zinc/99/45/45/511994545.db2.gz BLVAFZAOLGBGEW-OAQYLSRUSA-N 1 3 373.541 2.647 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000366454467 512032728 /nfs/dbraw/zinc/03/27/28/512032728.db2.gz XVLHISVSIXTGAG-QHAWAJNXSA-N 1 3 371.525 2.606 20 0 FFADHO COC(=O)c1coc([C@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000375723031 512473030 /nfs/dbraw/zinc/47/30/30/512473030.db2.gz CHENXYBUNGALSI-INIZCTEOSA-N 1 3 363.502 2.667 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367408732 512485111 /nfs/dbraw/zinc/48/51/11/512485111.db2.gz YKWNJQKAAASYAA-NQIIRXRSSA-N 1 3 359.489 2.640 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369576642 512489533 /nfs/dbraw/zinc/48/95/33/512489533.db2.gz MCWNOBQDWJJWFZ-VQTJNVASSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369576642 512489538 /nfs/dbraw/zinc/48/95/38/512489538.db2.gz MCWNOBQDWJJWFZ-VQTJNVASSA-N 1 3 356.514 2.703 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000367560930 512558314 /nfs/dbraw/zinc/55/83/14/512558314.db2.gz CEPMDHCJVGREFN-CLAROIROSA-N 1 3 351.494 2.658 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000367560930 512558317 /nfs/dbraw/zinc/55/83/17/512558317.db2.gz CEPMDHCJVGREFN-CLAROIROSA-N 1 3 351.494 2.658 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cccnc1 ZINC000367560930 512558320 /nfs/dbraw/zinc/55/83/20/512558320.db2.gz CEPMDHCJVGREFN-CLAROIROSA-N 1 3 351.494 2.658 20 0 FFADHO NC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)Cc2ccccc2C1 ZINC000378200472 512636464 /nfs/dbraw/zinc/63/64/64/512636464.db2.gz DLCBVQGVIACRHU-INIZCTEOSA-N 1 3 369.534 2.573 20 0 FFADHO NC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)Cc2ccccc2C1 ZINC000378200472 512636468 /nfs/dbraw/zinc/63/64/68/512636468.db2.gz DLCBVQGVIACRHU-INIZCTEOSA-N 1 3 369.534 2.573 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000378203830 512638277 /nfs/dbraw/zinc/63/82/77/512638277.db2.gz SMCOWCZJDRWSBI-KRWDZBQOSA-N 1 3 363.505 2.825 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000411460906 512647121 /nfs/dbraw/zinc/64/71/21/512647121.db2.gz NEDXHMNSCUCDFO-KRWDZBQOSA-N 1 3 369.513 2.512 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000411471977 512652417 /nfs/dbraw/zinc/65/24/17/512652417.db2.gz HDRVTNXHWMSCOC-RXVVDRJESA-N 1 3 373.541 2.733 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000411476245 512653999 /nfs/dbraw/zinc/65/39/99/512653999.db2.gz PDNMWLTUFBOEBK-QGZVFWFLSA-N 1 3 358.530 2.538 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCCC[C@@H]2Oc2ccccc2C)CC1 ZINC000411564321 512692122 /nfs/dbraw/zinc/69/21/22/512692122.db2.gz SNTSMVJLSCXYMJ-FPOVZHCZSA-N 1 3 373.541 2.875 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000378493748 512788530 /nfs/dbraw/zinc/78/85/30/512788530.db2.gz KCZWZDOCCHFKFQ-OAQYLSRUSA-N 1 3 359.514 2.570 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000372434418 512872236 /nfs/dbraw/zinc/87/22/36/512872236.db2.gz BJYLUBFMPYMTMB-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000372434418 512872241 /nfs/dbraw/zinc/87/22/41/512872241.db2.gz BJYLUBFMPYMTMB-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389835079 512901886 /nfs/dbraw/zinc/90/18/86/512901886.db2.gz DGUAHJMTVNTYCH-DYESRHJHSA-N 1 3 351.494 2.699 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccn1C1CC[NH2+]CC1 ZINC000368507633 512980554 /nfs/dbraw/zinc/98/05/54/512980554.db2.gz ITDOZRJXQCJECN-NRFANRHFSA-N 1 3 366.509 2.980 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000368520590 512985759 /nfs/dbraw/zinc/98/57/59/512985759.db2.gz WWKXWVFZVCZOBT-FGZHOGPDSA-N 1 3 359.558 2.991 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000368520590 512985763 /nfs/dbraw/zinc/98/57/63/512985763.db2.gz WWKXWVFZVCZOBT-FGZHOGPDSA-N 1 3 359.558 2.991 20 0 FFADHO COc1ccc2oc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000370703843 513062328 /nfs/dbraw/zinc/06/23/28/513062328.db2.gz VAHVNIFEFCZXCA-OXJNMPFZSA-N 1 3 357.498 2.899 20 0 FFADHO COc1ccc2oc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2c1 ZINC000370703843 513062333 /nfs/dbraw/zinc/06/23/33/513062333.db2.gz VAHVNIFEFCZXCA-OXJNMPFZSA-N 1 3 357.498 2.899 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763145 513089901 /nfs/dbraw/zinc/08/99/01/513089901.db2.gz GCWMUKWSFLBBLB-AZUAARDMSA-N 1 3 361.555 2.582 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370763145 513089905 /nfs/dbraw/zinc/08/99/05/513089905.db2.gz GCWMUKWSFLBBLB-AZUAARDMSA-N 1 3 361.555 2.582 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450341668 513150150 /nfs/dbraw/zinc/15/01/50/513150150.db2.gz LUANGLWJIMSKKV-MOXWOTFGSA-N 1 3 360.542 2.972 20 0 FFADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417680094 513157090 /nfs/dbraw/zinc/15/70/90/513157090.db2.gz IGKGESLWTXMOOZ-FXAWDEMLSA-N 1 3 372.557 2.710 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000417690808 513164409 /nfs/dbraw/zinc/16/44/09/513164409.db2.gz LWSQIQVWZDTESH-IRXDYDNUSA-N 1 3 358.530 2.981 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424483260 513164452 /nfs/dbraw/zinc/16/44/52/513164452.db2.gz WYQCYYLXFMIWGF-QRVBRYPASA-N 1 3 358.530 2.856 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000428695307 513166545 /nfs/dbraw/zinc/16/65/45/513166545.db2.gz VWLFQBJOWLFEQS-WLRLJWMZSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000428695307 513166555 /nfs/dbraw/zinc/16/65/55/513166555.db2.gz VWLFQBJOWLFEQS-WLRLJWMZSA-N 1 3 370.541 2.966 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417693216 513167137 /nfs/dbraw/zinc/16/71/37/513167137.db2.gz ZGPFQGWJWNRYOR-MOPGFXCFSA-N 1 3 358.530 2.592 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000433900660 513180226 /nfs/dbraw/zinc/18/02/26/513180226.db2.gz IZJVORRXXWXUFZ-OALUTQOASA-N 1 3 350.551 2.813 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H]1c1ccccc1 ZINC000433899561 513181025 /nfs/dbraw/zinc/18/10/25/513181025.db2.gz ZZSRAHHAWMCWKN-HSALFYBXSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@H]1c1ccccc1 ZINC000433899561 513181029 /nfs/dbraw/zinc/18/10/29/513181029.db2.gz ZZSRAHHAWMCWKN-HSALFYBXSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccccc3C(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000417741603 513190168 /nfs/dbraw/zinc/19/01/68/513190168.db2.gz AJMYIJRXRLOBBV-QZTJIDSGSA-N 1 3 373.541 2.710 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000417816035 513218665 /nfs/dbraw/zinc/21/86/65/513218665.db2.gz BYLWTHJNTPFYEE-RAUXBKROSA-N 1 3 358.530 2.666 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446263084 513222562 /nfs/dbraw/zinc/22/25/62/513222562.db2.gz SWCYVJWIBFLVNU-WOIUINJBSA-N 1 3 373.541 2.677 20 0 FFADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000421347056 513231344 /nfs/dbraw/zinc/23/13/44/513231344.db2.gz BAZQSPHYPUTASX-LELZANKISA-N 1 3 355.526 2.778 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CN1C1CC1 ZINC000428952060 513231490 /nfs/dbraw/zinc/23/14/90/513231490.db2.gz BJYFIZFKEOOURH-REHHDOPLSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CN1C1CC1 ZINC000428952060 513231495 /nfs/dbraw/zinc/23/14/95/513231495.db2.gz BJYFIZFKEOOURH-REHHDOPLSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417840177 513232398 /nfs/dbraw/zinc/23/23/98/513232398.db2.gz ZNCDTEKLXADKSF-ANTGDGSKSA-N 1 3 372.557 2.961 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cccc4c3OCCCO4)CC2)CC1 ZINC000421366101 513238647 /nfs/dbraw/zinc/23/86/47/513238647.db2.gz CPGBQBFLAJRUKB-UHFFFAOYSA-N 1 3 373.541 2.840 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000429029067 513261628 /nfs/dbraw/zinc/26/16/28/513261628.db2.gz DHGRDIRYCUNYNC-CXAGYDPISA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000429029067 513261629 /nfs/dbraw/zinc/26/16/29/513261629.db2.gz DHGRDIRYCUNYNC-CXAGYDPISA-N 1 3 359.297 2.761 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000440221858 513276371 /nfs/dbraw/zinc/27/63/71/513276371.db2.gz AMBLULKLODAZSO-UYAOXDASSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000440221858 513276376 /nfs/dbraw/zinc/27/63/76/513276376.db2.gz AMBLULKLODAZSO-UYAOXDASSA-N 1 3 360.546 2.879 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)cc2)CC1 ZINC000434450625 513328353 /nfs/dbraw/zinc/32/83/53/513328353.db2.gz RGEPIOFJGQBSLD-OAQYLSRUSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)cc2)CC1 ZINC000434450625 513328357 /nfs/dbraw/zinc/32/83/57/513328357.db2.gz RGEPIOFJGQBSLD-OAQYLSRUSA-N 1 3 370.541 2.575 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418006328 513330349 /nfs/dbraw/zinc/33/03/49/513330349.db2.gz DYZPPTFHTATKIG-GHTZIAJQSA-N 1 3 366.509 2.677 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000415601972 513343103 /nfs/dbraw/zinc/34/31/03/513343103.db2.gz JWOFFWDAIUMZQT-UHFFFAOYSA-N 1 3 354.454 2.564 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000418032455 513343710 /nfs/dbraw/zinc/34/37/10/513343710.db2.gz LZGGUVVHSHYRSF-HOJAQTOUSA-N 1 3 360.546 2.769 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418036437 513346429 /nfs/dbraw/zinc/34/64/29/513346429.db2.gz QMELPIMVMQIYIM-PXNSSMCTSA-N 1 3 360.546 2.912 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000418129321 513383456 /nfs/dbraw/zinc/38/34/56/513383456.db2.gz BKZVYYLBSULVIY-DBVUQKKJSA-N 1 3 358.530 2.584 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418132020 513383549 /nfs/dbraw/zinc/38/35/49/513383549.db2.gz DKMDRNSVQOWSTI-DBVUQKKJSA-N 1 3 358.530 2.808 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)[C@@H]2C1 ZINC000425059644 513396763 /nfs/dbraw/zinc/39/67/63/513396763.db2.gz SDLRNWGLKRSXBU-NLWGTHIKSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)[C@@H]2C1 ZINC000425059644 513396766 /nfs/dbraw/zinc/39/67/66/513396766.db2.gz SDLRNWGLKRSXBU-NLWGTHIKSA-N 1 3 359.489 2.590 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccco1 ZINC000418157899 513396984 /nfs/dbraw/zinc/39/69/84/513396984.db2.gz ANTZAMWOVFBLMB-SJORKVTESA-N 1 3 362.518 2.884 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC([NH3+])CC1 ZINC000418163030 513399682 /nfs/dbraw/zinc/39/96/82/513399682.db2.gz VIXXLFFMEZHWBX-CTWPCTMYSA-N 1 3 358.530 2.856 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000418187892 513412193 /nfs/dbraw/zinc/41/21/93/513412193.db2.gz SXWMOBQRDVGIIX-IRXDYDNUSA-N 1 3 352.910 2.774 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC[NH2+]CC1 ZINC000418193538 513414259 /nfs/dbraw/zinc/41/42/59/513414259.db2.gz NTPKGGCYGJZBAJ-FXAWDEMLSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418195853 513416004 /nfs/dbraw/zinc/41/60/04/513416004.db2.gz QJRHHUYLBLYQRX-VDGAXYAQSA-N 1 3 360.546 2.785 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418194979 513416482 /nfs/dbraw/zinc/41/64/82/513416482.db2.gz PKBIWYFZNJNNKD-AZUAARDMSA-N 1 3 360.546 2.787 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418208088 513421405 /nfs/dbraw/zinc/42/14/05/513421405.db2.gz QDIYRBWREXNAKU-PKOBYXMFSA-N 1 3 364.534 2.749 20 0 FFADHO CN(C)C1(CNC(=O)NC2CCC(C[NH+](C)C)CC2)Cc2ccccc2C1 ZINC000440861144 513426066 /nfs/dbraw/zinc/42/60/66/513426066.db2.gz QMGOCBLUEPCSBJ-UHFFFAOYSA-N 1 3 372.557 2.505 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)N(CC)CC)cc1 ZINC000418218646 513426591 /nfs/dbraw/zinc/42/65/91/513426591.db2.gz RFALWHTXSPLBNI-HBMCJLEFSA-N 1 3 372.557 2.883 20 0 FFADHO CCC[C@H]1CNCCN1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000418230810 513432664 /nfs/dbraw/zinc/43/26/64/513432664.db2.gz JTSQFRMGMWMUJK-WMZOPIPTSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000418232485 513433429 /nfs/dbraw/zinc/43/34/29/513433429.db2.gz MQLCCAPKOINICE-ZVZYQTTQSA-N 1 3 364.559 2.828 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418235372 513435502 /nfs/dbraw/zinc/43/55/02/513435502.db2.gz SGVRWZAXSLXMJV-YJBOKZPZSA-N 1 3 364.559 2.700 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418242535 513438141 /nfs/dbraw/zinc/43/81/41/513438141.db2.gz VIROOFMRHSXJEI-FHWLQOOXSA-N 1 3 350.551 2.528 20 0 FFADHO Cc1ccc(NC(=O)CC[N@@H+](C)CC2CCN(c3ccncc3)CC2)nc1 ZINC000447297098 513439782 /nfs/dbraw/zinc/43/97/82/513439782.db2.gz UCPCEZIQJURUOX-UHFFFAOYSA-N 1 3 367.497 2.962 20 0 FFADHO Cc1ccc(NC(=O)CC[N@H+](C)CC2CCN(c3ccncc3)CC2)nc1 ZINC000447297098 513439790 /nfs/dbraw/zinc/43/97/90/513439790.db2.gz UCPCEZIQJURUOX-UHFFFAOYSA-N 1 3 367.497 2.962 20 0 FFADHO CN(Cc1cc(C[N@H+](C)C2(CO)CC2)cc(C(F)(F)F)c1)C1(CO)CC1 ZINC000450990851 513442957 /nfs/dbraw/zinc/44/29/57/513442957.db2.gz INBGDDMXGHNARO-UHFFFAOYSA-N 1 3 372.431 2.619 20 0 FFADHO CN(Cc1cc(C[N@@H+](C)C2(CO)CC2)cc(C(F)(F)F)c1)C1(CO)CC1 ZINC000450990851 513442966 /nfs/dbraw/zinc/44/29/66/513442966.db2.gz INBGDDMXGHNARO-UHFFFAOYSA-N 1 3 372.431 2.619 20 0 FFADHO O=C(NCCC[NH2+]C1CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418281154 513450225 /nfs/dbraw/zinc/45/02/25/513450225.db2.gz CPBYONCCPIGGEO-JOCHJYFZSA-N 1 3 370.541 2.826 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418299621 513455847 /nfs/dbraw/zinc/45/58/47/513455847.db2.gz TWPBHZMIPMSIDI-IBGZPJMESA-N 1 3 373.545 2.739 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000441016086 513461141 /nfs/dbraw/zinc/46/11/41/513461141.db2.gz SOQXXEQGVBYOIC-RTBURBONSA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000441016086 513461146 /nfs/dbraw/zinc/46/11/46/513461146.db2.gz SOQXXEQGVBYOIC-RTBURBONSA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418342040 513472647 /nfs/dbraw/zinc/47/26/47/513472647.db2.gz IDGKMMVPYCFPAY-UGKGYDQZSA-N 1 3 370.541 2.684 20 0 FFADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418342326 513473788 /nfs/dbraw/zinc/47/37/88/513473788.db2.gz MVDRVMFFJLKKHR-UNMCSNQZSA-N 1 3 370.541 2.684 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000415911037 513473972 /nfs/dbraw/zinc/47/39/72/513473972.db2.gz IXLGPUACTDHFGZ-IAGOWNOFSA-N 1 3 374.529 2.759 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000418350147 513477493 /nfs/dbraw/zinc/47/74/93/513477493.db2.gz KWNYUPVFDAKEKL-FQEVSTJZSA-N 1 3 369.513 2.684 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)[C@H]1CCC[NH2+]C1 ZINC000418354155 513480287 /nfs/dbraw/zinc/48/02/87/513480287.db2.gz WEEMERHFQOVKIE-VCOUNFBDSA-N 1 3 370.541 2.682 20 0 FFADHO C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418358983 513481429 /nfs/dbraw/zinc/48/14/29/513481429.db2.gz JABHBIKIOWUQTR-WIYYLYMNSA-N 1 3 358.530 2.540 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)NCC2(SC)CCN(C)CC2)c1 ZINC000415931697 513485463 /nfs/dbraw/zinc/48/54/63/513485463.db2.gz LHCNTZYEEXTXCP-UHFFFAOYSA-N 1 3 350.532 2.745 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418377685 513489015 /nfs/dbraw/zinc/48/90/15/513489015.db2.gz HLILAAHPZQKGQL-MRXNPFEDSA-N 1 3 372.435 2.531 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944012 513490734 /nfs/dbraw/zinc/49/07/34/513490734.db2.gz HISZDCXNLFKOKK-UZLBHIALSA-N 1 3 368.481 2.666 20 0 FFADHO C[C@@H]1[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415942623 513490825 /nfs/dbraw/zinc/49/08/25/513490825.db2.gz BJFYGYTWUVBCHR-OXQOHEQNSA-N 1 3 368.481 2.809 20 0 FFADHO CC1(C)CN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418396184 513493971 /nfs/dbraw/zinc/49/39/71/513493971.db2.gz ZKGRGXPMLFLGEA-VQTJNVASSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418412684 513498782 /nfs/dbraw/zinc/49/87/82/513498782.db2.gz YBDRBTVBKRLQFZ-MRXNPFEDSA-N 1 3 372.435 2.516 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418531429 513545494 /nfs/dbraw/zinc/54/54/94/513545494.db2.gz WZWDBBDEMOFYMV-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CCC[NH2+]C1 ZINC000418538969 513548344 /nfs/dbraw/zinc/54/83/44/513548344.db2.gz LLQWILLFDNAWFX-FCHUYYIVSA-N 1 3 370.541 2.684 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418544444 513551371 /nfs/dbraw/zinc/55/13/71/513551371.db2.gz UXAWQZZKFBHAFD-FXAWDEMLSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418578526 513565004 /nfs/dbraw/zinc/56/50/04/513565004.db2.gz QAYPAFONRKRCJJ-BWPNAZKDSA-N 1 3 358.530 2.679 20 0 FFADHO COc1ccc(-c2ccccc2)cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000435382859 513570784 /nfs/dbraw/zinc/57/07/84/513570784.db2.gz COPTYYIGSBUZQM-IBGZPJMESA-N 1 3 367.493 2.649 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000418606672 513575512 /nfs/dbraw/zinc/57/55/12/513575512.db2.gz VUQGDAPRTYJRQY-GOSISDBHSA-N 1 3 356.514 2.602 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000418610355 513576184 /nfs/dbraw/zinc/57/61/84/513576184.db2.gz UGKMGDZOBBBEHK-TXQGORRRSA-N 1 3 350.551 2.669 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000418616090 513578877 /nfs/dbraw/zinc/57/88/77/513578877.db2.gz LBTCGMQNTPTQDV-UGXKVIGPSA-N 1 3 350.551 2.526 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418636437 513585417 /nfs/dbraw/zinc/58/54/17/513585417.db2.gz ILOZXNIXYWAJOV-UHFFFAOYSA-N 1 3 371.529 2.639 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418636621 513585828 /nfs/dbraw/zinc/58/58/28/513585828.db2.gz IQYSTLRSZHJYRE-MRXNPFEDSA-N 1 3 352.548 2.600 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000418648441 513592307 /nfs/dbraw/zinc/59/23/07/513592307.db2.gz ZJVGVFGPLQTLQO-ICSRJNTNSA-N 1 3 356.514 2.533 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418707261 513619568 /nfs/dbraw/zinc/61/95/68/513619568.db2.gz BJZASKUIDBYYKF-GOEBONIOSA-N 1 3 368.472 2.556 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418718544 513622744 /nfs/dbraw/zinc/62/27/44/513622744.db2.gz KGWZVHYPFGEJRV-WMLDXEAASA-N 1 3 368.472 2.556 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418762517 513644965 /nfs/dbraw/zinc/64/49/65/513644965.db2.gz IWIZJZFGVUCFGW-AQNXPRMDSA-N 1 3 358.530 2.667 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418762519 513645685 /nfs/dbraw/zinc/64/56/85/513645685.db2.gz IWIZJZFGVUCFGW-VAMGGRTRSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418779184 513653967 /nfs/dbraw/zinc/65/39/67/513653967.db2.gz AZIKTAVHVYORDU-XRXFAXGQSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418779182 513654297 /nfs/dbraw/zinc/65/42/97/513654297.db2.gz AZIKTAVHVYORDU-NCYKPQTJSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418792969 513660347 /nfs/dbraw/zinc/66/03/47/513660347.db2.gz ODTRSKNFLMOGAB-BVOGOJNSSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418796853 513661675 /nfs/dbraw/zinc/66/16/75/513661675.db2.gz RNXVQPHRUYFFJL-SLFFLAALSA-N 1 3 370.541 2.681 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)N2CCCC2)cc1 ZINC000425663972 513687466 /nfs/dbraw/zinc/68/74/66/513687466.db2.gz QPIFQDAAJAAPMY-PCCBWWKXSA-N 1 3 370.541 2.868 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)N2CCCC2)cc1 ZINC000425663972 513687473 /nfs/dbraw/zinc/68/74/73/513687473.db2.gz QPIFQDAAJAAPMY-PCCBWWKXSA-N 1 3 370.541 2.868 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000430586812 513696283 /nfs/dbraw/zinc/69/62/83/513696283.db2.gz ZJCANRDMFXMKSN-STQMWFEESA-N 1 3 354.292 2.837 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](N)c3ccc(C)cc3)cc2)CC1 ZINC000430621031 513705656 /nfs/dbraw/zinc/70/56/56/513705656.db2.gz CUDYXXYVOXUGMO-OAQYLSRUSA-N 1 3 366.509 2.771 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000448257901 513721081 /nfs/dbraw/zinc/72/10/81/513721081.db2.gz SPDTUUYWIGJIRF-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000448262527 513722395 /nfs/dbraw/zinc/72/23/95/513722395.db2.gz XXXRNJYVONZSCW-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000442604230 513744109 /nfs/dbraw/zinc/74/41/09/513744109.db2.gz KFBPYHJQOHFINB-GHTZIAJQSA-N 1 3 357.542 2.917 20 0 FFADHO CN(C)Cc1cccc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000448451941 513760963 /nfs/dbraw/zinc/76/09/63/513760963.db2.gz IEBHIORFMLQLAH-IBGZPJMESA-N 1 3 367.497 2.536 20 0 FFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(Br)cc1F ZINC000442759496 513772104 /nfs/dbraw/zinc/77/21/04/513772104.db2.gz RCQUFODVMRVITR-QWRGUYRKSA-N 1 3 358.255 2.586 20 0 FFADHO COCC[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000431067360 513818249 /nfs/dbraw/zinc/81/82/49/513818249.db2.gz WCVOUMRPVQAAIW-IFMALSPDSA-N 1 3 373.541 2.592 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)[C@@H](C)C1 ZINC000426341699 513908285 /nfs/dbraw/zinc/90/82/85/513908285.db2.gz FDDNKQQUXMJFHX-PXNSSMCTSA-N 1 3 371.525 2.765 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422719255 513911992 /nfs/dbraw/zinc/91/19/92/513911992.db2.gz YAGMGPQYLNOJKQ-IPMKNSEASA-N 1 3 350.528 2.502 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422719256 513912682 /nfs/dbraw/zinc/91/26/82/513912682.db2.gz YAGMGPQYLNOJKQ-OTWHNJEPSA-N 1 3 350.528 2.502 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cc(OC)ccc2OC)CC[NH2+]CC1 ZINC000422760632 513923904 /nfs/dbraw/zinc/92/39/04/513923904.db2.gz GUBOGVHPQTXYTA-GJZGRUSLSA-N 1 3 364.486 2.676 20 0 FFADHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422781630 513930617 /nfs/dbraw/zinc/93/06/17/513930617.db2.gz LVFFSLUYUOVEIG-CIAFKFPVSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787918 513931513 /nfs/dbraw/zinc/93/15/13/513931513.db2.gz MKCUYYLIPCEOPJ-IJEWVQPXSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787918 513931519 /nfs/dbraw/zinc/93/15/19/513931519.db2.gz MKCUYYLIPCEOPJ-IJEWVQPXSA-N 1 3 360.420 2.714 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000422799391 513936181 /nfs/dbraw/zinc/93/61/81/513936181.db2.gz WNDLCQBJZAVNDQ-ZDUSSCGKSA-N 1 3 374.403 2.996 20 0 FFADHO CC(=O)Nc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422810201 513938946 /nfs/dbraw/zinc/93/89/46/513938946.db2.gz TVGICXNMAILIHW-TZIWHRDSSA-N 1 3 351.450 2.991 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000422825621 513943661 /nfs/dbraw/zinc/94/36/61/513943661.db2.gz JVVKUXGVNIBMTQ-IPELMVKDSA-N 1 3 350.466 2.867 20 0 FFADHO OC1CCN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422832366 513945476 /nfs/dbraw/zinc/94/54/76/513945476.db2.gz FXDKTZHCQNDPBD-YPAWHYETSA-N 1 3 357.542 2.654 20 0 FFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccccc1Br ZINC000422838292 513946768 /nfs/dbraw/zinc/94/67/68/513946768.db2.gz OBXHBPZIEMKUHZ-UKTARXLSSA-N 1 3 357.292 2.558 20 0 FFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422845758 513950291 /nfs/dbraw/zinc/95/02/91/513950291.db2.gz CTVBMOMMMRRIAU-CTNGQTDRSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(CN2CCOCC2)CCCCC1 ZINC000422845758 513950300 /nfs/dbraw/zinc/95/03/00/513950300.db2.gz CTVBMOMMMRRIAU-CTNGQTDRSA-N 1 3 359.558 2.817 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000431647840 513956900 /nfs/dbraw/zinc/95/69/00/513956900.db2.gz LPLPVKVYQRKDDO-GOSISDBHSA-N 1 3 352.567 2.776 20 0 FFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422886704 513964887 /nfs/dbraw/zinc/96/48/87/513964887.db2.gz JQCQACZMZHTQEG-QFBILLFUSA-N 1 3 350.938 2.569 20 0 FFADHO COc1cc(OC)c(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c(OC)c1 ZINC000422891020 513966834 /nfs/dbraw/zinc/96/68/34/513966834.db2.gz UKDMAKSUEVWHIP-CYBMUJFWSA-N 1 3 359.470 2.768 20 0 FFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422894946 513968451 /nfs/dbraw/zinc/96/84/51/513968451.db2.gz DQOJMKILNUFZBF-GRDNDAEWSA-N 1 3 352.320 2.992 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416792705 513970173 /nfs/dbraw/zinc/97/01/73/513970173.db2.gz YMTPHGOGQYSBRP-QHAWAJNXSA-N 1 3 370.541 2.855 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1cccc(C(F)(F)F)c1 ZINC000422906774 513972403 /nfs/dbraw/zinc/97/24/03/513972403.db2.gz VRZUIPNUNWGTQL-VDHUWJSZSA-N 1 3 372.431 2.955 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NCCC(=O)N(C)Cc1ccccc1Br ZINC000422912885 513973681 /nfs/dbraw/zinc/97/36/81/513973681.db2.gz XFUURRVJYVIULQ-QWHCGFSZSA-N 1 3 356.308 2.513 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000416824202 513984221 /nfs/dbraw/zinc/98/42/21/513984221.db2.gz OYIDTHSQXHZZQH-AZUAARDMSA-N 1 3 374.529 2.664 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422944345 513986528 /nfs/dbraw/zinc/98/65/28/513986528.db2.gz MAWGNDXOMMXGLT-WMLDXEAASA-N 1 3 364.461 2.950 20 0 FFADHO COC[C@@H](CCC[NH3+])NCc1cc(Br)ccc1OC(F)F ZINC000422948010 513987142 /nfs/dbraw/zinc/98/71/42/513987142.db2.gz RJSAZMODFGZMLQ-GFCCVEGCSA-N 1 3 367.234 2.894 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)N2CCCC2)cc1 ZINC000416833938 513990068 /nfs/dbraw/zinc/99/00/68/513990068.db2.gz XOEKUEGMOKODPG-UXHICEINSA-N 1 3 374.529 2.649 20 0 FFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422953567 513990591 /nfs/dbraw/zinc/99/05/91/513990591.db2.gz FQUKUNMJCLYRTB-XUVXKRRUSA-N 1 3 361.555 2.804 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)N2CCCC2)cc1 ZINC000416833939 513990931 /nfs/dbraw/zinc/99/09/31/513990931.db2.gz XOEKUEGMOKODPG-VQTJNVASSA-N 1 3 374.529 2.649 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H](C)CCCC[NH3+])N2CCCC2)c1 ZINC000416839815 513993455 /nfs/dbraw/zinc/99/34/55/513993455.db2.gz DZSQKVRSFFWNMI-APWZRJJASA-N 1 3 362.518 2.649 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000431762898 513993655 /nfs/dbraw/zinc/99/36/55/513993655.db2.gz SQERMTNKSKXBOL-OAQYLSRUSA-N 1 3 369.509 2.936 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000416841654 513997387 /nfs/dbraw/zinc/99/73/87/513997387.db2.gz MDMHCRKPIVTDBT-UZLBHIALSA-N 1 3 352.482 2.780 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426625841 513998056 /nfs/dbraw/zinc/99/80/56/513998056.db2.gz OOTUCSJZBUCBMH-CVEARBPZSA-N 1 3 360.493 2.622 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426625841 513998064 /nfs/dbraw/zinc/99/80/64/513998064.db2.gz OOTUCSJZBUCBMH-CVEARBPZSA-N 1 3 360.493 2.622 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000416843631 513999291 /nfs/dbraw/zinc/99/92/91/513999291.db2.gz OZIMSWURMZZLSO-HZPDHXFCSA-N 1 3 350.532 2.526 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000414192016 514005033 /nfs/dbraw/zinc/00/50/33/514005033.db2.gz LTJJSXNJLWFKGV-LJQANCHMSA-N 1 3 359.558 2.739 20 0 FFADHO Cc1cccc(C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CC2)c1 ZINC000414191224 514005487 /nfs/dbraw/zinc/00/54/87/514005487.db2.gz LFMXZRSROLSQCK-JOCHJYFZSA-N 1 3 371.569 2.702 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000431803210 514008470 /nfs/dbraw/zinc/00/84/70/514008470.db2.gz XBEBHHAXGAVXMV-GGPKGHCWSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000431803210 514008473 /nfs/dbraw/zinc/00/84/73/514008473.db2.gz XBEBHHAXGAVXMV-GGPKGHCWSA-N 1 3 365.562 2.599 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)(N2CCOCC2)CC1 ZINC000414199172 514008892 /nfs/dbraw/zinc/00/88/92/514008892.db2.gz QVDISQSDDMVAPY-FCHUYYIVSA-N 1 3 371.569 2.784 20 0 FFADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443680679 514021435 /nfs/dbraw/zinc/02/14/35/514021435.db2.gz BWGRFFCYANGSKH-QGZVFWFLSA-N 1 3 352.567 2.870 20 0 FFADHO Cc1ccccc1C[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423061738 514024047 /nfs/dbraw/zinc/02/40/47/514024047.db2.gz RNCRBNIUEXQRMB-SYYKKAFVSA-N 1 3 352.478 2.744 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2c(Cl)cccc2OC)CC[NH2+]CC1 ZINC000423068293 514025548 /nfs/dbraw/zinc/02/55/48/514025548.db2.gz JLVHULWAPWOSQT-CYBMUJFWSA-N 1 3 354.878 2.760 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416893236 514028414 /nfs/dbraw/zinc/02/84/14/514028414.db2.gz BYNBHXGHUOMSOO-YLJYHZDGSA-N 1 3 358.530 2.989 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416893234 514028643 /nfs/dbraw/zinc/02/86/43/514028643.db2.gz BYNBHXGHUOMSOO-XLIONFOSSA-N 1 3 358.530 2.989 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1ccccc1Br ZINC000423077537 514031372 /nfs/dbraw/zinc/03/13/72/514031372.db2.gz UEUBSEOUWIIZRW-JKIFEVAISA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423077537 514031378 /nfs/dbraw/zinc/03/13/78/514031378.db2.gz UEUBSEOUWIIZRW-JKIFEVAISA-N 1 3 355.320 2.578 20 0 FFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000423081996 514034727 /nfs/dbraw/zinc/03/47/27/514034727.db2.gz DRGHRKUPQVWABT-IUODEOHRSA-N 1 3 354.292 2.662 20 0 FFADHO OC1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CCN(Cc2ccccc2)CC1 ZINC000414296980 514038313 /nfs/dbraw/zinc/03/83/13/514038313.db2.gz GAANKJJEXXHBBL-QHAWAJNXSA-N 1 3 370.537 2.951 20 0 FFADHO CCCN(C(=O)NCc1ccccc1CN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000416908896 514040467 /nfs/dbraw/zinc/04/04/67/514040467.db2.gz XDRQDZMXFYDINI-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO Cc1ccncc1[C@@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335156 514053393 /nfs/dbraw/zinc/05/33/93/514053393.db2.gz XYMMVICWJRQXLA-QGZVFWFLSA-N 1 3 366.509 2.938 20 0 FFADHO CC[C@@H](NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423157532 514063106 /nfs/dbraw/zinc/06/31/06/514063106.db2.gz VNTOXEHCFYGNCQ-RTWAWAEBSA-N 1 3 358.530 2.730 20 0 FFADHO Cc1ccc(C[C@H](CO)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000423162478 514066519 /nfs/dbraw/zinc/06/65/19/514066519.db2.gz PLFVJXIMWXFWAB-PMRDEQMMSA-N 1 3 367.331 2.781 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000416970592 514075994 /nfs/dbraw/zinc/07/59/94/514075994.db2.gz FIPHODOPNJVGFU-XLIONFOSSA-N 1 3 358.530 2.871 20 0 FFADHO C[C@H](CN1CCN(C)CC1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449121815 514081317 /nfs/dbraw/zinc/08/13/17/514081317.db2.gz JAFLQRRWQIUUJD-GOSISDBHSA-N 1 3 352.611 2.891 20 0 FFADHO C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000420305342 514082315 /nfs/dbraw/zinc/08/23/15/514082315.db2.gz PMCDIIURTZSOFP-QGZVFWFLSA-N 1 3 373.522 2.919 20 0 FFADHO C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000420305342 514082319 /nfs/dbraw/zinc/08/23/19/514082319.db2.gz PMCDIIURTZSOFP-QGZVFWFLSA-N 1 3 373.522 2.919 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000449126737 514084216 /nfs/dbraw/zinc/08/42/16/514084216.db2.gz VRUXHZBVIXMVJO-GOSISDBHSA-N 1 3 366.594 2.595 20 0 FFADHO C[C@H](C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000449130500 514086237 /nfs/dbraw/zinc/08/62/37/514086237.db2.gz GUXCNAGEBPDDMU-NHCUHLMSSA-N 1 3 372.601 2.555 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000416982408 514090670 /nfs/dbraw/zinc/09/06/70/514090670.db2.gz WLEPMTNBKQDDOF-FQEVSTJZSA-N 1 3 358.530 2.776 20 0 FFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1Br ZINC000420321870 514092797 /nfs/dbraw/zinc/09/27/97/514092797.db2.gz VTPUNWOYZYNDFU-ZDUSSCGKSA-N 1 3 354.292 2.981 20 0 FFADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000449163085 514098040 /nfs/dbraw/zinc/09/80/40/514098040.db2.gz UXFJDOAFTBWXAT-ZDUSSCGKSA-N 1 3 357.420 2.736 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000423290237 514100402 /nfs/dbraw/zinc/10/04/02/514100402.db2.gz CNKMTQYEJDRRSH-HUUCEWRRSA-N 1 3 361.511 2.807 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423294110 514103176 /nfs/dbraw/zinc/10/31/76/514103176.db2.gz SWTRTRDNDXAKEN-GJZGRUSLSA-N 1 3 361.511 2.821 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CCCNCC3)cc2)C1 ZINC000417000282 514106714 /nfs/dbraw/zinc/10/67/14/514106714.db2.gz YWYBPUVOMPYQLD-HDICACEKSA-N 1 3 358.530 2.669 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCCNCC3)cc2)C1 ZINC000417000282 514106720 /nfs/dbraw/zinc/10/67/20/514106720.db2.gz YWYBPUVOMPYQLD-HDICACEKSA-N 1 3 358.530 2.669 20 0 FFADHO CC[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417003940 514110048 /nfs/dbraw/zinc/11/00/48/514110048.db2.gz CCERVKQBUQTMOG-PXNSSMCTSA-N 1 3 358.530 2.512 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417009013 514113605 /nfs/dbraw/zinc/11/36/05/514113605.db2.gz JRSZKDTXAVYVLR-NSISKUIASA-N 1 3 358.530 2.592 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000420380866 514116425 /nfs/dbraw/zinc/11/64/25/514116425.db2.gz OONLYHUTKKCYDR-UYAOXDASSA-N 1 3 370.497 2.888 20 0 FFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000420380864 514116515 /nfs/dbraw/zinc/11/65/15/514116515.db2.gz OONLYHUTKKCYDR-ICSRJNTNSA-N 1 3 370.497 2.888 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000423371076 514120166 /nfs/dbraw/zinc/12/01/66/514120166.db2.gz HJJYVDOGAINCKL-MOPGFXCFSA-N 1 3 361.530 2.590 20 0 FFADHO Cc1ccc2c(c1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423376373 514122002 /nfs/dbraw/zinc/12/20/02/514122002.db2.gz DNCQGMBGDIOQEM-RDJZCZTQSA-N 1 3 357.420 2.634 20 0 FFADHO CN1CCO[C@H]([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423448777 514143469 /nfs/dbraw/zinc/14/34/69/514143469.db2.gz VPFPCMHUSALAMO-YRPNKDGESA-N 1 3 363.933 2.689 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccc(C(C)(C)C)s2)(N2CCOCC2)CC1 ZINC000414478458 514144370 /nfs/dbraw/zinc/14/43/70/514144370.db2.gz FHJLIXUIVIFOME-UHFFFAOYSA-N 1 3 365.587 2.932 20 0 FFADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000444181999 514147293 /nfs/dbraw/zinc/14/72/93/514147293.db2.gz KVZSLYNVZDHQOR-KSEOMHKRSA-N 1 3 353.510 2.501 20 0 FFADHO CN(CCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)Cc1ccccc1 ZINC000449317217 514163086 /nfs/dbraw/zinc/16/30/86/514163086.db2.gz RFLHKRWSERLUBE-JOCHJYFZSA-N 1 3 351.494 2.556 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000427271905 514167357 /nfs/dbraw/zinc/16/73/57/514167357.db2.gz HIZWEXLBLNKYNI-SFHVURJKSA-N 1 3 358.530 2.542 20 0 FFADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3cccc(F)c3)cc2)CC1 ZINC000414553736 514175624 /nfs/dbraw/zinc/17/56/24/514175624.db2.gz JRYLHAAQYPOVGD-UHFFFAOYSA-N 1 3 355.457 2.813 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)CC1 ZINC000414565139 514183104 /nfs/dbraw/zinc/18/31/04/514183104.db2.gz YIHGDUPBJJZYFW-OAQYLSRUSA-N 1 3 359.514 2.604 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)CC1 ZINC000414565139 514183108 /nfs/dbraw/zinc/18/31/08/514183108.db2.gz YIHGDUPBJJZYFW-OAQYLSRUSA-N 1 3 359.514 2.604 20 0 FFADHO COC[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](COC)CC3)COC2)CC1 ZINC000452109759 514197031 /nfs/dbraw/zinc/19/70/31/514197031.db2.gz XFAZYNCOXXSKHF-WOJBJXKFSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](COC)CC3)COC2)CC1 ZINC000452109759 514197036 /nfs/dbraw/zinc/19/70/36/514197036.db2.gz XFAZYNCOXXSKHF-WOJBJXKFSA-N 1 3 368.562 2.500 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437651008 514203034 /nfs/dbraw/zinc/20/30/34/514203034.db2.gz CKDSODPMGYKZTD-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437651008 514203040 /nfs/dbraw/zinc/20/30/40/514203040.db2.gz CKDSODPMGYKZTD-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000417166910 514204952 /nfs/dbraw/zinc/20/49/52/514204952.db2.gz YVUQVHNPYSXCLZ-OXJNMPFZSA-N 1 3 354.498 2.871 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000423744980 514216704 /nfs/dbraw/zinc/21/67/04/514216704.db2.gz OYVLYWIYBYCYNP-HXUWFJFHSA-N 1 3 357.473 2.978 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c2ccccc2)CC1 ZINC000417212956 514234738 /nfs/dbraw/zinc/23/47/38/514234738.db2.gz IJNNHSJSOJCVHJ-SJORKVTESA-N 1 3 368.472 2.741 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2)CC1 ZINC000417217131 514237871 /nfs/dbraw/zinc/23/78/71/514237871.db2.gz QLNBHLJMFBPCGM-NJDAHSKKSA-N 1 3 370.541 2.853 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2)CC1 ZINC000417217133 514238186 /nfs/dbraw/zinc/23/81/86/514238186.db2.gz QLNBHLJMFBPCGM-PWRODBHTSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000417223590 514243621 /nfs/dbraw/zinc/24/36/21/514243621.db2.gz SPFZMMRNZVLRGL-SLYNCCJLSA-N 1 3 356.514 2.607 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)C1 ZINC000414700235 514247958 /nfs/dbraw/zinc/24/79/58/514247958.db2.gz FXDQKMLMQMWDRX-LEWJYISDSA-N 1 3 357.542 2.919 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)C1 ZINC000414700235 514247963 /nfs/dbraw/zinc/24/79/63/514247963.db2.gz FXDQKMLMQMWDRX-LEWJYISDSA-N 1 3 357.542 2.919 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)N(C)C)cc1 ZINC000417303028 514283717 /nfs/dbraw/zinc/28/37/17/514283717.db2.gz CYSWDWAVXFPONV-AQNXPRMDSA-N 1 3 358.530 2.629 20 0 FFADHO COc1ccc(C[C@@H](C)C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1F ZINC000414787230 514293534 /nfs/dbraw/zinc/29/35/34/514293534.db2.gz VNYCNEVNFZORJS-WBVHZDCISA-N 1 3 350.478 2.700 20 0 FFADHO COc1ccc(C[C@@H](C)C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1F ZINC000414787230 514293538 /nfs/dbraw/zinc/29/35/38/514293538.db2.gz VNYCNEVNFZORJS-WBVHZDCISA-N 1 3 350.478 2.700 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417320829 514293952 /nfs/dbraw/zinc/29/39/52/514293952.db2.gz AREMIWMQFUFXTP-SOLBZPMBSA-N 1 3 350.551 2.526 20 0 FFADHO [NH3+]C[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2)CC12CCOCC2 ZINC000414796905 514298102 /nfs/dbraw/zinc/29/81/02/514298102.db2.gz XYRBAXQVYRZFBB-OAHLLOKOSA-N 1 3 358.404 2.815 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000417356842 514309529 /nfs/dbraw/zinc/30/95/29/514309529.db2.gz QGRPFRYKJZKFMV-WOJBJXKFSA-N 1 3 358.530 2.963 20 0 FFADHO Fc1ccc(I)c(F)c1CNCC[C@@H]1CC[NH2+]C1 ZINC000414832292 514315522 /nfs/dbraw/zinc/31/55/22/514315522.db2.gz OJTAAPZNXBKFAZ-VIFPVBQESA-N 1 3 366.193 2.659 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417367743 514316490 /nfs/dbraw/zinc/31/64/90/514316490.db2.gz PFMXWZFNIZZMKZ-IRXDYDNUSA-N 1 3 364.559 2.649 20 0 FFADHO C[NH2+]CCCN(C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000424037725 514352918 /nfs/dbraw/zinc/35/29/18/514352918.db2.gz WNDOQNCABWEOTM-KRWDZBQOSA-N 1 3 357.420 2.509 20 0 FFADHO [NH3+][C@H](CCC(=O)Nc1ccc(N2CCNCC2)cn1)CC1CCCCC1 ZINC000424060196 514361738 /nfs/dbraw/zinc/36/17/38/514361738.db2.gz PLZOEJLIENPFEW-QGZVFWFLSA-N 1 3 359.518 2.508 20 0 FFADHO [NH3+][C@@H](CCC(=O)Nc1ccc(N2CCNCC2)cn1)CC1CCCCC1 ZINC000424060194 514361837 /nfs/dbraw/zinc/36/18/37/514361837.db2.gz PLZOEJLIENPFEW-KRWDZBQOSA-N 1 3 359.518 2.508 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414956224 514374966 /nfs/dbraw/zinc/37/49/66/514374966.db2.gz VASWLJCEOWZTIO-TYNCELHUSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414956224 514374972 /nfs/dbraw/zinc/37/49/72/514374972.db2.gz VASWLJCEOWZTIO-TYNCELHUSA-N 1 3 354.292 2.896 20 0 FFADHO FC(F)(F)[C@@H](CNCc1cc(Cl)cc2cccnc21)N1CC[NH2+]CC1 ZINC000414964826 514379276 /nfs/dbraw/zinc/37/92/76/514379276.db2.gz CKDFSQDLBLXPFD-OAHLLOKOSA-N 1 3 372.822 2.814 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417533577 514395815 /nfs/dbraw/zinc/39/58/15/514395815.db2.gz NBYJEKLLHPOCHP-JFIYKMOQSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H](CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC[NH2+]CC1 ZINC000424215049 514418465 /nfs/dbraw/zinc/41/84/65/514418465.db2.gz DQHBZSFIYGGBJH-JRGCBEDISA-N 1 3 355.526 2.745 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000415086187 514437271 /nfs/dbraw/zinc/43/72/71/514437271.db2.gz RJVXLIJINPMSQB-ZHNGQKSSSA-N 1 3 373.541 2.788 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000415112038 514447842 /nfs/dbraw/zinc/44/78/42/514447842.db2.gz COTWKDBQVTTWKQ-RXVVDRJESA-N 1 3 369.484 2.896 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(OC(F)F)cc1)CC[NH2+]CC2 ZINC000424302393 514452277 /nfs/dbraw/zinc/45/22/77/514452277.db2.gz ZJIYRFFILBDMKF-ZDUSSCGKSA-N 1 3 353.413 2.691 20 0 FFADHO C[N@H+](C[C@@H](O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433320782 514457987 /nfs/dbraw/zinc/45/79/87/514457987.db2.gz SXLBXOJKURALCQ-MAUKXSAKSA-N 1 3 367.331 2.769 20 0 FFADHO C[N@@H+](C[C@@H](O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433320782 514457992 /nfs/dbraw/zinc/45/79/92/514457992.db2.gz SXLBXOJKURALCQ-MAUKXSAKSA-N 1 3 367.331 2.769 20 0 FFADHO COc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1F ZINC000415134265 514460864 /nfs/dbraw/zinc/46/08/64/514460864.db2.gz OIDUSPPLSDTFHL-UHFFFAOYSA-N 1 3 357.473 2.917 20 0 FFADHO Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc(C)c1OC(F)F ZINC000415137202 514463298 /nfs/dbraw/zinc/46/32/98/514463298.db2.gz XXYINXMWEBZVTK-MRXNPFEDSA-N 1 3 365.428 2.792 20 0 FFADHO Cc1cc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc(C)c1OC(F)F ZINC000415137202 514463299 /nfs/dbraw/zinc/46/32/99/514463299.db2.gz XXYINXMWEBZVTK-MRXNPFEDSA-N 1 3 365.428 2.792 20 0 FFADHO COc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000415139888 514464771 /nfs/dbraw/zinc/46/47/71/514464771.db2.gz XLNDADJJNBEDAS-UHFFFAOYSA-N 1 3 369.509 2.787 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000439156103 514501692 /nfs/dbraw/zinc/50/16/92/514501692.db2.gz QFKBTQDTXHTZMX-LSWJPFSZSA-N 1 3 369.553 2.765 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000439156103 514501696 /nfs/dbraw/zinc/50/16/96/514501696.db2.gz QFKBTQDTXHTZMX-LSWJPFSZSA-N 1 3 369.553 2.765 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465947221 514528648 /nfs/dbraw/zinc/52/86/48/514528648.db2.gz IJZUUMQFZZDLCM-HXUWFJFHSA-N 1 3 372.557 2.649 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465947221 514528654 /nfs/dbraw/zinc/52/86/54/514528654.db2.gz IJZUUMQFZZDLCM-HXUWFJFHSA-N 1 3 372.557 2.649 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466010531 514538878 /nfs/dbraw/zinc/53/88/78/514538878.db2.gz ATHMEUJABFMWRN-HLIPFELVSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466010531 514538883 /nfs/dbraw/zinc/53/88/83/514538883.db2.gz ATHMEUJABFMWRN-HLIPFELVSA-N 1 3 358.530 2.994 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[C@H]1c1cccs1 ZINC000466018881 514540739 /nfs/dbraw/zinc/54/07/39/514540739.db2.gz RUJQUHPHPWUNCV-VKJFTORMSA-N 1 3 362.543 2.667 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[C@H]1c1cccs1 ZINC000466018881 514540746 /nfs/dbraw/zinc/54/07/46/514540746.db2.gz RUJQUHPHPWUNCV-VKJFTORMSA-N 1 3 362.543 2.667 20 0 FFADHO O[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)COCC1CC1 ZINC000453089804 514542054 /nfs/dbraw/zinc/54/20/54/514542054.db2.gz OZWRPTZNLZNFDQ-GXRSIYKFSA-N 1 3 358.526 2.807 20 0 FFADHO O[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)COCC1CC1 ZINC000453089804 514542056 /nfs/dbraw/zinc/54/20/56/514542056.db2.gz OZWRPTZNLZNFDQ-GXRSIYKFSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCN1C ZINC000466048634 514547838 /nfs/dbraw/zinc/54/78/38/514547838.db2.gz JQUITRZUQZHDPQ-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCN1C ZINC000466048634 514547842 /nfs/dbraw/zinc/54/78/42/514547842.db2.gz JQUITRZUQZHDPQ-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475118348 514564019 /nfs/dbraw/zinc/56/40/19/514564019.db2.gz NHWZCDVVELWRCI-CTNGQTDRSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475118348 514564022 /nfs/dbraw/zinc/56/40/22/514564022.db2.gz NHWZCDVVELWRCI-CTNGQTDRSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000466151090 514566994 /nfs/dbraw/zinc/56/69/94/514566994.db2.gz YOPUMCVVYBSEED-HKUYNNGSSA-N 1 3 362.562 2.957 20 0 FFADHO Cc1cc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cs1 ZINC000453182483 514567099 /nfs/dbraw/zinc/56/70/99/514567099.db2.gz MKKXGZGWJQHRLD-LPHOPBHVSA-N 1 3 359.539 2.996 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466209761 514577936 /nfs/dbraw/zinc/57/79/36/514577936.db2.gz JQFIYGYEYQCTJY-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CCc2ccccc2C1 ZINC000466220848 514580522 /nfs/dbraw/zinc/58/05/22/514580522.db2.gz DHFCUAFBQBZYIN-BSIFCXSSSA-N 1 3 370.541 2.605 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1CCc2ccccc2C1 ZINC000466220848 514580527 /nfs/dbraw/zinc/58/05/27/514580527.db2.gz DHFCUAFBQBZYIN-BSIFCXSSSA-N 1 3 370.541 2.605 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000466227579 514584003 /nfs/dbraw/zinc/58/40/03/514584003.db2.gz PIUNWRXJEQKWQV-NEWSRXKRSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000475269213 514595988 /nfs/dbraw/zinc/59/59/88/514595988.db2.gz MSYIARVQZZIACN-HKUYNNGSSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475270586 514598573 /nfs/dbraw/zinc/59/85/73/514598573.db2.gz RPDXSAMMKXHTAR-NHCUHLMSSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475270586 514598585 /nfs/dbraw/zinc/59/85/85/514598585.db2.gz RPDXSAMMKXHTAR-NHCUHLMSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCCN1C ZINC000466319243 514608454 /nfs/dbraw/zinc/60/84/54/514608454.db2.gz TYJVVSWNXGTEQZ-JWUVWSEFSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCCN1C ZINC000466319243 514608464 /nfs/dbraw/zinc/60/84/64/514608464.db2.gz TYJVVSWNXGTEQZ-JWUVWSEFSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000453402126 514620377 /nfs/dbraw/zinc/62/03/77/514620377.db2.gz PRJPBKVSFWUECX-ILZDJORESA-N 1 3 372.513 2.931 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488959608 514650730 /nfs/dbraw/zinc/65/07/30/514650730.db2.gz DAAIXTBNESKLKP-JTJHWIPRSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488959608 514650740 /nfs/dbraw/zinc/65/07/40/514650740.db2.gz DAAIXTBNESKLKP-JTJHWIPRSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000497835250 514654194 /nfs/dbraw/zinc/65/41/94/514654194.db2.gz DZOQEEJUSGRGFT-XKGZKEIXSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000497835250 514654205 /nfs/dbraw/zinc/65/42/05/514654205.db2.gz DZOQEEJUSGRGFT-XKGZKEIXSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000466542054 514682971 /nfs/dbraw/zinc/68/29/71/514682971.db2.gz LSAQEYBGTMVIFS-FUHIMQAGSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H](CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000466542054 514682976 /nfs/dbraw/zinc/68/29/76/514682976.db2.gz LSAQEYBGTMVIFS-FUHIMQAGSA-N 1 3 358.530 2.679 20 0 FFADHO c1ccc(-c2nccc(N3CCN(CCC4CC[NH2+]CC4)CC3)n2)cc1 ZINC000479698699 514691670 /nfs/dbraw/zinc/69/16/70/514691670.db2.gz FDFNPOUKMLOJBX-UHFFFAOYSA-N 1 3 351.498 2.655 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000458392265 514758809 /nfs/dbraw/zinc/75/88/09/514758809.db2.gz AXABULFUBRBEGK-VQTJNVASSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000458392265 514758821 /nfs/dbraw/zinc/75/88/21/514758821.db2.gz AXABULFUBRBEGK-VQTJNVASSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000489251243 514770254 /nfs/dbraw/zinc/77/02/54/514770254.db2.gz KJOJCMDAIACDNX-SBHAEUEKSA-N 1 3 372.557 2.928 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)[NH+]1CCCC1 ZINC000498126070 514773126 /nfs/dbraw/zinc/77/31/26/514773126.db2.gz MTKVKKIXUUVUNH-QYZOEREBSA-N 1 3 350.551 2.623 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)[C@@H]1c1cccs1 ZINC000458419597 514781822 /nfs/dbraw/zinc/78/18/22/514781822.db2.gz HIZXKZSPVTWAAO-GDBMZVCRSA-N 1 3 352.548 2.770 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)CC1 ZINC000502829469 514797776 /nfs/dbraw/zinc/79/77/76/514797776.db2.gz YXRSLOBNXQSNNA-TXQGORRRSA-N 1 3 350.551 2.811 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccccc1 ZINC000498199438 514800772 /nfs/dbraw/zinc/80/07/72/514800772.db2.gz XVRWOWPQIXPQQQ-ZJOUEHCJSA-N 1 3 361.530 2.720 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000484903323 514837634 /nfs/dbraw/zinc/83/76/34/514837634.db2.gz FCPCHBGENVPNST-MNOVXSKESA-N 1 3 358.255 2.586 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)c1ccsc1 ZINC000502917364 514841792 /nfs/dbraw/zinc/84/17/92/514841792.db2.gz JASUFPWIHYRAPA-RDJZCZTQSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccsc1 ZINC000502917364 514841803 /nfs/dbraw/zinc/84/18/03/514841803.db2.gz JASUFPWIHYRAPA-RDJZCZTQSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN(C2CC2)C1 ZINC000458502407 514851122 /nfs/dbraw/zinc/85/11/22/514851122.db2.gz UDIOWIXVJZNMPC-QGZVFWFLSA-N 1 3 362.562 2.909 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCN(C)C[C@H]3C)CC2)c1 ZINC000480227276 514889818 /nfs/dbraw/zinc/88/98/18/514889818.db2.gz PUCBFTRCYLSXMW-IRLDBZIGSA-N 1 3 358.574 2.827 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000462206342 514941947 /nfs/dbraw/zinc/94/19/47/514941947.db2.gz BJKZVXJSXRSSCB-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000462218261 514946779 /nfs/dbraw/zinc/94/67/79/514946779.db2.gz GNLDNLBYZKQDIN-ZIFCJYIRSA-N 1 3 360.546 2.782 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000503197285 514953743 /nfs/dbraw/zinc/95/37/43/514953743.db2.gz ISOCRFQYLIHBLG-MOPGFXCFSA-N 1 3 371.525 2.965 20 0 FFADHO CN(c1ccccc1CN1CCC[C@]2(CC[NH2+]C2)C1)C1CCN(C)CC1 ZINC000489966198 515050985 /nfs/dbraw/zinc/05/09/85/515050985.db2.gz OYDYEZRQKKBMEL-JOCHJYFZSA-N 1 3 356.558 2.793 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000503690561 515119468 /nfs/dbraw/zinc/11/94/68/515119468.db2.gz PRHNXJGGTNRRPK-APWZRJJASA-N 1 3 358.530 2.994 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000499101638 515199951 /nfs/dbraw/zinc/19/99/51/515199951.db2.gz OQTIABOZVQBCMZ-KURKYZTESA-N 1 3 350.482 2.600 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccco1 ZINC000509568035 515236617 /nfs/dbraw/zinc/23/66/17/515236617.db2.gz KJABSXVWTAPNBB-IRXDYDNUSA-N 1 3 362.518 2.979 20 0 FFADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN(C)[C@@H](C(C)C)C1)c1ccco1 ZINC000509568741 515237389 /nfs/dbraw/zinc/23/73/89/515237389.db2.gz BBPDMMBEZZVVDO-GVDBMIGSSA-N 1 3 350.507 2.690 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccco1 ZINC000499211041 515240603 /nfs/dbraw/zinc/24/06/03/515240603.db2.gz MEBCDBUQPCMEKE-RCCFBDPRSA-N 1 3 364.534 2.986 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000499211041 515240614 /nfs/dbraw/zinc/24/06/14/515240614.db2.gz MEBCDBUQPCMEKE-RCCFBDPRSA-N 1 3 364.534 2.986 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccco1 ZINC000509576277 515240690 /nfs/dbraw/zinc/24/06/90/515240690.db2.gz DUZDSDYAEIGACR-ULQDDVLXSA-N 1 3 350.507 2.835 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000472353199 515241159 /nfs/dbraw/zinc/24/11/59/515241159.db2.gz YUXXNTRCAJEGBG-ICSRJNTNSA-N 1 3 357.542 2.929 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccco1 ZINC000509577336 515241703 /nfs/dbraw/zinc/24/17/03/515241703.db2.gz LYKZBNXDXXJSNN-FUHWJXTLSA-N 1 3 362.518 2.979 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)[C@@H]2C1 ZINC000458980142 515246196 /nfs/dbraw/zinc/24/61/96/515246196.db2.gz RLQRREBEEXSYAV-WOJBJXKFSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)[C@@H]2C1 ZINC000458980142 515246203 /nfs/dbraw/zinc/24/62/03/515246203.db2.gz RLQRREBEEXSYAV-WOJBJXKFSA-N 1 3 370.541 2.777 20 0 FFADHO OCCN1CCN(CCCC[NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000462795217 515249584 /nfs/dbraw/zinc/24/95/84/515249584.db2.gz PQHLSRJRHAOYDB-UHFFFAOYSA-N 1 3 359.558 2.824 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000462892287 515285158 /nfs/dbraw/zinc/28/51/58/515285158.db2.gz VWRWOWRNOBVXDR-BULFRSBZSA-N 1 3 369.553 2.834 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000477064430 515311862 /nfs/dbraw/zinc/31/18/62/515311862.db2.gz GLASRABLIOKFLX-HXUWFJFHSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000477064430 515311867 /nfs/dbraw/zinc/31/18/67/515311867.db2.gz GLASRABLIOKFLX-HXUWFJFHSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)NC2CCN(C3CC3)CC2)CCC1 ZINC000454221078 515317855 /nfs/dbraw/zinc/31/78/55/515317855.db2.gz WYOCSPWZJVNJOK-UHFFFAOYSA-N 1 3 370.541 2.967 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC2CCN(C3CC3)CC2)CCC1 ZINC000454221078 515317866 /nfs/dbraw/zinc/31/78/66/515317866.db2.gz WYOCSPWZJVNJOK-UHFFFAOYSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)C1 ZINC000490890010 515326910 /nfs/dbraw/zinc/32/69/10/515326910.db2.gz QUOMTZCITWSJBV-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)C1 ZINC000490890010 515326918 /nfs/dbraw/zinc/32/69/18/515326918.db2.gz QUOMTZCITWSJBV-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO CC(C)[NH+](CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000463000389 515329102 /nfs/dbraw/zinc/32/91/02/515329102.db2.gz BBZLUSRBPWNCHW-QUCCMNQESA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)O[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1(C)C ZINC000463030656 515340582 /nfs/dbraw/zinc/34/05/82/515340582.db2.gz UEUMTGHIQDNQLO-PMACEKPBSA-N 1 3 360.546 2.775 20 0 FFADHO CC(C)O[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1(C)C ZINC000463030658 515340652 /nfs/dbraw/zinc/34/06/52/515340652.db2.gz UEUMTGHIQDNQLO-VQTJNVASSA-N 1 3 360.546 2.775 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000491012712 515355350 /nfs/dbraw/zinc/35/53/50/515355350.db2.gz YKNYRARFEDQPEB-NFBKMPQASA-N 1 3 370.585 2.657 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2ccccc21 ZINC000499527566 515359786 /nfs/dbraw/zinc/35/97/86/515359786.db2.gz LIZKYSPZFUMKPQ-FPOVZHCZSA-N 1 3 357.542 2.981 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2ccccc21 ZINC000499527566 515359796 /nfs/dbraw/zinc/35/97/96/515359796.db2.gz LIZKYSPZFUMKPQ-FPOVZHCZSA-N 1 3 357.542 2.981 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@@H]3CN(CCN4CCCOCC4)CC[C@@H]32)cc1 ZINC000463109383 515371552 /nfs/dbraw/zinc/37/15/52/515371552.db2.gz QSWQFTLLJOPRHK-YADHBBJMSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCN4CCCOCC4)CC[C@@H]32)cc1 ZINC000463109383 515371560 /nfs/dbraw/zinc/37/15/60/515371560.db2.gz QSWQFTLLJOPRHK-YADHBBJMSA-N 1 3 357.542 2.695 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504881906 515401458 /nfs/dbraw/zinc/40/14/58/515401458.db2.gz KWDJDPLXZGRCRE-FQEVSTJZSA-N 1 3 358.530 2.826 20 0 FFADHO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504889286 515402363 /nfs/dbraw/zinc/40/23/63/515402363.db2.gz OHIOROJGBOYCLO-HXUWFJFHSA-N 1 3 360.546 2.880 20 0 FFADHO C[N@H+](CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000454340151 515412810 /nfs/dbraw/zinc/41/28/10/515412810.db2.gz MTNKTVAKKBIHTO-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000454340151 515412818 /nfs/dbraw/zinc/41/28/18/515412818.db2.gz MTNKTVAKKBIHTO-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000486313204 515431250 /nfs/dbraw/zinc/43/12/50/515431250.db2.gz ARJXQIHUIQTVQS-QFBILLFUSA-N 1 3 363.933 2.962 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000486313204 515431259 /nfs/dbraw/zinc/43/12/59/515431259.db2.gz ARJXQIHUIQTVQS-QFBILLFUSA-N 1 3 363.933 2.962 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000459329546 515476107 /nfs/dbraw/zinc/47/61/07/515476107.db2.gz YXUJJVZUVIRJQZ-MAUKXSAKSA-N 1 3 366.937 2.974 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000459329546 515476110 /nfs/dbraw/zinc/47/61/10/515476110.db2.gz YXUJJVZUVIRJQZ-MAUKXSAKSA-N 1 3 366.937 2.974 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000454463122 515508551 /nfs/dbraw/zinc/50/85/51/515508551.db2.gz USRKPIWSKQZZSL-OALUTQOASA-N 1 3 362.562 2.765 20 0 FFADHO CC[C@@H]1CC[C@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000454464547 515509918 /nfs/dbraw/zinc/50/99/18/515509918.db2.gz VPKOWVQFCOGTCD-DLBZAZTESA-N 1 3 350.551 2.765 20 0 FFADHO O=C(C1CCCCC1)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459433326 515549382 /nfs/dbraw/zinc/54/93/82/515549382.db2.gz GNKGQSZXRCLXNY-LJQANCHMSA-N 1 3 356.514 2.821 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000510511520 515560623 /nfs/dbraw/zinc/56/06/23/515560623.db2.gz LRZXJAIBLHTEQG-KRWDZBQOSA-N 1 3 358.530 2.978 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000468901766 515574513 /nfs/dbraw/zinc/57/45/13/515574513.db2.gz JBDJBNXINFGJBI-AZUAARDMSA-N 1 3 373.541 2.600 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000468901766 515574521 /nfs/dbraw/zinc/57/45/21/515574521.db2.gz JBDJBNXINFGJBI-AZUAARDMSA-N 1 3 373.541 2.600 20 0 FFADHO OCCN1CCN(CCCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000493010476 515588284 /nfs/dbraw/zinc/58/82/84/515588284.db2.gz QZRYMRUOEFTDRD-UHFFFAOYSA-N 1 3 367.537 2.756 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCCC1 ZINC000510573753 515592027 /nfs/dbraw/zinc/59/20/27/515592027.db2.gz NVCKNNQZLJSTOV-VQIMIIECSA-N 1 3 350.551 2.837 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCCCCC1 ZINC000510575474 515592686 /nfs/dbraw/zinc/59/26/86/515592686.db2.gz UAZFOKDYPPMADA-HKUYNNGSSA-N 1 3 350.551 2.837 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000505691656 515633900 /nfs/dbraw/zinc/63/39/00/515633900.db2.gz JHHHEAFMUSGHFD-AABGKKOBSA-N 1 3 358.530 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000505691656 515633912 /nfs/dbraw/zinc/63/39/12/515633912.db2.gz JHHHEAFMUSGHFD-AABGKKOBSA-N 1 3 358.530 2.778 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1Cl ZINC000505726360 515646220 /nfs/dbraw/zinc/64/62/20/515646220.db2.gz RBIYDCASGPZGTK-HNNXBMFYSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1Cl ZINC000505726360 515646226 /nfs/dbraw/zinc/64/62/26/515646226.db2.gz RBIYDCASGPZGTK-HNNXBMFYSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccc(OC)c1 ZINC000505764635 515661153 /nfs/dbraw/zinc/66/11/53/515661153.db2.gz BNWAYZUCWSMZAN-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccc(OC)c1 ZINC000505764635 515661159 /nfs/dbraw/zinc/66/11/59/515661159.db2.gz BNWAYZUCWSMZAN-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000457120259 515666702 /nfs/dbraw/zinc/66/67/02/515666702.db2.gz OAZQEONJYRXMQH-OAQYLSRUSA-N 1 3 372.557 2.772 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000457120259 515666713 /nfs/dbraw/zinc/66/67/13/515666713.db2.gz OAZQEONJYRXMQH-OAQYLSRUSA-N 1 3 372.557 2.772 20 0 FFADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C[C@H]1c1ccccc1 ZINC000464080478 515704405 /nfs/dbraw/zinc/70/44/05/515704405.db2.gz CGPHWDZEYXWJLM-LEWJYISDSA-N 1 3 359.558 2.548 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482564716 515720924 /nfs/dbraw/zinc/72/09/24/515720924.db2.gz LGXJCYNMKJCZDY-NJYVYQBISA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482564716 515720929 /nfs/dbraw/zinc/72/09/29/515720929.db2.gz LGXJCYNMKJCZDY-NJYVYQBISA-N 1 3 370.541 2.777 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000469221233 515727217 /nfs/dbraw/zinc/72/72/17/515727217.db2.gz XKWBIMFGMWHNLU-LJQANCHMSA-N 1 3 372.513 2.922 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000473887997 515789833 /nfs/dbraw/zinc/78/98/33/515789833.db2.gz YHCGXDJLFCOKBO-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000473893698 515792766 /nfs/dbraw/zinc/79/27/66/515792766.db2.gz IGSNIDVVWYLLAS-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454972223 515866381 /nfs/dbraw/zinc/86/63/81/515866381.db2.gz MCXOSJRUJISMNO-RTBURBONSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454972223 515866390 /nfs/dbraw/zinc/86/63/90/515866390.db2.gz MCXOSJRUJISMNO-RTBURBONSA-N 1 3 360.546 2.879 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccco1 ZINC000494589088 515891832 /nfs/dbraw/zinc/89/18/32/515891832.db2.gz ZTKFZVZJNKLZIW-DOTOQJQBSA-N 1 3 350.507 2.740 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000457483840 515905566 /nfs/dbraw/zinc/90/55/66/515905566.db2.gz QOEWLGSEGFJWAP-VQTJNVASSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000457483840 515905579 /nfs/dbraw/zinc/90/55/79/515905579.db2.gz QOEWLGSEGFJWAP-VQTJNVASSA-N 1 3 360.546 2.976 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000469702458 515924763 /nfs/dbraw/zinc/92/47/63/515924763.db2.gz QRYXZGFBGPDDCY-HNNXBMFYSA-N 1 3 364.538 2.556 20 0 FFADHO Cc1ccccc1OC[C@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501048457 515951722 /nfs/dbraw/zinc/95/17/22/515951722.db2.gz HFQSNUMTSFIYHK-OAQYLSRUSA-N 1 3 369.509 2.978 20 0 FFADHO Cc1ccccc1OC[C@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501048457 515951726 /nfs/dbraw/zinc/95/17/26/515951726.db2.gz HFQSNUMTSFIYHK-OAQYLSRUSA-N 1 3 369.509 2.978 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@@H](C)C1 ZINC000487818522 515990466 /nfs/dbraw/zinc/99/04/66/515990466.db2.gz JCKFGWDIONOSLO-QKLQHJQFSA-N 1 3 358.530 2.620 20 0 FFADHO CCCOc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469859831 516001547 /nfs/dbraw/zinc/00/15/47/516001547.db2.gz CCPAQOKMFQEDOO-AZUAARDMSA-N 1 3 359.514 2.556 20 0 FFADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCc3nn(C)cc32)c1 ZINC000479064613 516044025 /nfs/dbraw/zinc/04/40/25/516044025.db2.gz GXGJQBLMAVOOTE-FQEVSTJZSA-N 1 3 372.513 2.544 20 0 FFADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCc3nn(C)cc32)c1 ZINC000479064613 516044031 /nfs/dbraw/zinc/04/40/31/516044031.db2.gz GXGJQBLMAVOOTE-FQEVSTJZSA-N 1 3 372.513 2.544 20 0 FFADHO CC[NH+]1CCC(CCN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479081416 516049339 /nfs/dbraw/zinc/04/93/39/516049339.db2.gz UBIONXYLBOBVRM-MRXNPFEDSA-N 1 3 367.559 2.723 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)C2)C1 ZINC000457682884 516067071 /nfs/dbraw/zinc/06/70/71/516067071.db2.gz CPYGQTOXVMRJIO-UYAOXDASSA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511893616 516069513 /nfs/dbraw/zinc/06/95/13/516069513.db2.gz CYWLCKRPJAJOKT-HBMCJLEFSA-N 1 3 355.526 2.855 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000469999941 516070438 /nfs/dbraw/zinc/07/04/38/516070438.db2.gz ORWCRIMLBFTFJB-GOSISDBHSA-N 1 3 353.466 2.766 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000501399152 516090678 /nfs/dbraw/zinc/09/06/78/516090678.db2.gz LMIIFIMHXYDSDN-LJQANCHMSA-N 1 3 350.551 2.767 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1 ZINC000479185657 516095086 /nfs/dbraw/zinc/09/50/86/516095086.db2.gz LDQSNKZREVCATK-IRXDYDNUSA-N 1 3 361.486 2.883 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](CN)c3ccc(F)cc3)C2)CC1 ZINC000479191522 516099110 /nfs/dbraw/zinc/09/91/10/516099110.db2.gz TTYHFQBKVXXFHQ-YLJYHZDGSA-N 1 3 361.505 2.839 20 0 FFADHO NC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000479196122 516103275 /nfs/dbraw/zinc/10/32/75/516103275.db2.gz RRVZEZWOYIKPDK-NRFANRHFSA-N 1 3 369.484 2.896 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474646853 516137440 /nfs/dbraw/zinc/13/74/40/516137440.db2.gz XQNOEZFQQAVSRN-RLHVNXBHSA-N 1 3 370.541 2.823 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465425925 516149317 /nfs/dbraw/zinc/14/93/17/516149317.db2.gz CGKUPWZDSFTDDW-LEWJYISDSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465425925 516149325 /nfs/dbraw/zinc/14/93/25/516149325.db2.gz CGKUPWZDSFTDDW-LEWJYISDSA-N 1 3 372.557 2.723 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501554906 516152236 /nfs/dbraw/zinc/15/22/36/516152236.db2.gz UJDUOAMUGRTHDR-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501554906 516152243 /nfs/dbraw/zinc/15/22/43/516152243.db2.gz UJDUOAMUGRTHDR-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479352706 516160900 /nfs/dbraw/zinc/16/09/00/516160900.db2.gz XZDHEJUYBLSGDX-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479352706 516160911 /nfs/dbraw/zinc/16/09/11/516160911.db2.gz XZDHEJUYBLSGDX-ULQDDVLXSA-N 1 3 350.507 2.740 20 0 FFADHO Cc1nc2ccccn2c1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512186636 516188830 /nfs/dbraw/zinc/18/88/30/516188830.db2.gz NICQOYUVWTZTQS-IRXDYDNUSA-N 1 3 356.514 2.964 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000465591023 516204965 /nfs/dbraw/zinc/20/49/65/516204965.db2.gz DVHIBLIPJAVALH-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc2c(c1)CNC2 ZINC000470353664 516215642 /nfs/dbraw/zinc/21/56/42/516215642.db2.gz NDGKQIKFLYRBBK-UHFFFAOYSA-N 1 3 355.507 2.993 20 0 FFADHO c1nnc(C2CC2)n1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507513686 516227992 /nfs/dbraw/zinc/22/79/92/516227992.db2.gz AJDBLRHSRIXIJC-XUVXKRRUSA-N 1 3 351.498 2.656 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507513686 516227999 /nfs/dbraw/zinc/22/79/99/516227999.db2.gz AJDBLRHSRIXIJC-XUVXKRRUSA-N 1 3 351.498 2.656 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507513686 516228006 /nfs/dbraw/zinc/22/80/06/516228006.db2.gz AJDBLRHSRIXIJC-XUVXKRRUSA-N 1 3 351.498 2.656 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000488495506 516240592 /nfs/dbraw/zinc/24/05/92/516240592.db2.gz PJBCGZQYGBMVJY-VQIMIIECSA-N 1 3 364.509 2.848 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000457936206 516241560 /nfs/dbraw/zinc/24/15/60/516241560.db2.gz SHZQJXSIOQPSDI-IHPCNDPISA-N 1 3 358.530 2.946 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000457936206 516241567 /nfs/dbraw/zinc/24/15/67/516241567.db2.gz SHZQJXSIOQPSDI-IHPCNDPISA-N 1 3 358.530 2.946 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457945536 516245581 /nfs/dbraw/zinc/24/55/81/516245581.db2.gz UUEPOXGKYNVLPA-IAGOWNOFSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457945536 516245592 /nfs/dbraw/zinc/24/55/92/516245592.db2.gz UUEPOXGKYNVLPA-IAGOWNOFSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccnc3)CC2)C[C@H](C)O1 ZINC000483961171 516261021 /nfs/dbraw/zinc/26/10/21/516261021.db2.gz OKZATDKUUPKZEX-ROUUACIJSA-N 1 3 374.529 2.622 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccco1 ZINC000496649545 516274124 /nfs/dbraw/zinc/27/41/24/516274124.db2.gz IWOXJEDBKWZPAV-ULQDDVLXSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccco1 ZINC000496649545 516274127 /nfs/dbraw/zinc/27/41/27/516274127.db2.gz IWOXJEDBKWZPAV-ULQDDVLXSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000484076961 516291754 /nfs/dbraw/zinc/29/17/54/516291754.db2.gz MDSFRQDOBFYUSV-HNAYVOBHSA-N 1 3 369.912 2.816 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000484076961 516291757 /nfs/dbraw/zinc/29/17/57/516291757.db2.gz MDSFRQDOBFYUSV-HNAYVOBHSA-N 1 3 369.912 2.816 20 0 FFADHO C[C@@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000484076959 516292158 /nfs/dbraw/zinc/29/21/58/516292158.db2.gz MDSFRQDOBFYUSV-BEFAXECRSA-N 1 3 369.912 2.816 20 0 FFADHO C[C@@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000484076959 516292163 /nfs/dbraw/zinc/29/21/63/516292163.db2.gz MDSFRQDOBFYUSV-BEFAXECRSA-N 1 3 369.912 2.816 20 0 FFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512650423 516318553 /nfs/dbraw/zinc/31/85/53/516318553.db2.gz ZXMSONFAVSRKAZ-XIYVOTBMSA-N 1 3 355.526 2.791 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000535395350 516337674 /nfs/dbraw/zinc/33/76/74/516337674.db2.gz QMEZHCQJQRQACR-SLFFLAALSA-N 1 3 356.514 2.702 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000522878259 516338556 /nfs/dbraw/zinc/33/85/56/516338556.db2.gz DTFVMDFOBSUJFK-MOPGFXCFSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000522878259 516338562 /nfs/dbraw/zinc/33/85/62/516338562.db2.gz DTFVMDFOBSUJFK-MOPGFXCFSA-N 1 3 361.505 2.884 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000528314537 516340892 /nfs/dbraw/zinc/34/08/92/516340892.db2.gz IHVDSEMAKPBTQW-NHCUHLMSSA-N 1 3 373.516 2.994 20 0 FFADHO C[C@H](NC(=O)[C@H](CN)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000517563106 516365129 /nfs/dbraw/zinc/36/51/29/516365129.db2.gz HZUISLYXORTODP-NBHGPNQESA-N 1 3 369.484 2.895 20 0 FFADHO C[C@H](NC(=O)[C@H](CN)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517563106 516365131 /nfs/dbraw/zinc/36/51/31/516365131.db2.gz HZUISLYXORTODP-NBHGPNQESA-N 1 3 369.484 2.895 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000557663198 516367813 /nfs/dbraw/zinc/36/78/13/516367813.db2.gz XPPHVRKTXLVAEB-UHFFFAOYSA-N 1 3 366.509 2.832 20 0 FFADHO CN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1c1ccccc1 ZINC000557663848 516368946 /nfs/dbraw/zinc/36/89/46/516368946.db2.gz OINBQIFNNSNUKR-SFTDATJTSA-N 1 3 351.494 2.966 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cccc(F)c3)CC2)CC1 ZINC000561082976 516369620 /nfs/dbraw/zinc/36/96/20/516369620.db2.gz PBGPNPSFJMTAEN-UHFFFAOYSA-N 1 3 361.505 2.681 20 0 FFADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000512849990 516386579 /nfs/dbraw/zinc/38/65/79/516386579.db2.gz QXGYJKGNPDMECD-ZIAGYGMSSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000512849990 516386588 /nfs/dbraw/zinc/38/65/88/516386588.db2.gz QXGYJKGNPDMECD-ZIAGYGMSSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000512849990 516386594 /nfs/dbraw/zinc/38/65/94/516386594.db2.gz QXGYJKGNPDMECD-ZIAGYGMSSA-N 1 3 353.894 2.997 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000523189020 516405325 /nfs/dbraw/zinc/40/53/25/516405325.db2.gz NQEIDKIKZFPURW-MRXNPFEDSA-N 1 3 366.575 2.990 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C[C@H](C)O1 ZINC000517753591 516438136 /nfs/dbraw/zinc/43/81/36/516438136.db2.gz MHBDLZDEBCJOCY-HDICACEKSA-N 1 3 373.541 2.539 20 0 FFADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000540144291 516454597 /nfs/dbraw/zinc/45/45/97/516454597.db2.gz MTGVIPBSMJONRK-DCGLDWPTSA-N 1 3 353.869 2.904 20 0 FFADHO OCCC1CCN(Cc2ccccc2C[NH+]2CCC(CCO)CC2)CC1 ZINC000535718899 516465695 /nfs/dbraw/zinc/46/56/95/516465695.db2.gz HEJXZYPGEKJCLR-UHFFFAOYSA-N 1 3 360.542 2.875 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000523533304 516499451 /nfs/dbraw/zinc/49/94/51/516499451.db2.gz WDQQGHRNLWSROM-RXVVDRJESA-N 1 3 372.557 2.853 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000523533304 516499460 /nfs/dbraw/zinc/49/94/60/516499460.db2.gz WDQQGHRNLWSROM-RXVVDRJESA-N 1 3 372.557 2.853 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000554737503 516611816 /nfs/dbraw/zinc/61/18/16/516611816.db2.gz UENOARQQDOZHFW-PMACEKPBSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000554737503 516611830 /nfs/dbraw/zinc/61/18/30/516611830.db2.gz UENOARQQDOZHFW-PMACEKPBSA-N 1 3 372.557 2.928 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000528709661 516634244 /nfs/dbraw/zinc/63/42/44/516634244.db2.gz FGAAHNROCBYDKJ-QUCCMNQESA-N 1 3 366.465 2.736 20 0 FFADHO CC1CCC(N2CCN(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC2)CC1 ZINC000528712253 516638645 /nfs/dbraw/zinc/63/86/45/516638645.db2.gz CLWDXIYWNPKXAV-UHFFFAOYSA-N 1 3 372.513 2.897 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1 ZINC000547949865 516651419 /nfs/dbraw/zinc/65/14/19/516651419.db2.gz JNOWJXHTJXTMJL-MAUKXSAKSA-N 1 3 365.468 2.948 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1 ZINC000547949865 516651431 /nfs/dbraw/zinc/65/14/31/516651431.db2.gz JNOWJXHTJXTMJL-MAUKXSAKSA-N 1 3 365.468 2.948 20 0 FFADHO C[C@H]([NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000554862138 516669016 /nfs/dbraw/zinc/66/90/16/516669016.db2.gz CTOZIKIMHKXBAP-MDKPJZGXSA-N 1 3 362.514 2.579 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000558382948 516712274 /nfs/dbraw/zinc/71/22/74/516712274.db2.gz VSHWQLWCYZAEOR-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO C[NH+](C)CCOc1cc(CN[C@H]2CCC(=O)Nc3ccccc32)ccn1 ZINC000544381267 516733483 /nfs/dbraw/zinc/73/34/83/516733483.db2.gz XTDBKQNIBGZDRS-KRWDZBQOSA-N 1 3 354.454 2.585 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000524491493 516737391 /nfs/dbraw/zinc/73/73/91/516737391.db2.gz ABUJSABMITTZAY-INIZCTEOSA-N 1 3 364.559 2.838 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000551566312 516763385 /nfs/dbraw/zinc/76/33/85/516763385.db2.gz JQMHMEJMPHRBDO-SRHPJPHMSA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000551566312 516763393 /nfs/dbraw/zinc/76/33/93/516763393.db2.gz JQMHMEJMPHRBDO-SRHPJPHMSA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000551566312 516763400 /nfs/dbraw/zinc/76/34/00/516763400.db2.gz JQMHMEJMPHRBDO-SRHPJPHMSA-N 1 3 360.542 2.645 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCN(C)c1ccncc1 ZINC000540927050 516776539 /nfs/dbraw/zinc/77/65/39/516776539.db2.gz ZHSBKYUCWGVKCW-NQIIRXRSSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCN(C)c1ccncc1 ZINC000540927050 516776546 /nfs/dbraw/zinc/77/65/46/516776546.db2.gz ZHSBKYUCWGVKCW-NQIIRXRSSA-N 1 3 366.509 2.935 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555106853 516784392 /nfs/dbraw/zinc/78/43/92/516784392.db2.gz DWNTVCFMQYQAQD-QGZVFWFLSA-N 1 3 354.926 2.974 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000536537337 516809044 /nfs/dbraw/zinc/80/90/44/516809044.db2.gz JWZLWMZRCJMBJM-MOXQZVSFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000536537337 516809052 /nfs/dbraw/zinc/80/90/52/516809052.db2.gz JWZLWMZRCJMBJM-MOXQZVSFSA-N 1 3 360.542 2.872 20 0 FFADHO CC(C)(C)[C@H](CO)NCc1cc(C[NH2+][C@@H](CO)C(C)(C)C)ccc1F ZINC000518902558 516815167 /nfs/dbraw/zinc/81/51/67/516815167.db2.gz XFSIEAUPPYRPMO-ROUUACIJSA-N 1 3 354.510 2.819 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CCC[N@@H+](C(C)C)C3)c2cc1C ZINC000518963998 516832748 /nfs/dbraw/zinc/83/27/48/516832748.db2.gz WGOTZCCYPYQLIM-MOPGFXCFSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CCC[N@H+](C(C)C)C3)c2cc1C ZINC000518963998 516832755 /nfs/dbraw/zinc/83/27/55/516832755.db2.gz WGOTZCCYPYQLIM-MOPGFXCFSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@H]3CCCN(C(C)C)C3)c2cc1C ZINC000518963998 516832761 /nfs/dbraw/zinc/83/27/61/516832761.db2.gz WGOTZCCYPYQLIM-MOPGFXCFSA-N 1 3 358.530 2.724 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514062984 516845761 /nfs/dbraw/zinc/84/57/61/516845761.db2.gz OWFXYNYXXQBLIE-NJYVYQBISA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000514062984 516845770 /nfs/dbraw/zinc/84/57/70/516845770.db2.gz OWFXYNYXXQBLIE-NJYVYQBISA-N 1 3 370.541 2.967 20 0 FFADHO C[NH+](C)CC1(CNC(=O)NCCCN2CCc3ccccc3C2)CCCC1 ZINC000544701650 516883188 /nfs/dbraw/zinc/88/31/88/516883188.db2.gz PSAQNYWPMLJFQH-UHFFFAOYSA-N 1 3 372.557 2.856 20 0 FFADHO Cc1ccccc1C[C@H]1CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000514184236 516892217 /nfs/dbraw/zinc/89/22/17/516892217.db2.gz RVAWYVFTHVFXBI-OAQYLSRUSA-N 1 3 355.526 2.745 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000562253808 516987379 /nfs/dbraw/zinc/98/73/79/516987379.db2.gz KAFCCJBZTGWWNX-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000562253808 516987390 /nfs/dbraw/zinc/98/73/90/516987390.db2.gz KAFCCJBZTGWWNX-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCCN3C3CC3)C2)s1 ZINC000552004047 517020732 /nfs/dbraw/zinc/02/07/32/517020732.db2.gz OAAWHXYBGOBUDW-LPHOPBHVSA-N 1 3 361.555 2.964 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCCN3C3CC3)C2)s1 ZINC000552004047 517020742 /nfs/dbraw/zinc/02/07/42/517020742.db2.gz OAAWHXYBGOBUDW-LPHOPBHVSA-N 1 3 361.555 2.964 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCCC[C@H]1C ZINC000555624737 517024641 /nfs/dbraw/zinc/02/46/41/517024641.db2.gz SMGHOAJYYOZWMF-AOIWGVFYSA-N 1 3 350.551 2.623 20 0 FFADHO c1ccc(CN2CC[C@H]([NH2+]CCCCN3CCOCC3)CC23CC3)cc1 ZINC000519597333 517068521 /nfs/dbraw/zinc/06/85/21/517068521.db2.gz BNUGIAVIAIPWJS-NRFANRHFSA-N 1 3 357.542 2.886 20 0 FFADHO CC1CC[NH+](CC(=O)N2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC000552150205 517110035 /nfs/dbraw/zinc/11/00/35/517110035.db2.gz LNILJRVJLDBFEM-UHFFFAOYSA-N 1 3 352.482 2.615 20 0 FFADHO COc1ccccc1CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000519707520 517139205 /nfs/dbraw/zinc/13/92/05/517139205.db2.gz COPBUIRKKBRZOR-VXKWHMMOSA-N 1 3 368.521 2.881 20 0 FFADHO COc1ccccc1CC1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000519707520 517139213 /nfs/dbraw/zinc/13/92/13/517139213.db2.gz COPBUIRKKBRZOR-VXKWHMMOSA-N 1 3 368.521 2.881 20 0 FFADHO C[C@H](CC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)N1CCCCC1 ZINC000545302922 517161134 /nfs/dbraw/zinc/16/11/34/517161134.db2.gz MGIJOQBYZWJGKB-DLBZAZTESA-N 1 3 357.498 2.915 20 0 FFADHO CC[NH+]1CCN(c2cccc(NC(=O)NCCN3CC=C(C)CC3)c2)CC1 ZINC000545329662 517178811 /nfs/dbraw/zinc/17/88/11/517178811.db2.gz HMIMOQPFKJPCQJ-UHFFFAOYSA-N 1 3 371.529 2.602 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C3CC(N4CCCCC4)C3)c2cc1C ZINC000515166368 517236185 /nfs/dbraw/zinc/23/61/85/517236185.db2.gz MOOJGOUNRQABLU-ACBHZAAOSA-N 1 3 356.514 2.621 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552411651 517247393 /nfs/dbraw/zinc/24/73/93/517247393.db2.gz MFIVLBRPKNNDEQ-QGZVFWFLSA-N 1 3 353.457 2.554 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000515223114 517259814 /nfs/dbraw/zinc/25/98/14/517259814.db2.gz GDHFPYQXUVGYIH-UXHICEINSA-N 1 3 358.530 2.983 20 0 FFADHO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1N1CCN(C)CC1 ZINC000537622063 517264866 /nfs/dbraw/zinc/26/48/66/517264866.db2.gz NNNYBAQNMJRTAW-WBVHZDCISA-N 1 3 359.543 2.596 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1N1CCN(C)CC1 ZINC000537622063 517264874 /nfs/dbraw/zinc/26/48/74/517264874.db2.gz NNNYBAQNMJRTAW-WBVHZDCISA-N 1 3 359.543 2.596 20 0 FFADHO COC[C@]1([NH2+]C2CCN(c3ccncc3)CC2)COc2ccccc2C1 ZINC000529669899 517272867 /nfs/dbraw/zinc/27/28/67/517272867.db2.gz WMUMKQOQPPNHOH-NRFANRHFSA-N 1 3 353.466 2.660 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000556112404 517272925 /nfs/dbraw/zinc/27/29/25/517272925.db2.gz DTXVTARBKPNUPP-UEXGIBASSA-N 1 3 357.498 2.753 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000520113391 517277505 /nfs/dbraw/zinc/27/75/05/517277505.db2.gz CWSTUUKNWWSISH-OAHLLOKOSA-N 1 3 370.488 2.768 20 0 FFADHO c1ccc(CN2CC[C@@H]([NH+]3CCC(CCN4CCOCC4)CC3)C2)cc1 ZINC000552560165 517306156 /nfs/dbraw/zinc/30/61/56/517306156.db2.gz KXNUKMWLDQRCJG-JOCHJYFZSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@H+]2CC[C@@H](N3CCC(CCN4CCOCC4)CC3)C2)cc1 ZINC000552560165 517306160 /nfs/dbraw/zinc/30/61/60/517306160.db2.gz KXNUKMWLDQRCJG-JOCHJYFZSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCC(CCN4CCOCC4)CC3)C2)cc1 ZINC000552560165 517306169 /nfs/dbraw/zinc/30/61/69/517306169.db2.gz KXNUKMWLDQRCJG-JOCHJYFZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000537778473 517339942 /nfs/dbraw/zinc/33/99/42/517339942.db2.gz MJKDHPJATORIGE-IEBWSBKVSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000537778473 517339951 /nfs/dbraw/zinc/33/99/51/517339951.db2.gz MJKDHPJATORIGE-IEBWSBKVSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2ccccc2s1 ZINC000526109233 517347253 /nfs/dbraw/zinc/34/72/53/517347253.db2.gz CTHYISSQYHJNOE-KRWDZBQOSA-N 1 3 361.555 2.942 20 0 FFADHO Cn1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(-c2ccccc2)n1 ZINC000562751447 517367873 /nfs/dbraw/zinc/36/78/73/517367873.db2.gz ZUCFDRKVOOHIFV-PMACEKPBSA-N 1 3 354.498 2.805 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000562803295 517416936 /nfs/dbraw/zinc/41/69/36/517416936.db2.gz SLCDSPBHZSESPL-SOAMZJECSA-N 1 3 358.530 2.886 20 0 FFADHO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)n(C2CCN(C)CC2)n1 ZINC000515625123 517426397 /nfs/dbraw/zinc/42/63/97/517426397.db2.gz OAUIAQYSXNQDKB-AEFFLSMTSA-N 1 3 374.533 2.549 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545907424 517427932 /nfs/dbraw/zinc/42/79/32/517427932.db2.gz ISJLATLEBCXOND-PXNSSMCTSA-N 1 3 352.482 2.545 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000520545183 517428533 /nfs/dbraw/zinc/42/85/33/517428533.db2.gz RQKSTVBIQFDSGF-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000527125896 517515346 /nfs/dbraw/zinc/51/53/46/517515346.db2.gz SRGULMUORARYCP-UHFFFAOYSA-N 1 3 371.485 2.831 20 0 FFADHO CN1CCO[C@@H]([C@@H](NC2CCC(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000562960653 517534759 /nfs/dbraw/zinc/53/47/59/517534759.db2.gz UKSWZRLHNUIEFB-CTVCJKGISA-N 1 3 351.922 2.819 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520881749 517541872 /nfs/dbraw/zinc/54/18/72/517541872.db2.gz CKYVYXXIJZCJRO-HBMCJLEFSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000520881749 517541878 /nfs/dbraw/zinc/54/18/78/517541878.db2.gz CKYVYXXIJZCJRO-HBMCJLEFSA-N 1 3 370.541 2.967 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cnc(C)nc3)CC2)c1 ZINC000520954178 517559500 /nfs/dbraw/zinc/55/95/00/517559500.db2.gz FOIPQAMDNRJNKB-UHFFFAOYSA-N 1 3 353.514 2.785 20 0 FFADHO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(OC)c1 ZINC000562989637 517562890 /nfs/dbraw/zinc/56/28/90/517562890.db2.gz OUKCUYVBKIOGKT-UXDJHVJMSA-N 1 3 362.514 2.930 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1=CCN(C)CC1 ZINC000563013987 517584076 /nfs/dbraw/zinc/58/40/76/517584076.db2.gz OECSOHDCWSHNGN-SWLSCSKDSA-N 1 3 359.297 2.973 20 0 FFADHO Cc1[nH+]c2ccccc2c(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1C ZINC000516186758 517608775 /nfs/dbraw/zinc/60/87/75/517608775.db2.gz YEUYIWMZNYOQTK-AYHJJNSGSA-N 1 3 366.509 2.769 20 0 FFADHO CCN(C(=O)NCC1([NH3+])CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000516263008 517642162 /nfs/dbraw/zinc/64/21/62/517642162.db2.gz MQGVXOSKUIQJOF-IBGZPJMESA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cn[nH]c1 ZINC000560355720 517727467 /nfs/dbraw/zinc/72/74/67/517727467.db2.gz OVQGOUARNITBHB-FXAWDEMLSA-N 1 3 354.498 2.989 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563209652 517739321 /nfs/dbraw/zinc/73/93/21/517739321.db2.gz WFUCGIBBUPYEEA-RBBKRZOGSA-N 1 3 363.505 2.983 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563209652 517739327 /nfs/dbraw/zinc/73/93/27/517739327.db2.gz WFUCGIBBUPYEEA-RBBKRZOGSA-N 1 3 363.505 2.983 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N2CCCN(C)CC2)c2ccccc2)CC1 ZINC000516559121 517742074 /nfs/dbraw/zinc/74/20/74/517742074.db2.gz UMUICZSPZNSBHV-FQEVSTJZSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000521695665 517830560 /nfs/dbraw/zinc/83/05/60/517830560.db2.gz BWKJUYZSRQZKNZ-OTWHNJEPSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000521695665 517830572 /nfs/dbraw/zinc/83/05/72/517830572.db2.gz BWKJUYZSRQZKNZ-OTWHNJEPSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000521697344 517831101 /nfs/dbraw/zinc/83/11/01/517831101.db2.gz GVLQRMQGEBTYDQ-MOPGFXCFSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000521697344 517831107 /nfs/dbraw/zinc/83/11/07/517831107.db2.gz GVLQRMQGEBTYDQ-MOPGFXCFSA-N 1 3 350.551 2.768 20 0 FFADHO Cn1nccc1-c1ccccc1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000560483279 517837817 /nfs/dbraw/zinc/83/78/17/517837817.db2.gz BDMHYDTUHNJWNZ-NHCUHLMSSA-N 1 3 354.498 2.555 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000553717195 517867091 /nfs/dbraw/zinc/86/70/91/517867091.db2.gz LEZPHJVORYBAKV-UHFFFAOYSA-N 1 3 372.557 2.756 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000560551813 517891486 /nfs/dbraw/zinc/89/14/86/517891486.db2.gz PCQGWHGKLRVTBQ-AEFFLSMTSA-N 1 3 365.468 2.602 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000560551813 517891496 /nfs/dbraw/zinc/89/14/96/517891496.db2.gz PCQGWHGKLRVTBQ-AEFFLSMTSA-N 1 3 365.468 2.602 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000534444417 517897558 /nfs/dbraw/zinc/89/75/58/517897558.db2.gz VPXSWXYPXMJHLQ-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000560574538 517902787 /nfs/dbraw/zinc/90/27/87/517902787.db2.gz NUPLADBAGLHCIW-OLZOCXBDSA-N 1 3 365.547 2.528 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553862838 517937627 /nfs/dbraw/zinc/93/76/27/517937627.db2.gz KMPBCFLIKVTZDF-QUCCMNQESA-N 1 3 370.541 2.626 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@H+](C2CCC2)C1 ZINC000553862838 517937633 /nfs/dbraw/zinc/93/76/33/517937633.db2.gz KMPBCFLIKVTZDF-QUCCMNQESA-N 1 3 370.541 2.626 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNC[C@H](O)C(F)(F)F)cc2)C[C@H]1C ZINC000521994532 517938101 /nfs/dbraw/zinc/93/81/01/517938101.db2.gz CBNNOIYOXPBSNN-DAYGRLMNSA-N 1 3 374.447 2.709 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNC[C@H](O)C(F)(F)F)cc2)C[C@H]1C ZINC000521994532 517938108 /nfs/dbraw/zinc/93/81/08/517938108.db2.gz CBNNOIYOXPBSNN-DAYGRLMNSA-N 1 3 374.447 2.709 20 0 FFADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000560679470 517967157 /nfs/dbraw/zinc/96/71/57/517967157.db2.gz FLBIVNOIQYTOHL-OAQYLSRUSA-N 1 3 373.541 2.855 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000522078340 517978167 /nfs/dbraw/zinc/97/81/67/517978167.db2.gz XLDNRNQXMXKTRS-HXUWFJFHSA-N 1 3 358.530 2.905 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000522078340 517978172 /nfs/dbraw/zinc/97/81/72/517978172.db2.gz XLDNRNQXMXKTRS-HXUWFJFHSA-N 1 3 358.530 2.905 20 0 FFADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530841104 518004980 /nfs/dbraw/zinc/00/49/80/518004980.db2.gz WOMNRNCUQUILAY-RHSMWYFYSA-N 1 3 352.910 2.678 20 0 FFADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530841104 518004991 /nfs/dbraw/zinc/00/49/91/518004991.db2.gz WOMNRNCUQUILAY-RHSMWYFYSA-N 1 3 352.910 2.678 20 0 FFADHO COc1ccc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000557450368 518011993 /nfs/dbraw/zinc/01/19/93/518011993.db2.gz NDYVLUZZNGPOOJ-NRFANRHFSA-N 1 3 359.514 2.725 20 0 FFADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1CCC(C)CC1 ZINC000553997349 518014629 /nfs/dbraw/zinc/01/46/29/518014629.db2.gz WWEXXNZBJNHRRI-GOSISDBHSA-N 1 3 364.534 2.863 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000522307846 518074195 /nfs/dbraw/zinc/07/41/95/518074195.db2.gz KKYRVIKOQMEOSS-UHFFFAOYSA-N 1 3 360.546 2.943 20 0 FFADHO CN(C(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000517239645 518085487 /nfs/dbraw/zinc/08/54/87/518085487.db2.gz VKURDJNSEDLIDH-PMACEKPBSA-N 1 3 355.457 2.601 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000543437436 518090926 /nfs/dbraw/zinc/09/09/26/518090926.db2.gz JBKWYELZNLMOMS-FGTMMUONSA-N 1 3 367.578 2.891 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000522623776 518136833 /nfs/dbraw/zinc/13/68/33/518136833.db2.gz JDSDOTYXRXZZLN-KRWDZBQOSA-N 1 3 370.582 2.541 20 0 FFADHO C[N@H+](CCCNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000517417328 518144038 /nfs/dbraw/zinc/14/40/38/518144038.db2.gz NFAQKLMELLBDQL-IBGZPJMESA-N 1 3 350.551 2.911 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000517417328 518144044 /nfs/dbraw/zinc/14/40/44/518144044.db2.gz NFAQKLMELLBDQL-IBGZPJMESA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCCC1 ZINC000522830375 518167727 /nfs/dbraw/zinc/16/77/27/518167727.db2.gz KPWKFEDCNUPSGJ-AZUAARDMSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000575372927 518206247 /nfs/dbraw/zinc/20/62/47/518206247.db2.gz HGVJJJLESYLCTK-CBVHJVASSA-N 1 3 351.922 2.819 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000563890932 518216605 /nfs/dbraw/zinc/21/66/05/518216605.db2.gz UVKCFBIBEGTPOZ-SFHVURJKSA-N 1 3 365.481 2.660 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000563890932 518216610 /nfs/dbraw/zinc/21/66/10/518216610.db2.gz UVKCFBIBEGTPOZ-SFHVURJKSA-N 1 3 365.481 2.660 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000572503450 518223031 /nfs/dbraw/zinc/22/30/31/518223031.db2.gz WBYSIJHIRQGYFI-VXKWHMMOSA-N 1 3 358.574 2.829 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578486361 518231166 /nfs/dbraw/zinc/23/11/66/518231166.db2.gz CZCMVNBQWGXGFJ-QGZVFWFLSA-N 1 3 354.926 2.974 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578486361 518231171 /nfs/dbraw/zinc/23/11/71/518231171.db2.gz CZCMVNBQWGXGFJ-QGZVFWFLSA-N 1 3 354.926 2.974 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[C@H]1c1ccc(F)cc1 ZINC000581419039 518275666 /nfs/dbraw/zinc/27/56/66/518275666.db2.gz YBSSJGVJDZSAGS-SLFFLAALSA-N 1 3 374.504 2.669 20 0 FFADHO NC[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC12CCOCC2 ZINC000584351338 518297697 /nfs/dbraw/zinc/29/76/97/518297697.db2.gz CNVWXHCTEMEKDI-GOSISDBHSA-N 1 3 367.493 2.856 20 0 FFADHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC12CCOCC2 ZINC000584351338 518297703 /nfs/dbraw/zinc/29/77/03/518297703.db2.gz CNVWXHCTEMEKDI-GOSISDBHSA-N 1 3 367.493 2.856 20 0 FFADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)CC12CCOCC2 ZINC000584351338 518297708 /nfs/dbraw/zinc/29/77/08/518297708.db2.gz CNVWXHCTEMEKDI-GOSISDBHSA-N 1 3 367.493 2.856 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(OC)ccc3F)CC2)CC1 ZINC000572733513 518338137 /nfs/dbraw/zinc/33/81/37/518338137.db2.gz CPFVJFSLMNCDFU-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000581560702 518346709 /nfs/dbraw/zinc/34/67/09/518346709.db2.gz NLMJVHGTBHEXQI-UHFFFAOYSA-N 1 3 374.573 2.924 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000569912532 518351723 /nfs/dbraw/zinc/35/17/23/518351723.db2.gz GMYCIEWLOFYCJK-QUCCMNQESA-N 1 3 358.530 2.909 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000564208140 518352119 /nfs/dbraw/zinc/35/21/19/518352119.db2.gz XJHQOCRLBKBGDL-RBUKOAKNSA-N 1 3 367.497 2.719 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000567109946 518357137 /nfs/dbraw/zinc/35/71/37/518357137.db2.gz JFTVKHZWELPWCN-NHCUHLMSSA-N 1 3 371.525 2.641 20 0 FFADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3conc3C(C)(C)N)c2)CC1 ZINC000567123589 518363391 /nfs/dbraw/zinc/36/33/91/518363391.db2.gz NDMMXANQACYBMJ-UHFFFAOYSA-N 1 3 371.485 2.651 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000569957111 518375342 /nfs/dbraw/zinc/37/53/42/518375342.db2.gz HYLOMKVBWJSZGI-DOMZBBRYSA-N 1 3 353.894 2.963 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c2ccccc2)CC1 ZINC000567147831 518376151 /nfs/dbraw/zinc/37/61/51/518376151.db2.gz FZLYAFWBWNSYPW-YSIASYRMSA-N 1 3 358.530 2.757 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000581657887 518393758 /nfs/dbraw/zinc/39/37/58/518393758.db2.gz VZSKHUUSFRSSIN-BAGYTPMASA-N 1 3 358.574 2.685 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)N(C)C)cc1 ZINC000578848703 518401005 /nfs/dbraw/zinc/40/10/05/518401005.db2.gz WYLHYOYOYZETFS-CTNGQTDRSA-N 1 3 358.530 2.637 20 0 FFADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CN(C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000567314730 518459059 /nfs/dbraw/zinc/45/90/59/518459059.db2.gz RRWNBFJXDSYRCE-LSTHTHJFSA-N 1 3 367.484 2.533 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]1 ZINC000578980244 518465598 /nfs/dbraw/zinc/46/55/98/518465598.db2.gz FABNYMCXWLPWSA-ANQUJSFKSA-N 1 3 350.532 2.571 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N2CCCC2)cc1 ZINC000584829420 518498108 /nfs/dbraw/zinc/49/81/08/518498108.db2.gz VOKDLKXQLDXRDK-IBGZPJMESA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000573082316 518499729 /nfs/dbraw/zinc/49/97/29/518499729.db2.gz MMBBLCJUNQSLPJ-QRXQEZHUSA-N 1 3 352.478 2.824 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000581933228 518508864 /nfs/dbraw/zinc/50/88/64/518508864.db2.gz AQEADBSPBKWYRX-FXAWDEMLSA-N 1 3 372.557 2.758 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccccc1O2 ZINC000584875329 518518877 /nfs/dbraw/zinc/51/88/77/518518877.db2.gz UUYBXYTVRSZWRC-UXHICEINSA-N 1 3 374.525 2.742 20 0 FFADHO Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000581997985 518539428 /nfs/dbraw/zinc/53/94/28/518539428.db2.gz NCJGBWHEORIWPR-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000581997985 518539432 /nfs/dbraw/zinc/53/94/32/518539432.db2.gz NCJGBWHEORIWPR-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000581997985 518539440 /nfs/dbraw/zinc/53/94/40/518539440.db2.gz NCJGBWHEORIWPR-FCHUYYIVSA-N 1 3 368.521 2.889 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c2cccs2)CC1 ZINC000564644033 518541201 /nfs/dbraw/zinc/54/12/01/518541201.db2.gz LEQIZTYOXIZIRM-GVDBMIGSSA-N 1 3 364.559 2.818 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000573204070 518554371 /nfs/dbraw/zinc/55/43/71/518554371.db2.gz GFYDGEVPPUOVKC-YZLZLFLDSA-N 1 3 358.530 2.621 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000573204070 518554377 /nfs/dbraw/zinc/55/43/77/518554377.db2.gz GFYDGEVPPUOVKC-YZLZLFLDSA-N 1 3 358.530 2.621 20 0 FFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000573245272 518574407 /nfs/dbraw/zinc/57/44/07/518574407.db2.gz UTCSDMPMBWJZMR-IAGOWNOFSA-N 1 3 371.447 2.984 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc2[nH]ccc2c1 ZINC000582072812 518577259 /nfs/dbraw/zinc/57/72/59/518577259.db2.gz JZTPMXZULOBZGL-NRFANRHFSA-N 1 3 364.493 2.547 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)C(F)(F)C3)CC2)CC1 ZINC000573264877 518581915 /nfs/dbraw/zinc/58/19/15/518581915.db2.gz LHLSVDUPZSJSOM-OAHLLOKOSA-N 1 3 357.489 2.686 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000582097304 518584989 /nfs/dbraw/zinc/58/49/89/518584989.db2.gz IYACMMOYSBYJMJ-OAHLLOKOSA-N 1 3 369.351 2.912 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000564848063 518650179 /nfs/dbraw/zinc/65/01/79/518650179.db2.gz CKBNMVWIRYYJSN-OAGGEKHMSA-N 1 3 371.319 2.651 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000570548954 518662723 /nfs/dbraw/zinc/66/27/23/518662723.db2.gz HDZGBMXTWIDCMS-SFHVURJKSA-N 1 3 358.530 2.728 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2)c(OC)c1 ZINC000573444844 518668308 /nfs/dbraw/zinc/66/83/08/518668308.db2.gz HESJNUBMGBNIGS-AWEZNQCLSA-N 1 3 357.454 2.669 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000570633033 518704199 /nfs/dbraw/zinc/70/41/99/518704199.db2.gz WHDULBODGLGTBS-RBUKOAKNSA-N 1 3 371.525 2.508 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000567779428 518707541 /nfs/dbraw/zinc/70/75/41/518707541.db2.gz UPTMNCZUZMOPCU-UTKZUKDTSA-N 1 3 366.509 2.709 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC2CC[NH+](CC)CC2)N(C)C)cc1 ZINC000579498052 518710535 /nfs/dbraw/zinc/71/05/35/518710535.db2.gz RBTINCOJLYKMKC-HXUWFJFHSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000582409950 518740772 /nfs/dbraw/zinc/74/07/72/518740772.db2.gz KVHYLBUSFOTWDU-YZGWKJHDSA-N 1 3 372.557 2.974 20 0 FFADHO CN(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000570708838 518741761 /nfs/dbraw/zinc/74/17/61/518741761.db2.gz ZIIAGLCQNUSGPT-INDMIFKZSA-N 1 3 351.922 2.689 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H](N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000579581725 518749235 /nfs/dbraw/zinc/74/92/35/518749235.db2.gz BMAHCTZVWGQBPA-BWAGFHJFSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H](N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000579581725 518749244 /nfs/dbraw/zinc/74/92/44/518749244.db2.gz BMAHCTZVWGQBPA-BWAGFHJFSA-N 1 3 365.521 2.973 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000570725244 518749540 /nfs/dbraw/zinc/74/95/40/518749540.db2.gz QKQBFIYPXAZWHT-LJQANCHMSA-N 1 3 361.530 2.854 20 0 FFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000565046199 518759544 /nfs/dbraw/zinc/75/95/44/518759544.db2.gz JCXBYODQFLHTEY-ZWKOTPCHSA-N 1 3 369.513 2.805 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000567947991 518796641 /nfs/dbraw/zinc/79/66/41/518796641.db2.gz DWDQQMZCMKSYFZ-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)Cc1ccccc1 ZINC000579688768 518802864 /nfs/dbraw/zinc/80/28/64/518802864.db2.gz HJIJEMPIKUYQPB-QGZVFWFLSA-N 1 3 370.472 2.766 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000579690192 518803756 /nfs/dbraw/zinc/80/37/56/518803756.db2.gz GXWPRBSNGFEFTA-ROUUACIJSA-N 1 3 358.530 2.647 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000570840712 518805871 /nfs/dbraw/zinc/80/58/71/518805871.db2.gz BKRJBDHOKVULQD-OXQOHEQNSA-N 1 3 352.482 2.630 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000573786509 518834720 /nfs/dbraw/zinc/83/47/20/518834720.db2.gz OISZYKUSNZLAFO-UWHLTILDSA-N 1 3 370.541 2.666 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000565243422 518859881 /nfs/dbraw/zinc/85/98/81/518859881.db2.gz MRVCMHVRFXINNN-AWEZNQCLSA-N 1 3 355.324 2.522 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000577011756 518872685 /nfs/dbraw/zinc/87/26/85/518872685.db2.gz DEQWFFRXCJHSGE-LEUOFYLZSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000577011756 518872694 /nfs/dbraw/zinc/87/26/94/518872694.db2.gz DEQWFFRXCJHSGE-LEUOFYLZSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000577011756 518872698 /nfs/dbraw/zinc/87/26/98/518872698.db2.gz DEQWFFRXCJHSGE-LEUOFYLZSA-N 1 3 372.431 2.908 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@@H]2CCCCCN2)c1 ZINC000579843856 518883849 /nfs/dbraw/zinc/88/38/49/518883849.db2.gz YNONIPJOGJGBMN-IBGZPJMESA-N 1 3 372.513 2.972 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000580070815 518993456 /nfs/dbraw/zinc/99/34/56/518993456.db2.gz AQBWRTARDAROIS-HDMKZQKVSA-N 1 3 350.507 2.503 20 0 FFADHO CC(C)(CNC(=O)NCc1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000577278366 519003329 /nfs/dbraw/zinc/00/33/29/519003329.db2.gz CWRYNQWDWXCYAW-UHFFFAOYSA-N 1 3 366.509 2.781 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000565537749 519007386 /nfs/dbraw/zinc/00/73/86/519007386.db2.gz OYWQJWUMDSVPIX-DODVFSASSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cn2ccccc2n1 ZINC000582978619 519018268 /nfs/dbraw/zinc/01/82/68/519018268.db2.gz BLSMCIOOKTWNDZ-SFHVURJKSA-N 1 3 364.497 2.592 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000583014903 519035271 /nfs/dbraw/zinc/03/52/71/519035271.db2.gz IHRWIZKNKMZOSR-LEWJYISDSA-N 1 3 373.541 2.791 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000568527721 519086012 /nfs/dbraw/zinc/08/60/12/519086012.db2.gz YGFLWPDAQCRWCE-RJGXRXQPSA-N 1 3 367.537 2.557 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000568527721 519086023 /nfs/dbraw/zinc/08/60/23/519086023.db2.gz YGFLWPDAQCRWCE-RJGXRXQPSA-N 1 3 367.537 2.557 20 0 FFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000580323805 519120230 /nfs/dbraw/zinc/12/02/30/519120230.db2.gz JPAOIGYLMSQSFG-HOTGVXAUSA-N 1 3 367.484 2.881 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)Cc2ccccc2C(F)(F)F)CCCO1 ZINC000565770340 519124185 /nfs/dbraw/zinc/12/41/85/519124185.db2.gz PNTQZCUQMVDYAU-DOTOQJQBSA-N 1 3 374.447 2.699 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)Cc2ccccc2C(F)(F)F)CCCO1 ZINC000565770340 519124186 /nfs/dbraw/zinc/12/41/86/519124186.db2.gz PNTQZCUQMVDYAU-DOTOQJQBSA-N 1 3 374.447 2.699 20 0 FFADHO N[C@@H](CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000574384424 519128898 /nfs/dbraw/zinc/12/88/98/519128898.db2.gz GCYFCKHTSAHDEW-CEWLAPEOSA-N 1 3 369.484 2.595 20 0 FFADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000590243124 519180749 /nfs/dbraw/zinc/18/07/49/519180749.db2.gz HJQZUCFYCTXGPB-QUCCMNQESA-N 1 3 359.514 2.682 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000571656696 519205894 /nfs/dbraw/zinc/20/58/94/519205894.db2.gz UXCMNBJRAPKGCQ-NMLBUPMWSA-N 1 3 358.530 2.539 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000577747604 519235964 /nfs/dbraw/zinc/23/59/64/519235964.db2.gz PBLGXBVOESUTHS-WOIUINJBSA-N 1 3 373.541 2.629 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577830161 519275919 /nfs/dbraw/zinc/27/59/19/519275919.db2.gz CMCPZNBDNTYUHT-IBGZPJMESA-N 1 3 366.465 2.565 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577830161 519275926 /nfs/dbraw/zinc/27/59/26/519275926.db2.gz CMCPZNBDNTYUHT-IBGZPJMESA-N 1 3 366.465 2.565 20 0 FFADHO Cc1ncc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1-c1ccccc1 ZINC000577838985 519281385 /nfs/dbraw/zinc/28/13/85/519281385.db2.gz GPRSZAZAJCYERY-WIYYLYMNSA-N 1 3 354.498 2.899 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C[C@@H]1C[NH3+] ZINC000577841699 519283752 /nfs/dbraw/zinc/28/37/52/519283752.db2.gz HJTXJQIERZDGHB-WBVHZDCISA-N 1 3 364.559 2.586 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106516 519302234 /nfs/dbraw/zinc/30/22/34/519302234.db2.gz SRWCNHGOONUKIK-ZFWWWQNUSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106516 519302238 /nfs/dbraw/zinc/30/22/38/519302238.db2.gz SRWCNHGOONUKIK-ZFWWWQNUSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106516 519302245 /nfs/dbraw/zinc/30/22/45/519302245.db2.gz SRWCNHGOONUKIK-ZFWWWQNUSA-N 1 3 358.404 2.519 20 0 FFADHO CO[C@@H](CN)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000566172031 519349176 /nfs/dbraw/zinc/34/91/76/519349176.db2.gz WAFPBPRCZHFLAR-NRFANRHFSA-N 1 3 367.493 2.539 20 0 FFADHO C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000583629687 519349718 /nfs/dbraw/zinc/34/97/18/519349718.db2.gz WQAPKLVBZQSWMP-UWJYYQICSA-N 1 3 366.509 2.775 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566190725 519360554 /nfs/dbraw/zinc/36/05/54/519360554.db2.gz IHIDHBAIIIXPHH-MGPUTAFESA-N 1 3 370.472 2.605 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000569085570 519368682 /nfs/dbraw/zinc/36/86/82/519368682.db2.gz NNKCUXWRGKAMAP-AIANPOQGSA-N 1 3 350.532 2.510 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000578011187 519370780 /nfs/dbraw/zinc/37/07/80/519370780.db2.gz WIMBRWHVZIGRLR-ACRUOGEOSA-N 1 3 364.493 2.700 20 0 FFADHO Cn1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c(-c2ccc(F)cc2)n1 ZINC000580814320 519372311 /nfs/dbraw/zinc/37/23/11/519372311.db2.gz MTVYCACPYXYMMC-VQTJNVASSA-N 1 3 372.488 2.694 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000569101593 519378670 /nfs/dbraw/zinc/37/86/70/519378670.db2.gz ZSLBVVYFFQZQDU-ARFHVFGLSA-N 1 3 352.548 2.946 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000569101594 519378931 /nfs/dbraw/zinc/37/89/31/519378931.db2.gz ZSLBVVYFFQZQDU-HRCADAONSA-N 1 3 352.548 2.946 20 0 FFADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000569141797 519398921 /nfs/dbraw/zinc/39/89/21/519398921.db2.gz KDYDZCHWIBNCGL-NRFANRHFSA-N 1 3 372.557 2.775 20 0 FFADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000569141797 519398928 /nfs/dbraw/zinc/39/89/28/519398928.db2.gz KDYDZCHWIBNCGL-NRFANRHFSA-N 1 3 372.557 2.775 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C2CC2)[NH+](C)C)cc1 ZINC000583832631 519456966 /nfs/dbraw/zinc/45/69/66/519456966.db2.gz IWFJSVDBHBMUNN-WOJBJXKFSA-N 1 3 359.514 2.820 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000569335745 519499862 /nfs/dbraw/zinc/49/98/62/519499862.db2.gz QKMDEXWNQXICSX-IOMROCGXSA-N 1 3 370.541 2.907 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000569335745 519499865 /nfs/dbraw/zinc/49/98/65/519499865.db2.gz QKMDEXWNQXICSX-IOMROCGXSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000575151982 519528059 /nfs/dbraw/zinc/52/80/59/519528059.db2.gz HMJGXAHYIMNHGW-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO OC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000583990003 519537106 /nfs/dbraw/zinc/53/71/06/519537106.db2.gz YVOBJIIUKZJVOH-HXUWFJFHSA-N 1 3 358.526 2.810 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccsc1 ZINC000566617275 519580309 /nfs/dbraw/zinc/58/03/09/519580309.db2.gz MRECOEUALSUCNF-JCYILVPMSA-N 1 3 353.532 2.534 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000578425087 519585310 /nfs/dbraw/zinc/58/53/10/519585310.db2.gz GUVNEEIJKNHVCT-IXDOHACOSA-N 1 3 364.559 2.900 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000569559377 519609785 /nfs/dbraw/zinc/60/97/85/519609785.db2.gz WRQMBOWRQOCJJF-MSOLQXFVSA-N 1 3 350.551 2.849 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)N1CCc2ccccc2C1 ZINC000591406436 519618605 /nfs/dbraw/zinc/61/86/05/519618605.db2.gz JARVRXVOOPXEDM-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)N1CCc2ccccc2C1 ZINC000591406436 519618610 /nfs/dbraw/zinc/61/86/10/519618610.db2.gz JARVRXVOOPXEDM-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCS[C@@H](C)CC3)CC2)CC1 ZINC000566747462 519629674 /nfs/dbraw/zinc/62/96/74/519629674.db2.gz UFRSXPSDMSLMAN-INIZCTEOSA-N 1 3 353.576 2.537 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[NH+]1CCCC1 ZINC000591569667 519953973 /nfs/dbraw/zinc/95/39/73/519953973.db2.gz KZQGSWXTSBNFJR-WOJBJXKFSA-N 1 3 360.546 2.579 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000594495236 520004454 /nfs/dbraw/zinc/00/44/54/520004454.db2.gz OLTVYLZJINSXCF-KKSFZXQISA-N 1 3 372.509 2.941 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000608663879 520071379 /nfs/dbraw/zinc/07/13/79/520071379.db2.gz OOCRLBJRQZIKRY-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000608705532 520090568 /nfs/dbraw/zinc/09/05/68/520090568.db2.gz GTXKIPMLHJDVDL-SJBKTWHCSA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000608705532 520090577 /nfs/dbraw/zinc/09/05/77/520090577.db2.gz GTXKIPMLHJDVDL-SJBKTWHCSA-N 1 3 372.557 2.774 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C[C@H]1C ZINC000595074106 520280829 /nfs/dbraw/zinc/28/08/29/520280829.db2.gz VMWHBKPCDXRBKX-UMSONDCASA-N 1 3 374.525 2.711 20 0 FFADHO C[C@](CO)(NC/C=C/C[NH2+][C@](C)(CO)c1ccccc1)c1ccccc1 ZINC000600645439 520373446 /nfs/dbraw/zinc/37/34/46/520373446.db2.gz LRHWTRRTRDAWRC-CXNSYNGHSA-N 1 3 354.494 2.537 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000592493485 520417145 /nfs/dbraw/zinc/41/71/45/520417145.db2.gz SQMKHININMVIDZ-ROUUACIJSA-N 1 3 372.513 2.663 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000600843404 520497053 /nfs/dbraw/zinc/49/70/53/520497053.db2.gz APTWNZXXIBSCNV-NHCUHLMSSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000600843404 520497061 /nfs/dbraw/zinc/49/70/61/520497061.db2.gz APTWNZXXIBSCNV-NHCUHLMSSA-N 1 3 372.557 2.997 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)CC1 ZINC000604634201 520625844 /nfs/dbraw/zinc/62/58/44/520625844.db2.gz IODHFENYYYGHKC-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000601254087 520709519 /nfs/dbraw/zinc/70/95/19/520709519.db2.gz IMUDEBLNNRXBKH-HXUWFJFHSA-N 1 3 372.557 2.995 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000595900405 520805769 /nfs/dbraw/zinc/80/57/69/520805769.db2.gz FMNDZRDEYBEJDB-GOSISDBHSA-N 1 3 372.513 2.663 20 0 FFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000614343763 520917299 /nfs/dbraw/zinc/91/72/99/520917299.db2.gz YQEDNYMMCQBUCO-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000614343763 520917304 /nfs/dbraw/zinc/91/73/04/520917304.db2.gz YQEDNYMMCQBUCO-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000614446103 520969401 /nfs/dbraw/zinc/96/94/01/520969401.db2.gz LWXDIYRZCMLRCH-SCTDSRPQSA-N 1 3 367.578 2.579 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000606638473 521117976 /nfs/dbraw/zinc/11/79/76/521117976.db2.gz KNDDMRBEIAUUHM-ZWKOTPCHSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000606638473 521117993 /nfs/dbraw/zinc/11/79/93/521117993.db2.gz KNDDMRBEIAUUHM-ZWKOTPCHSA-N 1 3 350.551 2.909 20 0 FFADHO O[C@]1(CNCc2ccc(-n3ccnc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366617 521342866 /nfs/dbraw/zinc/34/28/66/521342866.db2.gz PRAPMEFZIMEBSK-QFIPXVFZSA-N 1 3 362.477 2.599 20 0 FFADHO O[C@]1(CNCc2ccc(-n3ccnc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366617 521342877 /nfs/dbraw/zinc/34/28/77/521342877.db2.gz PRAPMEFZIMEBSK-QFIPXVFZSA-N 1 3 362.477 2.599 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCc4ccccc4)C3)C2)C1 ZINC000615356123 521381885 /nfs/dbraw/zinc/38/18/85/521381885.db2.gz LNXZOBMPBZPPPJ-JTHBVZDNSA-N 1 3 369.553 2.885 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)C2)C1 ZINC000615356123 521381888 /nfs/dbraw/zinc/38/18/88/521381888.db2.gz LNXZOBMPBZPPPJ-JTHBVZDNSA-N 1 3 369.553 2.885 20 0 FFADHO COC(=O)c1csc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000602704033 521487029 /nfs/dbraw/zinc/48/70/29/521487029.db2.gz AYVNYXBWQYFOLT-UHFFFAOYSA-N 1 3 352.500 2.515 20 0 FFADHO FC(F)(F)c1ccc(CN2CCCN(CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634994191 521856236 /nfs/dbraw/zinc/85/62/36/521856236.db2.gz UQRAYITUFKQEPN-UHFFFAOYSA-N 1 3 353.432 2.965 20 0 FFADHO COc1cc(NC(C)=O)ccc1[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007070 521864502 /nfs/dbraw/zinc/86/45/02/521864502.db2.gz DOSWKZSBMVSCML-AWEZNQCLSA-N 1 3 369.469 2.631 20 0 FFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000635006239 521864749 /nfs/dbraw/zinc/86/47/49/521864749.db2.gz BAUAKVVQVZDCMC-CQSZACIVSA-N 1 3 351.454 2.549 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635012576 521867672 /nfs/dbraw/zinc/86/76/72/521867672.db2.gz WSAMHQILQQWEGH-OAHLLOKOSA-N 1 3 353.466 2.848 20 0 FFADHO Cc1cn2c(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)c(C)nc2s1 ZINC000623449030 522030406 /nfs/dbraw/zinc/03/04/06/522030406.db2.gz XRYHINDKZQYVCM-KBPBESRZSA-N 1 3 350.532 2.992 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](OC)C3CCCC3)CC2)CC1 ZINC000620165426 522094538 /nfs/dbraw/zinc/09/45/38/522094538.db2.gz ZRKJVBPJEUSWSR-HXUWFJFHSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000620196017 522114724 /nfs/dbraw/zinc/11/47/24/522114724.db2.gz KUNIDYJHSCKIDZ-QUCCMNQESA-N 1 3 355.526 2.747 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000620196017 522114736 /nfs/dbraw/zinc/11/47/36/522114736.db2.gz KUNIDYJHSCKIDZ-QUCCMNQESA-N 1 3 355.526 2.747 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000623566598 522125496 /nfs/dbraw/zinc/12/54/96/522125496.db2.gz XRCURQJOVNJAFW-UXHICEINSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000623566598 522125505 /nfs/dbraw/zinc/12/55/05/522125505.db2.gz XRCURQJOVNJAFW-UXHICEINSA-N 1 3 358.530 2.914 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000623656850 522196227 /nfs/dbraw/zinc/19/62/27/522196227.db2.gz DFGLJGSJEMFIJC-AOCRQIFASA-N 1 3 369.509 2.915 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629529768 522299376 /nfs/dbraw/zinc/29/93/76/522299376.db2.gz MJVBVJPZOPTOIE-WBMJQRKESA-N 1 3 366.303 2.763 20 0 FFADHO [NH3+]CCCOCCN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000629536752 522301107 /nfs/dbraw/zinc/30/11/07/522301107.db2.gz HXXMHORDCBBIEC-HZPDHXFCSA-N 1 3 357.292 2.624 20 0 FFADHO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)CN1CCCC1 ZINC000629576239 522328294 /nfs/dbraw/zinc/32/82/94/522328294.db2.gz SHUARTXDLOAZGO-HIFRSBDPSA-N 1 3 358.313 2.618 20 0 FFADHO CCOc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)nc1C ZINC000620646779 522334095 /nfs/dbraw/zinc/33/40/95/522334095.db2.gz KXBZHMZWUPIFNU-UHFFFAOYSA-N 1 3 374.529 2.924 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000632937797 522410963 /nfs/dbraw/zinc/41/09/63/522410963.db2.gz MKYZTIPPNBDVLH-UHFFFAOYSA-N 1 3 352.482 2.758 20 0 FFADHO CN1CCN(Cc2ccccc2-c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC000629735065 522424870 /nfs/dbraw/zinc/42/48/70/522424870.db2.gz GTGLRLCNFBLZTN-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c2cccs2)CC1 ZINC000626922001 522531472 /nfs/dbraw/zinc/53/14/72/522531472.db2.gz MDWQFTKMPHKLEF-YESZJQIVSA-N 1 3 364.559 2.961 20 0 FFADHO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000624305259 522599137 /nfs/dbraw/zinc/59/91/37/522599137.db2.gz ZNXKJOYTUZYTID-AXUOBQJMSA-N 1 3 356.470 2.708 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000630078697 522613412 /nfs/dbraw/zinc/61/34/12/522613412.db2.gz VAMVHEJAHBAOPS-IIAWOOMASA-N 1 3 354.397 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000627129201 522668090 /nfs/dbraw/zinc/66/80/90/522668090.db2.gz UOKSGNHQCGEQBQ-HOTGVXAUSA-N 1 3 350.894 2.527 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000627201611 522712378 /nfs/dbraw/zinc/71/23/78/522712378.db2.gz IUZBXHDVVBECKZ-RAUXBKROSA-N 1 3 358.530 2.994 20 0 FFADHO CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)Cc1ccco1 ZINC000627213865 522721462 /nfs/dbraw/zinc/72/14/62/522721462.db2.gz BOKYVTHKVRRECT-LEWJYISDSA-N 1 3 369.509 2.905 20 0 FFADHO CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)Cc1ccco1 ZINC000627213865 522721468 /nfs/dbraw/zinc/72/14/68/522721468.db2.gz BOKYVTHKVRRECT-LEWJYISDSA-N 1 3 369.509 2.905 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621372577 522808248 /nfs/dbraw/zinc/80/82/48/522808248.db2.gz XQMCCTRIBUTONX-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621372577 522808262 /nfs/dbraw/zinc/80/82/62/522808262.db2.gz XQMCCTRIBUTONX-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621372577 522808266 /nfs/dbraw/zinc/80/82/66/522808266.db2.gz XQMCCTRIBUTONX-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621372577 522808272 /nfs/dbraw/zinc/80/82/72/522808272.db2.gz XQMCCTRIBUTONX-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636618281 523100736 /nfs/dbraw/zinc/10/07/36/523100736.db2.gz AWMBIELOGIMTMQ-FQEVSTJZSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631043429 523327696 /nfs/dbraw/zinc/32/76/96/523327696.db2.gz VTXUPNYJRRJYFO-CQSZACIVSA-N 1 3 373.950 2.589 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631043429 523327702 /nfs/dbraw/zinc/32/77/02/523327702.db2.gz VTXUPNYJRRJYFO-CQSZACIVSA-N 1 3 373.950 2.589 20 0 FFADHO Cc1nc(C)c(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000628204786 523418426 /nfs/dbraw/zinc/41/84/26/523418426.db2.gz MWPAVSDIGVTMSD-UHFFFAOYSA-N 1 3 356.514 2.979 20 0 FFADHO C[C@@]1(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCCS1 ZINC000628233528 523430958 /nfs/dbraw/zinc/43/09/58/523430958.db2.gz IGVZJCCDNXEYRP-FQEVSTJZSA-N 1 3 361.555 2.888 20 0 FFADHO CN(C)CCOc1ccc(CNc2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC000631226725 523477389 /nfs/dbraw/zinc/47/73/89/523477389.db2.gz OVQZKGBTQHVGAA-UHFFFAOYSA-N 1 3 357.502 2.702 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634734047 523619815 /nfs/dbraw/zinc/61/98/15/523619815.db2.gz VRPVCXZGEZNXGS-GJZGRUSLSA-N 1 3 363.502 2.789 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCCc3ncccc32)cc1 ZINC000631597618 523709928 /nfs/dbraw/zinc/70/99/28/523709928.db2.gz USVHETYIQLPOLA-HXUWFJFHSA-N 1 3 352.482 2.540 20 0 FFADHO C[N@H+](Cc1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1)C1CC1 ZINC001164731687 720453546 /nfs/dbraw/zinc/45/35/46/720453546.db2.gz MCSISWBWFIZJCQ-NHCUHLMSSA-N 1 3 363.509 2.924 20 0 FFADHO C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1)C1CC1 ZINC001164731687 720453554 /nfs/dbraw/zinc/45/35/54/720453554.db2.gz MCSISWBWFIZJCQ-NHCUHLMSSA-N 1 3 363.509 2.924 20 0 FFADHO CCCN1CCC([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)CC1 ZINC000898291654 735338291 /nfs/dbraw/zinc/33/82/91/735338291.db2.gz KYDSXARQYQGRMW-UHFFFAOYSA-N 1 3 351.516 2.555 20 0 FFADHO CC(C)CCN1CCC([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898370684 735349528 /nfs/dbraw/zinc/34/95/28/735349528.db2.gz AVWWWIQLIWIEOT-OAHLLOKOSA-N 1 3 367.925 2.514 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000125932973 728689834 /nfs/dbraw/zinc/68/98/34/728689834.db2.gz DADSUAQDOBUKKP-PBHICJAKSA-N 1 3 355.548 2.612 20 0 FFADHO COc1cc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)sn1 ZINC000638385867 730024024 /nfs/dbraw/zinc/02/40/24/730024024.db2.gz IPVFHQPIFMHBLT-UHFFFAOYSA-N 1 3 360.527 2.844 20 0 FFADHO CN(C)[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)c1ccc(Cl)cc1 ZINC000638722517 730040958 /nfs/dbraw/zinc/04/09/58/730040958.db2.gz RWGWFQSQLVDPLZ-GOSISDBHSA-N 1 3 353.938 2.768 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3nccs3)CC2)CC1 ZINC000639984578 730115603 /nfs/dbraw/zinc/11/56/03/730115603.db2.gz HJDVDFMSIJSMPE-UHFFFAOYSA-N 1 3 350.576 2.814 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)cc1 ZINC000641698336 730247734 /nfs/dbraw/zinc/24/77/34/730247734.db2.gz VNWNUTLCRNMGBP-UHFFFAOYSA-N 1 3 367.559 2.635 20 0 FFADHO CCCN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCN(C)C1 ZINC000645422395 730551568 /nfs/dbraw/zinc/55/15/68/730551568.db2.gz LLYUTRUIDZJGTI-AOIWGVFYSA-N 1 3 350.551 2.765 20 0 FFADHO CCCN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCN(C)C1 ZINC000645422395 730551572 /nfs/dbraw/zinc/55/15/72/730551572.db2.gz LLYUTRUIDZJGTI-AOIWGVFYSA-N 1 3 350.551 2.765 20 0 FFADHO CN(CCCOc1cccc(S(C)(=O)=O)c1)CCCC1CC[NH2+]CC1 ZINC000647882125 730768809 /nfs/dbraw/zinc/76/88/09/730768809.db2.gz MCASMCDAVQGHDH-UHFFFAOYSA-N 1 3 368.543 2.571 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000650758772 731025883 /nfs/dbraw/zinc/02/58/83/731025883.db2.gz XFYYMHLAKWVLNS-OAHLLOKOSA-N 1 3 361.511 2.507 20 0 FFADHO CCCCN(CCCC)C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346569 731185387 /nfs/dbraw/zinc/18/53/87/731185387.db2.gz ANUQQCFCKWTLNV-IPMKNSEASA-N 1 3 353.551 2.634 20 0 FFADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000925515252 738512027 /nfs/dbraw/zinc/51/20/27/738512027.db2.gz QUTHMXJJWKOENQ-UMVBOHGHSA-N 1 3 354.878 2.640 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925595690 738517399 /nfs/dbraw/zinc/51/73/99/738517399.db2.gz AKUBNCZRUSAVMQ-CABCVRRESA-N 1 3 366.303 2.946 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 ZINC000656197874 731557190 /nfs/dbraw/zinc/55/71/90/731557190.db2.gz CNRRCLJKODTKNU-KFWWJZLASA-N 1 3 355.404 2.666 20 0 FFADHO CC[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000925779096 738529300 /nfs/dbraw/zinc/52/93/00/738529300.db2.gz WDMLGHLOLBKKIS-RRFJBIMHSA-N 1 3 361.477 2.999 20 0 FFADHO O=C1O[C@@H](CN[C@@H]2CCCOc3cc(Cl)ccc32)CC12CC[NH2+]CC2 ZINC000925858492 738538628 /nfs/dbraw/zinc/53/86/28/738538628.db2.gz TXIYPCYOZNTVCJ-GDBMZVCRSA-N 1 3 364.873 2.829 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCc1ccc(Cl)cc1 ZINC000662294295 732294405 /nfs/dbraw/zinc/29/44/05/732294405.db2.gz KRWLPMDBHHDEJV-GOSISDBHSA-N 1 3 363.933 2.710 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(NCc2ncc(C(C)(C)C)s2)CC1 ZINC000663505303 732451352 /nfs/dbraw/zinc/45/13/52/732451352.db2.gz HGYCSQQVTDJMMO-UHFFFAOYSA-N 1 3 352.548 2.521 20 0 FFADHO C[NH+]1CCC2(CCN(C[C@H](O)c3ccccc3Br)C2)CC1 ZINC000878865974 732606025 /nfs/dbraw/zinc/60/60/25/732606025.db2.gz GUZJAGWXZIAQRM-INIZCTEOSA-N 1 3 353.304 2.900 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000665268065 732685635 /nfs/dbraw/zinc/68/56/35/732685635.db2.gz GSBBMOSRDLZCGV-GJZGRUSLSA-N 1 3 362.509 2.772 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000665268065 732685638 /nfs/dbraw/zinc/68/56/38/732685638.db2.gz GSBBMOSRDLZCGV-GJZGRUSLSA-N 1 3 362.509 2.772 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000665637229 732734438 /nfs/dbraw/zinc/73/44/38/732734438.db2.gz YKGGYUVCQXEMCJ-HNNXBMFYSA-N 1 3 354.926 2.753 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000665637229 732734440 /nfs/dbraw/zinc/73/44/40/732734440.db2.gz YKGGYUVCQXEMCJ-HNNXBMFYSA-N 1 3 354.926 2.753 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000665761970 732752956 /nfs/dbraw/zinc/75/29/56/732752956.db2.gz WFFWOFHNAQXXFZ-KKUMJFAQSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000665761970 732752958 /nfs/dbraw/zinc/75/29/58/732752958.db2.gz WFFWOFHNAQXXFZ-KKUMJFAQSA-N 1 3 366.472 2.631 20 0 FFADHO C[NH+](C)Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000665935375 732776097 /nfs/dbraw/zinc/77/60/97/732776097.db2.gz FFRQRWOAPQSGBB-GJZGRUSLSA-N 1 3 360.376 2.671 20 0 FFADHO COc1cc(Br)c(CN[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950907 732921863 /nfs/dbraw/zinc/92/18/63/732921863.db2.gz PXGCIXVPFGROMR-OAHLLOKOSA-N 1 3 355.276 2.698 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccsc1 ZINC000669279522 733207696 /nfs/dbraw/zinc/20/76/96/733207696.db2.gz SEDCXLOMRNYWEQ-HYVNUMGLSA-N 1 3 350.532 2.524 20 0 FFADHO C[C@@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000883359921 733373249 /nfs/dbraw/zinc/37/32/49/733373249.db2.gz QKJQBCXHISANPL-RISCZKNCSA-N 1 3 370.362 2.836 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3C[C@H]4CC[C@@H](C3)S4)CC2)CC1 ZINC000888367017 734042690 /nfs/dbraw/zinc/04/26/90/734042690.db2.gz YOUZCVJWXJOKAZ-JLYLLQBASA-N 1 3 365.587 2.726 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCSC(C)(C)C3)CC2)CC1 ZINC000888799135 734099246 /nfs/dbraw/zinc/09/92/46/734099246.db2.gz WXWDNXQMIOWDHO-KRWDZBQOSA-N 1 3 367.603 2.973 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000892142049 734521286 /nfs/dbraw/zinc/52/12/86/734521286.db2.gz BZOJZFFDSLYNRA-KURKYZTESA-N 1 3 351.535 2.953 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000892142049 734521288 /nfs/dbraw/zinc/52/12/88/734521288.db2.gz BZOJZFFDSLYNRA-KURKYZTESA-N 1 3 351.535 2.953 20 0 FFADHO CC[NH+]1CCC(CNCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC000892935605 734625483 /nfs/dbraw/zinc/62/54/83/734625483.db2.gz ASPSKDHSDJWWRS-UHFFFAOYSA-N 1 3 351.495 2.589 20 0 FFADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc(-c3cccs3)s1)C2 ZINC000903979105 736198794 /nfs/dbraw/zinc/19/87/94/736198794.db2.gz VRFXZXVFGLWLCG-JKDFXYPNSA-N 1 3 363.508 2.584 20 0 FFADHO COc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(OC(F)F)c1 ZINC000904392605 736248318 /nfs/dbraw/zinc/24/83/18/736248318.db2.gz UZXCNIVJYJYSCC-OAHLLOKOSA-N 1 3 356.413 2.626 20 0 FFADHO C[C@H]1C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)CN1Cc1ccccc1 ZINC000757542654 736409022 /nfs/dbraw/zinc/40/90/22/736409022.db2.gz NLOCYJMPEVBEHP-WMZOPIPTSA-N 1 3 362.587 2.701 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@](C)(O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000773122243 737873139 /nfs/dbraw/zinc/87/31/39/737873139.db2.gz XADCISCFTVMOCH-FFZOFVMBSA-N 1 3 352.494 2.760 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@](C)(O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000773122243 737873144 /nfs/dbraw/zinc/87/31/44/737873144.db2.gz XADCISCFTVMOCH-FFZOFVMBSA-N 1 3 352.494 2.760 20 0 FFADHO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775396797 738090033 /nfs/dbraw/zinc/09/00/33/738090033.db2.gz XCSIGELZYJVTHI-VQIMIIECSA-N 1 3 350.503 2.729 20 0 FFADHO O[C@@H](CN(Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccsc1 ZINC000923318611 738270362 /nfs/dbraw/zinc/27/03/62/738270362.db2.gz NCYAYBCXQFRSJI-OALUTQOASA-N 1 3 358.507 2.662 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000806602877 741073477 /nfs/dbraw/zinc/07/34/77/741073477.db2.gz CYDGDXBFNXAARA-IBGZPJMESA-N 1 3 364.603 2.904 20 0 FFADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2ccc(F)cc2Cl)ccn1 ZINC000819196255 742351878 /nfs/dbraw/zinc/35/18/78/742351878.db2.gz QGWROVHXIVADFU-QGZVFWFLSA-N 1 3 367.852 2.638 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC001020171002 742536029 /nfs/dbraw/zinc/53/60/29/742536029.db2.gz IMYAADJHIBURCB-NMFUWQPSSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC001020171002 742536032 /nfs/dbraw/zinc/53/60/32/742536032.db2.gz IMYAADJHIBURCB-NMFUWQPSSA-N 1 3 353.869 2.556 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC001020174554 742536801 /nfs/dbraw/zinc/53/68/01/742536801.db2.gz GDYYVAHABGMESD-QBYUYEEZSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC001020174554 742536805 /nfs/dbraw/zinc/53/68/05/742536805.db2.gz GDYYVAHABGMESD-QBYUYEEZSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2cc(C)ns2)CC[N@@H+]1C ZINC001024967823 742737535 /nfs/dbraw/zinc/73/75/35/742737535.db2.gz KCIVOIPCOIPLMF-BPQIPLTHSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2cc(C)ns2)CC[N@H+]1C ZINC001024967823 742737537 /nfs/dbraw/zinc/73/75/37/742737537.db2.gz KCIVOIPCOIPLMF-BPQIPLTHSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1nc(CNC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)sc1C ZINC001026496314 742753332 /nfs/dbraw/zinc/75/33/32/742753332.db2.gz XBHSRZAKZZGVEC-LHUBUQBQSA-N 1 3 364.559 2.617 20 0 FFADHO Cc1nc(CNC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)sc1C ZINC001026496314 742753337 /nfs/dbraw/zinc/75/33/37/742753337.db2.gz XBHSRZAKZZGVEC-LHUBUQBQSA-N 1 3 364.559 2.617 20 0 FFADHO CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCF)CC1 ZINC001052992112 744956825 /nfs/dbraw/zinc/95/68/25/744956825.db2.gz BVUKNJYBNFQKLI-OQIJWPOYSA-N 1 3 351.510 2.532 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc(Cl)n1 ZINC000831875780 745598196 /nfs/dbraw/zinc/59/81/96/745598196.db2.gz BJZGXDOZUKLAON-XJKSGUPXSA-N 1 3 352.910 2.622 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCC([NH3+])CC1 ZINC000841637740 747422507 /nfs/dbraw/zinc/42/25/07/747422507.db2.gz VWCONMJVASETMD-GPANFISMSA-N 1 3 350.532 2.796 20 0 FFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850490751 749372890 /nfs/dbraw/zinc/37/28/90/749372890.db2.gz GCPSOHDXUDEHGD-PUYAPDRXSA-N 1 3 354.482 2.930 20 0 FFADHO [NH3+]CCCCCCCN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000852758908 749947026 /nfs/dbraw/zinc/94/70/26/749947026.db2.gz GYLKEDKROULZHJ-SFHVURJKSA-N 1 3 353.532 2.802 20 0 FFADHO FC1(F)[C@@H]2CCCO[C@@]21CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000854229861 750266056 /nfs/dbraw/zinc/26/60/56/750266056.db2.gz YNKJQRGYAZYCCA-BGTYHANMSA-N 1 3 350.409 2.646 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CCNCc1ccc(F)cn1 ZINC001104924451 971165362 /nfs/dbraw/zinc/16/53/62/971165362.db2.gz NHRALGOYTBAJHA-IAGOWNOFSA-N 1 3 364.509 2.527 20 0 FFADHO CCc1nocc1CNCC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924114 971165855 /nfs/dbraw/zinc/16/58/55/971165855.db2.gz GYMYIEFTRHBCEY-IAGOWNOFSA-N 1 3 364.534 2.543 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1)[NH+]1CCCCC1 ZINC001087966604 971374118 /nfs/dbraw/zinc/37/41/18/971374118.db2.gz LJGDLXLVULXHOS-WRBKUFGZSA-N 1 3 353.938 2.784 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088023127 971897749 /nfs/dbraw/zinc/89/77/49/971897749.db2.gz PZXJKUBPDMFJAT-DVCCBGGTSA-N 1 3 353.938 2.640 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1 ZINC001088023127 971897755 /nfs/dbraw/zinc/89/77/55/971897755.db2.gz PZXJKUBPDMFJAT-DVCCBGGTSA-N 1 3 353.938 2.640 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000660450346 971938760 /nfs/dbraw/zinc/93/87/60/971938760.db2.gz ROILOJRYFZKDRD-NZSAHSFTSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000660450346 971938763 /nfs/dbraw/zinc/93/87/63/971938763.db2.gz ROILOJRYFZKDRD-NZSAHSFTSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C[C@H](C)O1 ZINC000660541693 972185995 /nfs/dbraw/zinc/18/59/95/972185995.db2.gz XPFPZXWUFODWBU-RZUBCFFCSA-N 1 3 357.542 2.694 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C[C@H](C)O1 ZINC000660541693 972185998 /nfs/dbraw/zinc/18/59/98/972185998.db2.gz XPFPZXWUFODWBU-RZUBCFFCSA-N 1 3 357.542 2.694 20 0 FFADHO C[NH+](C)CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)CC1 ZINC001211661656 972477116 /nfs/dbraw/zinc/47/71/16/972477116.db2.gz DZPXHPANFSWQLM-GCYIJFDNSA-N 1 3 361.917 2.665 20 0 FFADHO CCN(CC)C(=O)c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655686306 961067790 /nfs/dbraw/zinc/06/77/90/961067790.db2.gz COMBRLVIGDCVIO-FQEVSTJZSA-N 1 3 359.514 2.512 20 0 FFADHO O=C(N1CCN(C2CCCCC2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648149547 961643573 /nfs/dbraw/zinc/64/35/73/961643573.db2.gz IGCSEJSEYOOFRX-UHFFFAOYSA-N 1 3 355.526 2.785 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)CC[N@@H+]1C ZINC000959969018 1013289054 /nfs/dbraw/zinc/28/90/54/1013289054.db2.gz VDVWEQNCUOEUMX-WXRGLTTHSA-N 1 3 367.493 2.710 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)CC[N@H+]1C ZINC000959969018 1013289061 /nfs/dbraw/zinc/28/90/61/1013289061.db2.gz VDVWEQNCUOEUMX-WXRGLTTHSA-N 1 3 367.493 2.710 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001095424113 1013332236 /nfs/dbraw/zinc/33/22/36/1013332236.db2.gz FXMABZLOZAXILU-CGXNFDGLSA-N 1 3 353.510 2.558 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC=C(Cl)Cl ZINC001104291958 962347249 /nfs/dbraw/zinc/34/72/49/962347249.db2.gz BQYALAFOZAWTRG-XNRPHZJLSA-N 1 3 362.345 2.720 20 0 FFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCCO1 ZINC000655349333 962562231 /nfs/dbraw/zinc/56/22/31/962562231.db2.gz PQKCZQYPZANHEY-UXHICEINSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001095437938 1013372376 /nfs/dbraw/zinc/37/23/76/1013372376.db2.gz PMVNVBVTXQSRPB-RATCPTGTSA-N 1 3 366.509 2.730 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001095437938 1013372384 /nfs/dbraw/zinc/37/23/84/1013372384.db2.gz PMVNVBVTXQSRPB-RATCPTGTSA-N 1 3 366.509 2.730 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)N3CCCCCC3)[C@H]2C1 ZINC001083215065 963559267 /nfs/dbraw/zinc/55/92/67/963559267.db2.gz GKTXMPKPOQJOBP-YZGWKJHDSA-N 1 3 365.562 2.599 20 0 FFADHO CCC(CC)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)N3CCCCCC3)[C@H]2C1 ZINC001083215065 963559273 /nfs/dbraw/zinc/55/92/73/963559273.db2.gz GKTXMPKPOQJOBP-YZGWKJHDSA-N 1 3 365.562 2.599 20 0 FFADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243027 1013442972 /nfs/dbraw/zinc/44/29/72/1013442972.db2.gz IPJLFGUKDDTFOZ-FOIQADDNSA-N 1 3 351.454 2.592 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000656696345 964037248 /nfs/dbraw/zinc/03/72/48/964037248.db2.gz FVQNSPFTSCBOGI-IBGZPJMESA-N 1 3 362.493 2.781 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000656696345 964037264 /nfs/dbraw/zinc/03/72/64/964037264.db2.gz FVQNSPFTSCBOGI-IBGZPJMESA-N 1 3 362.493 2.781 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CCCCCC[NH3+])cc2)CC1 ZINC000873301025 1013467978 /nfs/dbraw/zinc/46/79/78/1013467978.db2.gz KNMWKXJLJKHTTO-UHFFFAOYSA-N 1 3 361.534 2.811 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001104362916 964088152 /nfs/dbraw/zinc/08/81/52/964088152.db2.gz PJBZQRKCKRYYOQ-KURKYZTESA-N 1 3 367.578 2.606 20 0 FFADHO COCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506964 964696862 /nfs/dbraw/zinc/69/68/62/964696862.db2.gz PFFHFCYBDUMUOF-RXVVDRJESA-N 1 3 365.562 2.506 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000891704253 964901306 /nfs/dbraw/zinc/90/13/06/964901306.db2.gz SXDULXUCAVRJNY-QGZVFWFLSA-N 1 3 373.545 2.910 20 0 FFADHO CC(C)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087467396 965074432 /nfs/dbraw/zinc/07/44/32/965074432.db2.gz UVAYLZFJGHCVTM-WOJBJXKFSA-N 1 3 361.505 2.850 20 0 FFADHO COc1ccc2nccc(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000894478860 965405186 /nfs/dbraw/zinc/40/51/86/965405186.db2.gz FDEDCKXDKPNQAP-UHFFFAOYSA-N 1 3 355.482 2.968 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645361601 965787325 /nfs/dbraw/zinc/78/73/25/965787325.db2.gz RZNIYSUKFVGNAG-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645361601 965787333 /nfs/dbraw/zinc/78/73/33/965787333.db2.gz RZNIYSUKFVGNAG-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CC[C@H](C)C2)s1 ZINC001087212999 966587219 /nfs/dbraw/zinc/58/72/19/966587219.db2.gz ZPPAMHZWVXYYND-VYDXJSESSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C[NH2+]Cc2cncs2)C1 ZINC001087213198 966592369 /nfs/dbraw/zinc/59/23/69/966592369.db2.gz JIJYTWPOPLUCMZ-CVEARBPZSA-N 1 3 364.559 2.592 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112159861 967640931 /nfs/dbraw/zinc/64/09/31/967640931.db2.gz DRUVTGCBLYGZPT-RBSFLKMASA-N 1 3 351.457 2.598 20 0 FFADHO C[C@@H](CCNC(=O)C1(N)Cc2ccccc2C1)[N@H+](C)Cc1ccccc1 ZINC000178857564 967664848 /nfs/dbraw/zinc/66/48/48/967664848.db2.gz WXEUQHBXCUSBLU-KRWDZBQOSA-N 1 3 351.494 2.510 20 0 FFADHO C[C@@H](CCNC(=O)C1(N)Cc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000178857564 967664853 /nfs/dbraw/zinc/66/48/53/967664853.db2.gz WXEUQHBXCUSBLU-KRWDZBQOSA-N 1 3 351.494 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC001029313738 967691283 /nfs/dbraw/zinc/69/12/83/967691283.db2.gz MQMSUZBJEYWEJX-NRSFXHEJSA-N 1 3 369.500 2.827 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC001029313738 967691285 /nfs/dbraw/zinc/69/12/85/967691285.db2.gz MQMSUZBJEYWEJX-NRSFXHEJSA-N 1 3 369.500 2.827 20 0 FFADHO CC[C@@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000669483839 967752731 /nfs/dbraw/zinc/75/27/31/967752731.db2.gz OYFZXTWPBLQRGI-RLLQIKCJSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](CNCc2cccnc2)C1 ZINC001087249039 968054926 /nfs/dbraw/zinc/05/49/26/968054926.db2.gz FRUMFEIMVRLLKA-QUCCMNQESA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](CNCc2ccccn2)C1 ZINC001087249356 968063477 /nfs/dbraw/zinc/06/34/77/968063477.db2.gz XQNPFGXDAUTJAX-QUCCMNQESA-N 1 3 358.530 2.674 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1ccc(C)nc1C ZINC001087578752 968236020 /nfs/dbraw/zinc/23/60/20/968236020.db2.gz MRKWSOZNARXEDN-UWHLTILDSA-N 1 3 372.557 2.898 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1ccc(C)nc1C ZINC001087578752 968236032 /nfs/dbraw/zinc/23/60/32/968236032.db2.gz MRKWSOZNARXEDN-UWHLTILDSA-N 1 3 372.557 2.898 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@@H+]1CC1CCOCC1 ZINC001087636616 968439244 /nfs/dbraw/zinc/43/92/44/968439244.db2.gz ZXLPLVZUAOSXRV-XUVXKRRUSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@H+]1CC1CCOCC1 ZINC001087636616 968439248 /nfs/dbraw/zinc/43/92/48/968439248.db2.gz ZXLPLVZUAOSXRV-XUVXKRRUSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000658297212 968637979 /nfs/dbraw/zinc/63/79/79/968637979.db2.gz YZPOTCRDUUYRCY-WMZHIEFXSA-N 1 3 371.569 2.925 20 0 FFADHO C[C@@H]1C[C@@H](NCCN2C[C@H]3CCCCN3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000658309219 968643571 /nfs/dbraw/zinc/64/35/71/968643571.db2.gz OIQDZMZCNNZCFE-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@@H](NCCN2C[C@H]3CCCCN3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000658309219 968643577 /nfs/dbraw/zinc/64/35/77/968643577.db2.gz OIQDZMZCNNZCFE-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C=CCNC(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000066243021 969301814 /nfs/dbraw/zinc/30/18/14/969301814.db2.gz OELJXOULOAGFSM-UHFFFAOYSA-N 1 3 363.509 2.599 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC=CCCC3)CC2)CC1 ZINC000892522294 969353552 /nfs/dbraw/zinc/35/35/52/969353552.db2.gz WNXYXSMDGONWAK-GOSISDBHSA-N 1 3 362.562 2.981 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(Cl)cc1C ZINC001480976080 969471413 /nfs/dbraw/zinc/47/14/13/969471413.db2.gz SEOWALIQLJNZQN-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(Cl)cc1C ZINC001480976080 969471416 /nfs/dbraw/zinc/47/14/16/969471416.db2.gz SEOWALIQLJNZQN-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+]1CCC(C)CC1 ZINC000659031839 969646308 /nfs/dbraw/zinc/64/63/08/969646308.db2.gz OTJUIHRDRXERME-QFBILLFUSA-N 1 3 360.502 2.589 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659034912 969651617 /nfs/dbraw/zinc/65/16/17/969651617.db2.gz GHYVEIZRGRHWOI-MOPGFXCFSA-N 1 3 360.502 2.686 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659034912 969651622 /nfs/dbraw/zinc/65/16/22/969651622.db2.gz GHYVEIZRGRHWOI-MOPGFXCFSA-N 1 3 360.502 2.686 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659034915 969651646 /nfs/dbraw/zinc/65/16/46/969651646.db2.gz GHYVEIZRGRHWOI-RTBURBONSA-N 1 3 360.502 2.686 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659034915 969651652 /nfs/dbraw/zinc/65/16/52/969651652.db2.gz GHYVEIZRGRHWOI-RTBURBONSA-N 1 3 360.502 2.686 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659035576 969652764 /nfs/dbraw/zinc/65/27/64/969652764.db2.gz YFSVKOQEPBVBOI-GPMSIDNRSA-N 1 3 360.502 2.732 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659035290 969653316 /nfs/dbraw/zinc/65/33/16/969653316.db2.gz JBKOKVKHKZVBNN-LJQANCHMSA-N 1 3 360.502 2.734 20 0 FFADHO C[C@@H](CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000659037678 969655534 /nfs/dbraw/zinc/65/55/34/969655534.db2.gz JHRTYHBNJFARJN-QFBILLFUSA-N 1 3 360.502 2.734 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659047511 969667381 /nfs/dbraw/zinc/66/73/81/969667381.db2.gz RUWLZXMBPQKKGB-LJQANCHMSA-N 1 3 360.502 2.687 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000659424944 969912639 /nfs/dbraw/zinc/91/26/39/969912639.db2.gz DNASNUYZQDYAFL-UXHICEINSA-N 1 3 358.530 2.711 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659426728 969917581 /nfs/dbraw/zinc/91/75/81/969917581.db2.gz BODYYTLVOUPCIZ-RTWAWAEBSA-N 1 3 370.541 2.682 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1ccccc1 ZINC000874988724 1013940731 /nfs/dbraw/zinc/94/07/31/1013940731.db2.gz CANAIERWGPWXEP-IBGZPJMESA-N 1 3 358.530 2.807 20 0 FFADHO C[C@]1(CNC[C@H](O)COc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000311571625 970056986 /nfs/dbraw/zinc/05/69/86/970056986.db2.gz APOYNOCDXLBJEE-RBBKRZOGSA-N 1 3 354.494 2.928 20 0 FFADHO C[C@]1(CNC[C@H](O)COc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311571625 970056995 /nfs/dbraw/zinc/05/69/95/970056995.db2.gz APOYNOCDXLBJEE-RBBKRZOGSA-N 1 3 354.494 2.928 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001104676385 970084452 /nfs/dbraw/zinc/08/44/52/970084452.db2.gz HSEUMAZMDJTDFA-RBSFLKMASA-N 1 3 362.345 2.864 20 0 FFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)c1 ZINC001104729021 970181927 /nfs/dbraw/zinc/18/19/27/970181927.db2.gz NGMOISMSBIPINA-IEBWSBKVSA-N 1 3 354.498 2.843 20 0 FFADHO COC(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000895336627 970402055 /nfs/dbraw/zinc/40/20/55/970402055.db2.gz BCGHEXARMBWNKH-FQEVSTJZSA-N 1 3 368.477 2.638 20 0 FFADHO COC(=O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000895336627 970402064 /nfs/dbraw/zinc/40/20/64/970402064.db2.gz BCGHEXARMBWNKH-FQEVSTJZSA-N 1 3 368.477 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H](C)c4cccc(OC)c4)C[C@H]32)CC[N@@H+]1C ZINC001025794923 970425165 /nfs/dbraw/zinc/42/51/65/970425165.db2.gz CZEWSYCFTNTVQO-WCPWDIOKSA-N 1 3 371.525 2.533 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H](C)c4cccc(OC)c4)C[C@H]32)CC[N@H+]1C ZINC001025794923 970425171 /nfs/dbraw/zinc/42/51/71/970425171.db2.gz CZEWSYCFTNTVQO-WCPWDIOKSA-N 1 3 371.525 2.533 20 0 FFADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000312737032 970517788 /nfs/dbraw/zinc/51/77/88/970517788.db2.gz XENKKJSFYKGBMF-IEBWSBKVSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000312737032 970517798 /nfs/dbraw/zinc/51/77/98/970517798.db2.gz XENKKJSFYKGBMF-IEBWSBKVSA-N 1 3 362.481 2.835 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCc3cccs3)CC[C@@H]2C1)N(C)C ZINC001088095389 972735500 /nfs/dbraw/zinc/73/55/00/972735500.db2.gz LNZVSYKIEOMJGG-ZIFCJYIRSA-N 1 3 363.571 2.657 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCc3cccs3)CC[C@@H]2C1)N(C)C ZINC001088095389 972735510 /nfs/dbraw/zinc/73/55/10/972735510.db2.gz LNZVSYKIEOMJGG-ZIFCJYIRSA-N 1 3 363.571 2.657 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106948 972828898 /nfs/dbraw/zinc/82/88/98/972828898.db2.gz XXLBCUXNHZPMHY-WMQCIHAUSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106948 972828911 /nfs/dbraw/zinc/82/89/11/972828911.db2.gz XXLBCUXNHZPMHY-WMQCIHAUSA-N 1 3 355.526 2.617 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000665757778 974084896 /nfs/dbraw/zinc/08/48/96/974084896.db2.gz WJPFHAHGSVMTSB-NSHGMRRFSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000665757778 974084907 /nfs/dbraw/zinc/08/49/07/974084907.db2.gz WJPFHAHGSVMTSB-NSHGMRRFSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000665762457 974096856 /nfs/dbraw/zinc/09/68/56/974096856.db2.gz FCANHBFEYONPSB-FXAWDEMLSA-N 1 3 364.509 2.539 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000665762457 974096863 /nfs/dbraw/zinc/09/68/63/974096863.db2.gz FCANHBFEYONPSB-FXAWDEMLSA-N 1 3 364.509 2.539 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ccccc2F)CCC1 ZINC000665763491 974100208 /nfs/dbraw/zinc/10/02/08/974100208.db2.gz CBYSXEYLPBHOGA-INIZCTEOSA-N 1 3 364.509 2.776 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ccccc2F)CCC1 ZINC000665763491 974100213 /nfs/dbraw/zinc/10/02/13/974100213.db2.gz CBYSXEYLPBHOGA-INIZCTEOSA-N 1 3 364.509 2.776 20 0 FFADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345548 974941007 /nfs/dbraw/zinc/94/10/07/974941007.db2.gz DVUVMEFSCCBWEO-WWWUOXLMSA-N 1 3 371.525 2.571 20 0 FFADHO COCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529908 975367209 /nfs/dbraw/zinc/36/72/09/975367209.db2.gz VFDVHKMXPZJZTE-DYXWJJEUSA-N 1 3 365.562 2.506 20 0 FFADHO COCCOCCN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662259478 975388685 /nfs/dbraw/zinc/38/86/85/975388685.db2.gz YABVHKPUDBLQFD-UHFFFAOYSA-N 1 3 354.494 2.998 20 0 FFADHO COc1ccc(OCc2ccccn2)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666954611 975403489 /nfs/dbraw/zinc/40/34/89/975403489.db2.gz YUEDMPPYURPFRZ-FQEVSTJZSA-N 1 3 353.466 2.901 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1CNC2)Cc1ccccc1 ZINC000662379905 975464381 /nfs/dbraw/zinc/46/43/81/975464381.db2.gz FROCPKKCDYKKBJ-LJQANCHMSA-N 1 3 351.494 2.973 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cccs2)C1)N(C)C ZINC001112531576 975947180 /nfs/dbraw/zinc/94/71/80/975947180.db2.gz FZOQODMOELZZAI-QRFRQXIXSA-N 1 3 363.571 2.849 20 0 FFADHO Cc1ccc(-n2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n2)cc1 ZINC000667298165 976036320 /nfs/dbraw/zinc/03/63/20/976036320.db2.gz FFEHDTYFJGPVHG-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1ccc(-n2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n2)cc1 ZINC000667298165 976036334 /nfs/dbraw/zinc/03/63/34/976036334.db2.gz FFEHDTYFJGPVHG-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001087433266 976258173 /nfs/dbraw/zinc/25/81/73/976258173.db2.gz HJWKCAKVEXSUPY-NJYVYQBISA-N 1 3 355.526 2.855 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000663600831 976405609 /nfs/dbraw/zinc/40/56/09/976405609.db2.gz YMLVZVZZLZQLLH-PXNSSMCTSA-N 1 3 372.513 2.591 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000663600831 976405618 /nfs/dbraw/zinc/40/56/18/976405618.db2.gz YMLVZVZZLZQLLH-PXNSSMCTSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000663682653 976838399 /nfs/dbraw/zinc/83/83/99/976838399.db2.gz VFTFKJLKDFSORH-GOEBONIOSA-N 1 3 374.451 2.861 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000663682653 976838405 /nfs/dbraw/zinc/83/84/05/976838405.db2.gz VFTFKJLKDFSORH-GOEBONIOSA-N 1 3 374.451 2.861 20 0 FFADHO CCN(CC)[C@H](CNC(=O)/C=C/[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000876715972 1014360188 /nfs/dbraw/zinc/36/01/88/1014360188.db2.gz RTNWZFAYNXDIPB-QWUFOESZSA-N 1 3 359.514 2.750 20 0 FFADHO COc1cccc(C(=O)N2CCC(N3CCC([NH3+])(CC4CC4)CC3)CC2)c1 ZINC001167860284 976971509 /nfs/dbraw/zinc/97/15/09/976971509.db2.gz NHQCTRXSFJLWDO-UHFFFAOYSA-N 1 3 371.525 2.893 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000667792220 977036055 /nfs/dbraw/zinc/03/60/55/977036055.db2.gz QXGLCKLVYYOGBT-HXUWFJFHSA-N 1 3 367.497 2.932 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)c(C)c2)CC1 ZINC000876779604 1014390672 /nfs/dbraw/zinc/39/06/72/1014390672.db2.gz KOTDXMVYEIPWHE-CTNGQTDRSA-N 1 3 356.514 2.608 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894064284 977651944 /nfs/dbraw/zinc/65/19/44/977651944.db2.gz RSJOPGAJIMKKOB-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894064284 977651950 /nfs/dbraw/zinc/65/19/50/977651950.db2.gz RSJOPGAJIMKKOB-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)Oc1cccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001268541936 977952610 /nfs/dbraw/zinc/95/26/10/977952610.db2.gz KLCIGSUQJHBHFI-DEEXUGAQSA-N 1 3 359.514 2.576 20 0 FFADHO CC(C)Oc1cccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001268541936 977952619 /nfs/dbraw/zinc/95/26/19/977952619.db2.gz KLCIGSUQJHBHFI-DEEXUGAQSA-N 1 3 359.514 2.576 20 0 FFADHO C[C@H](c1ccc(F)cc1)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076203768 979219778 /nfs/dbraw/zinc/21/97/78/979219778.db2.gz CGSWMVGSULHPRP-MOXGXCLJSA-N 1 3 359.489 2.761 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000760175102 980180807 /nfs/dbraw/zinc/18/08/07/980180807.db2.gz LZTUQFMDDSEENW-UHFFFAOYSA-N 1 3 374.573 2.924 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cnn(Cc3ccccc3Cl)c1)CC2 ZINC000904392620 980262906 /nfs/dbraw/zinc/26/29/06/980262906.db2.gz VQDPSXZCBYMDKU-GOSISDBHSA-N 1 3 374.916 2.915 20 0 FFADHO OC1(CNCc2cc3cccnc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000666455745 980891745 /nfs/dbraw/zinc/89/17/45/980891745.db2.gz MDNNHUUBHMDTQH-UHFFFAOYSA-N 1 3 351.450 2.945 20 0 FFADHO OC1(C[NH2+]Cc2cc3cccnc3o2)CCN(Cc2ccccc2)CC1 ZINC000666455745 980891748 /nfs/dbraw/zinc/89/17/48/980891748.db2.gz MDNNHUUBHMDTQH-UHFFFAOYSA-N 1 3 351.450 2.945 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1CN1CCN(C)CC1)C2 ZINC001168235996 981124911 /nfs/dbraw/zinc/12/49/11/981124911.db2.gz PGJIOMPJCXJVNU-QFIPXVFZSA-N 1 3 365.521 2.700 20 0 FFADHO COc1ccccc1-n1nccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707498 1014747110 /nfs/dbraw/zinc/74/71/10/1014747110.db2.gz HINDYODVYRCZHV-FVJLSDCUSA-N 1 3 370.497 2.599 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C ZINC001088693066 982794624 /nfs/dbraw/zinc/79/46/24/982794624.db2.gz KCIYWIYDVBCYCJ-HLAWJBBLSA-N 1 3 357.542 2.929 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H]1C ZINC001088693066 982794628 /nfs/dbraw/zinc/79/46/28/982794628.db2.gz KCIYWIYDVBCYCJ-HLAWJBBLSA-N 1 3 357.542 2.929 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C ZINC001088693353 982798126 /nfs/dbraw/zinc/79/81/26/982798126.db2.gz WLFMJQBBKQHNCU-HOJAQTOUSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C ZINC001088693353 982798131 /nfs/dbraw/zinc/79/81/31/982798131.db2.gz WLFMJQBBKQHNCU-HOJAQTOUSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2OCCNC3)cc1 ZINC000911763264 983892188 /nfs/dbraw/zinc/89/21/88/983892188.db2.gz FXEMXOQFGWANQH-LJQANCHMSA-N 1 3 353.466 2.722 20 0 FFADHO C[C@@H]1CN(Cc2ccc(O)c(I)c2)CCC[C@@H]1C[NH3+] ZINC001206012933 1032107602 /nfs/dbraw/zinc/10/76/02/1032107602.db2.gz OILOYSRCUPIXEY-DGCLKSJQSA-N 1 3 374.266 2.804 20 0 FFADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000912813616 984125113 /nfs/dbraw/zinc/12/51/13/984125113.db2.gz LWNXIVKSTCOOEJ-GIVPXCGWSA-N 1 3 372.557 2.872 20 0 FFADHO Cc1ccncc1C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107437061 984537969 /nfs/dbraw/zinc/53/79/69/984537969.db2.gz ZQEPLEWXZFZTKS-TZIWHRDSSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ccncc1C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107437061 984537973 /nfs/dbraw/zinc/53/79/73/984537973.db2.gz ZQEPLEWXZFZTKS-TZIWHRDSSA-N 1 3 370.541 2.735 20 0 FFADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)n(C)c1C ZINC000382273467 984554708 /nfs/dbraw/zinc/55/47/08/984554708.db2.gz BZRWTBWZCWLQQF-SFHVURJKSA-N 1 3 355.482 2.732 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@H]1CCCO1)CC2 ZINC001107454911 984560459 /nfs/dbraw/zinc/56/04/59/984560459.db2.gz PVAFTXWGTASZPL-DBXWQHBBSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@H]1CCCO1)CC2 ZINC001107454911 984560463 /nfs/dbraw/zinc/56/04/63/984560463.db2.gz PVAFTXWGTASZPL-DBXWQHBBSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)CN4CC[C@@H](C)C4)CCC[C@@H]23)c1 ZINC001107546869 984672686 /nfs/dbraw/zinc/67/26/86/984672686.db2.gz ROFNKBRIXZFRAA-NQSCKRDGSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)CN4CC[C@@H](C)C4)CCC[C@@H]23)c1 ZINC001107546869 984672692 /nfs/dbraw/zinc/67/26/92/984672692.db2.gz ROFNKBRIXZFRAA-NQSCKRDGSA-N 1 3 370.541 2.593 20 0 FFADHO CC[C@H](C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12)OC ZINC001107552842 984683219 /nfs/dbraw/zinc/68/32/19/984683219.db2.gz UTYAEVZBYCWCPL-DBXWQHBBSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@H](C[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12)OC ZINC001107552842 984683221 /nfs/dbraw/zinc/68/32/21/984683221.db2.gz UTYAEVZBYCWCPL-DBXWQHBBSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1scnc1C)CC2 ZINC001107582961 984734671 /nfs/dbraw/zinc/73/46/71/984734671.db2.gz IILBQKRJLMIUHK-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1scnc1C)CC2 ZINC001107582961 984734676 /nfs/dbraw/zinc/73/46/76/984734676.db2.gz IILBQKRJLMIUHK-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114241 984749277 /nfs/dbraw/zinc/74/92/77/984749277.db2.gz GXZADUHOXWBWGS-BZUAXINKSA-N 1 3 363.468 2.742 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](OCC)C1CC1)CC2 ZINC001107617308 984841584 /nfs/dbraw/zinc/84/15/84/984841584.db2.gz DNQAPAGQZAPWPZ-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](OCC)C1CC1)CC2 ZINC001107617308 984841595 /nfs/dbraw/zinc/84/15/95/984841595.db2.gz DNQAPAGQZAPWPZ-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO O=C(N[C@]12CCC[C@H]1CN(Cc1ccc(F)cc1)C2)[C@H]1C[NH+]2CCC1CC2 ZINC001098841340 985289833 /nfs/dbraw/zinc/28/98/33/985289833.db2.gz IKSMQFSWYXPOOA-VCOUNFBDSA-N 1 3 371.500 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CN(CC3CCCCC3)CCO2)CC[N@@H+]1C ZINC001107953300 985403680 /nfs/dbraw/zinc/40/36/80/985403680.db2.gz XUILHMYBGNUDQN-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CN(CC3CCCCC3)CCO2)CC[N@H+]1C ZINC001107953300 985403685 /nfs/dbraw/zinc/40/36/85/985403685.db2.gz XUILHMYBGNUDQN-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401299 986118949 /nfs/dbraw/zinc/11/89/49/986118949.db2.gz KXMBFGNLQHBCJB-UOETZDLVSA-N 1 3 365.562 2.526 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401299 986118953 /nfs/dbraw/zinc/11/89/53/986118953.db2.gz KXMBFGNLQHBCJB-UOETZDLVSA-N 1 3 365.562 2.526 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001089061135 986145361 /nfs/dbraw/zinc/14/53/61/986145361.db2.gz ZEIXJIJMEBRNFE-KDOFPFPSSA-N 1 3 365.468 2.986 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CC1CC(F)(F)C1 ZINC001089061135 986145373 /nfs/dbraw/zinc/14/53/73/986145373.db2.gz ZEIXJIJMEBRNFE-KDOFPFPSSA-N 1 3 365.468 2.986 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cc4ccccc4o3)C2)CC[N@@H+]1C ZINC000999188826 986382899 /nfs/dbraw/zinc/38/28/99/986382899.db2.gz DLMWLAPWOVULAX-HHXXYDBFSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cc4ccccc4o3)C2)CC[N@H+]1C ZINC000999188826 986382906 /nfs/dbraw/zinc/38/29/06/986382906.db2.gz DLMWLAPWOVULAX-HHXXYDBFSA-N 1 3 355.482 2.854 20 0 FFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542150 986510682 /nfs/dbraw/zinc/51/06/82/986510682.db2.gz YEVXSWIDVINELQ-WOJBJXKFSA-N 1 3 358.530 2.852 20 0 FFADHO C[C@H](NCc1cnn(CCF)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921689313 986693497 /nfs/dbraw/zinc/69/34/97/986693497.db2.gz DZYXLNLDYHBTDG-HNNXBMFYSA-N 1 3 363.456 2.594 20 0 FFADHO COc1ccc([C@H]2C[C@H](N3CCN(CC[NH+]4CCCC4)CC3)CCO2)cc1 ZINC001168664650 986965116 /nfs/dbraw/zinc/96/51/16/986965116.db2.gz IRQXSQBLESAQMN-IFMALSPDSA-N 1 3 373.541 2.629 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106198949 987628254 /nfs/dbraw/zinc/62/82/54/987628254.db2.gz UDBINJQZBYPUKG-CSFKKDGTSA-N 1 3 368.324 2.669 20 0 FFADHO Cc1ccccc1CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249460 987756418 /nfs/dbraw/zinc/75/64/18/987756418.db2.gz IIDOPZXFXGVVJS-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495709 987765894 /nfs/dbraw/zinc/76/58/94/987765894.db2.gz OGFRWYOQIJGSBT-JNVNVXKGSA-N 1 3 365.562 2.811 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495709 987765899 /nfs/dbraw/zinc/76/58/99/987765899.db2.gz OGFRWYOQIJGSBT-JNVNVXKGSA-N 1 3 365.562 2.811 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC001106339837 987981765 /nfs/dbraw/zinc/98/17/65/987981765.db2.gz BXAMKVUJWKWXAR-BZUAXINKSA-N 1 3 359.505 2.836 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccccc2C)CC1 ZINC000915122179 988232649 /nfs/dbraw/zinc/23/26/49/988232649.db2.gz JRFOBZAPKXIJTL-FQEVSTJZSA-N 1 3 374.598 2.862 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccccc2C)CC1 ZINC000915122179 988232663 /nfs/dbraw/zinc/23/26/63/988232663.db2.gz JRFOBZAPKXIJTL-FQEVSTJZSA-N 1 3 374.598 2.862 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)[C@H]1C(C)C ZINC000922394942 988544040 /nfs/dbraw/zinc/54/40/40/988544040.db2.gz ZFBFGDDLHQFAPZ-YHBROIRLSA-N 1 3 374.525 2.807 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)[C@H]1C(C)C ZINC000922394942 988544051 /nfs/dbraw/zinc/54/40/51/988544051.db2.gz ZFBFGDDLHQFAPZ-YHBROIRLSA-N 1 3 374.525 2.807 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1 ZINC001106663070 988598488 /nfs/dbraw/zinc/59/84/88/988598488.db2.gz QGGJAJSJLRDBPL-DWOUUOELSA-N 1 3 355.526 2.868 20 0 FFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666018 988609123 /nfs/dbraw/zinc/60/91/23/988609123.db2.gz FCRQPWSEUPMSIV-HLIPFELVSA-N 1 3 355.542 2.929 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOC(C)C)[C@H](C)C1 ZINC001106775483 989017727 /nfs/dbraw/zinc/01/77/27/989017727.db2.gz KDFVMOMHDCGRNF-RTBURBONSA-N 1 3 355.567 2.608 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC001106784106 989044488 /nfs/dbraw/zinc/04/44/88/989044488.db2.gz BKTWSVRRDMIARW-ZIFCJYIRSA-N 1 3 361.530 2.782 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC001106785194 989064064 /nfs/dbraw/zinc/06/40/64/989064064.db2.gz ZRCUQLWPYCPOQW-KFWWJZLASA-N 1 3 364.361 2.596 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000262542921 989336001 /nfs/dbraw/zinc/33/60/01/989336001.db2.gz RJEWKLISZGNMTD-IDHHARJASA-N 1 3 365.468 2.791 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C2 ZINC000652127774 1015471920 /nfs/dbraw/zinc/47/19/20/1015471920.db2.gz BRXPBGORUHHYRA-ZJOUEHCJSA-N 1 3 356.514 2.594 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085196715 989905757 /nfs/dbraw/zinc/90/57/57/989905757.db2.gz KWLOZBJKFMOVPZ-QRVBRYPASA-N 1 3 362.518 2.681 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085196715 989905763 /nfs/dbraw/zinc/90/57/63/989905763.db2.gz KWLOZBJKFMOVPZ-QRVBRYPASA-N 1 3 362.518 2.681 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346002 1015531994 /nfs/dbraw/zinc/53/19/94/1015531994.db2.gz QRZYXUNITVDUOG-PAPWGAKMSA-N 1 3 365.562 2.534 20 0 FFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345512 1015532587 /nfs/dbraw/zinc/53/25/87/1015532587.db2.gz DCIGLUFCPLMOCN-PWRODBHTSA-N 1 3 373.541 2.642 20 0 FFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345511 1015532689 /nfs/dbraw/zinc/53/26/89/1015532689.db2.gz DCIGLUFCPLMOCN-PCCBWWKXSA-N 1 3 373.541 2.642 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000652361499 1015542228 /nfs/dbraw/zinc/54/22/28/1015542228.db2.gz JEFARFFVGPKZSD-GIVPXCGWSA-N 1 3 371.525 2.538 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3cccnc3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089388626 990259504 /nfs/dbraw/zinc/25/95/04/990259504.db2.gz FNNVZQJXFKZEKR-BHIYHBOVSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3cccnc3)CC(C)(C)C2)CC[N@H+]1C ZINC001089388626 990259509 /nfs/dbraw/zinc/25/95/09/990259509.db2.gz FNNVZQJXFKZEKR-BHIYHBOVSA-N 1 3 358.530 2.529 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000675532368 990297952 /nfs/dbraw/zinc/29/79/52/990297952.db2.gz GEPOMEQEPRWFGU-DFQSSKMNSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000675532368 990297956 /nfs/dbraw/zinc/29/79/56/990297956.db2.gz GEPOMEQEPRWFGU-DFQSSKMNSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000918119794 990338891 /nfs/dbraw/zinc/33/88/91/990338891.db2.gz DALXHMCKGWJESU-QGZVFWFLSA-N 1 3 362.518 2.760 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000675742832 990369048 /nfs/dbraw/zinc/36/90/48/990369048.db2.gz WZUALQYEURECQQ-FPOVZHCZSA-N 1 3 358.574 2.655 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922950943 990764440 /nfs/dbraw/zinc/76/44/40/990764440.db2.gz RRMYMBIHKZFTCJ-NRFANRHFSA-N 1 3 359.558 2.988 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000921274220 991028717 /nfs/dbraw/zinc/02/87/17/991028717.db2.gz QAGBZCOVZVNWBU-UXHICEINSA-N 1 3 374.598 2.990 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000921274220 991028719 /nfs/dbraw/zinc/02/87/19/991028719.db2.gz QAGBZCOVZVNWBU-UXHICEINSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000135029765 991137863 /nfs/dbraw/zinc/13/78/63/991137863.db2.gz LMTIYQSDNZWNAS-KDURUIRLSA-N 1 3 373.541 2.861 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1 ZINC001106910827 991533763 /nfs/dbraw/zinc/53/37/63/991533763.db2.gz QMGMRGOPDJLHNU-NVXWUHKLSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1 ZINC001106911004 991540127 /nfs/dbraw/zinc/54/01/27/991540127.db2.gz ZYHSJZVTJADDSX-SJLPKXTDSA-N 1 3 351.560 2.707 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1c1cccc(F)c1 ZINC001079183503 991891690 /nfs/dbraw/zinc/89/16/90/991891690.db2.gz GBNGZSVJJMKECZ-RBUKOAKNSA-N 1 3 361.505 2.994 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723585 992362360 /nfs/dbraw/zinc/36/23/60/992362360.db2.gz AHBZYSMVTKPSNO-HNBVOPMISA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723585 992362370 /nfs/dbraw/zinc/36/23/70/992362370.db2.gz AHBZYSMVTKPSNO-HNBVOPMISA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726123 992364260 /nfs/dbraw/zinc/36/42/60/992364260.db2.gz CSJLEPIZYVFADK-DTTOXWODSA-N 1 3 365.468 2.901 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726123 992364270 /nfs/dbraw/zinc/36/42/70/992364270.db2.gz CSJLEPIZYVFADK-DTTOXWODSA-N 1 3 365.468 2.901 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377501 992994454 /nfs/dbraw/zinc/99/44/54/992994454.db2.gz UPAUDLGERYWQJT-DNVCBOLYSA-N 1 3 355.482 2.711 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001152206769 1032126204 /nfs/dbraw/zinc/12/62/04/1032126204.db2.gz RMTYQDQPDCXLHV-CEXWTWQISA-N 1 3 352.482 2.678 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001152206769 1032126209 /nfs/dbraw/zinc/12/62/09/1032126209.db2.gz RMTYQDQPDCXLHV-CEXWTWQISA-N 1 3 352.482 2.678 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1)C1CCC1 ZINC001081125613 993652581 /nfs/dbraw/zinc/65/25/81/993652581.db2.gz JBAGNPYRUVJJPQ-LEWJYISDSA-N 1 3 355.526 2.855 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001131562011 994397003 /nfs/dbraw/zinc/39/70/03/994397003.db2.gz KBSZFLKOBTWLQB-QFUCXCTJSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC)CC1 ZINC001131577911 994415182 /nfs/dbraw/zinc/41/51/82/994415182.db2.gz IKDSKZDDCWLNEB-QUCCMNQESA-N 1 3 353.551 2.504 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604743 994437320 /nfs/dbraw/zinc/43/73/20/994437320.db2.gz DZLDWDOJUBHESD-CTNGQTDRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082520519 994812277 /nfs/dbraw/zinc/81/22/77/994812277.db2.gz BYPVCRLBYIXSJI-ZHCAMHROSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082520519 994812289 /nfs/dbraw/zinc/81/22/89/994812289.db2.gz BYPVCRLBYIXSJI-ZHCAMHROSA-N 1 3 367.896 2.756 20 0 FFADHO CCC[NH+]1CCC(Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1 ZINC000679144510 1015896980 /nfs/dbraw/zinc/89/69/80/1015896980.db2.gz YCTHHVWMEZNJBN-UHFFFAOYSA-N 1 3 371.529 2.724 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001082557555 994927917 /nfs/dbraw/zinc/92/79/17/994927917.db2.gz NLKQLTOGNJHWJS-YLJYHZDGSA-N 1 3 357.542 2.712 20 0 FFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001082561786 994944219 /nfs/dbraw/zinc/94/42/19/994944219.db2.gz QDRIDCCXRPJGKO-JXXFODFXSA-N 1 3 359.514 2.677 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCc1cccc(Cl)n1 ZINC001082570475 994967344 /nfs/dbraw/zinc/96/73/44/994967344.db2.gz NGUHJQVIFNZLCM-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCc1cccc(Cl)n1 ZINC001082570475 994967357 /nfs/dbraw/zinc/96/73/57/994967357.db2.gz NGUHJQVIFNZLCM-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)c1 ZINC001082617275 995082613 /nfs/dbraw/zinc/08/26/13/995082613.db2.gz HONSXRPHLVLICB-VQIMIIECSA-N 1 3 359.489 2.699 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495864 1015932760 /nfs/dbraw/zinc/93/27/60/1015932760.db2.gz APKSXKDURVUUHN-FHLIZLRMSA-N 1 3 369.513 2.733 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1)N(C)C ZINC001082748360 995306902 /nfs/dbraw/zinc/30/69/02/995306902.db2.gz IQPWDVAOTLIEHL-XYPHTWIQSA-N 1 3 371.447 2.982 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001082741403 995394855 /nfs/dbraw/zinc/39/48/55/995394855.db2.gz ZZGJHUJJRJDIBR-HBUWYVDXSA-N 1 3 367.896 2.900 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000676760633 1015976164 /nfs/dbraw/zinc/97/61/64/1015976164.db2.gz KLNBFSAQBBDHLJ-SYYJFZTOSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cccc(Cl)c1Cl ZINC001082920857 995827774 /nfs/dbraw/zinc/82/77/74/995827774.db2.gz IYSMSWWWIMDKTN-XNRPHZJLSA-N 1 3 370.324 2.882 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cccc(Cl)c1Cl ZINC001082920857 995827779 /nfs/dbraw/zinc/82/77/79/995827779.db2.gz IYSMSWWWIMDKTN-XNRPHZJLSA-N 1 3 370.324 2.882 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1)[NH+]1CCCCC1 ZINC001082944019 995882380 /nfs/dbraw/zinc/88/23/80/995882380.db2.gz ZFOWLRAERAJOSX-NXHRZFHOSA-N 1 3 364.559 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2cnccc2C)CC[N@@H+]1C ZINC001049479527 1016003802 /nfs/dbraw/zinc/00/38/02/1016003802.db2.gz AJPMJXQGXXJBBF-DOIPELPJSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2cnccc2C)CC[N@H+]1C ZINC001049479527 1016003812 /nfs/dbraw/zinc/00/38/12/1016003812.db2.gz AJPMJXQGXXJBBF-DOIPELPJSA-N 1 3 370.541 2.686 20 0 FFADHO CC1(C)CC(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N4CCCC4)[C@@H]3C2)C1 ZINC001084545291 996665674 /nfs/dbraw/zinc/66/56/74/996665674.db2.gz CTKCJRRGFNFNDN-VAMGGRTRSA-N 1 3 359.558 2.830 20 0 FFADHO CC1(C)CC(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N4CCCC4)[C@@H]3C2)C1 ZINC001084545291 996665678 /nfs/dbraw/zinc/66/56/78/996665678.db2.gz CTKCJRRGFNFNDN-VAMGGRTRSA-N 1 3 359.558 2.830 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001116122490 1032138838 /nfs/dbraw/zinc/13/88/38/1032138838.db2.gz YOSSLBDTVWZKTD-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001116122490 1032138847 /nfs/dbraw/zinc/13/88/47/1032138847.db2.gz YOSSLBDTVWZKTD-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H](N[C@@H]2CCc3cc(Cl)ccc3C2)[C@@H]([NH3+])C1 ZINC001171099721 997636868 /nfs/dbraw/zinc/63/68/68/997636868.db2.gz KPMRFVPVIXHGDO-IXDOHACOSA-N 1 3 365.905 2.734 20 0 FFADHO CC1CC(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccc4CN(C)C)[C@@H]3C2)C1 ZINC001084852416 997649947 /nfs/dbraw/zinc/64/99/47/997649947.db2.gz YNCHRZZILARGHT-QIBIFGARSA-N 1 3 355.526 2.941 20 0 FFADHO CC1CC(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccccc4CN(C)C)[C@@H]3C2)C1 ZINC001084852416 997649951 /nfs/dbraw/zinc/64/99/51/997649951.db2.gz YNCHRZZILARGHT-QIBIFGARSA-N 1 3 355.526 2.941 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844223717 997713034 /nfs/dbraw/zinc/71/30/34/997713034.db2.gz AJFXXARVNKIKCS-MOPGFXCFSA-N 1 3 370.541 2.937 20 0 FFADHO Cc1ccc(C(=O)C2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c(C)c1 ZINC000903722273 1016154592 /nfs/dbraw/zinc/15/45/92/1016154592.db2.gz JYWPZKQTXDNQMP-SIKLNZKXSA-N 1 3 356.510 2.967 20 0 FFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001084941666 998248207 /nfs/dbraw/zinc/24/82/07/998248207.db2.gz WFFKNLXQTLJNMV-GIVPXCGWSA-N 1 3 371.500 2.590 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001084963165 998376677 /nfs/dbraw/zinc/37/66/77/998376677.db2.gz CFKCTAIZNKQNGW-OAGGEKHMSA-N 1 3 361.452 2.736 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001084963165 998376685 /nfs/dbraw/zinc/37/66/85/998376685.db2.gz CFKCTAIZNKQNGW-OAGGEKHMSA-N 1 3 361.452 2.736 20 0 FFADHO Cc1ccc2ncc(CN3CCC(COCC[NH+]4CCCC4)CC3)n2c1 ZINC001137303627 1016241322 /nfs/dbraw/zinc/24/13/22/1016241322.db2.gz JGCOLSCRYKRHMJ-UHFFFAOYSA-N 1 3 356.514 2.967 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001085332579 999379054 /nfs/dbraw/zinc/37/90/54/999379054.db2.gz DFWCPIAVMAAUHM-DJIMGWMZSA-N 1 3 364.921 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC001085605875 999587256 /nfs/dbraw/zinc/58/72/56/999587256.db2.gz WDQMNSXQNPTVIC-HYVNUMGLSA-N 1 3 357.489 2.685 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC001085605875 999587258 /nfs/dbraw/zinc/58/72/58/999587258.db2.gz WDQMNSXQNPTVIC-HYVNUMGLSA-N 1 3 357.489 2.685 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@@H]2CCCO2)c1 ZINC001096604724 1016340207 /nfs/dbraw/zinc/34/02/07/1016340207.db2.gz NXRQXDUUPDOMHY-ANULTFPQSA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@@H]2CCCO2)c1 ZINC001096604724 1016340217 /nfs/dbraw/zinc/34/02/17/1016340217.db2.gz NXRQXDUUPDOMHY-ANULTFPQSA-N 1 3 371.525 2.652 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000741487334 999729419 /nfs/dbraw/zinc/72/94/19/999729419.db2.gz KBNUHWKSUXZYLB-FXAWDEMLSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741487334 999729421 /nfs/dbraw/zinc/72/94/21/999729421.db2.gz KBNUHWKSUXZYLB-FXAWDEMLSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=S)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000737458340 999751078 /nfs/dbraw/zinc/75/10/78/999751078.db2.gz QLZSGSQXIVXZGJ-PXNSSMCTSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=S)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000737458340 999751080 /nfs/dbraw/zinc/75/10/80/999751080.db2.gz QLZSGSQXIVXZGJ-PXNSSMCTSA-N 1 3 374.598 2.940 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cnc(Cl)s3)C2)CC[N@@H+]1C ZINC001086089901 999758479 /nfs/dbraw/zinc/75/84/79/999758479.db2.gz WPUSZFHOWGXFRV-MYZSUADSSA-N 1 3 370.950 2.511 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cnc(Cl)s3)C2)CC[N@H+]1C ZINC001086089901 999758480 /nfs/dbraw/zinc/75/84/80/999758480.db2.gz WPUSZFHOWGXFRV-MYZSUADSSA-N 1 3 370.950 2.511 20 0 FFADHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1OC(C)C ZINC000903980116 1016356566 /nfs/dbraw/zinc/35/65/66/1016356566.db2.gz IDTFNOBBGHEHBI-BGYRXZFFSA-N 1 3 373.541 2.883 20 0 FFADHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1OC(C)C ZINC000903980116 1016356576 /nfs/dbraw/zinc/35/65/76/1016356576.db2.gz IDTFNOBBGHEHBI-BGYRXZFFSA-N 1 3 373.541 2.883 20 0 FFADHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1OC(C)C ZINC000903980116 1016356587 /nfs/dbraw/zinc/35/65/87/1016356587.db2.gz IDTFNOBBGHEHBI-BGYRXZFFSA-N 1 3 373.541 2.883 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000746138997 999951558 /nfs/dbraw/zinc/95/15/58/999951558.db2.gz LZIJWTUWGXRMHP-IRXDYDNUSA-N 1 3 359.514 2.649 20 0 FFADHO C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@H](N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000746305982 999958012 /nfs/dbraw/zinc/95/80/12/999958012.db2.gz FEKGXBILFLKKNC-XGHQBKJUSA-N 1 3 367.493 2.612 20 0 FFADHO C[C@H]1CN(Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000746305982 999958014 /nfs/dbraw/zinc/95/80/14/999958014.db2.gz FEKGXBILFLKKNC-XGHQBKJUSA-N 1 3 367.493 2.612 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]C3CC(C)(C)N(O)C(C)(C)C3)c2)CC1 ZINC001169973938 1000139450 /nfs/dbraw/zinc/13/94/50/1000139450.db2.gz WZXLFZMFJUGXBE-UHFFFAOYSA-N 1 3 374.573 2.934 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)cc1CN1CCCCC1 ZINC000846192825 1000226983 /nfs/dbraw/zinc/22/69/83/1000226983.db2.gz JWMQKPACUHPQSW-LAUBAEHRSA-N 1 3 362.514 2.873 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC001144808219 1000298634 /nfs/dbraw/zinc/29/86/34/1000298634.db2.gz PCNSQMVEFBWZBX-QHAWAJNXSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC001144808219 1000298638 /nfs/dbraw/zinc/29/86/38/1000298638.db2.gz PCNSQMVEFBWZBX-QHAWAJNXSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109473801 1000519746 /nfs/dbraw/zinc/51/97/46/1000519746.db2.gz GGQZLYNFKZOZDX-FYQPLNBISA-N 1 3 365.562 2.643 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109473801 1000519753 /nfs/dbraw/zinc/51/97/53/1000519753.db2.gz GGQZLYNFKZOZDX-FYQPLNBISA-N 1 3 365.562 2.643 20 0 FFADHO COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001109636461 1000761761 /nfs/dbraw/zinc/76/17/61/1000761761.db2.gz FXOUIHJZFGFICX-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO COCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001109636461 1000761764 /nfs/dbraw/zinc/76/17/64/1000761764.db2.gz FXOUIHJZFGFICX-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001109636461 1000761770 /nfs/dbraw/zinc/76/17/70/1000761770.db2.gz FXOUIHJZFGFICX-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO COCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001109636461 1000761776 /nfs/dbraw/zinc/76/17/76/1000761776.db2.gz FXOUIHJZFGFICX-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001091673086 1001034635 /nfs/dbraw/zinc/03/46/35/1001034635.db2.gz YOSWRVSRASFZDS-WHJOBHEISA-N 1 3 353.938 2.784 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)cc1 ZINC001091735045 1001171326 /nfs/dbraw/zinc/17/13/26/1001171326.db2.gz GFSROHZMVIASNZ-IRLDBZIGSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)cc1 ZINC001091735045 1001171329 /nfs/dbraw/zinc/17/13/29/1001171329.db2.gz GFSROHZMVIASNZ-IRLDBZIGSA-N 1 3 369.553 2.802 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737177 1001182401 /nfs/dbraw/zinc/18/24/01/1001182401.db2.gz CVHPGBMPOFARJV-XPNTWCBSSA-N 1 3 369.553 2.740 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737177 1001182404 /nfs/dbraw/zinc/18/24/04/1001182404.db2.gz CVHPGBMPOFARJV-XPNTWCBSSA-N 1 3 369.553 2.740 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1)C1CCC1 ZINC001091741011 1001188237 /nfs/dbraw/zinc/18/82/37/1001188237.db2.gz WCEYMBDZTURIIN-FCEWJHQRSA-N 1 3 369.500 2.686 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1)C1CCC1 ZINC001091741011 1001188242 /nfs/dbraw/zinc/18/82/42/1001188242.db2.gz WCEYMBDZTURIIN-FCEWJHQRSA-N 1 3 369.500 2.686 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCC(C)C)C1 ZINC001112568472 1001494271 /nfs/dbraw/zinc/49/42/71/1001494271.db2.gz SKNXQOLYNHXTCT-FPOVZHCZSA-N 1 3 367.578 2.609 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2F)C1 ZINC001112567562 1001498296 /nfs/dbraw/zinc/49/82/96/1001498296.db2.gz WUKKOVBSDKVXAU-RXVVDRJESA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@]2(C)C1)[NH+](C)C ZINC001091985085 1002179796 /nfs/dbraw/zinc/17/97/96/1002179796.db2.gz HCCHDESZOPKJRE-QFUCXCTJSA-N 1 3 361.505 2.692 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1 ZINC001092011200 1002279769 /nfs/dbraw/zinc/27/97/69/1002279769.db2.gz SORIIVOQLQWEEI-QFUCXCTJSA-N 1 3 359.558 2.831 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1 ZINC001092011200 1002279774 /nfs/dbraw/zinc/27/97/74/1002279774.db2.gz SORIIVOQLQWEEI-QFUCXCTJSA-N 1 3 359.558 2.831 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013666 1002286971 /nfs/dbraw/zinc/28/69/71/1002286971.db2.gz WGUADMVLFNHSLW-AAIMPIBUSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013666 1002286978 /nfs/dbraw/zinc/28/69/78/1002286978.db2.gz WGUADMVLFNHSLW-AAIMPIBUSA-N 1 3 369.553 2.871 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001092021621 1002299011 /nfs/dbraw/zinc/29/90/11/1002299011.db2.gz FDKMWZHWPJDQPH-URVUXULASA-N 1 3 357.542 2.740 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001092021621 1002299021 /nfs/dbraw/zinc/29/90/21/1002299021.db2.gz FDKMWZHWPJDQPH-URVUXULASA-N 1 3 357.542 2.740 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@]3(C)C2)cc1 ZINC001092022551 1002301460 /nfs/dbraw/zinc/30/14/60/1002301460.db2.gz YDPWPJPLHISZTR-GIWBLDEGSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@]3(C)C2)cc1 ZINC001092022551 1002301468 /nfs/dbraw/zinc/30/14/68/1002301468.db2.gz YDPWPJPLHISZTR-GIWBLDEGSA-N 1 3 371.569 2.912 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC001092187813 1002480240 /nfs/dbraw/zinc/48/02/40/1002480240.db2.gz ACHJJKMZNPMTCO-DYXWJJEUSA-N 1 3 365.537 2.637 20 0 FFADHO COC(=O)c1sccc1C[NH2+]CCc1ccc(N2CCN(C)CC2)cc1 ZINC001184419338 1002610085 /nfs/dbraw/zinc/61/00/85/1002610085.db2.gz ZPUKETBPLZZGGV-UHFFFAOYSA-N 1 3 373.522 2.619 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC001092299555 1002625889 /nfs/dbraw/zinc/62/58/89/1002625889.db2.gz BCEJJPOKODEUJJ-ZODOCNFASA-N 1 3 361.917 2.895 20 0 FFADHO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001170215254 1003048054 /nfs/dbraw/zinc/04/80/54/1003048054.db2.gz ANKRVTAJMAMLNY-LEWJYISDSA-N 1 3 373.541 2.954 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C)CC[N@@H+]1C ZINC001092620434 1003318391 /nfs/dbraw/zinc/31/83/91/1003318391.db2.gz HSKJQFGUHBXZNW-FXRXJOCMSA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C)CC[N@H+]1C ZINC001092620434 1003318402 /nfs/dbraw/zinc/31/84/02/1003318402.db2.gz HSKJQFGUHBXZNW-FXRXJOCMSA-N 1 3 363.933 2.864 20 0 FFADHO CC[C@H](Cc1ccc2c(c1)OCO2)N(CCC[NH+](C)C)CCC(=O)OC ZINC001170444459 1003584499 /nfs/dbraw/zinc/58/44/99/1003584499.db2.gz SYWHZAKOEJPEFG-QGZVFWFLSA-N 1 3 364.486 2.553 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197221881 1004130152 /nfs/dbraw/zinc/13/01/52/1004130152.db2.gz VCJNNVGTRYOCHC-JXFKEZNVSA-N 1 3 371.566 2.562 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197221881 1004130157 /nfs/dbraw/zinc/13/01/57/1004130157.db2.gz VCJNNVGTRYOCHC-JXFKEZNVSA-N 1 3 371.566 2.562 20 0 FFADHO COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001095626803 1016886594 /nfs/dbraw/zinc/88/65/94/1016886594.db2.gz XXZBTGITRSFFOL-FUMNGEBKSA-N 1 3 371.525 2.709 20 0 FFADHO COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001095626803 1016886607 /nfs/dbraw/zinc/88/66/07/1016886607.db2.gz XXZBTGITRSFFOL-FUMNGEBKSA-N 1 3 371.525 2.709 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC001201415244 1005211183 /nfs/dbraw/zinc/21/11/83/1005211183.db2.gz BDDUVVODKMPDTI-HGSOSGBHSA-N 1 3 371.569 2.864 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)CC[C@@H]2C1 ZINC001489207726 1005432927 /nfs/dbraw/zinc/43/29/27/1005432927.db2.gz YMIRSCGCEAXHLI-SQNIBIBYSA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)CC[C@@H]2C1 ZINC001489207726 1005432928 /nfs/dbraw/zinc/43/29/28/1005432928.db2.gz YMIRSCGCEAXHLI-SQNIBIBYSA-N 1 3 371.516 2.934 20 0 FFADHO CCOCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357275 1005810988 /nfs/dbraw/zinc/81/09/88/1005810988.db2.gz DAOZHAYNAIEUDH-NRFANRHFSA-N 1 3 370.493 2.916 20 0 FFADHO CCOCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357275 1005810991 /nfs/dbraw/zinc/81/09/91/1005810991.db2.gz DAOZHAYNAIEUDH-NRFANRHFSA-N 1 3 370.493 2.916 20 0 FFADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433964 1005815449 /nfs/dbraw/zinc/81/54/49/1005815449.db2.gz SCNLAVGZVNKBCB-RHSMWYFYSA-N 1 3 369.431 2.954 20 0 FFADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433964 1005815451 /nfs/dbraw/zinc/81/54/51/1005815451.db2.gz SCNLAVGZVNKBCB-RHSMWYFYSA-N 1 3 369.431 2.954 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC001086712075 1005958534 /nfs/dbraw/zinc/95/85/34/1005958534.db2.gz OKSFWKPTCWCTDI-BBWFWOEESA-N 1 3 364.559 2.700 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC001086712075 1005958536 /nfs/dbraw/zinc/95/85/36/1005958536.db2.gz OKSFWKPTCWCTDI-BBWFWOEESA-N 1 3 364.559 2.700 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001086712130 1005958934 /nfs/dbraw/zinc/95/89/34/1005958934.db2.gz QNUNLHNYLRVONG-ZCNNSNEGSA-N 1 3 365.562 2.552 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC001086712254 1005967666 /nfs/dbraw/zinc/96/76/66/1005967666.db2.gz XJFGTJMBQPRYFT-DFQSSKMNSA-N 1 3 358.530 2.639 20 0 FFADHO c1cc2c(nc1N[C@H]1CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC1)NCCO2 ZINC001170719604 1006101845 /nfs/dbraw/zinc/10/18/45/1006101845.db2.gz UTOHITLALHWROC-IYARVYRRSA-N 1 3 371.529 2.637 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(NC4CC4)CCC3)cc2)CC1 ZINC000852887069 1006221386 /nfs/dbraw/zinc/22/13/86/1006221386.db2.gz DUVVOMZBNVUCKG-UHFFFAOYSA-N 1 3 356.514 2.830 20 0 FFADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000776628257 1006226146 /nfs/dbraw/zinc/22/61/46/1006226146.db2.gz ORABIABGCMSBSW-FMIVXFBMSA-N 1 3 371.525 2.727 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001097100103 1017035778 /nfs/dbraw/zinc/03/57/78/1017035778.db2.gz GOQFDXYUAIKFGA-MLZLACJZSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001097100103 1017035788 /nfs/dbraw/zinc/03/57/88/1017035788.db2.gz GOQFDXYUAIKFGA-MLZLACJZSA-N 1 3 355.526 2.865 20 0 FFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCOC1 ZINC000882460183 1006405684 /nfs/dbraw/zinc/40/56/84/1006405684.db2.gz CRXHTZOPRXNRDJ-UYAOXDASSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc2ccccc2c1 ZINC000853684505 1006504268 /nfs/dbraw/zinc/50/42/68/1006504268.db2.gz SZQCRWLINUYLHA-KRWDZBQOSA-N 1 3 356.514 2.911 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc2ccccc2c1 ZINC000853684505 1006504278 /nfs/dbraw/zinc/50/42/78/1006504278.db2.gz SZQCRWLINUYLHA-KRWDZBQOSA-N 1 3 356.514 2.911 20 0 FFADHO Cn1cc(-c2ccnc(C3CC[NH+](CCCN4CCCCC4)CC3)n2)cn1 ZINC000854102818 1006681396 /nfs/dbraw/zinc/68/13/96/1006681396.db2.gz ZLYNUOKGAIXDBR-UHFFFAOYSA-N 1 3 368.529 2.933 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(F)cc3C)C[C@H]21 ZINC001189912568 1007347519 /nfs/dbraw/zinc/34/75/19/1007347519.db2.gz AYEKSYKHNSFBHF-AZUAARDMSA-N 1 3 361.505 2.899 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(F)cc3C)C[C@H]21 ZINC001189912568 1007347534 /nfs/dbraw/zinc/34/75/34/1007347534.db2.gz AYEKSYKHNSFBHF-AZUAARDMSA-N 1 3 361.505 2.899 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001116257313 1032221353 /nfs/dbraw/zinc/22/13/53/1032221353.db2.gz MXNSENVMMHYJDS-BTHPGYMESA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCC[NH2+]1 ZINC000817949364 1007822429 /nfs/dbraw/zinc/82/24/29/1007822429.db2.gz JVKVMAOLXZFDQE-IRXDYDNUSA-N 1 3 357.498 2.963 20 0 FFADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000885967648 1007856435 /nfs/dbraw/zinc/85/64/35/1007856435.db2.gz VFXJTDYLFQHUOB-SFTDATJTSA-N 1 3 358.526 2.869 20 0 FFADHO C[C@H]1CN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001206389188 1032265441 /nfs/dbraw/zinc/26/54/41/1032265441.db2.gz PGDWHTUTTVZMDK-FQEVSTJZSA-N 1 3 364.537 2.803 20 0 FFADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccccc1F ZINC000819120214 1008049126 /nfs/dbraw/zinc/04/91/26/1008049126.db2.gz ADDAICZFSNQDGZ-OAQYLSRUSA-N 1 3 358.457 2.606 20 0 FFADHO O[C@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1F ZINC000819120214 1008049130 /nfs/dbraw/zinc/04/91/30/1008049130.db2.gz ADDAICZFSNQDGZ-OAQYLSRUSA-N 1 3 358.457 2.606 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858766043 1008418244 /nfs/dbraw/zinc/41/82/44/1008418244.db2.gz IRVIJGOKMWCDEQ-AZUAARDMSA-N 1 3 353.510 2.642 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858766043 1008418249 /nfs/dbraw/zinc/41/82/49/1008418249.db2.gz IRVIJGOKMWCDEQ-AZUAARDMSA-N 1 3 353.510 2.642 20 0 FFADHO CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCN(CCc2ccccn2)CC1 ZINC001136566068 1008554732 /nfs/dbraw/zinc/55/47/32/1008554732.db2.gz VIGDBKDLJNLIIS-GHTZIAJQSA-N 1 3 372.557 2.667 20 0 FFADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886628046 1008782065 /nfs/dbraw/zinc/78/20/65/1008782065.db2.gz DHRXWFWTOHDJAA-BWUHRYBWSA-N 1 3 355.526 2.921 20 0 FFADHO CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@]1(O)CCOC1 ZINC000886629901 1008782876 /nfs/dbraw/zinc/78/28/76/1008782876.db2.gz QLDAPGBAURIKJX-BPBCIEFSSA-N 1 3 358.526 2.807 20 0 FFADHO COC(=O)c1cccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)c1OC ZINC001206761384 1032413576 /nfs/dbraw/zinc/41/35/76/1032413576.db2.gz YQKHOLKYGSRUIW-UHFFFAOYSA-N 1 3 368.477 2.974 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC001274173282 1009561505 /nfs/dbraw/zinc/56/15/05/1009561505.db2.gz VKDZNOKMTDVJET-NEWSRXKRSA-N 1 3 361.917 2.857 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC001274173282 1009561511 /nfs/dbraw/zinc/56/15/11/1009561511.db2.gz VKDZNOKMTDVJET-NEWSRXKRSA-N 1 3 361.917 2.857 20 0 FFADHO CCN(CC)CC(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001180389604 1009659603 /nfs/dbraw/zinc/65/96/03/1009659603.db2.gz ZOPYFCAVRZANGI-UHFFFAOYSA-N 1 3 358.530 2.626 20 0 FFADHO CCN(CC)CC(=O)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001180389604 1009659608 /nfs/dbraw/zinc/65/96/08/1009659608.db2.gz ZOPYFCAVRZANGI-UHFFFAOYSA-N 1 3 358.530 2.626 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000152155496 1009760111 /nfs/dbraw/zinc/76/01/11/1009760111.db2.gz XLDJRHPEQRZPNE-XLIONFOSSA-N 1 3 373.545 2.733 20 0 FFADHO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C2CCN(CC3CC3)CC2)COC1(C)C ZINC000862271741 1009776346 /nfs/dbraw/zinc/77/63/46/1009776346.db2.gz AGRJUOJQUYVMNK-QGZVFWFLSA-N 1 3 367.534 2.822 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277215 1009778285 /nfs/dbraw/zinc/77/82/85/1009778285.db2.gz SAZQNDQROCXRNT-RCCFBDPRSA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277215 1009778297 /nfs/dbraw/zinc/77/82/97/1009778297.db2.gz SAZQNDQROCXRNT-RCCFBDPRSA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277215 1009778307 /nfs/dbraw/zinc/77/83/07/1009778307.db2.gz SAZQNDQROCXRNT-RCCFBDPRSA-N 1 3 369.550 2.721 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC=C(C(=O)OC)C2)CC1 ZINC000862467694 1009852432 /nfs/dbraw/zinc/85/24/32/1009852432.db2.gz XBHJAIHGGMTFSY-LJQANCHMSA-N 1 3 357.498 2.570 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133137 1009972490 /nfs/dbraw/zinc/97/24/90/1009972490.db2.gz SBPAKWUOFXKUIN-NVXWUHKLSA-N 1 3 361.917 2.620 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]Cc1ccc(F)cc1F ZINC001093825266 1010599369 /nfs/dbraw/zinc/59/93/69/1010599369.db2.gz ATTYWSYOOLZEIM-GDBMZVCRSA-N 1 3 365.468 2.633 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1)N(C)C ZINC001093839767 1010610361 /nfs/dbraw/zinc/61/03/61/1010610361.db2.gz YFRPSQJJFLMGBZ-BSIFCXSSSA-N 1 3 370.541 2.938 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001094041041 1010803935 /nfs/dbraw/zinc/80/39/35/1010803935.db2.gz UZKVOJSPDQMLNF-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC001094074513 1010833467 /nfs/dbraw/zinc/83/34/67/1010833467.db2.gz FCJSIYOCCNGQGZ-UMVBOHGHSA-N 1 3 362.424 2.676 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001094088853 1010849353 /nfs/dbraw/zinc/84/93/53/1010849353.db2.gz RXUKNLYMCCRZGR-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001094088853 1010849362 /nfs/dbraw/zinc/84/93/62/1010849362.db2.gz RXUKNLYMCCRZGR-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(CCF)CC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001094416412 1011101136 /nfs/dbraw/zinc/10/11/36/1011101136.db2.gz RUKCLZUSWMCTSR-YFVAEKQCSA-N 1 3 365.537 2.971 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(CCF)CC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001094416412 1011101143 /nfs/dbraw/zinc/10/11/43/1011101143.db2.gz RUKCLZUSWMCTSR-YFVAEKQCSA-N 1 3 365.537 2.971 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3C4CCC3(C[NH3+])CC4)c(C)c2)CC1 ZINC000868094754 1011164570 /nfs/dbraw/zinc/16/45/70/1011164570.db2.gz LRLQNGNGGKSGNR-UHFFFAOYSA-N 1 3 371.529 2.625 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)[C@H](C1CC1)N1CCCC1 ZINC001110847423 1011215545 /nfs/dbraw/zinc/21/55/45/1011215545.db2.gz QSJAFGZKVUDRMV-YRXWBPOGSA-N 1 3 351.510 2.722 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)[C@H](C1CC1)N1CCCC1 ZINC001110847423 1011215555 /nfs/dbraw/zinc/21/55/55/1011215555.db2.gz QSJAFGZKVUDRMV-YRXWBPOGSA-N 1 3 351.510 2.722 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC)CC2 ZINC001094555600 1011283235 /nfs/dbraw/zinc/28/32/35/1011283235.db2.gz DONGINLXUGLZAR-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC)CC2 ZINC001094555600 1011283245 /nfs/dbraw/zinc/28/32/45/1011283245.db2.gz DONGINLXUGLZAR-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CCCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(C)C1 ZINC000645101379 1011341570 /nfs/dbraw/zinc/34/15/70/1011341570.db2.gz IBHPABDYOSCCAC-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)NC/C=C\CNCc2ccsc2)[C@@H](c2ccccc2)C1 ZINC001274378121 1011408695 /nfs/dbraw/zinc/40/86/95/1011408695.db2.gz KSMYOWGSLKVECK-XSXCZSQGSA-N 1 3 369.534 2.856 20 0 FFADHO C[N@H+]1C[C@H](C(=O)NC/C=C\CNCc2ccsc2)[C@@H](c2ccccc2)C1 ZINC001274378121 1011408706 /nfs/dbraw/zinc/40/87/06/1011408706.db2.gz KSMYOWGSLKVECK-XSXCZSQGSA-N 1 3 369.534 2.856 20 0 FFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001274418341 1011432605 /nfs/dbraw/zinc/43/26/05/1011432605.db2.gz BZAJPZUKVGTWNV-MRXNPFEDSA-N 1 3 373.463 2.595 20 0 FFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1Cc1ccccc1 ZINC001171737957 1011469722 /nfs/dbraw/zinc/46/97/22/1011469722.db2.gz FFDMFEWWYZRXIG-UVUJQTEASA-N 1 3 357.542 2.882 20 0 FFADHO CCOC(=O)C1(C)CCC([NH+](CCCN(C)C)CCCN(C)C)CC1 ZINC001171956019 1011538609 /nfs/dbraw/zinc/53/86/09/1011538609.db2.gz IVWRGWBZEWUBIX-UHFFFAOYSA-N 1 3 355.567 2.704 20 0 FFADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005747 1011562532 /nfs/dbraw/zinc/56/25/32/1011562532.db2.gz TUVDKNVIUOEJIC-GOSISDBHSA-N 1 3 361.917 2.829 20 0 FFADHO COc1cncc(/C=C/CC[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000645842543 1011610775 /nfs/dbraw/zinc/61/07/75/1011610775.db2.gz ZALWEVFGFBKLGK-GQCTYLIASA-N 1 3 372.557 2.984 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172158185 1011671781 /nfs/dbraw/zinc/67/17/81/1011671781.db2.gz KEXURMZHGJDUEX-IAGOWNOFSA-N 1 3 361.917 2.829 20 0 FFADHO COCCCN1CCC([NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172255768 1011731443 /nfs/dbraw/zinc/73/14/43/1011731443.db2.gz NIYVWZNAYNNFLL-SFTDATJTSA-N 1 3 357.542 2.551 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000646194987 1011792823 /nfs/dbraw/zinc/79/28/23/1011792823.db2.gz QHJVWIMYCYBKNS-LJQANCHMSA-N 1 3 372.538 2.969 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccc(OC)cc3)CC2)C1 ZINC001172603303 1011877740 /nfs/dbraw/zinc/87/77/40/1011877740.db2.gz KDWDDHDYYCZKDZ-MSOLQXFVSA-N 1 3 360.498 2.763 20 0 FFADHO Cc1c[nH+]ccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172686730 1011938962 /nfs/dbraw/zinc/93/89/62/1011938962.db2.gz HRAVPMWECKKBDE-HXUWFJFHSA-N 1 3 364.493 2.703 20 0 FFADHO CCCN1C[C@@H]2C[N@H+](C3C[C@@H]4C=C[C@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172815405 1012035249 /nfs/dbraw/zinc/03/52/49/1012035249.db2.gz KNRACVAKLGMKGH-MKAJOQBOSA-N 1 3 361.530 2.967 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172815405 1012035267 /nfs/dbraw/zinc/03/52/67/1012035267.db2.gz KNRACVAKLGMKGH-MKAJOQBOSA-N 1 3 361.530 2.967 20 0 FFADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001275222837 1012099277 /nfs/dbraw/zinc/09/92/77/1012099277.db2.gz OBSGVVHJGZQHKF-VNTMZGSJSA-N 1 3 367.578 2.701 20 0 FFADHO CCCC[C@H](CC)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001275222837 1012099293 /nfs/dbraw/zinc/09/92/93/1012099293.db2.gz OBSGVVHJGZQHKF-VNTMZGSJSA-N 1 3 367.578 2.701 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001275282910 1012198087 /nfs/dbraw/zinc/19/80/87/1012198087.db2.gz WZBDFUQBFVAVMV-GOSISDBHSA-N 1 3 370.324 2.979 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)CC1 ZINC001173109280 1012256959 /nfs/dbraw/zinc/25/69/59/1012256959.db2.gz FXVCDUGAYLXQNA-DAWZGUTISA-N 1 3 369.550 2.553 20 0 FFADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275323755 1012299735 /nfs/dbraw/zinc/29/97/35/1012299735.db2.gz CYGSOZOLQIEGIE-RPUPUWCGSA-N 1 3 355.526 2.522 20 0 FFADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275323755 1012299750 /nfs/dbraw/zinc/29/97/50/1012299750.db2.gz CYGSOZOLQIEGIE-RPUPUWCGSA-N 1 3 355.526 2.522 20 0 FFADHO CCc1ccc(C[C@@H](C)[NH+]2CCC(N3CCC(C(N)=O)CC3)CC2)cc1 ZINC001173246129 1012370511 /nfs/dbraw/zinc/37/05/11/1012370511.db2.gz KTPJKWDDSMPMDQ-QGZVFWFLSA-N 1 3 357.542 2.842 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275418282 1012442304 /nfs/dbraw/zinc/44/23/04/1012442304.db2.gz ZDDJQUFRMDMPQQ-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275418282 1012442310 /nfs/dbraw/zinc/44/23/10/1012442310.db2.gz ZDDJQUFRMDMPQQ-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000647509979 1012520087 /nfs/dbraw/zinc/52/00/87/1012520087.db2.gz RRKXODQQZOGWDQ-WBVHZDCISA-N 1 3 372.538 2.816 20 0 FFADHO CNC(=O)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804228 1012590548 /nfs/dbraw/zinc/59/05/48/1012590548.db2.gz LTDYZLDIWOHZSJ-VYDXJSESSA-N 1 3 371.447 2.717 20 0 FFADHO CNC(=O)[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Cc1ccc(C(F)(F)F)cc1 ZINC000647804228 1012590561 /nfs/dbraw/zinc/59/05/61/1012590561.db2.gz LTDYZLDIWOHZSJ-VYDXJSESSA-N 1 3 371.447 2.717 20 0 FFADHO COc1ccc(CC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)cc1 ZINC000647883534 1012620770 /nfs/dbraw/zinc/62/07/70/1012620770.db2.gz ZUFVGARTPJDGMH-GOTSBHOMSA-N 1 3 368.521 2.881 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975678 1012651618 /nfs/dbraw/zinc/65/16/18/1012651618.db2.gz DMWMDTLFUIPRRC-KSZLIROESA-N 1 3 359.514 2.584 20 0 FFADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978806 1012654622 /nfs/dbraw/zinc/65/46/22/1012654622.db2.gz YKGKZFXFNOZUDK-VQTJNVASSA-N 1 3 373.541 2.592 20 0 FFADHO COc1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc(OC)c1O ZINC000648068372 1012682843 /nfs/dbraw/zinc/68/28/43/1012682843.db2.gz UXIJNEKKBPCRHS-MSOLQXFVSA-N 1 3 356.466 2.844 20 0 FFADHO COC(=O)c1ccc(C[C@@H](C)N2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001173735944 1012927809 /nfs/dbraw/zinc/92/78/09/1012927809.db2.gz UTTHJWNITISUSE-QGZVFWFLSA-N 1 3 353.466 2.930 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](CC3CCSCC3)C2)C1=O ZINC001275777602 1012994574 /nfs/dbraw/zinc/99/45/74/1012994574.db2.gz PPDCYFBEBGLRDM-OAQYLSRUSA-N 1 3 373.566 2.682 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](CC3CCSCC3)C2)C1=O ZINC001275777602 1012994586 /nfs/dbraw/zinc/99/45/86/1012994586.db2.gz PPDCYFBEBGLRDM-OAQYLSRUSA-N 1 3 373.566 2.682 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001097209031 1017192420 /nfs/dbraw/zinc/19/24/20/1017192420.db2.gz BIJKXDNYLIAUAW-CBPXPLCBSA-N 1 3 369.553 2.929 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001097209031 1017192427 /nfs/dbraw/zinc/19/24/27/1017192427.db2.gz BIJKXDNYLIAUAW-CBPXPLCBSA-N 1 3 369.553 2.929 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)cc2)CC1 ZINC000924721916 1017448373 /nfs/dbraw/zinc/44/83/73/1017448373.db2.gz IGPJLVVBBVGLRH-FCHUYYIVSA-N 1 3 357.542 2.729 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000679721177 1017591924 /nfs/dbraw/zinc/59/19/24/1017591924.db2.gz JILSEAVGQZJZRF-CMOCDZPBSA-N 1 3 358.526 2.930 20 0 FFADHO C[C@H]1CN(c2ccc(CN[C@@H](CCC[NH3+])c3ccccc3)cn2)CCO1 ZINC000925553319 1017783970 /nfs/dbraw/zinc/78/39/70/1017783970.db2.gz ORRRVXKBDKJPTL-PXNSSMCTSA-N 1 3 354.498 2.877 20 0 FFADHO Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCCN1C ZINC000925666360 1017813207 /nfs/dbraw/zinc/81/32/07/1017813207.db2.gz RXNRSGHVSBCNQQ-VNYTWHDVSA-N 1 3 359.562 2.561 20 0 FFADHO O=C1O[C@@H](CN[C@H]2CCCOc3cc4c(cc32)CCC4)CC12CC[NH2+]CC2 ZINC000925852572 1017874560 /nfs/dbraw/zinc/87/45/60/1017874560.db2.gz CPHQKIAHOQXTOV-MJGOQNOKSA-N 1 3 370.493 2.664 20 0 FFADHO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCF)CC1 ZINC001052990581 1018149538 /nfs/dbraw/zinc/14/95/38/1018149538.db2.gz GVZDKTDOYSJCMO-RSPOEFSDSA-N 1 3 365.537 2.922 20 0 FFADHO CCCCOCCN1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083349 1032745283 /nfs/dbraw/zinc/74/52/83/1032745283.db2.gz AVRZAXMFMUYWLJ-WOJBJXKFSA-N 1 3 365.562 2.602 20 0 FFADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@H]2c2ccccc2)C1 ZINC000680818447 1018194906 /nfs/dbraw/zinc/19/49/06/1018194906.db2.gz YHXFHMBITNBKQU-SFTDATJTSA-N 1 3 373.541 2.687 20 0 FFADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@H]2c2ccccc2)C1 ZINC000680818447 1018194912 /nfs/dbraw/zinc/19/49/12/1018194912.db2.gz YHXFHMBITNBKQU-SFTDATJTSA-N 1 3 373.541 2.687 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)CCCC[NH+](C)C)c2)CC1 ZINC000682418568 1018817217 /nfs/dbraw/zinc/81/72/17/1018817217.db2.gz KUXGFAVWLUOWFJ-UHFFFAOYSA-N 1 3 361.534 2.634 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901251435 1018870208 /nfs/dbraw/zinc/87/02/08/1018870208.db2.gz IWARKNWORHQJTP-AZUAARDMSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901251435 1018870230 /nfs/dbraw/zinc/87/02/30/1018870230.db2.gz IWARKNWORHQJTP-AZUAARDMSA-N 1 3 357.498 2.599 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000929347764 1019377309 /nfs/dbraw/zinc/37/73/09/1019377309.db2.gz KCQCEMXBSDKPTH-FQEVSTJZSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000929347764 1019377320 /nfs/dbraw/zinc/37/73/20/1019377320.db2.gz KCQCEMXBSDKPTH-FQEVSTJZSA-N 1 3 373.545 2.775 20 0 FFADHO C[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930136009 1019886970 /nfs/dbraw/zinc/88/69/70/1019886970.db2.gz ISLNGAMBQHKKAI-OJAHFUOMSA-N 1 3 363.496 2.993 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c1 ZINC001096344933 1020167975 /nfs/dbraw/zinc/16/79/75/1020167975.db2.gz HABNYIXIGFSPGN-CGXNFDGLSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1 ZINC001096344933 1020167984 /nfs/dbraw/zinc/16/79/84/1020167984.db2.gz HABNYIXIGFSPGN-CGXNFDGLSA-N 1 3 355.526 2.812 20 0 FFADHO OCCOC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCC(C(F)F)CC1 ZINC000902429843 1020195659 /nfs/dbraw/zinc/19/56/59/1020195659.db2.gz AHDSJGCPIDHZGT-AGYKMIKPSA-N 1 3 374.516 2.947 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1 ZINC001098214523 1020735342 /nfs/dbraw/zinc/73/53/42/1020735342.db2.gz LXZUEKQDOWEXII-KCLUMXDGSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c1 ZINC001098214523 1020735347 /nfs/dbraw/zinc/73/53/47/1020735347.db2.gz LXZUEKQDOWEXII-KCLUMXDGSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1cccc([C@H](C)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001098224755 1020745244 /nfs/dbraw/zinc/74/52/44/1020745244.db2.gz DGGFKRLWQHRWDE-NBYUQASBSA-N 1 3 353.510 2.873 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901004984 1020780014 /nfs/dbraw/zinc/78/00/14/1020780014.db2.gz YSFZMSRAXDKEMT-SFTDATJTSA-N 1 3 371.525 2.846 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901004984 1020780021 /nfs/dbraw/zinc/78/00/21/1020780021.db2.gz YSFZMSRAXDKEMT-SFTDATJTSA-N 1 3 371.525 2.846 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000903356743 1020802760 /nfs/dbraw/zinc/80/27/60/1020802760.db2.gz UUGNCEPCPWYPRB-QIJUGHKUSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000903356743 1020802764 /nfs/dbraw/zinc/80/27/64/1020802764.db2.gz UUGNCEPCPWYPRB-QIJUGHKUSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(O)c1 ZINC000933627310 1021053558 /nfs/dbraw/zinc/05/35/58/1021053558.db2.gz JVTNVUMXQRMPLE-KRWDZBQOSA-N 1 3 359.514 2.562 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc2)cn1 ZINC001116870895 1021463754 /nfs/dbraw/zinc/46/37/54/1021463754.db2.gz JHOVOGCBFHTEQI-SFTDATJTSA-N 1 3 354.498 2.555 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062738 1021695580 /nfs/dbraw/zinc/69/55/80/1021695580.db2.gz CDSSXOOFZCQSLC-UNMCSNQZSA-N 1 3 370.541 2.593 20 0 FFADHO CC(C)COCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099080461 1021734387 /nfs/dbraw/zinc/73/43/87/1021734387.db2.gz QMLMZALEMRAKOE-GUDVDZBRSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)COCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099080461 1021734369 /nfs/dbraw/zinc/73/43/69/1021734369.db2.gz QMLMZALEMRAKOE-GUDVDZBRSA-N 1 3 367.578 2.606 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4ncccc4c3)C2)CC[N@@H+]1C ZINC001014509571 1021885782 /nfs/dbraw/zinc/88/57/82/1021885782.db2.gz RZEQUVRNIASRQU-IRFCIJBXSA-N 1 3 366.509 2.656 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc4ncccc4c3)C2)CC[N@H+]1C ZINC001014509571 1021885795 /nfs/dbraw/zinc/88/57/95/1021885795.db2.gz RZEQUVRNIASRQU-IRFCIJBXSA-N 1 3 366.509 2.656 20 0 FFADHO C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(OC[C@H]2CNCCO2)cc13 ZINC001218178545 1033034083 /nfs/dbraw/zinc/03/40/83/1033034083.db2.gz XTTCAILJWUVCJW-UGESXGAOSA-N 1 3 356.510 2.742 20 0 FFADHO C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(OC[C@H]2CNCCO2)cc13 ZINC001218178545 1033034093 /nfs/dbraw/zinc/03/40/93/1033034093.db2.gz XTTCAILJWUVCJW-UGESXGAOSA-N 1 3 356.510 2.742 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC3CCCC3)C2)CCC1 ZINC001099263576 1022185234 /nfs/dbraw/zinc/18/52/34/1022185234.db2.gz TWCZNNFRUKOAQZ-HUUCEWRRSA-N 1 3 361.452 2.640 20 0 FFADHO C[C@@H]([C@H](Oc1ccc(C[C@H](N)C(N)=O)cc1)c1ccccc1)[NH+]1CCCC1 ZINC001218189269 1033040489 /nfs/dbraw/zinc/04/04/89/1033040489.db2.gz ULKGDGMNLBSZCJ-NDXORKPFSA-N 1 3 367.493 2.646 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ccccn3)C2)C1 ZINC001099497344 1022633752 /nfs/dbraw/zinc/63/37/52/1022633752.db2.gz WAOMNOYEGSICKF-AVRDEDQJSA-N 1 3 370.541 2.532 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)CC[N@@H+]1C ZINC001040211460 1022806263 /nfs/dbraw/zinc/80/62/63/1022806263.db2.gz VILBGKFGLMGWTH-VWPQPMDRSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)CC[N@H+]1C ZINC001040211460 1022806274 /nfs/dbraw/zinc/80/62/74/1022806274.db2.gz VILBGKFGLMGWTH-VWPQPMDRSA-N 1 3 370.541 2.626 20 0 FFADHO CC1CCN(CC(=O)N2CCC3(CC2)C[C@@H]([NH3+])c2ccccc2O3)CC1 ZINC001122237116 1023135992 /nfs/dbraw/zinc/13/59/92/1023135992.db2.gz XAVRZECSHBAWRR-GOSISDBHSA-N 1 3 357.498 2.562 20 0 FFADHO CC[NH+](CC)CCOc1cccc(NC(=O)c2cc3n(n2)CCC[C@H]3N)c1 ZINC001122428395 1023261317 /nfs/dbraw/zinc/26/13/17/1023261317.db2.gz MKVZMXOOJQDRGM-QGZVFWFLSA-N 1 3 371.485 2.650 20 0 FFADHO [NH3+]C[C@@H]1CCCC12CCN(C(=O)[C@@H]1CCCN(Cc3cccnc3)C1)CC2 ZINC001122557088 1023337613 /nfs/dbraw/zinc/33/76/13/1023337613.db2.gz WCUWGYQUXNZWRO-UXHICEINSA-N 1 3 370.541 2.661 20 0 FFADHO COc1c(C)cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C ZINC000076893800 1023401264 /nfs/dbraw/zinc/40/12/64/1023401264.db2.gz DXZFJEDIDNAVRT-UHFFFAOYSA-N 1 3 369.509 2.893 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000754186457 1023436806 /nfs/dbraw/zinc/43/68/06/1023436806.db2.gz PGURPBSUXDZZIA-QZTJIDSGSA-N 1 3 369.550 2.506 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000757291845 1023815492 /nfs/dbraw/zinc/81/54/92/1023815492.db2.gz TVPAYTXHBUFYOJ-NRFANRHFSA-N 1 3 374.573 2.780 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000757291845 1023815496 /nfs/dbraw/zinc/81/54/96/1023815496.db2.gz TVPAYTXHBUFYOJ-NRFANRHFSA-N 1 3 374.573 2.780 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001121830803 1024076399 /nfs/dbraw/zinc/07/63/99/1024076399.db2.gz CZDBWUYVBJWPHE-GOSISDBHSA-N 1 3 374.577 2.952 20 0 FFADHO [NH3+][C@@H]1CCCn2nc(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)cc21 ZINC001121904030 1024154518 /nfs/dbraw/zinc/15/45/18/1024154518.db2.gz POQREUCOKCMHMT-MJGOQNOKSA-N 1 3 367.497 2.634 20 0 FFADHO C[C@@H](CNC(=O)C1(C(F)(F)F)CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC001121923862 1024174977 /nfs/dbraw/zinc/17/49/77/1024174977.db2.gz SSOLIPNVQIZWMB-AWEZNQCLSA-N 1 3 357.420 2.555 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001121970700 1024218473 /nfs/dbraw/zinc/21/84/73/1024218473.db2.gz BVNXRDNDUHOHEV-MRXNPFEDSA-N 1 3 352.482 2.538 20 0 FFADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cccc2c1OCCNC2 ZINC001122004754 1024256372 /nfs/dbraw/zinc/25/63/72/1024256372.db2.gz AACCMARVEDKHJE-UHFFFAOYSA-N 1 3 357.498 2.696 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400096 1024637154 /nfs/dbraw/zinc/63/71/54/1024637154.db2.gz GKSRCIKWUPNUJV-GGAORHGYSA-N 1 3 371.569 2.914 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H]2CN(C(=O)CN(CC)CC)C[C@]2(C)C1 ZINC001101400096 1024637160 /nfs/dbraw/zinc/63/71/60/1024637160.db2.gz GKSRCIKWUPNUJV-GGAORHGYSA-N 1 3 371.569 2.914 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)c(F)c3)C[C@@]2(C)C1 ZINC001101444115 1024759328 /nfs/dbraw/zinc/75/93/28/1024759328.db2.gz ZMIPUVQOHNQGMK-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)c(F)c3)C[C@@]2(C)C1 ZINC001101444115 1024759338 /nfs/dbraw/zinc/75/93/38/1024759338.db2.gz ZMIPUVQOHNQGMK-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1 ZINC001101477470 1024844102 /nfs/dbraw/zinc/84/41/02/1024844102.db2.gz WJBUCPAWVJCSTL-IRLDBZIGSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1 ZINC001101477470 1024844125 /nfs/dbraw/zinc/84/41/25/1024844125.db2.gz WJBUCPAWVJCSTL-IRLDBZIGSA-N 1 3 357.542 2.870 20 0 FFADHO O=C1[C@@H]2CCCCC[C@H]2N1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779877316 1025181951 /nfs/dbraw/zinc/18/19/51/1025181951.db2.gz MFLWSEJRYBDMGJ-WOJBJXKFSA-N 1 3 363.546 2.559 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102048682 1025356891 /nfs/dbraw/zinc/35/68/91/1025356891.db2.gz LDNZFJLLYCGDGN-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c1 ZINC001102048682 1025356900 /nfs/dbraw/zinc/35/69/00/1025356900.db2.gz LDNZFJLLYCGDGN-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C)N(C)C ZINC001102086885 1025412348 /nfs/dbraw/zinc/41/23/48/1025412348.db2.gz CUFYIZZGFOENKL-MAODMQOUSA-N 1 3 357.542 2.700 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C)N(C)C ZINC001102086885 1025412354 /nfs/dbraw/zinc/41/23/54/1025412354.db2.gz CUFYIZZGFOENKL-MAODMQOUSA-N 1 3 357.542 2.700 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001102088433 1025412524 /nfs/dbraw/zinc/41/25/24/1025412524.db2.gz VXAIGJIORJEXRY-XFQXTVEOSA-N 1 3 356.514 2.692 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001102088433 1025412526 /nfs/dbraw/zinc/41/25/26/1025412526.db2.gz VXAIGJIORJEXRY-XFQXTVEOSA-N 1 3 356.514 2.692 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1C)N(C)C ZINC001102337749 1025771564 /nfs/dbraw/zinc/77/15/64/1025771564.db2.gz QTBFJRXVGLRQBY-NSISKUIASA-N 1 3 363.521 2.926 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1C)N(C)C ZINC001102337749 1025771578 /nfs/dbraw/zinc/77/15/78/1025771578.db2.gz QTBFJRXVGLRQBY-NSISKUIASA-N 1 3 363.521 2.926 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1C)[NH+](CC)CC ZINC001102357809 1025801585 /nfs/dbraw/zinc/80/15/85/1025801585.db2.gz JUZLOGPKXRYQOG-QGPMSJSTSA-N 1 3 366.575 2.756 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1 ZINC001102369858 1025822383 /nfs/dbraw/zinc/82/23/83/1025822383.db2.gz IWBXRKGZODZNRT-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1 ZINC001102369858 1025822400 /nfs/dbraw/zinc/82/24/00/1025822400.db2.gz IWBXRKGZODZNRT-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2C)C1 ZINC001102369905 1025825637 /nfs/dbraw/zinc/82/56/37/1025825637.db2.gz KCOOJOYESGMMIJ-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2C)C1 ZINC001102369905 1025825658 /nfs/dbraw/zinc/82/56/58/1025825658.db2.gz KCOOJOYESGMMIJ-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1 ZINC001102368263 1025829477 /nfs/dbraw/zinc/82/94/77/1025829477.db2.gz NETCCCKTOAAHFM-WOIUINJBSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1 ZINC001102368263 1025829495 /nfs/dbraw/zinc/82/94/95/1025829495.db2.gz NETCCCKTOAAHFM-WOIUINJBSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]2C)C1 ZINC001102370133 1025834743 /nfs/dbraw/zinc/83/47/43/1025834743.db2.gz RXYSUGIUROWSPI-NJNPRVFISA-N 1 3 369.553 2.701 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]2C)C1 ZINC001102370133 1025834751 /nfs/dbraw/zinc/83/47/51/1025834751.db2.gz RXYSUGIUROWSPI-NJNPRVFISA-N 1 3 369.553 2.701 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638783868 1026015750 /nfs/dbraw/zinc/01/57/50/1026015750.db2.gz JXWZPMJYDPQRPP-OAQYLSRUSA-N 1 3 371.525 2.513 20 0 FFADHO N[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000638809355 1026030514 /nfs/dbraw/zinc/03/05/14/1026030514.db2.gz XIOOWNXBPXCCKP-GBESFXJTSA-N 1 3 373.447 2.753 20 0 FFADHO N[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000638809355 1026030535 /nfs/dbraw/zinc/03/05/35/1026030535.db2.gz XIOOWNXBPXCCKP-GBESFXJTSA-N 1 3 373.447 2.753 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1C)C(C)C ZINC001102472056 1026041178 /nfs/dbraw/zinc/04/11/78/1026041178.db2.gz GAWXLJXMRPIKLQ-SUMDDJOVSA-N 1 3 364.534 2.534 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCOCC)C[C@H]1C ZINC001102504332 1026153515 /nfs/dbraw/zinc/15/35/15/1026153515.db2.gz LQRWTBXROSXCMK-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCOCC)C[C@H]1C ZINC001102504332 1026153528 /nfs/dbraw/zinc/15/35/28/1026153528.db2.gz LQRWTBXROSXCMK-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO C[C@@H](O)[C@@H]1CCCN(C[C@H](C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544159 1026360178 /nfs/dbraw/zinc/36/01/78/1026360178.db2.gz VDVRXHIERCYWRW-ZDRNMDQLSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H](O)[C@@H]1CCCN(C[C@H](C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544159 1026360190 /nfs/dbraw/zinc/36/01/90/1026360190.db2.gz VDVRXHIERCYWRW-ZDRNMDQLSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H](O)[C@@H]1CCC[N@@H+](C[C@H](CN2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544159 1026360199 /nfs/dbraw/zinc/36/01/99/1026360199.db2.gz VDVRXHIERCYWRW-ZDRNMDQLSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H](O)[C@@H]1CCC[N@H+](C[C@H](CN2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544159 1026360206 /nfs/dbraw/zinc/36/02/06/1026360206.db2.gz VDVRXHIERCYWRW-ZDRNMDQLSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1)OC ZINC001102987594 1026858117 /nfs/dbraw/zinc/85/81/17/1026858117.db2.gz ITGRYUNMVBRTPE-QRVBRYPASA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1)OC ZINC001102987594 1026858126 /nfs/dbraw/zinc/85/81/26/1026858126.db2.gz ITGRYUNMVBRTPE-QRVBRYPASA-N 1 3 367.578 2.750 20 0 FFADHO Cc1ncccc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111953 1026971318 /nfs/dbraw/zinc/97/13/18/1026971318.db2.gz XJNMRCRZUQGMEI-POAQFYNOSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1ncccc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111953 1026971327 /nfs/dbraw/zinc/97/13/27/1026971327.db2.gz XJNMRCRZUQGMEI-POAQFYNOSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1cnc(CN2C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C2)s1 ZINC001103111991 1026971389 /nfs/dbraw/zinc/97/13/89/1026971389.db2.gz YYPVIDQLTSMRBL-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C)N(C)C ZINC001103140308 1026995415 /nfs/dbraw/zinc/99/54/15/1026995415.db2.gz YBGYUHWTPCXZSI-YVWKXTFCSA-N 1 3 363.521 2.783 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C)N(C)C ZINC001103140308 1026995425 /nfs/dbraw/zinc/99/54/25/1026995425.db2.gz YBGYUHWTPCXZSI-YVWKXTFCSA-N 1 3 363.521 2.783 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C ZINC001103158123 1027012897 /nfs/dbraw/zinc/01/28/97/1027012897.db2.gz VCLMOQDARGNUCQ-KZNAEPCWSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C ZINC001103158123 1027012900 /nfs/dbraw/zinc/01/29/00/1027012900.db2.gz VCLMOQDARGNUCQ-KZNAEPCWSA-N 1 3 367.578 2.606 20 0 FFADHO CCO[C@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1)C1CC1 ZINC001103157844 1027013127 /nfs/dbraw/zinc/01/31/27/1027013127.db2.gz FSLKSLTWGZIIBA-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO CCO[C@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C1)C1CC1 ZINC001103157844 1027013137 /nfs/dbraw/zinc/01/31/37/1027013137.db2.gz FSLKSLTWGZIIBA-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO CN1CCC(N(c2nccc(Oc3ccccc3)n2)C2CC[NH2+]CC2)CC1 ZINC001158575359 1027064864 /nfs/dbraw/zinc/06/48/64/1027064864.db2.gz NBLMPIOLCWRCHV-UHFFFAOYSA-N 1 3 367.497 2.922 20 0 FFADHO CSc1ncc(Cl)nc1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158589483 1027070825 /nfs/dbraw/zinc/07/08/25/1027070825.db2.gz SKKPFWKDTWELTD-UHFFFAOYSA-N 1 3 355.939 2.505 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000642030457 1027390415 /nfs/dbraw/zinc/39/04/15/1027390415.db2.gz LOCOYDNSKKYNBU-CEWLAPEOSA-N 1 3 370.541 2.600 20 0 FFADHO COc1cccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159459780 1027398184 /nfs/dbraw/zinc/39/81/84/1027398184.db2.gz FCTZYVYFTPWINR-UHFFFAOYSA-N 1 3 350.466 3.000 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4cccnc43)c3ccccc23)CC1 ZINC001159460743 1027398746 /nfs/dbraw/zinc/39/87/46/1027398746.db2.gz ZTFXJBPMGVZURG-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1C ZINC001103433824 1027473756 /nfs/dbraw/zinc/47/37/56/1027473756.db2.gz NUMQVUVDMGMGSS-RBSFLKMASA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1C ZINC001103433824 1027473766 /nfs/dbraw/zinc/47/37/66/1027473766.db2.gz NUMQVUVDMGMGSS-RBSFLKMASA-N 1 3 362.345 2.864 20 0 FFADHO Cc1cccc(-c2cc(C(F)(F)N[C@@H](N)CCC[NH3+])c(Cl)nn2)c1 ZINC001159789328 1027498296 /nfs/dbraw/zinc/49/82/96/1027498296.db2.gz SPDDUDFLJYVFNP-CQSZACIVSA-N 1 3 355.820 2.768 20 0 FFADHO [NH3+][C@H]1CCc2c3ccccc3n(-c3nc(Cl)nc4c3CNCC4)c2C1 ZINC001159943125 1027540073 /nfs/dbraw/zinc/54/00/73/1027540073.db2.gz JZRLQZAOZKIBEO-NSHDSACASA-N 1 3 353.857 2.536 20 0 FFADHO COCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495595 1027603356 /nfs/dbraw/zinc/60/33/56/1027603356.db2.gz KHEMWCJQUMESCA-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495595 1027603362 /nfs/dbraw/zinc/60/33/62/1027603362.db2.gz KHEMWCJQUMESCA-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO Cc1ccc([C@]2(C)CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCO2)cc1 ZINC001160679026 1027799893 /nfs/dbraw/zinc/79/98/93/1027799893.db2.gz CGRDYVFUBXHIFN-FPOVZHCZSA-N 1 3 361.530 2.565 20 0 FFADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160728426 1027833787 /nfs/dbraw/zinc/83/37/87/1027833787.db2.gz DBRBTWDJQNADLP-ZIFCJYIRSA-N 1 3 351.535 2.650 20 0 FFADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160728426 1027833800 /nfs/dbraw/zinc/83/38/00/1027833800.db2.gz DBRBTWDJQNADLP-ZIFCJYIRSA-N 1 3 351.535 2.650 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1C ZINC001103663699 1027921880 /nfs/dbraw/zinc/92/18/80/1027921880.db2.gz PAUQTDSHEIAYHA-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1C ZINC001103663699 1027921899 /nfs/dbraw/zinc/92/18/99/1027921899.db2.gz PAUQTDSHEIAYHA-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO O=C(c1cc2c(s1)CNCC2)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161436850 1028172652 /nfs/dbraw/zinc/17/26/52/1028172652.db2.gz NXFKKRLBNQYMFA-UHFFFAOYSA-N 1 3 355.507 2.788 20 0 FFADHO Cc1ccc(C(F)(F)F)cc1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161449942 1028180056 /nfs/dbraw/zinc/18/00/56/1028180056.db2.gz WCFRABKNFLMEKY-HNNXBMFYSA-N 1 3 357.420 2.770 20 0 FFADHO COc1ccc2cc(C(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)sc2c1 ZINC001161451686 1028182463 /nfs/dbraw/zinc/18/24/63/1028182463.db2.gz MIJVWECRZYOCJH-HNNXBMFYSA-N 1 3 361.511 2.666 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001161526079 1028215820 /nfs/dbraw/zinc/21/58/20/1028215820.db2.gz CCYPEMLHDSPXDJ-PZJWPPBQSA-N 1 3 361.505 2.691 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161576725 1028236376 /nfs/dbraw/zinc/23/63/76/1028236376.db2.gz SCGKKZGBRXXAMC-HBMCJLEFSA-N 1 3 355.526 2.875 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161576725 1028236382 /nfs/dbraw/zinc/23/63/82/1028236382.db2.gz SCGKKZGBRXXAMC-HBMCJLEFSA-N 1 3 355.526 2.875 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161595714 1028247625 /nfs/dbraw/zinc/24/76/25/1028247625.db2.gz SPMSWGIMKBCOLW-NRFANRHFSA-N 1 3 367.468 2.707 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCC[C@H]3COc4ccccc4O3)n2)CC1 ZINC001162542808 1028576418 /nfs/dbraw/zinc/57/64/18/1028576418.db2.gz WREXEJJJCMWAGY-INIZCTEOSA-N 1 3 354.454 2.651 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001155247116 1028644610 /nfs/dbraw/zinc/64/46/10/1028644610.db2.gz AHMFPVLKOKOYHW-NSHDSACASA-N 1 3 356.861 2.956 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C(F)F)nc2ccc(F)cc21 ZINC001163128826 1028812177 /nfs/dbraw/zinc/81/21/77/1028812177.db2.gz CMHXYOTWHNYSIS-UHFFFAOYSA-N 1 3 354.380 2.985 20 0 FFADHO c1nc2cc(NCc3noc4c3CNCC4)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001163131831 1028818734 /nfs/dbraw/zinc/81/87/34/1028818734.db2.gz MSCSKQJFGOAXMD-OAHLLOKOSA-N 1 3 366.469 2.597 20 0 FFADHO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1ncc2c(n1)CCNC2 ZINC001156014125 1029012928 /nfs/dbraw/zinc/01/29/28/1029012928.db2.gz XPXKCFVEQJESDZ-UHFFFAOYSA-N 1 3 363.465 2.542 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)OCCNC5)[C@@H]3C2)cc1 ZINC001164483731 1029290155 /nfs/dbraw/zinc/29/01/55/1029290155.db2.gz CLWBMSLPQXMPPP-ZCNNSNEGSA-N 1 3 364.493 2.886 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ccc5c(n4)OCCNC5)[C@@H]3C2)cc1 ZINC001164483731 1029290170 /nfs/dbraw/zinc/29/01/70/1029290170.db2.gz CLWBMSLPQXMPPP-ZCNNSNEGSA-N 1 3 364.493 2.886 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)OCCNC5)[C@@H]3C2)cc1 ZINC001164483728 1029291299 /nfs/dbraw/zinc/29/12/99/1029291299.db2.gz CLWBMSLPQXMPPP-XUVXKRRUSA-N 1 3 364.493 2.886 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)OCCNC5)[C@@H]3C2)cc1 ZINC001164483728 1029291315 /nfs/dbraw/zinc/29/13/15/1029291315.db2.gz CLWBMSLPQXMPPP-XUVXKRRUSA-N 1 3 364.493 2.886 20 0 FFADHO Cc1cnc(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)nc1C1C[NH2+]C1 ZINC001165198945 1029443593 /nfs/dbraw/zinc/44/35/93/1029443593.db2.gz WCAFLZZABIOIHB-DLBZAZTESA-N 1 3 351.498 2.571 20 0 FFADHO N=C(NCCCC[NH3+])Nc1cc(F)ccc1Oc1ccc(Cl)nn1 ZINC001157100071 1029465241 /nfs/dbraw/zinc/46/52/41/1029465241.db2.gz YXSMPMLFVBLRBE-UHFFFAOYSA-N 1 3 352.801 2.737 20 0 FFADHO CN(Cc1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1)C1CC1 ZINC001157169645 1029492217 /nfs/dbraw/zinc/49/22/17/1029492217.db2.gz SCRRLNRQQKHWFB-KRWDZBQOSA-N 1 3 362.518 2.927 20 0 FFADHO Fc1cccc2c(C3CC[NH2+]CC3)cn(-c3ncc4c(n3)CCNC4)c21 ZINC001157360347 1029565914 /nfs/dbraw/zinc/56/59/14/1029565914.db2.gz XTSGTNQFYWRZRY-UHFFFAOYSA-N 1 3 351.429 2.672 20 0 FFADHO Cc1cccc(-c2ccc(N3CCN(CC4CC[NH+](C)CC4)CC3)nn2)c1 ZINC001157841347 1029674188 /nfs/dbraw/zinc/67/41/88/1029674188.db2.gz CXMGIRFXEFQJSJ-UHFFFAOYSA-N 1 3 365.525 2.916 20 0 FFADHO CCCCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973816 1029697242 /nfs/dbraw/zinc/69/72/42/1029697242.db2.gz QVRCAGNDRZQBLG-HSALFYBXSA-N 1 3 367.578 2.846 20 0 FFADHO CCCCOCCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973816 1029697244 /nfs/dbraw/zinc/69/72/44/1029697244.db2.gz QVRCAGNDRZQBLG-HSALFYBXSA-N 1 3 367.578 2.846 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001158027151 1029711041 /nfs/dbraw/zinc/71/10/41/1029711041.db2.gz FEIKPQMJSLXIDP-RBBKRZOGSA-N 1 3 373.541 2.728 20 0 FFADHO N[C@@H](CC(=O)N1CCC2(CCC[NH2+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC001158169753 1029749341 /nfs/dbraw/zinc/74/93/41/1029749341.db2.gz UDZLTRXLTRMGMB-HNNXBMFYSA-N 1 3 355.404 2.840 20 0 FFADHO O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199126 1029754032 /nfs/dbraw/zinc/75/40/32/1029754032.db2.gz MYCUVDSVDPRNGB-LEWJYISDSA-N 1 3 361.489 2.671 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001158230440 1029764459 /nfs/dbraw/zinc/76/44/59/1029764459.db2.gz POIDANMWDOZMBH-LJQANCHMSA-N 1 3 355.526 2.843 20 0 FFADHO O=C(c1ccc2c(c1)CNC2)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158263001 1029778223 /nfs/dbraw/zinc/77/82/23/1029778223.db2.gz XRMJLHYMYQGABC-OAHLLOKOSA-N 1 3 353.388 2.579 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3ncc(Cl)nc3-c3ccccc3)CC2)C1 ZINC001158268262 1029780372 /nfs/dbraw/zinc/78/03/72/1029780372.db2.gz KAQJHMHFKLWYIM-HNNXBMFYSA-N 1 3 357.889 2.799 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3ncc(Cl)nc3-c3ccccc3)CC2)C1 ZINC001158268262 1029780376 /nfs/dbraw/zinc/78/03/76/1029780376.db2.gz KAQJHMHFKLWYIM-HNNXBMFYSA-N 1 3 357.889 2.799 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113156 1030033730 /nfs/dbraw/zinc/03/37/30/1030033730.db2.gz GQZYMGPIZTYKCJ-JBZXTQMFSA-N 1 3 361.452 2.806 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)CN1Cc1ccccc1 ZINC000841285568 1030159045 /nfs/dbraw/zinc/15/90/45/1030159045.db2.gz SNMZGNZROHZLIU-APWZRJJASA-N 1 3 368.481 2.809 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142347661 1030332719 /nfs/dbraw/zinc/33/27/19/1030332719.db2.gz IBUBWNVSTZSPGE-GOSISDBHSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142347661 1030332735 /nfs/dbraw/zinc/33/27/35/1030332735.db2.gz IBUBWNVSTZSPGE-GOSISDBHSA-N 1 3 358.530 2.674 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841819394 1030486907 /nfs/dbraw/zinc/48/69/07/1030486907.db2.gz BTUXICYBYFWXJM-IAGOWNOFSA-N 1 3 366.456 2.510 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000841905573 1030532197 /nfs/dbraw/zinc/53/21/97/1030532197.db2.gz FXWFAGOACKCADC-DYESRHJHSA-N 1 3 366.509 2.650 20 0 FFADHO CCc1cc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccn4)CO3)CC2)on1 ZINC001203219025 1030643266 /nfs/dbraw/zinc/64/32/66/1030643266.db2.gz QHDGVBKSMHMMRP-IBGZPJMESA-N 1 3 370.497 2.888 20 0 FFADHO CCc1cc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccn4)CO3)CC2)on1 ZINC001203219026 1030643605 /nfs/dbraw/zinc/64/36/05/1030643605.db2.gz QHDGVBKSMHMMRP-LJQANCHMSA-N 1 3 370.497 2.888 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699665304 1030707621 /nfs/dbraw/zinc/70/76/21/1030707621.db2.gz LMIYDWYKQHHJMG-ZWKOTPCHSA-N 1 3 369.550 2.722 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c1 ZINC001203748604 1030860905 /nfs/dbraw/zinc/86/09/05/1030860905.db2.gz QKCMIAFWDXLFDU-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c1 ZINC001203748604 1030860927 /nfs/dbraw/zinc/86/09/27/1030860927.db2.gz QKCMIAFWDXLFDU-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO COc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1OC(=O)C1CC1 ZINC000843126081 1031193911 /nfs/dbraw/zinc/19/39/11/1031193911.db2.gz FXEIGTUPFBSWRT-GOSISDBHSA-N 1 3 358.482 2.832 20 0 FFADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177376 1031683351 /nfs/dbraw/zinc/68/33/51/1031683351.db2.gz RSCQWYMEEDKPMJ-UHFFFAOYSA-N 1 3 361.505 2.982 20 0 FFADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205673961 1031925097 /nfs/dbraw/zinc/92/50/97/1031925097.db2.gz WQDFHAJHHFESBT-OAQYLSRUSA-N 1 3 350.466 2.701 20 0 FFADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205673961 1031925106 /nfs/dbraw/zinc/92/51/06/1031925106.db2.gz WQDFHAJHHFESBT-OAQYLSRUSA-N 1 3 350.466 2.701 20 0 FFADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205673961 1031925115 /nfs/dbraw/zinc/92/51/15/1031925115.db2.gz WQDFHAJHHFESBT-OAQYLSRUSA-N 1 3 350.466 2.701 20 0 FFADHO Cc1cccc(C[C@]2(C(=O)Nc3cc([C@H]4CCCN4)no3)CCC[NH2+]2)c1 ZINC001218710671 1033295905 /nfs/dbraw/zinc/29/59/05/1033295905.db2.gz GXDHVEHLPDFOCX-UZLBHIALSA-N 1 3 354.454 2.711 20 0 FFADHO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)Nc3cc([C@@H]4CCCN4)no3)C2)c1 ZINC001218710150 1033296091 /nfs/dbraw/zinc/29/60/91/1033296091.db2.gz BVBDWGPLNXDOPD-RYRKJORJSA-N 1 3 354.454 2.567 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001218718390 1033301733 /nfs/dbraw/zinc/30/17/33/1033301733.db2.gz OUZRTHAZXINTBB-ZDUSSCGKSA-N 1 3 367.291 2.928 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)CC1 ZINC001223378890 1033418741 /nfs/dbraw/zinc/41/87/41/1033418741.db2.gz ONYASJCHXMJKID-AZNZRYBASA-N 1 3 367.537 2.964 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001219028140 1033475670 /nfs/dbraw/zinc/47/56/70/1033475670.db2.gz QNVBOKAANXLSEY-FUHWJXTLSA-N 1 3 351.450 2.500 20 0 FFADHO COCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223614672 1033518910 /nfs/dbraw/zinc/51/89/10/1033518910.db2.gz XUYBOAZIMTWEMY-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001223614672 1033518913 /nfs/dbraw/zinc/51/89/13/1033518913.db2.gz XUYBOAZIMTWEMY-AQNXPRMDSA-N 1 3 365.562 2.600 20 0 FFADHO COC(=O)c1cc2cccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c2s1 ZINC001219262125 1033574507 /nfs/dbraw/zinc/57/45/07/1033574507.db2.gz MGYSEXKXFNEQDQ-ZDUSSCGKSA-N 1 3 363.483 2.686 20 0 FFADHO C[C@H]1CCN[C@@H](C(=O)Nc2c(F)cccc2OCC2CC[NH+](C)CC2)C1 ZINC001219299094 1033588988 /nfs/dbraw/zinc/58/89/88/1033588988.db2.gz IMCQGTPDUITGOK-WMLDXEAASA-N 1 3 363.477 2.873 20 0 FFADHO CC[C@]1(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC001219668867 1033741010 /nfs/dbraw/zinc/74/10/10/1033741010.db2.gz CKILTYDYGSICDT-QFIPXVFZSA-N 1 3 357.542 2.837 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001220162102 1034014755 /nfs/dbraw/zinc/01/47/55/1034014755.db2.gz HKPFJUWRMIMMMF-LZNRXBQRSA-N 1 3 373.541 2.772 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CCN(C)C)C3=O)sn1 ZINC001277078696 1034432671 /nfs/dbraw/zinc/43/26/71/1034432671.db2.gz XEKMIXYHFABRRL-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CCN(C)C)C3=O)sn1 ZINC001277078696 1034432672 /nfs/dbraw/zinc/43/26/72/1034432672.db2.gz XEKMIXYHFABRRL-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO [NH3+][C@H](CC(=O)NCCc1c[nH]c2ccncc12)Cc1c[nH]c2ccccc12 ZINC001220865785 1034436512 /nfs/dbraw/zinc/43/65/12/1034436512.db2.gz KQOUDVWKGPONDS-INIZCTEOSA-N 1 3 361.449 2.663 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001221093878 1034542994 /nfs/dbraw/zinc/54/29/94/1034542994.db2.gz YGRGXBCEUODOIN-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO N[C@@H](CCOCc1ccccc1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221127570 1034566437 /nfs/dbraw/zinc/56/64/37/1034566437.db2.gz GLYHZVNHYLIGTH-FQEVSTJZSA-N 1 3 373.541 2.597 20 0 FFADHO CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138771742 1034639587 /nfs/dbraw/zinc/63/95/87/1034639587.db2.gz BKMVEXSMLDMYGZ-UHFFFAOYSA-N 1 3 365.518 2.974 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC001226564781 1034738091 /nfs/dbraw/zinc/73/80/91/1034738091.db2.gz OWEZWQAIJBAGHF-ARFHVFGLSA-N 1 3 370.538 2.648 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccccc2F)CCC1 ZINC001226781969 1034836959 /nfs/dbraw/zinc/83/69/59/1034836959.db2.gz GMEKYEPCCRGYSL-RTBURBONSA-N 1 3 361.505 2.870 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001226790899 1034842582 /nfs/dbraw/zinc/84/25/82/1034842582.db2.gz HLPWYJJJFQADPH-QRVBRYPASA-N 1 3 365.562 2.693 20 0 FFADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1F)C1CC1 ZINC001226799913 1034844044 /nfs/dbraw/zinc/84/40/44/1034844044.db2.gz GLESONOLJHIIGI-ZHALLVOQSA-N 1 3 365.468 2.822 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CCN(CCCCCOC)C[C@H]21)C(C)C ZINC001221878002 1035130682 /nfs/dbraw/zinc/13/06/82/1035130682.db2.gz WDTYCTBYZGQMAR-AQNXPRMDSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703068 1035684899 /nfs/dbraw/zinc/68/48/99/1035684899.db2.gz BECCTDOAVXBJFR-VAMGGRTRSA-N 1 3 365.562 2.693 20 0 FFADHO C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1cc(F)ccc1F ZINC001228355730 1036067569 /nfs/dbraw/zinc/06/75/69/1036067569.db2.gz SLDPYXNIZLLKOP-FSPWUOQZSA-N 1 3 353.457 2.995 20 0 FFADHO Cc1cc(O)cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001232880664 1036125603 /nfs/dbraw/zinc/12/56/03/1036125603.db2.gz NUKMJYOVUPYSRD-NHCUHLMSSA-N 1 3 371.525 2.608 20 0 FFADHO CCO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001228646541 1036227668 /nfs/dbraw/zinc/22/76/68/1036227668.db2.gz HLXAJMMGAJHMIV-QRVBRYPASA-N 1 3 367.578 2.796 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C)C(C)C ZINC001229194055 1036545286 /nfs/dbraw/zinc/54/52/86/1036545286.db2.gz IMALADBMGKLMGA-QRVBRYPASA-N 1 3 364.534 2.866 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(COC)cc1 ZINC001229231015 1036566093 /nfs/dbraw/zinc/56/60/93/1036566093.db2.gz LEZSDRDXGPIGDX-WOJBJXKFSA-N 1 3 361.530 2.692 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)C1CCCC1 ZINC001229230483 1036566552 /nfs/dbraw/zinc/56/65/52/1036566552.db2.gz IHRQPGXSULJMHI-GUDVDZBRSA-N 1 3 353.551 2.550 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284812 1037195571 /nfs/dbraw/zinc/19/55/71/1037195571.db2.gz VYAUJKRIXMCNOT-IAGOWNOFSA-N 1 3 352.548 2.617 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(Cc1ccc3ncsc3c1)CC2 ZINC001277905534 1037230377 /nfs/dbraw/zinc/23/03/77/1037230377.db2.gz XRICIFBULUKRCQ-MRXNPFEDSA-N 1 3 372.538 2.576 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001207282389 1037316282 /nfs/dbraw/zinc/31/62/82/1037316282.db2.gz PGJGGEJVCRGOAI-HXUWFJFHSA-N 1 3 365.468 2.981 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001230642377 1037329184 /nfs/dbraw/zinc/32/91/84/1037329184.db2.gz DHYQMGWLTPPBEL-MIJOPJBOSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001230642377 1037329201 /nfs/dbraw/zinc/32/92/01/1037329201.db2.gz DHYQMGWLTPPBEL-MIJOPJBOSA-N 1 3 371.529 2.531 20 0 FFADHO CCc1cc(Br)ccc1CN1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235377809 1037517406 /nfs/dbraw/zinc/51/74/06/1037517406.db2.gz DJMSKFUUMAJEPJ-KBAYOESNSA-N 1 3 365.315 2.964 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]3CCCC3)C2)cc1 ZINC001235485473 1037582063 /nfs/dbraw/zinc/58/20/63/1037582063.db2.gz KWBKPEUQIWKLHV-NHCUHLMSSA-N 1 3 372.557 2.989 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001207616598 1037605586 /nfs/dbraw/zinc/60/55/86/1037605586.db2.gz AHIXLTXUCKIIQS-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001207616598 1037605594 /nfs/dbraw/zinc/60/55/94/1037605594.db2.gz AHIXLTXUCKIIQS-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO FC(F)(F)c1ccccc1OC1CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC001235675132 1037677515 /nfs/dbraw/zinc/67/75/15/1037677515.db2.gz OWUIQJUAXPGYOH-OAHLLOKOSA-N 1 3 358.404 2.927 20 0 FFADHO Brc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC001235689227 1037684422 /nfs/dbraw/zinc/68/44/22/1037684422.db2.gz BDXYQFOHOIALFO-UHFFFAOYSA-N 1 3 366.347 2.956 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC001207758196 1037699415 /nfs/dbraw/zinc/69/94/15/1037699415.db2.gz WSVLKIAXQVERMR-LVCYWYKZSA-N 1 3 371.569 2.958 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC001207758196 1037699428 /nfs/dbraw/zinc/69/94/28/1037699428.db2.gz WSVLKIAXQVERMR-LVCYWYKZSA-N 1 3 371.569 2.958 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235715274 1037705667 /nfs/dbraw/zinc/70/56/67/1037705667.db2.gz OXROEFPHCFJXEI-FQEVSTJZSA-N 1 3 364.537 2.803 20 0 FFADHO [NH3+]C12CC(CCN3CCN[C@@H](c4cccc(Br)c4)C3)(C1)C2 ZINC001235795620 1037748490 /nfs/dbraw/zinc/74/84/90/1037748490.db2.gz ODBOISISHATSML-KLAILNCOSA-N 1 3 350.304 2.667 20 0 FFADHO Brc1cccc([C@@H]2CN(CC[C@H]3CCC[NH2+]C3)CCN2)c1 ZINC001235796621 1037749207 /nfs/dbraw/zinc/74/92/07/1037749207.db2.gz TWUXIYBBFHWVMK-PBHICJAKSA-N 1 3 352.320 2.785 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN(Cc3ccc(-c4ccc(F)cc4F)nc3)C2)C1 ZINC001236079971 1037922512 /nfs/dbraw/zinc/92/25/12/1037922512.db2.gz UXTZUTYGIPMUFH-KRWDZBQOSA-N 1 3 358.436 2.634 20 0 FFADHO CCc1cc(Br)ccc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236126741 1037941688 /nfs/dbraw/zinc/94/16/88/1037941688.db2.gz CXVDDHBCTXUMNV-UHFFFAOYSA-N 1 3 366.347 2.881 20 0 FFADHO CN(Cc1ccc2c(c1)C[NH2+]C2)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001236232815 1037996524 /nfs/dbraw/zinc/99/65/24/1037996524.db2.gz DZHZUJIZJAVCOS-QFIPXVFZSA-N 1 3 351.494 2.623 20 0 FFADHO Fc1ccc(I)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320617 1038042099 /nfs/dbraw/zinc/04/20/99/1038042099.db2.gz RRHLLIKGUWUARE-TXEJJXNPSA-N 1 3 374.241 2.862 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001255594210 1038040328 /nfs/dbraw/zinc/04/03/28/1038040328.db2.gz OYBRWUAKUBCKER-IBGZPJMESA-N 1 3 374.529 2.893 20 0 FFADHO Fc1ccccc1CN(Cc1nc2c(s1)CNCC2)[C@@H]1CCC[NH2+]C1 ZINC001236354759 1038055972 /nfs/dbraw/zinc/05/59/72/1038055972.db2.gz LDGMYYVYSRRXHQ-OAHLLOKOSA-N 1 3 360.502 2.682 20 0 FFADHO COc1ccc(O[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC001236623383 1038159906 /nfs/dbraw/zinc/15/99/06/1038159906.db2.gz SXGYVIXZNJWECB-FQEVSTJZSA-N 1 3 353.466 2.779 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255941885 1038266654 /nfs/dbraw/zinc/26/66/54/1038266654.db2.gz YVPJDUDVDMPKNN-ROUUACIJSA-N 1 3 370.582 2.638 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]CCO[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255953547 1038271144 /nfs/dbraw/zinc/27/11/44/1038271144.db2.gz LKCPHGFPSXSJOR-SJORKVTESA-N 1 3 357.539 2.722 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001255962810 1038277814 /nfs/dbraw/zinc/27/78/14/1038277814.db2.gz ZSHFXZOSQJHLJH-LJQANCHMSA-N 1 3 361.578 2.971 20 0 FFADHO O=C(N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1)C(F)(F)F ZINC001255977137 1038285246 /nfs/dbraw/zinc/28/52/46/1038285246.db2.gz KQENJVBMYDZIFL-UHFFFAOYSA-N 1 3 361.452 2.926 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@H]1CCN(C(C)C)C[C@@H]1C ZINC001256000420 1038305906 /nfs/dbraw/zinc/30/59/06/1038305906.db2.gz OVFJNTNZWUXPEC-WMZOPIPTSA-N 1 3 370.534 2.750 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN(C1CC[NH+](C3CC3)CC1)CC2 ZINC001256075748 1038360362 /nfs/dbraw/zinc/36/03/62/1038360362.db2.gz CPVZDPRZLPLRBL-HXUWFJFHSA-N 1 3 373.541 2.962 20 0 FFADHO CCCN(CCC[NH+](C)C)Cc1ccc(F)c(N2CCN(C)CC2)c1 ZINC001236967647 1038386413 /nfs/dbraw/zinc/38/64/13/1038386413.db2.gz OPLMBKBYEZHHCG-UHFFFAOYSA-N 1 3 350.526 2.741 20 0 FFADHO CCC[N@H+](CCCN(C)C)Cc1ccc(F)c(N2CCN(C)CC2)c1 ZINC001236967647 1038386426 /nfs/dbraw/zinc/38/64/26/1038386426.db2.gz OPLMBKBYEZHHCG-UHFFFAOYSA-N 1 3 350.526 2.741 20 0 FFADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(F)c(N2CCN(C)CC2)c1 ZINC001236967647 1038386440 /nfs/dbraw/zinc/38/64/40/1038386440.db2.gz OPLMBKBYEZHHCG-UHFFFAOYSA-N 1 3 350.526 2.741 20 0 FFADHO CC[NH+]1CCC(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001208599962 1038439186 /nfs/dbraw/zinc/43/91/86/1038439186.db2.gz MWTOZZIQGZXVNG-UHFFFAOYSA-N 1 3 356.436 2.954 20 0 FFADHO CN(Cc1ccccn1)[C@H]1CCC[C@H]2C[N@H+](C[C@H]3CCCN(C)C3)C[C@H]21 ZINC001208608290 1038442598 /nfs/dbraw/zinc/44/25/98/1038442598.db2.gz PXPOWQKODSXGHQ-MPJJRAAHSA-N 1 3 356.558 2.956 20 0 FFADHO CN(Cc1ccccn1)[C@H]1CCC[C@H]2C[N@@H+](C[C@H]3CCCN(C)C3)C[C@H]21 ZINC001208608290 1038442601 /nfs/dbraw/zinc/44/26/01/1038442601.db2.gz PXPOWQKODSXGHQ-MPJJRAAHSA-N 1 3 356.558 2.956 20 0 FFADHO C[C@H]1C[C@@H](N2CCN(CCC(C)(C)O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256561181 1038560592 /nfs/dbraw/zinc/56/05/92/1038560592.db2.gz WADWQNOJTGSSMW-FPOVZHCZSA-N 1 3 359.558 2.818 20 0 FFADHO C[C@H]1C[C@@H](N2CCN(CCC(C)(C)O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256561181 1038560599 /nfs/dbraw/zinc/56/05/99/1038560599.db2.gz WADWQNOJTGSSMW-FPOVZHCZSA-N 1 3 359.558 2.818 20 0 FFADHO CN(C)C(=O)N1CCCC12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256570370 1038564087 /nfs/dbraw/zinc/56/40/87/1038564087.db2.gz HLHPGCFPOOQZGU-UHFFFAOYSA-N 1 3 350.551 2.861 20 0 FFADHO CC(C)(C)N1CCC([NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)CC1 ZINC001256570445 1038564284 /nfs/dbraw/zinc/56/42/84/1038564284.db2.gz KMNPGBMFQZPJII-LJQANCHMSA-N 1 3 370.541 2.783 20 0 FFADHO C[C@@H](CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1)C(F)(F)F ZINC001208886448 1038575604 /nfs/dbraw/zinc/57/56/04/1038575604.db2.gz CGYUSCIAFJVUCB-NUEKZKHPSA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678021 1038599533 /nfs/dbraw/zinc/59/95/33/1038599533.db2.gz JSHWTZKCDHCBQV-ABHNRTSZSA-N 1 3 367.534 2.619 20 0 FFADHO Fc1ccccc1Cn1cnc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256687045 1038602563 /nfs/dbraw/zinc/60/25/63/1038602563.db2.gz KVLITXWRTNYCEU-UHFFFAOYSA-N 1 3 372.488 2.804 20 0 FFADHO CCCN(CC[NH2+]C1CCC(N2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001256686145 1038602844 /nfs/dbraw/zinc/60/28/44/1038602844.db2.gz JYINFIWQRYWWRH-UHFFFAOYSA-N 1 3 369.550 2.867 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686653 1038602953 /nfs/dbraw/zinc/60/29/53/1038602953.db2.gz SBJPOMPXBBAPIT-OPQOLIRYSA-N 1 3 367.534 2.665 20 0 FFADHO c1cc2cc(CN3CCC4(CC[N@H+](Cc5cn[nH]c5)C4)CC3)cnc2[nH]1 ZINC001278987035 1038686452 /nfs/dbraw/zinc/68/64/52/1038686452.db2.gz MWWZKYLMYKSFPJ-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO c1cc2cc(CN3CCC4(CC[N@@H+](Cc5cn[nH]c5)C4)CC3)cnc2[nH]1 ZINC001278987035 1038686460 /nfs/dbraw/zinc/68/64/60/1038686460.db2.gz MWWZKYLMYKSFPJ-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO Cc1cc(=O)oc2cc(NC(=O)CCNC3CC[NH+](C(C)C)CC3)ccc12 ZINC001257211211 1038746221 /nfs/dbraw/zinc/74/62/21/1038746221.db2.gz FHHFMLHLFLEUSJ-UHFFFAOYSA-N 1 3 371.481 2.892 20 0 FFADHO C[NH+]1CCC2(CN(C[C@H](O)COCc3c(Cl)cccc3Cl)C2)CC1 ZINC001250903600 1038794915 /nfs/dbraw/zinc/79/49/15/1038794915.db2.gz LQMMMLYHNCHPCI-AWEZNQCLSA-N 1 3 373.324 2.899 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001251125710 1038958098 /nfs/dbraw/zinc/95/80/98/1038958098.db2.gz QVIHESRCMOTYFX-IRXDYDNUSA-N 1 3 367.493 2.992 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001251125710 1038958108 /nfs/dbraw/zinc/95/81/08/1038958108.db2.gz QVIHESRCMOTYFX-IRXDYDNUSA-N 1 3 367.493 2.992 20 0 FFADHO c1cc2c(cc1C1=CC[C@@H](N3CCOCC3)CC1)COC1(CC[NH2+]CC1)O2 ZINC001245427060 1039006433 /nfs/dbraw/zinc/00/64/33/1039006433.db2.gz UYJYICOKAHXKRI-HXUWFJFHSA-N 1 3 370.493 2.943 20 0 FFADHO C[C@H](c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)cc1)N1CC[NH2+]CC1 ZINC001245431477 1039010785 /nfs/dbraw/zinc/01/07/85/1039010785.db2.gz QRKFXXDPDSEEEX-XMSQKQJNSA-N 1 3 355.526 2.921 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)CC1 ZINC001258002483 1039103365 /nfs/dbraw/zinc/10/33/65/1039103365.db2.gz MYOAAOJLRVQLSI-IBGZPJMESA-N 1 3 369.513 2.554 20 0 FFADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(c3ncnc4ccccc43)C2)CC1 ZINC001258008192 1039105708 /nfs/dbraw/zinc/10/57/08/1039105708.db2.gz KAKGLTRDJXLXNL-GOSISDBHSA-N 1 3 353.514 2.919 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 ZINC001258012143 1039110395 /nfs/dbraw/zinc/11/03/95/1039110395.db2.gz TUYDIRAGLKVMRS-UHFFFAOYSA-N 1 3 370.541 2.535 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001245984563 1039176609 /nfs/dbraw/zinc/17/66/09/1039176609.db2.gz QVRBULDNQULACI-IKGGRYGDSA-N 1 3 367.493 2.896 20 0 FFADHO O[C@@H](COc1cccc(F)c1)CN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246045598 1039214756 /nfs/dbraw/zinc/21/47/56/1039214756.db2.gz LEAXGWHRUFTVGC-LJQANCHMSA-N 1 3 370.468 2.702 20 0 FFADHO COc1ccc(C[C@@H](C)N(Cc2ccccc2)C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001246050888 1039221482 /nfs/dbraw/zinc/22/14/82/1039221482.db2.gz GWVOFRCOXCSTEC-XMSQKQJNSA-N 1 3 354.494 2.853 20 0 FFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CNC[C@@H]2C)CC1 ZINC001246117642 1039247429 /nfs/dbraw/zinc/24/74/29/1039247429.db2.gz SHJCZYOLHCDTPS-RNJAEUJHSA-N 1 3 350.890 2.891 20 0 FFADHO CC1(C)C[C@@H](N[C@@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246272459 1039293836 /nfs/dbraw/zinc/29/38/36/1039293836.db2.gz PRTYDBZJUWNNEJ-LSDHHAIUSA-N 1 3 370.278 2.879 20 0 FFADHO CC1(C)C[C@@H]([NH2+][C@@H]2Cc3ccc(I)cc3C2)CCN1 ZINC001246272459 1039293839 /nfs/dbraw/zinc/29/38/39/1039293839.db2.gz PRTYDBZJUWNNEJ-LSDHHAIUSA-N 1 3 370.278 2.879 20 0 FFADHO OC[C@@]1([NH2+]C2CCC(c3ccc(Br)cc3)CC2)CCNC1 ZINC001246287713 1039298169 /nfs/dbraw/zinc/29/81/69/1039298169.db2.gz LEHKKKFRRXQBKJ-BDVYOWHSSA-N 1 3 353.304 2.789 20 0 FFADHO COc1cccc2c1C[C@H]([NH2+][C@H]1CCN[C@H](Cc3ccccc3)C1)CO2 ZINC001246314932 1039310709 /nfs/dbraw/zinc/31/07/09/1039310709.db2.gz CKBRFGMDOWMZJJ-OTWHNJEPSA-N 1 3 352.478 2.952 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCc4ccc(C)cc4C3)C[C@@H]1CNCCC2 ZINC001246600297 1039410265 /nfs/dbraw/zinc/41/02/65/1039410265.db2.gz DRMOPLXZOKBQDZ-VWPQPMDRSA-N 1 3 356.510 2.717 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCc4ccc(C)cc4C3)C[C@@H]1CNCCC2 ZINC001246600297 1039410273 /nfs/dbraw/zinc/41/02/73/1039410273.db2.gz DRMOPLXZOKBQDZ-VWPQPMDRSA-N 1 3 356.510 2.717 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246674659 1039434949 /nfs/dbraw/zinc/43/49/49/1039434949.db2.gz VKBKVCSGSKPRFW-VCOUNFBDSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246674659 1039434962 /nfs/dbraw/zinc/43/49/62/1039434962.db2.gz VKBKVCSGSKPRFW-VCOUNFBDSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246674659 1039434972 /nfs/dbraw/zinc/43/49/72/1039434972.db2.gz VKBKVCSGSKPRFW-VCOUNFBDSA-N 1 3 357.542 2.887 20 0 FFADHO CN(CCC[NH3+])[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246681349 1039438091 /nfs/dbraw/zinc/43/80/91/1039438091.db2.gz NSMMNWSHKCBIQE-BZUAXINKSA-N 1 3 370.534 2.735 20 0 FFADHO C[C@@H]1C[C@@H](N2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756735 1039467282 /nfs/dbraw/zinc/46/72/82/1039467282.db2.gz NUNOOBCTXYADHM-QMMLZNLJSA-N 1 3 361.505 2.885 20 0 FFADHO C[C@H]1C[C@@H](N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CC[NH2+]1 ZINC001246757883 1039467905 /nfs/dbraw/zinc/46/79/05/1039467905.db2.gz YWJVFAMVONXBAK-WCCBULMPSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246757883 1039467909 /nfs/dbraw/zinc/46/79/09/1039467909.db2.gz YWJVFAMVONXBAK-WCCBULMPSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246757883 1039467912 /nfs/dbraw/zinc/46/79/12/1039467912.db2.gz YWJVFAMVONXBAK-WCCBULMPSA-N 1 3 371.525 2.571 20 0 FFADHO CC(C)(C)[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)CCN1 ZINC001246757935 1039468978 /nfs/dbraw/zinc/46/89/78/1039468978.db2.gz MZZTXWMUYXCRQA-OJAHFUOMSA-N 1 3 373.516 2.883 20 0 FFADHO CC(C)(C)[C@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)CCN1 ZINC001246757935 1039468987 /nfs/dbraw/zinc/46/89/87/1039468987.db2.gz MZZTXWMUYXCRQA-OJAHFUOMSA-N 1 3 373.516 2.883 20 0 FFADHO Clc1cccc(CN2CCN(C3CCC4(CC3)C[NH2+]CCO4)CC2)c1 ZINC001246784730 1039480881 /nfs/dbraw/zinc/48/08/81/1039480881.db2.gz YTHJNWLRTQPOLN-UHFFFAOYSA-N 1 3 363.933 2.759 20 0 FFADHO C[C@@H]1C[C@H](N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC(C)(C)C1 ZINC001258695695 1039484173 /nfs/dbraw/zinc/48/41/73/1039484173.db2.gz FRNDWZWMCLJACL-CABCVRRESA-N 1 3 362.518 2.539 20 0 FFADHO CCCC[C@@H](CCC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258761379 1039501987 /nfs/dbraw/zinc/50/19/87/1039501987.db2.gz JPUKTLPAAONPPV-OAHLLOKOSA-N 1 3 350.507 2.683 20 0 FFADHO CCC[NH+]1CCC(N2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)CC1 ZINC001258773043 1039507541 /nfs/dbraw/zinc/50/75/41/1039507541.db2.gz BYAUPTAMIGBMAE-ZWKOTPCHSA-N 1 3 362.543 2.501 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC001252931830 1039809713 /nfs/dbraw/zinc/80/97/13/1039809713.db2.gz NGARMIALUCAGEO-KRWDZBQOSA-N 1 3 360.546 2.761 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC001252931830 1039809728 /nfs/dbraw/zinc/80/97/28/1039809728.db2.gz NGARMIALUCAGEO-KRWDZBQOSA-N 1 3 360.546 2.761 20 0 FFADHO O[C@@]1(CNCCN2CCCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC001252946041 1039840989 /nfs/dbraw/zinc/84/09/89/1039840989.db2.gz MWAWFHHXFJHREL-HSZRJFAPSA-N 1 3 365.521 2.666 20 0 FFADHO O[C@@]1(CNCCN2CCCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946041 1039841016 /nfs/dbraw/zinc/84/10/16/1039841016.db2.gz MWAWFHHXFJHREL-HSZRJFAPSA-N 1 3 365.521 2.666 20 0 FFADHO CC(C)(CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncccc1F ZINC001252953345 1039868436 /nfs/dbraw/zinc/86/84/36/1039868436.db2.gz MGEYPNISTLTFJP-NRFANRHFSA-N 1 3 357.473 2.725 20 0 FFADHO CC(C)(CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncccc1F ZINC001252953345 1039868466 /nfs/dbraw/zinc/86/84/66/1039868466.db2.gz MGEYPNISTLTFJP-NRFANRHFSA-N 1 3 357.473 2.725 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+]Cc1c[nH]c2ccc(Br)cc12 ZINC001253209674 1040048049 /nfs/dbraw/zinc/04/80/49/1040048049.db2.gz CZIZRIZTWMJSNO-CQSZACIVSA-N 1 3 354.292 2.723 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211336695 1040087010 /nfs/dbraw/zinc/08/70/10/1040087010.db2.gz CLGCRSJRZHBSNY-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211336695 1040087025 /nfs/dbraw/zinc/08/70/25/1040087025.db2.gz CLGCRSJRZHBSNY-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001211343947 1040091674 /nfs/dbraw/zinc/09/16/74/1040091674.db2.gz UNHADRQIRATAFY-YLJYHZDGSA-N 1 3 359.514 2.508 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C2)cc1 ZINC001248090630 1040123459 /nfs/dbraw/zinc/12/34/59/1040123459.db2.gz RYWUEWVHERBDBC-KRWDZBQOSA-N 1 3 361.449 2.767 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C2)cc1 ZINC001248090630 1040123472 /nfs/dbraw/zinc/12/34/72/1040123472.db2.gz RYWUEWVHERBDBC-KRWDZBQOSA-N 1 3 361.449 2.767 20 0 FFADHO CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)C[C@H](O)CNC(C)(C)C)CC1 ZINC001253395661 1040151082 /nfs/dbraw/zinc/15/10/82/1040151082.db2.gz KFGUKRHJPGTDEP-KZNAEPCWSA-N 1 3 356.551 2.817 20 0 FFADHO CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C[C@H](O)CNC(C)(C)C)CC1 ZINC001253395661 1040151085 /nfs/dbraw/zinc/15/10/85/1040151085.db2.gz KFGUKRHJPGTDEP-KZNAEPCWSA-N 1 3 356.551 2.817 20 0 FFADHO CCOC(=O)C[C@H]1CC[C@H](CN(CC)C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253395661 1040151091 /nfs/dbraw/zinc/15/10/91/1040151091.db2.gz KFGUKRHJPGTDEP-KZNAEPCWSA-N 1 3 356.551 2.817 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001253405169 1040156764 /nfs/dbraw/zinc/15/67/64/1040156764.db2.gz RDDRZKAZAKDKFY-BBWFWOEESA-N 1 3 371.566 2.799 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001253405169 1040156778 /nfs/dbraw/zinc/15/67/78/1040156778.db2.gz RDDRZKAZAKDKFY-BBWFWOEESA-N 1 3 371.566 2.799 20 0 FFADHO [NH3+][C@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1cccc(Cl)c1 ZINC001248259188 1040196373 /nfs/dbraw/zinc/19/63/73/1040196373.db2.gz KLDMDEHCUBUYNE-CQSZACIVSA-N 1 3 355.829 2.673 20 0 FFADHO OC1(CN2CCN(c3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254029052 1040530484 /nfs/dbraw/zinc/53/04/84/1040530484.db2.gz BYVAHTCOTHUWOJ-UHFFFAOYSA-N 1 3 365.521 2.836 20 0 FFADHO OC1(C[NH+]2CCN(c3ccccc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254029052 1040530499 /nfs/dbraw/zinc/53/04/99/1040530499.db2.gz BYVAHTCOTHUWOJ-UHFFFAOYSA-N 1 3 365.521 2.836 20 0 FFADHO COC(=O)c1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254047560 1040547931 /nfs/dbraw/zinc/54/79/31/1040547931.db2.gz TVWQSFWGRBXLGO-UHFFFAOYSA-N 1 3 368.477 2.590 20 0 FFADHO C[C@](CO)([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001254053217 1040555207 /nfs/dbraw/zinc/55/52/07/1040555207.db2.gz JJUGVRTVWWYGNO-OAQYLSRUSA-N 1 3 354.494 2.511 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001213574908 1040686539 /nfs/dbraw/zinc/68/65/39/1040686539.db2.gz PHFVBRAVNDBLQC-NHQAVIFJSA-N 1 3 359.514 2.534 20 0 FFADHO CCOC(=O)CN1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC001254397243 1040698488 /nfs/dbraw/zinc/69/84/88/1040698488.db2.gz JRCYDQNAEMNEFY-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974345 1041130551 /nfs/dbraw/zinc/13/05/51/1041130551.db2.gz VLBYNOQSJWIPBT-WOJBJXKFSA-N 1 3 365.562 2.648 20 0 FFADHO c1c[nH]c(C[NH2+][C@@]23CC[C@@](NCc4c[nH]c5nccnc45)(C2)CCC3)c1 ZINC001278848959 1041192919 /nfs/dbraw/zinc/19/29/19/1041192919.db2.gz ZTHPWXHPOIZDNM-UXHICEINSA-N 1 3 350.470 2.962 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1(C)C ZINC001262040132 1041524199 /nfs/dbraw/zinc/52/41/99/1041524199.db2.gz GIQDINNOYFPWCZ-LAUBAEHRSA-N 1 3 365.562 2.776 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001214754983 1041563686 /nfs/dbraw/zinc/56/36/86/1041563686.db2.gz NBTCZRRTBOHIHG-ZTFGCOKTSA-N 1 3 369.912 2.956 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC001214996708 1041638559 /nfs/dbraw/zinc/63/85/59/1041638559.db2.gz BXZBKMRHUVIPPM-SJLPKXTDSA-N 1 3 361.530 2.670 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC001214999474 1041639703 /nfs/dbraw/zinc/63/97/03/1041639703.db2.gz IVKOCMMVVKQHJY-IEBWSBKVSA-N 1 3 361.530 2.622 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1ccc(Cl)cc1F ZINC001215413727 1041774967 /nfs/dbraw/zinc/77/49/67/1041774967.db2.gz JXJYYRFRYSHORV-CXAGYDPISA-N 1 3 367.896 2.757 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](OCC)C2CC2)C1 ZINC001215973133 1041920426 /nfs/dbraw/zinc/92/04/26/1041920426.db2.gz SINUVGWLZXBHHZ-MISYRCLQSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)(C[NH3+])C1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC001263233950 1042189745 /nfs/dbraw/zinc/18/97/45/1042189745.db2.gz IKHFVHYTQYYBQB-GOSISDBHSA-N 1 3 358.530 2.517 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C[NH2+]CCC(C)C ZINC001263972055 1042557821 /nfs/dbraw/zinc/55/78/21/1042557821.db2.gz ONAPIEIFSBWVOO-HSALFYBXSA-N 1 3 367.578 2.749 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCc1scnc1C)N(C)C ZINC001264002130 1042575644 /nfs/dbraw/zinc/57/56/44/1042575644.db2.gz WTLIPXHVXXSNBQ-PVAVHDDUSA-N 1 3 366.575 2.551 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CCN1CCc1ccccc1F ZINC001264067507 1042610847 /nfs/dbraw/zinc/61/08/47/1042610847.db2.gz GWHJVTBEDCMOFU-XUVXKRRUSA-N 1 3 363.521 2.924 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1CCc1ccccc1F ZINC001264067507 1042610848 /nfs/dbraw/zinc/61/08/48/1042610848.db2.gz GWHJVTBEDCMOFU-XUVXKRRUSA-N 1 3 363.521 2.924 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1CCc1ccccc1F ZINC001264067507 1042610851 /nfs/dbraw/zinc/61/08/51/1042610851.db2.gz GWHJVTBEDCMOFU-XUVXKRRUSA-N 1 3 363.521 2.924 20 0 FFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001264464895 1042682948 /nfs/dbraw/zinc/68/29/48/1042682948.db2.gz XCRRPPKJWNJJPU-QFBILLFUSA-N 1 3 361.505 2.993 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cncs1 ZINC001264552348 1042711933 /nfs/dbraw/zinc/71/19/33/1042711933.db2.gz UEOKTPMYDQEODH-VYDXJSESSA-N 1 3 370.538 2.540 20 0 FFADHO COC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001264566732 1042719469 /nfs/dbraw/zinc/71/94/69/1042719469.db2.gz FYOMIBAUYNCNEC-UWVAXJGDSA-N 1 3 361.530 2.613 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCOc1c(C)cccc1C ZINC001264617606 1042749858 /nfs/dbraw/zinc/74/98/58/1042749858.db2.gz VEHLTYOIAQRSTP-RBUKOAKNSA-N 1 3 361.530 2.603 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1C(F)(F)F ZINC001279146360 1042919666 /nfs/dbraw/zinc/91/96/66/1042919666.db2.gz SWHNABNTOZMVLZ-IRXDYDNUSA-N 1 3 371.447 2.924 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1C(F)(F)F ZINC001279146360 1042919667 /nfs/dbraw/zinc/91/96/67/1042919667.db2.gz SWHNABNTOZMVLZ-IRXDYDNUSA-N 1 3 371.447 2.924 20 0 FFADHO COc1cc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)ccc1O ZINC001279185075 1042936820 /nfs/dbraw/zinc/93/68/20/1042936820.db2.gz FRAKZYOBTBWDGM-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO COc1cc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)ccc1O ZINC001279185075 1042936823 /nfs/dbraw/zinc/93/68/23/1042936823.db2.gz FRAKZYOBTBWDGM-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO c1cn(CC[NH2+][C@]23CC[C@](NCCOc4ccccc4)(C2)CCC3)cn1 ZINC001279247547 1042964878 /nfs/dbraw/zinc/96/48/78/1042964878.db2.gz MOHBJUMKLVGTND-RTWAWAEBSA-N 1 3 354.498 2.987 20 0 FFADHO CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCCCC1 ZINC001279275438 1042979194 /nfs/dbraw/zinc/97/91/94/1042979194.db2.gz OWMGGOZTKGYYDR-IHWFROFDSA-N 1 3 359.562 2.864 20 0 FFADHO CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1CCCCC1 ZINC001279275438 1042979195 /nfs/dbraw/zinc/97/91/95/1042979195.db2.gz OWMGGOZTKGYYDR-IHWFROFDSA-N 1 3 359.562 2.864 20 0 FFADHO Cc1ccc(O)c(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)n1 ZINC001279303042 1042991301 /nfs/dbraw/zinc/99/13/01/1042991301.db2.gz WCXCTWKAXCDVPE-UHFFFAOYSA-N 1 3 355.486 2.697 20 0 FFADHO COc1cc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cc(F)c1F ZINC001279367241 1043031454 /nfs/dbraw/zinc/03/14/54/1043031454.db2.gz WNBHWILYPQDVPX-FQEVSTJZSA-N 1 3 367.484 2.823 20 0 FFADHO Cc1ccc(F)c(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)c1 ZINC001279378125 1043037449 /nfs/dbraw/zinc/03/74/49/1043037449.db2.gz QRULWMUGTMFDPP-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3cn(C)nc3C3CC3)C2)C1 ZINC001279554922 1043250625 /nfs/dbraw/zinc/25/06/25/1043250625.db2.gz LPDVKLVKBYDWOS-NRFANRHFSA-N 1 3 359.562 2.537 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cn(C)nc3C3CC3)C2)C1 ZINC001279554922 1043250637 /nfs/dbraw/zinc/25/06/37/1043250637.db2.gz LPDVKLVKBYDWOS-NRFANRHFSA-N 1 3 359.562 2.537 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001279590993 1043305584 /nfs/dbraw/zinc/30/55/84/1043305584.db2.gz JSTKNNFHHNOIBN-QFBILLFUSA-N 1 3 355.530 2.657 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001279590993 1043305590 /nfs/dbraw/zinc/30/55/90/1043305590.db2.gz JSTKNNFHHNOIBN-QFBILLFUSA-N 1 3 355.530 2.657 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001279590993 1043305598 /nfs/dbraw/zinc/30/55/98/1043305598.db2.gz JSTKNNFHHNOIBN-QFBILLFUSA-N 1 3 355.530 2.657 20 0 FFADHO C[NH+](C)CCN1CCO[C@]2(CCCN(CCc3cccc(Cl)c3)C2)C1 ZINC001279610899 1043336592 /nfs/dbraw/zinc/33/65/92/1043336592.db2.gz NLPFHWWOGNJOIJ-FQEVSTJZSA-N 1 3 365.949 2.611 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4cc(F)ccn4)C[C@H]3CC2)n(C)n1 ZINC001279628582 1043365362 /nfs/dbraw/zinc/36/53/62/1043365362.db2.gz SKXINODOJFBTLR-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4cc(F)ccn4)C[C@H]3CC2)n(C)n1 ZINC001279628582 1043365370 /nfs/dbraw/zinc/36/53/70/1043365370.db2.gz SKXINODOJFBTLR-CALCHBBNSA-N 1 3 357.477 2.607 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cnccc3Cl)CC2)C1 ZINC001279656188 1043411104 /nfs/dbraw/zinc/41/11/04/1043411104.db2.gz RTYSWXFSMQGHAN-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cnccc3Cl)CC2)C1 ZINC001279656188 1043411109 /nfs/dbraw/zinc/41/11/09/1043411109.db2.gz RTYSWXFSMQGHAN-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001279659472 1043418079 /nfs/dbraw/zinc/41/80/79/1043418079.db2.gz SVRAFASDFMJDCW-PMACEKPBSA-N 1 3 373.932 2.736 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001279659472 1043418085 /nfs/dbraw/zinc/41/80/85/1043418085.db2.gz SVRAFASDFMJDCW-PMACEKPBSA-N 1 3 373.932 2.736 20 0 FFADHO Nc1ncc(CN2CCC3(CCC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)s1 ZINC001279693293 1043481417 /nfs/dbraw/zinc/48/14/17/1043481417.db2.gz DNJOMKPSNJWYKR-UHFFFAOYSA-N 1 3 373.526 2.704 20 0 FFADHO Nc1ncc(CN2CCC3(CCC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)s1 ZINC001279693293 1043481420 /nfs/dbraw/zinc/48/14/20/1043481420.db2.gz DNJOMKPSNJWYKR-UHFFFAOYSA-N 1 3 373.526 2.704 20 0 FFADHO CN1CCO[C@]2(CCCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001278176394 1043484046 /nfs/dbraw/zinc/48/40/46/1043484046.db2.gz VRLBAASPEQECRU-FCHUYYIVSA-N 1 3 357.542 2.695 20 0 FFADHO CN1CCO[C@]2(CCCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001278176394 1043484053 /nfs/dbraw/zinc/48/40/53/1043484053.db2.gz VRLBAASPEQECRU-FCHUYYIVSA-N 1 3 357.542 2.695 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3cnn4ccccc34)C2)C1 ZINC001279716805 1043518714 /nfs/dbraw/zinc/51/87/14/1043518714.db2.gz QKMBWJSXKFSYQE-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cnn4ccccc34)C2)C1 ZINC001279716805 1043518721 /nfs/dbraw/zinc/51/87/21/1043518721.db2.gz QKMBWJSXKFSYQE-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO c1cn(CC[N@H+]2CC[C@]3(C2)CCCN(CCCc2ccncc2)C3)cn1 ZINC001278264737 1043815393 /nfs/dbraw/zinc/81/53/93/1043815393.db2.gz LWYZJUYPPMCCBN-OAQYLSRUSA-N 1 3 353.514 2.699 20 0 FFADHO c1cn(CC[N@@H+]2CC[C@]3(C2)CCCN(CCCc2ccncc2)C3)cn1 ZINC001278264737 1043815408 /nfs/dbraw/zinc/81/54/08/1043815408.db2.gz LWYZJUYPPMCCBN-OAQYLSRUSA-N 1 3 353.514 2.699 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3)c1ccccc1 ZINC001311420818 1043914872 /nfs/dbraw/zinc/91/48/72/1043914872.db2.gz NESZKJYKGIWOSQ-ILWGZMRPSA-N 1 3 370.541 2.807 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)c1ccccc1 ZINC001311420818 1043914876 /nfs/dbraw/zinc/91/48/76/1043914876.db2.gz NESZKJYKGIWOSQ-ILWGZMRPSA-N 1 3 370.541 2.807 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC001312219884 1044072402 /nfs/dbraw/zinc/07/24/02/1044072402.db2.gz UVRHISFRTKDXRI-DSJDWBEOSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC001312219884 1044072415 /nfs/dbraw/zinc/07/24/15/1044072415.db2.gz UVRHISFRTKDXRI-DSJDWBEOSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC001312823312 1044176672 /nfs/dbraw/zinc/17/66/72/1044176672.db2.gz JOSJVKVZJAABQZ-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001312823312 1044176675 /nfs/dbraw/zinc/17/66/75/1044176675.db2.gz JOSJVKVZJAABQZ-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO COc1c(Cl)ccc(F)c1CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001280127380 1044262535 /nfs/dbraw/zinc/26/25/35/1044262535.db2.gz OASRGJCJOZPOJS-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313858451 1044432557 /nfs/dbraw/zinc/43/25/57/1044432557.db2.gz APLOEBVNLJGTKJ-ZIFCJYIRSA-N 1 3 362.566 2.626 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313858451 1044432560 /nfs/dbraw/zinc/43/25/60/1044432560.db2.gz APLOEBVNLJGTKJ-ZIFCJYIRSA-N 1 3 362.566 2.626 20 0 FFADHO COc1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)cc1CN(C)C ZINC001240816817 1044438075 /nfs/dbraw/zinc/43/80/75/1044438075.db2.gz IHZCHZSJDBESDM-UHFFFAOYSA-N 1 3 365.477 2.997 20 0 FFADHO CN1CCN(c2ccc(-c3ccc(CN4CC[C@@H]([NH3+])C4)cc3)cc2)CC1 ZINC001240855239 1044452069 /nfs/dbraw/zinc/45/20/69/1044452069.db2.gz SFVKJFOTQKZOIZ-OAQYLSRUSA-N 1 3 350.510 2.638 20 0 FFADHO O=C(N1CC2(C1)CN(C1CCCC1)C2)N1CCC([NH+]2CCCCC2)CC1 ZINC001280311235 1044583750 /nfs/dbraw/zinc/58/37/50/1044583750.db2.gz FNJBZADLKQWNSW-UHFFFAOYSA-N 1 3 360.546 2.617 20 0 FFADHO COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001316794357 1045002237 /nfs/dbraw/zinc/00/22/37/1045002237.db2.gz JDGUEWBTIFBBPB-QYZOEREBSA-N 1 3 353.551 2.647 20 0 FFADHO COCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001316794357 1045002246 /nfs/dbraw/zinc/00/22/46/1045002246.db2.gz JDGUEWBTIFBBPB-QYZOEREBSA-N 1 3 353.551 2.647 20 0 FFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC001321849528 1045837867 /nfs/dbraw/zinc/83/78/67/1045837867.db2.gz LJHZAAWJRJUZSG-PVAVHDDUSA-N 1 3 369.431 2.898 20 0 FFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC001321849528 1045837891 /nfs/dbraw/zinc/83/78/91/1045837891.db2.gz LJHZAAWJRJUZSG-PVAVHDDUSA-N 1 3 369.431 2.898 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001322740295 1046206713 /nfs/dbraw/zinc/20/67/13/1046206713.db2.gz IYXNHMYOHQFKKN-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325355354 1046481125 /nfs/dbraw/zinc/48/11/25/1046481125.db2.gz WLDGXYUVVVMDPO-AZUAARDMSA-N 1 3 370.541 2.997 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc2)cn1 ZINC001326827859 1047104238 /nfs/dbraw/zinc/10/42/38/1047104238.db2.gz OFMDSXNUHZOZSM-GOSISDBHSA-N 1 3 354.498 2.678 20 0 FFADHO CCCOCc1ccccc1CNC(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001327090255 1047185267 /nfs/dbraw/zinc/18/52/67/1047185267.db2.gz RSGZBOIQCJEWMV-UHFFFAOYSA-N 1 3 373.541 2.695 20 0 FFADHO CC(C)Oc1ccccc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331455984 1047948632 /nfs/dbraw/zinc/94/86/32/1047948632.db2.gz RBQWDXZCGCWJQC-ZHALLVOQSA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)Oc1ccccc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001331455984 1047948640 /nfs/dbraw/zinc/94/86/40/1047948640.db2.gz RBQWDXZCGCWJQC-ZHALLVOQSA-N 1 3 361.530 2.751 20 0 FFADHO O=C(C1CCN(C[C@@H]2CCC[NH2+]C2)CC1)N(Cc1ccccc1)C1CC1 ZINC001327865364 1048071609 /nfs/dbraw/zinc/07/16/09/1048071609.db2.gz QELFSLYQBXNUNA-LJQANCHMSA-N 1 3 355.526 2.889 20 0 FFADHO CCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001328463905 1048313051 /nfs/dbraw/zinc/31/30/51/1048313051.db2.gz DEHGKEJZOJTRGK-FQEVSTJZSA-N 1 3 358.530 2.674 20 0 FFADHO CCC[N@H+]1CCCC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001328463905 1048313067 /nfs/dbraw/zinc/31/30/67/1048313067.db2.gz DEHGKEJZOJTRGK-FQEVSTJZSA-N 1 3 358.530 2.674 20 0 FFADHO CCC[N@H+](CC)CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001294516215 1049762585 /nfs/dbraw/zinc/76/25/85/1049762585.db2.gz ONRBHTNPJDXNER-IAGOWNOFSA-N 1 3 362.566 2.806 20 0 FFADHO CCC[N@@H+](CC)CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001294516215 1049762591 /nfs/dbraw/zinc/76/25/91/1049762591.db2.gz ONRBHTNPJDXNER-IAGOWNOFSA-N 1 3 362.566 2.806 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001295981375 1050008146 /nfs/dbraw/zinc/00/81/46/1050008146.db2.gz UCUXGYPQQOMFKU-SJORKVTESA-N 1 3 364.582 2.908 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001296392551 1050056180 /nfs/dbraw/zinc/05/61/80/1050056180.db2.gz HEVLHNNKULKANM-MOPGFXCFSA-N 1 3 361.530 2.706 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cc21 ZINC001341568898 1050195392 /nfs/dbraw/zinc/19/53/92/1050195392.db2.gz DJDOHCAHIFJMMK-KRWDZBQOSA-N 1 3 353.470 2.567 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)N(C)C)cc1 ZINC001341629967 1050257853 /nfs/dbraw/zinc/25/78/53/1050257853.db2.gz NRYUEOLFBRGDCB-MXEMCNAFSA-N 1 3 373.541 2.515 20 0 FFADHO [NH3+][C@H]1CCOC2(CC(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC001341663068 1050287215 /nfs/dbraw/zinc/28/72/15/1050287215.db2.gz PCIDVNIZGSHSOL-KBNVZVJVSA-N 1 3 371.525 2.616 20 0 FFADHO C[C@H](C(=O)N1CCC2(C[NH2+]C2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001342078619 1050674297 /nfs/dbraw/zinc/67/42/97/1050674297.db2.gz WTLBTATWRCNGSE-GOSISDBHSA-N 1 3 355.526 2.542 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3C[C@H]3C3CCCC3)CC2)CC1 ZINC001340629581 1051007106 /nfs/dbraw/zinc/00/71/06/1051007106.db2.gz IQZWNZCHVDSZDY-PXNSSMCTSA-N 1 3 362.562 2.671 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc(Cl)n1 ZINC001342704675 1051320062 /nfs/dbraw/zinc/32/00/62/1051320062.db2.gz AEJFGDGBBMBYPR-KOHRHEQBSA-N 1 3 364.921 2.957 20 0 FFADHO [NH3+][C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1C(F)(F)F ZINC001341074526 1051418440 /nfs/dbraw/zinc/41/84/40/1051418440.db2.gz NWSJUENABTXLFM-HOTGVXAUSA-N 1 3 355.404 2.634 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC001341470527 1051827156 /nfs/dbraw/zinc/82/71/56/1051827156.db2.gz WZKVOPOLGXQJOH-KNQAVFIVSA-N 1 3 365.477 2.734 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc3c2OCCNC3)CC1 ZINC001343373006 1052190589 /nfs/dbraw/zinc/19/05/89/1052190589.db2.gz BPAHNUNNLZLFRG-UHFFFAOYSA-N 1 3 359.514 2.753 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc3c2OCCNC3)CC1 ZINC001343373006 1052190591 /nfs/dbraw/zinc/19/05/91/1052190591.db2.gz BPAHNUNNLZLFRG-UHFFFAOYSA-N 1 3 359.514 2.753 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(CC[NH3+])cc1 ZINC001343485432 1052259230 /nfs/dbraw/zinc/25/92/30/1052259230.db2.gz FDDCOIJUFSBOJQ-UHFFFAOYSA-N 1 3 361.436 2.670 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001308554354 1052468619 /nfs/dbraw/zinc/46/86/19/1052468619.db2.gz OSIBFEMLAMWFHB-FVQBIDKESA-N 1 3 358.438 2.658 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC001335350847 1053311304 /nfs/dbraw/zinc/31/13/04/1053311304.db2.gz KIFDVNFWESFVBD-IYOUNJFTSA-N 1 3 358.885 2.992 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC2CC3(CC([NH3+])C3)C2)N(C)C)cc1 ZINC001335570667 1053442171 /nfs/dbraw/zinc/44/21/71/1053442171.db2.gz QIKKDGVHQOZRFA-IDWHDZOISA-N 1 3 362.543 2.580 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001336270942 1053886128 /nfs/dbraw/zinc/88/61/28/1053886128.db2.gz GTMJVICJNLHRQI-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@H](C)N1CCN(c2nnc(C3CC[NH+](C)CC3)n2CC(C)C)CC1 ZINC001347680356 1054221640 /nfs/dbraw/zinc/22/16/40/1054221640.db2.gz OUQUZZQMIWOXPC-KRWDZBQOSA-N 1 3 362.566 2.664 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)N(C)C)cc1 ZINC001336891736 1054319931 /nfs/dbraw/zinc/31/99/31/1054319931.db2.gz PJQVOEFFMUBPTP-PZJWPPBQSA-N 1 3 374.529 2.614 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)N(C)C)cc1 ZINC001336891735 1054320092 /nfs/dbraw/zinc/32/00/92/1054320092.db2.gz PJQVOEFFMUBPTP-FPOVZHCZSA-N 1 3 374.529 2.614 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCN(Cc4ccccc4F)C3=O)C[C@H]2C1 ZINC001356058008 1055252163 /nfs/dbraw/zinc/25/21/63/1055252163.db2.gz WFMAAMDPWKYWIK-BHIYHBOVSA-N 1 3 374.504 2.683 20 0 FFADHO CCC1([NH+]2CCCCC2)CCN(c2nnc([C@H]3CCCN(C)C3)n2C)CC1 ZINC001338487478 1055559493 /nfs/dbraw/zinc/55/94/93/1055559493.db2.gz CXQZFPDAQYBJKB-SFHVURJKSA-N 1 3 374.577 2.859 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)N2CCCC2)cc1 ZINC001338491947 1055565420 /nfs/dbraw/zinc/56/54/20/1055565420.db2.gz QEVRFHCVNWVOFU-IHPCNDPISA-N 1 3 358.530 2.758 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC1 ZINC001357261326 1055847603 /nfs/dbraw/zinc/84/76/03/1055847603.db2.gz IUZXXHIDCDDUBA-MMOPVJDHSA-N 1 3 371.529 2.520 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001338922408 1055936378 /nfs/dbraw/zinc/93/63/78/1055936378.db2.gz LINOQNPCMKFQEE-WOJBJXKFSA-N 1 3 360.546 2.675 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC001200203952 1056027436 /nfs/dbraw/zinc/02/74/36/1056027436.db2.gz LERXLPRMCNPQRP-MRXNPFEDSA-N 1 3 373.463 2.991 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001357856443 1056041319 /nfs/dbraw/zinc/04/13/19/1056041319.db2.gz PBBONVHQPKNZEZ-MOPGFXCFSA-N 1 3 357.498 2.846 20 0 FFADHO CCOc1ccccc1[C@H](N)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001353449030 1056415612 /nfs/dbraw/zinc/41/56/12/1056415612.db2.gz YZKPEJRBRUCKRC-RTBURBONSA-N 1 3 355.482 2.894 20 0 FFADHO COc1nc2ccccc2cc1CN[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001200345600 1056427846 /nfs/dbraw/zinc/42/78/46/1056427846.db2.gz IKECHQQMUOJZDC-GOSISDBHSA-N 1 3 354.498 2.502 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001499166832 1058254027 /nfs/dbraw/zinc/25/40/27/1058254027.db2.gz KDGKWPIORSECDJ-GOSISDBHSA-N 1 3 374.577 2.780 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001513921167 1058669734 /nfs/dbraw/zinc/66/97/34/1058669734.db2.gz BZAJCIPHXAEPBQ-QGZVFWFLSA-N 1 3 362.566 2.635 20 0 FFADHO C[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1 ZINC001354684196 1059360122 /nfs/dbraw/zinc/36/01/22/1059360122.db2.gz WUEPTLLWUPMDMQ-LBPRGKRZSA-N 1 3 352.442 2.570 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@]4(CC4(F)F)C3)CC2)CC1 ZINC000848245817 1059469297 /nfs/dbraw/zinc/46/92/97/1059469297.db2.gz PVEHBTHIUBIHTQ-LJQANCHMSA-N 1 3 369.500 2.831 20 0 FFADHO Cc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)c1 ZINC001507079354 1059594745 /nfs/dbraw/zinc/59/47/45/1059594745.db2.gz KRGURANKDRCIEH-ZMSDIMECSA-N 1 3 351.922 2.925 20 0 FFADHO Cc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001507079354 1059594767 /nfs/dbraw/zinc/59/47/67/1059594767.db2.gz KRGURANKDRCIEH-ZMSDIMECSA-N 1 3 351.922 2.925 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001515814697 1059816421 /nfs/dbraw/zinc/81/64/21/1059816421.db2.gz LKGZYSNAWWFVAW-IRXDYDNUSA-N 1 3 360.550 2.560 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc(Cl)n1 ZINC001355222494 1060006262 /nfs/dbraw/zinc/00/62/62/1060006262.db2.gz VNFITCMTYOUZDH-HLIPFELVSA-N 1 3 372.900 2.609 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000848569154 1060291702 /nfs/dbraw/zinc/29/17/02/1060291702.db2.gz CKZLQPMBDLEUQM-CWJKEVGVSA-N 1 3 369.509 2.860 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000848569154 1060291728 /nfs/dbraw/zinc/29/17/28/1060291728.db2.gz CKZLQPMBDLEUQM-CWJKEVGVSA-N 1 3 369.509 2.860 20 0 FFADHO Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[C@@H]([NH3+])CCO3)N2CCCC2)cc1 ZINC001521463713 1060604254 /nfs/dbraw/zinc/60/42/54/1060604254.db2.gz MPAIVHDUKYTLTH-KBNVZVJVSA-N 1 3 371.525 2.535 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001477865234 1061821831 /nfs/dbraw/zinc/82/18/31/1061821831.db2.gz JLIZXLSACSYOML-VQTJNVASSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001477865234 1061821857 /nfs/dbraw/zinc/82/18/57/1061821857.db2.gz JLIZXLSACSYOML-VQTJNVASSA-N 1 3 358.530 2.743 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001478984765 1062173050 /nfs/dbraw/zinc/17/30/50/1062173050.db2.gz SITMAKAOWXBNQU-GOSISDBHSA-N 1 3 350.551 2.909 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001478984765 1062173060 /nfs/dbraw/zinc/17/30/60/1062173060.db2.gz SITMAKAOWXBNQU-GOSISDBHSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC001479157718 1062257560 /nfs/dbraw/zinc/25/75/60/1062257560.db2.gz VJXXNEBQGGHUBI-PMACEKPBSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)C2)cc1 ZINC001479157718 1062257581 /nfs/dbraw/zinc/25/75/81/1062257581.db2.gz VJXXNEBQGGHUBI-PMACEKPBSA-N 1 3 358.530 2.693 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001479587159 1062589961 /nfs/dbraw/zinc/58/99/61/1062589961.db2.gz YCHNGCYCAHJCBP-WBVHZDCISA-N 1 3 366.937 2.792 20 0 FFADHO CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@H]1CCN(CCOC2CCC2)C1 ZINC001493952109 1063257475 /nfs/dbraw/zinc/25/74/75/1063257475.db2.gz PZCXIHCABRLLJB-YSIASYRMSA-N 1 3 365.562 2.599 20 0 FFADHO CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[C@H]1CCN(CCOC2CCC2)C1 ZINC001493952109 1063257493 /nfs/dbraw/zinc/25/74/93/1063257493.db2.gz PZCXIHCABRLLJB-YSIASYRMSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1ncc(CN2CCC(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001495516348 1063503927 /nfs/dbraw/zinc/50/39/27/1063503927.db2.gz CZPLEKODYQBTIQ-RDTXWAMCSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(CN2CCC(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001495516348 1063503943 /nfs/dbraw/zinc/50/39/43/1063503943.db2.gz CZPLEKODYQBTIQ-RDTXWAMCSA-N 1 3 364.559 2.510 20 0 FFADHO C[NH+](C)C1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC001467744586 1063837797 /nfs/dbraw/zinc/83/77/97/1063837797.db2.gz DQAXAMPANRMOSX-UHFFFAOYSA-N 1 3 361.452 2.782 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)N(C)C)cc1 ZINC001468017258 1063911411 /nfs/dbraw/zinc/91/14/11/1063911411.db2.gz HZELYNYVVJQKMM-AABGKKOBSA-N 1 3 358.530 2.587 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)N(C)C)cc1 ZINC001468017258 1063911424 /nfs/dbraw/zinc/91/14/24/1063911424.db2.gz HZELYNYVVJQKMM-AABGKKOBSA-N 1 3 358.530 2.587 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC001469157420 1064100450 /nfs/dbraw/zinc/10/04/50/1064100450.db2.gz KRKCWEKWDDTVSA-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC001469157420 1064100452 /nfs/dbraw/zinc/10/04/52/1064100452.db2.gz KRKCWEKWDDTVSA-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001469659296 1064186931 /nfs/dbraw/zinc/18/69/31/1064186931.db2.gz SQSRDJZWNONOOA-FMIVXFBMSA-N 1 3 373.541 2.973 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC001472527533 1065088183 /nfs/dbraw/zinc/08/81/83/1065088183.db2.gz VSMYOHPMUDDINQ-FQEVSTJZSA-N 1 3 373.497 2.918 20 0 FFADHO C[C@H](NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)[C@H](c1ccccc1)N(C)C ZINC001576201007 1078204596 /nfs/dbraw/zinc/20/45/96/1078204596.db2.gz PRLYDFYKNWMYQW-FBBABVLZSA-N 1 3 358.530 2.853 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC001474067783 1065450210 /nfs/dbraw/zinc/45/02/10/1065450210.db2.gz GFIUJJIMIZVEPJ-FDFHNCONSA-N 1 3 374.525 2.712 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001576734865 1078267569 /nfs/dbraw/zinc/26/75/69/1078267569.db2.gz KUJPAGBGTQXICR-YLJYHZDGSA-N 1 3 355.526 2.793 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001578380970 1078467297 /nfs/dbraw/zinc/46/72/97/1078467297.db2.gz JOQZOFVCOTYXCY-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH2+]CCOc1ccccc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001578716190 1078522041 /nfs/dbraw/zinc/52/20/41/1078522041.db2.gz NGKPKZDLCFXVAA-QGZVFWFLSA-N 1 3 355.482 2.535 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC001578739961 1078525846 /nfs/dbraw/zinc/52/58/46/1078525846.db2.gz SGKJGTYJAYYXAQ-FQEVSTJZSA-N 1 3 355.482 2.770 20 0 FFADHO COCCN(CCCc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001579026198 1078565029 /nfs/dbraw/zinc/56/50/29/1078565029.db2.gz MGDGHSISKIACAL-UHFFFAOYSA-N 1 3 357.498 2.770 20 0 FFADHO COc1ccc([C@H](NC[C@@H](O)C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC001579200393 1078587917 /nfs/dbraw/zinc/58/79/17/1078587917.db2.gz XWHZFWGVJBAGJH-NHCUHLMSSA-N 1 3 358.457 2.874 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccccc3F)C[N@@H+]2C1 ZINC001583558532 1079232538 /nfs/dbraw/zinc/23/25/38/1079232538.db2.gz KSIGEJCXYULINM-BHIYHBOVSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccccc3F)C[N@H+]2C1 ZINC001583558532 1079232541 /nfs/dbraw/zinc/23/25/41/1079232541.db2.gz KSIGEJCXYULINM-BHIYHBOVSA-N 1 3 361.505 2.836 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC001550279636 1074196758 /nfs/dbraw/zinc/19/67/58/1074196758.db2.gz KYBXNQVGQKACSB-FXANMCRTSA-N 1 3 364.921 2.773 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(N4CCCC4)o3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423807 1074262811 /nfs/dbraw/zinc/26/28/11/1074262811.db2.gz RZEAOZGLEYCYRU-JYRKZWEQSA-N 1 3 361.530 2.839 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(N4CCCC4)o3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423807 1074262819 /nfs/dbraw/zinc/26/28/19/1074262819.db2.gz RZEAOZGLEYCYRU-JYRKZWEQSA-N 1 3 361.530 2.839 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@@H]1C(C)C ZINC001550423948 1074263303 /nfs/dbraw/zinc/26/33/03/1074263303.db2.gz UYMUXFNNLZOCEQ-ZULIPRJHSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@@H]1C(C)C ZINC001550423948 1074263306 /nfs/dbraw/zinc/26/33/06/1074263306.db2.gz UYMUXFNNLZOCEQ-ZULIPRJHSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3nccc4c3CCCC4)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424160 1074264529 /nfs/dbraw/zinc/26/45/29/1074264529.db2.gz YRQOIIADEOXTAD-GBAJDQEWSA-N 1 3 357.542 2.920 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3nccc4c3CCCC4)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424160 1074264531 /nfs/dbraw/zinc/26/45/31/1074264531.db2.gz YRQOIIADEOXTAD-GBAJDQEWSA-N 1 3 357.542 2.920 20 0 FFADHO O=C1CC[C@H](NCc2cccc(Cl)c2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550913147 1074529696 /nfs/dbraw/zinc/52/96/96/1074529696.db2.gz KCSCLKLXHPVLEU-WMLDXEAASA-N 1 3 356.297 2.730 20 0 FFADHO CCn1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(-c2ccccc2)n1 ZINC001584248209 1079327217 /nfs/dbraw/zinc/32/72/17/1079327217.db2.gz MXZNCCPMPIDZTM-KRWDZBQOSA-N 1 3 371.529 2.572 20 0 FFADHO CCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(-c2ccccc2)n1 ZINC001584248209 1079327225 /nfs/dbraw/zinc/32/72/25/1079327225.db2.gz MXZNCCPMPIDZTM-KRWDZBQOSA-N 1 3 371.529 2.572 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC001552393518 1075071870 /nfs/dbraw/zinc/07/18/70/1075071870.db2.gz BUVWVIAMTKEOJG-CUWPLCDZSA-N 1 3 367.468 2.870 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4[C@H](C3)C3CCC4CC3)CC2)CC1 ZINC001552407084 1075072754 /nfs/dbraw/zinc/07/27/54/1075072754.db2.gz CIKBKPCOOIWCSF-XRUXWCASSA-N 1 3 374.573 2.623 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C[C@@H]3NCc4ccccc43)CC2)C[C@H](C)O1 ZINC001552919448 1075172401 /nfs/dbraw/zinc/17/24/01/1075172401.db2.gz MWIMMPNKVGXUGI-FVJLSDCUSA-N 1 3 371.525 2.569 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C[C@@H]3NCc4ccccc43)CC2)C[C@H](C)O1 ZINC001552919448 1075172403 /nfs/dbraw/zinc/17/24/03/1075172403.db2.gz MWIMMPNKVGXUGI-FVJLSDCUSA-N 1 3 371.525 2.569 20 0 FFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001552963965 1075179581 /nfs/dbraw/zinc/17/95/81/1075179581.db2.gz ONEVTSMYVGDQKP-YQVWRLOYSA-N 1 3 355.486 2.586 20 0 FFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001552963965 1075179582 /nfs/dbraw/zinc/17/95/82/1075179582.db2.gz ONEVTSMYVGDQKP-YQVWRLOYSA-N 1 3 355.486 2.586 20 0 FFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001552963965 1075179585 /nfs/dbraw/zinc/17/95/85/1075179585.db2.gz ONEVTSMYVGDQKP-YQVWRLOYSA-N 1 3 355.486 2.586 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3[C@@H]4CCCN[C@H]4C3(C)C)CC2)oc1C ZINC001553021871 1075200606 /nfs/dbraw/zinc/20/06/06/1075200606.db2.gz DGRQGMRWDRKLQV-MISYRCLQSA-N 1 3 360.546 2.870 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CC2)N(C)C)cc1 ZINC001564878013 1076666697 /nfs/dbraw/zinc/66/66/97/1076666697.db2.gz DJVOBMILLSSMQJ-IBGZPJMESA-N 1 3 360.546 2.881 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c(C)n1 ZINC001565898350 1076787755 /nfs/dbraw/zinc/78/77/55/1076787755.db2.gz VBYXZDSIOCSGSC-PKOBYXMFSA-N 1 3 358.530 2.557 20 0 FFADHO COCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001566100964 1076905014 /nfs/dbraw/zinc/90/50/14/1076905014.db2.gz RBHIYPQCHNPFSU-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO COCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001566100964 1076905016 /nfs/dbraw/zinc/90/50/16/1076905016.db2.gz RBHIYPQCHNPFSU-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO CC(C)Oc1ccccc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568273309 1077081871 /nfs/dbraw/zinc/08/18/71/1077081871.db2.gz KWYNQNGGKKGEEN-YQVWRLOYSA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)Oc1ccccc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568273309 1077081877 /nfs/dbraw/zinc/08/18/77/1077081877.db2.gz KWYNQNGGKKGEEN-YQVWRLOYSA-N 1 3 361.530 2.751 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000409628867 512111858 /nfs/dbraw/zinc/11/18/58/512111858.db2.gz FVNHZCUNLIZUST-HNNXBMFYSA-N 1 3 372.504 2.670 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422905320 513972278 /nfs/dbraw/zinc/97/22/78/513972278.db2.gz ZATVCTKFIBYDHV-JKIFEVAISA-N 1 3 352.320 2.863 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423162311 514065957 /nfs/dbraw/zinc/06/59/57/514065957.db2.gz PAVWRRFZKASGGM-DHSIGJKJSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423162311 514065962 /nfs/dbraw/zinc/06/59/62/514065962.db2.gz PAVWRRFZKASGGM-DHSIGJKJSA-N 1 3 369.347 2.886 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093136444 250019590 /nfs/dbraw/zinc/01/95/90/250019590.db2.gz IUEOMKWSQKNCKH-IBGZPJMESA-N 1 3 373.545 2.575 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093136444 250019593 /nfs/dbraw/zinc/01/95/93/250019593.db2.gz IUEOMKWSQKNCKH-IBGZPJMESA-N 1 3 373.545 2.575 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105294443 250207955 /nfs/dbraw/zinc/20/79/55/250207955.db2.gz DKSVYHDARLDUGB-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105294443 250207958 /nfs/dbraw/zinc/20/79/58/250207958.db2.gz DKSVYHDARLDUGB-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000175505300 251220428 /nfs/dbraw/zinc/22/04/28/251220428.db2.gz WLQCQWSQHNQGJS-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000175505334 251220453 /nfs/dbraw/zinc/22/04/53/251220453.db2.gz WLQCQWSQHNQGJS-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO NC(=O)[C@@H](Cc1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000273517025 252322432 /nfs/dbraw/zinc/32/24/32/252322432.db2.gz RXAQGDYBWWJJAW-OAQYLSRUSA-N 1 3 351.494 2.585 20 0 FFADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000276959744 256146748 /nfs/dbraw/zinc/14/67/48/256146748.db2.gz WNIVVUTVXGLYDD-HNNXBMFYSA-N 1 3 353.532 2.831 20 0 FFADHO CN(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278676999 256337640 /nfs/dbraw/zinc/33/76/40/256337640.db2.gz LXRULRBFGKQJRT-NRFANRHFSA-N 1 3 370.541 2.777 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000282601697 256763106 /nfs/dbraw/zinc/76/31/06/256763106.db2.gz HUPPSZUBFHEMGB-IAGOWNOFSA-N 1 3 371.529 2.863 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1OC ZINC000285971371 257013716 /nfs/dbraw/zinc/01/37/16/257013716.db2.gz HDIPAQFRFVVSCO-QGZVFWFLSA-N 1 3 363.546 2.560 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1CC[NH2+]CC1 ZINC000286295765 257029664 /nfs/dbraw/zinc/02/96/64/257029664.db2.gz XETQHPHGNCOKCN-UHFFFAOYSA-N 1 3 371.447 2.985 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CCOC1 ZINC000287421644 257088355 /nfs/dbraw/zinc/08/83/55/257088355.db2.gz KCTXVCGBBCMDRE-MHMIHQHRSA-N 1 3 372.553 2.912 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1OC ZINC000287643859 257100440 /nfs/dbraw/zinc/10/04/40/257100440.db2.gz USHXPCRJRTWYFH-MRXNPFEDSA-N 1 3 363.546 2.559 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000287714080 257104472 /nfs/dbraw/zinc/10/44/72/257104472.db2.gz SFTMNSIEJUQJDX-SFHVURJKSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288377391 257181767 /nfs/dbraw/zinc/18/17/67/257181767.db2.gz LKVBWHLMKWXBPT-FXAWDEMLSA-N 1 3 371.529 2.566 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289302142 257272852 /nfs/dbraw/zinc/27/28/52/257272852.db2.gz RAMDWPHYOPDQQQ-NBMJBFSESA-N 1 3 358.482 2.775 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289302142 257272853 /nfs/dbraw/zinc/27/28/53/257272853.db2.gz RAMDWPHYOPDQQQ-NBMJBFSESA-N 1 3 358.482 2.775 20 0 FFADHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc(OC)c1OCC(F)F ZINC000289736493 257296102 /nfs/dbraw/zinc/29/61/02/257296102.db2.gz MYHNHOULGBZXRQ-CYBMUJFWSA-N 1 3 370.440 2.922 20 0 FFADHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1F ZINC000289804426 257300264 /nfs/dbraw/zinc/30/02/64/257300264.db2.gz NAGFKLLXSKUBLX-UHFFFAOYSA-N 1 3 361.505 2.948 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(-c2cnn(C)c2)s1 ZINC000289921604 257306551 /nfs/dbraw/zinc/30/65/51/257306551.db2.gz VUEQLQVTLOTXTF-UHFFFAOYSA-N 1 3 361.559 2.606 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289583823 257288535 /nfs/dbraw/zinc/28/85/35/257288535.db2.gz FAEIEIRSEZEHEV-VQIMIIECSA-N 1 3 353.938 2.891 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cnc21 ZINC000333136656 258251937 /nfs/dbraw/zinc/25/19/37/258251937.db2.gz KIJIHPZZHKITJZ-MOPGFXCFSA-N 1 3 357.502 2.731 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3coc4ccccc34)CC2)CC1 ZINC000377126662 512134750 /nfs/dbraw/zinc/13/47/50/512134750.db2.gz KTRFIKRXROYBQW-UHFFFAOYSA-N 1 3 355.482 2.650 20 0 FFADHO COC[C@]1(C[NH2+][C@H](C)Cc2ccc(Br)cc2F)CCCN1 ZINC000414954385 514373277 /nfs/dbraw/zinc/37/32/77/514373277.db2.gz LGXMQDUOQRJEDE-MLGOLLRUSA-N 1 3 359.283 2.877 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000065542286 506320670 /nfs/dbraw/zinc/32/06/70/506320670.db2.gz DVDIOLVFOPWIAC-KDURUIRLSA-N 1 3 360.546 2.786 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000065542286 506320675 /nfs/dbraw/zinc/32/06/75/506320675.db2.gz DVDIOLVFOPWIAC-KDURUIRLSA-N 1 3 360.546 2.786 20 0 FFADHO C(=C/C[NH+]1CCC(c2cn[nH]c2)CC1)\CN1CCC(c2cn[nH]c2)CC1 ZINC000377362307 512233276 /nfs/dbraw/zinc/23/32/76/512233276.db2.gz LTFKHKBPLKCEHM-OWOJBTEDSA-N 1 3 354.502 2.748 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000066177752 506436413 /nfs/dbraw/zinc/43/64/13/506436413.db2.gz BNGQBOVFTTYGGO-NRFANRHFSA-N 1 3 370.541 2.839 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000066187867 506441654 /nfs/dbraw/zinc/44/16/54/506441654.db2.gz GOTUOKPTOJPCSG-HOJAQTOUSA-N 1 3 356.514 2.702 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000066196481 506446393 /nfs/dbraw/zinc/44/63/93/506446393.db2.gz NZTQDUFXNCQMBN-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000066196481 506446397 /nfs/dbraw/zinc/44/63/97/506446397.db2.gz NZTQDUFXNCQMBN-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000042929649 506680482 /nfs/dbraw/zinc/68/04/82/506680482.db2.gz VCQRSYDLUZBUGC-WOJBJXKFSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000042929649 506680488 /nfs/dbraw/zinc/68/04/88/506680488.db2.gz VCQRSYDLUZBUGC-WOJBJXKFSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043240202 506719859 /nfs/dbraw/zinc/71/98/59/506719859.db2.gz WZNSDBCXRPOJOX-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043240202 506719864 /nfs/dbraw/zinc/71/98/64/506719864.db2.gz WZNSDBCXRPOJOX-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067682504 506972153 /nfs/dbraw/zinc/97/21/53/506972153.db2.gz SAQJHEZMHACTDQ-LEWJYISDSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067682504 506972159 /nfs/dbraw/zinc/97/21/59/506972159.db2.gz SAQJHEZMHACTDQ-LEWJYISDSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000377559482 512326444 /nfs/dbraw/zinc/32/64/44/512326444.db2.gz CXNUJBFNJTXKMJ-FUHWJXTLSA-N 1 3 357.502 2.572 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000377589608 512342091 /nfs/dbraw/zinc/34/20/91/512342091.db2.gz DAHGMVORZFZARV-QZTJIDSGSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000377589608 512342094 /nfs/dbraw/zinc/34/20/94/512342094.db2.gz DAHGMVORZFZARV-QZTJIDSGSA-N 1 3 359.489 2.638 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000050800197 507714147 /nfs/dbraw/zinc/71/41/47/507714147.db2.gz WRHGAQCGZNAPQY-UHFFFAOYSA-N 1 3 369.431 2.994 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000050799496 507714410 /nfs/dbraw/zinc/71/44/10/507714410.db2.gz VUAVZOUKHIFLLY-UHFFFAOYSA-N 1 3 359.558 2.734 20 0 FFADHO Cc1ccc(C)c(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050803054 507715728 /nfs/dbraw/zinc/71/57/28/507715728.db2.gz DCCHRAOHWALHTM-UHFFFAOYSA-N 1 3 373.541 2.747 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000078434247 507870805 /nfs/dbraw/zinc/87/08/05/507870805.db2.gz UJNDIQSFAONNAM-RTWAWAEBSA-N 1 3 368.525 2.761 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000108544924 507902454 /nfs/dbraw/zinc/90/24/54/507902454.db2.gz UPOPBCGYEOPJSL-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CC(C)(CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079458312 507964314 /nfs/dbraw/zinc/96/43/14/507964314.db2.gz ZRARPBODSOPAMO-KRWDZBQOSA-N 1 3 370.541 2.607 20 0 FFADHO CC(C)(CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079458312 507964316 /nfs/dbraw/zinc/96/43/16/507964316.db2.gz ZRARPBODSOPAMO-KRWDZBQOSA-N 1 3 370.541 2.607 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000079599596 507980781 /nfs/dbraw/zinc/98/07/81/507980781.db2.gz ATTFTKMYBXPKRC-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000079599596 507980782 /nfs/dbraw/zinc/98/07/82/507980782.db2.gz ATTFTKMYBXPKRC-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000074267199 508003833 /nfs/dbraw/zinc/00/38/33/508003833.db2.gz CIRFWYMOOXTBHA-WOJBJXKFSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000074267199 508003837 /nfs/dbraw/zinc/00/38/37/508003837.db2.gz CIRFWYMOOXTBHA-WOJBJXKFSA-N 1 3 370.541 2.777 20 0 FFADHO Cc1nc(-c2cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2)cs1 ZINC000080061184 508032429 /nfs/dbraw/zinc/03/24/29/508032429.db2.gz OOZYAQXLBFPPIT-UHFFFAOYSA-N 1 3 360.527 2.684 20 0 FFADHO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000092101151 508043323 /nfs/dbraw/zinc/04/33/23/508043323.db2.gz QSASJBAJJWNCFZ-IBGZPJMESA-N 1 3 372.557 2.517 20 0 FFADHO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000092101151 508043326 /nfs/dbraw/zinc/04/33/26/508043326.db2.gz QSASJBAJJWNCFZ-IBGZPJMESA-N 1 3 372.557 2.517 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000080218402 508053072 /nfs/dbraw/zinc/05/30/72/508053072.db2.gz DSTVBELBHHTQQV-LJQANCHMSA-N 1 3 350.551 2.624 20 0 FFADHO CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000092510545 508076247 /nfs/dbraw/zinc/07/62/47/508076247.db2.gz BFMOSGNHXSSOFA-NRFANRHFSA-N 1 3 372.557 2.661 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](n3cccn3)C2)CC1 ZINC000092968053 508110741 /nfs/dbraw/zinc/11/07/41/508110741.db2.gz PKCIXFKCXQTGQS-FQEVSTJZSA-N 1 3 353.514 2.862 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](n3cccn3)C2)CC1 ZINC000092968053 508110743 /nfs/dbraw/zinc/11/07/43/508110743.db2.gz PKCIXFKCXQTGQS-FQEVSTJZSA-N 1 3 353.514 2.862 20 0 FFADHO CCOc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C ZINC000113160454 508248271 /nfs/dbraw/zinc/24/82/71/508248271.db2.gz SYTVFIYOVARIAJ-UHFFFAOYSA-N 1 3 359.514 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C[NH+](C)C)C3)c(C)c2)CC1 ZINC000113364411 508262077 /nfs/dbraw/zinc/26/20/77/508262077.db2.gz FJCHINIYVKORAG-SFHVURJKSA-N 1 3 373.545 2.552 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000113398809 508266211 /nfs/dbraw/zinc/26/62/11/508266211.db2.gz BMDABCVOSOVPRJ-GPMSIDNRSA-N 1 3 350.551 2.669 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000103212033 508302240 /nfs/dbraw/zinc/30/22/40/508302240.db2.gz FAZHQJFMXYGLOO-HOTGVXAUSA-N 1 3 371.447 2.761 20 0 FFADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000085424705 508308578 /nfs/dbraw/zinc/30/85/78/508308578.db2.gz JDQIGFVQWUWIIW-MRXNPFEDSA-N 1 3 364.534 2.862 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)N2CCCC2)c1 ZINC000105084677 508360403 /nfs/dbraw/zinc/36/04/03/508360403.db2.gz FIGHBVHMUYORAU-JXFKEZNVSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)N2CCCC2)c1 ZINC000105084677 508360406 /nfs/dbraw/zinc/36/04/06/508360406.db2.gz FIGHBVHMUYORAU-JXFKEZNVSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]1CN1CCCCC1)C[NH+]1CCCCC1 ZINC000105167721 508363976 /nfs/dbraw/zinc/36/39/76/508363976.db2.gz WIWIGWZEENGZRN-OALUTQOASA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nc(C(C)(C)C)cs1 ZINC000077823845 508380763 /nfs/dbraw/zinc/38/07/63/508380763.db2.gz VJKCUCPTHVFJDV-CQSZACIVSA-N 1 3 369.579 2.636 20 0 FFADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+][C@@H]3CCOC3)CC2)c1 ZINC000088680196 508381081 /nfs/dbraw/zinc/38/10/81/508381081.db2.gz ZJQZORSKBXFNSM-QGZVFWFLSA-N 1 3 371.447 2.986 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000115351974 508387162 /nfs/dbraw/zinc/38/71/62/508387162.db2.gz OUZAFSIKCNUVQD-SFHVURJKSA-N 1 3 355.526 2.781 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)N(C)C)cc1 ZINC000106547488 508402076 /nfs/dbraw/zinc/40/20/76/508402076.db2.gz OLHHGHIGSQOBIY-ICSRJNTNSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)N(C)C)cc1 ZINC000106547488 508402077 /nfs/dbraw/zinc/40/20/77/508402077.db2.gz OLHHGHIGSQOBIY-ICSRJNTNSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1nccn1CCCN1CCC[C@H]([N@H+](C)CCCn2ccnc2C)CC1 ZINC000127612043 508476460 /nfs/dbraw/zinc/47/64/60/508476460.db2.gz AUBZZTVTUORRLA-NRFANRHFSA-N 1 3 372.561 2.963 20 0 FFADHO Cc1nccn1CCCN1CCC[C@H]([N@@H+](C)CCCn2ccnc2C)CC1 ZINC000127612043 508476464 /nfs/dbraw/zinc/47/64/64/508476464.db2.gz AUBZZTVTUORRLA-NRFANRHFSA-N 1 3 372.561 2.963 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000122132772 508486063 /nfs/dbraw/zinc/48/60/63/508486063.db2.gz MTBSZBIUCJEPHY-ROUUACIJSA-N 1 3 352.544 2.951 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000122132772 508486068 /nfs/dbraw/zinc/48/60/68/508486068.db2.gz MTBSZBIUCJEPHY-ROUUACIJSA-N 1 3 352.544 2.951 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000122147380 508488195 /nfs/dbraw/zinc/48/81/95/508488195.db2.gz SAGSHMJIGLKLOB-UHFFFAOYSA-N 1 3 373.545 2.847 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000122147380 508488200 /nfs/dbraw/zinc/48/82/00/508488200.db2.gz SAGSHMJIGLKLOB-UHFFFAOYSA-N 1 3 373.545 2.847 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000116522297 508524898 /nfs/dbraw/zinc/52/48/98/508524898.db2.gz VXOXGVIRFKPZSW-QGZVFWFLSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000153560421 508598286 /nfs/dbraw/zinc/59/82/86/508598286.db2.gz WHIPLBYYVCEGFL-LJQANCHMSA-N 1 3 373.541 2.937 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000153560421 508598288 /nfs/dbraw/zinc/59/82/88/508598288.db2.gz WHIPLBYYVCEGFL-LJQANCHMSA-N 1 3 373.541 2.937 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000123038621 508625428 /nfs/dbraw/zinc/62/54/28/508625428.db2.gz FBINQWWLOBYKHP-SFHVURJKSA-N 1 3 352.567 2.918 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000123038621 508625431 /nfs/dbraw/zinc/62/54/31/508625431.db2.gz FBINQWWLOBYKHP-SFHVURJKSA-N 1 3 352.567 2.918 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCCCCC2)[C@H](C)C1 ZINC000129060642 508677080 /nfs/dbraw/zinc/67/70/80/508677080.db2.gz DNLQYZHRKQUYST-MOPGFXCFSA-N 1 3 353.551 2.506 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCCCCC2)[C@H](C)C1 ZINC000129060642 508677085 /nfs/dbraw/zinc/67/70/85/508677085.db2.gz DNLQYZHRKQUYST-MOPGFXCFSA-N 1 3 353.551 2.506 20 0 FFADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000123651585 508720215 /nfs/dbraw/zinc/72/02/15/508720215.db2.gz GTSGEZYBIYLUEJ-OAHLLOKOSA-N 1 3 361.511 2.971 20 0 FFADHO Cc1ccc(CNC(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)cc1F ZINC000119159053 508738024 /nfs/dbraw/zinc/73/80/24/508738024.db2.gz VYXCGOQNLNVXHJ-LJQANCHMSA-N 1 3 361.505 2.947 20 0 FFADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000119224348 508751658 /nfs/dbraw/zinc/75/16/58/508751658.db2.gz RYTOUZKMTWEDBA-VLGSPTGOSA-N 1 3 365.949 2.723 20 0 FFADHO Cc1ncccc1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130197477 508803207 /nfs/dbraw/zinc/80/32/07/508803207.db2.gz FKFVBEBUJOQBQZ-UHFFFAOYSA-N 1 3 352.482 2.505 20 0 FFADHO Cc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)c(OCCN(C)C)c1 ZINC000154667735 508829836 /nfs/dbraw/zinc/82/98/36/508829836.db2.gz OLIIDBZMVCXSIX-UHFFFAOYSA-N 1 3 362.518 2.789 20 0 FFADHO Cc1cccc(OC(F)F)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120089116 508926201 /nfs/dbraw/zinc/92/62/01/508926201.db2.gz GPYNWQJSCMUCMS-UHFFFAOYSA-N 1 3 358.433 2.554 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000150944010 508927929 /nfs/dbraw/zinc/92/79/29/508927929.db2.gz BNBUJCLMQCZFIJ-HXUWFJFHSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000150944010 508927931 /nfs/dbraw/zinc/92/79/31/508927931.db2.gz BNBUJCLMQCZFIJ-HXUWFJFHSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155222007 508951553 /nfs/dbraw/zinc/95/15/53/508951553.db2.gz NGRSHBGYOLWKHT-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000155222007 508951556 /nfs/dbraw/zinc/95/15/56/508951556.db2.gz NGRSHBGYOLWKHT-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155291813 508968761 /nfs/dbraw/zinc/96/87/61/508968761.db2.gz RHZZGZKOTUGSHP-SFTDATJTSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377748779 512431390 /nfs/dbraw/zinc/43/13/90/512431390.db2.gz UAHJKPRJJBVTIC-INIZCTEOSA-N 1 3 355.482 2.956 20 0 FFADHO CC(C)[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)N1CCN(C)CC1 ZINC000132383730 509024621 /nfs/dbraw/zinc/02/46/21/509024621.db2.gz VLBQJHYNWWDHMK-QHCPKHFHSA-N 1 3 372.601 2.555 20 0 FFADHO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(OCCN(C)C)cc1 ZINC000126521598 509090094 /nfs/dbraw/zinc/09/00/94/509090094.db2.gz BTMSSPHAYGFLDD-KRWDZBQOSA-N 1 3 371.529 2.838 20 0 FFADHO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc(OCCN(C)C)c1 ZINC000126594271 509099683 /nfs/dbraw/zinc/09/96/83/509099683.db2.gz JRSPOPKNYNMNPG-KRWDZBQOSA-N 1 3 371.529 2.838 20 0 FFADHO CC(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000156009434 509109389 /nfs/dbraw/zinc/10/93/89/509109389.db2.gz KNQKVGJKFRRIRH-SFHVURJKSA-N 1 3 370.488 2.797 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000121708607 509180805 /nfs/dbraw/zinc/18/08/05/509180805.db2.gz SQSALHNLDKEVHO-HBMCJLEFSA-N 1 3 356.510 2.691 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc4ccccc43)CC[C@@H]21 ZINC000247882097 509186088 /nfs/dbraw/zinc/18/60/88/509186088.db2.gz BVXTYALWCJWXOU-SBHAEUEKSA-N 1 3 354.494 2.996 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc4ccccc43)CC[C@@H]21 ZINC000247882097 509186093 /nfs/dbraw/zinc/18/60/93/509186093.db2.gz BVXTYALWCJWXOU-SBHAEUEKSA-N 1 3 354.494 2.996 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)([NH+](C)C)C1 ZINC000195599293 509212150 /nfs/dbraw/zinc/21/21/50/509212150.db2.gz WEFUTWMGQFQEAY-CBQOVEMMSA-N 1 3 374.573 2.969 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H]1c1ccccc1 ZINC000179103251 509264570 /nfs/dbraw/zinc/26/45/70/509264570.db2.gz WRMNNDVTBFFOPZ-RTWAWAEBSA-N 1 3 366.509 2.993 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248395616 509292747 /nfs/dbraw/zinc/29/27/47/509292747.db2.gz GHKGOBYCUGWYBC-ZHALLVOQSA-N 1 3 350.551 2.813 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248395616 509292754 /nfs/dbraw/zinc/29/27/54/509292754.db2.gz GHKGOBYCUGWYBC-ZHALLVOQSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248404545 509298854 /nfs/dbraw/zinc/29/88/54/509298854.db2.gz QIXRFKJPLGDFLS-YUMYIRISSA-N 1 3 360.542 2.910 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248404545 509298862 /nfs/dbraw/zinc/29/88/62/509298862.db2.gz QIXRFKJPLGDFLS-YUMYIRISSA-N 1 3 360.542 2.910 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248404545 509298871 /nfs/dbraw/zinc/29/88/71/509298871.db2.gz QIXRFKJPLGDFLS-YUMYIRISSA-N 1 3 360.542 2.910 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000176053876 509300055 /nfs/dbraw/zinc/30/00/55/509300055.db2.gz PLSRFTUWXNDJPQ-RXVVDRJESA-N 1 3 372.557 2.880 20 0 FFADHO CN1CCC[C@H]2C[N@H+](C[C@H](O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000162799758 509303932 /nfs/dbraw/zinc/30/39/32/509303932.db2.gz OEKDZOPFNAVFMP-XIRDDKMYSA-N 1 3 353.304 2.899 20 0 FFADHO CN1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000162799758 509303936 /nfs/dbraw/zinc/30/39/36/509303936.db2.gz OEKDZOPFNAVFMP-XIRDDKMYSA-N 1 3 353.304 2.899 20 0 FFADHO CC(C)N(Cc1ccco1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000264126825 509343097 /nfs/dbraw/zinc/34/30/97/509343097.db2.gz VRAGHDQLCKJCAY-UHFFFAOYSA-N 1 3 362.518 2.758 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000185810099 509364927 /nfs/dbraw/zinc/36/49/27/509364927.db2.gz LXPIMDLCJPRMSH-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO CN(c1ccccc1CNCc1cccc(CO)c1)C1CC[NH+](C)CC1 ZINC000176193605 509370094 /nfs/dbraw/zinc/37/00/94/509370094.db2.gz WGTOJFSSZWTEME-UHFFFAOYSA-N 1 3 353.510 2.999 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)c(F)cc1F ZINC000173090795 509386953 /nfs/dbraw/zinc/38/69/53/509386953.db2.gz ABRVLWLISRMNIB-CYBMUJFWSA-N 1 3 372.435 2.984 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)c(F)cc1F ZINC000173090795 509386955 /nfs/dbraw/zinc/38/69/55/509386955.db2.gz ABRVLWLISRMNIB-CYBMUJFWSA-N 1 3 372.435 2.984 20 0 FFADHO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000227122081 509405704 /nfs/dbraw/zinc/40/57/04/509405704.db2.gz FNGVCRCTNXSRMK-QWFCFKBJSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000227122081 509405710 /nfs/dbraw/zinc/40/57/10/509405710.db2.gz FNGVCRCTNXSRMK-QWFCFKBJSA-N 1 3 360.546 2.579 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248724572 509453297 /nfs/dbraw/zinc/45/32/97/509453297.db2.gz HQQULPPNVOLZKO-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248724572 509453305 /nfs/dbraw/zinc/45/33/05/509453305.db2.gz HQQULPPNVOLZKO-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000248857234 509513526 /nfs/dbraw/zinc/51/35/26/509513526.db2.gz LFMISTGDBXXRHW-QILLFSRXSA-N 1 3 369.431 2.698 20 0 FFADHO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182954335 509515350 /nfs/dbraw/zinc/51/53/50/509515350.db2.gz VATOMLCAMZVUCY-INIZCTEOSA-N 1 3 366.937 2.545 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000236880431 509522443 /nfs/dbraw/zinc/52/24/43/509522443.db2.gz JPVBZTPNEVNFQR-FQEVSTJZSA-N 1 3 355.482 2.837 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2F)CC1 ZINC000237088424 509568082 /nfs/dbraw/zinc/56/80/82/509568082.db2.gz YDMCCLZPFLGGDW-HXUWFJFHSA-N 1 3 362.493 2.827 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000165360690 509569026 /nfs/dbraw/zinc/56/90/26/509569026.db2.gz RDGJBLAQKLUDPZ-IAGOWNOFSA-N 1 3 353.576 2.762 20 0 FFADHO CCN1CCN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192683213 509595035 /nfs/dbraw/zinc/59/50/35/509595035.db2.gz OESZNCFYTQQFMQ-FRIKZZABSA-N 1 3 356.558 2.539 20 0 FFADHO CCN1CCN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192683213 509595043 /nfs/dbraw/zinc/59/50/43/509595043.db2.gz OESZNCFYTQQFMQ-FRIKZZABSA-N 1 3 356.558 2.539 20 0 FFADHO COc1cccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237313987 509619000 /nfs/dbraw/zinc/61/90/00/509619000.db2.gz CCJDBJOXVANXFN-RTWAWAEBSA-N 1 3 367.493 2.691 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CSCCN1 ZINC000237343246 509628515 /nfs/dbraw/zinc/62/85/15/509628515.db2.gz PQLJOQDTYLNPFH-VQIMIIECSA-N 1 3 361.555 2.772 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CSCCN1 ZINC000237343246 509628523 /nfs/dbraw/zinc/62/85/23/509628523.db2.gz PQLJOQDTYLNPFH-VQIMIIECSA-N 1 3 361.555 2.772 20 0 FFADHO COC(=O)[C@@H](C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192772533 509638659 /nfs/dbraw/zinc/63/86/59/509638659.db2.gz MTDNFBPLVIYMDW-AZUAARDMSA-N 1 3 361.530 2.543 20 0 FFADHO CSCC[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167846940 509642798 /nfs/dbraw/zinc/64/27/98/509642798.db2.gz TZUODHRLBFVEJL-QGZVFWFLSA-N 1 3 369.962 2.749 20 0 FFADHO CCOC(=O)c1nn(C)cc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000186322305 509647125 /nfs/dbraw/zinc/64/71/25/509647125.db2.gz FLGUHFBLPCAGHQ-UHFFFAOYSA-N 1 3 370.497 2.599 20 0 FFADHO COc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237487794 509661511 /nfs/dbraw/zinc/66/15/11/509661511.db2.gz UPLYPAWQZJWUPL-LEWJYISDSA-N 1 3 367.493 2.691 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000173596058 509666234 /nfs/dbraw/zinc/66/62/34/509666234.db2.gz ULNJQFFIEPGZHW-SFTDATJTSA-N 1 3 373.541 2.560 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000249395253 509669651 /nfs/dbraw/zinc/66/96/51/509669651.db2.gz ATCNSFDGCMZCGU-YHDCXSKOSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)N(C)CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176846577 509722544 /nfs/dbraw/zinc/72/25/44/509722544.db2.gz KIYTVWGBLGWWNJ-UHFFFAOYSA-N 1 3 361.530 2.514 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000237896843 509765884 /nfs/dbraw/zinc/76/58/84/509765884.db2.gz YUCLXVKCQMCIHS-VQTJNVASSA-N 1 3 373.541 2.691 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000268140015 509776746 /nfs/dbraw/zinc/77/67/46/509776746.db2.gz QTAMOPNBAISQKP-OXQOHEQNSA-N 1 3 356.514 2.564 20 0 FFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186590932 509789240 /nfs/dbraw/zinc/78/92/40/509789240.db2.gz JMXWWWFLJHSQIS-XXTHSBEZSA-N 1 3 370.585 2.513 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238173913 509830742 /nfs/dbraw/zinc/83/07/42/509830742.db2.gz PEXSEGAZQPDKSZ-GIVPXCGWSA-N 1 3 371.525 2.750 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000173899301 509842439 /nfs/dbraw/zinc/84/24/39/509842439.db2.gz AMKDZTLDBSOSID-DLBZAZTESA-N 1 3 366.575 2.737 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000173899301 509842445 /nfs/dbraw/zinc/84/24/45/509842445.db2.gz AMKDZTLDBSOSID-DLBZAZTESA-N 1 3 366.575 2.737 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000190000469 509876389 /nfs/dbraw/zinc/87/63/89/509876389.db2.gz MTKHJGDWKADPMA-KRWDZBQOSA-N 1 3 361.534 2.590 20 0 FFADHO C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245385251 509889513 /nfs/dbraw/zinc/88/95/13/509889513.db2.gz BFIDHFWGKJIDCJ-ZRSRNVLSSA-N 1 3 365.562 2.596 20 0 FFADHO C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245385251 509889521 /nfs/dbraw/zinc/88/95/21/509889521.db2.gz BFIDHFWGKJIDCJ-ZRSRNVLSSA-N 1 3 365.562 2.596 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000174010952 509903374 /nfs/dbraw/zinc/90/33/74/509903374.db2.gz OSOQMBIDXYABIV-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000174010952 509903382 /nfs/dbraw/zinc/90/33/82/509903382.db2.gz OSOQMBIDXYABIV-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO CS(=O)(=O)CCCCC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186855649 509914797 /nfs/dbraw/zinc/91/47/97/509914797.db2.gz GECVTMDDRVBBRP-UFYCRDLUSA-N 1 3 364.555 2.702 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174106177 509949521 /nfs/dbraw/zinc/94/95/21/509949521.db2.gz LKXFIISBUKRSEX-CTNGQTDRSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)C[C@H](C)O1 ZINC000177275425 509974668 /nfs/dbraw/zinc/97/46/68/509974668.db2.gz OVCJEZUUTSKGGN-ROUUACIJSA-N 1 3 369.513 2.589 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000268526492 509990508 /nfs/dbraw/zinc/99/05/08/509990508.db2.gz HHAKCXLCESQYCJ-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000268526492 509990516 /nfs/dbraw/zinc/99/05/16/509990516.db2.gz HHAKCXLCESQYCJ-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)[C@H](C)C1 ZINC000187017131 510008072 /nfs/dbraw/zinc/00/80/72/510008072.db2.gz CRQNKYBSVFVMFL-WTJXOVOXSA-N 1 3 367.578 2.796 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CCCN3C)c2)CC1 ZINC000171241080 510029131 /nfs/dbraw/zinc/02/91/31/510029131.db2.gz YCBFHKCWYGFJMS-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CC(C)Oc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261758357 510051815 /nfs/dbraw/zinc/05/18/15/510051815.db2.gz FROJGNCAPMACTK-UYAOXDASSA-N 1 3 359.514 2.554 20 0 FFADHO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000193769607 510059322 /nfs/dbraw/zinc/05/93/22/510059322.db2.gz SLZMBNKKFFQORH-UHFFFAOYSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@@H]1c1cccs1 ZINC000245658753 510066916 /nfs/dbraw/zinc/06/69/16/510066916.db2.gz CXDBBGWTVALZFT-ZHALLVOQSA-N 1 3 374.554 2.787 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@@H]1c1cccs1 ZINC000245658753 510066922 /nfs/dbraw/zinc/06/69/22/510066922.db2.gz CXDBBGWTVALZFT-ZHALLVOQSA-N 1 3 374.554 2.787 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 ZINC000171304134 510068505 /nfs/dbraw/zinc/06/85/05/510068505.db2.gz ZRJBILFJPZRNCU-HDICACEKSA-N 1 3 359.514 2.836 20 0 FFADHO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000268721475 510086823 /nfs/dbraw/zinc/08/68/23/510086823.db2.gz IOFNFYXOEXBPQU-XLIONFOSSA-N 1 3 350.503 2.863 20 0 FFADHO CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261911844 510114961 /nfs/dbraw/zinc/11/49/61/510114961.db2.gz YGBITMKNIHBTFF-BLMTVLTRSA-N 1 3 359.489 2.779 20 0 FFADHO CCCc1cnc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000180821382 510128389 /nfs/dbraw/zinc/12/83/89/510128389.db2.gz YRVHUNFUTSLYTD-HNNXBMFYSA-N 1 3 367.563 2.975 20 0 FFADHO CCCc1cnc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000180821382 510128398 /nfs/dbraw/zinc/12/83/98/510128398.db2.gz YRVHUNFUTSLYTD-HNNXBMFYSA-N 1 3 367.563 2.975 20 0 FFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261972905 510133993 /nfs/dbraw/zinc/13/39/93/510133993.db2.gz QUBWFVGYKFJDGL-AQNXPRMDSA-N 1 3 361.555 2.804 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194015562 510176553 /nfs/dbraw/zinc/17/65/53/510176553.db2.gz DGBFBRXESBNYCZ-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194015562 510176561 /nfs/dbraw/zinc/17/65/61/510176561.db2.gz DGBFBRXESBNYCZ-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194017234 510177667 /nfs/dbraw/zinc/17/76/67/510177667.db2.gz FBKFHJVDMNXLJN-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194017234 510177678 /nfs/dbraw/zinc/17/76/78/510177678.db2.gz FBKFHJVDMNXLJN-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000245877336 510183506 /nfs/dbraw/zinc/18/35/06/510183506.db2.gz YWGIXUSECPTOBW-FGTMMUONSA-N 1 3 361.530 2.895 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000245953378 510224789 /nfs/dbraw/zinc/22/47/89/510224789.db2.gz PXVUYIFFIAHWCK-MDZRGWNJSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000245953378 510224795 /nfs/dbraw/zinc/22/47/95/510224795.db2.gz PXVUYIFFIAHWCK-MDZRGWNJSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000246061241 510270416 /nfs/dbraw/zinc/27/04/16/510270416.db2.gz REHNSRQEIIZMFK-AZUAARDMSA-N 1 3 368.562 2.519 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000246061241 510270423 /nfs/dbraw/zinc/27/04/23/510270423.db2.gz REHNSRQEIIZMFK-AZUAARDMSA-N 1 3 368.562 2.519 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246081999 510281756 /nfs/dbraw/zinc/28/17/56/510281756.db2.gz DRLSWTJOMKHTEY-TZIWHRDSSA-N 1 3 372.557 2.582 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246081999 510281766 /nfs/dbraw/zinc/28/17/66/510281766.db2.gz DRLSWTJOMKHTEY-TZIWHRDSSA-N 1 3 372.557 2.582 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000177849057 510288147 /nfs/dbraw/zinc/28/81/47/510288147.db2.gz RPDDCRYDANDSQK-IBGZPJMESA-N 1 3 372.557 2.943 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000177849057 510288152 /nfs/dbraw/zinc/28/81/52/510288152.db2.gz RPDDCRYDANDSQK-IBGZPJMESA-N 1 3 372.557 2.943 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000246203813 510359993 /nfs/dbraw/zinc/35/99/93/510359993.db2.gz NBKVZHLGPPDLBB-KSZLIROESA-N 1 3 370.607 2.718 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000246203813 510359999 /nfs/dbraw/zinc/35/99/99/510359999.db2.gz NBKVZHLGPPDLBB-KSZLIROESA-N 1 3 370.607 2.718 20 0 FFADHO CN1CCCN(c2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000246252959 510390565 /nfs/dbraw/zinc/39/05/65/510390565.db2.gz KBAMIRYRQGWTKX-JLYLLQBASA-N 1 3 356.514 2.688 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000178038399 510393915 /nfs/dbraw/zinc/39/39/15/510393915.db2.gz VGXPIMZJFWUYRZ-IVZYZONNSA-N 1 3 352.544 2.964 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000262769404 510404469 /nfs/dbraw/zinc/40/44/69/510404469.db2.gz HJVASJJENRPZEQ-SIKLNZKXSA-N 1 3 373.541 2.547 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C[N@@H+]1C1CC1 ZINC000246347989 510439895 /nfs/dbraw/zinc/43/98/95/510439895.db2.gz OWQYDOWKHAXIJP-HLLBOEOZSA-N 1 3 362.543 2.809 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C[N@H+]1C1CC1 ZINC000246347989 510439900 /nfs/dbraw/zinc/43/99/00/510439900.db2.gz OWQYDOWKHAXIJP-HLLBOEOZSA-N 1 3 362.543 2.809 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000246396084 510465475 /nfs/dbraw/zinc/46/54/75/510465475.db2.gz STRZJUUBDJIPHR-PKOBYXMFSA-N 1 3 352.567 2.726 20 0 FFADHO COC[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CCOCC1 ZINC000187901105 510493501 /nfs/dbraw/zinc/49/35/01/510493501.db2.gz PLJBTJLLRLFBCW-LJQANCHMSA-N 1 3 352.544 2.991 20 0 FFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000269670044 510504746 /nfs/dbraw/zinc/50/47/46/510504746.db2.gz ANMWHSMBKIKGKJ-KURKYZTESA-N 1 3 369.509 2.915 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000246528863 510539850 /nfs/dbraw/zinc/53/98/50/510539850.db2.gz XSPGFHHPZVOVDN-HCXYKTFWSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000246528863 510539859 /nfs/dbraw/zinc/53/98/59/510539859.db2.gz XSPGFHHPZVOVDN-HCXYKTFWSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000181691714 510543013 /nfs/dbraw/zinc/54/30/13/510543013.db2.gz RFAMELJMCKYQGM-IAGOWNOFSA-N 1 3 354.535 2.930 20 0 FFADHO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000246581710 510569607 /nfs/dbraw/zinc/56/96/07/510569607.db2.gz OSGOKGWKUKCINK-FUHIMQAGSA-N 1 3 362.562 2.908 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000263355771 510677000 /nfs/dbraw/zinc/67/70/00/510677000.db2.gz ROXKSSSFDPBQFA-GOSISDBHSA-N 1 3 354.454 2.605 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1(C)C ZINC000181974062 510686084 /nfs/dbraw/zinc/68/60/84/510686084.db2.gz YCWAVBSQWATDGR-UXHICEINSA-N 1 3 373.541 2.805 20 0 FFADHO CCC1(CC)[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H]1OC ZINC000181975951 510686774 /nfs/dbraw/zinc/68/67/74/510686774.db2.gz XGDQSHWBYNCPSX-OALUTQOASA-N 1 3 361.530 2.661 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000191494689 510687840 /nfs/dbraw/zinc/68/78/40/510687840.db2.gz WCPIRVLZDSAIDT-FCHUYYIVSA-N 1 3 364.622 2.989 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000191494689 510687845 /nfs/dbraw/zinc/68/78/45/510687845.db2.gz WCPIRVLZDSAIDT-FCHUYYIVSA-N 1 3 364.622 2.989 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1C ZINC000266678133 510724358 /nfs/dbraw/zinc/72/43/58/510724358.db2.gz CBGRWPDDWFZRCL-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1C ZINC000266678133 510724363 /nfs/dbraw/zinc/72/43/63/510724363.db2.gz CBGRWPDDWFZRCL-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000191595593 510742542 /nfs/dbraw/zinc/74/25/42/510742542.db2.gz NOSPKOARBNTYFW-QFIPXVFZSA-N 1 3 359.558 2.676 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000191595593 510742553 /nfs/dbraw/zinc/74/25/53/510742553.db2.gz NOSPKOARBNTYFW-QFIPXVFZSA-N 1 3 359.558 2.676 20 0 FFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1(C)C ZINC000185242985 510767603 /nfs/dbraw/zinc/76/76/03/510767603.db2.gz QJXVMNMZHNQKAT-RTBURBONSA-N 1 3 361.530 2.660 20 0 FFADHO CCOc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341161 510791799 /nfs/dbraw/zinc/79/17/99/510791799.db2.gz VSHYHWYLBXTREP-UHFFFAOYSA-N 1 3 360.502 2.765 20 0 FFADHO Cc1cccc2c1[nH+]cc(C)c2N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000185352544 510818635 /nfs/dbraw/zinc/81/86/35/510818635.db2.gz DPCXFFGMGGJEHM-GOSISDBHSA-N 1 3 352.482 2.594 20 0 FFADHO CC[N@@H+]1CC[C@H](NCCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247069448 510825680 /nfs/dbraw/zinc/82/56/80/510825680.db2.gz MXGFLUANHNZOOO-ZFWWWQNUSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+]1CC[C@H](NCCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000247069448 510825682 /nfs/dbraw/zinc/82/56/82/510825682.db2.gz MXGFLUANHNZOOO-ZFWWWQNUSA-N 1 3 353.894 2.997 20 0 FFADHO CC(=O)Nc1cccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000263751922 510826052 /nfs/dbraw/zinc/82/60/52/510826052.db2.gz PEUIDMNAKGLUJA-CALCHBBNSA-N 1 3 359.514 2.966 20 0 FFADHO CC(=O)Nc1cccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000263751922 510826058 /nfs/dbraw/zinc/82/60/58/510826058.db2.gz PEUIDMNAKGLUJA-CALCHBBNSA-N 1 3 359.514 2.966 20 0 FFADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182241791 510830425 /nfs/dbraw/zinc/83/04/25/510830425.db2.gz JEFPDLDZVDHWTO-RTBURBONSA-N 1 3 352.544 2.974 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCO2 ZINC000182259760 510836785 /nfs/dbraw/zinc/83/67/85/510836785.db2.gz AOXKVAOXRNDBRU-BEFAXECRSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCO2 ZINC000182259760 510836790 /nfs/dbraw/zinc/83/67/90/510836790.db2.gz AOXKVAOXRNDBRU-BEFAXECRSA-N 1 3 354.450 2.833 20 0 FFADHO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000182263446 510838034 /nfs/dbraw/zinc/83/80/34/510838034.db2.gz SSMSJYYQUMXBBV-YADHBBJMSA-N 1 3 354.494 2.601 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)CC(C)C ZINC000182286718 510844156 /nfs/dbraw/zinc/84/41/56/510844156.db2.gz ARVNPAWLGYRKEG-FHWLQOOXSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247316962 510856705 /nfs/dbraw/zinc/85/67/05/510856705.db2.gz KRWPVWNXROSYLK-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247316962 510856706 /nfs/dbraw/zinc/85/67/06/510856706.db2.gz KRWPVWNXROSYLK-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282169347 510873059 /nfs/dbraw/zinc/87/30/59/510873059.db2.gz DYRUXDLURPHOCH-QGZVFWFLSA-N 1 3 360.546 2.582 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC000282178920 510875049 /nfs/dbraw/zinc/87/50/49/510875049.db2.gz FNKPMNBYTRDEGR-PZJWPPBQSA-N 1 3 358.574 2.655 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000270525195 510896855 /nfs/dbraw/zinc/89/68/55/510896855.db2.gz SQSALHNLDKEVHO-PWRODBHTSA-N 1 3 356.510 2.691 20 0 FFADHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Br ZINC000282344900 510938811 /nfs/dbraw/zinc/93/88/11/510938811.db2.gz MKKPBEMXOXJHJV-UHFFFAOYSA-N 1 3 370.335 2.573 20 0 FFADHO CN1CCC[C@H](CNC(=O)CCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000364850272 511113714 /nfs/dbraw/zinc/11/37/14/511113714.db2.gz KKHQIHFFWWTSJA-RHSMWYFYSA-N 1 3 357.420 2.943 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000362287424 511162162 /nfs/dbraw/zinc/16/21/62/511162162.db2.gz VRAOHRGXMCPMTD-QGZVFWFLSA-N 1 3 350.466 2.578 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000362287424 511162166 /nfs/dbraw/zinc/16/21/66/511162166.db2.gz VRAOHRGXMCPMTD-QGZVFWFLSA-N 1 3 350.466 2.578 20 0 FFADHO CN(Cc1cc(C[N@H+](C)C[C@@H]2CCOC2)ccc1F)C[C@H]1CCOC1 ZINC000294903417 511214463 /nfs/dbraw/zinc/21/44/63/511214463.db2.gz HHFAKQWOVKEBHR-ZWKOTPCHSA-N 1 3 350.478 2.762 20 0 FFADHO CN(Cc1cc(C[N@@H+](C)C[C@@H]2CCOC2)ccc1F)C[C@H]1CCOC1 ZINC000294903417 511214466 /nfs/dbraw/zinc/21/44/66/511214466.db2.gz HHFAKQWOVKEBHR-ZWKOTPCHSA-N 1 3 350.478 2.762 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000294936024 511226149 /nfs/dbraw/zinc/22/61/49/511226149.db2.gz BNBVYCNJQKEGKQ-CQSZACIVSA-N 1 3 357.267 2.622 20 0 FFADHO COc1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)c(OC)c1OC ZINC000298341171 511251372 /nfs/dbraw/zinc/25/13/72/511251372.db2.gz JGQREMRZUXTSQU-UHFFFAOYSA-N 1 3 357.454 2.866 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc21 ZINC000283365530 511337895 /nfs/dbraw/zinc/33/78/95/511337895.db2.gz NPQBDVCRNYWPBD-RTWAWAEBSA-N 1 3 373.541 2.785 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H]1CCOC1 ZINC000280750622 511588517 /nfs/dbraw/zinc/58/85/17/511588517.db2.gz DTVUKFGQPZJKND-LLVBAIKDSA-N 1 3 358.526 2.522 20 0 FFADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OCC(=O)N(C)C ZINC000296092767 511617027 /nfs/dbraw/zinc/61/70/27/511617027.db2.gz YGXCGBZZUBAUOP-PHSGOXPASA-N 1 3 359.514 2.820 20 0 FFADHO C[N@H+](CCN1CCN(CCCC2CCOCC2)CC1)Cc1ccccc1 ZINC000274191330 511749097 /nfs/dbraw/zinc/74/90/97/511749097.db2.gz IBJMLBURBBWNOG-UHFFFAOYSA-N 1 3 359.558 2.943 20 0 FFADHO C[N@@H+](CCN1CCN(CCCC2CCOCC2)CC1)Cc1ccccc1 ZINC000274191330 511749105 /nfs/dbraw/zinc/74/91/05/511749105.db2.gz IBJMLBURBBWNOG-UHFFFAOYSA-N 1 3 359.558 2.943 20 0 FFADHO CN(c1ccnc(Cc2ccccc2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363794384 511772094 /nfs/dbraw/zinc/77/20/94/511772094.db2.gz CBAOYWNBAHXHTO-FQEVSTJZSA-N 1 3 365.525 2.672 20 0 FFADHO C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000363830653 511794760 /nfs/dbraw/zinc/79/47/60/511794760.db2.gz QTOIZWHSLPANCP-OXJNMPFZSA-N 1 3 372.513 2.544 20 0 FFADHO C[NH+]1CCC(CC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000366262912 511929215 /nfs/dbraw/zinc/92/92/15/511929215.db2.gz IKSSMPGXKMKTMX-UHFFFAOYSA-N 1 3 361.452 2.640 20 0 FFADHO Cn1ncc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000293734943 512067910 /nfs/dbraw/zinc/06/79/10/512067910.db2.gz ORDNPRVYWNNKPI-SESVDKBCSA-N 1 3 353.514 2.638 20 0 FFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282120948 512081997 /nfs/dbraw/zinc/08/19/97/512081997.db2.gz ASRVRZMUFQFYSN-SJORKVTESA-N 1 3 363.546 2.811 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000377937083 512519696 /nfs/dbraw/zinc/51/96/96/512519696.db2.gz FJMLXERKNMWBPO-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000377937083 512519702 /nfs/dbraw/zinc/51/97/02/512519702.db2.gz FJMLXERKNMWBPO-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCN1C1CCOCC1 ZINC000373875448 512548765 /nfs/dbraw/zinc/54/87/65/512548765.db2.gz BZHHZZCXUCYLPH-UXHICEINSA-N 1 3 363.546 2.543 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCN1C1CCOCC1 ZINC000373875448 512548767 /nfs/dbraw/zinc/54/87/67/512548767.db2.gz BZHHZZCXUCYLPH-UXHICEINSA-N 1 3 363.546 2.543 20 0 FFADHO C[C@H](NC(=O)N1CCCC12CCN(C)CC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376072803 512647701 /nfs/dbraw/zinc/64/77/01/512647701.db2.gz XECMEQSHDMHIBT-ROUUACIJSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](NC(=O)N1CCCC12CCN(C)CC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000376072803 512647704 /nfs/dbraw/zinc/64/77/04/512647704.db2.gz XECMEQSHDMHIBT-ROUUACIJSA-N 1 3 362.562 2.909 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000371983333 512665885 /nfs/dbraw/zinc/66/58/85/512665885.db2.gz GOPCRLWXUYRQPO-KCZVDYSFSA-N 1 3 358.574 2.513 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@H]1c1cccs1 ZINC000372106294 512719135 /nfs/dbraw/zinc/71/91/35/512719135.db2.gz XVMVJKHJTNNALK-HKUYNNGSSA-N 1 3 369.534 2.744 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@H]1c1cccs1 ZINC000372106294 512719139 /nfs/dbraw/zinc/71/91/39/512719139.db2.gz XVMVJKHJTNNALK-HKUYNNGSSA-N 1 3 369.534 2.744 20 0 FFADHO COCC[NH+]1CCC(NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000411620362 512722914 /nfs/dbraw/zinc/72/29/14/512722914.db2.gz MKXGDHXTOIPGSU-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO CCN1CC[C@H]2OCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000411765411 512800563 /nfs/dbraw/zinc/80/05/63/512800563.db2.gz CCWXAFMWRWEEQW-FCHUYYIVSA-N 1 3 357.542 2.968 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000376654329 512922282 /nfs/dbraw/zinc/92/22/82/512922282.db2.gz XPXTZUAZHRLYCE-LAUBAEHRSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000398057412 512954136 /nfs/dbraw/zinc/95/41/36/512954136.db2.gz LQCRESJJQSYERP-QMMLZNLJSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000398057412 512954142 /nfs/dbraw/zinc/95/41/42/512954142.db2.gz LQCRESJJQSYERP-QMMLZNLJSA-N 1 3 351.494 2.583 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370633132 513024427 /nfs/dbraw/zinc/02/44/27/513024427.db2.gz FSHXOLHESTYJJQ-PXNSSMCTSA-N 1 3 367.541 3.000 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000370632489 513024782 /nfs/dbraw/zinc/02/47/82/513024782.db2.gz BEBXFDIPPYHART-HKUYNNGSSA-N 1 3 370.541 2.633 20 0 FFADHO COc1ccc2oc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000370703844 513061401 /nfs/dbraw/zinc/06/14/01/513061401.db2.gz VAHVNIFEFCZXCA-OXQOHEQNSA-N 1 3 357.498 2.899 20 0 FFADHO COc1ccc2oc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2c1 ZINC000370703844 513061405 /nfs/dbraw/zinc/06/14/05/513061405.db2.gz VAHVNIFEFCZXCA-OXQOHEQNSA-N 1 3 357.498 2.899 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705625 513063521 /nfs/dbraw/zinc/06/35/21/513063521.db2.gz HWXTWWLWSZIHEP-LPHOPBHVSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705625 513063523 /nfs/dbraw/zinc/06/35/23/513063523.db2.gz HWXTWWLWSZIHEP-LPHOPBHVSA-N 1 3 367.484 2.788 20 0 FFADHO Cc1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c(OCCN(C)C)c1 ZINC000415202780 513151688 /nfs/dbraw/zinc/15/16/88/513151688.db2.gz JLJPNADKPHXGQX-UHFFFAOYSA-N 1 3 374.529 2.933 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417690579 513164179 /nfs/dbraw/zinc/16/41/79/513164179.db2.gz VGQBJZKKGYLNRY-SIKLNZKXSA-N 1 3 372.557 2.840 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000417691152 513165551 /nfs/dbraw/zinc/16/55/51/513165551.db2.gz MJQZHNYENAEFCZ-JENIJYKNSA-N 1 3 358.530 2.981 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417703719 513173006 /nfs/dbraw/zinc/17/30/06/513173006.db2.gz PTWHXUARBZPXMC-MSOLQXFVSA-N 1 3 350.551 2.671 20 0 FFADHO C[NH2+]CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417751651 513194877 /nfs/dbraw/zinc/19/48/77/513194877.db2.gz ZFRORTHRIPEJMP-GOEBONIOSA-N 1 3 372.435 2.607 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000433954221 513197357 /nfs/dbraw/zinc/19/73/57/513197357.db2.gz QRALOFVGIAYBKE-HXUWFJFHSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000433954221 513197360 /nfs/dbraw/zinc/19/73/60/513197360.db2.gz QRALOFVGIAYBKE-HXUWFJFHSA-N 1 3 358.530 2.954 20 0 FFADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415313601 513200131 /nfs/dbraw/zinc/20/01/31/513200131.db2.gz VNKWJNOBEFZRBC-FUHWJXTLSA-N 1 3 360.502 2.800 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000417828303 513224228 /nfs/dbraw/zinc/22/42/28/513224228.db2.gz FEBMVVFSWOKAMB-QAEMCNGASA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CN1C1CC1 ZINC000428952056 513231397 /nfs/dbraw/zinc/23/13/97/513231397.db2.gz BJYFIZFKEOOURH-FKPGQJDZSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CN1C1CC1 ZINC000428952056 513231402 /nfs/dbraw/zinc/23/14/02/513231402.db2.gz BJYFIZFKEOOURH-FKPGQJDZSA-N 1 3 370.541 2.821 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)[C@@H](C)c3ccccc3)CC2)CC1 ZINC000450634579 513282636 /nfs/dbraw/zinc/28/26/36/513282636.db2.gz GVYGOCZVTUPSDL-UGKGYDQZSA-N 1 3 359.558 2.641 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000417976704 513313382 /nfs/dbraw/zinc/31/33/82/513313382.db2.gz YTUFBLVGFBKQMH-INIZCTEOSA-N 1 3 367.497 2.817 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417977139 513313464 /nfs/dbraw/zinc/31/34/64/513313464.db2.gz GUWZAIBHCDCHQV-MRXNPFEDSA-N 1 3 352.482 2.610 20 0 FFADHO CN(Cc1cc(C[N@H+](C)C2CC(O)C2)cc(C(F)(F)F)c1)C1CC(O)C1 ZINC000450747805 513325017 /nfs/dbraw/zinc/32/50/17/513325017.db2.gz UYLCFKNPCSGXSI-UHFFFAOYSA-N 1 3 372.431 2.616 20 0 FFADHO CN(Cc1cc(C[N@@H+](C)C2CC(O)C2)cc(C(F)(F)F)c1)C1CC(O)C1 ZINC000450747805 513325019 /nfs/dbraw/zinc/32/50/19/513325019.db2.gz UYLCFKNPCSGXSI-UHFFFAOYSA-N 1 3 372.431 2.616 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[NH+](CC)CC ZINC000429331532 513343334 /nfs/dbraw/zinc/34/33/34/513343334.db2.gz RIZPEJHBOIASHZ-PMACEKPBSA-N 1 3 361.530 2.514 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418030770 513343903 /nfs/dbraw/zinc/34/39/03/513343903.db2.gz KACQGMCDZKHTRQ-RLLQIKCJSA-N 1 3 360.546 2.830 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418038681 513346145 /nfs/dbraw/zinc/34/61/45/513346145.db2.gz SPDYYKJYEGYFPX-VQTJNVASSA-N 1 3 358.530 2.679 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000418038615 513346343 /nfs/dbraw/zinc/34/63/43/513346343.db2.gz SLLZDVATIPENEO-WOJBJXKFSA-N 1 3 360.546 2.784 20 0 FFADHO C[C@@]1(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418048529 513352802 /nfs/dbraw/zinc/35/28/02/513352802.db2.gz VZXATEMZDQCPRC-RXVVDRJESA-N 1 3 358.530 2.730 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000421708972 513381375 /nfs/dbraw/zinc/38/13/75/513381375.db2.gz BTYXKIRIWUGGLM-ZWKOTPCHSA-N 1 3 365.468 2.696 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000421708972 513381382 /nfs/dbraw/zinc/38/13/82/513381382.db2.gz BTYXKIRIWUGGLM-ZWKOTPCHSA-N 1 3 365.468 2.696 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418129274 513383681 /nfs/dbraw/zinc/38/36/81/513383681.db2.gz BFAATIXMWUUWIO-UXHICEINSA-N 1 3 360.546 2.912 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418149880 513390638 /nfs/dbraw/zinc/39/06/38/513390638.db2.gz BYEQFZMQZFPMIV-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000418159637 513398158 /nfs/dbraw/zinc/39/81/58/513398158.db2.gz ZEVBSOYROAHELX-FPOVZHCZSA-N 1 3 358.530 2.586 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000440775377 513402484 /nfs/dbraw/zinc/40/24/84/513402484.db2.gz NPROTZLEYQSZLE-YQVWRLOYSA-N 1 3 350.551 2.667 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccco1 ZINC000418172544 513405407 /nfs/dbraw/zinc/40/54/07/513405407.db2.gz WWPTUHBNQACRAB-BHYGNILZSA-N 1 3 350.507 2.916 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000418187893 513411826 /nfs/dbraw/zinc/41/18/26/513411826.db2.gz SXWMOBQRDVGIIX-SJORKVTESA-N 1 3 352.910 2.774 20 0 FFADHO C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000418188365 513413543 /nfs/dbraw/zinc/41/35/43/513413543.db2.gz UEJISJQLUSYCJZ-RXVVDRJESA-N 1 3 368.525 2.891 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415810938 513433403 /nfs/dbraw/zinc/43/34/03/513433403.db2.gz WPPZDMVODSXQDL-OAHLLOKOSA-N 1 3 368.909 2.918 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418234042 513433797 /nfs/dbraw/zinc/43/37/97/513433797.db2.gz PPSYLTSEMCYPMD-HFTRVMKXSA-N 1 3 364.559 2.780 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418236712 513435282 /nfs/dbraw/zinc/43/52/82/513435282.db2.gz UYWRNZLEYZBSDU-LESCRADOSA-N 1 3 364.559 2.638 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418234081 513435815 /nfs/dbraw/zinc/43/58/15/513435815.db2.gz HZYWHMNBISWXLB-MOPGFXCFSA-N 1 3 350.551 2.528 20 0 FFADHO CN(C(=O)NCC[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000418337225 513469958 /nfs/dbraw/zinc/46/99/58/513469958.db2.gz BMXNOENBPFUWCP-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000415930214 513483984 /nfs/dbraw/zinc/48/39/84/513483984.db2.gz JVNOVUSTKGKPCM-UHFFFAOYSA-N 1 3 353.470 2.839 20 0 FFADHO CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418404494 513497337 /nfs/dbraw/zinc/49/73/37/513497337.db2.gz CNLDKTVCACELJR-HSALFYBXSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418418270 513501326 /nfs/dbraw/zinc/50/13/26/513501326.db2.gz VYPYTTDRLAMNEQ-RDTXWAMCSA-N 1 3 368.472 2.556 20 0 FFADHO [NH3+][C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000418438816 513510064 /nfs/dbraw/zinc/51/00/64/513510064.db2.gz ZCTPWMNQBFJFNA-HXUWFJFHSA-N 1 3 352.482 2.604 20 0 FFADHO CCN(Cc1occc1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000413207127 513521107 /nfs/dbraw/zinc/52/11/07/513521107.db2.gz QOXIGIKUCOSFPR-UHFFFAOYSA-N 1 3 362.518 2.678 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000415992049 513523273 /nfs/dbraw/zinc/52/32/73/513523273.db2.gz ANKMGQBIRVSKSJ-FVQBIDKESA-N 1 3 372.435 2.618 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000430030848 513531141 /nfs/dbraw/zinc/53/11/41/513531141.db2.gz WLDSZQIZLWFRQM-TZIWHRDSSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000430030848 513531146 /nfs/dbraw/zinc/53/11/46/513531146.db2.gz WLDSZQIZLWFRQM-TZIWHRDSSA-N 1 3 358.530 2.825 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418496706 513532590 /nfs/dbraw/zinc/53/25/90/513532590.db2.gz FPYPEDHMWARCPG-FQEVSTJZSA-N 1 3 354.498 2.823 20 0 FFADHO NC[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC000418498162 513533031 /nfs/dbraw/zinc/53/30/31/513533031.db2.gz JMUFVQBNNPQCIL-BHDDXSALSA-N 1 3 374.488 2.894 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2ccccc2c1 ZINC000418503819 513535840 /nfs/dbraw/zinc/53/58/40/513535840.db2.gz ZNIDQLMJJIVIHR-WCIQWLHISA-N 1 3 352.482 2.527 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418503397 513537091 /nfs/dbraw/zinc/53/70/91/513537091.db2.gz YKILEICZZWQFSL-VQTJNVASSA-N 1 3 354.498 2.965 20 0 FFADHO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000418535787 513547050 /nfs/dbraw/zinc/54/70/50/513547050.db2.gz IBZAYNLWVGBWLA-OAQYLSRUSA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345804 513547112 /nfs/dbraw/zinc/54/71/12/513547112.db2.gz IAESMVVSPBRQOO-FQEVSTJZSA-N 1 3 357.542 2.991 20 0 FFADHO CCN(C(=O)NCC1=CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418537097 513547552 /nfs/dbraw/zinc/54/75/52/513547552.db2.gz IBNXDJMOVXLLST-PXNSSMCTSA-N 1 3 356.514 2.773 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418562864 513559963 /nfs/dbraw/zinc/55/99/63/513559963.db2.gz GWOYPFWSTZSNNC-ZDUSSCGKSA-N 1 3 373.328 2.948 20 0 FFADHO C[C@H]1C[C@H](C[NH3+])CN1CCCOc1cccc(I)c1 ZINC000435375626 513568920 /nfs/dbraw/zinc/56/89/20/513568920.db2.gz VVKGJIATRSLXOI-QWHCGFSZSA-N 1 3 374.266 2.729 20 0 FFADHO [NH3+]C[C@@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)C1CCCC1 ZINC000418616483 513578211 /nfs/dbraw/zinc/57/82/11/513578211.db2.gz HQKOBRGEXRUGMK-OAQYLSRUSA-N 1 3 372.557 2.854 20 0 FFADHO CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418629954 513583092 /nfs/dbraw/zinc/58/30/92/513583092.db2.gz WYBLVBWDCGTUDI-PMACEKPBSA-N 1 3 358.530 2.810 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000418642545 513588357 /nfs/dbraw/zinc/58/83/57/513588357.db2.gz ASNOUAJVNVQYQP-UYAOXDASSA-N 1 3 358.530 2.622 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000416172701 513620681 /nfs/dbraw/zinc/62/06/81/513620681.db2.gz XRQIWNGKCRSRSN-UHFFFAOYSA-N 1 3 355.526 2.958 20 0 FFADHO C[C@H]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418771322 513649290 /nfs/dbraw/zinc/64/92/90/513649290.db2.gz OZRFLUHONRIYQE-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418777854 513653613 /nfs/dbraw/zinc/65/36/13/513653613.db2.gz YXEFGANBSZIQIK-BWPNAZKDSA-N 1 3 358.530 2.981 20 0 FFADHO O=C(C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)NC1CCN(C2CC2)CC1 ZINC000451296210 513660852 /nfs/dbraw/zinc/66/08/52/513660852.db2.gz LSLYGCCETJFIOQ-BBRMVZONSA-N 1 3 361.452 2.830 20 0 FFADHO CN(C)C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000416234710 513664343 /nfs/dbraw/zinc/66/43/43/513664343.db2.gz PKKSETFYFQANOQ-OAQYLSRUSA-N 1 3 369.484 2.993 20 0 FFADHO COc1cc(NC(=O)CCN[C@](C)(C[NH3+])C(C)C)c(OC)cc1Cl ZINC000430550797 513684986 /nfs/dbraw/zinc/68/49/86/513684986.db2.gz KYEUFLBOZXZFOJ-QGZVFWFLSA-N 1 3 357.882 2.649 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448255016 513720976 /nfs/dbraw/zinc/72/09/76/513720976.db2.gz HSZJZYYEHCRVFK-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430682719 513721351 /nfs/dbraw/zinc/72/13/51/513721351.db2.gz UJZCLJYQICTFQG-VQTJNVASSA-N 1 3 359.514 2.880 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000448262526 513722836 /nfs/dbraw/zinc/72/28/36/513722836.db2.gz XXXRNJYVONZSCW-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419546 513740780 /nfs/dbraw/zinc/74/07/80/513740780.db2.gz LLPLHBDZKSOODA-CPIJNGAXSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@H](CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419546 513740788 /nfs/dbraw/zinc/74/07/88/513740788.db2.gz LLPLHBDZKSOODA-CPIJNGAXSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451419546 513740791 /nfs/dbraw/zinc/74/07/91/513740791.db2.gz LLPLHBDZKSOODA-CPIJNGAXSA-N 1 3 364.574 2.873 20 0 FFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451419546 513740798 /nfs/dbraw/zinc/74/07/98/513740798.db2.gz LLPLHBDZKSOODA-CPIJNGAXSA-N 1 3 364.574 2.873 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000430806595 513753569 /nfs/dbraw/zinc/75/35/69/513753569.db2.gz MGBWAIATUMFFSK-LMMKCTJWSA-N 1 3 357.523 2.990 20 0 FFADHO Cc1cc(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000430814293 513755796 /nfs/dbraw/zinc/75/57/96/513755796.db2.gz IDYNTCLYWDJUIE-HNAYVOBHSA-N 1 3 355.486 2.733 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443059774 513856398 /nfs/dbraw/zinc/85/63/98/513856398.db2.gz DEHAJESOVGTBKS-QYAKYFNYSA-N 1 3 367.537 2.888 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443059774 513856404 /nfs/dbraw/zinc/85/64/04/513856404.db2.gz DEHAJESOVGTBKS-QYAKYFNYSA-N 1 3 367.537 2.888 20 0 FFADHO C[C@@H]1C[C@H](NC2CCN(c3cc[nH+]cc3)CC2)C(=O)N1c1ccccc1 ZINC000436471496 513863471 /nfs/dbraw/zinc/86/34/71/513863471.db2.gz UHNMQAOQCGSFID-UZLBHIALSA-N 1 3 350.466 2.834 20 0 FFADHO c1cc(N2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)ccn1 ZINC000436481369 513868349 /nfs/dbraw/zinc/86/83/49/513868349.db2.gz ZCDPNYPPXYNJRD-UHFFFAOYSA-N 1 3 358.530 2.675 20 0 FFADHO C(CN1CCSC[C@@H]1C1CC1)OCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451645986 513884804 /nfs/dbraw/zinc/88/48/04/513884804.db2.gz CRPQQADDYHGVJC-QZTJIDSGSA-N 1 3 356.601 2.658 20 0 FFADHO C(CN1CCSC[C@@H]1C1CC1)OCC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451645986 513884812 /nfs/dbraw/zinc/88/48/12/513884812.db2.gz CRPQQADDYHGVJC-QZTJIDSGSA-N 1 3 356.601 2.658 20 0 FFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000422696948 513905433 /nfs/dbraw/zinc/90/54/33/513905433.db2.gz SPXKIBYQOLZPIQ-VXKWHMMOSA-N 1 3 358.574 2.834 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cc(F)ccc2OC)CC[NH2+]CC1 ZINC000422692961 513905515 /nfs/dbraw/zinc/90/55/15/513905515.db2.gz LECHCWYHESZNDP-KGLIPLIRSA-N 1 3 352.450 2.806 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)[C@H](C)C1 ZINC000426341701 513908118 /nfs/dbraw/zinc/90/81/18/513908118.db2.gz FDDNKQQUXMJFHX-YLJYHZDGSA-N 1 3 371.525 2.765 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000422715815 513909782 /nfs/dbraw/zinc/90/97/82/513909782.db2.gz MSYDOSHNJZXPSP-YCRPNKLZSA-N 1 3 372.488 2.712 20 0 FFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(OC(F)(F)F)c1 ZINC000422798113 513936123 /nfs/dbraw/zinc/93/61/23/513936123.db2.gz PTZWMEOHSORCAU-LSVZVQIISA-N 1 3 358.404 2.609 20 0 FFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1cccc(Br)c1 ZINC000422800023 513936264 /nfs/dbraw/zinc/93/62/64/513936264.db2.gz ZDIBZJIUAKNCCL-NOXHYTERSA-N 1 3 357.292 2.558 20 0 FFADHO Brc1ccccc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422823545 513941989 /nfs/dbraw/zinc/94/19/89/513941989.db2.gz DRUYEZGMPXNNIS-BHYGNILZSA-N 1 3 353.304 2.738 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H]3CCC[C@H]32)CC1 ZINC000426460696 513947496 /nfs/dbraw/zinc/94/74/96/513947496.db2.gz PZTAZWDGVBPAAP-GHTZIAJQSA-N 1 3 355.526 2.950 20 0 FFADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422855206 513952982 /nfs/dbraw/zinc/95/29/82/513952982.db2.gz DSPKDRATXATSMG-PSWRPDDJSA-N 1 3 356.558 2.707 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H](C3CC3)[C@H]3CNCCO3)cc2)C1 ZINC000422852432 513954151 /nfs/dbraw/zinc/95/41/51/513954151.db2.gz ANTUJBXGHCECMK-YHYVQYDKSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H](C3CC3)[C@H]3CNCCO3)cc2)C1 ZINC000422852432 513954155 /nfs/dbraw/zinc/95/41/55/513954155.db2.gz ANTUJBXGHCECMK-YHYVQYDKSA-N 1 3 357.542 2.775 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422856788 513954221 /nfs/dbraw/zinc/95/42/21/513954221.db2.gz GLSGMNMOORIHJY-ROUUACIJSA-N 1 3 367.541 2.710 20 0 FFADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)C1 ZINC000422885420 513964726 /nfs/dbraw/zinc/96/47/26/513964726.db2.gz YOVDLWRIISGQSC-BURFUSLBSA-N 1 3 351.922 2.817 20 0 FFADHO CN(C)[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000416805132 513974633 /nfs/dbraw/zinc/97/46/33/513974633.db2.gz KMXDINYMRIKFTJ-HXUWFJFHSA-N 1 3 354.498 2.850 20 0 FFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416836081 513991419 /nfs/dbraw/zinc/99/14/19/513991419.db2.gz GAJCOJQQROAGGY-OAQYLSRUSA-N 1 3 366.509 2.822 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416836219 513992630 /nfs/dbraw/zinc/99/26/30/513992630.db2.gz ZKLCORNNAWXFAX-QRFRQXIXSA-N 1 3 374.529 2.519 20 0 FFADHO COc1cc(CN[C@@H]2COCC2(C)C)cc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000451816413 513998444 /nfs/dbraw/zinc/99/84/44/513998444.db2.gz ZDENCXXSVIXNFG-RTBURBONSA-N 1 3 362.514 2.724 20 0 FFADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414183736 514001957 /nfs/dbraw/zinc/00/19/57/514001957.db2.gz FKFOYUASVJDQOQ-PMACEKPBSA-N 1 3 351.579 2.978 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000416859252 514009017 /nfs/dbraw/zinc/00/90/17/514009017.db2.gz ZSYAQTGDGSKLEY-JXFKEZNVSA-N 1 3 354.498 2.678 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000416859272 514009439 /nfs/dbraw/zinc/00/94/39/514009439.db2.gz ZUFMBTQRLGVUBA-IAGOWNOFSA-N 1 3 364.559 2.962 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cnc2ccsc2c1 ZINC000414207657 514012643 /nfs/dbraw/zinc/01/26/43/514012643.db2.gz ZQNYXHGLEJWNIH-MRXNPFEDSA-N 1 3 374.554 2.744 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@H]3CC[NH2+]CC[C@H]3C)nc12 ZINC000423041413 514016854 /nfs/dbraw/zinc/01/68/54/514016854.db2.gz XABLNBGXVKRIPU-WBMJQRKESA-N 1 3 365.319 2.925 20 0 FFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCNCC[C@H]3C)nc12 ZINC000423041413 514016858 /nfs/dbraw/zinc/01/68/58/514016858.db2.gz XABLNBGXVKRIPU-WBMJQRKESA-N 1 3 365.319 2.925 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1cccc(Br)c1 ZINC000423070315 514027366 /nfs/dbraw/zinc/02/73/66/514027366.db2.gz CNJWWQYUCRHWQR-UNEWFSDZSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423070315 514027375 /nfs/dbraw/zinc/02/73/75/514027375.db2.gz CNJWWQYUCRHWQR-UNEWFSDZSA-N 1 3 355.320 2.578 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416892663 514028309 /nfs/dbraw/zinc/02/83/09/514028309.db2.gz BEPOQGYBAAUVMP-UXHICEINSA-N 1 3 356.514 2.566 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](COC)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423088880 514037119 /nfs/dbraw/zinc/03/71/19/514037119.db2.gz RDDFZYSBNIHIOM-WMLDXEAASA-N 1 3 368.905 2.939 20 0 FFADHO O=C(Cc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423098481 514041246 /nfs/dbraw/zinc/04/12/46/514041246.db2.gz CWJVIULEEVKTFE-DOIPELPJSA-N 1 3 355.526 2.730 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](CCO)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423121772 514050293 /nfs/dbraw/zinc/05/02/93/514050293.db2.gz IVPXVPVCNNHASY-YOEHRIQHSA-N 1 3 368.905 2.675 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000416928955 514051058 /nfs/dbraw/zinc/05/10/58/514051058.db2.gz VWOUSMQZNJGNON-IEBWSBKVSA-N 1 3 362.518 2.519 20 0 FFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336556 514054436 /nfs/dbraw/zinc/05/44/36/514054436.db2.gz IHSNQUAUFGWNKV-PZJWPPBQSA-N 1 3 373.541 2.679 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449080375 514063413 /nfs/dbraw/zinc/06/34/13/514063413.db2.gz VRIWFGSMHZVHGI-CYBMUJFWSA-N 1 3 358.299 2.704 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000416972948 514078763 /nfs/dbraw/zinc/07/87/63/514078763.db2.gz JGDUIJDVFQVFQN-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000416972948 514078767 /nfs/dbraw/zinc/07/87/67/514078767.db2.gz JGDUIJDVFQVFQN-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO N[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000416982612 514090587 /nfs/dbraw/zinc/09/05/87/514090587.db2.gz MJLLDNKDELJSMW-FQEVSTJZSA-N 1 3 352.482 2.782 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@H]21 ZINC000420316468 514091353 /nfs/dbraw/zinc/09/13/53/514091353.db2.gz YFFAABGLQHEMAL-MCPWVCTESA-N 1 3 351.853 2.644 20 0 FFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1=O ZINC000420321936 514093077 /nfs/dbraw/zinc/09/30/77/514093077.db2.gz DGBJSAWULURXDQ-UWVAXJGDSA-N 1 3 359.489 2.951 20 0 FFADHO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323994 514093638 /nfs/dbraw/zinc/09/36/38/514093638.db2.gz AKMZBPHCMHYKOS-DZFGPLHGSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000423290236 514100879 /nfs/dbraw/zinc/10/08/79/514100879.db2.gz CNKMTQYEJDRRSH-GJZGRUSLSA-N 1 3 361.511 2.807 20 0 FFADHO C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000420341002 514101455 /nfs/dbraw/zinc/10/14/55/514101455.db2.gz POYXSRPCGAGAGB-HBGVWJBISA-N 1 3 351.494 2.948 20 0 FFADHO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420339602 514101663 /nfs/dbraw/zinc/10/16/63/514101663.db2.gz OMLKVHFSDWVEPK-MELADBBJSA-N 1 3 355.404 2.964 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000423293904 514103157 /nfs/dbraw/zinc/10/31/57/514103157.db2.gz SLBVXJSAMVLDQL-YJYMSZOUSA-N 1 3 359.495 2.521 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000423340946 514113800 /nfs/dbraw/zinc/11/38/00/514113800.db2.gz JREODXMRWWEQIE-ZIFCJYIRSA-N 1 3 361.530 2.718 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000423354785 514115151 /nfs/dbraw/zinc/11/51/51/514115151.db2.gz GXUFVBKHCKJMRH-LEWJYISDSA-N 1 3 357.542 2.965 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000423354785 514115160 /nfs/dbraw/zinc/11/51/60/514115160.db2.gz GXUFVBKHCKJMRH-LEWJYISDSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000423358031 514116832 /nfs/dbraw/zinc/11/68/32/514116832.db2.gz NAWGGELLFGQDAM-ZACQAIPSSA-N 1 3 359.514 2.668 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000423358028 514116917 /nfs/dbraw/zinc/11/69/17/514116917.db2.gz NAWGGELLFGQDAM-BBWFWOEESA-N 1 3 359.514 2.668 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)NCCc2ccc(OCCN(C)C)cc2)cc1 ZINC000423371411 514120620 /nfs/dbraw/zinc/12/06/20/514120620.db2.gz FNMSIOQIKXPURP-INIZCTEOSA-N 1 3 355.482 2.619 20 0 FFADHO CC[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000417015503 514120829 /nfs/dbraw/zinc/12/08/29/514120829.db2.gz MPGUISNVIBCGSU-AHRSYUTCSA-N 1 3 358.530 2.735 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000417014696 514120857 /nfs/dbraw/zinc/12/08/57/514120857.db2.gz DUWQDJHGFYHIFK-QGZVFWFLSA-N 1 3 366.509 2.954 20 0 FFADHO CC(C)Oc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423380640 514123155 /nfs/dbraw/zinc/12/31/55/514123155.db2.gz HGVOUGBMRHZCAY-WMLDXEAASA-N 1 3 359.436 2.961 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417021773 514124724 /nfs/dbraw/zinc/12/47/24/514124724.db2.gz KGMQCAYOKUSXMN-NRFANRHFSA-N 1 3 366.509 2.994 20 0 FFADHO C[C@H]1CCN(CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000420395935 514129047 /nfs/dbraw/zinc/12/90/47/514129047.db2.gz DTVHEAAVGIBECP-QWHCGFSZSA-N 1 3 354.292 2.694 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000417039257 514135985 /nfs/dbraw/zinc/13/59/85/514135985.db2.gz VATJEPLSDQYZCZ-QWFCFKBJSA-N 1 3 358.530 2.888 20 0 FFADHO C[C@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000420416836 514140603 /nfs/dbraw/zinc/14/06/03/514140603.db2.gz VYEUCOAUKHPLNP-RYUDHWBXSA-N 1 3 372.282 2.834 20 0 FFADHO CC(C)(CNC(=O)NCCC[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000417089839 514163227 /nfs/dbraw/zinc/16/32/27/514163227.db2.gz RWXGIXBCSRUJEU-IBGZPJMESA-N 1 3 358.530 2.655 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](CO)c2cccnc2)CC1 ZINC000449330204 514167736 /nfs/dbraw/zinc/16/77/36/514167736.db2.gz KKRXPXLIXGCVLT-NQIIRXRSSA-N 1 3 353.510 2.843 20 0 FFADHO CC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423573591 514172677 /nfs/dbraw/zinc/17/26/77/514172677.db2.gz OXUFUXUABJOSST-XUVXKRRUSA-N 1 3 355.526 2.875 20 0 FFADHO C[C@@H](CNCC(=O)NCC[NH+]1CCCCCC1)c1cc(F)cc(F)c1 ZINC000449341831 514173130 /nfs/dbraw/zinc/17/31/30/514173130.db2.gz WWGGGUSNTFWDIJ-HNNXBMFYSA-N 1 3 353.457 2.650 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000417113465 514175270 /nfs/dbraw/zinc/17/52/70/514175270.db2.gz MXNGGNKYKMVNCT-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO COc1cccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414560593 514180262 /nfs/dbraw/zinc/18/02/62/514180262.db2.gz WZRGUJAWXDZRKD-UHFFFAOYSA-N 1 3 367.493 2.682 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000449362538 514181155 /nfs/dbraw/zinc/18/11/55/514181155.db2.gz NCLNGKSZNBRJDB-OAQYLSRUSA-N 1 3 371.500 2.661 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000417208764 514231003 /nfs/dbraw/zinc/23/10/03/514231003.db2.gz BNYALGQBHKHQMC-UXHICEINSA-N 1 3 358.530 2.901 20 0 FFADHO CC1CCN([C@H](CNC(=O)N(C)C2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000417208349 514231175 /nfs/dbraw/zinc/23/11/75/514231175.db2.gz ARXKNAZHVWCRBV-HXUWFJFHSA-N 1 3 358.530 2.853 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000417214649 514235098 /nfs/dbraw/zinc/23/50/98/514235098.db2.gz LHODIJWSXJBPKY-PCCBWWKXSA-N 1 3 370.541 2.711 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000417219732 514240799 /nfs/dbraw/zinc/24/07/99/514240799.db2.gz WLEJFMJXRFMKAC-UYAOXDASSA-N 1 3 358.530 2.758 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000417224727 514244145 /nfs/dbraw/zinc/24/41/45/514244145.db2.gz VZJUMKZRPMWXBG-NQIIRXRSSA-N 1 3 366.509 2.992 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000414703817 514249468 /nfs/dbraw/zinc/24/94/68/514249468.db2.gz MIBZCOMPRYKOJG-HNNXBMFYSA-N 1 3 365.468 2.907 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000414703817 514249476 /nfs/dbraw/zinc/24/94/76/514249476.db2.gz MIBZCOMPRYKOJG-HNNXBMFYSA-N 1 3 365.468 2.907 20 0 FFADHO C[NH+](C)CCCOC1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423835222 514255648 /nfs/dbraw/zinc/25/56/48/514255648.db2.gz HOYMDBWWUIVPJE-IBGZPJMESA-N 1 3 361.530 2.672 20 0 FFADHO C[C@@H]1C[C@H](CN2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)CC[NH2+]1 ZINC000414745153 514269827 /nfs/dbraw/zinc/26/98/27/514269827.db2.gz PCKIQYSEXBABFV-SOLBZPMBSA-N 1 3 363.933 2.803 20 0 FFADHO CC1(c2cccc(Cl)c2)CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414770434 514284081 /nfs/dbraw/zinc/28/40/81/514284081.db2.gz XYACNDRCGZZCMR-INIZCTEOSA-N 1 3 363.933 2.891 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000417356840 514309199 /nfs/dbraw/zinc/30/91/99/514309199.db2.gz QGRPFRYKJZKFMV-UXHICEINSA-N 1 3 358.530 2.963 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000414888875 514342252 /nfs/dbraw/zinc/34/22/52/514342252.db2.gz RWVSEMRXOVXRQM-UHFFFAOYSA-N 1 3 362.518 3.000 20 0 FFADHO C[NH2+]CCCN(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000424037726 514353394 /nfs/dbraw/zinc/35/33/94/514353394.db2.gz WNDOQNCABWEOTM-QGZVFWFLSA-N 1 3 357.420 2.509 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000444967208 514378625 /nfs/dbraw/zinc/37/86/25/514378625.db2.gz MTSHAOAPUDZGQK-FXAWDEMLSA-N 1 3 370.541 2.823 20 0 FFADHO FC(F)(F)Oc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414970290 514380060 /nfs/dbraw/zinc/38/00/60/514380060.db2.gz HDQPLUSWPXTUAL-CYBMUJFWSA-N 1 3 371.325 2.511 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000420924516 514380008 /nfs/dbraw/zinc/38/00/08/514380008.db2.gz JZQHGDJCGFPCGA-RBUKOAKNSA-N 1 3 367.578 2.845 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000420924516 514380012 /nfs/dbraw/zinc/38/00/12/514380012.db2.gz JZQHGDJCGFPCGA-RBUKOAKNSA-N 1 3 367.578 2.845 20 0 FFADHO CCCCOc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414970326 514380731 /nfs/dbraw/zinc/38/07/31/514380731.db2.gz HGHWDDJGKVLQHP-KRWDZBQOSA-N 1 3 359.436 2.791 20 0 FFADHO FC(F)(F)[C@H](CNCc1cccc(-c2cccnc2)c1)N1CC[NH2+]CC1 ZINC000414987506 514387959 /nfs/dbraw/zinc/38/79/59/514387959.db2.gz OPCWVMJMYQNOTF-SFHVURJKSA-N 1 3 364.415 2.674 20 0 FFADHO O=C1[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1C1CC1 ZINC000433128291 514392857 /nfs/dbraw/zinc/39/28/57/514392857.db2.gz LEJLQZWAOUEHLH-FQEVSTJZSA-N 1 3 353.510 2.738 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000424142615 514396897 /nfs/dbraw/zinc/39/68/97/514396897.db2.gz INVYHYJCZOEFDQ-DMRZNYOFSA-N 1 3 355.404 2.552 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415003437 514397708 /nfs/dbraw/zinc/39/77/08/514397708.db2.gz NAGBRCZXVUNMIJ-DOTOQJQBSA-N 1 3 356.470 2.656 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCc3ccccc3C(=O)OC)CC2)CC1 ZINC000420974731 514414177 /nfs/dbraw/zinc/41/41/77/514414177.db2.gz DXKZPCCRSZIMHY-UHFFFAOYSA-N 1 3 373.541 2.508 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCc3ccccc3C(=O)OC)CC2)CC1 ZINC000420974731 514414187 /nfs/dbraw/zinc/41/41/87/514414187.db2.gz DXKZPCCRSZIMHY-UHFFFAOYSA-N 1 3 373.541 2.508 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)N(C)Cc1ccccc1 ZINC000417575912 514415508 /nfs/dbraw/zinc/41/55/08/514415508.db2.gz GOTUCUKLPFMODN-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO COc1cc(CN(C)[C@@H]2CCCOC2)cc(C[N@H+](C)[C@@H]2CCCOC2)c1 ZINC000433201535 514420584 /nfs/dbraw/zinc/42/05/84/514420584.db2.gz WWPNUVHFWHFYBU-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN(C)[C@@H]2CCCOC2)cc(C[N@@H+](C)[C@@H]2CCCOC2)c1 ZINC000433201535 514420593 /nfs/dbraw/zinc/42/05/93/514420593.db2.gz WWPNUVHFWHFYBU-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC000428222072 514425934 /nfs/dbraw/zinc/42/59/34/514425934.db2.gz VMGMEABEWNQLRE-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)N1CCOCC1 ZINC000428222069 514426135 /nfs/dbraw/zinc/42/61/35/514426135.db2.gz VMGMEABEWNQLRE-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO CC(C)c1ccc(OCCNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424289676 514447140 /nfs/dbraw/zinc/44/71/40/514447140.db2.gz MGMKHPAZJVACJF-GOSISDBHSA-N 1 3 373.541 2.769 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287515 514447775 /nfs/dbraw/zinc/44/77/75/514447775.db2.gz IXIRKHOXFUIVEN-HUUCEWRRSA-N 1 3 365.468 2.948 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)C(C)C)cc1 ZINC000424291392 514448973 /nfs/dbraw/zinc/44/89/73/514448973.db2.gz NTQRNYGRSJNFKA-DYESRHJHSA-N 1 3 373.541 2.973 20 0 FFADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cccc(OCC(F)(F)F)c3)C2)nn1 ZINC000415125003 514454318 /nfs/dbraw/zinc/45/43/18/514454318.db2.gz KVLCQUHKGQZRQG-OAHLLOKOSA-N 1 3 369.391 2.515 20 0 FFADHO C[N@H+](CCCNC(=O)NC[C@@H]1CCCCN1C1CC1)Cc1ccccc1 ZINC000433563725 514514122 /nfs/dbraw/zinc/51/41/22/514514122.db2.gz MCJFXPGMMOBATP-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCNC(=O)NC[C@@H]1CCCCN1C1CC1)Cc1ccccc1 ZINC000433563725 514514133 /nfs/dbraw/zinc/51/41/33/514514133.db2.gz MCJFXPGMMOBATP-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000455427795 514515088 /nfs/dbraw/zinc/51/50/88/514515088.db2.gz HGLCFBKJOZGRDS-GHTZIAJQSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000455427795 514515098 /nfs/dbraw/zinc/51/50/98/514515098.db2.gz HGLCFBKJOZGRDS-GHTZIAJQSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466035699 514544901 /nfs/dbraw/zinc/54/49/01/514544901.db2.gz NSQYKWSBQQPCRX-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466035699 514544908 /nfs/dbraw/zinc/54/49/08/514544908.db2.gz NSQYKWSBQQPCRX-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)[NH+]1CCC(C)CC1 ZINC000458049082 514545277 /nfs/dbraw/zinc/54/52/77/514545277.db2.gz PPHINNUXDAMIRI-KRWDZBQOSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466140501 514566235 /nfs/dbraw/zinc/56/62/35/514566235.db2.gz MGQFPRXZWZWNJT-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466140501 514566240 /nfs/dbraw/zinc/56/62/40/514566240.db2.gz MGQFPRXZWZWNJT-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)N(C)C)cc1 ZINC000466144907 514566286 /nfs/dbraw/zinc/56/62/86/514566286.db2.gz OPUDAUIYYIJLPM-BEVDRBHNSA-N 1 3 358.530 2.634 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)N(C)C)cc1 ZINC000466144907 514566290 /nfs/dbraw/zinc/56/62/90/514566290.db2.gz OPUDAUIYYIJLPM-BEVDRBHNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CN1Cc1ccccc1 ZINC000466197985 514573324 /nfs/dbraw/zinc/57/33/24/514573324.db2.gz FIBKIGWUHIDZJD-GTAWCEEGSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CN1Cc1ccccc1 ZINC000466197985 514573330 /nfs/dbraw/zinc/57/33/30/514573330.db2.gz FIBKIGWUHIDZJD-GTAWCEEGSA-N 1 3 356.514 2.575 20 0 FFADHO OCCCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453264216 514582896 /nfs/dbraw/zinc/58/28/96/514582896.db2.gz MHHRXOLSCYNLAO-KJJMTIBFSA-N 1 3 357.542 2.618 20 0 FFADHO CN1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000497716697 514607802 /nfs/dbraw/zinc/60/78/02/514607802.db2.gz GTPZTRFBFRWKFO-UHFFFAOYSA-N 1 3 358.530 2.910 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000466364666 514623060 /nfs/dbraw/zinc/62/30/60/514623060.db2.gz NWRYRODHWZFYST-XYEHWOGUSA-N 1 3 358.526 2.938 20 0 FFADHO CC(C)C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C(=O)NCCN(C)C ZINC000502365333 514626610 /nfs/dbraw/zinc/62/66/10/514626610.db2.gz KFSKUSAGXLEZII-IHPCNDPISA-N 1 3 360.546 2.790 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488959607 514651524 /nfs/dbraw/zinc/65/15/24/514651524.db2.gz DAAIXTBNESKLKP-IWFBPKFRSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H](CNC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)N(C)Cc1ccccc1 ZINC000488959607 514651530 /nfs/dbraw/zinc/65/15/30/514651530.db2.gz DAAIXTBNESKLKP-IWFBPKFRSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCCN1Cc1ccccc1 ZINC000488968626 514655471 /nfs/dbraw/zinc/65/54/71/514655471.db2.gz ILIKEJUBZFWFPQ-TUNNFDKTSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCN1Cc1ccccc1 ZINC000488968626 514655480 /nfs/dbraw/zinc/65/54/80/514655480.db2.gz ILIKEJUBZFWFPQ-TUNNFDKTSA-N 1 3 370.541 2.967 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470881832 514656703 /nfs/dbraw/zinc/65/67/03/514656703.db2.gz BSRQUGWOLQUHMW-ICSRJNTNSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470881832 514656710 /nfs/dbraw/zinc/65/67/10/514656710.db2.gz BSRQUGWOLQUHMW-ICSRJNTNSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(OCCN(C)C)cc1 ZINC000484467584 514660843 /nfs/dbraw/zinc/66/08/43/514660843.db2.gz ARLYQEIVKHMYJX-VQIMIIECSA-N 1 3 351.560 2.715 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000484466712 514660945 /nfs/dbraw/zinc/66/09/45/514660945.db2.gz MUIJPORNNXIBKP-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000484466712 514660955 /nfs/dbraw/zinc/66/09/55/514660955.db2.gz MUIJPORNNXIBKP-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000475442000 514663088 /nfs/dbraw/zinc/66/30/88/514663088.db2.gz ZURLTAJWCLDRDE-FQEVSTJZSA-N 1 3 372.557 2.567 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000461656589 514686495 /nfs/dbraw/zinc/68/64/95/514686495.db2.gz BLTOJEBJZSTTII-MBOZVWFJSA-N 1 3 374.529 2.566 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000461656589 514686505 /nfs/dbraw/zinc/68/65/05/514686505.db2.gz BLTOJEBJZSTTII-MBOZVWFJSA-N 1 3 374.529 2.566 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000458299112 514695711 /nfs/dbraw/zinc/69/57/11/514695711.db2.gz ZTXZVWHDAVWCTH-UHFFFAOYSA-N 1 3 352.548 2.553 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458359529 514731217 /nfs/dbraw/zinc/73/12/17/514731217.db2.gz ONHBMGIMHQFCRM-ICSRJNTNSA-N 1 3 350.551 2.768 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458359529 514731232 /nfs/dbraw/zinc/73/12/32/514731232.db2.gz ONHBMGIMHQFCRM-ICSRJNTNSA-N 1 3 350.551 2.768 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000502725513 514752957 /nfs/dbraw/zinc/75/29/57/514752957.db2.gz XJNVVTVEHJYJNZ-GOSISDBHSA-N 1 3 363.546 2.560 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000498195524 514798554 /nfs/dbraw/zinc/79/85/54/514798554.db2.gz LBDUUWJZYQUSRG-CPUCHLNUSA-N 1 3 353.457 2.763 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000489339570 514805440 /nfs/dbraw/zinc/80/54/40/514805440.db2.gz VMSIWMJNNLZYAS-KRWDZBQOSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000458476629 514826630 /nfs/dbraw/zinc/82/66/30/514826630.db2.gz YYVMNRSLLXCNDI-AYHJJNSGSA-N 1 3 364.559 2.837 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000458476629 514826638 /nfs/dbraw/zinc/82/66/38/514826638.db2.gz YYVMNRSLLXCNDI-AYHJJNSGSA-N 1 3 364.559 2.837 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)c1ccsc1 ZINC000502917362 514842535 /nfs/dbraw/zinc/84/25/35/514842535.db2.gz JASUFPWIHYRAPA-DOTOQJQBSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccsc1 ZINC000502917362 514842541 /nfs/dbraw/zinc/84/25/41/514842541.db2.gz JASUFPWIHYRAPA-DOTOQJQBSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCN1CCc2ccccc2C1 ZINC000471379310 514857513 /nfs/dbraw/zinc/85/75/13/514857513.db2.gz GRDVRLMYXBICMB-QRVBRYPASA-N 1 3 357.542 2.917 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489525179 514881274 /nfs/dbraw/zinc/88/12/74/514881274.db2.gz CBUFYZDUFBOYAS-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489525179 514881283 /nfs/dbraw/zinc/88/12/83/514881283.db2.gz CBUFYZDUFBOYAS-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC[C@@H]1CCCO1 ZINC000467142008 514916694 /nfs/dbraw/zinc/91/66/94/514916694.db2.gz MGJIMLFLFACASV-RXVVDRJESA-N 1 3 373.541 2.657 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000476141117 514928099 /nfs/dbraw/zinc/92/80/99/514928099.db2.gz JBCHYYOGFGQWEC-MRXNPFEDSA-N 1 3 374.529 2.617 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000508867885 514928180 /nfs/dbraw/zinc/92/81/80/514928180.db2.gz UFRKMLOWWQMLMZ-HNJRGHQBSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NC(C)(C)CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000458592500 514932470 /nfs/dbraw/zinc/93/24/70/514932470.db2.gz MMYCEKXSGQKTAC-PKOBYXMFSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NC(C)(C)CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000458592500 514932479 /nfs/dbraw/zinc/93/24/79/514932479.db2.gz MMYCEKXSGQKTAC-PKOBYXMFSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000508901964 514948119 /nfs/dbraw/zinc/94/81/19/514948119.db2.gz VLZWVIHNLQEVJJ-HLNWXESRSA-N 1 3 358.530 2.864 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000508901964 514948131 /nfs/dbraw/zinc/94/81/31/514948131.db2.gz VLZWVIHNLQEVJJ-HLNWXESRSA-N 1 3 358.530 2.864 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000485295677 514988681 /nfs/dbraw/zinc/98/86/81/514988681.db2.gz VEHGDNQAHIEEEU-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000485295677 514988692 /nfs/dbraw/zinc/98/86/92/514988692.db2.gz VEHGDNQAHIEEEU-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000489863843 515005146 /nfs/dbraw/zinc/00/51/46/515005146.db2.gz SWCISEUNMUAFEL-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498646238 515008529 /nfs/dbraw/zinc/00/85/29/515008529.db2.gz YKMJFNFPJVMSEN-MAUKXSAKSA-N 1 3 371.447 2.897 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccc(F)cc1 ZINC000503376427 515013683 /nfs/dbraw/zinc/01/36/83/515013683.db2.gz SLZDOASUWDNLPK-MSOLQXFVSA-N 1 3 364.509 2.848 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccc(F)cc1 ZINC000503376427 515013688 /nfs/dbraw/zinc/01/36/88/515013688.db2.gz SLZDOASUWDNLPK-MSOLQXFVSA-N 1 3 364.509 2.848 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000471868043 515037253 /nfs/dbraw/zinc/03/72/53/515037253.db2.gz CTEJPIUCGVAETM-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)CC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000503493344 515052988 /nfs/dbraw/zinc/05/29/88/515052988.db2.gz KMNIOFFISJLZGK-FQEVSTJZSA-N 1 3 374.529 2.569 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485618583 515115129 /nfs/dbraw/zinc/11/51/29/515115129.db2.gz GOJGCXRDXPYENL-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485618583 515115138 /nfs/dbraw/zinc/11/51/38/515115138.db2.gz GOJGCXRDXPYENL-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N(C)C)cc1 ZINC000458888835 515174727 /nfs/dbraw/zinc/17/47/27/515174727.db2.gz JAOFYGQGCKIKGV-SFHVURJKSA-N 1 3 366.575 2.993 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000481107916 515210581 /nfs/dbraw/zinc/21/05/81/515210581.db2.gz NAJLGICHTKPDJV-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCN(C)[C@H](C(C)C)C1)c1ccco1 ZINC000509568744 515237038 /nfs/dbraw/zinc/23/70/38/515237038.db2.gz BBPDMMBEZZVVDO-ULQDDVLXSA-N 1 3 350.507 2.690 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccco1 ZINC000509592921 515249102 /nfs/dbraw/zinc/24/91/02/515249102.db2.gz BRGGNHDJGOGJQH-BZSNNMDCSA-N 1 3 362.518 2.979 20 0 FFADHO COC[C@@H](O)CN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462801356 515252652 /nfs/dbraw/zinc/25/26/52/515252652.db2.gz GNMXDIUKCSAMTO-VQTJNVASSA-N 1 3 352.494 2.976 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccco1 ZINC000509615811 515259857 /nfs/dbraw/zinc/25/98/57/515259857.db2.gz VHNVQSJVEGJHDY-YESZJQIVSA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccco1 ZINC000509615811 515259864 /nfs/dbraw/zinc/25/98/64/515259864.db2.gz VHNVQSJVEGJHDY-YESZJQIVSA-N 1 3 350.507 2.692 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000504295650 515264092 /nfs/dbraw/zinc/26/40/92/515264092.db2.gz LZSYMELTDVWVCY-WOJBJXKFSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000504295650 515264099 /nfs/dbraw/zinc/26/40/99/515264099.db2.gz LZSYMELTDVWVCY-WOJBJXKFSA-N 1 3 370.541 2.749 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000481262013 515268442 /nfs/dbraw/zinc/26/84/42/515268442.db2.gz WCSBYIYHEORYMH-VBSBHUPXSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000481262013 515268449 /nfs/dbraw/zinc/26/84/49/515268449.db2.gz WCSBYIYHEORYMH-VBSBHUPXSA-N 1 3 356.514 2.575 20 0 FFADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000462891012 515285657 /nfs/dbraw/zinc/28/56/57/515285657.db2.gz POJCMCHSRDERNL-YZGWKJHDSA-N 1 3 359.489 2.542 20 0 FFADHO CN(C(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459131819 515342898 /nfs/dbraw/zinc/34/28/98/515342898.db2.gz BDWBIRZECDFPEB-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459131819 515342908 /nfs/dbraw/zinc/34/29/08/515342908.db2.gz BDWBIRZECDFPEB-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(Cl)cc1 ZINC000499509023 515351676 /nfs/dbraw/zinc/35/16/76/515351676.db2.gz PKDMLLSEFXKCCT-QGZVFWFLSA-N 1 3 367.921 2.593 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(Cl)cc1 ZINC000499509023 515351683 /nfs/dbraw/zinc/35/16/83/515351683.db2.gz PKDMLLSEFXKCCT-QGZVFWFLSA-N 1 3 367.921 2.593 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000504738933 515365835 /nfs/dbraw/zinc/36/58/35/515365835.db2.gz ZWFJZNTZPMPKFT-UHFFFAOYSA-N 1 3 360.546 2.854 20 0 FFADHO CN1CCC(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000486341454 515444987 /nfs/dbraw/zinc/44/49/87/515444987.db2.gz ASCMZOCYNVQWKL-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000510327737 515505830 /nfs/dbraw/zinc/50/58/30/515505830.db2.gz RYNXYUMEHVOZNK-IBGZPJMESA-N 1 3 356.514 2.531 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000459462119 515571018 /nfs/dbraw/zinc/57/10/18/515571018.db2.gz JYTMVYFYEWMVIZ-UHFFFAOYSA-N 1 3 359.901 2.964 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000473333288 515581519 /nfs/dbraw/zinc/58/15/19/515581519.db2.gz YUUOOSJYGRDEDC-SCTDSRPQSA-N 1 3 353.551 2.501 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccc1Cl ZINC000477832568 515608142 /nfs/dbraw/zinc/60/81/42/515608142.db2.gz YXZDFEZMXSNHLC-KRWDZBQOSA-N 1 3 366.937 2.898 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccc1Cl ZINC000477832568 515608144 /nfs/dbraw/zinc/60/81/44/515608144.db2.gz YXZDFEZMXSNHLC-KRWDZBQOSA-N 1 3 366.937 2.898 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505692332 515635030 /nfs/dbraw/zinc/63/50/30/515635030.db2.gz SQGYWOONUDEFEW-IXDOHACOSA-N 1 3 362.543 2.811 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505692332 515635037 /nfs/dbraw/zinc/63/50/37/515635037.db2.gz SQGYWOONUDEFEW-IXDOHACOSA-N 1 3 362.543 2.811 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000477909169 515637813 /nfs/dbraw/zinc/63/78/13/515637813.db2.gz MDSJCAPPTIKHSS-IBGZPJMESA-N 1 3 364.509 2.848 20 0 FFADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000493767222 515662074 /nfs/dbraw/zinc/66/20/74/515662074.db2.gz MJFMVLDTZVFXPI-DENIHFKCSA-N 1 3 368.525 2.960 20 0 FFADHO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC000500422989 515703619 /nfs/dbraw/zinc/70/36/19/515703619.db2.gz JZQQLJSPEYENTL-HLIPFELVSA-N 1 3 359.514 2.821 20 0 FFADHO C[C@H](C(=O)NCC1(N2CCSCC2)CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000510894149 515706228 /nfs/dbraw/zinc/70/62/28/515706228.db2.gz NSSHXMWHSQZPCY-IXDOHACOSA-N 1 3 353.576 2.726 20 0 FFADHO C[C@H](C(=O)NCC1(N2CCSCC2)CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000510894149 515706236 /nfs/dbraw/zinc/70/62/36/515706236.db2.gz NSSHXMWHSQZPCY-IXDOHACOSA-N 1 3 353.576 2.726 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OC(F)F)cc1 ZINC000482562461 515720740 /nfs/dbraw/zinc/72/07/40/515720740.db2.gz FWYKPXLVVDKRLB-DZGCQCFKSA-N 1 3 355.429 2.526 20 0 FFADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459675857 515738403 /nfs/dbraw/zinc/73/84/03/515738403.db2.gz NHGBOTMEOPAZDI-RTWAWAEBSA-N 1 3 355.526 2.998 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000482640964 515747912 /nfs/dbraw/zinc/74/79/12/515747912.db2.gz KGKWQESDVAVDFH-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)c1ccsc1 ZINC000473890552 515792578 /nfs/dbraw/zinc/79/25/78/515792578.db2.gz HESCBQABYDZJIG-QGZVFWFLSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)c1ccsc1 ZINC000473890552 515792585 /nfs/dbraw/zinc/79/25/85/515792585.db2.gz HESCBQABYDZJIG-QGZVFWFLSA-N 1 3 352.548 2.867 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511406877 515893232 /nfs/dbraw/zinc/89/32/32/515893232.db2.gz YXFORVPXHKCVCO-LJQANCHMSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511406877 515893240 /nfs/dbraw/zinc/89/32/40/515893240.db2.gz YXFORVPXHKCVCO-LJQANCHMSA-N 1 3 360.546 2.927 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000487543716 515900437 /nfs/dbraw/zinc/90/04/37/515900437.db2.gz UMXGPTLZDXFAID-TZIWHRDSSA-N 1 3 358.530 2.807 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000487543716 515900447 /nfs/dbraw/zinc/90/04/47/515900447.db2.gz UMXGPTLZDXFAID-TZIWHRDSSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@H](NC1(CNC(=O)CC[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000494656521 515911816 /nfs/dbraw/zinc/91/18/16/515911816.db2.gz VPJRQWMBDZMPGP-PKOBYXMFSA-N 1 3 359.514 2.535 20 0 FFADHO C[C@@H](NC1(CNC(=O)CC[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000494656518 515912462 /nfs/dbraw/zinc/91/24/62/515912462.db2.gz VPJRQWMBDZMPGP-IEBWSBKVSA-N 1 3 359.514 2.535 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)C2)C1 ZINC000457518389 515936719 /nfs/dbraw/zinc/93/67/19/515936719.db2.gz SRTGQRROCIQLFI-OAQYLSRUSA-N 1 3 358.530 2.636 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)C2)C1 ZINC000457518389 515936728 /nfs/dbraw/zinc/93/67/28/515936728.db2.gz SRTGQRROCIQLFI-OAQYLSRUSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCN(C2CC2)C1 ZINC000457522693 515940098 /nfs/dbraw/zinc/94/00/98/515940098.db2.gz WVOLQOAAMXIZEB-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCN(C2CC2)C1 ZINC000457522693 515940109 /nfs/dbraw/zinc/94/01/09/515940109.db2.gz WVOLQOAAMXIZEB-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC000511618505 515965685 /nfs/dbraw/zinc/96/56/85/515965685.db2.gz YLVYYNLZWRRWDW-HXUWFJFHSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474308621 515985349 /nfs/dbraw/zinc/98/53/49/515985349.db2.gz UVZNMIXKBIJEJG-VGSWGCGISA-N 1 3 363.505 2.940 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2OCC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000469861049 516001690 /nfs/dbraw/zinc/00/16/90/516001690.db2.gz HTMDUZTZNKUEMO-ICSRJNTNSA-N 1 3 371.525 2.556 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000501332097 516066232 /nfs/dbraw/zinc/06/62/32/516066232.db2.gz MJOLVROWRWBZDW-RXVVDRJESA-N 1 3 372.557 2.997 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000469999587 516071131 /nfs/dbraw/zinc/07/11/31/516071131.db2.gz MMOWPTNCADKXBA-HNNXBMFYSA-N 1 3 361.486 2.841 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000474533116 516084837 /nfs/dbraw/zinc/08/48/37/516084837.db2.gz HIRKHDSOTMXNLP-TUNPWDSISA-N 1 3 356.514 2.748 20 0 FFADHO CCN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000479201894 516107506 /nfs/dbraw/zinc/10/75/06/516107506.db2.gz NHNNEMPTJUFJSB-WBVHZDCISA-N 1 3 372.538 2.942 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000501512162 516134065 /nfs/dbraw/zinc/13/40/65/516134065.db2.gz IHMMDACJBBVCPX-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000479303062 516144214 /nfs/dbraw/zinc/14/42/14/516144214.db2.gz AKDAWTZZOBIEFF-BZSNNMDCSA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483675748 516164649 /nfs/dbraw/zinc/16/46/49/516164649.db2.gz AGLIDZVRJRRHRT-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483675748 516164659 /nfs/dbraw/zinc/16/46/59/516164659.db2.gz AGLIDZVRJRRHRT-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000483684577 516169131 /nfs/dbraw/zinc/16/91/31/516169131.db2.gz QDFGWCCEDKQKGQ-NHCUHLMSSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000483684577 516169140 /nfs/dbraw/zinc/16/91/40/516169140.db2.gz QDFGWCCEDKQKGQ-NHCUHLMSSA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000479398439 516179712 /nfs/dbraw/zinc/17/97/12/516179712.db2.gz XOLYPXGREMYHPI-DLBZAZTESA-N 1 3 350.507 2.740 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1C ZINC000483707618 516182950 /nfs/dbraw/zinc/18/29/50/516182950.db2.gz FHUXDABOMXXFDL-WIYYLYMNSA-N 1 3 372.557 2.949 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1C ZINC000483707618 516182954 /nfs/dbraw/zinc/18/29/54/516182954.db2.gz FHUXDABOMXXFDL-WIYYLYMNSA-N 1 3 372.557 2.949 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000507430788 516209291 /nfs/dbraw/zinc/20/92/91/516209291.db2.gz SLMDODWBGSBSTE-TYPHKJRUSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000507430788 516209302 /nfs/dbraw/zinc/20/93/02/516209302.db2.gz SLMDODWBGSBSTE-TYPHKJRUSA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483813958 516217888 /nfs/dbraw/zinc/21/78/88/516217888.db2.gz HGNKLYRFNMEOGY-UHFFFAOYSA-N 1 3 370.607 2.769 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)C[NH+]1CCCCC1 ZINC000488412821 516218326 /nfs/dbraw/zinc/21/83/26/516218326.db2.gz DLMMFNHVKQMITP-ROUUACIJSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000465676947 516226940 /nfs/dbraw/zinc/22/69/40/516226940.db2.gz VSVDSYYKNAYTAD-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000465676947 516226946 /nfs/dbraw/zinc/22/69/46/516226946.db2.gz VSVDSYYKNAYTAD-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000474939278 516242911 /nfs/dbraw/zinc/24/29/11/516242911.db2.gz AIRXSDVGRRDDED-SNCIUUNGSA-N 1 3 374.525 2.855 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000474939277 516243554 /nfs/dbraw/zinc/24/35/54/516243554.db2.gz AIRXSDVGRRDDED-FUHYEJFZSA-N 1 3 374.525 2.855 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000465767202 516253679 /nfs/dbraw/zinc/25/36/79/516253679.db2.gz YXJZKJORHDCDLG-NBYUQASBSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000465767202 516253685 /nfs/dbraw/zinc/25/36/85/516253685.db2.gz YXJZKJORHDCDLG-NBYUQASBSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC000465805517 516261442 /nfs/dbraw/zinc/26/14/42/516261442.db2.gz CIECAHMXRKIUJS-GOSISDBHSA-N 1 3 372.557 2.505 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCC(C)CC1)CC2 ZINC000465823845 516268129 /nfs/dbraw/zinc/26/81/29/516268129.db2.gz YLDWDZXPXJNUIF-QRVBRYPASA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCC(C)CC1)CC2 ZINC000465823845 516268134 /nfs/dbraw/zinc/26/81/34/516268134.db2.gz YLDWDZXPXJNUIF-QRVBRYPASA-N 1 3 350.551 2.764 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccc(F)cc1 ZINC000501950376 516271735 /nfs/dbraw/zinc/27/17/35/516271735.db2.gz UNEIVNURWBWYDI-SFHVURJKSA-N 1 3 364.509 2.850 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000497364569 516315582 /nfs/dbraw/zinc/31/55/82/516315582.db2.gz ISJJNWYNBSJCCC-HZEGPAAWSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000497364569 516315585 /nfs/dbraw/zinc/31/55/85/516315585.db2.gz ISJJNWYNBSJCCC-HZEGPAAWSA-N 1 3 370.541 2.948 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000535395348 516338358 /nfs/dbraw/zinc/33/83/58/516338358.db2.gz QMEZHCQJQRQACR-AABGKKOBSA-N 1 3 356.514 2.702 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000528315231 516343137 /nfs/dbraw/zinc/34/31/37/516343137.db2.gz MSKRNPCUACUHFW-UHFFFAOYSA-N 1 3 367.896 2.696 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561041483 516347030 /nfs/dbraw/zinc/34/70/30/516347030.db2.gz BFLLBLVLMKFHSI-YADHBBJMSA-N 1 3 363.505 2.899 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561041483 516347041 /nfs/dbraw/zinc/34/70/41/516347041.db2.gz BFLLBLVLMKFHSI-YADHBBJMSA-N 1 3 363.505 2.899 20 0 FFADHO FC(F)OC[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512806154 516366091 /nfs/dbraw/zinc/36/60/91/516366091.db2.gz RICZQLDQQZOMOF-GEYXIOIISA-N 1 3 354.388 2.665 20 0 FFADHO FC(F)OC[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512806154 516366097 /nfs/dbraw/zinc/36/60/97/516366097.db2.gz RICZQLDQQZOMOF-GEYXIOIISA-N 1 3 354.388 2.665 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000531245813 516370532 /nfs/dbraw/zinc/37/05/32/516370532.db2.gz QHRAMZOJRODSSW-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000531245813 516370542 /nfs/dbraw/zinc/37/05/42/516370542.db2.gz QHRAMZOJRODSSW-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@@H](n2cncn2)C1 ZINC000550665907 516375531 /nfs/dbraw/zinc/37/55/31/516375531.db2.gz QYKOHNKKVZCZPM-AQNXPRMDSA-N 1 3 374.577 2.548 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@@H](n2cncn2)C1 ZINC000550665906 516376499 /nfs/dbraw/zinc/37/64/99/516376499.db2.gz QYKOHNKKVZCZPM-AABGKKOBSA-N 1 3 374.577 2.548 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(Br)cn1 ZINC000517626349 516387610 /nfs/dbraw/zinc/38/76/10/516387610.db2.gz CVFOCBUPKPCMHH-QGZVFWFLSA-N 1 3 369.351 2.692 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(Br)cn1 ZINC000517626349 516387617 /nfs/dbraw/zinc/38/76/17/516387617.db2.gz CVFOCBUPKPCMHH-QGZVFWFLSA-N 1 3 369.351 2.692 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C1CC1 ZINC000523209206 516410198 /nfs/dbraw/zinc/41/01/98/516410198.db2.gz ARQUOYPENVPHAS-FQEVSTJZSA-N 1 3 358.530 2.915 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C1CC1 ZINC000523209206 516410209 /nfs/dbraw/zinc/41/02/09/516410209.db2.gz ARQUOYPENVPHAS-FQEVSTJZSA-N 1 3 358.530 2.915 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000554389642 516418383 /nfs/dbraw/zinc/41/83/83/516418383.db2.gz SNEHHNAHJCFDMS-CRAIPNDOSA-N 1 3 360.502 2.847 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000540059940 516424178 /nfs/dbraw/zinc/42/41/78/516424178.db2.gz YSSXFRSZCJZXPA-MSOLQXFVSA-N 1 3 373.545 2.860 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000540059940 516424187 /nfs/dbraw/zinc/42/41/87/516424187.db2.gz YSSXFRSZCJZXPA-MSOLQXFVSA-N 1 3 373.545 2.860 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000531357652 516426225 /nfs/dbraw/zinc/42/62/25/516426225.db2.gz PDRFOBFXLYTQKR-RTWAWAEBSA-N 1 3 353.510 2.895 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000554481179 516457050 /nfs/dbraw/zinc/45/70/50/516457050.db2.gz LXCHCRGHKDITCT-FXAWDEMLSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCN1C ZINC000557923624 516507646 /nfs/dbraw/zinc/50/76/46/516507646.db2.gz SJUAKCXLKMOVGO-KAGYGMCKSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCN1C ZINC000557923624 516507654 /nfs/dbraw/zinc/50/76/54/516507654.db2.gz SJUAKCXLKMOVGO-KAGYGMCKSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000536013759 516592745 /nfs/dbraw/zinc/59/27/45/516592745.db2.gz MQHDMWOKVCAZTC-ICSRJNTNSA-N 1 3 360.546 2.581 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000523901962 516604659 /nfs/dbraw/zinc/60/46/59/516604659.db2.gz AQAXEXUHDQXZBJ-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000523901962 516604668 /nfs/dbraw/zinc/60/46/68/516604668.db2.gz AQAXEXUHDQXZBJ-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCOCC1 ZINC000531720397 516610323 /nfs/dbraw/zinc/61/03/23/516610323.db2.gz FRMDRNVBOYVLLO-LEWJYISDSA-N 1 3 373.541 2.679 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCN(C3CCCC3)CC2)([NH+](C)C)C1 ZINC000518364952 516629377 /nfs/dbraw/zinc/62/93/77/516629377.db2.gz YKHHVMCMXULGRE-YLJYHZDGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000536170617 516662625 /nfs/dbraw/zinc/66/26/25/516662625.db2.gz XDOODBDAOLUUGI-HNBVOPMISA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000536170617 516662636 /nfs/dbraw/zinc/66/26/36/516662636.db2.gz XDOODBDAOLUUGI-HNBVOPMISA-N 1 3 358.530 2.994 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccc(F)cc3)C2(C)C)CC1 ZINC000528740641 516663156 /nfs/dbraw/zinc/66/31/56/516663156.db2.gz CGMCTPDNZGLTQJ-LJQANCHMSA-N 1 3 361.505 2.994 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000554881838 516678242 /nfs/dbraw/zinc/67/82/42/516678242.db2.gz FKQVHMMWWVBNSN-CVEARBPZSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c(OC)c1 ZINC000554881838 516678252 /nfs/dbraw/zinc/67/82/52/516678252.db2.gz FKQVHMMWWVBNSN-CVEARBPZSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c(OC)c1 ZINC000554881838 516678257 /nfs/dbraw/zinc/67/82/57/516678257.db2.gz FKQVHMMWWVBNSN-CVEARBPZSA-N 1 3 363.502 2.741 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c(OC)c1 ZINC000524370786 516703657 /nfs/dbraw/zinc/70/36/57/516703657.db2.gz AWMRQEWLEGHJLQ-ZMBJWTFHSA-N 1 3 362.514 2.742 20 0 FFADHO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000544491291 516782821 /nfs/dbraw/zinc/78/28/21/516782821.db2.gz ZXBNLWMSSXFMSL-UXHICEINSA-N 1 3 351.579 2.931 20 0 FFADHO CN(C)Cc1ccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000524739111 516810411 /nfs/dbraw/zinc/81/04/11/516810411.db2.gz XVDCBRADOGRLEW-UHFFFAOYSA-N 1 3 351.494 2.577 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000540990808 516818134 /nfs/dbraw/zinc/81/81/34/516818134.db2.gz UMSLLFPJKWDYPN-LXPRWKDFSA-N 1 3 372.431 2.579 20 0 FFADHO CSc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1F ZINC000561955566 516846762 /nfs/dbraw/zinc/84/67/62/516846762.db2.gz ZHIMJDYBYDUPMK-UKRRQHHQSA-N 1 3 353.507 2.786 20 0 FFADHO CN(C)CCOc1cccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c1 ZINC000532211185 516858804 /nfs/dbraw/zinc/85/88/04/516858804.db2.gz NHRVLIKTIYZZKD-UHFFFAOYSA-N 1 3 360.420 2.953 20 0 FFADHO CCCn1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000536667107 516882382 /nfs/dbraw/zinc/88/23/82/516882382.db2.gz ZUBRTDKOQFOSTL-UHFFFAOYSA-N 1 3 361.578 2.921 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000541117340 516885281 /nfs/dbraw/zinc/88/52/81/516885281.db2.gz DLHDCXYFBNKHDU-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000532318000 516907708 /nfs/dbraw/zinc/90/77/08/516907708.db2.gz IQTJLUSIEMQVKF-UHFFFAOYSA-N 1 3 360.546 2.534 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514232580 516916251 /nfs/dbraw/zinc/91/62/51/516916251.db2.gz NIDCGLSHCDQXHJ-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514232580 516916257 /nfs/dbraw/zinc/91/62/57/516916257.db2.gz NIDCGLSHCDQXHJ-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C)CC[NH+](C)C ZINC000541220965 516936330 /nfs/dbraw/zinc/93/63/30/516936330.db2.gz HDHSFRKWEMRNRF-LSDHHAIUSA-N 1 3 360.502 2.682 20 0 FFADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000529280513 517048035 /nfs/dbraw/zinc/04/80/35/517048035.db2.gz BBRKGOMNCYWYTF-HOTGVXAUSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000552048108 517050216 /nfs/dbraw/zinc/05/02/16/517050216.db2.gz HTEXJNQNRMKMJB-XOYOTBSWSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000552048108 517050228 /nfs/dbraw/zinc/05/02/28/517050228.db2.gz HTEXJNQNRMKMJB-XOYOTBSWSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000552048108 517050238 /nfs/dbraw/zinc/05/02/38/517050238.db2.gz HTEXJNQNRMKMJB-XOYOTBSWSA-N 1 3 372.431 2.908 20 0 FFADHO COc1cc2c(cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)O[C@@H](C)C2 ZINC000525483669 517055035 /nfs/dbraw/zinc/05/50/35/517055035.db2.gz DUQONAQHFHSGFA-ULQDDVLXSA-N 1 3 362.514 2.998 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C[C@@H]21 ZINC000519589719 517063671 /nfs/dbraw/zinc/06/36/71/517063671.db2.gz ADSYUSXWTLHHOR-WCIQWLHISA-N 1 3 356.514 2.592 20 0 FFADHO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CCN(Cc2ccccc2)CC1 ZINC000529358944 517100421 /nfs/dbraw/zinc/10/04/21/517100421.db2.gz JVNCATJIDMSBQM-LJQANCHMSA-N 1 3 356.514 2.577 20 0 FFADHO CCC[C@H]1SCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000519768137 517172476 /nfs/dbraw/zinc/17/24/76/517172476.db2.gz HIWUTOUVIMRBMY-GOSISDBHSA-N 1 3 353.576 2.884 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000519773077 517175829 /nfs/dbraw/zinc/17/58/29/517175829.db2.gz UJKDGHVZKRDIIJ-OPYAIIAOSA-N 1 3 355.526 2.986 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000519773077 517175834 /nfs/dbraw/zinc/17/58/34/517175834.db2.gz UJKDGHVZKRDIIJ-OPYAIIAOSA-N 1 3 355.526 2.986 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000545340348 517185321 /nfs/dbraw/zinc/18/53/21/517185321.db2.gz IVMUNOPVIUPJBG-UYAOXDASSA-N 1 3 360.546 2.848 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000545340348 517185332 /nfs/dbraw/zinc/18/53/32/517185332.db2.gz IVMUNOPVIUPJBG-UYAOXDASSA-N 1 3 360.546 2.848 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000515084492 517206461 /nfs/dbraw/zinc/20/64/61/517206461.db2.gz JAJHONHAICZTFT-OALUTQOASA-N 1 3 361.505 2.838 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000515084492 517206470 /nfs/dbraw/zinc/20/64/70/517206470.db2.gz JAJHONHAICZTFT-OALUTQOASA-N 1 3 361.505 2.838 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000537504917 517213020 /nfs/dbraw/zinc/21/30/20/517213020.db2.gz ASEKLXYKTFKZDM-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000552470829 517276232 /nfs/dbraw/zinc/27/62/32/517276232.db2.gz DFXVQVACMBKCIA-FQEVSTJZSA-N 1 3 355.482 2.790 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000520204491 517299779 /nfs/dbraw/zinc/29/97/79/517299779.db2.gz SMBLGTYEIXVZIW-MRXNPFEDSA-N 1 3 352.548 2.647 20 0 FFADHO Oc1ccc2c(c1)[C@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CCC2 ZINC000556231680 517330180 /nfs/dbraw/zinc/33/01/80/517330180.db2.gz BNTWYMNZVZUAOR-JOCHJYFZSA-N 1 3 366.509 2.967 20 0 FFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000520397964 517378811 /nfs/dbraw/zinc/37/88/11/517378811.db2.gz OPKPPIPRZCPUFS-OAQYLSRUSA-N 1 3 369.509 2.944 20 0 FFADHO Cc1ccc2nc(CNCC3([NH+]4CCCCC4)CCN(C)CC3)cn2c1 ZINC000556385275 517404259 /nfs/dbraw/zinc/40/42/59/517404259.db2.gz FIHYESPBOJXZGD-UHFFFAOYSA-N 1 3 355.530 2.683 20 0 FFADHO Cc1ccc2nc(CNCC3(N4CCCCC4)CC[NH+](C)CC3)cn2c1 ZINC000556385275 517404269 /nfs/dbraw/zinc/40/42/69/517404269.db2.gz FIHYESPBOJXZGD-UHFFFAOYSA-N 1 3 355.530 2.683 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNCCN1C(=O)c2ccccc2C1=O ZINC000552825803 517406986 /nfs/dbraw/zinc/40/69/86/517406986.db2.gz VIZJOWRVXZGPNL-UHFFFAOYSA-N 1 3 365.477 2.914 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000559774763 517420797 /nfs/dbraw/zinc/42/07/97/517420797.db2.gz VRNCGMUKHVCHQL-FQEVSTJZSA-N 1 3 352.478 2.737 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)C(F)(F)F ZINC000549191650 517449086 /nfs/dbraw/zinc/44/90/86/517449086.db2.gz UEZOEKOWVPIQIH-CQSZACIVSA-N 1 3 366.472 2.632 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)C(F)(F)F ZINC000549191650 517449094 /nfs/dbraw/zinc/44/90/94/517449094.db2.gz UEZOEKOWVPIQIH-CQSZACIVSA-N 1 3 366.472 2.632 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000542256138 517466956 /nfs/dbraw/zinc/46/69/56/517466956.db2.gz JITIQIUXPYSMPF-INIZCTEOSA-N 1 3 350.551 2.623 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000515841320 517491527 /nfs/dbraw/zinc/49/15/27/517491527.db2.gz QHPSZAKZJQGMQN-FXAWDEMLSA-N 1 3 360.546 2.883 20 0 FFADHO CC1(C(=O)NC[C@H]2CCN2C2CCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000530021633 517503156 /nfs/dbraw/zinc/50/31/56/517503156.db2.gz BVTLVENTERMAFI-LJQANCHMSA-N 1 3 356.514 2.821 20 0 FFADHO Cc1ccc(NC(=O)CC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC000559973624 517513451 /nfs/dbraw/zinc/51/34/51/517513451.db2.gz KIWANACHYATIOP-QZTJIDSGSA-N 1 3 374.529 2.540 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CN1Cc1ccccc1 ZINC000516025921 517541445 /nfs/dbraw/zinc/54/14/45/517541445.db2.gz VWEMCRDSTVRCNA-JPLJXNOCSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520953339 517560327 /nfs/dbraw/zinc/56/03/27/517560327.db2.gz ZKQWJPDGQUTXHJ-IEBWSBKVSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520953339 517560338 /nfs/dbraw/zinc/56/03/38/517560338.db2.gz ZKQWJPDGQUTXHJ-IEBWSBKVSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@]1(CNC(=O)N2CCN3CCC2CC3)CCC[N@@H+]1Cc1ccccc1 ZINC000560109090 517585399 /nfs/dbraw/zinc/58/53/99/517585399.db2.gz NPPDSGPZCDILAJ-OAQYLSRUSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@]1(CNC(=O)N2CCN3CCC2CC3)CCC[N@H+]1Cc1ccccc1 ZINC000560109090 517585409 /nfs/dbraw/zinc/58/54/09/517585409.db2.gz NPPDSGPZCDILAJ-OAQYLSRUSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc([C@H]3CCCO3)s2)C[C@@H](C)O1 ZINC000533740667 517593121 /nfs/dbraw/zinc/59/31/21/517593121.db2.gz PJIKSPCBWPFYIU-BFYDXBDKSA-N 1 3 353.532 2.974 20 0 FFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516244177 517632017 /nfs/dbraw/zinc/63/20/17/517632017.db2.gz AUYVRRAKWPBLFG-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO Fc1cc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000530238742 517645524 /nfs/dbraw/zinc/64/55/24/517645524.db2.gz BNXFNTNAKSBGGN-INIZCTEOSA-N 1 3 356.869 2.948 20 0 FFADHO COCCN1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000521320518 517691088 /nfs/dbraw/zinc/69/10/88/517691088.db2.gz YSTIFQKOCASYSR-NRFANRHFSA-N 1 3 359.558 2.989 20 0 FFADHO CC1=CCN(CCNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000546565081 517728199 /nfs/dbraw/zinc/72/81/99/517728199.db2.gz LUZDJUUBTPNYHD-HXUWFJFHSA-N 1 3 356.514 2.602 20 0 FFADHO CC1=CCN(CCNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000546565081 517728207 /nfs/dbraw/zinc/72/82/07/517728207.db2.gz LUZDJUUBTPNYHD-HXUWFJFHSA-N 1 3 356.514 2.602 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000534139654 517758523 /nfs/dbraw/zinc/75/85/23/517758523.db2.gz ZZLYCYFCJBTOFV-NHCUHLMSSA-N 1 3 373.541 2.679 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000534139654 517758535 /nfs/dbraw/zinc/75/85/35/517758535.db2.gz ZZLYCYFCJBTOFV-NHCUHLMSSA-N 1 3 373.541 2.679 20 0 FFADHO CN(CCCN(C)Cc1cnn(-c2ccc(Cl)cc2)c1)CC[NH+](C)C ZINC000516816269 517854579 /nfs/dbraw/zinc/85/45/79/517854579.db2.gz LHKRVMQXWCZTPU-UHFFFAOYSA-N 1 3 363.937 2.841 20 0 FFADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccc(I)cc2)C1 ZINC000563424184 517895408 /nfs/dbraw/zinc/89/54/08/517895408.db2.gz JPTJCOYCOJQHQN-STQMWFEESA-N 1 3 360.239 2.530 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000539058787 517896754 /nfs/dbraw/zinc/89/67/54/517896754.db2.gz GXLCUDDAHDMQKS-BHDDXSALSA-N 1 3 366.509 2.728 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CN1C1CC1 ZINC000557189553 517907766 /nfs/dbraw/zinc/90/77/66/517907766.db2.gz MHKKXLPKEUZFPA-DJKXOVBDSA-N 1 3 352.482 2.764 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000563481805 517927872 /nfs/dbraw/zinc/92/78/72/517927872.db2.gz IQFUWIIWXBEPJU-GOSISDBHSA-N 1 3 359.518 2.826 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000563481805 517927880 /nfs/dbraw/zinc/92/78/80/517927880.db2.gz IQFUWIIWXBEPJU-GOSISDBHSA-N 1 3 359.518 2.826 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000563559193 517983027 /nfs/dbraw/zinc/98/30/27/517983027.db2.gz JWUGXJOEHSZHEK-AGXSTUJCSA-N 1 3 370.541 2.988 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CCCO1 ZINC000527957698 518012325 /nfs/dbraw/zinc/01/23/25/518012325.db2.gz SAYWAPDTVKOTGV-LMYCIYFBSA-N 1 3 358.526 2.807 20 0 FFADHO C[NH+](C)CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000522191607 518025478 /nfs/dbraw/zinc/02/54/78/518025478.db2.gz UTDSURXRAPHABR-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO CN1CCC[C@@H](CNC(=O)C2(C)C[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000517367434 518130886 /nfs/dbraw/zinc/13/08/86/518130886.db2.gz YIEZNMYKUJWXIC-HOCLYGCPSA-N 1 3 369.431 2.814 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000522602131 518132885 /nfs/dbraw/zinc/13/28/85/518132885.db2.gz VLSPGTMSLBLCOL-LPHOPBHVSA-N 1 3 356.514 2.748 20 0 FFADHO COC1CC[NH+](C(C)(C)CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000517407347 518141666 /nfs/dbraw/zinc/14/16/66/518141666.db2.gz UEPXTLQPIIPSLW-UHFFFAOYSA-N 1 3 373.541 2.902 20 0 FFADHO CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535096331 518151305 /nfs/dbraw/zinc/15/13/05/518151305.db2.gz NLGHZFUFRLQXCP-UXHICEINSA-N 1 3 373.545 2.696 20 0 FFADHO CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535096331 518151310 /nfs/dbraw/zinc/15/13/10/518151310.db2.gz NLGHZFUFRLQXCP-UXHICEINSA-N 1 3 373.545 2.696 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(OC)c(OC)cc2C)C1 ZINC000539849949 518171983 /nfs/dbraw/zinc/17/19/83/518171983.db2.gz IDINPWRSQBUAAK-GOSISDBHSA-N 1 3 350.503 2.945 20 0 FFADHO [NH3+]C[C@@H]1CN(CCOc2cccc(Br)c2)CC12CCOCC2 ZINC000566796908 518210247 /nfs/dbraw/zinc/21/02/47/518210247.db2.gz QJNNMLACJLFUSW-CQSZACIVSA-N 1 3 369.303 2.515 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)C1 ZINC000566843719 518229000 /nfs/dbraw/zinc/22/90/00/518229000.db2.gz RXKLMAOMLIWFOC-QUCCMNQESA-N 1 3 358.461 2.730 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)c1ccco1 ZINC000581330334 518233212 /nfs/dbraw/zinc/23/32/12/518233212.db2.gz XZLYAHLAVJBQIN-VDZJLULYSA-N 1 3 365.518 2.618 20 0 FFADHO C[C@@H]1CN(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C[C@@]1(C)C[NH3+] ZINC000569678072 518234717 /nfs/dbraw/zinc/23/47/17/518234717.db2.gz PZPNFKJKIGJXRO-STZQEDGTSA-N 1 3 370.541 2.621 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000581418545 518275950 /nfs/dbraw/zinc/27/59/50/518275950.db2.gz WHSIQJNYTRWQEV-HOTGVXAUSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000564074190 518294562 /nfs/dbraw/zinc/29/45/62/518294562.db2.gz ANTIMRGVAJJZHH-WQANXHIZSA-N 1 3 351.922 2.819 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccccc1C(F)(F)F ZINC000578618745 518295428 /nfs/dbraw/zinc/29/54/28/518295428.db2.gz PJMIPRIRIHHQAM-OAHLLOKOSA-N 1 3 358.404 2.662 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3nccs3)CC2)CC1 ZINC000578640372 518306642 /nfs/dbraw/zinc/30/66/42/518306642.db2.gz OOOJRLNARGASLF-UHFFFAOYSA-N 1 3 364.559 2.691 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1OC ZINC000572677644 518307005 /nfs/dbraw/zinc/30/70/05/518307005.db2.gz SLWUFOZBEOIUHE-IYBDPMFKSA-N 1 3 350.503 2.991 20 0 FFADHO C[C@@H]1CN(CCCc2cncn2C)C(C)(C)C[N@@H+]1CCCc1cncn1C ZINC000581497290 518316061 /nfs/dbraw/zinc/31/60/61/518316061.db2.gz QJWQQLHNEADOKB-GOSISDBHSA-N 1 3 372.561 2.504 20 0 FFADHO C[C@@H]1CN(CCCc2cncn2C)C(C)(C)C[N@H+]1CCCc1cncn1C ZINC000581497290 518316064 /nfs/dbraw/zinc/31/60/64/518316064.db2.gz QJWQQLHNEADOKB-GOSISDBHSA-N 1 3 372.561 2.504 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2cncn2C)C(C)(C)CN1CCCc1cncn1C ZINC000581497290 518316069 /nfs/dbraw/zinc/31/60/69/518316069.db2.gz QJWQQLHNEADOKB-GOSISDBHSA-N 1 3 372.561 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2cncn2C)C(C)(C)CN1CCCc1cncn1C ZINC000581497290 518316077 /nfs/dbraw/zinc/31/60/77/518316077.db2.gz QJWQQLHNEADOKB-GOSISDBHSA-N 1 3 372.561 2.504 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCCN2CCN(C)CC2)CC1 ZINC000569917129 518354871 /nfs/dbraw/zinc/35/48/71/518354871.db2.gz POTWCSGQPDUJNZ-NRFANRHFSA-N 1 3 372.601 2.699 20 0 FFADHO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000575949089 518356286 /nfs/dbraw/zinc/35/62/86/518356286.db2.gz LPZJVTJPTVRRJN-VQTJNVASSA-N 1 3 373.589 2.986 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CC[N@@H+](CC(C)C)C3)c2cc1C ZINC000584585498 518409878 /nfs/dbraw/zinc/40/98/78/518409878.db2.gz HXGQATODACCQHN-RBUKOAKNSA-N 1 3 358.530 2.582 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H]3CC[N@H+](CC(C)C)C3)c2cc1C ZINC000584585498 518409887 /nfs/dbraw/zinc/40/98/87/518409887.db2.gz HXGQATODACCQHN-RBUKOAKNSA-N 1 3 358.530 2.582 20 0 FFADHO c1cc(CN2CC[C@@H]3OCC[C@@H]3C2)cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000584588732 518412892 /nfs/dbraw/zinc/41/28/92/518412892.db2.gz ZEJWBWFLVTYUAJ-CZYKHXBRSA-N 1 3 356.510 2.908 20 0 FFADHO c1cc(CN2CC[C@@H]3OCC[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000584588732 518412898 /nfs/dbraw/zinc/41/28/98/518412898.db2.gz ZEJWBWFLVTYUAJ-CZYKHXBRSA-N 1 3 356.510 2.908 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(C)C ZINC000567248227 518429261 /nfs/dbraw/zinc/42/92/61/518429261.db2.gz RTJPBHOEUHUNHJ-NMLACTOBSA-N 1 3 358.530 2.674 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)c2ccccc2)CC1 ZINC000576211622 518482059 /nfs/dbraw/zinc/48/20/59/518482059.db2.gz PDPWBMZNZCJOMG-IBGZPJMESA-N 1 3 358.530 2.901 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 ZINC000567369899 518489693 /nfs/dbraw/zinc/48/96/93/518489693.db2.gz AOFXLAFHAPWDKO-UHFFFAOYSA-N 1 3 372.557 2.991 20 0 FFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000567383296 518497108 /nfs/dbraw/zinc/49/71/08/518497108.db2.gz XPTQDGSZYODLRW-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccccc1 ZINC000576272465 518512644 /nfs/dbraw/zinc/51/26/44/518512644.db2.gz ZFRWOHCYTBVCDK-LEWJYISDSA-N 1 3 354.494 2.581 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccccc1 ZINC000576272465 518512646 /nfs/dbraw/zinc/51/26/46/518512646.db2.gz ZFRWOHCYTBVCDK-LEWJYISDSA-N 1 3 354.494 2.581 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)COc1ccccc1 ZINC000576272465 518512651 /nfs/dbraw/zinc/51/26/51/518512651.db2.gz ZFRWOHCYTBVCDK-LEWJYISDSA-N 1 3 354.494 2.581 20 0 FFADHO CN(C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000579098834 518521070 /nfs/dbraw/zinc/52/10/70/518521070.db2.gz YRUIPYDQSCRHLU-WOJBJXKFSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000573136442 518523944 /nfs/dbraw/zinc/52/39/44/518523944.db2.gz ZDZAEAACSQQOID-IBGZPJMESA-N 1 3 355.526 2.843 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CCN1Cc1ccccc1 ZINC000582022300 518550143 /nfs/dbraw/zinc/55/01/43/518550143.db2.gz DQESXWTXGCJEBI-IZZBFERCSA-N 1 3 370.541 2.918 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)COCC(C)C)C2)s1 ZINC000573287734 518591498 /nfs/dbraw/zinc/59/14/98/518591498.db2.gz ZOAAQSIGBNZZTP-ROUUACIJSA-N 1 3 354.560 2.844 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)COCC(C)C)C2)s1 ZINC000573287734 518591504 /nfs/dbraw/zinc/59/15/04/518591504.db2.gz ZOAAQSIGBNZZTP-ROUUACIJSA-N 1 3 354.560 2.844 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582111355 518593192 /nfs/dbraw/zinc/59/31/92/518593192.db2.gz IKGWYWMEESATHT-SESVDKBCSA-N 1 3 370.541 2.860 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C)Cc4ccccc4C3)CC2)CC1 ZINC000570462248 518619602 /nfs/dbraw/zinc/61/96/02/518619602.db2.gz OPQRCFRBHUZKLH-UHFFFAOYSA-N 1 3 369.553 2.856 20 0 FFADHO CN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000582172885 518623117 /nfs/dbraw/zinc/62/31/17/518623117.db2.gz WCDPDGVGSLORRL-RJGXRXQPSA-N 1 3 370.585 2.657 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000570608190 518690022 /nfs/dbraw/zinc/69/00/22/518690022.db2.gz UVFBLNOIUJKWGZ-UHFFFAOYSA-N 1 3 367.563 2.714 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)COCc1ccc(Cl)cc1 ZINC000579464068 518693335 /nfs/dbraw/zinc/69/33/35/518693335.db2.gz YEQMNLJNJBINBY-IBGZPJMESA-N 1 3 352.906 2.824 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000576687651 518713000 /nfs/dbraw/zinc/71/30/00/518713000.db2.gz ZRHSDUYOTSICBD-BEVDRBHNSA-N 1 3 352.482 2.951 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987031 518729815 /nfs/dbraw/zinc/72/98/15/518729815.db2.gz MROFDSMHAGEDFX-MCIONIFRSA-N 1 3 371.403 2.844 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000567842689 518741262 /nfs/dbraw/zinc/74/12/62/518741262.db2.gz XNMVIFRBHMPHKJ-PPRPKMEESA-N 1 3 355.457 2.805 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000576749118 518743546 /nfs/dbraw/zinc/74/35/46/518743546.db2.gz MYSSMGSXRCRNCJ-AEFFLSMTSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000576749118 518743550 /nfs/dbraw/zinc/74/35/50/518743550.db2.gz MYSSMGSXRCRNCJ-AEFFLSMTSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000576749118 518743554 /nfs/dbraw/zinc/74/35/54/518743554.db2.gz MYSSMGSXRCRNCJ-AEFFLSMTSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000576749122 518743897 /nfs/dbraw/zinc/74/38/97/518743897.db2.gz MYSSMGSXRCRNCJ-WMZOPIPTSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000576749122 518743906 /nfs/dbraw/zinc/74/39/06/518743906.db2.gz MYSSMGSXRCRNCJ-WMZOPIPTSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000576749122 518743914 /nfs/dbraw/zinc/74/39/14/518743914.db2.gz MYSSMGSXRCRNCJ-WMZOPIPTSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000579572547 518746513 /nfs/dbraw/zinc/74/65/13/518746513.db2.gz YAXXOGWEBVYCCC-DOTOQJQBSA-N 1 3 352.548 2.818 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000567854871 518749164 /nfs/dbraw/zinc/74/91/64/518749164.db2.gz OBNPJBYCLBTKDK-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO COC1(CCN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000573628485 518757789 /nfs/dbraw/zinc/75/77/89/518757789.db2.gz LMXPWPVOJVNJAD-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO COC1(CCN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000573628485 518757797 /nfs/dbraw/zinc/75/77/97/518757797.db2.gz LMXPWPVOJVNJAD-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000579690191 518804270 /nfs/dbraw/zinc/80/42/70/518804270.db2.gz GXWPRBSNGFEFTA-QZTJIDSGSA-N 1 3 358.530 2.647 20 0 FFADHO Cn1c2ccccc2cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000573739682 518812170 /nfs/dbraw/zinc/81/21/70/518812170.db2.gz BNSZQZRKESKSIY-UWJYYQICSA-N 1 3 351.494 2.987 20 0 FFADHO Cn1c2ccccc2cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000573739682 518812178 /nfs/dbraw/zinc/81/21/78/518812178.db2.gz BNSZQZRKESKSIY-UWJYYQICSA-N 1 3 351.494 2.987 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000565183892 518831088 /nfs/dbraw/zinc/83/10/88/518831088.db2.gz YMWMGAKLTLMUHA-UHFFFAOYSA-N 1 3 355.482 2.983 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1=CCN(C)CC1 ZINC000573957117 518918375 /nfs/dbraw/zinc/91/83/75/518918375.db2.gz OGLMQIVNFJRUFI-WFASDCNBSA-N 1 3 359.297 2.973 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000574022105 518948183 /nfs/dbraw/zinc/94/81/83/518948183.db2.gz HFUPXJUYMAFBAO-PMACEKPBSA-N 1 3 350.466 2.899 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582854821 518953939 /nfs/dbraw/zinc/95/39/39/518953939.db2.gz ZBZJBMPOZXISPC-YADHBBJMSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582854821 518953947 /nfs/dbraw/zinc/95/39/47/518953947.db2.gz ZBZJBMPOZXISPC-YADHBBJMSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)COC1CCC([NH3+])CC1 ZINC000571162625 518957017 /nfs/dbraw/zinc/95/70/17/518957017.db2.gz ITJCRAQZFUAAMS-UHFFFAOYSA-N 1 3 367.921 2.517 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1 ZINC000577204732 518964102 /nfs/dbraw/zinc/96/41/02/518964102.db2.gz CYKRZIOOPDTARV-DOTOQJQBSA-N 1 3 356.470 2.552 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1 ZINC000577204732 518964111 /nfs/dbraw/zinc/96/41/11/518964111.db2.gz CYKRZIOOPDTARV-DOTOQJQBSA-N 1 3 356.470 2.552 20 0 FFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](N)CC(F)F)ccc21 ZINC000571204670 518977984 /nfs/dbraw/zinc/97/79/84/518977984.db2.gz QKGYPLGZLGYFRP-HNNXBMFYSA-N 1 3 352.429 2.904 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@@H](NCCOC[C@H]1CCCO1)c1ccccc1O2 ZINC000577256566 518989341 /nfs/dbraw/zinc/98/93/41/518989341.db2.gz PZRXVRIIJQLROZ-IEBWSBKVSA-N 1 3 360.498 2.760 20 0 FFADHO Cc1cccc(C(=O)NCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000577274184 519000429 /nfs/dbraw/zinc/00/04/29/519000429.db2.gz MQZVMCNDULRLRC-DENIHFKCSA-N 1 3 365.477 2.570 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000568372708 519007948 /nfs/dbraw/zinc/00/79/48/519007948.db2.gz JXQJJAMGTFXOGW-MJGOQNOKSA-N 1 3 358.530 2.728 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000574174862 519025581 /nfs/dbraw/zinc/02/55/81/519025581.db2.gz RQVJECCUJGQNTM-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO Cn1nccc1-c1ccccc1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000574225981 519049396 /nfs/dbraw/zinc/04/93/96/519049396.db2.gz GJHOFIDSLASGOA-YADHBBJMSA-N 1 3 368.525 2.945 20 0 FFADHO CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000565646440 519061444 /nfs/dbraw/zinc/06/14/44/519061444.db2.gz HBLPXZZGZUIEBR-SFHVURJKSA-N 1 3 356.445 2.896 20 0 FFADHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)COCc1ccc(Cl)cc1 ZINC000571433560 519094730 /nfs/dbraw/zinc/09/47/30/519094730.db2.gz LIJXLRDOJAKXBJ-ACBHZAAOSA-N 1 3 352.906 2.824 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000574426898 519151152 /nfs/dbraw/zinc/15/11/52/519151152.db2.gz OBRAKGYFDYJMGJ-DYESRHJHSA-N 1 3 358.530 2.810 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000574504571 519185878 /nfs/dbraw/zinc/18/58/78/519185878.db2.gz YJUZCJPWJMIZGG-IRLDBZIGSA-N 1 3 366.509 2.967 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000574504571 519185881 /nfs/dbraw/zinc/18/58/81/519185881.db2.gz YJUZCJPWJMIZGG-IRLDBZIGSA-N 1 3 366.509 2.967 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000577839422 519281919 /nfs/dbraw/zinc/28/19/19/519281919.db2.gz IVTXSWIWCXCTNY-UFRUDQCGSA-N 1 3 371.529 2.575 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)[C@@H]1CCCNC1 ZINC000577839648 519282852 /nfs/dbraw/zinc/28/28/52/519282852.db2.gz CQGIUGGXZWJROA-BSDSXHPESA-N 1 3 369.509 2.962 20 0 FFADHO C[C@H](CNC[C@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000566106333 519302409 /nfs/dbraw/zinc/30/24/09/519302409.db2.gz MRRDUYOFTCONEX-APWZRJJASA-N 1 3 354.922 2.929 20 0 FFADHO C[C@H](C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)CN1CCCCC1 ZINC000566106333 519302416 /nfs/dbraw/zinc/30/24/16/519302416.db2.gz MRRDUYOFTCONEX-APWZRJJASA-N 1 3 354.922 2.929 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000568974836 519312166 /nfs/dbraw/zinc/31/21/66/519312166.db2.gz CNAQZYHANMGELZ-IBGZPJMESA-N 1 3 356.514 2.506 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000577953235 519339476 /nfs/dbraw/zinc/33/94/76/519339476.db2.gz WJPVTSHJNWVMRX-SFHVURJKSA-N 1 3 371.447 2.945 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC(CC[NH2+]C)CC3)c2)CC1 ZINC000580762511 519344784 /nfs/dbraw/zinc/34/47/84/519344784.db2.gz XQIOLESITCIMRP-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773421 519352744 /nfs/dbraw/zinc/35/27/44/519352744.db2.gz MUOWNWCBPFNNGJ-QFIPXVFZSA-N 1 3 370.585 2.801 20 0 FFADHO CCN(C(=O)COC1CCC([NH3+])CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000578010953 519370556 /nfs/dbraw/zinc/37/05/56/519370556.db2.gz IVSUBFHLQVXCOM-MAKTXDPSSA-N 1 3 373.541 2.957 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNCC[C@@H](C)[NH+]3CCCCC3)c2cc1C ZINC000580829878 519382700 /nfs/dbraw/zinc/38/27/00/519382700.db2.gz XUSQMLGWZMNRFO-MOPGFXCFSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]CC[C@@H](C)N3CCCCC3)c2cc1C ZINC000580829878 519382709 /nfs/dbraw/zinc/38/27/09/519382709.db2.gz XUSQMLGWZMNRFO-MOPGFXCFSA-N 1 3 358.530 2.868 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000580848478 519391253 /nfs/dbraw/zinc/39/12/53/519391253.db2.gz ZXRIMGHDXRMMGI-CABCVRRESA-N 1 3 370.335 2.709 20 0 FFADHO CC(C)(CNC(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000578051212 519391278 /nfs/dbraw/zinc/39/12/78/519391278.db2.gz BEYXOHURLLDJAH-OAQYLSRUSA-N 1 3 358.530 2.512 20 0 FFADHO CN(CCCN(C)C(=O)NC1CC([NH+]2CCCCC2)C1)Cc1ccco1 ZINC000569155912 519404723 /nfs/dbraw/zinc/40/47/23/519404723.db2.gz NGBIEPHKYRJVBF-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO C[C@H](NC1(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000578129947 519434407 /nfs/dbraw/zinc/43/44/07/519434407.db2.gz JRMUXLIEHVPVEN-SXLOBPIMSA-N 1 3 373.541 2.910 20 0 FFADHO CN(Cc1cncc(C[N@H+](C)CC2(O)CCCC2)c1)CC1(O)CCCC1 ZINC000583793411 519435882 /nfs/dbraw/zinc/43/58/82/519435882.db2.gz SNXXDZGSRVTJSA-UHFFFAOYSA-N 1 3 361.530 2.555 20 0 FFADHO CN(Cc1cncc(C[N@@H+](C)CC2(O)CCCC2)c1)CC1(O)CCCC1 ZINC000583793411 519435889 /nfs/dbraw/zinc/43/58/89/519435889.db2.gz SNXXDZGSRVTJSA-UHFFFAOYSA-N 1 3 361.530 2.555 20 0 FFADHO Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000578242062 519493120 /nfs/dbraw/zinc/49/31/20/519493120.db2.gz HSYIBJJNRYTWMC-LJQANCHMSA-N 1 3 364.493 2.886 20 0 FFADHO C[C@@H](CCNCCN1C(=O)c2ccccc2C1=O)[N@H+](C)Cc1ccccc1 ZINC000572232223 519507911 /nfs/dbraw/zinc/50/79/11/519507911.db2.gz TUWJLZBWRDQHMJ-KRWDZBQOSA-N 1 3 365.477 2.783 20 0 FFADHO C[C@@H](CCNCCN1C(=O)c2ccccc2C1=O)[N@@H+](C)Cc1ccccc1 ZINC000572232223 519507921 /nfs/dbraw/zinc/50/79/21/519507921.db2.gz TUWJLZBWRDQHMJ-KRWDZBQOSA-N 1 3 365.477 2.783 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000591132266 519525383 /nfs/dbraw/zinc/52/53/83/519525383.db2.gz PTLKJFYCGUDTBE-HXUWFJFHSA-N 1 3 358.530 2.637 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)c3nccs3)CC2)CC1 ZINC000584011239 519547008 /nfs/dbraw/zinc/54/70/08/519547008.db2.gz FPNVDKDSJLHTFQ-HNNXBMFYSA-N 1 3 364.559 2.559 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000578359685 519554702 /nfs/dbraw/zinc/55/47/02/519554702.db2.gz SSVSUHZJBHYCML-QAPCUYQASA-N 1 3 369.868 2.636 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000581178932 519561221 /nfs/dbraw/zinc/56/12/21/519561221.db2.gz HMPKBJDSAQVNEU-SJORKVTESA-N 1 3 360.502 2.752 20 0 FFADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000575235013 519566808 /nfs/dbraw/zinc/56/68/08/519566808.db2.gz ZKRNAHJZCASUJR-IBGZPJMESA-N 1 3 358.530 2.728 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCC1 ZINC000566611070 519577820 /nfs/dbraw/zinc/57/78/20/519577820.db2.gz XGYNKLSLKBEVOB-NRFANRHFSA-N 1 3 370.541 2.826 20 0 FFADHO COCCn1cc2c(n1)[C@@H](NC1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000581236821 519592543 /nfs/dbraw/zinc/59/25/43/519592543.db2.gz XTGWAEPIZJWXQI-IBGZPJMESA-N 1 3 355.486 2.561 20 0 FFADHO C[N@H+](CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CCCC1 ZINC000591405299 519618170 /nfs/dbraw/zinc/61/81/70/519618170.db2.gz RKWFPTBKJAPECT-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO C[N@@H+](CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CCCC1 ZINC000591405299 519618174 /nfs/dbraw/zinc/61/81/74/519618174.db2.gz RKWFPTBKJAPECT-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC000602878461 519944731 /nfs/dbraw/zinc/94/47/31/519944731.db2.gz WQQBYQAJOIKRFR-KRWDZBQOSA-N 1 3 372.513 2.758 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@@]3(C)c3ccccc3)CC2)CC1 ZINC000608423685 519971590 /nfs/dbraw/zinc/97/15/90/519971590.db2.gz OOGPIXDZHQYRQX-IRLDBZIGSA-N 1 3 370.541 2.574 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000608698567 520085777 /nfs/dbraw/zinc/08/57/77/520085777.db2.gz XMSIBKSOCMXKMU-NRFANRHFSA-N 1 3 372.557 2.821 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000608698567 520085784 /nfs/dbraw/zinc/08/57/84/520085784.db2.gz XMSIBKSOCMXKMU-NRFANRHFSA-N 1 3 372.557 2.821 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN1CCCC1 ZINC000604019017 520429114 /nfs/dbraw/zinc/42/91/14/520429114.db2.gz PTXMLHUASBODOE-GOSISDBHSA-N 1 3 359.514 2.765 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN1CCCC1 ZINC000604019017 520429118 /nfs/dbraw/zinc/42/91/18/520429118.db2.gz PTXMLHUASBODOE-GOSISDBHSA-N 1 3 359.514 2.765 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000604097229 520450621 /nfs/dbraw/zinc/45/06/21/520450621.db2.gz OMCPMGZSHNENIZ-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000604097229 520450631 /nfs/dbraw/zinc/45/06/31/520450631.db2.gz OMCPMGZSHNENIZ-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000617505649 520541813 /nfs/dbraw/zinc/54/18/13/520541813.db2.gz LOJKMULGVRUVLD-XJABCFGWSA-N 1 3 357.542 2.669 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000617505649 520541818 /nfs/dbraw/zinc/54/18/18/520541818.db2.gz LOJKMULGVRUVLD-XJABCFGWSA-N 1 3 357.542 2.669 20 0 FFADHO Cc1cccc(Br)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617508161 520545416 /nfs/dbraw/zinc/54/54/16/520545416.db2.gz VNHWEIYKXWWBQB-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1cccc(Br)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617508161 520545423 /nfs/dbraw/zinc/54/54/23/520545423.db2.gz VNHWEIYKXWWBQB-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000604825395 520687338 /nfs/dbraw/zinc/68/73/38/520687338.db2.gz IEDHUQQJZNEOSQ-MSOLQXFVSA-N 1 3 358.530 2.948 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604826645 520687695 /nfs/dbraw/zinc/68/76/95/520687695.db2.gz GGYQYDZKGCEICG-GOSISDBHSA-N 1 3 363.550 2.521 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000617750997 520702179 /nfs/dbraw/zinc/70/21/79/520702179.db2.gz OTZBQVIFOJRCLH-QAPCUYQASA-N 1 3 371.447 2.897 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+](C)C ZINC000617759298 520706006 /nfs/dbraw/zinc/70/60/06/520706006.db2.gz CVTHACLQRPKTGR-RDJZCZTQSA-N 1 3 353.457 2.600 20 0 FFADHO C[NH+](C)CC1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000617975742 520813182 /nfs/dbraw/zinc/81/31/82/520813182.db2.gz BMIKQDLIHZOMGA-UHFFFAOYSA-N 1 3 372.557 2.922 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ncccc3F)CC2)CC1 ZINC000614219718 520854880 /nfs/dbraw/zinc/85/48/80/520854880.db2.gz CSDGAUCITUAVPY-OAHLLOKOSA-N 1 3 362.493 2.594 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000618551853 521118238 /nfs/dbraw/zinc/11/82/38/521118238.db2.gz LJLWOMOFBFYZQI-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000618551853 521118247 /nfs/dbraw/zinc/11/82/47/521118247.db2.gz LJLWOMOFBFYZQI-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000618551798 521119120 /nfs/dbraw/zinc/11/91/20/521119120.db2.gz CYRBXQZYYPUWFZ-PXNSSMCTSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000618551798 521119127 /nfs/dbraw/zinc/11/91/27/521119127.db2.gz CYRBXQZYYPUWFZ-PXNSSMCTSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606660127 521127479 /nfs/dbraw/zinc/12/74/79/521127479.db2.gz QZHCZDPIHURCKT-QUCCMNQESA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606683406 521133830 /nfs/dbraw/zinc/13/38/30/521133830.db2.gz XHEIICFDTMYGLX-OTWHNJEPSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655930 521193810 /nfs/dbraw/zinc/19/38/10/521193810.db2.gz ZTMFQFGGJONEIK-SWLSCSKDSA-N 1 3 358.267 2.811 20 0 FFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccc(I)cc1 ZINC000596655930 521193815 /nfs/dbraw/zinc/19/38/15/521193815.db2.gz ZTMFQFGGJONEIK-SWLSCSKDSA-N 1 3 358.267 2.811 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000608301961 521648548 /nfs/dbraw/zinc/64/85/48/521648548.db2.gz XZWSMKHKSKNOBR-FUHWJXTLSA-N 1 3 362.518 2.964 20 0 FFADHO Cn1ccnc1[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(F)c1 ZINC000635009527 521864263 /nfs/dbraw/zinc/86/42/63/521864263.db2.gz NVAXGGTXUQEXNE-IBGZPJMESA-N 1 3 366.444 2.565 20 0 FFADHO Fc1ccc([C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2cnccn2)cc1 ZINC000635010005 521864867 /nfs/dbraw/zinc/86/48/67/521864867.db2.gz POHVGIBMRWVCRV-HXUWFJFHSA-N 1 3 364.428 2.622 20 0 FFADHO Fc1ccc([C@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2cnccn2)cc1 ZINC000635009995 521865572 /nfs/dbraw/zinc/86/55/72/521865572.db2.gz POHVGIBMRWVCRV-FQEVSTJZSA-N 1 3 364.428 2.622 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635014016 521866477 /nfs/dbraw/zinc/86/64/77/521866477.db2.gz XQLLRCIONFIPSR-QINHECLXSA-N 1 3 360.523 2.742 20 0 FFADHO COc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)c1OC ZINC000635011442 521867210 /nfs/dbraw/zinc/86/72/10/521867210.db2.gz NVEGSYRFCJKKOH-OAHLLOKOSA-N 1 3 356.470 2.990 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OC1CC1 ZINC000623453282 522033284 /nfs/dbraw/zinc/03/32/84/522033284.db2.gz HQXZUUKPLPICJW-MOPGFXCFSA-N 1 3 360.498 2.704 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000623636723 522180900 /nfs/dbraw/zinc/18/09/00/522180900.db2.gz GZVMAERBVCRPPL-GGPKGHCWSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@H+]1CCCC[C@H]1C ZINC000623636723 522180907 /nfs/dbraw/zinc/18/09/07/522180907.db2.gz GZVMAERBVCRPPL-GGPKGHCWSA-N 1 3 358.530 2.673 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635448394 522272482 /nfs/dbraw/zinc/27/24/82/522272482.db2.gz XPYYGHGOYSWLPY-INIZCTEOSA-N 1 3 371.447 2.937 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635448394 522272492 /nfs/dbraw/zinc/27/24/92/522272492.db2.gz XPYYGHGOYSWLPY-INIZCTEOSA-N 1 3 371.447 2.937 20 0 FFADHO O=C1[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1ccc(Cl)cc1F ZINC000629531879 522299306 /nfs/dbraw/zinc/29/93/06/522299306.db2.gz BXHHRYNIWOXWDA-CAVOSLQRSA-N 1 3 351.853 2.562 20 0 FFADHO Brc1ccc(S[C@@H]2CCN(CCN3CC[NH2+]CC3)C2)cc1 ZINC000629551882 522307002 /nfs/dbraw/zinc/30/70/02/522307002.db2.gz YEQKAPSJUBIISK-MRXNPFEDSA-N 1 3 370.360 2.521 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623890169 522350464 /nfs/dbraw/zinc/35/04/64/522350464.db2.gz DTDZGLIDBZMBSQ-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623890169 522350473 /nfs/dbraw/zinc/35/04/73/522350473.db2.gz DTDZGLIDBZMBSQ-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892931 522351568 /nfs/dbraw/zinc/35/15/68/522351568.db2.gz AGJGKQWNICKIRH-IEBWSBKVSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892931 522351585 /nfs/dbraw/zinc/35/15/85/522351585.db2.gz AGJGKQWNICKIRH-IEBWSBKVSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000623892931 522351596 /nfs/dbraw/zinc/35/15/96/522351596.db2.gz AGJGKQWNICKIRH-IEBWSBKVSA-N 1 3 367.541 2.906 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000623906573 522359295 /nfs/dbraw/zinc/35/92/95/522359295.db2.gz ZXRPXFUQFSIIFP-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000623906573 522359303 /nfs/dbraw/zinc/35/93/03/522359303.db2.gz ZXRPXFUQFSIIFP-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO CN(CCOCC[NH3+])Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000629664698 522382447 /nfs/dbraw/zinc/38/24/47/522382447.db2.gz PYLUQKIRYATWGL-UHFFFAOYSA-N 1 3 355.198 2.875 20 0 FFADHO COCCCN(C)CCOc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC000629707402 522407471 /nfs/dbraw/zinc/40/74/71/522407471.db2.gz KRZMMADLIKBACA-UHFFFAOYSA-N 1 3 372.513 2.822 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635736363 522492218 /nfs/dbraw/zinc/49/22/18/522492218.db2.gz LUZFFCGLTDEULK-MOPGFXCFSA-N 1 3 359.514 2.547 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635736363 522492229 /nfs/dbraw/zinc/49/22/29/522492229.db2.gz LUZFFCGLTDEULK-MOPGFXCFSA-N 1 3 359.514 2.547 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000633074962 522517073 /nfs/dbraw/zinc/51/70/73/522517073.db2.gz WUFHTVBPJUSAOA-MJGOQNOKSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000633074962 522517080 /nfs/dbraw/zinc/51/70/80/522517080.db2.gz WUFHTVBPJUSAOA-MJGOQNOKSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000626921831 522530623 /nfs/dbraw/zinc/53/06/23/522530623.db2.gz KASGXPYJRNAERG-ARFHVFGLSA-N 1 3 350.532 2.571 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c2cccs2)CC1 ZINC000626922000 522530688 /nfs/dbraw/zinc/53/06/88/522530688.db2.gz MDWQFTKMPHKLEF-IXDOHACOSA-N 1 3 364.559 2.961 20 0 FFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCC1 ZINC000629967212 522554302 /nfs/dbraw/zinc/55/43/02/522554302.db2.gz IDCHCUKGLJPWOD-QFIPXVFZSA-N 1 3 355.526 2.985 20 0 FFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000629967212 522554308 /nfs/dbraw/zinc/55/43/08/522554308.db2.gz IDCHCUKGLJPWOD-QFIPXVFZSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621372575 522807539 /nfs/dbraw/zinc/80/75/39/522807539.db2.gz XQMCCTRIBUTONX-GMQQQROESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621372575 522807541 /nfs/dbraw/zinc/80/75/41/522807541.db2.gz XQMCCTRIBUTONX-GMQQQROESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621372575 522807543 /nfs/dbraw/zinc/80/75/43/522807543.db2.gz XQMCCTRIBUTONX-GMQQQROESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621372575 522807546 /nfs/dbraw/zinc/80/75/46/522807546.db2.gz XQMCCTRIBUTONX-GMQQQROESA-N 1 3 360.542 2.587 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000624610562 522816649 /nfs/dbraw/zinc/81/66/49/522816649.db2.gz VIJPLQMBYIWDII-PCCBWWKXSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000624610562 522816657 /nfs/dbraw/zinc/81/66/57/522816657.db2.gz VIJPLQMBYIWDII-PCCBWWKXSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000624613216 522819225 /nfs/dbraw/zinc/81/92/25/522819225.db2.gz OJDHDWXQVQBQMQ-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000624613216 522819238 /nfs/dbraw/zinc/81/92/38/522819238.db2.gz OJDHDWXQVQBQMQ-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc2ccccc2o1 ZINC000624651094 522843029 /nfs/dbraw/zinc/84/30/29/522843029.db2.gz RLUDUCDXUHICMK-GOSISDBHSA-N 1 3 357.498 2.850 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc2ccccc2o1 ZINC000624651094 522843039 /nfs/dbraw/zinc/84/30/39/522843039.db2.gz RLUDUCDXUHICMK-GOSISDBHSA-N 1 3 357.498 2.850 20 0 FFADHO CN(C)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000633766622 522982102 /nfs/dbraw/zinc/98/21/02/522982102.db2.gz QWJYFFDBUJTGLJ-MRXNPFEDSA-N 1 3 357.420 2.766 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636487703 523013395 /nfs/dbraw/zinc/01/33/95/523013395.db2.gz WGTBMELDJAMBPM-INIZCTEOSA-N 1 3 362.522 2.536 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636487703 523013403 /nfs/dbraw/zinc/01/34/03/523013403.db2.gz WGTBMELDJAMBPM-INIZCTEOSA-N 1 3 362.522 2.536 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)Nc2cnn(C3CCN(C)CC3)c2)CC1 ZINC000636687807 523143635 /nfs/dbraw/zinc/14/36/35/523143635.db2.gz IXLVJRSAOAXNQP-UHFFFAOYSA-N 1 3 362.522 2.536 20 0 FFADHO CCc1oc2ccccc2c1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000628050776 523302862 /nfs/dbraw/zinc/30/28/62/523302862.db2.gz MLQQGEPOCWHCCJ-INIZCTEOSA-N 1 3 359.514 2.926 20 0 FFADHO CCc1oc2ccccc2c1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000628050776 523302868 /nfs/dbraw/zinc/30/28/68/523302868.db2.gz MLQQGEPOCWHCCJ-INIZCTEOSA-N 1 3 359.514 2.926 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCN1C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033318 523376326 /nfs/dbraw/zinc/37/63/26/523376326.db2.gz JKHIZESHCOTMOK-ABSDTBQOSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCN1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637033318 523376338 /nfs/dbraw/zinc/37/63/38/523376338.db2.gz JKHIZESHCOTMOK-ABSDTBQOSA-N 1 3 362.562 2.956 20 0 FFADHO CN(C)[C@@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000634637351 523538194 /nfs/dbraw/zinc/53/81/94/523538194.db2.gz TUFBMFYLXVAYPX-AZUAARDMSA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000634637351 523538199 /nfs/dbraw/zinc/53/81/99/523538199.db2.gz TUFBMFYLXVAYPX-AZUAARDMSA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@@H](C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccs1 ZINC000634637351 523538203 /nfs/dbraw/zinc/53/82/03/523538203.db2.gz TUFBMFYLXVAYPX-AZUAARDMSA-N 1 3 359.539 2.577 20 0 FFADHO c1cnc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CCC2 ZINC000631576814 523701470 /nfs/dbraw/zinc/70/14/70/523701470.db2.gz NQDXTOXRZPVAIS-NRFANRHFSA-N 1 3 351.498 2.656 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000625854736 523721130 /nfs/dbraw/zinc/72/11/30/523721130.db2.gz DFRDFHVIKRWYMS-SFHVURJKSA-N 1 3 374.554 2.684 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000631663656 523741215 /nfs/dbraw/zinc/74/12/15/523741215.db2.gz KKBQZQDUKAKJSW-KJXAQDMKSA-N 1 3 371.569 2.988 20 0 FFADHO CC[NH+](CC)CC1CC[NH+](CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821189540 606885210 /nfs/dbraw/zinc/88/52/10/606885210.db2.gz OISMMBSSLBQLME-UHFFFAOYSA-N 1 3 372.517 2.689 20 0 FFADHO CC[NH+](CC)CC1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821189540 606885212 /nfs/dbraw/zinc/88/52/12/606885212.db2.gz OISMMBSSLBQLME-UHFFFAOYSA-N 1 3 372.517 2.689 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000187856955 729382039 /nfs/dbraw/zinc/38/20/39/729382039.db2.gz RSTCWDGNDQMCML-CQSZACIVSA-N 1 3 354.882 2.611 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000261626296 729651077 /nfs/dbraw/zinc/65/10/77/729651077.db2.gz GRIXVYGOBDDCLZ-ZDUSSCGKSA-N 1 3 361.433 2.585 20 0 FFADHO [NH3+]Cc1ccc2c(c1)N(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)CCO2 ZINC000638807836 730045410 /nfs/dbraw/zinc/04/54/10/730045410.db2.gz PQENEQCYCTZDFN-STQMWFEESA-N 1 3 358.360 2.618 20 0 FFADHO [NH3+]C1CCC(N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000643503610 730292932 /nfs/dbraw/zinc/29/29/32/730292932.db2.gz KWVYWKVJBDELMB-ORHYLEIMSA-N 1 3 373.316 2.527 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cccc(Br)n1 ZINC000924966930 738466835 /nfs/dbraw/zinc/46/68/35/738466835.db2.gz RWYJYKLFHZQZQO-CQSZACIVSA-N 1 3 355.324 2.522 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cccc(Br)n1 ZINC000924966930 738466838 /nfs/dbraw/zinc/46/68/38/738466838.db2.gz RWYJYKLFHZQZQO-CQSZACIVSA-N 1 3 355.324 2.522 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C[C@@H]1N(C)C ZINC000857163893 730382283 /nfs/dbraw/zinc/38/22/83/730382283.db2.gz HBFTYVPOERTWIY-GBESFXJTSA-N 1 3 361.555 2.613 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C[C@@H]1N(C)C ZINC000857163893 730382285 /nfs/dbraw/zinc/38/22/85/730382285.db2.gz HBFTYVPOERTWIY-GBESFXJTSA-N 1 3 361.555 2.613 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862481855 730704064 /nfs/dbraw/zinc/70/40/64/730704064.db2.gz ADWRUNPDIASIGJ-JKSUJKDBSA-N 1 3 355.523 2.680 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862481855 730704066 /nfs/dbraw/zinc/70/40/66/730704066.db2.gz ADWRUNPDIASIGJ-JKSUJKDBSA-N 1 3 355.523 2.680 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862481855 730704068 /nfs/dbraw/zinc/70/40/68/730704068.db2.gz ADWRUNPDIASIGJ-JKSUJKDBSA-N 1 3 355.523 2.680 20 0 FFADHO C[C@H]1C[N@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000648379837 730804342 /nfs/dbraw/zinc/80/43/42/730804342.db2.gz CLMFTBHTZIIMRP-KSSFIOAISA-N 1 3 362.905 2.939 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cc3cc(Cl)cnc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000648379837 730804344 /nfs/dbraw/zinc/80/43/44/730804344.db2.gz CLMFTBHTZIIMRP-KSSFIOAISA-N 1 3 362.905 2.939 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccsc1 ZINC000868052079 731254940 /nfs/dbraw/zinc/25/49/40/731254940.db2.gz NLBPUYKEJVBTCB-KBAYOESNSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccsc1 ZINC000868052079 731254943 /nfs/dbraw/zinc/25/49/43/731254943.db2.gz NLBPUYKEJVBTCB-KBAYOESNSA-N 1 3 364.559 2.867 20 0 FFADHO CCOc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(Cl)c1[O-] ZINC000656499171 731584171 /nfs/dbraw/zinc/58/41/71/731584171.db2.gz YSUVSHXUCUJLTQ-OAHLLOKOSA-N 1 3 367.921 2.702 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000925783827 738529773 /nfs/dbraw/zinc/52/97/73/738529773.db2.gz OXZLUFWARUUJDI-OCCSQVGLSA-N 1 3 352.429 2.866 20 0 FFADHO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000658990513 731933949 /nfs/dbraw/zinc/93/39/49/731933949.db2.gz YMMVAYIBTMXOTO-GOSISDBHSA-N 1 3 364.559 2.773 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)N(C)C)cc1 ZINC000662663678 732344269 /nfs/dbraw/zinc/34/42/69/732344269.db2.gz OYRHLSGBWYHQLQ-WBVHZDCISA-N 1 3 357.420 2.510 20 0 FFADHO CN(CC(C)(C)[NH3+])C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000662841830 732361517 /nfs/dbraw/zinc/36/15/17/732361517.db2.gz CANKGGDRUDRIOV-QGZVFWFLSA-N 1 3 357.420 2.637 20 0 FFADHO Cn1ncc(C(=O)OC(C)(C)C)c1CNC1CCC(C)([NH+](C)C)CC1 ZINC000877711547 732417636 /nfs/dbraw/zinc/41/76/36/732417636.db2.gz NLIQPBIWQHWDSI-UHFFFAOYSA-N 1 3 350.507 2.728 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000663799072 732494811 /nfs/dbraw/zinc/49/48/11/732494811.db2.gz XEEGHXHTOLFAMP-KSSFIOAISA-N 1 3 366.937 2.899 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000663799072 732494815 /nfs/dbraw/zinc/49/48/15/732494815.db2.gz XEEGHXHTOLFAMP-KSSFIOAISA-N 1 3 366.937 2.899 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664629229 732610041 /nfs/dbraw/zinc/61/00/41/732610041.db2.gz JTLLZQMSEULVOG-LZLYRXPVSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664629229 732610044 /nfs/dbraw/zinc/61/00/44/732610044.db2.gz JTLLZQMSEULVOG-LZLYRXPVSA-N 1 3 350.551 2.811 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000664874199 732642335 /nfs/dbraw/zinc/64/23/35/732642335.db2.gz HGIZJLMQDFEJJH-YESZJQIVSA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccco1 ZINC000664874199 732642338 /nfs/dbraw/zinc/64/23/38/732642338.db2.gz HGIZJLMQDFEJJH-YESZJQIVSA-N 1 3 350.507 2.835 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000665761973 732753124 /nfs/dbraw/zinc/75/31/24/732753124.db2.gz WFFWOFHNAQXXFZ-ZNMIVQPWSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000665761973 732753128 /nfs/dbraw/zinc/75/31/28/732753128.db2.gz WFFWOFHNAQXXFZ-ZNMIVQPWSA-N 1 3 366.472 2.631 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCNCCC12CCC2 ZINC000883457575 733387864 /nfs/dbraw/zinc/38/78/64/733387864.db2.gz HYONIDPGXHYFET-UHFFFAOYSA-N 1 3 351.878 2.895 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCNCCC12CCC2 ZINC000883457575 733387865 /nfs/dbraw/zinc/38/78/65/733387865.db2.gz HYONIDPGXHYFET-UHFFFAOYSA-N 1 3 351.878 2.895 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000893400970 734697888 /nfs/dbraw/zinc/69/78/88/734697888.db2.gz IEEOTIHKGOKRNP-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCC(C)CC2)CC1)[NH+]1CCCCC1 ZINC000734661243 734908957 /nfs/dbraw/zinc/90/89/57/734908957.db2.gz KFZBQYRMJNNGRW-JLAWEPINSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2Cl)[C@H](C)C1 ZINC000749345451 735716233 /nfs/dbraw/zinc/71/62/33/735716233.db2.gz BXRCCZVYISYWTO-SUMDDJOVSA-N 1 3 354.922 2.880 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2Cl)[C@H](C)C1 ZINC000749345451 735716236 /nfs/dbraw/zinc/71/62/36/735716236.db2.gz BXRCCZVYISYWTO-SUMDDJOVSA-N 1 3 354.922 2.880 20 0 FFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2COCC[C@H]2OC)ccc1OC ZINC000903299067 736072763 /nfs/dbraw/zinc/07/27/63/736072763.db2.gz DBFYXAPLNOSGNW-XFQXTVEOSA-N 1 3 350.503 2.992 20 0 FFADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922551 736188934 /nfs/dbraw/zinc/18/89/34/736188934.db2.gz ZGZOUSPBISBAMI-XCRHUMRWSA-N 1 3 363.893 2.722 20 0 FFADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2cc(Cl)cc(Cl)c2)cnn1C ZINC000903923393 736189218 /nfs/dbraw/zinc/18/92/18/736189218.db2.gz SRCUAPZVMYWJTB-AWEZNQCLSA-N 1 3 355.313 2.985 20 0 FFADHO CCN(CC)c1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922389772 738135445 /nfs/dbraw/zinc/13/54/45/738135445.db2.gz WNBCTSQWZBZFKH-MTNOOBJLSA-N 1 3 366.575 2.559 20 0 FFADHO CCN(CC)c1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922389772 738135448 /nfs/dbraw/zinc/13/54/48/738135448.db2.gz WNBCTSQWZBZFKH-MTNOOBJLSA-N 1 3 366.575 2.559 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3F)C2)[C@H]1C(C)C ZINC000922395262 738137496 /nfs/dbraw/zinc/13/74/96/738137496.db2.gz RVCDRTGRDMPHIR-UAFMIMERSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3F)C2)[C@H]1C(C)C ZINC000922395262 738137499 /nfs/dbraw/zinc/13/74/99/738137499.db2.gz RVCDRTGRDMPHIR-UAFMIMERSA-N 1 3 350.478 2.794 20 0 FFADHO FC(F)(F)c1csc([C@H]2CCCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000923370378 738276776 /nfs/dbraw/zinc/27/67/76/738276776.db2.gz GBONAHBRGXDSQG-RYUDHWBXSA-N 1 3 361.433 2.720 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(Cl)c1 ZINC000819172130 742347392 /nfs/dbraw/zinc/34/73/92/742347392.db2.gz BFJXXTJMUDEDJW-IPMKNSEASA-N 1 3 352.906 2.731 20 0 FFADHO C[C@](O)(C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930060156 739053663 /nfs/dbraw/zinc/05/36/63/739053663.db2.gz GCXXUCPIRWVRCX-UBHSHLNASA-N 1 3 356.379 2.884 20 0 FFADHO C[C@](O)(C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930060156 739053667 /nfs/dbraw/zinc/05/36/67/739053667.db2.gz GCXXUCPIRWVRCX-UBHSHLNASA-N 1 3 356.379 2.884 20 0 FFADHO CCCC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034608 739202459 /nfs/dbraw/zinc/20/24/59/739202459.db2.gz UZSUMBWQMPRQJV-MRXNPFEDSA-N 1 3 373.607 2.679 20 0 FFADHO CCCC[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034608 739202460 /nfs/dbraw/zinc/20/24/60/739202460.db2.gz UZSUMBWQMPRQJV-MRXNPFEDSA-N 1 3 373.607 2.679 20 0 FFADHO Cc1ncsc1CN1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385873 740343767 /nfs/dbraw/zinc/34/37/67/740343767.db2.gz QEHTZLMWOFSFQO-IXDOHACOSA-N 1 3 364.559 2.605 20 0 FFADHO Cc1ncsc1CN1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385873 740343772 /nfs/dbraw/zinc/34/37/72/740343772.db2.gz QEHTZLMWOFSFQO-IXDOHACOSA-N 1 3 364.559 2.605 20 0 FFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001022104837 742644061 /nfs/dbraw/zinc/64/40/61/742644061.db2.gz FXVALZPFCHUFJM-YTHJTJSOSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001022104837 742644063 /nfs/dbraw/zinc/64/40/63/742644063.db2.gz FXVALZPFCHUFJM-YTHJTJSOSA-N 1 3 351.441 2.603 20 0 FFADHO Cc1cc(CN2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001049485404 743465698 /nfs/dbraw/zinc/46/56/98/743465698.db2.gz MZSPXOQDSUMXDL-OWYHZJEWSA-N 1 3 361.555 2.962 20 0 FFADHO Cc1cc(CN2CC[C@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001049485404 743465702 /nfs/dbraw/zinc/46/57/02/743465702.db2.gz MZSPXOQDSUMXDL-OWYHZJEWSA-N 1 3 361.555 2.962 20 0 FFADHO Cc1nc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001050327799 743511415 /nfs/dbraw/zinc/51/14/15/743511415.db2.gz DEWVNDOPEZULEZ-GFOCRRMGSA-N 1 3 364.559 2.556 20 0 FFADHO Cc1nc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001050327799 743511420 /nfs/dbraw/zinc/51/14/20/743511420.db2.gz DEWVNDOPEZULEZ-GFOCRRMGSA-N 1 3 364.559 2.556 20 0 FFADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363771 747818488 /nfs/dbraw/zinc/81/84/88/747818488.db2.gz PXJXCUBJUFLDIA-CQSZACIVSA-N 1 3 367.896 2.902 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC000844187368 747984941 /nfs/dbraw/zinc/98/49/41/747984941.db2.gz GRBCDJMTNWKIQX-CVEARBPZSA-N 1 3 352.910 2.766 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC000844187368 747984944 /nfs/dbraw/zinc/98/49/44/747984944.db2.gz GRBCDJMTNWKIQX-CVEARBPZSA-N 1 3 352.910 2.766 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C)c1Br ZINC000849088800 749048216 /nfs/dbraw/zinc/04/82/16/749048216.db2.gz RHSZZYVTDNTKRQ-CQSZACIVSA-N 1 3 353.308 2.856 20 0 FFADHO Cn1c(Cl)nc(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000850344468 749345701 /nfs/dbraw/zinc/34/57/01/749345701.db2.gz JRHATCMUHFGRBF-UHFFFAOYSA-N 1 3 361.317 2.708 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1c(F)cccc1F ZINC000853464531 750066079 /nfs/dbraw/zinc/06/60/79/750066079.db2.gz WLCLFNHVUBVCMK-UONOGXRCSA-N 1 3 356.461 2.597 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1c(F)cccc1F ZINC000853464531 750066086 /nfs/dbraw/zinc/06/60/86/750066086.db2.gz WLCLFNHVUBVCMK-UONOGXRCSA-N 1 3 356.461 2.597 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000384978541 845825993 /nfs/dbraw/zinc/82/59/93/845825993.db2.gz PGOXYVWMXYHNEQ-IAGOWNOFSA-N 1 3 357.539 2.721 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)ccc2F)C1 ZINC001104809274 970872458 /nfs/dbraw/zinc/87/24/58/970872458.db2.gz CNPJZRMJGCDBRG-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO Cc1nn(C)cc1CN(C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739680 970900840 /nfs/dbraw/zinc/90/08/40/970900840.db2.gz GLQKNSSXFFREPL-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739680 970900849 /nfs/dbraw/zinc/90/08/49/970900849.db2.gz GLQKNSSXFFREPL-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO Cc1nn(C)cc1C[N@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739680 970900857 /nfs/dbraw/zinc/90/08/57/970900857.db2.gz GLQKNSSXFFREPL-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO Cc1nn(C)cc1CN(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739680 970900863 /nfs/dbraw/zinc/90/08/63/970900863.db2.gz GLQKNSSXFFREPL-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO Cc1nn(C)cc1CN(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739680 970900874 /nfs/dbraw/zinc/90/08/74/970900874.db2.gz GLQKNSSXFFREPL-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660005951 971106234 /nfs/dbraw/zinc/10/62/34/971106234.db2.gz HIGAGXXUKYYAMP-KRWDZBQOSA-N 1 3 362.566 2.947 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660005951 971106240 /nfs/dbraw/zinc/10/62/40/971106240.db2.gz HIGAGXXUKYYAMP-KRWDZBQOSA-N 1 3 362.566 2.947 20 0 FFADHO CC(=O)Nc1ccc(C[NH+]2CCC(N[C@H](C)c3c[nH]nc3C)CC2)cc1 ZINC000651437169 971524695 /nfs/dbraw/zinc/52/46/95/971524695.db2.gz BXAVEKPIALCJAE-CQSZACIVSA-N 1 3 355.486 2.992 20 0 FFADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C ZINC001481276887 971561021 /nfs/dbraw/zinc/56/10/21/971561021.db2.gz GQTVSMCQEIOQRX-OKZBNKHCSA-N 1 3 367.484 2.670 20 0 FFADHO O[C@]1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCOC1 ZINC000652046714 971783609 /nfs/dbraw/zinc/78/36/09/971783609.db2.gz YRPMHYWCOZXDGD-CBPXPLCBSA-N 1 3 358.526 2.808 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC001125937983 971786557 /nfs/dbraw/zinc/78/65/57/971786557.db2.gz GSRRVCVFFLXNEU-GOSISDBHSA-N 1 3 353.457 2.728 20 0 FFADHO CCc1cccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974607531 972055461 /nfs/dbraw/zinc/05/54/61/972055461.db2.gz SZMKCUNAAUAQFZ-AHRSYUTCSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1cccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974607531 972055467 /nfs/dbraw/zinc/05/54/67/972055467.db2.gz SZMKCUNAAUAQFZ-AHRSYUTCSA-N 1 3 357.542 2.916 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](CCC3CC3)C2)C1=O ZINC001275896541 1013157232 /nfs/dbraw/zinc/15/72/32/1013157232.db2.gz YTXIUGOGSFUZHN-IRLDBZIGSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](CCC3CC3)C2)C1=O ZINC001275896541 1013157244 /nfs/dbraw/zinc/15/72/44/1013157244.db2.gz YTXIUGOGSFUZHN-IRLDBZIGSA-N 1 3 355.526 2.666 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccc(OC)cc4C3)CC2)CC1 ZINC000655316831 959739797 /nfs/dbraw/zinc/73/97/97/959739797.db2.gz CFHYFADJXNYONS-UHFFFAOYSA-N 1 3 371.525 2.734 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccc(C3CC3)cc2)C1 ZINC000969697991 959774718 /nfs/dbraw/zinc/77/47/18/959774718.db2.gz BDZTVELSDCIYEJ-GCKMJXCFSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccc(C3CC3)cc2)C1 ZINC000969697991 959774727 /nfs/dbraw/zinc/77/47/27/959774727.db2.gz BDZTVELSDCIYEJ-GCKMJXCFSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000652367758 960387252 /nfs/dbraw/zinc/38/72/52/960387252.db2.gz OEWXXXWTWNOMNA-NQIIRXRSSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000652367758 960387258 /nfs/dbraw/zinc/38/72/58/960387258.db2.gz OEWXXXWTWNOMNA-NQIIRXRSSA-N 1 3 370.541 2.634 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000872279621 1013198349 /nfs/dbraw/zinc/19/83/49/1013198349.db2.gz FYDMGBBFPRYXGC-VQTJNVASSA-N 1 3 359.514 2.737 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655724645 961172782 /nfs/dbraw/zinc/17/27/82/961172782.db2.gz WGEOTNOOPPEVKO-KNKQGSTJSA-N 1 3 371.569 2.986 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001095424067 1013332318 /nfs/dbraw/zinc/33/23/18/1013332318.db2.gz DMYKYSKKPPFTPS-CZYKHXBRSA-N 1 3 367.537 2.867 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)c2ccccc2O1 ZINC000683860636 962514320 /nfs/dbraw/zinc/51/43/20/962514320.db2.gz OZBJEZHYIUCGNN-QGZVFWFLSA-N 1 3 359.514 2.854 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000656380983 963471197 /nfs/dbraw/zinc/47/11/97/963471197.db2.gz NTGAQYFGTZMEFB-FQEVSTJZSA-N 1 3 372.557 2.944 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000656380983 963471203 /nfs/dbraw/zinc/47/12/03/963471203.db2.gz NTGAQYFGTZMEFB-FQEVSTJZSA-N 1 3 372.557 2.944 20 0 FFADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000873224057 1013434186 /nfs/dbraw/zinc/43/41/86/1013434186.db2.gz XAULRJATOYFNLF-JOCHJYFZSA-N 1 3 373.541 2.789 20 0 FFADHO C[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000873233952 1013436447 /nfs/dbraw/zinc/43/64/47/1013436447.db2.gz CDNNWMFIFBANSI-QFBILLFUSA-N 1 3 352.482 2.827 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)C12CCCC2 ZINC000873243481 1013442368 /nfs/dbraw/zinc/44/23/68/1013442368.db2.gz LVXQHZRFCSGFHD-MOPGFXCFSA-N 1 3 355.486 2.553 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000389868308 963794382 /nfs/dbraw/zinc/79/43/82/963794382.db2.gz IANYKEIRXNTCMT-FXAWDEMLSA-N 1 3 366.509 2.663 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(C(F)F)c3)C2)CC[N@@H+]1C ZINC000971564137 964176624 /nfs/dbraw/zinc/17/66/24/964176624.db2.gz UAQKVOKVQFWLHM-ZTFGCOKTSA-N 1 3 365.468 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(C(F)F)c3)C2)CC[N@H+]1C ZINC000971564137 964176636 /nfs/dbraw/zinc/17/66/36/964176636.db2.gz UAQKVOKVQFWLHM-ZTFGCOKTSA-N 1 3 365.468 2.997 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(F)cc3C)C2)CC[N@@H+]1C ZINC000971566188 964178641 /nfs/dbraw/zinc/17/86/41/964178641.db2.gz BJGVQYIGUMRCTB-SLFFLAALSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(F)cc3C)C2)CC[N@H+]1C ZINC000971566188 964178652 /nfs/dbraw/zinc/17/86/52/964178652.db2.gz BJGVQYIGUMRCTB-SLFFLAALSA-N 1 3 361.505 2.897 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000891541634 964448956 /nfs/dbraw/zinc/44/89/56/964448956.db2.gz CYFOFDIJIUYAHG-FQEVSTJZSA-N 1 3 356.514 2.577 20 0 FFADHO COC1CCC(C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CC1 ZINC000891940753 965449392 /nfs/dbraw/zinc/44/93/92/965449392.db2.gz RTZXBOQPANQBRO-UHFFFAOYSA-N 1 3 359.558 2.941 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978608 967198952 /nfs/dbraw/zinc/19/89/52/967198952.db2.gz VOVUXWJLIVLZEQ-PMACEKPBSA-N 1 3 373.541 2.803 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnn(Cc4ccccc4)c3)C2)C1 ZINC000650706394 967545072 /nfs/dbraw/zinc/54/50/72/967545072.db2.gz JRKNBWZMDAGDRI-PWRODBHTSA-N 1 3 354.498 2.650 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645440499 967729545 /nfs/dbraw/zinc/72/95/45/967729545.db2.gz ZQRKMDDREWGQFJ-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645440499 967729561 /nfs/dbraw/zinc/72/95/61/967729561.db2.gz ZQRKMDDREWGQFJ-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001023379246 967763467 /nfs/dbraw/zinc/76/34/67/967763467.db2.gz IWDIKUSSTFNTKN-WIQCAUQHSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C/C=C\c3ccccc3)C2)CC[N@H+]1C ZINC001023379246 967763474 /nfs/dbraw/zinc/76/34/74/967763474.db2.gz IWDIKUSSTFNTKN-WIQCAUQHSA-N 1 3 355.526 2.868 20 0 FFADHO COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000657866592 968107366 /nfs/dbraw/zinc/10/73/66/968107366.db2.gz DDKCNWZSOOYXIP-FGZHOGPDSA-N 1 3 360.542 2.972 20 0 FFADHO COc1ccc(NC(=O)CCN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1 ZINC001177008200 1013826847 /nfs/dbraw/zinc/82/68/47/1013826847.db2.gz HWFGMKHCGGNEKE-OYRHEFFESA-N 1 3 357.498 2.832 20 0 FFADHO COc1ccc(NC(=O)CCN2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cc1 ZINC001177008200 1013826854 /nfs/dbraw/zinc/82/68/54/1013826854.db2.gz HWFGMKHCGGNEKE-OYRHEFFESA-N 1 3 357.498 2.832 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000659020995 969633275 /nfs/dbraw/zinc/63/32/75/969633275.db2.gz AETDXIRILCZXIM-UHFFFAOYSA-N 1 3 367.497 2.835 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000659032570 969647282 /nfs/dbraw/zinc/64/72/82/969647282.db2.gz RYTPWJHWKXTVNS-FQEVSTJZSA-N 1 3 368.481 2.731 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)C2)CC1 ZINC000659037520 969655877 /nfs/dbraw/zinc/65/58/77/969655877.db2.gz ICGQORRRYCKSHT-UYAOXDASSA-N 1 3 372.513 2.543 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000659047758 969667937 /nfs/dbraw/zinc/66/79/37/969667937.db2.gz USXSQKCZIDPEFQ-OXJNMPFZSA-N 1 3 372.513 2.686 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[N@H+](C2CCC2)C1 ZINC000659047758 969667941 /nfs/dbraw/zinc/66/79/41/969667941.db2.gz USXSQKCZIDPEFQ-OXJNMPFZSA-N 1 3 372.513 2.686 20 0 FFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)CNCCO4)cc21 ZINC000659313845 969827299 /nfs/dbraw/zinc/82/72/99/969827299.db2.gz RITXXBUFHFBBTQ-MRXNPFEDSA-N 1 3 351.450 2.800 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659426726 969917695 /nfs/dbraw/zinc/91/76/95/969917695.db2.gz BODYYTLVOUPCIZ-LEWJYISDSA-N 1 3 370.541 2.682 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001104690490 970110526 /nfs/dbraw/zinc/11/05/26/970110526.db2.gz GLFXVDFAZRGYLL-MCIONIFRSA-N 1 3 350.334 2.720 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892790441 970294294 /nfs/dbraw/zinc/29/42/94/970294294.db2.gz GAKPOWFRRQCWRF-FQEVSTJZSA-N 1 3 358.530 2.608 20 0 FFADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000665363904 970376410 /nfs/dbraw/zinc/37/64/10/970376410.db2.gz FIRXCOKLRWFBPQ-IBGZPJMESA-N 1 3 360.546 2.941 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cs1 ZINC001088106780 972826103 /nfs/dbraw/zinc/82/61/03/972826103.db2.gz QHIKKXCXANQZAN-IPELMVKDSA-N 1 3 361.555 2.679 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cs1 ZINC001088106780 972826113 /nfs/dbraw/zinc/82/61/13/972826113.db2.gz QHIKKXCXANQZAN-IPELMVKDSA-N 1 3 361.555 2.679 20 0 FFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088121579 972921545 /nfs/dbraw/zinc/92/15/45/972921545.db2.gz NCRSXWWJLUFHHX-UHOSZYNNSA-N 1 3 352.482 2.802 20 0 FFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088121579 972921557 /nfs/dbraw/zinc/92/15/57/972921557.db2.gz NCRSXWWJLUFHHX-UHOSZYNNSA-N 1 3 352.482 2.802 20 0 FFADHO COC(=O)c1cnc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000896932911 973048839 /nfs/dbraw/zinc/04/88/39/973048839.db2.gz UZNVGBILPSZHNL-NVXWUHKLSA-N 1 3 373.522 2.972 20 0 FFADHO COC(=O)c1cnc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000896932911 973048847 /nfs/dbraw/zinc/04/88/47/973048847.db2.gz UZNVGBILPSZHNL-NVXWUHKLSA-N 1 3 373.522 2.972 20 0 FFADHO COC(=O)c1cnc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000896932911 973048855 /nfs/dbraw/zinc/04/88/55/973048855.db2.gz UZNVGBILPSZHNL-NVXWUHKLSA-N 1 3 373.522 2.972 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000897018509 973157762 /nfs/dbraw/zinc/15/77/62/973157762.db2.gz ZISUPAQJHIXCAG-SXLOBPIMSA-N 1 3 359.514 2.677 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000897018509 973157772 /nfs/dbraw/zinc/15/77/72/973157772.db2.gz ZISUPAQJHIXCAG-SXLOBPIMSA-N 1 3 359.514 2.677 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)cc1CN1CCCCC1 ZINC000840826013 973378755 /nfs/dbraw/zinc/37/87/55/973378755.db2.gz PUHHDKZCBRMFMH-SJLPKXTDSA-N 1 3 359.514 2.858 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN(Cc3ccsc3)C[C@H]2C1 ZINC001088212156 973669274 /nfs/dbraw/zinc/66/92/74/973669274.db2.gz SNMUXVXHDIIDDE-MOPGFXCFSA-N 1 3 361.555 2.904 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(C/C=C\Cl)C[C@H]2C1)[NH+]1CCCC1 ZINC001088212705 973680109 /nfs/dbraw/zinc/68/01/09/973680109.db2.gz IZWLDEPWRGRAAH-IEANYPGHSA-N 1 3 353.938 2.640 20 0 FFADHO C[C@@H]1CCN(C(=O)NCCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000652315413 974824146 /nfs/dbraw/zinc/82/41/46/974824146.db2.gz UYUBALYJDCKOEH-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C(=O)NCCC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000652319095 974851035 /nfs/dbraw/zinc/85/10/35/974851035.db2.gz LMHWTJNYHROSSY-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348189 974952103 /nfs/dbraw/zinc/95/21/03/974952103.db2.gz WZEHTTSFLVQFGU-MJUUVYJYSA-N 1 3 373.541 2.560 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680126 975068897 /nfs/dbraw/zinc/06/88/97/975068897.db2.gz HXUVOLJBJIXZFU-FPMVPNIMSA-N 1 3 352.482 2.893 20 0 FFADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)[C@@H]1CCC[NH3+] ZINC000662312474 975428420 /nfs/dbraw/zinc/42/84/20/975428420.db2.gz GQJFARUZIVJWLQ-IEBWSBKVSA-N 1 3 373.545 2.850 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000666995262 975596138 /nfs/dbraw/zinc/59/61/38/975596138.db2.gz IQJJHMZGRHJYQV-HUUCEWRRSA-N 1 3 361.486 2.685 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662588704 975722411 /nfs/dbraw/zinc/72/24/11/975722411.db2.gz FNSILGPIAXDVEL-NHCUHLMSSA-N 1 3 370.541 2.532 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001027892780 975732304 /nfs/dbraw/zinc/73/23/04/975732304.db2.gz CMKOSGPYHNEPCU-AYOQOUSVSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001027892780 975732312 /nfs/dbraw/zinc/73/23/12/975732312.db2.gz CMKOSGPYHNEPCU-AYOQOUSVSA-N 1 3 354.498 2.589 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2)CC1 ZINC000653241103 1014281697 /nfs/dbraw/zinc/28/16/97/1014281697.db2.gz XWVGIERKZZASEB-NQIIRXRSSA-N 1 3 372.557 2.807 20 0 FFADHO C[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000662638475 975773865 /nfs/dbraw/zinc/77/38/65/975773865.db2.gz QXYKGMLHTRTIMQ-DYESRHJHSA-N 1 3 366.509 2.746 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638497 975773925 /nfs/dbraw/zinc/77/39/25/975773925.db2.gz RNZBHZOKBXZVEV-PMACEKPBSA-N 1 3 358.530 2.708 20 0 FFADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1Cc1nc2c(s1)CNCC2 ZINC000663493509 976048671 /nfs/dbraw/zinc/04/86/71/976048671.db2.gz INZPUDRLWMTFJS-MJGOQNOKSA-N 1 3 370.566 2.961 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001167841397 976511726 /nfs/dbraw/zinc/51/17/26/976511726.db2.gz MHDQUZLVDPVQKB-IBGZPJMESA-N 1 3 374.577 2.709 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCc4cc(F)ccc43)CC2)CC1 ZINC000667642253 976570953 /nfs/dbraw/zinc/57/09/53/976570953.db2.gz URPBWZZJCKPDCG-HXUWFJFHSA-N 1 3 359.489 2.530 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C/C=C/c2ccccc2)C3)CC[N@@H+]1C ZINC000981780995 976789432 /nfs/dbraw/zinc/78/94/32/976789432.db2.gz UCLJUMAOCYZMMA-VDUMAWNISA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(C/C=C/c2ccccc2)C3)CC[N@H+]1C ZINC000981780995 976789438 /nfs/dbraw/zinc/78/94/38/976789438.db2.gz UCLJUMAOCYZMMA-VDUMAWNISA-N 1 3 367.537 2.964 20 0 FFADHO [NH3+]Cc1cccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000667735349 976871289 /nfs/dbraw/zinc/87/12/89/976871289.db2.gz QXBMVPUDNRSFBS-FQEVSTJZSA-N 1 3 368.481 2.558 20 0 FFADHO COc1ccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)cc1 ZINC000990760659 976948478 /nfs/dbraw/zinc/94/84/78/976948478.db2.gz GWULOWGDOZALTH-ZEFBCVDJSA-N 1 3 371.525 2.649 20 0 FFADHO COc1ccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)cc1 ZINC000990760659 976948483 /nfs/dbraw/zinc/94/84/83/976948483.db2.gz GWULOWGDOZALTH-ZEFBCVDJSA-N 1 3 371.525 2.649 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cnccc2C)CC3)CC[N@@H+]1C ZINC000990762371 976963061 /nfs/dbraw/zinc/96/30/61/976963061.db2.gz MDMPVXVCRYJFDR-IIZPIQPGSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cnccc2C)CC3)CC[N@H+]1C ZINC000990762371 976963072 /nfs/dbraw/zinc/96/30/72/976963072.db2.gz MDMPVXVCRYJFDR-IIZPIQPGSA-N 1 3 370.541 2.734 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1CCc1ccccc1F ZINC001088817659 977021566 /nfs/dbraw/zinc/02/15/66/977021566.db2.gz ZWTGTAGYYIDQCV-WQDJSCAQSA-N 1 3 361.505 2.678 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1CCc1ccccc1F ZINC001088817659 977021576 /nfs/dbraw/zinc/02/15/76/977021576.db2.gz ZWTGTAGYYIDQCV-WQDJSCAQSA-N 1 3 361.505 2.678 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793603 977039647 /nfs/dbraw/zinc/03/96/47/977039647.db2.gz GSXDAECHNRJSAU-HOTGVXAUSA-N 1 3 359.518 2.607 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cnc4c(c3)CNCC4)C2)CC1 ZINC000667795930 977055491 /nfs/dbraw/zinc/05/54/91/977055491.db2.gz VOUOPHJKVJBBNE-KRWDZBQOSA-N 1 3 371.529 2.703 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2OCC(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000894076260 977655761 /nfs/dbraw/zinc/65/57/61/977655761.db2.gz MANHQQUBXMMNFG-SJLPKXTDSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000894076260 977655766 /nfs/dbraw/zinc/65/57/66/977655766.db2.gz MANHQQUBXMMNFG-SJLPKXTDSA-N 1 3 367.484 2.788 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(Cl)ccc1F ZINC001481812025 977685040 /nfs/dbraw/zinc/68/50/40/977685040.db2.gz FRAXLZHXDMUBHV-DAXOMENPSA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(Cl)ccc1F ZINC001481812025 977685046 /nfs/dbraw/zinc/68/50/46/977685046.db2.gz FRAXLZHXDMUBHV-DAXOMENPSA-N 1 3 355.885 2.804 20 0 FFADHO CCCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645178162 977926199 /nfs/dbraw/zinc/92/61/99/977926199.db2.gz ARXJCHVRPDAPAK-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645178162 977926204 /nfs/dbraw/zinc/92/62/04/977926204.db2.gz ARXJCHVRPDAPAK-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO N[C@@H](CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccccc1 ZINC000163274903 979094406 /nfs/dbraw/zinc/09/44/06/979094406.db2.gz GTLKDWJWPTZPPF-IBGZPJMESA-N 1 3 367.449 2.624 20 0 FFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244311 979279021 /nfs/dbraw/zinc/27/90/21/979279021.db2.gz OJDYETMHDFGCJU-SQGPQFPESA-N 1 3 353.526 2.778 20 0 FFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244311 979279026 /nfs/dbraw/zinc/27/90/26/979279026.db2.gz OJDYETMHDFGCJU-SQGPQFPESA-N 1 3 353.526 2.778 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3cnc(C)o3)CC2)CC[N@@H+]1C ZINC000963343913 1014594249 /nfs/dbraw/zinc/59/42/49/1014594249.db2.gz CDWPVBSQLMOKEQ-YVZJPGBNSA-N 1 3 362.518 2.573 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3cnc(C)o3)CC2)CC[N@H+]1C ZINC000963343913 1014594257 /nfs/dbraw/zinc/59/42/57/1014594257.db2.gz CDWPVBSQLMOKEQ-YVZJPGBNSA-N 1 3 362.518 2.573 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])cc2)CC1 ZINC000904282434 980234002 /nfs/dbraw/zinc/23/40/02/980234002.db2.gz SLXLSFBSPSHFRG-LAUBAEHRSA-N 1 3 371.529 2.564 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccc(CCN3CCSCC3)cc1)C2 ZINC000904320456 980241901 /nfs/dbraw/zinc/24/19/01/980241901.db2.gz HUQLQLBLOWBALU-SCTDSRPQSA-N 1 3 374.554 2.621 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904389773 980261982 /nfs/dbraw/zinc/26/19/82/980261982.db2.gz UQBUXLFGMXRPSG-LJQANCHMSA-N 1 3 354.498 2.819 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904393377 980262944 /nfs/dbraw/zinc/26/29/44/980262944.db2.gz RNAKSXXFWYOYAX-IBGZPJMESA-N 1 3 358.461 2.650 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097985 980387220 /nfs/dbraw/zinc/38/72/20/980387220.db2.gz PQKJQVDLJWDQNX-SFTDATJTSA-N 1 3 360.542 2.587 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097985 980387224 /nfs/dbraw/zinc/38/72/24/980387224.db2.gz PQKJQVDLJWDQNX-SFTDATJTSA-N 1 3 360.542 2.587 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CC1(O)CCCCC1 ZINC000905097985 980387229 /nfs/dbraw/zinc/38/72/29/980387229.db2.gz PQKJQVDLJWDQNX-SFTDATJTSA-N 1 3 360.542 2.587 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000905154361 980388307 /nfs/dbraw/zinc/38/83/07/980388307.db2.gz JWGHSVNMQUXJSJ-LAUBAEHRSA-N 1 3 366.546 2.858 20 0 FFADHO Cc1cccnc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211914456 980768700 /nfs/dbraw/zinc/76/87/00/980768700.db2.gz AZXMPPUJKXYAOV-QGZVFWFLSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cccnc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211914456 980768707 /nfs/dbraw/zinc/76/87/07/980768707.db2.gz AZXMPPUJKXYAOV-QGZVFWFLSA-N 1 3 361.449 2.629 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000666624518 981076425 /nfs/dbraw/zinc/07/64/25/981076425.db2.gz JNRDZTXXERZDBB-AEFFLSMTSA-N 1 3 354.498 2.545 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000666624518 981076428 /nfs/dbraw/zinc/07/64/28/981076428.db2.gz JNRDZTXXERZDBB-AEFFLSMTSA-N 1 3 354.498 2.545 20 0 FFADHO Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666623992 981077920 /nfs/dbraw/zinc/07/79/20/981077920.db2.gz BWJRIEXCXIKFQK-INIZCTEOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666623992 981077924 /nfs/dbraw/zinc/07/79/24/981077924.db2.gz BWJRIEXCXIKFQK-INIZCTEOSA-N 1 3 372.517 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(COC)c3)[C@@H]2C)CC[N@@H+]1C ZINC001088578978 981292515 /nfs/dbraw/zinc/29/25/15/981292515.db2.gz HFGQTRRUMGMRMJ-MBPVOVBZSA-N 1 3 373.541 2.642 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(COC)c3)[C@@H]2C)CC[N@H+]1C ZINC001088578978 981292522 /nfs/dbraw/zinc/29/25/22/981292522.db2.gz HFGQTRRUMGMRMJ-MBPVOVBZSA-N 1 3 373.541 2.642 20 0 FFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCCCN3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC001212101003 981654349 /nfs/dbraw/zinc/65/43/49/981654349.db2.gz HMEVMUKRQZPVFD-QZTJIDSGSA-N 1 3 355.486 2.687 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc4onc(C)c4c3)CC2)CC1 ZINC000654686048 1014842210 /nfs/dbraw/zinc/84/22/10/1014842210.db2.gz HCLYKAKKRAVFCH-UHFFFAOYSA-N 1 3 371.485 2.666 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000897853741 982536613 /nfs/dbraw/zinc/53/66/13/982536613.db2.gz WMZVHPPVLGZPEG-PZJWPPBQSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000897853741 982536616 /nfs/dbraw/zinc/53/66/16/982536616.db2.gz WMZVHPPVLGZPEG-PZJWPPBQSA-N 1 3 359.514 2.679 20 0 FFADHO c1ccc(CN2CC[C@@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655765051 982725395 /nfs/dbraw/zinc/72/53/95/982725395.db2.gz XTQIVIMOYAKJAN-RBBKRZOGSA-N 1 3 357.542 2.742 20 0 FFADHO CCc1ccccc1CCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702725 983020993 /nfs/dbraw/zinc/02/09/93/983020993.db2.gz FYVLPFJIHQDYHR-NQIIRXRSSA-N 1 3 369.553 2.999 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cnc(Cl)s2)C2CC2)CC[N@@H+]1C ZINC001483563765 984084273 /nfs/dbraw/zinc/08/42/73/984084273.db2.gz KWFOJLIEVMFDBW-RRFJBIMHSA-N 1 3 370.950 2.511 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cnc(Cl)s2)C2CC2)CC[N@H+]1C ZINC001483563765 984084281 /nfs/dbraw/zinc/08/42/81/984084281.db2.gz KWFOJLIEVMFDBW-RRFJBIMHSA-N 1 3 370.950 2.511 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3cc(F)cc(F)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827186 984141575 /nfs/dbraw/zinc/14/15/75/984141575.db2.gz SGOWFCWEBQTDKO-FSPWUOQZSA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3cc(F)cc(F)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995827186 984141577 /nfs/dbraw/zinc/14/15/77/984141577.db2.gz SGOWFCWEBQTDKO-FSPWUOQZSA-N 1 3 365.468 2.632 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)c1 ZINC000995829815 984142422 /nfs/dbraw/zinc/14/24/22/984142422.db2.gz DFQXVKWONLBSES-SZVBFZGTSA-N 1 3 361.505 2.801 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)c1 ZINC000995829815 984142425 /nfs/dbraw/zinc/14/24/25/984142425.db2.gz DFQXVKWONLBSES-SZVBFZGTSA-N 1 3 361.505 2.801 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)[C@H](C1CC1)N1CCCC1 ZINC001107485050 984588411 /nfs/dbraw/zinc/58/84/11/984588411.db2.gz HBDDKBITIJOQDO-WSTZPKSXSA-N 1 3 351.510 2.581 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)[C@H](C1CC1)N1CCCC1 ZINC001107485050 984588415 /nfs/dbraw/zinc/58/84/15/984588415.db2.gz HBDDKBITIJOQDO-WSTZPKSXSA-N 1 3 351.510 2.581 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112110621 984644310 /nfs/dbraw/zinc/64/43/10/984644310.db2.gz YJBGZYGGKWHWSW-OAGGEKHMSA-N 1 3 361.452 2.806 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112110621 984644314 /nfs/dbraw/zinc/64/43/14/984644314.db2.gz YJBGZYGGKWHWSW-OAGGEKHMSA-N 1 3 361.452 2.806 20 0 FFADHO CC1(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[NH2+]CC1 ZINC000669483630 984651706 /nfs/dbraw/zinc/65/17/06/984651706.db2.gz FPMZVLOPTHBDQX-LJQANCHMSA-N 1 3 358.530 2.903 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669483627 984651712 /nfs/dbraw/zinc/65/17/12/984651712.db2.gz FFRDZBJUCZMPCV-VQTJNVASSA-N 1 3 356.514 2.750 20 0 FFADHO CCO[C@@H](C[N@@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12)C1CC1 ZINC001107581734 984743154 /nfs/dbraw/zinc/74/31/54/984743154.db2.gz KQJUQPMNRKMROF-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CCO[C@@H](C[N@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12)C1CC1 ZINC001107581734 984743159 /nfs/dbraw/zinc/74/31/59/984743159.db2.gz KQJUQPMNRKMROF-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccncc1C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646343 984936687 /nfs/dbraw/zinc/93/66/87/984936687.db2.gz HMAXDWFNSRWDRQ-TZIWHRDSSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ccncc1C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646343 984936693 /nfs/dbraw/zinc/93/66/93/984936693.db2.gz HMAXDWFNSRWDRQ-TZIWHRDSSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ccc2c(c1)COC2 ZINC001088898996 985384028 /nfs/dbraw/zinc/38/40/28/985384028.db2.gz GQXYTXPYPBCMGX-IERDGZPVSA-N 1 3 371.525 2.528 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)OCC3(C)C)CC2)CC1 ZINC000654794683 985548438 /nfs/dbraw/zinc/54/84/38/985548438.db2.gz NJUVTVZZQHZZBE-UHFFFAOYSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc2ncccc2c1 ZINC001088980463 985732463 /nfs/dbraw/zinc/73/24/63/985732463.db2.gz IYUNBOOODMUHSI-KPFFTGBYSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2ncccc2c1 ZINC001088980463 985732469 /nfs/dbraw/zinc/73/24/69/985732469.db2.gz IYUNBOOODMUHSI-KPFFTGBYSA-N 1 3 366.509 2.656 20 0 FFADHO CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000878746727 1015196593 /nfs/dbraw/zinc/19/65/93/1015196593.db2.gz DCDPPLPOHBHFEJ-UHFFFAOYSA-N 1 3 360.502 2.851 20 0 FFADHO CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000878746727 1015196597 /nfs/dbraw/zinc/19/65/97/1015196597.db2.gz DCDPPLPOHBHFEJ-UHFFFAOYSA-N 1 3 360.502 2.851 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C3CC3)C2)CC[N@@H+]1C ZINC001007370452 1015205997 /nfs/dbraw/zinc/20/59/97/1015205997.db2.gz ADBPXRJFHBHULC-NSISKUIASA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C3CC3)C2)CC[N@H+]1C ZINC001007370452 1015206001 /nfs/dbraw/zinc/20/60/01/1015206001.db2.gz ADBPXRJFHBHULC-NSISKUIASA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000673142687 987826741 /nfs/dbraw/zinc/82/67/41/987826741.db2.gz PSPHOLBMZAPPPI-WMZOPIPTSA-N 1 3 371.485 2.636 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCc2cccs2)[C@H](C)C1 ZINC001106336172 987973568 /nfs/dbraw/zinc/97/35/68/987973568.db2.gz FXRJXBRZRFAYTF-HZPDHXFCSA-N 1 3 351.560 2.705 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)ccc2O1 ZINC000922239629 988225126 /nfs/dbraw/zinc/22/51/26/988225126.db2.gz JSHKLKDGJFQTLU-IERDGZPVSA-N 1 3 352.478 2.866 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)ccc2O1 ZINC000922239629 988225133 /nfs/dbraw/zinc/22/51/33/988225133.db2.gz JSHKLKDGJFQTLU-IERDGZPVSA-N 1 3 352.478 2.866 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311812992 988271462 /nfs/dbraw/zinc/27/14/62/988271462.db2.gz PBUTZCNJPTYUCB-LEWJYISDSA-N 1 3 351.494 2.585 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000311812992 988271473 /nfs/dbraw/zinc/27/14/73/988271473.db2.gz PBUTZCNJPTYUCB-LEWJYISDSA-N 1 3 351.494 2.585 20 0 FFADHO CCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1OC ZINC000657594312 988338548 /nfs/dbraw/zinc/33/85/48/988338548.db2.gz OTPRLJPVNUNCEI-HXUWFJFHSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OC ZINC000657594312 988338561 /nfs/dbraw/zinc/33/85/61/988338561.db2.gz OTPRLJPVNUNCEI-HXUWFJFHSA-N 1 3 370.493 2.950 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc(OC3CC3)c1F)C2 ZINC000922390222 988545903 /nfs/dbraw/zinc/54/59/03/988545903.db2.gz LUXKYZSTHVNLEO-DGQTTZFYSA-N 1 3 362.489 2.936 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc(OC3CC3)c1F)C2 ZINC000922390222 988545911 /nfs/dbraw/zinc/54/59/11/988545911.db2.gz LUXKYZSTHVNLEO-DGQTTZFYSA-N 1 3 362.489 2.936 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001106664971 988608265 /nfs/dbraw/zinc/60/82/65/988608265.db2.gz DIOCCUBYMFQVJB-OWCLPIDISA-N 1 3 363.468 2.887 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000763142837 989099508 /nfs/dbraw/zinc/09/95/08/989099508.db2.gz TXSXCDCXOYVOQS-UHFFFAOYSA-N 1 3 359.514 2.848 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1(C)C ZINC000186730247 989152735 /nfs/dbraw/zinc/15/27/35/989152735.db2.gz QSTKOIZLNMIJNR-NQIIRXRSSA-N 1 3 361.530 2.677 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)CN1Cc1ccccc1 ZINC000652167616 1015485141 /nfs/dbraw/zinc/48/51/41/1015485141.db2.gz ZKAWVPIJSOYZMU-BEFAXECRSA-N 1 3 370.472 2.747 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H](c3nnc[n-]3)C3CCCCC3)cc2)C1 ZINC000658140254 989911196 /nfs/dbraw/zinc/91/11/96/989911196.db2.gz UWYVRNIPAIUKDV-WOJBJXKFSA-N 1 3 369.513 2.783 20 0 FFADHO NCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000168952298 989911463 /nfs/dbraw/zinc/91/14/63/989911463.db2.gz ALPHQQNVQCHZJA-CQSZACIVSA-N 1 3 367.371 2.761 20 0 FFADHO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000168952298 989911470 /nfs/dbraw/zinc/91/14/70/989911470.db2.gz ALPHQQNVQCHZJA-CQSZACIVSA-N 1 3 367.371 2.761 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCc3ccccc3F)C2)CC[N@@H+]1C ZINC001034213867 989968062 /nfs/dbraw/zinc/96/80/62/989968062.db2.gz CXOVUDHKRCBMBZ-NZSAHSFTSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCc3ccccc3F)C2)CC[N@H+]1C ZINC001034213867 989968067 /nfs/dbraw/zinc/96/80/67/989968067.db2.gz CXOVUDHKRCBMBZ-NZSAHSFTSA-N 1 3 361.505 2.679 20 0 FFADHO Cc1ccc(F)cc1CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214193 989970533 /nfs/dbraw/zinc/97/05/33/989970533.db2.gz IIUUJGQIHRZGRT-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)cc1CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214193 989970541 /nfs/dbraw/zinc/97/05/41/989970541.db2.gz IIUUJGQIHRZGRT-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO CCN(C(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652345678 1015532349 /nfs/dbraw/zinc/53/23/49/1015532349.db2.gz IMYPJYRRPYRKHJ-JPLJXNOCSA-N 1 3 359.514 2.646 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000675532193 990297159 /nfs/dbraw/zinc/29/71/59/990297159.db2.gz CIIBTKILPGBMOI-BWPNAZKDSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000675532193 990297169 /nfs/dbraw/zinc/29/71/69/990297169.db2.gz CIIBTKILPGBMOI-BWPNAZKDSA-N 1 3 358.530 2.536 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000918122906 990340128 /nfs/dbraw/zinc/34/01/28/990340128.db2.gz VVAOVCCMWROCLX-NQIIRXRSSA-N 1 3 372.557 2.997 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000675824900 990390755 /nfs/dbraw/zinc/39/07/55/990390755.db2.gz JVOLYJSXGXKZHA-HKBOAZHASA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000675824900 990390761 /nfs/dbraw/zinc/39/07/61/990390761.db2.gz JVOLYJSXGXKZHA-HKBOAZHASA-N 1 3 370.541 2.777 20 0 FFADHO COc1cc(F)c([C@@H](C)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000675872817 990402823 /nfs/dbraw/zinc/40/28/23/990402823.db2.gz JTENFOXOWMBMOJ-CABCVRRESA-N 1 3 365.493 2.662 20 0 FFADHO C[C@@H](CCN1CCC(c2c[nH]cn2)CC1)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000676251963 990526160 /nfs/dbraw/zinc/52/61/60/990526160.db2.gz UFGIPFQTVYXLCF-INIZCTEOSA-N 1 3 356.518 2.970 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C[C@H]3CCN3C3CCOCC3)CC2)cc1 ZINC000922951617 990764900 /nfs/dbraw/zinc/76/49/00/990764900.db2.gz BIIGQMZINFTFNJ-JOCHJYFZSA-N 1 3 357.542 2.536 20 0 FFADHO CC(C)N(C)CC(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923183595 990949052 /nfs/dbraw/zinc/94/90/52/990949052.db2.gz SHNUXSZGIHBYKW-FQEVSTJZSA-N 1 3 373.541 2.657 20 0 FFADHO O=c1[nH]c(CCN2CCC([C@H]3CCC[NH2+]CC3)CC2)nc2ccccc21 ZINC000923503718 991204159 /nfs/dbraw/zinc/20/41/59/991204159.db2.gz NLEQTZFTKQOAPS-INIZCTEOSA-N 1 3 354.498 2.980 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760174 991300979 /nfs/dbraw/zinc/30/09/79/991300979.db2.gz YDKBLTRFIAFGRR-KDOFPFPSSA-N 1 3 367.449 2.951 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760174 991300988 /nfs/dbraw/zinc/30/09/88/991300988.db2.gz YDKBLTRFIAFGRR-KDOFPFPSSA-N 1 3 367.449 2.951 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)[C@H](C)C1 ZINC001106907576 991384304 /nfs/dbraw/zinc/38/43/04/991384304.db2.gz SHVFPWRYUQZCRP-QINHECLXSA-N 1 3 361.505 2.839 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC001106910845 991534032 /nfs/dbraw/zinc/53/40/32/991534032.db2.gz RFRZSXROLKDIMZ-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CC[N@H+](CCCNC(=O)Nc1cnc2c(c1)CNCC2)C1CCCCC1 ZINC000652610795 1015654933 /nfs/dbraw/zinc/65/49/33/1015654933.db2.gz MVWJQKFXGQRRIL-UHFFFAOYSA-N 1 3 359.518 2.894 20 0 FFADHO CC[N@@H+](CCCNC(=O)Nc1cnc2c(c1)CNCC2)C1CCCCC1 ZINC000652610795 1015654940 /nfs/dbraw/zinc/65/49/40/1015654940.db2.gz MVWJQKFXGQRRIL-UHFFFAOYSA-N 1 3 359.518 2.894 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079197770 991914298 /nfs/dbraw/zinc/91/42/98/991914298.db2.gz ZXLBPLZHGBQORQ-XUVXKRRUSA-N 1 3 363.521 2.952 20 0 FFADHO C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052433 992677407 /nfs/dbraw/zinc/67/74/07/992677407.db2.gz JKSNUTKEJHXTHF-AUUYWEPGSA-N 1 3 352.413 2.724 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001081178324 993738504 /nfs/dbraw/zinc/73/85/04/993738504.db2.gz LUNHYKGVTDAOKM-VQTJNVASSA-N 1 3 357.542 2.959 20 0 FFADHO CO[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)[C@H]1CCCN1CC(C)C ZINC001081885033 994005870 /nfs/dbraw/zinc/00/58/70/994005870.db2.gz XGDZSWHANOISBQ-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)[C@H]1CCCN1CC(C)C ZINC001081885033 994005881 /nfs/dbraw/zinc/00/58/81/994005881.db2.gz XGDZSWHANOISBQ-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)C1 ZINC001170549922 994094648 /nfs/dbraw/zinc/09/46/48/994094648.db2.gz LFFHOVBGKJHLTF-MOPGFXCFSA-N 1 3 357.498 2.711 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CCCC[C@H]3C)cc2)CC1 ZINC000727105698 994491163 /nfs/dbraw/zinc/49/11/63/994491163.db2.gz MMGNKTOGLQXQFZ-YLJYHZDGSA-N 1 3 358.530 2.935 20 0 FFADHO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000809975583 994655139 /nfs/dbraw/zinc/65/51/39/994655139.db2.gz ODRFTFFSRXKNII-YRNRMSPPSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000809975583 994655145 /nfs/dbraw/zinc/65/51/45/994655145.db2.gz ODRFTFFSRXKNII-YRNRMSPPSA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000809975583 994655149 /nfs/dbraw/zinc/65/51/49/994655149.db2.gz ODRFTFFSRXKNII-YRNRMSPPSA-N 1 3 369.550 2.505 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000810712015 994896839 /nfs/dbraw/zinc/89/68/39/994896839.db2.gz XFHFDNYPBLUJRA-XQBPLPMBSA-N 1 3 373.516 2.789 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000810712015 994896852 /nfs/dbraw/zinc/89/68/52/994896852.db2.gz XFHFDNYPBLUJRA-XQBPLPMBSA-N 1 3 373.516 2.789 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC001082557650 994927347 /nfs/dbraw/zinc/92/73/47/994927347.db2.gz WIZYUGXUHVAWDX-TZMCWYRMSA-N 1 3 355.935 2.822 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)sn1 ZINC001082559107 994933295 /nfs/dbraw/zinc/93/32/95/994933295.db2.gz STUDXIGMMYDAGM-UWWQBHOKSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)sn1 ZINC001082559107 994933313 /nfs/dbraw/zinc/93/33/13/994933313.db2.gz STUDXIGMMYDAGM-UWWQBHOKSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1cc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c(C)c1 ZINC001082559840 994934276 /nfs/dbraw/zinc/93/42/76/994934276.db2.gz QQZSCMBZNRMOTE-DUXKGJEZSA-N 1 3 357.542 2.889 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC001082560081 994935628 /nfs/dbraw/zinc/93/56/28/994935628.db2.gz ZACWYCKUBMUUJQ-LPTQZCDUSA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)Cc1ccccc1CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903460072 1015906280 /nfs/dbraw/zinc/90/62/80/1015906280.db2.gz WJWDFTNXXFTXCX-SFTDATJTSA-N 1 3 370.541 2.605 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2Cl)C1)N(C)C ZINC001082589129 995001023 /nfs/dbraw/zinc/00/10/23/995001023.db2.gz KCWZEQIKQINFPY-ZTFGCOKTSA-N 1 3 351.922 2.925 20 0 FFADHO Cc1cccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086695650 995143911 /nfs/dbraw/zinc/14/39/11/995143911.db2.gz ZWGZIYVMNDWCJC-NLWGTHIKSA-N 1 3 358.530 2.637 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082740702 995394727 /nfs/dbraw/zinc/39/47/27/995394727.db2.gz CUOAYNCIVZMJBZ-HBUWYVDXSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082740702 995394735 /nfs/dbraw/zinc/39/47/35/995394735.db2.gz CUOAYNCIVZMJBZ-HBUWYVDXSA-N 1 3 367.896 2.900 20 0 FFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001082741862 995398133 /nfs/dbraw/zinc/39/81/33/995398133.db2.gz GHRLRSAYLYJJAH-ZSZQSSIHSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1ncccc1CN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134481 1015945601 /nfs/dbraw/zinc/94/56/01/1015945601.db2.gz FHUXNUWFXFPISA-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1CN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134481 1015945610 /nfs/dbraw/zinc/94/56/10/1015945610.db2.gz FHUXNUWFXFPISA-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782723 995489664 /nfs/dbraw/zinc/48/96/64/995489664.db2.gz NBTQXKLAZYQSSW-AHRSYUTCSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001082835297 995614766 /nfs/dbraw/zinc/61/47/66/995614766.db2.gz RSYJONQEAFCLNA-RHSMWYFYSA-N 1 3 364.559 2.508 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001082943293 995881169 /nfs/dbraw/zinc/88/11/69/995881169.db2.gz CIJXNKAWNDJLGK-NSISKUIASA-N 1 3 359.514 2.506 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001082943542 995881589 /nfs/dbraw/zinc/88/15/89/995881589.db2.gz NLMCLVCGSVCKHS-NSISKUIASA-N 1 3 359.514 2.506 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084349490 996476590 /nfs/dbraw/zinc/47/65/90/996476590.db2.gz OEJPTLVKTMXOLJ-CEMLEFRQSA-N 1 3 367.537 2.678 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)CC1 ZINC000827248806 1016042482 /nfs/dbraw/zinc/04/24/82/1016042482.db2.gz DLMOHKOVAWKXOJ-UHFFFAOYSA-N 1 3 350.466 2.684 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc4c(c3)CNC4)cc2)CC1 ZINC000827248806 1016042490 /nfs/dbraw/zinc/04/24/90/1016042490.db2.gz DLMOHKOVAWKXOJ-UHFFFAOYSA-N 1 3 350.466 2.684 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662572 996774636 /nfs/dbraw/zinc/77/46/36/996774636.db2.gz OZHXMJIDCBIKPX-DUXKGJEZSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662572 996774641 /nfs/dbraw/zinc/77/46/41/996774641.db2.gz OZHXMJIDCBIKPX-DUXKGJEZSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)c1 ZINC001084773635 997298740 /nfs/dbraw/zinc/29/87/40/997298740.db2.gz XGZFBMYTMGQEIF-PWRODBHTSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1 ZINC001084773635 997298754 /nfs/dbraw/zinc/29/87/54/997298754.db2.gz XGZFBMYTMGQEIF-PWRODBHTSA-N 1 3 355.526 2.624 20 0 FFADHO CC[C@H](C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)N(CC)CC ZINC000844163924 997706881 /nfs/dbraw/zinc/70/68/81/997706881.db2.gz PJEKPOJNVZZPJX-CRAIPNDOSA-N 1 3 361.486 2.654 20 0 FFADHO C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903777872 1016190234 /nfs/dbraw/zinc/19/02/34/1016190234.db2.gz GUYWIMXCHIXRLB-KRWDZBQOSA-N 1 3 360.502 2.675 20 0 FFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001084940381 998215645 /nfs/dbraw/zinc/21/56/45/998215645.db2.gz ZBAMXXIUSNIIKY-KURKYZTESA-N 1 3 353.526 2.922 20 0 FFADHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001084940381 998215654 /nfs/dbraw/zinc/21/56/54/998215654.db2.gz ZBAMXXIUSNIIKY-KURKYZTESA-N 1 3 353.526 2.922 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC001085217830 999185643 /nfs/dbraw/zinc/18/56/43/999185643.db2.gz SRGICUNWUVHZKS-AQNXPRMDSA-N 1 3 358.530 2.781 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001085295500 999312510 /nfs/dbraw/zinc/31/25/10/999312510.db2.gz JMHJVZFNUMWSRP-QZTJIDSGSA-N 1 3 362.518 2.628 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC001085331305 999375252 /nfs/dbraw/zinc/37/52/52/999375252.db2.gz DOWQBEUTFMPAJI-NIKGAXFTSA-N 1 3 365.468 2.966 20 0 FFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2F)C1 ZINC001085332799 999379279 /nfs/dbraw/zinc/37/92/79/999379279.db2.gz MZSMGHCFYHPSTO-GDIGMMSISA-N 1 3 365.468 2.824 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2Cl)C1 ZINC001085422527 999496947 /nfs/dbraw/zinc/49/69/47/999496947.db2.gz WIDXCNXRMUTWDZ-ZTFGCOKTSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2Cl)C1 ZINC001085422527 999496949 /nfs/dbraw/zinc/49/69/49/999496949.db2.gz WIDXCNXRMUTWDZ-ZTFGCOKTSA-N 1 3 367.896 2.948 20 0 FFADHO COCCN(Cc1ccc(C)c(C)c1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903959665 1016333638 /nfs/dbraw/zinc/33/36/38/1016333638.db2.gz LZCLZNYUNNIERQ-FQEVSTJZSA-N 1 3 358.530 2.611 20 0 FFADHO COCCN(Cc1ccc(C)cc1C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903964477 1016338975 /nfs/dbraw/zinc/33/89/75/1016338975.db2.gz TVGKOJYDPIMODT-IBGZPJMESA-N 1 3 358.530 2.611 20 0 FFADHO CC[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2)OC ZINC001096609146 1016350153 /nfs/dbraw/zinc/35/01/53/1016350153.db2.gz KFTWMSIIOHYIIM-JYBIWHBTSA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2)OC ZINC001096609146 1016350163 /nfs/dbraw/zinc/35/01/63/1016350163.db2.gz KFTWMSIIOHYIIM-JYBIWHBTSA-N 1 3 359.514 2.508 20 0 FFADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1OCC ZINC000903980688 1016357655 /nfs/dbraw/zinc/35/76/55/1016357655.db2.gz XSSQCKDOZAIUNN-BGYRXZFFSA-N 1 3 373.541 2.885 20 0 FFADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1OCC ZINC000903980688 1016357666 /nfs/dbraw/zinc/35/76/66/1016357666.db2.gz XSSQCKDOZAIUNN-BGYRXZFFSA-N 1 3 373.541 2.885 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133797 1000024526 /nfs/dbraw/zinc/02/45/26/1000024526.db2.gz KYJAPKYRKDGPGM-MOFJNDHNSA-N 1 3 371.525 2.957 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C1)C2 ZINC001169133797 1000024528 /nfs/dbraw/zinc/02/45/28/1000024528.db2.gz KYJAPKYRKDGPGM-MOFJNDHNSA-N 1 3 371.525 2.957 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)C2 ZINC001169109426 1000025566 /nfs/dbraw/zinc/02/55/66/1000025566.db2.gz IFXHYBQSIYHMIC-CLWJZODNSA-N 1 3 363.933 2.928 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111935 1000026094 /nfs/dbraw/zinc/02/60/94/1000026094.db2.gz RDHAFYJXQAKQHY-FZKCQIBNSA-N 1 3 355.548 2.554 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111935 1000026095 /nfs/dbraw/zinc/02/60/95/1000026095.db2.gz RDHAFYJXQAKQHY-FZKCQIBNSA-N 1 3 355.548 2.554 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001169111935 1000026098 /nfs/dbraw/zinc/02/60/98/1000026098.db2.gz RDHAFYJXQAKQHY-FZKCQIBNSA-N 1 3 355.548 2.554 20 0 FFADHO CC[NH+]1CCC(N2CCC3(C[C@@H](N(C)Cc4ccco4)CO3)CC2)CC1 ZINC001169253337 1000035734 /nfs/dbraw/zinc/03/57/34/1000035734.db2.gz CBSQAPNAPAMWSY-LJQANCHMSA-N 1 3 361.530 2.819 20 0 FFADHO COc1ccc2c(CN3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cc(=O)oc2c1 ZINC000846226996 1000236263 /nfs/dbraw/zinc/23/62/63/1000236263.db2.gz GCPYPZVBULJBRG-QKYXUNIQSA-N 1 3 372.465 2.662 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001109362908 1000329780 /nfs/dbraw/zinc/32/97/80/1000329780.db2.gz JCEKHHRDNOJMNP-XWSJACJDSA-N 1 3 351.510 2.888 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001109362908 1000329783 /nfs/dbraw/zinc/32/97/83/1000329783.db2.gz JCEKHHRDNOJMNP-XWSJACJDSA-N 1 3 351.510 2.888 20 0 FFADHO COc1cccc2cc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)oc21 ZINC000769528322 1000542071 /nfs/dbraw/zinc/54/20/71/1000542071.db2.gz VDOSGMVXVHWRPM-QFBILLFUSA-N 1 3 357.498 2.899 20 0 FFADHO COc1cccc2cc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)oc21 ZINC000769528322 1000542076 /nfs/dbraw/zinc/54/20/76/1000542076.db2.gz VDOSGMVXVHWRPM-QFBILLFUSA-N 1 3 357.498 2.899 20 0 FFADHO COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001109636462 1000762146 /nfs/dbraw/zinc/76/21/46/1000762146.db2.gz FXOUIHJZFGFICX-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO COCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001109636462 1000762153 /nfs/dbraw/zinc/76/21/53/1000762153.db2.gz FXOUIHJZFGFICX-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO COCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001109636462 1000762157 /nfs/dbraw/zinc/76/21/57/1000762157.db2.gz FXOUIHJZFGFICX-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO COCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001109636462 1000762165 /nfs/dbraw/zinc/76/21/65/1000762165.db2.gz FXOUIHJZFGFICX-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO COc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109655424 1000791916 /nfs/dbraw/zinc/79/19/16/1000791916.db2.gz VHIQGLDPCLMYSQ-BEKAIBRUSA-N 1 3 359.514 2.820 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCCCC(F)(F)F)C3)CC[N@@H+]1C ZINC001147582892 1000921642 /nfs/dbraw/zinc/92/16/42/1000921642.db2.gz HWNRLSSABADMBV-HUUCEWRRSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(CCCCC(F)(F)F)C3)CC[N@H+]1C ZINC001147582892 1000921652 /nfs/dbraw/zinc/92/16/52/1000921652.db2.gz HWNRLSSABADMBV-HUUCEWRRSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@@H](F)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672117 1001023114 /nfs/dbraw/zinc/02/31/14/1001023114.db2.gz HRWNRCRQBZNGFY-HLIPFELVSA-N 1 3 353.526 2.779 20 0 FFADHO C[C@@H](F)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672117 1001023118 /nfs/dbraw/zinc/02/31/18/1001023118.db2.gz HRWNRCRQBZNGFY-HLIPFELVSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841041 1001068441 /nfs/dbraw/zinc/06/84/41/1001068441.db2.gz DSWJLIBDEZGXCF-AABGKKOBSA-N 1 3 359.514 2.508 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738401 1001185579 /nfs/dbraw/zinc/18/55/79/1001185579.db2.gz WWLYDSJGAOPPAI-XPNTWCBSSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738401 1001185584 /nfs/dbraw/zinc/18/55/84/1001185584.db2.gz WWLYDSJGAOPPAI-XPNTWCBSSA-N 1 3 369.553 2.870 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)C1CCC1 ZINC001091740660 1001186645 /nfs/dbraw/zinc/18/66/45/1001186645.db2.gz AWUABUJBFVSYPC-RNZLHUGTSA-N 1 3 367.537 2.964 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)C1CCC1 ZINC001091740660 1001186648 /nfs/dbraw/zinc/18/66/48/1001186648.db2.gz AWUABUJBFVSYPC-RNZLHUGTSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]3(C)C2)c1 ZINC001091758351 1001228460 /nfs/dbraw/zinc/22/84/60/1001228460.db2.gz AQNRMXHGUDTFNC-URVUXULASA-N 1 3 357.542 2.862 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]3(C)C2)c1 ZINC001091758351 1001228467 /nfs/dbraw/zinc/22/84/67/1001228467.db2.gz AQNRMXHGUDTFNC-URVUXULASA-N 1 3 357.542 2.862 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758650 1001229174 /nfs/dbraw/zinc/22/91/74/1001229174.db2.gz HCCHDESZOPKJRE-LMNJBCLMSA-N 1 3 361.505 2.692 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncc(C)s2)C1 ZINC001112548597 1001458377 /nfs/dbraw/zinc/45/83/77/1001458377.db2.gz HRLXLKVWKZXCEA-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nc(C)cs2)C1 ZINC001112557689 1001468196 /nfs/dbraw/zinc/46/81/96/1001468196.db2.gz SMJKLUXLTOKNSY-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nc(C)cs2)C1 ZINC001112557689 1001468197 /nfs/dbraw/zinc/46/81/97/1001468197.db2.gz SMJKLUXLTOKNSY-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787715142 1001709541 /nfs/dbraw/zinc/70/95/41/1001709541.db2.gz ACGZGPWXAJAKLN-FUHIMQAGSA-N 1 3 369.550 2.553 20 0 FFADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787715142 1001709544 /nfs/dbraw/zinc/70/95/44/1001709544.db2.gz ACGZGPWXAJAKLN-FUHIMQAGSA-N 1 3 369.550 2.553 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001087084743 1001762569 /nfs/dbraw/zinc/76/25/69/1001762569.db2.gz QNUORBJOMXJTLR-HSALFYBXSA-N 1 3 367.578 2.750 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)cc1CN1CCCCC1 ZINC000788623221 1001836379 /nfs/dbraw/zinc/83/63/79/1001836379.db2.gz KHXKQNLDNPOWQP-XGHQBKJUSA-N 1 3 362.514 2.872 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)c(F)c3)C[C@@]2(C)C1)N(C)C ZINC001091782806 1001908863 /nfs/dbraw/zinc/90/88/63/1001908863.db2.gz HEHGKBMXYZJPBR-QFUCXCTJSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)c(F)c3)C[C@@]2(C)C1)N(C)C ZINC001091782806 1001908869 /nfs/dbraw/zinc/90/88/69/1001908869.db2.gz HEHGKBMXYZJPBR-QFUCXCTJSA-N 1 3 361.505 2.755 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091783205 1001910009 /nfs/dbraw/zinc/91/00/09/1001910009.db2.gz VYCODWVRVGVFCC-XPNTWCBSSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@]2(C)C1 ZINC001091783205 1001910019 /nfs/dbraw/zinc/91/00/19/1001910019.db2.gz VYCODWVRVGVFCC-XPNTWCBSSA-N 1 3 371.569 2.912 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC001092071081 1002365929 /nfs/dbraw/zinc/36/59/29/1002365929.db2.gz FVBNNCNXDFDREY-QFZOCGTJSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092300490 1002629964 /nfs/dbraw/zinc/62/99/64/1002629964.db2.gz XKRFBUKRVYBUEW-LQWHRVPQSA-N 1 3 361.505 2.890 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001092302237 1002632368 /nfs/dbraw/zinc/63/23/68/1002632368.db2.gz UVDKUOQFPDETPM-GIWBLDEGSA-N 1 3 369.553 2.884 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001092302237 1002632375 /nfs/dbraw/zinc/63/23/75/1002632375.db2.gz UVDKUOQFPDETPM-GIWBLDEGSA-N 1 3 369.553 2.884 20 0 FFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001186496559 1003327928 /nfs/dbraw/zinc/32/79/28/1003327928.db2.gz LFKLTCOEKYZFNF-AOIWGVFYSA-N 1 3 365.468 2.568 20 0 FFADHO CCN1CCN(c2ccc(Nc3cnn(CCC[NH+](C)C)c3)cc2)CC1 ZINC001186996607 1003525499 /nfs/dbraw/zinc/52/54/99/1003525499.db2.gz GITBAUKBRYHQKP-UHFFFAOYSA-N 1 3 356.518 2.720 20 0 FFADHO CNC(=O)C1([NH2+]CCCN2CCC(Cc3ccccc3)CC2)CCCC1 ZINC001192023029 1004031489 /nfs/dbraw/zinc/03/14/89/1004031489.db2.gz VTNNWHNDORLQGP-UHFFFAOYSA-N 1 3 357.542 2.980 20 0 FFADHO CC(C)Oc1ccc(C(=O)N(CCCC[NH3+])C(=N)N)cc1C(F)(F)F ZINC001193727992 1004555480 /nfs/dbraw/zinc/55/54/80/1004555480.db2.gz MXIXJLCKESNWFI-UHFFFAOYSA-N 1 3 360.380 2.567 20 0 FFADHO Nc1cc(Cl)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170524161 1004588511 /nfs/dbraw/zinc/58/85/11/1004588511.db2.gz GEMIVWOVCJEEBD-UHFFFAOYSA-N 1 3 370.888 2.622 20 0 FFADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997922 1004868308 /nfs/dbraw/zinc/86/83/08/1004868308.db2.gz UUVDUZZCHHUQLR-SBUVDCAVSA-N 1 3 365.562 2.549 20 0 FFADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997922 1004868312 /nfs/dbraw/zinc/86/83/12/1004868312.db2.gz UUVDUZZCHHUQLR-SBUVDCAVSA-N 1 3 365.562 2.549 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001097063607 1016962635 /nfs/dbraw/zinc/96/26/35/1016962635.db2.gz NNWAQNHKHSJAGY-WCXIOVBPSA-N 1 3 355.473 2.626 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001097063607 1016962645 /nfs/dbraw/zinc/96/26/45/1016962645.db2.gz NNWAQNHKHSJAGY-WCXIOVBPSA-N 1 3 355.473 2.626 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccc(OC)cc1 ZINC001489128990 1005416229 /nfs/dbraw/zinc/41/62/29/1005416229.db2.gz SSACCKXTEDVKQC-RBUKOAKNSA-N 1 3 359.514 2.506 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000850759320 1005836848 /nfs/dbraw/zinc/83/68/48/1005836848.db2.gz OFQBIKPNFSDFOG-GOSISDBHSA-N 1 3 360.502 2.732 20 0 FFADHO COc1ccnc(N(C(=O)c2ccc(CN(C)C)cc2)C2CC[NH2+]CC2)c1 ZINC001187293810 1006003371 /nfs/dbraw/zinc/00/33/71/1006003371.db2.gz UHQWFVZQDWETIT-UHFFFAOYSA-N 1 3 368.481 2.551 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000852753871 1006168089 /nfs/dbraw/zinc/16/80/89/1006168089.db2.gz JUHDDISKPGGFOR-LJQANCHMSA-N 1 3 370.541 2.937 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2cnccc2C)CC3)CC[N@@H+]1C ZINC001050524126 1017040534 /nfs/dbraw/zinc/04/05/34/1017040534.db2.gz UCYUVWOBKHXPFP-VQTJNVASSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2cnccc2C)CC3)CC[N@H+]1C ZINC001050524126 1017040546 /nfs/dbraw/zinc/04/05/46/1017040546.db2.gz UCYUVWOBKHXPFP-VQTJNVASSA-N 1 3 370.541 2.545 20 0 FFADHO OC1(CCNCc2ccnn2CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000883342216 1006758349 /nfs/dbraw/zinc/75/83/49/1006758349.db2.gz OUBBGHCDSZEWIO-UHFFFAOYSA-N 1 3 368.525 2.800 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2)CC1 ZINC000854314359 1006774396 /nfs/dbraw/zinc/77/43/96/1006774396.db2.gz MYQXEZLLBXMCMX-GOSISDBHSA-N 1 3 373.545 2.823 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC000854314359 1006774410 /nfs/dbraw/zinc/77/44/10/1006774410.db2.gz MYQXEZLLBXMCMX-GOSISDBHSA-N 1 3 373.545 2.823 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]21)N(CC)CC ZINC001189110261 1006886794 /nfs/dbraw/zinc/88/67/94/1006886794.db2.gz ORYOJSWHRGKCQO-YESZJQIVSA-N 1 3 357.489 2.685 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21)N(CC)CC ZINC001189110261 1006886807 /nfs/dbraw/zinc/88/68/07/1006886807.db2.gz ORYOJSWHRGKCQO-YESZJQIVSA-N 1 3 357.489 2.685 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)c3ccc(F)cc3C)CC2)CC1 ZINC000817286984 1007509420 /nfs/dbraw/zinc/50/94/20/1007509420.db2.gz YVNLUUAMNOCMKS-OAQYLSRUSA-N 1 3 363.521 2.660 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)c3ccc(F)cc3C)CC2)CC1 ZINC000817286984 1007509430 /nfs/dbraw/zinc/50/94/30/1007509430.db2.gz YVNLUUAMNOCMKS-OAQYLSRUSA-N 1 3 363.521 2.660 20 0 FFADHO Cc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001170863737 1007574041 /nfs/dbraw/zinc/57/40/41/1007574041.db2.gz YDHJZKOOVVCMEV-FRFSOERESA-N 1 3 366.575 2.865 20 0 FFADHO Cc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C ZINC001170863737 1007574055 /nfs/dbraw/zinc/57/40/55/1007574055.db2.gz YDHJZKOOVVCMEV-FRFSOERESA-N 1 3 366.575 2.865 20 0 FFADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000856411687 1007811816 /nfs/dbraw/zinc/81/18/16/1007811816.db2.gz XQFRGLUIQYWQAV-HXUWFJFHSA-N 1 3 373.541 2.506 20 0 FFADHO CC[C@H](NCc1ccc(CC[NH3+])cc1)c1ccccc1OCC(=O)N(C)C ZINC000817948426 1007822767 /nfs/dbraw/zinc/82/27/67/1007822767.db2.gz JQXYVWZREMFYEE-FQEVSTJZSA-N 1 3 369.509 2.896 20 0 FFADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819059457 1008022283 /nfs/dbraw/zinc/02/22/83/1008022283.db2.gz CBWRJADVJGCGPE-ZWKOTPCHSA-N 1 3 372.431 2.972 20 0 FFADHO c1n[nH]c2c1CCC[C@H]2[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000857847240 1008223447 /nfs/dbraw/zinc/22/34/47/1008223447.db2.gz LATCBQFDYJUQHU-HXUWFJFHSA-N 1 3 353.514 2.585 20 0 FFADHO CC[C@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2)OC ZINC001110750667 1008384806 /nfs/dbraw/zinc/38/48/06/1008384806.db2.gz VXQHUCFFZQKRIZ-MKXGPGLRSA-N 1 3 365.562 2.786 20 0 FFADHO CC[C@H](CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2)OC ZINC001110750667 1008384810 /nfs/dbraw/zinc/38/48/10/1008384810.db2.gz VXQHUCFFZQKRIZ-MKXGPGLRSA-N 1 3 365.562 2.786 20 0 FFADHO CN(CCn1cnc2ccccc2c1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212521 1008487673 /nfs/dbraw/zinc/48/76/73/1008487673.db2.gz OMVDXFWSCWUVNJ-UHFFFAOYSA-N 1 3 350.466 2.590 20 0 FFADHO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CN1CCOCC1 ZINC000886530247 1008720969 /nfs/dbraw/zinc/72/09/69/1008720969.db2.gz GZPWSABOMLVGKW-ZDFPQIBNSA-N 1 3 357.542 2.597 20 0 FFADHO Cc1cn(C)nc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001177981496 1008830234 /nfs/dbraw/zinc/83/02/34/1008830234.db2.gz MUQNBAYMMUCGRA-UHFFFAOYSA-N 1 3 356.514 2.889 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001178171676 1008912024 /nfs/dbraw/zinc/91/20/24/1008912024.db2.gz TVWSGMMRMSZKTI-RBUKOAKNSA-N 1 3 358.461 2.683 20 0 FFADHO Cc1ncc(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)n1C ZINC001212835791 1009453131 /nfs/dbraw/zinc/45/31/31/1009453131.db2.gz AVCNRKDRQMBWIS-UHFFFAOYSA-N 1 3 372.473 2.924 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)N1CCCC1 ZINC001180583358 1009759809 /nfs/dbraw/zinc/75/98/09/1009759809.db2.gz PGXGGGFDAHYLHV-NRSPTQNISA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)N1CCCC1 ZINC001180583358 1009759821 /nfs/dbraw/zinc/75/98/21/1009759821.db2.gz PGXGGGFDAHYLHV-NRSPTQNISA-N 1 3 355.526 2.841 20 0 FFADHO Cc1ncc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1C ZINC001206792804 1032430901 /nfs/dbraw/zinc/43/09/01/1032430901.db2.gz MEEAZNKZTPCHQT-HXUWFJFHSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1ncc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1C ZINC001206792804 1032430906 /nfs/dbraw/zinc/43/09/06/1032430906.db2.gz MEEAZNKZTPCHQT-HXUWFJFHSA-N 1 3 368.525 2.984 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000862402815 1009830086 /nfs/dbraw/zinc/83/00/86/1009830086.db2.gz KHVBHMWEJRQHLV-HXUWFJFHSA-N 1 3 374.573 2.988 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000862402815 1009830105 /nfs/dbraw/zinc/83/01/05/1009830105.db2.gz KHVBHMWEJRQHLV-HXUWFJFHSA-N 1 3 374.573 2.988 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)N1CCOC[C@H]1C[NH+](C)C)c1ccccc1 ZINC001182232276 1010442478 /nfs/dbraw/zinc/44/24/78/1010442478.db2.gz BUNIJXNDQXOVJV-WOJBJXKFSA-N 1 3 361.530 2.639 20 0 FFADHO c1ncn(-c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)n1 ZINC000774122589 1010480767 /nfs/dbraw/zinc/48/07/67/1010480767.db2.gz KCRPUZSLCWTRTD-WKCHPHFGSA-N 1 3 374.492 2.948 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]Cc1ccccn1 ZINC001093770571 1010542587 /nfs/dbraw/zinc/54/25/87/1010542587.db2.gz XMCPOBRDNXXFKI-QZTJIDSGSA-N 1 3 358.530 2.530 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNCc2csc(C)n2)[C@H](C)C1 ZINC001093808650 1010583687 /nfs/dbraw/zinc/58/36/87/1010583687.db2.gz VLFXBAMXHVGRON-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNCc2csc(C)n2)[C@H](C)C1 ZINC001093808650 1010583697 /nfs/dbraw/zinc/58/36/97/1010583697.db2.gz VLFXBAMXHVGRON-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093822447 1010594080 /nfs/dbraw/zinc/59/40/80/1010594080.db2.gz RDQUMVJXXZIUEX-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO COc1cc(C)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000865063273 1010700931 /nfs/dbraw/zinc/70/09/31/1010700931.db2.gz CLQPCGRMJIFJMF-UHFFFAOYSA-N 1 3 359.514 2.600 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1F ZINC001094020498 1010786090 /nfs/dbraw/zinc/78/60/90/1010786090.db2.gz GCJIGPPEVNBGMZ-YVWKXTFCSA-N 1 3 363.521 2.904 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H](C)O1 ZINC000865470830 1010793303 /nfs/dbraw/zinc/79/33/03/1010793303.db2.gz GTRSKRDFGTUWCV-KDURUIRLSA-N 1 3 373.541 2.902 20 0 FFADHO Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C)o1 ZINC001094238381 1010982262 /nfs/dbraw/zinc/98/22/62/1010982262.db2.gz MONLAAOJDAEUKO-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC001094241568 1010984919 /nfs/dbraw/zinc/98/49/19/1010984919.db2.gz OZKLMTHAVCEDJL-OIISXLGYSA-N 1 3 357.489 2.590 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000866667036 1011034483 /nfs/dbraw/zinc/03/44/83/1011034483.db2.gz ZAYJOCYBIFNHMJ-NJYVYQBISA-N 1 3 373.541 2.955 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF)[NH+]1CCCC1 ZINC001110161401 1011322861 /nfs/dbraw/zinc/32/28/61/1011322861.db2.gz DDOCJFBTBVCLIS-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)N1CCCC1 ZINC001110161401 1011322876 /nfs/dbraw/zinc/32/28/76/1011322876.db2.gz DDOCJFBTBVCLIS-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)N1CCCC1 ZINC001110161401 1011322889 /nfs/dbraw/zinc/32/28/89/1011322889.db2.gz DDOCJFBTBVCLIS-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171511069 1011363203 /nfs/dbraw/zinc/36/32/03/1011363203.db2.gz FYPJGVUCKDRZKL-HNNXBMFYSA-N 1 3 355.448 2.577 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001274397647 1011421062 /nfs/dbraw/zinc/42/10/62/1011421062.db2.gz SHHHMHROXIGXJD-HNNXBMFYSA-N 1 3 361.452 2.594 20 0 FFADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001274397647 1011421067 /nfs/dbraw/zinc/42/10/67/1011421067.db2.gz SHHHMHROXIGXJD-HNNXBMFYSA-N 1 3 361.452 2.594 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274409092 1011427925 /nfs/dbraw/zinc/42/79/25/1011427925.db2.gz RYNAPXJVTHDFGA-FPOVZHCZSA-N 1 3 358.530 2.704 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274409092 1011427933 /nfs/dbraw/zinc/42/79/33/1011427933.db2.gz RYNAPXJVTHDFGA-FPOVZHCZSA-N 1 3 358.530 2.704 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274409817 1011429747 /nfs/dbraw/zinc/42/97/47/1011429747.db2.gz XOYCBQQAVVYEHS-NSHGMRRFSA-N 1 3 358.530 2.560 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274409817 1011429754 /nfs/dbraw/zinc/42/97/54/1011429754.db2.gz XOYCBQQAVVYEHS-NSHGMRRFSA-N 1 3 358.530 2.560 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001274421638 1011433762 /nfs/dbraw/zinc/43/37/62/1011433762.db2.gz OFZQMWIKODRKBQ-OAQYLSRUSA-N 1 3 358.530 2.705 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000645473797 1011496678 /nfs/dbraw/zinc/49/66/78/1011496678.db2.gz YXZWTCAGQJXBAR-QFIPXVFZSA-N 1 3 363.505 2.916 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001171930677 1011546539 /nfs/dbraw/zinc/54/65/39/1011546539.db2.gz SALMVBIVBKBTNL-UHFFFAOYSA-N 1 3 365.562 2.600 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC001274638156 1011550196 /nfs/dbraw/zinc/55/01/96/1011550196.db2.gz LBCLPLLSXBXLGR-WDSOQIARSA-N 1 3 361.917 2.857 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC001274638156 1011550205 /nfs/dbraw/zinc/55/02/05/1011550205.db2.gz LBCLPLLSXBXLGR-WDSOQIARSA-N 1 3 361.917 2.857 20 0 FFADHO C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCN(Cc4cccc(Cl)c4)C3)C2)C1 ZINC001274638853 1011552269 /nfs/dbraw/zinc/55/22/69/1011552269.db2.gz UKFJNHPUVCYNJP-KRWDZBQOSA-N 1 3 361.917 2.716 20 0 FFADHO C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCN(Cc4cccc(Cl)c4)C3)C2)C1 ZINC001274638853 1011552277 /nfs/dbraw/zinc/55/22/77/1011552277.db2.gz UKFJNHPUVCYNJP-KRWDZBQOSA-N 1 3 361.917 2.716 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001172117830 1011651030 /nfs/dbraw/zinc/65/10/30/1011651030.db2.gz NJVCNXRMNARYLK-YVSFHVDLSA-N 1 3 369.575 2.944 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001172117830 1011651038 /nfs/dbraw/zinc/65/10/38/1011651038.db2.gz NJVCNXRMNARYLK-YVSFHVDLSA-N 1 3 369.575 2.944 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)C2 ZINC001172117020 1011651542 /nfs/dbraw/zinc/65/15/42/1011651542.db2.gz NNVGHTBJLFGQCV-MOFJNDHNSA-N 1 3 373.516 2.978 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)C2 ZINC001172117020 1011651550 /nfs/dbraw/zinc/65/15/50/1011651550.db2.gz NNVGHTBJLFGQCV-MOFJNDHNSA-N 1 3 373.516 2.978 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]31)C2 ZINC001172121136 1011656640 /nfs/dbraw/zinc/65/66/40/1011656640.db2.gz HZPNSVVSXITKIM-GFEQUFNTSA-N 1 3 357.498 2.831 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]31)C2 ZINC001172121136 1011656644 /nfs/dbraw/zinc/65/66/44/1011656644.db2.gz HZPNSVVSXITKIM-GFEQUFNTSA-N 1 3 357.498 2.831 20 0 FFADHO C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)C2)C1 ZINC001274820910 1011685506 /nfs/dbraw/zinc/68/55/06/1011685506.db2.gz ZXUFYOBASPIKLL-QGZVFWFLSA-N 1 3 361.917 2.716 20 0 FFADHO C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)C2)C1 ZINC001274820910 1011685513 /nfs/dbraw/zinc/68/55/13/1011685513.db2.gz ZXUFYOBASPIKLL-QGZVFWFLSA-N 1 3 361.917 2.716 20 0 FFADHO COCCCN1CCC([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001172244544 1011717113 /nfs/dbraw/zinc/71/71/13/1011717113.db2.gz UWFTVIIBMXYMKC-NRFANRHFSA-N 1 3 359.558 2.989 20 0 FFADHO COCCC[NH+]1CCC(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001172253263 1011727202 /nfs/dbraw/zinc/72/72/02/1011727202.db2.gz ISVZVNUZXSVVQG-KRWDZBQOSA-N 1 3 369.550 2.676 20 0 FFADHO COCCC[NH+]1CCC(N(CCNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001172253618 1011727438 /nfs/dbraw/zinc/72/74/38/1011727438.db2.gz XOISYCPXMUJYBG-UHFFFAOYSA-N 1 3 357.539 2.722 20 0 FFADHO COCCC[NH+]1CCC(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001172253264 1011728673 /nfs/dbraw/zinc/72/86/73/1011728673.db2.gz ISVZVNUZXSVVQG-QGZVFWFLSA-N 1 3 369.550 2.676 20 0 FFADHO NC(=O)C1CC[NH+](C2CCN([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172569354 1011866877 /nfs/dbraw/zinc/86/68/77/1011866877.db2.gz SMNLSXIPZCIAMC-TZIWHRDSSA-N 1 3 355.526 2.984 20 0 FFADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275069455 1011882652 /nfs/dbraw/zinc/88/26/52/1011882652.db2.gz QDZVBILJZNKVMH-RCZSKKKRSA-N 1 3 357.542 2.912 20 0 FFADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275069455 1011882664 /nfs/dbraw/zinc/88/26/64/1011882664.db2.gz QDZVBILJZNKVMH-RCZSKKKRSA-N 1 3 357.542 2.912 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646379113 1011890951 /nfs/dbraw/zinc/89/09/51/1011890951.db2.gz MLKRURCIPGSQGX-QHAWAJNXSA-N 1 3 370.541 2.532 20 0 FFADHO [NH3+]C1CCC(OCC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000646408839 1011911894 /nfs/dbraw/zinc/91/18/94/1011911894.db2.gz MUJCNAMLKHMBAT-SOAGJPPSSA-N 1 3 359.514 2.616 20 0 FFADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275123319 1011965236 /nfs/dbraw/zinc/96/52/36/1011965236.db2.gz DMEQXSDENHMSKQ-PZJWPPBQSA-N 1 3 365.562 2.624 20 0 FFADHO CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275123319 1011965249 /nfs/dbraw/zinc/96/52/49/1011965249.db2.gz DMEQXSDENHMSKQ-PZJWPPBQSA-N 1 3 365.562 2.624 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172714354 1011991143 /nfs/dbraw/zinc/99/11/43/1011991143.db2.gz XFHLQTFERGCHAP-HOTGVXAUSA-N 1 3 353.894 2.987 20 0 FFADHO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172955287 1012160705 /nfs/dbraw/zinc/16/07/05/1012160705.db2.gz QKYAVKAYIOPGLA-BZSNNMDCSA-N 1 3 369.550 2.865 20 0 FFADHO COc1ncncc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000647189926 1012403432 /nfs/dbraw/zinc/40/34/32/1012403432.db2.gz ZCWBMSVRFKXGIQ-UHFFFAOYSA-N 1 3 370.497 2.646 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647351254 1012447831 /nfs/dbraw/zinc/44/78/31/1012447831.db2.gz RNYIPKMTDFNUMV-UKPHBRMFSA-N 1 3 371.447 2.682 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647351254 1012447844 /nfs/dbraw/zinc/44/78/44/1012447844.db2.gz RNYIPKMTDFNUMV-UKPHBRMFSA-N 1 3 371.447 2.682 20 0 FFADHO OC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000796382850 1012543822 /nfs/dbraw/zinc/54/38/22/1012543822.db2.gz JEUBAGPTHKLBLF-OAQYLSRUSA-N 1 3 357.542 2.574 20 0 FFADHO OC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000796382850 1012543833 /nfs/dbraw/zinc/54/38/33/1012543833.db2.gz JEUBAGPTHKLBLF-OAQYLSRUSA-N 1 3 357.542 2.574 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975483 1012651083 /nfs/dbraw/zinc/65/10/83/1012651083.db2.gz AXHVZPUSQDGNON-DOADOZAASA-N 1 3 371.525 2.727 20 0 FFADHO CCOCc1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977639 1012654056 /nfs/dbraw/zinc/65/40/56/1012654056.db2.gz FOLPHISDNCYYCF-RTWAWAEBSA-N 1 3 373.541 2.551 20 0 FFADHO COc1ccccc1N1CC[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977956 1012655482 /nfs/dbraw/zinc/65/54/82/1012655482.db2.gz KDWXDKRBPHUAPB-AOIWGVFYSA-N 1 3 357.498 2.512 20 0 FFADHO Cc1ccccc1-n1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cn1 ZINC000648034899 1012671846 /nfs/dbraw/zinc/67/18/46/1012671846.db2.gz KHWOKIKHVKTLIH-UHFFFAOYSA-N 1 3 355.530 2.639 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)[C@@H]3CCCCO3)CC2)CC1 ZINC000871171056 1012764901 /nfs/dbraw/zinc/76/49/01/1012764901.db2.gz XKRXBSQUGQNEOQ-IBGZPJMESA-N 1 3 365.562 2.647 20 0 FFADHO C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC1(C)C ZINC001222025212 1032665154 /nfs/dbraw/zinc/66/51/54/1032665154.db2.gz HOYLMURBSJXPKJ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO C[N@H+]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC1(C)C ZINC001222025212 1032665158 /nfs/dbraw/zinc/66/51/58/1032665158.db2.gz HOYLMURBSJXPKJ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO COC(=O)c1ccc(C[C@H](C)N2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001173735804 1012927558 /nfs/dbraw/zinc/92/75/58/1012927558.db2.gz TWOWRYOGRRPOGK-KRWDZBQOSA-N 1 3 353.466 2.930 20 0 FFADHO Fc1ccccc1CN1CCC(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173739443 1012931671 /nfs/dbraw/zinc/93/16/71/1012931671.db2.gz GRWLGJMZHRKHJQ-MOPGFXCFSA-N 1 3 372.492 2.798 20 0 FFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCc3ccc(F)cc3)CC2)C1=O ZINC001275753169 1012965282 /nfs/dbraw/zinc/96/52/82/1012965282.db2.gz NXWFSMDLQDCAFK-NRFANRHFSA-N 1 3 361.505 2.634 20 0 FFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCc3ccc(F)cc3)CC2)C1=O ZINC001275753169 1012965290 /nfs/dbraw/zinc/96/52/90/1012965290.db2.gz NXWFSMDLQDCAFK-NRFANRHFSA-N 1 3 361.505 2.634 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](CCCCc3ccccc3)CC2)C1=O ZINC001275763320 1012976716 /nfs/dbraw/zinc/97/67/16/1012976716.db2.gz CDSSFIUGZSGBLP-UHFFFAOYSA-N 1 3 357.542 2.885 20 0 FFADHO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN(Cc3ccccc3F)C1)CC2 ZINC001275777526 1012995131 /nfs/dbraw/zinc/99/51/31/1012995131.db2.gz RPPSBBYLKAKMQN-GOSISDBHSA-N 1 3 359.489 2.592 20 0 FFADHO COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001097343719 1017377546 /nfs/dbraw/zinc/37/75/46/1017377546.db2.gz XXZBTGITRSFFOL-YSTOQKLRSA-N 1 3 371.525 2.709 20 0 FFADHO COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001097343719 1017377550 /nfs/dbraw/zinc/37/75/50/1017377550.db2.gz XXZBTGITRSFFOL-YSTOQKLRSA-N 1 3 371.525 2.709 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001097406023 1017466026 /nfs/dbraw/zinc/46/60/26/1017466026.db2.gz UGCRRJOYPYODGK-ZJPYXAASSA-N 1 3 369.500 2.874 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001097406023 1017466033 /nfs/dbraw/zinc/46/60/33/1017466033.db2.gz UGCRRJOYPYODGK-ZJPYXAASSA-N 1 3 369.500 2.874 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCC(F)(F)C1)C12CCC[NH+]1CCC2 ZINC001097430014 1017480785 /nfs/dbraw/zinc/48/07/85/1017480785.db2.gz DJFAQJXBAOLTKY-VQHPVUNQSA-N 1 3 367.484 2.772 20 0 FFADHO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCCN[C@@H]4C3(C)C)C2)c1 ZINC000925552112 1017783168 /nfs/dbraw/zinc/78/31/68/1017783168.db2.gz IYYMPZJAYWKMEA-ZFCZOSEKSA-N 1 3 373.541 2.896 20 0 FFADHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925561401 1017787329 /nfs/dbraw/zinc/78/73/29/1017787329.db2.gz BKHXDRALVSGBNU-ZVZYQTTQSA-N 1 3 359.514 2.901 20 0 FFADHO Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCCN1C ZINC000925666358 1017813160 /nfs/dbraw/zinc/81/31/60/1017813160.db2.gz RXNRSGHVSBCNQQ-CTAFRAEOSA-N 1 3 359.562 2.561 20 0 FFADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000925720421 1017823275 /nfs/dbraw/zinc/82/32/75/1017823275.db2.gz HKHXOEOOLPXPJY-BSDSXHPESA-N 1 3 360.502 2.925 20 0 FFADHO C(N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000925720421 1017823295 /nfs/dbraw/zinc/82/32/95/1017823295.db2.gz HKHXOEOOLPXPJY-BSDSXHPESA-N 1 3 360.502 2.925 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H](C)c3cccc4c3OCO4)C2)[C@H]1C(C)C ZINC000926877167 1018278295 /nfs/dbraw/zinc/27/82/95/1018278295.db2.gz AITDSDYZGAQLFB-KSDRABAPSA-N 1 3 360.498 2.936 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H](C)c3cccc4c3OCO4)C2)[C@H]1C(C)C ZINC000926877167 1018278310 /nfs/dbraw/zinc/27/83/10/1018278310.db2.gz AITDSDYZGAQLFB-KSDRABAPSA-N 1 3 360.498 2.936 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccnn1CC1CCC1)C2 ZINC000926877177 1018278724 /nfs/dbraw/zinc/27/87/24/1018278724.db2.gz AKHAPQIRZVQGHY-RDWZXKLLSA-N 1 3 360.546 2.814 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccnn1CC1CCC1)C2 ZINC000926877177 1018278733 /nfs/dbraw/zinc/27/87/33/1018278733.db2.gz AKHAPQIRZVQGHY-RDWZXKLLSA-N 1 3 360.546 2.814 20 0 FFADHO Clc1ccc(-c2cccc(CN3CCNC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001222104797 1032761727 /nfs/dbraw/zinc/76/17/27/1032761727.db2.gz LEJKQSUGRIOTBW-UHFFFAOYSA-N 1 3 356.901 2.929 20 0 FFADHO CN1CCN(c2ccc(CN3CCCC[C@]4(CCCC[NH2+]C4)C3)cn2)CC1 ZINC001222166635 1032800791 /nfs/dbraw/zinc/80/07/91/1032800791.db2.gz AOUPDHLZYSWKRO-QFIPXVFZSA-N 1 3 371.573 2.579 20 0 FFADHO C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)o2)CC[C@H]1N1CCN(C)CC1 ZINC000930137412 1019887046 /nfs/dbraw/zinc/88/70/46/1019887046.db2.gz SYCQLJAEMDSVRW-FXAWDEMLSA-N 1 3 354.498 2.799 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)CC[C@H]1N1CCN(C)CC1 ZINC000930137412 1019887064 /nfs/dbraw/zinc/88/70/64/1019887064.db2.gz SYCQLJAEMDSVRW-FXAWDEMLSA-N 1 3 354.498 2.799 20 0 FFADHO OCCOC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCC(C(F)F)CC1 ZINC000902429860 1020195974 /nfs/dbraw/zinc/19/59/74/1020195974.db2.gz AHDSJGCPIDHZGT-SFANZJOMSA-N 1 3 374.516 2.947 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902751780 1020450778 /nfs/dbraw/zinc/45/07/78/1020450778.db2.gz ZTDKNGZGJZVFSM-LHGONGGSSA-N 1 3 369.553 2.727 20 0 FFADHO C[C@@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902894725 1020552761 /nfs/dbraw/zinc/55/27/61/1020552761.db2.gz OFUUIEWHYPZHLD-FGTMMUONSA-N 1 3 371.529 2.675 20 0 FFADHO C[C@@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902894725 1020552764 /nfs/dbraw/zinc/55/27/64/1020552764.db2.gz OFUUIEWHYPZHLD-FGTMMUONSA-N 1 3 371.529 2.675 20 0 FFADHO COc1ccc(C[C@](C)(O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000903171964 1020722887 /nfs/dbraw/zinc/72/28/87/1020722887.db2.gz KZMYGUWHPGZVFB-DTFZGZDNSA-N 1 3 374.525 2.745 20 0 FFADHO COc1ccc(C[C@](C)(O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903171964 1020722896 /nfs/dbraw/zinc/72/28/96/1020722896.db2.gz KZMYGUWHPGZVFB-DTFZGZDNSA-N 1 3 374.525 2.745 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)C1 ZINC001098217840 1020739589 /nfs/dbraw/zinc/73/95/89/1020739589.db2.gz LQNPCJPZJWNMAX-NMLBUPMWSA-N 1 3 359.489 2.719 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)C1 ZINC001098217840 1020739599 /nfs/dbraw/zinc/73/95/99/1020739599.db2.gz LQNPCJPZJWNMAX-NMLBUPMWSA-N 1 3 359.489 2.719 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@@H]2CCOC2)c1 ZINC001098459289 1020925715 /nfs/dbraw/zinc/92/57/15/1020925715.db2.gz HDWQEBQJTQPPRH-OTNPHJDUSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@@H]2CCOC2)c1 ZINC001098459289 1020925721 /nfs/dbraw/zinc/92/57/21/1020925721.db2.gz HDWQEBQJTQPPRH-OTNPHJDUSA-N 1 3 371.525 2.510 20 0 FFADHO CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1O2 ZINC001098539165 1020993214 /nfs/dbraw/zinc/99/32/14/1020993214.db2.gz ZMJJRZTVKPOKIK-IEBWSBKVSA-N 1 3 371.525 2.602 20 0 FFADHO CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1O2 ZINC001098539165 1020993220 /nfs/dbraw/zinc/99/32/20/1020993220.db2.gz ZMJJRZTVKPOKIK-IEBWSBKVSA-N 1 3 371.525 2.602 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000749825551 1021046086 /nfs/dbraw/zinc/04/60/86/1021046086.db2.gz HASJKPPGTCBUFU-VQTJNVASSA-N 1 3 374.598 2.988 20 0 FFADHO CC(C)[C@@H]1C[C@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000933627987 1021053602 /nfs/dbraw/zinc/05/36/02/1021053602.db2.gz MRFOYYMGOLAHQM-MOPGFXCFSA-N 1 3 365.562 2.504 20 0 FFADHO Fc1ccc(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)cn1 ZINC001137740190 1032981802 /nfs/dbraw/zinc/98/18/02/1032981802.db2.gz XPAYNTNBBFIURX-UHFFFAOYSA-N 1 3 370.472 2.730 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218101467 1032993014 /nfs/dbraw/zinc/99/30/14/1032993014.db2.gz QFBYXTKZWUPMJP-WKOLEINNSA-N 1 3 363.546 2.517 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218101467 1032993023 /nfs/dbraw/zinc/99/30/23/1032993023.db2.gz QFBYXTKZWUPMJP-WKOLEINNSA-N 1 3 363.546 2.517 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(Cc2cccc(F)c2)C3)C1 ZINC001099118772 1021850790 /nfs/dbraw/zinc/85/07/90/1021850790.db2.gz BCNSMCCCBKTVSW-LQWHRVPQSA-N 1 3 359.489 2.638 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(Cc2cccc(F)c2)C3)C1 ZINC001099118772 1021850804 /nfs/dbraw/zinc/85/08/04/1021850804.db2.gz BCNSMCCCBKTVSW-LQWHRVPQSA-N 1 3 359.489 2.638 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001099159717 1021962973 /nfs/dbraw/zinc/96/29/73/1021962973.db2.gz JKAQWKYFEULSOW-LQWHRVPQSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC001099159717 1021962977 /nfs/dbraw/zinc/96/29/77/1021962977.db2.gz JKAQWKYFEULSOW-LQWHRVPQSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001099160529 1021965908 /nfs/dbraw/zinc/96/59/08/1021965908.db2.gz RBBVVRKQUJJXEF-MDKPJZGXSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001099160529 1021965918 /nfs/dbraw/zinc/96/59/18/1021965918.db2.gz RBBVVRKQUJJXEF-MDKPJZGXSA-N 1 3 359.489 2.557 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cc4ccccc4o2)C3)C1 ZINC001099161113 1021966449 /nfs/dbraw/zinc/96/64/49/1021966449.db2.gz YJZVKATUGSNJQI-FGSXEWAUSA-N 1 3 367.493 2.855 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cc4ccccc4o2)C3)C1 ZINC001099161113 1021966459 /nfs/dbraw/zinc/96/64/59/1021966459.db2.gz YJZVKATUGSNJQI-FGSXEWAUSA-N 1 3 367.493 2.855 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118025389 1022026819 /nfs/dbraw/zinc/02/68/19/1022026819.db2.gz NQDKSJOSWHRUSL-FQEVSTJZSA-N 1 3 370.541 2.999 20 0 FFADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118197783 1022112652 /nfs/dbraw/zinc/11/26/52/1022112652.db2.gz CBRSINOSKRYUCZ-KRWDZBQOSA-N 1 3 368.525 2.681 20 0 FFADHO CC(C)OCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218616 1022456886 /nfs/dbraw/zinc/45/68/86/1022456886.db2.gz PTZAWZBTKLDEJJ-AQNXPRMDSA-N 1 3 365.562 2.643 20 0 FFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1)C1CCC1 ZINC001099447222 1022541033 /nfs/dbraw/zinc/54/10/33/1022541033.db2.gz ZZLKRTPHMKGPKD-LPHOPBHVSA-N 1 3 369.500 2.734 20 0 FFADHO Cc1ncccc1CN1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040208988 1022802888 /nfs/dbraw/zinc/80/28/88/1022802888.db2.gz DUSFKTNIVJBCOS-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1CN1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040208988 1022802901 /nfs/dbraw/zinc/80/29/01/1022802901.db2.gz DUSFKTNIVJBCOS-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(Cc2ccccn2)CC3)CC[N@@H+]1C ZINC001040705758 1022955520 /nfs/dbraw/zinc/95/55/20/1022955520.db2.gz JQGZUFCSXWKUHH-VQTJNVASSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(Cc2ccccn2)CC3)CC[N@H+]1C ZINC001040705758 1022955522 /nfs/dbraw/zinc/95/55/22/1022955522.db2.gz JQGZUFCSXWKUHH-VQTJNVASSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000948381047 1023242527 /nfs/dbraw/zinc/24/25/27/1023242527.db2.gz CSPDSLVQZWMTBO-HSALFYBXSA-N 1 3 358.530 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(Cc3ccccn3)CC2)CC[N@H+]1C ZINC000948381047 1023242534 /nfs/dbraw/zinc/24/25/34/1023242534.db2.gz CSPDSLVQZWMTBO-HSALFYBXSA-N 1 3 358.530 2.625 20 0 FFADHO CCOC(=O)N(C)C1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000753530528 1023346661 /nfs/dbraw/zinc/34/66/61/1023346661.db2.gz NLVJVNWAAWPJLF-UHFFFAOYSA-N 1 3 357.458 2.628 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@]32C[NH3+])N(C)C)cc1 ZINC001120625396 1023393303 /nfs/dbraw/zinc/39/33/03/1023393303.db2.gz YKYOBUPEPBRPGX-AYBZRNKSSA-N 1 3 362.543 2.534 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](C(C)C)C3)cc2)CC1 ZINC000755998517 1023658104 /nfs/dbraw/zinc/65/81/04/1023658104.db2.gz XZCGKDAXKBVXCD-SFHVURJKSA-N 1 3 358.530 2.745 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](C(C)C)C3)cc2)CC1 ZINC000755998517 1023658107 /nfs/dbraw/zinc/65/81/07/1023658107.db2.gz XZCGKDAXKBVXCD-SFHVURJKSA-N 1 3 358.530 2.745 20 0 FFADHO CC1(C)CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC001124104434 1024286170 /nfs/dbraw/zinc/28/61/70/1024286170.db2.gz GTMRYLNTDRQJIH-GOSISDBHSA-N 1 3 358.530 2.673 20 0 FFADHO N[C@H](C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)no1)C1CC[NH2+]CC1 ZINC001218560484 1033222069 /nfs/dbraw/zinc/22/20/69/1033222069.db2.gz RDEVLSWIXMLYBX-HNNXBMFYSA-N 1 3 368.359 2.626 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1 ZINC001101443544 1024759037 /nfs/dbraw/zinc/75/90/37/1024759037.db2.gz JWIYGFUBVQOVMF-MJGOQNOKSA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1 ZINC001101443544 1024759041 /nfs/dbraw/zinc/75/90/41/1024759041.db2.gz JWIYGFUBVQOVMF-MJGOQNOKSA-N 1 3 371.516 2.934 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)CC3CC[NH+](C)CC3)C2)cc1 ZINC000637723651 1025550006 /nfs/dbraw/zinc/55/00/06/1025550006.db2.gz QJNFGWUORJWBJB-HXUWFJFHSA-N 1 3 358.530 2.553 20 0 FFADHO O=C(Cc1cccc2c1CC[NH2+]C2)N1CCCN(Cc2ccccc2)CC1 ZINC000637799175 1025584499 /nfs/dbraw/zinc/58/44/99/1025584499.db2.gz KUDSYYACKHILDH-UHFFFAOYSA-N 1 3 363.505 2.609 20 0 FFADHO Cc1cc(CN)oc1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000638111307 1025707527 /nfs/dbraw/zinc/70/75/27/1025707527.db2.gz DENRXBBTVJRFNG-UHFFFAOYSA-N 1 3 363.502 2.590 20 0 FFADHO Cc1cc(CN)oc1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000638111307 1025707543 /nfs/dbraw/zinc/70/75/43/1025707543.db2.gz DENRXBBTVJRFNG-UHFFFAOYSA-N 1 3 363.502 2.590 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366368 1025820811 /nfs/dbraw/zinc/82/08/11/1025820811.db2.gz CIBBCBMFAQVDSI-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366368 1025820835 /nfs/dbraw/zinc/82/08/35/1025820835.db2.gz CIBBCBMFAQVDSI-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2C)C1 ZINC001102370083 1025826151 /nfs/dbraw/zinc/82/61/51/1025826151.db2.gz QFKOMCVPSLZGED-QWFCFKBJSA-N 1 3 361.574 2.983 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2C)C1 ZINC001102370083 1025826162 /nfs/dbraw/zinc/82/61/62/1025826162.db2.gz QFKOMCVPSLZGED-QWFCFKBJSA-N 1 3 361.574 2.983 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c(C)s1 ZINC001102373104 1025837029 /nfs/dbraw/zinc/83/70/29/1025837029.db2.gz VPZLEBRBSHFEAO-QMTMVMCOSA-N 1 3 363.571 2.891 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c(C)s1 ZINC001102373104 1025837050 /nfs/dbraw/zinc/83/70/50/1025837050.db2.gz VPZLEBRBSHFEAO-QMTMVMCOSA-N 1 3 363.571 2.891 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@H]1C ZINC001102473776 1026047518 /nfs/dbraw/zinc/04/75/18/1026047518.db2.gz PHUMQXDGCHOUNV-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@H]1C ZINC001102473776 1026047527 /nfs/dbraw/zinc/04/75/27/1026047527.db2.gz PHUMQXDGCHOUNV-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC001102524459 1026215664 /nfs/dbraw/zinc/21/56/64/1026215664.db2.gz GGTRRBUSZAJXJX-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC001102524459 1026215669 /nfs/dbraw/zinc/21/56/69/1026215669.db2.gz GGTRRBUSZAJXJX-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102525191 1026217328 /nfs/dbraw/zinc/21/73/28/1026217328.db2.gz PKSIVLXNWWNKGU-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102525191 1026217338 /nfs/dbraw/zinc/21/73/38/1026217338.db2.gz PKSIVLXNWWNKGU-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO CO[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000639210100 1026231044 /nfs/dbraw/zinc/23/10/44/1026231044.db2.gz GXFHJSUQGRQCKN-SFTDATJTSA-N 1 3 358.526 2.930 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1C ZINC001102531961 1026242849 /nfs/dbraw/zinc/24/28/49/1026242849.db2.gz NJFHVOPAWFOZJX-YLJYHZDGSA-N 1 3 368.525 2.968 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCCc2ccccc2)C[C@H]1C ZINC001102531961 1026242863 /nfs/dbraw/zinc/24/28/63/1026242863.db2.gz NJFHVOPAWFOZJX-YLJYHZDGSA-N 1 3 368.525 2.968 20 0 FFADHO COc1cc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)ccn1 ZINC000639311598 1026277150 /nfs/dbraw/zinc/27/71/50/1026277150.db2.gz OOXTZSPYMPDUGS-QGZVFWFLSA-N 1 3 354.498 2.918 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102600836 1026400926 /nfs/dbraw/zinc/40/09/26/1026400926.db2.gz XNNCVSXBLREHCY-XQBPLPMBSA-N 1 3 371.569 2.816 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102600836 1026400930 /nfs/dbraw/zinc/40/09/30/1026400930.db2.gz XNNCVSXBLREHCY-XQBPLPMBSA-N 1 3 371.569 2.816 20 0 FFADHO CC[C@@H]1[C@H](CO)CCN1C[C@@H](C[N@@H+]1CC[C@@H](CO)[C@@H]1CC)c1ccccc1 ZINC000639660119 1026422606 /nfs/dbraw/zinc/42/26/06/1026422606.db2.gz VDRNGWIIJOUALM-FADBTOOJSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CCN1C[C@@H](C[N@H+]1CC[C@@H](CO)[C@@H]1CC)c1ccccc1 ZINC000639660119 1026422609 /nfs/dbraw/zinc/42/26/09/1026422609.db2.gz VDRNGWIIJOUALM-FADBTOOJSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](CN1CC[C@@H](CO)[C@@H]1CC)c1ccccc1 ZINC000639660119 1026422612 /nfs/dbraw/zinc/42/26/12/1026422612.db2.gz VDRNGWIIJOUALM-FADBTOOJSA-N 1 3 374.569 2.956 20 0 FFADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](CN1CC[C@@H](CO)[C@@H]1CC)c1ccccc1 ZINC000639660119 1026422615 /nfs/dbraw/zinc/42/26/15/1026422615.db2.gz VDRNGWIIJOUALM-FADBTOOJSA-N 1 3 374.569 2.956 20 0 FFADHO COc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000639701849 1026439743 /nfs/dbraw/zinc/43/97/43/1026439743.db2.gz DCGFOGVALXQVGR-UHFFFAOYSA-N 1 3 354.454 2.631 20 0 FFADHO COc1ccc(NC(=O)CC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000639701849 1026439746 /nfs/dbraw/zinc/43/97/46/1026439746.db2.gz DCGFOGVALXQVGR-UHFFFAOYSA-N 1 3 354.454 2.631 20 0 FFADHO CC(C)OCc1ccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757540 1026457161 /nfs/dbraw/zinc/45/71/61/1026457161.db2.gz HNNKJJGQZXFGQM-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO C[C@H]1CN(C[C@H](C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2)C[C@]1(C)CO ZINC000639864612 1026497016 /nfs/dbraw/zinc/49/70/16/1026497016.db2.gz ZJMPUAVRLWHPQJ-NORILPHNSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1CN(C[C@H](C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2)C[C@]1(C)CO ZINC000639864612 1026497019 /nfs/dbraw/zinc/49/70/19/1026497019.db2.gz ZJMPUAVRLWHPQJ-NORILPHNSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1C[N@@H+](C[C@H](CN2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2)C[C@]1(C)CO ZINC000639864612 1026497028 /nfs/dbraw/zinc/49/70/28/1026497028.db2.gz ZJMPUAVRLWHPQJ-NORILPHNSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1C[N@H+](C[C@H](CN2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2)C[C@]1(C)CO ZINC000639864612 1026497033 /nfs/dbraw/zinc/49/70/33/1026497033.db2.gz ZJMPUAVRLWHPQJ-NORILPHNSA-N 1 3 374.569 2.671 20 0 FFADHO Cc1nc2c(cccc2NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000640248024 1026669427 /nfs/dbraw/zinc/66/94/27/1026669427.db2.gz XJEDDVPHHFCWBD-UHFFFAOYSA-N 1 3 371.485 2.816 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](C4CCC4)C3)cc2)CC1 ZINC000839675899 1026788737 /nfs/dbraw/zinc/78/87/37/1026788737.db2.gz IHIKRCCOHZUMML-IBGZPJMESA-N 1 3 370.541 2.889 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](C4CCC4)C3)cc2)CC1 ZINC000839675899 1026788743 /nfs/dbraw/zinc/78/87/43/1026788743.db2.gz IHIKRCCOHZUMML-IBGZPJMESA-N 1 3 370.541 2.889 20 0 FFADHO C[NH+](C)Cc1ccnc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000640556858 1026795254 /nfs/dbraw/zinc/79/52/54/1026795254.db2.gz PYROTVQQGYMLGM-MRXNPFEDSA-N 1 3 357.458 2.695 20 0 FFADHO CCCCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCC[C@@H](C)C1 ZINC000840090916 1026953155 /nfs/dbraw/zinc/95/31/55/1026953155.db2.gz NYIGVCPNIFZWMY-SJORKVTESA-N 1 3 364.534 2.641 20 0 FFADHO CN1CCC(N(c2cc(-c3cccs3)ncn2)C2CC[NH2+]CC2)CC1 ZINC001158588827 1027069329 /nfs/dbraw/zinc/06/93/29/1027069329.db2.gz GCEBLCDUEHTOQN-UHFFFAOYSA-N 1 3 357.527 2.858 20 0 FFADHO CCc1nc(Cl)nc(Cl)c1N(C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001158590674 1027070038 /nfs/dbraw/zinc/07/00/38/1027070038.db2.gz HEHOOJCUTJFYLW-UHFFFAOYSA-N 1 3 372.344 2.998 20 0 FFADHO CN1CCC(N(c2ccc(-c3ccccc3F)nn2)C2CC[NH2+]CC2)CC1 ZINC001158588854 1027070313 /nfs/dbraw/zinc/07/03/13/1027070313.db2.gz HICGSWDMWWFWDJ-UHFFFAOYSA-N 1 3 369.488 2.935 20 0 FFADHO COc1ccc2c(c1)C[C@H](Nc1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001159361016 1027366917 /nfs/dbraw/zinc/36/69/17/1027366917.db2.gz QOMKECFRWFSCPA-GOSISDBHSA-N 1 3 352.482 2.987 20 0 FFADHO Cc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncc1F ZINC001159460779 1027397229 /nfs/dbraw/zinc/39/72/29/1027397229.db2.gz NZOSRYVYVPWAJO-UHFFFAOYSA-N 1 3 353.445 2.834 20 0 FFADHO COc1cc(C)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460165 1027397905 /nfs/dbraw/zinc/39/79/05/1027397905.db2.gz CGSPCHXLSVPJRA-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO Cc1ncc(F)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460330 1027398004 /nfs/dbraw/zinc/39/80/04/1027398004.db2.gz SMOCDXIUDWNOCT-UHFFFAOYSA-N 1 3 353.445 2.834 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4cnccc43)c3ccccc23)CC1 ZINC001159460729 1027398501 /nfs/dbraw/zinc/39/85/01/1027398501.db2.gz ZRQDPDUWMQTRCH-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4cc[nH]c43)c3ccccc23)CC1 ZINC001159460280 1027398756 /nfs/dbraw/zinc/39/87/56/1027398756.db2.gz QVXXPPYFGPACBH-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2C)C1 ZINC001103436181 1027481584 /nfs/dbraw/zinc/48/15/84/1027481584.db2.gz NVHUETXOFJSBKO-KZNAEPCWSA-N 1 3 363.571 2.707 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2C)C1 ZINC001103436181 1027481594 /nfs/dbraw/zinc/48/15/94/1027481594.db2.gz NVHUETXOFJSBKO-KZNAEPCWSA-N 1 3 363.571 2.707 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C)N(C)C ZINC001103444725 1027491310 /nfs/dbraw/zinc/49/13/10/1027491310.db2.gz HGZXPVHGOYVGDH-OLMNPRSZSA-N 1 3 351.560 2.971 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1C)N(C)C ZINC001103444725 1027491319 /nfs/dbraw/zinc/49/13/19/1027491319.db2.gz HGZXPVHGOYVGDH-OLMNPRSZSA-N 1 3 351.560 2.971 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001160454311 1027711352 /nfs/dbraw/zinc/71/13/52/1027711352.db2.gz MDOFYSVRGNUMRF-IBGZPJMESA-N 1 3 361.530 2.534 20 0 FFADHO N[C@H](C(=O)N1CCC(c2ccc3ccccc3c2)CC1)C1CC[NH2+]CC1 ZINC001160527501 1027742195 /nfs/dbraw/zinc/74/21/95/1027742195.db2.gz UZVQNWFXLFEQIJ-NRFANRHFSA-N 1 3 351.494 2.873 20 0 FFADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160728424 1027831775 /nfs/dbraw/zinc/83/17/75/1027831775.db2.gz DBRBTWDJQNADLP-LMMKCTJWSA-N 1 3 351.535 2.650 20 0 FFADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160728424 1027831790 /nfs/dbraw/zinc/83/17/90/1027831790.db2.gz DBRBTWDJQNADLP-LMMKCTJWSA-N 1 3 351.535 2.650 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001160958092 1027947946 /nfs/dbraw/zinc/94/79/46/1027947946.db2.gz UVIPGWIIOFSRLV-YFVAEKQCSA-N 1 3 373.541 2.896 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001161029701 1027978714 /nfs/dbraw/zinc/97/87/14/1027978714.db2.gz PNDDWOVTUKRJGT-ROUUACIJSA-N 1 3 367.921 2.736 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC(c2[nH]nc3ccccc32)CC1 ZINC001161105210 1028012175 /nfs/dbraw/zinc/01/21/75/1028012175.db2.gz JLBJLFBCQRFTKK-SFHVURJKSA-N 1 3 371.529 2.765 20 0 FFADHO Cc1cccc(N(C(=O)[C@@](C)(N)Cc2ccc(F)cc2)C2CC[NH2+]CC2)n1 ZINC001161302898 1028124317 /nfs/dbraw/zinc/12/43/17/1028124317.db2.gz PHXYIMQYNOCCFN-NRFANRHFSA-N 1 3 370.472 2.574 20 0 FFADHO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)s1 ZINC001103754578 1028142379 /nfs/dbraw/zinc/14/23/79/1028142379.db2.gz LVTQIDVSLMFMJU-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)s1 ZINC001103754578 1028142381 /nfs/dbraw/zinc/14/23/81/1028142381.db2.gz LVTQIDVSLMFMJU-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103755443 1028142660 /nfs/dbraw/zinc/14/26/60/1028142660.db2.gz HDEPHIKPNWCNPM-IXDOHACOSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103755443 1028142667 /nfs/dbraw/zinc/14/26/67/1028142667.db2.gz HDEPHIKPNWCNPM-IXDOHACOSA-N 1 3 359.505 2.836 20 0 FFADHO Cc1ccc(-c2cccc(C(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC001161448720 1028180499 /nfs/dbraw/zinc/18/04/99/1028180499.db2.gz GPQLWZXXGKFEPF-LJQANCHMSA-N 1 3 366.509 2.813 20 0 FFADHO CCOc1cccc2cc(C(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)oc21 ZINC001161450649 1028182573 /nfs/dbraw/zinc/18/25/73/1028182573.db2.gz HEVRPAANSLKTEL-MRXNPFEDSA-N 1 3 359.470 2.587 20 0 FFADHO COc1ccnc(C(C)(C)CNc2cccc(N3CC[NH+](C)CC3)n2)c1 ZINC001162129834 1028444749 /nfs/dbraw/zinc/44/47/49/1028444749.db2.gz QCGLJLIQNKWXSW-UHFFFAOYSA-N 1 3 355.486 2.627 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@H]1CCCN(c2ccccc2F)C1 ZINC000644610761 1028582639 /nfs/dbraw/zinc/58/26/39/1028582639.db2.gz QHYZLOWNWJCDEJ-VQTJNVASSA-N 1 3 371.500 2.877 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@H]1CCCN(c2ccccc2F)C1 ZINC000644610761 1028582652 /nfs/dbraw/zinc/58/26/52/1028582652.db2.gz QHYZLOWNWJCDEJ-VQTJNVASSA-N 1 3 371.500 2.877 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001162777208 1028654254 /nfs/dbraw/zinc/65/42/54/1028654254.db2.gz NSGINERNPAFCST-CQSZACIVSA-N 1 3 363.465 2.609 20 0 FFADHO C[NH+]1CCC(COc2cnc(N[C@H]3CNCc4ccsc43)nc2)CC1 ZINC001163220671 1028845995 /nfs/dbraw/zinc/84/59/95/1028845995.db2.gz GOFITYIKMWJCJB-INIZCTEOSA-N 1 3 359.499 2.515 20 0 FFADHO Brc1cccc2nc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH]c21 ZINC001163321853 1028893533 /nfs/dbraw/zinc/89/35/33/1028893533.db2.gz DWBKTPDTAJRVJV-MEBBXXQBSA-N 1 3 351.248 2.648 20 0 FFADHO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncccc2CN2CCCC2)cc1 ZINC001163465321 1028937344 /nfs/dbraw/zinc/93/73/44/1028937344.db2.gz FRIPCXIZZNAUHX-SFHVURJKSA-N 1 3 354.454 2.576 20 0 FFADHO CN(C)C1(CNc2c[nH]c3nccc(Br)c23)CC[NH+](C)CC1 ZINC001164213635 1029206683 /nfs/dbraw/zinc/20/66/83/1029206683.db2.gz ZSPBXSYGFCPCBG-UHFFFAOYSA-N 1 3 366.307 2.763 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)C(C)C)cc2)CC1 ZINC000781804953 1029416985 /nfs/dbraw/zinc/41/69/85/1029416985.db2.gz IQWIGKBRCAUHML-UHFFFAOYSA-N 1 3 361.534 2.632 20 0 FFADHO N[C@H]1CN(C(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)C[C@H]1F ZINC001157538617 1029611256 /nfs/dbraw/zinc/61/12/56/1029611256.db2.gz ORNGPJCCULMBDQ-RTWAWAEBSA-N 1 3 369.484 2.977 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ncnc4ccc(Cl)cc43)CC2)CC1 ZINC001157835534 1029672190 /nfs/dbraw/zinc/67/21/90/1029672190.db2.gz DRKRTSVKPLXHGI-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cnc4cccc(Cl)c4n3)CC2)CC1 ZINC001157835432 1029672196 /nfs/dbraw/zinc/67/21/96/1029672196.db2.gz BRDDPVCSGRSOKG-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO N[C@@]1(C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)CCc2cc(F)ccc2C1 ZINC001158031348 1029712215 /nfs/dbraw/zinc/71/22/15/1029712215.db2.gz LUYFRMYPNXYWPF-VXKWHMMOSA-N 1 3 373.516 2.784 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3cc4nc(Cl)cnc4cc3Cl)CC2)C1 ZINC001158258852 1029775065 /nfs/dbraw/zinc/77/50/65/1029775065.db2.gz KBJUEGIGSQXPAA-NSHDSACASA-N 1 3 366.296 2.938 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3cc4nc(Cl)cnc4cc3Cl)CC2)C1 ZINC001158258852 1029775071 /nfs/dbraw/zinc/77/50/71/1029775071.db2.gz KBJUEGIGSQXPAA-NSHDSACASA-N 1 3 366.296 2.938 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001112182272 1030166308 /nfs/dbraw/zinc/16/63/08/1030166308.db2.gz XVHSQFCVRUYTOS-BZUAXINKSA-N 1 3 365.484 2.989 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841820226 1030485860 /nfs/dbraw/zinc/48/58/60/1030485860.db2.gz LDIUJETZEPDIGZ-HXUWFJFHSA-N 1 3 370.541 2.999 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841925931 1030547856 /nfs/dbraw/zinc/54/78/56/1030547856.db2.gz XJKQGZYCQCPIHJ-UHFFFAOYSA-N 1 3 372.488 2.600 20 0 FFADHO Cc1cncc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccco4)CO3)CC2)n1 ZINC001203165357 1030631941 /nfs/dbraw/zinc/63/19/41/1030631941.db2.gz FAMBFSCMSJHNAK-GOSISDBHSA-N 1 3 356.470 2.634 20 0 FFADHO COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001203954970 1031011593 /nfs/dbraw/zinc/01/15/93/1031011593.db2.gz CUUAVWIASGZYLX-NHCUHLMSSA-N 1 3 371.525 2.602 20 0 FFADHO CN1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)[C@@H](c2ccccc2)C1 ZINC001204692120 1031412621 /nfs/dbraw/zinc/41/26/21/1031412621.db2.gz SGOZBDZOTQQSIU-JOCHJYFZSA-N 1 3 350.510 2.585 20 0 FFADHO Oc1ccc(N2CCN(Cc3cn4c5c3cccc5C[NH2+]CC4)CC2)cc1 ZINC001204863127 1031455188 /nfs/dbraw/zinc/45/51/88/1031455188.db2.gz DVUFJQOLGFHXPG-UHFFFAOYSA-N 1 3 362.477 2.772 20 0 FFADHO CN(C)C(=O)C1CCN(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC001205282245 1031649142 /nfs/dbraw/zinc/64/91/42/1031649142.db2.gz PIZCRKXRQZAKAI-UHFFFAOYSA-N 1 3 368.525 2.933 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCCF)C1 ZINC001205318579 1031666038 /nfs/dbraw/zinc/66/60/38/1031666038.db2.gz HGLWOBWEZLICFQ-RBUKOAKNSA-N 1 3 367.484 2.801 20 0 FFADHO CN(CC(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)C1CCC1 ZINC001150134582 1031666415 /nfs/dbraw/zinc/66/64/15/1031666415.db2.gz VELAYTZUFNICHM-SZPZYZBQSA-N 1 3 355.526 2.841 20 0 FFADHO CN(CC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)C1CCC1 ZINC001150134582 1031666424 /nfs/dbraw/zinc/66/64/24/1031666424.db2.gz VELAYTZUFNICHM-SZPZYZBQSA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC2CC2)C1 ZINC001205326491 1031671778 /nfs/dbraw/zinc/67/17/78/1031671778.db2.gz ZQQWAJJMUWKHLX-VQTJNVASSA-N 1 3 361.505 2.850 20 0 FFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218710486 1033295899 /nfs/dbraw/zinc/29/58/99/1033295899.db2.gz GKTPXWVXWUMNJU-KRWDZBQOSA-N 1 3 364.449 2.756 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@]3(C(C)C)CCC[NH2+]C3)cc2)CC1 ZINC001218845869 1033371158 /nfs/dbraw/zinc/37/11/58/1033371158.db2.gz LNRVHFMLKYJTOI-JOCHJYFZSA-N 1 3 372.557 2.788 20 0 FFADHO Cc1ccc([C@@H](C(=O)Nc2cccc3c2CNC3)N2CCC([NH3+])CC2)cc1 ZINC001218992787 1033447548 /nfs/dbraw/zinc/44/75/48/1033447548.db2.gz FHVMKSDGUBPTRH-NRFANRHFSA-N 1 3 364.493 2.701 20 0 FFADHO N[C@@]1(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)CCc2cc(F)ccc2C1 ZINC001218997447 1033448777 /nfs/dbraw/zinc/44/87/77/1033448777.db2.gz UPJDGMMCUJXWBC-UWJYYQICSA-N 1 3 353.441 2.728 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCCC3CCCC3)C[C@@H]21 ZINC001219003151 1033453049 /nfs/dbraw/zinc/45/30/49/1033453049.db2.gz WOLNVHTWJIKBTJ-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCCC3CCCC3)C[C@@H]21 ZINC001219003151 1033453056 /nfs/dbraw/zinc/45/30/56/1033453056.db2.gz WOLNVHTWJIKBTJ-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1cc(Br)cc(C(C)C)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219132910 1033526907 /nfs/dbraw/zinc/52/69/07/1033526907.db2.gz AAGVKCYKVIJISI-AWEZNQCLSA-N 1 3 366.303 2.628 20 0 FFADHO N[C@H](CCC[NH3+])C(=O)Nc1ccccc1C(=O)OC/C=C/c1ccccc1 ZINC001219389080 1033628530 /nfs/dbraw/zinc/62/85/30/1033628530.db2.gz OJLWBUOXDSCZNX-RUJXFNLJSA-N 1 3 367.449 2.562 20 0 FFADHO N[C@@H](C(=O)Nc1ccc2c(c1)N(Cc1ccccc1)CC2)C1CC[NH2+]CC1 ZINC001219521048 1033675242 /nfs/dbraw/zinc/67/52/42/1033675242.db2.gz SVLLDFQYFYJPBU-OAQYLSRUSA-N 1 3 364.493 2.515 20 0 FFADHO [NH3+]Cc1ccccc1C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669256 1033740492 /nfs/dbraw/zinc/74/04/92/1033740492.db2.gz RMDBHWUZDHPVBN-UHFFFAOYSA-N 1 3 351.494 2.830 20 0 FFADHO CC1CC[NH+](CCc2cccc(NC(=O)c3n[nH]c4c3CNCC4)c2)CC1 ZINC000831502213 1034103642 /nfs/dbraw/zinc/10/36/42/1034103642.db2.gz IKTIWLAIRAJKKK-UHFFFAOYSA-N 1 3 367.497 2.582 20 0 FFADHO O=C(NC/C(=C/F)CCc1ccc(F)cc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220431993 1034172801 /nfs/dbraw/zinc/17/28/01/1034172801.db2.gz VBWLLNPYOKWGDY-IYICPGQYSA-N 1 3 363.452 2.602 20 0 FFADHO O=C(NC/C(=C/F)CCc1ccc(F)cc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220431993 1034172811 /nfs/dbraw/zinc/17/28/11/1034172811.db2.gz VBWLLNPYOKWGDY-IYICPGQYSA-N 1 3 363.452 2.602 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1nc(-c2ccccc2)cs1 ZINC001220473607 1034201858 /nfs/dbraw/zinc/20/18/58/1034201858.db2.gz HTLBPUGZGSRGCW-INIZCTEOSA-N 1 3 360.527 2.922 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@@H]3CCc4c3cccc4Cl)CC2)CC[N@@H+]1C ZINC001277060367 1034347442 /nfs/dbraw/zinc/34/74/42/1034347442.db2.gz NLMHFUVBSGFKHR-HBUWYVDXSA-N 1 3 361.917 2.906 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@@H]3CCc4c3cccc4Cl)CC2)CC[N@H+]1C ZINC001277060367 1034347444 /nfs/dbraw/zinc/34/74/44/1034347444.db2.gz NLMHFUVBSGFKHR-HBUWYVDXSA-N 1 3 361.917 2.906 20 0 FFADHO O=C(C[C@@H]1Cc2ccccc2CN1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917043 1034459486 /nfs/dbraw/zinc/45/94/86/1034459486.db2.gz KNFSTOIEFSGJEB-SFTDATJTSA-N 1 3 355.526 2.862 20 0 FFADHO O=C(C[C@@H]1Cc2ccccc2CN1)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917043 1034459494 /nfs/dbraw/zinc/45/94/94/1034459494.db2.gz KNFSTOIEFSGJEB-SFTDATJTSA-N 1 3 355.526 2.862 20 0 FFADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220962826 1034480881 /nfs/dbraw/zinc/48/08/81/1034480881.db2.gz SESZSFHDJJFXBY-FQEVSTJZSA-N 1 3 367.468 2.983 20 0 FFADHO O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220962826 1034480889 /nfs/dbraw/zinc/48/08/89/1034480889.db2.gz SESZSFHDJJFXBY-FQEVSTJZSA-N 1 3 367.468 2.983 20 0 FFADHO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)c1ccc2c(c1)CNC2 ZINC001221045954 1034522537 /nfs/dbraw/zinc/52/25/37/1034522537.db2.gz UVHKGINPKBLCNC-HXUWFJFHSA-N 1 3 353.441 2.900 20 0 FFADHO C[NH2+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221063299 1034532915 /nfs/dbraw/zinc/53/29/15/1034532915.db2.gz RDGRDVUNKGEQCL-LEWJYISDSA-N 1 3 351.494 2.598 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001221092324 1034540874 /nfs/dbraw/zinc/54/08/74/1034540874.db2.gz XJDMSTMMWVCKBJ-INIZCTEOSA-N 1 3 369.431 2.999 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)cc1 ZINC001221165006 1034584313 /nfs/dbraw/zinc/58/43/13/1034584313.db2.gz CDXOAKCZQQVSRT-QUCCMNQESA-N 1 3 358.530 2.600 20 0 FFADHO CN1CCC[C@@](C)(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC001221240980 1034620463 /nfs/dbraw/zinc/62/04/63/1034620463.db2.gz JUFCXUJRBYACDG-SOLBZPMBSA-N 1 3 369.431 2.609 20 0 FFADHO COc1cc(O[C@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)ccn1 ZINC001138773895 1034641966 /nfs/dbraw/zinc/64/19/66/1034641966.db2.gz RSNXPIPZPCSJJD-FQEVSTJZSA-N 1 3 371.481 2.684 20 0 FFADHO Cc1cccnc1O[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138774144 1034643987 /nfs/dbraw/zinc/64/39/87/1034643987.db2.gz ZWNMEZNSZMAFLI-FQEVSTJZSA-N 1 3 355.482 2.984 20 0 FFADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)c1 ZINC001221405376 1034716654 /nfs/dbraw/zinc/71/66/54/1034716654.db2.gz RRIQBUYXEQMWGB-UXHICEINSA-N 1 3 369.509 2.679 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccccc3OC(F)F)CC2)CC1 ZINC001138912084 1034802494 /nfs/dbraw/zinc/80/24/94/1034802494.db2.gz XQRGTPUZBWFOAO-UHFFFAOYSA-N 1 3 353.457 2.747 20 0 FFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001226775622 1034832883 /nfs/dbraw/zinc/83/28/83/1034832883.db2.gz UUJVFUFHFAFRSU-NUJGCVRESA-N 1 3 364.921 2.592 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(Cl)c2)CCC1 ZINC001226781844 1034837345 /nfs/dbraw/zinc/83/73/45/1034837345.db2.gz CGFRPORJLTXNQQ-HZPDHXFCSA-N 1 3 364.921 2.736 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)N(C)C)s1 ZINC001226931894 1034886784 /nfs/dbraw/zinc/88/67/84/1034886784.db2.gz DINSZLOBXVFGAJ-NUJGCVRESA-N 1 3 366.575 2.863 20 0 FFADHO CCc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001226932309 1034886867 /nfs/dbraw/zinc/88/68/67/1034886867.db2.gz IURRMZXOVXJDAC-QRVBRYPASA-N 1 3 364.534 2.649 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cc4c(c(Cl)c3)OCO4)CC2)CC1 ZINC001139074813 1034919262 /nfs/dbraw/zinc/91/92/62/1034919262.db2.gz UYKRKGDLBWPGOM-UHFFFAOYSA-N 1 3 365.905 2.528 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCCc3ccccc3)C[C@H]21 ZINC001221654854 1034952969 /nfs/dbraw/zinc/95/29/69/1034952969.db2.gz VHISXMOBZUSUNG-WOJBJXKFSA-N 1 3 357.542 2.882 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCCc3ccccc3)C[C@H]21 ZINC001221654854 1034952976 /nfs/dbraw/zinc/95/29/76/1034952976.db2.gz VHISXMOBZUSUNG-WOJBJXKFSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221664317 1034964180 /nfs/dbraw/zinc/96/41/80/1034964180.db2.gz PFYJNISAMPQLHQ-CEXWTWQISA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221664317 1034964198 /nfs/dbraw/zinc/96/41/98/1034964198.db2.gz PFYJNISAMPQLHQ-CEXWTWQISA-N 1 3 353.526 2.779 20 0 FFADHO C[C@H](CCCNCc1ccc(F)cc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277194034 1035490323 /nfs/dbraw/zinc/49/03/23/1035490323.db2.gz SDTWQWQXAJTCDM-CKEIUWERSA-N 1 3 353.457 2.680 20 0 FFADHO C[C@H](CCCNCc1ccc(F)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277194034 1035490325 /nfs/dbraw/zinc/49/03/25/1035490325.db2.gz SDTWQWQXAJTCDM-CKEIUWERSA-N 1 3 353.457 2.680 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl)C12CCC[NH+]1CCC2 ZINC001227276648 1035494646 /nfs/dbraw/zinc/49/46/46/1035494646.db2.gz ZFIYVIOUOFMAGV-ZIAGYGMSSA-N 1 3 360.329 2.951 20 0 FFADHO COc1cc(Cl)ccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001232501686 1035745917 /nfs/dbraw/zinc/74/59/17/1035745917.db2.gz CLWZQBQEAIEQDA-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCN(CC2CCCCC2)CC1 ZINC001227883367 1035784720 /nfs/dbraw/zinc/78/47/20/1035784720.db2.gz SYKLZHSSQPJVLW-FQEVSTJZSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCN(CC2CCCCC2)CC1 ZINC001227883367 1035784733 /nfs/dbraw/zinc/78/47/33/1035784733.db2.gz SYKLZHSSQPJVLW-FQEVSTJZSA-N 1 3 362.562 2.911 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)n2)CC1 ZINC001228224760 1035999918 /nfs/dbraw/zinc/99/99/18/1035999918.db2.gz OFPBKZTYOXRLOH-HZPDHXFCSA-N 1 3 364.921 2.594 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1Cl ZINC001228366266 1036072145 /nfs/dbraw/zinc/07/21/45/1036072145.db2.gz OAQNZGPXUWYCBY-IAGOWNOFSA-N 1 3 355.885 2.948 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](Cc1coc3ccccc13)CC2 ZINC001140783107 1036131502 /nfs/dbraw/zinc/13/15/02/1036131502.db2.gz JVQJIDTVHYVZSQ-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1coc3ccccc13)CC2 ZINC001140783107 1036131514 /nfs/dbraw/zinc/13/15/14/1036131514.db2.gz JVQJIDTVHYVZSQ-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)CC(C)(C)C)s1 ZINC001228624185 1036212378 /nfs/dbraw/zinc/21/23/78/1036212378.db2.gz SEJDUXDQZNKEGT-IAGOWNOFSA-N 1 3 366.575 2.946 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cc(C)n[nH]1)CC2 ZINC001203070990 1036268275 /nfs/dbraw/zinc/26/82/75/1036268275.db2.gz FMSHWPVIJMSEST-FQEVSTJZSA-N 1 3 369.513 2.616 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cc(C)n[nH]1)CC2 ZINC001203070990 1036268291 /nfs/dbraw/zinc/26/82/91/1036268291.db2.gz FMSHWPVIJMSEST-FQEVSTJZSA-N 1 3 369.513 2.616 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001228931904 1036415285 /nfs/dbraw/zinc/41/52/85/1036415285.db2.gz GBVSSDOOXKFRNE-QRVBRYPASA-N 1 3 353.551 2.691 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001228932295 1036415357 /nfs/dbraw/zinc/41/53/57/1036415357.db2.gz MSXCZJJNWRMGEZ-GUDVDZBRSA-N 1 3 353.551 2.693 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1OC)N(C)C ZINC001229747339 1036867541 /nfs/dbraw/zinc/86/75/41/1036867541.db2.gz XYCIHQLQHQBURJ-QRVBRYPASA-N 1 3 361.530 2.861 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c(F)cccc3OC(F)F)CC2)CC1 ZINC001207116215 1037160449 /nfs/dbraw/zinc/16/04/49/1037160449.db2.gz AMRBHIKUQBWKAC-UHFFFAOYSA-N 1 3 371.447 2.887 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001230247861 1037176786 /nfs/dbraw/zinc/17/67/86/1037176786.db2.gz NUAJPESXYCRGEH-WOJBJXKFSA-N 1 3 361.530 2.804 20 0 FFADHO COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286185 1037195927 /nfs/dbraw/zinc/19/59/27/1037195927.db2.gz FCICJPGPEUFGCA-QRVBRYPASA-N 1 3 353.551 2.550 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001230284418 1037195998 /nfs/dbraw/zinc/19/59/98/1037195998.db2.gz DLGWFQORUUQFPH-RRFJBIMHSA-N 1 3 364.361 2.928 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207262622 1037296266 /nfs/dbraw/zinc/29/62/66/1037296266.db2.gz JXHKKMPDXLMPJT-NSISKUIASA-N 1 3 363.521 2.865 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207262622 1037296274 /nfs/dbraw/zinc/29/62/74/1037296274.db2.gz JXHKKMPDXLMPJT-NSISKUIASA-N 1 3 363.521 2.865 20 0 FFADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](CCc3ccc(OC)cc3)CC2)C1 ZINC001207479163 1037476623 /nfs/dbraw/zinc/47/66/23/1037476623.db2.gz QLMVCPRHXBNKHB-GOSISDBHSA-N 1 3 360.498 2.587 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)CC1 ZINC001207484542 1037482146 /nfs/dbraw/zinc/48/21/46/1037482146.db2.gz PXGHTAGFCOVRQV-BHDDXSALSA-N 1 3 373.541 2.810 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)CC1 ZINC001207483329 1037482622 /nfs/dbraw/zinc/48/26/22/1037482622.db2.gz WCZZCQDYYAEYSD-PCCBWWKXSA-N 1 3 359.514 2.562 20 0 FFADHO CCn1c2ccccc2nc1N1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207488884 1037486775 /nfs/dbraw/zinc/48/67/75/1037486775.db2.gz RPWXITKQTAJJEK-UHFFFAOYSA-N 1 3 355.530 2.910 20 0 FFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001235390814 1037522006 /nfs/dbraw/zinc/52/20/06/1037522006.db2.gz RGPBDGQJOOLORU-KDURUIRLSA-N 1 3 357.498 2.931 20 0 FFADHO CN1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001235390814 1037522020 /nfs/dbraw/zinc/52/20/20/1037522020.db2.gz RGPBDGQJOOLORU-KDURUIRLSA-N 1 3 357.498 2.931 20 0 FFADHO Fc1cccc(CN2CC[C@]23CCCN(Cc2ccc4n2CC[NH2+]C4)C3)c1 ZINC001235627789 1037651545 /nfs/dbraw/zinc/65/15/45/1037651545.db2.gz BASQAVPCYYIHMS-QFIPXVFZSA-N 1 3 368.500 2.971 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790670 1037730486 /nfs/dbraw/zinc/73/04/86/1037730486.db2.gz VHJWTZPZXNQXEV-SJLPKXTDSA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790670 1037730505 /nfs/dbraw/zinc/73/05/05/1037730505.db2.gz VHJWTZPZXNQXEV-SJLPKXTDSA-N 1 3 353.551 2.501 20 0 FFADHO [NH3+][C@H](Cc1ccccc1)CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235795066 1037749074 /nfs/dbraw/zinc/74/90/74/1037749074.db2.gz NBTANJZPKOAHGQ-RTBURBONSA-N 1 3 374.326 2.965 20 0 FFADHO COC(=O)c1ccc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)[nH]1 ZINC001236379902 1038060340 /nfs/dbraw/zinc/06/03/40/1038060340.db2.gz BJUYDBRIUSGAGJ-UHFFFAOYSA-N 1 3 359.445 2.942 20 0 FFADHO COc1ccc(CN(C[C@@H]2[C@H](C)CNCC2(F)F)C2CC[NH2+]CC2)cc1 ZINC001236441141 1038091893 /nfs/dbraw/zinc/09/18/93/1038091893.db2.gz RNBHFHMXINUVDK-DNVCBOLYSA-N 1 3 367.484 2.740 20 0 FFADHO COc1cccc(C)c1CN1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001278876221 1038093239 /nfs/dbraw/zinc/09/32/39/1038093239.db2.gz SGNPVDQXIHHUKI-UHFFFAOYSA-N 1 3 354.498 2.798 20 0 FFADHO Cc1ccc(CN(Cc2ccc3n2CCNC3)C2CC[NH2+]CC2)c(F)c1 ZINC001236490216 1038108564 /nfs/dbraw/zinc/10/85/64/1038108564.db2.gz LLMMAYYLWHJBQI-UHFFFAOYSA-N 1 3 356.489 2.793 20 0 FFADHO CN(C)Cc1cc(F)cc(CN2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001232146316 1038195439 /nfs/dbraw/zinc/19/54/39/1038195439.db2.gz MHQDOXFUVOQSCD-UHFFFAOYSA-N 1 3 363.521 2.963 20 0 FFADHO CN(C)Cc1cc(F)cc(CN2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001232146316 1038195445 /nfs/dbraw/zinc/19/54/45/1038195445.db2.gz MHQDOXFUVOQSCD-UHFFFAOYSA-N 1 3 363.521 2.963 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232150231 1038199212 /nfs/dbraw/zinc/19/92/12/1038199212.db2.gz PRADOGOGFODPBE-UHFFFAOYSA-N 1 3 373.520 2.940 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@@H]2C1 ZINC001255962232 1038277065 /nfs/dbraw/zinc/27/70/65/1038277065.db2.gz SIZZXOICWGXDRV-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001255962232 1038277078 /nfs/dbraw/zinc/27/70/78/1038277078.db2.gz SIZZXOICWGXDRV-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001255962232 1038277087 /nfs/dbraw/zinc/27/70/87/1038277087.db2.gz SIZZXOICWGXDRV-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO CC(C)Oc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208434984 1038313043 /nfs/dbraw/zinc/31/30/43/1038313043.db2.gz MIFJQNMPULTNCX-YLJYHZDGSA-N 1 3 361.530 2.752 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001208530056 1038387407 /nfs/dbraw/zinc/38/74/07/1038387407.db2.gz CUYTXUHWDNWKOW-NSISKUIASA-N 1 3 363.521 2.781 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001208530056 1038387425 /nfs/dbraw/zinc/38/74/25/1038387425.db2.gz CUYTXUHWDNWKOW-NSISKUIASA-N 1 3 363.521 2.781 20 0 FFADHO COc1cc(O)cc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278916046 1038415305 /nfs/dbraw/zinc/41/53/05/1038415305.db2.gz UPRQQMHKFIBZPL-UHFFFAOYSA-N 1 3 356.470 2.612 20 0 FFADHO COc1cc(O)cc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278916046 1038415311 /nfs/dbraw/zinc/41/53/11/1038415311.db2.gz UPRQQMHKFIBZPL-UHFFFAOYSA-N 1 3 356.470 2.612 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cc(O)cc4ccccc43)CC[C@@H]2C1 ZINC001237068312 1038432739 /nfs/dbraw/zinc/43/27/39/1038432739.db2.gz GLEIHXQEZMMIQL-XMSQKQJNSA-N 1 3 370.493 2.715 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cc(O)cc4ccccc43)CC[C@@H]2C1 ZINC001237068312 1038432743 /nfs/dbraw/zinc/43/27/43/1038432743.db2.gz GLEIHXQEZMMIQL-XMSQKQJNSA-N 1 3 370.493 2.715 20 0 FFADHO CC(C)(C)OC(=O)CCOCCOCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256567758 1038563001 /nfs/dbraw/zinc/56/30/01/1038563001.db2.gz ZEXSHVGZAQIWQF-UHFFFAOYSA-N 1 3 372.550 2.604 20 0 FFADHO CC(C)(C)N1CCC([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 ZINC001256568991 1038564161 /nfs/dbraw/zinc/56/41/61/1038564161.db2.gz NBCKXDGBCCNLTN-UHFFFAOYSA-N 1 3 370.541 2.678 20 0 FFADHO CC(C)(C)[NH+]1CCC(N2CC[C@]3(CCN(c4cccnc4)C3=O)C2)CC1 ZINC001256571541 1038566042 /nfs/dbraw/zinc/56/60/42/1038566042.db2.gz BJACBJLBJZTPOX-NRFANRHFSA-N 1 3 356.514 2.773 20 0 FFADHO O=C1CCCN1C1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940506 1038595575 /nfs/dbraw/zinc/59/55/75/1038595575.db2.gz SMYJHDOMOSCSEA-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO O=C1CCCN1C1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940506 1038595577 /nfs/dbraw/zinc/59/55/77/1038595577.db2.gz SMYJHDOMOSCSEA-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ncc1Br ZINC001256682771 1038600473 /nfs/dbraw/zinc/60/04/73/1038600473.db2.gz PVYZBOBFBMSYHL-UHFFFAOYSA-N 1 3 368.319 2.886 20 0 FFADHO Brc1cnccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685152 1038601430 /nfs/dbraw/zinc/60/14/30/1038601430.db2.gz YONSOGDUAQMYJG-UHFFFAOYSA-N 1 3 354.292 2.577 20 0 FFADHO COCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209216571 1038717872 /nfs/dbraw/zinc/71/78/72/1038717872.db2.gz ZVLMPFUPSOSSTQ-RTWAWAEBSA-N 1 3 350.547 2.874 20 0 FFADHO COCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209216571 1038717881 /nfs/dbraw/zinc/71/78/81/1038717881.db2.gz ZVLMPFUPSOSSTQ-RTWAWAEBSA-N 1 3 350.547 2.874 20 0 FFADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)nn1C ZINC001279008518 1038767258 /nfs/dbraw/zinc/76/72/58/1038767258.db2.gz BLMRLLBPBRILGC-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)nn1C ZINC001279008518 1038767267 /nfs/dbraw/zinc/76/72/67/1038767267.db2.gz BLMRLLBPBRILGC-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO c1ccc(O[C@H]2CO[C@@]3(C2)CCC[N@@H+](CCCN2CCCCC2)C3)nc1 ZINC001209450561 1038876029 /nfs/dbraw/zinc/87/60/29/1038876029.db2.gz NGKIDGNCCTYILK-TZIWHRDSSA-N 1 3 359.514 2.960 20 0 FFADHO c1ccc(O[C@H]2CO[C@@]3(C2)CCC[N@H+](CCCN2CCCCC2)C3)nc1 ZINC001209450561 1038876054 /nfs/dbraw/zinc/87/60/54/1038876054.db2.gz NGKIDGNCCTYILK-TZIWHRDSSA-N 1 3 359.514 2.960 20 0 FFADHO c1cc([C@]23CC[NH2+][C@@H]2COCC3)ccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245423512 1039000192 /nfs/dbraw/zinc/00/01/92/1039000192.db2.gz IHVLJJSNZFKZOO-YTFSRNRJSA-N 1 3 368.521 2.975 20 0 FFADHO Cc1nn(CC[NH2+]C2CCN(CC(C)C)CC2)c(C)c1Br ZINC001258002528 1039103310 /nfs/dbraw/zinc/10/33/10/1039103310.db2.gz PPYAVVVQLZNLIB-UHFFFAOYSA-N 1 3 357.340 2.972 20 0 FFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001245981900 1039174255 /nfs/dbraw/zinc/17/42/55/1039174255.db2.gz CYIVYIZCMGTXKP-QGPMSJSTSA-N 1 3 353.466 2.920 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN[C@@]2(C)CCC[NH2+]CC2)cc1 ZINC001245987858 1039176110 /nfs/dbraw/zinc/17/61/10/1039176110.db2.gz CQUONSOBFHMABJ-NQIIRXRSSA-N 1 3 362.514 2.624 20 0 FFADHO O[C@H](CNCC[C@H]1CCCC[NH2+]1)COCc1c(Cl)cccc1Cl ZINC001246002538 1039184970 /nfs/dbraw/zinc/18/49/70/1039184970.db2.gz PIFJXOSNPPBICM-ZIAGYGMSSA-N 1 3 361.313 2.993 20 0 FFADHO C[C@@H]1[C@H](C[NH3+])CCCN1C[C@H](O)COCc1c(Cl)cccc1Cl ZINC001246023131 1039196856 /nfs/dbraw/zinc/19/68/56/1039196856.db2.gz OEWOLSRLQWLVLL-RDBSUJKOSA-N 1 3 361.313 2.930 20 0 FFADHO COc1cccc(OC)c1CN1CCC(NC[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246106025 1039243352 /nfs/dbraw/zinc/24/33/52/1039243352.db2.gz COEDCDUFZYRIHT-WMZOPIPTSA-N 1 3 361.530 2.646 20 0 FFADHO COc1cccc(OC)c1CN1CCC([NH2+]C[C@@H]2CC[C@H](C)CN2)CC1 ZINC001246106025 1039243362 /nfs/dbraw/zinc/24/33/62/1039243362.db2.gz COEDCDUFZYRIHT-WMZOPIPTSA-N 1 3 361.530 2.646 20 0 FFADHO COc1cccc(CC2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246373809 1039327949 /nfs/dbraw/zinc/32/79/49/1039327949.db2.gz CINSIEQRLWHUFS-RDJZCZTQSA-N 1 3 371.447 2.632 20 0 FFADHO Fc1ccc(CC2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246393709 1039335237 /nfs/dbraw/zinc/33/52/37/1039335237.db2.gz XNLMCIOUBYSEKH-CVEARBPZSA-N 1 3 359.411 2.763 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(OC(C)C)c2)C[C@H]1C ZINC001210033490 1039342954 /nfs/dbraw/zinc/34/29/54/1039342954.db2.gz QNUOOIFIQYAWQY-YLJYHZDGSA-N 1 3 361.530 2.752 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(OC(C)C)c2)C[C@H]1C ZINC001210033490 1039342969 /nfs/dbraw/zinc/34/29/69/1039342969.db2.gz QNUOOIFIQYAWQY-YLJYHZDGSA-N 1 3 361.530 2.752 20 0 FFADHO COc1cccc(C2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246414861 1039345820 /nfs/dbraw/zinc/34/58/20/1039345820.db2.gz JNQFHLLDJGGAMT-GOEBONIOSA-N 1 3 357.420 2.546 20 0 FFADHO Brc1cccc2c1C[C@@H](N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CC2 ZINC001246630183 1039421960 /nfs/dbraw/zinc/42/19/60/1039421960.db2.gz IIPMZXOFRBHONW-RVKKMQEKSA-N 1 3 365.315 2.617 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H](N3CC[C@@H]4[NH2+]CC[C@H]43)CC[C@H]2C1 ZINC001246640748 1039424579 /nfs/dbraw/zinc/42/45/79/1039424579.db2.gz HFJBUHIJSVKTHS-JRSUCEMESA-N 1 3 353.510 2.754 20 0 FFADHO CN(CCC[NH3+])[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246681351 1039437649 /nfs/dbraw/zinc/43/76/49/1039437649.db2.gz NSMMNWSHKCBIQE-OWCLPIDISA-N 1 3 370.534 2.735 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)CCN1 ZINC001246707180 1039444468 /nfs/dbraw/zinc/44/44/68/1039444468.db2.gz MZZTXWMUYXCRQA-RNQOJCNYSA-N 1 3 373.516 2.883 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)CCN1 ZINC001246707180 1039444476 /nfs/dbraw/zinc/44/44/76/1039444476.db2.gz MZZTXWMUYXCRQA-RNQOJCNYSA-N 1 3 373.516 2.883 20 0 FFADHO C[C@@H]1CC[C@@H](N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C[NH2+]1 ZINC001246721265 1039450512 /nfs/dbraw/zinc/45/05/12/1039450512.db2.gz KYKGCXMWRXBBJA-KURKYZTESA-N 1 3 363.571 2.944 20 0 FFADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCN1 ZINC001246745324 1039460507 /nfs/dbraw/zinc/46/05/07/1039460507.db2.gz GVPRGIOFQVFQEI-XCJLJZCSSA-N 1 3 359.514 2.720 20 0 FFADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCN1 ZINC001246745324 1039460517 /nfs/dbraw/zinc/46/05/17/1039460517.db2.gz GVPRGIOFQVFQEI-XCJLJZCSSA-N 1 3 359.514 2.720 20 0 FFADHO CNC(=O)N[C@H]1CC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756552 1039467629 /nfs/dbraw/zinc/46/76/29/1039467629.db2.gz LNLZYSJZDPCQIK-HLIPFELVSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@H]1CC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756552 1039467636 /nfs/dbraw/zinc/46/76/36/1039467636.db2.gz LNLZYSJZDPCQIK-HLIPFELVSA-N 1 3 370.541 2.843 20 0 FFADHO Clc1ccccc1CN1CCN(C2CCC3(CC2)C[NH2+]CCO3)CC1 ZINC001246784510 1039480802 /nfs/dbraw/zinc/48/08/02/1039480802.db2.gz XYYKEUGSHGKPJT-UHFFFAOYSA-N 1 3 363.933 2.759 20 0 FFADHO COc1cc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)ccc1C ZINC001210426187 1039539126 /nfs/dbraw/zinc/53/91/26/1039539126.db2.gz BMBYOYRCFAUAEF-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO C[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426307 1039541771 /nfs/dbraw/zinc/54/17/71/1039541771.db2.gz FQPGNARAXRKZQG-HUUCEWRRSA-N 1 3 351.457 2.887 20 0 FFADHO COC(=O)c1cccc([C@H]2CNCCN2[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001247017247 1039583040 /nfs/dbraw/zinc/58/30/40/1039583040.db2.gz SSAMBHRZCWXTHB-LEWJYISDSA-N 1 3 371.525 2.827 20 0 FFADHO COC(=O)c1cccc([C@H]2CNCCN2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001247017247 1039583057 /nfs/dbraw/zinc/58/30/57/1039583057.db2.gz SSAMBHRZCWXTHB-LEWJYISDSA-N 1 3 371.525 2.827 20 0 FFADHO CC(C)OC[C@@H](O)C[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001252697735 1039651685 /nfs/dbraw/zinc/65/16/85/1039651685.db2.gz ALIFSFQBPWIZBF-IBGZPJMESA-N 1 3 354.922 2.928 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+]Cc1c[nH]c2cc(Br)ccc12 ZINC001253209327 1040049238 /nfs/dbraw/zinc/04/92/38/1040049238.db2.gz AMNAFYRHWSIRIE-AWEZNQCLSA-N 1 3 354.292 2.723 20 0 FFADHO COCCn1cc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)cn1 ZINC001278712524 1040114458 /nfs/dbraw/zinc/11/44/58/1040114458.db2.gz AQJSLZQBXXTXKU-VQTJNVASSA-N 1 3 357.502 2.582 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1(Cc2ccccc2F)CCOCC1 ZINC001253410532 1040159122 /nfs/dbraw/zinc/15/91/22/1040159122.db2.gz KCFVDHANQWIKSW-KRWDZBQOSA-N 1 3 352.494 2.504 20 0 FFADHO CCN(CC)CCC[NH2+]C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253413479 1040160722 /nfs/dbraw/zinc/16/07/22/1040160722.db2.gz KEUFEVNJWPDLOE-LJQANCHMSA-N 1 3 364.530 2.823 20 0 FFADHO CCCCC[C@@H](O)CNCCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001253552404 1040236692 /nfs/dbraw/zinc/23/66/92/1040236692.db2.gz AAABJGCSSDZPMY-QGZVFWFLSA-N 1 3 359.555 2.754 20 0 FFADHO CCCCC[C@@H](O)CNCCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001253552404 1040236705 /nfs/dbraw/zinc/23/67/05/1040236705.db2.gz AAABJGCSSDZPMY-QGZVFWFLSA-N 1 3 359.555 2.754 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC001248468148 1040289032 /nfs/dbraw/zinc/28/90/32/1040289032.db2.gz AZBAVQFHPYKHAB-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213223856 1040351033 /nfs/dbraw/zinc/35/10/33/1040351033.db2.gz BYZHVSAENQANJV-RTBURBONSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1cc2c(cn1)[C@@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CC2 ZINC001254052451 1040553527 /nfs/dbraw/zinc/55/35/27/1040553527.db2.gz JFAZSVVFVXZOJX-NRFANRHFSA-N 1 3 351.494 2.994 20 0 FFADHO NCCC[NH2+]CCCCn1cc(COc2cccc3ccccc32)nn1 ZINC001254164876 1040591485 /nfs/dbraw/zinc/59/14/85/1040591485.db2.gz ZOULUNHDUHUVMK-UHFFFAOYSA-N 1 3 353.470 2.729 20 0 FFADHO C[N@@H+]1CCC[C@H](N[C@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254505957 1040757943 /nfs/dbraw/zinc/75/79/43/1040757943.db2.gz MJJAUHQGUXLGEF-QKLQHJQFSA-N 1 3 367.534 2.619 20 0 FFADHO C[N@H+]1CCC[C@H](N[C@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254505957 1040757958 /nfs/dbraw/zinc/75/79/58/1040757958.db2.gz MJJAUHQGUXLGEF-QKLQHJQFSA-N 1 3 367.534 2.619 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@H]1OC ZINC001213763307 1040884310 /nfs/dbraw/zinc/88/43/10/1040884310.db2.gz OACAQQKWUASHIG-DFQSSKMNSA-N 1 3 361.530 2.603 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@H]1OC ZINC001213763307 1040884315 /nfs/dbraw/zinc/88/43/15/1040884315.db2.gz OACAQQKWUASHIG-DFQSSKMNSA-N 1 3 361.530 2.603 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)C1 ZINC001254998414 1041093443 /nfs/dbraw/zinc/09/34/43/1041093443.db2.gz XKBLEWQDRLUOSB-DXWKEAIYSA-N 1 3 357.542 2.881 20 0 FFADHO CCOC(=O)C1CCC([NH+]2CCC(N(CC)[C@H]3CCOC3)CC2)CC1 ZINC001255265186 1041243323 /nfs/dbraw/zinc/24/33/23/1041243323.db2.gz LFBYGGIELVBDKT-TVPLGVNVSA-N 1 3 352.519 2.684 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001255337244 1041274240 /nfs/dbraw/zinc/27/42/40/1041274240.db2.gz INYWHIBEECRBSK-RTWAWAEBSA-N 1 3 373.541 2.646 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001214999652 1041639612 /nfs/dbraw/zinc/63/96/12/1041639612.db2.gz MTBLWELEAQJANG-NIKGAXFTSA-N 1 3 361.505 2.980 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)C(C)(C)[C@@H]3c3ccncc3)C[C@H]2C1 ZINC001262482883 1041700150 /nfs/dbraw/zinc/70/01/50/1041700150.db2.gz OUYYXAQHPTUFAP-MKXGPGLRSA-N 1 3 356.514 2.611 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccc(F)cc1F ZINC001215423987 1041777411 /nfs/dbraw/zinc/77/74/11/1041777411.db2.gz ZROFIPUORPIWBG-QWQRMKEZSA-N 1 3 353.457 2.804 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215541381 1041820419 /nfs/dbraw/zinc/82/04/19/1041820419.db2.gz ZXVVZVWGGJAYIL-JFDOBCTDSA-N 1 3 353.526 2.992 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(OC)ccc2Cl)C1 ZINC001216225655 1041983254 /nfs/dbraw/zinc/98/32/54/1041983254.db2.gz ITLZYYRJJAEXOC-RDTXWAMCSA-N 1 3 367.921 2.627 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(OC)ccc2Cl)C1 ZINC001216225655 1041983257 /nfs/dbraw/zinc/98/32/57/1041983257.db2.gz ITLZYYRJJAEXOC-RDTXWAMCSA-N 1 3 367.921 2.627 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2c(F)cccc2F)C1 ZINC001216852433 1042144525 /nfs/dbraw/zinc/14/45/25/1042144525.db2.gz ZNWKEADARGLNPK-DNVCBOLYSA-N 1 3 367.484 2.674 20 0 FFADHO C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001263918249 1042531188 /nfs/dbraw/zinc/53/11/88/1042531188.db2.gz VZQNPONKOIEQDE-DZGCQCFKSA-N 1 3 355.885 2.805 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001264100752 1042625895 /nfs/dbraw/zinc/62/58/95/1042625895.db2.gz GGRHVWRHRZSOHY-MJGOQNOKSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001264100752 1042625899 /nfs/dbraw/zinc/62/58/99/1042625899.db2.gz GGRHVWRHRZSOHY-MJGOQNOKSA-N 1 3 361.505 2.755 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001264559446 1042715771 /nfs/dbraw/zinc/71/57/71/1042715771.db2.gz FFBFKERPHKUMCC-MJGOQNOKSA-N 1 3 360.546 2.776 20 0 FFADHO C[C@@H](F)CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264596368 1042733662 /nfs/dbraw/zinc/73/36/62/1042733662.db2.gz RRRJKCLWNQHJPZ-ATZDWAIDSA-N 1 3 367.484 2.800 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C)N(CC)CC ZINC001264718807 1042800486 /nfs/dbraw/zinc/80/04/86/1042800486.db2.gz BABMFVRWBTYHMN-NEWSRXKRSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C)N(CC)CC ZINC001264718807 1042800490 /nfs/dbraw/zinc/80/04/90/1042800490.db2.gz BABMFVRWBTYHMN-NEWSRXKRSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@H]1C[C@@H]1CN1CC2(CCN2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001279268408 1042975277 /nfs/dbraw/zinc/97/52/77/1042975277.db2.gz BHYFOYMKXSGBLO-AZUAARDMSA-N 1 3 357.542 2.933 20 0 FFADHO CCn1ccnc1CN1CC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001279275527 1042979184 /nfs/dbraw/zinc/97/91/84/1042979184.db2.gz SJOLYHGHUCLBLI-UHFFFAOYSA-N 1 3 359.562 2.677 20 0 FFADHO Cc1cc(OC(F)(F)F)ccc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001279341020 1043012850 /nfs/dbraw/zinc/01/28/50/1043012850.db2.gz FMRNWTSGFBCYRL-UHFFFAOYSA-N 1 3 371.447 2.963 20 0 FFADHO Cc1ccc([C@@H](C)CCN2CCC[C@@]3(C2)CN(CC[NH+](C)C)CCO3)o1 ZINC001279490171 1043176454 /nfs/dbraw/zinc/17/64/54/1043176454.db2.gz PQGSRCRGSSYVIQ-GHTZIAJQSA-N 1 3 363.546 2.810 20 0 FFADHO COC(C)(C)CCC[C@@H](C)CCN1C[C@@H]2CN(CC[NH+](C)C)C[C@H](C1)O2 ZINC001279495544 1043182668 /nfs/dbraw/zinc/18/26/68/1043182668.db2.gz SZXYWZASNAFASL-AQNXPRMDSA-N 1 3 369.594 2.555 20 0 FFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cc(F)c(F)cc3N)(C1)CCC2 ZINC001279497856 1043189586 /nfs/dbraw/zinc/18/95/86/1043189586.db2.gz OJVZBCFNJZOMQP-RBUKOAKNSA-N 1 3 352.473 2.633 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2CC1 ZINC001279595364 1043311926 /nfs/dbraw/zinc/31/19/26/1043311926.db2.gz PGTQIVAHIPUKQW-CALCHBBNSA-N 1 3 357.489 2.544 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@H]2CC1 ZINC001279595364 1043311934 /nfs/dbraw/zinc/31/19/34/1043311934.db2.gz PGTQIVAHIPUKQW-CALCHBBNSA-N 1 3 357.489 2.544 20 0 FFADHO CN(C)c1ccccc1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001279620651 1043354024 /nfs/dbraw/zinc/35/40/24/1043354024.db2.gz WKVYMZVWCNCTGX-UHFFFAOYSA-N 1 3 353.514 2.547 20 0 FFADHO CC(C)C1=NCCc2ccc(CN3CC[NH+](C4CCOCC4)CC3)cc21 ZINC001237877655 1043411297 /nfs/dbraw/zinc/41/12/97/1043411297.db2.gz BGFHHTVIKBJPJW-UHFFFAOYSA-N 1 3 355.526 2.984 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(OC(F)F)cc1F)CC2 ZINC001279659366 1043417980 /nfs/dbraw/zinc/41/79/80/1043417980.db2.gz OTIOSXGJZYXODF-UHFFFAOYSA-N 1 3 371.447 2.887 20 0 FFADHO CN1CCO[C@@]2(CCCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001278176397 1043484573 /nfs/dbraw/zinc/48/45/73/1043484573.db2.gz VRLBAASPEQECRU-YADHBBJMSA-N 1 3 357.542 2.695 20 0 FFADHO CN1CCO[C@@]2(CCCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001278176397 1043484580 /nfs/dbraw/zinc/48/45/80/1043484580.db2.gz VRLBAASPEQECRU-YADHBBJMSA-N 1 3 357.542 2.695 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1C(F)F ZINC001279707055 1043503479 /nfs/dbraw/zinc/50/34/79/1043503479.db2.gz VVQCOYCFAALMTP-IRXDYDNUSA-N 1 3 353.457 2.843 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1C(F)F ZINC001279707055 1043503488 /nfs/dbraw/zinc/50/34/88/1043503488.db2.gz VVQCOYCFAALMTP-IRXDYDNUSA-N 1 3 353.457 2.843 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1)[NH+]1CCCC1 ZINC001316598172 1043539356 /nfs/dbraw/zinc/53/93/56/1043539356.db2.gz YVXQFAIEOPTVBG-KURKYZTESA-N 1 3 364.559 2.781 20 0 FFADHO CC1(C)CC[N@H+](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001311562015 1043937322 /nfs/dbraw/zinc/93/73/22/1043937322.db2.gz COWYNEWUEJLYEJ-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CC1(C)CC[N@@H+](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001311562015 1043937328 /nfs/dbraw/zinc/93/73/28/1043937328.db2.gz COWYNEWUEJLYEJ-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001311770373 1043974795 /nfs/dbraw/zinc/97/47/95/1043974795.db2.gz PDALFKFMJKTSLB-XJKSGUPXSA-N 1 3 374.451 2.948 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc(Cl)c1Cl ZINC001239214778 1044072284 /nfs/dbraw/zinc/07/22/84/1044072284.db2.gz HRPRFIHTAFHVNP-NSHDSACASA-N 1 3 357.285 2.989 20 0 FFADHO O=C(NCc1ccc(Cl)cc1Cl)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217524 1044073734 /nfs/dbraw/zinc/07/37/34/1044073734.db2.gz SNSNVNLGNWBMFR-AWEZNQCLSA-N 1 3 371.312 2.667 20 0 FFADHO Cc1cccc(Cl)c1NC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239362751 1044103814 /nfs/dbraw/zinc/10/38/14/1044103814.db2.gz KABHTAXTIMWAQM-CYBMUJFWSA-N 1 3 352.935 2.809 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC[C@]2(CCCN(C[C@@H]3COCCO3)C2)C1 ZINC001280028592 1044104025 /nfs/dbraw/zinc/10/40/25/1044104025.db2.gz NBACEPZXPIWVPB-MJGOQNOKSA-N 1 3 365.543 2.545 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC[C@]2(CCCN(C[C@@H]3COCCO3)C2)C1 ZINC001280028592 1044104033 /nfs/dbraw/zinc/10/40/33/1044104033.db2.gz NBACEPZXPIWVPB-MJGOQNOKSA-N 1 3 365.543 2.545 20 0 FFADHO NCCC[NH2+]CCCNC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC001239395883 1044111401 /nfs/dbraw/zinc/11/14/01/1044111401.db2.gz ATXGNGZAVZVIES-UHFFFAOYSA-N 1 3 372.538 2.881 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)N(C)C)cc1 ZINC001312818373 1044176263 /nfs/dbraw/zinc/17/62/63/1044176263.db2.gz MGCLLXLAGQVADE-ACRUOGEOSA-N 1 3 372.557 2.833 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)N(C)C)cc1 ZINC001312818373 1044176268 /nfs/dbraw/zinc/17/62/68/1044176268.db2.gz MGCLLXLAGQVADE-ACRUOGEOSA-N 1 3 372.557 2.833 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313188602 1044264677 /nfs/dbraw/zinc/26/46/77/1044264677.db2.gz XMPNVQCQQDMNNP-VQTJNVASSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313188602 1044264692 /nfs/dbraw/zinc/26/46/92/1044264692.db2.gz XMPNVQCQQDMNNP-VQTJNVASSA-N 1 3 358.530 2.600 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001313187131 1044265176 /nfs/dbraw/zinc/26/51/76/1044265176.db2.gz RRPOFBYUHPJBPV-HXUWFJFHSA-N 1 3 360.546 2.943 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313188600 1044265853 /nfs/dbraw/zinc/26/58/53/1044265853.db2.gz XMPNVQCQQDMNNP-PMACEKPBSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313188600 1044265865 /nfs/dbraw/zinc/26/58/65/1044265865.db2.gz XMPNVQCQQDMNNP-PMACEKPBSA-N 1 3 358.530 2.600 20 0 FFADHO CN1CCN(Cc2cccc(-c3ccc(N4CC[NH2+]CC4)cc3)c2)CC1 ZINC001240298023 1044303940 /nfs/dbraw/zinc/30/39/40/1044303940.db2.gz GEIWPOQEWNPJDN-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO CC[NH+](CC)[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001313652915 1044402409 /nfs/dbraw/zinc/40/24/09/1044402409.db2.gz ZZUPKDTUHTYRBN-SFHVURJKSA-N 1 3 364.582 2.910 20 0 FFADHO CN1CCN(c2ccc(-c3cccc(CN4CC[C@@H]([NH3+])C4)c3)cc2)CC1 ZINC001240855635 1044452208 /nfs/dbraw/zinc/45/22/08/1044452208.db2.gz ZSPGRZXIRFPOTO-OAQYLSRUSA-N 1 3 350.510 2.638 20 0 FFADHO CCN1CCN(c2ccc(-c3c[nH+]ccc3N3CCOCC3)cc2)CC1 ZINC001241743941 1044583871 /nfs/dbraw/zinc/58/38/71/1044583871.db2.gz VXBVODCUQLTKIQ-UHFFFAOYSA-N 1 3 352.482 2.727 20 0 FFADHO Cc1cc(CN2CCC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)CC2)oc1C ZINC001280331345 1044619573 /nfs/dbraw/zinc/61/95/73/1044619573.db2.gz ZRIJTJVKQIYSIO-LJQANCHMSA-N 1 3 359.514 2.709 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cccc(Cl)n1 ZINC001316705883 1044777444 /nfs/dbraw/zinc/77/74/44/1044777444.db2.gz JBPAECBBRUHOTO-WBVHZDCISA-N 1 3 366.937 2.794 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cccc(Cl)n1 ZINC001316705883 1044777454 /nfs/dbraw/zinc/77/74/54/1044777454.db2.gz JBPAECBBRUHOTO-WBVHZDCISA-N 1 3 366.937 2.794 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2sccc2Cl)C2CC2)CC[N@@H+]1C ZINC001317013447 1045050263 /nfs/dbraw/zinc/05/02/63/1045050263.db2.gz OBKHZNCPDJUSNR-UXIGCNINSA-N 1 3 355.935 2.726 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2sccc2Cl)C2CC2)CC[N@H+]1C ZINC001317013447 1045050275 /nfs/dbraw/zinc/05/02/75/1045050275.db2.gz OBKHZNCPDJUSNR-UXIGCNINSA-N 1 3 355.935 2.726 20 0 FFADHO Cc1ccc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c(Cl)c1 ZINC001317012993 1045050550 /nfs/dbraw/zinc/05/05/50/1045050550.db2.gz MEEBNQWMFWKISO-LSBZLQRGSA-N 1 3 363.933 2.973 20 0 FFADHO Cc1ccc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c(Cl)c1 ZINC001317012993 1045050564 /nfs/dbraw/zinc/05/05/64/1045050564.db2.gz MEEBNQWMFWKISO-LSBZLQRGSA-N 1 3 363.933 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(Cl)cc2OC)CC[N@@H+]1C ZINC001317241387 1045069155 /nfs/dbraw/zinc/06/91/55/1045069155.db2.gz KJQYVMAUVPQOHK-XOKHGSTOSA-N 1 3 367.921 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(Cl)cc2OC)CC[N@H+]1C ZINC001317241387 1045069163 /nfs/dbraw/zinc/06/91/63/1045069163.db2.gz KJQYVMAUVPQOHK-XOKHGSTOSA-N 1 3 367.921 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCc3c2cc(F)cc3F)CC[N@@H+]1C ZINC001317588416 1045113141 /nfs/dbraw/zinc/11/31/41/1045113141.db2.gz GZYFWQGNCPEDHL-ZYSHUDEJSA-N 1 3 365.468 2.730 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCc3c2cc(F)cc3F)CC[N@H+]1C ZINC001317588416 1045113147 /nfs/dbraw/zinc/11/31/47/1045113147.db2.gz GZYFWQGNCPEDHL-ZYSHUDEJSA-N 1 3 365.468 2.730 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)cc2)cn1 ZINC001321500791 1045686516 /nfs/dbraw/zinc/68/65/16/1045686516.db2.gz LFAQEIRCHJWRSR-VXKWHMMOSA-N 1 3 368.525 2.945 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)cc(OC)c3)CC2)CC1 ZINC001326756703 1047071616 /nfs/dbraw/zinc/07/16/16/1047071616.db2.gz ZEURGWUUXFPEID-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC001332070280 1048234351 /nfs/dbraw/zinc/23/43/51/1048234351.db2.gz MJMUVMOAQBEEPL-NRFANRHFSA-N 1 3 351.494 2.927 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001290867041 1048461917 /nfs/dbraw/zinc/46/19/17/1048461917.db2.gz IAWWVLZHIVGLSG-SFHVURJKSA-N 1 3 374.577 2.773 20 0 FFADHO C[C@H](NCC[Si](C)(C)CC[NH2+][C@@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC001328864063 1048493922 /nfs/dbraw/zinc/49/39/22/1048493922.db2.gz FJHBOFPAYOJXCJ-HOTGVXAUSA-N 1 3 362.598 2.863 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001333796585 1049122840 /nfs/dbraw/zinc/12/28/40/1049122840.db2.gz WWUXOGSZTFVTTE-QGZVFWFLSA-N 1 3 360.498 2.935 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC1 ZINC001295028868 1049865770 /nfs/dbraw/zinc/86/57/70/1049865770.db2.gz ZNJQDODJVQIUSX-GOSISDBHSA-N 1 3 359.514 2.710 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001295996849 1050010234 /nfs/dbraw/zinc/01/02/34/1050010234.db2.gz OJSYQHXDEIRWMN-CVEARBPZSA-N 1 3 360.550 2.559 20 0 FFADHO CC[N@@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001296043332 1050014980 /nfs/dbraw/zinc/01/49/80/1050014980.db2.gz UZHUNWFQFWBJKC-QGZVFWFLSA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001296043332 1050014985 /nfs/dbraw/zinc/01/49/85/1050014985.db2.gz UZHUNWFQFWBJKC-QGZVFWFLSA-N 1 3 374.577 2.808 20 0 FFADHO CCCN(C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CCN(Cc2ccccc2)CC1 ZINC001341520968 1050153110 /nfs/dbraw/zinc/15/31/10/1050153110.db2.gz GVCCQZMGZQHXKS-QHAWAJNXSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@H]1CCN(C(=O)C2(C3CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC001341619489 1050246201 /nfs/dbraw/zinc/24/62/01/1050246201.db2.gz NDPXIMAREYBWMX-SFHVURJKSA-N 1 3 355.526 2.889 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)N(C)C)cc1 ZINC001341629966 1050257351 /nfs/dbraw/zinc/25/73/51/1050257351.db2.gz NRYUEOLFBRGDCB-IVAOSVALSA-N 1 3 373.541 2.515 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC001341805149 1050417336 /nfs/dbraw/zinc/41/73/36/1050417336.db2.gz FQZVBXPRNDQGBA-OAQYLSRUSA-N 1 3 367.493 2.763 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001341887128 1050489597 /nfs/dbraw/zinc/48/95/97/1050489597.db2.gz FVFSBOBDPMWEPD-MRXNPFEDSA-N 1 3 356.514 2.503 20 0 FFADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)CNCC2 ZINC001340771923 1051124168 /nfs/dbraw/zinc/12/41/68/1051124168.db2.gz BIYLTIODWOFBDH-UHFFFAOYSA-N 1 3 355.507 2.788 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3(C4CC[NH2+]CC4)CC3)cc2)CC1 ZINC001340896737 1051225385 /nfs/dbraw/zinc/22/53/85/1051225385.db2.gz YTFUAKYRZONBLL-UHFFFAOYSA-N 1 3 356.514 2.547 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3C[NH3+])cc2)CC1 ZINC001343234910 1052090269 /nfs/dbraw/zinc/09/02/69/1052090269.db2.gz XMFLMQZYPIOKJN-UHFFFAOYSA-N 1 3 352.482 2.928 20 0 FFADHO CC[C@@H](C)C[C@H](N)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001344890725 1052104264 /nfs/dbraw/zinc/10/42/64/1052104264.db2.gz PUNIAKYTJSJKFE-MJGOQNOKSA-N 1 3 361.530 2.547 20 0 FFADHO CC[C@@H](C)C[C@H](N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001344890725 1052104268 /nfs/dbraw/zinc/10/42/68/1052104268.db2.gz PUNIAKYTJSJKFE-MJGOQNOKSA-N 1 3 361.530 2.547 20 0 FFADHO CC(C)C[C@@H]([NH3+])CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001343438370 1052233038 /nfs/dbraw/zinc/23/30/38/1052233038.db2.gz DEJWRNFRMYGLAZ-QGZVFWFLSA-N 1 3 365.493 2.549 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CCSCCC[NH3+])c(C)c2)CC1 ZINC001343444826 1052237443 /nfs/dbraw/zinc/23/74/43/1052237443.db2.gz MPQLLBYGEOGSPN-UHFFFAOYSA-N 1 3 364.559 2.548 20 0 FFADHO CN1CCC[C@H](c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC2CC2)C1 ZINC001345100568 1052257064 /nfs/dbraw/zinc/25/70/64/1052257064.db2.gz WMYYJZXGIMRRHY-OALUTQOASA-N 1 3 372.561 2.562 20 0 FFADHO CN(C)C[C@H](NC(=O)COc1ccc(CCC[NH3+])cc1)c1ccc(F)cc1 ZINC001343807209 1052430408 /nfs/dbraw/zinc/43/04/08/1052430408.db2.gz OTSLLQJICGZHJN-FQEVSTJZSA-N 1 3 373.472 2.515 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC001308331681 1052446964 /nfs/dbraw/zinc/44/69/64/1052446964.db2.gz WECMVJDSIVNIQQ-FGZHOGPDSA-N 1 3 357.542 2.618 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC001308331685 1052447386 /nfs/dbraw/zinc/44/73/86/1052447386.db2.gz WECMVJDSIVNIQQ-VXKWHMMOSA-N 1 3 357.542 2.618 20 0 FFADHO CC(C)(C)[C@@]1(C[N@@H+]2CC[C@H](NC(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001308604518 1052476044 /nfs/dbraw/zinc/47/60/44/1052476044.db2.gz ZLLANHUCCNWLTH-GHTZIAJQSA-N 1 3 358.530 2.667 20 0 FFADHO CC(C)(C)[C@@]1(C[N@H+]2CC[C@H](NC(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001308604518 1052476046 /nfs/dbraw/zinc/47/60/46/1052476046.db2.gz ZLLANHUCCNWLTH-GHTZIAJQSA-N 1 3 358.530 2.667 20 0 FFADHO O=C(CN[C@H]1CCc2cccc(Cl)c2C1)NCC[NH+]1CCCCCC1 ZINC001308791962 1052500215 /nfs/dbraw/zinc/50/02/15/1052500215.db2.gz FZPGPXSAKNXNLW-KRWDZBQOSA-N 1 3 363.933 2.779 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](Cc4ccccc4)CC3=O)C[C@@H]2C1 ZINC001334748739 1053058715 /nfs/dbraw/zinc/05/87/15/1053058715.db2.gz RESIQBDYGDHIGO-MXEMCNAFSA-N 1 3 355.526 2.697 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC001335393102 1053333442 /nfs/dbraw/zinc/33/34/42/1053333442.db2.gz CKIWAQXEUUNMDW-ZDUSSCGKSA-N 1 3 354.292 2.709 20 0 FFADHO CC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC001335393102 1053333458 /nfs/dbraw/zinc/33/34/58/1053333458.db2.gz CKIWAQXEUUNMDW-ZDUSSCGKSA-N 1 3 354.292 2.709 20 0 FFADHO CCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC001335393102 1053333471 /nfs/dbraw/zinc/33/34/71/1053333471.db2.gz CKIWAQXEUUNMDW-ZDUSSCGKSA-N 1 3 354.292 2.709 20 0 FFADHO COc1ccc2nccc(N3CCC(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC001336476237 1054014907 /nfs/dbraw/zinc/01/49/07/1054014907.db2.gz GIHHIAHDKRCZJV-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC[NH+](C)CC3)n2CC(C)C)C[C@@H]1C ZINC001347680129 1054222324 /nfs/dbraw/zinc/22/23/24/1054222324.db2.gz MDPFXTOWHJJLID-IRXDYDNUSA-N 1 3 362.566 2.662 20 0 FFADHO O[C@H](CNCC1(Cc2ccc(Br)cc2)CC1)C[NH+]1CCCC1 ZINC001338417976 1055492854 /nfs/dbraw/zinc/49/28/54/1055492854.db2.gz KDNRYYNXMTVLOJ-QGZVFWFLSA-N 1 3 367.331 2.818 20 0 FFADHO CC[NH+](CC)CC[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2N)c1ccccc1 ZINC001356500081 1055539218 /nfs/dbraw/zinc/53/92/18/1055539218.db2.gz YDMRYRHDRUEUGD-ROUUACIJSA-N 1 3 369.513 2.880 20 0 FFADHO CN(C)[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000849053554 1055602429 /nfs/dbraw/zinc/60/24/29/1055602429.db2.gz VTEMSHFOEVJZDJ-IBGZPJMESA-N 1 3 369.513 2.661 20 0 FFADHO COc1ccc(CCNC(=[NH2+])NCC2(N(C)C)CCCCC2)cc1OC ZINC000849053277 1055602739 /nfs/dbraw/zinc/60/27/39/1055602739.db2.gz TVCGSIUZOMPYBD-UHFFFAOYSA-N 1 3 362.518 2.625 20 0 FFADHO COCc1nc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000849085539 1055633612 /nfs/dbraw/zinc/63/36/12/1055633612.db2.gz SCQQQOYJSCXKEV-UHFFFAOYSA-N 1 3 373.526 2.568 20 0 FFADHO CC(C)OC(=O)CC[C@H](C)NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849094717 1055637447 /nfs/dbraw/zinc/63/74/47/1055637447.db2.gz QYTADQJRWGXWBM-KRWDZBQOSA-N 1 3 374.529 2.885 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001338887910 1055905403 /nfs/dbraw/zinc/90/54/03/1055905403.db2.gz POVODLUNGVIZCP-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO O[C@H](CN1CCCC2(CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC001350909074 1055994134 /nfs/dbraw/zinc/99/41/34/1055994134.db2.gz HQYIAZUIKKJDKX-MRXNPFEDSA-N 1 3 353.304 2.948 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)c2ccccc2O1 ZINC000847573849 1056078647 /nfs/dbraw/zinc/07/86/47/1056078647.db2.gz RXXCDKFTQSCDEM-IBGZPJMESA-N 1 3 367.493 2.760 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC001353313941 1056289290 /nfs/dbraw/zinc/28/92/90/1056289290.db2.gz DSIRLOYJBIDWNS-NVXWUHKLSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC001353313941 1056289307 /nfs/dbraw/zinc/28/93/07/1056289307.db2.gz DSIRLOYJBIDWNS-NVXWUHKLSA-N 1 3 354.922 2.928 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001353677345 1056629246 /nfs/dbraw/zinc/62/92/46/1056629246.db2.gz HFYHKZGUQUHBNM-FCEWJHQRSA-N 1 3 357.498 2.646 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001353677345 1056629250 /nfs/dbraw/zinc/62/92/50/1056629250.db2.gz HFYHKZGUQUHBNM-FCEWJHQRSA-N 1 3 357.498 2.646 20 0 FFADHO C[C@](O)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000849098765 1056757731 /nfs/dbraw/zinc/75/77/31/1056757731.db2.gz WIYJTTHZEZJTGN-FQEVSTJZSA-N 1 3 372.538 2.734 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001502245831 1058788138 /nfs/dbraw/zinc/78/81/38/1058788138.db2.gz VYUHAFGSQWNXMV-ZIFCJYIRSA-N 1 3 362.566 2.626 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001502250329 1058791735 /nfs/dbraw/zinc/79/17/35/1058791735.db2.gz WPMIGGPYKPZDKG-PMPSAXMXSA-N 1 3 374.533 2.716 20 0 FFADHO CCN(C)[C@H](C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC001454261482 1059475592 /nfs/dbraw/zinc/47/55/92/1059475592.db2.gz PHRPZASIRNWADN-SFTDATJTSA-N 1 3 369.484 2.862 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2ccncc2Cl)CC[N@@H+]1C ZINC001506921792 1059577273 /nfs/dbraw/zinc/57/72/73/1059577273.db2.gz KCFCHGHSTHMUTR-QILLFSRXSA-N 1 3 366.937 2.840 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2ccncc2Cl)CC[N@H+]1C ZINC001506921792 1059577289 /nfs/dbraw/zinc/57/72/89/1059577289.db2.gz KCFCHGHSTHMUTR-QILLFSRXSA-N 1 3 366.937 2.840 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001547208971 1071931694 /nfs/dbraw/zinc/93/16/94/1071931694.db2.gz ACRSUKWBUQUGQZ-SFHVURJKSA-N 1 3 374.577 2.950 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001547208971 1071931699 /nfs/dbraw/zinc/93/16/99/1071931699.db2.gz ACRSUKWBUQUGQZ-SFHVURJKSA-N 1 3 374.577 2.950 20 0 FFADHO C[C@H](CC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001355231040 1060012099 /nfs/dbraw/zinc/01/20/99/1060012099.db2.gz CUXGTJDUKFQOKH-AKHDSKFASA-N 1 3 371.525 2.521 20 0 FFADHO C[C@H](CC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001355231041 1060014262 /nfs/dbraw/zinc/01/42/62/1060014262.db2.gz CUXGTJDUKFQOKH-XWSJACJDSA-N 1 3 371.525 2.521 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC001457606132 1060410662 /nfs/dbraw/zinc/41/06/62/1060410662.db2.gz KQUPWNFVBWNAHD-FQEVSTJZSA-N 1 3 361.530 2.973 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc2n(n1)CCC[C@H]2N)c1ccccc1 ZINC001521476564 1060611479 /nfs/dbraw/zinc/61/14/79/1060611479.db2.gz LEXDCRSBOBOHGT-GOEBONIOSA-N 1 3 355.486 2.536 20 0 FFADHO C[NH+]1CCN(c2ccc(CNCc3cc(Cl)cc4c3OCC4)cn2)CC1 ZINC001461021679 1061188895 /nfs/dbraw/zinc/18/88/95/1061188895.db2.gz JPWRPPCGSXMXOW-UHFFFAOYSA-N 1 3 372.900 2.712 20 0 FFADHO CC(C)[C@@H](CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001477288434 1061653014 /nfs/dbraw/zinc/65/30/14/1061653014.db2.gz RSMTVLXEIZKOQH-UYAOXDASSA-N 1 3 364.578 2.869 20 0 FFADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 ZINC001462673560 1061718860 /nfs/dbraw/zinc/71/88/60/1061718860.db2.gz XQFYWAQZRCLYJY-PWRODBHTSA-N 1 3 371.525 2.965 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001478597205 1062063155 /nfs/dbraw/zinc/06/31/55/1062063155.db2.gz XTNZCZIPKRHJCB-ACBHZAAOSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001478597205 1062063177 /nfs/dbraw/zinc/06/31/77/1062063177.db2.gz XTNZCZIPKRHJCB-ACBHZAAOSA-N 1 3 350.551 2.767 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001478984766 1062172911 /nfs/dbraw/zinc/17/29/11/1062172911.db2.gz SITMAKAOWXBNQU-SFHVURJKSA-N 1 3 350.551 2.909 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001478984766 1062172925 /nfs/dbraw/zinc/17/29/25/1062172925.db2.gz SITMAKAOWXBNQU-SFHVURJKSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001478990981 1062174816 /nfs/dbraw/zinc/17/48/16/1062174816.db2.gz WQSWROLWOYKHCF-CVEARBPZSA-N 1 3 372.435 2.702 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001478990981 1062174829 /nfs/dbraw/zinc/17/48/29/1062174829.db2.gz WQSWROLWOYKHCF-CVEARBPZSA-N 1 3 372.435 2.702 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1)N1CCCC1 ZINC001479470465 1062443501 /nfs/dbraw/zinc/44/35/01/1062443501.db2.gz SYPCZOLGNDNBDV-VQTJNVASSA-N 1 3 357.542 2.978 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)NCc2cc(O)ccc2Cl)CC[N@@H+]1C ZINC001480765692 1063071496 /nfs/dbraw/zinc/07/14/96/1063071496.db2.gz RGIHAJQJDULOAG-RPVQJOFSSA-N 1 3 367.921 2.760 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)NCc2cc(O)ccc2Cl)CC[N@H+]1C ZINC001480765692 1063071520 /nfs/dbraw/zinc/07/15/20/1063071520.db2.gz RGIHAJQJDULOAG-RPVQJOFSSA-N 1 3 367.921 2.760 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001441316469 1063419507 /nfs/dbraw/zinc/41/95/07/1063419507.db2.gz YKQYPRPNLURTAV-SJORKVTESA-N 1 3 353.576 2.585 20 0 FFADHO Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001470772550 1064447505 /nfs/dbraw/zinc/44/75/05/1064447505.db2.gz QXEONJJPGJMCIC-PZJWPPBQSA-N 1 3 374.573 2.984 20 0 FFADHO Cc1ccccc1C[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001470772550 1064447510 /nfs/dbraw/zinc/44/75/10/1064447510.db2.gz QXEONJJPGJMCIC-PZJWPPBQSA-N 1 3 374.573 2.984 20 0 FFADHO CC(C)(CNC(=O)[C@H]1C[NH2+]CCC12CCC2)N1CCc2ccccc2C1 ZINC001575319858 1078128808 /nfs/dbraw/zinc/12/88/08/1078128808.db2.gz JQJOYPLELMBNQJ-LJQANCHMSA-N 1 3 355.526 2.719 20 0 FFADHO O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1CCN(CC2CCCCC2)CC1 ZINC001472499792 1065081189 /nfs/dbraw/zinc/08/11/89/1065081189.db2.gz FTODLVXSVITAHG-LJQANCHMSA-N 1 3 356.514 2.632 20 0 FFADHO CC(C)c1nnc(N2CC[NH2+][C@@H](C)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001575883520 1078173054 /nfs/dbraw/zinc/17/30/54/1078173054.db2.gz BXJOMLDFAHIKBQ-GJZGRUSLSA-N 1 3 362.547 2.564 20 0 FFADHO C[C@H]1CN(CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)CN1CCO ZINC001473564100 1065286299 /nfs/dbraw/zinc/28/62/99/1065286299.db2.gz IYTRXXDOESBNBF-SFTDATJTSA-N 1 3 373.585 2.718 20 0 FFADHO C[C@@H]1CN(CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)CN1CCO ZINC001473564097 1065286378 /nfs/dbraw/zinc/28/63/78/1065286378.db2.gz IYTRXXDOESBNBF-LEWJYISDSA-N 1 3 373.585 2.718 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC001474618268 1065563469 /nfs/dbraw/zinc/56/34/69/1065563469.db2.gz PYOYOWUOGAGDAD-UHFFFAOYSA-N 1 3 355.482 2.651 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC001474643665 1065567637 /nfs/dbraw/zinc/56/76/37/1065567637.db2.gz WNJJYTIBCFAJHI-MOMVYJMYSA-N 1 3 363.546 2.543 20 0 FFADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001576895353 1078285392 /nfs/dbraw/zinc/28/53/92/1078285392.db2.gz BGRJOYXHDUJBJP-FUHWJXTLSA-N 1 3 359.514 2.518 20 0 FFADHO CCC(C)(C)Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(CC(C)C)CC1 ZINC001576940284 1078288314 /nfs/dbraw/zinc/28/83/14/1078288314.db2.gz DIVUFFHJEDNLOG-CALCHBBNSA-N 1 3 362.566 2.697 20 0 FFADHO CCC[C@H](C)CN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1CCN1CC=CCC1 ZINC001577340846 1078339831 /nfs/dbraw/zinc/33/98/31/1078339831.db2.gz LDLYKLCMLBGNKF-RBUKOAKNSA-N 1 3 374.577 2.879 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CNC[C@H](c2ccccc2)C(F)(F)F)cnn1C ZINC001579530972 1078639886 /nfs/dbraw/zinc/63/98/86/1078639886.db2.gz ZWRAHRHBYPNIBT-RHSMWYFYSA-N 1 3 354.420 2.782 20 0 FFADHO CN1C[C@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)[C@@H](c2ccccc2)C1 ZINC001549173950 1073675739 /nfs/dbraw/zinc/67/57/39/1073675739.db2.gz RLXLHMVPFUEZKV-KSEOMHKRSA-N 1 3 357.542 2.565 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(C(F)F)nc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422652 1074261246 /nfs/dbraw/zinc/26/12/46/1074261246.db2.gz BDDIOWILLIODJG-NTDBWNAOSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(C(F)F)nc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422652 1074261254 /nfs/dbraw/zinc/26/12/54/1074261254.db2.gz BDDIOWILLIODJG-NTDBWNAOSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3nc4ccccc4nc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550664504 1074424020 /nfs/dbraw/zinc/42/40/20/1074424020.db2.gz KPERPVNYDPJGMJ-GBAJDQEWSA-N 1 3 368.525 2.898 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3nc4ccccc4nc3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550664504 1074424023 /nfs/dbraw/zinc/42/40/23/1074424023.db2.gz KPERPVNYDPJGMJ-GBAJDQEWSA-N 1 3 368.525 2.898 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)c2cccs2)CC1 ZINC001551601184 1074769093 /nfs/dbraw/zinc/76/90/93/1074769093.db2.gz LRCRRFORWNAJIU-QZDWLRDRSA-N 1 3 362.543 2.700 20 0 FFADHO CC(C)(CNC(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC001552150543 1075003394 /nfs/dbraw/zinc/00/33/94/1075003394.db2.gz BLQKNXCLWYPZOJ-PMACEKPBSA-N 1 3 355.526 2.575 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552154187 1075004837 /nfs/dbraw/zinc/00/48/37/1075004837.db2.gz RNBCDYHVQCLCPA-QMMLZNLJSA-N 1 3 355.526 2.745 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001552241724 1075030112 /nfs/dbraw/zinc/03/01/12/1075030112.db2.gz HEBMFSXNFWUPFC-SFTDATJTSA-N 1 3 351.494 2.710 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001552241724 1075030116 /nfs/dbraw/zinc/03/01/16/1075030116.db2.gz HEBMFSXNFWUPFC-SFTDATJTSA-N 1 3 351.494 2.710 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001552393527 1075071931 /nfs/dbraw/zinc/07/19/31/1075071931.db2.gz BUVWVIAMTKEOJG-DSKINZAPSA-N 1 3 367.468 2.870 20 0 FFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC001553024994 1075201155 /nfs/dbraw/zinc/20/11/55/1075201155.db2.gz URHHTFPYJMXPFU-RCLSDMTESA-N 1 3 360.546 2.872 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3C[C@@H]3Cc3ccccc3)CC2)CC1 ZINC001553092710 1075222123 /nfs/dbraw/zinc/22/21/23/1075222123.db2.gz LCTNMDMSTDAFAN-VQTJNVASSA-N 1 3 369.553 2.930 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cc(C(=O)OC)oc2C)CC1 ZINC001559660062 1076180532 /nfs/dbraw/zinc/18/05/32/1076180532.db2.gz IJTJJBVTYUAZLJ-UHFFFAOYSA-N 1 3 366.502 2.945 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(C(=O)OC)oc2C)CC1 ZINC001559660062 1076180534 /nfs/dbraw/zinc/18/05/34/1076180534.db2.gz IJTJJBVTYUAZLJ-UHFFFAOYSA-N 1 3 366.502 2.945 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1C ZINC001564009488 1076599567 /nfs/dbraw/zinc/59/95/67/1076599567.db2.gz DTPSKWAOIUDHDM-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO Cc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC001564027611 1076600489 /nfs/dbraw/zinc/60/04/89/1076600489.db2.gz MXUXWRQKTOASFP-MOPGFXCFSA-N 1 3 362.562 2.806 20 0 FFADHO Cc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC001564027611 1076600493 /nfs/dbraw/zinc/60/04/93/1076600493.db2.gz MXUXWRQKTOASFP-MOPGFXCFSA-N 1 3 362.562 2.806 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC001565061850 1076681784 /nfs/dbraw/zinc/68/17/84/1076681784.db2.gz AZXYTZMZDPIUBV-OALUTQOASA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)C2)cc1 ZINC001565061850 1076681787 /nfs/dbraw/zinc/68/17/87/1076681787.db2.gz AZXYTZMZDPIUBV-OALUTQOASA-N 1 3 358.530 2.741 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cc(C)ns1 ZINC001565976349 1076822768 /nfs/dbraw/zinc/82/27/68/1076822768.db2.gz WAHITEWWDHFKJO-ZBFHGGJFSA-N 1 3 352.548 2.510 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cc(C)ns1 ZINC001565976349 1076822772 /nfs/dbraw/zinc/82/27/72/1076822772.db2.gz WAHITEWWDHFKJO-ZBFHGGJFSA-N 1 3 352.548 2.510 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C)N1CCCC1 ZINC001566115802 1076919868 /nfs/dbraw/zinc/91/98/68/1076919868.db2.gz QZSCWARSPCVXIZ-GIVPXCGWSA-N 1 3 357.542 2.929 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H]1C)N1CCCC1 ZINC001566115802 1076919869 /nfs/dbraw/zinc/91/98/69/1076919869.db2.gz QZSCWARSPCVXIZ-GIVPXCGWSA-N 1 3 357.542 2.929 20 0 FFADHO Cc1cc(CNCCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cs1 ZINC001567563327 1077036604 /nfs/dbraw/zinc/03/66/04/1077036604.db2.gz PDKAMQDCAQJHCY-UXHICEINSA-N 1 3 371.550 2.950 20 0 FFADHO Cc1cc(CNCCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cs1 ZINC001567563327 1077036611 /nfs/dbraw/zinc/03/66/11/1077036611.db2.gz PDKAMQDCAQJHCY-UXHICEINSA-N 1 3 371.550 2.950 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000093817801 250048328 /nfs/dbraw/zinc/04/83/28/250048328.db2.gz YGOHAJJWHSLHGS-NRFANRHFSA-N 1 3 359.558 2.799 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000093817801 250048331 /nfs/dbraw/zinc/04/83/31/250048331.db2.gz YGOHAJJWHSLHGS-NRFANRHFSA-N 1 3 359.558 2.799 20 0 FFADHO [NH3+]C1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000131864139 251026338 /nfs/dbraw/zinc/02/63/38/251026338.db2.gz ALFVSWRWAIPURZ-HTWSVDAQSA-N 1 3 369.431 2.827 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153521441 251149240 /nfs/dbraw/zinc/14/92/40/251149240.db2.gz IQSWDOVPMKOZSY-RTWAWAEBSA-N 1 3 371.525 2.583 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000153521441 251149243 /nfs/dbraw/zinc/14/92/43/251149243.db2.gz IQSWDOVPMKOZSY-RTWAWAEBSA-N 1 3 371.525 2.583 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173561248 251207605 /nfs/dbraw/zinc/20/76/05/251207605.db2.gz XTEUUNHLDZGICO-HXUWFJFHSA-N 1 3 356.514 2.684 20 0 FFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268797600 251388064 /nfs/dbraw/zinc/38/80/64/251388064.db2.gz GOFNTSVRPYXIDA-QGZVFWFLSA-N 1 3 360.502 2.618 20 0 FFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268797600 251388068 /nfs/dbraw/zinc/38/80/68/251388068.db2.gz GOFNTSVRPYXIDA-QGZVFWFLSA-N 1 3 360.502 2.618 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272438719 252037871 /nfs/dbraw/zinc/03/78/71/252037871.db2.gz KQNLAJMUYDNWAQ-FXAWDEMLSA-N 1 3 358.530 2.764 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000272729203 252116781 /nfs/dbraw/zinc/11/67/81/252116781.db2.gz KJWSCVOPUAHMOE-GOSISDBHSA-N 1 3 370.541 2.909 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272603371 252077746 /nfs/dbraw/zinc/07/77/46/252077746.db2.gz XZEJAVUMVJRQMW-AZUAARDMSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272603371 252077751 /nfs/dbraw/zinc/07/77/51/252077751.db2.gz XZEJAVUMVJRQMW-AZUAARDMSA-N 1 3 360.546 2.879 20 0 FFADHO CC[C@@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[NH+](CC)CC ZINC000274145378 255839911 /nfs/dbraw/zinc/83/99/11/255839911.db2.gz KGZYKRBMADURON-FQEVSTJZSA-N 1 3 360.546 2.667 20 0 FFADHO C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000285742908 257002309 /nfs/dbraw/zinc/00/23/09/257002309.db2.gz RLXSRKUOCOWQRL-INIZCTEOSA-N 1 3 368.543 2.635 20 0 FFADHO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278048027 256270435 /nfs/dbraw/zinc/27/04/35/256270435.db2.gz KBXBVTVLTGDOEF-KRWDZBQOSA-N 1 3 369.431 2.566 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000278446034 256313696 /nfs/dbraw/zinc/31/36/96/256313696.db2.gz HXUAXQGREZBSPR-TZIWHRDSSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000278446034 256313697 /nfs/dbraw/zinc/31/36/97/256313697.db2.gz HXUAXQGREZBSPR-TZIWHRDSSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000278446028 256313717 /nfs/dbraw/zinc/31/37/17/256313717.db2.gz HXUAXQGREZBSPR-CTNGQTDRSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCO1 ZINC000278446028 256313718 /nfs/dbraw/zinc/31/37/18/256313718.db2.gz HXUAXQGREZBSPR-CTNGQTDRSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000278514777 256320880 /nfs/dbraw/zinc/32/08/80/256320880.db2.gz RVARTHLOVVXPOR-ZDUSSCGKSA-N 1 3 354.491 2.754 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC2CC[NH+](C3CC3)CC2)o1 ZINC000278558189 256324725 /nfs/dbraw/zinc/32/47/25/256324725.db2.gz ARBMLJISXQYJQQ-UHFFFAOYSA-N 1 3 362.518 2.536 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1nccn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278959059 256366428 /nfs/dbraw/zinc/36/64/28/256366428.db2.gz MFUDBZSGPXOQGS-LMCOJAPRSA-N 1 3 354.498 2.750 20 0 FFADHO CCOC1CC(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1 ZINC000285665386 256998405 /nfs/dbraw/zinc/99/84/05/256998405.db2.gz PJHGQVZZZLMDOA-UHFFFAOYSA-N 1 3 361.530 2.564 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000287307834 257082675 /nfs/dbraw/zinc/08/26/75/257082675.db2.gz NXLARMBFKLPMOK-WIYYLYMNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H](c1ccccc1)N(C)C ZINC000287719321 257105170 /nfs/dbraw/zinc/10/51/70/257105170.db2.gz BCKZLEOFWFUMGZ-NBYUQASBSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@@H](c1ccccc1)N(C)C ZINC000287719321 257105172 /nfs/dbraw/zinc/10/51/72/257105172.db2.gz BCKZLEOFWFUMGZ-NBYUQASBSA-N 1 3 358.530 2.804 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000289338254 257275458 /nfs/dbraw/zinc/27/54/58/257275458.db2.gz VWHGRNIFXPLQQR-RBUKOAKNSA-N 1 3 358.482 2.919 20 0 FFADHO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000290171973 257318814 /nfs/dbraw/zinc/31/88/14/257318814.db2.gz DUUFVPPEFUIVHH-FDGCKHTNSA-N 1 3 352.478 2.981 20 0 FFADHO C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000290300835 257324737 /nfs/dbraw/zinc/32/47/37/257324737.db2.gz NNGQEMJAXMFMDL-ZRCAFCQKSA-N 1 3 356.466 2.772 20 0 FFADHO CN1CCC(CC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000291587512 257411774 /nfs/dbraw/zinc/41/17/74/257411774.db2.gz DBRJOQCPILFJGX-UHFFFAOYSA-N 1 3 373.541 2.552 20 0 FFADHO O=C1CCCN1Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294290885 257581966 /nfs/dbraw/zinc/58/19/66/257581966.db2.gz UEGJFEVVNQGHRR-UHFFFAOYSA-N 1 3 364.493 2.963 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000052710216 506236448 /nfs/dbraw/zinc/23/64/48/506236448.db2.gz SSDVCKUIPOFVGG-HXUWFJFHSA-N 1 3 374.529 2.617 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000373126506 512184121 /nfs/dbraw/zinc/18/41/21/512184121.db2.gz VIOPISZTKCRHTI-SLYNCCJLSA-N 1 3 370.541 2.948 20 0 FFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CCCCCN3)cc2)CC1 ZINC000375288541 512251055 /nfs/dbraw/zinc/25/10/55/512251055.db2.gz MQFYPCAVGUMPRR-HXUWFJFHSA-N 1 3 358.530 2.935 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000045195473 506932100 /nfs/dbraw/zinc/93/21/00/506932100.db2.gz PZWNGZGQLRULNO-UHFFFAOYSA-N 1 3 358.530 2.745 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000045410092 506961815 /nfs/dbraw/zinc/96/18/15/506961815.db2.gz IYSWMKQVMVRQLM-UHFFFAOYSA-N 1 3 358.530 2.954 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067734607 506992557 /nfs/dbraw/zinc/99/25/57/506992557.db2.gz NZXVIJQUWOFXPS-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067734607 506992563 /nfs/dbraw/zinc/99/25/63/506992563.db2.gz NZXVIJQUWOFXPS-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000045978361 507057486 /nfs/dbraw/zinc/05/74/86/507057486.db2.gz NOSWLDJSZQNGNS-GOSISDBHSA-N 1 3 358.530 2.956 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000377589607 512341732 /nfs/dbraw/zinc/34/17/32/512341732.db2.gz DAHGMVORZFZARV-MSOLQXFVSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000377589607 512341738 /nfs/dbraw/zinc/34/17/38/512341738.db2.gz DAHGMVORZFZARV-MSOLQXFVSA-N 1 3 359.489 2.638 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000069780334 507557770 /nfs/dbraw/zinc/55/77/70/507557770.db2.gz FMNOYJVHLGXXSG-ICSRJNTNSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000069780334 507557774 /nfs/dbraw/zinc/55/77/74/507557774.db2.gz FMNOYJVHLGXXSG-ICSRJNTNSA-N 1 3 358.530 2.948 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccccc4)CCC3)CC2)CC1 ZINC000050799436 507714388 /nfs/dbraw/zinc/71/43/88/507714388.db2.gz DMWGOOZEYUJBHT-UHFFFAOYSA-N 1 3 355.526 2.783 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)cc3Cl)CC2)CC1 ZINC000050802334 507715626 /nfs/dbraw/zinc/71/56/26/507715626.db2.gz FCLKUGAPFHBTCE-UHFFFAOYSA-N 1 3 353.869 2.768 20 0 FFADHO C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCC[C@H](C)C1 ZINC000071932878 507726353 /nfs/dbraw/zinc/72/63/53/507726353.db2.gz XGYWLIPPLYNFCI-RBUKOAKNSA-N 1 3 352.567 2.918 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4cccnc43)CC2)CC1 ZINC000051235948 507752771 /nfs/dbraw/zinc/75/27/71/507752771.db2.gz WLPMQYZZNNNEIP-UHFFFAOYSA-N 1 3 367.497 2.915 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107827941 507869337 /nfs/dbraw/zinc/86/93/37/507869337.db2.gz LNBQDUOQXJAFJI-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000078434253 507871035 /nfs/dbraw/zinc/87/10/35/507871035.db2.gz UJNDIQSFAONNAM-LEWJYISDSA-N 1 3 368.525 2.761 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000107980197 507874960 /nfs/dbraw/zinc/87/49/60/507874960.db2.gz RMWLEFQALTZVHH-GBESFXJTSA-N 1 3 352.567 2.776 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000107980197 507874962 /nfs/dbraw/zinc/87/49/62/507874962.db2.gz RMWLEFQALTZVHH-GBESFXJTSA-N 1 3 352.567 2.776 20 0 FFADHO CCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000109025978 507932998 /nfs/dbraw/zinc/93/29/98/507932998.db2.gz OOUIMOSGBVHBAU-KRWDZBQOSA-N 1 3 361.530 2.549 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079256854 507948407 /nfs/dbraw/zinc/94/84/07/507948407.db2.gz UCHQSFDLKJNNLF-PXNSSMCTSA-N 1 3 370.541 2.607 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079256854 507948409 /nfs/dbraw/zinc/94/84/09/507948409.db2.gz UCHQSFDLKJNNLF-PXNSSMCTSA-N 1 3 370.541 2.607 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000079294827 507951269 /nfs/dbraw/zinc/95/12/69/507951269.db2.gz QPVWXLKMUSKPTQ-LJQANCHMSA-N 1 3 358.530 2.778 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC2([NH+](C)C)CCCCC2)o1 ZINC000079570257 507977336 /nfs/dbraw/zinc/97/73/36/507977336.db2.gz IPQDIUMXPJGGHM-UHFFFAOYSA-N 1 3 364.534 2.926 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000074086316 507984616 /nfs/dbraw/zinc/98/46/16/507984616.db2.gz HBXRTRHNHKYIPM-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)o1 ZINC000079688407 507991927 /nfs/dbraw/zinc/99/19/27/507991927.db2.gz APUQGXUZVWZAOA-QGZVFWFLSA-N 1 3 364.534 2.783 20 0 FFADHO C[NH+](C)CCC1CCN(Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000092381202 508066590 /nfs/dbraw/zinc/06/65/90/508066590.db2.gz CLMJIMMAOSLODP-UHFFFAOYSA-N 1 3 373.541 2.755 20 0 FFADHO CCOC(=O)[C@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000092456581 508072054 /nfs/dbraw/zinc/07/20/54/508072054.db2.gz CJSAUUIZQLYQAU-IBGZPJMESA-N 1 3 373.541 2.992 20 0 FFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)COCc1ccco1 ZINC000092821643 508102714 /nfs/dbraw/zinc/10/27/14/508102714.db2.gz YUWIOMUUSYRJIV-FQEVSTJZSA-N 1 3 373.497 2.791 20 0 FFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)COCc1ccco1 ZINC000092821643 508102717 /nfs/dbraw/zinc/10/27/17/508102717.db2.gz YUWIOMUUSYRJIV-FQEVSTJZSA-N 1 3 373.497 2.791 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000371404130 512380397 /nfs/dbraw/zinc/38/03/97/512380397.db2.gz HSJVMWBPZQBOCL-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000371404130 512380402 /nfs/dbraw/zinc/38/04/02/512380402.db2.gz HSJVMWBPZQBOCL-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000112743046 508218645 /nfs/dbraw/zinc/21/86/45/508218645.db2.gz NHDILYKXOPODJQ-FQEVSTJZSA-N 1 3 358.530 2.561 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000101518377 508241743 /nfs/dbraw/zinc/24/17/43/508241743.db2.gz MMPRFMWLYPSNAY-SFHVURJKSA-N 1 3 374.504 2.724 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000101518377 508241746 /nfs/dbraw/zinc/24/17/46/508241746.db2.gz MMPRFMWLYPSNAY-SFHVURJKSA-N 1 3 374.504 2.724 20 0 FFADHO C[C@H]1CCCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101999560 508263893 /nfs/dbraw/zinc/26/38/93/508263893.db2.gz JUVKUPCCXHQDMC-IRXDYDNUSA-N 1 3 350.551 2.671 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000077201958 508285972 /nfs/dbraw/zinc/28/59/72/508285972.db2.gz UUUIAEOIHWPDFT-MRXNPFEDSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000077201958 508285973 /nfs/dbraw/zinc/28/59/73/508285973.db2.gz UUUIAEOIHWPDFT-MRXNPFEDSA-N 1 3 366.481 2.714 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103305513 508306011 /nfs/dbraw/zinc/30/60/11/508306011.db2.gz MOLDQARROZRDSW-PZJWPPBQSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103305513 508306014 /nfs/dbraw/zinc/30/60/14/508306014.db2.gz MOLDQARROZRDSW-PZJWPPBQSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000085395628 508306506 /nfs/dbraw/zinc/30/65/06/508306506.db2.gz FWJQGVRIEARDIP-GIVPXCGWSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000085395628 508306508 /nfs/dbraw/zinc/30/65/08/508306508.db2.gz FWJQGVRIEARDIP-GIVPXCGWSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)C(C)(C)C[NH+](C)C ZINC000085424197 508308494 /nfs/dbraw/zinc/30/84/94/508308494.db2.gz DQCFXHPKWLRBSP-OAHLLOKOSA-N 1 3 354.564 2.798 20 0 FFADHO CCCC[N@H+](C)CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000114475742 508319828 /nfs/dbraw/zinc/31/98/28/508319828.db2.gz WHCKGSIKAWVUOL-UHFFFAOYSA-N 1 3 356.514 2.910 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000114475742 508319830 /nfs/dbraw/zinc/31/98/30/508319830.db2.gz WHCKGSIKAWVUOL-UHFFFAOYSA-N 1 3 356.514 2.910 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000077644842 508344625 /nfs/dbraw/zinc/34/46/25/508344625.db2.gz SAUILIDPYZIRIY-GOSISDBHSA-N 1 3 364.534 2.926 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000077644842 508344629 /nfs/dbraw/zinc/34/46/29/508344629.db2.gz SAUILIDPYZIRIY-GOSISDBHSA-N 1 3 364.534 2.926 20 0 FFADHO Cc1cccc2c1CC[C@H]2NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000104796618 508347787 /nfs/dbraw/zinc/34/77/87/508347787.db2.gz LESGTDCUGUEGHD-OAQYLSRUSA-N 1 3 370.541 2.840 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114834602 508352313 /nfs/dbraw/zinc/35/23/13/508352313.db2.gz OBXJLZAXSBUCCU-HXUWFJFHSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000104923995 508352653 /nfs/dbraw/zinc/35/26/53/508352653.db2.gz VBGLVFOPZWHUSE-KSZLIROESA-N 1 3 373.541 2.521 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000104923995 508352657 /nfs/dbraw/zinc/35/26/57/508352657.db2.gz VBGLVFOPZWHUSE-KSZLIROESA-N 1 3 373.541 2.521 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000105075370 508359837 /nfs/dbraw/zinc/35/98/37/508359837.db2.gz SQKZJXUSQFCSLG-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)N1CCc2ccccc2C1 ZINC000105126163 508362513 /nfs/dbraw/zinc/36/25/13/508362513.db2.gz KQFHNBSKNZUNNS-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)N1CCc2ccccc2C1 ZINC000105126163 508362516 /nfs/dbraw/zinc/36/25/16/508362516.db2.gz KQFHNBSKNZUNNS-NQIIRXRSSA-N 1 3 372.557 2.854 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)Cn2ccnc2)CC1 ZINC000088695369 508381247 /nfs/dbraw/zinc/38/12/47/508381247.db2.gz YCCXWBTYSCZSFH-LJQANCHMSA-N 1 3 355.530 2.841 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115354768 508387188 /nfs/dbraw/zinc/38/71/88/508387188.db2.gz OIKIQHAKDPUXBM-GOSISDBHSA-N 1 3 374.504 2.724 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115354768 508387190 /nfs/dbraw/zinc/38/71/90/508387190.db2.gz OIKIQHAKDPUXBM-GOSISDBHSA-N 1 3 374.504 2.724 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000121737339 508407301 /nfs/dbraw/zinc/40/73/01/508407301.db2.gz MTSBXIQNPYYHLD-DENIHFKCSA-N 1 3 359.558 2.771 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000121737339 508407305 /nfs/dbraw/zinc/40/73/05/508407305.db2.gz MTSBXIQNPYYHLD-DENIHFKCSA-N 1 3 359.558 2.771 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000115789064 508436573 /nfs/dbraw/zinc/43/65/73/508436573.db2.gz ZUBRWQRCKVZFDW-HXUWFJFHSA-N 1 3 358.530 2.766 20 0 FFADHO CCN(Cc1cccs1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127483955 508456953 /nfs/dbraw/zinc/45/69/53/508456953.db2.gz PSGWLGKYKUBCQZ-UHFFFAOYSA-N 1 3 364.559 2.838 20 0 FFADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000122091881 508480493 /nfs/dbraw/zinc/48/04/93/508480493.db2.gz SSFLIFXXEFTIPJ-KRWDZBQOSA-N 1 3 353.551 2.504 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000122091881 508480496 /nfs/dbraw/zinc/48/04/96/508480496.db2.gz SSFLIFXXEFTIPJ-KRWDZBQOSA-N 1 3 353.551 2.504 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)Cc1ccccc1 ZINC000156881741 508491119 /nfs/dbraw/zinc/49/11/19/508491119.db2.gz GBBFJRQDLCIXMR-MHJFOBGBSA-N 1 3 360.546 2.579 20 0 FFADHO CC[N@H+](CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000116434744 508513804 /nfs/dbraw/zinc/51/38/04/508513804.db2.gz VOGPLAJQKLACSM-QGZVFWFLSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@@H+](CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000116434744 508513807 /nfs/dbraw/zinc/51/38/07/508513807.db2.gz VOGPLAJQKLACSM-QGZVFWFLSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000157040083 508514537 /nfs/dbraw/zinc/51/45/37/508514537.db2.gz ONZXJTPWQACJBY-RTWAWAEBSA-N 1 3 373.541 2.733 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000122654201 508567673 /nfs/dbraw/zinc/56/76/73/508567673.db2.gz CSRGDBADKHCCGA-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000122742678 508581271 /nfs/dbraw/zinc/58/12/71/508581271.db2.gz HYHYOXUITJZSFT-UHFFFAOYSA-N 1 3 352.482 2.557 20 0 FFADHO C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000158130369 508660689 /nfs/dbraw/zinc/66/06/89/508660689.db2.gz QUIKTGXODLRAGZ-PGRDOPGGSA-N 1 3 355.526 2.542 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)NCc1cccc(C[NH+](C)C)c1 ZINC000123656693 508721506 /nfs/dbraw/zinc/72/15/06/508721506.db2.gz CLJHZKYKMFEJGJ-CYBMUJFWSA-N 1 3 351.292 2.886 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000158581899 508724106 /nfs/dbraw/zinc/72/41/06/508724106.db2.gz VHEXJUQUXCXWAV-FQEVSTJZSA-N 1 3 360.546 2.723 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000139530691 508790410 /nfs/dbraw/zinc/79/04/10/508790410.db2.gz ZWXOTASGHYANIH-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000124608995 508858237 /nfs/dbraw/zinc/85/82/37/508858237.db2.gz KRVXEBWPTKFPJU-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000124608995 508858242 /nfs/dbraw/zinc/85/82/42/508858242.db2.gz KRVXEBWPTKFPJU-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO Cn1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000124892814 508901297 /nfs/dbraw/zinc/90/12/97/508901297.db2.gz FGYDFRADQUWTGX-UHFFFAOYSA-N 1 3 357.498 2.805 20 0 FFADHO Cn1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000124892814 508901302 /nfs/dbraw/zinc/90/13/02/508901302.db2.gz FGYDFRADQUWTGX-UHFFFAOYSA-N 1 3 357.498 2.805 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000120185920 508945734 /nfs/dbraw/zinc/94/57/34/508945734.db2.gz XYYIACZOADBSAY-UHFFFAOYSA-N 1 3 360.424 2.749 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCc4sccc43)CC2)CC1 ZINC000125281683 508960172 /nfs/dbraw/zinc/96/01/72/508960172.db2.gz FOWJSCXZPLVUNW-SFHVURJKSA-N 1 3 361.555 2.843 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000120564183 509022177 /nfs/dbraw/zinc/02/21/77/509022177.db2.gz FYFHZUGEDFZXBJ-RCCFBDPRSA-N 1 3 352.567 2.869 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000120564183 509022181 /nfs/dbraw/zinc/02/21/81/509022181.db2.gz FYFHZUGEDFZXBJ-RCCFBDPRSA-N 1 3 352.567 2.869 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000120841369 509074536 /nfs/dbraw/zinc/07/45/36/509074536.db2.gz MKUQURKNDQMWTE-XLIONFOSSA-N 1 3 370.541 2.884 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)cs1 ZINC000161767373 509151544 /nfs/dbraw/zinc/15/15/44/509151544.db2.gz HAOIRHDVLKGIHT-NVXWUHKLSA-N 1 3 350.576 2.990 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1CSCCN1 ZINC000133382263 509153445 /nfs/dbraw/zinc/15/34/45/509153445.db2.gz DWIUEOQTBFFCSO-OAHLLOKOSA-N 1 3 355.573 2.514 20 0 FFADHO Cc1ccc(NC(=O)NCCN2CCCC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000121365395 509169974 /nfs/dbraw/zinc/16/99/74/509169974.db2.gz MLJCVNZTROLXHT-KRWDZBQOSA-N 1 3 362.518 2.931 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000247966883 509204412 /nfs/dbraw/zinc/20/44/12/509204412.db2.gz IBQLQVPRIVBHFM-HZPDHXFCSA-N 1 3 353.532 2.973 20 0 FFADHO C[C@H]1CCC[C@H](C)C1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176020615 509277740 /nfs/dbraw/zinc/27/77/40/509277740.db2.gz GBJJHCDVIJRFLQ-HOTGVXAUSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H](NC[C@H](O)COCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662034 509291848 /nfs/dbraw/zinc/29/18/48/509291848.db2.gz BOVGHAWNUYSVPJ-QKLQHJQFSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H](NC[C@H](O)COCc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662034 509291856 /nfs/dbraw/zinc/29/18/56/509291856.db2.gz BOVGHAWNUYSVPJ-QKLQHJQFSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000185662034 509291861 /nfs/dbraw/zinc/29/18/61/509291861.db2.gz BOVGHAWNUYSVPJ-QKLQHJQFSA-N 1 3 364.505 2.946 20 0 FFADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185662299 509293067 /nfs/dbraw/zinc/29/30/67/509293067.db2.gz DBDXOXJONUIGIM-BSIFCXSSSA-N 1 3 374.525 2.872 20 0 FFADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248404543 509299340 /nfs/dbraw/zinc/29/93/40/509299340.db2.gz QIXRFKJPLGDFLS-DXBBTUNJSA-N 1 3 360.542 2.910 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404543 509299348 /nfs/dbraw/zinc/29/93/48/509299348.db2.gz QIXRFKJPLGDFLS-DXBBTUNJSA-N 1 3 360.542 2.910 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404543 509299352 /nfs/dbraw/zinc/29/93/52/509299352.db2.gz QIXRFKJPLGDFLS-DXBBTUNJSA-N 1 3 360.542 2.910 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H](N)c1ccccc1 ZINC000188997412 509360612 /nfs/dbraw/zinc/36/06/12/509360612.db2.gz GXRVOTNBISBPKP-DFXFOWLGSA-N 1 3 373.447 2.863 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189076111 509400499 /nfs/dbraw/zinc/40/04/99/509400499.db2.gz XRTRIZDHVPEGPO-WWDZGPRUSA-N 1 3 369.509 2.915 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000163938494 509444489 /nfs/dbraw/zinc/44/44/89/509444489.db2.gz MQCVOHWYLNKRRC-FQEVSTJZSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000173189089 509445637 /nfs/dbraw/zinc/44/56/37/509445637.db2.gz JERSOZZWBNJKGF-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000173189089 509445644 /nfs/dbraw/zinc/44/56/44/509445644.db2.gz JERSOZZWBNJKGF-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000185960904 509451103 /nfs/dbraw/zinc/45/11/03/509451103.db2.gz LUFRWSZLAOMNHY-IBGZPJMESA-N 1 3 372.900 2.638 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000179459613 509454570 /nfs/dbraw/zinc/45/45/70/509454570.db2.gz GOZBOWSISFZKTB-PMACEKPBSA-N 1 3 358.530 2.805 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179474384 509464846 /nfs/dbraw/zinc/46/48/46/509464846.db2.gz TYHVVRAPEISMEI-IYWMVGAKSA-N 1 3 356.514 2.700 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179474384 509464851 /nfs/dbraw/zinc/46/48/51/509464851.db2.gz TYHVVRAPEISMEI-IYWMVGAKSA-N 1 3 356.514 2.700 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000176365008 509467237 /nfs/dbraw/zinc/46/72/37/509467237.db2.gz PCISTHLGSIKMGH-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000176365008 509467248 /nfs/dbraw/zinc/46/72/48/509467248.db2.gz PCISTHLGSIKMGH-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176374370 509473575 /nfs/dbraw/zinc/47/35/75/509473575.db2.gz VGHIEQPANLCVLX-KRWDZBQOSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182901466 509485337 /nfs/dbraw/zinc/48/53/37/509485337.db2.gz PSTPQFRCFSONOV-QZTJIDSGSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182901466 509485348 /nfs/dbraw/zinc/48/53/48/509485348.db2.gz PSTPQFRCFSONOV-QZTJIDSGSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000236786119 509502548 /nfs/dbraw/zinc/50/25/48/509502548.db2.gz IHAARZWPABIANW-FQEVSTJZSA-N 1 3 360.546 2.662 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000236880014 509523690 /nfs/dbraw/zinc/52/36/90/509523690.db2.gz NORIZMLLJGESNS-RBUKOAKNSA-N 1 3 359.514 2.584 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248897504 509536398 /nfs/dbraw/zinc/53/63/98/509536398.db2.gz UAWBUXVJNXAVJE-HLAWJBBLSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248897504 509536401 /nfs/dbraw/zinc/53/64/01/509536401.db2.gz UAWBUXVJNXAVJE-HLAWJBBLSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000164838678 509538911 /nfs/dbraw/zinc/53/89/11/509538911.db2.gz BMTHSTKTWITASB-UEXGIBASSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000164838678 509538918 /nfs/dbraw/zinc/53/89/18/509538918.db2.gz BMTHSTKTWITASB-UEXGIBASSA-N 1 3 373.541 2.549 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)cc2)CC1 ZINC000236963986 509541266 /nfs/dbraw/zinc/54/12/66/509541266.db2.gz RQJGVEURLQWURJ-GOSISDBHSA-N 1 3 372.557 2.788 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000183025776 509554769 /nfs/dbraw/zinc/55/47/69/509554769.db2.gz QRVITNRTKORBPG-RTBURBONSA-N 1 3 350.551 2.768 20 0 FFADHO FC(F)CN1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000165312845 509567330 /nfs/dbraw/zinc/56/73/30/509567330.db2.gz VNJMNXACSSIJRT-SFHVURJKSA-N 1 3 351.485 2.870 20 0 FFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@]3(C)CCCCN3)cc2)CC1 ZINC000237096620 509570557 /nfs/dbraw/zinc/57/05/57/509570557.db2.gz DMABXQJSUSWNAE-NRFANRHFSA-N 1 3 358.530 2.935 20 0 FFADHO C[C@H]1CN(C(=O)c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C[C@H](C)O1 ZINC000249031897 509576377 /nfs/dbraw/zinc/57/63/77/509576377.db2.gz RJJVPZKYWXHFBV-ZIAAKBQJSA-N 1 3 371.525 2.651 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176583047 509595377 /nfs/dbraw/zinc/59/53/77/509595377.db2.gz PEIBLJHPEMFOTB-MSOLQXFVSA-N 1 3 364.509 2.772 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCC[C@H]2CC)[C@H](C)C1 ZINC000249258131 509642425 /nfs/dbraw/zinc/64/24/25/509642425.db2.gz HPBBDOQQCJLUMI-WTGUMLROSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605399 509688744 /nfs/dbraw/zinc/68/87/44/509688744.db2.gz ZFBZQXXEHYYOAJ-HDICACEKSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000249515361 509700606 /nfs/dbraw/zinc/70/06/06/509700606.db2.gz CGOBTROBRZAWBF-QZTJIDSGSA-N 1 3 350.551 2.624 20 0 FFADHO CSc1cc(Br)ccc1C[NH2+]CC1(O)CCN(C)CC1 ZINC000268005208 509711954 /nfs/dbraw/zinc/71/19/54/509711954.db2.gz CJHLBQARZZYGDM-UHFFFAOYSA-N 1 3 359.333 2.717 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCCC[NH+]2CCCCC2)c1 ZINC000183389400 509755864 /nfs/dbraw/zinc/75/58/64/509755864.db2.gz VNHJEEDPMIYTGO-MRXNPFEDSA-N 1 3 361.486 2.656 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCCC[NH+]2CCCCC2)c1 ZINC000183389383 509756574 /nfs/dbraw/zinc/75/65/74/509756574.db2.gz VNHJEEDPMIYTGO-INIZCTEOSA-N 1 3 361.486 2.656 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000170756358 509759063 /nfs/dbraw/zinc/75/90/63/509759063.db2.gz CHWBOXXDQJSHKY-WOJBJXKFSA-N 1 3 358.530 2.731 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCC[NH+]2CCCCCC2)c1 ZINC000183398806 509762118 /nfs/dbraw/zinc/76/21/18/509762118.db2.gz DEAMFEBEACVBSY-MRXNPFEDSA-N 1 3 361.486 2.656 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000268115480 509763901 /nfs/dbraw/zinc/76/39/01/509763901.db2.gz KJDJKTBWHUKLKH-RGSBRZDASA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000268115480 509763906 /nfs/dbraw/zinc/76/39/06/509763906.db2.gz KJDJKTBWHUKLKH-RGSBRZDASA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173853251 509817635 /nfs/dbraw/zinc/81/76/35/509817635.db2.gz VNABNQIWFXVBPG-FXAWDEMLSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000173853251 509817644 /nfs/dbraw/zinc/81/76/44/509817644.db2.gz VNABNQIWFXVBPG-FXAWDEMLSA-N 1 3 358.530 2.559 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173881051 509831901 /nfs/dbraw/zinc/83/19/01/509831901.db2.gz FUHXHELXRDEOHA-GOSISDBHSA-N 1 3 369.509 2.871 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173881051 509831908 /nfs/dbraw/zinc/83/19/08/509831908.db2.gz FUHXHELXRDEOHA-GOSISDBHSA-N 1 3 369.509 2.871 20 0 FFADHO CC(C)N(C(=O)[C@@H](C)N1CCC(OCC[NH+]2CCCC2)CC1)C(C)C ZINC000173945550 509868632 /nfs/dbraw/zinc/86/86/32/509868632.db2.gz XIDBFIPEMXSCIX-GOSISDBHSA-N 1 3 353.551 2.597 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173996417 509894925 /nfs/dbraw/zinc/89/49/25/509894925.db2.gz ZORQUJBXRWVYKK-YLJYHZDGSA-N 1 3 372.557 2.947 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000173996417 509894930 /nfs/dbraw/zinc/89/49/30/509894930.db2.gz ZORQUJBXRWVYKK-YLJYHZDGSA-N 1 3 372.557 2.947 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245442405 509938494 /nfs/dbraw/zinc/93/84/94/509938494.db2.gz WGKUVRVINNGJFN-SFTDATJTSA-N 1 3 370.541 2.778 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4scnc4c3)CC2)CC1 ZINC000190162782 509978513 /nfs/dbraw/zinc/97/85/13/509978513.db2.gz VQTYSXRGFONXBA-UHFFFAOYSA-N 1 3 373.526 2.976 20 0 FFADHO C[C@H](NC(=O)[C@@H](CN)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261577561 509993227 /nfs/dbraw/zinc/99/32/27/509993227.db2.gz CVQLDGYHMTWSKV-WMQCIHAUSA-N 1 3 351.494 2.756 20 0 FFADHO C[C@H](NC(=O)[C@@H](CN)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261577561 509993233 /nfs/dbraw/zinc/99/32/33/509993233.db2.gz CVQLDGYHMTWSKV-WMQCIHAUSA-N 1 3 351.494 2.756 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000171191484 509997242 /nfs/dbraw/zinc/99/72/42/509997242.db2.gz CFFQSSODBJYKRP-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000261607721 509998571 /nfs/dbraw/zinc/99/85/71/509998571.db2.gz AGXCQIOACAPWRB-UWWQBHOKSA-N 1 3 369.431 2.637 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1cccs1 ZINC000245586959 510022751 /nfs/dbraw/zinc/02/27/51/510022751.db2.gz AMKDZTLDBSOSID-SJORKVTESA-N 1 3 366.575 2.737 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1cccs1 ZINC000245586959 510022754 /nfs/dbraw/zinc/02/27/54/510022754.db2.gz AMKDZTLDBSOSID-SJORKVTESA-N 1 3 366.575 2.737 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245647889 510059682 /nfs/dbraw/zinc/05/96/82/510059682.db2.gz MAOXBNHPAGQKOP-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO COc1ccccc1OCCN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171304292 510069293 /nfs/dbraw/zinc/06/92/93/510069293.db2.gz MYBYSSALOWBMKX-ROUUACIJSA-N 1 3 362.514 2.895 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245664328 510071017 /nfs/dbraw/zinc/07/10/17/510071017.db2.gz QOGXEBIVGNROIJ-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261829521 510082462 /nfs/dbraw/zinc/08/24/62/510082462.db2.gz KXMSFDPMKFXEEB-NVXWUHKLSA-N 1 3 369.431 2.786 20 0 FFADHO CCNC(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245714972 510104164 /nfs/dbraw/zinc/10/41/64/510104164.db2.gz NVHPOJBYPVTOBB-YSTOQKLRSA-N 1 3 356.514 2.575 20 0 FFADHO CCNC(=O)N1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245714972 510104169 /nfs/dbraw/zinc/10/41/69/510104169.db2.gz NVHPOJBYPVTOBB-YSTOQKLRSA-N 1 3 356.514 2.575 20 0 FFADHO Cc1nc2ccc(CN3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc2s1 ZINC000261954183 510127357 /nfs/dbraw/zinc/12/73/57/510127357.db2.gz OLHCQHAJXRTEHM-WMZOPIPTSA-N 1 3 372.538 2.685 20 0 FFADHO C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000261961171 510128871 /nfs/dbraw/zinc/12/88/71/510128871.db2.gz ORANALVVGOMHSY-KBPBESRZSA-N 1 3 368.319 2.687 20 0 FFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)[C@@H](C)C1 ZINC000245797927 510149801 /nfs/dbraw/zinc/14/98/01/510149801.db2.gz XGPIHVQRTYFBEZ-FXAWDEMLSA-N 1 3 373.541 2.754 20 0 FFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(=O)NCC2CC2)[C@@H](C)C1 ZINC000245797927 510149806 /nfs/dbraw/zinc/14/98/06/510149806.db2.gz XGPIHVQRTYFBEZ-FXAWDEMLSA-N 1 3 373.541 2.754 20 0 FFADHO FC(F)(F)COc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262037188 510156509 /nfs/dbraw/zinc/15/65/09/510156509.db2.gz YBAOFNFIIAGUAS-ARFHVFGLSA-N 1 3 358.404 2.874 20 0 FFADHO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCC[C@H](C)C1 ZINC000245840429 510161975 /nfs/dbraw/zinc/16/19/75/510161975.db2.gz BGCUPNWEKWPTIK-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](CN1CC[C@H](N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000262135420 510188682 /nfs/dbraw/zinc/18/86/82/510188682.db2.gz ONTASQRWRPTIIY-YOEHRIQHSA-N 1 3 352.320 2.532 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000265755476 510212505 /nfs/dbraw/zinc/21/25/05/510212505.db2.gz PZEQIEMJGNFTFH-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000265755476 510212510 /nfs/dbraw/zinc/21/25/10/510212510.db2.gz PZEQIEMJGNFTFH-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000171561330 510227372 /nfs/dbraw/zinc/22/73/72/510227372.db2.gz XKCIGWJSZDCGJV-UHFFFAOYSA-N 1 3 372.557 2.631 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)N(C)C)cc1 ZINC000245958213 510228565 /nfs/dbraw/zinc/22/85/65/510228565.db2.gz MGOCYENBOSIKEQ-AQNXPRMDSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)N(C)C)cc1 ZINC000245958213 510228570 /nfs/dbraw/zinc/22/85/70/510228570.db2.gz MGOCYENBOSIKEQ-AQNXPRMDSA-N 1 3 358.530 2.723 20 0 FFADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1N(C)C ZINC000180995809 510228673 /nfs/dbraw/zinc/22/86/73/510228673.db2.gz KCYNKEBLQFSAPC-KRWDZBQOSA-N 1 3 368.525 2.895 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194169417 510248341 /nfs/dbraw/zinc/24/83/41/510248341.db2.gz UARUVTHYFSVRJD-JSXRDJHFSA-N 1 3 356.510 2.691 20 0 FFADHO C[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N(C)C1CC1 ZINC000171662233 510291149 /nfs/dbraw/zinc/29/11/49/510291149.db2.gz VXSXDDHZBCNDIV-QGZVFWFLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[N@H+](C)C1CC1 ZINC000246150260 510321548 /nfs/dbraw/zinc/32/15/48/510321548.db2.gz KCLULIZCJRPENW-RVKKMQEKSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC000246150260 510321557 /nfs/dbraw/zinc/32/15/57/510321557.db2.gz KCLULIZCJRPENW-RVKKMQEKSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000262604609 510333207 /nfs/dbraw/zinc/33/32/07/510333207.db2.gz YQVTZOUSEQSLLN-WFXMLNOXSA-N 1 3 357.542 2.915 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000174912740 510383777 /nfs/dbraw/zinc/38/37/77/510383777.db2.gz GHQNVFCOGPNOPI-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000266110038 510414684 /nfs/dbraw/zinc/41/46/84/510414684.db2.gz USQLSRJLWADNFZ-YLJYHZDGSA-N 1 3 361.530 2.819 20 0 FFADHO CC(C)N1CCC[C@H]([NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000246341388 510436014 /nfs/dbraw/zinc/43/60/14/510436014.db2.gz LKTRYVSMCKQMTG-NSHGMRRFSA-N 1 3 365.562 2.597 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000171909218 510447311 /nfs/dbraw/zinc/44/73/11/510447311.db2.gz RJIRYECVEHINMM-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000246412319 510476379 /nfs/dbraw/zinc/47/63/79/510476379.db2.gz FHLYTKIZKFULQQ-ZIFCJYIRSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000246412319 510476387 /nfs/dbraw/zinc/47/63/87/510476387.db2.gz FHLYTKIZKFULQQ-ZIFCJYIRSA-N 1 3 358.530 2.821 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000194735604 510501751 /nfs/dbraw/zinc/50/17/51/510501751.db2.gz NKUKBDYIESQMEK-UHFFFAOYSA-N 1 3 371.525 2.704 20 0 FFADHO COc1ccc(COC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246573575 510562364 /nfs/dbraw/zinc/56/23/64/510562364.db2.gz LLIQAZGVBDNTFE-UZKOGDIHSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccc(COC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246573575 510562373 /nfs/dbraw/zinc/56/23/73/510562373.db2.gz LLIQAZGVBDNTFE-UZKOGDIHSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)CCC3CC[NH2+]CC3)CC2)cc1 ZINC000263112073 510567128 /nfs/dbraw/zinc/56/71/28/510567128.db2.gz AJBMYKZRMPKMIU-UHFFFAOYSA-N 1 3 373.541 2.803 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000246583791 510568925 /nfs/dbraw/zinc/56/89/25/510568925.db2.gz UJVPVOGNKPGXFM-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000246583791 510568932 /nfs/dbraw/zinc/56/89/32/510568932.db2.gz UJVPVOGNKPGXFM-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000184923871 510587274 /nfs/dbraw/zinc/58/72/74/510587274.db2.gz YNHFZNZFEAYDEA-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000184923871 510587279 /nfs/dbraw/zinc/58/72/79/510587279.db2.gz YNHFZNZFEAYDEA-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178409957 510590373 /nfs/dbraw/zinc/59/03/73/510590373.db2.gz UPIFLUIOESBUSA-KRWDZBQOSA-N 1 3 365.543 2.753 20 0 FFADHO COC[C@@H]1CCCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246812056 510689065 /nfs/dbraw/zinc/68/90/65/510689065.db2.gz RPOVYUZKEVXGOF-UYAOXDASSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H](CC(=O)NC1CCN(CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000178688834 510724005 /nfs/dbraw/zinc/72/40/05/510724005.db2.gz HPUMEWQLNQKKFG-ICSRJNTNSA-N 1 3 357.542 2.836 20 0 FFADHO COc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N2CCCC2)cc1 ZINC000195293487 510765311 /nfs/dbraw/zinc/76/53/11/510765311.db2.gz IBMOEPUQSBBNJP-NRFANRHFSA-N 1 3 371.525 2.823 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000246998291 510791274 /nfs/dbraw/zinc/79/12/74/510791274.db2.gz WSVGOWGYYIFJAW-HLIPFELVSA-N 1 3 373.545 2.731 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000246998291 510791282 /nfs/dbraw/zinc/79/12/82/510791282.db2.gz WSVGOWGYYIFJAW-HLIPFELVSA-N 1 3 373.545 2.731 20 0 FFADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343422 510793804 /nfs/dbraw/zinc/79/38/04/510793804.db2.gz XACMQUHTBZGEBJ-LPHOPBHVSA-N 1 3 350.551 2.765 20 0 FFADHO CCOc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195344200 510794152 /nfs/dbraw/zinc/79/41/52/510794152.db2.gz VJLDXBBUZQILTQ-UHFFFAOYSA-N 1 3 360.502 2.765 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247022055 510804683 /nfs/dbraw/zinc/80/46/83/510804683.db2.gz LUMBIWCPCYXLSQ-QLFBSQMISA-N 1 3 357.340 2.992 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247022055 510804686 /nfs/dbraw/zinc/80/46/86/510804686.db2.gz LUMBIWCPCYXLSQ-QLFBSQMISA-N 1 3 357.340 2.992 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000247022055 510804689 /nfs/dbraw/zinc/80/46/89/510804689.db2.gz LUMBIWCPCYXLSQ-QLFBSQMISA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000172602375 510815123 /nfs/dbraw/zinc/81/51/23/510815123.db2.gz VMCZOQMNEUTMDM-NQIIRXRSSA-N 1 3 372.557 2.629 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000172602375 510815129 /nfs/dbraw/zinc/81/51/29/510815129.db2.gz VMCZOQMNEUTMDM-NQIIRXRSSA-N 1 3 372.557 2.629 20 0 FFADHO Cn1ncc2c1CCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182229114 510824752 /nfs/dbraw/zinc/82/47/52/510824752.db2.gz JTCVNCWKXISXGG-QUCCMNQESA-N 1 3 354.498 2.544 20 0 FFADHO Cn1ncc2c1CCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182229114 510824758 /nfs/dbraw/zinc/82/47/58/510824758.db2.gz JTCVNCWKXISXGG-QUCCMNQESA-N 1 3 354.498 2.544 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000247118038 510839210 /nfs/dbraw/zinc/83/92/10/510839210.db2.gz GHSXLEAWPPQOSM-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000247118038 510839212 /nfs/dbraw/zinc/83/92/12/510839212.db2.gz GHSXLEAWPPQOSM-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO Cc1cccc(N2CC[NH+](CCCCN[C@H](C)c3nccn3C)CC2)c1 ZINC000182286488 510843863 /nfs/dbraw/zinc/84/38/63/510843863.db2.gz BXSKWSGPXLXMBD-LJQANCHMSA-N 1 3 355.530 2.982 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCN(C)[C@@H](C)C3)CC2)c1 ZINC000247166926 510847896 /nfs/dbraw/zinc/84/78/96/510847896.db2.gz ULFDOGPUYMSOHY-SFTDATJTSA-N 1 3 358.574 2.970 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000247379488 510859155 /nfs/dbraw/zinc/85/91/55/510859155.db2.gz UCBOTFJYONAWLU-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000247379488 510859156 /nfs/dbraw/zinc/85/91/56/510859156.db2.gz UCBOTFJYONAWLU-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@@H](CC[NH+]1CCN(C)CC1)N[C@@H](C)c1ncc(Br)cc1F ZINC000275383661 510893856 /nfs/dbraw/zinc/89/38/56/510893856.db2.gz XVSGIRMQDWCVGA-STQMWFEESA-N 1 3 373.314 2.660 20 0 FFADHO CN1CCC([N@@H+]2CC[C@@H](N[C@@H](c3ccccc3)c3ccccn3)C2)CC1 ZINC000361067435 510988355 /nfs/dbraw/zinc/98/83/55/510988355.db2.gz MZMFXXZQOYZMMI-KNQAVFIVSA-N 1 3 350.510 2.929 20 0 FFADHO CN1CCC([N@H+]2CC[C@@H](N[C@@H](c3ccccc3)c3ccccn3)C2)CC1 ZINC000361067435 510988361 /nfs/dbraw/zinc/98/83/61/510988361.db2.gz MZMFXXZQOYZMMI-KNQAVFIVSA-N 1 3 350.510 2.929 20 0 FFADHO COCCC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)cc1 ZINC000282482505 510994748 /nfs/dbraw/zinc/99/47/48/510994748.db2.gz WYVDCNYIGZNNBR-FQEVSTJZSA-N 1 3 351.510 2.911 20 0 FFADHO c1c(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)nc2ncccn12 ZINC000297801725 511072570 /nfs/dbraw/zinc/07/25/70/511072570.db2.gz XLAJJEKJSTVDHN-UHFFFAOYSA-N 1 3 365.481 2.536 20 0 FFADHO C[C@H](C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000361712039 511084107 /nfs/dbraw/zinc/08/41/07/511084107.db2.gz XWYQSWDWBAOPSZ-XAUMDUMWSA-N 1 3 353.466 2.678 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCN1 ZINC000333276252 511186221 /nfs/dbraw/zinc/18/62/21/511186221.db2.gz LLVGCOOKUPGINU-VQHPVUNQSA-N 1 3 355.482 2.714 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C(C(C)(C)C)CC3)CC2)CC1 ZINC000362675683 511214494 /nfs/dbraw/zinc/21/44/94/511214494.db2.gz IWULRFVWWJBBPJ-UHFFFAOYSA-N 1 3 362.562 2.933 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000283304928 511315404 /nfs/dbraw/zinc/31/54/04/511315404.db2.gz NORXJZQGHPAYHJ-FQEVSTJZSA-N 1 3 369.557 2.917 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000283304928 511315408 /nfs/dbraw/zinc/31/54/08/511315408.db2.gz NORXJZQGHPAYHJ-FQEVSTJZSA-N 1 3 369.557 2.917 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000271764473 511315511 /nfs/dbraw/zinc/31/55/11/511315511.db2.gz BQXMBPOOHNSIHC-VOBGVNJCSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000271764473 511315518 /nfs/dbraw/zinc/31/55/18/511315518.db2.gz BQXMBPOOHNSIHC-VOBGVNJCSA-N 1 3 358.530 2.821 20 0 FFADHO Fc1ccc(N2CCOCC2)c(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298569814 511332400 /nfs/dbraw/zinc/33/24/00/511332400.db2.gz WXOCVBMVVJFDHW-UHFFFAOYSA-N 1 3 370.472 2.816 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000271842906 511344863 /nfs/dbraw/zinc/34/48/63/511344863.db2.gz URZBLJCZSWPUDY-FQEVSTJZSA-N 1 3 371.529 2.568 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333816684 511364453 /nfs/dbraw/zinc/36/44/53/511364453.db2.gz QLCDJHYGUIGJQB-CEXWTWQISA-N 1 3 362.562 2.720 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363141528 511378646 /nfs/dbraw/zinc/37/86/46/511378646.db2.gz XCJUOJKAMPFHAP-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363141528 511378649 /nfs/dbraw/zinc/37/86/49/511378649.db2.gz XCJUOJKAMPFHAP-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC([NH3+])CC2)c2cccs2)CC1 ZINC000333894667 511384717 /nfs/dbraw/zinc/38/47/17/511384717.db2.gz HPUGTGVVQCNANA-INIZCTEOSA-N 1 3 350.532 2.654 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000333949413 511401576 /nfs/dbraw/zinc/40/15/76/511401576.db2.gz XGHUSUYJEWQGLI-ZKIDJSGLSA-N 1 3 356.514 2.591 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000333950021 511401596 /nfs/dbraw/zinc/40/15/96/511401596.db2.gz XUDKXLZOZJCRTD-DFQSSKMNSA-N 1 3 370.541 2.511 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298910317 511449060 /nfs/dbraw/zinc/44/90/60/511449060.db2.gz CKXXQGXMDSZFDM-FQEVSTJZSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272157255 511449404 /nfs/dbraw/zinc/44/94/04/511449404.db2.gz CZTCMUNXIUUIDO-UAGQMJEPSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H](NCCC(=O)NC(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298949221 511461544 /nfs/dbraw/zinc/46/15/44/511461544.db2.gz OLMFLOWQYQTONR-IAGOWNOFSA-N 1 3 372.513 2.967 20 0 FFADHO C[C@@H](NCCC(=O)NC(=O)Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298949221 511461548 /nfs/dbraw/zinc/46/15/48/511461548.db2.gz OLMFLOWQYQTONR-IAGOWNOFSA-N 1 3 372.513 2.967 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)NC(=O)Nc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000298949221 511461552 /nfs/dbraw/zinc/46/15/52/511461552.db2.gz OLMFLOWQYQTONR-IAGOWNOFSA-N 1 3 372.513 2.967 20 0 FFADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000295837279 511530667 /nfs/dbraw/zinc/53/06/67/511530667.db2.gz DBDDEDRAUCIMPW-MIGBEJBISA-N 1 3 363.527 2.502 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000273539215 511530965 /nfs/dbraw/zinc/53/09/65/511530965.db2.gz SUWAYOWOWVVBRQ-AHRSYUTCSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000273671050 511570214 /nfs/dbraw/zinc/57/02/14/511570214.db2.gz XUVJITDHHXFFGD-QZTJIDSGSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000274160924 511738461 /nfs/dbraw/zinc/73/84/61/511738461.db2.gz IACVMIOKDFWFSV-XCDJFROHSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000274160924 511738466 /nfs/dbraw/zinc/73/84/66/511738466.db2.gz IACVMIOKDFWFSV-XCDJFROHSA-N 1 3 370.541 2.821 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000310984114 511774198 /nfs/dbraw/zinc/77/41/98/511774198.db2.gz GLRIMBJMMUQROX-MOPGFXCFSA-N 1 3 360.523 2.737 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000310984114 511774208 /nfs/dbraw/zinc/77/42/08/511774208.db2.gz GLRIMBJMMUQROX-MOPGFXCFSA-N 1 3 360.523 2.737 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000312646778 511786445 /nfs/dbraw/zinc/78/64/45/511786445.db2.gz FAADYFJWGHIPHS-KIQACKJLSA-N 1 3 373.541 2.546 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000312646778 511786450 /nfs/dbraw/zinc/78/64/50/511786450.db2.gz FAADYFJWGHIPHS-KIQACKJLSA-N 1 3 373.541 2.546 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CN1CCCC1 ZINC000315119725 511797485 /nfs/dbraw/zinc/79/74/85/511797485.db2.gz ZSWCNQGXFRQLOC-GOEBONIOSA-N 1 3 371.319 2.510 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274947705 511996042 /nfs/dbraw/zinc/99/60/42/511996042.db2.gz URRHKCQUELLVNX-IFMALSPDSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COCC(F)(F)F)CC1 ZINC000366587954 512096360 /nfs/dbraw/zinc/09/63/60/512096360.db2.gz BYKLQMMAPZKUDC-WBVHZDCISA-N 1 3 366.468 2.903 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COCC(F)(F)F)CC1 ZINC000366587954 512096363 /nfs/dbraw/zinc/09/63/63/512096363.db2.gz BYKLQMMAPZKUDC-WBVHZDCISA-N 1 3 366.468 2.903 20 0 FFADHO CSCC[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N(C)C ZINC000367479602 512521549 /nfs/dbraw/zinc/52/15/49/512521549.db2.gz DKPXNGLNSQGRKC-UHOSZYNNSA-N 1 3 363.571 2.697 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000375968448 512594220 /nfs/dbraw/zinc/59/42/20/512594220.db2.gz JHGADPAQKRPQTP-WMZOPIPTSA-N 1 3 369.431 2.595 20 0 FFADHO C[C@]1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000374004141 512616450 /nfs/dbraw/zinc/61/64/50/512616450.db2.gz VPGDTLKSHBXUQG-SIKLNZKXSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@]1(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000374004141 512616455 /nfs/dbraw/zinc/61/64/55/512616455.db2.gz VPGDTLKSHBXUQG-SIKLNZKXSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[C@H]2CCC[C@H]21 ZINC000367746734 512644882 /nfs/dbraw/zinc/64/48/82/512644882.db2.gz OVSYUZNLFKFXCQ-JSXRDJHFSA-N 1 3 371.525 2.558 20 0 FFADHO C[C@@H]1CN(CCSc2ccc(F)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378309796 512689023 /nfs/dbraw/zinc/68/90/23/512689023.db2.gz BXHUCSCIDZBJHN-APWZRJJASA-N 1 3 351.535 2.876 20 0 FFADHO C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378309796 512689028 /nfs/dbraw/zinc/68/90/28/512689028.db2.gz BXHUCSCIDZBJHN-APWZRJJASA-N 1 3 351.535 2.876 20 0 FFADHO C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378309796 512689033 /nfs/dbraw/zinc/68/90/33/512689033.db2.gz BXHUCSCIDZBJHN-APWZRJJASA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H]1CN(CCSc2ccc(F)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378309799 512689079 /nfs/dbraw/zinc/68/90/79/512689079.db2.gz BXHUCSCIDZBJHN-LPHOPBHVSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378309799 512689082 /nfs/dbraw/zinc/68/90/82/512689082.db2.gz BXHUCSCIDZBJHN-LPHOPBHVSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H]1C[N@@H+](CCSc2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000378309799 512689089 /nfs/dbraw/zinc/68/90/89/512689089.db2.gz BXHUCSCIDZBJHN-LPHOPBHVSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000378567566 512827871 /nfs/dbraw/zinc/82/78/71/512827871.db2.gz NHPIHEVOXHFESP-KRWDZBQOSA-N 1 3 362.562 2.981 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000376594290 512889648 /nfs/dbraw/zinc/88/96/48/512889648.db2.gz DDADVZWZFGVQIX-FQEVSTJZSA-N 1 3 373.589 2.815 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000376594290 512889653 /nfs/dbraw/zinc/88/96/53/512889653.db2.gz DDADVZWZFGVQIX-FQEVSTJZSA-N 1 3 373.589 2.815 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000390541851 512909329 /nfs/dbraw/zinc/90/93/29/512909329.db2.gz HLWVJRQZOGDJIY-CIAFKFPVSA-N 1 3 357.542 2.788 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000376661116 512925345 /nfs/dbraw/zinc/92/53/45/512925345.db2.gz UYWOSZFEJRXCRI-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CN(c1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(C)CC1 ZINC000370457309 512943811 /nfs/dbraw/zinc/94/38/11/512943811.db2.gz OSATUDGITZPHDY-PZJWPPBQSA-N 1 3 356.558 2.933 20 0 FFADHO CN(c1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCN(C)CC1 ZINC000370457309 512943813 /nfs/dbraw/zinc/94/38/13/512943813.db2.gz OSATUDGITZPHDY-PZJWPPBQSA-N 1 3 356.558 2.933 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368429716 512945932 /nfs/dbraw/zinc/94/59/32/512945932.db2.gz PVSYIKJBMLTBLZ-RTWAWAEBSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000398057403 512953054 /nfs/dbraw/zinc/95/30/54/512953054.db2.gz LQCRESJJQSYERP-JRGCBEDISA-N 1 3 351.494 2.583 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000398057403 512953058 /nfs/dbraw/zinc/95/30/58/512953058.db2.gz LQCRESJJQSYERP-JRGCBEDISA-N 1 3 351.494 2.583 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398100877 512953576 /nfs/dbraw/zinc/95/35/76/512953576.db2.gz ZDRQKQLXESHIRN-PXNSSMCTSA-N 1 3 351.494 2.841 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412188145 512990745 /nfs/dbraw/zinc/99/07/45/512990745.db2.gz SESOWKONXQGOFI-UHFFFAOYSA-N 1 3 373.541 2.638 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(-n2ccnc2)cc1 ZINC000370632420 513023709 /nfs/dbraw/zinc/02/37/09/513023709.db2.gz AOMVPZCYEIEHAR-MJGOQNOKSA-N 1 3 353.514 2.691 20 0 FFADHO C[NH+](C)CC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000376956873 513067148 /nfs/dbraw/zinc/06/71/48/513067148.db2.gz HRJZLPMDDCLNJJ-IBGZPJMESA-N 1 3 365.468 2.729 20 0 FFADHO CO[C@H](C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374914829 513069752 /nfs/dbraw/zinc/06/97/52/513069752.db2.gz QFNXUAHTSRFMNM-LSTHTHJFSA-N 1 3 365.949 2.985 20 0 FFADHO CO[C@H](C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374914829 513069757 /nfs/dbraw/zinc/06/97/57/513069757.db2.gz QFNXUAHTSRFMNM-LSTHTHJFSA-N 1 3 365.949 2.985 20 0 FFADHO CO[C@H](CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374914829 513069762 /nfs/dbraw/zinc/06/97/62/513069762.db2.gz QFNXUAHTSRFMNM-LSTHTHJFSA-N 1 3 365.949 2.985 20 0 FFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000450341667 513150034 /nfs/dbraw/zinc/15/00/34/513150034.db2.gz LUANGLWJIMSKKV-IWQHBPENSA-N 1 3 360.542 2.972 20 0 FFADHO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000439626235 513153528 /nfs/dbraw/zinc/15/35/28/513153528.db2.gz VZTYJAYFNVOPSG-PWIZWCRZSA-N 1 3 373.541 2.559 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000417688262 513162430 /nfs/dbraw/zinc/16/24/30/513162430.db2.gz ITSHRYODWNNCAC-DYESRHJHSA-N 1 3 356.514 2.607 20 0 FFADHO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000412561133 513163866 /nfs/dbraw/zinc/16/38/66/513163866.db2.gz CQZAGNCAYPFYQV-UHFFFAOYSA-N 1 3 371.481 2.950 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000417692905 513166009 /nfs/dbraw/zinc/16/60/09/513166009.db2.gz YVHVRIDJMDSZNT-AHRSYUTCSA-N 1 3 372.557 2.838 20 0 FFADHO CN(C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000417730224 513184037 /nfs/dbraw/zinc/18/40/37/513184037.db2.gz DGRSROYRCIARJO-RHSMWYFYSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@H]1c1cccs1 ZINC000417730712 513184192 /nfs/dbraw/zinc/18/41/92/513184192.db2.gz DZEDHBNVLBGCPO-CBZIJGRNSA-N 1 3 362.543 2.524 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446141410 513195347 /nfs/dbraw/zinc/19/53/47/513195347.db2.gz YJALGLGWVIVGBN-HKUYNNGSSA-N 1 3 358.530 2.948 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415312127 513198601 /nfs/dbraw/zinc/19/86/01/513198601.db2.gz SNUSMWKBENQQQP-GOSISDBHSA-N 1 3 360.502 2.767 20 0 FFADHO [NH3+][C@H]1CCN(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000417828791 513225191 /nfs/dbraw/zinc/22/51/91/513225191.db2.gz PHUPHWJXVHJUNC-NRFANRHFSA-N 1 3 366.509 2.822 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417833223 513228155 /nfs/dbraw/zinc/22/81/55/513228155.db2.gz UISMFNLWBXQIQC-LMCOJAPRSA-N 1 3 358.530 2.714 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000446292438 513228655 /nfs/dbraw/zinc/22/86/55/513228655.db2.gz RHSDMHCOMAOOOD-KNKQGSTJSA-N 1 3 371.525 2.796 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000417836355 513228908 /nfs/dbraw/zinc/22/89/08/513228908.db2.gz LPWBRQPJOPGGQF-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CN1C1CC1 ZINC000428952062 513231213 /nfs/dbraw/zinc/23/12/13/513231213.db2.gz BJYFIZFKEOOURH-ZJSJBZJDSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CN1C1CC1 ZINC000428952062 513231215 /nfs/dbraw/zinc/23/12/15/513231215.db2.gz BJYFIZFKEOOURH-ZJSJBZJDSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000417845959 513234590 /nfs/dbraw/zinc/23/45/90/513234590.db2.gz SUDWFFNCRGGTDS-IMFGXOCKSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000417845967 513234792 /nfs/dbraw/zinc/23/47/92/513234792.db2.gz SUDWFFNCRGGTDS-YVWKXTFCSA-N 1 3 356.514 2.575 20 0 FFADHO c1ccc([C@@H]2C[C@H]2C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000417885650 513255565 /nfs/dbraw/zinc/25/55/65/513255565.db2.gz HDAFZCIVBIYJTM-UNMCSNQZSA-N 1 3 350.510 2.987 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000429040028 513264458 /nfs/dbraw/zinc/26/44/58/513264458.db2.gz GTXQRTOJPLADPG-QGZVFWFLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000429123360 513283328 /nfs/dbraw/zinc/28/33/28/513283328.db2.gz PPVARMVSZUJTBO-KRWDZBQOSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000434338787 513293080 /nfs/dbraw/zinc/29/30/80/513293080.db2.gz PUNHAEPNTUDRAT-ABSDTBQOSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000434338787 513293083 /nfs/dbraw/zinc/29/30/83/513293083.db2.gz PUNHAEPNTUDRAT-ABSDTBQOSA-N 1 3 362.562 2.956 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434354079 513296987 /nfs/dbraw/zinc/29/69/87/513296987.db2.gz YMWHHDKRJOARQW-IBGZPJMESA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417974347 513312193 /nfs/dbraw/zinc/31/21/93/513312193.db2.gz DFLRFYZZBAYBQM-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418010906 513333169 /nfs/dbraw/zinc/33/31/69/513333169.db2.gz KCQVTDANZNGZEN-QMMLZNLJSA-N 1 3 370.541 2.681 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[NH+](CC)CC ZINC000429331534 513343346 /nfs/dbraw/zinc/34/33/46/513343346.db2.gz RIZPEJHBOIASHZ-VQTJNVASSA-N 1 3 361.530 2.514 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418043997 513350999 /nfs/dbraw/zinc/35/09/99/513350999.db2.gz ZMYMCBBZZMFLTC-AQNXPRMDSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418162461 513399231 /nfs/dbraw/zinc/39/92/31/513399231.db2.gz UXYZAKGFRSKISV-NZSAHSFTSA-N 1 3 358.530 2.666 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N(C)C ZINC000418187574 513411220 /nfs/dbraw/zinc/41/12/20/513411220.db2.gz STJSPNYLKHFBLI-XSYGEPLQSA-N 1 3 358.530 2.627 20 0 FFADHO C[C@@H](NC(=O)N(CC[NH3+])Cc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000418189306 513413165 /nfs/dbraw/zinc/41/31/65/513413165.db2.gz VIUHWMLBDLYHNY-XLIONFOSSA-N 1 3 354.498 2.848 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418188990 513413502 /nfs/dbraw/zinc/41/35/02/513413502.db2.gz GWPJYHXCMKTLHW-FPOVZHCZSA-N 1 3 360.546 2.868 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418191170 513414866 /nfs/dbraw/zinc/41/48/66/513414866.db2.gz KMNDZOOOZUPPKS-ACRUOGEOSA-N 1 3 372.557 2.739 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCN1Cc1ccccc1 ZINC000418197990 513417450 /nfs/dbraw/zinc/41/74/50/513417450.db2.gz URENAOSXQFOZBE-DUXKGJEZSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000418209570 513423111 /nfs/dbraw/zinc/42/31/11/513423111.db2.gz ROPFWWQCZYNKQE-FAFZWHIHSA-N 1 3 362.518 2.646 20 0 FFADHO C[NH2+][C@H](C)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415805295 513430022 /nfs/dbraw/zinc/43/00/22/513430022.db2.gz MHOCMHXRXHHBNU-GFCCVEGCSA-N 1 3 354.882 2.542 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])N(C)C)cc1 ZINC000418227233 513430269 /nfs/dbraw/zinc/43/02/69/513430269.db2.gz CAJYGVJTXRVVBD-ZVZYQTTQSA-N 1 3 364.559 2.780 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418242537 513438620 /nfs/dbraw/zinc/43/86/20/513438620.db2.gz VIROOFMRHSXJEI-QRVBRYPASA-N 1 3 350.551 2.528 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000429681665 513441578 /nfs/dbraw/zinc/44/15/78/513441578.db2.gz WIJFRGDPUDUMGU-NHCUHLMSSA-N 1 3 358.574 2.609 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Cl)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000421824115 513446200 /nfs/dbraw/zinc/44/62/00/513446200.db2.gz HDBBLKDTWDRHDS-UKRRQHHQSA-N 1 3 355.885 2.587 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Cl)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000421824115 513446203 /nfs/dbraw/zinc/44/62/03/513446203.db2.gz HDBBLKDTWDRHDS-UKRRQHHQSA-N 1 3 355.885 2.587 20 0 FFADHO CN(C(=O)NCC1([NH3+])CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000418291918 513453454 /nfs/dbraw/zinc/45/34/54/513453454.db2.gz AWEFGZRBSAIYCW-UHFFFAOYSA-N 1 3 358.530 2.954 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418342035 513471824 /nfs/dbraw/zinc/47/18/24/513471824.db2.gz IDGKMMVPYCFPAY-SIKLNZKXSA-N 1 3 370.541 2.684 20 0 FFADHO CCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418351386 513478629 /nfs/dbraw/zinc/47/86/29/513478629.db2.gz ZRCHWRGWOWFIMZ-WSTZPKSXSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000418353227 513478754 /nfs/dbraw/zinc/47/87/54/513478754.db2.gz VQTBOHRMGAVYSH-UYAOXDASSA-N 1 3 360.546 2.581 20 0 FFADHO C[C@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000415949073 513494440 /nfs/dbraw/zinc/49/44/40/513494440.db2.gz VRFAJGDXWJTRFH-HNAYVOBHSA-N 1 3 356.470 2.837 20 0 FFADHO N[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000418431507 513507321 /nfs/dbraw/zinc/50/73/21/513507321.db2.gz QYLBCROJDULSDK-FQEVSTJZSA-N 1 3 358.530 2.984 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415971316 513508116 /nfs/dbraw/zinc/50/81/16/513508116.db2.gz JHAKLLVLBKEDFZ-SFHVURJKSA-N 1 3 360.502 2.945 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415971316 513508123 /nfs/dbraw/zinc/50/81/23/513508123.db2.gz JHAKLLVLBKEDFZ-SFHVURJKSA-N 1 3 360.502 2.945 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418496707 513533740 /nfs/dbraw/zinc/53/37/40/513533740.db2.gz FPYPEDHMWARCPG-HXUWFJFHSA-N 1 3 354.498 2.823 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCC[NH3+] ZINC000418517342 513541907 /nfs/dbraw/zinc/54/19/07/513541907.db2.gz YVDVXRRBDJNTRD-UHFFFAOYSA-N 1 3 360.424 2.518 20 0 FFADHO CCN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418548228 513553130 /nfs/dbraw/zinc/55/31/30/513553130.db2.gz KMTSSHJLSBICSA-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418550094 513553439 /nfs/dbraw/zinc/55/34/39/513553439.db2.gz SXEAKQLCOAAOOG-RXVVDRJESA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC000413265806 513557492 /nfs/dbraw/zinc/55/74/92/513557492.db2.gz NUKBRZVVBCFONS-MRXNPFEDSA-N 1 3 359.436 2.936 20 0 FFADHO CCSc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000435375079 513569189 /nfs/dbraw/zinc/56/91/89/513569189.db2.gz ZIENSQVOSQYMCN-PKOBYXMFSA-N 1 3 361.555 2.879 20 0 FFADHO CCCN1CCN(c2ccccc2CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000435396755 513573600 /nfs/dbraw/zinc/57/36/00/513573600.db2.gz YCGRLUZGEJTGOZ-WCRBZPEASA-N 1 3 356.558 2.933 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000441519929 513586361 /nfs/dbraw/zinc/58/63/61/513586361.db2.gz BSSHPSXHQKVCCS-MHJFOBGBSA-N 1 3 358.530 2.681 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000418643030 513588011 /nfs/dbraw/zinc/58/80/11/513588011.db2.gz AXLDOCUUHBWSFZ-VQTJNVASSA-N 1 3 372.488 2.990 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430233958 513595792 /nfs/dbraw/zinc/59/57/92/513595792.db2.gz STWJUCSBFVTJIT-NRFANRHFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430233958 513595801 /nfs/dbraw/zinc/59/58/01/513595801.db2.gz STWJUCSBFVTJIT-NRFANRHFSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418655668 513596216 /nfs/dbraw/zinc/59/62/16/513596216.db2.gz CUVXEUKTTGHTQX-RBUKOAKNSA-N 1 3 350.551 2.672 20 0 FFADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418692328 513615398 /nfs/dbraw/zinc/61/53/98/513615398.db2.gz FOISGGBAVUIRMT-CHWSQXEVSA-N 1 3 360.424 2.514 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)CCN3CCc4ccccc4C3)C2)CC1 ZINC000416183267 513629774 /nfs/dbraw/zinc/62/97/74/513629774.db2.gz XTOPHPZZXPPOHZ-NRFANRHFSA-N 1 3 355.526 2.625 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccco1 ZINC000422198548 513634855 /nfs/dbraw/zinc/63/48/55/513634855.db2.gz HHWDCLTZKXBBNT-VXLLPVPCSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418751479 513639856 /nfs/dbraw/zinc/63/98/56/513639856.db2.gz RFVHPYYHERRNQD-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418780246 513655568 /nfs/dbraw/zinc/65/55/68/513655568.db2.gz BPONJWHEQQLSHV-MHTWAQMVSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418792970 513659737 /nfs/dbraw/zinc/65/97/37/513659737.db2.gz ODTRSKNFLMOGAB-CWJKEVGVSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435769331 513680877 /nfs/dbraw/zinc/68/08/77/513680877.db2.gz JKWLHSXLXUOOIH-PKOBYXMFSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435769331 513680880 /nfs/dbraw/zinc/68/08/80/513680880.db2.gz JKWLHSXLXUOOIH-PKOBYXMFSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000430541652 513681112 /nfs/dbraw/zinc/68/11/12/513681112.db2.gz BRMXLOIXBOENHW-OLZOCXBDSA-N 1 3 354.292 2.837 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425654929 513682328 /nfs/dbraw/zinc/68/23/28/513682328.db2.gz PJKXKOKGAUBBRA-UWHLTILDSA-N 1 3 368.525 2.529 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425654929 513682331 /nfs/dbraw/zinc/68/23/31/513682331.db2.gz PJKXKOKGAUBBRA-UWHLTILDSA-N 1 3 368.525 2.529 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000430583283 513696797 /nfs/dbraw/zinc/69/67/97/513696797.db2.gz XKRKLGBARHTGQO-FQEVSTJZSA-N 1 3 357.502 2.781 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000430588190 513697835 /nfs/dbraw/zinc/69/78/35/513697835.db2.gz YSACURGUMWZYAM-OLZOCXBDSA-N 1 3 354.292 2.837 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000448222825 513711083 /nfs/dbraw/zinc/71/10/83/513711083.db2.gz LUVUEOKQNPORLZ-MOPGFXCFSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000448222825 513711088 /nfs/dbraw/zinc/71/10/88/513711088.db2.gz LUVUEOKQNPORLZ-MOPGFXCFSA-N 1 3 352.567 2.774 20 0 FFADHO [NH3+][C@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000448240343 513716061 /nfs/dbraw/zinc/71/60/61/513716061.db2.gz LHCKUWTVCDWEMJ-HXUWFJFHSA-N 1 3 353.466 2.672 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451417517 513737837 /nfs/dbraw/zinc/73/78/37/513737837.db2.gz HRZWQFUXCLLHRE-COXXTLHVSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451417517 513737847 /nfs/dbraw/zinc/73/78/47/513737847.db2.gz HRZWQFUXCLLHRE-COXXTLHVSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451417517 513737859 /nfs/dbraw/zinc/73/78/59/513737859.db2.gz HRZWQFUXCLLHRE-COXXTLHVSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451417517 513737862 /nfs/dbraw/zinc/73/78/62/513737862.db2.gz HRZWQFUXCLLHRE-COXXTLHVSA-N 1 3 350.547 2.627 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCOc1ccc2ccccc2c1 ZINC000436053578 513748332 /nfs/dbraw/zinc/74/83/32/513748332.db2.gz OIWFDLAPZCYGKZ-HXUWFJFHSA-N 1 3 369.509 2.928 20 0 FFADHO Cc1ccc(N2CCC(NCc3cc(C4CC[NH2+]CC4)no3)CC2)nc1 ZINC000425892146 513788185 /nfs/dbraw/zinc/78/81/85/513788185.db2.gz ACTBEDPRNACAOK-UHFFFAOYSA-N 1 3 355.486 2.604 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)CC(F)(F)F ZINC000413738578 513793084 /nfs/dbraw/zinc/79/30/84/513793084.db2.gz ASWLJPGUFCPYLT-HUUCEWRRSA-N 1 3 366.472 2.632 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)CC(F)(F)F ZINC000413738578 513793090 /nfs/dbraw/zinc/79/30/90/513793090.db2.gz ASWLJPGUFCPYLT-HUUCEWRRSA-N 1 3 366.472 2.632 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000436243345 513806659 /nfs/dbraw/zinc/80/66/59/513806659.db2.gz HJJBGGOHHMEMFG-UHFFFAOYSA-N 1 3 368.456 2.888 20 0 FFADHO CN(C(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)C1CCN(C)CC1 ZINC000442896678 513808357 /nfs/dbraw/zinc/80/83/57/513808357.db2.gz HNXNRBQCNWAWIW-DENIHFKCSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)C1CCN(C)CC1 ZINC000442896678 513808363 /nfs/dbraw/zinc/80/83/63/513808363.db2.gz HNXNRBQCNWAWIW-DENIHFKCSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000431042397 513813099 /nfs/dbraw/zinc/81/30/99/513813099.db2.gz HGCZZJBWZKLKDB-KRWDZBQOSA-N 1 3 355.526 2.818 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2c[nH]nc2-c2ccsc2)C1 ZINC000436401456 513845532 /nfs/dbraw/zinc/84/55/32/513845532.db2.gz PMTXFBIECDPQEU-LJQANCHMSA-N 1 3 368.506 2.995 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2c[nH]nc2-c2ccsc2)C1 ZINC000436401456 513845538 /nfs/dbraw/zinc/84/55/38/513845538.db2.gz PMTXFBIECDPQEU-LJQANCHMSA-N 1 3 368.506 2.995 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000443104422 513872571 /nfs/dbraw/zinc/87/25/71/513872571.db2.gz SHZGQCMBFLWVDH-QGZVFWFLSA-N 1 3 350.551 2.813 20 0 FFADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422704696 513907664 /nfs/dbraw/zinc/90/76/64/513907664.db2.gz AMJFMJYHIGFCSW-FCHUYYIVSA-N 1 3 357.542 2.919 20 0 FFADHO COC[C@H](CCC[NH3+])NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422719160 513911886 /nfs/dbraw/zinc/91/18/86/513911886.db2.gz XSBYVTCURNCHDV-IBGZPJMESA-N 1 3 359.445 2.922 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cc(F)ccc2SC)CC[NH2+]CC1 ZINC000422804613 513937574 /nfs/dbraw/zinc/93/75/74/513937574.db2.gz HTYIDVHPRWQDQA-ZDUSSCGKSA-N 1 3 354.491 2.959 20 0 FFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422803730 513937867 /nfs/dbraw/zinc/93/78/67/513937867.db2.gz GJWJCLYIYHFEEX-CIAFKFPVSA-N 1 3 357.542 2.570 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422853534 513953627 /nfs/dbraw/zinc/95/36/27/513953627.db2.gz ZBVGTMZAPWPTKG-VHKYSDTDSA-N 1 3 371.456 2.920 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416778394 513961957 /nfs/dbraw/zinc/96/19/57/513961957.db2.gz AJKGWDUPJLKBHG-SFTDATJTSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@H](NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422891948 513967048 /nfs/dbraw/zinc/96/70/48/513967048.db2.gz WZJRZSWLMAPTMG-LPHOPBHVSA-N 1 3 350.938 2.582 20 0 FFADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422918266 513975730 /nfs/dbraw/zinc/97/57/30/513975730.db2.gz HSFWSIXZDQOWSS-RCCFBDPRSA-N 1 3 357.498 2.703 20 0 FFADHO O=C1COc2ccccc2N1CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422918266 513975735 /nfs/dbraw/zinc/97/57/35/513975735.db2.gz HSFWSIXZDQOWSS-RCCFBDPRSA-N 1 3 357.498 2.703 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000422924033 513977263 /nfs/dbraw/zinc/97/72/63/513977263.db2.gz XLZDUUGZTHNUDY-FCXXMXSZSA-N 1 3 364.493 2.656 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416833365 513989960 /nfs/dbraw/zinc/98/99/60/513989960.db2.gz XGPSCMVQBGXYGM-FPOVZHCZSA-N 1 3 374.529 2.521 20 0 FFADHO O=C(NCCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422953551 513991083 /nfs/dbraw/zinc/99/10/83/513991083.db2.gz FPAIVZVWBDMXLG-OXQOHEQNSA-N 1 3 371.506 2.714 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416841006 513995021 /nfs/dbraw/zinc/99/50/21/513995021.db2.gz LNPOIDGZGSKGFW-CVEARBPZSA-N 1 3 352.548 2.900 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000416850720 514001811 /nfs/dbraw/zinc/00/18/11/514001811.db2.gz KKKMHCXCQFJJBF-POAQFYNOSA-N 1 3 374.529 2.649 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)Cc1ccccc1 ZINC000416851150 514002894 /nfs/dbraw/zinc/00/28/94/514002894.db2.gz QSVJNUNISPVCPW-RTWAWAEBSA-N 1 3 368.525 2.939 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000431800220 514006716 /nfs/dbraw/zinc/00/67/16/514006716.db2.gz ODLJPFLOCOOHFO-LEWJYISDSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000431800220 514006720 /nfs/dbraw/zinc/00/67/20/514006720.db2.gz ODLJPFLOCOOHFO-LEWJYISDSA-N 1 3 373.541 2.524 20 0 FFADHO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423029206 514012535 /nfs/dbraw/zinc/01/25/35/514012535.db2.gz HRVDWYNTOHCBJU-UHOFOFEASA-N 1 3 371.319 2.732 20 0 FFADHO COc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423029206 514012541 /nfs/dbraw/zinc/01/25/41/514012541.db2.gz HRVDWYNTOHCBJU-UHOFOFEASA-N 1 3 371.319 2.732 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423079998 514033076 /nfs/dbraw/zinc/03/30/76/514033076.db2.gz ZDFBIXVBFSZDPE-PMOQBDJRSA-N 1 3 367.537 2.826 20 0 FFADHO COc1cccc2c(C[NH+]3CCC(C(=O)NCCN(C)C)CC3)cccc12 ZINC000449019529 514033336 /nfs/dbraw/zinc/03/33/36/514033336.db2.gz NIRJJZADSDYHOL-UHFFFAOYSA-N 1 3 369.509 2.738 20 0 FFADHO C[C@H](CCCC[NH3+])NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423086872 514035247 /nfs/dbraw/zinc/03/52/47/514035247.db2.gz MUGQMSNJUNXBKQ-LLVKDONJSA-N 1 3 352.422 2.716 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1cccc(OC)c1 ZINC000416905259 514036955 /nfs/dbraw/zinc/03/69/55/514036955.db2.gz FZIPMBPLPUAXPW-GOSISDBHSA-N 1 3 364.534 2.704 20 0 FFADHO N[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000416903687 514037718 /nfs/dbraw/zinc/03/77/18/514037718.db2.gz NRNUTZRLUFNSCB-FQEVSTJZSA-N 1 3 352.482 2.782 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cn1 ZINC000414313215 514044533 /nfs/dbraw/zinc/04/45/33/514044533.db2.gz XOUXBHXVRTVCBQ-GOSISDBHSA-N 1 3 369.509 2.638 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416924144 514048193 /nfs/dbraw/zinc/04/81/93/514048193.db2.gz OUGWZUJJYUGQOP-FQEVSTJZSA-N 1 3 374.529 2.687 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423130017 514054002 /nfs/dbraw/zinc/05/40/02/514054002.db2.gz XWGBNPMYHZMDKT-WHOFXGATSA-N 1 3 366.303 2.815 20 0 FFADHO COC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000414338899 514054837 /nfs/dbraw/zinc/05/48/37/514054837.db2.gz KYLALVLXJHKFGB-OAQYLSRUSA-N 1 3 373.541 2.679 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000423143616 514058080 /nfs/dbraw/zinc/05/80/80/514058080.db2.gz XOPKBOIFJRSMDK-IIMDRIAPSA-N 1 3 362.514 2.508 20 0 FFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414349274 514059138 /nfs/dbraw/zinc/05/91/38/514059138.db2.gz YOTNFSBCUWOKMO-SFTDATJTSA-N 1 3 373.541 2.679 20 0 FFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)c(Br)c1 ZINC000423151445 514062172 /nfs/dbraw/zinc/06/21/72/514062172.db2.gz DFBSVXWAJLMKOF-RDGKXADDSA-N 1 3 371.294 2.612 20 0 FFADHO CN(Cc1ccccc1)C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423155585 514063785 /nfs/dbraw/zinc/06/37/85/514063785.db2.gz QUWIZSJFYYKJJS-PWRODBHTSA-N 1 3 357.542 2.788 20 0 FFADHO CCC(CC)[C@H](CNC(=O)NCc1ccc2c(c1)CNC2)[NH+]1CCCC1 ZINC000416962984 514069373 /nfs/dbraw/zinc/06/93/73/514069373.db2.gz UTIODGQTHZLLHQ-FQEVSTJZSA-N 1 3 358.530 2.990 20 0 FFADHO Cc1nc2n(n1)C[C@@H](NC1CC[NH+]([C@@H](C)Cc3ccccc3)CC1)CC2 ZINC000449114935 514078990 /nfs/dbraw/zinc/07/89/90/514078990.db2.gz FUGFYNUUSOFTSB-JXFKEZNVSA-N 1 3 353.514 2.587 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449129967 514084247 /nfs/dbraw/zinc/08/42/47/514084247.db2.gz DYFRWAIHNBKGOF-CZUORRHYSA-N 1 3 355.448 2.954 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000420315552 514087967 /nfs/dbraw/zinc/08/79/67/514087967.db2.gz RXQOSGTZCXOEOY-KDOFPFPSSA-N 1 3 351.441 2.517 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000416985628 514094121 /nfs/dbraw/zinc/09/41/21/514094121.db2.gz YVEBHMXSJYJXHH-HKUYNNGSSA-N 1 3 358.530 2.776 20 0 FFADHO [NH3+]C[C@@H]1CN(CCOc2ccccc2C(F)(F)F)CC12CCOCC2 ZINC000420323623 514095668 /nfs/dbraw/zinc/09/56/68/514095668.db2.gz GKZUIJYZMUMQHS-CQSZACIVSA-N 1 3 358.404 2.772 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000449163087 514097146 /nfs/dbraw/zinc/09/71/46/514097146.db2.gz UYEXZNBIMZFZJN-KRWDZBQOSA-N 1 3 355.473 2.879 20 0 FFADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423291141 514100422 /nfs/dbraw/zinc/10/04/22/514100422.db2.gz GZXPWSGLOLVKGV-STQMWFEESA-N 1 3 364.287 2.809 20 0 FFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345688 514104733 /nfs/dbraw/zinc/10/47/33/514104733.db2.gz WJQJZMMFKSOVHH-SDWDRVFYSA-N 1 3 359.558 2.781 20 0 FFADHO CC(C)C[C@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)C(=O)NCCN(C)C ZINC000449209583 514112844 /nfs/dbraw/zinc/11/28/44/514112844.db2.gz UZTMCDHPKMRNRO-KDOFPFPSSA-N 1 3 355.473 2.750 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000423345823 514113474 /nfs/dbraw/zinc/11/34/74/514113474.db2.gz ZEBZYGFTHYDPRI-UHFFFAOYSA-N 1 3 351.494 2.627 20 0 FFADHO CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417013389 514118111 /nfs/dbraw/zinc/11/81/11/514118111.db2.gz CACHAEHUIPNTNT-JIRNRHONSA-N 1 3 356.514 2.748 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)Cc1ccccc1 ZINC000417013525 514119269 /nfs/dbraw/zinc/11/92/69/514119269.db2.gz YQVYSHQJUIETGB-LEWJYISDSA-N 1 3 368.525 2.939 20 0 FFADHO C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423393807 514126348 /nfs/dbraw/zinc/12/63/48/514126348.db2.gz RAUFLZWBGUDFKJ-JTSKRJEESA-N 1 3 351.494 2.841 20 0 FFADHO FC(F)(F)[C@@H](CN[C@@H]1CCCc2c3ccccc3[nH]c21)N1CC[NH2+]CC1 ZINC000423397609 514127428 /nfs/dbraw/zinc/12/74/28/514127428.db2.gz SRGSPQHGCFDXNK-IAGOWNOFSA-N 1 3 366.431 2.971 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CCCCC1 ZINC000427153404 514133055 /nfs/dbraw/zinc/13/30/55/514133055.db2.gz BTCYAPJHICGOGH-IBGZPJMESA-N 1 3 365.562 2.602 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000427180240 514141712 /nfs/dbraw/zinc/14/17/12/514141712.db2.gz VJSVRDFYMCXGKV-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1(C)C ZINC000444185947 514149069 /nfs/dbraw/zinc/14/90/69/514149069.db2.gz QFBRXHGUFYKLDK-UGKGYDQZSA-N 1 3 373.541 2.821 20 0 FFADHO C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000417088431 514162456 /nfs/dbraw/zinc/16/24/56/514162456.db2.gz KNVHUSGKCBIFDY-QFBILLFUSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)N1[C@H](C)CC[C@H]1C ZINC000444234522 514163901 /nfs/dbraw/zinc/16/39/01/514163901.db2.gz GZCCQTDXNHPBDV-BZUAXINKSA-N 1 3 360.502 2.754 20 0 FFADHO COc1cc(C)c(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000414528689 514165609 /nfs/dbraw/zinc/16/56/09/514165609.db2.gz UINSOXOISAUOQQ-UHFFFAOYSA-N 1 3 369.509 2.824 20 0 FFADHO CC1CC[NH+](CCC[C@H](NC[C@H]2CNCCO2)c2ccc(F)cc2)CC1 ZINC000423541832 514165815 /nfs/dbraw/zinc/16/58/15/514165815.db2.gz AZKANTDRIFXCNT-RTWAWAEBSA-N 1 3 363.521 2.957 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000444269127 514174334 /nfs/dbraw/zinc/17/43/34/514174334.db2.gz KLJIWAQQDSHKIN-AEFFLSMTSA-N 1 3 369.431 2.699 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449397030 514196038 /nfs/dbraw/zinc/19/60/38/514196038.db2.gz UFWPJZOLOQBXMB-WBADGQHESA-N 1 3 371.569 2.724 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417176521 514211370 /nfs/dbraw/zinc/21/13/70/514211370.db2.gz CHOFNTWGIYVISI-HKBOAZHASA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417178024 514211803 /nfs/dbraw/zinc/21/18/03/514211803.db2.gz DKGLTXBAFBYFTD-NRFANRHFSA-N 1 3 368.525 2.720 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417181583 514214846 /nfs/dbraw/zinc/21/48/46/514214846.db2.gz IDWPTHLORGZXPA-NHCUHLMSSA-N 1 3 368.525 2.939 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000423769956 514224434 /nfs/dbraw/zinc/22/44/34/514224434.db2.gz CWOMQUSNJSIJOJ-UIAACRFSSA-N 1 3 355.457 2.505 20 0 FFADHO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](N)c1ccccc1 ZINC000423777831 514225839 /nfs/dbraw/zinc/22/58/39/514225839.db2.gz CEZIHFJXXKDTKA-OXJNMPFZSA-N 1 3 352.482 2.750 20 0 FFADHO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](N)c1ccccc1 ZINC000423777833 514226184 /nfs/dbraw/zinc/22/61/84/514226184.db2.gz CEZIHFJXXKDTKA-UZLBHIALSA-N 1 3 352.482 2.750 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423787095 514227613 /nfs/dbraw/zinc/22/76/13/514227613.db2.gz WEXPRLLBMMKPQQ-FECVVGHTSA-N 1 3 355.526 2.777 20 0 FFADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423791108 514229932 /nfs/dbraw/zinc/22/99/32/514229932.db2.gz GSRSDUJABZGIAJ-XUVXKRRUSA-N 1 3 358.530 2.660 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417212113 514233820 /nfs/dbraw/zinc/23/38/20/514233820.db2.gz HPZIKUQSKDWMIT-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000414673657 514234908 /nfs/dbraw/zinc/23/49/08/514234908.db2.gz JDILZWJFOAZAGH-XMSQKQJNSA-N 1 3 363.505 2.831 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000414673657 514234911 /nfs/dbraw/zinc/23/49/11/514234911.db2.gz JDILZWJFOAZAGH-XMSQKQJNSA-N 1 3 363.505 2.831 20 0 FFADHO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676115 514236674 /nfs/dbraw/zinc/23/66/74/514236674.db2.gz MXMVNTOREUXELO-KBPBESRZSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676115 514236684 /nfs/dbraw/zinc/23/66/84/514236684.db2.gz MXMVNTOREUXELO-KBPBESRZSA-N 1 3 357.420 2.896 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000417220589 514241469 /nfs/dbraw/zinc/24/14/69/514241469.db2.gz LWYWNIGNWKDETN-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449530125 514243404 /nfs/dbraw/zinc/24/34/04/514243404.db2.gz CEPWJZVYICWZLM-QAPCUYQASA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000417224726 514244419 /nfs/dbraw/zinc/24/44/19/514244419.db2.gz VZJUMKZRPMWXBG-GHTZIAJQSA-N 1 3 366.509 2.992 20 0 FFADHO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414712139 514253239 /nfs/dbraw/zinc/25/32/39/514253239.db2.gz UTRGZGZXGRNORE-GOSISDBHSA-N 1 3 351.494 2.983 20 0 FFADHO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414712139 514253245 /nfs/dbraw/zinc/25/32/45/514253245.db2.gz UTRGZGZXGRNORE-GOSISDBHSA-N 1 3 351.494 2.983 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423852609 514263269 /nfs/dbraw/zinc/26/32/69/514263269.db2.gz SDIDIQVQLOFWGI-UZLBHIALSA-N 1 3 352.482 2.813 20 0 FFADHO CCO[C@H](C)c1nc(CN2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cs1 ZINC000414741924 514267195 /nfs/dbraw/zinc/26/71/95/514267195.db2.gz LIBMFKHPRKVDKK-BBWFWOEESA-N 1 3 366.575 2.746 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000423893431 514279573 /nfs/dbraw/zinc/27/95/73/514279573.db2.gz KXPNRTYPRJFEOL-HOJAQTOUSA-N 1 3 359.514 2.856 20 0 FFADHO COc1cc(CN2CCC[C@@H](OC)C2)cc(C[N@@H+]2CCC[C@@H](OC)C2)c1 ZINC000432769617 514280258 /nfs/dbraw/zinc/28/02/58/514280258.db2.gz CRNHYXAEEWGGOK-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN2CCC[C@@H](OC)C2)cc(C[N@H+]2CCC[C@@H](OC)C2)c1 ZINC000432769617 514280264 /nfs/dbraw/zinc/28/02/64/514280264.db2.gz CRNHYXAEEWGGOK-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO Brc1cc2c(cc1CN1CC[C@H]3C[NH2+]C[C@H]3CC1)OCO2 ZINC000414765426 514280693 /nfs/dbraw/zinc/28/06/93/514280693.db2.gz FYVMYCJLWPYKAO-TXEJJXNPSA-N 1 3 353.260 2.609 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C[C@H]1CCCN1C ZINC000420799096 514306572 /nfs/dbraw/zinc/30/65/72/514306572.db2.gz IHAGJMIRQSOKEA-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C[C@H]1CCCN1C ZINC000420799096 514306579 /nfs/dbraw/zinc/30/65/79/514306579.db2.gz IHAGJMIRQSOKEA-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000414889954 514342279 /nfs/dbraw/zinc/34/22/79/514342279.db2.gz TTXJLKXBPPJKLW-UHFFFAOYSA-N 1 3 354.454 2.552 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000424031225 514349511 /nfs/dbraw/zinc/34/95/11/514349511.db2.gz GZGGKEZMCGPREM-QUCCMNQESA-N 1 3 355.457 2.844 20 0 FFADHO CC(C)(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H](N)c1ccccc1 ZINC000424047083 514356598 /nfs/dbraw/zinc/35/65/98/514356598.db2.gz UFXGWXXRPIQIQE-RBUQQAGCSA-N 1 3 355.526 2.982 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000438427081 514378047 /nfs/dbraw/zinc/37/80/47/514378047.db2.gz MTSKGWBQCYDKGP-NJDAHSKKSA-N 1 3 372.557 2.990 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000438427081 514378056 /nfs/dbraw/zinc/37/80/56/514378056.db2.gz MTSKGWBQCYDKGP-NJDAHSKKSA-N 1 3 372.557 2.990 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000420928351 514381932 /nfs/dbraw/zinc/38/19/32/514381932.db2.gz PIAZYTZOTUTMQZ-OALUTQOASA-N 1 3 367.578 2.845 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000420928351 514381936 /nfs/dbraw/zinc/38/19/36/514381936.db2.gz PIAZYTZOTUTMQZ-OALUTQOASA-N 1 3 367.578 2.845 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3ccc4c(c3)OC(F)(F)O4)CC2)CC1 ZINC000424164520 514403200 /nfs/dbraw/zinc/40/32/00/514403200.db2.gz ZMTJRIQMDLTFQO-UHFFFAOYSA-N 1 3 367.440 2.656 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(-n4cccn4)c3)CC2)CC1 ZINC000420978601 514417873 /nfs/dbraw/zinc/41/78/73/514417873.db2.gz JELLAIWYOXJKFK-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(-n4cccn4)c3)CC2)CC1 ZINC000420978601 514417878 /nfs/dbraw/zinc/41/78/78/514417878.db2.gz JELLAIWYOXJKFK-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO C[C@H]1C[C@H](CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000415091496 514439365 /nfs/dbraw/zinc/43/93/65/514439365.db2.gz QIXWDZXPGPUQEH-JKSUJKDBSA-N 1 3 352.544 2.736 20 0 FFADHO COc1ccccc1[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415093775 514440227 /nfs/dbraw/zinc/44/02/27/514440227.db2.gz VXHOMFLHPHFXIA-HTAPYJJXSA-N 1 3 367.493 2.572 20 0 FFADHO C[C@@H](OCCCNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289024 514447173 /nfs/dbraw/zinc/44/71/73/514447173.db2.gz LHCAAJDCTWWPBE-RBUKOAKNSA-N 1 3 373.541 2.735 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)N1CCC(Cc3ccccc3)CC1)CC[NH2+]CC2 ZINC000424302275 514452542 /nfs/dbraw/zinc/45/25/42/514452542.db2.gz ZCDSWKAELPLYPO-LJQANCHMSA-N 1 3 369.553 2.932 20 0 FFADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000424321042 514455664 /nfs/dbraw/zinc/45/56/64/514455664.db2.gz IGNNISZZRDUJAL-XSDIEEQYSA-N 1 3 355.526 2.745 20 0 FFADHO Cn1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000415131722 514458515 /nfs/dbraw/zinc/45/85/15/514458515.db2.gz JUQJRGSZGDSEMQ-UHFFFAOYSA-N 1 3 369.557 2.801 20 0 FFADHO CCC[C@H](CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415133406 514460327 /nfs/dbraw/zinc/46/03/27/514460327.db2.gz CEJZZSMUPSWZAQ-HMXCVIKNSA-N 1 3 370.541 2.790 20 0 FFADHO CC(C)c1ccc(CCN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415145415 514468388 /nfs/dbraw/zinc/46/83/88/514468388.db2.gz XCGFOCKMCIBGBQ-SFTDATJTSA-N 1 3 370.541 2.573 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCN1C ZINC000466030935 514542425 /nfs/dbraw/zinc/54/24/25/514542425.db2.gz DJBXRQGIHQUXIS-ZSYWTGECSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCN1C ZINC000466030935 514542436 /nfs/dbraw/zinc/54/24/36/514542436.db2.gz DJBXRQGIHQUXIS-ZSYWTGECSA-N 1 3 350.551 2.765 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475140771 514571244 /nfs/dbraw/zinc/57/12/44/514571244.db2.gz STCGJUAFJMPMLZ-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475140771 514571247 /nfs/dbraw/zinc/57/12/47/514571247.db2.gz STCGJUAFJMPMLZ-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475167219 514577410 /nfs/dbraw/zinc/57/74/10/514577410.db2.gz APLVJDZEKXEQLH-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475167219 514577416 /nfs/dbraw/zinc/57/74/16/514577416.db2.gz APLVJDZEKXEQLH-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453258613 514581223 /nfs/dbraw/zinc/58/12/23/514581223.db2.gz HYUSDUTWGKOWLX-KAOXLYBCSA-N 1 3 371.569 2.866 20 0 FFADHO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(C)C ZINC000453274754 514585326 /nfs/dbraw/zinc/58/53/26/514585326.db2.gz DEARMKOPTUBCHH-BQJUDKOJSA-N 1 3 357.542 2.990 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000458157090 514590612 /nfs/dbraw/zinc/59/06/12/514590612.db2.gz CEPPCFXSMDMTRO-MJGOQNOKSA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000458157090 514590620 /nfs/dbraw/zinc/59/06/20/514590620.db2.gz CEPPCFXSMDMTRO-MJGOQNOKSA-N 1 3 361.505 2.886 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000479461141 514592078 /nfs/dbraw/zinc/59/20/78/514592078.db2.gz NJFPBBAFIUUPES-MRXNPFEDSA-N 1 3 367.559 2.723 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475270589 514598804 /nfs/dbraw/zinc/59/88/04/514598804.db2.gz RPDXSAMMKXHTAR-SFTDATJTSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475270589 514598816 /nfs/dbraw/zinc/59/88/16/514598816.db2.gz RPDXSAMMKXHTAR-SFTDATJTSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C2CC2)n1 ZINC000455616178 514637499 /nfs/dbraw/zinc/63/74/99/514637499.db2.gz IFBGUYLGJLPZGX-QGZVFWFLSA-N 1 3 359.518 2.839 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C2CC2)n1 ZINC000455616178 514637505 /nfs/dbraw/zinc/63/75/05/514637505.db2.gz IFBGUYLGJLPZGX-QGZVFWFLSA-N 1 3 359.518 2.839 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000455620941 514641388 /nfs/dbraw/zinc/64/13/88/514641388.db2.gz SNNUDZVUDQTKKL-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000455620941 514641397 /nfs/dbraw/zinc/64/13/97/514641397.db2.gz SNNUDZVUDQTKKL-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)c2nccn2c1 ZINC000455640557 514651978 /nfs/dbraw/zinc/65/19/78/514651978.db2.gz JPIGKSMQIIVBGB-GOSISDBHSA-N 1 3 372.517 2.523 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)c2nccn2c1 ZINC000455640557 514651990 /nfs/dbraw/zinc/65/19/90/514651990.db2.gz JPIGKSMQIIVBGB-GOSISDBHSA-N 1 3 372.517 2.523 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000458259546 514668418 /nfs/dbraw/zinc/66/84/18/514668418.db2.gz GSZQHAMDZOZMJW-RTWAWAEBSA-N 1 3 372.557 2.675 20 0 FFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000458259546 514668431 /nfs/dbraw/zinc/66/84/31/514668431.db2.gz GSZQHAMDZOZMJW-RTWAWAEBSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000466515748 514669191 /nfs/dbraw/zinc/66/91/91/514669191.db2.gz PDZJEYQBVSDZRL-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466513463 514669615 /nfs/dbraw/zinc/66/96/15/514669615.db2.gz IFZJKBQEAICSMO-UYAOXDASSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466513463 514669625 /nfs/dbraw/zinc/66/96/25/514669625.db2.gz IFZJKBQEAICSMO-UYAOXDASSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000461717338 514702940 /nfs/dbraw/zinc/70/29/40/514702940.db2.gz SKTKLNBKPIGLKU-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO CCC[C@](C)(N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000498083080 514755602 /nfs/dbraw/zinc/75/56/02/514755602.db2.gz YELSELCYZSEJIT-FQEVSTJZSA-N 1 3 360.502 2.957 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1 ZINC000498199437 514800799 /nfs/dbraw/zinc/80/07/99/514800799.db2.gz XVRWOWPQIXPQQQ-SVFBPWRDSA-N 1 3 361.530 2.720 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000458451173 514806909 /nfs/dbraw/zinc/80/69/09/514806909.db2.gz VUIIKFLNLCHELU-KYJSFNMBSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000458451173 514806922 /nfs/dbraw/zinc/80/69/22/514806922.db2.gz VUIIKFLNLCHELU-KYJSFNMBSA-N 1 3 364.559 2.793 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(F)cc2cccnc21 ZINC000502928154 514845577 /nfs/dbraw/zinc/84/55/77/514845577.db2.gz DUULRZJPLHGWIP-GOSISDBHSA-N 1 3 372.488 2.862 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(F)cc2cccnc21 ZINC000502928154 514845587 /nfs/dbraw/zinc/84/55/87/514845587.db2.gz DUULRZJPLHGWIP-GOSISDBHSA-N 1 3 372.488 2.862 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458503689 514850604 /nfs/dbraw/zinc/85/06/04/514850604.db2.gz MFOQTKQNZQREQL-GIVPXCGWSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458503689 514850609 /nfs/dbraw/zinc/85/06/09/514850609.db2.gz MFOQTKQNZQREQL-GIVPXCGWSA-N 1 3 372.557 2.928 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[NH+]3CCCC3)c(C)c2)CC1 ZINC000489489426 514867255 /nfs/dbraw/zinc/86/72/55/514867255.db2.gz SESXJQFDEHQSKQ-UHFFFAOYSA-N 1 3 373.545 2.696 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000489488108 514867943 /nfs/dbraw/zinc/86/79/43/514867943.db2.gz WEULXEBWBUZEFB-KAGYGMCKSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000489488108 514867951 /nfs/dbraw/zinc/86/79/51/514867951.db2.gz WEULXEBWBUZEFB-KAGYGMCKSA-N 1 3 370.541 2.634 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)CCN2CCc3ccccc3C2)c1 ZINC000471401688 514870052 /nfs/dbraw/zinc/87/00/52/514870052.db2.gz QOLPAUFICLJESB-UHFFFAOYSA-N 1 3 351.494 2.813 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000503014138 514880784 /nfs/dbraw/zinc/88/07/84/514880784.db2.gz ZXIADOBBWSHYMW-XSLAUPDRSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000503014138 514880794 /nfs/dbraw/zinc/88/07/94/514880794.db2.gz ZXIADOBBWSHYMW-XSLAUPDRSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NCCC[NH+]1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000503124762 514929305 /nfs/dbraw/zinc/92/93/05/514929305.db2.gz GHJJTWVFOUMOQI-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H](N2CC=CC2)C1)[NH+](C)C ZINC000508878188 514935382 /nfs/dbraw/zinc/93/53/82/514935382.db2.gz GUGJPXHVJNQJIF-GGPKGHCWSA-N 1 3 356.514 2.642 20 0 FFADHO COCC[NH+]1CCC(NC[C@@H](OC(C)C)c2ccccc2OC)CC1 ZINC000471584286 514940287 /nfs/dbraw/zinc/94/02/87/514940287.db2.gz FZYLATUGZCSBFU-HXUWFJFHSA-N 1 3 350.503 2.862 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000503419872 515026056 /nfs/dbraw/zinc/02/60/56/515026056.db2.gz HWVNXHCDAQAKEN-ACBHZAAOSA-N 1 3 362.493 2.745 20 0 FFADHO NC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471858814 515034156 /nfs/dbraw/zinc/03/41/56/515034156.db2.gz UJAYZXWGSHVMKA-NHCUHLMSSA-N 1 3 351.494 2.958 20 0 FFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCC1(SC)CCN(C)CC1 ZINC000462510335 515096064 /nfs/dbraw/zinc/09/60/64/515096064.db2.gz GWOWETFLQJEAMA-UHFFFAOYSA-N 1 3 370.607 2.721 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000490165823 515126205 /nfs/dbraw/zinc/12/62/05/515126205.db2.gz QURVKHCBUKDBLL-RBBKRZOGSA-N 1 3 370.541 2.634 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000490165823 515126215 /nfs/dbraw/zinc/12/62/15/515126215.db2.gz QURVKHCBUKDBLL-RBBKRZOGSA-N 1 3 370.541 2.634 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)N(C)C)cc1 ZINC000458905247 515186594 /nfs/dbraw/zinc/18/65/94/515186594.db2.gz VJABGGYVLJFUPT-YJBOKZPZSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)N(C)C)cc1 ZINC000458905247 515186601 /nfs/dbraw/zinc/18/66/01/515186601.db2.gz VJABGGYVLJFUPT-YJBOKZPZSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[N@@H+](C2CCC2)C1 ZINC000490357739 515187949 /nfs/dbraw/zinc/18/79/49/515187949.db2.gz ATSFZSLIVBPONL-FUHWJXTLSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[N@H+](C2CCC2)C1 ZINC000490357739 515187957 /nfs/dbraw/zinc/18/79/57/515187957.db2.gz ATSFZSLIVBPONL-FUHWJXTLSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000476825578 515208201 /nfs/dbraw/zinc/20/82/01/515208201.db2.gz XBCJOURDHNGHBC-QYZOEREBSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000476825578 515208214 /nfs/dbraw/zinc/20/82/14/515208214.db2.gz XBCJOURDHNGHBC-QYZOEREBSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000476825572 515208810 /nfs/dbraw/zinc/20/88/10/515208810.db2.gz XBCJOURDHNGHBC-GUDVDZBRSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000476825572 515208813 /nfs/dbraw/zinc/20/88/13/515208813.db2.gz XBCJOURDHNGHBC-GUDVDZBRSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000472353197 515239866 /nfs/dbraw/zinc/23/98/66/515239866.db2.gz YUXXNTRCAJEGBG-AZUAARDMSA-N 1 3 357.542 2.929 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccco1 ZINC000509582930 515244279 /nfs/dbraw/zinc/24/42/79/515244279.db2.gz IUTQHJVTNHWCCA-IRXDYDNUSA-N 1 3 350.507 2.836 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)[C@H]2C1 ZINC000458980138 515245589 /nfs/dbraw/zinc/24/55/89/515245589.db2.gz RLQRREBEEXSYAV-UXHICEINSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)[C@H]2C1 ZINC000458980138 515245596 /nfs/dbraw/zinc/24/55/96/515245596.db2.gz RLQRREBEEXSYAV-UXHICEINSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000476960212 515267100 /nfs/dbraw/zinc/26/71/00/515267100.db2.gz IYZFPROTVNRTFQ-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000454146135 515268566 /nfs/dbraw/zinc/26/85/66/515268566.db2.gz IHJXAURVBLPEOB-HOTGVXAUSA-N 1 3 352.548 2.770 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000476988855 515279061 /nfs/dbraw/zinc/27/90/61/515279061.db2.gz ZWXSBZBGRJTWTL-GOSISDBHSA-N 1 3 350.482 2.604 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504346650 515281446 /nfs/dbraw/zinc/28/14/46/515281446.db2.gz XXELSKPRDHKRPC-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504346650 515281458 /nfs/dbraw/zinc/28/14/58/515281458.db2.gz XXELSKPRDHKRPC-VAMGGRTRSA-N 1 3 356.514 2.750 20 0 FFADHO c1ccc(C[N@H+]2CCC3(C2)CCN(CCN2CCCOCC2)CC3)cc1 ZINC000463141410 515379596 /nfs/dbraw/zinc/37/95/96/515379596.db2.gz BSPRGYZJNIGXQI-UHFFFAOYSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(C[N@@H+]2CCC3(C2)CCN(CCN2CCCOCC2)CC3)cc1 ZINC000463141410 515379602 /nfs/dbraw/zinc/37/96/02/515379602.db2.gz BSPRGYZJNIGXQI-UHFFFAOYSA-N 1 3 357.542 2.697 20 0 FFADHO CC1(C)CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000481650888 515414025 /nfs/dbraw/zinc/41/40/25/515414025.db2.gz CKPFRVBKFOGXND-NRFANRHFSA-N 1 3 359.558 2.779 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456794002 515426641 /nfs/dbraw/zinc/42/66/41/515426641.db2.gz QUIKDMXBESYFQK-CZUORRHYSA-N 1 3 365.905 2.949 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456794002 515426650 /nfs/dbraw/zinc/42/66/50/515426650.db2.gz QUIKDMXBESYFQK-CZUORRHYSA-N 1 3 365.905 2.949 20 0 FFADHO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(CN(C)C)cc1)CC(C)C ZINC000477447737 515461056 /nfs/dbraw/zinc/46/10/56/515461056.db2.gz BXLPOVQGSOKLBG-GOSISDBHSA-N 1 3 369.575 2.783 20 0 FFADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473026643 515484662 /nfs/dbraw/zinc/48/46/62/515484662.db2.gz YBEXIRQLYBRQLJ-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473026643 515484672 /nfs/dbraw/zinc/48/46/72/515484672.db2.gz YBEXIRQLYBRQLJ-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C3=CCCC3)CC2)CC1 ZINC000454468830 515512478 /nfs/dbraw/zinc/51/24/78/515512478.db2.gz ZZJHITDAWJZBSK-UHFFFAOYSA-N 1 3 362.562 2.981 20 0 FFADHO c1cc(N2CCC([NH2+]CCCc3nnc4n3CCCCC4)CC2)ccn1 ZINC000459411792 515535611 /nfs/dbraw/zinc/53/56/11/515535611.db2.gz UYEYWDVRUQQFEG-UHFFFAOYSA-N 1 3 354.502 2.591 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC[NH+]1CCCC1 ZINC000468837024 515544408 /nfs/dbraw/zinc/54/44/08/515544408.db2.gz FKUOUMLVIUDEMK-HXUWFJFHSA-N 1 3 360.546 2.928 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000500092255 515588047 /nfs/dbraw/zinc/58/80/47/515588047.db2.gz VNODTAHKQGTTAT-PPSBMQLTSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000454657007 515645827 /nfs/dbraw/zinc/64/58/27/515645827.db2.gz ZQCULECKWIROCB-HBFSDRIKSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@H+]1C ZINC000454657007 515645837 /nfs/dbraw/zinc/64/58/37/515645837.db2.gz ZQCULECKWIROCB-HBFSDRIKSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000505744623 515654226 /nfs/dbraw/zinc/65/42/26/515654226.db2.gz RVVQJKKLNYPXST-FQEVSTJZSA-N 1 3 373.541 2.964 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000505744623 515654238 /nfs/dbraw/zinc/65/42/38/515654238.db2.gz RVVQJKKLNYPXST-FQEVSTJZSA-N 1 3 373.541 2.964 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(OC)c1 ZINC000505755224 515657146 /nfs/dbraw/zinc/65/71/46/515657146.db2.gz QYJLYRGEMJPKQH-MJGOQNOKSA-N 1 3 361.530 2.673 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(OC)c1 ZINC000505755224 515657155 /nfs/dbraw/zinc/65/71/55/515657155.db2.gz QYJLYRGEMJPKQH-MJGOQNOKSA-N 1 3 361.530 2.673 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)N(CC[NH+](C)C)CC(C)C)CC2)c1 ZINC000469116936 515677994 /nfs/dbraw/zinc/67/79/94/515677994.db2.gz YFJHKRWFAHOYCY-UHFFFAOYSA-N 1 3 374.573 2.553 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCOc1cccc(C)c1 ZINC000505822593 515685202 /nfs/dbraw/zinc/68/52/02/515685202.db2.gz ASFXNJPAHOYHEG-IBGZPJMESA-N 1 3 361.530 2.638 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCOc1cccc(C)c1 ZINC000505822593 515685212 /nfs/dbraw/zinc/68/52/12/515685212.db2.gz ASFXNJPAHOYHEG-IBGZPJMESA-N 1 3 361.530 2.638 20 0 FFADHO CCOc1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1F ZINC000486960168 515698414 /nfs/dbraw/zinc/69/84/14/515698414.db2.gz BAXGJHMQYIFCAY-UHFFFAOYSA-N 1 3 372.488 2.921 20 0 FFADHO C[C@H](C(=O)NCC1(N2CCSCC2)CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000510894148 515706685 /nfs/dbraw/zinc/70/66/85/515706685.db2.gz NSSHXMWHSQZPCY-BRWVUGGUSA-N 1 3 353.576 2.726 20 0 FFADHO CCN(CCNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000487024735 515724818 /nfs/dbraw/zinc/72/48/18/515724818.db2.gz AFRLRJXKMVTYEH-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(CCNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000487024735 515724824 /nfs/dbraw/zinc/72/48/24/515724824.db2.gz AFRLRJXKMVTYEH-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(I)cc1 ZINC000511027835 515749566 /nfs/dbraw/zinc/74/95/66/515749566.db2.gz JAMWFVJGNSHTPF-WFASDCNBSA-N 1 3 374.266 2.600 20 0 FFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(I)cc1 ZINC000511027835 515749572 /nfs/dbraw/zinc/74/95/72/515749572.db2.gz JAMWFVJGNSHTPF-WFASDCNBSA-N 1 3 374.266 2.600 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000469312077 515764474 /nfs/dbraw/zinc/76/44/74/515764474.db2.gz YPZKOWPALHZNLX-OAQYLSRUSA-N 1 3 370.541 2.529 20 0 FFADHO C[C@H]1CCc2c(F)cccc2[C@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482895595 515838862 /nfs/dbraw/zinc/83/88/62/515838862.db2.gz YMBSEZHBGZSLHC-BTYIYWSLSA-N 1 3 361.505 2.981 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000474007230 515839432 /nfs/dbraw/zinc/83/94/32/515839432.db2.gz FNQCPJUBXZDBQW-NRFANRHFSA-N 1 3 351.494 2.928 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000474032425 515850292 /nfs/dbraw/zinc/85/02/92/515850292.db2.gz JTLDWTDXUQQMRA-ARXXEPJESA-N 1 3 372.557 2.925 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000474032425 515850298 /nfs/dbraw/zinc/85/02/98/515850298.db2.gz JTLDWTDXUQQMRA-ARXXEPJESA-N 1 3 372.557 2.925 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000500870645 515890195 /nfs/dbraw/zinc/89/01/95/515890195.db2.gz UQEMZIGZDOJCCK-OAQYLSRUSA-N 1 3 372.557 2.999 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000500870645 515890201 /nfs/dbraw/zinc/89/02/01/515890201.db2.gz UQEMZIGZDOJCCK-OAQYLSRUSA-N 1 3 372.557 2.999 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccco1 ZINC000494648603 515909162 /nfs/dbraw/zinc/90/91/62/515909162.db2.gz NMCMUDQDVPFCDG-GVDBMIGSSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccco1 ZINC000494648603 515909168 /nfs/dbraw/zinc/90/91/68/515909168.db2.gz NMCMUDQDVPFCDG-GVDBMIGSSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000494899438 516002053 /nfs/dbraw/zinc/00/20/53/516002053.db2.gz BAEUQVFOYSDBKO-QMMLZNLJSA-N 1 3 355.526 2.540 20 0 FFADHO OC1CC[NH+](CCCN[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494900087 516003058 /nfs/dbraw/zinc/00/30/58/516003058.db2.gz HAPMSRAZCMQMSI-UZLBHIALSA-N 1 3 350.478 2.730 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1)[C@H]1CCC[NH2+]1 ZINC000469863271 516003763 /nfs/dbraw/zinc/00/37/63/516003763.db2.gz OXGOFGTXNNFDAE-KBXCAEBGSA-N 1 3 359.445 2.652 20 0 FFADHO CCCCOc1ccccc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469864340 516004118 /nfs/dbraw/zinc/00/41/18/516004118.db2.gz RRRVQQRZTMRKQT-AZUAARDMSA-N 1 3 373.541 2.946 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000474355644 516009164 /nfs/dbraw/zinc/00/91/64/516009164.db2.gz PTYYHOLMZYDYBY-NYLDSWQDSA-N 1 3 370.541 2.967 20 0 FFADHO CN1CCC[C@H](CNC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1cccs1 ZINC000479197327 516102158 /nfs/dbraw/zinc/10/21/58/516102158.db2.gz UIEAKFISYJCVGB-MLGOLLRUSA-N 1 3 364.540 2.519 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000483518630 516118365 /nfs/dbraw/zinc/11/83/65/516118365.db2.gz NBSFQVUQHHZHCK-NRFANRHFSA-N 1 3 372.557 2.866 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000457748268 516119515 /nfs/dbraw/zinc/11/95/15/516119515.db2.gz MFIUJXOABMPZAQ-IFMALSPDSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000457748268 516119524 /nfs/dbraw/zinc/11/95/24/516119524.db2.gz MFIUJXOABMPZAQ-IFMALSPDSA-N 1 3 370.541 2.951 20 0 FFADHO CCN(CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000460346814 516125198 /nfs/dbraw/zinc/12/51/98/516125198.db2.gz HZQPSZVFKXVEQL-VQTJNVASSA-N 1 3 370.541 2.634 20 0 FFADHO CCN(CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000460346814 516125202 /nfs/dbraw/zinc/12/52/02/516125202.db2.gz HZQPSZVFKXVEQL-VQTJNVASSA-N 1 3 370.541 2.634 20 0 FFADHO CCOc1cc2[nH+]ccc(NC[C@H](C)N3CCN(C)CC3)c2cc1OCC ZINC000488143539 516132461 /nfs/dbraw/zinc/13/24/61/516132461.db2.gz DJJGBZGMWCHHSI-INIZCTEOSA-N 1 3 372.513 2.502 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)N(C)C)cc1 ZINC000465427395 516149941 /nfs/dbraw/zinc/14/99/41/516149941.db2.gz CLTZQZQZXGSWGU-UXHICEINSA-N 1 3 360.546 2.977 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479329267 516153164 /nfs/dbraw/zinc/15/31/64/516153164.db2.gz GRGMLXRDFOSTTE-OAQYLSRUSA-N 1 3 367.541 2.867 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(Cl)c1 ZINC000465449193 516156802 /nfs/dbraw/zinc/15/68/02/516156802.db2.gz QUESKFPOANGJKA-SFHVURJKSA-N 1 3 366.937 2.898 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(Cl)c1 ZINC000465449193 516156810 /nfs/dbraw/zinc/15/68/10/516156810.db2.gz QUESKFPOANGJKA-SFHVURJKSA-N 1 3 366.937 2.898 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000457867268 516199048 /nfs/dbraw/zinc/19/90/48/516199048.db2.gz WUAQHHPTKMWZRD-UHFFFAOYSA-N 1 3 364.559 2.696 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1C ZINC000465592735 516206835 /nfs/dbraw/zinc/20/68/35/516206835.db2.gz GEZKKMPRRDQWLH-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000465733336 516242592 /nfs/dbraw/zinc/24/25/92/516242592.db2.gz WLSRZCXPQZTZTK-GUDVDZBRSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000465733336 516242597 /nfs/dbraw/zinc/24/25/97/516242597.db2.gz WLSRZCXPQZTZTK-GUDVDZBRSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457945539 516246125 /nfs/dbraw/zinc/24/61/25/516246125.db2.gz UUEPOXGKYNVLPA-SJORKVTESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457945539 516246135 /nfs/dbraw/zinc/24/61/35/516246135.db2.gz UUEPOXGKYNVLPA-SJORKVTESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488523927 516249432 /nfs/dbraw/zinc/24/94/32/516249432.db2.gz MSRTXLKTPPMIFW-AGHHOFFYSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488523927 516249440 /nfs/dbraw/zinc/24/94/40/516249440.db2.gz MSRTXLKTPPMIFW-AGHHOFFYSA-N 1 3 370.541 2.823 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000465817093 516264829 /nfs/dbraw/zinc/26/48/29/516264829.db2.gz SNAFYLKBSDCZKQ-RLLQIKCJSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000465817093 516264837 /nfs/dbraw/zinc/26/48/37/516264837.db2.gz SNAFYLKBSDCZKQ-RLLQIKCJSA-N 1 3 358.530 2.914 20 0 FFADHO CN(CCC(=O)Nc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483983861 516270576 /nfs/dbraw/zinc/27/05/76/516270576.db2.gz OPQQGYPFMWHZDG-LJQANCHMSA-N 1 3 352.482 2.864 20 0 FFADHO CN(CCC(=O)Nc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483983861 516270583 /nfs/dbraw/zinc/27/05/83/516270583.db2.gz OPQQGYPFMWHZDG-LJQANCHMSA-N 1 3 352.482 2.864 20 0 FFADHO CN(CCC(=O)Nc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000483983859 516270802 /nfs/dbraw/zinc/27/08/02/516270802.db2.gz OPQQGYPFMWHZDG-IBGZPJMESA-N 1 3 352.482 2.864 20 0 FFADHO CN(CCC(=O)Nc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483983859 516270805 /nfs/dbraw/zinc/27/08/05/516270805.db2.gz OPQQGYPFMWHZDG-IBGZPJMESA-N 1 3 352.482 2.864 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000512427396 516275606 /nfs/dbraw/zinc/27/56/06/516275606.db2.gz SSGBWWYVVGONGJ-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000512427396 516275613 /nfs/dbraw/zinc/27/56/13/516275613.db2.gz SSGBWWYVVGONGJ-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1c(C)cccc1C ZINC000460914737 516282531 /nfs/dbraw/zinc/28/25/31/516282531.db2.gz QYWXAXHHBOYJFW-IBGZPJMESA-N 1 3 360.546 2.590 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1c(C)cccc1C ZINC000460914737 516282534 /nfs/dbraw/zinc/28/25/34/516282534.db2.gz QYWXAXHHBOYJFW-IBGZPJMESA-N 1 3 360.546 2.590 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000488681294 516286814 /nfs/dbraw/zinc/28/68/14/516286814.db2.gz UGGNOJPOFORZOB-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@H]1C[C@H](C[NH+]2CCN(CCN(C)Cc3ccccc3)CC2)CCO1 ZINC000507817264 516307439 /nfs/dbraw/zinc/30/74/39/516307439.db2.gz XMWCAVZXTJVUKZ-YADHBBJMSA-N 1 3 359.558 2.941 20 0 FFADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512650420 516318428 /nfs/dbraw/zinc/31/84/28/516318428.db2.gz ZXMSONFAVSRKAZ-CRSSMBPESA-N 1 3 355.526 2.791 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497491105 516323878 /nfs/dbraw/zinc/32/38/78/516323878.db2.gz QDPIPHJUBVIASD-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497491105 516323879 /nfs/dbraw/zinc/32/38/79/516323879.db2.gz QDPIPHJUBVIASD-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000497620778 516328177 /nfs/dbraw/zinc/32/81/77/516328177.db2.gz HXKZPRZUBZXGNF-XLIONFOSSA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000497620778 516328178 /nfs/dbraw/zinc/32/81/78/516328178.db2.gz HXKZPRZUBZXGNF-XLIONFOSSA-N 1 3 374.529 2.612 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522879395 516338959 /nfs/dbraw/zinc/33/89/59/516338959.db2.gz BAUNHZTZBLTKOT-QUCCMNQESA-N 1 3 360.546 2.920 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1C ZINC000540083213 516435541 /nfs/dbraw/zinc/43/55/41/516435541.db2.gz ZXDZCYKVSYXCLP-FXAWDEMLSA-N 1 3 373.545 2.812 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1C ZINC000540083213 516435547 /nfs/dbraw/zinc/43/55/47/516435547.db2.gz ZXDZCYKVSYXCLP-FXAWDEMLSA-N 1 3 373.545 2.812 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)NC[C@H]3NCCc4ccccc43)ccc21 ZINC000561194635 516442135 /nfs/dbraw/zinc/44/21/35/516442135.db2.gz ZNMWDYKKTNZDKC-HXUWFJFHSA-N 1 3 362.477 2.607 20 0 FFADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000517875774 516476853 /nfs/dbraw/zinc/47/68/53/516476853.db2.gz BFUNFPNBHCVATL-MRXNPFEDSA-N 1 3 360.420 2.719 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000523533783 516499404 /nfs/dbraw/zinc/49/94/04/516499404.db2.gz NAELJLSSAVXDEV-QUCCMNQESA-N 1 3 360.546 2.881 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000523533783 516499410 /nfs/dbraw/zinc/49/94/10/516499410.db2.gz NAELJLSSAVXDEV-QUCCMNQESA-N 1 3 360.546 2.881 20 0 FFADHO C[C@@H]1CC[C@@H](NCc2ccccc2OCC[NH+](C)C)[C@@H](n2cncn2)C1 ZINC000551030404 516531565 /nfs/dbraw/zinc/53/15/65/516531565.db2.gz NXPYRIJASKYOEQ-QRQLOZEOSA-N 1 3 357.502 2.738 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513517290 516657524 /nfs/dbraw/zinc/65/75/24/516657524.db2.gz HJQHRWSRFJWAQA-QFIPXVFZSA-N 1 3 367.541 2.768 20 0 FFADHO CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CN2CCC1CC2 ZINC000518434874 516658098 /nfs/dbraw/zinc/65/80/98/516658098.db2.gz TXROAMWMWLKHQT-AZUAARDMSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@@H]1CN2CCC1CC2 ZINC000518434874 516658107 /nfs/dbraw/zinc/65/81/07/516658107.db2.gz TXROAMWMWLKHQT-AZUAARDMSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CN2CCC1CC2 ZINC000518434874 516658116 /nfs/dbraw/zinc/65/81/16/516658116.db2.gz TXROAMWMWLKHQT-AZUAARDMSA-N 1 3 359.489 2.590 20 0 FFADHO CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@H]1n1cccn1 ZINC000551320584 516658908 /nfs/dbraw/zinc/65/89/08/516658908.db2.gz SSBKJTQHONWFFG-UMSONDCASA-N 1 3 372.513 2.893 20 0 FFADHO Cc1cc(N[C@H](C)CN2CCN(c3ccccn3)CC2)c2ccccc2[nH+]1 ZINC000524231536 516674561 /nfs/dbraw/zinc/67/45/61/516674561.db2.gz OVELNELMOBBUGH-GOSISDBHSA-N 1 3 361.493 2.983 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000518499084 516683573 /nfs/dbraw/zinc/68/35/73/516683573.db2.gz HEGVXUSDDGJXCR-SLFFLAALSA-N 1 3 358.530 2.841 20 0 FFADHO O=C(NCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000513714187 516729372 /nfs/dbraw/zinc/72/93/72/516729372.db2.gz ZWIUVDGQBQAFDR-PWRODBHTSA-N 1 3 355.526 2.793 20 0 FFADHO O=C(NCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000513714187 516729381 /nfs/dbraw/zinc/72/93/81/516729381.db2.gz ZWIUVDGQBQAFDR-PWRODBHTSA-N 1 3 355.526 2.793 20 0 FFADHO O=C(NCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000513714187 516729389 /nfs/dbraw/zinc/72/93/89/516729389.db2.gz ZWIUVDGQBQAFDR-PWRODBHTSA-N 1 3 355.526 2.793 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000518712378 516749182 /nfs/dbraw/zinc/74/91/82/516749182.db2.gz QGEAUFKVPLSLQP-MSOLQXFVSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000518712378 516749191 /nfs/dbraw/zinc/74/91/91/516749191.db2.gz QGEAUFKVPLSLQP-MSOLQXFVSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@]1(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000518735633 516757424 /nfs/dbraw/zinc/75/74/24/516757424.db2.gz PQIGBVLAHFXWCN-GPQLQYNLSA-N 1 3 370.541 2.810 20 0 FFADHO C[N@H+](CCNC(=O)NCC1(N2CCSCC2)CCCC1)C1CCCC1 ZINC000524667521 516783106 /nfs/dbraw/zinc/78/31/06/516783106.db2.gz IFXXRDLKVAFNTA-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO C[N@@H+](CCNC(=O)NCC1(N2CCSCC2)CCCC1)C1CCCC1 ZINC000524667521 516783114 /nfs/dbraw/zinc/78/31/14/516783114.db2.gz IFXXRDLKVAFNTA-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCN2C)cc1 ZINC000518879523 516804325 /nfs/dbraw/zinc/80/43/25/516804325.db2.gz VWVSVJHECGBLFG-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCN2C)cc1 ZINC000518879523 516804337 /nfs/dbraw/zinc/80/43/37/516804337.db2.gz VWVSVJHECGBLFG-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532200059 516854307 /nfs/dbraw/zinc/85/43/07/516854307.db2.gz CAZXDTHMJZODBG-HNNXBMFYSA-N 1 3 361.511 2.971 20 0 FFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N1CCN(c2ccccc2)CC1 ZINC000514089052 516856635 /nfs/dbraw/zinc/85/66/35/516856635.db2.gz NQDMFUPAEVEAOB-ZHHKINOHSA-N 1 3 356.558 2.660 20 0 FFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)N1CCN(c2ccccc2)CC1 ZINC000514089052 516856640 /nfs/dbraw/zinc/85/66/40/516856640.db2.gz NQDMFUPAEVEAOB-ZHHKINOHSA-N 1 3 356.558 2.660 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000519151283 516903241 /nfs/dbraw/zinc/90/32/41/516903241.db2.gz OQFJKVGIBBTION-WFXMLNOXSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000525103116 516918500 /nfs/dbraw/zinc/91/85/00/516918500.db2.gz NRPVRKOOZPJQAK-LQWHRVPQSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000525103116 516918509 /nfs/dbraw/zinc/91/85/09/516918509.db2.gz NRPVRKOOZPJQAK-LQWHRVPQSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCCN1CCCC1 ZINC000541206348 516929283 /nfs/dbraw/zinc/92/92/83/516929283.db2.gz SAAGSSJPWZGREL-INIZCTEOSA-N 1 3 372.513 2.828 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[NH+]1CCCC1 ZINC000541206348 516929290 /nfs/dbraw/zinc/92/92/90/516929290.db2.gz SAAGSSJPWZGREL-INIZCTEOSA-N 1 3 372.513 2.828 20 0 FFADHO Cc1ccc(C[NH2+]CCCCN2CCN(C)CC2)c(-c2cnn(C)c2)c1 ZINC000558777225 516939877 /nfs/dbraw/zinc/93/98/77/516939877.db2.gz DJLXRVNDQBTCIB-UHFFFAOYSA-N 1 3 355.530 2.513 20 0 FFADHO C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000519303512 516953604 /nfs/dbraw/zinc/95/36/04/516953604.db2.gz QMJMNXCHVPTEHG-NLWGTHIKSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1nccc2ccccc21 ZINC000514667430 516993712 /nfs/dbraw/zinc/99/37/12/516993712.db2.gz KPVJHDKGGITULG-IQVOZAENSA-N 1 3 352.482 2.532 20 0 FFADHO CN1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000555612013 517012871 /nfs/dbraw/zinc/01/28/71/517012871.db2.gz GODHFESKXBGBFL-FQEVSTJZSA-N 1 3 357.542 2.599 20 0 FFADHO O=C1CCCN1CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000532528832 517019714 /nfs/dbraw/zinc/01/97/14/517019714.db2.gz XOHOAVAIWGWRKB-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO O=C1CCCN1CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000532528832 517019721 /nfs/dbraw/zinc/01/97/21/517019721.db2.gz XOHOAVAIWGWRKB-LEWJYISDSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCCC[C@H]1C ZINC000555624739 517024469 /nfs/dbraw/zinc/02/44/69/517024469.db2.gz SMGHOAJYYOZWMF-ZHALLVOQSA-N 1 3 350.551 2.623 20 0 FFADHO Cc1nn(-c2ccncc2)cc1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000541386819 517025185 /nfs/dbraw/zinc/02/51/85/517025185.db2.gz LRDGITYVYIZCGL-UHFFFAOYSA-N 1 3 369.513 2.700 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000541386819 517025190 /nfs/dbraw/zinc/02/51/90/517025190.db2.gz LRDGITYVYIZCGL-UHFFFAOYSA-N 1 3 369.513 2.700 20 0 FFADHO COc1ccc(CC[C@H](C)[NH2+]CC(=O)NCCN2CCCCCC2)cc1 ZINC000552064787 517058684 /nfs/dbraw/zinc/05/86/84/517058684.db2.gz OXPULFWYUDRVAM-SFHVURJKSA-N 1 3 361.530 2.598 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@@H](C)CN1 ZINC000529387877 517118065 /nfs/dbraw/zinc/11/80/65/517118065.db2.gz QIYBWGRXOLOAJY-WQGACYEGSA-N 1 3 373.328 2.988 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000529387877 517118069 /nfs/dbraw/zinc/11/80/69/517118069.db2.gz QIYBWGRXOLOAJY-WQGACYEGSA-N 1 3 373.328 2.988 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000532836514 517162593 /nfs/dbraw/zinc/16/25/93/517162593.db2.gz BTKFKTSTFUKVMU-RBUKOAKNSA-N 1 3 358.530 2.823 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000532836514 517162605 /nfs/dbraw/zinc/16/26/05/517162605.db2.gz BTKFKTSTFUKVMU-RBUKOAKNSA-N 1 3 358.530 2.823 20 0 FFADHO c1ccc(CN2C[C@H](C[NH2+]C[C@H]3CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559327208 517185804 /nfs/dbraw/zinc/18/58/04/517185804.db2.gz WTAUOAIWCALZNR-RTWAWAEBSA-N 1 3 358.526 2.931 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000515058155 517193529 /nfs/dbraw/zinc/19/35/29/517193529.db2.gz KWTGPJTZHIXVKT-DYESRHJHSA-N 1 3 366.509 2.998 20 0 FFADHO COc1ccc(CN2CC[C@@H]2C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000529644867 517261627 /nfs/dbraw/zinc/26/16/27/517261627.db2.gz QFRVTHCQMIWXFM-OAQYLSRUSA-N 1 3 366.509 2.923 20 0 FFADHO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000515234309 517265512 /nfs/dbraw/zinc/26/55/12/517265512.db2.gz FQNCOFGAWDSDAA-QHCPKHFHSA-N 1 3 368.521 2.727 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000526001059 517285718 /nfs/dbraw/zinc/28/57/18/517285718.db2.gz YWBIAYOURAGXBL-IEBWSBKVSA-N 1 3 364.509 2.597 20 0 FFADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000526041504 517310012 /nfs/dbraw/zinc/31/00/12/517310012.db2.gz XOYLBGUJTQQINT-FQEVSTJZSA-N 1 3 354.498 2.544 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529719550 517311920 /nfs/dbraw/zinc/31/19/20/517311920.db2.gz NLZSLOUGZLXKCK-IBGZPJMESA-N 1 3 363.546 2.545 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529719550 517311930 /nfs/dbraw/zinc/31/19/30/517311930.db2.gz NLZSLOUGZLXKCK-IBGZPJMESA-N 1 3 363.546 2.545 20 0 FFADHO Cc1ccc(C[NH2+]CCCCN2CCN(C)CC2)c(-c2ccnn2C)c1 ZINC000548976625 517335504 /nfs/dbraw/zinc/33/55/04/517335504.db2.gz AFYFOPLMUDGFSQ-UHFFFAOYSA-N 1 3 355.530 2.513 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000533293085 517387818 /nfs/dbraw/zinc/38/78/18/517387818.db2.gz LOMCTPJMYUQIIF-RTBURBONSA-N 1 3 365.562 2.645 20 0 FFADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140982 517402938 /nfs/dbraw/zinc/40/29/38/517402938.db2.gz VGTPUANBFDBQPO-CVEARBPZSA-N 1 3 372.513 2.684 20 0 FFADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140982 517402949 /nfs/dbraw/zinc/40/29/49/517402949.db2.gz VGTPUANBFDBQPO-CVEARBPZSA-N 1 3 372.513 2.684 20 0 FFADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000542140982 517402959 /nfs/dbraw/zinc/40/29/59/517402959.db2.gz VGTPUANBFDBQPO-CVEARBPZSA-N 1 3 372.513 2.684 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000562795238 517408298 /nfs/dbraw/zinc/40/82/98/517408298.db2.gz GWOZNYUOYMIPAX-QBPKDAKJSA-N 1 3 362.543 2.572 20 0 FFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000537953379 517416123 /nfs/dbraw/zinc/41/61/23/517416123.db2.gz QSRMTMFUPMLCHF-APWZRJJASA-N 1 3 356.576 2.834 20 0 FFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000537953379 517416134 /nfs/dbraw/zinc/41/61/34/517416134.db2.gz QSRMTMFUPMLCHF-APWZRJJASA-N 1 3 356.576 2.834 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000520734984 517495428 /nfs/dbraw/zinc/49/54/28/517495428.db2.gz YLOATSOWZASZIR-HMXCVIKNSA-N 1 3 373.541 2.673 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000520734984 517495432 /nfs/dbraw/zinc/49/54/32/517495432.db2.gz YLOATSOWZASZIR-HMXCVIKNSA-N 1 3 373.541 2.673 20 0 FFADHO CCN(C)CCNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000533593218 517541357 /nfs/dbraw/zinc/54/13/57/517541357.db2.gz YITYTPPKKGYLPT-UHFFFAOYSA-N 1 3 360.546 2.930 20 0 FFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000527223198 517572681 /nfs/dbraw/zinc/57/26/81/517572681.db2.gz SAXKEFUOLXUEEI-ROUUACIJSA-N 1 3 363.546 2.813 20 0 FFADHO CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530224235 517637343 /nfs/dbraw/zinc/63/73/43/517637343.db2.gz LEIAKQKLDFAROQ-CNNODRBYSA-N 1 3 363.461 2.659 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000527464802 517693330 /nfs/dbraw/zinc/69/33/30/517693330.db2.gz PWOSUPFQMJAJPQ-HKUYNNGSSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCCNC1 ZINC000516451049 517696237 /nfs/dbraw/zinc/69/62/37/517696237.db2.gz SNYWTWDGCMZETH-JLHGSKIFSA-N 1 3 369.509 2.963 20 0 FFADHO CN(CCC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1cc[nH+]cc1 ZINC000542787338 517741108 /nfs/dbraw/zinc/74/11/08/517741108.db2.gz NFZHKUWDWJXJST-KRWDZBQOSA-N 1 3 358.511 2.923 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCS[C@@H](C(C)C)C3)CC2)CC1 ZINC000553498037 517746758 /nfs/dbraw/zinc/74/67/58/517746758.db2.gz KKCBBMYFIOBZHZ-LJQANCHMSA-N 1 3 367.603 2.783 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000534139656 517758179 /nfs/dbraw/zinc/75/81/79/517758179.db2.gz ZZLYCYFCJBTOFV-SFTDATJTSA-N 1 3 373.541 2.679 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000534139656 517758191 /nfs/dbraw/zinc/75/81/91/517758191.db2.gz ZZLYCYFCJBTOFV-SFTDATJTSA-N 1 3 373.541 2.679 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000527659260 517827157 /nfs/dbraw/zinc/82/71/57/517827157.db2.gz PGROJMACOJQWJJ-HXUWFJFHSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000563330746 517827730 /nfs/dbraw/zinc/82/77/30/517827730.db2.gz GXMIPDJRMHDMAD-IBGZPJMESA-N 1 3 372.557 2.811 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000563330746 517827738 /nfs/dbraw/zinc/82/77/38/517827738.db2.gz GXMIPDJRMHDMAD-IBGZPJMESA-N 1 3 372.557 2.811 20 0 FFADHO C[C@H](CCc1c(F)cccc1F)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000521847355 517870630 /nfs/dbraw/zinc/87/06/30/517870630.db2.gz VKDOZOYAVIQAFN-MRXNPFEDSA-N 1 3 367.484 2.868 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000563424762 517897019 /nfs/dbraw/zinc/89/70/19/517897019.db2.gz NAXMJITUQTYMSB-NILFDRSVSA-N 1 3 359.283 2.599 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000539058793 517897604 /nfs/dbraw/zinc/89/76/04/517897604.db2.gz GXLCUDDAHDMQKS-YPAWHYETSA-N 1 3 366.509 2.728 20 0 FFADHO CCc1cnccc1[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000539143832 517933177 /nfs/dbraw/zinc/93/31/77/517933177.db2.gz UTUJOEYUPRLXPO-MRXNPFEDSA-N 1 3 373.545 2.563 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539161771 517938454 /nfs/dbraw/zinc/93/84/54/517938454.db2.gz QMAGPJVCQTWFJA-IBGZPJMESA-N 1 3 360.502 2.846 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000553886142 517951215 /nfs/dbraw/zinc/95/12/15/517951215.db2.gz OXKUCERQQUQLKX-OALUTQOASA-N 1 3 354.922 2.676 20 0 FFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000517028166 517985531 /nfs/dbraw/zinc/98/55/31/517985531.db2.gz OOBXBCNNRPKUKQ-OAQYLSRUSA-N 1 3 366.509 2.671 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522195915 518028670 /nfs/dbraw/zinc/02/86/70/518028670.db2.gz VHWIGVQYXVZAPP-HXUWFJFHSA-N 1 3 358.530 2.532 20 0 FFADHO CSc1ccc(OC[C@H](O)CNCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000560870959 518068365 /nfs/dbraw/zinc/06/83/65/518068365.db2.gz XRMKRKHBMVXPFL-GOSISDBHSA-N 1 3 360.523 3.000 20 0 FFADHO C[C@]1(CNC(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]C1 ZINC000563692397 518072131 /nfs/dbraw/zinc/07/21/31/518072131.db2.gz NRELZSHBEPSTFN-NRFANRHFSA-N 1 3 358.530 2.861 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000517269731 518100339 /nfs/dbraw/zinc/10/03/39/518100339.db2.gz XVPQAPPCECEKDZ-YLJYHZDGSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528148095 518119676 /nfs/dbraw/zinc/11/96/76/518119676.db2.gz GKOUCXAQLNBABD-IEBWSBKVSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528148095 518119680 /nfs/dbraw/zinc/11/96/80/518119680.db2.gz GKOUCXAQLNBABD-IEBWSBKVSA-N 1 3 350.551 2.813 20 0 FFADHO CC1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000563810274 518134580 /nfs/dbraw/zinc/13/45/80/518134580.db2.gz LLRGAUAGJBKDKX-VXKWHMMOSA-N 1 3 371.569 2.866 20 0 FFADHO COc1cc(NC(=O)CCN[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)cc1Cl ZINC000572476431 518211005 /nfs/dbraw/zinc/21/10/05/518211005.db2.gz XVAIOZCUSSKEEM-OLZOCXBDSA-N 1 3 369.893 2.758 20 0 FFADHO COc1cc(NC(=O)CCN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)cc1Cl ZINC000572476431 518211010 /nfs/dbraw/zinc/21/10/10/518211010.db2.gz XVAIOZCUSSKEEM-OLZOCXBDSA-N 1 3 369.893 2.758 20 0 FFADHO CSC1(CNC(=O)NCCCC[NH+]2CCC(C)CC2)CCN(C)CC1 ZINC000584205531 518225517 /nfs/dbraw/zinc/22/55/17/518225517.db2.gz QWKMRTYODIIESZ-UHFFFAOYSA-N 1 3 370.607 2.625 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)C1 ZINC000584219819 518234497 /nfs/dbraw/zinc/23/44/97/518234497.db2.gz KDOFYXWKZYQGSD-NHCUHLMSSA-N 1 3 354.498 2.650 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000569690846 518242778 /nfs/dbraw/zinc/24/27/78/518242778.db2.gz QKEYVTPOIMABPY-XLIONFOSSA-N 1 3 358.530 2.622 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000569690846 518242784 /nfs/dbraw/zinc/24/27/84/518242784.db2.gz QKEYVTPOIMABPY-XLIONFOSSA-N 1 3 358.530 2.622 20 0 FFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000564079002 518297034 /nfs/dbraw/zinc/29/70/34/518297034.db2.gz YVTNBTGRUAWFIH-OAQYLSRUSA-N 1 3 369.509 2.944 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c(OC)c1 ZINC000578639938 518307385 /nfs/dbraw/zinc/30/73/85/518307385.db2.gz KHSWAYOULGNSLI-JFZXIXNHSA-N 1 3 360.498 2.542 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000578639938 518307388 /nfs/dbraw/zinc/30/73/88/518307388.db2.gz KHSWAYOULGNSLI-JFZXIXNHSA-N 1 3 360.498 2.542 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000578639938 518307396 /nfs/dbraw/zinc/30/73/96/518307396.db2.gz KHSWAYOULGNSLI-JFZXIXNHSA-N 1 3 360.498 2.542 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000575868021 518318861 /nfs/dbraw/zinc/31/88/61/518318861.db2.gz MFCQZJAVYNBNTI-GJZGRUSLSA-N 1 3 350.532 2.525 20 0 FFADHO NC[C@@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000581656869 518393426 /nfs/dbraw/zinc/39/34/26/518393426.db2.gz AHHCYCDPQHNCDH-LEWJYISDSA-N 1 3 366.509 2.871 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CC[N@@H+](CC(C)C)C3)c2cc1C ZINC000584585499 518410433 /nfs/dbraw/zinc/41/04/33/518410433.db2.gz HXGQATODACCQHN-RTBURBONSA-N 1 3 358.530 2.582 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CC[N@H+](CC(C)C)C3)c2cc1C ZINC000584585499 518410434 /nfs/dbraw/zinc/41/04/34/518410434.db2.gz HXGQATODACCQHN-RTBURBONSA-N 1 3 358.530 2.582 20 0 FFADHO CCCCOc1cccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000567235431 518422570 /nfs/dbraw/zinc/42/25/70/518422570.db2.gz JZZJPBGRTRCZSF-PMACEKPBSA-N 1 3 373.541 2.803 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CC1 ZINC000581722028 518424985 /nfs/dbraw/zinc/42/49/85/518424985.db2.gz BXJNSDURAWOUCJ-INIZCTEOSA-N 1 3 360.395 2.921 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C1CC1 ZINC000581722028 518424996 /nfs/dbraw/zinc/42/49/96/518424996.db2.gz BXJNSDURAWOUCJ-INIZCTEOSA-N 1 3 360.395 2.921 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(N(C)C)c3)CC2)CC1 ZINC000570150309 518465349 /nfs/dbraw/zinc/46/53/49/518465349.db2.gz XFVGTEGKKXZIBQ-UHFFFAOYSA-N 1 3 372.557 2.565 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000573136443 518524061 /nfs/dbraw/zinc/52/40/61/518524061.db2.gz ZDZAEAACSQQOID-LJQANCHMSA-N 1 3 355.526 2.843 20 0 FFADHO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000564640941 518539061 /nfs/dbraw/zinc/53/90/61/518539061.db2.gz PKXLQXFJQAEQKC-QGZVFWFLSA-N 1 3 362.543 2.540 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000582111919 518593850 /nfs/dbraw/zinc/59/38/50/518593850.db2.gz QETDGNHBJMCEOU-GCJKJVERSA-N 1 3 370.541 2.997 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)CC1 ZINC000573346603 518623049 /nfs/dbraw/zinc/62/30/49/518623049.db2.gz SBUZOSWYEDSMCV-RRENTHDGSA-N 1 3 350.551 2.656 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000570498938 518636420 /nfs/dbraw/zinc/63/64/20/518636420.db2.gz KDVLLHHKZTWBKR-SUMWQHHRSA-N 1 3 352.910 2.725 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000570498938 518636425 /nfs/dbraw/zinc/63/64/25/518636425.db2.gz KDVLLHHKZTWBKR-SUMWQHHRSA-N 1 3 352.910 2.725 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000564848061 518650379 /nfs/dbraw/zinc/65/03/79/518650379.db2.gz CKBNMVWIRYYJSN-ARFHVFGLSA-N 1 3 371.319 2.651 20 0 FFADHO CCOc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000579463097 518693143 /nfs/dbraw/zinc/69/31/43/518693143.db2.gz CDGDTJWNMRFFDP-SFHVURJKSA-N 1 3 350.503 2.535 20 0 FFADHO CN(CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC000573502740 518697573 /nfs/dbraw/zinc/69/75/73/518697573.db2.gz FXBBQESUFJMAMC-VQTJNVASSA-N 1 3 371.912 2.891 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000579537980 518726758 /nfs/dbraw/zinc/72/67/58/518726758.db2.gz PPUDZWQTAASQHX-MRXNPFEDSA-N 1 3 366.575 2.988 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000579537980 518726763 /nfs/dbraw/zinc/72/67/63/518726763.db2.gz PPUDZWQTAASQHX-MRXNPFEDSA-N 1 3 366.575 2.988 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CCNC3)[C@H](C)C1 ZINC000576728325 518733964 /nfs/dbraw/zinc/73/39/64/518733964.db2.gz UHKGPXYHXTXJGJ-VQIMIIECSA-N 1 3 374.529 2.591 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CCNC3)[C@H](C)C1 ZINC000576728325 518733972 /nfs/dbraw/zinc/73/39/72/518733972.db2.gz UHKGPXYHXTXJGJ-VQIMIIECSA-N 1 3 374.529 2.591 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000576729873 518735657 /nfs/dbraw/zinc/73/56/57/518735657.db2.gz DTOQOYBPXIPJSI-UYAOXDASSA-N 1 3 358.530 2.758 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000576749120 518743271 /nfs/dbraw/zinc/74/32/71/518743271.db2.gz MYSSMGSXRCRNCJ-FUHWJXTLSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000576749120 518743281 /nfs/dbraw/zinc/74/32/81/518743281.db2.gz MYSSMGSXRCRNCJ-FUHWJXTLSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000576749120 518743289 /nfs/dbraw/zinc/74/32/89/518743289.db2.gz MYSSMGSXRCRNCJ-FUHWJXTLSA-N 1 3 354.922 2.928 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000576835892 518788596 /nfs/dbraw/zinc/78/85/96/518788596.db2.gz CHIHDKJTVAEGEG-VQTJNVASSA-N 1 3 355.526 2.699 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000576835892 518788602 /nfs/dbraw/zinc/78/86/02/518788602.db2.gz CHIHDKJTVAEGEG-VQTJNVASSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000579690187 518804035 /nfs/dbraw/zinc/80/40/35/518804035.db2.gz DKPTZNXRGUVLEK-SCTDSRPQSA-N 1 3 358.530 2.899 20 0 FFADHO [NH3+]CCc1ccccc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000582553611 518810897 /nfs/dbraw/zinc/81/08/97/518810897.db2.gz NAMSZKPKPHEXCK-UHFFFAOYSA-N 1 3 351.494 2.625 20 0 FFADHO [NH3+]CCC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000568057203 518852948 /nfs/dbraw/zinc/85/29/48/518852948.db2.gz WKFBHCSMGOILIE-SFHVURJKSA-N 1 3 351.441 2.517 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)c4ccccc43)CC2)CC1 ZINC000573860187 518869658 /nfs/dbraw/zinc/86/96/58/518869658.db2.gz FEVDUKBOSBHTFV-UHFFFAOYSA-N 1 3 370.541 2.666 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000577011757 518872518 /nfs/dbraw/zinc/87/25/18/518872518.db2.gz DEQWFFRXCJHSGE-RANZSIQMSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000577011757 518872525 /nfs/dbraw/zinc/87/25/25/518872525.db2.gz DEQWFFRXCJHSGE-RANZSIQMSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000577011757 518872530 /nfs/dbraw/zinc/87/25/30/518872530.db2.gz DEQWFFRXCJHSGE-RANZSIQMSA-N 1 3 372.431 2.908 20 0 FFADHO C[C@H](CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000579845213 518883916 /nfs/dbraw/zinc/88/39/16/518883916.db2.gz XTSNUAFICRVINP-NQIIRXRSSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000582724949 518893141 /nfs/dbraw/zinc/89/31/41/518893141.db2.gz JVFCHOWUTIUQAE-QMMLZNLJSA-N 1 3 357.542 2.963 20 0 FFADHO CSc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000571039934 518897669 /nfs/dbraw/zinc/89/76/69/518897669.db2.gz NZIJLEFFZCMMBQ-IAGOWNOFSA-N 1 3 352.544 2.858 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000582805476 518931288 /nfs/dbraw/zinc/93/12/88/518931288.db2.gz PFPKYAKNGJQXFJ-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CCN(CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000574017513 518947129 /nfs/dbraw/zinc/94/71/29/518947129.db2.gz IYVASZDSCKRVKJ-WIYYLYMNSA-N 1 3 363.521 2.911 20 0 FFADHO N[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)c2ccccc21 ZINC000571194294 518971525 /nfs/dbraw/zinc/97/15/25/518971525.db2.gz XFNDZRLGQRIVPL-BWAGFHJFSA-N 1 3 351.494 2.664 20 0 FFADHO CC(C)(C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000582903272 518977997 /nfs/dbraw/zinc/97/79/97/518977997.db2.gz YXDDDWLFMYSBEJ-HXUWFJFHSA-N 1 3 373.541 2.816 20 0 FFADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000580088658 519002822 /nfs/dbraw/zinc/00/28/22/519002822.db2.gz RVSHZWRRDBICRZ-VURPSTOHSA-N 1 3 370.541 2.717 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000568373192 519007706 /nfs/dbraw/zinc/00/77/06/519007706.db2.gz YLMJTPRSFKRANM-ICSRJNTNSA-N 1 3 358.530 2.810 20 0 FFADHO Cc1cccnc1[C@H]1CCC[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000568383214 519013925 /nfs/dbraw/zinc/01/39/25/519013925.db2.gz QQFNDQJTODKSFU-DLBZAZTESA-N 1 3 354.502 2.791 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000571275520 519014911 /nfs/dbraw/zinc/01/49/11/519014911.db2.gz FSCSTSFLNLMZFV-IXDOHACOSA-N 1 3 355.482 2.573 20 0 FFADHO O=C(CC[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)Nc1ccccc1 ZINC000583019962 519038581 /nfs/dbraw/zinc/03/85/81/519038581.db2.gz LCFVREZDUBWHDZ-UHFFFAOYSA-N 1 3 367.493 2.762 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000565647617 519060945 /nfs/dbraw/zinc/06/09/45/519060945.db2.gz YXJDVLHQQCVKKH-ZIVNCQHPSA-N 1 3 358.530 2.674 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000589766486 519078804 /nfs/dbraw/zinc/07/88/04/519078804.db2.gz PCIKPJRHUDZDOS-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000589766486 519078809 /nfs/dbraw/zinc/07/88/09/519078809.db2.gz PCIKPJRHUDZDOS-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C[C@H]21 ZINC000571417196 519088096 /nfs/dbraw/zinc/08/80/96/519088096.db2.gz VLBWUKKYKSUAGK-WTGUMLROSA-N 1 3 356.514 2.592 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000589951120 519110600 /nfs/dbraw/zinc/11/06/00/519110600.db2.gz ODIOAERCRFNXTK-SFTDATJTSA-N 1 3 370.541 2.771 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000568608766 519126051 /nfs/dbraw/zinc/12/60/51/519126051.db2.gz FCNJANWXADQSIR-OXJNMPFZSA-N 1 3 354.498 2.871 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000568608766 519126059 /nfs/dbraw/zinc/12/60/59/519126059.db2.gz FCNJANWXADQSIR-OXJNMPFZSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565777528 519128623 /nfs/dbraw/zinc/12/86/23/519128623.db2.gz LDFQOQDXNQKNSK-IXDOHACOSA-N 1 3 352.482 2.883 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000568621450 519133722 /nfs/dbraw/zinc/13/37/22/519133722.db2.gz OIMNLSAEDJCXIV-GOEBONIOSA-N 1 3 371.319 2.510 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc2c1OCCCO2 ZINC000580363637 519135359 /nfs/dbraw/zinc/13/53/59/519135359.db2.gz HDYGUFXOGBCKSP-LJQANCHMSA-N 1 3 361.530 2.696 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc2c1OCCCO2 ZINC000580363637 519135364 /nfs/dbraw/zinc/13/53/64/519135364.db2.gz HDYGUFXOGBCKSP-LJQANCHMSA-N 1 3 361.530 2.696 20 0 FFADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1=O ZINC000574400839 519137611 /nfs/dbraw/zinc/13/76/11/519137611.db2.gz ZAAYNWZWOFTEGM-HAGHYFMRSA-N 1 3 355.526 2.886 20 0 FFADHO Cc1cccc(OC[C@@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000565887654 519181838 /nfs/dbraw/zinc/18/18/38/519181838.db2.gz ZEYVOGZQKDMOHJ-FQEVSTJZSA-N 1 3 355.482 2.636 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000583312210 519182416 /nfs/dbraw/zinc/18/24/16/519182416.db2.gz PEIOJEYTMYUBDK-HSALFYBXSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000583311574 519183287 /nfs/dbraw/zinc/18/32/87/519183287.db2.gz QKWUDGBZIJMMCN-HXUWFJFHSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@@]1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CCCCN1 ZINC000583379163 519217860 /nfs/dbraw/zinc/21/78/60/519217860.db2.gz JUGJGBQTOMXKFB-NRFANRHFSA-N 1 3 372.513 2.972 20 0 FFADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Cc1ccc2ccccc2c1 ZINC000577722078 519222451 /nfs/dbraw/zinc/22/24/51/519222451.db2.gz FXWXTMKJJBTGIO-YTFSRNRJSA-N 1 3 368.521 2.711 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)[C@@H]1CCCNC1 ZINC000577839650 519282668 /nfs/dbraw/zinc/28/26/68/519282668.db2.gz CQGIUGGXZWJROA-MLHJIOFPSA-N 1 3 369.509 2.962 20 0 FFADHO O[C@H](CCc1ccccc1)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566091164 519292525 /nfs/dbraw/zinc/29/25/25/519292525.db2.gz UXGIHVOOBFJUEO-UZKOGDIHSA-N 1 3 352.478 2.826 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000580668162 519293082 /nfs/dbraw/zinc/29/30/82/519293082.db2.gz XYWHWIJLQKIGAP-XGHQBKJUSA-N 1 3 370.541 2.795 20 0 FFADHO [NH3+][C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000566148346 519332898 /nfs/dbraw/zinc/33/28/98/519332898.db2.gz CHXNHFFYZMBUER-HXUWFJFHSA-N 1 3 351.494 2.727 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000583607818 519336433 /nfs/dbraw/zinc/33/64/33/519336433.db2.gz YKECKICYSISGBA-FPOVZHCZSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000583607818 519336438 /nfs/dbraw/zinc/33/64/38/519336438.db2.gz YKECKICYSISGBA-FPOVZHCZSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571921498 519347439 /nfs/dbraw/zinc/34/74/39/519347439.db2.gz WHQPHGWDZZYIMC-QLFBSQMISA-N 1 3 367.440 2.937 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571921499 519348342 /nfs/dbraw/zinc/34/83/42/519348342.db2.gz WHQPHGWDZZYIMC-RBSFLKMASA-N 1 3 367.440 2.937 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566190723 519360608 /nfs/dbraw/zinc/36/06/08/519360608.db2.gz IHIDHBAIIIXPHH-FOIQADDNSA-N 1 3 370.472 2.605 20 0 FFADHO Cn1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c(-c2ccc(F)cc2)n1 ZINC000580814319 519371388 /nfs/dbraw/zinc/37/13/88/519371388.db2.gz MTVYCACPYXYMMC-UXHICEINSA-N 1 3 372.488 2.694 20 0 FFADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)COCc1ccccc1Cl ZINC000569095634 519376378 /nfs/dbraw/zinc/37/63/78/519376378.db2.gz GVOYDJCXJJLHBR-DAWZGUTISA-N 1 3 352.906 2.824 20 0 FFADHO CN(Cc1c(F)cccc1Cl)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245385 519390677 /nfs/dbraw/zinc/39/06/77/519390677.db2.gz OUKHCWDXHREDSB-HUUCEWRRSA-N 1 3 367.896 2.759 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127183 519432583 /nfs/dbraw/zinc/43/25/83/519432583.db2.gz GSQGKCYPHOKOOU-XJKSGUPXSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127183 519432584 /nfs/dbraw/zinc/43/25/84/519432584.db2.gz GSQGKCYPHOKOOU-XJKSGUPXSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127183 519432587 /nfs/dbraw/zinc/43/25/87/519432587.db2.gz GSQGKCYPHOKOOU-XJKSGUPXSA-N 1 3 358.404 2.519 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000572132537 519461042 /nfs/dbraw/zinc/46/10/42/519461042.db2.gz HXWOWPAYWOACOH-FGZHOGPDSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000572132537 519461049 /nfs/dbraw/zinc/46/10/49/519461049.db2.gz HXWOWPAYWOACOH-FGZHOGPDSA-N 1 3 365.521 2.798 20 0 FFADHO C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCC[C@H]1C ZINC000583858147 519469891 /nfs/dbraw/zinc/46/98/91/519469891.db2.gz FFQWUGODJWSZFN-SOLBZPMBSA-N 1 3 353.576 2.583 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)c3ccccc3CC[NH3+])cc2)CC1 ZINC000575068446 519482568 /nfs/dbraw/zinc/48/25/68/519482568.db2.gz PNWIBKOEEPEOJZ-UHFFFAOYSA-N 1 3 366.509 2.578 20 0 FFADHO C[NH2+]CCCC(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000572240429 519514077 /nfs/dbraw/zinc/51/40/77/519514077.db2.gz ITAHCQHDOKEABL-SFHVURJKSA-N 1 3 355.486 2.577 20 0 FFADHO CC(C)(CNC(=O)NCC[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000578334026 519541570 /nfs/dbraw/zinc/54/15/70/519541570.db2.gz NTBKKKAXJTWTCU-QGZVFWFLSA-N 1 3 358.530 2.512 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC000569476617 519572310 /nfs/dbraw/zinc/57/23/10/519572310.db2.gz ZVSZAKHPAGBFFI-MJGOQNOKSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC000569476617 519572316 /nfs/dbraw/zinc/57/23/16/519572316.db2.gz ZVSZAKHPAGBFFI-MJGOQNOKSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2F)C1 ZINC000569476617 519572326 /nfs/dbraw/zinc/57/23/26/519572326.db2.gz ZVSZAKHPAGBFFI-MJGOQNOKSA-N 1 3 352.494 2.661 20 0 FFADHO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000584103842 519593127 /nfs/dbraw/zinc/59/31/27/519593127.db2.gz SBKNQLSEHAMJHV-IBGZPJMESA-N 1 3 366.509 2.517 20 0 FFADHO c1[nH]c2nccnc2c1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000584144581 519610550 /nfs/dbraw/zinc/61/05/50/519610550.db2.gz FSXLYSWYQAPGPI-UHFFFAOYSA-N 1 3 351.454 2.674 20 0 FFADHO COCCOCCN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000569582808 519620480 /nfs/dbraw/zinc/62/04/80/519620480.db2.gz AZSQQPQIHHLTEB-UHFFFAOYSA-N 1 3 354.494 2.998 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602994333 520012206 /nfs/dbraw/zinc/01/22/06/520012206.db2.gz HWNBFBRILYJQIE-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602994333 520012212 /nfs/dbraw/zinc/01/22/12/520012212.db2.gz HWNBFBRILYJQIE-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000608638775 520059265 /nfs/dbraw/zinc/05/92/65/520059265.db2.gz ANKGDSWSKPWRLN-SLFFLAALSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000608638775 520059273 /nfs/dbraw/zinc/05/92/73/520059273.db2.gz ANKGDSWSKPWRLN-SLFFLAALSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000608647479 520063057 /nfs/dbraw/zinc/06/30/57/520063057.db2.gz ACOMFFLMSQXCTA-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000608647479 520063065 /nfs/dbraw/zinc/06/30/65/520063065.db2.gz ACOMFFLMSQXCTA-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000594966370 520232471 /nfs/dbraw/zinc/23/24/71/520232471.db2.gz ODBFWRCGSWZXPI-LMMKCTJWSA-N 1 3 350.551 2.528 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612987790 520257164 /nfs/dbraw/zinc/25/71/64/520257164.db2.gz NSKNPVWUPQURHL-PMACEKPBSA-N 1 3 372.557 2.929 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600723928 520424274 /nfs/dbraw/zinc/42/42/74/520424274.db2.gz ZRZKBZSFMJVVGX-XPQZIERPSA-N 1 3 368.562 2.959 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600723928 520424281 /nfs/dbraw/zinc/42/42/81/520424281.db2.gz ZRZKBZSFMJVVGX-XPQZIERPSA-N 1 3 368.562 2.959 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNCC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600723928 520424284 /nfs/dbraw/zinc/42/42/84/520424284.db2.gz ZRZKBZSFMJVVGX-XPQZIERPSA-N 1 3 368.562 2.959 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000617503777 520537481 /nfs/dbraw/zinc/53/74/81/520537481.db2.gz YVMWIHJOYYNKOY-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000617503777 520537486 /nfs/dbraw/zinc/53/74/86/520537486.db2.gz YVMWIHJOYYNKOY-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccn(C)c1-c1ccccc1 ZINC000617502436 520539302 /nfs/dbraw/zinc/53/93/02/520539302.db2.gz PBNDQAPLAFMZDL-KRWDZBQOSA-N 1 3 356.514 2.694 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccn(C)c1-c1ccccc1 ZINC000617502436 520539307 /nfs/dbraw/zinc/53/93/07/520539307.db2.gz PBNDQAPLAFMZDL-KRWDZBQOSA-N 1 3 356.514 2.694 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000600980775 520570555 /nfs/dbraw/zinc/57/05/55/520570555.db2.gz KSLCMJYJHWVLKL-HXUWFJFHSA-N 1 3 372.557 2.578 20 0 FFADHO CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000601237161 520701706 /nfs/dbraw/zinc/70/17/06/520701706.db2.gz UXXJTIPISJWPEK-OAQYLSRUSA-N 1 3 370.541 2.572 20 0 FFADHO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000614333584 520914776 /nfs/dbraw/zinc/91/47/76/520914776.db2.gz DEVJPQYAUBDKSJ-FQEVSTJZSA-N 1 3 372.557 2.532 20 0 FFADHO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000614333584 520914781 /nfs/dbraw/zinc/91/47/81/520914781.db2.gz DEVJPQYAUBDKSJ-FQEVSTJZSA-N 1 3 372.557 2.532 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)CC1 ZINC000618350590 521015575 /nfs/dbraw/zinc/01/55/75/521015575.db2.gz CTVIQZFNBXMJTA-NRFANRHFSA-N 1 3 357.542 2.882 20 0 FFADHO CN1CCN(CCCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000611497684 521187543 /nfs/dbraw/zinc/18/75/43/521187543.db2.gz GSWJNXFXRGPPLV-UHFFFAOYSA-N 1 3 361.530 2.759 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)[NH2+]CC12CC(C1)CN2 ZINC000596651156 521190162 /nfs/dbraw/zinc/19/01/62/521190162.db2.gz AGRIUJYQBZUBER-XEBKBJJBSA-N 1 3 370.278 2.954 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1 ZINC000615260450 521335683 /nfs/dbraw/zinc/33/56/83/521335683.db2.gz AGUGRZLBCKLXTO-SFTDATJTSA-N 1 3 373.541 2.854 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1 ZINC000615260450 521335692 /nfs/dbraw/zinc/33/56/92/521335692.db2.gz AGUGRZLBCKLXTO-SFTDATJTSA-N 1 3 373.541 2.854 20 0 FFADHO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615274404 521347659 /nfs/dbraw/zinc/34/76/59/521347659.db2.gz IUEVWNOZWRPSST-SFTDATJTSA-N 1 3 371.525 2.608 20 0 FFADHO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615274404 521347666 /nfs/dbraw/zinc/34/76/66/521347666.db2.gz IUEVWNOZWRPSST-SFTDATJTSA-N 1 3 371.525 2.608 20 0 FFADHO C[C@@H]1CN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631842126 521758754 /nfs/dbraw/zinc/75/87/54/521758754.db2.gz VWDAAHPKVSSWGN-MDYRTPRTSA-N 1 3 357.523 2.870 20 0 FFADHO C[C@@H]1C[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1CN ZINC000631842126 521758761 /nfs/dbraw/zinc/75/87/61/521758761.db2.gz VWDAAHPKVSSWGN-MDYRTPRTSA-N 1 3 357.523 2.870 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1CN ZINC000631842126 521758766 /nfs/dbraw/zinc/75/87/66/521758766.db2.gz VWDAAHPKVSSWGN-MDYRTPRTSA-N 1 3 357.523 2.870 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000628744280 521767189 /nfs/dbraw/zinc/76/71/89/521767189.db2.gz FAPJLBXICCDIAB-RTBURBONSA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000628744280 521767199 /nfs/dbraw/zinc/76/71/99/521767199.db2.gz FAPJLBXICCDIAB-RTBURBONSA-N 1 3 361.505 2.886 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2c(c1)OCCNC2 ZINC000625943520 521798760 /nfs/dbraw/zinc/79/87/60/521798760.db2.gz JRZIZLWFRWNBLL-UHFFFAOYSA-N 1 3 360.502 2.946 20 0 FFADHO COc1cc(C)c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1OC ZINC000635010307 521863356 /nfs/dbraw/zinc/86/33/56/521863356.db2.gz SAIPUFGGTVVGPN-OAHLLOKOSA-N 1 3 356.470 2.990 20 0 FFADHO COCc1cc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)ccc1OC ZINC000635007044 521864920 /nfs/dbraw/zinc/86/49/20/521864920.db2.gz DFFDASTXCQXPAW-HNNXBMFYSA-N 1 3 356.470 2.819 20 0 FFADHO Cn1cc([C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2cccc(F)c2)cn1 ZINC000635011222 521865414 /nfs/dbraw/zinc/86/54/14/521865414.db2.gz YJKBKJGZQWJUOF-FQEVSTJZSA-N 1 3 366.444 2.565 20 0 FFADHO C[C@@H]1C[C@H](CO)CCN1Cc1cccc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)c1 ZINC000626119579 521943733 /nfs/dbraw/zinc/94/37/33/521943733.db2.gz CHECVNYZTKIOFX-MCEIDBOGSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1C[C@H](CO)CCN1Cc1cccc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)c1 ZINC000626119579 521943738 /nfs/dbraw/zinc/94/37/38/521943738.db2.gz CHECVNYZTKIOFX-MCEIDBOGSA-N 1 3 360.542 2.872 20 0 FFADHO C[N@H+](CCCNC(=O)NC[C@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000623388554 521984634 /nfs/dbraw/zinc/98/46/34/521984634.db2.gz NCMFDWKGKPZXFS-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCNC(=O)NC[C@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000623388554 521984643 /nfs/dbraw/zinc/98/46/43/521984643.db2.gz NCMFDWKGKPZXFS-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000623415404 522005450 /nfs/dbraw/zinc/00/54/50/522005450.db2.gz KNOQFBOMLZDWKB-HBMCJLEFSA-N 1 3 351.494 2.751 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000623415404 522005459 /nfs/dbraw/zinc/00/54/59/522005459.db2.gz KNOQFBOMLZDWKB-HBMCJLEFSA-N 1 3 351.494 2.751 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000623419798 522006819 /nfs/dbraw/zinc/00/68/19/522006819.db2.gz XJJBNSVRAIYIEP-FQEVSTJZSA-N 1 3 372.557 2.725 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000623419798 522006827 /nfs/dbraw/zinc/00/68/27/522006827.db2.gz XJJBNSVRAIYIEP-FQEVSTJZSA-N 1 3 372.557 2.725 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N(C)C ZINC000620192230 522112706 /nfs/dbraw/zinc/11/27/06/522112706.db2.gz IPOLZFWAQBHIGG-VQTJNVASSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N(C)C ZINC000620192230 522112710 /nfs/dbraw/zinc/11/27/10/522112710.db2.gz IPOLZFWAQBHIGG-VQTJNVASSA-N 1 3 357.542 2.991 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000620550038 522289250 /nfs/dbraw/zinc/28/92/50/522289250.db2.gz DUUIWZQYYVSSAK-GOSISDBHSA-N 1 3 360.546 2.989 20 0 FFADHO CC[C@@H](Cc1ccccc1Br)NC[C@H](O)C[NH+]1CCCC1 ZINC000629566886 522321726 /nfs/dbraw/zinc/32/17/26/522321726.db2.gz AYQFOWHCOIGXAR-HOTGVXAUSA-N 1 3 355.320 2.817 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)Nc3ccc4c(c3F)CCNC4)cn2)CC1 ZINC000632951512 522422310 /nfs/dbraw/zinc/42/23/10/522422310.db2.gz OBWKCTPZEACLSN-UHFFFAOYSA-N 1 3 372.448 2.579 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)[C@H]3c3ccco3)CC2)CC1 ZINC000632978885 522445851 /nfs/dbraw/zinc/44/58/51/522445851.db2.gz JNNUERKZTQOZSB-LJQANCHMSA-N 1 3 374.529 2.931 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000624119340 522488637 /nfs/dbraw/zinc/48/86/37/522488637.db2.gz ACDSVLQBTQGZSQ-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119340 522488649 /nfs/dbraw/zinc/48/86/49/522488649.db2.gz ACDSVLQBTQGZSQ-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119340 522488659 /nfs/dbraw/zinc/48/86/59/522488659.db2.gz ACDSVLQBTQGZSQ-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCNC[C@@H]2C(C)C)[NH+](C)C)cc1 ZINC000627045666 522614073 /nfs/dbraw/zinc/61/40/73/522614073.db2.gz QRKFWHJQWOWLJK-QZTJIDSGSA-N 1 3 364.559 2.651 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000627129203 522668269 /nfs/dbraw/zinc/66/82/69/522668269.db2.gz UOKSGNHQCGEQBQ-JKSUJKDBSA-N 1 3 350.894 2.527 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000627201610 522712921 /nfs/dbraw/zinc/71/29/21/522712921.db2.gz IUZBXHDVVBECKZ-ONCXSQPRSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]1CN(CCC[NH2+]Cc2ccnn2CCc2ccccc2)CCCO1 ZINC000621350769 522792258 /nfs/dbraw/zinc/79/22/58/522792258.db2.gz SWCRWQQCBRXTPO-IBGZPJMESA-N 1 3 356.514 2.716 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000624610563 522815367 /nfs/dbraw/zinc/81/53/67/522815367.db2.gz VIJPLQMBYIWDII-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000624610563 522815380 /nfs/dbraw/zinc/81/53/80/522815380.db2.gz VIJPLQMBYIWDII-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000621641727 522991436 /nfs/dbraw/zinc/99/14/36/522991436.db2.gz UKKWILGATDJGGI-YLJYHZDGSA-N 1 3 361.530 2.974 20 0 FFADHO C[C@@H](NC1(CNC(=O)CC[C@H]2CCC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000621649472 522997373 /nfs/dbraw/zinc/99/73/73/522997373.db2.gz JWKJRQOMMJLHNP-RTBURBONSA-N 1 3 373.541 2.782 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN(CCc2ccc(F)cc2)CC(C)C)CC1 ZINC000621739237 523053852 /nfs/dbraw/zinc/05/38/52/523053852.db2.gz XSTICYXXAJFSRE-UHFFFAOYSA-N 1 3 363.521 2.927 20 0 FFADHO CCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)(C1CC1)C1CC1 ZINC000636680527 523140314 /nfs/dbraw/zinc/14/03/14/523140314.db2.gz NYXYDROUYLCUQT-UHFFFAOYSA-N 1 3 362.562 2.813 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cc(CO)ccc2F)CC1 ZINC000625277811 523313232 /nfs/dbraw/zinc/31/32/32/523313232.db2.gz ULDLOHYRBXYTSS-UHFFFAOYSA-N 1 3 352.494 2.888 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(CO)ccc2F)CC1 ZINC000625277811 523313244 /nfs/dbraw/zinc/31/32/44/523313244.db2.gz ULDLOHYRBXYTSS-UHFFFAOYSA-N 1 3 352.494 2.888 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCN1C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033320 523377167 /nfs/dbraw/zinc/37/71/67/523377167.db2.gz JKHIZESHCOTMOK-SQGPQFPESA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCN1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637033320 523377172 /nfs/dbraw/zinc/37/71/72/523377172.db2.gz JKHIZESHCOTMOK-SQGPQFPESA-N 1 3 362.562 2.956 20 0 FFADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)cn2)CC1 ZINC000637278525 523529027 /nfs/dbraw/zinc/52/90/27/523529027.db2.gz GZOHDBCGPYOJKQ-INIZCTEOSA-N 1 3 374.533 2.678 20 0 FFADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)cn2)CC1 ZINC000637278525 523529039 /nfs/dbraw/zinc/52/90/39/523529039.db2.gz GZOHDBCGPYOJKQ-INIZCTEOSA-N 1 3 374.533 2.678 20 0 FFADHO CN(C)CCN(C)CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000623087550 523673098 /nfs/dbraw/zinc/67/30/98/523673098.db2.gz YDCWCKFTJJCLKH-UHFFFAOYSA-N 1 3 366.981 2.778 20 0 FFADHO CN(C)CC[N@H+](C)CCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000623088085 523676494 /nfs/dbraw/zinc/67/64/94/523676494.db2.gz VTKQXTODNUJTPV-UHFFFAOYSA-N 1 3 371.451 2.565 20 0 FFADHO CN(C)CC[N@@H+](C)CCCNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000623088085 523676503 /nfs/dbraw/zinc/67/65/03/523676503.db2.gz VTKQXTODNUJTPV-UHFFFAOYSA-N 1 3 371.451 2.565 20 0 FFADHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821060672 606971698 /nfs/dbraw/zinc/97/16/98/606971698.db2.gz HZJRAGYLPFMDKO-UHFFFAOYSA-N 1 3 360.481 2.950 20 0 FFADHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821060672 606971700 /nfs/dbraw/zinc/97/17/00/606971700.db2.gz HZJRAGYLPFMDKO-UHFFFAOYSA-N 1 3 360.481 2.950 20 0 FFADHO CN(C)c1cc[nH+]c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164907688 721531790 /nfs/dbraw/zinc/53/17/90/721531790.db2.gz NYBXQUWLZPRZTP-IEBWSBKVSA-N 1 3 356.445 2.629 20 0 FFADHO c1cc2c(cc[nH+]c2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164982185 722102049 /nfs/dbraw/zinc/10/20/49/722102049.db2.gz MZMPTWFCROCIPR-FXAWDEMLSA-N 1 3 363.465 2.685 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000902318721 735931552 /nfs/dbraw/zinc/93/15/52/735931552.db2.gz RGFLISYIVWWGRD-HNNXBMFYSA-N 1 3 368.319 2.547 20 0 FFADHO [NH3+]CC1(CC(=O)NCC2(N3CCSCC3)CCCC2)CCCCC1 ZINC000184226373 729322842 /nfs/dbraw/zinc/32/28/42/729322842.db2.gz ZKBZUALXVYAWIL-UHFFFAOYSA-N 1 3 353.576 2.764 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000193762460 729488953 /nfs/dbraw/zinc/48/89/53/729488953.db2.gz GDXIVVPSNMURHV-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000333927653 729812458 /nfs/dbraw/zinc/81/24/58/729812458.db2.gz WOZOLZFMSVDDCU-HRCADAONSA-N 1 3 350.532 2.652 20 0 FFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423366885 729861234 /nfs/dbraw/zinc/86/12/34/729861234.db2.gz CKBUEOFSDDYUEF-CGTJXYLNSA-N 1 3 365.543 2.782 20 0 FFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000641803796 730252966 /nfs/dbraw/zinc/25/29/66/730252966.db2.gz HRBLFAURJAXGGE-CHWSQXEVSA-N 1 3 358.255 2.632 20 0 FFADHO Cc1ccc(Cl)c(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000644577889 730484249 /nfs/dbraw/zinc/48/42/49/730484249.db2.gz SKWSYDKBZWANAF-HMQMGEFJSA-N 1 3 352.906 2.993 20 0 FFADHO Cc1ccc(Cl)c(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000644577889 730484250 /nfs/dbraw/zinc/48/42/50/730484250.db2.gz SKWSYDKBZWANAF-HMQMGEFJSA-N 1 3 352.906 2.993 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862273421 730684542 /nfs/dbraw/zinc/68/45/42/730684542.db2.gz ZEUNLVGJNAKKIC-GJZGRUSLSA-N 1 3 361.477 2.953 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862273421 730684544 /nfs/dbraw/zinc/68/45/44/730684544.db2.gz ZEUNLVGJNAKKIC-GJZGRUSLSA-N 1 3 361.477 2.953 20 0 FFADHO CCN1CC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417206 730952173 /nfs/dbraw/zinc/95/21/73/730952173.db2.gz BVSGVTKIQXGFJN-STQMWFEESA-N 1 3 353.429 2.764 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417206 730952177 /nfs/dbraw/zinc/95/21/77/730952177.db2.gz BVSGVTKIQXGFJN-STQMWFEESA-N 1 3 353.429 2.764 20 0 FFADHO CC[N@H+]1CC[C@@H](CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865417206 730952180 /nfs/dbraw/zinc/95/21/80/730952180.db2.gz BVSGVTKIQXGFJN-STQMWFEESA-N 1 3 353.429 2.764 20 0 FFADHO CN1CCC[N@H+](CCCNCc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865451007 730956642 /nfs/dbraw/zinc/95/66/42/730956642.db2.gz UWOLSBZQHSEFIR-UHFFFAOYSA-N 1 3 363.399 2.842 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865451007 730956646 /nfs/dbraw/zinc/95/66/46/730956646.db2.gz UWOLSBZQHSEFIR-UHFFFAOYSA-N 1 3 363.399 2.842 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000650758771 731025835 /nfs/dbraw/zinc/02/58/35/731025835.db2.gz XFYYMHLAKWVLNS-HNNXBMFYSA-N 1 3 361.511 2.507 20 0 FFADHO CC[N@H+](CCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000651220573 731066228 /nfs/dbraw/zinc/06/62/28/731066228.db2.gz MEAOAGMPCNJDSX-LJQANCHMSA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000651220573 731066230 /nfs/dbraw/zinc/06/62/30/731066230.db2.gz MEAOAGMPCNJDSX-LJQANCHMSA-N 1 3 350.551 2.909 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCCC2(C[NH3+])CC2)c2cccs2)CC1 ZINC000652119770 731167831 /nfs/dbraw/zinc/16/78/31/731167831.db2.gz ZCBMJYQMVLMLSW-MRXNPFEDSA-N 1 3 364.559 2.949 20 0 FFADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(c3ccccc3OC(F)F)C1)[NH2+]2 ZINC000925506638 738511120 /nfs/dbraw/zinc/51/11/20/738511120.db2.gz VOOXWAYNWCYVNI-LYYZXLFJSA-N 1 3 351.441 2.985 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc(Cl)n1 ZINC000868049574 731254718 /nfs/dbraw/zinc/25/47/18/731254718.db2.gz YUERJLMEHPMXFF-BBRMVZONSA-N 1 3 358.873 2.598 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655446407 731458339 /nfs/dbraw/zinc/45/83/39/731458339.db2.gz SEQWPZASHKALIJ-QUCCMNQESA-N 1 3 359.539 2.606 20 0 FFADHO C[C@@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000925732316 738525069 /nfs/dbraw/zinc/52/50/69/738525069.db2.gz DVHKRELDNVMCCN-HNONPPJISA-N 1 3 350.528 2.560 20 0 FFADHO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000925732316 738525071 /nfs/dbraw/zinc/52/50/71/738525071.db2.gz DVHKRELDNVMCCN-HNONPPJISA-N 1 3 350.528 2.560 20 0 FFADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1OCCc2sccc21 ZINC000655770738 731507120 /nfs/dbraw/zinc/50/71/20/731507120.db2.gz OKKFTOOZNBVEOF-QOKNQOGYSA-N 1 3 350.528 2.983 20 0 FFADHO FC(F)(F)COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940404 731529260 /nfs/dbraw/zinc/52/92/60/731529260.db2.gz AJPVJVZWRMJINW-KBPBESRZSA-N 1 3 358.408 2.629 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000657619217 731795848 /nfs/dbraw/zinc/79/58/48/731795848.db2.gz UILLSLSITIPKAK-GOSISDBHSA-N 1 3 353.457 2.732 20 0 FFADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000873234825 731894485 /nfs/dbraw/zinc/89/44/85/731894485.db2.gz IHDATFOVFVIXQF-BRWVUGGUSA-N 1 3 354.441 2.903 20 0 FFADHO CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)s1 ZINC000873247747 731895665 /nfs/dbraw/zinc/89/56/65/731895665.db2.gz SXSIDIRPUYMABC-LBPRGKRZSA-N 1 3 356.499 2.904 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)NCC1([NH+]2CCSCC2)CCCC1 ZINC000659288772 731959437 /nfs/dbraw/zinc/95/94/37/731959437.db2.gz RDCLJTRJPBMGHI-GOSISDBHSA-N 1 3 359.539 2.699 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659490629 731981761 /nfs/dbraw/zinc/98/17/61/731981761.db2.gz ZUGSDTBITURFMU-MSOLQXFVSA-N 1 3 350.551 2.528 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000874433602 732057358 /nfs/dbraw/zinc/05/73/58/732057358.db2.gz ZNWFQTXGGPQXOG-JYJNAYRXSA-N 1 3 350.532 2.558 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000875711417 732182880 /nfs/dbraw/zinc/18/28/80/732182880.db2.gz XTNANXZFEZXCES-SFHVURJKSA-N 1 3 352.567 2.869 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000876736414 732274318 /nfs/dbraw/zinc/27/43/18/732274318.db2.gz KXHBCLDQAVDLIX-ZIAGYGMSSA-N 1 3 364.559 2.769 20 0 FFADHO CCOP(=O)(CCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)OCC ZINC000876811619 732283952 /nfs/dbraw/zinc/28/39/52/732283952.db2.gz LWFGTXZQHLLQEY-IXDOHACOSA-N 1 3 362.451 2.826 20 0 FFADHO CCOP(=O)(CCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)OCC ZINC000876811618 732284049 /nfs/dbraw/zinc/28/40/49/732284049.db2.gz LWFGTXZQHLLQEY-GVDBMIGSSA-N 1 3 362.451 2.826 20 0 FFADHO Clc1ccc(O[C@@H]2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662259276 732289806 /nfs/dbraw/zinc/28/98/06/732289806.db2.gz UAGOOBNTJQCOPG-ZIAGYGMSSA-N 1 3 357.281 2.968 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCSc1cccc(Cl)c1 ZINC000662273409 732291679 /nfs/dbraw/zinc/29/16/79/732291679.db2.gz WEEBURRWBBXDRQ-HNNXBMFYSA-N 1 3 355.935 2.752 20 0 FFADHO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000876929312 732298332 /nfs/dbraw/zinc/29/83/32/732298332.db2.gz HRAZUPADUDBYAN-ZDUSSCGKSA-N 1 3 367.287 2.810 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccsc1 ZINC000662678386 732345436 /nfs/dbraw/zinc/34/54/36/732345436.db2.gz DKUKJZFGNCPQJP-DZGCQCFKSA-N 1 3 363.449 2.789 20 0 FFADHO CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663450441 732444006 /nfs/dbraw/zinc/44/40/06/732444006.db2.gz JEBVRRQQMXTMNX-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663450441 732444008 /nfs/dbraw/zinc/44/40/08/732444008.db2.gz JEBVRRQQMXTMNX-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO Cc1cccc(Cl)c1NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000878623292 732567793 /nfs/dbraw/zinc/56/77/93/732567793.db2.gz JBTNXSDDDNJZCL-INIZCTEOSA-N 1 3 368.953 2.791 20 0 FFADHO COC[C@H](C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)OC ZINC000781426731 738626964 /nfs/dbraw/zinc/62/69/64/738626964.db2.gz MHFPDRDYZYEIIC-LPHOPBHVSA-N 1 3 350.503 2.993 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1F ZINC000665247867 732683611 /nfs/dbraw/zinc/68/36/11/732683611.db2.gz LBPVUTTVELCECT-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1F ZINC000665247867 732683614 /nfs/dbraw/zinc/68/36/14/732683614.db2.gz LBPVUTTVELCECT-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO COc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665640378 732734858 /nfs/dbraw/zinc/73/48/58/732734858.db2.gz SNHBCSUEZCANQH-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO COc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665640378 732734861 /nfs/dbraw/zinc/73/48/61/732734861.db2.gz SNHBCSUEZCANQH-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000665759536 732752435 /nfs/dbraw/zinc/75/24/35/732752435.db2.gz JJUHAWHQRLCCDC-MAUKXSAKSA-N 1 3 350.482 2.554 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000665759536 732752439 /nfs/dbraw/zinc/75/24/39/732752439.db2.gz JJUHAWHQRLCCDC-MAUKXSAKSA-N 1 3 350.482 2.554 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000665763600 732753200 /nfs/dbraw/zinc/75/32/00/732753200.db2.gz GPVCETXXLNOMPR-MAUKXSAKSA-N 1 3 350.482 2.554 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000665763600 732753203 /nfs/dbraw/zinc/75/32/03/732753203.db2.gz GPVCETXXLNOMPR-MAUKXSAKSA-N 1 3 350.482 2.554 20 0 FFADHO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000666990278 732927084 /nfs/dbraw/zinc/92/70/84/732927084.db2.gz YMGYSPFDGXFSHP-GOSISDBHSA-N 1 3 362.543 2.542 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000667670030 733025717 /nfs/dbraw/zinc/02/57/17/733025717.db2.gz KOIBWHCQZRRPEE-ZDUSSCGKSA-N 1 3 366.893 2.626 20 0 FFADHO C[C@@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000883359919 733373050 /nfs/dbraw/zinc/37/30/50/733373050.db2.gz QKJQBCXHISANPL-BXUZGUMPSA-N 1 3 370.362 2.836 20 0 FFADHO CN(C)CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)C1CCCC1 ZINC000927292725 738719425 /nfs/dbraw/zinc/71/94/25/738719425.db2.gz MUQMOUOVDGMGTF-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000892590763 734577402 /nfs/dbraw/zinc/57/74/02/734577402.db2.gz KYBXNQVGQKACSB-BVPBIZIASA-N 1 3 364.921 2.773 20 0 FFADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000894861096 734928945 /nfs/dbraw/zinc/92/89/45/734928945.db2.gz PDSMDYSGODUFAZ-CQSZACIVSA-N 1 3 351.495 2.589 20 0 FFADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000894861096 734928947 /nfs/dbraw/zinc/92/89/47/734928947.db2.gz PDSMDYSGODUFAZ-CQSZACIVSA-N 1 3 351.495 2.589 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000894978204 734947221 /nfs/dbraw/zinc/94/72/21/734947221.db2.gz MPRJOFWHJGUSGU-DOTOQJQBSA-N 1 3 358.368 2.652 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000894978204 734947223 /nfs/dbraw/zinc/94/72/23/734947223.db2.gz MPRJOFWHJGUSGU-DOTOQJQBSA-N 1 3 358.368 2.652 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000738877087 735043850 /nfs/dbraw/zinc/04/38/50/735043850.db2.gz PKEBILOAOOWLPP-HNNXBMFYSA-N 1 3 364.361 2.740 20 0 FFADHO [NH3+]CCCC[C@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1F ZINC000902404623 735942646 /nfs/dbraw/zinc/94/26/46/735942646.db2.gz XTXNEIXXROOMLU-YOEHRIQHSA-N 1 3 360.470 2.692 20 0 FFADHO Cc1nc(-c2cccc(NC(=O)CN3C[C@@H](C)[C@H](CC[NH3+])C3)c2)cs1 ZINC000903496775 736102225 /nfs/dbraw/zinc/10/22/25/736102225.db2.gz CPMRUBZIADYHIX-CZUORRHYSA-N 1 3 358.511 2.974 20 0 FFADHO Brc1cccc2c1OCC[C@@H]2NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903759923 736163030 /nfs/dbraw/zinc/16/30/30/736163030.db2.gz UOCSUXXARLUAJM-NUTKFTJISA-N 1 3 367.287 2.631 20 0 FFADHO Brc1cccc2c1OCC[C@@H]2NC[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903759924 736163114 /nfs/dbraw/zinc/16/31/14/736163114.db2.gz UOCSUXXARLUAJM-PVUWLOKVSA-N 1 3 367.287 2.631 20 0 FFADHO FC(F)(F)[C@@H]1CCC[C@H](CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)O1 ZINC000903775021 736165493 /nfs/dbraw/zinc/16/54/93/736165493.db2.gz FHBOCCAKRDFMDR-XHSDSOJGSA-N 1 3 350.425 2.577 20 0 FFADHO COc1cccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1OC(F)F ZINC000904388717 736247817 /nfs/dbraw/zinc/24/78/17/736247817.db2.gz ACGWAPVOOVABLR-AWEZNQCLSA-N 1 3 356.413 2.626 20 0 FFADHO COc1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(SC)cc1OC ZINC000904392780 736248347 /nfs/dbraw/zinc/24/83/47/736248347.db2.gz ZTIAXHKWYMYQJB-OAHLLOKOSA-N 1 3 366.527 2.756 20 0 FFADHO O[C@@H](CN(Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1)c1ccsc1 ZINC000923318609 738270372 /nfs/dbraw/zinc/27/03/72/738270372.db2.gz NCYAYBCXQFRSJI-MOPGFXCFSA-N 1 3 358.507 2.662 20 0 FFADHO CN1CCC(NC(=S)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000777482691 738292865 /nfs/dbraw/zinc/29/28/65/738292865.db2.gz HAVVIQVQCJHWGL-FQEVSTJZSA-N 1 3 360.571 2.599 20 0 FFADHO CN1CCC(NC(=S)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000777482691 738292869 /nfs/dbraw/zinc/29/28/69/738292869.db2.gz HAVVIQVQCJHWGL-FQEVSTJZSA-N 1 3 360.571 2.599 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1 ZINC000819172127 742347529 /nfs/dbraw/zinc/34/75/29/742347529.db2.gz BFJXXTJMUDEDJW-CEXWTWQISA-N 1 3 352.906 2.731 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Cl)c1 ZINC000819172128 742347706 /nfs/dbraw/zinc/34/77/06/742347706.db2.gz BFJXXTJMUDEDJW-GBESFXJTSA-N 1 3 352.906 2.731 20 0 FFADHO C[C@@H](C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)CN1CCN(C)CC1 ZINC000796284203 740125403 /nfs/dbraw/zinc/12/54/03/740125403.db2.gz KPSHDLIXTJTRLT-ZDUSSCGKSA-N 1 3 370.328 2.614 20 0 FFADHO CC[C@@H](F)CN1C[C@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC000982285437 741202237 /nfs/dbraw/zinc/20/22/37/741202237.db2.gz FKIVEZBORZXCFQ-DSJDWBEOSA-N 1 3 353.526 2.635 20 0 FFADHO CC[C@@H](F)CN1C[C@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC000982285437 741202241 /nfs/dbraw/zinc/20/22/41/741202241.db2.gz FKIVEZBORZXCFQ-DSJDWBEOSA-N 1 3 353.526 2.635 20 0 FFADHO O[C@H](CN1CC[C@@H](Cc2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000814677287 741856630 /nfs/dbraw/zinc/85/66/30/741856630.db2.gz UGWZSWSPZCWPDS-WMZOPIPTSA-N 1 3 367.331 2.770 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(Br)cc1 ZINC000818965451 742316840 /nfs/dbraw/zinc/31/68/40/742316840.db2.gz AOQJGWCECDGNQH-KRWDZBQOSA-N 1 3 353.304 2.947 20 0 FFADHO C[C@](O)(C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1F ZINC000818972916 742318568 /nfs/dbraw/zinc/31/85/68/742318568.db2.gz OYCOTECMDOWJHC-PXAZEXFGSA-N 1 3 371.294 2.870 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000819085360 742336128 /nfs/dbraw/zinc/33/61/28/742336128.db2.gz UMQDYZSEUPGIEF-SCLBCKFNSA-N 1 3 356.869 2.603 20 0 FFADHO C[C@@H]1C[C@H](NC[C@](C)(O)c2ccc(Br)cc2F)CC[N@@H+]1C ZINC000819101907 742337508 /nfs/dbraw/zinc/33/75/08/742337508.db2.gz BAPNHOBXXRPLMG-KFNAQCHYSA-N 1 3 359.283 2.868 20 0 FFADHO C[C@@H]1C[C@H](NC[C@](C)(O)c2ccc(Br)cc2F)CC[N@H+]1C ZINC000819101907 742337512 /nfs/dbraw/zinc/33/75/12/742337512.db2.gz BAPNHOBXXRPLMG-KFNAQCHYSA-N 1 3 359.283 2.868 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000819264756 742364109 /nfs/dbraw/zinc/36/41/09/742364109.db2.gz DEWUVFQMCUVICP-WMLDXEAASA-N 1 3 360.420 2.829 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000819264756 742364111 /nfs/dbraw/zinc/36/41/11/742364111.db2.gz DEWUVFQMCUVICP-WMLDXEAASA-N 1 3 360.420 2.829 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cc(Cl)ccc3F)C2)CC[N@@H+]1C ZINC001020171028 742535878 /nfs/dbraw/zinc/53/58/78/742535878.db2.gz JUVFVAHDJFBMEL-RAEVTNRLSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cc(Cl)ccc3F)C2)CC[N@H+]1C ZINC001020171028 742535884 /nfs/dbraw/zinc/53/58/84/742535884.db2.gz JUVFVAHDJFBMEL-RAEVTNRLSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2cnc(Cl)s2)CC[N@@H+]1C ZINC001024966966 742737623 /nfs/dbraw/zinc/73/76/23/742737623.db2.gz IOKATTYSEXXNCX-UMVBOHGHSA-N 1 3 370.950 2.607 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2cnc(Cl)s2)CC[N@H+]1C ZINC001024966966 742737626 /nfs/dbraw/zinc/73/76/26/742737626.db2.gz IOKATTYSEXXNCX-UMVBOHGHSA-N 1 3 370.950 2.607 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(C/C=C/Cl)CC3)CC[N@@H+]1C ZINC001040707714 743024074 /nfs/dbraw/zinc/02/40/74/743024074.db2.gz GYXIHBYOQJGHPM-MWXKITEQSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(C/C=C/Cl)CC3)CC[N@H+]1C ZINC001040707714 743024083 /nfs/dbraw/zinc/02/40/83/743024083.db2.gz GYXIHBYOQJGHPM-MWXKITEQSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(C/C=C\Cl)CC3)CC[N@@H+]1C ZINC001040707716 743024121 /nfs/dbraw/zinc/02/41/21/743024121.db2.gz GYXIHBYOQJGHPM-YCFODECYSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(C/C=C\Cl)CC3)CC[N@H+]1C ZINC001040707716 743024131 /nfs/dbraw/zinc/02/41/31/743024131.db2.gz GYXIHBYOQJGHPM-YCFODECYSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(CCC(F)(F)F)C3)C2)CC[N@@H+]1C ZINC001041299022 743043768 /nfs/dbraw/zinc/04/37/68/743043768.db2.gz CPBHVSUUAZYRGW-UXLLHSPISA-N 1 3 361.452 2.594 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(CCC(F)(F)F)C3)C2)CC[N@H+]1C ZINC001041299022 743043774 /nfs/dbraw/zinc/04/37/74/743043774.db2.gz CPBHVSUUAZYRGW-UXLLHSPISA-N 1 3 361.452 2.594 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000828961632 745146898 /nfs/dbraw/zinc/14/68/98/745146898.db2.gz SDYRHBPJZNMSFO-HOTGVXAUSA-N 1 3 350.894 2.520 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000830585508 745388386 /nfs/dbraw/zinc/38/83/86/745388386.db2.gz GHTYJDWEZQZALN-NVXWUHKLSA-N 1 3 364.921 2.768 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830745056 745423993 /nfs/dbraw/zinc/42/39/93/745423993.db2.gz AYVDFRYJDBVJJM-GDBMZVCRSA-N 1 3 352.910 2.624 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC000830745056 745423995 /nfs/dbraw/zinc/42/39/95/745423995.db2.gz AYVDFRYJDBVJJM-GDBMZVCRSA-N 1 3 352.910 2.624 20 0 FFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363790 747818737 /nfs/dbraw/zinc/81/87/37/747818737.db2.gz QKPRUOCQXJHCCD-AWEZNQCLSA-N 1 3 351.441 2.560 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@H]3CN(C4CC4)C(=O)O3)C2)s1 ZINC000844327332 748006291 /nfs/dbraw/zinc/00/62/91/748006291.db2.gz PTFQVBLCUUWYCC-WBVHZDCISA-N 1 3 363.527 2.793 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@H]3CN(C4CC4)C(=O)O3)C2)s1 ZINC000844327332 748006296 /nfs/dbraw/zinc/00/62/96/748006296.db2.gz PTFQVBLCUUWYCC-WBVHZDCISA-N 1 3 363.527 2.793 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000852899293 749971143 /nfs/dbraw/zinc/97/11/43/749971143.db2.gz GRAASTAPNJRXOY-OWCLPIDISA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000852899293 749971147 /nfs/dbraw/zinc/97/11/47/749971147.db2.gz GRAASTAPNJRXOY-OWCLPIDISA-N 1 3 350.894 2.566 20 0 FFADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(F)cc1 ZINC000586122632 845952870 /nfs/dbraw/zinc/95/28/70/845952870.db2.gz JYUTXVBSYAOEQD-UHFFFAOYSA-N 1 3 373.538 2.500 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)COC)C1 ZINC001104803878 970860061 /nfs/dbraw/zinc/86/00/61/970860061.db2.gz ZZYPBSIVMPAFSN-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001104938617 971188786 /nfs/dbraw/zinc/18/87/86/971188786.db2.gz XXQIOYPTDPMNHO-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001105064614 971438287 /nfs/dbraw/zinc/43/82/87/971438287.db2.gz ZNOXOXWJFCOALT-NVXWUHKLSA-N 1 3 367.484 2.879 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]2C1)C1CCC1 ZINC001087994816 971743570 /nfs/dbraw/zinc/74/35/70/971743570.db2.gz DLCMOBVMYFXWRE-ZACQAIPSSA-N 1 3 369.500 2.686 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]2C1)C1CCC1 ZINC001087994816 971743575 /nfs/dbraw/zinc/74/35/75/971743575.db2.gz DLCMOBVMYFXWRE-ZACQAIPSSA-N 1 3 369.500 2.686 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000660420720 971843575 /nfs/dbraw/zinc/84/35/75/971843575.db2.gz UNFIOJYBPBAJSB-MOPGFXCFSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000660420720 971843581 /nfs/dbraw/zinc/84/35/81/971843581.db2.gz UNFIOJYBPBAJSB-MOPGFXCFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C[C@H](C)O1 ZINC000660541695 972186229 /nfs/dbraw/zinc/18/62/29/972186229.db2.gz XPFPZXWUFODWBU-VWPQPMDRSA-N 1 3 357.542 2.694 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C[C@H](C)O1 ZINC000660541695 972186235 /nfs/dbraw/zinc/18/62/35/972186235.db2.gz XPFPZXWUFODWBU-VWPQPMDRSA-N 1 3 357.542 2.694 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc4occc4c3)CC2)CC1 ZINC000660572290 972250888 /nfs/dbraw/zinc/25/08/88/972250888.db2.gz ALVCMLXEZBMULY-UHFFFAOYSA-N 1 3 370.497 2.791 20 0 FFADHO CCCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000648999416 1013166157 /nfs/dbraw/zinc/16/61/57/1013166157.db2.gz BZIPIROHDUCCNW-OAQYLSRUSA-N 1 3 372.557 2.532 20 0 FFADHO CCCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000648999416 1013166163 /nfs/dbraw/zinc/16/61/63/1013166163.db2.gz BZIPIROHDUCCNW-OAQYLSRUSA-N 1 3 372.557 2.532 20 0 FFADHO CCN(CC)[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655688093 961071790 /nfs/dbraw/zinc/07/17/90/961071790.db2.gz KIDFNHHVFMJHTG-VXKWHMMOSA-N 1 3 359.558 2.782 20 0 FFADHO C[NH+]1CCC2(CC1)CN(C(=O)c1cccc(CN3CCCCC3)c1)CCO2 ZINC000649129424 1013228055 /nfs/dbraw/zinc/22/80/55/1013228055.db2.gz YHJVOMSBGUNQMK-UHFFFAOYSA-N 1 3 371.525 2.609 20 0 FFADHO OC1CCN(Cc2ccccc2NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655742504 961219327 /nfs/dbraw/zinc/21/93/27/961219327.db2.gz KIFQZXKCRPXOET-NRFANRHFSA-N 1 3 373.541 2.699 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1C ZINC001095424678 1013332842 /nfs/dbraw/zinc/33/28/42/1013332842.db2.gz ZNORPXYXKRPGST-MLNNCEHLSA-N 1 3 367.537 2.867 20 0 FFADHO O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000649373394 1013385092 /nfs/dbraw/zinc/38/50/92/1013385092.db2.gz YACLQSSXBMHYFD-HKUYNNGSSA-N 1 3 359.489 2.829 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)c2)nn1 ZINC000873242584 1013442436 /nfs/dbraw/zinc/44/24/36/1013442436.db2.gz BVLKZIBLELOTJH-HKUYNNGSSA-N 1 3 362.481 2.937 20 0 FFADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873243975 1013444352 /nfs/dbraw/zinc/44/43/52/1013444352.db2.gz OCKOXBCKWIHNTR-CQSZACIVSA-N 1 3 364.453 2.535 20 0 FFADHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccc1N(C)C ZINC000873244068 1013444734 /nfs/dbraw/zinc/44/47/34/1013444734.db2.gz PSZNTNUJKPWKMA-HNNXBMFYSA-N 1 3 350.470 2.643 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000891495735 964387712 /nfs/dbraw/zinc/38/77/12/964387712.db2.gz RXXTWUAKHNUCPK-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000891495735 964387728 /nfs/dbraw/zinc/38/77/28/964387728.db2.gz RXXTWUAKHNUCPK-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891556998 964481897 /nfs/dbraw/zinc/48/18/97/964481897.db2.gz MWRUWMYABWRTDB-ZCNNSNEGSA-N 1 3 356.514 2.750 20 0 FFADHO c1ccc([C@H]2[NH2+]CCC[C@@H]2c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001211847817 965147919 /nfs/dbraw/zinc/14/79/19/965147919.db2.gz HOPSTOKVRQLUDK-QFBILLFUSA-N 1 3 361.449 2.986 20 0 FFADHO CCC[N@H+](C[C@H](O)CN1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000728388483 965170845 /nfs/dbraw/zinc/17/08/45/965170845.db2.gz ZOZLPYGUSXBZGJ-FGZHOGPDSA-N 1 3 359.558 2.820 20 0 FFADHO CCC[N@@H+](C[C@H](O)CN1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000728388483 965170848 /nfs/dbraw/zinc/17/08/48/965170848.db2.gz ZOZLPYGUSXBZGJ-FGZHOGPDSA-N 1 3 359.558 2.820 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](CNCc2ccns2)C1 ZINC001087176939 965185812 /nfs/dbraw/zinc/18/58/12/965185812.db2.gz XAYBUECBHUKSSS-ZACQAIPSSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](CNCc2ccns2)C1 ZINC001087176939 965185820 /nfs/dbraw/zinc/18/58/20/965185820.db2.gz XAYBUECBHUKSSS-ZACQAIPSSA-N 1 3 364.559 2.734 20 0 FFADHO CN1CC[C@H](N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000664836872 965575987 /nfs/dbraw/zinc/57/59/87/965575987.db2.gz RNQFZKYLQOGACP-PMACEKPBSA-N 1 3 355.526 2.840 20 0 FFADHO c1csc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@H]3C2)n1 ZINC001167988235 966073679 /nfs/dbraw/zinc/07/36/79/966073679.db2.gz IPWIUYZZGFQTNV-BNCGXOKJSA-N 1 3 372.582 2.912 20 0 FFADHO c1nn2c(c1C[NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CCC2 ZINC000657314892 966100894 /nfs/dbraw/zinc/10/08/94/966100894.db2.gz FZPIXJLYBBXQCE-UHFFFAOYSA-N 1 3 367.541 2.517 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C[C@H](C)O1 ZINC000657366472 966311099 /nfs/dbraw/zinc/31/10/99/966311099.db2.gz HEXJGYPZWZRUCQ-UEXGIBASSA-N 1 3 362.514 2.833 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C(C)(C)C)[nH]n3)CC2)CC1 ZINC000655391400 966361775 /nfs/dbraw/zinc/36/17/75/966361775.db2.gz MQWJFJZEBRZKOZ-UHFFFAOYSA-N 1 3 361.534 2.842 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000664976855 967133599 /nfs/dbraw/zinc/13/35/99/967133599.db2.gz NYTXBUYSENCUDT-KXBFYZLASA-N 1 3 364.509 2.774 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC000664976855 967133605 /nfs/dbraw/zinc/13/36/05/967133605.db2.gz NYTXBUYSENCUDT-KXBFYZLASA-N 1 3 364.509 2.774 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCc2c1cc(F)cc2F ZINC001267241927 967387838 /nfs/dbraw/zinc/38/78/38/967387838.db2.gz QCJKNFOSJSVGBN-ZXYWRSMDSA-N 1 3 365.468 2.730 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCc2c1cc(F)cc2F ZINC001267241927 967387846 /nfs/dbraw/zinc/38/78/46/967387846.db2.gz QCJKNFOSJSVGBN-ZXYWRSMDSA-N 1 3 365.468 2.730 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21 ZINC001168003031 967467057 /nfs/dbraw/zinc/46/70/57/967467057.db2.gz IVWICVXVFDPNRW-BBCBXFPWSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21 ZINC001168003031 967467062 /nfs/dbraw/zinc/46/70/62/967467062.db2.gz IVWICVXVFDPNRW-BBCBXFPWSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168003031 967467068 /nfs/dbraw/zinc/46/70/68/967467068.db2.gz IVWICVXVFDPNRW-BBCBXFPWSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]21 ZINC001168003031 967467076 /nfs/dbraw/zinc/46/70/76/967467076.db2.gz IVWICVXVFDPNRW-BBCBXFPWSA-N 1 3 361.530 2.943 20 0 FFADHO COc1ccc2nccc(N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)c2c1 ZINC000895135714 967832794 /nfs/dbraw/zinc/83/27/94/967832794.db2.gz NPCDKYQDTPOZBH-UHFFFAOYSA-N 1 3 368.481 2.554 20 0 FFADHO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000647326624 967987727 /nfs/dbraw/zinc/98/77/27/967987727.db2.gz IVAJDFVGVXSEQS-SLFFLAALSA-N 1 3 353.514 2.638 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](CNCc2cncs2)C1 ZINC001087248997 968054617 /nfs/dbraw/zinc/05/46/17/968054617.db2.gz CYMKBSCOKKYXHM-SJORKVTESA-N 1 3 364.559 2.736 20 0 FFADHO Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000128076438 968083204 /nfs/dbraw/zinc/08/32/04/968083204.db2.gz KNEBDIVIBKKFQQ-PKOBYXMFSA-N 1 3 359.514 2.694 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1cc(F)ccc1C ZINC001087577989 968232747 /nfs/dbraw/zinc/23/27/47/968232747.db2.gz UPYCLQLHJQBLIW-GEALJGNFSA-N 1 3 361.505 2.943 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1cc(F)ccc1C ZINC001087577989 968232755 /nfs/dbraw/zinc/23/27/55/968232755.db2.gz UPYCLQLHJQBLIW-GEALJGNFSA-N 1 3 361.505 2.943 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166533 968375839 /nfs/dbraw/zinc/37/58/39/968375839.db2.gz ZGOIOFQIUPETIB-NUEKZKHPSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCN1CCOC1CCC1 ZINC001087636565 968439945 /nfs/dbraw/zinc/43/99/45/968439945.db2.gz XJTXZQVLTUTJTA-ZCNNSNEGSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCN1CCOC1CCC1 ZINC001087636565 968439950 /nfs/dbraw/zinc/43/99/50/968439950.db2.gz XJTXZQVLTUTJTA-ZCNNSNEGSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@@H+]1CCOC1CCC1 ZINC001087636565 968439956 /nfs/dbraw/zinc/43/99/56/968439956.db2.gz XJTXZQVLTUTJTA-ZCNNSNEGSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@H+]1CCOC1CCC1 ZINC001087636565 968439960 /nfs/dbraw/zinc/43/99/60/968439960.db2.gz XJTXZQVLTUTJTA-ZCNNSNEGSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@@H+]1CC1CCOCC1 ZINC001087636617 968440737 /nfs/dbraw/zinc/44/07/37/968440737.db2.gz ZXLPLVZUAOSXRV-ZCNNSNEGSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@H+]1CC1CCOCC1 ZINC001087636617 968440743 /nfs/dbraw/zinc/44/07/43/968440743.db2.gz ZXLPLVZUAOSXRV-ZCNNSNEGSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@@H+]1Cc1oc(C)nc1C ZINC001087642356 968453960 /nfs/dbraw/zinc/45/39/60/968453960.db2.gz KORVJYNCPRIQIB-ZWKOTPCHSA-N 1 3 367.453 2.722 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@H+]1Cc1oc(C)nc1C ZINC001087642356 968453963 /nfs/dbraw/zinc/45/39/63/968453963.db2.gz KORVJYNCPRIQIB-ZWKOTPCHSA-N 1 3 367.453 2.722 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1Cc1oc(C)nc1C ZINC001087642356 968453970 /nfs/dbraw/zinc/45/39/70/968453970.db2.gz KORVJYNCPRIQIB-ZWKOTPCHSA-N 1 3 367.453 2.722 20 0 FFADHO COc1cccc(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)n1 ZINC000658166750 968565774 /nfs/dbraw/zinc/56/57/74/968565774.db2.gz OKYCQPRPIUYUML-QGZVFWFLSA-N 1 3 354.498 2.918 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892442679 968814221 /nfs/dbraw/zinc/81/42/21/968814221.db2.gz HGUCEMBKKFZVMF-UAPYVXQJSA-N 1 3 358.530 2.810 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167631 968976770 /nfs/dbraw/zinc/97/67/70/968976770.db2.gz WBVPCHZVFQXFPB-RRFJBIMHSA-N 1 3 365.484 2.989 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011125 968990625 /nfs/dbraw/zinc/99/06/25/968990625.db2.gz FQWITEIKMGWWCW-SFHVURJKSA-N 1 3 360.502 2.921 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[C@@H](C)[NH+](C)C ZINC000895297533 969074013 /nfs/dbraw/zinc/07/40/13/969074013.db2.gz YKGZWLLQMQEUBC-HUUCEWRRSA-N 1 3 360.502 2.682 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@@H](C)N(C)C ZINC000895297533 969074024 /nfs/dbraw/zinc/07/40/24/969074024.db2.gz YKGZWLLQMQEUBC-HUUCEWRRSA-N 1 3 360.502 2.682 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2cnccc2N(C)C)CC[N@@H+]1Cc1c(C)noc1C ZINC001087798734 969110726 /nfs/dbraw/zinc/11/07/26/969110726.db2.gz IMZYBAIKXWGERB-ZWKOTPCHSA-N 1 3 371.485 2.535 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2cnccc2N(C)C)CC[N@H+]1Cc1c(C)noc1C ZINC001087798734 969110731 /nfs/dbraw/zinc/11/07/31/969110731.db2.gz IMZYBAIKXWGERB-ZWKOTPCHSA-N 1 3 371.485 2.535 20 0 FFADHO CC1CC[NH+](CCCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659033733 969643012 /nfs/dbraw/zinc/64/30/12/969643012.db2.gz XVSBVZWYQNCZPW-LJQANCHMSA-N 1 3 360.502 2.591 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C[NH+]1CCCCC1 ZINC000659031377 969646311 /nfs/dbraw/zinc/64/63/11/969646311.db2.gz NXEXXCQEPOETJP-APWZRJJASA-N 1 3 360.502 2.591 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659038482 969656827 /nfs/dbraw/zinc/65/68/27/969656827.db2.gz RGFJKUKUJKNOFU-PXNSSMCTSA-N 1 3 372.513 2.687 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659307058 969813071 /nfs/dbraw/zinc/81/30/71/969813071.db2.gz KFGZJFRTIXPEQM-FQEVSTJZSA-N 1 3 355.457 2.951 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH3+])CCCC1)c1cccc(OC)c1 ZINC000659430714 969921435 /nfs/dbraw/zinc/92/14/35/969921435.db2.gz XANAYWQLOHGXBL-SFHVURJKSA-N 1 3 362.518 2.649 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659432185 969922173 /nfs/dbraw/zinc/92/21/73/969922173.db2.gz WAGVTCZTXWLMHI-ATZDWAIDSA-N 1 3 362.493 2.642 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659432185 969922176 /nfs/dbraw/zinc/92/21/76/969922176.db2.gz WAGVTCZTXWLMHI-ATZDWAIDSA-N 1 3 362.493 2.642 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)[C@H]1c1ccccc1 ZINC000659473590 969969890 /nfs/dbraw/zinc/96/98/90/969969890.db2.gz KOMIEUIDOSSJRU-PCCBWWKXSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001104678808 970088192 /nfs/dbraw/zinc/08/81/92/970088192.db2.gz CHHVNXSZKXPRGA-YQVWRLOYSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1CC[NH2+]CCCF ZINC001104681812 970093644 /nfs/dbraw/zinc/09/36/44/970093644.db2.gz QBIFOGHMRHGXKY-MDZRGWNJSA-N 1 3 359.505 2.633 20 0 FFADHO C[NH2+]C[C@H](C)NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000659648107 970095992 /nfs/dbraw/zinc/09/59/92/970095992.db2.gz QMIHKBOWXXCKEG-IBGZPJMESA-N 1 3 368.525 2.938 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CCCCCF ZINC001104683325 970099385 /nfs/dbraw/zinc/09/93/85/970099385.db2.gz KKXPVORWWUWVDX-QZTJIDSGSA-N 1 3 355.542 2.932 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC1CCC2(CC2)CC1 ZINC001104732587 970188285 /nfs/dbraw/zinc/18/82/85/970188285.db2.gz XTUPQAFVHGYGNX-SJLPKXTDSA-N 1 3 358.530 2.997 20 0 FFADHO CCn1cc(CN[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000892942222 970396033 /nfs/dbraw/zinc/39/60/33/970396033.db2.gz UPHCXTTVQSSWTJ-MRXNPFEDSA-N 1 3 359.493 2.953 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4nccnc4c3)C2)C1 ZINC001137087245 1013997398 /nfs/dbraw/zinc/99/73/98/1013997398.db2.gz ZHOZXSXICMUAMQ-DENIHFKCSA-N 1 3 366.509 2.810 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4nccnc4c3)C2)C1 ZINC001137087245 1013997402 /nfs/dbraw/zinc/99/74/02/1013997402.db2.gz ZHOZXSXICMUAMQ-DENIHFKCSA-N 1 3 366.509 2.810 20 0 FFADHO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)C2 ZINC000895458738 970638928 /nfs/dbraw/zinc/63/89/28/970638928.db2.gz YLYNJEPAZZTNFF-LICMUICMSA-N 1 3 354.494 2.971 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000665553124 972726268 /nfs/dbraw/zinc/72/62/68/972726268.db2.gz OATBKKGJQQXLGU-WIYYLYMNSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000665553124 972726276 /nfs/dbraw/zinc/72/62/76/972726276.db2.gz OATBKKGJQQXLGU-WIYYLYMNSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088106519 972825684 /nfs/dbraw/zinc/82/56/84/972825684.db2.gz FOTMCUFERIIHIG-NRSPTQNISA-N 1 3 359.558 2.999 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088106519 972825699 /nfs/dbraw/zinc/82/56/99/972825699.db2.gz FOTMCUFERIIHIG-NRSPTQNISA-N 1 3 359.558 2.999 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4ccccc4n3)CC2)CC1 ZINC000660833059 972963528 /nfs/dbraw/zinc/96/35/28/972963528.db2.gz CXTFUGMYSLUCEA-UHFFFAOYSA-N 1 3 353.514 2.622 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4ccccc4n3)CC2)CC1 ZINC000660833059 972963536 /nfs/dbraw/zinc/96/35/36/972963536.db2.gz CXTFUGMYSLUCEA-UHFFFAOYSA-N 1 3 353.514 2.622 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4ccccc4n3)CC2)CC1 ZINC000660833059 972963540 /nfs/dbraw/zinc/96/35/40/972963540.db2.gz CXTFUGMYSLUCEA-UHFFFAOYSA-N 1 3 353.514 2.622 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660992468 973332718 /nfs/dbraw/zinc/33/27/18/973332718.db2.gz RXUPRFKZOQEPRY-GOSISDBHSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1ccccc1[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665640452 973799389 /nfs/dbraw/zinc/79/93/89/973799389.db2.gz VEKFOGFRGYLBSS-RBUKOAKNSA-N 1 3 360.546 2.766 20 0 FFADHO Cc1ccccc1[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665640452 973799396 /nfs/dbraw/zinc/79/93/96/973799396.db2.gz VEKFOGFRGYLBSS-RBUKOAKNSA-N 1 3 360.546 2.766 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)c2ccccc21 ZINC000665761576 974095416 /nfs/dbraw/zinc/09/54/16/974095416.db2.gz IVZRRXNSHVEHSE-KRWDZBQOSA-N 1 3 358.530 2.910 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)c2ccccc21 ZINC000665761576 974095427 /nfs/dbraw/zinc/09/54/27/974095427.db2.gz IVZRRXNSHVEHSE-KRWDZBQOSA-N 1 3 358.530 2.910 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662806805 974148267 /nfs/dbraw/zinc/14/82/67/974148267.db2.gz SVFCWRMTHSCJON-NRFANRHFSA-N 1 3 365.477 2.865 20 0 FFADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000909597747 974162497 /nfs/dbraw/zinc/16/24/97/974162497.db2.gz AZFFZTLUXFATLG-GJZGRUSLSA-N 1 3 374.403 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001029742791 974186807 /nfs/dbraw/zinc/18/68/07/974186807.db2.gz ZFCXRHLKEGIUJC-XKGZKEIXSA-N 1 3 361.505 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)Cc3ccccc3F)C2)CC[N@H+]1C ZINC001029742791 974186810 /nfs/dbraw/zinc/18/68/10/974186810.db2.gz ZFCXRHLKEGIUJC-XKGZKEIXSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)N(C)Cc1ccccc1 ZINC000652149863 974630585 /nfs/dbraw/zinc/63/05/85/974630585.db2.gz DIKQZAXRKMTQKG-HNNXBMFYSA-N 1 3 358.461 2.604 20 0 FFADHO [NH3+]CCC1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000652152637 974638622 /nfs/dbraw/zinc/63/86/22/974638622.db2.gz SLRMLTXBLLVAPJ-FQEVSTJZSA-N 1 3 358.530 2.984 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH3+])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000652276528 974761556 /nfs/dbraw/zinc/76/15/56/974761556.db2.gz ZRHVTMNQEDSSCD-LJQANCHMSA-N 1 3 370.472 2.700 20 0 FFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211673326 974762349 /nfs/dbraw/zinc/76/23/49/974762349.db2.gz CNEUFZOQHSAWQU-LMWWOWKSSA-N 1 3 361.917 2.807 20 0 FFADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211673326 974762352 /nfs/dbraw/zinc/76/23/52/974762352.db2.gz CNEUFZOQHSAWQU-LMWWOWKSSA-N 1 3 361.917 2.807 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000652282374 974767385 /nfs/dbraw/zinc/76/73/85/974767385.db2.gz AFGBAKULFIFJQU-UHFFFAOYSA-N 1 3 354.498 2.679 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000652284182 974771418 /nfs/dbraw/zinc/77/14/18/974771418.db2.gz JTUXCMUSJJQJSF-UHFFFAOYSA-N 1 3 358.530 2.814 20 0 FFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360479 974997510 /nfs/dbraw/zinc/99/75/10/974997510.db2.gz JAXXIXHBRDEHSG-GSEOLPGOSA-N 1 3 359.514 2.567 20 0 FFADHO Fc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000662028676 975109243 /nfs/dbraw/zinc/10/92/43/975109243.db2.gz ACBAVNLYDDYCFY-ZFMNYDKASA-N 1 3 374.500 2.762 20 0 FFADHO Fc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000662028676 975109249 /nfs/dbraw/zinc/10/92/49/975109249.db2.gz ACBAVNLYDDYCFY-ZFMNYDKASA-N 1 3 374.500 2.762 20 0 FFADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529480 975346537 /nfs/dbraw/zinc/34/65/37/975346537.db2.gz BAICFGHDEQOLMG-VDGAXYAQSA-N 1 3 353.526 2.827 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290546 975406631 /nfs/dbraw/zinc/40/66/31/975406631.db2.gz GKUADWWRULVDQS-APWZRJJASA-N 1 3 361.505 2.585 20 0 FFADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293457 975408165 /nfs/dbraw/zinc/40/81/65/975408165.db2.gz SFEYIRYOOBAQAZ-XLIONFOSSA-N 1 3 355.526 2.671 20 0 FFADHO COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297814 975411095 /nfs/dbraw/zinc/41/10/95/975411095.db2.gz SGIUQCBWLZXFFL-SJLPKXTDSA-N 1 3 359.514 2.584 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NCC1(c2ccccc2)CC1 ZINC000662295857 975412804 /nfs/dbraw/zinc/41/28/04/975412804.db2.gz IEJBUOOGOYZGBH-IBGZPJMESA-N 1 3 355.526 2.546 20 0 FFADHO COCC1(NCC2(C[NH2+]C3(COC)CCCCC3)COC2)CCCCC1 ZINC000662341190 975445282 /nfs/dbraw/zinc/44/52/82/975445282.db2.gz MCADOXSSOHPSTP-UHFFFAOYSA-N 1 3 368.562 2.881 20 0 FFADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCC([NH3+])CC1 ZINC000662405175 975472370 /nfs/dbraw/zinc/47/23/70/975472370.db2.gz LKLUOQYZFREIDJ-GRERDSQWSA-N 1 3 367.493 2.522 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CCNC2 ZINC000662481706 975600595 /nfs/dbraw/zinc/60/05/95/975600595.db2.gz ADKPLASXJNVMLY-KRWDZBQOSA-N 1 3 369.534 2.988 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CCNC2 ZINC000662481706 975600601 /nfs/dbraw/zinc/60/06/01/975600601.db2.gz ADKPLASXJNVMLY-KRWDZBQOSA-N 1 3 369.534 2.988 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3c(c2)COC3)CC[N@@H+]1C ZINC001027892637 975730436 /nfs/dbraw/zinc/73/04/36/975730436.db2.gz BBKJBZAQFHGIQR-PCCBWWKXSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc3c(c2)COC3)CC[N@H+]1C ZINC001027892637 975730443 /nfs/dbraw/zinc/73/04/43/975730443.db2.gz BBKJBZAQFHGIQR-PCCBWWKXSA-N 1 3 371.525 2.528 20 0 FFADHO [NH3+]CC1(CC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000662637445 975777832 /nfs/dbraw/zinc/77/78/32/975777832.db2.gz IAAZRQMUJOCQCF-UHFFFAOYSA-N 1 3 358.530 2.709 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000662638930 975780524 /nfs/dbraw/zinc/78/05/24/975780524.db2.gz YRGLVEZPXLZIDT-MRXNPFEDSA-N 1 3 352.482 2.743 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000663443226 975904133 /nfs/dbraw/zinc/90/41/33/975904133.db2.gz CUWXIFYILLDKPS-NHCUHLMSSA-N 1 3 372.557 2.581 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000663443226 975904142 /nfs/dbraw/zinc/90/41/42/975904142.db2.gz CUWXIFYILLDKPS-NHCUHLMSSA-N 1 3 372.557 2.581 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000663460075 975956970 /nfs/dbraw/zinc/95/69/70/975956970.db2.gz XVHPOZXIBSSOMW-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000663460075 975956980 /nfs/dbraw/zinc/95/69/80/975956980.db2.gz XVHPOZXIBSSOMW-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO Cc1cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc(N2CCN(C(C)C)CC2)c1 ZINC000653347864 1014308935 /nfs/dbraw/zinc/30/89/35/1014308935.db2.gz SPJPJASZAKUVAK-LEWJYISDSA-N 1 3 370.541 2.995 20 0 FFADHO CCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000663644719 976612153 /nfs/dbraw/zinc/61/21/53/976612153.db2.gz ZSVOEQZZLQXQHG-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663644719 976612160 /nfs/dbraw/zinc/61/21/60/976612160.db2.gz ZSVOEQZZLQXQHG-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667680470 976724444 /nfs/dbraw/zinc/72/44/44/976724444.db2.gz HVMDNRXRCPOECX-UHFFFAOYSA-N 1 3 371.529 2.838 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667680470 976724453 /nfs/dbraw/zinc/72/44/53/976724453.db2.gz HVMDNRXRCPOECX-UHFFFAOYSA-N 1 3 371.529 2.838 20 0 FFADHO COc1ccc([C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000876710145 1014357873 /nfs/dbraw/zinc/35/78/73/1014357873.db2.gz FGZLAZFKLFBBBQ-OFCNEKEDSA-N 1 3 357.498 2.504 20 0 FFADHO CN1CCN(c2ccnc3cc(OC(F)(F)F)ccc32)CC[N@H+](C)CC1 ZINC000899877070 977374007 /nfs/dbraw/zinc/37/40/07/977374007.db2.gz BCDKFNRWPBEKPU-UHFFFAOYSA-N 1 3 368.403 2.817 20 0 FFADHO CN1CCN(c2ccnc3cc(OC(F)(F)F)ccc32)CC[N@@H+](C)CC1 ZINC000899877070 977374009 /nfs/dbraw/zinc/37/40/09/977374009.db2.gz BCDKFNRWPBEKPU-UHFFFAOYSA-N 1 3 368.403 2.817 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cnc3c(F)cccc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000876782450 1014391590 /nfs/dbraw/zinc/39/15/90/1014391590.db2.gz RGLKSFLEQGVEPT-OXQOHEQNSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cnc3c(F)cccc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000876782450 1014391599 /nfs/dbraw/zinc/39/15/99/1014391599.db2.gz RGLKSFLEQGVEPT-OXQOHEQNSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894064282 977651679 /nfs/dbraw/zinc/65/16/79/977651679.db2.gz RSJOPGAJIMKKOB-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894064282 977651682 /nfs/dbraw/zinc/65/16/82/977651682.db2.gz RSJOPGAJIMKKOB-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H]1CCN(C)C1 ZINC000664145962 978071377 /nfs/dbraw/zinc/07/13/77/978071377.db2.gz MSNCETUZSFHERQ-XLIONFOSSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCCF)C1 ZINC001112124431 978094337 /nfs/dbraw/zinc/09/43/37/978094337.db2.gz IZQITNDZNGGCCC-ZIAGYGMSSA-N 1 3 369.447 2.835 20 0 FFADHO Cc1cc(CN[C@@H]2CCCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC001088316615 979130907 /nfs/dbraw/zinc/13/09/07/979130907.db2.gz FALURQLVHFARHC-JFIYKMOQSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1cc(CN[C@@H]2CCCCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC001088316615 979130908 /nfs/dbraw/zinc/13/09/08/979130908.db2.gz FALURQLVHFARHC-JFIYKMOQSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CC4CCC(F)(F)CC4)C[C@H]32)C1 ZINC001076243930 979276355 /nfs/dbraw/zinc/27/63/55/979276355.db2.gz JJFRAMSZFITWHK-BPQIPLTHSA-N 1 3 369.500 2.686 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC4CCC(F)(F)CC4)C[C@H]32)C1 ZINC001076243930 979276358 /nfs/dbraw/zinc/27/63/58/979276358.db2.gz JJFRAMSZFITWHK-BPQIPLTHSA-N 1 3 369.500 2.686 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N2CCCCC[C@@H](NCCF)C2)[C@@H](c2ccccc2)C1 ZINC001088387307 979406471 /nfs/dbraw/zinc/40/64/71/979406471.db2.gz NQRBLOAQKSMFGI-AQNXPRMDSA-N 1 3 361.505 2.662 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N2CCCCC[C@@H](NCCF)C2)[C@@H](c2ccccc2)C1 ZINC001088387307 979406472 /nfs/dbraw/zinc/40/64/72/979406472.db2.gz NQRBLOAQKSMFGI-AQNXPRMDSA-N 1 3 361.505 2.662 20 0 FFADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)[C@H]1CCCc2ccccc21 ZINC001168368360 980075167 /nfs/dbraw/zinc/07/51/67/980075167.db2.gz IZOHKLGAEPGRGR-NRFANRHFSA-N 1 3 355.526 2.687 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccccc1OCc1cccnc1)CC2 ZINC000904390817 980262196 /nfs/dbraw/zinc/26/21/96/980262196.db2.gz CVDRFDKXKNFTLN-FQEVSTJZSA-N 1 3 367.493 2.990 20 0 FFADHO Cc1cccc([C@@H](O)C[NH2+]Cc2ccccc2CN2CCC(O)CC2)c1 ZINC000905145797 980393802 /nfs/dbraw/zinc/39/38/02/980393802.db2.gz OSFKDDYEHGEROC-QFIPXVFZSA-N 1 3 354.494 2.775 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088571797 981165333 /nfs/dbraw/zinc/16/53/33/981165333.db2.gz NYORETMHDOIEEM-XPGWFJOJSA-N 1 3 366.509 2.589 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+](C)C3CCCC3)cc2)CC1 ZINC000729622376 981175799 /nfs/dbraw/zinc/17/57/99/981175799.db2.gz BRSYQDVHSLQMGC-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+](C)C3CCCC3)cc2)CC1 ZINC000729622376 981175801 /nfs/dbraw/zinc/17/58/01/981175801.db2.gz BRSYQDVHSLQMGC-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3N(C)C)[C@@H]2C)CC[N@@H+]1C ZINC001088579180 981293686 /nfs/dbraw/zinc/29/36/86/981293686.db2.gz SOYLDLXRFXIRFM-BTHPGYMESA-N 1 3 372.557 2.562 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3N(C)C)[C@@H]2C)CC[N@H+]1C ZINC001088579180 981293689 /nfs/dbraw/zinc/29/36/89/981293689.db2.gz SOYLDLXRFXIRFM-BTHPGYMESA-N 1 3 372.557 2.562 20 0 FFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCCCN3[C@H]3CC[NH2+]C3)n2)cc1 ZINC001212101004 981654322 /nfs/dbraw/zinc/65/43/22/981654322.db2.gz HMEVMUKRQZPVFD-ROUUACIJSA-N 1 3 355.486 2.687 20 0 FFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC001212101002 981654351 /nfs/dbraw/zinc/65/43/51/981654351.db2.gz HMEVMUKRQZPVFD-MSOLQXFVSA-N 1 3 355.486 2.687 20 0 FFADHO Cc1ccc(-n2cccn2)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666865234 982278658 /nfs/dbraw/zinc/27/86/58/982278658.db2.gz IAYCTKOCQUJBOO-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1ccc(-n2cccn2)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666865234 982278668 /nfs/dbraw/zinc/27/86/68/982278668.db2.gz IAYCTKOCQUJBOO-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO OCCc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000898172553 982633715 /nfs/dbraw/zinc/63/37/15/982633715.db2.gz NXOIIHSMTMFAOB-UHFFFAOYSA-N 1 3 354.494 2.986 20 0 FFADHO CN(CCc1ccc(C(N)=O)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878150507 1014883308 /nfs/dbraw/zinc/88/33/08/1014883308.db2.gz KSMFGKJKQUQHCQ-FQEVSTJZSA-N 1 3 351.494 2.782 20 0 FFADHO CN(CCc1ccc(C(N)=O)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878150507 1014883317 /nfs/dbraw/zinc/88/33/17/1014883317.db2.gz KSMFGKJKQUQHCQ-FQEVSTJZSA-N 1 3 351.494 2.782 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1CNCc1cscn1 ZINC001107072088 983913476 /nfs/dbraw/zinc/91/34/76/983913476.db2.gz FMJFMVOTXGGAJD-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO C[C@H](CN)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168530400 984291109 /nfs/dbraw/zinc/29/11/09/984291109.db2.gz SWYHSKQEJREENU-AGIUHOORSA-N 1 3 353.429 2.843 20 0 FFADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168530400 984291114 /nfs/dbraw/zinc/29/11/14/984291114.db2.gz SWYHSKQEJREENU-AGIUHOORSA-N 1 3 353.429 2.843 20 0 FFADHO CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407935 984512892 /nfs/dbraw/zinc/51/28/92/984512892.db2.gz IVDDBJKAONUJJI-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO CCOCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407935 984512895 /nfs/dbraw/zinc/51/28/95/984512895.db2.gz IVDDBJKAONUJJI-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)n(C)c1C ZINC000382273465 984554283 /nfs/dbraw/zinc/55/42/83/984554283.db2.gz BZRWTBWZCWLQQF-GOSISDBHSA-N 1 3 355.482 2.732 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC(C)C)CC2 ZINC001107454619 984559492 /nfs/dbraw/zinc/55/94/92/984559492.db2.gz IONKTGMSCFQRQG-YLJYHZDGSA-N 1 3 353.551 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC(C)C)CC2 ZINC001107454619 984559498 /nfs/dbraw/zinc/55/94/98/984559498.db2.gz IONKTGMSCFQRQG-YLJYHZDGSA-N 1 3 353.551 2.503 20 0 FFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107457641 984562980 /nfs/dbraw/zinc/56/29/80/984562980.db2.gz GXKUIZLVCKDDTF-YLJYHZDGSA-N 1 3 353.526 2.970 20 0 FFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107457641 984562984 /nfs/dbraw/zinc/56/29/84/984562984.db2.gz GXKUIZLVCKDDTF-YLJYHZDGSA-N 1 3 353.526 2.970 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000669483835 984652111 /nfs/dbraw/zinc/65/21/11/984652111.db2.gz OUTMYAZOMWACPU-HBMCJLEFSA-N 1 3 370.541 2.855 20 0 FFADHO O[C@H](C[C@H](O)c1ccccc1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000878535666 1015090001 /nfs/dbraw/zinc/09/00/01/1015090001.db2.gz AHSPBDPJAMEGKS-ACESQOTJSA-N 1 3 366.505 2.535 20 0 FFADHO O[C@H](C[C@H](O)c1ccccc1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000878535666 1015090004 /nfs/dbraw/zinc/09/00/04/1015090004.db2.gz AHSPBDPJAMEGKS-ACESQOTJSA-N 1 3 366.505 2.535 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000765783032 985832218 /nfs/dbraw/zinc/83/22/18/985832218.db2.gz JEYBIOUCPZJROP-KSEOMHKRSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000765783032 985832228 /nfs/dbraw/zinc/83/22/28/985832228.db2.gz JEYBIOUCPZJROP-KSEOMHKRSA-N 1 3 359.558 2.986 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCCc1ccccc1Cl ZINC001089038667 986056624 /nfs/dbraw/zinc/05/66/24/986056624.db2.gz GMQHHSGUCJYNTG-SUMDDJOVSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCCc1ccccc1Cl ZINC001089038667 986056634 /nfs/dbraw/zinc/05/66/34/986056634.db2.gz GMQHHSGUCJYNTG-SUMDDJOVSA-N 1 3 363.933 2.803 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](OC(C)C)C3)CC2)CC1 ZINC000655163160 986342297 /nfs/dbraw/zinc/34/22/97/986342297.db2.gz GGTCSCSBLIJOPG-FQEVSTJZSA-N 1 3 365.562 2.599 20 0 FFADHO CN1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000669872784 986534653 /nfs/dbraw/zinc/53/46/53/986534653.db2.gz RBOBCTGVNADLNN-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000669872784 986534658 /nfs/dbraw/zinc/53/46/58/986534658.db2.gz RBOBCTGVNADLNN-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000669872785 986535830 /nfs/dbraw/zinc/53/58/30/986535830.db2.gz RBOBCTGVNADLNN-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000669872785 986535837 /nfs/dbraw/zinc/53/58/37/986535837.db2.gz RBOBCTGVNADLNN-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccc(C(=O)NCC[NH+](C)C)cc3)ccc2O1 ZINC000921759021 986940018 /nfs/dbraw/zinc/94/00/18/986940018.db2.gz HBUHTVSNAHRCMT-INIZCTEOSA-N 1 3 367.493 2.591 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000913858045 986973988 /nfs/dbraw/zinc/97/39/88/986973988.db2.gz CCJROYKXPDQGGS-WOJBJXKFSA-N 1 3 369.513 2.677 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921840194 987203877 /nfs/dbraw/zinc/20/38/77/987203877.db2.gz BZUKRXGGXWWYTJ-IAGOWNOFSA-N 1 3 368.525 2.739 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc4ncccc4c3)CC2)CC[N@@H+]1C ZINC001002851990 987541565 /nfs/dbraw/zinc/54/15/65/987541565.db2.gz MQNXCAILWFPIEP-OXQOHEQNSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc4ncccc4c3)CC2)CC[N@H+]1C ZINC001002851990 987541572 /nfs/dbraw/zinc/54/15/72/987541572.db2.gz MQNXCAILWFPIEP-OXQOHEQNSA-N 1 3 366.509 2.656 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1OC ZINC001212486896 987681557 /nfs/dbraw/zinc/68/15/57/987681557.db2.gz IDSLGAHEMFIZTC-QZTJIDSGSA-N 1 3 367.578 2.749 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1OC ZINC001212486896 987681561 /nfs/dbraw/zinc/68/15/61/987681561.db2.gz IDSLGAHEMFIZTC-QZTJIDSGSA-N 1 3 367.578 2.749 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497173 987774456 /nfs/dbraw/zinc/77/44/56/987774456.db2.gz JKOLANSCKSTILI-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497173 987774463 /nfs/dbraw/zinc/77/44/63/987774463.db2.gz JKOLANSCKSTILI-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO COc1cc(F)c(CNCC2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000657537453 988294170 /nfs/dbraw/zinc/29/41/70/988294170.db2.gz LPHOMDNRABIMCD-UHFFFAOYSA-N 1 3 366.477 2.824 20 0 FFADHO COc1cc2c(c(CN[C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)c1)O[C@@H](C)C2 ZINC000922390088 988545692 /nfs/dbraw/zinc/54/56/92/988545692.db2.gz XGOBQUBVBDZBSC-PIAXUNGASA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(c(CN[C@@H]3C[C@@]4(C[N@@H+](C)[C@H]4C(C)C)C[C@H]3O)c1)O[C@@H](C)C2 ZINC000922390088 988545704 /nfs/dbraw/zinc/54/57/04/988545704.db2.gz XGOBQUBVBDZBSC-PIAXUNGASA-N 1 3 374.525 2.588 20 0 FFADHO Cc1ccncc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672236 988621085 /nfs/dbraw/zinc/62/10/85/988621085.db2.gz MAMBQPXWQRVTQA-IEBWSBKVSA-N 1 3 360.546 2.552 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001033091844 988773289 /nfs/dbraw/zinc/77/32/89/988773289.db2.gz NKYMCEPROMTHIM-MAODMQOUSA-N 1 3 355.526 2.548 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001033091844 988773302 /nfs/dbraw/zinc/77/33/02/988773302.db2.gz NKYMCEPROMTHIM-MAODMQOUSA-N 1 3 355.526 2.548 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@@H+]1C ZINC001033092758 988776433 /nfs/dbraw/zinc/77/64/33/988776433.db2.gz VBBVWMCZZWCJLQ-MAODMQOUSA-N 1 3 355.526 2.937 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@H+]1C ZINC001033092758 988776443 /nfs/dbraw/zinc/77/64/43/988776443.db2.gz VBBVWMCZZWCJLQ-MAODMQOUSA-N 1 3 355.526 2.937 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000915681452 988849059 /nfs/dbraw/zinc/84/90/59/988849059.db2.gz WBWDZSRDSRVFNZ-AZUAARDMSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000915681452 988849065 /nfs/dbraw/zinc/84/90/65/988849065.db2.gz WBWDZSRDSRVFNZ-AZUAARDMSA-N 1 3 371.529 2.577 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccc(C)cc2)[C@H](C)C1 ZINC001106783331 989042872 /nfs/dbraw/zinc/04/28/72/989042872.db2.gz MTNDZJGTAXJJGT-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033835260 989747646 /nfs/dbraw/zinc/74/76/46/989747646.db2.gz WMUFKOLLSLEMTE-LSTHTHJFSA-N 1 3 361.505 2.919 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033835260 989747649 /nfs/dbraw/zinc/74/76/49/989747649.db2.gz WMUFKOLLSLEMTE-LSTHTHJFSA-N 1 3 361.505 2.919 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000675811775 990388534 /nfs/dbraw/zinc/38/85/34/990388534.db2.gz IFTXFOMAESONHS-WDSOQIARSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000675811775 990388541 /nfs/dbraw/zinc/38/85/41/990388541.db2.gz IFTXFOMAESONHS-WDSOQIARSA-N 1 3 362.514 2.725 20 0 FFADHO S=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000920310155 990830100 /nfs/dbraw/zinc/83/01/00/990830100.db2.gz VLKJRSRKMOWXKL-UXHICEINSA-N 1 3 372.582 2.742 20 0 FFADHO S=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000920310155 990830103 /nfs/dbraw/zinc/83/01/03/990830103.db2.gz VLKJRSRKMOWXKL-UXHICEINSA-N 1 3 372.582 2.742 20 0 FFADHO Cc1nc(-c2ccccc2)oc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879595307 1015602377 /nfs/dbraw/zinc/60/23/77/1015602377.db2.gz YFGBJVCZIWNWGR-UHFFFAOYSA-N 1 3 354.498 2.862 20 0 FFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000923489629 991185590 /nfs/dbraw/zinc/18/55/90/991185590.db2.gz PYLVKWNTBIVBCA-TZIWHRDSSA-N 1 3 351.494 2.757 20 0 FFADHO [NH3+]CC[C@H]1CCN(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000923489625 991185779 /nfs/dbraw/zinc/18/57/79/991185779.db2.gz PYLVKWNTBIVBCA-FPOVZHCZSA-N 1 3 351.494 2.757 20 0 FFADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000923520249 991208096 /nfs/dbraw/zinc/20/80/96/991208096.db2.gz PMUNNJASXZVWDV-UEXGIBASSA-N 1 3 369.534 2.885 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000380444522 991687322 /nfs/dbraw/zinc/68/73/22/991687322.db2.gz CSCKLPXZIWIYIS-WOIUINJBSA-N 1 3 373.541 2.547 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000380444522 991687326 /nfs/dbraw/zinc/68/73/26/991687326.db2.gz CSCKLPXZIWIYIS-WOIUINJBSA-N 1 3 373.541 2.547 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1F ZINC001079298722 991986353 /nfs/dbraw/zinc/98/63/53/991986353.db2.gz CJSNHHLXZMBOLG-AZUAARDMSA-N 1 3 361.505 2.850 20 0 FFADHO Cc1nc(C(C)C)oc1CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722276 991998170 /nfs/dbraw/zinc/99/81/70/991998170.db2.gz GSNTXRQXLGUTEZ-DJIMGWMZSA-N 1 3 364.534 2.821 20 0 FFADHO Cc1nc(C(C)C)oc1CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485722276 991998177 /nfs/dbraw/zinc/99/81/77/991998177.db2.gz GSNTXRQXLGUTEZ-DJIMGWMZSA-N 1 3 364.534 2.821 20 0 FFADHO CC(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001131564500 994404514 /nfs/dbraw/zinc/40/45/14/994404514.db2.gz MDGBSIVCEFQWTG-QUCCMNQESA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000809977879 994656237 /nfs/dbraw/zinc/65/62/37/994656237.db2.gz YVJNLNHURRAVSB-NRFANRHFSA-N 1 3 361.505 2.980 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc2)CC1 ZINC000810147994 994717052 /nfs/dbraw/zinc/71/70/52/994717052.db2.gz CBDLXOIYFTUBSD-QGZVFWFLSA-N 1 3 361.534 2.679 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc2)CC1 ZINC000810147994 994717058 /nfs/dbraw/zinc/71/70/58/994717058.db2.gz CBDLXOIYFTUBSD-QGZVFWFLSA-N 1 3 361.534 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082559361 994934873 /nfs/dbraw/zinc/93/48/73/994934873.db2.gz CDFSQFFDLHVUQS-PJSAGSTRSA-N 1 3 367.896 2.756 20 0 FFADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000903457928 1015904618 /nfs/dbraw/zinc/90/46/18/1015904618.db2.gz JOMJMEKAMNVSFO-IBGZPJMESA-N 1 3 372.513 2.885 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082617522 995082292 /nfs/dbraw/zinc/08/22/92/995082292.db2.gz ZMFKTJYWZZJKKR-RDTXWAMCSA-N 1 3 363.452 2.530 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001086700142 995313319 /nfs/dbraw/zinc/31/33/19/995313319.db2.gz ZNBJMTRJBOJJSN-QKPAOTATSA-N 1 3 365.468 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001086700142 995313325 /nfs/dbraw/zinc/31/33/25/995313325.db2.gz ZNBJMTRJBOJJSN-QKPAOTATSA-N 1 3 365.468 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001082742468 995400228 /nfs/dbraw/zinc/40/02/28/995400228.db2.gz GYQLMGUAKSRAFS-FRQCXROJSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC001082822063 995576636 /nfs/dbraw/zinc/57/66/36/995576636.db2.gz HHHIPLIJSRNPEP-DNVCBOLYSA-N 1 3 365.468 2.633 20 0 FFADHO C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)c2ccccc2O1 ZINC000813057930 995607535 /nfs/dbraw/zinc/60/75/35/995607535.db2.gz ASEJBWQFBBPSSB-QRWLVFNGSA-N 1 3 363.477 2.555 20 0 FFADHO Cc1cc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000813043387 995610288 /nfs/dbraw/zinc/61/02/88/995610288.db2.gz JWSOGABCBQIXLR-LJQANCHMSA-N 1 3 365.497 2.609 20 0 FFADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cccc(Cl)c1F ZINC001082863045 995670239 /nfs/dbraw/zinc/67/02/39/995670239.db2.gz HVLBHXWONRCQHR-CZUORRHYSA-N 1 3 365.880 2.511 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084338063 996467602 /nfs/dbraw/zinc/46/76/02/996467602.db2.gz CLMHKANLHFEDRC-QHAWAJNXSA-N 1 3 355.526 2.635 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084338063 996467603 /nfs/dbraw/zinc/46/76/03/996467603.db2.gz CLMHKANLHFEDRC-QHAWAJNXSA-N 1 3 355.526 2.635 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]21 ZINC001084338063 996467604 /nfs/dbraw/zinc/46/76/04/996467604.db2.gz CLMHKANLHFEDRC-QHAWAJNXSA-N 1 3 355.526 2.635 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001084338063 996467605 /nfs/dbraw/zinc/46/76/05/996467605.db2.gz CLMHKANLHFEDRC-QHAWAJNXSA-N 1 3 355.526 2.635 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc5cc[nH]c5c4)C[C@H]32)CC[N@@H+]1C ZINC001084355187 996482295 /nfs/dbraw/zinc/48/22/95/996482295.db2.gz JYVBWVSRZDZESK-OBZYLPMUSA-N 1 3 366.509 2.541 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc5cc[nH]c5c4)C[C@H]32)CC[N@H+]1C ZINC001084355187 996482297 /nfs/dbraw/zinc/48/22/97/996482297.db2.gz JYVBWVSRZDZESK-OBZYLPMUSA-N 1 3 366.509 2.541 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)[C@@H]3C2)cc1 ZINC001084422281 996522017 /nfs/dbraw/zinc/52/20/17/996522017.db2.gz SRJZLRLUFPTHMS-NJDAHSKKSA-N 1 3 355.526 2.902 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1 ZINC001084422281 996522023 /nfs/dbraw/zinc/52/20/23/996522023.db2.gz SRJZLRLUFPTHMS-NJDAHSKKSA-N 1 3 355.526 2.902 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001084406554 996549951 /nfs/dbraw/zinc/54/99/51/996549951.db2.gz SDXXOTGARZTZOW-VSKRKVRLSA-N 1 3 369.553 2.664 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001084406554 996549952 /nfs/dbraw/zinc/54/99/52/996549952.db2.gz SDXXOTGARZTZOW-VSKRKVRLSA-N 1 3 369.553 2.664 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CNCc4ccccc43)cc2)CC1 ZINC000827251220 1016049392 /nfs/dbraw/zinc/04/93/92/1016049392.db2.gz XCANFQOKQTYDRV-OAQYLSRUSA-N 1 3 364.493 2.654 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CNCc4ccccc43)cc2)CC1 ZINC000827251220 1016049401 /nfs/dbraw/zinc/04/94/01/1016049401.db2.gz XCANFQOKQTYDRV-OAQYLSRUSA-N 1 3 364.493 2.654 20 0 FFADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084603642 996708742 /nfs/dbraw/zinc/70/87/42/996708742.db2.gz CBSQOJPZGGQGIK-NZSAHSFTSA-N 1 3 351.510 2.676 20 0 FFADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084603642 996708745 /nfs/dbraw/zinc/70/87/45/996708745.db2.gz CBSQOJPZGGQGIK-NZSAHSFTSA-N 1 3 351.510 2.676 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c1 ZINC001084661667 996782328 /nfs/dbraw/zinc/78/23/28/996782328.db2.gz DFEASUOHBKXIGH-MAODMQOUSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)[C@@H]3C2)c1 ZINC001084661667 996782336 /nfs/dbraw/zinc/78/23/36/996782336.db2.gz DFEASUOHBKXIGH-MAODMQOUSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1Cc1ccccc1 ZINC000824820486 997101785 /nfs/dbraw/zinc/10/17/85/997101785.db2.gz ZSPCHLNCEXOTSI-KRWDZBQOSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1Cc1ccccc1 ZINC000824820486 997101791 /nfs/dbraw/zinc/10/17/91/997101791.db2.gz ZSPCHLNCEXOTSI-KRWDZBQOSA-N 1 3 356.514 2.607 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001084831518 997581978 /nfs/dbraw/zinc/58/19/78/997581978.db2.gz ONUXZFZLNMABHD-YPAWHYETSA-N 1 3 369.553 2.870 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001084831518 997581991 /nfs/dbraw/zinc/58/19/91/997581991.db2.gz ONUXZFZLNMABHD-YPAWHYETSA-N 1 3 369.553 2.870 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000844191990 997701376 /nfs/dbraw/zinc/70/13/76/997701376.db2.gz XOWVWWZIXMNIPO-VDGAXYAQSA-N 1 3 356.514 2.688 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844223719 997712955 /nfs/dbraw/zinc/71/29/55/997712955.db2.gz AJFXXARVNKIKCS-RBUKOAKNSA-N 1 3 370.541 2.937 20 0 FFADHO COc1ccc(CN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1OC(F)F ZINC000903723243 1016154504 /nfs/dbraw/zinc/15/45/04/1016154504.db2.gz GKOZHCSEODEECT-HNNXBMFYSA-N 1 3 370.440 2.887 20 0 FFADHO COc1cccc(CN(C[C@H]2CCCO2)C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903727304 1016157569 /nfs/dbraw/zinc/15/75/69/1016157569.db2.gz SBNHHICQARZFAO-NHCUHLMSSA-N 1 3 374.525 2.835 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]32)cs1 ZINC001084944047 998241700 /nfs/dbraw/zinc/24/17/00/998241700.db2.gz OXFYYQIUZWHXEJ-OWYHZJEWSA-N 1 3 361.555 2.820 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]32)cs1 ZINC001084944047 998241712 /nfs/dbraw/zinc/24/17/12/998241712.db2.gz OXFYYQIUZWHXEJ-OWYHZJEWSA-N 1 3 361.555 2.820 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001091039214 998276834 /nfs/dbraw/zinc/27/68/34/998276834.db2.gz STLOHZOOBJQPME-ZRPLWEQMSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001091039214 998276846 /nfs/dbraw/zinc/27/68/46/998276846.db2.gz STLOHZOOBJQPME-ZRPLWEQMSA-N 1 3 365.468 2.680 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1)N1CCCC1 ZINC001085004732 998650937 /nfs/dbraw/zinc/65/09/37/998650937.db2.gz FXDDLFVEDVWUGD-SJORKVTESA-N 1 3 369.500 2.829 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1)N1CCCC1 ZINC001085004732 998650940 /nfs/dbraw/zinc/65/09/40/998650940.db2.gz FXDDLFVEDVWUGD-SJORKVTESA-N 1 3 369.500 2.829 20 0 FFADHO C[N@@H+]1CCC[C@H](CC(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001273254883 998713752 /nfs/dbraw/zinc/71/37/52/998713752.db2.gz NOYSIPHRYVFKJK-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO C[N@H+]1CCC[C@H](CC(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001273254883 998713756 /nfs/dbraw/zinc/71/37/56/998713756.db2.gz NOYSIPHRYVFKJK-OWCLPIDISA-N 1 3 361.452 2.594 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085092852 998924058 /nfs/dbraw/zinc/92/40/58/998924058.db2.gz SEXAJFGTLJAHMZ-TWJHZCECSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085092852 998924063 /nfs/dbraw/zinc/92/40/63/998924063.db2.gz SEXAJFGTLJAHMZ-TWJHZCECSA-N 1 3 353.510 2.574 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(OCc3ccc(F)cc3)CC2)cnn1C ZINC000903903379 1016297265 /nfs/dbraw/zinc/29/72/65/1016297265.db2.gz ULUNPMINXMONSI-SFHVURJKSA-N 1 3 374.504 2.666 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CNCCOc2ccc3ccccc3c2)cnn1C ZINC000903922813 1016307775 /nfs/dbraw/zinc/30/77/75/1016307775.db2.gz FJXAXPZHUWVVHB-KRWDZBQOSA-N 1 3 352.482 2.668 20 0 FFADHO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@H](N(C)C)C3)CC2=O)cc1 ZINC001168910515 1000008128 /nfs/dbraw/zinc/00/81/28/1000008128.db2.gz XJGIQPKKDHYPML-FHWLQOOXSA-N 1 3 359.514 2.649 20 0 FFADHO COc1ccc(CN2CC[C@H](N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2=O)cc1 ZINC001168910515 1000008129 /nfs/dbraw/zinc/00/81/29/1000008129.db2.gz XJGIQPKKDHYPML-FHWLQOOXSA-N 1 3 359.514 2.649 20 0 FFADHO COc1ccc(CN2CC[C@@H](N(C)CCC[NH+]3CCCC3)CC2=O)cc1 ZINC001168938686 1000010292 /nfs/dbraw/zinc/01/02/92/1000010292.db2.gz DKUWJCNAWXRHRK-LJQANCHMSA-N 1 3 359.514 2.604 20 0 FFADHO CN(C)Cc1nc(CSCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cs1 ZINC001169098668 1000020577 /nfs/dbraw/zinc/02/05/77/1000020577.db2.gz KRZABMGOVRKNFT-RBVVOMGSSA-N 1 3 354.589 2.653 20 0 FFADHO CC1(C)C[C@H](Nc2cccc(=NN3C(=O)CCC3=O)[nH]2)C[C@@](C)(C[NH3+])C1 ZINC001169146718 1000027485 /nfs/dbraw/zinc/02/74/85/1000027485.db2.gz RXOKHYLWIJOLMS-ORAYPTAESA-N 1 3 359.474 2.513 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)c1 ZINC001169149747 1000027678 /nfs/dbraw/zinc/02/76/78/1000027678.db2.gz NMDVHQCUKXYCIJ-FQEVSTJZSA-N 1 3 355.526 2.950 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000846049751 1000197528 /nfs/dbraw/zinc/19/75/28/1000197528.db2.gz HHJUYCPFIPEMFJ-SFTDATJTSA-N 1 3 372.557 2.742 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000846049751 1000197529 /nfs/dbraw/zinc/19/75/29/1000197529.db2.gz HHJUYCPFIPEMFJ-SFTDATJTSA-N 1 3 372.557 2.742 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)CC1 ZINC001109650929 1000781028 /nfs/dbraw/zinc/78/10/28/1000781028.db2.gz ABOBGQBTRDGGFD-HOJAQTOUSA-N 1 3 371.525 2.519 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1ccccc1)N(C)C ZINC001109688207 1000850514 /nfs/dbraw/zinc/85/05/14/1000850514.db2.gz CEWQGEMHNXRTPH-IVAOSVALSA-N 1 3 357.542 2.927 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCc1ccccc1)N(C)C ZINC001109688207 1000850518 /nfs/dbraw/zinc/85/05/18/1000850518.db2.gz CEWQGEMHNXRTPH-IVAOSVALSA-N 1 3 357.542 2.927 20 0 FFADHO CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001109796956 1001012754 /nfs/dbraw/zinc/01/27/54/1001012754.db2.gz NSOOYDRNOVGSBM-ZRNYENFQSA-N 1 3 365.562 2.788 20 0 FFADHO CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001109796956 1001012761 /nfs/dbraw/zinc/01/27/61/1001012761.db2.gz NSOOYDRNOVGSBM-ZRNYENFQSA-N 1 3 365.562 2.788 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)C1CCC1 ZINC001091740659 1001186527 /nfs/dbraw/zinc/18/65/27/1001186527.db2.gz AWUABUJBFVSYPC-HDFNCHHUSA-N 1 3 367.537 2.964 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)C1CCC1 ZINC001091740659 1001186531 /nfs/dbraw/zinc/18/65/31/1001186531.db2.gz AWUABUJBFVSYPC-HDFNCHHUSA-N 1 3 367.537 2.964 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001091754602 1001231968 /nfs/dbraw/zinc/23/19/68/1001231968.db2.gz VLPFGKBEWLXFKI-HBFSDRIKSA-N 1 3 361.555 2.903 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001091754602 1001231970 /nfs/dbraw/zinc/23/19/70/1001231970.db2.gz VLPFGKBEWLXFKI-HBFSDRIKSA-N 1 3 361.555 2.903 20 0 FFADHO O=C(OCCN1CCCCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785708916 1001476704 /nfs/dbraw/zinc/47/67/04/1001476704.db2.gz KJDBWNYRDJMRDR-UHFFFAOYSA-N 1 3 360.498 2.534 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001112567833 1001498891 /nfs/dbraw/zinc/49/88/91/1001498891.db2.gz KNZOCJZEDWUVLX-ZVDOUQERSA-N 1 3 365.562 2.506 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cccs2)C1 ZINC001112567847 1001498944 /nfs/dbraw/zinc/49/89/44/1001498944.db2.gz LJYCPHBXLGXBSN-PXNSSMCTSA-N 1 3 363.571 2.851 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncc(C)s2)C1 ZINC001112567997 1001499593 /nfs/dbraw/zinc/49/95/93/1001499593.db2.gz RVWKGRRQPYEYOS-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2F)C1 ZINC001112586319 1001538171 /nfs/dbraw/zinc/53/81/71/1001538171.db2.gz TVPHSAPMEORDCQ-RXVVDRJESA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)N1CCCC1 ZINC001091910076 1002062323 /nfs/dbraw/zinc/06/23/23/1002062323.db2.gz HEPPOAVALNQEOG-KNQAVFIVSA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)N1CCCC1 ZINC001091910076 1002062334 /nfs/dbraw/zinc/06/23/34/1002062334.db2.gz HEPPOAVALNQEOG-KNQAVFIVSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CC1CCC(F)(F)CC1)C2 ZINC001092049716 1002319172 /nfs/dbraw/zinc/31/91/72/1002319172.db2.gz IJXSQEMTORQQGK-QAPCUYQASA-N 1 3 366.456 2.558 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC001092049716 1002319184 /nfs/dbraw/zinc/31/91/84/1002319184.db2.gz IJXSQEMTORQQGK-QAPCUYQASA-N 1 3 366.456 2.558 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC001092071065 1002366211 /nfs/dbraw/zinc/36/62/11/1002366211.db2.gz FQEKITJKZMPHJR-UZKOGDIHSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790747414 1002480328 /nfs/dbraw/zinc/48/03/28/1002480328.db2.gz DGZFKSDZFPSDCI-CTNGQTDRSA-N 1 3 359.558 2.988 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4ccccc4Cl)C[C@@]3(C)C2)C1 ZINC001092273746 1002578528 /nfs/dbraw/zinc/57/85/28/1002578528.db2.gz QMWZCLYCDHTSCR-HLIPFELVSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4ccccc4Cl)C[C@@]3(C)C2)C1 ZINC001092273746 1002578539 /nfs/dbraw/zinc/57/85/39/1002578539.db2.gz QMWZCLYCDHTSCR-HLIPFELVSA-N 1 3 361.917 2.572 20 0 FFADHO [NH3+]CCN(C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccnc1 ZINC001184405446 1002595323 /nfs/dbraw/zinc/59/53/23/1002595323.db2.gz LMNRFWZGHTVVLP-KRWDZBQOSA-N 1 3 372.900 2.939 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3C[N@H+](CCC4CC4)C[C@@]3(C)C2)c1 ZINC001092296245 1002715638 /nfs/dbraw/zinc/71/56/38/1002715638.db2.gz HMIYPUCRTUWBKO-IRLDBZIGSA-N 1 3 355.526 2.942 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3C[N@@H+](CCC4CC4)C[C@@]3(C)C2)c1 ZINC001092296245 1002715641 /nfs/dbraw/zinc/71/56/41/1002715641.db2.gz HMIYPUCRTUWBKO-IRLDBZIGSA-N 1 3 355.526 2.942 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC000775687972 1003682503 /nfs/dbraw/zinc/68/25/03/1003682503.db2.gz FCUMZEKROQVPDS-UZLBHIALSA-N 1 3 353.466 2.831 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CCN(C)C(=O)OC(C)(C)C ZINC001198843680 1004762484 /nfs/dbraw/zinc/76/24/84/1004762484.db2.gz ABVFQGDSQCGFPP-MSOLQXFVSA-N 1 3 371.566 2.799 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CCN(C)C(=O)OC(C)(C)C ZINC001198843680 1004762486 /nfs/dbraw/zinc/76/24/86/1004762486.db2.gz ABVFQGDSQCGFPP-MSOLQXFVSA-N 1 3 371.566 2.799 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1 ZINC001110617828 1005780131 /nfs/dbraw/zinc/78/01/31/1005780131.db2.gz JCEKHHRDNOJMNP-HCXYKTFWSA-N 1 3 351.510 2.888 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001110617828 1005780133 /nfs/dbraw/zinc/78/01/33/1005780133.db2.gz JCEKHHRDNOJMNP-HCXYKTFWSA-N 1 3 351.510 2.888 20 0 FFADHO COC(=O)/C=C/c1ccc(OCC[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000852105437 1005941419 /nfs/dbraw/zinc/94/14/19/1005941419.db2.gz JVMZBPKEIZSUHA-JLXBBBJOSA-N 1 3 358.482 2.669 20 0 FFADHO COC(=O)/C=C/c1ccc(OCC[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000852105437 1005941420 /nfs/dbraw/zinc/94/14/20/1005941420.db2.gz JVMZBPKEIZSUHA-JLXBBBJOSA-N 1 3 358.482 2.669 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001097085991 1017013652 /nfs/dbraw/zinc/01/36/52/1017013652.db2.gz SIYJTGCANOYAFW-MHTWAQMVSA-N 1 3 353.510 2.558 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097086034 1017014201 /nfs/dbraw/zinc/01/42/01/1017014201.db2.gz UIEWQGJKOBVMKF-NCYKPQTJSA-N 1 3 353.510 2.558 20 0 FFADHO CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C)CC1 ZINC000075763255 1006325896 /nfs/dbraw/zinc/32/58/96/1006325896.db2.gz JIPXMZRNTHFFJI-JOCHJYFZSA-N 1 3 358.574 2.513 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001188107059 1006414150 /nfs/dbraw/zinc/41/41/50/1006414150.db2.gz GCGTVBHCBUFAHQ-GBESFXJTSA-N 1 3 351.510 2.699 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001188107059 1006414158 /nfs/dbraw/zinc/41/41/58/1006414158.db2.gz GCGTVBHCBUFAHQ-GBESFXJTSA-N 1 3 351.510 2.699 20 0 FFADHO c1cc(C[NH+]2CCCC2)cc(-c2noc([C@H]3CN4CCC[C@@H]4CO3)n2)c1 ZINC000923869121 1017059343 /nfs/dbraw/zinc/05/93/43/1017059343.db2.gz YBDCOXDIBASPDI-QZTJIDSGSA-N 1 3 354.454 2.868 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC12CC(C1)CN2 ZINC000854230674 1006732625 /nfs/dbraw/zinc/73/26/25/1006732625.db2.gz WDGHZVXXKKAQRQ-IZINQKCZSA-N 1 3 355.482 2.573 20 0 FFADHO CCc1ncc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000883341836 1006758042 /nfs/dbraw/zinc/75/80/42/1006758042.db2.gz AXZSWNQDNSTTPH-UHFFFAOYSA-N 1 3 354.498 2.546 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110683056 1006795543 /nfs/dbraw/zinc/79/55/43/1006795543.db2.gz OMNAGKOTZYITPK-NMLBUPMWSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110683056 1006795555 /nfs/dbraw/zinc/79/55/55/1006795555.db2.gz OMNAGKOTZYITPK-NMLBUPMWSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001188985223 1006833463 /nfs/dbraw/zinc/83/34/63/1006833463.db2.gz ATVMPMIKGJWZIT-LEWJYISDSA-N 1 3 355.526 2.939 20 0 FFADHO Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000855346325 1007295553 /nfs/dbraw/zinc/29/55/53/1007295553.db2.gz WYDDTQDRWIAXEU-SFHVURJKSA-N 1 3 360.546 2.597 20 0 FFADHO Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000855346325 1007295566 /nfs/dbraw/zinc/29/55/66/1007295566.db2.gz WYDDTQDRWIAXEU-SFHVURJKSA-N 1 3 360.546 2.597 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\Sc1cc(F)ccc1F ZINC000855346689 1007296112 /nfs/dbraw/zinc/29/61/12/1007296112.db2.gz JDJPSSMKIRZRMT-MSKHEQNASA-N 1 3 371.497 2.959 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\Sc1cc(F)ccc1F ZINC000855346689 1007296121 /nfs/dbraw/zinc/29/61/21/1007296121.db2.gz JDJPSSMKIRZRMT-MSKHEQNASA-N 1 3 371.497 2.959 20 0 FFADHO C[C@H](CCCCNC/C(Cl)=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861939 1007544565 /nfs/dbraw/zinc/54/45/65/1007544565.db2.gz IMQSLHCWIFMBCS-YALAFYGHSA-N 1 3 350.334 2.910 20 0 FFADHO C[C@H](CCCCNC/C(Cl)=C/Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861939 1007544577 /nfs/dbraw/zinc/54/45/77/1007544577.db2.gz IMQSLHCWIFMBCS-YALAFYGHSA-N 1 3 350.334 2.910 20 0 FFADHO C[NH+](C)C1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000817568589 1007651661 /nfs/dbraw/zinc/65/16/61/1007651661.db2.gz XLDZHVSJTKTJTB-UHFFFAOYSA-N 1 3 374.598 2.988 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@](O)(CNCCC[NH+]2CCCCC2)CC1 ZINC000818161455 1007873495 /nfs/dbraw/zinc/87/34/95/1007873495.db2.gz USIQZNMLDARUJC-HXUWFJFHSA-N 1 3 369.550 2.604 20 0 FFADHO Cc1nccn1CCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603591 1007912588 /nfs/dbraw/zinc/91/25/88/1007912588.db2.gz LXPBLVGXZBZFOL-NRFANRHFSA-N 1 3 371.529 2.970 20 0 FFADHO Cc1nccn1CCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603591 1007912591 /nfs/dbraw/zinc/91/25/91/1007912591.db2.gz LXPBLVGXZBZFOL-NRFANRHFSA-N 1 3 371.529 2.970 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001159786363 1008240394 /nfs/dbraw/zinc/24/03/94/1008240394.db2.gz YRXNHKIXVVUNFD-VIFPVBQESA-N 1 3 350.200 2.599 20 0 FFADHO CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1)c1cc[nH+]cc1 ZINC001110746448 1008357071 /nfs/dbraw/zinc/35/70/71/1008357071.db2.gz NPDDQORICAFBKK-NJYVYQBISA-N 1 3 364.493 2.830 20 0 FFADHO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000885992237 1008515212 /nfs/dbraw/zinc/51/52/12/1008515212.db2.gz DBMGHDZBKIUCQT-RTWAWAEBSA-N 1 3 373.541 2.950 20 0 FFADHO CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CCN(CCc2ccccn2)CC1 ZINC001136566070 1008554346 /nfs/dbraw/zinc/55/43/46/1008554346.db2.gz VIGDBKDLJNLIIS-RXVVDRJESA-N 1 3 372.557 2.667 20 0 FFADHO C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H](C)N1CCOCC1 ZINC000886524070 1008717588 /nfs/dbraw/zinc/71/75/88/1008717588.db2.gz BULIFUGQTBZJKW-FQFSJJOFSA-N 1 3 357.542 2.738 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(-c3ccccn3)n[nH]2)[C@H](C)C1 ZINC001177844746 1008766236 /nfs/dbraw/zinc/76/62/36/1008766236.db2.gz UYFKEEOUFFOHFM-AEFFLSMTSA-N 1 3 357.502 2.698 20 0 FFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)N1CCc2ccccc2C1 ZINC000887134636 1009045243 /nfs/dbraw/zinc/04/52/43/1009045243.db2.gz MWRZAJBFNZMXHL-SFHVURJKSA-N 1 3 364.493 2.567 20 0 FFADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCC(C)(N3CCOCC3)CC2)cn1 ZINC001206697565 1032394279 /nfs/dbraw/zinc/39/42/79/1032394279.db2.gz YGOBBIBUVDQZCN-JJBAYQRUSA-N 1 3 360.546 2.754 20 0 FFADHO CC[N@H+](CCCC1CCN(Cc2ccnn2C)CC1)Cc1ccnn1C ZINC000130445676 1009337904 /nfs/dbraw/zinc/33/79/04/1009337904.db2.gz CCBMPYGQOKCOSI-UHFFFAOYSA-N 1 3 358.534 2.668 20 0 FFADHO CC[N@@H+](CCCC1CCN(Cc2ccnn2C)CC1)Cc1ccnn1C ZINC000130445676 1009337922 /nfs/dbraw/zinc/33/79/22/1009337922.db2.gz CCBMPYGQOKCOSI-UHFFFAOYSA-N 1 3 358.534 2.668 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000152114020 1009755149 /nfs/dbraw/zinc/75/51/49/1009755149.db2.gz NUTLACSMACYKTQ-KRWDZBQOSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@H](CC[NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)N1CCCCC1 ZINC000862322675 1009791528 /nfs/dbraw/zinc/79/15/28/1009791528.db2.gz KSGQNRFLQWDALW-FGTMMUONSA-N 1 3 369.550 2.865 20 0 FFADHO Cc1oncc1CN1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093225747 1010169518 /nfs/dbraw/zinc/16/95/18/1010169518.db2.gz RFQXUPTYCXOUIU-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCC(C)(C)O3)CC2)CC1 ZINC000890127295 1010275529 /nfs/dbraw/zinc/27/55/29/1010275529.db2.gz LTGXOOQFXYPLCP-LJQANCHMSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCC[N@H+](C)CCC(=O)N1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC001181864054 1010285591 /nfs/dbraw/zinc/28/55/91/1010285591.db2.gz YIFQLCOYYUAPIN-UHFFFAOYSA-N 1 3 363.550 2.647 20 0 FFADHO CCCCC[N@@H+](C)CCC(=O)N1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC001181864054 1010285598 /nfs/dbraw/zinc/28/55/98/1010285598.db2.gz YIFQLCOYYUAPIN-UHFFFAOYSA-N 1 3 363.550 2.647 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cccc(Cl)c1F ZINC001093673735 1010456399 /nfs/dbraw/zinc/45/63/99/1010456399.db2.gz VUMXUEQISOKTAJ-FRFSOERESA-N 1 3 367.896 2.757 20 0 FFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093822152 1010594361 /nfs/dbraw/zinc/59/43/61/1010594361.db2.gz LRGVCFOJWPTLKN-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@H](C)C1)N(C)C ZINC001093839252 1010609633 /nfs/dbraw/zinc/60/96/33/1010609633.db2.gz GOKBOIDACULVTR-OGWOLHLISA-N 1 3 367.484 2.735 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000866666867 1011034852 /nfs/dbraw/zinc/03/48/52/1011034852.db2.gz WZIVZHNHMZJVMX-HMXCVIKNSA-N 1 3 373.541 2.955 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2 ZINC001094430619 1011114843 /nfs/dbraw/zinc/11/48/43/1011114843.db2.gz SGOYNSWKAKXXSN-KCZVDYSFSA-N 1 3 370.541 2.817 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2 ZINC001094430619 1011114847 /nfs/dbraw/zinc/11/48/47/1011114847.db2.gz SGOYNSWKAKXXSN-KCZVDYSFSA-N 1 3 370.541 2.817 20 0 FFADHO CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)N1CCOCC1 ZINC000716628199 1011217787 /nfs/dbraw/zinc/21/77/87/1011217787.db2.gz VNGOBWGZDGQOTF-HBMCJLEFSA-N 1 3 357.542 2.740 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645204094 1011381726 /nfs/dbraw/zinc/38/17/26/1011381726.db2.gz XUKOTQWWUOJKAK-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645204094 1011381734 /nfs/dbraw/zinc/38/17/34/1011381734.db2.gz XUKOTQWWUOJKAK-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO CN1C(C)(C)CC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC001171623772 1011408619 /nfs/dbraw/zinc/40/86/19/1011408619.db2.gz FVAZMYZZUDFKRP-HOTGVXAUSA-N 1 3 369.550 2.598 20 0 FFADHO C[NH+]1C(C)(C)CC(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC001171623772 1011408629 /nfs/dbraw/zinc/40/86/29/1011408629.db2.gz FVAZMYZZUDFKRP-HOTGVXAUSA-N 1 3 369.550 2.598 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001274396563 1011423035 /nfs/dbraw/zinc/42/30/35/1011423035.db2.gz HKQHMJSSCYKTJA-ARFHVFGLSA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001274396563 1011423040 /nfs/dbraw/zinc/42/30/40/1011423040.db2.gz HKQHMJSSCYKTJA-ARFHVFGLSA-N 1 3 361.452 2.592 20 0 FFADHO COc1ccnc(O[C@@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171640954 1011423537 /nfs/dbraw/zinc/42/35/37/1011423537.db2.gz KNMOCELDJAEACB-MRXNPFEDSA-N 1 3 362.518 2.980 20 0 FFADHO COc1ccnc(O[C@@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171640954 1011423541 /nfs/dbraw/zinc/42/35/41/1011423541.db2.gz KNMOCELDJAEACB-MRXNPFEDSA-N 1 3 362.518 2.980 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCC(C)(N3CCOCC3)CC2)CN1Cc1ccccc1 ZINC001171758712 1011454368 /nfs/dbraw/zinc/45/43/68/1011454368.db2.gz AJXGHCYBLHPIPM-FPOVZHCZSA-N 1 3 357.542 2.836 20 0 FFADHO O=C(N1C[C@H]([NH2+]CCCN2CCCCC2)Cc2ccccc21)C(F)(F)F ZINC001171833589 1011496590 /nfs/dbraw/zinc/49/65/90/1011496590.db2.gz IFFUVSPNOINDRU-MRXNPFEDSA-N 1 3 369.431 2.972 20 0 FFADHO O=C(N1C[C@@H]([NH2+]CCCN2CCCCC2)Cc2ccccc21)C(F)(F)F ZINC001171833587 1011496711 /nfs/dbraw/zinc/49/67/11/1011496711.db2.gz IFFUVSPNOINDRU-INIZCTEOSA-N 1 3 369.431 2.972 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CN(Cc3ccc(F)cc3)CCO1)C2 ZINC001172108509 1011640777 /nfs/dbraw/zinc/64/07/77/1011640777.db2.gz XAQMTQUHOOVVHX-PLACYPQZSA-N 1 3 361.505 2.631 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CN(Cc3ccc(F)cc3)CCO1)C2 ZINC001172108509 1011640786 /nfs/dbraw/zinc/64/07/86/1011640786.db2.gz XAQMTQUHOOVVHX-PLACYPQZSA-N 1 3 361.505 2.631 20 0 FFADHO COCCCN1CCC([N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001172250681 1011724905 /nfs/dbraw/zinc/72/49/05/1011724905.db2.gz FBKYRZDPCBSCIR-HDICACEKSA-N 1 3 363.571 2.613 20 0 FFADHO COCCCN1CCC([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001172250681 1011724914 /nfs/dbraw/zinc/72/49/14/1011724914.db2.gz FBKYRZDPCBSCIR-HDICACEKSA-N 1 3 363.571 2.613 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000646256301 1011819209 /nfs/dbraw/zinc/81/92/09/1011819209.db2.gz ZTSXZBQRCJQDGN-MOPGFXCFSA-N 1 3 367.497 2.577 20 0 FFADHO CCCN(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000646266187 1011824600 /nfs/dbraw/zinc/82/46/00/1011824600.db2.gz VQNPOBJAIFCLOI-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO CCCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000646363699 1011877168 /nfs/dbraw/zinc/87/71/68/1011877168.db2.gz YMQFNJURXPTRBB-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO CCCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000646363699 1011877179 /nfs/dbraw/zinc/87/71/79/1011877179.db2.gz YMQFNJURXPTRBB-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001172628772 1011902105 /nfs/dbraw/zinc/90/21/05/1011902105.db2.gz YKBQBXJOPIBCBT-HBFSDRIKSA-N 1 3 352.519 2.541 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001172628772 1011902116 /nfs/dbraw/zinc/90/21/16/1011902116.db2.gz YKBQBXJOPIBCBT-HBFSDRIKSA-N 1 3 352.519 2.541 20 0 FFADHO CCCC[C@H]1C[C@@H](N2CCN(CC[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172630424 1011906049 /nfs/dbraw/zinc/90/60/49/1011906049.db2.gz CMXZMVZGKFSXMW-ROUUACIJSA-N 1 3 368.566 2.521 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3c(F)cccc3Cl)CC2)C1=O ZINC001275207528 1012080779 /nfs/dbraw/zinc/08/07/79/1012080779.db2.gz SRUVCRHXMSDXPF-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO CC1CCN(CCC[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001172882040 1012083528 /nfs/dbraw/zinc/08/35/28/1012083528.db2.gz BESWIFNATNJRAE-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO CCCN1C[C@H]2C[NH+](C3CCN(C(=O)c4ccc(F)cc4)CC3)C[C@@H]2C1 ZINC001173004714 1012174897 /nfs/dbraw/zinc/17/48/97/1012174897.db2.gz FCEUADZAMGCKAE-ROUUACIJSA-N 1 3 359.489 2.704 20 0 FFADHO CC[NH+](CC)C1CCC(N2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC001173113599 1012261642 /nfs/dbraw/zinc/26/16/42/1012261642.db2.gz WMCRZRFEDBSQKY-UHFFFAOYSA-N 1 3 351.926 2.905 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CCc4ncsc4C3)c2)CC1 ZINC001173126384 1012262572 /nfs/dbraw/zinc/26/25/72/1012262572.db2.gz NRBQXWQWBLJJFL-SFHVURJKSA-N 1 3 356.539 2.538 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)c1 ZINC001275331844 1012315680 /nfs/dbraw/zinc/31/56/80/1012315680.db2.gz AHYCFXWOZDTPQE-NRFANRHFSA-N 1 3 361.505 2.900 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CC[C@@]2(C1)c1ccccc1N(CC(F)F)C2=O ZINC001275511722 1012565667 /nfs/dbraw/zinc/56/56/67/1012565667.db2.gz NJGAMMOEFUCTIC-HXUWFJFHSA-N 1 3 365.468 2.830 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CCC34CC(C3)C[NH2+]4)c(C)c2)CC1 ZINC000870859612 1012609051 /nfs/dbraw/zinc/60/90/51/1012609051.db2.gz VHKSNZBOPKARGJ-UHFFFAOYSA-N 1 3 356.514 2.608 20 0 FFADHO CC[C@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1Cc1ccccc1 ZINC000647989962 1012658883 /nfs/dbraw/zinc/65/88/83/1012658883.db2.gz KCZRKQWFNXUIKH-VABKMULXSA-N 1 3 367.537 2.514 20 0 FFADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)C1 ZINC001173620266 1012778096 /nfs/dbraw/zinc/77/80/96/1012778096.db2.gz FXJWUQWRZWSKSA-RXVVDRJESA-N 1 3 373.541 2.646 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3ccc(F)cc3F)CC2)C1=O ZINC001275663887 1012800771 /nfs/dbraw/zinc/80/07/71/1012800771.db2.gz WSRZRLIFTXLLAI-HXUWFJFHSA-N 1 3 365.468 2.731 20 0 FFADHO C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924618559 1017378511 /nfs/dbraw/zinc/37/85/11/1017378511.db2.gz NEXHTUHPPMXXCZ-QGZVFWFLSA-N 1 3 354.498 2.831 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000924662963 1017406345 /nfs/dbraw/zinc/40/63/45/1017406345.db2.gz SLEOHOJCWZKITQ-QHCPKHFHSA-N 1 3 366.553 2.853 20 0 FFADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451247 1017591808 /nfs/dbraw/zinc/59/18/08/1017591808.db2.gz UOMAYNUUDJJCML-AQNXPRMDSA-N 1 3 359.514 2.510 20 0 FFADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451247 1017591820 /nfs/dbraw/zinc/59/18/20/1017591820.db2.gz UOMAYNUUDJJCML-AQNXPRMDSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@H]([NH3+])[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000925484117 1017765807 /nfs/dbraw/zinc/76/58/07/1017765807.db2.gz CJSWORTYGGKQOU-AVRDEDQJSA-N 1 3 352.526 2.612 20 0 FFADHO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H]3[C@@H]4CCCN[C@@H]4C3(C)C)C2)c1 ZINC000925552111 1017782956 /nfs/dbraw/zinc/78/29/56/1017782956.db2.gz IYYMPZJAYWKMEA-PSMQTCRGSA-N 1 3 373.541 2.896 20 0 FFADHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000925812945 1017858948 /nfs/dbraw/zinc/85/89/48/1017858948.db2.gz DMXYWONXDBHGIZ-OAHLLOKOSA-N 1 3 366.465 2.789 20 0 FFADHO Oc1cccc2c1CCC[C@H]2NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817874 1017861711 /nfs/dbraw/zinc/86/17/11/1017861711.db2.gz SHCAOYGZMUJDTN-OAQYLSRUSA-N 1 3 351.494 2.965 20 0 FFADHO Cc1cc(C)c2c(c1)[C@@H](NC[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCCO2 ZINC000925853726 1017874410 /nfs/dbraw/zinc/87/44/10/1017874410.db2.gz QPBKBAFIPSXZEO-AEFFLSMTSA-N 1 3 358.482 2.792 20 0 FFADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000926136208 1017980396 /nfs/dbraw/zinc/98/03/96/1017980396.db2.gz HTZFGXWOFMMWMI-OBJCFNGXSA-N 1 3 355.526 2.934 20 0 FFADHO Cc1cc(CN2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)ccn1 ZINC001137412393 1017989574 /nfs/dbraw/zinc/98/95/74/1017989574.db2.gz YLUHRYJRACNAKQ-YPAWHYETSA-N 1 3 373.541 2.870 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)C1 ZINC001097852705 1018022455 /nfs/dbraw/zinc/02/24/55/1018022455.db2.gz DMWSSIRZRAKQPH-WWNBULGVSA-N 1 3 351.510 2.721 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CC2)C1 ZINC001097852705 1018022470 /nfs/dbraw/zinc/02/24/70/1018022470.db2.gz DMWSSIRZRAKQPH-WWNBULGVSA-N 1 3 351.510 2.721 20 0 FFADHO O=C([C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCF)CC1 ZINC001052992440 1018151332 /nfs/dbraw/zinc/15/13/32/1018151332.db2.gz JRHDIPCTHQEANZ-ZGXWSNOMSA-N 1 3 363.521 2.532 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccnn1CC1CCC1)C2 ZINC000926877175 1018278041 /nfs/dbraw/zinc/27/80/41/1018278041.db2.gz AKHAPQIRZVQGHY-NXUBFONISA-N 1 3 360.546 2.814 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccnn1CC1CCC1)C2 ZINC000926877175 1018278046 /nfs/dbraw/zinc/27/80/46/1018278046.db2.gz AKHAPQIRZVQGHY-NXUBFONISA-N 1 3 360.546 2.814 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4C[C@@H]5COC[C@@H]5O4)[C@H]3C2)cc1 ZINC000926946139 1018302360 /nfs/dbraw/zinc/30/23/60/1018302360.db2.gz DKMOZFQKKJLTBZ-ZCPXKWAGSA-N 1 3 356.510 2.681 20 0 FFADHO CCC(CC)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)O2 ZINC001053601508 1018380151 /nfs/dbraw/zinc/38/01/51/1018380151.db2.gz KUXOGBDLXDMKJI-CEXWTWQISA-N 1 3 365.562 2.503 20 0 FFADHO CCC(CC)CN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)O2 ZINC001053601508 1018380159 /nfs/dbraw/zinc/38/01/59/1018380159.db2.gz KUXOGBDLXDMKJI-CEXWTWQISA-N 1 3 365.562 2.503 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000681568540 1018534736 /nfs/dbraw/zinc/53/47/36/1018534736.db2.gz VSUXAHIYQUIYLY-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@H](c1ccc2c(c1)CCC2)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981196 1019840386 /nfs/dbraw/zinc/84/03/86/1019840386.db2.gz LJZBCRATXXVLAY-DOVSJBTNSA-N 1 3 355.526 2.910 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3cnccc3C)CC2)CC[N@@H+]1C ZINC001045441217 1019967848 /nfs/dbraw/zinc/96/78/48/1019967848.db2.gz YHXXIGOJUSQDBF-RBUKOAKNSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3cnccc3C)CC2)CC[N@H+]1C ZINC001045441217 1019967860 /nfs/dbraw/zinc/96/78/60/1019967860.db2.gz YHXXIGOJUSQDBF-RBUKOAKNSA-N 1 3 358.530 2.591 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@H]2CC[NH2+]C[C@@H]2F)O1 ZINC001217794960 1032871144 /nfs/dbraw/zinc/87/11/44/1032871144.db2.gz PKNTVAKOYVFYJP-CMKODMSKSA-N 1 3 350.478 2.773 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000725898852 1020367636 /nfs/dbraw/zinc/36/76/36/1020367636.db2.gz YGLVOEPEESZOLX-UXHICEINSA-N 1 3 359.514 2.512 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000725898852 1020367645 /nfs/dbraw/zinc/36/76/45/1020367645.db2.gz YGLVOEPEESZOLX-UXHICEINSA-N 1 3 359.514 2.512 20 0 FFADHO CN1CCC(NC(=S)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000800823009 1020572183 /nfs/dbraw/zinc/57/21/83/1020572183.db2.gz QZDOSEMOGARBAH-IBGZPJMESA-N 1 3 374.598 2.845 20 0 FFADHO CN1CCC(NC(=S)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000800823009 1020572187 /nfs/dbraw/zinc/57/21/87/1020572187.db2.gz QZDOSEMOGARBAH-IBGZPJMESA-N 1 3 374.598 2.845 20 0 FFADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(NC2=NCCC2)cc1 ZINC000900760310 1020633415 /nfs/dbraw/zinc/63/34/15/1020633415.db2.gz UWROTFPWYRFCLZ-INIZCTEOSA-N 1 3 370.497 2.522 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc(C)ccc3F)[C@@H]2C)CC[N@@H+]1C ZINC001074663132 1020662883 /nfs/dbraw/zinc/66/28/83/1020662883.db2.gz JHAARQMLENWAPC-LWCVALJOSA-N 1 3 361.505 2.943 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc(C)ccc3F)[C@@H]2C)CC[N@H+]1C ZINC001074663132 1020662890 /nfs/dbraw/zinc/66/28/90/1020662890.db2.gz JHAARQMLENWAPC-LWCVALJOSA-N 1 3 361.505 2.943 20 0 FFADHO CC[C@@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000903340667 1020796110 /nfs/dbraw/zinc/79/61/10/1020796110.db2.gz XTEFIXNSSXSDIY-CMOCDZPBSA-N 1 3 357.542 2.740 20 0 FFADHO CCO[C@H]1CCN(Cc2cc(C[N@@H+]3CC[C@H](OCC)C3)cc(OC)c2)C1 ZINC000932975111 1020935160 /nfs/dbraw/zinc/93/51/60/1020935160.db2.gz YKUOUILTPIQKQS-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO CCO[C@H]1CCN(Cc2cc(C[N@H+]3CC[C@H](OCC)C3)cc(OC)c2)C1 ZINC000932975111 1020935169 /nfs/dbraw/zinc/93/51/69/1020935169.db2.gz YKUOUILTPIQKQS-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C(C)(C)CN1Cc1ccccc1 ZINC001149079596 1022107125 /nfs/dbraw/zinc/10/71/25/1022107125.db2.gz DTKRVMATHOULRV-UHFFFAOYSA-N 1 3 355.526 2.984 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145699104 1022124238 /nfs/dbraw/zinc/12/42/38/1022124238.db2.gz VEPWABMEUJIBIA-LJQANCHMSA-N 1 3 374.598 2.847 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145699104 1022124245 /nfs/dbraw/zinc/12/42/45/1022124245.db2.gz VEPWABMEUJIBIA-LJQANCHMSA-N 1 3 374.598 2.847 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C(F)(F)F ZINC001099306950 1022267847 /nfs/dbraw/zinc/26/78/47/1022267847.db2.gz AQJPUNJQCWENFD-IOASZLSFSA-N 1 3 367.431 2.586 20 0 FFADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595926 1033060242 /nfs/dbraw/zinc/06/02/42/1033060242.db2.gz LWJJPXSKDFMIQC-SFHVURJKSA-N 1 3 359.514 2.980 20 0 FFADHO CC(C)(C)OC(=O)NCCCC[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595926 1033060256 /nfs/dbraw/zinc/06/02/56/1033060256.db2.gz LWJJPXSKDFMIQC-SFHVURJKSA-N 1 3 359.514 2.980 20 0 FFADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595925 1033060907 /nfs/dbraw/zinc/06/09/07/1033060907.db2.gz LWJJPXSKDFMIQC-GOSISDBHSA-N 1 3 359.514 2.980 20 0 FFADHO CC(C)(C)OC(=O)NCCCC[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595925 1033060918 /nfs/dbraw/zinc/06/09/18/1033060918.db2.gz LWJJPXSKDFMIQC-GOSISDBHSA-N 1 3 359.514 2.980 20 0 FFADHO CC[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001020172281 1022575294 /nfs/dbraw/zinc/57/52/94/1022575294.db2.gz VNKGSDPUSWKBBR-IPPHREHXSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001020172281 1022575302 /nfs/dbraw/zinc/57/53/02/1022575302.db2.gz VNKGSDPUSWKBBR-IPPHREHXSA-N 1 3 365.468 2.993 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001099506172 1022645852 /nfs/dbraw/zinc/64/58/52/1022645852.db2.gz MAXCXXCMUCGAOD-UWJYYQICSA-N 1 3 370.472 2.818 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1cccc(OC)c1 ZINC001119466646 1022789249 /nfs/dbraw/zinc/78/92/49/1022789249.db2.gz BHXVUKNPUSTOOV-SLFFLAALSA-N 1 3 374.529 2.614 20 0 FFADHO Cc1ccncc1CN1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040211700 1022805498 /nfs/dbraw/zinc/80/54/98/1022805498.db2.gz XVFBCSGGVWJBAJ-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccncc1CN1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040211700 1022805514 /nfs/dbraw/zinc/80/55/14/1022805514.db2.gz XVFBCSGGVWJBAJ-UZKOGDIHSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)CC[N@@H+]1C ZINC001040211458 1022806494 /nfs/dbraw/zinc/80/64/94/1022806494.db2.gz VILBGKFGLMGWTH-TUNNFDKTSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)CC[N@H+]1C ZINC001040211458 1022806498 /nfs/dbraw/zinc/80/64/98/1022806498.db2.gz VILBGKFGLMGWTH-TUNNFDKTSA-N 1 3 370.541 2.626 20 0 FFADHO COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC001119611517 1022891440 /nfs/dbraw/zinc/89/14/40/1022891440.db2.gz USKMNJNYDJMCCS-CABCVRRESA-N 1 3 356.388 2.506 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001222656872 1033095009 /nfs/dbraw/zinc/09/50/09/1033095009.db2.gz YQYNDZVVURRKHF-QRVBRYPASA-N 1 3 353.526 2.922 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001222656872 1033095023 /nfs/dbraw/zinc/09/50/23/1033095023.db2.gz YQYNDZVVURRKHF-QRVBRYPASA-N 1 3 353.526 2.922 20 0 FFADHO CC(C)OCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001222689503 1033116805 /nfs/dbraw/zinc/11/68/05/1033116805.db2.gz SUTNYLMPWAXAOC-MOPGFXCFSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001222689503 1033116811 /nfs/dbraw/zinc/11/68/11/1033116811.db2.gz SUTNYLMPWAXAOC-MOPGFXCFSA-N 1 3 365.562 2.599 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC001120508447 1023343835 /nfs/dbraw/zinc/34/38/35/1023343835.db2.gz PRYWPRNATVZXJS-WBMJQRKESA-N 1 3 359.283 2.943 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC1CC2(CC([NH3+])C2)C1)c1ccsc1 ZINC001120571032 1023365937 /nfs/dbraw/zinc/36/59/37/1023365937.db2.gz XGHOFDREFHQMGZ-LMBQMVEXSA-N 1 3 350.532 2.700 20 0 FFADHO CN(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298601 1023672620 /nfs/dbraw/zinc/67/26/20/1023672620.db2.gz GUTVKAXCHMUJHH-SBHAEUEKSA-N 1 3 372.557 2.706 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCOC(C)C)[C@H]2C1 ZINC001222818026 1033167376 /nfs/dbraw/zinc/16/73/76/1033167376.db2.gz SGFYBXLXTWNPTE-AABGKKOBSA-N 1 3 365.562 2.599 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCOC(C)C)[C@H]2C1 ZINC001222818026 1033167382 /nfs/dbraw/zinc/16/73/82/1033167382.db2.gz SGFYBXLXTWNPTE-AABGKKOBSA-N 1 3 365.562 2.599 20 0 FFADHO O=C1CC2(CC[NH2+]CC2)Oc2cccc(O[C@H]3CNCc4ccccc43)c21 ZINC001218486875 1033176717 /nfs/dbraw/zinc/17/67/17/1033176717.db2.gz DRQGAQILCQPDCV-FQEVSTJZSA-N 1 3 364.445 2.997 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001121807873 1024047435 /nfs/dbraw/zinc/04/74/35/1024047435.db2.gz ADLRAWOUZKTZAH-SFHVURJKSA-N 1 3 374.577 2.952 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@H]2C1 ZINC001218509726 1033190530 /nfs/dbraw/zinc/19/05/30/1033190530.db2.gz HVCLZNOXKQDAIG-SLFFLAALSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@H]2C1 ZINC001218509726 1033190536 /nfs/dbraw/zinc/19/05/36/1033190536.db2.gz HVCLZNOXKQDAIG-SLFFLAALSA-N 1 3 365.562 2.600 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101400361 1024636836 /nfs/dbraw/zinc/63/68/36/1024636836.db2.gz SQNJRYYSSCZTJM-LMMKCTJWSA-N 1 3 371.516 2.934 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101400361 1024636837 /nfs/dbraw/zinc/63/68/37/1024636837.db2.gz SQNJRYYSSCZTJM-LMMKCTJWSA-N 1 3 371.516 2.934 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477402 1024845763 /nfs/dbraw/zinc/84/57/63/1024845763.db2.gz SEBWDBNPFZNIQA-KNQAVFIVSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477402 1024845780 /nfs/dbraw/zinc/84/57/80/1024845780.db2.gz SEBWDBNPFZNIQA-KNQAVFIVSA-N 1 3 357.542 2.924 20 0 FFADHO CCOCCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001223032740 1033255738 /nfs/dbraw/zinc/25/57/38/1033255738.db2.gz VDADXQOGSHGOKA-MJGOQNOKSA-N 1 3 365.562 2.599 20 0 FFADHO CCOCCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001223032740 1033255752 /nfs/dbraw/zinc/25/57/52/1033255752.db2.gz VDADXQOGSHGOKA-MJGOQNOKSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCCCO1)N1CCCC1 ZINC001095863403 1025125343 /nfs/dbraw/zinc/12/53/43/1025125343.db2.gz MKJIXKHSVGZTQF-XWSJACJDSA-N 1 3 363.546 2.542 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCCCO1)N1CCCC1 ZINC001095863403 1025125346 /nfs/dbraw/zinc/12/53/46/1025125346.db2.gz MKJIXKHSVGZTQF-XWSJACJDSA-N 1 3 363.546 2.542 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1C ZINC001102046072 1025349593 /nfs/dbraw/zinc/34/95/93/1025349593.db2.gz LCRLTBSYYXMMMG-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)cc1C ZINC001102046072 1025349605 /nfs/dbraw/zinc/34/96/05/1025349605.db2.gz LCRLTBSYYXMMMG-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046047 1025350372 /nfs/dbraw/zinc/35/03/72/1025350372.db2.gz JKKKSQWGQIWWAA-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046047 1025350388 /nfs/dbraw/zinc/35/03/88/1025350388.db2.gz JKKKSQWGQIWWAA-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1C)N(C)C ZINC001102070593 1025390901 /nfs/dbraw/zinc/39/09/01/1025390901.db2.gz OSOVWILDWCIQSF-OAGGEKHMSA-N 1 3 365.484 2.989 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C)N(C)C ZINC001102070593 1025390911 /nfs/dbraw/zinc/39/09/11/1025390911.db2.gz OSOVWILDWCIQSF-OAGGEKHMSA-N 1 3 365.484 2.989 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1C)N(C)C ZINC001102088544 1025412426 /nfs/dbraw/zinc/41/24/26/1025412426.db2.gz ZLWWTOGYQUOGRX-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C)N(C)C ZINC001102088544 1025412432 /nfs/dbraw/zinc/41/24/32/1025412432.db2.gz ZLWWTOGYQUOGRX-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC000637719710 1025546627 /nfs/dbraw/zinc/54/66/27/1025546627.db2.gz PXJMOQJJLSNJQZ-IHPCNDPISA-N 1 3 358.530 2.551 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000637719710 1025546632 /nfs/dbraw/zinc/54/66/32/1025546632.db2.gz PXJMOQJJLSNJQZ-IHPCNDPISA-N 1 3 358.530 2.551 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000245850929 1025560172 /nfs/dbraw/zinc/56/01/72/1025560172.db2.gz GCRJZCUQTCBOKK-XMTFNYHQSA-N 1 3 369.550 2.911 20 0 FFADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H](c1cccs1)N1CCCC1 ZINC000638050955 1025679813 /nfs/dbraw/zinc/67/98/13/1025679813.db2.gz ACTFMNARHMVTRA-LJQANCHMSA-N 1 3 369.534 2.890 20 0 FFADHO C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320401 1025739875 /nfs/dbraw/zinc/73/98/75/1025739875.db2.gz AUEYAVRJTVGKMU-IJEWVQPXSA-N 1 3 353.457 2.662 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366542 1025819493 /nfs/dbraw/zinc/81/94/93/1025819493.db2.gz IYMUBXYVOMJSNG-ZIFCJYIRSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366542 1025819517 /nfs/dbraw/zinc/81/95/17/1025819517.db2.gz IYMUBXYVOMJSNG-ZIFCJYIRSA-N 1 3 363.571 2.849 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1 ZINC001102370021 1025825515 /nfs/dbraw/zinc/82/55/15/1025825515.db2.gz ODWFRBDWKAGMQA-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1 ZINC001102370021 1025825536 /nfs/dbraw/zinc/82/55/36/1025825536.db2.gz ODWFRBDWKAGMQA-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]2C)C1 ZINC001102370118 1025827600 /nfs/dbraw/zinc/82/76/00/1025827600.db2.gz RKYVOGYZTJRHDL-KVFWPDNYSA-N 1 3 355.526 2.726 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]2C)C1 ZINC001102370118 1025827622 /nfs/dbraw/zinc/82/76/22/1025827622.db2.gz RKYVOGYZTJRHDL-KVFWPDNYSA-N 1 3 355.526 2.726 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000638403395 1025827776 /nfs/dbraw/zinc/82/77/76/1025827776.db2.gz BHAMOKDKCVADIW-FQEVSTJZSA-N 1 3 360.498 2.734 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638416433 1025833004 /nfs/dbraw/zinc/83/30/04/1025833004.db2.gz BAGAZUBDWQQBGI-TZIWHRDSSA-N 1 3 365.477 2.808 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638416433 1025833024 /nfs/dbraw/zinc/83/30/24/1025833024.db2.gz BAGAZUBDWQQBGI-TZIWHRDSSA-N 1 3 365.477 2.808 20 0 FFADHO CC(C)CC(=O)Nc1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638443664 1025843748 /nfs/dbraw/zinc/84/37/48/1025843748.db2.gz SCEGYICTLGGFHZ-UHFFFAOYSA-N 1 3 361.530 2.996 20 0 FFADHO Cc1ccncc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375457 1025845218 /nfs/dbraw/zinc/84/52/18/1025845218.db2.gz KOHLYTLXQYXZEA-IEBWSBKVSA-N 1 3 360.546 2.552 20 0 FFADHO Cc1ccncc1C[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375457 1025845234 /nfs/dbraw/zinc/84/52/34/1025845234.db2.gz KOHLYTLXQYXZEA-IEBWSBKVSA-N 1 3 360.546 2.552 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1C ZINC001102472363 1026038164 /nfs/dbraw/zinc/03/81/64/1026038164.db2.gz YLQCSFHCXBDHCA-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1C ZINC001102472363 1026038179 /nfs/dbraw/zinc/03/81/79/1026038179.db2.gz YLQCSFHCXBDHCA-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC001102473703 1026046724 /nfs/dbraw/zinc/04/67/24/1026046724.db2.gz LITOTUVATHAZJH-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC001102473703 1026046740 /nfs/dbraw/zinc/04/67/40/1026046740.db2.gz LITOTUVATHAZJH-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO c1ccc(C(CN2CC[C@@]3(CCOC3)C2)C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000639514221 1026341931 /nfs/dbraw/zinc/34/19/31/1026341931.db2.gz CVDKSGIJUWHDTM-DHIUTWEWSA-N 1 3 370.537 2.995 20 0 FFADHO c1ccc(C(CN2CC[C@@]3(CCOC3)C2)C[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000639514221 1026341943 /nfs/dbraw/zinc/34/19/43/1026341943.db2.gz CVDKSGIJUWHDTM-DHIUTWEWSA-N 1 3 370.537 2.995 20 0 FFADHO CCCn1nccc1NC(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000639589056 1026385640 /nfs/dbraw/zinc/38/56/40/1026385640.db2.gz JCPHOIQOTHMQSP-HKUYNNGSSA-N 1 3 369.513 2.732 20 0 FFADHO COc1cccc([C@H](C)[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1 ZINC001102601123 1026400059 /nfs/dbraw/zinc/40/00/59/1026400059.db2.gz MIBSLNYBHCMQFV-ZIFCJYIRSA-N 1 3 361.530 2.781 20 0 FFADHO COc1cccc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1 ZINC001102601123 1026400074 /nfs/dbraw/zinc/40/00/74/1026400074.db2.gz MIBSLNYBHCMQFV-ZIFCJYIRSA-N 1 3 361.530 2.781 20 0 FFADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)N1CCc2sccc2C1 ZINC000639682945 1026431846 /nfs/dbraw/zinc/43/18/46/1026431846.db2.gz MZAGYABKYHOKIT-UHFFFAOYSA-N 1 3 370.522 2.630 20 0 FFADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)N1CCc2sccc2C1 ZINC000639682945 1026431854 /nfs/dbraw/zinc/43/18/54/1026431854.db2.gz MZAGYABKYHOKIT-UHFFFAOYSA-N 1 3 370.522 2.630 20 0 FFADHO c1ccc(C(CN2CC[C@@H]3COC[C@@H]3C2)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000639862418 1026497289 /nfs/dbraw/zinc/49/72/89/1026497289.db2.gz KOPNNEOLRCHALF-SCPDWHHUSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc(C(CN2CC[C@@H]3COC[C@@H]3C2)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000639862418 1026497297 /nfs/dbraw/zinc/49/72/97/1026497297.db2.gz KOPNNEOLRCHALF-SCPDWHHUSA-N 1 3 370.537 2.707 20 0 FFADHO O=C(CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000838863290 1026521087 /nfs/dbraw/zinc/52/10/87/1026521087.db2.gz AOCVITVXJXYYNB-QFIPXVFZSA-N 1 3 355.526 2.987 20 0 FFADHO O=C(CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000838863290 1026521092 /nfs/dbraw/zinc/52/10/92/1026521092.db2.gz AOCVITVXJXYYNB-QFIPXVFZSA-N 1 3 355.526 2.987 20 0 FFADHO C[C@@H]([NH3+])CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000641505915 1027241438 /nfs/dbraw/zinc/24/14/38/1027241438.db2.gz OYGLYJCAUCUKPB-GOSISDBHSA-N 1 3 354.498 2.677 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434198 1027474980 /nfs/dbraw/zinc/47/49/80/1027474980.db2.gz UAEZUOSGCYRBBT-HLLBOEOZSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434198 1027474992 /nfs/dbraw/zinc/47/49/92/1027474992.db2.gz UAEZUOSGCYRBBT-HLLBOEOZSA-N 1 3 357.489 2.590 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001103436152 1027480751 /nfs/dbraw/zinc/48/07/51/1027480751.db2.gz MWXRHEQYEDVOFX-GPMSIDNRSA-N 1 3 363.571 2.973 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001103436152 1027480754 /nfs/dbraw/zinc/48/07/54/1027480754.db2.gz MWXRHEQYEDVOFX-GPMSIDNRSA-N 1 3 363.571 2.973 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001159785318 1027498537 /nfs/dbraw/zinc/49/85/37/1027498537.db2.gz OUKMDPHGKFFVEA-SNVBAGLBSA-N 1 3 350.200 2.599 20 0 FFADHO CN(Cc1ccc(NCc2ccccc2N2CC[NH2+]CC2)nc1)C1CC1 ZINC001160111789 1027597673 /nfs/dbraw/zinc/59/76/73/1027597673.db2.gz AINPRWDUOQCSOI-UHFFFAOYSA-N 1 3 351.498 2.698 20 0 FFADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001160161045 1027616979 /nfs/dbraw/zinc/61/69/79/1027616979.db2.gz UBDLADGADQVWEB-MSOLQXFVSA-N 1 3 365.468 2.696 20 0 FFADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC001160161045 1027616984 /nfs/dbraw/zinc/61/69/84/1027616984.db2.gz UBDLADGADQVWEB-MSOLQXFVSA-N 1 3 365.468 2.696 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001160348909 1027684660 /nfs/dbraw/zinc/68/46/60/1027684660.db2.gz HNUMRGQVCMAOSX-SJLPKXTDSA-N 1 3 370.522 2.923 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001160956709 1027946248 /nfs/dbraw/zinc/94/62/48/1027946248.db2.gz MHLPVNQYNPICLJ-SZMVWBNQSA-N 1 3 365.468 2.600 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC(F)(F)C1 ZINC001160970798 1027954519 /nfs/dbraw/zinc/95/45/19/1027954519.db2.gz CFCZYSGCTNNYSB-HOCLYGCPSA-N 1 3 371.859 2.747 20 0 FFADHO CN(C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161057884 1027992353 /nfs/dbraw/zinc/99/23/53/1027992353.db2.gz ILVFMKGJDSYJED-PWRODBHTSA-N 1 3 351.494 2.952 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1(C)C ZINC000249131048 1028009449 /nfs/dbraw/zinc/00/94/49/1028009449.db2.gz SHFDCOBLAFOTCC-DBXWQHBBSA-N 1 3 361.530 2.718 20 0 FFADHO CN(CCN(C)C(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1)Cc1ccccc1 ZINC001161161458 1028044690 /nfs/dbraw/zinc/04/46/90/1028044690.db2.gz UBRTVJIASFMPNK-NRFANRHFSA-N 1 3 357.473 2.676 20 0 FFADHO N[C@@H](C(=O)N1CCC(C2CC[NH2+]CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001161210265 1028068278 /nfs/dbraw/zinc/06/82/78/1028068278.db2.gz PDWHCMFYOIORHW-FQYNAJQUSA-N 1 3 359.558 2.768 20 0 FFADHO Cc1ccc(C(C)C)c(OCC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c1 ZINC001161444136 1028178075 /nfs/dbraw/zinc/17/80/75/1028178075.db2.gz CIFWBWRXWMOAMS-SFHVURJKSA-N 1 3 361.530 2.639 20 0 FFADHO CCOc1ccc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001161450097 1028180434 /nfs/dbraw/zinc/18/04/34/1028180434.db2.gz AQJRLWKQPMBFNF-QGZVFWFLSA-N 1 3 369.509 2.994 20 0 FFADHO CC1(C(=O)Nc2cnc3c(c2)CNCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000644101994 1028312255 /nfs/dbraw/zinc/31/22/55/1028312255.db2.gz MAQDLZTURMUZSK-UHFFFAOYSA-N 1 3 364.493 2.968 20 0 FFADHO F[C@@]1(CNc2nc(N3CCOCC3)cc3ccccc32)CCCC[NH2+]C1 ZINC001162580910 1028586738 /nfs/dbraw/zinc/58/67/38/1028586738.db2.gz WEEZSJMHSIGGMO-FQEVSTJZSA-N 1 3 358.461 2.965 20 0 FFADHO [NH3+]C1CCN(c2cccc(NC[C@H](O)c3cc4ccccc4o3)n2)CC1 ZINC001162700923 1028626225 /nfs/dbraw/zinc/62/62/25/1028626225.db2.gz MZIIORUMIZEAHE-INIZCTEOSA-N 1 3 352.438 2.901 20 0 FFADHO S=c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n[n-]1 ZINC001162931672 1028714011 /nfs/dbraw/zinc/71/40/11/1028714011.db2.gz ACJXUMVDWJZVSU-KRWDZBQOSA-N 1 3 369.538 2.679 20 0 FFADHO S=c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n[n-]1 ZINC001162931672 1028714023 /nfs/dbraw/zinc/71/40/23/1028714023.db2.gz ACJXUMVDWJZVSU-KRWDZBQOSA-N 1 3 369.538 2.679 20 0 FFADHO CCOC(=O)c1cc2ccccc2nc1NC(=N)NCC[NH+](CC)CC ZINC001163128129 1028813046 /nfs/dbraw/zinc/81/30/46/1028813046.db2.gz ACVYVAUMIHKEGJ-UHFFFAOYSA-N 1 3 357.458 2.690 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCc3ccc(-c4ncon4)cc3)n2)CC1 ZINC001156548410 1029243367 /nfs/dbraw/zinc/24/33/67/1029243367.db2.gz NFNICPYGVDNBEM-UHFFFAOYSA-N 1 3 350.426 2.671 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001111857897 1029629226 /nfs/dbraw/zinc/62/92/26/1029629226.db2.gz DJOIZEGLNAINJL-RXVVDRJESA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCOC(C)C)C2)N(CC)CC ZINC001111869976 1029649009 /nfs/dbraw/zinc/64/90/09/1029649009.db2.gz UIQPJIRYEZXPIU-ZVDOUQERSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCOC(C)C)C2)N(CC)CC ZINC001111869976 1029649012 /nfs/dbraw/zinc/64/90/12/1029649012.db2.gz UIQPJIRYEZXPIU-ZVDOUQERSA-N 1 3 367.578 2.893 20 0 FFADHO COc1cccc(N(c2ccc(CN3CCCC3)cn2)C2CC[NH2+]CC2)n1 ZINC001158061134 1029724462 /nfs/dbraw/zinc/72/44/62/1029724462.db2.gz XKMSOSISWHWAOL-UHFFFAOYSA-N 1 3 367.497 2.971 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2ncc3c(n2)CCNC3)CC1 ZINC001158147340 1029745033 /nfs/dbraw/zinc/74/50/33/1029745033.db2.gz YJNRVFPXENNTEQ-QAQDUYKDSA-N 1 3 355.461 2.538 20 0 FFADHO O=C(c1csc2c1CCNC2)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158263161 1029778013 /nfs/dbraw/zinc/77/80/13/1029778013.db2.gz YZOJFZCAASYTCP-CQSZACIVSA-N 1 3 373.444 2.683 20 0 FFADHO C[N@H+](CCCCNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000840837853 1029889737 /nfs/dbraw/zinc/88/97/37/1029889737.db2.gz WWUNFEDZOXOXOH-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO C[N@@H+](CCCCNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000840837853 1029889745 /nfs/dbraw/zinc/88/97/45/1029889745.db2.gz WWUNFEDZOXOXOH-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO CCOCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000783491138 1030121711 /nfs/dbraw/zinc/12/17/11/1030121711.db2.gz NWJAKUGDTDPDHX-WIYYLYMNSA-N 1 3 361.530 2.517 20 0 FFADHO CCOCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000783491138 1030121714 /nfs/dbraw/zinc/12/17/14/1030121714.db2.gz NWJAKUGDTDPDHX-WIYYLYMNSA-N 1 3 361.530 2.517 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1 ZINC001112353757 1030633449 /nfs/dbraw/zinc/63/34/49/1030633449.db2.gz ZHHCZRCYHOHLMY-YMJDHIGXSA-N 1 3 353.938 2.830 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699665294 1030708847 /nfs/dbraw/zinc/70/88/47/1030708847.db2.gz LMIYDWYKQHHJMG-MSOLQXFVSA-N 1 3 369.550 2.722 20 0 FFADHO CN(C)C(=O)[C@@H]1CC12CCN(Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204268604 1031197035 /nfs/dbraw/zinc/19/70/35/1031197035.db2.gz OCIBZDQDCLQVBZ-FQEVSTJZSA-N 1 3 373.541 2.707 20 0 FFADHO CCOC(=O)Nc1ccc2c(CN3CCC(C[NH3+])CC3)cc(=O)oc2c1 ZINC000843344904 1031337083 /nfs/dbraw/zinc/33/70/83/1031337083.db2.gz GIHOXZGRGPQZDR-UHFFFAOYSA-N 1 3 359.426 2.532 20 0 FFADHO Cc1nc[nH]c1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204590691 1031383935 /nfs/dbraw/zinc/38/39/35/1031383935.db2.gz JWKITTRSVJKYTK-LJQANCHMSA-N 1 3 354.498 2.974 20 0 FFADHO Cc1nc[nH]c1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204590691 1031383946 /nfs/dbraw/zinc/38/39/46/1031383946.db2.gz JWKITTRSVJKYTK-LJQANCHMSA-N 1 3 354.498 2.974 20 0 FFADHO CN1CCN(Cc2ccc(Nc3cnn(C4CC[NH+](C)CC4)c3)cc2)CC1 ZINC001204734655 1031421657 /nfs/dbraw/zinc/42/16/57/1031421657.db2.gz VBIVLAXCLATNNQ-UHFFFAOYSA-N 1 3 368.529 2.641 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC/C=C/Cl)C1 ZINC001205429085 1031738384 /nfs/dbraw/zinc/73/83/84/1031738384.db2.gz QEZQXLHWLSVJIO-MXDAGHGGSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCF)C1 ZINC001205434933 1031743936 /nfs/dbraw/zinc/74/39/36/1031743936.db2.gz VUNJUEBPVFQWRJ-AYOQOUSVSA-N 1 3 365.468 2.554 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CCC2)C1 ZINC001205452644 1031757557 /nfs/dbraw/zinc/75/75/57/1031757557.db2.gz LXQDSMNYKNGDOM-VQTJNVASSA-N 1 3 361.505 2.852 20 0 FFADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205673960 1031924971 /nfs/dbraw/zinc/92/49/71/1031924971.db2.gz WQDFHAJHHFESBT-NRFANRHFSA-N 1 3 350.466 2.701 20 0 FFADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205673960 1031924981 /nfs/dbraw/zinc/92/49/81/1031924981.db2.gz WQDFHAJHHFESBT-NRFANRHFSA-N 1 3 350.466 2.701 20 0 FFADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001205673960 1031924991 /nfs/dbraw/zinc/92/49/91/1031924991.db2.gz WQDFHAJHHFESBT-NRFANRHFSA-N 1 3 350.466 2.701 20 0 FFADHO CC(C)(C)OC[C@H](N)CC(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001218710005 1033296048 /nfs/dbraw/zinc/29/60/48/1033296048.db2.gz NKEVYQWUAURZJB-CQSZACIVSA-N 1 3 360.433 2.529 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223199874 1033331734 /nfs/dbraw/zinc/33/17/34/1033331734.db2.gz CESOFFGSTJFXDW-KURKYZTESA-N 1 3 353.526 2.922 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]3(CC)CCC[NH2+]C3)cc2)CC1 ZINC001218846076 1033372599 /nfs/dbraw/zinc/37/25/99/1033372599.db2.gz PRKVIADEXDKWIF-NRFANRHFSA-N 1 3 358.530 2.542 20 0 FFADHO COCCCOc1ccc(F)cc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218854269 1033378643 /nfs/dbraw/zinc/37/86/43/1033378643.db2.gz ULAXABLHNAXDFI-INIZCTEOSA-N 1 3 369.481 2.675 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001223830850 1033606678 /nfs/dbraw/zinc/60/66/78/1033606678.db2.gz LOYPZPPPICOKGW-UXHICEINSA-N 1 3 358.530 2.743 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001223830823 1033607521 /nfs/dbraw/zinc/60/75/21/1033607521.db2.gz LOYPZPPPICOKGW-PMACEKPBSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(C)c(F)c3)[C@H]2C1 ZINC001223846432 1033611876 /nfs/dbraw/zinc/61/18/76/1033611876.db2.gz JCSWXBIHYXSMKS-QUCCMNQESA-N 1 3 361.505 2.899 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(C)c(F)c3)[C@H]2C1 ZINC001223846432 1033611881 /nfs/dbraw/zinc/61/18/81/1033611881.db2.gz JCSWXBIHYXSMKS-QUCCMNQESA-N 1 3 361.505 2.899 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220062224 1033967500 /nfs/dbraw/zinc/96/75/00/1033967500.db2.gz QUANMEQZJNEOTQ-RHSMWYFYSA-N 1 3 371.447 2.956 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220062224 1033967510 /nfs/dbraw/zinc/96/75/10/1033967510.db2.gz QUANMEQZJNEOTQ-RHSMWYFYSA-N 1 3 371.447 2.956 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982267 1034490653 /nfs/dbraw/zinc/49/06/53/1034490653.db2.gz BDIFZQBBVXSLPO-FQEVSTJZSA-N 1 3 373.447 2.701 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](C)C[NH+]3CCCC3)C2)cc1 ZINC001221165004 1034584186 /nfs/dbraw/zinc/58/41/86/1034584186.db2.gz CDXOAKCZQQVSRT-AZUAARDMSA-N 1 3 358.530 2.600 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001226267494 1034601104 /nfs/dbraw/zinc/60/11/04/1034601104.db2.gz KGOFHHAARFLXBM-QZTJIDSGSA-N 1 3 353.551 2.695 20 0 FFADHO O=C(NC1(CC2CC2)CC1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001221214718 1034605266 /nfs/dbraw/zinc/60/52/66/1034605266.db2.gz ISORMUPRDFUDHF-NFBKMPQASA-N 1 3 367.537 2.937 20 0 FFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001221400080 1034714981 /nfs/dbraw/zinc/71/49/81/1034714981.db2.gz JOKOYACUCBDJMU-QFIPXVFZSA-N 1 3 363.505 2.673 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC001226613523 1034757579 /nfs/dbraw/zinc/75/75/79/1034757579.db2.gz JZKVCRPXZSOVLI-GUDVDZBRSA-N 1 3 353.551 2.695 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001226790897 1034843183 /nfs/dbraw/zinc/84/31/83/1034843183.db2.gz HLPWYJJJFQADPH-GUDVDZBRSA-N 1 3 365.562 2.693 20 0 FFADHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221587866 1034900786 /nfs/dbraw/zinc/90/07/86/1034900786.db2.gz LPCSMMNBSRHUBX-OKMMTOMJSA-N 1 3 353.526 2.945 20 0 FFADHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221587866 1034900793 /nfs/dbraw/zinc/90/07/93/1034900793.db2.gz LPCSMMNBSRHUBX-OKMMTOMJSA-N 1 3 353.526 2.945 20 0 FFADHO CCO[C@@H](C)COc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227163194 1034956462 /nfs/dbraw/zinc/95/64/62/1034956462.db2.gz BJGABVNAQGOGPU-INIZCTEOSA-N 1 3 351.535 2.675 20 0 FFADHO C[C@H]1COCC[C@@H]1Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165489 1034957857 /nfs/dbraw/zinc/95/78/57/1034957857.db2.gz SVFWZKPCMXAIES-JXFKEZNVSA-N 1 3 363.546 2.675 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnc(N)s1)CC2 ZINC001139227447 1035019731 /nfs/dbraw/zinc/01/97/31/1035019731.db2.gz NROMNWLXHKSPJE-QGZVFWFLSA-N 1 3 372.538 2.981 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cnc(N)s1)CC2 ZINC001139227447 1035019739 /nfs/dbraw/zinc/01/97/39/1035019739.db2.gz NROMNWLXHKSPJE-QGZVFWFLSA-N 1 3 372.538 2.981 20 0 FFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(Cc4ccc5c(c4)CCC5)C[C@H]32)CC1 ZINC001221771736 1035054259 /nfs/dbraw/zinc/05/42/59/1035054259.db2.gz FQBKSIHSDSRKCP-NHCUHLMSSA-N 1 3 367.537 2.550 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001221794813 1035075980 /nfs/dbraw/zinc/07/59/80/1035075980.db2.gz XYOUKDVIIZVOOL-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001221794813 1035075988 /nfs/dbraw/zinc/07/59/88/1035075988.db2.gz XYOUKDVIIZVOOL-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4ncccc4c3)C[C@H]21 ZINC001221919159 1035156704 /nfs/dbraw/zinc/15/67/04/1035156704.db2.gz BAXVFBQPKGPJDA-TZIWHRDSSA-N 1 3 366.509 2.609 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4ncccc4c3)C[C@H]21 ZINC001221919159 1035156708 /nfs/dbraw/zinc/15/67/08/1035156708.db2.gz BAXVFBQPKGPJDA-TZIWHRDSSA-N 1 3 366.509 2.609 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CCCOCC)C[C@H]21 ZINC001221933989 1035165955 /nfs/dbraw/zinc/16/59/55/1035165955.db2.gz WXXHNDYYXVBSGX-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CCCOCC)C[C@H]21 ZINC001221933989 1035165959 /nfs/dbraw/zinc/16/59/59/1035165959.db2.gz WXXHNDYYXVBSGX-HSALFYBXSA-N 1 3 365.562 2.600 20 0 FFADHO CN(CCN1CCC(COCC[NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001202989502 1035292093 /nfs/dbraw/zinc/29/20/93/1035292093.db2.gz QOTAZKOKZUAAIK-UHFFFAOYSA-N 1 3 369.550 2.678 20 0 FFADHO Cc1ncsc1CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228445586 1036119226 /nfs/dbraw/zinc/11/92/26/1036119226.db2.gz SJXXJZNRQCFBEN-JFIYKMOQSA-N 1 3 366.575 2.597 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cn1)[NH+](CC)CC ZINC001228559676 1036179230 /nfs/dbraw/zinc/17/92/30/1036179230.db2.gz XGFUGSXXEOVZAQ-QRVBRYPASA-N 1 3 364.509 2.858 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000836227762 1036330121 /nfs/dbraw/zinc/33/01/21/1036330121.db2.gz LUFPBRWGZQRVFB-CTXDPNEZSA-N 1 3 371.529 2.575 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000836227762 1036330141 /nfs/dbraw/zinc/33/01/41/1036330141.db2.gz LUFPBRWGZQRVFB-CTXDPNEZSA-N 1 3 371.529 2.575 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001228931468 1036412998 /nfs/dbraw/zinc/41/29/98/1036412998.db2.gz BVKZJQOVSUAVDQ-QRVBRYPASA-N 1 3 353.551 2.693 20 0 FFADHO CN(C)CCC(=O)c1ccc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc1 ZINC001229305807 1036604546 /nfs/dbraw/zinc/60/45/46/1036604546.db2.gz DZLRYUFTFPVNFW-IBGZPJMESA-N 1 3 360.498 2.843 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001234148478 1036941743 /nfs/dbraw/zinc/94/17/43/1036941743.db2.gz LXRLYFYJPLJURY-ICSRJNTNSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001234148478 1036941758 /nfs/dbraw/zinc/94/17/58/1036941758.db2.gz LXRLYFYJPLJURY-ICSRJNTNSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cc(CN(C)C)cc(F)c1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001234238252 1036968070 /nfs/dbraw/zinc/96/80/70/1036968070.db2.gz JLGNWESZIBWFDN-INIZCTEOSA-N 1 3 366.477 2.918 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC001230280199 1037192080 /nfs/dbraw/zinc/19/20/80/1037192080.db2.gz QKNZPCOWTYFTTL-QZTJIDSGSA-N 1 3 353.457 2.822 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001207262899 1037294645 /nfs/dbraw/zinc/29/46/45/1037294645.db2.gz LKHDEANXIWYOIY-MISYRCLQSA-N 1 3 363.521 2.654 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001207262899 1037294663 /nfs/dbraw/zinc/29/46/63/1037294663.db2.gz LKHDEANXIWYOIY-MISYRCLQSA-N 1 3 363.521 2.654 20 0 FFADHO Cc1cc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c(F)cc1F ZINC001277916475 1037304053 /nfs/dbraw/zinc/30/40/53/1037304053.db2.gz HNIFSXAJUVZENR-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)CC1 ZINC001207483241 1037480008 /nfs/dbraw/zinc/48/00/08/1037480008.db2.gz IVKSUIDLEYWZCJ-VAMGGRTRSA-N 1 3 359.514 2.672 20 0 FFADHO c1ccc([C@]23CC[NH2+]C[C@@H]2CN(Cc2nc4c(s2)CNCC4)CC3)cc1 ZINC001235386672 1037519800 /nfs/dbraw/zinc/51/98/00/1037519800.db2.gz WSGHVJIGYRMPCS-DYESRHJHSA-N 1 3 368.550 2.542 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2)cc1 ZINC001235482483 1037579070 /nfs/dbraw/zinc/57/90/70/1037579070.db2.gz BISFMGOXTZZRTO-HKBOAZHASA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2)cc1 ZINC001235482483 1037579080 /nfs/dbraw/zinc/57/90/80/1037579080.db2.gz BISFMGOXTZZRTO-HKBOAZHASA-N 1 3 370.541 2.695 20 0 FFADHO CN(Cc1ccco1)[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@@H]2CCCO[C@H]12 ZINC001235531396 1037611690 /nfs/dbraw/zinc/61/16/90/1037611690.db2.gz IQXRHNJQTDDDFZ-JYRKZWEQSA-N 1 3 361.530 2.581 20 0 FFADHO [NH3+]CCN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235865225 1037802852 /nfs/dbraw/zinc/80/28/52/1037802852.db2.gz ADAIZGJRENQCJQ-UHFFFAOYSA-N 1 3 353.510 2.759 20 0 FFADHO c1ccc2c(c1)C[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)CC21CC[NH2+]CC1 ZINC001235973518 1037869197 /nfs/dbraw/zinc/86/91/97/1037869197.db2.gz MHXYQKLSVZJMAA-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc2c(c1)C[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC21CC[NH2+]CC1 ZINC001235973518 1037869204 /nfs/dbraw/zinc/86/92/04/1037869204.db2.gz MHXYQKLSVZJMAA-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc2c(c1)C[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)CC21CC[NH2+]CC1 ZINC001235973518 1037869219 /nfs/dbraw/zinc/86/92/19/1037869219.db2.gz MHXYQKLSVZJMAA-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO c1ccc2c(c1)C[N@H+](Cc1cccc(-c3nn[n-]n3)c1)CC21CC[NH2+]CC1 ZINC001235973518 1037869228 /nfs/dbraw/zinc/86/92/28/1037869228.db2.gz MHXYQKLSVZJMAA-UHFFFAOYSA-N 1 3 360.465 2.504 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cccc(Cl)c3Cl)C[C@H]1C2 ZINC001236024418 1037892615 /nfs/dbraw/zinc/89/26/15/1037892615.db2.gz ZEGUOXAOAWZHQF-NPSOMJIGSA-N 1 3 369.292 2.824 20 0 FFADHO CCOC(=O)C1(CC)CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001236266304 1038009590 /nfs/dbraw/zinc/00/95/90/1038009590.db2.gz PLVWXKCLFGVTTK-UHFFFAOYSA-N 1 3 359.514 2.652 20 0 FFADHO COc1cccc(OC)c1CN1CCC([NH2+]CCCN2CCCC2)CC1 ZINC001255924385 1038253239 /nfs/dbraw/zinc/25/32/39/1038253239.db2.gz ZWEVQODHOLFNFI-UHFFFAOYSA-N 1 3 361.530 2.744 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]CCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255953542 1038270261 /nfs/dbraw/zinc/27/02/61/1038270261.db2.gz LKCPHGFPSXSJOR-DLBZAZTESA-N 1 3 357.539 2.722 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1C[C@@H](COC)N(C(=O)OC(C)(C)C)C1 ZINC001255951309 1038270560 /nfs/dbraw/zinc/27/05/60/1038270560.db2.gz HVSAECKGQDNXJF-ZACQAIPSSA-N 1 3 357.539 2.721 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@H]1CCN(C(C)C)C[C@H]1C ZINC001256000417 1038305087 /nfs/dbraw/zinc/30/50/87/1038305087.db2.gz OVFJNTNZWUXPEC-AEFFLSMTSA-N 1 3 370.534 2.750 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-n2ccnc2)cc1Cl ZINC001236919206 1038353985 /nfs/dbraw/zinc/35/39/85/1038353985.db2.gz VRGMKMLEDGQMTF-VQTJNVASSA-N 1 3 373.932 2.736 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-n2ccnc2)cc1Cl ZINC001236919206 1038353990 /nfs/dbraw/zinc/35/39/90/1038353990.db2.gz VRGMKMLEDGQMTF-VQTJNVASSA-N 1 3 373.932 2.736 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C)[NH+](C)C ZINC001208515402 1038376387 /nfs/dbraw/zinc/37/63/87/1038376387.db2.gz LRFXEOBZXHTBSR-MISYRCLQSA-N 1 3 367.578 2.749 20 0 FFADHO c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCN(C3CCOCC3)CC2)cc1 ZINC001208588362 1038429125 /nfs/dbraw/zinc/42/91/25/1038429125.db2.gz GXSOKLVNYMNZET-JOCHJYFZSA-N 1 3 357.542 2.838 20 0 FFADHO c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCN(C3CCOCC3)CC2)cc1 ZINC001208588362 1038429127 /nfs/dbraw/zinc/42/91/27/1038429127.db2.gz GXSOKLVNYMNZET-JOCHJYFZSA-N 1 3 357.542 2.838 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208609530 1038443610 /nfs/dbraw/zinc/44/36/10/1038443610.db2.gz MFGPVWTVPLHGFR-OALUTQOASA-N 1 3 361.530 2.677 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208609530 1038443617 /nfs/dbraw/zinc/44/36/17/1038443617.db2.gz MFGPVWTVPLHGFR-OALUTQOASA-N 1 3 361.530 2.677 20 0 FFADHO C[C@@H]1C[C@H](NCCOc2ccc(C(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256529304 1038546884 /nfs/dbraw/zinc/54/68/84/1038546884.db2.gz SAPLAEWCTVOOMQ-YLJYHZDGSA-N 1 3 367.493 2.807 20 0 FFADHO C[C@@H]1C[C@H](NCCOc2ccc(C(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256529304 1038546889 /nfs/dbraw/zinc/54/68/89/1038546889.db2.gz SAPLAEWCTVOOMQ-YLJYHZDGSA-N 1 3 367.493 2.807 20 0 FFADHO c1cc(CN2CCC([NH2+]C3CCN(CC4CCOCC4)CC3)CC2)ccn1 ZINC001256586129 1038570013 /nfs/dbraw/zinc/57/00/13/1038570013.db2.gz WUHJWXWBMSBTIR-UHFFFAOYSA-N 1 3 372.557 2.527 20 0 FFADHO COC(=O)c1cccc2c1CCN(C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256864494 1038639442 /nfs/dbraw/zinc/63/94/42/1038639442.db2.gz JPYRGKYQJZQNMZ-UHFFFAOYSA-N 1 3 351.450 2.895 20 0 FFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCCC(C)(C)OC(C)=O)C2 ZINC001209150897 1038687544 /nfs/dbraw/zinc/68/75/44/1038687544.db2.gz KURSIKOIDNSKIY-CTNGQTDRSA-N 1 3 366.546 2.789 20 0 FFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCCC(C)(C)OC(C)=O)C2 ZINC001209150897 1038687548 /nfs/dbraw/zinc/68/75/48/1038687548.db2.gz KURSIKOIDNSKIY-CTNGQTDRSA-N 1 3 366.546 2.789 20 0 FFADHO CC(C)N1CCC([NH2+]Cc2ccc(N3CCCCS3(=O)=O)cc2)CC1 ZINC001257212466 1038746248 /nfs/dbraw/zinc/74/62/48/1038746248.db2.gz VZYVMMIZNBDYLD-UHFFFAOYSA-N 1 3 365.543 2.579 20 0 FFADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC3Cc4ccccc4C3)CC2)C1 ZINC001209323012 1038759227 /nfs/dbraw/zinc/75/92/27/1038759227.db2.gz KYROJLXHHTUROP-HXUWFJFHSA-N 1 3 356.510 2.751 20 0 FFADHO COC(=O)[C@@H]1CCC[N@H+](C2CCN(CC3Cc4ccccc4C3)CC2)C1 ZINC001209323012 1038759237 /nfs/dbraw/zinc/75/92/37/1038759237.db2.gz KYROJLXHHTUROP-HXUWFJFHSA-N 1 3 356.510 2.751 20 0 FFADHO Clc1cc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)ccn1 ZINC001279005000 1038760204 /nfs/dbraw/zinc/76/02/04/1038760204.db2.gz ZVLWCWUEIVSNLY-HDICACEKSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1cc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)ccn1 ZINC001279005000 1038760210 /nfs/dbraw/zinc/76/02/10/1038760210.db2.gz ZVLWCWUEIVSNLY-HDICACEKSA-N 1 3 359.905 2.776 20 0 FFADHO CCCCCC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001257366531 1038774956 /nfs/dbraw/zinc/77/49/56/1038774956.db2.gz WHAXCIMNAUHUIW-LJQANCHMSA-N 1 3 366.594 2.516 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cc(Cl)ncc3F)C[C@H]2CC1 ZINC001278613070 1038801778 /nfs/dbraw/zinc/80/17/78/1038801778.db2.gz QKMIZMFJHLXFAG-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)ncc3F)C[C@H]2CC1 ZINC001278613070 1038801800 /nfs/dbraw/zinc/80/18/00/1038801800.db2.gz QKMIZMFJHLXFAG-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CCOC(=O)C1CCC(O)(C[NH2+]C2CCN(C(CC)CC)CC2)CC1 ZINC001251074714 1038926929 /nfs/dbraw/zinc/92/69/29/1038926929.db2.gz ZBPLVEGAIDKACU-UHFFFAOYSA-N 1 3 354.535 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CNC2CC[NH+](C(CC)CC)CC2)CC1 ZINC001251074714 1038926938 /nfs/dbraw/zinc/92/69/38/1038926938.db2.gz ZBPLVEGAIDKACU-UHFFFAOYSA-N 1 3 354.535 2.713 20 0 FFADHO CC(C)CN1CCC([NH2+]CCNC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC001258008683 1039107235 /nfs/dbraw/zinc/10/72/35/1039107235.db2.gz CVFXZCQJNWOKDN-NRFANRHFSA-N 1 3 357.542 2.933 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN[C@@]2(C)CCC[NH2+]CC2)cc1 ZINC001245987860 1039177042 /nfs/dbraw/zinc/17/70/42/1039177042.db2.gz CQUONSOBFHMABJ-RXVVDRJESA-N 1 3 362.514 2.624 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001245996322 1039182550 /nfs/dbraw/zinc/18/25/50/1039182550.db2.gz VFGQCKJLXPDEEK-BBWFWOEESA-N 1 3 367.493 2.896 20 0 FFADHO O[C@H](COCC(F)(F)C(F)F)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001251575957 1039186131 /nfs/dbraw/zinc/18/61/31/1039186131.db2.gz VBWAPUYZAYBPLQ-CABCVRRESA-N 1 3 370.431 2.605 20 0 FFADHO O[C@H](COCC(F)(F)C(F)F)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001251575957 1039186141 /nfs/dbraw/zinc/18/61/41/1039186141.db2.gz VBWAPUYZAYBPLQ-CABCVRRESA-N 1 3 370.431 2.605 20 0 FFADHO C[C@@H]1CCN(C[C@H](O)COCc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC001246024453 1039199459 /nfs/dbraw/zinc/19/94/59/1039199459.db2.gz VTABWCSKWAHVEJ-RDBSUJKOSA-N 1 3 361.313 2.788 20 0 FFADHO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258172850 1039248423 /nfs/dbraw/zinc/24/84/23/1039248423.db2.gz TYSMIZISXGUWSQ-PKOBYXMFSA-N 1 3 369.509 2.615 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC001251684595 1039249452 /nfs/dbraw/zinc/24/94/52/1039249452.db2.gz MMFHEOXIMRTPSA-UXHICEINSA-N 1 3 360.546 2.881 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC001251684595 1039249466 /nfs/dbraw/zinc/24/94/66/1039249466.db2.gz MMFHEOXIMRTPSA-UXHICEINSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CCN1 ZINC001246199418 1039275004 /nfs/dbraw/zinc/27/50/04/1039275004.db2.gz WCVRSSLIAFBNEN-YYIAUSFCSA-N 1 3 370.534 2.749 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H](CC2CC[NH2+]CC2)c2ccccc2)CN1 ZINC001246395590 1039334625 /nfs/dbraw/zinc/33/46/25/1039334625.db2.gz NTXLAKMAFWSJFI-UFYCRDLUSA-N 1 3 373.541 2.779 20 0 FFADHO CCCC[C@@H](CC)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246409084 1039344719 /nfs/dbraw/zinc/34/47/19/1039344719.db2.gz AOUSLBGCOHXEQQ-RWLNFDPSSA-N 1 3 356.551 2.847 20 0 FFADHO Brc1ccccc1CC1([NH2+]C2CCNCC2)CCOCC1 ZINC001246443567 1039357600 /nfs/dbraw/zinc/35/76/00/1039357600.db2.gz YTFGQTIBXSRWLA-UHFFFAOYSA-N 1 3 353.304 2.882 20 0 FFADHO Fc1cccc(CC2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246467817 1039363519 /nfs/dbraw/zinc/36/35/19/1039363519.db2.gz UUDGFNLUAVEDMU-JKSUJKDBSA-N 1 3 359.411 2.763 20 0 FFADHO C[C@@H](CCN)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246516343 1039381420 /nfs/dbraw/zinc/38/14/20/1039381420.db2.gz VOULJLFWBRGZHS-XUWVNRHRSA-N 1 3 370.534 2.782 20 0 FFADHO CCCc1ccc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1 ZINC001279101777 1039386705 /nfs/dbraw/zinc/38/67/05/1039386705.db2.gz ZDZWPNLGWFEGHI-OYRHEFFESA-N 1 3 357.542 2.871 20 0 FFADHO CCCc1ccc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1 ZINC001279101777 1039386718 /nfs/dbraw/zinc/38/67/18/1039386718.db2.gz ZDZWPNLGWFEGHI-OYRHEFFESA-N 1 3 357.542 2.871 20 0 FFADHO Cc1cc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cnc1Cl ZINC001278643557 1039424604 /nfs/dbraw/zinc/42/46/04/1039424604.db2.gz WSQFSPUTBADEAP-IBGZPJMESA-N 1 3 350.938 2.893 20 0 FFADHO COc1ccc2cc(CC[C@@H](C)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)ccc2c1 ZINC001246648523 1039425979 /nfs/dbraw/zinc/42/59/79/1039425979.db2.gz ZBRBZWGMXQATCG-CNDZOEFASA-N 1 3 354.494 2.683 20 0 FFADHO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCN[C@H](C)C3)O2)cs1 ZINC001246734385 1039456248 /nfs/dbraw/zinc/45/62/48/1039456248.db2.gz XOLZJDCDLSRGNL-CAEUUNHDSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CCN[C@H](C)C3)O2)cs1 ZINC001246734385 1039456257 /nfs/dbraw/zinc/45/62/57/1039456257.db2.gz XOLZJDCDLSRGNL-CAEUUNHDSA-N 1 3 365.543 2.731 20 0 FFADHO CC1(C)C[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246809040 1039489345 /nfs/dbraw/zinc/48/93/45/1039489345.db2.gz ZQJMSOWKSQWECK-HZPDHXFCSA-N 1 3 352.320 2.926 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](CCC2CCOCC2)CC3)n(C)n1 ZINC001278468172 1039497706 /nfs/dbraw/zinc/49/77/06/1039497706.db2.gz GHKNSFOGPNIVCA-UHFFFAOYSA-N 1 3 360.546 2.833 20 0 FFADHO CCC[NH+]1CCC(NCCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001258769293 1039503314 /nfs/dbraw/zinc/50/33/14/1039503314.db2.gz JZQWMGMKXYZXRY-UHFFFAOYSA-N 1 3 371.481 2.894 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)CC1 ZINC001258772999 1039506453 /nfs/dbraw/zinc/50/64/53/1039506453.db2.gz AYDWGGQWCFWJKE-LJQANCHMSA-N 1 3 365.562 2.504 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(OC)cc2)C2CCNCC2)C1 ZINC001246955318 1039547842 /nfs/dbraw/zinc/54/78/42/1039547842.db2.gz RRYCPBMWUWASOZ-MJGOQNOKSA-N 1 3 360.498 2.981 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(OC)cc2)C2CCNCC2)C1 ZINC001246955318 1039547853 /nfs/dbraw/zinc/54/78/53/1039547853.db2.gz RRYCPBMWUWASOZ-MJGOQNOKSA-N 1 3 360.498 2.981 20 0 FFADHO CCOC(=O)[C@H]1CN([C@@H](C)Cc2c(F)cccc2Cl)CCC12C[NH2+]C2 ZINC001247003786 1039573775 /nfs/dbraw/zinc/57/37/75/1039573775.db2.gz ABOCWXADGWYYCJ-DZGCQCFKSA-N 1 3 368.880 2.885 20 0 FFADHO COc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)cc1 ZINC001252717575 1039661795 /nfs/dbraw/zinc/66/17/95/1039661795.db2.gz HLXKBPIIINFGFN-FHWLQOOXSA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)cc1 ZINC001252717575 1039661801 /nfs/dbraw/zinc/66/18/01/1039661801.db2.gz HLXKBPIIINFGFN-FHWLQOOXSA-N 1 3 362.514 2.774 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001252930737 1039811490 /nfs/dbraw/zinc/81/14/90/1039811490.db2.gz AVCXJFJSQVNJQX-ZVDOUQERSA-N 1 3 374.573 2.921 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001252930737 1039811509 /nfs/dbraw/zinc/81/15/09/1039811509.db2.gz AVCXJFJSQVNJQX-ZVDOUQERSA-N 1 3 374.573 2.921 20 0 FFADHO Cc1cccc(C2(CNC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001252951322 1039863570 /nfs/dbraw/zinc/86/35/70/1039863570.db2.gz RHNVRZSMHCDMHA-QFIPXVFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1cccc(C2(CNC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001252951322 1039863595 /nfs/dbraw/zinc/86/35/95/1039863595.db2.gz RHNVRZSMHCDMHA-QFIPXVFZSA-N 1 3 351.494 2.648 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNC1(Cc2ccc(Cl)cc2)CCOCC1 ZINC001253212991 1040046967 /nfs/dbraw/zinc/04/69/67/1040046967.db2.gz QXNVIPNAWBFFKV-GOSISDBHSA-N 1 3 354.922 2.724 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC001211270350 1040056129 /nfs/dbraw/zinc/05/61/29/1040056129.db2.gz WZJCDPMWUKCOQC-WOJBJXKFSA-N 1 3 358.530 2.607 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC001211270350 1040056145 /nfs/dbraw/zinc/05/61/45/1040056145.db2.gz WZJCDPMWUKCOQC-WOJBJXKFSA-N 1 3 358.530 2.607 20 0 FFADHO [NH3+][C@@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)Cc1ccccc1Cl ZINC001248226737 1040183547 /nfs/dbraw/zinc/18/35/47/1040183547.db2.gz CARXBZJBFYQMQW-CQSZACIVSA-N 1 3 369.856 2.543 20 0 FFADHO O=c1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccnc(F)c2)CC3)[nH]1 ZINC001278726766 1040238960 /nfs/dbraw/zinc/23/89/60/1040238960.db2.gz DMYSAENIDHVMKM-UHFFFAOYSA-N 1 3 356.445 2.809 20 0 FFADHO O=c1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2ccnc(F)c2)CC3)[nH]1 ZINC001278726766 1040238975 /nfs/dbraw/zinc/23/89/75/1040238975.db2.gz DMYSAENIDHVMKM-UHFFFAOYSA-N 1 3 356.445 2.809 20 0 FFADHO CN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001253681632 1040317166 /nfs/dbraw/zinc/31/71/66/1040317166.db2.gz AGNIWTMWFDVWSV-UHFFFAOYSA-N 1 3 367.497 2.874 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2CC1 ZINC001278738330 1040345610 /nfs/dbraw/zinc/34/56/10/1040345610.db2.gz IJDGSRGOFPMXDR-KDURUIRLSA-N 1 3 355.526 2.796 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]2CC1 ZINC001278738330 1040345628 /nfs/dbraw/zinc/34/56/28/1040345628.db2.gz IJDGSRGOFPMXDR-KDURUIRLSA-N 1 3 355.526 2.796 20 0 FFADHO OC1(C[NH+]2CCC(c3c[nH]cn3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254040830 1040541350 /nfs/dbraw/zinc/54/13/50/1040541350.db2.gz YWBSFIRGYBOHNH-UHFFFAOYSA-N 1 3 354.498 2.616 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1OC)[NH+](CC)CC ZINC001213434606 1040549434 /nfs/dbraw/zinc/54/94/34/1040549434.db2.gz IQBJAVKHCFJWHS-CEXWTWQISA-N 1 3 365.562 2.503 20 0 FFADHO COc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1F ZINC001254051648 1040553557 /nfs/dbraw/zinc/55/35/57/1040553557.db2.gz VUCYAZWEFJCFCH-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)C1 ZINC001254227987 1040625405 /nfs/dbraw/zinc/62/54/05/1040625405.db2.gz JBVOZDMKIQDJFD-BRWVUGGUSA-N 1 3 367.534 2.870 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)CC1 ZINC001254518382 1040765577 /nfs/dbraw/zinc/76/55/77/1040765577.db2.gz MJOBLJWFLNHYDQ-FDFHNCONSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)CC1 ZINC001254518382 1040765595 /nfs/dbraw/zinc/76/55/95/1040765595.db2.gz MJOBLJWFLNHYDQ-FDFHNCONSA-N 1 3 373.541 2.954 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1 ZINC001254520377 1040771785 /nfs/dbraw/zinc/77/17/85/1040771785.db2.gz XKMWJOHNQZZAGD-GOSISDBHSA-N 1 3 363.571 2.899 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1 ZINC001254520377 1040771793 /nfs/dbraw/zinc/77/17/93/1040771793.db2.gz XKMWJOHNQZZAGD-GOSISDBHSA-N 1 3 363.571 2.899 20 0 FFADHO CN1CCC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)CC1 ZINC001254523557 1040778269 /nfs/dbraw/zinc/77/82/69/1040778269.db2.gz UULHCRWFNNXTSM-CEMLEFRQSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@@H]([N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)CC1 ZINC001254523557 1040778281 /nfs/dbraw/zinc/77/82/81/1040778281.db2.gz UULHCRWFNNXTSM-CEMLEFRQSA-N 1 3 373.541 2.954 20 0 FFADHO COCCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254529155 1040781882 /nfs/dbraw/zinc/78/18/82/1040781882.db2.gz DSDHLUQHTUFBPJ-ZWKOTPCHSA-N 1 3 369.550 2.819 20 0 FFADHO COCCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254529155 1040781902 /nfs/dbraw/zinc/78/19/02/1040781902.db2.gz DSDHLUQHTUFBPJ-ZWKOTPCHSA-N 1 3 369.550 2.819 20 0 FFADHO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H](OC)C1 ZINC001213702231 1040811680 /nfs/dbraw/zinc/81/16/80/1040811680.db2.gz FXQOUAIMSZBGGW-GUDVDZBRSA-N 1 3 353.551 2.647 20 0 FFADHO CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H](OC)C1 ZINC001213702231 1040811688 /nfs/dbraw/zinc/81/16/88/1040811688.db2.gz FXQOUAIMSZBGGW-GUDVDZBRSA-N 1 3 353.551 2.647 20 0 FFADHO CO[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754274 1040875029 /nfs/dbraw/zinc/87/50/29/1040875029.db2.gz WRAJUABIIZGZTF-DFQSSKMNSA-N 1 3 361.530 2.603 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C3C[C@@H]4CC(=O)C[C@H]4C3)cc2)CC1 ZINC001254925430 1041048478 /nfs/dbraw/zinc/04/84/78/1041048478.db2.gz RNIPSYRHMQBBMF-WOJBJXKFSA-N 1 3 355.526 2.671 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974351 1041130665 /nfs/dbraw/zinc/13/06/65/1041130665.db2.gz VTDCRUNKCWRQNW-RTBURBONSA-N 1 3 353.551 2.648 20 0 FFADHO O=C1NC2(CO1)CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255146707 1041171618 /nfs/dbraw/zinc/17/16/18/1041171618.db2.gz IMRPHTNUXNCCED-REPLKXPHSA-N 1 3 355.482 2.756 20 0 FFADHO O=C1NC2(CO1)CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255146707 1041171626 /nfs/dbraw/zinc/17/16/26/1041171626.db2.gz IMRPHTNUXNCCED-REPLKXPHSA-N 1 3 355.482 2.756 20 0 FFADHO COc1cccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1OCC1CC1 ZINC001250526408 1041237288 /nfs/dbraw/zinc/23/72/88/1041237288.db2.gz HELZDKGEEPZVBW-VQTJNVASSA-N 1 3 373.541 2.694 20 0 FFADHO COc1cccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1OCC1CC1 ZINC001250526408 1041237307 /nfs/dbraw/zinc/23/73/07/1041237307.db2.gz HELZDKGEEPZVBW-VQTJNVASSA-N 1 3 373.541 2.694 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(N3CCC(OC)CC3)CC2)C1 ZINC001255376612 1041306187 /nfs/dbraw/zinc/30/61/87/1041306187.db2.gz DKUWZLTUWSWGLO-SJLPKXTDSA-N 1 3 352.519 2.684 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001214856187 1041595800 /nfs/dbraw/zinc/59/58/00/1041595800.db2.gz XWGGNTPMSARXPR-AHRSYUTCSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001214997513 1041638698 /nfs/dbraw/zinc/63/86/98/1041638698.db2.gz IXFKRWSPBDPRCE-ZIAGYGMSSA-N 1 3 351.457 2.886 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001214998373 1041639779 /nfs/dbraw/zinc/63/97/79/1041639779.db2.gz VWYXNTYSJSHJQK-GDBMZVCRSA-N 1 3 359.505 2.979 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)N(C)C)cc1 ZINC001262567453 1041726185 /nfs/dbraw/zinc/72/61/85/1041726185.db2.gz SPPMPKYQKTZWKD-XHSDSOJGSA-N 1 3 372.435 2.519 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC001215558693 1041826652 /nfs/dbraw/zinc/82/66/52/1041826652.db2.gz YOSPHDCOWBAMCQ-GDBMZVCRSA-N 1 3 366.937 2.649 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C1CCCC1 ZINC001215567917 1041829715 /nfs/dbraw/zinc/82/97/15/1041829715.db2.gz GPIZHQZGABPGRD-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778522 1041879441 /nfs/dbraw/zinc/87/94/41/1041879441.db2.gz PYWPTVHGWCKNGB-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001216511190 1042044880 /nfs/dbraw/zinc/04/48/80/1042044880.db2.gz MDKHHAYOJWSSIH-DBXWQHBBSA-N 1 3 357.542 2.570 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2c(F)cccc2F)C1 ZINC001216511007 1042044914 /nfs/dbraw/zinc/04/49/14/1042044914.db2.gz IKVTXNAWEKZREC-DNVCBOLYSA-N 1 3 367.484 2.676 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001216851798 1042144335 /nfs/dbraw/zinc/14/43/35/1042144335.db2.gz IRIRNXYERANHDU-YFVAEKQCSA-N 1 3 357.542 2.883 20 0 FFADHO CC(C)(C[NH3+])C1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC001263233951 1042189811 /nfs/dbraw/zinc/18/98/11/1042189811.db2.gz IKHFVHYTQYYBQB-SFHVURJKSA-N 1 3 358.530 2.517 20 0 FFADHO COc1ccc(Cl)c(CN[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001263703668 1042443799 /nfs/dbraw/zinc/44/37/99/1042443799.db2.gz GBBZRPHVIHAHRI-RDTXWAMCSA-N 1 3 367.921 2.627 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3F)C2)C1 ZINC001263926306 1042537209 /nfs/dbraw/zinc/53/72/09/1042537209.db2.gz LUMVJOOSUXUKRO-ARFHVFGLSA-N 1 3 365.468 2.681 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3F)C2)C1 ZINC001263926306 1042537213 /nfs/dbraw/zinc/53/72/13/1042537213.db2.gz LUMVJOOSUXUKRO-ARFHVFGLSA-N 1 3 365.468 2.681 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c1 ZINC001264100892 1042625913 /nfs/dbraw/zinc/62/59/13/1042625913.db2.gz KXQQOZHLQUHMAA-CTNGQTDRSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c1 ZINC001264100892 1042625917 /nfs/dbraw/zinc/62/59/17/1042625917.db2.gz KXQQOZHLQUHMAA-CTNGQTDRSA-N 1 3 357.542 2.924 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001264477529 1042688590 /nfs/dbraw/zinc/68/85/90/1042688590.db2.gz KTTLOTCNGCBZHV-LZLYRXPVSA-N 1 3 351.560 2.751 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001264650329 1042769200 /nfs/dbraw/zinc/76/92/00/1042769200.db2.gz MZFXTRZWEFQDGR-MSOLQXFVSA-N 1 3 363.933 2.962 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)[C@@H]1C)[NH+](C)C ZINC001264728837 1042809535 /nfs/dbraw/zinc/80/95/35/1042809535.db2.gz VNPIILHUYFGWFP-TYCQWZJGSA-N 1 3 357.542 2.841 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccc4nccn4c3)C2)C1 ZINC001279127024 1042910322 /nfs/dbraw/zinc/91/03/22/1042910322.db2.gz YHUXTIKZPLGARQ-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ccc4nccn4c3)C2)C1 ZINC001279127024 1042910325 /nfs/dbraw/zinc/91/03/25/1042910325.db2.gz YHUXTIKZPLGARQ-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO COc1cc(F)c(F)cc1CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279153871 1042922722 /nfs/dbraw/zinc/92/27/22/1042922722.db2.gz ZXFGYWLTVFHIBB-FQEVSTJZSA-N 1 3 367.484 2.823 20 0 FFADHO CCc1ccc(CN2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)s1 ZINC001279270958 1042976992 /nfs/dbraw/zinc/97/69/92/1042976992.db2.gz HYWHJPZJSAGKRE-IBGZPJMESA-N 1 3 351.560 2.539 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1nc3c(s1)CCCC3)C2 ZINC001279289254 1042985031 /nfs/dbraw/zinc/98/50/31/1042985031.db2.gz GEOXINJBNLESIX-FQEVSTJZSA-N 1 3 362.587 2.871 20 0 FFADHO O=c1[nH]cc(C[N@H+]2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)c(=O)[nH]1 ZINC001279307624 1042993780 /nfs/dbraw/zinc/99/37/80/1042993780.db2.gz BRSWRTMDAPVOHD-MRXNPFEDSA-N 1 3 374.407 2.518 20 0 FFADHO O=c1[nH]cc(C[N@@H+]2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)c(=O)[nH]1 ZINC001279307624 1042993782 /nfs/dbraw/zinc/99/37/82/1042993782.db2.gz BRSWRTMDAPVOHD-MRXNPFEDSA-N 1 3 374.407 2.518 20 0 FFADHO COc1ncc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279396521 1043052729 /nfs/dbraw/zinc/05/27/29/1043052729.db2.gz UFNRDIDQPSRQJG-IBGZPJMESA-N 1 3 366.937 2.593 20 0 FFADHO FC(F)c1cc(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)ccn1 ZINC001279439263 1043113046 /nfs/dbraw/zinc/11/30/46/1043113046.db2.gz MKPWOTVBSSPKFW-UHFFFAOYSA-N 1 3 361.440 2.814 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cc(C)ccc2OC(C)C)CCC12C[NH2+]C2 ZINC001237429632 1043155104 /nfs/dbraw/zinc/15/51/04/1043155104.db2.gz GHVXIORVEYLPIP-GOSISDBHSA-N 1 3 360.498 2.757 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(CN(CCc3ccc(Br)cc3)C2)C1 ZINC001279602803 1043322417 /nfs/dbraw/zinc/32/24/17/1043322417.db2.gz UOWGGYVHOGTPEF-UHFFFAOYSA-N 1 3 366.347 2.561 20 0 FFADHO CN(C)CC[N@H+]1CCC2(CN(CCc3ccc(Br)cc3)C2)C1 ZINC001279602803 1043322426 /nfs/dbraw/zinc/32/24/26/1043322426.db2.gz UOWGGYVHOGTPEF-UHFFFAOYSA-N 1 3 366.347 2.561 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCCC2(CCN(Cc3cncc(Cl)c3)CC2)C1 ZINC001279639572 1043383324 /nfs/dbraw/zinc/38/33/24/1043383324.db2.gz OMMARFUDFNJYLO-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCCC2(CCN(Cc3cncc(Cl)c3)CC2)C1 ZINC001279639572 1043383331 /nfs/dbraw/zinc/38/33/31/1043383331.db2.gz OMMARFUDFNJYLO-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cccc4occc43)C[C@H]2CC1 ZINC001279658343 1043416403 /nfs/dbraw/zinc/41/64/03/1043416403.db2.gz HMJVUQRBZBLXIO-CALCHBBNSA-N 1 3 355.482 2.665 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cccc4occc43)C[C@H]2CC1 ZINC001279658343 1043416409 /nfs/dbraw/zinc/41/64/09/1043416409.db2.gz HMJVUQRBZBLXIO-CALCHBBNSA-N 1 3 355.482 2.665 20 0 FFADHO CCOc1cncc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001279669757 1043437166 /nfs/dbraw/zinc/43/71/66/1043437166.db2.gz QHXOUKNTHBMVBD-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO CCOc1cncc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001279669757 1043437173 /nfs/dbraw/zinc/43/71/73/1043437173.db2.gz QHXOUKNTHBMVBD-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO Cc1ccc2ncc(CN[C@@]34CC[C@@]([NH2+]CCN(C)C)(C3)CCC4)n2c1 ZINC001279675196 1043447036 /nfs/dbraw/zinc/44/70/36/1043447036.db2.gz OUSMNPWZNGNIFP-RTWAWAEBSA-N 1 3 355.530 2.729 20 0 FFADHO C[C@H]1C[C@H]1CN1CCC([NH+]2CCC(C(=O)N3CCCC34CC4)CC2)CC1 ZINC001279826278 1043722913 /nfs/dbraw/zinc/72/29/13/1043722913.db2.gz KLZJAFONPWMTBX-HKUYNNGSSA-N 1 3 359.558 2.974 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001311685745 1043959735 /nfs/dbraw/zinc/95/97/35/1043959735.db2.gz MECCLQVBURHCGT-UHFFFAOYSA-N 1 3 360.546 2.928 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3cccc(C)c3F)(C1)C2 ZINC001279972446 1044012128 /nfs/dbraw/zinc/01/21/28/1044012128.db2.gz NBKSBANVKPLELB-UHFFFAOYSA-N 1 3 361.505 2.947 20 0 FFADHO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217875 1044073074 /nfs/dbraw/zinc/07/30/74/1044073074.db2.gz VINRNSNTYVBUTH-MRXNPFEDSA-N 1 3 369.469 2.646 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001280053942 1044142890 /nfs/dbraw/zinc/14/28/90/1044142890.db2.gz SEODTPBNJABARZ-OWCLPIDISA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001280053942 1044142895 /nfs/dbraw/zinc/14/28/95/1044142895.db2.gz SEODTPBNJABARZ-OWCLPIDISA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC001312823313 1044178188 /nfs/dbraw/zinc/17/81/88/1044178188.db2.gz JOSJVKVZJAABQZ-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001312823313 1044178195 /nfs/dbraw/zinc/17/81/95/1044178195.db2.gz JOSJVKVZJAABQZ-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001313376739 1044337165 /nfs/dbraw/zinc/33/71/65/1044337165.db2.gz AZQRAGYIHLYFJV-SJBKTWHCSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001313376739 1044337181 /nfs/dbraw/zinc/33/71/81/1044337181.db2.gz AZQRAGYIHLYFJV-SJBKTWHCSA-N 1 3 370.541 2.634 20 0 FFADHO c1ccc(CN2CC=C(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)cc1 ZINC001241502136 1044531272 /nfs/dbraw/zinc/53/12/72/1044531272.db2.gz AIOGPYVGBXUNRB-UHFFFAOYSA-N 1 3 350.466 2.897 20 0 FFADHO CCCCCN1CCC([NH+]2CCC(C(=O)N3CCCCO3)CC2)CC1 ZINC001280287504 1044546878 /nfs/dbraw/zinc/54/68/78/1044546878.db2.gz TZELNDJXTBMOGZ-UHFFFAOYSA-N 1 3 351.535 2.907 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C[NH2+]CCOC2CCC2)C1 ZINC001316704818 1044611344 /nfs/dbraw/zinc/61/13/44/1044611344.db2.gz QQMMYSAEMPHTEK-MSOLQXFVSA-N 1 3 367.578 2.750 20 0 FFADHO CN1CCN(c2cccc(-c3cccc(CN4CC[C@H]([NH3+])C4)c3)c2)CC1 ZINC001243670351 1044988744 /nfs/dbraw/zinc/98/87/44/1044988744.db2.gz BMSJSKSZJQTBNP-NRFANRHFSA-N 1 3 350.510 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cncc(F)c2)CC(C)C)CC[N@@H+]1C ZINC001319610641 1045213307 /nfs/dbraw/zinc/21/33/07/1045213307.db2.gz VRCSLVRXVZGRIL-GBESFXJTSA-N 1 3 364.509 2.572 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cncc(F)c2)CC(C)C)CC[N@H+]1C ZINC001319610641 1045213315 /nfs/dbraw/zinc/21/33/15/1045213315.db2.gz VRCSLVRXVZGRIL-GBESFXJTSA-N 1 3 364.509 2.572 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)cc2)CC1 ZINC001318385291 1045287411 /nfs/dbraw/zinc/28/74/11/1045287411.db2.gz HKKJUKWBZXBVQC-RTWAWAEBSA-N 1 3 372.557 2.820 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C)CC[N@@H+]1C ZINC001319916747 1045302007 /nfs/dbraw/zinc/30/20/07/1045302007.db2.gz QUFJVHNCGOCRTE-BFHYXJOUSA-N 1 3 350.334 2.766 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C)CC[N@H+]1C ZINC001319916747 1045302013 /nfs/dbraw/zinc/30/20/13/1045302013.db2.gz QUFJVHNCGOCRTE-BFHYXJOUSA-N 1 3 350.334 2.766 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN(CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001324936577 1046296176 /nfs/dbraw/zinc/29/61/76/1046296176.db2.gz MSYGLFUMLMLMCD-ZMSDIMECSA-N 1 3 363.468 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCCN(CCC(F)(F)F)C2)CC[N@H+]1C ZINC001324936577 1046296186 /nfs/dbraw/zinc/29/61/86/1046296186.db2.gz MSYGLFUMLMLMCD-ZMSDIMECSA-N 1 3 363.468 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCc2oc(C(C)C)nc2C)CC[N@@H+]1C ZINC001328344199 1048266836 /nfs/dbraw/zinc/26/68/36/1048266836.db2.gz WUTHBEPVSNVCQN-BHYGNILZSA-N 1 3 364.534 2.821 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCc2oc(C(C)C)nc2C)CC[N@H+]1C ZINC001328344199 1048266842 /nfs/dbraw/zinc/26/68/42/1048266842.db2.gz WUTHBEPVSNVCQN-BHYGNILZSA-N 1 3 364.534 2.821 20 0 FFADHO NCc1nc2c(s1)CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001333243361 1048779925 /nfs/dbraw/zinc/77/99/25/1048779925.db2.gz IFELOBBMTOYCFE-QGZVFWFLSA-N 1 3 370.522 2.541 20 0 FFADHO NCc1nc2c(s1)CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001333243361 1048779940 /nfs/dbraw/zinc/77/99/40/1048779940.db2.gz IFELOBBMTOYCFE-QGZVFWFLSA-N 1 3 370.522 2.541 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC1CC[NH+](C2CC2)CC1 ZINC001292907473 1049434376 /nfs/dbraw/zinc/43/43/76/1049434376.db2.gz SOFWCXNJWZTTQD-DLBZAZTESA-N 1 3 374.577 2.634 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001294886241 1049826788 /nfs/dbraw/zinc/82/67/88/1049826788.db2.gz SVNVWDFJXPYQNG-HZEGPAAWSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001294886241 1049826796 /nfs/dbraw/zinc/82/67/96/1049826796.db2.gz SVNVWDFJXPYQNG-HZEGPAAWSA-N 1 3 355.526 2.840 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001295977836 1050008281 /nfs/dbraw/zinc/00/82/81/1050008281.db2.gz IWYPGGPBVIYTFV-BZSNNMDCSA-N 1 3 362.566 2.626 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001295994085 1050010619 /nfs/dbraw/zinc/01/06/19/1050010619.db2.gz IVDXCQIZFYCXLG-ZACQAIPSSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001295994085 1050010624 /nfs/dbraw/zinc/01/06/24/1050010624.db2.gz IVDXCQIZFYCXLG-ZACQAIPSSA-N 1 3 360.550 2.559 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001296085466 1050021085 /nfs/dbraw/zinc/02/10/85/1050021085.db2.gz TXYRTPHOGGLOAL-LJQANCHMSA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001296085466 1050021092 /nfs/dbraw/zinc/02/10/92/1050021092.db2.gz TXYRTPHOGGLOAL-LJQANCHMSA-N 1 3 374.577 2.808 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)OCCNC2 ZINC001341541721 1050170952 /nfs/dbraw/zinc/17/09/52/1050170952.db2.gz XDEFUTDUOGRJCL-UHFFFAOYSA-N 1 3 359.514 2.609 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001341887126 1050490161 /nfs/dbraw/zinc/49/01/61/1050490161.db2.gz FVFSBOBDPMWEPD-INIZCTEOSA-N 1 3 356.514 2.503 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2CCC(C)([NH+](C)C)CC2)cc(Cl)n1 ZINC001342498612 1051100996 /nfs/dbraw/zinc/10/09/96/1051100996.db2.gz GIRUFUFHDZYFBM-CSLYMUCUSA-N 1 3 352.910 2.812 20 0 FFADHO [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1)C1CCCC1 ZINC001340955268 1051286694 /nfs/dbraw/zinc/28/66/94/1051286694.db2.gz YJFMZHYAXMAFET-UZLBHIALSA-N 1 3 371.525 2.928 20 0 FFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342756329 1051372181 /nfs/dbraw/zinc/37/21/81/1051372181.db2.gz HKWLIDPVHYAKPY-NTLWEQJWSA-N 1 3 369.509 2.512 20 0 FFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342756329 1051372186 /nfs/dbraw/zinc/37/21/86/1051372186.db2.gz HKWLIDPVHYAKPY-NTLWEQJWSA-N 1 3 369.509 2.512 20 0 FFADHO CC[C@H](C(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21)[NH+](CC)CC ZINC001342757747 1051373675 /nfs/dbraw/zinc/37/36/75/1051373675.db2.gz NQSUASYEJLLWOT-YQVWRLOYSA-N 1 3 359.514 2.616 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H](C[C@H]3COCCN3)c3ccccc32)C1 ZINC001342875842 1051484943 /nfs/dbraw/zinc/48/49/43/1051484943.db2.gz OTJPROLDEMWSOH-FHWLQOOXSA-N 1 3 371.525 2.617 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H](C[C@H]3COCCN3)c3ccccc32)C1 ZINC001342875842 1051484951 /nfs/dbraw/zinc/48/49/51/1051484951.db2.gz OTJPROLDEMWSOH-FHWLQOOXSA-N 1 3 371.525 2.617 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001304856149 1051741076 /nfs/dbraw/zinc/74/10/76/1051741076.db2.gz KUBHZPCWWVOQEQ-GOSISDBHSA-N 1 3 374.577 2.916 20 0 FFADHO CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@H+](C)C(C)C ZINC001306207568 1052064066 /nfs/dbraw/zinc/06/40/66/1052064066.db2.gz NTSAJRIFEZVBMD-UHFFFAOYSA-N 1 3 364.582 2.739 20 0 FFADHO CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC[N@@H+](C)C(C)C ZINC001306207568 1052064082 /nfs/dbraw/zinc/06/40/82/1052064082.db2.gz NTSAJRIFEZVBMD-UHFFFAOYSA-N 1 3 364.582 2.739 20 0 FFADHO CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001542679175 1071279994 /nfs/dbraw/zinc/27/99/94/1071279994.db2.gz RVVLOGRBSWWQJR-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H](C[C@@H]3COCCN3)c3ccccc32)cc1 ZINC001345193985 1052312405 /nfs/dbraw/zinc/31/24/05/1052312405.db2.gz XSDVGRVOIGLPIL-ZYSHUDEJSA-N 1 3 365.477 2.829 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CNCc3cn4ccccc4n3)cc2)CC1 ZINC001308202850 1052431095 /nfs/dbraw/zinc/43/10/95/1052431095.db2.gz LGLZUICUNWFBNO-UHFFFAOYSA-N 1 3 363.509 2.762 20 0 FFADHO COc1cc([C@H](C)[NH2+][C@H]2CCN(C)C(C)(C)C2)ccc1S(C)(=O)=O ZINC001308552087 1052468977 /nfs/dbraw/zinc/46/89/77/1052468977.db2.gz PWOYPUCDKRDJKV-ZFWWWQNUSA-N 1 3 354.516 2.622 20 0 FFADHO COC(=O)[C@H]1[C@H](CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1(F)F ZINC001308592971 1052474538 /nfs/dbraw/zinc/47/45/38/1052474538.db2.gz XORSTCXCONLBRA-ZWKOTPCHSA-N 1 3 366.452 2.885 20 0 FFADHO COC(=O)[C@H]1[C@H](CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1(F)F ZINC001308592971 1052474541 /nfs/dbraw/zinc/47/45/41/1052474541.db2.gz XORSTCXCONLBRA-ZWKOTPCHSA-N 1 3 366.452 2.885 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](N)C2CCCCC2)c1 ZINC001346102734 1052749399 /nfs/dbraw/zinc/74/93/99/1052749399.db2.gz AOEVLCBQECZAJW-LJQANCHMSA-N 1 3 374.529 2.604 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC[C@H](Cc4ccccc4)C3=O)C[C@H]2C1 ZINC001335251890 1053270771 /nfs/dbraw/zinc/27/07/71/1053270771.db2.gz GGWCKWNUNHMWRM-XRXFAXGQSA-N 1 3 355.526 2.697 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)C12CCOCC2 ZINC001336255185 1053872975 /nfs/dbraw/zinc/87/29/75/1053872975.db2.gz ZEHHRFHJJUJRMY-DLBZAZTESA-N 1 3 367.534 2.524 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CCC[N@H+](CC4CC4)C3)c2cc1C ZINC001336797865 1054236368 /nfs/dbraw/zinc/23/63/68/1054236368.db2.gz FTYIXXXMFSNRNH-PMACEKPBSA-N 1 3 370.541 2.726 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CCC[N@@H+](CC4CC4)C3)c2cc1C ZINC001336797865 1054236377 /nfs/dbraw/zinc/23/63/77/1054236377.db2.gz FTYIXXXMFSNRNH-PMACEKPBSA-N 1 3 370.541 2.726 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC2)CC1 ZINC001336872523 1054305411 /nfs/dbraw/zinc/30/54/11/1054305411.db2.gz YXTPLVNQYFYSCU-FQEVSTJZSA-N 1 3 370.541 2.628 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001543802707 1071548836 /nfs/dbraw/zinc/54/88/36/1071548836.db2.gz IKAMKSSRKORENT-HXUWFJFHSA-N 1 3 372.557 2.885 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)C1 ZINC001543802707 1071548841 /nfs/dbraw/zinc/54/88/41/1071548841.db2.gz IKAMKSSRKORENT-HXUWFJFHSA-N 1 3 372.557 2.885 20 0 FFADHO [NH2+]=C(NCc1ccc(CO)c(F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000848994345 1055484280 /nfs/dbraw/zinc/48/42/80/1055484280.db2.gz OWEFHWJWXIPVLQ-UHFFFAOYSA-N 1 3 370.472 2.597 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@]12CC[NH2+]C2)c1cccc(OC)c1 ZINC001338436256 1055512225 /nfs/dbraw/zinc/51/22/25/1055512225.db2.gz KFZZRANBCZTJMR-CTNGQTDRSA-N 1 3 374.529 2.616 20 0 FFADHO CCCCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1OC ZINC000849057972 1055609812 /nfs/dbraw/zinc/60/98/12/1055609812.db2.gz HJBCLUORSSJMDB-KRWDZBQOSA-N 1 3 362.518 2.972 20 0 FFADHO CCC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000849093040 1055636367 /nfs/dbraw/zinc/63/63/67/1055636367.db2.gz GJUKUYRABMYTIV-UHFFFAOYSA-N 1 3 358.530 2.972 20 0 FFADHO C[C@@](O)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000849093246 1055637285 /nfs/dbraw/zinc/63/72/85/1055637285.db2.gz UDSAFNZOTOAXCO-HXUWFJFHSA-N 1 3 372.538 2.734 20 0 FFADHO CN(CC(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2)CC(C)(C)C ZINC001358314941 1056245580 /nfs/dbraw/zinc/24/55/80/1056245580.db2.gz PBQJCHHCLQYGSH-QGZVFWFLSA-N 1 3 359.514 2.808 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(OC)c3F)CC2)CC1 ZINC000847746705 1056524429 /nfs/dbraw/zinc/52/44/29/1056524429.db2.gz BQTINOZLZDDLKV-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO CC1(C)CCC[C@@]1(O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849113907 1056767349 /nfs/dbraw/zinc/76/73/49/1056767349.db2.gz NAIREJJNLFKNCN-OAQYLSRUSA-N 1 3 358.530 2.706 20 0 FFADHO Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)no1 ZINC000634724906 1056829842 /nfs/dbraw/zinc/82/98/42/1056829842.db2.gz ZVNZIRZBFISUKS-MAUKXSAKSA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000634724906 1056829848 /nfs/dbraw/zinc/82/98/48/1056829848.db2.gz ZVNZIRZBFISUKS-MAUKXSAKSA-N 1 3 356.470 2.669 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000634724906 1056829857 /nfs/dbraw/zinc/82/98/57/1056829857.db2.gz ZVNZIRZBFISUKS-MAUKXSAKSA-N 1 3 356.470 2.669 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2sccc2Cl)C2CC2)CC[N@@H+]1C ZINC001498761913 1058172521 /nfs/dbraw/zinc/17/25/21/1058172521.db2.gz XKFZYDPLHIHOMB-KYOSRNDESA-N 1 3 355.935 2.726 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2sccc2Cl)C2CC2)CC[N@H+]1C ZINC001498761913 1058172527 /nfs/dbraw/zinc/17/25/27/1058172527.db2.gz XKFZYDPLHIHOMB-KYOSRNDESA-N 1 3 355.935 2.726 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001545548769 1071798170 /nfs/dbraw/zinc/79/81/70/1071798170.db2.gz NYPRHJSHVAQLBU-SFHVURJKSA-N 1 3 374.577 2.952 20 0 FFADHO CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2CCN2CC=CCC2)CC1 ZINC001514896250 1059142246 /nfs/dbraw/zinc/14/22/46/1059142246.db2.gz ADGYBRIOYMOXAP-UHFFFAOYSA-N 1 3 374.577 2.974 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c(CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001514980329 1059186889 /nfs/dbraw/zinc/18/68/89/1059186889.db2.gz JMDIWWRMTZTBDV-IBGZPJMESA-N 1 3 374.577 2.780 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c(CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001514980329 1059186895 /nfs/dbraw/zinc/18/68/95/1059186895.db2.gz JMDIWWRMTZTBDV-IBGZPJMESA-N 1 3 374.577 2.780 20 0 FFADHO C[C@H]([NH3+])C1(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)CCOCC1 ZINC001354620467 1059261750 /nfs/dbraw/zinc/26/17/50/1059261750.db2.gz AHHAOWLSHYRACX-ICSRJNTNSA-N 1 3 373.541 2.644 20 0 FFADHO CC(C)Oc1cccc([C@H](O)CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000848527834 1060223676 /nfs/dbraw/zinc/22/36/76/1060223676.db2.gz IPONHHCZRYLZJO-NHCUHLMSSA-N 1 3 362.514 2.740 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001547634863 1071979633 /nfs/dbraw/zinc/97/96/33/1071979633.db2.gz AOMGUQSRHSBSLJ-FUHIMQAGSA-N 1 3 370.545 2.808 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001547646581 1071983734 /nfs/dbraw/zinc/98/37/34/1071983734.db2.gz AUDXCMFCMCMFEP-SJORKVTESA-N 1 3 374.577 2.634 20 0 FFADHO CC[C@H](C)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001512860867 1060731864 /nfs/dbraw/zinc/73/18/64/1060731864.db2.gz KCBRTRONLRZSDO-BZSNNMDCSA-N 1 3 362.566 2.806 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001477302505 1061663721 /nfs/dbraw/zinc/66/37/21/1061663721.db2.gz SRBSOUNKZXJCNL-QGZVFWFLSA-N 1 3 367.497 2.921 20 0 FFADHO CCOc1cc(CNC[C@H]2C[NH+]3CCC2CC3)cc(Br)c1O ZINC001462637197 1061702435 /nfs/dbraw/zinc/70/24/35/1061702435.db2.gz QZJFFELTEGKGPL-AWEZNQCLSA-N 1 3 369.303 2.985 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001477865541 1061824347 /nfs/dbraw/zinc/82/43/47/1061824347.db2.gz PZLSJXVCDDCYEW-FQEVSTJZSA-N 1 3 367.497 2.921 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001477865541 1061824368 /nfs/dbraw/zinc/82/43/68/1061824368.db2.gz PZLSJXVCDDCYEW-FQEVSTJZSA-N 1 3 367.497 2.921 20 0 FFADHO CC(C)[N@H+](C)CCCn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360100499 1061893728 /nfs/dbraw/zinc/89/37/28/1061893728.db2.gz NWLVJNYCIIOADZ-UHFFFAOYSA-N 1 3 362.566 2.806 20 0 FFADHO CC(C)[N@@H+](C)CCCn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360100499 1061893740 /nfs/dbraw/zinc/89/37/40/1061893740.db2.gz NWLVJNYCIIOADZ-UHFFFAOYSA-N 1 3 362.566 2.806 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC001478704287 1062089624 /nfs/dbraw/zinc/08/96/24/1062089624.db2.gz YHERRQYQPKLQBK-SJLPKXTDSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC001478704287 1062089647 /nfs/dbraw/zinc/08/96/47/1062089647.db2.gz YHERRQYQPKLQBK-SJLPKXTDSA-N 1 3 364.559 2.747 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC001479157069 1062259302 /nfs/dbraw/zinc/25/93/02/1062259302.db2.gz SSDFAVYGSCPVPP-SFTDATJTSA-N 1 3 370.541 2.839 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)C1)C1CCC1 ZINC001479453416 1062420333 /nfs/dbraw/zinc/42/03/33/1062420333.db2.gz CEWUWANDKLPVRM-GOEBONIOSA-N 1 3 365.468 2.824 20 0 FFADHO CCc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001479475973 1062452964 /nfs/dbraw/zinc/45/29/64/1062452964.db2.gz NWYYDKRJTGOJRP-DZFGPLHGSA-N 1 3 357.542 2.965 20 0 FFADHO CCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccc(OC)cc1 ZINC001479751415 1062988823 /nfs/dbraw/zinc/98/88/23/1062988823.db2.gz RPSOYTRPQBELMG-VQTJNVASSA-N 1 3 370.497 2.735 20 0 FFADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1cc(C)ccc1OC ZINC001494983423 1063421496 /nfs/dbraw/zinc/42/14/96/1063421496.db2.gz NMXWFFBQMOSRJX-GBESFXJTSA-N 1 3 361.530 2.718 20 0 FFADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1cc(C)ccc1OC ZINC001494983423 1063421508 /nfs/dbraw/zinc/42/15/08/1063421508.db2.gz NMXWFFBQMOSRJX-GBESFXJTSA-N 1 3 361.530 2.718 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCc3ccccc3)CCN(C)C)C[N@@H+]2C1 ZINC001441721612 1063468274 /nfs/dbraw/zinc/46/82/74/1063468274.db2.gz DBBRHTSMJQEIDV-HLAWJBBLSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCc3ccccc3)CCN(C)C)C[N@H+]2C1 ZINC001441721612 1063468282 /nfs/dbraw/zinc/46/82/82/1063468282.db2.gz DBBRHTSMJQEIDV-HLAWJBBLSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001467845666 1063866823 /nfs/dbraw/zinc/86/68/23/1063866823.db2.gz JSZZVDGYWFBHAM-INMHGKMJSA-N 1 3 351.922 2.974 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)c1 ZINC001468030223 1063914307 /nfs/dbraw/zinc/91/43/07/1063914307.db2.gz AYAUKCSZHPZTEE-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)N2CCCC2)c1 ZINC001468030223 1063914313 /nfs/dbraw/zinc/91/43/13/1063914313.db2.gz AYAUKCSZHPZTEE-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC001468143194 1063932808 /nfs/dbraw/zinc/93/28/08/1063932808.db2.gz NQFHRDIGSCRUQC-CTNGQTDRSA-N 1 3 372.557 2.991 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC001469895031 1064224402 /nfs/dbraw/zinc/22/44/02/1064224402.db2.gz KLVJEVTXNPZGJE-RTWAWAEBSA-N 1 3 355.526 2.779 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC001469895031 1064224411 /nfs/dbraw/zinc/22/44/11/1064224411.db2.gz KLVJEVTXNPZGJE-RTWAWAEBSA-N 1 3 355.526 2.779 20 0 FFADHO CC(C)c1nnc(N2CCC(C[NH3+])CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001575889266 1078173600 /nfs/dbraw/zinc/17/36/00/1078173600.db2.gz XWLIETKQDNRNAY-IBGZPJMESA-N 1 3 370.545 2.880 20 0 FFADHO O[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)CC1(O)CCCCC1 ZINC001473807116 1065370716 /nfs/dbraw/zinc/37/07/16/1065370716.db2.gz JCBWVKGCFZXOMV-BHIFYINESA-N 1 3 372.553 2.887 20 0 FFADHO O[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)CC1(O)CCCCC1 ZINC001473807116 1065370725 /nfs/dbraw/zinc/37/07/25/1065370725.db2.gz JCBWVKGCFZXOMV-BHIFYINESA-N 1 3 372.553 2.887 20 0 FFADHO CC[NH+]1CCC(CNCc2ccc(OC)c(O)c2Br)CC1 ZINC001473987937 1065434904 /nfs/dbraw/zinc/43/49/04/1065434904.db2.gz VWHZCQNLRZKACJ-UHFFFAOYSA-N 1 3 357.292 2.985 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC001576309699 1078214085 /nfs/dbraw/zinc/21/40/85/1078214085.db2.gz CMUIJVOWNLPLCK-IEBWSBKVSA-N 1 3 356.514 2.750 20 0 FFADHO CC1CCC(N(C)c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCC2)CC1 ZINC001576657029 1078257907 /nfs/dbraw/zinc/25/79/07/1078257907.db2.gz LSUXAEADUBUORD-ABHNRTSZSA-N 1 3 360.550 2.813 20 0 FFADHO CCC(CC)(C[NH3+])NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001577051912 1078298379 /nfs/dbraw/zinc/29/83/79/1078298379.db2.gz FXLFUOHPHILMMQ-INIZCTEOSA-N 1 3 353.457 2.778 20 0 FFADHO CCC[NH2+]CCn1c([C@@H](C)CC)nnc1N1CCN(CC(C)C)CC1 ZINC001577565567 1078377563 /nfs/dbraw/zinc/37/75/63/1078377563.db2.gz ZDUPLQWURGNXPU-KRWDZBQOSA-N 1 3 350.555 2.569 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccsc1 ZINC001577680935 1078387284 /nfs/dbraw/zinc/38/72/84/1078387284.db2.gz IBTVVCVPZMEDGM-JFIYKMOQSA-N 1 3 350.532 2.654 20 0 FFADHO CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC001578408394 1078470591 /nfs/dbraw/zinc/47/05/91/1078470591.db2.gz KVQHFJYCWWYDKO-ROUUACIJSA-N 1 3 370.545 2.707 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC001579025949 1078565346 /nfs/dbraw/zinc/56/53/46/1078565346.db2.gz JZZGARFSZMVPRF-UHFFFAOYSA-N 1 3 359.514 2.500 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC001579025949 1078565354 /nfs/dbraw/zinc/56/53/54/1078565354.db2.gz JZZGARFSZMVPRF-UHFFFAOYSA-N 1 3 359.514 2.500 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN[C@@H](C(C)C)C2)CC1 ZINC001579800123 1078686145 /nfs/dbraw/zinc/68/61/45/1078686145.db2.gz LMUWIVBMMHYRHM-HXUWFJFHSA-N 1 3 358.530 2.599 20 0 FFADHO Clc1ccc([C@@H]2OCC[C@H]2NCc2ccc(N3CC[NH2+]CC3)o2)cc1 ZINC001579938976 1078722173 /nfs/dbraw/zinc/72/21/73/1078722173.db2.gz PYXLRMLIJNHQDE-MJGOQNOKSA-N 1 3 361.873 2.962 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)c2)nn1 ZINC001580349341 1078789970 /nfs/dbraw/zinc/78/99/70/1078789970.db2.gz UCIBHQLRQVBITQ-KRWDZBQOSA-N 1 3 355.486 2.698 20 0 FFADHO CCN(C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001550291102 1074200424 /nfs/dbraw/zinc/20/04/24/1074200424.db2.gz LIKXZHHPNYOOFR-VTHDOGFWSA-N 1 3 370.541 2.823 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc4ccccc4[nH]c3=O)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422816 1074260647 /nfs/dbraw/zinc/26/06/47/1074260647.db2.gz DGNRBRULXIMQPR-DYQZNNLLSA-N 1 3 369.509 2.900 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc4ccccc4[nH]c3=O)[C@@H](O)C2)[C@H]1C(C)C ZINC001550422816 1074260652 /nfs/dbraw/zinc/26/06/52/1074260652.db2.gz DGNRBRULXIMQPR-DYQZNNLLSA-N 1 3 369.509 2.900 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCC4(C[C@H]4[NH3+])CC3)C2)cc1 ZINC001550750824 1074456878 /nfs/dbraw/zinc/45/68/78/1074456878.db2.gz MDFWGFOYCLLFAL-XTBIFASLSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)NC[C@H]1Cc2ccccc2CN1)C1CC[NH+](C(C)(C)C)CC1 ZINC001550757906 1074457858 /nfs/dbraw/zinc/45/78/58/1074457858.db2.gz QYAAHVXSPUCKKK-GOSISDBHSA-N 1 3 358.530 2.605 20 0 FFADHO O=C(NC[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cc2c(s1)CCNC2 ZINC001552431024 1075074582 /nfs/dbraw/zinc/07/45/82/1075074582.db2.gz ZYHZNZGRJLFJFN-RDJZCZTQSA-N 1 3 373.497 2.656 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553421736 1075304142 /nfs/dbraw/zinc/30/41/42/1075304142.db2.gz WUMLMZJIJUWTEQ-IXDOHACOSA-N 1 3 362.543 2.669 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553448406 1075311152 /nfs/dbraw/zinc/31/11/52/1075311152.db2.gz MBHBRRCPHIGEQP-PWRODBHTSA-N 1 3 370.541 2.997 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCCSC[C@H]1C1CC1)c1ccccc1 ZINC001560188630 1076243502 /nfs/dbraw/zinc/24/35/02/1076243502.db2.gz QJNPDJYJGOOFGD-OALUTQOASA-N 1 3 361.555 2.623 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCCSC[C@H]1C1CC1)c1ccccc1 ZINC001560188630 1076243504 /nfs/dbraw/zinc/24/35/04/1076243504.db2.gz QJNPDJYJGOOFGD-OALUTQOASA-N 1 3 361.555 2.623 20 0 FFADHO C[C@@H](C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1)CN(C)C ZINC001560487744 1076276021 /nfs/dbraw/zinc/27/60/21/1076276021.db2.gz LMQMFXKJTAZUDP-HNNXBMFYSA-N 1 3 350.894 2.903 20 0 FFADHO COCC[C@H](C[N@@H+]1CCCC[C@H]1[C@@H](C)CN(C)C)NC(=O)OC(C)(C)C ZINC001560947608 1076313052 /nfs/dbraw/zinc/31/30/52/1076313052.db2.gz CQGWLCJDYLFOIV-KSZLIROESA-N 1 3 371.566 2.968 20 0 FFADHO COCC[C@H](C[N@H+]1CCCC[C@H]1[C@@H](C)CN(C)C)NC(=O)OC(C)(C)C ZINC001560947608 1076313055 /nfs/dbraw/zinc/31/30/55/1076313055.db2.gz CQGWLCJDYLFOIV-KSZLIROESA-N 1 3 371.566 2.968 20 0 FFADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001565915538 1076799739 /nfs/dbraw/zinc/79/97/39/1076799739.db2.gz ZCNFZROXEHIJID-WMLDXEAASA-N 1 3 353.457 2.681 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccnc(Cl)c1 ZINC001565975473 1076822447 /nfs/dbraw/zinc/82/24/47/1076822447.db2.gz BHMMILZMKCIIEF-WBVHZDCISA-N 1 3 366.937 2.794 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccnc(Cl)c1 ZINC001565975473 1076822450 /nfs/dbraw/zinc/82/24/50/1076822450.db2.gz BHMMILZMKCIIEF-WBVHZDCISA-N 1 3 366.937 2.794 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001566055194 1076882723 /nfs/dbraw/zinc/88/27/23/1076882723.db2.gz PAIKKJJRUVEVJY-KURKYZTESA-N 1 3 371.516 2.932 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001566055194 1076882730 /nfs/dbraw/zinc/88/27/30/1076882730.db2.gz PAIKKJJRUVEVJY-KURKYZTESA-N 1 3 371.516 2.932 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001566105507 1076909156 /nfs/dbraw/zinc/90/91/56/1076909156.db2.gz IEDJZCTYXMSEHQ-QYZOEREBSA-N 1 3 353.551 2.645 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001566105507 1076909160 /nfs/dbraw/zinc/90/91/60/1076909160.db2.gz IEDJZCTYXMSEHQ-QYZOEREBSA-N 1 3 353.551 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCCCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001566609959 1076971119 /nfs/dbraw/zinc/97/11/19/1076971119.db2.gz UALZQOFBDPTYAE-GDBMZVCRSA-N 1 3 363.468 2.982 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCCCC(F)(F)F)CC2)CC[N@H+]1C ZINC001566609959 1076971121 /nfs/dbraw/zinc/97/11/21/1076971121.db2.gz UALZQOFBDPTYAE-GDBMZVCRSA-N 1 3 363.468 2.982 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2cncs2)C(C)C)CC[N@@H+]1C ZINC001567642291 1077041161 /nfs/dbraw/zinc/04/11/61/1077041161.db2.gz MVNRJLDFOXRYRX-DLBZAZTESA-N 1 3 352.548 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2cncs2)C(C)C)CC[N@H+]1C ZINC001567642291 1077041165 /nfs/dbraw/zinc/04/11/65/1077041165.db2.gz MVNRJLDFOXRYRX-DLBZAZTESA-N 1 3 352.548 2.590 20 0 FFADHO C[C@H](CN(C)Cc1ccc(C(F)F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569118737 1077129936 /nfs/dbraw/zinc/12/99/36/1077129936.db2.gz VMYRHLXWXIRMHX-CKEIUWERSA-N 1 3 353.457 2.901 20 0 FFADHO C[C@H](CN(C)Cc1ccc(C(F)F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569118737 1077129937 /nfs/dbraw/zinc/12/99/37/1077129937.db2.gz VMYRHLXWXIRMHX-CKEIUWERSA-N 1 3 353.457 2.901 20 0 FFADHO CC1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001590273114 1081134732 /nfs/dbraw/zinc/13/47/32/1081134732.db2.gz ZYMOWAYXBLDRKW-IBGZPJMESA-N 1 3 354.502 2.956 20 0 FFADHO CC1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001590273114 1081134735 /nfs/dbraw/zinc/13/47/35/1081134735.db2.gz ZYMOWAYXBLDRKW-IBGZPJMESA-N 1 3 354.502 2.956 20 0 FFADHO Cn1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000093735163 250041837 /nfs/dbraw/zinc/04/18/37/250041837.db2.gz CJOJURHVOFNSMP-UHFFFAOYSA-N 1 3 369.513 2.559 20 0 FFADHO Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108421006 250313935 /nfs/dbraw/zinc/31/39/35/250313935.db2.gz DCEYTSRKMYWYPO-NRFANRHFSA-N 1 3 351.494 2.982 20 0 FFADHO Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108421006 250313938 /nfs/dbraw/zinc/31/39/38/250313938.db2.gz DCEYTSRKMYWYPO-NRFANRHFSA-N 1 3 351.494 2.982 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000268827945 251397488 /nfs/dbraw/zinc/39/74/88/251397488.db2.gz PXEWSTSSNNXTOO-IRLDBZIGSA-N 1 3 358.574 2.514 20 0 FFADHO [NH3+]C[C@@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1 ZINC000269231778 251399298 /nfs/dbraw/zinc/39/92/98/251399298.db2.gz DEEQHUBMYMRNKV-OAQYLSRUSA-N 1 3 367.493 2.572 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)N1[C@H](C)CC[C@H]1C ZINC000268770846 251379538 /nfs/dbraw/zinc/37/95/38/251379538.db2.gz BIRWBMSLLRNCAS-ZACQAIPSSA-N 1 3 373.545 2.812 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272319560 252008533 /nfs/dbraw/zinc/00/85/33/252008533.db2.gz TZFWHESPMJQKJS-IEBWSBKVSA-N 1 3 374.529 2.965 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272420075 252034942 /nfs/dbraw/zinc/03/49/42/252034942.db2.gz BHNBJDBTBGQPGE-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272420075 252034945 /nfs/dbraw/zinc/03/49/45/252034945.db2.gz BHNBJDBTBGQPGE-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC3(C)CC[NH+](C)CC3)cc2)CC1 ZINC000272511659 252055954 /nfs/dbraw/zinc/05/59/54/252055954.db2.gz JCWIKBUFLQFXBS-UHFFFAOYSA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272603373 252077875 /nfs/dbraw/zinc/07/78/75/252077875.db2.gz XZEJAVUMVJRQMW-ICSRJNTNSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272603373 252077879 /nfs/dbraw/zinc/07/78/79/252077879.db2.gz XZEJAVUMVJRQMW-ICSRJNTNSA-N 1 3 360.546 2.879 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276716152 256123717 /nfs/dbraw/zinc/12/37/17/256123717.db2.gz XDSTWQJCYIACOR-UHFFFAOYSA-N 1 3 363.505 2.769 20 0 FFADHO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2CCN(C3CC3)CC2)cc1 ZINC000278493326 256318893 /nfs/dbraw/zinc/31/88/93/256318893.db2.gz PTZKEKOVLGDYCZ-MRXNPFEDSA-N 1 3 350.528 2.621 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000278605327 256330231 /nfs/dbraw/zinc/33/02/31/256330231.db2.gz RBUWDWBMEDHYSO-ZWKOTPCHSA-N 1 3 359.514 2.965 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000278605327 256330233 /nfs/dbraw/zinc/33/02/33/256330233.db2.gz RBUWDWBMEDHYSO-ZWKOTPCHSA-N 1 3 359.514 2.965 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3ccnn3-c3ccccc3)CC2)CC1 ZINC000279235338 256396338 /nfs/dbraw/zinc/39/63/38/256396338.db2.gz ZGLBKEUDRCXQKA-UHFFFAOYSA-N 1 3 353.514 2.521 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287804427 257115140 /nfs/dbraw/zinc/11/51/40/257115140.db2.gz JDCPASTUPIDKNO-VDGAXYAQSA-N 1 3 361.530 2.587 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000287857623 257121745 /nfs/dbraw/zinc/12/17/45/257121745.db2.gz XDNKVMNTOVMDSF-AEFFLSMTSA-N 1 3 372.431 2.843 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000287872041 257124142 /nfs/dbraw/zinc/12/41/42/257124142.db2.gz AVDGIZNHPNILAJ-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000287872041 257124144 /nfs/dbraw/zinc/12/41/44/257124144.db2.gz AVDGIZNHPNILAJ-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288377412 257181603 /nfs/dbraw/zinc/18/16/03/257181603.db2.gz LKVBWHLMKWXBPT-YLJYHZDGSA-N 1 3 371.529 2.566 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000288599820 257210369 /nfs/dbraw/zinc/21/03/69/257210369.db2.gz YNQIMCWNJUOUQK-GHTZIAJQSA-N 1 3 355.526 2.984 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)CC1 ZINC000289495394 257284171 /nfs/dbraw/zinc/28/41/71/257284171.db2.gz SETCZZRXJUHJKA-UHFFFAOYSA-N 1 3 353.514 2.536 20 0 FFADHO CCOc1ccccc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000289670871 257293017 /nfs/dbraw/zinc/29/30/17/257293017.db2.gz DKRRCIFLTKJCTA-UHFFFAOYSA-N 1 3 373.541 2.899 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)nc1 ZINC000290747829 257355780 /nfs/dbraw/zinc/35/57/80/257355780.db2.gz QNWIIZCFTMOERS-RCBQFDQVSA-N 1 3 368.319 2.873 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333168581 258253535 /nfs/dbraw/zinc/25/35/35/258253535.db2.gz HTCMGCUESKIMRC-MLZLACJZSA-N 1 3 370.541 2.584 20 0 FFADHO COc1cccc(C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C2CC2)c1 ZINC000370982818 512163980 /nfs/dbraw/zinc/16/39/80/512163980.db2.gz RQKVXQYWXBCARR-UGKGYDQZSA-N 1 3 357.542 2.774 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000373102947 512172498 /nfs/dbraw/zinc/17/24/98/512172498.db2.gz XPBKSAWZBFKOFB-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000375207282 512211902 /nfs/dbraw/zinc/21/19/02/512211902.db2.gz JRSNVASNDNHJQX-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC000375207282 512211906 /nfs/dbraw/zinc/21/19/06/512211906.db2.gz JRSNVASNDNHJQX-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885050 506680480 /nfs/dbraw/zinc/68/04/80/506680480.db2.gz CYWLZGQKPGWVQV-QGZVFWFLSA-N 1 3 373.541 2.691 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000043238277 506719518 /nfs/dbraw/zinc/71/95/18/506719518.db2.gz NDLRBVSZDUIYSC-LJQANCHMSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000043238277 506719525 /nfs/dbraw/zinc/71/95/25/506719525.db2.gz NDLRBVSZDUIYSC-LJQANCHMSA-N 1 3 356.514 2.531 20 0 FFADHO CCCOc1c(Cl)cc(CNCCN2CC[NH2+]CC2)cc1OCC ZINC000020968593 507239841 /nfs/dbraw/zinc/23/98/41/507239841.db2.gz CMHZVWKOOUGPFU-UHFFFAOYSA-N 1 3 355.910 2.522 20 0 FFADHO CCN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000047979289 507428098 /nfs/dbraw/zinc/42/80/98/507428098.db2.gz IVPFFRQTWIDSNQ-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000069414445 507486996 /nfs/dbraw/zinc/48/69/96/507486996.db2.gz NQBWIXPCSBPBKN-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000069414445 507487002 /nfs/dbraw/zinc/48/70/02/507487002.db2.gz NQBWIXPCSBPBKN-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)N1CCCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000069770843 507554998 /nfs/dbraw/zinc/55/49/98/507554998.db2.gz ITGDIAPXBBWVBI-KDURUIRLSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)N1CCCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000069770843 507555008 /nfs/dbraw/zinc/55/50/08/507555008.db2.gz ITGDIAPXBBWVBI-KDURUIRLSA-N 1 3 352.567 2.870 20 0 FFADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000061115669 507597515 /nfs/dbraw/zinc/59/75/15/507597515.db2.gz GNYWQOOYQDYGMY-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000369316638 512348927 /nfs/dbraw/zinc/34/89/27/512348927.db2.gz RCPASTFUODNOAD-PZJWPPBQSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000369316638 512348932 /nfs/dbraw/zinc/34/89/32/512348932.db2.gz RCPASTFUODNOAD-PZJWPPBQSA-N 1 3 370.541 2.919 20 0 FFADHO Cc1cccc(OCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050801753 507715025 /nfs/dbraw/zinc/71/50/25/507715025.db2.gz KJKXWMKZGGWGQT-UHFFFAOYSA-N 1 3 373.541 2.829 20 0 FFADHO Cc1cc(C)cc(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050803212 507716077 /nfs/dbraw/zinc/71/60/77/507716077.db2.gz OLNNTXVZCHQVDA-UHFFFAOYSA-N 1 3 373.541 2.747 20 0 FFADHO Cc1ccccc1[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758562 507783609 /nfs/dbraw/zinc/78/36/09/507783609.db2.gz ZYKZIYXPAOBDDY-QGZVFWFLSA-N 1 3 358.530 2.914 20 0 FFADHO CN(CCOc1ccc(F)cc1Cl)CCN(C)C1CC[NH+](C)CC1 ZINC000089269397 507825707 /nfs/dbraw/zinc/82/57/07/507825707.db2.gz YYTFWEDKBBBYEP-UHFFFAOYSA-N 1 3 357.901 2.816 20 0 FFADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000090028478 507903222 /nfs/dbraw/zinc/90/32/22/507903222.db2.gz WZSVKEYKHJZBPU-KRWDZBQOSA-N 1 3 352.482 2.758 20 0 FFADHO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038567 507903820 /nfs/dbraw/zinc/90/38/20/507903820.db2.gz SOFKYJUCMPTTNL-OAHLLOKOSA-N 1 3 351.560 2.988 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000073491328 507924656 /nfs/dbraw/zinc/92/46/56/507924656.db2.gz DRXKQPUAHOSILN-HXUWFJFHSA-N 1 3 360.546 2.581 20 0 FFADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([S@@](C)=O)cc1 ZINC000090525997 507925948 /nfs/dbraw/zinc/92/59/48/507925948.db2.gz VARICFYMPJAFQF-SDMYACPNSA-N 1 3 364.555 2.843 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000073498332 507926403 /nfs/dbraw/zinc/92/64/03/507926403.db2.gz WSCFRAGEGJXPJY-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000073498332 507926405 /nfs/dbraw/zinc/92/64/05/507926405.db2.gz WSCFRAGEGJXPJY-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(OCCN(C)C)cc1 ZINC000090802066 507936797 /nfs/dbraw/zinc/93/67/97/507936797.db2.gz BQKMFAPEARNDGX-MJGOQNOKSA-N 1 3 354.498 2.952 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000079167158 507939519 /nfs/dbraw/zinc/93/95/19/507939519.db2.gz XFENGUMOURWIET-IBGZPJMESA-N 1 3 372.557 2.867 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000079310594 507952492 /nfs/dbraw/zinc/95/24/92/507952492.db2.gz ZCUSZUSSBZOFEW-PXNSSMCTSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000079310594 507952494 /nfs/dbraw/zinc/95/24/94/507952494.db2.gz ZCUSZUSSBZOFEW-PXNSSMCTSA-N 1 3 356.514 2.607 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000080063560 508033242 /nfs/dbraw/zinc/03/32/42/508033242.db2.gz UCTAXAMQMWTPEI-UHFFFAOYSA-N 1 3 350.551 2.671 20 0 FFADHO CC[NH+]1CCC(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000110609985 508036899 /nfs/dbraw/zinc/03/68/99/508036899.db2.gz YCKMCQHNZOSDTL-SFHVURJKSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074857411 508063008 /nfs/dbraw/zinc/06/30/08/508063008.db2.gz FDNRIZBZKORYKE-SFTDATJTSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074857411 508063009 /nfs/dbraw/zinc/06/30/09/508063009.db2.gz FDNRIZBZKORYKE-SFTDATJTSA-N 1 3 372.557 2.533 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000092488893 508074515 /nfs/dbraw/zinc/07/45/15/508074515.db2.gz IGJZATNLEQAZOF-UHFFFAOYSA-N 1 3 361.534 2.670 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000092488893 508074516 /nfs/dbraw/zinc/07/45/16/508074516.db2.gz IGJZATNLEQAZOF-UHFFFAOYSA-N 1 3 361.534 2.670 20 0 FFADHO CCC[NH+]1CCC(N(C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000111241155 508081841 /nfs/dbraw/zinc/08/18/41/508081841.db2.gz BSBPKAJPLABQDV-UHFFFAOYSA-N 1 3 357.498 2.869 20 0 FFADHO CN(c1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000371401971 512378888 /nfs/dbraw/zinc/37/88/88/512378888.db2.gz SZGVYWVDPQNDTK-KNQAVFIVSA-N 1 3 373.541 2.645 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc2)CC1 ZINC000081732534 508207674 /nfs/dbraw/zinc/20/76/74/508207674.db2.gz UXWDZJOGISLODE-QGZVFWFLSA-N 1 3 360.546 2.535 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000085388405 508305082 /nfs/dbraw/zinc/30/50/82/508305082.db2.gz JQEUIQPTUPIRMM-PXNSSMCTSA-N 1 3 358.530 2.764 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000103298805 508305421 /nfs/dbraw/zinc/30/54/21/508305421.db2.gz ASIPSKHCHCARGF-FQEVSTJZSA-N 1 3 360.546 2.883 20 0 FFADHO CCCCOc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OCC ZINC000077450503 508317642 /nfs/dbraw/zinc/31/76/42/508317642.db2.gz GOKITPPRWLMBEV-UHFFFAOYSA-N 1 3 350.503 2.811 20 0 FFADHO Ic1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000088174374 508355712 /nfs/dbraw/zinc/35/57/12/508355712.db2.gz YELMGVSMGZUFAO-ZDUSSCGKSA-N 1 3 356.251 2.865 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000077721288 508359352 /nfs/dbraw/zinc/35/93/52/508359352.db2.gz VVMSSGHBWAVQAA-GOSISDBHSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]1CN1CCCCC1)C[NH+]1CCCCC1 ZINC000105167712 508363604 /nfs/dbraw/zinc/36/36/04/508363604.db2.gz WIWIGWZEENGZRN-RBUKOAKNSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000105198599 508365239 /nfs/dbraw/zinc/36/52/39/508365239.db2.gz DLBCVQXZCLNWGP-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077776644 508371983 /nfs/dbraw/zinc/37/19/83/508371983.db2.gz PSXQIZSALRLXCS-KRWDZBQOSA-N 1 3 364.534 2.736 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115354770 508387143 /nfs/dbraw/zinc/38/71/43/508387143.db2.gz OIKIQHAKDPUXBM-SFHVURJKSA-N 1 3 374.504 2.724 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115354770 508387146 /nfs/dbraw/zinc/38/71/46/508387146.db2.gz OIKIQHAKDPUXBM-SFHVURJKSA-N 1 3 374.504 2.724 20 0 FFADHO CC1CCC([NH+]2CCN(C[C@@H](O)CN(C)Cc3ccccc3)CC2)CC1 ZINC000115609421 508418458 /nfs/dbraw/zinc/41/84/58/508418458.db2.gz SNBWWZXAQBTBTP-VTLFHKLASA-N 1 3 359.558 2.676 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000156724108 508467984 /nfs/dbraw/zinc/46/79/84/508467984.db2.gz KDXRUWXLOXMQJM-HXUWFJFHSA-N 1 3 360.546 2.786 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000156724108 508467990 /nfs/dbraw/zinc/46/79/90/508467990.db2.gz KDXRUWXLOXMQJM-HXUWFJFHSA-N 1 3 360.546 2.786 20 0 FFADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(CO)c1 ZINC000122123736 508484705 /nfs/dbraw/zinc/48/47/05/508484705.db2.gz TZAOBECTOXRHBY-QGZVFWFLSA-N 1 3 354.494 2.986 20 0 FFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccc(CO)c1 ZINC000122123736 508484708 /nfs/dbraw/zinc/48/47/08/508484708.db2.gz TZAOBECTOXRHBY-QGZVFWFLSA-N 1 3 354.494 2.986 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157259686 508544023 /nfs/dbraw/zinc/54/40/23/508544023.db2.gz YLRLZJBFQVGBSG-SFTDATJTSA-N 1 3 372.557 2.819 20 0 FFADHO C[NH+](C)C[C@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000116750574 508554608 /nfs/dbraw/zinc/55/46/08/508554608.db2.gz KUJIQLYDYSYTNF-OAQYLSRUSA-N 1 3 372.557 2.532 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000153560537 508598296 /nfs/dbraw/zinc/59/82/96/508598296.db2.gz WHIPLBYYVCEGFL-IBGZPJMESA-N 1 3 373.541 2.937 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000153560537 508598298 /nfs/dbraw/zinc/59/82/98/508598298.db2.gz WHIPLBYYVCEGFL-IBGZPJMESA-N 1 3 373.541 2.937 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)NC2CCCCC2)[C@H](C)C1 ZINC000128681906 508628315 /nfs/dbraw/zinc/62/83/15/508628315.db2.gz VCHRWOCAZGUNDD-MJGOQNOKSA-N 1 3 353.551 2.552 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)NC2CCCCC2)[C@H](C)C1 ZINC000128681906 508628320 /nfs/dbraw/zinc/62/83/20/508628320.db2.gz VCHRWOCAZGUNDD-MJGOQNOKSA-N 1 3 353.551 2.552 20 0 FFADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CC3 ZINC000123078512 508632151 /nfs/dbraw/zinc/63/21/51/508632151.db2.gz OQDXVNURJFRIMG-QGZVFWFLSA-N 1 3 370.541 2.649 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000136376837 508690775 /nfs/dbraw/zinc/69/07/75/508690775.db2.gz NWYXUHPRMCLMIN-UHFFFAOYSA-N 1 3 367.896 2.696 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000136758699 508714609 /nfs/dbraw/zinc/71/46/09/508714609.db2.gz BDCXUXATBIGQDC-KRWDZBQOSA-N 1 3 355.530 2.971 20 0 FFADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000123651378 508720575 /nfs/dbraw/zinc/72/05/75/508720575.db2.gz GTSGEZYBIYLUEJ-HNNXBMFYSA-N 1 3 361.511 2.971 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000123880962 508751881 /nfs/dbraw/zinc/75/18/81/508751881.db2.gz UOSMHPMYEYLPQS-CTNGQTDRSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000123880962 508751885 /nfs/dbraw/zinc/75/18/85/508751885.db2.gz UOSMHPMYEYLPQS-CTNGQTDRSA-N 1 3 370.541 2.907 20 0 FFADHO CN1CCN(c2cc(CNC3CC[NH+](C4CCCCC4)CC3)ccn2)CC1 ZINC000159124038 508795378 /nfs/dbraw/zinc/79/53/78/508795378.db2.gz MHIXZUWDLCDZRR-UHFFFAOYSA-N 1 3 371.573 2.720 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1OC(F)(F)F ZINC000119800551 508865163 /nfs/dbraw/zinc/86/51/63/508865163.db2.gz IVEYVRGAOIRHBL-UHFFFAOYSA-N 1 3 362.396 2.542 20 0 FFADHO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000119861265 508878913 /nfs/dbraw/zinc/87/89/13/508878913.db2.gz AVJQBVZPHYIYIU-QRVBRYPASA-N 1 3 363.546 2.777 20 0 FFADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000155195622 508945771 /nfs/dbraw/zinc/94/57/71/508945771.db2.gz ZULQZVIIBIQQKO-QZTJIDSGSA-N 1 3 355.526 2.916 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000132120641 508997741 /nfs/dbraw/zinc/99/77/41/508997741.db2.gz BPNSLKMURLFDTB-MRXNPFEDSA-N 1 3 369.575 2.956 20 0 FFADHO C[C@H](OC1CCCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151480302 509025507 /nfs/dbraw/zinc/02/55/07/509025507.db2.gz INCDOANNUXLIRI-KRWDZBQOSA-N 1 3 365.562 2.789 20 0 FFADHO FC(F)(F)CN1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000151507408 509032056 /nfs/dbraw/zinc/03/20/56/509032056.db2.gz GNKHTDLLAQKUQA-SFHVURJKSA-N 1 3 355.448 2.920 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000155656652 509046524 /nfs/dbraw/zinc/04/65/24/509046524.db2.gz FDQISFOPCRGESM-MSOLQXFVSA-N 1 3 355.530 2.857 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CCCN(C)C3)CC2)CC1 ZINC000126137559 509066501 /nfs/dbraw/zinc/06/65/01/509066501.db2.gz CVXIOBNDMMQVLN-LMDPOFIKSA-N 1 3 350.551 2.671 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCN(C)C[C@@H]3C)CC2)cs1 ZINC000161782036 509152811 /nfs/dbraw/zinc/15/28/11/509152811.db2.gz REVRPZPFFHMXSM-YJBOKZPZSA-N 1 3 350.576 2.847 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)C2CCN(C)CC2)ccc1OC ZINC000172727738 509199895 /nfs/dbraw/zinc/19/98/95/509199895.db2.gz QOUBCJPGRPUKAN-UHFFFAOYSA-N 1 3 363.502 2.696 20 0 FFADHO CN1CCC[C@H]2C[N@H+](CCCCCn3nnc(-c4ccccc4)n3)CC[C@H]21 ZINC000247957904 509200548 /nfs/dbraw/zinc/20/05/48/509200548.db2.gz FVJOZYRUXVDVJN-VQTJNVASSA-N 1 3 368.529 2.927 20 0 FFADHO CN1CCC[C@H]2C[N@@H+](CCCCCn3nnc(-c4ccccc4)n3)CC[C@H]21 ZINC000247957904 509200552 /nfs/dbraw/zinc/20/05/52/509200552.db2.gz FVJOZYRUXVDVJN-VQTJNVASSA-N 1 3 368.529 2.927 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000176012726 509273414 /nfs/dbraw/zinc/27/34/14/509273414.db2.gz GWSWBKXSPSWYAK-GOSISDBHSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([S@@](C)=O)cc1 ZINC000248445064 509323788 /nfs/dbraw/zinc/32/37/88/509323788.db2.gz MJSLWAFGXXBPQO-CPTIDLKLSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([S@@](C)=O)cc1 ZINC000248445064 509323793 /nfs/dbraw/zinc/32/37/93/509323793.db2.gz MJSLWAFGXXBPQO-CPTIDLKLSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000176138234 509343040 /nfs/dbraw/zinc/34/30/40/509343040.db2.gz LKCSSYPYNYGCDS-KRWDZBQOSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000176138234 509343047 /nfs/dbraw/zinc/34/30/47/509343047.db2.gz LKCSSYPYNYGCDS-KRWDZBQOSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000267290861 509431082 /nfs/dbraw/zinc/43/10/82/509431082.db2.gz CASRTCGECTWRAE-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000267290861 509431085 /nfs/dbraw/zinc/43/10/85/509431085.db2.gz CASRTCGECTWRAE-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248766344 509477321 /nfs/dbraw/zinc/47/73/21/509477321.db2.gz GYKQAWZRLWSCNK-GHTZIAJQSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000248826210 509498508 /nfs/dbraw/zinc/49/85/08/509498508.db2.gz LYJDZWISRSIZBR-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248858126 509514827 /nfs/dbraw/zinc/51/48/27/509514827.db2.gz PLVWETNFQIGKEL-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000236884310 509524471 /nfs/dbraw/zinc/52/44/71/509524471.db2.gz NORIZMLLJGESNS-RTBURBONSA-N 1 3 359.514 2.584 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248888742 509530249 /nfs/dbraw/zinc/53/02/49/509530249.db2.gz ANMAXXYJEQBIAE-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CC[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236959575 509541387 /nfs/dbraw/zinc/54/13/87/509541387.db2.gz WNQRWZIWOJYWBY-UWJYYQICSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000176493231 509542002 /nfs/dbraw/zinc/54/20/02/509542002.db2.gz QOCZQQYMFRBZCM-APWZRJJASA-N 1 3 350.551 2.908 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000236998210 509547860 /nfs/dbraw/zinc/54/78/60/509547860.db2.gz SZYRIZUDTOIKRO-UHFFFAOYSA-N 1 3 367.559 2.680 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000176508759 509551035 /nfs/dbraw/zinc/55/10/35/509551035.db2.gz GZMDXORGRKEMLP-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000176508759 509551041 /nfs/dbraw/zinc/55/10/41/509551041.db2.gz GZMDXORGRKEMLP-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000237116750 509575906 /nfs/dbraw/zinc/57/59/06/509575906.db2.gz NWEGAABQMZYFJF-UHFFFAOYSA-N 1 3 366.509 2.865 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC[NH2+]CC1 ZINC000237153115 509583265 /nfs/dbraw/zinc/58/32/65/509583265.db2.gz JTSHVBZIGFGUDK-UHFFFAOYSA-N 1 3 357.420 2.595 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000237238402 509601137 /nfs/dbraw/zinc/60/11/37/509601137.db2.gz MOSLZCXSNSHGNE-RXVVDRJESA-N 1 3 357.542 2.788 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000176606552 509608036 /nfs/dbraw/zinc/60/80/36/509608036.db2.gz TWHRPYQNIYGPCV-IAGOWNOFSA-N 1 3 350.507 2.534 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCN4CCOCC4)[C@@H]3C2)cc1 ZINC000183125047 509612987 /nfs/dbraw/zinc/61/29/87/509612987.db2.gz DYZFPASMPZWVEX-BDTNDASRSA-N 1 3 357.542 2.599 20 0 FFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000168544623 509648052 /nfs/dbraw/zinc/64/80/52/509648052.db2.gz FQHCVGIDIIZPEJ-DNVCBOLYSA-N 1 3 360.502 2.813 20 0 FFADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168905894 509653320 /nfs/dbraw/zinc/65/33/20/509653320.db2.gz OBXUWTNSTAUTCO-SFHVURJKSA-N 1 3 359.514 2.782 20 0 FFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc21 ZINC000169234872 509658174 /nfs/dbraw/zinc/65/81/74/509658174.db2.gz PNKRGCKCRKWPQQ-IBGZPJMESA-N 1 3 350.466 2.711 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000249381418 509666326 /nfs/dbraw/zinc/66/63/26/509666326.db2.gz QKETXBHEWMLQLY-YSTOQKLRSA-N 1 3 367.578 2.750 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000192944373 509709629 /nfs/dbraw/zinc/70/96/29/509709629.db2.gz AOCWEVXVMBAMQY-UHFFFAOYSA-N 1 3 362.518 2.761 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000249756459 509754843 /nfs/dbraw/zinc/75/48/43/509754843.db2.gz UVLYWHDEXQZAPX-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000249756459 509754852 /nfs/dbraw/zinc/75/48/52/509754852.db2.gz UVLYWHDEXQZAPX-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CCNC(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180157186 509783797 /nfs/dbraw/zinc/78/37/97/509783797.db2.gz NVHPOJBYPVTOBB-XUBOLADHSA-N 1 3 356.514 2.575 20 0 FFADHO CCNC(=O)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180157186 509783805 /nfs/dbraw/zinc/78/38/05/509783805.db2.gz NVHPOJBYPVTOBB-XUBOLADHSA-N 1 3 356.514 2.575 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000237968541 509787824 /nfs/dbraw/zinc/78/78/24/509787824.db2.gz ROACDCVHJIOZIU-GOSISDBHSA-N 1 3 359.539 2.606 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183440928 509791750 /nfs/dbraw/zinc/79/17/50/509791750.db2.gz IMSJPZBDCFXLHH-HOTGVXAUSA-N 1 3 361.486 2.512 20 0 FFADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183440928 509791754 /nfs/dbraw/zinc/79/17/54/509791754.db2.gz IMSJPZBDCFXLHH-HOTGVXAUSA-N 1 3 361.486 2.512 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183440928 509791759 /nfs/dbraw/zinc/79/17/59/509791759.db2.gz IMSJPZBDCFXLHH-HOTGVXAUSA-N 1 3 361.486 2.512 20 0 FFADHO C[C@@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)N1CCCCCC1 ZINC000186617930 509804174 /nfs/dbraw/zinc/80/41/74/509804174.db2.gz VHPAAUMPUKQQCX-AZUAARDMSA-N 1 3 358.530 2.817 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000173863321 509822141 /nfs/dbraw/zinc/82/21/41/509822141.db2.gz DSUKOHZGOIPTRJ-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000173863321 509822144 /nfs/dbraw/zinc/82/21/44/509822144.db2.gz DSUKOHZGOIPTRJ-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173911895 509850196 /nfs/dbraw/zinc/85/01/96/509850196.db2.gz VYAZPDKTMKPHKL-UHFFFAOYSA-N 1 3 372.517 2.607 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173911895 509850203 /nfs/dbraw/zinc/85/02/03/509850203.db2.gz VYAZPDKTMKPHKL-UHFFFAOYSA-N 1 3 372.517 2.607 20 0 FFADHO CN1CCC(N2CCC([NH2+]CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000193286547 509852043 /nfs/dbraw/zinc/85/20/43/509852043.db2.gz YSHJCSZRBMMNJR-UHFFFAOYSA-N 1 3 357.542 2.702 20 0 FFADHO C[NH+](C)Cc1cccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000173919637 509855430 /nfs/dbraw/zinc/85/54/30/509855430.db2.gz QIZHPYKVALCZOH-UHFFFAOYSA-N 1 3 366.509 2.899 20 0 FFADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)c(SC)cc1OC ZINC000268415959 509917602 /nfs/dbraw/zinc/91/76/02/509917602.db2.gz JLTVWONTFKXEOV-UHFFFAOYSA-N 1 3 368.543 2.751 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245442404 509937537 /nfs/dbraw/zinc/93/75/37/509937537.db2.gz WGKUVRVINNGJFN-LEWJYISDSA-N 1 3 370.541 2.778 20 0 FFADHO CNC(=O)c1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000177258108 509964573 /nfs/dbraw/zinc/96/45/73/509964573.db2.gz KTSXJVFKULJOQU-UHFFFAOYSA-N 1 3 366.509 2.580 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174159400 509976960 /nfs/dbraw/zinc/97/69/60/509976960.db2.gz BIKDBQQBWYJXFU-IBGZPJMESA-N 1 3 370.541 2.562 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245661847 510069807 /nfs/dbraw/zinc/06/98/07/510069807.db2.gz PZKNBGQACLVRSK-PMACEKPBSA-N 1 3 358.530 2.851 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187121743 510069930 /nfs/dbraw/zinc/06/99/30/510069930.db2.gz BAAVKNWSNJFKQD-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO CN(C)Cc1ccc(-c2noc(-c3ccn([C@H]4CCC[NH2+]C4)n3)n2)cc1 ZINC000261822423 510076854 /nfs/dbraw/zinc/07/68/54/510076854.db2.gz QOOZQHKVTRNLRQ-INIZCTEOSA-N 1 3 352.442 2.586 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000245677991 510077975 /nfs/dbraw/zinc/07/79/75/510077975.db2.gz GDWNAERDQDWCTC-QZTJIDSGSA-N 1 3 374.554 2.616 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000245677991 510077977 /nfs/dbraw/zinc/07/79/77/510077977.db2.gz GDWNAERDQDWCTC-QZTJIDSGSA-N 1 3 374.554 2.616 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261829531 510082546 /nfs/dbraw/zinc/08/25/46/510082546.db2.gz KXMSFDPMKFXEEB-WBVHZDCISA-N 1 3 369.431 2.786 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)NC3CCCC3)CC2)C[C@H](C)O1 ZINC000177511111 510106106 /nfs/dbraw/zinc/10/61/06/510106106.db2.gz UZJACNIDKDGMQO-HDICACEKSA-N 1 3 365.562 2.647 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000177587750 510147753 /nfs/dbraw/zinc/14/77/53/510147753.db2.gz CBZCZINKVBPZAP-FPOVZHCZSA-N 1 3 372.557 2.578 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000193977655 510158036 /nfs/dbraw/zinc/15/80/36/510158036.db2.gz SEPHPHFETXARBK-YPAWHYETSA-N 1 3 369.553 2.871 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245840831 510162691 /nfs/dbraw/zinc/16/26/91/510162691.db2.gz JRTIMCCISHUGFA-UYAOXDASSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245840831 510162702 /nfs/dbraw/zinc/16/27/02/510162702.db2.gz JRTIMCCISHUGFA-UYAOXDASSA-N 1 3 360.546 2.784 20 0 FFADHO c1nc2ccccc2n1-c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262065331 510164796 /nfs/dbraw/zinc/16/47/96/510164796.db2.gz AXFDDUTWQBEYRX-HXUWFJFHSA-N 1 3 361.493 2.505 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000245880031 510182987 /nfs/dbraw/zinc/18/29/87/510182987.db2.gz KQMZYGNIUKFTAO-NJDAHSKKSA-N 1 3 357.542 2.727 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccc(C(F)F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262121379 510184264 /nfs/dbraw/zinc/18/42/64/510184264.db2.gz CCKMXOMZGAKTDC-DOTOQJQBSA-N 1 3 351.441 2.704 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262177909 510199907 /nfs/dbraw/zinc/19/99/07/510199907.db2.gz RORWADCUUFPSKN-UIFIKXQLSA-N 1 3 355.526 2.996 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262181601 510202320 /nfs/dbraw/zinc/20/23/20/510202320.db2.gz BOBICYUOTAIBBF-ZVBHREPYSA-N 1 3 361.505 2.870 20 0 FFADHO CN1c2ccc(C[NH2+]CC3CCN(c4ccncc4)CC3)cc2CCC1=O ZINC000187350820 510212521 /nfs/dbraw/zinc/21/25/21/510212521.db2.gz FFERSJWUPFVQGH-UHFFFAOYSA-N 1 3 364.493 2.997 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245928952 510214279 /nfs/dbraw/zinc/21/42/79/510214279.db2.gz IOBKGZGMDMRUCG-QZTJIDSGSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245928952 510214286 /nfs/dbraw/zinc/21/42/86/510214286.db2.gz IOBKGZGMDMRUCG-QZTJIDSGSA-N 1 3 373.545 2.781 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1 ZINC000262254606 510220845 /nfs/dbraw/zinc/22/08/45/510220845.db2.gz FBXLWLFEDMFAAT-MSOLQXFVSA-N 1 3 356.514 2.675 20 0 FFADHO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1 ZINC000262254609 510223039 /nfs/dbraw/zinc/22/30/39/510223039.db2.gz FBXLWLFEDMFAAT-ROUUACIJSA-N 1 3 356.514 2.675 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000180995718 510228417 /nfs/dbraw/zinc/22/84/17/510228417.db2.gz ISFUJNKAEXYLCW-HXUWFJFHSA-N 1 3 367.493 2.982 20 0 FFADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1N(C)C ZINC000180995828 510228976 /nfs/dbraw/zinc/22/89/76/510228976.db2.gz KCYNKEBLQFSAPC-QGZVFWFLSA-N 1 3 368.525 2.895 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000262301648 510236631 /nfs/dbraw/zinc/23/66/31/510236631.db2.gz BPIHQNVTWUUOIE-HOCLYGCPSA-N 1 3 371.447 2.984 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246028961 510256471 /nfs/dbraw/zinc/25/64/71/510256471.db2.gz VWHYHAIVVMHBJV-PCCBWWKXSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246028961 510256473 /nfs/dbraw/zinc/25/64/73/510256473.db2.gz VWHYHAIVVMHBJV-PCCBWWKXSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246028971 510256901 /nfs/dbraw/zinc/25/69/01/510256901.db2.gz VWHYHAIVVMHBJV-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246028971 510256909 /nfs/dbraw/zinc/25/69/09/510256909.db2.gz VWHYHAIVVMHBJV-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000174746997 510288447 /nfs/dbraw/zinc/28/84/47/510288447.db2.gz UPYHNUCLAMRDDZ-AEFFLSMTSA-N 1 3 364.559 2.772 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000262467604 510290370 /nfs/dbraw/zinc/29/03/70/510290370.db2.gz XYHJDLBIANBJAN-HOCLYGCPSA-N 1 3 371.447 2.984 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CN1C1CC1 ZINC000246137765 510315648 /nfs/dbraw/zinc/31/56/48/510315648.db2.gz BLRGQHKNJWPPOF-YRXWBPOGSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CN1C1CC1 ZINC000246137765 510315654 /nfs/dbraw/zinc/31/56/54/510315654.db2.gz BLRGQHKNJWPPOF-YRXWBPOGSA-N 1 3 362.562 2.908 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)CCCCCC[NH3+])CC2)cc1 ZINC000269267434 510316826 /nfs/dbraw/zinc/31/68/26/510316826.db2.gz ZYCBRSPRVXNJLL-UHFFFAOYSA-N 1 3 361.530 2.933 20 0 FFADHO [NH3+]CC1(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCCCC1 ZINC000262616996 510337711 /nfs/dbraw/zinc/33/77/11/510337711.db2.gz BWZLMRDBTZZJCH-UHFFFAOYSA-N 1 3 373.541 2.559 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccncc3)CC2)C[C@@H](C)O1 ZINC000178034688 510389821 /nfs/dbraw/zinc/38/98/21/510389821.db2.gz ZLLLBSNPWWSRBU-RTBURBONSA-N 1 3 360.546 2.525 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1(C)C ZINC000262775517 510407411 /nfs/dbraw/zinc/40/74/11/510407411.db2.gz JGBCUFRMDABSHZ-UGNRZPKXSA-N 1 3 365.562 2.632 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1(C)C ZINC000262775517 510407414 /nfs/dbraw/zinc/40/74/14/510407414.db2.gz JGBCUFRMDABSHZ-UGNRZPKXSA-N 1 3 365.562 2.632 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1(C)C ZINC000262818576 510425215 /nfs/dbraw/zinc/42/52/15/510425215.db2.gz XIQNXHADTUWESG-SIKLNZKXSA-N 1 3 373.541 2.821 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCN(CCc3ccccc3)C2)C[C@H](C)O1 ZINC000246325511 510428042 /nfs/dbraw/zinc/42/80/42/510428042.db2.gz AWTKBTMIPCYXNH-VWPQPMDRSA-N 1 3 359.558 2.782 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3nccnc3C)cc2)CC1 ZINC000187783130 510436111 /nfs/dbraw/zinc/43/61/11/510436111.db2.gz HTTLUXZXLPUHCT-SFHVURJKSA-N 1 3 353.514 2.773 20 0 FFADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1COc2ccccc21 ZINC000184689815 510464282 /nfs/dbraw/zinc/46/42/82/510464282.db2.gz ZVCMKEGRUMYBLF-DBVUQKKJSA-N 1 3 367.493 2.560 20 0 FFADHO CC(C)C[C@H](CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)[NH+](C)C ZINC000172024609 510506388 /nfs/dbraw/zinc/50/63/88/510506388.db2.gz NETSULZJAZAZPI-OAQYLSRUSA-N 1 3 374.573 2.923 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+](CC)CC)c2)C1(C)C ZINC000188065747 510574117 /nfs/dbraw/zinc/57/41/17/510574117.db2.gz KSYOLKLUTREPMO-GHTZIAJQSA-N 1 3 361.530 2.677 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246704186 510624582 /nfs/dbraw/zinc/62/45/82/510624582.db2.gz KIKKTFVCJPJZRW-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246704186 510624587 /nfs/dbraw/zinc/62/45/87/510624587.db2.gz KIKKTFVCJPJZRW-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000263252440 510630354 /nfs/dbraw/zinc/63/03/54/510630354.db2.gz JXUHRAFUXYHSPV-QRWLVFNGSA-N 1 3 368.481 2.851 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1(C)C ZINC000188267808 510679049 /nfs/dbraw/zinc/67/90/49/510679049.db2.gz KYAUAPBBFRTFCA-HGHGUNKESA-N 1 3 361.530 2.546 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1(C)C ZINC000188267808 510679056 /nfs/dbraw/zinc/67/90/56/510679056.db2.gz KYAUAPBBFRTFCA-HGHGUNKESA-N 1 3 361.530 2.546 20 0 FFADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000181975983 510686189 /nfs/dbraw/zinc/68/61/89/510686189.db2.gz XGDQSHWBYNCPSX-RBUKOAKNSA-N 1 3 361.530 2.661 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[N@H+](C)Cc1ccccc1 ZINC000175645208 510710887 /nfs/dbraw/zinc/71/08/87/510710887.db2.gz YCCGBGITBILXFV-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[N@@H+](C)Cc1ccccc1 ZINC000175645208 510710895 /nfs/dbraw/zinc/71/08/95/510710895.db2.gz YCCGBGITBILXFV-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000191606933 510748920 /nfs/dbraw/zinc/74/89/20/510748920.db2.gz GXPFLZFLIAHSBX-IBGZPJMESA-N 1 3 355.530 2.939 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000185237118 510764489 /nfs/dbraw/zinc/76/44/89/510764489.db2.gz LMTZPGYGIHHLPB-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)CC2CCN(C)CC2)CC1 ZINC000175772353 510783830 /nfs/dbraw/zinc/78/38/30/510783830.db2.gz YLPDIVKCOBNWHI-UHFFFAOYSA-N 1 3 352.567 2.728 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247050821 510817237 /nfs/dbraw/zinc/81/72/37/510817237.db2.gz ZIHXMQIKPOGJIK-NBHGPNQESA-N 1 3 362.489 2.652 20 0 FFADHO O[C@H](COCc1ccccc1F)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247050821 510817238 /nfs/dbraw/zinc/81/72/38/510817238.db2.gz ZIHXMQIKPOGJIK-NBHGPNQESA-N 1 3 362.489 2.652 20 0 FFADHO Cn1ncc2c1CCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182229095 510824784 /nfs/dbraw/zinc/82/47/84/510824784.db2.gz JTCVNCWKXISXGG-UYAOXDASSA-N 1 3 354.498 2.544 20 0 FFADHO Cn1ncc2c1CCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182229095 510824791 /nfs/dbraw/zinc/82/47/91/510824791.db2.gz JTCVNCWKXISXGG-UYAOXDASSA-N 1 3 354.498 2.544 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCC(=O)c2ccccc2)CC1 ZINC000182327248 510850857 /nfs/dbraw/zinc/85/08/57/510850857.db2.gz ULEDPTMNXCIBPW-UHFFFAOYSA-N 1 3 373.541 2.675 20 0 FFADHO CC[NH+](CC)Cc1ccc(NC2CCN(CCN3CCOCC3)CC2)cc1 ZINC000364470439 510883827 /nfs/dbraw/zinc/88/38/27/510883827.db2.gz ZXMNWMAWMPRBPY-UHFFFAOYSA-N 1 3 374.573 2.737 20 0 FFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cnn(Cc2ccccc2)c1 ZINC000282215968 510890147 /nfs/dbraw/zinc/89/01/47/510890147.db2.gz HQAXWZLJNDUUAJ-SFHVURJKSA-N 1 3 355.530 2.608 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000297378213 510922972 /nfs/dbraw/zinc/92/29/72/510922972.db2.gz LSNVMQISXHBAAF-UHFFFAOYSA-N 1 3 372.517 2.608 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000285526810 510942034 /nfs/dbraw/zinc/94/20/34/510942034.db2.gz KPHLEYVQEMYWHQ-FCEUIQTBSA-N 1 3 357.542 2.836 20 0 FFADHO CN1CCC([N@@H+]2CC[C@H](N[C@H](c3ccccc3)c3ccccn3)C2)CC1 ZINC000361067436 510988780 /nfs/dbraw/zinc/98/87/80/510988780.db2.gz MZMFXXZQOYZMMI-SIKLNZKXSA-N 1 3 350.510 2.929 20 0 FFADHO CN1CCC([N@H+]2CC[C@H](N[C@H](c3ccccc3)c3ccccn3)C2)CC1 ZINC000361067436 510988783 /nfs/dbraw/zinc/98/87/83/510988783.db2.gz MZMFXXZQOYZMMI-SIKLNZKXSA-N 1 3 350.510 2.929 20 0 FFADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285663617 511000998 /nfs/dbraw/zinc/00/09/98/511000998.db2.gz MZXPECSEVUQIGY-OAHLLOKOSA-N 1 3 369.465 2.809 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361722658 511084902 /nfs/dbraw/zinc/08/49/02/511084902.db2.gz ARCJMSSQMFQEKZ-MSOLQXFVSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361722658 511084907 /nfs/dbraw/zinc/08/49/07/511084907.db2.gz ARCJMSSQMFQEKZ-MSOLQXFVSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362079590 511128479 /nfs/dbraw/zinc/12/84/79/511128479.db2.gz PUYJMZXQTMSZLE-LPHOPBHVSA-N 1 3 351.922 2.677 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000362079590 511128485 /nfs/dbraw/zinc/12/84/85/511128485.db2.gz PUYJMZXQTMSZLE-LPHOPBHVSA-N 1 3 351.922 2.677 20 0 FFADHO c1ccc(CN2CCN(CCCC[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000298224898 511214297 /nfs/dbraw/zinc/21/42/97/511214297.db2.gz ASGRCPMGCPILSC-UHFFFAOYSA-N 1 3 370.585 2.801 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)C23CCCN2CCC3)cc1Cl ZINC000283078088 511226936 /nfs/dbraw/zinc/22/69/36/511226936.db2.gz NVRYFPMBESLYLI-UHFFFAOYSA-N 1 3 351.878 2.847 20 0 FFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000298341911 511251522 /nfs/dbraw/zinc/25/15/22/511251522.db2.gz JIYKUUHOXLDHIK-HNNXBMFYSA-N 1 3 359.495 2.805 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc21 ZINC000283170770 511262194 /nfs/dbraw/zinc/26/21/94/511262194.db2.gz JDEZRTPNKHRFNT-WOJBJXKFSA-N 1 3 373.541 2.784 20 0 FFADHO c1cc(N2CCC([NH2+]C[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)CC2)ccn1 ZINC000333645183 511311003 /nfs/dbraw/zinc/31/10/03/511311003.db2.gz SYPSVSYHIRDKRQ-MSOLQXFVSA-N 1 3 369.469 2.821 20 0 FFADHO Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1NC(=O)CC[NH+](C)C ZINC000291754255 511323344 /nfs/dbraw/zinc/32/33/44/511323344.db2.gz UWHVICLGGOFUHD-UHFFFAOYSA-N 1 3 360.502 2.556 20 0 FFADHO COc1ccc(C[NH+]2CCC(CNCc3cn4cccnc4n3)CC2)cc1 ZINC000298556337 511327114 /nfs/dbraw/zinc/32/71/14/511327114.db2.gz VHXTVYBCMMMKCJ-UHFFFAOYSA-N 1 3 365.481 2.740 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc21 ZINC000283365520 511338299 /nfs/dbraw/zinc/33/82/99/511338299.db2.gz NPQBDVCRNYWPBD-LEWJYISDSA-N 1 3 373.541 2.785 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000333928751 511394705 /nfs/dbraw/zinc/39/47/05/511394705.db2.gz XRSPHZZTIARYFC-HZPDHXFCSA-N 1 3 350.532 2.654 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000333949410 511400735 /nfs/dbraw/zinc/40/07/35/511400735.db2.gz XGHUSUYJEWQGLI-DABHTEOTSA-N 1 3 356.514 2.591 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292024364 511435761 /nfs/dbraw/zinc/43/57/61/511435761.db2.gz CRMLGDOYEHIQPA-DLBZAZTESA-N 1 3 359.514 2.540 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000363454428 511562556 /nfs/dbraw/zinc/56/25/56/511562556.db2.gz NQPBXPUHKWLTPK-OAHLLOKOSA-N 1 3 352.548 2.600 20 0 FFADHO COC(=O)COc1c(C)cc(C[NH2+]C2CCN(C3CCC3)CC2)cc1C ZINC000299385303 511616493 /nfs/dbraw/zinc/61/64/93/511616493.db2.gz YCLBDERAEYAOIN-UHFFFAOYSA-N 1 3 360.498 2.962 20 0 FFADHO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000363779649 511763379 /nfs/dbraw/zinc/76/33/79/511763379.db2.gz ATKHRYKKFCFMMK-GOSISDBHSA-N 1 3 370.541 2.751 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000312066055 511781663 /nfs/dbraw/zinc/78/16/63/511781663.db2.gz DFQQKCPXJLGZGF-NRFANRHFSA-N 1 3 363.505 2.699 20 0 FFADHO Cc1nccnc1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000292947863 511782958 /nfs/dbraw/zinc/78/29/58/511782958.db2.gz IKJPGZFPLDGFLO-UHFFFAOYSA-N 1 3 353.514 2.648 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000363920372 511850863 /nfs/dbraw/zinc/85/08/63/511850863.db2.gz IWYRWAYXCNITIB-HRCADAONSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000363920372 511850865 /nfs/dbraw/zinc/85/08/65/511850865.db2.gz IWYRWAYXCNITIB-HRCADAONSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363922363 511851864 /nfs/dbraw/zinc/85/18/64/511851864.db2.gz OJPACAMEFPSNRH-JYJNAYRXSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363922363 511851870 /nfs/dbraw/zinc/85/18/70/511851870.db2.gz OJPACAMEFPSNRH-JYJNAYRXSA-N 1 3 361.486 2.637 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000274619482 511890618 /nfs/dbraw/zinc/89/06/18/511890618.db2.gz MAVRCUDFQNEHKP-SJBKTWHCSA-N 1 3 358.574 2.655 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274936573 511992660 /nfs/dbraw/zinc/99/26/60/511992660.db2.gz SDDQTUQKTGGAFX-FUPPJEDESA-N 1 3 372.601 2.760 20 0 FFADHO CN1CCN(CC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1(C)C ZINC000282043670 512057541 /nfs/dbraw/zinc/05/75/41/512057541.db2.gz ASJIZVTYYZOFBU-UHFFFAOYSA-N 1 3 361.921 2.846 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000275150430 512057873 /nfs/dbraw/zinc/05/78/73/512057873.db2.gz RWAHFNRWJQEBNU-FXAWDEMLSA-N 1 3 355.526 2.888 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000366516589 512064757 /nfs/dbraw/zinc/06/47/57/512064757.db2.gz GQJIZFNSYKTOTL-FQEVSTJZSA-N 1 3 365.562 2.504 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000373933017 512579441 /nfs/dbraw/zinc/57/94/41/512579441.db2.gz JQPQEGBNRSNKGC-AQNXPRMDSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000373933017 512579445 /nfs/dbraw/zinc/57/94/45/512579445.db2.gz JQPQEGBNRSNKGC-AQNXPRMDSA-N 1 3 356.514 2.577 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367662644 512605259 /nfs/dbraw/zinc/60/52/59/512605259.db2.gz ONXXNDAZIIFNNO-SZPZYZBQSA-N 1 3 357.542 2.694 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367662644 512605264 /nfs/dbraw/zinc/60/52/64/512605264.db2.gz ONXXNDAZIIFNNO-SZPZYZBQSA-N 1 3 357.542 2.694 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000411471971 512651977 /nfs/dbraw/zinc/65/19/77/512651977.db2.gz HDRVTNXHWMSCOC-GHTZIAJQSA-N 1 3 373.541 2.733 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000369873662 512658613 /nfs/dbraw/zinc/65/86/13/512658613.db2.gz UIDBTWRUXMCTIK-NHCUHLMSSA-N 1 3 368.525 2.554 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000369873662 512658615 /nfs/dbraw/zinc/65/86/15/512658615.db2.gz UIDBTWRUXMCTIK-NHCUHLMSSA-N 1 3 368.525 2.554 20 0 FFADHO CN1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000374113561 512665272 /nfs/dbraw/zinc/66/52/72/512665272.db2.gz YQDUAEVALKLTNF-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000374113561 512665277 /nfs/dbraw/zinc/66/52/77/512665277.db2.gz YQDUAEVALKLTNF-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000411556526 512687590 /nfs/dbraw/zinc/68/75/90/512687590.db2.gz XSBCDOJDCGEXPB-TZIWHRDSSA-N 1 3 357.542 2.978 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000374254184 512730502 /nfs/dbraw/zinc/73/05/02/512730502.db2.gz LNOTXWINKRXFGI-WIYYLYMNSA-N 1 3 367.541 2.843 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000374254184 512730505 /nfs/dbraw/zinc/73/05/05/512730505.db2.gz LNOTXWINKRXFGI-WIYYLYMNSA-N 1 3 367.541 2.843 20 0 FFADHO Cn1cc([C@@H]2C[N@H+](Cc3cccc(CN4CCCCC4)c3)C[C@H]2CO)cn1 ZINC000411643352 512733603 /nfs/dbraw/zinc/73/36/03/512733603.db2.gz LYYFOBLQBCWAGQ-VXKWHMMOSA-N 1 3 368.525 2.614 20 0 FFADHO Cn1cc([C@@H]2C[N@@H+](Cc3cccc(CN4CCCCC4)c3)C[C@H]2CO)cn1 ZINC000411643352 512733608 /nfs/dbraw/zinc/73/36/08/512733608.db2.gz LYYFOBLQBCWAGQ-VXKWHMMOSA-N 1 3 368.525 2.614 20 0 FFADHO Cn1cc([C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]2CO)cn1 ZINC000411643352 512733612 /nfs/dbraw/zinc/73/36/12/512733612.db2.gz LYYFOBLQBCWAGQ-VXKWHMMOSA-N 1 3 368.525 2.614 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000370059486 512746122 /nfs/dbraw/zinc/74/61/22/512746122.db2.gz IRPLUXWILCGRAP-UHFFFAOYSA-N 1 3 359.514 2.559 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000411716619 512777433 /nfs/dbraw/zinc/77/74/33/512777433.db2.gz FRALDMUIHLUUKN-NHCUHLMSSA-N 1 3 373.541 2.703 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@]3(F)c3ccccc3)CC2)CC1 ZINC000411770372 512802846 /nfs/dbraw/zinc/80/28/46/512802846.db2.gz XTQWKGGOTCVXOM-PZJWPPBQSA-N 1 3 359.489 2.546 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CNCCC2(F)F)cc1 ZINC000415176035 513132092 /nfs/dbraw/zinc/13/20/92/513132092.db2.gz FTSPCJZFCKRHSL-MRXNPFEDSA-N 1 3 370.444 2.526 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000417649849 513137653 /nfs/dbraw/zinc/13/76/53/513137653.db2.gz KDBNNGJPKWRIIW-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417681868 513157493 /nfs/dbraw/zinc/15/74/93/513157493.db2.gz KIBXTXIPGOOHRL-DBVUQKKJSA-N 1 3 372.557 2.886 20 0 FFADHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000428694426 513166754 /nfs/dbraw/zinc/16/67/54/513166754.db2.gz BGRCTQNTJLOXIQ-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000428694426 513166759 /nfs/dbraw/zinc/16/67/59/513166759.db2.gz BGRCTQNTJLOXIQ-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)[C@H]1c1cccs1 ZINC000417741457 513190229 /nfs/dbraw/zinc/19/02/29/513190229.db2.gz ULXBELPAHXADLJ-NUJGCVRESA-N 1 3 364.559 2.962 20 0 FFADHO CN1CCC[C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000417740444 513190353 /nfs/dbraw/zinc/19/03/53/513190353.db2.gz RPFLHGZGWSTKJW-UWWQBHOKSA-N 1 3 362.543 2.667 20 0 FFADHO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415305603 513196092 /nfs/dbraw/zinc/19/60/92/513196092.db2.gz HFCSBXHBSWCSAM-QGZVFWFLSA-N 1 3 360.502 2.625 20 0 FFADHO C[C@](C[NH3+])(NC(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000415306103 513196369 /nfs/dbraw/zinc/19/63/69/513196369.db2.gz HSHKMCJPFRGMQK-HXUWFJFHSA-N 1 3 360.502 2.800 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000433964017 513199866 /nfs/dbraw/zinc/19/98/66/513199866.db2.gz FCBXMTPWPDTVEV-NRFANRHFSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000433964017 513199870 /nfs/dbraw/zinc/19/98/70/513199870.db2.gz FCBXMTPWPDTVEV-NRFANRHFSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417818398 513220296 /nfs/dbraw/zinc/22/02/96/513220296.db2.gz FIZJSNCTOCUKMU-NSISKUIASA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417823449 513221419 /nfs/dbraw/zinc/22/14/19/513221419.db2.gz KUFQYBZIKPKCKE-YRIAPGLZSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417827927 513225229 /nfs/dbraw/zinc/22/52/29/513225229.db2.gz DUNQMAAQHKAURP-UMGGQSCQSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417831450 513225778 /nfs/dbraw/zinc/22/57/78/513225778.db2.gz SKTZWYYDAIIFAE-LMCOJAPRSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000417837096 513228651 /nfs/dbraw/zinc/22/86/51/513228651.db2.gz XEEZCFZDBCRCHN-HKUYNNGSSA-N 1 3 358.530 2.858 20 0 FFADHO CCN(C)c1ccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)cn1 ZINC000421382549 513241801 /nfs/dbraw/zinc/24/18/01/513241801.db2.gz YAXXTBYKUVFLFX-UHFFFAOYSA-N 1 3 359.562 2.530 20 0 FFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003235 513248524 /nfs/dbraw/zinc/24/85/24/513248524.db2.gz PFGMTYIPPLXKHH-MQSCRBSSSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003235 513248532 /nfs/dbraw/zinc/24/85/32/513248532.db2.gz PFGMTYIPPLXKHH-MQSCRBSSSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@@H]1C[C@H]1N1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003235 513248539 /nfs/dbraw/zinc/24/85/39/513248539.db2.gz PFGMTYIPPLXKHH-MQSCRBSSSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@@H]1C[C@H]1N1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003235 513248548 /nfs/dbraw/zinc/24/85/48/513248548.db2.gz PFGMTYIPPLXKHH-MQSCRBSSSA-N 1 3 370.585 2.861 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000429135459 513288601 /nfs/dbraw/zinc/28/86/01/513288601.db2.gz NQNFVYIYPOXAPT-IBGZPJMESA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000450743765 513322823 /nfs/dbraw/zinc/32/28/23/513322823.db2.gz JBMCWLNSIRHMQJ-FPOVZHCZSA-N 1 3 359.558 2.501 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCCC(=O)c3ccccc3)CC2)CC1 ZINC000450749463 513324736 /nfs/dbraw/zinc/32/47/36/513324736.db2.gz ZDXUCHNSGPCRLV-UHFFFAOYSA-N 1 3 357.542 2.999 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418010911 513332793 /nfs/dbraw/zinc/33/27/93/513332793.db2.gz KCQVTDANZNGZEN-UIFIKXQLSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418023713 513339400 /nfs/dbraw/zinc/33/94/00/513339400.db2.gz BWMYKHCRYGPWQN-TZIWHRDSSA-N 1 3 360.546 2.832 20 0 FFADHO C[C@]1(CNC(=O)NCCC2=CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000418042980 513351312 /nfs/dbraw/zinc/35/13/12/513351312.db2.gz MOIHNYHNMMHJDX-OAQYLSRUSA-N 1 3 356.514 2.650 20 0 FFADHO C[C@]1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418049879 513353959 /nfs/dbraw/zinc/35/39/59/513353959.db2.gz ZDTRMZUFXQNLMJ-TZIWHRDSSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434647965 513379930 /nfs/dbraw/zinc/37/99/30/513379930.db2.gz WRVOVFYHFBUNNC-ROUUACIJSA-N 1 3 359.514 2.997 20 0 FFADHO Cc1cccc2c1ncc(C)c2N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000450889307 513386140 /nfs/dbraw/zinc/38/61/40/513386140.db2.gz CNXQGYYLPQZTHF-QGZVFWFLSA-N 1 3 352.482 2.642 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418148776 513391192 /nfs/dbraw/zinc/39/11/92/513391192.db2.gz AILSNGLGIKXIQI-AABGKKOBSA-N 1 3 370.541 2.681 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418154569 513395561 /nfs/dbraw/zinc/39/55/61/513395561.db2.gz JWDZFLZMMIRKCY-QRVBRYPASA-N 1 3 358.530 2.714 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000418158559 513397030 /nfs/dbraw/zinc/39/70/30/513397030.db2.gz CFWMLEOCSQBUJY-GOSISDBHSA-N 1 3 350.551 2.674 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418160496 513398591 /nfs/dbraw/zinc/39/85/91/513398591.db2.gz RYSPFABICUYMAV-AABGKKOBSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)[C@H](c1ccccc1)N(C)C ZINC000418176908 513406708 /nfs/dbraw/zinc/40/67/08/513406708.db2.gz HJOSTZNZMZYUGP-YLJYHZDGSA-N 1 3 369.513 2.552 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000418195513 513416609 /nfs/dbraw/zinc/41/66/09/513416609.db2.gz QDIFRMJGXKXTKW-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000418199552 513418251 /nfs/dbraw/zinc/41/82/51/513418251.db2.gz XBSLEIUXLCCKMR-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418234043 513433163 /nfs/dbraw/zinc/43/31/63/513433163.db2.gz PPSYLTSEMCYPMD-KYJSFNMBSA-N 1 3 364.559 2.780 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000418238104 513437292 /nfs/dbraw/zinc/43/72/92/513437292.db2.gz WWEUZSODJVYLOX-AEFFLSMTSA-N 1 3 364.559 2.843 20 0 FFADHO COC1([C@H](C)[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CCCCC1 ZINC000421825268 513446366 /nfs/dbraw/zinc/44/63/66/513446366.db2.gz MRBQVPOLLNAFDJ-KRWDZBQOSA-N 1 3 361.530 2.805 20 0 FFADHO COC1([C@@H](C)[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCOCC1 ZINC000421859537 513452019 /nfs/dbraw/zinc/45/20/19/513452019.db2.gz FTRHFJJHJIXMIO-IAGOWNOFSA-N 1 3 350.503 2.862 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000418291594 513454014 /nfs/dbraw/zinc/45/40/14/513454014.db2.gz AMMCBNHVWSBUJI-INIZCTEOSA-N 1 3 352.910 2.904 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC1([NH3+])CCCCC1 ZINC000418298705 513454762 /nfs/dbraw/zinc/45/47/62/513454762.db2.gz QULMQOLCFIFNPM-UHFFFAOYSA-N 1 3 350.482 2.561 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418342027 513472590 /nfs/dbraw/zinc/47/25/90/513472590.db2.gz IDGKMMVPYCFPAY-DENIHFKCSA-N 1 3 370.541 2.684 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000415911036 513473030 /nfs/dbraw/zinc/47/30/30/513473030.db2.gz IXLGPUACTDHFGZ-CALCHBBNSA-N 1 3 374.529 2.759 20 0 FFADHO C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418358981 513481576 /nfs/dbraw/zinc/48/15/76/513481576.db2.gz JABHBIKIOWUQTR-NQIIRXRSSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000415949074 513494025 /nfs/dbraw/zinc/49/40/25/513494025.db2.gz VRFAJGDXWJTRFH-KXBFYZLASA-N 1 3 356.470 2.837 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)CN1Cc1ccccc1 ZINC000415947776 513494423 /nfs/dbraw/zinc/49/44/23/513494423.db2.gz SPHISCSUFFEBRY-QFBILLFUSA-N 1 3 368.481 2.809 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000415968319 513507102 /nfs/dbraw/zinc/50/71/02/513507102.db2.gz FIPXREPCQTWQDR-HNNXBMFYSA-N 1 3 360.477 2.811 20 0 FFADHO C[C@H]1CN(C(=O)NCC[NH2+]C2CCCCCC2)CCN(C2CCC2)C1 ZINC000418441480 513512347 /nfs/dbraw/zinc/51/23/47/513512347.db2.gz IOGCBJHUZSZDJN-QGZVFWFLSA-N 1 3 350.551 2.815 20 0 FFADHO C[N@H+](CCCNC(=O)Nc1ccc2c(c1)CNCCO2)C1CCCCC1 ZINC000415976726 513512488 /nfs/dbraw/zinc/51/24/88/513512488.db2.gz RCFGKJXBTUKTOH-UHFFFAOYSA-N 1 3 360.502 2.945 20 0 FFADHO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1)CNCCO2)C1CCCCC1 ZINC000415976726 513512496 /nfs/dbraw/zinc/51/24/96/513512496.db2.gz RCFGKJXBTUKTOH-UHFFFAOYSA-N 1 3 360.502 2.945 20 0 FFADHO C[NH+](C)CCOCCN[C@@H]1CCCOc2ccc(Br)cc21 ZINC000447597235 513518482 /nfs/dbraw/zinc/51/84/82/513518482.db2.gz RSZYCINLYQNZNB-OAHLLOKOSA-N 1 3 357.292 2.831 20 0 FFADHO C[C@H](C[NH3+])NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418509771 513537786 /nfs/dbraw/zinc/53/77/86/513537786.db2.gz GWOYPFWSTZSNNC-CYBMUJFWSA-N 1 3 373.328 2.948 20 0 FFADHO CC1(CNC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]CC1 ZINC000418513592 513539652 /nfs/dbraw/zinc/53/96/52/513539652.db2.gz GGMAABCTYZOTOG-UXHICEINSA-N 1 3 370.541 2.540 20 0 FFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCCN(Cc2ccccc2)CC1 ZINC000418558768 513556892 /nfs/dbraw/zinc/55/68/92/513556892.db2.gz UQKOSNXEGZXZHA-UHFFFAOYSA-N 1 3 364.493 2.707 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418562182 513560226 /nfs/dbraw/zinc/56/02/26/513560226.db2.gz UAUAPDBIDVQCTN-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425440739 513566125 /nfs/dbraw/zinc/56/61/25/513566125.db2.gz HCYLEFPTLCTRFV-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425440739 513566131 /nfs/dbraw/zinc/56/61/31/513566131.db2.gz HCYLEFPTLCTRFV-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418610119 513576090 /nfs/dbraw/zinc/57/60/90/513576090.db2.gz FOMWALHIPWLJCM-RAUXBKROSA-N 1 3 358.530 2.851 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000430221071 513592193 /nfs/dbraw/zinc/59/21/93/513592193.db2.gz BNUXGKXVUZPURS-CTNGQTDRSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN(C2CCC2)C1 ZINC000418680341 513609176 /nfs/dbraw/zinc/60/91/76/513609176.db2.gz UPCUXLKRGIVICT-FXAWDEMLSA-N 1 3 358.530 2.982 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418749496 513637150 /nfs/dbraw/zinc/63/71/50/513637150.db2.gz MHALQYRETLCJEI-WOJBJXKFSA-N 1 3 373.545 2.610 20 0 FFADHO CC[N@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@@H]1CCCNCC1 ZINC000435626749 513642390 /nfs/dbraw/zinc/64/23/90/513642390.db2.gz PGOWYZWFDFMDJK-LJQANCHMSA-N 1 3 356.518 2.974 20 0 FFADHO CC[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@@H]1CCCNCC1 ZINC000435626749 513642398 /nfs/dbraw/zinc/64/23/98/513642398.db2.gz PGOWYZWFDFMDJK-LJQANCHMSA-N 1 3 356.518 2.974 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425674388 513694862 /nfs/dbraw/zinc/69/48/62/513694862.db2.gz OZDMMJUIHMICHE-HFSMHLIXSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000430586806 513697039 /nfs/dbraw/zinc/69/70/39/513697039.db2.gz ZJCANRDMFXMKSN-CHWSQXEVSA-N 1 3 354.292 2.837 20 0 FFADHO COc1cc(NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C)c(OC)cc1Cl ZINC000430586311 513697045 /nfs/dbraw/zinc/69/70/45/513697045.db2.gz VTFMXGPBSIOHMS-CQSZACIVSA-N 1 3 371.909 2.991 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H](N4CCCC4)C3)ccc21 ZINC000430674731 513719938 /nfs/dbraw/zinc/71/99/38/513719938.db2.gz JWEHCFKGFRMFDB-IBGZPJMESA-N 1 3 354.498 2.691 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430681289 513721178 /nfs/dbraw/zinc/72/11/78/513721178.db2.gz QFIPRTQYJNBXHH-UXPWSPDFSA-N 1 3 357.498 2.503 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)C1CC[NH2+]CC1 ZINC000430702914 513727862 /nfs/dbraw/zinc/72/78/62/513727862.db2.gz RVWZBHSXODYVQW-MRXNPFEDSA-N 1 3 359.514 2.608 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@H](C)[C@@H](N)c3ccccc3)CCCC2)CC1 ZINC000430703443 513728193 /nfs/dbraw/zinc/72/81/93/513728193.db2.gz FJIZIEUURKVGFR-YLJYHZDGSA-N 1 3 373.541 2.862 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@H]1CCCN1CCC[N@@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451417519 513737286 /nfs/dbraw/zinc/73/72/86/513737286.db2.gz HRZWQFUXCLLHRE-HUJIQXBTSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@H]1CCCN1CCC[N@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451417519 513737292 /nfs/dbraw/zinc/73/72/92/513737292.db2.gz HRZWQFUXCLLHRE-HUJIQXBTSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCN1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451417519 513737298 /nfs/dbraw/zinc/73/72/98/513737298.db2.gz HRZWQFUXCLLHRE-HUJIQXBTSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCCN1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000451417519 513737304 /nfs/dbraw/zinc/73/73/04/513737304.db2.gz HRZWQFUXCLLHRE-HUJIQXBTSA-N 1 3 350.547 2.627 20 0 FFADHO C[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCC[C@@H](C)C1 ZINC000430738188 513737749 /nfs/dbraw/zinc/73/77/49/513737749.db2.gz FCNTZUQZPMQITG-IAGOWNOFSA-N 1 3 356.514 2.840 20 0 FFADHO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000442610493 513744719 /nfs/dbraw/zinc/74/47/19/513744719.db2.gz PJBIZYOAQISEKQ-IBGZPJMESA-N 1 3 360.546 2.688 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000442618022 513747208 /nfs/dbraw/zinc/74/72/08/513747208.db2.gz FZQJOMOSCCZBJY-GOSISDBHSA-N 1 3 350.551 2.626 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000436278764 513815140 /nfs/dbraw/zinc/81/51/40/513815140.db2.gz DODWQKDOZJQXHE-UHFFFAOYSA-N 1 3 359.543 2.786 20 0 FFADHO COc1ccc(CCN2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451534780 513815333 /nfs/dbraw/zinc/81/53/33/513815333.db2.gz NQMOVTHJYARVCN-OAQYLSRUSA-N 1 3 373.541 2.504 20 0 FFADHO COc1ccc(CCN2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451534780 513815339 /nfs/dbraw/zinc/81/53/39/513815339.db2.gz NQMOVTHJYARVCN-OAQYLSRUSA-N 1 3 373.541 2.504 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436285609 513817596 /nfs/dbraw/zinc/81/75/96/513817596.db2.gz FLUDLGQBMPRCDF-KCZVDYSFSA-N 1 3 355.526 2.747 20 0 FFADHO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCOCC2)cc1 ZINC000422707893 513908590 /nfs/dbraw/zinc/90/85/90/513908590.db2.gz IJEKVZWHGXAKRK-JTSKRJEESA-N 1 3 368.525 2.881 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762432 513925596 /nfs/dbraw/zinc/92/55/96/513925596.db2.gz NPICIBTWTHOENO-WBAXXEDZSA-N 1 3 352.906 2.730 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762432 513925605 /nfs/dbraw/zinc/92/56/05/513925605.db2.gz NPICIBTWTHOENO-WBAXXEDZSA-N 1 3 352.906 2.730 20 0 FFADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000422774063 513929236 /nfs/dbraw/zinc/92/92/36/513929236.db2.gz ZWWACCBAHQTROL-XUVXKRRUSA-N 1 3 373.541 2.572 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422847644 513951074 /nfs/dbraw/zinc/95/10/74/513951074.db2.gz IODAONJLUNHEQC-QGZVFWFLSA-N 1 3 360.546 2.782 20 0 FFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422856297 513954264 /nfs/dbraw/zinc/95/42/64/513954264.db2.gz WTCXPCSZDCWKRO-RYQLBKOJSA-N 1 3 371.447 2.796 20 0 FFADHO Cc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c(N2CCOCC2)c1 ZINC000422864016 513956803 /nfs/dbraw/zinc/95/68/03/513956803.db2.gz MHWNOXHYHDFIAA-MRXNPFEDSA-N 1 3 354.498 2.845 20 0 FFADHO Cc1cccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCOCC2)c1 ZINC000422870891 513958010 /nfs/dbraw/zinc/95/80/10/513958010.db2.gz ZLHNTZQXLNOQHY-PMOQBDJRSA-N 1 3 367.537 2.916 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccc(Cl)cc2OC)CC[NH2+]CC1 ZINC000422884558 513962736 /nfs/dbraw/zinc/96/27/36/513962736.db2.gz FEGKMWWTFOZZCG-ZDUSSCGKSA-N 1 3 354.878 2.760 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000416781257 513963943 /nfs/dbraw/zinc/96/39/43/513963943.db2.gz DLUXZKNDKJFUBF-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422905511 513971584 /nfs/dbraw/zinc/97/15/84/513971584.db2.gz SHTWHQNTGPKKRK-PKOBYXMFSA-N 1 3 364.965 2.830 20 0 FFADHO CN(C)[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000416810035 513975234 /nfs/dbraw/zinc/97/52/34/513975234.db2.gz QKLVOUJMIQGROL-HXUWFJFHSA-N 1 3 354.498 2.502 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000416823184 513982697 /nfs/dbraw/zinc/98/26/97/513982697.db2.gz NVIPDVWJNICWQA-SXLOBPIMSA-N 1 3 374.529 2.649 20 0 FFADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000416832088 513988340 /nfs/dbraw/zinc/98/83/40/513988340.db2.gz IFSKXGGLZWTAPD-HZPDHXFCSA-N 1 3 350.532 2.524 20 0 FFADHO CCc1noc(-c2ccc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422955931 513990197 /nfs/dbraw/zinc/99/01/97/513990197.db2.gz KIGLZNQFERIVPQ-CEXWTWQISA-N 1 3 370.497 2.588 20 0 FFADHO CCc1noc(-c2ccc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422955934 513990841 /nfs/dbraw/zinc/99/08/41/513990841.db2.gz KIGLZNQFERIVPQ-IPMKNSEASA-N 1 3 370.497 2.588 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000416836913 513992277 /nfs/dbraw/zinc/99/22/77/513992277.db2.gz GZNGUSUZLXBQGV-HXUWFJFHSA-N 1 3 360.546 2.883 20 0 FFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416836079 513992535 /nfs/dbraw/zinc/99/25/35/513992535.db2.gz GAJCOJQQROAGGY-NRFANRHFSA-N 1 3 366.509 2.822 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N2CCCC2)cc1 ZINC000416835167 513992704 /nfs/dbraw/zinc/99/27/04/513992704.db2.gz ZAZCCCARBNMNMC-LJQANCHMSA-N 1 3 374.529 2.521 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)N(C)C)cc1 ZINC000416847702 513999549 /nfs/dbraw/zinc/99/95/49/513999549.db2.gz VYANWKXPPZZWHC-NHCUHLMSSA-N 1 3 372.557 2.883 20 0 FFADHO Cc1cc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc(C)c1F ZINC000414181062 514000219 /nfs/dbraw/zinc/00/02/19/514000219.db2.gz BTLLZDXPSCGSNM-SFHVURJKSA-N 1 3 363.521 2.890 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416850418 514001248 /nfs/dbraw/zinc/00/12/48/514001248.db2.gz ZMGWXVHVIPPOLV-TZIWHRDSSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)cc1 ZINC000414200352 514008706 /nfs/dbraw/zinc/00/87/06/514008706.db2.gz RTVUONZZOYGAHH-MRXNPFEDSA-N 1 3 351.922 2.787 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N2CCCC2)c1 ZINC000416861098 514010884 /nfs/dbraw/zinc/01/08/84/514010884.db2.gz WMIRXRLTTHCIBP-IEBWSBKVSA-N 1 3 362.518 2.505 20 0 FFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423028141 514012149 /nfs/dbraw/zinc/01/21/49/514012149.db2.gz QEGQNUBKZMFPRK-FDFHNCONSA-N 1 3 372.557 2.786 20 0 FFADHO Fc1ccc(-c2noc(CCCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000423037224 514013335 /nfs/dbraw/zinc/01/33/35/514013335.db2.gz VVKNAVUWPSVADM-FGTMMUONSA-N 1 3 374.460 2.555 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCOc3c(F)cccc32)CC[NH2+]CC1 ZINC000423044184 514016558 /nfs/dbraw/zinc/01/65/58/514016558.db2.gz QOSZJQHDJGCSEO-PBHICJAKSA-N 1 3 364.461 2.950 20 0 FFADHO OC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCN(Cc2ccccc2)CC1 ZINC000414296978 514036974 /nfs/dbraw/zinc/03/69/74/514036974.db2.gz GAANKJJEXXHBBL-NJYVYQBISA-N 1 3 370.537 2.951 20 0 FFADHO OC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCN(Cc2ccccc2)CC1 ZINC000414296977 514037245 /nfs/dbraw/zinc/03/72/45/514037245.db2.gz GAANKJJEXXHBBL-NJDAHSKKSA-N 1 3 370.537 2.951 20 0 FFADHO OC1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCN(Cc2ccccc2)CC1 ZINC000414300473 514038670 /nfs/dbraw/zinc/03/86/70/514038670.db2.gz JAAVJNCYURSKEL-HSALFYBXSA-N 1 3 356.510 2.561 20 0 FFADHO O=C(Cc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423098482 514041036 /nfs/dbraw/zinc/04/10/36/514041036.db2.gz CWJVIULEEVKTFE-JSXRDJHFSA-N 1 3 355.526 2.730 20 0 FFADHO FC(F)(F)COc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423106297 514044385 /nfs/dbraw/zinc/04/43/85/514044385.db2.gz ZOKCYQCOUWLLEP-FGTMMUONSA-N 1 3 372.431 2.917 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](CCO)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423121770 514050521 /nfs/dbraw/zinc/05/05/21/514050521.db2.gz IVPXVPVCNNHASY-RHSMWYFYSA-N 1 3 368.905 2.675 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](CCO)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423121771 514050673 /nfs/dbraw/zinc/05/06/73/514050673.db2.gz IVPXVPVCNNHASY-WMLDXEAASA-N 1 3 368.905 2.675 20 0 FFADHO Fc1ccc2c(c1)C[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000423128029 514052775 /nfs/dbraw/zinc/05/27/75/514052775.db2.gz UQUVVDVQJUCCOS-DJPFJPOOSA-N 1 3 354.425 2.975 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCn1cc(Br)cn1 ZINC000423130896 514053335 /nfs/dbraw/zinc/05/33/35/514053335.db2.gz SMFCWXHDVNYYSM-LLVKDONJSA-N 1 3 352.280 2.549 20 0 FFADHO COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423134325 514055690 /nfs/dbraw/zinc/05/56/90/514055690.db2.gz LYKHOFBTJRTLDW-OWCLPIDISA-N 1 3 368.905 2.646 20 0 FFADHO Clc1cccc(-n2ccnc2)c1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423148583 514059363 /nfs/dbraw/zinc/05/93/63/514059363.db2.gz WAOHOUJSGPKETF-QGTPRVQTSA-N 1 3 360.889 2.772 20 0 FFADHO CCn1nnc(C)c1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000449071735 514060135 /nfs/dbraw/zinc/06/01/35/514060135.db2.gz IEWMRNSZWDLMST-UHFFFAOYSA-N 1 3 370.545 2.607 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)[C@H]3CCCCN3)CC2)cc1 ZINC000423147035 514060274 /nfs/dbraw/zinc/06/02/74/514060274.db2.gz BUHNYCPZYUDZRY-HRAATJIYSA-N 1 3 358.530 2.730 20 0 FFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000449082773 514064924 /nfs/dbraw/zinc/06/49/24/514064924.db2.gz PURHSVSRYVHJBI-KSZLIROESA-N 1 3 362.514 2.832 20 0 FFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000449082773 514064925 /nfs/dbraw/zinc/06/49/25/514064925.db2.gz PURHSVSRYVHJBI-KSZLIROESA-N 1 3 362.514 2.832 20 0 FFADHO CC(C)CC[NH+]1CCC(CNCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414366774 514067637 /nfs/dbraw/zinc/06/76/37/514067637.db2.gz QUEGXYQRSYDMOM-UHFFFAOYSA-N 1 3 358.573 2.999 20 0 FFADHO CCc1ncc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000414365164 514068205 /nfs/dbraw/zinc/06/82/05/514068205.db2.gz KCVZOBZIBBTZIL-UHFFFAOYSA-N 1 3 354.498 2.846 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423168188 514068157 /nfs/dbraw/zinc/06/81/57/514068157.db2.gz XOOBTRRIHCKLMD-IIYDPXPESA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423168188 514068162 /nfs/dbraw/zinc/06/81/62/514068162.db2.gz XOOBTRRIHCKLMD-IIYDPXPESA-N 1 3 373.310 2.717 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C(F)(F)F)C1 ZINC000432019535 514068724 /nfs/dbraw/zinc/06/87/24/514068724.db2.gz PUVUXUMWDYNHLP-KBUPBQIOSA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C(F)(F)F)C1 ZINC000432019535 514068728 /nfs/dbraw/zinc/06/87/28/514068728.db2.gz PUVUXUMWDYNHLP-KBUPBQIOSA-N 1 3 361.452 2.638 20 0 FFADHO C[C@H](CNC1CC[NH+](C2CCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449095728 514070804 /nfs/dbraw/zinc/07/08/04/514070804.db2.gz APKODUSSDRJWJQ-OAHLLOKOSA-N 1 3 350.528 2.800 20 0 FFADHO COc1ccc([C@H](NCCCNCc2cccnc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423187339 514074144 /nfs/dbraw/zinc/07/41/44/514074144.db2.gz MNFYLRKQXCWGMB-RTWAWAEBSA-N 1 3 354.498 2.653 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000420298135 514078916 /nfs/dbraw/zinc/07/89/16/514078916.db2.gz GUZSEQDTEJUYGF-SJLPKXTDSA-N 1 3 361.530 2.612 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000420298135 514078919 /nfs/dbraw/zinc/07/89/19/514078919.db2.gz GUZSEQDTEJUYGF-SJLPKXTDSA-N 1 3 361.530 2.612 20 0 FFADHO CN(CCC(=O)Nc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000420304646 514081591 /nfs/dbraw/zinc/08/15/91/514081591.db2.gz FGEBPOUKCNJSHG-ZDUSSCGKSA-N 1 3 354.292 2.852 20 0 FFADHO CCc1ccc([C@@H]2CNCCN2C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420310200 514083307 /nfs/dbraw/zinc/08/33/07/514083307.db2.gz FWUOUYSHNUSGLQ-IRLDBZIGSA-N 1 3 353.510 2.946 20 0 FFADHO CN(C)CC[NH+]1CCC(CNCc2cccc(F)c2Br)CC1 ZINC000449129586 514083667 /nfs/dbraw/zinc/08/36/67/514083667.db2.gz CRGGNHCWSOEDPI-UHFFFAOYSA-N 1 3 372.326 2.951 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 ZINC000416977028 514084523 /nfs/dbraw/zinc/08/45/23/514084523.db2.gz PEJNJUZEPLZTIN-UHFFFAOYSA-N 1 3 372.557 2.991 20 0 FFADHO CC(C)(C)c1nc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000420313302 514089147 /nfs/dbraw/zinc/08/91/47/514089147.db2.gz IWYXAVQDOXSICC-INIZCTEOSA-N 1 3 350.576 2.948 20 0 FFADHO Cc1cc(C)c(CCNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420325989 514095531 /nfs/dbraw/zinc/09/55/31/514095531.db2.gz IWNKZNLQTDQWMJ-PMACEKPBSA-N 1 3 357.542 2.592 20 0 FFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345680 514103406 /nfs/dbraw/zinc/10/34/06/514103406.db2.gz WJQJZMMFKSOVHH-DMCNZOGFSA-N 1 3 359.558 2.781 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccsc1 ZINC000417002313 514108341 /nfs/dbraw/zinc/10/83/41/514108341.db2.gz GEMGGMCYWOYMBK-DZJNRPSUSA-N 1 3 364.559 2.900 20 0 FFADHO CC[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000417005894 514112525 /nfs/dbraw/zinc/11/25/25/514112525.db2.gz DYKSJNXWZGSCJB-WOJBJXKFSA-N 1 3 360.546 2.838 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000420372828 514114330 /nfs/dbraw/zinc/11/43/30/514114330.db2.gz FPXOTGWPBGSQIZ-OAHLLOKOSA-N 1 3 370.284 2.760 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)nn1 ZINC000420372828 514114338 /nfs/dbraw/zinc/11/43/38/514114338.db2.gz FPXOTGWPBGSQIZ-OAHLLOKOSA-N 1 3 370.284 2.760 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000423354788 514115206 /nfs/dbraw/zinc/11/52/06/514115206.db2.gz GXUFVBKHCKJMRH-SFTDATJTSA-N 1 3 357.542 2.965 20 0 FFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000423354788 514115213 /nfs/dbraw/zinc/11/52/13/514115213.db2.gz GXUFVBKHCKJMRH-SFTDATJTSA-N 1 3 357.542 2.965 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2C[C@H](C)CCN2)ccc1OC ZINC000423357454 514117223 /nfs/dbraw/zinc/11/72/23/514117223.db2.gz IAUKAFGCOIPQMR-WBVHZDCISA-N 1 3 363.502 2.742 20 0 FFADHO CC1(C)[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000423382407 514123791 /nfs/dbraw/zinc/12/37/91/514123791.db2.gz IMWFAIGERUPFTN-BRWVUGGUSA-N 1 3 355.448 2.994 20 0 FFADHO CC[C@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)N1CCc2ccccc2C1 ZINC000417019755 514123944 /nfs/dbraw/zinc/12/39/44/514123944.db2.gz RCFCBGWSFYNSOL-OXQOHEQNSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000417046734 514141102 /nfs/dbraw/zinc/14/11/02/514141102.db2.gz PLJDIKDSLTVFLH-IZZBFERCSA-N 1 3 372.557 2.881 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000417046734 514141110 /nfs/dbraw/zinc/14/11/10/514141110.db2.gz PLJDIKDSLTVFLH-IZZBFERCSA-N 1 3 372.557 2.881 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423498199 514152876 /nfs/dbraw/zinc/15/28/76/514152876.db2.gz HSZKOLXAUXFXNU-BEFAXECRSA-N 1 3 361.511 2.726 20 0 FFADHO CCN(C)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cn1 ZINC000414525238 514161994 /nfs/dbraw/zinc/16/19/94/514161994.db2.gz LSUAHSMFIOCAKQ-UHFFFAOYSA-N 1 3 368.525 2.654 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417089900 514162966 /nfs/dbraw/zinc/16/29/66/514162966.db2.gz SJVOFDOPOJCCCV-LPHOPBHVSA-N 1 3 358.530 2.735 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449320391 514164779 /nfs/dbraw/zinc/16/47/79/514164779.db2.gz NUENWFVGKGZUKR-UHFFFAOYSA-N 1 3 370.497 2.642 20 0 FFADHO Cc1ccc2ncc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)n2c1 ZINC000414549797 514174006 /nfs/dbraw/zinc/17/40/06/514174006.db2.gz MEHXLMFLFBSSBL-UHFFFAOYSA-N 1 3 364.493 2.759 20 0 FFADHO NC(=O)C1CC[NH+](Cc2ccc(CNC/C=C/c3ccncc3)cc2)CC1 ZINC000414552035 514175635 /nfs/dbraw/zinc/17/56/35/514175635.db2.gz GGXZNKWGWJFBAW-OWOJBTEDSA-N 1 3 364.493 2.582 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000449362537 514180933 /nfs/dbraw/zinc/18/09/33/514180933.db2.gz NCLNGKSZNBRJDB-NRFANRHFSA-N 1 3 371.500 2.661 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CN1Cc1ccccc1 ZINC000449366950 514183860 /nfs/dbraw/zinc/18/38/60/514183860.db2.gz TWKWRQFMAKIEPP-AAIMPIBUSA-N 1 3 363.505 2.697 20 0 FFADHO CCN(Cc1ccc(C(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1)C1CC1 ZINC000444353863 514203308 /nfs/dbraw/zinc/20/33/08/514203308.db2.gz SBFUYACRIIOIMR-QGZVFWFLSA-N 1 3 373.541 2.588 20 0 FFADHO CCN(Cc1ccc(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1)C1CC1 ZINC000444353863 514203311 /nfs/dbraw/zinc/20/33/11/514203311.db2.gz SBFUYACRIIOIMR-QGZVFWFLSA-N 1 3 373.541 2.588 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000452168527 514225129 /nfs/dbraw/zinc/22/51/29/514225129.db2.gz DSWLOOIDLVSSTL-UYAOXDASSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000452168527 514225134 /nfs/dbraw/zinc/22/51/34/514225134.db2.gz DSWLOOIDLVSSTL-UYAOXDASSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676119 514237216 /nfs/dbraw/zinc/23/72/16/514237216.db2.gz MXMVNTOREUXELO-KGLIPLIRSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676119 514237221 /nfs/dbraw/zinc/23/72/21/514237221.db2.gz MXMVNTOREUXELO-KGLIPLIRSA-N 1 3 357.420 2.896 20 0 FFADHO CN(CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000417230486 514247405 /nfs/dbraw/zinc/24/74/05/514247405.db2.gz KRXCHVFRQWKNKJ-IBGZPJMESA-N 1 3 358.530 2.538 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417244574 514257293 /nfs/dbraw/zinc/25/72/93/514257293.db2.gz XKJIUDKHVQCVMZ-JXFKEZNVSA-N 1 3 354.498 2.871 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417244574 514257301 /nfs/dbraw/zinc/25/73/01/514257301.db2.gz XKJIUDKHVQCVMZ-JXFKEZNVSA-N 1 3 354.498 2.871 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])c(C)c2)CC1 ZINC000414755234 514275613 /nfs/dbraw/zinc/27/56/13/514275613.db2.gz SYUKDIXDZGLJAJ-OXQOHEQNSA-N 1 3 373.545 2.728 20 0 FFADHO N[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000417299290 514282982 /nfs/dbraw/zinc/28/29/82/514282982.db2.gz VURJUFWEFVGZAM-OAQYLSRUSA-N 1 3 366.509 2.898 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCC(C)CC1 ZINC000417316713 514291209 /nfs/dbraw/zinc/29/12/09/514291209.db2.gz URYKZJDOCVATDT-AEFFLSMTSA-N 1 3 350.551 2.526 20 0 FFADHO CCOC(=O)Cn1nc(C)c(CN2CCC(CCC[NH+](C)C)CC2)c1C ZINC000438110765 514309416 /nfs/dbraw/zinc/30/94/16/514309416.db2.gz VOONMOVZYZXLGP-UHFFFAOYSA-N 1 3 364.534 2.617 20 0 FFADHO CC1(C)CN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCN1 ZINC000417362378 514313089 /nfs/dbraw/zinc/31/30/89/514313089.db2.gz ZZVYGHMCVDNOFC-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417363395 514313685 /nfs/dbraw/zinc/31/36/85/514313685.db2.gz KJIAEYICHMIJMN-CVEARBPZSA-N 1 3 352.548 2.777 20 0 FFADHO CCOCCOc1ccc(Br)cc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414835970 514316625 /nfs/dbraw/zinc/31/66/25/514316625.db2.gz SISNSHDUQCYNPK-AWEZNQCLSA-N 1 3 371.319 2.954 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420827813 514322873 /nfs/dbraw/zinc/32/28/73/514322873.db2.gz SQNXPVLLRMEFAJ-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420827813 514322878 /nfs/dbraw/zinc/32/28/78/514322878.db2.gz SQNXPVLLRMEFAJ-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414901959 514347288 /nfs/dbraw/zinc/34/72/88/514347288.db2.gz HFNVNLVWIWUWKH-GXTWGEPZSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414906796 514350267 /nfs/dbraw/zinc/35/02/67/514350267.db2.gz MRWHQVGSQDTUCY-QVKFZJNVSA-N 1 3 372.513 2.732 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906796 514350272 /nfs/dbraw/zinc/35/02/72/514350272.db2.gz MRWHQVGSQDTUCY-QVKFZJNVSA-N 1 3 372.513 2.732 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CN1Cc1ccccc1 ZINC000420894450 514358945 /nfs/dbraw/zinc/35/89/45/514358945.db2.gz ROJZCFHHVCZFMV-OXHPOLQJSA-N 1 3 358.530 2.821 20 0 FFADHO COC[C@]1(CNC2CCN(Cc3ccccc3Cl)CC2)CCC[NH2+]1 ZINC000414944677 514367701 /nfs/dbraw/zinc/36/77/01/514367701.db2.gz OIXOWSXHOASIFU-LJQANCHMSA-N 1 3 351.922 2.663 20 0 FFADHO COC[C@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCCN1 ZINC000414944677 514367710 /nfs/dbraw/zinc/36/77/10/514367710.db2.gz OIXOWSXHOASIFU-LJQANCHMSA-N 1 3 351.922 2.663 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000449829027 514376322 /nfs/dbraw/zinc/37/63/22/514376322.db2.gz YLOATSOWZASZIR-HLAWJBBLSA-N 1 3 373.541 2.673 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000449829027 514376331 /nfs/dbraw/zinc/37/63/31/514376331.db2.gz YLOATSOWZASZIR-HLAWJBBLSA-N 1 3 373.541 2.673 20 0 FFADHO O=C1CC[C@@H](NCc2cc(Cl)ccc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000414989282 514390059 /nfs/dbraw/zinc/39/00/59/514390059.db2.gz MWXSRRWKLSLWQD-WBVHZDCISA-N 1 3 356.297 2.730 20 0 FFADHO CC(C)CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414995047 514392623 /nfs/dbraw/zinc/39/26/23/514392623.db2.gz VPQOJPZJVQCVKR-IRLDBZIGSA-N 1 3 373.541 2.848 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417533579 514395461 /nfs/dbraw/zinc/39/54/61/514395461.db2.gz NBYJEKLLHPOCHP-NUJGCVRESA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)CN1 ZINC000417583677 514422171 /nfs/dbraw/zinc/42/21/71/514422171.db2.gz LFFUSFDGWVUIRN-XBPNIJIESA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)CN1 ZINC000417583677 514422176 /nfs/dbraw/zinc/42/21/76/514422176.db2.gz LFFUSFDGWVUIRN-XBPNIJIESA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H](CC[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(C(F)(F)F)c1 ZINC000415085100 514436536 /nfs/dbraw/zinc/43/65/36/514436536.db2.gz HWGXARIHSFCBBC-LSDHHAIUSA-N 1 3 371.447 2.986 20 0 FFADHO [NH3+]Cc1cn([C@H]2CCCN(CCCc3c(F)cccc3Cl)C2)nn1 ZINC000415103200 514444951 /nfs/dbraw/zinc/44/49/51/514444951.db2.gz CTTMYDZPHJHSIS-AWEZNQCLSA-N 1 3 351.857 2.799 20 0 FFADHO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCN(C(=O)CN)C3)s2)cc1 ZINC000415114764 514449446 /nfs/dbraw/zinc/44/94/46/514449446.db2.gz UAWYZOFOEYZOJO-HNNXBMFYSA-N 1 3 373.522 2.711 20 0 FFADHO Cc1cccc2ncc(CNCC3([NH3+])CCN(Cc4ccccc4)CC3)n21 ZINC000415124809 514454059 /nfs/dbraw/zinc/45/40/59/514454059.db2.gz CPMFZOQWONYODB-UHFFFAOYSA-N 1 3 363.509 2.726 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000438965345 514474127 /nfs/dbraw/zinc/47/41/27/514474127.db2.gz RVEBQJBAHPIOIQ-GJZGRUSLSA-N 1 3 351.457 2.982 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000433375480 514477247 /nfs/dbraw/zinc/47/72/47/514477247.db2.gz LMIGHTPYRIIPQO-WSTZPKSXSA-N 1 3 361.530 2.685 20 0 FFADHO CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475011686 514522597 /nfs/dbraw/zinc/52/25/97/514522597.db2.gz ZXTFUDULGRHADX-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@@H+]1C ZINC000466036112 514545168 /nfs/dbraw/zinc/54/51/68/514545168.db2.gz DONCWOVZSIPLRI-TZIWHRDSSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[N@H+]1C ZINC000466036112 514545169 /nfs/dbraw/zinc/54/51/69/514545169.db2.gz DONCWOVZSIPLRI-TZIWHRDSSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000455475873 514546311 /nfs/dbraw/zinc/54/63/11/514546311.db2.gz NMKQQKKBXDRNSL-XAOHYQHJSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455475873 514546316 /nfs/dbraw/zinc/54/63/16/514546316.db2.gz NMKQQKKBXDRNSL-XAOHYQHJSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000466227976 514583354 /nfs/dbraw/zinc/58/33/54/514583354.db2.gz UDXMPOFSHGFVMK-UZLBHIALSA-N 1 3 356.514 2.564 20 0 FFADHO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458137864 514583718 /nfs/dbraw/zinc/58/37/18/514583718.db2.gz VTFJKSIFBFBSBZ-WOJBJXKFSA-N 1 3 364.578 2.867 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453274544 514586300 /nfs/dbraw/zinc/58/63/00/514586300.db2.gz WKUODBSWEOUODN-ACESQOTJSA-N 1 3 371.569 2.866 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453274544 514586303 /nfs/dbraw/zinc/58/63/03/514586303.db2.gz WKUODBSWEOUODN-ACESQOTJSA-N 1 3 371.569 2.866 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453274544 514586305 /nfs/dbraw/zinc/58/63/05/514586305.db2.gz WKUODBSWEOUODN-ACESQOTJSA-N 1 3 371.569 2.866 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000497682136 514593301 /nfs/dbraw/zinc/59/33/01/514593301.db2.gz SHSYTISTOIZFSJ-GOSISDBHSA-N 1 3 353.551 2.693 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475270585 514597641 /nfs/dbraw/zinc/59/76/41/514597641.db2.gz RPDXSAMMKXHTAR-LEWJYISDSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475270585 514597648 /nfs/dbraw/zinc/59/76/48/514597648.db2.gz RPDXSAMMKXHTAR-LEWJYISDSA-N 1 3 372.557 2.880 20 0 FFADHO COc1cc(C)c(C[C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000502289872 514606430 /nfs/dbraw/zinc/60/64/30/514606430.db2.gz XJHSXZBDTSNQRI-MJGOQNOKSA-N 1 3 364.530 2.626 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000453402125 514620656 /nfs/dbraw/zinc/62/06/56/514620656.db2.gz PRJPBKVSFWUECX-HQRMLTQVSA-N 1 3 372.513 2.931 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000479537776 514621671 /nfs/dbraw/zinc/62/16/71/514621671.db2.gz OSIXQDJUHVGPBM-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000479537776 514621679 /nfs/dbraw/zinc/62/16/79/514621679.db2.gz OSIXQDJUHVGPBM-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC(=O)N1 ZINC000453425072 514630071 /nfs/dbraw/zinc/63/00/71/514630071.db2.gz NXBXIOXAVIKZHI-ITTUMRLJSA-N 1 3 355.526 2.936 20 0 FFADHO Clc1ccc(OCCN2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000479683162 514686195 /nfs/dbraw/zinc/68/61/95/514686195.db2.gz DVWJVRPZRSPRPY-UHFFFAOYSA-N 1 3 351.922 2.726 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000489055029 514687512 /nfs/dbraw/zinc/68/75/12/514687512.db2.gz QSDMVPUDOXLXJB-LAUBAEHRSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000489055029 514687517 /nfs/dbraw/zinc/68/75/17/514687517.db2.gz QSDMVPUDOXLXJB-LAUBAEHRSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000484568698 514694439 /nfs/dbraw/zinc/69/44/39/514694439.db2.gz OTITWOPBMARSQM-MDZRGWNJSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000484568698 514694448 /nfs/dbraw/zinc/69/44/48/514694448.db2.gz OTITWOPBMARSQM-MDZRGWNJSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000461725218 514707890 /nfs/dbraw/zinc/70/78/90/514707890.db2.gz KHQCSXKIJPWLMH-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000461725218 514707901 /nfs/dbraw/zinc/70/79/01/514707901.db2.gz KHQCSXKIJPWLMH-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000502646836 514727777 /nfs/dbraw/zinc/72/77/77/514727777.db2.gz APADIIYAYASXFE-CMKODMSKSA-N 1 3 373.541 2.560 20 0 FFADHO CON1CCC([N@H+](C)Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000453621538 514730676 /nfs/dbraw/zinc/73/06/76/514730676.db2.gz NLGUIJFTYHYBGJ-UHFFFAOYSA-N 1 3 360.546 2.675 20 0 FFADHO CON1CCC([N@@H+](C)Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000453621538 514730689 /nfs/dbraw/zinc/73/06/89/514730689.db2.gz NLGUIJFTYHYBGJ-UHFFFAOYSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000479818266 514733884 /nfs/dbraw/zinc/73/38/84/514733884.db2.gz QRWGAJFKGJRYEC-WIYYLYMNSA-N 1 3 370.541 2.703 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000498117941 514767398 /nfs/dbraw/zinc/76/73/98/514767398.db2.gz QIRSEYKUSQPGSU-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000489250787 514770426 /nfs/dbraw/zinc/77/04/26/514770426.db2.gz IUEOAWGGWVMHQZ-HLIPFELVSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000489250787 514770436 /nfs/dbraw/zinc/77/04/36/514770436.db2.gz IUEOAWGGWVMHQZ-HLIPFELVSA-N 1 3 358.530 2.679 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)[C@H]2C1 ZINC000498130768 514772974 /nfs/dbraw/zinc/77/29/74/514772974.db2.gz HKSZSWMAPYHXFJ-MOPGFXCFSA-N 1 3 362.562 2.911 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCN(C)[C@H](C)C3)CC2)CC1 ZINC000502829467 514798420 /nfs/dbraw/zinc/79/84/20/514798420.db2.gz YXRSLOBNXQSNNA-RRENTHDGSA-N 1 3 350.551 2.811 20 0 FFADHO CS[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[C@H]1N(C)C ZINC000455873637 514803255 /nfs/dbraw/zinc/80/32/55/514803255.db2.gz ZUCKSQMRIIVHOC-RCCFBDPRSA-N 1 3 362.543 2.745 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466937061 514832440 /nfs/dbraw/zinc/83/24/40/514832440.db2.gz ZKXYJYXOOWEBIS-NEPXVJNWSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN1CCc2ccccc2C1 ZINC000471379307 514856609 /nfs/dbraw/zinc/85/66/09/514856609.db2.gz GRDVRLMYXBICMB-CEXWTWQISA-N 1 3 357.542 2.917 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN1CCc2ccccc2C1 ZINC000471379307 514856617 /nfs/dbraw/zinc/85/66/17/514856617.db2.gz GRDVRLMYXBICMB-CEXWTWQISA-N 1 3 357.542 2.917 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000462086808 514874947 /nfs/dbraw/zinc/87/49/47/514874947.db2.gz YMNPTZXNILNVKI-FQEVSTJZSA-N 1 3 372.557 2.823 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000462086808 514874956 /nfs/dbraw/zinc/87/49/56/514874956.db2.gz YMNPTZXNILNVKI-FQEVSTJZSA-N 1 3 372.557 2.823 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000503040016 514892756 /nfs/dbraw/zinc/89/27/56/514892756.db2.gz SEVGIZNYQGOCGI-UXHICEINSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000503040016 514892762 /nfs/dbraw/zinc/89/27/62/514892762.db2.gz SEVGIZNYQGOCGI-UXHICEINSA-N 1 3 360.546 2.723 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000476056161 514900880 /nfs/dbraw/zinc/90/08/80/514900880.db2.gz PCMRRGGOKPZSFJ-SFHVURJKSA-N 1 3 370.582 2.541 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1)N(C)C ZINC000508873205 514931350 /nfs/dbraw/zinc/93/13/50/514931350.db2.gz SOLHKBFGUJVIDN-YLJYHZDGSA-N 1 3 360.546 2.969 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2-c2ccnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000508880807 514934731 /nfs/dbraw/zinc/93/47/31/514934731.db2.gz XBGXLURHJNYPBE-NQIIRXRSSA-N 1 3 367.541 2.545 20 0 FFADHO CCN1C[C@@H](C)N(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000498565626 514970366 /nfs/dbraw/zinc/97/03/66/514970366.db2.gz CHAIIQCZGHJNOF-WOJBJXKFSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458636994 514976794 /nfs/dbraw/zinc/97/67/94/514976794.db2.gz CIEQAOFXYCMEKE-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458636994 514976802 /nfs/dbraw/zinc/97/68/02/514976802.db2.gz CIEQAOFXYCMEKE-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000485276234 514980758 /nfs/dbraw/zinc/98/07/58/514980758.db2.gz OWAMRRAHLACVFO-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000485276234 514980770 /nfs/dbraw/zinc/98/07/70/514980770.db2.gz OWAMRRAHLACVFO-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000489939653 515041735 /nfs/dbraw/zinc/04/17/35/515041735.db2.gz ROMTWKQSKNXECE-WMQCIHAUSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000489939653 515041740 /nfs/dbraw/zinc/04/17/40/515041740.db2.gz ROMTWKQSKNXECE-WMQCIHAUSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000458732803 515053280 /nfs/dbraw/zinc/05/32/80/515053280.db2.gz LUDMJUNRYRJYMF-XLIONFOSSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000458732803 515053290 /nfs/dbraw/zinc/05/32/90/515053290.db2.gz LUDMJUNRYRJYMF-XLIONFOSSA-N 1 3 362.562 2.909 20 0 FFADHO Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000490027490 515074227 /nfs/dbraw/zinc/07/42/27/515074227.db2.gz AUCVTADIPPCEKJ-PKOBYXMFSA-N 1 3 355.526 2.916 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480798603 515086003 /nfs/dbraw/zinc/08/60/03/515086003.db2.gz WNJKSWSXNZJOMM-FPOVZHCZSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480798603 515086008 /nfs/dbraw/zinc/08/60/08/515086008.db2.gz WNJKSWSXNZJOMM-FPOVZHCZSA-N 1 3 357.542 2.930 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000462513600 515098208 /nfs/dbraw/zinc/09/82/08/515098208.db2.gz WSDPKWISKZEJPB-UHFFFAOYSA-N 1 3 370.607 2.577 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000472110126 515126850 /nfs/dbraw/zinc/12/68/50/515126850.db2.gz HSUNQJZTPYQPIN-HXUWFJFHSA-N 1 3 360.546 2.677 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000490184586 515133375 /nfs/dbraw/zinc/13/33/75/515133375.db2.gz LWJKPECRNJDADO-LJQANCHMSA-N 1 3 364.509 2.850 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000476650810 515141632 /nfs/dbraw/zinc/14/16/32/515141632.db2.gz CHSHLTFIKZCUJY-PMACEKPBSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CCN(C2CCC2)C1 ZINC000458854520 515145632 /nfs/dbraw/zinc/14/56/32/515145632.db2.gz PUXZNJBERHSOIF-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000490229745 515147174 /nfs/dbraw/zinc/14/71/74/515147174.db2.gz ISDHXARBZQBUCU-IFMALSPDSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000490229745 515147184 /nfs/dbraw/zinc/14/71/84/515147184.db2.gz ISDHXARBZQBUCU-IFMALSPDSA-N 1 3 372.557 2.880 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@]3(C)CCCN3Cc3ccccc3)C2)C1 ZINC000490238024 515151183 /nfs/dbraw/zinc/15/11/83/515151183.db2.gz GQIHYYTYWPCXCF-VXKWHMMOSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@]3(C)CCCN3Cc3ccccc3)C2)C1 ZINC000490238024 515151192 /nfs/dbraw/zinc/15/11/92/515151192.db2.gz GQIHYYTYWPCXCF-VXKWHMMOSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000499056928 515181694 /nfs/dbraw/zinc/18/16/94/515181694.db2.gz RNTLQVMBWMXZTI-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000499056928 515181706 /nfs/dbraw/zinc/18/17/06/515181706.db2.gz RNTLQVMBWMXZTI-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000499056928 515181714 /nfs/dbraw/zinc/18/17/14/515181714.db2.gz RNTLQVMBWMXZTI-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000499056928 515181722 /nfs/dbraw/zinc/18/17/22/515181722.db2.gz RNTLQVMBWMXZTI-MTIDIVMFSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)CC2(N3CCOCC3)CCCC2)([NH+](C)C)C1 ZINC000467993670 515189974 /nfs/dbraw/zinc/18/99/74/515189974.db2.gz LTTVKKQFJGRSNS-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)CC2(N3CCOCC3)CCCC2)([NH+](C)C)C1 ZINC000467993668 515190528 /nfs/dbraw/zinc/19/05/28/515190528.db2.gz LTTVKKQFJGRSNS-NQIIRXRSSA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000504016218 515198505 /nfs/dbraw/zinc/19/85/05/515198505.db2.gz DMRQHKAOLQXKMT-UHFFFAOYSA-N 1 3 362.518 2.869 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458966137 515232469 /nfs/dbraw/zinc/23/24/69/515232469.db2.gz FFLNFECMCIOSDP-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458966137 515232482 /nfs/dbraw/zinc/23/24/82/515232482.db2.gz FFLNFECMCIOSDP-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCC1 ZINC000458967302 515234984 /nfs/dbraw/zinc/23/49/84/515234984.db2.gz GGUZUVPKOTZQHC-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccco1 ZINC000509568033 515237223 /nfs/dbraw/zinc/23/72/23/515237223.db2.gz KJABSXVWTAPNBB-DLBZAZTESA-N 1 3 362.518 2.979 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccco1 ZINC000509577337 515241880 /nfs/dbraw/zinc/24/18/80/515241880.db2.gz LYKZBNXDXXJSNN-SJLPKXTDSA-N 1 3 362.518 2.979 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462783872 515242574 /nfs/dbraw/zinc/24/25/74/515242574.db2.gz XHZKWSFPAXZNRV-UHFFFAOYSA-N 1 3 361.530 2.759 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccco1 ZINC000509579442 515242643 /nfs/dbraw/zinc/24/26/43/515242643.db2.gz VBILULFBYLCDTQ-SJORKVTESA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccco1 ZINC000509579442 515242653 /nfs/dbraw/zinc/24/26/53/515242653.db2.gz VBILULFBYLCDTQ-SJORKVTESA-N 1 3 350.507 2.835 20 0 FFADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCOCC[NH+](C)C ZINC000499235584 515248483 /nfs/dbraw/zinc/24/84/83/515248483.db2.gz UOWBHFONFGULEB-UHFFFAOYSA-N 1 3 364.921 2.869 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccco1 ZINC000509592890 515249589 /nfs/dbraw/zinc/24/95/89/515249589.db2.gz BMDNNTGJGIDZJN-OKZBNKHCSA-N 1 3 362.518 2.979 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462801196 515251795 /nfs/dbraw/zinc/25/17/95/515251795.db2.gz IDRKXYYJEISJNZ-PKOBYXMFSA-N 1 3 363.571 2.698 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000476960214 515266688 /nfs/dbraw/zinc/26/66/88/515266688.db2.gz IYZFPROTVNRTFQ-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490650204 515273126 /nfs/dbraw/zinc/27/31/26/515273126.db2.gz PQUVKFSHSMAOFE-QAPCUYQASA-N 1 3 353.457 2.746 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490650204 515273134 /nfs/dbraw/zinc/27/31/34/515273134.db2.gz PQUVKFSHSMAOFE-QAPCUYQASA-N 1 3 353.457 2.746 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504346649 515281192 /nfs/dbraw/zinc/28/11/92/515281192.db2.gz XXELSKPRDHKRPC-SLFFLAALSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504346649 515281203 /nfs/dbraw/zinc/28/12/03/515281203.db2.gz XXELSKPRDHKRPC-SLFFLAALSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@@]1(CNC(=O)NCCC[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000490903248 515330614 /nfs/dbraw/zinc/33/06/14/515330614.db2.gz WJCMMSWIUVMTHV-NRFANRHFSA-N 1 3 358.530 2.826 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000463046614 515348357 /nfs/dbraw/zinc/34/83/57/515348357.db2.gz AKFOMRNNAAWSTJ-QAPCUYQASA-N 1 3 356.470 2.876 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000463046614 515348368 /nfs/dbraw/zinc/34/83/68/515348368.db2.gz AKFOMRNNAAWSTJ-QAPCUYQASA-N 1 3 356.470 2.876 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@]3(CCN(CCN4CCCOCC4)C3)C2)cc1 ZINC000463108825 515369730 /nfs/dbraw/zinc/36/97/30/515369730.db2.gz UXKJXHVKWAKWCQ-JOCHJYFZSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCN4CCCOCC4)C3)C2)cc1 ZINC000463108825 515369739 /nfs/dbraw/zinc/36/97/39/515369739.db2.gz UXKJXHVKWAKWCQ-JOCHJYFZSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(CN2CCC[C@]3(CC[N@@H+](CCN4CCCOCC4)C3)C2)cc1 ZINC000463108825 515369748 /nfs/dbraw/zinc/36/97/48/515369748.db2.gz UXKJXHVKWAKWCQ-JOCHJYFZSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(CN2CCC[C@]3(CC[N@H+](CCN4CCCOCC4)C3)C2)cc1 ZINC000463108825 515369761 /nfs/dbraw/zinc/36/97/61/515369761.db2.gz UXKJXHVKWAKWCQ-JOCHJYFZSA-N 1 3 357.542 2.697 20 0 FFADHO CN(C)CCOCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000463272748 515424910 /nfs/dbraw/zinc/42/49/10/515424910.db2.gz TZEYGAJTYKQULB-UHFFFAOYSA-N 1 3 357.901 2.611 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459257588 515426517 /nfs/dbraw/zinc/42/65/17/515426517.db2.gz JMBGZTGHWBPMTO-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459257588 515426528 /nfs/dbraw/zinc/42/65/28/515426528.db2.gz JMBGZTGHWBPMTO-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO C[C@H](CCNC(=O)NCCN1CCC[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000472973462 515462482 /nfs/dbraw/zinc/46/24/82/515462482.db2.gz ZJCKNOJPRBGBRC-RBUKOAKNSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](CCNC(=O)NCCN1CCC[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000472973462 515462490 /nfs/dbraw/zinc/46/24/90/515462490.db2.gz ZJCKNOJPRBGBRC-RBUKOAKNSA-N 1 3 360.546 2.928 20 0 FFADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1c1ccccc1 ZINC000459421895 515541107 /nfs/dbraw/zinc/54/11/07/515541107.db2.gz XJZWNFLLMOMUOD-FQEVSTJZSA-N 1 3 350.466 2.836 20 0 FFADHO Clc1cccnc1N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459436407 515547926 /nfs/dbraw/zinc/54/79/26/515547926.db2.gz PSDUKVANOWYDCZ-MRXNPFEDSA-N 1 3 357.889 2.967 20 0 FFADHO Cc1cc(N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc[nH+]1 ZINC000477751171 515578132 /nfs/dbraw/zinc/57/81/32/515578132.db2.gz QGBZHJFCJRFNFQ-UHFFFAOYSA-N 1 3 366.509 2.855 20 0 FFADHO CCO[C@@H]1C[C@@H](NCCC[NH+]2CCC(O)CC2)[C@H]1Sc1ccccc1 ZINC000459481736 515583618 /nfs/dbraw/zinc/58/36/18/515583618.db2.gz XKCZTQYZRGEMEA-VAMGGRTRSA-N 1 3 364.555 2.761 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000454576110 515585936 /nfs/dbraw/zinc/58/59/36/515585936.db2.gz IMWCGYGDGBZCDY-FPOVZHCZSA-N 1 3 372.557 2.882 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000454576110 515585944 /nfs/dbraw/zinc/58/59/44/515585944.db2.gz IMWCGYGDGBZCDY-FPOVZHCZSA-N 1 3 372.557 2.882 20 0 FFADHO OC[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H]1c1ccc(F)cc1 ZINC000459499012 515598050 /nfs/dbraw/zinc/59/80/50/515598050.db2.gz BVBSRHMDPNASHS-LEWJYISDSA-N 1 3 355.457 2.945 20 0 FFADHO O=C([C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1)N1CCCCC1 ZINC000459545938 515637963 /nfs/dbraw/zinc/63/79/63/515637963.db2.gz SZSGKJKQGJSYAQ-MJGOQNOKSA-N 1 3 356.514 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000454657005 515646485 /nfs/dbraw/zinc/64/64/85/515646485.db2.gz ZQCULECKWIROCB-GGPKGHCWSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@H+]1C ZINC000454657005 515646495 /nfs/dbraw/zinc/64/64/95/515646495.db2.gz ZQCULECKWIROCB-GGPKGHCWSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000457101575 515647451 /nfs/dbraw/zinc/64/74/51/515647451.db2.gz YOTZPEBSAIKYSS-RBSFLKMASA-N 1 3 363.468 2.836 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000457101575 515647459 /nfs/dbraw/zinc/64/74/59/515647459.db2.gz YOTZPEBSAIKYSS-RBSFLKMASA-N 1 3 363.468 2.836 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cc(F)ccc1F ZINC000505754087 515657278 /nfs/dbraw/zinc/65/72/78/515657278.db2.gz CTANUHVBECFMMY-GOSISDBHSA-N 1 3 367.484 2.772 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cc(F)ccc1F ZINC000505754087 515657284 /nfs/dbraw/zinc/65/72/84/515657284.db2.gz CTANUHVBECFMMY-GOSISDBHSA-N 1 3 367.484 2.772 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000493863789 515672224 /nfs/dbraw/zinc/67/22/24/515672224.db2.gz LWORQRKPLZVLSR-SFHVURJKSA-N 1 3 350.482 2.602 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000493863789 515672231 /nfs/dbraw/zinc/67/22/31/515672231.db2.gz LWORQRKPLZVLSR-SFHVURJKSA-N 1 3 350.482 2.602 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)C ZINC000482680848 515767016 /nfs/dbraw/zinc/76/70/16/515767016.db2.gz ZWYICEUVJNBBOW-JPLJXNOCSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N(C)C ZINC000482680848 515767024 /nfs/dbraw/zinc/76/70/24/515767024.db2.gz ZWYICEUVJNBBOW-JPLJXNOCSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459762399 515792357 /nfs/dbraw/zinc/79/23/57/515792357.db2.gz BPSBNNRSQWZYAQ-QMMLZNLJSA-N 1 3 355.526 2.854 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511215734 515830118 /nfs/dbraw/zinc/83/01/18/515830118.db2.gz JEARJEOBZGIUFW-BJLQDIEVSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511215734 515830126 /nfs/dbraw/zinc/83/01/26/515830126.db2.gz JEARJEOBZGIUFW-BJLQDIEVSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000474032431 515849409 /nfs/dbraw/zinc/84/94/09/515849409.db2.gz JTLDWTDXUQQMRA-WRJHFWDFSA-N 1 3 372.557 2.925 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000474032431 515849416 /nfs/dbraw/zinc/84/94/16/515849416.db2.gz JTLDWTDXUQQMRA-WRJHFWDFSA-N 1 3 372.557 2.925 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000487536751 515898383 /nfs/dbraw/zinc/89/83/83/515898383.db2.gz KDJOZXPYXCKSMA-RCCFBDPRSA-N 1 3 350.551 2.623 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000457487226 515910255 /nfs/dbraw/zinc/91/02/55/515910255.db2.gz ILUOEMVXQSEEEC-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000457487226 515910259 /nfs/dbraw/zinc/91/02/59/515910259.db2.gz ILUOEMVXQSEEEC-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000494758424 515951385 /nfs/dbraw/zinc/95/13/85/515951385.db2.gz QMURYMZOFSWNAG-SFTDATJTSA-N 1 3 352.478 2.737 20 0 FFADHO C[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)N(C)Cc1ccccc1 ZINC000474292283 515976584 /nfs/dbraw/zinc/97/65/84/515976584.db2.gz NRTHTAWCRBQFEC-KRWDZBQOSA-N 1 3 351.494 2.625 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000464882019 516003954 /nfs/dbraw/zinc/00/39/54/516003954.db2.gz FAFCXFAQDHRGGK-FQEVSTJZSA-N 1 3 363.521 2.925 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cc3ccccc3s2)C1)[C@@H]1CCC[NH2+]1 ZINC000469865825 516005443 /nfs/dbraw/zinc/00/54/43/516005443.db2.gz ZXGCKPMLJAKLQO-QAPCUYQASA-N 1 3 357.523 2.982 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000483393951 516064842 /nfs/dbraw/zinc/06/48/42/516064842.db2.gz IOEFCIZFUZIPOK-MSOLQXFVSA-N 1 3 355.592 2.927 20 0 FFADHO Cc1nc(COc2ccc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cc2)no1 ZINC000470000919 516070726 /nfs/dbraw/zinc/07/07/26/516070726.db2.gz VNWXLZRMKUPENS-LJQANCHMSA-N 1 3 356.470 2.921 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000470007282 516077703 /nfs/dbraw/zinc/07/77/03/516077703.db2.gz ABBUOVJLGOERFO-FQEVSTJZSA-N 1 3 367.493 2.553 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457733763 516107104 /nfs/dbraw/zinc/10/71/04/516107104.db2.gz KCPXYBHRIBCZOH-ZWKOTPCHSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457733763 516107116 /nfs/dbraw/zinc/10/71/16/516107116.db2.gz KCPXYBHRIBCZOH-ZWKOTPCHSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457736159 516109214 /nfs/dbraw/zinc/10/92/14/516109214.db2.gz LZCFKJFZGCABFG-SVFBPWRDSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457736159 516109222 /nfs/dbraw/zinc/10/92/22/516109222.db2.gz LZCFKJFZGCABFG-SVFBPWRDSA-N 1 3 364.578 2.872 20 0 FFADHO COc1ccc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000512024100 516120315 /nfs/dbraw/zinc/12/03/15/516120315.db2.gz MEVZDMQOEYXZPD-OAHLLOKOSA-N 1 3 371.319 2.784 20 0 FFADHO COc1ccc(CNCCCC[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000512024100 516120324 /nfs/dbraw/zinc/12/03/24/516120324.db2.gz MEVZDMQOEYXZPD-OAHLLOKOSA-N 1 3 371.319 2.784 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000465529867 516180760 /nfs/dbraw/zinc/18/07/60/516180760.db2.gz MLZCMCUDPPIWET-HYVNUMGLSA-N 1 3 352.548 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000465529867 516180769 /nfs/dbraw/zinc/18/07/69/516180769.db2.gz MLZCMCUDPPIWET-HYVNUMGLSA-N 1 3 352.548 2.913 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+]1CCCC[C@@H]1C ZINC000465532890 516183826 /nfs/dbraw/zinc/18/38/26/516183826.db2.gz WFBVDFXIWMSGNB-ZWKOTPCHSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+]1CCCC[C@@H]1C ZINC000465532890 516183834 /nfs/dbraw/zinc/18/38/34/516183834.db2.gz WFBVDFXIWMSGNB-ZWKOTPCHSA-N 1 3 372.557 2.648 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000507380732 516196049 /nfs/dbraw/zinc/19/60/49/516196049.db2.gz QMLZWQAAMHPWPB-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000507380732 516196055 /nfs/dbraw/zinc/19/60/55/516196055.db2.gz QMLZWQAAMHPWPB-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000488390926 516213114 /nfs/dbraw/zinc/21/31/14/516213114.db2.gz NVCUICXKPIAEMU-KRWDZBQOSA-N 1 3 363.521 2.927 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000501755142 516215428 /nfs/dbraw/zinc/21/54/28/516215428.db2.gz IWBABFYLHCJPLP-ZVDOUQERSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000501755142 516215432 /nfs/dbraw/zinc/21/54/32/516215432.db2.gz IWBABFYLHCJPLP-ZVDOUQERSA-N 1 3 372.557 2.928 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000470369914 516223766 /nfs/dbraw/zinc/22/37/66/516223766.db2.gz RSSKNOYUAJQNNP-UHFFFAOYSA-N 1 3 353.466 2.550 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000501869989 516251072 /nfs/dbraw/zinc/25/10/72/516251072.db2.gz KIDCZDJJSJQPOO-UHFFFAOYSA-N 1 3 373.589 2.815 20 0 FFADHO CCC[NH+](CCC)CCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488597429 516270370 /nfs/dbraw/zinc/27/03/70/516270370.db2.gz OWDHZFKOJAJZFN-IPMKNSEASA-N 1 3 352.567 2.870 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCSc4ccccc43)CC2)CC1 ZINC000460945429 516287946 /nfs/dbraw/zinc/28/79/46/516287946.db2.gz KWYPQBDUQVEJQL-IBGZPJMESA-N 1 3 373.566 2.941 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522867441 516334872 /nfs/dbraw/zinc/33/48/72/516334872.db2.gz YBISUOFBQZPRMQ-UXHICEINSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522867441 516334876 /nfs/dbraw/zinc/33/48/76/516334876.db2.gz YBISUOFBQZPRMQ-UXHICEINSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000517541692 516355636 /nfs/dbraw/zinc/35/56/36/516355636.db2.gz PYWSAIFMJUYPAR-ROUUACIJSA-N 1 3 354.583 2.972 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@@H]1C ZINC000535438422 516356739 /nfs/dbraw/zinc/35/67/39/516356739.db2.gz SWKCBMLRUBPZOZ-IJXRJRJASA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@@H]1C ZINC000535438422 516356754 /nfs/dbraw/zinc/35/67/54/516356754.db2.gz SWKCBMLRUBPZOZ-IJXRJRJASA-N 1 3 358.530 2.946 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(OC)cc3)CC2)CC1 ZINC000561072316 516362913 /nfs/dbraw/zinc/36/29/13/516362913.db2.gz XXABTHNGEPUGQS-UHFFFAOYSA-N 1 3 373.541 2.550 20 0 FFADHO C[C@H](NC(=O)[C@@H](CN)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000517563107 516365042 /nfs/dbraw/zinc/36/50/42/516365042.db2.gz HZUISLYXORTODP-SCWSEQNSSA-N 1 3 369.484 2.895 20 0 FFADHO C[C@H](NC(=O)[C@@H](CN)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517563107 516365050 /nfs/dbraw/zinc/36/50/50/516365050.db2.gz HZUISLYXORTODP-SCWSEQNSSA-N 1 3 369.484 2.895 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000523146294 516397455 /nfs/dbraw/zinc/39/74/55/516397455.db2.gz WALUJHFFZNZIDU-QUCCMNQESA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000523146294 516397469 /nfs/dbraw/zinc/39/74/69/516397469.db2.gz WALUJHFFZNZIDU-QUCCMNQESA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000517701951 516415896 /nfs/dbraw/zinc/41/58/96/516415896.db2.gz BRZDCHOWZQKQEV-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1C ZINC000540083214 516435106 /nfs/dbraw/zinc/43/51/06/516435106.db2.gz ZXDZCYKVSYXCLP-PXNSSMCTSA-N 1 3 373.545 2.812 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1C ZINC000540083214 516435116 /nfs/dbraw/zinc/43/51/16/516435116.db2.gz ZXDZCYKVSYXCLP-PXNSSMCTSA-N 1 3 373.545 2.812 20 0 FFADHO Cc1ncc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000531380705 516439463 /nfs/dbraw/zinc/43/94/63/516439463.db2.gz VTIWXCGWDSMXQF-UHFFFAOYSA-N 1 3 354.498 2.946 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000540169261 516461861 /nfs/dbraw/zinc/46/18/61/516461861.db2.gz BCABUVIRBDISFA-UHFFFAOYSA-N 1 3 355.526 2.892 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000531531061 516509799 /nfs/dbraw/zinc/50/97/99/516509799.db2.gz LFFSVVNLSKCDLV-IBGZPJMESA-N 1 3 372.557 2.708 20 0 FFADHO C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000518098314 516548879 /nfs/dbraw/zinc/54/88/79/516548879.db2.gz RUNAMDIZMYOFNJ-QYZOEREBSA-N 1 3 350.551 2.909 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000547801497 516571773 /nfs/dbraw/zinc/57/17/73/516571773.db2.gz PMTXGZNIYQRYSZ-FPOVZHCZSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000547801497 516571783 /nfs/dbraw/zinc/57/17/83/516571783.db2.gz PMTXGZNIYQRYSZ-FPOVZHCZSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000547801498 516572939 /nfs/dbraw/zinc/57/29/39/516572939.db2.gz PMTXGZNIYQRYSZ-PZJWPPBQSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000547801498 516572949 /nfs/dbraw/zinc/57/29/49/516572949.db2.gz PMTXGZNIYQRYSZ-PZJWPPBQSA-N 1 3 372.557 2.927 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513352626 516583283 /nfs/dbraw/zinc/58/32/83/516583283.db2.gz CLNCJGWJZQGNOQ-UGKGYDQZSA-N 1 3 367.541 2.624 20 0 FFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000531682578 516595584 /nfs/dbraw/zinc/59/55/84/516595584.db2.gz VFOOZCVJWOMAHW-LJQANCHMSA-N 1 3 374.573 2.561 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000523906942 516607433 /nfs/dbraw/zinc/60/74/33/516607433.db2.gz QERAQAVHAGVJCO-GOSISDBHSA-N 1 3 358.530 2.997 20 0 FFADHO CC[NH+]1CCC(N(C)C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000523971612 516620163 /nfs/dbraw/zinc/62/01/63/516620163.db2.gz OQNDVHMALLERAY-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000518371072 516633880 /nfs/dbraw/zinc/63/38/80/516633880.db2.gz MYCQQNQSYVALLI-JQVVWYNYSA-N 1 3 371.525 2.796 20 0 FFADHO CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H]1n1cccn1 ZINC000551320582 516658245 /nfs/dbraw/zinc/65/82/45/516658245.db2.gz SSBKJTQHONWFFG-DVWBAYGPSA-N 1 3 372.513 2.893 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000518469938 516672896 /nfs/dbraw/zinc/67/28/96/516672896.db2.gz PNSWZBDCYFNTJM-LJQANCHMSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000554886740 516680684 /nfs/dbraw/zinc/68/06/84/516680684.db2.gz HONBQFJTYVGUKI-SFHVURJKSA-N 1 3 372.557 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000554886740 516680697 /nfs/dbraw/zinc/68/06/97/516680697.db2.gz HONBQFJTYVGUKI-SFHVURJKSA-N 1 3 372.557 2.853 20 0 FFADHO C[C@@H](CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[NH+]1CCCCC1 ZINC000544292653 516683305 /nfs/dbraw/zinc/68/33/05/516683305.db2.gz PGWKYQAXWUSZFM-SFHVURJKSA-N 1 3 372.557 2.649 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000558418576 516732549 /nfs/dbraw/zinc/73/25/49/516732549.db2.gz AEXKTAAQWGIDRF-UHFFFAOYSA-N 1 3 367.921 2.569 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000536417885 516756041 /nfs/dbraw/zinc/75/60/41/516756041.db2.gz CXLJFWIEFQOEKV-UNMCSNQZSA-N 1 3 373.541 2.646 20 0 FFADHO CC[NH+](CC)CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000513900931 516794102 /nfs/dbraw/zinc/79/41/02/516794102.db2.gz JALHMSFSNXGWRV-UHFFFAOYSA-N 1 3 360.546 2.678 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000548163163 516800495 /nfs/dbraw/zinc/80/04/95/516800495.db2.gz ZSIQVRHWXYOPMC-ILWGZMRPSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000548163163 516800504 /nfs/dbraw/zinc/80/05/04/516800504.db2.gz ZSIQVRHWXYOPMC-ILWGZMRPSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000548163163 516800514 /nfs/dbraw/zinc/80/05/14/516800514.db2.gz ZSIQVRHWXYOPMC-ILWGZMRPSA-N 1 3 359.558 2.843 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccsc1 ZINC000524782943 516829595 /nfs/dbraw/zinc/82/95/95/516829595.db2.gz CIZAPOBOCLPANA-AEFFLSMTSA-N 1 3 366.575 2.737 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccsc1 ZINC000524782943 516829600 /nfs/dbraw/zinc/82/96/00/516829600.db2.gz CIZAPOBOCLPANA-AEFFLSMTSA-N 1 3 366.575 2.737 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000514046425 516839628 /nfs/dbraw/zinc/83/96/28/516839628.db2.gz RPARNXHGAGLTQV-PZJWPPBQSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000514046425 516839634 /nfs/dbraw/zinc/83/96/34/516839634.db2.gz RPARNXHGAGLTQV-PZJWPPBQSA-N 1 3 370.541 2.825 20 0 FFADHO CC(C)c1ccc(C[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000536592708 516839769 /nfs/dbraw/zinc/83/97/69/516839769.db2.gz RKLIUQRGZDIUJX-GOSISDBHSA-N 1 3 362.562 2.876 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000514054802 516844087 /nfs/dbraw/zinc/84/40/87/516844087.db2.gz WIQNKWFEHFWWII-AOIWGVFYSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000514054802 516844099 /nfs/dbraw/zinc/84/40/99/516844099.db2.gz WIQNKWFEHFWWII-AOIWGVFYSA-N 1 3 356.514 2.605 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000514168557 516887738 /nfs/dbraw/zinc/88/77/38/516887738.db2.gz ZFGQLTMPBZPQAT-AZUAARDMSA-N 1 3 360.546 2.883 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000514168557 516887747 /nfs/dbraw/zinc/88/77/47/516887747.db2.gz ZFGQLTMPBZPQAT-AZUAARDMSA-N 1 3 360.546 2.883 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000514663381 516988703 /nfs/dbraw/zinc/98/87/03/516988703.db2.gz OIDHFULVCFVSKA-OALUTQOASA-N 1 3 358.530 2.667 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558890300 516989659 /nfs/dbraw/zinc/98/96/59/516989659.db2.gz STVBGLQDAVKKIP-KRWDZBQOSA-N 1 3 354.926 2.974 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558890300 516989671 /nfs/dbraw/zinc/98/96/71/516989671.db2.gz STVBGLQDAVKKIP-KRWDZBQOSA-N 1 3 354.926 2.974 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000558899156 516992959 /nfs/dbraw/zinc/99/29/59/516992959.db2.gz WGXDMKKWVMMHMO-MAUKXSAKSA-N 1 3 366.937 2.974 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558908699 516998450 /nfs/dbraw/zinc/99/84/50/516998450.db2.gz UBVJBMWOSQEDQX-JEBQAFNWSA-N 1 3 364.921 2.725 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558908699 516998461 /nfs/dbraw/zinc/99/84/61/516998461.db2.gz UBVJBMWOSQEDQX-JEBQAFNWSA-N 1 3 364.921 2.725 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000525399353 517030486 /nfs/dbraw/zinc/03/04/86/517030486.db2.gz KCRIMALRIVWGRZ-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000525399353 517030491 /nfs/dbraw/zinc/03/04/91/517030491.db2.gz KCRIMALRIVWGRZ-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)N(CC[NH+](C)C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552118103 517090834 /nfs/dbraw/zinc/09/08/34/517090834.db2.gz WJXPZRUWXPVXDS-GOSISDBHSA-N 1 3 367.484 2.942 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000514854765 517092786 /nfs/dbraw/zinc/09/27/86/517092786.db2.gz LWULKLQUUMYGAX-BAGYTPMASA-N 1 3 358.574 2.876 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)c1ccccc1 ZINC000525814362 517178067 /nfs/dbraw/zinc/17/80/67/517178067.db2.gz FMWHQGMTXFJUHP-LJQANCHMSA-N 1 3 362.562 2.878 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000519829044 517206921 /nfs/dbraw/zinc/20/69/21/517206921.db2.gz SUKQUZJVGQCOOK-STZQEDGTSA-N 1 3 365.521 2.973 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000525885077 517215944 /nfs/dbraw/zinc/21/59/44/517215944.db2.gz AARWFQJFZYMGFS-UHFFFAOYSA-N 1 3 363.893 2.845 20 0 FFADHO C[C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)N(C)Cc1ccccc1 ZINC000541840330 517244653 /nfs/dbraw/zinc/24/46/53/517244653.db2.gz NNWIHFIRSPZEMH-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](CC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)N1CCCCC1 ZINC000556173736 517298321 /nfs/dbraw/zinc/29/83/21/517298321.db2.gz YSQALMIBYPDERS-DNVCBOLYSA-N 1 3 365.543 2.566 20 0 FFADHO Cc1cc(C)c([C@H](C)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)c1 ZINC000520379395 517368383 /nfs/dbraw/zinc/36/83/83/517368383.db2.gz USJAFUSJYYXSHJ-SXLOBPIMSA-N 1 3 370.541 2.893 20 0 FFADHO CCc1ncsc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000515495213 517380354 /nfs/dbraw/zinc/38/03/54/517380354.db2.gz AKNZKNGXTAGQNB-UHFFFAOYSA-N 1 3 350.532 2.840 20 0 FFADHO COC[C@H](O)CN[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549116845 517407335 /nfs/dbraw/zinc/40/73/35/517407335.db2.gz REUYSVIHAILYQS-MSEHENTLSA-N 1 3 352.906 2.851 20 0 FFADHO COC[C@H](O)CN[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549116845 517407343 /nfs/dbraw/zinc/40/73/43/517407343.db2.gz REUYSVIHAILYQS-MSEHENTLSA-N 1 3 352.906 2.851 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000562811213 517425791 /nfs/dbraw/zinc/42/57/91/517425791.db2.gz VOLIRGNXYCYXTG-DYESRHJHSA-N 1 3 358.530 2.901 20 0 FFADHO [NH3+]C1(CNC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCC1 ZINC000562817161 517428642 /nfs/dbraw/zinc/42/86/42/517428642.db2.gz UYILIMIUOOITCP-HXUWFJFHSA-N 1 3 356.514 2.566 20 0 FFADHO C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545912456 517429917 /nfs/dbraw/zinc/42/99/17/517429917.db2.gz IAGPWHBHRSVWFY-FXAWDEMLSA-N 1 3 360.546 2.835 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@](C)(OC)C3(C)C)CC2)CC1 ZINC000520606795 517454727 /nfs/dbraw/zinc/45/47/27/517454727.db2.gz VAVIACKHDNHBHH-RXVVDRJESA-N 1 3 365.562 2.503 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000515828453 517487316 /nfs/dbraw/zinc/48/73/16/517487316.db2.gz RKWJIEINHBDZNL-NRFANRHFSA-N 1 3 374.573 2.923 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@@H](C)N3[C@H](C)CC[C@@H]3C)CCCC2)CC1 ZINC000520770765 517508132 /nfs/dbraw/zinc/50/81/32/517508132.db2.gz QJBDEAPESCZKHA-FGTMMUONSA-N 1 3 365.562 2.788 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cc3cccs3)CC2)CC1 ZINC000553095367 517520375 /nfs/dbraw/zinc/52/03/75/517520375.db2.gz SONRYIQBAMNZJK-MRXNPFEDSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@H](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542379247 517529479 /nfs/dbraw/zinc/52/94/79/517529479.db2.gz VWLKVRNIQQYNJY-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CN1Cc1ccccc1 ZINC000516025926 517541487 /nfs/dbraw/zinc/54/14/87/517541487.db2.gz VWEMCRDSTVRCNA-SOAMZJECSA-N 1 3 358.530 2.714 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3ccccc3)CC2)CC1 ZINC000553148448 517543864 /nfs/dbraw/zinc/54/38/64/517543864.db2.gz QVYIFSVWOZSWNU-UHFFFAOYSA-N 1 3 357.542 2.932 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccc(F)c3)CC2)CC1 ZINC000553183017 517563103 /nfs/dbraw/zinc/56/31/03/517563103.db2.gz FBQCNWUIINLQQI-UHFFFAOYSA-N 1 3 361.505 2.980 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000521068699 517603566 /nfs/dbraw/zinc/60/35/66/517603566.db2.gz GEAIITFXSJLOIU-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000521068699 517603579 /nfs/dbraw/zinc/60/35/79/517603579.db2.gz GEAIITFXSJLOIU-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000533810682 517623884 /nfs/dbraw/zinc/62/38/84/517623884.db2.gz FOQCNBRKXHGKAS-IBGZPJMESA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000533810682 517623892 /nfs/dbraw/zinc/62/38/92/517623892.db2.gz FOQCNBRKXHGKAS-IBGZPJMESA-N 1 3 360.546 2.675 20 0 FFADHO Fc1ccc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249647 517656855 /nfs/dbraw/zinc/65/68/55/517656855.db2.gz XFIJLQMQLJXRRT-LJQANCHMSA-N 1 3 358.461 2.806 20 0 FFADHO CCc1nocc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000549710781 517668530 /nfs/dbraw/zinc/66/85/30/517668530.db2.gz FCFVSEXIOFOJLT-UHFFFAOYSA-N 1 3 356.514 2.925 20 0 FFADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563149281 517693735 /nfs/dbraw/zinc/69/37/35/517693735.db2.gz HPUMTEHUEGNPCU-KFWWJZLASA-N 1 3 367.896 2.757 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000527464803 517693764 /nfs/dbraw/zinc/69/37/64/517693764.db2.gz PWOSUPFQMJAJPQ-IEBWSBKVSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@H](Oc1ccc2ccccc2c1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527497994 517711277 /nfs/dbraw/zinc/71/12/77/517711277.db2.gz ACDIGOQZVCDNFX-KRWDZBQOSA-N 1 3 357.498 2.559 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC000516579302 517752418 /nfs/dbraw/zinc/75/24/18/517752418.db2.gz NUURVDOUNVGNAW-HBFSDRIKSA-N 1 3 358.530 2.853 20 0 FFADHO Cn1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(-c2cccs2)n1 ZINC000556964133 517778574 /nfs/dbraw/zinc/77/85/74/517778574.db2.gz FOZCLYDELVSERT-LPHOPBHVSA-N 1 3 360.527 2.867 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000521698002 517832083 /nfs/dbraw/zinc/83/20/83/517832083.db2.gz NGMKUQQEZDMIKT-GGPKGHCWSA-N 1 3 360.546 2.721 20 0 FFADHO CN(C)CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1 ZINC000563374757 517860841 /nfs/dbraw/zinc/86/08/41/517860841.db2.gz SACLAWXCFXEQEC-IBGZPJMESA-N 1 3 361.555 2.799 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000557137904 517874491 /nfs/dbraw/zinc/87/44/91/517874491.db2.gz KILUCHAMIQPDMY-BRWVUGGUSA-N 1 3 364.559 2.948 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000557193159 517910450 /nfs/dbraw/zinc/91/04/50/517910450.db2.gz FNJJACUOZVAOIF-FXAWDEMLSA-N 1 3 356.514 2.506 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000550218221 517934014 /nfs/dbraw/zinc/93/40/14/517934014.db2.gz ICFKROSTDVIVHZ-ROUUACIJSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563507174 517944164 /nfs/dbraw/zinc/94/41/64/517944164.db2.gz KPIYUSIWCHYWGI-BZUAXINKSA-N 1 3 360.502 2.657 20 0 FFADHO [NH3+][C@H]1C[C@H]2CN(c3ccnc4ccc(Oc5ccccc5)cc43)CCN2C1=O ZINC000522014153 517950965 /nfs/dbraw/zinc/95/09/65/517950965.db2.gz PFGQRTVSHHXUCE-KXBFYZLASA-N 1 3 374.444 2.775 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000522078339 517979259 /nfs/dbraw/zinc/97/92/59/517979259.db2.gz XLDNRNQXMXKTRS-FQEVSTJZSA-N 1 3 358.530 2.905 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000522078339 517979265 /nfs/dbraw/zinc/97/92/65/517979265.db2.gz XLDNRNQXMXKTRS-FQEVSTJZSA-N 1 3 358.530 2.905 20 0 FFADHO CC[C@@H](C(=O)NCC1(N2CCSCC2)CCCCC1)[NH+](CC)CC ZINC000530817654 517991721 /nfs/dbraw/zinc/99/17/21/517991721.db2.gz XLOOJCKCTGWEQW-KRWDZBQOSA-N 1 3 355.592 2.975 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522199079 518027820 /nfs/dbraw/zinc/02/78/20/518027820.db2.gz SPDSSNWYXLHPFF-PZJWPPBQSA-N 1 3 372.557 2.922 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522199079 518027824 /nfs/dbraw/zinc/02/78/24/518027824.db2.gz SPDSSNWYXLHPFF-PZJWPPBQSA-N 1 3 372.557 2.922 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCCC[C@H]1C ZINC000517149054 518041947 /nfs/dbraw/zinc/04/19/47/518041947.db2.gz QPQUIFWICADXRR-QRVBRYPASA-N 1 3 350.551 2.909 20 0 FFADHO CCc1cccc(OCC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000522286264 518064207 /nfs/dbraw/zinc/06/42/07/518064207.db2.gz TYEWCEXZOUUPLL-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CCc1cccc(OCC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000522286264 518064213 /nfs/dbraw/zinc/06/42/13/518064213.db2.gz TYEWCEXZOUUPLL-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000522289388 518067219 /nfs/dbraw/zinc/06/72/19/518067219.db2.gz BTILXZITVFGAMJ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000517389882 518136494 /nfs/dbraw/zinc/13/64/94/518136494.db2.gz UYZLFZYVHVTSTL-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531136142 518149836 /nfs/dbraw/zinc/14/98/36/518149836.db2.gz ZQKPOWAGSVIGSQ-LJQANCHMSA-N 1 3 370.541 2.817 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535164941 518161259 /nfs/dbraw/zinc/16/12/59/518161259.db2.gz CVLKPDFXPDWZDH-SCTDSRPQSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000535258303 518170675 /nfs/dbraw/zinc/17/06/75/518170675.db2.gz OOJUCXXVUSBTKA-LJQANCHMSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535364506 518176720 /nfs/dbraw/zinc/17/67/20/518176720.db2.gz XMTRRPOJJWXAEW-HNJRGHQBSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535364506 518176721 /nfs/dbraw/zinc/17/67/21/518176721.db2.gz XMTRRPOJJWXAEW-HNJRGHQBSA-N 1 3 358.530 2.994 20 0 FFADHO O=C(CCNCc1ccccc1C[N@H+]1CCC[C@@H]1CO)Nc1ccccc1 ZINC000569693434 518243770 /nfs/dbraw/zinc/24/37/70/518243770.db2.gz MEJBMPCKEVAYCX-OAQYLSRUSA-N 1 3 367.493 2.762 20 0 FFADHO O=C(CCNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)Nc1ccccc1 ZINC000569693434 518243776 /nfs/dbraw/zinc/24/37/76/518243776.db2.gz MEJBMPCKEVAYCX-OAQYLSRUSA-N 1 3 367.493 2.762 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000563964962 518251669 /nfs/dbraw/zinc/25/16/69/518251669.db2.gz QSXAMQPGIIABLA-WIYYLYMNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000563964962 518251674 /nfs/dbraw/zinc/25/16/74/518251674.db2.gz QSXAMQPGIIABLA-WIYYLYMNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000563964961 518251697 /nfs/dbraw/zinc/25/16/97/518251697.db2.gz QSXAMQPGIIABLA-RXVVDRJESA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000563964961 518251706 /nfs/dbraw/zinc/25/17/06/518251706.db2.gz QSXAMQPGIIABLA-RXVVDRJESA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000578606248 518288100 /nfs/dbraw/zinc/28/81/00/518288100.db2.gz LXGQJHSJGJSJKD-QFBILLFUSA-N 1 3 360.502 2.671 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000564063067 518291335 /nfs/dbraw/zinc/29/13/35/518291335.db2.gz SQFNZNPKYSXEMC-TZIWHRDSSA-N 1 3 358.530 2.855 20 0 FFADHO O=C([C@@H]1CNCc2ccccc21)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000578646811 518310118 /nfs/dbraw/zinc/31/01/18/518310118.db2.gz NBFSQHFRHQBRET-GHTZIAJQSA-N 1 3 355.526 2.988 20 0 FFADHO CSc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000572751234 518344783 /nfs/dbraw/zinc/34/47/83/518344783.db2.gz AIYZKDIQALFUCS-QGZVFWFLSA-N 1 3 352.544 2.858 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000569925748 518358842 /nfs/dbraw/zinc/35/88/42/518358842.db2.gz UERIBPLULOHUNY-OXJNMPFZSA-N 1 3 352.482 2.608 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H]2CCC[C@H]21 ZINC000569949037 518372259 /nfs/dbraw/zinc/37/22/59/518372259.db2.gz IODGVOPCDKUPKC-YUMYIRISSA-N 1 3 357.542 2.740 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000569957113 518376092 /nfs/dbraw/zinc/37/60/92/518376092.db2.gz HYLOMKVBWJSZGI-SWLSCSKDSA-N 1 3 353.894 2.963 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCCC[NH2+]C(C)C)N(C)C)cc1 ZINC000576015154 518388303 /nfs/dbraw/zinc/38/83/03/518388303.db2.gz QJSUBWMYAPXITN-QGZVFWFLSA-N 1 3 352.548 2.699 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nccn1-c1ccccc1 ZINC000564319308 518397073 /nfs/dbraw/zinc/39/70/73/518397073.db2.gz HAZGZHLRKRHOGD-HXUWFJFHSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nccn1-c1ccccc1 ZINC000564319308 518397075 /nfs/dbraw/zinc/39/70/75/518397075.db2.gz HAZGZHLRKRHOGD-HXUWFJFHSA-N 1 3 355.530 2.720 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000584585809 518411331 /nfs/dbraw/zinc/41/13/31/518411331.db2.gz YAXFDEJCAHZCIQ-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000584585809 518411335 /nfs/dbraw/zinc/41/13/35/518411335.db2.gz YAXFDEJCAHZCIQ-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000584585809 518411340 /nfs/dbraw/zinc/41/13/40/518411340.db2.gz YAXFDEJCAHZCIQ-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578892967 518424946 /nfs/dbraw/zinc/42/49/46/518424946.db2.gz JJASKRANEQNANB-MCIONIFRSA-N 1 3 366.303 2.708 20 0 FFADHO CCC[N@H+](C[C@H](O)CN(C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564385368 518425951 /nfs/dbraw/zinc/42/59/51/518425951.db2.gz PUEPGPWNFSTQQF-FCHUYYIVSA-N 1 3 359.558 2.818 20 0 FFADHO CCC[N@@H+](C[C@H](O)CN(C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564385368 518425954 /nfs/dbraw/zinc/42/59/54/518425954.db2.gz PUEPGPWNFSTQQF-FCHUYYIVSA-N 1 3 359.558 2.818 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000584709157 518440737 /nfs/dbraw/zinc/44/07/37/518440737.db2.gz URRWTKRPCGWSKU-LEWJYISDSA-N 1 3 370.541 2.647 20 0 FFADHO CN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCN(C2CC2)C1 ZINC000581777378 518450728 /nfs/dbraw/zinc/45/07/28/518450728.db2.gz BUBWBTUNRSLCEF-UXHICEINSA-N 1 3 352.482 2.718 20 0 FFADHO CCN(C[C@H]1CCCN1CC)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000570142672 518461671 /nfs/dbraw/zinc/46/16/71/518461671.db2.gz JSFNEHTYGNSRBV-QZTJIDSGSA-N 1 3 353.576 2.537 20 0 FFADHO CC(C)C[C@H]([NH2+]CCc1ccc(F)cc1Cl)C(=O)NCCN(C)C ZINC000564536436 518492109 /nfs/dbraw/zinc/49/21/09/518492109.db2.gz HEFWJMPGBCEUEW-KRWDZBQOSA-N 1 3 357.901 2.704 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(c1)CNC2 ZINC000584836187 518501747 /nfs/dbraw/zinc/50/17/47/518501747.db2.gz CFHLRAFXSSZOLU-UHFFFAOYSA-N 1 3 359.420 2.772 20 0 FFADHO [NH3+]C1(CNC2CCN(Cc3ccccn3)CC2)C2CC3CC(C2)CC1C3 ZINC000581937906 518511830 /nfs/dbraw/zinc/51/18/30/518511830.db2.gz CCCBPYJDTDOEQE-UHFFFAOYSA-N 1 3 354.542 2.789 20 0 FFADHO NC1(C[NH2+]C2CCN(Cc3ccccn3)CC2)C2CC3CC(C2)CC1C3 ZINC000581937906 518511839 /nfs/dbraw/zinc/51/18/39/518511839.db2.gz CCCBPYJDTDOEQE-UHFFFAOYSA-N 1 3 354.542 2.789 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[N@@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000573148200 518527925 /nfs/dbraw/zinc/52/79/25/518527925.db2.gz AKFZSEAPXMYEPL-GUDVDZBRSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[N@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000573148200 518527932 /nfs/dbraw/zinc/52/79/32/518527932.db2.gz AKFZSEAPXMYEPL-GUDVDZBRSA-N 1 3 365.562 2.599 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000579123930 518533901 /nfs/dbraw/zinc/53/39/01/518533901.db2.gz ADIPZFBJCDJIRQ-SFHVURJKSA-N 1 3 373.463 2.526 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000579123930 518533908 /nfs/dbraw/zinc/53/39/08/518533908.db2.gz ADIPZFBJCDJIRQ-SFHVURJKSA-N 1 3 373.463 2.526 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000581991704 518535306 /nfs/dbraw/zinc/53/53/06/518535306.db2.gz YHEKUSRUZNXHJY-QGZVFWFLSA-N 1 3 350.466 2.933 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000581991704 518535316 /nfs/dbraw/zinc/53/53/16/518535316.db2.gz YHEKUSRUZNXHJY-QGZVFWFLSA-N 1 3 350.466 2.933 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H](C)CN1 ZINC000564640972 518538929 /nfs/dbraw/zinc/53/89/29/518538929.db2.gz LZZKFMXAEXPWFA-SJORKVTESA-N 1 3 360.502 2.765 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCc1ccncc1OCC[NH+](C)C ZINC000582026401 518551419 /nfs/dbraw/zinc/55/14/19/518551419.db2.gz FXBPUKSCLTYUPR-OAHLLOKOSA-N 1 3 374.460 2.668 20 0 FFADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccn1 ZINC000576411926 518580711 /nfs/dbraw/zinc/58/07/11/518580711.db2.gz JZQKZUPHXGVDMV-UZLBHIALSA-N 1 3 355.482 2.898 20 0 FFADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccn1 ZINC000576411926 518580718 /nfs/dbraw/zinc/58/07/18/518580718.db2.gz JZQKZUPHXGVDMV-UZLBHIALSA-N 1 3 355.482 2.898 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3CSC)CC2)CC1 ZINC000570408411 518592523 /nfs/dbraw/zinc/59/25/23/518592523.db2.gz BGRCGAPSKJMWSY-GOSISDBHSA-N 1 3 353.576 2.537 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000582111918 518593872 /nfs/dbraw/zinc/59/38/72/518593872.db2.gz QETDGNHBJMCEOU-AVRDEDQJSA-N 1 3 370.541 2.997 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000570453201 518614770 /nfs/dbraw/zinc/61/47/70/518614770.db2.gz PXJOTNGHQUXFKG-NUJGCVRESA-N 1 3 369.431 2.957 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)Nc3ccc4c(c3)CNC4)CCCC2)CC1 ZINC000579330466 518629167 /nfs/dbraw/zinc/62/91/67/518629167.db2.gz BVBAWJGZSCTQIF-UHFFFAOYSA-N 1 3 372.513 2.835 20 0 FFADHO [NH3+][C@@H]1C[C@@H](NCc2ccc(CN3CCC(O)CC3)cc2)c2ccccc21 ZINC000564824695 518635481 /nfs/dbraw/zinc/63/54/81/518635481.db2.gz WRQJRTISSKTECL-FGZHOGPDSA-N 1 3 351.494 2.878 20 0 FFADHO NCc1cccnc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000570499932 518637440 /nfs/dbraw/zinc/63/74/40/518637440.db2.gz UXVBSUSBJURLAC-MOPGFXCFSA-N 1 3 365.481 2.526 20 0 FFADHO NCc1cccnc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000570499932 518637443 /nfs/dbraw/zinc/63/74/43/518637443.db2.gz UXVBSUSBJURLAC-MOPGFXCFSA-N 1 3 365.481 2.526 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c(OC)c1 ZINC000576578782 518660978 /nfs/dbraw/zinc/66/09/78/518660978.db2.gz OCBBBXXKJMOTSC-FOSBAXRVSA-N 1 3 360.498 2.708 20 0 FFADHO C[C@H](NC[C@@H](CO)Cc1ccccc1OC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000579461813 518692530 /nfs/dbraw/zinc/69/25/30/518692530.db2.gz XVHYSGXJJVITAC-DZKIICNBSA-N 1 3 360.420 2.714 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)C1 ZINC000582348214 518709566 /nfs/dbraw/zinc/70/95/66/518709566.db2.gz SSKWWTFKKBZCDT-RTWAWAEBSA-N 1 3 372.488 2.789 20 0 FFADHO CCOC(=O)c1nc(-c2ccccc2)oc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564985031 518727695 /nfs/dbraw/zinc/72/76/95/518727695.db2.gz RYXGPQCGXXMIEU-CALCHBBNSA-N 1 3 369.465 2.950 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000573562164 518728887 /nfs/dbraw/zinc/72/88/87/518728887.db2.gz ONRVRAUHBNIISG-FUHIMQAGSA-N 1 3 358.530 2.622 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000573562164 518728894 /nfs/dbraw/zinc/72/88/94/518728894.db2.gz ONRVRAUHBNIISG-FUHIMQAGSA-N 1 3 358.530 2.622 20 0 FFADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccccc1CN(C)C ZINC000564991854 518733245 /nfs/dbraw/zinc/73/32/45/518733245.db2.gz PBGCMPPGTNOMCN-MRXNPFEDSA-N 1 3 372.538 2.765 20 0 FFADHO Cc1nc(COc2ccc(C[N@H+]3CCC[C@H]4CN(C)CC[C@H]43)cc2)no1 ZINC000582514395 518789555 /nfs/dbraw/zinc/78/95/55/518789555.db2.gz NEFHBLHQSJZZTH-PKOBYXMFSA-N 1 3 356.470 2.873 20 0 FFADHO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H]4CN(C)CC[C@H]43)cc2)no1 ZINC000582514395 518789559 /nfs/dbraw/zinc/78/95/59/518789559.db2.gz NEFHBLHQSJZZTH-PKOBYXMFSA-N 1 3 356.470 2.873 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000567947989 518796665 /nfs/dbraw/zinc/79/66/65/518796665.db2.gz DWDQQMZCMKSYFZ-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO [NH3+][C@H]1CCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000570911182 518839024 /nfs/dbraw/zinc/83/90/24/518839024.db2.gz NZSZNTOMQNJNTH-IRXDYDNUSA-N 1 3 368.591 2.555 20 0 FFADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000565227281 518853883 /nfs/dbraw/zinc/85/38/83/518853883.db2.gz UIRWYDSJGCCEKZ-SCTDSRPQSA-N 1 3 359.514 2.998 20 0 FFADHO CCO[C@@H](C)c1nc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000582849503 518951785 /nfs/dbraw/zinc/95/17/85/518951785.db2.gz VYEFOHKFLPTPME-IRXDYDNUSA-N 1 3 366.575 2.748 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)CC(F)(F)F)CC2)CC1 ZINC000580094776 519006050 /nfs/dbraw/zinc/00/60/50/519006050.db2.gz VOKVIGOJWOROEK-AWEZNQCLSA-N 1 3 363.468 2.887 20 0 FFADHO O=C1[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000565599320 519037405 /nfs/dbraw/zinc/03/74/05/519037405.db2.gz ZHARRBFLJCNCDL-JKIFEVAISA-N 1 3 367.415 2.742 20 0 FFADHO NC[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000571387912 519071534 /nfs/dbraw/zinc/07/15/34/519071534.db2.gz SDCBTBMWNIQBIC-BDTNDASRSA-N 1 3 374.488 2.976 20 0 FFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000580231087 519072317 /nfs/dbraw/zinc/07/23/17/519072317.db2.gz ODJFNRBCZZKAQL-LPHOPBHVSA-N 1 3 360.502 2.718 20 0 FFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000580323804 519119937 /nfs/dbraw/zinc/11/99/37/519119937.db2.gz JPAOIGYLMSQSFG-CVEARBPZSA-N 1 3 367.484 2.881 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H](N)c1ccccc1 ZINC000565940719 519208430 /nfs/dbraw/zinc/20/84/30/519208430.db2.gz OKDFNVZMGRJBKD-NSGGIEJNSA-N 1 3 369.484 2.971 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000580548420 519232596 /nfs/dbraw/zinc/23/25/96/519232596.db2.gz VEEWEYFNWUYRPX-CZYKHXBRSA-N 1 3 356.510 2.908 20 0 FFADHO c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000580548420 519232602 /nfs/dbraw/zinc/23/26/02/519232602.db2.gz VEEWEYFNWUYRPX-CZYKHXBRSA-N 1 3 356.510 2.908 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000568878042 519262954 /nfs/dbraw/zinc/26/29/54/519262954.db2.gz KURNOUOEXPYNEU-FXAWDEMLSA-N 1 3 366.509 2.683 20 0 FFADHO COc1ccc(-c2ccncc2)cc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000568882729 519265883 /nfs/dbraw/zinc/26/58/83/519265883.db2.gz AUQNJZJTQLGOKU-HXUWFJFHSA-N 1 3 367.493 2.945 20 0 FFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000571770782 519267657 /nfs/dbraw/zinc/26/76/57/519267657.db2.gz HOJSUIXRSBMFJL-AEFFLSMTSA-N 1 3 358.511 2.923 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000574666430 519269958 /nfs/dbraw/zinc/26/99/58/519269958.db2.gz HFEPROJRWFGZGW-RUGGUXRKSA-N 1 3 356.514 2.509 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000566101075 519300728 /nfs/dbraw/zinc/30/07/28/519300728.db2.gz LCAQREDBHMFNHJ-QHAWAJNXSA-N 1 3 373.541 2.691 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000577950402 519337631 /nfs/dbraw/zinc/33/76/31/519337631.db2.gz GSKWMRASPKXBBL-OAQYLSRUSA-N 1 3 367.493 2.520 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000583629468 519350140 /nfs/dbraw/zinc/35/01/40/519350140.db2.gz JKUDMBMPPWAEIC-INIZCTEOSA-N 1 3 357.420 2.738 20 0 FFADHO Cn1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c(-c2ccc(F)cc2)n1 ZINC000580814318 519371518 /nfs/dbraw/zinc/37/15/18/519371518.db2.gz MTVYCACPYXYMMC-PMACEKPBSA-N 1 3 372.488 2.694 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000572069442 519427412 /nfs/dbraw/zinc/42/74/12/519427412.db2.gz KCZJRCFQMNJWAI-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000569257518 519457225 /nfs/dbraw/zinc/45/72/25/519457225.db2.gz BJTXBCHIUBLUAI-OAQYLSRUSA-N 1 3 369.509 2.832 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[C@H](c1ccccc1)N(C)C ZINC000583860181 519471606 /nfs/dbraw/zinc/47/16/06/519471606.db2.gz SQNFTASCEUXENP-JNAXZKDPSA-N 1 3 367.497 2.711 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000583872672 519477384 /nfs/dbraw/zinc/47/73/84/519477384.db2.gz XZJFMYPCJWCVTF-FCHUYYIVSA-N 1 3 369.553 2.789 20 0 FFADHO COc1cc2[nH+]ccc(N3CCC[C@H](N4CCOCC4)CC3)c2cc1OC ZINC000575072356 519484758 /nfs/dbraw/zinc/48/47/58/519484758.db2.gz YSNXFFNIZQNTFM-INIZCTEOSA-N 1 3 371.481 2.943 20 0 FFADHO [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC000569332554 519497139 /nfs/dbraw/zinc/49/71/39/519497139.db2.gz WZYPBHAFIVKPDL-AZUAARDMSA-N 1 3 350.466 2.884 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000581061461 519504254 /nfs/dbraw/zinc/50/42/54/519504254.db2.gz HCRNKVVAXAFVDI-WMLDXEAASA-N 1 3 366.456 2.508 20 0 FFADHO Cc1ccc(NC(=O)CC[NH2+]CC2CCN(c3ccncc3)CC2)nc1 ZINC000569351053 519507297 /nfs/dbraw/zinc/50/72/97/519507297.db2.gz LCTRYCIHHCSAIQ-UHFFFAOYSA-N 1 3 353.470 2.620 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2)CC1 ZINC000581073246 519509613 /nfs/dbraw/zinc/50/96/13/519509613.db2.gz CDZUBHYTBHOXPY-WSTZPKSXSA-N 1 3 372.557 2.662 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)c3conc3C(C)(C)N)c(C)c2)CC1 ZINC000566471615 519511455 /nfs/dbraw/zinc/51/14/55/519511455.db2.gz WIMLMHQRGOOXPF-UHFFFAOYSA-N 1 3 371.485 2.571 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000569456696 519560620 /nfs/dbraw/zinc/56/06/20/519560620.db2.gz UIYMAKJZHBSZAE-SJORKVTESA-N 1 3 364.559 2.820 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000569458007 519561585 /nfs/dbraw/zinc/56/15/85/519561585.db2.gz ZODXDVIAZAMDGT-WOUAJJJCSA-N 1 3 358.530 2.621 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000569458007 519561588 /nfs/dbraw/zinc/56/15/88/519561588.db2.gz ZODXDVIAZAMDGT-WOUAJJJCSA-N 1 3 358.530 2.621 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNCC3(C[NH+](C)C)CCCC3)c2cc1C ZINC000581187047 519565733 /nfs/dbraw/zinc/56/57/33/519565733.db2.gz UMDFGOSVDPJTEC-SFHVURJKSA-N 1 3 358.530 2.726 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000578425085 519585003 /nfs/dbraw/zinc/58/50/03/519585003.db2.gz GUVNEEIJKNHVCT-BRWVUGGUSA-N 1 3 364.559 2.900 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H](C[NH3+])c3ccccc3)c2)CC1 ZINC000572400930 519597282 /nfs/dbraw/zinc/59/72/82/519597282.db2.gz ITIJHWQLXBEFHB-OAQYLSRUSA-N 1 3 366.509 2.898 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000584170832 519622184 /nfs/dbraw/zinc/62/21/84/519622184.db2.gz MBDSISMAPRVMTC-SIKLNZKXSA-N 1 3 363.505 2.554 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000584170832 519622188 /nfs/dbraw/zinc/62/21/88/519622188.db2.gz MBDSISMAPRVMTC-SIKLNZKXSA-N 1 3 363.505 2.554 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000591431303 519623158 /nfs/dbraw/zinc/62/31/58/519623158.db2.gz KPIWLNQSYCYVJX-KSZLIROESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000591431303 519623162 /nfs/dbraw/zinc/62/31/62/519623162.db2.gz KPIWLNQSYCYVJX-KSZLIROESA-N 1 3 358.530 2.634 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000612573822 520028838 /nfs/dbraw/zinc/02/88/38/520028838.db2.gz UNXQEULGHBXXEQ-LJQANCHMSA-N 1 3 372.557 2.944 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000612573822 520028849 /nfs/dbraw/zinc/02/88/49/520028849.db2.gz UNXQEULGHBXXEQ-LJQANCHMSA-N 1 3 372.557 2.944 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000608638776 520059064 /nfs/dbraw/zinc/05/90/64/520059064.db2.gz ANKGDSWSKPWRLN-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000608638776 520059073 /nfs/dbraw/zinc/05/90/73/520059073.db2.gz ANKGDSWSKPWRLN-VAMGGRTRSA-N 1 3 356.514 2.529 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000608698372 520086064 /nfs/dbraw/zinc/08/60/64/520086064.db2.gz OIWQBLMTDANOOT-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000608698372 520086069 /nfs/dbraw/zinc/08/60/69/520086069.db2.gz OIWQBLMTDANOOT-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000608698840 520086561 /nfs/dbraw/zinc/08/65/61/520086561.db2.gz XERVJVGXBRBOAX-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000608698840 520086568 /nfs/dbraw/zinc/08/65/68/520086568.db2.gz XERVJVGXBRBOAX-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000612909543 520214953 /nfs/dbraw/zinc/21/49/53/520214953.db2.gz NVZPWCFADZPXTB-FUHWJXTLSA-N 1 3 352.910 2.774 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000594950016 520226471 /nfs/dbraw/zinc/22/64/71/520226471.db2.gz WFAOSNPRPAVTMZ-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000594950016 520226479 /nfs/dbraw/zinc/22/64/79/520226479.db2.gz WFAOSNPRPAVTMZ-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cccc(OCCN(C)C)c1 ZINC000595070650 520279720 /nfs/dbraw/zinc/27/97/20/520279720.db2.gz NWHNDQVCMPKHRB-YPXCTIMRSA-N 1 3 352.544 2.967 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CCCCC1 ZINC000617113502 520332728 /nfs/dbraw/zinc/33/27/28/520332728.db2.gz KGDABDFATCGHNK-FQEVSTJZSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000592492996 520416293 /nfs/dbraw/zinc/41/62/93/520416293.db2.gz LFYJAXKOWHCSMX-QZTJIDSGSA-N 1 3 372.513 2.663 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000604107133 520452086 /nfs/dbraw/zinc/45/20/86/520452086.db2.gz LRHBKFQIUQKCOJ-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604174245 520468656 /nfs/dbraw/zinc/46/86/56/520468656.db2.gz KKNYZLRLNBNNRA-WIYYLYMNSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604174245 520468662 /nfs/dbraw/zinc/46/86/62/520468662.db2.gz KKNYZLRLNBNNRA-WIYYLYMNSA-N 1 3 370.541 2.997 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000604193762 520481492 /nfs/dbraw/zinc/48/14/92/520481492.db2.gz OGUUBDYCGQVOSU-UHFFFAOYSA-N 1 3 360.546 2.943 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000604193762 520481501 /nfs/dbraw/zinc/48/15/01/520481501.db2.gz OGUUBDYCGQVOSU-UHFFFAOYSA-N 1 3 360.546 2.943 20 0 FFADHO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc2nccc(C)c12 ZINC000617504394 520536810 /nfs/dbraw/zinc/53/68/10/520536810.db2.gz UCVCOKGFUNFUEU-AWEZNQCLSA-N 1 3 362.543 2.915 20 0 FFADHO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc2nccc(C)c12 ZINC000617504394 520536818 /nfs/dbraw/zinc/53/68/18/520536818.db2.gz UCVCOKGFUNFUEU-AWEZNQCLSA-N 1 3 362.543 2.915 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000617504316 520538870 /nfs/dbraw/zinc/53/88/70/520538870.db2.gz PQUHXEQWUCWKFM-HNNXBMFYSA-N 1 3 351.922 2.760 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000617504316 520538878 /nfs/dbraw/zinc/53/88/78/520538878.db2.gz PQUHXEQWUCWKFM-HNNXBMFYSA-N 1 3 351.922 2.760 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000617502084 520539358 /nfs/dbraw/zinc/53/93/58/520539358.db2.gz BLRBKCAPUWQFOB-YTQUADARSA-N 1 3 363.571 2.521 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000617502084 520539364 /nfs/dbraw/zinc/53/93/64/520539364.db2.gz BLRBKCAPUWQFOB-YTQUADARSA-N 1 3 363.571 2.521 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000617506513 520540911 /nfs/dbraw/zinc/54/09/11/520540911.db2.gz QFUHNBZQIIXSJB-HNNXBMFYSA-N 1 3 367.484 2.775 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000617506513 520540916 /nfs/dbraw/zinc/54/09/16/520540916.db2.gz QFUHNBZQIIXSJB-HNNXBMFYSA-N 1 3 367.484 2.775 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000601207862 520686310 /nfs/dbraw/zinc/68/63/10/520686310.db2.gz LMPISXZXNCPVPU-VQTJNVASSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000601286477 520723935 /nfs/dbraw/zinc/72/39/35/520723935.db2.gz XPZCDVDMKPUIHO-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000601286477 520723941 /nfs/dbraw/zinc/72/39/41/520723941.db2.gz XPZCDVDMKPUIHO-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1C ZINC000602016751 521080918 /nfs/dbraw/zinc/08/09/18/521080918.db2.gz YVQNQRRTXGHGDN-SJLPKXTDSA-N 1 3 355.482 2.812 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000606623666 521109903 /nfs/dbraw/zinc/10/99/03/521109903.db2.gz YFCQRWSBBAEMOA-RDJZCZTQSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000606651585 521124988 /nfs/dbraw/zinc/12/49/88/521124988.db2.gz KHLANAHTYVJISF-QKLQHJQFSA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000606703607 521142450 /nfs/dbraw/zinc/14/24/50/521142450.db2.gz XYGXBWRYQXJAMZ-NRFANRHFSA-N 1 3 372.557 2.677 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000606703607 521142458 /nfs/dbraw/zinc/14/24/58/521142458.db2.gz XYGXBWRYQXJAMZ-NRFANRHFSA-N 1 3 372.557 2.677 20 0 FFADHO COC(=O)[C@](C)(O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596594434 521153076 /nfs/dbraw/zinc/15/30/76/521153076.db2.gz VAFJROHYVDERSW-DENIHFKCSA-N 1 3 374.525 2.533 20 0 FFADHO COC(=O)[C@](C)(O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596594434 521153081 /nfs/dbraw/zinc/15/30/81/521153081.db2.gz VAFJROHYVDERSW-DENIHFKCSA-N 1 3 374.525 2.533 20 0 FFADHO COC(=O)c1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)s1 ZINC000593731258 521179876 /nfs/dbraw/zinc/17/98/76/521179876.db2.gz VGVFCFLVYKHXQD-OAGGEKHMSA-N 1 3 352.500 2.704 20 0 FFADHO COC(=O)c1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)s1 ZINC000593736080 521182369 /nfs/dbraw/zinc/18/23/69/521182369.db2.gz FOUZCOCXMCPICC-BPUTZDHNSA-N 1 3 352.500 2.561 20 0 FFADHO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615274402 521347023 /nfs/dbraw/zinc/34/70/23/521347023.db2.gz IUEVWNOZWRPSST-NHCUHLMSSA-N 1 3 371.525 2.608 20 0 FFADHO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615274402 521347029 /nfs/dbraw/zinc/34/70/29/521347029.db2.gz IUEVWNOZWRPSST-NHCUHLMSSA-N 1 3 371.525 2.608 20 0 FFADHO CCOC(=O)[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCCOC1 ZINC000602743340 521510038 /nfs/dbraw/zinc/51/00/38/521510038.db2.gz FLDZVJBGISEQIJ-FQEVSTJZSA-N 1 3 352.519 2.733 20 0 FFADHO CCOC(=O)[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCOC1 ZINC000602743340 521510044 /nfs/dbraw/zinc/51/00/44/521510044.db2.gz FLDZVJBGISEQIJ-FQEVSTJZSA-N 1 3 352.519 2.733 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000615773587 521527182 /nfs/dbraw/zinc/52/71/82/521527182.db2.gz BYDGDNMRLZMDEQ-SFHVURJKSA-N 1 3 352.567 2.872 20 0 FFADHO CCOC(=O)c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)[nH]c1C ZINC000597194237 521568038 /nfs/dbraw/zinc/56/80/38/521568038.db2.gz ZWPXLPLJRIMFIY-UHFFFAOYSA-N 1 3 370.497 2.897 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCCS(=O)(=O)CC3)cc2)C1 ZINC000634953281 521831167 /nfs/dbraw/zinc/83/11/67/521831167.db2.gz WXQMPFBGRCGDJW-PXNSSMCTSA-N 1 3 364.555 2.975 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCCS(=O)(=O)CC3)cc2)C1 ZINC000634953281 521831181 /nfs/dbraw/zinc/83/11/81/521831181.db2.gz WXQMPFBGRCGDJW-PXNSSMCTSA-N 1 3 364.555 2.975 20 0 FFADHO COc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1NC(C)=O ZINC000635007002 521865082 /nfs/dbraw/zinc/86/50/82/521865082.db2.gz CXCDTYTXTOBFIZ-CQSZACIVSA-N 1 3 369.469 2.631 20 0 FFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000635011105 521865503 /nfs/dbraw/zinc/86/55/03/521865503.db2.gz XNQYMUZBVWBDHS-QGZVFWFLSA-N 1 3 362.481 2.909 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623402622 521993175 /nfs/dbraw/zinc/99/31/75/521993175.db2.gz RCHNFDGTQNAUHG-AWEZNQCLSA-N 1 3 369.351 2.516 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000623414247 522006140 /nfs/dbraw/zinc/00/61/40/522006140.db2.gz ZEPMPJFYBIZNEP-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000623414247 522006143 /nfs/dbraw/zinc/00/61/43/522006143.db2.gz ZEPMPJFYBIZNEP-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623550703 522112833 /nfs/dbraw/zinc/11/28/33/522112833.db2.gz YRZOGVJJMWWXKF-QHAWAJNXSA-N 1 3 359.558 2.986 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000629516567 522294027 /nfs/dbraw/zinc/29/40/27/522294027.db2.gz KOZKXJQXHQXDFN-PXNSSMCTSA-N 1 3 358.530 2.594 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(F)(F)C(C)(C)C)CC2)CC1 ZINC000620613149 522314055 /nfs/dbraw/zinc/31/40/55/522314055.db2.gz FMHGFIINKFMVAL-UHFFFAOYSA-N 1 3 359.505 2.980 20 0 FFADHO CC[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1C(F)(F)F ZINC000629568660 522322835 /nfs/dbraw/zinc/32/28/35/522322835.db2.gz SLMRDSGBLKJCSD-CABCVRRESA-N 1 3 360.420 2.909 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623890170 522350898 /nfs/dbraw/zinc/35/08/98/522350898.db2.gz DTDZGLIDBZMBSQ-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623890170 522350910 /nfs/dbraw/zinc/35/09/10/522350910.db2.gz DTDZGLIDBZMBSQ-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)c1C ZINC000626741253 522411437 /nfs/dbraw/zinc/41/14/37/522411437.db2.gz GPZZNWYSZOZSAL-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)c1C ZINC000626741253 522411439 /nfs/dbraw/zinc/41/14/39/522411439.db2.gz GPZZNWYSZOZSAL-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000632951287 522422137 /nfs/dbraw/zinc/42/21/37/522422137.db2.gz LORZTPHUPJAKGA-UHFFFAOYSA-N 1 3 360.477 2.954 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000635667693 522439826 /nfs/dbraw/zinc/43/98/26/522439826.db2.gz NZKXXQZTAQJQIH-HXUWFJFHSA-N 1 3 373.541 2.516 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000635667693 522439834 /nfs/dbraw/zinc/43/98/34/522439834.db2.gz NZKXXQZTAQJQIH-HXUWFJFHSA-N 1 3 373.541 2.516 20 0 FFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H](C)C1 ZINC000624118421 522487809 /nfs/dbraw/zinc/48/78/09/522487809.db2.gz HISMZNSVBZMYGI-IPELMVKDSA-N 1 3 351.922 2.865 20 0 FFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H](C)C1 ZINC000624118421 522487820 /nfs/dbraw/zinc/48/78/20/522487820.db2.gz HISMZNSVBZMYGI-IPELMVKDSA-N 1 3 351.922 2.865 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635736365 522493746 /nfs/dbraw/zinc/49/37/46/522493746.db2.gz LUZFFCGLTDEULK-RBUKOAKNSA-N 1 3 359.514 2.547 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635736365 522493747 /nfs/dbraw/zinc/49/37/47/522493747.db2.gz LUZFFCGLTDEULK-RBUKOAKNSA-N 1 3 359.514 2.547 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627014520 522592125 /nfs/dbraw/zinc/59/21/25/522592125.db2.gz CFQLDIOLTMBMPS-OALUTQOASA-N 1 3 358.530 2.727 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000627165031 522687754 /nfs/dbraw/zinc/68/77/54/522687754.db2.gz LCXHKSBVEVUYKG-OJAHFUOMSA-N 1 3 358.530 2.994 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627200711 522711942 /nfs/dbraw/zinc/71/19/42/522711942.db2.gz UALSCWXXTHUZQB-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc2ccccc2o1 ZINC000624651097 522843176 /nfs/dbraw/zinc/84/31/76/522843176.db2.gz RLUDUCDXUHICMK-SFHVURJKSA-N 1 3 357.498 2.850 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc2ccccc2o1 ZINC000624651097 522843185 /nfs/dbraw/zinc/84/31/85/522843185.db2.gz RLUDUCDXUHICMK-SFHVURJKSA-N 1 3 357.498 2.850 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627649836 522988484 /nfs/dbraw/zinc/98/84/84/522988484.db2.gz NGKGFDCFAZPFDD-XFIJJGBISA-N 1 3 371.525 2.572 20 0 FFADHO O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000621644022 522993110 /nfs/dbraw/zinc/99/31/10/522993110.db2.gz ORMVUSPIYHZTBE-GOSISDBHSA-N 1 3 361.555 2.996 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000636471293 523002083 /nfs/dbraw/zinc/00/20/83/523002083.db2.gz DHKGSTZWFXQMCL-LJQANCHMSA-N 1 3 360.546 2.675 20 0 FFADHO CCn1cc(CCN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cn1 ZINC000621776520 523068546 /nfs/dbraw/zinc/06/85/46/523068546.db2.gz NQGPZWGLXSONIC-UHFFFAOYSA-N 1 3 356.518 2.515 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000634120552 523196283 /nfs/dbraw/zinc/19/62/83/523196283.db2.gz LGFWCWGNPYLZRO-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000622151558 523290488 /nfs/dbraw/zinc/29/04/88/523290488.db2.gz PHSIKGHNUWLQAB-FQEVSTJZSA-N 1 3 358.530 2.674 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000622151558 523290496 /nfs/dbraw/zinc/29/04/96/523290496.db2.gz PHSIKGHNUWLQAB-FQEVSTJZSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000628051434 523305030 /nfs/dbraw/zinc/30/50/30/523305030.db2.gz FXJQFRBCPYVTEU-PTKHLAPESA-N 1 3 363.933 2.614 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000628051434 523305041 /nfs/dbraw/zinc/30/50/41/523305041.db2.gz FXJQFRBCPYVTEU-PTKHLAPESA-N 1 3 363.933 2.614 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000631173167 523435475 /nfs/dbraw/zinc/43/54/75/523435475.db2.gz NVTYIBVXJJHFRU-NRFANRHFSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1cccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000631173167 523435486 /nfs/dbraw/zinc/43/54/86/523435486.db2.gz NVTYIBVXJJHFRU-NRFANRHFSA-N 1 3 353.466 2.501 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000637277951 523528259 /nfs/dbraw/zinc/52/82/59/523528259.db2.gz INPAZSSUSAPABQ-RTBURBONSA-N 1 3 358.530 2.600 20 0 FFADHO CN(C)[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000634637352 523538944 /nfs/dbraw/zinc/53/89/44/523538944.db2.gz TUFBMFYLXVAYPX-ICSRJNTNSA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000634637352 523538954 /nfs/dbraw/zinc/53/89/54/523538954.db2.gz TUFBMFYLXVAYPX-ICSRJNTNSA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@@H](C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccs1 ZINC000634637352 523538963 /nfs/dbraw/zinc/53/89/63/523538963.db2.gz TUFBMFYLXVAYPX-ICSRJNTNSA-N 1 3 359.539 2.577 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000628544009 523597225 /nfs/dbraw/zinc/59/72/25/523597225.db2.gz ZTMGLIHLILYWPY-MOPGFXCFSA-N 1 3 365.587 2.727 20 0 FFADHO C[NH+](C)CCc1ccccc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634718648 523606259 /nfs/dbraw/zinc/60/62/59/523606259.db2.gz GZPKCSITNYOXCP-QFIPXVFZSA-N 1 3 353.510 2.840 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797616 523694886 /nfs/dbraw/zinc/69/48/86/523694886.db2.gz WMOVQHWBOHHNFB-ZWKOTPCHSA-N 1 3 367.331 2.743 20 0 FFADHO C[N@H+]1CCC[C@H]1CCN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797616 523694888 /nfs/dbraw/zinc/69/48/88/523694888.db2.gz WMOVQHWBOHHNFB-ZWKOTPCHSA-N 1 3 367.331 2.743 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000637601378 523729456 /nfs/dbraw/zinc/72/94/56/523729456.db2.gz AVLZQQLVOBDNKL-GIVPXCGWSA-N 1 3 372.557 2.738 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000637601378 523729465 /nfs/dbraw/zinc/72/94/65/523729465.db2.gz AVLZQQLVOBDNKL-GIVPXCGWSA-N 1 3 372.557 2.738 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000637607342 523734158 /nfs/dbraw/zinc/73/41/58/523734158.db2.gz QKJYIDWLDGVCSM-QCFAMHMHSA-N 1 3 372.557 2.736 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000637607342 523734165 /nfs/dbraw/zinc/73/41/65/523734165.db2.gz QKJYIDWLDGVCSM-QCFAMHMHSA-N 1 3 372.557 2.736 20 0 FFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N(C)C)n3)CC[C@@H]21 ZINC001164835716 720514027 /nfs/dbraw/zinc/51/40/27/720514027.db2.gz KIJRZFLRBLAKDO-FHWLQOOXSA-N 1 3 368.529 2.722 20 0 FFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N(C)C)n3)CC[C@@H]21 ZINC001164835716 720514028 /nfs/dbraw/zinc/51/40/28/720514028.db2.gz KIJRZFLRBLAKDO-FHWLQOOXSA-N 1 3 368.529 2.722 20 0 FFADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000063148262 728134426 /nfs/dbraw/zinc/13/44/26/728134426.db2.gz ZQNUTUGVMZKMHY-KRWDZBQOSA-N 1 3 360.571 2.599 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000125846298 728688568 /nfs/dbraw/zinc/68/85/68/728688568.db2.gz LTAXFCPKOGAHAI-JKSUJKDBSA-N 1 3 353.532 2.829 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000125932718 728689807 /nfs/dbraw/zinc/68/98/07/728689807.db2.gz DADSUAQDOBUKKP-YOEHRIQHSA-N 1 3 355.548 2.612 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CC1(F)F ZINC000638871021 730049630 /nfs/dbraw/zinc/04/96/30/730049630.db2.gz IXWCOARPCDDDNP-PBHICJAKSA-N 1 3 351.441 2.646 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000924954973 738465251 /nfs/dbraw/zinc/46/52/51/738465251.db2.gz YQYIFNAUMXSYNV-LSDHHAIUSA-N 1 3 369.351 2.768 20 0 FFADHO Cn1cc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)n1 ZINC000856765472 730355971 /nfs/dbraw/zinc/35/59/71/730355971.db2.gz DQBGHTLPSINHMT-UHFFFAOYSA-N 1 3 361.921 2.766 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C[C@@H]1N(C)C ZINC000857163892 730382269 /nfs/dbraw/zinc/38/22/69/730382269.db2.gz HBFTYVPOERTWIY-CEXWTWQISA-N 1 3 361.555 2.613 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C[C@@H]1N(C)C ZINC000857163892 730382272 /nfs/dbraw/zinc/38/22/72/730382272.db2.gz HBFTYVPOERTWIY-CEXWTWQISA-N 1 3 361.555 2.613 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000644514802 730477681 /nfs/dbraw/zinc/47/76/81/730477681.db2.gz COKVBCRAKCMHQI-AWEZNQCLSA-N 1 3 359.297 2.950 20 0 FFADHO O=C(CC[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)Nc1ccc(Cl)cc1 ZINC000644570941 730483549 /nfs/dbraw/zinc/48/35/49/730483549.db2.gz XTYBWIUZJUGEIJ-HNNXBMFYSA-N 1 3 365.905 2.759 20 0 FFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)n1 ZINC000925043362 738473414 /nfs/dbraw/zinc/47/34/14/738473414.db2.gz XFIADXRTXHHYJC-KGLIPLIRSA-N 1 3 367.335 2.663 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862366942 730692523 /nfs/dbraw/zinc/69/25/23/730692523.db2.gz PEBYVAGVNNIVPT-GJZGRUSLSA-N 1 3 361.477 2.951 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862366942 730692525 /nfs/dbraw/zinc/69/25/25/730692525.db2.gz PEBYVAGVNNIVPT-GJZGRUSLSA-N 1 3 361.477 2.951 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](N[C@@H]3CCc4cc(F)c(F)c(F)c43)C2)CC1 ZINC000648450492 730809794 /nfs/dbraw/zinc/80/97/94/730809794.db2.gz OUYJNFZOGNJCBO-CZUORRHYSA-N 1 3 353.432 2.849 20 0 FFADHO COc1ncc(Br)cc1CNCC1(SC)CC[NH+](C)CC1 ZINC000865574391 730972167 /nfs/dbraw/zinc/97/21/67/730972167.db2.gz VQAQFBXOKQSIAD-UHFFFAOYSA-N 1 3 374.348 2.770 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000650705357 731021862 /nfs/dbraw/zinc/02/18/62/731021862.db2.gz FDTOETMUFJUFHX-UXLLHSPISA-N 1 3 366.889 2.830 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@H+](CC)C2CCCCC2)C1(C)C ZINC000653200953 731248097 /nfs/dbraw/zinc/24/80/97/731248097.db2.gz VHSZOYCYFNSSRS-YLJYHZDGSA-N 1 3 353.551 2.680 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@@H+](CC)C2CCCCC2)C1(C)C ZINC000653200953 731248098 /nfs/dbraw/zinc/24/80/98/731248098.db2.gz VHSZOYCYFNSSRS-YLJYHZDGSA-N 1 3 353.551 2.680 20 0 FFADHO CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000653600917 731277560 /nfs/dbraw/zinc/27/75/60/731277560.db2.gz YLSGLYQBSDYCJD-WBVHZDCISA-N 1 3 350.503 2.980 20 0 FFADHO FC(F)(F)COc1cccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655691894 731499278 /nfs/dbraw/zinc/49/92/78/731499278.db2.gz ZVBXVCSDKPJFQK-MRXNPFEDSA-N 1 3 358.404 2.971 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657346713 731772220 /nfs/dbraw/zinc/77/22/20/731772220.db2.gz HNIZFMTZHKXOEP-AWEZNQCLSA-N 1 3 359.436 2.790 20 0 FFADHO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCC2 ZINC000873246914 731895131 /nfs/dbraw/zinc/89/51/31/731895131.db2.gz DGDNGYDBHVCLMZ-INIZCTEOSA-N 1 3 354.483 2.658 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000659492663 731981843 /nfs/dbraw/zinc/98/18/43/731981843.db2.gz OUJPFBMEAPIBIY-KGYZHSKHSA-N 1 3 364.921 2.774 20 0 FFADHO CC[C@H](CN1CCCC1)NC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876766902 732278719 /nfs/dbraw/zinc/27/87/19/732278719.db2.gz VSVBUBXNBBJKNT-OAHLLOKOSA-N 1 3 350.532 2.523 20 0 FFADHO COc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)ccc1OC(C)C ZINC000876926124 732297781 /nfs/dbraw/zinc/29/77/81/732297781.db2.gz LSDPNFOARYRHMI-UHFFFAOYSA-N 1 3 350.503 2.807 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C(C)(C)N)no2)[C@H]1c1cccs1 ZINC000662746772 732351535 /nfs/dbraw/zinc/35/15/35/732351535.db2.gz WYRKYJCZINYQRD-LRDDRELGSA-N 1 3 362.499 2.743 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C(C)(C)N)no2)[C@H]1c1cccs1 ZINC000662746772 732351539 /nfs/dbraw/zinc/35/15/39/732351539.db2.gz WYRKYJCZINYQRD-LRDDRELGSA-N 1 3 362.499 2.743 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C(C)(C)N)no2)[C@@H]1c1cccs1 ZINC000662746771 732351806 /nfs/dbraw/zinc/35/18/06/732351806.db2.gz WYRKYJCZINYQRD-BLLLJJGKSA-N 1 3 362.499 2.743 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C(C)(C)N)no2)[C@@H]1c1cccs1 ZINC000662746771 732351813 /nfs/dbraw/zinc/35/18/13/732351813.db2.gz WYRKYJCZINYQRD-BLLLJJGKSA-N 1 3 362.499 2.743 20 0 FFADHO CCN(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCN(C)C1 ZINC000663875082 732507742 /nfs/dbraw/zinc/50/77/42/732507742.db2.gz QTEKQWZQEHHYJC-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCN(C)C1 ZINC000663875082 732507745 /nfs/dbraw/zinc/50/77/45/732507745.db2.gz QTEKQWZQEHHYJC-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1cccs1 ZINC000664123583 732539726 /nfs/dbraw/zinc/53/97/26/732539726.db2.gz FWIZAKUHFWIFPB-HNNXBMFYSA-N 1 3 354.564 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1cccs1 ZINC000664123583 732539729 /nfs/dbraw/zinc/53/97/29/732539729.db2.gz FWIZAKUHFWIFPB-HNNXBMFYSA-N 1 3 354.564 2.597 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccco1 ZINC000664874402 732642680 /nfs/dbraw/zinc/64/26/80/732642680.db2.gz JQCAZRGDJMKZFP-HRCADAONSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccco1 ZINC000664874402 732642684 /nfs/dbraw/zinc/64/26/84/732642684.db2.gz JQCAZRGDJMKZFP-HRCADAONSA-N 1 3 350.507 2.881 20 0 FFADHO C[NH+](C)Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000665935376 732776068 /nfs/dbraw/zinc/77/60/68/732776068.db2.gz FFRQRWOAPQSGBB-HUUCEWRRSA-N 1 3 360.376 2.671 20 0 FFADHO C[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000880385343 732900024 /nfs/dbraw/zinc/90/00/24/732900024.db2.gz KTJWJOOBPHZDQX-UHFFFAOYSA-N 1 3 357.420 2.741 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)c2cccs2)CC1 ZINC000668644755 733149144 /nfs/dbraw/zinc/14/91/44/733149144.db2.gz UYNFXEGWKPSJAW-QFBILLFUSA-N 1 3 364.559 2.901 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC(C)([NH3+])CC2)N(C)C)cc1 ZINC000669592697 733251305 /nfs/dbraw/zinc/25/13/05/733251305.db2.gz JRYCLNMXIBSORJ-MRXNPFEDSA-N 1 3 350.532 2.534 20 0 FFADHO CCc1ccc([C@@H](CNC(=S)NC[C@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000884342788 733514327 /nfs/dbraw/zinc/51/43/27/733514327.db2.gz KMFJBUZAXXKUMZ-RTBURBONSA-N 1 3 362.587 2.800 20 0 FFADHO CCc1ccc([C@@H](CNC(=S)NC[C@H]2CCC[N@@H+]2CC)N(C)C)cc1 ZINC000884342788 733514330 /nfs/dbraw/zinc/51/43/30/733514330.db2.gz KMFJBUZAXXKUMZ-RTBURBONSA-N 1 3 362.587 2.800 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884347711 733514750 /nfs/dbraw/zinc/51/47/50/733514750.db2.gz CCGFUMJOCGXHHT-CVEARBPZSA-N 1 3 366.600 2.833 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1cccs1)N1CCCC1 ZINC000884347711 733514755 /nfs/dbraw/zinc/51/47/55/733514755.db2.gz CCGFUMJOCGXHHT-CVEARBPZSA-N 1 3 366.600 2.833 20 0 FFADHO Cc1nc(C2CC[NH+](CC(=O)N3CCc4sccc4C3)CC2)[nH]c1C ZINC000886673082 733815473 /nfs/dbraw/zinc/81/54/73/733815473.db2.gz ZTBNQLCHFPEMRV-UHFFFAOYSA-N 1 3 358.511 2.852 20 0 FFADHO CC(C)(C)[C@@H](O)CN1CCCC2(CCC[N@H+](C[C@H](O)C(C)(C)C)C2)C1 ZINC000685593231 734324960 /nfs/dbraw/zinc/32/49/60/734324960.db2.gz VTONBYQFEXIGHE-GAOSQQNJSA-N 1 3 354.579 2.978 20 0 FFADHO CC(C)(C)[C@@H](O)CN1CCCC2(CCC[N@@H+](C[C@H](O)C(C)(C)C)C2)C1 ZINC000685593231 734324962 /nfs/dbraw/zinc/32/49/62/734324962.db2.gz VTONBYQFEXIGHE-GAOSQQNJSA-N 1 3 354.579 2.978 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H](N)CC(F)F)CCCCC1 ZINC000714232879 734368679 /nfs/dbraw/zinc/36/86/79/734368679.db2.gz JWDBOEXBGUATLT-MRXNPFEDSA-N 1 3 353.457 2.920 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H](N)CC(F)F)CCCCC1 ZINC000714232879 734368682 /nfs/dbraw/zinc/36/86/82/734368682.db2.gz JWDBOEXBGUATLT-MRXNPFEDSA-N 1 3 353.457 2.920 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccsc1 ZINC000891348492 734417336 /nfs/dbraw/zinc/41/73/36/734417336.db2.gz OYJYNCYDXQYWPI-XIRDDKMYSA-N 1 3 352.548 2.948 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892927455 734624584 /nfs/dbraw/zinc/62/45/84/734624584.db2.gz DXYGTNQCXWGQBO-CYBMUJFWSA-N 1 3 364.481 2.611 20 0 FFADHO C[C@@H]1CCN(C(=S)NC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000743036708 735273215 /nfs/dbraw/zinc/27/32/15/735273215.db2.gz OUUGILBLJNYDNP-QGZVFWFLSA-N 1 3 360.571 2.552 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2Cl)[C@H](C)C1 ZINC000749345449 735716064 /nfs/dbraw/zinc/71/60/64/735716064.db2.gz BXRCCZVYISYWTO-AYBZRNKSSA-N 1 3 354.922 2.880 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2Cl)[C@H](C)C1 ZINC000749345449 735716069 /nfs/dbraw/zinc/71/60/69/735716069.db2.gz BXRCCZVYISYWTO-AYBZRNKSSA-N 1 3 354.922 2.880 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H](O)COc2ccccc2Br)C1 ZINC000902353189 735936064 /nfs/dbraw/zinc/93/60/64/735936064.db2.gz WVILNCLUYBGKGE-ZIAGYGMSSA-N 1 3 371.319 2.557 20 0 FFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccc(F)c(F)c1 ZINC000903161384 736044830 /nfs/dbraw/zinc/04/48/30/736044830.db2.gz SSJNXWQBSWKTHE-DUZACMNTSA-N 1 3 350.453 2.863 20 0 FFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(F)c(F)c1 ZINC000903161384 736044834 /nfs/dbraw/zinc/04/48/34/736044834.db2.gz SSJNXWQBSWKTHE-DUZACMNTSA-N 1 3 350.453 2.863 20 0 FFADHO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496587 736102190 /nfs/dbraw/zinc/10/21/90/736102190.db2.gz USIFZDLCXWQDEX-CHWSQXEVSA-N 1 3 354.292 2.613 20 0 FFADHO Brc1ccc2c(c1)[C@H](NC[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CCO2 ZINC000903786991 736166937 /nfs/dbraw/zinc/16/69/37/736166937.db2.gz SNMMTZKTAKQWMW-YSVLISHTSA-N 1 3 367.287 2.631 20 0 FFADHO FC(F)(F)COc1ccc(CNCc2cccc3c2CC[NH2+]C3)cn1 ZINC000903921312 736189201 /nfs/dbraw/zinc/18/92/01/736189201.db2.gz OHSIYANFXJYBJM-UHFFFAOYSA-N 1 3 351.372 2.958 20 0 FFADHO OCC[NH+]1CCC(NCc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000921700982 738025939 /nfs/dbraw/zinc/02/59/39/738025939.db2.gz YQCSPIUAWBMORR-UHFFFAOYSA-N 1 3 370.266 2.616 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccco3)s1)C2 ZINC000922389169 738135250 /nfs/dbraw/zinc/13/52/50/738135250.db2.gz HRNOYKUJTPCUPE-FXRXJOCMSA-N 1 3 361.511 2.972 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccco3)s1)C2 ZINC000922389169 738135255 /nfs/dbraw/zinc/13/52/55/738135255.db2.gz HRNOYKUJTPCUPE-FXRXJOCMSA-N 1 3 361.511 2.972 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(C(F)F)nc3)C2)[C@H]1C(C)C ZINC000922391854 738136548 /nfs/dbraw/zinc/13/65/48/738136548.db2.gz BDDIOWILLIODJG-YWTNHNAXSA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(C(F)F)nc3)C2)[C@H]1C(C)C ZINC000922391854 738136550 /nfs/dbraw/zinc/13/65/50/738136550.db2.gz BDDIOWILLIODJG-YWTNHNAXSA-N 1 3 353.457 2.979 20 0 FFADHO C[C@](O)(C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930060155 739053927 /nfs/dbraw/zinc/05/39/27/739053927.db2.gz GCXXUCPIRWVRCX-BNOWGMLFSA-N 1 3 356.379 2.884 20 0 FFADHO C[C@](O)(C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)C(F)(F)C(F)(F)F ZINC000930060155 739053932 /nfs/dbraw/zinc/05/39/32/739053932.db2.gz GCXXUCPIRWVRCX-BNOWGMLFSA-N 1 3 356.379 2.884 20 0 FFADHO C[NH+](C)CCCOC(=O)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000791780688 739601994 /nfs/dbraw/zinc/60/19/94/739601994.db2.gz YAUPNVWUKGXYBP-GFCCVEGCSA-N 1 3 359.253 2.841 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000796988719 740202571 /nfs/dbraw/zinc/20/25/71/740202571.db2.gz GTPOWMKMMFJUJF-YYIAUSFCSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@@H](O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000796988719 740202572 /nfs/dbraw/zinc/20/25/72/740202572.db2.gz GTPOWMKMMFJUJF-YYIAUSFCSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@@H](O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000796988719 740202573 /nfs/dbraw/zinc/20/25/73/740202573.db2.gz GTPOWMKMMFJUJF-YYIAUSFCSA-N 1 3 353.304 2.945 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802720264 740720481 /nfs/dbraw/zinc/72/04/81/740720481.db2.gz FIKKPPLQRNTTHN-IAGOWNOFSA-N 1 3 368.978 2.891 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802720264 740720485 /nfs/dbraw/zinc/72/04/85/740720485.db2.gz FIKKPPLQRNTTHN-IAGOWNOFSA-N 1 3 368.978 2.891 20 0 FFADHO CSC1(CNCc2cc3c(C)nn(C)c3nc2Cl)CC[NH+](C)CC1 ZINC000810170926 741394835 /nfs/dbraw/zinc/39/48/35/741394835.db2.gz UMAAUMPSTBNBKY-UHFFFAOYSA-N 1 3 367.950 2.847 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000817570013 742170759 /nfs/dbraw/zinc/17/07/59/742170759.db2.gz WOCNNXCVCBONAT-IBGZPJMESA-N 1 3 360.571 2.552 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000817570013 742170762 /nfs/dbraw/zinc/17/07/62/742170762.db2.gz WOCNNXCVCBONAT-IBGZPJMESA-N 1 3 360.571 2.552 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000817928884 742222909 /nfs/dbraw/zinc/22/29/09/742222909.db2.gz HFICEVHRTZKRIC-YLFCFFPRSA-N 1 3 353.304 2.993 20 0 FFADHO C[C@@](O)(C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1F ZINC000818972919 742318290 /nfs/dbraw/zinc/31/82/90/742318290.db2.gz OYCOTECMDOWJHC-YVEFUNNKSA-N 1 3 371.294 2.870 20 0 FFADHO CC(C)OCC[NH+]1CCC(NC[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819128274 742340972 /nfs/dbraw/zinc/34/09/72/742340972.db2.gz HWUBZGBLXRJMLI-SFHVURJKSA-N 1 3 358.885 2.992 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3csc(C)n3)C2)CC[N@@H+]1C ZINC001023996395 742718026 /nfs/dbraw/zinc/71/80/26/742718026.db2.gz XJFIECONOYCBJM-RYQLBKOJSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3csc(C)n3)C2)CC[N@H+]1C ZINC001023996395 742718029 /nfs/dbraw/zinc/71/80/29/742718029.db2.gz XJFIECONOYCBJM-RYQLBKOJSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3c(F)cccc3Cl)C2)CC[N@@H+]1C ZINC001026852679 742761278 /nfs/dbraw/zinc/76/12/78/742761278.db2.gz OPGKLMFSEZGNOY-RBSFLKMASA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3c(F)cccc3Cl)C2)CC[N@H+]1C ZINC001026852679 742761279 /nfs/dbraw/zinc/76/12/79/742761279.db2.gz OPGKLMFSEZGNOY-RBSFLKMASA-N 1 3 367.896 2.757 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000825965643 743349713 /nfs/dbraw/zinc/34/97/13/743349713.db2.gz ZTKIPJILBKIUEM-ZBFHGGJFSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000825965643 743349719 /nfs/dbraw/zinc/34/97/19/743349719.db2.gz ZTKIPJILBKIUEM-ZBFHGGJFSA-N 1 3 352.910 2.814 20 0 FFADHO COC(=O)c1nc(CNC2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000826977902 743482075 /nfs/dbraw/zinc/48/20/75/743482075.db2.gz PQRBRFANYSLHFE-UHFFFAOYSA-N 1 3 360.845 2.675 20 0 FFADHO Cc1nsc(C)c1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052393004 743585941 /nfs/dbraw/zinc/58/59/41/743585941.db2.gz CPKYIHSFRBYDIJ-DJIMGWMZSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nsc(C)c1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052393004 743585946 /nfs/dbraw/zinc/58/59/46/743585946.db2.gz CPKYIHSFRBYDIJ-DJIMGWMZSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc(Cl)n1 ZINC000828501931 745076004 /nfs/dbraw/zinc/07/60/04/745076004.db2.gz HYMAHAJKSMUHHU-IRXDYDNUSA-N 1 3 364.921 2.910 20 0 FFADHO Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc(Cl)n1 ZINC000831769819 745581924 /nfs/dbraw/zinc/58/19/24/745581924.db2.gz YFTSZYMZEOGOTL-SJORKVTESA-N 1 3 360.889 2.852 20 0 FFADHO CSc1ccc([C@@H](CNC(=S)NC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000840768103 747177870 /nfs/dbraw/zinc/17/78/70/747177870.db2.gz SJMHARGRJQBNDJ-QGZVFWFLSA-N 1 3 366.600 2.570 20 0 FFADHO CCN1C[C@@H](C[N@H+](C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)OC1=O ZINC000846895525 748569104 /nfs/dbraw/zinc/56/91/04/748569104.db2.gz OUNAVYOIZPRMJJ-JKSUJKDBSA-N 1 3 351.516 2.651 20 0 FFADHO CCN1C[C@@H](C[N@@H+](C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)OC1=O ZINC000846895525 748569107 /nfs/dbraw/zinc/56/91/07/748569107.db2.gz OUNAVYOIZPRMJJ-JKSUJKDBSA-N 1 3 351.516 2.651 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000853241915 750036617 /nfs/dbraw/zinc/03/66/17/750036617.db2.gz YSQDZHUNGUAFDE-DOTOQJQBSA-N 1 3 351.535 2.953 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000384978539 845826469 /nfs/dbraw/zinc/82/64/69/845826469.db2.gz PGOXYVWMXYHNEQ-DLBZAZTESA-N 1 3 357.539 2.721 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](OC)C2CCCC2)C1 ZINC001104812619 970889880 /nfs/dbraw/zinc/88/98/80/970889880.db2.gz SFNNQYDMVBVOAJ-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000660321715 971601807 /nfs/dbraw/zinc/60/18/07/971601807.db2.gz IKVGAXBABAFILB-IBGZPJMESA-N 1 3 358.530 2.954 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccccc1 ZINC000669545932 971666713 /nfs/dbraw/zinc/66/67/13/971666713.db2.gz ZNGOHMIXOCFZKG-UXHICEINSA-N 1 3 350.466 2.534 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087992688 971735550 /nfs/dbraw/zinc/73/55/50/971735550.db2.gz HBTZEJBZICNXRP-VLWYIUAGSA-N 1 3 367.537 2.820 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)C1CC1 ZINC001087992688 971735554 /nfs/dbraw/zinc/73/55/54/971735554.db2.gz HBTZEJBZICNXRP-VLWYIUAGSA-N 1 3 367.537 2.820 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1)N(C)C ZINC001088011052 971845702 /nfs/dbraw/zinc/84/57/02/971845702.db2.gz WQPAQTYKEYKLKU-HSALFYBXSA-N 1 3 361.505 2.777 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(CF)cc3)CC[C@@H]2C1)N(C)C ZINC001088011052 971845705 /nfs/dbraw/zinc/84/57/05/971845705.db2.gz WQPAQTYKEYKLKU-HSALFYBXSA-N 1 3 361.505 2.777 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)c1 ZINC001088064102 972064185 /nfs/dbraw/zinc/06/41/85/972064185.db2.gz MHHVSLJQQOCHAZ-UXHICEINSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000654869699 959040778 /nfs/dbraw/zinc/04/07/78/959040778.db2.gz OBLMUDIFOLRGQS-SVFBPWRDSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000654869699 959040795 /nfs/dbraw/zinc/04/07/95/959040795.db2.gz OBLMUDIFOLRGQS-SVFBPWRDSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000654996893 959256376 /nfs/dbraw/zinc/25/63/76/959256376.db2.gz JKUMMCZZQMYFML-AYWYSENESA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000654996893 959256390 /nfs/dbraw/zinc/25/63/90/959256390.db2.gz JKUMMCZZQMYFML-AYWYSENESA-N 1 3 355.526 2.745 20 0 FFADHO Fc1ccc2c(c1)c1c(n2-c2nc(Cl)nc3c2CNCC3)CC[NH2+]C1 ZINC001167083902 959802263 /nfs/dbraw/zinc/80/22/63/959802263.db2.gz DAEPPDRAIWHMAH-UHFFFAOYSA-N 1 3 357.820 2.504 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)C1(N)Cc2ccccc2C1)c1ccccc1 ZINC000649268544 1013311106 /nfs/dbraw/zinc/31/11/06/1013311106.db2.gz QBRYZQGDZAFXKW-HXUWFJFHSA-N 1 3 351.494 2.682 20 0 FFADHO COc1ccc(OC)c(CN2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649411084 1013408083 /nfs/dbraw/zinc/40/80/83/1013408083.db2.gz NFVHMZLINSEOJR-UHFFFAOYSA-N 1 3 361.530 2.601 20 0 FFADHO c1cc2n(n1)C[C@H](C[NH2+][C@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CN2 ZINC000684202607 963666584 /nfs/dbraw/zinc/66/65/84/963666584.db2.gz WAKJYRMFKUPTIX-MHTWAQMVSA-N 1 3 365.525 2.815 20 0 FFADHO Cc1ccc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC000960641901 1013437163 /nfs/dbraw/zinc/43/71/63/1013437163.db2.gz NXFXUOITWGASAU-NZSAHSFTSA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC000960641901 1013437169 /nfs/dbraw/zinc/43/71/69/1013437169.db2.gz NXFXUOITWGASAU-NZSAHSFTSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001104348869 963741367 /nfs/dbraw/zinc/74/13/67/963741367.db2.gz YSIMSZDSRUULSE-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(F)cc1N(C)C ZINC000873247349 1013447252 /nfs/dbraw/zinc/44/72/52/1013447252.db2.gz LIUZEXLJVRSOIF-AWEZNQCLSA-N 1 3 368.460 2.782 20 0 FFADHO CCN(C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664407352 964280933 /nfs/dbraw/zinc/28/09/33/964280933.db2.gz WRKKNDSCQVCPRW-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664407352 964280942 /nfs/dbraw/zinc/28/09/42/964280942.db2.gz WRKKNDSCQVCPRW-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO CC[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001022104103 964296009 /nfs/dbraw/zinc/29/60/09/964296009.db2.gz VNKGSDPUSWKBBR-YLUTUWDDSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001022104103 964296017 /nfs/dbraw/zinc/29/60/17/964296017.db2.gz VNKGSDPUSWKBBR-YLUTUWDDSA-N 1 3 365.468 2.993 20 0 FFADHO CCN(C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCN(C)C1 ZINC000664437296 964348313 /nfs/dbraw/zinc/34/83/13/964348313.db2.gz SYVHNFYVXVAWCT-QWFCFKBJSA-N 1 3 372.557 2.879 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544636 964458387 /nfs/dbraw/zinc/45/83/87/964458387.db2.gz ZFSLOVNOVUTTGF-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H](F)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506915 964695042 /nfs/dbraw/zinc/69/50/42/964695042.db2.gz LPGDPCUROBMIDM-ZWOKBUDYSA-N 1 3 353.526 2.827 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000891722879 964961528 /nfs/dbraw/zinc/96/15/28/964961528.db2.gz KRQRPCJYXIANDF-NHCUHLMSSA-N 1 3 364.493 2.577 20 0 FFADHO CN1CCN(c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167963732 965111619 /nfs/dbraw/zinc/11/16/19/965111619.db2.gz BWQQTKSNKKIXBB-FRIKZZABSA-N 1 3 368.569 2.933 20 0 FFADHO CN1CCN(c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167963732 965111626 /nfs/dbraw/zinc/11/16/26/965111626.db2.gz BWQQTKSNKKIXBB-FRIKZZABSA-N 1 3 368.569 2.933 20 0 FFADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001087468018 965183199 /nfs/dbraw/zinc/18/31/99/965183199.db2.gz BCUVVCBXLRHKCK-WOJBJXKFSA-N 1 3 361.505 2.852 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000891892519 965345217 /nfs/dbraw/zinc/34/52/17/965345217.db2.gz KEGUOOWVUIYOJG-UHFFFAOYSA-N 1 3 370.541 2.751 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892153173 966086482 /nfs/dbraw/zinc/08/64/82/966086482.db2.gz MROGHTPMZJCWRS-VGSWGCGISA-N 1 3 356.558 2.727 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892153173 966086494 /nfs/dbraw/zinc/08/64/94/966086494.db2.gz MROGHTPMZJCWRS-VGSWGCGISA-N 1 3 356.558 2.727 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001267103910 966369617 /nfs/dbraw/zinc/36/96/17/966369617.db2.gz IMDWALPMXGYYBH-KUYOEMAJSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C/C=C/c3ccccc3)C2)CC[N@H+]1C ZINC001267103910 966369626 /nfs/dbraw/zinc/36/96/26/966369626.db2.gz IMDWALPMXGYYBH-KUYOEMAJSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001267103911 966369717 /nfs/dbraw/zinc/36/97/17/966369717.db2.gz IMDWALPMXGYYBH-SBEHYETDSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C/C=C\c3ccccc3)C2)CC[N@H+]1C ZINC001267103911 966369725 /nfs/dbraw/zinc/36/97/25/966369725.db2.gz IMDWALPMXGYYBH-SBEHYETDSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC001087212438 966573449 /nfs/dbraw/zinc/57/34/49/966573449.db2.gz BUNMDQHYNAIBIX-UWVAXJGDSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccccc2F)C1 ZINC001087212775 966579366 /nfs/dbraw/zinc/57/93/66/966579366.db2.gz PNFQRDGEVZMBSM-AOIWGVFYSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccccc2F)C1 ZINC001087212775 966579377 /nfs/dbraw/zinc/57/93/77/966579377.db2.gz PNFQRDGEVZMBSM-AOIWGVFYSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001087219877 966756917 /nfs/dbraw/zinc/75/69/17/966756917.db2.gz SSVGPIVHAPDVFR-VYDXJSESSA-N 1 3 368.472 2.994 20 0 FFADHO Cc1ccccc1-n1nccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707249 967557716 /nfs/dbraw/zinc/55/77/16/967557716.db2.gz BUTGTTVKJKCDPV-BBTUJRGHSA-N 1 3 354.498 2.899 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@H](CN1CCOCC1)c1ccccc1C ZINC000650757995 967724760 /nfs/dbraw/zinc/72/47/60/967724760.db2.gz GLOHCLNQQKDMOC-JOCHJYFZSA-N 1 3 353.510 2.878 20 0 FFADHO CC(=O)NCc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000665235133 967789976 /nfs/dbraw/zinc/78/99/76/967789976.db2.gz QDULMVXUUKCXLO-IRLDBZIGSA-N 1 3 365.477 2.668 20 0 FFADHO CC(=O)NCc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000665235135 967790334 /nfs/dbraw/zinc/79/03/34/967790334.db2.gz QDULMVXUUKCXLO-UNMCSNQZSA-N 1 3 365.477 2.668 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1cccc(OC)c1 ZINC001087573929 968202323 /nfs/dbraw/zinc/20/23/23/968202323.db2.gz KTGFSJUNLHEQGI-QHAWAJNXSA-N 1 3 371.525 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1cccc(OC)c1 ZINC001087573928 968203080 /nfs/dbraw/zinc/20/30/80/968203080.db2.gz KTGFSJUNLHEQGI-PCCBWWKXSA-N 1 3 371.525 2.506 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2ccncc2s1 ZINC000658035155 968518384 /nfs/dbraw/zinc/51/83/84/968518384.db2.gz QNVBPRFAURNWDG-INIZCTEOSA-N 1 3 374.554 2.744 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CCOC1 ZINC000658077890 968527130 /nfs/dbraw/zinc/52/71/30/968527130.db2.gz RTDAKHUDTVIKRD-ZGJYDULXSA-N 1 3 358.526 2.928 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CO2 ZINC000658165579 968565347 /nfs/dbraw/zinc/56/53/47/968565347.db2.gz RWWICBZVAWVJOK-HXUWFJFHSA-N 1 3 367.493 2.896 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000658297211 968638233 /nfs/dbraw/zinc/63/82/33/968638233.db2.gz YZPOTCRDUUYRCY-CVDCTZTESA-N 1 3 371.569 2.925 20 0 FFADHO Cc1cc(NC(=O)C[C@H]2NCc3ccccc32)n(C2CC[NH+](C)CC2)n1 ZINC000659286074 969798262 /nfs/dbraw/zinc/79/82/62/969798262.db2.gz XXJIYUWMGPMBDJ-GOSISDBHSA-N 1 3 353.470 2.631 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659324870 969832562 /nfs/dbraw/zinc/83/25/62/969832562.db2.gz LTVNJUAIBXRPAH-KSEOMHKRSA-N 1 3 361.489 2.954 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659324870 969832568 /nfs/dbraw/zinc/83/25/68/969832568.db2.gz LTVNJUAIBXRPAH-KSEOMHKRSA-N 1 3 361.489 2.954 20 0 FFADHO CN(CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000659441158 969931370 /nfs/dbraw/zinc/93/13/70/969931370.db2.gz CDAVAANCHHSIQT-NHCUHLMSSA-N 1 3 366.509 2.563 20 0 FFADHO CCC(CC)(CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH2+][C@H](C)c1ccccc1 ZINC000659453956 969944310 /nfs/dbraw/zinc/94/43/10/969944310.db2.gz BCZHFGYHPGDLKO-KBAYOESNSA-N 1 3 364.509 2.977 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)N(C)C)cc1 ZINC000659493903 969983580 /nfs/dbraw/zinc/98/35/80/969983580.db2.gz YAROGRICANQGHY-MOMVYJMYSA-N 1 3 358.530 2.621 20 0 FFADHO [NH3+]C1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCCCC1 ZINC000659506218 969997643 /nfs/dbraw/zinc/99/76/43/969997643.db2.gz ZGHPOSOFKGPCDK-UHFFFAOYSA-N 1 3 373.545 2.645 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)sn1 ZINC001104676500 970084382 /nfs/dbraw/zinc/08/43/82/970084382.db2.gz NBZKYGQVFCTBMO-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC/C(Cl)=C\Cl)C2)C1 ZINC001104678769 970087362 /nfs/dbraw/zinc/08/73/62/970087362.db2.gz BHYLIQCBUYTWIW-FFMDOGTRSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CCNC/C(Cl)=C\Cl)C2)C1 ZINC001104678769 970087376 /nfs/dbraw/zinc/08/73/76/970087376.db2.gz BHYLIQCBUYTWIW-FFMDOGTRSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]Cc1cccnc1 ZINC001104682081 970094407 /nfs/dbraw/zinc/09/44/07/970094407.db2.gz AEKHZWWNNHBGFS-IEBWSBKVSA-N 1 3 360.546 2.634 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]Cc1ccccn1 ZINC001104682648 970100392 /nfs/dbraw/zinc/10/03/92/970100392.db2.gz YUNLOEUARLAWOT-QZTJIDSGSA-N 1 3 360.546 2.634 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2)CC1 ZINC000655471988 970260151 /nfs/dbraw/zinc/26/01/51/970260151.db2.gz SLWGDJXEVLCCDG-CTNGQTDRSA-N 1 3 356.514 2.545 20 0 FFADHO CCOC(=O)c1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000895346109 970434043 /nfs/dbraw/zinc/43/40/43/970434043.db2.gz CYVOTFMXCBNEAG-UHFFFAOYSA-N 1 3 374.510 2.717 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875407722 1014024093 /nfs/dbraw/zinc/02/40/93/1014024093.db2.gz KQFLWYQLRXOWHN-KRWDZBQOSA-N 1 3 373.545 2.733 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875407722 1014024096 /nfs/dbraw/zinc/02/40/96/1014024096.db2.gz KQFLWYQLRXOWHN-KRWDZBQOSA-N 1 3 373.545 2.733 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cc1C ZINC001088106623 972826860 /nfs/dbraw/zinc/82/68/60/972826860.db2.gz JZFKHFOCWSBCNY-WTOYTKOKSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cc1C ZINC001088106623 972826877 /nfs/dbraw/zinc/82/68/77/972826877.db2.gz JZFKHFOCWSBCNY-WTOYTKOKSA-N 1 3 369.553 2.926 20 0 FFADHO CN1CCCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000876033064 1014115106 /nfs/dbraw/zinc/11/51/06/1014115106.db2.gz IVUPCOQHAIRPMV-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC001088201577 973633215 /nfs/dbraw/zinc/63/32/15/973633215.db2.gz JFVZIRGPEUFQHJ-KSZLIROESA-N 1 3 359.489 2.763 20 0 FFADHO C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC001088201577 973633216 /nfs/dbraw/zinc/63/32/16/973633216.db2.gz JFVZIRGPEUFQHJ-KSZLIROESA-N 1 3 359.489 2.763 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000665637846 973783184 /nfs/dbraw/zinc/78/31/84/973783184.db2.gz QQRVLKZXRBHUHW-INIZCTEOSA-N 1 3 371.529 2.508 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000665637846 973783192 /nfs/dbraw/zinc/78/31/92/973783192.db2.gz QQRVLKZXRBHUHW-INIZCTEOSA-N 1 3 371.529 2.508 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000897287549 973999200 /nfs/dbraw/zinc/99/92/00/973999200.db2.gz BRXZHIPUEISGSM-IBGZPJMESA-N 1 3 359.514 2.821 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000665757775 974085417 /nfs/dbraw/zinc/08/54/17/974085417.db2.gz WJPFHAHGSVMTSB-BJLQDIEVSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000665757775 974085427 /nfs/dbraw/zinc/08/54/27/974085427.db2.gz WJPFHAHGSVMTSB-BJLQDIEVSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758499 974177538 /nfs/dbraw/zinc/17/75/38/974177538.db2.gz VIQUDMORQVUXMF-MRXNPFEDSA-N 1 3 352.482 2.980 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001027419428 974406765 /nfs/dbraw/zinc/40/67/65/974406765.db2.gz PPQUXMSLINPZMK-HSALFYBXSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001027419428 974406770 /nfs/dbraw/zinc/40/67/70/974406770.db2.gz PPQUXMSLINPZMK-HSALFYBXSA-N 1 3 361.505 2.979 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C2 ZINC000652152600 974638682 /nfs/dbraw/zinc/63/86/82/974638682.db2.gz RKSAWLRKKNFDLG-ONTIZHBOSA-N 1 3 370.541 2.984 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000047910021 974689407 /nfs/dbraw/zinc/68/94/07/974689407.db2.gz UABHRTSDEDBDHF-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348232 974952297 /nfs/dbraw/zinc/95/22/97/974952297.db2.gz YFRUIZBIILICNN-MFPFFRNPSA-N 1 3 373.541 2.779 20 0 FFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360480 974996866 /nfs/dbraw/zinc/99/68/66/974996866.db2.gz JAXXIXHBRDEHSG-MDNKFWRPSA-N 1 3 359.514 2.567 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(F)(F)F)C1 ZINC001112530015 975372275 /nfs/dbraw/zinc/37/22/75/975372275.db2.gz ZEFJUKIVCOOETF-VYDXJSESSA-N 1 3 361.452 2.641 20 0 FFADHO COCCN(CCOc1ccc(F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662257001 975383465 /nfs/dbraw/zinc/38/34/65/975383465.db2.gz LIQDLVQSAKUYKH-UHFFFAOYSA-N 1 3 358.457 2.999 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC1(c2ccccc2)CCC1 ZINC000662298760 975411909 /nfs/dbraw/zinc/41/19/09/975411909.db2.gz XOLCWOUAXBDSEZ-LJQANCHMSA-N 1 3 355.526 2.894 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC1(c2ccccc2)CCC1 ZINC000662298758 975412652 /nfs/dbraw/zinc/41/26/52/975412652.db2.gz XOLCWOUAXBDSEZ-IBGZPJMESA-N 1 3 355.526 2.894 20 0 FFADHO CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369097 975632584 /nfs/dbraw/zinc/63/25/84/975632584.db2.gz WVFCURKTCZAJLO-RTWAWAEBSA-N 1 3 360.542 2.912 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC001027894000 975747468 /nfs/dbraw/zinc/74/74/68/975747468.db2.gz IDNSUVQXNOILID-MAODMQOUSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC001027894000 975747495 /nfs/dbraw/zinc/74/74/95/975747495.db2.gz IDNSUVQXNOILID-MAODMQOUSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)[C@H]([NH3+])CCNCc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000663500392 976067036 /nfs/dbraw/zinc/06/70/36/976067036.db2.gz RBCIJFNBNLTNNO-QGZVFWFLSA-N 1 3 358.486 2.711 20 0 FFADHO C[NH+](C)CCN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccccc1 ZINC000667568452 976404306 /nfs/dbraw/zinc/40/43/06/976404306.db2.gz DSGMDXFBQTVJBK-HZPDHXFCSA-N 1 3 374.403 2.565 20 0 FFADHO C[NH+](C)CCN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccccc1 ZINC000667568450 976404527 /nfs/dbraw/zinc/40/45/27/976404527.db2.gz DSGMDXFBQTVJBK-CVEARBPZSA-N 1 3 374.403 2.565 20 0 FFADHO COc1nccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898518720 976513070 /nfs/dbraw/zinc/51/30/70/976513070.db2.gz KCRPUJCBQAGQDD-CEXWTWQISA-N 1 3 352.482 2.876 20 0 FFADHO COc1nccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898518720 976513084 /nfs/dbraw/zinc/51/30/84/976513084.db2.gz KCRPUJCBQAGQDD-CEXWTWQISA-N 1 3 352.482 2.876 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000898579471 976551103 /nfs/dbraw/zinc/55/11/03/976551103.db2.gz RSVCFUIMDQVMSF-VQIMIIECSA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000898579471 976551116 /nfs/dbraw/zinc/55/11/16/976551116.db2.gz RSVCFUIMDQVMSF-VQIMIIECSA-N 1 3 361.530 2.971 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000898584678 976556241 /nfs/dbraw/zinc/55/62/41/976556241.db2.gz HSSUYJKULUXJDZ-PXNSSMCTSA-N 1 3 360.546 2.744 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000898584678 976556253 /nfs/dbraw/zinc/55/62/53/976556253.db2.gz HSSUYJKULUXJDZ-PXNSSMCTSA-N 1 3 360.546 2.744 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCc4cc(F)ccc43)CC2)CC1 ZINC000667642252 976570267 /nfs/dbraw/zinc/57/02/67/976570267.db2.gz URPBWZZJCKPDCG-FQEVSTJZSA-N 1 3 359.489 2.530 20 0 FFADHO CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663697820 976876684 /nfs/dbraw/zinc/87/66/84/976876684.db2.gz QOMFPWDRHQBMAK-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663697820 976876694 /nfs/dbraw/zinc/87/66/94/976876694.db2.gz QOMFPWDRHQBMAK-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO COc1cccc([C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000876709468 1014358542 /nfs/dbraw/zinc/35/85/42/1014358542.db2.gz RQRHAGCODYHMOY-IAJJCYPOSA-N 1 3 357.498 2.504 20 0 FFADHO COc1ccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)cc1 ZINC000990760652 976948951 /nfs/dbraw/zinc/94/89/51/976948951.db2.gz GWULOWGDOZALTH-ALOBAPJISA-N 1 3 371.525 2.649 20 0 FFADHO COc1ccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)cc1 ZINC000990760652 976948962 /nfs/dbraw/zinc/94/89/62/976948962.db2.gz GWULOWGDOZALTH-ALOBAPJISA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H](CCNC(=O)Nc1cnc2c(c1)CNCC2)[N@H+](C)Cc1ccccc1 ZINC000667799505 977051940 /nfs/dbraw/zinc/05/19/40/977051940.db2.gz WVJHEADAVFKBBF-INIZCTEOSA-N 1 3 367.497 2.759 20 0 FFADHO C[C@@H](CCNC(=O)Nc1cnc2c(c1)CNCC2)[N@@H+](C)Cc1ccccc1 ZINC000667799505 977051952 /nfs/dbraw/zinc/05/19/52/977051952.db2.gz WVJHEADAVFKBBF-INIZCTEOSA-N 1 3 367.497 2.759 20 0 FFADHO C[C@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C[N@@H+]1Cc1ccccc1 ZINC000667799280 977053421 /nfs/dbraw/zinc/05/34/21/977053421.db2.gz QZKXOCDZPSETOP-KXBFYZLASA-N 1 3 365.481 2.512 20 0 FFADHO C[C@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C[N@H+]1Cc1ccccc1 ZINC000667799280 977053434 /nfs/dbraw/zinc/05/34/34/977053434.db2.gz QZKXOCDZPSETOP-KXBFYZLASA-N 1 3 365.481 2.512 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000667795816 977055196 /nfs/dbraw/zinc/05/51/96/977055196.db2.gz QNNGLINYGQJDEU-QGZVFWFLSA-N 1 3 371.529 2.847 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001211713790 977390209 /nfs/dbraw/zinc/39/02/09/977390209.db2.gz UGDARDBEVPKVDJ-DLBZAZTESA-N 1 3 371.447 2.865 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCF)CC[C@@H]2c2ccccc2)C1 ZINC001087441381 977488543 /nfs/dbraw/zinc/48/85/43/977488543.db2.gz DPIOUNRDNDHPJU-DFQSSKMNSA-N 1 3 361.505 2.662 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCF)CC[C@@H]2c2ccccc2)C1 ZINC001087441381 977488546 /nfs/dbraw/zinc/48/85/46/977488546.db2.gz DPIOUNRDNDHPJU-DFQSSKMNSA-N 1 3 361.505 2.662 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000664183545 978333694 /nfs/dbraw/zinc/33/36/94/978333694.db2.gz KKBVMOLTBSBMRP-KSSFIOAISA-N 1 3 370.488 2.987 20 0 FFADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000664183545 978333700 /nfs/dbraw/zinc/33/37/00/978333700.db2.gz KKBVMOLTBSBMRP-KSSFIOAISA-N 1 3 370.488 2.987 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001268760102 978389628 /nfs/dbraw/zinc/38/96/28/978389628.db2.gz RMGUSHMMZNDGTN-IEZWGBDMSA-N 1 3 367.484 2.812 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001268760102 978389636 /nfs/dbraw/zinc/38/96/36/978389636.db2.gz RMGUSHMMZNDGTN-IEZWGBDMSA-N 1 3 367.484 2.812 20 0 FFADHO Cc1ncc(CN[C@@H]2CCCCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001088317193 979134205 /nfs/dbraw/zinc/13/42/05/979134205.db2.gz VIHQDLRNAYDLQH-QGPMSJSTSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ncc(CN[C@@H]2CCCCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001088317193 979134209 /nfs/dbraw/zinc/13/42/09/979134209.db2.gz VIHQDLRNAYDLQH-QGPMSJSTSA-N 1 3 364.559 2.653 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242554 979275018 /nfs/dbraw/zinc/27/50/18/979275018.db2.gz JHQUGJRNEFURMT-YUXAGFNASA-N 1 3 369.553 2.666 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242554 979275021 /nfs/dbraw/zinc/27/50/21/979275021.db2.gz JHQUGJRNEFURMT-YUXAGFNASA-N 1 3 369.553 2.666 20 0 FFADHO NC1(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)Cc2ccccc2C1 ZINC000877450060 1014587755 /nfs/dbraw/zinc/58/77/55/1014587755.db2.gz XCLVLAOXMLEVFU-OXJNMPFZSA-N 1 3 355.526 2.629 20 0 FFADHO C[NH+](C)CCC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000121616264 979642415 /nfs/dbraw/zinc/64/24/15/979642415.db2.gz SBDRTPPORKJAQF-UHFFFAOYSA-N 1 3 368.525 2.716 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(F)F)cc4)C[C@H]32)C1 ZINC001076567960 979665158 /nfs/dbraw/zinc/66/51/58/979665158.db2.gz OJUUKQRTAHEPJR-RCCFBDPRSA-N 1 3 363.452 2.609 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(F)F)cc4)C[C@H]32)C1 ZINC001076567960 979665164 /nfs/dbraw/zinc/66/51/64/979665164.db2.gz OJUUKQRTAHEPJR-RCCFBDPRSA-N 1 3 363.452 2.609 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000877495665 1014600525 /nfs/dbraw/zinc/60/05/25/1014600525.db2.gz DMUPWOPZTFWQMK-QFIPXVFZSA-N 1 3 359.558 2.724 20 0 FFADHO CC(C)Oc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494074 980055881 /nfs/dbraw/zinc/05/58/81/980055881.db2.gz KHHOUQMITAEQOM-NEWSRXKRSA-N 1 3 359.514 2.647 20 0 FFADHO CC(C)Oc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494074 980055888 /nfs/dbraw/zinc/05/58/88/980055888.db2.gz KHHOUQMITAEQOM-NEWSRXKRSA-N 1 3 359.514 2.647 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cnn(Cc3ccccc3Cl)c1)CC2 ZINC000904392621 980263148 /nfs/dbraw/zinc/26/31/48/980263148.db2.gz VQDPSXZCBYMDKU-SFHVURJKSA-N 1 3 374.916 2.915 20 0 FFADHO C[C@H]1C[C@@H](Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000877609707 1014643836 /nfs/dbraw/zinc/64/38/36/1014643836.db2.gz HEPLVUJOSDZVPG-ICSRJNTNSA-N 1 3 360.546 2.598 20 0 FFADHO C[C@H]1C[C@@H](Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000877609707 1014643842 /nfs/dbraw/zinc/64/38/42/1014643842.db2.gz HEPLVUJOSDZVPG-ICSRJNTNSA-N 1 3 360.546 2.598 20 0 FFADHO CCOc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1O ZINC000668490267 980516331 /nfs/dbraw/zinc/51/63/31/980516331.db2.gz UIMZZYMWAMAZLY-LJQANCHMSA-N 1 3 356.466 2.647 20 0 FFADHO CCOc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1O ZINC000668490267 980516333 /nfs/dbraw/zinc/51/63/33/980516333.db2.gz UIMZZYMWAMAZLY-LJQANCHMSA-N 1 3 356.466 2.647 20 0 FFADHO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877665651 1014667567 /nfs/dbraw/zinc/66/75/67/1014667567.db2.gz CYKGIDJBHXNTLE-SVFBPWRDSA-N 1 3 357.542 2.789 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1[C@@H](C)C1CC1 ZINC000666664115 981193800 /nfs/dbraw/zinc/19/38/00/981193800.db2.gz XMSNNUPSCARJHE-HOCLYGCPSA-N 1 3 364.538 2.556 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1[C@@H](C)C1CC1 ZINC000666664115 981193808 /nfs/dbraw/zinc/19/38/08/981193808.db2.gz XMSNNUPSCARJHE-HOCLYGCPSA-N 1 3 364.538 2.556 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000907332348 981227346 /nfs/dbraw/zinc/22/73/46/981227346.db2.gz UQOVLFUBTDNTGR-YLJYHZDGSA-N 1 3 371.525 2.771 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000907332348 981227351 /nfs/dbraw/zinc/22/73/51/981227351.db2.gz UQOVLFUBTDNTGR-YLJYHZDGSA-N 1 3 371.525 2.771 20 0 FFADHO CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001272090941 981405323 /nfs/dbraw/zinc/40/53/23/981405323.db2.gz OZYBXWOTTGDVDZ-NRFANRHFSA-N 1 3 358.530 2.561 20 0 FFADHO COc1ccccc1-n1nccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707499 1014745859 /nfs/dbraw/zinc/74/58/59/1014745859.db2.gz HINDYODVYRCZHV-XGHQBKJUSA-N 1 3 370.497 2.599 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897543910 982054694 /nfs/dbraw/zinc/05/46/94/982054694.db2.gz AAZHDFUFOWBCHD-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897543910 982054704 /nfs/dbraw/zinc/05/47/04/982054704.db2.gz AAZHDFUFOWBCHD-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000897547989 982167109 /nfs/dbraw/zinc/16/71/09/982167109.db2.gz PBLWRAVSVFTJKV-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000897547989 982167114 /nfs/dbraw/zinc/16/71/14/982167114.db2.gz PBLWRAVSVFTJKV-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000897547992 982167519 /nfs/dbraw/zinc/16/75/19/982167519.db2.gz PBLWRAVSVFTJKV-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000897547992 982167525 /nfs/dbraw/zinc/16/75/25/982167525.db2.gz PBLWRAVSVFTJKV-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000878383652 1015017569 /nfs/dbraw/zinc/01/75/69/1015017569.db2.gz AJMUOJPOQNQJIH-IITNATTFSA-N 1 3 368.521 2.971 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)N1CCc2ccccc2C1 ZINC000669292944 984414928 /nfs/dbraw/zinc/41/49/28/984414928.db2.gz XITXZGMCWBLDGA-NSISKUIASA-N 1 3 358.530 2.592 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439026 984539939 /nfs/dbraw/zinc/53/99/39/984539939.db2.gz OQHVGAXMIWHEGK-SVFBPWRDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439026 984539944 /nfs/dbraw/zinc/53/99/44/984539944.db2.gz OQHVGAXMIWHEGK-SVFBPWRDSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@H](C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12)OC ZINC001107495247 984596892 /nfs/dbraw/zinc/59/68/92/984596892.db2.gz LNBMVQZAEGMQHT-DBXWQHBBSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@H](C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12)OC ZINC001107495247 984596897 /nfs/dbraw/zinc/59/68/97/984596897.db2.gz LNBMVQZAEGMQHT-DBXWQHBBSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000669483917 984650646 /nfs/dbraw/zinc/65/06/46/984650646.db2.gz SFFKKELQMSDPAC-IHPCNDPISA-N 1 3 358.530 2.901 20 0 FFADHO Cc1ccncc1C[N@@H+]1CC[C@@]2(CNC(=O)CN3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546997 984673228 /nfs/dbraw/zinc/67/32/28/984673228.db2.gz WXMGNUQXSIXLQZ-UCNVEGJOSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1ccncc1C[N@H+]1CC[C@@]2(CNC(=O)CN3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546997 984673232 /nfs/dbraw/zinc/67/32/32/984673232.db2.gz WXMGNUQXSIXLQZ-UCNVEGJOSA-N 1 3 370.541 2.593 20 0 FFADHO C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)N1CCCCCC1 ZINC001107567216 984712560 /nfs/dbraw/zinc/71/25/60/984712560.db2.gz NZVOTIGGQYAASL-QWFCFKBJSA-N 1 3 353.526 2.971 20 0 FFADHO C[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)N1CCCCCC1 ZINC001107567216 984712570 /nfs/dbraw/zinc/71/25/70/984712570.db2.gz NZVOTIGGQYAASL-QWFCFKBJSA-N 1 3 353.526 2.971 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582492 984733035 /nfs/dbraw/zinc/73/30/35/984733035.db2.gz GYXPUTSQLQGWAS-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)CN(CC)CC)CCC[C@@H]12 ZINC001107582492 984733039 /nfs/dbraw/zinc/73/30/39/984733039.db2.gz GYXPUTSQLQGWAS-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccccc1 ZINC000669545934 984759975 /nfs/dbraw/zinc/75/99/75/984759975.db2.gz ZNGOHMIXOCFZKG-WOJBJXKFSA-N 1 3 350.466 2.534 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2 ZINC001107646131 984937109 /nfs/dbraw/zinc/93/71/09/984937109.db2.gz DNBPAGRCLMRIGT-SJLPKXTDSA-N 1 3 357.489 2.733 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2 ZINC001107646131 984937113 /nfs/dbraw/zinc/93/71/13/984937113.db2.gz DNBPAGRCLMRIGT-SJLPKXTDSA-N 1 3 357.489 2.733 20 0 FFADHO O=C(N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001098842073 985341134 /nfs/dbraw/zinc/34/11/34/985341134.db2.gz VYLZNJOTVZFPCZ-NSHGMRRFSA-N 1 3 359.539 2.561 20 0 FFADHO COc1ccc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)c1O ZINC001206025998 1032112502 /nfs/dbraw/zinc/11/25/02/1032112502.db2.gz QJJCTGOVECVRTC-NWDGAFQWSA-N 1 3 357.292 2.970 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646408701 986264220 /nfs/dbraw/zinc/26/42/20/986264220.db2.gz CXBDMFICJYEGNB-HBMCJLEFSA-N 1 3 355.526 2.966 20 0 FFADHO CN(CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)Cc1ccccc1 ZINC000914332765 987446067 /nfs/dbraw/zinc/44/60/67/987446067.db2.gz FUKIFTNNYUFCID-HXUWFJFHSA-N 1 3 369.513 2.506 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106198951 987628524 /nfs/dbraw/zinc/62/85/24/987628524.db2.gz UDBINJQZBYPUKG-VLAJVKLXSA-N 1 3 368.324 2.669 20 0 FFADHO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCN2CCC1CC2 ZINC000672874394 987636332 /nfs/dbraw/zinc/63/63/32/987636332.db2.gz XNCYACPVOCXZEA-HXUWFJFHSA-N 1 3 356.514 2.703 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cccc(Oc3ccccn3)c2)CC1(C)C ZINC000922099048 987651315 /nfs/dbraw/zinc/65/13/15/987651315.db2.gz NWNMXUPJEBRKEE-UHFFFAOYSA-N 1 3 354.498 2.990 20 0 FFADHO Cc1cccc(OC[C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311405005 987662653 /nfs/dbraw/zinc/66/26/53/987662653.db2.gz WATPUWZRDCSZKZ-NHCUHLMSSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1cccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311405005 987662657 /nfs/dbraw/zinc/66/26/57/987662657.db2.gz WATPUWZRDCSZKZ-NHCUHLMSSA-N 1 3 354.494 2.846 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106271312 987801561 /nfs/dbraw/zinc/80/15/61/987801561.db2.gz AGSQMOIMWLWWTF-SWLWZWPXSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106271312 987801565 /nfs/dbraw/zinc/80/15/65/987801565.db2.gz AGSQMOIMWLWWTF-SWLWZWPXSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001085196510 988104610 /nfs/dbraw/zinc/10/46/10/988104610.db2.gz BWWUIULJWOHYNO-ZACQAIPSSA-N 1 3 350.532 2.533 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)ccc2O1 ZINC000922239627 988224589 /nfs/dbraw/zinc/22/45/89/988224589.db2.gz JSHKLKDGJFQTLU-HRAATJIYSA-N 1 3 352.478 2.866 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)ccc2O1 ZINC000922239627 988224601 /nfs/dbraw/zinc/22/46/01/988224601.db2.gz JSHKLKDGJFQTLU-HRAATJIYSA-N 1 3 352.478 2.866 20 0 FFADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1CNCc1cscn1 ZINC001106483276 988251473 /nfs/dbraw/zinc/25/14/73/988251473.db2.gz UUWCAHWHFYFCCR-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC000922389713 988538269 /nfs/dbraw/zinc/53/82/69/988538269.db2.gz VSBNSVFRWCAGGZ-VMBXEPDQSA-N 1 3 366.509 2.713 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC000922389713 988538276 /nfs/dbraw/zinc/53/82/76/988538276.db2.gz VSBNSVFRWCAGGZ-VMBXEPDQSA-N 1 3 366.509 2.713 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC000922386647 988543215 /nfs/dbraw/zinc/54/32/15/988543215.db2.gz HTJRHXIBDXOFAQ-WERVVEIQSA-N 1 3 354.498 2.646 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC000922386647 988543224 /nfs/dbraw/zinc/54/32/24/988543224.db2.gz HTJRHXIBDXOFAQ-WERVVEIQSA-N 1 3 354.498 2.646 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3OC)C2)[C@H]1C(C)C ZINC000922391802 988549524 /nfs/dbraw/zinc/54/95/24/988549524.db2.gz HFQARGOPGQCEHW-DGQTTZFYSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3OC)C2)[C@H]1C(C)C ZINC000922391802 988549529 /nfs/dbraw/zinc/54/95/29/988549529.db2.gz HFQARGOPGQCEHW-DGQTTZFYSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@@H]1C(C)C ZINC000922392872 988552841 /nfs/dbraw/zinc/55/28/41/988552841.db2.gz HZXNDVCOXVXFFE-WIRSXHRWSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@@H]1C(C)C ZINC000922392872 988552848 /nfs/dbraw/zinc/55/28/48/988552848.db2.gz HZXNDVCOXVXFFE-WIRSXHRWSA-N 1 3 360.546 2.734 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C2)C1 ZINC001106666046 988609604 /nfs/dbraw/zinc/60/96/04/988609604.db2.gz FVYDSOSTMZIHPV-ARFHVFGLSA-N 1 3 363.468 2.745 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001106666664 988609707 /nfs/dbraw/zinc/60/97/07/988609707.db2.gz PPRALWAIXATLRI-SFHLNBCPSA-N 1 3 357.542 2.563 20 0 FFADHO Cc1ccc(CCC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001106666873 988609870 /nfs/dbraw/zinc/60/98/70/988609870.db2.gz XWBIKZGZYNQNNG-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)cc1 ZINC001106704743 988726515 /nfs/dbraw/zinc/72/65/15/988726515.db2.gz AZYHJOYXPCJTLX-IDHHARJASA-N 1 3 358.461 2.927 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C(F)(F)F ZINC001099252611 988817886 /nfs/dbraw/zinc/81/78/86/988817886.db2.gz QUNWAONUJFGRJI-HUUCEWRRSA-N 1 3 363.468 2.886 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001106778252 989032182 /nfs/dbraw/zinc/03/21/82/989032182.db2.gz ASCHTCQUVMMJMU-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2csc(C3CC3)n2)[C@H](C)C1 ZINC001106840560 989552179 /nfs/dbraw/zinc/55/21/79/989552179.db2.gz TUJPUCAGMIVKRU-GDBMZVCRSA-N 1 3 364.559 2.546 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2csc(C3CC3)n2)[C@H](C)C1 ZINC001106840560 989552183 /nfs/dbraw/zinc/55/21/83/989552183.db2.gz TUJPUCAGMIVKRU-GDBMZVCRSA-N 1 3 364.559 2.546 20 0 FFADHO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700802360 989670546 /nfs/dbraw/zinc/67/05/46/989670546.db2.gz HRJNLXBCTPRNMB-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3F)CC2)CC1 ZINC000652278126 1015515468 /nfs/dbraw/zinc/51/54/68/1015515468.db2.gz CJAUBWJOACWNIZ-UHFFFAOYSA-N 1 3 362.493 2.690 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085196714 989905700 /nfs/dbraw/zinc/90/57/00/989905700.db2.gz KWLOZBJKFMOVPZ-GUDVDZBRSA-N 1 3 362.518 2.681 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085196714 989905704 /nfs/dbraw/zinc/90/57/04/989905704.db2.gz KWLOZBJKFMOVPZ-GUDVDZBRSA-N 1 3 362.518 2.681 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362705 1015542102 /nfs/dbraw/zinc/54/21/02/1015542102.db2.gz NEVDJKURRCGICQ-NJDAHSKKSA-N 1 3 373.541 2.933 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000675532195 990297061 /nfs/dbraw/zinc/29/70/61/990297061.db2.gz CIIBTKILPGBMOI-KVPLUYHFSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000675532195 990297073 /nfs/dbraw/zinc/29/70/73/990297073.db2.gz CIIBTKILPGBMOI-KVPLUYHFSA-N 1 3 358.530 2.536 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000919775942 990728330 /nfs/dbraw/zinc/72/83/30/990728330.db2.gz BYDCNBNICHEKGP-FQEVSTJZSA-N 1 3 360.546 2.534 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000919775942 990728336 /nfs/dbraw/zinc/72/83/36/990728336.db2.gz BYDCNBNICHEKGP-FQEVSTJZSA-N 1 3 360.546 2.534 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)N(C)C ZINC000923159728 990913134 /nfs/dbraw/zinc/91/31/34/990913134.db2.gz FVLPEHANVDVSIV-PMACEKPBSA-N 1 3 373.541 2.657 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000921273915 991028006 /nfs/dbraw/zinc/02/80/06/991028006.db2.gz MMZPWGYUAKGQTM-LJQANCHMSA-N 1 3 374.598 2.845 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000921273915 991028012 /nfs/dbraw/zinc/02/80/12/991028012.db2.gz MMZPWGYUAKGQTM-LJQANCHMSA-N 1 3 374.598 2.845 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000921274222 991028175 /nfs/dbraw/zinc/02/81/75/991028175.db2.gz QAGBZCOVZVNWBU-WOJBJXKFSA-N 1 3 374.598 2.990 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000921274222 991028179 /nfs/dbraw/zinc/02/81/79/991028179.db2.gz QAGBZCOVZVNWBU-WOJBJXKFSA-N 1 3 374.598 2.990 20 0 FFADHO N[C@@H](CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC000237909286 991393493 /nfs/dbraw/zinc/39/34/93/991393493.db2.gz PARYRZVUYXVYKW-MOPGFXCFSA-N 1 3 367.449 2.624 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC2CC2)C1)N(C)C ZINC001079158978 991863002 /nfs/dbraw/zinc/86/30/02/991863002.db2.gz DDCSPVPSNWPDFY-ZCNNSNEGSA-N 1 3 361.505 2.850 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]C(C)C)C1 ZINC001079321985 991997210 /nfs/dbraw/zinc/99/72/10/991997210.db2.gz HODROZZSBZDVGD-SXLOBPIMSA-N 1 3 361.505 2.993 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001079806367 992457959 /nfs/dbraw/zinc/45/79/59/992457959.db2.gz DNQKGFRSMDGURQ-MAODMQOUSA-N 1 3 368.525 2.979 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001079806367 992457964 /nfs/dbraw/zinc/45/79/64/992457964.db2.gz DNQKGFRSMDGURQ-MAODMQOUSA-N 1 3 368.525 2.979 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1C ZINC001080756081 993339787 /nfs/dbraw/zinc/33/97/87/993339787.db2.gz IHFZJJSQKYUUIT-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1C ZINC001080756081 993339793 /nfs/dbraw/zinc/33/97/93/993339793.db2.gz IHFZJJSQKYUUIT-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001080992585 993544480 /nfs/dbraw/zinc/54/44/80/993544480.db2.gz QOPDMUOVXCWUBG-RDTXWAMCSA-N 1 3 365.468 2.844 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001080992585 993544485 /nfs/dbraw/zinc/54/44/85/993544485.db2.gz QOPDMUOVXCWUBG-RDTXWAMCSA-N 1 3 365.468 2.844 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001081128333 993686858 /nfs/dbraw/zinc/68/68/58/993686858.db2.gz UQORULHXVXNHHV-HBMCJLEFSA-N 1 3 357.542 2.957 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](NCCF)C2)c1 ZINC001081230343 993769932 /nfs/dbraw/zinc/76/99/32/993769932.db2.gz ZUXOICIHQIXIDW-LEWJYISDSA-N 1 3 369.484 2.916 20 0 FFADHO CCc1ccc2c(CN(C)CCC[N@H+](C)CCN(C)C)cc(=O)oc2c1 ZINC000808781427 994259821 /nfs/dbraw/zinc/25/98/21/994259821.db2.gz FSTNDYZFIHXLNS-UHFFFAOYSA-N 1 3 359.514 2.671 20 0 FFADHO CCc1ccc2c(CN(C)CCC[N@@H+](C)CCN(C)C)cc(=O)oc2c1 ZINC000808781427 994259832 /nfs/dbraw/zinc/25/98/32/994259832.db2.gz FSTNDYZFIHXLNS-UHFFFAOYSA-N 1 3 359.514 2.671 20 0 FFADHO CCCCCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C(C)C)CC1 ZINC001131578262 994415742 /nfs/dbraw/zinc/41/57/42/994415742.db2.gz NTQVMFHDSAQURB-CTNGQTDRSA-N 1 3 367.578 2.893 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131582856 994428654 /nfs/dbraw/zinc/42/86/54/994428654.db2.gz CSOHJSHKAQMHAY-CTNGQTDRSA-N 1 3 367.578 2.750 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](OC)C1 ZINC001082382684 994496882 /nfs/dbraw/zinc/49/68/82/994496882.db2.gz OWBFQBCSNYMION-WOJBJXKFSA-N 1 3 361.530 2.613 20 0 FFADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](OC)C1 ZINC001082382684 994496885 /nfs/dbraw/zinc/49/68/85/994496885.db2.gz OWBFQBCSNYMION-WOJBJXKFSA-N 1 3 361.530 2.613 20 0 FFADHO CN1CCN(CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1(C)C ZINC000809661276 994573837 /nfs/dbraw/zinc/57/38/37/994573837.db2.gz ZEOCANPXBXCWTH-UHFFFAOYSA-N 1 3 370.582 2.638 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@H]2C)cc1 ZINC001082507939 994791545 /nfs/dbraw/zinc/79/15/45/994791545.db2.gz KMCDVMQTSSHADH-HMXCVIKNSA-N 1 3 357.542 2.847 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001082557576 994927823 /nfs/dbraw/zinc/92/78/23/994927823.db2.gz PQTJDVDKEAPPAW-YLJYHZDGSA-N 1 3 357.542 2.712 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccccc1OC1CC1 ZINC001082557421 994928414 /nfs/dbraw/zinc/92/84/14/994928414.db2.gz CRDCXKIWPMUVMY-VQIMIIECSA-N 1 3 371.525 2.649 20 0 FFADHO COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)ccc1C ZINC001082575194 994995689 /nfs/dbraw/zinc/99/56/89/994995689.db2.gz QFRLHKYHSKUJMB-POAQFYNOSA-N 1 3 361.530 2.526 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2)C1)N(C)C ZINC001082574951 994996595 /nfs/dbraw/zinc/99/65/95/994996595.db2.gz BTMCURBVTVJRIF-LZQZEXGQSA-N 1 3 365.949 2.905 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001082575263 994997962 /nfs/dbraw/zinc/99/79/62/994997962.db2.gz UUWJRLWTSWRGTP-OLMNPRSZSA-N 1 3 351.922 2.863 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2)C1)N(C)C ZINC001082589126 995001261 /nfs/dbraw/zinc/00/12/61/995001261.db2.gz JZFZJFIUKLRJEC-ZTFGCOKTSA-N 1 3 351.922 2.659 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000054045561 995153467 /nfs/dbraw/zinc/15/34/67/995153467.db2.gz SREVYXNGYNUZFN-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1csc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001086695428 995154607 /nfs/dbraw/zinc/15/46/07/995154607.db2.gz QKHISHABEBUPGV-BBWFWOEESA-N 1 3 364.559 2.699 20 0 FFADHO Cc1csc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001086695428 995154617 /nfs/dbraw/zinc/15/46/17/995154617.db2.gz QKHISHABEBUPGV-BBWFWOEESA-N 1 3 364.559 2.699 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000811520228 995162726 /nfs/dbraw/zinc/16/27/26/995162726.db2.gz LQQLGIWSXCHASH-FXAWDEMLSA-N 1 3 365.493 2.627 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000811520228 995162731 /nfs/dbraw/zinc/16/27/31/995162731.db2.gz LQQLGIWSXCHASH-FXAWDEMLSA-N 1 3 365.493 2.627 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1NCc1ccccn1 ZINC001082699718 995297333 /nfs/dbraw/zinc/29/73/33/995297333.db2.gz SIBFDFPNDJFQQT-UIFIKXQLSA-N 1 3 370.541 2.815 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1NCc1ccccn1 ZINC001082699718 995297341 /nfs/dbraw/zinc/29/73/41/995297341.db2.gz SIBFDFPNDJFQQT-UIFIKXQLSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2c(F)cccc2F)C1)N(C)C ZINC001082724789 995361305 /nfs/dbraw/zinc/36/13/05/995361305.db2.gz KEEWLBDQUZVDMB-NIKGAXFTSA-N 1 3 367.484 2.530 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC001082743926 995403001 /nfs/dbraw/zinc/40/30/01/995403001.db2.gz JYKDFMHYTFHWCT-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000727228405 995726407 /nfs/dbraw/zinc/72/64/07/995726407.db2.gz GQIZFBJAJOPFIG-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000727228405 995726410 /nfs/dbraw/zinc/72/64/10/995726410.db2.gz GQIZFBJAJOPFIG-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCc4cccs4)C[C@H]32)CC[N@@H+]1C ZINC001084357242 996484464 /nfs/dbraw/zinc/48/44/64/996484464.db2.gz QGHSTTYARBNDMS-QXCFHYIPSA-N 1 3 361.555 2.554 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCc4cccs4)C[C@H]32)CC[N@H+]1C ZINC001084357242 996484468 /nfs/dbraw/zinc/48/44/68/996484468.db2.gz QGHSTTYARBNDMS-QXCFHYIPSA-N 1 3 361.555 2.554 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084398660 996542047 /nfs/dbraw/zinc/54/20/47/996542047.db2.gz JWQKQKZDWNYFDD-YPAWHYETSA-N 1 3 369.553 2.740 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)C1 ZINC001084398660 996542051 /nfs/dbraw/zinc/54/20/51/996542051.db2.gz JWQKQKZDWNYFDD-YPAWHYETSA-N 1 3 369.553 2.740 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084405473 996548766 /nfs/dbraw/zinc/54/87/66/996548766.db2.gz OOWAPCZWUDTPOT-QHAWAJNXSA-N 1 3 355.526 2.982 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084405473 996548768 /nfs/dbraw/zinc/54/87/68/996548768.db2.gz OOWAPCZWUDTPOT-QHAWAJNXSA-N 1 3 355.526 2.982 20 0 FFADHO O=C(N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084444645 996597213 /nfs/dbraw/zinc/59/72/13/996597213.db2.gz AAFFMNGQWFERKP-WOJBJXKFSA-N 1 3 353.510 2.595 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)c1 ZINC001084483377 996602605 /nfs/dbraw/zinc/60/26/05/996602605.db2.gz ACDWSPDINGCWQO-TZIWHRDSSA-N 1 3 367.537 2.965 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001084476232 996617690 /nfs/dbraw/zinc/61/76/90/996617690.db2.gz OXFSQTKKNMSGGW-FGTMMUONSA-N 1 3 369.500 2.685 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001084476232 996617695 /nfs/dbraw/zinc/61/76/95/996617695.db2.gz OXFSQTKKNMSGGW-FGTMMUONSA-N 1 3 369.500 2.685 20 0 FFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084545404 996665745 /nfs/dbraw/zinc/66/57/45/996665745.db2.gz IVQNZKQRCAMAPO-NJDAHSKKSA-N 1 3 357.542 2.894 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084639204 996744386 /nfs/dbraw/zinc/74/43/86/996744386.db2.gz JBOLCZQRCXCXTH-YPAWHYETSA-N 1 3 371.569 2.910 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001084639204 996744391 /nfs/dbraw/zinc/74/43/91/996744391.db2.gz JBOLCZQRCXCXTH-YPAWHYETSA-N 1 3 371.569 2.910 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c(C)s1 ZINC001084775703 997285105 /nfs/dbraw/zinc/28/51/05/997285105.db2.gz RIDVVRLDOPZGQP-YQVWRLOYSA-N 1 3 361.555 2.739 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)c(C)s1 ZINC001084775703 997285121 /nfs/dbraw/zinc/28/51/21/997285121.db2.gz RIDVVRLDOPZGQP-YQVWRLOYSA-N 1 3 361.555 2.739 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc5ccccc5c4)C[C@H]32)C1 ZINC001084831165 997576648 /nfs/dbraw/zinc/57/66/48/997576648.db2.gz BGWDFQAJEJFUCQ-YPAWHYETSA-N 1 3 363.505 2.824 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc5ccccc5c4)C[C@H]32)C1 ZINC001084831165 997576661 /nfs/dbraw/zinc/57/66/61/997576661.db2.gz BGWDFQAJEJFUCQ-YPAWHYETSA-N 1 3 363.505 2.824 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000844164567 997690309 /nfs/dbraw/zinc/69/03/09/997690309.db2.gz DPEWBZIMVBCWJR-UHFFFAOYSA-N 1 3 351.450 2.926 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1 ZINC001084998074 998603748 /nfs/dbraw/zinc/60/37/48/998603748.db2.gz REPNALXCVKEJRO-HLAWJBBLSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001084998074 998603750 /nfs/dbraw/zinc/60/37/50/998603750.db2.gz REPNALXCVKEJRO-HLAWJBBLSA-N 1 3 359.558 2.974 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)CC1 ZINC001085022099 998696101 /nfs/dbraw/zinc/69/61/01/998696101.db2.gz ATIHMUZXVBAVCG-NTRZOVMUSA-N 1 3 367.537 2.964 20 0 FFADHO C[N@@H+]1CCC[C@H](CC(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001273255518 998715996 /nfs/dbraw/zinc/71/59/96/998715996.db2.gz QPRJRCUGCPGOBI-OAHLLOKOSA-N 1 3 361.452 2.595 20 0 FFADHO C[N@H+]1CCC[C@H](CC(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001273255518 998715999 /nfs/dbraw/zinc/71/59/99/998715999.db2.gz QPRJRCUGCPGOBI-OAHLLOKOSA-N 1 3 361.452 2.595 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(c3nc4ccccc4[nH]3)CC2)cnn1C ZINC000903879223 1016282805 /nfs/dbraw/zinc/28/28/05/1016282805.db2.gz VZRKWDMXCMEVBT-INIZCTEOSA-N 1 3 366.513 2.602 20 0 FFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001085244942 999242972 /nfs/dbraw/zinc/24/29/72/999242972.db2.gz FMCZYGQBBFFNJE-NUJGCVRESA-N 1 3 370.497 2.829 20 0 FFADHO COc1ccc(C2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)cc1 ZINC000903902781 1016297632 /nfs/dbraw/zinc/29/76/32/1016297632.db2.gz CCTBUXPQNMOPBE-QGZVFWFLSA-N 1 3 356.514 2.734 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001085352791 999408633 /nfs/dbraw/zinc/40/86/33/999408633.db2.gz XGZCYVHEXNGWFH-KFKAGJAMSA-N 1 3 362.518 2.765 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001085395626 999452234 /nfs/dbraw/zinc/45/22/34/999452234.db2.gz UUQQJNZNUZDZBX-RTBURBONSA-N 1 3 359.489 2.747 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCc2ccc(C)cc2)CC[N@@H+]1C ZINC001085603943 999591866 /nfs/dbraw/zinc/59/18/66/999591866.db2.gz RTOQBLOEUCDVGP-QHAWAJNXSA-N 1 3 357.542 2.801 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCc2ccc(C)cc2)CC[N@H+]1C ZINC001085603943 999591870 /nfs/dbraw/zinc/59/18/70/999591870.db2.gz RTOQBLOEUCDVGP-QHAWAJNXSA-N 1 3 357.542 2.801 20 0 FFADHO Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001086090567 999761421 /nfs/dbraw/zinc/76/14/21/999761421.db2.gz FSMQLKHWGGQWCA-XYVMCAHJSA-N 1 3 363.933 2.973 20 0 FFADHO Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001086090567 999761424 /nfs/dbraw/zinc/76/14/24/999761424.db2.gz FSMQLKHWGGQWCA-XYVMCAHJSA-N 1 3 363.933 2.973 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC001086371274 999876036 /nfs/dbraw/zinc/87/60/36/999876036.db2.gz ZHARSNQLAHCPEX-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC001086371274 999876038 /nfs/dbraw/zinc/87/60/38/999876038.db2.gz ZHARSNQLAHCPEX-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO Nc1nc(CN2CCC(CCC[NH+]3CCOCC3)CC2)nc2ccccc12 ZINC000182971470 999930596 /nfs/dbraw/zinc/93/05/96/999930596.db2.gz WNHXHKNZYHDBSJ-UHFFFAOYSA-N 1 3 369.513 2.536 20 0 FFADHO COc1ccc(CN2CC[C@H](N[C@H]3CC[N@H+](CC(C)C)C3)CC2=O)cc1 ZINC001168914165 1000008564 /nfs/dbraw/zinc/00/85/64/1000008564.db2.gz JDGFNFSHRPYRKC-OALUTQOASA-N 1 3 359.514 2.506 20 0 FFADHO COc1ccc(CN2CC[C@H](N[C@H]3CC[N@@H+](CC(C)C)C3)CC2=O)cc1 ZINC001168914165 1000008565 /nfs/dbraw/zinc/00/85/65/1000008565.db2.gz JDGFNFSHRPYRKC-OALUTQOASA-N 1 3 359.514 2.506 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C1)C2 ZINC001169133220 1000023687 /nfs/dbraw/zinc/02/36/87/1000023687.db2.gz CYEONIJUEWXNMC-AHJNKEMKSA-N 1 3 371.525 2.847 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C1)C2 ZINC001169133220 1000023688 /nfs/dbraw/zinc/02/36/88/1000023688.db2.gz CYEONIJUEWXNMC-AHJNKEMKSA-N 1 3 371.525 2.847 20 0 FFADHO Cc1ccc(N2CCC[C@H](N3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)C2=O)cc1 ZINC000846224979 1000235274 /nfs/dbraw/zinc/23/52/74/1000235274.db2.gz HAJGOQMRWZGDNM-JYAXBFRTSA-N 1 3 371.525 2.709 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170002332 1000460537 /nfs/dbraw/zinc/46/05/37/1000460537.db2.gz AGRVLBSDPCIKNM-KRWDZBQOSA-N 1 3 353.551 2.972 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170002332 1000460541 /nfs/dbraw/zinc/46/05/41/1000460541.db2.gz AGRVLBSDPCIKNM-KRWDZBQOSA-N 1 3 353.551 2.972 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091673130 1001034668 /nfs/dbraw/zinc/03/46/68/1001034668.db2.gz ZXGWRDJHIBQAPB-UWVAXJGDSA-N 1 3 353.526 2.779 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCOC)C(C)C ZINC001109859955 1001090940 /nfs/dbraw/zinc/09/09/40/1001090940.db2.gz BUMWWJZNVUJQQE-YDZRNGNQSA-N 1 3 353.551 2.501 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001091721252 1001141295 /nfs/dbraw/zinc/14/12/95/1001141295.db2.gz XUZFHPXCYDLALF-SJBKTWHCSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001091721252 1001141297 /nfs/dbraw/zinc/14/12/97/1001141297.db2.gz XUZFHPXCYDLALF-SJBKTWHCSA-N 1 3 355.526 2.841 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)c1 ZINC001091735106 1001171697 /nfs/dbraw/zinc/17/16/97/1001171697.db2.gz JTRMLCZHNLZJAM-CTNGQTDRSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)c1 ZINC001091735106 1001171698 /nfs/dbraw/zinc/17/16/98/1001171698.db2.gz JTRMLCZHNLZJAM-CTNGQTDRSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738479 1001185481 /nfs/dbraw/zinc/18/54/81/1001185481.db2.gz ZVSCEDFCMGYXBF-LSWJPFSZSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738479 1001185486 /nfs/dbraw/zinc/18/54/86/1001185486.db2.gz ZVSCEDFCMGYXBF-LSWJPFSZSA-N 1 3 369.553 2.924 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC001086882887 1001300522 /nfs/dbraw/zinc/30/05/22/1001300522.db2.gz RUPGHZFDBYPNNR-BBWFWOEESA-N 1 3 364.559 2.700 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087061059 1001743168 /nfs/dbraw/zinc/74/31/68/1001743168.db2.gz MEZRFFVRBCLPBW-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087089168 1001765596 /nfs/dbraw/zinc/76/55/96/1001765596.db2.gz DFGHWWRXQDKYGL-HSALFYBXSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)c1 ZINC001091910184 1002063450 /nfs/dbraw/zinc/06/34/50/1002063450.db2.gz LJUXPLFQTOEUPM-KNQAVFIVSA-N 1 3 370.541 2.545 20 0 FFADHO CC[N@H+](CCCC(=O)N1CC(C)(N(C)C)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051103 1002133988 /nfs/dbraw/zinc/13/39/88/1002133988.db2.gz PPTPDMIHSSTNFH-KRWDZBQOSA-N 1 3 361.530 2.588 20 0 FFADHO CC[N@@H+](CCCC(=O)N1CC(C)(N(C)C)C1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051103 1002133996 /nfs/dbraw/zinc/13/39/96/1002133996.db2.gz PPTPDMIHSSTNFH-KRWDZBQOSA-N 1 3 361.530 2.588 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)N(C)C ZINC001183361998 1002239823 /nfs/dbraw/zinc/23/98/23/1002239823.db2.gz CCSACPUQDPBKML-PCCBWWKXSA-N 1 3 357.542 2.943 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)N(C)C ZINC001183361998 1002239835 /nfs/dbraw/zinc/23/98/35/1002239835.db2.gz CCSACPUQDPBKML-PCCBWWKXSA-N 1 3 357.542 2.943 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCc3cccs3)C[C@@]2(C)C1 ZINC001092010607 1002279638 /nfs/dbraw/zinc/27/96/38/1002279638.db2.gz HYGGLQYVCZCIPW-HLIPFELVSA-N 1 3 361.555 2.555 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCc3cccs3)C[C@@]2(C)C1 ZINC001092010607 1002279645 /nfs/dbraw/zinc/27/96/45/1002279645.db2.gz HYGGLQYVCZCIPW-HLIPFELVSA-N 1 3 361.555 2.555 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3C)C[C@@]2(C)C1)N(C)C ZINC001092021380 1002299042 /nfs/dbraw/zinc/29/90/42/1002299042.db2.gz BFZAUAOGEVBJFU-LMNJBCLMSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@@]2(C)C1)N(C)C ZINC001092021380 1002299051 /nfs/dbraw/zinc/29/90/51/1002299051.db2.gz BFZAUAOGEVBJFU-LMNJBCLMSA-N 1 3 361.505 2.755 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092022462 1002300456 /nfs/dbraw/zinc/30/04/56/1002300456.db2.gz VYCODWVRVGVFCC-GIWBLDEGSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@]2(C)C1 ZINC001092022462 1002300467 /nfs/dbraw/zinc/30/04/67/1002300467.db2.gz VYCODWVRVGVFCC-GIWBLDEGSA-N 1 3 371.569 2.912 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000677899981 1016616816 /nfs/dbraw/zinc/61/68/16/1016616816.db2.gz TXXPWMXPZCKWGY-GOSISDBHSA-N 1 3 358.530 2.847 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588310 1002418350 /nfs/dbraw/zinc/41/83/50/1002418350.db2.gz OWFUWLMRXIVUTB-BHDDXSALSA-N 1 3 367.537 2.879 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001095525102 1016627420 /nfs/dbraw/zinc/62/74/20/1016627420.db2.gz BIJKXDNYLIAUAW-LRSLUSHPSA-N 1 3 369.553 2.929 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001095525102 1016627431 /nfs/dbraw/zinc/62/74/31/1016627431.db2.gz BIJKXDNYLIAUAW-LRSLUSHPSA-N 1 3 369.553 2.929 20 0 FFADHO C[C@H](c1ccccc1F)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203141 1002499391 /nfs/dbraw/zinc/49/93/91/1002499391.db2.gz FDBWWRKYVADGIN-LZJOCLMNSA-N 1 3 371.500 2.763 20 0 FFADHO Fc1cc(F)c2c(c1)C[C@@H](NC1CC[NH+](C[C@@H]3CCCO3)CC1)CO2 ZINC001184277642 1002558506 /nfs/dbraw/zinc/55/85/06/1002558506.db2.gz LCQPHKDYFYUGLC-SJORKVTESA-N 1 3 352.425 2.501 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4ccc(Cl)cc4)C[C@@]3(C)C2)C1 ZINC001092273865 1002578050 /nfs/dbraw/zinc/57/80/50/1002578050.db2.gz USLHKRCMORWOCP-HLIPFELVSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4ccc(Cl)cc4)C[C@@]3(C)C2)C1 ZINC001092273865 1002578058 /nfs/dbraw/zinc/57/80/58/1002578058.db2.gz USLHKRCMORWOCP-HLIPFELVSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)C[C@H]2C1 ZINC001184400880 1002590628 /nfs/dbraw/zinc/59/06/28/1002590628.db2.gz DKKOIZTYQRLVMX-KURKYZTESA-N 1 3 361.917 2.572 20 0 FFADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)C[C@H]2C1 ZINC001184400880 1002590638 /nfs/dbraw/zinc/59/06/38/1002590638.db2.gz DKKOIZTYQRLVMX-KURKYZTESA-N 1 3 361.917 2.572 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001092301764 1002632883 /nfs/dbraw/zinc/63/28/83/1002632883.db2.gz MQGUFEZKHXHWMA-HBFSDRIKSA-N 1 3 361.555 2.903 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001092301764 1002632887 /nfs/dbraw/zinc/63/28/87/1002632887.db2.gz MQGUFEZKHXHWMA-HBFSDRIKSA-N 1 3 361.555 2.903 20 0 FFADHO CC[C@H]1C[C@@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CCO1 ZINC001170215257 1003048273 /nfs/dbraw/zinc/04/82/73/1003048273.db2.gz ANKRVTAJMAMLNY-SFTDATJTSA-N 1 3 373.541 2.954 20 0 FFADHO Cc1cc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)n(C)n1 ZINC000793530826 1003426235 /nfs/dbraw/zinc/42/62/35/1003426235.db2.gz YPCHPPZXKKEHSC-IBGZPJMESA-N 1 3 355.530 2.982 20 0 FFADHO Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1F ZINC001001418780 1016791767 /nfs/dbraw/zinc/79/17/67/1016791767.db2.gz MFRFZFNEEVULIP-VQIMIIECSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1F ZINC001001418780 1016791780 /nfs/dbraw/zinc/79/17/80/1016791780.db2.gz MFRFZFNEEVULIP-VQIMIIECSA-N 1 3 361.505 2.803 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000678125039 1016803085 /nfs/dbraw/zinc/80/30/85/1016803085.db2.gz OIVKEBQDBKFNMO-UHFFFAOYSA-N 1 3 373.541 2.852 20 0 FFADHO Cn1nccc1C1(O)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001197459163 1004241355 /nfs/dbraw/zinc/24/13/55/1004241355.db2.gz MJPFRUOMVQYXPZ-UHFFFAOYSA-N 1 3 368.525 2.890 20 0 FFADHO Cn1cnc2cnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cc21 ZINC001170524922 1004595370 /nfs/dbraw/zinc/59/53/70/1004595370.db2.gz OUKLMMGKTLNHNJ-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001489116702 1005413283 /nfs/dbraw/zinc/41/32/83/1005413283.db2.gz INLKZDBMNWGYMN-ZCNNSNEGSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001489116702 1005413285 /nfs/dbraw/zinc/41/32/85/1005413285.db2.gz INLKZDBMNWGYMN-ZCNNSNEGSA-N 1 3 365.562 2.789 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc2F)CC1 ZINC000851630566 1005901508 /nfs/dbraw/zinc/90/15/08/1005901508.db2.gz OJZOIZUJTXTHMN-UHFFFAOYSA-N 1 3 374.504 2.956 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001097086335 1017013068 /nfs/dbraw/zinc/01/30/68/1017013068.db2.gz XRPXHNSZMOSEGO-MBDNFAEBSA-N 1 3 367.537 2.867 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001097086336 1017016082 /nfs/dbraw/zinc/01/60/82/1017016082.db2.gz XRPXHNSZMOSEGO-YSFYHYPLSA-N 1 3 367.537 2.867 20 0 FFADHO c1cc2c(ncnc2N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)[nH]1 ZINC001170717678 1006097404 /nfs/dbraw/zinc/09/74/04/1006097404.db2.gz FGNYCSQPHFUZNX-QAQDUYKDSA-N 1 3 354.502 2.709 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c(C)s1 ZINC001097102034 1017037822 /nfs/dbraw/zinc/03/78/22/1017037822.db2.gz KERYYXSLGOXXTN-PYJZQUQOSA-N 1 3 361.555 2.927 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c(C)s1 ZINC001097102034 1017037835 /nfs/dbraw/zinc/03/78/35/1017037835.db2.gz KERYYXSLGOXXTN-PYJZQUQOSA-N 1 3 361.555 2.927 20 0 FFADHO O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)[C@H]1CCCN1C1CC1 ZINC000816764381 1007194450 /nfs/dbraw/zinc/19/44/50/1007194450.db2.gz RNWORRKXLYJEKL-QGZVFWFLSA-N 1 3 354.454 2.989 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)cc1CN1CCCCC1 ZINC000817586215 1007658148 /nfs/dbraw/zinc/65/81/48/1007658148.db2.gz MFLHCTILYXUFGG-INIZCTEOSA-N 1 3 359.514 2.987 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2)C1=O ZINC000817928861 1007798999 /nfs/dbraw/zinc/79/89/99/1007798999.db2.gz GIPBVXYXSQJWDY-FQELHTAISA-N 1 3 370.497 2.519 20 0 FFADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817960515 1007826222 /nfs/dbraw/zinc/82/62/22/1007826222.db2.gz MIZPIESESDMSAX-WMZOPIPTSA-N 1 3 363.502 2.520 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001086820104 1007896907 /nfs/dbraw/zinc/89/69/07/1007896907.db2.gz PWRJBICUMGXZSJ-NLWGTHIKSA-N 1 3 358.530 2.719 20 0 FFADHO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000818955951 1007995012 /nfs/dbraw/zinc/99/50/12/1007995012.db2.gz GRNDAPCYZOPVAY-HSZRJFAPSA-N 1 3 367.537 2.874 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000819085440 1008030416 /nfs/dbraw/zinc/03/04/16/1008030416.db2.gz VAFUZRQZHLBWGL-RDTXWAMCSA-N 1 3 372.431 2.829 20 0 FFADHO CN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001136392611 1008385316 /nfs/dbraw/zinc/38/53/16/1008385316.db2.gz LMHPFNPBINBIMA-RTWAWAEBSA-N 1 3 351.494 2.580 20 0 FFADHO CN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001136392611 1008385321 /nfs/dbraw/zinc/38/53/21/1008385321.db2.gz LMHPFNPBINBIMA-RTWAWAEBSA-N 1 3 351.494 2.580 20 0 FFADHO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000885992235 1008515633 /nfs/dbraw/zinc/51/56/33/1008515633.db2.gz DBMGHDZBKIUCQT-LEWJYISDSA-N 1 3 373.541 2.950 20 0 FFADHO COc1cccc(COc2ccc(C[NH2+]CC3(O)CCN(C)CC3)cc2)c1 ZINC000885997364 1008515659 /nfs/dbraw/zinc/51/56/59/1008515659.db2.gz SKHVBIMWVNHLTL-UHFFFAOYSA-N 1 3 370.493 2.821 20 0 FFADHO Cc1cc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000822380063 1008590916 /nfs/dbraw/zinc/59/09/16/1008590916.db2.gz SPGKEJAYRITBLR-SFHVURJKSA-N 1 3 358.530 2.806 20 0 FFADHO Cc1cc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000822380063 1008590925 /nfs/dbraw/zinc/59/09/25/1008590925.db2.gz SPGKEJAYRITBLR-SFHVURJKSA-N 1 3 358.530 2.806 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886606928 1008768628 /nfs/dbraw/zinc/76/86/28/1008768628.db2.gz INWHBZQJDMDLPO-JRSUCEMESA-N 1 3 360.542 2.787 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886606928 1008768638 /nfs/dbraw/zinc/76/86/38/1008768638.db2.gz INWHBZQJDMDLPO-JRSUCEMESA-N 1 3 360.542 2.787 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886606928 1008768646 /nfs/dbraw/zinc/76/86/46/1008768646.db2.gz INWHBZQJDMDLPO-JRSUCEMESA-N 1 3 360.542 2.787 20 0 FFADHO CN(C)[C@@H]1CCC[N@H+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966121 1008842859 /nfs/dbraw/zinc/84/28/59/1008842859.db2.gz CZPNMFBZSKYACB-XLIONFOSSA-N 1 3 369.550 2.555 20 0 FFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966121 1008842875 /nfs/dbraw/zinc/84/28/75/1008842875.db2.gz CZPNMFBZSKYACB-XLIONFOSSA-N 1 3 369.550 2.555 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966121 1008842890 /nfs/dbraw/zinc/84/28/90/1008842890.db2.gz CZPNMFBZSKYACB-XLIONFOSSA-N 1 3 369.550 2.555 20 0 FFADHO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001180543966 1009740778 /nfs/dbraw/zinc/74/07/78/1009740778.db2.gz QVLDGDYFMQUMDF-UWVAXJGDSA-N 1 3 353.526 2.920 20 0 FFADHO Fc1cnccc1C[NH+]1CCC2(CC1)COCCN(Cc1cccnc1)C2 ZINC001206787482 1032426886 /nfs/dbraw/zinc/42/68/86/1032426886.db2.gz XQKXKXUSKHYDDY-UHFFFAOYSA-N 1 3 370.472 2.730 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001093226117 1010169972 /nfs/dbraw/zinc/16/99/72/1010169972.db2.gz VURVQFBGROXBOW-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001093226117 1010169980 /nfs/dbraw/zinc/16/99/80/1010169980.db2.gz VURVQFBGROXBOW-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1C ZINC001093226176 1010170449 /nfs/dbraw/zinc/17/04/49/1010170449.db2.gz XHZQOZPJUWYRCO-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1C ZINC001093226176 1010170460 /nfs/dbraw/zinc/17/04/60/1010170460.db2.gz XHZQOZPJUWYRCO-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)(C)c1cccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863547126 1010250202 /nfs/dbraw/zinc/25/02/02/1010250202.db2.gz IPFRYUGQRCXTSN-MOPGFXCFSA-N 1 3 357.498 2.741 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001181995010 1010334749 /nfs/dbraw/zinc/33/47/49/1010334749.db2.gz JPEXFXBWMVZFIZ-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001181995010 1010334763 /nfs/dbraw/zinc/33/47/63/1010334763.db2.gz JPEXFXBWMVZFIZ-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000794834663 1010768001 /nfs/dbraw/zinc/76/80/01/1010768001.db2.gz HZMFLDWPVHIZRJ-QBKZBJQZSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc4cc[nH]c4c3)[C@H](C)C2)C1 ZINC001094042486 1010805059 /nfs/dbraw/zinc/80/50/59/1010805059.db2.gz VCSXEBRBXJPDEA-SQGPQFPESA-N 1 3 368.525 2.694 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2 ZINC001094412347 1011095801 /nfs/dbraw/zinc/09/58/01/1011095801.db2.gz DLYNIAIVLSBRRJ-KCZVDYSFSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2 ZINC001094412347 1011095805 /nfs/dbraw/zinc/09/58/05/1011095805.db2.gz DLYNIAIVLSBRRJ-KCZVDYSFSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2 ZINC001094413410 1011098680 /nfs/dbraw/zinc/09/86/80/1011098680.db2.gz FFFHGRQIDATUAA-KCZVDYSFSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2 ZINC001094413410 1011098682 /nfs/dbraw/zinc/09/86/82/1011098682.db2.gz FFFHGRQIDATUAA-KCZVDYSFSA-N 1 3 370.541 2.815 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C/C=C\Cl)CC3)CC[N@@H+]1C ZINC001094497845 1011159621 /nfs/dbraw/zinc/15/96/21/1011159621.db2.gz OIOULKPBZURWRE-YWWVSQFZSA-N 1 3 353.938 2.830 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C/C=C\Cl)CC3)CC[N@H+]1C ZINC001094497845 1011159625 /nfs/dbraw/zinc/15/96/25/1011159625.db2.gz OIOULKPBZURWRE-YWWVSQFZSA-N 1 3 353.938 2.830 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110859770 1011253021 /nfs/dbraw/zinc/25/30/21/1011253021.db2.gz MPFHJDMMTILQKM-QRVBRYPASA-N 1 3 365.562 2.789 20 0 FFADHO C[NH+]1C(C)(C)CC(NCCc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC001171618766 1011403905 /nfs/dbraw/zinc/40/39/05/1011403905.db2.gz BRAPJIQYXDUMKM-UHFFFAOYSA-N 1 3 352.544 2.874 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN([C@H](C)CCc3ccc(C)cc3)CC[C@@H]2C1 ZINC001171669962 1011416700 /nfs/dbraw/zinc/41/67/00/1011416700.db2.gz CFDNVVWMVMSVNY-CEMLEFRQSA-N 1 3 360.542 2.985 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN([C@H](C)CCc3ccc(C)cc3)CC[C@@H]2C1 ZINC001171669962 1011416705 /nfs/dbraw/zinc/41/67/05/1011416705.db2.gz CFDNVVWMVMSVNY-CEMLEFRQSA-N 1 3 360.542 2.985 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001274396635 1011422155 /nfs/dbraw/zinc/42/21/55/1011422155.db2.gz IGUJBBVCLTWMGL-WIYYLYMNSA-N 1 3 358.530 2.560 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001274396635 1011422162 /nfs/dbraw/zinc/42/21/62/1011422162.db2.gz IGUJBBVCLTWMGL-WIYYLYMNSA-N 1 3 358.530 2.560 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)Cc1ccccc1 ZINC000645421490 1011478716 /nfs/dbraw/zinc/47/87/16/1011478716.db2.gz JZVWOIHIBDCKPG-RBBKRZOGSA-N 1 3 365.521 2.943 20 0 FFADHO COCCCN1CCC([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172254474 1011731563 /nfs/dbraw/zinc/73/15/63/1011731563.db2.gz NIYVWZNAYNNFLL-OYRHEFFESA-N 1 3 357.542 2.551 20 0 FFADHO COCCCN1CCC([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172254474 1011731569 /nfs/dbraw/zinc/73/15/69/1011731569.db2.gz NIYVWZNAYNNFLL-OYRHEFFESA-N 1 3 357.542 2.551 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000646230431 1011808317 /nfs/dbraw/zinc/80/83/17/1011808317.db2.gz UCTVAQFCFDQWMQ-UHFFFAOYSA-N 1 3 354.498 2.727 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000646254482 1011819317 /nfs/dbraw/zinc/81/93/17/1011819317.db2.gz URMQSIUUIOVKIH-GOSISDBHSA-N 1 3 373.447 2.742 20 0 FFADHO COC(=O)[C@H]1CCC[C@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001172620669 1011925771 /nfs/dbraw/zinc/92/57/71/1011925771.db2.gz YZLXMKRKJPGZDV-LWYYNNOASA-N 1 3 364.530 2.541 20 0 FFADHO COC(=O)[C@H]1CCC[C@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001172620669 1011925777 /nfs/dbraw/zinc/92/57/77/1011925777.db2.gz YZLXMKRKJPGZDV-LWYYNNOASA-N 1 3 364.530 2.541 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001221967476 1032591518 /nfs/dbraw/zinc/59/15/18/1032591518.db2.gz FYKGWDWLSAMZAN-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CC1 ZINC001172764834 1012001415 /nfs/dbraw/zinc/00/14/15/1012001415.db2.gz DAMCDDIXFDDHOZ-NQIIRXRSSA-N 1 3 373.541 2.646 20 0 FFADHO COc1cccc2c1C[C@@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CO2 ZINC001173149183 1012294665 /nfs/dbraw/zinc/29/46/65/1012294665.db2.gz AHZBUDBBKRSGTP-LJQANCHMSA-N 1 3 367.493 2.896 20 0 FFADHO COc1cccc2c1C[C@@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)CO2 ZINC001173152068 1012298098 /nfs/dbraw/zinc/29/80/98/1012298098.db2.gz ZJMMBFISQBGSNE-LJQANCHMSA-N 1 3 367.493 2.896 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H]3CC=CCC3)C2)C1=O ZINC001276358096 1012510423 /nfs/dbraw/zinc/51/04/23/1012510423.db2.gz AKIILWRJMYAUGW-PGRDOPGGSA-N 1 3 353.510 2.895 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](C[C@H]3CC=CCC3)C2)C1=O ZINC001276358096 1012510440 /nfs/dbraw/zinc/51/04/40/1012510440.db2.gz AKIILWRJMYAUGW-PGRDOPGGSA-N 1 3 353.510 2.895 20 0 FFADHO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647651368 1012556629 /nfs/dbraw/zinc/55/66/29/1012556629.db2.gz JNZJXBZBCXBBBB-AZUAARDMSA-N 1 3 361.505 2.980 20 0 FFADHO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647651368 1012556645 /nfs/dbraw/zinc/55/66/45/1012556645.db2.gz JNZJXBZBCXBBBB-AZUAARDMSA-N 1 3 361.505 2.980 20 0 FFADHO Fc1cc2c(cc1F)CC([NH2+]C1CCN(CC3CCOCC3)CC1)C2 ZINC001173476151 1012605972 /nfs/dbraw/zinc/60/59/72/1012605972.db2.gz RDALKAAQBMAAHW-UHFFFAOYSA-N 1 3 350.453 2.913 20 0 FFADHO Fc1cc2c(cc1F)CC(NC1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001173476151 1012605977 /nfs/dbraw/zinc/60/59/77/1012605977.db2.gz RDALKAAQBMAAHW-UHFFFAOYSA-N 1 3 350.453 2.913 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975679 1012651864 /nfs/dbraw/zinc/65/18/64/1012651864.db2.gz DMWMDTLFUIPRRC-OKZBNKHCSA-N 1 3 359.514 2.584 20 0 FFADHO COc1ccccc1N1CC[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000647977957 1012653064 /nfs/dbraw/zinc/65/30/64/1012653064.db2.gz KDWXDKRBPHUAPB-LMMKCTJWSA-N 1 3 357.498 2.512 20 0 FFADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978008 1012654851 /nfs/dbraw/zinc/65/48/51/1012654851.db2.gz KXSYQRPHBCAGKB-QUCCMNQESA-N 1 3 373.541 2.551 20 0 FFADHO CCCCOCCN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027001 1032665719 /nfs/dbraw/zinc/66/57/19/1032665719.db2.gz HLWHFZXCYRTVTR-WOJBJXKFSA-N 1 3 365.562 2.602 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001097177423 1017148894 /nfs/dbraw/zinc/14/88/94/1017148894.db2.gz RIFDSXPTAZRJNN-OQIJWPOYSA-N 1 3 361.555 2.887 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001097177423 1017148899 /nfs/dbraw/zinc/14/88/99/1017148899.db2.gz RIFDSXPTAZRJNN-OQIJWPOYSA-N 1 3 361.555 2.887 20 0 FFADHO Cc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)n1 ZINC000678590979 1017376227 /nfs/dbraw/zinc/37/62/27/1017376227.db2.gz DPHDZUFBDOJULH-INIZCTEOSA-N 1 3 354.498 2.841 20 0 FFADHO COC1(OC)CC[C@H]1[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000924615742 1017377367 /nfs/dbraw/zinc/37/73/67/1017377367.db2.gz YVMBVVBZIKZMBM-HXUWFJFHSA-N 1 3 361.530 2.638 20 0 FFADHO Cc1nc2c(o1)CCC[C@@H]2NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000924875885 1017527770 /nfs/dbraw/zinc/52/77/70/1017527770.db2.gz FJIIPSOERXCEIV-SFHVURJKSA-N 1 3 355.486 2.557 20 0 FFADHO CCn1cnnc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679721754 1017592488 /nfs/dbraw/zinc/59/24/88/1017592488.db2.gz REFANISBPGZXAP-XUVXKRRUSA-N 1 3 353.514 2.731 20 0 FFADHO C[C@@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679722530 1017594612 /nfs/dbraw/zinc/59/46/12/1017594612.db2.gz DJKWGMAZZITNES-JZXOWHBKSA-N 1 3 354.502 2.966 20 0 FFADHO C[C@@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679722530 1017594614 /nfs/dbraw/zinc/59/46/14/1017594614.db2.gz DJKWGMAZZITNES-JZXOWHBKSA-N 1 3 354.502 2.966 20 0 FFADHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925561399 1017787542 /nfs/dbraw/zinc/78/75/42/1017787542.db2.gz BKHXDRALVSGBNU-QILLFSRXSA-N 1 3 359.514 2.901 20 0 FFADHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925561398 1017787785 /nfs/dbraw/zinc/78/77/85/1017787785.db2.gz BKHXDRALVSGBNU-LESCRADOSA-N 1 3 359.514 2.901 20 0 FFADHO Cc1cc(N2CCC[C@H](N[C@@H](C)c3cccc(C[NH+](C)C)c3)C2=O)n(C)n1 ZINC000925894322 1017884799 /nfs/dbraw/zinc/88/47/99/1017884799.db2.gz XGPREVZESFBTHD-LPHOPBHVSA-N 1 3 369.513 2.636 20 0 FFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926334922 1018089324 /nfs/dbraw/zinc/08/93/24/1018089324.db2.gz WCACGJMIERLJSL-CSNJMZFVSA-N 1 3 369.550 2.863 20 0 FFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926334922 1018089335 /nfs/dbraw/zinc/08/93/35/1018089335.db2.gz WCACGJMIERLJSL-CSNJMZFVSA-N 1 3 369.550 2.863 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)ccc1OC ZINC000927152902 1018382978 /nfs/dbraw/zinc/38/29/78/1018382978.db2.gz WKVSDKZHGBFBIF-MAUKXSAKSA-N 1 3 371.529 2.874 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)CC1 ZINC001110956264 1019220822 /nfs/dbraw/zinc/22/08/22/1019220822.db2.gz ABOBGQBTRDGGFD-RLLQIKCJSA-N 1 3 371.525 2.519 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c(C)c1 ZINC001110956474 1019223656 /nfs/dbraw/zinc/22/36/56/1019223656.db2.gz KNBMZNCZNPQFNS-AQNXPRMDSA-N 1 3 355.526 2.867 20 0 FFADHO CCc1ccc(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1 ZINC001110956679 1019226991 /nfs/dbraw/zinc/22/69/91/1019226991.db2.gz UPWKHJQYAYLSHV-NJYVYQBISA-N 1 3 369.553 2.855 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C/C=C/c2ccccc2)C3)CC[N@@H+]1C ZINC001072752184 1020300954 /nfs/dbraw/zinc/30/09/54/1020300954.db2.gz YERSJRKLNPYJHV-NTFMERETSA-N 1 3 353.510 2.574 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C/C=C/c2ccccc2)C3)CC[N@H+]1C ZINC001072752184 1020300962 /nfs/dbraw/zinc/30/09/62/1020300962.db2.gz YERSJRKLNPYJHV-NTFMERETSA-N 1 3 353.510 2.574 20 0 FFADHO C[NH+](C)CCC[C@H]1CN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC000931075009 1020308439 /nfs/dbraw/zinc/30/84/39/1020308439.db2.gz GXPXMWMNFUODEX-SQNIBIBYSA-N 1 3 369.550 2.722 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000725898853 1020367193 /nfs/dbraw/zinc/36/71/93/1020367193.db2.gz YGLVOEPEESZOLX-VQTJNVASSA-N 1 3 359.514 2.512 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000725898853 1020367204 /nfs/dbraw/zinc/36/72/04/1020367204.db2.gz YGLVOEPEESZOLX-VQTJNVASSA-N 1 3 359.514 2.512 20 0 FFADHO C[NH+](C)CC1(O)CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000931485402 1020486179 /nfs/dbraw/zinc/48/61/79/1020486179.db2.gz GRBRBIDSCYHKRN-UHFFFAOYSA-N 1 3 355.482 2.549 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001046330585 1020595062 /nfs/dbraw/zinc/59/50/62/1020595062.db2.gz NMXJJUFPISUIOX-DWLFOUALSA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001046330585 1020595067 /nfs/dbraw/zinc/59/50/67/1020595067.db2.gz NMXJJUFPISUIOX-DWLFOUALSA-N 1 3 368.525 2.979 20 0 FFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CCC4(CC3)OCCO4)CC2)C1 ZINC000903374519 1020812125 /nfs/dbraw/zinc/81/21/25/1020812125.db2.gz KLNKEEDTVGCXTR-HKUYNNGSSA-N 1 3 366.546 2.667 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4nccnc43)CC2)CC1 ZINC000829001173 1032937336 /nfs/dbraw/zinc/93/73/36/1032937336.db2.gz XUZAFTTUHBMTKO-UHFFFAOYSA-N 1 3 367.497 2.765 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cccc(F)c2)C3)CC[N@@H+]1C ZINC001098845333 1021231193 /nfs/dbraw/zinc/23/11/93/1021231193.db2.gz SSSUPIVTCGMHMN-GRVMKYMCSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cccc(F)c2)C3)CC[N@H+]1C ZINC001098845333 1021231202 /nfs/dbraw/zinc/23/12/02/1021231202.db2.gz SSSUPIVTCGMHMN-GRVMKYMCSA-N 1 3 359.489 2.637 20 0 FFADHO CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@@H]3CN4C[C@H]3NCC4)c2C1 ZINC001218109743 1033001361 /nfs/dbraw/zinc/00/13/61/1033001361.db2.gz DWVKMCYZQOCHGE-CZTZKLFOSA-N 1 3 357.542 2.701 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C/C=C/c2ccccc2)C3)C1 ZINC001099159949 1021966814 /nfs/dbraw/zinc/96/68/14/1021966814.db2.gz MMCKBJDKWRCNOQ-ZHGZNUGGSA-N 1 3 353.510 2.622 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C/C=C/c2ccccc2)C3)C1 ZINC001099159949 1021966822 /nfs/dbraw/zinc/96/68/22/1021966822.db2.gz MMCKBJDKWRCNOQ-ZHGZNUGGSA-N 1 3 353.510 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(Cc2cccnc2C)CC3)CC[N@@H+]1C ZINC001016631356 1022061873 /nfs/dbraw/zinc/06/18/73/1022061873.db2.gz RJMJCDRKGNBJAY-XUVXKRRUSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(Cc2cccnc2C)CC3)CC[N@H+]1C ZINC001016631356 1022061888 /nfs/dbraw/zinc/06/18/88/1022061888.db2.gz RJMJCDRKGNBJAY-XUVXKRRUSA-N 1 3 370.541 2.591 20 0 FFADHO [NH3+]C1CCN(c2ccc(-c3noc(C45CCCN4CCC5)n3)cc2)CC1 ZINC001118181363 1022105262 /nfs/dbraw/zinc/10/52/62/1022105262.db2.gz VOGKPYACFXPTQU-UHFFFAOYSA-N 1 3 353.470 2.749 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001099269246 1022198890 /nfs/dbraw/zinc/19/88/90/1022198890.db2.gz FFYVNLIZRFERCJ-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2=CCCCC2)C1)N(C)C ZINC001099307081 1022266918 /nfs/dbraw/zinc/26/69/18/1022266918.db2.gz CCXYQOLIQOMQHF-OAGGEKHMSA-N 1 3 361.452 2.806 20 0 FFADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017979305 1022327804 /nfs/dbraw/zinc/32/78/04/1022327804.db2.gz WZOOYOGSGKGHKE-MHTWAQMVSA-N 1 3 355.526 2.807 20 0 FFADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001017979305 1022327819 /nfs/dbraw/zinc/32/78/19/1022327819.db2.gz WZOOYOGSGKGHKE-MHTWAQMVSA-N 1 3 355.526 2.807 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](CC(C)(C)C)C2)C1=O ZINC001276374554 1022561925 /nfs/dbraw/zinc/56/19/25/1022561925.db2.gz QUZNWBVGXPQUBZ-SIKLNZKXSA-N 1 3 357.542 2.912 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](CC(C)(C)C)C2)C1=O ZINC001276374554 1022561935 /nfs/dbraw/zinc/56/19/35/1022561935.db2.gz QUZNWBVGXPQUBZ-SIKLNZKXSA-N 1 3 357.542 2.912 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCc2cccc(C)c2)CC[N@@H+]1C ZINC001038269869 1022643054 /nfs/dbraw/zinc/64/30/54/1022643054.db2.gz SNMGGFIBQOVLCJ-QHAWAJNXSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCc2cccc(C)c2)CC[N@H+]1C ZINC001038269869 1022643063 /nfs/dbraw/zinc/64/30/63/1022643063.db2.gz SNMGGFIBQOVLCJ-QHAWAJNXSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)c1ccccc1 ZINC001099507362 1022649063 /nfs/dbraw/zinc/64/90/63/1022649063.db2.gz GKTVSMDQFSTEJN-MMOPVJDHSA-N 1 3 352.482 2.932 20 0 FFADHO CN1CCC(NC(=S)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000751036207 1022748272 /nfs/dbraw/zinc/74/82/72/1022748272.db2.gz VLGHOQOAYRPZOR-UHFFFAOYSA-N 1 3 374.598 2.596 20 0 FFADHO CN1CCC(NC(=S)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000751036207 1022748287 /nfs/dbraw/zinc/74/82/87/1022748287.db2.gz VLGHOQOAYRPZOR-UHFFFAOYSA-N 1 3 374.598 2.596 20 0 FFADHO CCC(CC)(CNC(=O)c1[nH]nc2c1CNCC2)[NH2+][C@H](C)c1ccccc1 ZINC000188770172 1023136173 /nfs/dbraw/zinc/13/61/73/1023136173.db2.gz JSUGPEOZBSJHHH-OAHLLOKOSA-N 1 3 369.513 2.695 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001120356596 1023313248 /nfs/dbraw/zinc/31/32/48/1023313248.db2.gz KGBHWYPDVVJBBT-ZDUSSCGKSA-N 1 3 357.420 2.803 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1O2 ZINC001120482127 1023337375 /nfs/dbraw/zinc/33/73/75/1023337375.db2.gz WPLNEVXWAFDBBO-UKRRQHHQSA-N 1 3 358.404 2.878 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1O2 ZINC001120482125 1023337495 /nfs/dbraw/zinc/33/74/95/1023337495.db2.gz WPLNEVXWAFDBBO-DZGCQCFKSA-N 1 3 358.404 2.878 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC001120508441 1023344085 /nfs/dbraw/zinc/34/40/85/1023344085.db2.gz PRYWPRNATVZXJS-BLLLJJGKSA-N 1 3 359.283 2.943 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2c3ccccc3CCN2CCC2CC2)CC[N@@H+]1C ZINC000948923949 1023414473 /nfs/dbraw/zinc/41/44/73/1023414473.db2.gz YEHGIEUBRCMWDD-OZOXKJRCSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2c3ccccc3CCN2CCC2CC2)CC[N@H+]1C ZINC000948923949 1023414474 /nfs/dbraw/zinc/41/44/74/1023414474.db2.gz YEHGIEUBRCMWDD-OZOXKJRCSA-N 1 3 355.526 2.842 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000754186463 1023436722 /nfs/dbraw/zinc/43/67/22/1023436722.db2.gz PGURPBSUXDZZIA-ZWKOTPCHSA-N 1 3 369.550 2.506 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)cc21 ZINC001121989700 1024242640 /nfs/dbraw/zinc/24/26/40/1024242640.db2.gz XGSRNNXZJXRBNL-SFHVURJKSA-N 1 3 367.497 2.957 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080506322 1024635718 /nfs/dbraw/zinc/63/57/18/1024635718.db2.gz YJEVLUJVWGBJRY-SEJPIABJSA-N 1 3 372.557 2.818 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080506322 1024635727 /nfs/dbraw/zinc/63/57/27/1024635727.db2.gz YJEVLUJVWGBJRY-SEJPIABJSA-N 1 3 372.557 2.818 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101400317 1024637402 /nfs/dbraw/zinc/63/74/02/1024637402.db2.gz QOBZVLUCYDMMGN-LMMKCTJWSA-N 1 3 371.516 2.934 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101400317 1024637410 /nfs/dbraw/zinc/63/74/10/1024637410.db2.gz QOBZVLUCYDMMGN-LMMKCTJWSA-N 1 3 371.516 2.934 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1 ZINC001101437945 1024741963 /nfs/dbraw/zinc/74/19/63/1024741963.db2.gz XNVXBDDGFGSPGC-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1)N1CCCC1 ZINC001095863641 1025125543 /nfs/dbraw/zinc/12/55/43/1025125543.db2.gz YLBGLOWZWJSNPD-PMPSAXMXSA-N 1 3 355.473 2.628 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1)N1CCCC1 ZINC001095863641 1025125547 /nfs/dbraw/zinc/12/55/47/1025125547.db2.gz YLBGLOWZWJSNPD-PMPSAXMXSA-N 1 3 355.473 2.628 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCCCO1)N1CCCC1 ZINC001095863404 1025125566 /nfs/dbraw/zinc/12/55/66/1025125566.db2.gz MKJIXKHSVGZTQF-YRXWBPOGSA-N 1 3 363.546 2.542 20 0 FFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCCCO1)N1CCCC1 ZINC001095863404 1025125571 /nfs/dbraw/zinc/12/55/71/1025125571.db2.gz MKJIXKHSVGZTQF-YRXWBPOGSA-N 1 3 363.546 2.542 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047358 1025353697 /nfs/dbraw/zinc/35/36/97/1025353697.db2.gz DHODGHDUBPLHAT-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047358 1025353713 /nfs/dbraw/zinc/35/37/13/1025353713.db2.gz DHODGHDUBPLHAT-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048781 1025358070 /nfs/dbraw/zinc/35/80/70/1025358070.db2.gz OPPCIEIJIOATDX-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048781 1025358075 /nfs/dbraw/zinc/35/80/75/1025358075.db2.gz OPPCIEIJIOATDX-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)[C@H](C)C2)sn1 ZINC001102062003 1025381634 /nfs/dbraw/zinc/38/16/34/1025381634.db2.gz QSWFCBORQIKLEN-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)[C@H](C)C2)sn1 ZINC001102062003 1025381646 /nfs/dbraw/zinc/38/16/46/1025381646.db2.gz QSWFCBORQIKLEN-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1C)N(C)C ZINC001102070327 1025388442 /nfs/dbraw/zinc/38/84/42/1025388442.db2.gz GELSZYYQDQGUQI-VPJJLBIOSA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1C)N(C)C ZINC001102070327 1025388455 /nfs/dbraw/zinc/38/84/55/1025388455.db2.gz GELSZYYQDQGUQI-VPJJLBIOSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1C)N(C)C ZINC001102088517 1025412164 /nfs/dbraw/zinc/41/21/64/1025412164.db2.gz YRJIFTYDVBEJMX-SPYBWZPUSA-N 1 3 367.484 2.532 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1C)N(C)C ZINC001102088517 1025412170 /nfs/dbraw/zinc/41/21/70/1025412170.db2.gz YRJIFTYDVBEJMX-SPYBWZPUSA-N 1 3 367.484 2.532 20 0 FFADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213558 1025595274 /nfs/dbraw/zinc/59/52/74/1025595274.db2.gz KQRFROYAMAMMCO-IAGOWNOFSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213558 1025595280 /nfs/dbraw/zinc/59/52/80/1025595280.db2.gz KQRFROYAMAMMCO-IAGOWNOFSA-N 1 3 363.571 2.849 20 0 FFADHO COc1cccc([C@@H](CNC(=O)c2oc(CN)cc2C)[NH+]2CCCC2)c1 ZINC000638051825 1025680829 /nfs/dbraw/zinc/68/08/29/1025680829.db2.gz SDLLEUZDZFYUBK-GOSISDBHSA-N 1 3 357.454 2.622 20 0 FFADHO CN1CCN(C(C)(C)C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638349763 1025796864 /nfs/dbraw/zinc/79/68/64/1025796864.db2.gz VAIXAHREWOTZSY-UNMCSNQZSA-N 1 3 370.585 2.970 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366940 1025821271 /nfs/dbraw/zinc/82/12/71/1025821271.db2.gz VWBAADIFLLNKGT-IFNYERTRSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366940 1025821280 /nfs/dbraw/zinc/82/12/80/1025821280.db2.gz VWBAADIFLLNKGT-IFNYERTRSA-N 1 3 355.526 2.868 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369705 1025823581 /nfs/dbraw/zinc/82/35/81/1025823581.db2.gz DJRRKFZIPICQNM-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369705 1025823602 /nfs/dbraw/zinc/82/36/02/1025823602.db2.gz DJRRKFZIPICQNM-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369618 1025825943 /nfs/dbraw/zinc/82/59/43/1025825943.db2.gz AEJQFZOVWXJLBO-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369618 1025825960 /nfs/dbraw/zinc/82/59/60/1025825960.db2.gz AEJQFZOVWXJLBO-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638718302 1025946572 /nfs/dbraw/zinc/94/65/72/1025946572.db2.gz KRYDRXYOUKBKDI-NQIIRXRSSA-N 1 3 359.558 2.722 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CN(Cc2ocnc2C)C[C@H]1C)C(C)C ZINC001102472209 1026038225 /nfs/dbraw/zinc/03/82/25/1026038225.db2.gz OOLUOOTWAMRNNT-SZVBFZGTSA-N 1 3 364.534 2.534 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1C ZINC001102475644 1026055336 /nfs/dbraw/zinc/05/53/36/1026055336.db2.gz XWWPTQIAVRFQAS-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1C ZINC001102475644 1026055347 /nfs/dbraw/zinc/05/53/47/1026055347.db2.gz XWWPTQIAVRFQAS-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001102475462 1026056036 /nfs/dbraw/zinc/05/60/36/1026056036.db2.gz PREMGWUEYJYBPG-ZHALLVOQSA-N 1 3 361.530 2.782 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001102475462 1026056050 /nfs/dbraw/zinc/05/60/50/1026056050.db2.gz PREMGWUEYJYBPG-ZHALLVOQSA-N 1 3 361.530 2.782 20 0 FFADHO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)c2ccccc21 ZINC000639067632 1026153599 /nfs/dbraw/zinc/15/35/99/1026153599.db2.gz JYEXYKFUBUITAZ-OALUTQOASA-N 1 3 364.493 2.773 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC001102524977 1026217205 /nfs/dbraw/zinc/21/72/05/1026217205.db2.gz GRSKMMQNYLKUME-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC001102524977 1026217208 /nfs/dbraw/zinc/21/72/08/1026217208.db2.gz GRSKMMQNYLKUME-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102525593 1026220033 /nfs/dbraw/zinc/22/00/33/1026220033.db2.gz KJFARINPMGAJRU-QINHECLXSA-N 1 3 361.505 2.839 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102525593 1026220047 /nfs/dbraw/zinc/22/00/47/1026220047.db2.gz KJFARINPMGAJRU-QINHECLXSA-N 1 3 361.505 2.839 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001102531694 1026244952 /nfs/dbraw/zinc/24/49/52/1026244952.db2.gz AHIVAGDWSDMHFN-FVQBIDKESA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001102531694 1026244966 /nfs/dbraw/zinc/24/49/66/1026244966.db2.gz AHIVAGDWSDMHFN-FVQBIDKESA-N 1 3 368.472 2.770 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000639341856 1026283787 /nfs/dbraw/zinc/28/37/87/1026283787.db2.gz SPGGVNAMHQUABA-NRFANRHFSA-N 1 3 355.482 2.813 20 0 FFADHO C[C@@H](O)[C@H]1CCCN(C[C@H](C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544156 1026360045 /nfs/dbraw/zinc/36/00/45/1026360045.db2.gz VDVRXHIERCYWRW-MEHCZGIPSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H](O)[C@H]1CCCN(C[C@H](C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544156 1026360049 /nfs/dbraw/zinc/36/00/49/1026360049.db2.gz VDVRXHIERCYWRW-MEHCZGIPSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H](O)[C@H]1CCC[N@@H+](C[C@H](CN2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544156 1026360060 /nfs/dbraw/zinc/36/00/60/1026360060.db2.gz VDVRXHIERCYWRW-MEHCZGIPSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H](O)[C@H]1CCC[N@H+](C[C@H](CN2CCC[C@@H]([C@H](C)O)C2)c2ccccc2)C1 ZINC000639544156 1026360065 /nfs/dbraw/zinc/36/00/65/1026360065.db2.gz VDVRXHIERCYWRW-MEHCZGIPSA-N 1 3 374.569 2.956 20 0 FFADHO O[C@]1(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639542928 1026360935 /nfs/dbraw/zinc/36/09/35/1026360935.db2.gz ABAJZXQLLQCWIS-PMVMPFDFSA-N 1 3 369.553 2.572 20 0 FFADHO O[C@]1(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639542928 1026360946 /nfs/dbraw/zinc/36/09/46/1026360946.db2.gz ABAJZXQLLQCWIS-PMVMPFDFSA-N 1 3 369.553 2.572 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc4c3CCOC4)CC2)CC1 ZINC000639583709 1026383747 /nfs/dbraw/zinc/38/37/47/1026383747.db2.gz PPUQWMNDGQPZPX-UHFFFAOYSA-N 1 3 357.542 2.609 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102600974 1026400442 /nfs/dbraw/zinc/40/04/42/1026400442.db2.gz FSGODVWSRRGUEM-DYESRHJHSA-N 1 3 357.542 2.700 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102600974 1026400447 /nfs/dbraw/zinc/40/04/47/1026400447.db2.gz FSGODVWSRRGUEM-DYESRHJHSA-N 1 3 357.542 2.700 20 0 FFADHO C[C@@]12COC[C@H]1CN(C[C@H](C[N@@H+]1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824631 1026486887 /nfs/dbraw/zinc/48/68/87/1026486887.db2.gz MRDHXWXADNIROP-HPCSZIQYSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@]12COC[C@H]1CN(C[C@H](C[N@H+]1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824631 1026486891 /nfs/dbraw/zinc/48/68/91/1026486891.db2.gz MRDHXWXADNIROP-HPCSZIQYSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@]12COC[C@H]1C[N@@H+](C[C@H](CN1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824631 1026486900 /nfs/dbraw/zinc/48/69/00/1026486900.db2.gz MRDHXWXADNIROP-HPCSZIQYSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@]12COC[C@H]1C[N@H+](C[C@H](CN1C[C@H]3COC[C@]3(C)C1)c1ccccc1)C2 ZINC000639824631 1026486904 /nfs/dbraw/zinc/48/69/04/1026486904.db2.gz MRDHXWXADNIROP-HPCSZIQYSA-N 1 3 370.537 2.707 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103086421 1026946271 /nfs/dbraw/zinc/94/62/71/1026946271.db2.gz BEBPCQNAEHYVBL-XFQXTVEOSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103086421 1026946272 /nfs/dbraw/zinc/94/62/72/1026946272.db2.gz BEBPCQNAEHYVBL-XFQXTVEOSA-N 1 3 361.505 2.740 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1C ZINC001103156644 1027010790 /nfs/dbraw/zinc/01/07/90/1027010790.db2.gz PBXXMWFONXQHRI-NVXWUHKLSA-N 1 3 364.509 2.525 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1C ZINC001103156644 1027010793 /nfs/dbraw/zinc/01/07/93/1027010793.db2.gz PBXXMWFONXQHRI-NVXWUHKLSA-N 1 3 364.509 2.525 20 0 FFADHO CN1CCC(N(c2ccc3c(Cl)ccnc3n2)C2CC[NH2+]CC2)CC1 ZINC001158581414 1027066468 /nfs/dbraw/zinc/06/64/68/1027066468.db2.gz RTNCTJUMWMFWTL-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000641806545 1027313154 /nfs/dbraw/zinc/31/31/54/1027313154.db2.gz PZVGWPZELRUYRU-DLBZAZTESA-N 1 3 355.486 2.533 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001103550264 1027665010 /nfs/dbraw/zinc/66/50/10/1027665010.db2.gz HYQTYKDITVNLBO-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001103550264 1027665018 /nfs/dbraw/zinc/66/50/18/1027665018.db2.gz HYQTYKDITVNLBO-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO [NH3+]C[C@]1(Nc2nccc3c2ccn3Cc2ccccc2)CN2CCC1CC2 ZINC001160513002 1027730978 /nfs/dbraw/zinc/73/09/78/1027730978.db2.gz IATBWSVJIJEUKE-QFIPXVFZSA-N 1 3 361.493 2.920 20 0 FFADHO CC[NH+]1CCC(N(C)C(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001160538065 1027743300 /nfs/dbraw/zinc/74/33/00/1027743300.db2.gz SMJZUAFHJBYSKD-MRXNPFEDSA-N 1 3 357.420 2.518 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCCCOC)C[C@H]1C ZINC001103757382 1028148404 /nfs/dbraw/zinc/14/84/04/1028148404.db2.gz YSFKZZLUPZKABK-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1C ZINC001103757382 1028148413 /nfs/dbraw/zinc/14/84/13/1028148413.db2.gz YSFKZZLUPZKABK-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO COc1ccc(C(C)(C)CC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161444877 1028177027 /nfs/dbraw/zinc/17/70/27/1028177027.db2.gz LQLRRZXBTICIDP-GOSISDBHSA-N 1 3 361.530 2.505 20 0 FFADHO COc1ccc2cccc(CC(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001161444312 1028177700 /nfs/dbraw/zinc/17/77/00/1028177700.db2.gz GCTNHLCYWVTYKU-LJQANCHMSA-N 1 3 369.509 2.533 20 0 FFADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccccc1F ZINC000644513627 1028513979 /nfs/dbraw/zinc/51/39/79/1028513979.db2.gz FXXAURXPTGDOCJ-LJQANCHMSA-N 1 3 358.457 2.951 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@H]1CCCN(c2ccccc2F)C1 ZINC000644610759 1028581474 /nfs/dbraw/zinc/58/14/74/1028581474.db2.gz QHYZLOWNWJCDEJ-PMACEKPBSA-N 1 3 371.500 2.877 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@H]1CCCN(c2ccccc2F)C1 ZINC000644610759 1028581489 /nfs/dbraw/zinc/58/14/89/1028581489.db2.gz QHYZLOWNWJCDEJ-PMACEKPBSA-N 1 3 371.500 2.877 20 0 FFADHO CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1N[C@H]1CNCc2ccsc21 ZINC001163220163 1028845456 /nfs/dbraw/zinc/84/54/56/1028845456.db2.gz BAYSHHHUWAPMTE-AWEZNQCLSA-N 1 3 359.499 2.843 20 0 FFADHO CC(C)[NH+]1CCN(Cc2ccc(N[C@H]3CN4CCC3CC4)c(F)c2)CC1 ZINC001163394263 1028915626 /nfs/dbraw/zinc/91/56/26/1028915626.db2.gz DGBCGLPGMZJPKC-NRFANRHFSA-N 1 3 360.521 2.858 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)cc2)CC1 ZINC000781396759 1029190142 /nfs/dbraw/zinc/19/01/42/1029190142.db2.gz SOYCNPBJWFNOIU-KRWDZBQOSA-N 1 3 371.529 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000781396759 1029190151 /nfs/dbraw/zinc/19/01/51/1029190151.db2.gz SOYCNPBJWFNOIU-KRWDZBQOSA-N 1 3 371.529 2.600 20 0 FFADHO N[C@@H]1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1(F)F ZINC001165129349 1029411127 /nfs/dbraw/zinc/41/11/27/1029411127.db2.gz KJNOLKLQQJHVLX-GOSISDBHSA-N 1 3 358.436 2.813 20 0 FFADHO N[C@@H]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1(F)F ZINC001165129349 1029411133 /nfs/dbraw/zinc/41/11/33/1029411133.db2.gz KJNOLKLQQJHVLX-GOSISDBHSA-N 1 3 358.436 2.813 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001111855857 1029626684 /nfs/dbraw/zinc/62/66/84/1029626684.db2.gz PIRZJMGIWKRQIX-AVRDEDQJSA-N 1 3 371.525 2.508 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(C(=O)OC(C)(C)C)cn3)CC2)CC1 ZINC001157838384 1029672774 /nfs/dbraw/zinc/67/27/74/1029672774.db2.gz WKDYUELLXGJHFJ-UHFFFAOYSA-N 1 3 374.529 2.501 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cc(Cl)nc4ncccc34)CC2)CC1 ZINC001157837824 1029673012 /nfs/dbraw/zinc/67/30/12/1029673012.db2.gz ILMJLNUDWZQEPO-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO O=C(c1cc2c(s1)CNCC2)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158261618 1029776194 /nfs/dbraw/zinc/77/61/94/1029776194.db2.gz NQXYKQZSRSQMRV-CQSZACIVSA-N 1 3 373.444 2.683 20 0 FFADHO Cc1nc2c3ccccc3oc2c(N2CCC([N@@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158261318 1029776613 /nfs/dbraw/zinc/77/66/13/1029776613.db2.gz LXPVISKMJFAJGR-CQSZACIVSA-N 1 3 351.454 2.686 20 0 FFADHO Cc1nc2c3ccccc3oc2c(N2CCC([N@H+]3CC[C@@H](N)C3)CC2)n1 ZINC001158261318 1029776616 /nfs/dbraw/zinc/77/66/16/1029776616.db2.gz LXPVISKMJFAJGR-CQSZACIVSA-N 1 3 351.454 2.686 20 0 FFADHO O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421450 1029825568 /nfs/dbraw/zinc/82/55/68/1029825568.db2.gz DVIXKJLIHQCJRQ-RTWAWAEBSA-N 1 3 361.489 2.671 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166270 1030131285 /nfs/dbraw/zinc/13/12/85/1030131285.db2.gz MBPCJPURNVXSIY-JWQHCSQXSA-N 1 3 361.452 2.663 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001112197368 1030213649 /nfs/dbraw/zinc/21/36/49/1030213649.db2.gz NUYMKGKKDCEJKH-IAGOWNOFSA-N 1 3 371.447 2.550 20 0 FFADHO CC(=O)Nc1ccc2c(CN3CCC([C@H]4CCC[NH2+]4)CC3)cc(=O)oc2c1 ZINC000842472305 1030747406 /nfs/dbraw/zinc/74/74/06/1030747406.db2.gz CLFBKLYGWPDIEA-LJQANCHMSA-N 1 3 369.465 2.715 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001142848218 1030952480 /nfs/dbraw/zinc/95/24/80/1030952480.db2.gz CZFSWCIMLOFCAV-IAGOWNOFSA-N 1 3 367.484 2.975 20 0 FFADHO CN1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)O2)CC1 ZINC001203915202 1030976877 /nfs/dbraw/zinc/97/68/77/1030976877.db2.gz WCCBCEONZVOADV-NHCUHLMSSA-N 1 3 361.505 2.587 20 0 FFADHO CN1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)O2)CC1 ZINC001203915202 1030976887 /nfs/dbraw/zinc/97/68/87/1030976887.db2.gz WCCBCEONZVOADV-NHCUHLMSSA-N 1 3 361.505 2.587 20 0 FFADHO CC(=O)Nc1ccc(CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001203924685 1030983214 /nfs/dbraw/zinc/98/32/14/1030983214.db2.gz QIOYTWSMEONZEO-RTBURBONSA-N 1 3 350.466 2.604 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCCCCC[NH3+])c(C)c2)CC1 ZINC000843039767 1031153004 /nfs/dbraw/zinc/15/30/04/1031153004.db2.gz QJBUBEBVIPWFOH-UHFFFAOYSA-N 1 3 361.534 2.778 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC001204268368 1031196981 /nfs/dbraw/zinc/19/69/81/1031196981.db2.gz ITIUUYKLGWNPES-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(N)n1 ZINC001143201670 1031307123 /nfs/dbraw/zinc/30/71/23/1031307123.db2.gz WXFFWBNNDJRTPB-UHFFFAOYSA-N 1 3 351.498 2.855 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(N)n1 ZINC001143201670 1031307140 /nfs/dbraw/zinc/30/71/40/1031307140.db2.gz WXFFWBNNDJRTPB-UHFFFAOYSA-N 1 3 351.498 2.855 20 0 FFADHO CCOC(=O)Nc1ccc2c(CN3CCC([C@@H](C)[NH3+])CC3)cc(=O)oc2c1 ZINC000843348714 1031340437 /nfs/dbraw/zinc/34/04/37/1031340437.db2.gz NSWJENVCNXJMBZ-CYBMUJFWSA-N 1 3 373.453 2.921 20 0 FFADHO [NH3+]C[C@@]1(O)CCCN(Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC001205221660 1031606561 /nfs/dbraw/zinc/60/65/61/1031606561.db2.gz VMYKUSURGSPUBY-MRXNPFEDSA-N 1 3 352.276 2.606 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCCF)C1)N(C)C ZINC001205292441 1031653642 /nfs/dbraw/zinc/65/36/42/1031653642.db2.gz CAOWKZCNLGDAPZ-IPMKNSEASA-N 1 3 367.484 2.800 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001205678646 1031928155 /nfs/dbraw/zinc/92/81/55/1031928155.db2.gz NJWJHOJCYGFEFA-VDZJLULYSA-N 1 3 367.484 2.800 20 0 FFADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc3cc(Br)cnc3c2)C1 ZINC001205726278 1031955823 /nfs/dbraw/zinc/95/58/23/1031955823.db2.gz SGGBHBMZYYNEGP-KRWDZBQOSA-N 1 3 364.287 2.673 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCC3CCCCCC3)C[C@@H]21 ZINC001218918273 1033409708 /nfs/dbraw/zinc/40/97/08/1033409708.db2.gz DTGXDEGDYIVNEM-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCC3CCCCCC3)C[C@@H]21 ZINC001218918273 1033409715 /nfs/dbraw/zinc/40/97/15/1033409715.db2.gz DTGXDEGDYIVNEM-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223402572 1033429576 /nfs/dbraw/zinc/42/95/76/1033429576.db2.gz ODFFTEYUTBRJKB-HSALFYBXSA-N 1 3 356.514 2.529 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223402572 1033429587 /nfs/dbraw/zinc/42/95/87/1033429587.db2.gz ODFFTEYUTBRJKB-HSALFYBXSA-N 1 3 356.514 2.529 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CCO[C@@H]2CN(CCC3=CCCCC3)C[C@@H]21 ZINC001219001129 1033451803 /nfs/dbraw/zinc/45/18/03/1033451803.db2.gz OWTLCQPHDQWFNE-VQTJNVASSA-N 1 3 363.546 2.520 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCCCOC)[C@H]2C1)N(CC)CC ZINC001223489361 1033467879 /nfs/dbraw/zinc/46/78/79/1033467879.db2.gz NOTNHJUZQIJKBY-AABGKKOBSA-N 1 3 367.578 2.846 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCCCOC)[C@H]2C1)N(CC)CC ZINC001223489361 1033467882 /nfs/dbraw/zinc/46/78/82/1033467882.db2.gz NOTNHJUZQIJKBY-AABGKKOBSA-N 1 3 367.578 2.846 20 0 FFADHO N[C@@H](CC(F)F)C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001219486867 1033666738 /nfs/dbraw/zinc/66/67/38/1033666738.db2.gz UFMBUPRHAUKOLA-IRXDYDNUSA-N 1 3 351.441 2.951 20 0 FFADHO N[C@H](CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC001219611315 1033712360 /nfs/dbraw/zinc/71/23/60/1033712360.db2.gz XPOHHVMDBNBABE-DGCLKSJQSA-N 1 3 369.309 2.506 20 0 FFADHO COCC[N@@H+]1CCOC[C@]2(CCCN(Cc3ccc4ncccc4c3)C2)C1 ZINC001138107485 1033770254 /nfs/dbraw/zinc/77/02/54/1033770254.db2.gz WQGHHQPZADDHSK-JOCHJYFZSA-N 1 3 369.509 2.796 20 0 FFADHO COCC[N@H+]1CCOC[C@]2(CCCN(Cc3ccc4ncccc4c3)C2)C1 ZINC001138107485 1033770271 /nfs/dbraw/zinc/77/02/71/1033770271.db2.gz WQGHHQPZADDHSK-JOCHJYFZSA-N 1 3 369.509 2.796 20 0 FFADHO O=C(NCc1ccccc1N1CCCCCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219976142 1033918309 /nfs/dbraw/zinc/91/83/09/1033918309.db2.gz BRTMWBRYSNZDJN-IBGZPJMESA-N 1 3 370.541 2.557 20 0 FFADHO O=C(NCc1ccccc1N1CCCCCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219976142 1033918324 /nfs/dbraw/zinc/91/83/24/1033918324.db2.gz BRTMWBRYSNZDJN-IBGZPJMESA-N 1 3 370.541 2.557 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)C1 ZINC001219980055 1033922996 /nfs/dbraw/zinc/92/29/96/1033922996.db2.gz APALBNCXWZZXGG-CZUORRHYSA-N 1 3 357.420 2.943 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)C1 ZINC001219980055 1033923008 /nfs/dbraw/zinc/92/30/08/1033923008.db2.gz APALBNCXWZZXGG-CZUORRHYSA-N 1 3 357.420 2.943 20 0 FFADHO C[NH2+]CCCCNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001220077309 1033974401 /nfs/dbraw/zinc/97/44/01/1033974401.db2.gz FDESOXVDJSTHHI-UHFFFAOYSA-N 1 3 351.494 2.824 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ncc(C)cc3C)CC2)CC1 ZINC000831542084 1034117754 /nfs/dbraw/zinc/11/77/54/1034117754.db2.gz BFDJTSPRLFZBJT-UHFFFAOYSA-N 1 3 358.530 2.511 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001225272102 1034187187 /nfs/dbraw/zinc/18/71/87/1034187187.db2.gz GPOOHBDNOANSLO-QUCCMNQESA-N 1 3 360.546 2.971 20 0 FFADHO [NH3+]CCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1)C12CC3CC(CC(C3)C1)C2 ZINC001220538377 1034243035 /nfs/dbraw/zinc/24/30/35/1034243035.db2.gz MKGPOQCSFITEQE-OJYUVLBFSA-N 1 3 373.463 2.673 20 0 FFADHO COc1cccc([C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c2ccccc2)c1 ZINC001220696946 1034342274 /nfs/dbraw/zinc/34/22/74/1034342274.db2.gz KDDJTVVFNDXDDY-SFTDATJTSA-N 1 3 369.509 2.960 20 0 FFADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1C[NH3+] ZINC001220852988 1034429652 /nfs/dbraw/zinc/42/96/52/1034429652.db2.gz GTVAFZNWKNYCHH-QFIPXVFZSA-N 1 3 359.473 2.999 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3ccc(Cl)o3)CC2)C1=O ZINC001277083915 1034454846 /nfs/dbraw/zinc/45/48/46/1034454846.db2.gz SPBWNOVLEKGZEQ-SFHVURJKSA-N 1 3 353.894 2.699 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917416 1034459058 /nfs/dbraw/zinc/45/90/58/1034459058.db2.gz ZEIVTMUNXLDAGN-FPOVZHCZSA-N 1 3 361.505 2.856 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917416 1034459061 /nfs/dbraw/zinc/45/90/61/1034459061.db2.gz ZEIVTMUNXLDAGN-FPOVZHCZSA-N 1 3 361.505 2.856 20 0 FFADHO O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1csc([C@@H]2CCCN2)n1 ZINC001220917266 1034459663 /nfs/dbraw/zinc/45/96/63/1034459663.db2.gz UILHWNHVBAKRKW-HOTGVXAUSA-N 1 3 362.543 2.952 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1csc([C@@H]2CCCN2)n1 ZINC001220917266 1034459670 /nfs/dbraw/zinc/45/96/70/1034459670.db2.gz UILHWNHVBAKRKW-HOTGVXAUSA-N 1 3 362.543 2.952 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001226161553 1034552294 /nfs/dbraw/zinc/55/22/94/1034552294.db2.gz QSEKTFATKCBAKG-QRVBRYPASA-N 1 3 353.551 2.691 20 0 FFADHO O=C(C[C@@H]1CCNC[C@@H]1F)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205522 1034601180 /nfs/dbraw/zinc/60/11/80/1034601180.db2.gz XUTKHNCXESIVON-SNRMKQJTSA-N 1 3 365.468 2.710 20 0 FFADHO OCCOc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138798441 1034676549 /nfs/dbraw/zinc/67/65/49/1034676549.db2.gz WRELLGMWLZWWDI-NHCUHLMSSA-N 1 3 352.478 2.622 20 0 FFADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)c1 ZINC001221402523 1034715478 /nfs/dbraw/zinc/71/54/78/1034715478.db2.gz CEXJWYOVXNQJRW-ZCNNSNEGSA-N 1 3 353.466 2.695 20 0 FFADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H](N)Cc2cccc3ccccc32)c1 ZINC001221404829 1034717763 /nfs/dbraw/zinc/71/77/63/1034717763.db2.gz ORXBEJVZYYJMIQ-SFTDATJTSA-N 1 3 363.461 2.534 20 0 FFADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408245 1034719638 /nfs/dbraw/zinc/71/96/38/1034719638.db2.gz HMUIHAAEPJFGBB-FGZHOGPDSA-N 1 3 363.505 2.728 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2cccccc1-2 ZINC001277158722 1034857249 /nfs/dbraw/zinc/85/72/49/1034857249.db2.gz ILRHKNYKIYNMFM-NHCUHLMSSA-N 1 3 351.494 2.918 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2cccccc1-2 ZINC001277158722 1034857258 /nfs/dbraw/zinc/85/72/58/1034857258.db2.gz ILRHKNYKIYNMFM-NHCUHLMSSA-N 1 3 351.494 2.918 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21)N1CCCCC1 ZINC001221553045 1034868592 /nfs/dbraw/zinc/86/85/92/1034868592.db2.gz OLIUMLDCNDPEPU-QZTJIDSGSA-N 1 3 353.526 2.923 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21)N1CCCCC1 ZINC001221553045 1034868594 /nfs/dbraw/zinc/86/85/94/1034868594.db2.gz OLIUMLDCNDPEPU-QZTJIDSGSA-N 1 3 353.526 2.923 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001226890060 1034873836 /nfs/dbraw/zinc/87/38/36/1034873836.db2.gz HDMPFAPIZKBIIF-GUDVDZBRSA-N 1 3 362.493 2.612 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001226890060 1034873843 /nfs/dbraw/zinc/87/38/43/1034873843.db2.gz HDMPFAPIZKBIIF-GUDVDZBRSA-N 1 3 362.493 2.612 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1F)N(C)C ZINC001227039146 1034918471 /nfs/dbraw/zinc/91/84/71/1034918471.db2.gz QZSUZYIEDVRCCM-KZNAEPCWSA-N 1 3 365.493 2.562 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4ccccc4c3)C[C@H]21 ZINC001221791526 1035072361 /nfs/dbraw/zinc/07/23/61/1035072361.db2.gz QFHIFBIJLXVTOZ-NHCUHLMSSA-N 1 3 351.494 2.824 20 0 FFADHO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCN(C)CC3)nc2)cn1 ZINC001232362159 1035623043 /nfs/dbraw/zinc/62/30/43/1035623043.db2.gz LZGSLIDLXFHLSB-FQEVSTJZSA-N 1 3 351.498 2.874 20 0 FFADHO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCN(C)CC3)nc2)cn1 ZINC001232362159 1035623049 /nfs/dbraw/zinc/62/30/49/1035623049.db2.gz LZGSLIDLXFHLSB-FQEVSTJZSA-N 1 3 351.498 2.874 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1F ZINC001228255419 1036017351 /nfs/dbraw/zinc/01/73/51/1036017351.db2.gz WGSMXIFQWFYYJG-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1)[NH+](CC)CC ZINC001228559680 1036179097 /nfs/dbraw/zinc/17/90/97/1036179097.db2.gz XIKRRZZZHZDSLB-GUDVDZBRSA-N 1 3 364.509 2.858 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001228646257 1036228586 /nfs/dbraw/zinc/22/85/86/1036228586.db2.gz CDRIQHPFVZWACW-KURKYZTESA-N 1 3 353.457 2.822 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cnoc1C)C(C)C ZINC001229194130 1036545635 /nfs/dbraw/zinc/54/56/35/1036545635.db2.gz KPSAXPHFDNNAMX-QRVBRYPASA-N 1 3 364.534 2.866 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc(N)n1)CC2 ZINC001233370381 1036568669 /nfs/dbraw/zinc/56/86/69/1036568669.db2.gz YWIQHSORXOABDF-HXUWFJFHSA-N 1 3 366.509 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc(N)n1)CC2 ZINC001233370381 1036568677 /nfs/dbraw/zinc/56/86/77/1036568677.db2.gz YWIQHSORXOABDF-HXUWFJFHSA-N 1 3 366.509 2.919 20 0 FFADHO CCCN(C(=O)NCc1ccc(Nc2ccncc2)cc1)[C@H]1CC[N@H+](C)C1 ZINC001233780595 1036760317 /nfs/dbraw/zinc/76/03/17/1036760317.db2.gz NTEDDWMXJAMZCP-FQEVSTJZSA-N 1 3 367.497 2.873 20 0 FFADHO CCCN(C(=O)NCc1ccc(Nc2ccncc2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC001233780595 1036760333 /nfs/dbraw/zinc/76/03/33/1036760333.db2.gz NTEDDWMXJAMZCP-FQEVSTJZSA-N 1 3 367.497 2.873 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266388 1037183807 /nfs/dbraw/zinc/18/38/07/1037183807.db2.gz FCCMONPGQQRCEE-RTBURBONSA-N 1 3 362.518 2.630 20 0 FFADHO COCC[N@H+](CC(C)(C)CN(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207287358 1037317154 /nfs/dbraw/zinc/31/71/54/1037317154.db2.gz BYBCGKBGLZMMSG-KRWDZBQOSA-N 1 3 371.566 2.922 20 0 FFADHO COCC[N@@H+](CC(C)(C)CN(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207287358 1037317167 /nfs/dbraw/zinc/31/71/67/1037317167.db2.gz BYBCGKBGLZMMSG-KRWDZBQOSA-N 1 3 371.566 2.922 20 0 FFADHO C[C@@H](CCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1)CC(C)(C)C ZINC001235206022 1037410935 /nfs/dbraw/zinc/41/09/35/1037410935.db2.gz QOEZGXJSASYLRH-KRWDZBQOSA-N 1 3 350.551 2.922 20 0 FFADHO COC(=O)c1cccc2n[nH]c(CN3CCC([C@H]4CCCC[NH2+]4)CC3)c21 ZINC001235242106 1037429099 /nfs/dbraw/zinc/42/90/99/1037429099.db2.gz REMBBIDXNBVNNI-MRXNPFEDSA-N 1 3 356.470 2.704 20 0 FFADHO c1ccc([C@H]2C[NH2+]C[C@]23CCCN3Cc2nc3c(s2)CNCC3)cc1 ZINC001235255646 1037434536 /nfs/dbraw/zinc/43/45/36/1037434536.db2.gz XIHUYSOYRZHYBD-OXQOHEQNSA-N 1 3 354.523 2.510 20 0 FFADHO [NH3+]Cc1cccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001235598844 1037638475 /nfs/dbraw/zinc/63/84/75/1037638475.db2.gz WSWLBQHNWVZUAM-CTNGQTDRSA-N 1 3 355.457 2.622 20 0 FFADHO CCOC(=O)[C@]12CN(Cc3cccc4c3ccn4CC)C[C@H]1C[NH2+]CC2 ZINC001236039192 1037898243 /nfs/dbraw/zinc/89/82/43/1037898243.db2.gz SUGYCUORIHFKEE-DYESRHJHSA-N 1 3 355.482 2.636 20 0 FFADHO Cc1cccc(-c2ccc(CN3CCC[C@@H](N4CC([NH3+])C4)C3)cn2)c1C ZINC001236080894 1037922784 /nfs/dbraw/zinc/92/27/84/1037922784.db2.gz YIAFMHDRHFNMHC-HXUWFJFHSA-N 1 3 350.510 2.973 20 0 FFADHO CCOC(=O)C1(C(C)C)CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001236267039 1038008594 /nfs/dbraw/zinc/00/85/94/1038008594.db2.gz WQKFSUWUHUUCOG-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO CCOC[C@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cnn(CC3CC3)c21 ZINC001208107859 1038041871 /nfs/dbraw/zinc/04/18/71/1038041871.db2.gz WFTYXZLCXULTTK-LJQANCHMSA-N 1 3 360.546 2.961 20 0 FFADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001208128637 1038064975 /nfs/dbraw/zinc/06/49/75/1038064975.db2.gz CAUDMOGWNAQLNB-YLJYHZDGSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001208128637 1038064992 /nfs/dbraw/zinc/06/49/92/1038064992.db2.gz CAUDMOGWNAQLNB-YLJYHZDGSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1CNCC(F)(F)[C@H]1CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400486 1038075061 /nfs/dbraw/zinc/07/50/61/1038075061.db2.gz DGDYPZICTUXWFJ-KSSFIOAISA-N 1 3 355.448 2.871 20 0 FFADHO O=C1N(Cc2cccnc2)CC[C@]12CC[N@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001232014162 1038109831 /nfs/dbraw/zinc/10/98/31/1038109831.db2.gz YZOCKCJWOXWNOV-NRFANRHFSA-N 1 3 361.449 2.583 20 0 FFADHO O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001232014162 1038109838 /nfs/dbraw/zinc/10/98/38/1038109838.db2.gz YZOCKCJWOXWNOV-NRFANRHFSA-N 1 3 361.449 2.583 20 0 FFADHO COc1ccc(O[C@H]2CCCN(Cc3cc4c(s3)C[NH2+]CC4)C2)nc1 ZINC001236624340 1038160086 /nfs/dbraw/zinc/16/00/86/1038160086.db2.gz YWQQYYDJLTUZGO-INIZCTEOSA-N 1 3 359.495 2.841 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1C ZINC001208515576 1038375946 /nfs/dbraw/zinc/37/59/46/1038375946.db2.gz UQONAHNUZFXDSY-XFQXTVEOSA-N 1 3 361.530 2.526 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C)N(CC)CC ZINC001208575192 1038421819 /nfs/dbraw/zinc/42/18/19/1038421819.db2.gz LSUBOTQSPTYPGU-MISYRCLQSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C)N(CC)CC ZINC001208575192 1038421827 /nfs/dbraw/zinc/42/18/27/1038421827.db2.gz LSUBOTQSPTYPGU-MISYRCLQSA-N 1 3 367.578 2.750 20 0 FFADHO CC[NH+]1CCC(CN2Cc3cncn3C[C@@H](COc3cccnc3)C2)CC1 ZINC001208596168 1038432638 /nfs/dbraw/zinc/43/26/38/1038432638.db2.gz DSZWWWZCHXUVDU-IBGZPJMESA-N 1 3 369.513 2.521 20 0 FFADHO C[NH+]1CCC(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)CC1 ZINC001256207981 1038433323 /nfs/dbraw/zinc/43/33/23/1038433323.db2.gz TXDHMMLYNVPIMD-LJQANCHMSA-N 1 3 364.484 2.709 20 0 FFADHO COC[C@@H]1C[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001256566518 1038563123 /nfs/dbraw/zinc/56/31/23/1038563123.db2.gz LKGYPTLGIMXKNT-SJORKVTESA-N 1 3 369.550 2.863 20 0 FFADHO Cc1cccc(CO[C@H]2CO[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)n1 ZINC001256622192 1038583103 /nfs/dbraw/zinc/58/31/03/1038583103.db2.gz HTDWLVALYMARCZ-UWFUTDFQSA-N 1 3 371.525 2.765 20 0 FFADHO Cc1cccc(CO[C@H]2CO[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)n1 ZINC001256622192 1038583115 /nfs/dbraw/zinc/58/31/15/1038583115.db2.gz HTDWLVALYMARCZ-UWFUTDFQSA-N 1 3 371.525 2.765 20 0 FFADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942858 1038597155 /nfs/dbraw/zinc/59/71/55/1038597155.db2.gz RYGDWXGENAWKQI-KCZVDYSFSA-N 1 3 372.509 2.553 20 0 FFADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942858 1038597160 /nfs/dbraw/zinc/59/71/60/1038597160.db2.gz RYGDWXGENAWKQI-KCZVDYSFSA-N 1 3 372.509 2.553 20 0 FFADHO c1ccc(-c2noc(CC[NH2+]C3CCC(N4CCOCC4)CC3)n2)cc1 ZINC001256678155 1038599664 /nfs/dbraw/zinc/59/96/64/1038599664.db2.gz LPXMZCQRGUUXQW-UHFFFAOYSA-N 1 3 356.470 2.512 20 0 FFADHO Brc1cncc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256682280 1038600599 /nfs/dbraw/zinc/60/05/99/1038600599.db2.gz IUGXSULNIIYYDX-UHFFFAOYSA-N 1 3 354.292 2.577 20 0 FFADHO Fc1ccc(CN2CC[C@@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)cc1 ZINC001256681582 1038600748 /nfs/dbraw/zinc/60/07/48/1038600748.db2.gz XNPGFOGRMHFLNS-NYLDSWQDSA-N 1 3 361.505 2.633 20 0 FFADHO Cc1ccc(N(C2CC[NH2+]CC2)C2CCC(N3CCOCC3)CC2)nc1 ZINC001256696328 1038606819 /nfs/dbraw/zinc/60/68/19/1038606819.db2.gz BNCJVZUNIXTCFN-UHFFFAOYSA-N 1 3 358.530 2.592 20 0 FFADHO c1ccc(CN2CC[C@H](C[NH+]3CCC(Oc4cnccn4)CC3)C2)cc1 ZINC001208958555 1038608173 /nfs/dbraw/zinc/60/81/73/1038608173.db2.gz PTRWZCPAPWDKRG-LJQANCHMSA-N 1 3 352.482 2.842 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3c(c1)CCCO3)C2 ZINC001278979538 1038661920 /nfs/dbraw/zinc/66/19/20/1038661920.db2.gz FGLYZIKAKASKMA-JOCHJYFZSA-N 1 3 357.542 2.861 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3c(c1)CCCO3)C2 ZINC001278979538 1038661924 /nfs/dbraw/zinc/66/19/24/1038661924.db2.gz FGLYZIKAKASKMA-JOCHJYFZSA-N 1 3 357.542 2.861 20 0 FFADHO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC001256998388 1038675636 /nfs/dbraw/zinc/67/56/36/1038675636.db2.gz JVJHMKIWRGPDLA-DLBZAZTESA-N 1 3 368.518 2.504 20 0 FFADHO CC[C@H]1C[C@@H](N2CCC([NH3+])(CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001257122730 1038716345 /nfs/dbraw/zinc/71/63/45/1038716345.db2.gz WCUXOJHUWNFAJM-IRXDYDNUSA-N 1 3 369.550 2.994 20 0 FFADHO CC(C)[NH+]1CCC(N2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)CC1 ZINC001257216578 1038747000 /nfs/dbraw/zinc/74/70/00/1038747000.db2.gz MOVLUSCQCKFIKV-UHFFFAOYSA-N 1 3 370.541 2.883 20 0 FFADHO CC(C)N1CCC([N@@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)CC1 ZINC001257219764 1038748506 /nfs/dbraw/zinc/74/85/06/1038748506.db2.gz JGFNBJDYUFLEOU-UHFFFAOYSA-N 1 3 371.451 2.880 20 0 FFADHO CC(C)N1CCC([N@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)CC1 ZINC001257219764 1038748513 /nfs/dbraw/zinc/74/85/13/1038748513.db2.gz JGFNBJDYUFLEOU-UHFFFAOYSA-N 1 3 371.451 2.880 20 0 FFADHO CCC(CC)[N@@H+]1CC[C@H](NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001250955192 1038848145 /nfs/dbraw/zinc/84/81/45/1038848145.db2.gz YJRNJKNCPFDOEE-INIZCTEOSA-N 1 3 369.550 2.601 20 0 FFADHO CCC(CC)[N@H+]1CC[C@H](NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001250955192 1038848173 /nfs/dbraw/zinc/84/81/73/1038848173.db2.gz YJRNJKNCPFDOEE-INIZCTEOSA-N 1 3 369.550 2.601 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001251125711 1038958169 /nfs/dbraw/zinc/95/81/69/1038958169.db2.gz QVIHESRCMOTYFX-SJORKVTESA-N 1 3 367.493 2.992 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001251125711 1038958179 /nfs/dbraw/zinc/95/81/79/1038958179.db2.gz QVIHESRCMOTYFX-SJORKVTESA-N 1 3 367.493 2.992 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1c[nH]nc1C)CC2 ZINC001209555189 1038984760 /nfs/dbraw/zinc/98/47/60/1038984760.db2.gz WOGUCDYAVDQGLN-FQEVSTJZSA-N 1 3 369.513 2.616 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1c[nH]nc1C)CC2 ZINC001209555189 1038984767 /nfs/dbraw/zinc/98/47/67/1038984767.db2.gz WOGUCDYAVDQGLN-FQEVSTJZSA-N 1 3 369.513 2.616 20 0 FFADHO c1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc2c1C1(CNC1)OC2 ZINC001245410503 1038995170 /nfs/dbraw/zinc/99/51/70/1038995170.db2.gz PUEQOMBNEQSNAC-UHFFFAOYSA-N 1 3 350.462 2.951 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCc1c(F)cccc1Cl ZINC001245976562 1039173302 /nfs/dbraw/zinc/17/33/02/1039173302.db2.gz UYPIVIILIFAAMC-ZWKOTPCHSA-N 1 3 372.818 2.820 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCc1c(F)cccc1Cl ZINC001245976562 1039173308 /nfs/dbraw/zinc/17/33/08/1039173308.db2.gz UYPIVIILIFAAMC-ZWKOTPCHSA-N 1 3 372.818 2.820 20 0 FFADHO O[C@@H](COCC(F)(F)C(F)F)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001251575960 1039185698 /nfs/dbraw/zinc/18/56/98/1039185698.db2.gz VBWAPUYZAYBPLQ-LSDHHAIUSA-N 1 3 370.431 2.605 20 0 FFADHO O[C@@H](COCC(F)(F)C(F)F)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001251575960 1039185707 /nfs/dbraw/zinc/18/57/07/1039185707.db2.gz VBWAPUYZAYBPLQ-LSDHHAIUSA-N 1 3 370.431 2.605 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC001209765807 1039200929 /nfs/dbraw/zinc/20/09/29/1039200929.db2.gz VBAROSUAKXJOSA-UHFFFAOYSA-N 1 3 353.514 2.536 20 0 FFADHO O[C@H](COc1cccc(F)c1)CN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246045595 1039213516 /nfs/dbraw/zinc/21/35/16/1039213516.db2.gz LEAXGWHRUFTVGC-IBGZPJMESA-N 1 3 370.468 2.702 20 0 FFADHO CCCC[C@@H](CC)COC[C@H](O)CN(CCCOC)C1CC[NH2+]CC1 ZINC001246048374 1039216322 /nfs/dbraw/zinc/21/63/22/1039216322.db2.gz ZTVDVYZVJWJBIM-UYAOXDASSA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@@H](CC)COC[C@H](O)C[N@H+](CCCOC)C1CCNCC1 ZINC001246048374 1039216329 /nfs/dbraw/zinc/21/63/29/1039216329.db2.gz ZTVDVYZVJWJBIM-UYAOXDASSA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](CCCOC)C1CCNCC1 ZINC001246048374 1039216348 /nfs/dbraw/zinc/21/63/48/1039216348.db2.gz ZTVDVYZVJWJBIM-UYAOXDASSA-N 1 3 358.567 2.671 20 0 FFADHO COc1ccc(C[C@H](C)N(Cc2ccccc2)C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001246050881 1039220951 /nfs/dbraw/zinc/22/09/51/1039220951.db2.gz GWVOFRCOXCSTEC-PGRDOPGGSA-N 1 3 354.494 2.853 20 0 FFADHO CCN(C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC001246055708 1039226420 /nfs/dbraw/zinc/22/64/20/1039226420.db2.gz NKIFOAFGZHKUKJ-LJQANCHMSA-N 1 3 362.514 2.576 20 0 FFADHO CC[N@H+](C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001246055708 1039226431 /nfs/dbraw/zinc/22/64/31/1039226431.db2.gz NKIFOAFGZHKUKJ-LJQANCHMSA-N 1 3 362.514 2.576 20 0 FFADHO CC[N@@H+](C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001246055708 1039226439 /nfs/dbraw/zinc/22/64/39/1039226439.db2.gz NKIFOAFGZHKUKJ-LJQANCHMSA-N 1 3 362.514 2.576 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@@H]3CNCC34CC4)CC[C@H]2C1 ZINC001246127114 1039250163 /nfs/dbraw/zinc/25/01/63/1039250163.db2.gz AMIVJYZGUULNLQ-LWYYNNOASA-N 1 3 353.510 2.659 20 0 FFADHO COc1ccc2cc(CC[C@@H](C)[NH2+][C@@H]3[C@H]4CNC[C@@H]3COC4)ccc2c1 ZINC001246153406 1039259211 /nfs/dbraw/zinc/25/92/11/1039259211.db2.gz YHZQQCLQNVKUKN-DZUANBCISA-N 1 3 354.494 2.994 20 0 FFADHO CSCC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258200653 1039266550 /nfs/dbraw/zinc/26/65/50/1039266550.db2.gz VHDNSFCABQLSGF-SJLPKXTDSA-N 1 3 363.571 2.533 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CCN1 ZINC001246388615 1039332377 /nfs/dbraw/zinc/33/23/77/1039332377.db2.gz FRZYIJLLQMGFFD-YOEHRIQHSA-N 1 3 370.946 2.560 20 0 FFADHO [NH3+]C[C@]1(F)CCCCN(C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)C1 ZINC001246584664 1039406757 /nfs/dbraw/zinc/40/67/57/1039406757.db2.gz YFWDVXFFEIJRNY-OTYNDTSQSA-N 1 3 361.505 2.571 20 0 FFADHO C[C@H](CCc1ccc(Br)cc1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246612568 1039415137 /nfs/dbraw/zinc/41/51/37/1039415137.db2.gz AGBJDYKDYDISPJ-JLSDUUJJSA-N 1 3 366.347 2.796 20 0 FFADHO O=C1NC2(CCN(CCCC(F)(F)F)CC2)[C@@H]2C[N@H+](C3CCCC3)C[C@@H]12 ZINC001278461123 1039433183 /nfs/dbraw/zinc/43/31/83/1039433183.db2.gz JYOLQCIWANJLAJ-HZPDHXFCSA-N 1 3 373.463 2.784 20 0 FFADHO O=C1NC2(CCN(CCCC(F)(F)F)CC2)[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001278461123 1039433189 /nfs/dbraw/zinc/43/31/89/1039433189.db2.gz JYOLQCIWANJLAJ-HZPDHXFCSA-N 1 3 373.463 2.784 20 0 FFADHO CC(=O)Nc1ccc(CN2CC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)cc1 ZINC001278463959 1039457969 /nfs/dbraw/zinc/45/79/69/1039457969.db2.gz OAZAMKYXFHIEGB-IBGZPJMESA-N 1 3 357.498 2.579 20 0 FFADHO C[C@@H]1CC[C@@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C[NH2+]1 ZINC001246754388 1039465021 /nfs/dbraw/zinc/46/50/21/1039465021.db2.gz IMPPCGHXTYRNTI-QRQLOZEOSA-N 1 3 364.484 2.755 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C3)n1 ZINC001246753521 1039465558 /nfs/dbraw/zinc/46/55/58/1039465558.db2.gz NLNLJTXGBNNPFD-ZHHKINOHSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+]([C@@H]2CCN[C@H](C)C2)C3)n1 ZINC001246753521 1039465567 /nfs/dbraw/zinc/46/55/67/1039465567.db2.gz NLNLJTXGBNNPFD-ZHHKINOHSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@@H]2CC[NH2+][C@H](C)C2)C3)n1 ZINC001246753521 1039465574 /nfs/dbraw/zinc/46/55/74/1039465574.db2.gz NLNLJTXGBNNPFD-ZHHKINOHSA-N 1 3 373.541 2.918 20 0 FFADHO Fc1cccc(N2CCOC[C@]3(CCCN([C@@H]4CCC[NH2+]CC4)C3)C2)c1 ZINC001246755714 1039466967 /nfs/dbraw/zinc/46/69/67/1039466967.db2.gz LWQUMTFKDDXVML-CTNGQTDRSA-N 1 3 361.505 2.887 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CC[NH+]([C@@H]3CCN[C@@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756557 1039467953 /nfs/dbraw/zinc/46/79/53/1039467953.db2.gz LNLZYSJZDPCQIK-SQGPQFPESA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756557 1039467957 /nfs/dbraw/zinc/46/79/57/1039467957.db2.gz LNLZYSJZDPCQIK-SQGPQFPESA-N 1 3 370.541 2.843 20 0 FFADHO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCN[C@H](C)C3)O2)cs1 ZINC001246762690 1039470213 /nfs/dbraw/zinc/47/02/13/1039470213.db2.gz XOLZJDCDLSRGNL-NTDXCCSUSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CCN[C@H](C)C3)O2)cs1 ZINC001246762690 1039470217 /nfs/dbraw/zinc/47/02/17/1039470217.db2.gz XOLZJDCDLSRGNL-NTDXCCSUSA-N 1 3 365.543 2.731 20 0 FFADHO c1nc(CNC2CCCC2)c2n1CCCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246772513 1039473767 /nfs/dbraw/zinc/47/37/67/1039473767.db2.gz PJWDXFWPQFPIRS-REPLKXPHSA-N 1 3 357.546 2.794 20 0 FFADHO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246943018 1039542029 /nfs/dbraw/zinc/54/20/29/1039542029.db2.gz SRKLNPMNIHRBPV-DQOAATFDSA-N 1 3 374.529 2.751 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC001252840491 1039724419 /nfs/dbraw/zinc/72/44/19/1039724419.db2.gz AGHMZJUUVSDKBF-HMXCVIKNSA-N 1 3 362.489 2.539 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC001252840491 1039724436 /nfs/dbraw/zinc/72/44/36/1039724436.db2.gz AGHMZJUUVSDKBF-HMXCVIKNSA-N 1 3 362.489 2.539 20 0 FFADHO Cc1ccc2[nH]nc(CN3CCC[C@]4(CC[N@@H+](CCN(C)C)C4)C3)c2c1 ZINC001278484411 1039735411 /nfs/dbraw/zinc/73/54/11/1039735411.db2.gz AOZQOGBSQJMQGO-OAQYLSRUSA-N 1 3 355.530 2.721 20 0 FFADHO Cc1ccc2[nH]nc(CN3CCC[C@]4(CC[N@H+](CCN(C)C)C4)C3)c2c1 ZINC001278484411 1039735426 /nfs/dbraw/zinc/73/54/26/1039735426.db2.gz AOZQOGBSQJMQGO-OAQYLSRUSA-N 1 3 355.530 2.721 20 0 FFADHO Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001252930775 1039812285 /nfs/dbraw/zinc/81/22/85/1039812285.db2.gz CCJGZZGSPRYSOJ-FPOVZHCZSA-N 1 3 374.573 2.984 20 0 FFADHO Cc1ccc(C[C@@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001252930775 1039812306 /nfs/dbraw/zinc/81/23/06/1039812306.db2.gz CCJGZZGSPRYSOJ-FPOVZHCZSA-N 1 3 374.573 2.984 20 0 FFADHO O[C@]1(CN[C@@H]2CSc3ccccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951537 1039867288 /nfs/dbraw/zinc/86/72/88/1039867288.db2.gz SHCZDZNWUWEGIL-FPOVZHCZSA-N 1 3 354.519 2.930 20 0 FFADHO O[C@]1(CN[C@@H]2CSc3ccccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951537 1039867316 /nfs/dbraw/zinc/86/73/16/1039867316.db2.gz SHCZDZNWUWEGIL-FPOVZHCZSA-N 1 3 354.519 2.930 20 0 FFADHO CCCC[C@H](CC)COC[C@@H](O)CNC1CC[NH+](CCCOC)CC1 ZINC001253022431 1039925583 /nfs/dbraw/zinc/92/55/83/1039925583.db2.gz OQJLGTJREAMDGS-ICSRJNTNSA-N 1 3 358.567 2.671 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CSc2ccc(Br)cc2C1 ZINC001253217542 1040053651 /nfs/dbraw/zinc/05/36/51/1040053651.db2.gz YMQRKKLFTGLFCB-CABCVRRESA-N 1 3 373.360 2.758 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211300543 1040071237 /nfs/dbraw/zinc/07/12/37/1040071237.db2.gz NGXCFTFYNIBHMG-XMSQKQJNSA-N 1 3 369.553 2.988 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211343743 1040090171 /nfs/dbraw/zinc/09/01/71/1040090171.db2.gz JWVRWKALYXQGIP-DYESRHJHSA-N 1 3 371.525 2.529 20 0 FFADHO C[NH+](C)CC(C)(C)CNC[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253435255 1040182466 /nfs/dbraw/zinc/18/24/66/1040182466.db2.gz YECKHGHKUKZISN-SFHVURJKSA-N 1 3 364.530 2.679 20 0 FFADHO [NH3+][C@@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1cccc(Cl)c1 ZINC001248259183 1040195779 /nfs/dbraw/zinc/19/57/79/1040195779.db2.gz KLDMDEHCUBUYNE-AWEZNQCLSA-N 1 3 355.829 2.673 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC001253947839 1040466004 /nfs/dbraw/zinc/46/60/04/1040466004.db2.gz SFTDVOOCCZNPSK-AFMYVXGZSA-N 1 3 362.562 2.909 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC001253947839 1040466011 /nfs/dbraw/zinc/46/60/11/1040466011.db2.gz SFTDVOOCCZNPSK-AFMYVXGZSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001254012126 1040515068 /nfs/dbraw/zinc/51/50/68/1040515068.db2.gz FOZFUJDVNQYFKR-IBGZPJMESA-N 1 3 364.530 2.925 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001254028270 1040530911 /nfs/dbraw/zinc/53/09/11/1040530911.db2.gz UMYZAYHFUUIJFA-FCGDIQPGSA-N 1 3 362.514 2.818 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001254028270 1040530934 /nfs/dbraw/zinc/53/09/34/1040530934.db2.gz UMYZAYHFUUIJFA-FCGDIQPGSA-N 1 3 362.514 2.818 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC001254038277 1040536648 /nfs/dbraw/zinc/53/66/48/1040536648.db2.gz BODRHRWRWVFWJS-QUCCMNQESA-N 1 3 374.525 2.677 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC001254038277 1040536665 /nfs/dbraw/zinc/53/66/65/1040536665.db2.gz BODRHRWRWVFWJS-QUCCMNQESA-N 1 3 374.525 2.677 20 0 FFADHO CC(C)(C)OC(=O)N1CCCC[C@@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254192052 1040607677 /nfs/dbraw/zinc/60/76/77/1040607677.db2.gz MMFLTMJYIRFGCX-BRWVUGGUSA-N 1 3 367.534 2.747 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254369472 1040685490 /nfs/dbraw/zinc/68/54/90/1040685490.db2.gz QWBREKNEAGLETI-PWRODBHTSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254369472 1040685495 /nfs/dbraw/zinc/68/54/95/1040685495.db2.gz QWBREKNEAGLETI-PWRODBHTSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@@H+]1CCC[C@H](N[C@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254505958 1040758966 /nfs/dbraw/zinc/75/89/66/1040758966.db2.gz MJJAUHQGUXLGEF-SQGPQFPESA-N 1 3 367.534 2.619 20 0 FFADHO C[N@H+]1CCC[C@H](N[C@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254505958 1040758973 /nfs/dbraw/zinc/75/89/73/1040758973.db2.gz MJJAUHQGUXLGEF-SQGPQFPESA-N 1 3 367.534 2.619 20 0 FFADHO CN1CCC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC1 ZINC001254518747 1040762716 /nfs/dbraw/zinc/76/27/16/1040762716.db2.gz OTPRDYDGVSLQAM-QKNQBKEWSA-N 1 3 359.514 2.816 20 0 FFADHO CN1CCC[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC1 ZINC001254518747 1040762730 /nfs/dbraw/zinc/76/27/30/1040762730.db2.gz OTPRDYDGVSLQAM-QKNQBKEWSA-N 1 3 359.514 2.816 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)CC1 ZINC001254520904 1040769358 /nfs/dbraw/zinc/76/93/58/1040769358.db2.gz ZIDHZXMAYQJQIZ-FDFHNCONSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)CC1 ZINC001254520904 1040769383 /nfs/dbraw/zinc/76/93/83/1040769383.db2.gz ZIDHZXMAYQJQIZ-FDFHNCONSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)CC1 ZINC001254519677 1040770093 /nfs/dbraw/zinc/77/00/93/1040770093.db2.gz UULHCRWFNNXTSM-KSEOMHKRSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)CC1 ZINC001254519677 1040770107 /nfs/dbraw/zinc/77/01/07/1040770107.db2.gz UULHCRWFNNXTSM-KSEOMHKRSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001254534574 1040785682 /nfs/dbraw/zinc/78/56/82/1040785682.db2.gz XKECRSBYSQEYDI-IBGZPJMESA-N 1 3 351.498 2.750 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254691724 1040885175 /nfs/dbraw/zinc/88/51/75/1040885175.db2.gz WGCDQICEIUCUKX-HRCADAONSA-N 1 3 369.575 2.944 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254691724 1040885190 /nfs/dbraw/zinc/88/51/90/1040885190.db2.gz WGCDQICEIUCUKX-HRCADAONSA-N 1 3 369.575 2.944 20 0 FFADHO CN1C(=O)[C@@H](c2ccccc2)CC12CCN([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857761 1041010521 /nfs/dbraw/zinc/01/05/21/1041010521.db2.gz CKFBMSKAHYYSAP-LEWJYISDSA-N 1 3 367.537 2.951 20 0 FFADHO NCC[N@H+](Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254992460 1041086177 /nfs/dbraw/zinc/08/61/77/1041086177.db2.gz NSWXHOLGPCQHJK-NOTZXAQLSA-N 1 3 365.521 2.879 20 0 FFADHO NCC[N@@H+](Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254992460 1041086187 /nfs/dbraw/zinc/08/61/87/1041086187.db2.gz NSWXHOLGPCQHJK-NOTZXAQLSA-N 1 3 365.521 2.879 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213933662 1041086960 /nfs/dbraw/zinc/08/69/60/1041086960.db2.gz CTLSMDGGNIMVOA-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001214754854 1041563257 /nfs/dbraw/zinc/56/32/57/1041563257.db2.gz JKDSXTJQIJHBME-FSPWUOQZSA-N 1 3 369.550 2.981 20 0 FFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214902433 1041613676 /nfs/dbraw/zinc/61/36/76/1041613676.db2.gz OXWYDSGTVMHQTF-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001215473470 1041796689 /nfs/dbraw/zinc/79/66/89/1041796689.db2.gz AXNAEIPDKVACIT-RBSFLKMASA-N 1 3 351.457 2.742 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1)[NH+](CC)CC ZINC001215518595 1041812471 /nfs/dbraw/zinc/81/24/71/1041812471.db2.gz GTEBVNVKDKOLRO-DJIMGWMZSA-N 1 3 366.937 2.792 20 0 FFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c1 ZINC001215536913 1041819328 /nfs/dbraw/zinc/81/93/28/1041819328.db2.gz ZHWFWNHNHOPSQN-SVFBPWRDSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001215540669 1041820342 /nfs/dbraw/zinc/82/03/42/1041820342.db2.gz PNCURCILDNQXMP-NLWGTHIKSA-N 1 3 365.562 2.504 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)cc1 ZINC001215563835 1041829489 /nfs/dbraw/zinc/82/94/89/1041829489.db2.gz RQLWPWHWQDAGFL-VQIMIIECSA-N 1 3 361.530 2.610 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCCC1CCOCC1 ZINC001215568728 1041830810 /nfs/dbraw/zinc/83/08/10/1041830810.db2.gz RDXGMNRMWHCXRQ-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001215973235 1041921371 /nfs/dbraw/zinc/92/13/71/1041921371.db2.gz YNRUHQBMNMGSSA-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001216490437 1042040547 /nfs/dbraw/zinc/04/05/47/1042040547.db2.gz DCMGWFLBVOXIRI-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(F)cc(F)c2)C1 ZINC001216490437 1042040552 /nfs/dbraw/zinc/04/05/52/1042040552.db2.gz DCMGWFLBVOXIRI-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001263037132 1042054785 /nfs/dbraw/zinc/05/47/85/1042054785.db2.gz RAFZIOHQNFKSEH-QGZVFWFLSA-N 1 3 360.550 2.562 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1c1ccccc1)N(C)C ZINC001263887082 1042510982 /nfs/dbraw/zinc/51/09/82/1042510982.db2.gz IYNGMJJGQOZZJK-PWRODBHTSA-N 1 3 357.542 2.957 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1)N(C)C ZINC001263887082 1042510984 /nfs/dbraw/zinc/51/09/84/1042510984.db2.gz IYNGMJJGQOZZJK-PWRODBHTSA-N 1 3 357.542 2.957 20 0 FFADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001264596137 1042732906 /nfs/dbraw/zinc/73/29/06/1042732906.db2.gz JLFIHBRXDVJSIL-XUVXKRRUSA-N 1 3 361.505 2.994 20 0 FFADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001264596137 1042732911 /nfs/dbraw/zinc/73/29/11/1042732911.db2.gz JLFIHBRXDVJSIL-XUVXKRRUSA-N 1 3 361.505 2.994 20 0 FFADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cc(F)cc(F)c1 ZINC001265114462 1042842968 /nfs/dbraw/zinc/84/29/68/1042842968.db2.gz ASMBLSHLKORKBK-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cc(F)cc(F)c1 ZINC001265114462 1042842974 /nfs/dbraw/zinc/84/29/74/1042842974.db2.gz ASMBLSHLKORKBK-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO COc1cccc(Cl)c1CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266145769 1042895945 /nfs/dbraw/zinc/89/59/45/1042895945.db2.gz CVDZTLSTBCKVQY-RRFJBIMHSA-N 1 3 367.921 2.673 20 0 FFADHO COc1cccc(Cl)c1CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266145769 1042895949 /nfs/dbraw/zinc/89/59/49/1042895949.db2.gz CVDZTLSTBCKVQY-RRFJBIMHSA-N 1 3 367.921 2.673 20 0 FFADHO Cc1cc(C[N@@H+]2CCC3(C2)CCN(Cc2cnc(Cl)nc2)CC3)n(C)n1 ZINC001279182253 1042935771 /nfs/dbraw/zinc/93/57/71/1042935771.db2.gz UYABYGNFYYCHIB-UHFFFAOYSA-N 1 3 374.920 2.660 20 0 FFADHO Cc1cc(C[N@H+]2CCC3(C2)CCN(Cc2cnc(Cl)nc2)CC3)n(C)n1 ZINC001279182253 1042935772 /nfs/dbraw/zinc/93/57/72/1042935772.db2.gz UYABYGNFYYCHIB-UHFFFAOYSA-N 1 3 374.920 2.660 20 0 FFADHO FC(F)(F)CCC[NH2+][C@@]12CC[C@@](NCCN3CCOCC3)(C1)CCC2 ZINC001279245878 1042964221 /nfs/dbraw/zinc/96/42/21/1042964221.db2.gz HTMMRDREMHSBRJ-DLBZAZTESA-N 1 3 363.468 2.686 20 0 FFADHO CCOc1ccc2[nH]cc(CN3CC4(C3)CCN(CC[NH+](C)C)C4)c2c1 ZINC001279248062 1042965245 /nfs/dbraw/zinc/96/52/45/1042965245.db2.gz BLMHEWZCKAXCBE-UHFFFAOYSA-N 1 3 356.514 2.636 20 0 FFADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](CC3Cc4ccccc4C3)C[C@H]2CC1 ZINC001279255035 1042969386 /nfs/dbraw/zinc/96/93/86/1042969386.db2.gz DEKVIIFQZLAWKP-SZPZYZBQSA-N 1 3 350.510 2.969 20 0 FFADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](CC3Cc4ccccc4C3)C[C@H]2CC1 ZINC001279255035 1042969390 /nfs/dbraw/zinc/96/93/90/1042969390.db2.gz DEKVIIFQZLAWKP-SZPZYZBQSA-N 1 3 350.510 2.969 20 0 FFADHO Cc1cc(Br)ccc1CN1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001279323225 1043000558 /nfs/dbraw/zinc/00/05/58/1043000558.db2.gz ZHOLBWIZHDNCDU-FUHWJXTLSA-N 1 3 366.347 2.825 20 0 FFADHO c1cn2ccc(CN[C@@]34CC[C@@]([NH2+]Cc5cn[nH]c5)(C3)CCC4)cc2n1 ZINC001279357503 1043024144 /nfs/dbraw/zinc/02/41/44/1043024144.db2.gz LECQIONGIJLZMP-VQTJNVASSA-N 1 3 350.470 2.782 20 0 FFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3ncc4ccccn43)C2)C1 ZINC001279418431 1043088455 /nfs/dbraw/zinc/08/84/55/1043088455.db2.gz QXWPYCFCAZSRKH-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC001279501965 1043197399 /nfs/dbraw/zinc/19/73/99/1043197399.db2.gz LOYTUJMGXVFZOP-NCYKPQTJSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C[C@@H]1CCC[N@@H+](C)C1 ZINC001279501965 1043197403 /nfs/dbraw/zinc/19/74/03/1043197403.db2.gz LOYTUJMGXVFZOP-NCYKPQTJSA-N 1 3 351.579 2.930 20 0 FFADHO Cc1c(F)cc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1F ZINC001279600155 1043319274 /nfs/dbraw/zinc/31/92/74/1043319274.db2.gz XIPQEOXMDMJVBW-CALCHBBNSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1c(F)cc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1F ZINC001279600155 1043319285 /nfs/dbraw/zinc/31/92/85/1043319285.db2.gz XIPQEOXMDMJVBW-CALCHBBNSA-N 1 3 365.468 2.505 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCCc1ccccc1F)CC2 ZINC001279620404 1043355154 /nfs/dbraw/zinc/35/51/54/1043355154.db2.gz UOQBXYRCSHMYNH-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2CC1 ZINC001279634804 1043375109 /nfs/dbraw/zinc/37/51/09/1043375109.db2.gz SHRIMYUNBXIJMU-OYRHEFFESA-N 1 3 357.542 2.741 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCCCc3ccccc3)C[C@H]2CC1 ZINC001279634804 1043375120 /nfs/dbraw/zinc/37/51/20/1043375120.db2.gz SHRIMYUNBXIJMU-OYRHEFFESA-N 1 3 357.542 2.741 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2oc(C)nc2C)CC3)n(C)n1 ZINC001279638659 1043381335 /nfs/dbraw/zinc/38/13/35/1043381335.db2.gz PJUVXRKWTHVDAR-UHFFFAOYSA-N 1 3 357.502 2.821 20 0 FFADHO CCN1CCn2c(C)cnc2C12CCN(Cc1cccc3c[nH+]cn31)CC2 ZINC001238105201 1043538723 /nfs/dbraw/zinc/53/87/23/1043538723.db2.gz QPDCDASUEARUNW-UHFFFAOYSA-N 1 3 364.497 2.666 20 0 FFADHO COCCC[N@@H+]1Cc2ccccc2C2(CCN(Cc3cn[nH]c3)CC2)C1 ZINC001278207264 1043623313 /nfs/dbraw/zinc/62/33/13/1043623313.db2.gz LCXXJOISDWGJAX-UHFFFAOYSA-N 1 3 354.498 2.796 20 0 FFADHO COCCC[N@H+]1Cc2ccccc2C2(CCN(Cc3cn[nH]c3)CC2)C1 ZINC001278207264 1043623316 /nfs/dbraw/zinc/62/33/16/1043623316.db2.gz LCXXJOISDWGJAX-UHFFFAOYSA-N 1 3 354.498 2.796 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)c1ccc2c(n1)CCN(C[C@H]1C[C@@H]1C)C2 ZINC001279825154 1043717556 /nfs/dbraw/zinc/71/75/56/1043717556.db2.gz CUTLDGAHBITCFY-FUHWJXTLSA-N 1 3 358.530 2.510 20 0 FFADHO O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001279844850 1043762539 /nfs/dbraw/zinc/76/25/39/1043762539.db2.gz VIUCJDZCHPHGRN-AZUAARDMSA-N 1 3 359.518 2.716 20 0 FFADHO c1cn(CC[N@H+]2CC[C@]3(C2)CCCN(CCCc2cccnc2)C3)cn1 ZINC001278262749 1043806521 /nfs/dbraw/zinc/80/65/21/1043806521.db2.gz OTZRMHSBGVVWPK-OAQYLSRUSA-N 1 3 353.514 2.699 20 0 FFADHO c1cn(CC[N@@H+]2CC[C@]3(C2)CCCN(CCCc2cccnc2)C3)cn1 ZINC001278262749 1043806536 /nfs/dbraw/zinc/80/65/36/1043806536.db2.gz OTZRMHSBGVVWPK-OAQYLSRUSA-N 1 3 353.514 2.699 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cccc(=O)n1C)CC2 ZINC001279903869 1043894593 /nfs/dbraw/zinc/89/45/93/1043894593.db2.gz DYHNEUYADVKJPX-UHFFFAOYSA-N 1 3 372.538 2.638 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1cccc(=O)n1C)CC2 ZINC001279903869 1043894605 /nfs/dbraw/zinc/89/46/05/1043894605.db2.gz DYHNEUYADVKJPX-UHFFFAOYSA-N 1 3 372.538 2.638 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(CCc1ccc(F)c(F)c1)C2 ZINC001278281020 1043895228 /nfs/dbraw/zinc/89/52/28/1043895228.db2.gz CXPQGLTWIDHMCW-HXUWFJFHSA-N 1 3 351.485 2.857 20 0 FFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(CCc1ccc(F)c(F)c1)C2 ZINC001278281020 1043895240 /nfs/dbraw/zinc/89/52/40/1043895240.db2.gz CXPQGLTWIDHMCW-HXUWFJFHSA-N 1 3 351.485 2.857 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccccc1C(F)(F)F ZINC001239215066 1044071418 /nfs/dbraw/zinc/07/14/18/1044071418.db2.gz JDTCHRORZWDOFE-LBPRGKRZSA-N 1 3 356.392 2.701 20 0 FFADHO NCCC[NH2+]CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001239396950 1044111584 /nfs/dbraw/zinc/11/15/84/1044111584.db2.gz RRBJUXQPMKKUOZ-UHFFFAOYSA-N 1 3 368.856 2.974 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC001280053458 1044141383 /nfs/dbraw/zinc/14/13/83/1044141383.db2.gz PVVXXYRPLMVGNC-IXDOHACOSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNCc3nc(C)cs3)C2)CC[N@H+]1C ZINC001280053458 1044141389 /nfs/dbraw/zinc/14/13/89/1044141389.db2.gz PVVXXYRPLMVGNC-IXDOHACOSA-N 1 3 364.559 2.510 20 0 FFADHO CCc1ccccc1CN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001280094943 1044198542 /nfs/dbraw/zinc/19/85/42/1044198542.db2.gz CHOYXCLKKAPVAF-HXUWFJFHSA-N 1 3 355.526 2.624 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(F)ccnc3Cl)C[C@H]2CC1 ZINC001280099153 1044204777 /nfs/dbraw/zinc/20/47/77/1044204777.db2.gz QNDRVHSVEQGFMT-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(F)ccnc3Cl)C[C@H]2CC1 ZINC001280099153 1044204783 /nfs/dbraw/zinc/20/47/83/1044204783.db2.gz QNDRVHSVEQGFMT-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN1CCN(Cc2ccc(-c3ccc(OCCC[NH+](C)C)nc3)cc2)CC1 ZINC001240408241 1044332864 /nfs/dbraw/zinc/33/28/64/1044332864.db2.gz FOCSLVQUUVPFNA-UHFFFAOYSA-N 1 3 368.525 2.827 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c(CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001313451253 1044366417 /nfs/dbraw/zinc/36/64/17/1044366417.db2.gz UFGIUIZAXNWFLC-KURKYZTESA-N 1 3 362.566 2.634 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c(CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001313451253 1044366430 /nfs/dbraw/zinc/36/64/30/1044366430.db2.gz UFGIUIZAXNWFLC-KURKYZTESA-N 1 3 362.566 2.634 20 0 FFADHO Cc1ccc([C@@H](C)CCN2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)o1 ZINC001280232542 1044434250 /nfs/dbraw/zinc/43/42/50/1044434250.db2.gz MIPBLEQMLVWTGI-YJBOKZPZSA-N 1 3 359.514 2.614 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001313872296 1044434507 /nfs/dbraw/zinc/43/45/07/1044434507.db2.gz WDMNSEFNIRVBBU-BBWFWOEESA-N 1 3 364.582 2.736 20 0 FFADHO CN(Cc1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1)C1CC1 ZINC001241768711 1044592893 /nfs/dbraw/zinc/59/28/93/1044592893.db2.gz ZQSAWHMMRHJSDQ-UHFFFAOYSA-N 1 3 352.482 2.634 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(Cl)cc2OC)CC[N@@H+]1C ZINC001317241386 1045068994 /nfs/dbraw/zinc/06/89/94/1045068994.db2.gz KJQYVMAUVPQOHK-RRQGHBQHSA-N 1 3 367.921 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(Cl)cc2OC)CC[N@H+]1C ZINC001317241386 1045069004 /nfs/dbraw/zinc/06/90/04/1045069004.db2.gz KJQYVMAUVPQOHK-RRQGHBQHSA-N 1 3 367.921 2.673 20 0 FFADHO CCc1onc(C)c1CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001319914089 1045300781 /nfs/dbraw/zinc/30/07/81/1045300781.db2.gz BQRSKMCPUPLIBB-RYQLBKOJSA-N 1 3 364.534 2.506 20 0 FFADHO CCc1onc(C)c1CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001319914089 1045300787 /nfs/dbraw/zinc/30/07/87/1045300787.db2.gz BQRSKMCPUPLIBB-RYQLBKOJSA-N 1 3 364.534 2.506 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001321744990 1045783836 /nfs/dbraw/zinc/78/38/36/1045783836.db2.gz WPGFGLYCHIBGGH-OALUTQOASA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001324934985 1046293943 /nfs/dbraw/zinc/29/39/43/1046293943.db2.gz AAJJMVXAJYVCQL-BSIFCXSSSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC001324934985 1046293960 /nfs/dbraw/zinc/29/39/60/1046293960.db2.gz AAJJMVXAJYVCQL-BSIFCXSSSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CCN1Cc1ccccc1 ZINC001323154656 1046363577 /nfs/dbraw/zinc/36/35/77/1046363577.db2.gz BEIWMTRBWFDJAS-RSPOEFSDSA-N 1 3 358.530 2.821 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325312332 1046462949 /nfs/dbraw/zinc/46/29/49/1046462949.db2.gz XEGLTQYATZINCH-FQEVSTJZSA-N 1 3 370.541 2.826 20 0 FFADHO CO[C@@H](CN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C)C1CCCC1 ZINC001284533231 1046564643 /nfs/dbraw/zinc/56/46/43/1046564643.db2.gz HRBGGAXFKOYVKP-RLLQIKCJSA-N 1 3 367.578 2.701 20 0 FFADHO CO[C@@H](CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C)C1CCCC1 ZINC001284533231 1046564654 /nfs/dbraw/zinc/56/46/54/1046564654.db2.gz HRBGGAXFKOYVKP-RLLQIKCJSA-N 1 3 367.578 2.701 20 0 FFADHO CC(C)OCc1ccc(CNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326584772 1046989255 /nfs/dbraw/zinc/98/92/55/1046989255.db2.gz ZEXVIWJAYHLFTJ-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccc(C(N)=O)cc1 ZINC001327419293 1047886613 /nfs/dbraw/zinc/88/66/13/1047886613.db2.gz HYFIWEGRBYCDGF-UHFFFAOYSA-N 1 3 367.493 2.892 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327479529 1047916340 /nfs/dbraw/zinc/91/63/40/1047916340.db2.gz HGYRIJIVPRKAFN-UYAOXDASSA-N 1 3 370.541 2.682 20 0 FFADHO N[C@H](CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001333732143 1049086407 /nfs/dbraw/zinc/08/64/07/1049086407.db2.gz JOOHXQMVMDVMCO-NHCUHLMSSA-N 1 3 364.493 3.000 20 0 FFADHO N[C@H](CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001333732143 1049086422 /nfs/dbraw/zinc/08/64/22/1049086422.db2.gz JOOHXQMVMDVMCO-NHCUHLMSSA-N 1 3 364.493 3.000 20 0 FFADHO [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@@H]1CCN(Cc4ccccc4)C1)(C3)C2 ZINC001341531502 1050161187 /nfs/dbraw/zinc/16/11/87/1050161187.db2.gz BNPFFFKKAWSONS-DHIRWMJTSA-N 1 3 353.510 2.675 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]([NH3+])CCSC)c(C)c2)CC1 ZINC001341731523 1050350543 /nfs/dbraw/zinc/35/05/43/1050350543.db2.gz GOABHVDUKCNUIN-INIZCTEOSA-N 1 3 364.559 2.546 20 0 FFADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc2c(s1)CNCC2 ZINC001340041811 1050452505 /nfs/dbraw/zinc/45/25/05/1050452505.db2.gz OZZGXUUNTXXRAR-UHFFFAOYSA-N 1 3 355.507 2.572 20 0 FFADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc2c(s1)CNCC2 ZINC001340041811 1050452509 /nfs/dbraw/zinc/45/25/09/1050452509.db2.gz OZZGXUUNTXXRAR-UHFFFAOYSA-N 1 3 355.507 2.572 20 0 FFADHO CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001340232029 1050638814 /nfs/dbraw/zinc/63/88/14/1050638814.db2.gz DAJSSNBVYKNQLC-SNRMKQJTSA-N 1 3 374.529 2.555 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc(Cl)n1 ZINC001342097221 1050692272 /nfs/dbraw/zinc/69/22/72/1050692272.db2.gz VBPAZPBEJRGMMN-HZPDHXFCSA-N 1 3 364.921 2.943 20 0 FFADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001303179689 1051295166 /nfs/dbraw/zinc/29/51/66/1051295166.db2.gz CEXGBXMUXPVPJW-IBGZPJMESA-N 1 3 370.497 2.664 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001341464881 1051819467 /nfs/dbraw/zinc/81/94/67/1051819467.db2.gz IBWGURBVPSFAIN-DBXWQHBBSA-N 1 3 357.498 2.656 20 0 FFADHO CNC(=O)CC[N@H+](C)C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001307454777 1052308313 /nfs/dbraw/zinc/30/83/13/1052308313.db2.gz BLOURXREMCPIHD-NRFANRHFSA-N 1 3 353.510 2.970 20 0 FFADHO CNC(=O)CC[N@@H+](C)C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001307454777 1052308316 /nfs/dbraw/zinc/30/83/16/1052308316.db2.gz BLOURXREMCPIHD-NRFANRHFSA-N 1 3 353.510 2.970 20 0 FFADHO CC(C)[C@@](O)(C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC001307665587 1052332650 /nfs/dbraw/zinc/33/26/50/1052332650.db2.gz JXVXWRPRIVICBL-QHCPKHFHSA-N 1 3 373.585 2.880 20 0 FFADHO COCC[C@H](CNC[C@@H](C)C[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC001308216713 1052432557 /nfs/dbraw/zinc/43/25/57/1052432557.db2.gz XORYUVKZIATSFD-IAGOWNOFSA-N 1 3 357.539 2.628 20 0 FFADHO COCC[C@H](C[NH2+]C[C@@H](C)CN1CCCCC1)NC(=O)OC(C)(C)C ZINC001308216713 1052432560 /nfs/dbraw/zinc/43/25/60/1052432560.db2.gz XORYUVKZIATSFD-IAGOWNOFSA-N 1 3 357.539 2.628 20 0 FFADHO C[NH+](C)Cc1ccc(CN2CCC[C@@](O)(C3CC3)C2)c2c1OC(F)(F)O2 ZINC001308861305 1052508919 /nfs/dbraw/zinc/50/89/19/1052508919.db2.gz YVVIIQVTRULGLR-SFHVURJKSA-N 1 3 368.424 2.807 20 0 FFADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC001308883217 1052512019 /nfs/dbraw/zinc/51/20/19/1052512019.db2.gz FXKPBWURBBNSEJ-HSZRJFAPSA-N 1 3 372.601 2.903 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001346584583 1053128389 /nfs/dbraw/zinc/12/83/89/1053128389.db2.gz OLUXKPSKMPUARE-IFMALSPDSA-N 1 3 370.541 2.825 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)N(C)C)cc1 ZINC001335569124 1053442214 /nfs/dbraw/zinc/44/22/14/1053442214.db2.gz GGMGCNLZVNWBIB-QGPMSJSTSA-N 1 3 364.559 2.556 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CC2(CC([NH3+])C2)C1)c1ccc(Cl)cc1 ZINC001335724776 1053524167 /nfs/dbraw/zinc/52/41/67/1053524167.db2.gz BADVLLOIVITYGO-HVEGKCCWSA-N 1 3 350.894 2.512 20 0 FFADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001543329360 1071448866 /nfs/dbraw/zinc/44/88/66/1071448866.db2.gz VCPRPLLPKMCMKN-UHFFFAOYSA-N 1 3 374.577 2.631 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@]12CC[NH2+]C2)c1cccc(OC)c1 ZINC001338436258 1055512892 /nfs/dbraw/zinc/51/28/92/1055512892.db2.gz KFZZRANBCZTJMR-FPOVZHCZSA-N 1 3 374.529 2.616 20 0 FFADHO C[N@@H+]1CC[C@H](CNC[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC001338450333 1055525618 /nfs/dbraw/zinc/52/56/18/1055525618.db2.gz VLGIWRHRLORBTA-IAQYHMDHSA-N 1 3 361.711 2.851 20 0 FFADHO C[N@H+]1CC[C@H](CNC[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC001338450333 1055525626 /nfs/dbraw/zinc/52/56/26/1055525626.db2.gz VLGIWRHRLORBTA-IAQYHMDHSA-N 1 3 361.711 2.851 20 0 FFADHO C[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCCC[C@H]1C ZINC000849061964 1055615251 /nfs/dbraw/zinc/61/52/51/1055615251.db2.gz HSVQBZWTWYESBE-IAGOWNOFSA-N 1 3 361.509 2.735 20 0 FFADHO [NH2+]=C(NCCOc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000849062381 1055616157 /nfs/dbraw/zinc/61/61/57/1055616157.db2.gz FKGBWSLCEAEBJF-UHFFFAOYSA-N 1 3 370.472 2.983 20 0 FFADHO O[C@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)COCc1ccc(Cl)cc1 ZINC001356620849 1055618942 /nfs/dbraw/zinc/61/89/42/1055618942.db2.gz GMHUDKKMXPUWHJ-UYAOXDASSA-N 1 3 366.933 2.929 20 0 FFADHO O[C@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)COCc1ccc(Cl)cc1 ZINC001356620849 1055618947 /nfs/dbraw/zinc/61/89/47/1055618947.db2.gz GMHUDKKMXPUWHJ-UYAOXDASSA-N 1 3 366.933 2.929 20 0 FFADHO [NH2+]=C(NCc1nccc(C(F)F)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000849078115 1055630584 /nfs/dbraw/zinc/63/05/84/1055630584.db2.gz TVRPUQDDJWORRE-UHFFFAOYSA-N 1 3 374.439 2.693 20 0 FFADHO COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2[NH2+]CC=C(C)C)cc1 ZINC001100155062 1055841273 /nfs/dbraw/zinc/84/12/73/1055841273.db2.gz SCMZGWGYAOIBQW-HBMCJLEFSA-N 1 3 371.525 2.640 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001338887908 1055905449 /nfs/dbraw/zinc/90/54/49/1055905449.db2.gz POVODLUNGVIZCP-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001357559591 1055944352 /nfs/dbraw/zinc/94/43/52/1055944352.db2.gz FUCYEICNWYKRNI-QWFCFKBJSA-N 1 3 358.530 2.538 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001339172063 1056164211 /nfs/dbraw/zinc/16/42/11/1056164211.db2.gz HSMXCSCEHUUMEF-SFTDATJTSA-N 1 3 372.557 2.578 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001513049414 1058176058 /nfs/dbraw/zinc/17/60/58/1058176058.db2.gz SJTSTWLMYPHADA-HKUYNNGSSA-N 1 3 374.577 2.665 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001513049414 1058176065 /nfs/dbraw/zinc/17/60/65/1058176065.db2.gz SJTSTWLMYPHADA-HKUYNNGSSA-N 1 3 374.577 2.665 20 0 FFADHO S=C(NCCN1CCCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001200444217 1058198401 /nfs/dbraw/zinc/19/84/01/1058198401.db2.gz FFUOQPKHIBUKIE-UHFFFAOYSA-N 1 3 352.592 2.591 20 0 FFADHO S=C(NCCN1CCCCC1)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001200446194 1058212560 /nfs/dbraw/zinc/21/25/60/1058212560.db2.gz KFLHYPMOMZPTTC-UHFFFAOYSA-N 1 3 366.619 2.839 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001545561856 1071800866 /nfs/dbraw/zinc/80/08/66/1071800866.db2.gz INAUSYYYDGACRU-SJORKVTESA-N 1 3 374.577 2.806 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001545561856 1071800885 /nfs/dbraw/zinc/80/08/85/1071800885.db2.gz INAUSYYYDGACRU-SJORKVTESA-N 1 3 374.577 2.806 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001546533962 1071832833 /nfs/dbraw/zinc/83/28/33/1071832833.db2.gz KVTBFMMFTGLBNI-LJQANCHMSA-N 1 3 374.577 2.780 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001546533962 1071832838 /nfs/dbraw/zinc/83/28/38/1071832838.db2.gz KVTBFMMFTGLBNI-LJQANCHMSA-N 1 3 374.577 2.780 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001454408802 1059529333 /nfs/dbraw/zinc/52/93/33/1059529333.db2.gz WSZQOHZACVINRV-BVSLBCMMSA-N 1 3 357.542 2.943 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001520518258 1059758065 /nfs/dbraw/zinc/75/80/65/1059758065.db2.gz KNNQHKVUQCVRMX-OALUTQOASA-N 1 3 374.577 2.665 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001520518258 1059758084 /nfs/dbraw/zinc/75/80/84/1059758084.db2.gz KNNQHKVUQCVRMX-OALUTQOASA-N 1 3 374.577 2.665 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001520518257 1059759373 /nfs/dbraw/zinc/75/93/73/1059759373.db2.gz KNNQHKVUQCVRMX-MOPGFXCFSA-N 1 3 374.577 2.665 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001520518257 1059759396 /nfs/dbraw/zinc/75/93/96/1059759396.db2.gz KNNQHKVUQCVRMX-MOPGFXCFSA-N 1 3 374.577 2.665 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)c2cccc3c2OCCNC3)C[N@@H+]1Cc1ccccc1 ZINC001521496541 1060619380 /nfs/dbraw/zinc/61/93/80/1060619380.db2.gz VXHINEFGPZPMJJ-VQIMIIECSA-N 1 3 365.477 2.561 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)c2cccc3c2OCCNC3)C[N@H+]1Cc1ccccc1 ZINC001521496541 1060619385 /nfs/dbraw/zinc/61/93/85/1060619385.db2.gz VXHINEFGPZPMJJ-VQIMIIECSA-N 1 3 365.477 2.561 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC001477286632 1061651850 /nfs/dbraw/zinc/65/18/50/1061651850.db2.gz AJUIVJHUQROMBM-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC001477286632 1061651860 /nfs/dbraw/zinc/65/18/60/1061651860.db2.gz AJUIVJHUQROMBM-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CCC(C)([NH+](C)C)CC1)Cc1ccccc1 ZINC001477467425 1061709500 /nfs/dbraw/zinc/70/95/00/1061709500.db2.gz INNJKCAHZFVSEC-OBXNSHGQSA-N 1 3 360.546 2.721 20 0 FFADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001477472529 1061713329 /nfs/dbraw/zinc/71/33/29/1061713329.db2.gz BNWWBBPMFZYFAB-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001477472529 1061713341 /nfs/dbraw/zinc/71/33/41/1061713341.db2.gz BNWWBBPMFZYFAB-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001477928071 1061839823 /nfs/dbraw/zinc/83/98/23/1061839823.db2.gz RQAOUWVBWHCZCS-UFYCRDLUSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001477928071 1061839837 /nfs/dbraw/zinc/83/98/37/1061839837.db2.gz RQAOUWVBWHCZCS-UFYCRDLUSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001478236600 1061951634 /nfs/dbraw/zinc/95/16/34/1061951634.db2.gz WLISGWQAIJZZOC-KVPLUYHFSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCN1C ZINC001478236600 1061951660 /nfs/dbraw/zinc/95/16/60/1061951660.db2.gz WLISGWQAIJZZOC-KVPLUYHFSA-N 1 3 358.530 2.679 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001479156278 1062254607 /nfs/dbraw/zinc/25/46/07/1062254607.db2.gz DZBRNTHCSFMYDU-SFTDATJTSA-N 1 3 372.557 2.943 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2)cc1 ZINC001479156836 1062258303 /nfs/dbraw/zinc/25/83/03/1062258303.db2.gz RZCCKJUTBOODAC-FQEVSTJZSA-N 1 3 370.541 2.839 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479476607 1062453042 /nfs/dbraw/zinc/45/30/42/1062453042.db2.gz MFKXSPHYVZRPRL-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479476607 1062453049 /nfs/dbraw/zinc/45/30/49/1062453049.db2.gz MFKXSPHYVZRPRL-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO Cc1ncsc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479573491 1062566450 /nfs/dbraw/zinc/56/64/50/1062566450.db2.gz SNORWDJJIWEYKQ-ZBFHGGJFSA-N 1 3 364.559 2.510 20 0 FFADHO CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001468005143 1063904867 /nfs/dbraw/zinc/90/48/67/1063904867.db2.gz KVMOIHYDMOBWPH-LJQANCHMSA-N 1 3 360.546 2.880 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001471508848 1064701266 /nfs/dbraw/zinc/70/12/66/1064701266.db2.gz LQGIAYHDXMVDLQ-FQEVSTJZSA-N 1 3 358.530 2.697 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001471508848 1064701278 /nfs/dbraw/zinc/70/12/78/1064701278.db2.gz LQGIAYHDXMVDLQ-FQEVSTJZSA-N 1 3 358.530 2.697 20 0 FFADHO CC(C)N1CCC[C@H](N2CCC3(CC2)C[C@H]([NH3+])c2ccccc2O3)C1=O ZINC001575700037 1078165189 /nfs/dbraw/zinc/16/51/89/1078165189.db2.gz NBDRKQPLHYGOPI-ROUUACIJSA-N 1 3 357.498 2.703 20 0 FFADHO C[C@@H]1CN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCN2CC=CCC2)CC(C)(C)C1 ZINC001576849998 1078281388 /nfs/dbraw/zinc/28/13/88/1078281388.db2.gz NXLWZOYOPIWZNB-OKZBNKHCSA-N 1 3 372.561 2.617 20 0 FFADHO CC[NH2+]C1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001577816860 1078404347 /nfs/dbraw/zinc/40/43/47/1078404347.db2.gz MLBNZPZARYZHRK-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH2+][C@H]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001578613335 1078503292 /nfs/dbraw/zinc/50/32/92/1078503292.db2.gz XGFNLBXDPXXJQF-ROUUACIJSA-N 1 3 374.508 2.642 20 0 FFADHO Cc1c(Br)cccc1CCN[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC001579516491 1078638194 /nfs/dbraw/zinc/63/81/94/1078638194.db2.gz NKORXFDMCJYRPO-CVEARBPZSA-N 1 3 353.304 2.786 20 0 FFADHO Clc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(Cl)n1 ZINC001579938681 1078722458 /nfs/dbraw/zinc/72/24/58/1078722458.db2.gz XWUYCAPLGILFES-GASCZTMLSA-N 1 3 355.313 2.789 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC001580184389 1078762345 /nfs/dbraw/zinc/76/23/45/1078762345.db2.gz XFBPMVJGDPLNGR-VQTJNVASSA-N 1 3 359.514 2.880 20 0 FFADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001580419026 1078800572 /nfs/dbraw/zinc/80/05/72/1078800572.db2.gz OHJILHZZMBVNLC-FYZZASKESA-N 1 3 367.468 2.647 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001548829078 1073453756 /nfs/dbraw/zinc/45/37/56/1073453756.db2.gz UONCXCHUYVDCIK-SFFNPBHPSA-N 1 3 354.498 2.750 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(C(C)(C)C)nc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423114 1074261499 /nfs/dbraw/zinc/26/14/99/1074261499.db2.gz HZXNDVCOXVXFFE-IIMDRIAPSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(C(C)(C)C)nc3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423114 1074261504 /nfs/dbraw/zinc/26/15/04/1074261504.db2.gz HZXNDVCOXVXFFE-IIMDRIAPSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ncc(C)c(OC)c3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550669037 1074426736 /nfs/dbraw/zinc/42/67/36/1074426736.db2.gz WQBKHZAAFAMLQR-LGYWMIHWSA-N 1 3 361.530 2.666 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ncc(C)c(OC)c3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550669037 1074426744 /nfs/dbraw/zinc/42/67/44/1074426744.db2.gz WQBKHZAAFAMLQR-LGYWMIHWSA-N 1 3 361.530 2.666 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001551237549 1074657811 /nfs/dbraw/zinc/65/78/11/1074657811.db2.gz UBTMZTZBPVBWCN-UHFFFAOYSA-N 1 3 354.498 2.995 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001551238383 1074658211 /nfs/dbraw/zinc/65/82/11/1074658211.db2.gz PJRIFHKRWNHDGZ-FYRZTWFESA-N 1 3 350.425 2.719 20 0 FFADHO Fc1cc(F)cc(O[C@H]2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)c1 ZINC001551396480 1074715259 /nfs/dbraw/zinc/71/52/59/1074715259.db2.gz IFONRMNIZGHGOW-WMZOPIPTSA-N 1 3 352.425 2.577 20 0 FFADHO [NH3+][C@H]1CC12CCC(NC(=O)NC[C@H](c1ccccc1)N1CCCC1)CC2 ZINC001551577036 1074761344 /nfs/dbraw/zinc/76/13/44/1074761344.db2.gz RHHGYVNYAKJZIK-LSNYBQGISA-N 1 3 356.514 2.783 20 0 FFADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C2 ZINC001552183422 1075012766 /nfs/dbraw/zinc/01/27/66/1075012766.db2.gz ILAZVHMOVQEEMD-DYXWJJEUSA-N 1 3 356.514 2.594 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553412272 1075302462 /nfs/dbraw/zinc/30/24/62/1075302462.db2.gz CXDOPEFCDZVULG-XUVXKRRUSA-N 1 3 356.514 2.607 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3C[C@H]([NH+](C)C)C3(C)C)cc2)CC1 ZINC001557153884 1075815574 /nfs/dbraw/zinc/81/55/74/1075815574.db2.gz CWDFWZCZLIAGDJ-UXHICEINSA-N 1 3 372.557 2.676 20 0 FFADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC001559567385 1076173102 /nfs/dbraw/zinc/17/31/02/1076173102.db2.gz BZKAMHYMGIBQPJ-CMKODMSKSA-N 1 3 354.535 2.525 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@H](C)C1 ZINC001560332888 1076264689 /nfs/dbraw/zinc/26/46/89/1076264689.db2.gz BBGFBAMYCABSOZ-UTKZUKDTSA-N 1 3 373.541 2.805 20 0 FFADHO COCC[C@H](C[N@@H+]1CCCC[C@H]1[C@H](C)CN(C)C)NC(=O)OC(C)(C)C ZINC001560947609 1076312666 /nfs/dbraw/zinc/31/26/66/1076312666.db2.gz CQGWLCJDYLFOIV-KURKYZTESA-N 1 3 371.566 2.968 20 0 FFADHO COCC[C@H](C[N@H+]1CCCC[C@H]1[C@H](C)CN(C)C)NC(=O)OC(C)(C)C ZINC001560947609 1076312670 /nfs/dbraw/zinc/31/26/70/1076312670.db2.gz CQGWLCJDYLFOIV-KURKYZTESA-N 1 3 371.566 2.968 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](C)[NH+]3CCCCC3)C2)cc1 ZINC001563704985 1076576760 /nfs/dbraw/zinc/57/67/60/1076576760.db2.gz NJWXTAZWWFRIMY-AZUAARDMSA-N 1 3 358.530 2.743 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001563783669 1076583541 /nfs/dbraw/zinc/58/35/41/1076583541.db2.gz PLAZNIUUZCJPEA-IBGZPJMESA-N 1 3 372.557 2.995 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001563783669 1076583546 /nfs/dbraw/zinc/58/35/46/1076583546.db2.gz PLAZNIUUZCJPEA-IBGZPJMESA-N 1 3 372.557 2.995 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[N@@H+](C(C)C)CC3)C2)cc1 ZINC001565244343 1076703020 /nfs/dbraw/zinc/70/30/20/1076703020.db2.gz FEYRPLIOLOJEHI-HXUWFJFHSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[N@H+](C(C)C)CC3)C2)cc1 ZINC001565244343 1076703022 /nfs/dbraw/zinc/70/30/22/1076703022.db2.gz FEYRPLIOLOJEHI-HXUWFJFHSA-N 1 3 358.530 2.695 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCc2cccc(F)c2)[C@@H]1C)N(C)C ZINC001566111270 1076914917 /nfs/dbraw/zinc/91/49/17/1076914917.db2.gz YHZSKCJAOSCRLV-UXPWSPDFSA-N 1 3 363.521 2.924 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCc2cccc(F)c2)[C@@H]1C)N(C)C ZINC001566111270 1076914921 /nfs/dbraw/zinc/91/49/21/1076914921.db2.gz YHZSKCJAOSCRLV-UXPWSPDFSA-N 1 3 363.521 2.924 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001567498277 1077032309 /nfs/dbraw/zinc/03/23/09/1077032309.db2.gz BYKHEUQYLVVFDN-RBUKOAKNSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccccc2OC2CC2)CC[N@H+]1C ZINC001567498277 1077032313 /nfs/dbraw/zinc/03/23/13/1077032313.db2.gz BYKHEUQYLVVFDN-RBUKOAKNSA-N 1 3 359.514 2.506 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H]4C[C@H](C)C[N@@H+]4C3)cc2)CC1 ZINC001587259143 1079763097 /nfs/dbraw/zinc/76/30/97/1079763097.db2.gz GUJRWLSWZSQOIK-UEXGIBASSA-N 1 3 370.541 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H]4C[C@H](C)C[N@H+]4C3)cc2)CC1 ZINC001587259143 1079763103 /nfs/dbraw/zinc/76/31/03/1079763103.db2.gz GUJRWLSWZSQOIK-UEXGIBASSA-N 1 3 370.541 2.887 20 0 FFADHO C[C@@H]1CN(Cc2ccc(-c3cnn(C)c3)s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374996390 512111757 /nfs/dbraw/zinc/11/17/57/512111757.db2.gz PNXXSPPQBCKFNT-VQIMIIECSA-N 1 3 373.570 2.606 20 0 FFADHO C[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)C(C)(C)C[NH+](C)C ZINC000093136027 250017054 /nfs/dbraw/zinc/01/70/54/250017054.db2.gz JWFSCWSRMXBEDT-MRXNPFEDSA-N 1 3 361.534 2.574 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000103298863 250143566 /nfs/dbraw/zinc/14/35/66/250143566.db2.gz SKXQUOIELASZDS-QGZVFWFLSA-N 1 3 364.559 2.916 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[N@H+](C)C1CC1 ZINC000105209267 250203985 /nfs/dbraw/zinc/20/39/85/250203985.db2.gz QRKWQMVJDKEMSI-JKSUJKDBSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[N@@H+](C)C1CC1 ZINC000105209267 250203991 /nfs/dbraw/zinc/20/39/91/250203991.db2.gz QRKWQMVJDKEMSI-JKSUJKDBSA-N 1 3 364.559 2.742 20 0 FFADHO COCCN1CCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163111457 251171181 /nfs/dbraw/zinc/17/11/81/251171181.db2.gz HMNMJLHOXPVPIZ-FQEVSTJZSA-N 1 3 373.541 2.516 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000181104392 251242271 /nfs/dbraw/zinc/24/22/71/251242271.db2.gz YAJZBVWQIVJJLF-OLMNPRSZSA-N 1 3 356.457 2.725 20 0 FFADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cccnc1Cl ZINC000268837161 251396061 /nfs/dbraw/zinc/39/60/61/251396061.db2.gz UUKPUIQREVWBKD-INIZCTEOSA-N 1 3 359.905 2.993 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc(N2CCCS2(=O)=O)c1 ZINC000268783961 251384456 /nfs/dbraw/zinc/38/44/56/251384456.db2.gz RCAXWNICWPNUHR-IPELMVKDSA-N 1 3 363.527 2.504 20 0 FFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000268792191 251386108 /nfs/dbraw/zinc/38/61/08/251386108.db2.gz DMFJCZKXYTVFNG-KRWDZBQOSA-N 1 3 360.502 2.559 20 0 FFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000268792191 251386113 /nfs/dbraw/zinc/38/61/13/251386113.db2.gz DMFJCZKXYTVFNG-KRWDZBQOSA-N 1 3 360.502 2.559 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCN(C)CC1 ZINC000268789895 251386828 /nfs/dbraw/zinc/38/68/28/251386828.db2.gz XJTZPYWPCDBLBO-PUHATCMVSA-N 1 3 372.601 2.759 20 0 FFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268797598 251388441 /nfs/dbraw/zinc/38/84/41/251388441.db2.gz GOFNTSVRPYXIDA-KRWDZBQOSA-N 1 3 360.502 2.618 20 0 FFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268797598 251388446 /nfs/dbraw/zinc/38/84/46/251388446.db2.gz GOFNTSVRPYXIDA-KRWDZBQOSA-N 1 3 360.502 2.618 20 0 FFADHO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272407583 252031087 /nfs/dbraw/zinc/03/10/87/252031087.db2.gz FHARPDUDNRDIGJ-FXAWDEMLSA-N 1 3 367.493 2.551 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272579897 252072391 /nfs/dbraw/zinc/07/23/91/252072391.db2.gz UYXNQNRSFRZMBK-ZFMNYDKASA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272579897 252072392 /nfs/dbraw/zinc/07/23/92/252072392.db2.gz UYXNQNRSFRZMBK-ZFMNYDKASA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272579882 252072846 /nfs/dbraw/zinc/07/28/46/252072846.db2.gz UYXNQNRSFRZMBK-JYRKZWEQSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272579882 252072847 /nfs/dbraw/zinc/07/28/47/252072847.db2.gz UYXNQNRSFRZMBK-JYRKZWEQSA-N 1 3 372.557 2.879 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2(N4CCOCC4)CC2)C3)cc1 ZINC000278562732 256325589 /nfs/dbraw/zinc/32/55/89/256325589.db2.gz WRUIWEFXMOFALT-WKCHPHFGSA-N 1 3 355.526 2.636 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2(N4CCOCC4)CC2)C3)cc1 ZINC000278562732 256325591 /nfs/dbraw/zinc/32/55/91/256325591.db2.gz WRUIWEFXMOFALT-WKCHPHFGSA-N 1 3 355.526 2.636 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000285219902 256974801 /nfs/dbraw/zinc/97/48/01/256974801.db2.gz OWBJFVKEYBABSJ-OAQYLSRUSA-N 1 3 367.493 2.851 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288322278 257175597 /nfs/dbraw/zinc/17/55/97/257175597.db2.gz UYWXJAKXZRZYKI-YRIAPGLZSA-N 1 3 370.541 2.774 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288322278 257175599 /nfs/dbraw/zinc/17/55/99/257175599.db2.gz UYWXJAKXZRZYKI-YRIAPGLZSA-N 1 3 370.541 2.774 20 0 FFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000289479220 257283119 /nfs/dbraw/zinc/28/31/19/257283119.db2.gz ROXRDHTVNCTWML-UHFFFAOYSA-N 1 3 374.573 2.628 20 0 FFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000289479220 257283120 /nfs/dbraw/zinc/28/31/20/257283120.db2.gz ROXRDHTVNCTWML-UHFFFAOYSA-N 1 3 374.573 2.628 20 0 FFADHO COC(=O)CN1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000290904179 257363636 /nfs/dbraw/zinc/36/36/36/257363636.db2.gz MJHVSYFLLZSXTN-HXUWFJFHSA-N 1 3 373.541 2.516 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cnc21 ZINC000333136663 258251741 /nfs/dbraw/zinc/25/17/41/258251741.db2.gz KIJIHPZZHKITJZ-RTBURBONSA-N 1 3 357.502 2.731 20 0 FFADHO O=C1CC[C@@H](N[C@H]2CCSc3c(F)cccc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333249406 258258392 /nfs/dbraw/zinc/25/83/92/258258392.db2.gz GLINACHDWSHVJT-JZXOWHBKSA-N 1 3 363.502 2.599 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000373102943 512172476 /nfs/dbraw/zinc/17/24/76/512172476.db2.gz XPBKSAWZBFKOFB-GIVPXCGWSA-N 1 3 370.541 2.777 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000410309895 512237059 /nfs/dbraw/zinc/23/70/59/512237059.db2.gz DYJNUQQUAQIDLG-LEWJYISDSA-N 1 3 370.541 2.620 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000410309895 512237065 /nfs/dbraw/zinc/23/70/65/512237065.db2.gz DYJNUQQUAQIDLG-LEWJYISDSA-N 1 3 370.541 2.620 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000054510593 506570099 /nfs/dbraw/zinc/57/00/99/506570099.db2.gz UFOOSYZBEVVLKO-NLWGTHIKSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000054510593 506570104 /nfs/dbraw/zinc/57/01/04/506570104.db2.gz UFOOSYZBEVVLKO-NLWGTHIKSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000054510335 506570441 /nfs/dbraw/zinc/57/04/41/506570441.db2.gz HHOVEIMRWKYEIK-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000054510335 506570448 /nfs/dbraw/zinc/57/04/48/506570448.db2.gz HHOVEIMRWKYEIK-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCCC[NH+]1CCCC1)c1ccsc1 ZINC000045121643 506921196 /nfs/dbraw/zinc/92/11/96/506921196.db2.gz OYUYRIQVUBGPCC-QGZVFWFLSA-N 1 3 352.548 2.916 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000067570146 506931031 /nfs/dbraw/zinc/93/10/31/506931031.db2.gz ABSRWFLQYRKCJJ-PWRODBHTSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000067570146 506931034 /nfs/dbraw/zinc/93/10/34/506931034.db2.gz ABSRWFLQYRKCJJ-PWRODBHTSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000377520340 512308249 /nfs/dbraw/zinc/30/82/49/512308249.db2.gz SPXRURFWAGUYPG-GUDVDZBRSA-N 1 3 350.551 2.624 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000067734605 506991972 /nfs/dbraw/zinc/99/19/72/506991972.db2.gz NZXVIJQUWOFXPS-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067734605 506991979 /nfs/dbraw/zinc/99/19/79/506991979.db2.gz NZXVIJQUWOFXPS-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000067773203 507003858 /nfs/dbraw/zinc/00/38/58/507003858.db2.gz GFTRVPZDJCVZQN-IBGZPJMESA-N 1 3 372.557 2.930 20 0 FFADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2ccncc2)CC1 ZINC000057137870 507182272 /nfs/dbraw/zinc/18/22/72/507182272.db2.gz AJPGFMQFFDQVMB-UHFFFAOYSA-N 1 3 364.493 2.642 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058212042 507387710 /nfs/dbraw/zinc/38/77/10/507387710.db2.gz GXUUHRUJKQICEJ-OAQYLSRUSA-N 1 3 370.541 2.921 20 0 FFADHO O[C@@H](COCc1ccccc1F)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972339 507428342 /nfs/dbraw/zinc/42/83/42/507428342.db2.gz VZBLNZLHGBIXBP-LJQANCHMSA-N 1 3 350.478 2.511 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000069215982 507437412 /nfs/dbraw/zinc/43/74/12/507437412.db2.gz IYQYWHDEIJZCKA-UHFFFAOYSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000048394997 507516344 /nfs/dbraw/zinc/51/63/44/507516344.db2.gz OHMBMVFKRZCYIJ-UHFFFAOYSA-N 1 3 358.530 2.953 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000048394997 507516352 /nfs/dbraw/zinc/51/63/52/507516352.db2.gz OHMBMVFKRZCYIJ-UHFFFAOYSA-N 1 3 358.530 2.953 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000051299487 507759772 /nfs/dbraw/zinc/75/97/72/507759772.db2.gz UKDWZYXZBDYOEY-WOJBJXKFSA-N 1 3 374.504 2.539 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCCN(C)C3)cc2)CC1 ZINC000052523466 507812042 /nfs/dbraw/zinc/81/20/42/507812042.db2.gz YXNFWJOVPZNGLA-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072815231 507856841 /nfs/dbraw/zinc/85/68/41/507856841.db2.gz XLQXTGFISLDQKX-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072815231 507856845 /nfs/dbraw/zinc/85/68/45/507856845.db2.gz XLQXTGFISLDQKX-HXUWFJFHSA-N 1 3 372.557 2.579 20 0 FFADHO CCN(C)C[C@H]1CC[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000072858904 507865106 /nfs/dbraw/zinc/86/51/06/507865106.db2.gz SGMAVUXAPBHKDR-GOSISDBHSA-N 1 3 356.518 2.784 20 0 FFADHO CCN(C)C[C@H]1CC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000072858904 507865109 /nfs/dbraw/zinc/86/51/09/507865109.db2.gz SGMAVUXAPBHKDR-GOSISDBHSA-N 1 3 356.518 2.784 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000072858904 507865113 /nfs/dbraw/zinc/86/51/13/507865113.db2.gz SGMAVUXAPBHKDR-GOSISDBHSA-N 1 3 356.518 2.784 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000072858904 507865116 /nfs/dbraw/zinc/86/51/16/507865116.db2.gz SGMAVUXAPBHKDR-GOSISDBHSA-N 1 3 356.518 2.784 20 0 FFADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000090028481 507903014 /nfs/dbraw/zinc/90/30/14/507903014.db2.gz WZSVKEYKHJZBPU-QGZVFWFLSA-N 1 3 352.482 2.758 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000079066293 507930046 /nfs/dbraw/zinc/93/00/46/507930046.db2.gz XRYUOCAKBOOFQC-UHFFFAOYSA-N 1 3 360.502 2.512 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(OCCN(C)C)cc1 ZINC000090802062 507936760 /nfs/dbraw/zinc/93/67/60/507936760.db2.gz BQKMFAPEARNDGX-IEBWSBKVSA-N 1 3 354.498 2.952 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCCC[NH+](CC)CC)cc2)CC1 ZINC000073640346 507941879 /nfs/dbraw/zinc/94/18/79/507941879.db2.gz KFNMFTMMVUIKAV-UHFFFAOYSA-N 1 3 360.546 2.680 20 0 FFADHO CN(C)CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000091233120 507972275 /nfs/dbraw/zinc/97/22/75/507972275.db2.gz LQSBHGHOMGWNFQ-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000074160910 507992701 /nfs/dbraw/zinc/99/27/01/507992701.db2.gz WFTZTBVYHPDXQY-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000074160910 507992703 /nfs/dbraw/zinc/99/27/03/507992703.db2.gz WFTZTBVYHPDXQY-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccccc1F)C[NH+]1CCCC1 ZINC000080051877 508030595 /nfs/dbraw/zinc/03/05/95/508030595.db2.gz IFHRWYJTWIOMSP-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000080109581 508039363 /nfs/dbraw/zinc/03/93/63/508039363.db2.gz UJVPVOGNKPGXFM-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000080109581 508039366 /nfs/dbraw/zinc/03/93/66/508039366.db2.gz UJVPVOGNKPGXFM-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000111420798 508097458 /nfs/dbraw/zinc/09/74/58/508097458.db2.gz BFFNPEJVADFCKT-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000111420798 508097459 /nfs/dbraw/zinc/09/74/59/508097459.db2.gz BFFNPEJVADFCKT-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000075329089 508098464 /nfs/dbraw/zinc/09/84/64/508098464.db2.gz SKAPIMAVJMCYAS-IBGZPJMESA-N 1 3 372.557 2.632 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000075329089 508098466 /nfs/dbraw/zinc/09/84/66/508098466.db2.gz SKAPIMAVJMCYAS-IBGZPJMESA-N 1 3 372.557 2.632 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000112750400 508220392 /nfs/dbraw/zinc/22/03/92/508220392.db2.gz YRUDEIJEDYOXAH-SEJPIABJSA-N 1 3 370.541 2.919 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000112750400 508220393 /nfs/dbraw/zinc/22/03/93/508220393.db2.gz YRUDEIJEDYOXAH-SEJPIABJSA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000101518524 508242405 /nfs/dbraw/zinc/24/24/05/508242405.db2.gz NEAHDYGXOCYKMS-QGZVFWFLSA-N 1 3 360.477 2.795 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000101518524 508242408 /nfs/dbraw/zinc/24/24/08/508242408.db2.gz NEAHDYGXOCYKMS-QGZVFWFLSA-N 1 3 360.477 2.795 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000077202909 508287135 /nfs/dbraw/zinc/28/71/35/508287135.db2.gz HOWPGCCDRQRFEN-UHFFFAOYSA-N 1 3 364.559 2.740 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000077202909 508287139 /nfs/dbraw/zinc/28/71/39/508287139.db2.gz HOWPGCCDRQRFEN-UHFFFAOYSA-N 1 3 364.559 2.740 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103212151 508302280 /nfs/dbraw/zinc/30/22/80/508302280.db2.gz PARBSQVVAIOZSO-DLBZAZTESA-N 1 3 371.447 2.761 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C1CC1 ZINC000105270051 508367941 /nfs/dbraw/zinc/36/79/41/508367941.db2.gz PUTSXYCNLUYJRE-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCC[N@H+](CCCNCc2ccc(F)c(Br)c2)CC1 ZINC000105477001 508374235 /nfs/dbraw/zinc/37/42/35/508374235.db2.gz ULUVPLNDERHKSR-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2ccc(F)c(Br)c2)CC1 ZINC000105477001 508374237 /nfs/dbraw/zinc/37/42/37/508374237.db2.gz ULUVPLNDERHKSR-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000127239443 508419250 /nfs/dbraw/zinc/41/92/50/508419250.db2.gz LGNVESGERIOMKW-SJLPKXTDSA-N 1 3 350.551 2.669 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000115789060 508437200 /nfs/dbraw/zinc/43/72/00/508437200.db2.gz ZUBRWQRCKVZFDW-FQEVSTJZSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115798910 508439019 /nfs/dbraw/zinc/43/90/19/508439019.db2.gz LWFOJRICCJARRX-GUDVDZBRSA-N 1 3 352.567 2.728 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)cc2)CC1 ZINC000156600176 508447902 /nfs/dbraw/zinc/44/79/02/508447902.db2.gz MUWJBVGGRWMJAE-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133785243 508449136 /nfs/dbraw/zinc/44/91/36/508449136.db2.gz RCDXBJGQZIBABZ-SJORKVTESA-N 1 3 361.534 2.637 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[NH+]1CCC(C)CC1 ZINC000122134893 508486839 /nfs/dbraw/zinc/48/68/39/508486839.db2.gz XRSSUZJCWLWJEI-GOSISDBHSA-N 1 3 352.544 2.951 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000116548619 508528124 /nfs/dbraw/zinc/52/81/24/508528124.db2.gz JXZUJAPALDXLCV-ROUUACIJSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000116548619 508528128 /nfs/dbraw/zinc/52/81/28/508528128.db2.gz JXZUJAPALDXLCV-ROUUACIJSA-N 1 3 358.530 2.853 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000128022127 508536026 /nfs/dbraw/zinc/53/60/26/508536026.db2.gz ROLLEKQXPLCYRE-ZFWWWQNUSA-N 1 3 353.894 2.587 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000157687535 508597798 /nfs/dbraw/zinc/59/77/98/508597798.db2.gz LBNPKROQEDTDOE-UHFFFAOYSA-N 1 3 360.546 2.930 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000157786925 508611822 /nfs/dbraw/zinc/61/18/22/508611822.db2.gz PZEQIEMJGNFTFH-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000157786925 508611825 /nfs/dbraw/zinc/61/18/25/508611825.db2.gz PZEQIEMJGNFTFH-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1CN(CCN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCO1 ZINC000367254019 512408263 /nfs/dbraw/zinc/40/82/63/512408263.db2.gz VFZWUPLEWGQNHT-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1CN(CCN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000367254019 512408267 /nfs/dbraw/zinc/40/82/67/512408267.db2.gz VFZWUPLEWGQNHT-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1CN(CC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCO1 ZINC000367254019 512408272 /nfs/dbraw/zinc/40/82/72/512408272.db2.gz VFZWUPLEWGQNHT-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1CN(CC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCO1 ZINC000367254019 512408276 /nfs/dbraw/zinc/40/82/76/512408276.db2.gz VFZWUPLEWGQNHT-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000158094029 508656268 /nfs/dbraw/zinc/65/62/68/508656268.db2.gz IFDQBJXZRSLDDQ-VNHYZAJKSA-N 1 3 353.894 2.996 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000158094029 508656272 /nfs/dbraw/zinc/65/62/72/508656272.db2.gz IFDQBJXZRSLDDQ-VNHYZAJKSA-N 1 3 353.894 2.996 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000158212377 508672692 /nfs/dbraw/zinc/67/26/92/508672692.db2.gz BLVJDJHVUVSFJH-UHFFFAOYSA-N 1 3 366.575 2.942 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158286629 508683589 /nfs/dbraw/zinc/68/35/89/508683589.db2.gz ILXFCXZCZMQBFL-SOAGJPPSSA-N 1 3 360.546 2.579 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+](CCO)Cc2ccccc2)CC1 ZINC000158331102 508689573 /nfs/dbraw/zinc/68/95/73/508689573.db2.gz RDIDIMFETFDBFY-UHFFFAOYSA-N 1 3 353.510 2.823 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+](CCO)Cc2ccccc2)CC1 ZINC000158331102 508689574 /nfs/dbraw/zinc/68/95/74/508689574.db2.gz RDIDIMFETFDBFY-UHFFFAOYSA-N 1 3 353.510 2.823 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000367265120 512414967 /nfs/dbraw/zinc/41/49/67/512414967.db2.gz SIEATNOPEBVMDH-BZSNNMDCSA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000367265120 512414972 /nfs/dbraw/zinc/41/49/72/512414972.db2.gz SIEATNOPEBVMDH-BZSNNMDCSA-N 1 3 364.921 2.869 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)N(C)C)cc1 ZINC000137849343 508765723 /nfs/dbraw/zinc/76/57/23/508765723.db2.gz WKPWUKDGWJOBLL-AABGKKOBSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)N(C)C)cc1 ZINC000137849343 508765725 /nfs/dbraw/zinc/76/57/25/508765725.db2.gz WKPWUKDGWJOBLL-AABGKKOBSA-N 1 3 358.530 2.723 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000141528488 508816271 /nfs/dbraw/zinc/81/62/71/508816271.db2.gz JPCFABOQWWDAAI-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000141528488 508816272 /nfs/dbraw/zinc/81/62/72/508816272.db2.gz JPCFABOQWWDAAI-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CC[N@H+](CCNC(=O)Nc1ccc(C)cc1OCCN(C)C)C(C)C ZINC000154610994 508818568 /nfs/dbraw/zinc/81/85/68/508818568.db2.gz CTLGHURXSNLWTI-UHFFFAOYSA-N 1 3 350.507 2.787 20 0 FFADHO CC[N@@H+](CCNC(=O)Nc1ccc(C)cc1OCCN(C)C)C(C)C ZINC000154610994 508818569 /nfs/dbraw/zinc/81/85/69/508818569.db2.gz CTLGHURXSNLWTI-UHFFFAOYSA-N 1 3 350.507 2.787 20 0 FFADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000124349347 508818691 /nfs/dbraw/zinc/81/86/91/508818691.db2.gz SBGLHNXCMGQBJN-IRXDYDNUSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000154669720 508830762 /nfs/dbraw/zinc/83/07/62/508830762.db2.gz RCHBHWMHSJKHPN-JTNHKYCSSA-N 1 3 355.276 2.996 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000150953727 508930402 /nfs/dbraw/zinc/93/04/02/508930402.db2.gz KOEWXDTXRUXORX-MRXNPFEDSA-N 1 3 373.545 2.647 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1[C@H](C)CC[C@H]1C ZINC000125214655 508949728 /nfs/dbraw/zinc/94/97/28/508949728.db2.gz LNZIPIAUOCGAOO-DCXXXQMHSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1[C@H](C)CC[C@H]1C ZINC000125214655 508949730 /nfs/dbraw/zinc/94/97/30/508949730.db2.gz LNZIPIAUOCGAOO-DCXXXQMHSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@]1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCN1Cc1ccccc1 ZINC000155275621 508963841 /nfs/dbraw/zinc/96/38/41/508963841.db2.gz UESVGVNULDNPLH-SIKLNZKXSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@]1(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCN1Cc1ccccc1 ZINC000155275621 508963844 /nfs/dbraw/zinc/96/38/44/508963844.db2.gz UESVGVNULDNPLH-SIKLNZKXSA-N 1 3 370.541 2.825 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000151652142 509059986 /nfs/dbraw/zinc/05/99/86/509059986.db2.gz SXPRVGPGPPASDH-ROUUACIJSA-N 1 3 353.551 2.503 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC000120938801 509093505 /nfs/dbraw/zinc/09/35/05/509093505.db2.gz RNABVPIRPPIFKZ-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN2CCCC2)c(OC)c1 ZINC000120938801 509093509 /nfs/dbraw/zinc/09/35/09/509093509.db2.gz RNABVPIRPPIFKZ-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000132951057 509095737 /nfs/dbraw/zinc/09/57/37/509095737.db2.gz MZEWDOXEWIRAQF-DLBZAZTESA-N 1 3 373.497 2.795 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000156078726 509122811 /nfs/dbraw/zinc/12/28/11/509122811.db2.gz VSEYMNOSLOHVDZ-KCZVDYSFSA-N 1 3 358.574 2.907 20 0 FFADHO O=C(NCCc1cccs1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161733134 509148859 /nfs/dbraw/zinc/14/88/59/509148859.db2.gz RUWTZXLRHNMNSB-UHFFFAOYSA-N 1 3 363.571 2.995 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000127004660 509157701 /nfs/dbraw/zinc/15/77/01/509157701.db2.gz SUDKAGFTDNIQDM-RLHVNXBHSA-N 1 3 372.557 2.927 20 0 FFADHO C[N@H+](CCOc1cccc(CNCC2=CCCOC2)c1)C1CCOCC1 ZINC000127020269 509159594 /nfs/dbraw/zinc/15/95/94/509159594.db2.gz UKTHKVGQLNYBKV-UHFFFAOYSA-N 1 3 360.498 2.613 20 0 FFADHO C[N@@H+](CCOc1cccc(CNCC2=CCCOC2)c1)C1CCOCC1 ZINC000127020269 509159598 /nfs/dbraw/zinc/15/95/98/509159598.db2.gz UKTHKVGQLNYBKV-UHFFFAOYSA-N 1 3 360.498 2.613 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000121299555 509164289 /nfs/dbraw/zinc/16/42/89/509164289.db2.gz OPPXNULCYAIUFG-RBUKOAKNSA-N 1 3 355.530 2.797 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000248386180 509283848 /nfs/dbraw/zinc/28/38/48/509283848.db2.gz LNZIPIAUOCGAOO-BMQTXXJKSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000248386180 509283851 /nfs/dbraw/zinc/28/38/51/509283851.db2.gz LNZIPIAUOCGAOO-BMQTXXJKSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248388735 509286270 /nfs/dbraw/zinc/28/62/70/509286270.db2.gz ACQBXASILCJDJS-PNYFIKQUSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248388735 509286278 /nfs/dbraw/zinc/28/62/78/509286278.db2.gz ACQBXASILCJDJS-PNYFIKQUSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H]([C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCOCC1 ZINC000248415638 509307543 /nfs/dbraw/zinc/30/75/43/509307543.db2.gz OLKBIVJGZHIRSM-OMTGHCCBSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H]([C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)N1CCOCC1 ZINC000248415638 509307547 /nfs/dbraw/zinc/30/75/47/509307547.db2.gz OLKBIVJGZHIRSM-OMTGHCCBSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H]([C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)N1CCOCC1 ZINC000248415638 509307551 /nfs/dbraw/zinc/30/75/51/509307551.db2.gz OLKBIVJGZHIRSM-OMTGHCCBSA-N 1 3 357.542 2.596 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3SCCc4ccccc43)CC2)CC1 ZINC000172929838 509311775 /nfs/dbraw/zinc/31/17/75/509311775.db2.gz VWBPJLHJTWMGGL-HXUWFJFHSA-N 1 3 373.566 2.692 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000248427287 509314455 /nfs/dbraw/zinc/31/44/55/509314455.db2.gz ADQIINGKXHDEKG-OXJNMPFZSA-N 1 3 368.477 2.875 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000248427287 509314461 /nfs/dbraw/zinc/31/44/61/509314461.db2.gz ADQIINGKXHDEKG-OXJNMPFZSA-N 1 3 368.477 2.875 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179260683 509344400 /nfs/dbraw/zinc/34/44/00/509344400.db2.gz XICMIHFINYKNKB-MISYRCLQSA-N 1 3 358.530 2.805 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179260683 509344408 /nfs/dbraw/zinc/34/44/08/509344408.db2.gz XICMIHFINYKNKB-MISYRCLQSA-N 1 3 358.530 2.805 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000163500171 509384846 /nfs/dbraw/zinc/38/48/46/509384846.db2.gz UHMNKMVBCOOQRX-UTKZUKDTSA-N 1 3 373.541 2.974 20 0 FFADHO CC[C@@H](Oc1cccc(C)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176289379 509425432 /nfs/dbraw/zinc/42/54/32/509425432.db2.gz VXMQKQWRGFIONN-OAQYLSRUSA-N 1 3 373.541 2.827 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cnccn1 ZINC000163931463 509441661 /nfs/dbraw/zinc/44/16/61/509441661.db2.gz PFIIVSRHNKMBGC-LJQANCHMSA-N 1 3 353.514 2.725 20 0 FFADHO CC[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000163934876 509443338 /nfs/dbraw/zinc/44/33/38/509443338.db2.gz CRXLGRBQJHCHEJ-VXKWHMMOSA-N 1 3 359.558 2.989 20 0 FFADHO CC(C)[C@H](CNC(=O)CCC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236656730 509472781 /nfs/dbraw/zinc/47/27/81/509472781.db2.gz GABKNMHAQBHGFN-NRFANRHFSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182901502 509485939 /nfs/dbraw/zinc/48/59/39/509485939.db2.gz PSTPQFRCFSONOV-MSOLQXFVSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182901502 509485945 /nfs/dbraw/zinc/48/59/45/509485945.db2.gz PSTPQFRCFSONOV-MSOLQXFVSA-N 1 3 362.562 2.909 20 0 FFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](CN)c3ccccc3)cc21 ZINC000237001013 509549220 /nfs/dbraw/zinc/54/92/20/509549220.db2.gz TZNIDADKZFHGMA-LJQANCHMSA-N 1 3 350.466 2.884 20 0 FFADHO CN1[C@@H]2CC[C@H]1CC([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)C2 ZINC000248990245 509566526 /nfs/dbraw/zinc/56/65/26/509566526.db2.gz NFNKUCACAWCIEB-LQCXBHPOSA-N 1 3 356.558 2.580 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000165310984 509567199 /nfs/dbraw/zinc/56/71/99/509567199.db2.gz GPIZIUZVCJCNBY-HZPDHXFCSA-N 1 3 353.532 2.831 20 0 FFADHO C[N@H+](Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1)C1CCCCC1 ZINC000165882857 509586162 /nfs/dbraw/zinc/58/61/62/509586162.db2.gz WIKSOJYBABASTK-NRFANRHFSA-N 1 3 373.541 2.836 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1)C1CCCCC1 ZINC000165882857 509586169 /nfs/dbraw/zinc/58/61/69/509586169.db2.gz WIKSOJYBABASTK-NRFANRHFSA-N 1 3 373.541 2.836 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000176591230 509598709 /nfs/dbraw/zinc/59/87/09/509598709.db2.gz WBRAAHRNVWLZNA-VQTJNVASSA-N 1 3 360.546 2.941 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(OCCN(C)C)cc1 ZINC000166460111 509608490 /nfs/dbraw/zinc/60/84/90/509608490.db2.gz RJLKCGYIWDZUOA-MJGOQNOKSA-N 1 3 371.529 2.680 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000237292966 509614135 /nfs/dbraw/zinc/61/41/35/509614135.db2.gz AGVOJUXSXDVYHQ-OAHLLOKOSA-N 1 3 363.502 2.883 20 0 FFADHO CC(C)[C@H](CO)[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192753684 509628923 /nfs/dbraw/zinc/62/89/23/509628923.db2.gz ACPVRRSLGXSFKL-QFIPXVFZSA-N 1 3 361.574 2.922 20 0 FFADHO CC(C)[C@H](CO)[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192753684 509628926 /nfs/dbraw/zinc/62/89/26/509628926.db2.gz ACPVRRSLGXSFKL-QFIPXVFZSA-N 1 3 361.574 2.922 20 0 FFADHO COC(=O)[C@@H](C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192772546 509639046 /nfs/dbraw/zinc/63/90/46/509639046.db2.gz MTDNFBPLVIYMDW-ICSRJNTNSA-N 1 3 361.530 2.543 20 0 FFADHO COc1ccc([C@@H](CNC(=O)CCC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000237486716 509661273 /nfs/dbraw/zinc/66/12/73/509661273.db2.gz GATQEMMETDIWGY-HXUWFJFHSA-N 1 3 359.514 2.728 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)C[C@H](C)O1 ZINC000249368002 509662534 /nfs/dbraw/zinc/66/25/34/509662534.db2.gz OPYIBGUEXUFPBR-LZWOXQAQSA-N 1 3 352.441 2.511 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237564064 509680167 /nfs/dbraw/zinc/68/01/67/509680167.db2.gz UKVPUQAWVJNIBT-WMQCIHAUSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237564064 509680175 /nfs/dbraw/zinc/68/01/75/509680175.db2.gz UKVPUQAWVJNIBT-WMQCIHAUSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000237618338 509691465 /nfs/dbraw/zinc/69/14/65/509691465.db2.gz QWDMHVQRIHHDOI-DYESRHJHSA-N 1 3 369.509 2.969 20 0 FFADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179981960 509697799 /nfs/dbraw/zinc/69/77/99/509697799.db2.gz KNATVIDQOWOQGN-INIZCTEOSA-N 1 3 373.522 2.781 20 0 FFADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CC3 ZINC000180078034 509740202 /nfs/dbraw/zinc/74/02/02/509740202.db2.gz MXJIKWCPAZCOBV-SFHVURJKSA-N 1 3 354.542 2.949 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000249747719 509751507 /nfs/dbraw/zinc/75/15/07/509751507.db2.gz NUJBEVCTYWROIF-YLJYHZDGSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000249747719 509751511 /nfs/dbraw/zinc/75/15/11/509751511.db2.gz NUJBEVCTYWROIF-YLJYHZDGSA-N 1 3 358.530 2.812 20 0 FFADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000180104858 509754877 /nfs/dbraw/zinc/75/48/77/509754877.db2.gz UGMKGCZWPMEKAO-SEJPIABJSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000180104858 509754885 /nfs/dbraw/zinc/75/48/85/509754885.db2.gz UGMKGCZWPMEKAO-SEJPIABJSA-N 1 3 357.542 2.882 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000173827664 509802648 /nfs/dbraw/zinc/80/26/48/509802648.db2.gz JIZSTQASXWPGQX-NHCUHLMSSA-N 1 3 370.541 2.595 20 0 FFADHO CC[C@@H](C)Oc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccn1 ZINC000180197590 509806988 /nfs/dbraw/zinc/80/69/88/509806988.db2.gz YDHBIOQASFARJG-MRXNPFEDSA-N 1 3 374.529 2.547 20 0 FFADHO O=C(CC1CC[NH2+]CC1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000238136774 509824970 /nfs/dbraw/zinc/82/49/70/509824970.db2.gz JVQJHMVYNCHOEI-UHFFFAOYSA-N 1 3 373.541 2.564 20 0 FFADHO O=C(CCC1CC[NH2+]CC1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000238170559 509828358 /nfs/dbraw/zinc/82/83/58/509828358.db2.gz DDMIQEYKDQCRLO-UHFFFAOYSA-N 1 3 359.514 2.609 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCc2occc21 ZINC000173950805 509872028 /nfs/dbraw/zinc/87/20/28/509872028.db2.gz SJWNOBLECKYXPV-FUHWJXTLSA-N 1 3 362.518 2.715 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCc2occc21 ZINC000173950805 509872036 /nfs/dbraw/zinc/87/20/36/509872036.db2.gz SJWNOBLECKYXPV-FUHWJXTLSA-N 1 3 362.518 2.715 20 0 FFADHO Cc1ccccc1C1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000171030629 509899225 /nfs/dbraw/zinc/89/92/25/509899225.db2.gz RVONNUWQCJDSEF-UHFFFAOYSA-N 1 3 355.526 2.701 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171039123 509903302 /nfs/dbraw/zinc/90/33/02/509903302.db2.gz CDMJKODJXPURPB-WOJBJXKFSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245401273 509904994 /nfs/dbraw/zinc/90/49/94/509904994.db2.gz ZQDZSMKTJXNCJR-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(OCc3ccccn3)c2)CC1 ZINC000268398656 509905306 /nfs/dbraw/zinc/90/53/06/509905306.db2.gz BHTPWIFOISLOJM-UHFFFAOYSA-N 1 3 369.509 2.986 20 0 FFADHO COc1cc([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)ccc1S(C)(=O)=O ZINC000180406739 509910164 /nfs/dbraw/zinc/91/01/64/509910164.db2.gz VKCOEMNZYCQNOU-CQSZACIVSA-N 1 3 354.516 2.622 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OCc3ccncc3)cc2)CC1 ZINC000268433044 509927944 /nfs/dbraw/zinc/92/79/44/509927944.db2.gz PFBQXZRFLWVJKL-UHFFFAOYSA-N 1 3 369.509 2.986 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174160033 509976485 /nfs/dbraw/zinc/97/64/85/509976485.db2.gz WKLOWUPHKHBLOT-CTNGQTDRSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000183797793 509979763 /nfs/dbraw/zinc/97/97/63/509979763.db2.gz CPZIBTFOWRHSDD-INIZCTEOSA-N 1 3 362.514 2.853 20 0 FFADHO C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261595110 509992860 /nfs/dbraw/zinc/99/28/60/509992860.db2.gz NWTZLDWSSBUIRC-WMQCIHAUSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261595110 509992869 /nfs/dbraw/zinc/99/28/69/509992869.db2.gz NWTZLDWSSBUIRC-WMQCIHAUSA-N 1 3 351.494 2.583 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245683920 510083810 /nfs/dbraw/zinc/08/38/10/510083810.db2.gz VVVSXYGYFDIKPC-YZGWKJHDSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245683920 510083820 /nfs/dbraw/zinc/08/38/20/510083820.db2.gz VVVSXYGYFDIKPC-YZGWKJHDSA-N 1 3 358.530 2.851 20 0 FFADHO [NH3+]C[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@H]1c1ccccc1 ZINC000261871899 510095520 /nfs/dbraw/zinc/09/55/20/510095520.db2.gz XNBGCJDDRZJRDR-MOPGFXCFSA-N 1 3 369.534 2.697 20 0 FFADHO NC[C@@H]1C[N@H+](CCC(=O)N2CCc3sccc3C2)C[C@H]1c1ccccc1 ZINC000261871899 510095523 /nfs/dbraw/zinc/09/55/23/510095523.db2.gz XNBGCJDDRZJRDR-MOPGFXCFSA-N 1 3 369.534 2.697 20 0 FFADHO NC[C@@H]1C[N@@H+](CCC(=O)N2CCc3sccc3C2)C[C@H]1c1ccccc1 ZINC000261871899 510095526 /nfs/dbraw/zinc/09/55/26/510095526.db2.gz XNBGCJDDRZJRDR-MOPGFXCFSA-N 1 3 369.534 2.697 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245704408 510096735 /nfs/dbraw/zinc/09/67/35/510096735.db2.gz ZZNHZDVZCJBVNQ-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000268853656 510100742 /nfs/dbraw/zinc/10/07/42/510100742.db2.gz QKLQQCITPZSLTA-INIZCTEOSA-N 1 3 362.518 2.714 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000177502471 510100977 /nfs/dbraw/zinc/10/09/77/510100977.db2.gz DRKCBCRMKXSAFW-PZJWPPBQSA-N 1 3 372.557 2.820 20 0 FFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245743465 510122626 /nfs/dbraw/zinc/12/26/26/510122626.db2.gz MGFRCXVNQSWAPN-AZUAARDMSA-N 1 3 373.541 2.850 20 0 FFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245743465 510122634 /nfs/dbraw/zinc/12/26/34/510122634.db2.gz MGFRCXVNQSWAPN-AZUAARDMSA-N 1 3 373.541 2.850 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cccc(-c2ccncc2)c1 ZINC000261964100 510130779 /nfs/dbraw/zinc/13/07/79/510130779.db2.gz HOJINHMIRVREBR-HXUWFJFHSA-N 1 3 352.482 2.568 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194017260 510177806 /nfs/dbraw/zinc/17/78/06/510177806.db2.gz FBKFHJVDMNXLJN-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194017260 510177816 /nfs/dbraw/zinc/17/78/16/510177816.db2.gz FBKFHJVDMNXLJN-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CN1Cc1ccccc1 ZINC000187300218 510180649 /nfs/dbraw/zinc/18/06/49/510180649.db2.gz MDXSWUANEPLPLB-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194025711 510181530 /nfs/dbraw/zinc/18/15/30/510181530.db2.gz XMOHMZOFQRYJRA-QFBILLFUSA-N 1 3 353.938 2.891 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177678596 510196375 /nfs/dbraw/zinc/19/63/75/510196375.db2.gz JKMDAUDHTAIQBL-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177678596 510196379 /nfs/dbraw/zinc/19/63/79/510196379.db2.gz JKMDAUDHTAIQBL-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262177911 510200623 /nfs/dbraw/zinc/20/06/23/510200623.db2.gz RORWADCUUFPSKN-WMQCIHAUSA-N 1 3 355.526 2.996 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194069608 510200854 /nfs/dbraw/zinc/20/08/54/510200854.db2.gz ZUFBZWHNMVXTLV-NJDAHSKKSA-N 1 3 356.510 2.691 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000245916940 510205787 /nfs/dbraw/zinc/20/57/87/510205787.db2.gz GNSVFQSWKFCLGU-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000245916940 510205789 /nfs/dbraw/zinc/20/57/89/510205789.db2.gz GNSVFQSWKFCLGU-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000269111535 510240713 /nfs/dbraw/zinc/24/07/13/510240713.db2.gz JRXJZGQVJVTNLN-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000269111535 510240718 /nfs/dbraw/zinc/24/07/18/510240718.db2.gz JRXJZGQVJVTNLN-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194166383 510246325 /nfs/dbraw/zinc/24/63/25/510246325.db2.gz HQQULPPNVOLZKO-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194166383 510246333 /nfs/dbraw/zinc/24/63/33/510246333.db2.gz HQQULPPNVOLZKO-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177778538 510249320 /nfs/dbraw/zinc/24/93/20/510249320.db2.gz VMAKJSPILDDQIE-NJYVYQBISA-N 1 3 355.526 2.984 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177778538 510249324 /nfs/dbraw/zinc/24/93/24/510249324.db2.gz VMAKJSPILDDQIE-NJYVYQBISA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(CC[NH3+])n2)CCN1Cc1ccccc1 ZINC000262423797 510274922 /nfs/dbraw/zinc/27/49/22/510274922.db2.gz VKDRXOBKPUYQJJ-WBVHZDCISA-N 1 3 372.538 2.769 20 0 FFADHO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(OCCN(C)C)c1 ZINC000181120355 510281697 /nfs/dbraw/zinc/28/16/97/510281697.db2.gz MVKMPNCONDIUOD-LSJNQWAISA-N 1 3 368.543 2.633 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000177843034 510284527 /nfs/dbraw/zinc/28/45/27/510284527.db2.gz RBBQAJRPIJSUPH-SJORKVTESA-N 1 3 364.559 2.868 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000177843034 510284536 /nfs/dbraw/zinc/28/45/36/510284536.db2.gz RBBQAJRPIJSUPH-SJORKVTESA-N 1 3 364.559 2.868 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246116020 510302285 /nfs/dbraw/zinc/30/22/85/510302285.db2.gz CTUQUEHYGFLECG-CMKODMSKSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CN1C1CC1 ZINC000246137759 510315622 /nfs/dbraw/zinc/31/56/22/510315622.db2.gz BLRGQHKNJWPPOF-XWSJACJDSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CN1C1CC1 ZINC000246137759 510315623 /nfs/dbraw/zinc/31/56/23/510315623.db2.gz BLRGQHKNJWPPOF-XWSJACJDSA-N 1 3 362.562 2.908 20 0 FFADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCN(CC2CCCCC2)CC1 ZINC000262704767 510377158 /nfs/dbraw/zinc/37/71/58/510377158.db2.gz CXHSPYFOBGEDJG-LJQANCHMSA-N 1 3 373.545 2.536 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C1CC[NH+](C2CC2)CC1 ZINC000194478289 510385860 /nfs/dbraw/zinc/38/58/60/510385860.db2.gz FYZBCNPMVPIVJT-MRXNPFEDSA-N 1 3 361.555 2.951 20 0 FFADHO CCN(C(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C1CCCCC1 ZINC000246244916 510387216 /nfs/dbraw/zinc/38/72/16/510387216.db2.gz DSHWLEJLABNWMR-ZWKOTPCHSA-N 1 3 367.578 2.581 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000174939607 510396222 /nfs/dbraw/zinc/39/62/22/510396222.db2.gz XSFWQWVGKZYVSS-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000174939607 510396231 /nfs/dbraw/zinc/39/62/31/510396231.db2.gz XSFWQWVGKZYVSS-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246284865 510406123 /nfs/dbraw/zinc/40/61/23/510406123.db2.gz MUEGHTPSHDZIBM-TYPHKJRUSA-N 1 3 355.526 2.730 20 0 FFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262812371 510423387 /nfs/dbraw/zinc/42/33/87/510423387.db2.gz VKPBCJREDOAEAK-LJQANCHMSA-N 1 3 367.468 2.957 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246362882 510447890 /nfs/dbraw/zinc/44/78/90/510447890.db2.gz QFLSGBGHLIRFLB-FCGDIQPGSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246362882 510447900 /nfs/dbraw/zinc/44/79/00/510447900.db2.gz QFLSGBGHLIRFLB-FCGDIQPGSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000262881782 510456611 /nfs/dbraw/zinc/45/66/11/510456611.db2.gz NMLHKROMVWGBEI-UWWQBHOKSA-N 1 3 369.431 2.698 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000181541478 510462772 /nfs/dbraw/zinc/46/27/72/510462772.db2.gz KQMZYGNIUKFTAO-NJYVYQBISA-N 1 3 357.542 2.727 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc(OCCN(C)C)c1 ZINC000178191986 510481097 /nfs/dbraw/zinc/48/10/97/510481097.db2.gz KCOGIGJFSBWQFT-PKOBYXMFSA-N 1 3 369.513 2.737 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246490140 510517771 /nfs/dbraw/zinc/51/77/71/510517771.db2.gz WFBGGTRLYXIPEC-WOJBJXKFSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246490140 510517774 /nfs/dbraw/zinc/51/77/74/510517774.db2.gz WFBGGTRLYXIPEC-WOJBJXKFSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000175182698 510520648 /nfs/dbraw/zinc/52/06/48/510520648.db2.gz DVWFBYFTTKEOHW-INIZCTEOSA-N 1 3 352.548 2.916 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000175182698 510520651 /nfs/dbraw/zinc/52/06/51/510520651.db2.gz DVWFBYFTTKEOHW-INIZCTEOSA-N 1 3 352.548 2.916 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000266353361 510535046 /nfs/dbraw/zinc/53/50/46/510535046.db2.gz CTGHUCCMDYRBLE-LJQANCHMSA-N 1 3 372.557 2.631 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000266353361 510535050 /nfs/dbraw/zinc/53/50/50/510535050.db2.gz CTGHUCCMDYRBLE-LJQANCHMSA-N 1 3 372.557 2.631 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CCCN2Cc2ccccc2)C[C@H](C)O1 ZINC000246568222 510560637 /nfs/dbraw/zinc/56/06/37/510560637.db2.gz VHFHJSXXJUQQPB-SVFBPWRDSA-N 1 3 373.541 2.657 20 0 FFADHO C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CCCN2Cc2ccccc2)C[C@H](C)O1 ZINC000246568222 510560646 /nfs/dbraw/zinc/56/06/46/510560646.db2.gz VHFHJSXXJUQQPB-SVFBPWRDSA-N 1 3 373.541 2.657 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000246571716 510563226 /nfs/dbraw/zinc/56/32/26/510563226.db2.gz ODANHKNDQCAKCD-JYBIWHBTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000246571716 510563231 /nfs/dbraw/zinc/56/32/31/510563231.db2.gz ODANHKNDQCAKCD-JYBIWHBTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246758987 510657597 /nfs/dbraw/zinc/65/75/97/510657597.db2.gz ZZJMFRUOSGNIQP-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246758987 510657599 /nfs/dbraw/zinc/65/75/99/510657599.db2.gz ZZJMFRUOSGNIQP-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175645463 510710125 /nfs/dbraw/zinc/71/01/25/510710125.db2.gz HGFVJWMBHOHHAF-ICSRJNTNSA-N 1 3 356.514 2.553 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175645463 510710132 /nfs/dbraw/zinc/71/01/32/510710132.db2.gz HGFVJWMBHOHHAF-ICSRJNTNSA-N 1 3 356.514 2.553 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000246910978 510741891 /nfs/dbraw/zinc/74/18/91/510741891.db2.gz FZYANCXEPJLWON-XUVXKRRUSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000175727784 510757348 /nfs/dbraw/zinc/75/73/48/510757348.db2.gz TVUYGTCXIKLJDH-SFTDATJTSA-N 1 3 372.557 2.866 20 0 FFADHO COCOc1ccc(OC)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000270315140 510757639 /nfs/dbraw/zinc/75/76/39/510757639.db2.gz GXWLDXXLMGQVMT-CALCHBBNSA-N 1 3 366.502 2.657 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000178816248 510789504 /nfs/dbraw/zinc/78/95/04/510789504.db2.gz NTCVYFOSUFHEGH-ZIFCJYIRSA-N 1 3 357.523 2.817 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000178816248 510789508 /nfs/dbraw/zinc/78/95/08/510789508.db2.gz NTCVYFOSUFHEGH-ZIFCJYIRSA-N 1 3 357.523 2.817 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)cc(OC)c1 ZINC000247048188 510815130 /nfs/dbraw/zinc/81/51/30/510815130.db2.gz MAJQGGHCPCOGLP-ROWPZFDLSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)cc(OC)c1 ZINC000247048188 510815135 /nfs/dbraw/zinc/81/51/35/510815135.db2.gz MAJQGGHCPCOGLP-ROWPZFDLSA-N 1 3 361.530 2.596 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000247122802 510840146 /nfs/dbraw/zinc/84/01/46/510840146.db2.gz LLUUUBGCXMCVQR-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000247122802 510840149 /nfs/dbraw/zinc/84/01/49/510840149.db2.gz LLUUUBGCXMCVQR-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccnn1CCN(C)C ZINC000297320958 510902098 /nfs/dbraw/zinc/90/20/98/510902098.db2.gz IKTZKGBNHXRUSU-UHFFFAOYSA-N 1 3 372.517 2.607 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccnn1CCN(C)C ZINC000297320958 510902101 /nfs/dbraw/zinc/90/21/01/510902101.db2.gz IKTZKGBNHXRUSU-UHFFFAOYSA-N 1 3 372.517 2.607 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1(C)C ZINC000282285909 510915987 /nfs/dbraw/zinc/91/59/87/510915987.db2.gz IPMRSYCSJLURNT-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCCCCC[NH+]2CCCC2)o1 ZINC000297594774 511001999 /nfs/dbraw/zinc/00/19/99/511001999.db2.gz VJGQRRIQAFRFAK-UHFFFAOYSA-N 1 3 364.534 2.927 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCN(Cc2ccccc2)CC1 ZINC000297606846 511005943 /nfs/dbraw/zinc/00/59/43/511005943.db2.gz SNODNBAIDCOMJA-VCSGRIEYSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCN(Cc2ccccc2)CC1 ZINC000297606846 511005950 /nfs/dbraw/zinc/00/59/50/511005950.db2.gz SNODNBAIDCOMJA-VCSGRIEYSA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@@H](CS(=O)(=O)c1ccccc1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000297705172 511041101 /nfs/dbraw/zinc/04/11/01/511041101.db2.gz QTMXURDKYUOKFC-KRWDZBQOSA-N 1 3 373.522 2.893 20 0 FFADHO CC(=O)NCC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000271156617 511100250 /nfs/dbraw/zinc/10/02/50/511100250.db2.gz VWQKBLJILDTYBG-UHFFFAOYSA-N 1 3 372.557 2.565 20 0 FFADHO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000291461844 511207184 /nfs/dbraw/zinc/20/71/84/511207184.db2.gz NSPCEPMPVVQUCW-OALUTQOASA-N 1 3 355.486 2.777 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1 ZINC000365053087 511228656 /nfs/dbraw/zinc/22/86/56/511228656.db2.gz JQERHOMEAIFEED-PCCBWWKXSA-N 1 3 373.541 2.663 20 0 FFADHO CN(Cc1cc(Cl)cc(C[N@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000295636108 511467479 /nfs/dbraw/zinc/46/74/79/511467479.db2.gz BRNZZLDDICQOAK-UHFFFAOYSA-N 1 3 366.933 2.749 20 0 FFADHO CN(Cc1cc(Cl)cc(C[N@@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000295636108 511467484 /nfs/dbraw/zinc/46/74/84/511467484.db2.gz BRNZZLDDICQOAK-UHFFFAOYSA-N 1 3 366.933 2.749 20 0 FFADHO CN(C)c1ccncc1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283855473 511523452 /nfs/dbraw/zinc/52/34/52/511523452.db2.gz GBPNXRHBINSFMA-UHFFFAOYSA-N 1 3 354.498 2.910 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000284126821 511615949 /nfs/dbraw/zinc/61/59/49/511615949.db2.gz OADWSYHTYNLWLW-FCHUYYIVSA-N 1 3 359.558 2.941 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC000284273612 511664201 /nfs/dbraw/zinc/66/42/01/511664201.db2.gz XPSRMGFRLXHCSJ-VXKWHMMOSA-N 1 3 357.542 2.838 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC000284273616 511664589 /nfs/dbraw/zinc/66/45/89/511664589.db2.gz XPSRMGFRLXHCSJ-YADHBBJMSA-N 1 3 357.542 2.838 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000292636734 511668318 /nfs/dbraw/zinc/66/83/18/511668318.db2.gz PLMFMQXUIJGPOH-HXUWFJFHSA-N 1 3 361.530 2.925 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000309650572 511771272 /nfs/dbraw/zinc/77/12/72/511771272.db2.gz ABXQOGPEDSYAPN-VXKWHMMOSA-N 1 3 354.494 2.676 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000309650572 511771279 /nfs/dbraw/zinc/77/12/79/511771279.db2.gz ABXQOGPEDSYAPN-VXKWHMMOSA-N 1 3 354.494 2.676 20 0 FFADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)N(C)Cc1ccccc1 ZINC000296530727 511783895 /nfs/dbraw/zinc/78/38/95/511783895.db2.gz DMCVTLCNANSYLD-QGZVFWFLSA-N 1 3 358.530 2.823 20 0 FFADHO Brc1cnn(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)c1 ZINC000314771025 511796307 /nfs/dbraw/zinc/79/63/07/511796307.db2.gz LCVYAQLZIPSKJL-ARFHVFGLSA-N 1 3 355.324 2.936 20 0 FFADHO C[C@H](N[C@H]1CCCN(c2ncccn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274905745 511983557 /nfs/dbraw/zinc/98/35/57/511983557.db2.gz MBMVAGRYQZXJAW-JBACZVJFSA-N 1 3 365.525 2.946 20 0 FFADHO C[C@H](N[C@H]1CCCN(c2ncccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274905745 511983561 /nfs/dbraw/zinc/98/35/61/511983561.db2.gz MBMVAGRYQZXJAW-JBACZVJFSA-N 1 3 365.525 2.946 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(c3ccncc3)CC1)CO2 ZINC000297063879 512006078 /nfs/dbraw/zinc/00/60/78/512006078.db2.gz WCSRZANLYQRKCI-SFHVURJKSA-N 1 3 353.466 2.900 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373922002 512572637 /nfs/dbraw/zinc/57/26/37/512572637.db2.gz JVIKKIZDGGIJNP-ZWKOTPCHSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373922002 512572642 /nfs/dbraw/zinc/57/26/42/512572642.db2.gz JVIKKIZDGGIJNP-ZWKOTPCHSA-N 1 3 362.493 2.526 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000411479319 512655409 /nfs/dbraw/zinc/65/54/09/512655409.db2.gz VTKMIESLSQASLR-SFHVURJKSA-N 1 3 372.557 2.926 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000369911529 512677814 /nfs/dbraw/zinc/67/78/14/512677814.db2.gz LIMUFRKINXKBAI-UHFFFAOYSA-N 1 3 367.578 2.989 20 0 FFADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000372393402 512850337 /nfs/dbraw/zinc/85/03/37/512850337.db2.gz SJDTTWQTDZISCG-DAWZGUTISA-N 1 3 365.562 2.645 20 0 FFADHO CN1CCC2(CCCN2C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000372442405 512876589 /nfs/dbraw/zinc/87/65/89/512876589.db2.gz OCDJTAGYTCKUJI-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CN1CCC2(CCCN2C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000372442405 512876592 /nfs/dbraw/zinc/87/65/92/512876592.db2.gz OCDJTAGYTCKUJI-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000376571889 512879578 /nfs/dbraw/zinc/87/95/78/512879578.db2.gz DCWKROWPXJSTQH-VBSBHUPXSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000376571889 512879583 /nfs/dbraw/zinc/87/95/83/512879583.db2.gz DCWKROWPXJSTQH-VBSBHUPXSA-N 1 3 356.514 2.575 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000390541853 512908910 /nfs/dbraw/zinc/90/89/10/512908910.db2.gz HLWVJRQZOGDJIY-CLAROIROSA-N 1 3 357.542 2.788 20 0 FFADHO CN(c1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(C)CC1 ZINC000370457307 512943476 /nfs/dbraw/zinc/94/34/76/512943476.db2.gz OSATUDGITZPHDY-FPOVZHCZSA-N 1 3 356.558 2.933 20 0 FFADHO CN(c1ccccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCN(C)CC1 ZINC000370457307 512943481 /nfs/dbraw/zinc/94/34/81/512943481.db2.gz OSATUDGITZPHDY-FPOVZHCZSA-N 1 3 356.558 2.933 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412094660 512957772 /nfs/dbraw/zinc/95/77/72/512957772.db2.gz SMWVTJYOMJVMSC-UBBRYJJRSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412094660 512957776 /nfs/dbraw/zinc/95/77/76/512957776.db2.gz SMWVTJYOMJVMSC-UBBRYJJRSA-N 1 3 360.542 2.872 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000374765658 512991327 /nfs/dbraw/zinc/99/13/27/512991327.db2.gz KXAZLZBZEUZDCC-KCZVDYSFSA-N 1 3 358.574 2.513 20 0 FFADHO CC(C)[C@@H]1C[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000376865875 513022615 /nfs/dbraw/zinc/02/26/15/513022615.db2.gz CCKFYABXSNHWFG-XLIONFOSSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C2 ZINC000370671406 513044131 /nfs/dbraw/zinc/04/41/31/513044131.db2.gz QYMQVJVEABCJMD-KXBFYZLASA-N 1 3 354.498 2.934 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000377034972 513095791 /nfs/dbraw/zinc/09/57/91/513095791.db2.gz QXSBNAYXLGRXIB-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000368797883 513107205 /nfs/dbraw/zinc/10/72/05/513107205.db2.gz NOESWEJVKZWIFG-UXHICEINSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000368797883 513107208 /nfs/dbraw/zinc/10/72/08/513107208.db2.gz NOESWEJVKZWIFG-UXHICEINSA-N 1 3 370.541 2.682 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000417649578 513137509 /nfs/dbraw/zinc/13/75/09/513137509.db2.gz JTSZHEPCDPWCSV-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000424432406 513142859 /nfs/dbraw/zinc/14/28/59/513142859.db2.gz HIGCQCPMBRPYCA-IRXDYDNUSA-N 1 3 374.529 2.807 20 0 FFADHO Cc1ccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(OCCN(C)C)c1 ZINC000415199213 513149020 /nfs/dbraw/zinc/14/90/20/513149020.db2.gz DDEYBMFTBQIBPT-QAQDUYKDSA-N 1 3 362.518 2.822 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000417691154 513165956 /nfs/dbraw/zinc/16/59/56/513165956.db2.gz MJQZHNYENAEFCZ-LNLFQRSKSA-N 1 3 358.530 2.981 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H]1c1cccs1 ZINC000417733898 513185827 /nfs/dbraw/zinc/18/58/27/513185827.db2.gz JICABXDINITABO-AYBZRNKSSA-N 1 3 362.543 2.526 20 0 FFADHO C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000428951604 513231459 /nfs/dbraw/zinc/23/14/59/513231459.db2.gz JZPWHCOFPHVUGP-WFXMLNOXSA-N 1 3 357.542 2.834 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417888860 513256683 /nfs/dbraw/zinc/25/66/83/513256683.db2.gz JCWDRLOIYKVCQW-GJNTUIEKSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417888860 513256687 /nfs/dbraw/zinc/25/66/87/513256687.db2.gz JCWDRLOIYKVCQW-GJNTUIEKSA-N 1 3 358.530 2.535 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccccc2C(=O)N(C)C)cc1 ZINC000417911549 513272269 /nfs/dbraw/zinc/27/22/69/513272269.db2.gz MUKSOBKSZUWRAX-UHFFFAOYSA-N 1 3 369.509 2.661 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)[C@@H]1c1ccccc1 ZINC000417943326 513295305 /nfs/dbraw/zinc/29/53/05/513295305.db2.gz OWBMNLKZKPEQHJ-UFYCRDLUSA-N 1 3 370.541 2.851 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418006334 513330827 /nfs/dbraw/zinc/33/08/27/513330827.db2.gz DYZPPTFHTATKIG-WIYYLYMNSA-N 1 3 366.509 2.677 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415587049 513339148 /nfs/dbraw/zinc/33/91/48/513339148.db2.gz YQTIBNHRYUVQKM-HXUWFJFHSA-N 1 3 352.482 2.799 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418036433 513346613 /nfs/dbraw/zinc/34/66/13/513346613.db2.gz QMELPIMVMQIYIM-FXAWDEMLSA-N 1 3 360.546 2.912 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418042671 513350544 /nfs/dbraw/zinc/35/05/44/513350544.db2.gz XSRFSRYDFGAARS-BQJUDKOJSA-N 1 3 372.557 2.912 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000418133427 513385770 /nfs/dbraw/zinc/38/57/70/513385770.db2.gz GAYQITQLYYVGIK-HBMCJLEFSA-N 1 3 370.541 2.584 20 0 FFADHO C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418160509 513398477 /nfs/dbraw/zinc/39/84/77/513398477.db2.gz RZHPFRUHLCJERY-DZFGPLHGSA-N 1 3 366.509 2.691 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418162457 513399991 /nfs/dbraw/zinc/39/99/91/513399991.db2.gz UXYZAKGFRSKISV-NEWSRXKRSA-N 1 3 358.530 2.666 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000418179349 513407351 /nfs/dbraw/zinc/40/73/51/513407351.db2.gz ALAIMHVHFHOBRB-HHXXYDBFSA-N 1 3 362.518 2.516 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC[C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000418181260 513408810 /nfs/dbraw/zinc/40/88/10/513408810.db2.gz LFQKNUZFISEBBL-PBHICJAKSA-N 1 3 354.926 2.878 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418186312 513411457 /nfs/dbraw/zinc/41/14/57/513411457.db2.gz CFDWWFCERLXBMB-UYAOXDASSA-N 1 3 360.546 2.787 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC000418199883 513417422 /nfs/dbraw/zinc/41/74/22/513417422.db2.gz XUJHGMPTKYRVJM-VDGAXYAQSA-N 1 3 360.546 2.867 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000418198950 513417851 /nfs/dbraw/zinc/41/78/51/513417851.db2.gz WFHKZWCUVJCNPV-FQEVSTJZSA-N 1 3 360.546 2.868 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418203244 513420559 /nfs/dbraw/zinc/42/05/59/513420559.db2.gz KBZWSKBWFCBFSR-AZUAARDMSA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCCC2=CC[NH2+]CC2)N(C)C)cc1 ZINC000418206680 513421844 /nfs/dbraw/zinc/42/18/44/513421844.db2.gz OUEKRSNNQHHLOS-FQEVSTJZSA-N 1 3 374.529 2.686 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)N(CC)CC)cc1 ZINC000418206572 513421925 /nfs/dbraw/zinc/42/19/25/513421925.db2.gz AJGRHQYHHASSDW-AQNXPRMDSA-N 1 3 358.530 2.635 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418228303 513432098 /nfs/dbraw/zinc/43/20/98/513432098.db2.gz DQMQJAIJLRNBKF-LESCRADOSA-N 1 3 364.559 2.699 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NCCC[C@H]2CCC[NH2+]2)CCC1 ZINC000418236145 513435668 /nfs/dbraw/zinc/43/56/68/513435668.db2.gz BAMSRVNNFKMVRV-LJQANCHMSA-N 1 3 358.530 2.873 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000421814878 513442549 /nfs/dbraw/zinc/44/25/49/513442549.db2.gz RUGVWVFXFIYBLB-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000421814878 513442552 /nfs/dbraw/zinc/44/25/52/513442552.db2.gz RUGVWVFXFIYBLB-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO C[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccncc1Cl ZINC000421823495 513446069 /nfs/dbraw/zinc/44/60/69/513446069.db2.gz DCXNENKGEBMKKJ-MRXNPFEDSA-N 1 3 359.905 2.993 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418316691 513460320 /nfs/dbraw/zinc/46/03/20/513460320.db2.gz LZVPGRAPRRZEAH-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000415904870 513470009 /nfs/dbraw/zinc/47/00/09/513470009.db2.gz SRHZWLQUAPMAJZ-UHFFFAOYSA-N 1 3 353.470 2.839 20 0 FFADHO C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418349134 513476857 /nfs/dbraw/zinc/47/68/57/513476857.db2.gz RTSANNSZPLZKQN-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000418355070 513480129 /nfs/dbraw/zinc/48/01/29/513480129.db2.gz OWDQTQILBLHYGT-HXUWFJFHSA-N 1 3 354.498 2.980 20 0 FFADHO C[NH2+]C[C@H](C)CNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418358982 513481766 /nfs/dbraw/zinc/48/17/66/513481766.db2.gz JABHBIKIOWUQTR-RXVVDRJESA-N 1 3 358.530 2.540 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418374516 513488531 /nfs/dbraw/zinc/48/85/31/513488531.db2.gz CUJNDZVZBNLOCF-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418411580 513499000 /nfs/dbraw/zinc/49/90/00/513499000.db2.gz PHJSDZFXOSVYJI-ZCNNSNEGSA-N 1 3 373.545 2.595 20 0 FFADHO CCCN(C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418414530 513500594 /nfs/dbraw/zinc/50/05/94/513500594.db2.gz ZXLNGCDNMFSNIM-PMACEKPBSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418418268 513501492 /nfs/dbraw/zinc/50/14/92/513501492.db2.gz VYPYTTDRLAMNEQ-KDOFPFPSSA-N 1 3 368.472 2.556 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000415964736 513504435 /nfs/dbraw/zinc/50/44/35/513504435.db2.gz SVALZNVIUMKKPE-UHFFFAOYSA-N 1 3 368.481 2.810 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2OCCN(C)C)cc1 ZINC000415971800 513509220 /nfs/dbraw/zinc/50/92/20/513509220.db2.gz LADYFVOGBFRTGC-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000415974794 513512447 /nfs/dbraw/zinc/51/24/47/513512447.db2.gz RKOKXIWVLULSQM-IRXDYDNUSA-N 1 3 374.529 2.759 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418470916 513524242 /nfs/dbraw/zinc/52/42/42/513524242.db2.gz RBRSDCGPBONHFV-MRXNPFEDSA-N 1 3 356.461 2.556 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N2CCCC2)cc1 ZINC000415999320 513529522 /nfs/dbraw/zinc/52/95/22/513529522.db2.gz VVMGWTGAGKAGLA-HOTGVXAUSA-N 1 3 372.435 2.711 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2ccccc2c1 ZINC000418503817 513536144 /nfs/dbraw/zinc/53/61/44/513536144.db2.gz ZNIDQLMJJIVIHR-HAGHYFMRSA-N 1 3 352.482 2.527 20 0 FFADHO CC1(CNC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)CC[NH2+]CC1 ZINC000418513594 513539615 /nfs/dbraw/zinc/53/96/15/513539615.db2.gz GGMAABCTYZOTOG-WOJBJXKFSA-N 1 3 370.541 2.540 20 0 FFADHO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)N(C)C ZINC000413258667 513552457 /nfs/dbraw/zinc/55/24/57/513552457.db2.gz FDLRRKPNAYAPSG-INIZCTEOSA-N 1 3 370.335 2.680 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418555048 513555317 /nfs/dbraw/zinc/55/53/17/513555317.db2.gz OYHUMJICTZJGPR-UHFFFAOYSA-N 1 3 358.511 2.625 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425453712 513575761 /nfs/dbraw/zinc/57/57/61/513575761.db2.gz ZFUAHIQWKQOCRL-XSDIEEQYSA-N 1 3 368.525 2.529 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425453712 513575767 /nfs/dbraw/zinc/57/57/67/513575767.db2.gz ZFUAHIQWKQOCRL-XSDIEEQYSA-N 1 3 368.525 2.529 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418612483 513577721 /nfs/dbraw/zinc/57/77/21/513577721.db2.gz HVPXVQZTANTMAC-KAGYGMCKSA-N 1 3 370.541 2.682 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418613459 513578652 /nfs/dbraw/zinc/57/86/52/513578652.db2.gz FROUIWZUFVVJSW-SFHVURJKSA-N 1 3 368.472 2.556 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418642927 513588924 /nfs/dbraw/zinc/58/89/24/513588924.db2.gz OXEAGPDKLKXQIW-OAQYLSRUSA-N 1 3 370.541 2.850 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@@H](C)C1 ZINC000418653745 513594369 /nfs/dbraw/zinc/59/43/69/513594369.db2.gz AXYYNOVZFMSUQN-RAUXBKROSA-N 1 3 358.530 2.838 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430245132 513597591 /nfs/dbraw/zinc/59/75/91/513597591.db2.gz ZYAKNDVHJUURPR-NQIIRXRSSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430245132 513597601 /nfs/dbraw/zinc/59/76/01/513597601.db2.gz ZYAKNDVHJUURPR-NQIIRXRSSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418702823 513617663 /nfs/dbraw/zinc/61/76/63/513617663.db2.gz QNWNEEGGONGQNQ-MISYRCLQSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418707259 513619121 /nfs/dbraw/zinc/61/91/21/513619121.db2.gz BJZASKUIDBYYKF-GDBMZVCRSA-N 1 3 368.472 2.556 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418711439 513620634 /nfs/dbraw/zinc/62/06/34/513620634.db2.gz FUGJSFGQJRRSHI-XUVXKRRUSA-N 1 3 373.545 2.595 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418718543 513623106 /nfs/dbraw/zinc/62/31/06/513623106.db2.gz KGWZVHYPFGEJRV-RHSMWYFYSA-N 1 3 368.472 2.556 20 0 FFADHO CN1C(=O)NCC12CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000425544645 513631616 /nfs/dbraw/zinc/63/16/16/513631616.db2.gz QZXINKFUKJJSQI-UHFFFAOYSA-N 1 3 356.514 2.662 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418780248 513655276 /nfs/dbraw/zinc/65/52/76/513655276.db2.gz BPONJWHEQQLSHV-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418807040 513661919 /nfs/dbraw/zinc/66/19/19/513661919.db2.gz YVHINDPRNRBOCK-XUVXKRRUSA-N 1 3 358.530 2.668 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000448036401 513663204 /nfs/dbraw/zinc/66/32/04/513663204.db2.gz XXXABSSBXOPUBG-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000448036401 513663205 /nfs/dbraw/zinc/66/32/05/513663205.db2.gz XXXABSSBXOPUBG-OALUTQOASA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425665604 513689202 /nfs/dbraw/zinc/68/92/02/513689202.db2.gz XOBQTHOBIABNLN-GSEOLPGOSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425665604 513689203 /nfs/dbraw/zinc/68/92/03/513689203.db2.gz XOBQTHOBIABNLN-GSEOLPGOSA-N 1 3 356.514 2.558 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448209756 513708538 /nfs/dbraw/zinc/70/85/38/513708538.db2.gz UGICKQSXFIWHLP-RBUKOAKNSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448209756 513708541 /nfs/dbraw/zinc/70/85/41/513708541.db2.gz UGICKQSXFIWHLP-RBUKOAKNSA-N 1 3 352.567 2.918 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000448222827 513712359 /nfs/dbraw/zinc/71/23/59/513712359.db2.gz LUVUEOKQNPORLZ-OALUTQOASA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000448222827 513712365 /nfs/dbraw/zinc/71/23/65/513712365.db2.gz LUVUEOKQNPORLZ-OALUTQOASA-N 1 3 352.567 2.774 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416331601 513715454 /nfs/dbraw/zinc/71/54/54/513715454.db2.gz CQWROXXHVSXBGO-CQSZACIVSA-N 1 3 351.491 2.741 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000448257904 513720653 /nfs/dbraw/zinc/72/06/53/513720653.db2.gz SPDTUUYWIGJIRF-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)CN(C)C ZINC000425936570 513802162 /nfs/dbraw/zinc/80/21/62/513802162.db2.gz JAKDRSAHGMPFPH-CABCVRRESA-N 1 3 360.502 2.540 20 0 FFADHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)C[NH+](C)C ZINC000425936570 513802165 /nfs/dbraw/zinc/80/21/65/513802165.db2.gz JAKDRSAHGMPFPH-CABCVRRESA-N 1 3 360.502 2.540 20 0 FFADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)CN(C)C ZINC000425936572 513802496 /nfs/dbraw/zinc/80/24/96/513802496.db2.gz JAKDRSAHGMPFPH-HUUCEWRRSA-N 1 3 360.502 2.540 20 0 FFADHO C[C@H](CN[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)C[NH+](C)C ZINC000425936572 513802504 /nfs/dbraw/zinc/80/25/04/513802504.db2.gz JAKDRSAHGMPFPH-HUUCEWRRSA-N 1 3 360.502 2.540 20 0 FFADHO CCN1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000442966649 513830225 /nfs/dbraw/zinc/83/02/25/513830225.db2.gz KJKCPGUXGFNQFR-IFMALSPDSA-N 1 3 355.526 2.843 20 0 FFADHO CCN1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000442966649 513830231 /nfs/dbraw/zinc/83/02/31/513830231.db2.gz KJKCPGUXGFNQFR-IFMALSPDSA-N 1 3 355.526 2.843 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000443065761 513860031 /nfs/dbraw/zinc/86/00/31/513860031.db2.gz CQXKUVHMKGOIEC-ZDUSSCGKSA-N 1 3 358.313 2.713 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422720344 513912990 /nfs/dbraw/zinc/91/29/90/513912990.db2.gz ZFVHPDAPNXHQNH-VAMGGRTRSA-N 1 3 364.555 2.892 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422729353 513916176 /nfs/dbraw/zinc/91/61/76/513916176.db2.gz KPBAMOPTHXMWHC-RMHZUWNSSA-N 1 3 373.419 2.506 20 0 FFADHO Brc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422768780 513926682 /nfs/dbraw/zinc/92/66/82/513926682.db2.gz UXZSOLDDGAMXIA-GVDBMIGSSA-N 1 3 353.304 2.738 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422789633 513933692 /nfs/dbraw/zinc/93/36/92/513933692.db2.gz OQPNPBQVRVHITD-CWRNSKLLSA-N 1 3 360.420 2.843 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422794462 513934698 /nfs/dbraw/zinc/93/46/98/513934698.db2.gz GSFYRZPNIIDXHI-CGTJXYLNSA-N 1 3 360.498 2.612 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422800348 513935839 /nfs/dbraw/zinc/93/58/39/513935839.db2.gz ZTPLFFUMTKEHGQ-YQQAZPJKSA-N 1 3 360.420 2.843 20 0 FFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422863583 513956387 /nfs/dbraw/zinc/95/63/87/513956387.db2.gz SDOUIYWCPHTLHL-BBRMVZONSA-N 1 3 368.319 2.547 20 0 FFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422870048 513958159 /nfs/dbraw/zinc/95/81/59/513958159.db2.gz YGYWOHPCTCIIPR-INDMIFKZSA-N 1 3 351.560 2.878 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416784516 513965952 /nfs/dbraw/zinc/96/59/52/513965952.db2.gz JLMXPRWDFFHCTN-SFTDATJTSA-N 1 3 370.541 2.855 20 0 FFADHO COc1cc(OC)c(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(OC)c1 ZINC000422890106 513966955 /nfs/dbraw/zinc/96/69/55/513966955.db2.gz REMRLWVBOZRBGJ-DNVCBOLYSA-N 1 3 358.482 2.803 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431685032 513967656 /nfs/dbraw/zinc/96/76/56/513967656.db2.gz IUFKISVSWVFNRF-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000431685032 513967659 /nfs/dbraw/zinc/96/76/59/513967659.db2.gz IUFKISVSWVFNRF-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422902612 513971088 /nfs/dbraw/zinc/97/10/88/513971088.db2.gz NEIRFBSYFUZDFX-PWHSHALESA-N 1 3 367.537 2.955 20 0 FFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422902612 513971096 /nfs/dbraw/zinc/97/10/96/513971096.db2.gz NEIRFBSYFUZDFX-PWHSHALESA-N 1 3 367.537 2.955 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431699364 513972878 /nfs/dbraw/zinc/97/28/78/513972878.db2.gz QJFJHEPOQSVRGC-SLYNCCJLSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431699364 513972883 /nfs/dbraw/zinc/97/28/83/513972883.db2.gz QJFJHEPOQSVRGC-SLYNCCJLSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000416829180 513987148 /nfs/dbraw/zinc/98/71/48/513987148.db2.gz FLWMUCXNZBKMSS-PMACEKPBSA-N 1 3 372.557 2.579 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000416836093 513992524 /nfs/dbraw/zinc/99/25/24/513992524.db2.gz GCAFWMMKROENLN-XUVXKRRUSA-N 1 3 358.530 2.757 20 0 FFADHO Brc1cccc(NCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422963106 513993937 /nfs/dbraw/zinc/99/39/37/513993937.db2.gz HMVFJVATLODNAN-IXDOHACOSA-N 1 3 368.319 2.608 20 0 FFADHO CC1(C)COC[C@@H]1NCc1cc(C[NH2+][C@@H]2COCC2(C)C)ccc1F ZINC000451813645 513996958 /nfs/dbraw/zinc/99/69/58/513996958.db2.gz RNTGVDVWKVXHSF-MSOLQXFVSA-N 1 3 350.478 2.855 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000416844439 513998655 /nfs/dbraw/zinc/99/86/55/513998655.db2.gz PXOUGANSWPAOKM-KRWDZBQOSA-N 1 3 364.559 2.916 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000416846544 514000171 /nfs/dbraw/zinc/00/01/71/514000171.db2.gz UIXKTTIESBJJSF-VNTMZGSJSA-N 1 3 358.530 2.757 20 0 FFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(OC)c1 ZINC000414185121 514001748 /nfs/dbraw/zinc/00/17/48/514001748.db2.gz GKKHCIZJTRSHLN-FQEVSTJZSA-N 1 3 361.530 2.533 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2ccccc2o1 ZINC000414183592 514002114 /nfs/dbraw/zinc/00/21/14/514002114.db2.gz FCVWXTZTKPSBDH-KRWDZBQOSA-N 1 3 357.498 2.880 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414191919 514005198 /nfs/dbraw/zinc/00/51/98/514005198.db2.gz LORYCCPPGZNZML-JBACZVJFSA-N 1 3 357.542 2.565 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414194102 514006629 /nfs/dbraw/zinc/00/66/29/514006629.db2.gz NFVKNPYDHOKZOU-YADHBBJMSA-N 1 3 371.569 2.883 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416858131 514008128 /nfs/dbraw/zinc/00/81/28/514008128.db2.gz SKQQPACFJWDMOZ-QRFRQXIXSA-N 1 3 374.529 2.519 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCC2([NH3+])CCCCC2)N2CCCC2)c1 ZINC000416861184 514010846 /nfs/dbraw/zinc/01/08/46/514010846.db2.gz WTJMQFCCFKPTSV-LJQANCHMSA-N 1 3 374.529 2.793 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048472 514017410 /nfs/dbraw/zinc/01/74/10/514017410.db2.gz IFHGYJUZDZASFG-DYVFJYSZSA-N 1 3 369.431 2.898 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2CCOc3c(F)cccc32)CC[NH2+]CC1 ZINC000423053272 514020035 /nfs/dbraw/zinc/02/00/35/514020035.db2.gz AGHHUFVAQGASDH-BBRMVZONSA-N 1 3 350.434 2.560 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000423073365 514029220 /nfs/dbraw/zinc/02/92/20/514029220.db2.gz REHZIIUZLGQNGI-ATVPRXPUSA-N 1 3 358.313 2.914 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1ccccc1CN1CCCCC1 ZINC000416905971 514039221 /nfs/dbraw/zinc/03/92/21/514039221.db2.gz RLLKKYJTVKNNHQ-SFHVURJKSA-N 1 3 358.530 2.861 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000423095056 514039414 /nfs/dbraw/zinc/03/94/14/514039414.db2.gz LGPZJWWQSMMLBD-NEPJUHHUSA-N 1 3 358.267 2.810 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)N[C@@H](C)C1C[NH2+]C1 ZINC000423095056 514039421 /nfs/dbraw/zinc/03/94/21/514039421.db2.gz LGPZJWWQSMMLBD-NEPJUHHUSA-N 1 3 358.267 2.810 20 0 FFADHO CC[C@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000431944955 514047876 /nfs/dbraw/zinc/04/78/76/514047876.db2.gz ZWODKDHMKAVTFT-QAQDUYKDSA-N 1 3 350.551 2.813 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2c3ccc(F)cc3O[C@H]2C)CC[NH2+]CC1 ZINC000423123691 514050260 /nfs/dbraw/zinc/05/02/60/514050260.db2.gz LQARFHTYRODDOK-DCGLDWPTSA-N 1 3 350.434 2.559 20 0 FFADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000423125534 514052655 /nfs/dbraw/zinc/05/26/55/514052655.db2.gz AAASVBGDDMRYEH-CEMLEFRQSA-N 1 3 357.542 2.645 20 0 FFADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414336550 514054696 /nfs/dbraw/zinc/05/46/96/514054696.db2.gz IHSNQUAUFGWNKV-CTNGQTDRSA-N 1 3 373.541 2.679 20 0 FFADHO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000423143784 514058070 /nfs/dbraw/zinc/05/80/70/514058070.db2.gz XXCKPFSEEDKZKV-LHSJRXKWSA-N 1 3 373.497 2.510 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000416963281 514071140 /nfs/dbraw/zinc/07/11/40/514071140.db2.gz RHOMLGDVMOSFEK-GOSISDBHSA-N 1 3 366.509 2.905 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000416968215 514074972 /nfs/dbraw/zinc/07/49/72/514074972.db2.gz YKCHCNBYCFOMEY-OAQYLSRUSA-N 1 3 366.509 2.952 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000416969341 514076284 /nfs/dbraw/zinc/07/62/84/514076284.db2.gz BOLHGLJOYJZGJE-OXQOHEQNSA-N 1 3 358.530 2.728 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000420298151 514078805 /nfs/dbraw/zinc/07/88/05/514078805.db2.gz GVRGHRVPKMRQDF-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000416974329 514079732 /nfs/dbraw/zinc/07/97/32/514079732.db2.gz WWXAZJMDKXPFLY-INIZCTEOSA-N 1 3 370.497 2.646 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000416974330 514080384 /nfs/dbraw/zinc/08/03/84/514080384.db2.gz WWXAZJMDKXPFLY-MRXNPFEDSA-N 1 3 370.497 2.646 20 0 FFADHO O=C(NC[C@@H]1CCCN([C@@H]2CCCc3ccc(F)cc32)C1)[C@@H]1CCC[NH2+]1 ZINC000420309109 514083977 /nfs/dbraw/zinc/08/39/77/514083977.db2.gz DKPPPUJDWXZANF-RYGJVYDSSA-N 1 3 359.489 2.783 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000416978824 514087267 /nfs/dbraw/zinc/08/72/67/514087267.db2.gz RUEQUOKDDJMBJP-KDURUIRLSA-N 1 3 370.541 2.600 20 0 FFADHO CC(C)N1CCN(CCC[NH2+]C2(Cc3ccccc3)CCOCC2)CC1 ZINC000451945408 514087434 /nfs/dbraw/zinc/08/74/34/514087434.db2.gz SZDCUVCROZKVLB-UHFFFAOYSA-N 1 3 359.558 2.784 20 0 FFADHO Brc1ccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000420313685 514089066 /nfs/dbraw/zinc/08/90/66/514089066.db2.gz YJVPKIDHZKMYGW-ZDUSSCGKSA-N 1 3 358.349 2.628 20 0 FFADHO C[C@H]1C[C@@H](Nc2ccc(N3CCNCC3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000423237978 514089383 /nfs/dbraw/zinc/08/93/83/514089383.db2.gz UNWDCFLLUBGTBI-PKOBYXMFSA-N 1 3 351.498 2.566 20 0 FFADHO C[C@H]1C[C@@H](Nc2ccc(N3CCNCC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000423237978 514089387 /nfs/dbraw/zinc/08/93/87/514089387.db2.gz UNWDCFLLUBGTBI-PKOBYXMFSA-N 1 3 351.498 2.566 20 0 FFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(N3CCNCC3)cn2)C1 ZINC000423242587 514090776 /nfs/dbraw/zinc/09/07/76/514090776.db2.gz YVSOXTRWGPDXOE-HKUYNNGSSA-N 1 3 351.498 2.739 20 0 FFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(N3CCNCC3)cn2)C1 ZINC000423242587 514090784 /nfs/dbraw/zinc/09/07/84/514090784.db2.gz YVSOXTRWGPDXOE-HKUYNNGSSA-N 1 3 351.498 2.739 20 0 FFADHO Cc1cc(C)c(CCNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420325994 514093781 /nfs/dbraw/zinc/09/37/81/514093781.db2.gz IWNKZNLQTDQWMJ-UXHICEINSA-N 1 3 357.542 2.592 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323217 514094908 /nfs/dbraw/zinc/09/49/08/514094908.db2.gz UBHNVWAJOKWFIO-PKOBYXMFSA-N 1 3 354.498 2.875 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323217 514094912 /nfs/dbraw/zinc/09/49/12/514094912.db2.gz UBHNVWAJOKWFIO-PKOBYXMFSA-N 1 3 354.498 2.875 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323217 514094918 /nfs/dbraw/zinc/09/49/18/514094918.db2.gz UBHNVWAJOKWFIO-PKOBYXMFSA-N 1 3 354.498 2.875 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000423290753 514101272 /nfs/dbraw/zinc/10/12/72/514101272.db2.gz FIDVUJQIQCPBLT-BFUOFWGJSA-N 1 3 359.495 2.521 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000423293901 514102891 /nfs/dbraw/zinc/10/28/91/514102891.db2.gz SLBVXJSAMVLDQL-BFUOFWGJSA-N 1 3 359.495 2.521 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000416998086 514103921 /nfs/dbraw/zinc/10/39/21/514103921.db2.gz ATMMGOKETPXSAA-YQQAZPJKSA-N 1 3 352.548 2.818 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(F)cc(Br)c2)CC1 ZINC000449186129 514106054 /nfs/dbraw/zinc/10/60/54/514106054.db2.gz HNZRONZJLDWJBZ-UHFFFAOYSA-N 1 3 359.283 2.913 20 0 FFADHO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417002284 514108348 /nfs/dbraw/zinc/10/83/48/514108348.db2.gz AMALAFHABLASTJ-DOIPELPJSA-N 1 3 370.541 2.592 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000417010512 514115141 /nfs/dbraw/zinc/11/51/41/514115141.db2.gz PJDUPXCLEUAMGR-SJORKVTESA-N 1 3 352.548 2.962 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000420376357 514115332 /nfs/dbraw/zinc/11/53/32/514115332.db2.gz QODVLDWOCNNHJO-VWPQPMDRSA-N 1 3 368.525 2.757 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000420376357 514115341 /nfs/dbraw/zinc/11/53/41/514115341.db2.gz QODVLDWOCNNHJO-VWPQPMDRSA-N 1 3 368.525 2.757 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)c1ccsc1 ZINC000417011920 514116421 /nfs/dbraw/zinc/11/64/21/514116421.db2.gz ULPHNJAKCJEARR-KRWDZBQOSA-N 1 3 350.532 2.740 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCc2ccccc2C1 ZINC000417016118 514120958 /nfs/dbraw/zinc/12/09/58/514120958.db2.gz NONAFMMCZQQYNS-PXNSSMCTSA-N 1 3 358.530 2.594 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCn2cnnc2C2CC2)CC1 ZINC000449226886 514121910 /nfs/dbraw/zinc/12/19/10/514121910.db2.gz SCMDXNXTRQTFCY-KRWDZBQOSA-N 1 3 353.514 2.841 20 0 FFADHO CC1(C)[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000423382395 514123180 /nfs/dbraw/zinc/12/31/80/514123180.db2.gz IMWFAIGERUPFTN-BBWFWOEESA-N 1 3 355.448 2.994 20 0 FFADHO CC(C)[C@@H](COCc1ccccc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389453 514124386 /nfs/dbraw/zinc/12/43/86/514124386.db2.gz NMGJNOYXORWBGI-MSOLQXFVSA-N 1 3 373.463 2.654 20 0 FFADHO Cc1ccc2c(c1)OCCC[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423393400 514126990 /nfs/dbraw/zinc/12/69/90/514126990.db2.gz RBIOAAOWXYYZJL-WBVHZDCISA-N 1 3 357.420 2.634 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000417074082 514154820 /nfs/dbraw/zinc/15/48/20/514154820.db2.gz UBDCRVBUPLGBKQ-VQTJNVASSA-N 1 3 358.530 2.812 20 0 FFADHO CC(C)(CNC(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417085755 514160366 /nfs/dbraw/zinc/16/03/66/514160366.db2.gz CVDWPYUTBXXNMI-HXUWFJFHSA-N 1 3 366.509 2.823 20 0 FFADHO Cc1ccc(CCC[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cn1 ZINC000414521309 514160506 /nfs/dbraw/zinc/16/05/06/514160506.db2.gz FILIDRCITQMGAP-UHFFFAOYSA-N 1 3 353.510 2.939 20 0 FFADHO CC(C)(CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417087242 514161394 /nfs/dbraw/zinc/16/13/94/514161394.db2.gz GVMRGULQWYVOHX-QFBILLFUSA-N 1 3 358.530 2.640 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417090688 514163022 /nfs/dbraw/zinc/16/30/22/514163022.db2.gz XWAKULDQFJTGSA-QHAWAJNXSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)N1[C@H](C)CC[C@@H]1C ZINC000444234523 514164110 /nfs/dbraw/zinc/16/41/10/514164110.db2.gz GZCCQTDXNHPBDV-OWCLPIDISA-N 1 3 360.502 2.754 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000427271903 514168332 /nfs/dbraw/zinc/16/83/32/514168332.db2.gz HIZWEXLBLNKYNI-GOSISDBHSA-N 1 3 358.530 2.542 20 0 FFADHO O=C(C[C@@H]1CCC[NH2+]CC1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000427282918 514171793 /nfs/dbraw/zinc/17/17/93/514171793.db2.gz VFCZESTUVXAAAJ-GOSISDBHSA-N 1 3 370.541 2.937 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449530124 514243125 /nfs/dbraw/zinc/24/31/25/514243125.db2.gz CEPWJZVYICWZLM-MAUKXSAKSA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000417223192 514243456 /nfs/dbraw/zinc/24/34/56/514243456.db2.gz RJLYBBSITNQNJK-HKUYNNGSSA-N 1 3 356.514 2.607 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417225911 514244195 /nfs/dbraw/zinc/24/41/95/514244195.db2.gz YVGINVNKPKSPEB-PKOBYXMFSA-N 1 3 358.530 2.996 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)C1 ZINC000414700237 514248099 /nfs/dbraw/zinc/24/80/99/514248099.db2.gz FXDQKMLMQMWDRX-RTWAWAEBSA-N 1 3 357.542 2.919 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)C1 ZINC000414700237 514248103 /nfs/dbraw/zinc/24/81/03/514248103.db2.gz FXDQKMLMQMWDRX-RTWAWAEBSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@@H]1C[C@H](CN2CCN(Cc3csc(C(C)(C)C)n3)CC2)CC[NH2+]1 ZINC000414700359 514248184 /nfs/dbraw/zinc/24/81/84/514248184.db2.gz JQFGHYBRQNXXST-HZPDHXFCSA-N 1 3 350.576 2.946 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714092 514252958 /nfs/dbraw/zinc/25/29/58/514252958.db2.gz WZCXGRSUNSWJGC-CABCVRRESA-N 1 3 352.548 2.765 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714092 514252962 /nfs/dbraw/zinc/25/29/62/514252962.db2.gz WZCXGRSUNSWJGC-CABCVRRESA-N 1 3 352.548 2.765 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714163 514253458 /nfs/dbraw/zinc/25/34/58/514253458.db2.gz XJBJVZNRCBLRKS-XHSDSOJGSA-N 1 3 351.922 2.961 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714163 514253464 /nfs/dbraw/zinc/25/34/64/514253464.db2.gz XJBJVZNRCBLRKS-XHSDSOJGSA-N 1 3 351.922 2.961 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH3+])Cc2ccccc2)N(C)C)cc1 ZINC000417312442 514288267 /nfs/dbraw/zinc/28/82/67/514288267.db2.gz NSVPINLUSZFPKF-HXUWFJFHSA-N 1 3 354.498 2.768 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000414789901 514294397 /nfs/dbraw/zinc/29/43/97/514294397.db2.gz PBNUPODSDGUKFF-SJORKVTESA-N 1 3 358.404 2.956 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000417352205 514306654 /nfs/dbraw/zinc/30/66/54/514306654.db2.gz FJEBSNYYGJNZMU-UNMCSNQZSA-N 1 3 370.541 2.917 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccccc2OCCN(C)C)cc1 ZINC000417373515 514318794 /nfs/dbraw/zinc/31/87/94/514318794.db2.gz YDXFUIVLRNKICX-MRXNPFEDSA-N 1 3 370.497 2.646 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417372389 514319065 /nfs/dbraw/zinc/31/90/65/514319065.db2.gz VYWUCMNRAKEMEE-AEFFLSMTSA-N 1 3 366.575 2.975 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000417376397 514321875 /nfs/dbraw/zinc/32/18/75/514321875.db2.gz DMJCGXQUNBWNFU-QGZVFWFLSA-N 1 3 364.559 2.792 20 0 FFADHO Cc1ccc2cc(CNC3CC[NH+](CCC(=O)N(C)C)CC3)ccc2n1 ZINC000438212034 514331474 /nfs/dbraw/zinc/33/14/74/514331474.db2.gz HIIZIOMYWWDEQW-UHFFFAOYSA-N 1 3 354.498 2.576 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000414874513 514334430 /nfs/dbraw/zinc/33/44/30/514334430.db2.gz BBSAUKCPGQTREA-UHFFFAOYSA-N 1 3 370.497 2.662 20 0 FFADHO CC(C)(C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000424026957 514348032 /nfs/dbraw/zinc/34/80/32/514348032.db2.gz LSEVTAMWOHOKTK-QXAKKESOSA-N 1 3 355.457 2.805 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000417475839 514371731 /nfs/dbraw/zinc/37/17/31/514371731.db2.gz BRSAOERBMMTRSL-FQEVSTJZSA-N 1 3 370.497 2.516 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414956226 514375263 /nfs/dbraw/zinc/37/52/63/514375263.db2.gz VASWLJCEOWZTIO-XUJVJEKNSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414956226 514375270 /nfs/dbraw/zinc/37/52/70/514375270.db2.gz VASWLJCEOWZTIO-XUJVJEKNSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000444967213 514378536 /nfs/dbraw/zinc/37/85/36/514378536.db2.gz MTSHAOAPUDZGQK-YLJYHZDGSA-N 1 3 370.541 2.823 20 0 FFADHO Cc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C(F)(F)F ZINC000414977843 514385033 /nfs/dbraw/zinc/38/50/33/514385033.db2.gz SDBRLUOOMWDFHJ-CQSZACIVSA-N 1 3 369.353 2.940 20 0 FFADHO C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCN1 ZINC000417550251 514402776 /nfs/dbraw/zinc/40/27/76/514402776.db2.gz ZZDBRCSPMOEFBC-OAHLLOKOSA-N 1 3 364.921 2.555 20 0 FFADHO [NH3+]C1CCN(CCCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CC1 ZINC000433174932 514405639 /nfs/dbraw/zinc/40/56/39/514405639.db2.gz OKTFVZDMEYKHEF-SFHVURJKSA-N 1 3 371.485 2.556 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000415036132 514409690 /nfs/dbraw/zinc/40/96/90/514409690.db2.gz FHQSPIFCQNIVDN-MOPGFXCFSA-N 1 3 360.498 2.819 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)Nc3ccccc3C)CC2)CC1 ZINC000420973000 514413123 /nfs/dbraw/zinc/41/31/23/514413123.db2.gz BTAPFFXSTRWUBV-UHFFFAOYSA-N 1 3 372.557 2.816 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCC(=O)Nc3ccccc3C)CC2)CC1 ZINC000420973000 514413132 /nfs/dbraw/zinc/41/31/32/514413132.db2.gz BTAPFFXSTRWUBV-UHFFFAOYSA-N 1 3 372.557 2.816 20 0 FFADHO C[C@H]1NCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1C ZINC000417581280 514420788 /nfs/dbraw/zinc/42/07/88/514420788.db2.gz FXLRYRWHYSFGFR-GYMWCJPTSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1NCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1C ZINC000417581280 514420794 /nfs/dbraw/zinc/42/07/94/514420794.db2.gz FXLRYRWHYSFGFR-GYMWCJPTSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]1CC2(CN1C(=O)C1CCN(Cc3ccccc3)CC1)CC[NH2+]CC2 ZINC000424237777 514427742 /nfs/dbraw/zinc/42/77/42/514427742.db2.gz MKGPNEGMBUKBNG-SFHVURJKSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417596276 514430669 /nfs/dbraw/zinc/43/06/69/514430669.db2.gz ZMTJYARPISMTLN-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCN3CCc4ccccc43)CC2)C[C@H](C)O1 ZINC000428249503 514433494 /nfs/dbraw/zinc/43/34/94/514433494.db2.gz XZZFYYJGGXBUJU-KDURUIRLSA-N 1 3 357.542 2.870 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424285167 514447219 /nfs/dbraw/zinc/44/72/19/514447219.db2.gz FJLLLSORTPVCAL-KRWDZBQOSA-N 1 3 359.514 2.554 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000415111503 514448437 /nfs/dbraw/zinc/44/84/37/514448437.db2.gz CFMPOXYHCIOOPN-RBBKRZOGSA-N 1 3 365.521 2.800 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000415113094 514448572 /nfs/dbraw/zinc/44/85/72/514448572.db2.gz WHBQJXBVTOUVNU-AWEZNQCLSA-N 1 3 369.431 2.524 20 0 FFADHO CC(C)c1ccc(CCNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424301525 514449348 /nfs/dbraw/zinc/44/93/48/514449348.db2.gz XNBWIPXAIDTUND-GOSISDBHSA-N 1 3 357.542 2.933 20 0 FFADHO Cc1ccc(SCCNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424302056 514450755 /nfs/dbraw/zinc/45/07/55/514450755.db2.gz YVAZSYPTKVTBRG-QGZVFWFLSA-N 1 3 361.555 2.667 20 0 FFADHO CCOCc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415124722 514454387 /nfs/dbraw/zinc/45/43/87/514454387.db2.gz NEVCUHRTNOTNJK-CTNGQTDRSA-N 1 3 362.514 2.950 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)CC2 ZINC000465904378 514514781 /nfs/dbraw/zinc/51/47/81/514514781.db2.gz GLGIYQKOSNCKNK-OKYOBFRVSA-N 1 3 350.551 2.906 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)CC2 ZINC000465904378 514514786 /nfs/dbraw/zinc/51/47/86/514514786.db2.gz GLGIYQKOSNCKNK-OKYOBFRVSA-N 1 3 350.551 2.906 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000455427796 514515688 /nfs/dbraw/zinc/51/56/88/514515688.db2.gz HGLCFBKJOZGRDS-RXVVDRJESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000455427796 514515697 /nfs/dbraw/zinc/51/56/97/514515697.db2.gz HGLCFBKJOZGRDS-RXVVDRJESA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCN1[C@H](C)CCC[C@@H]1C)CC2 ZINC000465904376 514516269 /nfs/dbraw/zinc/51/62/69/514516269.db2.gz GLGIYQKOSNCKNK-HCXYKTFWSA-N 1 3 350.551 2.906 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCN1[C@H](C)CCC[C@@H]1C)CC2 ZINC000465904376 514516276 /nfs/dbraw/zinc/51/62/76/514516276.db2.gz GLGIYQKOSNCKNK-HCXYKTFWSA-N 1 3 350.551 2.906 20 0 FFADHO OC1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453081143 514538423 /nfs/dbraw/zinc/53/84/23/514538423.db2.gz FHQKVGLKJSWADY-YTFSRNRJSA-N 1 3 371.569 2.866 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@H]1c1cccs1 ZINC000466018879 514540851 /nfs/dbraw/zinc/54/08/51/514540851.db2.gz RUJQUHPHPWUNCV-RKVPGOIHSA-N 1 3 362.543 2.667 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@H]1c1cccs1 ZINC000466018879 514540862 /nfs/dbraw/zinc/54/08/62/514540862.db2.gz RUJQUHPHPWUNCV-RKVPGOIHSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000466033877 514544269 /nfs/dbraw/zinc/54/42/69/514544269.db2.gz DDPSOIXIBOHMRR-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000466033877 514544276 /nfs/dbraw/zinc/54/42/76/514544276.db2.gz DDPSOIXIBOHMRR-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466035697 514545024 /nfs/dbraw/zinc/54/50/24/514545024.db2.gz NSQYKWSBQQPCRX-NLWGTHIKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466035697 514545026 /nfs/dbraw/zinc/54/50/26/514545026.db2.gz NSQYKWSBQQPCRX-NLWGTHIKSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000470667692 514567803 /nfs/dbraw/zinc/56/78/03/514567803.db2.gz CCWQMNGUJBTMPU-HXUWFJFHSA-N 1 3 372.557 2.820 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C(C)C)C3)cc2)CC1 ZINC000470667692 514567809 /nfs/dbraw/zinc/56/78/09/514567809.db2.gz CCWQMNGUJBTMPU-HXUWFJFHSA-N 1 3 372.557 2.820 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000466214077 514579172 /nfs/dbraw/zinc/57/91/72/514579172.db2.gz HJFJYAXDFIUMLA-OXQOHEQNSA-N 1 3 370.541 2.605 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000466214077 514579174 /nfs/dbraw/zinc/57/91/74/514579174.db2.gz HJFJYAXDFIUMLA-OXQOHEQNSA-N 1 3 370.541 2.605 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000470744559 514590754 /nfs/dbraw/zinc/59/07/54/514590754.db2.gz HJBYQPXYOAXQTE-SFTDATJTSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000470744559 514590763 /nfs/dbraw/zinc/59/07/63/514590763.db2.gz HJBYQPXYOAXQTE-SFTDATJTSA-N 1 3 370.541 2.634 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475270588 514599095 /nfs/dbraw/zinc/59/90/95/514599095.db2.gz RPDXSAMMKXHTAR-RTWAWAEBSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475270588 514599108 /nfs/dbraw/zinc/59/91/08/514599108.db2.gz RPDXSAMMKXHTAR-RTWAWAEBSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000466348810 514617747 /nfs/dbraw/zinc/61/77/47/514617747.db2.gz XHZIKPOPTPOBCU-NJDAHSKKSA-N 1 3 373.541 2.663 20 0 FFADHO C[N@H+](CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1)C1CC1 ZINC000455602569 514625867 /nfs/dbraw/zinc/62/58/67/514625867.db2.gz DJEYEPFTVAJJEE-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO C[N@@H+](CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1)C1CC1 ZINC000455602569 514625868 /nfs/dbraw/zinc/62/58/68/514625868.db2.gz DJEYEPFTVAJJEE-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000466420714 514643174 /nfs/dbraw/zinc/64/31/74/514643174.db2.gz FNIUYSJQCPRAID-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000508043486 514646144 /nfs/dbraw/zinc/64/61/44/514646144.db2.gz IUXQDGYCQQSCSU-SJORKVTESA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000508043486 514646154 /nfs/dbraw/zinc/64/61/54/514646154.db2.gz IUXQDGYCQQSCSU-SJORKVTESA-N 1 3 374.520 2.869 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470896670 514661701 /nfs/dbraw/zinc/66/17/01/514661701.db2.gz HKGWONVOZJUTQI-ZHALLVOQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470896670 514661710 /nfs/dbraw/zinc/66/17/10/514661710.db2.gz HKGWONVOZJUTQI-ZHALLVOQSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000466498558 514662742 /nfs/dbraw/zinc/66/27/42/514662742.db2.gz FCOTYXCHTMVZRK-NUJGCVRESA-N 1 3 350.551 2.669 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000466498558 514662752 /nfs/dbraw/zinc/66/27/52/514662752.db2.gz FCOTYXCHTMVZRK-NUJGCVRESA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CN1Cc1ccccc1 ZINC000466498837 514663024 /nfs/dbraw/zinc/66/30/24/514663024.db2.gz GXPJYRRTYICRBK-HOJAQTOUSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CN1Cc1ccccc1 ZINC000466498837 514663030 /nfs/dbraw/zinc/66/30/30/514663030.db2.gz GXPJYRRTYICRBK-HOJAQTOUSA-N 1 3 370.541 2.966 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466500157 514666504 /nfs/dbraw/zinc/66/65/04/514666504.db2.gz QKKSWTLTRYEBLK-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466500157 514666514 /nfs/dbraw/zinc/66/65/14/514666514.db2.gz QKKSWTLTRYEBLK-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000489055027 514687137 /nfs/dbraw/zinc/68/71/37/514687137.db2.gz QSDMVPUDOXLXJB-DYESRHJHSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000489055027 514687146 /nfs/dbraw/zinc/68/71/46/514687146.db2.gz QSDMVPUDOXLXJB-DYESRHJHSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000489066758 514692145 /nfs/dbraw/zinc/69/21/45/514692145.db2.gz CWDSKTPCYVBILZ-XMSQKQJNSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000489066758 514692153 /nfs/dbraw/zinc/69/21/53/514692153.db2.gz CWDSKTPCYVBILZ-XMSQKQJNSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN(C2CCC2)C1 ZINC000489072295 514696323 /nfs/dbraw/zinc/69/63/23/514696323.db2.gz JTSXTRYPUDAKIH-WMZOPIPTSA-N 1 3 352.567 2.869 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000461789215 514738357 /nfs/dbraw/zinc/73/83/57/514738357.db2.gz LNBUADJPVLRVNU-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000461789215 514738365 /nfs/dbraw/zinc/73/83/65/514738365.db2.gz LNBUADJPVLRVNU-YJBOKZPZSA-N 1 3 352.498 2.848 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000458392266 514758958 /nfs/dbraw/zinc/75/89/58/514758958.db2.gz AXABULFUBRBEGK-WOJBJXKFSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000458392266 514758970 /nfs/dbraw/zinc/75/89/70/514758970.db2.gz AXABULFUBRBEGK-WOJBJXKFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000498194365 514796284 /nfs/dbraw/zinc/79/62/84/514796284.db2.gz DVUDEXMNUPBTNR-JKIFEVAISA-N 1 3 353.457 2.763 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000498194365 514796292 /nfs/dbraw/zinc/79/62/92/514796292.db2.gz DVUDEXMNUPBTNR-JKIFEVAISA-N 1 3 353.457 2.763 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000502829464 514796735 /nfs/dbraw/zinc/79/67/35/514796735.db2.gz YXRSLOBNXQSNNA-BKVYNOPKSA-N 1 3 350.551 2.811 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000484882857 514828184 /nfs/dbraw/zinc/82/81/84/514828184.db2.gz RENAKOBEIXTRPF-QGZVFWFLSA-N 1 3 353.576 2.729 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000466977401 514848227 /nfs/dbraw/zinc/84/82/27/514848227.db2.gz PVDMSKRVPOXNRP-UHFFFAOYSA-N 1 3 368.525 2.852 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000502948740 514852709 /nfs/dbraw/zinc/85/27/09/514852709.db2.gz DOQPXQCSBTVDAX-GOSISDBHSA-N 1 3 358.530 2.908 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)CC[C@H]1C)Cc1ccccc1 ZINC000502948973 514853885 /nfs/dbraw/zinc/85/38/85/514853885.db2.gz KSSQQCVFGXJFHR-UYAOXDASSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000458524823 514871257 /nfs/dbraw/zinc/87/12/57/514871257.db2.gz ZUCBJRLCRMJQDX-IAGOWNOFSA-N 1 3 352.548 2.694 20 0 FFADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476250530 514966953 /nfs/dbraw/zinc/96/69/53/514966953.db2.gz CNCSPJNSUNFTMR-ICSRJNTNSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476250530 514966965 /nfs/dbraw/zinc/96/69/65/514966965.db2.gz CNCSPJNSUNFTMR-ICSRJNTNSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476250529 514968089 /nfs/dbraw/zinc/96/80/89/514968089.db2.gz CNCSPJNSUNFTMR-AZUAARDMSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476250529 514968098 /nfs/dbraw/zinc/96/80/98/514968098.db2.gz CNCSPJNSUNFTMR-AZUAARDMSA-N 1 3 356.514 2.529 20 0 FFADHO COc1cc(NC(=O)CCN2CCCC[C@@H]2CC[NH3+])c(OC)cc1Cl ZINC000489823625 514987723 /nfs/dbraw/zinc/98/77/23/514987723.db2.gz HKGZOLHJRLLTCS-CYBMUJFWSA-N 1 3 369.893 2.889 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000458707878 515033563 /nfs/dbraw/zinc/03/35/63/515033563.db2.gz OXLYEEIWLVPVKQ-UHFFFAOYSA-N 1 3 364.559 2.696 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000458729751 515050010 /nfs/dbraw/zinc/05/00/10/515050010.db2.gz JJJNDIXYRVLCKR-RBUKOAKNSA-N 1 3 350.551 2.908 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000458729751 515050018 /nfs/dbraw/zinc/05/00/18/515050018.db2.gz JJJNDIXYRVLCKR-RBUKOAKNSA-N 1 3 350.551 2.908 20 0 FFADHO C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000458752263 515064491 /nfs/dbraw/zinc/06/44/91/515064491.db2.gz VSFBGPQRSUDFOC-SFHVURJKSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccco1 ZINC000458751932 515064838 /nfs/dbraw/zinc/06/48/38/515064838.db2.gz CATBJODIBAIZFN-BBWFWOEESA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccco1 ZINC000458751932 515064848 /nfs/dbraw/zinc/06/48/48/515064848.db2.gz CATBJODIBAIZFN-BBWFWOEESA-N 1 3 350.507 2.833 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCN1Cc1ccccc1 ZINC000458782462 515088891 /nfs/dbraw/zinc/08/88/91/515088891.db2.gz ULYFZWWYVZUUHT-CBQOVEMMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCN1Cc1ccccc1 ZINC000458782462 515088901 /nfs/dbraw/zinc/08/89/01/515088901.db2.gz ULYFZWWYVZUUHT-CBQOVEMMSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000472084448 515116418 /nfs/dbraw/zinc/11/64/18/515116418.db2.gz ISQLOQGMBXNLHS-UHFFFAOYSA-N 1 3 372.557 2.603 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000458882383 515170351 /nfs/dbraw/zinc/17/03/51/515170351.db2.gz DZRDKDDJAXQCRE-CRAIPNDOSA-N 1 3 364.559 2.604 20 0 FFADHO CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000485752186 515172071 /nfs/dbraw/zinc/17/20/71/515172071.db2.gz SGOICTJCUUFOET-OAQYLSRUSA-N 1 3 357.542 2.917 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2ccccc2F)C1 ZINC000472257692 515187270 /nfs/dbraw/zinc/18/72/70/515187270.db2.gz BZSDNONSORUMQO-INIZCTEOSA-N 1 3 351.466 2.587 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2ccc(F)cc2)C1 ZINC000472258360 515187946 /nfs/dbraw/zinc/18/79/46/515187946.db2.gz JVAOMBIYKZVAKZ-SFHVURJKSA-N 1 3 351.466 2.587 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000485813624 515198986 /nfs/dbraw/zinc/19/89/86/515198986.db2.gz OJSQWJSUVPBKLY-LSTHTHJFSA-N 1 3 357.542 2.773 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000485813624 515198996 /nfs/dbraw/zinc/19/89/96/515198996.db2.gz OJSQWJSUVPBKLY-LSTHTHJFSA-N 1 3 357.542 2.773 20 0 FFADHO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN(C)[C@H](C(C)C)C1)c1ccco1 ZINC000509568739 515236771 /nfs/dbraw/zinc/23/67/71/515236771.db2.gz BBPDMMBEZZVVDO-BBWFWOEESA-N 1 3 350.507 2.690 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccco1 ZINC000509568036 515236812 /nfs/dbraw/zinc/23/68/12/515236812.db2.gz KJABSXVWTAPNBB-SJORKVTESA-N 1 3 362.518 2.979 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)c1ccco1 ZINC000509582931 515243921 /nfs/dbraw/zinc/24/39/21/515243921.db2.gz IUTQHJVTNHWCCA-SJORKVTESA-N 1 3 350.507 2.836 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462801194 515250785 /nfs/dbraw/zinc/25/07/85/515250785.db2.gz IDRKXYYJEISJNZ-IEBWSBKVSA-N 1 3 363.571 2.698 20 0 FFADHO COC[C@H](O)CN[C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462801357 515251335 /nfs/dbraw/zinc/25/13/35/515251335.db2.gz GNMXDIUKCSAMTO-WOJBJXKFSA-N 1 3 352.494 2.976 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N(C)C ZINC000481236818 515257038 /nfs/dbraw/zinc/25/70/38/515257038.db2.gz XYLCTOBPEMUZOV-LEAZDLGRSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N(C)C ZINC000481236818 515257044 /nfs/dbraw/zinc/25/70/44/515257044.db2.gz XYLCTOBPEMUZOV-LEAZDLGRSA-N 1 3 358.530 2.912 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000504289937 515262210 /nfs/dbraw/zinc/26/22/10/515262210.db2.gz POEGXGABVOJAIJ-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000504289937 515262218 /nfs/dbraw/zinc/26/22/18/515262218.db2.gz POEGXGABVOJAIJ-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509657099 515275449 /nfs/dbraw/zinc/27/54/49/515275449.db2.gz IIGOMXXAVCLFST-QFIPXVFZSA-N 1 3 370.585 2.862 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509657099 515275461 /nfs/dbraw/zinc/27/54/61/515275461.db2.gz IIGOMXXAVCLFST-QFIPXVFZSA-N 1 3 370.585 2.862 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@H]2CCCN2C2CCCCC2)CC1 ZINC000462897059 515288156 /nfs/dbraw/zinc/28/81/56/515288156.db2.gz RRCYKNAYJDTCRA-HXUWFJFHSA-N 1 3 365.562 2.791 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000477052016 515302994 /nfs/dbraw/zinc/30/29/94/515302994.db2.gz XGNXYXGQXKAFSS-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@H+](CCCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC1 ZINC000454232183 515326762 /nfs/dbraw/zinc/32/67/62/515326762.db2.gz TWCICXKNSUWWCP-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO C[N@@H+](CCCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC1 ZINC000454232183 515326770 /nfs/dbraw/zinc/32/67/70/515326770.db2.gz TWCICXKNSUWWCP-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO CC[NH+](CC)CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000504560324 515329140 /nfs/dbraw/zinc/32/91/40/515329140.db2.gz XXTGRJOEOLFQCM-GOSISDBHSA-N 1 3 367.484 2.992 20 0 FFADHO CC[NH+](CC)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000504572964 515331631 /nfs/dbraw/zinc/33/16/31/515331631.db2.gz OMVREEFXQJPXMC-QGZVFWFLSA-N 1 3 353.457 2.602 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000499527567 515359141 /nfs/dbraw/zinc/35/91/41/515359141.db2.gz LIZKYSPZFUMKPQ-PZJWPPBQSA-N 1 3 357.542 2.981 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000499527567 515359152 /nfs/dbraw/zinc/35/91/52/515359152.db2.gz LIZKYSPZFUMKPQ-PZJWPPBQSA-N 1 3 357.542 2.981 20 0 FFADHO CC(C)[C@H](CSc1ccccc1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000491059116 515367350 /nfs/dbraw/zinc/36/73/50/515367350.db2.gz JPZNATYROIZZIG-HKUYNNGSSA-N 1 3 363.571 2.980 20 0 FFADHO CC(C)[C@H](CSc1ccccc1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000491059116 515367354 /nfs/dbraw/zinc/36/73/54/515367354.db2.gz JPZNATYROIZZIG-HKUYNNGSSA-N 1 3 363.571 2.980 20 0 FFADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000468469420 515372065 /nfs/dbraw/zinc/37/20/65/515372065.db2.gz LAVVBYZLUUYJPV-WOJBJXKFSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000468469420 515372073 /nfs/dbraw/zinc/37/20/73/515372073.db2.gz LAVVBYZLUUYJPV-WOJBJXKFSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@]1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCCN1 ZINC000510429076 515536991 /nfs/dbraw/zinc/53/69/91/515536991.db2.gz UNQOQTJIKWQNQY-NRFANRHFSA-N 1 3 372.513 2.972 20 0 FFADHO O[C@@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459420203 515538664 /nfs/dbraw/zinc/53/86/64/515538664.db2.gz VPLUXHUMYMZXRR-RTBURBONSA-N 1 3 361.436 2.877 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)C[C@@H]21 ZINC000454509229 515538755 /nfs/dbraw/zinc/53/87/55/515538755.db2.gz LLJJCNVITUVOFY-RTWAWAEBSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCO2 ZINC000482124980 515581330 /nfs/dbraw/zinc/58/13/30/515581330.db2.gz JNIWPKSTICNHTN-QGZVFWFLSA-N 1 3 368.481 2.673 20 0 FFADHO COCC[N@@H+]1CC[C@@H](Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)C1 ZINC000477867154 515621095 /nfs/dbraw/zinc/62/10/95/515621095.db2.gz UEMLUTSTKCUDQU-LJQANCHMSA-N 1 3 360.546 2.658 20 0 FFADHO COCC[N@H+]1CC[C@@H](Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)C1 ZINC000477867154 515621101 /nfs/dbraw/zinc/62/11/01/515621101.db2.gz UEMLUTSTKCUDQU-LJQANCHMSA-N 1 3 360.546 2.658 20 0 FFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000459531579 515623402 /nfs/dbraw/zinc/62/34/02/515623402.db2.gz QODBOOMXFVOWOX-INIZCTEOSA-N 1 3 350.466 2.571 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCc3ccccc3OC2)(N2CCCCC2)CC1 ZINC000493882730 515674736 /nfs/dbraw/zinc/67/47/36/515674736.db2.gz JRBLRZSCNSKREK-HXUWFJFHSA-N 1 3 357.542 2.920 20 0 FFADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000486985389 515707365 /nfs/dbraw/zinc/70/73/65/515707365.db2.gz HOJRXRVEQGBATQ-SFHVURJKSA-N 1 3 367.497 2.536 20 0 FFADHO CN(CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000482572752 515722713 /nfs/dbraw/zinc/72/27/13/515722713.db2.gz CKGUQCWMSIFANO-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000482572752 515722721 /nfs/dbraw/zinc/72/27/21/515722721.db2.gz CKGUQCWMSIFANO-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000482647811 515751715 /nfs/dbraw/zinc/75/17/15/515751715.db2.gz CENJCYAOEJBALZ-ICSRJNTNSA-N 1 3 369.594 2.602 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)C ZINC000482702986 515775568 /nfs/dbraw/zinc/77/55/68/515775568.db2.gz BJSSGLPFARQJGW-UWVAXJGDSA-N 1 3 358.530 2.770 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)C ZINC000482702986 515775576 /nfs/dbraw/zinc/77/55/76/515775576.db2.gz BJSSGLPFARQJGW-UWVAXJGDSA-N 1 3 358.530 2.770 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511174725 515815985 /nfs/dbraw/zinc/81/59/85/515815985.db2.gz RIWFDAAKOYVWNG-SFHVURJKSA-N 1 3 365.468 2.698 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3cc(C)cc(C[NH3+])c3)cc2)CC1 ZINC000457385675 515841731 /nfs/dbraw/zinc/84/17/31/515841731.db2.gz VPYIQTKYBFOXRU-UHFFFAOYSA-N 1 3 352.482 2.848 20 0 FFADHO CC[C@@H]1CN(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494445793 515846554 /nfs/dbraw/zinc/84/65/54/515846554.db2.gz KSHVPDBCPVGDCO-LNRXMEIDSA-N 1 3 357.542 2.597 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494445793 515846560 /nfs/dbraw/zinc/84/65/60/515846560.db2.gz KSHVPDBCPVGDCO-LNRXMEIDSA-N 1 3 357.542 2.597 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494445793 515846570 /nfs/dbraw/zinc/84/65/70/515846570.db2.gz KSHVPDBCPVGDCO-LNRXMEIDSA-N 1 3 357.542 2.597 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)N(C)C)cc1 ZINC000487547098 515901975 /nfs/dbraw/zinc/90/19/75/515901975.db2.gz ZPJBLRFZHRORBG-TZIWHRDSSA-N 1 3 358.530 2.589 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)N(C)C)cc1 ZINC000487547098 515901982 /nfs/dbraw/zinc/90/19/82/515901982.db2.gz ZPJBLRFZHRORBG-TZIWHRDSSA-N 1 3 358.530 2.589 20 0 FFADHO CN(CCNC(=O)C1CC[NH+](CC[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000469723724 515937231 /nfs/dbraw/zinc/93/72/31/515937231.db2.gz YGLPRVRGQRKXCC-OAQYLSRUSA-N 1 3 373.541 2.516 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000506656612 515945070 /nfs/dbraw/zinc/94/50/70/515945070.db2.gz VJRRZSRRKCUFJK-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000506656612 515945079 /nfs/dbraw/zinc/94/50/79/515945079.db2.gz VJRRZSRRKCUFJK-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[C@@H](NC(C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000501220596 516021464 /nfs/dbraw/zinc/02/14/64/516021464.db2.gz ZFLPQZJGJCWGHO-GOSISDBHSA-N 1 3 361.534 2.717 20 0 FFADHO CC(C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[NH+]1CCC(C)CC1 ZINC000457697323 516077175 /nfs/dbraw/zinc/07/71/75/516077175.db2.gz XUGSTWZITFLMTI-FPOVZHCZSA-N 1 3 364.578 2.870 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000507077867 516079233 /nfs/dbraw/zinc/07/92/33/516079233.db2.gz PDBZDYVLVFLBSB-IAGOWNOFSA-N 1 3 366.575 2.899 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000457700968 516080077 /nfs/dbraw/zinc/08/00/77/516080077.db2.gz UOQOBIUTYAADJW-NHCUHLMSSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000457700968 516080081 /nfs/dbraw/zinc/08/00/81/516080081.db2.gz UOQOBIUTYAADJW-NHCUHLMSSA-N 1 3 372.557 2.947 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000488035565 516089298 /nfs/dbraw/zinc/08/92/98/516089298.db2.gz OPFFQKRUINZCBY-LMNJBCLMSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000488035565 516089308 /nfs/dbraw/zinc/08/93/08/516089308.db2.gz OPFFQKRUINZCBY-LMNJBCLMSA-N 1 3 356.514 2.559 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000501399151 516091272 /nfs/dbraw/zinc/09/12/72/516091272.db2.gz LMIIFIMHXYDSDN-IBGZPJMESA-N 1 3 350.551 2.767 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCC1 ZINC000455339064 516130557 /nfs/dbraw/zinc/13/05/57/516130557.db2.gz UNGHHQBDAXJFCZ-OAQYLSRUSA-N 1 3 370.541 2.778 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCC1 ZINC000455339064 516130565 /nfs/dbraw/zinc/13/05/65/516130565.db2.gz UNGHHQBDAXJFCZ-OAQYLSRUSA-N 1 3 370.541 2.778 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc2occc2c1 ZINC000512053645 516133159 /nfs/dbraw/zinc/13/31/59/516133159.db2.gz SDYLZQIDFXWEGH-FQEVSTJZSA-N 1 3 365.477 2.812 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000457791639 516148193 /nfs/dbraw/zinc/14/81/93/516148193.db2.gz HAHZHVYEOPOSNR-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000457791639 516148199 /nfs/dbraw/zinc/14/81/99/516148199.db2.gz HAHZHVYEOPOSNR-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000457791639 516148211 /nfs/dbraw/zinc/14/82/11/516148211.db2.gz HAHZHVYEOPOSNR-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000457791645 516148746 /nfs/dbraw/zinc/14/87/46/516148746.db2.gz HAHZHVYEOPOSNR-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000457791645 516148755 /nfs/dbraw/zinc/14/87/55/516148755.db2.gz HAHZHVYEOPOSNR-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000457791645 516148765 /nfs/dbraw/zinc/14/87/65/516148765.db2.gz HAHZHVYEOPOSNR-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)N(C)C)cc1 ZINC000465427399 516149601 /nfs/dbraw/zinc/14/96/01/516149601.db2.gz CLTZQZQZXGSWGU-WOJBJXKFSA-N 1 3 360.546 2.977 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465441475 516153970 /nfs/dbraw/zinc/15/39/70/516153970.db2.gz SNZSVKWKFBELJW-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465441475 516153981 /nfs/dbraw/zinc/15/39/81/516153981.db2.gz SNZSVKWKFBELJW-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000460472537 516161182 /nfs/dbraw/zinc/16/11/82/516161182.db2.gz XMLGUVDTYHUKSI-ZWKOTPCHSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000483684579 516169620 /nfs/dbraw/zinc/16/96/20/516169620.db2.gz QDFGWCCEDKQKGQ-SFTDATJTSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000483684579 516169629 /nfs/dbraw/zinc/16/96/29/516169629.db2.gz QDFGWCCEDKQKGQ-SFTDATJTSA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000465538049 516186126 /nfs/dbraw/zinc/18/61/26/516186126.db2.gz HYBSFKQPXNHZKP-LSTHTHJFSA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000465538049 516186136 /nfs/dbraw/zinc/18/61/36/516186136.db2.gz HYBSFKQPXNHZKP-LSTHTHJFSA-N 1 3 358.530 2.605 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000507381562 516195916 /nfs/dbraw/zinc/19/59/16/516195916.db2.gz OAVSVPJRLIVSKX-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000507381562 516195924 /nfs/dbraw/zinc/19/59/24/516195924.db2.gz OAVSVPJRLIVSKX-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CN1C1CC1 ZINC000488496645 516240791 /nfs/dbraw/zinc/24/07/91/516240791.db2.gz KCSLNXWBBWEQGH-JUXOCIIHSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CN1C1CC1 ZINC000488496645 516240797 /nfs/dbraw/zinc/24/07/97/516240797.db2.gz KCSLNXWBBWEQGH-JUXOCIIHSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465743474 516245021 /nfs/dbraw/zinc/24/50/21/516245021.db2.gz BZHRJWPGUOUQJU-QZTJIDSGSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465743474 516245025 /nfs/dbraw/zinc/24/50/25/516245025.db2.gz BZHRJWPGUOUQJU-QZTJIDSGSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457945535 516246538 /nfs/dbraw/zinc/24/65/38/516246538.db2.gz UUEPOXGKYNVLPA-DLBZAZTESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457945535 516246543 /nfs/dbraw/zinc/24/65/43/516246543.db2.gz UUEPOXGKYNVLPA-DLBZAZTESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000501862022 516246875 /nfs/dbraw/zinc/24/68/75/516246875.db2.gz KIPPTUWUVPNSFN-QUCCMNQESA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CCN1C ZINC000465873784 516278255 /nfs/dbraw/zinc/27/82/55/516278255.db2.gz QNFOHARUTLSDCT-QRQLOZEOSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCN1C ZINC000465873784 516278262 /nfs/dbraw/zinc/27/82/62/516278262.db2.gz QNFOHARUTLSDCT-QRQLOZEOSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1CN(CCOc2ccc(Cl)c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000484071177 516290654 /nfs/dbraw/zinc/29/06/54/516290654.db2.gz FBOSQPBFFZDFLJ-HNNXBMFYSA-N 1 3 369.912 2.958 20 0 FFADHO C[C@H]1CN(CCOc2ccc(Cl)c(F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000484071177 516290658 /nfs/dbraw/zinc/29/06/58/516290658.db2.gz FBOSQPBFFZDFLJ-HNNXBMFYSA-N 1 3 369.912 2.958 20 0 FFADHO C[C@H]1CN(CCOc2ccc(Cl)c(F)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000484071177 516290663 /nfs/dbraw/zinc/29/06/63/516290663.db2.gz FBOSQPBFFZDFLJ-HNNXBMFYSA-N 1 3 369.912 2.958 20 0 FFADHO CCS[C@H]1CCC[C@@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557635345 516350094 /nfs/dbraw/zinc/35/00/94/516350094.db2.gz YRYAILRAAIZHSL-OALUTQOASA-N 1 3 367.603 2.973 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000517539255 516355496 /nfs/dbraw/zinc/35/54/96/516355496.db2.gz ISBUQHRDDOSPSS-KLZNWCGWSA-N 1 3 350.532 2.510 20 0 FFADHO c1nc2cc(C[NH2+]CCCN3CCN(Cc4ccccc4)CC3)ccc2[nH]1 ZINC000517540005 516356005 /nfs/dbraw/zinc/35/60/05/516356005.db2.gz SDCRIVRLCYOTDR-UHFFFAOYSA-N 1 3 363.509 2.860 20 0 FFADHO c1nc2ccc(C[NH2+]CCCN3CCN(Cc4ccccc4)CC3)cc2[nH]1 ZINC000517540005 516356017 /nfs/dbraw/zinc/35/60/17/516356017.db2.gz SDCRIVRLCYOTDR-UHFFFAOYSA-N 1 3 363.509 2.860 20 0 FFADHO CCN(C)CCNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000523130688 516393837 /nfs/dbraw/zinc/39/38/37/516393837.db2.gz MNVZRWLOZVTCGH-QZTJIDSGSA-N 1 3 360.546 2.915 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)N2CCCC2)cc1 ZINC000561151656 516410171 /nfs/dbraw/zinc/41/01/71/516410171.db2.gz OIQBNVYASKEDTJ-IFMALSPDSA-N 1 3 370.541 2.917 20 0 FFADHO Cc1cnccc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000528419458 516421881 /nfs/dbraw/zinc/42/18/81/516421881.db2.gz GMMDVSKXZPSJHD-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO C[N@H+](CCNC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000523578610 516511712 /nfs/dbraw/zinc/51/17/12/516511712.db2.gz WUAZMIJQXFWJNT-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO C[N@@H+](CCNC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000523578610 516511721 /nfs/dbraw/zinc/51/17/21/516511721.db2.gz WUAZMIJQXFWJNT-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000523627636 516524232 /nfs/dbraw/zinc/52/42/32/516524232.db2.gz GOLWEAALKBZLHR-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000523627636 516524241 /nfs/dbraw/zinc/52/42/41/516524241.db2.gz GOLWEAALKBZLHR-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO O=C1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000540360496 516525763 /nfs/dbraw/zinc/52/57/63/516525763.db2.gz RXXYQEWLSUKXGL-PWRODBHTSA-N 1 3 353.510 2.607 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000523662033 516535645 /nfs/dbraw/zinc/53/56/45/516535645.db2.gz BWEADCGWTPVAAZ-OAQYLSRUSA-N 1 3 370.541 2.628 20 0 FFADHO [NH3+][C@@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)Cc1ccccc1 ZINC000518192857 516572058 /nfs/dbraw/zinc/57/20/58/516572058.db2.gz AJTITJUOXZPNOH-LJQANCHMSA-N 1 3 367.493 2.542 20 0 FFADHO CCC[NH+]1CCC(NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000531677759 516592967 /nfs/dbraw/zinc/59/29/67/516592967.db2.gz XLJUJDPKYXZPRN-GOSISDBHSA-N 1 3 350.576 2.501 20 0 FFADHO CCCN1CCC([NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000531677759 516592974 /nfs/dbraw/zinc/59/29/74/516592974.db2.gz XLJUJDPKYXZPRN-GOSISDBHSA-N 1 3 350.576 2.501 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528682920 516613373 /nfs/dbraw/zinc/61/33/73/516613373.db2.gz DHOIFOMOLJUSRI-LJQANCHMSA-N 1 3 372.513 2.957 20 0 FFADHO C[C@H](C(=O)NCC1=CC[N@H+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000540550188 516615407 /nfs/dbraw/zinc/61/54/07/516615407.db2.gz VETCXNKZKZQCMQ-GOSISDBHSA-N 1 3 355.526 2.708 20 0 FFADHO C[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000540550188 516615417 /nfs/dbraw/zinc/61/54/17/516615417.db2.gz VETCXNKZKZQCMQ-GOSISDBHSA-N 1 3 355.526 2.708 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551264292 516632114 /nfs/dbraw/zinc/63/21/14/516632114.db2.gz XRMBEWJBZBUJMO-HJNYFJLDSA-N 1 3 371.569 2.845 20 0 FFADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CCN(C2CCCCC2)CC1 ZINC000528719669 516643949 /nfs/dbraw/zinc/64/39/49/516643949.db2.gz KAOHEGDTPBPZSU-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO CN1CCO[C@H](CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000513684443 516718496 /nfs/dbraw/zinc/71/84/96/516718496.db2.gz RKJBMYSFZOFFIL-YUMYIRISSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCO[C@H](CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000513684443 516718502 /nfs/dbraw/zinc/71/85/02/516718502.db2.gz RKJBMYSFZOFFIL-YUMYIRISSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000513684443 516718508 /nfs/dbraw/zinc/71/85/08/516718508.db2.gz RKJBMYSFZOFFIL-YUMYIRISSA-N 1 3 357.542 2.597 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000536417884 516756281 /nfs/dbraw/zinc/75/62/81/516756281.db2.gz CXLJFWIEFQOEKV-RBBKRZOGSA-N 1 3 373.541 2.646 20 0 FFADHO C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000544491292 516782778 /nfs/dbraw/zinc/78/27/78/516782778.db2.gz ZXBNLWMSSXFMSL-VQTJNVASSA-N 1 3 351.579 2.931 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699205 516827930 /nfs/dbraw/zinc/82/79/30/516827930.db2.gz QZSAXZSPHDDIMO-PKTZIBPZSA-N 1 3 371.569 2.941 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699205 516827937 /nfs/dbraw/zinc/82/79/37/516827937.db2.gz QZSAXZSPHDDIMO-PKTZIBPZSA-N 1 3 371.569 2.941 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000536652126 516874625 /nfs/dbraw/zinc/87/46/25/516874625.db2.gz NBYBIRGEYWJVIW-UHFFFAOYSA-N 1 3 352.548 2.532 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000536652126 516874631 /nfs/dbraw/zinc/87/46/31/516874631.db2.gz NBYBIRGEYWJVIW-UHFFFAOYSA-N 1 3 352.548 2.532 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000514161546 516885669 /nfs/dbraw/zinc/88/56/69/516885669.db2.gz BPMLVYYCWDXZJJ-HXUWFJFHSA-N 1 3 358.530 2.915 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000555335948 516887188 /nfs/dbraw/zinc/88/71/88/516887188.db2.gz GLRVENFFOGEURX-LJQANCHMSA-N 1 3 371.529 2.817 20 0 FFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C(C)C ZINC000559012689 517040274 /nfs/dbraw/zinc/04/02/74/517040274.db2.gz PWRZMTMXJIIDPZ-UHFFFAOYSA-N 1 3 370.488 2.768 20 0 FFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C(C)C ZINC000559012689 517040282 /nfs/dbraw/zinc/04/02/82/517040282.db2.gz PWRZMTMXJIIDPZ-UHFFFAOYSA-N 1 3 370.488 2.768 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000525452124 517045271 /nfs/dbraw/zinc/04/52/71/517045271.db2.gz NZWRQZLLJFYJTD-UHFFFAOYSA-N 1 3 362.562 2.661 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000562348216 517047208 /nfs/dbraw/zinc/04/72/08/517047208.db2.gz PZENBPHHHYNOPV-WOJBJXKFSA-N 1 3 360.546 2.848 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529327676 517084390 /nfs/dbraw/zinc/08/43/90/517084390.db2.gz CGWHIFAFGDKFSR-MOPGFXCFSA-N 1 3 370.541 2.871 20 0 FFADHO C[C@H](NCCCC[NH+]1CCN(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000545231976 517120048 /nfs/dbraw/zinc/12/00/48/517120048.db2.gz AYZYBUVAWJEJNH-LBPRGKRZSA-N 1 3 350.454 2.840 20 0 FFADHO O=C1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000552263709 517168128 /nfs/dbraw/zinc/16/81/28/517168128.db2.gz MYJVABDAJGWELM-XRXFAXGQSA-N 1 3 355.526 2.936 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000515058156 517193603 /nfs/dbraw/zinc/19/36/03/517193603.db2.gz KWTGPJTZHIXVKT-LAUBAEHRSA-N 1 3 366.509 2.998 20 0 FFADHO CC[NH+](CC)CCOCCNCc1cc2c(c(Br)c1)OCO2 ZINC000541761537 517203542 /nfs/dbraw/zinc/20/35/42/517203542.db2.gz DHFWQIGPWPKDOA-UHFFFAOYSA-N 1 3 373.291 2.626 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000548794021 517218674 /nfs/dbraw/zinc/21/86/74/517218674.db2.gz QQEQQEPYGLEVLV-FQEVSTJZSA-N 1 3 362.514 2.692 20 0 FFADHO C[C@@H](CC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)N1CCCCC1 ZINC000556173737 517298255 /nfs/dbraw/zinc/29/82/55/517298255.db2.gz YSQALMIBYPDERS-HNAYVOBHSA-N 1 3 365.543 2.566 20 0 FFADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000542136513 517399707 /nfs/dbraw/zinc/39/97/07/517399707.db2.gz DVXCCUVTRASSLX-OAHLLOKOSA-N 1 3 361.486 2.654 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000562795185 517408658 /nfs/dbraw/zinc/40/86/58/517408658.db2.gz FKKYJPVKMLASPJ-GVDBMIGSSA-N 1 3 362.543 2.572 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)NCCN(C)C2CC2)CC1)CC(C)C ZINC000538056413 517453227 /nfs/dbraw/zinc/45/32/27/517453227.db2.gz NRPCXMXAFQNSRB-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)NCCN(C)C2CC2)CC1)CC(C)C ZINC000538056413 517453237 /nfs/dbraw/zinc/45/32/37/517453237.db2.gz NRPCXMXAFQNSRB-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO CN(C)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549208213 517457044 /nfs/dbraw/zinc/45/70/44/517457044.db2.gz VEWIFJIYOXNIEV-LEWJYISDSA-N 1 3 366.509 2.515 20 0 FFADHO CN(C)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549208213 517457047 /nfs/dbraw/zinc/45/70/47/517457047.db2.gz VEWIFJIYOXNIEV-LEWJYISDSA-N 1 3 366.509 2.515 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCN1C ZINC000559891072 517474876 /nfs/dbraw/zinc/47/48/76/517474876.db2.gz MZAWUCSVKJGCGC-FCEUIQTBSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000559922209 517489706 /nfs/dbraw/zinc/48/97/06/517489706.db2.gz QLQOJGUWGFAOBT-HUUCEWRRSA-N 1 3 370.335 2.853 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000515841323 517493004 /nfs/dbraw/zinc/49/30/04/517493004.db2.gz QHPSZAKZJQGMQN-YLJYHZDGSA-N 1 3 360.546 2.883 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000520784285 517511914 /nfs/dbraw/zinc/51/19/14/517511914.db2.gz CLTNZGSHKDZOMP-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553145140 517542757 /nfs/dbraw/zinc/54/27/57/517542757.db2.gz BMNWGWOBMIGOBB-UXHICEINSA-N 1 3 373.566 2.595 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NCC2=CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000538387003 517598913 /nfs/dbraw/zinc/59/89/13/517598913.db2.gz JZJOYQLXALEPNT-WIYYLYMNSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NCC2=CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000538387003 517598927 /nfs/dbraw/zinc/59/89/27/517598927.db2.gz JZJOYQLXALEPNT-WIYYLYMNSA-N 1 3 370.541 2.848 20 0 FFADHO CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530224244 517637013 /nfs/dbraw/zinc/63/70/13/517637013.db2.gz LEIAKQKLDFAROQ-XQBPLPMBSA-N 1 3 363.461 2.659 20 0 FFADHO c1cc(OC[C@H]2CCCO2)ccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243475 517650548 /nfs/dbraw/zinc/65/05/48/517650548.db2.gz YKVOLKKZEQDQQB-FGZHOGPDSA-N 1 3 374.525 2.835 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247923 517654906 /nfs/dbraw/zinc/65/49/06/517654906.db2.gz DGZVZTXDKHPJLY-NRFANRHFSA-N 1 3 354.498 2.771 20 0 FFADHO C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000521371028 517708555 /nfs/dbraw/zinc/70/85/55/517708555.db2.gz ZIYXFSAMJWBHRK-LAUBAEHRSA-N 1 3 357.542 2.786 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000530345980 517718528 /nfs/dbraw/zinc/71/85/28/517718528.db2.gz YELLLCWZODPYQS-UHFFFAOYSA-N 1 3 360.546 2.631 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCN(C)c1ccncc1 ZINC000542785233 517740228 /nfs/dbraw/zinc/74/02/28/517740228.db2.gz FJJZCAITUGERKQ-HXUWFJFHSA-N 1 3 366.509 2.888 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCN(C)c1ccncc1 ZINC000542785233 517740235 /nfs/dbraw/zinc/74/02/35/517740235.db2.gz FJJZCAITUGERKQ-HXUWFJFHSA-N 1 3 366.509 2.888 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000516554990 517741160 /nfs/dbraw/zinc/74/11/60/517741160.db2.gz IAHSJUUVPWMPSE-OAQYLSRUSA-N 1 3 358.530 2.682 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)s2)cn1 ZINC000556958554 517775586 /nfs/dbraw/zinc/77/55/86/517775586.db2.gz UTEVWQJYDRQVKQ-IEBWSBKVSA-N 1 3 360.527 2.867 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000516682547 517806980 /nfs/dbraw/zinc/80/69/80/517806980.db2.gz VHXGSMYLBHBZTA-GGPKGHCWSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000516682547 517806988 /nfs/dbraw/zinc/80/69/88/517806988.db2.gz VHXGSMYLBHBZTA-GGPKGHCWSA-N 1 3 360.546 2.579 20 0 FFADHO COc1ccc(C[C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)c(C)c1OC ZINC000560527124 517874707 /nfs/dbraw/zinc/87/47/07/517874707.db2.gz AFTNVKYXLRZCQI-APWZRJJASA-N 1 3 364.530 2.626 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000557137906 517877163 /nfs/dbraw/zinc/87/71/63/517877163.db2.gz KILUCHAMIQPDMY-IXDOHACOSA-N 1 3 364.559 2.948 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000560533966 517878770 /nfs/dbraw/zinc/87/87/70/517878770.db2.gz PGWUXSYPZASNTD-QGZVFWFLSA-N 1 3 352.548 2.604 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000539058792 517896716 /nfs/dbraw/zinc/89/67/16/517896716.db2.gz GXLCUDDAHDMQKS-FDFHNCONSA-N 1 3 366.509 2.728 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000521914075 517897771 /nfs/dbraw/zinc/89/77/71/517897771.db2.gz IXWYVSMSAHMKCN-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530663212 517908670 /nfs/dbraw/zinc/90/86/70/517908670.db2.gz AIKDVUOEUMLOHO-PGRDOPGGSA-N 1 3 367.493 2.630 20 0 FFADHO C[C@@H](CC(=O)Nc1ccccc1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530663212 517908683 /nfs/dbraw/zinc/90/86/83/517908683.db2.gz AIKDVUOEUMLOHO-PGRDOPGGSA-N 1 3 367.493 2.630 20 0 FFADHO CN(CCCN(C)C(=O)NCC1([NH+](C)C)CCCC1)Cc1ccco1 ZINC000553941829 517981764 /nfs/dbraw/zinc/98/17/64/517981764.db2.gz XAUODFLYJMHTOB-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@@H]1c1cccs1 ZINC000563581607 517996925 /nfs/dbraw/zinc/99/69/25/517996925.db2.gz RNJRATPSBHFLEI-KCYZZUKISA-N 1 3 350.532 2.558 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@@H]1c1cccs1 ZINC000563581610 517996972 /nfs/dbraw/zinc/99/69/72/517996972.db2.gz RNJRATPSBHFLEI-KLZNWCGWSA-N 1 3 350.532 2.558 20 0 FFADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCN2CCCCCC2)[C@H](C(F)(F)F)C1 ZINC000557516007 518049359 /nfs/dbraw/zinc/04/93/59/518049359.db2.gz KAXXHVZJMXNKGH-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCCN2CCCCCC2)[C@H](C(F)(F)F)C1 ZINC000557516007 518049368 /nfs/dbraw/zinc/04/93/68/518049368.db2.gz KAXXHVZJMXNKGH-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000522289556 518066126 /nfs/dbraw/zinc/06/61/26/518066126.db2.gz NQYWTHVZPQGRLW-YLJYHZDGSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000522289556 518066138 /nfs/dbraw/zinc/06/61/38/518066138.db2.gz NQYWTHVZPQGRLW-YLJYHZDGSA-N 1 3 370.541 2.954 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCC1 ZINC000522291076 518067332 /nfs/dbraw/zinc/06/73/32/518067332.db2.gz VTNNIVMUZKVCOF-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000522293960 518068488 /nfs/dbraw/zinc/06/84/88/518068488.db2.gz QDHOODCICAKRGJ-ICSRJNTNSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1CCCO1 ZINC000543400299 518071341 /nfs/dbraw/zinc/07/13/41/518071341.db2.gz APTYLDYQGFBGSY-UTKZUKDTSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@@H]1CCCO1 ZINC000543400299 518071347 /nfs/dbraw/zinc/07/13/47/518071347.db2.gz APTYLDYQGFBGSY-UTKZUKDTSA-N 1 3 362.514 2.833 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000517269729 518100402 /nfs/dbraw/zinc/10/04/02/518100402.db2.gz XVPQAPPCECEKDZ-PXNSSMCTSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H](NCCC(=O)NCC(=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460337 518104627 /nfs/dbraw/zinc/10/46/27/518104627.db2.gz LIHCDQAEUPQEDT-MJGOQNOKSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@@H](NCCC(=O)NCC(=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460337 518104636 /nfs/dbraw/zinc/10/46/36/518104636.db2.gz LIHCDQAEUPQEDT-MJGOQNOKSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000543460337 518104645 /nfs/dbraw/zinc/10/46/45/518104645.db2.gz LIHCDQAEUPQEDT-MJGOQNOKSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@H](NCCC(=O)NCC(=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460333 518104700 /nfs/dbraw/zinc/10/47/00/518104700.db2.gz LIHCDQAEUPQEDT-HKUYNNGSSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@H](NCCC(=O)NCC(=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460333 518104711 /nfs/dbraw/zinc/10/47/11/518104711.db2.gz LIHCDQAEUPQEDT-HKUYNNGSSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000543460333 518104717 /nfs/dbraw/zinc/10/47/17/518104717.db2.gz LIHCDQAEUPQEDT-HKUYNNGSSA-N 1 3 371.525 2.618 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000517367366 518130432 /nfs/dbraw/zinc/13/04/32/518130432.db2.gz JUIZLBFHIDWJEX-BXWFABGCSA-N 1 3 360.546 2.884 20 0 FFADHO COc1ccc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1F ZINC000539645756 518130749 /nfs/dbraw/zinc/13/07/49/518130749.db2.gz QJEOFTSYZSTWKZ-YOEHRIQHSA-N 1 3 353.482 2.577 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000575732742 518254534 /nfs/dbraw/zinc/25/45/34/518254534.db2.gz AWTCSYGRPDPVIW-GFOJFJKKSA-N 1 3 370.541 2.511 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000566909754 518261222 /nfs/dbraw/zinc/26/12/22/518261222.db2.gz NPZFLNAPNOWWPA-RTBURBONSA-N 1 3 360.502 2.943 20 0 FFADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000578606247 518287208 /nfs/dbraw/zinc/28/72/08/518287208.db2.gz LXGQJHSJGJSJKD-LPHOPBHVSA-N 1 3 360.502 2.671 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)N2CCCC2)cc1 ZINC000578623549 518298064 /nfs/dbraw/zinc/29/80/64/518298064.db2.gz VGBZWQSRCMOAEX-AZUAARDMSA-N 1 3 358.530 2.902 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000575923863 518345193 /nfs/dbraw/zinc/34/51/93/518345193.db2.gz OBUOEKPZKLBPFV-VZKPYBMVSA-N 1 3 371.525 2.869 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000567095983 518348802 /nfs/dbraw/zinc/34/88/02/518348802.db2.gz NVZUUNLSJAHNMQ-PKOBYXMFSA-N 1 3 358.530 2.941 20 0 FFADHO CCN(C(=O)NCC1CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000564310241 518392840 /nfs/dbraw/zinc/39/28/40/518392840.db2.gz VEJPDUWHSGZESU-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000564320093 518397488 /nfs/dbraw/zinc/39/74/88/518397488.db2.gz USXBGJXFMYCGFG-HXUWFJFHSA-N 1 3 355.530 2.925 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000564320093 518397497 /nfs/dbraw/zinc/39/74/97/518397497.db2.gz USXBGJXFMYCGFG-HXUWFJFHSA-N 1 3 355.530 2.925 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(C(C)=O)c3)CC2)CC1 ZINC000584664738 518420194 /nfs/dbraw/zinc/42/01/94/518420194.db2.gz OLHTZGUWPWBWPA-UHFFFAOYSA-N 1 3 371.525 2.702 20 0 FFADHO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000570054923 518420971 /nfs/dbraw/zinc/42/09/71/518420971.db2.gz FULQZMQSIDXWCY-CEXWTWQISA-N 1 3 361.917 2.730 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)c(C)c2)CC1 ZINC000576129609 518443812 /nfs/dbraw/zinc/44/38/12/518443812.db2.gz RMBICKFBFWUCAQ-MSOLQXFVSA-N 1 3 373.545 2.728 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)[C@H]1c1ccccc1 ZINC000570182638 518483495 /nfs/dbraw/zinc/48/34/95/518483495.db2.gz XUHHONULOBAKRM-RTBURBONSA-N 1 3 358.530 2.996 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000567392122 518502296 /nfs/dbraw/zinc/50/22/96/518502296.db2.gz FNXXUWJYHQJRTF-TXCZRRACSA-N 1 3 369.431 2.942 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000576282447 518517617 /nfs/dbraw/zinc/51/76/17/518517617.db2.gz IIYDYJIEJVKPMU-WIYYLYMNSA-N 1 3 356.514 2.536 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC3CCOCC3)CC2)CC1 ZINC000570294744 518537885 /nfs/dbraw/zinc/53/78/85/518537885.db2.gz WXAKWIRPAUMIFQ-UHFFFAOYSA-N 1 3 365.562 2.506 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@]1(C)CCCO1 ZINC000579133622 518538405 /nfs/dbraw/zinc/53/84/05/518538405.db2.gz XQSWLYWVEZEXAA-LAUBAEHRSA-N 1 3 359.514 2.559 20 0 FFADHO CC(C)CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C1CCN(C)CC1 ZINC000582011766 518546411 /nfs/dbraw/zinc/54/64/11/518546411.db2.gz MNTRKRPEYFGQOQ-LJQANCHMSA-N 1 3 367.603 2.783 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000576407338 518577867 /nfs/dbraw/zinc/57/78/67/518577867.db2.gz RSYIDOMIJFEBFI-MJGOQNOKSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@@H](NCCC(=O)Nc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576407338 518577872 /nfs/dbraw/zinc/57/78/72/518577872.db2.gz RSYIDOMIJFEBFI-MJGOQNOKSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@@H](NCCC(=O)Nc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576407338 518577880 /nfs/dbraw/zinc/57/78/80/518577880.db2.gz RSYIDOMIJFEBFI-MJGOQNOKSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000567647725 518630781 /nfs/dbraw/zinc/63/07/81/518630781.db2.gz QXZMUMNKWKTRBY-FFZOFVMBSA-N 1 3 364.493 2.927 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000567647724 518631329 /nfs/dbraw/zinc/63/13/29/518631329.db2.gz QXZMUMNKWKTRBY-DBVUQKKJSA-N 1 3 364.493 2.927 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)[C@@H]3CCCNC3)CC2)cc1 ZINC000564823352 518635092 /nfs/dbraw/zinc/63/50/92/518635092.db2.gz LRGQWCDRIUGQJZ-VQIMIIECSA-N 1 3 358.530 2.587 20 0 FFADHO C[NH+](C)CCOc1ccc(CNCc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000586784148 518641460 /nfs/dbraw/zinc/64/14/60/518641460.db2.gz VNOBCKJKKRJOKT-RUZDIDTESA-N 1 3 360.523 2.795 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000587018651 518675374 /nfs/dbraw/zinc/67/53/74/518675374.db2.gz NLCZHSKFUQBPDA-UHFFFAOYSA-N 1 3 372.557 2.944 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)CCOC(C)C)C2)s1 ZINC000579480792 518701962 /nfs/dbraw/zinc/70/19/62/518701962.db2.gz XPLSSJFEGIKNGN-MSOLQXFVSA-N 1 3 354.560 2.986 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)CCOC(C)C)C2)s1 ZINC000579480792 518701968 /nfs/dbraw/zinc/70/19/68/518701968.db2.gz XPLSSJFEGIKNGN-MSOLQXFVSA-N 1 3 354.560 2.986 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CC/C=C\c3cncc(OC)c3)CC2)CC1 ZINC000567789901 518711699 /nfs/dbraw/zinc/71/16/99/518711699.db2.gz HMELIQHLHAREPN-DAXSKMNVSA-N 1 3 372.557 2.986 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CC/C=C\c3cncc(OC)c3)CC2)CC1 ZINC000567789901 518711701 /nfs/dbraw/zinc/71/17/01/518711701.db2.gz HMELIQHLHAREPN-DAXSKMNVSA-N 1 3 372.557 2.986 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(C[NH3+])cc1)N(C)C ZINC000567820866 518729460 /nfs/dbraw/zinc/72/94/60/518729460.db2.gz QSMXCCLOEHVWEL-OXJNMPFZSA-N 1 3 354.498 2.944 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000582409948 518740710 /nfs/dbraw/zinc/74/07/10/518740710.db2.gz KVHYLBUSFOTWDU-MISYRCLQSA-N 1 3 372.557 2.974 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000573605092 518747830 /nfs/dbraw/zinc/74/78/30/518747830.db2.gz KLGZHVUXIGJDIR-GOSISDBHSA-N 1 3 366.509 2.809 20 0 FFADHO C[N@H+](C[C@H](O)CNCC1(c2ccccc2Br)CC1)C1CC1 ZINC000570795338 518783706 /nfs/dbraw/zinc/78/37/06/518783706.db2.gz QYDYGGDLCBKCGY-CQSZACIVSA-N 1 3 353.304 2.525 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC1(c2ccccc2Br)CC1)C1CC1 ZINC000570795338 518783710 /nfs/dbraw/zinc/78/37/10/518783710.db2.gz QYDYGGDLCBKCGY-CQSZACIVSA-N 1 3 353.304 2.525 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCC(OC)CC3)CC2)CC1 ZINC000576835624 518786858 /nfs/dbraw/zinc/78/68/58/518786858.db2.gz IERDOIATLZSFKK-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CCC[N@@H+](CC(C)C)C3)c2cc1C ZINC000582542291 518805244 /nfs/dbraw/zinc/80/52/44/518805244.db2.gz QNCXGSLIOOZOQC-WOJBJXKFSA-N 1 3 372.557 2.972 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@H]3CCC[N@H+](CC(C)C)C3)c2cc1C ZINC000582542291 518805247 /nfs/dbraw/zinc/80/52/47/518805247.db2.gz QNCXGSLIOOZOQC-WOJBJXKFSA-N 1 3 372.557 2.972 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@H]3CCCN(CC(C)C)C3)c2cc1C ZINC000582542291 518805250 /nfs/dbraw/zinc/80/52/50/518805250.db2.gz QNCXGSLIOOZOQC-WOJBJXKFSA-N 1 3 372.557 2.972 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000579730218 518825300 /nfs/dbraw/zinc/82/53/00/518825300.db2.gz PWYCPLSWRZLCOG-HLAWJBBLSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000579730218 518825305 /nfs/dbraw/zinc/82/53/05/518825305.db2.gz PWYCPLSWRZLCOG-HLAWJBBLSA-N 1 3 355.526 2.841 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000582604161 518834073 /nfs/dbraw/zinc/83/40/73/518834073.db2.gz PPMKTWJOAXRDPX-FQEVSTJZSA-N 1 3 355.482 2.585 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000570910468 518837087 /nfs/dbraw/zinc/83/70/87/518837087.db2.gz BGZIXCGYZKHDJK-SFHVURJKSA-N 1 3 358.530 2.648 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C2CC(OC(C)(C)C)C2)CC1 ZINC000579757482 518837816 /nfs/dbraw/zinc/83/78/16/518837816.db2.gz YNKVKPXEDABXQJ-UHFFFAOYSA-N 1 3 367.578 2.749 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)c1conc1C(C)(C)N)c1cccc(OC)c1 ZINC000565218210 518849288 /nfs/dbraw/zinc/84/92/88/518849288.db2.gz OYANYPZAQZBTPE-QGZVFWFLSA-N 1 3 374.485 2.690 20 0 FFADHO C[C@H](CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)N(C)Cc1ccccc1 ZINC000579813295 518867333 /nfs/dbraw/zinc/86/73/33/518867333.db2.gz FQEVEZCXFQWFDS-QAPCUYQASA-N 1 3 367.497 2.540 20 0 FFADHO CC[NH2+]CC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000582786739 518922581 /nfs/dbraw/zinc/92/25/81/518922581.db2.gz AUJOTIAWLIJWAC-IBGZPJMESA-N 1 3 365.468 2.777 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000582805479 518930651 /nfs/dbraw/zinc/93/06/51/518930651.db2.gz PFPKYAKNGJQXFJ-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C3CC3)C(F)(F)F)CC2)CC1 ZINC000568222067 518935392 /nfs/dbraw/zinc/93/53/92/518935392.db2.gz IGFYWWZDSWHAJR-INIZCTEOSA-N 1 3 361.452 2.640 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000574022233 518948800 /nfs/dbraw/zinc/94/88/00/518948800.db2.gz JKOVXXCKLVKAQL-OAHLLOKOSA-N 1 3 360.502 2.801 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000574022233 518948808 /nfs/dbraw/zinc/94/88/08/518948808.db2.gz JKOVXXCKLVKAQL-OAHLLOKOSA-N 1 3 360.502 2.801 20 0 FFADHO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000565429279 518952613 /nfs/dbraw/zinc/95/26/13/518952613.db2.gz WDDSNUPXSNOCFZ-ZPAWYTMASA-N 1 3 352.563 2.875 20 0 FFADHO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000565429279 518952620 /nfs/dbraw/zinc/95/26/20/518952620.db2.gz WDDSNUPXSNOCFZ-ZPAWYTMASA-N 1 3 352.563 2.875 20 0 FFADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000565429279 518952624 /nfs/dbraw/zinc/95/26/24/518952624.db2.gz WDDSNUPXSNOCFZ-ZPAWYTMASA-N 1 3 352.563 2.875 20 0 FFADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000565429279 518952630 /nfs/dbraw/zinc/95/26/30/518952630.db2.gz WDDSNUPXSNOCFZ-ZPAWYTMASA-N 1 3 352.563 2.875 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000589210497 518952973 /nfs/dbraw/zinc/95/29/73/518952973.db2.gz ZRSAITALDMEKNV-YLJYHZDGSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000589210497 518952981 /nfs/dbraw/zinc/95/29/81/518952981.db2.gz ZRSAITALDMEKNV-YLJYHZDGSA-N 1 3 360.546 2.853 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000574044415 518960736 /nfs/dbraw/zinc/96/07/36/518960736.db2.gz DHQIORZNHGGVIQ-OAQYLSRUSA-N 1 3 358.530 2.825 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000580090220 519002745 /nfs/dbraw/zinc/00/27/45/519002745.db2.gz OVHJUWLURLFBIR-SFTDATJTSA-N 1 3 355.526 2.855 20 0 FFADHO CC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCS1 ZINC000577296400 519011034 /nfs/dbraw/zinc/01/10/34/519011034.db2.gz ZKBIGJVGJIQQGI-SFHVURJKSA-N 1 3 353.576 2.537 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000582992577 519024122 /nfs/dbraw/zinc/02/41/22/519024122.db2.gz DHOZWBGBGZMPND-ROUUACIJSA-N 1 3 352.567 2.726 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000582992577 519024130 /nfs/dbraw/zinc/02/41/30/519024130.db2.gz DHOZWBGBGZMPND-ROUUACIJSA-N 1 3 352.567 2.726 20 0 FFADHO Clc1cc(Cl)cc(OCC2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000565599085 519036954 /nfs/dbraw/zinc/03/69/54/519036954.db2.gz ISZUFRXFDDGIFD-UHFFFAOYSA-N 1 3 372.340 2.989 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2CN)cc1 ZINC000565714872 519096411 /nfs/dbraw/zinc/09/64/11/519096411.db2.gz PYZPRXPTBHSOFA-NRFANRHFSA-N 1 3 366.509 2.558 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[NH2+]CC1CC1 ZINC000577510689 519118779 /nfs/dbraw/zinc/11/87/79/519118779.db2.gz MYQUMQBKMJUPLC-LJQANCHMSA-N 1 3 367.497 2.577 20 0 FFADHO CN1CC[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000568608511 519126258 /nfs/dbraw/zinc/12/62/58/519126258.db2.gz CCPACQGBFSMXKW-JSXRDJHFSA-N 1 3 364.493 2.568 20 0 FFADHO CC1CCN([C@H](CNC(=O)COC2CCC([NH3+])CC2)c2ccccc2)CC1 ZINC000571555889 519156435 /nfs/dbraw/zinc/15/64/35/519156435.db2.gz DETBXUAPEBHMCE-XVAXZDLZSA-N 1 3 373.541 2.862 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000590147625 519160941 /nfs/dbraw/zinc/16/09/41/519160941.db2.gz ZMRFDHOJAWESRW-FQEVSTJZSA-N 1 3 358.530 2.999 20 0 FFADHO Cc1cccc(OC[C@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000565887655 519181512 /nfs/dbraw/zinc/18/15/12/519181512.db2.gz ZEYVOGZQKDMOHJ-HXUWFJFHSA-N 1 3 355.482 2.636 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000583369297 519211843 /nfs/dbraw/zinc/21/18/43/519211843.db2.gz ODXXGNYWIYCNFU-DLBZAZTESA-N 1 3 360.502 2.752 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCN(C2CC2)C1 ZINC000580632783 519275107 /nfs/dbraw/zinc/27/51/07/519275107.db2.gz AQVMVBYXDZSPOA-IIBYNOLFSA-N 1 3 366.509 2.965 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(OC)cc3)CC2)CC1 ZINC000574704471 519290242 /nfs/dbraw/zinc/29/02/42/519290242.db2.gz XFAROGJJLODTLI-UHFFFAOYSA-N 1 3 359.514 2.854 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583613597 519341107 /nfs/dbraw/zinc/34/11/07/519341107.db2.gz WJGQFLQFSIXEFR-FPOVZHCZSA-N 1 3 356.514 2.609 20 0 FFADHO CCN(C(=O)COC1CCC([NH3+])CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000578010955 519371180 /nfs/dbraw/zinc/37/11/80/519371180.db2.gz IVSUBFHLQVXCOM-RCKXYERXSA-N 1 3 373.541 2.957 20 0 FFADHO CN(CCC[NH3+])C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000580822220 519378005 /nfs/dbraw/zinc/37/80/05/519378005.db2.gz PTLQNYXYTDTYFL-UHFFFAOYSA-N 1 3 354.882 2.626 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC2CCCCC2)[C@@H](C)C1 ZINC000566297829 519420216 /nfs/dbraw/zinc/42/02/16/519420216.db2.gz RDZGOEQOPMDTEZ-WDSOQIARSA-N 1 3 353.551 2.537 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC2CCCCC2)[C@@H](C)C1 ZINC000566297829 519420225 /nfs/dbraw/zinc/42/02/25/519420225.db2.gz RDZGOEQOPMDTEZ-WDSOQIARSA-N 1 3 353.551 2.537 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC2CCCCC2)[C@H](C)C1 ZINC000566297822 519420872 /nfs/dbraw/zinc/42/08/72/519420872.db2.gz RDZGOEQOPMDTEZ-NEWSRXKRSA-N 1 3 353.551 2.537 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC2CCCCC2)[C@H](C)C1 ZINC000566297822 519420878 /nfs/dbraw/zinc/42/08/78/519420878.db2.gz RDZGOEQOPMDTEZ-NEWSRXKRSA-N 1 3 353.551 2.537 20 0 FFADHO C[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCC[C@H]1C ZINC000583858144 519469528 /nfs/dbraw/zinc/46/95/28/519469528.db2.gz FFQWUGODJWSZFN-JFIYKMOQSA-N 1 3 353.576 2.583 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCc2cncn2C)CC1 ZINC000566417550 519481710 /nfs/dbraw/zinc/48/17/10/519481710.db2.gz WDWJGKBVSIYELF-QGZVFWFLSA-N 1 3 373.520 2.985 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)C[C@@H](C)O1 ZINC000578240390 519493724 /nfs/dbraw/zinc/49/37/24/519493724.db2.gz QJEMPQJIBRGROG-LMMKCTJWSA-N 1 3 365.562 2.503 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000578246183 519496390 /nfs/dbraw/zinc/49/63/90/519496390.db2.gz KMARUVQLJOJNED-NRFANRHFSA-N 1 3 353.510 2.693 20 0 FFADHO C[C@H](OCCCNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000581072219 519510219 /nfs/dbraw/zinc/51/02/19/519510219.db2.gz ZUVPIXKCDHMAND-JBACZVJFSA-N 1 3 373.541 2.592 20 0 FFADHO C[NH2+]CCCC(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000572240428 519514325 /nfs/dbraw/zinc/51/43/25/519514325.db2.gz ITAHCQHDOKEABL-GOSISDBHSA-N 1 3 355.486 2.577 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000581189908 519568258 /nfs/dbraw/zinc/56/82/58/519568258.db2.gz DXKKLYROFZXPSE-LMCOJAPRSA-N 1 3 353.510 2.783 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000581189908 519568263 /nfs/dbraw/zinc/56/82/63/519568263.db2.gz DXKKLYROFZXPSE-LMCOJAPRSA-N 1 3 353.510 2.783 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000591560459 519952412 /nfs/dbraw/zinc/95/24/12/519952412.db2.gz JBAWRDPQUOJUSR-LPHOPBHVSA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000591560459 519952417 /nfs/dbraw/zinc/95/24/17/519952417.db2.gz JBAWRDPQUOJUSR-LPHOPBHVSA-N 1 3 358.530 2.605 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](Cn2cccn2)c2ccccc2)CC[NH2+]CC1 ZINC000591567556 519954297 /nfs/dbraw/zinc/95/42/97/519954297.db2.gz VCSRUFMFQYHXBI-HKUYNNGSSA-N 1 3 370.497 2.535 20 0 FFADHO C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C1CC1 ZINC000591616494 519972468 /nfs/dbraw/zinc/97/24/68/519972468.db2.gz PIFGRKYYTFZWFL-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000608676045 520076169 /nfs/dbraw/zinc/07/61/69/520076169.db2.gz ZWRVEMXMIZTDGS-RBUKOAKNSA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000608676045 520076177 /nfs/dbraw/zinc/07/61/77/520076177.db2.gz ZWRVEMXMIZTDGS-RBUKOAKNSA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000608676044 520077136 /nfs/dbraw/zinc/07/71/36/520077136.db2.gz ZWRVEMXMIZTDGS-OALUTQOASA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000608676044 520077146 /nfs/dbraw/zinc/07/71/46/520077146.db2.gz ZWRVEMXMIZTDGS-OALUTQOASA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000608676046 520077320 /nfs/dbraw/zinc/07/73/20/520077320.db2.gz ZWRVEMXMIZTDGS-RTBURBONSA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000608676046 520077330 /nfs/dbraw/zinc/07/73/30/520077330.db2.gz ZWRVEMXMIZTDGS-RTBURBONSA-N 1 3 350.551 2.815 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000612813570 520162379 /nfs/dbraw/zinc/16/23/79/520162379.db2.gz GREVVQVWYXFLAZ-NHCUHLMSSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000612813570 520162386 /nfs/dbraw/zinc/16/23/86/520162386.db2.gz GREVVQVWYXFLAZ-NHCUHLMSSA-N 1 3 370.541 2.839 20 0 FFADHO CC(C)(C)OC(=O)C1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCOCC1 ZINC000592393614 520364976 /nfs/dbraw/zinc/36/49/76/520364976.db2.gz INTBDSZZXBRHAB-UHFFFAOYSA-N 1 3 354.535 2.977 20 0 FFADHO CC(C)(C)OC(=O)C1(CNC2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC000592393614 520364980 /nfs/dbraw/zinc/36/49/80/520364980.db2.gz INTBDSZZXBRHAB-UHFFFAOYSA-N 1 3 354.535 2.977 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)cc2)C1 ZINC000604169465 520467269 /nfs/dbraw/zinc/46/72/69/520467269.db2.gz XLDJWHRWXBHNCC-XLIONFOSSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)cc2)C1 ZINC000604169465 520467274 /nfs/dbraw/zinc/46/72/74/520467274.db2.gz XLDJWHRWXBHNCC-XLIONFOSSA-N 1 3 370.541 2.954 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000604195341 520481935 /nfs/dbraw/zinc/48/19/35/520481935.db2.gz MUDOQTCRPCEKTD-XAJVHEMHSA-N 1 3 368.525 2.718 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000604195341 520481943 /nfs/dbraw/zinc/48/19/43/520481943.db2.gz MUDOQTCRPCEKTD-XAJVHEMHSA-N 1 3 368.525 2.718 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604201636 520483352 /nfs/dbraw/zinc/48/33/52/520483352.db2.gz CRPDRTFERGCZLK-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc21 ZINC000604321978 520519453 /nfs/dbraw/zinc/51/94/53/520519453.db2.gz DUNIHGMVMIIZDV-WOJBJXKFSA-N 1 3 357.542 2.981 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc21 ZINC000604321978 520519459 /nfs/dbraw/zinc/51/94/59/520519459.db2.gz DUNIHGMVMIIZDV-WOJBJXKFSA-N 1 3 357.542 2.981 20 0 FFADHO CCn1cc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2ccccc21 ZINC000617504606 520537114 /nfs/dbraw/zinc/53/71/14/520537114.db2.gz BRTNZZOOFPEJFQ-KRWDZBQOSA-N 1 3 358.530 2.592 20 0 FFADHO CCn1cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2ccccc21 ZINC000617504606 520537119 /nfs/dbraw/zinc/53/71/19/520537119.db2.gz BRTNZZOOFPEJFQ-KRWDZBQOSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C(F)(F)F)CCCCC1 ZINC000617502716 520537739 /nfs/dbraw/zinc/53/77/39/520537739.db2.gz ZPPWLWNAWMHWMA-AWEZNQCLSA-N 1 3 351.457 2.887 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C(F)(F)F)CCCCC1 ZINC000617502716 520537746 /nfs/dbraw/zinc/53/77/46/520537746.db2.gz ZPPWLWNAWMHWMA-AWEZNQCLSA-N 1 3 351.457 2.887 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000617503294 520538637 /nfs/dbraw/zinc/53/86/37/520538637.db2.gz DAEYKODIMHRLIA-AWEZNQCLSA-N 1 3 359.436 2.636 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000617503294 520538647 /nfs/dbraw/zinc/53/86/47/520538647.db2.gz DAEYKODIMHRLIA-AWEZNQCLSA-N 1 3 359.436 2.636 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000617503484 520539007 /nfs/dbraw/zinc/53/90/07/520539007.db2.gz LHVZTAONUBJDOG-INIZCTEOSA-N 1 3 371.525 2.852 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000617503484 520539011 /nfs/dbraw/zinc/53/90/11/520539011.db2.gz LHVZTAONUBJDOG-INIZCTEOSA-N 1 3 371.525 2.852 20 0 FFADHO COC(=O)c1cc(C[NH2+]CC2(SC)CCN(C)CC2)n2c1CCCC2 ZINC000598644863 520758542 /nfs/dbraw/zinc/75/85/42/520758542.db2.gz SRNPFRFDKCAEQG-UHFFFAOYSA-N 1 3 365.543 2.528 20 0 FFADHO COC(=O)c1cc(CNCC2(SC)CC[NH+](C)CC2)n2c1CCCC2 ZINC000598644863 520758545 /nfs/dbraw/zinc/75/85/45/520758545.db2.gz SRNPFRFDKCAEQG-UHFFFAOYSA-N 1 3 365.543 2.528 20 0 FFADHO CSC1(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)CC[NH+](C)CC1 ZINC000599065287 521011416 /nfs/dbraw/zinc/01/14/16/521011416.db2.gz KAUZQTXANJLDLC-KRWDZBQOSA-N 1 3 368.591 2.520 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)CC1 ZINC000618350591 521015702 /nfs/dbraw/zinc/01/57/02/521015702.db2.gz CTVIQZFNBXMJTA-OAQYLSRUSA-N 1 3 357.542 2.882 20 0 FFADHO CCS[C@H]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596454006 521079457 /nfs/dbraw/zinc/07/94/57/521079457.db2.gz ADVHFKKCMVHOEF-ULQDDVLXSA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@H]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596454006 521079466 /nfs/dbraw/zinc/07/94/66/521079466.db2.gz ADVHFKKCMVHOEF-ULQDDVLXSA-N 1 3 358.596 2.622 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCC[C@H]1C ZINC000606638610 521117562 /nfs/dbraw/zinc/11/75/62/521117562.db2.gz RIRAPPDDAQTDNX-QRVBRYPASA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606643124 521119355 /nfs/dbraw/zinc/11/93/55/521119355.db2.gz PUAUHKUJWOTJCC-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000599298021 521135679 /nfs/dbraw/zinc/13/56/79/521135679.db2.gz OKYNQUKSCOKEMC-MPQSDHOMSA-N 1 3 366.546 2.667 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000599298021 521135684 /nfs/dbraw/zinc/13/56/84/521135684.db2.gz OKYNQUKSCOKEMC-MPQSDHOMSA-N 1 3 366.546 2.667 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(C[N@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000599298021 521135694 /nfs/dbraw/zinc/13/56/94/521135694.db2.gz OKYNQUKSCOKEMC-MPQSDHOMSA-N 1 3 366.546 2.667 20 0 FFADHO C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)C1CC[NH+](C)CC1 ZINC000606699047 521141555 /nfs/dbraw/zinc/14/15/55/521141555.db2.gz CRXRHRBMOCBRBF-IBGZPJMESA-N 1 3 374.573 2.923 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000606704419 521143220 /nfs/dbraw/zinc/14/32/20/521143220.db2.gz ZUHGAROPNJPNJK-RLLQIKCJSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000606704419 521143228 /nfs/dbraw/zinc/14/32/28/521143228.db2.gz ZUHGAROPNJPNJK-RLLQIKCJSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC[NH+]1CCCC1 ZINC000607227532 521299616 /nfs/dbraw/zinc/29/96/16/521299616.db2.gz KHAWWUIJFUIJIX-IBGZPJMESA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000615300621 521360024 /nfs/dbraw/zinc/36/00/24/521360024.db2.gz FSQMSOJUYHXZJE-BPQIPLTHSA-N 1 3 365.468 2.695 20 0 FFADHO COc1ccc([C@@H](CCn2cncn2)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635011600 521867397 /nfs/dbraw/zinc/86/73/97/521867397.db2.gz NZDBKWWDJRFHGB-PKOBYXMFSA-N 1 3 357.502 2.786 20 0 FFADHO CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(CN(C)C)cc1 ZINC000626062180 521900886 /nfs/dbraw/zinc/90/08/86/521900886.db2.gz KIKNFRFHVNMJGJ-UHFFFAOYSA-N 1 3 374.573 2.559 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626076872 521913503 /nfs/dbraw/zinc/91/35/03/521913503.db2.gz YCKUDBVZTMPNPC-ZIPUMODLSA-N 1 3 367.537 2.744 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626076872 521913504 /nfs/dbraw/zinc/91/35/04/521913504.db2.gz YCKUDBVZTMPNPC-ZIPUMODLSA-N 1 3 367.537 2.744 20 0 FFADHO C[N@H+](CCCNC(=O)NC[C@@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000623388553 521984716 /nfs/dbraw/zinc/98/47/16/521984716.db2.gz NCMFDWKGKPZXFS-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCNC(=O)NC[C@@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000623388553 521984724 /nfs/dbraw/zinc/98/47/24/521984724.db2.gz NCMFDWKGKPZXFS-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO [NH3+]CCCOCCN[C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000629536756 522301515 /nfs/dbraw/zinc/30/15/15/522301515.db2.gz HXXMHORDCBBIEC-JKSUJKDBSA-N 1 3 357.292 2.624 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843770 522323919 /nfs/dbraw/zinc/32/39/19/522323919.db2.gz WHDMKRYOTANOPG-PKOBYXMFSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843770 522323931 /nfs/dbraw/zinc/32/39/31/522323931.db2.gz WHDMKRYOTANOPG-PKOBYXMFSA-N 1 3 370.541 2.681 20 0 FFADHO [NH3+]CCCOCCNCc1cc(Br)ccc1OC(F)F ZINC000629659752 522379870 /nfs/dbraw/zinc/37/98/70/522379870.db2.gz GISYDKIGBRPIBK-UHFFFAOYSA-N 1 3 353.207 2.506 20 0 FFADHO CN1CC[NH+](Cc2ccccc2-c2cccc([C@@H]3COCCN3)c2)CC1 ZINC000629735200 522427021 /nfs/dbraw/zinc/42/70/21/522427021.db2.gz MDEYTCUDKXURDY-QFIPXVFZSA-N 1 3 351.494 2.762 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000626984530 522572418 /nfs/dbraw/zinc/57/24/18/522572418.db2.gz HTFDGNSPMOCTPX-DLTWYDFYSA-N 1 3 350.532 2.571 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1Cc1ccccc1 ZINC000626995819 522579183 /nfs/dbraw/zinc/57/91/83/522579183.db2.gz ZSACDCMDKAZGRR-XODARUQUSA-N 1 3 370.541 2.681 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(COC)CCCCC3)CC2)CC1 ZINC000621022316 522584400 /nfs/dbraw/zinc/58/44/00/522584400.db2.gz BBQYEYKMHXKMST-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)C[C@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000630037969 522597211 /nfs/dbraw/zinc/59/72/11/522597211.db2.gz MJXSMNAHBHGQBX-GFRNBQLOSA-N 1 3 360.542 2.883 20 0 FFADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)C[C@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000630037969 522597218 /nfs/dbraw/zinc/59/72/18/522597218.db2.gz MJXSMNAHBHGQBX-GFRNBQLOSA-N 1 3 360.542 2.883 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCCC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000624394473 522659046 /nfs/dbraw/zinc/65/90/46/522659046.db2.gz GSFFOMLCOXZALJ-HXUWFJFHSA-N 1 3 362.562 2.815 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21 ZINC000621756768 523060422 /nfs/dbraw/zinc/06/04/22/523060422.db2.gz TYPNGMOJURWOSX-KSEOMHKRSA-N 1 3 371.525 2.842 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(CCN(C)C)c3)cc2)C1 ZINC000630761626 523112199 /nfs/dbraw/zinc/11/21/99/523112199.db2.gz HVFLGFSZJQQEDS-KRWDZBQOSA-N 1 3 369.513 2.929 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnn(CCN(C)C)c3)cc2)C1 ZINC000630761626 523112211 /nfs/dbraw/zinc/11/22/11/523112211.db2.gz HVFLGFSZJQQEDS-KRWDZBQOSA-N 1 3 369.513 2.929 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000622044423 523235135 /nfs/dbraw/zinc/23/51/35/523235135.db2.gz FLTJWFBBYCDASL-MOPGFXCFSA-N 1 3 353.466 2.577 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000622151559 523291545 /nfs/dbraw/zinc/29/15/45/523291545.db2.gz PHSIKGHNUWLQAB-HXUWFJFHSA-N 1 3 358.530 2.674 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000622151559 523291550 /nfs/dbraw/zinc/29/15/50/523291550.db2.gz PHSIKGHNUWLQAB-HXUWFJFHSA-N 1 3 358.530 2.674 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)C[C@](C)(O)C2CC2)[C@H]1c1cccs1 ZINC000634705423 523590281 /nfs/dbraw/zinc/59/02/81/523590281.db2.gz AMBZSOCUSPTUIW-JZGRTCEGSA-N 1 3 352.544 2.633 20 0 FFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)C[C@](C)(O)C2CC2)[C@H]1c1cccs1 ZINC000634705423 523590289 /nfs/dbraw/zinc/59/02/89/523590289.db2.gz AMBZSOCUSPTUIW-JZGRTCEGSA-N 1 3 352.544 2.633 20 0 FFADHO C[C@@](O)(C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000634704294 523591427 /nfs/dbraw/zinc/59/14/27/523591427.db2.gz JHSBELFNIWNOHU-GLHNNUHNSA-N 1 3 358.526 2.684 20 0 FFADHO C[C@@](O)(C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000634704294 523591434 /nfs/dbraw/zinc/59/14/34/523591434.db2.gz JHSBELFNIWNOHU-GLHNNUHNSA-N 1 3 358.526 2.684 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631618443 523720770 /nfs/dbraw/zinc/72/07/70/523720770.db2.gz UARUVTHYFSVRJD-ANULTFPQSA-N 1 3 356.510 2.691 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[NH2+]1 ZINC000625869284 523728630 /nfs/dbraw/zinc/72/86/30/523728630.db2.gz FTZCFFHPYPOXTP-AEFFLSMTSA-N 1 3 360.502 2.813 20 0 FFADHO COc1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1-c1nnn[n-]1 ZINC000821808546 606205495 /nfs/dbraw/zinc/20/54/95/606205495.db2.gz IDJFMQFLURJOFM-UHFFFAOYSA-N 1 3 372.517 2.723 20 0 FFADHO COc1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1-c1nn[n-]n1 ZINC000821808546 606205497 /nfs/dbraw/zinc/20/54/97/606205497.db2.gz IDJFMQFLURJOFM-UHFFFAOYSA-N 1 3 372.517 2.723 20 0 FFADHO c1cc2c(cc[nH+]c2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164982192 722101998 /nfs/dbraw/zinc/10/19/98/722101998.db2.gz MZMPTWFCROCIPR-XLIONFOSSA-N 1 3 363.465 2.685 20 0 FFADHO CN(C(=S)NC1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746398842 735480573 /nfs/dbraw/zinc/48/05/73/735480573.db2.gz VCIKFFPDNQQJON-LJQANCHMSA-N 1 3 360.571 2.552 20 0 FFADHO C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000145575324 728742576 /nfs/dbraw/zinc/74/25/76/728742576.db2.gz ZQNUTUGVMZKMHY-QGZVFWFLSA-N 1 3 360.571 2.599 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000164054786 728963738 /nfs/dbraw/zinc/96/37/38/728963738.db2.gz TUBSGNNFNZKBCN-FXUDXRNXSA-N 1 3 355.523 2.819 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000164054786 728963741 /nfs/dbraw/zinc/96/37/41/728963741.db2.gz TUBSGNNFNZKBCN-FXUDXRNXSA-N 1 3 355.523 2.819 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000779364685 738459303 /nfs/dbraw/zinc/45/93/03/738459303.db2.gz DTIHTBQZUIMNJL-IYBDPMFKSA-N 1 3 357.539 2.769 20 0 FFADHO CC(C)(O)C[NH+]1CCC(NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000638286517 730019312 /nfs/dbraw/zinc/01/93/12/730019312.db2.gz OYEBDOSUWPXGSH-QGZVFWFLSA-N 1 3 351.560 2.710 20 0 FFADHO CN(C)[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1Cl ZINC000638298937 730020029 /nfs/dbraw/zinc/02/00/29/730020029.db2.gz VOIVPRMXZWBEPO-GOSISDBHSA-N 1 3 353.938 2.768 20 0 FFADHO CN1CCC[C@@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)[C@H]1c1cccs1 ZINC000638671425 730038661 /nfs/dbraw/zinc/03/86/61/730038661.db2.gz PTFZEOGKOFEJJR-LPHOPBHVSA-N 1 3 365.587 2.956 20 0 FFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000641803799 730252974 /nfs/dbraw/zinc/25/29/74/730252974.db2.gz HRBLFAURJAXGGE-STQMWFEESA-N 1 3 358.255 2.632 20 0 FFADHO Brc1ccccc1CN1CCC(NCC[NH2+]C2CC2)CC1 ZINC000643506830 730292781 /nfs/dbraw/zinc/29/27/81/730292781.db2.gz JSWKHEGINADOQG-UHFFFAOYSA-N 1 3 352.320 2.755 20 0 FFADHO O=C(CC[NH2+]C1CCN(C[C@H]2CCOC2)CC1)Nc1ccc(Cl)cc1 ZINC000644570942 730483585 /nfs/dbraw/zinc/48/35/85/730483585.db2.gz XTYBWIUZJUGEIJ-OAHLLOKOSA-N 1 3 365.905 2.759 20 0 FFADHO CCCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCN(C)C1 ZINC000645350593 730546524 /nfs/dbraw/zinc/54/65/24/730546524.db2.gz HVNQVOUNKUALOH-LJQANCHMSA-N 1 3 352.567 2.870 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](N[C@H]3CCc4cc(F)c(F)c(F)c43)C2)CC1 ZINC000648450490 730809824 /nfs/dbraw/zinc/80/98/24/730809824.db2.gz OUYJNFZOGNJCBO-BBRMVZONSA-N 1 3 353.432 2.849 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000650707691 731021852 /nfs/dbraw/zinc/02/18/52/731021852.db2.gz KXSQYAOSAXFHFN-QGTPRVQTSA-N 1 3 350.890 2.993 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc(-c4ccccn4)s3)C2)C1 ZINC000650707551 731022028 /nfs/dbraw/zinc/02/20/28/731022028.db2.gz INYJGCUGLRJZOD-DAYGRLMNSA-N 1 3 358.511 2.923 20 0 FFADHO O=S(=O)(CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925495584 738510777 /nfs/dbraw/zinc/51/07/77/738510777.db2.gz ZEYBMFCQFQQCQC-OALUTQOASA-N 1 3 350.528 2.608 20 0 FFADHO CCN(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CCCCC1 ZINC000652360911 731187816 /nfs/dbraw/zinc/18/78/16/731187816.db2.gz TVPZHJZKGAXLEP-UHOSZYNNSA-N 1 3 351.535 2.528 20 0 FFADHO C[C@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000653594285 731276765 /nfs/dbraw/zinc/27/67/65/731276765.db2.gz JJDAJXQYYIMFIW-JXFKEZNVSA-N 1 3 351.485 2.855 20 0 FFADHO C[C@H]1C[N@@H+](CCCc2c(F)cccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000653594285 731276768 /nfs/dbraw/zinc/27/67/68/731276768.db2.gz JJDAJXQYYIMFIW-JXFKEZNVSA-N 1 3 351.485 2.855 20 0 FFADHO C[C@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000925732323 738525102 /nfs/dbraw/zinc/52/51/02/738525102.db2.gz DVHKRELDNVMCCN-ZSGPHXLJSA-N 1 3 350.528 2.560 20 0 FFADHO C[C@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000925732323 738525104 /nfs/dbraw/zinc/52/51/04/738525104.db2.gz DVHKRELDNVMCCN-ZSGPHXLJSA-N 1 3 350.528 2.560 20 0 FFADHO O=C(CCC12CC(C1)C[NH2+]2)Nc1ccc(CCN2CCSCC2)cc1 ZINC000870875698 731569035 /nfs/dbraw/zinc/56/90/35/731569035.db2.gz HRKIHAGVYUZUDY-UHFFFAOYSA-N 1 3 359.539 2.749 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000925833437 738534669 /nfs/dbraw/zinc/53/46/69/738534669.db2.gz IYGZBZXUAGNPHJ-FUHWJXTLSA-N 1 3 352.544 2.923 20 0 FFADHO C[C@H]1C[C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccsc2S1 ZINC000925856028 738537812 /nfs/dbraw/zinc/53/78/12/738537812.db2.gz WCMFFUXPVFOITR-SGMGOOAPSA-N 1 3 352.525 2.948 20 0 FFADHO CCc1cc(N2CCC([NH2+]Cc3cc4c(s3)CCNC4)CC2)ncn1 ZINC000873211363 731891331 /nfs/dbraw/zinc/89/13/31/731891331.db2.gz MFEBJISOYVXKHH-UHFFFAOYSA-N 1 3 357.527 2.505 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(F)c1OC(F)F ZINC000660139103 732070899 /nfs/dbraw/zinc/07/08/99/732070899.db2.gz JKAOZSOKIIQQSZ-UHFFFAOYSA-N 1 3 359.436 2.885 20 0 FFADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cccc2c1CNC2 ZINC000662458214 732318545 /nfs/dbraw/zinc/31/85/45/732318545.db2.gz YXSNQMOYTFNUAE-UHFFFAOYSA-N 1 3 359.539 2.771 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000877747729 732422835 /nfs/dbraw/zinc/42/28/35/732422835.db2.gz ZTACVWKSUIPSLI-UHFFFAOYSA-N 1 3 357.420 2.797 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878426628 732530419 /nfs/dbraw/zinc/53/04/19/732530419.db2.gz BILKZKDTWBCOOT-SFHVURJKSA-N 1 3 351.579 2.930 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc(F)c1F ZINC000664559307 732599838 /nfs/dbraw/zinc/59/98/38/732599838.db2.gz KEUQFDLIHDMLTQ-UONOGXRCSA-N 1 3 356.461 2.597 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc(F)c1F ZINC000664559307 732599842 /nfs/dbraw/zinc/59/98/42/732599842.db2.gz KEUQFDLIHDMLTQ-UONOGXRCSA-N 1 3 356.461 2.597 20 0 FFADHO C[NH+]1CCC2(CCN(C[C@@H](O)c3ccccc3Br)C2)CC1 ZINC000878865975 732606073 /nfs/dbraw/zinc/60/60/73/732606073.db2.gz GUZJAGWXZIAQRM-MRXNPFEDSA-N 1 3 353.304 2.900 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Cl)cc1F ZINC000664713555 732623969 /nfs/dbraw/zinc/62/39/69/732623969.db2.gz JPHPUAPRQBCDNN-ZDUSSCGKSA-N 1 3 358.889 2.550 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Cl)cc1F ZINC000664713555 732623972 /nfs/dbraw/zinc/62/39/72/732623972.db2.gz JPHPUAPRQBCDNN-ZDUSSCGKSA-N 1 3 358.889 2.550 20 0 FFADHO COCCN(Cc1cc(C(=O)OC)sc1C)CC1CC[NH+](C)CC1 ZINC000879125120 732651034 /nfs/dbraw/zinc/65/10/34/732651034.db2.gz PUHBCIZGGMEBMX-UHFFFAOYSA-N 1 3 354.516 2.633 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000664970064 732654150 /nfs/dbraw/zinc/65/41/50/732654150.db2.gz KIRXJWPPXIGIBI-SJLPKXTDSA-N 1 3 364.559 2.747 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000664970064 732654151 /nfs/dbraw/zinc/65/41/51/732654151.db2.gz KIRXJWPPXIGIBI-SJLPKXTDSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000665637680 732734266 /nfs/dbraw/zinc/73/42/66/732734266.db2.gz LANVLYCYODYMFV-HOTGVXAUSA-N 1 3 352.498 2.800 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000665637680 732734269 /nfs/dbraw/zinc/73/42/69/732734269.db2.gz LANVLYCYODYMFV-HOTGVXAUSA-N 1 3 352.498 2.800 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000665759283 732752350 /nfs/dbraw/zinc/75/23/50/732752350.db2.gz BTVQOJLFDANWAV-HOTGVXAUSA-N 1 3 350.507 2.787 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000665759283 732752355 /nfs/dbraw/zinc/75/23/55/732752355.db2.gz BTVQOJLFDANWAV-HOTGVXAUSA-N 1 3 350.507 2.787 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CC1 ZINC000880577785 732925297 /nfs/dbraw/zinc/92/52/97/732925297.db2.gz KULNERSNDOKNJA-OAQYLSRUSA-N 1 3 351.579 2.931 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H](C3CCOCC3)C2)CC1 ZINC000880577785 732925300 /nfs/dbraw/zinc/92/53/00/732925300.db2.gz KULNERSNDOKNJA-OAQYLSRUSA-N 1 3 351.579 2.931 20 0 FFADHO COCc1cc(Cl)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667277682 732976433 /nfs/dbraw/zinc/97/64/33/732976433.db2.gz PPECLBJVTGABCJ-AWEZNQCLSA-N 1 3 370.925 2.880 20 0 FFADHO COCc1cc(Cl)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667277682 732976440 /nfs/dbraw/zinc/97/64/40/732976440.db2.gz PPECLBJVTGABCJ-AWEZNQCLSA-N 1 3 370.925 2.880 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000668644689 733149119 /nfs/dbraw/zinc/14/91/19/733149119.db2.gz HYRMCDWPHVPXCG-IAGOWNOFSA-N 1 3 364.559 2.962 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]CC[C@H]2CCCS2(=O)=O)CC1 ZINC000883308142 733366003 /nfs/dbraw/zinc/36/60/03/733366003.db2.gz IVJCCROZLGUVDM-SOAGJPPSSA-N 1 3 364.555 2.987 20 0 FFADHO C[C@H](NC[C@H](O)C(F)(F)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000883359233 733372758 /nfs/dbraw/zinc/37/27/58/733372758.db2.gz BEOKVIVHDNPDOM-FZMZJTMJSA-N 1 3 370.362 2.836 20 0 FFADHO FC(F)(F)OCCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000883436555 733385062 /nfs/dbraw/zinc/38/50/62/733385062.db2.gz VYLPKAVCWKLTAZ-UHFFFAOYSA-N 1 3 360.424 2.983 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000672943028 733572448 /nfs/dbraw/zinc/57/24/48/733572448.db2.gz QYRQQCCPSKJTLV-ROUUACIJSA-N 1 3 350.482 2.602 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000727090154 734465234 /nfs/dbraw/zinc/46/52/34/734465234.db2.gz YFWVYQSVDDHZIF-KRWDZBQOSA-N 1 3 362.587 2.845 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000727090154 734465238 /nfs/dbraw/zinc/46/52/38/734465238.db2.gz YFWVYQSVDDHZIF-KRWDZBQOSA-N 1 3 362.587 2.845 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)N(C)C)cc1 ZINC000891922435 734495154 /nfs/dbraw/zinc/49/51/54/734495154.db2.gz NWOJQDIQHKNCID-KSZLIROESA-N 1 3 362.543 2.547 20 0 FFADHO O[C@H](CN1CCCC1)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000731532270 734683652 /nfs/dbraw/zinc/68/36/52/734683652.db2.gz NHWXGKYYARQANG-MOPGFXCFSA-N 1 3 352.906 2.542 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1(F)F ZINC000894317015 734836342 /nfs/dbraw/zinc/83/63/42/734836342.db2.gz PZYKCGOOCDCGTA-HJWJTTGWSA-N 1 3 352.425 2.541 20 0 FFADHO COC(=O)[C@@H]1[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1(F)F ZINC000894317015 734836344 /nfs/dbraw/zinc/83/63/44/734836344.db2.gz PZYKCGOOCDCGTA-HJWJTTGWSA-N 1 3 352.425 2.541 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(C2CCC(C)CC2)CC1 ZINC000734381691 734893244 /nfs/dbraw/zinc/89/32/44/734893244.db2.gz VIMBBUQDPUDDIS-ABHNRTSZSA-N 1 3 352.592 2.542 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(C2CCC(C)CC2)CC1 ZINC000734381691 734893249 /nfs/dbraw/zinc/89/32/49/734893249.db2.gz VIMBBUQDPUDDIS-ABHNRTSZSA-N 1 3 352.592 2.542 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=S)NC2CCN(C)CC2)CC1 ZINC000734762428 734913586 /nfs/dbraw/zinc/91/35/86/734913586.db2.gz GJCLOEQIHTYORW-INIZCTEOSA-N 1 3 360.571 2.770 20 0 FFADHO CCCN(C(=S)NCC[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000751024577 735838857 /nfs/dbraw/zinc/83/88/57/735838857.db2.gz RSCNALNOBDGBLS-IBGZPJMESA-N 1 3 362.587 2.799 20 0 FFADHO CN(c1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1)S(C)(=O)=O ZINC000902515824 735954202 /nfs/dbraw/zinc/95/42/02/735954202.db2.gz YGSZFATVLYQHPY-IBGZPJMESA-N 1 3 361.511 2.652 20 0 FFADHO CO[C@H](c1ccccc1Cl)[C@H](C)NC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909740 736187170 /nfs/dbraw/zinc/18/71/70/736187170.db2.gz YFLWWBXVDLPEIC-OHNRDTAOSA-N 1 3 364.921 2.865 20 0 FFADHO CC(C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000903948986 736193513 /nfs/dbraw/zinc/19/35/13/736193513.db2.gz XIZWSKPGLZRIMI-CYBMUJFWSA-N 1 3 357.420 2.727 20 0 FFADHO COc1ccc(C[C@@H](C)CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903974017 736197694 /nfs/dbraw/zinc/19/76/94/736197694.db2.gz SGVBSBKSGLQMEV-WBVHZDCISA-N 1 3 350.478 2.761 20 0 FFADHO C[C@@H](NC1CCN(CC[NH3+])CC1)c1cc(F)c(Br)cc1F ZINC000904379688 736247283 /nfs/dbraw/zinc/24/72/83/736247283.db2.gz BWKHFVNQVDQBGE-SNVBAGLBSA-N 1 3 362.262 2.801 20 0 FFADHO CC[C@@](O)(CNCc1ccc(OC2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000905257710 736319136 /nfs/dbraw/zinc/31/91/36/736319136.db2.gz VTEOPHMXKCBXBX-QGZVFWFLSA-N 1 3 360.420 2.953 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ncc1F ZINC000762747483 736863977 /nfs/dbraw/zinc/86/39/77/736863977.db2.gz MTGKXCDTJAOALV-CHWSQXEVSA-N 1 3 374.298 2.871 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ncc1F ZINC000762747483 736863981 /nfs/dbraw/zinc/86/39/81/736863981.db2.gz MTGKXCDTJAOALV-CHWSQXEVSA-N 1 3 374.298 2.871 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)ccc3OC)C2)[C@H]1C(C)C ZINC000922395697 738137578 /nfs/dbraw/zinc/13/75/78/738137578.db2.gz YQJHUKPKWBXWQM-HNBVOPMISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)ccc3OC)C2)[C@H]1C(C)C ZINC000922395697 738137580 /nfs/dbraw/zinc/13/75/80/738137580.db2.gz YQJHUKPKWBXWQM-HNBVOPMISA-N 1 3 350.478 2.794 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)ccc1OC ZINC000788626468 739265241 /nfs/dbraw/zinc/26/52/41/739265241.db2.gz SQEVIGYEGMELGU-FTRWYGJKSA-N 1 3 350.503 2.728 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)ccc1OC ZINC000788626472 739265274 /nfs/dbraw/zinc/26/52/74/739265274.db2.gz SQEVIGYEGMELGU-RZQQEMMASA-N 1 3 350.503 2.728 20 0 FFADHO COc1c(C)cc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000796761413 740180889 /nfs/dbraw/zinc/18/08/89/740180889.db2.gz FCXNHJFWGGYAMX-CABCVRRESA-N 1 3 367.921 2.895 20 0 FFADHO CC[NH+](CC)CCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000800147287 740491994 /nfs/dbraw/zinc/49/19/94/740491994.db2.gz QIQOPPMGMVHMKW-AWEZNQCLSA-N 1 3 354.397 2.593 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC000999188621 742054299 /nfs/dbraw/zinc/05/42/99/742054299.db2.gz BYCZLQOWUDPPOA-HZSPNIEDSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3sccc3Cl)C2)CC[N@H+]1C ZINC000999188621 742054303 /nfs/dbraw/zinc/05/43/03/742054303.db2.gz BYCZLQOWUDPPOA-HZSPNIEDSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)c2ccc(Br)cc2)CCCO1 ZINC000819265220 742364436 /nfs/dbraw/zinc/36/44/36/742364436.db2.gz MZRHMPCUPNJXSC-PBHICJAKSA-N 1 3 371.319 2.573 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)c2ccc(Br)cc2)CCCO1 ZINC000819265220 742364441 /nfs/dbraw/zinc/36/44/41/742364441.db2.gz MZRHMPCUPNJXSC-PBHICJAKSA-N 1 3 371.319 2.573 20 0 FFADHO O=S(=O)(CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1 ZINC000820807485 742554570 /nfs/dbraw/zinc/55/45/70/742554570.db2.gz JFOHRRCLXIZWPV-CTXDPNEZSA-N 1 3 362.539 2.739 20 0 FFADHO O=S(=O)(CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1 ZINC000820807485 742554572 /nfs/dbraw/zinc/55/45/72/742554572.db2.gz JFOHRRCLXIZWPV-CTXDPNEZSA-N 1 3 362.539 2.739 20 0 FFADHO COc1cc(Cl)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000822751840 742779411 /nfs/dbraw/zinc/77/94/11/742779411.db2.gz VSBPEVNHLVNANC-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO COc1cc(Cl)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000822751840 742779416 /nfs/dbraw/zinc/77/94/16/742779416.db2.gz VSBPEVNHLVNANC-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO Cc1cccc(Cl)c1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549693 742793040 /nfs/dbraw/zinc/79/30/40/742793040.db2.gz VEIQEKBEEBHUDB-IXDOHACOSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cccc(Cl)c1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549693 742793041 /nfs/dbraw/zinc/79/30/41/742793041.db2.gz VEIQEKBEEBHUDB-IXDOHACOSA-N 1 3 363.933 2.927 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)NCc3nccs3)CC2)CC[N@@H+]1C ZINC001029101795 742805550 /nfs/dbraw/zinc/80/55/50/742805550.db2.gz NBCQYCURGSGCRM-HYVNUMGLSA-N 1 3 364.559 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)NCc3nccs3)CC2)CC[N@H+]1C ZINC001029101795 742805557 /nfs/dbraw/zinc/80/55/57/742805557.db2.gz NBCQYCURGSGCRM-HYVNUMGLSA-N 1 3 364.559 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(C/C=C/Cl)C3)C2)CC[N@@H+]1C ZINC001054135882 745003215 /nfs/dbraw/zinc/00/32/15/745003215.db2.gz LFPCAGLLZVPOIH-NOBNYHECSA-N 1 3 353.938 2.784 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(C/C=C/Cl)C3)C2)CC[N@H+]1C ZINC001054135882 745003221 /nfs/dbraw/zinc/00/32/21/745003221.db2.gz LFPCAGLLZVPOIH-NOBNYHECSA-N 1 3 353.938 2.784 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc(Cl)n1 ZINC000828949863 745144517 /nfs/dbraw/zinc/14/45/17/745144517.db2.gz QLAYPCIRTLEEED-OFQRWUPVSA-N 1 3 352.910 2.812 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000830541623 745377724 /nfs/dbraw/zinc/37/77/24/745377724.db2.gz PYLGHLGYLDFDNB-INIZCTEOSA-N 1 3 352.910 2.672 20 0 FFADHO CCCC[C@H](C)N(CCCC)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000840090273 746997776 /nfs/dbraw/zinc/99/77/76/746997776.db2.gz DLBHFQQJFXNBPS-INIZCTEOSA-N 1 3 352.523 2.641 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCCc3cc(C[NH3+])ccc32)cc(Cl)n1 ZINC000841848939 747475580 /nfs/dbraw/zinc/47/55/80/747475580.db2.gz VPZDNNWCHQEUFV-MRXNPFEDSA-N 1 3 358.873 2.871 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000849113671 749055848 /nfs/dbraw/zinc/05/58/48/749055848.db2.gz ZLNVTCUXAHRYOE-AEFFLSMTSA-N 1 3 363.575 2.609 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](COC)c1ccc(Cl)cc1 ZINC000849114646 749056382 /nfs/dbraw/zinc/05/63/82/749056382.db2.gz PICQFWJFTMRXHT-RDJZCZTQSA-N 1 3 352.910 2.668 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000852899292 749970885 /nfs/dbraw/zinc/97/08/85/749970885.db2.gz GRAASTAPNJRXOY-OAGGEKHMSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000852899292 749970890 /nfs/dbraw/zinc/97/08/90/749970890.db2.gz GRAASTAPNJRXOY-OAGGEKHMSA-N 1 3 350.894 2.566 20 0 FFADHO CCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCN(C)C1 ZINC000853543578 750088548 /nfs/dbraw/zinc/08/85/48/750088548.db2.gz CUZCCKYGNQJUQH-IBGZPJMESA-N 1 3 350.551 2.767 20 0 FFADHO Cn1ncc2cc(C[N@@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cnc21 ZINC000895793513 970956407 /nfs/dbraw/zinc/95/64/07/970956407.db2.gz YKRKIBACSFYNOJ-PZJWPPBQSA-N 1 3 361.493 2.922 20 0 FFADHO Cn1ncc2cc(C[N@H+]3C[C@@H]4CCN(Cc5ccccc5)C[C@@H]4C3)cnc21 ZINC000895793513 970956413 /nfs/dbraw/zinc/95/64/13/970956413.db2.gz YKRKIBACSFYNOJ-PZJWPPBQSA-N 1 3 361.493 2.922 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4ccncc43)CC2)CC1 ZINC000648756600 1013053517 /nfs/dbraw/zinc/05/35/17/1013053517.db2.gz FDLYSQJIWVMEBT-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001087908994 971070106 /nfs/dbraw/zinc/07/01/06/971070106.db2.gz UZWHPEYNEHQFQA-KAQMPFRHSA-N 1 3 353.510 2.574 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001087908994 971070116 /nfs/dbraw/zinc/07/01/16/971070116.db2.gz UZWHPEYNEHQFQA-KAQMPFRHSA-N 1 3 353.510 2.574 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001104938626 971189264 /nfs/dbraw/zinc/18/92/64/971189264.db2.gz YHGYBDHZJJLADD-ZIAGYGMSSA-N 1 3 350.334 2.721 20 0 FFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c(C)n1 ZINC001105064278 971437429 /nfs/dbraw/zinc/43/74/29/971437429.db2.gz HDGXZDOIHSOZHO-OXQOHEQNSA-N 1 3 360.546 2.613 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001105067240 971444763 /nfs/dbraw/zinc/44/47/63/971444763.db2.gz SYLGYZJEOCGILF-KBAYOESNSA-N 1 3 371.516 2.980 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC2CCC2)C1 ZINC001105067163 971445506 /nfs/dbraw/zinc/44/55/06/971445506.db2.gz PRIUTUFALNXKHI-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001105066937 971447041 /nfs/dbraw/zinc/44/70/41/971447041.db2.gz GZEFNQRZRDISCM-NUJGCVRESA-N 1 3 364.559 2.592 20 0 FFADHO [NH3+]CCC[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccccc1 ZINC000925643645 971612709 /nfs/dbraw/zinc/61/27/09/971612709.db2.gz XQGKCRWPLAIPMI-GOSISDBHSA-N 1 3 351.454 2.954 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)CC[C@@H]3C2)CCC1 ZINC001087992302 971736168 /nfs/dbraw/zinc/73/61/68/971736168.db2.gz OGSSNAPPYRSGHJ-MSOLQXFVSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(F)c4)CC[C@@H]3C2)CCC1 ZINC001087992302 971736173 /nfs/dbraw/zinc/73/61/73/971736173.db2.gz OGSSNAPPYRSGHJ-MSOLQXFVSA-N 1 3 359.489 2.590 20 0 FFADHO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087993303 971737327 /nfs/dbraw/zinc/73/73/27/971737327.db2.gz JVGBEBDGZMTHMU-BHIFYINESA-N 1 3 369.553 2.870 20 0 FFADHO CCc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087993303 971737331 /nfs/dbraw/zinc/73/73/31/971737331.db2.gz JVGBEBDGZMTHMU-BHIFYINESA-N 1 3 369.553 2.870 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995161 971745801 /nfs/dbraw/zinc/74/58/01/971745801.db2.gz WHUKYFFOEVKARW-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087995161 971745804 /nfs/dbraw/zinc/74/58/04/971745804.db2.gz WHUKYFFOEVKARW-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000660420721 971843732 /nfs/dbraw/zinc/84/37/32/971843732.db2.gz UNFIOJYBPBAJSB-OALUTQOASA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000660420721 971843736 /nfs/dbraw/zinc/84/37/36/971843736.db2.gz UNFIOJYBPBAJSB-OALUTQOASA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(CF)cc3)CC2(C)C)CC[N@@H+]1C ZINC000974606706 972053715 /nfs/dbraw/zinc/05/37/15/972053715.db2.gz SRDRZMWACCKANX-ATZDWAIDSA-N 1 3 361.505 2.823 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(CF)cc3)CC2(C)C)CC[N@H+]1C ZINC000974606706 972053719 /nfs/dbraw/zinc/05/37/19/972053719.db2.gz SRDRZMWACCKANX-ATZDWAIDSA-N 1 3 361.505 2.823 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)Cc1ccco1 ZINC000654735352 958873899 /nfs/dbraw/zinc/87/38/99/958873899.db2.gz RYYYDUCATKEVHA-MOPGFXCFSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)Cc1ccco1 ZINC000654735352 958873911 /nfs/dbraw/zinc/87/39/11/958873911.db2.gz RYYYDUCATKEVHA-MOPGFXCFSA-N 1 3 362.518 2.760 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)C1C[NH+](C2CCCCC2)C1 ZINC000655036180 959324713 /nfs/dbraw/zinc/32/47/13/959324713.db2.gz CGFPNMXZUWBDCT-UHFFFAOYSA-N 1 3 371.525 2.846 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C[C@@H]21 ZINC000655550399 960175824 /nfs/dbraw/zinc/17/58/24/960175824.db2.gz LOTLIBKFPUGVRD-AQNXPRMDSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C[C@@H]21 ZINC000655550399 960175829 /nfs/dbraw/zinc/17/58/29/960175829.db2.gz LOTLIBKFPUGVRD-AQNXPRMDSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1CCNC/C(Cl)=C\Cl ZINC001104291774 962342509 /nfs/dbraw/zinc/34/25/09/962342509.db2.gz VCHQLHAHGBWPOI-TZTQVMCRSA-N 1 3 362.345 2.720 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(C)c2)CC[N@@H+]1C ZINC001095439792 1013379218 /nfs/dbraw/zinc/37/92/18/1013379218.db2.gz FALVVGIGFGUEEG-IFLJBQAJSA-N 1 3 355.526 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(C)c2)CC[N@H+]1C ZINC001095439792 1013379227 /nfs/dbraw/zinc/37/92/27/1013379227.db2.gz FALVVGIGFGUEEG-IFLJBQAJSA-N 1 3 355.526 2.947 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCN2C)cc1F ZINC001087134725 963075885 /nfs/dbraw/zinc/07/58/85/963075885.db2.gz CZOHPCLRQZOQEA-MOXGXCLJSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@H](CNC(=O)N1CCC([NH3+])(CC)CC1)N1CCc2ccccc2C1 ZINC000891348099 963361766 /nfs/dbraw/zinc/36/17/66/963361766.db2.gz OGEXTGKEURKSEU-LJQANCHMSA-N 1 3 358.530 2.736 20 0 FFADHO CC(C)[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)C(=O)N1CCCC1 ZINC000089723607 963521378 /nfs/dbraw/zinc/52/13/78/963521378.db2.gz XBHCLQCSUQBUCF-XLIONFOSSA-N 1 3 361.530 2.925 20 0 FFADHO O=C(c1ccccc1F)N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873213335 1013429538 /nfs/dbraw/zinc/42/95/38/1013429538.db2.gz VVBCWCZIPHLCDH-UHFFFAOYSA-N 1 3 373.497 2.927 20 0 FFADHO CC(C)Oc1cccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873218568 1013432855 /nfs/dbraw/zinc/43/28/55/1013432855.db2.gz KDFYEDBOEOSPAP-UHFFFAOYSA-N 1 3 351.454 2.803 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(OC)c2)C1)N(C)C ZINC001104348674 963740088 /nfs/dbraw/zinc/74/00/88/963740088.db2.gz PDZOVVOACSTXDL-YVWKXTFCSA-N 1 3 361.530 2.610 20 0 FFADHO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873243887 1013444215 /nfs/dbraw/zinc/44/42/15/1013444215.db2.gz OCKOXBCKWIHNTR-AWEZNQCLSA-N 1 3 364.453 2.535 20 0 FFADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246809 1013445755 /nfs/dbraw/zinc/44/57/55/1013445755.db2.gz BRIYHMJAKWVUTN-OAQYLSRUSA-N 1 3 363.465 2.902 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3cc4ccccc4o3)C2)CC[N@@H+]1C ZINC000971561004 964176510 /nfs/dbraw/zinc/17/65/10/964176510.db2.gz QDFOWWYOBARCDA-SZVBFZGTSA-N 1 3 355.482 2.806 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3cc4ccccc4o3)C2)CC[N@H+]1C ZINC000971561004 964176520 /nfs/dbraw/zinc/17/65/20/964176520.db2.gz QDFOWWYOBARCDA-SZVBFZGTSA-N 1 3 355.482 2.806 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC000647938155 964283093 /nfs/dbraw/zinc/28/30/93/964283093.db2.gz HINGFOQMHXPZBT-MJGOQNOKSA-N 1 3 369.513 2.877 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000664407697 964283173 /nfs/dbraw/zinc/28/31/73/964283173.db2.gz JZWOUTYQSWDFAM-FOIQADDNSA-N 1 3 365.481 2.529 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000664407697 964283182 /nfs/dbraw/zinc/28/31/82/964283182.db2.gz JZWOUTYQSWDFAM-FOIQADDNSA-N 1 3 365.481 2.529 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544637 964458828 /nfs/dbraw/zinc/45/88/28/964458828.db2.gz ZFSLOVNOVUTTGF-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO O=C(c1cccnc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167972800 965447632 /nfs/dbraw/zinc/44/76/32/965447632.db2.gz BRJARKOVVPKHOC-SEJPIABJSA-N 1 3 368.525 2.681 20 0 FFADHO COC(=O)c1[nH]c2ccccc2c1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000894567164 965488020 /nfs/dbraw/zinc/48/80/20/965488020.db2.gz SMAYTBJCMZWHMC-OAHLLOKOSA-N 1 3 359.470 2.545 20 0 FFADHO CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167987866 966043522 /nfs/dbraw/zinc/04/35/22/966043522.db2.gz NKYUAFCXWXGMMQ-CSVWITEBSA-N 1 3 361.530 2.991 20 0 FFADHO CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167987866 966043532 /nfs/dbraw/zinc/04/35/32/966043532.db2.gz NKYUAFCXWXGMMQ-CSVWITEBSA-N 1 3 361.530 2.991 20 0 FFADHO Cc1ccncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC[C@@H]1C ZINC001087212474 966577685 /nfs/dbraw/zinc/57/76/85/966577685.db2.gz CXJBZJGLQSYYIF-KPFFTGBYSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC001087212751 966579850 /nfs/dbraw/zinc/57/98/50/966579850.db2.gz OOYPVTPSBIPYDU-HLIPFELVSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1ncccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC[C@@H]1C ZINC001087212861 966582435 /nfs/dbraw/zinc/58/24/35/966582435.db2.gz TUIIWACBEAKJEF-UWVAXJGDSA-N 1 3 358.530 2.591 20 0 FFADHO CC(C)C(=O)N1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@@H]21 ZINC001167993699 967151580 /nfs/dbraw/zinc/15/15/80/967151580.db2.gz PDCKLUJNOWFSLD-JKMPKNINSA-N 1 3 359.558 2.971 20 0 FFADHO CC(C)C(=O)N1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@@H]21 ZINC001167993699 967151587 /nfs/dbraw/zinc/15/15/87/967151587.db2.gz PDCKLUJNOWFSLD-JKMPKNINSA-N 1 3 359.558 2.971 20 0 FFADHO Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[C@H]2CC[N@H+](C)C2)s1 ZINC001087236056 967457699 /nfs/dbraw/zinc/45/76/99/967457699.db2.gz FZJCXAZMWIQYTE-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[C@H]2CC[N@@H+](C)C2)s1 ZINC001087236056 967457705 /nfs/dbraw/zinc/45/77/05/967457705.db2.gz FZJCXAZMWIQYTE-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNCc2ccccc2F)C1 ZINC001087236308 967473565 /nfs/dbraw/zinc/47/35/65/967473565.db2.gz QLHUUSWRRLYECF-LMMKCTJWSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](CNCc2ccccc2F)C1 ZINC001087236308 967473574 /nfs/dbraw/zinc/47/35/74/967473574.db2.gz QLHUUSWRRLYECF-LMMKCTJWSA-N 1 3 361.505 2.884 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000650724128 967606057 /nfs/dbraw/zinc/60/60/57/967606057.db2.gz YOFPLDWWDCUBPG-HOJAQTOUSA-N 1 3 358.461 2.872 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3C3CC3)cc2)CC1 ZINC000728571865 967631534 /nfs/dbraw/zinc/63/15/34/967631534.db2.gz OVTCBAHSEFALEI-HXUWFJFHSA-N 1 3 356.514 2.641 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3C3CC3)cc2)CC1 ZINC000728571865 967631540 /nfs/dbraw/zinc/63/15/40/967631540.db2.gz OVTCBAHSEFALEI-HXUWFJFHSA-N 1 3 356.514 2.641 20 0 FFADHO Cc1ccccc1[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159878 967640535 /nfs/dbraw/zinc/64/05/35/967640535.db2.gz FPGGNIPRVUFHAM-DJIMGWMZSA-N 1 3 371.447 2.987 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNCc2cc(F)cc(F)c2)C1 ZINC001087245727 968005657 /nfs/dbraw/zinc/00/56/57/968005657.db2.gz HTYXHAFMRWADLH-OGWOLHLISA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNCc2cc(F)cc(F)c2)C1 ZINC001087245727 968005665 /nfs/dbraw/zinc/00/56/65/968005665.db2.gz HTYXHAFMRWADLH-OGWOLHLISA-N 1 3 365.468 2.633 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001211615990 968027184 /nfs/dbraw/zinc/02/71/84/968027184.db2.gz PUWYBZGECZDBSB-BDWBDONCSA-N 1 3 361.917 2.807 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001023993491 968404020 /nfs/dbraw/zinc/40/40/20/968404020.db2.gz GSGIVWKGZQYUGG-OWCLPIDISA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001023993491 968404028 /nfs/dbraw/zinc/40/40/28/968404028.db2.gz GSGIVWKGZQYUGG-OWCLPIDISA-N 1 3 365.468 2.633 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167630 968976588 /nfs/dbraw/zinc/97/65/88/968976588.db2.gz WBVPCHZVFQXFPB-RBSFLKMASA-N 1 3 365.484 2.989 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658957568 969570262 /nfs/dbraw/zinc/57/02/62/969570262.db2.gz NFLICYRILYAHHF-RTWAWAEBSA-N 1 3 355.526 2.889 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C[C@@H]1C ZINC000659034192 969651989 /nfs/dbraw/zinc/65/19/89/969651989.db2.gz ARIHYKIWGYUWQM-ZYSHUDEJSA-N 1 3 360.502 2.684 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C[C@@H]1C ZINC000659034192 969651993 /nfs/dbraw/zinc/65/19/93/969651993.db2.gz ARIHYKIWGYUWQM-ZYSHUDEJSA-N 1 3 360.502 2.684 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659035574 969653102 /nfs/dbraw/zinc/65/31/02/969653102.db2.gz YFSVKOQEPBVBOI-FCEWJHQRSA-N 1 3 360.502 2.732 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659035574 969653106 /nfs/dbraw/zinc/65/31/06/969653106.db2.gz YFSVKOQEPBVBOI-FCEWJHQRSA-N 1 3 360.502 2.732 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C2)CC1 ZINC000659037518 969655951 /nfs/dbraw/zinc/65/59/51/969655951.db2.gz ICGQORRRYCKSHT-QUCCMNQESA-N 1 3 372.513 2.543 20 0 FFADHO C[NH+](C)CCOc1ccc(CCNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000659287001 969799363 /nfs/dbraw/zinc/79/93/63/969799363.db2.gz JECZLUSBCSDVKM-OAQYLSRUSA-N 1 3 367.493 2.520 20 0 FFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000659353504 969856754 /nfs/dbraw/zinc/85/67/54/969856754.db2.gz OCQRSZFVZMYQIA-SFTDATJTSA-N 1 3 365.477 2.564 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N2CCCC2)cc1 ZINC000659426454 969917785 /nfs/dbraw/zinc/91/77/85/969917785.db2.gz WWEKUJDJNOVXPW-MOPGFXCFSA-N 1 3 362.518 2.505 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N2CCCC2)c1 ZINC000659427708 969918724 /nfs/dbraw/zinc/91/87/24/969918724.db2.gz RVZXQEUKRDBRRO-MOPGFXCFSA-N 1 3 362.518 2.505 20 0 FFADHO CC(C)CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676479 970084677 /nfs/dbraw/zinc/08/46/77/970084677.db2.gz LTPPYEOSEVLIHZ-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001104676553 970084731 /nfs/dbraw/zinc/08/47/31/970084731.db2.gz PMABJWAAYXYOOX-KZNAEPCWSA-N 1 3 363.571 2.849 20 0 FFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001104679288 970088450 /nfs/dbraw/zinc/08/84/50/970088450.db2.gz IBLOMFRVAWOXKH-SFHLNBCPSA-N 1 3 357.542 2.911 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892875123 970344443 /nfs/dbraw/zinc/34/44/43/970344443.db2.gz CRKXYJFCTTWIDI-MOPGFXCFSA-N 1 3 366.477 2.740 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CN[C@@H]3CC[N@@H+](C4CCCC4)C3)c2cc1C ZINC000644550442 970463637 /nfs/dbraw/zinc/46/36/37/970463637.db2.gz VQNMUGRPXPAJFU-MJGOQNOKSA-N 1 3 356.514 2.621 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CN[C@@H]3CC[N@H+](C4CCCC4)C3)c2cc1C ZINC000644550442 970463647 /nfs/dbraw/zinc/46/36/47/970463647.db2.gz VQNMUGRPXPAJFU-MJGOQNOKSA-N 1 3 356.514 2.621 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1 ZINC001088106107 972819353 /nfs/dbraw/zinc/81/93/53/972819353.db2.gz NJBQHECHFWDRPT-FCEUIQTBSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1 ZINC001088106107 972819363 /nfs/dbraw/zinc/81/93/63/972819363.db2.gz NJBQHECHFWDRPT-FCEUIQTBSA-N 1 3 369.553 2.884 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c1 ZINC001088106071 972820981 /nfs/dbraw/zinc/82/09/81/972820981.db2.gz MESSRUDWNAQZIH-UZKOGDIHSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c1 ZINC001088106071 972820990 /nfs/dbraw/zinc/82/09/90/972820990.db2.gz MESSRUDWNAQZIH-UZKOGDIHSA-N 1 3 369.553 2.926 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)CC[C@@H]2C1)N(C)C ZINC001088109482 972838079 /nfs/dbraw/zinc/83/80/79/972838079.db2.gz IETTYSYZRXGSRB-HKBOAZHASA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3C)CC[C@@H]2C1)N(C)C ZINC001088109482 972838086 /nfs/dbraw/zinc/83/80/86/972838086.db2.gz IETTYSYZRXGSRB-HKBOAZHASA-N 1 3 357.542 2.924 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)[C@H]1c1ccccc1 ZINC000660956629 973223869 /nfs/dbraw/zinc/22/38/69/973223869.db2.gz BRRYWKQAZREMAW-HLAWJBBLSA-N 1 3 370.541 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)[C@H]1c1ccccc1 ZINC000660956629 973223875 /nfs/dbraw/zinc/22/38/75/973223875.db2.gz BRRYWKQAZREMAW-HLAWJBBLSA-N 1 3 370.541 2.853 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211747 973666438 /nfs/dbraw/zinc/66/64/38/973666438.db2.gz XYVZOIRNXCEGLE-CTNGQTDRSA-N 1 3 370.541 2.546 20 0 FFADHO COc1ccc(C[N@H+](CCc2ccccn2)C[C@H](O)CN2CCCC2)cc1 ZINC000796525473 1014154123 /nfs/dbraw/zinc/15/41/23/1014154123.db2.gz YCOHQBZTBVNOPS-OAQYLSRUSA-N 1 3 369.509 2.592 20 0 FFADHO COc1ccc(C[N@@H+](CCc2ccccn2)C[C@H](O)CN2CCCC2)cc1 ZINC000796525473 1014154126 /nfs/dbraw/zinc/15/41/26/1014154126.db2.gz YCOHQBZTBVNOPS-OAQYLSRUSA-N 1 3 369.509 2.592 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000661896252 974913996 /nfs/dbraw/zinc/91/39/96/974913996.db2.gz FVMCAOKMEMLFAE-GOSISDBHSA-N 1 3 364.534 2.863 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCF)C1)CC(C)(C)C ZINC001211676942 974986687 /nfs/dbraw/zinc/98/66/87/974986687.db2.gz WUEPSANTQAPGRW-RBUKOAKNSA-N 1 3 363.521 2.908 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653155702 1014240418 /nfs/dbraw/zinc/24/04/18/1014240418.db2.gz CMEOUFRSTNLGHQ-PMACEKPBSA-N 1 3 356.514 2.686 20 0 FFADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291704 975407472 /nfs/dbraw/zinc/40/74/72/975407472.db2.gz XVZFGHRIVGOUHU-GHTZIAJQSA-N 1 3 357.542 2.754 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000662293286 975409373 /nfs/dbraw/zinc/40/93/73/975409373.db2.gz FUNWVWKAZOXARL-CTNGQTDRSA-N 1 3 355.526 2.892 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000662295410 975411114 /nfs/dbraw/zinc/41/11/14/975411114.db2.gz QZOHVPYTMCKJSM-BUMILGAPSA-N 1 3 359.558 2.783 20 0 FFADHO CC[N@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000653200600 1014261022 /nfs/dbraw/zinc/26/10/22/1014261022.db2.gz KDBUILMAASKRJO-WAOWUJCRSA-N 1 3 365.562 2.680 20 0 FFADHO CC[N@@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000653200600 1014261029 /nfs/dbraw/zinc/26/10/29/1014261029.db2.gz KDBUILMAASKRJO-WAOWUJCRSA-N 1 3 365.562 2.680 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662426586 975517857 /nfs/dbraw/zinc/51/78/57/975517857.db2.gz VWNAHRAPMPTMIJ-FQEVSTJZSA-N 1 3 369.509 2.769 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662660080 975794794 /nfs/dbraw/zinc/79/47/94/975794794.db2.gz BKSNOSSTLYJUFV-SFHVURJKSA-N 1 3 369.534 2.783 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662660080 975794801 /nfs/dbraw/zinc/79/48/01/975794801.db2.gz BKSNOSSTLYJUFV-SFHVURJKSA-N 1 3 369.534 2.783 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C\Cl)C1)N(C)C ZINC001112531309 975870404 /nfs/dbraw/zinc/87/04/04/975870404.db2.gz QSFBQQMXHSWVOT-RYAJVHIFSA-N 1 3 362.345 2.864 20 0 FFADHO CCN(C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663460116 975965395 /nfs/dbraw/zinc/96/53/95/975965395.db2.gz YBYCGQBRZIMRFB-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663460116 975965397 /nfs/dbraw/zinc/96/53/97/975965397.db2.gz YBYCGQBRZIMRFB-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466854 975977929 /nfs/dbraw/zinc/97/79/29/975977929.db2.gz ALSKGDJWRTWATJ-GHTZIAJQSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466854 975977941 /nfs/dbraw/zinc/97/79/41/975977941.db2.gz ALSKGDJWRTWATJ-GHTZIAJQSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466854 975977951 /nfs/dbraw/zinc/97/79/51/975977951.db2.gz ALSKGDJWRTWATJ-GHTZIAJQSA-N 1 3 357.542 2.836 20 0 FFADHO COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663499732 976068326 /nfs/dbraw/zinc/06/83/26/976068326.db2.gz LOIMDQPHVYBJOM-IRXDYDNUSA-N 1 3 364.534 2.636 20 0 FFADHO COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663499732 976068340 /nfs/dbraw/zinc/06/83/40/976068340.db2.gz LOIMDQPHVYBJOM-IRXDYDNUSA-N 1 3 364.534 2.636 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cncc(C)c2)CC3)CC[N@@H+]1C ZINC000990758470 976911654 /nfs/dbraw/zinc/91/16/54/976911654.db2.gz ADCXPFAZVITGHK-HIUFNZKISA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cncc(C)c2)CC3)CC[N@H+]1C ZINC000990758470 976911661 /nfs/dbraw/zinc/91/16/61/976911661.db2.gz ADCXPFAZVITGHK-HIUFNZKISA-N 1 3 370.541 2.734 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2cccnc2)C1 ZINC001211702716 976968330 /nfs/dbraw/zinc/96/83/30/976968330.db2.gz ACEBGEBJPMOQJE-LEWJYISDSA-N 1 3 366.509 2.508 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2cccnc2)C1 ZINC001211702716 976968340 /nfs/dbraw/zinc/96/83/40/976968340.db2.gz ACEBGEBJPMOQJE-LEWJYISDSA-N 1 3 366.509 2.508 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667795711 977051313 /nfs/dbraw/zinc/05/13/13/977051313.db2.gz MRQFMKGYFMMJBM-HNNXBMFYSA-N 1 3 359.518 2.749 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667795711 977051322 /nfs/dbraw/zinc/05/13/22/977051322.db2.gz MRQFMKGYFMMJBM-HNNXBMFYSA-N 1 3 359.518 2.749 20 0 FFADHO C[C@H]1[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667802533 977058976 /nfs/dbraw/zinc/05/89/76/977058976.db2.gz TUFZIDBQSUEKAO-HNAYVOBHSA-N 1 3 365.481 2.512 20 0 FFADHO C[C@H]1[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)CC[N@H+]1Cc1ccccc1 ZINC000667802533 977058983 /nfs/dbraw/zinc/05/89/83/977058983.db2.gz TUFZIDBQSUEKAO-HNAYVOBHSA-N 1 3 365.481 2.512 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)CNCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000667803937 977075621 /nfs/dbraw/zinc/07/56/21/977075621.db2.gz SBDNVALNPJZLIU-LIRRHRJNSA-N 1 3 353.470 2.540 20 0 FFADHO COc1ccc(C(C)C)cc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000653577290 1014380951 /nfs/dbraw/zinc/38/09/51/1014380951.db2.gz JXMROLMTSRJYJS-UHFFFAOYSA-N 1 3 361.530 2.708 20 0 FFADHO CC(C)[NH+]1CCN(C2CCN(Cc3cc4c(cc[nH]c4=O)o3)CC2)CC1 ZINC000876791051 1014393079 /nfs/dbraw/zinc/39/30/79/1014393079.db2.gz DDXZZGWSZWDNGG-UHFFFAOYSA-N 1 3 358.486 2.524 20 0 FFADHO CC(C)(C)OC(=O)N1CCSC[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168366295 977441753 /nfs/dbraw/zinc/44/17/53/977441753.db2.gz NXUXEQNZMDXVNM-KRWDZBQOSA-N 1 3 369.575 2.803 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000893878560 977579816 /nfs/dbraw/zinc/57/98/16/977579816.db2.gz SJBUWZVJUQDGSI-SXLOBPIMSA-N 1 3 358.530 2.805 20 0 FFADHO CCN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000664125683 978049784 /nfs/dbraw/zinc/04/97/84/978049784.db2.gz DYZSBFZKBAVOPN-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000664125683 978049787 /nfs/dbraw/zinc/04/97/87/978049787.db2.gz DYZSBFZKBAVOPN-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000877136794 1014485752 /nfs/dbraw/zinc/48/57/52/1014485752.db2.gz LZIKNEQUFUTQTR-YZGWKJHDSA-N 1 3 350.466 2.747 20 0 FFADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000796427183 1014528933 /nfs/dbraw/zinc/52/89/33/1014528933.db2.gz BQCHUMFNXPTERX-QZTJIDSGSA-N 1 3 367.484 2.846 20 0 FFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001076086209 979094524 /nfs/dbraw/zinc/09/45/24/979094524.db2.gz UCJZQFZBULWITI-HBMCJLEFSA-N 1 3 353.510 2.594 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)cc1C ZINC001076242320 979274988 /nfs/dbraw/zinc/27/49/88/979274988.db2.gz ADQRBKAUZGDYKI-ORYQWCPZSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)cc1C ZINC001076242320 979274990 /nfs/dbraw/zinc/27/49/90/979274990.db2.gz ADQRBKAUZGDYKI-ORYQWCPZSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]21)N1CCCCCC1 ZINC001076324424 979382719 /nfs/dbraw/zinc/38/27/19/979382719.db2.gz SEQRISREGKHTOH-BPQIPLTHSA-N 1 3 369.500 2.829 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21)N1CCCCCC1 ZINC001076324424 979382727 /nfs/dbraw/zinc/38/27/27/979382727.db2.gz SEQRISREGKHTOH-BPQIPLTHSA-N 1 3 369.500 2.829 20 0 FFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904389557 980261859 /nfs/dbraw/zinc/26/18/59/980261859.db2.gz NDVWSIAYMCMXSN-LJQANCHMSA-N 1 3 372.488 2.958 20 0 FFADHO Cc1ccncc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211914403 980755850 /nfs/dbraw/zinc/75/58/50/980755850.db2.gz AJTPRXLMBYKCQH-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ccncc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23CNC3)n1 ZINC001211914403 980755858 /nfs/dbraw/zinc/75/58/58/980755858.db2.gz AJTPRXLMBYKCQH-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cncc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211916890 981041986 /nfs/dbraw/zinc/04/19/86/981041986.db2.gz UMYFWJXWEBQDPQ-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1cncc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211916890 981041991 /nfs/dbraw/zinc/04/19/91/981041991.db2.gz UMYFWJXWEBQDPQ-GOSISDBHSA-N 1 3 361.449 2.629 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc(CF)cc1 ZINC001088571469 981162365 /nfs/dbraw/zinc/16/23/65/981162365.db2.gz BGOMFCVVSOFEQX-XPGWFJOJSA-N 1 3 359.489 2.577 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)cc1C ZINC001088571848 981165433 /nfs/dbraw/zinc/16/54/33/981165433.db2.gz PKXXJCNEJXWJAF-UIFIKXQLSA-N 1 3 355.526 2.724 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000654408203 1014713371 /nfs/dbraw/zinc/71/33/71/1014713371.db2.gz YPGOEUKAPZNMRZ-UFYCRDLUSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000654408203 1014713382 /nfs/dbraw/zinc/71/33/82/1014713382.db2.gz YPGOEUKAPZNMRZ-UFYCRDLUSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1cc(C)cc(OCCN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)c1 ZINC001088577840 981287248 /nfs/dbraw/zinc/28/72/48/981287248.db2.gz RNIDLUUAMQHQNN-UKAVVXHISA-N 1 3 373.541 2.601 20 0 FFADHO Cc1cc(C)cc(OCCN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)c1 ZINC001088577840 981287251 /nfs/dbraw/zinc/28/72/51/981287251.db2.gz RNIDLUUAMQHQNN-UKAVVXHISA-N 1 3 373.541 2.601 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(N(C)C)c3)[C@@H]2C)CC[N@@H+]1C ZINC001088578909 981291817 /nfs/dbraw/zinc/29/18/17/981291817.db2.gz DAGQUZJDJOREAJ-MBPVOVBZSA-N 1 3 372.557 2.562 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(N(C)C)c3)[C@@H]2C)CC[N@H+]1C ZINC001088578909 981291821 /nfs/dbraw/zinc/29/18/21/981291821.db2.gz DAGQUZJDJOREAJ-MBPVOVBZSA-N 1 3 372.557 2.562 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760476317 982425737 /nfs/dbraw/zinc/42/57/37/982425737.db2.gz TVMGKKFQTKELLH-UHFFFAOYSA-N 1 3 374.598 2.719 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1C ZINC001088693022 982794980 /nfs/dbraw/zinc/79/49/80/982794980.db2.gz IOIZDLICPZMNTD-HYVNUMGLSA-N 1 3 357.489 2.731 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H]1C ZINC001088693022 982794984 /nfs/dbraw/zinc/79/49/84/982794984.db2.gz IOIZDLICPZMNTD-HYVNUMGLSA-N 1 3 357.489 2.731 20 0 FFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2OCCNC3)cc1 ZINC000911763263 983892322 /nfs/dbraw/zinc/89/23/22/983892322.db2.gz FXEMXOQFGWANQH-IBGZPJMESA-N 1 3 353.466 2.722 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cnc(Cl)s2)C2CC2)CC[N@@H+]1C ZINC001483563772 984085568 /nfs/dbraw/zinc/08/55/68/984085568.db2.gz KWFOJLIEVMFDBW-SOUVJXGZSA-N 1 3 370.950 2.511 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cnc(Cl)s2)C2CC2)CC[N@H+]1C ZINC001483563772 984085577 /nfs/dbraw/zinc/08/55/77/984085577.db2.gz KWFOJLIEVMFDBW-SOUVJXGZSA-N 1 3 370.950 2.511 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913289417 984233069 /nfs/dbraw/zinc/23/30/69/984233069.db2.gz VCHAYSKHQWEDQM-NHCUHLMSSA-N 1 3 355.482 2.908 20 0 FFADHO NC(=O)c1ccc(O[C@@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168395350 984473513 /nfs/dbraw/zinc/47/35/13/984473513.db2.gz WKMIPSIZFHXCEE-HXUWFJFHSA-N 1 3 357.498 2.503 20 0 FFADHO NC(=O)c1ccc(O[C@@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168395350 984473517 /nfs/dbraw/zinc/47/35/17/984473517.db2.gz WKMIPSIZFHXCEE-HXUWFJFHSA-N 1 3 357.498 2.503 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H](C4CC4)N(C)C)CCC[C@@H]23)c1 ZINC001107438632 984539293 /nfs/dbraw/zinc/53/92/93/984539293.db2.gz FMAYJPKWOMCSOD-KCZVDYSFSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H](C4CC4)N(C)C)CCC[C@@H]23)c1 ZINC001107438632 984539297 /nfs/dbraw/zinc/53/92/97/984539297.db2.gz FMAYJPKWOMCSOD-KCZVDYSFSA-N 1 3 370.541 2.591 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC(C)C)CC2 ZINC001107454927 984560036 /nfs/dbraw/zinc/56/00/36/984560036.db2.gz QMWGRBGUUNWRAA-WIYYLYMNSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC(C)C)CC2 ZINC001107454927 984560039 /nfs/dbraw/zinc/56/00/39/984560039.db2.gz QMWGRBGUUNWRAA-WIYYLYMNSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000651228341 1015062073 /nfs/dbraw/zinc/06/20/73/1015062073.db2.gz WWHHWPRKLMDZDE-PKOBYXMFSA-N 1 3 367.541 2.906 20 0 FFADHO CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567335 984711734 /nfs/dbraw/zinc/71/17/34/984711734.db2.gz RNXPZYAIHZGMRG-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567335 984711738 /nfs/dbraw/zinc/71/17/38/984711738.db2.gz RNXPZYAIHZGMRG-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1)C1CC1 ZINC001112114335 984749395 /nfs/dbraw/zinc/74/93/95/984749395.db2.gz MLDHIYSYPXDFSD-RBSFLKMASA-N 1 3 363.468 2.742 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000764919631 984808901 /nfs/dbraw/zinc/80/89/01/984808901.db2.gz JYKBRQHQZACLFT-SFHVURJKSA-N 1 3 355.530 2.859 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2 ZINC001107621416 984875852 /nfs/dbraw/zinc/87/58/52/984875852.db2.gz OUTRQAJCVSDASO-IFMALSPDSA-N 1 3 366.509 2.864 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccccc1)CC2 ZINC001107621416 984875868 /nfs/dbraw/zinc/87/58/68/984875868.db2.gz OUTRQAJCVSDASO-IFMALSPDSA-N 1 3 366.509 2.864 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@H]1CCCCO1)CC2 ZINC001107646575 984938225 /nfs/dbraw/zinc/93/82/25/984938225.db2.gz LDHFMJCRPFOVMW-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@H]1CCCCO1)CC2 ZINC001107646575 984938230 /nfs/dbraw/zinc/93/82/30/984938230.db2.gz LDHFMJCRPFOVMW-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872398 985214701 /nfs/dbraw/zinc/21/47/01/985214701.db2.gz QUZYBAYYPAYKPL-PBASOCQRSA-N 1 3 355.526 2.877 20 0 FFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872398 985214707 /nfs/dbraw/zinc/21/47/07/985214707.db2.gz QUZYBAYYPAYKPL-PBASOCQRSA-N 1 3 355.526 2.877 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063148854 985739135 /nfs/dbraw/zinc/73/91/35/985739135.db2.gz VUBGVEUMRDWYGF-GOSISDBHSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063148854 985739142 /nfs/dbraw/zinc/73/91/42/985739142.db2.gz VUBGVEUMRDWYGF-GOSISDBHSA-N 1 3 374.598 2.990 20 0 FFADHO S=C(NCC[NH+]1CCCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000063148248 985739450 /nfs/dbraw/zinc/73/94/50/985739450.db2.gz SFJUWQOWLUAPQQ-UHFFFAOYSA-N 1 3 374.598 2.991 20 0 FFADHO C[C@H]1CN(Cc2c[nH]c3ncc(Br)nc23)CCC[C@H]1C[NH3+] ZINC001206025426 1032112824 /nfs/dbraw/zinc/11/28/24/1032112824.db2.gz NYMQOCJGMUTDDX-QWRGUYRKSA-N 1 3 352.280 2.527 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN(C(=O)OC)CC2)CC1 ZINC000088688554 986545609 /nfs/dbraw/zinc/54/56/09/986545609.db2.gz HFHYBFLUBHPBBW-UHFFFAOYSA-N 1 3 374.529 2.539 20 0 FFADHO CCCCOCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133074 987027028 /nfs/dbraw/zinc/02/70/28/987027028.db2.gz HDAVYJVNNUQVNP-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000913948496 987061810 /nfs/dbraw/zinc/06/18/10/987061810.db2.gz JVMYFISQRCSARM-WOJBJXKFSA-N 1 3 369.513 2.677 20 0 FFADHO CC[C@@H](NCC1(C[NH2+][C@@H](CC)[C@H]2CCCCO2)COC1)[C@H]1CCCCO1 ZINC000653874390 987594782 /nfs/dbraw/zinc/59/47/82/987594782.db2.gz GEPXDSATSJDACQ-IYWMVGAKSA-N 1 3 368.562 2.878 20 0 FFADHO CC[C@@H]([NH2+]CC1(CN[C@@H](CC)[C@H]2CCCCO2)COC1)[C@H]1CCCCO1 ZINC000653874390 987594792 /nfs/dbraw/zinc/59/47/92/987594792.db2.gz GEPXDSATSJDACQ-IYWMVGAKSA-N 1 3 368.562 2.878 20 0 FFADHO C[C@@H](C[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)CN(C)C ZINC000922139712 987732978 /nfs/dbraw/zinc/73/29/78/987732978.db2.gz KEKKKZPSXVMLRY-IRXDYDNUSA-N 1 3 369.550 2.722 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001106249227 987756226 /nfs/dbraw/zinc/75/62/26/987756226.db2.gz CVMUMMQMWRQVRU-KDQNLZRCSA-N 1 3 355.526 2.724 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCc2cccs2)[C@H](C)C1)N(C)C ZINC001106281726 987838685 /nfs/dbraw/zinc/83/86/85/987838685.db2.gz AADIYKVFZDLDNL-NUJGCVRESA-N 1 3 351.560 2.561 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1)N(C)C ZINC001106281998 987839468 /nfs/dbraw/zinc/83/94/68/987839468.db2.gz ONCZYILKMCMEOS-OAGGEKHMSA-N 1 3 365.484 2.989 20 0 FFADHO C[C@@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000193383873 988257411 /nfs/dbraw/zinc/25/74/11/988257411.db2.gz UFIGYZFHLXLTSX-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO COCCN(Cc1ccc(-c2ccccn2)nc1)CC1CC[NH+](C)CC1 ZINC000879125713 1015374371 /nfs/dbraw/zinc/37/43/71/1015374371.db2.gz GURMXFQLMHXILC-UHFFFAOYSA-N 1 3 354.498 2.934 20 0 FFADHO C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311824402 988296779 /nfs/dbraw/zinc/29/67/79/988296779.db2.gz NWTZLDWSSBUIRC-DUXKGJEZSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311824402 988296786 /nfs/dbraw/zinc/29/67/86/988296786.db2.gz NWTZLDWSSBUIRC-DUXKGJEZSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nc(C(C)(C)C)cs1 ZINC001106628038 988533104 /nfs/dbraw/zinc/53/31/04/988533104.db2.gz CVCOUEGFBKSLCY-HUUCEWRRSA-N 1 3 366.575 2.576 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922386818 988543515 /nfs/dbraw/zinc/54/35/15/988543515.db2.gz JBBBHBXERCWLQC-CZYKHXBRSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922386818 988543519 /nfs/dbraw/zinc/54/35/19/988543519.db2.gz JBBBHBXERCWLQC-CZYKHXBRSA-N 1 3 368.525 2.750 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccnn3CC3CCC3)C2)[C@H]1C(C)C ZINC000922396137 988564569 /nfs/dbraw/zinc/56/45/69/988564569.db2.gz VFHHVVOTCXZEER-XRXFAXGQSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccnn3CC3CCC3)C2)[C@H]1C(C)C ZINC000922396137 988564579 /nfs/dbraw/zinc/56/45/79/988564579.db2.gz VFHHVVOTCXZEER-XRXFAXGQSA-N 1 3 360.546 2.643 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001106665140 988607773 /nfs/dbraw/zinc/60/77/73/988607773.db2.gz JCWSJWRHRKXEDM-ZIFCJYIRSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001106667883 988615208 /nfs/dbraw/zinc/61/52/08/988615208.db2.gz ATARJOYSUUQTBT-HGOLLRJXSA-N 1 3 362.345 2.721 20 0 FFADHO Cc1cc(CN2CC[C@H](C3C[NH2+]C3)C2)cc(C)c1I ZINC001235340196 988742336 /nfs/dbraw/zinc/74/23/36/988742336.db2.gz INUAZHCPFKPHBE-AWEZNQCLSA-N 1 3 370.278 2.949 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cc(C)n(C)n2)CC1 ZINC000922688435 988821272 /nfs/dbraw/zinc/82/12/72/988821272.db2.gz PDBUNRLRWWBHQA-UHFFFAOYSA-N 1 3 355.530 2.593 20 0 FFADHO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000673774523 989246065 /nfs/dbraw/zinc/24/60/65/989246065.db2.gz DRHNTYXSESFJKG-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000673774523 989246070 /nfs/dbraw/zinc/24/60/70/989246070.db2.gz DRHNTYXSESFJKG-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000675120265 990059636 /nfs/dbraw/zinc/05/96/36/990059636.db2.gz WVSCSRDYNWGEQH-DBXWQHBBSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000675120265 990059642 /nfs/dbraw/zinc/05/96/42/990059642.db2.gz WVSCSRDYNWGEQH-DBXWQHBBSA-N 1 3 370.541 2.775 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348191 1015533868 /nfs/dbraw/zinc/53/38/68/1015533868.db2.gz WZEHTTSFLVQFGU-WJMWBRGCSA-N 1 3 373.541 2.560 20 0 FFADHO CCc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652361939 1015541343 /nfs/dbraw/zinc/54/13/43/1015541343.db2.gz UBZFOOJJAUVPCA-NJYVYQBISA-N 1 3 373.541 2.568 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000675811774 990388590 /nfs/dbraw/zinc/38/85/90/990388590.db2.gz IFTXFOMAESONHS-UHOSZYNNSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000675811774 990388596 /nfs/dbraw/zinc/38/85/96/990388596.db2.gz IFTXFOMAESONHS-UHOSZYNNSA-N 1 3 362.514 2.725 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000652424246 1015560440 /nfs/dbraw/zinc/56/04/40/1015560440.db2.gz WOAQEZVHJGNCQK-RTBURBONSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=S)NC2CCN(C)CC2)C1 ZINC000920309150 990830141 /nfs/dbraw/zinc/83/01/41/990830141.db2.gz AAQVZLVOZJKNPC-KRWDZBQOSA-N 1 3 374.598 2.977 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=S)NC2CCN(C)CC2)C1 ZINC000920309150 990830145 /nfs/dbraw/zinc/83/01/45/990830145.db2.gz AAQVZLVOZJKNPC-KRWDZBQOSA-N 1 3 374.598 2.977 20 0 FFADHO N[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000189000958 990915630 /nfs/dbraw/zinc/91/56/30/990915630.db2.gz CLJXLUSTYPQSAT-AYOQOUSVSA-N 1 3 359.420 2.617 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503825 991203964 /nfs/dbraw/zinc/20/39/64/991203964.db2.gz LVGIPVIVWXNDIJ-KZNAEPCWSA-N 1 3 358.530 2.921 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC001106909478 991480050 /nfs/dbraw/zinc/48/00/50/991480050.db2.gz JZOYWUXLGTUHPH-DYESRHJHSA-N 1 3 357.542 2.701 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)CN(CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000879702532 1015646393 /nfs/dbraw/zinc/64/63/93/1015646393.db2.gz OSNDZUVMHUVWOL-UHFFFAOYSA-N 1 3 374.529 2.883 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079151370 991815504 /nfs/dbraw/zinc/81/55/04/991815504.db2.gz OASCLUVAOQHRHI-ZCNNSNEGSA-N 1 3 361.505 2.993 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)CCc2ccccc2F)CC[N@@H+]1C ZINC001485055475 991826711 /nfs/dbraw/zinc/82/67/11/991826711.db2.gz KIMCZZKBKCWPAN-BHIYHBOVSA-N 1 3 361.505 2.631 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)CCc2ccccc2F)CC[N@H+]1C ZINC001485055475 991826728 /nfs/dbraw/zinc/82/67/28/991826728.db2.gz KIMCZZKBKCWPAN-BHIYHBOVSA-N 1 3 361.505 2.631 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1ccccc1F ZINC001079322005 991997945 /nfs/dbraw/zinc/99/79/45/991997945.db2.gz IUNSKQSZWDRCMA-DFQSSKMNSA-N 1 3 361.505 2.994 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001079687719 992313164 /nfs/dbraw/zinc/31/31/64/992313164.db2.gz UDKFIRMJVKDEBF-QRQLOZEOSA-N 1 3 363.571 2.990 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001079687719 992313176 /nfs/dbraw/zinc/31/31/76/992313176.db2.gz UDKFIRMJVKDEBF-QRQLOZEOSA-N 1 3 363.571 2.990 20 0 FFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC001080037477 992686840 /nfs/dbraw/zinc/68/68/40/992686840.db2.gz LYBIMWKWHDAJIM-YLJYHZDGSA-N 1 3 355.526 2.814 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037970 992687893 /nfs/dbraw/zinc/68/78/93/992687893.db2.gz WUXFOJFAWNHXIV-DYESRHJHSA-N 1 3 367.537 2.740 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC001107042383 993295981 /nfs/dbraw/zinc/29/59/81/993295981.db2.gz KHULPZSXLCLAME-ZACQAIPSSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001080786274 993372517 /nfs/dbraw/zinc/37/25/17/993372517.db2.gz FCUGYBOCPDXJLE-WIYYLYMNSA-N 1 3 369.553 2.917 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787765 993373899 /nfs/dbraw/zinc/37/38/99/993373899.db2.gz QVJKAXUJRFEISG-RHSMWYFYSA-N 1 3 363.452 2.657 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799070 993977620 /nfs/dbraw/zinc/97/76/20/993977620.db2.gz AYTVZWRKDCWRAM-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1CN(CCCC2CCC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799070 993977630 /nfs/dbraw/zinc/97/76/30/993977630.db2.gz AYTVZWRKDCWRAM-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131454175 994262056 /nfs/dbraw/zinc/26/20/56/994262056.db2.gz ONKTWGIPUBJTNJ-AABGKKOBSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001082507070 994786480 /nfs/dbraw/zinc/78/64/80/994786480.db2.gz ARIXJMOACBSUEH-DJIMGWMZSA-N 1 3 364.921 2.544 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)n2)C1 ZINC001082507070 994786493 /nfs/dbraw/zinc/78/64/93/994786493.db2.gz ARIXJMOACBSUEH-DJIMGWMZSA-N 1 3 364.921 2.544 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cnc(Cl)s2)C1 ZINC001082544945 994887828 /nfs/dbraw/zinc/88/78/28/994887828.db2.gz YTEWJAFXTFDRBK-YUELXQCFSA-N 1 3 370.950 2.607 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cnc(Cl)s2)C1 ZINC001082544945 994887840 /nfs/dbraw/zinc/88/78/40/994887840.db2.gz YTEWJAFXTFDRBK-YUELXQCFSA-N 1 3 370.950 2.607 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC001082556901 994926121 /nfs/dbraw/zinc/92/61/21/994926121.db2.gz HKOYTYJYIFHXAN-CRAIPNDOSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1sccc1Cl ZINC001082559760 994933642 /nfs/dbraw/zinc/93/36/42/994933642.db2.gz OOLGBOZRJQVUJH-DJSGYFEHSA-N 1 3 355.935 2.678 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC001082559876 994934786 /nfs/dbraw/zinc/93/47/86/994934786.db2.gz RKHBPCRQSAZAKV-FSPWUOQZSA-N 1 3 365.468 2.901 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1NCc1ccccn1 ZINC001082608109 995055761 /nfs/dbraw/zinc/05/57/61/995055761.db2.gz IQYIRSWPWSOCNM-VQIMIIECSA-N 1 3 358.530 2.671 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1NCc1ccccn1 ZINC001082608109 995055773 /nfs/dbraw/zinc/05/57/73/995055773.db2.gz IQYIRSWPWSOCNM-VQIMIIECSA-N 1 3 358.530 2.671 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C)s1 ZINC001082612597 995089995 /nfs/dbraw/zinc/08/99/95/995089995.db2.gz WBIVVBCPHDDCJT-ZTFGCOKTSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C)s1 ZINC001082612597 995089998 /nfs/dbraw/zinc/08/99/98/995089998.db2.gz WBIVVBCPHDDCJT-ZTFGCOKTSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC001086700005 995310824 /nfs/dbraw/zinc/31/08/24/995310824.db2.gz RVKYLXJBUOKROJ-YALNPMBYSA-N 1 3 365.468 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC001086700005 995310832 /nfs/dbraw/zinc/31/08/32/995310832.db2.gz RVKYLXJBUOKROJ-YALNPMBYSA-N 1 3 365.468 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1cccc(Cl)c1F ZINC001082719550 995349114 /nfs/dbraw/zinc/34/91/14/995349114.db2.gz REWPCBQFEPBLNW-CXAGYDPISA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC001082741171 995395234 /nfs/dbraw/zinc/39/52/34/995395234.db2.gz RIAHZIQLYHNVPB-GPMSIDNRSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001082741835 995398109 /nfs/dbraw/zinc/39/81/09/995398109.db2.gz DYAZYHISODTXFO-FRQCXROJSA-N 1 3 355.482 2.711 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001082742565 995400508 /nfs/dbraw/zinc/40/05/08/995400508.db2.gz KEMDTJURNYYOQD-WAOWUJCRSA-N 1 3 357.542 2.570 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001082851777 995647204 /nfs/dbraw/zinc/64/72/04/995647204.db2.gz BPUISEZJGVDCPJ-NXHRZFHOSA-N 1 3 364.559 2.734 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001082851777 995647207 /nfs/dbraw/zinc/64/72/07/995647207.db2.gz BPUISEZJGVDCPJ-NXHRZFHOSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082861856 995666355 /nfs/dbraw/zinc/66/63/55/995666355.db2.gz QUKBPPVJDDBXHH-QWQRMKEZSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082861856 995666359 /nfs/dbraw/zinc/66/63/59/995666359.db2.gz QUKBPPVJDDBXHH-QWQRMKEZSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H](NCc1ccc(CC(N)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679289010 1015986398 /nfs/dbraw/zinc/98/63/98/1015986398.db2.gz JBKJYCMCHOZAIA-UTKZUKDTSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@@H](NCc1ccc(CC(N)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679289010 1015986403 /nfs/dbraw/zinc/98/64/03/1015986403.db2.gz JBKJYCMCHOZAIA-UTKZUKDTSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679289010 1015986406 /nfs/dbraw/zinc/98/64/06/1015986406.db2.gz JBKJYCMCHOZAIA-UTKZUKDTSA-N 1 3 351.494 2.715 20 0 FFADHO COc1ccc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001049480072 1016003281 /nfs/dbraw/zinc/00/32/81/1016003281.db2.gz CVFIVYMQFFDXGN-DBOLQNLKSA-N 1 3 371.525 2.601 20 0 FFADHO COc1ccc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001049480072 1016003289 /nfs/dbraw/zinc/00/32/89/1016003289.db2.gz CVFIVYMQFFDXGN-DBOLQNLKSA-N 1 3 371.525 2.601 20 0 FFADHO COc1cccc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001049481687 1016007361 /nfs/dbraw/zinc/00/73/61/1016007361.db2.gz JCNGDDLMQCZMAU-RZXSNQJFSA-N 1 3 371.525 2.601 20 0 FFADHO COc1cccc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001049481687 1016007370 /nfs/dbraw/zinc/00/73/70/1016007370.db2.gz JCNGDDLMQCZMAU-RZXSNQJFSA-N 1 3 371.525 2.601 20 0 FFADHO COc1cccc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001049481686 1016008669 /nfs/dbraw/zinc/00/86/69/1016008669.db2.gz JCNGDDLMQCZMAU-QYRPDUKASA-N 1 3 371.525 2.601 20 0 FFADHO COc1cccc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001049481686 1016008680 /nfs/dbraw/zinc/00/86/80/1016008680.db2.gz JCNGDDLMQCZMAU-QYRPDUKASA-N 1 3 371.525 2.601 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)C1 ZINC001084403469 996545694 /nfs/dbraw/zinc/54/56/94/996545694.db2.gz VWJPLSPDPJTHEH-QHAWAJNXSA-N 1 3 359.558 2.997 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)C1 ZINC001084403469 996545696 /nfs/dbraw/zinc/54/56/96/996545696.db2.gz VWJPLSPDPJTHEH-QHAWAJNXSA-N 1 3 359.558 2.997 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001084406555 996549755 /nfs/dbraw/zinc/54/97/55/996549755.db2.gz SDXXOTGARZTZOW-YPAWHYETSA-N 1 3 369.553 2.664 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001084406555 996549759 /nfs/dbraw/zinc/54/97/59/996549759.db2.gz SDXXOTGARZTZOW-YPAWHYETSA-N 1 3 369.553 2.664 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)[C@@H]3C2)c1 ZINC001084406725 996549918 /nfs/dbraw/zinc/54/99/18/996549918.db2.gz XGWQKXKBPMFRJS-NRSPTQNISA-N 1 3 355.526 2.676 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)[C@@H]3C2)c1 ZINC001084406725 996549922 /nfs/dbraw/zinc/54/99/22/996549922.db2.gz XGWQKXKBPMFRJS-NRSPTQNISA-N 1 3 355.526 2.676 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21)N1CCCC1 ZINC001084571710 996684155 /nfs/dbraw/zinc/68/41/55/996684155.db2.gz AMMIRFSCZBECQA-BRWVUGGUSA-N 1 3 369.500 2.829 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21)N1CCCC1 ZINC001084571710 996684159 /nfs/dbraw/zinc/68/41/59/996684159.db2.gz AMMIRFSCZBECQA-BRWVUGGUSA-N 1 3 369.500 2.829 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]3C2)cc1 ZINC001084639388 996745467 /nfs/dbraw/zinc/74/54/67/996745467.db2.gz QQCPJLGXWVUTMW-NJDAHSKKSA-N 1 3 357.542 2.656 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]3C2)cc1 ZINC001084639388 996745469 /nfs/dbraw/zinc/74/54/69/996745469.db2.gz QQCPJLGXWVUTMW-NJDAHSKKSA-N 1 3 357.542 2.656 20 0 FFADHO O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1Cl ZINC001096545728 1016077851 /nfs/dbraw/zinc/07/78/51/1016077851.db2.gz MMTJFVLKDZTUIK-NEWSRXKRSA-N 1 3 361.917 2.700 20 0 FFADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1Cl ZINC001096545728 1016077860 /nfs/dbraw/zinc/07/78/60/1016077860.db2.gz MMTJFVLKDZTUIK-NEWSRXKRSA-N 1 3 361.917 2.700 20 0 FFADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1Cl ZINC001096545728 1016077869 /nfs/dbraw/zinc/07/78/69/1016077869.db2.gz MMTJFVLKDZTUIK-NEWSRXKRSA-N 1 3 361.917 2.700 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCC[C@H](O)c3ccccc3)CC2)CC1 ZINC000824819216 997100349 /nfs/dbraw/zinc/10/03/49/997100349.db2.gz MOOCYFDDSXHCMT-NRFANRHFSA-N 1 3 373.541 2.565 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21)c1c[nH]cn1 ZINC001084776288 997288309 /nfs/dbraw/zinc/28/83/09/997288309.db2.gz RYOPVRRQDPHDDV-IAGOWNOFSA-N 1 3 356.514 2.800 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)c1c[nH]cn1 ZINC001084776288 997288316 /nfs/dbraw/zinc/28/83/16/997288316.db2.gz RYOPVRRQDPHDDV-IAGOWNOFSA-N 1 3 356.514 2.800 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001084831136 997577180 /nfs/dbraw/zinc/57/71/80/997577180.db2.gz ADLHCRYWBWPLFQ-QHAWAJNXSA-N 1 3 353.510 2.548 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001084831136 997577187 /nfs/dbraw/zinc/57/71/87/997577187.db2.gz ADLHCRYWBWPLFQ-QHAWAJNXSA-N 1 3 353.510 2.548 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844224502 997716072 /nfs/dbraw/zinc/71/60/72/997716072.db2.gz GBYCKIIJJYCGBD-ROUUACIJSA-N 1 3 356.514 2.547 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001091039011 998276674 /nfs/dbraw/zinc/27/66/74/998276674.db2.gz JOZKLPDDVJEIQB-CCWWBTDTSA-N 1 3 361.505 2.849 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001091039011 998276686 /nfs/dbraw/zinc/27/66/86/998276686.db2.gz JOZKLPDDVJEIQB-CCWWBTDTSA-N 1 3 361.505 2.849 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(O)cc3C(F)(F)F)CC2)CC1 ZINC001144390980 998436531 /nfs/dbraw/zinc/43/65/31/998436531.db2.gz CXWFNXZWUHGTNX-UHFFFAOYSA-N 1 3 371.447 2.870 20 0 FFADHO C(=C\C[N@@H+]1CCC[C@H](n2ccnc2)C1)\CN1CCC[C@H](n2ccnc2)C1 ZINC000677554468 1016232047 /nfs/dbraw/zinc/23/20/47/1016232047.db2.gz WTGQXOZGPDJPLX-XLLYZGMYSA-N 1 3 354.502 2.610 20 0 FFADHO C(=C\C[N@H+]1CCC[C@H](n2ccnc2)C1)\CN1CCC[C@H](n2ccnc2)C1 ZINC000677554468 1016232055 /nfs/dbraw/zinc/23/20/55/1016232055.db2.gz WTGQXOZGPDJPLX-XLLYZGMYSA-N 1 3 354.502 2.610 20 0 FFADHO Cc1ncccc1CN1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159599 1016251994 /nfs/dbraw/zinc/25/19/94/1016251994.db2.gz CNMGPPOYIJYGRC-YLJYHZDGSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1ncccc1CN1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159599 1016251998 /nfs/dbraw/zinc/25/19/98/1016251998.db2.gz CNMGPPOYIJYGRC-YLJYHZDGSA-N 1 3 370.541 2.591 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001085072474 998853199 /nfs/dbraw/zinc/85/31/99/998853199.db2.gz BULVWRDFTGHRCD-QYZOEREBSA-N 1 3 353.526 2.923 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001085072474 998853204 /nfs/dbraw/zinc/85/32/04/998853204.db2.gz BULVWRDFTGHRCD-QYZOEREBSA-N 1 3 353.526 2.923 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)C1 ZINC001085075277 998855258 /nfs/dbraw/zinc/85/52/58/998855258.db2.gz XUIHTRSUPGOPOU-GGPKGHCWSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)C1 ZINC001085075277 998855260 /nfs/dbraw/zinc/85/52/60/998855260.db2.gz XUIHTRSUPGOPOU-GGPKGHCWSA-N 1 3 359.489 2.590 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN(Cc2ccccc2)C[C@H]2CCCO2)cnn1C ZINC000903886329 1016287746 /nfs/dbraw/zinc/28/77/46/1016287746.db2.gz PISAIWLOHUDWJV-TZIWHRDSSA-N 1 3 356.514 2.527 20 0 FFADHO COc1ccc(CC2CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)cc1 ZINC000903889853 1016290231 /nfs/dbraw/zinc/29/02/31/1016290231.db2.gz WOOXCQOJIHZDRG-FQEVSTJZSA-N 1 3 370.541 2.809 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001085241919 999233426 /nfs/dbraw/zinc/23/34/26/999233426.db2.gz SVAZAEKIMFFOIK-RTBURBONSA-N 1 3 370.541 2.783 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001085255166 999269314 /nfs/dbraw/zinc/26/93/14/999269314.db2.gz QSOHDXTWTNAQNW-KZNAEPCWSA-N 1 3 364.559 2.781 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001085255166 999269318 /nfs/dbraw/zinc/26/93/18/999269318.db2.gz QSOHDXTWTNAQNW-KZNAEPCWSA-N 1 3 364.559 2.781 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CNCc2ccc(OCC(F)(F)F)cc2)cnn1C ZINC000903922617 1016307607 /nfs/dbraw/zinc/30/76/07/1016307607.db2.gz ASKFDTPNMLHFSO-OAHLLOKOSA-N 1 3 370.419 2.577 20 0 FFADHO Clc1ccccc1N1CCC[C@@H](NCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903926464 1016308562 /nfs/dbraw/zinc/30/85/62/1016308562.db2.gz SJBYJKWMNZISRL-CVEARBPZSA-N 1 3 374.920 2.615 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001085319516 999356269 /nfs/dbraw/zinc/35/62/69/999356269.db2.gz AOAGMNJSARLZFB-QZTJIDSGSA-N 1 3 364.559 2.619 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001085332672 999379416 /nfs/dbraw/zinc/37/94/16/999379416.db2.gz IALSCHOSSJIGLN-DJIMGWMZSA-N 1 3 364.921 2.594 20 0 FFADHO C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001085395534 999452000 /nfs/dbraw/zinc/45/20/00/999452000.db2.gz QGFLVLPUNYIZJN-KFKAGJAMSA-N 1 3 359.489 3.000 20 0 FFADHO Cc1n[nH]cc1[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000180160449 999745671 /nfs/dbraw/zinc/74/56/71/999745671.db2.gz YKDYIKDDPFFDGI-SFHVURJKSA-N 1 3 355.530 2.967 20 0 FFADHO Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(C2CCCCC2)n1 ZINC000903980779 1016358501 /nfs/dbraw/zinc/35/85/01/1016358501.db2.gz ZPZPHLBEYKQBLI-OYRHEFFESA-N 1 3 371.573 2.868 20 0 FFADHO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c(C2CCCCC2)n1 ZINC000903980779 1016358512 /nfs/dbraw/zinc/35/85/12/1016358512.db2.gz ZPZPHLBEYKQBLI-OYRHEFFESA-N 1 3 371.573 2.868 20 0 FFADHO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c(C2CCCCC2)n1 ZINC000903980779 1016358522 /nfs/dbraw/zinc/35/85/22/1016358522.db2.gz ZPZPHLBEYKQBLI-OYRHEFFESA-N 1 3 371.573 2.868 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C1)C2 ZINC001169141318 1000026963 /nfs/dbraw/zinc/02/69/63/1000026963.db2.gz XAHZMIUIGFKQKA-FIRLOTFOSA-N 1 3 357.498 2.709 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C1)C2 ZINC001169141318 1000026964 /nfs/dbraw/zinc/02/69/64/1000026964.db2.gz XAHZMIUIGFKQKA-FIRLOTFOSA-N 1 3 357.498 2.709 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CO1 ZINC001169409318 1000044502 /nfs/dbraw/zinc/04/45/02/1000044502.db2.gz GXMPQZLNQHSBEU-WOJBJXKFSA-N 1 3 372.509 2.695 20 0 FFADHO Cn1cc(CN2CCCC23CC[NH+]([C@H]2CCCC4(C2)OCCO4)CC3)cn1 ZINC001169945088 1000089253 /nfs/dbraw/zinc/08/92/53/1000089253.db2.gz IBNLBLZTWJJXCJ-IBGZPJMESA-N 1 3 374.529 2.536 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109417827 1000407485 /nfs/dbraw/zinc/40/74/85/1000407485.db2.gz OMNAGKOTZYITPK-YRPNKDGESA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109417827 1000407490 /nfs/dbraw/zinc/40/74/90/1000407490.db2.gz OMNAGKOTZYITPK-YRPNKDGESA-N 1 3 365.562 2.645 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170002335 1000460450 /nfs/dbraw/zinc/46/04/50/1000460450.db2.gz AGRVLBSDPCIKNM-QGZVFWFLSA-N 1 3 353.551 2.972 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170002335 1000460454 /nfs/dbraw/zinc/46/04/54/1000460454.db2.gz AGRVLBSDPCIKNM-QGZVFWFLSA-N 1 3 353.551 2.972 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1 ZINC001109649209 1000777381 /nfs/dbraw/zinc/77/73/81/1000777381.db2.gz YDTRBOYAUQADKV-AABGKKOBSA-N 1 3 355.526 2.867 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4ccsc4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091687116 1001059546 /nfs/dbraw/zinc/05/95/46/1001059546.db2.gz QHSUUBLFYTWRNP-RMJJICAUSA-N 1 3 361.555 2.759 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4ccsc4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091687116 1001059550 /nfs/dbraw/zinc/05/95/50/1001059550.db2.gz QHSUUBLFYTWRNP-RMJJICAUSA-N 1 3 361.555 2.759 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091687263 1001060054 /nfs/dbraw/zinc/06/00/54/1001060054.db2.gz XTTNJHYVJFYTCQ-KHHDVDEJSA-N 1 3 373.516 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4cccc(F)c4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091687263 1001060057 /nfs/dbraw/zinc/06/00/57/1001060057.db2.gz XTTNJHYVJFYTCQ-KHHDVDEJSA-N 1 3 373.516 2.836 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCCc4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001091734954 1001170921 /nfs/dbraw/zinc/17/09/21/1001170921.db2.gz CKLYBVRESWBFRX-IRLDBZIGSA-N 1 3 369.553 2.884 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCCc4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001091734954 1001170928 /nfs/dbraw/zinc/17/09/28/1001170928.db2.gz CKLYBVRESWBFRX-IRLDBZIGSA-N 1 3 369.553 2.884 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(CN(C)C)c3)C2)o1 ZINC001086882141 1001300177 /nfs/dbraw/zinc/30/01/77/1001300177.db2.gz BYFAQBIEFNYRSU-QFBILLFUSA-N 1 3 370.497 2.733 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001112567892 1001498915 /nfs/dbraw/zinc/49/89/15/1001498915.db2.gz MXAPUGBKEZAVPG-AOIWGVFYSA-N 1 3 371.516 2.982 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(F)c2)C1 ZINC001112585511 1001536102 /nfs/dbraw/zinc/53/61/02/1001536102.db2.gz BZCMXPATBANXII-RXVVDRJESA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001112585484 1001536123 /nfs/dbraw/zinc/53/61/23/1001536123.db2.gz ATINYLJPNSUQDL-AOIWGVFYSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786810351 1001631634 /nfs/dbraw/zinc/63/16/34/1001631634.db2.gz UBNYQCHKHXLWLF-KZNAEPCWSA-N 1 3 374.529 2.756 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001087061209 1001742827 /nfs/dbraw/zinc/74/28/27/1001742827.db2.gz UVPBWYLSFRSEIE-AQNXPRMDSA-N 1 3 365.562 2.526 20 0 FFADHO O=C([C@@H]1CCCN1CC1CC1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001182554300 1001946400 /nfs/dbraw/zinc/94/64/00/1001946400.db2.gz UKKXHZCYLZETTF-FSSWDIPSSA-N 1 3 367.537 2.984 20 0 FFADHO O=C([C@@H]1CCCN1CC1CC1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001182554300 1001946409 /nfs/dbraw/zinc/94/64/09/1001946409.db2.gz UKKXHZCYLZETTF-FSSWDIPSSA-N 1 3 367.537 2.984 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)N(C)C ZINC001183362000 1002239991 /nfs/dbraw/zinc/23/99/91/1002239991.db2.gz CCSACPUQDPBKML-QHAWAJNXSA-N 1 3 357.542 2.943 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)N(C)C ZINC001183362000 1002239996 /nfs/dbraw/zinc/23/99/96/1002239996.db2.gz CCSACPUQDPBKML-QHAWAJNXSA-N 1 3 357.542 2.943 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092013482 1002286918 /nfs/dbraw/zinc/28/69/18/1002286918.db2.gz SAGNMFCDPVIVSJ-UZKOGDIHSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092013482 1002286927 /nfs/dbraw/zinc/28/69/27/1002286927.db2.gz SAGNMFCDPVIVSJ-UZKOGDIHSA-N 1 3 355.526 2.617 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCN(C(=O)OCc4ccccc4)C3)[C@H]2C1 ZINC001184389068 1002585218 /nfs/dbraw/zinc/58/52/18/1002585218.db2.gz UMZMNQWTSWVVGS-MUGJNUQGSA-N 1 3 357.498 2.717 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCC(F)(F)F)C[C@@]2(C)C1 ZINC001092302060 1002633102 /nfs/dbraw/zinc/63/31/02/1002633102.db2.gz RHOIKLPDNAXQBO-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@]2(C)C1 ZINC001092302060 1002633104 /nfs/dbraw/zinc/63/31/04/1002633104.db2.gz RHOIKLPDNAXQBO-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC001092603074 1003210640 /nfs/dbraw/zinc/21/06/40/1003210640.db2.gz SSZHXFRIFZVEJY-NRSPTQNISA-N 1 3 357.542 2.786 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C ZINC001092603074 1003210653 /nfs/dbraw/zinc/21/06/53/1003210653.db2.gz SSZHXFRIFZVEJY-NRSPTQNISA-N 1 3 357.542 2.786 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)Cc1ccccc1 ZINC000793329983 1003340145 /nfs/dbraw/zinc/34/01/45/1003340145.db2.gz STYNUXDYEHIAON-GOSISDBHSA-N 1 3 367.484 2.739 20 0 FFADHO Cc1ccc(F)cc1CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001417962 1016792677 /nfs/dbraw/zinc/79/26/77/1016792677.db2.gz KAHVLSBWCZJTEU-OXQOHEQNSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)cc1CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001417962 1016792692 /nfs/dbraw/zinc/79/26/92/1016792692.db2.gz KAHVLSBWCZJTEU-OXQOHEQNSA-N 1 3 361.505 2.803 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ccc4ncnn4c3)c3ccccc23)CC1 ZINC001170525148 1004596849 /nfs/dbraw/zinc/59/68/49/1004596849.db2.gz HPGIFXXSLUBILF-UHFFFAOYSA-N 1 3 360.465 2.639 20 0 FFADHO CCN(CC)CC(=O)N[C@@]12CC[C@@]([NH2+]Cc3scnc3C)(C1)CCC2 ZINC001273854572 1005126031 /nfs/dbraw/zinc/12/60/31/1005126031.db2.gz DZPPAYBDMDKREK-MOPGFXCFSA-N 1 3 364.559 2.845 20 0 FFADHO COC(=O)CCC[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001202219708 1005322794 /nfs/dbraw/zinc/32/27/94/1005322794.db2.gz LZXZQRMMEUFGLE-LJQANCHMSA-N 1 3 360.498 2.695 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1)N1CCCCC1 ZINC001488912114 1005376060 /nfs/dbraw/zinc/37/60/60/1005376060.db2.gz KSAJPFSCJQAODI-PKOBYXMFSA-N 1 3 358.530 2.721 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)CC[C@@H]2C1 ZINC001489207724 1005433009 /nfs/dbraw/zinc/43/30/09/1005433009.db2.gz YMIRSCGCEAXHLI-FGTMMUONSA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)CC[C@@H]2C1 ZINC001489207724 1005433012 /nfs/dbraw/zinc/43/30/12/1005433012.db2.gz YMIRSCGCEAXHLI-FGTMMUONSA-N 1 3 371.516 2.934 20 0 FFADHO Cn1c2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2oc1=O ZINC000850362993 1005811155 /nfs/dbraw/zinc/81/11/55/1005811155.db2.gz XRXLFPSOXMJKKE-UHFFFAOYSA-N 1 3 366.465 2.528 20 0 FFADHO Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc(Cl)n1 ZINC000851645901 1005902854 /nfs/dbraw/zinc/90/28/54/1005902854.db2.gz OVFXEXORAPMBTE-IRXDYDNUSA-N 1 3 374.872 2.733 20 0 FFADHO COc1ccc(CN2CC[C@@H](N3CCCC4(CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000852006983 1005932390 /nfs/dbraw/zinc/93/23/90/1005932390.db2.gz HMGLUQXCOAGTAJ-HXUWFJFHSA-N 1 3 371.525 2.604 20 0 FFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC001202486037 1005997060 /nfs/dbraw/zinc/99/70/60/1005997060.db2.gz BPXBGGBSYMSDGL-IRXDYDNUSA-N 1 3 350.528 2.840 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c(C)c1 ZINC001097085682 1017014686 /nfs/dbraw/zinc/01/46/86/1017014686.db2.gz LJNWSXZQGXJNKA-MBDNFAEBSA-N 1 3 367.537 2.867 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC(C)(C)CO3)CC2)CC1 ZINC000881511949 1006127752 /nfs/dbraw/zinc/12/77/52/1006127752.db2.gz NBEHKDVRFPJXTR-LJQANCHMSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001097101415 1017039846 /nfs/dbraw/zinc/03/98/46/1017039846.db2.gz OOFZVYZJRFAWBS-MLZLACJZSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001097101415 1017039859 /nfs/dbraw/zinc/03/98/59/1017039859.db2.gz OOFZVYZJRFAWBS-MLZLACJZSA-N 1 3 355.526 2.865 20 0 FFADHO CN(CCC(=O)N1CC[C@H]2CN(Cc3ccsc3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405643 1006566129 /nfs/dbraw/zinc/56/61/29/1006566129.db2.gz LJYZTMKQMMIXMF-PKOBYXMFSA-N 1 3 370.522 2.702 20 0 FFADHO O=c1oc2ccc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc2o1 ZINC000883085666 1006637698 /nfs/dbraw/zinc/63/76/98/1006637698.db2.gz WRKVQROMHNURPP-GOSISDBHSA-N 1 3 368.433 2.633 20 0 FFADHO O=c1oc2ccc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc2o1 ZINC000883085666 1006637703 /nfs/dbraw/zinc/63/77/03/1006637703.db2.gz WRKVQROMHNURPP-GOSISDBHSA-N 1 3 368.433 2.633 20 0 FFADHO Cn1cc(-c2ccnc(C3CC[NH+](CC[C@H]4CCCCN4C)CC3)n2)cn1 ZINC000854102412 1006681082 /nfs/dbraw/zinc/68/10/82/1006681082.db2.gz HYZFTGBSPYKOMH-LJQANCHMSA-N 1 3 368.529 2.931 20 0 FFADHO CCCCCCN(C)CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855201602 1007172763 /nfs/dbraw/zinc/17/27/63/1007172763.db2.gz GCBQEXYJVIKHBY-UHFFFAOYSA-N 1 3 353.551 2.506 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC001189660479 1007218918 /nfs/dbraw/zinc/21/89/18/1007218918.db2.gz RLAUHDKUTNPOPL-ZWKOTPCHSA-N 1 3 365.468 2.999 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC001189660479 1007218931 /nfs/dbraw/zinc/21/89/31/1007218931.db2.gz RLAUHDKUTNPOPL-ZWKOTPCHSA-N 1 3 365.468 2.999 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000855345507 1007293810 /nfs/dbraw/zinc/29/38/10/1007293810.db2.gz CELMZTQQYNLCDO-FEAKQIBJSA-N 1 3 366.575 2.842 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000855345507 1007293821 /nfs/dbraw/zinc/29/38/21/1007293821.db2.gz CELMZTQQYNLCDO-FEAKQIBJSA-N 1 3 366.575 2.842 20 0 FFADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000884208819 1007315998 /nfs/dbraw/zinc/31/59/98/1007315998.db2.gz KTIQDUBMKWKTKS-IBGZPJMESA-N 1 3 361.530 2.839 20 0 FFADHO Cc1csc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC001086786186 1007387710 /nfs/dbraw/zinc/38/77/10/1007387710.db2.gz NWZJHFWOKZCCPD-LUKYLMHMSA-N 1 3 364.559 2.556 20 0 FFADHO Cc1csc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC001086786186 1007387722 /nfs/dbraw/zinc/38/77/22/1007387722.db2.gz NWZJHFWOKZCCPD-LUKYLMHMSA-N 1 3 364.559 2.556 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)C1=O ZINC000817928863 1007798791 /nfs/dbraw/zinc/79/87/91/1007798791.db2.gz GIPBVXYXSQJWDY-RRMPHLOHSA-N 1 3 370.497 2.519 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000818958526 1007995200 /nfs/dbraw/zinc/99/52/00/1007995200.db2.gz PKLPZOQFUQFHSO-QFIPXVFZSA-N 1 3 371.500 2.786 20 0 FFADHO Cc1cc(F)ccc1[C@@H](O)CNCc1ccncc1OCCC[NH+](C)C ZINC000819317620 1008111457 /nfs/dbraw/zinc/11/14/57/1008111457.db2.gz YBZNOUWXGJGKJK-IBGZPJMESA-N 1 3 361.461 2.683 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H](CC[NH+](C)C)C3)cc2)CC1 ZINC001177526261 1008643502 /nfs/dbraw/zinc/64/35/02/1008643502.db2.gz GVJSKBKBEJCEDL-IBGZPJMESA-N 1 3 372.557 2.631 20 0 FFADHO O=C1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CN1C1CC1 ZINC000886633050 1008784395 /nfs/dbraw/zinc/78/43/95/1008784395.db2.gz MAMSVTRIOWPCFC-HUUJSLGLSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1O[C@H](CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000886634965 1008786178 /nfs/dbraw/zinc/78/61/78/1008786178.db2.gz RMGABULDNKEMRZ-QGZVKYPTSA-N 1 3 355.482 2.612 20 0 FFADHO O=C1O[C@H](CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000886634965 1008786189 /nfs/dbraw/zinc/78/61/89/1008786189.db2.gz RMGABULDNKEMRZ-QGZVKYPTSA-N 1 3 355.482 2.612 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C3(C4CC4)CCC3)cc2)CC1 ZINC000887143525 1009053522 /nfs/dbraw/zinc/05/35/22/1009053522.db2.gz DJWBLMNRDZOHNZ-UHFFFAOYSA-N 1 3 356.514 2.689 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001178708216 1009100529 /nfs/dbraw/zinc/10/05/29/1009100529.db2.gz DGYIALAGCBLBSR-VAMGGRTRSA-N 1 3 357.542 2.991 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001178708216 1009100537 /nfs/dbraw/zinc/10/05/37/1009100537.db2.gz DGYIALAGCBLBSR-VAMGGRTRSA-N 1 3 357.542 2.991 20 0 FFADHO CN(CC(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCCC1 ZINC001180628800 1009775098 /nfs/dbraw/zinc/77/50/98/1009775098.db2.gz AUKNRAJQPMJBGX-UHFFFAOYSA-N 1 3 357.542 2.932 20 0 FFADHO C[N@H+](CC(=O)NCCN1CCC(Cc2ccccc2)CC1)C1CCCC1 ZINC001180628800 1009775109 /nfs/dbraw/zinc/77/51/09/1009775109.db2.gz AUKNRAJQPMJBGX-UHFFFAOYSA-N 1 3 357.542 2.932 20 0 FFADHO C[N@@H+](CC(=O)NCCN1CCC(Cc2ccccc2)CC1)C1CCCC1 ZINC001180628800 1009775113 /nfs/dbraw/zinc/77/51/13/1009775113.db2.gz AUKNRAJQPMJBGX-UHFFFAOYSA-N 1 3 357.542 2.932 20 0 FFADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000777261593 1009858042 /nfs/dbraw/zinc/85/80/42/1009858042.db2.gz QLFHAVGCWNGOCY-VXKWHMMOSA-N 1 3 365.521 2.861 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1Cl ZINC001093672712 1010454627 /nfs/dbraw/zinc/45/46/27/1010454627.db2.gz BDOSYAQORIVSGV-SIIHOXLZSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CNCc1nccs1 ZINC001093770472 1010542717 /nfs/dbraw/zinc/54/27/17/1010542717.db2.gz RHXCWLSTBJTWMI-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001093823993 1010595554 /nfs/dbraw/zinc/59/55/54/1010595554.db2.gz BTYWCNWQFYDWCU-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(Cl)c2)[C@H](C)C1)N(C)C ZINC001093839447 1010610861 /nfs/dbraw/zinc/61/08/61/1010610861.db2.gz OVOYERIOWULFHY-KYJSFNMBSA-N 1 3 366.937 2.505 20 0 FFADHO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)sc1C ZINC001094020501 1010786156 /nfs/dbraw/zinc/78/61/56/1010786156.db2.gz GNILBHXLEFNLMB-MZMPZRCHSA-N 1 3 366.575 2.530 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2F)[C@H](C)C1)N(C)C ZINC001094020832 1010786628 /nfs/dbraw/zinc/78/66/28/1010786628.db2.gz GOKBOIDACULVTR-IDHHARJASA-N 1 3 367.484 2.735 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001094042128 1010803356 /nfs/dbraw/zinc/80/33/56/1010803356.db2.gz KILWKFGULAPKPL-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001094040766 1010803485 /nfs/dbraw/zinc/80/34/85/1010803485.db2.gz OICKOMMNHYESDK-KGVIQGDOSA-N 1 3 369.553 2.844 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)[C@H](C)C1)N(C)C ZINC001094049109 1010808739 /nfs/dbraw/zinc/80/87/39/1010808739.db2.gz HFBPPJNKUFUHDF-NFAWXSAZSA-N 1 3 357.951 2.926 20 0 FFADHO O=c1[nH]ccc2oc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc21 ZINC000865624041 1010829143 /nfs/dbraw/zinc/82/91/43/1010829143.db2.gz GUKBIJSUWBSNBV-UHFFFAOYSA-N 1 3 352.438 2.930 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC001094075185 1010834656 /nfs/dbraw/zinc/83/46/56/1010834656.db2.gz ZMTHHIPQADBCNV-VQIMIIECSA-N 1 3 362.477 2.990 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000866667178 1011034384 /nfs/dbraw/zinc/03/43/84/1011034384.db2.gz CZHYBDASHVJCSU-ZSXPUABSSA-N 1 3 373.541 2.955 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)Nc3ccc4c(c3)OCCNC4)CC2)CC1 ZINC000868173332 1011190323 /nfs/dbraw/zinc/19/03/23/1011190323.db2.gz URNCTHPCRKJTIT-UHFFFAOYSA-N 1 3 358.486 2.508 20 0 FFADHO C[C@@H](F)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857949 1011244432 /nfs/dbraw/zinc/24/44/32/1011244432.db2.gz XXVZOZUZWXFMEC-TVFCKZIOSA-N 1 3 353.526 2.968 20 0 FFADHO CCCN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCN(C)C1 ZINC000645163089 1011365405 /nfs/dbraw/zinc/36/54/05/1011365405.db2.gz HIQKQRRTVDYYSZ-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO Nc1nc(N2CCC(c3ncc4n3CCCC4)CC2)c2c([nH+]1)CCCC2 ZINC000645227903 1011391952 /nfs/dbraw/zinc/39/19/52/1011391952.db2.gz RPMMLAYJWMCEIC-UHFFFAOYSA-N 1 3 352.486 2.854 20 0 FFADHO CC(C)S(=O)(=O)N1CCC(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171626902 1011410425 /nfs/dbraw/zinc/41/04/25/1011410425.db2.gz GNPRZOSGOFCEPN-UHFFFAOYSA-N 1 3 373.607 2.678 20 0 FFADHO C[N@@H+]1CCCC2(CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)C1 ZINC001274385481 1011414558 /nfs/dbraw/zinc/41/45/58/1011414558.db2.gz UXUQDBCEGSTEFK-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO C[N@H+]1CCCC2(CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)C1 ZINC001274385481 1011414563 /nfs/dbraw/zinc/41/45/63/1011414563.db2.gz UXUQDBCEGSTEFK-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN([C@@H](C)CCc3ccc(C)cc3)CC[C@@H]2C1 ZINC001171669964 1011416588 /nfs/dbraw/zinc/41/65/88/1011416588.db2.gz CFDNVVWMVMSVNY-KSEOMHKRSA-N 1 3 360.542 2.985 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN([C@@H](C)CCc3ccc(C)cc3)CC[C@@H]2C1 ZINC001171669964 1011416596 /nfs/dbraw/zinc/41/65/96/1011416596.db2.gz CFDNVVWMVMSVNY-KSEOMHKRSA-N 1 3 360.542 2.985 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000645473040 1011495110 /nfs/dbraw/zinc/49/51/10/1011495110.db2.gz UEEFDLDNUMTZJQ-NRFANRHFSA-N 1 3 369.484 2.911 20 0 FFADHO O=C1CC[C@H]2C[C@H](N3CCC([N@@H+]4CCc5ccccc5C4)CC3)CCN12 ZINC001172178321 1011684569 /nfs/dbraw/zinc/68/45/69/1011684569.db2.gz DUYNNGGFQLIDLX-RTWAWAEBSA-N 1 3 353.510 2.663 20 0 FFADHO O=C1CC[C@H]2C[C@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)CCN12 ZINC001172178321 1011684579 /nfs/dbraw/zinc/68/45/79/1011684579.db2.gz DUYNNGGFQLIDLX-RTWAWAEBSA-N 1 3 353.510 2.663 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]([NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172202004 1011687843 /nfs/dbraw/zinc/68/78/43/1011687843.db2.gz QAXJFBNAWABZEL-XHSDSOJGSA-N 1 3 363.527 2.630 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001172251139 1011722862 /nfs/dbraw/zinc/72/28/62/1011722862.db2.gz BRTMVXFXVYPQJM-GDBMZVCRSA-N 1 3 352.441 2.513 20 0 FFADHO COCCCN1CCC([N@@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172252525 1011728125 /nfs/dbraw/zinc/72/81/25/1011728125.db2.gz OUZGOJOYMMBJDD-KRWDZBQOSA-N 1 3 369.550 2.819 20 0 FFADHO COCCCN1CCC([N@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172252525 1011728138 /nfs/dbraw/zinc/72/81/38/1011728138.db2.gz OUZGOJOYMMBJDD-KRWDZBQOSA-N 1 3 369.550 2.819 20 0 FFADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000646279245 1011830828 /nfs/dbraw/zinc/83/08/28/1011830828.db2.gz ZMBWNKWJESBFFJ-FQEVSTJZSA-N 1 3 353.466 2.843 20 0 FFADHO C[NH+](C)CCN1c2ccccc2C2(CCN(Cc3ccco3)CC2)C1=O ZINC001275189769 1012048421 /nfs/dbraw/zinc/04/84/21/1012048421.db2.gz DXGWSNMFDPMUIP-UHFFFAOYSA-N 1 3 353.466 2.722 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1)N(C)C ZINC001275223114 1012101438 /nfs/dbraw/zinc/10/14/38/1012101438.db2.gz ZFLPTJIWKNZLQJ-LJQANCHMSA-N 1 3 360.546 2.806 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1)N(C)C ZINC001275223114 1012101449 /nfs/dbraw/zinc/10/14/49/1012101449.db2.gz ZFLPTJIWKNZLQJ-LJQANCHMSA-N 1 3 360.546 2.806 20 0 FFADHO C[NH+](C)CCn1ncc(-c2nc([C@H]3CCCN3)no2)c1-c1ccccc1 ZINC000647144743 1012390482 /nfs/dbraw/zinc/39/04/82/1012390482.db2.gz FJQOENLHARITCH-MRXNPFEDSA-N 1 3 352.442 2.586 20 0 FFADHO [NH3+]Cc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000828217931 1032626903 /nfs/dbraw/zinc/62/69/03/1032626903.db2.gz QQLPQNROZDAQIX-UHFFFAOYSA-N 1 3 351.494 2.926 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3cccc4[nH]cc(Cl)c43)C2)C1=O ZINC001275423554 1012445864 /nfs/dbraw/zinc/44/58/64/1012445864.db2.gz OVRNOILDVRDTGC-HXUWFJFHSA-N 1 3 374.916 2.807 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3cccc4[nH]cc(Cl)c43)C2)C1=O ZINC001275423554 1012445873 /nfs/dbraw/zinc/44/58/73/1012445873.db2.gz OVRNOILDVRDTGC-HXUWFJFHSA-N 1 3 374.916 2.807 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CC[C@@H](NC(C)(C)C[NH3+])C[C@@H]1C(=O)OC(C)(C)C ZINC001173370629 1012514058 /nfs/dbraw/zinc/51/40/58/1012514058.db2.gz ZTJGNYXNBZHWCV-KFWWJZLASA-N 1 3 370.534 2.782 20 0 FFADHO C[C@@H](CN)C[N@H+](C)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173389344 1012524044 /nfs/dbraw/zinc/52/40/44/1012524044.db2.gz JMZIHXUPWCYVLO-ZDUSSCGKSA-N 1 3 368.319 2.580 20 0 FFADHO C[C@@H](CN)C[N@@H+](C)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173389344 1012524054 /nfs/dbraw/zinc/52/40/54/1012524054.db2.gz JMZIHXUPWCYVLO-ZDUSSCGKSA-N 1 3 368.319 2.580 20 0 FFADHO C[NH+](C)CCN1c2ccccc2C2(CCN(Cc3ccoc3)CC2)C1=O ZINC001275669284 1012808788 /nfs/dbraw/zinc/80/87/88/1012808788.db2.gz DRQVQJCWAGNRSS-UHFFFAOYSA-N 1 3 353.466 2.722 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000678334603 1017085680 /nfs/dbraw/zinc/08/56/80/1017085680.db2.gz VMLFACKIXPXDOK-UXHICEINSA-N 1 3 362.539 2.868 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001097430665 1017480954 /nfs/dbraw/zinc/48/09/54/1017480954.db2.gz NQOHELLLNHMGKD-NJYVYQBISA-N 1 3 367.537 2.969 20 0 FFADHO COc1cc([C@@H](C)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)on1 ZINC000924979207 1017570502 /nfs/dbraw/zinc/57/05/02/1017570502.db2.gz MQPDNOKSTMHDSC-QAPCUYQASA-N 1 3 359.470 2.779 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCCCO1)N1CCCC1 ZINC001097639034 1017740119 /nfs/dbraw/zinc/74/01/19/1017740119.db2.gz MKJIXKHSVGZTQF-MKXGPGLRSA-N 1 3 363.546 2.542 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCCCO1)N1CCCC1 ZINC001097639034 1017740130 /nfs/dbraw/zinc/74/01/30/1017740130.db2.gz MKJIXKHSVGZTQF-MKXGPGLRSA-N 1 3 363.546 2.542 20 0 FFADHO c1ccc(CN2CCOCC2)c(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925512921 1017772999 /nfs/dbraw/zinc/77/29/99/1017772999.db2.gz GRJQQFVSIYNNMH-VXKWHMMOSA-N 1 3 357.542 2.777 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000925541820 1017780300 /nfs/dbraw/zinc/78/03/00/1017780300.db2.gz KFFFDIDBSXTOFO-JOUKPKRSSA-N 1 3 370.522 2.679 20 0 FFADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925552357 1017782340 /nfs/dbraw/zinc/78/23/40/1017782340.db2.gz JVJZTAQHQFANCS-BDTNDASRSA-N 1 3 369.553 2.978 20 0 FFADHO C[C@@H]1[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)CCN1Cc1ccccc1 ZINC000925558550 1017785950 /nfs/dbraw/zinc/78/59/50/1017785950.db2.gz SXLUMTQWHFRINE-BRKWEVRTSA-N 1 3 357.542 2.617 20 0 FFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925699126 1017820529 /nfs/dbraw/zinc/82/05/29/1017820529.db2.gz URHHTFPYJMXPFU-QEUVDIPISA-N 1 3 360.546 2.872 20 0 FFADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OC(F)(F)F ZINC000925856597 1017877560 /nfs/dbraw/zinc/87/75/60/1017877560.db2.gz SODFQQXJZFYCBB-STQMWFEESA-N 1 3 372.387 2.921 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000680946641 1018274627 /nfs/dbraw/zinc/27/46/27/1018274627.db2.gz SCRVHEYNAOHYRM-DFQSSKMNSA-N 1 3 358.530 2.679 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)cc1CN1CCCCC1 ZINC000927134182 1018378704 /nfs/dbraw/zinc/37/87/04/1018378704.db2.gz HKESSFYUTJAJJZ-JXFKEZNVSA-N 1 3 372.513 2.799 20 0 FFADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccnn1CCN(C)C ZINC000901134569 1018762933 /nfs/dbraw/zinc/76/29/33/1018762933.db2.gz ROPXRWZVAWQCIZ-UHFFFAOYSA-N 1 3 355.486 2.601 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4cncc(C)c4)C3)C2)CC[N@@H+]1C ZINC001041302280 1018775331 /nfs/dbraw/zinc/77/53/31/1018775331.db2.gz VQPOBCZMXRJEEY-TUNNFDKTSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4cncc(C)c4)C3)C2)CC[N@H+]1C ZINC001041302280 1018775346 /nfs/dbraw/zinc/77/53/46/1018775346.db2.gz VQPOBCZMXRJEEY-TUNNFDKTSA-N 1 3 370.541 2.545 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1CCCc1ccc(OC)cc1)CC[NH2+]CC2 ZINC001222216094 1032826357 /nfs/dbraw/zinc/82/63/57/1032826357.db2.gz VYIKBVILQZNASD-IBGZPJMESA-N 1 3 360.498 2.635 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001045044313 1019797310 /nfs/dbraw/zinc/79/73/10/1019797310.db2.gz BEFWGHGWHJKBQR-TXPKVOOTSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001045044313 1019797325 /nfs/dbraw/zinc/79/73/25/1019797325.db2.gz BEFWGHGWHJKBQR-TXPKVOOTSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001045044718 1019798317 /nfs/dbraw/zinc/79/83/17/1019798317.db2.gz SPKUGPCZTUUODQ-GBESFXJTSA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001045044718 1019798334 /nfs/dbraw/zinc/79/83/34/1019798334.db2.gz SPKUGPCZTUUODQ-GBESFXJTSA-N 1 3 365.468 2.776 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(CO[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]32)O1 ZINC001217809469 1032877849 /nfs/dbraw/zinc/87/78/49/1032877849.db2.gz RMWNITLLJGBUMC-XWUOBKMESA-N 1 3 374.525 2.592 20 0 FFADHO [NH3+]CCCC[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)cc1F ZINC000902370494 1020137690 /nfs/dbraw/zinc/13/76/90/1020137690.db2.gz NXUAXBCXWGYEAT-MAUKXSAKSA-N 1 3 370.440 2.647 20 0 FFADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CCCC2)CC1)N(C)C ZINC001071065310 1020170572 /nfs/dbraw/zinc/17/05/72/1020170572.db2.gz NEJBXJQMIJWVJP-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)C1 ZINC001098219896 1020741373 /nfs/dbraw/zinc/74/13/73/1020741373.db2.gz WXGFUJNOTITAQT-MKXGPGLRSA-N 1 3 361.555 2.744 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)C1 ZINC001098219896 1020741379 /nfs/dbraw/zinc/74/13/79/1020741379.db2.gz WXGFUJNOTITAQT-MKXGPGLRSA-N 1 3 361.555 2.744 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1 ZINC001098219972 1020742056 /nfs/dbraw/zinc/74/20/56/1020742056.db2.gz ZTVHCESEJXGTJT-NCYKPQTJSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001098219972 1020742064 /nfs/dbraw/zinc/74/20/64/1020742064.db2.gz ZTVHCESEJXGTJT-NCYKPQTJSA-N 1 3 355.526 2.812 20 0 FFADHO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@H]1C ZINC000934165946 1021155301 /nfs/dbraw/zinc/15/53/01/1021155301.db2.gz JGVNLPXLJXUYNY-FUMNGEBKSA-N 1 3 367.578 2.701 20 0 FFADHO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@H]1C ZINC000934165946 1021155305 /nfs/dbraw/zinc/15/53/05/1021155305.db2.gz JGVNLPXLJXUYNY-FUMNGEBKSA-N 1 3 367.578 2.701 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001111097446 1021746220 /nfs/dbraw/zinc/74/62/20/1021746220.db2.gz YWWWYJCPZDPELU-WTGUMLROSA-N 1 3 365.562 2.789 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001111097446 1021746237 /nfs/dbraw/zinc/74/62/37/1021746237.db2.gz YWWWYJCPZDPELU-WTGUMLROSA-N 1 3 365.562 2.789 20 0 FFADHO C[NH+](C)CC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000145639043 1021938601 /nfs/dbraw/zinc/93/86/01/1021938601.db2.gz ZDGCNMJHMFBLGN-UHFFFAOYSA-N 1 3 374.598 2.799 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(Cc2cccc(F)c2)CC3)CC[N@@H+]1C ZINC001016632237 1022062789 /nfs/dbraw/zinc/06/27/89/1022062789.db2.gz PAILLYZUEQHGPE-ATZDWAIDSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(Cc2cccc(F)c2)CC3)CC[N@H+]1C ZINC001016632237 1022062806 /nfs/dbraw/zinc/06/28/06/1022062806.db2.gz PAILLYZUEQHGPE-ATZDWAIDSA-N 1 3 359.489 2.637 20 0 FFADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)CC1 ZINC001222520859 1033027057 /nfs/dbraw/zinc/02/70/57/1033027057.db2.gz LYJVTDNQJKSMFR-DENIHFKCSA-N 1 3 357.542 2.871 20 0 FFADHO CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)CC1 ZINC001222520859 1033027065 /nfs/dbraw/zinc/02/70/65/1033027065.db2.gz LYJVTDNQJKSMFR-DENIHFKCSA-N 1 3 357.542 2.871 20 0 FFADHO COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCCCC2)N2CCCC2)cc1 ZINC001118286603 1022160636 /nfs/dbraw/zinc/16/06/36/1022160636.db2.gz HBDTYQXVEJRZNV-WOJBJXKFSA-N 1 3 359.514 2.856 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc4ccccc4o3)C2)CC[N@@H+]1C ZINC001018870009 1022359070 /nfs/dbraw/zinc/35/90/70/1022359070.db2.gz FYLPGBAOYGCJJQ-YTQUADARSA-N 1 3 355.482 2.854 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc4ccccc4o3)C2)CC[N@H+]1C ZINC001018870009 1022359088 /nfs/dbraw/zinc/35/90/88/1022359088.db2.gz FYLPGBAOYGCJJQ-YTQUADARSA-N 1 3 355.482 2.854 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1)N(C)C ZINC001019033253 1022379763 /nfs/dbraw/zinc/37/97/63/1022379763.db2.gz GNTPUEFTUXVBLX-FJIDUMEYSA-N 1 3 365.468 2.566 20 0 FFADHO Cc1ncccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001099497402 1022633605 /nfs/dbraw/zinc/63/36/05/1022633605.db2.gz ZDFRHUONSQXKNK-XJABCFGWSA-N 1 3 370.541 2.593 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC001119969339 1023187303 /nfs/dbraw/zinc/18/73/03/1023187303.db2.gz BFRRYYJMCXYOCJ-TZIWHRDSSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC001119969339 1023187309 /nfs/dbraw/zinc/18/73/09/1023187309.db2.gz BFRRYYJMCXYOCJ-TZIWHRDSSA-N 1 3 358.530 2.634 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)c1 ZINC001119970658 1023188394 /nfs/dbraw/zinc/18/83/94/1023188394.db2.gz HBWXOQMCNNCLNV-HXUWFJFHSA-N 1 3 359.514 2.649 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)c1 ZINC001119970658 1023188400 /nfs/dbraw/zinc/18/84/00/1023188400.db2.gz HBWXOQMCNNCLNV-HXUWFJFHSA-N 1 3 359.514 2.649 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)N(C)C)cc1 ZINC001120535482 1023353074 /nfs/dbraw/zinc/35/30/74/1023353074.db2.gz DYHMPFIEVCOUSO-PKOBYXMFSA-N 1 3 362.543 2.549 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC/C(Cl)=C\Cl)C3)C2)CC[N@@H+]1C ZINC001121134009 1023619508 /nfs/dbraw/zinc/61/95/08/1023619508.db2.gz OEAWGXLAPSBIOW-FACKMQLJSA-N 1 3 360.329 2.663 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC/C(Cl)=C\Cl)C3)C2)CC[N@H+]1C ZINC001121134009 1023619514 /nfs/dbraw/zinc/61/95/14/1023619514.db2.gz OEAWGXLAPSBIOW-FACKMQLJSA-N 1 3 360.329 2.663 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000757291847 1023815409 /nfs/dbraw/zinc/81/54/09/1023815409.db2.gz TVPAYTXHBUFYOJ-OAQYLSRUSA-N 1 3 374.573 2.780 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000757291847 1023815416 /nfs/dbraw/zinc/81/54/16/1023815416.db2.gz TVPAYTXHBUFYOJ-OAQYLSRUSA-N 1 3 374.573 2.780 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc2c1OCCNC2 ZINC001121903330 1024153387 /nfs/dbraw/zinc/15/33/87/1024153387.db2.gz FXHBTBWRXYLXQT-UHFFFAOYSA-N 1 3 365.477 2.694 20 0 FFADHO [NH3+]CC[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c2ccccc21 ZINC001122108762 1024342846 /nfs/dbraw/zinc/34/28/46/1024342846.db2.gz HREAGURHESVKNB-RBUKOAKNSA-N 1 3 364.493 2.773 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nc(F)cc(C(F)(F)F)c1F ZINC001218543876 1033213177 /nfs/dbraw/zinc/21/31/77/1033213177.db2.gz UWBLALCJTOEORY-JTQLQIEISA-N 1 3 368.350 2.813 20 0 FFADHO CN(C)c1ccncc1NC(=O)CC1(c2ccccc2F)CC[NH2+]CC1 ZINC001218563995 1033221553 /nfs/dbraw/zinc/22/15/53/1033221553.db2.gz WAFGLDOASOBRTC-UHFFFAOYSA-N 1 3 356.445 2.937 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101400362 1024637236 /nfs/dbraw/zinc/63/72/36/1024637236.db2.gz SQNJRYYSSCZTJM-SCTDSRPQSA-N 1 3 371.516 2.934 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101400362 1024637243 /nfs/dbraw/zinc/63/72/43/1024637243.db2.gz SQNJRYYSSCZTJM-SCTDSRPQSA-N 1 3 371.516 2.934 20 0 FFADHO C[C@@]12CN(Cc3ccccn3)C[C@@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001101464590 1024806879 /nfs/dbraw/zinc/80/68/79/1024806879.db2.gz OSHCIWAOKPFQHK-KNQAVFIVSA-N 1 3 370.541 2.628 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001111417081 1025330056 /nfs/dbraw/zinc/33/00/56/1025330056.db2.gz XWEJAGROAWGNQZ-WTGUMLROSA-N 1 3 363.546 2.543 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001102044894 1025348295 /nfs/dbraw/zinc/34/82/95/1025348295.db2.gz JXPUSSTZFKFYRJ-ZACQAIPSSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001102044894 1025348308 /nfs/dbraw/zinc/34/83/08/1025348308.db2.gz JXPUSSTZFKFYRJ-ZACQAIPSSA-N 1 3 364.559 2.590 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045925 1025351665 /nfs/dbraw/zinc/35/16/65/1025351665.db2.gz CNALXNSFZIUWCR-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102045925 1025351677 /nfs/dbraw/zinc/35/16/77/1025351677.db2.gz CNALXNSFZIUWCR-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048454 1025356237 /nfs/dbraw/zinc/35/62/37/1025356237.db2.gz CHDQDFRDMLYLLH-OLMNPRSZSA-N 1 3 371.516 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048454 1025356249 /nfs/dbraw/zinc/35/62/49/1025356249.db2.gz CHDQDFRDMLYLLH-OLMNPRSZSA-N 1 3 371.516 2.836 20 0 FFADHO C[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048917 1025358257 /nfs/dbraw/zinc/35/82/57/1025358257.db2.gz VAIPZJSWINGWSG-BMFZPTHFSA-N 1 3 363.468 2.743 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048917 1025358271 /nfs/dbraw/zinc/35/82/71/1025358271.db2.gz VAIPZJSWINGWSG-BMFZPTHFSA-N 1 3 363.468 2.743 20 0 FFADHO Cc1cc(CN)oc1C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638063354 1025688107 /nfs/dbraw/zinc/68/81/07/1025688107.db2.gz LXDPNZICNXAFOT-IYBDPMFKSA-N 1 3 371.481 2.586 20 0 FFADHO Cc1cc(CN)oc1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638063354 1025688113 /nfs/dbraw/zinc/68/81/13/1025688113.db2.gz LXDPNZICNXAFOT-IYBDPMFKSA-N 1 3 371.481 2.586 20 0 FFADHO c1cnn(C2CC([NH2+]CCCCN3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000638380091 1025813224 /nfs/dbraw/zinc/81/32/24/1025813224.db2.gz AZVLRNYBGVRSJM-UHFFFAOYSA-N 1 3 367.541 2.774 20 0 FFADHO OC1CCN(CCC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638411683 1025830186 /nfs/dbraw/zinc/83/01/86/1025830186.db2.gz KPMPWXZYELPAQV-UGKGYDQZSA-N 1 3 357.542 2.791 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375715 1025841024 /nfs/dbraw/zinc/84/10/24/1025841024.db2.gz YCNJTSNURPXSDY-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375715 1025841033 /nfs/dbraw/zinc/84/10/33/1025841033.db2.gz YCNJTSNURPXSDY-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C)N(C)C ZINC001102376919 1025846268 /nfs/dbraw/zinc/84/62/68/1025846268.db2.gz CUFYIZZGFOENKL-HBGVWJBISA-N 1 3 357.542 2.700 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C)N(C)C ZINC001102376919 1025846283 /nfs/dbraw/zinc/84/62/83/1025846283.db2.gz CUFYIZZGFOENKL-HBGVWJBISA-N 1 3 357.542 2.700 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377124 1025851112 /nfs/dbraw/zinc/85/11/12/1025851112.db2.gz PDRRMOOSFMSOTN-GDBMZVCRSA-N 1 3 359.505 2.694 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102377124 1025851129 /nfs/dbraw/zinc/85/11/29/1025851129.db2.gz PDRRMOOSFMSOTN-GDBMZVCRSA-N 1 3 359.505 2.694 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC001102475336 1026054868 /nfs/dbraw/zinc/05/48/68/1026054868.db2.gz JDUILHHAMVMEEA-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC001102475336 1026054884 /nfs/dbraw/zinc/05/48/84/1026054884.db2.gz JDUILHHAMVMEEA-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102475422 1026057268 /nfs/dbraw/zinc/05/72/68/1026057268.db2.gz NQYBYGFRQGNZIY-RBSFLKMASA-N 1 3 364.361 2.596 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102475422 1026057284 /nfs/dbraw/zinc/05/72/84/1026057284.db2.gz NQYBYGFRQGNZIY-RBSFLKMASA-N 1 3 364.361 2.596 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1C ZINC001102525072 1026213383 /nfs/dbraw/zinc/21/33/83/1026213383.db2.gz KDIAHRLZIAZECB-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1C ZINC001102525072 1026213392 /nfs/dbraw/zinc/21/33/92/1026213392.db2.gz KDIAHRLZIAZECB-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102531735 1026243524 /nfs/dbraw/zinc/24/35/24/1026243524.db2.gz CKQYCPPZBRJXKH-FOIQADDNSA-N 1 3 366.509 2.634 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102531735 1026243531 /nfs/dbraw/zinc/24/35/31/1026243531.db2.gz CKQYCPPZBRJXKH-FOIQADDNSA-N 1 3 366.509 2.634 20 0 FFADHO O[C@]1(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639542929 1026360616 /nfs/dbraw/zinc/36/06/16/1026360616.db2.gz ABAJZXQLLQCWIS-PUHATCMVSA-N 1 3 369.553 2.572 20 0 FFADHO O[C@]1(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000639542929 1026360625 /nfs/dbraw/zinc/36/06/25/1026360625.db2.gz ABAJZXQLLQCWIS-PUHATCMVSA-N 1 3 369.553 2.572 20 0 FFADHO COc1ncc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c2ccccc21 ZINC000639553785 1026365295 /nfs/dbraw/zinc/36/52/95/1026365295.db2.gz PQZBRWASQAWECH-UWJYYQICSA-N 1 3 368.525 2.701 20 0 FFADHO COc1ncc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c2ccccc21 ZINC000639553785 1026365303 /nfs/dbraw/zinc/36/53/03/1026365303.db2.gz PQZBRWASQAWECH-UWJYYQICSA-N 1 3 368.525 2.701 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC001102601192 1026401479 /nfs/dbraw/zinc/40/14/79/1026401479.db2.gz PXDLJGBTAFVDCF-YLJYHZDGSA-N 1 3 368.525 2.759 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC001102601192 1026401486 /nfs/dbraw/zinc/40/14/86/1026401486.db2.gz PXDLJGBTAFVDCF-YLJYHZDGSA-N 1 3 368.525 2.759 20 0 FFADHO CN1CCC(N(c2ccc(-c3ccccc3)nn2)C2CC[NH2+]CC2)CC1 ZINC001158575085 1027064228 /nfs/dbraw/zinc/06/42/28/1027064228.db2.gz JELHRFVYSOUWQU-UHFFFAOYSA-N 1 3 351.498 2.796 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000641990225 1027378952 /nfs/dbraw/zinc/37/89/52/1027378952.db2.gz XWHWBWYFBYTJTP-FQEVSTJZSA-N 1 3 358.530 2.745 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434211 1027475349 /nfs/dbraw/zinc/47/53/49/1027475349.db2.gz UIVGKRWGPUBZDP-ZIFCJYIRSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434211 1027475360 /nfs/dbraw/zinc/47/53/60/1027475360.db2.gz UIVGKRWGPUBZDP-ZIFCJYIRSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103438311 1027484115 /nfs/dbraw/zinc/48/41/15/1027484115.db2.gz ANXRJOIANGEWJU-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103438311 1027484127 /nfs/dbraw/zinc/48/41/27/1027484127.db2.gz ANXRJOIANGEWJU-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438301 1027486122 /nfs/dbraw/zinc/48/61/22/1027486122.db2.gz ACRSRAHDQWQLKZ-IEBWSBKVSA-N 1 3 360.546 2.634 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438301 1027486126 /nfs/dbraw/zinc/48/61/26/1027486126.db2.gz ACRSRAHDQWQLKZ-IEBWSBKVSA-N 1 3 360.546 2.634 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3nn(C)c4ccccc34)CC2)CC1 ZINC000643296025 1027913514 /nfs/dbraw/zinc/91/35/14/1027913514.db2.gz LSPVAMNJCUSEJA-UHFFFAOYSA-N 1 3 355.530 2.565 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C ZINC001103663590 1027922183 /nfs/dbraw/zinc/92/21/83/1027922183.db2.gz IVRXCPKYEYERDB-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C ZINC001103663590 1027922187 /nfs/dbraw/zinc/92/21/87/1027922187.db2.gz IVRXCPKYEYERDB-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000643354011 1027941351 /nfs/dbraw/zinc/94/13/51/1027941351.db2.gz PHQWPZXLXQTENA-QGZVFWFLSA-N 1 3 371.456 2.661 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC001160955775 1027943386 /nfs/dbraw/zinc/94/33/86/1027943386.db2.gz HCMSPUWIINVTKG-ICSRJNTNSA-N 1 3 361.530 2.739 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC001160955866 1027945128 /nfs/dbraw/zinc/94/51/28/1027945128.db2.gz ISJNOIQLRMHMEB-WIYYLYMNSA-N 1 3 359.514 2.508 20 0 FFADHO CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H](N)c3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001161174697 1028050546 /nfs/dbraw/zinc/05/05/46/1028050546.db2.gz CPDOLQQDRYHXNR-BFYDXBDKSA-N 1 3 369.431 2.896 20 0 FFADHO CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001161228509 1028079390 /nfs/dbraw/zinc/07/93/90/1028079390.db2.gz XFHLDBIAOPQXMN-RBUKOAKNSA-N 1 3 361.530 2.992 20 0 FFADHO Cc1ccc(CN(C(=O)C[C@H]2CCNC[C@@H]2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161400658 1028158991 /nfs/dbraw/zinc/15/89/91/1028158991.db2.gz NMOWCAQBTVSAPV-WTGUMLROSA-N 1 3 361.505 2.931 20 0 FFADHO N[C@@H](C(=O)N1CCC(c2csc3ccccc32)CC1)C1CC[NH2+]CC1 ZINC001161450627 1028181889 /nfs/dbraw/zinc/18/18/89/1028181889.db2.gz GZJOUGLLRZNTJI-LJQANCHMSA-N 1 3 357.523 2.934 20 0 FFADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161453375 1028184582 /nfs/dbraw/zinc/18/45/82/1028184582.db2.gz FNCHTYFKVXZHOJ-HZPDHXFCSA-N 1 3 367.415 2.568 20 0 FFADHO C[NH+]1CCC(N(C(=O)[C@H]2NCCC[C@H]2C(F)(F)F)C2CCCC2)CC1 ZINC001161454202 1028184634 /nfs/dbraw/zinc/18/46/34/1028184634.db2.gz TVWHCKBHECJJQJ-CVEARBPZSA-N 1 3 361.452 2.782 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC000644161011 1028347891 /nfs/dbraw/zinc/34/78/91/1028347891.db2.gz XYRUPTYOTAJTBY-RBBKRZOGSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC000644161011 1028347906 /nfs/dbraw/zinc/34/79/06/1028347906.db2.gz XYRUPTYOTAJTBY-RBBKRZOGSA-N 1 3 370.541 2.951 20 0 FFADHO CN(C)[C@H](CNC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525433 1028521657 /nfs/dbraw/zinc/52/16/57/1028521657.db2.gz LQIBPPFIFOIIBH-LEWJYISDSA-N 1 3 359.489 2.511 20 0 FFADHO CN(C)[C@H](CNC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525433 1028521666 /nfs/dbraw/zinc/52/16/66/1028521666.db2.gz LQIBPPFIFOIIBH-LEWJYISDSA-N 1 3 359.489 2.511 20 0 FFADHO CN(C)[C@H](C[NH2+]C[C@H](O)CN(C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525433 1028521674 /nfs/dbraw/zinc/52/16/74/1028521674.db2.gz LQIBPPFIFOIIBH-LEWJYISDSA-N 1 3 359.489 2.511 20 0 FFADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(NCc2nnn3c2CNCCC3)nc1 ZINC001155399538 1028721288 /nfs/dbraw/zinc/72/12/88/1028721288.db2.gz AAQVZDXBUWGANH-SFHVURJKSA-N 1 3 369.517 2.716 20 0 FFADHO CCC[N@H+]1CCCC[C@H]1c1ccc(NCc2nnn3c2CNCCC3)nc1 ZINC001155399538 1028721305 /nfs/dbraw/zinc/72/13/05/1028721305.db2.gz AAQVZDXBUWGANH-SFHVURJKSA-N 1 3 369.517 2.716 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(COC)nc(-c2ccccc2)n1 ZINC001163122639 1028808933 /nfs/dbraw/zinc/80/89/33/1028808933.db2.gz OLQLCMHICZOTOU-UHFFFAOYSA-N 1 3 356.474 2.568 20 0 FFADHO c1nc2cc(NCc3noc4c3CNCC4)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001163131829 1028817109 /nfs/dbraw/zinc/81/71/09/1028817109.db2.gz MSCSKQJFGOAXMD-HNNXBMFYSA-N 1 3 366.469 2.597 20 0 FFADHO COc1cc2cccnc2c(N(c2cc(CN)ncn2)[C@H](C)CCC[NH3+])c1 ZINC001156751127 1029332859 /nfs/dbraw/zinc/33/28/59/1029332859.db2.gz ZSWYHZGZMPLZIL-CQSZACIVSA-N 1 3 366.469 2.758 20 0 FFADHO CN(CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)CC(C)(C)C ZINC001157453309 1029589709 /nfs/dbraw/zinc/58/97/09/1029589709.db2.gz UADCDNWNSUGKFT-UHFFFAOYSA-N 1 3 361.530 2.754 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccnc(-c4ccccc4)n3)CC2)CC1 ZINC001157837263 1029672741 /nfs/dbraw/zinc/67/27/41/1029672741.db2.gz QYCPJLIDERKVLU-UHFFFAOYSA-N 1 3 351.498 2.607 20 0 FFADHO CSc1nc2ccccc2c(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157838451 1029672941 /nfs/dbraw/zinc/67/29/41/1029672941.db2.gz YHVBXHNXFXQYNM-UHFFFAOYSA-N 1 3 371.554 2.816 20 0 FFADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158027905 1029711338 /nfs/dbraw/zinc/71/13/38/1029711338.db2.gz IJABBSBQKLGSOT-HLLBOEOZSA-N 1 3 361.452 2.689 20 0 FFADHO N[C@H](CC(=O)N1CCC2(CC([NH3+])C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001158083196 1029730349 /nfs/dbraw/zinc/73/03/49/1029730349.db2.gz YHBQQOPEGKTPMD-OAHLLOKOSA-N 1 3 355.404 2.825 20 0 FFADHO O=C([C@H]1CCC[C@H](c2ccccc2)N1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335308 1029800545 /nfs/dbraw/zinc/80/05/45/1029800545.db2.gz RGLKLXTXZNSUNB-DXBBTUNJSA-N 1 3 361.489 2.968 20 0 FFADHO N[C@@H](Cc1cccc2ccccc21)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158334944 1029800810 /nfs/dbraw/zinc/80/08/10/1029800810.db2.gz JQPMYKOHZZAHKJ-RJGXRXQPSA-N 1 3 371.484 2.807 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=S)NCC2CC[NH+](C)CC2)C1 ZINC000840810745 1029886663 /nfs/dbraw/zinc/88/66/63/1029886663.db2.gz WBEOGDAVTLLJDJ-SFHVURJKSA-N 1 3 374.598 2.657 20 0 FFADHO FC(F)(F)[C@H]1N(c2cc(Cl)nc3c2CCNC3)CCC12CC[NH2+]CC2 ZINC001165268873 1029923788 /nfs/dbraw/zinc/92/37/88/1029923788.db2.gz FGYKBYVABSFEDI-HNNXBMFYSA-N 1 3 374.838 2.892 20 0 FFADHO Cc1cccc(N(c2ncc(C)cc2CN)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165779427 1030122234 /nfs/dbraw/zinc/12/22/34/1030122234.db2.gz VOOXSWAYJFWWME-CTNGQTDRSA-N 1 3 352.482 2.816 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001112212076 1030253610 /nfs/dbraw/zinc/25/36/10/1030253610.db2.gz LEBQRFVFYYXDTP-HZPDHXFCSA-N 1 3 363.468 2.886 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)N(C)C)cc1 ZINC000841636033 1030380467 /nfs/dbraw/zinc/38/04/67/1030380467.db2.gz JKQHFONWLAICEL-OAQYLSRUSA-N 1 3 368.525 2.852 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841855958 1030505690 /nfs/dbraw/zinc/50/56/90/1030505690.db2.gz SLMDIVLUXNYPDH-GZNCHQMQSA-N 1 3 370.541 2.970 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCCCF)C2)CCC1 ZINC001112397151 1030740765 /nfs/dbraw/zinc/74/07/65/1030740765.db2.gz UYKLYHLDHZOWKB-HKUYNNGSSA-N 1 3 353.526 2.829 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000796797867 1030920423 /nfs/dbraw/zinc/92/04/23/1030920423.db2.gz JDHYPYMOCHQFGZ-JCECYMMASA-N 1 3 369.550 2.767 20 0 FFADHO CCOc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc1OC ZINC001204194146 1031154623 /nfs/dbraw/zinc/15/46/23/1031154623.db2.gz XJCSSAYEYBXQJV-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(OC(F)(F)F)cc1 ZINC001204417618 1031279136 /nfs/dbraw/zinc/27/91/36/1031279136.db2.gz ZRTFPUKDBAWDJE-DLBZAZTESA-N 1 3 357.420 2.795 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(OC(F)(F)F)cc1 ZINC001204417618 1031279148 /nfs/dbraw/zinc/27/91/48/1031279148.db2.gz ZRTFPUKDBAWDJE-DLBZAZTESA-N 1 3 357.420 2.795 20 0 FFADHO C[C@@]1(CNC(=O)NCCN2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798351684 1031369646 /nfs/dbraw/zinc/36/96/46/1031369646.db2.gz YUFJGKPNXUZFIR-NRFANRHFSA-N 1 3 358.530 2.684 20 0 FFADHO C[C@@]1(CNC(=O)NCCN2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798351684 1031369657 /nfs/dbraw/zinc/36/96/57/1031369657.db2.gz YUFJGKPNXUZFIR-NRFANRHFSA-N 1 3 358.530 2.684 20 0 FFADHO CCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cccc(F)c1 ZINC001205439602 1031745434 /nfs/dbraw/zinc/74/54/34/1031745434.db2.gz BZGBGCIJTHNLQE-RBUKOAKNSA-N 1 3 358.461 2.866 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCC2CC2)C1 ZINC001205686014 1031934031 /nfs/dbraw/zinc/93/40/31/1031934031.db2.gz NUJXMSOJJCJANH-AZUAARDMSA-N 1 3 361.505 2.850 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)CC1 ZINC001223379576 1033418128 /nfs/dbraw/zinc/41/81/28/1033418128.db2.gz VXBADGJCKIPAIN-MJGOQNOKSA-N 1 3 359.489 2.590 20 0 FFADHO CCC/C=C/CCN1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049150 1033489296 /nfs/dbraw/zinc/48/92/96/1033489296.db2.gz ATZMLNYTYXYOHZ-IKLBINMZSA-N 1 3 363.546 2.520 20 0 FFADHO CC(C)Oc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219175027 1033543974 /nfs/dbraw/zinc/54/39/74/1033543974.db2.gz UPIORZMMKFXXCZ-HNNXBMFYSA-N 1 3 359.392 2.758 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(F)c(C(=O)OC(C)(C)C)c1 ZINC001219358495 1033616145 /nfs/dbraw/zinc/61/61/45/1033616145.db2.gz LFMCYNBXEICOQG-INIZCTEOSA-N 1 3 367.465 2.779 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224169752 1033750013 /nfs/dbraw/zinc/75/00/13/1033750013.db2.gz PJFBPVRHONETBG-QYZOEREBSA-N 1 3 353.526 2.923 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224221951 1033782322 /nfs/dbraw/zinc/78/23/22/1033782322.db2.gz FWSAZPVRLUPNIP-CTNGQTDRSA-N 1 3 370.541 2.689 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC001138159198 1033872462 /nfs/dbraw/zinc/87/24/62/1033872462.db2.gz RTVGYDSWXHNOBE-UHFFFAOYSA-N 1 3 359.543 2.598 20 0 FFADHO CCCN(C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC001224846404 1034029646 /nfs/dbraw/zinc/02/96/46/1034029646.db2.gz UNLITQRNJDRMEL-FGTMMUONSA-N 1 3 352.567 2.869 20 0 FFADHO CCCN(C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC001224846404 1034029654 /nfs/dbraw/zinc/02/96/54/1034029654.db2.gz UNLITQRNJDRMEL-FGTMMUONSA-N 1 3 352.567 2.869 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220251637 1034070034 /nfs/dbraw/zinc/07/00/34/1034070034.db2.gz AAJHPHKNOISZMQ-LEWJYISDSA-N 1 3 351.494 2.824 20 0 FFADHO C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220251637 1034070050 /nfs/dbraw/zinc/07/00/50/1034070050.db2.gz AAJHPHKNOISZMQ-LEWJYISDSA-N 1 3 351.494 2.824 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001220667227 1034325336 /nfs/dbraw/zinc/32/53/36/1034325336.db2.gz XMQYNJXNBDHGPJ-IBGZPJMESA-N 1 3 360.546 2.882 20 0 FFADHO O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220694482 1034341484 /nfs/dbraw/zinc/34/14/84/1034341484.db2.gz MDMCQWKBJWQCGN-FGZHOGPDSA-N 1 3 371.484 2.854 20 0 FFADHO O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220694483 1034341643 /nfs/dbraw/zinc/34/16/43/1034341643.db2.gz MDMCQWKBJWQCGN-VXKWHMMOSA-N 1 3 371.484 2.854 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)c2)CC1 ZINC001138501589 1034342958 /nfs/dbraw/zinc/34/29/58/1034342958.db2.gz YXNZCZPYMYAVJR-QUCCMNQESA-N 1 3 356.514 2.784 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)c2)CC1 ZINC001138501589 1034342974 /nfs/dbraw/zinc/34/29/74/1034342974.db2.gz YXNZCZPYMYAVJR-QUCCMNQESA-N 1 3 356.514 2.784 20 0 FFADHO COc1cc(O[C@@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)ccn1 ZINC001138773896 1034643679 /nfs/dbraw/zinc/64/36/79/1034643679.db2.gz RSNXPIPZPCSJJD-HXUWFJFHSA-N 1 3 371.481 2.684 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001226800310 1034845879 /nfs/dbraw/zinc/84/58/79/1034845879.db2.gz KBPPEWSHZFYEIL-VAMGGRTRSA-N 1 3 359.514 2.552 20 0 FFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221710782 1035002592 /nfs/dbraw/zinc/00/25/92/1035002592.db2.gz IXRPRJAOEKRXNK-QRVBRYPASA-N 1 3 351.510 2.533 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cscc3Br)CC2)CC1 ZINC001139351118 1035069760 /nfs/dbraw/zinc/06/97/60/1035069760.db2.gz OJIXWTKPGQJEMW-UHFFFAOYSA-N 1 3 372.376 2.970 20 0 FFADHO Fc1cc(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)ccn1 ZINC001139833074 1035247385 /nfs/dbraw/zinc/24/73/85/1035247385.db2.gz YHEDJWHTCAUQAC-UHFFFAOYSA-N 1 3 370.472 2.730 20 0 FFADHO COC(=O)c1cccc2[nH]nc(CN(C)CC3CC[NH+](C(C)C)CC3)c21 ZINC001232437456 1035684823 /nfs/dbraw/zinc/68/48/23/1035684823.db2.gz SEAIQIXOIQPNCU-UHFFFAOYSA-N 1 3 358.486 2.902 20 0 FFADHO COC(=O)c1cccc2n[nH]c(CN(C)CC3CC[NH+](C(C)C)CC3)c21 ZINC001232437456 1035684827 /nfs/dbraw/zinc/68/48/27/1035684827.db2.gz SEAIQIXOIQPNCU-UHFFFAOYSA-N 1 3 358.486 2.902 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703894 1035685981 /nfs/dbraw/zinc/68/59/81/1035685981.db2.gz OJBOSGJJWOVOSE-AQNXPRMDSA-N 1 3 365.562 2.550 20 0 FFADHO CC(C)Oc1ccccc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365323 1036070361 /nfs/dbraw/zinc/07/03/61/1036070361.db2.gz BLQNYTSOLSTHBG-RTBURBONSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1)N(C)C ZINC001228445963 1036118722 /nfs/dbraw/zinc/11/87/22/1036118722.db2.gz YMBAHFVNHNFVHH-KZNAEPCWSA-N 1 3 351.560 2.894 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1)[NH+](CC)CC ZINC001228559681 1036179341 /nfs/dbraw/zinc/17/93/41/1036179341.db2.gz XIKRRZZZHZDSLB-QRVBRYPASA-N 1 3 364.509 2.858 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC001229231189 1036565688 /nfs/dbraw/zinc/56/56/88/1036565688.db2.gz MRKICEIZTOCBBE-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC001229587377 1036763874 /nfs/dbraw/zinc/76/38/74/1036763874.db2.gz BLOVCGJJCXWYPL-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CCc1onc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801481 1036905639 /nfs/dbraw/zinc/90/56/39/1036905639.db2.gz QJXQDFWZGTWMQG-QZTJIDSGSA-N 1 3 364.534 2.794 20 0 FFADHO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001230243545 1037173031 /nfs/dbraw/zinc/17/30/31/1037173031.db2.gz ROSNSMDSHNWAEP-PWIZWCRZSA-N 1 3 361.530 2.540 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001207231179 1037265787 /nfs/dbraw/zinc/26/57/87/1037265787.db2.gz GMFHMFHQTSIMNQ-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001207231179 1037265799 /nfs/dbraw/zinc/26/57/99/1037265799.db2.gz GMFHMFHQTSIMNQ-MISYRCLQSA-N 1 3 363.521 2.920 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001207281431 1037312304 /nfs/dbraw/zinc/31/23/04/1037312304.db2.gz CVCKEBIFIFPCNA-NRFANRHFSA-N 1 3 358.530 2.626 20 0 FFADHO Cc1nnn(-c2ccc(F)cc2)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429660 1037546690 /nfs/dbraw/zinc/54/66/90/1037546690.db2.gz BYSGUWXBASLQEF-SJORKVTESA-N 1 3 357.477 2.926 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)C2)cc1 ZINC001235482462 1037578530 /nfs/dbraw/zinc/57/85/30/1037578530.db2.gz AZCGENIMTHVVCQ-GIVPXCGWSA-N 1 3 370.541 2.838 20 0 FFADHO COCCCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC001231542623 1037667032 /nfs/dbraw/zinc/66/70/32/1037667032.db2.gz HNXBXPAICHNZOH-UHFFFAOYSA-N 1 3 350.503 2.884 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC001207758031 1037701867 /nfs/dbraw/zinc/70/18/67/1037701867.db2.gz SBHRVCXGQAITDN-VQIMIIECSA-N 1 3 368.525 2.902 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC001207758031 1037701887 /nfs/dbraw/zinc/70/18/87/1037701887.db2.gz SBHRVCXGQAITDN-VQIMIIECSA-N 1 3 368.525 2.902 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2cccc3cccnc32)C[C@H]1C ZINC001207758031 1037701908 /nfs/dbraw/zinc/70/19/08/1037701908.db2.gz SBHRVCXGQAITDN-VQIMIIECSA-N 1 3 368.525 2.902 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2cccc3cccnc32)C[C@H]1C ZINC001207758031 1037701924 /nfs/dbraw/zinc/70/19/24/1037701924.db2.gz SBHRVCXGQAITDN-VQIMIIECSA-N 1 3 368.525 2.902 20 0 FFADHO c1ccc(COC[C@H]2CCN2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235714954 1037706050 /nfs/dbraw/zinc/70/60/50/1037706050.db2.gz NGVOMTWLVMTZKX-HSZRJFAPSA-N 1 3 365.521 2.883 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3cccc4sccc43)C2)C1=O ZINC001277547570 1037786432 /nfs/dbraw/zinc/78/64/32/1037786432.db2.gz GZOUJEAWJWWLJX-HXUWFJFHSA-N 1 3 357.523 2.887 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3cccc4sccc43)C2)C1=O ZINC001277547570 1037786443 /nfs/dbraw/zinc/78/64/43/1037786443.db2.gz GZOUJEAWJWWLJX-HXUWFJFHSA-N 1 3 357.523 2.887 20 0 FFADHO c1ccc(CN(C[C@@H]2CNCCO2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235948565 1037852288 /nfs/dbraw/zinc/85/22/88/1037852288.db2.gz PYPWDJDMCSOIMO-PKTZIBPZSA-N 1 3 365.521 2.752 20 0 FFADHO c1ccc(CN(C[C@@H]2CNCCO2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235948565 1037852310 /nfs/dbraw/zinc/85/23/10/1037852310.db2.gz PYPWDJDMCSOIMO-PKTZIBPZSA-N 1 3 365.521 2.752 20 0 FFADHO CN(Cc1ccc2c(c1)C[NH2+]C2)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001236232796 1037995599 /nfs/dbraw/zinc/99/55/99/1037995599.db2.gz DZHZUJIZJAVCOS-JOCHJYFZSA-N 1 3 351.494 2.623 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)c1OC ZINC001236314994 1038041604 /nfs/dbraw/zinc/04/16/04/1038041604.db2.gz UKKWGQSMMBPOLG-OKILXGFUSA-N 1 3 369.303 2.898 20 0 FFADHO Fc1ccc(CN(Cc2cnc3c(c2)OCCO3)CC2CC[NH2+]CC2)cc1 ZINC001236380925 1038063371 /nfs/dbraw/zinc/06/33/71/1038063371.db2.gz IFWLMLRMSWOGGR-UHFFFAOYSA-N 1 3 371.456 2.994 20 0 FFADHO Fc1cccc(CN(Cc2nc3c(s2)CNCC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001236396540 1038070810 /nfs/dbraw/zinc/07/08/10/1038070810.db2.gz ORABGFOVTSAQPW-MRXNPFEDSA-N 1 3 360.502 2.682 20 0 FFADHO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001255633908 1038097020 /nfs/dbraw/zinc/09/70/20/1038097020.db2.gz QBELXVYZRTTXKO-ZBFHGGJFSA-N 1 3 371.447 2.732 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163972 1038106519 /nfs/dbraw/zinc/10/65/19/1038106519.db2.gz LWWBTGDPPAIFNH-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO COc1ccc(O[C@H]2CCCN(Cc3ccc4c(c3)CC[NH2+]C4)C2)nc1 ZINC001236622501 1038160162 /nfs/dbraw/zinc/16/01/62/1038160162.db2.gz OYTYGDYXQYBIQH-FQEVSTJZSA-N 1 3 353.466 2.779 20 0 FFADHO CCN(Cc1ccc2c(c1)OCO2)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236665859 1038181759 /nfs/dbraw/zinc/18/17/59/1038181759.db2.gz YJHZZEUBNQZOGO-UHFFFAOYSA-N 1 3 353.466 2.847 20 0 FFADHO CC(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001277611665 1038192126 /nfs/dbraw/zinc/19/21/26/1038192126.db2.gz KKMWECIPDMBDIJ-NRFANRHFSA-N 1 3 361.505 2.968 20 0 FFADHO CC(C)CN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001277611665 1038192131 /nfs/dbraw/zinc/19/21/31/1038192131.db2.gz KKMWECIPDMBDIJ-NRFANRHFSA-N 1 3 361.505 2.968 20 0 FFADHO COCCC1([NH3+])CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001256461981 1038522748 /nfs/dbraw/zinc/52/27/48/1038522748.db2.gz IRYYVKQYCDGSAH-JKSUJKDBSA-N 1 3 355.523 2.604 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(C3COC3)CC2)CCN1Cc1ccccc1 ZINC001256536215 1038550525 /nfs/dbraw/zinc/55/05/25/1038550525.db2.gz JLHDQFFZBIFKFO-WIYYLYMNSA-N 1 3 357.542 2.740 20 0 FFADHO c1ccc(CN2CCC[C@H](C[NH+]3CCC(N4CCOCC4)CC3)C2)cc1 ZINC001208933991 1038594868 /nfs/dbraw/zinc/59/48/68/1038594868.db2.gz XGJBCUDVJDSRFC-OAQYLSRUSA-N 1 3 357.542 2.695 20 0 FFADHO CCOC(=O)C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256685808 1038602346 /nfs/dbraw/zinc/60/23/46/1038602346.db2.gz HMRFUGXOCSBZPD-SOAGJPPSSA-N 1 3 360.498 2.914 20 0 FFADHO Cc1cccnc1C1(C[NH2+]C2CCC(N3CCOCC3)CC2)CCOCC1 ZINC001256685776 1038602513 /nfs/dbraw/zinc/60/25/13/1038602513.db2.gz GOGMXDRHNRKRDI-UHFFFAOYSA-N 1 3 373.541 2.671 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)Cc3ccncc3)cc2)CC1 ZINC001256723695 1038610379 /nfs/dbraw/zinc/61/03/79/1038610379.db2.gz ZEINYJKVCRNFFL-IBGZPJMESA-N 1 3 352.526 2.940 20 0 FFADHO CC(C)N1CCC([NH2+]Cc2cccc(N3CCCCS3(=O)=O)c2)CC1 ZINC001257212402 1038745594 /nfs/dbraw/zinc/74/55/94/1038745594.db2.gz SZTMNFPPTIIXIS-UHFFFAOYSA-N 1 3 365.543 2.579 20 0 FFADHO CC(C)C(=O)N[C@H]1COCCC12CCN(C1CC[NH+](C(C)C)CC1)CC2 ZINC001257215123 1038746038 /nfs/dbraw/zinc/74/60/38/1038746038.db2.gz ASYLUHVJNSGOKV-IBGZPJMESA-N 1 3 365.562 2.503 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1c[nH]c2ncc(Cl)cc12 ZINC001209597175 1039037703 /nfs/dbraw/zinc/03/77/03/1039037703.db2.gz HBWGDHVVFLPFNC-UHFFFAOYSA-N 1 3 352.866 2.533 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1c[nH]c2ncc(Cl)cc12 ZINC001209597175 1039037719 /nfs/dbraw/zinc/03/77/19/1039037719.db2.gz HBWGDHVVFLPFNC-UHFFFAOYSA-N 1 3 352.866 2.533 20 0 FFADHO C[NH+](C)CCN1CCO[C@@]2(CCCN(Cc3cc4ccccc4o3)C2)C1 ZINC001279065616 1039097227 /nfs/dbraw/zinc/09/72/27/1039097227.db2.gz XDKFPTVROHQQJV-NRFANRHFSA-N 1 3 357.498 2.661 20 0 FFADHO NC1(C[NH2+]C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CCCC1 ZINC001245973193 1039170552 /nfs/dbraw/zinc/17/05/52/1039170552.db2.gz GVZNRHSFFBQVAU-OAHLLOKOSA-N 1 3 353.466 2.922 20 0 FFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001245981901 1039174406 /nfs/dbraw/zinc/17/44/06/1039174406.db2.gz CYIVYIZCMGTXKP-YXJHDRRASA-N 1 3 353.466 2.920 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)COCc1c(Cl)cccc1Cl ZINC001245985607 1039177011 /nfs/dbraw/zinc/17/70/11/1039177011.db2.gz RNLPEUQKWALPDA-ZUMXRPEOSA-N 1 3 373.324 2.849 20 0 FFADHO Cc1ccccc1OC[C@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246005397 1039187425 /nfs/dbraw/zinc/18/74/25/1039187425.db2.gz UYEBPSOCMLJZOP-ZOCIIQOWSA-N 1 3 364.436 2.561 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](CCCCF)C2)C1=O ZINC001276668388 1039193447 /nfs/dbraw/zinc/19/34/47/1039193447.db2.gz XWCREOMQWSMCSW-PZJWPPBQSA-N 1 3 361.505 2.616 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](CCCCF)C2)C1=O ZINC001276668388 1039193452 /nfs/dbraw/zinc/19/34/52/1039193452.db2.gz XWCREOMQWSMCSW-PZJWPPBQSA-N 1 3 361.505 2.616 20 0 FFADHO CCOC(=O)Cc1ccc2c(c1)CN(Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001209894453 1039277808 /nfs/dbraw/zinc/27/78/08/1039277808.db2.gz GHHLLPNXNLKWHT-UHFFFAOYSA-N 1 3 364.489 2.996 20 0 FFADHO Ic1ccc2c(c1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246263473 1039289804 /nfs/dbraw/zinc/28/98/04/1039289804.db2.gz AXYFHIPTKZNHAR-QGPPMGRFSA-N 1 3 368.262 2.631 20 0 FFADHO Ic1ccc2c(c1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246263464 1039290384 /nfs/dbraw/zinc/29/03/84/1039290384.db2.gz AXYFHIPTKZNHAR-IUOOZAAYSA-N 1 3 368.262 2.631 20 0 FFADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246287221 1039297744 /nfs/dbraw/zinc/29/77/44/1039297744.db2.gz LJDJKDLXJRDDIS-BEIJKFFHSA-N 1 3 355.526 2.685 20 0 FFADHO COC(=O)c1ccc(CC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246316663 1039309667 /nfs/dbraw/zinc/30/96/67/1039309667.db2.gz JVUNZRLFWVXBNX-SFTDATJTSA-N 1 3 352.478 2.969 20 0 FFADHO COC(=O)c1ccccc1CC[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246479048 1039365203 /nfs/dbraw/zinc/36/52/03/1039365203.db2.gz QORVXSQXYUSTMM-VQTJNVASSA-N 1 3 352.478 2.969 20 0 FFADHO CC[NH+](CC)CCN1CCN(C2CCC3(CC2)OCC(C)(C)CO3)CC1 ZINC001258522354 1039416045 /nfs/dbraw/zinc/41/60/45/1039416045.db2.gz GQGDUIPQFGXOCD-UHFFFAOYSA-N 1 3 367.578 2.658 20 0 FFADHO C[NH+](C)CCCN1CCN(C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258546163 1039424049 /nfs/dbraw/zinc/42/40/49/1039424049.db2.gz WJGZTAXDLXUEFR-UHFFFAOYSA-N 1 3 364.965 2.878 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc(Cl)n3)(C1)CCC2 ZINC001278645645 1039438308 /nfs/dbraw/zinc/43/83/08/1039438308.db2.gz IVBZFKYJLHIGQP-MSOLQXFVSA-N 1 3 353.894 2.880 20 0 FFADHO CC(C)(C)[C@H]1C[C@H](N2CCCn3cnc(CNC4CCC4)c3C2)CC[NH2+]1 ZINC001246729170 1039454310 /nfs/dbraw/zinc/45/43/10/1039454310.db2.gz BWNQPJNCRJFCSF-YLJYHZDGSA-N 1 3 359.562 2.898 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCN[C@H](C(C)C)C4)C[C@@H]3C2=O)c1 ZINC001246749825 1039463104 /nfs/dbraw/zinc/46/31/04/1039463104.db2.gz WXAHYJMQPBGWBW-WOZUAGRISA-N 1 3 355.526 2.662 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCN[C@H](C(C)C)C4)C[C@@H]3C2=O)c1 ZINC001246749825 1039463111 /nfs/dbraw/zinc/46/31/11/1039463111.db2.gz WXAHYJMQPBGWBW-WOZUAGRISA-N 1 3 355.526 2.662 20 0 FFADHO COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(OC)cc2)C2CCNCC2)C1 ZINC001246955316 1039546977 /nfs/dbraw/zinc/54/69/77/1039546977.db2.gz RRYCPBMWUWASOZ-HKUYNNGSSA-N 1 3 360.498 2.981 20 0 FFADHO COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(OC)cc2)C2CCNCC2)C1 ZINC001246955316 1039546987 /nfs/dbraw/zinc/54/69/87/1039546987.db2.gz RRYCPBMWUWASOZ-HKUYNNGSSA-N 1 3 360.498 2.981 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(OC)cc2)C2CCNCC2)C1 ZINC001246955319 1039547667 /nfs/dbraw/zinc/54/76/67/1039547667.db2.gz RRYCPBMWUWASOZ-PKOBYXMFSA-N 1 3 360.498 2.981 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(OC)cc2)C2CCNCC2)C1 ZINC001246955319 1039547678 /nfs/dbraw/zinc/54/76/78/1039547678.db2.gz RRYCPBMWUWASOZ-PKOBYXMFSA-N 1 3 360.498 2.981 20 0 FFADHO COc1ccccc1C[C@@H](C)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258882088 1039558703 /nfs/dbraw/zinc/55/87/03/1039558703.db2.gz LMPYWUVFOWQIPV-PBHICJAKSA-N 1 3 351.491 2.806 20 0 FFADHO Cc1ccc2[nH]nc(CN[C@@]34CC[C@@]([NH2+]CCN(C)C)(C3)CCC4)c2c1 ZINC001278486251 1039752729 /nfs/dbraw/zinc/75/27/29/1039752729.db2.gz YNORZSYATMLZBP-RTWAWAEBSA-N 1 3 355.530 2.958 20 0 FFADHO CCCC[C@@H](CC)COC[C@@H](O)CNC1CC[NH+](CCCOC)CC1 ZINC001253022432 1039926472 /nfs/dbraw/zinc/92/64/72/1039926472.db2.gz OQJLGTJREAMDGS-QUCCMNQESA-N 1 3 358.567 2.671 20 0 FFADHO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001253031648 1039933617 /nfs/dbraw/zinc/93/36/17/1039933617.db2.gz RVNWLGGWHQUNST-NCYKPQTJSA-N 1 3 370.578 2.813 20 0 FFADHO O[C@H](CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253354548 1040125658 /nfs/dbraw/zinc/12/56/58/1040125658.db2.gz UJWKLVGHYHINSB-LVCYWYKZSA-N 1 3 373.447 2.847 20 0 FFADHO O[C@H](CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253354548 1040125665 /nfs/dbraw/zinc/12/56/65/1040125665.db2.gz UJWKLVGHYHINSB-LVCYWYKZSA-N 1 3 373.447 2.847 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCc1c[nH]c2ccc(Br)cc12 ZINC001253405238 1040156697 /nfs/dbraw/zinc/15/66/97/1040156697.db2.gz SLKDYLIXNLSLKA-AWEZNQCLSA-N 1 3 368.319 2.812 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1(Cc2ccc(Cl)cc2)CCOCC1 ZINC001253410557 1040159402 /nfs/dbraw/zinc/15/94/02/1040159402.db2.gz LHAKHIVXSHUTOA-QGZVFWFLSA-N 1 3 354.922 2.770 20 0 FFADHO [NH3+][C@@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1ccc(Cl)cc1 ZINC001248195688 1040167538 /nfs/dbraw/zinc/16/75/38/1040167538.db2.gz SBXJAKZDVGFVKH-AWEZNQCLSA-N 1 3 355.829 2.673 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2ccc(C)cn2)CC3)n(C)n1 ZINC001278727924 1040217252 /nfs/dbraw/zinc/21/72/52/1040217252.db2.gz UBGXRWSJHPXYBR-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO COc1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c1 ZINC001253958782 1040473756 /nfs/dbraw/zinc/47/37/56/1040473756.db2.gz NYFDGKKEIFBLQC-IPMKNSEASA-N 1 3 362.514 2.774 20 0 FFADHO COc1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c1 ZINC001253958782 1040473771 /nfs/dbraw/zinc/47/37/71/1040473771.db2.gz NYFDGKKEIFBLQC-IPMKNSEASA-N 1 3 362.514 2.774 20 0 FFADHO Cc1ccccc1OCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254048538 1040550507 /nfs/dbraw/zinc/55/05/07/1040550507.db2.gz OKPDBPBYRITXEV-UHFFFAOYSA-N 1 3 354.494 2.991 20 0 FFADHO COCCC1([NH3+])CCN([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254298006 1040665750 /nfs/dbraw/zinc/66/57/50/1040665750.db2.gz WXNFOEYFFUSOHH-INIZCTEOSA-N 1 3 355.523 2.606 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)CC3([NH+](C)C)CCC3)C2)cc1 ZINC001254474002 1040740430 /nfs/dbraw/zinc/74/04/30/1040740430.db2.gz MJTVRRXHFYDFIN-IBGZPJMESA-N 1 3 358.530 2.695 20 0 FFADHO COc1cccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1OC ZINC001278541101 1041038463 /nfs/dbraw/zinc/03/84/63/1041038463.db2.gz CMNFUVCNLPTGRQ-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO COc1cccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1OC ZINC001278541101 1041038479 /nfs/dbraw/zinc/03/84/79/1041038479.db2.gz CMNFUVCNLPTGRQ-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934319 1041086901 /nfs/dbraw/zinc/08/69/01/1041086901.db2.gz PCHQIAQMJOBPMV-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255122421 1041157648 /nfs/dbraw/zinc/15/76/48/1041157648.db2.gz PUYAXFXVDXKWSS-BCDXTJNWSA-N 1 3 368.481 2.887 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122421 1041157654 /nfs/dbraw/zinc/15/76/54/1041157654.db2.gz PUYAXFXVDXKWSS-BCDXTJNWSA-N 1 3 368.481 2.887 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H](N2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001255366698 1041296915 /nfs/dbraw/zinc/29/69/15/1041296915.db2.gz VPOKSKGKPUFMOD-DYXWJJEUSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H](N2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001255366698 1041296919 /nfs/dbraw/zinc/29/69/19/1041296919.db2.gz VPOKSKGKPUFMOD-DYXWJJEUSA-N 1 3 366.546 2.931 20 0 FFADHO COc1ncnc2c1CC[N@@H+]([C@@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255400817 1041321209 /nfs/dbraw/zinc/32/12/09/1041321209.db2.gz CYSCHNZCOAKWMA-LJQANCHMSA-N 1 3 366.509 2.941 20 0 FFADHO COc1ncnc2c1CC[N@H+]([C@@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255400817 1041321224 /nfs/dbraw/zinc/32/12/24/1041321224.db2.gz CYSCHNZCOAKWMA-LJQANCHMSA-N 1 3 366.509 2.941 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1(C)C ZINC001262040131 1041524048 /nfs/dbraw/zinc/52/40/48/1041524048.db2.gz GIQDINNOYFPWCZ-DYESRHJHSA-N 1 3 365.562 2.776 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@@H]2C1 ZINC001262355562 1041653890 /nfs/dbraw/zinc/65/38/90/1041653890.db2.gz ZEDOQZZMVXKHRH-PLACYPQZSA-N 1 3 370.541 2.633 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234376 1041708460 /nfs/dbraw/zinc/70/84/60/1041708460.db2.gz RCXDVNXFRAUSKF-IEBWSBKVSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)N(C)C)cc1 ZINC001262567451 1041726142 /nfs/dbraw/zinc/72/61/42/1041726142.db2.gz SPPMPKYQKTZWKD-OAGGEKHMSA-N 1 3 372.435 2.519 20 0 FFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215474381 1041797745 /nfs/dbraw/zinc/79/77/45/1041797745.db2.gz OXWYDSGTVMHQTF-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC/C=C/c3ccccc3)C2)C1 ZINC001215541062 1041820223 /nfs/dbraw/zinc/82/02/23/1041820223.db2.gz WGCNUAMHOHTFRJ-LPMJTURMSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC001215685442 1041859608 /nfs/dbraw/zinc/85/96/08/1041859608.db2.gz QZQJOMVZQCJTCM-RDTXWAMCSA-N 1 3 360.889 2.675 20 0 FFADHO COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778325 1041879457 /nfs/dbraw/zinc/87/94/57/1041879457.db2.gz GKTYSTBRUZCLMW-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC2CCC2)C1 ZINC001215778675 1041880861 /nfs/dbraw/zinc/88/08/61/1041880861.db2.gz WZSSRDGMAYINRB-RLLQIKCJSA-N 1 3 365.562 2.503 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC001215973094 1041920080 /nfs/dbraw/zinc/92/00/80/1041920080.db2.gz QCBHAEOCLICWEP-CRAIPNDOSA-N 1 3 366.575 2.900 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001263095215 1042099386 /nfs/dbraw/zinc/09/93/86/1042099386.db2.gz GTKYWUBVYHOWIF-PZJWPPBQSA-N 1 3 357.498 2.504 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001216851634 1042143504 /nfs/dbraw/zinc/14/35/04/1042143504.db2.gz DCWMPVABRMEJSF-RHSMWYFYSA-N 1 3 353.457 2.901 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186118 1042156638 /nfs/dbraw/zinc/15/66/38/1042156638.db2.gz SPNDLGMSTFWWPU-ZWKOTPCHSA-N 1 3 357.498 2.623 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCc2cccs2)C1 ZINC001264000499 1042574247 /nfs/dbraw/zinc/57/42/47/1042574247.db2.gz SFYGBFLXFHKVLC-KURKYZTESA-N 1 3 363.571 2.849 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1c(C)nsc1C ZINC001264005101 1042576962 /nfs/dbraw/zinc/57/69/62/1042576962.db2.gz NPGTVAYJSMYHIV-PBHICJAKSA-N 1 3 366.575 2.818 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1c(C)nsc1C ZINC001264005101 1042576963 /nfs/dbraw/zinc/57/69/63/1042576963.db2.gz NPGTVAYJSMYHIV-PBHICJAKSA-N 1 3 366.575 2.818 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)[C@@H]1CC)N(CC)CC ZINC001264618600 1042750301 /nfs/dbraw/zinc/75/03/01/1042750301.db2.gz LRNAUSUONXOOIG-OTWHNJEPSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)[C@@H]1CC)N(CC)CC ZINC001264618600 1042750307 /nfs/dbraw/zinc/75/03/07/1042750307.db2.gz LRNAUSUONXOOIG-OTWHNJEPSA-N 1 3 353.551 2.503 20 0 FFADHO c1n[nH]cc1C[N@H+]1CCC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC001279172764 1042930606 /nfs/dbraw/zinc/93/06/06/1042930606.db2.gz DQORFLBVLAJJLL-UHFFFAOYSA-N 1 3 354.454 2.627 20 0 FFADHO c1n[nH]cc1C[N@@H+]1CCC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC001279172764 1042930611 /nfs/dbraw/zinc/93/06/11/1042930611.db2.gz DQORFLBVLAJJLL-UHFFFAOYSA-N 1 3 354.454 2.627 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC001279172764 1042930617 /nfs/dbraw/zinc/93/06/17/1042930617.db2.gz DQORFLBVLAJJLL-UHFFFAOYSA-N 1 3 354.454 2.627 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC001279172850 1042930846 /nfs/dbraw/zinc/93/08/46/1042930846.db2.gz GTTYKDAPVYDKCI-UHFFFAOYSA-N 1 3 359.514 2.655 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC001279172850 1042930849 /nfs/dbraw/zinc/93/08/49/1042930849.db2.gz GTTYKDAPVYDKCI-UHFFFAOYSA-N 1 3 359.514 2.655 20 0 FFADHO Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN2CCCCC2)n(C)n1 ZINC001279275504 1042978843 /nfs/dbraw/zinc/97/88/43/1042978843.db2.gz RKNCGHZSLHQDDI-IHWFROFDSA-N 1 3 359.562 2.690 20 0 FFADHO Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN2CCCCC2)n(C)n1 ZINC001279275504 1042978846 /nfs/dbraw/zinc/97/88/46/1042978846.db2.gz RKNCGHZSLHQDDI-IHWFROFDSA-N 1 3 359.562 2.690 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3coc4ccccc34)C[C@H]2CC1 ZINC001279317064 1042997787 /nfs/dbraw/zinc/99/77/87/1042997787.db2.gz KSYUWFWMLJOVES-CALCHBBNSA-N 1 3 355.482 2.665 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3coc4ccccc34)C[C@H]2CC1 ZINC001279317064 1042997790 /nfs/dbraw/zinc/99/77/90/1042997790.db2.gz KSYUWFWMLJOVES-CALCHBBNSA-N 1 3 355.482 2.665 20 0 FFADHO CCCCc1nc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c[nH]1 ZINC001279361314 1043026938 /nfs/dbraw/zinc/02/69/38/1043026938.db2.gz QRXKASYHNAVFKK-UHFFFAOYSA-N 1 3 361.578 2.992 20 0 FFADHO CCCCc1nc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c[nH]1 ZINC001279361314 1043026939 /nfs/dbraw/zinc/02/69/39/1043026939.db2.gz QRXKASYHNAVFKK-UHFFFAOYSA-N 1 3 361.578 2.992 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc4ccnc(Cl)c4c3)[C@@H]2C1 ZINC001279451248 1043129989 /nfs/dbraw/zinc/12/99/89/1043129989.db2.gz HIGOLKDBRNRSPS-PKOBYXMFSA-N 1 3 358.917 2.956 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc4ccnc(Cl)c4c3)[C@@H]2C1 ZINC001279451248 1043129995 /nfs/dbraw/zinc/12/99/95/1043129995.db2.gz HIGOLKDBRNRSPS-PKOBYXMFSA-N 1 3 358.917 2.956 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3cccc4c3CCO4)(C1)CCC2 ZINC001279475908 1043158165 /nfs/dbraw/zinc/15/81/65/1043158165.db2.gz LKBFLTPUICFPPO-RTWAWAEBSA-N 1 3 360.498 2.767 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc(C)c(Cl)c2C)CCC12C[NH2+]C2 ZINC001237434611 1043160362 /nfs/dbraw/zinc/16/03/62/1043160362.db2.gz DHDKARWWQKJXTK-MRXNPFEDSA-N 1 3 350.890 2.931 20 0 FFADHO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(CC1(C[NH+](C)C)CCCC1)C2 ZINC001279491854 1043177832 /nfs/dbraw/zinc/17/78/32/1043177832.db2.gz JKUFXPUGBXFULD-MOPGFXCFSA-N 1 3 359.562 2.531 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cc3cccnc3s1)CC2 ZINC001279492058 1043178291 /nfs/dbraw/zinc/17/82/91/1043178291.db2.gz DXSOLAVWCCCBIV-UHFFFAOYSA-N 1 3 372.538 2.672 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC001279501960 1043196463 /nfs/dbraw/zinc/19/64/63/1043196463.db2.gz LOYTUJMGXVFZOP-JSXRDJHFSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C[C@@H]1CCC[N@@H+](C)C1 ZINC001279501960 1043196470 /nfs/dbraw/zinc/19/64/70/1043196470.db2.gz LOYTUJMGXVFZOP-JSXRDJHFSA-N 1 3 351.579 2.930 20 0 FFADHO CCOc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(C)n1 ZINC001279583712 1043293288 /nfs/dbraw/zinc/29/32/88/1043293288.db2.gz FOFZABZXWAMWJP-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO CCOc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c(C)n1 ZINC001279583712 1043293296 /nfs/dbraw/zinc/29/32/96/1043293296.db2.gz FOFZABZXWAMWJP-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCc1cccc(Cl)c1)CC2 ZINC001279611291 1043338718 /nfs/dbraw/zinc/33/87/18/1043338718.db2.gz VWHQNLFQOOLZKA-UHFFFAOYSA-N 1 3 363.933 2.759 20 0 FFADHO COc1ncc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cc1C ZINC001279641027 1043385469 /nfs/dbraw/zinc/38/54/69/1043385469.db2.gz YGCFPZHAWCVNDB-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO COc1ncc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cc1C ZINC001279641027 1043385475 /nfs/dbraw/zinc/38/54/75/1043385475.db2.gz YGCFPZHAWCVNDB-UHFFFAOYSA-N 1 3 360.546 2.638 20 0 FFADHO CN1CCO[C@@]2(CCCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001278176396 1043484385 /nfs/dbraw/zinc/48/43/85/1043484385.db2.gz VRLBAASPEQECRU-VXKWHMMOSA-N 1 3 357.542 2.695 20 0 FFADHO CN1CCO[C@@]2(CCCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001278176396 1043484392 /nfs/dbraw/zinc/48/43/92/1043484392.db2.gz VRLBAASPEQECRU-VXKWHMMOSA-N 1 3 357.542 2.695 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cc(Cl)cnc1Cl)CC2 ZINC001279708031 1043507138 /nfs/dbraw/zinc/50/71/38/1043507138.db2.gz NPXGSRWUKCCXKU-UHFFFAOYSA-N 1 3 357.329 2.848 20 0 FFADHO CN(C)[C@H](CNC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3)c1ccccc1 ZINC001311420813 1043914510 /nfs/dbraw/zinc/91/45/10/1043914510.db2.gz NESZKJYKGIWOSQ-FCEUIQTBSA-N 1 3 370.541 2.807 20 0 FFADHO CN(C)[C@H](CNC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)c1ccccc1 ZINC001311420813 1043914514 /nfs/dbraw/zinc/91/45/14/1043914514.db2.gz NESZKJYKGIWOSQ-FCEUIQTBSA-N 1 3 370.541 2.807 20 0 FFADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001311577523 1043941961 /nfs/dbraw/zinc/94/19/61/1043941961.db2.gz VBBMBNDGLLLKLH-MRXNPFEDSA-N 1 3 364.559 2.916 20 0 FFADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC001311577523 1043941971 /nfs/dbraw/zinc/94/19/71/1043941971.db2.gz VBBMBNDGLLLKLH-MRXNPFEDSA-N 1 3 364.559 2.916 20 0 FFADHO Cc1ccccc1CN1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279990316 1044049008 /nfs/dbraw/zinc/04/90/08/1044049008.db2.gz TVJSTAGQZXYYKZ-LJQANCHMSA-N 1 3 373.566 2.513 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cccc3c1CCC3)CC2 ZINC001279997499 1044063802 /nfs/dbraw/zinc/06/38/02/1044063802.db2.gz IYRRWLJFUWPBIL-UHFFFAOYSA-N 1 3 355.526 2.551 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Cl)c(Cl)c1 ZINC001239216178 1044073771 /nfs/dbraw/zinc/07/37/71/1044073771.db2.gz NFUBAXVYFKCSEY-GFCCVEGCSA-N 1 3 357.285 2.989 20 0 FFADHO CCOc1ccc(F)c(F)c1CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001278290059 1044073919 /nfs/dbraw/zinc/07/39/19/1044073919.db2.gz BLTGRVPKDVFRRA-UHFFFAOYSA-N 1 3 367.484 2.823 20 0 FFADHO CC/C=C\CCN1CC2(C1)SCC[C@@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001280028437 1044104242 /nfs/dbraw/zinc/10/42/42/1044104242.db2.gz LDPYEIZZIIRISF-CNZFZVQHSA-N 1 3 367.603 2.950 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSC2(CCCCC2)C1 ZINC001312993520 1044207029 /nfs/dbraw/zinc/20/70/29/1044207029.db2.gz BUHHQAGJRGNTFT-KRWDZBQOSA-N 1 3 370.607 2.720 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSC2(CCCCC2)C1 ZINC001312993520 1044207041 /nfs/dbraw/zinc/20/70/41/1044207041.db2.gz BUHHQAGJRGNTFT-KRWDZBQOSA-N 1 3 370.607 2.720 20 0 FFADHO CCOC(C)(C)C[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C)CC2)CC1 ZINC001280100807 1044207658 /nfs/dbraw/zinc/20/76/58/1044207658.db2.gz LPMVPPNCAMEOQX-UHFFFAOYSA-N 1 3 367.578 2.893 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313184700 1044262820 /nfs/dbraw/zinc/26/28/20/1044262820.db2.gz HVTSSGHNOISNEB-VQTJNVASSA-N 1 3 358.530 2.695 20 0 FFADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C2CC2)c(C)c1 ZINC001280134908 1044277335 /nfs/dbraw/zinc/27/73/35/1044277335.db2.gz DVBWMASUYVKVNI-IHWFROFDSA-N 1 3 359.514 2.973 20 0 FFADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C2CC2)c(C)c1 ZINC001280134908 1044277339 /nfs/dbraw/zinc/27/73/39/1044277339.db2.gz DVBWMASUYVKVNI-IHWFROFDSA-N 1 3 359.514 2.973 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CC3(CN(CCCCF)C3)C2)cc1 ZINC001280279357 1044529404 /nfs/dbraw/zinc/52/94/04/1044529404.db2.gz WBYRVHGLPHBGNC-UHFFFAOYSA-N 1 3 363.521 2.884 20 0 FFADHO c1ccc(CN2CC=C(c3ccc(O[C@@H]4CCC[NH2+]C4)nn3)CC2)cc1 ZINC001241502827 1044530867 /nfs/dbraw/zinc/53/08/67/1044530867.db2.gz WWQGNQLDDDNSLF-LJQANCHMSA-N 1 3 350.466 2.897 20 0 FFADHO Cc1cc(CN2CCC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)CC2)oc1C ZINC001280331340 1044619480 /nfs/dbraw/zinc/61/94/80/1044619480.db2.gz ZRIJTJVKQIYSIO-IBGZPJMESA-N 1 3 359.514 2.709 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318801639 1044885036 /nfs/dbraw/zinc/88/50/36/1044885036.db2.gz VFPZVVCIEYODLC-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318801639 1044885045 /nfs/dbraw/zinc/88/50/45/1044885045.db2.gz VFPZVVCIEYODLC-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001318502011 1045315665 /nfs/dbraw/zinc/31/56/65/1045315665.db2.gz FIJRYAMGXJGEON-MDNKFWRPSA-N 1 3 358.530 2.994 20 0 FFADHO [NH3+]Cc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001326676335 1047031549 /nfs/dbraw/zinc/03/15/49/1047031549.db2.gz RICIRXAUGLFSFG-LJQANCHMSA-N 1 3 355.457 2.813 20 0 FFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001331957414 1048185796 /nfs/dbraw/zinc/18/57/96/1048185796.db2.gz FGMBOEJJTSJRMZ-AUSIDOKSSA-N 1 3 367.537 2.688 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)CC1 ZINC001328132003 1048192901 /nfs/dbraw/zinc/19/29/01/1048192901.db2.gz RIQLFYUWOYAKRK-JOIKAWEESA-N 1 3 370.541 2.921 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC001332499983 1048422948 /nfs/dbraw/zinc/42/29/48/1048422948.db2.gz PDTIKNKXZBLHHZ-HXUWFJFHSA-N 1 3 352.482 2.510 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329235976 1048628053 /nfs/dbraw/zinc/62/80/53/1048628053.db2.gz JEAXSIBBMHXPQZ-GOSISDBHSA-N 1 3 355.507 2.961 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001329252022 1048635420 /nfs/dbraw/zinc/63/54/20/1048635420.db2.gz IVRLBSQEJFXTCU-MISYRCLQSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001329252022 1048635424 /nfs/dbraw/zinc/63/54/24/1048635424.db2.gz IVRLBSQEJFXTCU-MISYRCLQSA-N 1 3 356.514 2.702 20 0 FFADHO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCN(C)C1 ZINC001294199343 1049707194 /nfs/dbraw/zinc/70/71/94/1049707194.db2.gz UDEGZWFVPYCYBP-WOJBJXKFSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCN(C)C1 ZINC001294199343 1049707198 /nfs/dbraw/zinc/70/71/98/1049707198.db2.gz UDEGZWFVPYCYBP-WOJBJXKFSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN(C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CCN(Cc2ccccc2)CC1 ZINC001341520967 1050152850 /nfs/dbraw/zinc/15/28/50/1050152850.db2.gz GVCCQZMGZQHXKS-HKBOAZHASA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2CCC[NH+]2CCCC2)CC1 ZINC001541562364 1071123287 /nfs/dbraw/zinc/12/32/87/1071123287.db2.gz QIWUMRMBTXAFIB-UHFFFAOYSA-N 1 3 374.577 2.810 20 0 FFADHO Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001339842111 1050262803 /nfs/dbraw/zinc/26/28/03/1050262803.db2.gz VNCRLYQPRJMWGR-LJQANCHMSA-N 1 3 374.577 2.717 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)CC1 ZINC001341887183 1050489969 /nfs/dbraw/zinc/48/99/69/1050489969.db2.gz FXVLFDOVSQBGOK-GKBFQHABSA-N 1 3 370.541 2.892 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccccc3C[NH3+])c(C)c2)CC1 ZINC001340113482 1050518749 /nfs/dbraw/zinc/51/87/49/1050518749.db2.gz RTTIALYKVFVCPJ-UHFFFAOYSA-N 1 3 352.482 2.848 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2c(s1)CNCC2 ZINC001340179361 1050584831 /nfs/dbraw/zinc/58/48/31/1050584831.db2.gz HVQAJEDLDWYWAI-UHFFFAOYSA-N 1 3 361.486 2.737 20 0 FFADHO O=C(c1cccc2c1OCCNC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001340855341 1051192514 /nfs/dbraw/zinc/19/25/14/1051192514.db2.gz VYZNTBCHYZAQHW-SFHVURJKSA-N 1 3 371.525 2.897 20 0 FFADHO CN(C)C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC001343037468 1051652787 /nfs/dbraw/zinc/65/27/87/1051652787.db2.gz BPPNLVIYVGJSGA-HXUWFJFHSA-N 1 3 355.457 2.547 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc3c2OCCNC3)C1 ZINC001343376756 1052193764 /nfs/dbraw/zinc/19/37/64/1052193764.db2.gz MHIAEDPSWUGOEN-IRXDYDNUSA-N 1 3 359.514 2.657 20 0 FFADHO C[C@H]1CN(CCCCNC(=O)CCCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC001343396417 1052204708 /nfs/dbraw/zinc/20/47/08/1052204708.db2.gz YMQOBDLKHHTXDE-ROUUACIJSA-N 1 3 353.551 2.552 20 0 FFADHO CCC[N@@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001307044360 1052244528 /nfs/dbraw/zinc/24/45/28/1052244528.db2.gz ZABOFWUSAGUGDI-KRWDZBQOSA-N 1 3 374.577 2.808 20 0 FFADHO CCC[N@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001307044360 1052244536 /nfs/dbraw/zinc/24/45/36/1052244536.db2.gz ZABOFWUSAGUGDI-KRWDZBQOSA-N 1 3 374.577 2.808 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)c1ccccc1 ZINC001308119061 1052411817 /nfs/dbraw/zinc/41/18/17/1052411817.db2.gz MZKWXZXLQKASJL-DNVBULBTSA-N 1 3 353.510 2.550 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)c1ccccc1 ZINC001308119061 1052411821 /nfs/dbraw/zinc/41/18/21/1052411821.db2.gz MZKWXZXLQKASJL-DNVBULBTSA-N 1 3 353.510 2.550 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(Br)cc1F ZINC001308460466 1052458202 /nfs/dbraw/zinc/45/82/02/1052458202.db2.gz ADILBBWQANBKPG-ZDUSSCGKSA-N 1 3 360.315 2.950 20 0 FFADHO CC(C)CCN1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001308807262 1052502604 /nfs/dbraw/zinc/50/26/04/1052502604.db2.gz RWKMQEDJHJHQTE-SFHVURJKSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001344126675 1052613356 /nfs/dbraw/zinc/61/33/56/1052613356.db2.gz XKDLKYCYBAGGTP-OALUTQOASA-N 1 3 374.577 2.808 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001346104628 1052749846 /nfs/dbraw/zinc/74/98/46/1052749846.db2.gz CCJYGGMZVPMHOO-DFQSSKMNSA-N 1 3 361.505 2.900 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](Cc4ccccc4)CC3=O)C[C@H]2C1 ZINC001334748740 1053058765 /nfs/dbraw/zinc/05/87/65/1053058765.db2.gz RESIQBDYGDHIGO-XRXFAXGQSA-N 1 3 355.526 2.697 20 0 FFADHO COCCn1c(C)c(C)n(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001335251161 1053269268 /nfs/dbraw/zinc/26/92/68/1053269268.db2.gz ACCQRWAVDKYDDJ-OKZBNKHCSA-N 1 3 366.575 2.902 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335361854 1053315195 /nfs/dbraw/zinc/31/51/95/1053315195.db2.gz USNMZIJMDDJZAG-IBGZPJMESA-N 1 3 356.514 2.655 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC1CC2(CC([NH3+])C2)C1)c1cccc(OC)c1 ZINC001335366954 1053318845 /nfs/dbraw/zinc/31/88/45/1053318845.db2.gz JMHGKOAORDQFKV-HNSLBZJHSA-N 1 3 374.529 2.647 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H](n2cncn2)C1 ZINC001346870330 1053396901 /nfs/dbraw/zinc/39/69/01/1053396901.db2.gz XGXTVABYFMHHRZ-UIFIKXQLSA-N 1 3 368.529 2.905 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC001335539335 1053421706 /nfs/dbraw/zinc/42/17/06/1053421706.db2.gz RUFPYIVEEWIYAH-ZVZYQTTQSA-N 1 3 364.559 2.638 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC001336014904 1053706518 /nfs/dbraw/zinc/70/65/18/1053706518.db2.gz AEJJAEIIIUKQLS-HOCLYGCPSA-N 1 3 371.319 2.510 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC2)CC1 ZINC001336872524 1054305552 /nfs/dbraw/zinc/30/55/52/1054305552.db2.gz YXTPLVNQYFYSCU-HXUWFJFHSA-N 1 3 370.541 2.628 20 0 FFADHO C[C@@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCCC[C@@H]1O ZINC000849096761 1055639162 /nfs/dbraw/zinc/63/91/62/1055639162.db2.gz QYRWGCPGMUDEGY-FPOVZHCZSA-N 1 3 358.530 2.706 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(N)ccn1)c1cccc(OC)c1 ZINC001350186335 1055663618 /nfs/dbraw/zinc/66/36/18/1055663618.db2.gz FHLWUXXYBHQWAC-LJQANCHMSA-N 1 3 371.485 2.555 20 0 FFADHO CCOC(=O)N1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001200096538 1055687610 /nfs/dbraw/zinc/68/76/10/1055687610.db2.gz UUQJXXOZLHXPRG-LJQANCHMSA-N 1 3 359.514 2.762 20 0 FFADHO CN(C)CCN(C(=O)c1cnc(CC2CC[NH2+]CC2)s1)c1ccccc1 ZINC001357383833 1055886231 /nfs/dbraw/zinc/88/62/31/1055886231.db2.gz AEASCKGWISRYOU-UHFFFAOYSA-N 1 3 372.538 2.894 20 0 FFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@]34C[C@H]3CCCN4)cc2)CC1 ZINC001353561786 1056535906 /nfs/dbraw/zinc/53/59/06/1056535906.db2.gz VOYTYCDCJSRSLD-UTKZUKDTSA-N 1 3 356.514 2.545 20 0 FFADHO CN(C(=S)NCCN1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001200431914 1056676928 /nfs/dbraw/zinc/67/69/28/1056676928.db2.gz RCWDYAOIOBERMM-FQEVSTJZSA-N 1 3 374.598 2.943 20 0 FFADHO CN(C(=S)NCCN1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001200431914 1056676931 /nfs/dbraw/zinc/67/69/31/1056676931.db2.gz RCWDYAOIOBERMM-FQEVSTJZSA-N 1 3 374.598 2.943 20 0 FFADHO CC1CC[NH+](CCn2c(C3CC3)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001544522030 1071655107 /nfs/dbraw/zinc/65/51/07/1071655107.db2.gz YEBOJFMKUWDRCI-UHFFFAOYSA-N 1 3 374.577 2.808 20 0 FFADHO CCOCCC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849108242 1056763240 /nfs/dbraw/zinc/76/32/40/1056763240.db2.gz NAWYVOLDHFQFHZ-UHFFFAOYSA-N 1 3 358.530 2.972 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001513049429 1058175546 /nfs/dbraw/zinc/17/55/46/1058175546.db2.gz SJTSTWLMYPHADA-PKOBYXMFSA-N 1 3 374.577 2.665 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001513049429 1058175553 /nfs/dbraw/zinc/17/55/53/1058175553.db2.gz SJTSTWLMYPHADA-PKOBYXMFSA-N 1 3 374.577 2.665 20 0 FFADHO CC[N@@H+]1CCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001502286750 1058807134 /nfs/dbraw/zinc/80/71/34/1058807134.db2.gz SEYYGDNPOMQNFR-KRWDZBQOSA-N 1 3 360.550 2.560 20 0 FFADHO CC[N@H+]1CCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001502286750 1058807152 /nfs/dbraw/zinc/80/71/52/1058807152.db2.gz SEYYGDNPOMQNFR-KRWDZBQOSA-N 1 3 360.550 2.560 20 0 FFADHO CN(CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)CC(C)(C)C ZINC001449370069 1058901776 /nfs/dbraw/zinc/90/17/76/1058901776.db2.gz AHUQTFGIYPUTTP-SFHVURJKSA-N 1 3 369.594 2.684 20 0 FFADHO CCc1nnc(N2CCN(CC3CC3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001546540342 1071835892 /nfs/dbraw/zinc/83/58/92/1071835892.db2.gz LMLDDPKSOFBAHG-IBGZPJMESA-N 1 3 374.577 2.637 20 0 FFADHO CCc1nnc(N2CCN(CC3CC3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001546540342 1071835909 /nfs/dbraw/zinc/83/59/09/1071835909.db2.gz LMLDDPKSOFBAHG-IBGZPJMESA-N 1 3 374.577 2.637 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC3CC3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001515820415 1059815547 /nfs/dbraw/zinc/81/55/47/1059815547.db2.gz CWLARHKFWVDQQK-QZTJIDSGSA-N 1 3 374.577 2.635 20 0 FFADHO CC(C)C[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC2CC2)CC1)[NH+](C)C ZINC001509108423 1060006128 /nfs/dbraw/zinc/00/61/28/1060006128.db2.gz AXSFSEADQKCYRT-IBGZPJMESA-N 1 3 374.577 2.664 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC001459657843 1060787900 /nfs/dbraw/zinc/78/79/00/1060787900.db2.gz QHRDRDRSDXLQPB-XDNAFOTISA-N 1 3 351.535 2.906 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC001459657843 1060787914 /nfs/dbraw/zinc/78/79/14/1060787914.db2.gz QHRDRDRSDXLQPB-XDNAFOTISA-N 1 3 351.535 2.906 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc2c(s1)CNCC2 ZINC001521541186 1060949246 /nfs/dbraw/zinc/94/92/46/1060949246.db2.gz STEBGYWFIHCIBS-UHFFFAOYSA-N 1 3 361.486 2.737 20 0 FFADHO C[NH+](C)Cc1ccc(CN2CCCCC[C@H]2CO)c2c1OC(F)(F)O2 ZINC001462398283 1061606974 /nfs/dbraw/zinc/60/69/74/1061606974.db2.gz AGIROZGCTQNQMH-HNNXBMFYSA-N 1 3 356.413 2.807 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001479470152 1062443764 /nfs/dbraw/zinc/44/37/64/1062443764.db2.gz HHIAHYIYDRVODD-JKSUJKDBSA-N 1 3 364.559 2.700 20 0 FFADHO CCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001546447467 1062544401 /nfs/dbraw/zinc/54/44/01/1062544401.db2.gz YFUCBQDEOJRIGF-SJORKVTESA-N 1 3 362.566 2.634 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001464634602 1062730562 /nfs/dbraw/zinc/73/05/62/1062730562.db2.gz BHYOCQRYKIPLGW-UHFFFAOYSA-N 1 3 371.447 2.937 20 0 FFADHO CC[C@H](C)N1CCN(c2nnc([C@H]3CCC[N@H+](C)C3)n2CC(C)C)CC1 ZINC001524836910 1063013792 /nfs/dbraw/zinc/01/37/92/1063013792.db2.gz ANSXPROSVYKMMP-ROUUACIJSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@H](C)N1CCN(c2nnc([C@H]3CCC[N@@H+](C)C3)n2CC(C)C)CC1 ZINC001524836910 1063013815 /nfs/dbraw/zinc/01/38/15/1063013815.db2.gz ANSXPROSVYKMMP-ROUUACIJSA-N 1 3 362.566 2.664 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC001497586488 1063729830 /nfs/dbraw/zinc/72/98/30/1063729830.db2.gz VTHDWCCDWIAMRO-MMOQLGGJSA-N 1 3 361.917 2.930 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC001497586488 1063729835 /nfs/dbraw/zinc/72/98/35/1063729835.db2.gz VTHDWCCDWIAMRO-MMOQLGGJSA-N 1 3 361.917 2.930 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)N2CCCC2)c1 ZINC001468030226 1063915525 /nfs/dbraw/zinc/91/55/25/1063915525.db2.gz AYAUKCSZHPZTEE-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)N2CCCC2)c1 ZINC001468030226 1063915538 /nfs/dbraw/zinc/91/55/38/1063915538.db2.gz AYAUKCSZHPZTEE-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC001469319328 1064126569 /nfs/dbraw/zinc/12/65/69/1064126569.db2.gz UCVLRRAFKWQGAO-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO COc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC001470772560 1064446734 /nfs/dbraw/zinc/44/67/34/1064446734.db2.gz RISLJZADUPHGKN-IRXDYDNUSA-N 1 3 364.534 2.636 20 0 FFADHO COc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC001470772560 1064446741 /nfs/dbraw/zinc/44/67/41/1064446741.db2.gz RISLJZADUPHGKN-IRXDYDNUSA-N 1 3 364.534 2.636 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001471108531 1064562385 /nfs/dbraw/zinc/56/23/85/1064562385.db2.gz DLOZQQXPALHMII-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001471108531 1064562401 /nfs/dbraw/zinc/56/24/01/1064562401.db2.gz DLOZQQXPALHMII-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(C)CCN1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2(C)CC2)CC1 ZINC001575133222 1078110072 /nfs/dbraw/zinc/11/00/72/1078110072.db2.gz SXQHTJASLVZFJB-CALCHBBNSA-N 1 3 374.577 2.841 20 0 FFADHO CC(C)[C@H](Cn1c([C@@H]2CCCN2)nnc1N1CCC[C@@H]1C)[NH+]1CCCC1 ZINC001575441688 1078140575 /nfs/dbraw/zinc/14/05/75/1078140575.db2.gz IGJFVEZMENAZNO-BZSNNMDCSA-N 1 3 360.550 2.812 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CNCc1c(C(C)C)nc2sc(C)nn12 ZINC001474065512 1065450268 /nfs/dbraw/zinc/45/02/68/1065450268.db2.gz DRDMMUWPBKQNCQ-CQSZACIVSA-N 1 3 353.536 2.669 20 0 FFADHO CCOC(=O)N1CCC(C)(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC001474685833 1065578406 /nfs/dbraw/zinc/57/84/06/1065578406.db2.gz DGFHRKUITKDSCN-QGZVFWFLSA-N 1 3 360.502 2.851 20 0 FFADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)CC1 ZINC001474685833 1065578413 /nfs/dbraw/zinc/57/84/13/1065578413.db2.gz DGFHRKUITKDSCN-QGZVFWFLSA-N 1 3 360.502 2.851 20 0 FFADHO CCOC(=O)N1CCC(C)(C[N@H+]2CCN(c3ccncc3)[C@H](C)C2)CC1 ZINC001474685833 1065578422 /nfs/dbraw/zinc/57/84/22/1065578422.db2.gz DGFHRKUITKDSCN-QGZVFWFLSA-N 1 3 360.502 2.851 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC001576517118 1078237953 /nfs/dbraw/zinc/23/79/53/1078237953.db2.gz YKIBPHNZEZZVCZ-CTNGQTDRSA-N 1 3 358.530 2.730 20 0 FFADHO CC[C@H](C)c1nnc(N2CC[C@H]([NH3+])C2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001577023030 1078295754 /nfs/dbraw/zinc/29/57/54/1078295754.db2.gz WGXKSOQYUGBNOU-WBAXXEDZSA-N 1 3 374.508 2.771 20 0 FFADHO Cc1ccc(CCN(Cc2ccco2)C[C@@H]2CC3(C[NH2+]C3)C(=O)O2)cc1 ZINC001579685071 1078662803 /nfs/dbraw/zinc/66/28/03/1078662803.db2.gz ATKOWRZJUMYGOO-IBGZPJMESA-N 1 3 354.450 2.538 20 0 FFADHO Cc1nn(-c2cccc(C)c2)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001579746917 1078674550 /nfs/dbraw/zinc/67/45/50/1078674550.db2.gz DUOLZSJLHBHUSW-RTWAWAEBSA-N 1 3 354.498 2.817 20 0 FFADHO Cn1ncc(C[NH3+])c1CN[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC001580002550 1078731012 /nfs/dbraw/zinc/73/10/12/1078731012.db2.gz YVZDKPCZRUZIGI-ZDUSSCGKSA-N 1 3 354.285 2.554 20 0 FFADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C12CCOCC2 ZINC001580164716 1078759035 /nfs/dbraw/zinc/75/90/35/1078759035.db2.gz RJMFQQWWIZIUFY-KBRIMQKVSA-N 1 3 353.869 2.544 20 0 FFADHO [NH3+]CCCN(CCC(=O)N1CCOc2ccccc21)Cc1ccccc1 ZINC001580297062 1078782550 /nfs/dbraw/zinc/78/25/50/1078782550.db2.gz GHBHBWHHOYUXBA-UHFFFAOYSA-N 1 3 353.466 2.653 20 0 FFADHO O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC001580745745 1078853306 /nfs/dbraw/zinc/85/33/06/1078853306.db2.gz WSSNAMUXJFHZIJ-FDFHNCONSA-N 1 3 363.505 2.913 20 0 FFADHO CN(C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001550282682 1074197384 /nfs/dbraw/zinc/19/73/84/1074197384.db2.gz QEHDPSUAGXAOED-VTHDOGFWSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(-c3ccco3)s1)C2 ZINC001550421880 1074260134 /nfs/dbraw/zinc/26/01/34/1074260134.db2.gz HRNOYKUJTPCUPE-HIRMHNASSA-N 1 3 361.511 2.972 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(-c3ccco3)s1)C2 ZINC001550421880 1074260136 /nfs/dbraw/zinc/26/01/36/1074260136.db2.gz HRNOYKUJTPCUPE-HIRMHNASSA-N 1 3 361.511 2.972 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3nccc4c3CCCC4)C2)[C@@H]1C(C)C ZINC001550424161 1074263945 /nfs/dbraw/zinc/26/39/45/1074263945.db2.gz YRQOIIADEOXTAD-QESAQDPVSA-N 1 3 357.542 2.920 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3nccc4c3CCCC4)C2)[C@@H]1C(C)C ZINC001550424161 1074263949 /nfs/dbraw/zinc/26/39/49/1074263949.db2.gz YRQOIIADEOXTAD-QESAQDPVSA-N 1 3 357.542 2.920 20 0 FFADHO Cn1nccc1[C@H]1[C@@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCCN1C ZINC001550473870 1074291349 /nfs/dbraw/zinc/29/13/49/1074291349.db2.gz RXNRSGHVSBCNQQ-ANTGDGSKSA-N 1 3 359.562 2.561 20 0 FFADHO Cn1nccc1[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001550516348 1074328210 /nfs/dbraw/zinc/32/82/10/1074328210.db2.gz GRIQJKCEBVUHLP-PMACEKPBSA-N 1 3 353.514 2.953 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550669736 1074427489 /nfs/dbraw/zinc/42/74/89/1074427489.db2.gz ZWXNBMXXAKJZHR-JKBKZWBZSA-N 1 3 362.562 2.824 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550669736 1074427494 /nfs/dbraw/zinc/42/74/94/1074427494.db2.gz ZWXNBMXXAKJZHR-JKBKZWBZSA-N 1 3 362.562 2.824 20 0 FFADHO CC1(C[NH3+])CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC001550746518 1074456347 /nfs/dbraw/zinc/45/63/47/1074456347.db2.gz VWSOKRPPOFHHMF-UHFFFAOYSA-N 1 3 373.545 2.500 20 0 FFADHO O=C1CC[C@H](NCc2cc(Cl)ccc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC001550913253 1074529956 /nfs/dbraw/zinc/52/99/56/1074529956.db2.gz MWXSRRWKLSLWQD-RDJZCZTQSA-N 1 3 356.297 2.730 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC001551238462 1074659065 /nfs/dbraw/zinc/65/90/65/1074659065.db2.gz VHEWOFIXSRGFMX-UHFFFAOYSA-N 1 3 372.557 2.669 20 0 FFADHO CCN1CC[C@@H]2OCCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC001552061590 1074918574 /nfs/dbraw/zinc/91/85/74/1074918574.db2.gz AWLRREOFIAOIMW-SFTDATJTSA-N 1 3 371.525 2.608 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC001552152148 1075003810 /nfs/dbraw/zinc/00/38/10/1075003810.db2.gz DGVPDEZUDCRODD-NJYVYQBISA-N 1 3 355.526 2.884 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001552396554 1075072580 /nfs/dbraw/zinc/07/25/80/1075072580.db2.gz RBNZJCXGXGFPEJ-AABGKKOBSA-N 1 3 353.441 2.622 20 0 FFADHO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc2c(s1)CCNC2 ZINC001552431018 1075074650 /nfs/dbraw/zinc/07/46/50/1075074650.db2.gz ZYHZNZGRJLFJFN-DOTOQJQBSA-N 1 3 373.497 2.656 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@]([NH3+])(c3ccccc3)C2)s1 ZINC001553558400 1075330731 /nfs/dbraw/zinc/33/07/31/1075330731.db2.gz TXULGZIVNXQWKH-IBGZPJMESA-N 1 3 358.511 2.579 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001565435115 1076729070 /nfs/dbraw/zinc/72/90/70/1076729070.db2.gz WDICVEQPABXNLN-DLBZAZTESA-N 1 3 352.910 2.726 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001565435115 1076729073 /nfs/dbraw/zinc/72/90/73/1076729073.db2.gz WDICVEQPABXNLN-DLBZAZTESA-N 1 3 352.910 2.726 20 0 FFADHO CC(C)OCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001565972535 1076820355 /nfs/dbraw/zinc/82/03/55/1076820355.db2.gz FDZCINFKXITOOE-MSOLQXFVSA-N 1 3 355.567 2.606 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001566054696 1076882132 /nfs/dbraw/zinc/88/21/32/1076882132.db2.gz GOJSUPBLWCLMGY-RTWAWAEBSA-N 1 3 370.541 2.546 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C)N1CCCC1 ZINC001566115803 1076920040 /nfs/dbraw/zinc/92/00/40/1076920040.db2.gz QZSCWARSPCVXIZ-HLAWJBBLSA-N 1 3 357.542 2.929 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H]1C)N1CCCC1 ZINC001566115803 1076920044 /nfs/dbraw/zinc/92/00/44/1076920044.db2.gz QZSCWARSPCVXIZ-HLAWJBBLSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@](C)(CNCc2cc(F)ccc2F)C2CC2)CC[N@@H+]1C ZINC001568020007 1077067559 /nfs/dbraw/zinc/06/75/59/1077067559.db2.gz NDDLRSYXJWEUCK-DUXSXAKTSA-N 1 3 365.468 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@](C)(CNCc2cc(F)ccc2F)C2CC2)CC[N@H+]1C ZINC001568020007 1077067563 /nfs/dbraw/zinc/06/75/63/1077067563.db2.gz NDDLRSYXJWEUCK-DUXSXAKTSA-N 1 3 365.468 2.680 20 0 FFADHO CN(C)[C@H](CNC(=O)c1cccc(CC[NH+](C)C)c1)Cc1ccccc1 ZINC001587431891 1079790741 /nfs/dbraw/zinc/79/07/41/1079790741.db2.gz QLCKRRHURYUUSM-NRFANRHFSA-N 1 3 353.510 2.693 20 0 FFADHO CCN1CCN(CCCNC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000101641716 250085137 /nfs/dbraw/zinc/08/51/37/250085137.db2.gz ZORYHBKEWYVOSJ-UHFFFAOYSA-N 1 3 374.573 2.674 20 0 FFADHO CCN1CCN(CCCNC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000101641716 250085140 /nfs/dbraw/zinc/08/51/40/250085140.db2.gz ZORYHBKEWYVOSJ-UHFFFAOYSA-N 1 3 374.573 2.674 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000103604275 250158738 /nfs/dbraw/zinc/15/87/38/250158738.db2.gz MRHULGNARKPNOZ-FQEVSTJZSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[N@H+](C)C1CC1 ZINC000105209263 250202815 /nfs/dbraw/zinc/20/28/15/250202815.db2.gz QRKWQMVJDKEMSI-CVEARBPZSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[N@@H+](C)C1CC1 ZINC000105209263 250202817 /nfs/dbraw/zinc/20/28/17/250202817.db2.gz QRKWQMVJDKEMSI-CVEARBPZSA-N 1 3 364.559 2.742 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000105209302 250203101 /nfs/dbraw/zinc/20/31/01/250203101.db2.gz KQOLOOUEHFGALM-KRWDZBQOSA-N 1 3 364.559 2.601 20 0 FFADHO CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000192545498 251285371 /nfs/dbraw/zinc/28/53/71/251285371.db2.gz IGQQSYITOAIRML-UHFFFAOYSA-N 1 3 355.526 2.984 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000251699790 251301179 /nfs/dbraw/zinc/30/11/79/251301179.db2.gz IZUHFCCEBTXCRE-FPOVZHCZSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000267399998 251345876 /nfs/dbraw/zinc/34/58/76/251345876.db2.gz YGQNSYIIYIZEKL-TYPHKJRUSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000267399998 251345880 /nfs/dbraw/zinc/34/58/80/251345880.db2.gz YGQNSYIIYIZEKL-TYPHKJRUSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccco1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272425518 252036973 /nfs/dbraw/zinc/03/69/73/252036973.db2.gz HBVYRAUGTMLBEG-ZIFCJYIRSA-N 1 3 355.482 2.785 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000272656102 252093834 /nfs/dbraw/zinc/09/38/34/252093834.db2.gz GSSJSXDIYJIMDX-CIAFKFPVSA-N 1 3 358.526 2.664 20 0 FFADHO C[C@H]([NH2+]CCNC(=O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272697501 252106115 /nfs/dbraw/zinc/10/61/15/252106115.db2.gz XLAIADKFDXKWFQ-GHTZIAJQSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@H](NCCNC(=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272697501 252106119 /nfs/dbraw/zinc/10/61/19/252106119.db2.gz XLAIADKFDXKWFQ-GHTZIAJQSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@H](NCCNC(=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272697501 252106123 /nfs/dbraw/zinc/10/61/23/252106123.db2.gz XLAIADKFDXKWFQ-GHTZIAJQSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272720720 252112769 /nfs/dbraw/zinc/11/27/69/252112769.db2.gz JAAREEKNYMQQRK-SJORKVTESA-N 1 3 371.529 2.557 20 0 FFADHO C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272720720 252112773 /nfs/dbraw/zinc/11/27/73/252112773.db2.gz JAAREEKNYMQQRK-SJORKVTESA-N 1 3 371.529 2.557 20 0 FFADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000273301099 252276563 /nfs/dbraw/zinc/27/65/63/252276563.db2.gz RKASUYNIBIDLET-OZOXKJRCSA-N 1 3 374.525 2.872 20 0 FFADHO O=C(NC1CC[NH+](C2CC2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000045410295 208334084 /nfs/dbraw/zinc/33/40/84/208334084.db2.gz LNYMBKJKZQMMDC-UHFFFAOYSA-N 1 3 356.514 2.531 20 0 FFADHO c1cn2c(n1)CC[C@@H](C[NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000275597859 256028013 /nfs/dbraw/zinc/02/80/13/256028013.db2.gz QDDJOWCNXOIISG-TUFLPTIASA-N 1 3 350.510 2.946 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278531319 256322940 /nfs/dbraw/zinc/32/29/40/256322940.db2.gz FBWMWNYFWAAGMC-FGZHOGPDSA-N 1 3 359.558 2.941 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278531319 256322942 /nfs/dbraw/zinc/32/29/42/256322942.db2.gz FBWMWNYFWAAGMC-FGZHOGPDSA-N 1 3 359.558 2.941 20 0 FFADHO CCOc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000278554865 256324685 /nfs/dbraw/zinc/32/46/85/256324685.db2.gz VMNDMKMYYJJXHZ-UHFFFAOYSA-N 1 3 373.472 2.806 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000278605316 256330212 /nfs/dbraw/zinc/33/02/12/256330212.db2.gz RBUWDWBMEDHYSO-ROUUACIJSA-N 1 3 359.514 2.965 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000278605316 256330214 /nfs/dbraw/zinc/33/02/14/256330214.db2.gz RBUWDWBMEDHYSO-ROUUACIJSA-N 1 3 359.514 2.965 20 0 FFADHO CC1CC[NH+](CCN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000285796563 257005330 /nfs/dbraw/zinc/00/53/30/257005330.db2.gz FPSRAFRQEKCMBU-HSZRJFAPSA-N 1 3 370.585 2.610 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000289388409 257278157 /nfs/dbraw/zinc/27/81/57/257278157.db2.gz DNXRIKHIGAKXMG-UHFFFAOYSA-N 1 3 353.514 2.536 20 0 FFADHO COCCCOc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289905184 257305803 /nfs/dbraw/zinc/30/58/03/257305803.db2.gz USEQKYCYHCKTMR-UHFFFAOYSA-N 1 3 363.546 2.560 20 0 FFADHO COc1cc(CNCC2=CC[N@H+](C)CC2)cc(OC)c1OCC(F)F ZINC000289969017 257309268 /nfs/dbraw/zinc/30/92/68/257309268.db2.gz CYMXSXDNWIMHFD-UHFFFAOYSA-N 1 3 356.413 2.699 20 0 FFADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)cc(OC)c1OCC(F)F ZINC000289969017 257309269 /nfs/dbraw/zinc/30/92/69/257309269.db2.gz CYMXSXDNWIMHFD-UHFFFAOYSA-N 1 3 356.413 2.699 20 0 FFADHO CC[C@H](NCc1ccncc1OCCC[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000290456766 257332672 /nfs/dbraw/zinc/33/26/72/257332672.db2.gz WHGRZAZNHJXYBE-SFHVURJKSA-N 1 3 363.502 2.624 20 0 FFADHO Cn1ncc(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000293734929 257559129 /nfs/dbraw/zinc/55/91/29/257559129.db2.gz ORDNPRVYWNNKPI-CEWLAPEOSA-N 1 3 353.514 2.638 20 0 FFADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000293939301 257567634 /nfs/dbraw/zinc/56/76/34/257567634.db2.gz YMWUVOWSCDSZPK-MRXNPFEDSA-N 1 3 361.486 2.531 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cnc21 ZINC000333136661 258251750 /nfs/dbraw/zinc/25/17/50/258251750.db2.gz KIJIHPZZHKITJZ-RBUKOAKNSA-N 1 3 357.502 2.731 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000369047719 512201762 /nfs/dbraw/zinc/20/17/62/512201762.db2.gz OULBSGMOGPQWCB-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)Cc1ccccc1 ZINC000042911031 506678617 /nfs/dbraw/zinc/67/86/17/506678617.db2.gz CFWWQCCMFBGSES-SFHVURJKSA-N 1 3 360.546 2.768 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000067685230 506974194 /nfs/dbraw/zinc/97/41/94/506974194.db2.gz XEDNBFAVZJXOGV-HXUWFJFHSA-N 1 3 372.557 2.723 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000067685230 506974201 /nfs/dbraw/zinc/97/42/01/506974201.db2.gz XEDNBFAVZJXOGV-HXUWFJFHSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057205894 507205585 /nfs/dbraw/zinc/20/55/85/507205585.db2.gz UYDICBMFHZPOEB-QGZVFWFLSA-N 1 3 360.546 2.768 20 0 FFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000377559481 512326407 /nfs/dbraw/zinc/32/64/07/512326407.db2.gz CXNUJBFNJTXKMJ-AEFFLSMTSA-N 1 3 357.502 2.572 20 0 FFADHO CSc1ccc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000411223783 512529003 /nfs/dbraw/zinc/52/90/03/512529003.db2.gz IGURDXRKMYZSHA-QGZVFWFLSA-N 1 3 352.544 2.953 20 0 FFADHO CC[NH+](CC)CC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000047978673 507428127 /nfs/dbraw/zinc/42/81/27/507428127.db2.gz ZETOLAOMYHYEGD-UHFFFAOYSA-N 1 3 357.498 2.727 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371336683 512338706 /nfs/dbraw/zinc/33/87/06/512338706.db2.gz QIMOMOUWFQBYQF-YJBOKZPZSA-N 1 3 353.457 2.746 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371336683 512338711 /nfs/dbraw/zinc/33/87/11/512338711.db2.gz QIMOMOUWFQBYQF-YJBOKZPZSA-N 1 3 353.457 2.746 20 0 FFADHO CSc1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000411223783 512529007 /nfs/dbraw/zinc/52/90/07/512529007.db2.gz IGURDXRKMYZSHA-QGZVFWFLSA-N 1 3 352.544 2.953 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3ccc(F)cc3)CC2)CC1 ZINC000050803112 507715940 /nfs/dbraw/zinc/71/59/40/507715940.db2.gz LCQLYUCWBJDKSD-UHFFFAOYSA-N 1 3 365.518 2.593 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(Cl)s3)CC2)CC1 ZINC000051267665 507754717 /nfs/dbraw/zinc/75/47/17/507754717.db2.gz SQZHZNLYNPUCRB-UHFFFAOYSA-N 1 3 370.950 2.759 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000051299489 507760157 /nfs/dbraw/zinc/76/01/57/507760157.db2.gz UKDWZYXZBDYOEY-UXHICEINSA-N 1 3 374.504 2.539 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000051761124 507783112 /nfs/dbraw/zinc/78/31/12/507783112.db2.gz ZAGGOAPRBHBVOJ-IBGZPJMESA-N 1 3 370.541 2.744 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N(C)C ZINC000106911811 507828434 /nfs/dbraw/zinc/82/84/34/507828434.db2.gz WFFVJKAZDPYZAK-IEBWSBKVSA-N 1 3 359.514 2.677 20 0 FFADHO CN(Cc1ccc(Br)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377632603 512366478 /nfs/dbraw/zinc/36/64/78/512366478.db2.gz TXRCUTRKSKPBGS-CQSZACIVSA-N 1 3 356.308 2.642 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000108545041 507902226 /nfs/dbraw/zinc/90/22/26/507902226.db2.gz OUSADFXNJWPSCJ-FQEVSTJZSA-N 1 3 358.530 2.814 20 0 FFADHO COc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000090038836 507903763 /nfs/dbraw/zinc/90/37/63/507903763.db2.gz GYYYRAVHLUWFEA-OAHLLOKOSA-N 1 3 373.472 2.977 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108553265 507904142 /nfs/dbraw/zinc/90/41/42/507904142.db2.gz MWYPDRTXRQGWTR-UXHICEINSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108553265 507904146 /nfs/dbraw/zinc/90/41/46/507904146.db2.gz MWYPDRTXRQGWTR-UXHICEINSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000108554479 507904228 /nfs/dbraw/zinc/90/42/28/507904228.db2.gz ODBFWRCGSWZXPI-ZHALLVOQSA-N 1 3 350.551 2.528 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([S@](C)=O)cc1 ZINC000090525987 507926250 /nfs/dbraw/zinc/92/62/50/507926250.db2.gz VARICFYMPJAFQF-YVMWEGPTSA-N 1 3 364.555 2.843 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000073541760 507929559 /nfs/dbraw/zinc/92/95/59/507929559.db2.gz BLGHVOFKPWEDIA-VQTJNVASSA-N 1 3 358.530 2.907 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000073725107 507949582 /nfs/dbraw/zinc/94/95/82/507949582.db2.gz NBHOVQKNIUBXDK-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000073897489 507964794 /nfs/dbraw/zinc/96/47/94/507964794.db2.gz ZRBZGBWEUQGQJM-ICSRJNTNSA-N 1 3 360.546 2.971 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000073897489 507964796 /nfs/dbraw/zinc/96/47/96/507964796.db2.gz ZRBZGBWEUQGQJM-ICSRJNTNSA-N 1 3 360.546 2.971 20 0 FFADHO CCOc1ccc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000073895193 507964947 /nfs/dbraw/zinc/96/49/47/507964947.db2.gz YBPNUUFTRIIEIT-GOSISDBHSA-N 1 3 350.503 2.630 20 0 FFADHO CCOc1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000073895193 507964949 /nfs/dbraw/zinc/96/49/49/507964949.db2.gz YBPNUUFTRIIEIT-GOSISDBHSA-N 1 3 350.503 2.630 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2cccc(C[NH+](C)C)c2)o1 ZINC000079617332 507983207 /nfs/dbraw/zinc/98/32/07/507983207.db2.gz XGHAAQDOQIRZSL-UHFFFAOYSA-N 1 3 372.513 2.923 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000074792559 508055939 /nfs/dbraw/zinc/05/59/39/508055939.db2.gz DAGDDJKINKRDHK-AYHJJNSGSA-N 1 3 362.518 2.677 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000074792559 508055942 /nfs/dbraw/zinc/05/59/42/508055942.db2.gz DAGDDJKINKRDHK-AYHJJNSGSA-N 1 3 362.518 2.677 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074833097 508059389 /nfs/dbraw/zinc/05/93/89/508059389.db2.gz IMWLVTAVEYUVNY-RTWAWAEBSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074833097 508059391 /nfs/dbraw/zinc/05/93/91/508059391.db2.gz IMWLVTAVEYUVNY-RTWAWAEBSA-N 1 3 372.557 2.533 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000092615566 508087491 /nfs/dbraw/zinc/08/74/91/508087491.db2.gz JTHJGUJZYDALPU-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO CN(c1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000371401970 512378915 /nfs/dbraw/zinc/37/89/15/512378915.db2.gz SZGVYWVDPQNDTK-DENIHFKCSA-N 1 3 373.541 2.645 20 0 FFADHO CCN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000111801859 508123404 /nfs/dbraw/zinc/12/34/04/508123404.db2.gz XAIODISVNAZODG-SEJPIABJSA-N 1 3 370.541 2.966 20 0 FFADHO CCN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111801859 508123407 /nfs/dbraw/zinc/12/34/07/508123407.db2.gz XAIODISVNAZODG-SEJPIABJSA-N 1 3 370.541 2.966 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000111819187 508126024 /nfs/dbraw/zinc/12/60/24/508126024.db2.gz KVAUQTOHAWSNNL-FQEVSTJZSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)N(C)C)cc1 ZINC000076319836 508186583 /nfs/dbraw/zinc/18/65/83/508186583.db2.gz KQJKFDLQQZEREN-VQTJNVASSA-N 1 3 361.530 2.507 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000112448275 508186972 /nfs/dbraw/zinc/18/69/72/508186972.db2.gz IIWNGNJQJQTVNA-KRWDZBQOSA-N 1 3 366.575 2.991 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000112448275 508186975 /nfs/dbraw/zinc/18/69/75/508186975.db2.gz IIWNGNJQJQTVNA-KRWDZBQOSA-N 1 3 366.575 2.991 20 0 FFADHO CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)N(C)C ZINC000113235414 508253752 /nfs/dbraw/zinc/25/37/52/508253752.db2.gz OXFAMVGTXHGJSH-PKOBYXMFSA-N 1 3 361.530 2.589 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1N(C)C ZINC000077201419 508286607 /nfs/dbraw/zinc/28/66/07/508286607.db2.gz YIIQRBRQZLGFFA-KRWDZBQOSA-N 1 3 361.534 2.632 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1N(C)C ZINC000077201419 508286610 /nfs/dbraw/zinc/28/66/10/508286610.db2.gz YIIQRBRQZLGFFA-KRWDZBQOSA-N 1 3 361.534 2.632 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077322126 508300505 /nfs/dbraw/zinc/30/05/05/508300505.db2.gz SIAQZELMSMWGSH-SXLOBPIMSA-N 1 3 365.562 2.501 20 0 FFADHO Cc1nc(-c2cccs2)sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211269 508301966 /nfs/dbraw/zinc/30/19/66/508301966.db2.gz AJDRMGMHHZAASU-UHFFFAOYSA-N 1 3 366.556 2.745 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000103211139 508302089 /nfs/dbraw/zinc/30/20/89/508302089.db2.gz XJDRTPVOXVUYAG-UHFFFAOYSA-N 1 3 364.490 2.515 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000104533439 508337791 /nfs/dbraw/zinc/33/77/91/508337791.db2.gz WSBPOMWHZQUDIH-UHFFFAOYSA-N 1 3 370.906 2.622 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)N1CCc2ccccc2C1 ZINC000105126167 508362340 /nfs/dbraw/zinc/36/23/40/508362340.db2.gz KQFHNBSKNZUNNS-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)N1CCc2ccccc2C1 ZINC000105126167 508362341 /nfs/dbraw/zinc/36/23/41/508362341.db2.gz KQFHNBSKNZUNNS-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000077783084 508373322 /nfs/dbraw/zinc/37/33/22/508373322.db2.gz YSVQCQFEOGMMKZ-UHFFFAOYSA-N 1 3 358.486 2.581 20 0 FFADHO CCC[C@H]1CN(CCCn2ccnc2C)CC[N@@H+]1CCCn1ccnc1C ZINC000127452478 508452344 /nfs/dbraw/zinc/45/23/44/508452344.db2.gz XDHKTBYHNWMZIN-NRFANRHFSA-N 1 3 372.561 2.963 20 0 FFADHO CCC[C@H]1CN(CCCn2ccnc2C)CC[N@H+]1CCCn1ccnc1C ZINC000127452478 508452347 /nfs/dbraw/zinc/45/23/47/508452347.db2.gz XDHKTBYHNWMZIN-NRFANRHFSA-N 1 3 372.561 2.963 20 0 FFADHO CCC[C@H]1C[N@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000127452478 508452351 /nfs/dbraw/zinc/45/23/51/508452351.db2.gz XDHKTBYHNWMZIN-NRFANRHFSA-N 1 3 372.561 2.963 20 0 FFADHO CCC[C@H]1C[N@@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000127452478 508452354 /nfs/dbraw/zinc/45/23/54/508452354.db2.gz XDHKTBYHNWMZIN-NRFANRHFSA-N 1 3 372.561 2.963 20 0 FFADHO Cc1cc(Cl)ncc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122233076 508503206 /nfs/dbraw/zinc/50/32/06/508503206.db2.gz PWSLBBXCHHFKFS-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000157241220 508541347 /nfs/dbraw/zinc/54/13/47/508541347.db2.gz YHOASOVUYIXUEV-MRXNPFEDSA-N 1 3 352.548 2.867 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157259841 508543794 /nfs/dbraw/zinc/54/37/94/508543794.db2.gz YLRLZJBFQVGBSG-NHCUHLMSSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC1CCN(C)CC1 ZINC000134635000 508553913 /nfs/dbraw/zinc/55/39/13/508553913.db2.gz PXHUDJBMLNPOFT-IRXDYDNUSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OC(F)F)cc1 ZINC000128163023 508555802 /nfs/dbraw/zinc/55/58/02/508555802.db2.gz FWYKPXLVVDKRLB-ZFWWWQNUSA-N 1 3 355.429 2.526 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CCn3cccn3)cc2)CC1 ZINC000157602367 508586420 /nfs/dbraw/zinc/58/64/20/508586420.db2.gz WWVPYOQIBDOXNQ-LJQANCHMSA-N 1 3 355.530 2.589 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Oc2nccs2)c1 ZINC000135459512 508607846 /nfs/dbraw/zinc/60/78/46/508607846.db2.gz KKWOHSNTDUAFPY-UHFFFAOYSA-N 1 3 362.499 2.501 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCC(C)CC1 ZINC000157915845 508632463 /nfs/dbraw/zinc/63/24/63/508632463.db2.gz LUONXKHOFRWCGT-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)CCN1CCCC1 ZINC000118798811 508675018 /nfs/dbraw/zinc/67/50/18/508675018.db2.gz IEMRYXJLZIYMOT-UHFFFAOYSA-N 1 3 362.518 2.967 20 0 FFADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(CN2CCCC2)c1 ZINC000136817433 508718006 /nfs/dbraw/zinc/71/80/06/508718006.db2.gz LKHVTGWUTFDNEV-LJQANCHMSA-N 1 3 371.525 2.513 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000119096089 508725138 /nfs/dbraw/zinc/72/51/38/508725138.db2.gz GYKQAWZRLWSCNK-RXVVDRJESA-N 1 3 372.557 2.927 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000158933149 508770225 /nfs/dbraw/zinc/77/02/25/508770225.db2.gz AAKZKZSKEMUFOM-DYESRHJHSA-N 1 3 356.514 2.924 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCCN3C)cc2)C1 ZINC000139532197 508789888 /nfs/dbraw/zinc/78/98/88/508789888.db2.gz BAJARLXHERYWEF-XLIONFOSSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCCN3C)cc2)C1 ZINC000139532197 508789892 /nfs/dbraw/zinc/78/98/92/508789892.db2.gz BAJARLXHERYWEF-XLIONFOSSA-N 1 3 358.530 2.812 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154670925 508830744 /nfs/dbraw/zinc/83/07/44/508830744.db2.gz MFGQQHTXXHFYKX-MRXNPFEDSA-N 1 3 350.507 2.787 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000124555013 508850414 /nfs/dbraw/zinc/85/04/14/508850414.db2.gz ZKTKLWXIISQJCQ-CVEARBPZSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000124555013 508850417 /nfs/dbraw/zinc/85/04/17/508850417.db2.gz ZKTKLWXIISQJCQ-CVEARBPZSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124555013 508850419 /nfs/dbraw/zinc/85/04/19/508850419.db2.gz ZKTKLWXIISQJCQ-CVEARBPZSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124555013 508850421 /nfs/dbraw/zinc/85/04/21/508850421.db2.gz ZKTKLWXIISQJCQ-CVEARBPZSA-N 1 3 363.468 2.984 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cc2)CC1 ZINC000119754042 508856771 /nfs/dbraw/zinc/85/67/71/508856771.db2.gz FYXANIFJYVFTGK-LJQANCHMSA-N 1 3 372.557 2.536 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)cc2)CC1 ZINC000119754042 508856775 /nfs/dbraw/zinc/85/67/75/508856775.db2.gz FYXANIFJYVFTGK-LJQANCHMSA-N 1 3 372.557 2.536 20 0 FFADHO CCc1noc(C)c1CN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000131302878 508912829 /nfs/dbraw/zinc/91/28/29/508912829.db2.gz UUBHHPHBVBOKSZ-UHFFFAOYSA-N 1 3 364.534 2.606 20 0 FFADHO CN1CCO[C@H]([C@H](NCC2CC[NH+](C)CC2)c2ccc(Cl)cc2)C1 ZINC000131393438 508925736 /nfs/dbraw/zinc/92/57/36/508925736.db2.gz IQNBMPGVXVVNRG-RBUKOAKNSA-N 1 3 351.922 2.643 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000155222103 508951833 /nfs/dbraw/zinc/95/18/33/508951833.db2.gz NGRSHBGYOLWKHT-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000155222103 508951836 /nfs/dbraw/zinc/95/18/36/508951836.db2.gz NGRSHBGYOLWKHT-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000155314631 508975122 /nfs/dbraw/zinc/97/51/22/508975122.db2.gz DFJGUNUQOMMAGI-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000155314631 508975125 /nfs/dbraw/zinc/97/51/25/508975125.db2.gz DFJGUNUQOMMAGI-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000125707970 509019439 /nfs/dbraw/zinc/01/94/39/509019439.db2.gz NWHDAAFUODQBHE-HOCLYGCPSA-N 1 3 359.436 2.914 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000125769430 509027416 /nfs/dbraw/zinc/02/74/16/509027416.db2.gz WIRVYOALTYUCQC-GDBMZVCRSA-N 1 3 359.436 2.914 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000126004619 509053095 /nfs/dbraw/zinc/05/30/95/509053095.db2.gz AEQLXSLBLFFSNG-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000126026565 509056087 /nfs/dbraw/zinc/05/60/87/509056087.db2.gz CAYWNMRROOYYAJ-GOEBONIOSA-N 1 3 350.894 2.870 20 0 FFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000126026565 509056089 /nfs/dbraw/zinc/05/60/89/509056089.db2.gz CAYWNMRROOYYAJ-GOEBONIOSA-N 1 3 350.894 2.870 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000132932156 509093765 /nfs/dbraw/zinc/09/37/65/509093765.db2.gz VKGJELUDNGRNMF-SJORKVTESA-N 1 3 360.498 2.999 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000151909103 509108306 /nfs/dbraw/zinc/10/83/06/509108306.db2.gz RKACPXIGZOBZIB-SJBKTWHCSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000156269704 509153327 /nfs/dbraw/zinc/15/33/27/509153327.db2.gz SXLVHOFPLVTHAW-LQWHRVPQSA-N 1 3 357.542 2.786 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)CC2)cs1 ZINC000247968076 509203492 /nfs/dbraw/zinc/20/34/92/509203492.db2.gz HAOIRHDVLKGIHT-RDJZCZTQSA-N 1 3 350.576 2.990 20 0 FFADHO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000247977963 509208531 /nfs/dbraw/zinc/20/85/31/509208531.db2.gz LTHOWWSGLBRYRS-GUDVDZBRSA-N 1 3 363.546 2.777 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185518436 509218708 /nfs/dbraw/zinc/21/87/08/509218708.db2.gz RPZPBJLBUBETEO-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000185518436 509218714 /nfs/dbraw/zinc/21/87/14/509218714.db2.gz RPZPBJLBUBETEO-HKUYNNGSSA-N 1 3 358.530 2.775 20 0 FFADHO COc1ccc([C@@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000175959488 509237558 /nfs/dbraw/zinc/23/75/58/509237558.db2.gz GUGGRMDYOPLZEH-KRWDZBQOSA-N 1 3 373.541 2.864 20 0 FFADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248404544 509298156 /nfs/dbraw/zinc/29/81/56/509298156.db2.gz QIXRFKJPLGDFLS-GXRSIYKFSA-N 1 3 360.542 2.910 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404544 509298164 /nfs/dbraw/zinc/29/81/64/509298164.db2.gz QIXRFKJPLGDFLS-GXRSIYKFSA-N 1 3 360.542 2.910 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404544 509298172 /nfs/dbraw/zinc/29/81/72/509298172.db2.gz QIXRFKJPLGDFLS-GXRSIYKFSA-N 1 3 360.542 2.910 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403713 509299030 /nfs/dbraw/zinc/29/90/30/509299030.db2.gz OZIRIVNADPSQDY-LSTDLKDCSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403713 509299038 /nfs/dbraw/zinc/29/90/38/509299038.db2.gz OZIRIVNADPSQDY-LSTDLKDCSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@@H](NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733906 509329844 /nfs/dbraw/zinc/32/98/44/509329844.db2.gz GDAKVDMGEPGGSE-CVEARBPZSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@@H](NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733906 509329851 /nfs/dbraw/zinc/32/98/51/509329851.db2.gz GDAKVDMGEPGGSE-CVEARBPZSA-N 1 3 355.482 2.525 20 0 FFADHO C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185733906 509329858 /nfs/dbraw/zinc/32/98/58/509329858.db2.gz GDAKVDMGEPGGSE-CVEARBPZSA-N 1 3 355.482 2.525 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000248562801 509365831 /nfs/dbraw/zinc/36/58/31/509365831.db2.gz OHFGIQOFJSXTNM-WIYYLYMNSA-N 1 3 370.541 2.681 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000248562801 509365838 /nfs/dbraw/zinc/36/58/38/509365838.db2.gz OHFGIQOFJSXTNM-WIYYLYMNSA-N 1 3 370.541 2.681 20 0 FFADHO O=C(CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)N1CCc2ccccc2C1 ZINC000189049949 509387600 /nfs/dbraw/zinc/38/76/00/509387600.db2.gz LLESWQSROVESJH-LJQANCHMSA-N 1 3 355.526 2.769 20 0 FFADHO O=C(CC[N@H+]1CC[C@H](CN2CCCCC2)C1)N1CCc2ccccc2C1 ZINC000189049949 509387609 /nfs/dbraw/zinc/38/76/09/509387609.db2.gz LLESWQSROVESJH-LJQANCHMSA-N 1 3 355.526 2.769 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163931596 509442937 /nfs/dbraw/zinc/44/29/37/509442937.db2.gz RVYABOASVLRPOP-IRLDBZIGSA-N 1 3 358.574 2.514 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])cc2)CC1 ZINC000236612029 509463926 /nfs/dbraw/zinc/46/39/26/509463926.db2.gz WOLLMEGEIYUMAL-FXAWDEMLSA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])cc2)CC1 ZINC000236612005 509464424 /nfs/dbraw/zinc/46/44/24/509464424.db2.gz WOLLMEGEIYUMAL-YLJYHZDGSA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236674245 509477705 /nfs/dbraw/zinc/47/77/05/509477705.db2.gz LQWGICMHCKZOFR-PMACEKPBSA-N 1 3 369.553 2.965 20 0 FFADHO CC(C)(CNC(=O)[C@H](N)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236687211 509481636 /nfs/dbraw/zinc/48/16/36/509481636.db2.gz DRIMUXBKUYBUHP-HXUWFJFHSA-N 1 3 351.494 2.510 20 0 FFADHO CC(C)(CNC(=O)[C@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236687211 509481643 /nfs/dbraw/zinc/48/16/43/509481643.db2.gz DRIMUXBKUYBUHP-HXUWFJFHSA-N 1 3 351.494 2.510 20 0 FFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OC)c(OCC[NH+](CC)CC)c1 ZINC000236976522 509544110 /nfs/dbraw/zinc/54/41/10/509544110.db2.gz IUPHEKNNWXDNNZ-KDOFPFPSSA-N 1 3 351.491 2.728 20 0 FFADHO Cc1nn(C)c2ncc(CNCc3cccc(OCC[NH+](C)C)c3)cc12 ZINC000236980858 509546466 /nfs/dbraw/zinc/54/64/66/509546466.db2.gz IKZLRZBZGRQMNQ-UHFFFAOYSA-N 1 3 353.470 2.507 20 0 FFADHO CN(C)[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccccc1 ZINC000237133238 509579829 /nfs/dbraw/zinc/57/98/29/509579829.db2.gz ORZFTMJHRZODSV-FQEVSTJZSA-N 1 3 351.494 2.727 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176583102 509596358 /nfs/dbraw/zinc/59/63/58/509596358.db2.gz PEIBLJHPEMFOTB-ZWKOTPCHSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000166428971 509607251 /nfs/dbraw/zinc/60/72/51/509607251.db2.gz VYXHXUZYIKOFCE-BWPNAZKDSA-N 1 3 365.562 2.632 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000186292075 509628636 /nfs/dbraw/zinc/62/86/36/509628636.db2.gz MFUIQERRLCXPOT-NVXWUHKLSA-N 1 3 352.548 2.724 20 0 FFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192798788 509648917 /nfs/dbraw/zinc/64/89/17/509648917.db2.gz WTQXVRPMHNMFSY-HSZRJFAPSA-N 1 3 372.601 2.999 20 0 FFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192798788 509648924 /nfs/dbraw/zinc/64/89/24/509648924.db2.gz WTQXVRPMHNMFSY-HSZRJFAPSA-N 1 3 372.601 2.999 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169140608 509656496 /nfs/dbraw/zinc/65/64/96/509656496.db2.gz BQTJOAHLJVHMMG-UXLLHSPISA-N 1 3 369.431 2.814 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000173596084 509666371 /nfs/dbraw/zinc/66/63/71/509666371.db2.gz ULNJQFFIEPGZHW-RTWAWAEBSA-N 1 3 373.541 2.560 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000249391593 509670002 /nfs/dbraw/zinc/67/00/02/509670002.db2.gz ACSGJFJGBIENEQ-GGPKGHCWSA-N 1 3 367.578 2.798 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000249395249 509670157 /nfs/dbraw/zinc/67/01/57/509670157.db2.gz ATCNSFDGCMZCGU-WAPOTWQKSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249437102 509680302 /nfs/dbraw/zinc/68/03/02/509680302.db2.gz LERHPOLLAZEYLM-ZCNNSNEGSA-N 1 3 361.530 2.589 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000189665838 509689588 /nfs/dbraw/zinc/68/95/88/509689588.db2.gz LDFPOATWNUSFLP-UHFFFAOYSA-N 1 3 358.530 2.561 20 0 FFADHO C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCC[C@H](C)C1 ZINC000249515364 509700563 /nfs/dbraw/zinc/70/05/63/509700563.db2.gz CGOBTROBRZAWBF-ZWKOTPCHSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000249712662 509739389 /nfs/dbraw/zinc/73/93/89/509739389.db2.gz ZBTCLQNOMJKJMD-OAQYLSRUSA-N 1 3 368.525 2.783 20 0 FFADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000249712662 509739391 /nfs/dbraw/zinc/73/93/91/509739391.db2.gz ZBTCLQNOMJKJMD-OAQYLSRUSA-N 1 3 368.525 2.783 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237805207 509740239 /nfs/dbraw/zinc/74/02/39/509740239.db2.gz QGRNCYGEFKNOIC-HKUYNNGSSA-N 1 3 357.523 2.646 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237805207 509740247 /nfs/dbraw/zinc/74/02/47/509740247.db2.gz QGRNCYGEFKNOIC-HKUYNNGSSA-N 1 3 357.523 2.646 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000170756357 509759910 /nfs/dbraw/zinc/75/99/10/509759910.db2.gz CHWBOXXDQJSHKY-PMACEKPBSA-N 1 3 358.530 2.731 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000268115477 509763578 /nfs/dbraw/zinc/76/35/78/509763578.db2.gz KJDJKTBWHUKLKH-PVCSLBTHSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000268115477 509763584 /nfs/dbraw/zinc/76/35/84/509763584.db2.gz KJDJKTBWHUKLKH-PVCSLBTHSA-N 1 3 370.541 2.964 20 0 FFADHO N[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237889286 509763730 /nfs/dbraw/zinc/76/37/30/509763730.db2.gz VOOMNEAHQGTKTH-FPOVZHCZSA-N 1 3 351.494 2.757 20 0 FFADHO N[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237889286 509763734 /nfs/dbraw/zinc/76/37/34/509763734.db2.gz VOOMNEAHQGTKTH-FPOVZHCZSA-N 1 3 351.494 2.757 20 0 FFADHO O[C@H](COc1ccc(Cl)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193081154 509771146 /nfs/dbraw/zinc/77/11/46/509771146.db2.gz WUNIIHJZKQVIEC-SFHVURJKSA-N 1 3 352.906 2.888 20 0 FFADHO CC1(C)CN(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000180164071 509786990 /nfs/dbraw/zinc/78/69/90/509786990.db2.gz KEKKCHBGNDBNEM-PCCBWWKXSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000180164071 509786996 /nfs/dbraw/zinc/78/69/96/509786996.db2.gz KEKKCHBGNDBNEM-PCCBWWKXSA-N 1 3 357.542 2.597 20 0 FFADHO CC1(C)CN(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000180164071 509787002 /nfs/dbraw/zinc/78/70/02/509787002.db2.gz KEKKCHBGNDBNEM-PCCBWWKXSA-N 1 3 357.542 2.597 20 0 FFADHO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCCN1 ZINC000238017825 509800106 /nfs/dbraw/zinc/80/01/06/509800106.db2.gz UABNGHFCFOHLSH-OAQYLSRUSA-N 1 3 357.542 2.980 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000173827619 509801679 /nfs/dbraw/zinc/80/16/79/509801679.db2.gz JIZSTQASXWPGQX-SFTDATJTSA-N 1 3 370.541 2.595 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000173827649 509802485 /nfs/dbraw/zinc/80/24/85/509802485.db2.gz JIZSTQASXWPGQX-RTWAWAEBSA-N 1 3 370.541 2.595 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C)nc2C)CC1 ZINC000186678880 509848497 /nfs/dbraw/zinc/84/84/97/509848497.db2.gz RXFLZTBDJAXKIF-UHFFFAOYSA-N 1 3 360.546 2.759 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000193302264 509858185 /nfs/dbraw/zinc/85/81/85/509858185.db2.gz CDEZEWKPGSDQAC-SNWXZZBVSA-N 1 3 370.585 2.798 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000261748106 510049227 /nfs/dbraw/zinc/04/92/27/510049227.db2.gz IVBSNLFHKJMSMJ-FXAWDEMLSA-N 1 3 356.514 2.675 20 0 FFADHO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000261872744 510095705 /nfs/dbraw/zinc/09/57/05/510095705.db2.gz QXTKHOSFJUFYIW-QGZVFWFLSA-N 1 3 356.514 2.547 20 0 FFADHO CNC(=O)c1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000177495323 510096175 /nfs/dbraw/zinc/09/61/75/510096175.db2.gz WATFQYAOXAHLHS-HDICACEKSA-N 1 3 373.541 2.758 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000177502460 510101128 /nfs/dbraw/zinc/10/11/28/510101128.db2.gz DRKCBCRMKXSAFW-TZIWHRDSSA-N 1 3 372.557 2.820 20 0 FFADHO Cc1nc2ccc(CN3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc2s1 ZINC000261954172 510127379 /nfs/dbraw/zinc/12/73/79/510127379.db2.gz OLHCQHAJXRTEHM-AEFFLSMTSA-N 1 3 372.538 2.685 20 0 FFADHO COc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000268914645 510133553 /nfs/dbraw/zinc/13/35/53/510133553.db2.gz PFHAJAGGLJHCDU-AWEZNQCLSA-N 1 3 353.894 2.951 20 0 FFADHO COc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000268914645 510133560 /nfs/dbraw/zinc/13/35/60/510133560.db2.gz PFHAJAGGLJHCDU-AWEZNQCLSA-N 1 3 353.894 2.951 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000268940769 510150459 /nfs/dbraw/zinc/15/04/59/510150459.db2.gz AEACAVZMSWLBQW-HNNXBMFYSA-N 1 3 369.303 2.709 20 0 FFADHO CC[C@H](c1ccc(Br)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000262027912 510152386 /nfs/dbraw/zinc/15/23/86/510152386.db2.gz YJVLESOZSVVSSJ-GDBMZVCRSA-N 1 3 368.319 2.687 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000193992546 510166276 /nfs/dbraw/zinc/16/62/76/510166276.db2.gz ARXALQXIRYOJTK-UHFFFAOYSA-N 1 3 358.530 2.766 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccc(C(F)F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262121386 510184869 /nfs/dbraw/zinc/18/48/69/510184869.db2.gz CCKMXOMZGAKTDC-RDJZCZTQSA-N 1 3 351.441 2.704 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@H](C)C1 ZINC000245929291 510212775 /nfs/dbraw/zinc/21/27/75/510212775.db2.gz SEAYBDNGKQIBRU-GGPKGHCWSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@H](C)C1 ZINC000245929291 510212785 /nfs/dbraw/zinc/21/27/85/510212785.db2.gz SEAYBDNGKQIBRU-GGPKGHCWSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000177722994 510217406 /nfs/dbraw/zinc/21/74/06/510217406.db2.gz OCEUMSDDLINNRJ-XLIONFOSSA-N 1 3 370.541 2.823 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269269055 510318156 /nfs/dbraw/zinc/31/81/56/510318156.db2.gz QVOXOZVELQWVKB-MOPGFXCFSA-N 1 3 354.498 2.689 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000181288355 510341049 /nfs/dbraw/zinc/34/10/49/510341049.db2.gz KWNVBZDGFMKCQS-QHGAOEGBSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000262680065 510367275 /nfs/dbraw/zinc/36/72/75/510367275.db2.gz WNQRWZIWOJYWBY-LAUBAEHRSA-N 1 3 357.542 2.965 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000171873589 510424292 /nfs/dbraw/zinc/42/42/92/510424292.db2.gz QAEUYWKSHPRUKA-NRFANRHFSA-N 1 3 372.557 2.821 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000171873589 510424301 /nfs/dbraw/zinc/42/43/01/510424301.db2.gz QAEUYWKSHPRUKA-NRFANRHFSA-N 1 3 372.557 2.821 20 0 FFADHO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)nc2)C1 ZINC000269645421 510497011 /nfs/dbraw/zinc/49/70/11/510497011.db2.gz HTBXEJOZTUHYHG-RBUKOAKNSA-N 1 3 371.529 2.567 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C12CCCC2 ZINC000181670101 510530713 /nfs/dbraw/zinc/53/07/13/510530713.db2.gz NNEYEIJWSLNXJC-WOJBJXKFSA-N 1 3 373.541 2.805 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000246520686 510535654 /nfs/dbraw/zinc/53/56/54/510535654.db2.gz XJLVEFIHBIAIFL-HMXCVIKNSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000246520686 510535662 /nfs/dbraw/zinc/53/56/62/510535662.db2.gz XJLVEFIHBIAIFL-HMXCVIKNSA-N 1 3 372.557 2.675 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])N2CCCC2)cc1 ZINC000263116566 510569119 /nfs/dbraw/zinc/56/91/19/510569119.db2.gz APOSKGFGKBNFEU-IRFCIJBXSA-N 1 3 359.514 2.856 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246586775 510570657 /nfs/dbraw/zinc/57/06/57/510570657.db2.gz ZYSASEFYLKASOK-BJLQDIEVSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246586775 510570667 /nfs/dbraw/zinc/57/06/67/510570667.db2.gz ZYSASEFYLKASOK-BJLQDIEVSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246626867 510590451 /nfs/dbraw/zinc/59/04/51/510590451.db2.gz SNMKAIXNRJPWDF-TYPHKJRUSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246626867 510590458 /nfs/dbraw/zinc/59/04/58/510590458.db2.gz SNMKAIXNRJPWDF-TYPHKJRUSA-N 1 3 372.557 2.927 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000175409237 510632658 /nfs/dbraw/zinc/63/26/58/510632658.db2.gz VWXYYMYMXGQEDZ-UHFFFAOYSA-N 1 3 366.575 2.991 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000175409237 510632668 /nfs/dbraw/zinc/63/26/68/510632668.db2.gz VWXYYMYMXGQEDZ-UHFFFAOYSA-N 1 3 366.575 2.991 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1OC ZINC000175490862 510663879 /nfs/dbraw/zinc/66/38/79/510663879.db2.gz ZGZQTORDOXSKJS-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1OC ZINC000175490862 510663882 /nfs/dbraw/zinc/66/38/82/510663882.db2.gz ZGZQTORDOXSKJS-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000191478393 510680183 /nfs/dbraw/zinc/68/01/83/510680183.db2.gz VZTUIPWAPOZVHE-QFIPXVFZSA-N 1 3 364.622 2.991 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175628284 510700778 /nfs/dbraw/zinc/70/07/78/510700778.db2.gz DKRNVTGBYSHTHW-JBACZVJFSA-N 1 3 368.525 2.695 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000175628284 510700786 /nfs/dbraw/zinc/70/07/86/510700786.db2.gz DKRNVTGBYSHTHW-JBACZVJFSA-N 1 3 368.525 2.695 20 0 FFADHO C[C@@H](CC(=O)NC1CCN(CCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000178689133 510723735 /nfs/dbraw/zinc/72/37/35/510723735.db2.gz ZKILCDCSJWXSAV-SFHVURJKSA-N 1 3 357.542 2.836 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172512821 510763093 /nfs/dbraw/zinc/76/30/93/510763093.db2.gz PYHZHRDTVAXPBV-HXUWFJFHSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172512821 510763100 /nfs/dbraw/zinc/76/31/00/510763100.db2.gz PYHZHRDTVAXPBV-HXUWFJFHSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000175773168 510783496 /nfs/dbraw/zinc/78/34/96/510783496.db2.gz IIUJGXPXUVVHMF-IEBWSBKVSA-N 1 3 352.567 2.869 20 0 FFADHO COCc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343577 510793285 /nfs/dbraw/zinc/79/32/85/510793285.db2.gz HCJOYHVRTKALIZ-UHFFFAOYSA-N 1 3 360.502 2.513 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000175846117 510820352 /nfs/dbraw/zinc/82/03/52/510820352.db2.gz RSMPPRNINGVAAD-IBGZPJMESA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000175846117 510820362 /nfs/dbraw/zinc/82/03/62/510820362.db2.gz RSMPPRNINGVAAD-IBGZPJMESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000182315355 510849082 /nfs/dbraw/zinc/84/90/82/510849082.db2.gz XCMSNIWPCDZCBA-WOIUINJBSA-N 1 3 360.542 2.801 20 0 FFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(Cl)nc1 ZINC000270507096 510890501 /nfs/dbraw/zinc/89/05/01/510890501.db2.gz ORGBLQABFWJRJN-INIZCTEOSA-N 1 3 359.905 2.993 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccccc2OCc2cccnc2)CC1(C)C ZINC000282388121 510956897 /nfs/dbraw/zinc/95/68/97/510956897.db2.gz OUJRIXIKSHPHDP-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000297494101 510967242 /nfs/dbraw/zinc/96/72/42/510967242.db2.gz MBWNTOJDOUOEQJ-FQEVSTJZSA-N 1 3 374.529 2.614 20 0 FFADHO Cc1c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000282429032 510974184 /nfs/dbraw/zinc/97/41/84/510974184.db2.gz SZLUJHHEZRAMBJ-MRXNPFEDSA-N 1 3 373.520 2.996 20 0 FFADHO Cc1c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000282429023 510974387 /nfs/dbraw/zinc/97/43/87/510974387.db2.gz SZLUJHHEZRAMBJ-INIZCTEOSA-N 1 3 373.520 2.996 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CN(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1C ZINC000285662686 511001340 /nfs/dbraw/zinc/00/13/40/511001340.db2.gz ZDIYLAPBEDGQNH-SWDXFRIISA-N 1 3 356.514 2.571 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CN(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1C ZINC000285662686 511001342 /nfs/dbraw/zinc/00/13/42/511001342.db2.gz ZDIYLAPBEDGQNH-SWDXFRIISA-N 1 3 356.514 2.571 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2oc(C)nc21 ZINC000279480718 511098389 /nfs/dbraw/zinc/09/83/89/511098389.db2.gz IFXJPISVAQMHSW-INIZCTEOSA-N 1 3 358.486 2.624 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2oc(C)nc21 ZINC000279480718 511098391 /nfs/dbraw/zinc/09/83/91/511098391.db2.gz IFXJPISVAQMHSW-INIZCTEOSA-N 1 3 358.486 2.624 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000282800722 511116145 /nfs/dbraw/zinc/11/61/45/511116145.db2.gz XENKATAYULSGFZ-QFIPXVFZSA-N 1 3 359.558 2.848 20 0 FFADHO COCC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291273064 511163822 /nfs/dbraw/zinc/16/38/22/511163822.db2.gz YCTJPJZSGTVUOJ-NRFANRHFSA-N 1 3 357.542 2.695 20 0 FFADHO COCC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000291273064 511163831 /nfs/dbraw/zinc/16/38/31/511163831.db2.gz YCTJPJZSGTVUOJ-NRFANRHFSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000362703922 511220361 /nfs/dbraw/zinc/22/03/61/511220361.db2.gz RUCSRHSIPAKHCK-JXFKEZNVSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000362703922 511220364 /nfs/dbraw/zinc/22/03/64/511220364.db2.gz RUCSRHSIPAKHCK-JXFKEZNVSA-N 1 3 356.489 2.832 20 0 FFADHO [NH3+]C1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000333550999 511282037 /nfs/dbraw/zinc/28/20/37/511282037.db2.gz PHDLYMSNNDQPIO-SPTPYCMISA-N 1 3 374.573 2.800 20 0 FFADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000333656426 511314192 /nfs/dbraw/zinc/31/41/92/511314192.db2.gz KTKBEUYPKJTOBS-URVUXULASA-N 1 3 370.541 2.812 20 0 FFADHO COc1cc(OC)c(OC)cc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000298565921 511331101 /nfs/dbraw/zinc/33/11/01/511331101.db2.gz WODGRUADVGLOOB-UHFFFAOYSA-N 1 3 357.454 2.866 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000271842909 511344749 /nfs/dbraw/zinc/34/47/49/511344749.db2.gz URZBLJCZSWPUDY-HXUWFJFHSA-N 1 3 371.529 2.568 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333753052 511345341 /nfs/dbraw/zinc/34/53/41/511345341.db2.gz KFKOCTSOMVMTKD-MSOLQXFVSA-N 1 3 350.551 2.720 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333753053 511345779 /nfs/dbraw/zinc/34/57/79/511345779.db2.gz KFKOCTSOMVMTKD-QZTJIDSGSA-N 1 3 350.551 2.720 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)[C@H]2C1 ZINC000272273417 511487730 /nfs/dbraw/zinc/48/77/30/511487730.db2.gz AHIUTSXTLVGSCI-PXNSSMCTSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000299109982 511518298 /nfs/dbraw/zinc/51/82/98/511518298.db2.gz WXINHBIDOPGNHT-GUDVDZBRSA-N 1 3 372.557 2.808 20 0 FFADHO CN(C(=O)c1ccccc1CC[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000311723246 511777713 /nfs/dbraw/zinc/77/77/13/511777713.db2.gz XTLJULSLDZJCAB-UHFFFAOYSA-N 1 3 351.494 2.924 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000293638413 512035179 /nfs/dbraw/zinc/03/51/79/512035179.db2.gz ZSCXAZHCYADYMZ-SYYKKAFVSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000293638413 512035185 /nfs/dbraw/zinc/03/51/85/512035185.db2.gz ZSCXAZHCYADYMZ-SYYKKAFVSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000281993482 512039328 /nfs/dbraw/zinc/03/93/28/512039328.db2.gz CPCZHGAZBORKAZ-OAQYLSRUSA-N 1 3 357.542 2.873 20 0 FFADHO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282141610 512087167 /nfs/dbraw/zinc/08/71/67/512087167.db2.gz CBVKVHNOPYKKRI-SFHVURJKSA-N 1 3 363.546 2.641 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000373824947 512523895 /nfs/dbraw/zinc/52/38/95/512523895.db2.gz HNTHMGUUDULAOM-NZSAHSFTSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000373824947 512523901 /nfs/dbraw/zinc/52/39/01/512523901.db2.gz HNTHMGUUDULAOM-NZSAHSFTSA-N 1 3 350.551 2.908 20 0 FFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000411311911 512576004 /nfs/dbraw/zinc/57/60/04/512576004.db2.gz SFISUPYIPKUHMI-JOCHJYFZSA-N 1 3 357.542 2.827 20 0 FFADHO Cc1nc2ccccc2nc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371823113 512589189 /nfs/dbraw/zinc/58/91/89/512589189.db2.gz PRXUXVBJDFWGFN-UHFFFAOYSA-N 1 3 367.541 2.788 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000367654885 512601397 /nfs/dbraw/zinc/60/13/97/512601397.db2.gz WXDNJFINNOHMCS-FUHWJXTLSA-N 1 3 369.431 2.595 20 0 FFADHO CCO[C@@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000411553369 512686002 /nfs/dbraw/zinc/68/60/02/512686002.db2.gz RMGJZBMRXVGXLC-ZWKOTPCHSA-N 1 3 353.551 2.549 20 0 FFADHO C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000376203554 512708848 /nfs/dbraw/zinc/70/88/48/512708848.db2.gz PEDYZJRDYIGCEF-LPHOPBHVSA-N 1 3 351.922 2.677 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000376203554 512708852 /nfs/dbraw/zinc/70/88/52/512708852.db2.gz PEDYZJRDYIGCEF-LPHOPBHVSA-N 1 3 351.922 2.677 20 0 FFADHO C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376311981 512762237 /nfs/dbraw/zinc/76/22/37/512762237.db2.gz QXAOBJCRJNUUNT-JBACZVJFSA-N 1 3 367.541 2.889 20 0 FFADHO C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376311981 512762242 /nfs/dbraw/zinc/76/22/42/512762242.db2.gz QXAOBJCRJNUUNT-JBACZVJFSA-N 1 3 367.541 2.889 20 0 FFADHO c1cn(CCCN2CCCC3(CCC[N@H+](CCCn4ccnc4)C3)C2)cn1 ZINC000368075329 512791157 /nfs/dbraw/zinc/79/11/57/512791157.db2.gz QGLDFIAWSFZIDK-UHFFFAOYSA-N 1 3 370.545 2.738 20 0 FFADHO c1cn(CCCN2CCCC3(CCC[N@@H+](CCCn4ccnc4)C3)C2)cn1 ZINC000368075329 512791160 /nfs/dbraw/zinc/79/11/60/512791160.db2.gz QGLDFIAWSFZIDK-UHFFFAOYSA-N 1 3 370.545 2.738 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000411791755 512814043 /nfs/dbraw/zinc/81/40/43/512814043.db2.gz HQMIHEIXMXZMIF-UXHICEINSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@H](CCNC(=O)[C@H]1CNCc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000379661232 512869940 /nfs/dbraw/zinc/86/99/40/512869940.db2.gz DSRBEZNOKPDRQQ-UTKZUKDTSA-N 1 3 351.494 2.900 20 0 FFADHO C[C@H](CCNC(=O)[C@H]1CNCc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000379661232 512869944 /nfs/dbraw/zinc/86/99/44/512869944.db2.gz DSRBEZNOKPDRQQ-UTKZUKDTSA-N 1 3 351.494 2.900 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000376571888 512879489 /nfs/dbraw/zinc/87/94/89/512879489.db2.gz DCWKROWPXJSTQH-RSPOEFSDSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000376571888 512879495 /nfs/dbraw/zinc/87/94/95/512879495.db2.gz DCWKROWPXJSTQH-RSPOEFSDSA-N 1 3 356.514 2.575 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000389145095 512899386 /nfs/dbraw/zinc/89/93/86/512899386.db2.gz WBZZBVNPHKAAHT-HXUWFJFHSA-N 1 3 351.494 2.795 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000372521813 512916622 /nfs/dbraw/zinc/91/66/22/512916622.db2.gz KIMGHPZTXWTXLE-UHFFFAOYSA-N 1 3 351.494 2.886 20 0 FFADHO O=C1COc2ccc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)cc2N1 ZINC000394491049 512935923 /nfs/dbraw/zinc/93/59/23/512935923.db2.gz YUHQLSWVHQCPSH-GOSISDBHSA-N 1 3 351.450 2.629 20 0 FFADHO O=C1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H]2CCCCN12 ZINC000394433075 512936625 /nfs/dbraw/zinc/93/66/25/512936625.db2.gz YMUZMOCFIOPAHP-SSSFQFABSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H]2CCCCN12 ZINC000394433075 512936629 /nfs/dbraw/zinc/93/66/29/512936629.db2.gz YMUZMOCFIOPAHP-SSSFQFABSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@H]2CCCCN12 ZINC000394433075 512936632 /nfs/dbraw/zinc/93/66/32/512936632.db2.gz YMUZMOCFIOPAHP-SSSFQFABSA-N 1 3 353.510 2.640 20 0 FFADHO COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1C ZINC000368586742 513012564 /nfs/dbraw/zinc/01/25/64/513012564.db2.gz YZCIFBKAPFYMIR-APWZRJJASA-N 1 3 355.482 2.812 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2cccc(OCCN(C)C)c2)c1 ZINC000424448087 513151287 /nfs/dbraw/zinc/15/12/87/513151287.db2.gz WUFSANSQFCFCIX-UHFFFAOYSA-N 1 3 356.470 2.716 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417675939 513154160 /nfs/dbraw/zinc/15/41/60/513154160.db2.gz DAZFHFBOELWFRK-OXJNMPFZSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000417693603 513167078 /nfs/dbraw/zinc/16/70/78/513167078.db2.gz QQWHZLVPDACQIQ-GCJKJVERSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@H](Cn1cccn1)NCc1cc(C[NH2+][C@H](C)Cn2cccn2)ccc1F ZINC000450380446 513167606 /nfs/dbraw/zinc/16/76/06/513167606.db2.gz RTSOCGFFJYJTEO-IAGOWNOFSA-N 1 3 370.476 2.575 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@H]1c1cccs1 ZINC000417730713 513184562 /nfs/dbraw/zinc/18/45/62/513184562.db2.gz DZEDHBNVLBGCPO-CVYDXHPNSA-N 1 3 362.543 2.524 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000417745209 513194409 /nfs/dbraw/zinc/19/44/09/513194409.db2.gz ZNKKLZYNDCOYLM-INIZCTEOSA-N 1 3 366.509 2.605 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417821627 513221721 /nfs/dbraw/zinc/22/17/21/513221721.db2.gz ISYSGPXDSWUYNR-AZUAARDMSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000417819840 513222275 /nfs/dbraw/zinc/22/22/75/513222275.db2.gz GRZGGRCTFMMHQI-HNBVOPMISA-N 1 3 358.530 2.523 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417827230 513222758 /nfs/dbraw/zinc/22/27/58/513222758.db2.gz PIDNPWVIFRGILY-RLLQIKCJSA-N 1 3 358.530 2.667 20 0 FFADHO CCCN(C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417880033 513251815 /nfs/dbraw/zinc/25/18/15/513251815.db2.gz SFKJEMCTMLBGBX-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000417886335 513255467 /nfs/dbraw/zinc/25/54/67/513255467.db2.gz ZBBJHBHERRITSY-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCC1 ZINC000429125579 513285215 /nfs/dbraw/zinc/28/52/15/513285215.db2.gz ZOQZGNFTPQUBFI-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417935335 513288264 /nfs/dbraw/zinc/28/82/64/513288264.db2.gz QSMRMUKKEMSFCA-FCEWJHQRSA-N 1 3 359.518 2.518 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417971671 513310066 /nfs/dbraw/zinc/31/00/66/513310066.db2.gz AWWAOZJYHVOQOQ-XLIONFOSSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCN1Cc1ccccc1 ZINC000418041135 513349925 /nfs/dbraw/zinc/34/99/25/513349925.db2.gz KBIXRXJARGHFLT-RZUBCFFCSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000418044386 513350683 /nfs/dbraw/zinc/35/06/83/513350683.db2.gz ZSDGREWZOUBMCT-HXUWFJFHSA-N 1 3 358.530 2.752 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418150731 513392493 /nfs/dbraw/zinc/39/24/93/513392493.db2.gz DIDHKNQKCCOWFT-UXHICEINSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418152430 513392700 /nfs/dbraw/zinc/39/27/00/513392700.db2.gz HHUAYUYCDPXUMM-JRGCBEDISA-N 1 3 366.509 2.643 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccco1 ZINC000418160351 513398259 /nfs/dbraw/zinc/39/82/59/513398259.db2.gz CXRRBBYVJLWSGZ-WNRNVDISSA-N 1 3 362.518 2.740 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CCN1Cc1ccccc1 ZINC000418184765 513410490 /nfs/dbraw/zinc/41/04/90/513410490.db2.gz AALAXVOEBFOGGN-UYAOXDASSA-N 1 3 370.541 2.825 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000418189183 513412805 /nfs/dbraw/zinc/41/28/05/513412805.db2.gz VBYVUIMJBALDNM-IRXDYDNUSA-N 1 3 352.910 2.759 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000418210113 513422478 /nfs/dbraw/zinc/42/24/78/513422478.db2.gz SFTILOJRVLCTBG-QAPCUYQASA-N 1 3 350.507 2.503 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418215679 513425521 /nfs/dbraw/zinc/42/55/21/513425521.db2.gz YSHYWGAFAGZRLV-SUMDDJOVSA-N 1 3 362.518 2.503 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)C)cc1 ZINC000418232227 513433570 /nfs/dbraw/zinc/43/35/70/513433570.db2.gz MKNSWVJEDVGCBY-INIZCTEOSA-N 1 3 352.548 2.638 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000418235665 513434625 /nfs/dbraw/zinc/43/46/25/513434625.db2.gz SQIAIUJZOIHDNV-SOLBZPMBSA-N 1 3 362.543 2.547 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000447288607 513437153 /nfs/dbraw/zinc/43/71/53/513437153.db2.gz SBPVOCOEKIOJBX-IAGOWNOFSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000447288607 513437159 /nfs/dbraw/zinc/43/71/59/513437159.db2.gz SBPVOCOEKIOJBX-IAGOWNOFSA-N 1 3 350.507 2.616 20 0 FFADHO C[NH2+]CCNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418314094 513459406 /nfs/dbraw/zinc/45/94/06/513459406.db2.gz DINLQOGQUUCIAF-IBGZPJMESA-N 1 3 358.530 2.538 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)NC2CCN(CCOC(C)C)CC2)c1 ZINC000415903409 513468872 /nfs/dbraw/zinc/46/88/72/513468872.db2.gz DXADDJPSFWGUAN-UHFFFAOYSA-N 1 3 362.518 2.807 20 0 FFADHO C[C@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418338039 513470354 /nfs/dbraw/zinc/47/03/54/513470354.db2.gz JPBFEKQURKCQCA-FPOVZHCZSA-N 1 3 372.557 2.725 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418342030 513471650 /nfs/dbraw/zinc/47/16/50/513471650.db2.gz IDGKMMVPYCFPAY-KNQAVFIVSA-N 1 3 370.541 2.684 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000441064702 513474210 /nfs/dbraw/zinc/47/42/10/513474210.db2.gz OQSXDUDKYUPXSP-BRWVUGGUSA-N 1 3 350.551 2.811 20 0 FFADHO CN(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418342749 513474275 /nfs/dbraw/zinc/47/42/75/513474275.db2.gz IZVUVKDSNXTTIL-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000441064702 513474214 /nfs/dbraw/zinc/47/42/14/513474214.db2.gz OQSXDUDKYUPXSP-BRWVUGGUSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418347606 513477539 /nfs/dbraw/zinc/47/75/39/513477539.db2.gz QONMHWFAULOZPI-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418352273 513478798 /nfs/dbraw/zinc/47/87/98/513478798.db2.gz SRCCHOFADBELSC-RTBURBONSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418357788 513481679 /nfs/dbraw/zinc/48/16/79/513481679.db2.gz YOOGCCKDEMOCAZ-BJLQDIEVSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccncc3OC)CC2)c1 ZINC000415924362 513482010 /nfs/dbraw/zinc/48/20/10/513482010.db2.gz WIQDIVARBVBTNI-UHFFFAOYSA-N 1 3 369.469 2.554 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418367750 513485759 /nfs/dbraw/zinc/48/57/59/513485759.db2.gz LMWMLQRPKGWYHN-UYAOXDASSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)CN1Cc1ccccc1 ZINC000415947778 513493445 /nfs/dbraw/zinc/49/34/45/513493445.db2.gz SPHISCSUFFEBRY-VQIMIIECSA-N 1 3 368.481 2.809 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418448079 513513812 /nfs/dbraw/zinc/51/38/12/513513812.db2.gz JDMPDVHXVNKNLF-QWFCFKBJSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418448079 513513817 /nfs/dbraw/zinc/51/38/17/513513817.db2.gz JDMPDVHXVNKNLF-QWFCFKBJSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3)CC[N@@H+](C2CCC2)C1 ZINC000415979641 513515010 /nfs/dbraw/zinc/51/50/10/513515010.db2.gz XEJJJPMHEZQDGS-CQSZACIVSA-N 1 3 360.477 2.810 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3)CC[N@H+](C2CCC2)C1 ZINC000415979641 513515016 /nfs/dbraw/zinc/51/50/16/513515016.db2.gz XEJJJPMHEZQDGS-CQSZACIVSA-N 1 3 360.477 2.810 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H](N)c3ccccc3)C2)CC1 ZINC000418454284 513516879 /nfs/dbraw/zinc/51/68/79/513516879.db2.gz QBFKCRKZAWJRSV-QUCCMNQESA-N 1 3 358.530 2.840 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418459966 513520687 /nfs/dbraw/zinc/52/06/87/513520687.db2.gz HBWPPOVNOXYINF-OAHLLOKOSA-N 1 3 356.461 2.556 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418472434 513523669 /nfs/dbraw/zinc/52/36/69/513523669.db2.gz WVFXMVPNKSUTDJ-UHFFFAOYSA-N 1 3 350.507 2.665 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418482494 513528238 /nfs/dbraw/zinc/52/82/38/513528238.db2.gz DZHOMSQKWGURMO-CDHQVMDDSA-N 1 3 354.498 2.821 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418482494 513528244 /nfs/dbraw/zinc/52/82/44/513528244.db2.gz DZHOMSQKWGURMO-CDHQVMDDSA-N 1 3 354.498 2.821 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000435289681 513550958 /nfs/dbraw/zinc/55/09/58/513550958.db2.gz OKKIFUXOPVLKBN-PKOBYXMFSA-N 1 3 359.514 2.650 20 0 FFADHO [NH3+]CC[C@@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C(F)(F)F ZINC000416054936 513558496 /nfs/dbraw/zinc/55/84/96/513558496.db2.gz XCTVRSXROJIATE-CQSZACIVSA-N 1 3 364.456 2.612 20 0 FFADHO O=C(COc1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000435378832 513570443 /nfs/dbraw/zinc/57/04/43/513570443.db2.gz GRCPTEXYRUHKTK-HXUWFJFHSA-N 1 3 371.525 2.652 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)CC1 ZINC000418616087 513578122 /nfs/dbraw/zinc/57/81/22/513578122.db2.gz LBTCGMQNTPTQDV-LWSMDNFKSA-N 1 3 350.551 2.526 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000416125687 513582923 /nfs/dbraw/zinc/58/29/23/513582923.db2.gz QGDGYSMPUYNXKR-RTWAWAEBSA-N 1 3 353.510 2.969 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418643075 513588821 /nfs/dbraw/zinc/58/88/21/513588821.db2.gz AZPFLDOCCCDPBK-AZUAARDMSA-N 1 3 358.530 2.909 20 0 FFADHO CN(C)C1(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)Cc2ccccc2C1 ZINC000416154241 513605603 /nfs/dbraw/zinc/60/56/03/513605603.db2.gz IQEUTUSQEUOGBK-OAQYLSRUSA-N 1 3 365.521 2.895 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418711390 513620666 /nfs/dbraw/zinc/62/06/66/513620666.db2.gz FNWTVWSFBKNRMO-QAPCUYQASA-N 1 3 366.937 2.931 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccco1 ZINC000422198546 513634999 /nfs/dbraw/zinc/63/49/99/513634999.db2.gz HHWDCLTZKXBBNT-OTBWCIGPSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418757282 513642276 /nfs/dbraw/zinc/64/22/76/513642276.db2.gz YTEIKNTXIOLFKQ-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244090 513655268 /nfs/dbraw/zinc/65/52/68/513655268.db2.gz JPFMJSGBUIYUOI-UHFFFAOYSA-N 1 3 352.548 2.694 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000422251876 513659514 /nfs/dbraw/zinc/65/95/14/513659514.db2.gz AORWRRJDHDPKMO-DAWZGUTISA-N 1 3 350.482 2.600 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448044708 513663322 /nfs/dbraw/zinc/66/33/22/513663322.db2.gz WLEZOLQPKHCJRQ-MSOLQXFVSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448044708 513663330 /nfs/dbraw/zinc/66/33/30/513663330.db2.gz WLEZOLQPKHCJRQ-MSOLQXFVSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000430615867 513703339 /nfs/dbraw/zinc/70/33/39/513703339.db2.gz DQQXFSOBQICVDX-IUODEOHRSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000430615867 513703346 /nfs/dbraw/zinc/70/33/46/513703346.db2.gz DQQXFSOBQICVDX-IUODEOHRSA-N 1 3 354.292 2.979 20 0 FFADHO [NH3+]C[C@H]1CCCN(CCCOc2cccc(I)c2)C1 ZINC000430638947 513709823 /nfs/dbraw/zinc/70/98/23/513709823.db2.gz GSOFYYWDNLROJW-CYBMUJFWSA-N 1 3 374.266 2.731 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430682720 513721475 /nfs/dbraw/zinc/72/14/75/513721475.db2.gz UJZCLJYQICTFQG-WOJBJXKFSA-N 1 3 359.514 2.880 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCOc1ccc2ccccc2c1 ZINC000436053577 513748411 /nfs/dbraw/zinc/74/84/11/513748411.db2.gz OIWFDLAPZCYGKZ-FQEVSTJZSA-N 1 3 369.509 2.928 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058063 513856501 /nfs/dbraw/zinc/85/65/01/513856501.db2.gz IZGCTGGMPMYHLC-XLIONFOSSA-N 1 3 359.514 2.810 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443059769 513857014 /nfs/dbraw/zinc/85/70/14/513857014.db2.gz DEHAJESOVGTBKS-HGPLWSSJSA-N 1 3 367.537 2.888 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443059769 513857023 /nfs/dbraw/zinc/85/70/23/513857023.db2.gz DEHAJESOVGTBKS-HGPLWSSJSA-N 1 3 367.537 2.888 20 0 FFADHO C(CN1CCSC[C@H]1C1CC1)OCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451645987 513885162 /nfs/dbraw/zinc/88/51/62/513885162.db2.gz CRPQQADDYHGVJC-ROUUACIJSA-N 1 3 356.601 2.658 20 0 FFADHO C(CN1CCSC[C@H]1C1CC1)OCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451645987 513885165 /nfs/dbraw/zinc/88/51/65/513885165.db2.gz CRPQQADDYHGVJC-ROUUACIJSA-N 1 3 356.601 2.658 20 0 FFADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(CN2CCOCC2)c1 ZINC000422687251 513902993 /nfs/dbraw/zinc/90/29/93/513902993.db2.gz BELQREFJMZVGSR-YPAWHYETSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@H](NCCSCCOc1cccc(Br)c1)C1C[NH2+]C1 ZINC000422719915 513912629 /nfs/dbraw/zinc/91/26/29/513912629.db2.gz ZFRNFDAHABBUFE-LBPRGKRZSA-N 1 3 359.333 2.759 20 0 FFADHO C[C@H]([NH2+]CCSCCOc1cccc(Br)c1)C1CNC1 ZINC000422719915 513912634 /nfs/dbraw/zinc/91/26/34/513912634.db2.gz ZFRNFDAHABBUFE-LBPRGKRZSA-N 1 3 359.333 2.759 20 0 FFADHO [NH3+][C@H]1C[C@H](NCCc2ccc(OCC(=O)NC3CC3)cc2)c2ccccc21 ZINC000422718379 513912703 /nfs/dbraw/zinc/91/27/03/513912703.db2.gz XCLSXKBGFQOOSV-SFTDATJTSA-N 1 3 365.477 2.621 20 0 FFADHO c1cc(CN2CCOCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422761813 513923084 /nfs/dbraw/zinc/92/30/84/513923084.db2.gz HQYBSUQTXYRACM-BHDDXSALSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1CN1CCOCC1 ZINC000422756898 513923116 /nfs/dbraw/zinc/92/31/16/513923116.db2.gz CPXDOFFKNVLWRO-AVRDEDQJSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000422756898 513923124 /nfs/dbraw/zinc/92/31/24/513923124.db2.gz CPXDOFFKNVLWRO-AVRDEDQJSA-N 1 3 353.510 2.567 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422758609 513923882 /nfs/dbraw/zinc/92/38/82/513923882.db2.gz KMLINUAZLZHBOL-RCOXNQKVSA-N 1 3 361.530 2.564 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000422777732 513928829 /nfs/dbraw/zinc/92/88/29/513928829.db2.gz GINIJNJPIBWXMN-WDSOQIARSA-N 1 3 360.498 2.818 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422786585 513931982 /nfs/dbraw/zinc/93/19/82/513931982.db2.gz SSIQZWXNVUYMSS-ATZDWAIDSA-N 1 3 351.922 2.691 20 0 FFADHO c1ccc(CN2CCN(CCCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422831241 513945135 /nfs/dbraw/zinc/94/51/35/513945135.db2.gz JKUZIVKXWKFUJT-YTFSRNRJSA-N 1 3 370.585 2.705 20 0 FFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000422856296 513954114 /nfs/dbraw/zinc/95/41/14/513954114.db2.gz WTCXPCSZDCWKRO-JQHSSLGASA-N 1 3 371.447 2.796 20 0 FFADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422877410 513960667 /nfs/dbraw/zinc/96/06/67/513960667.db2.gz RIVKHVVBXLLAKK-UWHLTILDSA-N 1 3 355.526 2.730 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416784513 513966630 /nfs/dbraw/zinc/96/66/30/513966630.db2.gz JLMXPRWDFFHCTN-LEWJYISDSA-N 1 3 370.541 2.855 20 0 FFADHO C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)C1CNC1 ZINC000422890007 513966921 /nfs/dbraw/zinc/96/69/21/513966921.db2.gz HHBHKCMMOHUMIY-ZDUSSCGKSA-N 1 3 352.320 2.611 20 0 FFADHO C[C@H](NC1CCN(Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000422890007 513966925 /nfs/dbraw/zinc/96/69/25/513966925.db2.gz HHBHKCMMOHUMIY-ZDUSSCGKSA-N 1 3 352.320 2.611 20 0 FFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422907258 513972172 /nfs/dbraw/zinc/97/21/72/513972172.db2.gz WQVNLEREOFKVEG-WMZOPIPTSA-N 1 3 350.938 2.569 20 0 FFADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422923582 513976841 /nfs/dbraw/zinc/97/68/41/513976841.db2.gz WRBGOZNMJZEOHS-AQNXPRMDSA-N 1 3 360.498 2.681 20 0 FFADHO [NH3+][C@H]1CCCCC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422926262 513979079 /nfs/dbraw/zinc/97/90/79/513979079.db2.gz CLFXLZVYMBPBCI-OALUTQOASA-N 1 3 350.938 2.712 20 0 FFADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000416818984 513981496 /nfs/dbraw/zinc/98/14/96/513981496.db2.gz JBMYFMLWDAFQBD-KPFFTGBYSA-N 1 3 374.529 2.649 20 0 FFADHO C[C@H](NCC1(c2cccc(Br)c2)CCOCC1)C1C[NH2+]C1 ZINC000422939124 513982757 /nfs/dbraw/zinc/98/27/57/513982757.db2.gz HTVCSZXVNSJWKX-ZDUSSCGKSA-N 1 3 353.304 2.695 20 0 FFADHO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)C1CNC1 ZINC000422939124 513982764 /nfs/dbraw/zinc/98/27/64/513982764.db2.gz HTVCSZXVNSJWKX-ZDUSSCGKSA-N 1 3 353.304 2.695 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCOc3c(CC)cccc32)CC[NH2+]CC1 ZINC000422943431 513985192 /nfs/dbraw/zinc/98/51/92/513985192.db2.gz KGVDFDIFLORORI-QAPCUYQASA-N 1 3 360.498 2.984 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)Cc1ccccc1 ZINC000416851148 514003041 /nfs/dbraw/zinc/00/30/41/514003041.db2.gz QSVJNUNISPVCPW-LEWJYISDSA-N 1 3 368.525 2.939 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCc3cc(Cl)ccc32)(N2CCOCC2)CC1 ZINC000414203335 514010843 /nfs/dbraw/zinc/01/08/43/514010843.db2.gz VDGMCLKZLCMSQM-IBGZPJMESA-N 1 3 363.933 2.714 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](C(F)(F)F)C1 ZINC000431823150 514011829 /nfs/dbraw/zinc/01/18/29/514011829.db2.gz MJAQKWTVURQQGP-LXTVHRRPSA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](C(F)(F)F)C1 ZINC000431823150 514011833 /nfs/dbraw/zinc/01/18/33/514011833.db2.gz MJAQKWTVURQQGP-LXTVHRRPSA-N 1 3 361.452 2.638 20 0 FFADHO Cc1cc(Br)cn2cc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc12 ZINC000423036843 514013282 /nfs/dbraw/zinc/01/32/82/514013282.db2.gz LUXNNFQCGLSHIB-MZBDJJRSSA-N 1 3 363.303 2.820 20 0 FFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423059295 514022435 /nfs/dbraw/zinc/02/24/35/514022435.db2.gz LNSGJMUNDZIYPC-SYYKKAFVSA-N 1 3 352.478 2.744 20 0 FFADHO COC[C@@H](CCC[NH3+])N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066109 514024792 /nfs/dbraw/zinc/02/47/92/514024792.db2.gz CYXDUEVAXXJWMQ-HIFRSBDPSA-N 1 3 374.312 2.832 20 0 FFADHO CCOC(=O)c1csc(CCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000423074791 514029055 /nfs/dbraw/zinc/02/90/55/514029055.db2.gz VHFWWANOFDSORO-HOTGVXAUSA-N 1 3 359.495 2.945 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](CCO)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423121769 514050309 /nfs/dbraw/zinc/05/03/09/514050309.db2.gz IVPXVPVCNNHASY-PBHICJAKSA-N 1 3 368.905 2.675 20 0 FFADHO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000423143787 514057619 /nfs/dbraw/zinc/05/76/19/514057619.db2.gz XXCKPFSEEDKZKV-SZNDQCEHSA-N 1 3 373.497 2.510 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(Br)cc1Cl ZINC000423146702 514060287 /nfs/dbraw/zinc/06/02/87/514060287.db2.gz PZPOGCJOQCQIKR-XEGUGMAKSA-N 1 3 361.711 2.987 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423146702 514060291 /nfs/dbraw/zinc/06/02/91/514060291.db2.gz PZPOGCJOQCQIKR-XEGUGMAKSA-N 1 3 361.711 2.987 20 0 FFADHO CCOC(=O)c1cnn(C2CC[NH+]([C@@H]3C[C@@H](N)c4ccccc43)CC2)c1 ZINC000423156999 514063225 /nfs/dbraw/zinc/06/32/25/514063225.db2.gz LYHREEYVQVOGNI-RTBURBONSA-N 1 3 354.454 2.842 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449080193 514063256 /nfs/dbraw/zinc/06/32/56/514063256.db2.gz UAWJIIDIFOQUGA-RTWAWAEBSA-N 1 3 372.601 2.698 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cccc(C(F)(F)F)n2)CC[NH2+]CC1 ZINC000423158297 514064687 /nfs/dbraw/zinc/06/46/87/514064687.db2.gz NVNVVDSNXHCBIR-LBPRGKRZSA-N 1 3 359.392 2.511 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423168136 514068494 /nfs/dbraw/zinc/06/84/94/514068494.db2.gz GVSVBZDLWNMUBI-JKIFEVAISA-N 1 3 373.310 2.846 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416970146 514075311 /nfs/dbraw/zinc/07/53/11/514075311.db2.gz DNNVZCLLPLVDAT-RTBURBONSA-N 1 3 358.530 2.510 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000420297898 514078060 /nfs/dbraw/zinc/07/80/60/514078060.db2.gz DUHNKAQMBJHOKE-VXKWHMMOSA-N 1 3 354.494 2.708 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(COc2ccccc2)CC1 ZINC000420297898 514078065 /nfs/dbraw/zinc/07/80/65/514078065.db2.gz DUHNKAQMBJHOKE-VXKWHMMOSA-N 1 3 354.494 2.708 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000416975945 514083130 /nfs/dbraw/zinc/08/31/30/514083130.db2.gz NNTUBEYRUVGMDG-FGTMMUONSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000416975945 514083134 /nfs/dbraw/zinc/08/31/34/514083134.db2.gz NNTUBEYRUVGMDG-FGTMMUONSA-N 1 3 358.530 2.953 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000420315555 514089392 /nfs/dbraw/zinc/08/93/92/514089392.db2.gz RXQOSGTZCXOEOY-KSSFIOAISA-N 1 3 351.441 2.517 20 0 FFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1=O ZINC000420321937 514093192 /nfs/dbraw/zinc/09/31/92/514093192.db2.gz DGBJSAWULURXDQ-ZWOKBUDYSA-N 1 3 359.489 2.951 20 0 FFADHO CN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1CCCc2ccccc21 ZINC000420345404 514103906 /nfs/dbraw/zinc/10/39/06/514103906.db2.gz WDUMNMIIIRSAMX-IRFCIJBXSA-N 1 3 355.526 2.844 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCCNCC2)C1 ZINC000417003505 514110144 /nfs/dbraw/zinc/11/01/44/514110144.db2.gz OUHFHBYRAHEJPX-ROUUACIJSA-N 1 3 358.530 2.669 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417014242 514119196 /nfs/dbraw/zinc/11/91/96/514119196.db2.gz CXWWMSQEMHJXCP-NRFANRHFSA-N 1 3 370.541 2.608 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCc2ccccc2C1 ZINC000417016117 514120981 /nfs/dbraw/zinc/12/09/81/514120981.db2.gz NONAFMMCZQQYNS-FXAWDEMLSA-N 1 3 358.530 2.594 20 0 FFADHO CCc1nc(C)c([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423396057 514127853 /nfs/dbraw/zinc/12/78/53/514127853.db2.gz SYLMOBZYQUJQTP-PWSUYJOCSA-N 1 3 350.454 2.501 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000423397562 514128249 /nfs/dbraw/zinc/12/82/49/514128249.db2.gz SOOHRDKTQSBYIE-CZTZKLFOSA-N 1 3 355.526 2.889 20 0 FFADHO CCC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC)cc1 ZINC000423398423 514130081 /nfs/dbraw/zinc/13/00/81/514130081.db2.gz VJMJQFCJWXNVCZ-SJORKVTESA-N 1 3 359.436 2.962 20 0 FFADHO COc1ccc([C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C(C)C)cc1 ZINC000423404271 514131122 /nfs/dbraw/zinc/13/11/22/514131122.db2.gz ZRRAUWWWVYYQAC-IAGOWNOFSA-N 1 3 359.436 2.818 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420403355 514134255 /nfs/dbraw/zinc/13/42/55/514134255.db2.gz RFGAMYLMPUUKKM-APWZRJJASA-N 1 3 355.482 2.527 20 0 FFADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC(O)(C[NH3+])CC1 ZINC000420404767 514134424 /nfs/dbraw/zinc/13/44/24/514134424.db2.gz NTSGDBBRSKQAAI-INIZCTEOSA-N 1 3 353.466 2.786 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420403356 514135664 /nfs/dbraw/zinc/13/56/64/514135664.db2.gz RFGAMYLMPUUKKM-LPHOPBHVSA-N 1 3 355.482 2.527 20 0 FFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000423443217 514141981 /nfs/dbraw/zinc/14/19/81/514141981.db2.gz ADAZKZFDPFKXFB-LSKLOWJMSA-N 1 3 353.869 2.777 20 0 FFADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423437376 514142207 /nfs/dbraw/zinc/14/22/07/514142207.db2.gz QIHCGQNVAQPENX-VHSXEESVSA-N 1 3 368.330 2.809 20 0 FFADHO Cc1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)c(=O)n1C ZINC000449287446 514146991 /nfs/dbraw/zinc/14/69/91/514146991.db2.gz KQAMCXWSNWAKBC-SFHVURJKSA-N 1 3 353.510 2.879 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414528041 514163450 /nfs/dbraw/zinc/16/34/50/514163450.db2.gz NUUISCRMSVKRLQ-HXUWFJFHSA-N 1 3 371.500 2.833 20 0 FFADHO CNC(=O)[C@H](CCSC)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449329445 514168987 /nfs/dbraw/zinc/16/89/87/514168987.db2.gz OHPPGUKNKVGLLH-APWZRJJASA-N 1 3 363.571 2.539 20 0 FFADHO CCCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417108761 514171667 /nfs/dbraw/zinc/17/16/67/514171667.db2.gz JUNCVXKQQNKBTA-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000444269129 514174282 /nfs/dbraw/zinc/17/42/82/514174282.db2.gz KLJIWAQQDSHKIN-SJLPKXTDSA-N 1 3 369.431 2.699 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427310379 514178954 /nfs/dbraw/zinc/17/89/54/514178954.db2.gz YZWOMUYICUTMKV-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427310379 514178956 /nfs/dbraw/zinc/17/89/56/514178956.db2.gz YZWOMUYICUTMKV-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000427322731 514182549 /nfs/dbraw/zinc/18/25/49/514182549.db2.gz GLCLSXFUIVRMEQ-GOSISDBHSA-N 1 3 359.514 2.557 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417179375 514213566 /nfs/dbraw/zinc/21/35/66/514213566.db2.gz FOJSBDAIHCAICX-UXHICEINSA-N 1 3 372.557 2.579 20 0 FFADHO CCN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)[C@H](C)C1 ZINC000449524692 514240133 /nfs/dbraw/zinc/24/01/33/514240133.db2.gz PBJFDUUNLWLWOO-VGOFRKELSA-N 1 3 372.557 2.929 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000417223589 514243831 /nfs/dbraw/zinc/24/38/31/514243831.db2.gz SPFZMMRNZVLRGL-QFUCXCTJSA-N 1 3 356.514 2.607 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449530126 514243841 /nfs/dbraw/zinc/24/38/41/514243841.db2.gz CEPWJZVYICWZLM-YJBOKZPZSA-N 1 3 353.457 2.763 20 0 FFADHO CN(CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000417227366 514245504 /nfs/dbraw/zinc/24/55/04/514245504.db2.gz CHTZONVMEWXQDD-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC000414711608 514253300 /nfs/dbraw/zinc/25/33/00/514253300.db2.gz SNIGKDFZLKVYGO-GOSISDBHSA-N 1 3 363.933 2.792 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC000414711608 514253307 /nfs/dbraw/zinc/25/33/07/514253307.db2.gz SNIGKDFZLKVYGO-GOSISDBHSA-N 1 3 363.933 2.792 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])c(C)c2)CC1 ZINC000414750572 514272946 /nfs/dbraw/zinc/27/29/46/514272946.db2.gz LXKWUOSNXUNWGT-XLIONFOSSA-N 1 3 373.545 2.776 20 0 FFADHO C[C@H](c1ccccc1Br)N(C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753894 514275458 /nfs/dbraw/zinc/27/54/58/514275458.db2.gz FHPKTADCOSKAKD-ZIAGYGMSSA-N 1 3 368.319 2.639 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000420776801 514291693 /nfs/dbraw/zinc/29/16/93/514291693.db2.gz GBASZLIIOHNMCU-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000420776801 514291698 /nfs/dbraw/zinc/29/16/98/514291698.db2.gz GBASZLIIOHNMCU-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000417357758 514309446 /nfs/dbraw/zinc/30/94/46/514309446.db2.gz SASFNBFNIOFSLY-QUCCMNQESA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000420813552 514314743 /nfs/dbraw/zinc/31/47/43/514314743.db2.gz VRPHUNIYSKANTA-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000420813552 514314748 /nfs/dbraw/zinc/31/47/48/514314748.db2.gz VRPHUNIYSKANTA-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000414833141 514315654 /nfs/dbraw/zinc/31/56/54/514315654.db2.gz RBLCHTMUTNNGEH-STQMWFEESA-N 1 3 354.292 2.755 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000414833141 514315656 /nfs/dbraw/zinc/31/56/56/514315656.db2.gz RBLCHTMUTNNGEH-STQMWFEESA-N 1 3 354.292 2.755 20 0 FFADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000449718809 514321457 /nfs/dbraw/zinc/32/14/57/514321457.db2.gz PPIHMOSSKSKSDA-SOLBZPMBSA-N 1 3 369.431 2.685 20 0 FFADHO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000417379715 514322560 /nfs/dbraw/zinc/32/25/60/514322560.db2.gz JSIVULWDYMRITR-QGZVFWFLSA-N 1 3 364.530 2.845 20 0 FFADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414856686 514325653 /nfs/dbraw/zinc/32/56/53/514325653.db2.gz ZIGPNJRJJODDAZ-KSSFIOAISA-N 1 3 360.502 2.715 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414932233 514361284 /nfs/dbraw/zinc/36/12/84/514361284.db2.gz CMNJKFKBOHTBHL-ZOWXZIJZSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414932233 514361288 /nfs/dbraw/zinc/36/12/88/514361288.db2.gz CMNJKFKBOHTBHL-ZOWXZIJZSA-N 1 3 354.292 2.754 20 0 FFADHO FC(F)(F)[C@H](CNCc1ccc(Cl)c2cccnc12)N1CC[NH2+]CC1 ZINC000414967365 514379717 /nfs/dbraw/zinc/37/97/17/514379717.db2.gz DYMSMUBKXUFTEI-HNNXBMFYSA-N 1 3 372.822 2.814 20 0 FFADHO FC(F)(F)[C@@H](CNCc1cccc(-c2cccnc2)c1)N1CC[NH2+]CC1 ZINC000414987505 514388204 /nfs/dbraw/zinc/38/82/04/514388204.db2.gz OPCWVMJMYQNOTF-GOSISDBHSA-N 1 3 364.415 2.674 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000452575934 514409405 /nfs/dbraw/zinc/40/94/05/514409405.db2.gz YLJJHOYMPXUSME-GOSISDBHSA-N 1 3 373.541 2.964 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415063444 514423225 /nfs/dbraw/zinc/42/32/25/514423225.db2.gz IAXBXWIPHWYZQF-KUHUBIRLSA-N 1 3 372.513 2.859 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000415086186 514437760 /nfs/dbraw/zinc/43/77/60/514437760.db2.gz RJVXLIJINPMSQB-KVJIRVJXSA-N 1 3 373.541 2.788 20 0 FFADHO CCOCc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415124727 514454488 /nfs/dbraw/zinc/45/44/88/514454488.db2.gz NEVCUHRTNOTNJK-PZJWPPBQSA-N 1 3 362.514 2.950 20 0 FFADHO O=C1N[C@H]2CN(Cc3cccc4ccccc43)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134798 514461726 /nfs/dbraw/zinc/46/17/26/514461726.db2.gz FAOIQVFQKRXBDD-LEWJYISDSA-N 1 3 364.493 2.560 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)Cc3cnccn3)CC2)cc1 ZINC000453076995 514537480 /nfs/dbraw/zinc/53/74/80/514537480.db2.gz ADWSCCWXRJOMOC-KRWDZBQOSA-N 1 3 354.498 2.918 20 0 FFADHO CN(C)C1(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)Cc2ccccc2C1 ZINC000466011858 514540356 /nfs/dbraw/zinc/54/03/56/514540356.db2.gz RCIVLLKBZQZTLB-LJQANCHMSA-N 1 3 374.573 2.751 20 0 FFADHO O[C@@H](CN[C@@H](Cc1ccccc1Br)C1CC1)C[NH+]1CCCC1 ZINC000453090715 514541410 /nfs/dbraw/zinc/54/14/10/514541410.db2.gz KVTCEBULTMFNFH-WMZOPIPTSA-N 1 3 367.331 2.817 20 0 FFADHO O[C@H](CN[C@@H](Cc1ccccc1Br)C1CC1)C[NH+]1CCCC1 ZINC000453090712 514541800 /nfs/dbraw/zinc/54/18/00/514541800.db2.gz KVTCEBULTMFNFH-AEFFLSMTSA-N 1 3 367.331 2.817 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ncc(-c2ccccc2)n1C ZINC000453110839 514547904 /nfs/dbraw/zinc/54/79/04/514547904.db2.gz OSRATHMGJRHIMY-HKUYNNGSSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ncc(-c2ccccc2)n1C ZINC000453110839 514547908 /nfs/dbraw/zinc/54/79/08/514547908.db2.gz OSRATHMGJRHIMY-HKUYNNGSSA-N 1 3 356.514 2.975 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000466100261 514558603 /nfs/dbraw/zinc/55/86/03/514558603.db2.gz LIRSSUFPAVBKOH-UHFFFAOYSA-N 1 3 362.518 2.871 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CN1Cc1ccccc1 ZINC000455517402 514569873 /nfs/dbraw/zinc/56/98/73/514569873.db2.gz AVMMMHGFZIWTBQ-YLJYHZDGSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CN1Cc1ccccc1 ZINC000466210926 514577320 /nfs/dbraw/zinc/57/73/20/514577320.db2.gz OMYWKQXNSQSMPD-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CN1Cc1ccccc1 ZINC000466210926 514577326 /nfs/dbraw/zinc/57/73/26/514577326.db2.gz OMYWKQXNSQSMPD-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475178487 514579567 /nfs/dbraw/zinc/57/95/67/514579567.db2.gz QXXAJBMUPHZBEL-UYAOXDASSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475178487 514579573 /nfs/dbraw/zinc/57/95/73/514579573.db2.gz QXXAJBMUPHZBEL-UYAOXDASSA-N 1 3 356.514 2.529 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC000466228208 514583517 /nfs/dbraw/zinc/58/35/17/514583517.db2.gz UUYPQOUVKPFTNL-LZQZEXGQSA-N 1 3 350.551 2.669 20 0 FFADHO COc1cc(C)c(C[C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OC ZINC000502286196 514604520 /nfs/dbraw/zinc/60/45/20/514604520.db2.gz WRZYHXQYFIPUFM-KRWDZBQOSA-N 1 3 363.546 2.559 20 0 FFADHO COc1cc(C)c(C[C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OC ZINC000502286197 514605048 /nfs/dbraw/zinc/60/50/48/514605048.db2.gz WRZYHXQYFIPUFM-QGZVFWFLSA-N 1 3 363.546 2.559 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000508020314 514640105 /nfs/dbraw/zinc/64/01/05/514640105.db2.gz BLSJUNLCJZCISN-IBGZPJMESA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc(OCCN(C)C)c1 ZINC000484480200 514664685 /nfs/dbraw/zinc/66/46/85/514664685.db2.gz LTTKFXOTKPWPSV-QFBILLFUSA-N 1 3 351.560 2.715 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000466519742 514672071 /nfs/dbraw/zinc/67/20/71/514672071.db2.gz AUMKNGGQADTFBE-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455768996 514728151 /nfs/dbraw/zinc/72/81/51/514728151.db2.gz KZKCOFBBHFEAJS-CEXWTWQISA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455768996 514728163 /nfs/dbraw/zinc/72/81/63/514728163.db2.gz KZKCOFBBHFEAJS-CEXWTWQISA-N 1 3 361.555 2.580 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000502823744 514794170 /nfs/dbraw/zinc/79/41/70/514794170.db2.gz BPFZKYPSTYAKST-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000502823744 514794182 /nfs/dbraw/zinc/79/41/82/514794182.db2.gz BPFZKYPSTYAKST-SJORKVTESA-N 1 3 364.559 2.696 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000466935254 514832903 /nfs/dbraw/zinc/83/29/03/514832903.db2.gz UBBPFZXDJDXQSC-FXAWDEMLSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000466935254 514832908 /nfs/dbraw/zinc/83/29/08/514832908.db2.gz UBBPFZXDJDXQSC-FXAWDEMLSA-N 1 3 362.562 2.767 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000471386586 514861888 /nfs/dbraw/zinc/86/18/88/514861888.db2.gz UYISFKGKUFUTIP-UHFFFAOYSA-N 1 3 355.526 2.912 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000471397320 514866322 /nfs/dbraw/zinc/86/63/22/514866322.db2.gz ABUPXAMRXDPVDF-RTBURBONSA-N 1 3 357.542 2.919 20 0 FFADHO COC1(C[NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCCCC1 ZINC000480377793 514938588 /nfs/dbraw/zinc/93/85/88/514938588.db2.gz PBIZRHRDOPFNOW-HXUWFJFHSA-N 1 3 373.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000462206344 514941582 /nfs/dbraw/zinc/94/15/82/514941582.db2.gz BJKZVXJSXRSSCB-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCCN(C)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458626020 514968076 /nfs/dbraw/zinc/96/80/76/514968076.db2.gz FXAQFTXBLGGJQY-WAOWUJCRSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCCN(C)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458626020 514968086 /nfs/dbraw/zinc/96/80/86/514968086.db2.gz FXAQFTXBLGGJQY-WAOWUJCRSA-N 1 3 362.562 2.767 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000458640524 514979540 /nfs/dbraw/zinc/97/95/40/514979540.db2.gz VPDBKBKOFQAVFL-JENIJYKNSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000458640524 514979553 /nfs/dbraw/zinc/97/95/53/514979553.db2.gz VPDBKBKOFQAVFL-JENIJYKNSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000485276231 514981868 /nfs/dbraw/zinc/98/18/68/514981868.db2.gz OWAMRRAHLACVFO-MSOLQXFVSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000485276231 514981872 /nfs/dbraw/zinc/98/18/72/514981872.db2.gz OWAMRRAHLACVFO-MSOLQXFVSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000489825039 514989995 /nfs/dbraw/zinc/98/99/95/514989995.db2.gz DQDPZJSSGLRFCY-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000489825039 514990004 /nfs/dbraw/zinc/99/00/04/514990004.db2.gz DQDPZJSSGLRFCY-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498688762 515024158 /nfs/dbraw/zinc/02/41/58/515024158.db2.gz HXMYZRNOFCCQBX-FBBABVLZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498688762 515024169 /nfs/dbraw/zinc/02/41/69/515024169.db2.gz HXMYZRNOFCCQBX-FBBABVLZSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000503419874 515026258 /nfs/dbraw/zinc/02/62/58/515026258.db2.gz HWVNXHCDAQAKEN-CTWPCTMYSA-N 1 3 362.493 2.745 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000458737113 515055796 /nfs/dbraw/zinc/05/57/96/515055796.db2.gz PGFMMDFDPIKVBH-TZIWHRDSSA-N 1 3 362.562 2.911 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000458737113 515055808 /nfs/dbraw/zinc/05/58/08/515055808.db2.gz PGFMMDFDPIKVBH-TZIWHRDSSA-N 1 3 362.562 2.911 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000462516129 515100552 /nfs/dbraw/zinc/10/05/52/515100552.db2.gz WNCBGMUSMOKHAR-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000462516129 515100560 /nfs/dbraw/zinc/10/05/60/515100560.db2.gz WNCBGMUSMOKHAR-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000485616502 515114684 /nfs/dbraw/zinc/11/46/84/515114684.db2.gz AZAKDACNZXSDFU-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000458881519 515167886 /nfs/dbraw/zinc/16/78/86/515167886.db2.gz DOATVMXORMTGJE-MRXNPFEDSA-N 1 3 352.548 2.651 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)N(C)C)cc1 ZINC000458882384 515170261 /nfs/dbraw/zinc/17/02/61/515170261.db2.gz DZRDKDDJAXQCRE-MAUKXSAKSA-N 1 3 364.559 2.604 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000458936823 515213680 /nfs/dbraw/zinc/21/36/80/515213680.db2.gz NOPKUEFQUCEDBZ-QYZOEREBSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000458936823 515213688 /nfs/dbraw/zinc/21/36/88/515213688.db2.gz NOPKUEFQUCEDBZ-QYZOEREBSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000458941343 515217410 /nfs/dbraw/zinc/21/74/10/515217410.db2.gz SQPTZQXMPHMAHI-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)cs1 ZINC000459019007 515268813 /nfs/dbraw/zinc/26/88/13/515268813.db2.gz NGICJSBHOVLLKW-INIZCTEOSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)cs1 ZINC000459019007 515268822 /nfs/dbraw/zinc/26/88/22/515268822.db2.gz NGICJSBHOVLLKW-INIZCTEOSA-N 1 3 352.548 2.614 20 0 FFADHO C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490650205 515272726 /nfs/dbraw/zinc/27/27/26/515272726.db2.gz PQUVKFSHSMAOFE-YJBOKZPZSA-N 1 3 353.457 2.746 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490650205 515272731 /nfs/dbraw/zinc/27/27/31/515272731.db2.gz PQUVKFSHSMAOFE-YJBOKZPZSA-N 1 3 353.457 2.746 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509657098 515276340 /nfs/dbraw/zinc/27/63/40/515276340.db2.gz IIGOMXXAVCLFST-JOCHJYFZSA-N 1 3 370.585 2.862 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509657098 515276346 /nfs/dbraw/zinc/27/63/46/515276346.db2.gz IIGOMXXAVCLFST-JOCHJYFZSA-N 1 3 370.585 2.862 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccco1 ZINC000499332617 515288239 /nfs/dbraw/zinc/28/82/39/515288239.db2.gz YZVIVBLLJZXQNI-JYJNAYRXSA-N 1 3 352.523 2.984 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCN(C)C2CC2)cc1 ZINC000490872560 515321274 /nfs/dbraw/zinc/32/12/74/515321274.db2.gz BKMLPQVDHGUTDI-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCN(C)C2CC2)cc1 ZINC000490872560 515321280 /nfs/dbraw/zinc/32/12/80/515321280.db2.gz BKMLPQVDHGUTDI-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccccc1Cl ZINC000499510884 515351951 /nfs/dbraw/zinc/35/19/51/515351951.db2.gz XYQJYIYLCFOENZ-INIZCTEOSA-N 1 3 367.921 2.593 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccccc1Cl ZINC000499510884 515351961 /nfs/dbraw/zinc/35/19/61/515351961.db2.gz XYQJYIYLCFOENZ-INIZCTEOSA-N 1 3 367.921 2.593 20 0 FFADHO CCc1ccc(OCC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000499511182 515353087 /nfs/dbraw/zinc/35/30/87/515353087.db2.gz ZEKZBHAQSRBHTC-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CCc1ccc(OCC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000499511182 515353094 /nfs/dbraw/zinc/35/30/94/515353094.db2.gz ZEKZBHAQSRBHTC-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000468467777 515372101 /nfs/dbraw/zinc/37/21/01/515372101.db2.gz BTWLUGDIJGVUGL-MOPGFXCFSA-N 1 3 372.557 2.821 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000468467777 515372110 /nfs/dbraw/zinc/37/21/10/515372110.db2.gz BTWLUGDIJGVUGL-MOPGFXCFSA-N 1 3 372.557 2.821 20 0 FFADHO CC[NH+]1CCC(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000504786035 515374545 /nfs/dbraw/zinc/37/45/45/515374545.db2.gz MZMPOOWMHJSXGV-UHFFFAOYSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486246281 515398251 /nfs/dbraw/zinc/39/82/51/515398251.db2.gz URKCBECZWFHGFA-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486246281 515398257 /nfs/dbraw/zinc/39/82/57/515398257.db2.gz URKCBECZWFHGFA-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)N1CCC(O)(C[NH2+][C@H]2C[C@@H](C)CN(Cc3ccccc3)C2)CC1 ZINC000468559009 515414814 /nfs/dbraw/zinc/41/48/14/515414814.db2.gz GGJJNDPYEWLNKP-CTNGQTDRSA-N 1 3 359.558 2.722 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486276192 515415094 /nfs/dbraw/zinc/41/50/94/515415094.db2.gz PHFHNLNAAHFNER-SVFBPWRDSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486276192 515415099 /nfs/dbraw/zinc/41/50/99/515415099.db2.gz PHFHNLNAAHFNER-SVFBPWRDSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000459245877 515420965 /nfs/dbraw/zinc/42/09/65/515420965.db2.gz BQYVZNCOICJYDM-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000459245877 515420974 /nfs/dbraw/zinc/42/09/74/515420974.db2.gz BQYVZNCOICJYDM-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000454361113 515431066 /nfs/dbraw/zinc/43/10/66/515431066.db2.gz UWVYYHPHYRUHFW-HXUWFJFHSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000454361113 515431074 /nfs/dbraw/zinc/43/10/74/515431074.db2.gz UWVYYHPHYRUHFW-HXUWFJFHSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454373525 515439739 /nfs/dbraw/zinc/43/97/39/515439739.db2.gz RDFGJUHPRZYCIS-IEBWSBKVSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454373525 515439747 /nfs/dbraw/zinc/43/97/47/515439747.db2.gz RDFGJUHPRZYCIS-IEBWSBKVSA-N 1 3 358.530 2.996 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459273252 515440007 /nfs/dbraw/zinc/44/00/07/515440007.db2.gz XYEYTCVHJBTGCO-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459273252 515440015 /nfs/dbraw/zinc/44/00/15/515440015.db2.gz XYEYTCVHJBTGCO-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505180221 515467519 /nfs/dbraw/zinc/46/75/19/515467519.db2.gz QXKRNEARHILKSY-MRXNPFEDSA-N 1 3 353.457 2.600 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000468709809 515481832 /nfs/dbraw/zinc/48/18/32/515481832.db2.gz ONRNDGPKPUVPIA-HUUCEWRRSA-N 1 3 353.457 2.728 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1cccc(NC2CCN(C3CC3)CC2)c1 ZINC000459355173 515496533 /nfs/dbraw/zinc/49/65/33/515496533.db2.gz WEFJRBSSKDZHSI-UHFFFAOYSA-N 1 3 358.530 2.797 20 0 FFADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1c1ccccc1 ZINC000459421896 515541552 /nfs/dbraw/zinc/54/15/52/515541552.db2.gz XJZWNFLLMOMUOD-HXUWFJFHSA-N 1 3 350.466 2.836 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CCc2ccccc2C1 ZINC000510497866 515558683 /nfs/dbraw/zinc/55/86/83/515558683.db2.gz AJEPRTSTPKLAHG-UWJYYQICSA-N 1 3 370.541 2.773 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CCc2ccccc2C1 ZINC000510497866 515558691 /nfs/dbraw/zinc/55/86/91/515558691.db2.gz AJEPRTSTPKLAHG-UWJYYQICSA-N 1 3 370.541 2.773 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000477721855 515568039 /nfs/dbraw/zinc/56/80/39/515568039.db2.gz IGVGFSGAOXGOKX-IAGOWNOFSA-N 1 3 359.514 2.702 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000510535090 515573808 /nfs/dbraw/zinc/57/38/08/515573808.db2.gz DHQKDCXGACAWDK-MJGOQNOKSA-N 1 3 350.551 2.693 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C[NH+]1CCCC1 ZINC000454615347 515610548 /nfs/dbraw/zinc/61/05/48/515610548.db2.gz JCKCFGCKEANBTA-PMACEKPBSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000454648509 515638303 /nfs/dbraw/zinc/63/83/03/515638303.db2.gz RSLDRTKTLMIUIO-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000454648509 515638323 /nfs/dbraw/zinc/63/83/23/515638323.db2.gz RSLDRTKTLMIUIO-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000505760519 515660391 /nfs/dbraw/zinc/66/03/91/515660391.db2.gz TVDXKKFUEGSABS-VAMGGRTRSA-N 1 3 361.505 2.804 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000505760519 515660397 /nfs/dbraw/zinc/66/03/97/515660397.db2.gz TVDXKKFUEGSABS-VAMGGRTRSA-N 1 3 361.505 2.804 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000493975797 515702385 /nfs/dbraw/zinc/70/23/85/515702385.db2.gz HCLXMTMIZNIHCN-QHAWAJNXSA-N 1 3 374.525 2.691 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC000510970819 515733151 /nfs/dbraw/zinc/73/31/51/515733151.db2.gz SYLVQEGVEUFPNH-UYAOXDASSA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)NCCN2CCC(C)CC2)cc1 ZINC000494344931 515815723 /nfs/dbraw/zinc/81/57/23/515815723.db2.gz UYWWOUFWLNLYJR-UHFFFAOYSA-N 1 3 361.530 2.869 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494490911 515860368 /nfs/dbraw/zinc/86/03/68/515860368.db2.gz HYEGTOOCMAWXMO-GSPCLOLRSA-N 1 3 371.569 2.988 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494490911 515860377 /nfs/dbraw/zinc/86/03/77/515860377.db2.gz HYEGTOOCMAWXMO-GSPCLOLRSA-N 1 3 371.569 2.988 20 0 FFADHO CC[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494490911 515860380 /nfs/dbraw/zinc/86/03/80/515860380.db2.gz HYEGTOOCMAWXMO-GSPCLOLRSA-N 1 3 371.569 2.988 20 0 FFADHO CN(CCNC(=O)C1CC[NH+](C[C@@H]2CCCCO2)CC1)Cc1ccccc1 ZINC000494544469 515876852 /nfs/dbraw/zinc/87/68/52/515876852.db2.gz IMLPMPRRUONTAL-NRFANRHFSA-N 1 3 373.541 2.516 20 0 FFADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000494618933 515899076 /nfs/dbraw/zinc/89/90/76/515899076.db2.gz GEODZVACLQULMM-LAUBAEHRSA-N 1 3 369.509 2.844 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[N@H+](C)C1CC1 ZINC000511446608 515909201 /nfs/dbraw/zinc/90/92/01/515909201.db2.gz PZDDMPBGCXSHCR-QAPCUYQASA-N 1 3 365.468 2.743 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[N@@H+](C)C1CC1 ZINC000511446608 515909210 /nfs/dbraw/zinc/90/92/10/515909210.db2.gz PZDDMPBGCXSHCR-QAPCUYQASA-N 1 3 365.468 2.743 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483086153 515916817 /nfs/dbraw/zinc/91/68/17/515916817.db2.gz HNGXVAASBZSCAZ-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483086153 515916827 /nfs/dbraw/zinc/91/68/27/515916827.db2.gz HNGXVAASBZSCAZ-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO CCCCNC(=O)C1([NH2+]CCCN2CCN(C(C)C)CC2)CCCCC1 ZINC000501028873 515942296 /nfs/dbraw/zinc/94/22/96/515942296.db2.gz LOLWITILWNGOMX-UHFFFAOYSA-N 1 3 366.594 2.611 20 0 FFADHO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501053913 515954260 /nfs/dbraw/zinc/95/42/60/515954260.db2.gz OYSFVSWSZMPWRA-NRFANRHFSA-N 1 3 369.509 2.978 20 0 FFADHO Cc1cccc(OC[C@@H](O)C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501053913 515954268 /nfs/dbraw/zinc/95/42/68/515954268.db2.gz OYSFVSWSZMPWRA-NRFANRHFSA-N 1 3 369.509 2.978 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnc(OC)c(Cl)c2)[C@H](C)C1 ZINC000469794137 515969342 /nfs/dbraw/zinc/96/93/42/515969342.db2.gz MXZZOYUSNMIYMT-PBHICJAKSA-N 1 3 355.910 2.970 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N(CC)CC ZINC000474291482 515975418 /nfs/dbraw/zinc/97/54/18/515975418.db2.gz KSNOUDRHHVFQOA-ZTFGCOKTSA-N 1 3 353.457 2.647 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)N(C)C)cc1 ZINC000474293760 515975830 /nfs/dbraw/zinc/97/58/30/515975830.db2.gz QOXBMTZWXJRBPU-OAQYLSRUSA-N 1 3 351.494 2.716 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)N1CCc2ccccc2C1 ZINC000487829828 515997293 /nfs/dbraw/zinc/99/72/93/515997293.db2.gz BIXMINCDVUWSNF-IRLDBZIGSA-N 1 3 370.541 2.561 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)N1CCc2ccccc2C1 ZINC000487829828 515997301 /nfs/dbraw/zinc/99/73/01/515997301.db2.gz BIXMINCDVUWSNF-IRLDBZIGSA-N 1 3 370.541 2.561 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000483237073 515998247 /nfs/dbraw/zinc/99/82/47/515998247.db2.gz YOSWCIUCIXYMPY-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1)[C@@H]1CCC[NH2+]1 ZINC000469863272 516003393 /nfs/dbraw/zinc/00/33/93/516003393.db2.gz OXGOFGTXNNFDAE-KDOFPFPSSA-N 1 3 359.445 2.652 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCCCC1)Cc1ccccc1 ZINC000501254576 516030318 /nfs/dbraw/zinc/03/03/18/516030318.db2.gz AWROLAPADPMUIR-FQEVSTJZSA-N 1 3 360.546 2.725 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000487933281 516039522 /nfs/dbraw/zinc/03/95/22/516039522.db2.gz IODBZKNNPNIPSO-JENIJYKNSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000487933281 516039530 /nfs/dbraw/zinc/03/95/30/516039530.db2.gz IODBZKNNPNIPSO-JENIJYKNSA-N 1 3 358.530 2.679 20 0 FFADHO CN1CCCN(CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495082790 516059444 /nfs/dbraw/zinc/05/94/44/516059444.db2.gz XSJQMZYHBHTNED-WIYYLYMNSA-N 1 3 363.521 2.911 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)N1CCc2ccccc2C1 ZINC000501330747 516064955 /nfs/dbraw/zinc/06/49/55/516064955.db2.gz JHTMJXOQDPNNBI-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)N1CCc2ccccc2C1 ZINC000501330747 516064960 /nfs/dbraw/zinc/06/49/60/516064960.db2.gz JHTMJXOQDPNNBI-RXVVDRJESA-N 1 3 372.557 2.854 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000470007283 516077326 /nfs/dbraw/zinc/07/73/26/516077326.db2.gz ABBUOVJLGOERFO-HXUWFJFHSA-N 1 3 367.493 2.553 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCN(C2CC2)C1 ZINC000457697044 516078046 /nfs/dbraw/zinc/07/80/46/516078046.db2.gz QFOBBMHNVVKPDY-APWZRJJASA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000457704321 516081962 /nfs/dbraw/zinc/08/19/62/516081962.db2.gz XSIMQBVRXNJYSA-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000457704321 516081972 /nfs/dbraw/zinc/08/19/72/516081972.db2.gz XSIMQBVRXNJYSA-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](CN)c3ccc(F)cc3)C2)CC1 ZINC000479191519 516098428 /nfs/dbraw/zinc/09/84/28/516098428.db2.gz TTYHFQBKVXXFHQ-XLIONFOSSA-N 1 3 361.505 2.839 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000457728457 516101755 /nfs/dbraw/zinc/10/17/55/516101755.db2.gz GOKZQAPZLRUJBV-CEXWTWQISA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000457728457 516101765 /nfs/dbraw/zinc/10/17/65/516101765.db2.gz GOKZQAPZLRUJBV-CEXWTWQISA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](CCNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000479222276 516113609 /nfs/dbraw/zinc/11/36/09/516113609.db2.gz KAVLGCOIMZSINH-UZLBHIALSA-N 1 3 357.473 2.895 20 0 FFADHO C[C@H](CCNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000479222276 516113615 /nfs/dbraw/zinc/11/36/15/516113615.db2.gz KAVLGCOIMZSINH-UZLBHIALSA-N 1 3 357.473 2.895 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457743891 516114054 /nfs/dbraw/zinc/11/40/54/516114054.db2.gz REYHMVGZTRIFQJ-ICSRJNTNSA-N 1 3 350.551 2.626 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457743891 516114065 /nfs/dbraw/zinc/11/40/65/516114065.db2.gz REYHMVGZTRIFQJ-ICSRJNTNSA-N 1 3 350.551 2.626 20 0 FFADHO NC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000479228726 516117811 /nfs/dbraw/zinc/11/78/11/516117811.db2.gz WJIJBTCQBXTXHY-GHTZIAJQSA-N 1 3 369.484 2.549 20 0 FFADHO NC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000479228726 516117818 /nfs/dbraw/zinc/11/78/18/516117818.db2.gz WJIJBTCQBXTXHY-GHTZIAJQSA-N 1 3 369.484 2.549 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(c2ccccc2)CC1 ZINC000465492983 516169433 /nfs/dbraw/zinc/16/94/33/516169433.db2.gz MFBCNGWVWPKVNP-FQEVSTJZSA-N 1 3 372.557 2.776 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(c2ccccc2)CC1 ZINC000465492983 516169441 /nfs/dbraw/zinc/16/94/41/516169441.db2.gz MFBCNGWVWPKVNP-FQEVSTJZSA-N 1 3 372.557 2.776 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000483695781 516177117 /nfs/dbraw/zinc/17/71/17/516177117.db2.gz GGCKBRZGSDMVES-UHFFFAOYSA-N 1 3 358.530 2.954 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000470276768 516191810 /nfs/dbraw/zinc/19/18/10/516191810.db2.gz HTNKZUXERRXAFC-QUCCMNQESA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000470276768 516191817 /nfs/dbraw/zinc/19/18/17/516191817.db2.gz HTNKZUXERRXAFC-QUCCMNQESA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000507412414 516206864 /nfs/dbraw/zinc/20/68/64/516206864.db2.gz FFGCPHYOUGYYEL-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000507412414 516206871 /nfs/dbraw/zinc/20/68/71/516206871.db2.gz FFGCPHYOUGYYEL-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[C@@]1(NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCOC1 ZINC000512238275 516207622 /nfs/dbraw/zinc/20/76/22/516207622.db2.gz ZQJFVQFIWZPVRV-JOCHJYFZSA-N 1 3 373.541 2.624 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000460657416 516214507 /nfs/dbraw/zinc/21/45/07/516214507.db2.gz QBCQJSXRGIWQEJ-KRWDZBQOSA-N 1 3 361.534 2.718 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000460657416 516214516 /nfs/dbraw/zinc/21/45/16/516214516.db2.gz QBCQJSXRGIWQEJ-KRWDZBQOSA-N 1 3 361.534 2.718 20 0 FFADHO CC[NH+](CC)CC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000488404642 516216533 /nfs/dbraw/zinc/21/65/33/516216533.db2.gz HOMRYABVJVKPIS-UHFFFAOYSA-N 1 3 362.905 2.902 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000465638557 516217665 /nfs/dbraw/zinc/21/76/65/516217665.db2.gz UCUJFBROIWPBSR-HXUWFJFHSA-N 1 3 360.546 2.882 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000465638557 516217674 /nfs/dbraw/zinc/21/76/74/516217674.db2.gz UCUJFBROIWPBSR-HXUWFJFHSA-N 1 3 360.546 2.882 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000488432322 516222957 /nfs/dbraw/zinc/22/29/57/516222957.db2.gz SNWHHRFIJXVLNC-VQIMIIECSA-N 1 3 364.534 2.716 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000465681278 516226855 /nfs/dbraw/zinc/22/68/55/516226855.db2.gz AOHVIWQXOJAVNZ-LPHOPBHVSA-N 1 3 358.530 2.605 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000465681278 516226863 /nfs/dbraw/zinc/22/68/63/516226863.db2.gz AOHVIWQXOJAVNZ-LPHOPBHVSA-N 1 3 358.530 2.605 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000465691345 516229639 /nfs/dbraw/zinc/22/96/39/516229639.db2.gz LTWGDWSGCVVJLO-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCC(C)CC1 ZINC000465754918 516247893 /nfs/dbraw/zinc/24/78/93/516247893.db2.gz MBUVXSAIVJEDTO-ACBHZAAOSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCC(C)CC1 ZINC000465754918 516247900 /nfs/dbraw/zinc/24/79/00/516247900.db2.gz MBUVXSAIVJEDTO-ACBHZAAOSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000465778799 516255336 /nfs/dbraw/zinc/25/53/36/516255336.db2.gz IFISZYORPFMNJJ-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000465778799 516255343 /nfs/dbraw/zinc/25/53/43/516255343.db2.gz IFISZYORPFMNJJ-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000465789391 516257133 /nfs/dbraw/zinc/25/71/33/516257133.db2.gz ROAXRGBHWYGNRN-RTWAWAEBSA-N 1 3 372.557 2.601 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000465789391 516257141 /nfs/dbraw/zinc/25/71/41/516257141.db2.gz ROAXRGBHWYGNRN-RTWAWAEBSA-N 1 3 372.557 2.601 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000465789389 516257524 /nfs/dbraw/zinc/25/75/24/516257524.db2.gz ROAXRGBHWYGNRN-LEWJYISDSA-N 1 3 372.557 2.601 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000465789389 516257530 /nfs/dbraw/zinc/25/75/30/516257530.db2.gz ROAXRGBHWYGNRN-LEWJYISDSA-N 1 3 372.557 2.601 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000470475675 516264173 /nfs/dbraw/zinc/26/41/73/516264173.db2.gz WDWMEKDQBDZQFU-UHFFFAOYSA-N 1 3 370.582 2.684 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)CC1 ZINC000465813781 516264386 /nfs/dbraw/zinc/26/43/86/516264386.db2.gz OMMVDGWGQWMZGH-JENIJYKNSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)N(C)Cc1ccccc1 ZINC000496631725 516272066 /nfs/dbraw/zinc/27/20/66/516272066.db2.gz MAIHOBIQLIZASU-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000496645430 516274494 /nfs/dbraw/zinc/27/44/94/516274494.db2.gz BAMPVZFBDZVOPJ-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000496645430 516274500 /nfs/dbraw/zinc/27/45/00/516274500.db2.gz BAMPVZFBDZVOPJ-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CCN1C ZINC000465873779 516276961 /nfs/dbraw/zinc/27/69/61/516276961.db2.gz QNFOHARUTLSDCT-BHIYHBOVSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCN1C ZINC000465873779 516276966 /nfs/dbraw/zinc/27/69/66/516276966.db2.gz QNFOHARUTLSDCT-BHIYHBOVSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000497510607 516324651 /nfs/dbraw/zinc/32/46/51/516324651.db2.gz ZRXQPCLNFMLTCW-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000497510607 516324652 /nfs/dbraw/zinc/32/46/52/516324652.db2.gz ZRXQPCLNFMLTCW-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000497510578 516324787 /nfs/dbraw/zinc/32/47/87/516324787.db2.gz ZRXQPCLNFMLTCW-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000497510578 516324788 /nfs/dbraw/zinc/32/47/88/516324788.db2.gz ZRXQPCLNFMLTCW-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522879396 516339453 /nfs/dbraw/zinc/33/94/53/516339453.db2.gz BAUNHZTZBLTKOT-UYAOXDASSA-N 1 3 360.546 2.920 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc(C)ccc3OC)CC2)CC1 ZINC000557634594 516349249 /nfs/dbraw/zinc/34/92/49/516349249.db2.gz KYFPMPKHJQFULU-UHFFFAOYSA-N 1 3 360.502 2.533 20 0 FFADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C[NH+](C)C ZINC000561092845 516373528 /nfs/dbraw/zinc/37/35/28/516373528.db2.gz LCPGSUYPGGGDMI-MAUKXSAKSA-N 1 3 371.447 2.755 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000543714053 516386472 /nfs/dbraw/zinc/38/64/72/516386472.db2.gz CKSHBKLXCFEAOF-UHFFFAOYSA-N 1 3 354.498 2.807 20 0 FFADHO C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000550883300 516466450 /nfs/dbraw/zinc/46/64/50/516466450.db2.gz YEMBMNWOYQICGJ-PZJWPPBQSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@@H](Cn1cccn1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883300 516466458 /nfs/dbraw/zinc/46/64/58/516466458.db2.gz YEMBMNWOYQICGJ-PZJWPPBQSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@@H](Cn1cccn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550883300 516466469 /nfs/dbraw/zinc/46/64/69/516466469.db2.gz YEMBMNWOYQICGJ-PZJWPPBQSA-N 1 3 368.525 2.790 20 0 FFADHO C[C@@H]1CC[C@H](NCc2ccccc2OCC[NH+](C)C)[C@@H](n2cncn2)C1 ZINC000551030402 516530957 /nfs/dbraw/zinc/53/09/57/516530957.db2.gz NXPYRIJASKYOEQ-NEWSRXKRSA-N 1 3 357.502 2.738 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[C@H]1[NH3+] ZINC000518132029 516557767 /nfs/dbraw/zinc/55/77/67/516557767.db2.gz NRZAMGNOZFUZFL-VQIMIIECSA-N 1 3 360.502 2.752 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000518177947 516566558 /nfs/dbraw/zinc/56/65/58/516566558.db2.gz XSIZZALJQMWGBE-UHFFFAOYSA-N 1 3 361.534 2.674 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000540479971 516576082 /nfs/dbraw/zinc/57/60/82/516576082.db2.gz COPPFIQRZRLKAW-OALUTQOASA-N 1 3 373.541 2.693 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC[N@@H+]1C ZINC000513443726 516624985 /nfs/dbraw/zinc/62/49/85/516624985.db2.gz OQXAEUSFSAPULK-NJAFHUGGSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC[N@H+]1C ZINC000513443726 516624994 /nfs/dbraw/zinc/62/49/94/516624994.db2.gz OQXAEUSFSAPULK-NJAFHUGGSA-N 1 3 365.468 2.743 20 0 FFADHO CN1CCC[C@@H]1CC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528718424 516641191 /nfs/dbraw/zinc/64/11/91/516641191.db2.gz MQURJGMOCKJGQM-GOSISDBHSA-N 1 3 362.518 2.702 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000536212204 516677895 /nfs/dbraw/zinc/67/78/95/516677895.db2.gz ACIWMNXJTSKIET-VQTJNVASSA-N 1 3 373.545 2.590 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000536212204 516677900 /nfs/dbraw/zinc/67/79/00/516677900.db2.gz ACIWMNXJTSKIET-VQTJNVASSA-N 1 3 373.545 2.590 20 0 FFADHO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000528762519 516679293 /nfs/dbraw/zinc/67/92/93/516679293.db2.gz LVPRGZGIHKHQSC-ATOXUGOLSA-N 1 3 373.541 2.557 20 0 FFADHO C[N@H+](CCC(=O)N1CC[C@H](OCCN2CCCCC2)C1)C1CCCCC1 ZINC000548065093 516736091 /nfs/dbraw/zinc/73/60/91/516736091.db2.gz CMNJOSIWJHTION-FQEVSTJZSA-N 1 3 365.562 2.744 20 0 FFADHO C[N@@H+](CCC(=O)N1CC[C@H](OCCN2CCCCC2)C1)C1CCCCC1 ZINC000548065093 516736097 /nfs/dbraw/zinc/73/60/97/516736097.db2.gz CMNJOSIWJHTION-FQEVSTJZSA-N 1 3 365.562 2.744 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000514013783 516833181 /nfs/dbraw/zinc/83/31/81/516833181.db2.gz RFOBALCMNKUXMJ-FQEVSTJZSA-N 1 3 358.530 2.917 20 0 FFADHO COc1cc(F)c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000532196769 516855653 /nfs/dbraw/zinc/85/56/53/516855653.db2.gz AIKCRNJPHTZQFH-OAHLLOKOSA-N 1 3 353.482 2.521 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000514094486 516858682 /nfs/dbraw/zinc/85/86/82/516858682.db2.gz NKHFGCQNWUUHCG-CQSZACIVSA-N 1 3 357.498 2.960 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514187983 516895313 /nfs/dbraw/zinc/89/53/13/516895313.db2.gz YTBCSXUNWIMGGK-YOUFYPILSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514187983 516895319 /nfs/dbraw/zinc/89/53/19/516895319.db2.gz YTBCSXUNWIMGGK-YOUFYPILSA-N 1 3 372.557 2.927 20 0 FFADHO C[N@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC000519182137 516914618 /nfs/dbraw/zinc/91/46/18/516914618.db2.gz GJEYDQDUZJVCET-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC000519182137 516914626 /nfs/dbraw/zinc/91/46/26/516914626.db2.gz GJEYDQDUZJVCET-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000529131314 516951456 /nfs/dbraw/zinc/95/14/56/516951456.db2.gz FHIRIRVYTILNAF-TZIWHRDSSA-N 1 3 355.526 2.841 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000529131314 516951469 /nfs/dbraw/zinc/95/14/69/516951469.db2.gz FHIRIRVYTILNAF-TZIWHRDSSA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000536866682 516957642 /nfs/dbraw/zinc/95/76/42/516957642.db2.gz AAOHDCFAGDFZLX-VAMGGRTRSA-N 1 3 355.526 2.996 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000536866679 516957682 /nfs/dbraw/zinc/95/76/82/516957682.db2.gz AAOHDCFAGDFZLX-AQNXPRMDSA-N 1 3 355.526 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000519360804 516971988 /nfs/dbraw/zinc/97/19/88/516971988.db2.gz YMNDCGLYMHYNFT-ROUUACIJSA-N 1 3 358.530 2.901 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000514663385 516990137 /nfs/dbraw/zinc/99/01/37/516990137.db2.gz OIDHFULVCFVSKA-RTBURBONSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[NH+]1CCCC1 ZINC000551997327 517017436 /nfs/dbraw/zinc/01/74/36/517017436.db2.gz VOVVEPXVCOMAQY-FUHWJXTLSA-N 1 3 365.468 2.744 20 0 FFADHO O=C1CCCN1CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000532528835 517020082 /nfs/dbraw/zinc/02/00/82/517020082.db2.gz XOHOAVAIWGWRKB-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO O=C1CCCN1CCC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000532528835 517020091 /nfs/dbraw/zinc/02/00/91/517020091.db2.gz XOHOAVAIWGWRKB-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO Cn1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C1CCC1 ZINC000555625212 517025198 /nfs/dbraw/zinc/02/51/98/517025198.db2.gz XSOXOKAMDBBTEI-UHFFFAOYSA-N 1 3 358.530 2.581 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000514737750 517032197 /nfs/dbraw/zinc/03/21/97/517032197.db2.gz XGTQHBINDIUKRJ-JLJPHGGASA-N 1 3 369.431 2.913 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)C2)c1 ZINC000552048299 517048978 /nfs/dbraw/zinc/04/89/78/517048978.db2.gz NXARWBKBDPKYPY-KQLYMOGASA-N 1 3 359.514 2.745 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)C2)c1 ZINC000552048299 517048989 /nfs/dbraw/zinc/04/89/89/517048989.db2.gz NXARWBKBDPKYPY-KQLYMOGASA-N 1 3 359.514 2.745 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)C2)c1 ZINC000552048300 517049526 /nfs/dbraw/zinc/04/95/26/517049526.db2.gz NXARWBKBDPKYPY-LWILDLIXSA-N 1 3 359.514 2.745 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)C2)c1 ZINC000552048300 517049531 /nfs/dbraw/zinc/04/95/31/517049531.db2.gz NXARWBKBDPKYPY-LWILDLIXSA-N 1 3 359.514 2.745 20 0 FFADHO C[C@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)Cn1cccn1 ZINC000519575373 517053175 /nfs/dbraw/zinc/05/31/75/517053175.db2.gz QASPJZAYSLUEKG-GOSISDBHSA-N 1 3 355.530 2.839 20 0 FFADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000552064531 517060017 /nfs/dbraw/zinc/06/00/17/517060017.db2.gz XHIMVSXGPIRJLY-UXHICEINSA-N 1 3 372.557 2.998 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000555684296 517063159 /nfs/dbraw/zinc/06/31/59/517063159.db2.gz XSUNDRLPZPXCRS-RTBURBONSA-N 1 3 373.541 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000555684296 517063172 /nfs/dbraw/zinc/06/31/72/517063172.db2.gz XSUNDRLPZPXCRS-RTBURBONSA-N 1 3 373.541 2.600 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000514962083 517145268 /nfs/dbraw/zinc/14/52/68/517145268.db2.gz AGWWXWDUOSPWJL-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO c1ccc(CN2C[C@@H](C[NH2+]CC3=CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559326602 517184698 /nfs/dbraw/zinc/18/46/98/517184698.db2.gz XOAZYKSZPSAFGV-OAQYLSRUSA-N 1 3 356.510 2.852 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H](CNCC3=CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559326602 517184706 /nfs/dbraw/zinc/18/47/06/517184706.db2.gz XOAZYKSZPSAFGV-OAQYLSRUSA-N 1 3 356.510 2.852 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H](CNCC3=CCCOC3)C3(C2)CCOCC3)cc1 ZINC000559326602 517184715 /nfs/dbraw/zinc/18/47/15/517184715.db2.gz XOAZYKSZPSAFGV-OAQYLSRUSA-N 1 3 356.510 2.852 20 0 FFADHO CCc1nc2c(s1)[C@@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CCC2 ZINC000537446258 517190667 /nfs/dbraw/zinc/19/06/67/517190667.db2.gz KBXHJTJCGKAIMB-HOCLYGCPSA-N 1 3 366.575 2.765 20 0 FFADHO C[C@@H](NC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000515144860 517229534 /nfs/dbraw/zinc/22/95/34/517229534.db2.gz OHIGDNVUYYRZPM-MJGOQNOKSA-N 1 3 373.545 2.718 20 0 FFADHO C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000525962587 517258980 /nfs/dbraw/zinc/25/89/80/517258980.db2.gz VBJOHMVWTYWKTE-CZTZKLFOSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000525962587 517258989 /nfs/dbraw/zinc/25/89/89/517258989.db2.gz VBJOHMVWTYWKTE-CZTZKLFOSA-N 1 3 355.526 2.889 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000548883080 517277458 /nfs/dbraw/zinc/27/74/58/517277458.db2.gz LSZZNZUFMXVCMT-OAQYLSRUSA-N 1 3 355.526 2.684 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000541924019 517293345 /nfs/dbraw/zinc/29/33/45/517293345.db2.gz SZXRHDSRGUQFMT-IBGZPJMESA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000541924019 517293356 /nfs/dbraw/zinc/29/33/56/517293356.db2.gz SZXRHDSRGUQFMT-IBGZPJMESA-N 1 3 350.466 2.809 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000529716805 517306740 /nfs/dbraw/zinc/30/67/40/517306740.db2.gz DVJZTFIQYJBSCD-TZIWHRDSSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000529716805 517306751 /nfs/dbraw/zinc/30/67/51/517306751.db2.gz DVJZTFIQYJBSCD-TZIWHRDSSA-N 1 3 370.541 2.817 20 0 FFADHO CC[C@]1(CO)CCCN1Cc1cncc(C[N@@H+]2CCC[C@]2(CC)CO)c1 ZINC000562699679 517314486 /nfs/dbraw/zinc/31/44/86/517314486.db2.gz YVMORJRQWCWQND-NHCUHLMSSA-N 1 3 361.530 2.555 20 0 FFADHO CC[C@]1(CO)CCCN1Cc1cncc(C[N@H+]2CCC[C@]2(CC)CO)c1 ZINC000562699679 517314496 /nfs/dbraw/zinc/31/44/96/517314496.db2.gz YVMORJRQWCWQND-NHCUHLMSSA-N 1 3 361.530 2.555 20 0 FFADHO CC(C)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000548943431 517318715 /nfs/dbraw/zinc/31/87/15/517318715.db2.gz CIYQQAYRKHKDTM-GOSISDBHSA-N 1 3 352.498 2.658 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000533163080 517321403 /nfs/dbraw/zinc/32/14/03/517321403.db2.gz WTUUBFWSHIBZNZ-QFBILLFUSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000533163080 517321412 /nfs/dbraw/zinc/32/14/12/517321412.db2.gz WTUUBFWSHIBZNZ-QFBILLFUSA-N 1 3 358.530 2.679 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC([C@@H](C)[NH3+])CC3)c(C)c2)CC1 ZINC000562746562 517365269 /nfs/dbraw/zinc/36/52/69/517365269.db2.gz DWPZCRUKDREMGJ-QGZVFWFLSA-N 1 3 373.545 2.728 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCc2c(Br)cccc21)CN1CCCC1 ZINC000542151957 517408232 /nfs/dbraw/zinc/40/82/32/517408232.db2.gz ZBYSTQDIILHGJJ-CXAGYDPISA-N 1 3 353.304 2.873 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000537962093 517418306 /nfs/dbraw/zinc/41/83/06/517418306.db2.gz KQLAJXKDHFESFR-RVHYNSKXSA-N 1 3 371.525 2.990 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@](C)(OC)C3(C)C)CC2)CC1 ZINC000520606796 517453220 /nfs/dbraw/zinc/45/32/20/517453220.db2.gz VAVIACKHDNHBHH-WIYYLYMNSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000552967232 517458869 /nfs/dbraw/zinc/45/88/69/517458869.db2.gz IXHQUTIRHRERHZ-RRFJBIMHSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000552967232 517458876 /nfs/dbraw/zinc/45/88/76/517458876.db2.gz IXHQUTIRHRERHZ-RRFJBIMHSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCN1C ZINC000559972152 517511129 /nfs/dbraw/zinc/51/11/29/517511129.db2.gz GHIXCZRIKAJNQQ-GBJTYRQASA-N 1 3 363.468 2.836 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCN1C ZINC000559972152 517511139 /nfs/dbraw/zinc/51/11/39/517511139.db2.gz GHIXCZRIKAJNQQ-GBJTYRQASA-N 1 3 363.468 2.836 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000520784280 517511951 /nfs/dbraw/zinc/51/19/51/517511951.db2.gz CLTNZGSHKDZOMP-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000520791745 517514374 /nfs/dbraw/zinc/51/43/74/517514374.db2.gz ALCNFVZZXICFDH-NHCUHLMSSA-N 1 3 370.541 2.771 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000520819070 517523463 /nfs/dbraw/zinc/52/34/63/517523463.db2.gz OHPNJKZSWWSTFS-LEWJYISDSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000520819070 517523474 /nfs/dbraw/zinc/52/34/74/517523474.db2.gz OHPNJKZSWWSTFS-LEWJYISDSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)N1CCC(Cc2ccccc2)CC1 ZINC000516062631 517553025 /nfs/dbraw/zinc/55/30/25/517553025.db2.gz FEOVMDFFCSCAOE-GHTZIAJQSA-N 1 3 357.542 2.978 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000520935233 517555844 /nfs/dbraw/zinc/55/58/44/517555844.db2.gz ZMIYCKSVFXLFTI-GOSISDBHSA-N 1 3 350.551 2.626 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000520935233 517555856 /nfs/dbraw/zinc/55/58/56/517555856.db2.gz ZMIYCKSVFXLFTI-GOSISDBHSA-N 1 3 350.551 2.626 20 0 FFADHO CN(C)CC[NH+]1CCC(CN[C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542475519 517584888 /nfs/dbraw/zinc/58/48/88/517584888.db2.gz YJWYHRIVXCWAKL-OAQYLSRUSA-N 1 3 371.504 2.568 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)c(O)c3)CC2)CC1 ZINC000553221258 517585057 /nfs/dbraw/zinc/58/50/57/517585057.db2.gz RKFGICRNPJEPBF-UHFFFAOYSA-N 1 3 361.486 2.536 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000549502183 517591204 /nfs/dbraw/zinc/59/12/04/517591204.db2.gz YBBDJHKWZGXFKT-SKDZVZGDSA-N 1 3 364.921 2.867 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000549502183 517591215 /nfs/dbraw/zinc/59/12/15/517591215.db2.gz YBBDJHKWZGXFKT-SKDZVZGDSA-N 1 3 364.921 2.867 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000521062543 517600072 /nfs/dbraw/zinc/60/00/72/517600072.db2.gz PJOUNKXAJIAGQN-UHFFFAOYSA-N 1 3 368.472 2.524 20 0 FFADHO COc1cc2nccc(N3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2cc1OC ZINC000530173891 517608528 /nfs/dbraw/zinc/60/85/28/517608528.db2.gz COHJPCBXOZSJDZ-INIZCTEOSA-N 1 3 371.481 2.847 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000516205632 517616467 /nfs/dbraw/zinc/61/64/67/517616467.db2.gz LYWVHBHTTRWQDI-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000563068803 517633311 /nfs/dbraw/zinc/63/33/11/517633311.db2.gz QEQASLVEZYLBBH-MOPGFXCFSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000563068803 517633317 /nfs/dbraw/zinc/63/33/17/517633317.db2.gz QEQASLVEZYLBBH-MOPGFXCFSA-N 1 3 367.578 2.702 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000521271355 517677033 /nfs/dbraw/zinc/67/70/33/517677033.db2.gz GSRUQKLSAYPMJO-NUEKZKHPSA-N 1 3 355.320 2.768 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000521271355 517677038 /nfs/dbraw/zinc/67/70/38/517677038.db2.gz GSRUQKLSAYPMJO-NUEKZKHPSA-N 1 3 355.320 2.768 20 0 FFADHO CC[C@H](NCc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccn(C)n1 ZINC000542670531 517681537 /nfs/dbraw/zinc/68/15/37/517681537.db2.gz GXFGSTSHAFZSIG-FQEVSTJZSA-N 1 3 355.530 2.799 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[NH+]1CCCC1 ZINC000533986168 517695929 /nfs/dbraw/zinc/69/59/29/517695929.db2.gz LUXIQHZXGURSIO-SLFFLAALSA-N 1 3 358.530 2.851 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc3c(c2)c(C)nn3C)[C@@H](C)C1 ZINC000553464613 517728897 /nfs/dbraw/zinc/72/88/97/517728897.db2.gz IUKGSEOKKDAECH-HNAYVOBHSA-N 1 3 359.518 2.503 20 0 FFADHO CN(CCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)c1cc[nH+]cc1 ZINC000542787679 517741369 /nfs/dbraw/zinc/74/13/69/517741369.db2.gz HEGLDIFFENEVIS-QGZVFWFLSA-N 1 3 372.538 2.998 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000563250419 517769548 /nfs/dbraw/zinc/76/95/48/517769548.db2.gz PMVFUEJDMJBFOQ-NRFANRHFSA-N 1 3 370.541 2.628 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000563250419 517769559 /nfs/dbraw/zinc/76/95/59/517769559.db2.gz PMVFUEJDMJBFOQ-NRFANRHFSA-N 1 3 370.541 2.628 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccco1 ZINC000553584303 517796494 /nfs/dbraw/zinc/79/64/94/517796494.db2.gz AIBWAGPRJWVEBA-KRWDZBQOSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)Cc1ccco1 ZINC000553584303 517796505 /nfs/dbraw/zinc/79/65/05/517796505.db2.gz AIBWAGPRJWVEBA-KRWDZBQOSA-N 1 3 362.518 2.760 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nnc(C)s2)CC1 ZINC000521693740 517830769 /nfs/dbraw/zinc/83/07/69/517830769.db2.gz VZBKLWHHLNXTGG-UHFFFAOYSA-N 1 3 359.543 2.711 20 0 FFADHO CCS(=O)(=O)C[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000539298472 517982313 /nfs/dbraw/zinc/98/23/13/517982313.db2.gz RHPNYOSNQSIBMG-YQVWRLOYSA-N 1 3 352.544 2.700 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000563561382 517985009 /nfs/dbraw/zinc/98/50/09/517985009.db2.gz HSORTRRHNHGAPF-XUVXKRRUSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000563585541 518000400 /nfs/dbraw/zinc/00/04/00/518000400.db2.gz CQBAEWGIWBEVMY-XMCHAPAWSA-N 1 3 352.482 2.622 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC3CC[NH+](CC(C)C)CC3)c2cc1C ZINC000557485161 518028414 /nfs/dbraw/zinc/02/84/14/518028414.db2.gz VZDDPNJIQSDAOW-IBGZPJMESA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C3CCN(CC(C)C)CC3)c2cc1C ZINC000557485161 518028428 /nfs/dbraw/zinc/02/84/28/518028428.db2.gz VZDDPNJIQSDAOW-IBGZPJMESA-N 1 3 358.530 2.724 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000554092712 518057507 /nfs/dbraw/zinc/05/75/07/518057507.db2.gz WTNONLNSABXHAN-UKAVVXHISA-N 1 3 370.541 2.775 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000522304778 518072372 /nfs/dbraw/zinc/07/23/72/518072372.db2.gz BEWKKVCLFXMVBZ-FQEVSTJZSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000522304778 518072384 /nfs/dbraw/zinc/07/23/84/518072384.db2.gz BEWKKVCLFXMVBZ-FQEVSTJZSA-N 1 3 370.541 2.777 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C12CCC2 ZINC000539495129 518075669 /nfs/dbraw/zinc/07/56/69/518075669.db2.gz FKQRSQRPZOPSJX-WOJBJXKFSA-N 1 3 358.530 2.531 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000517417934 518144229 /nfs/dbraw/zinc/14/42/29/518144229.db2.gz FTHJBFYFADMYJC-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000517417934 518144234 /nfs/dbraw/zinc/14/42/34/518144234.db2.gz FTHJBFYFADMYJC-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535096332 518150999 /nfs/dbraw/zinc/15/09/99/518150999.db2.gz NLGHZFUFRLQXCP-VQTJNVASSA-N 1 3 373.545 2.696 20 0 FFADHO CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535096332 518151000 /nfs/dbraw/zinc/15/10/00/518151000.db2.gz NLGHZFUFRLQXCP-VQTJNVASSA-N 1 3 373.545 2.696 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000528288231 518165550 /nfs/dbraw/zinc/16/55/50/518165550.db2.gz MACSHSAYXBNRKH-PKOBYXMFSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000528288231 518165554 /nfs/dbraw/zinc/16/55/54/518165554.db2.gz MACSHSAYXBNRKH-PKOBYXMFSA-N 1 3 350.551 2.671 20 0 FFADHO CCn1c2ccccc2nc1CN(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000575367409 518205578 /nfs/dbraw/zinc/20/55/78/518205578.db2.gz ZDMNEYZMZDTIJP-SFHVURJKSA-N 1 3 357.546 2.904 20 0 FFADHO CCn1c2ccccc2nc1CN(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000575367409 518205579 /nfs/dbraw/zinc/20/55/79/518205579.db2.gz ZDMNEYZMZDTIJP-SFHVURJKSA-N 1 3 357.546 2.904 20 0 FFADHO COc1cc(NC(=O)CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)cc1Cl ZINC000572476433 518211373 /nfs/dbraw/zinc/21/13/73/518211373.db2.gz XVAIOZCUSSKEEM-STQMWFEESA-N 1 3 369.893 2.758 20 0 FFADHO COc1cc(NC(=O)CCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)cc1Cl ZINC000572476433 518211378 /nfs/dbraw/zinc/21/13/78/518211378.db2.gz XVAIOZCUSSKEEM-STQMWFEESA-N 1 3 369.893 2.758 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@@H](C)C1 ZINC000584233996 518241396 /nfs/dbraw/zinc/24/13/96/518241396.db2.gz NQNAOAMKAMRZGR-UFYCRDLUSA-N 1 3 367.578 2.750 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@@H](C)C1 ZINC000584233996 518241401 /nfs/dbraw/zinc/24/14/01/518241401.db2.gz NQNAOAMKAMRZGR-UFYCRDLUSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000578606246 518287966 /nfs/dbraw/zinc/28/79/66/518287966.db2.gz LXGQJHSJGJSJKD-APWZRJJASA-N 1 3 360.502 2.671 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(OC)c1 ZINC000578639937 518306303 /nfs/dbraw/zinc/30/63/03/518306303.db2.gz KHSWAYOULGNSLI-HECAZONMSA-N 1 3 360.498 2.542 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000578639937 518306315 /nfs/dbraw/zinc/30/63/15/518306315.db2.gz KHSWAYOULGNSLI-HECAZONMSA-N 1 3 360.498 2.542 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000578639937 518306319 /nfs/dbraw/zinc/30/63/19/518306319.db2.gz KHSWAYOULGNSLI-HECAZONMSA-N 1 3 360.498 2.542 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000578655753 518313610 /nfs/dbraw/zinc/31/36/10/518313610.db2.gz UTTGWVZRCYIXLX-GOSISDBHSA-N 1 3 367.484 2.944 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000575868023 518319207 /nfs/dbraw/zinc/31/92/07/518319207.db2.gz MFCQZJAVYNBNTI-LSDHHAIUSA-N 1 3 350.532 2.525 20 0 FFADHO CC1(C)CN(C2(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])CCCCC2)CCO1 ZINC000578765353 518363754 /nfs/dbraw/zinc/36/37/54/518363754.db2.gz VEPRUYPOOMNPMG-ZWKOTPCHSA-N 1 3 365.562 2.824 20 0 FFADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000575970626 518366809 /nfs/dbraw/zinc/36/68/09/518366809.db2.gz GQHUGMNGCILXHS-VQIMIIECSA-N 1 3 374.529 2.950 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000584578013 518405874 /nfs/dbraw/zinc/40/58/74/518405874.db2.gz JMVOVQUHNZNZPF-ZWKOTPCHSA-N 1 3 372.513 2.625 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000584585810 518411513 /nfs/dbraw/zinc/41/15/13/518411513.db2.gz YAXFDEJCAHZCIQ-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000584585810 518411518 /nfs/dbraw/zinc/41/15/18/518411518.db2.gz YAXFDEJCAHZCIQ-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000584585810 518411525 /nfs/dbraw/zinc/41/15/25/518411525.db2.gz YAXFDEJCAHZCIQ-YADHBBJMSA-N 1 3 368.521 2.889 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000564644298 518542171 /nfs/dbraw/zinc/54/21/71/518542171.db2.gz ACOPZTGTCNVUOB-OXJNMPFZSA-N 1 3 354.498 2.823 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000564644298 518542179 /nfs/dbraw/zinc/54/21/79/518542179.db2.gz ACOPZTGTCNVUOB-OXJNMPFZSA-N 1 3 354.498 2.823 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000576344834 518547978 /nfs/dbraw/zinc/54/79/78/518547978.db2.gz IJLPQQWIVOHWJV-YCZSINBZSA-N 1 3 369.553 2.915 20 0 FFADHO Fc1ccc([C@@H](NC2CCC([NH+]3CCNCC3)CC2)c2cnccn2)cc1 ZINC000573197831 518549712 /nfs/dbraw/zinc/54/97/12/518549712.db2.gz FXOZOIXOEPTXMI-GZNCHQMQSA-N 1 3 369.488 2.511 20 0 FFADHO Fc1ccc([C@@H](NC2CCC(N3CC[NH2+]CC3)CC2)c2cnccn2)cc1 ZINC000573197831 518549716 /nfs/dbraw/zinc/54/97/16/518549716.db2.gz FXOZOIXOEPTXMI-GZNCHQMQSA-N 1 3 369.488 2.511 20 0 FFADHO C[C@@]1(NC(=O)NC2CC[NH+](C3CCC3)CC2)CCN(Cc2ccccc2)C1 ZINC000570454054 518615610 /nfs/dbraw/zinc/61/56/10/518615610.db2.gz HHMCDOBPGZQCDB-JOCHJYFZSA-N 1 3 370.541 2.967 20 0 FFADHO C[NH+](C)CCc1ccc(CNC[C@@H](O)COc2ccccc2Cl)cc1 ZINC000573358221 518628099 /nfs/dbraw/zinc/62/80/99/518628099.db2.gz GTMMXJRDLBJLBF-GOSISDBHSA-N 1 3 362.901 2.974 20 0 FFADHO C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000573357246 518628738 /nfs/dbraw/zinc/62/87/38/518628738.db2.gz NJGFICYTGHWBAN-MEDUHNTESA-N 1 3 359.451 2.777 20 0 FFADHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000570512748 518644504 /nfs/dbraw/zinc/64/45/04/518644504.db2.gz PETLEGKHEMGFNG-CTNGQTDRSA-N 1 3 364.493 2.529 20 0 FFADHO N[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000582235399 518652562 /nfs/dbraw/zinc/65/25/62/518652562.db2.gz DUQNMWBZXNHPIA-LEWJYISDSA-N 1 3 364.493 2.824 20 0 FFADHO [NH3+][C@H]1C[C@@H](NC2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 ZINC000582235399 518652569 /nfs/dbraw/zinc/65/25/69/518652569.db2.gz DUQNMWBZXNHPIA-LEWJYISDSA-N 1 3 364.493 2.824 20 0 FFADHO CCN1CCN(CCCC[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000564854214 518655356 /nfs/dbraw/zinc/65/53/56/518655356.db2.gz KFEHOZJVRFRUKC-QHCPKHFHSA-N 1 3 369.553 2.751 20 0 FFADHO CC(C)OCc1cccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000570570890 518674335 /nfs/dbraw/zinc/67/43/35/518674335.db2.gz JNKPPGXIYFCQEG-SFTDATJTSA-N 1 3 373.541 2.549 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567731088 518681275 /nfs/dbraw/zinc/68/12/75/518681275.db2.gz BCYDFAAUAURYTQ-UHFFFAOYSA-N 1 3 358.461 2.558 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)cc1 ZINC000567785001 518710363 /nfs/dbraw/zinc/71/03/63/518710363.db2.gz NXDQURMLPLZFTP-CTNGQTDRSA-N 1 3 373.541 2.931 20 0 FFADHO CNC(=O)[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)Cc1ccc(F)cc1C ZINC000564965186 518719629 /nfs/dbraw/zinc/71/96/29/518719629.db2.gz QAGWKMOCKDNEFY-QGZVFWFLSA-N 1 3 363.521 2.891 20 0 FFADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CNC2CC2)CC1 ZINC000570681493 518729267 /nfs/dbraw/zinc/72/92/67/518729267.db2.gz YASZDXVPUIMGLT-UHFFFAOYSA-N 1 3 369.431 2.880 20 0 FFADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CNC2CC2)CC1 ZINC000570681493 518729272 /nfs/dbraw/zinc/72/92/72/518729272.db2.gz YASZDXVPUIMGLT-UHFFFAOYSA-N 1 3 369.431 2.880 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc3c2CCNC3)[C@H](C)C1 ZINC000576728322 518734090 /nfs/dbraw/zinc/73/40/90/518734090.db2.gz UHKGPXYHXTXJGJ-APWZRJJASA-N 1 3 374.529 2.591 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc3c2CCNC3)[C@H](C)C1 ZINC000576728322 518734092 /nfs/dbraw/zinc/73/40/92/518734092.db2.gz UHKGPXYHXTXJGJ-APWZRJJASA-N 1 3 374.529 2.591 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000570725243 518750084 /nfs/dbraw/zinc/75/00/84/518750084.db2.gz QKQBFIYPXAZWHT-IBGZPJMESA-N 1 3 361.530 2.854 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C3CC3)C1)c1ccccc1O2 ZINC000565095483 518783682 /nfs/dbraw/zinc/78/36/82/518783682.db2.gz YWUGORKVUALRDZ-QFBILLFUSA-N 1 3 369.509 2.575 20 0 FFADHO NC[C@@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000582595472 518829774 /nfs/dbraw/zinc/82/97/74/518829774.db2.gz DYWXCTYILWRVQL-PWIZWCRZSA-N 1 3 373.447 2.517 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000573786510 518834756 /nfs/dbraw/zinc/83/47/56/518834756.db2.gz OISZYKUSNZLAFO-XSDIEEQYSA-N 1 3 370.541 2.666 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000573786508 518835170 /nfs/dbraw/zinc/83/51/70/518835170.db2.gz OISZYKUSNZLAFO-JSXRDJHFSA-N 1 3 370.541 2.666 20 0 FFADHO CO[C@@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000576937493 518835391 /nfs/dbraw/zinc/83/53/91/518835391.db2.gz JERSSUIGCXJKGS-IDPBPBMLSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CCN(Cc2cncc(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000576937493 518835398 /nfs/dbraw/zinc/83/53/98/518835398.db2.gz JERSSUIGCXJKGS-IDPBPBMLSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CC[N@@H+](Cc2cncc(CN3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000576937493 518835404 /nfs/dbraw/zinc/83/54/04/518835404.db2.gz JERSSUIGCXJKGS-IDPBPBMLSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CC[N@H+](Cc2cncc(CN3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000576937493 518835409 /nfs/dbraw/zinc/83/54/09/518835409.db2.gz JERSSUIGCXJKGS-IDPBPBMLSA-N 1 3 361.530 2.795 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC[C@@H](O)Cn2cccn2)C1 ZINC000570955510 518858814 /nfs/dbraw/zinc/85/88/14/518858814.db2.gz BWQMSPAUCREOTH-DBXWQHBBSA-N 1 3 356.514 2.512 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000573905276 518892973 /nfs/dbraw/zinc/89/29/73/518892973.db2.gz HBKAGHJKBWFUIV-AZUAARDMSA-N 1 3 360.546 2.868 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000582828377 518941243 /nfs/dbraw/zinc/94/12/43/518941243.db2.gz QVZUUYBQBDCIHF-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000582828377 518941249 /nfs/dbraw/zinc/94/12/49/518941249.db2.gz QVZUUYBQBDCIHF-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO Cc1cc(Br)cn2cc(CCN[C@H]3CCC[C@@H]([NH3+])C3)nc12 ZINC000568249342 518948712 /nfs/dbraw/zinc/94/87/12/518948712.db2.gz NVXWDMZMIXZJTR-KGLIPLIRSA-N 1 3 351.292 2.807 20 0 FFADHO [NH3+]C[C@@H](C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccc(F)cc1 ZINC000571163228 518958240 /nfs/dbraw/zinc/95/82/40/518958240.db2.gz WGKOTFQAVMCJNQ-CEWLAPEOSA-N 1 3 367.468 2.601 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C)nc(C)c3)CC2)CC1 ZINC000571177545 518965513 /nfs/dbraw/zinc/96/55/13/518965513.db2.gz NHFVBNBQCHAHFQ-UHFFFAOYSA-N 1 3 358.530 2.511 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000577219448 518971042 /nfs/dbraw/zinc/97/10/42/518971042.db2.gz FYZJPEBKYSWBKX-FQEVSTJZSA-N 1 3 354.498 2.810 20 0 FFADHO CN1CCC[C@H](CNC(=O)COC2CCC([NH3+])CC2)[C@H]1c1cccs1 ZINC000574154562 519013808 /nfs/dbraw/zinc/01/38/08/519013808.db2.gz JICVAFMJVRIFMM-XTUQQUOLSA-N 1 3 365.543 2.534 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000574174863 519024548 /nfs/dbraw/zinc/02/45/48/519024548.db2.gz RQVJECCUJGQNTM-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)Cc2ccc3ccccc3c2)CCCO1 ZINC000580183828 519048344 /nfs/dbraw/zinc/04/83/44/519048344.db2.gz WSZKXRUFGPTCKZ-PGRDOPGGSA-N 1 3 356.510 2.834 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)Cc2ccc3ccccc3c2)CCCO1 ZINC000580183828 519048350 /nfs/dbraw/zinc/04/83/50/519048350.db2.gz WSZKXRUFGPTCKZ-PGRDOPGGSA-N 1 3 356.510 2.834 20 0 FFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000580185781 519050170 /nfs/dbraw/zinc/05/01/70/519050170.db2.gz WKZRYJBKVUCYNR-MRXNPFEDSA-N 1 3 363.477 2.553 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)CC(C)(C)CC2 ZINC000565647619 519060901 /nfs/dbraw/zinc/06/09/01/519060901.db2.gz ZHPINAPBDMMUHM-UHFFFAOYSA-N 1 3 367.563 2.615 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn([C@H](C)C4CC4)c3)CC2)CC1 ZINC000568528990 519086098 /nfs/dbraw/zinc/08/60/98/519086098.db2.gz FOFMNWFGZWTDSO-MRXNPFEDSA-N 1 3 373.545 2.989 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000580323905 519119475 /nfs/dbraw/zinc/11/94/75/519119475.db2.gz OBHHZOUVYPAYIO-RLFYNMQTSA-N 1 3 350.507 2.502 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000571535912 519146435 /nfs/dbraw/zinc/14/64/35/519146435.db2.gz UZBOYUHOUKZSAI-RTWAWAEBSA-N 1 3 351.494 2.928 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000571535912 519146442 /nfs/dbraw/zinc/14/64/42/519146442.db2.gz UZBOYUHOUKZSAI-RTWAWAEBSA-N 1 3 351.494 2.928 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000574426899 519151368 /nfs/dbraw/zinc/15/13/68/519151368.db2.gz OBRAKGYFDYJMGJ-LAUBAEHRSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000577605507 519163850 /nfs/dbraw/zinc/16/38/50/519163850.db2.gz HOBOAUYNRKYGSH-KRWDZBQOSA-N 1 3 350.551 2.802 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000565855413 519164340 /nfs/dbraw/zinc/16/43/40/519164340.db2.gz JWIKESZAJGHKFM-AYWYSENESA-N 1 3 370.541 2.918 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000565855413 519164346 /nfs/dbraw/zinc/16/43/46/519164346.db2.gz JWIKESZAJGHKFM-AYWYSENESA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000571623052 519185538 /nfs/dbraw/zinc/18/55/38/519185538.db2.gz FAEINYXNEXTJIR-VQIMIIECSA-N 1 3 360.502 2.671 20 0 FFADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000574584765 519228416 /nfs/dbraw/zinc/22/84/16/519228416.db2.gz LBNQGBLPWFFGQZ-FQEVSTJZSA-N 1 3 352.482 2.926 20 0 FFADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(OCCN(C)C)cc3)[C@@H]2C1 ZINC000577776447 519250870 /nfs/dbraw/zinc/25/08/70/519250870.db2.gz VOUPMLPQPVPKEX-VHHKXPHXSA-N 1 3 373.541 2.925 20 0 FFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCc1cnc(C2CC2)nc1 ZINC000568856480 519251189 /nfs/dbraw/zinc/25/11/89/519251189.db2.gz FXIAWXFMJSNNEJ-RXVVDRJESA-N 1 3 350.466 2.742 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[NH2+]1 ZINC000577829113 519275132 /nfs/dbraw/zinc/27/51/32/519275132.db2.gz RAOGSRXIDOUSIC-WMZOPIPTSA-N 1 3 360.502 2.813 20 0 FFADHO CC1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC000583625694 519346106 /nfs/dbraw/zinc/34/61/06/519346106.db2.gz FIXBKVWMJDGJJW-QFIPXVFZSA-N 1 3 355.526 2.891 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000583626688 519348189 /nfs/dbraw/zinc/34/81/89/519348189.db2.gz CBQLEAUHCFVHIL-BBRMVZONSA-N 1 3 358.404 2.685 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)N(C)C)cc1 ZINC000574872649 519377920 /nfs/dbraw/zinc/37/79/20/519377920.db2.gz WARLKKAKJHWIJB-GGAORHGYSA-N 1 3 365.521 2.899 20 0 FFADHO CN(C[C@@H](O)C[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)C1CC1 ZINC000572029965 519406295 /nfs/dbraw/zinc/40/62/95/519406295.db2.gz FFHZWGIPWSBYDO-QFBILLFUSA-N 1 3 351.922 2.522 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000590866960 519411885 /nfs/dbraw/zinc/41/18/85/519411885.db2.gz AWGZSFSPERXXGD-OAQYLSRUSA-N 1 3 372.557 2.930 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000566295571 519418571 /nfs/dbraw/zinc/41/85/71/519418571.db2.gz REYIEKMGGBUCPA-UHFFFAOYSA-N 1 3 366.509 2.865 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C)cc(OC)c3)CC2)CC1 ZINC000572056046 519420635 /nfs/dbraw/zinc/42/06/35/519420635.db2.gz OUXXSKJZPPJVPF-UHFFFAOYSA-N 1 3 373.541 2.816 20 0 FFADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@@H](C)O1 ZINC000575074460 519485852 /nfs/dbraw/zinc/48/58/52/519485852.db2.gz JDKUWWJQDVMYNF-HZPDHXFCSA-N 1 3 358.486 2.991 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000581061460 519504568 /nfs/dbraw/zinc/50/45/68/519504568.db2.gz HCRNKVVAXAFVDI-RHSMWYFYSA-N 1 3 366.456 2.508 20 0 FFADHO C[C@H](OCCCNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000581072221 519509321 /nfs/dbraw/zinc/50/93/21/519509321.db2.gz ZUVPIXKCDHMAND-TYPHKJRUSA-N 1 3 373.541 2.592 20 0 FFADHO C[C@H]1C[N@H+](CCCNCCC(=O)Nc2cccc(Cl)c2)CCCO1 ZINC000583989790 519536750 /nfs/dbraw/zinc/53/67/50/519536750.db2.gz QKUXOLQANRPZRX-HNNXBMFYSA-N 1 3 353.894 2.759 20 0 FFADHO C[C@H]1C[N@@H+](CCCNCCC(=O)Nc2cccc(Cl)c2)CCCO1 ZINC000583989790 519536756 /nfs/dbraw/zinc/53/67/56/519536756.db2.gz QKUXOLQANRPZRX-HNNXBMFYSA-N 1 3 353.894 2.759 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C12CCCC2 ZINC000584020845 519550315 /nfs/dbraw/zinc/55/03/15/519550315.db2.gz VPFAORCWDMYSTO-VAMGGRTRSA-N 1 3 373.541 2.733 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)CC2)CC1 ZINC000569472044 519568404 /nfs/dbraw/zinc/56/84/04/519568404.db2.gz NCJODRJZXFRKGS-XZYOPWHXSA-N 1 3 371.569 2.853 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578425130 519584906 /nfs/dbraw/zinc/58/49/06/519584906.db2.gz LFWHFKVZRKTQRE-LPHOPBHVSA-N 1 3 362.543 2.670 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000581283166 519611010 /nfs/dbraw/zinc/61/10/10/519611010.db2.gz UGEWYLGJJWAWRZ-LJQANCHMSA-N 1 3 359.514 2.821 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2COc3c2cccc3Cl)CC[NH2+]CC1 ZINC000591568338 519953217 /nfs/dbraw/zinc/95/32/17/519953217.db2.gz RSERTHWXEBGRDN-IUODEOHRSA-N 1 3 352.862 2.685 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CCC2 ZINC000594502181 520005814 /nfs/dbraw/zinc/00/58/14/520005814.db2.gz YZJPWSFAUITBEG-UZLBHIALSA-N 1 3 360.498 2.941 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000594502181 520005822 /nfs/dbraw/zinc/00/58/22/520005822.db2.gz YZJPWSFAUITBEG-UZLBHIALSA-N 1 3 360.498 2.941 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000608656479 520067646 /nfs/dbraw/zinc/06/76/46/520067646.db2.gz WAPININUOCGFTA-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000608656479 520067648 /nfs/dbraw/zinc/06/76/48/520067648.db2.gz WAPININUOCGFTA-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000608663878 520071889 /nfs/dbraw/zinc/07/18/89/520071889.db2.gz OOCRLBJRQZIKRY-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973365 520250733 /nfs/dbraw/zinc/25/07/33/520250733.db2.gz ZQTVYUDPTBZIHL-QFBILLFUSA-N 1 3 356.514 2.653 20 0 FFADHO CN(C)[C@@H](CC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000617111525 520332074 /nfs/dbraw/zinc/33/20/74/520332074.db2.gz YCMSXXZYJKNGDJ-NRFANRHFSA-N 1 3 373.541 2.687 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000592493487 520416982 /nfs/dbraw/zinc/41/69/82/520416982.db2.gz SQMKHININMVIDZ-ZWKOTPCHSA-N 1 3 372.513 2.663 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CC1 ZINC000604187936 520477106 /nfs/dbraw/zinc/47/71/06/520477106.db2.gz MISUSBJASOFYAY-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CC1 ZINC000604187936 520477111 /nfs/dbraw/zinc/47/71/11/520477111.db2.gz MISUSBJASOFYAY-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO c1ccc(-n2nnnc2CCN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000613422135 520494799 /nfs/dbraw/zinc/49/47/99/520494799.db2.gz UTULDIVLIVAUIR-UHFFFAOYSA-N 1 3 368.529 2.793 20 0 FFADHO Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504399 520536771 /nfs/dbraw/zinc/53/67/71/520536771.db2.gz UFGXOTXUGXFENQ-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504399 520536776 /nfs/dbraw/zinc/53/67/76/520536776.db2.gz UFGXOTXUGXFENQ-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)cc1F ZINC000617503974 520537875 /nfs/dbraw/zinc/53/78/75/520537875.db2.gz CQRPZIUXWWBHLP-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)cc1F ZINC000617503974 520537878 /nfs/dbraw/zinc/53/78/78/520537878.db2.gz CQRPZIUXWWBHLP-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO COc1ccc2cccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2c1 ZINC000617506268 520541226 /nfs/dbraw/zinc/54/12/26/520541226.db2.gz HXHLCIXOVUUZLJ-KRWDZBQOSA-N 1 3 371.525 2.779 20 0 FFADHO COc1ccc2cccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2c1 ZINC000617506268 520541232 /nfs/dbraw/zinc/54/12/32/520541232.db2.gz HXHLCIXOVUUZLJ-KRWDZBQOSA-N 1 3 371.525 2.779 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000617507485 520545771 /nfs/dbraw/zinc/54/57/71/520545771.db2.gz YOFULKJNNSEGMI-KRWDZBQOSA-N 1 3 363.521 2.927 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000617507485 520545775 /nfs/dbraw/zinc/54/57/75/520545775.db2.gz YOFULKJNNSEGMI-KRWDZBQOSA-N 1 3 363.521 2.927 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000604420554 520558144 /nfs/dbraw/zinc/55/81/44/520558144.db2.gz QLPOMWSFURULIG-QGZVFWFLSA-N 1 3 358.530 2.681 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000595658043 520628718 /nfs/dbraw/zinc/62/87/18/520628718.db2.gz NOAPLTIUOUCTID-IBGZPJMESA-N 1 3 359.518 2.568 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000595658043 520628723 /nfs/dbraw/zinc/62/87/23/520628723.db2.gz NOAPLTIUOUCTID-IBGZPJMESA-N 1 3 359.518 2.568 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCN2CCCC2)CC1 ZINC000604821867 520685112 /nfs/dbraw/zinc/68/51/12/520685112.db2.gz AKDDETODJXKUBP-GOSISDBHSA-N 1 3 358.530 2.949 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000617977323 520817084 /nfs/dbraw/zinc/81/70/84/520817084.db2.gz SGACKEIRBXHLOH-OAQYLSRUSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000617977323 520817093 /nfs/dbraw/zinc/81/70/93/520817093.db2.gz SGACKEIRBXHLOH-OAQYLSRUSA-N 1 3 370.541 2.817 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000606638675 521118688 /nfs/dbraw/zinc/11/86/88/521118688.db2.gz UJCCXQRGYVFXGN-LAUBAEHRSA-N 1 3 372.557 2.853 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661224 521173214 /nfs/dbraw/zinc/17/32/14/521173214.db2.gz ORWIKNZJPYDZLW-SFHVURJKSA-N 1 3 363.546 2.545 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661224 521173229 /nfs/dbraw/zinc/17/32/29/521173229.db2.gz ORWIKNZJPYDZLW-SFHVURJKSA-N 1 3 363.546 2.545 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1 ZINC000615260448 521337088 /nfs/dbraw/zinc/33/70/88/521337088.db2.gz AGUGRZLBCKLXTO-RTWAWAEBSA-N 1 3 373.541 2.854 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1 ZINC000615260448 521337096 /nfs/dbraw/zinc/33/70/96/521337096.db2.gz AGUGRZLBCKLXTO-RTWAWAEBSA-N 1 3 373.541 2.854 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000618989932 521337693 /nfs/dbraw/zinc/33/76/93/521337693.db2.gz AEXFVALGAQFMGN-UYAOXDASSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000594105717 521405602 /nfs/dbraw/zinc/40/56/02/521405602.db2.gz KMHAEXQYOFVOCX-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000594105717 521405609 /nfs/dbraw/zinc/40/56/09/521405609.db2.gz KMHAEXQYOFVOCX-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594132922 521425119 /nfs/dbraw/zinc/42/51/19/521425119.db2.gz HBDLSJSDLZKWMZ-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)n1 ZINC000602666089 521467918 /nfs/dbraw/zinc/46/79/18/521467918.db2.gz JRAWPATXDBQULA-RDJZCZTQSA-N 1 3 356.470 2.621 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)n1 ZINC000602666089 521467928 /nfs/dbraw/zinc/46/79/28/521467928.db2.gz JRAWPATXDBQULA-RDJZCZTQSA-N 1 3 356.470 2.621 20 0 FFADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000607901448 521492863 /nfs/dbraw/zinc/49/28/63/521492863.db2.gz CHAPKANXKSMQEX-AWEZNQCLSA-N 1 3 359.436 2.761 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594316847 521554422 /nfs/dbraw/zinc/55/44/22/521554422.db2.gz BWOPFURAWOKBBO-GUDVDZBRSA-N 1 3 350.551 2.909 20 0 FFADHO CC1CC[NH+](Cc2ccc(CN[C@@H]3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000634950695 521828742 /nfs/dbraw/zinc/82/87/42/521828742.db2.gz APDGXTURWDSGHN-HXUWFJFHSA-N 1 3 364.555 2.975 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000635003310 521862039 /nfs/dbraw/zinc/86/20/39/521862039.db2.gz BUGWBKHHCGRKLC-WMZOPIPTSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)cc1 ZINC000635003310 521862045 /nfs/dbraw/zinc/86/20/45/521862045.db2.gz BUGWBKHHCGRKLC-WMZOPIPTSA-N 1 3 355.482 2.962 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635006452 521863616 /nfs/dbraw/zinc/86/36/16/521863616.db2.gz BXQQMCNGIAICPE-OAHLLOKOSA-N 1 3 373.522 2.945 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635013980 521867982 /nfs/dbraw/zinc/86/79/82/521867982.db2.gz XIIVSLXOVMFECW-ZIAGYGMSSA-N 1 3 361.511 2.707 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000623466509 522046347 /nfs/dbraw/zinc/04/63/47/522046347.db2.gz BJMPWYYZURYQQO-IEBWSBKVSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000623466509 522046354 /nfs/dbraw/zinc/04/63/54/522046354.db2.gz BJMPWYYZURYQQO-IEBWSBKVSA-N 1 3 350.551 2.815 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623476567 522054174 /nfs/dbraw/zinc/05/41/74/522054174.db2.gz FWDPZMJCHRYLCN-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623476567 522054185 /nfs/dbraw/zinc/05/41/85/522054185.db2.gz FWDPZMJCHRYLCN-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO c1ccc2c(c1)CO[C@H](CN[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000629512678 522292594 /nfs/dbraw/zinc/29/25/94/522292594.db2.gz HXTRWAMFBDZQTB-VCOUNFBDSA-N 1 3 350.462 2.973 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)CN1CCCC1 ZINC000629560723 522314552 /nfs/dbraw/zinc/31/45/52/522314552.db2.gz NRPLEKBUSRBQLZ-LJQANCHMSA-N 1 3 365.949 2.598 20 0 FFADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1(C)C ZINC000623932104 522375137 /nfs/dbraw/zinc/37/51/37/522375137.db2.gz ZXFITRLRHKNEGC-IBGZPJMESA-N 1 3 358.530 2.669 20 0 FFADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1(C)C ZINC000623932104 522375149 /nfs/dbraw/zinc/37/51/49/522375149.db2.gz ZXFITRLRHKNEGC-IBGZPJMESA-N 1 3 358.530 2.669 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000632908319 522382372 /nfs/dbraw/zinc/38/23/72/522382372.db2.gz HGCCIVDOHOTGOR-SFHVURJKSA-N 1 3 373.545 2.872 20 0 FFADHO O=C(CCNCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccccn1 ZINC000620755552 522407814 /nfs/dbraw/zinc/40/78/14/522407814.db2.gz CZTLCGLEPLMXOG-UHFFFAOYSA-N 1 3 368.481 2.675 20 0 FFADHO Cc1scc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000632979386 522446892 /nfs/dbraw/zinc/44/68/92/522446892.db2.gz SAEFPPUWNSLYAU-UHFFFAOYSA-N 1 3 364.559 2.723 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccc(OC)c1 ZINC000626926763 522534187 /nfs/dbraw/zinc/53/41/87/522534187.db2.gz OFBJXVHLYBLJOK-MOPGFXCFSA-N 1 3 374.529 2.662 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000624548062 522771013 /nfs/dbraw/zinc/77/10/13/522771013.db2.gz DDBCKYHVYFSKBV-PMACEKPBSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000624548062 522771022 /nfs/dbraw/zinc/77/10/22/522771022.db2.gz DDBCKYHVYFSKBV-PMACEKPBSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000624548064 522771937 /nfs/dbraw/zinc/77/19/37/522771937.db2.gz DDBCKYHVYFSKBV-VQTJNVASSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000624548064 522771943 /nfs/dbraw/zinc/77/19/43/522771943.db2.gz DDBCKYHVYFSKBV-VQTJNVASSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625187734 523240616 /nfs/dbraw/zinc/24/06/16/523240616.db2.gz CADUTAZHQHNZGN-QHAWAJNXSA-N 1 3 355.526 2.697 20 0 FFADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625187734 523240623 /nfs/dbraw/zinc/24/06/23/523240623.db2.gz CADUTAZHQHNZGN-QHAWAJNXSA-N 1 3 355.526 2.697 20 0 FFADHO O[C@@]1(C[NH2+]C[C@H](c2ccco2)N2CCCC2)CCN(Cc2ccccc2)C1 ZINC000634637221 523539808 /nfs/dbraw/zinc/53/98/08/523539808.db2.gz QPQUPMQONWCUHK-IFMALSPDSA-N 1 3 369.509 2.643 20 0 FFADHO CCCN(C(=O)NCC[NH2+]C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000637330230 523560482 /nfs/dbraw/zinc/56/04/82/523560482.db2.gz SWDWDFOVNMXXJY-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000631664511 523742088 /nfs/dbraw/zinc/74/20/88/523742088.db2.gz OIJJKZVKLMIBQE-SYYKKAFVSA-N 1 3 357.542 2.597 20 0 FFADHO c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc(-c2nnn[n-]2)c1 ZINC000826515646 607750316 /nfs/dbraw/zinc/75/03/16/607750316.db2.gz GDQIZOPCWHUWQJ-UHFFFAOYSA-N 1 3 354.502 2.955 20 0 FFADHO c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc(-c2nn[n-]n2)c1 ZINC000826515646 607750317 /nfs/dbraw/zinc/75/03/17/607750317.db2.gz GDQIZOPCWHUWQJ-UHFFFAOYSA-N 1 3 354.502 2.955 20 0 FFADHO Cc1nc(N(C)C)cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952705 722013289 /nfs/dbraw/zinc/01/32/89/722013289.db2.gz ADXUSBVDZNEUCT-UHFFFAOYSA-N 1 3 366.513 2.739 20 0 FFADHO Cc1nc(N(C)C)cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952705 722013292 /nfs/dbraw/zinc/01/32/92/722013292.db2.gz ADXUSBVDZNEUCT-UHFFFAOYSA-N 1 3 366.513 2.739 20 0 FFADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169225072 728980648 /nfs/dbraw/zinc/98/06/48/728980648.db2.gz JKWGGQPUISEQCE-RDTXWAMCSA-N 1 3 367.921 2.673 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000246122048 729580928 /nfs/dbraw/zinc/58/09/28/729580928.db2.gz QQDMDNAOKHLGHQ-GOSISDBHSA-N 1 3 374.356 2.985 20 0 FFADHO CN1CCC[C@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)[C@@H]1c1cccs1 ZINC000638671428 730038564 /nfs/dbraw/zinc/03/85/64/730038564.db2.gz PTFZEOGKOFEJJR-VQIMIIECSA-N 1 3 365.587 2.956 20 0 FFADHO C[C@@H]([NH3+])CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000641439426 730227023 /nfs/dbraw/zinc/22/70/23/730227023.db2.gz GSOUUOPXYKOOBO-CYBMUJFWSA-N 1 3 373.328 2.948 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Br)n1 ZINC000925023031 738471442 /nfs/dbraw/zinc/47/14/42/738471442.db2.gz JLNSFDVTMRHCGU-KBPBESRZSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(Br)n1 ZINC000925023031 738471445 /nfs/dbraw/zinc/47/14/45/738471445.db2.gz JLNSFDVTMRHCGU-KBPBESRZSA-N 1 3 356.308 2.732 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000646253931 730646186 /nfs/dbraw/zinc/64/61/86/730646186.db2.gz AALQMZVHMLTUCL-OAHLLOKOSA-N 1 3 357.420 2.595 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2c(ccnc2Cl)o1 ZINC000866259728 731044439 /nfs/dbraw/zinc/04/44/39/731044439.db2.gz FTRWQOPLFRKCSO-STQMWFEESA-N 1 3 364.877 2.719 20 0 FFADHO O=S(=O)(CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925484802 738510128 /nfs/dbraw/zinc/51/01/28/738510128.db2.gz ILUYFYRHNWYVFH-UXHICEINSA-N 1 3 364.555 2.749 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652277114 731180156 /nfs/dbraw/zinc/18/01/56/731180156.db2.gz VDCNQLPLYHIYRY-UHFFFAOYSA-N 1 3 364.490 2.619 20 0 FFADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925570681 738514723 /nfs/dbraw/zinc/51/47/23/738514723.db2.gz XHJNKRHNFFZMLJ-MSOLQXFVSA-N 1 3 367.559 2.510 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000653594288 731276780 /nfs/dbraw/zinc/27/67/80/731276780.db2.gz JJDAJXQYYIMFIW-UZLBHIALSA-N 1 3 351.485 2.855 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000653594288 731276782 /nfs/dbraw/zinc/27/67/82/731276782.db2.gz JJDAJXQYYIMFIW-UZLBHIALSA-N 1 3 351.485 2.855 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000654500461 731368005 /nfs/dbraw/zinc/36/80/05/731368005.db2.gz OQWVKLKFTFLLMF-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000654500461 731368007 /nfs/dbraw/zinc/36/80/07/731368007.db2.gz OQWVKLKFTFLLMF-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C(F)F)CCCC3)CC2)CC1 ZINC000655082978 731426926 /nfs/dbraw/zinc/42/69/26/731426926.db2.gz DJMGBKZOWJVQKU-UHFFFAOYSA-N 1 3 357.489 2.877 20 0 FFADHO C[C@H](C[C@@H](O)c1cccs1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215199 731740728 /nfs/dbraw/zinc/74/07/28/731740728.db2.gz SXUCMAJPSMMPDH-POAQFYNOSA-N 1 3 360.523 2.787 20 0 FFADHO C[C@H](C[C@@H](O)c1cccs1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215199 731740730 /nfs/dbraw/zinc/74/07/30/731740730.db2.gz SXUCMAJPSMMPDH-POAQFYNOSA-N 1 3 360.523 2.787 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925834298 738534501 /nfs/dbraw/zinc/53/45/01/738534501.db2.gz MQASEHWBWVTJIQ-KURKYZTESA-N 1 3 350.528 2.533 20 0 FFADHO CC1(C)[C@H](NCC2(n3cc(Br)cn3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925838818 738534886 /nfs/dbraw/zinc/53/48/86/738534886.db2.gz OINXKKIVLYYIAM-HZSPNIEDSA-N 1 3 353.308 2.501 20 0 FFADHO CC1(C)[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925838818 738534889 /nfs/dbraw/zinc/53/48/89/738534889.db2.gz OINXKKIVLYYIAM-HZSPNIEDSA-N 1 3 353.308 2.501 20 0 FFADHO C[C@H](NCCCCCN1CC[NH2+]CC1)c1nc(Br)cs1 ZINC000925840537 738535244 /nfs/dbraw/zinc/53/52/44/738535244.db2.gz IJBKTIZIHYMOQR-LBPRGKRZSA-N 1 3 361.353 2.632 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657919417 731830135 /nfs/dbraw/zinc/83/01/35/731830135.db2.gz RWIGEKDQOQJIAO-IBGZPJMESA-N 1 3 361.555 2.888 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)c2cccs2)CC1 ZINC000659427395 731975057 /nfs/dbraw/zinc/97/50/57/731975057.db2.gz MVTGYXOWLHSTPK-WUJZJPHMSA-N 1 3 362.543 2.654 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659490076 731981830 /nfs/dbraw/zinc/98/18/30/731981830.db2.gz OANINZVONLGPBH-MSOLQXFVSA-N 1 3 350.551 2.528 20 0 FFADHO CO[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)C1CCCCC1 ZINC000660276163 732092509 /nfs/dbraw/zinc/09/25/09/732092509.db2.gz NZQZLLSLTUJRHA-HXUWFJFHSA-N 1 3 351.579 2.931 20 0 FFADHO Brc1cccc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662250892 732288497 /nfs/dbraw/zinc/28/84/97/732288497.db2.gz QYHAZDNOMAMFOT-INIZCTEOSA-N 1 3 351.288 2.935 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000662399385 732311108 /nfs/dbraw/zinc/31/11/08/732311108.db2.gz RYSWKJUVHLEZEV-CABCVRRESA-N 1 3 360.376 2.719 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663595562 732465016 /nfs/dbraw/zinc/46/50/16/732465016.db2.gz FXLJLZYPODXXID-GOSISDBHSA-N 1 3 366.893 2.687 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878426627 732530463 /nfs/dbraw/zinc/53/04/63/732530463.db2.gz BILKZKDTWBCOOT-GOSISDBHSA-N 1 3 351.579 2.930 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000664314367 732566758 /nfs/dbraw/zinc/56/67/58/732566758.db2.gz IKHNSMVMVHEYEH-ZDUSSCGKSA-N 1 3 355.552 2.834 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000664314367 732566760 /nfs/dbraw/zinc/56/67/60/732566760.db2.gz IKHNSMVMVHEYEH-ZDUSSCGKSA-N 1 3 355.552 2.834 20 0 FFADHO CCN(C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCN(C)C1 ZINC000664514255 732593140 /nfs/dbraw/zinc/59/31/40/732593140.db2.gz PBSQHPBAVDJFIG-CTWPCTMYSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Cl ZINC000664656394 732614356 /nfs/dbraw/zinc/61/43/56/732614356.db2.gz GCQQHXBXFACPRS-HNNXBMFYSA-N 1 3 354.926 2.720 20 0 FFADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Cl ZINC000664656394 732614358 /nfs/dbraw/zinc/61/43/58/732614358.db2.gz GCQQHXBXFACPRS-HNNXBMFYSA-N 1 3 354.926 2.720 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2sccc2[C@H]1C ZINC000665637912 732735038 /nfs/dbraw/zinc/73/50/38/732735038.db2.gz SPZPIPGZGPLYJI-LSDHHAIUSA-N 1 3 352.548 2.649 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2sccc2[C@H]1C ZINC000665637912 732735040 /nfs/dbraw/zinc/73/50/40/732735040.db2.gz SPZPIPGZGPLYJI-LSDHHAIUSA-N 1 3 352.548 2.649 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)c(F)c(F)c1F ZINC000880675276 732944214 /nfs/dbraw/zinc/94/42/14/732944214.db2.gz NTLCULLWGQTKHH-JTQLQIEISA-N 1 3 364.387 2.637 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)c(F)c(F)c1F ZINC000880675276 732944217 /nfs/dbraw/zinc/94/42/17/732944217.db2.gz NTLCULLWGQTKHH-JTQLQIEISA-N 1 3 364.387 2.637 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000672943112 733572492 /nfs/dbraw/zinc/57/24/92/733572492.db2.gz UWBJQTBJQPBETB-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO CCc1ccc([C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000727066186 734462687 /nfs/dbraw/zinc/46/26/87/734462687.db2.gz IGCHHRLGFIQYGK-GOSISDBHSA-N 1 3 364.603 2.904 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000727080357 734464229 /nfs/dbraw/zinc/46/42/29/734464229.db2.gz OTTIDJLWKGUJBR-SJLPKXTDSA-N 1 3 362.587 2.874 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727085148 734465057 /nfs/dbraw/zinc/46/50/57/734465057.db2.gz OJYFATPUDVJMQN-UHFFFAOYSA-N 1 3 356.624 2.893 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCSC(C)(C)C3)CC2)CC1 ZINC000892522139 734568904 /nfs/dbraw/zinc/56/89/04/734568904.db2.gz QUMKXMICUWENGE-INIZCTEOSA-N 1 3 368.591 2.518 20 0 FFADHO CCOc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc(Cl)c1[O-] ZINC000894378760 734848470 /nfs/dbraw/zinc/84/84/70/734848470.db2.gz VIEOMXNJTJNLEF-UHFFFAOYSA-N 1 3 355.910 2.562 20 0 FFADHO CCOc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc(Cl)c1[O-] ZINC000894378760 734848472 /nfs/dbraw/zinc/84/84/72/734848472.db2.gz VIEOMXNJTJNLEF-UHFFFAOYSA-N 1 3 355.910 2.562 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000743015778 735270030 /nfs/dbraw/zinc/27/00/30/735270030.db2.gz CKAVVCYHLQSFEQ-KRWDZBQOSA-N 1 3 360.571 2.599 20 0 FFADHO C[C@H]1CCC[N@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000743015778 735270036 /nfs/dbraw/zinc/27/00/36/735270036.db2.gz CKAVVCYHLQSFEQ-KRWDZBQOSA-N 1 3 360.571 2.599 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)[C@H]2CCC[C@@H]21 ZINC000903426545 736092526 /nfs/dbraw/zinc/09/25/26/736092526.db2.gz YMDZLIGJVVJUQE-QYZOEREBSA-N 1 3 363.527 2.553 20 0 FFADHO Brc1ccc2c(c1)[C@@H](NC[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CCO2 ZINC000903786985 736166887 /nfs/dbraw/zinc/16/68/87/736166887.db2.gz SNMMTZKTAKQWMW-JLJPHGGASA-N 1 3 367.287 2.631 20 0 FFADHO COc1cc(C[NH2+]C[C@H]2CNCCC2(F)F)ccc1OCC(F)(F)F ZINC000903957074 736195124 /nfs/dbraw/zinc/19/51/24/736195124.db2.gz PKKYVSPLICNAIW-GFCCVEGCSA-N 1 3 368.346 2.971 20 0 FFADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000905248131 736317548 /nfs/dbraw/zinc/31/75/48/736317548.db2.gz RYVAZESATLOPSG-MRXNPFEDSA-N 1 3 360.329 2.642 20 0 FFADHO CCN(CC)[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)c1ccsc1 ZINC000760473709 736641852 /nfs/dbraw/zinc/64/18/52/736641852.db2.gz FLSIQCBZXWYRFJ-KRWDZBQOSA-N 1 3 368.616 2.937 20 0 FFADHO CCCCOC[C@@H](O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923340433 738273745 /nfs/dbraw/zinc/27/37/45/738273745.db2.gz DNTLQCWCNRSWRA-ZWKOTPCHSA-N 1 3 352.544 2.870 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@H](O)c1ccccc1C(F)(F)F)CC2 ZINC000923440549 738284274 /nfs/dbraw/zinc/28/42/74/738284274.db2.gz ITNOSJNGRPYABE-CJNGLKHVSA-N 1 3 358.404 2.569 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)[C@H](C)C1 ZINC000787309128 739125478 /nfs/dbraw/zinc/12/54/78/739125478.db2.gz QZPUTDHYUZMVKB-MDASCCDHSA-N 1 3 356.457 2.725 20 0 FFADHO CC[NH+]1CCC(N2CCCN(C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)CC1 ZINC000930749617 739157190 /nfs/dbraw/zinc/15/71/90/739157190.db2.gz BIFILFLLQGRATQ-DLBZAZTESA-N 1 3 363.468 2.588 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC000931431872 739263805 /nfs/dbraw/zinc/26/38/05/739263805.db2.gz FCKACCJVEHZBBM-IPYPFGDCSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC000931431872 739263810 /nfs/dbraw/zinc/26/38/10/739263810.db2.gz FCKACCJVEHZBBM-IPYPFGDCSA-N 1 3 359.297 2.617 20 0 FFADHO CN(C)C[C@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000802721140 740720413 /nfs/dbraw/zinc/72/04/13/740720413.db2.gz QFKXFFPFEMGHOU-KRWDZBQOSA-N 1 3 368.978 2.749 20 0 FFADHO C[N@H+](C[C@H](O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1)C1CC1 ZINC000809953416 741365863 /nfs/dbraw/zinc/36/58/63/741365863.db2.gz NPJUDCHTWPAAEO-FGTMMUONSA-N 1 3 352.544 2.871 20 0 FFADHO C[N@@H+](C[C@H](O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1)C1CC1 ZINC000809953416 741365864 /nfs/dbraw/zinc/36/58/64/741365864.db2.gz NPJUDCHTWPAAEO-FGTMMUONSA-N 1 3 352.544 2.871 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000810208780 741398040 /nfs/dbraw/zinc/39/80/40/741398040.db2.gz GAWSSSYHQUOSQB-KGLIPLIRSA-N 1 3 355.324 2.521 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cccc(Cl)n3)C2)CC[N@@H+]1C ZINC000998794202 742045766 /nfs/dbraw/zinc/04/57/66/742045766.db2.gz NFTDYYTYXHZBBV-SJJHQCBESA-N 1 3 364.921 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cccc(Cl)n3)C2)CC[N@H+]1C ZINC000998794202 742045770 /nfs/dbraw/zinc/04/57/70/742045770.db2.gz NFTDYYTYXHZBBV-SJJHQCBESA-N 1 3 364.921 2.544 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817929176 742222932 /nfs/dbraw/zinc/22/29/32/742222932.db2.gz FKAMMBYPTHEFIH-DIFFPNOSSA-N 1 3 364.287 2.995 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)c1ccccc1Br ZINC000817934396 742223283 /nfs/dbraw/zinc/22/32/83/742223283.db2.gz GJNQBXLIRXDMKA-GTNSWQLSSA-N 1 3 364.287 2.995 20 0 FFADHO CC[C@H]([NH2+]C[C@]1(COC)CCCN1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817975454 742225865 /nfs/dbraw/zinc/22/58/65/742225865.db2.gz VAHSGXZNINMJNU-FCEWJHQRSA-N 1 3 355.523 2.523 20 0 FFADHO CC[C@@H]([NH2+]C[C@]1(COC)CCCN1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817975457 742226077 /nfs/dbraw/zinc/22/60/77/742226077.db2.gz VAHSGXZNINMJNU-MDZRGWNJSA-N 1 3 355.523 2.523 20 0 FFADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(F)c1 ZINC000819060359 742332135 /nfs/dbraw/zinc/33/21/35/742332135.db2.gz HFVMSPBXZLFGCK-QAPCUYQASA-N 1 3 356.869 2.746 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)c2ccc(Br)cc2)CCCO1 ZINC000819265221 742364182 /nfs/dbraw/zinc/36/41/82/742364182.db2.gz MZRHMPCUPNJXSC-RHSMWYFYSA-N 1 3 371.319 2.573 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)c2ccc(Br)cc2)CCCO1 ZINC000819265221 742364187 /nfs/dbraw/zinc/36/41/87/742364187.db2.gz MZRHMPCUPNJXSC-RHSMWYFYSA-N 1 3 371.319 2.573 20 0 FFADHO CC(C)N(Cc1cccs1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820067977 742460324 /nfs/dbraw/zinc/46/03/24/742460324.db2.gz GEIGDNNNCOJQKY-INIZCTEOSA-N 1 3 354.564 2.940 20 0 FFADHO CC(C)N(Cc1cccs1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820067977 742460327 /nfs/dbraw/zinc/46/03/27/742460327.db2.gz GEIGDNNNCOJQKY-INIZCTEOSA-N 1 3 354.564 2.940 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC001018870938 742515944 /nfs/dbraw/zinc/51/59/44/742515944.db2.gz SUYIABHLAXNBRW-RLFYNMQTSA-N 1 3 367.896 2.900 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC001018870938 742515947 /nfs/dbraw/zinc/51/59/47/742515947.db2.gz SUYIABHLAXNBRW-RLFYNMQTSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC001020170893 742535838 /nfs/dbraw/zinc/53/58/38/742535838.db2.gz CDWAQQKQCSSDGI-NMFUWQPSSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC001020170893 742535843 /nfs/dbraw/zinc/53/58/43/742535843.db2.gz CDWAQQKQCSSDGI-NMFUWQPSSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC001020171250 742536348 /nfs/dbraw/zinc/53/63/48/742536348.db2.gz UFELDZGOJBIALK-RAEVTNRLSA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC001020171250 742536352 /nfs/dbraw/zinc/53/63/52/742536352.db2.gz UFELDZGOJBIALK-RAEVTNRLSA-N 1 3 353.869 2.556 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000825965641 743349621 /nfs/dbraw/zinc/34/96/21/743349621.db2.gz ZTKIPJILBKIUEM-GOEBONIOSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000825965641 743349629 /nfs/dbraw/zinc/34/96/29/743349629.db2.gz ZTKIPJILBKIUEM-GOEBONIOSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCc2ccccc2C[NH+](C)C)cc(Cl)n1 ZINC000825985453 743352530 /nfs/dbraw/zinc/35/25/30/743352530.db2.gz LZKLOEHFTZFEGS-QGZVFWFLSA-N 1 3 360.889 2.811 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(Cl)n1 ZINC000830895879 745446984 /nfs/dbraw/zinc/44/69/84/745446984.db2.gz FGDFGHXGTIOPOX-IXDOHACOSA-N 1 3 364.921 2.907 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc(Cl)n1 ZINC000830895879 745446985 /nfs/dbraw/zinc/44/69/85/745446985.db2.gz FGDFGHXGTIOPOX-IXDOHACOSA-N 1 3 364.921 2.907 20 0 FFADHO CN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C1CCC([NH3+])CC1 ZINC000843353661 747816430 /nfs/dbraw/zinc/81/64/30/747816430.db2.gz HVHRUVOWLOWLOY-UHFFFAOYSA-N 1 3 367.877 2.642 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363791 747818336 /nfs/dbraw/zinc/81/83/36/747818336.db2.gz QKPRUOCQXJHCCD-CQSZACIVSA-N 1 3 351.441 2.560 20 0 FFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCc1ccc(C[NH3+])cc1F ZINC000844922679 748137320 /nfs/dbraw/zinc/13/73/20/748137320.db2.gz CGHUQMZFIUHJDT-LLVKDONJSA-N 1 3 350.825 2.840 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)ccc1OC ZINC000846193766 748427463 /nfs/dbraw/zinc/42/74/63/748427463.db2.gz OJCHFWNPYWYYCH-JXFKEZNVSA-N 1 3 350.503 2.729 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000849064195 749044241 /nfs/dbraw/zinc/04/42/41/749044241.db2.gz DZINASLGOZUSQJ-MAUKXSAKSA-N 1 3 363.937 2.765 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc(Cl)n1 ZINC000851645845 749641303 /nfs/dbraw/zinc/64/13/03/749641303.db2.gz PTBMSRHKFDJTEP-UHOFOFEASA-N 1 3 352.910 2.799 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000384978545 845826270 /nfs/dbraw/zinc/82/62/70/845826270.db2.gz PGOXYVWMXYHNEQ-IRXDYDNUSA-N 1 3 357.539 2.721 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895694473 970845977 /nfs/dbraw/zinc/84/59/77/970845977.db2.gz VBVNFLVBOIFBQX-GTAWCEEGSA-N 1 3 362.489 2.978 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001104939063 971189364 /nfs/dbraw/zinc/18/93/64/971189364.db2.gz HQMCGJCVXSAXKV-IAGOWNOFSA-N 1 3 351.560 2.707 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C(C)C)C[C@@H]3C2)c1 ZINC001087964593 971355673 /nfs/dbraw/zinc/35/56/73/971355673.db2.gz RTGNPLOUCHHIGI-HKBOAZHASA-N 1 3 370.541 2.543 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C(C)C)C[C@@H]3C2)c1 ZINC001087964593 971355681 /nfs/dbraw/zinc/35/56/81/971355681.db2.gz RTGNPLOUCHHIGI-HKBOAZHASA-N 1 3 370.541 2.543 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC001105064591 971437714 /nfs/dbraw/zinc/43/77/14/971437714.db2.gz YLUXUDKVXPXTFP-NVXWUHKLSA-N 1 3 367.484 2.879 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001105066880 971446644 /nfs/dbraw/zinc/44/66/44/971446644.db2.gz DYEVMXQBZSBTLA-BZUAXINKSA-N 1 3 363.468 2.887 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000896789950 971709703 /nfs/dbraw/zinc/70/97/03/971709703.db2.gz LECRSYVFSMTSSX-WIYYLYMNSA-N 1 3 373.541 2.925 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000896789950 971709706 /nfs/dbraw/zinc/70/97/06/971709706.db2.gz LECRSYVFSMTSSX-WIYYLYMNSA-N 1 3 373.541 2.925 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c(C)c1 ZINC001087993377 971739172 /nfs/dbraw/zinc/73/91/72/971739172.db2.gz MLOPBQBQIYVZBN-BHIFYINESA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c(C)c1 ZINC001087993377 971739176 /nfs/dbraw/zinc/73/91/76/971739176.db2.gz MLOPBQBQIYVZBN-BHIFYINESA-N 1 3 369.553 2.924 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](C/C=C/c4ccccc4)CC[C@@H]3C2)CCC1 ZINC001087992411 971734997 /nfs/dbraw/zinc/73/49/97/971734997.db2.gz UOKJOZPDDAABPM-JXNRKETESA-N 1 3 367.537 2.964 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](C/C=C/c4ccccc4)CC[C@@H]3C2)CCC1 ZINC001087992411 971735002 /nfs/dbraw/zinc/73/50/02/971735002.db2.gz UOKJOZPDDAABPM-JXNRKETESA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(-c2nncnn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000652034811 971769181 /nfs/dbraw/zinc/76/91/81/971769181.db2.gz DKFBAITXLVKUOS-UWJYYQICSA-N 1 3 374.492 2.934 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC(F)CC1 ZINC000660575824 972259601 /nfs/dbraw/zinc/25/96/01/972259601.db2.gz WSSQYUBPRRLHDG-KLAILNCOSA-N 1 3 368.541 2.761 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3c(C)noc3C)CC2)CC1 ZINC000654790438 958947578 /nfs/dbraw/zinc/94/75/78/958947578.db2.gz VHSWJEXOMSVQHU-CQSZACIVSA-N 1 3 362.518 2.665 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000655271764 959685940 /nfs/dbraw/zinc/68/59/40/959685940.db2.gz HKAJYVSUVHIWIA-UHFFFAOYSA-N 1 3 358.530 2.939 20 0 FFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCCO1 ZINC000655349331 959788795 /nfs/dbraw/zinc/78/87/95/959788795.db2.gz PQKCZQYPZANHEY-PMACEKPBSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802893 961361989 /nfs/dbraw/zinc/36/19/89/961361989.db2.gz QGFRFDAIRZANJS-SXFAUFNYSA-N 1 3 359.558 2.984 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000960007830 1013301547 /nfs/dbraw/zinc/30/15/47/1013301547.db2.gz JEAKKELVNRVIHU-HYVNUMGLSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000960007830 1013301558 /nfs/dbraw/zinc/30/15/58/1013301558.db2.gz JEAKKELVNRVIHU-HYVNUMGLSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000656197553 962662576 /nfs/dbraw/zinc/66/25/76/962662576.db2.gz DZDYTBGEWRKHOH-LBFURVHYSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000656197553 962662578 /nfs/dbraw/zinc/66/25/78/962662578.db2.gz DZDYTBGEWRKHOH-LBFURVHYSA-N 1 3 370.541 2.918 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C ZINC001087135042 963084267 /nfs/dbraw/zinc/08/42/67/963084267.db2.gz PCVWIZOWKAATOR-UIAACRFSSA-N 1 3 361.505 2.945 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001104322453 963287735 /nfs/dbraw/zinc/28/77/35/963287735.db2.gz KVXVDEACXMWGRW-KFWWJZLASA-N 1 3 351.457 2.599 20 0 FFADHO C[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]21)N1CCCCCC1 ZINC001083215317 963569559 /nfs/dbraw/zinc/56/95/59/963569559.db2.gz RXDUTONKQJYPRF-CEXWTWQISA-N 1 3 365.562 2.599 20 0 FFADHO C[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]21)N1CCCCCC1 ZINC001083215317 963569566 /nfs/dbraw/zinc/56/95/66/963569566.db2.gz RXDUTONKQJYPRF-CEXWTWQISA-N 1 3 365.562 2.599 20 0 FFADHO Cc1c([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cnn1C(C)C ZINC000873244324 1013444181 /nfs/dbraw/zinc/44/41/81/1013444181.db2.gz RDIOLSMSFKBLQZ-CQSZACIVSA-N 1 3 353.474 2.663 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000891411697 963898756 /nfs/dbraw/zinc/89/87/56/963898756.db2.gz OZVMRUVELSJBIY-LERVOYGESA-N 1 3 356.514 2.652 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000664319407 964112858 /nfs/dbraw/zinc/11/28/58/964112858.db2.gz WGWKEQNISNPYAK-LJQANCHMSA-N 1 3 373.545 2.695 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000664319407 964112867 /nfs/dbraw/zinc/11/28/67/964112867.db2.gz WGWKEQNISNPYAK-LJQANCHMSA-N 1 3 373.545 2.695 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(C(C)C)n3)C2)CC[N@@H+]1C ZINC001022106991 964300320 /nfs/dbraw/zinc/30/03/20/964300320.db2.gz ONACIDCKPWREQB-HLNWXESRSA-N 1 3 358.530 2.672 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(C(C)C)n3)C2)CC[N@H+]1C ZINC001022106991 964300328 /nfs/dbraw/zinc/30/03/28/964300328.db2.gz ONACIDCKPWREQB-HLNWXESRSA-N 1 3 358.530 2.672 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCc2cc(N)ccn2)[NH+]2CCCC2)cc1 ZINC000891458702 964344613 /nfs/dbraw/zinc/34/46/13/964344613.db2.gz BRQUMUAGSRLYOG-IBGZPJMESA-N 1 3 353.470 2.609 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2CCOCC2CCC2)CC[N@@H+]1C ZINC001266842198 964543529 /nfs/dbraw/zinc/54/35/29/964543529.db2.gz IZKHFECZAKEVEC-SLFFLAALSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2CCOCC2CCC2)CC[N@H+]1C ZINC001266842198 964543540 /nfs/dbraw/zinc/54/35/40/964543540.db2.gz IZKHFECZAKEVEC-SLFFLAALSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891704310 964903172 /nfs/dbraw/zinc/90/31/72/964903172.db2.gz UWFIRAVQUXXYMP-INIZCTEOSA-N 1 3 359.518 2.568 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](CNCc2cccnc2)C1 ZINC001087177269 965200130 /nfs/dbraw/zinc/20/01/30/965200130.db2.gz PZEMNZDESMSSBF-HOJAQTOUSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](CNCc2cccnc2)C1 ZINC001087177269 965200143 /nfs/dbraw/zinc/20/01/43/965200143.db2.gz PZEMNZDESMSSBF-HOJAQTOUSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@H]1CN(CCC2CN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001175775747 1013556112 /nfs/dbraw/zinc/55/61/12/1013556112.db2.gz UNHWMKALWQXGMJ-INIZCTEOSA-N 1 3 360.502 2.849 20 0 FFADHO CS(=O)(=O)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167974258 965462584 /nfs/dbraw/zinc/46/25/84/965462584.db2.gz SQMXOOPASJNYRP-YQQQUEKLSA-N 1 3 362.539 2.628 20 0 FFADHO CS(=O)(=O)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974258 965462591 /nfs/dbraw/zinc/46/25/91/965462591.db2.gz SQMXOOPASJNYRP-YQQQUEKLSA-N 1 3 362.539 2.628 20 0 FFADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C)o1 ZINC001104389329 965538786 /nfs/dbraw/zinc/53/87/86/965538786.db2.gz VJJGNGBMCSDVDJ-RHSMWYFYSA-N 1 3 367.453 2.519 20 0 FFADHO CCCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001087474586 965540344 /nfs/dbraw/zinc/54/03/44/965540344.db2.gz NWIOGTAFQYRLAO-DBOLQNLKSA-N 1 3 373.541 2.720 20 0 FFADHO CCCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087474586 965540355 /nfs/dbraw/zinc/54/03/55/965540355.db2.gz NWIOGTAFQYRLAO-DBOLQNLKSA-N 1 3 373.541 2.720 20 0 FFADHO O=C(N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)C(F)(F)F ZINC001167981821 965628684 /nfs/dbraw/zinc/62/86/84/965628684.db2.gz LPODHLCWEARGLL-MQVJKMGUSA-N 1 3 359.436 2.535 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(F)cc3F)CCCC2)CC[N@@H+]1C ZINC001270742977 965858419 /nfs/dbraw/zinc/85/84/19/965858419.db2.gz FEMVHSRXQKJWSK-RHSMWYFYSA-N 1 3 365.468 2.824 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(F)cc3F)CCCC2)CC[N@H+]1C ZINC001270742977 965858434 /nfs/dbraw/zinc/85/84/34/965858434.db2.gz FEMVHSRXQKJWSK-RHSMWYFYSA-N 1 3 365.468 2.824 20 0 FFADHO c1cncc(CN2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)c1 ZINC001167986588 965910589 /nfs/dbraw/zinc/91/05/89/965910589.db2.gz GVHGLMPBTVRFBA-UVLSKBLNSA-N 1 3 366.553 2.851 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000892086004 965952578 /nfs/dbraw/zinc/95/25/78/965952578.db2.gz FRGOKQXOGLRGSG-NRFANRHFSA-N 1 3 364.493 2.672 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cnc4ccc(Cl)cn34)cc2)C1 ZINC000657595300 966940258 /nfs/dbraw/zinc/94/02/58/966940258.db2.gz OMAYPGCKLBMVSX-IBGZPJMESA-N 1 3 370.884 2.844 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cnc4ccc(Cl)cn34)cc2)C1 ZINC000657595300 966940263 /nfs/dbraw/zinc/94/02/63/966940263.db2.gz OMAYPGCKLBMVSX-IBGZPJMESA-N 1 3 370.884 2.844 20 0 FFADHO Cc1nn2c(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c(C)nc2s1 ZINC000657613939 966963250 /nfs/dbraw/zinc/96/32/50/966963250.db2.gz XUUXTBGBEUZIFB-UHFFFAOYSA-N 1 3 370.526 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001023372001 967753734 /nfs/dbraw/zinc/75/37/34/967753734.db2.gz KUJBKYPUTVDGDJ-YSIASYRMSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001023372001 967753745 /nfs/dbraw/zinc/75/37/45/967753745.db2.gz KUJBKYPUTVDGDJ-YSIASYRMSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000665277198 967968006 /nfs/dbraw/zinc/96/80/06/967968006.db2.gz WNCMCWIUUKVOKR-GIVPXCGWSA-N 1 3 357.542 2.645 20 0 FFADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000128154300 968090209 /nfs/dbraw/zinc/09/02/09/968090209.db2.gz AXFKVMSLGPQGHN-HKUYNNGSSA-N 1 3 359.514 2.694 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc(OC)c(C)c1 ZINC001087578108 968230930 /nfs/dbraw/zinc/23/09/30/968230930.db2.gz BBEXOEBTQKLSGK-RSPOEFSDSA-N 1 3 373.541 2.813 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc(OC)c(C)c1 ZINC001087578108 968230931 /nfs/dbraw/zinc/23/09/31/968230931.db2.gz BBEXOEBTQKLSGK-RSPOEFSDSA-N 1 3 373.541 2.813 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001087684661 968597884 /nfs/dbraw/zinc/59/78/84/968597884.db2.gz HAGSCKJJNWBCFG-FGTMMUONSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC001087684661 968597893 /nfs/dbraw/zinc/59/78/93/968597893.db2.gz HAGSCKJJNWBCFG-FGTMMUONSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(F)cc1C ZINC001087796696 969099372 /nfs/dbraw/zinc/09/93/72/969099372.db2.gz KJHAZBVSGGIPSS-FFZOFVMBSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(F)cc1C ZINC001087796696 969099382 /nfs/dbraw/zinc/09/93/82/969099382.db2.gz KJHAZBVSGGIPSS-FFZOFVMBSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1cccc(OC)c1C ZINC001087799288 969114539 /nfs/dbraw/zinc/11/45/39/969114539.db2.gz MMJIFUKKQDWBPI-RBUKOAKNSA-N 1 3 371.525 2.569 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892560820 969485663 /nfs/dbraw/zinc/48/56/63/969485663.db2.gz BSMIXNMXCQSBGI-FZNQNYSPSA-N 1 3 372.435 2.516 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033093 969650250 /nfs/dbraw/zinc/65/02/50/969650250.db2.gz HZNHYSTXECKISK-OALUTQOASA-N 1 3 360.502 2.734 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033093 969650253 /nfs/dbraw/zinc/65/02/53/969650253.db2.gz HZNHYSTXECKISK-OALUTQOASA-N 1 3 360.502 2.734 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659042038 969662772 /nfs/dbraw/zinc/66/27/72/969662772.db2.gz RTJLGGMCEGJXGA-QAPCUYQASA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659042038 969662776 /nfs/dbraw/zinc/66/27/76/969662776.db2.gz RTJLGGMCEGJXGA-QAPCUYQASA-N 1 3 360.502 2.589 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000659047760 969667898 /nfs/dbraw/zinc/66/78/98/969667898.db2.gz USXSQKCZIDPEFQ-UZLBHIALSA-N 1 3 372.513 2.686 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@H+](C2CCC2)C1 ZINC000659047760 969667901 /nfs/dbraw/zinc/66/79/01/969667901.db2.gz USXSQKCZIDPEFQ-UZLBHIALSA-N 1 3 372.513 2.686 20 0 FFADHO CCc1nn(C)cc1CN[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000092389516 969700505 /nfs/dbraw/zinc/70/05/05/969700505.db2.gz OBOBNIROMLARGP-OAHLLOKOSA-N 1 3 359.493 2.724 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659314518 969828350 /nfs/dbraw/zinc/82/83/50/969828350.db2.gz KOMAUQJNVXPVOQ-FQEVSTJZSA-N 1 3 350.466 2.649 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659355548 969862284 /nfs/dbraw/zinc/86/22/84/969862284.db2.gz RBNZJCXGXGFPEJ-ZCNNSNEGSA-N 1 3 353.441 2.622 20 0 FFADHO Cc1nc(CNCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)sc1C ZINC001104599383 969904759 /nfs/dbraw/zinc/90/47/59/969904759.db2.gz NROTZICZEOLKGW-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CCNCc1cccc(F)c1F ZINC001104599943 969908174 /nfs/dbraw/zinc/90/81/74/969908174.db2.gz MEFXFZNPILSPBO-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)c2ccccc2)CC1 ZINC000659441646 969933025 /nfs/dbraw/zinc/93/30/25/969933025.db2.gz VMMLAKXQMRGTNJ-BIXGBWIQSA-N 1 3 356.514 2.592 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)cc2)CC1 ZINC001116036389 1032079815 /nfs/dbraw/zinc/07/98/15/1032079815.db2.gz VEVGFIQTSBZLME-VQTJNVASSA-N 1 3 373.545 2.823 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCc3cccs3)CC[C@@H]2C1 ZINC001088106210 972810657 /nfs/dbraw/zinc/81/06/57/972810657.db2.gz QJYDNUWQOKBDMJ-KURKYZTESA-N 1 3 361.555 2.555 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCc3cccs3)CC[C@@H]2C1 ZINC001088106210 972810661 /nfs/dbraw/zinc/81/06/61/972810661.db2.gz QJYDNUWQOKBDMJ-KURKYZTESA-N 1 3 361.555 2.555 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@@H+](CCC4CC4)CC[C@@H]3C2)C1 ZINC001088106582 972824622 /nfs/dbraw/zinc/82/46/22/972824622.db2.gz IEIXVLHIIJABJE-LVCYWYKZSA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@H+](CCC4CC4)CC[C@@H]3C2)C1 ZINC001088106582 972824632 /nfs/dbraw/zinc/82/46/32/972824632.db2.gz IEIXVLHIIJABJE-LVCYWYKZSA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106879 972830001 /nfs/dbraw/zinc/83/00/01/972830001.db2.gz VKAKFGFBYBNZBX-UWVAXJGDSA-N 1 3 353.526 2.635 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106879 972830011 /nfs/dbraw/zinc/83/00/11/972830011.db2.gz VKAKFGFBYBNZBX-UWVAXJGDSA-N 1 3 353.526 2.635 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000660838524 972973146 /nfs/dbraw/zinc/97/31/46/972973146.db2.gz WLSHYBCOYZXMKZ-PMACEKPBSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000660838524 972973152 /nfs/dbraw/zinc/97/31/52/972973152.db2.gz WLSHYBCOYZXMKZ-PMACEKPBSA-N 1 3 370.541 2.682 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000896960497 973079162 /nfs/dbraw/zinc/07/91/62/973079162.db2.gz WHAONWFVKYJNOB-FXAWDEMLSA-N 1 3 361.530 2.828 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000896960497 973079176 /nfs/dbraw/zinc/07/91/76/973079176.db2.gz WHAONWFVKYJNOB-FXAWDEMLSA-N 1 3 361.530 2.828 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000897217693 973453864 /nfs/dbraw/zinc/45/38/64/973453864.db2.gz FVKWHLOOZUIFHD-CTNGQTDRSA-N 1 3 373.541 2.925 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](CC4CCC4)CC[C@@H]3C2)c1 ZINC001088210718 973663430 /nfs/dbraw/zinc/66/34/30/973663430.db2.gz YDKQJUFVDXKXDR-RTWAWAEBSA-N 1 3 355.526 2.942 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](CC4CCC4)CC[C@@H]3C2)c1 ZINC001088210718 973663434 /nfs/dbraw/zinc/66/34/34/973663434.db2.gz YDKQJUFVDXKXDR-RTWAWAEBSA-N 1 3 355.526 2.942 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212400 973670649 /nfs/dbraw/zinc/67/06/49/973670649.db2.gz JDLUQDASZJZNBA-NZSAHSFTSA-N 1 3 361.505 2.890 20 0 FFADHO CN(C(=O)c1cc(C(C)(C)N)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000662720353 973768190 /nfs/dbraw/zinc/76/81/90/973768190.db2.gz YXHYZDNSXPPLGE-UHFFFAOYSA-N 1 3 356.470 2.605 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000662729691 973840930 /nfs/dbraw/zinc/84/09/30/973840930.db2.gz QAKVJGBPHRFXMJ-FCHUYYIVSA-N 1 3 357.542 2.704 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3([NH2+]C4CC4)CCC3)c(C)c2)CC1 ZINC000662754011 973945977 /nfs/dbraw/zinc/94/59/77/973945977.db2.gz AZLVZHYRYYKWKH-UHFFFAOYSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000665759951 974093842 /nfs/dbraw/zinc/09/38/42/974093842.db2.gz UVMJUFARXUSQSH-RXVVDRJESA-N 1 3 360.546 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000665759951 974093849 /nfs/dbraw/zinc/09/38/49/974093849.db2.gz UVMJUFARXUSQSH-RXVVDRJESA-N 1 3 360.546 2.632 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001027419530 974408070 /nfs/dbraw/zinc/40/80/70/974408070.db2.gz RTCKIZKVFXLCBD-HSALFYBXSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC001027419530 974408075 /nfs/dbraw/zinc/40/80/75/974408075.db2.gz RTCKIZKVFXLCBD-HSALFYBXSA-N 1 3 361.505 2.979 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662883439 974474600 /nfs/dbraw/zinc/47/46/00/974474600.db2.gz KAKIZMHIJNSXFY-FQEVSTJZSA-N 1 3 365.477 2.607 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]([C@@H]2CCCCO2)C1)c1ccccc1 ZINC000661872434 974892937 /nfs/dbraw/zinc/89/29/37/974892937.db2.gz AEJWFRSBLSDGEQ-NJYVYQBISA-N 1 3 373.541 2.687 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297255 975413933 /nfs/dbraw/zinc/41/39/33/975413933.db2.gz OVCZGPLBQFRVEI-MAUKXSAKSA-N 1 3 372.513 2.684 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C/C=C\Cl)C2)C1 ZINC001112530071 975491784 /nfs/dbraw/zinc/49/17/84/975491784.db2.gz BSWAZWACGAKLLI-IZRVQTEUSA-N 1 3 353.938 2.689 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638499 975773990 /nfs/dbraw/zinc/77/39/90/975773990.db2.gz RNZBHZOKBXZVEV-VQTJNVASSA-N 1 3 358.530 2.708 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662660078 975794180 /nfs/dbraw/zinc/79/41/80/975794180.db2.gz BKSNOSSTLYJUFV-GOSISDBHSA-N 1 3 369.534 2.783 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662660078 975794188 /nfs/dbraw/zinc/79/41/88/975794188.db2.gz BKSNOSSTLYJUFV-GOSISDBHSA-N 1 3 369.534 2.783 20 0 FFADHO C(=C\c1ccccc1)\CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663511346 976090861 /nfs/dbraw/zinc/09/08/61/976090861.db2.gz JIGQURSYIKSBID-LKJUBWIJSA-N 1 3 351.498 2.712 20 0 FFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028152396 976947676 /nfs/dbraw/zinc/94/76/76/976947676.db2.gz UYAXKHBUTXJJQT-HBMCJLEFSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028152396 976947684 /nfs/dbraw/zinc/94/76/84/976947684.db2.gz UYAXKHBUTXJJQT-HBMCJLEFSA-N 1 3 355.526 2.879 20 0 FFADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667792573 977035975 /nfs/dbraw/zinc/03/59/75/977035975.db2.gz CWHDCCGIXPOOPF-FCHUYYIVSA-N 1 3 357.542 2.742 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793524 977039273 /nfs/dbraw/zinc/03/92/73/977039273.db2.gz DDSDHUCWCJGDIP-HUUCEWRRSA-N 1 3 359.518 2.605 20 0 FFADHO CCCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000645180730 977927117 /nfs/dbraw/zinc/92/71/17/977927117.db2.gz NGFAHQXTRYXVEX-HXUWFJFHSA-N 1 3 372.557 2.949 20 0 FFADHO CCCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645180730 977927123 /nfs/dbraw/zinc/92/71/23/977927123.db2.gz NGFAHQXTRYXVEX-HXUWFJFHSA-N 1 3 372.557 2.949 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@@H]2CNCc3ccccc32)(c2ccccc2)CC1 ZINC000877224277 1014517040 /nfs/dbraw/zinc/51/70/40/1014517040.db2.gz GOPJXBNEERNMAB-OAQYLSRUSA-N 1 3 363.505 2.653 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242553 979274208 /nfs/dbraw/zinc/27/42/08/979274208.db2.gz JHQUGJRNEFURMT-BVYCBKJFSA-N 1 3 369.553 2.666 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242553 979274213 /nfs/dbraw/zinc/27/42/13/979274213.db2.gz JHQUGJRNEFURMT-BVYCBKJFSA-N 1 3 369.553 2.666 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001076244236 979278602 /nfs/dbraw/zinc/27/86/02/979278602.db2.gz MQNJJWYCKXKVJU-RBDMOPTHSA-N 1 3 367.537 2.939 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001076244236 979278608 /nfs/dbraw/zinc/27/86/08/979278608.db2.gz MQNJJWYCKXKVJU-RBDMOPTHSA-N 1 3 367.537 2.939 20 0 FFADHO CC(C)c1ccc(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001076467267 979522967 /nfs/dbraw/zinc/52/29/67/979522967.db2.gz HSSGORMRLZDIDH-LEWJYISDSA-N 1 3 367.537 2.939 20 0 FFADHO COC(=O)c1cccc2c(CNCCC[N@@H+]3CCCO[C@H](C)C3)ccnc12 ZINC000877477235 1014595938 /nfs/dbraw/zinc/59/59/38/1014595938.db2.gz AUBHHQYOZBXQDG-MRXNPFEDSA-N 1 3 371.481 2.612 20 0 FFADHO COC(=O)c1cccc2c(CNCCC[N@H+]3CCCO[C@H](C)C3)ccnc12 ZINC000877477235 1014595944 /nfs/dbraw/zinc/59/59/44/1014595944.db2.gz AUBHHQYOZBXQDG-MRXNPFEDSA-N 1 3 371.481 2.612 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccccc2OC(C)C)CC[N@@H+]1C ZINC001483228880 980166348 /nfs/dbraw/zinc/16/63/48/980166348.db2.gz ZSLYZVSCODZMCT-YTQUADARSA-N 1 3 361.530 2.798 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccccc2OC(C)C)CC[N@H+]1C ZINC001483228880 980166355 /nfs/dbraw/zinc/16/63/55/980166355.db2.gz ZSLYZVSCODZMCT-YTQUADARSA-N 1 3 361.530 2.798 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3CC[NH3+])cc2)CC1 ZINC000904280841 980234102 /nfs/dbraw/zinc/23/41/02/980234102.db2.gz BLPSWKASUMXQBZ-YLJYHZDGSA-N 1 3 373.545 2.810 20 0 FFADHO C[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CCC[C@@H]1C[NH3+] ZINC001205992606 1032099036 /nfs/dbraw/zinc/09/90/36/1032099036.db2.gz FUDIWAZNLFYFEJ-DGCLKSJQSA-N 1 3 355.276 2.985 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000906915921 981171917 /nfs/dbraw/zinc/17/19/17/981171917.db2.gz TYGGTQKAJQUGMU-GOSISDBHSA-N 1 3 359.514 2.704 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000906915921 981171919 /nfs/dbraw/zinc/17/19/19/981171919.db2.gz TYGGTQKAJQUGMU-GOSISDBHSA-N 1 3 359.514 2.704 20 0 FFADHO CN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000668599484 981232854 /nfs/dbraw/zinc/23/28/54/981232854.db2.gz UVAOLQWIHLURBG-FPOVZHCZSA-N 1 3 355.526 2.636 20 0 FFADHO CN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000668599484 981232858 /nfs/dbraw/zinc/23/28/58/981232858.db2.gz UVAOLQWIHLURBG-FPOVZHCZSA-N 1 3 355.526 2.636 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOc3ccc(C)cc3)[C@@H]2C)CC[N@@H+]1C ZINC001088579328 981291065 /nfs/dbraw/zinc/29/10/65/981291065.db2.gz ARSJFIJEUVQAJE-BVOGOJNSSA-N 1 3 373.541 2.683 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCOc3ccc(C)cc3)[C@@H]2C)CC[N@H+]1C ZINC001088579328 981291070 /nfs/dbraw/zinc/29/10/70/981291070.db2.gz ARSJFIJEUVQAJE-BVOGOJNSSA-N 1 3 373.541 2.683 20 0 FFADHO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000796443759 1014839405 /nfs/dbraw/zinc/83/94/05/1014839405.db2.gz LKJYUSZBMXSGEY-DENIHFKCSA-N 1 3 370.493 2.820 20 0 FFADHO COC(=O)C1=C(C)O[C@@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000796443759 1014839415 /nfs/dbraw/zinc/83/94/15/1014839415.db2.gz LKJYUSZBMXSGEY-DENIHFKCSA-N 1 3 370.493 2.820 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000897922833 982555949 /nfs/dbraw/zinc/55/59/49/982555949.db2.gz YEGGZJRKTJWNMJ-HXUWFJFHSA-N 1 3 359.514 2.867 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000666932065 982977249 /nfs/dbraw/zinc/97/72/49/982977249.db2.gz HHIWSKVTGRMWSQ-HNNXBMFYSA-N 1 3 365.522 2.900 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000666932065 982977251 /nfs/dbraw/zinc/97/72/51/982977251.db2.gz HHIWSKVTGRMWSQ-HNNXBMFYSA-N 1 3 365.522 2.900 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000121267325 982997673 /nfs/dbraw/zinc/99/76/73/982997673.db2.gz SEPHPHFETXARBK-BDTNDASRSA-N 1 3 369.553 2.871 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000668899982 983916743 /nfs/dbraw/zinc/91/67/43/983916743.db2.gz ZCBMKRKPCTTXPH-HKUYNNGSSA-N 1 3 362.518 2.519 20 0 FFADHO CC(C)(C)OC(=O)N1CCC(CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000151248597 984232050 /nfs/dbraw/zinc/23/20/50/984232050.db2.gz CLNLHYYJISDWKI-UHFFFAOYSA-N 1 3 360.502 2.851 20 0 FFADHO c1ccc(O[C@H]2CN(C3CC[NH+](CC4CC4)CC3)[C@@H]3CCCO[C@@H]32)nc1 ZINC001168378330 984333371 /nfs/dbraw/zinc/33/33/71/984333371.db2.gz UJQBSAWTOQLNOS-DYXWJJEUSA-N 1 3 357.498 2.567 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@H]2CCc3cc(F)ccc32)(N2CCCCC2)CC1 ZINC000669252158 984385008 /nfs/dbraw/zinc/38/50/08/984385008.db2.gz JLBTVLKPFLMFMA-FQEVSTJZSA-N 1 3 373.516 2.922 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402490 984508162 /nfs/dbraw/zinc/50/81/62/984508162.db2.gz MMGGKWUUQAPGEG-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO CCOCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402490 984508167 /nfs/dbraw/zinc/50/81/67/984508167.db2.gz MMGGKWUUQAPGEG-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC(C)C)CC2 ZINC001107426219 984527417 /nfs/dbraw/zinc/52/74/17/984527417.db2.gz JTQCXDGEGOINTJ-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC(C)C)CC2 ZINC001107426219 984527421 /nfs/dbraw/zinc/52/74/21/984527421.db2.gz JTQCXDGEGOINTJ-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CN1Cc1ccccc1 ZINC000669528941 984735250 /nfs/dbraw/zinc/73/52/50/984735250.db2.gz VHZHLCJVXXVRHG-IERDGZPVSA-N 1 3 364.493 2.752 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](OC)C1CCC1)CC2 ZINC001107617733 984839268 /nfs/dbraw/zinc/83/92/68/984839268.db2.gz QPRVHVGHEWELSH-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](OC)C1CCC1)CC2 ZINC001107617733 984839282 /nfs/dbraw/zinc/83/92/82/984839282.db2.gz QPRVHVGHEWELSH-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC[C@H]1CCOC1)CC2 ZINC001107617713 984842370 /nfs/dbraw/zinc/84/23/70/984842370.db2.gz PKQJNTKDPFSSDW-QKNQBKEWSA-N 1 3 365.562 2.506 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC[C@H]1CCOC1)CC2 ZINC001107617713 984842384 /nfs/dbraw/zinc/84/23/84/984842384.db2.gz PKQJNTKDPFSSDW-QKNQBKEWSA-N 1 3 365.562 2.506 20 0 FFADHO CO[C@H](C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12)C1CCC1 ZINC001107646140 984936097 /nfs/dbraw/zinc/93/60/97/984936097.db2.gz DXARBADJBWQQQM-SFHLNBCPSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@H](C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12)C1CCC1 ZINC001107646140 984936105 /nfs/dbraw/zinc/93/61/05/984936105.db2.gz DXARBADJBWQQQM-SFHLNBCPSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc2ccccc2c1 ZINC001089038737 986054399 /nfs/dbraw/zinc/05/43/99/986054399.db2.gz JKBDUYSIRXGFRN-HBGVWJBISA-N 1 3 351.494 2.871 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2ccccc2c1 ZINC001089038737 986054413 /nfs/dbraw/zinc/05/44/13/986054413.db2.gz JKBDUYSIRXGFRN-HBGVWJBISA-N 1 3 351.494 2.871 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715061208 986931494 /nfs/dbraw/zinc/93/14/94/986931494.db2.gz KZKCOFBBHFEAJS-GUDVDZBRSA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715061208 986931503 /nfs/dbraw/zinc/93/15/03/986931503.db2.gz KZKCOFBBHFEAJS-GUDVDZBRSA-N 1 3 361.555 2.580 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN([C@H]3CCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001002861176 987547431 /nfs/dbraw/zinc/54/74/31/987547431.db2.gz UOSWQLBBIFSEQL-DJKXOVBDSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN([C@H]3CCc4ccc(F)cc43)CC2)CC[N@H+]1C ZINC001002861176 987547434 /nfs/dbraw/zinc/54/74/34/987547434.db2.gz UOSWQLBBIFSEQL-DJKXOVBDSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN([C@H]3CCc4c3cccc4F)CC2)CC[N@@H+]1C ZINC001002860164 987554141 /nfs/dbraw/zinc/55/41/41/987554141.db2.gz IPKCXWPETNGYRP-KKVAFCGZSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN([C@H]3CCc4c3cccc4F)CC2)CC[N@H+]1C ZINC001002860164 987554149 /nfs/dbraw/zinc/55/41/49/987554149.db2.gz IPKCXWPETNGYRP-KKVAFCGZSA-N 1 3 359.489 2.734 20 0 FFADHO Cc1cc2ccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cn2c1 ZINC000672819974 987612037 /nfs/dbraw/zinc/61/20/37/987612037.db2.gz NXCDCFRDCVGFMS-UHFFFAOYSA-N 1 3 354.498 2.536 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249299 987756265 /nfs/dbraw/zinc/75/62/65/987756265.db2.gz GBFDQJXQXPGZDC-YHYVQYDKSA-N 1 3 371.569 2.816 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212498007 987778115 /nfs/dbraw/zinc/77/81/15/987778115.db2.gz YXSKXASOCHKQNF-IEVDXQOXSA-N 1 3 365.562 2.669 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212498007 987778119 /nfs/dbraw/zinc/77/81/19/987778119.db2.gz YXSKXASOCHKQNF-IEVDXQOXSA-N 1 3 365.562 2.669 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001106281971 987839601 /nfs/dbraw/zinc/83/96/01/987839601.db2.gz NKBYBPSZFHYJGW-NRSPTQNISA-N 1 3 359.558 2.808 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1)N(C)C ZINC001106283682 987845015 /nfs/dbraw/zinc/84/50/15/987845015.db2.gz VXXVLNYQZUUUJS-JZGBGHTLSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccccc2Cl)[C@H](C)C1)N(C)C ZINC001106313346 987946288 /nfs/dbraw/zinc/94/62/88/987946288.db2.gz XMWLUEBRXODCDE-SZVBFZGTSA-N 1 3 365.949 2.907 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC001106340137 987983849 /nfs/dbraw/zinc/98/38/49/987983849.db2.gz MZTWHUARRXAHOW-SJLPKXTDSA-N 1 3 363.521 2.783 20 0 FFADHO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001168484690 988047875 /nfs/dbraw/zinc/04/78/75/988047875.db2.gz GQOWSDCCPPHLTE-KRWDZBQOSA-N 1 3 371.500 2.581 20 0 FFADHO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001168484690 988047887 /nfs/dbraw/zinc/04/78/87/988047887.db2.gz GQOWSDCCPPHLTE-KRWDZBQOSA-N 1 3 371.500 2.581 20 0 FFADHO OC1(CNCc2ccnn2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000922185576 988061358 /nfs/dbraw/zinc/06/13/58/988061358.db2.gz NQTZDHYQBFUOIF-UHFFFAOYSA-N 1 3 354.498 2.725 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001085196531 988277720 /nfs/dbraw/zinc/27/77/20/988277720.db2.gz CWPVUEKNCJGKEA-VAMGGRTRSA-N 1 3 358.530 2.780 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665067 988608216 /nfs/dbraw/zinc/60/82/16/988608216.db2.gz GOHKPJVHCRJXJC-XQBPLPMBSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C2)C1 ZINC001106666047 988609296 /nfs/dbraw/zinc/60/92/96/988609296.db2.gz FVYDSOSTMZIHPV-BZUAXINKSA-N 1 3 363.468 2.745 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001106668200 988614960 /nfs/dbraw/zinc/61/49/60/988614960.db2.gz HSEOOVOPZFBXJP-UYAOXDASSA-N 1 3 357.542 2.645 20 0 FFADHO C[NH+]1CCN(C(=N)Nc2nc3cc(C(F)(F)F)ccc3nc2Cl)CC1 ZINC001168734766 988895459 /nfs/dbraw/zinc/89/54/59/988895459.db2.gz AFIBQYWKUZXHET-UHFFFAOYSA-N 1 3 372.782 2.896 20 0 FFADHO COc1ccc(CN2CC[C@H](N3CCC4(CC3)CC[NH+](C)CC4)C2=O)cc1 ZINC000879250816 1015438937 /nfs/dbraw/zinc/43/89/37/1015438937.db2.gz JALZVDYPIZQBGA-FQEVSTJZSA-N 1 3 371.525 2.604 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)sc2C)[C@H](C)C1 ZINC001106778861 989034207 /nfs/dbraw/zinc/03/42/07/989034207.db2.gz VHQZNJLQMQMWMR-RDTXWAMCSA-N 1 3 351.560 2.891 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCOC2CCCCCC2)[C@H](C)C1 ZINC001106784903 989056357 /nfs/dbraw/zinc/05/63/57/989056357.db2.gz ODJBEELHGRATEQ-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO c1ccc([C@H]2CC[C@@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C[NH2+]2)cc1 ZINC001212211825 989165487 /nfs/dbraw/zinc/16/54/87/989165487.db2.gz IBVZCECAFYEDHG-IAGOWNOFSA-N 1 3 361.449 2.986 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000673776506 989260263 /nfs/dbraw/zinc/26/02/63/989260263.db2.gz ITHFATFNQKGHRO-NQIIRXRSSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000673776506 989260268 /nfs/dbraw/zinc/26/02/68/989260268.db2.gz ITHFATFNQKGHRO-NQIIRXRSSA-N 1 3 370.541 2.777 20 0 FFADHO COc1ccc([C@H](NCCCC[NH+]2CCN(C)CC2)c2ccccn2)cc1 ZINC000652139337 1015475017 /nfs/dbraw/zinc/47/50/17/1015475017.db2.gz IHMLGGHNMCHOGH-QFIPXVFZSA-N 1 3 368.525 2.797 20 0 FFADHO C(=C/C[NH+]1CCC(c2c[nH]cn2)CC1)\CN1CCC(c2c[nH]cn2)CC1 ZINC000674371925 989681372 /nfs/dbraw/zinc/68/13/72/989681372.db2.gz FIXNPPTYGGRKCX-OWOJBTEDSA-N 1 3 354.502 2.748 20 0 FFADHO OC1(CNCc2cccc3c2OCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000703061832 990103880 /nfs/dbraw/zinc/10/38/80/990103880.db2.gz BTRNWWJYOVKCDS-UHFFFAOYSA-N 1 3 352.478 2.738 20 0 FFADHO OC1(C[NH2+]Cc2cccc3c2OCC3)CCN(Cc2ccccc2)CC1 ZINC000703061832 990103881 /nfs/dbraw/zinc/10/38/81/990103881.db2.gz BTRNWWJYOVKCDS-UHFFFAOYSA-N 1 3 352.478 2.738 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001085196853 990410189 /nfs/dbraw/zinc/41/01/89/990410189.db2.gz QGUJSNIVLOAXIQ-ZACQAIPSSA-N 1 3 357.489 2.922 20 0 FFADHO CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000923298568 991042492 /nfs/dbraw/zinc/04/24/92/991042492.db2.gz VYRVYDPYZSBQIR-ALOPSCKCSA-N 1 3 373.497 2.639 20 0 FFADHO COc1ccc(CN2CCCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2=O)cc1 ZINC000923374670 991102434 /nfs/dbraw/zinc/10/24/34/991102434.db2.gz XOEXOVMQJULHPM-IHWFROFDSA-N 1 3 371.525 2.650 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cccc(C(=O)N3CCCCC3)c1)CC2 ZINC000923450313 991154991 /nfs/dbraw/zinc/15/49/91/991154991.db2.gz VBVHFTZZVNRPRG-FQEVSTJZSA-N 1 3 371.525 2.643 20 0 FFADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000923520250 991208281 /nfs/dbraw/zinc/20/82/81/991208281.db2.gz PMUNNJASXZVWDV-WAOWUJCRSA-N 1 3 369.534 2.885 20 0 FFADHO CN(C)[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000078434429 991434386 /nfs/dbraw/zinc/43/43/86/991434386.db2.gz YIKINKJVTNQPDM-HXUWFJFHSA-N 1 3 354.498 2.850 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079151369 991815548 /nfs/dbraw/zinc/81/55/48/991815548.db2.gz OASCLUVAOQHRHI-XUVXKRRUSA-N 1 3 361.505 2.993 20 0 FFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCC2CC2)C1 ZINC001079159298 991862256 /nfs/dbraw/zinc/86/22/56/991862256.db2.gz UYHOYCFUKUZUTC-VQTJNVASSA-N 1 3 370.472 2.866 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CCNC(=O)C2CC2)cc1CN1CCCCC1 ZINC000182216710 991984413 /nfs/dbraw/zinc/98/44/13/991984413.db2.gz CRKAOWXHTCVSGD-MRXNPFEDSA-N 1 3 359.514 2.858 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1F ZINC001079311181 992012061 /nfs/dbraw/zinc/01/20/61/992012061.db2.gz SMUSACQONWDUBF-IMFGXOCKSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)=CCN1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008607405 1015678669 /nfs/dbraw/zinc/67/86/69/1015678669.db2.gz BAAODIHDURDPTR-NJYVYQBISA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008607405 1015678670 /nfs/dbraw/zinc/67/86/70/1015678670.db2.gz BAAODIHDURDPTR-NJYVYQBISA-N 1 3 355.526 2.879 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707398 992347363 /nfs/dbraw/zinc/34/73/63/992347363.db2.gz CZNXZAJSLMBJAR-NPFVIJTESA-N 1 3 367.537 2.842 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CNCc1nccs1 ZINC001106997381 992914267 /nfs/dbraw/zinc/91/42/67/992914267.db2.gz BBPALTROWMCUHK-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383688 993001877 /nfs/dbraw/zinc/00/18/77/993001877.db2.gz RBPFDGBAGBLNOV-JSNMRZPZSA-N 1 3 359.489 2.591 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001107034077 993252125 /nfs/dbraw/zinc/25/21/25/993252125.db2.gz HPZCESKRJFMFOZ-GDBMZVCRSA-N 1 3 371.447 2.998 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccsc2)[C@H](C)C1 ZINC001107041065 993294151 /nfs/dbraw/zinc/29/41/51/993294151.db2.gz YTHFQYAEHYXPBN-SJLPKXTDSA-N 1 3 351.560 2.705 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1c1ccccc1 ZINC001081179895 993739510 /nfs/dbraw/zinc/73/95/10/993739510.db2.gz PZXPBHGADLGCDS-WAOWUJCRSA-N 1 3 361.505 2.803 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001131558294 994393066 /nfs/dbraw/zinc/39/30/66/994393066.db2.gz SDDGGIILIDUAOJ-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCC(C)C)CC1 ZINC001131583148 994428193 /nfs/dbraw/zinc/42/81/93/994428193.db2.gz RUFNBAOIRYDKFP-CTNGQTDRSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1NCc1ccccn1 ZINC001082513304 994785346 /nfs/dbraw/zinc/78/53/46/994785346.db2.gz IHPHZSVYPNAOKG-LVCYWYKZSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1NCc1ccccn1 ZINC001082513304 994785358 /nfs/dbraw/zinc/78/53/58/994785358.db2.gz IHPHZSVYPNAOKG-LVCYWYKZSA-N 1 3 370.541 2.673 20 0 FFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559487 994933721 /nfs/dbraw/zinc/93/37/21/994933721.db2.gz GTWSSAGXVKIQMS-ZMYBRWDISA-N 1 3 363.933 2.925 20 0 FFADHO CCN1CCCN(C(=O)Nc2cccc(OCC[NH+](CC)CC)c2)CC1 ZINC000903456599 1015902641 /nfs/dbraw/zinc/90/26/41/1015902641.db2.gz NAJQGUOLQMULIV-UHFFFAOYSA-N 1 3 362.518 2.967 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)s1 ZINC001086694249 995127144 /nfs/dbraw/zinc/12/71/44/995127144.db2.gz JKDBXBBKQKUXSO-JZXOWHBKSA-N 1 3 364.559 2.699 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000811520233 995163922 /nfs/dbraw/zinc/16/39/22/995163922.db2.gz LQQLGIWSXCHASH-PXNSSMCTSA-N 1 3 365.493 2.627 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000811520233 995163925 /nfs/dbraw/zinc/16/39/25/995163925.db2.gz LQQLGIWSXCHASH-PXNSSMCTSA-N 1 3 365.493 2.627 20 0 FFADHO CC(C)C[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000811501067 995169334 /nfs/dbraw/zinc/16/93/34/995169334.db2.gz QYHZRWPFQQTYRR-QGZVFWFLSA-N 1 3 370.582 2.541 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000727469218 995832448 /nfs/dbraw/zinc/83/24/48/995832448.db2.gz YVVFROUUEDIRLV-BZSNNMDCSA-N 1 3 369.550 2.865 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nsc2C)C1 ZINC001082943303 995881096 /nfs/dbraw/zinc/88/10/96/995881096.db2.gz CUZCOUYCAQPIAO-XWIAVFTESA-N 1 3 364.559 2.571 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001085197026 995917984 /nfs/dbraw/zinc/91/79/84/995917984.db2.gz ZOSVBWYUYUVEDZ-VAMGGRTRSA-N 1 3 358.530 2.780 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3ccc(C)cc3)C[C@H]21 ZINC001084388701 996530554 /nfs/dbraw/zinc/53/05/54/996530554.db2.gz AZHLSISULYAENB-BHIFYINESA-N 1 3 369.553 2.945 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCc3ccc(C)cc3)C[C@H]21 ZINC001084388701 996530557 /nfs/dbraw/zinc/53/05/57/996530557.db2.gz AZHLSISULYAENB-BHIFYINESA-N 1 3 369.553 2.945 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccc(C)cc3)C[C@H]21 ZINC001084388701 996530561 /nfs/dbraw/zinc/53/05/61/996530561.db2.gz AZHLSISULYAENB-BHIFYINESA-N 1 3 369.553 2.945 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccc(C)cc3)C[C@H]21 ZINC001084388701 996530565 /nfs/dbraw/zinc/53/05/65/996530565.db2.gz AZHLSISULYAENB-BHIFYINESA-N 1 3 369.553 2.945 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001084629017 996743293 /nfs/dbraw/zinc/74/32/93/996743293.db2.gz ADLININAJBQQPN-NHCUHLMSSA-N 1 3 355.526 2.678 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000824645509 997025912 /nfs/dbraw/zinc/02/59/12/997025912.db2.gz LEOQHUNUYSYWRZ-HNNXBMFYSA-N 1 3 357.458 2.614 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000824645509 997025920 /nfs/dbraw/zinc/02/59/20/997025920.db2.gz LEOQHUNUYSYWRZ-HNNXBMFYSA-N 1 3 357.458 2.614 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000824645509 997025931 /nfs/dbraw/zinc/02/59/31/997025931.db2.gz LEOQHUNUYSYWRZ-HNNXBMFYSA-N 1 3 357.458 2.614 20 0 FFADHO CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000824645509 997025943 /nfs/dbraw/zinc/02/59/43/997025943.db2.gz LEOQHUNUYSYWRZ-HNNXBMFYSA-N 1 3 357.458 2.614 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001084773398 997297488 /nfs/dbraw/zinc/29/74/88/997297488.db2.gz OGKCAPNFJKJEPG-VAMGGRTRSA-N 1 3 359.489 2.531 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001084773398 997297499 /nfs/dbraw/zinc/29/74/99/997297499.db2.gz OGKCAPNFJKJEPG-VAMGGRTRSA-N 1 3 359.489 2.531 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903759557 1016180849 /nfs/dbraw/zinc/18/08/49/1016180849.db2.gz AHEPHLDMQAJHMO-WOJBJXKFSA-N 1 3 356.514 2.530 20 0 FFADHO C[N@@H+]1CCC[C@@H](CC(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001273255517 998716161 /nfs/dbraw/zinc/71/61/61/998716161.db2.gz QPRJRCUGCPGOBI-HNNXBMFYSA-N 1 3 361.452 2.595 20 0 FFADHO C[N@H+]1CCC[C@@H](CC(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)C1 ZINC001273255517 998716163 /nfs/dbraw/zinc/71/61/63/998716163.db2.gz QPRJRCUGCPGOBI-HNNXBMFYSA-N 1 3 361.452 2.595 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3CC[N@H+](CCC4CC4)[C@H]3C2)C1 ZINC001085033123 998724720 /nfs/dbraw/zinc/72/47/20/998724720.db2.gz ROKUMYSXTNHMPW-LVCYWYKZSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3CC[N@@H+](CCC4CC4)[C@H]3C2)C1 ZINC001085033123 998724722 /nfs/dbraw/zinc/72/47/22/998724722.db2.gz ROKUMYSXTNHMPW-LVCYWYKZSA-N 1 3 365.537 2.922 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000677583366 1016243205 /nfs/dbraw/zinc/24/32/05/1016243205.db2.gz DFMXINLUDPQXIC-AABGKKOBSA-N 1 3 356.514 2.702 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCc3ccccc3)[C@H]2C1)c1c[nH]cn1 ZINC001085075799 998857473 /nfs/dbraw/zinc/85/74/73/998857473.db2.gz LQMYQJUGRIVTSQ-MOPGFXCFSA-N 1 3 366.509 2.853 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCc3ccccc3)[C@H]2C1)c1c[nH]cn1 ZINC001085075799 998857478 /nfs/dbraw/zinc/85/74/78/998857478.db2.gz LQMYQJUGRIVTSQ-MOPGFXCFSA-N 1 3 366.509 2.853 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(Cc4cc5ccccc5o4)[C@H]3C2)C1 ZINC001085092508 998922850 /nfs/dbraw/zinc/92/28/50/998922850.db2.gz BSJOJQUMMQMWJY-KPFFTGBYSA-N 1 3 367.493 2.807 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(Cc4cc5ccccc5o4)[C@H]3C2)C1 ZINC001085092508 998922854 /nfs/dbraw/zinc/92/28/54/998922854.db2.gz BSJOJQUMMQMWJY-KPFFTGBYSA-N 1 3 367.493 2.807 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1)N1CCCCC1 ZINC001085198458 999143309 /nfs/dbraw/zinc/14/33/09/999143309.db2.gz VRVWHSRAZLQIMJ-IPMKNSEASA-N 1 3 365.562 2.837 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001085224936 999194121 /nfs/dbraw/zinc/19/41/21/999194121.db2.gz BASCPQOBMRYSAY-KBAYOESNSA-N 1 3 364.559 2.923 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001085224936 999194124 /nfs/dbraw/zinc/19/41/24/999194124.db2.gz BASCPQOBMRYSAY-KBAYOESNSA-N 1 3 364.559 2.923 20 0 FFADHO Cc1c(C[C@H](CN)C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cnn1C ZINC000903915119 1016303805 /nfs/dbraw/zinc/30/38/05/1016303805.db2.gz NFCJZEPOHKPFAE-CZAAIQMYSA-N 1 3 374.504 2.837 20 0 FFADHO Cc1c(C[C@H](CN)C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cnn1C ZINC000903915119 1016303808 /nfs/dbraw/zinc/30/38/08/1016303808.db2.gz NFCJZEPOHKPFAE-CZAAIQMYSA-N 1 3 374.504 2.837 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001085295699 999313046 /nfs/dbraw/zinc/31/30/46/999313046.db2.gz UQOJWBQLDKLMAN-RTBURBONSA-N 1 3 358.530 2.781 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CNCCOc2ccc3ccccc3c2)cnn1C ZINC000903922814 1016307347 /nfs/dbraw/zinc/30/73/47/1016307347.db2.gz FJXAXPZHUWVVHB-QGZVFWFLSA-N 1 3 352.482 2.668 20 0 FFADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2ccccc2OC(F)(F)F)cnn1C ZINC000903922806 1016307667 /nfs/dbraw/zinc/30/76/67/1016307667.db2.gz FFJCPCWMYZNMHO-AWEZNQCLSA-N 1 3 370.419 2.577 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001085332309 999378513 /nfs/dbraw/zinc/37/85/13/999378513.db2.gz SBCVHMJBZJJSNJ-NIKGAXFTSA-N 1 3 365.468 2.824 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2OC2CC2)C1 ZINC001085422531 999497307 /nfs/dbraw/zinc/49/73/07/999497307.db2.gz WIVPPZMTUDIAAF-MISYRCLQSA-N 1 3 371.525 2.697 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2OC2CC2)C1 ZINC001085422531 999497308 /nfs/dbraw/zinc/49/73/08/999497308.db2.gz WIVPPZMTUDIAAF-MISYRCLQSA-N 1 3 371.525 2.697 20 0 FFADHO Cc1ccc(CCCN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001085605623 999587603 /nfs/dbraw/zinc/58/76/03/999587603.db2.gz OGUNAFKEILUYGK-HMXCVIKNSA-N 1 3 357.542 2.801 20 0 FFADHO Cc1ccc(CCCN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001085605623 999587607 /nfs/dbraw/zinc/58/76/07/999587607.db2.gz OGUNAFKEILUYGK-HMXCVIKNSA-N 1 3 357.542 2.801 20 0 FFADHO C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C[C@@]2(C)C1 ZINC001168933457 1000009750 /nfs/dbraw/zinc/00/97/50/1000009750.db2.gz YEKHPNDIXPMEEA-QIJUGHKUSA-N 1 3 373.516 2.838 20 0 FFADHO C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C[C@@]2(C)C1 ZINC001168933457 1000009753 /nfs/dbraw/zinc/00/97/53/1000009753.db2.gz YEKHPNDIXPMEEA-QIJUGHKUSA-N 1 3 373.516 2.838 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001169910059 1000085649 /nfs/dbraw/zinc/08/56/49/1000085649.db2.gz PGVGHCHVXZMEPA-NRFANRHFSA-N 1 3 373.541 2.599 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000846049749 1000197389 /nfs/dbraw/zinc/19/73/89/1000197389.db2.gz HHJUYCPFIPEMFJ-NHCUHLMSSA-N 1 3 372.557 2.742 20 0 FFADHO CN1CCN(CCCOc2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000846049749 1000197390 /nfs/dbraw/zinc/19/73/90/1000197390.db2.gz HHJUYCPFIPEMFJ-NHCUHLMSSA-N 1 3 372.557 2.742 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1)[NH+]1CCCCC1 ZINC001091673085 1001034915 /nfs/dbraw/zinc/03/49/15/1001034915.db2.gz YOSWRVSRASFZDS-QUHFKBAASA-N 1 3 353.938 2.784 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091738177 1001184248 /nfs/dbraw/zinc/18/42/48/1001184248.db2.gz RYHLMMNGLAPFNO-GIWBLDEGSA-N 1 3 369.553 2.658 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091738177 1001184252 /nfs/dbraw/zinc/18/42/52/1001184252.db2.gz RYHLMMNGLAPFNO-GIWBLDEGSA-N 1 3 369.553 2.658 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001110019390 1001322210 /nfs/dbraw/zinc/32/22/10/1001322210.db2.gz VBESYFZPAGSVMZ-GIVPXCGWSA-N 1 3 373.541 2.909 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1 ZINC001110019390 1001322216 /nfs/dbraw/zinc/32/22/16/1001322216.db2.gz VBESYFZPAGSVMZ-GIVPXCGWSA-N 1 3 373.541 2.909 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001112585836 1001536993 /nfs/dbraw/zinc/53/69/93/1001536993.db2.gz UHELNPUOPZUSJO-ZJOUEHCJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786810348 1001631276 /nfs/dbraw/zinc/63/12/76/1001631276.db2.gz UBNYQCHKHXLWLF-FGTMMUONSA-N 1 3 374.529 2.756 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@]3(C)C2)cc1 ZINC001091783277 1001910261 /nfs/dbraw/zinc/91/02/61/1001910261.db2.gz YDPWPJPLHISZTR-XPNTWCBSSA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@]3(C)C2)cc1 ZINC001091783277 1001910265 /nfs/dbraw/zinc/91/02/65/1001910265.db2.gz YDPWPJPLHISZTR-XPNTWCBSSA-N 1 3 371.569 2.912 20 0 FFADHO CC[N@H+](CCCC(=O)N1CCN2CCC1CC2)[C@H](C)Cc1ccc(O)cc1 ZINC001183049257 1002134965 /nfs/dbraw/zinc/13/49/65/1002134965.db2.gz ABRNGQFVXLJRBF-GOSISDBHSA-N 1 3 373.541 2.732 20 0 FFADHO CC[N@@H+](CCCC(=O)N1CCN2CCC1CC2)[C@H](C)Cc1ccc(O)cc1 ZINC001183049257 1002134970 /nfs/dbraw/zinc/13/49/70/1002134970.db2.gz ABRNGQFVXLJRBF-GOSISDBHSA-N 1 3 373.541 2.732 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1)[NH+](C)C ZINC001091984704 1002178082 /nfs/dbraw/zinc/17/80/82/1002178082.db2.gz AXGQGLQJBKDISG-QFUCXCTJSA-N 1 3 361.505 2.692 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001092010373 1002277361 /nfs/dbraw/zinc/27/73/61/1002277361.db2.gz CWNYIAHJKKSUGL-BLIXFSHQSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001092010373 1002277374 /nfs/dbraw/zinc/27/73/74/1002277374.db2.gz CWNYIAHJKKSUGL-BLIXFSHQSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CCCc1cccc(F)c1)C2 ZINC001092052875 1002327163 /nfs/dbraw/zinc/32/71/63/1002327163.db2.gz RAQLZGKKBOFTBS-UTKZUKDTSA-N 1 3 370.472 2.504 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CCCc1cccc(F)c1)C2 ZINC001092052875 1002327170 /nfs/dbraw/zinc/32/71/70/1002327170.db2.gz RAQLZGKKBOFTBS-UTKZUKDTSA-N 1 3 370.472 2.504 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC001092071384 1002369739 /nfs/dbraw/zinc/36/97/39/1002369739.db2.gz TWTOURIQSGRSPB-KNKQGSTJSA-N 1 3 370.541 2.626 20 0 FFADHO c1cc(CN2CCC(C[NH2+]CC3CCC4(CC3)OCCO4)CC2)ccn1 ZINC000827012486 1016624653 /nfs/dbraw/zinc/62/46/53/1016624653.db2.gz YEWBLDNYACWNAL-UHFFFAOYSA-N 1 3 359.514 2.817 20 0 FFADHO O=C(N[C@@H]1CN(CCCF)C[C@H]1c1ccccc1)C12CCC[NH+]1CCC2 ZINC001086597652 1002664453 /nfs/dbraw/zinc/66/44/53/1002664453.db2.gz ROFFMMILZSDQLO-RBUKOAKNSA-N 1 3 359.489 2.559 20 0 FFADHO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)c1 ZINC001096886362 1016677367 /nfs/dbraw/zinc/67/73/67/1016677367.db2.gz LBSSAZQYSOIKLM-AYWYSENESA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C3)c1 ZINC001096886362 1016677372 /nfs/dbraw/zinc/67/73/72/1016677372.db2.gz LBSSAZQYSOIKLM-AYWYSENESA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCN2C)C3)c1 ZINC001096886362 1016677374 /nfs/dbraw/zinc/67/73/74/1016677374.db2.gz LBSSAZQYSOIKLM-AYWYSENESA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCN2C)C3)c1 ZINC001096886362 1016677379 /nfs/dbraw/zinc/67/73/79/1016677379.db2.gz LBSSAZQYSOIKLM-AYWYSENESA-N 1 3 371.525 2.790 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3sccc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC001092620599 1003321476 /nfs/dbraw/zinc/32/14/76/1003321476.db2.gz QMVIHCSZPLBLOQ-KBUPBQIOSA-N 1 3 369.962 2.926 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3sccc3Cl)C[C@H]2C)CC[N@H+]1C ZINC001092620599 1003321485 /nfs/dbraw/zinc/32/14/85/1003321485.db2.gz QMVIHCSZPLBLOQ-KBUPBQIOSA-N 1 3 369.962 2.926 20 0 FFADHO CC(C)[C@@H]1CN(C[C@H](C)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001196134474 1003674264 /nfs/dbraw/zinc/67/42/64/1003674264.db2.gz SDIXDPXACHARPI-IRLDBZIGSA-N 1 3 359.558 2.797 20 0 FFADHO CC(C)[C@@H]1CN(C[C@H](C)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001196134474 1003674267 /nfs/dbraw/zinc/67/42/67/1003674267.db2.gz SDIXDPXACHARPI-IRLDBZIGSA-N 1 3 359.558 2.797 20 0 FFADHO C[C@H]1C[C@@H](CF)N(C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)C1 ZINC001157888401 1003790048 /nfs/dbraw/zinc/79/00/48/1003790048.db2.gz CVTRNJSSIHLARK-ZJDLJICXSA-N 1 3 373.516 2.695 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc3c(c2)nnn3C)cc1 ZINC001199328701 1004912071 /nfs/dbraw/zinc/91/20/71/1004912071.db2.gz DZLKJRQTKHDOSR-UHFFFAOYSA-N 1 3 367.497 2.979 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1)N1CCCC1 ZINC001488947420 1005383988 /nfs/dbraw/zinc/38/39/88/1005383988.db2.gz WIAHYLZILOEIMY-OTWHNJEPSA-N 1 3 365.562 2.695 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001488965671 1005387656 /nfs/dbraw/zinc/38/76/56/1005387656.db2.gz GGTHSLGRTGIQJB-ZWKOTPCHSA-N 1 3 358.461 2.805 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@@H+]1CCOCC(C)C ZINC001489135141 1005420621 /nfs/dbraw/zinc/42/06/21/1005420621.db2.gz PAQGNHJLFJLCCF-SLFFLAALSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@H+]1CCOCC(C)C ZINC001489135141 1005420622 /nfs/dbraw/zinc/42/06/22/1005420622.db2.gz PAQGNHJLFJLCCF-SLFFLAALSA-N 1 3 367.578 2.893 20 0 FFADHO CCOCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357276 1005810579 /nfs/dbraw/zinc/81/05/79/1005810579.db2.gz DAOZHAYNAIEUDH-OAQYLSRUSA-N 1 3 370.493 2.916 20 0 FFADHO CCOCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357276 1005810583 /nfs/dbraw/zinc/81/05/83/1005810583.db2.gz DAOZHAYNAIEUDH-OAQYLSRUSA-N 1 3 370.493 2.916 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000851665376 1005904521 /nfs/dbraw/zinc/90/45/21/1005904521.db2.gz ATEIYKQPIFXJBN-XLIONFOSSA-N 1 3 356.514 2.580 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000851665376 1005904523 /nfs/dbraw/zinc/90/45/23/1005904523.db2.gz ATEIYKQPIFXJBN-XLIONFOSSA-N 1 3 356.514 2.580 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085412 1017013375 /nfs/dbraw/zinc/01/33/75/1017013375.db2.gz FYEKXJFUWVIFNU-YSFYHYPLSA-N 1 3 367.537 2.812 20 0 FFADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000747974646 1006418363 /nfs/dbraw/zinc/41/83/63/1006418363.db2.gz FVVJNKWLIYURPV-MSOLQXFVSA-N 1 3 373.545 2.781 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189317217 1007019718 /nfs/dbraw/zinc/01/97/18/1007019718.db2.gz KDKVZWPBBMBJTD-SLFFLAALSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1ccc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C(C)C)N(C)C)C3)cc1 ZINC001110693793 1007035601 /nfs/dbraw/zinc/03/56/01/1007035601.db2.gz USYRWPHZRMCGED-CGXNFDGLSA-N 1 3 357.542 2.845 20 0 FFADHO Cc1ccc(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C(C)C)N(C)C)C3)cc1 ZINC001110693793 1007035610 /nfs/dbraw/zinc/03/56/10/1007035610.db2.gz USYRWPHZRMCGED-CGXNFDGLSA-N 1 3 357.542 2.845 20 0 FFADHO Cc1cnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn4cncc4c3)C2)o1 ZINC001086746889 1007088149 /nfs/dbraw/zinc/08/81/49/1007088149.db2.gz WQXYPQXJGMBXGP-HLLBOEOZSA-N 1 3 367.453 2.880 20 0 FFADHO C[C@]1(C[NH3+])CCCN(Cc2c[nH]c3ncc(Br)nc23)CC1 ZINC001206327120 1032230416 /nfs/dbraw/zinc/23/04/16/1032230416.db2.gz SQNRZEFSYRHHKO-HNNXBMFYSA-N 1 3 352.280 2.671 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCOC3CCCCCC3)C2)CC[N@@H+]1C ZINC001190238723 1007532940 /nfs/dbraw/zinc/53/29/40/1007532940.db2.gz OXBZFVSGOPOACC-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCOC3CCCCCC3)C2)CC[N@H+]1C ZINC001190238723 1007532945 /nfs/dbraw/zinc/53/29/45/1007532945.db2.gz OXBZFVSGOPOACC-QWFCFKBJSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCC[NH2+]1 ZINC000817949362 1007822713 /nfs/dbraw/zinc/82/27/13/1007822713.db2.gz JVKVMAOLXZFDQE-DLBZAZTESA-N 1 3 357.498 2.963 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001086820105 1007896217 /nfs/dbraw/zinc/89/62/17/1007896217.db2.gz PWRJBICUMGXZSJ-NSHGMRRFSA-N 1 3 358.530 2.719 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001086819867 1007908296 /nfs/dbraw/zinc/90/82/96/1007908296.db2.gz FFMZIZBQOOGVPP-LZLYRXPVSA-N 1 3 364.559 2.781 20 0 FFADHO C[N@H+](C[C@H](O)CNCC1(NC(=O)OC(C)(C)C)CCCCCC1)C1CC1 ZINC000818955059 1007993246 /nfs/dbraw/zinc/99/32/46/1007993246.db2.gz HJVIDYBHBKNZII-QGZVFWFLSA-N 1 3 369.550 2.649 20 0 FFADHO C[N@@H+](C[C@H](O)CNCC1(NC(=O)OC(C)(C)C)CCCCCC1)C1CC1 ZINC000818955059 1007993252 /nfs/dbraw/zinc/99/32/52/1007993252.db2.gz HJVIDYBHBKNZII-QGZVFWFLSA-N 1 3 369.550 2.649 20 0 FFADHO CN1CCN(CCC[NH2+][C@H]2CCCc3cn[nH]c32)[C@H](c2ccccc2)C1 ZINC000857846742 1008224098 /nfs/dbraw/zinc/22/40/98/1008224098.db2.gz GIHDGBZYLPCPQQ-PMACEKPBSA-N 1 3 353.514 2.756 20 0 FFADHO C[N@H+](CCOc1cccc(CNc2ccnc(CO)c2)c1)C1CCOCC1 ZINC000858388693 1008354243 /nfs/dbraw/zinc/35/42/43/1008354243.db2.gz GOGQWPLLCOCGMC-UHFFFAOYSA-N 1 3 371.481 2.676 20 0 FFADHO C[N@@H+](CCOc1cccc(CNc2ccnc(CO)c2)c1)C1CCOCC1 ZINC000858388693 1008354247 /nfs/dbraw/zinc/35/42/47/1008354247.db2.gz GOGQWPLLCOCGMC-UHFFFAOYSA-N 1 3 371.481 2.676 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000858590739 1008387659 /nfs/dbraw/zinc/38/76/59/1008387659.db2.gz MCYZHJQBAQCOQI-RCCFBDPRSA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000858590739 1008387663 /nfs/dbraw/zinc/38/76/63/1008387663.db2.gz MCYZHJQBAQCOQI-RCCFBDPRSA-N 1 3 369.550 2.722 20 0 FFADHO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886594471 1008763515 /nfs/dbraw/zinc/76/35/15/1008763515.db2.gz NDMJTTDAHNQNJD-HAGHYFMRSA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886594471 1008763522 /nfs/dbraw/zinc/76/35/22/1008763522.db2.gz NDMJTTDAHNQNJD-HAGHYFMRSA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886594471 1008763526 /nfs/dbraw/zinc/76/35/26/1008763526.db2.gz NDMJTTDAHNQNJD-HAGHYFMRSA-N 1 3 357.498 2.860 20 0 FFADHO CN1CCC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001136709731 1009029983 /nfs/dbraw/zinc/02/99/83/1009029983.db2.gz VIZDGEMNLKBCEV-WMZOPIPTSA-N 1 3 369.431 2.651 20 0 FFADHO CN1CCC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001136709731 1009029989 /nfs/dbraw/zinc/02/99/89/1009029989.db2.gz VIZDGEMNLKBCEV-WMZOPIPTSA-N 1 3 369.431 2.651 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277212 1009778722 /nfs/dbraw/zinc/77/87/22/1009778722.db2.gz SAZQNDQROCXRNT-BZSNNMDCSA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277212 1009778739 /nfs/dbraw/zinc/77/87/39/1009778739.db2.gz SAZQNDQROCXRNT-BZSNNMDCSA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000862277212 1009778755 /nfs/dbraw/zinc/77/87/55/1009778755.db2.gz SAZQNDQROCXRNT-BZSNNMDCSA-N 1 3 369.550 2.721 20 0 FFADHO C[NH+](C)[C@H]1CCCN(CCC2(NC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC001180873623 1009884099 /nfs/dbraw/zinc/88/40/99/1009884099.db2.gz UQTGOZJEKWHZGG-KRWDZBQOSA-N 1 3 369.550 2.867 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133199 1009971562 /nfs/dbraw/zinc/97/15/62/1009971562.db2.gz VRLPWSAFPNZHBR-NVXWUHKLSA-N 1 3 361.917 2.620 20 0 FFADHO CC(C)(C)OC(=O)NC/C=C\C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001181417534 1010090809 /nfs/dbraw/zinc/09/08/09/1010090809.db2.gz BADWZSOJQKHXLI-WAYWQWQTSA-N 1 3 367.534 2.690 20 0 FFADHO C[C@H](NC[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000794487893 1010115338 /nfs/dbraw/zinc/11/53/38/1010115338.db2.gz MSTLIEXLZNPIRZ-XYJFISCASA-N 1 3 369.550 2.505 20 0 FFADHO C[C@H](NC[C@H](O)CCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000794487893 1010115343 /nfs/dbraw/zinc/11/53/43/1010115343.db2.gz MSTLIEXLZNPIRZ-XYJFISCASA-N 1 3 369.550 2.505 20 0 FFADHO O=C(NCCN1CCC(Cc2ccccc2)CC1)C12CC[NH+](CC1)CC2 ZINC001181552741 1010147449 /nfs/dbraw/zinc/14/74/49/1010147449.db2.gz SXAYFUPIICTNLC-UHFFFAOYSA-N 1 3 355.526 2.543 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001095405207 1010452954 /nfs/dbraw/zinc/45/29/54/1010452954.db2.gz OQIDKTOAFPUEAA-ANULTFPQSA-N 1 3 355.526 2.823 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001095405207 1010452960 /nfs/dbraw/zinc/45/29/60/1010452960.db2.gz OQIDKTOAFPUEAA-ANULTFPQSA-N 1 3 355.526 2.823 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)n1 ZINC001093768149 1010539681 /nfs/dbraw/zinc/53/96/81/1010539681.db2.gz MFMDOBIGERLFAY-DJIMGWMZSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)n1 ZINC001093768149 1010539694 /nfs/dbraw/zinc/53/96/94/1010539694.db2.gz MFMDOBIGERLFAY-DJIMGWMZSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1F ZINC001093821150 1010592397 /nfs/dbraw/zinc/59/23/97/1010592397.db2.gz SYKNZTIBHWZTEZ-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001093820201 1010592969 /nfs/dbraw/zinc/59/29/69/1010592969.db2.gz FJJUDPYTJKIDBF-VQIMIIECSA-N 1 3 368.525 2.836 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001093824218 1010595848 /nfs/dbraw/zinc/59/58/48/1010595848.db2.gz KXEBOZAYBLCODM-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c(C)c1 ZINC001093824397 1010597227 /nfs/dbraw/zinc/59/72/27/1010597227.db2.gz SVXMFTNWSLXYFL-DUXKGJEZSA-N 1 3 357.542 2.828 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1)N(C)C ZINC001093839759 1010610469 /nfs/dbraw/zinc/61/04/69/1010610469.db2.gz XRXVTVOWOTZOJX-AHRSYUTCSA-N 1 3 363.521 2.926 20 0 FFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1 ZINC001094041832 1010803855 /nfs/dbraw/zinc/80/38/55/1010803855.db2.gz GWMUPIJQAMWAOQ-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1F ZINC001094041002 1010803973 /nfs/dbraw/zinc/80/39/73/1010803973.db2.gz SNTLFVDKSDORLB-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1ccccc1F ZINC001094044043 1010807232 /nfs/dbraw/zinc/80/72/32/1010807232.db2.gz KDYGONYVILRWGD-SJLPKXTDSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001094074816 1010832892 /nfs/dbraw/zinc/83/28/92/1010832892.db2.gz MUQYHMCAORLMET-TZMCWYRMSA-N 1 3 364.852 2.629 20 0 FFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001094074843 1010834741 /nfs/dbraw/zinc/83/47/41/1010834741.db2.gz OWKCHCHCSSEQKZ-HUUCEWRRSA-N 1 3 360.889 2.798 20 0 FFADHO C[C@@H]1C[C@@H](NCc2ccnc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000865681734 1010840837 /nfs/dbraw/zinc/84/08/37/1010840837.db2.gz WRBZTMSRZQFRIV-XLIONFOSSA-N 1 3 362.481 2.805 20 0 FFADHO C[C@@H]1C[C@@H](NCc2ccnc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000865681734 1010840845 /nfs/dbraw/zinc/84/08/45/1010840845.db2.gz WRBZTMSRZQFRIV-XLIONFOSSA-N 1 3 362.481 2.805 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2 ZINC001094412348 1011096139 /nfs/dbraw/zinc/09/61/39/1011096139.db2.gz DLYNIAIVLSBRRJ-TUNNFDKTSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2 ZINC001094412348 1011096144 /nfs/dbraw/zinc/09/61/44/1011096144.db2.gz DLYNIAIVLSBRRJ-TUNNFDKTSA-N 1 3 370.541 2.815 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C/C=C\Cl)CC3)CC[N@@H+]1C ZINC001094421351 1011105542 /nfs/dbraw/zinc/10/55/42/1011105542.db2.gz UDLUIURLHYDUCM-XKRLQYPISA-N 1 3 353.938 2.830 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C/C=C\Cl)CC3)CC[N@H+]1C ZINC001094421351 1011105545 /nfs/dbraw/zinc/10/55/45/1011105545.db2.gz UDLUIURLHYDUCM-XKRLQYPISA-N 1 3 353.938 2.830 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)CC2)CC1 ZINC000868171881 1011190217 /nfs/dbraw/zinc/19/02/17/1011190217.db2.gz VTHVRKHOIUUUSK-LJQANCHMSA-N 1 3 372.513 2.687 20 0 FFADHO COC[C@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@@H]2COC)cc(OC)c1 ZINC000644995520 1011299825 /nfs/dbraw/zinc/29/98/25/1011299825.db2.gz CYGDLZMVDQKPER-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO COC[C@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@@H]2COC)cc(OC)c1 ZINC000644995520 1011299837 /nfs/dbraw/zinc/29/98/37/1011299837.db2.gz CYGDLZMVDQKPER-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO C[NH+]1C(C)(C)CC(NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171622109 1011405944 /nfs/dbraw/zinc/40/59/44/1011405944.db2.gz SRCOOKKYNBAVLW-HXUWFJFHSA-N 1 3 369.550 2.599 20 0 FFADHO CN1C(C)(C)CC([NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171622109 1011405952 /nfs/dbraw/zinc/40/59/52/1011405952.db2.gz SRCOOKKYNBAVLW-HXUWFJFHSA-N 1 3 369.550 2.599 20 0 FFADHO CN1C(C)(C)CC([N@@H+]2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)CC1(C)C ZINC001171638219 1011420816 /nfs/dbraw/zinc/42/08/16/1011420816.db2.gz XCMNSTJJIILDEM-NRFANRHFSA-N 1 3 371.529 2.557 20 0 FFADHO CN1C(C)(C)CC([N@H+]2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)CC1(C)C ZINC001171638219 1011420823 /nfs/dbraw/zinc/42/08/23/1011420823.db2.gz XCMNSTJJIILDEM-NRFANRHFSA-N 1 3 371.529 2.557 20 0 FFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001274418340 1011432367 /nfs/dbraw/zinc/43/23/67/1011432367.db2.gz BZAJPZUKVGTWNV-INIZCTEOSA-N 1 3 373.463 2.595 20 0 FFADHO CCC[NH+](CCC)CC(=O)N1CCC[C@@]2(C1)CN(C1CCCC1)CCO2 ZINC001274471170 1011458630 /nfs/dbraw/zinc/45/86/30/1011458630.db2.gz FZHZPKQEEOCXOJ-NRFANRHFSA-N 1 3 365.562 2.744 20 0 FFADHO COCCC1([NH3+])CCN([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171878085 1011496748 /nfs/dbraw/zinc/49/67/48/1011496748.db2.gz COHVUIJBWOGSDH-LJQANCHMSA-N 1 3 359.514 2.511 20 0 FFADHO C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)C2)C1 ZINC001274638855 1011552056 /nfs/dbraw/zinc/55/20/56/1011552056.db2.gz UKFJNHPUVCYNJP-QGZVFWFLSA-N 1 3 361.917 2.716 20 0 FFADHO C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)C2)C1 ZINC001274638855 1011552060 /nfs/dbraw/zinc/55/20/60/1011552060.db2.gz UKFJNHPUVCYNJP-QGZVFWFLSA-N 1 3 361.917 2.716 20 0 FFADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005435 1011562301 /nfs/dbraw/zinc/56/23/01/1011562301.db2.gz RBFJFLNRYMFTMH-GOSISDBHSA-N 1 3 361.917 2.829 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]31)C2 ZINC001172115916 1011647775 /nfs/dbraw/zinc/64/77/75/1011647775.db2.gz CCVALQHMOONGTI-SPZHGEQOSA-N 1 3 371.525 2.845 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]31)C2 ZINC001172115916 1011647779 /nfs/dbraw/zinc/64/77/79/1011647779.db2.gz CCVALQHMOONGTI-SPZHGEQOSA-N 1 3 371.525 2.845 20 0 FFADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172159646 1011673261 /nfs/dbraw/zinc/67/32/61/1011673261.db2.gz RLZWQBQTOHOXBP-QZTJIDSGSA-N 1 3 361.917 2.829 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([NH+]3CCC4(CCN(Cc5cccnc5)C4)CC3)CCN12 ZINC001172177429 1011684516 /nfs/dbraw/zinc/68/45/16/1011684516.db2.gz ITBZMFTWFDDRFD-WOJBJXKFSA-N 1 3 368.525 2.523 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]([NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172202002 1011688853 /nfs/dbraw/zinc/68/88/53/1011688853.db2.gz QAXJFBNAWABZEL-OAGGEKHMSA-N 1 3 363.527 2.630 20 0 FFADHO COCCCN1CCC([NH2+]CCSCc2ccc(CN(C)C)o2)CC1 ZINC001172243861 1011718380 /nfs/dbraw/zinc/71/83/80/1011718380.db2.gz UJBIFKKYSFYFAI-UHFFFAOYSA-N 1 3 369.575 2.665 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000646256258 1011820016 /nfs/dbraw/zinc/82/00/16/1011820016.db2.gz VMNVNDPIEKXGJS-LPHOPBHVSA-N 1 3 367.497 2.718 20 0 FFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275092878 1011920601 /nfs/dbraw/zinc/92/06/01/1011920601.db2.gz FALZEEGSEIPOQO-IFMALSPDSA-N 1 3 357.542 2.912 20 0 FFADHO CC(C)CC[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275092878 1011920609 /nfs/dbraw/zinc/92/06/09/1011920609.db2.gz FALZEEGSEIPOQO-IFMALSPDSA-N 1 3 357.542 2.912 20 0 FFADHO COc1ccsc1CN1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001275096946 1011931892 /nfs/dbraw/zinc/93/18/92/1011931892.db2.gz GVBIVDYGVVPSDC-UHFFFAOYSA-N 1 3 365.543 2.523 20 0 FFADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172886954 1012088251 /nfs/dbraw/zinc/08/82/51/1012088251.db2.gz UWNPZZNHPRAMJG-QGZVFWFLSA-N 1 3 353.551 2.647 20 0 FFADHO Cc1cccc2c(CN3CCC[C@@]34CCN(CC[NH+](C)C)C4=O)c[nH]c21 ZINC001275356528 1012357542 /nfs/dbraw/zinc/35/75/42/1012357542.db2.gz JHZVQQABHKBQPV-NRFANRHFSA-N 1 3 354.498 2.605 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(O)cc3OC)CC2)CC1 ZINC000923621880 1012531700 /nfs/dbraw/zinc/53/17/00/1012531700.db2.gz ASRRTQRALRRCAH-UHFFFAOYSA-N 1 3 361.486 2.536 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N[C@@H]1CCCc2ccccc21 ZINC000647975183 1012652089 /nfs/dbraw/zinc/65/20/89/1012652089.db2.gz PBCXDRUBCDKLQX-IRFCIJBXSA-N 1 3 355.526 2.892 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000870958245 1012652457 /nfs/dbraw/zinc/65/24/57/1012652457.db2.gz NQUGFDQFBYZMFO-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO CCN(CC)C(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)cc1 ZINC000924618568 1017378882 /nfs/dbraw/zinc/37/88/82/1017378882.db2.gz DSMUNQPXFPRUKH-SEJPIABJSA-N 1 3 373.541 2.900 20 0 FFADHO COc1ccccc1[C@H](NC1CC[NH+](CCN(C)C)CC1)c1ccccn1 ZINC000924631364 1017385841 /nfs/dbraw/zinc/38/58/41/1017385841.db2.gz HIGGPCYJTZCFBI-QFIPXVFZSA-N 1 3 368.525 2.795 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001097406022 1017465290 /nfs/dbraw/zinc/46/52/90/1017465290.db2.gz UGCRRJOYPYODGK-BDXSIMOUSA-N 1 3 369.500 2.874 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001097406022 1017465296 /nfs/dbraw/zinc/46/52/96/1017465296.db2.gz UGCRRJOYPYODGK-BDXSIMOUSA-N 1 3 369.500 2.874 20 0 FFADHO c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CNCCOC3)cc2)cn1 ZINC000925494779 1017769224 /nfs/dbraw/zinc/76/92/24/1017769224.db2.gz VOPKMNSXNQTIOR-OAQYLSRUSA-N 1 3 362.477 2.676 20 0 FFADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925552358 1017782999 /nfs/dbraw/zinc/78/29/99/1017782999.db2.gz JVJZTAQHQFANCS-BHDDXSALSA-N 1 3 369.553 2.978 20 0 FFADHO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000927144710 1018381265 /nfs/dbraw/zinc/38/12/65/1018381265.db2.gz IMOIXFVZYQLBAU-MTQWCTHYSA-N 1 3 365.525 2.563 20 0 FFADHO Oc1ccc(Oc2cccc(CN3CCNC4(CC[NH2+]CC4)C3)c2)cc1 ZINC001222110120 1032764455 /nfs/dbraw/zinc/76/44/55/1032764455.db2.gz XYYKLJNKOYKITJ-UHFFFAOYSA-N 1 3 353.466 2.712 20 0 FFADHO C[N@H+](C[C@H]1OCCc2ccccc21)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711995 1018573587 /nfs/dbraw/zinc/57/35/87/1018573587.db2.gz WSAPALWXJCSUIH-PKTZIBPZSA-N 1 3 366.505 2.869 20 0 FFADHO C[N@@H+](C[C@H]1OCCc2ccccc21)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711995 1018573588 /nfs/dbraw/zinc/57/35/88/1018573588.db2.gz WSAPALWXJCSUIH-PKTZIBPZSA-N 1 3 366.505 2.869 20 0 FFADHO Cc1ccccc1OCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961642 1019276771 /nfs/dbraw/zinc/27/67/71/1019276771.db2.gz CHEVXMSNUMDFSM-AQNXPRMDSA-N 1 3 373.541 2.827 20 0 FFADHO CC(C)c1cccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001045044267 1019798773 /nfs/dbraw/zinc/79/87/73/1019798773.db2.gz ZIUCSJGWZFSPPF-NZSAHSFTSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)c1cccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001045044267 1019798790 /nfs/dbraw/zinc/79/87/90/1019798790.db2.gz ZIUCSJGWZFSPPF-NZSAHSFTSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000930194467 1019915034 /nfs/dbraw/zinc/91/50/34/1019915034.db2.gz YXNBVYKXUFQKMW-MOPGFXCFSA-N 1 3 371.525 2.964 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000930194473 1019915224 /nfs/dbraw/zinc/91/52/24/1019915224.db2.gz YXNBVYKXUFQKMW-RTBURBONSA-N 1 3 371.525 2.964 20 0 FFADHO CNc1ccc(C)cc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000902256289 1020019483 /nfs/dbraw/zinc/01/94/83/1020019483.db2.gz GVHVCGBGZAFYND-UHFFFAOYSA-N 1 3 354.498 2.618 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@H](O)[C@H](CO)C1)c1ccccc1 ZINC000930736324 1020156175 /nfs/dbraw/zinc/15/61/75/1020156175.db2.gz ISFPAUUOUUKTBE-VJBWXMMDSA-N 1 3 368.521 2.577 20 0 FFADHO CN(Cc1ccccc1)C[C@H](C[N@H+]1CC[C@H](O)[C@H](CO)C1)c1ccccc1 ZINC000930736324 1020156179 /nfs/dbraw/zinc/15/61/79/1020156179.db2.gz ISFPAUUOUUKTBE-VJBWXMMDSA-N 1 3 368.521 2.577 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1 ZINC001096351066 1020192532 /nfs/dbraw/zinc/19/25/32/1020192532.db2.gz ZTVHCESEJXGTJT-CGXNFDGLSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001096351066 1020192539 /nfs/dbraw/zinc/19/25/39/1020192539.db2.gz ZTVHCESEJXGTJT-CGXNFDGLSA-N 1 3 355.526 2.812 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1cccc(F)c1)C12CC[NH+](CC1)C2 ZINC001096356658 1020207904 /nfs/dbraw/zinc/20/79/04/1020207904.db2.gz WGQYDGILDKPPGM-AABGKKOBSA-N 1 3 371.500 2.576 20 0 FFADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900613525 1020546558 /nfs/dbraw/zinc/54/65/58/1020546558.db2.gz VSILVYCNBOQYED-UHFFFAOYSA-N 1 3 365.481 2.890 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1C ZINC001098223223 1020744825 /nfs/dbraw/zinc/74/48/25/1020744825.db2.gz BAUHWGFZDBYTDM-AQNXPRMDSA-N 1 3 353.510 2.621 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000932788342 1020902315 /nfs/dbraw/zinc/90/23/15/1020902315.db2.gz JHPCWQMODBRQKK-UYAOXDASSA-N 1 3 373.541 2.875 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000932788340 1020902346 /nfs/dbraw/zinc/90/23/46/1020902346.db2.gz JHPCWQMODBRQKK-ICSRJNTNSA-N 1 3 373.541 2.875 20 0 FFADHO C[C@@H]1Cc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2O1 ZINC000933150491 1020966050 /nfs/dbraw/zinc/96/60/50/1020966050.db2.gz VJHYZCKRWAKZCG-OAHLLOKOSA-N 1 3 372.513 2.690 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(F)cc2)C3)CC[N@@H+]1C ZINC001098844231 1021227204 /nfs/dbraw/zinc/22/72/04/1021227204.db2.gz SETMNAFPHUEHEE-GRVMKYMCSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2ccc(F)cc2)C3)CC[N@H+]1C ZINC001098844231 1021227209 /nfs/dbraw/zinc/22/72/09/1021227209.db2.gz SETMNAFPHUEHEE-GRVMKYMCSA-N 1 3 359.489 2.637 20 0 FFADHO CC(C)[NH+]1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000145495753 1021504048 /nfs/dbraw/zinc/50/40/48/1021504048.db2.gz FEAXIIYEURAQTB-UHFFFAOYSA-N 1 3 374.598 2.988 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001099120053 1021856348 /nfs/dbraw/zinc/85/63/48/1021856348.db2.gz YUNCDSUZIXDSPI-IPJJNNNSSA-N 1 3 371.525 2.508 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001099120053 1021856359 /nfs/dbraw/zinc/85/63/59/1021856359.db2.gz YUNCDSUZIXDSPI-IPJJNNNSSA-N 1 3 371.525 2.508 20 0 FFADHO C[NH2+][C@H](C)CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001117966231 1021996987 /nfs/dbraw/zinc/99/69/87/1021996987.db2.gz DRSSVAMFXGJJRY-HZPDHXFCSA-N 1 3 352.548 2.818 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(Cc2ncccc2C)CC3)CC[N@@H+]1C ZINC001016630158 1022058997 /nfs/dbraw/zinc/05/89/97/1022058997.db2.gz BZVFEWNBFDEICB-DFQSSKMNSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(Cc2ncccc2C)CC3)CC[N@H+]1C ZINC001016630158 1022059003 /nfs/dbraw/zinc/05/90/03/1022059003.db2.gz BZVFEWNBFDEICB-DFQSSKMNSA-N 1 3 370.541 2.591 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccn(C2CCCCC2)n1 ZINC001118570708 1022294693 /nfs/dbraw/zinc/29/46/93/1022294693.db2.gz SEGYHCRVNQZGMS-INIZCTEOSA-N 1 3 364.538 2.782 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccn(C2CCCCC2)n1 ZINC001118570708 1022294708 /nfs/dbraw/zinc/29/47/08/1022294708.db2.gz SEGYHCRVNQZGMS-INIZCTEOSA-N 1 3 364.538 2.782 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C(F)(F)F ZINC001099345730 1022337548 /nfs/dbraw/zinc/33/75/48/1022337548.db2.gz QQGDHALLABHVHE-HZPDHXFCSA-N 1 3 357.420 2.751 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2scnc2C)C1)N(C)C ZINC001099497084 1022630942 /nfs/dbraw/zinc/63/09/42/1022630942.db2.gz QFPBYMGJLJUTIC-BXWFABGCSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001099497078 1022633226 /nfs/dbraw/zinc/63/32/26/1022633226.db2.gz RKDYMIXUGLFZCZ-IEZWGBDMSA-N 1 3 369.500 2.734 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001099505941 1022646535 /nfs/dbraw/zinc/64/65/35/1022646535.db2.gz IVQCLDFUAQZNAK-JXFKEZNVSA-N 1 3 356.445 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001039595265 1022770738 /nfs/dbraw/zinc/77/07/38/1022770738.db2.gz JAFXJXPPBGOMQK-RSPOEFSDSA-N 1 3 359.558 2.972 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001039595265 1022770750 /nfs/dbraw/zinc/77/07/50/1022770750.db2.gz JAFXJXPPBGOMQK-RSPOEFSDSA-N 1 3 359.558 2.972 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC ZINC001111262606 1022798251 /nfs/dbraw/zinc/79/82/51/1022798251.db2.gz ZGKATGSUKPAVMQ-YSTOQKLRSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCC ZINC001111262606 1022798259 /nfs/dbraw/zinc/79/82/59/1022798259.db2.gz ZGKATGSUKPAVMQ-YSTOQKLRSA-N 1 3 365.562 2.789 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3)CC[N@@H+]1C ZINC001040211174 1022804567 /nfs/dbraw/zinc/80/45/67/1022804567.db2.gz USWHHWGTSORQQY-VWPQPMDRSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3)CC[N@H+]1C ZINC001040211174 1022804577 /nfs/dbraw/zinc/80/45/77/1022804577.db2.gz USWHHWGTSORQQY-VWPQPMDRSA-N 1 3 370.541 2.626 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656461 1033094033 /nfs/dbraw/zinc/09/40/33/1033094033.db2.gz IHOIXKRNZQIOBK-AQNXPRMDSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656461 1033094040 /nfs/dbraw/zinc/09/40/40/1033094040.db2.gz IHOIXKRNZQIOBK-AQNXPRMDSA-N 1 3 365.562 2.597 20 0 FFADHO N[C@@H](CC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccccc1 ZINC001122224955 1023126506 /nfs/dbraw/zinc/12/65/06/1023126506.db2.gz SKDNXVGIABNPOA-OALUTQOASA-N 1 3 365.477 2.839 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001120476199 1023335733 /nfs/dbraw/zinc/33/57/33/1023335733.db2.gz UPGUJEIKLKLTPU-INIZCTEOSA-N 1 3 362.543 2.716 20 0 FFADHO C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCc1ccccc1 ZINC001111296324 1023636141 /nfs/dbraw/zinc/63/61/41/1023636141.db2.gz GCPIDURIYBUWQO-NJYVYQBISA-N 1 3 373.541 2.657 20 0 FFADHO C[C@@H](CCO)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000779341722 1023703521 /nfs/dbraw/zinc/70/35/21/1023703521.db2.gz KPAWXAJHLHYAHF-INIZCTEOSA-N 1 3 373.463 2.968 20 0 FFADHO CSCC[C@H]([NH3+])CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001121915624 1024165682 /nfs/dbraw/zinc/16/56/82/1024165682.db2.gz ITPUCTYIUUCACE-INIZCTEOSA-N 1 3 367.584 2.687 20 0 FFADHO CC(C)CC[C@H](N)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001122193185 1024421457 /nfs/dbraw/zinc/42/14/57/1024421457.db2.gz PGXCXOIUDXQYMX-IBGZPJMESA-N 1 3 361.530 2.547 20 0 FFADHO CC(C)CC[C@H](N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001122193185 1024421465 /nfs/dbraw/zinc/42/14/65/1024421465.db2.gz PGXCXOIUDXQYMX-IBGZPJMESA-N 1 3 361.530 2.547 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CC/C=C/c1ccccc1)C2 ZINC001101375137 1024577222 /nfs/dbraw/zinc/57/72/22/1024577222.db2.gz DDWDQSXESYQSEF-RHFIJHTGSA-N 1 3 364.493 2.836 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CC/C=C/c1ccccc1)C2 ZINC001101375137 1024577228 /nfs/dbraw/zinc/57/72/28/1024577228.db2.gz DDWDQSXESYQSEF-RHFIJHTGSA-N 1 3 364.493 2.836 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@]2(C)C1 ZINC001101398085 1024632604 /nfs/dbraw/zinc/63/26/04/1024632604.db2.gz XAOGPMBSQVRQLG-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@]2(C)C1 ZINC001101398085 1024632605 /nfs/dbraw/zinc/63/26/05/1024632605.db2.gz XAOGPMBSQVRQLG-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)cc3C)C[C@@]2(C)C1 ZINC001101400195 1024637630 /nfs/dbraw/zinc/63/76/30/1024637630.db2.gz LBBMKKONSNJCQB-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@@]2(C)C1 ZINC001101400195 1024637635 /nfs/dbraw/zinc/63/76/35/1024637635.db2.gz LBBMKKONSNJCQB-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473194 1024836103 /nfs/dbraw/zinc/83/61/03/1024836103.db2.gz KBELDHQTUXZHOE-KNQAVFIVSA-N 1 3 370.541 2.546 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1C ZINC001101478655 1024850456 /nfs/dbraw/zinc/85/04/56/1024850456.db2.gz YVSZXKXVQUZEEX-IRLDBZIGSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)cc1C ZINC001101478655 1024850464 /nfs/dbraw/zinc/85/04/64/1024850464.db2.gz YVSZXKXVQUZEEX-IRLDBZIGSA-N 1 3 357.542 2.924 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046331 1025351059 /nfs/dbraw/zinc/35/10/59/1025351059.db2.gz YTZIBRCEXMGJQQ-VQIMIIECSA-N 1 3 368.525 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046331 1025351073 /nfs/dbraw/zinc/35/10/73/1025351073.db2.gz YTZIBRCEXMGJQQ-VQIMIIECSA-N 1 3 368.525 2.836 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001102104456 1025430556 /nfs/dbraw/zinc/43/05/56/1025430556.db2.gz XEIJYGBIKTWWKH-UYAOXDASSA-N 1 3 359.558 2.952 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001102104456 1025430566 /nfs/dbraw/zinc/43/05/66/1025430566.db2.gz XEIJYGBIKTWWKH-UYAOXDASSA-N 1 3 359.558 2.952 20 0 FFADHO O=C(Nc1cn(Cc2ccccc2)c2ccccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218693779 1033286908 /nfs/dbraw/zinc/28/69/08/1033286908.db2.gz JXUZQKXTKZDUFO-WZONZLPQSA-N 1 3 374.488 2.827 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000637719237 1025546176 /nfs/dbraw/zinc/54/61/76/1025546176.db2.gz LORIEHDCPAUBPR-RXVVDRJESA-N 1 3 372.557 2.941 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000638268795 1025759481 /nfs/dbraw/zinc/75/94/81/1025759481.db2.gz SBXMVZCJBANNSN-AZUAARDMSA-N 1 3 358.530 2.730 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1C)[NH+](CC)CC ZINC001102356277 1025796274 /nfs/dbraw/zinc/79/62/74/1025796274.db2.gz CQPTZPFDMXYUNG-KYJSFNMBSA-N 1 3 366.575 2.756 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366898 1025820565 /nfs/dbraw/zinc/82/05/65/1025820565.db2.gz UFDVAQJFLZMCIU-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366898 1025820577 /nfs/dbraw/zinc/82/05/77/1025820577.db2.gz UFDVAQJFLZMCIU-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1 ZINC001102368264 1025824038 /nfs/dbraw/zinc/82/40/38/1025824038.db2.gz NETCCCKTOAAHFM-XQBPLPMBSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1 ZINC001102368264 1025824054 /nfs/dbraw/zinc/82/40/54/1025824054.db2.gz NETCCCKTOAAHFM-XQBPLPMBSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638739438 1025982927 /nfs/dbraw/zinc/98/29/27/1025982927.db2.gz SATHFOXFKPGLMI-RTBURBONSA-N 1 3 373.585 2.968 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCOCCCC)C[C@H]1C ZINC001102472174 1026038760 /nfs/dbraw/zinc/03/87/60/1026038760.db2.gz MBINYHCDDZCUTO-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCOCCCC)C[C@H]1C ZINC001102472174 1026038772 /nfs/dbraw/zinc/03/87/72/1026038772.db2.gz MBINYHCDDZCUTO-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001102525319 1026215717 /nfs/dbraw/zinc/21/57/17/1026215717.db2.gz WMBMQEOTWFKVRL-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001102525319 1026215726 /nfs/dbraw/zinc/21/57/26/1026215726.db2.gz WMBMQEOTWFKVRL-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102531919 1026243987 /nfs/dbraw/zinc/24/39/87/1026243987.db2.gz LTHYQNUJXKUPCH-FVQBIDKESA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102531919 1026243998 /nfs/dbraw/zinc/24/39/98/1026243998.db2.gz LTHYQNUJXKUPCH-FVQBIDKESA-N 1 3 368.472 2.770 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531837 1026244057 /nfs/dbraw/zinc/24/40/57/1026244057.db2.gz IFMLYADTIZNFLM-OXQOHEQNSA-N 1 3 368.525 2.750 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531837 1026244068 /nfs/dbraw/zinc/24/40/68/1026244068.db2.gz IFMLYADTIZNFLM-OXQOHEQNSA-N 1 3 368.525 2.750 20 0 FFADHO COc1cc(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)ccn1 ZINC000639311597 1026276482 /nfs/dbraw/zinc/27/64/82/1026276482.db2.gz OOXTZSPYMPDUGS-KRWDZBQOSA-N 1 3 354.498 2.918 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@H](C)C2)sn1 ZINC001102599122 1026397225 /nfs/dbraw/zinc/39/72/25/1026397225.db2.gz QILVHPXIIQWIHO-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1C ZINC001102600584 1026400980 /nfs/dbraw/zinc/40/09/80/1026400980.db2.gz LJOCTDCDECDRJD-HZPDHXFCSA-N 1 3 367.484 2.532 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1C ZINC001102600584 1026400981 /nfs/dbraw/zinc/40/09/81/1026400981.db2.gz LJOCTDCDECDRJD-HZPDHXFCSA-N 1 3 367.484 2.532 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001102601441 1026402946 /nfs/dbraw/zinc/40/29/46/1026402946.db2.gz CWERHHIUZCDVJS-NVXWUHKLSA-N 1 3 367.484 2.532 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001102601441 1026402947 /nfs/dbraw/zinc/40/29/47/1026402947.db2.gz CWERHHIUZCDVJS-NVXWUHKLSA-N 1 3 367.484 2.532 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C)[NH+]1CCCCC1 ZINC001102601602 1026403492 /nfs/dbraw/zinc/40/34/92/1026403492.db2.gz JKYNXRRSPLFFQE-PUSMVSPTSA-N 1 3 355.954 2.934 20 0 FFADHO CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639682832 1026432523 /nfs/dbraw/zinc/43/25/23/1026432523.db2.gz APIMPXASGCXHIS-SFHVURJKSA-N 1 3 358.530 2.878 20 0 FFADHO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639682832 1026432525 /nfs/dbraw/zinc/43/25/25/1026432525.db2.gz APIMPXASGCXHIS-SFHVURJKSA-N 1 3 358.530 2.878 20 0 FFADHO COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758184 1026458920 /nfs/dbraw/zinc/45/89/20/1026458920.db2.gz PXWGOUDKAHEKSX-QGZVFWFLSA-N 1 3 359.514 2.632 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103086422 1026947143 /nfs/dbraw/zinc/94/71/43/1026947143.db2.gz BEBPCQNAEHYVBL-ZTNFWEORSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103086422 1026947146 /nfs/dbraw/zinc/94/71/46/1026947146.db2.gz BEBPCQNAEHYVBL-ZTNFWEORSA-N 1 3 361.505 2.740 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C3CCC3)C2)s1 ZINC001103089887 1026953060 /nfs/dbraw/zinc/95/30/60/1026953060.db2.gz DXLAGNIEXPPSAI-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C3CCC3)C2)s1 ZINC001103089887 1026953062 /nfs/dbraw/zinc/95/30/62/1026953062.db2.gz DXLAGNIEXPPSAI-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO O=C(c1csc2c1CCNC2)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158564535 1027062133 /nfs/dbraw/zinc/06/21/33/1027062133.db2.gz JJGQLAYGSCKUOL-NQIIRXRSSA-N 1 3 367.518 2.613 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)c1ccc(Cl)cc1Cl ZINC001158579273 1027066750 /nfs/dbraw/zinc/06/67/50/1027066750.db2.gz QSPNVOPTCTUODZ-PSOPSSQASA-N 1 3 374.287 2.919 20 0 FFADHO CN1CCC(N([C@H](F)Oc2ccc(Cl)nc2)C2CC[NH2+]CC2)CC1 ZINC001158581398 1027066790 /nfs/dbraw/zinc/06/67/90/1027066790.db2.gz QYFVCTYCYOSZRQ-KRWDZBQOSA-N 1 3 356.873 2.515 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCc3cccnc3N3CCCC3)n2)CC1 ZINC001158874190 1027168914 /nfs/dbraw/zinc/16/89/14/1027168914.db2.gz HNOGXRPGJXISBE-UHFFFAOYSA-N 1 3 352.486 2.616 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001159259479 1027328464 /nfs/dbraw/zinc/32/84/64/1027328464.db2.gz YKRYVRVQLDETAJ-URVUXULASA-N 1 3 373.541 2.611 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)sn1 ZINC001103408424 1027420409 /nfs/dbraw/zinc/42/04/09/1027420409.db2.gz ASEKOVBEUWRCKY-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)sn1 ZINC001103408424 1027420414 /nfs/dbraw/zinc/42/04/14/1027420414.db2.gz ASEKOVBEUWRCKY-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO C[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433823 1027475524 /nfs/dbraw/zinc/47/55/24/1027475524.db2.gz NUMQVUVDMGMGSS-QLFBSQMISA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433823 1027475534 /nfs/dbraw/zinc/47/55/34/1027475534.db2.gz NUMQVUVDMGMGSS-QLFBSQMISA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103437373 1027486018 /nfs/dbraw/zinc/48/60/18/1027486018.db2.gz VQJSHVYEDRGOOW-MBOZVWFJSA-N 1 3 355.542 2.929 20 0 FFADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103437373 1027486025 /nfs/dbraw/zinc/48/60/25/1027486025.db2.gz VQJSHVYEDRGOOW-MBOZVWFJSA-N 1 3 355.542 2.929 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001159788546 1027499142 /nfs/dbraw/zinc/49/91/42/1027499142.db2.gz KKTAJALVDTUHAU-OAHLLOKOSA-N 1 3 356.804 2.944 20 0 FFADHO c1cc(O[C@@H]2CCC[NH2+]C2)ccc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001159954287 1027544000 /nfs/dbraw/zinc/54/40/00/1027544000.db2.gz RZOLMFMEJOGVKM-TZIWHRDSSA-N 1 3 357.498 2.998 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103550626 1027665713 /nfs/dbraw/zinc/66/57/13/1027665713.db2.gz ZMXHIFBBBITVFR-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103550626 1027665719 /nfs/dbraw/zinc/66/57/19/1027665719.db2.gz ZMXHIFBBBITVFR-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001160711618 1027818247 /nfs/dbraw/zinc/81/82/47/1027818247.db2.gz SFHPCMSNVPOBSO-KRWDZBQOSA-N 1 3 360.477 2.687 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)Cc2ccc(C)nc2C)CC[N@@H+]1C ZINC001153501402 1027909287 /nfs/dbraw/zinc/90/92/87/1027909287.db2.gz MZHJKASWAKVXFX-LSTHTHJFSA-N 1 3 360.546 2.755 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)Cc2ccc(C)nc2C)CC[N@H+]1C ZINC001153501402 1027909301 /nfs/dbraw/zinc/90/93/01/1027909301.db2.gz MZHJKASWAKVXFX-LSTHTHJFSA-N 1 3 360.546 2.755 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001103663660 1027922112 /nfs/dbraw/zinc/92/21/12/1027922112.db2.gz MPTGWIIYFDQKSX-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001103663660 1027922124 /nfs/dbraw/zinc/92/21/24/1027922124.db2.gz MPTGWIIYFDQKSX-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001160958014 1027946341 /nfs/dbraw/zinc/94/63/41/1027946341.db2.gz UDABPWWMCJFONU-UXHICEINSA-N 1 3 373.541 2.898 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001103677319 1027960155 /nfs/dbraw/zinc/96/01/55/1027960155.db2.gz WVQQFIJILYJIFE-GDBMZVCRSA-N 1 3 360.527 2.639 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001103677319 1027960167 /nfs/dbraw/zinc/96/01/67/1027960167.db2.gz WVQQFIJILYJIFE-GDBMZVCRSA-N 1 3 360.527 2.639 20 0 FFADHO CO[C@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1)C1CCCC1 ZINC001103755634 1028145835 /nfs/dbraw/zinc/14/58/35/1028145835.db2.gz NMTKRCUTTYERFA-MISYRCLQSA-N 1 3 367.578 2.606 20 0 FFADHO CO[C@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1)C1CCCC1 ZINC001103755634 1028145844 /nfs/dbraw/zinc/14/58/44/1028145844.db2.gz NMTKRCUTTYERFA-MISYRCLQSA-N 1 3 367.578 2.606 20 0 FFADHO O=C([C@H]1CC[C@H](C(F)(F)F)CN1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424833 1028164819 /nfs/dbraw/zinc/16/48/19/1028164819.db2.gz OFBMYZUSVNUGQM-DOTOQJQBSA-N 1 3 369.431 2.698 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)c(C)c1 ZINC001161424214 1028164865 /nfs/dbraw/zinc/16/48/65/1028164865.db2.gz CEZMKDPLFHKCQW-QFIPXVFZSA-N 1 3 365.521 2.954 20 0 FFADHO Cc1cnc2c(ccc(Cl)c2C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c1 ZINC001161452487 1028184172 /nfs/dbraw/zinc/18/41/72/1028184172.db2.gz SGYVCFBDQBZFDG-INIZCTEOSA-N 1 3 374.916 2.952 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)ccc1CN1CCCC1 ZINC001163126670 1028812510 /nfs/dbraw/zinc/81/25/10/1028812510.db2.gz UXAOXFSBKODNGZ-UHFFFAOYSA-N 1 3 352.914 2.609 20 0 FFADHO CC[NH+](CC)CCNC(=N)Nc1nc(-c2cccnc2)nc2ccccc21 ZINC001163129409 1028812738 /nfs/dbraw/zinc/81/27/38/1028812738.db2.gz WSVUFSCSWBXEIN-UHFFFAOYSA-N 1 3 363.469 2.970 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(C(=O)OCc2ccccc2)cn1 ZINC001163129407 1028813007 /nfs/dbraw/zinc/81/30/07/1028813007.db2.gz WPEUAQXIRHZPCG-UHFFFAOYSA-N 1 3 369.469 2.717 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001163128866 1028814051 /nfs/dbraw/zinc/81/40/51/1028814051.db2.gz PZXXBZPOTAEAGK-UHFFFAOYSA-N 1 3 350.467 2.707 20 0 FFADHO CC[NH+](CC)CCNC(=N)NC(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001163128944 1028814193 /nfs/dbraw/zinc/81/41/93/1028814193.db2.gz DQJFVUINTZMLTO-UHFFFAOYSA-N 1 3 359.852 2.815 20 0 FFADHO CCN(CC)CCNC(=[NH2+])NC(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001163128944 1028814209 /nfs/dbraw/zinc/81/42/09/1028814209.db2.gz DQJFVUINTZMLTO-UHFFFAOYSA-N 1 3 359.852 2.815 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(COC4CCC4)cn3)CC2)CC1 ZINC001157847618 1029675135 /nfs/dbraw/zinc/67/51/35/1029675135.db2.gz CZJLFIUWMMRXMC-UHFFFAOYSA-N 1 3 358.530 2.615 20 0 FFADHO O=C(c1csc([C@@H]2CCCN2)n1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158037394 1029714002 /nfs/dbraw/zinc/71/40/02/1029714002.db2.gz CVBIXCRIYKPXQB-HNAYVOBHSA-N 1 3 362.543 2.954 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC2)C1 ZINC001158267008 1029778790 /nfs/dbraw/zinc/77/87/90/1029778790.db2.gz HASPUUKBDCYQMU-CYBMUJFWSA-N 1 3 370.888 2.766 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC2)C1 ZINC001158267008 1029778794 /nfs/dbraw/zinc/77/87/94/1029778794.db2.gz HASPUUKBDCYQMU-CYBMUJFWSA-N 1 3 370.888 2.766 20 0 FFADHO COc1cc(N(c2ccc(CN3CCCC3)cn2)C2CC[NH2+]CC2)ccn1 ZINC001158333684 1029800023 /nfs/dbraw/zinc/80/00/23/1029800023.db2.gz KMDGEFZSMZAZNG-UHFFFAOYSA-N 1 3 367.497 2.971 20 0 FFADHO CCOCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000782966336 1029867145 /nfs/dbraw/zinc/86/71/45/1029867145.db2.gz LQKOBBZDOWLZAL-LEWJYISDSA-N 1 3 362.514 2.917 20 0 FFADHO CCOCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000782966346 1029867289 /nfs/dbraw/zinc/86/72/89/1029867289.db2.gz LQKOBBZDOWLZAL-RTWAWAEBSA-N 1 3 362.514 2.917 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCC2)C1 ZINC001112123737 1030054456 /nfs/dbraw/zinc/05/44/56/1030054456.db2.gz ZHZQVPIYBDZLHP-HUUCEWRRSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCCF)C1 ZINC001112166114 1030131803 /nfs/dbraw/zinc/13/18/03/1030131803.db2.gz FDYLJPDWUJQQAH-RRFJBIMHSA-N 1 3 367.431 2.589 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166074 1030131996 /nfs/dbraw/zinc/13/19/96/1030131996.db2.gz CLBSZYHMPXKEHI-BZUAXINKSA-N 1 3 363.468 2.743 20 0 FFADHO CN(CCCN(C)C(=O)Nc1cccc(OCC[NH3+])c1)Cc1ccco1 ZINC000841287211 1030158845 /nfs/dbraw/zinc/15/88/45/1030158845.db2.gz XOJZSMZNTFVJSH-UHFFFAOYSA-N 1 3 360.458 2.603 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC(C)C)C1 ZINC001112198134 1030217054 /nfs/dbraw/zinc/21/70/54/1030217054.db2.gz CLOQTFRHHLBJAP-HUUCEWRRSA-N 1 3 351.457 2.743 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841819395 1030486577 /nfs/dbraw/zinc/48/65/77/1030486577.db2.gz BTUXICYBYFWXJM-IRXDYDNUSA-N 1 3 366.456 2.510 20 0 FFADHO C[C@H](NC(=O)NCc1ccc(CC[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000841900923 1030530539 /nfs/dbraw/zinc/53/05/39/1030530539.db2.gz CVLVPTAPVKXYKE-JXFKEZNVSA-N 1 3 354.498 2.678 20 0 FFADHO CO[C@@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354435 1030635667 /nfs/dbraw/zinc/63/56/67/1030635667.db2.gz IUHAHWXHOKUCCK-WFXMLNOXSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)OCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396830 1030739891 /nfs/dbraw/zinc/73/98/91/1030739891.db2.gz GSDUTZXEFYQFRW-ICSRJNTNSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+](C)CCn1c(=O)ccc2c1CCN(Cc1cccc(Cl)c1)CC2 ZINC001203798815 1030897257 /nfs/dbraw/zinc/89/72/57/1030897257.db2.gz ITXKYMMMBGSPGH-UHFFFAOYSA-N 1 3 359.901 2.664 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000843040421 1031155052 /nfs/dbraw/zinc/15/50/52/1031155052.db2.gz WBHIAWKJOUZILZ-UHFFFAOYSA-N 1 3 367.497 2.609 20 0 FFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000843085265 1031178182 /nfs/dbraw/zinc/17/81/82/1031178182.db2.gz WFGOBXKMGCHCOI-DNVJHFABSA-N 1 3 368.521 2.809 20 0 FFADHO Cc1cc(C)cc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000843085265 1031178188 /nfs/dbraw/zinc/17/81/88/1031178188.db2.gz WFGOBXKMGCHCOI-DNVJHFABSA-N 1 3 368.521 2.809 20 0 FFADHO C[C@]1(C[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)CCN(Cc2ccccc2)C1 ZINC000798395436 1031388614 /nfs/dbraw/zinc/38/86/14/1031388614.db2.gz FEHVWXLAOFQYMG-IFMALSPDSA-N 1 3 369.484 2.724 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000798487235 1031434434 /nfs/dbraw/zinc/43/44/34/1031434434.db2.gz UEORVMXKTIARDW-IFMALSPDSA-N 1 3 368.525 2.554 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798487235 1031434444 /nfs/dbraw/zinc/43/44/44/1031434444.db2.gz UEORVMXKTIARDW-IFMALSPDSA-N 1 3 368.525 2.554 20 0 FFADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC001205230210 1031613057 /nfs/dbraw/zinc/61/30/57/1031613057.db2.gz QZPCBSFMJFWJSW-CQSZACIVSA-N 1 3 352.784 2.914 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC/C=C/Cl)C1 ZINC001205307170 1031660544 /nfs/dbraw/zinc/66/05/44/1031660544.db2.gz SDFNPSTXNOTXFM-RXWMORICSA-N 1 3 367.896 2.804 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205415447 1031726564 /nfs/dbraw/zinc/72/65/64/1031726564.db2.gz VHHNLJIPZKNGGD-ZCNNSNEGSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001205685943 1031933214 /nfs/dbraw/zinc/93/32/14/1031933214.db2.gz JTNUHFPWYVTLBQ-VDZJLULYSA-N 1 3 367.484 2.798 20 0 FFADHO COc1ccc(CC2(C(=O)Nc3cccc4c3CNC4)CC[NH2+]CC2)cc1 ZINC001218993847 1033446796 /nfs/dbraw/zinc/44/67/96/1033446796.db2.gz WOCVKQLOIAJLJJ-UHFFFAOYSA-N 1 3 365.477 2.849 20 0 FFADHO C[C@@H](C[NH3+])C(=O)N(c1ccccc1N)C1CCN(Cc2ccccc2)CC1 ZINC001219063985 1033501735 /nfs/dbraw/zinc/50/17/35/1033501735.db2.gz OBYDKBXVUDBMKI-KRWDZBQOSA-N 1 3 366.509 2.861 20 0 FFADHO O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@@H]1CNC[C@H](F)C1 ZINC001219487064 1033666643 /nfs/dbraw/zinc/66/66/43/1033666643.db2.gz YJQMPSFWMJSPPU-NLWGTHIKSA-N 1 3 359.489 2.916 20 0 FFADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219789914 1033820415 /nfs/dbraw/zinc/82/04/15/1033820415.db2.gz AWHIGQOORGUJFQ-DUXKGJEZSA-N 1 3 366.509 2.597 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001220161243 1034012645 /nfs/dbraw/zinc/01/26/45/1034012645.db2.gz AVMSUMNVOXMNAO-WSTZPKSXSA-N 1 3 361.555 2.594 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001220162100 1034015405 /nfs/dbraw/zinc/01/54/05/1034015405.db2.gz HKPFJUWRMIMMMF-JLMWRMLUSA-N 1 3 373.541 2.772 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(OC(C)(C)C)n3)CC2)CC1 ZINC001138285155 1034067069 /nfs/dbraw/zinc/06/70/69/1034067069.db2.gz VJCBHAQAOKYEFM-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO CC1CCN(CCNC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC001220634669 1034311837 /nfs/dbraw/zinc/31/18/37/1034311837.db2.gz YXVANESZMQWTIV-NRFANRHFSA-N 1 3 372.557 2.677 20 0 FFADHO CC1CCN(CCNC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC001220634669 1034311850 /nfs/dbraw/zinc/31/18/50/1034311850.db2.gz YXVANESZMQWTIV-NRFANRHFSA-N 1 3 372.557 2.677 20 0 FFADHO N[C@@H](C(=O)NC1CCN(c2cc[nH+]cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001220746420 1034371181 /nfs/dbraw/zinc/37/11/81/1034371181.db2.gz ZUMZCZRZVLUOTG-FQYNAJQUSA-N 1 3 368.525 2.710 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001220804544 1034406263 /nfs/dbraw/zinc/40/62/63/1034406263.db2.gz OMVLOBAHDKIAFK-ARFHVFGLSA-N 1 3 371.447 2.511 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)c2csc([C@H]3CCCN3)n2)cc1 ZINC001220904879 1034450247 /nfs/dbraw/zinc/45/02/47/1034450247.db2.gz HIUSPIXJCSLSFK-MRXNPFEDSA-N 1 3 358.511 2.731 20 0 FFADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001221124007 1034562990 /nfs/dbraw/zinc/56/29/90/1034562990.db2.gz SEVHOSSSABPBGT-UXHICEINSA-N 1 3 364.493 2.660 20 0 FFADHO [NH3+][C@H](CC(=O)NC[C@@H]1Cc2ccccc2CN1)Cc1ccc2ccccc2c1 ZINC001221398109 1034713430 /nfs/dbraw/zinc/71/34/30/1034713430.db2.gz SQHMXCRQKUZKQP-GOTSBHOMSA-N 1 3 373.500 2.930 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001221408725 1034719051 /nfs/dbraw/zinc/71/90/51/1034719051.db2.gz QTUKBAUBIHOWJU-IAOVAPTHSA-N 1 3 371.447 2.810 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001221408725 1034719063 /nfs/dbraw/zinc/71/90/63/1034719063.db2.gz QTUKBAUBIHOWJU-IAOVAPTHSA-N 1 3 371.447 2.810 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226891984 1034875120 /nfs/dbraw/zinc/87/51/20/1034875120.db2.gz XEWZAOFDIZTREC-GUDVDZBRSA-N 1 3 358.530 2.781 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226891984 1034875125 /nfs/dbraw/zinc/87/51/25/1034875125.db2.gz XEWZAOFDIZTREC-GUDVDZBRSA-N 1 3 358.530 2.781 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c(C)c1 ZINC001221772833 1035057037 /nfs/dbraw/zinc/05/70/37/1035057037.db2.gz PGQHTSNVLHPZFP-WOJBJXKFSA-N 1 3 355.526 2.678 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848334 1035111320 /nfs/dbraw/zinc/11/13/20/1035111320.db2.gz KPFRUGNBXWCRLI-VAMGGRTRSA-N 1 3 365.562 2.599 20 0 FFADHO COCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848334 1035111322 /nfs/dbraw/zinc/11/13/22/1035111322.db2.gz KPFRUGNBXWCRLI-VAMGGRTRSA-N 1 3 365.562 2.599 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccncc2Cl)CC1 ZINC001228224445 1036001383 /nfs/dbraw/zinc/00/13/83/1036001383.db2.gz HLODXOSDLHAHRJ-IAGOWNOFSA-N 1 3 364.921 2.594 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl)[NH+](C)C ZINC001228444906 1036117373 /nfs/dbraw/zinc/11/73/73/1036117373.db2.gz IOMZQMMMQAUJSZ-UMVBOHGHSA-N 1 3 350.334 2.909 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cncc(-c2ccccc2)c1 ZINC001232902372 1036142235 /nfs/dbraw/zinc/14/22/35/1036142235.db2.gz WRCCMYSFKCNVPN-FCHUYYIVSA-N 1 3 350.510 2.959 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cncc(-c2ccccc2)c1 ZINC001232902372 1036142246 /nfs/dbraw/zinc/14/22/46/1036142246.db2.gz WRCCMYSFKCNVPN-FCHUYYIVSA-N 1 3 350.510 2.959 20 0 FFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cnc3cc[nH]cc1-3)C2 ZINC001140800912 1036177210 /nfs/dbraw/zinc/17/72/10/1036177210.db2.gz AMUOSKPCXTUIEW-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cnc3cc[nH]cc1-3)C2 ZINC001140800912 1036177218 /nfs/dbraw/zinc/17/72/18/1036177218.db2.gz AMUOSKPCXTUIEW-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1c[nH]c3ccncc13)C2 ZINC001140800912 1036177224 /nfs/dbraw/zinc/17/72/24/1036177224.db2.gz AMUOSKPCXTUIEW-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1c[nH]c3ccncc13)C2 ZINC001140800912 1036177233 /nfs/dbraw/zinc/17/72/33/1036177233.db2.gz AMUOSKPCXTUIEW-RXVVDRJESA-N 1 3 354.498 2.743 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C)C1CCC1 ZINC001228647375 1036230724 /nfs/dbraw/zinc/23/07/24/1036230724.db2.gz RZPHYXIMOMLXGP-QRVBRYPASA-N 1 3 367.578 2.796 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1O ZINC001233231098 1036449672 /nfs/dbraw/zinc/44/96/72/1036449672.db2.gz JHINKHBIQNJIDX-WOJBJXKFSA-N 1 3 371.525 2.608 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC001229232060 1036566061 /nfs/dbraw/zinc/56/60/61/1036566061.db2.gz XEFSVVZSIPLVJU-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)C1CCCC1 ZINC001229230484 1036566161 /nfs/dbraw/zinc/56/61/61/1036566161.db2.gz IHRQPGXSULJMHI-QRVBRYPASA-N 1 3 353.551 2.550 20 0 FFADHO Cc1nc(C)c(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)[nH]1 ZINC001234608131 1037111286 /nfs/dbraw/zinc/11/12/86/1037111286.db2.gz DOCVXCVMZPXNTO-UHFFFAOYSA-N 1 3 360.527 2.955 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001230172022 1037129545 /nfs/dbraw/zinc/12/95/45/1037129545.db2.gz PMXBIHFQGIKDSU-QZTJIDSGSA-N 1 3 364.559 2.926 20 0 FFADHO C[C@@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001230243544 1037172418 /nfs/dbraw/zinc/17/24/18/1037172418.db2.gz ROSNSMDSHNWAEP-NSISKUIASA-N 1 3 361.530 2.540 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266588 1037185772 /nfs/dbraw/zinc/18/57/72/1037185772.db2.gz OYPDRYUWFFYKOD-WOJBJXKFSA-N 1 3 361.530 2.804 20 0 FFADHO Cc1ncccc1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001207150174 1037195823 /nfs/dbraw/zinc/19/58/23/1037195823.db2.gz YPKCZJCZTNFERV-UHFFFAOYSA-N 1 3 366.509 2.900 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCOCc3ccccc3)C2)C1 ZINC001207231088 1037264258 /nfs/dbraw/zinc/26/42/58/1037264258.db2.gz KIDGRVJPVNFGBS-FGZHOGPDSA-N 1 3 358.526 2.884 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCOCc3ccccc3)C2)C1 ZINC001207231088 1037264266 /nfs/dbraw/zinc/26/42/66/1037264266.db2.gz KIDGRVJPVNFGBS-FGZHOGPDSA-N 1 3 358.526 2.884 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001207484545 1037482765 /nfs/dbraw/zinc/48/27/65/1037482765.db2.gz PXGHTAGFCOVRQV-YPAWHYETSA-N 1 3 373.541 2.810 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1cccc(Cl)c1Cl)C2 ZINC001235337534 1037487937 /nfs/dbraw/zinc/48/79/37/1037487937.db2.gz MWBOPEUVTVDMOI-NPSOMJIGSA-N 1 3 369.292 2.824 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1cc(Cl)ccc1Cl)C2 ZINC001235336020 1037488475 /nfs/dbraw/zinc/48/84/75/1037488475.db2.gz ANRQIZQKRKFKDV-PXMRGAAZSA-N 1 3 369.292 2.824 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365749 1037506979 /nfs/dbraw/zinc/50/69/79/1037506979.db2.gz PESGWIDIUUZHQA-AFYVEPGGSA-N 1 3 363.496 2.730 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235365749 1037506997 /nfs/dbraw/zinc/50/69/97/1037506997.db2.gz PESGWIDIUUZHQA-AFYVEPGGSA-N 1 3 363.496 2.730 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001207616599 1037603852 /nfs/dbraw/zinc/60/38/52/1037603852.db2.gz AHIXLTXUCKIIQS-YVWKXTFCSA-N 1 3 359.514 2.506 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001207616599 1037603867 /nfs/dbraw/zinc/60/38/67/1037603867.db2.gz AHIXLTXUCKIIQS-YVWKXTFCSA-N 1 3 359.514 2.506 20 0 FFADHO Brc1cccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001235689940 1037685477 /nfs/dbraw/zinc/68/54/77/1037685477.db2.gz ITBGTFNZWQBMSC-INIZCTEOSA-N 1 3 366.347 2.956 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001207747599 1037691859 /nfs/dbraw/zinc/69/18/59/1037691859.db2.gz YMTRLDGPVGEYQR-DNVCBOLYSA-N 1 3 356.514 2.835 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001207747599 1037691862 /nfs/dbraw/zinc/69/18/62/1037691862.db2.gz YMTRLDGPVGEYQR-DNVCBOLYSA-N 1 3 356.514 2.835 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C2)cc1 ZINC001207750768 1037694669 /nfs/dbraw/zinc/69/46/69/1037694669.db2.gz XPVUHCZRVVRWEB-YLJYHZDGSA-N 1 3 359.558 2.958 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C2)cc1 ZINC001207750768 1037694673 /nfs/dbraw/zinc/69/46/73/1037694673.db2.gz XPVUHCZRVVRWEB-YLJYHZDGSA-N 1 3 359.558 2.958 20 0 FFADHO CC1([NH+]2CCOCC2)CCC(N[C@@H](CO)c2cc(F)ccc2F)CC1 ZINC001207793392 1037736040 /nfs/dbraw/zinc/73/60/40/1037736040.db2.gz JXXMUQVGRZRLTJ-OBONGRFPSA-N 1 3 354.441 2.621 20 0 FFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001207828450 1037763074 /nfs/dbraw/zinc/76/30/74/1037763074.db2.gz UFDOXXAGKXNSOD-JONQDZQNSA-N 1 3 373.488 2.618 20 0 FFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001207828450 1037763094 /nfs/dbraw/zinc/76/30/94/1037763094.db2.gz UFDOXXAGKXNSOD-JONQDZQNSA-N 1 3 373.488 2.618 20 0 FFADHO C[C@@H](c1ccccc1)N1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235864830 1037802400 /nfs/dbraw/zinc/80/24/00/1037802400.db2.gz WHSAOFOEJUFNEK-FQEVSTJZSA-N 1 3 364.537 2.975 20 0 FFADHO c1ccc2c(c1)CCN1CCN(Cc3cccc(N4CC[NH2+]CC4)c3)C[C@H]21 ZINC001236059325 1037910902 /nfs/dbraw/zinc/91/09/02/1037910902.db2.gz FDLZFJUEYSDGRK-HSZRJFAPSA-N 1 3 362.521 2.511 20 0 FFADHO Cc1cc(CN2CCC([NH+]3CCNCC3)CC2)ccc1Br ZINC001236126504 1037941449 /nfs/dbraw/zinc/94/14/49/1037941449.db2.gz CHIZJLPRJVFTEL-UHFFFAOYSA-N 1 3 352.320 2.627 20 0 FFADHO c1cnn(CCCN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001208077904 1038009783 /nfs/dbraw/zinc/00/97/83/1038009783.db2.gz CNIOFDREWXYHRU-VXKWHMMOSA-N 1 3 372.557 2.734 20 0 FFADHO c1cnn(CCCN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001208077904 1038009804 /nfs/dbraw/zinc/00/98/04/1038009804.db2.gz CNIOFDREWXYHRU-VXKWHMMOSA-N 1 3 372.557 2.734 20 0 FFADHO Cn1cc(C(=O)c2ccc(F)cc2)cc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320574 1038041370 /nfs/dbraw/zinc/04/13/70/1038041370.db2.gz QSKDQGDFOXMESG-CALCHBBNSA-N 1 3 355.457 2.827 20 0 FFADHO Brc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2nsnc21 ZINC001236321714 1038046011 /nfs/dbraw/zinc/04/60/11/1038046011.db2.gz OPTSATIDDKSKQU-PHIMTYICSA-N 1 3 367.316 2.885 20 0 FFADHO Cc1ccc(Cl)c(CN(CCN2CCOCC2)CC2CC[NH2+]CC2)c1 ZINC001236402030 1038074089 /nfs/dbraw/zinc/07/40/89/1038074089.db2.gz TUMDJXCTZXRKHZ-UHFFFAOYSA-N 1 3 365.949 2.782 20 0 FFADHO CN(C)CC1(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)CCCC1 ZINC001208186317 1038124401 /nfs/dbraw/zinc/12/44/01/1038124401.db2.gz TVFMTMFGIHZPOH-UFYCRDLUSA-N 1 3 359.514 2.814 20 0 FFADHO CN(C)CC1(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)CCCC1 ZINC001208186317 1038124415 /nfs/dbraw/zinc/12/44/15/1038124415.db2.gz TVFMTMFGIHZPOH-UFYCRDLUSA-N 1 3 359.514 2.814 20 0 FFADHO Cc1ccccc1CN(Cc1cnc2n1CCNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236562790 1038134371 /nfs/dbraw/zinc/13/43/71/1038134371.db2.gz XIMQZSVSXPSEGK-WGSAOQKQSA-N 1 3 353.514 2.567 20 0 FFADHO CC[N@H+]1C[C@H]2CN(CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001208234412 1038159866 /nfs/dbraw/zinc/15/98/66/1038159866.db2.gz GZMSLBNWSIZQDC-KURKYZTESA-N 1 3 351.535 2.907 20 0 FFADHO CC[N@@H+]1C[C@H]2CN(CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001208234412 1038159875 /nfs/dbraw/zinc/15/98/75/1038159875.db2.gz GZMSLBNWSIZQDC-KURKYZTESA-N 1 3 351.535 2.907 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001255953113 1038270943 /nfs/dbraw/zinc/27/09/43/1038270943.db2.gz IZPQAGSQVTYUKX-QGZVFWFLSA-N 1 3 370.582 2.686 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C2CCOCC2)CC1 ZINC001255954252 1038271236 /nfs/dbraw/zinc/27/12/36/1038271236.db2.gz ZLUAZKHINFUNJN-BHIYHBOVSA-N 1 3 353.551 2.550 20 0 FFADHO COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001208402182 1038287739 /nfs/dbraw/zinc/28/77/39/1038287739.db2.gz XRPUENUCQAEIQX-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001208402182 1038287752 /nfs/dbraw/zinc/28/77/52/1038287752.db2.gz XRPUENUCQAEIQX-MISYRCLQSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441208 1038319034 /nfs/dbraw/zinc/31/90/34/1038319034.db2.gz BOHFZZPHFQTRHB-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236906000 1038348274 /nfs/dbraw/zinc/34/82/74/1038348274.db2.gz SVRAFASDFMJDCW-VQTJNVASSA-N 1 3 373.932 2.736 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236906000 1038348286 /nfs/dbraw/zinc/34/82/86/1038348286.db2.gz SVRAFASDFMJDCW-VQTJNVASSA-N 1 3 373.932 2.736 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(C4CC[NH+](C5CC5)CC4)CCN3C2)c1 ZINC001256077943 1038365535 /nfs/dbraw/zinc/36/55/35/1038365535.db2.gz IMAPRQBLXDGYER-TZIWHRDSSA-N 1 3 359.489 2.590 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@H]3CN(C4CC[NH+](C5CC5)CC4)CCN3C2)c1 ZINC001256077940 1038365953 /nfs/dbraw/zinc/36/59/53/1038365953.db2.gz IMAPRQBLXDGYER-PZJWPPBQSA-N 1 3 359.489 2.590 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001208515425 1038375307 /nfs/dbraw/zinc/37/53/07/1038375307.db2.gz MSUFAHSYMFRGKW-CDHQVMDDSA-N 1 3 356.514 2.691 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C)N(C)C ZINC001208515425 1038375318 /nfs/dbraw/zinc/37/53/18/1038375318.db2.gz MSUFAHSYMFRGKW-CDHQVMDDSA-N 1 3 356.514 2.691 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2cccc(Br)c2)CC1 ZINC001256176725 1038419003 /nfs/dbraw/zinc/41/90/03/1038419003.db2.gz DEHYIDYPNRYRHO-MRXNPFEDSA-N 1 3 368.363 2.996 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCC3(CC2)CN(Cc2cccs2)CCO3)C1 ZINC001208606759 1038443417 /nfs/dbraw/zinc/44/34/17/1038443417.db2.gz HGWQFGQEVIUNKV-GOSISDBHSA-N 1 3 363.571 2.757 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCC3(CC2)CN(Cc2cccs2)CCO3)C1 ZINC001208606759 1038443421 /nfs/dbraw/zinc/44/34/21/1038443421.db2.gz HGWQFGQEVIUNKV-GOSISDBHSA-N 1 3 363.571 2.757 20 0 FFADHO COCCC1([NH3+])CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001256461980 1038522441 /nfs/dbraw/zinc/52/24/41/1038522441.db2.gz IRYYVKQYCDGSAH-HZPDHXFCSA-N 1 3 355.523 2.604 20 0 FFADHO COc1ccc(C2(C[NH2+]C3CCN(C(C)(C)C)CC3)CCOCC2)nc1 ZINC001256566867 1038563197 /nfs/dbraw/zinc/56/31/97/1038563197.db2.gz NDJNPKAGRSEEMT-UHFFFAOYSA-N 1 3 361.530 2.991 20 0 FFADHO COc1ccc(C2(CNC3CC[NH+](C(C)(C)C)CC3)CCOCC2)nc1 ZINC001256566867 1038563199 /nfs/dbraw/zinc/56/31/99/1038563199.db2.gz NDJNPKAGRSEEMT-UHFFFAOYSA-N 1 3 361.530 2.991 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4C)[C@H](C)C2)cc1 ZINC001256627941 1038584576 /nfs/dbraw/zinc/58/45/76/1038584576.db2.gz LJCLDTLWZVLTDP-ZEDDUWKQSA-N 1 3 371.525 2.605 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4C)[C@H](C)C2)cc1 ZINC001256627941 1038584583 /nfs/dbraw/zinc/58/45/83/1038584583.db2.gz LJCLDTLWZVLTDP-ZEDDUWKQSA-N 1 3 371.525 2.605 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4C)[C@@H](C)C2)cc1 ZINC001256627940 1038584750 /nfs/dbraw/zinc/58/47/50/1038584750.db2.gz LJCLDTLWZVLTDP-XVSDAANHSA-N 1 3 371.525 2.605 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4C)[C@@H](C)C2)cc1 ZINC001256627940 1038584756 /nfs/dbraw/zinc/58/47/56/1038584756.db2.gz LJCLDTLWZVLTDP-XVSDAANHSA-N 1 3 371.525 2.605 20 0 FFADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208937452 1038594664 /nfs/dbraw/zinc/59/46/64/1038594664.db2.gz WHQUYIVANAXYGW-CGXNFDGLSA-N 1 3 355.526 2.601 20 0 FFADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208937452 1038594666 /nfs/dbraw/zinc/59/46/66/1038594666.db2.gz WHQUYIVANAXYGW-CGXNFDGLSA-N 1 3 355.526 2.601 20 0 FFADHO O=C1NCCC2(CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)O1 ZINC001208942092 1038595665 /nfs/dbraw/zinc/59/56/65/1038595665.db2.gz GGTCESFFMVVRDE-IBGZPJMESA-N 1 3 357.498 2.863 20 0 FFADHO O=C1NCCC2(CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)O1 ZINC001208942092 1038595669 /nfs/dbraw/zinc/59/56/69/1038595669.db2.gz GGTCESFFMVVRDE-IBGZPJMESA-N 1 3 357.498 2.863 20 0 FFADHO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682748 1038600397 /nfs/dbraw/zinc/60/03/97/1038600397.db2.gz ORKYTIMGSXKZDE-UHFFFAOYSA-N 1 3 369.550 2.913 20 0 FFADHO COc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc(Cl)c1O ZINC001256684232 1038601710 /nfs/dbraw/zinc/60/17/10/1038601710.db2.gz ORIBKKGDGLNJCB-UHFFFAOYSA-N 1 3 354.878 2.787 20 0 FFADHO CN(C(=O)OC(C)(C)C)[C@H]1C[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256686691 1038602437 /nfs/dbraw/zinc/60/24/37/1038602437.db2.gz BQJILDZUYQOXMO-QXINMDOSSA-N 1 3 367.534 2.617 20 0 FFADHO [NH3+]Cc1cc(Br)ccc1NC1CCC(N2CCOCC2)CC1 ZINC001256687052 1038602685 /nfs/dbraw/zinc/60/26/85/1038602685.db2.gz LEPSIHGRPBPNSX-UHFFFAOYSA-N 1 3 368.319 2.963 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256686935 1038602869 /nfs/dbraw/zinc/60/28/69/1038602869.db2.gz WGGGFKZCTWCXDL-UHFFFAOYSA-N 1 3 371.569 2.927 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1)N1CCCC1 ZINC001208956884 1038606584 /nfs/dbraw/zinc/60/65/84/1038606584.db2.gz JVCWFQDZZJCWES-NHCUHLMSSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1)N1CCCC1 ZINC001208956884 1038606587 /nfs/dbraw/zinc/60/65/87/1038606587.db2.gz JVCWFQDZZJCWES-NHCUHLMSSA-N 1 3 370.541 2.778 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCC[C@@H](Oc4cnccn4)C3)C2)cc1 ZINC001208963026 1038609217 /nfs/dbraw/zinc/60/92/17/1038609217.db2.gz OBIHCQMAYATLKM-WOJBJXKFSA-N 1 3 352.482 2.842 20 0 FFADHO c1ccc(CN2CC[C@H](C[N@H+]3CCC[C@@H](Oc4cnccn4)C3)C2)cc1 ZINC001208963026 1038609221 /nfs/dbraw/zinc/60/92/21/1038609221.db2.gz OBIHCQMAYATLKM-WOJBJXKFSA-N 1 3 352.482 2.842 20 0 FFADHO CC(C)(C)OC(=O)N1CCC2(CN(C3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC001256857212 1038636696 /nfs/dbraw/zinc/63/66/96/1038636696.db2.gz PWVKNBPUTMYWMS-UHFFFAOYSA-N 1 3 372.513 2.993 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001257063112 1038697337 /nfs/dbraw/zinc/69/73/37/1038697337.db2.gz PCLFOBMYQCPTPJ-FUMNGEBKSA-N 1 3 364.530 2.541 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001257063112 1038697342 /nfs/dbraw/zinc/69/73/42/1038697342.db2.gz PCLFOBMYQCPTPJ-FUMNGEBKSA-N 1 3 364.530 2.541 20 0 FFADHO N[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001245980374 1039175083 /nfs/dbraw/zinc/17/50/83/1039175083.db2.gz CYIVYIZCMGTXKP-QILLFSRXSA-N 1 3 353.466 2.920 20 0 FFADHO O[C@@H](CN[C@H](c1ccccc1F)C1CC[NH2+]CC1)COc1ccccc1 ZINC001245998127 1039183034 /nfs/dbraw/zinc/18/30/34/1039183034.db2.gz GKLVPBKXGZGIND-UWJYYQICSA-N 1 3 358.457 2.896 20 0 FFADHO C[N@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@@H]1N ZINC001246066288 1039234861 /nfs/dbraw/zinc/23/48/61/1039234861.db2.gz QANOFXJZMCEEHX-FHWLQOOXSA-N 1 3 362.514 2.704 20 0 FFADHO C[N@@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@@H]1N ZINC001246066288 1039234872 /nfs/dbraw/zinc/23/48/72/1039234872.db2.gz QANOFXJZMCEEHX-FHWLQOOXSA-N 1 3 362.514 2.704 20 0 FFADHO O=C(OC1CCC([NH2+]C[C@@]23CCCO[C@@H]2CCNC3)CC1)c1ccccc1 ZINC001246142186 1039255663 /nfs/dbraw/zinc/25/56/63/1039255663.db2.gz FEXMUMAYJILVBZ-PELUFGRGSA-N 1 3 372.509 2.903 20 0 FFADHO C[C@H]1C[C@@H](N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CN1Cc1ccccc1 ZINC001246206323 1039279203 /nfs/dbraw/zinc/27/92/03/1039279203.db2.gz FLBZOEKNHQVHBW-UHOSZYNNSA-N 1 3 361.530 2.688 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c(Cl)n1 ZINC001279085874 1039289830 /nfs/dbraw/zinc/28/98/30/1039289830.db2.gz MXPBFOPSZJBLRH-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(Cl)n1 ZINC001279085874 1039289847 /nfs/dbraw/zinc/28/98/47/1039289847.db2.gz MXPBFOPSZJBLRH-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO CCC(CC)[C@@H]([NH2+]C1CCC(C)(C)CC1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246416527 1039346356 /nfs/dbraw/zinc/34/63/56/1039346356.db2.gz RLNXQQPFUIEYAE-UURKPOQGSA-N 1 3 368.562 2.847 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C ZINC001210041581 1039348714 /nfs/dbraw/zinc/34/87/14/1039348714.db2.gz WCUMOELQGDNTAY-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1C ZINC001210041581 1039348724 /nfs/dbraw/zinc/34/87/24/1039348724.db2.gz WCUMOELQGDNTAY-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246490354 1039367328 /nfs/dbraw/zinc/36/73/28/1039367328.db2.gz NHBSFLYQBQRWMJ-ACRUOGEOSA-N 1 3 359.558 2.686 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1[C@H]1CCc3cc(F)ccc3C1)CC[NH2+]CC2 ZINC001246604028 1039410102 /nfs/dbraw/zinc/41/01/02/1039410102.db2.gz QGKVWJAZJQLETF-OALUTQOASA-N 1 3 360.473 2.690 20 0 FFADHO O=C(c1ccsc1)N1CCC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246692719 1039439502 /nfs/dbraw/zinc/43/95/02/1039439502.db2.gz WEQHOONDWHNHKD-JWTNVVGKSA-N 1 3 359.539 2.959 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]23CNC[C@@H](C[C@@H]2C1)O3 ZINC001246687809 1039439679 /nfs/dbraw/zinc/43/96/79/1039439679.db2.gz WZILNPPECDMMDH-PAYONLEZSA-N 1 3 365.315 2.833 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]23CNC[C@@H](C[C@@H]2C1)O3 ZINC001246687809 1039439686 /nfs/dbraw/zinc/43/96/86/1039439686.db2.gz WZILNPPECDMMDH-PAYONLEZSA-N 1 3 365.315 2.833 20 0 FFADHO c1cncc(COC[C@]23CCCO[C@H]2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c1 ZINC001246744503 1039457996 /nfs/dbraw/zinc/45/79/96/1039457996.db2.gz BJQXFIIZYUPCPK-INSZXGISSA-N 1 3 371.525 2.752 20 0 FFADHO CN1C[C@@H](c2ccccc2)C2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1=O ZINC001246744147 1039458327 /nfs/dbraw/zinc/45/83/27/1039458327.db2.gz JQVLSNYJUNUNAM-XNMUZJSGSA-N 1 3 353.510 2.607 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN([C@H]3CCc4cc(Cl)c(Cl)cc4C3)C2)C1 ZINC001246873601 1039511884 /nfs/dbraw/zinc/51/18/84/1039511884.db2.gz UIXKPQYKESRYNU-HOTGVXAUSA-N 1 3 354.325 2.958 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001246873581 1039512129 /nfs/dbraw/zinc/51/21/29/1039512129.db2.gz TUHQUEHJHNUIRT-JKSUJKDBSA-N 1 3 354.325 2.958 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(COC)c2)C[C@H]1C ZINC001210477641 1039573429 /nfs/dbraw/zinc/57/34/29/1039573429.db2.gz YSSFACXIMWLYBC-YLJYHZDGSA-N 1 3 361.530 2.501 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(COC)c2)C[C@H]1C ZINC001210477641 1039573446 /nfs/dbraw/zinc/57/34/46/1039573446.db2.gz YSSFACXIMWLYBC-YLJYHZDGSA-N 1 3 361.530 2.501 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001210499117 1039585134 /nfs/dbraw/zinc/58/51/34/1039585134.db2.gz QEQVULIRAAKMHJ-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001210499117 1039585146 /nfs/dbraw/zinc/58/51/46/1039585146.db2.gz QEQVULIRAAKMHJ-YSGRDPCXSA-N 1 3 361.505 2.981 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001278679994 1039677507 /nfs/dbraw/zinc/67/75/07/1039677507.db2.gz YVZMVFCKMGYYLW-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CN(C)CC[N@H+]1CCC2(CN(Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001278679994 1039677516 /nfs/dbraw/zinc/67/75/16/1039677516.db2.gz YVZMVFCKMGYYLW-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO COc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001252887668 1039759558 /nfs/dbraw/zinc/75/95/58/1039759558.db2.gz HVJMAOCJVQROBM-IPMKNSEASA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001252887668 1039759572 /nfs/dbraw/zinc/75/95/72/1039759572.db2.gz HVJMAOCJVQROBM-IPMKNSEASA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccc(-c2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247829351 1039975087 /nfs/dbraw/zinc/97/50/87/1039975087.db2.gz HMZHLFCCFKWGOS-GOSISDBHSA-N 1 3 362.433 2.689 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366623 1040109723 /nfs/dbraw/zinc/10/97/23/1040109723.db2.gz GODBNFMKKWIVQC-MISYRCLQSA-N 1 3 365.562 2.503 20 0 FFADHO CN(C[C@H](O)C[NH2+]C(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001253395639 1040151823 /nfs/dbraw/zinc/15/18/23/1040151823.db2.gz JEMKQEQCLYGIGJ-BZUAXINKSA-N 1 3 357.539 2.503 20 0 FFADHO CN1CCC[C@@H]1CC[NH2+]C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253431973 1040179118 /nfs/dbraw/zinc/17/91/18/1040179118.db2.gz DLCJQODMYWNMEP-RTBURBONSA-N 1 3 362.514 2.576 20 0 FFADHO Cc1ccc(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)c(F)c1 ZINC001278755260 1040511508 /nfs/dbraw/zinc/51/15/08/1040511508.db2.gz RFZBLHTUDACJPM-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434472 1040550488 /nfs/dbraw/zinc/55/04/88/1040550488.db2.gz DHWGSPRNZZSKKN-FGTMMUONSA-N 1 3 355.567 2.749 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001254389730 1040694354 /nfs/dbraw/zinc/69/43/54/1040694354.db2.gz CIORCAQTFLZIDA-MOPGFXCFSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCN(C)C1 ZINC001254389730 1040694357 /nfs/dbraw/zinc/69/43/57/1040694357.db2.gz CIORCAQTFLZIDA-MOPGFXCFSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001254474812 1040739204 /nfs/dbraw/zinc/73/92/04/1040739204.db2.gz SPDIWRGIGZRUBW-LEWJYISDSA-N 1 3 370.541 2.839 20 0 FFADHO CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+]([C@H]1CCCN(C)CC1)CC2 ZINC001254520120 1040771954 /nfs/dbraw/zinc/77/19/54/1040771954.db2.gz MBLNRNGUHSRSDO-HNNXBMFYSA-N 1 3 364.559 2.510 20 0 FFADHO CCN(CC)C(=O)c1nc2c(s1)CC[N@H+]([C@H]1CCCN(C)CC1)CC2 ZINC001254520120 1040771960 /nfs/dbraw/zinc/77/19/60/1040771960.db2.gz MBLNRNGUHSRSDO-HNNXBMFYSA-N 1 3 364.559 2.510 20 0 FFADHO C[N@@H+]1CCC[C@H](N(Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)CC1 ZINC001254525666 1040780297 /nfs/dbraw/zinc/78/02/97/1040780297.db2.gz KLHBHXYHTXAHBA-XUVXKRRUSA-N 1 3 357.498 2.956 20 0 FFADHO C[N@H+]1CCC[C@H](N(Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)CC1 ZINC001254525666 1040780311 /nfs/dbraw/zinc/78/03/11/1040780311.db2.gz KLHBHXYHTXAHBA-XUVXKRRUSA-N 1 3 357.498 2.956 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1OC ZINC001213702759 1040809476 /nfs/dbraw/zinc/80/94/76/1040809476.db2.gz VAJPXJNHKKFBHZ-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1OC ZINC001213702759 1040809494 /nfs/dbraw/zinc/80/94/94/1040809494.db2.gz VAJPXJNHKKFBHZ-VAMGGRTRSA-N 1 3 367.578 2.893 20 0 FFADHO CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](OC)C1 ZINC001213914623 1041070042 /nfs/dbraw/zinc/07/00/42/1041070042.db2.gz OHLAKQIRTAAJOU-WOJBJXKFSA-N 1 3 361.530 2.758 20 0 FFADHO CCCCCC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](OC)C1 ZINC001213914623 1041070056 /nfs/dbraw/zinc/07/00/56/1041070056.db2.gz OHLAKQIRTAAJOU-WOJBJXKFSA-N 1 3 361.530 2.758 20 0 FFADHO C[N@H+](C1CC1)C1CCN(C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001255009820 1041102132 /nfs/dbraw/zinc/10/21/32/1041102132.db2.gz PFZMSKWVIFGQEM-NOTZXAQLSA-N 1 3 369.553 2.977 20 0 FFADHO C[N@@H+](C1CC1)C1CCN(C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001255009820 1041102141 /nfs/dbraw/zinc/10/21/41/1041102141.db2.gz PFZMSKWVIFGQEM-NOTZXAQLSA-N 1 3 369.553 2.977 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCN(c4ncccn4)C2)C3)cc1 ZINC001255123313 1041159716 /nfs/dbraw/zinc/15/97/16/1041159716.db2.gz RRGYNTQFQPSHLF-XSDIEEQYSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCN(c4ncccn4)C2)C3)cc1 ZINC001255123313 1041159723 /nfs/dbraw/zinc/15/97/23/1041159723.db2.gz RRGYNTQFQPSHLF-XSDIEEQYSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCCN(C4COC4)C2)C3)cc1 ZINC001255126148 1041161394 /nfs/dbraw/zinc/16/13/94/1041161394.db2.gz KPQAZKKBUZXQLN-NCYKPQTJSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCCN(C4COC4)C2)C3)cc1 ZINC001255126148 1041161403 /nfs/dbraw/zinc/16/14/03/1041161403.db2.gz KPQAZKKBUZXQLN-NCYKPQTJSA-N 1 3 355.526 2.635 20 0 FFADHO COc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc2c1OCC=C2 ZINC001250513689 1041232568 /nfs/dbraw/zinc/23/25/68/1041232568.db2.gz ASNUTCYVDCJOCF-UHFFFAOYSA-N 1 3 371.525 2.560 20 0 FFADHO c1ccc(CN2CCC[C@@H]([N@@H+]3CC[C@H](Oc4cnccn4)C3)CC2)cc1 ZINC001255410529 1041328009 /nfs/dbraw/zinc/32/80/09/1041328009.db2.gz YNYVNIGSPQROOZ-UXHICEINSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@@H]([N@H+]3CC[C@H](Oc4cnccn4)C3)CC2)cc1 ZINC001255410529 1041328015 /nfs/dbraw/zinc/32/80/15/1041328015.db2.gz YNYVNIGSPQROOZ-UXHICEINSA-N 1 3 352.482 2.984 20 0 FFADHO COc1cccc([C@@H](O)C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC001250736794 1041334562 /nfs/dbraw/zinc/33/45/62/1041334562.db2.gz KDCQXPDWSGBAGL-NRFANRHFSA-N 1 3 355.482 2.625 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001214754994 1041563983 /nfs/dbraw/zinc/56/39/83/1041563983.db2.gz NRYIKBPIIQHAII-ATZDWAIDSA-N 1 3 367.484 2.751 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC001214855266 1041596292 /nfs/dbraw/zinc/59/62/92/1041596292.db2.gz BHCAMHNSPNMOKP-CDHQVMDDSA-N 1 3 361.505 2.535 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001214997701 1041638899 /nfs/dbraw/zinc/63/88/99/1041638899.db2.gz LYIPDWPBRHEGJK-LVCYWYKZSA-N 1 3 371.569 2.958 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccco1 ZINC001262582424 1041736915 /nfs/dbraw/zinc/73/69/15/1041736915.db2.gz VEJFVIRYBHLPHW-CNDLSXRNSA-N 1 3 356.470 2.633 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001215381158 1041765522 /nfs/dbraw/zinc/76/55/22/1041765522.db2.gz PUGOWTTZMTZFPP-RBSFLKMASA-N 1 3 362.345 2.864 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001215381158 1041765530 /nfs/dbraw/zinc/76/55/30/1041765530.db2.gz PUGOWTTZMTZFPP-RBSFLKMASA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1cc(F)ccc1F ZINC001215414313 1041775004 /nfs/dbraw/zinc/77/50/04/1041775004.db2.gz STASATPCUCPPRZ-HBUWYVDXSA-N 1 3 365.468 2.804 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001215999187 1041927362 /nfs/dbraw/zinc/92/73/62/1041927362.db2.gz UIMPHLBUOJVLKV-DBXWQHBBSA-N 1 3 357.542 2.570 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)C1 ZINC001216511384 1042044903 /nfs/dbraw/zinc/04/49/03/1042044903.db2.gz QGPDNOLYMALREX-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1cccc(Cl)n1 ZINC001216830243 1042139589 /nfs/dbraw/zinc/13/95/89/1042139589.db2.gz MFHZHQODAMVCDW-NVXWUHKLSA-N 1 3 364.921 2.548 20 0 FFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851774 1042144069 /nfs/dbraw/zinc/14/40/69/1042144069.db2.gz HXKRENSWBGDVHE-CRAIPNDOSA-N 1 3 351.922 2.925 20 0 FFADHO CSCC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001263171122 1042147123 /nfs/dbraw/zinc/14/71/23/1042147123.db2.gz HJRRLGSJBOJVDU-ZIAGYGMSSA-N 1 3 363.449 2.505 20 0 FFADHO [NH3+]CC1([C@@H]2CCCCN2C(=O)CC2(N3CCOCC3)CCCC2)CCC1 ZINC001263239593 1042193154 /nfs/dbraw/zinc/19/31/54/1042193154.db2.gz PJCAYTAWTBENJT-SFHVURJKSA-N 1 3 363.546 2.532 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)C[N@@H+]2C1 ZINC001263860666 1042498978 /nfs/dbraw/zinc/49/89/78/1042498978.db2.gz BWUVIFDVASDPBV-UIFIKXQLSA-N 1 3 370.541 2.530 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)C[N@H+]2C1 ZINC001263860666 1042498982 /nfs/dbraw/zinc/49/89/82/1042498982.db2.gz BWUVIFDVASDPBV-UIFIKXQLSA-N 1 3 370.541 2.530 20 0 FFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001263932983 1042542070 /nfs/dbraw/zinc/54/20/70/1042542070.db2.gz IAYHXRBRFGGTIG-JENIJYKNSA-N 1 3 361.530 2.971 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001264488076 1042694090 /nfs/dbraw/zinc/69/40/90/1042694090.db2.gz BDDOOKCAVXMEIM-RBUKOAKNSA-N 1 3 354.498 2.768 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001264492081 1042695607 /nfs/dbraw/zinc/69/56/07/1042695607.db2.gz CUMGLYXHLAZLQG-SOUVJXGZSA-N 1 3 364.361 2.785 20 0 FFADHO O=C1NC2(CCN(Cc3cccs3)CC2)[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001279167047 1042928375 /nfs/dbraw/zinc/92/83/75/1042928375.db2.gz IFBBTIGKZPEADO-QZTJIDSGSA-N 1 3 359.539 2.703 20 0 FFADHO O=C1NC2(CCN(Cc3cccs3)CC2)[C@@H]2C[N@H+](C3CCCC3)C[C@@H]12 ZINC001279167047 1042928376 /nfs/dbraw/zinc/92/83/76/1042928376.db2.gz IFBBTIGKZPEADO-QZTJIDSGSA-N 1 3 359.539 2.703 20 0 FFADHO COc1cc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)ccc1O ZINC001279185164 1042937233 /nfs/dbraw/zinc/93/72/33/1042937233.db2.gz HXRYLLBGUBNROD-OAQYLSRUSA-N 1 3 361.530 2.640 20 0 FFADHO COc1cc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)ccc1O ZINC001279185164 1042937235 /nfs/dbraw/zinc/93/72/35/1042937235.db2.gz HXRYLLBGUBNROD-OAQYLSRUSA-N 1 3 361.530 2.640 20 0 FFADHO COCCOCN1CCC[C@]2(CCCN(CCC[NH+]3CCCCC3)C2)C1 ZINC001279275606 1042978997 /nfs/dbraw/zinc/97/89/97/1042978997.db2.gz WKCDICLJHUSMEX-NRFANRHFSA-N 1 3 367.578 2.661 20 0 FFADHO COCCOCN1CCC[C@]2(CCC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001279275606 1042978999 /nfs/dbraw/zinc/97/89/99/1042978999.db2.gz WKCDICLJHUSMEX-NRFANRHFSA-N 1 3 367.578 2.661 20 0 FFADHO COCCOCN1CCC[C@]2(CCC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001279275606 1042979004 /nfs/dbraw/zinc/97/90/04/1042979004.db2.gz WKCDICLJHUSMEX-NRFANRHFSA-N 1 3 367.578 2.661 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc4cc[nH]c4cn3)(C1)CCC2 ZINC001279304581 1042992461 /nfs/dbraw/zinc/99/24/61/1042992461.db2.gz FDQKKJSKZNLSLC-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO Cc1csc(CN2C[C@@H]3CC[N@@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)n1 ZINC001279326794 1043002479 /nfs/dbraw/zinc/00/24/79/1043002479.db2.gz SLPOWBFTGXJFOH-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1csc(CN2C[C@@H]3CC[N@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)n1 ZINC001279326794 1043002483 /nfs/dbraw/zinc/00/24/83/1043002483.db2.gz SLPOWBFTGXJFOH-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO C[N@H+]1CC[C@H]2CN(Cc3cnccc3NC(=O)OC(C)(C)C)C[C@H]2CC1 ZINC001279331195 1043005146 /nfs/dbraw/zinc/00/51/46/1043005146.db2.gz GUQFQMAOVFUNHX-IYBDPMFKSA-N 1 3 360.502 2.624 20 0 FFADHO C[N@@H+]1CC[C@H]2CN(Cc3cnccc3NC(=O)OC(C)(C)C)C[C@H]2CC1 ZINC001279331195 1043005151 /nfs/dbraw/zinc/00/51/51/1043005151.db2.gz GUQFQMAOVFUNHX-IYBDPMFKSA-N 1 3 360.502 2.624 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cnccc1C(F)(F)F)CC2 ZINC001279332790 1043007507 /nfs/dbraw/zinc/00/75/07/1043007507.db2.gz AOFFDGBVRRYQRE-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cccn2Cc2ccccc2)CCC12C[NH2+]C2 ZINC001237428537 1043153726 /nfs/dbraw/zinc/15/37/26/1043153726.db2.gz AWZQKZPMQXVBCX-FQEVSTJZSA-N 1 3 367.493 2.511 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cc3cc(Cl)ccc3[nH]2)CCC12C[NH2+]C2 ZINC001237429428 1043155315 /nfs/dbraw/zinc/15/53/15/1043155315.db2.gz HQLLXKGEMVGTBY-INIZCTEOSA-N 1 3 361.873 2.796 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cccc(C(F)(F)F)c2C)CCC12C[NH2+]C2 ZINC001237433017 1043160015 /nfs/dbraw/zinc/16/00/15/1043160015.db2.gz ZNILFJYBLATMHK-INIZCTEOSA-N 1 3 370.415 2.988 20 0 FFADHO Cc1ccc([C@H](C)CC[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)o1 ZINC001279488139 1043172265 /nfs/dbraw/zinc/17/22/65/1043172265.db2.gz FMFGCNIVLNTXJU-QGZVFWFLSA-N 1 3 361.530 2.958 20 0 FFADHO CCCn1ncc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)c1C ZINC001279607985 1043331996 /nfs/dbraw/zinc/33/19/96/1043331996.db2.gz ACJOBOBJSGRZQS-NRFANRHFSA-N 1 3 361.578 2.841 20 0 FFADHO CCCn1ncc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)c1C ZINC001279607985 1043332002 /nfs/dbraw/zinc/33/20/02/1043332002.db2.gz ACJOBOBJSGRZQS-NRFANRHFSA-N 1 3 361.578 2.841 20 0 FFADHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3nc4ccccc4s3)(C1)CCC2 ZINC001279635324 1043376981 /nfs/dbraw/zinc/37/69/81/1043376981.db2.gz UFXZKGXMOCBHHE-UXHICEINSA-N 1 3 372.538 2.909 20 0 FFADHO Clc1ccc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)cn1 ZINC001279650487 1043401690 /nfs/dbraw/zinc/40/16/90/1043401690.db2.gz RPMJIHLXJFUEQL-HDICACEKSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1ccc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)cn1 ZINC001279650487 1043401696 /nfs/dbraw/zinc/40/16/96/1043401696.db2.gz RPMJIHLXJFUEQL-HDICACEKSA-N 1 3 359.905 2.776 20 0 FFADHO CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NCc3ccc(C(C)(C)C)[nH]3)(C1)CCC2 ZINC001279662311 1043422233 /nfs/dbraw/zinc/42/22/33/1043422233.db2.gz JKMXUQKGDTZLDW-RTWAWAEBSA-N 1 3 360.546 2.925 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccc3nsnc3c1)CC2 ZINC001279691726 1043477358 /nfs/dbraw/zinc/47/73/58/1043477358.db2.gz QASTXZZWYBMRIH-UHFFFAOYSA-N 1 3 359.543 2.541 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccc3nsnc3c1)CC2 ZINC001279691726 1043477365 /nfs/dbraw/zinc/47/73/65/1043477365.db2.gz QASTXZZWYBMRIH-UHFFFAOYSA-N 1 3 359.543 2.541 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3sccc3Br)[C@@H]2C1 ZINC001279703346 1043498095 /nfs/dbraw/zinc/49/80/95/1043498095.db2.gz BHKDKKWKIFHWEO-GXTWGEPZSA-N 1 3 358.349 2.578 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3sccc3Br)[C@@H]2C1 ZINC001279703346 1043498098 /nfs/dbraw/zinc/49/80/98/1043498098.db2.gz BHKDKKWKIFHWEO-GXTWGEPZSA-N 1 3 358.349 2.578 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cc1O ZINC001279716828 1043518056 /nfs/dbraw/zinc/51/80/56/1043518056.db2.gz QNVLPIUXUJHBSU-UHFFFAOYSA-N 1 3 354.498 2.885 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cc1O ZINC001279716828 1043518067 /nfs/dbraw/zinc/51/80/67/1043518067.db2.gz QNVLPIUXUJHBSU-UHFFFAOYSA-N 1 3 354.498 2.885 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@H]2CC23CCN(Cc2ccc(F)cc2)CC3)CC1 ZINC001279742391 1043569366 /nfs/dbraw/zinc/56/93/66/1043569366.db2.gz WGGZDQJDINRIGB-LJQANCHMSA-N 1 3 359.489 2.638 20 0 FFADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cnc1OC(C)C ZINC001238376635 1043675871 /nfs/dbraw/zinc/67/58/71/1043675871.db2.gz DRAVKGVFADTZPC-UHFFFAOYSA-N 1 3 360.546 2.637 20 0 FFADHO O=C(Nc1cn[nH]c1)[C@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001279844852 1043762484 /nfs/dbraw/zinc/76/24/84/1043762484.db2.gz VIUCJDZCHPHGRN-QUCCMNQESA-N 1 3 359.518 2.716 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(F)cc(N2CCCC2)c1 ZINC001238701005 1043826918 /nfs/dbraw/zinc/82/69/18/1043826918.db2.gz HWMMEZJGINGGFJ-LEWJYISDSA-N 1 3 360.521 2.636 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(F)cc(N2CCCC2)c1 ZINC001238701005 1043826938 /nfs/dbraw/zinc/82/69/38/1043826938.db2.gz HWMMEZJGINGGFJ-LEWJYISDSA-N 1 3 360.521 2.636 20 0 FFADHO CC[NH+](CC)CCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001311364922 1043902290 /nfs/dbraw/zinc/90/22/90/1043902290.db2.gz FGIXAHVIGBGFCV-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2cccc4c2CCC4)CC3)cn1 ZINC001279997516 1044064040 /nfs/dbraw/zinc/06/40/40/1044064040.db2.gz JKDYNGAMHRAGEX-UHFFFAOYSA-N 1 3 350.510 2.970 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC001312219887 1044071849 /nfs/dbraw/zinc/07/18/49/1044071849.db2.gz UVRHISFRTKDXRI-YSDSKTICSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC001312219887 1044071861 /nfs/dbraw/zinc/07/18/61/1044071861.db2.gz UVRHISFRTKDXRI-YSDSKTICSA-N 1 3 358.530 2.535 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(C(F)(F)F)cc1 ZINC001239217036 1044073248 /nfs/dbraw/zinc/07/32/48/1044073248.db2.gz QLUPKTAGLDBOPC-AWEZNQCLSA-N 1 3 356.392 2.701 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1ccc(C)cc1F)C2 ZINC001280087528 1044188780 /nfs/dbraw/zinc/18/87/80/1044188780.db2.gz FTCBIPPJWMKLHJ-WIYYLYMNSA-N 1 3 361.505 2.756 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313184697 1044263054 /nfs/dbraw/zinc/26/30/54/1044263054.db2.gz HVTSSGHNOISNEB-UXHICEINSA-N 1 3 358.530 2.695 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313184703 1044264026 /nfs/dbraw/zinc/26/40/26/1044264026.db2.gz HVTSSGHNOISNEB-WOJBJXKFSA-N 1 3 358.530 2.695 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001313371025 1044334071 /nfs/dbraw/zinc/33/40/71/1044334071.db2.gz WDRSGZCVRDTVGB-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001313371025 1044334086 /nfs/dbraw/zinc/33/40/86/1044334086.db2.gz WDRSGZCVRDTVGB-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001313371029 1044334501 /nfs/dbraw/zinc/33/45/01/1044334501.db2.gz WDRSGZCVRDTVGB-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001313371029 1044334516 /nfs/dbraw/zinc/33/45/16/1044334516.db2.gz WDRSGZCVRDTVGB-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@]3(CCCN(C[C@H](C)O)C3)C2)cc1 ZINC001280186794 1044369145 /nfs/dbraw/zinc/36/91/45/1044369145.db2.gz SOBDGQMTZNKYGL-LAUBAEHRSA-N 1 3 359.514 2.704 20 0 FFADHO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@]3(CCCN(C[C@H](C)O)C3)C2)cc1 ZINC001280186794 1044369157 /nfs/dbraw/zinc/36/91/57/1044369157.db2.gz SOBDGQMTZNKYGL-LAUBAEHRSA-N 1 3 359.514 2.704 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318801641 1044885913 /nfs/dbraw/zinc/88/59/13/1044885913.db2.gz VFPZVVCIEYODLC-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318801641 1044885929 /nfs/dbraw/zinc/88/59/29/1044885929.db2.gz VFPZVVCIEYODLC-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001316794355 1045002193 /nfs/dbraw/zinc/00/21/93/1045002193.db2.gz JDGUEWBTIFBBPB-QRVBRYPASA-N 1 3 353.551 2.647 20 0 FFADHO COCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001316794355 1045002204 /nfs/dbraw/zinc/00/22/04/1045002204.db2.gz JDGUEWBTIFBBPB-QRVBRYPASA-N 1 3 353.551 2.647 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[NH2+]C(C)(C)C ZINC001318228970 1045247929 /nfs/dbraw/zinc/24/79/29/1045247929.db2.gz XQGILRUBXPWAEX-UHFFFAOYSA-N 1 3 359.436 2.984 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)N1CCc2ccccc2C1 ZINC001318501881 1045315582 /nfs/dbraw/zinc/31/55/82/1045315582.db2.gz CHJVUHOIRMNLIS-NJYVYQBISA-N 1 3 372.557 2.995 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC001320173148 1045361724 /nfs/dbraw/zinc/36/17/24/1045361724.db2.gz CYDSJEULGQRQEH-UHFFFAOYSA-N 1 3 369.484 2.984 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2cccc(F)c2F)CC[N@@H+]1C ZINC001320420497 1045404844 /nfs/dbraw/zinc/40/48/44/1045404844.db2.gz GUFJTIZCBUJVIK-UKPHBRMFSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2cccc(F)c2F)CC[N@H+]1C ZINC001320420497 1045404848 /nfs/dbraw/zinc/40/48/48/1045404848.db2.gz GUFJTIZCBUJVIK-UKPHBRMFSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCCc2ccccc2)CC[N@@H+]1C ZINC001323241169 1045514632 /nfs/dbraw/zinc/51/46/32/1045514632.db2.gz GSKKXSMUCZLLIC-PCCBWWKXSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCCc2ccccc2)CC[N@H+]1C ZINC001323241169 1045514639 /nfs/dbraw/zinc/51/46/39/1045514639.db2.gz GSKKXSMUCZLLIC-PCCBWWKXSA-N 1 3 357.542 2.930 20 0 FFADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F ZINC001323425546 1045586597 /nfs/dbraw/zinc/58/65/97/1045586597.db2.gz SXUYPVCHCBUHJH-UHFFFAOYSA-N 1 3 369.431 2.899 20 0 FFADHO C[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322161176 1045974253 /nfs/dbraw/zinc/97/42/53/1045974253.db2.gz RBEZTHPTMOCBTN-CKEIUWERSA-N 1 3 371.447 2.982 20 0 FFADHO C[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322161176 1045974264 /nfs/dbraw/zinc/97/42/64/1045974264.db2.gz RBEZTHPTMOCBTN-CKEIUWERSA-N 1 3 371.447 2.982 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN(CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001324936575 1046295456 /nfs/dbraw/zinc/29/54/56/1046295456.db2.gz MSYGLFUMLMLMCD-UXLLHSPISA-N 1 3 363.468 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCCN(CCC(F)(F)F)C2)CC[N@H+]1C ZINC001324936575 1046295463 /nfs/dbraw/zinc/29/54/63/1046295463.db2.gz MSYGLFUMLMLMCD-UXLLHSPISA-N 1 3 363.468 2.887 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)N(C)C)cc1 ZINC001325314813 1046464564 /nfs/dbraw/zinc/46/45/64/1046464564.db2.gz YDTBSGWURGMRNC-IBGZPJMESA-N 1 3 358.530 2.773 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001326040395 1046739008 /nfs/dbraw/zinc/73/90/08/1046739008.db2.gz WVZBGFYRNQMGRL-LPHOPBHVSA-N 1 3 352.482 2.804 20 0 FFADHO CC(C)CN1CCN(c2nnc(C(C)C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001287749744 1047355274 /nfs/dbraw/zinc/35/52/74/1047355274.db2.gz PLVULXUEZFRBMU-GOSISDBHSA-N 1 3 362.566 2.520 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1c(F)cccc1Cl ZINC001328343767 1048266785 /nfs/dbraw/zinc/26/67/85/1048266785.db2.gz KMJCRWRHNQLWPY-BFHYXJOUSA-N 1 3 355.885 2.804 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1c(F)cccc1Cl ZINC001328343767 1048266795 /nfs/dbraw/zinc/26/67/95/1048266795.db2.gz KMJCRWRHNQLWPY-BFHYXJOUSA-N 1 3 355.885 2.804 20 0 FFADHO CCOC(=O)c1cc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001332435955 1048394237 /nfs/dbraw/zinc/39/42/37/1048394237.db2.gz LIGDNNNCEWIQRX-FUHWJXTLSA-N 1 3 370.497 2.977 20 0 FFADHO CCOC(=O)c1cc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC001332435955 1048394252 /nfs/dbraw/zinc/39/42/52/1048394252.db2.gz LIGDNNNCEWIQRX-FUHWJXTLSA-N 1 3 370.497 2.977 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(CCCCC(F)(F)F)CC2(C)C)CC[N@@H+]1C ZINC001330201172 1049079279 /nfs/dbraw/zinc/07/92/79/1049079279.db2.gz DVAQPULNALXKLM-KFWWJZLASA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(CCCCC(F)(F)F)CC2(C)C)CC[N@H+]1C ZINC001330201172 1049079294 /nfs/dbraw/zinc/07/92/94/1049079294.db2.gz DVAQPULNALXKLM-KFWWJZLASA-N 1 3 363.468 2.886 20 0 FFADHO CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001330722082 1049291794 /nfs/dbraw/zinc/29/17/94/1049291794.db2.gz ZPNHEZOETWQJKR-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001330722082 1049291808 /nfs/dbraw/zinc/29/18/08/1049291808.db2.gz ZPNHEZOETWQJKR-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001295978170 1050008022 /nfs/dbraw/zinc/00/80/22/1050008022.db2.gz JVQOFVNNCPZTOO-MSOLQXFVSA-N 1 3 362.566 2.627 20 0 FFADHO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCN(C)C3)n2C)CC1 ZINC001341515675 1050149977 /nfs/dbraw/zinc/14/99/77/1050149977.db2.gz INECAKUHXGIMBM-GOSISDBHSA-N 1 3 362.566 2.573 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCN(C)C3)n2C)CC1 ZINC001341515675 1050149980 /nfs/dbraw/zinc/14/99/80/1050149980.db2.gz INECAKUHXGIMBM-GOSISDBHSA-N 1 3 362.566 2.573 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2c(s1)CNCC2 ZINC001340060575 1050468879 /nfs/dbraw/zinc/46/88/79/1050468879.db2.gz CYBKIHGOQHNBCH-KRWDZBQOSA-N 1 3 369.534 2.688 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2c(s1)CNCC2 ZINC001340060575 1050468889 /nfs/dbraw/zinc/46/88/89/1050468889.db2.gz CYBKIHGOQHNBCH-KRWDZBQOSA-N 1 3 369.534 2.688 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001340064848 1050473616 /nfs/dbraw/zinc/47/36/16/1050473616.db2.gz WWJXQBACGNYUSI-ROUUACIJSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001340064848 1050473623 /nfs/dbraw/zinc/47/36/23/1050473623.db2.gz WWJXQBACGNYUSI-ROUUACIJSA-N 1 3 371.525 2.895 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc4c3OCCNC4)C2)CC1 ZINC001340190659 1050597504 /nfs/dbraw/zinc/59/75/04/1050597504.db2.gz LQWMYICYCJFJHJ-GOSISDBHSA-N 1 3 371.525 2.753 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(s1)CNCC2 ZINC001342349877 1050943101 /nfs/dbraw/zinc/94/31/01/1050943101.db2.gz QNZNCKBAFJYFGT-INIZCTEOSA-N 1 3 355.507 2.646 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(s1)CNCC2 ZINC001342349877 1050943108 /nfs/dbraw/zinc/94/31/08/1050943108.db2.gz QNZNCKBAFJYFGT-INIZCTEOSA-N 1 3 355.507 2.646 20 0 FFADHO CC(C)(C)N1CCN(c2nnc(C3CC3)n2CC[NH+]2CCCCCC2)CC1 ZINC001302201999 1051061502 /nfs/dbraw/zinc/06/15/02/1051061502.db2.gz AELPEXPCYRGINW-UHFFFAOYSA-N 1 3 374.577 2.952 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342758637 1051374378 /nfs/dbraw/zinc/37/43/78/1051374378.db2.gz RECCBPQRFUHZMB-JFIYKMOQSA-N 1 3 359.514 2.520 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)c1ccsc1 ZINC001336748892 1054191343 /nfs/dbraw/zinc/19/13/43/1054191343.db2.gz JMFMQNIGIQAIMT-BFYDXBDKSA-N 1 3 352.548 2.757 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001352677447 1055707956 /nfs/dbraw/zinc/70/79/56/1055707956.db2.gz RMQQEBCFKPFPCU-ZHALLVOQSA-N 1 3 372.561 2.560 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001352677447 1055707966 /nfs/dbraw/zinc/70/79/66/1055707966.db2.gz RMQQEBCFKPFPCU-ZHALLVOQSA-N 1 3 372.561 2.560 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)CCCCC2CC[NH2+]CC2)CC1 ZINC001357429399 1055903550 /nfs/dbraw/zinc/90/35/50/1055903550.db2.gz ZKWUHBFLXGGINA-UHFFFAOYSA-N 1 3 353.551 2.552 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001353677351 1056629108 /nfs/dbraw/zinc/62/91/08/1056629108.db2.gz HFYHKZGUQUHBNM-MDZRGWNJSA-N 1 3 357.498 2.646 20 0 FFADHO [NH2+]=C(NC[C@H](CO)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849100433 1056759036 /nfs/dbraw/zinc/75/90/36/1056759036.db2.gz WITGSSALANUILM-HXUWFJFHSA-N 1 3 366.509 2.541 20 0 FFADHO [NH2+]=C(NCc1nnc(C2CC2)s1)NC1CCN(Cc2ccccc2)CC1 ZINC000849117676 1056770188 /nfs/dbraw/zinc/77/01/88/1056770188.db2.gz PNMHLXINNNUYKK-UHFFFAOYSA-N 1 3 370.526 2.694 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(CC(C)C)s1 ZINC001545058477 1071728344 /nfs/dbraw/zinc/72/83/44/1071728344.db2.gz JUPWUECKUKFZFD-MRXNPFEDSA-N 1 3 366.575 2.830 20 0 FFADHO CC1(NC(=S)NCCN2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001200445686 1058208588 /nfs/dbraw/zinc/20/85/88/1058208588.db2.gz USSQUFZLZGCHOR-UHFFFAOYSA-N 1 3 374.598 2.991 20 0 FFADHO C[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1C1CCCC1 ZINC001520684867 1059959931 /nfs/dbraw/zinc/95/99/31/1059959931.db2.gz KLTVSXDPURBFLM-LPHOPBHVSA-N 1 3 365.587 2.679 20 0 FFADHO N[C@H](C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCCC1 ZINC001355546689 1060347611 /nfs/dbraw/zinc/34/76/11/1060347611.db2.gz INPYWCWORVYMLB-LMNJBCLMSA-N 1 3 357.498 2.656 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001547634448 1071979736 /nfs/dbraw/zinc/97/97/36/1071979736.db2.gz FZFPMGXBRYNJSW-ROUUACIJSA-N 1 3 362.566 2.806 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC001461170953 1061235634 /nfs/dbraw/zinc/23/56/34/1061235634.db2.gz FFVFDMUJSHKFHB-SFHVURJKSA-N 1 3 353.514 2.507 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC001461209181 1061250782 /nfs/dbraw/zinc/25/07/82/1061250782.db2.gz YETSVWPIBVWNJM-WMZOPIPTSA-N 1 3 350.503 2.930 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CCCCCC1 ZINC001477331061 1061671255 /nfs/dbraw/zinc/67/12/55/1061671255.db2.gz JMQOJFJAZPZRCO-SFHVURJKSA-N 1 3 350.551 2.957 20 0 FFADHO COC(=O)[C@@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)CC1CCCC1 ZINC001462652470 1061707775 /nfs/dbraw/zinc/70/77/75/1061707775.db2.gz REFUSNSQJHWHKH-LWEYNCJUSA-N 1 3 366.546 2.979 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001477865235 1061823511 /nfs/dbraw/zinc/82/35/11/1061823511.db2.gz JLIZXLSACSYOML-WOJBJXKFSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001477865235 1061823534 /nfs/dbraw/zinc/82/35/34/1061823534.db2.gz JLIZXLSACSYOML-WOJBJXKFSA-N 1 3 358.530 2.743 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001435195663 1062415001 /nfs/dbraw/zinc/41/50/01/1062415001.db2.gz RXWYVHYEAOKJJK-NQIIRXRSSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001435195663 1062415011 /nfs/dbraw/zinc/41/50/11/1062415011.db2.gz RXWYVHYEAOKJJK-NQIIRXRSSA-N 1 3 361.505 2.980 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C ZINC001479490096 1062475526 /nfs/dbraw/zinc/47/55/26/1062475526.db2.gz ADCKUGUOZCTVET-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C ZINC001479490096 1062475543 /nfs/dbraw/zinc/47/55/43/1062475543.db2.gz ADCKUGUOZCTVET-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001479555239 1062530011 /nfs/dbraw/zinc/53/00/11/1062530011.db2.gz PUEUVLVUNRJJAW-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001479555239 1062530033 /nfs/dbraw/zinc/53/00/33/1062530033.db2.gz PUEUVLVUNRJJAW-LJQANCHMSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)(CNC(=O)C12CCC[NH+](CCC1)C2)N1CCc2ccccc2C1 ZINC001464492455 1062643117 /nfs/dbraw/zinc/64/31/17/1062643117.db2.gz MJHJEKHUOFAMSP-UHFFFAOYSA-N 1 3 355.526 2.816 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(Cc3ccc(F)cc3)C[C@H]2C1 ZINC001479672115 1062784453 /nfs/dbraw/zinc/78/44/53/1062784453.db2.gz ADNAHSMHUPRHHA-MOPGFXCFSA-N 1 3 361.505 2.838 20 0 FFADHO CC(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001525038436 1063111173 /nfs/dbraw/zinc/11/11/73/1063111173.db2.gz HTFIUAQLTNCVRM-UHFFFAOYSA-N 1 3 362.566 2.521 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001466170812 1063351182 /nfs/dbraw/zinc/35/11/82/1063351182.db2.gz LQXINVFXGKSCFH-HLAWJBBLSA-N 1 3 371.525 2.965 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001466170812 1063351203 /nfs/dbraw/zinc/35/12/03/1063351203.db2.gz LQXINVFXGKSCFH-HLAWJBBLSA-N 1 3 371.525 2.965 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC001497586489 1063727998 /nfs/dbraw/zinc/72/79/98/1063727998.db2.gz VTHDWCCDWIAMRO-QTVWAHLNSA-N 1 3 361.917 2.930 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC001497586489 1063728013 /nfs/dbraw/zinc/72/80/13/1063728013.db2.gz VTHDWCCDWIAMRO-QTVWAHLNSA-N 1 3 361.917 2.930 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001468004994 1063905299 /nfs/dbraw/zinc/90/52/99/1063905299.db2.gz RQMLQXIPSRDZIK-PZJWPPBQSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001468004994 1063905307 /nfs/dbraw/zinc/90/53/07/1063905307.db2.gz RQMLQXIPSRDZIK-PZJWPPBQSA-N 1 3 370.541 2.967 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)c1 ZINC001468030224 1063914051 /nfs/dbraw/zinc/91/40/51/1063914051.db2.gz AYAUKCSZHPZTEE-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)N2CCCC2)c1 ZINC001468030224 1063914060 /nfs/dbraw/zinc/91/40/60/1063914060.db2.gz AYAUKCSZHPZTEE-ICSRJNTNSA-N 1 3 374.529 2.616 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)N2CCCC2)c1 ZINC001468030225 1063916005 /nfs/dbraw/zinc/91/60/05/1063916005.db2.gz AYAUKCSZHPZTEE-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)N2CCCC2)c1 ZINC001468030225 1063916015 /nfs/dbraw/zinc/91/60/15/1063916015.db2.gz AYAUKCSZHPZTEE-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC1(C)C ZINC001470650868 1064398100 /nfs/dbraw/zinc/39/81/00/1064398100.db2.gz SHSWXHPHWVJHQI-SFHVURJKSA-N 1 3 361.505 2.980 20 0 FFADHO C[N@H+]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC1(C)C ZINC001470650868 1064398106 /nfs/dbraw/zinc/39/81/06/1064398106.db2.gz SHSWXHPHWVJHQI-SFHVURJKSA-N 1 3 361.505 2.980 20 0 FFADHO CC1(C)CC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC001471564497 1064717286 /nfs/dbraw/zinc/71/72/86/1064717286.db2.gz VSOCNAWKTOEMSB-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO CC1(C)CC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC001471564497 1064717300 /nfs/dbraw/zinc/71/73/00/1064717300.db2.gz VSOCNAWKTOEMSB-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCN1C1CCCC1 ZINC001471826597 1064809839 /nfs/dbraw/zinc/80/98/39/1064809839.db2.gz PJUSBFTUYOFKRF-QUCCMNQESA-N 1 3 370.541 2.769 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCN1C1CCCC1 ZINC001471826597 1064809844 /nfs/dbraw/zinc/80/98/44/1064809844.db2.gz PJUSBFTUYOFKRF-QUCCMNQESA-N 1 3 370.541 2.769 20 0 FFADHO CC(C)[C@H](CN)C[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001575422802 1078139794 /nfs/dbraw/zinc/13/97/94/1078139794.db2.gz MNRHMXJRDQIIKU-MRXNPFEDSA-N 1 3 357.539 2.613 20 0 FFADHO CC(C)[C@H](C[NH3+])CN1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001575422802 1078139796 /nfs/dbraw/zinc/13/97/96/1078139796.db2.gz MNRHMXJRDQIIKU-MRXNPFEDSA-N 1 3 357.539 2.613 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001474067672 1065450330 /nfs/dbraw/zinc/45/03/30/1065450330.db2.gz CLFZUEGTYYGQGD-VQTJNVASSA-N 1 3 368.481 2.736 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001474220208 1065472373 /nfs/dbraw/zinc/47/23/73/1065472373.db2.gz AGSZBQYEFYORRK-OAHLLOKOSA-N 1 3 355.429 2.644 20 0 FFADHO CCC[N@H+]1CC[C@@H](NCc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001474220208 1065472381 /nfs/dbraw/zinc/47/23/81/1065472381.db2.gz AGSZBQYEFYORRK-OAHLLOKOSA-N 1 3 355.429 2.644 20 0 FFADHO CC[NH2+][C@H](C)Cn1c(-c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577890585 1078411318 /nfs/dbraw/zinc/41/13/18/1078411318.db2.gz LOGOFRDVOSUERT-QGZVFWFLSA-N 1 3 370.545 2.864 20 0 FFADHO C[NH2+]C[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001578631657 1078506907 /nfs/dbraw/zinc/50/69/07/1078506907.db2.gz DMOFFDJJYZPMAV-INIZCTEOSA-N 1 3 362.566 2.712 20 0 FFADHO C[NH2+]CCCn1c(-c2ccccc2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001578694374 1078518485 /nfs/dbraw/zinc/51/84/85/1078518485.db2.gz QSDHLOWOTDPIPC-UHFFFAOYSA-N 1 3 370.545 2.784 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@H]3CCCC[C@@]3(C[NH3+])C2)cc1 ZINC001579198799 1078586700 /nfs/dbraw/zinc/58/67/00/1078586700.db2.gz BVVTZTBGLYWULB-SLYNCCJLSA-N 1 3 359.514 2.712 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001579453428 1078630763 /nfs/dbraw/zinc/63/07/63/1078630763.db2.gz DSZZBCJXMUKKEU-VXGBXAGGSA-N 1 3 354.285 2.909 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]C3CC(c4cccc(F)c4)C3)c2)nn1 ZINC001580349441 1078789660 /nfs/dbraw/zinc/78/96/60/1078789660.db2.gz YUVRETFIEWLCLA-UHFFFAOYSA-N 1 3 351.429 2.901 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001550266986 1074193877 /nfs/dbraw/zinc/19/38/77/1074193877.db2.gz BYUWWXJXWAJCGX-IEBWSBKVSA-N 1 3 356.514 2.628 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3cnn4c3CCCC4)[C@@H](O)C2)[C@H]1C(C)C ZINC001550353400 1074225542 /nfs/dbraw/zinc/22/55/42/1074225542.db2.gz LNIYLQZWEOTDDP-VYLCYAPGSA-N 1 3 360.546 2.740 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3cnn4c3CCCC4)[C@@H](O)C2)[C@H]1C(C)C ZINC001550353400 1074225548 /nfs/dbraw/zinc/22/55/48/1074225548.db2.gz LNIYLQZWEOTDDP-VYLCYAPGSA-N 1 3 360.546 2.740 20 0 FFADHO CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC001550363008 1074230663 /nfs/dbraw/zinc/23/06/63/1074230663.db2.gz UWAKLUIXNYEENR-MOPGFXCFSA-N 1 3 370.497 2.616 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(Cl)c(F)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423401 1074262125 /nfs/dbraw/zinc/26/21/25/1074262125.db2.gz MMSQHZAWEBSERY-HPFXQQBRSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(Cl)c(F)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423401 1074262130 /nfs/dbraw/zinc/26/21/30/1074262130.db2.gz MMSQHZAWEBSERY-HPFXQQBRSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(OC)cc3F)C2)[C@@H]1C(C)C ZINC001550423793 1074262503 /nfs/dbraw/zinc/26/25/03/1074262503.db2.gz RVCDRTGRDMPHIR-MUGJNUQGSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(OC)cc3F)C2)[C@@H]1C(C)C ZINC001550423793 1074262507 /nfs/dbraw/zinc/26/25/07/1074262507.db2.gz RVCDRTGRDMPHIR-MUGJNUQGSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3cnc(Cl)n3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550521722 1074330389 /nfs/dbraw/zinc/33/03/89/1074330389.db2.gz SZZWIJUMRRUZJH-WUAUYOTNSA-N 1 3 354.926 2.594 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3cnc(Cl)n3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550521722 1074330395 /nfs/dbraw/zinc/33/03/95/1074330395.db2.gz SZZWIJUMRRUZJH-WUAUYOTNSA-N 1 3 354.926 2.594 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3cnc(Cl)n3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550521723 1074330684 /nfs/dbraw/zinc/33/06/84/1074330684.db2.gz SZZWIJUMRRUZJH-XIZOUUALSA-N 1 3 354.926 2.594 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3cnc(Cl)n3C)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550521723 1074330693 /nfs/dbraw/zinc/33/06/93/1074330693.db2.gz SZZWIJUMRRUZJH-XIZOUUALSA-N 1 3 354.926 2.594 20 0 FFADHO Cc1noc([C@@H]2CCCO[C@@H]2C2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC001550549759 1074352876 /nfs/dbraw/zinc/35/28/76/1074352876.db2.gz YCTDQQLQZWFSMI-GUDVDZBRSA-N 1 3 362.518 2.837 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(Cl)cc2Cl)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550911795 1074528652 /nfs/dbraw/zinc/52/86/52/1074528652.db2.gz GDAOTAVVFAXWIW-NVXWUHKLSA-N 1 3 356.297 2.730 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001584080579 1079304294 /nfs/dbraw/zinc/30/42/94/1079304294.db2.gz FKGLAMZSXFKBKA-UHFFFAOYSA-N 1 3 353.510 2.995 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3cccc(F)c3)C[N@@H+]2C1 ZINC001584098898 1079306488 /nfs/dbraw/zinc/30/64/88/1079306488.db2.gz NIUYMOIOVIYBEJ-POAQFYNOSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3cccc(F)c3)C[N@H+]2C1 ZINC001584098898 1079306494 /nfs/dbraw/zinc/30/64/94/1079306494.db2.gz NIUYMOIOVIYBEJ-POAQFYNOSA-N 1 3 361.505 2.836 20 0 FFADHO CCN1CC[C@@H]2OCCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC001552061589 1074918228 /nfs/dbraw/zinc/91/82/28/1074918228.db2.gz AWLRREOFIAOIMW-RTWAWAEBSA-N 1 3 371.525 2.608 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC001552348040 1075063251 /nfs/dbraw/zinc/06/32/51/1075063251.db2.gz ULVMBYUTDDXAAJ-HOTGVXAUSA-N 1 3 364.559 2.731 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCN(Cc4ccccc4)[C@@H]3C)C[N@@H+]2C1 ZINC001556898967 1075786729 /nfs/dbraw/zinc/78/67/29/1075786729.db2.gz UTXKOIJRNJNUEA-XPSJOHQASA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCN(Cc4ccccc4)[C@@H]3C)C[N@H+]2C1 ZINC001556898967 1075786732 /nfs/dbraw/zinc/78/67/32/1075786732.db2.gz UTXKOIJRNJNUEA-XPSJOHQASA-N 1 3 355.526 2.886 20 0 FFADHO Cc1cc(O[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Cl ZINC001557450975 1075850377 /nfs/dbraw/zinc/85/03/77/1075850377.db2.gz RNVCVTMPIOFUAB-JKSUJKDBSA-N 1 3 369.937 2.804 20 0 FFADHO Cc1cc(O[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Cl ZINC001557450975 1075850382 /nfs/dbraw/zinc/85/03/82/1075850382.db2.gz RNVCVTMPIOFUAB-JKSUJKDBSA-N 1 3 369.937 2.804 20 0 FFADHO CC[C@H](CO)N1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001559573871 1076173961 /nfs/dbraw/zinc/17/39/61/1076173961.db2.gz NTNVQRSPBMHMTJ-HSZRJFAPSA-N 1 3 373.585 2.720 20 0 FFADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC001560396275 1076270464 /nfs/dbraw/zinc/27/04/64/1076270464.db2.gz UNSJZTVPNURZAA-OALUTQOASA-N 1 3 360.527 2.791 20 0 FFADHO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cc(-n3ccnc3)cs2)CC1 ZINC001560396275 1076270471 /nfs/dbraw/zinc/27/04/71/1076270471.db2.gz UNSJZTVPNURZAA-OALUTQOASA-N 1 3 360.527 2.791 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(=O)OC)c(C)c3)CC2)CC1 ZINC001560892814 1076306720 /nfs/dbraw/zinc/30/67/20/1076306720.db2.gz XZOXZVXYWAYEMU-UHFFFAOYSA-N 1 3 373.541 2.774 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(=O)OC)c(C)c3)CC2)CC1 ZINC001560892814 1076306721 /nfs/dbraw/zinc/30/67/21/1076306721.db2.gz XZOXZVXYWAYEMU-UHFFFAOYSA-N 1 3 373.541 2.774 20 0 FFADHO CCOC(=O)C1(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CCCC1 ZINC001561031948 1076323058 /nfs/dbraw/zinc/32/30/58/1076323058.db2.gz JJPKKHREXNMUAV-UHFFFAOYSA-N 1 3 352.519 2.733 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CC2)N(C)C)cc1 ZINC001564878014 1076666458 /nfs/dbraw/zinc/66/64/58/1076666458.db2.gz DJVOBMILLSSMQJ-LJQANCHMSA-N 1 3 360.546 2.881 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001565061981 1076681740 /nfs/dbraw/zinc/68/17/40/1076681740.db2.gz FXUNRRAWASGBJF-KRWDZBQOSA-N 1 3 350.551 2.909 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)N1CCCC1 ZINC001565904651 1076791594 /nfs/dbraw/zinc/79/15/94/1076791594.db2.gz LBGWJPNGXNQSPJ-KSZLIROESA-N 1 3 365.562 2.550 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001566551164 1076967789 /nfs/dbraw/zinc/96/77/89/1076967789.db2.gz JQJQRGCCHBQXNG-DLBZAZTESA-N 1 3 366.937 2.794 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2ccnc(Cl)c2)CC[N@H+]1C ZINC001566551164 1076967794 /nfs/dbraw/zinc/96/77/94/1076967794.db2.gz JQJQRGCCHBQXNG-DLBZAZTESA-N 1 3 366.937 2.794 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cc(C)ns2)CC(C)C)CC[N@@H+]1C ZINC001568328828 1077087147 /nfs/dbraw/zinc/08/71/47/1077087147.db2.gz KWAPZFBMOFSAHU-BPQIPLTHSA-N 1 3 366.575 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cc(C)ns2)CC(C)C)CC[N@H+]1C ZINC001568328828 1077087152 /nfs/dbraw/zinc/08/71/52/1077087152.db2.gz KWAPZFBMOFSAHU-BPQIPLTHSA-N 1 3 366.575 2.802 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC001568851929 1077114453 /nfs/dbraw/zinc/11/44/53/1077114453.db2.gz OXXLQVYLSMZWGZ-LMIZRQEKSA-N 1 3 369.431 2.808 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC001568851929 1077114454 /nfs/dbraw/zinc/11/44/54/1077114454.db2.gz OXXLQVYLSMZWGZ-LMIZRQEKSA-N 1 3 369.431 2.808 20 0 FFADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000420416838 514140222 /nfs/dbraw/zinc/14/02/22/514140222.db2.gz VYEUCOAUKHPLNP-VXGBXAGGSA-N 1 3 372.282 2.834 20 0 FFADHO CC[NH+](CC)CCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000092773860 250000667 /nfs/dbraw/zinc/00/06/67/250000667.db2.gz QXBSIUWVPBGKOV-UHFFFAOYSA-N 1 3 361.534 2.671 20 0 FFADHO C[N@H+](CCOc1cccc(CNCc2ccncc2)c1)C1CCOCC1 ZINC000102781517 250120155 /nfs/dbraw/zinc/12/01/55/250120155.db2.gz MWXZXLOAXGEFQC-UHFFFAOYSA-N 1 3 355.482 2.861 20 0 FFADHO C[N@@H+](CCOc1cccc(CNCc2ccncc2)c1)C1CCOCC1 ZINC000102781517 250120159 /nfs/dbraw/zinc/12/01/59/250120159.db2.gz MWXZXLOAXGEFQC-UHFFFAOYSA-N 1 3 355.482 2.861 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000267372928 251337722 /nfs/dbraw/zinc/33/77/22/251337722.db2.gz KKLBXKKAMCQCQM-GHTZIAJQSA-N 1 3 372.557 2.880 20 0 FFADHO COCCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000268807573 251390779 /nfs/dbraw/zinc/39/07/79/251390779.db2.gz CDDRIKOTDCEWNE-DENIHFKCSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)CCN1Cc1ccccc1 ZINC000268768977 251379291 /nfs/dbraw/zinc/37/92/91/251379291.db2.gz OZHJXEFPYWIZCE-UGKGYDQZSA-N 1 3 358.574 2.655 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272443234 252039685 /nfs/dbraw/zinc/03/96/85/252039685.db2.gz FCCGQOWRBDPYTQ-CEWLAPEOSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272443234 252039688 /nfs/dbraw/zinc/03/96/88/252039688.db2.gz FCCGQOWRBDPYTQ-CEWLAPEOSA-N 1 3 368.525 2.553 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000272454239 252042179 /nfs/dbraw/zinc/04/21/79/252042179.db2.gz NCVHSOUCWVMXFQ-RTWAWAEBSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272649670 252092986 /nfs/dbraw/zinc/09/29/86/252092986.db2.gz JXQNHXKLXRYNEC-FPOVZHCZSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000273471207 252312920 /nfs/dbraw/zinc/31/29/20/252312920.db2.gz ONCDGBQYRZXGJZ-YLJYHZDGSA-N 1 3 360.546 2.531 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277140172 256164868 /nfs/dbraw/zinc/16/48/68/256164868.db2.gz VNGGFKJIZBYGBK-IBGZPJMESA-N 1 3 373.545 2.777 20 0 FFADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCCN1C1CC1 ZINC000277913425 256254681 /nfs/dbraw/zinc/25/46/81/256254681.db2.gz VEORPFYLJJYFPE-HXUWFJFHSA-N 1 3 371.529 2.614 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000278478451 256317301 /nfs/dbraw/zinc/31/73/01/256317301.db2.gz KIOBCZXPCGRKOL-VWPQPMDRSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCCN1CCN(c2ccccc2)CC1 ZINC000286722140 257051692 /nfs/dbraw/zinc/05/16/92/257051692.db2.gz CLUBMWSLWCDBJV-IFMALSPDSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000286722140 257051693 /nfs/dbraw/zinc/05/16/93/257051693.db2.gz CLUBMWSLWCDBJV-IFMALSPDSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000286722140 257051694 /nfs/dbraw/zinc/05/16/94/257051694.db2.gz CLUBMWSLWCDBJV-IFMALSPDSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000286755399 257053406 /nfs/dbraw/zinc/05/34/06/257053406.db2.gz FNJPKXVNAOGRCW-CEMLEFRQSA-N 1 3 357.542 2.836 20 0 FFADHO CC(=O)NC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000287104257 257072137 /nfs/dbraw/zinc/07/21/37/257072137.db2.gz QFJIDWWKPFOGCW-OAADDMNDSA-N 1 3 355.526 2.934 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@H](c1ccccc1)N(C)C ZINC000288167111 257154794 /nfs/dbraw/zinc/15/47/94/257154794.db2.gz OYFLPHQVISUJQM-OJAHFUOMSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@H](c1ccccc1)N(C)C ZINC000288167111 257154795 /nfs/dbraw/zinc/15/47/95/257154795.db2.gz OYFLPHQVISUJQM-OJAHFUOMSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](O)c1ncc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)s1 ZINC000289262275 257270103 /nfs/dbraw/zinc/27/01/03/257270103.db2.gz MUABQLIEFWNPOM-KRWDZBQOSA-N 1 3 374.554 2.888 20 0 FFADHO [NH3+][C@H]1CCc2nc(NC(=O)C3CCN(Cc4ccccc4)CC3)sc2C1 ZINC000289663721 257292773 /nfs/dbraw/zinc/29/27/73/257292773.db2.gz CWBCKHFCRNYKFY-INIZCTEOSA-N 1 3 370.522 2.810 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNCc2c[nH]c3nccnc23)cc1 ZINC000290798649 257358258 /nfs/dbraw/zinc/35/82/58/257358258.db2.gz DYADSUJIHQMUCO-UHFFFAOYSA-N 1 3 353.470 2.968 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cn(C)nc2C(F)F)cc1 ZINC000291228275 257392632 /nfs/dbraw/zinc/39/26/32/257392632.db2.gz PLGBZHIVQUEUFS-UHFFFAOYSA-N 1 3 352.429 2.630 20 0 FFADHO CN(c1ccccc1CN1CC[C@H](n2cccn2)C1)C1CC[NH+](C)CC1 ZINC000291302320 257396833 /nfs/dbraw/zinc/39/68/33/257396833.db2.gz QTYXXQYQTMYKIB-FQEVSTJZSA-N 1 3 353.514 2.861 20 0 FFADHO Cc1noc(C2CCC([NH2+]Cc3ccnc(OCCN(C)C)c3)CC2)n1 ZINC000292285323 257479282 /nfs/dbraw/zinc/47/92/82/257479282.db2.gz UXDMVERKFUPFDI-UHFFFAOYSA-N 1 3 359.474 2.529 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000066196482 506446683 /nfs/dbraw/zinc/44/66/83/506446683.db2.gz NZTQDUFXNCQMBN-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000066196482 506446691 /nfs/dbraw/zinc/44/66/91/506446691.db2.gz NZTQDUFXNCQMBN-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cscc1Br ZINC000617507918 520546578 /nfs/dbraw/zinc/54/65/78/520546578.db2.gz OQSGNGVZTVTDAS-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cscc1Br ZINC000617507918 520546585 /nfs/dbraw/zinc/54/65/85/520546585.db2.gz OQSGNGVZTVTDAS-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066173617 506435093 /nfs/dbraw/zinc/43/50/93/506435093.db2.gz KGSLGCAQBPZREE-WOJBJXKFSA-N 1 3 356.514 2.703 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000043003859 506687217 /nfs/dbraw/zinc/68/72/17/506687217.db2.gz KBDXVBDCDOFQTI-UHFFFAOYSA-N 1 3 360.546 2.991 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000043292083 506730191 /nfs/dbraw/zinc/73/01/91/506730191.db2.gz YIIBJUKGHQWNCT-UHFFFAOYSA-N 1 3 358.530 2.697 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067608246 506948598 /nfs/dbraw/zinc/94/85/98/506948598.db2.gz AXHRXRMOFJHQQO-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000067608246 506948605 /nfs/dbraw/zinc/94/86/05/506948605.db2.gz AXHRXRMOFJHQQO-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000377559483 512326680 /nfs/dbraw/zinc/32/66/80/512326680.db2.gz CXNUJBFNJTXKMJ-SJLPKXTDSA-N 1 3 357.502 2.572 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000068887161 507350715 /nfs/dbraw/zinc/35/07/15/507350715.db2.gz SFEKKUIEPQQEIS-KRWDZBQOSA-N 1 3 350.551 2.672 20 0 FFADHO CCN(CC)CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000058879931 507475409 /nfs/dbraw/zinc/47/54/09/507475409.db2.gz MMJWKJHKLMJYET-UHFFFAOYSA-N 1 3 359.436 2.937 20 0 FFADHO CC1CCN(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000048220326 507483345 /nfs/dbraw/zinc/48/33/45/507483345.db2.gz HOEWTMDBFOJCHF-UHFFFAOYSA-N 1 3 358.530 2.814 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2CCOC)cc1)C1CC1 ZINC000069502473 507505674 /nfs/dbraw/zinc/50/56/74/507505674.db2.gz GVPKWLRALUYAEM-HXUWFJFHSA-N 1 3 359.514 2.512 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2CCOC)cc1)C1CC1 ZINC000069502473 507505677 /nfs/dbraw/zinc/50/56/77/507505677.db2.gz GVPKWLRALUYAEM-HXUWFJFHSA-N 1 3 359.514 2.512 20 0 FFADHO CC[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000048395067 507517433 /nfs/dbraw/zinc/51/74/33/507517433.db2.gz IYNFBYLIBXHUBX-HXUWFJFHSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)N1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000069732500 507546941 /nfs/dbraw/zinc/54/69/41/507546941.db2.gz FEQRUNHKHMPZFY-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO Cc1ccccc1C(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797480 507713441 /nfs/dbraw/zinc/71/34/41/507713441.db2.gz YTPGQTBPARPOAI-UHFFFAOYSA-N 1 3 357.542 2.947 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000050799050 507713868 /nfs/dbraw/zinc/71/38/68/507713868.db2.gz BNBJIESPMWDRPQ-UHFFFAOYSA-N 1 3 359.489 2.532 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000050799970 507714276 /nfs/dbraw/zinc/71/42/76/507714276.db2.gz VQRIFXOVKFYLPX-WOJBJXKFSA-N 1 3 359.489 2.604 20 0 FFADHO Cc1ccccc1C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761646 507783193 /nfs/dbraw/zinc/78/31/93/507783193.db2.gz YKFPFTUHUSJKEE-GOSISDBHSA-N 1 3 372.557 2.784 20 0 FFADHO COc1ccccc1[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759799 507783347 /nfs/dbraw/zinc/78/33/47/507783347.db2.gz QADQPNJLJLVIIP-MRXNPFEDSA-N 1 3 374.529 2.614 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N(C)C ZINC000106911809 507828333 /nfs/dbraw/zinc/82/83/33/507828333.db2.gz WFFVJKAZDPYZAK-MJGOQNOKSA-N 1 3 359.514 2.677 20 0 FFADHO C[C@@H](CC(=O)N1CCCCCC1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089594102 507848924 /nfs/dbraw/zinc/84/89/24/507848924.db2.gz KIMJRCWSOFSYPC-IBGZPJMESA-N 1 3 365.562 2.792 20 0 FFADHO CC1CCN(CCNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000107983069 507875032 /nfs/dbraw/zinc/87/50/32/507875032.db2.gz RUTSMCWARVWARQ-RTBURBONSA-N 1 3 352.567 2.776 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000108552579 507903305 /nfs/dbraw/zinc/90/33/05/507903305.db2.gz MIHXWVJSFAQQKC-LEWJYISDSA-N 1 3 370.541 2.607 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000108552579 507903307 /nfs/dbraw/zinc/90/33/07/507903307.db2.gz MIHXWVJSFAQQKC-LEWJYISDSA-N 1 3 370.541 2.607 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC000108568019 507905363 /nfs/dbraw/zinc/90/53/63/507905363.db2.gz JMRTYOONELGAFA-NHCUHLMSSA-N 1 3 370.541 2.915 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC000108568019 507905367 /nfs/dbraw/zinc/90/53/67/507905367.db2.gz JMRTYOONELGAFA-NHCUHLMSSA-N 1 3 370.541 2.915 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000073496440 507925838 /nfs/dbraw/zinc/92/58/38/507925838.db2.gz JVDWLTUEQQJHDT-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000073496440 507925841 /nfs/dbraw/zinc/92/58/41/507925841.db2.gz JVDWLTUEQQJHDT-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000073638497 507941387 /nfs/dbraw/zinc/94/13/87/507941387.db2.gz ONMRBRKUTFGSIW-UHFFFAOYSA-N 1 3 358.530 2.939 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091232242 507972267 /nfs/dbraw/zinc/97/22/67/507972267.db2.gz LBVNDUMYFDBKIO-UHFFFAOYSA-N 1 3 361.534 2.527 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000079577480 507978208 /nfs/dbraw/zinc/97/82/08/507978208.db2.gz PBKSNRTUGCNBHG-UHFFFAOYSA-N 1 3 364.509 2.775 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC000079599590 507980915 /nfs/dbraw/zinc/98/09/15/507980915.db2.gz RTZFGRWTHSOXRV-IRXDYDNUSA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC000079599590 507980918 /nfs/dbraw/zinc/98/09/18/507980918.db2.gz RTZFGRWTHSOXRV-IRXDYDNUSA-N 1 3 364.534 2.782 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C1CC1 ZINC000074200735 507997569 /nfs/dbraw/zinc/99/75/69/507997569.db2.gz HSOISASLVCIGBN-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C1CC1 ZINC000074200735 507997572 /nfs/dbraw/zinc/99/75/72/507997572.db2.gz HSOISASLVCIGBN-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000079985244 508023256 /nfs/dbraw/zinc/02/32/56/508023256.db2.gz QNXZXHGENYOQAK-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000092734269 508098078 /nfs/dbraw/zinc/09/80/78/508098078.db2.gz NLBYVYCWDHVWAU-FQEVSTJZSA-N 1 3 372.557 2.567 20 0 FFADHO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000092734269 508098081 /nfs/dbraw/zinc/09/80/81/508098081.db2.gz NLBYVYCWDHVWAU-FQEVSTJZSA-N 1 3 372.557 2.567 20 0 FFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000111661075 508113993 /nfs/dbraw/zinc/11/39/93/508113993.db2.gz FMWFONZJQJHZEB-OAQYLSRUSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000111827327 508127240 /nfs/dbraw/zinc/12/72/40/508127240.db2.gz HTMOSIIMCVVTGH-FQEVSTJZSA-N 1 3 358.530 2.823 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000093866137 508158177 /nfs/dbraw/zinc/15/81/77/508158177.db2.gz ZGDJEDWLYZYENQ-OAQYLSRUSA-N 1 3 366.509 2.877 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000093866137 508158179 /nfs/dbraw/zinc/15/81/79/508158179.db2.gz ZGDJEDWLYZYENQ-OAQYLSRUSA-N 1 3 366.509 2.877 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)CC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000112746942 508219764 /nfs/dbraw/zinc/21/97/64/508219764.db2.gz WDXGVUYNHWAGKB-FQEVSTJZSA-N 1 3 358.530 2.869 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000085390497 508304998 /nfs/dbraw/zinc/30/49/98/508304998.db2.gz RJCFRQWWIYPIER-IPMKNSEASA-N 1 3 352.567 2.725 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1)C(C)C ZINC000114379037 508308557 /nfs/dbraw/zinc/30/85/57/508308557.db2.gz UWXGLVOTKNYNNO-IBGZPJMESA-N 1 3 374.573 2.530 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1)C(C)C ZINC000114379037 508308559 /nfs/dbraw/zinc/30/85/59/508308559.db2.gz UWXGLVOTKNYNNO-IBGZPJMESA-N 1 3 374.573 2.530 20 0 FFADHO CC[C@H](O)[C@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000114458716 508316640 /nfs/dbraw/zinc/31/66/40/508316640.db2.gz BXGBFEUCXSWNOU-RTWAWAEBSA-N 1 3 373.541 2.524 20 0 FFADHO CC(C)N(Cc1cccnc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103613048 508319110 /nfs/dbraw/zinc/31/91/10/508319110.db2.gz YQMYQLZRQUALNQ-UHFFFAOYSA-N 1 3 373.545 2.560 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129807 508362429 /nfs/dbraw/zinc/36/24/29/508362429.db2.gz SFWCWRJHYPZKOM-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129807 508362430 /nfs/dbraw/zinc/36/24/30/508362430.db2.gz SFWCWRJHYPZKOM-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ncc(-c2ccccc2)o1 ZINC000077844885 508384483 /nfs/dbraw/zinc/38/44/83/508384483.db2.gz APSYPATXGSKUMW-MRXNPFEDSA-N 1 3 373.501 2.537 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000115435355 508394286 /nfs/dbraw/zinc/39/42/86/508394286.db2.gz OCWOMCWIZBATLQ-LJQANCHMSA-N 1 3 372.557 2.631 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000115435355 508394287 /nfs/dbraw/zinc/39/42/87/508394287.db2.gz OCWOMCWIZBATLQ-LJQANCHMSA-N 1 3 372.557 2.631 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)N(C)C)cc1 ZINC000106547484 508402023 /nfs/dbraw/zinc/40/20/23/508402023.db2.gz OLHHGHIGSQOBIY-AZUAARDMSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)N(C)C)cc1 ZINC000106547484 508402024 /nfs/dbraw/zinc/40/20/24/508402024.db2.gz OLHHGHIGSQOBIY-AZUAARDMSA-N 1 3 358.530 2.914 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000106551009 508402246 /nfs/dbraw/zinc/40/22/46/508402246.db2.gz LMXIAVUIFZFYOA-FQEVSTJZSA-N 1 3 374.504 2.671 20 0 FFADHO O=c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)nc2ccccn12 ZINC000121838764 508429672 /nfs/dbraw/zinc/42/96/72/508429672.db2.gz SXYOJEWRNQPEFD-UHFFFAOYSA-N 1 3 354.498 2.783 20 0 FFADHO Cc1cccc([C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(F)(F)F)c1 ZINC000133664337 508431977 /nfs/dbraw/zinc/43/19/77/508431977.db2.gz SWCVPILRVYFKFS-INIZCTEOSA-N 1 3 374.451 2.733 20 0 FFADHO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000152452206 508449347 /nfs/dbraw/zinc/44/93/47/508449347.db2.gz QTOZQYJVQIRFQV-VQIMIIECSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000133866694 508460877 /nfs/dbraw/zinc/46/08/77/508460877.db2.gz GAVYWYOSRKZFLB-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)(N2CCCCC2)CC1 ZINC000121995366 508463554 /nfs/dbraw/zinc/46/35/54/508463554.db2.gz FRTYNGNYGKODKX-AQNXPRMDSA-N 1 3 361.574 2.874 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000134001093 508479397 /nfs/dbraw/zinc/47/93/97/508479397.db2.gz QEGUQQLVWBIHEY-FUHWJXTLSA-N 1 3 369.431 2.651 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000127959246 508527966 /nfs/dbraw/zinc/52/79/66/508527966.db2.gz LIYXKSDLSIVQCU-HXUWFJFHSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153351390 508574405 /nfs/dbraw/zinc/57/44/05/508574405.db2.gz BPQCRPQKLNLWKM-MISYRCLQSA-N 1 3 355.526 2.888 20 0 FFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c1C ZINC000128363736 508582924 /nfs/dbraw/zinc/58/29/24/508582924.db2.gz DPKKUADSRXUISU-GOSISDBHSA-N 1 3 360.546 2.638 20 0 FFADHO CCOc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000157621968 508588917 /nfs/dbraw/zinc/58/89/17/508588917.db2.gz HCDVTAMNCCNEIO-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO CCOc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000157621968 508588920 /nfs/dbraw/zinc/58/89/20/508588920.db2.gz HCDVTAMNCCNEIO-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc(Br)c1[O-] ZINC000135561577 508624012 /nfs/dbraw/zinc/62/40/12/508624012.db2.gz IVEFBYQNNMTJLN-UHFFFAOYSA-N 1 3 357.292 2.985 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000123038168 508625872 /nfs/dbraw/zinc/62/58/72/508625872.db2.gz ZGSRJQKOGOJLLB-HKUYNNGSSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000123038168 508625876 /nfs/dbraw/zinc/62/58/76/508625876.db2.gz ZGSRJQKOGOJLLB-HKUYNNGSSA-N 1 3 362.562 2.909 20 0 FFADHO CC(=O)c1cccc(OC[C@@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123112867 508638613 /nfs/dbraw/zinc/63/86/13/508638613.db2.gz BINPUZMGRYIGNU-FQEVSTJZSA-N 1 3 362.514 2.683 20 0 FFADHO C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000158130073 508660879 /nfs/dbraw/zinc/66/08/79/508660879.db2.gz QUIKTGXODLRAGZ-AVRDEDQJSA-N 1 3 355.526 2.542 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000136376779 508690912 /nfs/dbraw/zinc/69/09/12/508690912.db2.gz RTGGNJRRGVJZTB-UHFFFAOYSA-N 1 3 353.869 2.768 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000119125094 508730897 /nfs/dbraw/zinc/73/08/97/508730897.db2.gz GNULIXUSXBTVND-VQIMIIECSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000139221517 508785021 /nfs/dbraw/zinc/78/50/21/508785021.db2.gz LNWOPXIRZHDRHR-OAGGEKHMSA-N 1 3 360.502 2.777 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000159048443 508786034 /nfs/dbraw/zinc/78/60/34/508786034.db2.gz NMOHCAVAMHMQEZ-AWEZNQCLSA-N 1 3 368.909 2.543 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CN1C1CC1 ZINC000119448880 508798660 /nfs/dbraw/zinc/79/86/60/508798660.db2.gz SHXXEDHFIXVXFE-APWZRJJASA-N 1 3 356.514 2.707 20 0 FFADHO CC[NH+]1CCC(NC(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000142216699 508822420 /nfs/dbraw/zinc/82/24/20/508822420.db2.gz GGDFVMNHXFKTHS-UHFFFAOYSA-N 1 3 364.559 2.744 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](c3ccccc3)C3CC3)CC2)CC1 ZINC000131075977 508884151 /nfs/dbraw/zinc/88/41/51/508884151.db2.gz WPSHYFXRVQSWCS-OAQYLSRUSA-N 1 3 355.526 2.855 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1CC(F)(F)F ZINC000120204538 508949897 /nfs/dbraw/zinc/94/98/97/508949897.db2.gz NCGXHZCELFSHOC-UHFFFAOYSA-N 1 3 360.424 2.749 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000155525380 509019328 /nfs/dbraw/zinc/01/93/28/509019328.db2.gz CAFMUKZUCBOPAX-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCc2cnn(C)c2)CC1 ZINC000151875674 509101872 /nfs/dbraw/zinc/10/18/72/509101872.db2.gz BVIQDXCBMPANEL-UHFFFAOYSA-N 1 3 355.530 2.675 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)C1 ZINC000182349198 509187734 /nfs/dbraw/zinc/18/77/34/509187734.db2.gz MYBSQNQXOKABHA-YRPNKDGESA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)C1 ZINC000182349198 509187741 /nfs/dbraw/zinc/18/77/41/509187741.db2.gz MYBSQNQXOKABHA-YRPNKDGESA-N 1 3 364.578 2.870 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC000195720271 509217737 /nfs/dbraw/zinc/21/77/37/509217737.db2.gz COHOXZUEKREIGY-UHFFFAOYSA-N 1 3 350.551 2.770 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248045149 509224323 /nfs/dbraw/zinc/22/43/23/509224323.db2.gz MRZQZKCAYNSBJU-ZCNNSNEGSA-N 1 3 358.530 2.948 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248045149 509224327 /nfs/dbraw/zinc/22/43/27/509224327.db2.gz MRZQZKCAYNSBJU-ZCNNSNEGSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248391013 509287832 /nfs/dbraw/zinc/28/78/32/509287832.db2.gz BSOFYXCWEPPLJO-CWJKEVGVSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248391013 509287837 /nfs/dbraw/zinc/28/78/37/509287837.db2.gz BSOFYXCWEPPLJO-CWJKEVGVSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248391013 509287842 /nfs/dbraw/zinc/28/78/42/509287842.db2.gz BSOFYXCWEPPLJO-CWJKEVGVSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]([C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)N1CCOCC1 ZINC000248415640 509306352 /nfs/dbraw/zinc/30/63/52/509306352.db2.gz OLKBIVJGZHIRSM-QRKBLAFPSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H]([C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)N1CCOCC1 ZINC000248415640 509306360 /nfs/dbraw/zinc/30/63/60/509306360.db2.gz OLKBIVJGZHIRSM-QRKBLAFPSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H]([C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)N1CCOCC1 ZINC000248415640 509306364 /nfs/dbraw/zinc/30/63/64/509306364.db2.gz OLKBIVJGZHIRSM-QRKBLAFPSA-N 1 3 357.542 2.596 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000248572480 509372340 /nfs/dbraw/zinc/37/23/40/509372340.db2.gz NAGXVMOMLZOCHE-HKUYNNGSSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000248572480 509372349 /nfs/dbraw/zinc/37/23/49/509372349.db2.gz NAGXVMOMLZOCHE-HKUYNNGSSA-N 1 3 373.545 2.775 20 0 FFADHO CN(Cc1cc(Br)c2c(c1)OCCO2)CC1CC[NH+](C)CC1 ZINC000179447718 509449663 /nfs/dbraw/zinc/44/96/63/509449663.db2.gz SEFUFFBLCRZLKP-UHFFFAOYSA-N 1 3 369.303 2.994 20 0 FFADHO CN1CCC(C[N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000179447718 509449670 /nfs/dbraw/zinc/44/96/70/509449670.db2.gz SEFUFFBLCRZLKP-UHFFFAOYSA-N 1 3 369.303 2.994 20 0 FFADHO CN1CCC(C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000179447718 509449678 /nfs/dbraw/zinc/44/96/78/509449678.db2.gz SEFUFFBLCRZLKP-UHFFFAOYSA-N 1 3 369.303 2.994 20 0 FFADHO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000185960921 509450835 /nfs/dbraw/zinc/45/08/35/509450835.db2.gz LUFRWSZLAOMNHY-LJQANCHMSA-N 1 3 372.900 2.638 20 0 FFADHO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000164041093 509456412 /nfs/dbraw/zinc/45/64/12/509456412.db2.gz WVICTSNFHBMBQX-ROUUACIJSA-N 1 3 361.555 2.835 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189213632 509465265 /nfs/dbraw/zinc/46/52/65/509465265.db2.gz MUAVUAIRWGSCDY-QGZVFWFLSA-N 1 3 372.513 2.665 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189213632 509465271 /nfs/dbraw/zinc/46/52/71/509465271.db2.gz MUAVUAIRWGSCDY-QGZVFWFLSA-N 1 3 372.513 2.665 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCN1CCc2ccccc2C1 ZINC000176398798 509487765 /nfs/dbraw/zinc/48/77/65/509487765.db2.gz GNLGTHJQMCICSH-RTWAWAEBSA-N 1 3 370.541 2.703 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCN1CCc2ccccc2C1 ZINC000176398798 509487770 /nfs/dbraw/zinc/48/77/70/509487770.db2.gz GNLGTHJQMCICSH-RTWAWAEBSA-N 1 3 370.541 2.703 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)C[NH+]1CCCC1 ZINC000176427507 509504883 /nfs/dbraw/zinc/50/48/83/509504883.db2.gz JHJWRFORVAVMHJ-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000236826473 509511277 /nfs/dbraw/zinc/51/12/77/509511277.db2.gz HOFSAVWCTYSQOV-SFTDATJTSA-N 1 3 369.509 2.937 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248855667 509513867 /nfs/dbraw/zinc/51/38/67/509513867.db2.gz PFUVIBBFPJTURR-UMGGQSCQSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248855667 509513871 /nfs/dbraw/zinc/51/38/71/509513871.db2.gz PFUVIBBFPJTURR-UMGGQSCQSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000164611603 509518892 /nfs/dbraw/zinc/51/88/92/509518892.db2.gz KIMCPMMXXDPIRN-OXJNMPFZSA-N 1 3 355.482 2.579 20 0 FFADHO Cc1nc2n(n1)C[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036168 509577867 /nfs/dbraw/zinc/57/78/67/509577867.db2.gz SQAXVAFMTZXDQY-LWYYNNOASA-N 1 3 351.498 2.687 20 0 FFADHO Cc1nc2n(n1)C[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000249036168 509577868 /nfs/dbraw/zinc/57/78/68/509577868.db2.gz SQAXVAFMTZXDQY-LWYYNNOASA-N 1 3 351.498 2.687 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(OCCN(C)C)cc1 ZINC000166459999 509607940 /nfs/dbraw/zinc/60/79/40/509607940.db2.gz RJLKCGYIWDZUOA-HKUYNNGSSA-N 1 3 371.529 2.680 20 0 FFADHO CC(C)[NH+]1CCN(CCCN(C)Cc2ccc(Br)o2)CC1 ZINC000192717569 509612347 /nfs/dbraw/zinc/61/23/47/509612347.db2.gz RGJHPHBOONGXJJ-UHFFFAOYSA-N 1 3 358.324 2.890 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000249129005 509615523 /nfs/dbraw/zinc/61/55/23/509615523.db2.gz DFJGUNUQOMMAGI-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000249129005 509615528 /nfs/dbraw/zinc/61/55/28/509615528.db2.gz DFJGUNUQOMMAGI-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000237332547 509624497 /nfs/dbraw/zinc/62/44/97/509624497.db2.gz MOSLZCXSNSHGNE-WIYYLYMNSA-N 1 3 357.542 2.788 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000249421514 509676850 /nfs/dbraw/zinc/67/68/50/509676850.db2.gz HQZDKPOXLMKOCU-IVDHNXQLSA-N 1 3 367.578 2.796 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000249431604 509679353 /nfs/dbraw/zinc/67/93/53/509679353.db2.gz JTHIMLIMYPBKKP-FHWLQOOXSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237917262 509774078 /nfs/dbraw/zinc/77/40/78/509774078.db2.gz IRQBIKZEROUKCW-SFTDATJTSA-N 1 3 351.494 2.991 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000180160769 509786469 /nfs/dbraw/zinc/78/64/69/509786469.db2.gz WICKEVMULITIKK-IYBDPMFKSA-N 1 3 365.484 2.882 20 0 FFADHO C[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)N1CCCCCC1 ZINC000186617949 509804692 /nfs/dbraw/zinc/80/46/92/509804692.db2.gz VHPAAUMPUKQQCX-UYAOXDASSA-N 1 3 358.530 2.817 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H](CN4CCCCC4)C3)c2cc1C ZINC000173878297 509830489 /nfs/dbraw/zinc/83/04/89/509830489.db2.gz JQOLXMIKPASFAC-WOJBJXKFSA-N 1 3 370.541 2.822 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@H](CN4CCCCC4)C3)c2cc1C ZINC000173878297 509830498 /nfs/dbraw/zinc/83/04/98/509830498.db2.gz JQOLXMIKPASFAC-WOJBJXKFSA-N 1 3 370.541 2.822 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000252104937 509830525 /nfs/dbraw/zinc/83/05/25/509830525.db2.gz GWAMNSIZHPOAAP-AZUAARDMSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000252104937 509830533 /nfs/dbraw/zinc/83/05/33/509830533.db2.gz GWAMNSIZHPOAAP-AZUAARDMSA-N 1 3 360.546 2.723 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCc2occc21 ZINC000173950789 509872539 /nfs/dbraw/zinc/87/25/39/509872539.db2.gz SJWNOBLECKYXPV-SJLPKXTDSA-N 1 3 362.518 2.715 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCc2occc21 ZINC000173950789 509872543 /nfs/dbraw/zinc/87/25/43/509872543.db2.gz SJWNOBLECKYXPV-SJLPKXTDSA-N 1 3 362.518 2.715 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000177142872 509897881 /nfs/dbraw/zinc/89/78/81/509897881.db2.gz FALKVGKJASEITE-AEFFLSMTSA-N 1 3 359.514 2.762 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@H](N2CCCC2)C1)[NH+]1CCCC1 ZINC000171035038 509901256 /nfs/dbraw/zinc/90/12/56/509901256.db2.gz PJMQAZMGWOCNCV-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CSc1cc2c(cc1CNCC1(O)CC[NH+](C(C)C)CC1)OCCO2 ZINC000268397437 509905748 /nfs/dbraw/zinc/90/57/48/509905748.db2.gz ASCJEBDBUPDIAQ-UHFFFAOYSA-N 1 3 366.527 2.505 20 0 FFADHO CS(=O)(=O)CCCCC[NH2+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186855685 509915542 /nfs/dbraw/zinc/91/55/42/509915542.db2.gz GECVTMDDRVBBRP-AABGKKOBSA-N 1 3 364.555 2.702 20 0 FFADHO CCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OCC ZINC000268422575 509920091 /nfs/dbraw/zinc/92/00/91/509920091.db2.gz MHIQSPXGKRJTQM-UHFFFAOYSA-N 1 3 350.503 2.809 20 0 FFADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)c(OC(F)F)c1 ZINC000268435077 509927680 /nfs/dbraw/zinc/92/76/80/509927680.db2.gz QCQFWWZWFRLQQU-UHFFFAOYSA-N 1 3 358.429 2.622 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174160021 509976310 /nfs/dbraw/zinc/97/63/10/509976310.db2.gz WKLOWUPHKHBLOT-TZIWHRDSSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC000177301915 509987072 /nfs/dbraw/zinc/98/70/72/509987072.db2.gz WYOWNFFNVJDJAX-LAUBAEHRSA-N 1 3 370.541 2.823 20 0 FFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261750506 510050020 /nfs/dbraw/zinc/05/00/20/510050020.db2.gz DTHLDFWVHOLKAZ-HXUWFJFHSA-N 1 3 361.530 2.679 20 0 FFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261750506 510050024 /nfs/dbraw/zinc/05/00/24/510050024.db2.gz DTHLDFWVHOLKAZ-HXUWFJFHSA-N 1 3 361.530 2.679 20 0 FFADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183952826 510054291 /nfs/dbraw/zinc/05/42/91/510054291.db2.gz QGIJRECKCVWUQB-MRXNPFEDSA-N 1 3 367.559 2.710 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Cc4ccccc4)CC3)CC2)CC1 ZINC000177448506 510065198 /nfs/dbraw/zinc/06/51/98/510065198.db2.gz VLJLUEIULUZVJI-UHFFFAOYSA-N 1 3 355.526 2.684 20 0 FFADHO CNC(=O)c1cccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177499399 510097553 /nfs/dbraw/zinc/09/75/53/510097553.db2.gz HGOLSCCTDGPFMW-HDICACEKSA-N 1 3 373.541 2.758 20 0 FFADHO CNC(=O)c1cccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177499399 510097560 /nfs/dbraw/zinc/09/75/60/510097560.db2.gz HGOLSCCTDGPFMW-HDICACEKSA-N 1 3 373.541 2.758 20 0 FFADHO c1csc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)CC2)c1 ZINC000261923461 510118604 /nfs/dbraw/zinc/11/86/04/510118604.db2.gz KRNJWYPGACKTDL-AQNXPRMDSA-N 1 3 363.571 2.707 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180870843 510154752 /nfs/dbraw/zinc/15/47/52/510154752.db2.gz HBEMGXVPPSMVIN-RTWAWAEBSA-N 1 3 373.541 2.522 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180870843 510154758 /nfs/dbraw/zinc/15/47/58/510154758.db2.gz HBEMGXVPPSMVIN-RTWAWAEBSA-N 1 3 373.541 2.522 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CN1C1CC1 ZINC000177605820 510156873 /nfs/dbraw/zinc/15/68/73/510156873.db2.gz RHCUWBBCLKXCAI-QFBILLFUSA-N 1 3 356.514 2.707 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000245862419 510174937 /nfs/dbraw/zinc/17/49/37/510174937.db2.gz FOWPCHQBRBDAKZ-CEXWTWQISA-N 1 3 367.578 2.845 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000245862419 510174944 /nfs/dbraw/zinc/17/49/44/510174944.db2.gz FOWPCHQBRBDAKZ-CEXWTWQISA-N 1 3 367.578 2.845 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245894435 510193492 /nfs/dbraw/zinc/19/34/92/510193492.db2.gz DEZKXYMSDNGJNJ-GUDVDZBRSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN(C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000265777292 510225322 /nfs/dbraw/zinc/22/53/22/510225322.db2.gz URUUSQBOZHIOKW-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN(C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000265777292 510225330 /nfs/dbraw/zinc/22/53/30/510225330.db2.gz URUUSQBOZHIOKW-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000181050271 510256820 /nfs/dbraw/zinc/25/68/20/510256820.db2.gz KXNHYSDHUZQNFT-GOSISDBHSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000246038483 510260111 /nfs/dbraw/zinc/26/01/11/510260111.db2.gz NHJFHKKOLISWGB-APWZRJJASA-N 1 3 350.528 2.585 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000174709257 510264733 /nfs/dbraw/zinc/26/47/33/510264733.db2.gz XJLVEFIHBIAIFL-GIVPXCGWSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000174709257 510264738 /nfs/dbraw/zinc/26/47/38/510264738.db2.gz XJLVEFIHBIAIFL-GIVPXCGWSA-N 1 3 372.557 2.675 20 0 FFADHO CC(=O)c1c(C)cc(C)c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000171658421 510287970 /nfs/dbraw/zinc/28/79/70/510287970.db2.gz GHDCFWHDBJADPM-UHFFFAOYSA-N 1 3 373.541 2.704 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000269275718 510320239 /nfs/dbraw/zinc/32/02/39/510320239.db2.gz WGTWPDIIHYNTST-UWJYYQICSA-N 1 3 369.509 2.622 20 0 FFADHO CCC[C@@](C)([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000262707267 510379128 /nfs/dbraw/zinc/37/91/28/510379128.db2.gz NGPCNTGWWNIBAE-LJQANCHMSA-N 1 3 367.921 2.817 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000174939557 510397370 /nfs/dbraw/zinc/39/73/70/510397370.db2.gz XSFWQWVGKZYVSS-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000174939557 510397373 /nfs/dbraw/zinc/39/73/73/510397373.db2.gz XSFWQWVGKZYVSS-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1(C)C ZINC000262802223 510418160 /nfs/dbraw/zinc/41/81/60/510418160.db2.gz RKHMUXPIAXYWQU-KPLVRAHFSA-N 1 3 373.541 2.642 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1(C)C ZINC000262802223 510418167 /nfs/dbraw/zinc/41/81/67/510418167.db2.gz RKHMUXPIAXYWQU-KPLVRAHFSA-N 1 3 373.541 2.642 20 0 FFADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1(C)C ZINC000262811295 510421820 /nfs/dbraw/zinc/42/18/20/510421820.db2.gz VEIQYNHYTKEHOY-JQVVWYNYSA-N 1 3 373.541 2.690 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1(C)C ZINC000262818572 510425818 /nfs/dbraw/zinc/42/58/18/510425818.db2.gz XIQNXHADTUWESG-DENIHFKCSA-N 1 3 373.541 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246330638 510429301 /nfs/dbraw/zinc/42/93/01/510429301.db2.gz XTIKGGGMHBHTSI-GPQLQYNLSA-N 1 3 359.558 2.986 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@H]2CSCCN2)cc1 ZINC000246347032 510440147 /nfs/dbraw/zinc/44/01/47/510440147.db2.gz WHRWJIUVIWMVOG-LPHOPBHVSA-N 1 3 361.555 2.772 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]2CSCCN2)cc1 ZINC000246347032 510440150 /nfs/dbraw/zinc/44/01/50/510440150.db2.gz WHRWJIUVIWMVOG-LPHOPBHVSA-N 1 3 361.555 2.772 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000194641762 510459272 /nfs/dbraw/zinc/45/92/72/510459272.db2.gz OICWQSSHFBAWHL-KRWDZBQOSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c2cccs2)CCO1 ZINC000246488489 510516068 /nfs/dbraw/zinc/51/60/68/510516068.db2.gz RTANUSRINFLEMG-DUQPFJRNSA-N 1 3 351.560 2.828 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246497165 510521806 /nfs/dbraw/zinc/52/18/06/510521806.db2.gz RXLSQENJHUSHBR-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246497165 510521812 /nfs/dbraw/zinc/52/18/12/510521812.db2.gz RXLSQENJHUSHBR-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246497190 510522063 /nfs/dbraw/zinc/52/20/63/510522063.db2.gz RXLSQENJHUSHBR-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246497190 510522065 /nfs/dbraw/zinc/52/20/65/510522065.db2.gz RXLSQENJHUSHBR-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000175410547 510632816 /nfs/dbraw/zinc/63/28/16/510632816.db2.gz ANAMNQIHLLJZCR-QGZVFWFLSA-N 1 3 366.575 2.991 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000175410547 510632827 /nfs/dbraw/zinc/63/28/27/510632827.db2.gz ANAMNQIHLLJZCR-QGZVFWFLSA-N 1 3 366.575 2.991 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cccc1OC ZINC000195052881 510648437 /nfs/dbraw/zinc/64/84/37/510648437.db2.gz CHZCGJYDPKHPPB-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cccc1OC ZINC000195052881 510648442 /nfs/dbraw/zinc/64/84/42/510648442.db2.gz CHZCGJYDPKHPPB-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4ncsc4c3)CC2)CC1 ZINC000195343196 510794368 /nfs/dbraw/zinc/79/43/68/510794368.db2.gz ORINXWTYFZJUJU-UHFFFAOYSA-N 1 3 373.526 2.976 20 0 FFADHO CC(=O)Nc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000182173666 510794929 /nfs/dbraw/zinc/79/49/29/510794929.db2.gz BJQFKNQIKVJQQI-HNNXBMFYSA-N 1 3 356.470 2.831 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000195378427 510805508 /nfs/dbraw/zinc/80/55/08/510805508.db2.gz OASOKHQVJMSADB-UHFFFAOYSA-N 1 3 364.509 2.775 20 0 FFADHO CCN1CC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247139881 510843999 /nfs/dbraw/zinc/84/39/99/510843999.db2.gz SEDZOIKXKMAVHT-RBBKRZOGSA-N 1 3 358.574 2.909 20 0 FFADHO CCN1CC[C@H]2OCCN(C(=O)c3ccc(C[N@H+](CC)C(C)C)cc3)[C@H]2C1 ZINC000293902713 510893419 /nfs/dbraw/zinc/89/34/19/510893419.db2.gz MWXBUFUZEJJCAW-LEWJYISDSA-N 1 3 373.541 2.852 20 0 FFADHO CCN1CC[C@H]2OCCN(C(=O)c3ccc(C[N@@H+](CC)C(C)C)cc3)[C@H]2C1 ZINC000293902713 510893423 /nfs/dbraw/zinc/89/34/23/510893423.db2.gz MWXBUFUZEJJCAW-LEWJYISDSA-N 1 3 373.541 2.852 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285528714 510944075 /nfs/dbraw/zinc/94/40/75/510944075.db2.gz GUKGHXUCDJRNBM-CRAIPNDOSA-N 1 3 372.538 2.556 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000285528714 510944082 /nfs/dbraw/zinc/94/40/82/510944082.db2.gz GUKGHXUCDJRNBM-CRAIPNDOSA-N 1 3 372.538 2.556 20 0 FFADHO COCC[N@H+](C)CCCN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285616256 510979092 /nfs/dbraw/zinc/97/90/92/510979092.db2.gz KLRYBYQIKDVYFH-NRFANRHFSA-N 1 3 357.498 2.932 20 0 FFADHO COCC[N@@H+](C)CCCN[C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285616256 510979095 /nfs/dbraw/zinc/97/90/95/510979095.db2.gz KLRYBYQIKDVYFH-NRFANRHFSA-N 1 3 357.498 2.932 20 0 FFADHO CC(=O)Nc1cccc(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC000270952413 511036272 /nfs/dbraw/zinc/03/62/72/511036272.db2.gz SYBQHVUFJHTFEW-UHFFFAOYSA-N 1 3 358.530 2.635 20 0 FFADHO Cc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(-c2cnn(C)c2)c1 ZINC000282646671 511058999 /nfs/dbraw/zinc/05/89/99/511058999.db2.gz LNRYGXXHMXTRBA-YADHBBJMSA-N 1 3 368.525 2.863 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000297759532 511060167 /nfs/dbraw/zinc/06/01/67/511060167.db2.gz KQEQCTHLOZMNPR-RAFMOHDBSA-N 1 3 358.530 2.776 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000297759532 511060171 /nfs/dbraw/zinc/06/01/71/511060171.db2.gz KQEQCTHLOZMNPR-RAFMOHDBSA-N 1 3 358.530 2.776 20 0 FFADHO CCOc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc(Cl)c1[O-] ZINC000297775755 511064062 /nfs/dbraw/zinc/06/40/62/511064062.db2.gz VXHUYIKOEARZLE-UHFFFAOYSA-N 1 3 355.910 2.560 20 0 FFADHO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000271456801 511211058 /nfs/dbraw/zinc/21/10/58/511211058.db2.gz GTYZDOBKGAPLFQ-QGZVFWFLSA-N 1 3 350.503 2.863 20 0 FFADHO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000279808039 511222379 /nfs/dbraw/zinc/22/23/79/511222379.db2.gz OEJJZDRDXGPDAW-IBGZPJMESA-N 1 3 372.557 2.565 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000271508697 511228098 /nfs/dbraw/zinc/22/80/98/511228098.db2.gz NJIBHKHOCXOQAM-PVSGBFIBSA-N 1 3 371.569 2.864 20 0 FFADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000296084346 511614357 /nfs/dbraw/zinc/61/43/57/511614357.db2.gz XORZREYRTUCHEC-JZIBPQBNSA-N 1 3 358.454 2.959 20 0 FFADHO COc1ccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000299450786 511640728 /nfs/dbraw/zinc/64/07/28/511640728.db2.gz JNOQURHEMKPMTG-INIZCTEOSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000303045833 511726327 /nfs/dbraw/zinc/72/63/27/511726327.db2.gz IAYIFQTUSZQVOM-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311830529 511780729 /nfs/dbraw/zinc/78/07/29/511780729.db2.gz PAZHGHDNTJXIPT-SESVDKBCSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311830529 511780732 /nfs/dbraw/zinc/78/07/32/511780732.db2.gz PAZHGHDNTJXIPT-SESVDKBCSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311830529 511780736 /nfs/dbraw/zinc/78/07/36/511780736.db2.gz PAZHGHDNTJXIPT-SESVDKBCSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc(OCCN(C)C)c1 ZINC000274328304 511796956 /nfs/dbraw/zinc/79/69/56/511796956.db2.gz AJFJBALMFGFTGZ-HNNXBMFYSA-N 1 3 360.527 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000296915314 511948312 /nfs/dbraw/zinc/94/83/12/511948312.db2.gz FJVCQRYBWPKCKK-OTYNDTSQSA-N 1 3 370.541 2.821 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000296915314 511948317 /nfs/dbraw/zinc/94/83/17/511948317.db2.gz FJVCQRYBWPKCKK-OTYNDTSQSA-N 1 3 370.541 2.821 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274947709 511996710 /nfs/dbraw/zinc/99/67/10/511996710.db2.gz URRHKCQUELLVNX-RBBKRZOGSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000364187773 512008646 /nfs/dbraw/zinc/00/86/46/512008646.db2.gz CVAAAHGQAQQXBK-PZJWPPBQSA-N 1 3 358.574 2.655 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000275150432 512057964 /nfs/dbraw/zinc/05/79/64/512057964.db2.gz RWAHFNRWJQEBNU-XLIONFOSSA-N 1 3 355.526 2.888 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cn1 ZINC000375719755 512471579 /nfs/dbraw/zinc/47/15/79/512471579.db2.gz OUGVSWCPAYOLHI-XSDIEEQYSA-N 1 3 365.525 2.784 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cn1 ZINC000375719755 512471583 /nfs/dbraw/zinc/47/15/83/512471583.db2.gz OUGVSWCPAYOLHI-XSDIEEQYSA-N 1 3 365.525 2.784 20 0 FFADHO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1=CCN(C)CC1 ZINC000371575963 512474192 /nfs/dbraw/zinc/47/41/92/512474192.db2.gz SHYNQIAMPFVMBG-RTBURBONSA-N 1 3 362.562 2.790 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369584313 512495875 /nfs/dbraw/zinc/49/58/75/512495875.db2.gz XPMNQBZQPVJNDR-VQTJNVASSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369584313 512495877 /nfs/dbraw/zinc/49/58/77/512495877.db2.gz XPMNQBZQPVJNDR-VQTJNVASSA-N 1 3 356.514 2.703 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000377937081 512520193 /nfs/dbraw/zinc/52/01/93/512520193.db2.gz FJMLXERKNMWBPO-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000377937081 512520195 /nfs/dbraw/zinc/52/01/95/512520195.db2.gz FJMLXERKNMWBPO-ICSRJNTNSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000373933454 512578578 /nfs/dbraw/zinc/57/85/78/512578578.db2.gz LRKNLBNBPRZMTO-WMZOPIPTSA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000373933454 512578581 /nfs/dbraw/zinc/57/85/81/512578581.db2.gz LRKNLBNBPRZMTO-WMZOPIPTSA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000373933451 512579076 /nfs/dbraw/zinc/57/90/76/512579076.db2.gz LRKNLBNBPRZMTO-AEFFLSMTSA-N 1 3 360.502 2.512 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000373933451 512579080 /nfs/dbraw/zinc/57/90/80/512579080.db2.gz LRKNLBNBPRZMTO-AEFFLSMTSA-N 1 3 360.502 2.512 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000411480542 512656076 /nfs/dbraw/zinc/65/60/76/512656076.db2.gz WCCRBLYEZGAXIV-KRWDZBQOSA-N 1 3 369.513 2.512 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000411563310 512691445 /nfs/dbraw/zinc/69/14/45/512691445.db2.gz QSLKPDIIBOHRSY-RTWAWAEBSA-N 1 3 373.541 2.875 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374254181 512729582 /nfs/dbraw/zinc/72/95/82/512729582.db2.gz LNOTXWINKRXFGI-GHTZIAJQSA-N 1 3 367.541 2.843 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374254181 512729585 /nfs/dbraw/zinc/72/95/85/512729585.db2.gz LNOTXWINKRXFGI-GHTZIAJQSA-N 1 3 367.541 2.843 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000372161022 512739326 /nfs/dbraw/zinc/73/93/26/512739326.db2.gz RXCRAACTWXYJCL-UYAOXDASSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000372161022 512739331 /nfs/dbraw/zinc/73/93/31/512739331.db2.gz RXCRAACTWXYJCL-UYAOXDASSA-N 1 3 371.529 2.577 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCCCN3)cc2F)CC1 ZINC000376322496 512767261 /nfs/dbraw/zinc/76/72/61/512767261.db2.gz DNGQVJRXWGZRGH-SFHVURJKSA-N 1 3 362.493 2.827 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](CN)c1ccccc1 ZINC000398039491 512953815 /nfs/dbraw/zinc/95/38/15/512953815.db2.gz KLOHFAJABLNDCX-JRGCBEDISA-N 1 3 351.494 2.756 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](CN)c1ccccc1 ZINC000398039491 512953817 /nfs/dbraw/zinc/95/38/17/512953817.db2.gz KLOHFAJABLNDCX-JRGCBEDISA-N 1 3 351.494 2.756 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(CN3CCCCC3)c2)CCCO1 ZINC000412308983 513033649 /nfs/dbraw/zinc/03/36/49/513033649.db2.gz URUMEOVHBZQKAF-LJQANCHMSA-N 1 3 373.541 2.903 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(CN3CCCCC3)c2)CCCO1 ZINC000412308983 513033653 /nfs/dbraw/zinc/03/36/53/513033653.db2.gz URUMEOVHBZQKAF-LJQANCHMSA-N 1 3 373.541 2.903 20 0 FFADHO Cc1csc(N2CCC([NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000370651304 513033781 /nfs/dbraw/zinc/03/37/81/513033781.db2.gz JFXOCVFKKKTIKH-IAGOWNOFSA-N 1 3 366.575 2.899 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412331585 513041975 /nfs/dbraw/zinc/04/19/75/513041975.db2.gz DURQPSQJHBBSGQ-IBGZPJMESA-N 1 3 367.603 2.928 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370708152 513064221 /nfs/dbraw/zinc/06/42/21/513064221.db2.gz PDIYJFOMCVDCLR-NQIIRXRSSA-N 1 3 367.541 2.843 20 0 FFADHO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370708152 513064223 /nfs/dbraw/zinc/06/42/23/513064223.db2.gz PDIYJFOMCVDCLR-NQIIRXRSSA-N 1 3 367.541 2.843 20 0 FFADHO Cc1cc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000408466934 513072050 /nfs/dbraw/zinc/07/20/50/513072050.db2.gz NGUQRSYFIXZUMH-UHFFFAOYSA-N 1 3 359.518 2.687 20 0 FFADHO CCCN(C(=O)Nc1ccc(C)cc1OCCN(C)C)C1CC[NH2+]CC1 ZINC000415205638 513152911 /nfs/dbraw/zinc/15/29/11/513152911.db2.gz QXLDSYXWZYUYLE-UHFFFAOYSA-N 1 3 362.518 2.931 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417684115 513159725 /nfs/dbraw/zinc/15/97/25/513159725.db2.gz NLGNJQCVSJPAOB-HLIPFELVSA-N 1 3 372.557 2.838 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417689020 513163022 /nfs/dbraw/zinc/16/30/22/513163022.db2.gz SLMMNGXPUMJRNP-UXPWSPDFSA-N 1 3 372.557 2.757 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000417690809 513164500 /nfs/dbraw/zinc/16/45/00/513164500.db2.gz LWSQIQVWZDTESH-SJORKVTESA-N 1 3 358.530 2.981 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000428695305 513166363 /nfs/dbraw/zinc/16/63/63/513166363.db2.gz VWLFQBJOWLFEQS-CWJKEVGVSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000428695305 513166369 /nfs/dbraw/zinc/16/63/69/513166369.db2.gz VWLFQBJOWLFEQS-CWJKEVGVSA-N 1 3 370.541 2.966 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417703255 513172073 /nfs/dbraw/zinc/17/20/73/513172073.db2.gz PBMFOOAWOWJYAA-QRVBRYPASA-N 1 3 350.551 2.815 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417703253 513172893 /nfs/dbraw/zinc/17/28/93/513172893.db2.gz PBMFOOAWOWJYAA-OTWHNJEPSA-N 1 3 350.551 2.815 20 0 FFADHO COC[C@@H]1CCN(Cc2cc(C[N@@H+]3CC[C@@H](COC)C3)ccc2F)C1 ZINC000450427492 513189910 /nfs/dbraw/zinc/18/99/10/513189910.db2.gz FPOYWFZKTNBKAV-QZTJIDSGSA-N 1 3 350.478 2.762 20 0 FFADHO COC[C@@H]1CCN(Cc2cc(C[N@H+]3CC[C@@H](COC)C3)ccc2F)C1 ZINC000450427492 513189916 /nfs/dbraw/zinc/18/99/16/513189916.db2.gz FPOYWFZKTNBKAV-QZTJIDSGSA-N 1 3 350.478 2.762 20 0 FFADHO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415305600 513196513 /nfs/dbraw/zinc/19/65/13/513196513.db2.gz HFCSBXHBSWCSAM-KRWDZBQOSA-N 1 3 360.502 2.625 20 0 FFADHO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415311587 513198841 /nfs/dbraw/zinc/19/88/41/513198841.db2.gz RFDJAKBLPCCWNT-QGZVFWFLSA-N 1 3 360.502 2.672 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000417826387 513222964 /nfs/dbraw/zinc/22/29/64/513222964.db2.gz CHSQPQAICWKALA-GSEOLPGOSA-N 1 3 358.530 2.856 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)[C@H](C[NH3+])C1 ZINC000417834331 513227715 /nfs/dbraw/zinc/22/77/15/513227715.db2.gz UWOPPJLKPUCBBM-IZBJGVDFSA-N 1 3 358.530 2.666 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446287010 513227989 /nfs/dbraw/zinc/22/79/89/513227989.db2.gz GMXUWXMVFCTAPR-XQBPLPMBSA-N 1 3 373.541 2.677 20 0 FFADHO C[C@@H]1CN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[C@H](C)CN1 ZINC000417900467 513265992 /nfs/dbraw/zinc/26/59/92/513265992.db2.gz USMPWUMZZMLSOS-BRSBDYLESA-N 1 3 358.530 2.535 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC(C)(C)C3)CC2)CC1 ZINC000446516073 513275275 /nfs/dbraw/zinc/27/52/75/513275275.db2.gz WJAXHLGRVHEWAM-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)[C@H]1c1ccccc1 ZINC000417933324 513286295 /nfs/dbraw/zinc/28/62/95/513286295.db2.gz DNLITEHURRPVST-NHCUHLMSSA-N 1 3 366.509 2.992 20 0 FFADHO CN(C)C1(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000446621930 513298654 /nfs/dbraw/zinc/29/86/54/513298654.db2.gz DNCLYSJHHAQWTQ-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417974337 513311977 /nfs/dbraw/zinc/31/19/77/513311977.db2.gz DEQNAZTVPYFPSN-XLIONFOSSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000418096339 513369982 /nfs/dbraw/zinc/36/99/82/513369982.db2.gz WXKSCLPCGGRKKK-HXUWFJFHSA-N 1 3 358.530 2.983 20 0 FFADHO Cc1[nH+]c2ccccc2c(N2CCN([C@@H]3CCNC(=O)CC3)CC2)c1C ZINC000450892556 513386800 /nfs/dbraw/zinc/38/68/00/513386800.db2.gz OWTPTNMHIRFJFL-KRWDZBQOSA-N 1 3 352.482 2.642 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418151790 513393285 /nfs/dbraw/zinc/39/32/85/513393285.db2.gz GBVSVGFGEKZCRI-MOPGFXCFSA-N 1 3 360.546 2.960 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccco1 ZINC000418170629 513403804 /nfs/dbraw/zinc/40/38/04/513403804.db2.gz SKMJHIFKECUJDB-CGTJXYLNSA-N 1 3 362.518 2.882 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185224 513410525 /nfs/dbraw/zinc/41/05/25/513410525.db2.gz QVAUCDGFRODGSY-RHSMWYFYSA-N 1 3 352.910 2.713 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N(C)C ZINC000418191028 513414715 /nfs/dbraw/zinc/41/47/15/513414715.db2.gz XBEXWFXOWWEGMN-LMNJBCLMSA-N 1 3 358.530 2.771 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)CCN1Cc1ccccc1 ZINC000418192212 513414939 /nfs/dbraw/zinc/41/49/39/513414939.db2.gz LZWGIIGVOXDQNW-RXVVDRJESA-N 1 3 366.509 2.820 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418215680 513425154 /nfs/dbraw/zinc/42/51/54/513425154.db2.gz YSHYWGAFAGZRLV-WDYCEAGBSA-N 1 3 362.518 2.503 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)N(C)C)cc1 ZINC000418226217 513430980 /nfs/dbraw/zinc/43/09/80/513430980.db2.gz ASHHIKKCMVXIRI-ROUUACIJSA-N 1 3 364.559 2.828 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000418228929 513432340 /nfs/dbraw/zinc/43/23/40/513432340.db2.gz FUZJTGCNNKURGU-IEBWSBKVSA-N 1 3 364.559 2.700 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418236009 513435268 /nfs/dbraw/zinc/43/52/68/513435268.db2.gz LYGNXYHTHZWTPH-NLWGTHIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418236009 513435272 /nfs/dbraw/zinc/43/52/72/513435272.db2.gz LYGNXYHTHZWTPH-NLWGTHIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccncc1Cl ZINC000421823493 513445795 /nfs/dbraw/zinc/44/57/95/513445795.db2.gz DCXNENKGEBMKKJ-INIZCTEOSA-N 1 3 359.905 2.993 20 0 FFADHO COc1ccc2[nH+]c3c(c(NC[C@H](C)N4CCN(C)CC4)c2c1)CCCC3 ZINC000413117818 513457925 /nfs/dbraw/zinc/45/79/25/513457925.db2.gz SJGPDASRFLLFPN-INIZCTEOSA-N 1 3 368.525 2.592 20 0 FFADHO C[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000418314948 513461026 /nfs/dbraw/zinc/46/10/26/513461026.db2.gz TYWSKXOEGPIZPC-NRDMVMEKSA-N 1 3 370.541 2.538 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000441016083 513461073 /nfs/dbraw/zinc/46/10/73/513461073.db2.gz SOQXXEQGVBYOIC-MOPGFXCFSA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000441016083 513461081 /nfs/dbraw/zinc/46/10/81/513461081.db2.gz SOQXXEQGVBYOIC-MOPGFXCFSA-N 1 3 362.562 2.959 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)Cc1ccccc1 ZINC000441015286 513461355 /nfs/dbraw/zinc/46/13/55/513461355.db2.gz KDLRNENXGTWGSP-DSKINZAPSA-N 1 3 372.557 2.864 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000418325554 513464096 /nfs/dbraw/zinc/46/40/96/513464096.db2.gz JBICGAWXOBFESA-XUVXKRRUSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000418325554 513464104 /nfs/dbraw/zinc/46/41/04/513464104.db2.gz JBICGAWXOBFESA-XUVXKRRUSA-N 1 3 358.530 2.936 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000447411543 513470356 /nfs/dbraw/zinc/47/03/56/513470356.db2.gz BDBXGQGVUWQUCM-QGZVFWFLSA-N 1 3 352.523 2.719 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418339352 513470900 /nfs/dbraw/zinc/47/09/00/513470900.db2.gz MDPOMAFFSOTAKF-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418341677 513472691 /nfs/dbraw/zinc/47/26/91/513472691.db2.gz HSOBXVAAZNKRRI-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000441064709 513473953 /nfs/dbraw/zinc/47/39/53/513473953.db2.gz OQSXDUDKYUPXSP-ZACQAIPSSA-N 1 3 350.551 2.811 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000441064709 513473963 /nfs/dbraw/zinc/47/39/63/513473963.db2.gz OQSXDUDKYUPXSP-ZACQAIPSSA-N 1 3 350.551 2.811 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418347329 513475727 /nfs/dbraw/zinc/47/57/27/513475727.db2.gz NMOHJOJAOHDDRF-INIZCTEOSA-N 1 3 366.937 2.803 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000415939829 513489397 /nfs/dbraw/zinc/48/93/97/513489397.db2.gz RPGUPWNZMXQMGX-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418382341 513490017 /nfs/dbraw/zinc/49/00/17/513490017.db2.gz LYZHOQFQRUWBRK-INIZCTEOSA-N 1 3 372.435 2.531 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000415949974 513495809 /nfs/dbraw/zinc/49/58/09/513495809.db2.gz CPIPULBLLNFLHV-DNVCBOLYSA-N 1 3 372.488 2.952 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000415949974 513495817 /nfs/dbraw/zinc/49/58/17/513495817.db2.gz CPIPULBLLNFLHV-DNVCBOLYSA-N 1 3 372.488 2.952 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418415642 513500085 /nfs/dbraw/zinc/50/00/85/513500085.db2.gz SSBTTYPJLREGEH-YJBOKZPZSA-N 1 3 368.472 2.556 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc2c(c1F)CCNC2)C(C)(C)C ZINC000415961038 513501768 /nfs/dbraw/zinc/50/17/68/513501768.db2.gz QLXBETCCHQHJNQ-MRXNPFEDSA-N 1 3 350.482 2.959 20 0 FFADHO CN(C(=O)NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418428499 513505597 /nfs/dbraw/zinc/50/55/97/513505597.db2.gz MNRSZEAXKFSJLL-NHCUHLMSSA-N 1 3 366.509 2.992 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000418431666 513506289 /nfs/dbraw/zinc/50/62/89/513506289.db2.gz SSLBFZNMHKOYPK-UAGQMJEPSA-N 1 3 352.910 2.759 20 0 FFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000447594633 513517477 /nfs/dbraw/zinc/51/74/77/513517477.db2.gz HHMMRIAOUKSOLD-INIZCTEOSA-N 1 3 368.543 2.632 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415986320 513518623 /nfs/dbraw/zinc/51/86/23/513518623.db2.gz AEJZHHALHHUKDB-HZPDHXFCSA-N 1 3 374.451 2.722 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416017566 513540825 /nfs/dbraw/zinc/54/08/25/513540825.db2.gz YBJLFDHATJXSBF-ZBFHGGJFSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418535396 513547451 /nfs/dbraw/zinc/54/74/51/513547451.db2.gz HFYNMTSFRIKFHC-WIYYLYMNSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418535717 513547786 /nfs/dbraw/zinc/54/77/86/513547786.db2.gz HTVFSMZKZDUONE-WIYYLYMNSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000430121825 513560138 /nfs/dbraw/zinc/56/01/38/513560138.db2.gz JBXOCBCLFMYWFZ-FPOVZHCZSA-N 1 3 373.541 2.848 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000430121825 513560145 /nfs/dbraw/zinc/56/01/45/513560145.db2.gz JBXOCBCLFMYWFZ-FPOVZHCZSA-N 1 3 373.541 2.848 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418568949 513561665 /nfs/dbraw/zinc/56/16/65/513561665.db2.gz BUOBHBJGEZFXSE-UHFFFAOYSA-N 1 3 358.530 2.943 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCC1 ZINC000441414459 513564476 /nfs/dbraw/zinc/56/44/76/513564476.db2.gz SYYZQZDHWRVMCO-AYBZRNKSSA-N 1 3 350.551 2.811 20 0 FFADHO O=C(COc1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1)NCC1CC1 ZINC000435377468 513569176 /nfs/dbraw/zinc/56/91/76/513569176.db2.gz BVOAUDOCVCYICP-FQEVSTJZSA-N 1 3 371.525 2.556 20 0 FFADHO C[C@H]([NH3+])C1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000435396684 513573523 /nfs/dbraw/zinc/57/35/23/513573523.db2.gz ZSZCVLFRDGWHOH-HNNXBMFYSA-N 1 3 370.497 2.808 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418611294 513576830 /nfs/dbraw/zinc/57/68/30/513576830.db2.gz DGNOWOOVBLENDB-PMACEKPBSA-N 1 3 373.545 2.595 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418612482 513577950 /nfs/dbraw/zinc/57/79/50/513577950.db2.gz HVPXVQZTANTMAC-CBQOVEMMSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000418612171 513578256 /nfs/dbraw/zinc/57/82/56/513578256.db2.gz VMUCBYMVQJARRC-CBQOVEMMSA-N 1 3 370.541 2.825 20 0 FFADHO [NH3+]CCC[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1 ZINC000418636306 513585786 /nfs/dbraw/zinc/58/57/86/513585786.db2.gz MDGONJRNRGYMGV-PMACEKPBSA-N 1 3 352.482 2.653 20 0 FFADHO CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418651125 513593718 /nfs/dbraw/zinc/59/37/18/513593718.db2.gz XZBUBLMRLNDZJD-HXUWFJFHSA-N 1 3 356.514 2.602 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000416168261 513617853 /nfs/dbraw/zinc/61/78/53/513617853.db2.gz XECOEIPFTGHJCQ-NRFANRHFSA-N 1 3 355.526 2.912 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418709091 513618632 /nfs/dbraw/zinc/61/86/32/513618632.db2.gz CUQWQXQTUQHWSO-WOJBJXKFSA-N 1 3 360.546 2.710 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000435612942 513635518 /nfs/dbraw/zinc/63/55/18/513635518.db2.gz IDZHKIDPRUHTDL-SFHVURJKSA-N 1 3 369.513 2.892 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435612941 513636404 /nfs/dbraw/zinc/63/64/04/513636404.db2.gz IDZHKIDPRUHTDL-GOSISDBHSA-N 1 3 369.513 2.892 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000422204995 513637887 /nfs/dbraw/zinc/63/78/87/513637887.db2.gz IXNVFRZDNZHVSK-AEFFLSMTSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000422204995 513637896 /nfs/dbraw/zinc/63/78/96/513637896.db2.gz IXNVFRZDNZHVSK-AEFFLSMTSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418752416 513639235 /nfs/dbraw/zinc/63/92/35/513639235.db2.gz GMQOJVMMUSHUAW-RDJZCZTQSA-N 1 3 372.504 2.670 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418752416 513639241 /nfs/dbraw/zinc/63/92/41/513639241.db2.gz GMQOJVMMUSHUAW-RDJZCZTQSA-N 1 3 372.504 2.670 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768909 513649951 /nfs/dbraw/zinc/64/99/51/513649951.db2.gz MZTSTGWXFTUPOV-GOSISDBHSA-N 1 3 366.937 2.945 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000430428027 513651106 /nfs/dbraw/zinc/65/11/06/513651106.db2.gz RDIZIBXXCIOFEQ-HXUWFJFHSA-N 1 3 372.557 2.532 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418791180 513658766 /nfs/dbraw/zinc/65/87/66/513658766.db2.gz NNPJJUOOCOFZOV-RHSMWYFYSA-N 1 3 352.910 2.541 20 0 FFADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000418795598 513660196 /nfs/dbraw/zinc/66/01/96/513660196.db2.gz QRBKTUIGGAIJLE-HSALFYBXSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435769330 513680806 /nfs/dbraw/zinc/68/08/06/513680806.db2.gz JKWLHSXLXUOOIH-MJGOQNOKSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435769330 513680814 /nfs/dbraw/zinc/68/08/14/513680814.db2.gz JKWLHSXLXUOOIH-MJGOQNOKSA-N 1 3 350.551 2.957 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430576841 513694131 /nfs/dbraw/zinc/69/41/31/513694131.db2.gz YIFKIOOXLXTCTB-MAUKXSAKSA-N 1 3 369.513 2.877 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000430595970 513699252 /nfs/dbraw/zinc/69/92/52/513699252.db2.gz NGZQHOHEASOYBH-HXUWFJFHSA-N 1 3 355.486 2.535 20 0 FFADHO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(C[NH3+])CC1 ZINC000430605829 513702233 /nfs/dbraw/zinc/70/22/33/513702233.db2.gz UNIBRXCIYVVNDV-QGZVFWFLSA-N 1 3 351.494 2.951 20 0 FFADHO [NH3+]CC1CCN(CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000430622196 513706418 /nfs/dbraw/zinc/70/64/18/513706418.db2.gz FEDRRSAVBANYJT-UHFFFAOYSA-N 1 3 365.521 2.929 20 0 FFADHO Cc1cc(NC(=O)[C@H](C)[C@H](N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000430814291 513755557 /nfs/dbraw/zinc/75/55/57/513755557.db2.gz IDYNTCLYWDJUIE-BEFAXECRSA-N 1 3 355.486 2.733 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000448447456 513760555 /nfs/dbraw/zinc/76/05/55/513760555.db2.gz XZYICZZFPPOMGH-IBGZPJMESA-N 1 3 365.562 2.506 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000448447456 513760564 /nfs/dbraw/zinc/76/05/64/513760564.db2.gz XZYICZZFPPOMGH-IBGZPJMESA-N 1 3 365.562 2.506 20 0 FFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430872356 513770694 /nfs/dbraw/zinc/77/06/94/513770694.db2.gz IOVRSNGJFGQMGX-DNVCBOLYSA-N 1 3 360.502 2.813 20 0 FFADHO Brc1cc2c(c(CN3CCC4(CC[NH2+]C4)CC3)c1)OCC2 ZINC000430901808 513777296 /nfs/dbraw/zinc/77/72/96/513777296.db2.gz VPOVFHLQYBJZRB-UHFFFAOYSA-N 1 3 351.288 2.960 20 0 FFADHO COCC[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000431067363 513818754 /nfs/dbraw/zinc/81/87/54/513818754.db2.gz WCVOUMRPVQAAIW-RBBKRZOGSA-N 1 3 373.541 2.592 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000422715813 513910524 /nfs/dbraw/zinc/91/05/24/513910524.db2.gz MSYDOSHNJZXPSP-QVKFZJNVSA-N 1 3 372.488 2.712 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCN1C ZINC000443284789 513921022 /nfs/dbraw/zinc/92/10/22/513921022.db2.gz CQLWMEMJDNGZDP-RJJVWVDVSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCN1C ZINC000443284789 513921030 /nfs/dbraw/zinc/92/10/30/513921030.db2.gz CQLWMEMJDNGZDP-RJJVWVDVSA-N 1 3 355.526 2.888 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422750815 513921879 /nfs/dbraw/zinc/92/18/79/513921879.db2.gz BTBASFAQIQSZMM-YCRPNKLZSA-N 1 3 372.488 2.712 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1CN1CCOCC1 ZINC000422756906 513923624 /nfs/dbraw/zinc/92/36/24/513923624.db2.gz CPXDOFFKNVLWRO-XMSQKQJNSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000422756906 513923628 /nfs/dbraw/zinc/92/36/28/513923628.db2.gz CPXDOFFKNVLWRO-XMSQKQJNSA-N 1 3 353.510 2.567 20 0 FFADHO O[C@@H]1CC[C@@H]2CN(C/C=C/C[N@@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705441 513924765 /nfs/dbraw/zinc/92/47/65/513924765.db2.gz YRELBLDHNBVZBR-YCTCLBBTSA-N 1 3 362.558 2.508 20 0 FFADHO O[C@@H]1CC[C@@H]2CN(C/C=C/C[N@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705441 513924773 /nfs/dbraw/zinc/92/47/73/513924773.db2.gz YRELBLDHNBVZBR-YCTCLBBTSA-N 1 3 362.558 2.508 20 0 FFADHO O[C@@H]1CC[C@@H]2C[N@H+](C/C=C/CN3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705441 513924779 /nfs/dbraw/zinc/92/47/79/513924779.db2.gz YRELBLDHNBVZBR-YCTCLBBTSA-N 1 3 362.558 2.508 20 0 FFADHO O[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/CN3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705441 513924786 /nfs/dbraw/zinc/92/47/86/513924786.db2.gz YRELBLDHNBVZBR-YCTCLBBTSA-N 1 3 362.558 2.508 20 0 FFADHO c1ccc(CN2CCO[C@H](CN[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1 ZINC000422768039 513927304 /nfs/dbraw/zinc/92/73/04/513927304.db2.gz NNBFKTNEYUFYMM-YTFSRNRJSA-N 1 3 365.521 2.970 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422779864 513930730 /nfs/dbraw/zinc/93/07/30/513930730.db2.gz JLDPPNFCKJUBSU-QXAKKESOSA-N 1 3 351.922 2.820 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422779864 513930732 /nfs/dbraw/zinc/93/07/32/513930732.db2.gz JLDPPNFCKJUBSU-QXAKKESOSA-N 1 3 351.922 2.820 20 0 FFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1OC(F)(F)F ZINC000422785442 513931957 /nfs/dbraw/zinc/93/19/57/513931957.db2.gz JSKRHVXIRHPFED-SLHHOWHOSA-N 1 3 358.404 2.609 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccncc2s1 ZINC000448852778 513932705 /nfs/dbraw/zinc/93/27/05/513932705.db2.gz LWVJQSDOJXLZMG-MRXNPFEDSA-N 1 3 360.527 2.784 20 0 FFADHO CC(=O)Nc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422810200 513938763 /nfs/dbraw/zinc/93/87/63/513938763.db2.gz TVGICXNMAILIHW-PZJWPPBQSA-N 1 3 351.450 2.991 20 0 FFADHO c1ccc(CN2CCN(CCCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422831242 513945282 /nfs/dbraw/zinc/94/52/82/513945282.db2.gz JKUZIVKXWKFUJT-ZLNRFVROSA-N 1 3 370.585 2.705 20 0 FFADHO Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422830405 513946373 /nfs/dbraw/zinc/94/63/73/513946373.db2.gz QZERACWZUPJMTN-YSFYHYPLSA-N 1 3 357.542 2.879 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422836679 513947987 /nfs/dbraw/zinc/94/79/87/513947987.db2.gz RRZKCGXAOZVNDN-GFCCVEGCSA-N 1 3 367.419 3.415 20 0 FFADHO C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCN(c2ccccc2)CC1 ZINC000422856836 513954749 /nfs/dbraw/zinc/95/47/49/513954749.db2.gz GRQCVQHNZWSDIZ-ZRCGQRJVSA-N 1 3 366.553 2.745 20 0 FFADHO Cc1cccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCOCC2)c1 ZINC000422870894 513958453 /nfs/dbraw/zinc/95/84/53/513958453.db2.gz ZLHNTZQXLNOQHY-VJBMBRPKSA-N 1 3 367.537 2.916 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422876905 513958750 /nfs/dbraw/zinc/95/87/50/513958750.db2.gz GRJFYKKRYZYETP-CZUORRHYSA-N 1 3 368.319 2.547 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCC[C@@H]1C ZINC000414061201 513959951 /nfs/dbraw/zinc/95/99/51/513959951.db2.gz KFLJZUZMWNREEJ-CABCVRRESA-N 1 3 370.335 2.853 20 0 FFADHO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)C1 ZINC000422885423 513964413 /nfs/dbraw/zinc/96/44/13/513964413.db2.gz YOVDLWRIISGQSC-XYVMCAHJSA-N 1 3 351.922 2.817 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422893911 513965603 /nfs/dbraw/zinc/96/56/03/513965603.db2.gz RLAYNTKQADBSAX-VHKYSDTDSA-N 1 3 371.456 2.920 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422893910 513966723 /nfs/dbraw/zinc/96/67/23/513966723.db2.gz RLAYNTKQADBSAX-PNHOKKKMSA-N 1 3 371.456 2.920 20 0 FFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422894949 513968593 /nfs/dbraw/zinc/96/85/93/513968593.db2.gz DQOJMKILNUFZBF-ZQIUZPCESA-N 1 3 352.320 2.992 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000416791208 513968818 /nfs/dbraw/zinc/96/88/18/513968818.db2.gz WACVVYIJODHZTL-LJQANCHMSA-N 1 3 356.514 2.609 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416791206 513969010 /nfs/dbraw/zinc/96/90/10/513969010.db2.gz WAAMJHXKRJGREA-TZIWHRDSSA-N 1 3 356.514 2.609 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1cccc(C(F)(F)F)c1 ZINC000422906654 513972086 /nfs/dbraw/zinc/97/20/86/513972086.db2.gz VRZUIPNUNWGTQL-BZZMCLGOSA-N 1 3 372.431 2.955 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NCCC(=O)N(C)Cc1ccccc1Br ZINC000422912886 513974482 /nfs/dbraw/zinc/97/44/82/513974482.db2.gz XFUURRVJYVIULQ-STQMWFEESA-N 1 3 356.308 2.513 20 0 FFADHO CC(C)c1noc(CCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422931232 513980021 /nfs/dbraw/zinc/98/00/21/513980021.db2.gz BDYGJWDCNWVLMH-OXJNMPFZSA-N 1 3 356.470 2.971 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422946956 513987119 /nfs/dbraw/zinc/98/71/19/513987119.db2.gz XKMIVUJXLNFXTQ-VQIMIIECSA-N 1 3 350.938 2.569 20 0 FFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422946956 513987127 /nfs/dbraw/zinc/98/71/27/513987127.db2.gz XKMIVUJXLNFXTQ-VQIMIIECSA-N 1 3 350.938 2.569 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416828365 513987740 /nfs/dbraw/zinc/98/77/40/513987740.db2.gz RXYNOTODOLVAND-HKUYNNGSSA-N 1 3 362.518 2.649 20 0 FFADHO O=C(NCCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422953552 513990992 /nfs/dbraw/zinc/99/09/92/513990992.db2.gz FPAIVZVWBDMXLG-UZLBHIALSA-N 1 3 371.506 2.714 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422961624 513993423 /nfs/dbraw/zinc/99/34/23/513993423.db2.gz COHOGIPNMRCCCS-FDFHNCONSA-N 1 3 368.525 2.860 20 0 FFADHO COc1cc(-c2noc(CCCCC[NH2+][C@H]3CCC[C@@H]3CN)n2)ccc1O ZINC000422984924 513999456 /nfs/dbraw/zinc/99/94/56/513999456.db2.gz BOYZCFQFWQPMEV-CVEARBPZSA-N 1 3 374.485 2.881 20 0 FFADHO CC(C)[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@@H]1C ZINC000414180487 514000129 /nfs/dbraw/zinc/00/01/29/514000129.db2.gz BGNHCZSBHNZSBR-UFYCRDLUSA-N 1 3 351.579 2.833 20 0 FFADHO C[C@@H]1[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@@H]1c1ccccc1 ZINC000414182450 514000238 /nfs/dbraw/zinc/00/02/38/514000238.db2.gz DGXDBNBVVBWDDT-JBACZVJFSA-N 1 3 357.542 2.565 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cc(Cl)ccc1Br ZINC000422998563 514003309 /nfs/dbraw/zinc/00/33/09/514003309.db2.gz QSMYKSBESUADNZ-PSOPSSQASA-N 1 3 361.711 2.987 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000422998563 514003318 /nfs/dbraw/zinc/00/33/18/514003318.db2.gz QSMYKSBESUADNZ-PSOPSSQASA-N 1 3 361.711 2.987 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000416853077 514005539 /nfs/dbraw/zinc/00/55/39/514005539.db2.gz TXIRNNCAJAJICR-JKSUJKDBSA-N 1 3 350.532 2.558 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416857750 514007735 /nfs/dbraw/zinc/00/77/35/514007735.db2.gz YHGDUGZGRJVUFO-HZPDHXFCSA-N 1 3 352.548 2.948 20 0 FFADHO Fc1cc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423029742 514012606 /nfs/dbraw/zinc/01/26/06/514012606.db2.gz VIEUKFDYIRDZJN-LLBUTXAOSA-N 1 3 367.896 2.805 20 0 FFADHO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423029205 514012655 /nfs/dbraw/zinc/01/26/55/514012655.db2.gz HRVDWYNTOHCBJU-DAXOMENPSA-N 1 3 371.319 2.732 20 0 FFADHO COc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423029205 514012659 /nfs/dbraw/zinc/01/26/59/514012659.db2.gz HRVDWYNTOHCBJU-DAXOMENPSA-N 1 3 371.319 2.732 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000431865387 514026166 /nfs/dbraw/zinc/02/61/66/514026166.db2.gz PVAVYVHKWFTFJN-LPHOPBHVSA-N 1 3 350.551 2.813 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423079951 514031947 /nfs/dbraw/zinc/03/19/47/514031947.db2.gz YXZKAWYSBBDUOP-VYDXJSESSA-N 1 3 355.320 2.707 20 0 FFADHO O=C(Cc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423098483 514041346 /nfs/dbraw/zinc/04/13/46/514041346.db2.gz CWJVIULEEVKTFE-UWHLTILDSA-N 1 3 355.526 2.730 20 0 FFADHO CS(=O)(=O)c1cc(C[NH2+][C@H]2CCCCC[C@H]2N)cc(C(F)(F)F)c1 ZINC000423113765 514046958 /nfs/dbraw/zinc/04/69/58/514046958.db2.gz ZARQIAIEWRSTET-CABCVRRESA-N 1 3 364.433 2.859 20 0 FFADHO OC[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423173852 514069959 /nfs/dbraw/zinc/06/99/59/514069959.db2.gz AIEIARZYCFSLFN-SCWSEQNSSA-N 1 3 356.441 2.747 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449129966 514084029 /nfs/dbraw/zinc/08/40/29/514084029.db2.gz DYFRWAIHNBKGOF-CJNGLKHVSA-N 1 3 355.448 2.954 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000449137203 514089402 /nfs/dbraw/zinc/08/94/02/514089402.db2.gz XKUKSYVSHWZJQK-AABGKKOBSA-N 1 3 359.558 2.781 20 0 FFADHO Cc1ccc(OC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)cc1 ZINC000420324466 514094022 /nfs/dbraw/zinc/09/40/22/514094022.db2.gz VKFRHOLBKXAPLZ-VXKWHMMOSA-N 1 3 354.494 2.769 20 0 FFADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335397 514100189 /nfs/dbraw/zinc/10/01/89/514100189.db2.gz HHMOOHUJOJDQCO-UONOGXRCSA-N 1 3 355.935 2.681 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294109 514102267 /nfs/dbraw/zinc/10/22/67/514102267.db2.gz SWTRTRDNDXAKEN-CABCVRRESA-N 1 3 361.511 2.821 20 0 FFADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000423293903 514102630 /nfs/dbraw/zinc/10/26/30/514102630.db2.gz SLBVXJSAMVLDQL-ORAYPTAESA-N 1 3 359.495 2.521 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000420345720 514104607 /nfs/dbraw/zinc/10/46/07/514104607.db2.gz WLSOPLOERZSCCY-QZTJIDSGSA-N 1 3 361.555 2.607 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000444036741 514105391 /nfs/dbraw/zinc/10/53/91/514105391.db2.gz ZCYCGFFSMPMOFE-UHFFFAOYSA-N 1 3 350.507 2.679 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417011340 514116658 /nfs/dbraw/zinc/11/66/58/514116658.db2.gz RQFIGNWUMDQQJX-FUHWJXTLSA-N 1 3 350.532 2.526 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000417012165 514118151 /nfs/dbraw/zinc/11/81/51/514118151.db2.gz VZHOZTGVSNSWIJ-IKGGRYGDSA-N 1 3 350.532 2.667 20 0 FFADHO CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417013390 514118609 /nfs/dbraw/zinc/11/86/09/514118609.db2.gz CACHAEHUIPNTNT-XNMUZJSGSA-N 1 3 356.514 2.748 20 0 FFADHO CCCOc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423372934 514120547 /nfs/dbraw/zinc/12/05/47/514120547.db2.gz BQJXREXVPGZMET-PBHICJAKSA-N 1 3 359.436 2.962 20 0 FFADHO CC[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417018785 514123449 /nfs/dbraw/zinc/12/34/49/514123449.db2.gz QKBCTLQUNMMXHU-LJQANCHMSA-N 1 3 358.530 2.512 20 0 FFADHO CN1CCC(C[NH2+]CCc2ccc(C(C)(C)C)cc2)(N2CCOCC2)CC1 ZINC000414479375 514144601 /nfs/dbraw/zinc/14/46/01/514144601.db2.gz HOIIZANLDQEIHV-UHFFFAOYSA-N 1 3 373.585 2.913 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000437350155 514145379 /nfs/dbraw/zinc/14/53/79/514145379.db2.gz XIEVUFQVRUDHIP-MJGOQNOKSA-N 1 3 359.514 2.650 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccc3ccccc3c2)(N2CCOCC2)CC1 ZINC000414488136 514146956 /nfs/dbraw/zinc/14/69/56/514146956.db2.gz TUPNXLFVFKPPPA-UHFFFAOYSA-N 1 3 353.510 2.726 20 0 FFADHO CN1CCO[C@H]([C@H](NCCC[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000423478319 514150367 /nfs/dbraw/zinc/15/03/67/514150367.db2.gz LBELNOAHPBHJCL-GBESFXJTSA-N 1 3 351.922 2.834 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000417071243 514153550 /nfs/dbraw/zinc/15/35/50/514153550.db2.gz QCVUPDRZPOQRRM-UHFFFAOYSA-N 1 3 354.498 2.809 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000417074084 514155318 /nfs/dbraw/zinc/15/53/18/514155318.db2.gz UBDCRVBUPLGBKQ-WOJBJXKFSA-N 1 3 358.530 2.812 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417090930 514163338 /nfs/dbraw/zinc/16/33/38/514163338.db2.gz ZJALUNQIEFQELN-SFTDATJTSA-N 1 3 370.541 2.682 20 0 FFADHO CC[C@H](C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1)[NH+](CC)CC ZINC000427291787 514173658 /nfs/dbraw/zinc/17/36/58/514173658.db2.gz JWUAEEPDYPFCLS-CMKODMSKSA-N 1 3 367.578 2.845 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449348958 514177369 /nfs/dbraw/zinc/17/73/69/514177369.db2.gz DKIJADIRGCAFOM-GGAORHGYSA-N 1 3 363.505 2.699 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449348957 514177456 /nfs/dbraw/zinc/17/74/56/514177456.db2.gz DKIJADIRGCAFOM-FYYLOGMGSA-N 1 3 363.505 2.699 20 0 FFADHO COC1(C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCCCC1 ZINC000414558987 514177746 /nfs/dbraw/zinc/17/77/46/514177746.db2.gz UAUCRTOKVUUSOO-UHFFFAOYSA-N 1 3 373.541 2.823 20 0 FFADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449464796 514219702 /nfs/dbraw/zinc/21/97/02/514219702.db2.gz ZLBFMJDXGNIQLX-PVIWCNJMSA-N 1 3 358.526 2.928 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000417223775 514243350 /nfs/dbraw/zinc/24/33/50/514243350.db2.gz SXJCHFPKPLMYJF-HZEGPAAWSA-N 1 3 370.541 2.853 20 0 FFADHO [NH3+]CC(=O)N1CCC[C@H](CNC2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000414713755 514252630 /nfs/dbraw/zinc/25/26/30/514252630.db2.gz UIEIPAMDNDRDGM-GFCCVEGCSA-N 1 3 356.297 2.769 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCC[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000414759033 514277779 /nfs/dbraw/zinc/27/77/79/514277779.db2.gz ZJUAKBIAWZCNCQ-GOSISDBHSA-N 1 3 373.545 2.791 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)C1 ZINC000414762427 514278669 /nfs/dbraw/zinc/27/86/69/514278669.db2.gz WAXCLYFAMYMAIN-KCLUMXDGSA-N 1 3 355.526 2.842 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)C1 ZINC000414762427 514278676 /nfs/dbraw/zinc/27/86/76/514278676.db2.gz WAXCLYFAMYMAIN-KCLUMXDGSA-N 1 3 355.526 2.842 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417302473 514283705 /nfs/dbraw/zinc/28/37/05/514283705.db2.gz WIHDUACKFSAGSV-WFASDCNBSA-N 1 3 360.424 2.735 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000420774170 514290310 /nfs/dbraw/zinc/29/03/10/514290310.db2.gz BZRLLMXLSONGEJ-FQEVSTJZSA-N 1 3 358.530 2.695 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000414785306 514291629 /nfs/dbraw/zinc/29/16/29/514291629.db2.gz JPEZIMJEABWFCF-WBVHZDCISA-N 1 3 358.404 2.956 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c(-c2cnn(C)c2)c1 ZINC000414784837 514292117 /nfs/dbraw/zinc/29/21/17/514292117.db2.gz ROVDGIMVRZUJCG-LJQANCHMSA-N 1 3 354.498 2.583 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c(-c2cnn(C)c2)c1 ZINC000414784837 514292120 /nfs/dbraw/zinc/29/21/20/514292120.db2.gz ROVDGIMVRZUJCG-LJQANCHMSA-N 1 3 354.498 2.583 20 0 FFADHO Cc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2cnn(C)c2)c1 ZINC000414784837 514292125 /nfs/dbraw/zinc/29/21/25/514292125.db2.gz ROVDGIMVRZUJCG-LJQANCHMSA-N 1 3 354.498 2.583 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414792279 514296571 /nfs/dbraw/zinc/29/65/71/514296571.db2.gz CBBXOVMAWIVREP-OGWOLHLISA-N 1 3 372.513 2.859 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414792279 514296577 /nfs/dbraw/zinc/29/65/77/514296577.db2.gz CBBXOVMAWIVREP-OGWOLHLISA-N 1 3 372.513 2.859 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000414797803 514298505 /nfs/dbraw/zinc/29/85/05/514298505.db2.gz YWDQQQWUHRWMAW-HBMCJLEFSA-N 1 3 360.498 2.573 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000414805829 514302109 /nfs/dbraw/zinc/30/21/09/514302109.db2.gz PVSKKECNLKBFOI-HZMBPMFUSA-N 1 3 367.515 2.586 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000417354516 514307339 /nfs/dbraw/zinc/30/73/39/514307339.db2.gz MASPKXGBPMOBHO-TZIWHRDSSA-N 1 3 356.514 2.527 20 0 FFADHO C[C@H]1NCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@@H]1C ZINC000417360126 514310646 /nfs/dbraw/zinc/31/06/46/514310646.db2.gz XBJVCFQAZAKZOV-QZTJIDSGSA-N 1 3 358.530 2.954 20 0 FFADHO CNC[C@H](C)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414845791 514321055 /nfs/dbraw/zinc/32/10/55/514321055.db2.gz SUPVOANZXMNSQF-AWEZNQCLSA-N 1 3 354.336 2.859 20 0 FFADHO C[NH2+]C[C@H](C)CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414845791 514321061 /nfs/dbraw/zinc/32/10/61/514321061.db2.gz SUPVOANZXMNSQF-AWEZNQCLSA-N 1 3 354.336 2.859 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000417378547 514323211 /nfs/dbraw/zinc/32/32/11/514323211.db2.gz HNWDGVUEKFOERI-KRWDZBQOSA-N 1 3 364.559 2.601 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414906793 514351079 /nfs/dbraw/zinc/35/10/79/514351079.db2.gz MRWHQVGSQDTUCY-BTYIYWSLSA-N 1 3 372.513 2.732 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906793 514351081 /nfs/dbraw/zinc/35/10/81/514351081.db2.gz MRWHQVGSQDTUCY-BTYIYWSLSA-N 1 3 372.513 2.732 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444881774 514359743 /nfs/dbraw/zinc/35/97/43/514359743.db2.gz DOVBBAQFYRWGNE-NRFANRHFSA-N 1 3 370.541 2.997 20 0 FFADHO CCOc1cccc(CNCC2(COC)CC[NH2+]CC2)c1OC(F)F ZINC000414955371 514374779 /nfs/dbraw/zinc/37/47/79/514374779.db2.gz MVFAJXQIDILTHI-UHFFFAOYSA-N 1 3 358.429 2.793 20 0 FFADHO FC(F)(F)[C@@H](CNCc1cccc(-c2ccncc2)c1)N1CC[NH2+]CC1 ZINC000414971471 514380542 /nfs/dbraw/zinc/38/05/42/514380542.db2.gz IUDVVZVYQMUCJG-GOSISDBHSA-N 1 3 364.415 2.674 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414988715 514389989 /nfs/dbraw/zinc/38/99/89/514389989.db2.gz PVLFUGOSAOBREI-AWEZNQCLSA-N 1 3 369.353 2.940 20 0 FFADHO Cc1cc(F)c(CNCCCN2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000424158522 514401911 /nfs/dbraw/zinc/40/19/11/514401911.db2.gz RCCOMYDXCWZTTN-UHFFFAOYSA-N 1 3 360.452 2.970 20 0 FFADHO C[C@@H]1C[C@@H]1N1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H](C)C1 ZINC000420960351 514403274 /nfs/dbraw/zinc/40/32/74/514403274.db2.gz GPIHUNHXKONPOJ-KNKQGSTJSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@@H]1C[C@@H]1N1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H](C)C1 ZINC000420960351 514403280 /nfs/dbraw/zinc/40/32/80/514403280.db2.gz GPIHUNHXKONPOJ-KNKQGSTJSA-N 1 3 357.542 2.681 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000415036134 514409722 /nfs/dbraw/zinc/40/97/22/514409722.db2.gz FHQSPIFCQNIVDN-RBUKOAKNSA-N 1 3 360.498 2.819 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420971174 514410157 /nfs/dbraw/zinc/41/01/57/514410157.db2.gz JMRRPKMXRXEGGH-OAQYLSRUSA-N 1 3 361.505 2.823 20 0 FFADHO Cc1cnc([C@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000428205802 514422791 /nfs/dbraw/zinc/42/27/91/514422791.db2.gz IWDGCYRDUHCQMM-SFHVURJKSA-N 1 3 359.562 2.974 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)N(C)Cc1ccc(Cl)s1)CC[NH2+]CC2 ZINC000424286082 514446792 /nfs/dbraw/zinc/44/67/92/514446792.db2.gz GXJGWTOCZPTAKP-ZDUSSCGKSA-N 1 3 355.935 2.824 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)N1CCC(Cc3ccccc3)CC1)CC[NH2+]CC2 ZINC000424302273 514451597 /nfs/dbraw/zinc/45/15/97/514451597.db2.gz ZCDSWKAELPLYPO-IBGZPJMESA-N 1 3 369.553 2.932 20 0 FFADHO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415120952 514452919 /nfs/dbraw/zinc/45/29/19/514452919.db2.gz GULDOGIQKXXOIB-QGZVFWFLSA-N 1 3 351.454 2.736 20 0 FFADHO COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415120952 514452925 /nfs/dbraw/zinc/45/29/25/514452925.db2.gz GULDOGIQKXXOIB-QGZVFWFLSA-N 1 3 351.454 2.736 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@@H+]1C ZINC000465914165 514517360 /nfs/dbraw/zinc/51/73/60/514517360.db2.gz ADDYIGRQXOLGFG-SJORKVTESA-N 1 3 368.591 2.520 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@H+]1C ZINC000465914165 514517369 /nfs/dbraw/zinc/51/73/69/514517369.db2.gz ADDYIGRQXOLGFG-SJORKVTESA-N 1 3 368.591 2.520 20 0 FFADHO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCc2ccccc2C1 ZINC000475037890 514533884 /nfs/dbraw/zinc/53/38/84/514533884.db2.gz IHWBWOHZCCXVFU-YADHBBJMSA-N 1 3 365.521 2.895 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453067392 514534403 /nfs/dbraw/zinc/53/44/03/514534403.db2.gz XPTZVLHNRUTEPB-QZTJIDSGSA-N 1 3 355.530 2.764 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000466026702 514542988 /nfs/dbraw/zinc/54/29/88/514542988.db2.gz RBDRPNSFWANKOP-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466026702 514542999 /nfs/dbraw/zinc/54/29/99/514542999.db2.gz RBDRPNSFWANKOP-MJGOQNOKSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[N@@H+]1C ZINC000466037836 514546135 /nfs/dbraw/zinc/54/61/35/514546135.db2.gz JOGNSZWRPFHSPX-YFHUEUNASA-N 1 3 364.559 2.913 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000466037836 514546143 /nfs/dbraw/zinc/54/61/43/514546143.db2.gz JOGNSZWRPFHSPX-YFHUEUNASA-N 1 3 364.559 2.913 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000466136419 514564726 /nfs/dbraw/zinc/56/47/26/514564726.db2.gz DZBNMEWLEMJEFE-DJIMGWMZSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000466136419 514564732 /nfs/dbraw/zinc/56/47/32/514564732.db2.gz DZBNMEWLEMJEFE-DJIMGWMZSA-N 1 3 362.543 2.667 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475167223 514577356 /nfs/dbraw/zinc/57/73/56/514577356.db2.gz APLVJDZEKXEQLH-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475167223 514577361 /nfs/dbraw/zinc/57/73/61/514577361.db2.gz APLVJDZEKXEQLH-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466214973 514578964 /nfs/dbraw/zinc/57/89/64/514578964.db2.gz DBTBBMKBNOXUQR-ZMMAXQRCSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466214973 514578971 /nfs/dbraw/zinc/57/89/71/514578971.db2.gz DBTBBMKBNOXUQR-ZMMAXQRCSA-N 1 3 350.551 2.526 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccsc1 ZINC000466231160 514583950 /nfs/dbraw/zinc/58/39/50/514583950.db2.gz OTTUEZFQOPFTGO-JCGIZDLHSA-N 1 3 364.559 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccsc1 ZINC000466231160 514583955 /nfs/dbraw/zinc/58/39/55/514583955.db2.gz OTTUEZFQOPFTGO-JCGIZDLHSA-N 1 3 364.559 2.913 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466226507 514584140 /nfs/dbraw/zinc/58/41/40/514584140.db2.gz ONQVBXNZLFINLE-LAUBAEHRSA-N 1 3 370.541 2.741 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NCCN3C[C@H]4CC[C@@H](C3)O4)[C@@H]3CCC[C@@H]32)cc1 ZINC000453323726 514601419 /nfs/dbraw/zinc/60/14/19/514601419.db2.gz BICIOWYCLNIPKW-SPHOGXRMSA-N 1 3 369.553 2.882 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NCCN3C[C@H]4CC[C@@H](C3)O4)[C@@H]3CCC[C@@H]32)cc1 ZINC000453323726 514601421 /nfs/dbraw/zinc/60/14/21/514601421.db2.gz BICIOWYCLNIPKW-SPHOGXRMSA-N 1 3 369.553 2.882 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000461447696 514620695 /nfs/dbraw/zinc/62/06/95/514620695.db2.gz OWTAYOLODINMNV-LEWJYISDSA-N 1 3 355.526 2.699 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000461447696 514620698 /nfs/dbraw/zinc/62/06/98/514620698.db2.gz OWTAYOLODINMNV-LEWJYISDSA-N 1 3 355.526 2.699 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000466427124 514644287 /nfs/dbraw/zinc/64/42/87/514644287.db2.gz VLWFVFPSZVWHTF-OXJNMPFZSA-N 1 3 358.530 2.810 20 0 FFADHO CC[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000508044240 514644953 /nfs/dbraw/zinc/64/49/53/514644953.db2.gz KYJWNBSVAGSJPM-FQEVSTJZSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000497835248 514654028 /nfs/dbraw/zinc/65/40/28/514654028.db2.gz DZOQEEJUSGRGFT-ILZDJORESA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000497835248 514654037 /nfs/dbraw/zinc/65/40/37/514654037.db2.gz DZOQEEJUSGRGFT-ILZDJORESA-N 1 3 358.530 2.994 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000466498555 514664013 /nfs/dbraw/zinc/66/40/13/514664013.db2.gz FCOTYXCHTMVZRK-JFIYKMOQSA-N 1 3 350.551 2.669 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000466498555 514664025 /nfs/dbraw/zinc/66/40/25/514664025.db2.gz FCOTYXCHTMVZRK-JFIYKMOQSA-N 1 3 350.551 2.669 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000458259544 514668846 /nfs/dbraw/zinc/66/88/46/514668846.db2.gz GSZQHAMDZOZMJW-LEWJYISDSA-N 1 3 372.557 2.675 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000458259544 514668852 /nfs/dbraw/zinc/66/88/52/514668852.db2.gz GSZQHAMDZOZMJW-LEWJYISDSA-N 1 3 372.557 2.675 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@H](C)C1 ZINC000461730792 514709770 /nfs/dbraw/zinc/70/97/70/514709770.db2.gz SEAYBDNGKQIBRU-QWFCFKBJSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@H](C)C1 ZINC000461730792 514709777 /nfs/dbraw/zinc/70/97/77/514709777.db2.gz SEAYBDNGKQIBRU-QWFCFKBJSA-N 1 3 360.546 2.879 20 0 FFADHO O[C@H](COc1ccccc1F)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471023473 514721881 /nfs/dbraw/zinc/72/18/81/514721881.db2.gz TYSKVSSFZLWVJF-ZCNNSNEGSA-N 1 3 370.468 2.629 20 0 FFADHO O[C@H](COc1ccccc1F)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471023473 514721893 /nfs/dbraw/zinc/72/18/93/514721893.db2.gz TYSKVSSFZLWVJF-ZCNNSNEGSA-N 1 3 370.468 2.629 20 0 FFADHO O[C@@H](COc1ccccc1F)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471023472 514722237 /nfs/dbraw/zinc/72/22/37/514722237.db2.gz TYSKVSSFZLWVJF-HSALFYBXSA-N 1 3 370.468 2.629 20 0 FFADHO O[C@@H](COc1ccccc1F)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471023472 514722247 /nfs/dbraw/zinc/72/22/47/514722247.db2.gz TYSKVSSFZLWVJF-HSALFYBXSA-N 1 3 370.468 2.629 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489133647 514724050 /nfs/dbraw/zinc/72/40/50/514724050.db2.gz GUTFRXRFSQAFAZ-HBFSDRIKSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489133647 514724057 /nfs/dbraw/zinc/72/40/57/514724057.db2.gz GUTFRXRFSQAFAZ-HBFSDRIKSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000508330228 514746154 /nfs/dbraw/zinc/74/61/54/514746154.db2.gz GXODYNDIGIZOPO-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000502807912 514786763 /nfs/dbraw/zinc/78/67/63/514786763.db2.gz DTXBXMFQZIPYGA-INIZCTEOSA-N 1 3 364.559 2.696 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000502829465 514797713 /nfs/dbraw/zinc/79/77/13/514797713.db2.gz YXRSLOBNXQSNNA-BMHOQUIDSA-N 1 3 350.551 2.811 20 0 FFADHO CN1CCC[C@H](C[N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000508577707 514826420 /nfs/dbraw/zinc/82/64/20/514826420.db2.gz JGHDWEDDMGAPQY-ZDUSSCGKSA-N 1 3 369.303 2.994 20 0 FFADHO CN1CCC[C@H](C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000508577707 514826430 /nfs/dbraw/zinc/82/64/30/514826430.db2.gz JGHDWEDDMGAPQY-ZDUSSCGKSA-N 1 3 369.303 2.994 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000484972463 514858772 /nfs/dbraw/zinc/85/87/72/514858772.db2.gz OMYIOPBQBYPPJQ-PXNSSMCTSA-N 1 3 351.494 2.951 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000458542546 514885061 /nfs/dbraw/zinc/88/50/61/514885061.db2.gz SRUODZPIHROYMJ-QGZVFWFLSA-N 1 3 366.575 2.799 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000458542546 514885075 /nfs/dbraw/zinc/88/50/75/514885075.db2.gz SRUODZPIHROYMJ-QGZVFWFLSA-N 1 3 366.575 2.799 20 0 FFADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000480263496 514901824 /nfs/dbraw/zinc/90/18/24/514901824.db2.gz MFTBGTBCISCPRO-OAHLLOKOSA-N 1 3 361.511 2.971 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CN1Cc1ccccc1 ZINC000458561550 514902633 /nfs/dbraw/zinc/90/26/33/514902633.db2.gz RAHDEOMGSPHDCO-KAGYGMCKSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CN1Cc1ccccc1 ZINC000458561550 514902634 /nfs/dbraw/zinc/90/26/34/514902634.db2.gz RAHDEOMGSPHDCO-KAGYGMCKSA-N 1 3 370.541 2.777 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489619162 514918637 /nfs/dbraw/zinc/91/86/37/514918637.db2.gz AFKZBWAKSRSBTP-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489619162 514918644 /nfs/dbraw/zinc/91/86/44/514918644.db2.gz AFKZBWAKSRSBTP-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1)N(C)C ZINC000508873203 514930896 /nfs/dbraw/zinc/93/08/96/514930896.db2.gz SOLHKBFGUJVIDN-XLIONFOSSA-N 1 3 360.546 2.969 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC(C)(C)CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000458592499 514933779 /nfs/dbraw/zinc/93/37/79/514933779.db2.gz MMYCEKXSGQKTAC-MJGOQNOKSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC(C)(C)CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000458592499 514933782 /nfs/dbraw/zinc/93/37/82/514933782.db2.gz MMYCEKXSGQKTAC-MJGOQNOKSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](N2CC=CC2)C1)[NH+](C)C ZINC000508878190 514934334 /nfs/dbraw/zinc/93/43/34/514934334.db2.gz GUGJPXHVJNQJIF-NSHGMRRFSA-N 1 3 356.514 2.642 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462201590 514938646 /nfs/dbraw/zinc/93/86/46/514938646.db2.gz UPRPELBRVKHXNV-NLWGTHIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462214522 514942185 /nfs/dbraw/zinc/94/21/85/514942185.db2.gz NLBBEMXTLVHEBR-SLYNCCJLSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000462214522 514942196 /nfs/dbraw/zinc/94/21/96/514942196.db2.gz NLBBEMXTLVHEBR-SLYNCCJLSA-N 1 3 370.541 2.823 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCc1nnnn1-c1ccccc1 ZINC000503180834 514945994 /nfs/dbraw/zinc/94/59/94/514945994.db2.gz CZORRMHFOXNSES-HKUYNNGSSA-N 1 3 356.518 2.695 20 0 FFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000503180834 514946003 /nfs/dbraw/zinc/94/60/03/514946003.db2.gz CZORRMHFOXNSES-HKUYNNGSSA-N 1 3 356.518 2.695 20 0 FFADHO C[C@H](CC[NH+]1CCN(C)CC1)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000471595035 514946341 /nfs/dbraw/zinc/94/63/41/514946341.db2.gz RZVAMXCUHWWFQT-NEPJUHHUSA-N 1 3 350.454 2.839 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508902340 514947592 /nfs/dbraw/zinc/94/75/92/514947592.db2.gz CWJMWZBKGFTREL-YSIASYRMSA-N 1 3 358.530 2.948 20 0 FFADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476250532 514966548 /nfs/dbraw/zinc/96/65/48/514966548.db2.gz CNCSPJNSUNFTMR-UYAOXDASSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476250532 514966557 /nfs/dbraw/zinc/96/65/57/514966557.db2.gz CNCSPJNSUNFTMR-UYAOXDASSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCCN(C)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458626015 514968648 /nfs/dbraw/zinc/96/86/48/514968648.db2.gz FXAQFTXBLGGJQY-BBTUJRGHSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCCN(C)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458626015 514968658 /nfs/dbraw/zinc/96/86/58/514968658.db2.gz FXAQFTXBLGGJQY-BBTUJRGHSA-N 1 3 362.562 2.767 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458653185 514989029 /nfs/dbraw/zinc/98/90/29/514989029.db2.gz QAYJPONXXMDGLM-MISYRCLQSA-N 1 3 358.530 2.631 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458653185 514989040 /nfs/dbraw/zinc/98/90/40/514989040.db2.gz QAYJPONXXMDGLM-MISYRCLQSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@]1(C[NH3+])CCN(CCCOc2cccc(I)c2)C1 ZINC000509043468 515000450 /nfs/dbraw/zinc/00/04/50/515000450.db2.gz IRKVBVUMDOEFPN-HNNXBMFYSA-N 1 3 374.266 2.731 20 0 FFADHO C[C@@]1(CN)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000509043468 515000460 /nfs/dbraw/zinc/00/04/60/515000460.db2.gz IRKVBVUMDOEFPN-HNNXBMFYSA-N 1 3 374.266 2.731 20 0 FFADHO C[C@@]1(CN)CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000509043468 515000469 /nfs/dbraw/zinc/00/04/69/515000469.db2.gz IRKVBVUMDOEFPN-HNNXBMFYSA-N 1 3 374.266 2.731 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC000458688753 515019596 /nfs/dbraw/zinc/01/95/96/515019596.db2.gz OHSKIPFMXKMSDX-QGZVFWFLSA-N 1 3 364.559 2.795 20 0 FFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCCN3C3CCOCC3)ccc21 ZINC000456275936 515065078 /nfs/dbraw/zinc/06/50/78/515065078.db2.gz NKNOBPUWWWFPSQ-VQTJNVASSA-N 1 3 357.498 2.817 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccco1 ZINC000458767948 515077693 /nfs/dbraw/zinc/07/76/93/515077693.db2.gz LVUORJBWXXMIIM-RYRKJORJSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccco1 ZINC000458767948 515077699 /nfs/dbraw/zinc/07/76/99/515077699.db2.gz LVUORJBWXXMIIM-RYRKJORJSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1ccco1 ZINC000458767948 515077706 /nfs/dbraw/zinc/07/77/06/515077706.db2.gz LVUORJBWXXMIIM-RYRKJORJSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000503552316 515080667 /nfs/dbraw/zinc/08/06/67/515080667.db2.gz RJKPSBMDKITCNQ-MAUKXSAKSA-N 1 3 362.518 2.882 20 0 FFADHO Cc1ccc2[nH]c(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc2c1C ZINC000472073387 515111336 /nfs/dbraw/zinc/11/13/36/515111336.db2.gz JMCQNLAAKFAQQV-FQEVSTJZSA-N 1 3 358.530 2.967 20 0 FFADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485636828 515120996 /nfs/dbraw/zinc/12/09/96/515120996.db2.gz QQXUJPPHLFWCLS-HXUWFJFHSA-N 1 3 372.557 2.819 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000472110125 515126453 /nfs/dbraw/zinc/12/64/53/515126453.db2.gz HSUNQJZTPYQPIN-FQEVSTJZSA-N 1 3 360.546 2.677 20 0 FFADHO CCN1CC[C@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000509329269 515127797 /nfs/dbraw/zinc/12/77/97/515127797.db2.gz XXAYPZHIOLXVPY-UNMCSNQZSA-N 1 3 358.574 2.861 20 0 FFADHO CCN1CC[C@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000509329269 515127800 /nfs/dbraw/zinc/12/78/00/515127800.db2.gz XXAYPZHIOLXVPY-UNMCSNQZSA-N 1 3 358.574 2.861 20 0 FFADHO C[N@H+](CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000509346678 515133554 /nfs/dbraw/zinc/13/35/54/515133554.db2.gz VZQGEWFNZDIVRX-GOSISDBHSA-N 1 3 369.431 2.651 20 0 FFADHO C[N@@H+](CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000509346678 515133565 /nfs/dbraw/zinc/13/35/65/515133565.db2.gz VZQGEWFNZDIVRX-GOSISDBHSA-N 1 3 369.431 2.651 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCC1 ZINC000481025250 515176115 /nfs/dbraw/zinc/17/61/15/515176115.db2.gz PCQZCJIGDAQAJK-IEBWSBKVSA-N 1 3 370.607 2.624 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000458941784 515218283 /nfs/dbraw/zinc/21/82/83/515218283.db2.gz UIDKTLKRIPTBAM-FHWLQOOXSA-N 1 3 350.551 2.765 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499197514 515233853 /nfs/dbraw/zinc/23/38/53/515233853.db2.gz TXIAORPPKKRTEI-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499197514 515233860 /nfs/dbraw/zinc/23/38/60/515233860.db2.gz TXIAORPPKKRTEI-RLLQIKCJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CN1Cc1ccccc1 ZINC000499195297 515233903 /nfs/dbraw/zinc/23/39/03/515233903.db2.gz TYTWMOKWRZYAOE-ZFMNYDKASA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccco1 ZINC000509583352 515243159 /nfs/dbraw/zinc/24/31/59/515243159.db2.gz JUWHFMRDLVUUAH-RDJZCZTQSA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccco1 ZINC000509592891 515249081 /nfs/dbraw/zinc/24/90/81/515249081.db2.gz BMDNNTGJGIDZJN-RCCFBDPRSA-N 1 3 362.518 2.979 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccco1 ZINC000509592925 515249945 /nfs/dbraw/zinc/24/99/45/515249945.db2.gz BRGGNHDJGOGJQH-OKZBNKHCSA-N 1 3 362.518 2.979 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459041622 515280162 /nfs/dbraw/zinc/28/01/62/515280162.db2.gz BGVBJMLLWAFOTN-AYHJJNSGSA-N 1 3 362.493 2.524 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459041622 515280171 /nfs/dbraw/zinc/28/01/71/515280171.db2.gz BGVBJMLLWAFOTN-AYHJJNSGSA-N 1 3 362.493 2.524 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(C)c(C)c1 ZINC000499511132 515352717 /nfs/dbraw/zinc/35/27/17/515352717.db2.gz YVLVRUUVLIJWMV-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(C)c(C)c1 ZINC000499511132 515352724 /nfs/dbraw/zinc/35/27/24/515352724.db2.gz YVLVRUUVLIJWMV-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO CC[C@H](CNC(=O)N(CC)CCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000468429358 515355753 /nfs/dbraw/zinc/35/57/53/515355753.db2.gz UMRUMMCXVJNZMH-HXUWFJFHSA-N 1 3 360.546 2.807 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCCN1C ZINC000477193265 515365767 /nfs/dbraw/zinc/36/57/67/515365767.db2.gz LMHADFYPBZCWNF-LSTHTHJFSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCCN1C ZINC000477193265 515365773 /nfs/dbraw/zinc/36/57/73/515365773.db2.gz LMHADFYPBZCWNF-LSTHTHJFSA-N 1 3 358.530 2.679 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C3CC3)C2)CC1 ZINC000491300321 515409211 /nfs/dbraw/zinc/40/92/11/515409211.db2.gz HODDSHJDCVSNPK-HXUWFJFHSA-N 1 3 355.526 2.808 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459257530 515426596 /nfs/dbraw/zinc/42/65/96/515426596.db2.gz JHQDSFRRTLDJAW-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459257530 515426605 /nfs/dbraw/zinc/42/66/05/515426605.db2.gz JHQDSFRRTLDJAW-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481703542 515431169 /nfs/dbraw/zinc/43/11/69/515431169.db2.gz LJDKWQHKGOIUQG-APWZRJJASA-N 1 3 370.607 2.624 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481703542 515431176 /nfs/dbraw/zinc/43/11/76/515431176.db2.gz LJDKWQHKGOIUQG-APWZRJJASA-N 1 3 370.607 2.624 20 0 FFADHO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505296424 515500307 /nfs/dbraw/zinc/50/03/07/515500307.db2.gz UUYDOCMQFYAYIB-GOSISDBHSA-N 1 3 367.484 2.990 20 0 FFADHO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000505296424 515500313 /nfs/dbraw/zinc/50/03/13/515500313.db2.gz UUYDOCMQFYAYIB-GOSISDBHSA-N 1 3 367.484 2.990 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000473213382 515538495 /nfs/dbraw/zinc/53/84/95/515538495.db2.gz FJQBXOOSLATHPY-BJLQDIEVSA-N 1 3 367.578 2.891 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000486577581 515546028 /nfs/dbraw/zinc/54/60/28/515546028.db2.gz ARJDTISYARRADM-CBQOVEMMSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000486577581 515546037 /nfs/dbraw/zinc/54/60/37/515546037.db2.gz ARJDTISYARRADM-CBQOVEMMSA-N 1 3 355.526 2.699 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(CC)C2CCCCC2)[C@@H](C)C1 ZINC000482156704 515591870 /nfs/dbraw/zinc/59/18/70/515591870.db2.gz LZWUYKYJVVGSSJ-ICSRJNTNSA-N 1 3 367.578 2.894 20 0 FFADHO C[NH+](C)CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000505635809 515617734 /nfs/dbraw/zinc/61/77/34/515617734.db2.gz WABGXMQPPBAVEX-SFHVURJKSA-N 1 3 365.468 2.696 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCC1 ZINC000454653748 515642837 /nfs/dbraw/zinc/64/28/37/515642837.db2.gz XHWGICUYLQAYCR-SFHVURJKSA-N 1 3 356.514 2.577 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCC1 ZINC000454653748 515642846 /nfs/dbraw/zinc/64/28/46/515642846.db2.gz XHWGICUYLQAYCR-SFHVURJKSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000473558906 515662650 /nfs/dbraw/zinc/66/26/50/515662650.db2.gz BSXHBKNWQYQKAQ-WRJHFWDFSA-N 1 3 355.526 2.838 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000473558906 515662656 /nfs/dbraw/zinc/66/26/56/515662656.db2.gz BSXHBKNWQYQKAQ-WRJHFWDFSA-N 1 3 355.526 2.838 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC(F)F)cc1 ZINC000505807005 515680435 /nfs/dbraw/zinc/68/04/35/515680435.db2.gz NWYLPHGTBDVRCY-MRXNPFEDSA-N 1 3 369.456 2.776 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC(F)F)cc1 ZINC000505807005 515680440 /nfs/dbraw/zinc/68/04/40/515680440.db2.gz NWYLPHGTBDVRCY-MRXNPFEDSA-N 1 3 369.456 2.776 20 0 FFADHO CC[N@H+](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000510829240 515682713 /nfs/dbraw/zinc/68/27/13/515682713.db2.gz UQHRHCDDHNZAFU-GOSISDBHSA-N 1 3 365.468 2.744 20 0 FFADHO CC[N@@H+](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000510829240 515682723 /nfs/dbraw/zinc/68/27/23/515682723.db2.gz UQHRHCDDHNZAFU-GOSISDBHSA-N 1 3 365.468 2.744 20 0 FFADHO CCc1ccccc1OCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000505838787 515691618 /nfs/dbraw/zinc/69/16/18/515691618.db2.gz MASNDXMGYRXRDL-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO CCc1ccccc1OCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000505838787 515691629 /nfs/dbraw/zinc/69/16/29/515691629.db2.gz MASNDXMGYRXRDL-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO C[C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000510894151 515707764 /nfs/dbraw/zinc/70/77/64/515707764.db2.gz NSSHXMWHSQZPCY-ZACQAIPSSA-N 1 3 353.576 2.726 20 0 FFADHO CC(C)N1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000500482010 515732860 /nfs/dbraw/zinc/73/28/60/515732860.db2.gz CKPSNWSWUBPXKQ-RRFJBIMHSA-N 1 3 363.468 2.884 20 0 FFADHO CC(C)N1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000500482010 515732870 /nfs/dbraw/zinc/73/28/70/515732870.db2.gz CKPSNWSWUBPXKQ-RRFJBIMHSA-N 1 3 363.468 2.884 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506022638 515754126 /nfs/dbraw/zinc/75/41/26/515754126.db2.gz VWZMVHJFEJUSBK-GOSISDBHSA-N 1 3 365.468 2.746 20 0 FFADHO COc1cc(F)c([C@@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000482889729 515838118 /nfs/dbraw/zinc/83/81/18/515838118.db2.gz PDSMPXDUQKRTOX-CABCVRRESA-N 1 3 354.466 2.730 20 0 FFADHO COc1cc(F)c([C@@H](C)NCCCC[N@H+]2CCC[C@H]2CO)cc1OC ZINC000482889729 515838129 /nfs/dbraw/zinc/83/81/29/515838129.db2.gz PDSMPXDUQKRTOX-CABCVRRESA-N 1 3 354.466 2.730 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000487534758 515895736 /nfs/dbraw/zinc/89/57/36/515895736.db2.gz HJDXYRUOXKZJJW-KSZLIROESA-N 1 3 350.551 2.623 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)N(C)C)cc1 ZINC000487547096 515902300 /nfs/dbraw/zinc/90/23/00/515902300.db2.gz ZPJBLRFZHRORBG-PZJWPPBQSA-N 1 3 358.530 2.589 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)N(C)C)cc1 ZINC000487547096 515902309 /nfs/dbraw/zinc/90/23/09/515902309.db2.gz ZPJBLRFZHRORBG-PZJWPPBQSA-N 1 3 358.530 2.589 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC000501004480 515933657 /nfs/dbraw/zinc/93/36/57/515933657.db2.gz AKPFKZJMLKBIKF-NJYVYQBISA-N 1 3 350.595 2.740 20 0 FFADHO CN(CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511548970 515941302 /nfs/dbraw/zinc/94/13/02/515941302.db2.gz ZWTZXPJUTQBELD-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO CN(CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511548970 515941313 /nfs/dbraw/zinc/94/13/13/515941313.db2.gz ZWTZXPJUTQBELD-IBGZPJMESA-N 1 3 358.530 2.681 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000511568032 515945910 /nfs/dbraw/zinc/94/59/10/515945910.db2.gz XFHJPJIZLBLXAF-QUCCMNQESA-N 1 3 370.541 2.823 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000511568032 515945920 /nfs/dbraw/zinc/94/59/20/515945920.db2.gz XFHJPJIZLBLXAF-QUCCMNQESA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000487816889 515988647 /nfs/dbraw/zinc/98/86/47/515988647.db2.gz FEBQWDOXMTZWOD-QRVBRYPASA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000469897931 516021513 /nfs/dbraw/zinc/02/15/13/516021513.db2.gz BOAKEHGUQDTYMF-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@H]1C ZINC000474465911 516055855 /nfs/dbraw/zinc/05/58/55/516055855.db2.gz ARGAVXFAAZETHE-DZFGPLHGSA-N 1 3 373.541 2.501 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)N1CCc2ccccc2C1 ZINC000501330745 516064832 /nfs/dbraw/zinc/06/48/32/516064832.db2.gz JHTMJXOQDPNNBI-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)N1CCc2ccccc2C1 ZINC000501330745 516064840 /nfs/dbraw/zinc/06/48/40/516064840.db2.gz JHTMJXOQDPNNBI-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)C2)C1 ZINC000457686617 516069061 /nfs/dbraw/zinc/06/90/61/516069061.db2.gz ZRWCVESXLGKSIY-JOCHJYFZSA-N 1 3 370.541 2.910 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000511917518 516077330 /nfs/dbraw/zinc/07/73/30/516077330.db2.gz VNRHEOBGXJRIOR-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000511917518 516077341 /nfs/dbraw/zinc/07/73/41/516077341.db2.gz VNRHEOBGXJRIOR-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000488046983 516095278 /nfs/dbraw/zinc/09/52/78/516095278.db2.gz WBMUOSQRMYEKOA-AZUAARDMSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@H+](C2CCC2)C1 ZINC000488046983 516095288 /nfs/dbraw/zinc/09/52/88/516095288.db2.gz WBMUOSQRMYEKOA-AZUAARDMSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479218183 516112844 /nfs/dbraw/zinc/11/28/44/516112844.db2.gz FEOZEXUVQZTUBA-YSGRDPCXSA-N 1 3 355.457 2.820 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(OC)cc1Br ZINC000512006801 516114097 /nfs/dbraw/zinc/11/40/97/516114097.db2.gz IFTSOMAOWOPVJV-HNNXBMFYSA-N 1 3 359.308 2.904 20 0 FFADHO CCN(CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000460346812 516124420 /nfs/dbraw/zinc/12/44/20/516124420.db2.gz HZQPSZVFKXVEQL-PMACEKPBSA-N 1 3 370.541 2.634 20 0 FFADHO CCN(CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000460346812 516124428 /nfs/dbraw/zinc/12/44/28/516124428.db2.gz HZQPSZVFKXVEQL-PMACEKPBSA-N 1 3 370.541 2.634 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000465419103 516147641 /nfs/dbraw/zinc/14/76/41/516147641.db2.gz ALLLXMLPNUTXCS-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO O[C@H](C[NH2+][C@H]1CCCc2cc(Br)ccc21)CN1CCCC1 ZINC000479361939 516165627 /nfs/dbraw/zinc/16/56/27/516165627.db2.gz QSILSHCURJSMCX-WBVHZDCISA-N 1 3 353.304 2.873 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000479398441 516179812 /nfs/dbraw/zinc/17/98/12/516179812.db2.gz XOLYPXGREMYHPI-IAGOWNOFSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1C ZINC000465592738 516205768 /nfs/dbraw/zinc/20/57/68/516205768.db2.gz GEZKKMPRRDQWLH-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000488432318 516223835 /nfs/dbraw/zinc/22/38/35/516223835.db2.gz SNWHHRFIJXVLNC-LPHOPBHVSA-N 1 3 364.534 2.716 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000457944997 516246203 /nfs/dbraw/zinc/24/62/03/516246203.db2.gz ZGYGQHNUSDVYKM-UZKOGDIHSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000457944997 516246211 /nfs/dbraw/zinc/24/62/11/516246211.db2.gz ZGYGQHNUSDVYKM-UZKOGDIHSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@@H](CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000501913635 516264592 /nfs/dbraw/zinc/26/45/92/516264592.db2.gz KPMJYRLPAGHHHC-QFBILLFUSA-N 1 3 364.509 2.992 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000460879542 516274461 /nfs/dbraw/zinc/27/44/61/516274461.db2.gz IZISZMMBSZZYAQ-GFOJFJKKSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000460879542 516274467 /nfs/dbraw/zinc/27/44/67/516274467.db2.gz IZISZMMBSZZYAQ-GFOJFJKKSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1C ZINC000465869189 516275840 /nfs/dbraw/zinc/27/58/40/516275840.db2.gz FHGIUQIQLXPUBH-AHSZXGJYSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C ZINC000465869189 516275844 /nfs/dbraw/zinc/27/58/44/516275844.db2.gz FHGIUQIQLXPUBH-AHSZXGJYSA-N 1 3 370.541 2.964 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000488681289 516286879 /nfs/dbraw/zinc/28/68/79/516286879.db2.gz UGGNOJPOFORZOB-JENIJYKNSA-N 1 3 350.551 2.623 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000502156191 516312082 /nfs/dbraw/zinc/31/20/82/516312082.db2.gz JVGZTRXWZIUWMG-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000502156191 516312086 /nfs/dbraw/zinc/31/20/86/516312086.db2.gz JVGZTRXWZIUWMG-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000507845709 516312690 /nfs/dbraw/zinc/31/26/90/516312690.db2.gz QUIAWGPKQCDCKX-GOSISDBHSA-N 1 3 361.505 2.886 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497491103 516323846 /nfs/dbraw/zinc/32/38/46/516323846.db2.gz QDPIPHJUBVIASD-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497491103 516323847 /nfs/dbraw/zinc/32/38/47/516323847.db2.gz QDPIPHJUBVIASD-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000522852301 516332120 /nfs/dbraw/zinc/33/21/20/516332120.db2.gz SQYGLKYSNPOFQO-PZJWPPBQSA-N 1 3 357.542 2.932 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000522852301 516332130 /nfs/dbraw/zinc/33/21/30/516332130.db2.gz SQYGLKYSNPOFQO-PZJWPPBQSA-N 1 3 357.542 2.932 20 0 FFADHO CCc1ccc(C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000531190618 516338310 /nfs/dbraw/zinc/33/83/10/516338310.db2.gz NMPLOBVGVGERKS-UHFFFAOYSA-N 1 3 362.562 2.661 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C)CCC(F)(F)CC3)CC2)CC1 ZINC000528314575 516341583 /nfs/dbraw/zinc/34/15/83/516341583.db2.gz IUZHHKILZPQSHW-UHFFFAOYSA-N 1 3 357.489 2.877 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000561045506 516350344 /nfs/dbraw/zinc/35/03/44/516350344.db2.gz NLEJQAOGSKIGIX-HXUWFJFHSA-N 1 3 368.481 2.765 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000523002993 516370993 /nfs/dbraw/zinc/37/09/93/516370993.db2.gz COWZTHOHOXPUFB-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000561151126 516409572 /nfs/dbraw/zinc/40/95/72/516409572.db2.gz ARNSVSVNIBYOAU-GVDBMIGSSA-N 1 3 364.559 2.729 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000561195914 516443241 /nfs/dbraw/zinc/44/32/41/516443241.db2.gz BQVRYRLGAPWCHQ-MOPGFXCFSA-N 1 3 358.530 2.511 20 0 FFADHO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000523366145 516450569 /nfs/dbraw/zinc/45/05/69/516450569.db2.gz ZJNHYPIFSDQKON-IBGZPJMESA-N 1 3 352.482 2.994 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000561208489 516452118 /nfs/dbraw/zinc/45/21/18/516452118.db2.gz ILAVMIGAWUEING-QUCCMNQESA-N 1 3 373.545 2.847 20 0 FFADHO COc1cc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1C ZINC000554486347 516460873 /nfs/dbraw/zinc/46/08/73/516460873.db2.gz LVDFKLXBNFIYJS-UHFFFAOYSA-N 1 3 350.507 2.578 20 0 FFADHO CC[C@H](Cn1cncn1)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000550887006 516468833 /nfs/dbraw/zinc/46/88/33/516468833.db2.gz VILOBSRMSWTWJH-HXUWFJFHSA-N 1 3 370.545 2.557 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531482945 516489940 /nfs/dbraw/zinc/48/99/40/516489940.db2.gz ANDAQCYOCHQWSQ-GIVPXCGWSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531482945 516489946 /nfs/dbraw/zinc/48/99/46/516489946.db2.gz ANDAQCYOCHQWSQ-GIVPXCGWSA-N 1 3 372.557 2.927 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+](CC)C1CC1)N1CCc2ccccc2C1 ZINC000523885805 516602289 /nfs/dbraw/zinc/60/22/89/516602289.db2.gz OAQKHPXMIQYSIU-LJQANCHMSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+](CC)C1CC1)N1CCc2ccccc2C1 ZINC000523885805 516602297 /nfs/dbraw/zinc/60/22/97/516602297.db2.gz OAQKHPXMIQYSIU-LJQANCHMSA-N 1 3 358.530 2.607 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528682919 516613822 /nfs/dbraw/zinc/61/38/22/516613822.db2.gz DHOIFOMOLJUSRI-IBGZPJMESA-N 1 3 372.513 2.957 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000518371075 516632767 /nfs/dbraw/zinc/63/27/67/516632767.db2.gz MYCQQNQSYVALLI-WOIUINJBSA-N 1 3 371.525 2.796 20 0 FFADHO Cc1cc([C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)ccc1F ZINC000536212343 516676760 /nfs/dbraw/zinc/67/67/60/516676760.db2.gz BEVIFLLQZYDUQU-LJQANCHMSA-N 1 3 364.509 2.720 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000544293632 516682973 /nfs/dbraw/zinc/68/29/73/516682973.db2.gz UJTKMSGVWCACFA-DLBZAZTESA-N 1 3 372.623 2.822 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](SC)C(C)(C)C ZINC000544293632 516682981 /nfs/dbraw/zinc/68/29/81/516682981.db2.gz UJTKMSGVWCACFA-DLBZAZTESA-N 1 3 372.623 2.822 20 0 FFADHO c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000513656630 516708187 /nfs/dbraw/zinc/70/81/87/516708187.db2.gz WAIQUFIPPIWMGI-WOZUAGRISA-N 1 3 365.525 2.873 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000558382945 516712170 /nfs/dbraw/zinc/71/21/70/516712170.db2.gz VSHWQLWCYZAEOR-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524474458 516732541 /nfs/dbraw/zinc/73/25/41/516732541.db2.gz UNQVKQJUTDRRFU-VQTJNVASSA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[NH+]1CCCCC1 ZINC000524653493 516779534 /nfs/dbraw/zinc/77/95/34/516779534.db2.gz VVHMDAVRJIJKKJ-OAQYLSRUSA-N 1 3 372.557 2.883 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000532074820 516786540 /nfs/dbraw/zinc/78/65/40/516786540.db2.gz KNZGYLODKBISJX-LJQANCHMSA-N 1 3 353.514 2.589 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN4CCC3CC4)cc2)CC1 ZINC000551620124 516789569 /nfs/dbraw/zinc/78/95/69/516789569.db2.gz RHHLLNXZXXWKLX-UHFFFAOYSA-N 1 3 370.541 2.908 20 0 FFADHO CC(C)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(F)c1 ZINC000540986280 516817133 /nfs/dbraw/zinc/81/71/33/516817133.db2.gz DMBQPYYQFFYHIZ-CRAIPNDOSA-N 1 3 353.457 2.839 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514062983 516845240 /nfs/dbraw/zinc/84/52/40/516845240.db2.gz OWFXYNYXXQBLIE-HKBOAZHASA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000514062983 516845250 /nfs/dbraw/zinc/84/52/50/516845250.db2.gz OWFXYNYXXQBLIE-HKBOAZHASA-N 1 3 370.541 2.967 20 0 FFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N1CCN(c2ccccc2)CC1 ZINC000514089050 516855865 /nfs/dbraw/zinc/85/58/65/516855865.db2.gz NQDMFUPAEVEAOB-NMIHRBCNSA-N 1 3 356.558 2.660 20 0 FFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)N1CCN(c2ccccc2)CC1 ZINC000514089050 516855876 /nfs/dbraw/zinc/85/58/76/516855876.db2.gz NQDMFUPAEVEAOB-NMIHRBCNSA-N 1 3 356.558 2.660 20 0 FFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCCN4CCOCC4)[C@H]3C2)cc1 ZINC000514100197 516862130 /nfs/dbraw/zinc/86/21/30/516862130.db2.gz UBFAFNFGAZYFBA-VABKMULXSA-N 1 3 371.569 2.989 20 0 FFADHO CN(C)CCOc1ccccc1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532464421 516990226 /nfs/dbraw/zinc/99/02/26/516990226.db2.gz IKZLKHZMIXTFFU-UHFFFAOYSA-N 1 3 360.420 2.953 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)[C@H](C)C1 ZINC000532545152 517029098 /nfs/dbraw/zinc/02/90/98/517029098.db2.gz DEDFOSZEOHSAAU-AOIWGVFYSA-N 1 3 364.509 2.526 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)[C@H](C)C1 ZINC000532545152 517029107 /nfs/dbraw/zinc/02/91/07/517029107.db2.gz DEDFOSZEOHSAAU-AOIWGVFYSA-N 1 3 364.509 2.526 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C[C@@H]21 ZINC000519589717 517063392 /nfs/dbraw/zinc/06/33/92/517063392.db2.gz ADSYUSXWTLHHOR-IYWMVGAKSA-N 1 3 356.514 2.592 20 0 FFADHO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000529359698 517099783 /nfs/dbraw/zinc/09/97/83/517099783.db2.gz MRVQEXGRKAOAPE-RTBURBONSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCN1 ZINC000529388620 517118298 /nfs/dbraw/zinc/11/82/98/517118298.db2.gz SENMBQWDUBQGMY-ABAIWWIYSA-N 1 3 359.301 2.599 20 0 FFADHO C[C@@H](NCCCC[NH+]1CCN(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000545231975 517119330 /nfs/dbraw/zinc/11/93/30/517119330.db2.gz AYZYBUVAWJEJNH-GFCCVEGCSA-N 1 3 350.454 2.840 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000559332070 517189361 /nfs/dbraw/zinc/18/93/61/517189361.db2.gz PVQUUAFCGUONSZ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000559332070 517189366 /nfs/dbraw/zinc/18/93/66/517189366.db2.gz PVQUUAFCGUONSZ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000515084494 517206255 /nfs/dbraw/zinc/20/62/55/517206255.db2.gz JAJHONHAICZTFT-RTBURBONSA-N 1 3 361.505 2.838 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000515084494 517206264 /nfs/dbraw/zinc/20/62/64/517206264.db2.gz JAJHONHAICZTFT-RTBURBONSA-N 1 3 361.505 2.838 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000519837794 517213633 /nfs/dbraw/zinc/21/36/33/517213633.db2.gz CAQQQVQFZXBIHI-WSTZPKSXSA-N 1 3 358.530 2.775 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H](C(C)C)N2CCCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000541841852 517245612 /nfs/dbraw/zinc/24/56/12/517245612.db2.gz LWGXBTWANPPTBG-RCCFBDPRSA-N 1 3 353.576 2.535 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000545487415 517262267 /nfs/dbraw/zinc/26/22/67/517262267.db2.gz VPBJTCOLGMDJND-QGZVFWFLSA-N 1 3 360.546 2.761 20 0 FFADHO CN(c1ccccc1C[NH+]1CCC(CCC(N)=O)CC1)C1CCN(C)CC1 ZINC000537616300 517262932 /nfs/dbraw/zinc/26/29/32/517262932.db2.gz KDBXYAOROUICTN-UHFFFAOYSA-N 1 3 372.557 2.695 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529719069 517308805 /nfs/dbraw/zinc/30/88/05/517308805.db2.gz LGZRETJHRGVMDG-OAQYLSRUSA-N 1 3 355.526 2.958 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529719069 517308814 /nfs/dbraw/zinc/30/88/14/517308814.db2.gz LGZRETJHRGVMDG-OAQYLSRUSA-N 1 3 355.526 2.958 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCCN1C ZINC000520438766 517393413 /nfs/dbraw/zinc/39/34/13/517393413.db2.gz WJPBTBZIDHKLLN-MRXNPFEDSA-N 1 3 352.548 2.696 20 0 FFADHO O[C@@H](C[NH2+][C@@H]1CCCc2c(Br)cccc21)CN1CCCC1 ZINC000542151960 517407757 /nfs/dbraw/zinc/40/77/57/517407757.db2.gz ZBYSTQDIILHGJJ-SUMWQHHRSA-N 1 3 353.304 2.873 20 0 FFADHO C[C@@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000520541663 517427916 /nfs/dbraw/zinc/42/79/16/517427916.db2.gz VFXFXPOLECHODK-MSOLQXFVSA-N 1 3 374.529 3.000 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CCOC1 ZINC000559891090 517473794 /nfs/dbraw/zinc/47/37/94/517473794.db2.gz NGPMXPSMJKKDTP-SESVDKBCSA-N 1 3 358.526 2.930 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000533458410 517475254 /nfs/dbraw/zinc/47/52/54/517475254.db2.gz BDQMHBUKZIAVPJ-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000533458410 517475260 /nfs/dbraw/zinc/47/52/60/517475260.db2.gz BDQMHBUKZIAVPJ-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC3CC(C)(C)[NH2+]C(C)(C)C3)c2cc1C ZINC000515874482 517501249 /nfs/dbraw/zinc/50/12/49/517501249.db2.gz MSNLSYBGFQEUOJ-KRWDZBQOSA-N 1 3 358.530 2.913 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C3CC(C)(C)NC(C)(C)C3)c2cc1C ZINC000515874482 517501260 /nfs/dbraw/zinc/50/12/60/517501260.db2.gz MSNLSYBGFQEUOJ-KRWDZBQOSA-N 1 3 358.530 2.913 20 0 FFADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(N2CCCC2)c1 ZINC000553075333 517511059 /nfs/dbraw/zinc/51/10/59/517511059.db2.gz HEQFXIVNJVWEQA-QGZVFWFLSA-N 1 3 370.541 2.680 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000562977569 517551298 /nfs/dbraw/zinc/55/12/98/517551298.db2.gz BMAHCTZVWGQBPA-COPCDDAFSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000562977569 517551311 /nfs/dbraw/zinc/55/13/11/517551311.db2.gz BMAHCTZVWGQBPA-COPCDDAFSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)NCCN(C)Cc2ccccc2)([NH+](C)C)C1 ZINC000516181310 517605687 /nfs/dbraw/zinc/60/56/87/517605687.db2.gz UOUKUDFVKCUSIA-NQIIRXRSSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000521109437 517617129 /nfs/dbraw/zinc/61/71/29/517617129.db2.gz SMVZTXIYBDDULQ-WIYYLYMNSA-N 1 3 357.542 2.882 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000521161965 517633405 /nfs/dbraw/zinc/63/34/05/517633405.db2.gz FBLAMESBOUIWMR-GBESFXJTSA-N 1 3 352.567 2.918 20 0 FFADHO CCOC1(C)CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000516313801 517657398 /nfs/dbraw/zinc/65/73/98/517657398.db2.gz WWBGXQLYGBFDGU-UHFFFAOYSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(F)cc1 ZINC000538586973 517680784 /nfs/dbraw/zinc/68/07/84/517680784.db2.gz ILDALRKCUIFBLQ-UZLBHIALSA-N 1 3 357.473 2.765 20 0 FFADHO CN1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000556868753 517719115 /nfs/dbraw/zinc/71/91/15/517719115.db2.gz BVZWDXYZONDASF-FKBYEOEOSA-N 1 3 369.553 2.930 20 0 FFADHO CN(CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542786258 517741459 /nfs/dbraw/zinc/74/14/59/517741459.db2.gz TXEVIWQDPNWOGZ-HXUWFJFHSA-N 1 3 352.482 2.641 20 0 FFADHO C[C@]1(NC(=O)NC2CC([NH+]3CCCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000563236105 517761001 /nfs/dbraw/zinc/76/10/01/517761001.db2.gz MLNLTZYCPRVGPK-AOMIVXANSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@@H]1CC[C@]2(CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)C1 ZINC000542851933 517781001 /nfs/dbraw/zinc/78/10/01/517781001.db2.gz MTJINPIYHCFOFT-UTKZUKDTSA-N 1 3 362.562 2.767 20 0 FFADHO CC(C)N1CC[C@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000534232326 517798197 /nfs/dbraw/zinc/79/81/97/517798197.db2.gz GLBDKUPQORJWED-FQEVSTJZSA-N 1 3 355.526 2.984 20 0 FFADHO CC(C)N1CC[C@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000534232326 517798203 /nfs/dbraw/zinc/79/82/03/517798203.db2.gz GLBDKUPQORJWED-FQEVSTJZSA-N 1 3 355.526 2.984 20 0 FFADHO COc1cc(C[NH2+]C2CCN(CCN(C)C)CC2)cc(C(F)(F)F)c1 ZINC000527636032 517812624 /nfs/dbraw/zinc/81/26/24/517812624.db2.gz JTZJMZQBEUJICB-UHFFFAOYSA-N 1 3 359.436 2.830 20 0 FFADHO COc1ccc(C[C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1OC ZINC000560527126 517873841 /nfs/dbraw/zinc/87/38/41/517873841.db2.gz AFTNVKYXLRZCQI-QFBILLFUSA-N 1 3 364.530 2.626 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000516857059 517875798 /nfs/dbraw/zinc/87/57/98/517875798.db2.gz MXWKYAQTBISCSD-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+](C)CC1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000546825709 517876910 /nfs/dbraw/zinc/87/69/10/517876910.db2.gz YZUJYNRERJWAKP-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C4CC4)[C@H]3C3CC3)CC2)CC1 ZINC000563410269 517886880 /nfs/dbraw/zinc/88/68/80/517886880.db2.gz WGPQCLLCRHUHLU-NHCUHLMSSA-N 1 3 359.558 2.830 20 0 FFADHO CSc1ccccc1C[C@H](C)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000560547384 517887223 /nfs/dbraw/zinc/88/72/23/517887223.db2.gz UOVOYKQZCSKHLP-KRWDZBQOSA-N 1 3 363.571 2.921 20 0 FFADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000560551815 517892413 /nfs/dbraw/zinc/89/24/13/517892413.db2.gz PCQGWHGKLRVTBQ-FUHWJXTLSA-N 1 3 365.468 2.602 20 0 FFADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000560551815 517892425 /nfs/dbraw/zinc/89/24/25/517892425.db2.gz PCQGWHGKLRVTBQ-FUHWJXTLSA-N 1 3 365.468 2.602 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc(N2CCCC2=O)c1 ZINC000539057729 517896673 /nfs/dbraw/zinc/89/66/73/517896673.db2.gz HHLXBPHJQPWGFV-ZLGUVYLKSA-N 1 3 371.525 2.842 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)C1 ZINC000553783520 517901950 /nfs/dbraw/zinc/90/19/50/517901950.db2.gz JIHFRZBQYJRJTK-UWRIJYQHSA-N 1 3 369.553 2.943 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)C1 ZINC000553783520 517901960 /nfs/dbraw/zinc/90/19/60/517901960.db2.gz JIHFRZBQYJRJTK-UWRIJYQHSA-N 1 3 369.553 2.943 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000557225892 517926477 /nfs/dbraw/zinc/92/64/77/517926477.db2.gz BAEBONOLXKLTSC-FPOVZHCZSA-N 1 3 352.482 2.577 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000557225892 517926486 /nfs/dbraw/zinc/92/64/86/517926486.db2.gz BAEBONOLXKLTSC-FPOVZHCZSA-N 1 3 352.482 2.577 20 0 FFADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000560679469 517967772 /nfs/dbraw/zinc/96/77/72/517967772.db2.gz FLBIVNOIQYTOHL-NRFANRHFSA-N 1 3 373.541 2.855 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553946664 517986413 /nfs/dbraw/zinc/98/64/13/517986413.db2.gz KXEKAXCEOHVGEM-DENIHFKCSA-N 1 3 368.525 2.531 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553946664 517986420 /nfs/dbraw/zinc/98/64/20/517986420.db2.gz KXEKAXCEOHVGEM-DENIHFKCSA-N 1 3 368.525 2.531 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC(F)(F)CC1)c1ccccc1 ZINC000553992173 518011559 /nfs/dbraw/zinc/01/15/59/518011559.db2.gz IIWLYQUMVYEHOW-KRWDZBQOSA-N 1 3 353.457 2.915 20 0 FFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC(F)(F)CC1)c1ccccc1 ZINC000553992173 518011566 /nfs/dbraw/zinc/01/15/66/518011566.db2.gz IIWLYQUMVYEHOW-KRWDZBQOSA-N 1 3 353.457 2.915 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000517122755 518032723 /nfs/dbraw/zinc/03/27/23/518032723.db2.gz DRMAOYDUBRYOCT-IHPCNDPISA-N 1 3 372.582 2.585 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000517122755 518032729 /nfs/dbraw/zinc/03/27/29/518032729.db2.gz DRMAOYDUBRYOCT-IHPCNDPISA-N 1 3 372.582 2.585 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000517225702 518075774 /nfs/dbraw/zinc/07/57/74/518075774.db2.gz CKUYGANQSBAISG-OALUTQOASA-N 1 3 373.545 2.847 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000572537950 518238478 /nfs/dbraw/zinc/23/84/78/518238478.db2.gz DKEFPERMMZDKNP-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000572537950 518238483 /nfs/dbraw/zinc/23/84/83/518238483.db2.gz DKEFPERMMZDKNP-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO C[NH+](C)Cc1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000572572751 518252581 /nfs/dbraw/zinc/25/25/81/518252581.db2.gz WRDWKZXSTUZAGF-UHFFFAOYSA-N 1 3 366.509 2.899 20 0 FFADHO C[C@H]1CCN[C@@H](C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000569727290 518260543 /nfs/dbraw/zinc/26/05/43/518260543.db2.gz PRWMKIFCBOZAFI-QFBILLFUSA-N 1 3 372.513 2.828 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566916065 518264813 /nfs/dbraw/zinc/26/48/13/518264813.db2.gz ZDFBCOPNJCTUBL-AOIWGVFYSA-N 1 3 368.525 2.537 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]C1 ZINC000572618591 518280614 /nfs/dbraw/zinc/28/06/14/518280614.db2.gz SLPCEWNYTNZHSW-QFBILLFUSA-N 1 3 364.559 2.649 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000564074189 518295160 /nfs/dbraw/zinc/29/51/60/518295160.db2.gz ANTIMRGVAJJZHH-UDTPNQRGSA-N 1 3 351.922 2.819 20 0 FFADHO CN(CCNC(=O)C1CC[NH+](CCOC2CCC2)CC1)Cc1ccccc1 ZINC000581506599 518319409 /nfs/dbraw/zinc/31/94/09/518319409.db2.gz RSJIAOMCNCLMAG-UHFFFAOYSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000581512093 518322628 /nfs/dbraw/zinc/32/26/28/518322628.db2.gz NWTMPLMGOJBJIE-AWEZNQCLSA-N 1 3 372.916 2.621 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000572749191 518344761 /nfs/dbraw/zinc/34/47/61/518344761.db2.gz DXHZJNPHZPSQAP-WMZOPIPTSA-N 1 3 370.497 2.663 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569920555 518356463 /nfs/dbraw/zinc/35/64/63/518356463.db2.gz HUWXROXCGVKUID-LSDHHAIUSA-N 1 3 360.420 2.767 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(OCCN(C)C)c1 ZINC000575970613 518366646 /nfs/dbraw/zinc/36/66/46/518366646.db2.gz FRTPYEIFBXLYJY-HXUWFJFHSA-N 1 3 360.502 2.543 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000575972355 518368318 /nfs/dbraw/zinc/36/83/18/518368318.db2.gz KRADKTSETVVXCH-IYWMVGAKSA-N 1 3 356.514 2.511 20 0 FFADHO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000572891399 518409395 /nfs/dbraw/zinc/40/93/95/518409395.db2.gz ANRBDIXIFREDQG-UIFIKXQLSA-N 1 3 357.542 2.858 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CNCc2ccccc21 ZINC000567266953 518439601 /nfs/dbraw/zinc/43/96/01/518439601.db2.gz OPHJGSBWQHCPBY-KRWDZBQOSA-N 1 3 371.447 2.996 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000567312362 518457699 /nfs/dbraw/zinc/45/76/99/518457699.db2.gz OWDNRYSKFXASDI-CVEARBPZSA-N 1 3 361.486 2.510 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000567312362 518457703 /nfs/dbraw/zinc/45/77/03/518457703.db2.gz OWDNRYSKFXASDI-CVEARBPZSA-N 1 3 361.486 2.510 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c1 ZINC000567312362 518457706 /nfs/dbraw/zinc/45/77/06/518457706.db2.gz OWDNRYSKFXASDI-CVEARBPZSA-N 1 3 361.486 2.510 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC3)cc1 ZINC000576219054 518487477 /nfs/dbraw/zinc/48/74/77/518487477.db2.gz XFVLOCADSQHVRN-AKHDSKFASA-N 1 3 369.488 2.909 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N2CCCC2)cc1 ZINC000584829235 518497383 /nfs/dbraw/zinc/49/73/83/518497383.db2.gz LVOXNDYYDBDBTA-FXAWDEMLSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cncc(Br)c1 ZINC000570226930 518504439 /nfs/dbraw/zinc/50/44/39/518504439.db2.gz YJVXTCZVVUFNFI-ZDUSSCGKSA-N 1 3 355.324 2.521 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000567436132 518520051 /nfs/dbraw/zinc/52/00/51/518520051.db2.gz MWJXZBZXVJZKNB-SFHVURJKSA-N 1 3 360.546 2.721 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000567436132 518520055 /nfs/dbraw/zinc/52/00/55/518520055.db2.gz MWJXZBZXVJZKNB-SFHVURJKSA-N 1 3 360.546 2.721 20 0 FFADHO CCOC[C@@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@@H](COCC)C3)c2)C1 ZINC000570277520 518529039 /nfs/dbraw/zinc/52/90/39/518529039.db2.gz DDZUYSMPYKRKFB-RTBURBONSA-N 1 3 361.530 2.798 20 0 FFADHO CCOC[C@@H]1CCN(Cc2cncc(C[N@H+]3CC[C@@H](COCC)C3)c2)C1 ZINC000570277520 518529044 /nfs/dbraw/zinc/52/90/44/518529044.db2.gz DDZUYSMPYKRKFB-RTBURBONSA-N 1 3 361.530 2.798 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@]1(C)CCCO1 ZINC000579133621 518537697 /nfs/dbraw/zinc/53/76/97/518537697.db2.gz XQSWLYWVEZEXAA-DYESRHJHSA-N 1 3 359.514 2.559 20 0 FFADHO C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000564640968 518539981 /nfs/dbraw/zinc/53/99/81/518539981.db2.gz LZZKFMXAEXPWFA-DLBZAZTESA-N 1 3 360.502 2.765 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000576344812 518547264 /nfs/dbraw/zinc/54/72/64/518547264.db2.gz IJLPQQWIVOHWJV-KDXIVRHGSA-N 1 3 369.553 2.915 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000576397058 518572486 /nfs/dbraw/zinc/57/24/86/518572486.db2.gz CCQFTEDFTSERIG-YLJYHZDGSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000576397058 518572493 /nfs/dbraw/zinc/57/24/93/518572493.db2.gz CCQFTEDFTSERIG-YLJYHZDGSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[NH2+]1 ZINC000579212025 518576312 /nfs/dbraw/zinc/57/63/12/518576312.db2.gz MHJWUXKXERFOJN-QAPCUYQASA-N 1 3 362.543 2.540 20 0 FFADHO CC(C)[NH+]1CCC(NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000570391179 518581745 /nfs/dbraw/zinc/58/17/45/518581745.db2.gz NDBGHEJOXVMTHR-UHFFFAOYSA-N 1 3 372.513 2.604 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000582116314 518596609 /nfs/dbraw/zinc/59/66/09/518596609.db2.gz USVVOOUFSUGFRK-CEXWTWQISA-N 1 3 364.603 2.937 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(N)C(F)(F)F)C1 ZINC000576462400 518604068 /nfs/dbraw/zinc/60/40/68/518604068.db2.gz AJHJDOAOTQDICP-DVOMOZLQSA-N 1 3 357.420 2.670 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(N)C(F)(F)F)C1 ZINC000576462400 518604075 /nfs/dbraw/zinc/60/40/75/518604075.db2.gz AJHJDOAOTQDICP-DVOMOZLQSA-N 1 3 357.420 2.670 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000564777288 518608622 /nfs/dbraw/zinc/60/86/22/518608622.db2.gz CJHBJNMCMUVOGV-FVTFTPSCSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000564777288 518608628 /nfs/dbraw/zinc/60/86/28/518608628.db2.gz CJHBJNMCMUVOGV-FVTFTPSCSA-N 1 3 357.542 2.740 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000582170804 518621897 /nfs/dbraw/zinc/62/18/97/518621897.db2.gz WHSIQJNYTRWQEV-CVEARBPZSA-N 1 3 350.532 2.572 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000573346601 518622218 /nfs/dbraw/zinc/62/22/18/518622218.db2.gz SBUZOSWYEDSMCV-BKVYNOPKSA-N 1 3 350.551 2.656 20 0 FFADHO OC[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000567642408 518629943 /nfs/dbraw/zinc/62/99/43/518629943.db2.gz XMPHSULBDWHNCR-UCNVEGJOSA-N 1 3 370.468 2.822 20 0 FFADHO C[NH+](C)CCOc1ccc(CNCc2ccc(C[S@](C)=O)cc2)cc1 ZINC000586784149 518641299 /nfs/dbraw/zinc/64/12/99/518641299.db2.gz VNOBCKJKKRJOKT-VWLOTQADSA-N 1 3 360.523 2.795 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000564848062 518649688 /nfs/dbraw/zinc/64/96/88/518649688.db2.gz CKBNMVWIRYYJSN-BZUAXINKSA-N 1 3 371.319 2.651 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])c2)CC1 ZINC000570543520 518659942 /nfs/dbraw/zinc/65/99/42/518659942.db2.gz PZCANHDMAPPODD-APWZRJJASA-N 1 3 359.518 2.562 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000579451553 518686230 /nfs/dbraw/zinc/68/62/30/518686230.db2.gz DHUXKJLLISBFBG-CVEARBPZSA-N 1 3 350.532 2.572 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000564933935 518703750 /nfs/dbraw/zinc/70/37/50/518703750.db2.gz KXMPHGLUHCEGRY-JENIJYKNSA-N 1 3 367.578 2.749 20 0 FFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccc(F)c(Cl)c1 ZINC000564989579 518731236 /nfs/dbraw/zinc/73/12/36/518731236.db2.gz RSYMUIDLKBJHMA-HBUWYVDXSA-N 1 3 365.880 2.906 20 0 FFADHO NC[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000579572699 518745707 /nfs/dbraw/zinc/74/57/07/518745707.db2.gz PVOUJINEXMNOHL-NMLBUPMWSA-N 1 3 352.482 2.608 20 0 FFADHO C[C@H](C[NH2+]CCCCN1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000582481869 518775127 /nfs/dbraw/zinc/77/51/27/518775127.db2.gz KGFXWYQCBBMRJQ-GOSISDBHSA-N 1 3 366.571 2.744 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000573724076 518804831 /nfs/dbraw/zinc/80/48/31/518804831.db2.gz OZMHVQBWQXIDLX-CJNGLKHVSA-N 1 3 366.303 2.615 20 0 FFADHO COc1ccc(OCC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000588711248 518812573 /nfs/dbraw/zinc/81/25/73/518812573.db2.gz NGRPTDGBLQNGOZ-QZTJIDSGSA-N 1 3 362.514 2.895 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(F)cc3F)CC2)CC1 ZINC000573739804 518814072 /nfs/dbraw/zinc/81/40/72/518814072.db2.gz UGIIQFVTBYDHRN-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000582614983 518839347 /nfs/dbraw/zinc/83/93/47/518839347.db2.gz SPDRBVCVBQXDED-FSSWDIPSSA-N 1 3 363.505 2.723 20 0 FFADHO CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000582614983 518839353 /nfs/dbraw/zinc/83/93/53/518839353.db2.gz SPDRBVCVBQXDED-FSSWDIPSSA-N 1 3 363.505 2.723 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3ccc(C)nc3)CC2)CC1 ZINC000565196196 518839636 /nfs/dbraw/zinc/83/96/36/518839636.db2.gz WCZDLZHGVJXCHD-UHFFFAOYSA-N 1 3 372.557 2.938 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)S[C@@H](C)C3)CC2)CC1 ZINC000582614196 518839860 /nfs/dbraw/zinc/83/98/60/518839860.db2.gz KSKMVZMBTRLCAK-HOTGVXAUSA-N 1 3 353.576 2.535 20 0 FFADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C(N)C(F)(F)F)cc1 ZINC000579832099 518876416 /nfs/dbraw/zinc/87/64/16/518876416.db2.gz HPMDRKTXLDHPBA-QGZVFWFLSA-N 1 3 365.399 2.921 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(F)(F)[C@@H](C)C3)CC2)CC1 ZINC000568107012 518877671 /nfs/dbraw/zinc/87/76/71/518877671.db2.gz ZQBAXFWBLCVLBC-HNNXBMFYSA-N 1 3 357.489 2.686 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000579838200 518880760 /nfs/dbraw/zinc/88/07/60/518880760.db2.gz MKDWFVPFKWHNIX-LLMJNHHCSA-N 1 3 355.526 2.793 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+]C[C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC000571039706 518897973 /nfs/dbraw/zinc/89/79/73/518897973.db2.gz GVODVJVBULHEIK-QGZVFWFLSA-N 1 3 360.420 2.810 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000568273154 518959596 /nfs/dbraw/zinc/95/95/96/518959596.db2.gz LISCRCCAEXKWHL-OAHLLOKOSA-N 1 3 369.351 2.912 20 0 FFADHO N[C@H](CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000565588257 519032545 /nfs/dbraw/zinc/03/25/45/519032545.db2.gz FMZAJIZHMAJGMG-DFQSSKMNSA-N 1 3 355.457 2.725 20 0 FFADHO Cc1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000583012418 519034500 /nfs/dbraw/zinc/03/45/00/519034500.db2.gz UYOQAJXJXUVBBA-SFHVURJKSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1ccc(CNCCC[N@H+]2CCCO[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000583012418 519034506 /nfs/dbraw/zinc/03/45/06/519034506.db2.gz UYOQAJXJXUVBBA-SFHVURJKSA-N 1 3 356.514 2.986 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000580244862 519078000 /nfs/dbraw/zinc/07/80/00/519078000.db2.gz BAWJPEVMFCVYMS-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO CNC(=O)[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Cc1ccc(F)cc1C ZINC000571404137 519080473 /nfs/dbraw/zinc/08/04/73/519080473.db2.gz ISJVMOSPCYDHLW-PBHICJAKSA-N 1 3 372.488 2.552 20 0 FFADHO C[NH+]1CCC(NCc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC000589843681 519092604 /nfs/dbraw/zinc/09/26/04/519092604.db2.gz XGKXMJJCQDIBAT-UHFFFAOYSA-N 1 3 372.538 2.831 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000565743373 519108992 /nfs/dbraw/zinc/10/89/92/519108992.db2.gz IOCKVLFJJHFYMK-RBUKOAKNSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000565743373 519108998 /nfs/dbraw/zinc/10/89/98/519108998.db2.gz IOCKVLFJJHFYMK-RBUKOAKNSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1C ZINC000565743373 519109004 /nfs/dbraw/zinc/10/90/04/519109004.db2.gz IOCKVLFJJHFYMK-RBUKOAKNSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1C ZINC000565743373 519109009 /nfs/dbraw/zinc/10/90/09/519109009.db2.gz IOCKVLFJJHFYMK-RBUKOAKNSA-N 1 3 360.498 2.771 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCc3c2cccc3Cl)(N2CCOCC2)CC1 ZINC000571531235 519143278 /nfs/dbraw/zinc/14/32/78/519143278.db2.gz FDTKUYQZUNKHGD-IBGZPJMESA-N 1 3 363.933 2.714 20 0 FFADHO CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000565822813 519150839 /nfs/dbraw/zinc/15/08/39/519150839.db2.gz YYYWSILDMZSVFE-BJLQDIEVSA-N 1 3 358.530 2.667 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000565855415 519164984 /nfs/dbraw/zinc/16/49/84/519164984.db2.gz JWIKESZAJGHKFM-NRDMVMEKSA-N 1 3 370.541 2.918 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000565855415 519164989 /nfs/dbraw/zinc/16/49/89/519164989.db2.gz JWIKESZAJGHKFM-NRDMVMEKSA-N 1 3 370.541 2.918 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)CC[C@@H]21 ZINC000571626420 519188842 /nfs/dbraw/zinc/18/88/42/519188842.db2.gz WHYNBIQQXFWFEF-HKBOAZHASA-N 1 3 366.509 2.965 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)CC[C@@H]21 ZINC000571626420 519188848 /nfs/dbraw/zinc/18/88/48/519188848.db2.gz WHYNBIQQXFWFEF-HKBOAZHASA-N 1 3 366.509 2.965 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000580471882 519193288 /nfs/dbraw/zinc/19/32/88/519193288.db2.gz KUPNBROHCFXCAK-UHFFFAOYSA-N 1 3 360.527 2.842 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN(Cc2ccccc2)C1 ZINC000571689833 519222366 /nfs/dbraw/zinc/22/23/66/519222366.db2.gz TYFYQFXVMXJOQB-DYXWJJEUSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN(Cc2ccccc2)C1 ZINC000571689833 519222374 /nfs/dbraw/zinc/22/23/74/519222374.db2.gz TYFYQFXVMXJOQB-DYXWJJEUSA-N 1 3 356.514 2.577 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCCC[C@@H]2C[NH3+])[C@H]1c1cccs1 ZINC000568856203 519250632 /nfs/dbraw/zinc/25/06/32/519250632.db2.gz VNGDPTHXWOKIEY-INMHGKMJSA-N 1 3 350.532 2.654 20 0 FFADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(OCCN(C)C)cc3)[C@@H]2C1 ZINC000577776446 519251652 /nfs/dbraw/zinc/25/16/52/519251652.db2.gz VOUPMLPQPVPKEX-SAIGTISXSA-N 1 3 373.541 2.925 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000574667541 519269828 /nfs/dbraw/zinc/26/98/28/519269828.db2.gz IBUHNLRIOBQUPJ-RTBURBONSA-N 1 3 358.530 2.668 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCN(C2CC2)C1 ZINC000580632784 519274441 /nfs/dbraw/zinc/27/44/41/519274441.db2.gz AQVMVBYXDZSPOA-KKSFZXQISA-N 1 3 366.509 2.965 20 0 FFADHO CN(C)Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000571789370 519276232 /nfs/dbraw/zinc/27/62/32/519276232.db2.gz RHDPXJZJXOSADX-IBGZPJMESA-N 1 3 352.482 2.994 20 0 FFADHO CN(C)Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000571789370 519276240 /nfs/dbraw/zinc/27/62/40/519276240.db2.gz RHDPXJZJXOSADX-IBGZPJMESA-N 1 3 352.482 2.994 20 0 FFADHO CN(C)Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000571789370 519276248 /nfs/dbraw/zinc/27/62/48/519276248.db2.gz RHDPXJZJXOSADX-IBGZPJMESA-N 1 3 352.482 2.994 20 0 FFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000580642414 519279860 /nfs/dbraw/zinc/27/98/60/519279860.db2.gz VYXNTCWLCMXDBR-TZIWHRDSSA-N 1 3 359.558 2.691 20 0 FFADHO Cc1ncc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)n1-c1ccccc1 ZINC000577838982 519280371 /nfs/dbraw/zinc/28/03/71/519280371.db2.gz GPRSZAZAJCYERY-GHTZIAJQSA-N 1 3 354.498 2.899 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000566101074 519300545 /nfs/dbraw/zinc/30/05/45/519300545.db2.gz LCAQREDBHMFNHJ-PWRODBHTSA-N 1 3 373.541 2.691 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107972 519304695 /nfs/dbraw/zinc/30/46/95/519304695.db2.gz SONPHDGMNNTGJO-IFMALSPDSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107972 519304702 /nfs/dbraw/zinc/30/47/02/519304702.db2.gz SONPHDGMNNTGJO-IFMALSPDSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107972 519304711 /nfs/dbraw/zinc/30/47/11/519304711.db2.gz SONPHDGMNNTGJO-IFMALSPDSA-N 1 3 356.485 2.883 20 0 FFADHO Brc1cccc(C2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000574757561 519315882 /nfs/dbraw/zinc/31/58/82/519315882.db2.gz QSOZEZUQYWJCTI-UHFFFAOYSA-N 1 3 352.320 2.534 20 0 FFADHO Cc1ccc(C)c(OC[C@H](O)CNCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000571910379 519341462 /nfs/dbraw/zinc/34/14/62/519341462.db2.gz UJNIBFDVWOTGRM-OAQYLSRUSA-N 1 3 356.510 2.937 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC(C)(C)C[NH+]3CCCC3)c2)CC1 ZINC000577980220 519354640 /nfs/dbraw/zinc/35/46/40/519354640.db2.gz RUOVQDPCYODHNE-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000578006079 519367373 /nfs/dbraw/zinc/36/73/73/519367373.db2.gz QPVHBMLRGWYNSY-XXBNENTESA-N 1 3 367.537 2.688 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000578016618 519373195 /nfs/dbraw/zinc/37/31/95/519373195.db2.gz FALOWRUSFOVCCL-SFTDATJTSA-N 1 3 364.493 2.673 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000578016618 519373201 /nfs/dbraw/zinc/37/32/01/519373201.db2.gz FALOWRUSFOVCCL-SFTDATJTSA-N 1 3 364.493 2.673 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000583688597 519382175 /nfs/dbraw/zinc/38/21/75/519382175.db2.gz QWULLRKTICGXAK-ZNMIVQPWSA-N 1 3 360.420 2.908 20 0 FFADHO CC(=O)c1cccc(OC[C@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590818867 519385699 /nfs/dbraw/zinc/38/56/99/519385699.db2.gz DOKBMCDFSXRQDV-HXUWFJFHSA-N 1 3 362.514 2.681 20 0 FFADHO CC(=O)c1cccc(OC[C@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590818867 519385711 /nfs/dbraw/zinc/38/57/11/519385711.db2.gz DOKBMCDFSXRQDV-HXUWFJFHSA-N 1 3 362.514 2.681 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000580848480 519391063 /nfs/dbraw/zinc/39/10/63/519391063.db2.gz ZXRIMGHDXRMMGI-HUUCEWRRSA-N 1 3 370.335 2.709 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000574975960 519432787 /nfs/dbraw/zinc/43/27/87/519432787.db2.gz SKNVPNHJGBOICT-IDCNUPLLSA-N 1 3 364.921 2.630 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN(C2CCC2)C1 ZINC000572133612 519462127 /nfs/dbraw/zinc/46/21/27/519462127.db2.gz HHHVSBPZBPWDMC-QFBILLFUSA-N 1 3 365.587 2.537 20 0 FFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000566507873 519526308 /nfs/dbraw/zinc/52/63/08/519526308.db2.gz CJOQLFCDOCJMNG-IPMKNSEASA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000578425088 519585457 /nfs/dbraw/zinc/58/54/57/519585457.db2.gz GUVNEEIJKNHVCT-YESZJQIVSA-N 1 3 364.559 2.900 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn(CCN(C)C)n3)cc2)C1 ZINC000575326950 519590418 /nfs/dbraw/zinc/59/04/18/519590418.db2.gz KWXFMUXOVGGSRO-KRWDZBQOSA-N 1 3 369.513 2.929 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccn(CCN(C)C)n3)cc2)C1 ZINC000575326950 519590424 /nfs/dbraw/zinc/59/04/24/519590424.db2.gz KWXFMUXOVGGSRO-KRWDZBQOSA-N 1 3 369.513 2.929 20 0 FFADHO CN(C)[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000591540245 519942094 /nfs/dbraw/zinc/94/20/94/519942094.db2.gz MRGYLJDEFFMRIM-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000591579525 519958387 /nfs/dbraw/zinc/95/83/87/519958387.db2.gz VEXBSVZRHLXELW-RTWAWAEBSA-N 1 3 372.557 2.930 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000591579525 519958395 /nfs/dbraw/zinc/95/83/95/519958395.db2.gz VEXBSVZRHLXELW-RTWAWAEBSA-N 1 3 372.557 2.930 20 0 FFADHO CN1CCC[N@H+](CCCNCc2ccccc2OCc2ccncc2)CC1 ZINC000591717191 520009976 /nfs/dbraw/zinc/00/99/76/520009976.db2.gz QHBNLVRIWZMYEY-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2ccccc2OCc2ccncc2)CC1 ZINC000591717191 520009983 /nfs/dbraw/zinc/00/99/83/520009983.db2.gz QHBNLVRIWZMYEY-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000608685096 520081278 /nfs/dbraw/zinc/08/12/78/520081278.db2.gz HIZQYXQNQMPHLU-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000608685096 520081279 /nfs/dbraw/zinc/08/12/79/520081279.db2.gz HIZQYXQNQMPHLU-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594736105 520123839 /nfs/dbraw/zinc/12/38/39/520123839.db2.gz PRAIUTDAXTXRKO-QFBILLFUSA-N 1 3 360.498 2.839 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000594963543 520232836 /nfs/dbraw/zinc/23/28/36/520232836.db2.gz JYGSUVVGLJRDSH-RBUKOAKNSA-N 1 3 350.551 2.526 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000612963027 520242001 /nfs/dbraw/zinc/24/20/01/520242001.db2.gz LJZPNHLBWZQOMT-JKSUJKDBSA-N 1 3 350.532 2.572 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000592494873 520418180 /nfs/dbraw/zinc/41/81/80/520418180.db2.gz HDYVKOLEPAMLBJ-WOJBJXKFSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000592494873 520418189 /nfs/dbraw/zinc/41/81/89/520418189.db2.gz HDYVKOLEPAMLBJ-WOJBJXKFSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000604083889 520444908 /nfs/dbraw/zinc/44/49/08/520444908.db2.gz WXCAPDJLPXVUHI-ZCNNSNEGSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000604083889 520444914 /nfs/dbraw/zinc/44/49/14/520444914.db2.gz WXCAPDJLPXVUHI-ZCNNSNEGSA-N 1 3 356.514 2.577 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000600843885 520497473 /nfs/dbraw/zinc/49/74/73/520497473.db2.gz XICZPKYIPFPNBI-FQEVSTJZSA-N 1 3 358.530 2.608 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000600843885 520497480 /nfs/dbraw/zinc/49/74/80/520497480.db2.gz XICZPKYIPFPNBI-FQEVSTJZSA-N 1 3 358.530 2.608 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c2cccnc12 ZINC000617503951 520539061 /nfs/dbraw/zinc/53/90/61/520539061.db2.gz BSBUGKFYSSYVBF-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c2cccnc12 ZINC000617503951 520539065 /nfs/dbraw/zinc/53/90/65/520539065.db2.gz BSBUGKFYSSYVBF-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO Cc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Br ZINC000617506699 520540724 /nfs/dbraw/zinc/54/07/24/520540724.db2.gz WMSDEGNEUUZYOX-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Br ZINC000617506699 520540729 /nfs/dbraw/zinc/54/07/29/520540729.db2.gz WMSDEGNEUUZYOX-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000617506444 520541321 /nfs/dbraw/zinc/54/13/21/520541321.db2.gz NRCRUSYMRXUZHL-QFBILLFUSA-N 1 3 351.510 2.954 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000617506444 520541328 /nfs/dbraw/zinc/54/13/28/520541328.db2.gz NRCRUSYMRXUZHL-QFBILLFUSA-N 1 3 351.510 2.954 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c(Br)c1 ZINC000617505484 520543776 /nfs/dbraw/zinc/54/37/76/520543776.db2.gz FAWDNYLQIDIECP-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c(Br)c1 ZINC000617505484 520543781 /nfs/dbraw/zinc/54/37/81/520543781.db2.gz FAWDNYLQIDIECP-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592959269 520660924 /nfs/dbraw/zinc/66/09/24/520660924.db2.gz RAVZNXPBICJPBQ-RDJZCZTQSA-N 1 3 369.513 2.578 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000613798482 520681438 /nfs/dbraw/zinc/68/14/38/520681438.db2.gz KJXUXSORTXPEGY-GJZGRUSLSA-N 1 3 374.403 2.713 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000605373681 520849392 /nfs/dbraw/zinc/84/93/92/520849392.db2.gz ZIMMPZDVPMWPBL-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614343701 520918124 /nfs/dbraw/zinc/91/81/24/520918124.db2.gz YDTUYYDBPPUYLR-RTWAWAEBSA-N 1 3 357.542 2.884 20 0 FFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614343701 520918133 /nfs/dbraw/zinc/91/81/33/520918133.db2.gz YDTUYYDBPPUYLR-RTWAWAEBSA-N 1 3 357.542 2.884 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000606618343 521107526 /nfs/dbraw/zinc/10/75/26/521107526.db2.gz UKUVTEINTBTHGY-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000618561431 521123959 /nfs/dbraw/zinc/12/39/59/521123959.db2.gz ZUZWBHGSPZVWGT-MRXNPFEDSA-N 1 3 352.548 2.696 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000607167152 521284938 /nfs/dbraw/zinc/28/49/38/521284938.db2.gz RVKKUJAVNQIFGI-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000607245497 521305034 /nfs/dbraw/zinc/30/50/34/521305034.db2.gz LBXOYWHYSAQTQG-CYBMUJFWSA-N 1 3 360.955 2.987 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCN(C2CC2)C1 ZINC000615447431 521407290 /nfs/dbraw/zinc/40/72/90/521407290.db2.gz JHDKTFDEZMWTIH-CTNGQTDRSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN(C2CC2)C1 ZINC000615447431 521407296 /nfs/dbraw/zinc/40/72/96/521407296.db2.gz JHDKTFDEZMWTIH-CTNGQTDRSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000612104338 521483053 /nfs/dbraw/zinc/48/30/53/521483053.db2.gz HUTHASRSPUXEFU-MISYRCLQSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000612104338 521483062 /nfs/dbraw/zinc/48/30/62/521483062.db2.gz HUTHASRSPUXEFU-MISYRCLQSA-N 1 3 355.526 2.683 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000615853125 521558849 /nfs/dbraw/zinc/55/88/49/521558849.db2.gz GWGVCVWROLSEPU-LEWJYISDSA-N 1 3 374.573 2.969 20 0 FFADHO OCCNC1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000631864399 521766152 /nfs/dbraw/zinc/76/61/52/521766152.db2.gz NIIFSQXHXYPFDB-UHFFFAOYSA-N 1 3 360.420 2.911 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000634960399 521836949 /nfs/dbraw/zinc/83/69/49/521836949.db2.gz QPZKHDKLOCTBDT-UHFFFAOYSA-N 1 3 350.466 2.903 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CN1C1CC1 ZINC000626042326 521874918 /nfs/dbraw/zinc/87/49/18/521874918.db2.gz ZLHIZBVDZBBKCN-UHVFKWDWSA-N 1 3 367.537 2.886 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CN1C1CC1 ZINC000626042326 521874921 /nfs/dbraw/zinc/87/49/21/521874921.db2.gz ZLHIZBVDZBBKCN-UHVFKWDWSA-N 1 3 367.537 2.886 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623355307 521961541 /nfs/dbraw/zinc/96/15/41/521961541.db2.gz IZUPMDRPSILBJY-RTWAWAEBSA-N 1 3 358.574 2.828 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623542780 522106166 /nfs/dbraw/zinc/10/61/66/522106166.db2.gz PKWHNXXFCGVVEL-QHAWAJNXSA-N 1 3 355.526 2.745 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623542780 522106169 /nfs/dbraw/zinc/10/61/69/522106169.db2.gz PKWHNXXFCGVVEL-QHAWAJNXSA-N 1 3 355.526 2.745 20 0 FFADHO CN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000620191574 522110047 /nfs/dbraw/zinc/11/00/47/522110047.db2.gz CZKRELACJMYWSP-HXUWFJFHSA-N 1 3 355.526 2.747 20 0 FFADHO CN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000620191574 522110052 /nfs/dbraw/zinc/11/00/52/522110052.db2.gz CZKRELACJMYWSP-HXUWFJFHSA-N 1 3 355.526 2.747 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635443888 522268092 /nfs/dbraw/zinc/26/80/92/522268092.db2.gz LQZKDNKYJKWBIO-INIZCTEOSA-N 1 3 371.447 2.937 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635443888 522268094 /nfs/dbraw/zinc/26/80/94/522268094.db2.gz LQZKDNKYJKWBIO-INIZCTEOSA-N 1 3 371.447 2.937 20 0 FFADHO COC[C@H](CCC[NH3+])NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629520417 522297083 /nfs/dbraw/zinc/29/70/83/522297083.db2.gz VVKJFWPKCACQNY-GHTZIAJQSA-N 1 3 367.493 2.727 20 0 FFADHO Cc1ccc(NC(=O)C2(CNC[C@H](O)C[NH+]3CCCC3)CCCC2)cc1C ZINC000629564990 522318851 /nfs/dbraw/zinc/31/88/51/522318851.db2.gz NOBDDWOKTVPVIS-FQEVSTJZSA-N 1 3 373.541 2.849 20 0 FFADHO CCCN(C)[C@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000629580773 522329518 /nfs/dbraw/zinc/32/95/18/522329518.db2.gz HBTCJSAHHJCMGF-RBUKOAKNSA-N 1 3 353.938 2.769 20 0 FFADHO COc1cccc(SCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000629591403 522339404 /nfs/dbraw/zinc/33/94/04/522339404.db2.gz HUMQUONEBQZQNE-SFHVURJKSA-N 1 3 350.528 2.878 20 0 FFADHO CN1CCN(Cc2ccccc2-c2ccc([C@H]3COCCN3)cc2)CC1 ZINC000629735130 522425508 /nfs/dbraw/zinc/42/55/08/522425508.db2.gz JKSNEUBHOMMRKS-JOCHJYFZSA-N 1 3 351.494 2.762 20 0 FFADHO CN1CC[NH+](Cc2ccccc2-c2ccc([C@H]3COCCN3)cc2)CC1 ZINC000629735130 522425520 /nfs/dbraw/zinc/42/55/20/522425520.db2.gz JKSNEUBHOMMRKS-JOCHJYFZSA-N 1 3 351.494 2.762 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626930707 522536808 /nfs/dbraw/zinc/53/68/08/522536808.db2.gz HNKVEKSDFVUHQR-SZPZYZBQSA-N 1 3 370.541 2.600 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626993749 522576851 /nfs/dbraw/zinc/57/68/51/522576851.db2.gz MCRXEKYDFQWVIK-IYERYRBDSA-N 1 3 370.541 2.538 20 0 FFADHO C[C@](O)(C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)C1CC1 ZINC000630041523 522602074 /nfs/dbraw/zinc/60/20/74/522602074.db2.gz NGEVKUAXXISGGT-UDIDDNNKSA-N 1 3 372.553 2.885 20 0 FFADHO C[C@](O)(C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)C1CC1 ZINC000630041523 522602080 /nfs/dbraw/zinc/60/20/80/522602080.db2.gz NGEVKUAXXISGGT-UDIDDNNKSA-N 1 3 372.553 2.885 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000621104453 522624771 /nfs/dbraw/zinc/62/47/71/522624771.db2.gz YNMQPRUPTGCTQP-LEWJYISDSA-N 1 3 370.541 2.532 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000621104453 522624782 /nfs/dbraw/zinc/62/47/82/522624782.db2.gz YNMQPRUPTGCTQP-LEWJYISDSA-N 1 3 370.541 2.532 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000636095339 522731520 /nfs/dbraw/zinc/73/15/20/522731520.db2.gz HJSQSNYHUUZLHE-TYKWCNGQSA-N 1 3 370.541 2.574 20 0 FFADHO CN1CCC(n2cc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cn2)CC1 ZINC000636448389 522989006 /nfs/dbraw/zinc/98/90/06/522989006.db2.gz FYEOUXFEICWZBJ-UHFFFAOYSA-N 1 3 362.522 2.581 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(c4ccccc4)C3)CC2)CC1 ZINC000633809657 523007701 /nfs/dbraw/zinc/00/77/01/523007701.db2.gz AJPNZWPKXAMTEO-UHFFFAOYSA-N 1 3 355.526 2.809 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000624945688 523048156 /nfs/dbraw/zinc/04/81/56/523048156.db2.gz LGXJCYNMKJCZDY-PCCBWWKXSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000624945688 523048166 /nfs/dbraw/zinc/04/81/66/523048166.db2.gz LGXJCYNMKJCZDY-PCCBWWKXSA-N 1 3 370.541 2.777 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000621755050 523059377 /nfs/dbraw/zinc/05/93/77/523059377.db2.gz RPSDYAZFGADIQZ-HLIPFELVSA-N 1 3 359.514 2.963 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633942983 523082392 /nfs/dbraw/zinc/08/23/92/523082392.db2.gz WZNDDVHWZFNZRS-UHFFFAOYSA-N 1 3 359.514 2.718 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627796261 523108056 /nfs/dbraw/zinc/10/80/56/523108056.db2.gz LEYPQENBTSZWFC-PCCBWWKXSA-N 1 3 355.526 2.697 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627796261 523108062 /nfs/dbraw/zinc/10/80/62/523108062.db2.gz LEYPQENBTSZWFC-PCCBWWKXSA-N 1 3 355.526 2.697 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC(CC)([NH+](C)C)CC3)cc2)CC1 ZINC000634121672 523197028 /nfs/dbraw/zinc/19/70/28/523197028.db2.gz BKYFVZDLAPAJSU-UHFFFAOYSA-N 1 3 372.557 2.775 20 0 FFADHO CN1CCC(n2cc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cn2)CC1 ZINC000636800087 523218407 /nfs/dbraw/zinc/21/84/07/523218407.db2.gz MLQAALWOMPVONO-QGZVFWFLSA-N 1 3 364.538 2.638 20 0 FFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccccc2CC(F)(F)F)CC1 ZINC000631069247 523351145 /nfs/dbraw/zinc/35/11/45/523351145.db2.gz QTYZTNPMEMDDQN-UHFFFAOYSA-N 1 3 371.447 2.824 20 0 FFADHO O=C(NC[C@H]1CCCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000637015462 523367081 /nfs/dbraw/zinc/36/70/81/523367081.db2.gz QXGIGGMIKRPMAN-IRLDBZIGSA-N 1 3 370.541 2.826 20 0 FFADHO CCC[C@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)OCC ZINC000628342492 523496131 /nfs/dbraw/zinc/49/61/31/523496131.db2.gz JKWBSHVSXODWMP-LJQANCHMSA-N 1 3 353.551 2.504 20 0 FFADHO CN(C)[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000634637353 523539696 /nfs/dbraw/zinc/53/96/96/523539696.db2.gz TUFBMFYLXVAYPX-QUCCMNQESA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000634637353 523539709 /nfs/dbraw/zinc/53/97/09/523539709.db2.gz TUFBMFYLXVAYPX-QUCCMNQESA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@H](C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccs1 ZINC000634637353 523539717 /nfs/dbraw/zinc/53/97/17/523539717.db2.gz TUFBMFYLXVAYPX-QUCCMNQESA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000623072450 523656547 /nfs/dbraw/zinc/65/65/47/523656547.db2.gz AKQYXNRQWFJKJF-PKOBYXMFSA-N 1 3 356.445 2.846 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@H]1CCCN(C)C1 ZINC000625801159 523697116 /nfs/dbraw/zinc/69/71/16/523697116.db2.gz AOWJSORTOZVCFW-PCCBWWKXSA-N 1 3 355.526 2.697 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@H]1CCCN(C)C1 ZINC000625801159 523697119 /nfs/dbraw/zinc/69/71/19/523697119.db2.gz AOWJSORTOZVCFW-PCCBWWKXSA-N 1 3 355.526 2.697 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000625854771 523721280 /nfs/dbraw/zinc/72/12/80/523721280.db2.gz HAGOALQPRDBKIT-ZWKOTPCHSA-N 1 3 362.543 2.540 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000669128393 568096456 /nfs/dbraw/zinc/09/64/56/568096456.db2.gz ICHZQHABXAIVRG-GIVPXCGWSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000669128393 568096457 /nfs/dbraw/zinc/09/64/57/568096457.db2.gz ICHZQHABXAIVRG-GIVPXCGWSA-N 1 3 357.542 2.882 20 0 FFADHO Nc1cc[nH+]c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164903839 721583482 /nfs/dbraw/zinc/58/34/82/721583482.db2.gz OEYGTIHLFSATMZ-SFHVURJKSA-N 1 3 359.424 2.797 20 0 FFADHO O=C(NCCN1CCCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062466008 728132141 /nfs/dbraw/zinc/13/21/41/728132141.db2.gz HICHMLYEUIIHCT-UHFFFAOYSA-N 1 3 350.551 2.816 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000122143354 728644427 /nfs/dbraw/zinc/64/44/27/728644427.db2.gz XPOJPLPEVKNWOY-FQEVSTJZSA-N 1 3 352.494 2.930 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000122143354 728644428 /nfs/dbraw/zinc/64/44/28/728644428.db2.gz XPOJPLPEVKNWOY-FQEVSTJZSA-N 1 3 352.494 2.930 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646253970 730646181 /nfs/dbraw/zinc/64/61/81/730646181.db2.gz DYRRMKXBFQJDCP-RBUKOAKNSA-N 1 3 363.933 2.866 20 0 FFADHO Brc1cc2c(cc1CN1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCO2 ZINC000647546175 730749496 /nfs/dbraw/zinc/74/94/96/730749496.db2.gz COBUVHXRMAHHCJ-QWHCGFSZSA-N 1 3 367.287 2.999 20 0 FFADHO CN(C)[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000649346525 730878074 /nfs/dbraw/zinc/87/80/74/730878074.db2.gz NHOBMQTVLRAIDS-SFHVURJKSA-N 1 3 357.885 2.555 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865448116 730956322 /nfs/dbraw/zinc/95/63/22/730956322.db2.gz BEOLGTCYURLLGK-AWEZNQCLSA-N 1 3 359.436 2.790 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000652320644 731183218 /nfs/dbraw/zinc/18/32/18/731183218.db2.gz HNHOQVDXYSJWSP-KRWDZBQOSA-N 1 3 352.910 2.632 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cc2C1 ZINC000653128159 731241542 /nfs/dbraw/zinc/24/15/42/731241542.db2.gz SCZQNMMCMZMMIE-KWCYVHTRSA-N 1 3 357.376 2.584 20 0 FFADHO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925832536 738534133 /nfs/dbraw/zinc/53/41/33/738534133.db2.gz GGASLXAYDXWVPW-MOPGFXCFSA-N 1 3 364.555 2.781 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925832536 738534137 /nfs/dbraw/zinc/53/41/37/738534137.db2.gz GGASLXAYDXWVPW-MOPGFXCFSA-N 1 3 364.555 2.781 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925834287 738534508 /nfs/dbraw/zinc/53/45/08/738534508.db2.gz MHUOCKBVIZMYEN-IPMKNSEASA-N 1 3 364.555 2.923 20 0 FFADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)cs1 ZINC000925849623 738536464 /nfs/dbraw/zinc/53/64/64/738536464.db2.gz JMWIQVBOKCQSAX-JQWIXIFHSA-N 1 3 373.316 2.847 20 0 FFADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OC(F)F ZINC000925853413 738537437 /nfs/dbraw/zinc/53/74/37/738537437.db2.gz ISJPPPZKVAGAFI-STQMWFEESA-N 1 3 354.397 2.624 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000875004113 732119307 /nfs/dbraw/zinc/11/93/07/732119307.db2.gz JCDPBPURMRBGHE-IXDOHACOSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000875004113 732119308 /nfs/dbraw/zinc/11/93/08/732119308.db2.gz JCDPBPURMRBGHE-IXDOHACOSA-N 1 3 362.543 2.621 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662666793 732344952 /nfs/dbraw/zinc/34/49/52/732344952.db2.gz VSXWHHSOQIFZJI-IUODEOHRSA-N 1 3 361.433 2.543 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C(C)(C)N)no2)[C@@H]1c1cccs1 ZINC000662746774 732351686 /nfs/dbraw/zinc/35/16/86/732351686.db2.gz WYRKYJCZINYQRD-MLGOLLRUSA-N 1 3 362.499 2.743 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)c2cc(C(C)(C)N)no2)[C@@H]1c1cccs1 ZINC000662746774 732351688 /nfs/dbraw/zinc/35/16/88/732351688.db2.gz WYRKYJCZINYQRD-MLGOLLRUSA-N 1 3 362.499 2.743 20 0 FFADHO COCCN(Cc1cnc2ccc(Cl)cn12)CC1CC[NH+](C)CC1 ZINC000877665347 732408563 /nfs/dbraw/zinc/40/85/63/732408563.db2.gz RVHYWTNYFBRYQC-UHFFFAOYSA-N 1 3 350.894 2.778 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000663809120 732496912 /nfs/dbraw/zinc/49/69/12/732496912.db2.gz JRZGQVZDMZPROM-CVEARBPZSA-N 1 3 352.498 2.500 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000663809120 732496918 /nfs/dbraw/zinc/49/69/18/732496918.db2.gz JRZGQVZDMZPROM-CVEARBPZSA-N 1 3 352.498 2.500 20 0 FFADHO Cc1cc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1F ZINC000664355960 732572900 /nfs/dbraw/zinc/57/29/00/732572900.db2.gz XULQTNBMYDRQRH-JKSUJKDBSA-N 1 3 352.498 2.766 20 0 FFADHO Cc1cc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1F ZINC000664355960 732572904 /nfs/dbraw/zinc/57/29/04/732572904.db2.gz XULQTNBMYDRQRH-JKSUJKDBSA-N 1 3 352.498 2.766 20 0 FFADHO CC(C)CCN1CCC([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)CC1 ZINC000926570932 738631849 /nfs/dbraw/zinc/63/18/49/738631849.db2.gz SUIIXOXQNYGTQZ-SFHVURJKSA-N 1 3 354.535 2.502 20 0 FFADHO C[NH+]1CCC2(CCN(CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000879249658 732672507 /nfs/dbraw/zinc/67/25/07/732672507.db2.gz XWVFFRXBWBNBNK-HNNXBMFYSA-N 1 3 361.452 2.595 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)s1 ZINC000665636526 732734374 /nfs/dbraw/zinc/73/43/74/732734374.db2.gz BELPXPUQGINCPT-ZDUSSCGKSA-N 1 3 360.955 2.815 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)s1 ZINC000665636526 732734377 /nfs/dbraw/zinc/73/43/77/732734377.db2.gz BELPXPUQGINCPT-ZDUSSCGKSA-N 1 3 360.955 2.815 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000665760586 732752447 /nfs/dbraw/zinc/75/24/47/732752447.db2.gz KWTKAMXREZSKQE-RRFJBIMHSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000665760586 732752449 /nfs/dbraw/zinc/75/24/49/732752449.db2.gz KWTKAMXREZSKQE-RRFJBIMHSA-N 1 3 366.472 2.631 20 0 FFADHO CC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000666641520 732877149 /nfs/dbraw/zinc/87/71/49/732877149.db2.gz NWOXIQKDCJNSML-ZDUSSCGKSA-N 1 3 368.909 2.936 20 0 FFADHO CC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000666641520 732877156 /nfs/dbraw/zinc/87/71/56/732877156.db2.gz NWOXIQKDCJNSML-ZDUSSCGKSA-N 1 3 368.909 2.936 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](c1cccs1)N1CCCC1 ZINC000884347714 733514840 /nfs/dbraw/zinc/51/48/40/733514840.db2.gz CCGFUMJOCGXHHT-JKSUJKDBSA-N 1 3 366.600 2.833 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H](c1cccs1)N1CCCC1 ZINC000884347714 733514843 /nfs/dbraw/zinc/51/48/43/733514843.db2.gz CCGFUMJOCGXHHT-JKSUJKDBSA-N 1 3 366.600 2.833 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000675178266 733761519 /nfs/dbraw/zinc/76/15/19/733761519.db2.gz RGZAKQQATTWZQN-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000891348569 734417358 /nfs/dbraw/zinc/41/73/58/734417358.db2.gz PXYJRJYBBULCAC-BZZMCLGOSA-N 1 3 364.559 2.961 20 0 FFADHO Cc1cc(NC(=O)CNCC2CC[NH+](C)CC2)ccc1Br ZINC000894989189 734948958 /nfs/dbraw/zinc/94/89/58/734948958.db2.gz WFPOLIYMSNSBCN-UHFFFAOYSA-N 1 3 354.292 2.627 20 0 FFADHO CC(C)(O)CN1CCC([NH2+][C@@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000897330208 735220599 /nfs/dbraw/zinc/22/05/99/735220599.db2.gz LTPBOULXJJCCJK-INIZCTEOSA-N 1 3 360.420 2.564 20 0 FFADHO O=S(=O)(CCN1C[C@@H]2CCCC[C@@H]2C1)CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000750061983 735768443 /nfs/dbraw/zinc/76/84/43/735768443.db2.gz LPPADXKCXBDAFY-FGYAAKKASA-N 1 3 368.587 2.645 20 0 FFADHO O=S(=O)(CCN1C[C@@H]2CCCC[C@@H]2C1)CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000750061983 735768448 /nfs/dbraw/zinc/76/84/48/735768448.db2.gz LPPADXKCXBDAFY-FGYAAKKASA-N 1 3 368.587 2.645 20 0 FFADHO c1csc(CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]2CCCO2)c1 ZINC000903717990 736159430 /nfs/dbraw/zinc/15/94/30/736159430.db2.gz GXMYIOOXMJZWLL-DLBZAZTESA-N 1 3 350.528 2.888 20 0 FFADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903922550 736188747 /nfs/dbraw/zinc/18/87/47/736188747.db2.gz ZGZOUSPBISBAMI-SKDZVZGDSA-N 1 3 363.893 2.722 20 0 FFADHO COc1c(Br)cccc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904392932 736248264 /nfs/dbraw/zinc/24/82/64/736248264.db2.gz DQRYRHPNMCRMFS-CQSZACIVSA-N 1 3 369.303 2.788 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)ccc3OC)C2)[C@H]1C(C)C ZINC000922395700 738138101 /nfs/dbraw/zinc/13/81/01/738138101.db2.gz YQJHUKPKWBXWQM-LFGUQSLTSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(F)ccc3OC)C2)[C@H]1C(C)C ZINC000922395700 738138102 /nfs/dbraw/zinc/13/81/02/738138102.db2.gz YQJHUKPKWBXWQM-LFGUQSLTSA-N 1 3 350.478 2.794 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)ccc1OC ZINC000788626479 739265137 /nfs/dbraw/zinc/26/51/37/739265137.db2.gz SQEVIGYEGMELGU-YRNRMSPPSA-N 1 3 350.503 2.728 20 0 FFADHO C[NH+](C)CCCOC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000791779456 739601800 /nfs/dbraw/zinc/60/18/00/739601800.db2.gz OBVRQCJXQCIILS-LBPRGKRZSA-N 1 3 359.253 2.841 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000796988716 740202759 /nfs/dbraw/zinc/20/27/59/740202759.db2.gz GTPOWMKMMFJUJF-LTIDMASMSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@@H](O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000796988716 740202764 /nfs/dbraw/zinc/20/27/64/740202764.db2.gz GTPOWMKMMFJUJF-LTIDMASMSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@@H](O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000796988716 740202766 /nfs/dbraw/zinc/20/27/66/740202766.db2.gz GTPOWMKMMFJUJF-LTIDMASMSA-N 1 3 353.304 2.945 20 0 FFADHO CCN(Cc1cncs1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000957716114 740553978 /nfs/dbraw/zinc/55/39/78/740553978.db2.gz USYQJJGSUWGKMZ-CRAIPNDOSA-N 1 3 364.559 2.544 20 0 FFADHO CCN(Cc1cncs1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000957716114 740553980 /nfs/dbraw/zinc/55/39/80/740553980.db2.gz USYQJJGSUWGKMZ-CRAIPNDOSA-N 1 3 364.559 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3csc(C)n3)CC2)CC[N@@H+]1C ZINC000997794157 742025572 /nfs/dbraw/zinc/02/55/72/742025572.db2.gz WVXYLPYFYKZMOI-ZWKOTPCHSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3csc(C)n3)CC2)CC[N@H+]1C ZINC000997794157 742025577 /nfs/dbraw/zinc/02/55/77/742025577.db2.gz WVXYLPYFYKZMOI-ZWKOTPCHSA-N 1 3 364.559 2.510 20 0 FFADHO CON(C)C(=O)CC[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000819033958 742327607 /nfs/dbraw/zinc/32/76/07/742327607.db2.gz UZBIWHATVSCXGG-UHFFFAOYSA-N 1 3 353.894 2.552 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000819174703 742348289 /nfs/dbraw/zinc/34/82/89/742348289.db2.gz QUIGNXVPBLSJEA-IPMKNSEASA-N 1 3 370.896 2.870 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)c2ccc(Br)cc2)CCCO1 ZINC000819265222 742364491 /nfs/dbraw/zinc/36/44/91/742364491.db2.gz MZRHMPCUPNJXSC-WMLDXEAASA-N 1 3 371.319 2.573 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)c2ccc(Br)cc2)CCCO1 ZINC000819265222 742364497 /nfs/dbraw/zinc/36/44/97/742364497.db2.gz MZRHMPCUPNJXSC-WMLDXEAASA-N 1 3 371.319 2.573 20 0 FFADHO Cc1nc(C)c(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001034213846 742912233 /nfs/dbraw/zinc/91/22/33/742912233.db2.gz CIODAUIQPUMUJQ-HYVNUMGLSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nc(C)c(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001034213846 742912236 /nfs/dbraw/zinc/91/22/36/742912236.db2.gz CIODAUIQPUMUJQ-HYVNUMGLSA-N 1 3 364.559 2.571 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(CCC(F)(F)F)C3)CC[N@@H+]1C ZINC001040211072 742999275 /nfs/dbraw/zinc/99/92/75/742999275.db2.gz TVHIJLUDBIAKKA-BFYDXBDKSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCCN(CCC(F)(F)F)C3)CC[N@H+]1C ZINC001040211072 742999279 /nfs/dbraw/zinc/99/92/79/742999279.db2.gz TVHIJLUDBIAKKA-BFYDXBDKSA-N 1 3 361.452 2.594 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000827414739 743571403 /nfs/dbraw/zinc/57/14/03/743571403.db2.gz GPCGGWBVDWYNHG-JKSUJKDBSA-N 1 3 350.894 2.520 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc(Cl)n1 ZINC000831230111 745502836 /nfs/dbraw/zinc/50/28/36/745502836.db2.gz DORBFWHUDXTABK-GDBMZVCRSA-N 1 3 352.910 2.527 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc(Cl)n1 ZINC000831230111 745502842 /nfs/dbraw/zinc/50/28/42/745502842.db2.gz DORBFWHUDXTABK-GDBMZVCRSA-N 1 3 352.910 2.527 20 0 FFADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCc1cccc(Cl)c1Cl ZINC000843363611 747817569 /nfs/dbraw/zinc/81/75/69/747817569.db2.gz CHWJXCBJPQLGGA-UHFFFAOYSA-N 1 3 370.324 2.728 20 0 FFADHO CCOC(=O)NC1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000850442742 749365965 /nfs/dbraw/zinc/36/59/65/749365965.db2.gz HEWVHTPKQRWMHJ-VYMRPNJYSA-N 1 3 355.523 2.523 20 0 FFADHO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000851926118 749728882 /nfs/dbraw/zinc/72/88/82/749728882.db2.gz JOSXUHLCIRTBOE-ZOBUZTSGSA-N 1 3 362.451 2.814 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000852108771 749775831 /nfs/dbraw/zinc/77/58/31/749775831.db2.gz MMENIHSYEPGMOB-DLBZAZTESA-N 1 3 353.304 2.900 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000852108771 749775833 /nfs/dbraw/zinc/77/58/33/749775833.db2.gz MMENIHSYEPGMOB-DLBZAZTESA-N 1 3 353.304 2.900 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCC2CC[NH+](CC3CC3)CC2)cc(Cl)n1 ZINC000852924510 749973364 /nfs/dbraw/zinc/97/33/64/749973364.db2.gz PYXLYQVXMMQHTB-KRWDZBQOSA-N 1 3 364.921 2.672 20 0 FFADHO CN1CCN(CCCC[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000084654497 845600433 /nfs/dbraw/zinc/60/04/33/845600433.db2.gz WMTLAUPJOFXDML-UHFFFAOYSA-N 1 3 350.557 2.989 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)OC)C1 ZINC001104802544 970864279 /nfs/dbraw/zinc/86/42/79/970864279.db2.gz GPHMNDYPNBRWNR-CEXWTWQISA-N 1 3 355.567 2.608 20 0 FFADHO Cc1ncc(CN(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1C ZINC000895740576 970903320 /nfs/dbraw/zinc/90/33/20/970903320.db2.gz WKOCHPLCCLYESZ-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO Cc1ncc(CN(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1C ZINC000895740576 970903327 /nfs/dbraw/zinc/90/33/27/970903327.db2.gz WKOCHPLCCLYESZ-CALCHBBNSA-N 1 3 356.514 2.970 20 0 FFADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1CN1CCCCC1 ZINC000182999267 971084052 /nfs/dbraw/zinc/08/40/52/971084052.db2.gz UHBSCKUVESGKBQ-VQIMIIECSA-N 1 3 359.514 2.953 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000895969979 971118808 /nfs/dbraw/zinc/11/88/08/971118808.db2.gz BJFNGVIEMJQUHY-YLJYHZDGSA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000895969979 971118815 /nfs/dbraw/zinc/11/88/15/971118815.db2.gz BJFNGVIEMJQUHY-YLJYHZDGSA-N 1 3 361.530 2.971 20 0 FFADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000871783854 1013062028 /nfs/dbraw/zinc/06/20/28/1013062028.db2.gz HZFCPKRWOSGXJR-KRWDZBQOSA-N 1 3 366.469 2.895 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2sc(C)nc2C)C1 ZINC001104938640 971189406 /nfs/dbraw/zinc/18/94/06/971189406.db2.gz ZECRRCWJAOQYKW-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cc1C ZINC001087993706 971739316 /nfs/dbraw/zinc/73/93/16/971739316.db2.gz ZKFOVIGNSYUZSS-BHIFYINESA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cc1C ZINC001087993706 971739324 /nfs/dbraw/zinc/73/93/24/971739324.db2.gz ZKFOVIGNSYUZSS-BHIFYINESA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cs1 ZINC001087993330 971737588 /nfs/dbraw/zinc/73/75/88/971737588.db2.gz KPFUDNXNEAJUMT-QYZOEREBSA-N 1 3 361.555 2.677 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)cs1 ZINC001087993330 971737596 /nfs/dbraw/zinc/73/75/96/971737596.db2.gz KPFUDNXNEAJUMT-QYZOEREBSA-N 1 3 361.555 2.677 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)C1CC1 ZINC001087993446 971739053 /nfs/dbraw/zinc/73/90/53/971739053.db2.gz OVIZPJAHQMACST-HSALFYBXSA-N 1 3 359.558 2.687 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)C1CC1 ZINC001087993446 971739057 /nfs/dbraw/zinc/73/90/57/971739057.db2.gz OVIZPJAHQMACST-HSALFYBXSA-N 1 3 359.558 2.687 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999354 971777035 /nfs/dbraw/zinc/77/70/35/971777035.db2.gz HHCOVIGFCWEWPN-HLAWJBBLSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999354 971777041 /nfs/dbraw/zinc/77/70/41/971777041.db2.gz HHCOVIGFCWEWPN-HLAWJBBLSA-N 1 3 370.541 2.545 20 0 FFADHO CC/C=C\CCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275863077 1013113138 /nfs/dbraw/zinc/11/31/38/1013113138.db2.gz UYHHGFMZZSAWII-QEVIJRNUSA-N 1 3 365.562 2.626 20 0 FFADHO CC/C=C\CCCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275863077 1013113149 /nfs/dbraw/zinc/11/31/49/1013113149.db2.gz UYHHGFMZZSAWII-QEVIJRNUSA-N 1 3 365.562 2.626 20 0 FFADHO C[C@@H]1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@@]1(O)C(F)(F)F ZINC001205925130 1032065762 /nfs/dbraw/zinc/06/57/62/1032065762.db2.gz VTVDFJQKYRRVDV-ACJLOTCBSA-N 1 3 367.415 2.880 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)c1ccccc1 ZINC001275893539 1013151545 /nfs/dbraw/zinc/15/15/45/1013151545.db2.gz ILXWSZXNBGVCJW-WOJBJXKFSA-N 1 3 357.542 2.981 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)c1ccccc1 ZINC001275893539 1013151552 /nfs/dbraw/zinc/15/15/52/1013151552.db2.gz ILXWSZXNBGVCJW-WOJBJXKFSA-N 1 3 357.542 2.981 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(Cc4ccccc4)C3)CC2)CC1 ZINC000654989580 959245459 /nfs/dbraw/zinc/24/54/59/959245459.db2.gz VZPSIQPJTUDOLS-UHFFFAOYSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000655247172 959635269 /nfs/dbraw/zinc/63/52/69/959635269.db2.gz VDIJQPBMPPNYOT-DZFGPLHGSA-N 1 3 357.542 2.786 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000660659308 972453364 /nfs/dbraw/zinc/45/33/64/972453364.db2.gz OBFHHMXPJFJTDH-AEFFLSMTSA-N 1 3 372.431 2.863 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000660659308 972453370 /nfs/dbraw/zinc/45/33/70/972453370.db2.gz OBFHHMXPJFJTDH-AEFFLSMTSA-N 1 3 372.431 2.863 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2ccc(F)cc2Cl)C2CC2)CC[N@@H+]1C ZINC001266409871 960298761 /nfs/dbraw/zinc/29/87/61/960298761.db2.gz SLJCFUOVMCSJOD-XHBKTUGNSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2ccc(F)cc2Cl)C2CC2)CC[N@H+]1C ZINC001266409871 960298766 /nfs/dbraw/zinc/29/87/66/960298766.db2.gz SLJCFUOVMCSJOD-XHBKTUGNSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)Cc2ccccc21 ZINC000872874902 1013287333 /nfs/dbraw/zinc/28/73/33/1013287333.db2.gz RGMLOADUMSYFAA-KRWDZBQOSA-N 1 3 370.541 2.874 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)C1(N)Cc2ccccc2C1)Cc1ccccc1 ZINC000649292451 1013326572 /nfs/dbraw/zinc/32/65/72/1013326572.db2.gz IFKWGWVZJIYVJZ-NRFANRHFSA-N 1 3 365.521 2.552 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)CC[N@@H+]1C ZINC001095439973 1013380290 /nfs/dbraw/zinc/38/02/90/1013380290.db2.gz NUTYCKWAQRCMOK-IFLJBQAJSA-N 1 3 355.526 2.681 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)CC[N@H+]1C ZINC001095439973 1013380302 /nfs/dbraw/zinc/38/03/02/1013380302.db2.gz NUTYCKWAQRCMOK-IFLJBQAJSA-N 1 3 355.526 2.681 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001104347211 963698302 /nfs/dbraw/zinc/69/83/02/963698302.db2.gz SNTDIVNKBKZIMD-DJIMGWMZSA-N 1 3 366.937 2.649 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2F)C1)N(C)C ZINC001104347372 963699483 /nfs/dbraw/zinc/69/94/83/963699483.db2.gz XBKMYKLLOMSNPY-IDHHARJASA-N 1 3 367.484 2.879 20 0 FFADHO c1ccc(COc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000261592577 963915662 /nfs/dbraw/zinc/91/56/62/963915662.db2.gz MKPLDJCHCCBWIQ-NRFANRHFSA-N 1 3 351.494 2.745 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000656696346 964038709 /nfs/dbraw/zinc/03/87/09/964038709.db2.gz FVQNSPFTSCBOGI-LJQANCHMSA-N 1 3 362.493 2.781 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000656696346 964038720 /nfs/dbraw/zinc/03/87/20/964038720.db2.gz FVQNSPFTSCBOGI-LJQANCHMSA-N 1 3 362.493 2.781 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncs1 ZINC001087165996 964477941 /nfs/dbraw/zinc/47/79/41/964477941.db2.gz TZCGYYCPAQZIPQ-SOLBZPMBSA-N 1 3 364.559 2.733 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cncs1 ZINC001087165996 964477946 /nfs/dbraw/zinc/47/79/46/964477946.db2.gz TZCGYYCPAQZIPQ-SOLBZPMBSA-N 1 3 364.559 2.733 20 0 FFADHO Cc1oc2ccccc2c1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664687976 964959383 /nfs/dbraw/zinc/95/93/83/964959383.db2.gz HPBFSQCNLFBNQY-HNNXBMFYSA-N 1 3 360.502 2.812 20 0 FFADHO Cc1oc2ccccc2c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664687976 964959395 /nfs/dbraw/zinc/95/93/95/964959395.db2.gz HPBFSQCNLFBNQY-HNNXBMFYSA-N 1 3 360.502 2.812 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)[C@H]1c1ccccc1 ZINC000891722916 964961196 /nfs/dbraw/zinc/96/11/96/964961196.db2.gz LRJOBDVVUKGPEL-WAOWUJCRSA-N 1 3 358.530 2.838 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc(N)ccn1 ZINC000891810156 965127585 /nfs/dbraw/zinc/12/75/85/965127585.db2.gz SFUKMWOIFVWTEC-LJQANCHMSA-N 1 3 355.486 2.620 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc(N)ccn1 ZINC000891810156 965127588 /nfs/dbraw/zinc/12/75/88/965127588.db2.gz SFUKMWOIFVWTEC-LJQANCHMSA-N 1 3 355.486 2.620 20 0 FFADHO C[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000894749918 965665627 /nfs/dbraw/zinc/66/56/27/965665627.db2.gz DQDLWYBHMNQVMN-JXFKEZNVSA-N 1 3 358.530 2.994 20 0 FFADHO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000684868235 966496625 /nfs/dbraw/zinc/49/66/25/966496625.db2.gz WPOKLLJXLNDMTD-FQEVSTJZSA-N 1 3 372.557 2.773 20 0 FFADHO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000684868235 966496632 /nfs/dbraw/zinc/49/66/32/966496632.db2.gz WPOKLLJXLNDMTD-FQEVSTJZSA-N 1 3 372.557 2.773 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4onc(C)c4c3)CC2)CC1 ZINC000895034879 967176136 /nfs/dbraw/zinc/17/61/36/967176136.db2.gz XPBDBKBNTQKKRB-UHFFFAOYSA-N 1 3 357.502 2.523 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4onc(C)c4c3)CC2)CC1 ZINC000895034879 967176142 /nfs/dbraw/zinc/17/61/42/967176142.db2.gz XPBDBKBNTQKKRB-UHFFFAOYSA-N 1 3 357.502 2.523 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4onc(C)c4c3)CC2)CC1 ZINC000895034879 967176146 /nfs/dbraw/zinc/17/61/46/967176146.db2.gz XPBDBKBNTQKKRB-UHFFFAOYSA-N 1 3 357.502 2.523 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000650724131 967606011 /nfs/dbraw/zinc/60/60/11/967606011.db2.gz YOFPLDWWDCUBPG-YZGWKJHDSA-N 1 3 358.461 2.872 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000130344768 967702499 /nfs/dbraw/zinc/70/24/99/967702499.db2.gz YMGJTJYBVKMTSE-JKSUJKDBSA-N 1 3 360.502 2.511 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000130344768 967702508 /nfs/dbraw/zinc/70/25/08/967702508.db2.gz YMGJTJYBVKMTSE-JKSUJKDBSA-N 1 3 360.502 2.511 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000657870003 968128965 /nfs/dbraw/zinc/12/89/65/968128965.db2.gz BPIZCIVBPRXEPD-MAUKXSAKSA-N 1 3 357.477 2.960 20 0 FFADHO CN(Cc1cnc(-c2ccncc2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457212 968224701 /nfs/dbraw/zinc/22/47/01/968224701.db2.gz LAYGBCBHZORYEA-GOSISDBHSA-N 1 3 371.554 2.805 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1CC ZINC001087593603 968287031 /nfs/dbraw/zinc/28/70/31/968287031.db2.gz MQYZODNGEXLGCI-GVDBMIGSSA-N 1 3 357.489 2.875 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H]1CC ZINC001087593603 968287038 /nfs/dbraw/zinc/28/70/38/968287038.db2.gz MQYZODNGEXLGCI-GVDBMIGSSA-N 1 3 357.489 2.875 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCc1ccccc1F ZINC001087711969 968696832 /nfs/dbraw/zinc/69/68/32/968696832.db2.gz IQHKRMZLGXOOAS-VQTJNVASSA-N 1 3 361.505 2.679 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892464662 968882116 /nfs/dbraw/zinc/88/21/16/968882116.db2.gz LWMHPXNVCOQZDW-UHFFFAOYSA-N 1 3 356.514 2.659 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1cc(F)ccc1C ZINC001087796552 969100682 /nfs/dbraw/zinc/10/06/82/969100682.db2.gz FGQCPUNWQJYKGB-LSTHTHJFSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1cc(F)ccc1C ZINC001087796552 969100686 /nfs/dbraw/zinc/10/06/86/969100686.db2.gz FGQCPUNWQJYKGB-LSTHTHJFSA-N 1 3 361.505 2.945 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892495383 969147579 /nfs/dbraw/zinc/14/75/79/969147579.db2.gz AUIUAWBDHYROKJ-QGZVFWFLSA-N 1 3 364.509 2.677 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892496327 969151216 /nfs/dbraw/zinc/15/12/16/969151216.db2.gz LMAFCPIMDAEGES-SFHVURJKSA-N 1 3 364.509 2.677 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C4CCCCC4)CC3)CC2)CC1 ZINC000892521744 969351166 /nfs/dbraw/zinc/35/11/66/969351166.db2.gz CYJHXTWDJQYLOP-UHFFFAOYSA-N 1 3 362.562 2.957 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(C(F)F)cc1 ZINC001480976012 969471720 /nfs/dbraw/zinc/47/17/20/969471720.db2.gz QENCCQXADMBUKA-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(C(F)F)cc1 ZINC001480976012 969471724 /nfs/dbraw/zinc/47/17/24/969471724.db2.gz QENCCQXADMBUKA-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000659034209 969651751 /nfs/dbraw/zinc/65/17/51/969651751.db2.gz BAJYUGBKXQQDEJ-FQEVSTJZSA-N 1 3 372.513 2.830 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000659034209 969651755 /nfs/dbraw/zinc/65/17/55/969651755.db2.gz BAJYUGBKXQQDEJ-FQEVSTJZSA-N 1 3 372.513 2.830 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N(C)Cc1ccccc1 ZINC000659453777 969944035 /nfs/dbraw/zinc/94/40/35/969944035.db2.gz QQHKFEIHLOUIIL-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCCC2)N(C)C)cc1 ZINC000659493494 969983641 /nfs/dbraw/zinc/98/36/41/969983641.db2.gz SYDOVIOBDLHKGS-GOSISDBHSA-N 1 3 362.518 2.647 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2F)C1)N(C)C ZINC001104691893 970111813 /nfs/dbraw/zinc/11/18/13/970111813.db2.gz YWUZSQQJCQMPEB-POAQFYNOSA-N 1 3 363.521 2.783 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C2CC2)[C@@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001481170818 970297653 /nfs/dbraw/zinc/29/76/53/970297653.db2.gz SVFBTSWXCSAJHZ-AKCHCHLHSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C2CC2)[C@@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001481170818 970297656 /nfs/dbraw/zinc/29/76/56/970297656.db2.gz SVFBTSWXCSAJHZ-AKCHCHLHSA-N 1 3 359.489 2.734 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665364550 970384421 /nfs/dbraw/zinc/38/44/21/970384421.db2.gz RQPHUQDXLJKMMX-RTBURBONSA-N 1 3 358.530 2.775 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665364550 970384431 /nfs/dbraw/zinc/38/44/31/970384431.db2.gz RQPHUQDXLJKMMX-RTBURBONSA-N 1 3 358.530 2.775 20 0 FFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025794060 970422096 /nfs/dbraw/zinc/42/20/96/970422096.db2.gz RBURJUBZXWBPOO-FTVOKIHPSA-N 1 3 359.489 2.663 20 0 FFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025794060 970422103 /nfs/dbraw/zinc/42/21/03/970422103.db2.gz RBURJUBZXWBPOO-FTVOKIHPSA-N 1 3 359.489 2.663 20 0 FFADHO CC[NH+]1CCC(CCNCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC000893067992 970560447 /nfs/dbraw/zinc/56/04/47/970560447.db2.gz NWDOXSIRHMVTEU-UHFFFAOYSA-N 1 3 365.522 2.979 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c1 ZINC001088106070 972819635 /nfs/dbraw/zinc/81/96/35/972819635.db2.gz MESSRUDWNAQZIH-DWLFOUALSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)c1 ZINC001088106070 972819640 /nfs/dbraw/zinc/81/96/40/972819640.db2.gz MESSRUDWNAQZIH-DWLFOUALSA-N 1 3 369.553 2.926 20 0 FFADHO CCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106584 972826163 /nfs/dbraw/zinc/82/61/63/972826163.db2.gz IGKQPSGSWFXAIN-BWAGFHJFSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106584 972826172 /nfs/dbraw/zinc/82/61/72/972826172.db2.gz IGKQPSGSWFXAIN-BWAGFHJFSA-N 1 3 369.553 2.871 20 0 FFADHO Cc1cncc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000875714516 1014066539 /nfs/dbraw/zinc/06/65/39/1014066539.db2.gz VNYPAELPEFZEAK-HKUYNNGSSA-N 1 3 361.534 2.509 20 0 FFADHO Cc1cncc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000875714516 1014066542 /nfs/dbraw/zinc/06/65/42/1014066542.db2.gz VNYPAELPEFZEAK-HKUYNNGSSA-N 1 3 361.534 2.509 20 0 FFADHO O=C1NCCC2(CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)O1 ZINC000897019087 973158318 /nfs/dbraw/zinc/15/83/18/973158318.db2.gz PLNRRGQRROQIPW-UHFFFAOYSA-N 1 3 373.497 2.626 20 0 FFADHO Cc1ccc([C@@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2)cc1 ZINC000665760242 974091386 /nfs/dbraw/zinc/09/13/86/974091386.db2.gz DAJGIODJEJKGJN-AZUAARDMSA-N 1 3 360.546 2.766 20 0 FFADHO Cc1ccc([C@@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2)cc1 ZINC000665760242 974091395 /nfs/dbraw/zinc/09/13/95/974091395.db2.gz DAJGIODJEJKGJN-AZUAARDMSA-N 1 3 360.546 2.766 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000665760375 974091535 /nfs/dbraw/zinc/09/15/35/974091535.db2.gz HKWXEILGLSZHEZ-ZDUSSCGKSA-N 1 3 374.451 2.517 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000665760375 974091543 /nfs/dbraw/zinc/09/15/43/974091543.db2.gz HKWXEILGLSZHEZ-ZDUSSCGKSA-N 1 3 374.451 2.517 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1)[NH+](C)C ZINC001211667154 974164036 /nfs/dbraw/zinc/16/40/36/974164036.db2.gz XDDMDJQWVQPBSP-OPSLEFSISA-N 1 3 363.933 2.909 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)c1ccco1 ZINC000652190886 974689636 /nfs/dbraw/zinc/68/96/36/974689636.db2.gz BKLIVRPKZXZIBK-DYVFJYSZSA-N 1 3 362.449 2.806 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652322262 974859766 /nfs/dbraw/zinc/85/97/66/974859766.db2.gz GLKPTWVXYJTNMF-SFHVURJKSA-N 1 3 358.530 2.540 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000661856054 974878014 /nfs/dbraw/zinc/87/80/14/974878014.db2.gz DJGPDDPYUXALAC-UYAOXDASSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000661856054 974878018 /nfs/dbraw/zinc/87/80/18/974878018.db2.gz DJGPDDPYUXALAC-UYAOXDASSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)C1 ZINC001211674740 974936940 /nfs/dbraw/zinc/93/69/40/974936940.db2.gz ICWRLXGEUKQANQ-IBOZXXSSSA-N 1 3 361.917 2.665 20 0 FFADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)C1 ZINC001211674740 974936946 /nfs/dbraw/zinc/93/69/46/974936946.db2.gz ICWRLXGEUKQANQ-IBOZXXSSSA-N 1 3 361.917 2.665 20 0 FFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000652346963 974946219 /nfs/dbraw/zinc/94/62/19/974946219.db2.gz MNTQRDUTKMENBZ-WJMWBRGCSA-N 1 3 373.541 2.699 20 0 FFADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H]1CCN ZINC000652354049 974981414 /nfs/dbraw/zinc/98/14/14/974981414.db2.gz LOLCUGNYKYNPFK-LPHOPBHVSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H]1CCN ZINC000652354049 974981420 /nfs/dbraw/zinc/98/14/20/974981420.db2.gz LOLCUGNYKYNPFK-LPHOPBHVSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H]1CC[NH3+] ZINC000652354049 974981424 /nfs/dbraw/zinc/98/14/24/974981424.db2.gz LOLCUGNYKYNPFK-LPHOPBHVSA-N 1 3 372.513 2.591 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680113 975068993 /nfs/dbraw/zinc/06/89/93/975068993.db2.gz HFRGMWBCRVPIOT-VQTJNVASSA-N 1 3 354.498 2.973 20 0 FFADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297175 975412347 /nfs/dbraw/zinc/41/23/47/975412347.db2.gz OETFMQBWOIXQGB-WIYYLYMNSA-N 1 3 357.542 2.754 20 0 FFADHO COc1cc2c(cc1CN1CCC([C@@H]3C[C@H]([NH3+])CCO3)CC1)O[C@@H](C)C2 ZINC000667053171 975773839 /nfs/dbraw/zinc/77/38/39/975773839.db2.gz FWLKXMBDFMFKOW-QMIHWGKISA-N 1 3 360.498 2.737 20 0 FFADHO C[C@@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268064483 975993800 /nfs/dbraw/zinc/99/38/00/975993800.db2.gz RTUMQPWIKOXICH-GZBFAFLISA-N 1 3 355.885 2.756 20 0 FFADHO C[C@@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268064483 975993813 /nfs/dbraw/zinc/99/38/13/975993813.db2.gz RTUMQPWIKOXICH-GZBFAFLISA-N 1 3 355.885 2.756 20 0 FFADHO c1nc(C2CC2)sc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512478 976093354 /nfs/dbraw/zinc/09/33/54/976093354.db2.gz NCNLTRCXFSCOJD-OAHLLOKOSA-N 1 3 372.542 2.533 20 0 FFADHO CCN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCN(C)C1 ZINC000663516872 976111545 /nfs/dbraw/zinc/11/15/45/976111545.db2.gz CKTZHPXMINOMIO-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000663527019 976145659 /nfs/dbraw/zinc/14/56/59/976145659.db2.gz YEXFAKOOLPMCNW-AWEZNQCLSA-N 1 3 374.451 2.777 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000663527019 976145668 /nfs/dbraw/zinc/14/56/68/976145668.db2.gz YEXFAKOOLPMCNW-AWEZNQCLSA-N 1 3 374.451 2.777 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@]2(CCCN(C(=O)C(C)C)C2)C1 ZINC001167828148 976160657 /nfs/dbraw/zinc/16/06/57/976160657.db2.gz WTGIHSBQVNDNDD-FPOVZHCZSA-N 1 3 367.578 2.846 20 0 FFADHO CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663697824 976877006 /nfs/dbraw/zinc/87/70/06/976877006.db2.gz QOMFPWDRHQBMAK-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663697824 976877016 /nfs/dbraw/zinc/87/70/16/976877016.db2.gz QOMFPWDRHQBMAK-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(CC)[C@H](CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000876715973 1014359661 /nfs/dbraw/zinc/35/96/61/1014359661.db2.gz RTNWZFAYNXDIPB-VUFZRNBRSA-N 1 3 359.514 2.750 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)C[N@@H+]1Cc1ccccc1 ZINC000667799279 977053352 /nfs/dbraw/zinc/05/33/52/977053352.db2.gz QZKXOCDZPSETOP-HNAYVOBHSA-N 1 3 365.481 2.512 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)C[N@H+]1Cc1ccccc1 ZINC000667799279 977053361 /nfs/dbraw/zinc/05/33/61/977053361.db2.gz QZKXOCDZPSETOP-HNAYVOBHSA-N 1 3 365.481 2.512 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1cnc2c(c1)CNCC2)[NH+](C)C ZINC000667802447 977058110 /nfs/dbraw/zinc/05/81/10/977058110.db2.gz RAMRNQAVHFGMJQ-FOIQADDNSA-N 1 3 367.497 2.849 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccccc1Cl ZINC001268211163 977145317 /nfs/dbraw/zinc/14/53/17/977145317.db2.gz BFFXPKNSZQBYFV-QGPMSJSTSA-N 1 3 351.922 2.911 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccccc1Cl ZINC001268211163 977145322 /nfs/dbraw/zinc/14/53/22/977145322.db2.gz BFFXPKNSZQBYFV-QGPMSJSTSA-N 1 3 351.922 2.911 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000893878559 977579646 /nfs/dbraw/zinc/57/96/46/977579646.db2.gz SJBUWZVJUQDGSI-IHPCNDPISA-N 1 3 358.530 2.805 20 0 FFADHO F[C@H]1CC2(CC[C@H]1N1C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000894144464 977981421 /nfs/dbraw/zinc/98/14/21/977981421.db2.gz AVIYALHCYIFMKC-ZGXWSNOMSA-N 1 3 360.473 2.684 20 0 FFADHO F[C@H]1CC2(CC[C@H]1N1C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000894144464 977981425 /nfs/dbraw/zinc/98/14/25/977981425.db2.gz AVIYALHCYIFMKC-ZGXWSNOMSA-N 1 3 360.473 2.684 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)[C@H](C)C1 ZINC000126360647 1014476990 /nfs/dbraw/zinc/47/69/90/1014476990.db2.gz KQUSGRDWZYZQIX-YLJYHZDGSA-N 1 3 371.529 2.802 20 0 FFADHO C[NH+]1CCC(CNC(=O)c2cc3c(s2)CCNC3)(c2ccccc2)CC1 ZINC000877225149 1014517069 /nfs/dbraw/zinc/51/70/69/1014517069.db2.gz SKFJSCGZQYVXNV-UHFFFAOYSA-N 1 3 369.534 2.787 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000654062766 1014558486 /nfs/dbraw/zinc/55/84/86/1014558486.db2.gz BZXPRBZVFSMGJG-KSZLIROESA-N 1 3 365.468 2.600 20 0 FFADHO NC1(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)Cc2ccccc2C1 ZINC000877450061 1014587427 /nfs/dbraw/zinc/58/74/27/1014587427.db2.gz XCLVLAOXMLEVFU-OXQOHEQNSA-N 1 3 355.526 2.629 20 0 FFADHO Cc1ccncc1CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866098 1014602612 /nfs/dbraw/zinc/60/26/12/1014602612.db2.gz ALSHTELIDNPSRZ-MISYRCLQSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ccncc1CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866098 1014602618 /nfs/dbraw/zinc/60/26/18/1014602618.db2.gz ALSHTELIDNPSRZ-MISYRCLQSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088836218 979855284 /nfs/dbraw/zinc/85/52/84/979855284.db2.gz KUWJZUQIPVBIDI-BEFAXECRSA-N 1 3 354.498 2.589 20 0 FFADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc2ccccc21 ZINC000904473529 980283994 /nfs/dbraw/zinc/28/39/94/980283994.db2.gz RFNDULJNMGYWGE-HZPDHXFCSA-N 1 3 355.482 2.696 20 0 FFADHO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877665652 1014667657 /nfs/dbraw/zinc/66/76/57/1014667657.db2.gz CYKGIDJBHXNTLE-ZJOUEHCJSA-N 1 3 357.542 2.789 20 0 FFADHO C[C@H]1CN(Cc2sc(N3CCC(O)CC3)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206004017 1032102302 /nfs/dbraw/zinc/10/23/02/1032102302.db2.gz OYEIWNOKBSXJBV-STQMWFEESA-N 1 3 372.966 2.564 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000907332345 981227311 /nfs/dbraw/zinc/22/73/11/981227311.db2.gz UQOVLFUBTDNTGR-FXAWDEMLSA-N 1 3 371.525 2.771 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000907332345 981227315 /nfs/dbraw/zinc/22/73/15/981227315.db2.gz UQOVLFUBTDNTGR-FXAWDEMLSA-N 1 3 371.525 2.771 20 0 FFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H](c1cccs1)N1CCCC1 ZINC000668661222 981374844 /nfs/dbraw/zinc/37/48/44/981374844.db2.gz YKVURZKMNMLAKK-SFHVURJKSA-N 1 3 370.522 2.988 20 0 FFADHO COc1ccc2c(c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2 ZINC000666869688 982334728 /nfs/dbraw/zinc/33/47/28/982334728.db2.gz FGVJDQSQABAFOH-HNNXBMFYSA-N 1 3 362.518 2.577 20 0 FFADHO COc1ccc2c(c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2 ZINC000666869688 982334736 /nfs/dbraw/zinc/33/47/36/982334736.db2.gz FGVJDQSQABAFOH-HNNXBMFYSA-N 1 3 362.518 2.577 20 0 FFADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(CCO)cc2)CC1 ZINC000898169686 982633162 /nfs/dbraw/zinc/63/31/62/982633162.db2.gz LENYRYQARUNWEG-UHFFFAOYSA-N 1 3 373.928 2.916 20 0 FFADHO C[C@H]1CN(Cc2ccc(O)c(I)c2)CCC[C@H]1C[NH3+] ZINC001206012925 1032108134 /nfs/dbraw/zinc/10/81/34/1032108134.db2.gz OILOYSRCUPIXEY-AAEUAGOBSA-N 1 3 374.266 2.804 20 0 FFADHO COc1ccc2c(c1)nccc2N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764184867 984360134 /nfs/dbraw/zinc/36/01/34/984360134.db2.gz BRWGIQFAKYYVND-OXQOHEQNSA-N 1 3 354.498 2.706 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC(C)([NH3+])CC2)c2ccccc2)CC1 ZINC000669402536 984532579 /nfs/dbraw/zinc/53/25/79/984532579.db2.gz BBEUFJAFOHZTOC-IBGZPJMESA-N 1 3 358.530 2.982 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2)C1CC1 ZINC001107438436 984539220 /nfs/dbraw/zinc/53/92/20/984539220.db2.gz APPUQADQIGNNPR-WSTZPKSXSA-N 1 3 361.555 2.949 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccsc1)CC2)C1CC1 ZINC001107438436 984539225 /nfs/dbraw/zinc/53/92/25/984539225.db2.gz APPUQADQIGNNPR-WSTZPKSXSA-N 1 3 361.555 2.949 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107442367 984543962 /nfs/dbraw/zinc/54/39/62/984543962.db2.gz DFESREACOZQCBS-TUNNFDKTSA-N 1 3 370.541 2.817 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cccnc1)CC2 ZINC001107442367 984543969 /nfs/dbraw/zinc/54/39/69/984543969.db2.gz DFESREACOZQCBS-TUNNFDKTSA-N 1 3 370.541 2.817 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cccs1)CC2)N(C)C ZINC001107450902 984555822 /nfs/dbraw/zinc/55/58/22/984555822.db2.gz PDPASTVSPPEWJF-QWFCFKBJSA-N 1 3 363.571 2.992 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1cccs1)CC2)N(C)C ZINC001107450902 984555825 /nfs/dbraw/zinc/55/58/25/984555825.db2.gz PDPASTVSPPEWJF-QWFCFKBJSA-N 1 3 363.571 2.992 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2)N(C)C ZINC001107538086 984650362 /nfs/dbraw/zinc/65/03/62/984650362.db2.gz FVMBBCCEAOHWJZ-SFHLNBCPSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2)N(C)C ZINC001107538086 984650367 /nfs/dbraw/zinc/65/03/67/984650367.db2.gz FVMBBCCEAOHWJZ-SFHLNBCPSA-N 1 3 358.530 2.529 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669484031 984650437 /nfs/dbraw/zinc/65/04/37/984650437.db2.gz ZDIIOYWIVXATCY-HSALFYBXSA-N 1 3 356.514 2.750 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483824 984650730 /nfs/dbraw/zinc/65/07/30/984650730.db2.gz OHROWDIKUNFIED-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000669483994 984650742 /nfs/dbraw/zinc/65/07/42/984650742.db2.gz XFWBLFXIDRUVKC-RBBKRZOGSA-N 1 3 370.541 2.999 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)CN4CCC[C@H]4C)CCC[C@@H]23)c1 ZINC001107546667 984671767 /nfs/dbraw/zinc/67/17/67/984671767.db2.gz LDMRJEQGXXJFJS-SYYKKAFVSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)CN4CCC[C@H]4C)CCC[C@@H]23)c1 ZINC001107546667 984671772 /nfs/dbraw/zinc/67/17/72/984671772.db2.gz LDMRJEQGXXJFJS-SYYKKAFVSA-N 1 3 370.541 2.735 20 0 FFADHO COCCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552114 984681075 /nfs/dbraw/zinc/68/10/75/984681075.db2.gz FORXONAYAUOAMJ-WIYYLYMNSA-N 1 3 367.578 2.752 20 0 FFADHO COCCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552114 984681079 /nfs/dbraw/zinc/68/10/79/984681079.db2.gz FORXONAYAUOAMJ-WIYYLYMNSA-N 1 3 367.578 2.752 20 0 FFADHO CC(C)OCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552694 984682992 /nfs/dbraw/zinc/68/29/92/984682992.db2.gz RUUSAZJZNWLKRR-WIYYLYMNSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)OCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552694 984682996 /nfs/dbraw/zinc/68/29/96/984682996.db2.gz RUUSAZJZNWLKRR-WIYYLYMNSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H]1CN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC[C@@H]1[NH3+] ZINC000669562592 984785017 /nfs/dbraw/zinc/78/50/17/984785017.db2.gz VRSJNLWDDJXVOQ-AABGKKOBSA-N 1 3 360.546 2.912 20 0 FFADHO C[C@H](CN[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C[NH+]1CCCCC1 ZINC000765241606 985000219 /nfs/dbraw/zinc/00/02/19/985000219.db2.gz ZGLZGKWWBPBDOC-KCZVDYSFSA-N 1 3 359.558 2.988 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)[C@@H](C)C1 ZINC000765251079 985004155 /nfs/dbraw/zinc/00/41/55/985004155.db2.gz KQUSGRDWZYZQIX-FXAWDEMLSA-N 1 3 371.529 2.802 20 0 FFADHO OC[C@@H]1CCC[N@@H+](C[C@@H](CN2CCC[C@H](CO)CC2)c2ccccc2)CC1 ZINC000878656540 1015152333 /nfs/dbraw/zinc/15/23/33/1015152333.db2.gz RJQLEHOPLJGZFL-SGRGSNTQSA-N 1 3 374.569 2.959 20 0 FFADHO OC[C@@H]1CCC[N@H+](C[C@@H](CN2CCC[C@H](CO)CC2)c2ccccc2)CC1 ZINC000878656540 1015152336 /nfs/dbraw/zinc/15/23/36/1015152336.db2.gz RJQLEHOPLJGZFL-SGRGSNTQSA-N 1 3 374.569 2.959 20 0 FFADHO OC[C@@H]1CCCN(C[C@@H](C[N@@H+]2CCC[C@H](CO)CC2)c2ccccc2)CC1 ZINC000878656540 1015152342 /nfs/dbraw/zinc/15/23/42/1015152342.db2.gz RJQLEHOPLJGZFL-SGRGSNTQSA-N 1 3 374.569 2.959 20 0 FFADHO OC[C@@H]1CCCN(C[C@@H](C[N@H+]2CCC[C@H](CO)CC2)c2ccccc2)CC1 ZINC000878656540 1015152348 /nfs/dbraw/zinc/15/23/48/1015152348.db2.gz RJQLEHOPLJGZFL-SGRGSNTQSA-N 1 3 374.569 2.959 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C2CCC2)cc1 ZINC001089038804 986055995 /nfs/dbraw/zinc/05/59/95/986055995.db2.gz LZBCWKRSFUOLJO-CZAAIQMYSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C2CCC2)cc1 ZINC001089038804 986056006 /nfs/dbraw/zinc/05/60/06/986056006.db2.gz LZBCWKRSFUOLJO-CZAAIQMYSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCF)C1)N1CCCCCC1 ZINC001112540325 986437498 /nfs/dbraw/zinc/43/74/98/986437498.db2.gz QIZLNBWWIRAHKJ-HBFSDRIKSA-N 1 3 353.526 2.829 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC001089180318 986507432 /nfs/dbraw/zinc/50/74/32/986507432.db2.gz NZAFZKVLIYGMAG-LSTHTHJFSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC001089180318 986507440 /nfs/dbraw/zinc/50/74/40/986507440.db2.gz NZAFZKVLIYGMAG-LSTHTHJFSA-N 1 3 361.505 2.979 20 0 FFADHO CO[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001212436903 986983649 /nfs/dbraw/zinc/98/36/49/986983649.db2.gz PPRGRKCHMMGXGX-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001212436903 986983653 /nfs/dbraw/zinc/98/36/53/986983653.db2.gz PPRGRKCHMMGXGX-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001106133367 987034144 /nfs/dbraw/zinc/03/41/44/987034144.db2.gz KYLMVHAHRVGWAO-QRVBRYPASA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc(OC)cc3)CC2)CC[N@@H+]1C ZINC001002858334 987550322 /nfs/dbraw/zinc/55/03/22/987550322.db2.gz CATROSLURKOKQJ-VQTJNVASSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc(OC)cc3)CC2)CC[N@H+]1C ZINC001002858334 987550327 /nfs/dbraw/zinc/55/03/27/987550327.db2.gz CATROSLURKOKQJ-VQTJNVASSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc4c(c3)COC4)CC2)CC[N@@H+]1C ZINC001002859276 987552030 /nfs/dbraw/zinc/55/20/30/987552030.db2.gz ONDGCPLZTNVSIJ-LEWJYISDSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc4c(c3)COC4)CC2)CC[N@H+]1C ZINC001002859276 987552038 /nfs/dbraw/zinc/55/20/38/987552038.db2.gz ONDGCPLZTNVSIJ-LEWJYISDSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCc1ccccc1F ZINC001106246567 987751692 /nfs/dbraw/zinc/75/16/92/987751692.db2.gz ORLAIQGIOWVBNL-SJLPKXTDSA-N 1 3 361.505 2.537 20 0 FFADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000765973816 988045891 /nfs/dbraw/zinc/04/58/91/988045891.db2.gz FUCFJXYWUGESTF-JXFKEZNVSA-N 1 3 373.497 2.937 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000915320884 988429514 /nfs/dbraw/zinc/42/95/14/988429514.db2.gz FFHAMQVRLMOOHP-UHFFFAOYSA-N 1 3 371.529 2.577 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)[C@@H]1C(C)C ZINC000922394940 988543017 /nfs/dbraw/zinc/54/30/17/988543017.db2.gz ZFBFGDDLHQFAPZ-RPHTVSPISA-N 1 3 374.525 2.807 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)[C@@H]1C(C)C ZINC000922394940 988543030 /nfs/dbraw/zinc/54/30/30/988543030.db2.gz ZFBFGDDLHQFAPZ-RPHTVSPISA-N 1 3 374.525 2.807 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)[C@H]1C(C)C ZINC000922394939 988544204 /nfs/dbraw/zinc/54/42/04/988544204.db2.gz ZFBFGDDLHQFAPZ-MCEIDBOGSA-N 1 3 374.525 2.807 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc4c3OCCCO4)C2)[C@H]1C(C)C ZINC000922394939 988544217 /nfs/dbraw/zinc/54/42/17/988544217.db2.gz ZFBFGDDLHQFAPZ-MCEIDBOGSA-N 1 3 374.525 2.807 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(NC(C)=O)c3)C2)[C@@H]1C(C)C ZINC000922391823 988549306 /nfs/dbraw/zinc/54/93/06/988549306.db2.gz ABAKITKYTPQBNK-MXEMCNAFSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(NC(C)=O)c3)C2)[C@@H]1C(C)C ZINC000922391823 988549316 /nfs/dbraw/zinc/54/93/16/988549316.db2.gz ABAKITKYTPQBNK-MXEMCNAFSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3OC)C2)[C@@H]1C(C)C ZINC000922391804 988549851 /nfs/dbraw/zinc/54/98/51/988549851.db2.gz HFQARGOPGQCEHW-JYWFKMLOSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3OC)C2)[C@@H]1C(C)C ZINC000922391804 988549857 /nfs/dbraw/zinc/54/98/57/988549857.db2.gz HFQARGOPGQCEHW-JYWFKMLOSA-N 1 3 362.514 2.663 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666495 988609639 /nfs/dbraw/zinc/60/96/39/988609639.db2.gz MKLBEXSNQDSJET-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO Cc1ccc(CCC[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001106704757 988726626 /nfs/dbraw/zinc/72/66/26/988726626.db2.gz BMRJHOCSUVKEAP-IEBWSBKVSA-N 1 3 354.498 2.578 20 0 FFADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248223 1015436813 /nfs/dbraw/zinc/43/68/13/1015436813.db2.gz JXSVLVCMXHIDCK-GOSISDBHSA-N 1 3 355.526 2.768 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)cc1 ZINC001106797051 989120792 /nfs/dbraw/zinc/12/07/92/989120792.db2.gz GMRJAUOEXIQZOY-IFMALSPDSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC(N)=O)cc1 ZINC000674068152 989537227 /nfs/dbraw/zinc/53/72/27/989537227.db2.gz SXYXSJOHJCLSTC-UWJYYQICSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC(N)=O)cc1 ZINC000674068152 989537232 /nfs/dbraw/zinc/53/72/32/989537232.db2.gz SXYXSJOHJCLSTC-UWJYYQICSA-N 1 3 351.494 2.715 20 0 FFADHO Cc1cc2ncn(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c2cc1C ZINC000763335038 989693557 /nfs/dbraw/zinc/69/35/57/989693557.db2.gz KSXJSBGVYAFLDA-AZUAARDMSA-N 1 3 355.530 2.568 20 0 FFADHO Cc1cc2ncn(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c2cc1C ZINC000763335038 989693559 /nfs/dbraw/zinc/69/35/59/989693559.db2.gz KSXJSBGVYAFLDA-AZUAARDMSA-N 1 3 355.530 2.568 20 0 FFADHO Cc1cc2ncn(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2cc1C ZINC000763335038 989693563 /nfs/dbraw/zinc/69/35/63/989693563.db2.gz KSXJSBGVYAFLDA-AZUAARDMSA-N 1 3 355.530 2.568 20 0 FFADHO CCN(C(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652345677 1015531806 /nfs/dbraw/zinc/53/18/06/1015531806.db2.gz IMYPJYRRPYRKHJ-GNBUJSLZSA-N 1 3 359.514 2.646 20 0 FFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000652346961 1015534392 /nfs/dbraw/zinc/53/43/92/1015534392.db2.gz MNTQRDUTKMENBZ-MJUUVYJYSA-N 1 3 373.541 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCc2ccc(CNCc3cccnc3)cc2)CC[N@@H+]1C ZINC001034818178 990279320 /nfs/dbraw/zinc/27/93/20/990279320.db2.gz CREHWGMPMOXAGW-LEWJYISDSA-N 1 3 366.509 2.718 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCc2ccc(CNCc3cccnc3)cc2)CC[N@H+]1C ZINC001034818178 990279324 /nfs/dbraw/zinc/27/93/24/990279324.db2.gz CREHWGMPMOXAGW-LEWJYISDSA-N 1 3 366.509 2.718 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000675532370 990297930 /nfs/dbraw/zinc/29/79/30/990297930.db2.gz GEPOMEQEPRWFGU-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000675532370 990297933 /nfs/dbraw/zinc/29/79/33/990297933.db2.gz GEPOMEQEPRWFGU-RLLQIKCJSA-N 1 3 358.530 2.948 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cc(C)ccc2F)CC[N@@H+]1C ZINC001034940982 990324563 /nfs/dbraw/zinc/32/45/63/990324563.db2.gz JNEMAHNCGGWUJN-WSTZPKSXSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cc(C)ccc2F)CC[N@H+]1C ZINC001034940982 990324565 /nfs/dbraw/zinc/32/45/65/990324565.db2.gz JNEMAHNCGGWUJN-WSTZPKSXSA-N 1 3 361.505 2.945 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000918120559 990339265 /nfs/dbraw/zinc/33/92/65/990339265.db2.gz GYRYWYMAEPVGGN-GOSISDBHSA-N 1 3 358.530 2.608 20 0 FFADHO Cc1cccc(CN2CC3(C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC3)c1 ZINC001035708100 990530147 /nfs/dbraw/zinc/53/01/47/990530147.db2.gz BPYIMZBBEHVFRQ-UYAOXDASSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(CN2CC3(C2)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC3)c1 ZINC001035708100 990530155 /nfs/dbraw/zinc/53/01/55/990530155.db2.gz BPYIMZBBEHVFRQ-UYAOXDASSA-N 1 3 355.526 2.760 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CN(Cc3cccc4ccccc43)C2)CC[N@@H+]1C ZINC001031682857 990959783 /nfs/dbraw/zinc/95/97/83/990959783.db2.gz YBLLJMZVCNBNGI-OXQOHEQNSA-N 1 3 351.494 2.728 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CN(Cc3cccc4ccccc43)C2)CC[N@H+]1C ZINC001031682857 990959794 /nfs/dbraw/zinc/95/97/94/990959794.db2.gz YBLLJMZVCNBNGI-OXQOHEQNSA-N 1 3 351.494 2.728 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+](CC)CC)cc2)CC1 ZINC000921112981 990977058 /nfs/dbraw/zinc/97/70/58/990977058.db2.gz KHGGOYSCCUAYIQ-QGZVFWFLSA-N 1 3 361.534 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001484137348 991408844 /nfs/dbraw/zinc/40/88/44/991408844.db2.gz WVHVUYQCIZUOFT-LSDHHAIUSA-N 1 3 363.468 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(C)CCN(CCC(F)(F)F)CC2)CC[N@H+]1C ZINC001484137348 991408850 /nfs/dbraw/zinc/40/88/50/991408850.db2.gz WVHVUYQCIZUOFT-LSDHHAIUSA-N 1 3 363.468 2.887 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC001106910665 991525301 /nfs/dbraw/zinc/52/53/01/991525301.db2.gz IYLMYPASEZISOG-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079153496 991819075 /nfs/dbraw/zinc/81/90/75/991819075.db2.gz KNRIGVNKZQDLEZ-ZCNNSNEGSA-N 1 3 361.505 2.850 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CC2)C1 ZINC001079198501 991871916 /nfs/dbraw/zinc/87/19/16/991871916.db2.gz DIAIHVVTALLDJQ-RYGJVYDSSA-N 1 3 359.489 2.604 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)ccc1OC ZINC000182440164 992048732 /nfs/dbraw/zinc/04/87/32/992048732.db2.gz YRHDCRMDIJUXSK-MSOLQXFVSA-N 1 3 363.546 2.908 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C)c(C)c3)C[C@H]2C)CC[N@@H+]1C ZINC001079733055 992371562 /nfs/dbraw/zinc/37/15/62/992371562.db2.gz ZMKMAZYVTLOJDA-GFOJFJKKSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(C)c(C)c3)C[C@H]2C)CC[N@H+]1C ZINC001079733055 992371568 /nfs/dbraw/zinc/37/15/68/992371568.db2.gz ZMKMAZYVTLOJDA-GFOJFJKKSA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001080021844 992657088 /nfs/dbraw/zinc/65/70/88/992657088.db2.gz VKFGPZQXNKERRS-BHIYHBOVSA-N 1 3 363.571 2.848 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001080021844 992657090 /nfs/dbraw/zinc/65/70/90/992657090.db2.gz VKFGPZQXNKERRS-BHIYHBOVSA-N 1 3 363.571 2.848 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)cc1 ZINC001080193017 992812048 /nfs/dbraw/zinc/81/20/48/992812048.db2.gz XOYNHJGTEGSKFB-STZQEDGTSA-N 1 3 369.553 2.848 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)cc1 ZINC001080193017 992812056 /nfs/dbraw/zinc/81/20/56/992812056.db2.gz XOYNHJGTEGSKFB-STZQEDGTSA-N 1 3 369.553 2.848 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCCC1 ZINC001080554062 993159677 /nfs/dbraw/zinc/15/96/77/993159677.db2.gz ALIPQRZDDVFQET-BFYDXBDKSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCCC1 ZINC001080554062 993159681 /nfs/dbraw/zinc/15/96/81/993159681.db2.gz ALIPQRZDDVFQET-BFYDXBDKSA-N 1 3 357.489 2.733 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C ZINC001080756356 993339688 /nfs/dbraw/zinc/33/96/88/993339688.db2.gz QWGKNIJTSYUYBF-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C ZINC001080756356 993339693 /nfs/dbraw/zinc/33/96/93/993339693.db2.gz QWGKNIJTSYUYBF-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)c1cnccc1N(C)C ZINC001080795268 993379636 /nfs/dbraw/zinc/37/96/36/993379636.db2.gz JSIBXNWEEINYID-RDTXWAMCSA-N 1 3 356.445 2.537 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)c1cnccc1N(C)C ZINC001080795268 993379641 /nfs/dbraw/zinc/37/96/41/993379641.db2.gz JSIBXNWEEINYID-RDTXWAMCSA-N 1 3 356.445 2.537 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC3CCC3)C2)CCC1 ZINC001081125688 993657505 /nfs/dbraw/zinc/65/75/05/993657505.db2.gz MUXJHZVRBMIAGV-VQTJNVASSA-N 1 3 355.526 2.855 20 0 FFADHO CCN1C[C@H](C)N(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000808664351 994207866 /nfs/dbraw/zinc/20/78/66/994207866.db2.gz WFMIYKXMQPGIJH-HDDQXRTFSA-N 1 3 359.514 2.581 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131464121 994278209 /nfs/dbraw/zinc/27/82/09/994278209.db2.gz FAJZYGDJYFJOQE-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082520645 994811531 /nfs/dbraw/zinc/81/15/31/994811531.db2.gz KHMOEKKBGCKMIU-ZHCAMHROSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082520645 994811545 /nfs/dbraw/zinc/81/15/45/994811545.db2.gz KHMOEKKBGCKMIU-ZHCAMHROSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001082561587 994940904 /nfs/dbraw/zinc/94/09/04/994940904.db2.gz CJPJLZYFDYEJDP-HLLBOEOZSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC001082561750 994944385 /nfs/dbraw/zinc/94/43/85/994944385.db2.gz ORMYJXBSOAXSRH-MAODMQOUSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570156 994965310 /nfs/dbraw/zinc/96/53/10/994965310.db2.gz ARYPFDAPXSFLMT-RPVQJOFSSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082570156 994965319 /nfs/dbraw/zinc/96/53/19/994965319.db2.gz ARYPFDAPXSFLMT-RPVQJOFSSA-N 1 3 364.559 2.571 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCc1cccc(Cl)n1 ZINC001082570474 994968598 /nfs/dbraw/zinc/96/85/98/994968598.db2.gz NGUHJQVIFNZLCM-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCc1cccc(Cl)n1 ZINC001082570474 994968607 /nfs/dbraw/zinc/96/86/07/994968607.db2.gz NGUHJQVIFNZLCM-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO CC(C)Cc1ccccc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903460071 1015906101 /nfs/dbraw/zinc/90/61/01/1015906101.db2.gz WJWDFTNXXFTXCX-RTWAWAEBSA-N 1 3 370.541 2.605 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082612505 995089703 /nfs/dbraw/zinc/08/97/03/995089703.db2.gz RBKBBRLWCLYSQU-AHRSYUTCSA-N 1 3 361.505 2.883 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082612505 995089711 /nfs/dbraw/zinc/08/97/11/995089711.db2.gz RBKBBRLWCLYSQU-AHRSYUTCSA-N 1 3 361.505 2.883 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCCC[NH+]2CCCC2)N2CCCC2)c1 ZINC000054045698 995153392 /nfs/dbraw/zinc/15/33/92/995153392.db2.gz QXOCSGZBGFCJSZ-FQEVSTJZSA-N 1 3 374.529 2.617 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2Cl)C1)N(C)C ZINC001082748398 995311946 /nfs/dbraw/zinc/31/19/46/995311946.db2.gz KCWZEQIKQINFPY-OLMNPRSZSA-N 1 3 351.922 2.925 20 0 FFADHO CCOC(=O)c1ccc2c(c1)nc(CN1C[C@@H](C)[C@H](CC[NH3+])C1)n2CC ZINC000903498749 1015935220 /nfs/dbraw/zinc/93/52/20/1015935220.db2.gz CRKQSLAXAMSWDF-GDBMZVCRSA-N 1 3 358.486 2.650 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2)C1)N(C)C ZINC001082724695 995361268 /nfs/dbraw/zinc/36/12/68/995361268.db2.gz BTMCURBVTVJRIF-ATZDWAIDSA-N 1 3 365.949 2.905 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3sccc3Cl)C2)C1 ZINC001082741860 995398721 /nfs/dbraw/zinc/39/87/21/995398721.db2.gz GHKFOGQEWIBFIH-UMVBOHGHSA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3sccc3Cl)C2)C1 ZINC001082741860 995398728 /nfs/dbraw/zinc/39/87/28/995398728.db2.gz GHKFOGQEWIBFIH-UMVBOHGHSA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001082742191 995400059 /nfs/dbraw/zinc/40/00/59/995400059.db2.gz VAHFJXSVPOWOTR-PMUMKWKESA-N 1 3 367.896 2.757 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)CC[N@H+]1C ZINC001054134489 1015946378 /nfs/dbraw/zinc/94/63/78/1015946378.db2.gz FMJPSEHCNVAJAN-TUNNFDKTSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001082766787 995450509 /nfs/dbraw/zinc/45/05/09/995450509.db2.gz ZPTPRKZCIFEDEE-FOIQADDNSA-N 1 3 352.482 2.856 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)CC[N@@H+]1C ZINC001054133783 1015946340 /nfs/dbraw/zinc/94/63/40/1015946340.db2.gz MKYSRCWOXWYZPG-TUNNFDKTSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)CC[N@H+]1C ZINC001054133783 1015946343 /nfs/dbraw/zinc/94/63/43/1015946343.db2.gz MKYSRCWOXWYZPG-TUNNFDKTSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)CC[N@@H+]1C ZINC001054134489 1015946375 /nfs/dbraw/zinc/94/63/75/1015946375.db2.gz FMJPSEHCNVAJAN-TUNNFDKTSA-N 1 3 370.541 2.626 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001082783265 995491297 /nfs/dbraw/zinc/49/12/97/995491297.db2.gz MRRYTMNURCZAPB-BHIYHBOVSA-N 1 3 363.571 2.990 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001082943660 995881644 /nfs/dbraw/zinc/88/16/44/995881644.db2.gz VCFPMHNWDVTKQH-YHYVQYDKSA-N 1 3 369.553 2.986 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001082943412 995881725 /nfs/dbraw/zinc/88/17/25/995881725.db2.gz HXOIIDKAQMHRBE-NIKGAXFTSA-N 1 3 365.468 2.776 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001082943895 995882936 /nfs/dbraw/zinc/88/29/36/995882936.db2.gz PRRJMKWCHVHVOC-KYJSFNMBSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc5c(c4)CCC5)C[C@H]32)CC[N@@H+]1C ZINC001084355469 996482936 /nfs/dbraw/zinc/48/29/36/996482936.db2.gz ZXKNTANSQWUPHD-XUFNMVPLSA-N 1 3 367.537 2.548 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc5c(c4)CCC5)C[C@H]32)CC[N@H+]1C ZINC001084355469 996482939 /nfs/dbraw/zinc/48/29/39/996482939.db2.gz ZXKNTANSQWUPHD-XUFNMVPLSA-N 1 3 367.537 2.548 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662573 996774686 /nfs/dbraw/zinc/77/46/86/996774686.db2.gz OZHXMJIDCBIKPX-IOMROCGXSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662573 996774691 /nfs/dbraw/zinc/77/46/91/996774691.db2.gz OZHXMJIDCBIKPX-IOMROCGXSA-N 1 3 355.526 2.624 20 0 FFADHO Cc1cccc([C@@H](C)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001084778078 997316033 /nfs/dbraw/zinc/31/60/33/997316033.db2.gz DNUCALPCKJBTDQ-MISYRCLQSA-N 1 3 353.510 2.685 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H](N[C@H]2CCc3cc(Cl)ccc3C2)[C@@H]([NH3+])C1 ZINC001171099723 997636941 /nfs/dbraw/zinc/63/69/41/997636941.db2.gz KPMRFVPVIXHGDO-YESZJQIVSA-N 1 3 365.905 2.734 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903759554 1016181178 /nfs/dbraw/zinc/18/11/78/1016181178.db2.gz AHEPHLDMQAJHMO-PMACEKPBSA-N 1 3 356.514 2.530 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3cnc(Cl)s3)C2)CC[N@@H+]1C ZINC001091039273 998277155 /nfs/dbraw/zinc/27/71/55/998277155.db2.gz WPUSZFHOWGXFRV-CXTZMWEQSA-N 1 3 370.950 2.511 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CC(NCc3cnc(Cl)s3)C2)CC[N@H+]1C ZINC001091039273 998277162 /nfs/dbraw/zinc/27/71/62/998277162.db2.gz WPUSZFHOWGXFRV-CXTZMWEQSA-N 1 3 370.950 2.511 20 0 FFADHO C[N@@H+]1CCC[C@@H](CC(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273256035 998724705 /nfs/dbraw/zinc/72/47/05/998724705.db2.gz SPEHWHXEHOUDLR-GHTZIAJQSA-N 1 3 358.530 2.561 20 0 FFADHO C[N@H+]1CCC[C@@H](CC(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273256035 998724708 /nfs/dbraw/zinc/72/47/08/998724708.db2.gz SPEHWHXEHOUDLR-GHTZIAJQSA-N 1 3 358.530 2.561 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001085072293 998852951 /nfs/dbraw/zinc/85/29/51/998852951.db2.gz RGWQZVDBISPSEP-RLLQIKCJSA-N 1 3 365.537 2.779 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@@H]32)c1 ZINC001085100441 998944992 /nfs/dbraw/zinc/94/49/92/998944992.db2.gz BVMWIAXRTQOWDM-RTWAWAEBSA-N 1 3 370.541 2.689 20 0 FFADHO CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903879703 1016282887 /nfs/dbraw/zinc/28/28/87/1016282887.db2.gz HRRAYRGDNQYVPW-FUHWJXTLSA-N 1 3 357.502 2.664 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ncccc2C)CC[N@@H+]1C ZINC001085203547 999156967 /nfs/dbraw/zinc/15/69/67/999156967.db2.gz OZCMVKOGGBRLNC-JRBPQWBISA-N 1 3 358.530 2.637 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ncccc2C)CC[N@H+]1C ZINC001085203547 999156971 /nfs/dbraw/zinc/15/69/71/999156971.db2.gz OZCMVKOGGBRLNC-JRBPQWBISA-N 1 3 358.530 2.637 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1)N1CCCC1 ZINC001085295459 999312354 /nfs/dbraw/zinc/31/23/54/999312354.db2.gz HEIMBRHMIMJWAR-KZNAEPCWSA-N 1 3 365.562 2.693 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC001086089544 999757963 /nfs/dbraw/zinc/75/79/63/999757963.db2.gz DRLQMPCINLRBGD-JXSMBQFASA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC001086089544 999757966 /nfs/dbraw/zinc/75/79/66/999757966.db2.gz DRLQMPCINLRBGD-JXSMBQFASA-N 1 3 365.468 2.680 20 0 FFADHO CCCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1OC ZINC000903980252 1016355122 /nfs/dbraw/zinc/35/51/22/1016355122.db2.gz LXSPPCVRAIOKHY-BGYRXZFFSA-N 1 3 373.541 2.885 20 0 FFADHO CCCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1OC ZINC000903980252 1016355129 /nfs/dbraw/zinc/35/51/29/1016355129.db2.gz LXSPPCVRAIOKHY-BGYRXZFFSA-N 1 3 373.541 2.885 20 0 FFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001086369842 999873708 /nfs/dbraw/zinc/87/37/08/999873708.db2.gz CMTYCUJPETWLEN-SSRUIJIPSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001086369842 999873709 /nfs/dbraw/zinc/87/37/09/999873709.db2.gz CMTYCUJPETWLEN-SSRUIJIPSA-N 1 3 365.468 2.850 20 0 FFADHO CC[C@H](C(=O)NC1CCN(Cc2cccc(OC)c2)CC1)[NH+](CC)CC ZINC000746139934 999951273 /nfs/dbraw/zinc/95/12/73/999951273.db2.gz RPNKQZOUWOYQID-HXUWFJFHSA-N 1 3 361.530 2.896 20 0 FFADHO CCN([C@H]1CCOC1)C1CC[NH+](C2CCC(C)(C(=O)OC)CC2)CC1 ZINC001168788175 999992299 /nfs/dbraw/zinc/99/22/99/999992299.db2.gz QUDIVEZJCCZMCB-IPCDKGFNSA-N 1 3 352.519 2.684 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC001168798727 999998046 /nfs/dbraw/zinc/99/80/46/999998046.db2.gz FQXAMASFAGCSHV-UHFFFAOYSA-N 1 3 361.530 2.964 20 0 FFADHO CC1(C)C[C@@H](Nc2cccc(=NN3C(=O)CCC3=O)[nH]2)C[C@@](C)(C[NH3+])C1 ZINC001169146716 1000027479 /nfs/dbraw/zinc/02/74/79/1000027479.db2.gz RXOKHYLWIJOLMS-BFUOFWGJSA-N 1 3 359.474 2.513 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H](N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC001169407222 1000044154 /nfs/dbraw/zinc/04/41/54/1000044154.db2.gz AMXXKMRCNULHEC-AQNXPRMDSA-N 1 3 360.498 2.551 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H](N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001169407222 1000044155 /nfs/dbraw/zinc/04/41/55/1000044155.db2.gz AMXXKMRCNULHEC-AQNXPRMDSA-N 1 3 360.498 2.551 20 0 FFADHO CN(Cc1cc2ccccc2nc1N1CCOCC1)CC1CC[NH+](C)CC1 ZINC000769331630 1000494990 /nfs/dbraw/zinc/49/49/90/1000494990.db2.gz UXCUQJPWXYRNLD-UHFFFAOYSA-N 1 3 368.525 2.845 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(C)cc1 ZINC001109463985 1000510196 /nfs/dbraw/zinc/51/01/96/1000510196.db2.gz GQGWOOQPRCHMAA-AABGKKOBSA-N 1 3 357.542 2.989 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccc(C)cc1 ZINC001109463985 1000510201 /nfs/dbraw/zinc/51/02/01/1000510201.db2.gz GQGWOOQPRCHMAA-AABGKKOBSA-N 1 3 357.542 2.989 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(C)cc1 ZINC001109463985 1000510206 /nfs/dbraw/zinc/51/02/06/1000510206.db2.gz GQGWOOQPRCHMAA-AABGKKOBSA-N 1 3 357.542 2.989 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(C)cc1 ZINC001109463985 1000510211 /nfs/dbraw/zinc/51/02/11/1000510211.db2.gz GQGWOOQPRCHMAA-AABGKKOBSA-N 1 3 357.542 2.989 20 0 FFADHO CC[C@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2)OC ZINC001109473101 1000531653 /nfs/dbraw/zinc/53/16/53/1000531653.db2.gz VXQHUCFFZQKRIZ-YRXWBPOGSA-N 1 3 365.562 2.786 20 0 FFADHO CC[C@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2)OC ZINC001109473101 1000531661 /nfs/dbraw/zinc/53/16/61/1000531661.db2.gz VXQHUCFFZQKRIZ-YRXWBPOGSA-N 1 3 365.562 2.786 20 0 FFADHO COc1cccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1C ZINC001000701500 1016441643 /nfs/dbraw/zinc/44/16/43/1016441643.db2.gz JTFZZNFGQYWRTE-YLJYHZDGSA-N 1 3 371.525 2.592 20 0 FFADHO COc1cccc(CN2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1C ZINC001000701500 1016441650 /nfs/dbraw/zinc/44/16/50/1016441650.db2.gz JTFZZNFGQYWRTE-YLJYHZDGSA-N 1 3 371.525 2.592 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1)[NH+](C)C ZINC001109688290 1000850922 /nfs/dbraw/zinc/85/09/22/1000850922.db2.gz HCAQGHUGFFCLFQ-YDZRNGNQSA-N 1 3 363.571 2.988 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799162 1001003177 /nfs/dbraw/zinc/00/31/77/1001003177.db2.gz LSAQUHLBQLBEMW-AABGKKOBSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091737276 1001182584 /nfs/dbraw/zinc/18/25/84/1001182584.db2.gz CWPXJWIDDQUODO-GIWBLDEGSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091737276 1001182588 /nfs/dbraw/zinc/18/25/88/1001182588.db2.gz CWPXJWIDDQUODO-GIWBLDEGSA-N 1 3 369.553 2.924 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737701 1001183189 /nfs/dbraw/zinc/18/31/89/1001183189.db2.gz HTDAEIPKNLYHJA-QRAGQQBUSA-N 1 3 367.537 2.820 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737701 1001183197 /nfs/dbraw/zinc/18/31/97/1001183197.db2.gz HTDAEIPKNLYHJA-QRAGQQBUSA-N 1 3 367.537 2.820 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091737697 1001183468 /nfs/dbraw/zinc/18/34/68/1001183468.db2.gz HSERLQGATLFDNY-SJBKTWHCSA-N 1 3 355.526 2.616 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091737697 1001183471 /nfs/dbraw/zinc/18/34/71/1001183471.db2.gz HSERLQGATLFDNY-SJBKTWHCSA-N 1 3 355.526 2.616 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC ZINC001109959744 1001202011 /nfs/dbraw/zinc/20/20/11/1001202011.db2.gz ZGKATGSUKPAVMQ-FYQPLNBISA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCC ZINC001109959744 1001202017 /nfs/dbraw/zinc/20/20/17/1001202017.db2.gz ZGKATGSUKPAVMQ-FYQPLNBISA-N 1 3 365.562 2.789 20 0 FFADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001148881955 1001236307 /nfs/dbraw/zinc/23/63/07/1001236307.db2.gz BFAWNIYREFDHOL-SFHVURJKSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CN(C)C(C)C)C3)s1 ZINC001112585700 1001536667 /nfs/dbraw/zinc/53/66/67/1001536667.db2.gz NGJVFADWAVRINJ-LPHOPBHVSA-N 1 3 364.559 2.510 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1CN1CCCCC1 ZINC000788623220 1001836780 /nfs/dbraw/zinc/83/67/80/1001836780.db2.gz KHXKQNLDNPOWQP-FVJLSDCUSA-N 1 3 362.514 2.872 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCc3cccs3)C[C@@]2(C)C1 ZINC001092010610 1002280869 /nfs/dbraw/zinc/28/08/69/1002280869.db2.gz HYGGLQYVCZCIPW-QKLQHJQFSA-N 1 3 361.555 2.555 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCc3cccs3)C[C@@]2(C)C1 ZINC001092010610 1002280875 /nfs/dbraw/zinc/28/08/75/1002280875.db2.gz HYGGLQYVCZCIPW-QKLQHJQFSA-N 1 3 361.555 2.555 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092052249 1002327423 /nfs/dbraw/zinc/32/74/23/1002327423.db2.gz FHUIDGPISPJWOV-KNQAVFIVSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092052249 1002327435 /nfs/dbraw/zinc/32/74/35/1002327435.db2.gz FHUIDGPISPJWOV-KNQAVFIVSA-N 1 3 366.509 2.674 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC001092071385 1002368927 /nfs/dbraw/zinc/36/89/27/1002368927.db2.gz TZJKLVIENZYDIP-CPMLQUNMSA-N 1 3 353.938 2.782 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC001092071385 1002368941 /nfs/dbraw/zinc/36/89/41/1002368941.db2.gz TZJKLVIENZYDIP-CPMLQUNMSA-N 1 3 353.938 2.782 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101467 1002407981 /nfs/dbraw/zinc/40/79/81/1002407981.db2.gz FXPOULYLMVIMHL-DYXWJJEUSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000677899984 1016617465 /nfs/dbraw/zinc/61/74/65/1016617465.db2.gz TXXPWMXPZCKWGY-SFHVURJKSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@H](C(=O)N1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1)N1CCCC1 ZINC001273499441 1002861172 /nfs/dbraw/zinc/86/11/72/1002861172.db2.gz AGNNMWAGQWGPAZ-GOSISDBHSA-N 1 3 358.530 2.704 20 0 FFADHO C[C@H](C(=O)N1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1)N1CCCC1 ZINC001273499441 1002861179 /nfs/dbraw/zinc/86/11/79/1002861179.db2.gz AGNNMWAGQWGPAZ-GOSISDBHSA-N 1 3 358.530 2.704 20 0 FFADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321019 1004703957 /nfs/dbraw/zinc/70/39/57/1004703957.db2.gz CYVRXJGMRFRQAA-JNVNVXKGSA-N 1 3 365.562 2.547 20 0 FFADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321019 1004703964 /nfs/dbraw/zinc/70/39/64/1004703964.db2.gz CYVRXJGMRFRQAA-JNVNVXKGSA-N 1 3 365.562 2.547 20 0 FFADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC2(C1)CN(C1CCCC1)C2 ZINC001273859119 1005131320 /nfs/dbraw/zinc/13/13/20/1005131320.db2.gz UWUQOYIUXXDBAB-LJQANCHMSA-N 1 3 353.510 2.595 20 0 FFADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC2(C1)CN(C1CCCC1)C2 ZINC001273859119 1005131323 /nfs/dbraw/zinc/13/13/23/1005131323.db2.gz UWUQOYIUXXDBAB-LJQANCHMSA-N 1 3 353.510 2.595 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1)C1CCC1 ZINC001488916363 1005376844 /nfs/dbraw/zinc/37/68/44/1005376844.db2.gz RMDZJEGHQKLSPA-WMLDXEAASA-N 1 3 365.468 2.824 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(C)C)n2)C1)N(C)C ZINC001488960316 1005380004 /nfs/dbraw/zinc/38/00/04/1005380004.db2.gz HSEXVNBACJMYCR-QKLQHJQFSA-N 1 3 360.546 2.920 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCc1cccs1 ZINC001489056353 1005400533 /nfs/dbraw/zinc/40/05/33/1005400533.db2.gz SXTLDSBVZBIFRS-SJORKVTESA-N 1 3 351.560 2.849 20 0 FFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C[C@H]1CCOC1)CC2 ZINC001202486036 1005996663 /nfs/dbraw/zinc/99/66/63/1005996663.db2.gz BPXBGGBSYMSDGL-IAGOWNOFSA-N 1 3 350.528 2.840 20 0 FFADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CCc4c(ccc(=O)n4CCN4CCCC4)C3)C[C@@H]21 ZINC001170715864 1006079622 /nfs/dbraw/zinc/07/96/22/1006079622.db2.gz MBQSXACRGXGERZ-WTGUMLROSA-N 1 3 369.553 2.826 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC(C)(C)CO3)CC2)CC1 ZINC000881511948 1006128205 /nfs/dbraw/zinc/12/82/05/1006128205.db2.gz NBEHKDVRFPJXTR-IBGZPJMESA-N 1 3 365.562 2.504 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110661259 1006300668 /nfs/dbraw/zinc/30/06/68/1006300668.db2.gz OLISCMHTUPHBFD-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110661259 1006300678 /nfs/dbraw/zinc/30/06/78/1006300678.db2.gz OLISCMHTUPHBFD-YSTOQKLRSA-N 1 3 363.546 2.542 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC(C)([NH+]4CCC4)CC3)cc2)CC1 ZINC000882507627 1006416709 /nfs/dbraw/zinc/41/67/09/1006416709.db2.gz PRSCTUPOVLPEMW-UHFFFAOYSA-N 1 3 370.541 2.529 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883426823 1006788034 /nfs/dbraw/zinc/78/80/34/1006788034.db2.gz AQDHFMVQWAZCQM-ZCNNSNEGSA-N 1 3 359.514 2.616 20 0 FFADHO C[NH2+]CCOc1ccccc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000884200780 1007311340 /nfs/dbraw/zinc/31/13/40/1007311340.db2.gz JVLAIJXTLDLKAY-PKOBYXMFSA-N 1 3 367.493 2.850 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCc3cn(C(C)C)nc32)CC[NH2+]CC1 ZINC000817925469 1007813199 /nfs/dbraw/zinc/81/31/99/1007813199.db2.gz WZHXCZHIOLCYDE-RDJZCZTQSA-N 1 3 362.518 2.752 20 0 FFADHO CCc1ccc([C@@H](CN2CCOCC2)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000817949973 1007821896 /nfs/dbraw/zinc/82/18/96/1007821896.db2.gz VDJBGILYMGJCBV-HSZRJFAPSA-N 1 3 367.537 2.913 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC000856591919 1007902790 /nfs/dbraw/zinc/90/27/90/1007902790.db2.gz RGDNGWKZDWRSIP-PZJWPPBQSA-N 1 3 360.546 2.861 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CCN(CC[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC000856591919 1007902801 /nfs/dbraw/zinc/90/28/01/1007902801.db2.gz RGDNGWKZDWRSIP-PZJWPPBQSA-N 1 3 360.546 2.861 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CCN(CC[NH+]3CCCCC3)C2)ccn1 ZINC000856600839 1007909479 /nfs/dbraw/zinc/90/94/79/1007909479.db2.gz XIEDWPNVZJEQDG-OAQYLSRUSA-N 1 3 360.546 2.861 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCn3ccnc3)C2)ccn1 ZINC000856603293 1007910470 /nfs/dbraw/zinc/91/04/70/1007910470.db2.gz GMUYSDFCJWVJJC-HXUWFJFHSA-N 1 3 357.502 2.662 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCn3ccnc3)C2)ccn1 ZINC000856603293 1007910477 /nfs/dbraw/zinc/91/04/77/1007910477.db2.gz GMUYSDFCJWVJJC-HXUWFJFHSA-N 1 3 357.502 2.662 20 0 FFADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(F)cc1 ZINC000819121885 1008048548 /nfs/dbraw/zinc/04/85/48/1008048548.db2.gz PMANQEBOTHFEOJ-OAQYLSRUSA-N 1 3 358.457 2.606 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(OC)cc1 ZINC001110734337 1008212209 /nfs/dbraw/zinc/21/22/09/1008212209.db2.gz IYDGQJYXUGZNDP-RLLQIKCJSA-N 1 3 373.541 2.690 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(OC)cc1 ZINC001110734337 1008212215 /nfs/dbraw/zinc/21/22/15/1008212215.db2.gz IYDGQJYXUGZNDP-RLLQIKCJSA-N 1 3 373.541 2.690 20 0 FFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001159785648 1008237719 /nfs/dbraw/zinc/23/77/19/1008237719.db2.gz RPPYKJNMAKXADK-SNVBAGLBSA-N 1 3 350.200 2.599 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001110738749 1008243077 /nfs/dbraw/zinc/24/30/77/1008243077.db2.gz RJKGEWCJWFJRAM-FPCVCCKLSA-N 1 3 357.489 2.874 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001110738749 1008243083 /nfs/dbraw/zinc/24/30/83/1008243083.db2.gz RJKGEWCJWFJRAM-FPCVCCKLSA-N 1 3 357.489 2.874 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1(C)C ZINC000858191625 1008320466 /nfs/dbraw/zinc/32/04/66/1008320466.db2.gz BFBXZKMJYWYTGD-JKSUJKDBSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1(C)C ZINC000858191625 1008320471 /nfs/dbraw/zinc/32/04/71/1008320471.db2.gz BFBXZKMJYWYTGD-JKSUJKDBSA-N 1 3 367.534 2.617 20 0 FFADHO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000885992238 1008515477 /nfs/dbraw/zinc/51/54/77/1008515477.db2.gz DBMGHDZBKIUCQT-SFTDATJTSA-N 1 3 373.541 2.950 20 0 FFADHO c1ncn(-c2ccccc2C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)n1 ZINC001177669057 1008698723 /nfs/dbraw/zinc/69/87/23/1008698723.db2.gz OSNHCAAEZQLUJQ-FQEVSTJZSA-N 1 3 361.493 2.922 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cncc(C(=O)OC)c2)[C@H](C)C1 ZINC000886528770 1008722005 /nfs/dbraw/zinc/72/20/05/1008722005.db2.gz QREGHHFXGYYDKO-GJYPPUQNSA-N 1 3 363.502 2.656 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886606929 1008769520 /nfs/dbraw/zinc/76/95/20/1008769520.db2.gz INWHBZQJDMDLPO-UQVNRYHBSA-N 1 3 360.542 2.787 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886606929 1008769536 /nfs/dbraw/zinc/76/95/36/1008769536.db2.gz INWHBZQJDMDLPO-UQVNRYHBSA-N 1 3 360.542 2.787 20 0 FFADHO CC(C)(C)[C@H](O)C[C@@H](CO)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886606929 1008769549 /nfs/dbraw/zinc/76/95/49/1008769549.db2.gz INWHBZQJDMDLPO-UQVNRYHBSA-N 1 3 360.542 2.787 20 0 FFADHO O=C1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CN1C1CC1 ZINC000886633051 1008784944 /nfs/dbraw/zinc/78/49/44/1008784944.db2.gz MAMSVTRIOWPCFC-IWFBPKFRSA-N 1 3 353.510 2.640 20 0 FFADHO Cc1nc(C2CC[NH+]([C@H](C)C(=O)NC(=O)Nc3ccccc3)CC2)[nH]c1C ZINC000886670518 1008807098 /nfs/dbraw/zinc/80/70/98/1008807098.db2.gz QRNPKZOFRVFMBE-OAHLLOKOSA-N 1 3 369.469 2.943 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CC2(O)CCCCC2)CC1 ZINC000887036731 1008988949 /nfs/dbraw/zinc/98/89/49/1008988949.db2.gz MVMFJEUVUHFECW-IBGZPJMESA-N 1 3 365.562 2.527 20 0 FFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000887134261 1009044755 /nfs/dbraw/zinc/04/47/55/1009044755.db2.gz GLOVZJFYZZKLBP-MSOLQXFVSA-N 1 3 358.530 2.877 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C ZINC001093024586 1009637555 /nfs/dbraw/zinc/63/75/55/1009637555.db2.gz AHWYCRBYQPFBGA-OAGGEKHMSA-N 1 3 363.468 2.886 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC001093024586 1009637559 /nfs/dbraw/zinc/63/75/59/1009637559.db2.gz AHWYCRBYQPFBGA-OAGGEKHMSA-N 1 3 363.468 2.886 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCCC1 ZINC001180583356 1009760343 /nfs/dbraw/zinc/76/03/43/1009760343.db2.gz PGXGGGFDAHYLHV-HLAWJBBLSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCCC1 ZINC001180583356 1009760356 /nfs/dbraw/zinc/76/03/56/1009760356.db2.gz PGXGGGFDAHYLHV-HLAWJBBLSA-N 1 3 355.526 2.841 20 0 FFADHO Cc1ncoc1C[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222853 1010163972 /nfs/dbraw/zinc/16/39/72/1010163972.db2.gz QBIQVMAFQWPSGB-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO Cc1ncoc1C[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222853 1010163983 /nfs/dbraw/zinc/16/39/83/1010163983.db2.gz QBIQVMAFQWPSGB-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@H](C)C2)on1 ZINC001093225591 1010170637 /nfs/dbraw/zinc/17/06/37/1010170637.db2.gz PCFGZVRAVPFPDK-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+][C@H]1CCc2ccccc21 ZINC001093287607 1010220433 /nfs/dbraw/zinc/22/04/33/1010220433.db2.gz LLYYDHJKCLPXAN-MDYRTPRTSA-N 1 3 352.482 2.714 20 0 FFADHO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCCN(C)[C@@H]3C2)C1 ZINC001182319523 1010491111 /nfs/dbraw/zinc/49/11/11/1010491111.db2.gz UHDRJOPCOGCCLW-QHAWAJNXSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCCN(C)[C@@H]3C2)C1 ZINC001182319523 1010491117 /nfs/dbraw/zinc/49/11/17/1010491117.db2.gz UHDRJOPCOGCCLW-QHAWAJNXSA-N 1 3 355.526 2.760 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2F)[C@H](C)C1)N(C)C ZINC001093839425 1010609231 /nfs/dbraw/zinc/60/92/31/1010609231.db2.gz NYKIXTSWZKJUJG-OGWOLHLISA-N 1 3 367.484 2.735 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)sc2C)[C@H](C)C1)N(C)C ZINC001093858694 1010633458 /nfs/dbraw/zinc/63/34/58/1010633458.db2.gz HZGKURJLDQFLBC-FSPWUOQZSA-N 1 3 351.560 2.889 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1)N(C)C ZINC001093857749 1010633596 /nfs/dbraw/zinc/63/35/96/1010633596.db2.gz VWNPMCKPSBHELK-BHIYHBOVSA-N 1 3 361.530 2.528 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(Cl)c2)[C@H](C)C1)N(C)C ZINC001094020933 1010787110 /nfs/dbraw/zinc/78/71/10/1010787110.db2.gz OVOYERIOWULFHY-QGPMSJSTSA-N 1 3 366.937 2.505 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(Cl)cc3)[C@H](C)C2)C1 ZINC001094042244 1010805496 /nfs/dbraw/zinc/80/54/96/1010805496.db2.gz PIVAFBVBBXZVEX-LZLYRXPVSA-N 1 3 363.933 2.866 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3ncccc3c2)[C@H](C)C1)N(C)C ZINC001094049503 1010808100 /nfs/dbraw/zinc/80/81/00/1010808100.db2.gz XBJDGFXBXDUJDM-BSIFCXSSSA-N 1 3 368.525 2.759 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1)N(C)C ZINC001094049510 1010808595 /nfs/dbraw/zinc/80/85/95/1010808595.db2.gz XQAFMMFNCMSGPL-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001094075188 1010834279 /nfs/dbraw/zinc/83/42/79/1010834279.db2.gz ZWWNEHJWMOCNQQ-CZUORRHYSA-N 1 3 362.424 2.774 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001094088852 1010849759 /nfs/dbraw/zinc/84/97/59/1010849759.db2.gz RXUKNLYMCCRZGR-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001094088852 1010849763 /nfs/dbraw/zinc/84/97/63/1010849763.db2.gz RXUKNLYMCCRZGR-JFIYKMOQSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110153962 1010878510 /nfs/dbraw/zinc/87/85/10/1010878510.db2.gz UVRJZFKRKNKZHH-HOJAQTOUSA-N 1 3 359.514 2.508 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)s2)[C@H](C)C1 ZINC001094241648 1010984708 /nfs/dbraw/zinc/98/47/08/1010984708.db2.gz UEYYJHRGDXZQTA-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C)on1 ZINC001094241656 1010984789 /nfs/dbraw/zinc/98/47/89/1010984789.db2.gz UKAIHTGXNRVCOV-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC001094241567 1010984976 /nfs/dbraw/zinc/98/49/76/1010984976.db2.gz OZKLMTHAVCEDJL-DJIMGWMZSA-N 1 3 357.489 2.590 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3CC(c4ccc(F)cc4)C3)CC2)CC1 ZINC000644792633 1011219132 /nfs/dbraw/zinc/21/91/32/1011219132.db2.gz IWKAGANOFBPTGZ-UHFFFAOYSA-N 1 3 373.516 2.994 20 0 FFADHO COC(=O)C1(Nc2nccc3c2CCN3)CC[NH+](Cc2ccccc2)CC1 ZINC001171503568 1011359843 /nfs/dbraw/zinc/35/98/43/1011359843.db2.gz KDRZTFPFCCHUSJ-UHFFFAOYSA-N 1 3 366.465 2.669 20 0 FFADHO CC(C)[C@H]1N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CC=CC2 ZINC000645229054 1011392964 /nfs/dbraw/zinc/39/29/64/1011392964.db2.gz HNWUAFYUXFNLQM-HXUWFJFHSA-N 1 3 374.573 2.931 20 0 FFADHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)c3ccncc3)CC2)CC1(C)C ZINC001171641370 1011423633 /nfs/dbraw/zinc/42/36/33/1011423633.db2.gz QSMNIUZOTYNZHS-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)c3ccncc3)CC2)CC1(C)C ZINC001171641370 1011423638 /nfs/dbraw/zinc/42/36/38/1011423638.db2.gz QSMNIUZOTYNZHS-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171776376 1011466960 /nfs/dbraw/zinc/46/69/60/1011466960.db2.gz VAZUHYFFKFLEPU-HXUWFJFHSA-N 1 3 353.485 2.830 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645483220 1011498685 /nfs/dbraw/zinc/49/86/85/1011498685.db2.gz PAOMSUBTGSBRGR-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645483220 1011498693 /nfs/dbraw/zinc/49/86/93/1011498693.db2.gz PAOMSUBTGSBRGR-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CC1(C)C[C@H]([NH2+]C2CN(c3cnccn3)C2)CCN1Cc1ccccc1 ZINC001171974108 1011573443 /nfs/dbraw/zinc/57/34/43/1011573443.db2.gz AHDVZTFWVYKSOB-GOSISDBHSA-N 1 3 351.498 2.698 20 0 FFADHO C[C@]1(CO)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1O ZINC001172069251 1011628909 /nfs/dbraw/zinc/62/89/09/1011628909.db2.gz OJCXCVOYHMUTIL-PVIWCNJMSA-N 1 3 358.526 2.637 20 0 FFADHO C[C@]1(CO)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1O ZINC001172069251 1011628920 /nfs/dbraw/zinc/62/89/20/1011628920.db2.gz OJCXCVOYHMUTIL-PVIWCNJMSA-N 1 3 358.526 2.637 20 0 FFADHO O=C1CC[C@@H]2C[C@@H](N3CCC([N@@H+]4CCc5ccccc5C4)CC3)CCN12 ZINC001172178319 1011683763 /nfs/dbraw/zinc/68/37/63/1011683763.db2.gz DUYNNGGFQLIDLX-LEWJYISDSA-N 1 3 353.510 2.663 20 0 FFADHO O=C1CC[C@@H]2C[C@@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)CCN12 ZINC001172178319 1011683773 /nfs/dbraw/zinc/68/37/73/1011683773.db2.gz DUYNNGGFQLIDLX-LEWJYISDSA-N 1 3 353.510 2.663 20 0 FFADHO O=C1CC[C@H]2C[C@@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)CCN12 ZINC001172179538 1011686467 /nfs/dbraw/zinc/68/64/67/1011686467.db2.gz MROZWHSFYFTBMV-PMACEKPBSA-N 1 3 353.510 2.738 20 0 FFADHO COCCC[NH+]1CCC(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001172244814 1011717193 /nfs/dbraw/zinc/71/71/93/1011717193.db2.gz ZSRZTBRHOQZHFC-SFHVURJKSA-N 1 3 369.550 2.867 20 0 FFADHO COCCC[NH+]1CCC(NC2(c3cccc(F)c3)CCOCC2)CC1 ZINC001172248412 1011719814 /nfs/dbraw/zinc/71/98/14/1011719814.db2.gz GRFTXLGSNVQIOB-UHFFFAOYSA-N 1 3 350.478 2.922 20 0 FFADHO COCCC[NH+]1CCC(N(Cc2ccccc2)[C@H](C)CC(=O)OC)CC1 ZINC001172253997 1011725841 /nfs/dbraw/zinc/72/58/41/1011725841.db2.gz GGDHMZDPVWFSIS-GOSISDBHSA-N 1 3 362.514 2.941 20 0 FFADHO CC[NH+](CC)CCC(=O)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001275053757 1011861134 /nfs/dbraw/zinc/86/11/34/1011861134.db2.gz OAIDJDVXLFJRJV-NRFANRHFSA-N 1 3 360.546 2.951 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001172620664 1011926207 /nfs/dbraw/zinc/92/62/07/1011926207.db2.gz YZLXMKRKJPGZDV-FUMNGEBKSA-N 1 3 364.530 2.541 20 0 FFADHO COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001172620664 1011926216 /nfs/dbraw/zinc/92/62/16/1011926216.db2.gz YZLXMKRKJPGZDV-FUMNGEBKSA-N 1 3 364.530 2.541 20 0 FFADHO CSCCC[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001275104178 1011939158 /nfs/dbraw/zinc/93/91/58/1011939158.db2.gz UGCXHZWBPFFAIC-UHFFFAOYSA-N 1 3 361.555 2.682 20 0 FFADHO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172757379 1011996493 /nfs/dbraw/zinc/99/64/93/1011996493.db2.gz WYZTVYICAZIFHX-SFHVURJKSA-N 1 3 361.530 2.644 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCC[C@@H](C(=O)OC)CC2)CC1 ZINC001172796325 1012011374 /nfs/dbraw/zinc/01/13/74/1012011374.db2.gz MSXGGKXPBAUVNQ-LMMKCTJWSA-N 1 3 352.519 2.684 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCC[C@@H](C(=O)OC)CC2)CC1 ZINC001172796325 1012011382 /nfs/dbraw/zinc/01/13/82/1012011382.db2.gz MSXGGKXPBAUVNQ-LMMKCTJWSA-N 1 3 352.519 2.684 20 0 FFADHO CC[NH+](CC)C1CCC(n2nc(C(=O)NC3CCC3)c3c2CCNC3)CC1 ZINC001173110232 1012258411 /nfs/dbraw/zinc/25/84/11/1012258411.db2.gz IOWDAOSCIBWAGV-UHFFFAOYSA-N 1 3 373.545 2.637 20 0 FFADHO CNC(=O)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647351253 1012448294 /nfs/dbraw/zinc/44/82/94/1012448294.db2.gz RNYIPKMTDFNUMV-QRTARXTBSA-N 1 3 371.447 2.682 20 0 FFADHO CNC(=O)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647351253 1012448304 /nfs/dbraw/zinc/44/83/04/1012448304.db2.gz RNYIPKMTDFNUMV-QRTARXTBSA-N 1 3 371.447 2.682 20 0 FFADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173370230 1012513585 /nfs/dbraw/zinc/51/35/85/1012513585.db2.gz BAVCCHVSGYKCDO-WCVJEAGWSA-N 1 3 370.534 2.639 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000647509977 1012520928 /nfs/dbraw/zinc/52/09/28/1012520928.db2.gz RRKXODQQZOGWDQ-NVXWUHKLSA-N 1 3 372.538 2.816 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000647833954 1012605035 /nfs/dbraw/zinc/60/50/35/1012605035.db2.gz USFFOYHVBOQDGO-WAOWUJCRSA-N 1 3 357.542 2.881 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977708 1012654578 /nfs/dbraw/zinc/65/45/78/1012654578.db2.gz GODYYVIBLAUUJA-OTWHNJEPSA-N 1 3 373.541 2.926 20 0 FFADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978805 1012655214 /nfs/dbraw/zinc/65/52/14/1012655214.db2.gz YKGKZFXFNOZUDK-UXHICEINSA-N 1 3 373.541 2.592 20 0 FFADHO CCC[NH+](CCC)CCN1CCN([C@@H]2CC[C@@H](CC(=O)OCC)C2)CC1 ZINC001173659719 1012847486 /nfs/dbraw/zinc/84/74/86/1012847486.db2.gz YKQUTTFOHANZRG-WOJBJXKFSA-N 1 3 367.578 2.848 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCc3cccc(Cl)c3)C2)C1=O ZINC001275760942 1012970025 /nfs/dbraw/zinc/97/00/25/1012970025.db2.gz IACCYYQNJLRFIX-FQEVSTJZSA-N 1 3 363.933 2.759 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCc3cccc(Cl)c3)C2)C1=O ZINC001275760942 1012970036 /nfs/dbraw/zinc/97/00/36/1012970036.db2.gz IACCYYQNJLRFIX-FQEVSTJZSA-N 1 3 363.933 2.759 20 0 FFADHO Cc1ccc(CCC[N@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)o1 ZINC001275821320 1013040112 /nfs/dbraw/zinc/04/01/12/1013040112.db2.gz DHUODTWFXMOLQG-OAQYLSRUSA-N 1 3 361.530 2.787 20 0 FFADHO Cc1ccc(CCC[N@@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)o1 ZINC001275821320 1013040130 /nfs/dbraw/zinc/04/01/30/1013040130.db2.gz DHUODTWFXMOLQG-OAQYLSRUSA-N 1 3 361.530 2.787 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001097220338 1017210226 /nfs/dbraw/zinc/21/02/26/1017210226.db2.gz OTJHERQLDCRTLH-CUDHKJQZSA-N 1 3 363.546 2.540 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001097220338 1017210234 /nfs/dbraw/zinc/21/02/34/1017210234.db2.gz OTJHERQLDCRTLH-CUDHKJQZSA-N 1 3 363.546 2.540 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000679721180 1017593229 /nfs/dbraw/zinc/59/32/29/1017593229.db2.gz JILSEAVGQZJZRF-MLNNCEHLSA-N 1 3 358.526 2.930 20 0 FFADHO O=C1C[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CN1Cc1ccccc1 ZINC000925629433 1017803397 /nfs/dbraw/zinc/80/33/97/1017803397.db2.gz LZNXHVFPOAUGHI-GIVPXCGWSA-N 1 3 355.526 2.793 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680269535 1017888025 /nfs/dbraw/zinc/88/80/25/1017888025.db2.gz LNYUNFVKJTXVEU-DOIPELPJSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680269535 1017888042 /nfs/dbraw/zinc/88/80/42/1017888042.db2.gz LNYUNFVKJTXVEU-DOIPELPJSA-N 1 3 357.542 2.990 20 0 FFADHO O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000749115542 1018181660 /nfs/dbraw/zinc/18/16/60/1018181660.db2.gz YRTQAWIUCYOGQG-FUHWJXTLSA-N 1 3 374.460 2.512 20 0 FFADHO O[C@H](CN1CCCC1)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000749115542 1018181669 /nfs/dbraw/zinc/18/16/69/1018181669.db2.gz YRTQAWIUCYOGQG-FUHWJXTLSA-N 1 3 374.460 2.512 20 0 FFADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1 ZINC000926628830 1018187476 /nfs/dbraw/zinc/18/74/76/1018187476.db2.gz ZOMBHIAGOUSGCJ-RXVVDRJESA-N 1 3 358.530 2.701 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000749127410 1018331300 /nfs/dbraw/zinc/33/13/00/1018331300.db2.gz OAFQJDCDUBNXHK-WMZOPIPTSA-N 1 3 374.460 2.512 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000749127410 1018331313 /nfs/dbraw/zinc/33/13/13/1018331313.db2.gz OAFQJDCDUBNXHK-WMZOPIPTSA-N 1 3 374.460 2.512 20 0 FFADHO C[N@H+](C[C@@H]1OCCc2ccccc21)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711993 1018573353 /nfs/dbraw/zinc/57/33/53/1018573353.db2.gz WSAPALWXJCSUIH-GOTSBHOMSA-N 1 3 366.505 2.869 20 0 FFADHO C[N@@H+](C[C@@H]1OCCc2ccccc21)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711993 1018573359 /nfs/dbraw/zinc/57/33/59/1018573359.db2.gz WSAPALWXJCSUIH-GOTSBHOMSA-N 1 3 366.505 2.869 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cccc4c3ccn4C)C[C@@H]1C[NH2+]CCC2 ZINC001222130343 1032775451 /nfs/dbraw/zinc/77/54/51/1032775451.db2.gz COZSNKHHBHOUGA-UWJYYQICSA-N 1 3 355.482 2.543 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](Cc3cccc4c3ccn4C)C[C@@H]1CNCCC2 ZINC001222130343 1032775467 /nfs/dbraw/zinc/77/54/67/1032775467.db2.gz COZSNKHHBHOUGA-UWJYYQICSA-N 1 3 355.482 2.543 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc4c3ccn4C)C[C@@H]1CNCCC2 ZINC001222130343 1032775482 /nfs/dbraw/zinc/77/54/82/1032775482.db2.gz COZSNKHHBHOUGA-UWJYYQICSA-N 1 3 355.482 2.543 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CCC[N@H+](C)C3)c(C)c2)CC1 ZINC000929322087 1019366958 /nfs/dbraw/zinc/36/69/58/1019366958.db2.gz PUOPXOULWCANHE-IBGZPJMESA-N 1 3 373.545 2.695 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CCC[N@@H+](C)C3)c(C)c2)CC1 ZINC000929322087 1019366975 /nfs/dbraw/zinc/36/69/75/1019366975.db2.gz PUOPXOULWCANHE-IBGZPJMESA-N 1 3 373.545 2.695 20 0 FFADHO CCC[NH+]1CCC(NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC000690614937 1019488988 /nfs/dbraw/zinc/48/89/88/1019488988.db2.gz AVUOMTRIPJFTCM-KRWDZBQOSA-N 1 3 367.534 2.619 20 0 FFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015500 1019900861 /nfs/dbraw/zinc/90/08/61/1019900861.db2.gz IQYQUXOBBGNSNL-NHAYFPRASA-N 1 3 353.526 2.967 20 0 FFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015500 1019900863 /nfs/dbraw/zinc/90/08/63/1019900863.db2.gz IQYQUXOBBGNSNL-NHAYFPRASA-N 1 3 353.526 2.967 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(CO[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)O1 ZINC001217809266 1032878074 /nfs/dbraw/zinc/87/80/74/1032878074.db2.gz RMWNITLLJGBUMC-HIUFNZKISA-N 1 3 374.525 2.592 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1 ZINC001096351069 1020193168 /nfs/dbraw/zinc/19/31/68/1020193168.db2.gz ZTVHCESEJXGTJT-WOZUAGRISA-N 1 3 355.526 2.812 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001096351069 1020193174 /nfs/dbraw/zinc/19/31/74/1020193174.db2.gz ZTVHCESEJXGTJT-WOZUAGRISA-N 1 3 355.526 2.812 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2csc(C)c2)C3)CC[N@@H+]1C ZINC001072755056 1020304318 /nfs/dbraw/zinc/30/43/18/1020304318.db2.gz QPDNEHPXIQTOHW-ZWKOTPCHSA-N 1 3 361.555 2.821 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(Cc2csc(C)c2)C3)CC[N@H+]1C ZINC001072755056 1020304327 /nfs/dbraw/zinc/30/43/27/1020304327.db2.gz QPDNEHPXIQTOHW-ZWKOTPCHSA-N 1 3 361.555 2.821 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C)[NH+](CC)CC ZINC001111017910 1020604464 /nfs/dbraw/zinc/60/44/64/1020604464.db2.gz GKULFXBUQPYDOA-YRXWBPOGSA-N 1 3 353.551 2.643 20 0 FFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCN(c2ccccc2)CC1 ZINC000903068342 1020661129 /nfs/dbraw/zinc/66/11/29/1020661129.db2.gz CDYXGOIIOJEJFE-IZZOUOQSSA-N 1 3 368.569 2.945 20 0 FFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCN(c2ccccc2)CC1 ZINC000903068342 1020661133 /nfs/dbraw/zinc/66/11/33/1020661133.db2.gz CDYXGOIIOJEJFE-IZZOUOQSSA-N 1 3 368.569 2.945 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903119964 1020687836 /nfs/dbraw/zinc/68/78/36/1020687836.db2.gz LPHOEHAVWUUUCB-ZACQAIPSSA-N 1 3 369.550 2.911 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001111023476 1020693210 /nfs/dbraw/zinc/69/32/10/1020693210.db2.gz LVXAHHKHOWFKDA-NJYVYQBISA-N 1 3 373.541 2.552 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901004980 1020779713 /nfs/dbraw/zinc/77/97/13/1020779713.db2.gz YSFZMSRAXDKEMT-RTWAWAEBSA-N 1 3 371.525 2.846 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901004980 1020779724 /nfs/dbraw/zinc/77/97/24/1020779724.db2.gz YSFZMSRAXDKEMT-RTWAWAEBSA-N 1 3 371.525 2.846 20 0 FFADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000903399532 1020822786 /nfs/dbraw/zinc/82/27/86/1020822786.db2.gz NQDMLWMCYKWPNK-KQQLKSJTSA-N 1 3 368.443 2.941 20 0 FFADHO CC[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2)OC ZINC001098460825 1020927322 /nfs/dbraw/zinc/92/73/22/1020927322.db2.gz KFTWMSIIOHYIIM-LFGUQSLTSA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2)OC ZINC001098460825 1020927331 /nfs/dbraw/zinc/92/73/31/1020927331.db2.gz KFTWMSIIOHYIIM-LFGUQSLTSA-N 1 3 359.514 2.508 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001099122615 1021864420 /nfs/dbraw/zinc/86/44/20/1021864420.db2.gz CHCRWVNAAJKIQJ-PXNSSMCTSA-N 1 3 359.539 2.623 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001099312801 1022275258 /nfs/dbraw/zinc/27/52/58/1022275258.db2.gz HWTQOSXKYYJGNX-HUUCEWRRSA-N 1 3 370.419 2.511 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001099345467 1022336665 /nfs/dbraw/zinc/33/66/65/1022336665.db2.gz BERQRFLXBBKAIE-OAGGEKHMSA-N 1 3 361.452 2.640 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099345842 1022339553 /nfs/dbraw/zinc/33/95/53/1022339553.db2.gz WQRHZYIZFZEMRU-BZUAXINKSA-N 1 3 361.452 2.640 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001099449646 1022545860 /nfs/dbraw/zinc/54/58/60/1022545860.db2.gz SVDCEKJJFGTVPO-LNLFQRSKSA-N 1 3 371.516 2.836 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cccnc3)C2)C1 ZINC001099496374 1022631891 /nfs/dbraw/zinc/63/18/91/1022631891.db2.gz IJLITLFLOBCFGF-UGKGYDQZSA-N 1 3 370.541 2.532 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119926808 1023163841 /nfs/dbraw/zinc/16/38/41/1023163841.db2.gz DOIATWBRFLUNPL-CEXWTWQISA-N 1 3 352.482 2.678 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119926808 1023163844 /nfs/dbraw/zinc/16/38/44/1023163844.db2.gz DOIATWBRFLUNPL-CEXWTWQISA-N 1 3 352.482 2.678 20 0 FFADHO Cc1cncc(CN2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000948386357 1023248347 /nfs/dbraw/zinc/24/83/47/1023248347.db2.gz VABMECXTBHPNNO-YZGWKJHDSA-N 1 3 358.530 2.543 20 0 FFADHO Cc1cncc(CN2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000948386357 1023248356 /nfs/dbraw/zinc/24/83/56/1023248356.db2.gz VABMECXTBHPNNO-YZGWKJHDSA-N 1 3 358.530 2.543 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C[C@H]2C1 ZINC001120372024 1023317255 /nfs/dbraw/zinc/31/72/55/1023317255.db2.gz XREACHXPZYSFNE-LFGUQSLTSA-N 1 3 372.513 2.542 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)no1 ZINC001120514253 1023346632 /nfs/dbraw/zinc/34/66/32/1023346632.db2.gz QFKLAJXOQSQFFG-HNNXBMFYSA-N 1 3 364.877 2.900 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC001120536579 1023353043 /nfs/dbraw/zinc/35/30/43/1023353043.db2.gz MXEFWSMREFOUAD-HHXXYDBFSA-N 1 3 362.518 2.503 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H](NC[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000754186460 1023436641 /nfs/dbraw/zinc/43/66/41/1023436641.db2.gz PGURPBSUXDZZIA-ROUUACIJSA-N 1 3 369.550 2.506 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCC(C)C ZINC001111308738 1023757873 /nfs/dbraw/zinc/75/78/73/1023757873.db2.gz UMDLGXZVRKFVEY-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCCC(C)C ZINC001111308738 1023757881 /nfs/dbraw/zinc/75/78/81/1023757881.db2.gz UMDLGXZVRKFVEY-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO C[C@H]([NH3+])C1(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CCOCC1 ZINC001122137415 1024373761 /nfs/dbraw/zinc/37/37/61/1024373761.db2.gz PMVBTDHMXBNHTM-LBPRGKRZSA-N 1 3 373.419 2.850 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H](CC)OC)C[C@@]2(C)C1 ZINC001101395904 1024624981 /nfs/dbraw/zinc/62/49/81/1024624981.db2.gz WXUFERDZBNFEDA-DYXWJJEUSA-N 1 3 367.578 2.704 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@@]2(C)C1 ZINC001101395904 1024624989 /nfs/dbraw/zinc/62/49/89/1024624989.db2.gz WXUFERDZBNFEDA-DYXWJJEUSA-N 1 3 367.578 2.704 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCCOCC)C[C@@]2(C)C1 ZINC001101395892 1024625722 /nfs/dbraw/zinc/62/57/22/1024625722.db2.gz WAATXJAFQFMFRB-CTNGQTDRSA-N 1 3 367.578 2.705 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCCOCC)C[C@@]2(C)C1 ZINC001101395892 1024625727 /nfs/dbraw/zinc/62/57/27/1024625727.db2.gz WAATXJAFQFMFRB-CTNGQTDRSA-N 1 3 367.578 2.705 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@]2(C)C1 ZINC001101444075 1024758432 /nfs/dbraw/zinc/75/84/32/1024758432.db2.gz XPZCFVQHMKFIJM-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@@]2(C)C1 ZINC001101444075 1024758445 /nfs/dbraw/zinc/75/84/45/1024758445.db2.gz XPZCFVQHMKFIJM-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101443654 1024759194 /nfs/dbraw/zinc/75/91/94/1024759194.db2.gz NAEPSYDVLAXDHW-LMMKCTJWSA-N 1 3 371.516 2.934 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101443654 1024759201 /nfs/dbraw/zinc/75/92/01/1024759201.db2.gz NAEPSYDVLAXDHW-LMMKCTJWSA-N 1 3 371.516 2.934 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C ZINC001102044979 1025348186 /nfs/dbraw/zinc/34/81/86/1025348186.db2.gz MMEIOEUKTDERFK-QWFCFKBJSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C ZINC001102044979 1025348204 /nfs/dbraw/zinc/34/82/04/1025348204.db2.gz MMEIOEUKTDERFK-QWFCFKBJSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046263 1025350829 /nfs/dbraw/zinc/35/08/29/1025350829.db2.gz UYXNJQFBBRCGDZ-SJLPKXTDSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046263 1025350845 /nfs/dbraw/zinc/35/08/45/1025350845.db2.gz UYXNJQFBBRCGDZ-SJLPKXTDSA-N 1 3 363.571 2.849 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)cc1 ZINC001102070251 1025389103 /nfs/dbraw/zinc/38/91/03/1025389103.db2.gz BOIDUKIMTSZCPA-NRSPTQNISA-N 1 3 359.558 2.808 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)cc1 ZINC001102070251 1025389118 /nfs/dbraw/zinc/38/91/18/1025389118.db2.gz BOIDUKIMTSZCPA-NRSPTQNISA-N 1 3 359.558 2.808 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1C)N(C)C ZINC001102086861 1025412454 /nfs/dbraw/zinc/41/24/54/1025412454.db2.gz BFCANOYQHZGYTN-DJIMGWMZSA-N 1 3 364.534 2.631 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1C)N(C)C ZINC001102086861 1025412459 /nfs/dbraw/zinc/41/24/59/1025412459.db2.gz BFCANOYQHZGYTN-DJIMGWMZSA-N 1 3 364.534 2.631 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288550 1025697971 /nfs/dbraw/zinc/69/79/71/1025697971.db2.gz IZFJCCRZRZPVOU-NVXWUHKLSA-N 1 3 363.933 2.866 20 0 FFADHO CN(C(=O)Cc1cccc2c1CC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000638271862 1025758294 /nfs/dbraw/zinc/75/82/94/1025758294.db2.gz FAWWUYBTUPMVTJ-NRFANRHFSA-N 1 3 363.505 2.608 20 0 FFADHO Cc1ncsc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375297 1025842444 /nfs/dbraw/zinc/84/24/44/1025842444.db2.gz BKYSAKYIYAMDQD-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO Cc1ncsc1C[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375297 1025842446 /nfs/dbraw/zinc/84/24/46/1025842446.db2.gz BKYSAKYIYAMDQD-GDBMZVCRSA-N 1 3 366.575 2.614 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@H]1C)N(C)C ZINC001102381926 1025857741 /nfs/dbraw/zinc/85/77/41/1025857741.db2.gz HZSGYROGVFVRLO-XWIAVFTESA-N 1 3 351.560 2.889 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1C)N(C)C ZINC001102381926 1025857764 /nfs/dbraw/zinc/85/77/64/1025857764.db2.gz HZSGYROGVFVRLO-XWIAVFTESA-N 1 3 351.560 2.889 20 0 FFADHO CC(C)COCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428829 1025960418 /nfs/dbraw/zinc/96/04/18/1025960418.db2.gz UYOVYAZDJWFXIG-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)COCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428829 1025960426 /nfs/dbraw/zinc/96/04/26/1025960426.db2.gz UYOVYAZDJWFXIG-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430548 1025963330 /nfs/dbraw/zinc/96/33/30/1025963330.db2.gz WHPJTLBTAYHKFE-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430548 1025963339 /nfs/dbraw/zinc/96/33/39/1025963339.db2.gz WHPJTLBTAYHKFE-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638854107 1026050738 /nfs/dbraw/zinc/05/07/38/1026050738.db2.gz PAUKYXYKIVHQRL-JTHBVZDNSA-N 1 3 370.585 2.972 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCc2ccc(C)cc2)C[C@H]1C ZINC001102475613 1026055396 /nfs/dbraw/zinc/05/53/96/1026055396.db2.gz WLXNVXLAOJTZIY-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccc(C)cc2)C[C@H]1C ZINC001102475613 1026055409 /nfs/dbraw/zinc/05/54/09/1026055409.db2.gz WLXNVXLAOJTZIY-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2sccc2Cl)C[C@H]1C ZINC001102495899 1026128553 /nfs/dbraw/zinc/12/85/53/1026128553.db2.gz SRSNVKHVSXSGKY-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2sccc2Cl)C[C@H]1C ZINC001102495899 1026128565 /nfs/dbraw/zinc/12/85/65/1026128565.db2.gz SRSNVKHVSXSGKY-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102531920 1026243601 /nfs/dbraw/zinc/24/36/01/1026243601.db2.gz LTHYQNUJXKUPCH-VNQPRFMTSA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102531920 1026243615 /nfs/dbraw/zinc/24/36/15/1026243615.db2.gz LTHYQNUJXKUPCH-VNQPRFMTSA-N 1 3 368.472 2.770 20 0 FFADHO COc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)cc1C ZINC001102600717 1026401303 /nfs/dbraw/zinc/40/13/03/1026401303.db2.gz SADNSVODRPCZKX-IEBWSBKVSA-N 1 3 361.530 2.528 20 0 FFADHO COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)cc1C ZINC001102600717 1026401307 /nfs/dbraw/zinc/40/13/07/1026401307.db2.gz SADNSVODRPCZKX-IEBWSBKVSA-N 1 3 361.530 2.528 20 0 FFADHO C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000639755847 1026458166 /nfs/dbraw/zinc/45/81/66/1026458166.db2.gz OQVFIKXLFKJVKF-VQIMIIECSA-N 1 3 359.489 2.905 20 0 FFADHO Nc1nnc([C@@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)o1 ZINC000639822828 1026487814 /nfs/dbraw/zinc/48/78/14/1026487814.db2.gz UAGQQSPEEOOVMU-GOSISDBHSA-N 1 3 355.486 3.017 20 0 FFADHO C[C@H]1CN(C[C@H](C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c2ccccc2)C[C@@]1(C)CO ZINC000639864610 1026496950 /nfs/dbraw/zinc/49/69/50/1026496950.db2.gz ZJMPUAVRLWHPQJ-CRAJWZQDSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1CN(C[C@H](C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c2ccccc2)C[C@@]1(C)CO ZINC000639864610 1026496953 /nfs/dbraw/zinc/49/69/53/1026496953.db2.gz ZJMPUAVRLWHPQJ-CRAJWZQDSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1C[N@@H+](C[C@H](CN2C[C@@H](C)[C@@](C)(CO)C2)c2ccccc2)C[C@@]1(C)CO ZINC000639864610 1026496958 /nfs/dbraw/zinc/49/69/58/1026496958.db2.gz ZJMPUAVRLWHPQJ-CRAJWZQDSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1C[N@H+](C[C@H](CN2C[C@@H](C)[C@@](C)(CO)C2)c2ccccc2)C[C@@]1(C)CO ZINC000639864610 1026496961 /nfs/dbraw/zinc/49/69/61/1026496961.db2.gz ZJMPUAVRLWHPQJ-CRAJWZQDSA-N 1 3 374.569 2.671 20 0 FFADHO c1ccc([C@H](CN2CC[C@H]3COC[C@@H]3C2)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000639862417 1026497675 /nfs/dbraw/zinc/49/76/75/1026497675.db2.gz KOPNNEOLRCHALF-NQQQLTFYSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@H](CN2CC[C@H]3COC[C@@H]3C2)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000639862417 1026497678 /nfs/dbraw/zinc/49/76/78/1026497678.db2.gz KOPNNEOLRCHALF-NQQQLTFYSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@@H](CN2CC[C@@H]3COC[C@@H]3C2)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000639862417 1026497682 /nfs/dbraw/zinc/49/76/82/1026497682.db2.gz KOPNNEOLRCHALF-NQQQLTFYSA-N 1 3 370.537 2.707 20 0 FFADHO c1ccc([C@@H](CN2CC[C@@H]3COC[C@@H]3C2)C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000639862417 1026497686 /nfs/dbraw/zinc/49/76/86/1026497686.db2.gz KOPNNEOLRCHALF-NQQQLTFYSA-N 1 3 370.537 2.707 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838768803 1026500176 /nfs/dbraw/zinc/50/01/76/1026500176.db2.gz OFJCDYLTCUSXJC-HXUWFJFHSA-N 1 3 360.546 2.534 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000838768803 1026500179 /nfs/dbraw/zinc/50/01/79/1026500179.db2.gz OFJCDYLTCUSXJC-HXUWFJFHSA-N 1 3 360.546 2.534 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000640552487 1026793411 /nfs/dbraw/zinc/79/34/11/1026793411.db2.gz WHEDXZBZJDHUQI-OAQYLSRUSA-N 1 3 358.530 2.602 20 0 FFADHO CN1CCC(N(c2nncc3cc(Cl)ccc32)C2CC[NH2+]CC2)CC1 ZINC001158581871 1027067704 /nfs/dbraw/zinc/06/77/04/1027067704.db2.gz ZNEMEPIYKLPLMR-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000641819107 1027321222 /nfs/dbraw/zinc/32/12/22/1027321222.db2.gz LLBVXSLXNZUCIK-UHFFFAOYSA-N 1 3 360.502 2.898 20 0 FFADHO CCOc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460317 1027397700 /nfs/dbraw/zinc/39/77/00/1027397700.db2.gz HOQPDTWFQDILLK-UHFFFAOYSA-N 1 3 365.481 2.785 20 0 FFADHO Cc1cccnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407741 1027417418 /nfs/dbraw/zinc/41/74/18/1027417418.db2.gz RFMSEFMCGUUMSM-QWFCFKBJSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1cccnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103407741 1027417408 /nfs/dbraw/zinc/41/74/08/1027417408.db2.gz RFMSEFMCGUUMSM-QWFCFKBJSA-N 1 3 360.546 2.550 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CCCCC1)[C@@H]2C ZINC001159634561 1027450998 /nfs/dbraw/zinc/45/09/98/1027450998.db2.gz ZHTZBIVVDUIPJP-QAPCUYQASA-N 1 3 361.534 2.534 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2C)C1 ZINC001103436342 1027480277 /nfs/dbraw/zinc/48/02/77/1027480277.db2.gz UNMIOBSZTPSBPP-SFHLNBCPSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2C)C1 ZINC001103436342 1027480289 /nfs/dbraw/zinc/48/02/89/1027480289.db2.gz UNMIOBSZTPSBPP-SFHLNBCPSA-N 1 3 357.542 2.645 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439491 1027485476 /nfs/dbraw/zinc/48/54/76/1027485476.db2.gz DPDCPYDCSCDDGP-RTBURBONSA-N 1 3 369.594 2.855 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439491 1027485477 /nfs/dbraw/zinc/48/54/77/1027485477.db2.gz DPDCPYDCSCDDGP-RTBURBONSA-N 1 3 369.594 2.855 20 0 FFADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 ZINC001159764678 1027491928 /nfs/dbraw/zinc/49/19/28/1027491928.db2.gz IPSHCPNZNDXGNE-HXUWFJFHSA-N 1 3 367.493 2.819 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1C)N(C)C ZINC001103444823 1027493666 /nfs/dbraw/zinc/49/36/66/1027493666.db2.gz KZIJUZCRLOWFBF-ZTNFWEORSA-N 1 3 360.546 2.613 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C)N(C)C ZINC001103444823 1027493675 /nfs/dbraw/zinc/49/36/75/1027493675.db2.gz KZIJUZCRLOWFBF-ZTNFWEORSA-N 1 3 360.546 2.613 20 0 FFADHO CCN(CC)Cc1nc2sc(C)c(C)c2c(N[C@H](N)CCC[NH3+])n1 ZINC001159786839 1027497697 /nfs/dbraw/zinc/49/76/97/1027497697.db2.gz LEYBJZPMUAMWGD-ZDUSSCGKSA-N 1 3 350.536 2.586 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001159785317 1027497773 /nfs/dbraw/zinc/49/77/73/1027497773.db2.gz OUKMDPHGKFFVEA-JTQLQIEISA-N 1 3 350.200 2.599 20 0 FFADHO CCOCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495847 1027604819 /nfs/dbraw/zinc/60/48/19/1027604819.db2.gz VUYWSTFRVYLBPF-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCOCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495847 1027604826 /nfs/dbraw/zinc/60/48/26/1027604826.db2.gz VUYWSTFRVYLBPF-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC001160955856 1027944037 /nfs/dbraw/zinc/94/40/37/1027944037.db2.gz IQNLUPALBWXNSF-UXHICEINSA-N 1 3 373.541 2.898 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)[C@@H](C)C1 ZINC001161003486 1027970715 /nfs/dbraw/zinc/97/07/15/1027970715.db2.gz RBNUMXALPYUEEB-IBGZPJMESA-N 1 3 372.557 2.773 20 0 FFADHO CC[N@H+]1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)[C@@H](C)C1 ZINC001161003486 1027970719 /nfs/dbraw/zinc/97/07/19/1027970719.db2.gz RBNUMXALPYUEEB-IBGZPJMESA-N 1 3 372.557 2.773 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643501555 1028025523 /nfs/dbraw/zinc/02/55/23/1028025523.db2.gz KNXNBOIVQOYAAB-IXDOHACOSA-N 1 3 355.482 2.716 20 0 FFADHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001161159200 1028042758 /nfs/dbraw/zinc/04/27/58/1028042758.db2.gz YJTXKIJUHLIGJE-CVEARBPZSA-N 1 3 357.420 2.507 20 0 FFADHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001161159200 1028042778 /nfs/dbraw/zinc/04/27/78/1028042778.db2.gz YJTXKIJUHLIGJE-CVEARBPZSA-N 1 3 357.420 2.507 20 0 FFADHO Cc1cc(F)cc(CN(C(=O)C[C@H]2CCNC[C@H]2F)C2CC[NH2+]CC2)c1 ZINC001161281609 1028112149 /nfs/dbraw/zinc/11/21/49/1028112149.db2.gz JFMZCLNJEHDYCC-VQIMIIECSA-N 1 3 365.468 2.552 20 0 FFADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154025618 1028117914 /nfs/dbraw/zinc/11/79/14/1028117914.db2.gz GLKIIYDMWNXAAB-UHFFFAOYSA-N 1 3 373.497 2.597 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001103754773 1028142220 /nfs/dbraw/zinc/14/22/20/1028142220.db2.gz WVBLSDXOKJTAPY-NVXWUHKLSA-N 1 3 367.484 2.879 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001103754773 1028142229 /nfs/dbraw/zinc/14/22/29/1028142229.db2.gz WVBLSDXOKJTAPY-NVXWUHKLSA-N 1 3 367.484 2.879 20 0 FFADHO Cc1cc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc(C)c1OC(C)C ZINC001161450179 1028182820 /nfs/dbraw/zinc/18/28/20/1028182820.db2.gz CPWUGDRUMZCSQN-IBGZPJMESA-N 1 3 361.530 2.846 20 0 FFADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161453373 1028184728 /nfs/dbraw/zinc/18/47/28/1028184728.db2.gz FNCHTYFKVXZHOJ-CVEARBPZSA-N 1 3 367.415 2.568 20 0 FFADHO O=C([C@H]1CC[C@@H](C(F)(F)F)CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592462 1028244527 /nfs/dbraw/zinc/24/45/27/1028244527.db2.gz SEPANDFZXBSHHD-GDBMZVCRSA-N 1 3 367.415 2.538 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000644569307 1028558794 /nfs/dbraw/zinc/55/87/94/1028558794.db2.gz GXHBTEHYUXTGKX-QGZVFWFLSA-N 1 3 372.513 2.606 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc3ccccc3c2)CCCO1 ZINC000644632252 1028595664 /nfs/dbraw/zinc/59/56/64/1028595664.db2.gz HTLJUTAFHLSTLX-GHTZIAJQSA-N 1 3 372.509 2.670 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc3ccccc3c2)CCCO1 ZINC000644632252 1028595680 /nfs/dbraw/zinc/59/56/80/1028595680.db2.gz HTLJUTAFHLSTLX-GHTZIAJQSA-N 1 3 372.509 2.670 20 0 FFADHO Brc1cccc2nc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH]c21 ZINC001163321851 1028893466 /nfs/dbraw/zinc/89/34/66/1028893466.db2.gz DWBKTPDTAJRVJV-BMIGLBTASA-N 1 3 351.248 2.648 20 0 FFADHO CCOC(=O)c1cc(NCC2(N(C)C)CC[NH+](C)CC2)cc2cc[nH]c21 ZINC001164212752 1029205266 /nfs/dbraw/zinc/20/52/66/1029205266.db2.gz AYERLXKTPNVIMT-UHFFFAOYSA-N 1 3 358.486 2.783 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cc(-c4cccs4)ncn3)CC2)CC1 ZINC001157842785 1029674014 /nfs/dbraw/zinc/67/40/14/1029674014.db2.gz XLZDPUPKMSYUGP-UHFFFAOYSA-N 1 3 357.527 2.669 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3nnc(Cl)c4ccc(Cl)cc43)CC2)C1 ZINC001158270489 1029781152 /nfs/dbraw/zinc/78/11/52/1029781152.db2.gz TYPPFFJZOCKDEE-LBPRGKRZSA-N 1 3 366.296 2.938 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3nnc(Cl)c4ccc(Cl)cc43)CC2)C1 ZINC001158270489 1029781155 /nfs/dbraw/zinc/78/11/55/1029781155.db2.gz TYPPFFJZOCKDEE-LBPRGKRZSA-N 1 3 366.296 2.938 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114481 1030038574 /nfs/dbraw/zinc/03/85/74/1030038574.db2.gz SHQCOWPPGXCRTN-OAGGEKHMSA-N 1 3 363.468 2.886 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001142184443 1030125530 /nfs/dbraw/zinc/12/55/30/1030125530.db2.gz DESVVTRJKWKDPY-UHFFFAOYSA-N 1 3 361.578 2.714 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112166964 1030131763 /nfs/dbraw/zinc/13/17/63/1030131763.db2.gz AXZFGYGMACBIIV-HUUCEWRRSA-N 1 3 365.484 2.989 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@@H+]1CCC[C@@H]1C ZINC000783519050 1030133754 /nfs/dbraw/zinc/13/37/54/1030133754.db2.gz UDPGLPFCCZGMKS-CVEARBPZSA-N 1 3 372.513 2.826 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@H+]1CCC[C@@H]1C ZINC000783519050 1030133760 /nfs/dbraw/zinc/13/37/60/1030133760.db2.gz UDPGLPFCCZGMKS-CVEARBPZSA-N 1 3 372.513 2.826 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841820225 1030486084 /nfs/dbraw/zinc/48/60/84/1030486084.db2.gz LDIUJETZEPDIGZ-FQEVSTJZSA-N 1 3 370.541 2.999 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000841905574 1030531517 /nfs/dbraw/zinc/53/15/17/1030531517.db2.gz FXWFAGOACKCADC-LAUBAEHRSA-N 1 3 366.509 2.650 20 0 FFADHO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699666329 1030707387 /nfs/dbraw/zinc/70/73/87/1030707387.db2.gz RQEWLCXYRGEDCL-HOCLYGCPSA-N 1 3 369.550 2.910 20 0 FFADHO c1cc(CN2CCOCC3(CC[NH+](Cc4ccncc4)CC3)C2)ccn1 ZINC001204082863 1031089859 /nfs/dbraw/zinc/08/98/59/1031089859.db2.gz YMYGCQOHWKROTQ-UHFFFAOYSA-N 1 3 352.482 2.591 20 0 FFADHO COc1cccc2cc(CN3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)oc21 ZINC000843058271 1031167027 /nfs/dbraw/zinc/16/70/27/1031167027.db2.gz QPQZCNDSVFDEEN-YJBOKZPZSA-N 1 3 371.481 2.522 20 0 FFADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000843363649 1031356200 /nfs/dbraw/zinc/35/62/00/1031356200.db2.gz HATYAKRQQJVKAC-INIZCTEOSA-N 1 3 367.415 2.886 20 0 FFADHO CC(C)N1CCN(c2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)cn2)CC1 ZINC001205558496 1031834589 /nfs/dbraw/zinc/83/45/89/1031834589.db2.gz USVAKRMLEFGWQF-UHFFFAOYSA-N 1 3 365.525 2.689 20 0 FFADHO C[C@@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001205645019 1031902744 /nfs/dbraw/zinc/90/27/44/1031902744.db2.gz AUHJNWNBRKNWCI-LYGPFTKASA-N 1 3 355.523 2.523 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@]3(C)CC(C)(C)C[NH2+]3)cc2)CC1 ZINC001218845706 1033372742 /nfs/dbraw/zinc/37/27/42/1033372742.db2.gz IKPSOSYWEZSVTG-NRFANRHFSA-N 1 3 358.530 2.541 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC001218855387 1033379044 /nfs/dbraw/zinc/37/90/44/1033379044.db2.gz JGADKRWSUJIEGE-IBGZPJMESA-N 1 3 374.529 2.604 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC001219052163 1033491031 /nfs/dbraw/zinc/49/10/31/1033491031.db2.gz IVFLGNJBWNMBCW-GFXBWGLESA-N 1 3 371.525 2.630 20 0 FFADHO Cc1cc(F)c(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c(F)c1 ZINC001276906877 1033528460 /nfs/dbraw/zinc/52/84/60/1033528460.db2.gz OBQAGLMVINIUJL-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO CC(=O)Oc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001138038681 1033605440 /nfs/dbraw/zinc/60/54/40/1033605440.db2.gz USKIFZVVTKXXAZ-OAQYLSRUSA-N 1 3 360.498 2.935 20 0 FFADHO CC(=O)Oc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c1 ZINC001138038681 1033605451 /nfs/dbraw/zinc/60/54/51/1033605451.db2.gz USKIFZVVTKXXAZ-OAQYLSRUSA-N 1 3 360.498 2.935 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccccc1C1=NC(C)(C)CO1 ZINC001219386791 1033627110 /nfs/dbraw/zinc/62/71/10/1033627110.db2.gz SGHYQTUFGGPZME-INIZCTEOSA-N 1 3 360.502 2.676 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3scnc3C)[C@H]2C1 ZINC001223962483 1033661902 /nfs/dbraw/zinc/66/19/02/1033661902.db2.gz QOGUCXJLUQYTLH-SJORKVTESA-N 1 3 364.559 2.606 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3scnc3C)[C@H]2C1 ZINC001223962483 1033661906 /nfs/dbraw/zinc/66/19/06/1033661906.db2.gz QOGUCXJLUQYTLH-SJORKVTESA-N 1 3 364.559 2.606 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831417359 1034069116 /nfs/dbraw/zinc/06/91/16/1034069116.db2.gz UFCKKHIKTXWHIO-RTBURBONSA-N 1 3 367.497 2.704 20 0 FFADHO NC(C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1)C(F)(F)F ZINC001220542452 1034247824 /nfs/dbraw/zinc/24/78/24/1034247824.db2.gz VRVDVULYONLTJP-UIEKQHFFSA-N 1 3 355.404 2.531 20 0 FFADHO Cc1cc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c(C)s1 ZINC001138569857 1034423591 /nfs/dbraw/zinc/42/35/91/1034423591.db2.gz OGEUCJZNLKMGFN-UHFFFAOYSA-N 1 3 359.539 2.689 20 0 FFADHO Cc1cc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c(C)s1 ZINC001138569857 1034423599 /nfs/dbraw/zinc/42/35/99/1034423599.db2.gz OGEUCJZNLKMGFN-UHFFFAOYSA-N 1 3 359.539 2.689 20 0 FFADHO Cc1cnsc1C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001277085179 1034461707 /nfs/dbraw/zinc/46/17/07/1034461707.db2.gz HNBJAPQADFDXMC-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1cnsc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001277085179 1034461718 /nfs/dbraw/zinc/46/17/18/1034461718.db2.gz HNBJAPQADFDXMC-FQEVSTJZSA-N 1 3 370.522 2.503 20 0 FFADHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2Cc1cc2cccnc2s1 ZINC001277107584 1034568710 /nfs/dbraw/zinc/56/87/10/1034568710.db2.gz OIANSXYVPXQNBQ-HXUWFJFHSA-N 1 3 372.538 2.815 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)NC1(c2ccc(F)cc2)CCC(F)(F)CC1 ZINC001221217123 1034607902 /nfs/dbraw/zinc/60/79/02/1034607902.db2.gz WXEVKXCDAWDTJM-HNNXBMFYSA-N 1 3 357.420 2.803 20 0 FFADHO OCCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138798443 1034677944 /nfs/dbraw/zinc/67/79/44/1034677944.db2.gz WRELLGMWLZWWDI-SFTDATJTSA-N 1 3 352.478 2.622 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC001226565007 1034738477 /nfs/dbraw/zinc/73/84/77/1034738477.db2.gz SNXSQCBOQVHRFU-RCCFBDPRSA-N 1 3 364.509 2.587 20 0 FFADHO C[NH+]1CCC(C2CCN(Cc3cnc(N4CCOCC4)s3)CC2)CC1 ZINC001139045331 1034906531 /nfs/dbraw/zinc/90/65/31/1034906531.db2.gz JUIBACPLBKHDHX-UHFFFAOYSA-N 1 3 364.559 2.534 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(F)c1)N(C)C ZINC001227038831 1034917448 /nfs/dbraw/zinc/91/74/48/1034917448.db2.gz MXKSGWWXRVQRHM-GUDVDZBRSA-N 1 3 365.493 2.562 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCC(C)C ZINC001227149834 1034951008 /nfs/dbraw/zinc/95/10/08/1034951008.db2.gz FHQWHPXKXSUBAO-QZTJIDSGSA-N 1 3 355.567 2.796 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3ccccc3C3CC3)C[C@H]21 ZINC001221777209 1035061218 /nfs/dbraw/zinc/06/12/18/1035061218.db2.gz XOXFOPSMWVRMQE-TZIWHRDSSA-N 1 3 355.526 2.939 20 0 FFADHO CCC1(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)COC1 ZINC001202936633 1035114891 /nfs/dbraw/zinc/11/48/91/1035114891.db2.gz OUZOWXQPIBADLI-UNMCSNQZSA-N 1 3 362.558 2.874 20 0 FFADHO CCC1(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)COC1 ZINC001202936633 1035114894 /nfs/dbraw/zinc/11/48/94/1035114894.db2.gz OUZOWXQPIBADLI-UNMCSNQZSA-N 1 3 362.558 2.874 20 0 FFADHO OC1CC[NH+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC1 ZINC001139515734 1035144044 /nfs/dbraw/zinc/14/40/44/1035144044.db2.gz WRXCNQXXNNSQTO-UHFFFAOYSA-N 1 3 365.521 2.966 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCOC3CCCCCC3)C[C@H]21 ZINC001221921866 1035157691 /nfs/dbraw/zinc/15/76/91/1035157691.db2.gz NWPYNWBALJMEMJ-UYAOXDASSA-N 1 3 365.562 2.600 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCOC3CCCCCC3)C[C@H]21 ZINC001221921866 1035157696 /nfs/dbraw/zinc/15/76/96/1035157696.db2.gz NWPYNWBALJMEMJ-UYAOXDASSA-N 1 3 365.562 2.600 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1OC1CC1 ZINC001228376993 1036076479 /nfs/dbraw/zinc/07/64/79/1036076479.db2.gz JMQQQOWYQRMNBK-RTBURBONSA-N 1 3 359.514 2.697 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)C1 ZINC001228602791 1036199445 /nfs/dbraw/zinc/19/94/45/1036199445.db2.gz LDLUQAKQSLWVKM-UWZHAXDSSA-N 1 3 359.917 2.968 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1)CC(C)(C)C ZINC001228624457 1036212502 /nfs/dbraw/zinc/21/25/02/1036212502.db2.gz YMUWSNPBSAJXFB-RCCFBDPRSA-N 1 3 353.551 2.550 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1sc(C)nc1C)N(C)C ZINC001228647482 1036229809 /nfs/dbraw/zinc/22/98/09/1036229809.db2.gz UTWFOAHRYQMXCB-OAGGEKHMSA-N 1 3 352.548 2.617 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@H]2C)N(C)C)cc1 ZINC001228953124 1036428513 /nfs/dbraw/zinc/42/85/13/1036428513.db2.gz GJHOHAXVPCQMON-CRAIPNDOSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@H]2C)N(C)C)cc1 ZINC001228953124 1036428527 /nfs/dbraw/zinc/42/85/27/1036428527.db2.gz GJHOHAXVPCQMON-CRAIPNDOSA-N 1 3 364.559 2.795 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)C(C)C ZINC001229195352 1036547273 /nfs/dbraw/zinc/54/72/73/1036547273.db2.gz ZWXNMODOBDNTHO-AQNXPRMDSA-N 1 3 360.546 2.965 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC001229230366 1036563456 /nfs/dbraw/zinc/56/34/56/1036563456.db2.gz GCABZBIRWNBKQZ-RTBURBONSA-N 1 3 367.484 2.866 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC001229231242 1036564991 /nfs/dbraw/zinc/56/49/91/1036564991.db2.gz OKXQTVYYDPGKPU-RTBURBONSA-N 1 3 360.546 2.611 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001230206321 1037149631 /nfs/dbraw/zinc/14/96/31/1037149631.db2.gz HHWKNAXLWNXBAD-YSIASYRMSA-N 1 3 362.562 2.765 20 0 FFADHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)ccc1C ZINC001230284722 1037196348 /nfs/dbraw/zinc/19/63/48/1037196348.db2.gz RWBRTQWNFZDXJO-RTBURBONSA-N 1 3 361.530 2.861 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001207231191 1037265235 /nfs/dbraw/zinc/26/52/35/1037265235.db2.gz GMFHMFHQTSIMNQ-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001207231191 1037265247 /nfs/dbraw/zinc/26/52/47/1037265247.db2.gz GMFHMFHQTSIMNQ-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1ccccc1Br ZINC001207532216 1037523951 /nfs/dbraw/zinc/52/39/51/1037523951.db2.gz PZXWJESRDPUIDF-UHFFFAOYSA-N 1 3 371.319 2.808 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1ccccc1Br ZINC001207532216 1037523957 /nfs/dbraw/zinc/52/39/57/1037523957.db2.gz PZXWJESRDPUIDF-UHFFFAOYSA-N 1 3 371.319 2.808 20 0 FFADHO C[NH+](C)CCOCc1ncn2c1CN(CCCc1cccc(F)c1)CCC2 ZINC001207603355 1037592827 /nfs/dbraw/zinc/59/28/27/1037592827.db2.gz ZDECBAAWLIBTKZ-UHFFFAOYSA-N 1 3 374.504 2.939 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001207749897 1037693286 /nfs/dbraw/zinc/69/32/86/1037693286.db2.gz GFXRFVYMHDFUJP-BZUAXINKSA-N 1 3 359.505 2.979 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001207749897 1037693292 /nfs/dbraw/zinc/69/32/92/1037693292.db2.gz GFXRFVYMHDFUJP-BZUAXINKSA-N 1 3 359.505 2.979 20 0 FFADHO Brc1cccc([C@H]2CN(CC[C@@H]3CCC[NH2+]C3)CCN2)c1 ZINC001235796625 1037750477 /nfs/dbraw/zinc/75/04/77/1037750477.db2.gz TWUXIYBBFHWVMK-WMLDXEAASA-N 1 3 352.320 2.785 20 0 FFADHO CN(C)c1ccc(-c2ccc(CN3C[C@H]4COC[C@@H](C3)C4[NH3+])cc2)cc1 ZINC001236001184 1037883073 /nfs/dbraw/zinc/88/30/73/1037883073.db2.gz DMNFEHBXYODCQC-RLAPIPATSA-N 1 3 351.494 2.825 20 0 FFADHO [NH3+][C@@]12C[C@@H]1CN(Cc1ccccc1N1CCN(Cc3ccccc3)CC1)C2 ZINC001236025208 1037894224 /nfs/dbraw/zinc/89/42/24/1037894224.db2.gz KQULTZVTFAIBHI-FYYLOGMGSA-N 1 3 362.521 2.542 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001236081442 1037924330 /nfs/dbraw/zinc/92/43/30/1037924330.db2.gz MNPKHXPXSGNAOL-UHFFFAOYSA-N 1 3 352.526 2.757 20 0 FFADHO Cc1ccc(Br)cc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236128931 1037944052 /nfs/dbraw/zinc/94/40/52/1037944052.db2.gz QRAGSLLZMXCFEU-UHFFFAOYSA-N 1 3 352.320 2.627 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001231875440 1037972043 /nfs/dbraw/zinc/97/20/43/1037972043.db2.gz KMIBXGRWILOMLT-DYXWJJEUSA-N 1 3 353.514 2.996 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001231875440 1037972047 /nfs/dbraw/zinc/97/20/47/1037972047.db2.gz KMIBXGRWILOMLT-DYXWJJEUSA-N 1 3 353.514 2.996 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001208106093 1038037098 /nfs/dbraw/zinc/03/70/98/1038037098.db2.gz FMNFCGLDBHDIPU-PCCBWWKXSA-N 1 3 373.541 2.810 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001255595738 1038041896 /nfs/dbraw/zinc/04/18/96/1038041896.db2.gz RAYSZWBXIXJRBC-IBGZPJMESA-N 1 3 374.529 2.893 20 0 FFADHO COC(=O)c1ccc(CN2CCN(CC3(C)CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC001208113570 1038045678 /nfs/dbraw/zinc/04/56/78/1038045678.db2.gz LJDIARDTBYAEQH-SFHVURJKSA-N 1 3 373.541 2.711 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@H]1CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400484 1038073824 /nfs/dbraw/zinc/07/38/24/1038073824.db2.gz DGDYPZICTUXWFJ-KDOFPFPSSA-N 1 3 355.448 2.871 20 0 FFADHO Cc1ccc([C@H](C)CCN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)o1 ZINC001208157332 1038100435 /nfs/dbraw/zinc/10/04/35/1038100435.db2.gz VZMSZYSQTRLVDW-YSHGAJCASA-N 1 3 357.502 2.768 20 0 FFADHO Cc1ccc([C@H](C)CCN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)o1 ZINC001208157332 1038100451 /nfs/dbraw/zinc/10/04/51/1038100451.db2.gz VZMSZYSQTRLVDW-YSHGAJCASA-N 1 3 357.502 2.768 20 0 FFADHO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cc4c[nH]ccc-4n2)CC3)cn1 ZINC001232014015 1038109519 /nfs/dbraw/zinc/10/95/19/1038109519.db2.gz XKYWAQRWGDGZOF-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO Cn1cc(C[N@H+]2CCCC23CCN(Cc2cc4c[nH]ccc-4n2)CC3)cn1 ZINC001232014015 1038109542 /nfs/dbraw/zinc/10/95/42/1038109542.db2.gz XKYWAQRWGDGZOF-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cc4cnccc4[nH]2)CC3)cn1 ZINC001232014015 1038109551 /nfs/dbraw/zinc/10/95/51/1038109551.db2.gz XKYWAQRWGDGZOF-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO Cn1cc(C[N@H+]2CCCC23CCN(Cc2cc4cnccc4[nH]2)CC3)cn1 ZINC001232014015 1038109562 /nfs/dbraw/zinc/10/95/62/1038109562.db2.gz XKYWAQRWGDGZOF-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO COc1ccc(O[C@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)nc1 ZINC001236622908 1038159130 /nfs/dbraw/zinc/15/91/30/1038159130.db2.gz QKZJXBCDBMKUDD-INIZCTEOSA-N 1 3 359.495 2.841 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC001232150314 1038199862 /nfs/dbraw/zinc/19/98/62/1038199862.db2.gz UGJGXWVSAZCUFP-NRFANRHFSA-N 1 3 353.441 2.983 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC001232150314 1038199866 /nfs/dbraw/zinc/19/98/66/1038199866.db2.gz UGJGXWVSAZCUFP-NRFANRHFSA-N 1 3 353.441 2.983 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC001255935022 1038262988 /nfs/dbraw/zinc/26/29/88/1038262988.db2.gz CVJHXWQSJGVLLN-IBGZPJMESA-N 1 3 373.541 2.838 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001208401919 1038284406 /nfs/dbraw/zinc/28/44/06/1038284406.db2.gz KREMUOXACZEDIX-MISYRCLQSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001208401919 1038284414 /nfs/dbraw/zinc/28/44/14/1038284414.db2.gz KREMUOXACZEDIX-MISYRCLQSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2Cl)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448099 1038324096 /nfs/dbraw/zinc/32/40/96/1038324096.db2.gz VEEQEKOZCNXWOX-CRAIPNDOSA-N 1 3 351.922 2.661 20 0 FFADHO CN1CCN(c2cccc(CN3CCCC[C@@H]3C[NH+]3CCCC3)c2)CC1 ZINC001236900839 1038342434 /nfs/dbraw/zinc/34/24/34/1038342434.db2.gz ZUZPOGOAIJSJRZ-JOCHJYFZSA-N 1 3 356.558 2.889 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C[C@H]3CCCN(C)C3)C[C@H]21 ZINC001208608291 1038442243 /nfs/dbraw/zinc/44/22/43/1038442243.db2.gz PXPOWQKODSXGHQ-SEIRJHJZSA-N 1 3 356.558 2.956 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C[C@H]3CCCN(C)C3)C[C@H]21 ZINC001208608291 1038442246 /nfs/dbraw/zinc/44/22/46/1038442246.db2.gz PXPOWQKODSXGHQ-SEIRJHJZSA-N 1 3 356.558 2.956 20 0 FFADHO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001256288277 1038466763 /nfs/dbraw/zinc/46/67/63/1038466763.db2.gz TUXOXWGFBXDCED-SAABIXHNSA-N 1 3 367.534 2.619 20 0 FFADHO COc1cccc(C2(C[NH2+]C3CCN(C(C)(C)C)CC3)CCOCC2)n1 ZINC001256566709 1038563131 /nfs/dbraw/zinc/56/31/31/1038563131.db2.gz LAUPNQCVPYENLJ-UHFFFAOYSA-N 1 3 361.530 2.991 20 0 FFADHO COc1cccc(C2(CNC3CC[NH+](C(C)(C)C)CC3)CCOCC2)n1 ZINC001256566709 1038563134 /nfs/dbraw/zinc/56/31/34/1038563134.db2.gz LAUPNQCVPYENLJ-UHFFFAOYSA-N 1 3 361.530 2.991 20 0 FFADHO CC(C)(C)N1CCC([N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001256570268 1038564618 /nfs/dbraw/zinc/56/46/18/1038564618.db2.gz DFBIHZHHHVTAMI-RXVVDRJESA-N 1 3 359.514 2.957 20 0 FFADHO CC(C)(C)N1CCC([N@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001256570268 1038564624 /nfs/dbraw/zinc/56/46/24/1038564624.db2.gz DFBIHZHHHVTAMI-RXVVDRJESA-N 1 3 359.514 2.957 20 0 FFADHO c1ccc(CN2CCC[C@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)cc1 ZINC001256677285 1038599542 /nfs/dbraw/zinc/59/95/42/1038599542.db2.gz ATTMTCGPWRHJKE-ORFBVSJDSA-N 1 3 357.542 2.884 20 0 FFADHO COc1ccccc1C1(N)CC[NH+](C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681504 1038600450 /nfs/dbraw/zinc/60/04/50/1038600450.db2.gz TXUQNZIFYHKEGX-UHFFFAOYSA-N 1 3 373.541 2.588 20 0 FFADHO COc1cccc2c1SC[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256688127 1038603893 /nfs/dbraw/zinc/60/38/93/1038603893.db2.gz REIDMDWSRUBTBU-ADKAHSJRSA-N 1 3 362.539 2.945 20 0 FFADHO COc1ccc2c(c1)SC[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256687998 1038604275 /nfs/dbraw/zinc/60/42/75/1038604275.db2.gz MELHOIPRILILFA-LXPRWKDFSA-N 1 3 362.539 2.945 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@@H+]3CCC[C@@H](Oc4ncccn4)C3)C2)cc1 ZINC001208955882 1038606399 /nfs/dbraw/zinc/60/63/99/1038606399.db2.gz GHEWCUDJZFVPRY-VQTJNVASSA-N 1 3 352.482 2.842 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@H+]3CCC[C@@H](Oc4ncccn4)C3)C2)cc1 ZINC001208955882 1038606401 /nfs/dbraw/zinc/60/64/01/1038606401.db2.gz GHEWCUDJZFVPRY-VQTJNVASSA-N 1 3 352.482 2.842 20 0 FFADHO CCC1=NC2(CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C(=O)N1C ZINC001208961489 1038607572 /nfs/dbraw/zinc/60/75/72/1038607572.db2.gz GDJQVNRCXNXBKX-IBGZPJMESA-N 1 3 368.525 2.624 20 0 FFADHO CCC1=NC2(CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C(=O)N1C ZINC001208961489 1038607574 /nfs/dbraw/zinc/60/75/74/1038607574.db2.gz GDJQVNRCXNXBKX-IBGZPJMESA-N 1 3 368.525 2.624 20 0 FFADHO c1cn(C2CCC(N3CCOCC3)CC2)c2cccc(N3CC[NH2+]CC3)c12 ZINC001256698608 1038607836 /nfs/dbraw/zinc/60/78/36/1038607836.db2.gz QALDLOLMHZWJOP-UHFFFAOYSA-N 1 3 368.525 2.867 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](NC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256848902 1038633771 /nfs/dbraw/zinc/63/37/71/1038633771.db2.gz JOLLAFPKYNDXSR-IAGOWNOFSA-N 1 3 364.465 2.597 20 0 FFADHO c1ccc(OCCN2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001256861097 1038638688 /nfs/dbraw/zinc/63/86/88/1038638688.db2.gz NYEDLXDJVOPNGX-UHFFFAOYSA-N 1 3 366.509 2.747 20 0 FFADHO CC(C)[NH+]1CCC(N2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CC1 ZINC001257215913 1038747980 /nfs/dbraw/zinc/74/79/80/1038747980.db2.gz FMQMKEQLLAAGBH-UHFFFAOYSA-N 1 3 370.541 2.769 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(CC2CCC2)CC1)COc1ccc(F)cc1F ZINC001250882624 1038776051 /nfs/dbraw/zinc/77/60/51/1038776051.db2.gz MEJAUKZVZJIHEZ-KRWDZBQOSA-N 1 3 354.441 2.559 20 0 FFADHO CN1CCC[C@H]1CC[NH2+]C[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001250919306 1038814775 /nfs/dbraw/zinc/81/47/75/1038814775.db2.gz KCFRZPMXIMOESF-UONOGXRCSA-N 1 3 361.313 2.945 20 0 FFADHO [NH3+]C1CCN(Cc2ccc(C3=CC[C@H](N4CCOCC4)CC3)cc2)CC1 ZINC001245424633 1039003505 /nfs/dbraw/zinc/00/35/05/1039003505.db2.gz FEVSYYKKNBLFIH-QFIPXVFZSA-N 1 3 355.526 2.878 20 0 FFADHO CC(C)CN1CCC([NH2+]CC2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC001258008111 1039105347 /nfs/dbraw/zinc/10/53/47/1039105347.db2.gz FDCNVFOGIWQMHB-UHFFFAOYSA-N 1 3 358.530 2.644 20 0 FFADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001258014349 1039113474 /nfs/dbraw/zinc/11/34/74/1039113474.db2.gz GTYGARKGDBHDKM-FPOVZHCZSA-N 1 3 359.514 2.814 20 0 FFADHO CC(C)CN1CCC([N@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001258014349 1039113480 /nfs/dbraw/zinc/11/34/80/1039113480.db2.gz GTYGARKGDBHDKM-FPOVZHCZSA-N 1 3 359.514 2.814 20 0 FFADHO COc1cc(Cl)cc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)c1 ZINC001278421237 1039152709 /nfs/dbraw/zinc/15/27/09/1039152709.db2.gz FKCFWEYYNCQJNY-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO Nc1ccncc1CN1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001209725026 1039161032 /nfs/dbraw/zinc/16/10/32/1039161032.db2.gz GCKRGZKMTQNOJJ-UHFFFAOYSA-N 1 3 370.472 2.500 20 0 FFADHO Nc1ccncc1C[NH+]1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001209725026 1039161036 /nfs/dbraw/zinc/16/10/36/1039161036.db2.gz GCKRGZKMTQNOJJ-UHFFFAOYSA-N 1 3 370.472 2.500 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](CCCCF)C2)C1=O ZINC001276668386 1039193369 /nfs/dbraw/zinc/19/33/69/1039193369.db2.gz XWCREOMQWSMCSW-CTNGQTDRSA-N 1 3 361.505 2.616 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](CCCCF)C2)C1=O ZINC001276668386 1039193374 /nfs/dbraw/zinc/19/33/74/1039193374.db2.gz XWCREOMQWSMCSW-CTNGQTDRSA-N 1 3 361.505 2.616 20 0 FFADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001278426547 1039210019 /nfs/dbraw/zinc/21/00/19/1039210019.db2.gz XRJPUAROWMIUIF-UHFFFAOYSA-N 1 3 357.542 2.885 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)N(C)C)cc1 ZINC001251683971 1039250424 /nfs/dbraw/zinc/25/04/24/1039250424.db2.gz DUWHMDOILQFYHO-NJYVYQBISA-N 1 3 372.557 2.833 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)N(C)C)cc1 ZINC001251683971 1039250439 /nfs/dbraw/zinc/25/04/39/1039250439.db2.gz DUWHMDOILQFYHO-NJYVYQBISA-N 1 3 372.557 2.833 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)CCN1 ZINC001246199416 1039276031 /nfs/dbraw/zinc/27/60/31/1039276031.db2.gz WCVRSSLIAFBNEN-QBPKDAKJSA-N 1 3 370.534 2.749 20 0 FFADHO CCC(CC)[C@@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246413370 1039343971 /nfs/dbraw/zinc/34/39/71/1039343971.db2.gz VTJCOPIMYFTYJX-LOSJDPNDSA-N 1 3 368.562 2.703 20 0 FFADHO COc1cccc(C2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246414862 1039346781 /nfs/dbraw/zinc/34/67/81/1039346781.db2.gz JNQFHLLDJGGAMT-HOCLYGCPSA-N 1 3 357.420 2.546 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1[C@H]1CCc3cc(F)ccc3C1)CC[NH2+]CC2 ZINC001246604029 1039410688 /nfs/dbraw/zinc/41/06/88/1039410688.db2.gz QGKVWJAZJQLETF-RBUKOAKNSA-N 1 3 360.473 2.690 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCc4cc(F)ccc4C3)C[C@@H]1CNCCC2 ZINC001246609357 1039414023 /nfs/dbraw/zinc/41/40/23/1039414023.db2.gz MPZQVTCSEYWNGI-CUWPLCDZSA-N 1 3 360.473 2.548 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCc4cc(F)ccc4C3)C[C@@H]1CNCCC2 ZINC001246609357 1039414027 /nfs/dbraw/zinc/41/40/27/1039414027.db2.gz MPZQVTCSEYWNGI-CUWPLCDZSA-N 1 3 360.473 2.548 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246612839 1039414357 /nfs/dbraw/zinc/41/43/57/1039414357.db2.gz XLCCBEPBNMZAMP-JOCHJYFZSA-N 1 3 373.541 2.886 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1[C@H]1CCc3ccc(C)cc3C1)CC[NH2+]CC2 ZINC001246611568 1039415077 /nfs/dbraw/zinc/41/50/77/1039415077.db2.gz UOERLEHTAQZBBU-VQTJNVASSA-N 1 3 356.510 2.860 20 0 FFADHO O=C(c1cccs1)N1CCC[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246707337 1039444497 /nfs/dbraw/zinc/44/44/97/1039444497.db2.gz GGGQJRIPITXOGA-YUBNGQEKSA-N 1 3 359.539 2.959 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@H]3CN([C@@H]4CCC5(C4)CC[NH2+]CC5)CCN3C2)c1 ZINC001246741432 1039458530 /nfs/dbraw/zinc/45/85/30/1039458530.db2.gz ABERPYRYLMJWGW-SVFBPWRDSA-N 1 3 373.516 2.885 20 0 FFADHO Fc1cccc(O[C@@H]2C[C@@H]3CN([C@@H]4CCC5(C4)CC[NH2+]CC5)CCN3C2)c1 ZINC001246741431 1039458726 /nfs/dbraw/zinc/45/87/26/1039458726.db2.gz ABERPYRYLMJWGW-SFHLNBCPSA-N 1 3 373.516 2.885 20 0 FFADHO C[C@@H]1C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)C[C@H](C)[NH2+]1 ZINC001246804362 1039486837 /nfs/dbraw/zinc/48/68/37/1039486837.db2.gz GUFFGBXZKDOAJF-DLTLXFJOSA-N 1 3 352.320 2.924 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426271 1039542045 /nfs/dbraw/zinc/54/20/45/1039542045.db2.gz DTSWRGCNGQFIAI-OXQOHEQNSA-N 1 3 356.514 2.836 20 0 FFADHO Cc1cccc(OCCN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210433624 1039543500 /nfs/dbraw/zinc/54/35/00/1039543500.db2.gz UWIOUAWIRHHTMY-UYAOXDASSA-N 1 3 361.530 2.542 20 0 FFADHO COc1ccc(C[N@H+](C2CCNCC2)[C@@H]2CCN[C@H](C(F)(F)F)C2)cc1 ZINC001246952340 1039546758 /nfs/dbraw/zinc/54/67/58/1039546758.db2.gz LABPHAULSGUFHC-AEFFLSMTSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(C[N@@H+](C2CCNCC2)[C@@H]2CCN[C@H](C(F)(F)F)C2)cc1 ZINC001246952340 1039546776 /nfs/dbraw/zinc/54/67/76/1039546776.db2.gz LABPHAULSGUFHC-AEFFLSMTSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(CN(C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C(F)(F)F)C2)cc1 ZINC001246952340 1039546791 /nfs/dbraw/zinc/54/67/91/1039546791.db2.gz LABPHAULSGUFHC-AEFFLSMTSA-N 1 3 371.447 2.932 20 0 FFADHO O[C@]1(CNCCN2CCCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC001252946042 1039841128 /nfs/dbraw/zinc/84/11/28/1039841128.db2.gz MWAWFHHXFJHREL-QHCPKHFHSA-N 1 3 365.521 2.666 20 0 FFADHO O[C@]1(CNCCN2CCCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946042 1039841155 /nfs/dbraw/zinc/84/11/55/1039841155.db2.gz MWAWFHHXFJHREL-QHCPKHFHSA-N 1 3 365.521 2.666 20 0 FFADHO OC1(C[NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC001252979075 1039889493 /nfs/dbraw/zinc/88/94/93/1039889493.db2.gz NNOHHKGJHRKHTI-UHFFFAOYSA-N 1 3 352.906 2.683 20 0 FFADHO CCCC[C@H](CC)COC[C@@H](O)CN(CCOC)C1CC[NH+](C)CC1 ZINC001253002487 1039906208 /nfs/dbraw/zinc/90/62/08/1039906208.db2.gz PEIGMRFLMIVFHT-ICSRJNTNSA-N 1 3 358.567 2.623 20 0 FFADHO Cc1ccc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1Br ZINC001278703221 1040045482 /nfs/dbraw/zinc/04/54/82/1040045482.db2.gz ZNRNAGJTGFXJAI-FUHWJXTLSA-N 1 3 366.347 2.825 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211309388 1040076312 /nfs/dbraw/zinc/07/63/12/1040076312.db2.gz CPEQCJKSXNTCSP-YLJYHZDGSA-N 1 3 361.505 2.969 20 0 FFADHO Fc1cc(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)ccn1 ZINC001278727599 1040215071 /nfs/dbraw/zinc/21/50/71/1040215071.db2.gz ZAZICHFJJREOEJ-UHFFFAOYSA-N 1 3 357.477 2.795 20 0 FFADHO Fc1cc(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)ccn1 ZINC001278727599 1040215082 /nfs/dbraw/zinc/21/50/82/1040215082.db2.gz ZAZICHFJJREOEJ-UHFFFAOYSA-N 1 3 357.477 2.795 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001248464242 1040287088 /nfs/dbraw/zinc/28/70/88/1040287088.db2.gz NASVSAGWOOCKEL-KRWDZBQOSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)(C)[C@@H](O)CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001253723766 1040339709 /nfs/dbraw/zinc/33/97/09/1040339709.db2.gz IIQXNAJWCGBGNG-URVUXULASA-N 1 3 364.574 2.854 20 0 FFADHO CC(C)(C)[C@@H](O)CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001253723766 1040339724 /nfs/dbraw/zinc/33/97/24/1040339724.db2.gz IIQXNAJWCGBGNG-URVUXULASA-N 1 3 364.574 2.854 20 0 FFADHO CCOC(=O)CC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254037592 1040536596 /nfs/dbraw/zinc/53/65/96/1040536596.db2.gz XOCXHDBWFPAISD-UHFFFAOYSA-N 1 3 374.525 2.679 20 0 FFADHO OCC[N@H+](Cc1cccs1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254036714 1040536854 /nfs/dbraw/zinc/53/68/54/1040536854.db2.gz JZTOZBUEPURGFJ-UHFFFAOYSA-N 1 3 360.523 2.570 20 0 FFADHO OCC[N@@H+](Cc1cccs1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254036714 1040536869 /nfs/dbraw/zinc/53/68/69/1040536869.db2.gz JZTOZBUEPURGFJ-UHFFFAOYSA-N 1 3 360.523 2.570 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1OC)N(CC)CC ZINC001213434546 1040549590 /nfs/dbraw/zinc/54/95/90/1040549590.db2.gz GQDGHHWEEPHDGU-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1OC)N(CC)CC ZINC001213434546 1040549605 /nfs/dbraw/zinc/54/96/05/1040549605.db2.gz GQDGHHWEEPHDGU-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO COc1cc(F)ccc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254050068 1040550556 /nfs/dbraw/zinc/55/05/56/1040550556.db2.gz DGMLZKUBQQCICY-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO Cn1cc2cccc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)c2n1 ZINC001254049633 1040550951 /nfs/dbraw/zinc/55/09/51/1040550951.db2.gz HEOACJWQQYABDH-UHFFFAOYSA-N 1 3 364.493 2.690 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230473 1040625860 /nfs/dbraw/zinc/62/58/60/1040625860.db2.gz CRBTZNWVEFQIPG-HZPDHXFCSA-N 1 3 353.507 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230473 1040625867 /nfs/dbraw/zinc/62/58/67/1040625867.db2.gz CRBTZNWVEFQIPG-HZPDHXFCSA-N 1 3 353.507 2.767 20 0 FFADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230473 1040625877 /nfs/dbraw/zinc/62/58/77/1040625877.db2.gz CRBTZNWVEFQIPG-HZPDHXFCSA-N 1 3 353.507 2.767 20 0 FFADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3cccc(-c4ccsc4)c3)C[C@H]21 ZINC001278788366 1040735148 /nfs/dbraw/zinc/73/51/48/1040735148.db2.gz OJTPSFWREKNRCB-RTWAWAEBSA-N 1 3 371.550 2.862 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCCC[N@@H+](C)C3)C2)cc1 ZINC001254473025 1040738674 /nfs/dbraw/zinc/73/86/74/1040738674.db2.gz AMLQVCHSMGEZBK-VQTJNVASSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC001254473025 1040738692 /nfs/dbraw/zinc/73/86/92/1040738692.db2.gz AMLQVCHSMGEZBK-VQTJNVASSA-N 1 3 358.530 2.600 20 0 FFADHO CN1CCC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)CC1 ZINC001254520902 1040768640 /nfs/dbraw/zinc/76/86/40/1040768640.db2.gz ZIDHZXMAYQJQIZ-BHDDXSALSA-N 1 3 373.541 2.954 20 0 FFADHO CN1CCC[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)CC1 ZINC001254520902 1040768655 /nfs/dbraw/zinc/76/86/55/1040768655.db2.gz ZIDHZXMAYQJQIZ-BHDDXSALSA-N 1 3 373.541 2.954 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CC1 ZINC001254523797 1040779565 /nfs/dbraw/zinc/77/95/65/1040779565.db2.gz WDCGJZINCAQHPT-JAXLGGSGSA-N 1 3 371.525 2.524 20 0 FFADHO C[N@H+]1CCC[C@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CC1 ZINC001254523797 1040779583 /nfs/dbraw/zinc/77/95/83/1040779583.db2.gz WDCGJZINCAQHPT-JAXLGGSGSA-N 1 3 371.525 2.524 20 0 FFADHO CCc1nc(C)c(C[NH+]2CCC3(CCCN(COCCOC)C3)CC2)[nH]1 ZINC001278519344 1040881295 /nfs/dbraw/zinc/88/12/95/1040881295.db2.gz YGVIECOMQVVEOE-UHFFFAOYSA-N 1 3 364.534 2.579 20 0 FFADHO CC(C)[N@H+](CCCN)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254714282 1040901919 /nfs/dbraw/zinc/90/19/19/1040901919.db2.gz CUCODUJXBDPLPV-UHFFFAOYSA-N 1 3 369.550 2.994 20 0 FFADHO CC(C)[N@@H+](CCCN)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254714282 1040901941 /nfs/dbraw/zinc/90/19/41/1040901941.db2.gz CUCODUJXBDPLPV-UHFFFAOYSA-N 1 3 369.550 2.994 20 0 FFADHO COc1cc(C(F)(F)F)ccc1CN1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001278808015 1040924187 /nfs/dbraw/zinc/92/41/87/1040924187.db2.gz MXLMTJHWGBJIJX-WMLDXEAASA-N 1 3 371.447 2.782 20 0 FFADHO COc1cc(C(F)(F)F)ccc1CN1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001278808015 1040924207 /nfs/dbraw/zinc/92/42/07/1040924207.db2.gz MXLMTJHWGBJIJX-WMLDXEAASA-N 1 3 371.447 2.782 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](N3CCN(c4cc[nH+]cc4)CC3)C[C@@H]2C1 ZINC001254899517 1041036768 /nfs/dbraw/zinc/03/67/68/1041036768.db2.gz IHGZPHOVJLKJSD-IZZQQSIFSA-N 1 3 372.513 2.849 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH+]3CCN(c4ccncc4)CC3)C[C@@H]2C1 ZINC001254899517 1041036787 /nfs/dbraw/zinc/03/67/87/1041036787.db2.gz IHGZPHOVJLKJSD-IZZQQSIFSA-N 1 3 372.513 2.849 20 0 FFADHO CO[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCC1 ZINC001213933653 1041087349 /nfs/dbraw/zinc/08/73/49/1041087349.db2.gz CRCXZUUSLKOKAE-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)[C@H](C(C)C)N1CCCC1 ZINC001213933653 1041087367 /nfs/dbraw/zinc/08/73/67/1041087367.db2.gz CRCXZUUSLKOKAE-AQNXPRMDSA-N 1 3 365.562 2.503 20 0 FFADHO CC[N@H+](C)C1CCN(C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001255011032 1041103493 /nfs/dbraw/zinc/10/34/93/1041103493.db2.gz LGJYAVDNLFVVAX-FRIKZZABSA-N 1 3 357.542 2.835 20 0 FFADHO CC[N@@H+](C)C1CCN(C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001255011032 1041103502 /nfs/dbraw/zinc/10/35/02/1041103502.db2.gz LGJYAVDNLFVVAX-FRIKZZABSA-N 1 3 357.542 2.835 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974170 1041129807 /nfs/dbraw/zinc/12/98/07/1041129807.db2.gz LERQJLBUVAZMLB-SBUVDCAVSA-N 1 3 365.562 2.814 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc(F)c1 ZINC001250807893 1041377236 /nfs/dbraw/zinc/37/72/36/1041377236.db2.gz HMCIZCRQZQSJEZ-IPMKNSEASA-N 1 3 350.478 2.904 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc(F)c1 ZINC001250807893 1041377238 /nfs/dbraw/zinc/37/72/38/1041377238.db2.gz HMCIZCRQZQSJEZ-IPMKNSEASA-N 1 3 350.478 2.904 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2ccc(F)cc2n1 ZINC001261749490 1041395924 /nfs/dbraw/zinc/39/59/24/1041395924.db2.gz IIWCTUYWYBMPFU-HNNXBMFYSA-N 1 3 360.477 2.684 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2ccc(F)cc2n1 ZINC001261749490 1041395932 /nfs/dbraw/zinc/39/59/32/1041395932.db2.gz IIWCTUYWYBMPFU-HNNXBMFYSA-N 1 3 360.477 2.684 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001214998388 1041640118 /nfs/dbraw/zinc/64/01/18/1041640118.db2.gz WCYRSUFLOQAJEA-HZSPNIEDSA-N 1 3 364.361 2.737 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NC/C(Cl)=C/Cl ZINC001215069197 1041658311 /nfs/dbraw/zinc/65/83/11/1041658311.db2.gz FCWNOQPHOCQERV-AXIVHTBFSA-N 1 3 353.253 2.703 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)Cc1ccc(F)cc1 ZINC001262563410 1041722709 /nfs/dbraw/zinc/72/27/09/1041722709.db2.gz DIQVPHKAJYBIRI-NRFANRHFSA-N 1 3 357.473 2.626 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccccc1O2 ZINC001262562925 1041722779 /nfs/dbraw/zinc/72/27/79/1041722779.db2.gz PFIFAIYHKPVJFN-HKUYNNGSSA-N 1 3 374.525 2.620 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC001215540650 1041820660 /nfs/dbraw/zinc/82/06/60/1041820660.db2.gz PAOBCOGPQPVFDC-SQGPQFPESA-N 1 3 361.505 2.537 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CCC(F)(F)F ZINC001215541364 1041820674 /nfs/dbraw/zinc/82/06/74/1041820674.db2.gz ZKMBGLUSGBIVDA-XJKCOSOUSA-N 1 3 367.431 2.588 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2ncccc2C)C1)C(C)C ZINC001215977171 1041922459 /nfs/dbraw/zinc/92/24/59/1041922459.db2.gz IYEHBNZCSHHLPI-MISYRCLQSA-N 1 3 360.546 2.693 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001216511407 1042045376 /nfs/dbraw/zinc/04/53/76/1042045376.db2.gz RAVDOZOMGDCXTI-HBUWYVDXSA-N 1 3 353.457 2.804 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cc21 ZINC001263095623 1042100407 /nfs/dbraw/zinc/10/04/07/1042100407.db2.gz RHXMMPXZBSCUON-QGZVFWFLSA-N 1 3 353.470 2.915 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC001263924596 1042535990 /nfs/dbraw/zinc/53/59/90/1042535990.db2.gz AOMJAOFMFAVKBE-WMLDXEAASA-N 1 3 353.457 2.681 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC001263924596 1042535992 /nfs/dbraw/zinc/53/59/92/1042535992.db2.gz AOMJAOFMFAVKBE-WMLDXEAASA-N 1 3 353.457 2.681 20 0 FFADHO C[NH+](C)CCN1CCO[C@@]2(CCCN(Cc3ccc(C(F)F)cc3)C2)C1 ZINC001279140938 1042916510 /nfs/dbraw/zinc/91/65/10/1042916510.db2.gz LUPMYUTXBOUALE-FQEVSTJZSA-N 1 3 367.484 2.853 20 0 FFADHO C[C@H]1C[C@H]1CN1CC2(CCN2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001279268410 1042975192 /nfs/dbraw/zinc/97/51/92/1042975192.db2.gz BHYFOYMKXSGBLO-ICSRJNTNSA-N 1 3 357.542 2.933 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cc(F)cc(F)c3F)C[C@H]2CC1 ZINC001279427051 1043101070 /nfs/dbraw/zinc/10/10/70/1043101070.db2.gz MJAVBJYPNVWLRD-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cc(F)cc(F)c3F)C[C@H]2CC1 ZINC001279427051 1043101073 /nfs/dbraw/zinc/10/10/73/1043101073.db2.gz MJAVBJYPNVWLRD-GASCZTMLSA-N 1 3 355.448 2.809 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cc3ccc(Cl)cc3[nH]2)CCC12C[NH2+]C2 ZINC001237430695 1043156614 /nfs/dbraw/zinc/15/66/14/1043156614.db2.gz METBSGLKMIGTSF-MRXNPFEDSA-N 1 3 361.873 2.796 20 0 FFADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@H](C)OCc1ccccc1 ZINC001279512462 1043209150 /nfs/dbraw/zinc/20/91/50/1043209150.db2.gz IMBBONXMBFXWMK-XSLAUPDRSA-N 1 3 362.514 2.797 20 0 FFADHO Cc1nc(C)c(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)[nH]1 ZINC001279544073 1043238766 /nfs/dbraw/zinc/23/87/66/1043238766.db2.gz GREQWJVIXLPXRG-UHFFFAOYSA-N 1 3 356.518 2.601 20 0 FFADHO Cc1nc(C)c(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)[nH]1 ZINC001279544073 1043238778 /nfs/dbraw/zinc/23/87/78/1043238778.db2.gz GREQWJVIXLPXRG-UHFFFAOYSA-N 1 3 356.518 2.601 20 0 FFADHO CN1CCC2(C[NH+](C[C@H]3CCCN(C(=O)OCc4ccccc4)C3)C2)C1 ZINC001278116099 1043249406 /nfs/dbraw/zinc/24/94/06/1043249406.db2.gz DPPZBZJOSOLFNI-LJQANCHMSA-N 1 3 357.498 2.673 20 0 FFADHO CSc1ccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cn1 ZINC001279585029 1043298350 /nfs/dbraw/zinc/29/83/50/1043298350.db2.gz NNMDULNPGLNWSA-UHFFFAOYSA-N 1 3 371.554 2.988 20 0 FFADHO CSc1ccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cn1 ZINC001279585029 1043298359 /nfs/dbraw/zinc/29/83/59/1043298359.db2.gz NNMDULNPGLNWSA-UHFFFAOYSA-N 1 3 371.554 2.988 20 0 FFADHO CCn1ccnc1CN1CC[C@H]2C[N@@H+](CC(C)(C)CN(C)C)C[C@H]2CC1 ZINC001279591784 1043307629 /nfs/dbraw/zinc/30/76/29/1043307629.db2.gz QTJBCUYDKPPRIV-KDURUIRLSA-N 1 3 361.578 2.635 20 0 FFADHO CCn1ccnc1CN1CC[C@H]2C[N@H+](CC(C)(C)CN(C)C)C[C@H]2CC1 ZINC001279591784 1043307639 /nfs/dbraw/zinc/30/76/39/1043307639.db2.gz QTJBCUYDKPPRIV-KDURUIRLSA-N 1 3 361.578 2.635 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(CC3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001279609149 1043333440 /nfs/dbraw/zinc/33/34/40/1043333440.db2.gz ISIIALOKWJNOGI-NRSPTQNISA-N 1 3 351.579 2.930 20 0 FFADHO Cc1cc(CN2CCCC3(CC[NH+](C[C@H]4CCCOC4)CC3)C2)n(C)n1 ZINC001279618531 1043351386 /nfs/dbraw/zinc/35/13/86/1043351386.db2.gz XHFIECLRHVCKKB-LJQANCHMSA-N 1 3 360.546 2.833 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1cc(C(C)(C)C)c[nH]1)CC2 ZINC001279718634 1043522172 /nfs/dbraw/zinc/52/21/72/1043522172.db2.gz FJEZZEMTVPEOLO-UHFFFAOYSA-N 1 3 360.546 2.688 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1cc(C(C)(C)C)c[nH]1)CC2 ZINC001279718634 1043522177 /nfs/dbraw/zinc/52/21/77/1043522177.db2.gz FJEZZEMTVPEOLO-UHFFFAOYSA-N 1 3 360.546 2.688 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001279888726 1043855861 /nfs/dbraw/zinc/85/58/61/1043855861.db2.gz DJQXWXWJODMMGV-OAHLLOKOSA-N 1 3 363.468 2.841 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC001279941024 1043956800 /nfs/dbraw/zinc/95/68/00/1043956800.db2.gz RFQSJITZHPGVNX-WKCHPHFGSA-N 1 3 357.542 2.945 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001311770368 1043974727 /nfs/dbraw/zinc/97/47/27/1043974727.db2.gz PDALFKFMJKTSLB-CJNGLKHVSA-N 1 3 374.451 2.948 20 0 FFADHO CN(C)CCN(C(=O)NCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001239308347 1044096639 /nfs/dbraw/zinc/09/66/39/1044096639.db2.gz XKPBJRIPELCXST-HNNXBMFYSA-N 1 3 373.328 2.819 20 0 FFADHO Cc1ccc(Cl)cc1NC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363328 1044103900 /nfs/dbraw/zinc/10/39/00/1044103900.db2.gz PBVQLZNLFWJSBC-CQSZACIVSA-N 1 3 352.935 2.809 20 0 FFADHO O=C1CCC[C@]2(CN(CCCC(F)(F)F)CCN(c3cc[nH+]cc3)C2)N1 ZINC001280093427 1044196980 /nfs/dbraw/zinc/19/69/80/1044196980.db2.gz NMSXKAXBTSQCCO-QGZVFWFLSA-N 1 3 370.419 2.585 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001312993397 1044206955 /nfs/dbraw/zinc/20/69/55/1044206955.db2.gz AGIWDHUGJQYPNQ-ZWOKBUDYSA-N 1 3 358.530 2.902 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001312993397 1044206969 /nfs/dbraw/zinc/20/69/69/1044206969.db2.gz AGIWDHUGJQYPNQ-ZWOKBUDYSA-N 1 3 358.530 2.902 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001313005278 1044208773 /nfs/dbraw/zinc/20/87/73/1044208773.db2.gz YOYLVAXOWCDRRO-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001313005278 1044208785 /nfs/dbraw/zinc/20/87/85/1044208785.db2.gz YOYLVAXOWCDRRO-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001313135308 1044247170 /nfs/dbraw/zinc/24/71/70/1044247170.db2.gz CACXQCNAIQOJQC-QUCCMNQESA-N 1 3 360.546 2.736 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313135308 1044247186 /nfs/dbraw/zinc/24/71/86/1044247186.db2.gz CACXQCNAIQOJQC-QUCCMNQESA-N 1 3 360.546 2.736 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313188601 1044264767 /nfs/dbraw/zinc/26/47/67/1044264767.db2.gz XMPNVQCQQDMNNP-UXHICEINSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313188601 1044264783 /nfs/dbraw/zinc/26/47/83/1044264783.db2.gz XMPNVQCQQDMNNP-UXHICEINSA-N 1 3 358.530 2.600 20 0 FFADHO c1ccc(CN2CCC=C(c3ccc(O[C@@H]4CCC[NH2+]C4)nn3)C2)cc1 ZINC001240386157 1044323665 /nfs/dbraw/zinc/32/36/65/1044323665.db2.gz CQUIRUIPAGRQFV-LJQANCHMSA-N 1 3 350.466 2.897 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001313371031 1044333287 /nfs/dbraw/zinc/33/32/87/1044333287.db2.gz WDRSGZCVRDTVGB-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001313371031 1044333303 /nfs/dbraw/zinc/33/33/03/1044333303.db2.gz WDRSGZCVRDTVGB-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318801642 1044885604 /nfs/dbraw/zinc/88/56/04/1044885604.db2.gz VFPZVVCIEYODLC-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318801642 1044885616 /nfs/dbraw/zinc/88/56/16/1044885616.db2.gz VFPZVVCIEYODLC-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO Cc1nsc(C)c1CNC[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319608513 1045211921 /nfs/dbraw/zinc/21/19/21/1045211921.db2.gz ISXANCWCSPDWSN-HYVNUMGLSA-N 1 3 366.575 2.721 20 0 FFADHO Cc1nsc(C)c1CNC[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319608513 1045211932 /nfs/dbraw/zinc/21/19/32/1045211932.db2.gz ISXANCWCSPDWSN-HYVNUMGLSA-N 1 3 366.575 2.721 20 0 FFADHO COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001321436072 1045663796 /nfs/dbraw/zinc/66/37/96/1045663796.db2.gz BSQIPAUCABRZTM-QHCPKHFHSA-N 1 3 367.537 2.781 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001321744991 1045783732 /nfs/dbraw/zinc/78/37/32/1045783732.db2.gz WPGFGLYCHIBGGH-RBUKOAKNSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H](CN(C)Cc1cccc(C(F)F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322161510 1045973750 /nfs/dbraw/zinc/97/37/50/1045973750.db2.gz VOBDHYASSZAJBF-JJRVBVJISA-N 1 3 353.457 2.901 20 0 FFADHO C[C@@H](CN(C)Cc1cccc(C(F)F)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322161510 1045973758 /nfs/dbraw/zinc/97/37/58/1045973758.db2.gz VOBDHYASSZAJBF-JJRVBVJISA-N 1 3 353.457 2.901 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327479528 1047916307 /nfs/dbraw/zinc/91/63/07/1047916307.db2.gz HGYRIJIVPRKAFN-QUCCMNQESA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001327829724 1048060824 /nfs/dbraw/zinc/06/08/24/1048060824.db2.gz DQVDFXDTWDJHTB-MOPGFXCFSA-N 1 3 362.518 2.758 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)N(C)C)cc1 ZINC001331877808 1048151626 /nfs/dbraw/zinc/15/16/26/1048151626.db2.gz YUXBKHKCNUHRMQ-ZCNNSNEGSA-N 1 3 374.529 2.612 20 0 FFADHO CC[NH+]1CCC(C(=O)N2CCCN(C(C)C)CC2)(c2ccccc2)CC1 ZINC001292742188 1049385825 /nfs/dbraw/zinc/38/58/25/1049385825.db2.gz RKWUZZHDRIGYPV-UHFFFAOYSA-N 1 3 357.542 2.983 20 0 FFADHO COc1cccc([C@@H]2CC(=O)N(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)C2)c1 ZINC001334727049 1049549315 /nfs/dbraw/zinc/54/93/15/1049549315.db2.gz XUDLYMVOFVFMAL-MTQWCTHYSA-N 1 3 371.525 2.631 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCCC3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001295994043 1050009427 /nfs/dbraw/zinc/00/94/27/1050009427.db2.gz GDOLCMKGKJKMAY-ULQDDVLXSA-N 1 3 362.566 2.805 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc3c(c2)OCCNC3)CC1 ZINC001341500916 1050142594 /nfs/dbraw/zinc/14/25/94/1050142594.db2.gz FGWGXGYOGFQDAB-UHFFFAOYSA-N 1 3 357.498 2.649 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3[NH2+]CC34CCCC4)c2)CC1 ZINC001339767721 1050186796 /nfs/dbraw/zinc/18/67/96/1050186796.db2.gz ITOBOTZNMLCCDU-LJQANCHMSA-N 1 3 356.514 2.688 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001316663722 1050376524 /nfs/dbraw/zinc/37/65/24/1050376524.db2.gz GUXIQUNZICNKLO-NSHGMRRFSA-N 1 3 361.530 2.656 20 0 FFADHO Cn1c(C(=O)Nc2ccc3c(c2)CNCCO3)ccc1[C@@H]1CCCC[NH2+]1 ZINC001341789288 1050401684 /nfs/dbraw/zinc/40/16/84/1050401684.db2.gz XPHGRTQUHZVLAP-INIZCTEOSA-N 1 3 354.454 2.574 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001340017107 1050428534 /nfs/dbraw/zinc/42/85/34/1050428534.db2.gz ABRJGZLVXQXYER-VQTJNVASSA-N 1 3 355.526 2.937 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ncoc1C1CC[NH2+]CC1 ZINC001340020538 1050431637 /nfs/dbraw/zinc/43/16/37/1050431637.db2.gz QQKCIAYPMHJRDH-SFHVURJKSA-N 1 3 368.481 2.709 20 0 FFADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc2c(s1)CNCC2 ZINC001340033838 1050444624 /nfs/dbraw/zinc/44/46/24/1050444624.db2.gz ONIXQOKUZFSQHW-UHFFFAOYSA-N 1 3 369.534 2.831 20 0 FFADHO Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001340102523 1050507708 /nfs/dbraw/zinc/50/77/08/1050507708.db2.gz LGLYKBDPFLMXFA-IBGZPJMESA-N 1 3 374.577 2.717 20 0 FFADHO Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001340102523 1050507713 /nfs/dbraw/zinc/50/77/13/1050507713.db2.gz LGLYKBDPFLMXFA-IBGZPJMESA-N 1 3 374.577 2.717 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)CC1 ZINC001342000836 1050599121 /nfs/dbraw/zinc/59/91/21/1050599121.db2.gz NEBHHFCAPRNNIN-RTBURBONSA-N 1 3 371.525 2.616 20 0 FFADHO CCN(C)[C@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001302177850 1051055202 /nfs/dbraw/zinc/05/52/02/1051055202.db2.gz KGKSWYGSWDQUGP-SFTDATJTSA-N 1 3 351.494 2.723 20 0 FFADHO CC(C)(C)N1CCN(c2nnc(C3CC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001302203353 1051062269 /nfs/dbraw/zinc/06/22/69/1051062269.db2.gz OTWDOPHONXUVFT-UHFFFAOYSA-N 1 3 374.577 2.952 20 0 FFADHO Cc1ccccc1[C@H](N)C(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1 ZINC001342499741 1051102371 /nfs/dbraw/zinc/10/23/71/1051102371.db2.gz QINFBPXXVKFMHT-IBGZPJMESA-N 1 3 363.465 2.977 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001343407566 1052212251 /nfs/dbraw/zinc/21/22/51/1052212251.db2.gz FXWCKJNFEOPPJK-GOSISDBHSA-N 1 3 369.513 2.661 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC001308330205 1052446895 /nfs/dbraw/zinc/44/68/95/1052446895.db2.gz JLCJDRNCFGXRHF-DLBZAZTESA-N 1 3 366.889 2.579 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@@H](NC(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001308604520 1052476507 /nfs/dbraw/zinc/47/65/07/1052476507.db2.gz ZLLANHUCCNWLTH-NQIIRXRSSA-N 1 3 358.530 2.667 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](NC(N)=O)C2)CCN(Cc2ccccc2)C1 ZINC001308604520 1052476508 /nfs/dbraw/zinc/47/65/08/1052476508.db2.gz ZLLANHUCCNWLTH-NQIIRXRSSA-N 1 3 358.530 2.667 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001308792747 1052499943 /nfs/dbraw/zinc/49/99/43/1052499943.db2.gz NCLMXLNEHNMNNI-QGZVFWFLSA-N 1 3 370.582 2.686 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001308792747 1052499944 /nfs/dbraw/zinc/49/99/44/1052499944.db2.gz NCLMXLNEHNMNNI-QGZVFWFLSA-N 1 3 370.582 2.686 20 0 FFADHO O=C(N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1cccc2c1CNC2 ZINC001344614672 1052860477 /nfs/dbraw/zinc/86/04/77/1052860477.db2.gz UDLRVGRFQHMLEK-IBGZPJMESA-N 1 3 363.461 2.666 20 0 FFADHO O=C(CC[NH2+]C1CCN(C2CCOCC2)CC1)Nc1ccc(Cl)cc1 ZINC001335459847 1053379442 /nfs/dbraw/zinc/37/94/42/1053379442.db2.gz JSAJYQKHEBBKNJ-UHFFFAOYSA-N 1 3 365.905 2.902 20 0 FFADHO CCC1([NH+](C)C)CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)CC1 ZINC001347756330 1054287751 /nfs/dbraw/zinc/28/77/51/1054287751.db2.gz YKFHEZWIVVKVTB-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO CN1CCN(c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC001356060966 1055253566 /nfs/dbraw/zinc/25/35/66/1055253566.db2.gz AMMUAMOVHINOCY-VCSGRIEYSA-N 1 3 354.542 2.686 20 0 FFADHO CN1CCN(c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC001356060966 1055253574 /nfs/dbraw/zinc/25/35/74/1055253574.db2.gz AMMUAMOVHINOCY-VCSGRIEYSA-N 1 3 354.542 2.686 20 0 FFADHO O[C@@H](CNCC1(Cc2ccc(Br)cc2)CC1)C[NH+]1CCCC1 ZINC001338417975 1055493072 /nfs/dbraw/zinc/49/30/72/1055493072.db2.gz KDNRYYNXMTVLOJ-KRWDZBQOSA-N 1 3 367.331 2.818 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)N2CCCC2)cc1 ZINC001338491946 1055565037 /nfs/dbraw/zinc/56/50/37/1055565037.db2.gz QEVRFHCVNWVOFU-HOJAQTOUSA-N 1 3 358.530 2.758 20 0 FFADHO CCOC(CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OCC ZINC000849088853 1055635162 /nfs/dbraw/zinc/63/51/62/1055635162.db2.gz URUSZEBOBQHMJB-UHFFFAOYSA-N 1 3 362.518 2.554 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3c(c2)OCCNC3)CC1 ZINC001357362332 1055878216 /nfs/dbraw/zinc/87/82/16/1055878216.db2.gz RBZVIFNNUYREJG-UHFFFAOYSA-N 1 3 359.514 2.753 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3c(c2)OCCNC3)CC1 ZINC001357362332 1055878222 /nfs/dbraw/zinc/87/82/22/1055878222.db2.gz RBZVIFNNUYREJG-UHFFFAOYSA-N 1 3 359.514 2.753 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001357740741 1055997815 /nfs/dbraw/zinc/99/78/15/1055997815.db2.gz RCIIBKLBWBNRJX-KOMQPUFPSA-N 1 3 372.435 2.516 20 0 FFADHO S=C(NCC[NH+]1CCCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001200438073 1058176491 /nfs/dbraw/zinc/17/64/91/1058176491.db2.gz OMOAIVYFNZKJQO-IBGZPJMESA-N 1 3 360.571 2.601 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NC/C=C/c3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC001499230904 1058271364 /nfs/dbraw/zinc/27/13/64/1058271364.db2.gz MTWNRSXDWXDJIS-UIXCXIJASA-N 1 3 361.917 2.932 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NC/C=C/c3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001499230904 1058271379 /nfs/dbraw/zinc/27/13/79/1058271379.db2.gz MTWNRSXDWXDJIS-UIXCXIJASA-N 1 3 361.917 2.932 20 0 FFADHO CCN(CCNC(=O)c1ccc(C[NH+]2CCCC2)o1)CCC(F)(F)F ZINC001447639680 1058682497 /nfs/dbraw/zinc/68/24/97/1058682497.db2.gz KGEZBUWKEGTMLO-UHFFFAOYSA-N 1 3 361.408 2.880 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCn1c(C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001546645857 1071850925 /nfs/dbraw/zinc/85/09/25/1071850925.db2.gz UWJVTEJDBOQZII-GOSISDBHSA-N 1 3 362.566 2.772 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCn1c(C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001546645857 1071850940 /nfs/dbraw/zinc/85/09/40/1071850940.db2.gz UWJVTEJDBOQZII-GOSISDBHSA-N 1 3 362.566 2.772 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@]4(CC4(F)F)C3)CC2)CC1 ZINC000848245813 1059469529 /nfs/dbraw/zinc/46/95/29/1059469529.db2.gz PVEHBTHIUBIHTQ-IBGZPJMESA-N 1 3 369.500 2.831 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@H+]4C3)C2)c1 ZINC001454310581 1059496735 /nfs/dbraw/zinc/49/67/35/1059496735.db2.gz HRPOCJRXCYJOMG-PBASOCQRSA-N 1 3 355.526 2.806 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@@H+]4C3)C2)c1 ZINC001454310581 1059496745 /nfs/dbraw/zinc/49/67/45/1059496745.db2.gz HRPOCJRXCYJOMG-PBASOCQRSA-N 1 3 355.526 2.806 20 0 FFADHO CC(C)C[C@H](Cn1c(C2CC2)nnc1N1CCN(CC2CC2)CC1)[NH+](C)C ZINC001509108428 1060005553 /nfs/dbraw/zinc/00/55/53/1060005553.db2.gz AXSFSEADQKCYRT-LJQANCHMSA-N 1 3 374.577 2.664 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000848569155 1060291397 /nfs/dbraw/zinc/29/13/97/1060291397.db2.gz CKZLQPMBDLEUQM-FYZZASKESA-N 1 3 369.509 2.860 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000848569155 1060291405 /nfs/dbraw/zinc/29/14/05/1060291405.db2.gz CKZLQPMBDLEUQM-FYZZASKESA-N 1 3 369.509 2.860 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001521562330 1060970613 /nfs/dbraw/zinc/97/06/13/1060970613.db2.gz XOAWQYIHMPJGIX-AQNXPRMDSA-N 1 3 365.562 2.504 20 0 FFADHO COc1ccc(F)cc1CC[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462575439 1061677546 /nfs/dbraw/zinc/67/75/46/1061677546.db2.gz CWXYILMSJYJDON-UHFFFAOYSA-N 1 3 350.478 3.000 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)cc1 ZINC001528401024 1061893890 /nfs/dbraw/zinc/89/38/90/1061893890.db2.gz MODKYDMXJJHODR-MMTROXRISA-N 1 3 359.514 2.535 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)cc1 ZINC001528401024 1061893907 /nfs/dbraw/zinc/89/39/07/1061893907.db2.gz MODKYDMXJJHODR-MMTROXRISA-N 1 3 359.514 2.535 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001479487848 1062469682 /nfs/dbraw/zinc/46/96/82/1062469682.db2.gz AWDQHVHCNVFUIS-MAUKXSAKSA-N 1 3 358.461 2.783 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CC[C@H]1CC1(Cl)Cl ZINC001479640921 1062690810 /nfs/dbraw/zinc/69/08/10/1062690810.db2.gz DVVOWEQWCKHPLP-SOUVJXGZSA-N 1 3 364.361 2.881 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001479674581 1062798262 /nfs/dbraw/zinc/79/82/62/1062798262.db2.gz IXIRUZPRFMGBPQ-CVEARBPZSA-N 1 3 361.452 2.595 20 0 FFADHO Cc1cc(C)cc(OCCN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001479716383 1062896637 /nfs/dbraw/zinc/89/66/37/1062896637.db2.gz CENSQCDZRNQLAA-QUCCMNQESA-N 1 3 361.530 2.603 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cc(Cl)ccc2OC)CC[N@@H+]1C ZINC001498045165 1063789087 /nfs/dbraw/zinc/78/90/87/1063789087.db2.gz IVQSNLFTTLTKJI-RRQGHBQHSA-N 1 3 367.921 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cc(Cl)ccc2OC)CC[N@H+]1C ZINC001498045165 1063789100 /nfs/dbraw/zinc/78/91/00/1063789100.db2.gz IVQSNLFTTLTKJI-RRQGHBQHSA-N 1 3 367.921 2.673 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CC2CCC1CC2 ZINC001470676954 1064409150 /nfs/dbraw/zinc/40/91/50/1064409150.db2.gz KQDXVLGJYFMMBG-ZWCSJYCISA-N 1 3 352.567 2.772 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CC2CCC1CC2 ZINC001470676954 1064409155 /nfs/dbraw/zinc/40/91/55/1064409155.db2.gz KQDXVLGJYFMMBG-ZWCSJYCISA-N 1 3 352.567 2.772 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001470937355 1064496700 /nfs/dbraw/zinc/49/67/00/1064496700.db2.gz LPFYEAUUIZDTAK-LJQANCHMSA-N 1 3 353.470 2.531 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001470937355 1064496714 /nfs/dbraw/zinc/49/67/14/1064496714.db2.gz LPFYEAUUIZDTAK-LJQANCHMSA-N 1 3 353.470 2.531 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCN1C ZINC001471393662 1064661544 /nfs/dbraw/zinc/66/15/44/1064661544.db2.gz AYCUEZYTCSMHEC-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC001471393662 1064661551 /nfs/dbraw/zinc/66/15/51/1064661551.db2.gz AYCUEZYTCSMHEC-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)C1 ZINC001575141273 1078110790 /nfs/dbraw/zinc/11/07/90/1078110790.db2.gz WNBADMRVDHDTJD-DJJJIMSYSA-N 1 3 351.441 2.502 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC001575807368 1078169234 /nfs/dbraw/zinc/16/92/34/1078169234.db2.gz PWTHWPINLZMKLH-CXBBBEKBSA-N 1 3 359.514 2.749 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC001575807369 1078169504 /nfs/dbraw/zinc/16/95/04/1078169504.db2.gz PWTHWPINLZMKLH-GDCUJEKNSA-N 1 3 359.514 2.749 20 0 FFADHO CO[C@H](CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)[C@H]1CCOC1 ZINC001473718088 1065330091 /nfs/dbraw/zinc/33/00/91/1065330091.db2.gz DWJZAUPHLKYVOU-LRSLUSHPSA-N 1 3 358.526 2.882 20 0 FFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCC2([NH3+])CCOCC2)C1 ZINC001576216555 1078207005 /nfs/dbraw/zinc/20/70/05/1078207005.db2.gz KBUBBNAOOLBTTJ-HZPDHXFCSA-N 1 3 355.523 2.510 20 0 FFADHO CCOC[C@H]1CC[N@H+](Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001474373715 1065505252 /nfs/dbraw/zinc/50/52/52/1065505252.db2.gz QMIIBZVMWHZPFC-ZDUSSCGKSA-N 1 3 356.413 2.928 20 0 FFADHO CCOC[C@H]1CC[N@@H+](Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001474373715 1065505265 /nfs/dbraw/zinc/50/52/65/1065505265.db2.gz QMIIBZVMWHZPFC-ZDUSSCGKSA-N 1 3 356.413 2.928 20 0 FFADHO C[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC001576827101 1078278421 /nfs/dbraw/zinc/27/84/21/1078278421.db2.gz OLYKMMLVSPWTJZ-WMZOPIPTSA-N 1 3 370.545 2.677 20 0 FFADHO CC[C@H]([NH3+])Cn1c(-c2ccccc2C)nnc1N1CCN(CC2CC2)CC1 ZINC001577130942 1078307570 /nfs/dbraw/zinc/30/75/70/1078307570.db2.gz AOSIFWMMYRMZEY-SFHVURJKSA-N 1 3 368.529 2.523 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N(C)CCC[NH2+]C)c1ccc(Cl)cc1 ZINC001577495484 1078367668 /nfs/dbraw/zinc/36/76/68/1078367668.db2.gz MIVSNHYHJYBPFT-KRWDZBQOSA-N 1 3 354.926 2.974 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C)nnc1N1CC[C@@H]([NH2+]C)C1)c1ccsc1 ZINC001577685141 1078387721 /nfs/dbraw/zinc/38/77/21/1078387721.db2.gz TZTXCZXDUCIPJI-SJORKVTESA-N 1 3 362.547 2.529 20 0 FFADHO CC[NH+]1CCC(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC001578214409 1078452060 /nfs/dbraw/zinc/45/20/60/1078452060.db2.gz ACXMIVBGRPYRMO-UHFFFAOYSA-N 1 3 352.486 2.688 20 0 FFADHO CC[NH+]1CCC(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC001578214409 1078452063 /nfs/dbraw/zinc/45/20/63/1078452063.db2.gz ACXMIVBGRPYRMO-UHFFFAOYSA-N 1 3 352.486 2.688 20 0 FFADHO CC[NH+]1CCC(C[N@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC001578214409 1078452067 /nfs/dbraw/zinc/45/20/67/1078452067.db2.gz ACXMIVBGRPYRMO-UHFFFAOYSA-N 1 3 352.486 2.688 20 0 FFADHO CC[NH+]1CCC(C[N@@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC001578214409 1078452071 /nfs/dbraw/zinc/45/20/71/1078452071.db2.gz ACXMIVBGRPYRMO-UHFFFAOYSA-N 1 3 352.486 2.688 20 0 FFADHO COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC001578789950 1078529857 /nfs/dbraw/zinc/52/98/57/1078529857.db2.gz QOAREGBMMVORBO-FUPFEQNASA-N 1 3 360.473 2.696 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@]23CCC[NH2+]C3)N(C)C)cc1 ZINC001579667646 1078659328 /nfs/dbraw/zinc/65/93/28/1078659328.db2.gz PGAUPRYZVLEISR-PZJWPPBQSA-N 1 3 358.530 2.915 20 0 FFADHO Cc1nnc(N2CCC[C@H]([C@@H](C)[NH3+])C2)n1C[C@H](c1cccs1)N(C)C ZINC001579906477 1078712341 /nfs/dbraw/zinc/71/23/41/1078712341.db2.gz USIGAAKFRSWXFC-VNQPRFMTSA-N 1 3 362.547 2.515 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)C1 ZINC001580198063 1078763890 /nfs/dbraw/zinc/76/38/90/1078763890.db2.gz BZFZFDCVOXWREO-WIYYLYMNSA-N 1 3 352.482 2.862 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccnn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001548829077 1073453651 /nfs/dbraw/zinc/45/36/51/1073453651.db2.gz UONCXCHUYVDCIK-ROPHOZQPSA-N 1 3 354.498 2.750 20 0 FFADHO CCN1C(=O)C[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)[C@@H]1c1cccnc1 ZINC001549038803 1073607831 /nfs/dbraw/zinc/60/78/31/1073607831.db2.gz YTBLYSFBJONYJK-XLIONFOSSA-N 1 3 358.530 2.844 20 0 FFADHO CN1C(=O)C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@H]1c1ccncc1 ZINC001549189919 1073683166 /nfs/dbraw/zinc/68/31/66/1073683166.db2.gz VDPPGMHAPUQFII-PGRDOPGGSA-N 1 3 370.541 2.988 20 0 FFADHO C[C@H]1C[C@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@@H+]1C ZINC001549385077 1073782390 /nfs/dbraw/zinc/78/23/90/1073782390.db2.gz TWINBKJSEOUSKD-DLBZAZTESA-N 1 3 352.482 2.614 20 0 FFADHO C[C@H]1C[C@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@H+]1C ZINC001549385077 1073782395 /nfs/dbraw/zinc/78/23/95/1073782395.db2.gz TWINBKJSEOUSKD-DLBZAZTESA-N 1 3 352.482 2.614 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3cnn4c3CCCC4)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550353390 1074226009 /nfs/dbraw/zinc/22/60/09/1074226009.db2.gz LNIYLQZWEOTDDP-CZKYVTRISA-N 1 3 360.546 2.740 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@@H](C)c3cnn4c3CCCC4)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550353390 1074226012 /nfs/dbraw/zinc/22/60/12/1074226012.db2.gz LNIYLQZWEOTDDP-CZKYVTRISA-N 1 3 360.546 2.740 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cccc(NC(C)=O)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422584 1074261076 /nfs/dbraw/zinc/26/10/76/1074261076.db2.gz ABAKITKYTPQBNK-ANULTFPQSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cccc(NC(C)=O)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422584 1074261080 /nfs/dbraw/zinc/26/10/80/1074261080.db2.gz ABAKITKYTPQBNK-ANULTFPQSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(N4CCCC4)o3)C2)[C@H]1C(C)C ZINC001550423808 1074262177 /nfs/dbraw/zinc/26/21/77/1074262177.db2.gz RZEAOZGLEYCYRU-MMKMLUHNSA-N 1 3 361.530 2.839 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(N4CCCC4)o3)C2)[C@H]1C(C)C ZINC001550423808 1074262183 /nfs/dbraw/zinc/26/21/83/1074262183.db2.gz RZEAOZGLEYCYRU-MMKMLUHNSA-N 1 3 361.530 2.839 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnn(-c4ccccc4)c3)C2)[C@H]1C(C)C ZINC001550423352 1074262272 /nfs/dbraw/zinc/26/22/72/1074262272.db2.gz MALHVIJKGNOLJO-KJJMTIBFSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnn(-c4ccccc4)c3)C2)[C@H]1C(C)C ZINC001550423352 1074262275 /nfs/dbraw/zinc/26/22/75/1074262275.db2.gz MALHVIJKGNOLJO-KJJMTIBFSA-N 1 3 368.525 2.832 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2(C[NH3+])CC2)CC1 ZINC001550477553 1074292253 /nfs/dbraw/zinc/29/22/53/1074292253.db2.gz YPXWMUUMIDRUCT-UHFFFAOYSA-N 1 3 366.893 2.673 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3cnc(Cl)n3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550521721 1074330228 /nfs/dbraw/zinc/33/02/28/1074330228.db2.gz SZZWIJUMRRUZJH-UHOVARLQSA-N 1 3 354.926 2.594 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3cnc(Cl)n3C)[C@@H](O)C2)[C@H]1C(C)C ZINC001550521721 1074330236 /nfs/dbraw/zinc/33/02/36/1074330236.db2.gz SZZWIJUMRRUZJH-UHOVARLQSA-N 1 3 354.926 2.594 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC001550895393 1074521495 /nfs/dbraw/zinc/52/14/95/1074521495.db2.gz MKQKVUFQENIPJK-CBBWQLFWSA-N 1 3 361.452 2.590 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC001550895393 1074521503 /nfs/dbraw/zinc/52/15/03/1074521503.db2.gz MKQKVUFQENIPJK-CBBWQLFWSA-N 1 3 361.452 2.590 20 0 FFADHO Cn1c(Cl)nc(Cl)c1CNC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551237515 1074657876 /nfs/dbraw/zinc/65/78/76/1074657876.db2.gz PKRYSQHVYYTDPC-UHFFFAOYSA-N 1 3 361.317 2.850 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC001551238423 1074658728 /nfs/dbraw/zinc/65/87/28/1074658728.db2.gz SDHGJTUPMLXTJO-UHFFFAOYSA-N 1 3 358.530 2.674 20 0 FFADHO Fc1cc(F)cc(O[C@@H]2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)c1 ZINC001551396475 1074715288 /nfs/dbraw/zinc/71/52/88/1074715288.db2.gz IFONRMNIZGHGOW-AEFFLSMTSA-N 1 3 352.425 2.577 20 0 FFADHO C[C@H]1CCN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CCN1Cc1ccccc1 ZINC001551550491 1074754368 /nfs/dbraw/zinc/75/43/68/1074754368.db2.gz NCDWPHUZVIXMEW-DOLPWQRDSA-N 1 3 370.541 2.952 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC001551575751 1074760572 /nfs/dbraw/zinc/76/05/72/1074760572.db2.gz ZFMLPOYHZCYAJS-LIEGOMBTSA-N 1 3 356.514 2.781 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552149816 1075003006 /nfs/dbraw/zinc/00/30/06/1075003006.db2.gz IPWLVKVNOXZZQG-NHCUHLMSSA-N 1 3 355.526 2.665 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC001552152145 1075003798 /nfs/dbraw/zinc/00/37/98/1075003798.db2.gz DGVPDEZUDCRODD-HKBOAZHASA-N 1 3 355.526 2.884 20 0 FFADHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC001553199479 1075255549 /nfs/dbraw/zinc/25/55/49/1075255549.db2.gz CZHCLGRQKVMTDT-XNTOXWQXSA-N 1 3 370.541 2.804 20 0 FFADHO CN(C)C(=O)c1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)[nH]1 ZINC001560298756 1076261857 /nfs/dbraw/zinc/26/18/57/1076261857.db2.gz RLERXLLRIRNSTN-GOSISDBHSA-N 1 3 354.498 2.718 20 0 FFADHO C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C[C@]2(C)C1 ZINC001564076515 1076603255 /nfs/dbraw/zinc/60/32/55/1076603255.db2.gz ATSQAILZQGBFPP-URVUXULASA-N 1 3 370.541 2.807 20 0 FFADHO C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C[C@]2(C)C1 ZINC001564076515 1076603258 /nfs/dbraw/zinc/60/32/58/1076603258.db2.gz ATSQAILZQGBFPP-URVUXULASA-N 1 3 370.541 2.807 20 0 FFADHO C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C[C@]2(C)C1 ZINC001564076514 1076603339 /nfs/dbraw/zinc/60/33/39/1076603339.db2.gz ATSQAILZQGBFPP-SJBKTWHCSA-N 1 3 370.541 2.807 20 0 FFADHO C[N@H+]1C[C@@H]2CN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C[C@]2(C)C1 ZINC001564076514 1076603344 /nfs/dbraw/zinc/60/33/44/1076603344.db2.gz ATSQAILZQGBFPP-SJBKTWHCSA-N 1 3 370.541 2.807 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CCN1Cc1ccccc1 ZINC001564881576 1076667171 /nfs/dbraw/zinc/66/71/71/1076667171.db2.gz XLTUPXLJFSHQHP-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CCN1Cc1ccccc1 ZINC001564881576 1076667173 /nfs/dbraw/zinc/66/71/73/1076667173.db2.gz XLTUPXLJFSHQHP-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCN(C)C1 ZINC001565195494 1076696030 /nfs/dbraw/zinc/69/60/30/1076696030.db2.gz BHDSYSCHOHTYHC-HMXCVIKNSA-N 1 3 372.557 2.880 20 0 FFADHO CCCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCN(C)C1 ZINC001565195494 1076696032 /nfs/dbraw/zinc/69/60/32/1076696032.db2.gz BHDSYSCHOHTYHC-HMXCVIKNSA-N 1 3 372.557 2.880 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC001565434602 1076729031 /nfs/dbraw/zinc/72/90/31/1076729031.db2.gz MRRVTKWQHDZRJG-FQEVSTJZSA-N 1 3 360.546 2.677 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1)N1CCCC1 ZINC001565904652 1076791671 /nfs/dbraw/zinc/79/16/71/1076791671.db2.gz LBGWJPNGXNQSPJ-RCCFBDPRSA-N 1 3 365.562 2.550 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC001565909577 1076795184 /nfs/dbraw/zinc/79/51/84/1076795184.db2.gz KOHUTTACFUVWHL-WMQCIHAUSA-N 1 3 357.542 2.890 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1)[NH+]1CCCCCC1 ZINC001565910082 1076795819 /nfs/dbraw/zinc/79/58/19/1076795819.db2.gz GCVNICULZWEFOB-YESZJQIVSA-N 1 3 364.559 2.782 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1)[NH+](CC)CC ZINC001565973344 1076821414 /nfs/dbraw/zinc/82/14/14/1076821414.db2.gz XWYUHUNOONNSEH-YZGWKJHDSA-N 1 3 360.546 2.919 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001566055297 1076883398 /nfs/dbraw/zinc/88/33/98/1076883398.db2.gz RRTNNWBEHHCHRF-UXHICEINSA-N 1 3 370.541 2.628 20 0 FFADHO C[C@@H](C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)NC(=O)CN(C)C1CCC1 ZINC001569061872 1077126556 /nfs/dbraw/zinc/12/65/56/1077126556.db2.gz MRVADNYQTTWGCR-FNHZYXHNSA-N 1 3 365.468 2.614 20 0 FFADHO Cc1cc(N2CC[C@H](N[C@@H](C)CCCC[NH3+])C2=O)ccc1Br ZINC000423050397 514019576 /nfs/dbraw/zinc/01/95/76/514019576.db2.gz LWRLUCAPOXBMJA-BBRMVZONSA-N 1 3 368.319 2.970 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1cccs1 ZINC000092821527 250005315 /nfs/dbraw/zinc/00/53/15/250005315.db2.gz DTDNQFOCAHQOQG-UHFFFAOYSA-N 1 3 372.538 2.998 20 0 FFADHO C[C@H]1CCC[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000101994361 250096821 /nfs/dbraw/zinc/09/68/21/250096821.db2.gz XZFDSHPSMPPLEB-DLBZAZTESA-N 1 3 350.551 2.671 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000103320488 250146345 /nfs/dbraw/zinc/14/63/45/250146345.db2.gz DVSFGZTXIMQWQH-UHFFFAOYSA-N 1 3 358.530 2.636 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000105209308 250204006 /nfs/dbraw/zinc/20/40/06/250204006.db2.gz KQOLOOUEHFGALM-QGZVFWFLSA-N 1 3 364.559 2.601 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)N(C)C ZINC000106917194 250300762 /nfs/dbraw/zinc/30/07/62/250300762.db2.gz FLTTXMXLNKOBGR-IBGZPJMESA-N 1 3 364.509 2.881 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000131977388 251034897 /nfs/dbraw/zinc/03/48/97/251034897.db2.gz NTLWXQRZKOYRSD-MSOLQXFVSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000131977388 251034901 /nfs/dbraw/zinc/03/49/01/251034901.db2.gz NTLWXQRZKOYRSD-MSOLQXFVSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C ZINC000173568383 251208154 /nfs/dbraw/zinc/20/81/54/251208154.db2.gz BBUJTJPALJOHEQ-YLJYHZDGSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc2c(c1)COC2 ZINC000268788107 251383684 /nfs/dbraw/zinc/38/36/84/251383684.db2.gz FNAMMJVGQYBTBV-SFHVURJKSA-N 1 3 366.509 2.975 20 0 FFADHO OCC[C@@H](NC/C=C/C[NH2+][C@H](CCO)c1ccccc1)c1ccccc1 ZINC000271738088 251866438 /nfs/dbraw/zinc/86/64/38/251866438.db2.gz HZMKSSLVYBCOFO-BWQMBOKRSA-N 1 3 354.494 2.969 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272319562 252007962 /nfs/dbraw/zinc/00/79/62/252007962.db2.gz TZFWHESPMJQKJS-MJGOQNOKSA-N 1 3 374.529 2.965 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272438735 252037962 /nfs/dbraw/zinc/03/79/62/252037962.db2.gz KQNLAJMUYDNWAQ-XLIONFOSSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272688954 252102670 /nfs/dbraw/zinc/10/26/70/252102670.db2.gz CABXEJHOWLRHBO-QUCCMNQESA-N 1 3 370.541 2.501 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272688954 252102672 /nfs/dbraw/zinc/10/26/72/252102672.db2.gz CABXEJHOWLRHBO-QUCCMNQESA-N 1 3 370.541 2.501 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272774118 252126457 /nfs/dbraw/zinc/12/64/57/252126457.db2.gz QNKWQNWBILHTJH-UEXGIBASSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272774118 252126462 /nfs/dbraw/zinc/12/64/62/252126462.db2.gz QNKWQNWBILHTJH-UEXGIBASSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000272711060 252109797 /nfs/dbraw/zinc/10/97/97/252109797.db2.gz HRWAJYFYPPEWGI-BBTUJRGHSA-N 1 3 370.541 2.989 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000272711060 252109801 /nfs/dbraw/zinc/10/98/01/252109801.db2.gz HRWAJYFYPPEWGI-BBTUJRGHSA-N 1 3 370.541 2.989 20 0 FFADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272720717 252112072 /nfs/dbraw/zinc/11/20/72/252112072.db2.gz JAAREEKNYMQQRK-IRXDYDNUSA-N 1 3 371.529 2.557 20 0 FFADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272720717 252112075 /nfs/dbraw/zinc/11/20/75/252112075.db2.gz JAAREEKNYMQQRK-IRXDYDNUSA-N 1 3 371.529 2.557 20 0 FFADHO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272949518 252173079 /nfs/dbraw/zinc/17/30/79/252173079.db2.gz MPFAUAKDMLMJCD-QUCCMNQESA-N 1 3 370.541 2.800 20 0 FFADHO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272949518 252173084 /nfs/dbraw/zinc/17/30/84/252173084.db2.gz MPFAUAKDMLMJCD-QUCCMNQESA-N 1 3 370.541 2.800 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000278224013 256289791 /nfs/dbraw/zinc/28/97/91/256289791.db2.gz SMYJKUVCDSYNCJ-WOJBJXKFSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000278508052 256320408 /nfs/dbraw/zinc/32/04/08/256320408.db2.gz RBTQDBWIKLYRJT-PKOBYXMFSA-N 1 3 371.529 2.680 20 0 FFADHO O=C(Nc1cccc(CN2CCCCC2)c1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000279008975 256371586 /nfs/dbraw/zinc/37/15/86/256371586.db2.gz NDRCGCSUENKNGD-MRXNPFEDSA-N 1 3 353.470 2.725 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000287142634 257074085 /nfs/dbraw/zinc/07/40/85/257074085.db2.gz NSSREBZGWBJKLR-GOSISDBHSA-N 1 3 350.482 2.600 20 0 FFADHO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000287876674 257124627 /nfs/dbraw/zinc/12/46/27/257124627.db2.gz GGWFYCNWFBUTHT-VNVJMFPYSA-N 1 3 358.530 2.992 20 0 FFADHO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000287876674 257124629 /nfs/dbraw/zinc/12/46/29/257124629.db2.gz GGWFYCNWFBUTHT-VNVJMFPYSA-N 1 3 358.530 2.992 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CNCc3cnc([C@@H](C)O)s3)cc2)CC1 ZINC000289338199 257275456 /nfs/dbraw/zinc/27/54/56/257275456.db2.gz VUJMZGKJPOVMMD-MRXNPFEDSA-N 1 3 374.554 2.624 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(OCC(F)F)cc1 ZINC000289454079 257282238 /nfs/dbraw/zinc/28/22/38/257282238.db2.gz NPCNMWDTPRFIHM-UHFFFAOYSA-N 1 3 355.473 2.788 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000289697043 257294419 /nfs/dbraw/zinc/29/44/19/257294419.db2.gz FXDZKAJOUGBPOV-UHFFFAOYSA-N 1 3 359.493 2.674 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccsc1 ZINC000291629745 257413915 /nfs/dbraw/zinc/41/39/15/257413915.db2.gz LIGNBMFWLXCWFX-IEBWSBKVSA-N 1 3 364.559 2.868 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccsc1 ZINC000291629745 257413916 /nfs/dbraw/zinc/41/39/16/257413916.db2.gz LIGNBMFWLXCWFX-IEBWSBKVSA-N 1 3 364.559 2.868 20 0 FFADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297592266 257845686 /nfs/dbraw/zinc/84/56/86/257845686.db2.gz JHRMGKONFSBSKL-KRWDZBQOSA-N 1 3 373.522 2.811 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000311264830 258115680 /nfs/dbraw/zinc/11/56/80/258115680.db2.gz AFSGUFSBUGJNLB-VSZNYVQBSA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000311264830 258115681 /nfs/dbraw/zinc/11/56/81/258115681.db2.gz AFSGUFSBUGJNLB-VSZNYVQBSA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000311264830 258115682 /nfs/dbraw/zinc/11/56/82/258115682.db2.gz AFSGUFSBUGJNLB-VSZNYVQBSA-N 1 3 367.534 2.617 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377430658 512265785 /nfs/dbraw/zinc/26/57/85/512265785.db2.gz ULRGPFMPCIMSGX-AQNXPRMDSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377430658 512265786 /nfs/dbraw/zinc/26/57/86/512265786.db2.gz ULRGPFMPCIMSGX-AQNXPRMDSA-N 1 3 356.514 2.750 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000054510985 506570909 /nfs/dbraw/zinc/57/09/09/506570909.db2.gz GVKHAHLNNOBXIW-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000054510985 506570913 /nfs/dbraw/zinc/57/09/13/506570913.db2.gz GVKHAHLNNOBXIW-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCC[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000043111826 506702126 /nfs/dbraw/zinc/70/21/26/506702126.db2.gz SEZWEPUKOJAXIQ-FQEVSTJZSA-N 1 3 374.529 2.617 20 0 FFADHO CC[NH+]1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000367010834 512295138 /nfs/dbraw/zinc/29/51/38/512295138.db2.gz TVXSHDTUBJYNAA-GOSISDBHSA-N 1 3 365.468 2.744 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000067012608 506725988 /nfs/dbraw/zinc/72/59/88/506725988.db2.gz WAZVVINHPSRIHW-FPOVZHCZSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000067012608 506725990 /nfs/dbraw/zinc/72/59/90/506725990.db2.gz WAZVVINHPSRIHW-FPOVZHCZSA-N 1 3 372.557 2.725 20 0 FFADHO CN1CCC(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000067381974 506854676 /nfs/dbraw/zinc/85/46/76/506854676.db2.gz FJNVDZPKGCIHNE-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000067381974 506854684 /nfs/dbraw/zinc/85/46/84/506854684.db2.gz FJNVDZPKGCIHNE-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000045191360 506930668 /nfs/dbraw/zinc/93/06/68/506930668.db2.gz JZDIBKGDOXFSKA-GOSISDBHSA-N 1 3 358.530 2.814 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000047105578 507266757 /nfs/dbraw/zinc/26/67/57/507266757.db2.gz BELHPSXCCXULRX-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000047105578 507266763 /nfs/dbraw/zinc/26/67/63/507266763.db2.gz BELHPSXCCXULRX-VQTJNVASSA-N 1 3 356.514 2.531 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000048214380 507480239 /nfs/dbraw/zinc/48/02/39/507480239.db2.gz UTSNCIUMLVXYHI-UHFFFAOYSA-N 1 3 358.530 2.954 20 0 FFADHO Cc1ccccc1OCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799501 507713117 /nfs/dbraw/zinc/71/31/17/507713117.db2.gz AGKQIARVVXRJDG-UHFFFAOYSA-N 1 3 373.541 2.829 20 0 FFADHO Cc1ccc(C[C@H]2CCCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000051063269 507734627 /nfs/dbraw/zinc/73/46/27/507734627.db2.gz CKBMJNNDJSJIKK-HXUWFJFHSA-N 1 3 369.553 2.993 20 0 FFADHO C[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000051758344 507783492 /nfs/dbraw/zinc/78/34/92/507783492.db2.gz BUEFZURIGNZAJU-GPMSIDNRSA-N 1 3 350.551 2.669 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1 ZINC000078434244 507870795 /nfs/dbraw/zinc/87/07/95/507870795.db2.gz UJNDIQSFAONNAM-SFTDATJTSA-N 1 3 368.525 2.761 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CC[NH+](C)CC1 ZINC000073108516 507894546 /nfs/dbraw/zinc/89/45/46/507894546.db2.gz DMDNDAJNCDMULZ-UHFFFAOYSA-N 1 3 371.447 2.937 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000108550905 507903073 /nfs/dbraw/zinc/90/30/73/507903073.db2.gz AWRSNNDGPOJTQY-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000108567995 507905635 /nfs/dbraw/zinc/90/56/35/507905635.db2.gz SRXVAKFVWKMMSB-QUCCMNQESA-N 1 3 358.530 2.773 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000108567995 507905639 /nfs/dbraw/zinc/90/56/39/507905639.db2.gz SRXVAKFVWKMMSB-QUCCMNQESA-N 1 3 358.530 2.773 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521744 507925603 /nfs/dbraw/zinc/92/56/03/507925603.db2.gz JDZSOISEWHVZQI-GVDBMIGSSA-N 1 3 372.431 2.953 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521744 507925605 /nfs/dbraw/zinc/92/56/05/507925605.db2.gz JDZSOISEWHVZQI-GVDBMIGSSA-N 1 3 372.431 2.953 20 0 FFADHO CCC(CC)[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCCC1 ZINC000079066233 507929976 /nfs/dbraw/zinc/92/99/76/507929976.db2.gz NXEHLSGSUXWCCO-IBGZPJMESA-N 1 3 350.551 2.813 20 0 FFADHO c1ccc(CC[NH+]2CCC(N[C@@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000090802967 507936908 /nfs/dbraw/zinc/93/69/08/507936908.db2.gz LRHCOSSVVSIESL-OAQYLSRUSA-N 1 3 350.510 2.957 20 0 FFADHO O=C(NCC[NH+]1CCCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000079224261 507946699 /nfs/dbraw/zinc/94/66/99/507946699.db2.gz ZUKWSFPZEAOCRG-INIZCTEOSA-N 1 3 350.532 2.670 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(C)C(F)(F)F)cc1 ZINC000079452444 507963465 /nfs/dbraw/zinc/96/34/65/507963465.db2.gz UQZSUWNYADZRID-LBPRGKRZSA-N 1 3 359.392 2.895 20 0 FFADHO C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000074099193 507985673 /nfs/dbraw/zinc/98/56/73/507985673.db2.gz NBPRHFIOYMSWNK-MJGOQNOKSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000074099193 507985676 /nfs/dbraw/zinc/98/56/76/507985676.db2.gz NBPRHFIOYMSWNK-MJGOQNOKSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080063478 508032838 /nfs/dbraw/zinc/03/28/38/508032838.db2.gz CPEJLGJMRLPXCY-YLJYHZDGSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080063478 508032840 /nfs/dbraw/zinc/03/28/40/508032840.db2.gz CPEJLGJMRLPXCY-YLJYHZDGSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CCN2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165546 508046190 /nfs/dbraw/zinc/04/61/90/508046190.db2.gz WCCMKTIAGJAAKR-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CCN2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080165546 508046193 /nfs/dbraw/zinc/04/61/93/508046193.db2.gz WCCMKTIAGJAAKR-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074853601 508062406 /nfs/dbraw/zinc/06/24/06/508062406.db2.gz AERWNQDEXDBRSK-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074853601 508062409 /nfs/dbraw/zinc/06/24/09/508062409.db2.gz AERWNQDEXDBRSK-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC(CC[NH+](C)C)CC1 ZINC000092381143 508066596 /nfs/dbraw/zinc/06/65/96/508066596.db2.gz ZPLUICYWAOVMTC-UHFFFAOYSA-N 1 3 364.534 2.615 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000074876053 508066845 /nfs/dbraw/zinc/06/68/45/508066845.db2.gz GEJTXLIFUUVJKM-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000074876053 508066848 /nfs/dbraw/zinc/06/68/48/508066848.db2.gz GEJTXLIFUUVJKM-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081289865 508156637 /nfs/dbraw/zinc/15/66/37/508156637.db2.gz HJKIMEQIRYMAHT-GOSISDBHSA-N 1 3 359.514 2.621 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081289865 508156639 /nfs/dbraw/zinc/15/66/39/508156639.db2.gz HJKIMEQIRYMAHT-GOSISDBHSA-N 1 3 359.514 2.621 20 0 FFADHO CCC(=O)Nc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000101518453 508242256 /nfs/dbraw/zinc/24/22/56/508242256.db2.gz ZSPRXYBROYWYOM-LJQANCHMSA-N 1 3 374.529 2.523 20 0 FFADHO CCC(=O)Nc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000101518453 508242257 /nfs/dbraw/zinc/24/22/57/508242257.db2.gz ZSPRXYBROYWYOM-LJQANCHMSA-N 1 3 374.529 2.523 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076993842 508272243 /nfs/dbraw/zinc/27/22/43/508272243.db2.gz SRFUNXCYIRRDJJ-KBPBESRZSA-N 1 3 355.885 2.534 20 0 FFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000114503822 508323274 /nfs/dbraw/zinc/32/32/74/508323274.db2.gz IGWALAXPXRPUBE-ZBFHGGJFSA-N 1 3 352.486 2.913 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000105128652 508362656 /nfs/dbraw/zinc/36/26/56/508362656.db2.gz KPQZNRVXEDBBNU-IBGZPJMESA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000105128652 508362658 /nfs/dbraw/zinc/36/26/58/508362658.db2.gz KPQZNRVXEDBBNU-IBGZPJMESA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[N@H+](C)C1CC1 ZINC000105264689 508367510 /nfs/dbraw/zinc/36/75/10/508367510.db2.gz RVJGGANZGNVYAK-CQSZACIVSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[N@@H+](C)C1CC1 ZINC000105264689 508367511 /nfs/dbraw/zinc/36/75/11/508367511.db2.gz RVJGGANZGNVYAK-CQSZACIVSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000077804604 508376973 /nfs/dbraw/zinc/37/69/73/508376973.db2.gz QESCBIWJXLCSNX-QZTJIDSGSA-N 1 3 360.546 2.915 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000077824864 508380656 /nfs/dbraw/zinc/38/06/56/508380656.db2.gz QHRAMZOJRODSSW-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000077824864 508380658 /nfs/dbraw/zinc/38/06/58/508380658.db2.gz QHRAMZOJRODSSW-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000115636449 508419841 /nfs/dbraw/zinc/41/98/41/508419841.db2.gz HTLVZEQQOUEHPA-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000115636449 508419844 /nfs/dbraw/zinc/41/98/44/508419844.db2.gz HTLVZEQQOUEHPA-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115807943 508440023 /nfs/dbraw/zinc/44/00/23/508440023.db2.gz NEMYLUVRPULQKP-KZNAEPCWSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1CCC[C@H](N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000127491078 508458692 /nfs/dbraw/zinc/45/86/92/508458692.db2.gz XMABIPRELRFOEN-APWZRJJASA-N 1 3 350.551 2.765 20 0 FFADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000122551370 508552826 /nfs/dbraw/zinc/55/28/26/508552826.db2.gz OYEYFMRCHYYPOT-HNNXBMFYSA-N 1 3 363.502 2.885 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000157877570 508625645 /nfs/dbraw/zinc/62/56/45/508625645.db2.gz SPOBROUDECTLSG-IRXDYDNUSA-N 1 3 367.559 2.900 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000157877570 508625649 /nfs/dbraw/zinc/62/56/49/508625649.db2.gz SPOBROUDECTLSG-IRXDYDNUSA-N 1 3 367.559 2.900 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000123037713 508625946 /nfs/dbraw/zinc/62/59/46/508625946.db2.gz ZGSRJQKOGOJLLB-MJGOQNOKSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000123037713 508625950 /nfs/dbraw/zinc/62/59/50/508625950.db2.gz ZGSRJQKOGOJLLB-MJGOQNOKSA-N 1 3 362.562 2.909 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3OC3CCC3)CC2)CC1 ZINC000118323848 508647038 /nfs/dbraw/zinc/64/70/38/508647038.db2.gz IAQHAHTZIPSPNK-UHFFFAOYSA-N 1 3 371.525 2.906 20 0 FFADHO COc1cccc(CNC(=O)[C@@H](C)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123203038 508651798 /nfs/dbraw/zinc/65/17/98/508651798.db2.gz ASYVEDPHFJFVIX-QGZVFWFLSA-N 1 3 361.530 2.754 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000158707336 508742260 /nfs/dbraw/zinc/74/22/60/508742260.db2.gz SFWXFJBGCGEWNL-UHFFFAOYSA-N 1 3 364.534 2.926 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000139531080 508790140 /nfs/dbraw/zinc/79/01/40/508790140.db2.gz VWVSVJHECGBLFG-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000139531080 508790144 /nfs/dbraw/zinc/79/01/44/508790144.db2.gz VWVSVJHECGBLFG-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO CCN1CC[C@@H]([NH2+]CCCN2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000124538505 508848097 /nfs/dbraw/zinc/84/80/97/508848097.db2.gz ZBJFREPEPBYPBS-IFMALSPDSA-N 1 3 358.574 2.827 20 0 FFADHO C[C@H](NCCNC(=O)c1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000130908635 508864159 /nfs/dbraw/zinc/86/41/59/508864159.db2.gz BHMSYIQITKGYSI-INIZCTEOSA-N 1 3 373.472 2.847 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000155246979 508957417 /nfs/dbraw/zinc/95/74/17/508957417.db2.gz ULAUPZJNESAQSB-PXNSSMCTSA-N 1 3 373.541 2.875 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCN(C)C[C@@H]3C)CC2)c1 ZINC000125329704 508966514 /nfs/dbraw/zinc/96/65/14/508966514.db2.gz PUCBFTRCYLSXMW-UNMCSNQZSA-N 1 3 358.574 2.827 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCC(C)(C)C[NH+](C)C)c1 ZINC000120421747 508992423 /nfs/dbraw/zinc/99/24/23/508992423.db2.gz AFORIPVUTZKRLZ-AWEZNQCLSA-N 1 3 351.491 2.598 20 0 FFADHO C[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000155422264 508997832 /nfs/dbraw/zinc/99/78/32/508997832.db2.gz GQCFHOBFZLTYSU-ZWKOTPCHSA-N 1 3 358.530 2.988 20 0 FFADHO C[C@H](C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)CN1CCCCC1 ZINC000125603108 509005293 /nfs/dbraw/zinc/00/52/93/509005293.db2.gz CUDFWMUCENGELF-HZPDHXFCSA-N 1 3 353.532 2.831 20 0 FFADHO Cc1cnc(-c2cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)o1 ZINC000132290559 509010816 /nfs/dbraw/zinc/01/08/16/509010816.db2.gz VRLIYABBANEBLN-UHFFFAOYSA-N 1 3 359.474 2.607 20 0 FFADHO CC[C@@H](c1ccncc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000125671687 509014351 /nfs/dbraw/zinc/01/43/51/509014351.db2.gz FCLDIDODLHHICD-FQEVSTJZSA-N 1 3 373.545 2.733 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000155608851 509036567 /nfs/dbraw/zinc/03/65/67/509036567.db2.gz ZWZQKBDVWKJGMZ-LSDHHAIUSA-N 1 3 371.472 2.973 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000132786711 509075217 /nfs/dbraw/zinc/07/52/17/509075217.db2.gz BMPCSXZJXSJGDD-KRWDZBQOSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000132786711 509075219 /nfs/dbraw/zinc/07/52/19/509075219.db2.gz BMPCSXZJXSJGDD-KRWDZBQOSA-N 1 3 373.545 2.781 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000120933255 509091454 /nfs/dbraw/zinc/09/14/54/509091454.db2.gz LNKDHWPNLWHYBA-MSOLQXFVSA-N 1 3 355.530 2.715 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000151893396 509105984 /nfs/dbraw/zinc/10/59/84/509105984.db2.gz FJGIFIDVGYULBO-UGESXGAOSA-N 1 3 358.574 2.684 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000175961005 509238713 /nfs/dbraw/zinc/23/87/13/509238713.db2.gz MULMMRNZPOZOIX-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000175961005 509238723 /nfs/dbraw/zinc/23/87/23/509238723.db2.gz MULMMRNZPOZOIX-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO C[C@@H](NCCNC(=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000162505437 509239560 /nfs/dbraw/zinc/23/95/60/509239560.db2.gz MSXGLWVKIBNPLE-QGZVFWFLSA-N 1 3 355.482 2.708 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248146592 509247395 /nfs/dbraw/zinc/24/73/95/509247395.db2.gz ZTHOHIOIYDQPAB-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248146592 509247405 /nfs/dbraw/zinc/24/74/05/509247405.db2.gz ZTHOHIOIYDQPAB-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661896 509291278 /nfs/dbraw/zinc/29/12/78/509291278.db2.gz QMZUASLJRPJMLD-BQFCYCMXSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@H](O)COc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661896 509291281 /nfs/dbraw/zinc/29/12/81/509291281.db2.gz QMZUASLJRPJMLD-BQFCYCMXSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000185661896 509291283 /nfs/dbraw/zinc/29/12/83/509291283.db2.gz QMZUASLJRPJMLD-BQFCYCMXSA-N 1 3 350.478 2.808 20 0 FFADHO OCC[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000248406217 509301856 /nfs/dbraw/zinc/30/18/56/509301856.db2.gz SDAUPUPZPKZAAE-CIAFKFPVSA-N 1 3 358.526 2.666 20 0 FFADHO O=C(CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)N1CCc2ccccc2C1 ZINC000189049977 509387881 /nfs/dbraw/zinc/38/78/81/509387881.db2.gz LLESWQSROVESJH-IBGZPJMESA-N 1 3 355.526 2.769 20 0 FFADHO O=C(CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)N1CCc2ccccc2C1 ZINC000189049977 509387889 /nfs/dbraw/zinc/38/78/89/509387889.db2.gz LLESWQSROVESJH-IBGZPJMESA-N 1 3 355.526 2.769 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000192229399 509418323 /nfs/dbraw/zinc/41/83/23/509418323.db2.gz AHVNNMPZUMUOGY-OAQYLSRUSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182846971 509456317 /nfs/dbraw/zinc/45/63/17/509456317.db2.gz AIPCMWYNIDDONB-SJLPKXTDSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182846971 509456322 /nfs/dbraw/zinc/45/63/22/509456322.db2.gz AIPCMWYNIDDONB-SJLPKXTDSA-N 1 3 350.551 2.623 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000179467727 509460130 /nfs/dbraw/zinc/46/01/30/509460130.db2.gz SYBWGNAUJYTZEQ-HOJAQTOUSA-N 1 3 356.514 2.559 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000179467738 509460573 /nfs/dbraw/zinc/46/05/73/509460573.db2.gz SYBWGNAUJYTZEQ-RLLQIKCJSA-N 1 3 356.514 2.559 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176449763 509518226 /nfs/dbraw/zinc/51/82/26/509518226.db2.gz IHRHJBYUHMUZGZ-APAFKAMOSA-N 1 3 350.551 2.621 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176449763 509518233 /nfs/dbraw/zinc/51/82/33/509518233.db2.gz IHRHJBYUHMUZGZ-APAFKAMOSA-N 1 3 350.551 2.621 20 0 FFADHO COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C2 ZINC000192447620 509521212 /nfs/dbraw/zinc/52/12/12/509521212.db2.gz GUOXIJRUKWPCEV-SFTDATJTSA-N 1 3 366.505 2.909 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000236922941 509533684 /nfs/dbraw/zinc/53/36/84/509533684.db2.gz OFUPYEXSQBMQNO-KXBFYZLASA-N 1 3 355.486 2.815 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000236973814 509544326 /nfs/dbraw/zinc/54/43/26/509544326.db2.gz ZNFMQPBVTVEVFA-UHFFFAOYSA-N 1 3 367.493 2.887 20 0 FFADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000237094208 509569571 /nfs/dbraw/zinc/56/95/71/509569571.db2.gz FOZXFYVGGWHPPC-SFHVURJKSA-N 1 3 366.509 2.803 20 0 FFADHO CC[NH+]1CCC(CCN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173447545 509604283 /nfs/dbraw/zinc/60/42/83/509604283.db2.gz AOBBTXLRUKTMGR-INIZCTEOSA-N 1 3 367.559 2.710 20 0 FFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000237322654 509620932 /nfs/dbraw/zinc/62/09/32/509620932.db2.gz HDIKILPGTBLXQJ-BXWFABGCSA-N 1 3 363.571 2.861 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](CCc2ccccc2)[C@@H]2CCOC2)CC1 ZINC000192755062 509628962 /nfs/dbraw/zinc/62/89/62/509628962.db2.gz MMLJJFXDGLUYOG-JOCHJYFZSA-N 1 3 359.558 2.736 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)CC1 ZINC000192755062 509628966 /nfs/dbraw/zinc/62/89/66/509628966.db2.gz MMLJJFXDGLUYOG-JOCHJYFZSA-N 1 3 359.558 2.736 20 0 FFADHO OCC1(C[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000183154955 509630134 /nfs/dbraw/zinc/63/01/34/509630134.db2.gz XXUINEPLQRFTJG-HBMCJLEFSA-N 1 3 358.526 2.666 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000189608511 509662360 /nfs/dbraw/zinc/66/23/60/509662360.db2.gz DKXLCCWUAYTYBE-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1COc2ccccc21 ZINC000249380667 509664741 /nfs/dbraw/zinc/66/47/41/509664741.db2.gz ZVCMKEGRUMYBLF-PWIZWCRZSA-N 1 3 367.493 2.560 20 0 FFADHO C[C@@H](CC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237517396 509667239 /nfs/dbraw/zinc/66/72/39/509667239.db2.gz LDLZYEBQPANUQB-RBUKOAKNSA-N 1 3 372.557 2.573 20 0 FFADHO COc1c(C)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000179904614 509668561 /nfs/dbraw/zinc/66/85/61/509668561.db2.gz LSKYWFNJAGSQNN-UHFFFAOYSA-N 1 3 359.514 2.600 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000249431608 509678995 /nfs/dbraw/zinc/67/89/95/509678995.db2.gz JTHIMLIMYPBKKP-OTWHNJEPSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000268009347 509715751 /nfs/dbraw/zinc/71/57/51/509715751.db2.gz GHWOZHAUFWKQLW-SFHVURJKSA-N 1 3 364.534 2.865 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000268009347 509715759 /nfs/dbraw/zinc/71/57/59/509715759.db2.gz GHWOZHAUFWKQLW-SFHVURJKSA-N 1 3 364.534 2.865 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000173824574 509799965 /nfs/dbraw/zinc/79/99/65/509799965.db2.gz ICQUNEJDSSRAJT-CEXWTWQISA-N 1 3 352.567 2.867 20 0 FFADHO N[C@H](CC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000186618015 509804389 /nfs/dbraw/zinc/80/43/89/509804389.db2.gz NIEODOVWFZCYHA-WOJBJXKFSA-N 1 3 352.482 2.642 20 0 FFADHO N[C@@H](CC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000186618035 509804425 /nfs/dbraw/zinc/80/44/25/509804425.db2.gz NIEODOVWFZCYHA-UXHICEINSA-N 1 3 352.482 2.642 20 0 FFADHO CC(=O)NC1CCC([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000268323646 509870508 /nfs/dbraw/zinc/87/05/08/509870508.db2.gz GNLCAUDJXJLBEY-UHFFFAOYSA-N 1 3 372.557 2.754 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1 ZINC000173949520 509870605 /nfs/dbraw/zinc/87/06/05/509870605.db2.gz IIXGEVCTNMSWAZ-MRXNPFEDSA-N 1 3 372.517 2.696 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000177142820 509897915 /nfs/dbraw/zinc/89/79/15/509897915.db2.gz FALKVGKJASEITE-FUHWJXTLSA-N 1 3 359.514 2.762 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000183797814 509979732 /nfs/dbraw/zinc/97/97/32/509979732.db2.gz CPZIBTFOWRHSDD-MRXNPFEDSA-N 1 3 362.514 2.853 20 0 FFADHO CN(CCCc1nc(-c2ccccc2)no1)CC[N@H+](C)C1CCN(C)CC1 ZINC000177380728 510026220 /nfs/dbraw/zinc/02/62/20/510026220.db2.gz LCPMVAZZYIVULP-UHFFFAOYSA-N 1 3 371.529 2.627 20 0 FFADHO CN(CCCc1nc(-c2ccccc2)no1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177380728 510026229 /nfs/dbraw/zinc/02/62/29/510026229.db2.gz LCPMVAZZYIVULP-UHFFFAOYSA-N 1 3 371.529 2.627 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000245656769 510064503 /nfs/dbraw/zinc/06/45/03/510064503.db2.gz OJXHTPULJBZLFR-DXBWTPJFSA-N 1 3 358.530 2.851 20 0 FFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000174344983 510068551 /nfs/dbraw/zinc/06/85/51/510068551.db2.gz YIIMDYQDFKETHC-NRFANRHFSA-N 1 3 368.525 2.554 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261819421 510076657 /nfs/dbraw/zinc/07/66/57/510076657.db2.gz OBHRJDSUABMMGK-GOSISDBHSA-N 1 3 359.489 2.640 20 0 FFADHO O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261826083 510079334 /nfs/dbraw/zinc/07/93/34/510079334.db2.gz MXEINIKGQAODPK-SIKLNZKXSA-N 1 3 355.526 2.891 20 0 FFADHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261889654 510102574 /nfs/dbraw/zinc/10/25/74/510102574.db2.gz BRPJTFHBWXGVEP-UNMCSNQZSA-N 1 3 367.537 2.891 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)CCN1Cc1ccccc1 ZINC000268880324 510116051 /nfs/dbraw/zinc/11/60/51/510116051.db2.gz MNXOUHZEKLPMGG-RBBKRZOGSA-N 1 3 358.574 2.657 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194017219 510177860 /nfs/dbraw/zinc/17/78/60/510177860.db2.gz FBKFHJVDMNXLJN-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194017219 510177868 /nfs/dbraw/zinc/17/78/68/510177868.db2.gz FBKFHJVDMNXLJN-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)N1CCC(O)(C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000268996027 510182107 /nfs/dbraw/zinc/18/21/07/510182107.db2.gz HXFFFYOVOIJYMT-OAHLLOKOSA-N 1 3 367.921 2.882 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1 ZINC000262254607 510223083 /nfs/dbraw/zinc/22/30/83/510223083.db2.gz FBXLWLFEDMFAAT-QZTJIDSGSA-N 1 3 356.514 2.675 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)N(C)C)cc1 ZINC000246011152 510249650 /nfs/dbraw/zinc/24/96/50/510249650.db2.gz TVFQLRLCVNFTQH-HBMCJLEFSA-N 1 3 372.557 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)N(C)C)cc1 ZINC000246011152 510249655 /nfs/dbraw/zinc/24/96/55/510249655.db2.gz TVFQLRLCVNFTQH-HBMCJLEFSA-N 1 3 372.557 2.977 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000246015345 510251458 /nfs/dbraw/zinc/25/14/58/510251458.db2.gz UIEGTNQZLHNUBK-SFTDATJTSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000246015345 510251465 /nfs/dbraw/zinc/25/14/65/510251465.db2.gz UIEGTNQZLHNUBK-SFTDATJTSA-N 1 3 370.541 2.561 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000246101304 510292568 /nfs/dbraw/zinc/29/25/68/510292568.db2.gz HFLXLVBJFXIAQK-JFIYKMOQSA-N 1 3 364.559 2.867 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246190681 510349922 /nfs/dbraw/zinc/34/99/22/510349922.db2.gz LTMVGWWTKHZTGL-PMACEKPBSA-N 1 3 373.516 2.982 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181337301 510362031 /nfs/dbraw/zinc/36/20/31/510362031.db2.gz DCEXDLPAHOIWDZ-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000174889613 510368587 /nfs/dbraw/zinc/36/85/87/510368587.db2.gz QSLPWYBKUQSUMR-IEBWSBKVSA-N 1 3 356.514 2.772 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000246275057 510401476 /nfs/dbraw/zinc/40/14/76/510401476.db2.gz JJPIEIJOJBMZDH-RLLQIKCJSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000246275057 510401484 /nfs/dbraw/zinc/40/14/84/510401484.db2.gz JJPIEIJOJBMZDH-RLLQIKCJSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000246289590 510409942 /nfs/dbraw/zinc/40/99/42/510409942.db2.gz KSJDTWZUGKENMA-XDNAFOTISA-N 1 3 352.567 2.725 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000246289590 510409946 /nfs/dbraw/zinc/40/99/46/510409946.db2.gz KSJDTWZUGKENMA-XDNAFOTISA-N 1 3 352.567 2.725 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000175011217 510435315 /nfs/dbraw/zinc/43/53/15/510435315.db2.gz YXFXQYAFCCORCY-WIYYLYMNSA-N 1 3 368.525 2.868 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)CC1 ZINC000269537911 510453045 /nfs/dbraw/zinc/45/30/45/510453045.db2.gz ZHXCPVZXHPJZKA-HXUWFJFHSA-N 1 3 352.482 2.857 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)CC1 ZINC000269537911 510453054 /nfs/dbraw/zinc/45/30/54/510453054.db2.gz ZHXCPVZXHPJZKA-HXUWFJFHSA-N 1 3 352.482 2.857 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262887239 510459077 /nfs/dbraw/zinc/45/90/77/510459077.db2.gz ZQCLXQNVQJGKSX-ICSRJNTNSA-N 1 3 369.513 2.621 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000194739853 510505679 /nfs/dbraw/zinc/50/56/79/510505679.db2.gz SGNTWQHAJSGDFK-LJQANCHMSA-N 1 3 372.557 2.821 20 0 FFADHO CCC1(CC)[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C[C@H]1OC ZINC000181670392 510531252 /nfs/dbraw/zinc/53/12/52/510531252.db2.gz TXKURIXAKAYLDX-RTBURBONSA-N 1 3 361.530 2.661 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000246538982 510543297 /nfs/dbraw/zinc/54/32/97/510543297.db2.gz SJOGIRCRZCOCRJ-LEWJYISDSA-N 1 3 351.494 2.900 20 0 FFADHO CC(C)C(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000194828081 510547961 /nfs/dbraw/zinc/54/79/61/510547961.db2.gz QYITYKQRPFFHQN-UHFFFAOYSA-N 1 3 352.567 2.772 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000246560168 510557179 /nfs/dbraw/zinc/55/71/79/510557179.db2.gz XUWLEGNDCKJLMY-YSIASYRMSA-N 1 3 360.546 2.969 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000246560168 510557188 /nfs/dbraw/zinc/55/71/88/510557188.db2.gz XUWLEGNDCKJLMY-YSIASYRMSA-N 1 3 360.546 2.969 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246595573 510574760 /nfs/dbraw/zinc/57/47/60/510574760.db2.gz VMAKJSPILDDQIE-HBMCJLEFSA-N 1 3 355.526 2.984 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000246595573 510574764 /nfs/dbraw/zinc/57/47/64/510574764.db2.gz VMAKJSPILDDQIE-HBMCJLEFSA-N 1 3 355.526 2.984 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246626829 510590226 /nfs/dbraw/zinc/59/02/26/510590226.db2.gz SNMKAIXNRJPWDF-CEWLAPEOSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246626829 510590234 /nfs/dbraw/zinc/59/02/34/510590234.db2.gz SNMKAIXNRJPWDF-CEWLAPEOSA-N 1 3 372.557 2.927 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000172199512 510596832 /nfs/dbraw/zinc/59/68/32/510596832.db2.gz ZXEYKWPBVUZBKR-NRFANRHFSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000246697400 510623470 /nfs/dbraw/zinc/62/34/70/510623470.db2.gz VYXHXUZYIKOFCE-PIKOESSRSA-N 1 3 365.562 2.632 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)C(C)C)c(OCC[NH+](C)C)c1 ZINC000181883393 510640115 /nfs/dbraw/zinc/64/01/15/510640115.db2.gz JNUUUGUJRVHKMB-UHFFFAOYSA-N 1 3 350.507 2.739 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000191432236 510657474 /nfs/dbraw/zinc/65/74/74/510657474.db2.gz HHRDWOBRBMSAQN-UHFFFAOYSA-N 1 3 350.507 2.741 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246793346 510676540 /nfs/dbraw/zinc/67/65/40/510676540.db2.gz MKBDBMRDIGWHCG-HLIPFELVSA-N 1 3 373.545 2.589 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246793346 510676543 /nfs/dbraw/zinc/67/65/43/510676543.db2.gz MKBDBMRDIGWHCG-HLIPFELVSA-N 1 3 373.545 2.589 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000191478379 510680482 /nfs/dbraw/zinc/68/04/82/510680482.db2.gz VZTUIPWAPOZVHE-JOCHJYFZSA-N 1 3 364.622 2.991 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2scnc2C)CC1 ZINC000172431802 510723717 /nfs/dbraw/zinc/72/37/17/510723717.db2.gz COMGAABFOZLXFO-UHFFFAOYSA-N 1 3 366.575 2.554 20 0 FFADHO CC(C)=CCN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000188444365 510769161 /nfs/dbraw/zinc/76/91/61/510769161.db2.gz VGKQAUAKYJEZJE-INIZCTEOSA-N 1 3 353.532 2.533 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000175785512 510790452 /nfs/dbraw/zinc/79/04/52/510790452.db2.gz RAZAYOWSFICZGY-VQTJNVASSA-N 1 3 358.530 2.607 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 ZINC000195341378 510791567 /nfs/dbraw/zinc/79/15/67/510791567.db2.gz DMWULLXPXZFWMJ-UHFFFAOYSA-N 1 3 352.429 2.645 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247007947 510796704 /nfs/dbraw/zinc/79/67/04/510796704.db2.gz XEHIBGBQSTXULB-MMOPVJDHSA-N 1 3 369.509 2.856 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247007947 510796708 /nfs/dbraw/zinc/79/67/08/510796708.db2.gz XEHIBGBQSTXULB-MMOPVJDHSA-N 1 3 369.509 2.856 20 0 FFADHO CCN1CC[C@H]([NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000247183495 510849747 /nfs/dbraw/zinc/84/97/47/510849747.db2.gz VJBHNIBOCQKCPT-BVSLBCMMSA-N 1 3 358.574 2.685 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247369947 510858630 /nfs/dbraw/zinc/85/86/30/510858630.db2.gz PBRSHDZNMOHHAX-SFTDATJTSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247369947 510858631 /nfs/dbraw/zinc/85/86/31/510858631.db2.gz PBRSHDZNMOHHAX-SFTDATJTSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc(F)cc1 ZINC000297330227 510905031 /nfs/dbraw/zinc/90/50/31/510905031.db2.gz BOCYOTIQNIZVGO-IBGZPJMESA-N 1 3 362.493 2.745 20 0 FFADHO Cc1cc([C@H](C)[NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)nn1C ZINC000282355751 510943451 /nfs/dbraw/zinc/94/34/51/510943451.db2.gz VXLLLQSBFSALOT-GHTZIAJQSA-N 1 3 355.530 2.758 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297447931 510949016 /nfs/dbraw/zinc/94/90/16/510949016.db2.gz JHHCZZDTEURVBJ-YQQQUEKLSA-N 1 3 362.493 2.524 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297447931 510949021 /nfs/dbraw/zinc/94/90/21/510949021.db2.gz JHHCZZDTEURVBJ-YQQQUEKLSA-N 1 3 362.493 2.524 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000362355386 511178784 /nfs/dbraw/zinc/17/87/84/511178784.db2.gz XVTZUQYXDDMKCQ-QZTJIDSGSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]([NH2+]CCCOC1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000271471226 511215325 /nfs/dbraw/zinc/21/53/25/511215325.db2.gz ITANNNGFDHJOJH-KRWDZBQOSA-N 1 3 350.503 2.863 20 0 FFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OC ZINC000279849356 511240289 /nfs/dbraw/zinc/24/02/89/511240289.db2.gz IEXNCERMICTPJK-IRXDYDNUSA-N 1 3 363.546 2.811 20 0 FFADHO c1nnn(Cc2ccccc2)c1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000291724083 511311590 /nfs/dbraw/zinc/31/15/90/511311590.db2.gz MYOOKIMMWWZGGD-UHFFFAOYSA-N 1 3 362.481 2.728 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCn2ccnc2C)CC1 ZINC000271792349 511326158 /nfs/dbraw/zinc/32/61/58/511326158.db2.gz KHZVEAMMKQSBQP-MRXNPFEDSA-N 1 3 359.493 2.823 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333889949 511383699 /nfs/dbraw/zinc/38/36/99/511383699.db2.gz GRIZDUGKWZIMMO-SLYNCCJLSA-N 1 3 370.541 2.647 20 0 FFADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000291950759 511403623 /nfs/dbraw/zinc/40/36/23/511403623.db2.gz UOIMFKJMUYIFEC-HXUWFJFHSA-N 1 3 365.493 2.915 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)NCC2=CCN(C)CC2)cc1 ZINC000272061146 511417357 /nfs/dbraw/zinc/41/73/57/511417357.db2.gz RZPKDFFMEQNJLB-UHFFFAOYSA-N 1 3 360.502 2.791 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272218869 511468485 /nfs/dbraw/zinc/46/84/85/511468485.db2.gz ILUUZRGNKWFRLD-MJGOQNOKSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218869 511468489 /nfs/dbraw/zinc/46/84/89/511468489.db2.gz ILUUZRGNKWFRLD-MJGOQNOKSA-N 1 3 370.541 2.823 20 0 FFADHO CC[NH+](CC)CCCN[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000299350329 511602832 /nfs/dbraw/zinc/60/28/32/511602832.db2.gz NNSQBXHTTNBMKR-HNNXBMFYSA-N 1 3 351.491 2.742 20 0 FFADHO CCN(CC)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000299350329 511602834 /nfs/dbraw/zinc/60/28/34/511602834.db2.gz NNSQBXHTTNBMKR-HNNXBMFYSA-N 1 3 351.491 2.742 20 0 FFADHO CN1CCC(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000292584759 511652176 /nfs/dbraw/zinc/65/21/76/511652176.db2.gz AZLOIYWLHPQJCL-UHFFFAOYSA-N 1 3 370.541 2.778 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H]1C ZINC000280916686 511652217 /nfs/dbraw/zinc/65/22/17/511652217.db2.gz PLHAYXZOALVXBH-XGHQBKJUSA-N 1 3 374.525 2.711 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000303172134 511727717 /nfs/dbraw/zinc/72/77/17/511727717.db2.gz RHTOGOBBGFKNPA-QZTJIDSGSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000303172134 511727725 /nfs/dbraw/zinc/72/77/25/511727725.db2.gz RHTOGOBBGFKNPA-QZTJIDSGSA-N 1 3 352.567 2.917 20 0 FFADHO Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311357329 511776249 /nfs/dbraw/zinc/77/62/49/511776249.db2.gz DQOYHPJFCFOXCP-LEWJYISDSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311357329 511776253 /nfs/dbraw/zinc/77/62/53/511776253.db2.gz DQOYHPJFCFOXCP-LEWJYISDSA-N 1 3 354.494 2.846 20 0 FFADHO C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000363830650 511794666 /nfs/dbraw/zinc/79/46/66/511794666.db2.gz QTOIZWHSLPANCP-JXFKEZNVSA-N 1 3 372.513 2.544 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955953 511816464 /nfs/dbraw/zinc/81/64/64/511816464.db2.gz IFSRUPIRAABTPY-GXTWGEPZSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955953 511816472 /nfs/dbraw/zinc/81/64/72/511816472.db2.gz IFSRUPIRAABTPY-GXTWGEPZSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955953 511816479 /nfs/dbraw/zinc/81/64/79/511816479.db2.gz IFSRUPIRAABTPY-GXTWGEPZSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001127 511818792 /nfs/dbraw/zinc/81/87/92/511818792.db2.gz NRWNLDQBHGFKQW-SWLSCSKDSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001127 511818800 /nfs/dbraw/zinc/81/88/00/511818800.db2.gz NRWNLDQBHGFKQW-SWLSCSKDSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cc(Cl)ccc1Cl ZINC000321001127 511818809 /nfs/dbraw/zinc/81/88/09/511818809.db2.gz NRWNLDQBHGFKQW-SWLSCSKDSA-N 1 3 359.297 2.807 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274907705 511984684 /nfs/dbraw/zinc/98/46/84/511984684.db2.gz MNAMVMMXGSYGNR-ILWGZMRPSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297040715 511997268 /nfs/dbraw/zinc/99/72/68/511997268.db2.gz MNMNFONWDGMGHV-ZMWHVPEISA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297040715 511997276 /nfs/dbraw/zinc/99/72/76/511997276.db2.gz MNMNFONWDGMGHV-ZMWHVPEISA-N 1 3 370.541 2.821 20 0 FFADHO CS[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1N1CCCC1 ZINC000275300334 512098938 /nfs/dbraw/zinc/09/89/38/512098938.db2.gz QCQCSSLNVOFEQE-WOJBJXKFSA-N 1 3 373.566 2.934 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369582233 512493056 /nfs/dbraw/zinc/49/30/56/512493056.db2.gz MWCAKYLXNYEIIG-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369582233 512493061 /nfs/dbraw/zinc/49/30/61/512493061.db2.gz MWCAKYLXNYEIIG-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000411223782 512528609 /nfs/dbraw/zinc/52/86/09/512528609.db2.gz IGURDXRKMYZSHA-KRWDZBQOSA-N 1 3 352.544 2.953 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000411223782 512528613 /nfs/dbraw/zinc/52/86/13/512528613.db2.gz IGURDXRKMYZSHA-KRWDZBQOSA-N 1 3 352.544 2.953 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367560931 512558214 /nfs/dbraw/zinc/55/82/14/512558214.db2.gz CEPMDHCJVGREFN-FNAHDJPLSA-N 1 3 351.494 2.658 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367560931 512558223 /nfs/dbraw/zinc/55/82/23/512558223.db2.gz CEPMDHCJVGREFN-FNAHDJPLSA-N 1 3 351.494 2.658 20 0 FFADHO OC[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccnc1 ZINC000367560931 512558227 /nfs/dbraw/zinc/55/82/27/512558227.db2.gz CEPMDHCJVGREFN-FNAHDJPLSA-N 1 3 351.494 2.658 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000373932610 512577820 /nfs/dbraw/zinc/57/78/20/512577820.db2.gz ILOTZTOIDIUFBJ-LEWJYISDSA-N 1 3 370.541 2.885 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000373932610 512577823 /nfs/dbraw/zinc/57/78/23/512577823.db2.gz ILOTZTOIDIUFBJ-LEWJYISDSA-N 1 3 370.541 2.885 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375968445 512593878 /nfs/dbraw/zinc/59/38/78/512593878.db2.gz JHGADPAQKRPQTP-FUHWJXTLSA-N 1 3 369.431 2.595 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000374077336 512651816 /nfs/dbraw/zinc/65/18/16/512651816.db2.gz JCGHJOFCBLAZCF-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000374077336 512651818 /nfs/dbraw/zinc/65/18/18/512651818.db2.gz JCGHJOFCBLAZCF-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000376193637 512703667 /nfs/dbraw/zinc/70/36/67/512703667.db2.gz FWJQGVRIEARDIP-HMXCVIKNSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376193637 512703673 /nfs/dbraw/zinc/70/36/73/512703673.db2.gz FWJQGVRIEARDIP-HMXCVIKNSA-N 1 3 372.557 2.880 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000367918631 512724084 /nfs/dbraw/zinc/72/40/84/512724084.db2.gz YMJVTLLNHQXSPK-QLOJAFMTSA-N 1 3 374.529 2.614 20 0 FFADHO CO[C@](C)([C@H](C)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000411948039 512885986 /nfs/dbraw/zinc/88/59/86/512885986.db2.gz MSIPNESCEGYIRC-HTAPYJJXSA-N 1 3 373.541 2.692 20 0 FFADHO COc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000370353651 512889500 /nfs/dbraw/zinc/88/95/00/512889500.db2.gz QNIUFIWEOIYWKG-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388387105 512894927 /nfs/dbraw/zinc/89/49/27/512894927.db2.gz HZLKFPWKCYKNBJ-VJBWXMMDSA-N 1 3 367.537 2.514 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389835080 512901870 /nfs/dbraw/zinc/90/18/70/512901870.db2.gz DGUAHJMTVNTYCH-LAUBAEHRSA-N 1 3 351.494 2.699 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374597520 512908995 /nfs/dbraw/zinc/90/89/95/512908995.db2.gz TULGZHXQZLSBAN-CEWLAPEOSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374597520 512909001 /nfs/dbraw/zinc/90/90/01/512909001.db2.gz TULGZHXQZLSBAN-CEWLAPEOSA-N 1 3 370.541 2.681 20 0 FFADHO OC1(C[NH2+]Cc2ccc3c(c2)OCCO3)CCN(Cc2ccccc2)CC1 ZINC000397562096 512948122 /nfs/dbraw/zinc/94/81/22/512948122.db2.gz SJYBRGITUWOXQS-UHFFFAOYSA-N 1 3 368.477 2.575 20 0 FFADHO COCCCn1nccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000374707436 512964906 /nfs/dbraw/zinc/96/49/06/512964906.db2.gz NPDRHHDCZDSMTI-HXUWFJFHSA-N 1 3 356.514 2.921 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000370534526 512983255 /nfs/dbraw/zinc/98/32/55/512983255.db2.gz UIZZPSDPTUTEKF-HXUWFJFHSA-N 1 3 365.562 2.789 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000370534526 512983259 /nfs/dbraw/zinc/98/32/59/512983259.db2.gz UIZZPSDPTUTEKF-HXUWFJFHSA-N 1 3 365.562 2.789 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370633131 513024234 /nfs/dbraw/zinc/02/42/34/513024234.db2.gz FSHXOLHESTYJJQ-FXAWDEMLSA-N 1 3 367.541 3.000 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000424420082 513136652 /nfs/dbraw/zinc/13/66/52/513136652.db2.gz QBNIEHIMZSLOBC-IEBWSBKVSA-N 1 3 359.518 2.528 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(OCCN(C)C)cc2)c1 ZINC000424447448 513150883 /nfs/dbraw/zinc/15/08/83/513150883.db2.gz VIFMDQIHSYKWKL-UHFFFAOYSA-N 1 3 356.470 2.716 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417673071 513151866 /nfs/dbraw/zinc/15/18/66/513151866.db2.gz VLEBCCGYYANWFU-NHCUHLMSSA-N 1 3 370.541 2.682 20 0 FFADHO Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(OCCN(C)C)c1 ZINC000415208306 513152785 /nfs/dbraw/zinc/15/27/85/513152785.db2.gz VDAPWHOWJJCGLG-GVDBMIGSSA-N 1 3 360.502 2.527 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428651101 513153268 /nfs/dbraw/zinc/15/32/68/513153268.db2.gz XDTOUPFEWIHWFH-PXNSSMCTSA-N 1 3 370.541 2.996 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCCN(C)C ZINC000439681463 513161640 /nfs/dbraw/zinc/16/16/40/513161640.db2.gz AMWCLBAYLVNEBQ-SFHVURJKSA-N 1 3 361.530 2.867 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCCN(C)C ZINC000439681463 513161646 /nfs/dbraw/zinc/16/16/46/513161646.db2.gz AMWCLBAYLVNEBQ-SFHVURJKSA-N 1 3 361.530 2.867 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[NH2+]1 ZINC000417689759 513164037 /nfs/dbraw/zinc/16/40/37/513164037.db2.gz UFYWCWXGONEUAW-LSTHTHJFSA-N 1 3 372.557 2.899 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000417696468 513168568 /nfs/dbraw/zinc/16/85/68/513168568.db2.gz VLVMOSYQPCESLK-RLLQIKCJSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417742632 513190190 /nfs/dbraw/zinc/19/01/90/513190190.db2.gz WHPWVYXEAFPPOI-BFYDXBDKSA-N 1 3 352.548 2.948 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000439831834 513191726 /nfs/dbraw/zinc/19/17/26/513191726.db2.gz KJSXZJZJVBFGDN-OAQYLSRUSA-N 1 3 373.541 2.693 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000439831834 513191736 /nfs/dbraw/zinc/19/17/36/513191736.db2.gz KJSXZJZJVBFGDN-OAQYLSRUSA-N 1 3 373.541 2.693 20 0 FFADHO C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417743923 513192479 /nfs/dbraw/zinc/19/24/79/513192479.db2.gz MFZZTFYMELRKBD-XPKDYRNWSA-N 1 3 372.435 2.735 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417814430 513218724 /nfs/dbraw/zinc/21/87/24/513218724.db2.gz AYWMLXXLRGYSBC-MISYRCLQSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417852424 513239114 /nfs/dbraw/zinc/23/91/14/513239114.db2.gz ZIHQKRQODSFKKF-FUHIMQAGSA-N 1 3 358.530 2.808 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440095205 513245456 /nfs/dbraw/zinc/24/54/56/513245456.db2.gz BAUVIAPNIRHBTE-GOSISDBHSA-N 1 3 365.587 2.871 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440095205 513245466 /nfs/dbraw/zinc/24/54/66/513245466.db2.gz BAUVIAPNIRHBTE-GOSISDBHSA-N 1 3 365.587 2.871 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000429159655 513294333 /nfs/dbraw/zinc/29/43/33/513294333.db2.gz GACDOJCHIAOELV-DYESRHJHSA-N 1 3 370.541 2.681 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434354080 513297157 /nfs/dbraw/zinc/29/71/57/513297157.db2.gz YMWHHDKRJOARQW-LJQANCHMSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[C@H]1c1ccccc1 ZINC000417949013 513299866 /nfs/dbraw/zinc/29/98/66/513299866.db2.gz UKKWUCWHJMYFDA-SLFFLAALSA-N 1 3 356.514 2.605 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)[C@@H]1c1ccccc1 ZINC000417953776 513303752 /nfs/dbraw/zinc/30/37/52/513303752.db2.gz ZJUZHODPYHUADW-UXHICEINSA-N 1 3 358.530 2.982 20 0 FFADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000446740045 513327590 /nfs/dbraw/zinc/32/75/90/513327590.db2.gz ABLYHHCUTBELPP-FXAWDEMLSA-N 1 3 357.502 2.740 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418021793 513338040 /nfs/dbraw/zinc/33/80/40/513338040.db2.gz AGANBDHEJVYAHR-RBBKRZOGSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@]1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCN1Cc1ccccc1 ZINC000418041626 513349441 /nfs/dbraw/zinc/34/94/41/513349441.db2.gz KVIVLSHXDSEJGY-FGZHOGPDSA-N 1 3 370.541 2.826 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCNC(C)(C)C2)CC1 ZINC000418061671 513357936 /nfs/dbraw/zinc/35/79/36/513357936.db2.gz FEJFKWYIRNCPNM-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418101737 513372690 /nfs/dbraw/zinc/37/26/90/513372690.db2.gz GOOZVRNXQJNJSF-PZJWPPBQSA-N 1 3 370.541 2.540 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418110370 513376373 /nfs/dbraw/zinc/37/63/73/513376373.db2.gz WFVWKEQECCKTSI-GRTSSRMGSA-N 1 3 364.456 2.608 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000418146957 513391780 /nfs/dbraw/zinc/39/17/80/513391780.db2.gz PTTWFULWKAQIAV-VAMGGRTRSA-N 1 3 358.530 2.714 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000440720667 513392798 /nfs/dbraw/zinc/39/27/98/513392798.db2.gz XYKFWVOCHSNBMW-YVWKXTFCSA-N 1 3 358.530 2.994 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418162037 513399980 /nfs/dbraw/zinc/39/99/80/513399980.db2.gz ULYPFCRULOQYMQ-OALUTQOASA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000418187202 513411584 /nfs/dbraw/zinc/41/15/84/513411584.db2.gz DCKWJXWKTIUIHQ-IFMALSPDSA-N 1 3 372.557 2.883 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N(C)C ZINC000418187570 513412356 /nfs/dbraw/zinc/41/23/56/513412356.db2.gz STJSPNYLKHFBLI-GNBUJSLZSA-N 1 3 358.530 2.627 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000418195748 513416254 /nfs/dbraw/zinc/41/62/54/513416254.db2.gz QDIFRMJGXKXTKW-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418194652 513416332 /nfs/dbraw/zinc/41/63/32/513416332.db2.gz PEUGUADAWQETPR-HKBOAZHASA-N 1 3 372.557 2.739 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000418199551 513418271 /nfs/dbraw/zinc/41/82/71/513418271.db2.gz XBSLEIUXLCCKMR-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO COc1cc2[nH+]ccc(N3CCC(CN4CCOCC4)CC3)c2cc1OC ZINC000413063943 513418386 /nfs/dbraw/zinc/41/83/86/513418386.db2.gz TXJXRDWRMQDPQK-UHFFFAOYSA-N 1 3 371.481 2.801 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000418229931 513431976 /nfs/dbraw/zinc/43/19/76/513431976.db2.gz IIYBROCNOWIBGS-RHSMWYFYSA-N 1 3 352.548 2.828 20 0 FFADHO C[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000418314953 513460621 /nfs/dbraw/zinc/46/06/21/513460621.db2.gz TYWSKXOEGPIZPC-ZIBCJSCZSA-N 1 3 370.541 2.538 20 0 FFADHO NC(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421884580 513460697 /nfs/dbraw/zinc/46/06/97/513460697.db2.gz QUQIQJAFRDGISB-XUVXKRRUSA-N 1 3 355.526 2.922 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1OCCN(C)C ZINC000415906047 513469999 /nfs/dbraw/zinc/46/99/99/513469999.db2.gz WHIZBSOKUQONDE-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418342750 513474305 /nfs/dbraw/zinc/47/43/05/513474305.db2.gz NEYLRYCTJJQAJM-CEWLAPEOSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000418353221 513478967 /nfs/dbraw/zinc/47/89/67/513478967.db2.gz VQTBOHRMGAVYSH-ICSRJNTNSA-N 1 3 360.546 2.581 20 0 FFADHO C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418356201 513479729 /nfs/dbraw/zinc/47/97/29/513479729.db2.gz XWQZKWBKNWDMOC-OALUTQOASA-N 1 3 358.530 2.682 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H](C[NH3+])C1CCCCC1)Cc1ccco1 ZINC000418357453 513482116 /nfs/dbraw/zinc/48/21/16/513482116.db2.gz HROOTDYAVGCJLC-SFHVURJKSA-N 1 3 350.507 2.651 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000418362791 513483149 /nfs/dbraw/zinc/48/31/49/513483149.db2.gz VDMVBQZTURVAAX-PCCBWWKXSA-N 1 3 366.509 2.946 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000415925514 513483058 /nfs/dbraw/zinc/48/30/58/513483058.db2.gz AURWTPRAEQSKRV-LJQANCHMSA-N 1 3 356.470 2.839 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000415949977 513495501 /nfs/dbraw/zinc/49/55/01/513495501.db2.gz CPIPULBLLNFLHV-HNAYVOBHSA-N 1 3 372.488 2.952 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000415949977 513495509 /nfs/dbraw/zinc/49/55/09/513495509.db2.gz CPIPULBLLNFLHV-HNAYVOBHSA-N 1 3 372.488 2.952 20 0 FFADHO CCCN(C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418414531 513499749 /nfs/dbraw/zinc/49/97/49/513499749.db2.gz ZXLNGCDNMFSNIM-UXHICEINSA-N 1 3 358.530 2.810 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC([NH3+])(CC)CC ZINC000418433475 513508862 /nfs/dbraw/zinc/50/88/62/513508862.db2.gz CMZVWUHHJIZNAF-GOSISDBHSA-N 1 3 361.534 2.595 20 0 FFADHO NCc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000415972447 513510430 /nfs/dbraw/zinc/51/04/30/513510430.db2.gz OVENTTSUCXXSPW-HIFRSBDPSA-N 1 3 356.392 2.912 20 0 FFADHO NCc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000415972447 513510435 /nfs/dbraw/zinc/51/04/35/513510435.db2.gz OVENTTSUCXXSPW-HIFRSBDPSA-N 1 3 356.392 2.912 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418489107 513529234 /nfs/dbraw/zinc/52/92/34/513529234.db2.gz NYPMPWJGYQKCQM-JXFKEZNVSA-N 1 3 354.498 2.823 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418489107 513529243 /nfs/dbraw/zinc/52/92/43/513529243.db2.gz NYPMPWJGYQKCQM-JXFKEZNVSA-N 1 3 354.498 2.823 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000418490852 513530663 /nfs/dbraw/zinc/53/06/63/513530663.db2.gz NJORXYAUNMZCFJ-YWZLYKJASA-N 1 3 370.497 2.817 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cnc(-c3ccsc3)s2)CC1(C)C ZINC000441336174 513543074 /nfs/dbraw/zinc/54/30/74/513543074.db2.gz ZWZRPGLZYKTQFJ-UHFFFAOYSA-N 1 3 350.557 2.987 20 0 FFADHO C[C@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418526481 513544666 /nfs/dbraw/zinc/54/46/66/513544666.db2.gz NDKBFJURJIGNIQ-CYBMUJFWSA-N 1 3 360.424 2.516 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000418561300 513558278 /nfs/dbraw/zinc/55/82/78/513558278.db2.gz YXEABGMQDWGVEG-UHFFFAOYSA-N 1 3 358.530 2.943 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000418561300 513558281 /nfs/dbraw/zinc/55/82/81/513558281.db2.gz YXEABGMQDWGVEG-UHFFFAOYSA-N 1 3 358.530 2.943 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccc(F)cc1 ZINC000418623200 513580774 /nfs/dbraw/zinc/58/07/74/513580774.db2.gz WYAOZDVTVAPLKW-DLBZAZTESA-N 1 3 350.482 2.506 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418623224 513580936 /nfs/dbraw/zinc/58/09/36/513580936.db2.gz WKUAKKVPKLOZHI-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CCN(C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418640962 513588335 /nfs/dbraw/zinc/58/83/35/513588335.db2.gz NHBZEJQJLOJHDR-GOSISDBHSA-N 1 3 356.514 2.602 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21)Cc1ccco1 ZINC000418646273 513589881 /nfs/dbraw/zinc/58/98/81/513589881.db2.gz WZLUUWPJDCCEKM-FQEVSTJZSA-N 1 3 370.497 2.630 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418656420 513596365 /nfs/dbraw/zinc/59/63/65/513596365.db2.gz SJDAPKCTQQTHOX-FQEVSTJZSA-N 1 3 354.498 2.809 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418672195 513605561 /nfs/dbraw/zinc/60/55/61/513605561.db2.gz TZKBQOSBLQUFFZ-QAQDUYKDSA-N 1 3 362.518 2.651 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418711438 513620375 /nfs/dbraw/zinc/62/03/75/513620375.db2.gz FUGJSFGQJRRSHI-VAMGGRTRSA-N 1 3 373.545 2.595 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N(C)C[C@H]3CCCN3C)CC2)CC1 ZINC000422190248 513627461 /nfs/dbraw/zinc/62/74/61/513627461.db2.gz WPKXZPFLKVUCSG-CTWPCTMYSA-N 1 3 350.551 2.765 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418749494 513637440 /nfs/dbraw/zinc/63/74/40/513637440.db2.gz MHALQYRETLCJEI-UXHICEINSA-N 1 3 373.545 2.610 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000447967272 513641023 /nfs/dbraw/zinc/64/10/23/513641023.db2.gz VGDNXJFDJCVYDV-GOSISDBHSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418757279 513642458 /nfs/dbraw/zinc/64/24/58/513642458.db2.gz YTEIKNTXIOLFKQ-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418777857 513653396 /nfs/dbraw/zinc/65/33/96/513653396.db2.gz YXEFGANBSZIQIK-XEYPJELSSA-N 1 3 358.530 2.981 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1ccsc1 ZINC000425647387 513677714 /nfs/dbraw/zinc/67/77/14/513677714.db2.gz HEMVBMIGBVILFS-CGTJXYLNSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC000425653500 513682198 /nfs/dbraw/zinc/68/21/98/513682198.db2.gz ZWVSMSCCMSSOGR-SLFFLAALSA-N 1 3 358.530 2.805 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000425653500 513682203 /nfs/dbraw/zinc/68/22/03/513682203.db2.gz ZWVSMSCCMSSOGR-SLFFLAALSA-N 1 3 358.530 2.805 20 0 FFADHO CSc1ccccc1NC(=O)CCN1CCC(OCCC[NH3+])CC1 ZINC000430572038 513691309 /nfs/dbraw/zinc/69/13/09/513691309.db2.gz JBAWGVLWZRMVTM-UHFFFAOYSA-N 1 3 351.516 2.567 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425674389 513694694 /nfs/dbraw/zinc/69/46/94/513694694.db2.gz OZDMMJUIHMICHE-SLYNCCJLSA-N 1 3 370.541 2.948 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000425746748 513729211 /nfs/dbraw/zinc/72/92/11/513729211.db2.gz UVPDVSQXEHHBSP-PCCBWWKXSA-N 1 3 370.541 2.633 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000425746748 513729219 /nfs/dbraw/zinc/72/92/19/513729219.db2.gz UVPDVSQXEHHBSP-PCCBWWKXSA-N 1 3 370.541 2.633 20 0 FFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCOc1cccc2ccccc21 ZINC000436055932 513747805 /nfs/dbraw/zinc/74/78/05/513747805.db2.gz CEOLEJRDXOGBJJ-GOSISDBHSA-N 1 3 355.482 2.538 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CN(C)C ZINC000425918147 513798168 /nfs/dbraw/zinc/79/81/68/513798168.db2.gz DIUYRCKZBUZIOC-IRXDYDNUSA-N 1 3 367.559 2.710 20 0 FFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCN3CCN(C)C(C)(C)C3)CC2)C1 ZINC000442873563 513801250 /nfs/dbraw/zinc/80/12/50/513801250.db2.gz RGMZVPTVTAZTBY-QUCCMNQESA-N 1 3 350.595 2.645 20 0 FFADHO CC(C)(C)c1ccc(CCNC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431019734 513806834 /nfs/dbraw/zinc/80/68/34/513806834.db2.gz SATXFCDLACAMHD-UHFFFAOYSA-N 1 3 357.542 2.718 20 0 FFADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026580 513808566 /nfs/dbraw/zinc/80/85/66/513808566.db2.gz RVLWBMFWWRFVBI-CQSZACIVSA-N 1 3 367.896 2.902 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431274973 513861799 /nfs/dbraw/zinc/86/17/99/513861799.db2.gz KFWUZBCEVNVMSU-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000436502363 513875089 /nfs/dbraw/zinc/87/50/89/513875089.db2.gz CLZXLSJONODRCN-KRWDZBQOSA-N 1 3 362.518 2.931 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000436502363 513875095 /nfs/dbraw/zinc/87/50/95/513875095.db2.gz CLZXLSJONODRCN-KRWDZBQOSA-N 1 3 362.518 2.931 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422729351 513916147 /nfs/dbraw/zinc/91/61/47/513916147.db2.gz KPBAMOPTHXMWHC-MGBSGCIJSA-N 1 3 373.419 2.506 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COc1ccc(F)c(F)c1 ZINC000422743445 513920834 /nfs/dbraw/zinc/92/08/34/513920834.db2.gz RIOOBUBJWBRVGV-ALQDCCJHSA-N 1 3 354.441 2.605 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccccc2Br)CC1 ZINC000422783516 513930669 /nfs/dbraw/zinc/93/06/69/513930669.db2.gz MYPGTPVEPVPQHE-XEZPLFJOSA-N 1 3 353.304 2.823 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422783516 513930671 /nfs/dbraw/zinc/93/06/71/513930671.db2.gz MYPGTPVEPVPQHE-XEZPLFJOSA-N 1 3 353.304 2.823 20 0 FFADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422832655 513946434 /nfs/dbraw/zinc/94/64/34/513946434.db2.gz LILVIECMWIKSPP-BZUAXINKSA-N 1 3 356.436 3.413 20 0 FFADHO [NH3+][C@@H]1C[C@@H](NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000422836683 513948030 /nfs/dbraw/zinc/94/80/30/513948030.db2.gz RSBWKAPDGUIRCU-DHIUTWEWSA-N 1 3 364.537 2.929 20 0 FFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422889059 513964909 /nfs/dbraw/zinc/96/49/09/513964909.db2.gz OSWOIESEOSCLOQ-FXAWDEMLSA-N 1 3 364.965 2.830 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000416829182 513987218 /nfs/dbraw/zinc/98/72/18/513987218.db2.gz FLWMUCXNZBKMSS-VQTJNVASSA-N 1 3 372.557 2.579 20 0 FFADHO O=C(CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000422947847 513987900 /nfs/dbraw/zinc/98/79/00/513987900.db2.gz QOCTVDMRUCIOBF-OKZBNKHCSA-N 1 3 365.905 2.805 20 0 FFADHO Brc1cccc(NCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422963104 513993316 /nfs/dbraw/zinc/99/33/16/513993316.db2.gz HMVFJVATLODNAN-BRWVUGGUSA-N 1 3 368.319 2.608 20 0 FFADHO [NH3+]CCCN(CC1CCCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416845047 513999011 /nfs/dbraw/zinc/99/90/11/513999011.db2.gz QUVLMQNLAATRHR-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)ncn1 ZINC000422986006 513999337 /nfs/dbraw/zinc/99/93/37/513999337.db2.gz GHZCHAAYOROCSU-VDGAXYAQSA-N 1 3 353.514 2.556 20 0 FFADHO CN1CCC(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)(N2CCOCC2)CC1 ZINC000414182281 514000181 /nfs/dbraw/zinc/00/01/81/514000181.db2.gz DAHZUPOFLBZJCP-HXUWFJFHSA-N 1 3 361.505 2.663 20 0 FFADHO CCOc1ccccc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414192749 514004787 /nfs/dbraw/zinc/00/47/87/514004787.db2.gz MJWLXZPLFNBULR-GOSISDBHSA-N 1 3 361.530 2.533 20 0 FFADHO Cc1cccc(CC[C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414192684 514004892 /nfs/dbraw/zinc/00/48/92/514004892.db2.gz MEBLLLUIIIRPPL-HXUWFJFHSA-N 1 3 359.558 2.702 20 0 FFADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195115 514006110 /nfs/dbraw/zinc/00/61/10/514006110.db2.gz NQLFIFPIFOHOPP-OAQYLSRUSA-N 1 3 359.558 2.640 20 0 FFADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414207687 514012090 /nfs/dbraw/zinc/01/20/90/514012090.db2.gz ZUGRPQKMWLMMMN-UYAOXDASSA-N 1 3 357.542 2.930 20 0 FFADHO CCCc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2n1 ZINC000443670695 514018656 /nfs/dbraw/zinc/01/86/56/514018656.db2.gz ARLFSEVDKVVWNP-UHFFFAOYSA-N 1 3 368.525 2.964 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416892671 514027923 /nfs/dbraw/zinc/02/79/23/514027923.db2.gz BEPOQGYBAAUVMP-WOJBJXKFSA-N 1 3 356.514 2.566 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416892666 514028896 /nfs/dbraw/zinc/02/88/96/514028896.db2.gz BEPOQGYBAAUVMP-VQTJNVASSA-N 1 3 356.514 2.566 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](COC)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423088878 514037273 /nfs/dbraw/zinc/03/72/73/514037273.db2.gz RDDFZYSBNIHIOM-PBHICJAKSA-N 1 3 368.905 2.939 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000414304436 514041369 /nfs/dbraw/zinc/04/13/69/514041369.db2.gz MJNJMNDIWLGAOG-IHPCNDPISA-N 1 3 374.525 2.581 20 0 FFADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000423125536 514051643 /nfs/dbraw/zinc/05/16/43/514051643.db2.gz AAASVBGDDMRYEH-HJNYFJLDSA-N 1 3 357.542 2.645 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000423147512 514060797 /nfs/dbraw/zinc/06/07/97/514060797.db2.gz CQALLDKOJDWLLU-GHTZIAJQSA-N 1 3 358.530 2.717 20 0 FFADHO CN(C)CCN1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449075499 514062297 /nfs/dbraw/zinc/06/22/97/514062297.db2.gz NCJIZJHSIIIARX-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)C[C@H]1[NH3+] ZINC000416950343 514063024 /nfs/dbraw/zinc/06/30/24/514063024.db2.gz FDYXFQXDHFEYOT-IIBYNOLFSA-N 1 3 366.509 2.904 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CCC(O)CC2)CC1 ZINC000449095413 514070978 /nfs/dbraw/zinc/07/09/78/514070978.db2.gz YHULBLARDFLQRL-IBGZPJMESA-N 1 3 359.558 2.518 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000420298134 514078772 /nfs/dbraw/zinc/07/87/72/514078772.db2.gz GUZSEQDTEJUYGF-FUHWJXTLSA-N 1 3 361.530 2.612 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000420298134 514078775 /nfs/dbraw/zinc/07/87/75/514078775.db2.gz GUZSEQDTEJUYGF-FUHWJXTLSA-N 1 3 361.530 2.612 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000449120296 514080800 /nfs/dbraw/zinc/08/08/00/514080800.db2.gz CJSUMVFJKUXQOL-AVRDEDQJSA-N 1 3 357.542 2.535 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000449137206 514089365 /nfs/dbraw/zinc/08/93/65/514089365.db2.gz XKUKSYVSHWZJQK-UFYCRDLUSA-N 1 3 359.558 2.781 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000416983577 514091270 /nfs/dbraw/zinc/09/12/70/514091270.db2.gz XIQMFTMKPYGAEL-MXVIHJGJSA-N 1 3 372.557 2.758 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccsc1 ZINC000417001650 514108807 /nfs/dbraw/zinc/10/88/07/514108807.db2.gz FBNOCEDQSRVGQZ-HKUYNNGSSA-N 1 3 364.559 2.916 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccccc1Br ZINC000420366100 514111920 /nfs/dbraw/zinc/11/19/20/514111920.db2.gz QXODCXZKUSDMDZ-AWEZNQCLSA-N 1 3 354.292 2.755 20 0 FFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000420366100 514111929 /nfs/dbraw/zinc/11/19/29/514111929.db2.gz QXODCXZKUSDMDZ-AWEZNQCLSA-N 1 3 354.292 2.755 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC2)cc1 ZINC000423358021 514116512 /nfs/dbraw/zinc/11/65/12/514116512.db2.gz MZYCITOJIPZCHL-OXJNMPFZSA-N 1 3 361.530 2.643 20 0 FFADHO COc1ccc([C@@H](CCn2cncn2)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423369488 514118103 /nfs/dbraw/zinc/11/81/03/514118103.db2.gz DWTRUMLWBOQAKK-OAQYLSRUSA-N 1 3 363.465 2.811 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000417012231 514118277 /nfs/dbraw/zinc/11/82/77/514118277.db2.gz WLKFIVXLLLYEDP-BHYGNILZSA-N 1 3 352.548 2.948 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423369487 514119117 /nfs/dbraw/zinc/11/91/17/514119117.db2.gz DWTRUMLWBOQAKK-NRFANRHFSA-N 1 3 363.465 2.811 20 0 FFADHO CCCOc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423372940 514120121 /nfs/dbraw/zinc/12/01/21/514120121.db2.gz BQJXREXVPGZMET-YOEHRIQHSA-N 1 3 359.436 2.962 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000423371082 514120594 /nfs/dbraw/zinc/12/05/94/514120594.db2.gz HJJYVDOGAINCKL-RBUKOAKNSA-N 1 3 361.530 2.590 20 0 FFADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423395813 514128129 /nfs/dbraw/zinc/12/81/29/514128129.db2.gz RYLLLDZXIMPBNH-QFIPXVFZSA-N 1 3 351.494 2.761 20 0 FFADHO C[C@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000420416833 514140498 /nfs/dbraw/zinc/14/04/98/514140498.db2.gz VYEUCOAUKHPLNP-NWDGAFQWSA-N 1 3 372.282 2.834 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCNCC2(F)F)CC1 ZINC000423478664 514149888 /nfs/dbraw/zinc/14/98/88/514149888.db2.gz NMVKZUDOMZALAQ-WMZOPIPTSA-N 1 3 351.485 2.916 20 0 FFADHO COc1ccc(F)c(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414527271 514164299 /nfs/dbraw/zinc/16/42/99/514164299.db2.gz QVWCPFYFDBYRHZ-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO Cc1ncc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000423550217 514167318 /nfs/dbraw/zinc/16/73/18/514167318.db2.gz FNEJHBSRMPCZIH-INIZCTEOSA-N 1 3 353.514 2.738 20 0 FFADHO CC1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423573590 514172931 /nfs/dbraw/zinc/17/29/31/514172931.db2.gz OXUFUXUABJOSST-UFYCRDLUSA-N 1 3 355.526 2.875 20 0 FFADHO Cc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414551379 514175518 /nfs/dbraw/zinc/17/55/18/514175518.db2.gz FOPHPKRFVMLNII-UHFFFAOYSA-N 1 3 351.494 2.982 20 0 FFADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000427298982 514177220 /nfs/dbraw/zinc/17/72/20/514177220.db2.gz IGLCRWLBLATKBD-WIYYLYMNSA-N 1 3 357.542 2.965 20 0 FFADHO C[S@](=O)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000414556940 514178637 /nfs/dbraw/zinc/17/86/37/514178637.db2.gz YYBJUDPBUBHWRQ-SANMLTNESA-N 1 3 372.534 2.541 20 0 FFADHO CC(=O)NCCc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432427306 514192178 /nfs/dbraw/zinc/19/21/78/514192178.db2.gz YDDCAKABCLMTKS-ROUUACIJSA-N 1 3 361.530 2.517 20 0 FFADHO CC(=O)NCCc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432427306 514192185 /nfs/dbraw/zinc/19/21/85/514192185.db2.gz YDDCAKABCLMTKS-ROUUACIJSA-N 1 3 361.530 2.517 20 0 FFADHO COC[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](COC)CC3)COC2)CC1 ZINC000452109757 514196933 /nfs/dbraw/zinc/19/69/33/514196933.db2.gz XFAZYNCOXXSKHF-BGYRXZFFSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@H](COC)CC3)COC2)CC1 ZINC000452109757 514196939 /nfs/dbraw/zinc/19/69/39/514196939.db2.gz XFAZYNCOXXSKHF-BGYRXZFFSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@@H]1CCC[N@@H+](CC2(CN3CCC[C@H](COC)CC3)COC2)CC1 ZINC000452109757 514196947 /nfs/dbraw/zinc/19/69/47/514196947.db2.gz XFAZYNCOXXSKHF-BGYRXZFFSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@@H]1CCC[N@H+](CC2(CN3CCC[C@H](COC)CC3)COC2)CC1 ZINC000452109757 514196952 /nfs/dbraw/zinc/19/69/52/514196952.db2.gz XFAZYNCOXXSKHF-BGYRXZFFSA-N 1 3 368.562 2.500 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423758176 514220314 /nfs/dbraw/zinc/22/03/14/514220314.db2.gz JURSNFLYZRDNPA-UHFFFAOYSA-N 1 3 357.542 2.959 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000423769957 514223914 /nfs/dbraw/zinc/22/39/14/514223914.db2.gz CWOMQUSNJSIJOJ-XPGWFJOJSA-N 1 3 355.457 2.505 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423787098 514227259 /nfs/dbraw/zinc/22/72/59/514227259.db2.gz WEXPRLLBMMKPQQ-VYIBBNTISA-N 1 3 355.526 2.777 20 0 FFADHO COc1ccc(CCC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414672324 514235663 /nfs/dbraw/zinc/23/56/63/514235663.db2.gz HEQYXUSYPINNHQ-FQEVSTJZSA-N 1 3 373.541 2.537 20 0 FFADHO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676121 514237099 /nfs/dbraw/zinc/23/70/99/514237099.db2.gz MXMVNTOREUXELO-UONOGXRCSA-N 1 3 357.420 2.896 20 0 FFADHO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676121 514237104 /nfs/dbraw/zinc/23/71/04/514237104.db2.gz MXMVNTOREUXELO-UONOGXRCSA-N 1 3 357.420 2.896 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000417218443 514239945 /nfs/dbraw/zinc/23/99/45/514239945.db2.gz STWYOYQANLUPOL-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000417219729 514241401 /nfs/dbraw/zinc/24/14/01/514241401.db2.gz WLEJFMJXRFMKAC-AZUAARDMSA-N 1 3 358.530 2.758 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)C1 ZINC000414696447 514247205 /nfs/dbraw/zinc/24/72/05/514247205.db2.gz PISWFQVFFATYAN-SFHVURJKSA-N 1 3 371.525 2.563 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)C1 ZINC000414696447 514247214 /nfs/dbraw/zinc/24/72/14/514247214.db2.gz PISWFQVFFATYAN-SFHVURJKSA-N 1 3 371.525 2.563 20 0 FFADHO CCc1ncsc1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000437859530 514253640 /nfs/dbraw/zinc/25/36/40/514253640.db2.gz CMFMOXWOVCBEJC-AWEZNQCLSA-N 1 3 353.536 2.585 20 0 FFADHO CCc1ncsc1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000437859530 514253648 /nfs/dbraw/zinc/25/36/48/514253648.db2.gz CMFMOXWOVCBEJC-AWEZNQCLSA-N 1 3 353.536 2.585 20 0 FFADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1C(F)(F)F ZINC000414766907 514281462 /nfs/dbraw/zinc/28/14/62/514281462.db2.gz RRILLTWOKNQJSG-HNNXBMFYSA-N 1 3 357.420 2.833 20 0 FFADHO CCCOc1c(Cl)cc(CNCCCN2CC[NH2+]CC2)cc1OC ZINC000414775934 514287382 /nfs/dbraw/zinc/28/73/82/514287382.db2.gz DSXUYJNLRXKKFZ-UHFFFAOYSA-N 1 3 355.910 2.522 20 0 FFADHO CC[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000420787826 514298579 /nfs/dbraw/zinc/29/85/79/514298579.db2.gz CKGODOLDMTUBIW-WOJBJXKFSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000420787826 514298582 /nfs/dbraw/zinc/29/85/82/514298582.db2.gz CKGODOLDMTUBIW-WOJBJXKFSA-N 1 3 358.530 2.559 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417361135 514311591 /nfs/dbraw/zinc/31/15/91/514311591.db2.gz INJWZKBODQSGDN-IRXDYDNUSA-N 1 3 364.559 2.601 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417361133 514312426 /nfs/dbraw/zinc/31/24/26/514312426.db2.gz INJWZKBODQSGDN-DLBZAZTESA-N 1 3 364.559 2.601 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414841606 514319995 /nfs/dbraw/zinc/31/99/95/514319995.db2.gz NOCRCTCMXIALIP-KDOFPFPSSA-N 1 3 361.486 2.688 20 0 FFADHO CN(CC1CCN(C)CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438161319 514322191 /nfs/dbraw/zinc/32/21/91/514322191.db2.gz QKDPEDPGFHTBMQ-IBGZPJMESA-N 1 3 350.551 2.767 20 0 FFADHO CN(CC1CCN(C)CC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438161319 514322197 /nfs/dbraw/zinc/32/21/97/514322197.db2.gz QKDPEDPGFHTBMQ-IBGZPJMESA-N 1 3 350.551 2.767 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000417384425 514324455 /nfs/dbraw/zinc/32/44/55/514324455.db2.gz QCTOQECOBOHLKY-UHFFFAOYSA-N 1 3 362.543 2.569 20 0 FFADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417384078 514324577 /nfs/dbraw/zinc/32/45/77/514324577.db2.gz XGEHNFKBWULFTB-ZWKOTPCHSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@@H](C)CN1 ZINC000417384076 514325349 /nfs/dbraw/zinc/32/53/49/514325349.db2.gz XGEHNFKBWULFTB-ROUUACIJSA-N 1 3 358.530 2.954 20 0 FFADHO c1ccc(CCCOc2cccc(CNCCN3CC[NH2+]CC3)c2)cc1 ZINC000414862255 514329224 /nfs/dbraw/zinc/32/92/24/514329224.db2.gz HDCISGSUUSYHIH-UHFFFAOYSA-N 1 3 353.510 2.693 20 0 FFADHO COC[C@@]1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000414946221 514369661 /nfs/dbraw/zinc/36/96/61/514369661.db2.gz SBVYGDVOPHTBND-IBGZPJMESA-N 1 3 351.922 2.663 20 0 FFADHO COC[C@@]1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCCN1 ZINC000414946221 514369665 /nfs/dbraw/zinc/36/96/65/514369665.db2.gz SBVYGDVOPHTBND-IBGZPJMESA-N 1 3 351.922 2.663 20 0 FFADHO COCC1(CNCc2cc(Br)ccc2OC)CC[NH2+]CC1 ZINC000414965444 514379606 /nfs/dbraw/zinc/37/96/06/514379606.db2.gz ZKVOACLPRCKTIU-UHFFFAOYSA-N 1 3 357.292 2.564 20 0 FFADHO CSc1ccccc1C[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414986877 514388974 /nfs/dbraw/zinc/38/89/74/514388974.db2.gz OCEZHYAXKVINQA-XJKSGUPXSA-N 1 3 361.477 2.765 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N(C)Cc1ccccc1 ZINC000417575334 514416540 /nfs/dbraw/zinc/41/65/40/514416540.db2.gz FOTLIPWCICAVFO-PXNSSMCTSA-N 1 3 372.557 2.927 20 0 FFADHO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214504 514418706 /nfs/dbraw/zinc/41/87/06/514418706.db2.gz CTNRZPZMVXOCJE-UQVNRYHBSA-N 1 3 353.510 2.640 20 0 FFADHO CC1(C)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1 ZINC000417584939 514422481 /nfs/dbraw/zinc/42/24/81/514422481.db2.gz NRTPINOCSQKQJI-YQQQUEKLSA-N 1 3 356.514 2.575 20 0 FFADHO CC1(C)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1 ZINC000417584939 514422488 /nfs/dbraw/zinc/42/24/88/514422488.db2.gz NRTPINOCSQKQJI-YQQQUEKLSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC000417586640 514422661 /nfs/dbraw/zinc/42/26/61/514422661.db2.gz NCNPPUMUMNFMPT-JRGCBEDISA-N 1 3 366.509 2.562 20 0 FFADHO CC[NH+]1CCC(N2CCCN(CCc3ccc(F)c(F)c3)CC2)CC1 ZINC000420985168 514423980 /nfs/dbraw/zinc/42/39/80/514423980.db2.gz VSCZKYTTYCRDMR-UHFFFAOYSA-N 1 3 351.485 2.999 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000415085417 514436003 /nfs/dbraw/zinc/43/60/03/514436003.db2.gz IDPGQEBOBKUXIR-FPOVZHCZSA-N 1 3 351.494 2.757 20 0 FFADHO C[C@H]1C[C@@H](CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000415091494 514438401 /nfs/dbraw/zinc/43/84/01/514438401.db2.gz QIXWDZXPGPUQEH-HOTGVXAUSA-N 1 3 352.544 2.736 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000415090314 514439494 /nfs/dbraw/zinc/43/94/94/514439494.db2.gz YXSJYKJRLPZARM-SFHVURJKSA-N 1 3 351.494 2.605 20 0 FFADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1F ZINC000461116656 514519726 /nfs/dbraw/zinc/51/97/26/514519726.db2.gz ZFUKQOXTEUHEQU-GOSISDBHSA-N 1 3 371.928 2.910 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453116762 514549702 /nfs/dbraw/zinc/54/97/02/514549702.db2.gz YPCIMARZNBKHOL-NMIHRBCNSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453116762 514549711 /nfs/dbraw/zinc/54/97/11/514549711.db2.gz YPCIMARZNBKHOL-NMIHRBCNSA-N 1 3 357.542 2.740 20 0 FFADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000458128249 514580140 /nfs/dbraw/zinc/58/01/40/514580140.db2.gz NKMUWJAQJYNINI-LJQANCHMSA-N 1 3 350.551 2.813 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453262877 514582789 /nfs/dbraw/zinc/58/27/89/514582789.db2.gz LBKAKWCFEIGCCH-YUMYIRISSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453262877 514582790 /nfs/dbraw/zinc/58/27/90/514582790.db2.gz LBKAKWCFEIGCCH-YUMYIRISSA-N 1 3 357.542 2.618 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453262877 514582799 /nfs/dbraw/zinc/58/27/99/514582799.db2.gz LBKAKWCFEIGCCH-YUMYIRISSA-N 1 3 357.542 2.618 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000466348812 514617547 /nfs/dbraw/zinc/61/75/47/514617547.db2.gz XHZIKPOPTPOBCU-PWRODBHTSA-N 1 3 373.541 2.663 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000479541685 514623309 /nfs/dbraw/zinc/62/33/09/514623309.db2.gz LFYRURWWBIJUIX-MJGOQNOKSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000479541685 514623328 /nfs/dbraw/zinc/62/33/28/514623328.db2.gz LFYRURWWBIJUIX-MJGOQNOKSA-N 1 3 362.562 2.909 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000479562013 514632245 /nfs/dbraw/zinc/63/22/45/514632245.db2.gz IYXHUJQDOVVSFM-GOSISDBHSA-N 1 3 372.557 2.631 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000466500016 514666746 /nfs/dbraw/zinc/66/67/46/514666746.db2.gz RVGSXCIRZWJHNA-LSTHTHJFSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000466500016 514666752 /nfs/dbraw/zinc/66/67/52/514666752.db2.gz RVGSXCIRZWJHNA-LSTHTHJFSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000466550592 514686330 /nfs/dbraw/zinc/68/63/30/514686330.db2.gz FVTCHYCGYSYIQL-ZJSJBZJDSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000466550592 514686338 /nfs/dbraw/zinc/68/63/38/514686338.db2.gz FVTCHYCGYSYIQL-ZJSJBZJDSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000508163956 514692017 /nfs/dbraw/zinc/69/20/17/514692017.db2.gz PRBAQWPPQNHNEA-PKOBYXMFSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000479700617 514693969 /nfs/dbraw/zinc/69/39/69/514693969.db2.gz MQJKEYHSFWEJLO-MRXNPFEDSA-N 1 3 363.933 2.805 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466620564 514709881 /nfs/dbraw/zinc/70/98/81/514709881.db2.gz VHYLNSMVFXTVNK-APWZRJJASA-N 1 3 350.551 2.526 20 0 FFADHO COc1cc(C)c(C[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1OC ZINC000502707912 514747764 /nfs/dbraw/zinc/74/77/64/514747764.db2.gz NQAJIBKUOCDVJO-GOSISDBHSA-N 1 3 363.546 2.560 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000489329567 514801085 /nfs/dbraw/zinc/80/10/85/514801085.db2.gz VNASZJBASCNWRK-WLRLJWMZSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000489329567 514801094 /nfs/dbraw/zinc/80/10/94/514801094.db2.gz VNASZJBASCNWRK-WLRLJWMZSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000480050417 514824162 /nfs/dbraw/zinc/82/41/62/514824162.db2.gz VTMLIQKDACCYEL-KSEOMHKRSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480050417 514824165 /nfs/dbraw/zinc/82/41/65/514824165.db2.gz VTMLIQKDACCYEL-KSEOMHKRSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480050417 514824168 /nfs/dbraw/zinc/82/41/68/514824168.db2.gz VTMLIQKDACCYEL-KSEOMHKRSA-N 1 3 359.558 2.843 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000508579740 514828728 /nfs/dbraw/zinc/82/87/28/514828728.db2.gz QPSGVSBHPSUEDM-VQTJNVASSA-N 1 3 361.530 2.560 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000466923913 514829428 /nfs/dbraw/zinc/82/94/28/514829428.db2.gz NIKZXJLDLBOPFQ-CMKODMSKSA-N 1 3 362.562 2.623 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000466935256 514833793 /nfs/dbraw/zinc/83/37/93/514833793.db2.gz UBBPFZXDJDXQSC-XLIONFOSSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000466935256 514833799 /nfs/dbraw/zinc/83/37/99/514833799.db2.gz UBBPFZXDJDXQSC-XLIONFOSSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000458544166 514886135 /nfs/dbraw/zinc/88/61/35/514886135.db2.gz FLJZFUDBBUVYEV-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000458544166 514886145 /nfs/dbraw/zinc/88/61/45/514886145.db2.gz FLJZFUDBBUVYEV-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471583661 514939796 /nfs/dbraw/zinc/93/97/96/514939796.db2.gz AYXKKPGBWQDTPH-NRSPTQNISA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471583661 514939809 /nfs/dbraw/zinc/93/98/09/514939809.db2.gz AYXKKPGBWQDTPH-NRSPTQNISA-N 1 3 370.541 2.634 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000508901962 514948353 /nfs/dbraw/zinc/94/83/53/514948353.db2.gz VLZWVIHNLQEVJJ-FTEYMNFISA-N 1 3 358.530 2.864 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000508901962 514948364 /nfs/dbraw/zinc/94/83/64/514948364.db2.gz VLZWVIHNLQEVJJ-FTEYMNFISA-N 1 3 358.530 2.864 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000462221767 514948433 /nfs/dbraw/zinc/94/84/33/514948433.db2.gz DFSOULSLVLYXSM-DYXWJJEUSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458634909 514975906 /nfs/dbraw/zinc/97/59/06/514975906.db2.gz QJGXQMCPZMJNNN-KSZLIROESA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458634909 514975917 /nfs/dbraw/zinc/97/59/17/514975917.db2.gz QJGXQMCPZMJNNN-KSZLIROESA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458636996 514977627 /nfs/dbraw/zinc/97/76/27/514977627.db2.gz CIEQAOFXYCMEKE-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458636996 514977636 /nfs/dbraw/zinc/97/76/36/514977636.db2.gz CIEQAOFXYCMEKE-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000458640535 514981348 /nfs/dbraw/zinc/98/13/48/514981348.db2.gz VPDBKBKOFQAVFL-YQVWRLOYSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000458640535 514981353 /nfs/dbraw/zinc/98/13/53/514981353.db2.gz VPDBKBKOFQAVFL-YQVWRLOYSA-N 1 3 350.551 2.764 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467410316 514998936 /nfs/dbraw/zinc/99/89/36/514998936.db2.gz GEMGWBDGVZWXJH-RVKKMQEKSA-N 1 3 351.922 2.995 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCN3CCC[C@@H](C)C3)C2)CC1 ZINC000503470139 515045542 /nfs/dbraw/zinc/04/55/42/515045542.db2.gz MGVOIFFUDZEGCB-UXHICEINSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000458732802 515051798 /nfs/dbraw/zinc/05/17/98/515051798.db2.gz LUDMJUNRYRJYMF-PXNSSMCTSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000458732802 515051805 /nfs/dbraw/zinc/05/18/05/515051805.db2.gz LUDMJUNRYRJYMF-PXNSSMCTSA-N 1 3 362.562 2.909 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000458743737 515060170 /nfs/dbraw/zinc/06/01/70/515060170.db2.gz OGAZSWAZFDBNOK-IFMALSPDSA-N 1 3 370.541 2.636 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000458743737 515060181 /nfs/dbraw/zinc/06/01/81/515060181.db2.gz OGAZSWAZFDBNOK-IFMALSPDSA-N 1 3 370.541 2.636 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000458743740 515060648 /nfs/dbraw/zinc/06/06/48/515060648.db2.gz OGAZSWAZFDBNOK-UNMCSNQZSA-N 1 3 370.541 2.636 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000458743740 515060652 /nfs/dbraw/zinc/06/06/52/515060652.db2.gz OGAZSWAZFDBNOK-UNMCSNQZSA-N 1 3 370.541 2.636 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccco1 ZINC000458751933 515065483 /nfs/dbraw/zinc/06/54/83/515065483.db2.gz CATBJODIBAIZFN-GVDBMIGSSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccco1 ZINC000458751933 515065503 /nfs/dbraw/zinc/06/55/03/515065503.db2.gz CATBJODIBAIZFN-GVDBMIGSSA-N 1 3 350.507 2.833 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000480768611 515076558 /nfs/dbraw/zinc/07/65/58/515076558.db2.gz KSTXLULQTBJTTE-INIZCTEOSA-N 1 3 367.509 2.911 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000458771594 515078004 /nfs/dbraw/zinc/07/80/04/515078004.db2.gz IAXOQKLOLVVPON-YSIASYRMSA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000458771594 515078011 /nfs/dbraw/zinc/07/80/11/515078011.db2.gz IAXOQKLOLVVPON-YSIASYRMSA-N 1 3 358.530 2.774 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccco1 ZINC000458773775 515080544 /nfs/dbraw/zinc/08/05/44/515080544.db2.gz PVAYETGOPOFCBE-SQGPQFPESA-N 1 3 362.518 2.836 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccco1 ZINC000458773775 515080558 /nfs/dbraw/zinc/08/05/58/515080558.db2.gz PVAYETGOPOFCBE-SQGPQFPESA-N 1 3 362.518 2.836 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000485616498 515115798 /nfs/dbraw/zinc/11/57/98/515115798.db2.gz AZAKDACNZXSDFU-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)N2CCCN(C)CC2)CCCC1)c1ccccc1 ZINC000503707091 515127239 /nfs/dbraw/zinc/12/72/39/515127239.db2.gz HHGKXELLCLJQLC-SFHVURJKSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000467870009 515150443 /nfs/dbraw/zinc/15/04/43/515150443.db2.gz ZQRZQXBMGYOQPB-ZFWWWQNUSA-N 1 3 368.319 2.687 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476679867 515156253 /nfs/dbraw/zinc/15/62/53/515156253.db2.gz BJIQZASUHNLJHM-IRXDYDNUSA-N 1 3 362.543 2.763 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476679867 515156256 /nfs/dbraw/zinc/15/62/56/515156256.db2.gz BJIQZASUHNLJHM-IRXDYDNUSA-N 1 3 362.543 2.763 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C[NH+]1CCCC1 ZINC000480972069 515156595 /nfs/dbraw/zinc/15/65/95/515156595.db2.gz PTAZMSKJYRFUQU-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[C@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCCCCC1 ZINC000481027054 515177988 /nfs/dbraw/zinc/17/79/88/515177988.db2.gz UPJYFSQSRNKJSS-HKUYNNGSSA-N 1 3 370.607 2.624 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000472272282 515194500 /nfs/dbraw/zinc/19/45/00/515194500.db2.gz DHRONIGDKRXTHJ-GOSISDBHSA-N 1 3 358.486 2.712 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000472272309 515195079 /nfs/dbraw/zinc/19/50/79/515195079.db2.gz DHRONIGDKRXTHJ-SFHVURJKSA-N 1 3 358.486 2.712 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000499126515 515211739 /nfs/dbraw/zinc/21/17/39/515211739.db2.gz WVMDVDKILWTUDN-VBSBHUPXSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000458941342 515218302 /nfs/dbraw/zinc/21/83/02/515218302.db2.gz SQPTZQXMPHMAHI-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO CN1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462735502 515218982 /nfs/dbraw/zinc/21/89/82/515218982.db2.gz BOHPXUZDHIUBRS-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO CN1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462735502 515218987 /nfs/dbraw/zinc/21/89/87/515218987.db2.gz BOHPXUZDHIUBRS-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462801193 515251425 /nfs/dbraw/zinc/25/14/25/515251425.db2.gz IDRKXYYJEISJNZ-HKUYNNGSSA-N 1 3 363.571 2.698 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN([C@H](CC)CO)CC3)c2cc1OCC ZINC000462927452 515303518 /nfs/dbraw/zinc/30/35/18/515303518.db2.gz PHPUIZINBPILDD-MRXNPFEDSA-N 1 3 373.497 2.925 20 0 FFADHO COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OCCC(C)C ZINC000504446238 515308675 /nfs/dbraw/zinc/30/86/75/515308675.db2.gz PGRIOMHYLWSDFQ-LJQANCHMSA-N 1 3 361.530 2.600 20 0 FFADHO CC[NH+](CC)CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000504560325 515329608 /nfs/dbraw/zinc/32/96/08/515329608.db2.gz XXTGRJOEOLFQCM-SFHVURJKSA-N 1 3 367.484 2.992 20 0 FFADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000472602765 515334081 /nfs/dbraw/zinc/33/40/81/515334081.db2.gz JVXJAINLCVASOF-UHFFFAOYSA-N 1 3 360.590 2.903 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC(C)(C)C[NH+](C)C)c(C)c2)CC1 ZINC000454268836 515353135 /nfs/dbraw/zinc/35/31/35/515353135.db2.gz KRBXMJATDZTYEF-UHFFFAOYSA-N 1 3 361.534 2.599 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000491012718 515355380 /nfs/dbraw/zinc/35/53/80/515355380.db2.gz YKNYRARFEDQPEB-OFNKIYASSA-N 1 3 370.585 2.657 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000486221454 515386064 /nfs/dbraw/zinc/38/60/64/515386064.db2.gz HLAIUVVNDNHVCX-FQEVSTJZSA-N 1 3 361.530 2.544 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1c(F)cccc1F ZINC000486274910 515411664 /nfs/dbraw/zinc/41/16/64/515411664.db2.gz ZXIZVIKHJUTERV-CVEARBPZSA-N 1 3 367.484 2.943 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1c(F)cccc1F ZINC000486274910 515411668 /nfs/dbraw/zinc/41/16/68/515411668.db2.gz ZXIZVIKHJUTERV-CVEARBPZSA-N 1 3 367.484 2.943 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486276191 515414710 /nfs/dbraw/zinc/41/47/10/515414710.db2.gz PHFHNLNAAHFNER-SFHLNBCPSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486276191 515414718 /nfs/dbraw/zinc/41/47/18/515414718.db2.gz PHFHNLNAAHFNER-SFHLNBCPSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)N1CCC(O)(C[NH2+][C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)CC1 ZINC000468559011 515414728 /nfs/dbraw/zinc/41/47/28/515414728.db2.gz GGJJNDPYEWLNKP-PZJWPPBQSA-N 1 3 359.558 2.722 20 0 FFADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463284256 515429172 /nfs/dbraw/zinc/42/91/72/515429172.db2.gz PGFQJKLIDHDXES-PLMTUMEDSA-N 1 3 362.514 2.722 20 0 FFADHO C[C@@H]1C[C@@H](NC[C@@](C)(O)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463284256 515429178 /nfs/dbraw/zinc/42/91/78/515429178.db2.gz PGFQJKLIDHDXES-PLMTUMEDSA-N 1 3 362.514 2.722 20 0 FFADHO COCC[N@H+](C)CC[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000468815865 515532643 /nfs/dbraw/zinc/53/26/43/515532643.db2.gz DVWRALTYVXWPCZ-BJLQDIEVSA-N 1 3 361.530 2.685 20 0 FFADHO COCC[N@@H+](C)CC[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000468815865 515532653 /nfs/dbraw/zinc/53/26/53/515532653.db2.gz DVWRALTYVXWPCZ-BJLQDIEVSA-N 1 3 361.530 2.685 20 0 FFADHO O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459420201 515539698 /nfs/dbraw/zinc/53/96/98/515539698.db2.gz VPLUXHUMYMZXRR-OALUTQOASA-N 1 3 361.436 2.877 20 0 FFADHO O=C1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1c1c(F)cccc1F ZINC000459456846 515566567 /nfs/dbraw/zinc/56/65/67/515566567.db2.gz FECHHUGYCIUWHJ-HNNXBMFYSA-N 1 3 372.419 2.724 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000510526068 515569655 /nfs/dbraw/zinc/56/96/55/515569655.db2.gz OPWCNTFFLUQAOW-JXFKEZNVSA-N 1 3 358.530 2.801 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000510526068 515569661 /nfs/dbraw/zinc/56/96/61/515569661.db2.gz OPWCNTFFLUQAOW-JXFKEZNVSA-N 1 3 358.530 2.801 20 0 FFADHO COC(=O)[C@@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459498624 515595858 /nfs/dbraw/zinc/59/58/58/515595858.db2.gz VQAADTRFELFZID-NRFANRHFSA-N 1 3 353.466 2.771 20 0 FFADHO OC[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC000459499013 515599430 /nfs/dbraw/zinc/59/94/30/515599430.db2.gz BVBSRHMDPNASHS-NHCUHLMSSA-N 1 3 355.457 2.945 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC000468973454 515608947 /nfs/dbraw/zinc/60/89/47/515608947.db2.gz OHMJQYSONDESHR-NRFANRHFSA-N 1 3 374.573 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000469030829 515636520 /nfs/dbraw/zinc/63/65/20/515636520.db2.gz SSWDEBIFBXIINQ-QWFCFKBJSA-N 1 3 358.530 2.767 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000454657009 515644624 /nfs/dbraw/zinc/64/46/24/515644624.db2.gz ZQCULECKWIROCB-WSTZPKSXSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@H+]1C ZINC000454657009 515644633 /nfs/dbraw/zinc/64/46/33/515644633.db2.gz ZQCULECKWIROCB-WSTZPKSXSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473523984 515646958 /nfs/dbraw/zinc/64/69/58/515646958.db2.gz HWIABFHQPDFLPX-VRLRAXNCSA-N 1 3 361.452 2.781 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000493924814 515687238 /nfs/dbraw/zinc/68/72/38/515687238.db2.gz GRIRFFOGGOAUIA-LPHOPBHVSA-N 1 3 364.509 2.848 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000493924814 515687247 /nfs/dbraw/zinc/68/72/47/515687247.db2.gz GRIRFFOGGOAUIA-LPHOPBHVSA-N 1 3 364.509 2.848 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000482494302 515693419 /nfs/dbraw/zinc/69/34/19/515693419.db2.gz JEOOKAIFCPGWMS-HZPDHXFCSA-N 1 3 367.509 2.767 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000500477960 515732696 /nfs/dbraw/zinc/73/26/96/515732696.db2.gz CZOPZRHDFVHSHD-AZUAARDMSA-N 1 3 373.541 2.877 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNCc2cnc3ccc(Br)cn23)C1 ZINC000459727964 515774275 /nfs/dbraw/zinc/77/42/75/515774275.db2.gz HVQFEFZSFUNMPX-CYBMUJFWSA-N 1 3 351.292 2.918 20 0 FFADHO C[N@H+]1CCC[C@H](CCNCc2cnc3ccc(Br)cn23)C1 ZINC000459727964 515774283 /nfs/dbraw/zinc/77/42/83/515774283.db2.gz HVQFEFZSFUNMPX-CYBMUJFWSA-N 1 3 351.292 2.918 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)Cc1ccccc1 ZINC000478420651 515816301 /nfs/dbraw/zinc/81/63/01/515816301.db2.gz OXWQLVLBWLGCMJ-LJQANCHMSA-N 1 3 360.546 2.581 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)Cc1ccccc1 ZINC000478420648 515817260 /nfs/dbraw/zinc/81/72/60/515817260.db2.gz OXWQLVLBWLGCMJ-IBGZPJMESA-N 1 3 360.546 2.581 20 0 FFADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC/C=C/c3ccncc3)c2)C1 ZINC000487315856 515826500 /nfs/dbraw/zinc/82/65/00/515826500.db2.gz ZEMIYDVDYBWBFM-HTXHHYGKSA-N 1 3 364.493 2.582 20 0 FFADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC/C=C/c3ccncc3)c2)C1 ZINC000487315856 515826510 /nfs/dbraw/zinc/82/65/10/515826510.db2.gz ZEMIYDVDYBWBFM-HTXHHYGKSA-N 1 3 364.493 2.582 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000457379644 515838608 /nfs/dbraw/zinc/83/86/08/515838608.db2.gz UEBUNBZNMZDFER-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000457379644 515838618 /nfs/dbraw/zinc/83/86/18/515838618.db2.gz UEBUNBZNMZDFER-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN(C2CCC2)C1 ZINC000487519430 515888592 /nfs/dbraw/zinc/88/85/92/515888592.db2.gz LGXRUDVWAPEQIV-HNNXBMFYSA-N 1 3 350.551 2.811 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)C2)C1 ZINC000457501041 515921983 /nfs/dbraw/zinc/92/19/83/515921983.db2.gz OMRDXTSTOLEKCW-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000494681431 515922205 /nfs/dbraw/zinc/92/22/05/515922205.db2.gz SFASHHBTXPHURY-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000494681431 515922212 /nfs/dbraw/zinc/92/22/12/515922212.db2.gz SFASHHBTXPHURY-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN(C2CC2)C1 ZINC000457507226 515927154 /nfs/dbraw/zinc/92/71/54/515927154.db2.gz JYWMCCKURRXQOD-GOSISDBHSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN(C2CC2)C1 ZINC000457507229 515927365 /nfs/dbraw/zinc/92/73/65/515927365.db2.gz JYWMCCKURRXQOD-SFHVURJKSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501024927 515941353 /nfs/dbraw/zinc/94/13/53/515941353.db2.gz OWYOLENVMXMBDF-PXNSSMCTSA-N 1 3 358.530 2.925 20 0 FFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(OC)c(OC)c1 ZINC000501101597 515980708 /nfs/dbraw/zinc/98/07/08/515980708.db2.gz OOGXPORGZHAZSP-UHFFFAOYSA-N 1 3 363.546 2.942 20 0 FFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(OC)c(OC)c1 ZINC000501101597 515980712 /nfs/dbraw/zinc/98/07/12/515980712.db2.gz OOGXPORGZHAZSP-UHFFFAOYSA-N 1 3 363.546 2.942 20 0 FFADHO [NH3+]CCCOC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000469852944 515997456 /nfs/dbraw/zinc/99/74/56/515997456.db2.gz JBJUFJJEHRQOMC-UHFFFAOYSA-N 1 3 355.482 2.990 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487834625 515999164 /nfs/dbraw/zinc/99/91/64/515999164.db2.gz IMGFGWUONZHXHQ-PIKOESSRSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487834625 515999173 /nfs/dbraw/zinc/99/91/73/515999173.db2.gz IMGFGWUONZHXHQ-PIKOESSRSA-N 1 3 370.541 2.821 20 0 FFADHO OC1CC[NH+](CCCN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494900086 516002887 /nfs/dbraw/zinc/00/28/87/516002887.db2.gz HAPMSRAZCMQMSI-OXQOHEQNSA-N 1 3 350.478 2.730 20 0 FFADHO CC(C)COc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469868162 516006254 /nfs/dbraw/zinc/00/62/54/516006254.db2.gz YAZQWVZDQDXJNZ-PZJWPPBQSA-N 1 3 373.541 2.802 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000469904410 516024272 /nfs/dbraw/zinc/02/42/72/516024272.db2.gz GXGJNYYMXHZLBJ-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506933336 516028078 /nfs/dbraw/zinc/02/80/78/516028078.db2.gz OGBBHRYNWPPIMF-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506933336 516028090 /nfs/dbraw/zinc/02/80/90/516028090.db2.gz OGBBHRYNWPPIMF-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1nccn1CCCC[N@@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511801082 516037266 /nfs/dbraw/zinc/03/72/66/516037266.db2.gz ZRWVMGHWWQPIJP-UHFFFAOYSA-N 1 3 369.557 2.721 20 0 FFADHO Cc1nccn1CCCC[N@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511801082 516037278 /nfs/dbraw/zinc/03/72/78/516037278.db2.gz ZRWVMGHWWQPIJP-UHFFFAOYSA-N 1 3 369.557 2.721 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000487964844 516055607 /nfs/dbraw/zinc/05/56/07/516055607.db2.gz QXAPKHXRKDXXIF-VJANTYMQSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000487964844 516055614 /nfs/dbraw/zinc/05/56/14/516055614.db2.gz QXAPKHXRKDXXIF-VJANTYMQSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000487964842 516056128 /nfs/dbraw/zinc/05/61/28/516056128.db2.gz QXAPKHXRKDXXIF-INDMIFKZSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000487964842 516056139 /nfs/dbraw/zinc/05/61/39/516056139.db2.gz QXAPKHXRKDXXIF-INDMIFKZSA-N 1 3 364.578 2.869 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@H]1C ZINC000474465914 516058311 /nfs/dbraw/zinc/05/83/11/516058311.db2.gz ARGAVXFAAZETHE-YYWHXJBOSA-N 1 3 373.541 2.501 20 0 FFADHO CC1=CCN(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000460220777 516073970 /nfs/dbraw/zinc/07/39/70/516073970.db2.gz JVEBSVJXHAOZDC-KRWDZBQOSA-N 1 3 362.543 2.836 20 0 FFADHO CC(C)[C@H](CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)[NH+]1CCC(C)CC1 ZINC000457697324 516078115 /nfs/dbraw/zinc/07/81/15/516078115.db2.gz XUGSTWZITFLMTI-PZJWPPBQSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000474516913 516078267 /nfs/dbraw/zinc/07/82/67/516078267.db2.gz HHYSCZYSHMBWQF-AFVILVPDSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488018097 516081171 /nfs/dbraw/zinc/08/11/71/516081171.db2.gz PZFQTGBFOPEZOL-DWIKVQACSA-N 1 3 364.578 2.725 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488018097 516081182 /nfs/dbraw/zinc/08/11/82/516081182.db2.gz PZFQTGBFOPEZOL-DWIKVQACSA-N 1 3 364.578 2.725 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000488035567 516089612 /nfs/dbraw/zinc/08/96/12/516089612.db2.gz OPFFQKRUINZCBY-SLYNCCJLSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000488035567 516089622 /nfs/dbraw/zinc/08/96/22/516089622.db2.gz OPFFQKRUINZCBY-SLYNCCJLSA-N 1 3 356.514 2.559 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1sc(C)nc1C ZINC000465242023 516104984 /nfs/dbraw/zinc/10/49/84/516104984.db2.gz KVCCYYLXJFCUIJ-OAHLLOKOSA-N 1 3 353.536 2.640 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1sc(C)nc1C ZINC000465242023 516104995 /nfs/dbraw/zinc/10/49/95/516104995.db2.gz KVCCYYLXJFCUIJ-OAHLLOKOSA-N 1 3 353.536 2.640 20 0 FFADHO NC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000479207998 516108141 /nfs/dbraw/zinc/10/81/41/516108141.db2.gz UCKFEGJAODBXFC-PXNSSMCTSA-N 1 3 361.505 2.983 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000479218178 516113028 /nfs/dbraw/zinc/11/30/28/516113028.db2.gz FEOZEXUVQZTUBA-CDHQVMDDSA-N 1 3 355.457 2.820 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457743895 516114530 /nfs/dbraw/zinc/11/45/30/516114530.db2.gz REYHMVGZTRIFQJ-QUCCMNQESA-N 1 3 350.551 2.626 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457743895 516114540 /nfs/dbraw/zinc/11/45/40/516114540.db2.gz REYHMVGZTRIFQJ-QUCCMNQESA-N 1 3 350.551 2.626 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000501498709 516127367 /nfs/dbraw/zinc/12/73/67/516127367.db2.gz AJPAOFCAFGZFFA-RBUKOAKNSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000501498709 516127375 /nfs/dbraw/zinc/12/73/75/516127375.db2.gz AJPAOFCAFGZFFA-RBUKOAKNSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488172499 516143830 /nfs/dbraw/zinc/14/38/30/516143830.db2.gz BJTCFTHUCNKKCI-IRFCIJBXSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488172499 516143842 /nfs/dbraw/zinc/14/38/42/516143842.db2.gz BJTCFTHUCNKKCI-IRFCIJBXSA-N 1 3 372.557 2.880 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)N(C)C)cc1 ZINC000465427393 516149546 /nfs/dbraw/zinc/14/95/46/516149546.db2.gz CLTZQZQZXGSWGU-PMACEKPBSA-N 1 3 360.546 2.977 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)N(C)C)cc1 ZINC000465427398 516150318 /nfs/dbraw/zinc/15/03/18/516150318.db2.gz CLTZQZQZXGSWGU-VQTJNVASSA-N 1 3 360.546 2.977 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000460472534 516161373 /nfs/dbraw/zinc/16/13/73/516161373.db2.gz XMLGUVDTYHUKSI-MSOLQXFVSA-N 1 3 350.551 2.909 20 0 FFADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000479361140 516164978 /nfs/dbraw/zinc/16/49/78/516164978.db2.gz PPNPGTOWBCKZLS-OAQYLSRUSA-N 1 3 367.541 2.990 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000465538048 516186292 /nfs/dbraw/zinc/18/62/92/516186292.db2.gz HYBSFKQPXNHZKP-FFZOFVMBSA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000465538048 516186302 /nfs/dbraw/zinc/18/63/02/516186302.db2.gz HYBSFKQPXNHZKP-FFZOFVMBSA-N 1 3 358.530 2.605 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000507409183 516203914 /nfs/dbraw/zinc/20/39/14/516203914.db2.gz QVUWVVZAEVTEGY-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000507409183 516203923 /nfs/dbraw/zinc/20/39/23/516203923.db2.gz QVUWVVZAEVTEGY-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1C ZINC000465592733 516206364 /nfs/dbraw/zinc/20/63/64/516206364.db2.gz GEZKKMPRRDQWLH-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1sccc1C ZINC000465730942 516241585 /nfs/dbraw/zinc/24/15/85/516241585.db2.gz ZPPHCNKRJLPTJO-INIZCTEOSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1sccc1C ZINC000465730942 516241593 /nfs/dbraw/zinc/24/15/93/516241593.db2.gz ZPPHCNKRJLPTJO-INIZCTEOSA-N 1 3 352.548 2.614 20 0 FFADHO CC(C)[C@H]1N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CCC2 ZINC000488502690 516242540 /nfs/dbraw/zinc/24/25/40/516242540.db2.gz NAHAKXZZEZFXQH-LJQANCHMSA-N 1 3 362.562 2.765 20 0 FFADHO CC[N@H+](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C(C)C ZINC000512334315 516243403 /nfs/dbraw/zinc/24/34/03/516243403.db2.gz PONOAJMTKMHTRR-GOSISDBHSA-N 1 3 367.484 2.990 20 0 FFADHO CC[N@@H+](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C(C)C ZINC000512334315 516243409 /nfs/dbraw/zinc/24/34/09/516243409.db2.gz PONOAJMTKMHTRR-GOSISDBHSA-N 1 3 367.484 2.990 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000488595474 516270083 /nfs/dbraw/zinc/27/00/83/516270083.db2.gz NBHUNHXKQUYZGI-KRWDZBQOSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000496646861 516274566 /nfs/dbraw/zinc/27/45/66/516274566.db2.gz DIXAMVACXJFQSX-ZWKOTPCHSA-N 1 3 350.482 2.602 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000496646861 516274570 /nfs/dbraw/zinc/27/45/70/516274570.db2.gz DIXAMVACXJFQSX-ZWKOTPCHSA-N 1 3 350.482 2.602 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCSc4ccccc43)CC2)CC1 ZINC000460945430 516288419 /nfs/dbraw/zinc/28/84/19/516288419.db2.gz KWYPQBDUQVEJQL-LJQANCHMSA-N 1 3 373.566 2.941 20 0 FFADHO C[C@]1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCC[NH2+]C1 ZINC000497331104 516309152 /nfs/dbraw/zinc/30/91/52/516309152.db2.gz HMQNSMHXYCCQAX-FCHUYYIVSA-N 1 3 355.526 2.891 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000507869160 516316361 /nfs/dbraw/zinc/31/63/61/516316361.db2.gz UEENBZJKWCQOJW-UHFFFAOYSA-N 1 3 371.529 2.526 20 0 FFADHO CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000512637085 516316725 /nfs/dbraw/zinc/31/67/25/516316725.db2.gz RHVNYDCZFQVCPL-JSXRDJHFSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000497451039 516322665 /nfs/dbraw/zinc/32/26/65/516322665.db2.gz HWDBUONHHZSAEC-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000497623949 516328379 /nfs/dbraw/zinc/32/83/79/516328379.db2.gz PRVXKTISSBLNDN-SQNIBIBYSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000497623949 516328380 /nfs/dbraw/zinc/32/83/80/516328380.db2.gz PRVXKTISSBLNDN-SQNIBIBYSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCS[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000557624564 516342201 /nfs/dbraw/zinc/34/22/01/516342201.db2.gz FHOIRCWCVZHJQV-HOTGVXAUSA-N 1 3 353.576 2.535 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)N1CCN(C)CC1 ZINC000550608425 516351085 /nfs/dbraw/zinc/35/10/85/516351085.db2.gz GPCVVPZVNGKTTN-FSSWDIPSSA-N 1 3 358.574 2.684 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)NCCN(C)C2CC2)CC1)CC1CC1 ZINC000540009264 516398301 /nfs/dbraw/zinc/39/83/01/516398301.db2.gz ITCZDHDNMZMCRD-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)NCCN(C)C2CC2)CC1)CC1CC1 ZINC000540009264 516398306 /nfs/dbraw/zinc/39/83/06/516398306.db2.gz ITCZDHDNMZMCRD-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000531357558 516425805 /nfs/dbraw/zinc/42/58/05/516425805.db2.gz BIQZVFZYFMFCKS-UHFFFAOYSA-N 1 3 360.329 2.878 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000561179334 516431593 /nfs/dbraw/zinc/43/15/93/516431593.db2.gz XVSWYCFQOVFDEG-GOEBONIOSA-N 1 3 350.532 2.572 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000523337914 516442111 /nfs/dbraw/zinc/44/21/11/516442111.db2.gz AMJMFLVHBDUDJP-WSTZPKSXSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000523337914 516442125 /nfs/dbraw/zinc/44/21/25/516442125.db2.gz AMJMFLVHBDUDJP-WSTZPKSXSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000561202032 516447909 /nfs/dbraw/zinc/44/79/09/516447909.db2.gz QKAHWAABHASRFP-GPQLQYNLSA-N 1 3 370.541 2.728 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000540162097 516458771 /nfs/dbraw/zinc/45/87/71/516458771.db2.gz FUYBGNWYZYZFSO-HQRMLTQVSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000540162097 516458778 /nfs/dbraw/zinc/45/87/78/516458778.db2.gz FUYBGNWYZYZFSO-HQRMLTQVSA-N 1 3 362.514 2.725 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000523533782 516498538 /nfs/dbraw/zinc/49/85/38/516498538.db2.gz NAELJLSSAVXDEV-ICSRJNTNSA-N 1 3 360.546 2.881 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000523533782 516498545 /nfs/dbraw/zinc/49/85/45/516498545.db2.gz NAELJLSSAVXDEV-ICSRJNTNSA-N 1 3 360.546 2.881 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000523533302 516499026 /nfs/dbraw/zinc/49/90/26/516499026.db2.gz WDQQGHRNLWSROM-GHTZIAJQSA-N 1 3 372.557 2.853 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000523533302 516499041 /nfs/dbraw/zinc/49/90/41/516499041.db2.gz WDQQGHRNLWSROM-GHTZIAJQSA-N 1 3 372.557 2.853 20 0 FFADHO C[N@H+](CCCNC(=O)N1CC[C@H](N2CCCCC2)C1)Cc1ccccc1 ZINC000518083218 516544037 /nfs/dbraw/zinc/54/40/37/516544037.db2.gz RDTMXBAVCUHBFV-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CC[C@H](N2CCCCC2)C1)Cc1ccccc1 ZINC000518083218 516544045 /nfs/dbraw/zinc/54/40/45/516544045.db2.gz RDTMXBAVCUHBFV-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000531685060 516595319 /nfs/dbraw/zinc/59/53/19/516595319.db2.gz TXIANDZNPOMJKU-IRLDBZIGSA-N 1 3 358.574 2.514 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000518270888 516597560 /nfs/dbraw/zinc/59/75/60/516597560.db2.gz UVVYYMKNMXJLJK-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000518270888 516597574 /nfs/dbraw/zinc/59/75/74/516597574.db2.gz UVVYYMKNMXJLJK-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N2CCN3CCC2CC3)c2ccccc2)CC1 ZINC000551268956 516634491 /nfs/dbraw/zinc/63/44/91/516634491.db2.gz RLXRIIRBUPYLKF-NRFANRHFSA-N 1 3 370.541 2.949 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528709630 516635130 /nfs/dbraw/zinc/63/51/30/516635130.db2.gz DPZCTVIHKDMBGY-INIZCTEOSA-N 1 3 358.486 2.508 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000518395867 516642937 /nfs/dbraw/zinc/64/29/37/516642937.db2.gz UTQOPHBXMYPWRZ-NQIIRXRSSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000518395867 516642950 /nfs/dbraw/zinc/64/29/50/516642950.db2.gz UTQOPHBXMYPWRZ-NQIIRXRSSA-N 1 3 369.553 2.930 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc([C@H]2CCCO2)s1 ZINC000554883122 516678410 /nfs/dbraw/zinc/67/84/10/516678410.db2.gz WNNDXCBDDRAQKI-FUHWJXTLSA-N 1 3 366.575 2.843 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc([C@H]2CCCO2)s1 ZINC000554883123 516679954 /nfs/dbraw/zinc/67/99/54/516679954.db2.gz WNNDXCBDDRAQKI-SJLPKXTDSA-N 1 3 366.575 2.843 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000518562186 516707126 /nfs/dbraw/zinc/70/71/26/516707126.db2.gz BIGDDZSGTCIXLK-MCIONIFRSA-N 1 3 359.283 2.599 20 0 FFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000518562186 516707129 /nfs/dbraw/zinc/70/71/29/516707129.db2.gz BIGDDZSGTCIXLK-MCIONIFRSA-N 1 3 359.283 2.599 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000558377577 516710386 /nfs/dbraw/zinc/71/03/86/516710386.db2.gz UUYNFYNJHUUKRI-NVXWUHKLSA-N 1 3 350.507 2.881 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000544349409 516716413 /nfs/dbraw/zinc/71/64/13/516716413.db2.gz VTZVKIFTXYSVJM-XGHQBKJUSA-N 1 3 369.513 2.649 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000544349409 516716419 /nfs/dbraw/zinc/71/64/19/516716419.db2.gz VTZVKIFTXYSVJM-XGHQBKJUSA-N 1 3 369.513 2.649 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000518628920 516728531 /nfs/dbraw/zinc/72/85/31/516728531.db2.gz UFLKTRKCBQPCTH-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO O=C(NCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000513714188 516728812 /nfs/dbraw/zinc/72/88/12/516728812.db2.gz ZWIUVDGQBQAFDR-QHAWAJNXSA-N 1 3 355.526 2.793 20 0 FFADHO O=C(NCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000513714188 516728820 /nfs/dbraw/zinc/72/88/20/516728820.db2.gz ZWIUVDGQBQAFDR-QHAWAJNXSA-N 1 3 355.526 2.793 20 0 FFADHO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000513714188 516728830 /nfs/dbraw/zinc/72/88/30/516728830.db2.gz ZWIUVDGQBQAFDR-QHAWAJNXSA-N 1 3 355.526 2.793 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@@H](C)C1 ZINC000551565312 516763623 /nfs/dbraw/zinc/76/36/23/516763623.db2.gz STGJMMDQWZWGKK-HOCLYGCPSA-N 1 3 357.445 2.910 20 0 FFADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCN1CCN(C)CC1)CC3 ZINC000540908550 516765855 /nfs/dbraw/zinc/76/58/55/516765855.db2.gz ICANVSZHMBZRGQ-SFHVURJKSA-N 1 3 354.542 2.951 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000524782948 516830506 /nfs/dbraw/zinc/83/05/06/516830506.db2.gz CIZAPOBOCLPANA-WMZOPIPTSA-N 1 3 366.575 2.737 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000524782948 516830511 /nfs/dbraw/zinc/83/05/11/516830511.db2.gz CIZAPOBOCLPANA-WMZOPIPTSA-N 1 3 366.575 2.737 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1C(F)(F)F ZINC000532215334 516860962 /nfs/dbraw/zinc/86/09/62/516860962.db2.gz SMMRBDGHJQEFHT-UONOGXRCSA-N 1 3 357.420 2.943 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000562161869 516936949 /nfs/dbraw/zinc/93/69/49/516936949.db2.gz FVFAONCJPCOXQE-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000562161869 516936958 /nfs/dbraw/zinc/93/69/58/516936958.db2.gz FVFAONCJPCOXQE-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000552064530 517058794 /nfs/dbraw/zinc/05/87/94/517058794.db2.gz XHIMVSXGPIRJLY-PMACEKPBSA-N 1 3 372.557 2.998 20 0 FFADHO Cc1cc(C)n(CCN(C)[C@@H]2CCC[N@H+](CCn3nc(C)cc3C)CC2)n1 ZINC000559066484 517065723 /nfs/dbraw/zinc/06/57/23/517065723.db2.gz BRFFZJQJESCPOO-OAQYLSRUSA-N 1 3 372.561 2.800 20 0 FFADHO Cc1cc(C)n(CCN(C)[C@@H]2CCC[N@@H+](CCn3nc(C)cc3C)CC2)n1 ZINC000559066484 517065732 /nfs/dbraw/zinc/06/57/32/517065732.db2.gz BRFFZJQJESCPOO-OAQYLSRUSA-N 1 3 372.561 2.800 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529357908 517099802 /nfs/dbraw/zinc/09/98/02/517099802.db2.gz NSXCPOAYZVKBBS-IBGZPJMESA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529359437 517100263 /nfs/dbraw/zinc/10/02/63/517100263.db2.gz KWEONWYYVJWSLP-PKOBYXMFSA-N 1 3 356.514 2.577 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000515063892 517197094 /nfs/dbraw/zinc/19/70/94/517197094.db2.gz GMYAQICVERNYTB-GZNCHQMQSA-N 1 3 358.530 2.823 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000529567051 517221245 /nfs/dbraw/zinc/22/12/45/517221245.db2.gz TWYAFMQBCNLHQF-UHFFFAOYSA-N 1 3 368.525 2.982 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541856261 517253558 /nfs/dbraw/zinc/25/35/58/517253558.db2.gz CAKUKOZOTQTRFJ-KRWDZBQOSA-N 1 3 367.497 2.645 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000552433373 517256256 /nfs/dbraw/zinc/25/62/56/517256256.db2.gz GYGGMPFKOHLSJA-UHFFFAOYSA-N 1 3 373.541 2.896 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000520067339 517269301 /nfs/dbraw/zinc/26/93/01/517269301.db2.gz IETUSJSWPCXEGF-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO O=C(CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Nc1ccccn1 ZINC000541881797 517272901 /nfs/dbraw/zinc/27/29/01/517272901.db2.gz ZJBWHSFNSXKHLK-HSALFYBXSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Nc1ccccn1 ZINC000541881797 517272909 /nfs/dbraw/zinc/27/29/09/517272909.db2.gz ZJBWHSFNSXKHLK-HSALFYBXSA-N 1 3 364.493 2.910 20 0 FFADHO O=C(CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Nc1ccccn1 ZINC000541881797 517272916 /nfs/dbraw/zinc/27/29/16/517272916.db2.gz ZJBWHSFNSXKHLK-HSALFYBXSA-N 1 3 364.493 2.910 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520377831 517369093 /nfs/dbraw/zinc/36/90/93/517369093.db2.gz QVLGCLDBWABEKK-QYZOEREBSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520377831 517369102 /nfs/dbraw/zinc/36/91/02/517369102.db2.gz QVLGCLDBWABEKK-QYZOEREBSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1cc(C)c([C@H](C)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)c1 ZINC000520379396 517369482 /nfs/dbraw/zinc/36/94/82/517369482.db2.gz USJAFUSJYYXSHJ-YSIASYRMSA-N 1 3 370.541 2.893 20 0 FFADHO C[N@@H+]1CC[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000559743868 517406324 /nfs/dbraw/zinc/40/63/24/517406324.db2.gz TZYIQLNWDZTBIY-UXHICEINSA-N 1 3 373.522 2.983 20 0 FFADHO C[N@H+]1CC[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000559743868 517406332 /nfs/dbraw/zinc/40/63/32/517406332.db2.gz TZYIQLNWDZTBIY-UXHICEINSA-N 1 3 373.522 2.983 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000515580709 517411317 /nfs/dbraw/zinc/41/13/17/517411317.db2.gz DMYJLFNBYLGSOD-GHTZIAJQSA-N 1 3 371.525 2.846 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000515580709 517411326 /nfs/dbraw/zinc/41/13/26/517411326.db2.gz DMYJLFNBYLGSOD-GHTZIAJQSA-N 1 3 371.525 2.846 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537945392 517413723 /nfs/dbraw/zinc/41/37/23/517413723.db2.gz LKJZRQCLNROFTL-ZFRZLUBXSA-N 1 3 353.869 2.903 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000520771785 517508209 /nfs/dbraw/zinc/50/82/09/517508209.db2.gz ATEMNQZCMUNYMM-LJQANCHMSA-N 1 3 358.530 2.586 20 0 FFADHO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000562958879 517532162 /nfs/dbraw/zinc/53/21/62/517532162.db2.gz ZKPZPRJKVPWDRI-NVEXJGOOSA-N 1 3 357.498 2.525 20 0 FFADHO NC(=O)C1CCN(Cc2cccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000516046031 517546968 /nfs/dbraw/zinc/54/69/68/517546968.db2.gz JOAPWCPVJKNMHQ-PCCBWWKXSA-N 1 3 370.541 2.717 20 0 FFADHO CCC1(CNC(=O)N(C)CCN(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000533609859 517547476 /nfs/dbraw/zinc/54/74/76/517547476.db2.gz FXKHILNWRGTEDF-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000562977568 517552091 /nfs/dbraw/zinc/55/20/91/517552091.db2.gz BMAHCTZVWGQBPA-BVYCBKJFSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000562977568 517552100 /nfs/dbraw/zinc/55/21/00/517552100.db2.gz BMAHCTZVWGQBPA-BVYCBKJFSA-N 1 3 365.521 2.973 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000538426236 517615069 /nfs/dbraw/zinc/61/50/69/517615069.db2.gz FLMPZDMDPWNTND-WIYYLYMNSA-N 1 3 356.558 2.791 20 0 FFADHO CCc1cc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c2ccccc2[nH+]1 ZINC000553307803 517637152 /nfs/dbraw/zinc/63/71/52/517637152.db2.gz JYTHYICKFXEEFR-AYHJJNSGSA-N 1 3 366.509 2.715 20 0 FFADHO Cn1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000530249080 517654275 /nfs/dbraw/zinc/65/42/75/517654275.db2.gz TYSCPFATQRZIRE-HXUWFJFHSA-N 1 3 354.498 2.678 20 0 FFADHO CC1=CCN(CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000546568651 517731692 /nfs/dbraw/zinc/73/16/92/517731692.db2.gz FCBPNPBXRZFQRT-UHFFFAOYSA-N 1 3 356.514 2.602 20 0 FFADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000516578255 517754025 /nfs/dbraw/zinc/75/40/25/517754025.db2.gz AALHQKZXASMKIK-MOPGFXCFSA-N 1 3 353.551 2.506 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000521509663 517760588 /nfs/dbraw/zinc/76/05/88/517760588.db2.gz SNGWCFCJYRLZDQ-SFHVURJKSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000521509663 517760593 /nfs/dbraw/zinc/76/05/93/517760593.db2.gz SNGWCFCJYRLZDQ-SFHVURJKSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccccc1 ZINC000521537313 517767964 /nfs/dbraw/zinc/76/79/64/517767964.db2.gz IULGOWDLHKJRDH-RXVVDRJESA-N 1 3 353.510 2.669 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000521697346 517832001 /nfs/dbraw/zinc/83/20/01/517832001.db2.gz GVLQRMQGEBTYDQ-RBUKOAKNSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000521697346 517832007 /nfs/dbraw/zinc/83/20/07/517832007.db2.gz GVLQRMQGEBTYDQ-RBUKOAKNSA-N 1 3 350.551 2.768 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000539070531 517902160 /nfs/dbraw/zinc/90/21/60/517902160.db2.gz HCCDHYIBNUJQNQ-FQEVSTJZSA-N 1 3 355.457 2.894 20 0 FFADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000550218219 517933235 /nfs/dbraw/zinc/93/32/35/517933235.db2.gz ICFKROSTDVIVHZ-MSOLQXFVSA-N 1 3 353.551 2.504 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000527827006 517937949 /nfs/dbraw/zinc/93/79/49/517937949.db2.gz RGCDLMQHBHZKBX-FAFZWHIHSA-N 1 3 350.551 2.813 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534635895 517974984 /nfs/dbraw/zinc/97/49/84/517974984.db2.gz MHDYQXZKWIMQHD-HSALFYBXSA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534635895 517974991 /nfs/dbraw/zinc/97/49/91/517974991.db2.gz MHDYQXZKWIMQHD-HSALFYBXSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)ccc1OC ZINC000527955620 518009768 /nfs/dbraw/zinc/00/97/68/518009768.db2.gz NGYMNIFUKBEMFH-CVAIRZPRSA-N 1 3 350.503 2.728 20 0 FFADHO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000528015952 518044369 /nfs/dbraw/zinc/04/43/69/518044369.db2.gz ZNZFZFOSQLECCT-KRWDZBQOSA-N 1 3 361.530 2.926 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000554092709 518058288 /nfs/dbraw/zinc/05/82/88/518058288.db2.gz WTNONLNSABXHAN-QCFAMHMHSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1CCCO1 ZINC000543400300 518071072 /nfs/dbraw/zinc/07/10/72/518071072.db2.gz APTYLDYQGFBGSY-UWJYYQICSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@@H]1CCCO1 ZINC000543400300 518071083 /nfs/dbraw/zinc/07/10/83/518071083.db2.gz APTYLDYQGFBGSY-UWJYYQICSA-N 1 3 362.514 2.833 20 0 FFADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc2)CC1 ZINC000543431243 518086792 /nfs/dbraw/zinc/08/67/92/518086792.db2.gz ARFFSSXVZMXPHP-SFHVURJKSA-N 1 3 374.573 2.607 20 0 FFADHO CN1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000560963733 518098760 /nfs/dbraw/zinc/09/87/60/518098760.db2.gz MARFODJNODTSCY-LJQANCHMSA-N 1 3 373.545 2.558 20 0 FFADHO CN1CCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000560963733 518098765 /nfs/dbraw/zinc/09/87/65/518098765.db2.gz MARFODJNODTSCY-LJQANCHMSA-N 1 3 373.545 2.558 20 0 FFADHO C[C@H]1C[C@@H](N2CCOCC2)CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000563751750 518106666 /nfs/dbraw/zinc/10/66/66/518106666.db2.gz MBZZLBZCTSUQQE-PZJWPPBQSA-N 1 3 359.558 2.940 20 0 FFADHO C[C@H]1C[C@@H](N2CCOCC2)CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000563751750 518106672 /nfs/dbraw/zinc/10/66/72/518106672.db2.gz MBZZLBZCTSUQQE-PZJWPPBQSA-N 1 3 359.558 2.940 20 0 FFADHO O=C(CN1CCC[C@@H](Cc2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000517324314 518119381 /nfs/dbraw/zinc/11/93/81/518119381.db2.gz OQPNOUQHTPROLO-IBGZPJMESA-N 1 3 355.526 2.684 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000528151112 518121506 /nfs/dbraw/zinc/12/15/06/518121506.db2.gz XHTMOJNHHIYCMN-NRFANRHFSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535164943 518161191 /nfs/dbraw/zinc/16/11/91/518161191.db2.gz CVLKPDFXPDWZDH-ZIFCJYIRSA-N 1 3 350.551 2.623 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000528287401 518165343 /nfs/dbraw/zinc/16/53/43/518165343.db2.gz QTCNRVHCRRSWHX-NRFANRHFSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000528287401 518165348 /nfs/dbraw/zinc/16/53/48/518165348.db2.gz QTCNRVHCRRSWHX-NRFANRHFSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522828847 518167578 /nfs/dbraw/zinc/16/75/78/518167578.db2.gz SQPOARJOQARYBR-SFHVURJKSA-N 1 3 358.530 2.673 20 0 FFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](CN)c3ccc(F)cc3)C2)nc1 ZINC000569727764 518260205 /nfs/dbraw/zinc/26/02/05/518260205.db2.gz TXPQCPLIOZHJKT-QZTJIDSGSA-N 1 3 370.472 2.922 20 0 FFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](CN)c3ccc(F)cc3)C2)nc1 ZINC000569727764 518260207 /nfs/dbraw/zinc/26/02/07/518260207.db2.gz TXPQCPLIOZHJKT-QZTJIDSGSA-N 1 3 370.472 2.922 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000575779486 518278321 /nfs/dbraw/zinc/27/83/21/518278321.db2.gz IWIAMCQZHGOPLD-MISYRCLQSA-N 1 3 358.530 2.838 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000564074188 518295297 /nfs/dbraw/zinc/29/52/97/518295297.db2.gz ANTIMRGVAJJZHH-QZHFEQFPSA-N 1 3 351.922 2.819 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000567039560 518323648 /nfs/dbraw/zinc/32/36/48/518323648.db2.gz XJYZGIRQPFKWMP-LEWJYISDSA-N 1 3 372.557 2.930 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000567039560 518323654 /nfs/dbraw/zinc/32/36/54/518323654.db2.gz XJYZGIRQPFKWMP-LEWJYISDSA-N 1 3 372.557 2.930 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)C1 ZINC000578738884 518351646 /nfs/dbraw/zinc/35/16/46/518351646.db2.gz JWNVVLRJFNLAAI-QFBILLFUSA-N 1 3 358.461 2.934 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000569912530 518351742 /nfs/dbraw/zinc/35/17/42/518351742.db2.gz GMYCIEWLOFYCJK-AZUAARDMSA-N 1 3 358.530 2.909 20 0 FFADHO CN1CCC(C[NH2+][C@@H](CC2CC2)c2ccccc2)(N2CCOCC2)CC1 ZINC000575969957 518366771 /nfs/dbraw/zinc/36/67/71/518366771.db2.gz GKLLVYHIAGPOOI-NRFANRHFSA-N 1 3 357.542 2.914 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)C1 ZINC000584512298 518375498 /nfs/dbraw/zinc/37/54/98/518375498.db2.gz CTWMWALZNUEOPK-KRWDZBQOSA-N 1 3 352.567 2.870 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)C1 ZINC000584512298 518375505 /nfs/dbraw/zinc/37/55/05/518375505.db2.gz CTWMWALZNUEOPK-KRWDZBQOSA-N 1 3 352.567 2.870 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c2ccccc2)CC1 ZINC000567147830 518376239 /nfs/dbraw/zinc/37/62/39/518376239.db2.gz FZLYAFWBWNSYPW-MISYRCLQSA-N 1 3 358.530 2.757 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2cccc3ccccc32)CCCO1 ZINC000564320214 518397552 /nfs/dbraw/zinc/39/75/52/518397552.db2.gz YLLJEZKWHKBXGM-ICSRJNTNSA-N 1 3 372.509 2.670 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2cccc3ccccc32)CCCO1 ZINC000564320214 518397562 /nfs/dbraw/zinc/39/75/62/518397562.db2.gz YLLJEZKWHKBXGM-ICSRJNTNSA-N 1 3 372.509 2.670 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000578850295 518402634 /nfs/dbraw/zinc/40/26/34/518402634.db2.gz JAWOWMKOBICQIM-VQTJNVASSA-N 1 3 358.530 2.841 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3[NH2+]CCCC3(C)C)c2)CC1 ZINC000570026759 518406214 /nfs/dbraw/zinc/40/62/14/518406214.db2.gz AOAGVXVDZBRYAH-IBGZPJMESA-N 1 3 373.545 2.728 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)cc1F ZINC000576086108 518422185 /nfs/dbraw/zinc/42/21/85/518422185.db2.gz ZZEQWJCKBQTUNQ-UHFFFAOYSA-N 1 3 360.433 2.626 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000581724665 518426041 /nfs/dbraw/zinc/42/60/41/518426041.db2.gz QECLUZDBECIVJU-UHFFFAOYSA-N 1 3 366.509 2.652 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2ccccc2F)CC1 ZINC000567280768 518443551 /nfs/dbraw/zinc/44/35/51/518443551.db2.gz SKASFDZJVPZNPZ-UHFFFAOYSA-N 1 3 363.521 2.928 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000576159656 518457122 /nfs/dbraw/zinc/45/71/22/518457122.db2.gz ZCKBHRLNQQUJPG-NHCUHLMSSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000573082317 518499510 /nfs/dbraw/zinc/49/95/10/518499510.db2.gz MMBBLCJUNQSLPJ-SZFLOTBDSA-N 1 3 352.478 2.824 20 0 FFADHO CN(C)CCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573090123 518503593 /nfs/dbraw/zinc/50/35/93/518503593.db2.gz RMQWHTZVHLWFNK-QFIPXVFZSA-N 1 3 370.585 2.799 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000573111101 518512610 /nfs/dbraw/zinc/51/26/10/518512610.db2.gz SVGLPRBGKKLRPK-USXIJHARSA-N 1 3 350.532 2.529 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccccc1O2 ZINC000584875328 518519466 /nfs/dbraw/zinc/51/94/66/518519466.db2.gz UUYBXYTVRSZWRC-PMACEKPBSA-N 1 3 374.525 2.742 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)c(F)c1 ZINC000581990460 518534862 /nfs/dbraw/zinc/53/48/62/518534862.db2.gz ZSQVCQQIKKAQQT-UHFFFAOYSA-N 1 3 360.433 2.626 20 0 FFADHO CN(CCC(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccncc1 ZINC000581990460 518534865 /nfs/dbraw/zinc/53/48/65/518534865.db2.gz ZSQVCQQIKKAQQT-UHFFFAOYSA-N 1 3 360.433 2.626 20 0 FFADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000570305736 518541810 /nfs/dbraw/zinc/54/18/10/518541810.db2.gz BMPAQIWQYIIECM-HXUWFJFHSA-N 1 3 350.466 2.728 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)COCC(C)C)C2)s1 ZINC000573287733 518592458 /nfs/dbraw/zinc/59/24/58/518592458.db2.gz ZOAAQSIGBNZZTP-QZTJIDSGSA-N 1 3 354.560 2.844 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)COCC(C)C)C2)s1 ZINC000573287733 518592459 /nfs/dbraw/zinc/59/24/59/518592459.db2.gz ZOAAQSIGBNZZTP-QZTJIDSGSA-N 1 3 354.560 2.844 20 0 FFADHO CN(C)CCn1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)n1 ZINC000576475893 518611108 /nfs/dbraw/zinc/61/11/08/518611108.db2.gz AHPAEHKPVLHSOO-UHFFFAOYSA-N 1 3 369.513 2.725 20 0 FFADHO N[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000579374411 518651819 /nfs/dbraw/zinc/65/18/19/518651819.db2.gz REPFZAKDLHRLHT-IRXDYDNUSA-N 1 3 350.938 2.712 20 0 FFADHO [NH3+][C@H]1CCC[C@H](NCCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000579374411 518651825 /nfs/dbraw/zinc/65/18/25/518651825.db2.gz REPFZAKDLHRLHT-IRXDYDNUSA-N 1 3 350.938 2.712 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000586867178 518668582 /nfs/dbraw/zinc/66/85/82/518668582.db2.gz TZYBTSCLSDISHS-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCCN(Cc2ccccc2C)CC1)C1CC1 ZINC000587188323 518677854 /nfs/dbraw/zinc/67/78/54/518677854.db2.gz XAUHVQXEIVKFFO-UHFFFAOYSA-N 1 3 358.530 2.697 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCCN(Cc2ccccc2C)CC1)C1CC1 ZINC000587188323 518677858 /nfs/dbraw/zinc/67/78/58/518677858.db2.gz XAUHVQXEIVKFFO-UHFFFAOYSA-N 1 3 358.530 2.697 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)c(C)c2)CC1 ZINC000582288769 518680617 /nfs/dbraw/zinc/68/06/17/518680617.db2.gz WDSWHELFKNMDDJ-SFHVURJKSA-N 1 3 373.545 2.730 20 0 FFADHO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000573551693 518720589 /nfs/dbraw/zinc/72/05/89/518720589.db2.gz KURLYNHFTJUVFC-OALUTQOASA-N 1 3 374.573 2.558 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000576769804 518755552 /nfs/dbraw/zinc/75/55/52/518755552.db2.gz DMQOBMIBZOXIQA-UHFFFAOYSA-N 1 3 364.509 2.631 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570740102 518756041 /nfs/dbraw/zinc/75/60/41/518756041.db2.gz YUZVUXLYZYALEY-ZIAGYGMSSA-N 1 3 354.292 2.946 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000570740102 518756050 /nfs/dbraw/zinc/75/60/50/518756050.db2.gz YUZVUXLYZYALEY-ZIAGYGMSSA-N 1 3 354.292 2.946 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000576837378 518788254 /nfs/dbraw/zinc/78/82/54/518788254.db2.gz JGJDMMINXFPSNE-HRCADAONSA-N 1 3 355.320 2.768 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@H](N)C2)cc1Br ZINC000576837378 518788259 /nfs/dbraw/zinc/78/82/59/518788259.db2.gz JGJDMMINXFPSNE-HRCADAONSA-N 1 3 355.320 2.768 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000570925850 518845305 /nfs/dbraw/zinc/84/53/05/518845305.db2.gz MOTADKDIZHKXRR-ZCNNSNEGSA-N 1 3 361.530 2.720 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000577036219 518884010 /nfs/dbraw/zinc/88/40/10/518884010.db2.gz DNVDTRIOCHZOQJ-QGZVFWFLSA-N 1 3 360.546 2.505 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000577036219 518884018 /nfs/dbraw/zinc/88/40/18/518884018.db2.gz DNVDTRIOCHZOQJ-QGZVFWFLSA-N 1 3 360.546 2.505 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)N1CCc3[nH]c4ccccc4c3C1)CC[NH2+]CC2 ZINC000565298755 518886174 /nfs/dbraw/zinc/88/61/74/518886174.db2.gz QTMITQHCMJAYLU-INIZCTEOSA-N 1 3 366.509 2.517 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000568153722 518898421 /nfs/dbraw/zinc/89/84/21/518898421.db2.gz UDWARMSVZZAILR-UHFFFAOYSA-N 1 3 351.494 2.891 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000571077952 518916774 /nfs/dbraw/zinc/91/67/74/518916774.db2.gz AESKNSWLKXFAIF-QFIPXVFZSA-N 1 3 363.505 2.963 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000568196720 518920376 /nfs/dbraw/zinc/92/03/76/518920376.db2.gz KVXGIGGBYZYBDJ-LJQANCHMSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H](O)[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000579946948 518933930 /nfs/dbraw/zinc/93/39/30/518933930.db2.gz ISOORTVRBFDJDY-HZPDHXFCSA-N 1 3 373.463 2.967 20 0 FFADHO C[C@@H](O)[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000579946949 518934087 /nfs/dbraw/zinc/93/40/87/518934087.db2.gz ISOORTVRBFDJDY-JKSUJKDBSA-N 1 3 373.463 2.967 20 0 FFADHO COCCC[NH+]1CCC(NCCC(=O)Nc2cccc(F)c2C)CC1 ZINC000565594519 519034677 /nfs/dbraw/zinc/03/46/77/519034677.db2.gz WXHXCUZWKWHTNL-UHFFFAOYSA-N 1 3 351.466 2.553 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000577364410 519044592 /nfs/dbraw/zinc/04/45/92/519044592.db2.gz VQUUXRCZASFQHJ-AWEZNQCLSA-N 1 3 366.893 2.687 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000580244859 519077675 /nfs/dbraw/zinc/07/76/75/519077675.db2.gz BAWJPEVMFCVYMS-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000565723960 519100313 /nfs/dbraw/zinc/10/03/13/519100313.db2.gz AZRPPIJPMTUXMN-LJQANCHMSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000565723960 519100319 /nfs/dbraw/zinc/10/03/19/519100319.db2.gz AZRPPIJPMTUXMN-LJQANCHMSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000580289931 519100913 /nfs/dbraw/zinc/10/09/13/519100913.db2.gz MOPJGWFLCORQSJ-GOSISDBHSA-N 1 3 360.502 2.561 20 0 FFADHO C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000580289931 519100920 /nfs/dbraw/zinc/10/09/20/519100920.db2.gz MOPJGWFLCORQSJ-GOSISDBHSA-N 1 3 360.502 2.561 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000580297013 519105541 /nfs/dbraw/zinc/10/55/41/519105541.db2.gz ZBDOLOPZIPUWIM-IBGZPJMESA-N 1 3 364.534 2.716 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)Cc2ccccc2C(F)(F)F)CCCO1 ZINC000565770341 519124387 /nfs/dbraw/zinc/12/43/87/519124387.db2.gz PNTQZCUQMVDYAU-NVXWUHKLSA-N 1 3 374.447 2.699 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)Cc2ccccc2C(F)(F)F)CCCO1 ZINC000565770341 519124389 /nfs/dbraw/zinc/12/43/89/519124389.db2.gz PNTQZCUQMVDYAU-NVXWUHKLSA-N 1 3 374.447 2.699 20 0 FFADHO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000568607203 519126700 /nfs/dbraw/zinc/12/67/00/519126700.db2.gz WHZRWFCKPLJMFS-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000568607203 519126705 /nfs/dbraw/zinc/12/67/05/519126705.db2.gz WHZRWFCKPLJMFS-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCN1Cc1ccccc1 ZINC000583252647 519153804 /nfs/dbraw/zinc/15/38/04/519153804.db2.gz MJRSUOSOWZWUFB-UZKOGDIHSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000571623046 519186606 /nfs/dbraw/zinc/18/66/06/519186606.db2.gz FAEINYXNEXTJIR-APWZRJJASA-N 1 3 360.502 2.671 20 0 FFADHO C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000571745824 519252369 /nfs/dbraw/zinc/25/23/69/519252369.db2.gz KTKFKGCSLKPNSS-RCOXNQKVSA-N 1 3 366.509 2.733 20 0 FFADHO CCCC[C@@H](COC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000574701379 519288105 /nfs/dbraw/zinc/28/81/05/519288105.db2.gz ATTNINPGMUBHAI-SFHVURJKSA-N 1 3 353.551 2.504 20 0 FFADHO COCCC[NH+]1CCC(NCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000566110827 519307160 /nfs/dbraw/zinc/30/71/60/519307160.db2.gz RGCLHORPMANQDT-UHFFFAOYSA-N 1 3 353.894 2.759 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000574744711 519310566 /nfs/dbraw/zinc/31/05/66/519310566.db2.gz QVFAFPXQXFVILN-LEWJYISDSA-N 1 3 373.541 2.791 20 0 FFADHO [NH3+][C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000566148345 519333451 /nfs/dbraw/zinc/33/34/51/519333451.db2.gz CHXNHFFYZMBUER-FQEVSTJZSA-N 1 3 351.494 2.727 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000569093649 519374324 /nfs/dbraw/zinc/37/43/24/519374324.db2.gz JCVOAOPOZILUCO-NRFANRHFSA-N 1 3 370.541 2.970 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cc3ccsc3)CC2)CC1 ZINC000572012829 519397864 /nfs/dbraw/zinc/39/78/64/519397864.db2.gz WVIUNTQKHFZBFA-INIZCTEOSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000572013163 519398220 /nfs/dbraw/zinc/39/82/20/519398220.db2.gz LWPRYTATDOWJIZ-BQFCYCMXSA-N 1 3 364.559 2.871 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000572173361 519480557 /nfs/dbraw/zinc/48/05/57/519480557.db2.gz ZARHGTDEXHWYLU-MRXNPFEDSA-N 1 3 352.482 2.538 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)C[C@H](C)O1 ZINC000578240391 519493617 /nfs/dbraw/zinc/49/36/17/519493617.db2.gz QJEMPQJIBRGROG-SCTDSRPQSA-N 1 3 365.562 2.503 20 0 FFADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000591054633 519493689 /nfs/dbraw/zinc/49/36/89/519493689.db2.gz LLTNTYMZFXCBAL-ICSRJNTNSA-N 1 3 361.505 2.980 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000569334060 519498601 /nfs/dbraw/zinc/49/86/01/519498601.db2.gz VYMXVUXBUGXLBR-FUHWJXTLSA-N 1 3 362.543 2.740 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000591099606 519512604 /nfs/dbraw/zinc/51/26/04/519512604.db2.gz VAMQSFBRWCVUDC-QZTJIDSGSA-N 1 3 371.525 2.906 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000591099606 519512613 /nfs/dbraw/zinc/51/26/13/519512613.db2.gz VAMQSFBRWCVUDC-QZTJIDSGSA-N 1 3 371.525 2.906 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@@H](C)C1 ZINC000566500045 519522766 /nfs/dbraw/zinc/52/27/66/519522766.db2.gz DARUHHNNXLOWPA-SNRMKQJTSA-N 1 3 350.478 2.856 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3cc(F)ccc3C2)[C@@H](C)C1 ZINC000566500045 519522773 /nfs/dbraw/zinc/52/27/73/519522773.db2.gz DARUHHNNXLOWPA-SNRMKQJTSA-N 1 3 350.478 2.856 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000581136219 519540509 /nfs/dbraw/zinc/54/05/09/519540509.db2.gz ULFKMEWJHZAJKH-FQEVSTJZSA-N 1 3 360.546 2.913 20 0 FFADHO CC(C)NCCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572392154 519591421 /nfs/dbraw/zinc/59/14/21/519591421.db2.gz SZUSSNGUVXYCIU-IRXDYDNUSA-N 1 3 357.498 2.962 20 0 FFADHO CC(C)[NH2+]CCCN[C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572392154 519591427 /nfs/dbraw/zinc/59/14/27/519591427.db2.gz SZUSSNGUVXYCIU-IRXDYDNUSA-N 1 3 357.498 2.962 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000608647480 520062524 /nfs/dbraw/zinc/06/25/24/520062524.db2.gz ACOMFFLMSQXCTA-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000608647480 520062529 /nfs/dbraw/zinc/06/25/29/520062529.db2.gz ACOMFFLMSQXCTA-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000608685714 520081036 /nfs/dbraw/zinc/08/10/36/520081036.db2.gz WUNGGKSIWIQZEO-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608685714 520081039 /nfs/dbraw/zinc/08/10/39/520081039.db2.gz WUNGGKSIWIQZEO-YZGWKJHDSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000592513322 520431354 /nfs/dbraw/zinc/43/13/54/520431354.db2.gz DWLDPIDZNDNGRE-NRFANRHFSA-N 1 3 370.541 2.840 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000604116943 520455547 /nfs/dbraw/zinc/45/55/47/520455547.db2.gz LYIBRJDMKQJHSY-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO Cc1ccc(CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000617504042 520538040 /nfs/dbraw/zinc/53/80/40/520538040.db2.gz GDBMNYOEDWHEEZ-INIZCTEOSA-N 1 3 353.938 2.969 20 0 FFADHO Cc1ccc(CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000617504042 520538048 /nfs/dbraw/zinc/53/80/48/520538048.db2.gz GDBMNYOEDWHEEZ-INIZCTEOSA-N 1 3 353.938 2.969 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1nccc2ccccc21 ZINC000617506198 520541922 /nfs/dbraw/zinc/54/19/22/520541922.db2.gz FJWNDBCDSNMBCT-INIZCTEOSA-N 1 3 374.554 2.715 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1nccc2ccccc21 ZINC000617506198 520541928 /nfs/dbraw/zinc/54/19/28/520541928.db2.gz FJWNDBCDSNMBCT-INIZCTEOSA-N 1 3 374.554 2.715 20 0 FFADHO Cc1cc(Br)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504954 520543349 /nfs/dbraw/zinc/54/33/49/520543349.db2.gz QQJRUVAFBXEVCV-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1cc(Br)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504954 520543352 /nfs/dbraw/zinc/54/33/52/520543352.db2.gz QQJRUVAFBXEVCV-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cnc2ccccc2c1 ZINC000617506885 520545461 /nfs/dbraw/zinc/54/54/61/520545461.db2.gz BKFYRZHUIQMVRZ-KRWDZBQOSA-N 1 3 356.514 2.556 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cnc2ccccc2c1 ZINC000617506885 520545470 /nfs/dbraw/zinc/54/54/70/520545470.db2.gz BKFYRZHUIQMVRZ-KRWDZBQOSA-N 1 3 356.514 2.556 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000601236837 520702023 /nfs/dbraw/zinc/70/20/23/520702023.db2.gz LADLJWUOIGUDAB-OAQYLSRUSA-N 1 3 372.557 2.866 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000601270730 520716166 /nfs/dbraw/zinc/71/61/66/520716166.db2.gz CJGRPQHJWPLLNN-SXLOBPIMSA-N 1 3 358.530 2.994 20 0 FFADHO CCN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCN(CC)C1 ZINC000617924441 520782988 /nfs/dbraw/zinc/78/29/88/520782988.db2.gz VDFBLBFMKONGQV-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO CCN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCN(CC)C1 ZINC000617924441 520782993 /nfs/dbraw/zinc/78/29/93/520782993.db2.gz VDFBLBFMKONGQV-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO CCOC(=O)[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000610930236 520908764 /nfs/dbraw/zinc/90/87/64/520908764.db2.gz VCZNXFYJVKRXEF-IBGZPJMESA-N 1 3 360.498 2.936 20 0 FFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614343702 520917425 /nfs/dbraw/zinc/91/74/25/520917425.db2.gz YDTUYYDBPPUYLR-SFTDATJTSA-N 1 3 357.542 2.884 20 0 FFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614343702 520917430 /nfs/dbraw/zinc/91/74/30/520917430.db2.gz YDTUYYDBPPUYLR-SFTDATJTSA-N 1 3 357.542 2.884 20 0 FFADHO CSCc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000596722737 521243741 /nfs/dbraw/zinc/24/37/41/521243741.db2.gz LNNIUISPFKXZKS-HNNXBMFYSA-N 1 3 352.548 2.943 20 0 FFADHO CSCc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000596722737 521243747 /nfs/dbraw/zinc/24/37/47/521243747.db2.gz LNNIUISPFKXZKS-HNNXBMFYSA-N 1 3 352.548 2.943 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000607240872 521302678 /nfs/dbraw/zinc/30/26/78/521302678.db2.gz QPGGGMCJRQTDBB-UHFFFAOYSA-N 1 3 368.953 2.752 20 0 FFADHO CN(C)Cc1cccc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000607385823 521350720 /nfs/dbraw/zinc/35/07/20/521350720.db2.gz OYPZVYUKSWNQCC-UHFFFAOYSA-N 1 3 369.509 2.661 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)C2)C1 ZINC000615356119 521382097 /nfs/dbraw/zinc/38/20/97/521382097.db2.gz LNXZOBMPBZPPPJ-GGAORHGYSA-N 1 3 369.553 2.885 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)C2)C1 ZINC000615356119 521382105 /nfs/dbraw/zinc/38/21/05/521382105.db2.gz LNXZOBMPBZPPPJ-GGAORHGYSA-N 1 3 369.553 2.885 20 0 FFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000615619213 521477448 /nfs/dbraw/zinc/47/74/48/521477448.db2.gz LRSDMNZRNCHSSL-DENIHFKCSA-N 1 3 373.516 2.982 20 0 FFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000615619213 521477460 /nfs/dbraw/zinc/47/74/60/521477460.db2.gz LRSDMNZRNCHSSL-DENIHFKCSA-N 1 3 373.516 2.982 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000615620412 521479041 /nfs/dbraw/zinc/47/90/41/521479041.db2.gz QGYWKTHRHBEGCK-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000615620412 521479049 /nfs/dbraw/zinc/47/90/49/521479049.db2.gz QGYWKTHRHBEGCK-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000615773585 521526634 /nfs/dbraw/zinc/52/66/34/521526634.db2.gz BYDGDNMRLZMDEQ-GOSISDBHSA-N 1 3 352.567 2.872 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@H](N3CCCCC3)C2)([NH+](C)C)C1 ZINC000594292903 521542737 /nfs/dbraw/zinc/54/27/37/521542737.db2.gz HESWNZSZLSCQKM-WSTZPKSXSA-N 1 3 350.551 2.767 20 0 FFADHO Cn1nc(CNCC2([NH+]3CCCCC3)CCN(C)CC2)c2ccccc21 ZINC000608064980 521601337 /nfs/dbraw/zinc/60/13/37/521601337.db2.gz UIWOSDQKVARZAN-UHFFFAOYSA-N 1 3 355.530 2.613 20 0 FFADHO CN1CCO[C@H]([C@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000635006897 521863414 /nfs/dbraw/zinc/86/34/14/521863414.db2.gz UKSWZRLHNUIEFB-UDTPNQRGSA-N 1 3 351.922 2.819 20 0 FFADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000635011352 521868271 /nfs/dbraw/zinc/86/82/71/521868271.db2.gz DWMLDHHLQOGHBN-UTRMSSBJSA-N 1 3 350.528 2.704 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000619892322 521926173 /nfs/dbraw/zinc/92/61/73/521926173.db2.gz FGTKHHWKNPYMQA-UHFFFAOYSA-N 1 3 367.493 2.887 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000619904951 521938678 /nfs/dbraw/zinc/93/86/78/521938678.db2.gz RUOWLXJIGKUXMT-QZTJIDSGSA-N 1 3 365.468 2.744 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000619904951 521938683 /nfs/dbraw/zinc/93/86/83/521938683.db2.gz RUOWLXJIGKUXMT-QZTJIDSGSA-N 1 3 365.468 2.744 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623465817 522043335 /nfs/dbraw/zinc/04/33/35/522043335.db2.gz FYXJPRIDXQVOKG-HKUYNNGSSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623465817 522043340 /nfs/dbraw/zinc/04/33/40/522043340.db2.gz FYXJPRIDXQVOKG-HKUYNNGSSA-N 1 3 350.551 2.957 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623476565 522054459 /nfs/dbraw/zinc/05/44/59/522054459.db2.gz FWDPZMJCHRYLCN-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623476565 522054467 /nfs/dbraw/zinc/05/44/67/522054467.db2.gz FWDPZMJCHRYLCN-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000626286079 522076223 /nfs/dbraw/zinc/07/62/23/522076223.db2.gz OFMUKJIMNHETEU-CIAFKFPVSA-N 1 3 363.505 2.893 20 0 FFADHO CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000626286079 522076234 /nfs/dbraw/zinc/07/62/34/522076234.db2.gz OFMUKJIMNHETEU-CIAFKFPVSA-N 1 3 363.505 2.893 20 0 FFADHO Cc1cc(CN[C@@H](C)CN(C)CCC[NH+](C)C)ncc1Br ZINC000623563094 522123146 /nfs/dbraw/zinc/12/31/46/522123146.db2.gz NLYDDNXIQIKUJB-AWEZNQCLSA-N 1 3 357.340 2.514 20 0 FFADHO CN1CC[C@@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC1(C)C ZINC000623571478 522128400 /nfs/dbraw/zinc/12/84/00/522128400.db2.gz XZSJRXUCENGQEZ-LJQANCHMSA-N 1 3 356.558 2.804 20 0 FFADHO C[N@@H+]1CC[C@@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC1(C)C ZINC000623571478 522128406 /nfs/dbraw/zinc/12/84/06/522128406.db2.gz XZSJRXUCENGQEZ-LJQANCHMSA-N 1 3 356.558 2.804 20 0 FFADHO C[N@H+]1CC[C@@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC1(C)C ZINC000623571478 522128418 /nfs/dbraw/zinc/12/84/18/522128418.db2.gz XZSJRXUCENGQEZ-LJQANCHMSA-N 1 3 356.558 2.804 20 0 FFADHO NC1(C[NH2+]Cc2ccc(Br)c3cccnc23)CCOCC1 ZINC000629387292 522186155 /nfs/dbraw/zinc/18/61/55/522186155.db2.gz DMHBQFPIZFTZFI-UHFFFAOYSA-N 1 3 350.260 2.595 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000623656107 522195736 /nfs/dbraw/zinc/19/57/36/522195736.db2.gz NEUBKZAUQXKTLH-HNNXBMFYSA-N 1 3 356.470 2.669 20 0 FFADHO Brc1ccc(S[C@H]2CCN(CCN3CC[NH2+]CC3)C2)cc1 ZINC000629551881 522305689 /nfs/dbraw/zinc/30/56/89/522305689.db2.gz YEQKAPSJUBIISK-INIZCTEOSA-N 1 3 370.360 2.521 20 0 FFADHO CC(C)(CNC[C@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000629559428 522312497 /nfs/dbraw/zinc/31/24/97/522312497.db2.gz REPPHYLXUSFDJF-INIZCTEOSA-N 1 3 355.320 2.773 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)N2CCCC2)cc1 ZINC000635526646 522335656 /nfs/dbraw/zinc/33/56/56/522335656.db2.gz KVBMOAOHHLPLCX-QRFRQXIXSA-N 1 3 374.529 2.649 20 0 FFADHO CN(CCOCC[NH3+])Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000629661022 522380658 /nfs/dbraw/zinc/38/06/58/522380658.db2.gz APBAXPIHIVCHOV-UHFFFAOYSA-N 1 3 371.197 2.755 20 0 FFADHO CNCC(=O)Nc1ccc(-c2cccc(OCC[NH+]3CCCCC3)c2)cn1 ZINC000629698153 522399011 /nfs/dbraw/zinc/39/90/11/522399011.db2.gz UHDCHGVLJDDFTF-UHFFFAOYSA-N 1 3 368.481 2.771 20 0 FFADHO CC[NH+](CC)CCOc1ccc(-c2ccc(NC(=O)CNC)nc2)cc1 ZINC000629704793 522406122 /nfs/dbraw/zinc/40/61/22/522406122.db2.gz DFKSFRHACVNXQU-UHFFFAOYSA-N 1 3 356.470 2.627 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000632949218 522420061 /nfs/dbraw/zinc/42/00/61/522420061.db2.gz CUEUPFABOADNNO-UHFFFAOYSA-N 1 3 356.474 2.903 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000620768827 522421057 /nfs/dbraw/zinc/42/10/57/522421057.db2.gz ABSRWFLQYRKCJJ-HBMCJLEFSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000620768827 522421066 /nfs/dbraw/zinc/42/10/66/522421066.db2.gz ABSRWFLQYRKCJJ-HBMCJLEFSA-N 1 3 370.541 2.825 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccsc1 ZINC000626933617 522540271 /nfs/dbraw/zinc/54/02/71/522540271.db2.gz MOMNUFCARMAOKF-YTQUADARSA-N 1 3 364.559 2.772 20 0 FFADHO COc1ccc(C[NH+]2CCC(CNC(=O)CN(C)C3CCC3)CC2)cc1 ZINC000629953659 522545040 /nfs/dbraw/zinc/54/50/40/522545040.db2.gz XSXBARDQUSMZIS-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626979739 522569033 /nfs/dbraw/zinc/56/90/33/522569033.db2.gz JGNHTFIQIUTCLB-BULFRSBZSA-N 1 3 370.541 2.853 20 0 FFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000630044932 522605257 /nfs/dbraw/zinc/60/52/57/522605257.db2.gz PCIVUAZUHFQDIA-SFTDATJTSA-N 1 3 361.530 2.532 20 0 FFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000630044932 522605264 /nfs/dbraw/zinc/60/52/64/522605264.db2.gz PCIVUAZUHFQDIA-SFTDATJTSA-N 1 3 361.530 2.532 20 0 FFADHO C[C@@H]1CN(CCC[NH2+]Cc2ccnn2CCc2ccccc2)CCCO1 ZINC000621350770 522792014 /nfs/dbraw/zinc/79/20/14/522792014.db2.gz SWCRWQQCBRXTPO-LJQANCHMSA-N 1 3 356.514 2.716 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000624613218 522821108 /nfs/dbraw/zinc/82/11/08/522821108.db2.gz OJDHDWXQVQBQMQ-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000624613218 522821117 /nfs/dbraw/zinc/82/11/17/522821117.db2.gz OJDHDWXQVQBQMQ-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCN(C2CCC2)C1 ZINC000627499723 522875392 /nfs/dbraw/zinc/87/53/92/522875392.db2.gz YLNYOHBEHGALBI-DZFGPLHGSA-N 1 3 355.526 2.665 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCN(C2CCC2)C1 ZINC000627499723 522875402 /nfs/dbraw/zinc/87/54/02/522875402.db2.gz YLNYOHBEHGALBI-DZFGPLHGSA-N 1 3 355.526 2.665 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000630577880 522945947 /nfs/dbraw/zinc/94/59/47/522945947.db2.gz BEPYAGKGMKUKLR-HIFRSBDPSA-N 1 3 358.408 2.739 20 0 FFADHO CC1(C)CN(C2(CNC(=O)CC[C@@H]3CCC[NH2+]C3)CCCCC2)CCO1 ZINC000621647215 522995510 /nfs/dbraw/zinc/99/55/10/522995510.db2.gz FUYDQIAWPIUJEG-SFHVURJKSA-N 1 3 365.562 2.696 20 0 FFADHO C[C@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000636553658 523063437 /nfs/dbraw/zinc/06/34/37/523063437.db2.gz CNBWDQKHJWQXAL-HZPDHXFCSA-N 1 3 362.522 2.534 20 0 FFADHO C[C@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[N@H+]1CCCC[C@H]1C ZINC000636553658 523063451 /nfs/dbraw/zinc/06/34/51/523063451.db2.gz CNBWDQKHJWQXAL-HZPDHXFCSA-N 1 3 362.522 2.534 20 0 FFADHO CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000622004068 523212365 /nfs/dbraw/zinc/21/23/65/523212365.db2.gz JWGHYJGSESTBLM-KRWDZBQOSA-N 1 3 351.922 2.995 20 0 FFADHO CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000622004068 523212373 /nfs/dbraw/zinc/21/23/73/523212373.db2.gz JWGHYJGSESTBLM-KRWDZBQOSA-N 1 3 351.922 2.995 20 0 FFADHO Cc1nc(-c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)s2)cs1 ZINC000630931481 523251832 /nfs/dbraw/zinc/25/18/32/523251832.db2.gz RKQOIAKGJQUAEA-UHFFFAOYSA-N 1 3 366.556 2.745 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000622090029 523260854 /nfs/dbraw/zinc/26/08/54/523260854.db2.gz KEONTEIYAOTSGX-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)[NH+](CCCNC(=O)Nc1cnn(C2CCN(C)CC2)c1)C(C)C ZINC000636876441 523269464 /nfs/dbraw/zinc/26/94/64/523269464.db2.gz MZVZKVZRMODWBG-UHFFFAOYSA-N 1 3 364.538 2.780 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2c3c(nn2C)CCCC3)cc1 ZINC000631065984 523349080 /nfs/dbraw/zinc/34/90/80/523349080.db2.gz QTZRAVMJZGALSJ-UHFFFAOYSA-N 1 3 356.514 2.572 20 0 FFADHO O=c1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000631144616 523416016 /nfs/dbraw/zinc/41/60/16/523416016.db2.gz OHZHKPHHZFXWCS-FQEVSTJZSA-N 1 3 367.493 2.806 20 0 FFADHO O=c1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000631144616 523416023 /nfs/dbraw/zinc/41/60/23/523416023.db2.gz OHZHKPHHZFXWCS-FQEVSTJZSA-N 1 3 367.493 2.806 20 0 FFADHO O=c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000631144616 523416035 /nfs/dbraw/zinc/41/60/35/523416035.db2.gz OHZHKPHHZFXWCS-FQEVSTJZSA-N 1 3 367.493 2.806 20 0 FFADHO C[C@@]1(C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCCS1 ZINC000628312512 523476925 /nfs/dbraw/zinc/47/69/25/523476925.db2.gz FGWJEUFLZJZUPS-FQEVSTJZSA-N 1 3 361.555 2.759 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000637277949 523529190 /nfs/dbraw/zinc/52/91/90/523529190.db2.gz INPAZSSUSAPABQ-OALUTQOASA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)[C@H](C)C1 ZINC000637371341 523589736 /nfs/dbraw/zinc/58/97/36/523589736.db2.gz DCNGBENPICIAMY-NEWSRXKRSA-N 1 3 350.551 2.765 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)[C@H](C)C1 ZINC000637371341 523589742 /nfs/dbraw/zinc/58/97/42/523589742.db2.gz DCNGBENPICIAMY-NEWSRXKRSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1=CCN(C)CC1 ZINC000634711462 523599084 /nfs/dbraw/zinc/59/90/84/523599084.db2.gz PHTAAQYEMLTFHV-LRDDRELGSA-N 1 3 359.297 2.973 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634734046 523620890 /nfs/dbraw/zinc/62/08/90/523620890.db2.gz VRPVCXZGEZNXGS-CABCVRRESA-N 1 3 363.502 2.789 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899049489 735438113 /nfs/dbraw/zinc/43/81/13/735438113.db2.gz QJWBVLHQBMBPGT-NSHDSACASA-N 1 3 351.882 2.816 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000122042398 728643391 /nfs/dbraw/zinc/64/33/91/728643391.db2.gz YKCZWPTWNOAZCD-FQEVSTJZSA-N 1 3 352.494 2.930 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000122042398 728643392 /nfs/dbraw/zinc/64/33/92/728643392.db2.gz YKCZWPTWNOAZCD-FQEVSTJZSA-N 1 3 352.494 2.930 20 0 FFADHO C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1[O-] ZINC000185344487 729347416 /nfs/dbraw/zinc/34/74/16/729347416.db2.gz COAIRKADYWUOEN-UONOGXRCSA-N 1 3 370.335 2.689 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000924663930 738437448 /nfs/dbraw/zinc/43/74/48/738437448.db2.gz YPIJDVVLOUVEBA-CQSZACIVSA-N 1 3 355.324 2.522 20 0 FFADHO [NH3+]Cc1ccc2c(c1)N(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)CCO2 ZINC000638807833 730045683 /nfs/dbraw/zinc/04/56/83/730045683.db2.gz PQENEQCYCTZDFN-CHWSQXEVSA-N 1 3 358.360 2.618 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000639653527 730092579 /nfs/dbraw/zinc/09/25/79/730092579.db2.gz CXUJHPGPIHULKK-DOTOQJQBSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000639653527 730092580 /nfs/dbraw/zinc/09/25/80/730092580.db2.gz CXUJHPGPIHULKK-DOTOQJQBSA-N 1 3 359.297 2.761 20 0 FFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000641803797 730252927 /nfs/dbraw/zinc/25/29/27/730252927.db2.gz HRBLFAURJAXGGE-OLZOCXBDSA-N 1 3 358.255 2.632 20 0 FFADHO C[NH+](C)CC1(CNC[C@H](O)COCc2ccc(Cl)cc2)CCCC1 ZINC000644622733 730488373 /nfs/dbraw/zinc/48/83/73/730488373.db2.gz LQPDLKQRXUXHAK-SFHVURJKSA-N 1 3 354.922 2.929 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC[C@H]1[NH3+] ZINC000647937056 730775854 /nfs/dbraw/zinc/77/58/54/730775854.db2.gz QFIBFSCYLCNUHP-GXTWGEPZSA-N 1 3 369.893 2.745 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCc1ccc(Cl)cc1 ZINC000647975154 730778883 /nfs/dbraw/zinc/77/88/83/730778883.db2.gz NMZILJOFOZDFAV-ROUUACIJSA-N 1 3 363.933 2.710 20 0 FFADHO COCC[C@@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000865403721 730950597 /nfs/dbraw/zinc/95/05/97/730950597.db2.gz NDFZWVNDGXPKJJ-AWEZNQCLSA-N 1 3 357.539 2.815 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccsc1 ZINC000652127504 731168756 /nfs/dbraw/zinc/16/87/56/731168756.db2.gz VPBBTPOMMVHSMD-LNLFQRSKSA-N 1 3 364.559 2.901 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652270182 731179824 /nfs/dbraw/zinc/17/98/24/731179824.db2.gz YDEXSZQLSTYXNJ-UHFFFAOYSA-N 1 3 364.490 2.619 20 0 FFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925532212 738513132 /nfs/dbraw/zinc/51/31/32/738513132.db2.gz VGVMWGDMYHEITI-HOTGVXAUSA-N 1 3 351.878 2.845 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cc2C1 ZINC000653128160 731241453 /nfs/dbraw/zinc/24/14/53/731241453.db2.gz SCZQNMMCMZMMIE-MRVWCRGKSA-N 1 3 357.376 2.584 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000654575909 731375315 /nfs/dbraw/zinc/37/53/15/731375315.db2.gz SLXHXSJRZUCVCM-LESCRADOSA-N 1 3 364.559 2.651 20 0 FFADHO OC[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)Cc1ccc(F)c(F)c1 ZINC000925659509 738520986 /nfs/dbraw/zinc/52/09/86/738520986.db2.gz VQSIZJYZDLZKKO-XAUMDUMWSA-N 1 3 352.469 2.874 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[NH2+]C1CC1 ZINC000655461680 731459349 /nfs/dbraw/zinc/45/93/49/731459349.db2.gz CSQUSOUYUSQMSO-UHFFFAOYSA-N 1 3 357.420 2.738 20 0 FFADHO Brc1ccsc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925763323 738528496 /nfs/dbraw/zinc/52/84/96/738528496.db2.gz SAKMJVXKSJHWBC-MRVWCRGKSA-N 1 3 359.333 2.800 20 0 FFADHO CC[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000925779093 738529417 /nfs/dbraw/zinc/52/94/17/738529417.db2.gz WDMLGHLOLBKKIS-RBSFLKMASA-N 1 3 361.477 2.999 20 0 FFADHO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000872138289 731733249 /nfs/dbraw/zinc/73/32/49/731733249.db2.gz VDVMTPUCZUFIQP-IFXJQAMLSA-N 1 3 350.503 2.978 20 0 FFADHO O=C1O[C@H](CN[C@H]2CCCOc3c(Cl)cccc32)CC12CC[NH2+]CC2 ZINC000925852546 738537424 /nfs/dbraw/zinc/53/74/24/738537424.db2.gz OVUURNURUHIFHL-BBRMVZONSA-N 1 3 364.873 2.829 20 0 FFADHO Cc1sc(C[NH2+]CCCCN2CCN(C)CC2)cc1Br ZINC000873011622 731863480 /nfs/dbraw/zinc/86/34/80/731863480.db2.gz BABCPIYVAQUOJL-UHFFFAOYSA-N 1 3 360.365 2.936 20 0 FFADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000873234827 731894358 /nfs/dbraw/zinc/89/43/58/731894358.db2.gz IHDATFOVFVIXQF-IKGGRYGDSA-N 1 3 354.441 2.903 20 0 FFADHO CC[NH+](CC)CCCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660244571 732090390 /nfs/dbraw/zinc/09/03/90/732090390.db2.gz QQRGXFPXUZGAOZ-UHFFFAOYSA-N 1 3 350.555 2.805 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000878313640 732513403 /nfs/dbraw/zinc/51/34/03/732513403.db2.gz CIVHVPCYFZLIOL-CQSZACIVSA-N 1 3 368.275 2.664 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000664874198 732642535 /nfs/dbraw/zinc/64/25/35/732642535.db2.gz HGIZJLMQDFEJJH-ULQDDVLXSA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccco1 ZINC000664874198 732642538 /nfs/dbraw/zinc/64/25/38/732642538.db2.gz HGIZJLMQDFEJJH-ULQDDVLXSA-N 1 3 350.507 2.835 20 0 FFADHO C[NH+]1CCC2(CCN(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000879249659 732672532 /nfs/dbraw/zinc/67/25/32/732672532.db2.gz XWVFFRXBWBNBNK-OAHLLOKOSA-N 1 3 361.452 2.595 20 0 FFADHO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665364802 732699684 /nfs/dbraw/zinc/69/96/84/732699684.db2.gz XRLBUUSQSAYOGF-OAHLLOKOSA-N 1 3 352.548 2.694 20 0 FFADHO Cc1ccc(F)c(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665762695 732752941 /nfs/dbraw/zinc/75/29/41/732752941.db2.gz NBTMGGNYIBJQEJ-INIZCTEOSA-N 1 3 352.498 2.548 20 0 FFADHO Cc1ccc(F)c(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665762695 732752944 /nfs/dbraw/zinc/75/29/44/732752944.db2.gz NBTMGGNYIBJQEJ-INIZCTEOSA-N 1 3 352.498 2.548 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC[C@H]1[NH3+] ZINC000669592658 733251435 /nfs/dbraw/zinc/25/14/35/733251435.db2.gz BCTWRGNOIZYMKT-ZTFGCOKTSA-N 1 3 364.559 2.780 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000670128495 733309306 /nfs/dbraw/zinc/30/93/06/733309306.db2.gz VGXNPPPBCMVJNK-ZWKOTPCHSA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000670128495 733309311 /nfs/dbraw/zinc/30/93/11/733309311.db2.gz VGXNPPPBCMVJNK-ZWKOTPCHSA-N 1 3 364.921 2.726 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000672884720 733563795 /nfs/dbraw/zinc/56/37/95/733563795.db2.gz ZKEOJITUZRYCCP-UXLLHSPISA-N 1 3 350.507 2.738 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cncs3)CC2)CC1 ZINC000889512264 734185184 /nfs/dbraw/zinc/18/51/84/734185184.db2.gz JXBSQPXPMWULNX-CQSZACIVSA-N 1 3 350.532 2.517 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)c1ccccc1 ZINC000725718542 734388369 /nfs/dbraw/zinc/38/83/69/734388369.db2.gz WUMQFHCHWXBRJB-KRWDZBQOSA-N 1 3 353.457 2.653 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1ccsc1 ZINC000891347811 734417323 /nfs/dbraw/zinc/41/73/23/734417323.db2.gz IXTCBFHKIBPKFW-YESZJQIVSA-N 1 3 350.532 2.667 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000891542648 734443780 /nfs/dbraw/zinc/44/37/80/734443780.db2.gz MEAOJQZIUXBUMO-BBWFWOEESA-N 1 3 362.543 2.763 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000891542648 734443782 /nfs/dbraw/zinc/44/37/82/734443782.db2.gz MEAOJQZIUXBUMO-BBWFWOEESA-N 1 3 362.543 2.763 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(N)ccn2)[C@@H]1c1cccs1 ZINC000891596882 734450280 /nfs/dbraw/zinc/45/02/80/734450280.db2.gz GDLYXZCEJIACQG-CXAGYDPISA-N 1 3 359.499 2.608 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NCc2cc(N)ccn2)[C@@H]1c1cccs1 ZINC000891596882 734450281 /nfs/dbraw/zinc/45/02/81/734450281.db2.gz GDLYXZCEJIACQG-CXAGYDPISA-N 1 3 359.499 2.608 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000727080356 734464241 /nfs/dbraw/zinc/46/42/41/734464241.db2.gz OTTIDJLWKGUJBR-FUHWJXTLSA-N 1 3 362.587 2.874 20 0 FFADHO Cn1ncc(NC(=O)OC(C)(C)C)c1CNCC1(C)CC[NH+](C)CC1 ZINC000893471145 734705540 /nfs/dbraw/zinc/70/55/40/734705540.db2.gz PJBSXUJBRBEUOY-UHFFFAOYSA-N 1 3 351.495 2.589 20 0 FFADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921549 736189014 /nfs/dbraw/zinc/18/90/14/736189014.db2.gz OZQOLRUCXZEEQT-RFUYNDQBSA-N 1 3 364.921 2.865 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968334 736196470 /nfs/dbraw/zinc/19/64/70/736196470.db2.gz SXUWYKQKPNLCQN-AGIUHOORSA-N 1 3 359.392 2.747 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760158844 736618666 /nfs/dbraw/zinc/61/86/66/736618666.db2.gz NDWLPNKBBBMPBD-NEPJUHHUSA-N 1 3 373.328 2.814 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3F)C2)[C@@H]1C(C)C ZINC000922394703 738136880 /nfs/dbraw/zinc/13/68/80/738136880.db2.gz RNZSOLXAUMODEN-YKCBXCCJSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3F)C2)[C@@H]1C(C)C ZINC000922394703 738136881 /nfs/dbraw/zinc/13/68/81/738136881.db2.gz RNZSOLXAUMODEN-YKCBXCCJSA-N 1 3 350.478 2.794 20 0 FFADHO O[C@H](CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000923362915 738276148 /nfs/dbraw/zinc/27/61/48/738276148.db2.gz QRKXGRWFWLKODB-YQQAZPJKSA-N 1 3 353.304 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC000960007294 740607880 /nfs/dbraw/zinc/60/78/80/740607880.db2.gz CWRDZZYRRDHQQS-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2cccc(Cl)n2)CC[N@H+]1C ZINC000960007294 740607882 /nfs/dbraw/zinc/60/78/82/740607882.db2.gz CWRDZZYRRDHQQS-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000808718751 741255491 /nfs/dbraw/zinc/25/54/91/741255491.db2.gz BBFOOHUSFPUJSE-KBAYOESNSA-N 1 3 367.584 2.881 20 0 FFADHO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810491423 741421120 /nfs/dbraw/zinc/42/11/20/741421120.db2.gz YNXVZJDFSSPAFJ-GOSISDBHSA-N 1 3 355.523 2.851 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3ncc(C)s3)C2)CC[N@@H+]1C ZINC001023994936 742717830 /nfs/dbraw/zinc/71/78/30/742717830.db2.gz JAICCJLBMCILFZ-IXDOHACOSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3ncc(C)s3)C2)CC[N@H+]1C ZINC001023994936 742717835 /nfs/dbraw/zinc/71/78/35/742717835.db2.gz JAICCJLBMCILFZ-IXDOHACOSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(C3CCCC3)CC2)cc(Cl)n1 ZINC000826739167 743433172 /nfs/dbraw/zinc/43/31/72/743433172.db2.gz IOCNFDXYERZRFI-INIZCTEOSA-N 1 3 350.894 2.520 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827127888 743513551 /nfs/dbraw/zinc/51/35/51/743513551.db2.gz XELJZKMHMXRVCE-VBQJREDUSA-N 1 3 366.937 2.918 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827127888 743513557 /nfs/dbraw/zinc/51/35/57/743513557.db2.gz XELJZKMHMXRVCE-VBQJREDUSA-N 1 3 366.937 2.918 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000828038160 745019980 /nfs/dbraw/zinc/01/99/80/745019980.db2.gz ZBFQPDSUWWWSRZ-MRXNPFEDSA-N 1 3 352.910 2.672 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000830541624 745377589 /nfs/dbraw/zinc/37/75/89/745377589.db2.gz PYLGHLGYLDFDNB-MRXNPFEDSA-N 1 3 352.910 2.672 20 0 FFADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364046 747818813 /nfs/dbraw/zinc/81/88/13/747818813.db2.gz MRDAQIPUBNJHFX-CYBMUJFWSA-N 1 3 353.413 2.691 20 0 FFADHO CCN1C[C@@H](C[N@H+](C)C[C@H]2CCN(Cc3ccc(C)s3)C2)OC1=O ZINC000846895523 748569331 /nfs/dbraw/zinc/56/93/31/748569331.db2.gz OUNAVYOIZPRMJJ-HZPDHXFCSA-N 1 3 351.516 2.651 20 0 FFADHO CCN1C[C@@H](C[N@@H+](C)C[C@H]2CCN(Cc3ccc(C)s3)C2)OC1=O ZINC000846895523 748569334 /nfs/dbraw/zinc/56/93/34/748569334.db2.gz OUNAVYOIZPRMJJ-HZPDHXFCSA-N 1 3 351.516 2.651 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(Cl)c1Cl ZINC000849064540 749044170 /nfs/dbraw/zinc/04/41/70/749044170.db2.gz JMSZUKWVXAJUPE-GFCCVEGCSA-N 1 3 359.301 2.970 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1Br ZINC000849097297 749050352 /nfs/dbraw/zinc/05/03/52/749050352.db2.gz NJGSIOOAIVVGBK-IVMMDQJWSA-N 1 3 365.319 2.903 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccc(Br)c1 ZINC000849101635 749051281 /nfs/dbraw/zinc/05/12/81/749051281.db2.gz WMTWEXKRNCMPNB-MRXNPFEDSA-N 1 3 367.335 2.980 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCOC)C1 ZINC001104802229 970864637 /nfs/dbraw/zinc/86/46/37/970864637.db2.gz CGILIMHLNXJXIW-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2cccc(OC)c2C)CC[N@@H+]1C ZINC001275834950 1013055558 /nfs/dbraw/zinc/05/55/58/1013055558.db2.gz JCRAGBWDOPTHSX-ZYSHUDEJSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2cccc(OC)c2C)CC[N@H+]1C ZINC001275834950 1013055570 /nfs/dbraw/zinc/05/55/70/1013055570.db2.gz JCRAGBWDOPTHSX-ZYSHUDEJSA-N 1 3 361.530 2.670 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2oc(C)nc2C)C1 ZINC001104932695 971176575 /nfs/dbraw/zinc/17/65/75/971176575.db2.gz HWJUWVGJIASNPS-CRAIPNDOSA-N 1 3 364.534 2.598 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2oc(C)nc2C)C1 ZINC001104932695 971176580 /nfs/dbraw/zinc/17/65/80/971176580.db2.gz HWJUWVGJIASNPS-CRAIPNDOSA-N 1 3 364.534 2.598 20 0 FFADHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824578484 946826367 /nfs/dbraw/zinc/82/63/67/946826367.db2.gz UFXBXGVMADVTDQ-HNNXBMFYSA-N 1 3 363.469 2.829 20 0 FFADHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824578484 946826379 /nfs/dbraw/zinc/82/63/79/946826379.db2.gz UFXBXGVMADVTDQ-HNNXBMFYSA-N 1 3 363.469 2.829 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966727 971373955 /nfs/dbraw/zinc/37/39/55/971373955.db2.gz RSVWGZWNHRRYIL-FGTMMUONSA-N 1 3 353.526 2.779 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992226 971735095 /nfs/dbraw/zinc/73/50/95/971735095.db2.gz JPARYDIQWCLRQD-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992226 971735099 /nfs/dbraw/zinc/73/50/99/971735099.db2.gz JPARYDIQWCLRQD-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCc4cccs4)CC[C@@H]3C2)CCC1 ZINC001087992953 971737115 /nfs/dbraw/zinc/73/71/15/971737115.db2.gz SZWIVLBPHNBKSP-SJORKVTESA-N 1 3 361.555 2.555 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCc4cccs4)CC[C@@H]3C2)CCC1 ZINC001087992953 971737119 /nfs/dbraw/zinc/73/71/19/971737119.db2.gz SZWIVLBPHNBKSP-SJORKVTESA-N 1 3 361.555 2.555 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002382 971790105 /nfs/dbraw/zinc/79/01/05/971790105.db2.gz CIJSBMOZELMUTG-HKBOAZHASA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002382 971790108 /nfs/dbraw/zinc/79/01/08/971790108.db2.gz CIJSBMOZELMUTG-HKBOAZHASA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cc1C ZINC000974603987 972037452 /nfs/dbraw/zinc/03/74/52/972037452.db2.gz CRLJPFMSRJBHIF-MISYRCLQSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cc1C ZINC000974603987 972037458 /nfs/dbraw/zinc/03/74/58/972037458.db2.gz CRLJPFMSRJBHIF-MISYRCLQSA-N 1 3 357.542 2.970 20 0 FFADHO CCCN(C(=O)c1ccc(OCC[NH+](CC)CC)cc1)[C@@H]1CCN(C)C1 ZINC000649001272 1013169644 /nfs/dbraw/zinc/16/96/44/1013169644.db2.gz KYGXWKRGRRTQTD-LJQANCHMSA-N 1 3 361.530 2.964 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000654734503 958867936 /nfs/dbraw/zinc/86/79/36/958867936.db2.gz HVLSIQCMSSNWFT-CEXWTWQISA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000654734503 958867958 /nfs/dbraw/zinc/86/79/58/958867958.db2.gz HVLSIQCMSSNWFT-CEXWTWQISA-N 1 3 362.493 2.745 20 0 FFADHO CC(=O)N1CCC(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208679636 959564774 /nfs/dbraw/zinc/56/47/74/959564774.db2.gz WHPMQIWHKPIFPO-FCHUYYIVSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208679636 959564785 /nfs/dbraw/zinc/56/47/85/959564785.db2.gz WHPMQIWHKPIFPO-FCHUYYIVSA-N 1 3 355.526 2.699 20 0 FFADHO OC1(C[NH2+]Cc2ccc3c(c2)OCO3)CCN(Cc2ccccc2)CC1 ZINC000397492295 960713005 /nfs/dbraw/zinc/71/30/05/960713005.db2.gz LHXJKHMYKAAPSN-UHFFFAOYSA-N 1 3 354.450 2.532 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000872286365 1013200618 /nfs/dbraw/zinc/20/06/18/1013200618.db2.gz FDQYTWLWZFSHHO-MOPGFXCFSA-N 1 3 358.530 2.983 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655711919 961135976 /nfs/dbraw/zinc/13/59/76/961135976.db2.gz KHVCDTKKVOCXTC-GOSISDBHSA-N 1 3 355.530 2.605 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001104291345 962337730 /nfs/dbraw/zinc/33/77/30/962337730.db2.gz MXZPLTMINFIXQP-ZTNFWEORSA-N 1 3 361.505 2.740 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c(C)c1 ZINC001095424288 1013334458 /nfs/dbraw/zinc/33/44/58/1013334458.db2.gz LJNWSXZQGXJNKA-MLNNCEHLSA-N 1 3 367.537 2.867 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001087135095 963084783 /nfs/dbraw/zinc/08/47/83/963084783.db2.gz QPEUUVBSRYCPPI-LSTHTHJFSA-N 1 3 361.505 2.967 20 0 FFADHO Cc1csc(CNCC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001104322443 963286970 /nfs/dbraw/zinc/28/69/70/963286970.db2.gz KGGAPZYKVRHTMN-KYJSFNMBSA-N 1 3 366.575 2.612 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC(C)C)C1 ZINC001104362874 964093788 /nfs/dbraw/zinc/09/37/88/964093788.db2.gz NRNFYTBOETZGJJ-QZTJIDSGSA-N 1 3 355.567 2.606 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@H](C)[NH+](C)C)c(C)c2)CC1 ZINC000664330819 964136211 /nfs/dbraw/zinc/13/62/11/964136211.db2.gz MUUSZYUKEDJBHV-KRWDZBQOSA-N 1 3 361.534 2.599 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(C(F)F)cc3)C2)CC[N@@H+]1C ZINC000971562527 964173241 /nfs/dbraw/zinc/17/32/41/964173241.db2.gz GPYPIJIWWWAUCN-ZTFGCOKTSA-N 1 3 365.468 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(C(F)F)cc3)C2)CC[N@H+]1C ZINC000971562527 964173247 /nfs/dbraw/zinc/17/32/47/964173247.db2.gz GPYPIJIWWWAUCN-ZTFGCOKTSA-N 1 3 365.468 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](N[C@H]3CCc4c3c(F)ccc4F)C2)CC[N@@H+]1C ZINC001022105302 964303987 /nfs/dbraw/zinc/30/39/87/964303987.db2.gz YVBAKQSGQMCAMV-VKNNWULWSA-N 1 3 363.452 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](N[C@H]3CCc4c3c(F)ccc4F)C2)CC[N@H+]1C ZINC001022105302 964303992 /nfs/dbraw/zinc/30/39/92/964303992.db2.gz YVBAKQSGQMCAMV-VKNNWULWSA-N 1 3 363.452 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ncccc2C)CC[N@@H+]1C ZINC001087168454 964816003 /nfs/dbraw/zinc/81/60/03/964816003.db2.gz NVBQMRCMEPKORZ-BOFXEDATSA-N 1 3 372.557 2.837 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ncccc2C)CC[N@H+]1C ZINC001087168454 964816010 /nfs/dbraw/zinc/81/60/10/964816010.db2.gz NVBQMRCMEPKORZ-BOFXEDATSA-N 1 3 372.557 2.837 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000664789737 965272881 /nfs/dbraw/zinc/27/28/81/965272881.db2.gz GDBCLFUSJCXGRD-HNAYVOBHSA-N 1 3 364.509 2.774 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000664789737 965272891 /nfs/dbraw/zinc/27/28/91/965272891.db2.gz GDBCLFUSJCXGRD-HNAYVOBHSA-N 1 3 364.509 2.774 20 0 FFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087468971 965282886 /nfs/dbraw/zinc/28/28/86/965282886.db2.gz BHNNVYBFQPFLQJ-NSISKUIASA-N 1 3 361.505 2.852 20 0 FFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001087468971 965282899 /nfs/dbraw/zinc/28/28/99/965282899.db2.gz BHNNVYBFQPFLQJ-NSISKUIASA-N 1 3 361.505 2.852 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000664909834 965977064 /nfs/dbraw/zinc/97/70/64/965977064.db2.gz AVYICSTZGJLWEN-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000664909834 965977079 /nfs/dbraw/zinc/97/70/79/965977079.db2.gz AVYICSTZGJLWEN-IHPCNDPISA-N 1 3 358.530 2.775 20 0 FFADHO c1csc(CN2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)n1 ZINC001167988238 966074097 /nfs/dbraw/zinc/07/40/97/966074097.db2.gz IPWIUYZZGFQTNV-YCMWJMFESA-N 1 3 372.582 2.912 20 0 FFADHO c1csc(CN2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)N5CC4CC4)C[C@@H]3C2)n1 ZINC001167988238 966074108 /nfs/dbraw/zinc/07/41/08/966074108.db2.gz IPWIUYZZGFQTNV-YCMWJMFESA-N 1 3 372.582 2.912 20 0 FFADHO c1nc2n(c1C[NH2+]CCCCN1CCN(c3ccccc3)CC1)CCC2 ZINC000657319341 966150106 /nfs/dbraw/zinc/15/01/06/966150106.db2.gz WEACXRRUVRFBMW-UHFFFAOYSA-N 1 3 353.514 2.521 20 0 FFADHO CCOc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)c1 ZINC000657367532 966315755 /nfs/dbraw/zinc/31/57/55/966315755.db2.gz PNTIXMNTOMGQBB-UHFFFAOYSA-N 1 3 369.509 2.975 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000892260197 966488944 /nfs/dbraw/zinc/48/89/44/966488944.db2.gz IGCKYEGCZYZNSG-GSEOLPGOSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000892260197 966488948 /nfs/dbraw/zinc/48/89/48/966488948.db2.gz IGCKYEGCZYZNSG-GSEOLPGOSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001087213431 966592949 /nfs/dbraw/zinc/59/29/49/966592949.db2.gz UUIXVCAIKHERFF-WBVHZDCISA-N 1 3 371.516 2.980 20 0 FFADHO c1cn(-c2ccccc2)nc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535146 966825365 /nfs/dbraw/zinc/82/53/65/966825365.db2.gz GPQGRVDHJRUAGB-UHFFFAOYSA-N 1 3 354.498 2.853 20 0 FFADHO COCCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593578 966936923 /nfs/dbraw/zinc/93/69/23/966936923.db2.gz AQCZKVRBMPCSFL-NRFANRHFSA-N 1 3 370.493 2.568 20 0 FFADHO COCCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593578 966936932 /nfs/dbraw/zinc/93/69/32/966936932.db2.gz AQCZKVRBMPCSFL-NRFANRHFSA-N 1 3 370.493 2.568 20 0 FFADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1OC ZINC000657595064 966940882 /nfs/dbraw/zinc/94/08/82/966940882.db2.gz WRAWMJZUGLDLIB-LJQANCHMSA-N 1 3 356.466 2.560 20 0 FFADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OC ZINC000657595064 966940889 /nfs/dbraw/zinc/94/08/89/966940889.db2.gz WRAWMJZUGLDLIB-LJQANCHMSA-N 1 3 356.466 2.560 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[C@@H]2CC[N@H+](C)C2)sn1 ZINC001087236382 967474333 /nfs/dbraw/zinc/47/43/33/967474333.db2.gz TWXUIOZVMYSJQI-PVAVHDDUSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)sn1 ZINC001087236382 967474341 /nfs/dbraw/zinc/47/43/41/967474341.db2.gz TWXUIOZVMYSJQI-PVAVHDDUSA-N 1 3 364.559 2.510 20 0 FFADHO O=C1CCCN1C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093088482 967482421 /nfs/dbraw/zinc/48/24/21/967482421.db2.gz GFGIHMUUZFYECW-UHFFFAOYSA-N 1 3 371.525 2.748 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1cnn(CC[NH+]2CCCC2)c1 ZINC001176560294 1013732472 /nfs/dbraw/zinc/73/24/72/1013732472.db2.gz NSOXCALMSOYXKV-UHFFFAOYSA-N 1 3 368.529 2.783 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000665287509 968020937 /nfs/dbraw/zinc/02/09/37/968020937.db2.gz NDJFHRFRNLVNOG-QFIPXVFZSA-N 1 3 366.509 2.751 20 0 FFADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000128154068 968090856 /nfs/dbraw/zinc/09/08/56/968090856.db2.gz AXFKVMSLGPQGHN-PKOBYXMFSA-N 1 3 359.514 2.694 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)CC[N@@H+]1C ZINC001075813633 968179068 /nfs/dbraw/zinc/17/90/68/968179068.db2.gz QTKINEPUYAMXNE-UWHLTILDSA-N 1 3 373.516 2.919 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)CC[N@H+]1C ZINC001075813633 968179073 /nfs/dbraw/zinc/17/90/73/968179073.db2.gz QTKINEPUYAMXNE-UWHLTILDSA-N 1 3 373.516 2.919 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665355499 969074887 /nfs/dbraw/zinc/07/48/87/969074887.db2.gz XERHRXJANIPVQB-WOJBJXKFSA-N 1 3 372.557 2.818 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665355499 969074894 /nfs/dbraw/zinc/07/48/94/969074894.db2.gz XERHRXJANIPVQB-WOJBJXKFSA-N 1 3 372.557 2.818 20 0 FFADHO COc1ccc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)nc1 ZINC000892510695 969240393 /nfs/dbraw/zinc/24/03/93/969240393.db2.gz RHAKFQVALUCHGE-IRXDYDNUSA-N 1 3 355.482 2.989 20 0 FFADHO CCN(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000892593470 969544508 /nfs/dbraw/zinc/54/45/08/969544508.db2.gz LIKXZHHPNYOOFR-PLACYPQZSA-N 1 3 370.541 2.823 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000892601876 969565836 /nfs/dbraw/zinc/56/58/36/969565836.db2.gz NRBYZULIGWMDCG-ACDBMABISA-N 1 3 358.530 2.599 20 0 FFADHO [NH3+]Cc1ccc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000659020850 969635650 /nfs/dbraw/zinc/63/56/50/969635650.db2.gz BSZCZGRQHDWVGZ-UHFFFAOYSA-N 1 3 353.470 2.574 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033936 969643028 /nfs/dbraw/zinc/64/30/28/969643028.db2.gz ZWAMKUGWLFCMJC-PFRQMTDMSA-N 1 3 374.529 2.835 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033936 969643030 /nfs/dbraw/zinc/64/30/30/969643030.db2.gz ZWAMKUGWLFCMJC-PFRQMTDMSA-N 1 3 374.529 2.835 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031901 969645222 /nfs/dbraw/zinc/64/52/22/969645222.db2.gz PHDVYQBQHWWHJL-GPMSIDNRSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031901 969645227 /nfs/dbraw/zinc/64/52/27/969645227.db2.gz PHDVYQBQHWWHJL-GPMSIDNRSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000659030054 969645554 /nfs/dbraw/zinc/64/55/54/969645554.db2.gz GGHUXCRQPYOPLP-GJYPPUQNSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000659030054 969645558 /nfs/dbraw/zinc/64/55/58/969645558.db2.gz GGHUXCRQPYOPLP-GJYPPUQNSA-N 1 3 360.502 2.589 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)c(C)c2)CC1 ZINC000659289942 969802591 /nfs/dbraw/zinc/80/25/91/969802591.db2.gz HODQCZKYMOIIRI-UHFFFAOYSA-N 1 3 356.514 2.737 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000659424946 969912630 /nfs/dbraw/zinc/91/26/30/969912630.db2.gz DNASNUYZQDYAFL-VQTJNVASSA-N 1 3 358.530 2.711 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)[C@@H]1c1ccccc1 ZINC000659473779 969970007 /nfs/dbraw/zinc/97/00/07/969970007.db2.gz MYSOPPCWPMNVSW-HKBOAZHASA-N 1 3 370.541 2.853 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001104641719 970011778 /nfs/dbraw/zinc/01/17/78/970011778.db2.gz ZDLYNBOEYJAVOU-YVWKXTFCSA-N 1 3 363.521 2.986 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1CC[NH2+]CC1CC1 ZINC001104681676 970093066 /nfs/dbraw/zinc/09/30/66/970093066.db2.gz MVZBFKKKZYIRJI-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2c(C)nsc2C)C1)N(C)C ZINC001104691161 970110342 /nfs/dbraw/zinc/11/03/42/970110342.db2.gz KLKIDKJYHRCNJP-QBIMZIAESA-N 1 3 366.575 2.674 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665366631 970398613 /nfs/dbraw/zinc/39/86/13/970398613.db2.gz DNOUNUYDLHWZOF-GOSISDBHSA-N 1 3 364.509 2.772 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000665555665 972760612 /nfs/dbraw/zinc/76/06/12/972760612.db2.gz JQLLYIWBMKSREI-MOPGFXCFSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000665555665 972760618 /nfs/dbraw/zinc/76/06/18/972760618.db2.gz JQLLYIWBMKSREI-MOPGFXCFSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665557610 972774289 /nfs/dbraw/zinc/77/42/89/972774289.db2.gz ZUPPMUZFCZFOGA-INIZCTEOSA-N 1 3 362.518 2.758 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665557610 972774297 /nfs/dbraw/zinc/77/42/97/972774297.db2.gz ZUPPMUZFCZFOGA-INIZCTEOSA-N 1 3 362.518 2.758 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C/C=C\c4ccccc4)CC[C@@H]3C2)C1 ZINC001088106422 972808768 /nfs/dbraw/zinc/80/87/68/972808768.db2.gz ZGHHWHMLXFYUAQ-JKALWCLISA-N 1 3 367.537 2.822 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C/C=C\c4ccccc4)CC[C@@H]3C2)C1 ZINC001088106422 972808780 /nfs/dbraw/zinc/80/87/80/972808780.db2.gz ZGHHWHMLXFYUAQ-JKALWCLISA-N 1 3 367.537 2.822 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001088105938 972819008 /nfs/dbraw/zinc/81/90/08/972819008.db2.gz ILFYPUJTZIQVLF-QRQLOZEOSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001088105938 972819024 /nfs/dbraw/zinc/81/90/24/972819024.db2.gz ILFYPUJTZIQVLF-QRQLOZEOSA-N 1 3 359.489 2.590 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106174 972822148 /nfs/dbraw/zinc/82/21/48/972822148.db2.gz PBMBZWGFJMVNLN-TYPHKJRUSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106174 972822160 /nfs/dbraw/zinc/82/21/60/972822160.db2.gz PBMBZWGFJMVNLN-TYPHKJRUSA-N 1 3 355.526 2.760 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC5(CCC5)C4)CC[C@@H]3C2)C1 ZINC001088106818 972826012 /nfs/dbraw/zinc/82/60/12/972826012.db2.gz SJIAFFOMFNVXOV-RLLQIKCJSA-N 1 3 359.558 2.689 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC5(CCC5)C4)CC[C@@H]3C2)C1 ZINC001088106818 972826021 /nfs/dbraw/zinc/82/60/21/972826021.db2.gz SJIAFFOMFNVXOV-RLLQIKCJSA-N 1 3 359.558 2.689 20 0 FFADHO Cc1cccc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088121140 972916970 /nfs/dbraw/zinc/91/69/70/972916970.db2.gz QKZFVXHKOSGAFP-UXHICEINSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1cccc(CCC[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c1 ZINC001088121140 972916981 /nfs/dbraw/zinc/91/69/81/972916981.db2.gz QKZFVXHKOSGAFP-UXHICEINSA-N 1 3 366.509 2.674 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CCN(C/C=C\Cl)C[C@H]3C2)c1 ZINC001088210410 973662283 /nfs/dbraw/zinc/66/22/83/973662283.db2.gz KNVHQVKVDBXITQ-CIWFJCTISA-N 1 3 361.917 2.895 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000661410114 974245403 /nfs/dbraw/zinc/24/54/03/974245403.db2.gz QTFVNUYLTWBPKT-SLFFLAALSA-N 1 3 370.541 2.775 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000661410114 974245406 /nfs/dbraw/zinc/24/54/06/974245406.db2.gz QTFVNUYLTWBPKT-SLFFLAALSA-N 1 3 370.541 2.775 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000652284346 974771293 /nfs/dbraw/zinc/77/12/93/974771293.db2.gz RCWBUNKHHIWFHG-UHFFFAOYSA-N 1 3 372.488 2.819 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295568 975409657 /nfs/dbraw/zinc/40/96/57/975409657.db2.gz GWUWNQFYUDDEAE-HKUYNNGSSA-N 1 3 373.541 2.926 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)Cc1ccccc1 ZINC000662347094 975449634 /nfs/dbraw/zinc/44/96/34/975449634.db2.gz ZCHFIMCETPQALO-LEWJYISDSA-N 1 3 365.521 2.968 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc3c2CNC3)cc1 ZINC000662444688 975546801 /nfs/dbraw/zinc/54/68/01/975546801.db2.gz JPKYOYGGFZPQGD-UHFFFAOYSA-N 1 3 353.466 2.550 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662479739 975606843 /nfs/dbraw/zinc/60/68/43/975606843.db2.gz LTTYDFJOKNNYPQ-UWJYYQICSA-N 1 3 369.509 2.592 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000663443223 975903421 /nfs/dbraw/zinc/90/34/21/975903421.db2.gz CUWXIFYILLDKPS-LEWJYISDSA-N 1 3 372.557 2.581 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000663443223 975903433 /nfs/dbraw/zinc/90/34/33/975903433.db2.gz CUWXIFYILLDKPS-LEWJYISDSA-N 1 3 372.557 2.581 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2cccnc2)C1 ZINC001211695353 975917614 /nfs/dbraw/zinc/91/76/14/975917614.db2.gz XTXUWJKYMDVHJN-LEWJYISDSA-N 1 3 366.509 2.508 20 0 FFADHO CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663460109 975965565 /nfs/dbraw/zinc/96/55/65/975965565.db2.gz YBYCGQBRZIMRFB-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663460109 975965575 /nfs/dbraw/zinc/96/55/75/975965575.db2.gz YBYCGQBRZIMRFB-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)CN1Cc1ccccc1 ZINC000893621049 976048797 /nfs/dbraw/zinc/04/87/97/976048797.db2.gz IWXLMFKLCHCCAD-UTKZUKDTSA-N 1 3 370.541 2.966 20 0 FFADHO COc1cccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@H](N(C)C)C3)CC2)c1 ZINC001167857154 976906675 /nfs/dbraw/zinc/90/66/75/976906675.db2.gz LFPIQGDLENNHIX-OALUTQOASA-N 1 3 359.514 2.762 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cnccc2C)CC3)CC[N@@H+]1C ZINC000990762363 976963560 /nfs/dbraw/zinc/96/35/60/976963560.db2.gz MDMPVXVCRYJFDR-GPQLQYNLSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cnccc2C)CC3)CC[N@H+]1C ZINC000990762363 976963569 /nfs/dbraw/zinc/96/35/69/976963569.db2.gz MDMPVXVCRYJFDR-GPQLQYNLSA-N 1 3 370.541 2.734 20 0 FFADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667804031 977074652 /nfs/dbraw/zinc/07/46/52/977074652.db2.gz ULCNPSAIISUIKL-UHFFFAOYSA-N 1 3 359.518 2.894 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3cc(F)ccc3F)CCCC2)CC[N@@H+]1C ZINC001481896755 977742091 /nfs/dbraw/zinc/74/20/91/977742091.db2.gz ARCXCPDGFCOSSG-RHSMWYFYSA-N 1 3 365.468 2.824 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3cc(F)ccc3F)CCCC2)CC[N@H+]1C ZINC001481896755 977742102 /nfs/dbraw/zinc/74/21/02/977742102.db2.gz ARCXCPDGFCOSSG-RHSMWYFYSA-N 1 3 365.468 2.824 20 0 FFADHO CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664127702 978050864 /nfs/dbraw/zinc/05/08/64/978050864.db2.gz WDFKNQAQGGFREW-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000664127702 978050869 /nfs/dbraw/zinc/05/08/69/978050869.db2.gz WDFKNQAQGGFREW-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001076242761 979273851 /nfs/dbraw/zinc/27/38/51/979273851.db2.gz QOSXTOIVNMXAHL-LSTHTHJFSA-N 1 3 359.489 2.531 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001076242761 979273855 /nfs/dbraw/zinc/27/38/55/979273855.db2.gz QOSXTOIVNMXAHL-LSTHTHJFSA-N 1 3 359.489 2.531 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001075876164 979370370 /nfs/dbraw/zinc/37/03/70/979370370.db2.gz MCNXYYZCZPPWPL-PCCBWWKXSA-N 1 3 355.526 2.697 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001075876164 979370374 /nfs/dbraw/zinc/37/03/74/979370374.db2.gz MCNXYYZCZPPWPL-PCCBWWKXSA-N 1 3 355.526 2.697 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)cs1 ZINC001076323877 979383940 /nfs/dbraw/zinc/38/39/40/979383940.db2.gz JCPMDTALQHRSJK-RBUKOAKNSA-N 1 3 361.555 2.821 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)C1 ZINC001076457902 979516312 /nfs/dbraw/zinc/51/63/12/979516312.db2.gz WKZUROGSTNZVSP-XKGZKEIXSA-N 1 3 367.493 2.807 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)C1 ZINC001076457902 979516317 /nfs/dbraw/zinc/51/63/17/979516317.db2.gz WKZUROGSTNZVSP-XKGZKEIXSA-N 1 3 367.493 2.807 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CCCCCC[NH3+])cc2)CC1 ZINC000877438790 1014582114 /nfs/dbraw/zinc/58/21/14/1014582114.db2.gz WIXPZBJFURYUCE-UHFFFAOYSA-N 1 3 360.546 2.808 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc2ncccc2c1 ZINC001088835528 979834364 /nfs/dbraw/zinc/83/43/64/979834364.db2.gz AQPKLWLLNZACNK-UZLBHIALSA-N 1 3 366.509 2.656 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)CC1(O)CCCC1 ZINC000905379671 980431137 /nfs/dbraw/zinc/43/11/37/980431137.db2.gz DOXOOQMPWNTZBT-NHCUHLMSSA-N 1 3 372.553 2.934 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1 ZINC001075906485 981277841 /nfs/dbraw/zinc/27/78/41/981277841.db2.gz MPUITMMVZCBEED-QKNQBKEWSA-N 1 3 371.525 2.602 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@H+]4C)[C@@H]3C2)cc1 ZINC001075906485 981277845 /nfs/dbraw/zinc/27/78/45/981277845.db2.gz MPUITMMVZCBEED-QKNQBKEWSA-N 1 3 371.525 2.602 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1cccc2cccnc21 ZINC001088577843 981287067 /nfs/dbraw/zinc/28/70/67/981287067.db2.gz ROVKERKAEUPETO-SMOSDQRPSA-N 1 3 366.509 2.654 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1cccc2cccnc21 ZINC001088577843 981287072 /nfs/dbraw/zinc/28/70/72/981287072.db2.gz ROVKERKAEUPETO-SMOSDQRPSA-N 1 3 366.509 2.654 20 0 FFADHO CCN(CC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)C(=O)[C@@H]1CCCN1C ZINC001482914161 981589920 /nfs/dbraw/zinc/58/99/20/981589920.db2.gz JQXKVHKEKHBWGX-BZSNNMDCSA-N 1 3 365.468 2.568 20 0 FFADHO C[C@@H]1CN(Cc2sc(N3CCC(O)CC3)nc2Cl)CCC[C@H]1C[NH3+] ZINC001206004015 1032103394 /nfs/dbraw/zinc/10/33/94/1032103394.db2.gz OYEIWNOKBSXJBV-OLZOCXBDSA-N 1 3 372.966 2.564 20 0 FFADHO COc1ccc(CN(CC(=O)NC2CC[NH+](C)CC2)[C@@H](C)C2CC2)cc1 ZINC000877990453 1014799836 /nfs/dbraw/zinc/79/98/36/1014799836.db2.gz SJEPEDSCRKVVGB-INIZCTEOSA-N 1 3 359.514 2.506 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](COC)c3ccccc3)CC2)CC1 ZINC000654698661 1014847546 /nfs/dbraw/zinc/84/75/46/1014847546.db2.gz YSYNAMITCNICOE-NRFANRHFSA-N 1 3 373.541 2.687 20 0 FFADHO C[NH+](C)C1CCC(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)CC1 ZINC001168322217 982896990 /nfs/dbraw/zinc/89/69/90/982896990.db2.gz QANYAFCBTHJREJ-VIQWUECVSA-N 1 3 369.513 2.662 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCN1C ZINC000925325867 982923583 /nfs/dbraw/zinc/92/35/83/982923583.db2.gz UAFBAJXWWDEKEX-HNBVOPMISA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCN1C ZINC000925325867 982923588 /nfs/dbraw/zinc/92/35/88/982923588.db2.gz UAFBAJXWWDEKEX-HNBVOPMISA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCN1C ZINC000925325868 982923938 /nfs/dbraw/zinc/92/39/38/982923938.db2.gz UAFBAJXWWDEKEX-IZBJGVDFSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCN1C ZINC000925325868 982923945 /nfs/dbraw/zinc/92/39/45/982923945.db2.gz UAFBAJXWWDEKEX-IZBJGVDFSA-N 1 3 358.530 2.774 20 0 FFADHO C[NH+](C)C1CCC(N2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 ZINC001168327852 982931665 /nfs/dbraw/zinc/93/16/65/982931665.db2.gz RLUPULWDGGEIJS-GHBBCFCZSA-N 1 3 369.509 2.509 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416927965 984076180 /nfs/dbraw/zinc/07/61/80/984076180.db2.gz UBKPWPNFLWYPIV-JENIJYKNSA-N 1 3 362.518 2.647 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000654412655 984127072 /nfs/dbraw/zinc/12/70/72/984127072.db2.gz UWYPGKSZBDLNSI-SXLOBPIMSA-N 1 3 358.530 2.771 20 0 FFADHO c1cc(-c2ncnc3c2CC[N@H+](C2CCN(CC4CC4)CC2)CC3)ccn1 ZINC001168380970 984374630 /nfs/dbraw/zinc/37/46/30/984374630.db2.gz VXVDLDLEAIVKSA-UHFFFAOYSA-N 1 3 363.509 2.814 20 0 FFADHO c1cc(-c2ncnc3c2CC[N@@H+](C2CCN(CC4CC4)CC2)CC3)ccn1 ZINC001168380970 984374640 /nfs/dbraw/zinc/37/46/40/984374640.db2.gz VXVDLDLEAIVKSA-UHFFFAOYSA-N 1 3 363.509 2.814 20 0 FFADHO COCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402286 984508087 /nfs/dbraw/zinc/50/80/87/984508087.db2.gz KJSZJNHPJOVABV-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO COCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402286 984508090 /nfs/dbraw/zinc/50/80/90/984508090.db2.gz KJSZJNHPJOVABV-QKNQBKEWSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000669405676 984535493 /nfs/dbraw/zinc/53/54/93/984535493.db2.gz GACILYUEGIDCNL-SLYNCCJLSA-N 1 3 356.514 2.607 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncc(C)c1)CC2)N(C)C ZINC001107450809 984555203 /nfs/dbraw/zinc/55/52/03/984555203.db2.gz NWEDETGPNICILY-SFHLNBCPSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cncc(C)c1)CC2)N(C)C ZINC001107450809 984555206 /nfs/dbraw/zinc/55/52/06/984555206.db2.gz NWEDETGPNICILY-SFHLNBCPSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000669427685 984574841 /nfs/dbraw/zinc/57/48/41/984574841.db2.gz ZFGKIIHVBCKPKC-SXLOBPIMSA-N 1 3 358.530 2.949 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483709 984652978 /nfs/dbraw/zinc/65/29/78/984652978.db2.gz JBVOZSNPXQYICL-AZUAARDMSA-N 1 3 358.530 2.984 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669586940 984872070 /nfs/dbraw/zinc/87/20/70/984872070.db2.gz ALGZVVUVIKSDTK-UXHICEINSA-N 1 3 360.546 2.929 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646655 984938131 /nfs/dbraw/zinc/93/81/31/984938131.db2.gz OSYVQBBDPYWCMI-UYAOXDASSA-N 1 3 353.551 2.504 20 0 FFADHO COCCCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646655 984938133 /nfs/dbraw/zinc/93/81/33/984938133.db2.gz OSYVQBBDPYWCMI-UYAOXDASSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)nc2)[C@@H](C)C1 ZINC000765251081 985004101 /nfs/dbraw/zinc/00/41/01/985004101.db2.gz KQUSGRDWZYZQIX-PXNSSMCTSA-N 1 3 371.529 2.802 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000654725220 985346150 /nfs/dbraw/zinc/34/61/50/985346150.db2.gz DOGSHUVKNKUFFJ-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000654725220 985346164 /nfs/dbraw/zinc/34/61/64/985346164.db2.gz DOGSHUVKNKUFFJ-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106111970 986533447 /nfs/dbraw/zinc/53/34/47/986533447.db2.gz UJXDAGBJMVUTJJ-WRLWFLKZSA-N 1 3 362.345 2.862 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106111970 986533453 /nfs/dbraw/zinc/53/34/53/986533453.db2.gz UJXDAGBJMVUTJJ-WRLWFLKZSA-N 1 3 362.345 2.862 20 0 FFADHO C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382728015 986889841 /nfs/dbraw/zinc/88/98/41/986889841.db2.gz WMWRGOYGGLRHAJ-YJBOKZPZSA-N 1 3 369.431 2.651 20 0 FFADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001485960363 987236818 /nfs/dbraw/zinc/23/68/18/987236818.db2.gz FJICTBHLOXTKPA-AYBZRNKSSA-N 1 3 367.484 2.812 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2O1 ZINC000921980024 987432337 /nfs/dbraw/zinc/43/23/37/987432337.db2.gz IGFOEOFESOIJHS-KKSFZXQISA-N 1 3 352.478 2.866 20 0 FFADHO C[C@H]1Cc2cc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2O1 ZINC000921980024 987432341 /nfs/dbraw/zinc/43/23/41/987432341.db2.gz IGFOEOFESOIJHS-KKSFZXQISA-N 1 3 352.478 2.866 20 0 FFADHO C[C@@H](CCN1CCC(n2ccnc2)CC1)[NH+]1CCC(n2ccnc2)CC1 ZINC000153467741 987640654 /nfs/dbraw/zinc/64/06/54/987640654.db2.gz RUFMNAUBKONJNL-SFHVURJKSA-N 1 3 356.518 2.832 20 0 FFADHO Cc1cccnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001085196474 988043755 /nfs/dbraw/zinc/04/37/55/988043755.db2.gz AFWKEEUORSJIRQ-QWFCFKBJSA-N 1 3 358.530 2.780 20 0 FFADHO C[C@@H](CC[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000922254885 988263179 /nfs/dbraw/zinc/26/31/79/988263179.db2.gz OVWGZGJBDJMALA-DLBZAZTESA-N 1 3 369.550 2.865 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC000922389171 988536871 /nfs/dbraw/zinc/53/68/71/988536871.db2.gz SFPNJJPZGBEXMG-GXRSIYKFSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC000922389171 988536884 /nfs/dbraw/zinc/53/68/84/988536884.db2.gz SFPNJJPZGBEXMG-GXRSIYKFSA-N 1 3 368.525 2.501 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCc2c(F)cccc2F)[C@H](C)C1)N(C)C ZINC001106673634 988618208 /nfs/dbraw/zinc/61/82/08/988618208.db2.gz JNIKFIKYHSEWQB-CLCXKQKWSA-N 1 3 367.484 2.532 20 0 FFADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106729096 988789550 /nfs/dbraw/zinc/78/95/50/988789550.db2.gz HYCBLCLLOXGXEV-NDYVJRKLSA-N 1 3 362.345 2.721 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001033098074 988799265 /nfs/dbraw/zinc/79/92/65/988799265.db2.gz BJYUHZDKADKHBK-SVFBPWRDSA-N 1 3 368.525 2.931 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001033098074 988799273 /nfs/dbraw/zinc/79/92/73/988799273.db2.gz BJYUHZDKADKHBK-SVFBPWRDSA-N 1 3 368.525 2.931 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC001106779534 989026436 /nfs/dbraw/zinc/02/64/36/989026436.db2.gz QVVPWAWUTXUTLE-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1)C(C)C ZINC001106778209 989032434 /nfs/dbraw/zinc/03/24/34/989032434.db2.gz DWRHMTAKSNMOCD-JFIYKMOQSA-N 1 3 366.575 2.694 20 0 FFADHO O=C(CC[NH+]1CCCC1)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001273121477 989459918 /nfs/dbraw/zinc/45/99/18/989459918.db2.gz QYJUPZJUGJWZMV-UHFFFAOYSA-N 1 3 361.452 2.739 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC(N)=O)cc1 ZINC000674068148 989537115 /nfs/dbraw/zinc/53/71/15/989537115.db2.gz SXYXSJOHJCLSTC-LAUBAEHRSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC(N)=O)cc1 ZINC000674068148 989537116 /nfs/dbraw/zinc/53/71/16/989537116.db2.gz SXYXSJOHJCLSTC-LAUBAEHRSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC(N)=O)cc1 ZINC000674068150 989537192 /nfs/dbraw/zinc/53/71/92/989537192.db2.gz SXYXSJOHJCLSTC-UTKZUKDTSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC(N)=O)cc1 ZINC000674068150 989537196 /nfs/dbraw/zinc/53/71/96/989537196.db2.gz SXYXSJOHJCLSTC-UTKZUKDTSA-N 1 3 351.494 2.715 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652192512 1015493847 /nfs/dbraw/zinc/49/38/47/1015493847.db2.gz CTJZMALGEXWJJT-LJQANCHMSA-N 1 3 360.546 2.916 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C/C=C/c3ccccc3)CC2)CC[N@@H+]1C ZINC001005413464 989767834 /nfs/dbraw/zinc/76/78/34/989767834.db2.gz SFRWOTJFVAHLJF-RZPZFSSYSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(C/C=C/c3ccccc3)CC2)CC[N@H+]1C ZINC001005413464 989767849 /nfs/dbraw/zinc/76/78/49/989767849.db2.gz SFRWOTJFVAHLJF-RZPZFSSYSA-N 1 3 355.526 2.963 20 0 FFADHO c1cc(C[NH+]2CCCC2)cc(-c2noc([C@@H]3CN4CCC[C@H]4CO3)n2)c1 ZINC000923869122 990707747 /nfs/dbraw/zinc/70/77/47/990707747.db2.gz YBDCOXDIBASPDI-ROUUACIJSA-N 1 3 354.454 2.868 20 0 FFADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1 ZINC000879671262 1015631555 /nfs/dbraw/zinc/63/15/55/1015631555.db2.gz JXYINBVVXHRFLF-BRWVUGGUSA-N 1 3 369.431 2.892 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC001484521375 991644131 /nfs/dbraw/zinc/64/41/31/991644131.db2.gz QJRVLLQYMJOLCY-BFYDXBDKSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC001484521375 991644134 /nfs/dbraw/zinc/64/41/34/991644134.db2.gz QJRVLLQYMJOLCY-BFYDXBDKSA-N 1 3 365.468 2.633 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC3CC3)C2)CCC1 ZINC001079186601 991897041 /nfs/dbraw/zinc/89/70/41/991897041.db2.gz UFPVOOHPHWDURV-RBUKOAKNSA-N 1 3 359.489 2.604 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1c1ccccc1F ZINC001079314741 991988474 /nfs/dbraw/zinc/98/84/74/991988474.db2.gz IRUJHICZKMGKMF-DFQSSKMNSA-N 1 3 361.505 2.993 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H](CNCc2ccc(F)cc2F)C2CC2)CC[N@@H+]1C ZINC001485812468 992566924 /nfs/dbraw/zinc/56/69/24/992566924.db2.gz ZJLUBYRZUYGWPK-XVSDVWIESA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H](CNCc2ccc(F)cc2F)C2CC2)CC[N@H+]1C ZINC001485812468 992566933 /nfs/dbraw/zinc/56/69/33/992566933.db2.gz ZJLUBYRZUYGWPK-XVSDVWIESA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787852 993374222 /nfs/dbraw/zinc/37/42/22/993374222.db2.gz VNZGWOJXKYRKKS-CDHQVMDDSA-N 1 3 371.500 2.735 20 0 FFADHO C[C@@H]1CN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC000880258161 1015791763 /nfs/dbraw/zinc/79/17/63/1015791763.db2.gz DKNNRTPNQJDVIS-QZTJIDSGSA-N 1 3 358.530 2.877 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCCC2)C1 ZINC001081188645 993744680 /nfs/dbraw/zinc/74/46/80/993744680.db2.gz DBCUHIVHPWJXAI-VQTJNVASSA-N 1 3 352.482 2.727 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CC2)C1 ZINC001081231402 993769648 /nfs/dbraw/zinc/76/96/48/993769648.db2.gz HJRAQYLHGICRTP-PWRODBHTSA-N 1 3 355.526 2.855 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCC3CCCC3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699301 993948844 /nfs/dbraw/zinc/94/88/44/993948844.db2.gz OFJKLMALUGJJID-MTQWCTHYSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCC3CCCC3)C[C@H]2OC)CC[N@H+]1C ZINC001081699301 993948852 /nfs/dbraw/zinc/94/88/52/993948852.db2.gz OFJKLMALUGJJID-MTQWCTHYSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCCN(C)CC[NH+](C)C ZINC000808781859 994259629 /nfs/dbraw/zinc/25/96/29/994259629.db2.gz UZCVHAVKKWYYJC-SFHVURJKSA-N 1 3 370.541 2.982 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001131464413 994279034 /nfs/dbraw/zinc/27/90/34/994279034.db2.gz PZISVBPXZNUKGX-QRVBRYPASA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1sccc1Cl ZINC001082520644 994812820 /nfs/dbraw/zinc/81/28/20/994812820.db2.gz KHALUWLKWVGFNG-RGCMKSIDSA-N 1 3 355.935 2.678 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1sccc1Cl ZINC001082520644 994812831 /nfs/dbraw/zinc/81/28/31/994812831.db2.gz KHALUWLKWVGFNG-RGCMKSIDSA-N 1 3 355.935 2.678 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082544882 994888464 /nfs/dbraw/zinc/88/84/64/994888464.db2.gz WFTVOTCBOZYGDQ-NIKGAXFTSA-N 1 3 365.468 2.776 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082544882 994888470 /nfs/dbraw/zinc/88/84/70/994888470.db2.gz WFTVOTCBOZYGDQ-NIKGAXFTSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC001082557390 994927849 /nfs/dbraw/zinc/92/78/49/994927849.db2.gz AMOTUFGWHHMJRW-VQIMIIECSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NCc1c(F)cccc1F ZINC001082620613 995100653 /nfs/dbraw/zinc/10/06/53/995100653.db2.gz HOQCNEQHYSIBPR-BFUOFWGJSA-N 1 3 370.403 2.863 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2cccnc2)CC2(CCC2)C1 ZINC000880664347 1015932078 /nfs/dbraw/zinc/93/20/78/1015932078.db2.gz PLIKLKLVXLVNNI-SFHVURJKSA-N 1 3 372.557 2.672 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2cccnc2)CC2(CCC2)C1 ZINC000880664347 1015932085 /nfs/dbraw/zinc/93/20/85/1015932085.db2.gz PLIKLKLVXLVNNI-SFHVURJKSA-N 1 3 372.557 2.672 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001082724815 995361400 /nfs/dbraw/zinc/36/14/00/995361400.db2.gz LVVOCTRKNUBZCH-DUXKGJEZSA-N 1 3 359.558 2.814 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(Cl)c3)C2)C1 ZINC001082741877 995398394 /nfs/dbraw/zinc/39/83/94/995398394.db2.gz HJLHQFUGHGFZSA-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC001082742978 995399810 /nfs/dbraw/zinc/39/98/10/995399810.db2.gz ZHDIRLHIVGVDRB-CBGDNZLLSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(Cl)c(F)c3)C2)C1 ZINC001082742190 995400467 /nfs/dbraw/zinc/40/04/67/995400467.db2.gz VAHFJXSVPOWOTR-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001082743796 995402874 /nfs/dbraw/zinc/40/28/74/995402874.db2.gz CANSLICPDXTYAZ-OXQOHEQNSA-N 1 3 368.525 2.836 20 0 FFADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccc(Cl)cc1F ZINC001082863019 995670213 /nfs/dbraw/zinc/67/02/13/995670213.db2.gz FDVQZYBFGFSPGG-CXAGYDPISA-N 1 3 365.880 2.511 20 0 FFADHO CN1CCC(NC(=S)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000727280474 995741150 /nfs/dbraw/zinc/74/11/50/995741150.db2.gz IOTRRVWWKXZHLO-UHFFFAOYSA-N 1 3 374.598 2.799 20 0 FFADHO CN1CCC(NC(=S)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000727280474 995741159 /nfs/dbraw/zinc/74/11/59/995741159.db2.gz IOTRRVWWKXZHLO-UHFFFAOYSA-N 1 3 374.598 2.799 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C(C)(C)C)cc4)C[C@H]32)C1 ZINC001084830569 997575693 /nfs/dbraw/zinc/57/56/93/997575693.db2.gz ZHBBEMJDJBBLPR-SFHLNBCPSA-N 1 3 369.553 2.969 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C(C)(C)C)cc4)C[C@H]32)C1 ZINC001084830569 997575702 /nfs/dbraw/zinc/57/57/02/997575702.db2.gz ZHBBEMJDJBBLPR-SFHLNBCPSA-N 1 3 369.553 2.969 20 0 FFADHO S=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000730957331 997583936 /nfs/dbraw/zinc/58/39/36/997583936.db2.gz LVJQZMUXXKEZBY-FQEVSTJZSA-N 1 3 372.582 2.599 20 0 FFADHO S=C(N[C@H]1CC[N@@H+](CC2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000730957331 997583940 /nfs/dbraw/zinc/58/39/40/997583940.db2.gz LVJQZMUXXKEZBY-FQEVSTJZSA-N 1 3 372.582 2.599 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000844225727 997715119 /nfs/dbraw/zinc/71/51/19/997715119.db2.gz SYNKVJNKWITJRF-QYZOEREBSA-N 1 3 370.541 2.935 20 0 FFADHO O=C1O[C@H](CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CN1C1CC1 ZINC000844311886 997768691 /nfs/dbraw/zinc/76/86/91/997768691.db2.gz AKEFYGVNXSHONL-HXUWFJFHSA-N 1 3 369.509 2.958 20 0 FFADHO O=C1O[C@H](CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CN1C1CC1 ZINC000844311886 997768696 /nfs/dbraw/zinc/76/86/96/997768696.db2.gz AKEFYGVNXSHONL-HXUWFJFHSA-N 1 3 369.509 2.958 20 0 FFADHO O=C1O[C@@H](CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CN1C1CC1 ZINC000844311885 997769395 /nfs/dbraw/zinc/76/93/95/997769395.db2.gz AKEFYGVNXSHONL-FQEVSTJZSA-N 1 3 369.509 2.958 20 0 FFADHO O=C1O[C@@H](CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CN1C1CC1 ZINC000844311885 997769405 /nfs/dbraw/zinc/76/94/05/997769405.db2.gz AKEFYGVNXSHONL-FQEVSTJZSA-N 1 3 369.509 2.958 20 0 FFADHO C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903777874 1016190742 /nfs/dbraw/zinc/19/07/42/1016190742.db2.gz GUYWIMXCHIXRLB-QGZVFWFLSA-N 1 3 360.502 2.675 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001084939196 998231333 /nfs/dbraw/zinc/23/13/33/998231333.db2.gz WEPAPGDTMVAYAH-SQNIBIBYSA-N 1 3 369.500 2.827 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@H]2C1 ZINC001084939196 998231342 /nfs/dbraw/zinc/23/13/42/998231342.db2.gz WEPAPGDTMVAYAH-SQNIBIBYSA-N 1 3 369.500 2.827 20 0 FFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793993 1016203318 /nfs/dbraw/zinc/20/33/18/1016203318.db2.gz MJOGCUAOKQVPOT-FQEVSTJZSA-N 1 3 351.494 2.808 20 0 FFADHO C[C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000732274654 998568371 /nfs/dbraw/zinc/56/83/71/998568371.db2.gz KUFYZRASUQFZAO-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1)N1CCCCC1 ZINC001085197969 999135385 /nfs/dbraw/zinc/13/53/85/999135385.db2.gz VOKSGQUSHFCKQP-RTBURBONSA-N 1 3 358.530 2.863 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)C1 ZINC001085224873 999194277 /nfs/dbraw/zinc/19/42/77/999194277.db2.gz ZBKLXLYEKCUGKR-DFQSSKMNSA-N 1 3 358.530 2.577 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)C1 ZINC001085224873 999194279 /nfs/dbraw/zinc/19/42/79/999194279.db2.gz ZBKLXLYEKCUGKR-DFQSSKMNSA-N 1 3 358.530 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH+](CC3CC3)CC3CC3)cc2)CC1 ZINC000734488355 999297754 /nfs/dbraw/zinc/29/77/54/999297754.db2.gz YZMXWCPISRSBCZ-UHFFFAOYSA-N 1 3 370.541 2.889 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)C1 ZINC001085306501 999330309 /nfs/dbraw/zinc/33/03/09/999330309.db2.gz CKWKKPAKTCBBQN-DFQSSKMNSA-N 1 3 358.530 2.721 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)C1 ZINC001085306501 999330315 /nfs/dbraw/zinc/33/03/15/999330315.db2.gz CKWKKPAKTCBBQN-DFQSSKMNSA-N 1 3 358.530 2.721 20 0 FFADHO Clc1ccccc1N1CCC[C@H](NCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903926465 1016308767 /nfs/dbraw/zinc/30/87/67/1016308767.db2.gz SJBYJKWMNZISRL-HOTGVXAUSA-N 1 3 374.920 2.615 20 0 FFADHO CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@H]1C ZINC001085331379 999375249 /nfs/dbraw/zinc/37/52/49/999375249.db2.gz HLZJTLIKDNSYRA-NIKGAXFTSA-N 1 3 362.518 2.547 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)[NH+]1CCCCCC1 ZINC001085352801 999409669 /nfs/dbraw/zinc/40/96/69/999409669.db2.gz XPEJWTULOWYHTN-MISYRCLQSA-N 1 3 358.530 2.863 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2F)C1 ZINC001085393513 999454012 /nfs/dbraw/zinc/45/40/12/999454012.db2.gz ARDSBABABZMVGY-NIKGAXFTSA-N 1 3 365.468 2.824 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2F)C1 ZINC001085393513 999454016 /nfs/dbraw/zinc/45/40/16/999454016.db2.gz ARDSBABABZMVGY-NIKGAXFTSA-N 1 3 365.468 2.824 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001085422350 999496377 /nfs/dbraw/zinc/49/63/77/999496377.db2.gz QHEFLHKSBAVLHP-NSISKUIASA-N 1 3 358.530 2.674 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001085422350 999496380 /nfs/dbraw/zinc/49/63/80/999496380.db2.gz QHEFLHKSBAVLHP-NSISKUIASA-N 1 3 358.530 2.674 20 0 FFADHO Cc1cccc(CCCN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001085605373 999593771 /nfs/dbraw/zinc/59/37/71/999593771.db2.gz IAYBYNYYQJNDKF-HMXCVIKNSA-N 1 3 357.542 2.801 20 0 FFADHO Cc1cccc(CCCN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001085605373 999593775 /nfs/dbraw/zinc/59/37/75/999593775.db2.gz IAYBYNYYQJNDKF-HMXCVIKNSA-N 1 3 357.542 2.801 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000743027684 999796925 /nfs/dbraw/zinc/79/69/25/999796925.db2.gz MOPDGBRCUCNCNK-IBGZPJMESA-N 1 3 374.598 2.799 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000743027684 999796927 /nfs/dbraw/zinc/79/69/27/999796927.db2.gz MOPDGBRCUCNCNK-IBGZPJMESA-N 1 3 374.598 2.799 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC000745865044 999934480 /nfs/dbraw/zinc/93/44/80/999934480.db2.gz GGCKZNMRVMHZGV-UHFFFAOYSA-N 1 3 374.573 2.924 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746397530 999985817 /nfs/dbraw/zinc/98/58/17/999985817.db2.gz MTHJHGYMLRSTPV-UXHICEINSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746397530 999985819 /nfs/dbraw/zinc/98/58/19/999985819.db2.gz MTHJHGYMLRSTPV-UXHICEINSA-N 1 3 374.598 2.942 20 0 FFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168832637 1000000574 /nfs/dbraw/zinc/00/05/74/1000000574.db2.gz FQLWXFAEGOYOSY-FJIDUMEYSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC1)C2 ZINC001169140010 1000022944 /nfs/dbraw/zinc/02/29/44/1000022944.db2.gz PNURJGQKNNKLKX-NMLBUPMWSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC1)C2 ZINC001169140010 1000022946 /nfs/dbraw/zinc/02/29/46/1000022946.db2.gz PNURJGQKNNKLKX-NMLBUPMWSA-N 1 3 353.510 2.750 20 0 FFADHO Cc1cc(=O)oc2cc(NC(=O)CCN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc12 ZINC001169110068 1000025489 /nfs/dbraw/zinc/02/54/89/1000025489.db2.gz KFAXSTZNNAELBJ-OSYLJGHBSA-N 1 3 369.465 2.645 20 0 FFADHO Cc1cc(=O)oc2cc(NC(=O)CCN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc12 ZINC001169110068 1000025491 /nfs/dbraw/zinc/02/54/91/1000025491.db2.gz KFAXSTZNNAELBJ-OSYLJGHBSA-N 1 3 369.465 2.645 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CO1 ZINC001169369331 1000042123 /nfs/dbraw/zinc/04/21/23/1000042123.db2.gz WBSVPPBCUVLCRX-NEWSRXKRSA-N 1 3 350.503 2.507 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CO1 ZINC001169369331 1000042124 /nfs/dbraw/zinc/04/21/24/1000042124.db2.gz WBSVPPBCUVLCRX-NEWSRXKRSA-N 1 3 350.503 2.507 20 0 FFADHO CN1CCN(CCCOc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000846053086 1000198150 /nfs/dbraw/zinc/19/81/50/1000198150.db2.gz VFBDIHTVRZZIEZ-UHFFFAOYSA-N 1 3 372.557 2.742 20 0 FFADHO CCN1C[C@H](CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)OC1=O ZINC000846920996 1000478304 /nfs/dbraw/zinc/47/83/04/1000478304.db2.gz MZXMJWMQYJHTLF-IBGZPJMESA-N 1 3 357.498 2.815 20 0 FFADHO COc1ccc(Cl)c2c1C[C@@H](N1CCN(CCCC[NH3+])CC1)CC2 ZINC001171304218 1000895286 /nfs/dbraw/zinc/89/52/86/1000895286.db2.gz BBWNKCRTYPPRAD-HNNXBMFYSA-N 1 3 351.922 2.562 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)C1CCC1 ZINC001091741101 1001187750 /nfs/dbraw/zinc/18/77/50/1001187750.db2.gz ZZRVWYIKEWAJLF-NQIIRXRSSA-N 1 3 359.558 2.831 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)C1CCC1 ZINC001091741101 1001187755 /nfs/dbraw/zinc/18/77/55/1001187755.db2.gz ZZRVWYIKEWAJLF-NQIIRXRSSA-N 1 3 359.558 2.831 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC001149010563 1001245223 /nfs/dbraw/zinc/24/52/23/1001245223.db2.gz KOWWLEUNACWPFA-ZKTXZKFHSA-N 1 3 370.541 2.574 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001149010563 1001245225 /nfs/dbraw/zinc/24/52/25/1001245225.db2.gz KOWWLEUNACWPFA-ZKTXZKFHSA-N 1 3 370.541 2.574 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2ncc(C)s2)C1 ZINC001112557813 1001468437 /nfs/dbraw/zinc/46/84/37/1001468437.db2.gz ZQAAXELDESTPII-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2ncc(C)s2)C1 ZINC001112557813 1001468441 /nfs/dbraw/zinc/46/84/41/1001468441.db2.gz ZQAAXELDESTPII-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2nccs2)C1 ZINC001112566189 1001490113 /nfs/dbraw/zinc/49/01/13/1001490113.db2.gz OWEGQOJHWIXWSX-LPHOPBHVSA-N 1 3 364.559 2.593 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001112568025 1001499670 /nfs/dbraw/zinc/49/96/70/1001499670.db2.gz TTZHJFOGZMOAHE-WMZOPIPTSA-N 1 3 357.489 2.592 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001112586423 1001538206 /nfs/dbraw/zinc/53/82/06/1001538206.db2.gz YGNNGDRATLVPOO-YXPHOQLISA-N 1 3 362.345 2.864 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000746720523 1001739762 /nfs/dbraw/zinc/73/97/62/1001739762.db2.gz UXXFNKVCZNGNEE-UHFFFAOYSA-N 1 3 361.534 2.682 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000746720523 1001739765 /nfs/dbraw/zinc/73/97/65/1001739765.db2.gz UXXFNKVCZNGNEE-UHFFFAOYSA-N 1 3 361.534 2.682 20 0 FFADHO CCO[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087071361 1001751679 /nfs/dbraw/zinc/75/16/79/1001751679.db2.gz LRELAPPMZTVQQQ-RTBURBONSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091782771 1001908663 /nfs/dbraw/zinc/90/86/63/1001908663.db2.gz FDKMWZHWPJDQPH-SJBKTWHCSA-N 1 3 357.542 2.740 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091782771 1001908669 /nfs/dbraw/zinc/90/86/69/1001908669.db2.gz FDKMWZHWPJDQPH-SJBKTWHCSA-N 1 3 357.542 2.740 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001183361997 1002239005 /nfs/dbraw/zinc/23/90/05/1002239005.db2.gz CCSACPUQDPBKML-NJDAHSKKSA-N 1 3 357.542 2.943 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001183361997 1002239013 /nfs/dbraw/zinc/23/90/13/1002239013.db2.gz CCSACPUQDPBKML-NJDAHSKKSA-N 1 3 357.542 2.943 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cc1C ZINC001092013000 1002284957 /nfs/dbraw/zinc/28/49/57/1002284957.db2.gz GBRJWHRKSAORMS-LXBDKUERSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cc1C ZINC001092013000 1002284966 /nfs/dbraw/zinc/28/49/66/1002284966.db2.gz GBRJWHRKSAORMS-LXBDKUERSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092050002 1002319326 /nfs/dbraw/zinc/31/93/26/1002319326.db2.gz MTBPOQBIPAUGHY-NQIIRXRSSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092050002 1002319338 /nfs/dbraw/zinc/31/93/38/1002319338.db2.gz MTBPOQBIPAUGHY-NQIIRXRSSA-N 1 3 352.482 2.550 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1 ZINC001092050308 1002322090 /nfs/dbraw/zinc/32/20/90/1002322090.db2.gz QMZLWISMOLZBNK-KNQAVFIVSA-N 1 3 366.509 2.538 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1 ZINC001092050308 1002322105 /nfs/dbraw/zinc/32/21/05/1002322105.db2.gz QMZLWISMOLZBNK-KNQAVFIVSA-N 1 3 366.509 2.538 20 0 FFADHO CCCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1 ZINC001092053014 1002329998 /nfs/dbraw/zinc/32/99/98/1002329998.db2.gz WAGPLPSDIHSNTF-KNQAVFIVSA-N 1 3 366.509 2.885 20 0 FFADHO CCCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1 ZINC001092053014 1002330007 /nfs/dbraw/zinc/33/00/07/1002330007.db2.gz WAGPLPSDIHSNTF-KNQAVFIVSA-N 1 3 366.509 2.885 20 0 FFADHO Fc1cc(F)c2c(c1)C[C@H](NC1CC[NH+](C[C@@H]3CCCO3)CC1)CO2 ZINC001184277641 1002559185 /nfs/dbraw/zinc/55/91/85/1002559185.db2.gz LCQPHKDYFYUGLC-IRXDYDNUSA-N 1 3 352.425 2.501 20 0 FFADHO N=c1cc(C[NH3+])ccn1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184405138 1002595092 /nfs/dbraw/zinc/59/50/92/1002595092.db2.gz RMDNBUCHALPDCX-INIZCTEOSA-N 1 3 358.873 2.632 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cnn(-c2ccccc2)c1 ZINC000773069016 1002790166 /nfs/dbraw/zinc/79/01/66/1002790166.db2.gz MJUBPIARYKGPFI-ORYQWCPZSA-N 1 3 354.498 2.901 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001086608891 1003169290 /nfs/dbraw/zinc/16/92/90/1003169290.db2.gz GAUIJAQGZKVOMQ-UEXGIBASSA-N 1 3 361.505 2.803 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001086608891 1003169296 /nfs/dbraw/zinc/16/92/96/1003169296.db2.gz GAUIJAQGZKVOMQ-UEXGIBASSA-N 1 3 361.505 2.803 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1C ZINC001092658248 1003364038 /nfs/dbraw/zinc/36/40/38/1003364038.db2.gz MYJLAHPHHQUFNE-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1C ZINC001092658248 1003364045 /nfs/dbraw/zinc/36/40/45/1003364045.db2.gz MYJLAHPHHQUFNE-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCC2CCCCCC2)C[C@H]1O)[NH+](CC)CC ZINC001196133553 1003674429 /nfs/dbraw/zinc/67/44/29/1003674429.db2.gz WWGHHFXKOFYZMQ-HSALFYBXSA-N 1 3 367.578 2.629 20 0 FFADHO COc1ccc2c(c1)CCN(C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001192956006 1004326975 /nfs/dbraw/zinc/32/69/75/1004326975.db2.gz MXZRBEZHDNPMPK-HSZRJFAPSA-N 1 3 366.505 2.733 20 0 FFADHO COc1ccc2c(c1)CCN(C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001192956006 1004326983 /nfs/dbraw/zinc/32/69/83/1004326983.db2.gz MXZRBEZHDNPMPK-HSZRJFAPSA-N 1 3 366.505 2.733 20 0 FFADHO COCC[C@H](CNC1CC[NH+](CC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001199143094 1004841027 /nfs/dbraw/zinc/84/10/27/1004841027.db2.gz CFDRBDLAAOUZJA-QGZVFWFLSA-N 1 3 357.539 2.626 20 0 FFADHO COCC[C@H](C[NH2+]C1CCN(CC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001199143094 1004841030 /nfs/dbraw/zinc/84/10/30/1004841030.db2.gz CFDRBDLAAOUZJA-QGZVFWFLSA-N 1 3 357.539 2.626 20 0 FFADHO C[N@H+](CCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1O)C1CCCCC1 ZINC001194998172 1004868270 /nfs/dbraw/zinc/86/82/70/1004868270.db2.gz ZFQSNMSAQUEZHI-RTBURBONSA-N 1 3 367.578 2.629 20 0 FFADHO C[N@@H+](CCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1O)C1CCCCC1 ZINC001194998172 1004868274 /nfs/dbraw/zinc/86/82/74/1004868274.db2.gz ZFQSNMSAQUEZHI-RTBURBONSA-N 1 3 367.578 2.629 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001095668708 1016955795 /nfs/dbraw/zinc/95/57/95/1016955795.db2.gz UGCRRJOYPYODGK-VSZNYVQBSA-N 1 3 369.500 2.874 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001095668708 1016955805 /nfs/dbraw/zinc/95/58/05/1016955805.db2.gz UGCRRJOYPYODGK-VSZNYVQBSA-N 1 3 369.500 2.874 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC001488535184 1005360363 /nfs/dbraw/zinc/36/03/63/1005360363.db2.gz YLVKVZVRRDMBNO-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1CCC[NH2+]C[C@H]1CCOC1 ZINC001489065828 1005403275 /nfs/dbraw/zinc/40/32/75/1005403275.db2.gz YTQBLQASRDPCTP-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001489305098 1005454588 /nfs/dbraw/zinc/45/45/88/1005454588.db2.gz MBCFLJRPURDKSE-XLIONFOSSA-N 1 3 360.546 2.564 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001489305098 1005454590 /nfs/dbraw/zinc/45/45/90/1005454590.db2.gz MBCFLJRPURDKSE-XLIONFOSSA-N 1 3 360.546 2.564 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001110616333 1005763978 /nfs/dbraw/zinc/76/39/78/1005763978.db2.gz CJDVTCHMODZOJM-HCXYKTFWSA-N 1 3 365.537 2.968 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001110616333 1005763980 /nfs/dbraw/zinc/76/39/80/1005763980.db2.gz CJDVTCHMODZOJM-HCXYKTFWSA-N 1 3 365.537 2.968 20 0 FFADHO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000850563678 1005822604 /nfs/dbraw/zinc/82/26/04/1005822604.db2.gz ZUICUNNHNZLUDM-CEWLAPEOSA-N 1 3 370.541 2.777 20 0 FFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC001202486035 1005996801 /nfs/dbraw/zinc/99/68/01/1005996801.db2.gz BPXBGGBSYMSDGL-DLBZAZTESA-N 1 3 350.528 2.840 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)cc1C ZINC001097086490 1017016603 /nfs/dbraw/zinc/01/66/03/1017016603.db2.gz ZNORPXYXKRPGST-YSFYHYPLSA-N 1 3 367.537 2.867 20 0 FFADHO CN(C(=O)C[C@H]1NCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865658 1006211234 /nfs/dbraw/zinc/21/12/34/1006211234.db2.gz KWZSNVCTWRDEMX-HXUWFJFHSA-N 1 3 353.466 2.824 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C3OCCO3)CC2)CC1 ZINC000130081520 1006502609 /nfs/dbraw/zinc/50/26/09/1006502609.db2.gz JGMUDLQMUWFNDB-UHFFFAOYSA-N 1 3 373.541 2.804 20 0 FFADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001273566306 1006657667 /nfs/dbraw/zinc/65/76/67/1006657667.db2.gz QKLMLYDYFIFQID-ZCNNSNEGSA-N 1 3 363.521 2.860 20 0 FFADHO CC[C@H](F)CN(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001273566306 1006657670 /nfs/dbraw/zinc/65/76/70/1006657670.db2.gz QKLMLYDYFIFQID-ZCNNSNEGSA-N 1 3 363.521 2.860 20 0 FFADHO Cc1cc([C@@H](C)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000883343775 1006759540 /nfs/dbraw/zinc/75/95/40/1006759540.db2.gz ZCWJEPJICOLBQB-GOSISDBHSA-N 1 3 356.514 2.796 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000775204114 1006777065 /nfs/dbraw/zinc/77/70/65/1006777065.db2.gz NOKOVFVATJDLJE-UHFFFAOYSA-N 1 3 372.557 2.677 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC[N@@H+]1C ZINC001135272114 1006818918 /nfs/dbraw/zinc/81/89/18/1006818918.db2.gz HMQGGNYPSDSRSP-XUVXKRRUSA-N 1 3 359.514 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC[N@H+]1C ZINC001135272114 1006818929 /nfs/dbraw/zinc/81/89/29/1006818929.db2.gz HMQGGNYPSDSRSP-XUVXKRRUSA-N 1 3 359.514 2.679 20 0 FFADHO Cc1cccc2ncc(CN3CCC(COCC[NH+]4CCCC4)CC3)n21 ZINC001137190884 1006850042 /nfs/dbraw/zinc/85/00/42/1006850042.db2.gz HXQITPKOZBKYEW-UHFFFAOYSA-N 1 3 356.514 2.967 20 0 FFADHO C[NH2+]CCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000884178493 1007291315 /nfs/dbraw/zinc/29/13/15/1007291315.db2.gz MUWXTMIJCLKGSN-SFHVURJKSA-N 1 3 373.522 2.913 20 0 FFADHO Cn1nccc1CN1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001206337374 1032236504 /nfs/dbraw/zinc/23/65/04/1032236504.db2.gz IRXQYKXRDXJSGY-KRWDZBQOSA-N 1 3 360.527 2.737 20 0 FFADHO Cn1nccc1CN1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001206337374 1032236520 /nfs/dbraw/zinc/23/65/20/1032236520.db2.gz IRXQYKXRDXJSGY-KRWDZBQOSA-N 1 3 360.527 2.737 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)ccc1OC ZINC000775386259 1007637503 /nfs/dbraw/zinc/63/75/03/1007637503.db2.gz PGIFJHSGTDGVBL-MSOLQXFVSA-N 1 3 363.546 2.908 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902523 1007804257 /nfs/dbraw/zinc/80/42/57/1007804257.db2.gz SIOMJSOUBZOQIU-ZIPUMODLSA-N 1 3 370.493 2.641 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCNC[C@H]1C ZINC000817970134 1007835717 /nfs/dbraw/zinc/83/57/17/1007835717.db2.gz MGQQWTOTGHHIQJ-GPMSIDNRSA-N 1 3 357.498 2.819 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccccc3F)cc2)CC1 ZINC000818956753 1007992989 /nfs/dbraw/zinc/99/29/89/1007992989.db2.gz ONHFYQBKQGNLEM-QFIPXVFZSA-N 1 3 371.500 2.786 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=S)NC3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000819029453 1008026978 /nfs/dbraw/zinc/02/69/78/1008026978.db2.gz LSHZEWSCNJBTBO-AZUAARDMSA-N 1 3 372.582 2.552 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=S)NC3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000819029453 1008026984 /nfs/dbraw/zinc/02/69/84/1008026984.db2.gz LSHZEWSCNJBTBO-AZUAARDMSA-N 1 3 372.582 2.552 20 0 FFADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000820823714 1008376398 /nfs/dbraw/zinc/37/63/98/1008376398.db2.gz OPQRLVKKHCKTBN-LVUFRCMMSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000820823714 1008376401 /nfs/dbraw/zinc/37/64/01/1008376401.db2.gz OPQRLVKKHCKTBN-LVUFRCMMSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)CC(=O)N2C ZINC001177657509 1008710796 /nfs/dbraw/zinc/71/07/96/1008710796.db2.gz OGIYDSMFOBITHN-MRXNPFEDSA-N 1 3 367.493 2.997 20 0 FFADHO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)CC2 ZINC000886520618 1008714085 /nfs/dbraw/zinc/71/40/85/1008714085.db2.gz INQPNHXVRVKSPD-HAGHYFMRSA-N 1 3 351.498 2.544 20 0 FFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC001178170632 1008910807 /nfs/dbraw/zinc/91/08/07/1008910807.db2.gz LUFUPVPDUJVWPW-IAGOWNOFSA-N 1 3 353.304 2.917 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001178172121 1008911151 /nfs/dbraw/zinc/91/11/51/1008911151.db2.gz XJOWDOVPWHDWIB-HOTGVXAUSA-N 1 3 358.404 2.895 20 0 FFADHO Cc1csc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001178518182 1009015759 /nfs/dbraw/zinc/01/57/59/1009015759.db2.gz JKTPQUVCMRABPS-HZPDHXFCSA-N 1 3 352.548 2.558 20 0 FFADHO Cc1csc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001178518182 1009015773 /nfs/dbraw/zinc/01/57/73/1009015773.db2.gz JKTPQUVCMRABPS-HZPDHXFCSA-N 1 3 352.548 2.558 20 0 FFADHO c1cc(OCCN2CCOCC2)ccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001179314610 1009317010 /nfs/dbraw/zinc/31/70/10/1009317010.db2.gz CUQPVAXHICIOAL-NRFANRHFSA-N 1 3 373.541 2.504 20 0 FFADHO c1cc(OCCN2CCOCC2)ccc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001179314610 1009317027 /nfs/dbraw/zinc/31/70/27/1009317027.db2.gz CUQPVAXHICIOAL-NRFANRHFSA-N 1 3 373.541 2.504 20 0 FFADHO C[C@@H](C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)N1CCCC1 ZINC001180583435 1009760527 /nfs/dbraw/zinc/76/05/27/1009760527.db2.gz YOQROLHETFZDSG-KRWDZBQOSA-N 1 3 368.525 2.775 20 0 FFADHO C[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001093136989 1009981591 /nfs/dbraw/zinc/98/15/91/1009981591.db2.gz HBDGYIRRNZSMKW-CHWSQXEVSA-N 1 3 371.312 2.764 20 0 FFADHO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001093136989 1009981600 /nfs/dbraw/zinc/98/16/00/1009981600.db2.gz HBDGYIRRNZSMKW-CHWSQXEVSA-N 1 3 371.312 2.764 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC001093226292 1010171114 /nfs/dbraw/zinc/17/11/14/1010171114.db2.gz ZVYUHUFDDYUMMU-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC001093226292 1010171122 /nfs/dbraw/zinc/17/11/22/1010171122.db2.gz ZVYUHUFDDYUMMU-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110142985 1010212275 /nfs/dbraw/zinc/21/22/75/1010212275.db2.gz TXHAZGBATFGXDH-HKBOAZHASA-N 1 3 373.541 2.900 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110142985 1010212286 /nfs/dbraw/zinc/21/22/86/1010212286.db2.gz TXHAZGBATFGXDH-HKBOAZHASA-N 1 3 373.541 2.900 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CCC1 ZINC000119587309 1010286918 /nfs/dbraw/zinc/28/69/18/1010286918.db2.gz FBIVNJRPUFRPKS-QGZVFWFLSA-N 1 3 357.498 2.575 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]Cc1ccns1 ZINC001093770563 1010542692 /nfs/dbraw/zinc/54/26/92/1010542692.db2.gz XBYLGEYOZDAFDY-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001093824292 1010594923 /nfs/dbraw/zinc/59/49/23/1010594923.db2.gz OJDQWAMNWLAARI-AHRSYUTCSA-N 1 3 361.574 2.981 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001093824061 1010596237 /nfs/dbraw/zinc/59/62/37/1010596237.db2.gz FPFSMLPKWNVDRQ-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO Cc1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)s1 ZINC001093839458 1010610634 /nfs/dbraw/zinc/61/06/34/1010610634.db2.gz PAIRBZQJSVVTRK-QBIMZIAESA-N 1 3 366.575 2.530 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3cc4ccccc4o3)[C@H](C)C2)C1 ZINC001094042569 1010804321 /nfs/dbraw/zinc/80/43/21/1010804321.db2.gz XCTRVEGCBFXBQF-ZHALLVOQSA-N 1 3 369.509 2.959 20 0 FFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001094042779 1010804805 /nfs/dbraw/zinc/80/48/05/1010804805.db2.gz ZLTFEJZAMOSAFJ-DBXWQHBBSA-N 1 3 357.542 2.775 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CCC(F)(F)CC2)[C@H](C)C1)N(C)C ZINC001094049237 1010808444 /nfs/dbraw/zinc/80/84/44/1010808444.db2.gz NNFPBTTVQUVUEH-OIISXLGYSA-N 1 3 359.505 2.836 20 0 FFADHO CCCOc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001094075186 1010834831 /nfs/dbraw/zinc/83/48/31/1010834831.db2.gz ZNBCTIVJDLJABO-SJLPKXTDSA-N 1 3 370.497 2.625 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C)c1nc2ccccc2o1 ZINC001094221062 1010942414 /nfs/dbraw/zinc/94/24/14/1010942414.db2.gz MZLHMLVCOWTJHF-BRWVUGGUSA-N 1 3 370.497 2.669 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C)c1c(F)cccc1F ZINC001094221206 1010942508 /nfs/dbraw/zinc/94/25/08/1010942508.db2.gz XIPLJEQXWSIRKC-OWCLPIDISA-N 1 3 365.468 2.806 20 0 FFADHO Cc1conc1CNC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001094241447 1010984006 /nfs/dbraw/zinc/98/40/06/1010984006.db2.gz DXGIVCPOJGIDOY-CRAIPNDOSA-N 1 3 370.497 2.543 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC001094241681 1010985114 /nfs/dbraw/zinc/98/51/14/1010985114.db2.gz WWGIJLLXWHOGJK-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(CCF)CC2)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001094434170 1011118987 /nfs/dbraw/zinc/11/89/87/1011118987.db2.gz VGGMRALCBHLRGE-NLWGTHIKSA-N 1 3 351.510 2.724 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(CCF)CC2)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001094434170 1011118991 /nfs/dbraw/zinc/11/89/91/1011118991.db2.gz VGGMRALCBHLRGE-NLWGTHIKSA-N 1 3 351.510 2.724 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCOC2CCC2)CCCC1 ZINC001110862179 1011264164 /nfs/dbraw/zinc/26/41/64/1011264164.db2.gz AZYJJBHUQXPRRP-QRQLOZEOSA-N 1 3 363.546 2.542 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111498398 1011277922 /nfs/dbraw/zinc/27/79/22/1011277922.db2.gz SNFSBRJHLMFTJI-AQNXPRMDSA-N 1 3 365.562 2.791 20 0 FFADHO COc1cnc(OC2CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)nc1 ZINC001171640640 1011423561 /nfs/dbraw/zinc/42/35/61/1011423561.db2.gz IDPJGPYZFDXHNI-UHFFFAOYSA-N 1 3 362.518 2.980 20 0 FFADHO COc1cnc(OC2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)nc1 ZINC001171640640 1011423563 /nfs/dbraw/zinc/42/35/63/1011423563.db2.gz IDPJGPYZFDXHNI-UHFFFAOYSA-N 1 3 362.518 2.980 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001274419433 1011432163 /nfs/dbraw/zinc/43/21/63/1011432163.db2.gz SMLVRJQPKFUADY-HOTGVXAUSA-N 1 3 361.452 2.880 20 0 FFADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171694993 1011448529 /nfs/dbraw/zinc/44/85/29/1011448529.db2.gz RYDMGABEFYMDBR-DOTOQJQBSA-N 1 3 361.486 2.619 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H](Oc3cc(C(F)(F)F)ncn3)C1)C2 ZINC001172132635 1011635679 /nfs/dbraw/zinc/63/56/79/1011635679.db2.gz MEAFBHLLPAORDL-XGUBFFRZSA-N 1 3 370.419 2.964 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H](Oc3cc(C(F)(F)F)ncn3)C1)C2 ZINC001172132635 1011635691 /nfs/dbraw/zinc/63/56/91/1011635691.db2.gz MEAFBHLLPAORDL-XGUBFFRZSA-N 1 3 370.419 2.964 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]31)C2 ZINC001172117422 1011651378 /nfs/dbraw/zinc/65/13/78/1011651378.db2.gz JLWPXUICBMMVFR-GFJXEVPCSA-N 1 3 371.525 2.845 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]31)C2 ZINC001172117422 1011651386 /nfs/dbraw/zinc/65/13/86/1011651386.db2.gz JLWPXUICBMMVFR-GFJXEVPCSA-N 1 3 371.525 2.845 20 0 FFADHO O=C1CC[C@H]2C[C@H]([NH+]3CCC4(CCN(Cc5ccoc5)C4)CC3)CCN12 ZINC001172179876 1011686174 /nfs/dbraw/zinc/68/61/74/1011686174.db2.gz VTMUYXJBSTYQKZ-MOPGFXCFSA-N 1 3 357.498 2.721 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])N[C@@H]1CSc2ccccc2C1 ZINC001172198459 1011706183 /nfs/dbraw/zinc/70/61/83/1011706183.db2.gz SWAKBYQUEHQBSQ-GOEBONIOSA-N 1 3 351.516 2.883 20 0 FFADHO COCCCN1CCC([NH2+]Cc2ccccc2OC2CCOCC2)CC1 ZINC001172247532 1011718686 /nfs/dbraw/zinc/71/86/86/1011718686.db2.gz LVKVFYPURBERFP-UHFFFAOYSA-N 1 3 362.514 2.835 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000646112333 1011753273 /nfs/dbraw/zinc/75/32/73/1011753273.db2.gz NMPMCFWAZLJRTP-INIZCTEOSA-N 1 3 367.493 2.593 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000646128416 1011761522 /nfs/dbraw/zinc/76/15/22/1011761522.db2.gz BLQNLGUXFBKLFS-JRGCBEDISA-N 1 3 355.526 2.745 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980343 1032577835 /nfs/dbraw/zinc/57/78/35/1032577835.db2.gz HNDLHUBWEBTSGA-NVXWUHKLSA-N 1 3 364.559 2.654 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]2C1 ZINC001172556742 1011865219 /nfs/dbraw/zinc/86/52/19/1011865219.db2.gz BZDHBTUTHGNLSA-YUMYIRISSA-N 1 3 358.526 2.992 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]2C1 ZINC001172556742 1011865234 /nfs/dbraw/zinc/86/52/34/1011865234.db2.gz BZDHBTUTHGNLSA-YUMYIRISSA-N 1 3 358.526 2.992 20 0 FFADHO COC(=O)N1CCC(N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172741765 1011978537 /nfs/dbraw/zinc/97/85/37/1011978537.db2.gz NYZQRXXXJXAKIK-MOPGFXCFSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC(N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172741765 1011978545 /nfs/dbraw/zinc/97/85/45/1011978545.db2.gz NYZQRXXXJXAKIK-MOPGFXCFSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172741765 1011978551 /nfs/dbraw/zinc/97/85/51/1011978551.db2.gz NYZQRXXXJXAKIK-MOPGFXCFSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001172741765 1011978558 /nfs/dbraw/zinc/97/85/58/1011978558.db2.gz NYZQRXXXJXAKIK-MOPGFXCFSA-N 1 3 357.498 2.671 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN2Cc2c[nH]c3cc(Cl)ccc23)C1=O ZINC001275163079 1012021738 /nfs/dbraw/zinc/02/17/38/1012021738.db2.gz YJGBVNHBOKZBBP-HXUWFJFHSA-N 1 3 374.916 2.950 20 0 FFADHO CCCN1C[C@@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)N4C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001172815407 1012036879 /nfs/dbraw/zinc/03/68/79/1012036879.db2.gz KNRACVAKLGMKGH-ZWRCUJBNSA-N 1 3 361.530 2.967 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3csc4ccccc34)C2)C1=O ZINC001275241281 1012128621 /nfs/dbraw/zinc/12/86/21/1012128621.db2.gz DBDRDXPXFZIRRE-FQEVSTJZSA-N 1 3 357.523 2.887 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3csc4ccccc34)C2)C1=O ZINC001275241281 1012128630 /nfs/dbraw/zinc/12/86/30/1012128630.db2.gz DBDRDXPXFZIRRE-FQEVSTJZSA-N 1 3 357.523 2.887 20 0 FFADHO CC[NH+]1CCC(NC[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)CC1 ZINC000647350845 1012447090 /nfs/dbraw/zinc/44/70/90/1012447090.db2.gz BDHFGYWMXXMJJC-HNNXBMFYSA-N 1 3 371.447 2.684 20 0 FFADHO CC[N@@H+]1CC[C@@H](N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001173359278 1012489438 /nfs/dbraw/zinc/48/94/38/1012489438.db2.gz DMLGAEAMJRHCHR-MSOLQXFVSA-N 1 3 363.571 2.898 20 0 FFADHO CC[N@H+]1CC[C@@H](N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001173359278 1012489446 /nfs/dbraw/zinc/48/94/46/1012489446.db2.gz DMLGAEAMJRHCHR-MSOLQXFVSA-N 1 3 363.571 2.898 20 0 FFADHO COc1ccc(C(=O)N2CCC(N3CCC([NH3+])(CC4CC4)CC3)CC2)cc1 ZINC001173404072 1012532314 /nfs/dbraw/zinc/53/23/14/1012532314.db2.gz LECUDAQNJULFNO-UHFFFAOYSA-N 1 3 371.525 2.893 20 0 FFADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000870974501 1012660063 /nfs/dbraw/zinc/66/00/63/1012660063.db2.gz MMDKUNDUYJMWDQ-IZBJGVDFSA-N 1 3 359.489 2.685 20 0 FFADHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2ccccc2o1 ZINC001095240910 1012822464 /nfs/dbraw/zinc/82/24/64/1012822464.db2.gz IVKPVBYTIQQDKL-BVBHFADKSA-N 1 3 353.466 2.749 20 0 FFADHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2ccccc2o1 ZINC001095240910 1012822489 /nfs/dbraw/zinc/82/24/89/1012822489.db2.gz IVKPVBYTIQQDKL-BVBHFADKSA-N 1 3 353.466 2.749 20 0 FFADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc2ccccc2o1 ZINC001095240910 1012822503 /nfs/dbraw/zinc/82/25/03/1012822503.db2.gz IVKPVBYTIQQDKL-BVBHFADKSA-N 1 3 353.466 2.749 20 0 FFADHO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc2ccccc2o1 ZINC001095240910 1012822524 /nfs/dbraw/zinc/82/25/24/1012822524.db2.gz IVKPVBYTIQQDKL-BVBHFADKSA-N 1 3 353.466 2.749 20 0 FFADHO COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001097343720 1017376080 /nfs/dbraw/zinc/37/60/80/1017376080.db2.gz XXZBTGITRSFFOL-ZRNYENFQSA-N 1 3 371.525 2.709 20 0 FFADHO COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001097343720 1017376087 /nfs/dbraw/zinc/37/60/87/1017376087.db2.gz XXZBTGITRSFFOL-ZRNYENFQSA-N 1 3 371.525 2.709 20 0 FFADHO C[C@H](NCc1ccc(N2CCOCC2)nc1)c1cccc(C[NH+](C)C)c1 ZINC000924618558 1017379186 /nfs/dbraw/zinc/37/91/86/1017379186.db2.gz NEXHTUHPPMXXCZ-KRWDZBQOSA-N 1 3 354.498 2.831 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000925938136 1017912577 /nfs/dbraw/zinc/91/25/77/1017912577.db2.gz LWQFTYRDBHLTPA-CHWSQXEVSA-N 1 3 374.407 2.500 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]([NH2+]C(C)C)C3)c2)CC1 ZINC000681183020 1018401113 /nfs/dbraw/zinc/40/11/13/1018401113.db2.gz RBWCLDYEQNNXOC-IBGZPJMESA-N 1 3 373.545 2.823 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CCCCO2)cc1 ZINC001098043809 1019133038 /nfs/dbraw/zinc/13/30/38/1019133038.db2.gz WZQHMFCLUONWDD-MHTWAQMVSA-N 1 3 371.525 2.652 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3cccnc3C)CC2)CC[N@@H+]1C ZINC001045440189 1019967902 /nfs/dbraw/zinc/96/79/02/1019967902.db2.gz IQDUBOTVKGDSCZ-RBUKOAKNSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3cccnc3C)CC2)CC[N@H+]1C ZINC001045440189 1019967913 /nfs/dbraw/zinc/96/79/13/1019967913.db2.gz IQDUBOTVKGDSCZ-RBUKOAKNSA-N 1 3 358.530 2.591 20 0 FFADHO COc1cccc(CN2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001045444928 1019972412 /nfs/dbraw/zinc/97/24/12/1019972412.db2.gz KLOMDJRBAWZISL-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO COc1cccc(CN2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001045444928 1019972415 /nfs/dbraw/zinc/97/24/15/1019972415.db2.gz KLOMDJRBAWZISL-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO [NH3+]CCCC[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)cc1F ZINC000902370496 1020138190 /nfs/dbraw/zinc/13/81/90/1020138190.db2.gz NXUAXBCXWGYEAT-YJBOKZPZSA-N 1 3 370.440 2.647 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(CO[C@H]2CC[C@@H]3[NH2+]CCO[C@H]32)O1 ZINC001217816906 1032880284 /nfs/dbraw/zinc/88/02/84/1032880284.db2.gz RMWNITLLJGBUMC-KEZQHZCBSA-N 1 3 374.525 2.592 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001096354624 1020206050 /nfs/dbraw/zinc/20/60/50/1020206050.db2.gz MJCXYBQCUZQTCN-AABGKKOBSA-N 1 3 353.510 2.566 20 0 FFADHO Cc1nc(C)c(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)[nH]1 ZINC000931092538 1020315885 /nfs/dbraw/zinc/31/58/85/1020315885.db2.gz CNDMDCAQKIELFA-LJQANCHMSA-N 1 3 357.502 2.915 20 0 FFADHO Cc1nc(C)c(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)[nH]1 ZINC000931092538 1020315892 /nfs/dbraw/zinc/31/58/92/1020315892.db2.gz CNDMDCAQKIELFA-LJQANCHMSA-N 1 3 357.502 2.915 20 0 FFADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(-n2ccnc2)c1 ZINC000902881381 1020544695 /nfs/dbraw/zinc/54/46/95/1020544695.db2.gz PFRRDCGJDHYRCN-ZLGUVYLKSA-N 1 3 354.498 2.901 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@@H+]1C ZINC001046329464 1020591753 /nfs/dbraw/zinc/59/17/53/1020591753.db2.gz PTYQSOBLKVBXIF-CNDZOEFASA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@H+]1C ZINC001046329464 1020591759 /nfs/dbraw/zinc/59/17/59/1020591759.db2.gz PTYQSOBLKVBXIF-CNDZOEFASA-N 1 3 355.526 2.985 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCCOC2)c1 ZINC001098460129 1020926550 /nfs/dbraw/zinc/92/65/50/1020926550.db2.gz ZCPLVEJLARYWSC-KCLUMXDGSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCCOC2)c1 ZINC001098460129 1020926555 /nfs/dbraw/zinc/92/65/55/1020926555.db2.gz ZCPLVEJLARYWSC-KCLUMXDGSA-N 1 3 371.525 2.510 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)CN[C@H](c1ccncc1)C1CC1)c1ccccc1 ZINC000934698132 1021357175 /nfs/dbraw/zinc/35/71/75/1021357175.db2.gz MGFSKPBKQNCRTL-FPOVZHCZSA-N 1 3 352.482 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3cccc4cccnc43)C2)CC[N@@H+]1C ZINC001014506103 1021880291 /nfs/dbraw/zinc/88/02/91/1021880291.db2.gz DZOKJUXPAKCXQG-HSALFYBXSA-N 1 3 366.509 2.656 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3cccc4cccnc43)C2)CC[N@H+]1C ZINC001014506103 1021880300 /nfs/dbraw/zinc/88/03/00/1021880300.db2.gz DZOKJUXPAKCXQG-HSALFYBXSA-N 1 3 366.509 2.656 20 0 FFADHO Cc1ccc(-c2ccc(C[N@@H+]3CC4(CNC4)[C@@]4(CCNC4=O)C3)cc2)cc1 ZINC001222520987 1033026831 /nfs/dbraw/zinc/02/68/31/1033026831.db2.gz MEKBOZHDIZCFIN-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1ccc(-c2ccc(C[N@H+]3CC4(CNC4)[C@@]4(CCNC4=O)C3)cc2)cc1 ZINC001222520987 1033026840 /nfs/dbraw/zinc/02/68/40/1033026840.db2.gz MEKBOZHDIZCFIN-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc4c(c3)CCC4)CC2)CC1 ZINC001118372834 1022201643 /nfs/dbraw/zinc/20/16/43/1022201643.db2.gz KTCMQFIIXFZGSL-UHFFFAOYSA-N 1 3 369.553 2.988 20 0 FFADHO CC(C)Oc1ccccc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018866302 1022355880 /nfs/dbraw/zinc/35/58/80/1022355880.db2.gz YFARIBGIGGAMKN-NZSAHSFTSA-N 1 3 359.514 2.505 20 0 FFADHO CC(C)Oc1ccccc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018866302 1022355890 /nfs/dbraw/zinc/35/58/90/1022355890.db2.gz YFARIBGIGGAMKN-NZSAHSFTSA-N 1 3 359.514 2.505 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)CCC2 ZINC001111229130 1022495020 /nfs/dbraw/zinc/49/50/20/1022495020.db2.gz XYRISTSIYQATES-NJYVYQBISA-N 1 3 355.526 2.739 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)CCC2 ZINC001111229130 1022495033 /nfs/dbraw/zinc/49/50/33/1022495033.db2.gz XYRISTSIYQATES-NJYVYQBISA-N 1 3 355.526 2.739 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC3)C2)C1 ZINC001099500198 1022637285 /nfs/dbraw/zinc/63/72/85/1022637285.db2.gz OLAUYCHOTWZQTC-YYWHXJBOSA-N 1 3 365.537 2.827 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001099506494 1022645993 /nfs/dbraw/zinc/64/59/93/1022645993.db2.gz PFCOVLXQYQBPEI-WEYGHZABSA-N 1 3 364.493 2.858 20 0 FFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001122249131 1023145119 /nfs/dbraw/zinc/14/51/19/1023145119.db2.gz PUXRAHWWTVYTRF-KSZLIROESA-N 1 3 359.514 2.506 20 0 FFADHO CCCN1CCC[C@H]1C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000753114971 1023272286 /nfs/dbraw/zinc/27/22/86/1023272286.db2.gz JCDKRKJHSSZHCW-IBGZPJMESA-N 1 3 359.514 2.629 20 0 FFADHO CCCN1CCC[C@H]1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000753114971 1023272289 /nfs/dbraw/zinc/27/22/89/1023272289.db2.gz JCDKRKJHSSZHCW-IBGZPJMESA-N 1 3 359.514 2.629 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](CC[NH3+])C2)c2cccs2)CC1 ZINC001120476692 1023335382 /nfs/dbraw/zinc/33/53/82/1023335382.db2.gz WIYGWCHVKQUBHD-DLBZAZTESA-N 1 3 364.559 2.901 20 0 FFADHO Cc1cc(NC(=O)CCNC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)no1 ZINC001120514254 1023346295 /nfs/dbraw/zinc/34/62/95/1023346295.db2.gz QFKLAJXOQSQFFG-OAHLLOKOSA-N 1 3 364.877 2.900 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000829422312 1033148901 /nfs/dbraw/zinc/14/89/01/1033148901.db2.gz APQUEHJPSHQXTK-UXHICEINSA-N 1 3 356.514 2.782 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000829422312 1033148911 /nfs/dbraw/zinc/14/89/11/1033148911.db2.gz APQUEHJPSHQXTK-UXHICEINSA-N 1 3 356.514 2.782 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC000079096996 1024157182 /nfs/dbraw/zinc/15/71/82/1024157182.db2.gz FHFLGVRYSVNUDH-UHFFFAOYSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001121915838 1024165556 /nfs/dbraw/zinc/16/55/56/1024165556.db2.gz MCZDFQLSQRXMKJ-ROUUACIJSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001121915838 1024165561 /nfs/dbraw/zinc/16/55/61/1024165561.db2.gz MCZDFQLSQRXMKJ-ROUUACIJSA-N 1 3 371.525 2.895 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)C2(C(F)(F)F)CC[NH2+]CC2)N(C)C)cc1 ZINC001121975585 1024224542 /nfs/dbraw/zinc/22/45/42/1024224542.db2.gz RYUGMOKKXUJBTQ-MRXNPFEDSA-N 1 3 371.447 2.900 20 0 FFADHO Cc1ncc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1Br ZINC001218567437 1033224538 /nfs/dbraw/zinc/22/45/38/1033224538.db2.gz QOWQFTPGWIFDJQ-AWEZNQCLSA-N 1 3 357.296 2.587 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@]2(C)C1 ZINC001101396952 1024628936 /nfs/dbraw/zinc/62/89/36/1024628936.db2.gz SHHHDLHJCAWNPX-QUCCMNQESA-N 1 3 363.571 2.987 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@]2(C)C1 ZINC001101396952 1024628945 /nfs/dbraw/zinc/62/89/45/1024628945.db2.gz SHHHDLHJCAWNPX-QUCCMNQESA-N 1 3 363.571 2.987 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@]2(C)C1 ZINC001101443509 1024760068 /nfs/dbraw/zinc/76/00/68/1024760068.db2.gz IKLASYIVBBJQAK-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@@]2(C)C1 ZINC001101443509 1024760074 /nfs/dbraw/zinc/76/00/74/1024760074.db2.gz IKLASYIVBBJQAK-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C)N(C)C ZINC001102087995 1025412839 /nfs/dbraw/zinc/41/28/39/1025412839.db2.gz GRZJRESDNXYHGV-BHIYHBOVSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C)N(C)C ZINC001102087995 1025412844 /nfs/dbraw/zinc/41/28/44/1025412844.db2.gz GRZJRESDNXYHGV-BHIYHBOVSA-N 1 3 361.530 2.528 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccnc1 ZINC001218701316 1033289354 /nfs/dbraw/zinc/28/93/54/1033289354.db2.gz ICYRODIFSSJNPX-INIZCTEOSA-N 1 3 372.517 2.563 20 0 FFADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000637831509 1025590628 /nfs/dbraw/zinc/59/06/28/1025590628.db2.gz CYKDMANDZXUZPT-PMACEKPBSA-N 1 3 355.482 2.505 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)c1oc(CN)cc1C)[NH+]1CCCC1 ZINC000638050308 1025681399 /nfs/dbraw/zinc/68/13/99/1025681399.db2.gz NAVNRPCPONDQBA-KRWDZBQOSA-N 1 3 357.454 2.622 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102369860 1025822775 /nfs/dbraw/zinc/82/27/75/1025822775.db2.gz JCNZUCDUZCOLJU-ZHALLVOQSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1 ZINC001102369860 1025822795 /nfs/dbraw/zinc/82/27/95/1025822795.db2.gz JCNZUCDUZCOLJU-ZHALLVOQSA-N 1 3 361.505 2.660 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638416432 1025834267 /nfs/dbraw/zinc/83/42/67/1025834267.db2.gz BAGAZUBDWQQBGI-PZJWPPBQSA-N 1 3 365.477 2.808 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638416432 1025834282 /nfs/dbraw/zinc/83/42/82/1025834282.db2.gz BAGAZUBDWQQBGI-PZJWPPBQSA-N 1 3 365.477 2.808 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)c1ccccc1CC1CC[NH2+]CC1 ZINC000638668864 1025927259 /nfs/dbraw/zinc/92/72/59/1025927259.db2.gz RLDJSOAXWJROKQ-UHFFFAOYSA-N 1 3 365.477 2.963 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](CC)OC)C[C@H]1C ZINC001102472388 1026040754 /nfs/dbraw/zinc/04/07/54/1026040754.db2.gz ZSIWMLVKOJKVAB-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@H]1C ZINC001102472388 1026040772 /nfs/dbraw/zinc/04/07/72/1026040772.db2.gz ZSIWMLVKOJKVAB-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CN(Cc2cc(C)no2)C[C@H]1C)C(C)C ZINC001102472660 1026044586 /nfs/dbraw/zinc/04/45/86/1026044586.db2.gz ONIPHPCSQFAFFZ-SUMDDJOVSA-N 1 3 364.534 2.534 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1C ZINC001102525039 1026214013 /nfs/dbraw/zinc/21/40/13/1026214013.db2.gz IZJOXGWZDDSTTQ-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1C ZINC001102525039 1026214022 /nfs/dbraw/zinc/21/40/22/1026214022.db2.gz IZJOXGWZDDSTTQ-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO O=c1cc([C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]c(=O)[nH]1 ZINC000639713914 1026442197 /nfs/dbraw/zinc/44/21/97/1026442197.db2.gz OOQQCBUXOWVTBB-SFHVURJKSA-N 1 3 368.481 2.863 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083688 1026944217 /nfs/dbraw/zinc/94/42/17/1026944217.db2.gz DNDYSVYNRULPQO-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083688 1026944225 /nfs/dbraw/zinc/94/42/25/1026944225.db2.gz DNDYSVYNRULPQO-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C)N(C)C ZINC001103139975 1026995560 /nfs/dbraw/zinc/99/55/60/1026995560.db2.gz HGZXPVHGOYVGDH-ZTFGCOKTSA-N 1 3 351.560 2.971 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1C)N(C)C ZINC001103139975 1026995567 /nfs/dbraw/zinc/99/55/67/1026995567.db2.gz HGZXPVHGOYVGDH-ZTFGCOKTSA-N 1 3 351.560 2.971 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1C)N(C)C ZINC001103139961 1026996136 /nfs/dbraw/zinc/99/61/36/1026996136.db2.gz GFHCSPWLPQRTDJ-KBRIMQKVSA-N 1 3 366.575 2.674 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1C)N(C)C ZINC001103139961 1026996140 /nfs/dbraw/zinc/99/61/40/1026996140.db2.gz GFHCSPWLPQRTDJ-KBRIMQKVSA-N 1 3 366.575 2.674 20 0 FFADHO CN1CCN(Cc2cccc(Nc3ccc(O[C@H]4CC[NH2+]C4)cc3)c2)CC1 ZINC001159924735 1027537023 /nfs/dbraw/zinc/53/70/23/1027537023.db2.gz WYGGMAAPHBMDQP-QFIPXVFZSA-N 1 3 366.509 2.918 20 0 FFADHO CN1CCN(c2ccc(Nc3cccc(F)c3N3CC[NH2+]CC3)cc2)CC1 ZINC001160110142 1027594948 /nfs/dbraw/zinc/59/49/48/1027594948.db2.gz KXTRZPACMGYSAL-UHFFFAOYSA-N 1 3 369.488 2.731 20 0 FFADHO Fc1ccc(O[C@@H]2CC[NH2+]C2)c(NC2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001160141530 1027608447 /nfs/dbraw/zinc/60/84/47/1027608447.db2.gz DQJICNWFWURHOK-ZWKOTPCHSA-N 1 3 361.461 2.747 20 0 FFADHO CN1CCN(Cc2cccc(Nc3cccc4c3[C@H]3C[NH2+]C[C@@H]3O4)c2)CC1 ZINC001160395239 1027693500 /nfs/dbraw/zinc/69/35/00/1027693500.db2.gz PVELLRFBDKLGRH-RXVVDRJESA-N 1 3 364.493 2.625 20 0 FFADHO N[C@@H](C(=O)N1CCC(Cc2c(F)cccc2Cl)CC1)C1CC[NH2+]CC1 ZINC001160642771 1027782810 /nfs/dbraw/zinc/78/28/10/1027782810.db2.gz MRGMOWVKLBJITQ-GOSISDBHSA-N 1 3 367.896 2.587 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103677220 1027959510 /nfs/dbraw/zinc/95/95/10/1027959510.db2.gz QHTALIJZASQPDO-FVQBIDKESA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103677220 1027959512 /nfs/dbraw/zinc/95/95/12/1027959512.db2.gz QHTALIJZASQPDO-FVQBIDKESA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH+]c(NCC(=O)N2CCN(C3CCCCC3)CC2)cc2[nH]ccc21 ZINC001161059106 1027992207 /nfs/dbraw/zinc/99/22/07/1027992207.db2.gz OXBREIHGYNBGJM-UHFFFAOYSA-N 1 3 355.486 2.760 20 0 FFADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161425006 1028165350 /nfs/dbraw/zinc/16/53/50/1028165350.db2.gz QKPQOCPGIOMYEE-SJORKVTESA-N 1 3 369.431 2.698 20 0 FFADHO C[NH+]1CCC(N(C(=O)[C@@](C)(N)Cc2ccc(F)cc2)C2CCCC2)CC1 ZINC001161454599 1028184604 /nfs/dbraw/zinc/18/46/04/1028184604.db2.gz YPIUJSUTYHKICW-NRFANRHFSA-N 1 3 361.505 2.951 20 0 FFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162802055 1028660999 /nfs/dbraw/zinc/66/09/99/1028660999.db2.gz ICBGXBDTIZKUFF-UHFFFAOYSA-N 1 3 367.497 2.783 20 0 FFADHO COc1cc2ccnc(NCC3(N(C)C)CC[NH+](C)CC3)c2cc1OC ZINC001156182136 1029077790 /nfs/dbraw/zinc/07/77/90/1029077790.db2.gz OKZNJFYXWQZVCK-UHFFFAOYSA-N 1 3 358.486 2.690 20 0 FFADHO N[C@H]1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1(F)F ZINC001165129350 1029410606 /nfs/dbraw/zinc/41/06/06/1029410606.db2.gz KJNOLKLQQJHVLX-SFHVURJKSA-N 1 3 358.436 2.813 20 0 FFADHO N[C@H]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1(F)F ZINC001165129350 1029410609 /nfs/dbraw/zinc/41/06/09/1029410609.db2.gz KJNOLKLQQJHVLX-SFHVURJKSA-N 1 3 358.436 2.813 20 0 FFADHO c1ccc([C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CCN2)cc1 ZINC001165195548 1029441080 /nfs/dbraw/zinc/44/10/80/1029441080.db2.gz HVIDIXOTJHRUPM-LJQANCHMSA-N 1 3 352.482 2.707 20 0 FFADHO C[NH+](C)C1(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)CCCC1 ZINC001157388966 1029572614 /nfs/dbraw/zinc/57/26/14/1029572614.db2.gz NNCVIAQRJLOIDX-UHFFFAOYSA-N 1 3 373.541 2.612 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cccc(OC)c2Cl)CC[N@@H+]1C ZINC001158404085 1029820032 /nfs/dbraw/zinc/82/00/32/1029820032.db2.gz QBXNHCGHHPFAKH-JKSUJKDBSA-N 1 3 367.921 2.675 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cccc(OC)c2Cl)CC[N@H+]1C ZINC001158404085 1029820038 /nfs/dbraw/zinc/82/00/38/1029820038.db2.gz QBXNHCGHHPFAKH-JKSUJKDBSA-N 1 3 367.921 2.675 20 0 FFADHO CN1CCN(c2ccc(NCC3C[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC001165452906 1029986961 /nfs/dbraw/zinc/98/69/61/1029986961.db2.gz BHRFTPMAXJYFLL-UHFFFAOYSA-N 1 3 350.510 2.982 20 0 FFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112117826 1030043786 /nfs/dbraw/zinc/04/37/86/1030043786.db2.gz DRUVTGCBLYGZPT-KFWWJZLASA-N 1 3 351.457 2.598 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001112179801 1030160296 /nfs/dbraw/zinc/16/02/96/1030160296.db2.gz KXHDMFSHRNICPE-HZPDHXFCSA-N 1 3 363.468 2.887 20 0 FFADHO O=C(C1CCN(Cc2ccncc2)CC1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001142343449 1030332129 /nfs/dbraw/zinc/33/21/29/1030332129.db2.gz DQKIQIKSQJATAV-OAQYLSRUSA-N 1 3 370.541 2.771 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1 ZINC001112382153 1030710958 /nfs/dbraw/zinc/71/09/58/1030710958.db2.gz IDHFFHXQQKUYPF-YMJDHIGXSA-N 1 3 353.938 2.832 20 0 FFADHO Cc1ccc2c(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cc(=O)oc2c1 ZINC000842479446 1030754283 /nfs/dbraw/zinc/75/42/83/1030754283.db2.gz SUJNMBIMTVMRDK-MJGOQNOKSA-N 1 3 356.466 2.820 20 0 FFADHO CCCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413557 1030770439 /nfs/dbraw/zinc/77/04/39/1030770439.db2.gz UBTORAKCTBTHHK-ZJOUEHCJSA-N 1 3 367.578 2.608 20 0 FFADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccc(F)cc2)CC1 ZINC001203914153 1030976811 /nfs/dbraw/zinc/97/68/11/1030976811.db2.gz ITTKYSGVJUZWLL-WOJBJXKFSA-N 1 3 359.489 2.733 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cccnc1)CC2 ZINC001204074771 1031081328 /nfs/dbraw/zinc/08/13/28/1031081328.db2.gz SFZBERBOOVSONU-OAQYLSRUSA-N 1 3 366.509 2.980 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cccnc1)CC2 ZINC001204074771 1031081342 /nfs/dbraw/zinc/08/13/42/1031081342.db2.gz SFZBERBOOVSONU-OAQYLSRUSA-N 1 3 366.509 2.980 20 0 FFADHO CCN1CCC2(CCN(Cc3ccc(OCCC[NH+](C)C)cc3)CC2)C1=O ZINC001204271180 1031196576 /nfs/dbraw/zinc/19/65/76/1031196576.db2.gz HTSRLFOQAVULQN-UHFFFAOYSA-N 1 3 373.541 2.852 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(OC(F)(F)F)c1 ZINC001204429823 1031282473 /nfs/dbraw/zinc/28/24/73/1031282473.db2.gz FXLNULHWCKTYJV-DLBZAZTESA-N 1 3 357.420 2.795 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(OC(F)(F)F)c1 ZINC001204429823 1031282488 /nfs/dbraw/zinc/28/24/88/1031282488.db2.gz FXLNULHWCKTYJV-DLBZAZTESA-N 1 3 357.420 2.795 20 0 FFADHO C[NH2+]CCC1CCN(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 ZINC000843363578 1031356318 /nfs/dbraw/zinc/35/63/18/1031356318.db2.gz YOUXXIRGURIIQT-UHFFFAOYSA-N 1 3 357.454 2.573 20 0 FFADHO C[C@@]1([NH3+])CCN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001204782811 1031439780 /nfs/dbraw/zinc/43/97/80/1031439780.db2.gz KDBIGRXLIFHSGG-HSZRJFAPSA-N 1 3 364.537 2.932 20 0 FFADHO Cc1cccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c1C ZINC001205074142 1031506691 /nfs/dbraw/zinc/50/66/91/1031506691.db2.gz FEYHQYZSRWDVFG-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO Cc1cccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)c1C ZINC001205074142 1031506697 /nfs/dbraw/zinc/50/66/97/1031506697.db2.gz FEYHQYZSRWDVFG-UHFFFAOYSA-N 1 3 353.510 2.628 20 0 FFADHO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CN2CCC[C@@](C)([NH3+])CC2)OC(C)(C)O1 ZINC001205256840 1031633473 /nfs/dbraw/zinc/63/34/73/1031633473.db2.gz QUCYRYGGWQJZBF-GQIGUUNPSA-N 1 3 370.534 2.832 20 0 FFADHO Cc1cccc(OCCCNC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799176826 1031682058 /nfs/dbraw/zinc/68/20/58/1031682058.db2.gz GBFKHIRDBUJYNU-UHFFFAOYSA-N 1 3 373.541 2.688 20 0 FFADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176884 1031682294 /nfs/dbraw/zinc/68/22/94/1031682294.db2.gz DWWZMSWPJFDCJS-LJQANCHMSA-N 1 3 357.542 2.850 20 0 FFADHO CN(C(=O)C1C[NH+](C2CCCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001150439491 1031714907 /nfs/dbraw/zinc/71/49/07/1031714907.db2.gz USUVQQYTGHRKAC-NRFANRHFSA-N 1 3 355.526 2.984 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CC1 ZINC001205450178 1031755804 /nfs/dbraw/zinc/75/58/04/1031755804.db2.gz ZTXPBXHYKHKVPN-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CCC2)C1 ZINC001205458240 1031761177 /nfs/dbraw/zinc/76/11/77/1031761177.db2.gz FAJXFQNIWZZLFF-VQTJNVASSA-N 1 3 361.505 2.850 20 0 FFADHO Cc1noc(C)c1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001115543765 1031818698 /nfs/dbraw/zinc/81/86/98/1031818698.db2.gz ZMGOOJHHAIRIJP-NVXWUHKLSA-N 1 3 362.518 2.540 20 0 FFADHO Cc1noc(C)c1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543765 1031818706 /nfs/dbraw/zinc/81/87/06/1031818706.db2.gz ZMGOOJHHAIRIJP-NVXWUHKLSA-N 1 3 362.518 2.540 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cncs3)CCCCC2)CC[N@@H+]1C ZINC001115545066 1031824379 /nfs/dbraw/zinc/82/43/79/1031824379.db2.gz OZGIAPXIHSDPQP-DLBZAZTESA-N 1 3 364.559 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cncs3)CCCCC2)CC[N@H+]1C ZINC001115545066 1031824390 /nfs/dbraw/zinc/82/43/90/1031824390.db2.gz OZGIAPXIHSDPQP-DLBZAZTESA-N 1 3 364.559 2.782 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1F ZINC001205619610 1031875570 /nfs/dbraw/zinc/87/55/70/1031875570.db2.gz JLLHFWJZIPSJRI-DFQSSKMNSA-N 1 3 361.505 2.850 20 0 FFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001218712251 1033295890 /nfs/dbraw/zinc/29/58/90/1033295890.db2.gz OFYXDZPUABABLS-INIZCTEOSA-N 1 3 372.444 2.789 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@]3(CC)CCC[NH2+]C3)cc2)CC1 ZINC001218846077 1033370563 /nfs/dbraw/zinc/37/05/63/1033370563.db2.gz PRKVIADEXDKWIF-OAQYLSRUSA-N 1 3 358.530 2.542 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C3CCC(C[NH3+])CC3)cc2)CC1 ZINC001218845625 1033370927 /nfs/dbraw/zinc/37/09/27/1033370927.db2.gz FQMVOGDFSGWVDQ-UHFFFAOYSA-N 1 3 358.530 2.528 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)c(F)cc1N ZINC001218941044 1033419287 /nfs/dbraw/zinc/41/92/87/1033419287.db2.gz PDHAXLHVZPAFAT-LBPRGKRZSA-N 1 3 364.387 2.861 20 0 FFADHO Cc1nc(C)c(CN2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)s1 ZINC001223388071 1033422807 /nfs/dbraw/zinc/42/28/07/1033422807.db2.gz WILLADBVLUEARI-SJORKVTESA-N 1 3 364.559 2.525 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037270 1033481874 /nfs/dbraw/zinc/48/18/74/1033481874.db2.gz BDKOLCHDKATQHB-YIYNPQHWSA-N 1 3 363.546 2.520 20 0 FFADHO COc1ccc(-c2ccccc2NC(=O)[C@@H](N)CCCC[NH+](C)C)nc1 ZINC001219402321 1033631513 /nfs/dbraw/zinc/63/15/13/1033631513.db2.gz HRDRVKMWLMHVHY-KRWDZBQOSA-N 1 3 356.470 2.755 20 0 FFADHO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001219495100 1033668555 /nfs/dbraw/zinc/66/85/55/1033668555.db2.gz NOESZSPOPPKTEQ-SFHVURJKSA-N 1 3 353.466 2.929 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCCc1cncc(C(F)(F)F)c1 ZINC001219575230 1033698757 /nfs/dbraw/zinc/69/87/57/1033698757.db2.gz FEVSNLRXMVVPAY-INIZCTEOSA-N 1 3 374.451 2.645 20 0 FFADHO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)N[C@@H](C)CN3CCC(C)CC3)C2)c1 ZINC001220334726 1034123388 /nfs/dbraw/zinc/12/33/88/1034123388.db2.gz AUNIGLIIOJMJOY-TYPHKJRUSA-N 1 3 357.542 2.752 20 0 FFADHO CN(Cc1cnc(N(C)C)nc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138351378 1034185954 /nfs/dbraw/zinc/18/59/54/1034185954.db2.gz NAMKBVVDSZKGSV-UHFFFAOYSA-N 1 3 353.514 2.887 20 0 FFADHO [NH3+]CCN(C(=O)C[C@@H]1Cc2ccccc2CN1)C12CC3CC(CC(C3)C1)C2 ZINC001220538256 1034244179 /nfs/dbraw/zinc/24/41/79/1034244179.db2.gz ICRCEUVJLYWLIR-DSQUVOCVSA-N 1 3 367.537 2.847 20 0 FFADHO [NH2+]=C(Cc1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1)NO ZINC001225545786 1034299694 /nfs/dbraw/zinc/29/96/94/1034299694.db2.gz IOHQNLRBNZWLFW-HXUWFJFHSA-N 1 3 369.465 2.855 20 0 FFADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220789115 1034399523 /nfs/dbraw/zinc/39/95/23/1034399523.db2.gz JMBYSHIABGRULQ-XSDIEEQYSA-N 1 3 364.493 2.732 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226170260 1034557476 /nfs/dbraw/zinc/55/74/76/1034557476.db2.gz GWYFHFOMBRJHNG-VAMGGRTRSA-N 1 3 367.578 2.939 20 0 FFADHO CN(CCNC(=O)OC(C)(C)C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138768756 1034635768 /nfs/dbraw/zinc/63/57/68/1034635768.db2.gz AEWKQEACEKIEBO-UHFFFAOYSA-N 1 3 351.491 2.584 20 0 FFADHO CC(=O)N(C(C)C)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138771870 1034640095 /nfs/dbraw/zinc/64/00/95/1034640095.db2.gz ICGVITHNDDVFMC-UHFFFAOYSA-N 1 3 361.530 2.848 20 0 FFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC001221396840 1034712813 /nfs/dbraw/zinc/71/28/13/1034712813.db2.gz CLPVXXSXFIMBRE-IBGZPJMESA-N 1 3 373.500 2.536 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC001221472724 1034799980 /nfs/dbraw/zinc/79/99/80/1034799980.db2.gz OJOXZRHKWDOJEW-PKOBYXMFSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC001221472724 1034799990 /nfs/dbraw/zinc/79/99/90/1034799990.db2.gz OJOXZRHKWDOJEW-PKOBYXMFSA-N 1 3 358.530 2.948 20 0 FFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F)C1CC1 ZINC001226800306 1034846234 /nfs/dbraw/zinc/84/62/34/1034846234.db2.gz JWIHYDKTRLNTEI-VAMGGRTRSA-N 1 3 361.505 2.725 20 0 FFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC001226800994 1034846313 /nfs/dbraw/zinc/84/63/13/1034846313.db2.gz RGXGJJUTDMXBJS-GUDVDZBRSA-N 1 3 365.468 2.822 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4cnn(C)c4c3)C2)C1 ZINC001139905919 1035270764 /nfs/dbraw/zinc/27/07/64/1035270764.db2.gz CCQPZVJMWADOJE-IFMALSPDSA-N 1 3 368.525 2.754 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4cnn(C)c4c3)C2)C1 ZINC001139905919 1035270770 /nfs/dbraw/zinc/27/07/70/1035270770.db2.gz CCQPZVJMWADOJE-IFMALSPDSA-N 1 3 368.525 2.754 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(OC(C)C)CCC3)CC2)CC1 ZINC000834577823 1035409308 /nfs/dbraw/zinc/40/93/08/1035409308.db2.gz SXMUQCGIALIRJZ-UHFFFAOYSA-N 1 3 365.562 2.647 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccnc4c(F)cccc34)CC2)CC1 ZINC001232213438 1035501598 /nfs/dbraw/zinc/50/15/98/1035501598.db2.gz IHLOQSOGQWVLDL-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227742030 1035709188 /nfs/dbraw/zinc/70/91/88/1035709188.db2.gz JRMLQUXJWKJEIS-QZTJIDSGSA-N 1 3 362.518 2.765 20 0 FFADHO CSc1cc(C)cc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)c1 ZINC001277690988 1035885415 /nfs/dbraw/zinc/88/54/15/1035885415.db2.gz QJWPBQOYZYRJKE-HXUWFJFHSA-N 1 3 361.555 2.703 20 0 FFADHO CSc1cc(C)cc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)c1 ZINC001277690988 1035885437 /nfs/dbraw/zinc/88/54/37/1035885437.db2.gz QJWPBQOYZYRJKE-HXUWFJFHSA-N 1 3 361.555 2.703 20 0 FFADHO Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001228445743 1036118648 /nfs/dbraw/zinc/11/86/48/1036118648.db2.gz WWOGDQLOEMBPRZ-KZNAEPCWSA-N 1 3 366.575 2.597 20 0 FFADHO NC(=O)C1CCN(C2CC[NH+](Cc3ccccc3-n3cccc3)CC2)CC1 ZINC001232912505 1036150328 /nfs/dbraw/zinc/15/03/28/1036150328.db2.gz ONHXUTALYVWWCU-UHFFFAOYSA-N 1 3 366.509 2.639 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CC)OC ZINC001229181256 1036536398 /nfs/dbraw/zinc/53/63/98/1036536398.db2.gz ULWICEZWGLAAFJ-IPMKNSEASA-N 1 3 355.567 2.941 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOC ZINC001229616160 1036778818 /nfs/dbraw/zinc/77/88/18/1036778818.db2.gz YYSYLCGPEJHWGH-GUDVDZBRSA-N 1 3 353.551 2.695 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229802106 1036907932 /nfs/dbraw/zinc/90/79/32/1036907932.db2.gz ZMTCJZFUBDGXHN-QZTJIDSGSA-N 1 3 350.507 2.540 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001229854057 1036938454 /nfs/dbraw/zinc/93/84/54/1036938454.db2.gz ZKRRDIXZACGTFI-IAGOWNOFSA-N 1 3 366.937 2.984 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001229854057 1036938468 /nfs/dbraw/zinc/93/84/68/1036938468.db2.gz ZKRRDIXZACGTFI-IAGOWNOFSA-N 1 3 366.937 2.984 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1F ZINC001229876974 1036954587 /nfs/dbraw/zinc/95/45/87/1036954587.db2.gz HKBOGMPRUSOFDN-QZTJIDSGSA-N 1 3 365.493 2.563 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257287 1037179503 /nfs/dbraw/zinc/17/95/03/1037179503.db2.gz OXVWOJIDTJPUKD-RTBURBONSA-N 1 3 362.518 2.684 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCCCC2)sn1 ZINC001230263122 1037183788 /nfs/dbraw/zinc/18/37/88/1037183788.db2.gz IFZZLRCJYZZTBR-QZTJIDSGSA-N 1 3 364.559 2.845 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)[NH+]1CCCC1 ZINC001230287020 1037198172 /nfs/dbraw/zinc/19/81/72/1037198172.db2.gz VYKXBQRAJFEVTF-AQNXPRMDSA-N 1 3 358.530 2.719 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001207261810 1037295051 /nfs/dbraw/zinc/29/50/51/1037295051.db2.gz AMFYSBSJVSRNGN-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001207261810 1037295062 /nfs/dbraw/zinc/29/50/62/1037295062.db2.gz AMFYSBSJVSRNGN-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001207280746 1037311115 /nfs/dbraw/zinc/31/11/15/1037311115.db2.gz UXBFVZOJFWBWLC-NQIIRXRSSA-N 1 3 361.530 2.919 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001207280746 1037311127 /nfs/dbraw/zinc/31/11/27/1037311127.db2.gz UXBFVZOJFWBWLC-NQIIRXRSSA-N 1 3 361.530 2.919 20 0 FFADHO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC(C)(C)CN(C)C)cs1 ZINC001207280797 1037311206 /nfs/dbraw/zinc/31/12/06/1037311206.db2.gz WEAWHGPUBHBDON-IAGOWNOFSA-N 1 3 364.559 2.605 20 0 FFADHO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC(C)(C)CN(C)C)cs1 ZINC001207280797 1037311221 /nfs/dbraw/zinc/31/12/21/1037311221.db2.gz WEAWHGPUBHBDON-IAGOWNOFSA-N 1 3 364.559 2.605 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001207282855 1037315598 /nfs/dbraw/zinc/31/55/98/1037315598.db2.gz WQBAZQVLJWMUOX-QFIPXVFZSA-N 1 3 374.573 2.584 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001207282855 1037315617 /nfs/dbraw/zinc/31/56/17/1037315617.db2.gz WQBAZQVLJWMUOX-QFIPXVFZSA-N 1 3 374.573 2.584 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001207282855 1037315633 /nfs/dbraw/zinc/31/56/33/1037315633.db2.gz WQBAZQVLJWMUOX-QFIPXVFZSA-N 1 3 374.573 2.584 20 0 FFADHO c1ccc(CCCCCN2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001235206714 1037411067 /nfs/dbraw/zinc/41/10/67/1037411067.db2.gz VFVKDQXEVASPOJ-UHFFFAOYSA-N 1 3 370.541 2.873 20 0 FFADHO C[C@H]1C[NH2+]CCN1Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001235362905 1037504269 /nfs/dbraw/zinc/50/42/69/1037504269.db2.gz RXGXICUKRASICM-FQEVSTJZSA-N 1 3 364.537 2.803 20 0 FFADHO CN(C)CCN1CC[N@H+](CC(c2ccccc2)c2ccccc2)CCC1=O ZINC001207525914 1037521360 /nfs/dbraw/zinc/52/13/60/1037521360.db2.gz IZZFRBKIMAYMSI-UHFFFAOYSA-N 1 3 365.521 2.914 20 0 FFADHO CN(C)CCN1CC[N@@H+](CC(c2ccccc2)c2ccccc2)CCC1=O ZINC001207525914 1037521372 /nfs/dbraw/zinc/52/13/72/1037521372.db2.gz IZZFRBKIMAYMSI-UHFFFAOYSA-N 1 3 365.521 2.914 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207540766 1037532251 /nfs/dbraw/zinc/53/22/51/1037532251.db2.gz CTHQWLPWXDJTDV-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207540766 1037532262 /nfs/dbraw/zinc/53/22/62/1037532262.db2.gz CTHQWLPWXDJTDV-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541084 1037533186 /nfs/dbraw/zinc/53/31/86/1037533186.db2.gz SFLGJFIIGHOTSR-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541084 1037533197 /nfs/dbraw/zinc/53/31/97/1037533197.db2.gz SFLGJFIIGHOTSR-VAMGGRTRSA-N 1 3 367.578 2.749 20 0 FFADHO [NH3+]CCCCN1CCC[C@@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001235549722 1037618369 /nfs/dbraw/zinc/61/83/69/1037618369.db2.gz ICIGBYFLLIKJMR-GOSISDBHSA-N 1 3 364.877 2.628 20 0 FFADHO FC(F)(F)c1ccc(O[C@H]2CCC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235688901 1037685266 /nfs/dbraw/zinc/68/52/66/1037685266.db2.gz VAWXZXAGIHUXMP-IRXDYDNUSA-N 1 3 358.404 2.927 20 0 FFADHO FC(F)(F)c1ccc(O[C@H]2CCC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235688901 1037685273 /nfs/dbraw/zinc/68/52/73/1037685273.db2.gz VAWXZXAGIHUXMP-IRXDYDNUSA-N 1 3 358.404 2.927 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001207789926 1037728886 /nfs/dbraw/zinc/72/88/86/1037728886.db2.gz JGUOXVUIYFMJFQ-NZSAHSFTSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001207789926 1037728904 /nfs/dbraw/zinc/72/89/04/1037728904.db2.gz JGUOXVUIYFMJFQ-NZSAHSFTSA-N 1 3 365.562 2.645 20 0 FFADHO COc1cc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc2c1NC(C)(C)C=C2 ZINC001236078465 1037921223 /nfs/dbraw/zinc/92/12/23/1037921223.db2.gz HBNZMVRWCUWKRX-GOSISDBHSA-N 1 3 356.514 2.520 20 0 FFADHO Cc1cc(Br)cc(CN2CCC([NH+]3CCNCC3)CC2)c1 ZINC001236128958 1037942876 /nfs/dbraw/zinc/94/28/76/1037942876.db2.gz RIYBHTOXJBGOIN-UHFFFAOYSA-N 1 3 352.320 2.627 20 0 FFADHO Cc1cc(CN2CCC(N3CC[NH2+]CC3)CC2)cc(OC(F)(F)F)c1 ZINC001236128157 1037943080 /nfs/dbraw/zinc/94/30/80/1037943080.db2.gz MBNRPCDKLIMSHK-UHFFFAOYSA-N 1 3 357.420 2.763 20 0 FFADHO COc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)c1[O-] ZINC001236315245 1038043221 /nfs/dbraw/zinc/04/32/21/1038043221.db2.gz XJKNAFDZTJMNRZ-BETUJISGSA-N 1 3 355.276 2.595 20 0 FFADHO COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)c1[O-] ZINC001236315245 1038043236 /nfs/dbraw/zinc/04/32/36/1038043236.db2.gz XJKNAFDZTJMNRZ-BETUJISGSA-N 1 3 355.276 2.595 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)c1O ZINC001236315245 1038043252 /nfs/dbraw/zinc/04/32/52/1038043252.db2.gz XJKNAFDZTJMNRZ-BETUJISGSA-N 1 3 355.276 2.595 20 0 FFADHO Cc1ccc(F)cc1CN(Cc1ccc2n1CCNC2)C1CC[NH2+]CC1 ZINC001236507152 1038114070 /nfs/dbraw/zinc/11/40/70/1038114070.db2.gz UXNGPGLUOPARME-UHFFFAOYSA-N 1 3 356.489 2.793 20 0 FFADHO Cc1cnc2n1CCN(C)C21CCN(CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208185960 1038119599 /nfs/dbraw/zinc/11/95/99/1038119599.db2.gz FJZMMUMLTSTDRM-UHFFFAOYSA-N 1 3 359.562 2.550 20 0 FFADHO Cc1cccnc1OC1CCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001236662276 1038179468 /nfs/dbraw/zinc/17/94/68/1038179468.db2.gz BCORVSHUUZQFCG-UHFFFAOYSA-N 1 3 366.509 2.843 20 0 FFADHO Cc1cccc(CN(Cc2cnc3n2CCNC3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236742803 1038231276 /nfs/dbraw/zinc/23/12/76/1038231276.db2.gz SVRZVSDKTGWCSF-WGSAOQKQSA-N 1 3 353.514 2.567 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001255935028 1038261736 /nfs/dbraw/zinc/26/17/36/1038261736.db2.gz DHSATSBITBPZJX-GOSISDBHSA-N 1 3 361.530 2.694 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255940957 1038266294 /nfs/dbraw/zinc/26/62/94/1038266294.db2.gz JVEAVPUFMFGBFT-XMTFNYHQSA-N 1 3 369.550 2.578 20 0 FFADHO CCOC(=O)N1CC[C@H](N2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)C1 ZINC001256034454 1038327089 /nfs/dbraw/zinc/32/70/89/1038327089.db2.gz XRZJFXZUFRQXNG-AQNXPRMDSA-N 1 3 357.498 2.589 20 0 FFADHO C[C@@H]1CN(CCOc2ccc3ccccc3c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496167 1038359542 /nfs/dbraw/zinc/35/95/42/1038359542.db2.gz KKHAXAIFMXIJER-DYESRHJHSA-N 1 3 369.509 2.607 20 0 FFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)C1CC[NH+](C2CC2)CC1 ZINC001256083412 1038368786 /nfs/dbraw/zinc/36/87/86/1038368786.db2.gz UTBDZCJEUJORDV-JOCHJYFZSA-N 1 3 357.542 2.836 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(O)cc(OC)c3)(C1)CCC2 ZINC001278915793 1038410650 /nfs/dbraw/zinc/41/06/50/1038410650.db2.gz PWQSDIXELLGZMX-UXHICEINSA-N 1 3 364.486 2.546 20 0 FFADHO C[NH+](C)CCN1CCN(CCCc2ccc(C(F)(F)F)cc2)CCC1=O ZINC001208690374 1038486505 /nfs/dbraw/zinc/48/65/05/1038486505.db2.gz KXDURBJGIMQEIF-UHFFFAOYSA-N 1 3 371.447 2.734 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256365388 1038490565 /nfs/dbraw/zinc/49/05/65/1038490565.db2.gz GWJQNXLAGXGPQS-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3ccccn3)cc2)CC1 ZINC001256399887 1038499001 /nfs/dbraw/zinc/49/90/01/1038499001.db2.gz YXIAOOAZCCMTFZ-LJQANCHMSA-N 1 3 352.526 2.940 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256676543 1038598405 /nfs/dbraw/zinc/59/84/05/1038598405.db2.gz DUKQUUVUUKIEIJ-LBXVMSDZSA-N 1 3 367.534 2.619 20 0 FFADHO Brc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)nc1 ZINC001256679280 1038599351 /nfs/dbraw/zinc/59/93/51/1038599351.db2.gz IDMVVGSTMXOPHT-UHFFFAOYSA-N 1 3 368.319 2.620 20 0 FFADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001256683418 1038601224 /nfs/dbraw/zinc/60/12/24/1038601224.db2.gz AQNBHKCKEOFJPO-YOODTLSXSA-N 1 3 352.906 2.995 20 0 FFADHO c1ncn(Cc2ccccc2)c1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686160 1038602906 /nfs/dbraw/zinc/60/29/06/1038602906.db2.gz JVLLHTNHDLKHPN-UHFFFAOYSA-N 1 3 354.498 2.664 20 0 FFADHO Cc1cncnc1O[C@@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956495 1038606367 /nfs/dbraw/zinc/60/63/67/1038606367.db2.gz AWLXNTRQWUHCLF-WOJBJXKFSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cncnc1O[C@@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956495 1038606371 /nfs/dbraw/zinc/60/63/71/1038606371.db2.gz AWLXNTRQWUHCLF-WOJBJXKFSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1nccnc1O[C@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208961217 1038608123 /nfs/dbraw/zinc/60/81/23/1038608123.db2.gz YWUIOBNLIPIHPT-UXHICEINSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1nccnc1O[C@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208961217 1038608124 /nfs/dbraw/zinc/60/81/24/1038608124.db2.gz YWUIOBNLIPIHPT-UXHICEINSA-N 1 3 352.482 2.760 20 0 FFADHO O[C@H](C[NH2+]CCCN1CCCC1)COCc1c(Cl)cccc1Cl ZINC001250888969 1038782671 /nfs/dbraw/zinc/78/26/71/1038782671.db2.gz AJIAONZNLNYMMN-CQSZACIVSA-N 1 3 361.313 2.946 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001251411733 1039118419 /nfs/dbraw/zinc/11/84/19/1039118419.db2.gz HUKJSCQEKAANLL-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001251411733 1039118425 /nfs/dbraw/zinc/11/84/25/1039118425.db2.gz HUKJSCQEKAANLL-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO O[C@@]1(CNC2CC[NH+](CCc3ccccc3)CC2)CCOc2ccccc21 ZINC001258136029 1039213287 /nfs/dbraw/zinc/21/32/87/1039213287.db2.gz YBTRIVGHZYUMCF-HSZRJFAPSA-N 1 3 366.505 2.953 20 0 FFADHO c1ccc(C[C@@H]2C[C@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CCN2)cc1 ZINC001246171477 1039264793 /nfs/dbraw/zinc/26/47/93/1039264793.db2.gz QIUOYHQDTPHWJS-FGZHOGPDSA-N 1 3 371.569 2.974 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCCN1CN[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246350629 1039322423 /nfs/dbraw/zinc/32/24/23/1039322423.db2.gz NMHQDUSXDVNYNF-SJORKVTESA-N 1 3 351.535 2.652 20 0 FFADHO CC(C)(C)OC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246500449 1039372428 /nfs/dbraw/zinc/37/24/28/1039372428.db2.gz IDLDAWSSQCYILY-GBESFXJTSA-N 1 3 361.530 2.909 20 0 FFADHO CCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001258478038 1039388959 /nfs/dbraw/zinc/38/89/59/1039388959.db2.gz ODBONUNJMFNLIN-SFHVURJKSA-N 1 3 361.530 2.646 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246595166 1039408913 /nfs/dbraw/zinc/40/89/13/1039408913.db2.gz ROJLECGLAXCJRI-QGZVFWFLSA-N 1 3 361.530 2.729 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246595166 1039408922 /nfs/dbraw/zinc/40/89/22/1039408922.db2.gz ROJLECGLAXCJRI-QGZVFWFLSA-N 1 3 361.530 2.729 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCc4cccc(F)c4C3)C[C@@H]1CNCCC2 ZINC001246612347 1039415096 /nfs/dbraw/zinc/41/50/96/1039415096.db2.gz VRDFSONTWHBRRH-FIKGOQFSSA-N 1 3 360.473 2.548 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCc4cccc(F)c4C3)C[C@@H]1CNCCC2 ZINC001246612347 1039415105 /nfs/dbraw/zinc/41/51/05/1039415105.db2.gz VRDFSONTWHBRRH-FIKGOQFSSA-N 1 3 360.473 2.548 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001210179230 1039421336 /nfs/dbraw/zinc/42/13/36/1039421336.db2.gz KNUKLZHRQGYSJB-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001210179230 1039421343 /nfs/dbraw/zinc/42/13/43/1039421343.db2.gz KNUKLZHRQGYSJB-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO O=C(OC1CCC(N2CCOC[C@]3(CCC[NH2+]C3)C2)CC1)c1ccccc1 ZINC001246633913 1039424908 /nfs/dbraw/zinc/42/49/08/1039424908.db2.gz FJSBUJAGKOZZSY-AOMIVXANSA-N 1 3 372.509 2.857 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246721922 1039450992 /nfs/dbraw/zinc/45/09/92/1039450992.db2.gz POXOBHPPOFUTKO-UZKOGDIHSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CCN1 ZINC001246721922 1039450996 /nfs/dbraw/zinc/45/09/96/1039450996.db2.gz POXOBHPPOFUTKO-UZKOGDIHSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CCN1 ZINC001246721922 1039451004 /nfs/dbraw/zinc/45/10/04/1039451004.db2.gz POXOBHPPOFUTKO-UZKOGDIHSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@@H](N2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756734 1039467227 /nfs/dbraw/zinc/46/72/27/1039467227.db2.gz NUNOOBCTXYADHM-JRGCBEDISA-N 1 3 361.505 2.885 20 0 FFADHO Fc1cccc(N2CCOC[C@@]3(CCCN([C@@H]4CCC[NH2+]CC4)C3)C2)c1 ZINC001246755731 1039467344 /nfs/dbraw/zinc/46/73/44/1039467344.db2.gz LWQUMTFKDDXVML-TZIWHRDSSA-N 1 3 361.505 2.887 20 0 FFADHO C[C@H]1C[C@@H](N2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756730 1039467761 /nfs/dbraw/zinc/46/77/61/1039467761.db2.gz NUNOOBCTXYADHM-DZFGPLHGSA-N 1 3 361.505 2.885 20 0 FFADHO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCN[C@@H](C)C3)O2)cs1 ZINC001246762691 1039469113 /nfs/dbraw/zinc/46/91/13/1039469113.db2.gz XOLZJDCDLSRGNL-RKWNZTQVSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CCN[C@@H](C)C3)O2)cs1 ZINC001246762691 1039469125 /nfs/dbraw/zinc/46/91/25/1039469125.db2.gz XOLZJDCDLSRGNL-RKWNZTQVSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1cnc(Cl)c(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001278660120 1039500612 /nfs/dbraw/zinc/50/06/12/1039500612.db2.gz JODCPMSKGIPURA-IBGZPJMESA-N 1 3 350.938 2.893 20 0 FFADHO CC[C@H](C)C[C@H](CC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258789430 1039513518 /nfs/dbraw/zinc/51/35/18/1039513518.db2.gz APNXOTBGUNMPPB-GJZGRUSLSA-N 1 3 350.507 2.539 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC(CC3CC[NH+](CC)CC3)CC2)CN1 ZINC001246900263 1039525050 /nfs/dbraw/zinc/52/50/50/1039525050.db2.gz HICZEJWAKZGUJL-PMACEKPBSA-N 1 3 365.562 2.504 20 0 FFADHO c1ccc(CN2CCN(c3ccc4[nH]c([C@@H]5CC[NH2+]C5)nc4c3)CC2)cc1 ZINC001247010529 1039579675 /nfs/dbraw/zinc/57/96/75/1039579675.db2.gz JYHCMSLJMYEIOW-GOSISDBHSA-N 1 3 361.493 2.962 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC001210497321 1039583247 /nfs/dbraw/zinc/58/32/47/1039583247.db2.gz CTUQAESULXXTCO-RBSFLKMASA-N 1 3 364.361 2.739 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)C[C@H]1C ZINC001210497321 1039583265 /nfs/dbraw/zinc/58/32/65/1039583265.db2.gz CTUQAESULXXTCO-RBSFLKMASA-N 1 3 364.361 2.739 20 0 FFADHO FC(F)(F)c1ccc(Cl)cc1-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247829931 1039976950 /nfs/dbraw/zinc/97/69/50/1039976950.db2.gz KOYURWIEPWIGIN-NSHDSACASA-N 1 3 358.751 2.685 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)N1CCc2ccccc2C1 ZINC001211269224 1040051327 /nfs/dbraw/zinc/05/13/27/1040051327.db2.gz OUUUXLCFUMUZBH-HBMCJLEFSA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)N1CCc2ccccc2C1 ZINC001211269224 1040051339 /nfs/dbraw/zinc/05/13/39/1040051339.db2.gz OUUUXLCFUMUZBH-HBMCJLEFSA-N 1 3 370.541 2.559 20 0 FFADHO C[NH+]1CCN(Cc2cccc(-c3noc([C@H](N)CC(C)(C)C)n3)c2)CC1 ZINC001248205683 1040171693 /nfs/dbraw/zinc/17/16/93/1040171693.db2.gz NYMVECQYTAXIFC-QGZVFWFLSA-N 1 3 357.502 2.920 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001253945726 1040465272 /nfs/dbraw/zinc/46/52/72/1040465272.db2.gz CGQODDFZYCXHDC-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001253945726 1040465283 /nfs/dbraw/zinc/46/52/83/1040465283.db2.gz CGQODDFZYCXHDC-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254039090 1040542906 /nfs/dbraw/zinc/54/29/06/1040542906.db2.gz YXVBWWOFLNJIBK-IBGZPJMESA-N 1 3 374.525 2.677 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254039090 1040542919 /nfs/dbraw/zinc/54/29/19/1040542919.db2.gz YXVBWWOFLNJIBK-IBGZPJMESA-N 1 3 374.525 2.677 20 0 FFADHO OC[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001254050311 1040551685 /nfs/dbraw/zinc/55/16/85/1040551685.db2.gz IRCQIPKWIIPPHX-HXUWFJFHSA-N 1 3 374.912 2.990 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)C1 ZINC001254227986 1040625763 /nfs/dbraw/zinc/62/57/63/1040625763.db2.gz JBVOZDMKIQDJFD-BBWFWOEESA-N 1 3 367.534 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)C1 ZINC001254227986 1040625774 /nfs/dbraw/zinc/62/57/74/1040625774.db2.gz JBVOZDMKIQDJFD-BBWFWOEESA-N 1 3 367.534 2.870 20 0 FFADHO CN(C)c1cccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001278772833 1040652176 /nfs/dbraw/zinc/65/21/76/1040652176.db2.gz LDBYOWZRENAXSN-UHFFFAOYSA-N 1 3 353.514 2.547 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CCN(C2CC2)C1 ZINC001254389561 1040694501 /nfs/dbraw/zinc/69/45/01/1040694501.db2.gz BSBGJLZVSBNJFA-PXNSSMCTSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CCN(C2CC2)C1 ZINC001254389561 1040694509 /nfs/dbraw/zinc/69/45/09/1040694509.db2.gz BSBGJLZVSBNJFA-PXNSSMCTSA-N 1 3 362.562 2.909 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CCCC(C)C)C[C@H]1OC)C(C)C ZINC001213593393 1040701567 /nfs/dbraw/zinc/70/15/67/1040701567.db2.gz XLFGTFVDOSVATC-QRVBRYPASA-N 1 3 355.567 2.604 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCC3(CC2)CN(Cc2ccccc2)CCO3)CC1 ZINC001254520481 1040770943 /nfs/dbraw/zinc/77/09/43/1040770943.db2.gz DVUIJIOGWKUXIL-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCC3(CC2)CN(Cc2ccccc2)CCO3)CC1 ZINC001254520481 1040770952 /nfs/dbraw/zinc/77/09/52/1040770952.db2.gz DVUIJIOGWKUXIL-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO CC(C)[NH+]1CCC(N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254683041 1040877455 /nfs/dbraw/zinc/87/74/55/1040877455.db2.gz SCUHHJODOAEBLX-MRXNPFEDSA-N 1 3 369.575 2.944 20 0 FFADHO Cn1cc2c(n1)[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)OCC2 ZINC001255122249 1041157274 /nfs/dbraw/zinc/15/72/74/1041157274.db2.gz NVCPOZYQKJGJEB-PLACYPQZSA-N 1 3 366.509 2.819 20 0 FFADHO O=C1CCC2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)N1 ZINC001255150565 1041173875 /nfs/dbraw/zinc/17/38/75/1041173875.db2.gz NJMCKDDHJNSBGJ-PMOLBWCYSA-N 1 3 353.510 2.927 20 0 FFADHO O=C1CCC2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)N1 ZINC001255150565 1041173884 /nfs/dbraw/zinc/17/38/84/1041173884.db2.gz NJMCKDDHJNSBGJ-PMOLBWCYSA-N 1 3 353.510 2.927 20 0 FFADHO COc1cccc([C@H](O)C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001250707878 1041318254 /nfs/dbraw/zinc/31/82/54/1041318254.db2.gz XJFDUUDDFAXUKX-RTWAWAEBSA-N 1 3 362.514 2.551 20 0 FFADHO COc1cccc([C@H](O)C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001250707878 1041318268 /nfs/dbraw/zinc/31/82/68/1041318268.db2.gz XJFDUUDDFAXUKX-RTWAWAEBSA-N 1 3 362.514 2.551 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(F)cc2F)CC1 ZINC001250858853 1041404470 /nfs/dbraw/zinc/40/44/70/1041404470.db2.gz AHQAPXUEBMWRPT-KRWDZBQOSA-N 1 3 356.457 2.901 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(F)cc2F)CC1 ZINC001250858853 1041404477 /nfs/dbraw/zinc/40/44/77/1041404477.db2.gz AHQAPXUEBMWRPT-KRWDZBQOSA-N 1 3 356.457 2.901 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC001262094338 1041553175 /nfs/dbraw/zinc/55/31/75/1041553175.db2.gz GAAFFJUVKDHMDU-HNAYVOBHSA-N 1 3 370.497 2.854 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCN(Cc4cccc(F)c4)C3=O)C[C@H]2C1 ZINC001262483173 1041700512 /nfs/dbraw/zinc/70/05/12/1041700512.db2.gz XWBUSUGKCDLMGC-NLWGTHIKSA-N 1 3 374.504 2.683 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC(C(C)(C)C[NH3+])CC1)Cc1ccccc1 ZINC001262559161 1041720035 /nfs/dbraw/zinc/72/00/35/1041720035.db2.gz CATIDJVETJBVGD-IBGZPJMESA-N 1 3 360.546 2.566 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cccc(Cl)c1Cl ZINC001215461189 1041792126 /nfs/dbraw/zinc/79/21/26/1041792126.db2.gz VOAYIYLKVFWJLH-IUODEOHRSA-N 1 3 358.313 2.882 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cncc(F)c2)C1)C(C)C ZINC001215977761 1041921966 /nfs/dbraw/zinc/92/19/66/1041921966.db2.gz RONFRHJPMJXZJL-LZQZEXGQSA-N 1 3 364.509 2.524 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC2CC2)C1 ZINC001215999225 1041927996 /nfs/dbraw/zinc/92/79/96/1041927996.db2.gz VXDYWRBBWPTXTD-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc2c(c1)OCCNC2 ZINC001263097835 1042101080 /nfs/dbraw/zinc/10/10/80/1042101080.db2.gz KHGUMPMZKADNTD-UHFFFAOYSA-N 1 3 371.525 2.943 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001216851625 1042143480 /nfs/dbraw/zinc/14/34/80/1042143480.db2.gz COUMTXCQIUSHIN-QWQRMKEZSA-N 1 3 353.457 2.803 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccncc2Cl)C1)N(C)C ZINC001263919354 1042531666 /nfs/dbraw/zinc/53/16/66/1042531666.db2.gz PLMWDDMMCZAUDU-YXJHDRRASA-N 1 3 366.937 2.696 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCOCC2)C1)N1CCCCCC1 ZINC001263920957 1042533268 /nfs/dbraw/zinc/53/32/68/1042533268.db2.gz BDGNVPXUALOEHH-YSIASYRMSA-N 1 3 365.562 2.552 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@@H]2C1)N(C)C ZINC001264099847 1042625325 /nfs/dbraw/zinc/62/53/25/1042625325.db2.gz QUWRGWWZSVZUOS-OWCLPIDISA-N 1 3 363.468 2.840 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCCC(F)(F)F)CC[C@@H]2C1)N(C)C ZINC001264099847 1042625327 /nfs/dbraw/zinc/62/53/27/1042625327.db2.gz QUWRGWWZSVZUOS-OWCLPIDISA-N 1 3 363.468 2.840 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001264492531 1042696307 /nfs/dbraw/zinc/69/63/07/1042696307.db2.gz VBZHPUKYQNSWPY-GHTZIAJQSA-N 1 3 357.542 2.890 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CC1CCOCC1 ZINC001264578778 1042726854 /nfs/dbraw/zinc/72/68/54/1042726854.db2.gz CTHOXTAEQHTPFJ-UYAOXDASSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@@H+]1CCOC(C)C ZINC001264627452 1042759012 /nfs/dbraw/zinc/75/90/12/1042759012.db2.gz NUNQYPITKBXZBD-ZCNNSNEGSA-N 1 3 367.578 2.891 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@H+]1CCOC(C)C ZINC001264627452 1042759020 /nfs/dbraw/zinc/75/90/20/1042759020.db2.gz NUNQYPITKBXZBD-ZCNNSNEGSA-N 1 3 367.578 2.891 20 0 FFADHO c1cn2cc(CN3CCC4(CC[N@H+](Cc5cn[nH]c5)C4)CC3)ccc2n1 ZINC001279121850 1042907946 /nfs/dbraw/zinc/90/79/46/1042907946.db2.gz HIDVXEQOTZWYDO-UHFFFAOYSA-N 1 3 350.470 2.546 20 0 FFADHO c1cn2cc(CN3CCC4(CC[N@@H+](Cc5cn[nH]c5)C4)CC3)ccc2n1 ZINC001279121850 1042907948 /nfs/dbraw/zinc/90/79/48/1042907948.db2.gz HIDVXEQOTZWYDO-UHFFFAOYSA-N 1 3 350.470 2.546 20 0 FFADHO COc1ccc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cc1O ZINC001279141818 1042916134 /nfs/dbraw/zinc/91/61/34/1042916134.db2.gz ZFISKJKBABEBNF-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO COc1ccc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cc1O ZINC001279141818 1042916139 /nfs/dbraw/zinc/91/61/39/1042916139.db2.gz ZFISKJKBABEBNF-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1cc(C(F)(F)F)ccn1)CC2 ZINC001279224065 1042951810 /nfs/dbraw/zinc/95/18/10/1042951810.db2.gz LLZZQHXJPIXNPU-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO FC(F)(F)CCCN1CC2(C1)CC[NH+](CCCC1OCCO1)CC2 ZINC001279251635 1042967305 /nfs/dbraw/zinc/96/73/05/1042967305.db2.gz WWVXWWHQGABHMJ-UHFFFAOYSA-N 1 3 350.425 2.880 20 0 FFADHO Cc1cc(Cl)ncc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279292490 1042987309 /nfs/dbraw/zinc/98/73/09/1042987309.db2.gz PTEUIFLXDMQGDO-UHFFFAOYSA-N 1 3 359.905 2.838 20 0 FFADHO CSc1ccccc1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279414196 1043079496 /nfs/dbraw/zinc/07/94/96/1043079496.db2.gz BYKDNCOZQUMFIB-CALCHBBNSA-N 1 3 361.555 2.641 20 0 FFADHO CSc1ccccc1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001279414196 1043079504 /nfs/dbraw/zinc/07/95/04/1043079504.db2.gz BYKDNCOZQUMFIB-CALCHBBNSA-N 1 3 361.555 2.641 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4cnc(C)s4)C[C@H]3CC2)n(C)n1 ZINC001279419736 1043091591 /nfs/dbraw/zinc/09/15/91/1043091591.db2.gz SKHPNDAFBHEQCE-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4cnc(C)s4)C[C@H]3CC2)n(C)n1 ZINC001279419736 1043091603 /nfs/dbraw/zinc/09/16/03/1043091603.db2.gz SKHPNDAFBHEQCE-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCC12C[NH2+]C2 ZINC001237429744 1043154995 /nfs/dbraw/zinc/15/49/95/1043154995.db2.gz JDSFREXYLGZCOE-HNNXBMFYSA-N 1 3 372.387 2.560 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3)nc2)CCC12C[NH2+]C2 ZINC001237431238 1043156290 /nfs/dbraw/zinc/15/62/90/1043156290.db2.gz PQLPIKILVRQLOJ-LJQANCHMSA-N 1 3 365.477 2.723 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(CCc1c(F)cccc1F)CC2 ZINC001279479473 1043164710 /nfs/dbraw/zinc/16/47/10/1043164710.db2.gz VWIVTPALYRSCTR-UHFFFAOYSA-N 1 3 351.485 2.857 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(CCc1c(F)cccc1F)CC2 ZINC001279479473 1043164714 /nfs/dbraw/zinc/16/47/14/1043164714.db2.gz VWIVTPALYRSCTR-UHFFFAOYSA-N 1 3 351.485 2.857 20 0 FFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]C[C@H]4CCCN(C)C4)(C2)CCC3)n(C)n1 ZINC001279502130 1043195795 /nfs/dbraw/zinc/19/57/95/1043195795.db2.gz MWOKYXFCXNLSLW-NRSPTQNISA-N 1 3 359.562 2.595 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C[C@H]1CCC[N@H+](C)C1 ZINC001279501967 1043197519 /nfs/dbraw/zinc/19/75/19/1043197519.db2.gz LOYTUJMGXVFZOP-XSDIEEQYSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C[C@H]1CCC[N@@H+](C)C1 ZINC001279501967 1043197523 /nfs/dbraw/zinc/19/75/23/1043197523.db2.gz LOYTUJMGXVFZOP-XSDIEEQYSA-N 1 3 351.579 2.930 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1c[nH]c(Br)c1)C2 ZINC001279504616 1043198158 /nfs/dbraw/zinc/19/81/58/1043198158.db2.gz HZMSQBSPDHKYRC-KRWDZBQOSA-N 1 3 369.351 2.627 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@]23CC[C@@](NCc4cccc(=O)[nH]4)(C2)CCC3)[nH]1 ZINC001279546097 1043241341 /nfs/dbraw/zinc/24/13/41/1043241341.db2.gz UMXWQDBWXHUXGF-UXHICEINSA-N 1 3 355.486 2.852 20 0 FFADHO Cc1nc(C)c(CN[C@@]23CC[C@@]([NH2+]Cc4cccc(=O)[nH]4)(C2)CCC3)[nH]1 ZINC001279546097 1043241349 /nfs/dbraw/zinc/24/13/49/1043241349.db2.gz UMXWQDBWXHUXGF-UXHICEINSA-N 1 3 355.486 2.852 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC2(CN(C(=O)Cc3ccsc3)C2)CC1 ZINC001279591616 1043304573 /nfs/dbraw/zinc/30/45/73/1043304573.db2.gz JUOVHIKMFGZVFL-UHFFFAOYSA-N 1 3 363.571 2.803 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001279645643 1043394101 /nfs/dbraw/zinc/39/41/01/1043394101.db2.gz QBIUHYAYRGTDNY-UHFFFAOYSA-N 1 3 352.482 2.928 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3ccc(Cl)nc3F)C[C@H]2CC1 ZINC001279669783 1043437846 /nfs/dbraw/zinc/43/78/46/1043437846.db2.gz RMJXYDAPZLWLBI-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)nc3F)C[C@H]2CC1 ZINC001279669783 1043437854 /nfs/dbraw/zinc/43/78/54/1043437854.db2.gz RMJXYDAPZLWLBI-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO COc1cc(O)ccc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001279679588 1043455811 /nfs/dbraw/zinc/45/58/11/1043455811.db2.gz KPABIJUETIMERM-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO COc1cc(O)ccc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001279679588 1043455817 /nfs/dbraw/zinc/45/58/17/1043455817.db2.gz KPABIJUETIMERM-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(Cc2ccc(Cl)cc2)C3)CC1 ZINC001279741094 1043566814 /nfs/dbraw/zinc/56/68/14/1043566814.db2.gz IDCOCGUTBWVCBN-OXQOHEQNSA-N 1 3 361.917 2.715 20 0 FFADHO C[NH+](C)Cc1ccccc1N1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001279763104 1043605651 /nfs/dbraw/zinc/60/56/51/1043605651.db2.gz QSYOPDLBFCETRZ-NRFANRHFSA-N 1 3 353.514 2.964 20 0 FFADHO Cc1ccc(Cl)c(CN2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)c1 ZINC001238565947 1043770805 /nfs/dbraw/zinc/77/08/05/1043770805.db2.gz WPLKOPCALWVZTC-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO C[NH+]1CCC(NC(=O)C23CC(NCc4cc(F)ccc4Cl)(C2)C3)CC1 ZINC001280000406 1044067186 /nfs/dbraw/zinc/06/71/86/1044067186.db2.gz BZOWJKQWTQJDTL-UHFFFAOYSA-N 1 3 365.880 2.702 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc(Cl)c1Cl ZINC001239214777 1044071756 /nfs/dbraw/zinc/07/17/56/1044071756.db2.gz HRPRFIHTAFHVNP-LLVKDONJSA-N 1 3 357.285 2.989 20 0 FFADHO NCCC[NH2+]CCCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001239252573 1044085941 /nfs/dbraw/zinc/08/59/41/1044085941.db2.gz HEICSODQFNQFCW-UHFFFAOYSA-N 1 3 352.788 2.809 20 0 FFADHO FC(F)(F)c1ccccc1NC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239362138 1044104267 /nfs/dbraw/zinc/10/42/67/1044104267.db2.gz FUZLRCSZBXNEGC-GFCCVEGCSA-N 1 3 372.460 2.866 20 0 FFADHO Cc1ccc(C2(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2)c(C)c1 ZINC001312772294 1044168930 /nfs/dbraw/zinc/16/89/30/1044168930.db2.gz BVXGFBSPZDRQKS-IBGZPJMESA-N 1 3 374.573 2.906 20 0 FFADHO Cc1ccc(C2(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2)c(C)c1 ZINC001312772294 1044168936 /nfs/dbraw/zinc/16/89/36/1044168936.db2.gz BVXGFBSPZDRQKS-IBGZPJMESA-N 1 3 374.573 2.906 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001313005277 1044208528 /nfs/dbraw/zinc/20/85/28/1044208528.db2.gz YOYLVAXOWCDRRO-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC001313005277 1044208538 /nfs/dbraw/zinc/20/85/38/1044208538.db2.gz YOYLVAXOWCDRRO-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1cccc(CCN2CC[C@@H]3C[C@@]32C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC001280148529 1044303749 /nfs/dbraw/zinc/30/37/49/1044303749.db2.gz JIYDQBXNNWNIHQ-KNQAVFIVSA-N 1 3 355.526 2.555 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c(CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001313451254 1044367235 /nfs/dbraw/zinc/36/72/35/1044367235.db2.gz UFGIUIZAXNWFLC-SQNIBIBYSA-N 1 3 362.566 2.634 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c(CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001313451254 1044367239 /nfs/dbraw/zinc/36/72/39/1044367239.db2.gz UFGIUIZAXNWFLC-SQNIBIBYSA-N 1 3 362.566 2.634 20 0 FFADHO C[C@@H](CN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)c1ccccc1 ZINC001280192909 1044380924 /nfs/dbraw/zinc/38/09/24/1044380924.db2.gz FMLZYGQCASFJEC-PXNSSMCTSA-N 1 3 355.526 2.665 20 0 FFADHO Cc1cc(-c2ccc(C3(N4CCN(C)CC4)CC3)cc2)nc2c1C[NH2+]CC2 ZINC001240567500 1044388009 /nfs/dbraw/zinc/38/80/09/1044388009.db2.gz ILTSEONRXVMEGJ-UHFFFAOYSA-N 1 3 362.521 2.939 20 0 FFADHO CC(C)Oc1cncc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001280336396 1044626472 /nfs/dbraw/zinc/62/64/72/1044626472.db2.gz DVYXZHQOWNUCTP-RTWAWAEBSA-N 1 3 360.546 2.955 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1)[NH+](CC)CC ZINC001316756114 1044912320 /nfs/dbraw/zinc/91/23/20/1044912320.db2.gz AMLFAVMLAFQERB-OWCLPIDISA-N 1 3 363.468 2.840 20 0 FFADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1ccccc1OCC(=O)N(C)C ZINC001319198397 1045063975 /nfs/dbraw/zinc/06/39/75/1045063975.db2.gz CUAAPGREWBWZGZ-HKUYNNGSSA-N 1 3 361.530 2.926 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001320741540 1045459757 /nfs/dbraw/zinc/45/97/57/1045459757.db2.gz JENHETWXMYKQIZ-KRWDZBQOSA-N 1 3 361.530 2.644 20 0 FFADHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc(CO)c1 ZINC001323475311 1045605256 /nfs/dbraw/zinc/60/52/56/1045605256.db2.gz DLLPPZWQLPNJGL-SFHVURJKSA-N 1 3 353.510 2.777 20 0 FFADHO Cc1nn(CCO)c(C)c1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001326200933 1046806094 /nfs/dbraw/zinc/80/60/94/1046806094.db2.gz FXDUBMCBFZXPFN-UNMCSNQZSA-N 1 3 370.541 2.664 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001326297965 1046858977 /nfs/dbraw/zinc/85/89/77/1046858977.db2.gz FJISUCOAPYSQFX-UHFFFAOYSA-N 1 3 363.505 2.989 20 0 FFADHO O=C(NCCN1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001540793596 1070997537 /nfs/dbraw/zinc/99/75/37/1070997537.db2.gz SXSYFCGAXPWNLQ-FQEVSTJZSA-N 1 3 355.526 2.891 20 0 FFADHO O=C(NCCN1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001540793596 1070997547 /nfs/dbraw/zinc/99/75/47/1070997547.db2.gz SXSYFCGAXPWNLQ-FQEVSTJZSA-N 1 3 355.526 2.891 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001329443257 1048720075 /nfs/dbraw/zinc/72/00/75/1048720075.db2.gz YIJFPRHLLZFVCL-YTQUADARSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccc(OC)c(C)c2)CC[N@H+]1C ZINC001329443257 1048720089 /nfs/dbraw/zinc/72/00/89/1048720089.db2.gz YIJFPRHLLZFVCL-YTQUADARSA-N 1 3 361.530 2.670 20 0 FFADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)Cc1ccccc1 ZINC001333664779 1049040017 /nfs/dbraw/zinc/04/00/17/1049040017.db2.gz AKZLPANBPVLHIE-WOZUAGRISA-N 1 3 372.557 2.531 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)N(C)C)cc1 ZINC001333698284 1049063242 /nfs/dbraw/zinc/06/32/42/1049063242.db2.gz UXIMABCJKLEVEX-BURNTYAHSA-N 1 3 372.557 2.969 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NC/C(Cl)=C/Cl)C1)[NH+](C)C ZINC001316660115 1050050590 /nfs/dbraw/zinc/05/05/90/1050050590.db2.gz GIHYFJGEXTXYQS-MTDVDMOXSA-N 1 3 350.334 2.766 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001296392553 1050056057 /nfs/dbraw/zinc/05/60/57/1050056057.db2.gz HEVLHNNKULKANM-RBUKOAKNSA-N 1 3 361.530 2.706 20 0 FFADHO O=C(N1CCN(CC2CCCCC2)CC1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001341647245 1050272755 /nfs/dbraw/zinc/27/27/55/1050272755.db2.gz UFAAAHHHUMAXBN-UHFFFAOYSA-N 1 3 361.452 2.643 20 0 FFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)c1 ZINC001341744094 1050362491 /nfs/dbraw/zinc/36/24/91/1050362491.db2.gz VXAFWRDIWVIHMK-SFHVURJKSA-N 1 3 366.465 2.521 20 0 FFADHO c1ccc(CN2C[C@H]3CC[C@@H](C2)C3[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1 ZINC001340147558 1050551436 /nfs/dbraw/zinc/55/14/36/1050551436.db2.gz VEZHTLIHIVDOQH-IHASJPSXSA-N 1 3 369.553 2.740 20 0 FFADHO CCCN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CCN(Cc2ccccc2)CC1 ZINC001342169177 1050762254 /nfs/dbraw/zinc/76/22/54/1050762254.db2.gz LTQLWUVOAYPNRR-ROUUACIJSA-N 1 3 365.468 2.730 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001342413864 1051009577 /nfs/dbraw/zinc/00/95/77/1051009577.db2.gz DXEWCIWDKIXSKM-ZIAGYGMSSA-N 1 3 355.486 2.841 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc2c(c1)OCCNC2 ZINC001340788785 1051135096 /nfs/dbraw/zinc/13/50/96/1051135096.db2.gz GOPLXZAXDNDIAV-UHFFFAOYSA-N 1 3 365.477 2.694 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001340873996 1051207608 /nfs/dbraw/zinc/20/76/08/1051207608.db2.gz WRNPDSBRKBQLBI-INIZCTEOSA-N 1 3 369.431 2.699 20 0 FFADHO C[NH+](C)CC[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001303479685 1051363192 /nfs/dbraw/zinc/36/31/92/1051363192.db2.gz ZAJNUKVJZCTPBT-HKUYNNGSSA-N 1 3 361.505 2.838 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)C1 ZINC001342875844 1051484689 /nfs/dbraw/zinc/48/46/89/1051484689.db2.gz OTJPROLDEMWSOH-IPMKNSEASA-N 1 3 371.525 2.617 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)C1 ZINC001342875844 1051484692 /nfs/dbraw/zinc/48/46/92/1051484692.db2.gz OTJPROLDEMWSOH-IPMKNSEASA-N 1 3 371.525 2.617 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cc(Cl)n1 ZINC001345189756 1052310431 /nfs/dbraw/zinc/31/04/31/1052310431.db2.gz AENFCFYCRCDDGY-PBHICJAKSA-N 1 3 372.900 2.988 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc(Br)ccc3F)C2)CC1 ZINC001308258787 1052438583 /nfs/dbraw/zinc/43/85/83/1052438583.db2.gz PYAGZWMMYNYMJZ-OAHLLOKOSA-N 1 3 370.310 2.846 20 0 FFADHO O=C(CN[C@@H]1CCc2cccc(Cl)c2C1)NCC[NH+]1CCCCCC1 ZINC001308791963 1052499973 /nfs/dbraw/zinc/49/99/73/1052499973.db2.gz FZPGPXSAKNXNLW-QGZVFWFLSA-N 1 3 363.933 2.779 20 0 FFADHO CCN(C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001336177352 1053818068 /nfs/dbraw/zinc/81/80/68/1053818068.db2.gz WWEVZWXHRWSHFQ-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC2)C[C@@H]1C(F)(F)F ZINC001336752021 1054194080 /nfs/dbraw/zinc/19/40/80/1054194080.db2.gz ZUNZVXFPGVTPPO-KFWWJZLASA-N 1 3 350.425 2.972 20 0 FFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC001349487505 1055291629 /nfs/dbraw/zinc/29/16/29/1055291629.db2.gz PFASDOZGADQGAG-HXUWFJFHSA-N 1 3 355.526 2.952 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1ccc(Cl)c(F)c1 ZINC001338504271 1055575067 /nfs/dbraw/zinc/57/50/67/1055575067.db2.gz COVQVADIQIOSLD-SFHVURJKSA-N 1 3 356.869 2.746 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1ccc(F)cc1Cl ZINC001356621622 1055620305 /nfs/dbraw/zinc/62/03/05/1055620305.db2.gz LAPHIABKJLAXLD-SFHVURJKSA-N 1 3 356.869 2.746 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001352677432 1055707759 /nfs/dbraw/zinc/70/77/59/1055707759.db2.gz RMQQEBCFKPFPCU-SCTDSRPQSA-N 1 3 372.561 2.560 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001352677432 1055707767 /nfs/dbraw/zinc/70/77/67/1055707767.db2.gz RMQQEBCFKPFPCU-SCTDSRPQSA-N 1 3 372.561 2.560 20 0 FFADHO C[NH2+]CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)C(C)C ZINC001357417381 1055897247 /nfs/dbraw/zinc/89/72/47/1055897247.db2.gz HTWRIZXYSVKHHK-KRWDZBQOSA-N 1 3 352.548 2.651 20 0 FFADHO COC1CCN(C2(CNC(=[NH2+])NCCc3ccccc3)CCCC2)CC1 ZINC000849101670 1056760157 /nfs/dbraw/zinc/76/01/57/1056760157.db2.gz BBYUXNNFAXYRSZ-UHFFFAOYSA-N 1 3 358.530 2.767 20 0 FFADHO S=C(NCCN1CCCCC1)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001200444812 1058202255 /nfs/dbraw/zinc/20/22/55/1058202255.db2.gz QHMCYEGSBACXJU-GOSISDBHSA-N 1 3 364.603 2.757 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1nc(C(C)(C)C)cs1 ZINC001503208351 1058994125 /nfs/dbraw/zinc/99/41/25/1058994125.db2.gz UIHWMDPNTCUKQT-RRFJBIMHSA-N 1 3 366.575 2.765 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1nc(C(C)(C)C)cs1 ZINC001503208351 1058994136 /nfs/dbraw/zinc/99/41/36/1058994136.db2.gz UIHWMDPNTCUKQT-RRFJBIMHSA-N 1 3 366.575 2.765 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001515814103 1059814190 /nfs/dbraw/zinc/81/41/90/1059814190.db2.gz QCBPPIZWZCCTIX-SQNIBIBYSA-N 1 3 370.545 2.814 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001515820421 1059815235 /nfs/dbraw/zinc/81/52/35/1059815235.db2.gz CWLARHKFWVDQQK-ROUUACIJSA-N 1 3 374.577 2.635 20 0 FFADHO CC(C)[N@H+](C)CCCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001509515603 1060091779 /nfs/dbraw/zinc/09/17/79/1060091779.db2.gz VTYSFLNGSWTTCA-UHFFFAOYSA-N 1 3 374.577 2.950 20 0 FFADHO CC(C)[N@@H+](C)CCCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001509515603 1060091799 /nfs/dbraw/zinc/09/17/99/1060091799.db2.gz VTYSFLNGSWTTCA-UHFFFAOYSA-N 1 3 374.577 2.950 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001456796779 1060199811 /nfs/dbraw/zinc/19/98/11/1060199811.db2.gz KFILEJAATXUFQB-VQTJNVASSA-N 1 3 355.526 2.889 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001456796779 1060199822 /nfs/dbraw/zinc/19/98/22/1060199822.db2.gz KFILEJAATXUFQB-VQTJNVASSA-N 1 3 355.526 2.889 20 0 FFADHO Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[C@H]([NH3+])CCO3)N2CCCC2)cc1 ZINC001521463710 1060603524 /nfs/dbraw/zinc/60/35/24/1060603524.db2.gz MPAIVHDUKYTLTH-FGNUKQJGSA-N 1 3 371.525 2.535 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC[C@H]3O)C2)ccn1 ZINC001460506302 1061007629 /nfs/dbraw/zinc/00/76/29/1061007629.db2.gz NFJUWRLUPKEOCK-DUXKGJEZSA-N 1 3 361.530 2.926 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC[C@H]3O)C2)ccn1 ZINC001460506302 1061007646 /nfs/dbraw/zinc/00/76/46/1061007646.db2.gz NFJUWRLUPKEOCK-DUXKGJEZSA-N 1 3 361.530 2.926 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001477627406 1061759323 /nfs/dbraw/zinc/75/93/23/1061759323.db2.gz WNKCSSMQEYEWOL-LJQANCHMSA-N 1 3 358.530 2.607 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC001477627406 1061759335 /nfs/dbraw/zinc/75/93/35/1061759335.db2.gz WNKCSSMQEYEWOL-LJQANCHMSA-N 1 3 358.530 2.607 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001477865232 1061822126 /nfs/dbraw/zinc/82/21/26/1061822126.db2.gz JLIZXLSACSYOML-PMACEKPBSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001477865232 1061822151 /nfs/dbraw/zinc/82/21/51/1061822151.db2.gz JLIZXLSACSYOML-PMACEKPBSA-N 1 3 358.530 2.743 20 0 FFADHO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)CCCN(C)C ZINC001462892083 1061825074 /nfs/dbraw/zinc/82/50/74/1061825074.db2.gz OHXSMHDHIRXJRX-UHFFFAOYSA-N 1 3 361.596 2.679 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CC2)N(C)C)cc1 ZINC001477892334 1061831223 /nfs/dbraw/zinc/83/12/23/1061831223.db2.gz FNGZUBYODQRLFQ-FQEVSTJZSA-N 1 3 360.546 2.881 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC001477892334 1061831233 /nfs/dbraw/zinc/83/12/33/1061831233.db2.gz FNGZUBYODQRLFQ-FQEVSTJZSA-N 1 3 360.546 2.881 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCN(C)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC001478236598 1061950466 /nfs/dbraw/zinc/95/04/66/1061950466.db2.gz WLISGWQAIJZZOC-HNBVOPMISA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCN(C)[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC001478236598 1061950489 /nfs/dbraw/zinc/95/04/89/1061950489.db2.gz WLISGWQAIJZZOC-HNBVOPMISA-N 1 3 358.530 2.679 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001478395021 1061999036 /nfs/dbraw/zinc/99/90/36/1061999036.db2.gz UJLWXCJNPMUZIP-NLWGTHIKSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001478395021 1061999064 /nfs/dbraw/zinc/99/90/64/1061999064.db2.gz UJLWXCJNPMUZIP-NLWGTHIKSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001478604879 1062063796 /nfs/dbraw/zinc/06/37/96/1062063796.db2.gz LUQHNALSHRJXDZ-SWLSCSKDSA-N 1 3 360.424 2.557 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC001479474141 1062447450 /nfs/dbraw/zinc/44/74/50/1062447450.db2.gz CPHQMANLSFOYFK-NRFANRHFSA-N 1 3 374.573 2.924 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001479474141 1062447456 /nfs/dbraw/zinc/44/74/56/1062447456.db2.gz CPHQMANLSFOYFK-NRFANRHFSA-N 1 3 374.573 2.924 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001479478229 1062455528 /nfs/dbraw/zinc/45/55/28/1062455528.db2.gz ZIZKRFFIXKEYGX-RHSMWYFYSA-N 1 3 352.910 2.584 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC001479478229 1062455535 /nfs/dbraw/zinc/45/55/35/1062455535.db2.gz ZIZKRFFIXKEYGX-RHSMWYFYSA-N 1 3 352.910 2.584 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001479718932 1062905779 /nfs/dbraw/zinc/90/57/79/1062905779.db2.gz VKMQIBVETUXQGK-FUHIMQAGSA-N 1 3 371.541 2.593 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001479718932 1062905801 /nfs/dbraw/zinc/90/58/01/1062905801.db2.gz VKMQIBVETUXQGK-FUHIMQAGSA-N 1 3 371.541 2.593 20 0 FFADHO CCCN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC001469351266 1064134302 /nfs/dbraw/zinc/13/43/02/1064134302.db2.gz OSNCBWFXVOMXJF-LEWJYISDSA-N 1 3 357.542 2.884 20 0 FFADHO CCCN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC001469351266 1064134304 /nfs/dbraw/zinc/13/43/04/1064134304.db2.gz OSNCBWFXVOMXJF-LEWJYISDSA-N 1 3 357.542 2.884 20 0 FFADHO CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001470011575 1064242221 /nfs/dbraw/zinc/24/22/21/1064242221.db2.gz WWGPPILECJMBHS-AZUAARDMSA-N 1 3 361.505 2.980 20 0 FFADHO CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC001470011575 1064242231 /nfs/dbraw/zinc/24/22/31/1064242231.db2.gz WWGPPILECJMBHS-AZUAARDMSA-N 1 3 361.505 2.980 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001470073230 1064252879 /nfs/dbraw/zinc/25/28/79/1064252879.db2.gz NGDVXDMFIOZUSH-UXHICEINSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001470073230 1064252884 /nfs/dbraw/zinc/25/28/84/1064252884.db2.gz NGDVXDMFIOZUSH-UXHICEINSA-N 1 3 357.542 2.930 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001471687789 1064758552 /nfs/dbraw/zinc/75/85/52/1064758552.db2.gz VZVQDJARXKOGCR-YSIASYRMSA-N 1 3 359.489 2.733 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001471687789 1064758567 /nfs/dbraw/zinc/75/85/67/1064758567.db2.gz VZVQDJARXKOGCR-YSIASYRMSA-N 1 3 359.489 2.733 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001575423278 1078139593 /nfs/dbraw/zinc/13/95/93/1078139593.db2.gz RFFKAVMRTBSWFB-TZIWHRDSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@](CO)(NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1cc(Cl)cc(Cl)c1 ZINC001576036359 1078189093 /nfs/dbraw/zinc/18/90/93/1078189093.db2.gz IMIAFVVWJGABEY-BRWVUGGUSA-N 1 3 359.297 2.559 20 0 FFADHO CCC[C@H]1CNCCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001577383823 1078346397 /nfs/dbraw/zinc/34/63/97/1078346397.db2.gz QNAQZJWRDUGSFB-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CCC[NH2+]CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001577561656 1078376634 /nfs/dbraw/zinc/37/66/34/1078376634.db2.gz HEDXZAMXEOXHGQ-JKSUJKDBSA-N 1 3 374.533 2.765 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001577883752 1078410579 /nfs/dbraw/zinc/41/05/79/1078410579.db2.gz IUNIYJZOWSGLOJ-QGZVFWFLSA-N 1 3 354.498 2.663 20 0 FFADHO C[NH2+]CCCCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001578683262 1078516662 /nfs/dbraw/zinc/51/66/62/1078516662.db2.gz MORSJWGCKQSUDG-UHFFFAOYSA-N 1 3 359.436 2.985 20 0 FFADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC001578789957 1078529917 /nfs/dbraw/zinc/52/99/17/1078529917.db2.gz QOAREGBMMVORBO-URTLRTLISA-N 1 3 360.473 2.696 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)N2CCCC2)cc1 ZINC001579666775 1078659336 /nfs/dbraw/zinc/65/93/36/1078659336.db2.gz AKQYWFPCSDZCPB-ZVDOUQERSA-N 1 3 356.514 2.573 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)cc1 ZINC001579691395 1078663398 /nfs/dbraw/zinc/66/33/98/1078663398.db2.gz ZQEMAXHPKIOCNX-UXHICEINSA-N 1 3 355.457 2.567 20 0 FFADHO N[C@H](C[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)CC(F)F ZINC001580131235 1078753600 /nfs/dbraw/zinc/75/36/00/1078753600.db2.gz BTJRJTQDBKDUTI-KBPBESRZSA-N 1 3 351.363 2.852 20 0 FFADHO [NH3+][C@H](CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)CC(F)F ZINC001580131235 1078753605 /nfs/dbraw/zinc/75/36/05/1078753605.db2.gz BTJRJTQDBKDUTI-KBPBESRZSA-N 1 3 351.363 2.852 20 0 FFADHO [NH3+]Cc1cccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC001580341074 1078788907 /nfs/dbraw/zinc/78/89/07/1078788907.db2.gz QQNYTRQPUNFIAW-UHFFFAOYSA-N 1 3 355.404 2.680 20 0 FFADHO c1c(CN[C@@H](CN2CCOCC2)c2ccccc2)sc2c1C[NH2+]CC2 ZINC001580892433 1078887763 /nfs/dbraw/zinc/88/77/63/1078887763.db2.gz UFZFMWPQCPGVEQ-IBGZPJMESA-N 1 3 357.523 2.557 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001548829079 1073453620 /nfs/dbraw/zinc/45/36/20/1073453620.db2.gz UONCXCHUYVDCIK-XFIJJGBISA-N 1 3 354.498 2.750 20 0 FFADHO CCN1C(=O)C[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)[C@@H]1c1cccnc1 ZINC001549038801 1073607490 /nfs/dbraw/zinc/60/74/90/1073607490.db2.gz YTBLYSFBJONYJK-PXNSSMCTSA-N 1 3 358.530 2.844 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550423246 1074262323 /nfs/dbraw/zinc/26/23/23/1074262323.db2.gz JXZIGKVUOLGGRV-NEPXVJNWSA-N 1 3 352.906 2.918 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550423246 1074262327 /nfs/dbraw/zinc/26/23/27/1074262327.db2.gz JXZIGKVUOLGGRV-NEPXVJNWSA-N 1 3 352.906 2.918 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(Cl)c(F)c3)C2)[C@H]1C(C)C ZINC001550423399 1074262915 /nfs/dbraw/zinc/26/29/15/1074262915.db2.gz MMSQHZAWEBSERY-CUSZFKRNSA-N 1 3 355.885 2.834 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(Cl)c(F)c3)C2)[C@H]1C(C)C ZINC001550423399 1074262919 /nfs/dbraw/zinc/26/29/19/1074262919.db2.gz MMSQHZAWEBSERY-CUSZFKRNSA-N 1 3 355.885 2.834 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCc3cccc(C[NH3+])c3)C2)cc1 ZINC001550753593 1074456851 /nfs/dbraw/zinc/45/68/51/1074456851.db2.gz ZDLUDDFFSCAOLQ-FQEVSTJZSA-N 1 3 352.482 2.527 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCC4(C[C@@H]4[NH3+])CC3)C2)cc1 ZINC001550750821 1074456994 /nfs/dbraw/zinc/45/69/94/1074456994.db2.gz MDFWGFOYCLLFAL-LSNYBQGISA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccc(F)cc3)C[N@@H+]2C1 ZINC001584084523 1079303793 /nfs/dbraw/zinc/30/37/93/1079303793.db2.gz OCZLLQAVYUTGFE-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccc(F)cc3)C[N@H+]2C1 ZINC001584084523 1079303800 /nfs/dbraw/zinc/30/38/00/1079303800.db2.gz OCZLLQAVYUTGFE-KPFFTGBYSA-N 1 3 361.505 2.836 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001551391290 1074711951 /nfs/dbraw/zinc/71/19/51/1074711951.db2.gz QJVKBYJBECETOM-UHFFFAOYSA-N 1 3 364.452 2.846 20 0 FFADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cccc(-n2cnnc2)c1 ZINC001551401210 1074718722 /nfs/dbraw/zinc/71/87/22/1074718722.db2.gz QWDMGPCBDXSMBU-FQVISZRSSA-N 1 3 369.513 2.951 20 0 FFADHO CN(C(=O)NC1CCC2(C[C@H]2[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001551548227 1074752311 /nfs/dbraw/zinc/75/23/11/1074752311.db2.gz HACZRXHZJPWDMT-KYBDOYODSA-N 1 3 356.514 2.562 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552149817 1075003210 /nfs/dbraw/zinc/00/32/10/1075003210.db2.gz IPWLVKVNOXZZQG-RTWAWAEBSA-N 1 3 355.526 2.665 20 0 FFADHO CN(C(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001552156081 1075005607 /nfs/dbraw/zinc/00/56/07/1075005607.db2.gz ULPNFWHTFUTUKE-PWRODBHTSA-N 1 3 355.526 2.745 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)s1 ZINC001552346839 1075063166 /nfs/dbraw/zinc/06/31/66/1075063166.db2.gz PZDHQPIGIIFGDR-KRWDZBQOSA-N 1 3 364.559 2.729 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC001553560038 1075331431 /nfs/dbraw/zinc/33/14/31/1075331431.db2.gz WXURCEKKHAXDBV-MRXNPFEDSA-N 1 3 364.559 2.731 20 0 FFADHO C[NH+](C)Cc1ccc(-c2noc(-c3cnc([C@H]4CCCN4)nc3)n2)cc1 ZINC001554094298 1075599770 /nfs/dbraw/zinc/59/97/70/1075599770.db2.gz UQCQRVCOFMWEOQ-MRXNPFEDSA-N 1 3 350.426 2.680 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CCCCN2C2CCCC2)C[C@@H]1[NH+]1CCCC1 ZINC001556103928 1075701226 /nfs/dbraw/zinc/70/12/26/1075701226.db2.gz GQIWOESCWJIKSS-CEXWTWQISA-N 1 3 365.587 2.822 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCc3ccccc3NC2=O)CC1 ZINC001560909251 1076309451 /nfs/dbraw/zinc/30/94/51/1076309451.db2.gz OPGICJPQSKVSBR-MOMVYJMYSA-N 1 3 357.498 2.563 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)N(C)CCCN(C)Cc2ccncc2)CC1 ZINC001570032373 1077178085 /nfs/dbraw/zinc/17/80/85/1077178085.db2.gz PGABAVMCFGLOER-UHFFFAOYSA-N 1 3 360.546 2.730 20 0 FFADHO CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1F)CC1CC[NH+](C)CC1 ZINC001589626256 1080640157 /nfs/dbraw/zinc/64/01/57/1080640157.db2.gz RGJWWOSESGZNOO-UHFFFAOYSA-N 1 3 360.481 2.806 20 0 FFADHO CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1F)CC1CC[NH+](C)CC1 ZINC001589626256 1080640163 /nfs/dbraw/zinc/64/01/63/1080640163.db2.gz RGJWWOSESGZNOO-UHFFFAOYSA-N 1 3 360.481 2.806 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CN(C4CC4)CCO2)C3)cc1 ZINC000377081089 512114529 /nfs/dbraw/zinc/11/45/29/512114529.db2.gz HPPHKLVDCNAPIY-UVUJQTEASA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CN(C4CC4)CCO2)C3)cc1 ZINC000377081089 512114532 /nfs/dbraw/zinc/11/45/32/512114532.db2.gz HPPHKLVDCNAPIY-UVUJQTEASA-N 1 3 355.526 2.635 20 0 FFADHO Brc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc2c1OCO2 ZINC000030907019 249359184 /nfs/dbraw/zinc/35/91/84/249359184.db2.gz IETZANLVDZMWPW-NSHDSACASA-N 1 3 353.260 2.752 20 0 FFADHO C[NH+](C)CCc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000120080034 250544240 /nfs/dbraw/zinc/54/42/40/250544240.db2.gz RNIXOWKTKMQRJX-UHFFFAOYSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000175505316 251220795 /nfs/dbraw/zinc/22/07/95/251220795.db2.gz WLQCQWSQHNQGJS-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CSCC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000272437537 252037523 /nfs/dbraw/zinc/03/75/23/252037523.db2.gz KNCWPMLOHJESSR-JQHSSLGASA-N 1 3 351.560 2.949 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272698210 252106453 /nfs/dbraw/zinc/10/64/53/252106453.db2.gz YCYODZZECAZHHI-XLIONFOSSA-N 1 3 359.514 2.573 20 0 FFADHO CN(C)CCOc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000272775076 252127486 /nfs/dbraw/zinc/12/74/86/252127486.db2.gz YENSLUSVFHVAKE-UHFFFAOYSA-N 1 3 360.527 2.842 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000273001748 252186885 /nfs/dbraw/zinc/18/68/85/252186885.db2.gz RISWSBWXQDCGLD-RXVVDRJESA-N 1 3 370.541 2.943 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000273001748 252186887 /nfs/dbraw/zinc/18/68/87/252186887.db2.gz RISWSBWXQDCGLD-RXVVDRJESA-N 1 3 370.541 2.943 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000273484863 252315537 /nfs/dbraw/zinc/31/55/37/252315537.db2.gz ULNKWDNJJIZIIY-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(OCCN(C)C)c3)CC2)n[nH]1 ZINC000275886514 256056509 /nfs/dbraw/zinc/05/65/09/256056509.db2.gz LFWJTDXANANUJI-QGZVFWFLSA-N 1 3 371.529 2.978 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000276192219 256080173 /nfs/dbraw/zinc/08/01/73/256080173.db2.gz HPCMDMCPAGTOQF-AZUAARDMSA-N 1 3 360.546 2.880 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cccc(Br)c1 ZINC000277180503 256169595 /nfs/dbraw/zinc/16/95/95/256169595.db2.gz TUVGPXVWSIVPGF-SZMVWBNQSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cccc(Br)c1 ZINC000277180503 256169597 /nfs/dbraw/zinc/16/95/97/256169597.db2.gz TUVGPXVWSIVPGF-SZMVWBNQSA-N 1 3 367.331 2.817 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000287972561 257134702 /nfs/dbraw/zinc/13/47/02/257134702.db2.gz JENSMUQZGBYJCS-CMZZOHRZSA-N 1 3 370.541 2.916 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000287972561 257134704 /nfs/dbraw/zinc/13/47/04/257134704.db2.gz JENSMUQZGBYJCS-CMZZOHRZSA-N 1 3 370.541 2.916 20 0 FFADHO C[N@H+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)Cc1ccccc1 ZINC000289033789 257249910 /nfs/dbraw/zinc/24/99/10/257249910.db2.gz HEOAJJQODBOYHZ-PMACEKPBSA-N 1 3 366.461 2.929 20 0 FFADHO C[N@@H+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)Cc1ccccc1 ZINC000289033789 257249911 /nfs/dbraw/zinc/24/99/11/257249911.db2.gz HEOAJJQODBOYHZ-PMACEKPBSA-N 1 3 366.461 2.929 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000289745423 257296808 /nfs/dbraw/zinc/29/68/08/257296808.db2.gz MHTZHYXDGGUSGN-OAHLLOKOSA-N 1 3 369.351 2.912 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CC[NH2+][C@@H]3C(C)C)CC2)cc1 ZINC000289602103 257289603 /nfs/dbraw/zinc/28/96/03/257289603.db2.gz BQBVGKCTAUUPQT-LEWJYISDSA-N 1 3 373.541 2.658 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+]Cc3c[nH]c4nccnc34)CC2)cc1 ZINC000290798518 257358278 /nfs/dbraw/zinc/35/82/78/257358278.db2.gz DVJBMXMZKJUYQH-UHFFFAOYSA-N 1 3 365.481 2.968 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[C@@H]1[NH3+] ZINC000332534453 258234097 /nfs/dbraw/zinc/23/40/97/258234097.db2.gz SKIMFWLPTIOBDV-NEWSRXKRSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333118338 258251016 /nfs/dbraw/zinc/25/10/16/258251016.db2.gz ADORNJXHZCRBSF-IAGOWNOFSA-N 1 3 368.591 2.507 20 0 FFADHO C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000261961175 510128475 /nfs/dbraw/zinc/12/84/75/510128475.db2.gz ORANALVVGOMHSY-KGLIPLIRSA-N 1 3 368.319 2.687 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)N(C)C)cc1 ZINC000065468375 506305193 /nfs/dbraw/zinc/30/51/93/506305193.db2.gz KQOPGAWEHWHSLR-FQEVSTJZSA-N 1 3 360.546 2.971 20 0 FFADHO CC(=O)N1CC[C@@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2C1 ZINC000366790129 512188356 /nfs/dbraw/zinc/18/83/56/512188356.db2.gz KBQDEXPIZVHUPO-LAUBAEHRSA-N 1 3 359.514 2.570 20 0 FFADHO CC(=O)N1CC[C@@H](NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2C1 ZINC000366790129 512188357 /nfs/dbraw/zinc/18/83/57/512188357.db2.gz KBQDEXPIZVHUPO-LAUBAEHRSA-N 1 3 359.514 2.570 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000375245574 512229647 /nfs/dbraw/zinc/22/96/47/512229647.db2.gz NLIHOMJCWPVXLB-UHFFFAOYSA-N 1 3 367.578 2.848 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000375328171 512270112 /nfs/dbraw/zinc/27/01/12/512270112.db2.gz SSUONAYGRSNJKH-VXKWHMMOSA-N 1 3 357.542 2.838 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000066187344 506441701 /nfs/dbraw/zinc/44/17/01/506441701.db2.gz XQJRDXAMUVRYDZ-LJQANCHMSA-N 1 3 360.546 2.675 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000066190966 506444007 /nfs/dbraw/zinc/44/40/07/506444007.db2.gz IQVPAADUUMSDRR-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000066190966 506444016 /nfs/dbraw/zinc/44/40/16/506444016.db2.gz IQVPAADUUMSDRR-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000042929589 506680697 /nfs/dbraw/zinc/68/06/97/506680697.db2.gz RQBVWYPPNPNMIG-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000042929589 506680702 /nfs/dbraw/zinc/68/07/02/506680702.db2.gz RQBVWYPPNPNMIG-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO COc1cc(C[NH2+]C[C@@H](O)CN2CCCC2)c(-c2ccccc2)cc1OC ZINC000067718385 506989630 /nfs/dbraw/zinc/98/96/30/506989630.db2.gz MZVLEATZCPOHKE-LJQANCHMSA-N 1 3 370.493 2.917 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1CCN(C)CC1 ZINC000047885228 507407593 /nfs/dbraw/zinc/40/75/93/507407593.db2.gz DQFSQJDFGZBSAD-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCN(C)CC1 ZINC000047885228 507407605 /nfs/dbraw/zinc/40/76/05/507407605.db2.gz DQFSQJDFGZBSAD-KRWDZBQOSA-N 1 3 358.530 2.954 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)CC1 ZINC000375479554 512352762 /nfs/dbraw/zinc/35/27/62/512352762.db2.gz CCWDITBPAMCGLM-HBMCJLEFSA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)CC1 ZINC000375479554 512352768 /nfs/dbraw/zinc/35/27/68/512352768.db2.gz CCWDITBPAMCGLM-HBMCJLEFSA-N 1 3 351.579 2.808 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000050137154 507666763 /nfs/dbraw/zinc/66/67/63/507666763.db2.gz RAPVETBFQKWMMV-MRXNPFEDSA-N 1 3 364.559 2.744 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000050799975 507714344 /nfs/dbraw/zinc/71/43/44/507714344.db2.gz VQRIFXOVKFYLPX-VQTJNVASSA-N 1 3 359.489 2.604 20 0 FFADHO CC(C)c1csc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000051235925 507753007 /nfs/dbraw/zinc/75/30/07/507753007.db2.gz PWODKTYWYFEJCI-UHFFFAOYSA-N 1 3 365.547 2.947 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000107328415 507843847 /nfs/dbraw/zinc/84/38/47/507843847.db2.gz UEYULYDGFJECRX-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CC1CCN(CCNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000107385181 507848952 /nfs/dbraw/zinc/84/89/52/507848952.db2.gz PSIICQKTNACKLE-UHFFFAOYSA-N 1 3 362.518 2.871 20 0 FFADHO CCN(C)C[C@@H]1CC[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000072858902 507865165 /nfs/dbraw/zinc/86/51/65/507865165.db2.gz SGMAVUXAPBHKDR-SFHVURJKSA-N 1 3 356.518 2.784 20 0 FFADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000072858902 507865167 /nfs/dbraw/zinc/86/51/67/507865167.db2.gz SGMAVUXAPBHKDR-SFHVURJKSA-N 1 3 356.518 2.784 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000072858902 507865169 /nfs/dbraw/zinc/86/51/69/507865169.db2.gz SGMAVUXAPBHKDR-SFHVURJKSA-N 1 3 356.518 2.784 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000072858902 507865171 /nfs/dbraw/zinc/86/51/71/507865171.db2.gz SGMAVUXAPBHKDR-SFHVURJKSA-N 1 3 356.518 2.784 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC000108568023 507905717 /nfs/dbraw/zinc/90/57/17/507905717.db2.gz JMRTYOONELGAFA-RTWAWAEBSA-N 1 3 370.541 2.915 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC000108568023 507905721 /nfs/dbraw/zinc/90/57/21/507905721.db2.gz JMRTYOONELGAFA-RTWAWAEBSA-N 1 3 370.541 2.915 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000073560830 507932010 /nfs/dbraw/zinc/93/20/10/507932010.db2.gz OWNUSGRLXHLNNB-AZUAARDMSA-N 1 3 358.530 2.731 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000073560830 507932011 /nfs/dbraw/zinc/93/20/11/507932011.db2.gz OWNUSGRLXHLNNB-AZUAARDMSA-N 1 3 358.530 2.731 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000079223050 507946061 /nfs/dbraw/zinc/94/60/61/507946061.db2.gz XWBRDOJWVHAONB-YLJYHZDGSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000079223050 507946063 /nfs/dbraw/zinc/94/60/63/507946063.db2.gz XWBRDOJWVHAONB-YLJYHZDGSA-N 1 3 358.530 2.635 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000074067353 507983402 /nfs/dbraw/zinc/98/34/02/507983402.db2.gz VQDMUQCTOGMLKY-FQEVSTJZSA-N 1 3 372.557 2.532 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000074067353 507983403 /nfs/dbraw/zinc/98/34/03/507983403.db2.gz VQDMUQCTOGMLKY-FQEVSTJZSA-N 1 3 372.557 2.532 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000079735042 507997233 /nfs/dbraw/zinc/99/72/33/507997233.db2.gz SOBVFUANLGGMTD-NHCUHLMSSA-N 1 3 368.525 2.761 20 0 FFADHO CCN1CCN(c2ccccc2CN2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000092047276 508037832 /nfs/dbraw/zinc/03/78/32/508037832.db2.gz WIJIDQDUYMEJIJ-OAQYLSRUSA-N 1 3 356.558 2.889 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074832380 508059576 /nfs/dbraw/zinc/05/95/76/508059576.db2.gz OZHZBJZYICOZFP-ICSRJNTNSA-N 1 3 358.530 2.663 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074832380 508059579 /nfs/dbraw/zinc/05/95/79/508059579.db2.gz OZHZBJZYICOZFP-ICSRJNTNSA-N 1 3 358.530 2.663 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074857408 508063100 /nfs/dbraw/zinc/06/31/00/508063100.db2.gz FDNRIZBZKORYKE-NHCUHLMSSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074857408 508063102 /nfs/dbraw/zinc/06/31/02/508063102.db2.gz FDNRIZBZKORYKE-NHCUHLMSSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000092615768 508087172 /nfs/dbraw/zinc/08/71/72/508087172.db2.gz KLYUWFKPWJFHHF-UHFFFAOYSA-N 1 3 366.509 2.638 20 0 FFADHO CCc1oc2ccccc2c1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000092615680 508087246 /nfs/dbraw/zinc/08/72/46/508087246.db2.gz ZUMRVUPEUXZUCA-UHFFFAOYSA-N 1 3 357.498 2.885 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCc2ccc(Br)cc21)CN1CCCC1 ZINC000092740550 508098669 /nfs/dbraw/zinc/09/86/69/508098669.db2.gz HRYKWOFSVIUHDQ-NVXWUHKLSA-N 1 3 353.304 2.873 20 0 FFADHO CC1CCN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000092821547 508103083 /nfs/dbraw/zinc/10/30/83/508103083.db2.gz VTTCGEIQFCHJQD-UHFFFAOYSA-N 1 3 358.530 2.878 20 0 FFADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)C[NH+]1CCCCC1 ZINC000093135098 508123869 /nfs/dbraw/zinc/12/38/69/508123869.db2.gz LTKCIDOORWVDRG-SFHVURJKSA-N 1 3 373.545 2.719 20 0 FFADHO [NH3+]CCCOC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000094072041 508166191 /nfs/dbraw/zinc/16/61/91/508166191.db2.gz ITKIAMIDBSWZMN-UHFFFAOYSA-N 1 3 357.292 2.658 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)c1ccsc1 ZINC000112742928 508218583 /nfs/dbraw/zinc/21/85/83/508218583.db2.gz FUNSVAUHMDXXLO-KRWDZBQOSA-N 1 3 352.548 2.868 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000097395185 508224190 /nfs/dbraw/zinc/22/41/90/508224190.db2.gz CMSURKSNGCYESK-UYAOXDASSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000097395185 508224194 /nfs/dbraw/zinc/22/41/94/508224194.db2.gz CMSURKSNGCYESK-UYAOXDASSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H](CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000113616169 508277100 /nfs/dbraw/zinc/27/71/00/508277100.db2.gz ZVBSPRCWAROYEV-QGZVFWFLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000113616169 508277101 /nfs/dbraw/zinc/27/71/01/508277101.db2.gz ZVBSPRCWAROYEV-QGZVFWFLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084433807 508279153 /nfs/dbraw/zinc/27/91/53/508279153.db2.gz ARMNVGFTVMSQNK-IAGOWNOFSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084433807 508279156 /nfs/dbraw/zinc/27/91/56/508279156.db2.gz ARMNVGFTVMSQNK-IAGOWNOFSA-N 1 3 366.575 2.942 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000084455769 508279812 /nfs/dbraw/zinc/27/98/12/508279812.db2.gz DACVVCNJMIVWGO-CVEARBPZSA-N 1 3 352.548 2.694 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000105083562 508359651 /nfs/dbraw/zinc/35/96/51/508359651.db2.gz QEOKSJMSSZCTNP-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000105083562 508359653 /nfs/dbraw/zinc/35/96/53/508359653.db2.gz QEOKSJMSSZCTNP-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000122123119 508484280 /nfs/dbraw/zinc/48/42/80/508484280.db2.gz ZUFBZWHNMVXTLV-NJYVYQBISA-N 1 3 356.510 2.691 20 0 FFADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128068579 508543322 /nfs/dbraw/zinc/54/33/22/508543322.db2.gz IPSNTAYLGRIYME-PMPSAXMXSA-N 1 3 374.554 2.965 20 0 FFADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128068579 508543328 /nfs/dbraw/zinc/54/33/28/508543328.db2.gz IPSNTAYLGRIYME-PMPSAXMXSA-N 1 3 374.554 2.965 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C[N@@H+]1C1CC1 ZINC000128731965 508636555 /nfs/dbraw/zinc/63/65/55/508636555.db2.gz OWQYDOWKHAXIJP-VYDXJSESSA-N 1 3 362.543 2.809 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C[N@H+]1C1CC1 ZINC000128731965 508636559 /nfs/dbraw/zinc/63/65/59/508636559.db2.gz OWQYDOWKHAXIJP-VYDXJSESSA-N 1 3 362.543 2.809 20 0 FFADHO CN1[C@@H]2CC[C@H]1CCN(C(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC000158096623 508657123 /nfs/dbraw/zinc/65/71/23/508657123.db2.gz FUCJITCVLRFZID-VQTJNVASSA-N 1 3 355.526 2.984 20 0 FFADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC3(CCC3)C2)CC1 ZINC000123534938 508701674 /nfs/dbraw/zinc/70/16/74/508701674.db2.gz NDWJBSUQSHUFMJ-UHFFFAOYSA-N 1 3 355.526 2.905 20 0 FFADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC3(CCC3)C2)CC1 ZINC000123534938 508701677 /nfs/dbraw/zinc/70/16/77/508701677.db2.gz NDWJBSUQSHUFMJ-UHFFFAOYSA-N 1 3 355.526 2.905 20 0 FFADHO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000136777363 508716019 /nfs/dbraw/zinc/71/60/19/508716019.db2.gz FXFMDEKJPZJUNT-QGZVFWFLSA-N 1 3 369.509 2.795 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000136986587 508729727 /nfs/dbraw/zinc/72/97/27/508729727.db2.gz HJUZXCOOQNHTAK-NJYVYQBISA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000136986587 508729729 /nfs/dbraw/zinc/72/97/29/508729729.db2.gz HJUZXCOOQNHTAK-NJYVYQBISA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](Cn1cccn1)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000138759541 508779133 /nfs/dbraw/zinc/77/91/33/508779133.db2.gz HQVFICVCGZXQHZ-LJQANCHMSA-N 1 3 356.514 2.933 20 0 FFADHO CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159058843 508787537 /nfs/dbraw/zinc/78/75/37/508787537.db2.gz WSGXQMJBZXRXKE-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000154450789 508787847 /nfs/dbraw/zinc/78/78/47/508787847.db2.gz WVIJWJLOQNNWGM-GOSISDBHSA-N 1 3 374.529 2.712 20 0 FFADHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc2c(c1)OCCO2 ZINC000154474600 508792300 /nfs/dbraw/zinc/79/23/00/508792300.db2.gz SJAFDJRPGLDEQC-LJQANCHMSA-N 1 3 361.530 2.916 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000154558788 508809684 /nfs/dbraw/zinc/80/96/84/508809684.db2.gz ONPJNDLHIXIKKI-QFBILLFUSA-N 1 3 358.530 2.953 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000155098191 508922910 /nfs/dbraw/zinc/92/29/10/508922910.db2.gz DFLVSLPEQQYXEN-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccccc3F)CC2)CC1 ZINC000125338290 508967704 /nfs/dbraw/zinc/96/77/04/508967704.db2.gz BSMWMRZBLDXLAA-UHFFFAOYSA-N 1 3 361.505 2.778 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000120841125 509074601 /nfs/dbraw/zinc/07/46/01/509074601.db2.gz MKUQURKNDQMWTE-PXNSSMCTSA-N 1 3 370.541 2.884 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000126543790 509092802 /nfs/dbraw/zinc/09/28/02/509092802.db2.gz LLZLMEJKXFGWCE-PIKOESSRSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000126543790 509092804 /nfs/dbraw/zinc/09/28/04/509092804.db2.gz LLZLMEJKXFGWCE-PIKOESSRSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000195637652 509214096 /nfs/dbraw/zinc/21/40/96/509214096.db2.gz MNPWAHNVRBZKQG-JTJHWIPRSA-N 1 3 374.573 2.825 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000195637652 509214101 /nfs/dbraw/zinc/21/41/01/509214101.db2.gz MNPWAHNVRBZKQG-JTJHWIPRSA-N 1 3 374.573 2.825 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)C1 ZINC000188712746 509227254 /nfs/dbraw/zinc/22/72/54/509227254.db2.gz IRJWQVVNUFOFKL-AWEZNQCLSA-N 1 3 353.470 2.540 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)C1 ZINC000188712746 509227260 /nfs/dbraw/zinc/22/72/60/509227260.db2.gz IRJWQVVNUFOFKL-AWEZNQCLSA-N 1 3 353.470 2.540 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000214108373 509241528 /nfs/dbraw/zinc/24/15/28/509241528.db2.gz NVXIBJIISRWIDE-IBGZPJMESA-N 1 3 357.523 2.646 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179118115 509270974 /nfs/dbraw/zinc/27/09/74/509270974.db2.gz PZKNBGQACLVRSK-VQTJNVASSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000248386181 509284890 /nfs/dbraw/zinc/28/48/90/509284890.db2.gz LNZIPIAUOCGAOO-IIMDRIAPSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000248386181 509284897 /nfs/dbraw/zinc/28/48/97/509284897.db2.gz LNZIPIAUOCGAOO-IIMDRIAPSA-N 1 3 373.541 2.521 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248394305 509290447 /nfs/dbraw/zinc/29/04/47/509290447.db2.gz FQHBQUAVXNAENG-LFGUQSLTSA-N 1 3 362.562 2.908 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248394305 509290452 /nfs/dbraw/zinc/29/04/52/509290452.db2.gz FQHBQUAVXNAENG-LFGUQSLTSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000248399137 509294715 /nfs/dbraw/zinc/29/47/15/509294715.db2.gz OEFRABNMFDZIDF-PSHVLCQKSA-N 1 3 357.542 2.991 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000248403631 509299297 /nfs/dbraw/zinc/29/92/97/509299297.db2.gz OUTDTJSOILUXPG-KOUHRCEDSA-N 1 3 353.510 2.640 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000221837717 509309908 /nfs/dbraw/zinc/30/99/08/509309908.db2.gz QNKIETRUBYDPNI-HBFSDRIKSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000221837717 509309915 /nfs/dbraw/zinc/30/99/15/509309915.db2.gz QNKIETRUBYDPNI-HBFSDRIKSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000267320610 509446320 /nfs/dbraw/zinc/44/63/20/509446320.db2.gz KDYFHCFVATUUIA-SLYNCCJLSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000267320610 509446324 /nfs/dbraw/zinc/44/63/24/509446324.db2.gz KDYFHCFVATUUIA-SLYNCCJLSA-N 1 3 370.541 2.681 20 0 FFADHO CC(C)(CNC(=O)[C@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236686114 509480052 /nfs/dbraw/zinc/48/00/52/509480052.db2.gz ICESPHTWYMVDPC-HXUWFJFHSA-N 1 3 351.494 2.682 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000236886623 509525402 /nfs/dbraw/zinc/52/54/02/509525402.db2.gz SMPAWXZAXXRFSO-HXUWFJFHSA-N 1 3 355.482 2.916 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H](C)C3CC[NH2+]CC3)cc2)CC1 ZINC000236964056 509542102 /nfs/dbraw/zinc/54/21/02/509542102.db2.gz RQJGVEURLQWURJ-SFHVURJKSA-N 1 3 372.557 2.788 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCn2ccnc2)CC1 ZINC000179669432 509564789 /nfs/dbraw/zinc/56/47/89/509564789.db2.gz NLLCNKMJNUETRN-KRWDZBQOSA-N 1 3 359.493 2.905 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2(N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237114431 509575188 /nfs/dbraw/zinc/57/51/88/509575188.db2.gz LJXALMXCWZLCNU-ZFWWWQNUSA-N 1 3 355.404 2.696 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)C2(N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237114431 509575197 /nfs/dbraw/zinc/57/51/97/509575197.db2.gz LJXALMXCWZLCNU-ZFWWWQNUSA-N 1 3 355.404 2.696 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[NH+](C)C)cc1 ZINC000173411590 509580229 /nfs/dbraw/zinc/58/02/29/509580229.db2.gz YIKQHJUUUYNZLU-WOJBJXKFSA-N 1 3 356.514 2.507 20 0 FFADHO CN(C)[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccccc1 ZINC000237188710 509591151 /nfs/dbraw/zinc/59/11/51/509591151.db2.gz ORZFTMJHRZODSV-HXUWFJFHSA-N 1 3 351.494 2.727 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176606455 509608050 /nfs/dbraw/zinc/60/80/50/509608050.db2.gz MOZUJSMVGVCZPM-OALUTQOASA-N 1 3 364.509 2.772 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176630086 509618551 /nfs/dbraw/zinc/61/85/51/509618551.db2.gz MNQKXUZTSBWDFT-FUHWJXTLSA-N 1 3 362.518 2.758 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000237408517 509640899 /nfs/dbraw/zinc/64/08/99/509640899.db2.gz IWCLUZVEVZRRHM-UTKZUKDTSA-N 1 3 351.494 2.898 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCN1Cc1ccccc1 ZINC000249288009 509649081 /nfs/dbraw/zinc/64/90/81/509649081.db2.gz UESVGVNULDNPLH-DENIHFKCSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCN1Cc1ccccc1 ZINC000249288009 509649087 /nfs/dbraw/zinc/64/90/87/509649087.db2.gz UESVGVNULDNPLH-DENIHFKCSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1C(F)(F)F ZINC000168929920 509653182 /nfs/dbraw/zinc/65/31/82/509653182.db2.gz ZPGSEOIEMLFOAC-MRXNPFEDSA-N 1 3 373.463 2.746 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000249391598 509670289 /nfs/dbraw/zinc/67/02/89/509670289.db2.gz ACSGJFJGBIENEQ-NSHGMRRFSA-N 1 3 367.578 2.798 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCCC[C@@H]2CC)[C@H](C)C1 ZINC000249397806 509671297 /nfs/dbraw/zinc/67/12/97/509671297.db2.gz BHAKODCUVJFHGW-QYZOEREBSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000268012208 509717726 /nfs/dbraw/zinc/71/77/26/509717726.db2.gz PVEQMXNXBLNVEH-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000268012208 509717732 /nfs/dbraw/zinc/71/77/32/509717732.db2.gz PVEQMXNXBLNVEH-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO N[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237890667 509763701 /nfs/dbraw/zinc/76/37/01/509763701.db2.gz VOOMNEAHQGTKTH-CTNGQTDRSA-N 1 3 351.494 2.757 20 0 FFADHO N[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237890667 509763705 /nfs/dbraw/zinc/76/37/05/509763705.db2.gz VOOMNEAHQGTKTH-CTNGQTDRSA-N 1 3 351.494 2.757 20 0 FFADHO Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)cc12 ZINC000237892219 509764745 /nfs/dbraw/zinc/76/47/45/509764745.db2.gz BNVATPALZNIENQ-LJQANCHMSA-N 1 3 363.509 2.931 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180175620 509795182 /nfs/dbraw/zinc/79/51/82/509795182.db2.gz MSJMKVIAUPXNBE-HXUWFJFHSA-N 1 3 370.541 2.975 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180175620 509795186 /nfs/dbraw/zinc/79/51/86/509795186.db2.gz MSJMKVIAUPXNBE-HXUWFJFHSA-N 1 3 370.541 2.975 20 0 FFADHO [NH3+]C[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000238077099 509816117 /nfs/dbraw/zinc/81/61/17/509816117.db2.gz VGOMPUJZSVTSRI-FUHWJXTLSA-N 1 3 369.431 2.638 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000252104940 509831960 /nfs/dbraw/zinc/83/19/60/509831960.db2.gz GWAMNSIZHPOAAP-UYAOXDASSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000252104940 509831965 /nfs/dbraw/zinc/83/19/65/509831965.db2.gz GWAMNSIZHPOAAP-UYAOXDASSA-N 1 3 360.546 2.723 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCc1cccc(CN(C)C)c1)C2 ZINC000173945888 509869259 /nfs/dbraw/zinc/86/92/59/509869259.db2.gz BROVCZYLWDHDNS-VQTJNVASSA-N 1 3 358.530 2.905 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCc1cccc(CN(C)C)c1)C2 ZINC000173945888 509869261 /nfs/dbraw/zinc/86/92/61/509869261.db2.gz BROVCZYLWDHDNS-VQTJNVASSA-N 1 3 358.530 2.905 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173996441 509895211 /nfs/dbraw/zinc/89/52/11/509895211.db2.gz ZORQUJBXRWVYKK-XLIONFOSSA-N 1 3 372.557 2.947 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000173996441 509895221 /nfs/dbraw/zinc/89/52/21/509895221.db2.gz ZORQUJBXRWVYKK-XLIONFOSSA-N 1 3 372.557 2.947 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171039121 509903488 /nfs/dbraw/zinc/90/34/88/509903488.db2.gz CDMJKODJXPURPB-PMACEKPBSA-N 1 3 356.514 2.703 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000190229801 510015925 /nfs/dbraw/zinc/01/59/25/510015925.db2.gz ANMAXXYJEQBIAE-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1cc(C)n(-c2ccc(CN(C)CC[N@H+](C)C3CCN(C)CC3)cc2)n1 ZINC000177384546 510027630 /nfs/dbraw/zinc/02/76/30/510027630.db2.gz GHUYECATWQUHIJ-UHFFFAOYSA-N 1 3 369.557 2.947 20 0 FFADHO Cc1cc(C)n(-c2ccc(CN(C)CC[N@@H+](C)C3CCN(C)CC3)cc2)n1 ZINC000177384546 510027634 /nfs/dbraw/zinc/02/76/34/510027634.db2.gz GHUYECATWQUHIJ-UHFFFAOYSA-N 1 3 369.557 2.947 20 0 FFADHO COc1ccccc1OCCN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304285 510068995 /nfs/dbraw/zinc/06/89/95/510068995.db2.gz MYBYSSALOWBMKX-HDICACEKSA-N 1 3 362.514 2.895 20 0 FFADHO COc1ccccc1OCCN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304285 510069002 /nfs/dbraw/zinc/06/90/02/510069002.db2.gz MYBYSSALOWBMKX-HDICACEKSA-N 1 3 362.514 2.895 20 0 FFADHO COCCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245697828 510092142 /nfs/dbraw/zinc/09/21/42/510092142.db2.gz LILGSTHTQAFIJA-YUMYIRISSA-N 1 3 357.542 2.882 20 0 FFADHO COCCN1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245697828 510092147 /nfs/dbraw/zinc/09/21/47/510092147.db2.gz LILGSTHTQAFIJA-YUMYIRISSA-N 1 3 357.542 2.882 20 0 FFADHO COCCN1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245697828 510092151 /nfs/dbraw/zinc/09/21/51/510092151.db2.gz LILGSTHTQAFIJA-YUMYIRISSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc(OCCN(C)C)c1 ZINC000268952041 510155428 /nfs/dbraw/zinc/15/54/28/510155428.db2.gz VSETWUHNIAZCHC-YTQUADARSA-N 1 3 361.530 2.925 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CNCc1cccc(Br)c1OC ZINC000187287666 510173021 /nfs/dbraw/zinc/17/30/21/510173021.db2.gz MLIJVYRVWJGFJC-CQSZACIVSA-N 1 3 359.308 2.904 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194015801 510177973 /nfs/dbraw/zinc/17/79/73/510177973.db2.gz BBHBFIQAMWMZFM-ICSRJNTNSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194015801 510177977 /nfs/dbraw/zinc/17/79/77/510177977.db2.gz BBHBFIQAMWMZFM-ICSRJNTNSA-N 1 3 358.530 2.540 20 0 FFADHO COc1cc([C@H](C)NCCCC[NH+](C)C)ccc1S(=O)(=O)C(F)F ZINC000268994462 510182753 /nfs/dbraw/zinc/18/27/53/510182753.db2.gz KFWMKORHLHUGGN-LBPRGKRZSA-N 1 3 364.458 2.684 20 0 FFADHO FC(F)Oc1ccc2ccccc2c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262148781 510192046 /nfs/dbraw/zinc/19/20/46/510192046.db2.gz QTKUINZJHHDKOT-MRXNPFEDSA-N 1 3 361.436 2.921 20 0 FFADHO C[C@@H](C(=O)Nc1cccc2ccccc21)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174713580 510266344 /nfs/dbraw/zinc/26/63/44/510266344.db2.gz XCYXZLPSIMDTOE-SFHVURJKSA-N 1 3 368.525 2.736 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](N)Cc3ccccc3)c(C)c2)CC1 ZINC000269269093 510317842 /nfs/dbraw/zinc/31/78/42/510317842.db2.gz QZZJINYRQWYUNQ-HXUWFJFHSA-N 1 3 366.509 2.645 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000177921829 510328291 /nfs/dbraw/zinc/32/82/91/510328291.db2.gz GGBBWVRRQZADBZ-OHHNFCFSSA-N 1 3 373.541 2.754 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246181319 510344073 /nfs/dbraw/zinc/34/40/73/510344073.db2.gz LVISOEPUCSTQMC-XDNAFOTISA-N 1 3 352.567 2.867 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246181319 510344081 /nfs/dbraw/zinc/34/40/81/510344081.db2.gz LVISOEPUCSTQMC-XDNAFOTISA-N 1 3 352.567 2.867 20 0 FFADHO C[C@H]1C[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000181381888 510384024 /nfs/dbraw/zinc/38/40/24/510384024.db2.gz YQLIPEWINMKWAU-WMZOPIPTSA-N 1 3 350.938 2.534 20 0 FFADHO C[C@H]1C[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000181381888 510384032 /nfs/dbraw/zinc/38/40/32/510384032.db2.gz YQLIPEWINMKWAU-WMZOPIPTSA-N 1 3 350.938 2.534 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000246308586 510417254 /nfs/dbraw/zinc/41/72/54/510417254.db2.gz JOYIGAUVOMEXLS-XSYGEPLQSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000246308586 510417256 /nfs/dbraw/zinc/41/72/56/510417256.db2.gz JOYIGAUVOMEXLS-XSYGEPLQSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CSCCN2)CC[N@@H+]1Cc1ccccc1 ZINC000262813137 510423697 /nfs/dbraw/zinc/42/36/97/510423697.db2.gz RMQYCDBKUHAGMV-NZSAHSFTSA-N 1 3 361.555 2.593 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CSCCN2)CC[N@H+]1Cc1ccccc1 ZINC000262813137 510423704 /nfs/dbraw/zinc/42/37/04/510423704.db2.gz RMQYCDBKUHAGMV-NZSAHSFTSA-N 1 3 361.555 2.593 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000246333079 510431260 /nfs/dbraw/zinc/43/12/60/510431260.db2.gz IDNKDTGOSTZPFT-ZWKOTPCHSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000246333079 510431266 /nfs/dbraw/zinc/43/12/66/510431266.db2.gz IDNKDTGOSTZPFT-ZWKOTPCHSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000246412294 510475985 /nfs/dbraw/zinc/47/59/85/510475985.db2.gz FHLYTKIZKFULQQ-AOIWGVFYSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000246412294 510475992 /nfs/dbraw/zinc/47/59/92/510475992.db2.gz FHLYTKIZKFULQQ-AOIWGVFYSA-N 1 3 358.530 2.821 20 0 FFADHO COC[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CCOCC1 ZINC000187901082 510494029 /nfs/dbraw/zinc/49/40/29/510494029.db2.gz PLJBTJLLRLFBCW-IBGZPJMESA-N 1 3 352.544 2.991 20 0 FFADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000263106887 510564052 /nfs/dbraw/zinc/56/40/52/510564052.db2.gz ZYAHBXFTAXKEFG-FUHWJXTLSA-N 1 3 353.576 2.762 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000246577702 510565182 /nfs/dbraw/zinc/56/51/82/510565182.db2.gz WMYPPNJZSDKHKY-BRWVUGGUSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000246577702 510565184 /nfs/dbraw/zinc/56/51/84/510565184.db2.gz WMYPPNJZSDKHKY-BRWVUGGUSA-N 1 3 364.559 2.867 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)CC[C@H]21 ZINC000246601930 510577794 /nfs/dbraw/zinc/57/77/94/510577794.db2.gz DCHFVUDVHCLYIE-LEWJYISDSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)CC[C@H]21 ZINC000246601930 510577803 /nfs/dbraw/zinc/57/78/03/510577803.db2.gz DCHFVUDVHCLYIE-LEWJYISDSA-N 1 3 370.541 2.561 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)cc1 ZINC000263272256 510639152 /nfs/dbraw/zinc/63/91/52/510639152.db2.gz SKAOGKSTRLXHRM-UNMCSNQZSA-N 1 3 373.541 2.931 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC000246875394 510723558 /nfs/dbraw/zinc/72/35/58/510723558.db2.gz SQBDGDCIFSKQQH-QYZOEREBSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC000246875394 510723563 /nfs/dbraw/zinc/72/35/63/510723563.db2.gz SQBDGDCIFSKQQH-QYZOEREBSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)Cc1ccccc1 ZINC000182076386 510743448 /nfs/dbraw/zinc/74/34/48/510743448.db2.gz MQGLEJQMMYTRJO-SFHVURJKSA-N 1 3 353.510 2.946 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)N(C)Cc1ccccc1 ZINC000246921162 510744982 /nfs/dbraw/zinc/74/49/82/510744982.db2.gz MYRZPSYMTQIOAC-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)N(C)Cc1ccccc1 ZINC000246921162 510744990 /nfs/dbraw/zinc/74/49/90/510744990.db2.gz MYRZPSYMTQIOAC-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000172653589 510837390 /nfs/dbraw/zinc/83/73/90/510837390.db2.gz PPGQUPQZFPDYRM-UHFFFAOYSA-N 1 3 351.922 2.662 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000247171277 510848608 /nfs/dbraw/zinc/84/86/08/510848608.db2.gz SOYNXMAMOWABST-PKOBYXMFSA-N 1 3 353.551 2.504 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000247599770 510867147 /nfs/dbraw/zinc/86/71/47/510867147.db2.gz UEPVEYLTPLLGGY-UDEWTMQYSA-N 1 3 370.541 2.823 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000247599770 510867148 /nfs/dbraw/zinc/86/71/48/510867148.db2.gz UEPVEYLTPLLGGY-UDEWTMQYSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000285526802 510942221 /nfs/dbraw/zinc/94/22/21/510942221.db2.gz KPHLEYVQEMYWHQ-BAGYTPMASA-N 1 3 357.542 2.836 20 0 FFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1C ZINC000282374961 510950909 /nfs/dbraw/zinc/95/09/09/510950909.db2.gz QLMOYHQJWZAZBF-KRWDZBQOSA-N 1 3 360.546 2.636 20 0 FFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282541246 511019476 /nfs/dbraw/zinc/01/94/76/511019476.db2.gz ZTOJKHGXGAMVNV-UHFFFAOYSA-N 1 3 373.520 2.744 20 0 FFADHO CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000294327954 511028385 /nfs/dbraw/zinc/02/83/85/511028385.db2.gz RJRIZKHCEZDYSD-RBUKOAKNSA-N 1 3 350.528 2.728 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2oc(C)nc21 ZINC000279480722 511098046 /nfs/dbraw/zinc/09/80/46/511098046.db2.gz IFXJPISVAQMHSW-MRXNPFEDSA-N 1 3 358.486 2.624 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2oc(C)nc21 ZINC000279480722 511098054 /nfs/dbraw/zinc/09/80/54/511098054.db2.gz IFXJPISVAQMHSW-MRXNPFEDSA-N 1 3 358.486 2.624 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000365053086 511227983 /nfs/dbraw/zinc/22/79/83/511227983.db2.gz JQERHOMEAIFEED-NJDAHSKKSA-N 1 3 373.541 2.663 20 0 FFADHO CN1CC=C(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000283091218 511231400 /nfs/dbraw/zinc/23/14/00/511231400.db2.gz YYWCMPJQTSZOBG-HXUWFJFHSA-N 1 3 370.541 2.848 20 0 FFADHO CN1CC=C(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000283091218 511231403 /nfs/dbraw/zinc/23/14/03/511231403.db2.gz YYWCMPJQTSZOBG-HXUWFJFHSA-N 1 3 370.541 2.848 20 0 FFADHO Cc1ccc(C(=O)NCC[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000298313285 511242284 /nfs/dbraw/zinc/24/22/84/511242284.db2.gz HXQPTAUFWAYHDT-UHFFFAOYSA-N 1 3 356.445 2.518 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc21 ZINC000283359585 511336005 /nfs/dbraw/zinc/33/60/05/511336005.db2.gz NBXJMMQTBJSPNJ-LEWJYISDSA-N 1 3 373.541 2.784 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OCC)c(C)[nH]2)[C@@H](C)C1 ZINC000295251755 511337695 /nfs/dbraw/zinc/33/76/95/511337695.db2.gz UGTOYSMPHYEUSC-KXBFYZLASA-N 1 3 365.518 2.726 20 0 FFADHO C[N@H+]1CC=C(CNCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000271856198 511348534 /nfs/dbraw/zinc/34/85/34/511348534.db2.gz UYZWQGAQBWKNMW-UHFFFAOYSA-N 1 3 353.260 2.572 20 0 FFADHO C[N@@H+]1CC=C(CNCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000271856198 511348538 /nfs/dbraw/zinc/34/85/38/511348538.db2.gz UYZWQGAQBWKNMW-UHFFFAOYSA-N 1 3 353.260 2.572 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000295318444 511361237 /nfs/dbraw/zinc/36/12/37/511361237.db2.gz WPDBJDDQFZWPAM-YOEHRIQHSA-N 1 3 357.420 2.685 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333876052 511378901 /nfs/dbraw/zinc/37/89/01/511378901.db2.gz VIPDXXSGIMROPH-GVDBMIGSSA-N 1 3 355.482 2.716 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000291893931 511380533 /nfs/dbraw/zinc/38/05/33/511380533.db2.gz MNEQJSVUGPNVRZ-QGZVFWFLSA-N 1 3 371.529 2.570 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000291893931 511380537 /nfs/dbraw/zinc/38/05/37/511380537.db2.gz MNEQJSVUGPNVRZ-QGZVFWFLSA-N 1 3 371.529 2.570 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365758031 511639091 /nfs/dbraw/zinc/63/90/91/511639091.db2.gz GSFFYPZSVIMLOI-SFTDATJTSA-N 1 3 367.537 2.841 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365758031 511639096 /nfs/dbraw/zinc/63/90/96/511639096.db2.gz GSFFYPZSVIMLOI-SFTDATJTSA-N 1 3 367.537 2.841 20 0 FFADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC000284273609 511664788 /nfs/dbraw/zinc/66/47/88/511664788.db2.gz XPSRMGFRLXHCSJ-FGZHOGPDSA-N 1 3 357.542 2.838 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000303172133 511728937 /nfs/dbraw/zinc/72/89/37/511728937.db2.gz RHTOGOBBGFKNPA-MSOLQXFVSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000303172133 511728944 /nfs/dbraw/zinc/72/89/44/511728944.db2.gz RHTOGOBBGFKNPA-MSOLQXFVSA-N 1 3 352.567 2.917 20 0 FFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284476368 511738945 /nfs/dbraw/zinc/73/89/45/511738945.db2.gz WBZPWLISUMPAHO-QGZVFWFLSA-N 1 3 361.530 2.896 20 0 FFADHO Cc1nc(C(C)C)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000292996627 511799507 /nfs/dbraw/zinc/79/95/07/511799507.db2.gz MQRWIOQZCNBRBL-UHFFFAOYSA-N 1 3 358.530 2.802 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274405693 511823827 /nfs/dbraw/zinc/82/38/27/511823827.db2.gz UDKAXXCVCMKKBG-IRXDYDNUSA-N 1 3 357.498 2.771 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)NCC1CCN(c2ccncc2)CC1 ZINC000296801733 511903403 /nfs/dbraw/zinc/90/34/03/511903403.db2.gz IEOPOWOWSBNNKM-UHFFFAOYSA-N 1 3 373.545 2.863 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297040698 511996161 /nfs/dbraw/zinc/99/61/61/511996161.db2.gz MNMNFONWDGMGHV-FWZVCBSNSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297040698 511996169 /nfs/dbraw/zinc/99/61/69/511996169.db2.gz MNMNFONWDGMGHV-FWZVCBSNSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[C@H](c1ccccc1)N(C)C ZINC000297172826 512047985 /nfs/dbraw/zinc/04/79/85/512047985.db2.gz AFMVCADMEBYGKM-DSKINZAPSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[C@H](c1ccccc1)N(C)C ZINC000297172826 512047990 /nfs/dbraw/zinc/04/79/90/512047990.db2.gz AFMVCADMEBYGKM-DSKINZAPSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364311693 512081769 /nfs/dbraw/zinc/08/17/69/512081769.db2.gz CSOFRRSFVZIVDS-CUWPLCDZSA-N 1 3 368.525 2.753 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000375966158 512592552 /nfs/dbraw/zinc/59/25/52/512592552.db2.gz WYEINEOHLXHNRC-JOCHJYFZSA-N 1 3 363.505 2.902 20 0 FFADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172661 512691401 /nfs/dbraw/zinc/69/14/01/512691401.db2.gz GEQLTSIFRDUXLK-GOSISDBHSA-N 1 3 355.526 2.768 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374254183 512728607 /nfs/dbraw/zinc/72/86/07/512728607.db2.gz LNOTXWINKRXFGI-RXVVDRJESA-N 1 3 367.541 2.843 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374254183 512728608 /nfs/dbraw/zinc/72/86/08/512728608.db2.gz LNOTXWINKRXFGI-RXVVDRJESA-N 1 3 367.541 2.843 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000367943342 512735055 /nfs/dbraw/zinc/73/50/55/512735055.db2.gz SNVKBVUPSSLJLI-WOJBJXKFSA-N 1 3 355.457 2.763 20 0 FFADHO CN1CCC2(CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374318938 512764397 /nfs/dbraw/zinc/76/43/97/512764397.db2.gz UATLDKHCPIIRKY-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO CN1CCC2(CCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374318938 512764400 /nfs/dbraw/zinc/76/44/00/512764400.db2.gz UATLDKHCPIIRKY-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO OC1(CCN2CCCC3(CCC[N@H+](CCC4(O)CCC4)C3)C2)CCC1 ZINC000411749651 512792800 /nfs/dbraw/zinc/79/28/00/512792800.db2.gz LRZQWKKTNPGYKJ-UHFFFAOYSA-N 1 3 350.547 2.775 20 0 FFADHO OC1(CCN2CCCC3(CCC[N@@H+](CCC4(O)CCC4)C3)C2)CCC1 ZINC000411749651 512792805 /nfs/dbraw/zinc/79/28/05/512792805.db2.gz LRZQWKKTNPGYKJ-UHFFFAOYSA-N 1 3 350.547 2.775 20 0 FFADHO C[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CN1CCCC1 ZINC000387307167 512892187 /nfs/dbraw/zinc/89/21/87/512892187.db2.gz OPIASEMMSKUEKK-HOCLYGCPSA-N 1 3 371.319 2.510 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411977677 512898266 /nfs/dbraw/zinc/89/82/66/512898266.db2.gz GHUGPZWCRRUVCD-FQEVSTJZSA-N 1 3 355.526 2.857 20 0 FFADHO [NH3+][C@@H]1C[C@@H](NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000390893784 512912380 /nfs/dbraw/zinc/91/23/80/512912380.db2.gz BQCFAYAWPXNBIN-FGZHOGPDSA-N 1 3 350.510 2.539 20 0 FFADHO Cc1ccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c(-c2ccnn2C)c1 ZINC000374693594 512958567 /nfs/dbraw/zinc/95/85/67/512958567.db2.gz XFEMELNFIAWIQR-IBGZPJMESA-N 1 3 367.541 2.654 20 0 FFADHO C[C@@H]1COCCN1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376752392 512972640 /nfs/dbraw/zinc/97/26/40/512972640.db2.gz SJTWTKIRONJXTQ-HXUWFJFHSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1COCCN1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376752392 512972643 /nfs/dbraw/zinc/97/26/43/512972643.db2.gz SJTWTKIRONJXTQ-HXUWFJFHSA-N 1 3 357.542 2.695 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000368797878 513106962 /nfs/dbraw/zinc/10/69/62/513106962.db2.gz NNOOMNIAPIVDBZ-NRFANRHFSA-N 1 3 372.557 2.882 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000368823512 513114752 /nfs/dbraw/zinc/11/47/52/513114752.db2.gz JADUUXMDKRWBEP-IBGZPJMESA-N 1 3 365.949 2.723 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417668912 513151155 /nfs/dbraw/zinc/15/11/55/513151155.db2.gz LGKRUAGLNMLCSO-HBMCJLEFSA-N 1 3 370.541 2.682 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000417686907 513162982 /nfs/dbraw/zinc/16/29/82/513162982.db2.gz GVWFXFXRXAGVEO-ZWKOTPCHSA-N 1 3 358.530 2.853 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424483259 513164127 /nfs/dbraw/zinc/16/41/27/513164127.db2.gz WYQCYYLXFMIWGF-GUDVDZBRSA-N 1 3 358.530 2.856 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000428688907 513164365 /nfs/dbraw/zinc/16/43/65/513164365.db2.gz PRNBYJLTRLZOJR-HXUWFJFHSA-N 1 3 358.530 2.771 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417735570 513187663 /nfs/dbraw/zinc/18/76/63/513187663.db2.gz LHDXKWBVPQGJJM-HOCLYGCPSA-N 1 3 352.548 2.948 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417819842 513221393 /nfs/dbraw/zinc/22/13/93/513221393.db2.gz GRZGGRCTFMMHQI-IZBJGVDFSA-N 1 3 358.530 2.523 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000417832524 513227773 /nfs/dbraw/zinc/22/77/73/513227773.db2.gz SWBGBHXFMOSZCH-FUHIMQAGSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417852427 513238577 /nfs/dbraw/zinc/23/85/77/513238577.db2.gz ZIHQKRQODSFKKF-UWVAXJGDSA-N 1 3 358.530 2.808 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417852421 513239136 /nfs/dbraw/zinc/23/91/36/513239136.db2.gz ZIHQKRQODSFKKF-ABSDTBQOSA-N 1 3 358.530 2.808 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CN1Cc1ccccc1 ZINC000417887376 513257310 /nfs/dbraw/zinc/25/73/10/513257310.db2.gz ZZDGMGOHCPJHDG-QMMLZNLJSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000429123362 513283564 /nfs/dbraw/zinc/28/35/64/513283564.db2.gz PPVARMVSZUJTBO-QGZVFWFLSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000446613535 513295984 /nfs/dbraw/zinc/29/59/84/513295984.db2.gz GTFSNWOXYDJCDV-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](NC(=O)NC[C@H](N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982550 513317211 /nfs/dbraw/zinc/31/72/11/513317211.db2.gz AJECDORJDYEYFT-YYWHXJBOSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@H](NC(=O)NC[C@H](N)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982550 513317220 /nfs/dbraw/zinc/31/72/20/513317220.db2.gz AJECDORJDYEYFT-YYWHXJBOSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418011680 513334390 /nfs/dbraw/zinc/33/43/90/513334390.db2.gz LDELJOVRGSRFNH-DUXKGJEZSA-N 1 3 370.541 2.538 20 0 FFADHO C[C@@]1(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)CCCN1Cc1ccccc1 ZINC000418039299 513347533 /nfs/dbraw/zinc/34/75/33/513347533.db2.gz GUBQQXXAMPZSCH-NRFANRHFSA-N 1 3 370.541 2.826 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000418098464 513371105 /nfs/dbraw/zinc/37/11/05/513371105.db2.gz LTIOIOSFGHXUQI-DLBZAZTESA-N 1 3 350.551 2.526 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418149875 513391499 /nfs/dbraw/zinc/39/14/99/513391499.db2.gz BYEQFZMQZFPMIV-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000418172598 513405121 /nfs/dbraw/zinc/40/51/21/513405121.db2.gz XCKPKWILPVYLQR-UXLLHSPISA-N 1 3 350.507 2.786 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418177187 513406339 /nfs/dbraw/zinc/40/63/39/513406339.db2.gz VNBYYXVGJGAULG-NRFANRHFSA-N 1 3 362.562 2.818 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N(C)C1CC([NH3+])C1)c1ccc(Cl)cc1 ZINC000418176404 513406383 /nfs/dbraw/zinc/40/63/83/513406383.db2.gz GWPPTPCLHMGESV-OFLPRAFFSA-N 1 3 352.910 2.854 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000418184740 513410738 /nfs/dbraw/zinc/41/07/38/513410738.db2.gz QHZOYQHBSAAYGP-WGALQRPISA-N 1 3 358.530 2.911 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000418191173 513414954 /nfs/dbraw/zinc/41/49/54/513414954.db2.gz KMNDZOOOZUPPKS-NJYVYQBISA-N 1 3 372.557 2.739 20 0 FFADHO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000447236373 513423433 /nfs/dbraw/zinc/42/34/33/513423433.db2.gz KXEXTBJXHCPWHJ-LJQANCHMSA-N 1 3 370.497 2.627 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000418230147 513432216 /nfs/dbraw/zinc/43/22/16/513432216.db2.gz DREPHNHTXBRNBX-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000418230147 513432221 /nfs/dbraw/zinc/43/22/21/513432221.db2.gz DREPHNHTXBRNBX-HBFSDRIKSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000418233646 513433369 /nfs/dbraw/zinc/43/33/69/513433369.db2.gz OQUJQGHKONFQPX-WMZOPIPTSA-N 1 3 364.559 2.795 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418233916 513433673 /nfs/dbraw/zinc/43/36/73/513433673.db2.gz HSUCMWZUCSISKD-RBUKOAKNSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418338044 513469915 /nfs/dbraw/zinc/46/99/15/513469915.db2.gz JPBFEKQURKCQCA-PZJWPPBQSA-N 1 3 372.557 2.725 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000415907162 513471684 /nfs/dbraw/zinc/47/16/84/513471684.db2.gz ZZKOEPVTKBDUEI-UHFFFAOYSA-N 1 3 352.482 2.976 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000415925218 513482064 /nfs/dbraw/zinc/48/20/64/513482064.db2.gz ZYEWTVLUKIYJQJ-IRXDYDNUSA-N 1 3 374.529 2.759 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000418371123 513487264 /nfs/dbraw/zinc/48/72/64/513487264.db2.gz XBCABDLECDOTLO-OALUTQOASA-N 1 3 362.518 2.505 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418410518 513498479 /nfs/dbraw/zinc/49/84/79/513498479.db2.gz OOSZZHMWIFKYQB-SFTDATJTSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418410753 513498875 /nfs/dbraw/zinc/49/88/75/513498875.db2.gz PNELSCXMWUPCSJ-INIZCTEOSA-N 1 3 374.451 2.762 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC[C@H]3C3CC3)CC2)CC1 ZINC000413195096 513511866 /nfs/dbraw/zinc/51/18/66/513511866.db2.gz CGXPEEAKQOLFIR-XLIONFOSSA-N 1 3 362.562 2.671 20 0 FFADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418497144 513533339 /nfs/dbraw/zinc/53/33/39/513533339.db2.gz GZGHFTQDAGRGPU-OALUTQOASA-N 1 3 354.498 2.917 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416011106 513537502 /nfs/dbraw/zinc/53/75/02/513537502.db2.gz RAXKAAOFLCQRLR-CZUORRHYSA-N 1 3 372.435 2.791 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1([NH3+])CCC1 ZINC000418527459 513544537 /nfs/dbraw/zinc/54/45/37/513544537.db2.gz PTLYBQYKWJZZHM-UHFFFAOYSA-N 1 3 372.435 2.660 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418608914 513575356 /nfs/dbraw/zinc/57/53/56/513575356.db2.gz ZKEYEPUWWZCKHJ-RXVVDRJESA-N 1 3 370.541 2.991 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418610117 513577230 /nfs/dbraw/zinc/57/72/30/513577230.db2.gz FOMWALHIPWLJCM-ONCXSQPRSA-N 1 3 358.530 2.851 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418634051 513584068 /nfs/dbraw/zinc/58/40/68/513584068.db2.gz JASZQDNKCCKTTB-QUCCMNQESA-N 1 3 356.514 2.533 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418634485 513584827 /nfs/dbraw/zinc/58/48/27/513584827.db2.gz FMICOEUIWLUQBG-SFHVURJKSA-N 1 3 364.509 2.677 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418637936 513587323 /nfs/dbraw/zinc/58/73/23/513587323.db2.gz KDTZVOIZRVTAQW-SFHVURJKSA-N 1 3 364.509 2.677 20 0 FFADHO CCN1CCCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430205945 513587621 /nfs/dbraw/zinc/58/76/21/513587621.db2.gz VAPQLIVRDUVBMB-NRFANRHFSA-N 1 3 358.530 2.778 20 0 FFADHO CCN1CCCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430205945 513587629 /nfs/dbraw/zinc/58/76/29/513587629.db2.gz VAPQLIVRDUVBMB-NRFANRHFSA-N 1 3 358.530 2.778 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418645944 513589465 /nfs/dbraw/zinc/58/94/65/513589465.db2.gz SDFSQRXSPWSASC-GOSISDBHSA-N 1 3 362.518 2.664 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418645945 513590337 /nfs/dbraw/zinc/59/03/37/513590337.db2.gz SDFSQRXSPWSASC-SFHVURJKSA-N 1 3 362.518 2.664 20 0 FFADHO CN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000430238908 513594823 /nfs/dbraw/zinc/59/48/23/513594823.db2.gz LLSDZRSUYULHMX-IRLDBZIGSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000430238908 513594829 /nfs/dbraw/zinc/59/48/29/513594829.db2.gz LLSDZRSUYULHMX-IRLDBZIGSA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418662393 513600320 /nfs/dbraw/zinc/60/03/20/513600320.db2.gz SVTIHTPOHQIAMJ-PCCBWWKXSA-N 1 3 370.541 2.681 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416152853 513604698 /nfs/dbraw/zinc/60/46/98/513604698.db2.gz ZHXIQVIBIVZOSQ-IBGZPJMESA-N 1 3 361.530 2.685 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)C[C@H]1CCCN1C ZINC000422179558 513621322 /nfs/dbraw/zinc/62/13/22/513621322.db2.gz DUUGISOUTFCNGY-QWFCFKBJSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000422179556 513621546 /nfs/dbraw/zinc/62/15/46/513621546.db2.gz DUUGISOUTFCNGY-IZZBFERCSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000422179556 513621552 /nfs/dbraw/zinc/62/15/52/513621552.db2.gz DUUGISOUTFCNGY-IZZBFERCSA-N 1 3 372.557 2.879 20 0 FFADHO CN1C[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000416184271 513630885 /nfs/dbraw/zinc/63/08/85/513630885.db2.gz NLRJIEWUHLHONK-YADHBBJMSA-N 1 3 363.505 2.649 20 0 FFADHO CN1C[C@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000416184271 513630888 /nfs/dbraw/zinc/63/08/88/513630888.db2.gz NLRJIEWUHLHONK-YADHBBJMSA-N 1 3 363.505 2.649 20 0 FFADHO C[NH+](C)[C@@H](CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccccc1 ZINC000416234395 513663830 /nfs/dbraw/zinc/66/38/30/513663830.db2.gz NVDPJAKSAIQYIL-SFTDATJTSA-N 1 3 367.493 2.885 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448044709 513664416 /nfs/dbraw/zinc/66/44/16/513664416.db2.gz WLEZOLQPKHCJRQ-QZTJIDSGSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448044709 513664418 /nfs/dbraw/zinc/66/44/18/513664418.db2.gz WLEZOLQPKHCJRQ-QZTJIDSGSA-N 1 3 352.567 2.774 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC000425648531 513678462 /nfs/dbraw/zinc/67/84/62/513678462.db2.gz UYDVBUDYVJBCGP-SLFFLAALSA-N 1 3 358.530 2.587 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC000425648531 513678466 /nfs/dbraw/zinc/67/84/66/513678466.db2.gz UYDVBUDYVJBCGP-SLFFLAALSA-N 1 3 358.530 2.587 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425665606 513688968 /nfs/dbraw/zinc/68/89/68/513688968.db2.gz XOBQTHOBIABNLN-IJXRJRJASA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425665606 513688975 /nfs/dbraw/zinc/68/89/75/513688975.db2.gz XOBQTHOBIABNLN-IJXRJRJASA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000425692689 513704595 /nfs/dbraw/zinc/70/45/95/513704595.db2.gz QDBAHCPCTBMNSL-GFOJFJKKSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000425692689 513704601 /nfs/dbraw/zinc/70/46/01/513704601.db2.gz QDBAHCPCTBMNSL-GFOJFJKKSA-N 1 3 370.541 2.775 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000448256836 513721276 /nfs/dbraw/zinc/72/12/76/513721276.db2.gz ORAPGHQWYMBHRP-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCC[C@@H](C)C1 ZINC000430738192 513738648 /nfs/dbraw/zinc/73/86/48/513738648.db2.gz FCNTZUQZPMQITG-SJORKVTESA-N 1 3 356.514 2.840 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)C2(N)CCCCC2)CCOCC1)c1ccccc1 ZINC000430780647 513747308 /nfs/dbraw/zinc/74/73/08/513747308.db2.gz NQTZVAAHINPMLG-QGZVFWFLSA-N 1 3 359.514 2.664 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000425940979 513803824 /nfs/dbraw/zinc/80/38/24/513803824.db2.gz CKWBDHCKCZYIMP-JKSUJKDBSA-N 1 3 355.548 2.565 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000436270747 513814194 /nfs/dbraw/zinc/81/41/94/513814194.db2.gz PRHMHPVXNCQFME-UHFFFAOYSA-N 1 3 354.498 2.782 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436280997 513816877 /nfs/dbraw/zinc/81/68/77/513816877.db2.gz CUWZNAGYBCMIDA-YLJYHZDGSA-N 1 3 359.539 2.606 20 0 FFADHO [NH3+]CC[C@H]1CCCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000443060178 513856894 /nfs/dbraw/zinc/85/68/94/513856894.db2.gz OKNJXRCMHWUACC-LLVKDONJSA-N 1 3 369.391 2.581 20 0 FFADHO c1ccc(N2CCOCC2)c(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000436470368 513862182 /nfs/dbraw/zinc/86/21/82/513862182.db2.gz KCIBYBXAIOUWHR-UHFFFAOYSA-N 1 3 352.482 2.677 20 0 FFADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422700319 513906620 /nfs/dbraw/zinc/90/66/20/513906620.db2.gz GKSBRRSILKAQDI-QHAWAJNXSA-N 1 3 357.542 2.570 20 0 FFADHO COCCN(C)CCOc1cccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422713231 513910008 /nfs/dbraw/zinc/91/00/08/513910008.db2.gz PMNOEMYHBADXEY-VXKWHMMOSA-N 1 3 369.509 2.878 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422720408 513912746 /nfs/dbraw/zinc/91/27/46/513912746.db2.gz ZKLVQGHQJCGLOM-KNQAVFIVSA-N 1 3 358.574 2.834 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000422722580 513914017 /nfs/dbraw/zinc/91/40/17/513914017.db2.gz YKJXTCPSDCSVKR-HSQYWUDLSA-N 1 3 371.500 2.747 20 0 FFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422748488 513920598 /nfs/dbraw/zinc/92/05/98/513920598.db2.gz USWDFRJDTSJREV-BQJUDKOJSA-N 1 3 373.541 2.579 20 0 FFADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C(C)C)n1 ZINC000448838802 513923445 /nfs/dbraw/zinc/92/34/45/513923445.db2.gz XJHPPEMXPLDFTJ-UHFFFAOYSA-N 1 3 358.530 2.802 20 0 FFADHO Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422790381 513933082 /nfs/dbraw/zinc/93/30/82/513933082.db2.gz TZGAQFSHIOIKDL-PGRDOPGGSA-N 1 3 368.525 2.881 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000422788575 513933355 /nfs/dbraw/zinc/93/33/55/513933355.db2.gz SKMCHZJMDLABJE-ROUUACIJSA-N 1 3 367.541 2.710 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2c(F)cccc2OC)CC[NH2+]CC1 ZINC000422795965 513934362 /nfs/dbraw/zinc/93/43/62/513934362.db2.gz XCEHNSJQCHIWLI-KBPBESRZSA-N 1 3 352.450 2.806 20 0 FFADHO COc1cc(OC)c(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c(OC)c1 ZINC000422890107 513966197 /nfs/dbraw/zinc/96/61/97/513966197.db2.gz REMRLWVBOZRBGJ-HNAYVOBHSA-N 1 3 358.482 2.803 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COc1ccc(C(F)(F)F)cc1 ZINC000422903822 513971391 /nfs/dbraw/zinc/97/13/91/513971391.db2.gz WQYZJSUEYAWJOC-NRSFXHEJSA-N 1 3 372.431 2.955 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000416810029 513976267 /nfs/dbraw/zinc/97/62/67/513976267.db2.gz QKLVOUJMIQGROL-FQEVSTJZSA-N 1 3 354.498 2.502 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cc2)C[C@H](C)O1 ZINC000422942044 513983880 /nfs/dbraw/zinc/98/38/80/513983880.db2.gz JXHPJHWCZHZVKD-WOUAJJJCSA-N 1 3 359.514 2.686 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422944346 513986541 /nfs/dbraw/zinc/98/65/41/513986541.db2.gz MAWGNDXOMMXGLT-YOEHRIQHSA-N 1 3 364.461 2.950 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416828307 513986994 /nfs/dbraw/zinc/98/69/94/513986994.db2.gz DPYZIRUJRHHJQU-JKSUJKDBSA-N 1 3 352.548 2.804 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422955147 513990252 /nfs/dbraw/zinc/99/02/52/513990252.db2.gz ITJWZEJMTBAUSV-UKRRQHHQSA-N 1 3 358.873 2.958 20 0 FFADHO N=C1Nc2nc3ccccc3n2C2(CC[NH+](CCC(F)(F)F)CC2)N1 ZINC000414171390 513996205 /nfs/dbraw/zinc/99/62/05/513996205.db2.gz UVZSHIHYTLASBV-UHFFFAOYSA-N 1 3 352.364 2.687 20 0 FFADHO [NH3+][C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000416841356 513997605 /nfs/dbraw/zinc/99/76/05/513997605.db2.gz LTNGFZYNSSISDY-IRXDYDNUSA-N 1 3 358.511 2.884 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000416843643 513998360 /nfs/dbraw/zinc/99/83/60/513998360.db2.gz PBOPSSKALRHARK-HOTGVXAUSA-N 1 3 350.532 2.655 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCCc3ccc(F)cc32)(N2CCOCC2)CC1 ZINC000414180482 513999865 /nfs/dbraw/zinc/99/98/65/513999865.db2.gz BFUATTOCKQIHTN-HXUWFJFHSA-N 1 3 361.505 2.589 20 0 FFADHO Cc1ccc(C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CC2)cc1 ZINC000414191336 514004747 /nfs/dbraw/zinc/00/47/47/514004747.db2.gz LJGZPWCLYIMWCW-QFIPXVFZSA-N 1 3 371.569 2.702 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)N2CCCC2)c1 ZINC000416853934 514005091 /nfs/dbraw/zinc/00/50/91/514005091.db2.gz OMYAUHXUNJXKRD-VQTJNVASSA-N 1 3 374.529 2.649 20 0 FFADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205276 514011240 /nfs/dbraw/zinc/01/12/40/514011240.db2.gz XHRKJLIZWCKXDU-NRFANRHFSA-N 1 3 359.558 2.784 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](CCOC)c2ccc(C)o2)CC[NH2+]CC1 ZINC000423040628 514015698 /nfs/dbraw/zinc/01/56/98/514015698.db2.gz HQWZQUUBHBVICI-JKSUJKDBSA-N 1 3 352.475 2.577 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](CCOC)c2ccc(C)o2)CC[NH2+]CC1 ZINC000423040627 514015921 /nfs/dbraw/zinc/01/59/21/514015921.db2.gz HQWZQUUBHBVICI-HZPDHXFCSA-N 1 3 352.475 2.577 20 0 FFADHO C[N@H+](CCCNC(=O)NCc1ccc2c(c1)CNC2)Cc1ccccc1 ZINC000416880941 514020556 /nfs/dbraw/zinc/02/05/56/514020556.db2.gz YUPMFURCVZRGAM-UHFFFAOYSA-N 1 3 352.482 2.611 20 0 FFADHO C[N@@H+](CCCNC(=O)NCc1ccc2c(c1)CNC2)Cc1ccccc1 ZINC000416880941 514020562 /nfs/dbraw/zinc/02/05/62/514020562.db2.gz YUPMFURCVZRGAM-UHFFFAOYSA-N 1 3 352.482 2.611 20 0 FFADHO C[C@]1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423058811 514022685 /nfs/dbraw/zinc/02/26/85/514022685.db2.gz DEZAFVFVHODCTA-FNAHDJPLSA-N 1 3 357.542 2.788 20 0 FFADHO Cc1ccc(C[C@H](CO)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423059294 514023288 /nfs/dbraw/zinc/02/32/88/514023288.db2.gz LNSGJMUNDZIYPC-KAGYGMCKSA-N 1 3 352.478 2.744 20 0 FFADHO CCCN1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2OCC)CC1 ZINC000414270470 514027712 /nfs/dbraw/zinc/02/77/12/514027712.db2.gz PYPXSXFDWZOUMF-IFMALSPDSA-N 1 3 359.558 2.988 20 0 FFADHO FC(F)(F)c1ccc(OCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000423080912 514033263 /nfs/dbraw/zinc/03/32/63/514033263.db2.gz TZYBGUQLJGDAKN-OWCLPIDISA-N 1 3 373.419 2.616 20 0 FFADHO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426769998 514037491 /nfs/dbraw/zinc/03/74/91/514037491.db2.gz NWEHTXOETSAZNV-GBESFXJTSA-N 1 3 365.562 2.599 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000414304439 514041322 /nfs/dbraw/zinc/04/13/22/514041322.db2.gz MJNJMNDIWLGAOG-YSIASYRMSA-N 1 3 374.525 2.581 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423112577 514047643 /nfs/dbraw/zinc/04/76/43/514047643.db2.gz SAHVYGHUHALAPU-IPMKNSEASA-N 1 3 355.482 2.573 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423112577 514047650 /nfs/dbraw/zinc/04/76/50/514047650.db2.gz SAHVYGHUHALAPU-IPMKNSEASA-N 1 3 355.482 2.573 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000416928956 514050773 /nfs/dbraw/zinc/05/07/73/514050773.db2.gz VWOUSMQZNJGNON-MJGOQNOKSA-N 1 3 362.518 2.519 20 0 FFADHO Cc1cncc([C@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414334868 514053219 /nfs/dbraw/zinc/05/32/19/514053219.db2.gz GKNZLPPNDPJRIN-KRWDZBQOSA-N 1 3 366.509 2.938 20 0 FFADHO Cc1cncc([C@@H](C)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414334870 514053889 /nfs/dbraw/zinc/05/38/89/514053889.db2.gz GKNZLPPNDPJRIN-QGZVFWFLSA-N 1 3 366.509 2.938 20 0 FFADHO C[C@@H](C[NH2+]CCCN1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449063340 514057185 /nfs/dbraw/zinc/05/71/85/514057185.db2.gz PFUCERHVNLXMCQ-KRWDZBQOSA-N 1 3 352.544 2.905 20 0 FFADHO C[C@@H](CNCCC[NH+]1CCC(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449063340 514057187 /nfs/dbraw/zinc/05/71/87/514057187.db2.gz PFUCERHVNLXMCQ-KRWDZBQOSA-N 1 3 352.544 2.905 20 0 FFADHO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1OC ZINC000423141324 514058012 /nfs/dbraw/zinc/05/80/12/514058012.db2.gz PIZCFCPHQYCIJV-UEXGIBASSA-N 1 3 356.466 2.732 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(C(N)=O)CCOCC2)CC1 ZINC000449074953 514062065 /nfs/dbraw/zinc/06/20/65/514062065.db2.gz LVIWUCNKNNVORG-UHFFFAOYSA-N 1 3 353.551 2.537 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423168137 514068235 /nfs/dbraw/zinc/06/82/35/514068235.db2.gz GVSVBZDLWNMUBI-KEYYUXOJSA-N 1 3 373.310 2.846 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000416961427 514069020 /nfs/dbraw/zinc/06/90/20/514069020.db2.gz PJMFGPCGRZRXHX-NRFANRHFSA-N 1 3 366.509 2.952 20 0 FFADHO Cc1c([C@H](C)NCCCN2CC[NH2+]CC2)cnn1-c1cc(C)ccc1C ZINC000423177617 514069266 /nfs/dbraw/zinc/06/92/66/514069266.db2.gz JDIXAJBQBWHBRV-SFHVURJKSA-N 1 3 355.530 2.743 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000416968214 514074279 /nfs/dbraw/zinc/07/42/79/514074279.db2.gz YKCHCNBYCFOMEY-NRFANRHFSA-N 1 3 366.509 2.952 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449107946 514075567 /nfs/dbraw/zinc/07/55/67/514075567.db2.gz PIPMKIBDLSBYQW-UNMCSNQZSA-N 1 3 351.494 2.857 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN[C@@H](C)[C@H]3C)cc2)C1 ZINC000416969516 514076050 /nfs/dbraw/zinc/07/60/50/514076050.db2.gz KRSPWRHYFUTVBN-FGTMMUONSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN[C@@H](C)[C@H]3C)cc2)C1 ZINC000416969516 514076055 /nfs/dbraw/zinc/07/60/55/514076055.db2.gz KRSPWRHYFUTVBN-FGTMMUONSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000416972245 514077689 /nfs/dbraw/zinc/07/76/89/514077689.db2.gz RPMMUGWOPXSQMY-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000416972245 514077697 /nfs/dbraw/zinc/07/76/97/514077697.db2.gz RPMMUGWOPXSQMY-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO COc1ccc(CCC(=O)N2CCCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420307079 514082148 /nfs/dbraw/zinc/08/21/48/514082148.db2.gz QXQBQNJQXAXXPO-HXUWFJFHSA-N 1 3 373.541 2.552 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132935 514085303 /nfs/dbraw/zinc/08/53/03/514085303.db2.gz WJVYGQFRCQAKTH-SJORKVTESA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132935 514085309 /nfs/dbraw/zinc/08/53/09/514085309.db2.gz WJVYGQFRCQAKTH-SJORKVTESA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132935 514085315 /nfs/dbraw/zinc/08/53/15/514085315.db2.gz WJVYGQFRCQAKTH-SJORKVTESA-N 1 3 352.544 2.904 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423265797 514096528 /nfs/dbraw/zinc/09/65/28/514096528.db2.gz CZVXNCHBPZADBM-VDZJLULYSA-N 1 3 367.559 2.885 20 0 FFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1cccc(Br)c1 ZINC000420366129 514111280 /nfs/dbraw/zinc/11/12/80/514111280.db2.gz QZZHJJYCDYMCEX-CQSZACIVSA-N 1 3 354.292 2.755 20 0 FFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000420366129 514111287 /nfs/dbraw/zinc/11/12/87/514111287.db2.gz QZZHJJYCDYMCEX-CQSZACIVSA-N 1 3 354.292 2.755 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000417011744 514117166 /nfs/dbraw/zinc/11/71/66/514117166.db2.gz SVLLTDAYBGXUAM-WMZOPIPTSA-N 1 3 352.548 2.820 20 0 FFADHO CCCOc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423372937 514120526 /nfs/dbraw/zinc/12/05/26/514120526.db2.gz BQJXREXVPGZMET-RHSMWYFYSA-N 1 3 359.436 2.962 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417015431 514121036 /nfs/dbraw/zinc/12/10/36/514121036.db2.gz MJOAQKJMHNJPIZ-IRLDBZIGSA-N 1 3 370.541 2.608 20 0 FFADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391883 514126805 /nfs/dbraw/zinc/12/68/05/514126805.db2.gz PQBBJXOSFNIKGM-IRXDYDNUSA-N 1 3 371.447 2.843 20 0 FFADHO CCc1nc(C)c([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423396059 514127968 /nfs/dbraw/zinc/12/79/68/514127968.db2.gz SYLMOBZYQUJQTP-ZYHUDNBSSA-N 1 3 350.454 2.501 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449251110 514130785 /nfs/dbraw/zinc/13/07/85/514130785.db2.gz QUKSQTXPMFGGBO-NHCUHLMSSA-N 1 3 372.601 2.698 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420412587 514138360 /nfs/dbraw/zinc/13/83/60/514138360.db2.gz SILCSLUDCPJZCN-ZDFPQIBNSA-N 1 3 354.494 2.675 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420412587 514138368 /nfs/dbraw/zinc/13/83/68/514138368.db2.gz SILCSLUDCPJZCN-ZDFPQIBNSA-N 1 3 354.494 2.675 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417046986 514141436 /nfs/dbraw/zinc/14/14/36/514141436.db2.gz ZYXPROPDRKWKDN-PWRODBHTSA-N 1 3 370.541 2.855 20 0 FFADHO CSc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1F ZINC000423448474 514143424 /nfs/dbraw/zinc/14/34/24/514143424.db2.gz FGFSISSQLGBQJU-FXHACXQTSA-N 1 3 365.518 2.845 20 0 FFADHO C[C@H](CCc1ccccc1)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414488095 514147026 /nfs/dbraw/zinc/14/70/26/514147026.db2.gz SZQAACAIHXNAKS-HXUWFJFHSA-N 1 3 359.558 2.642 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCNCC2(F)F)CC1 ZINC000423478660 514149453 /nfs/dbraw/zinc/14/94/53/514149453.db2.gz NMVKZUDOMZALAQ-FUHWJXTLSA-N 1 3 351.485 2.916 20 0 FFADHO NC1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C2CC3CC(C2)CC1C3 ZINC000423533575 514163866 /nfs/dbraw/zinc/16/38/66/514163866.db2.gz XXSPBRJBXBMLSR-UHFFFAOYSA-N 1 3 357.498 2.627 20 0 FFADHO [NH3+]C1(CNC2CCN(C(=O)c3ccoc3)CC2)C2CC3CC(C2)CC1C3 ZINC000423533575 514163873 /nfs/dbraw/zinc/16/38/73/514163873.db2.gz XXSPBRJBXBMLSR-UHFFFAOYSA-N 1 3 357.498 2.627 20 0 FFADHO CC1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC000423653696 514193855 /nfs/dbraw/zinc/19/38/55/514193855.db2.gz ZNDSMDZATBTQSN-JOCHJYFZSA-N 1 3 355.526 2.891 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000449397668 514194632 /nfs/dbraw/zinc/19/46/32/514194632.db2.gz RIMIUVKWBDNNGU-WZYRSQIMSA-N 1 3 371.569 2.724 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCCC[NH2+]C2CC2)c2ccccc2)CC1 ZINC000417219310 514239151 /nfs/dbraw/zinc/23/91/51/514239151.db2.gz VSGNOKJFVYBPEU-HXUWFJFHSA-N 1 3 358.530 2.901 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000417220704 514240326 /nfs/dbraw/zinc/24/03/26/514240326.db2.gz YWYDGBJXKYPCLC-HKBOAZHASA-N 1 3 370.541 2.996 20 0 FFADHO CCc1nc(C)c(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000432620386 514243003 /nfs/dbraw/zinc/24/30/03/514243003.db2.gz SDTMANSVTPDYTN-HNNXBMFYSA-N 1 3 367.563 2.894 20 0 FFADHO CCc1nc(C)c(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000432620386 514243006 /nfs/dbraw/zinc/24/30/06/514243006.db2.gz SDTMANSVTPDYTN-HNNXBMFYSA-N 1 3 367.563 2.894 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000414702351 514248654 /nfs/dbraw/zinc/24/86/54/514248654.db2.gz AYNGIBQEKBZUGN-ZBFHGGJFSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000414702351 514248660 /nfs/dbraw/zinc/24/86/60/514248660.db2.gz AYNGIBQEKBZUGN-ZBFHGGJFSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC000414746436 514269652 /nfs/dbraw/zinc/26/96/52/514269652.db2.gz ZAZRYWIKAHREQR-JOCHJYFZSA-N 1 3 365.521 2.929 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC000414746436 514269660 /nfs/dbraw/zinc/26/96/60/514269660.db2.gz ZAZRYWIKAHREQR-JOCHJYFZSA-N 1 3 365.521 2.929 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432794912 514287100 /nfs/dbraw/zinc/28/71/00/514287100.db2.gz CXFWVUMVLMZOBO-UHFFFAOYSA-N 1 3 372.557 2.567 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432794912 514287107 /nfs/dbraw/zinc/28/71/07/514287107.db2.gz CXFWVUMVLMZOBO-UHFFFAOYSA-N 1 3 372.557 2.567 20 0 FFADHO [NH3+]C[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC12CCOCC2 ZINC000414791079 514294851 /nfs/dbraw/zinc/29/48/51/514294851.db2.gz QEQVYDSHTMLEOF-INIZCTEOSA-N 1 3 360.889 2.917 20 0 FFADHO COc1cc(CN(C)C[C@H]2CCCO2)cc(C[N@H+](C)C[C@H]2CCCO2)c1 ZINC000432862765 514304875 /nfs/dbraw/zinc/30/48/75/514304875.db2.gz GNPCZHZJNJMLPV-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN(C)C[C@H]2CCCO2)cc(C[N@@H+](C)C[C@H]2CCCO2)c1 ZINC000432862765 514304883 /nfs/dbraw/zinc/30/48/83/514304883.db2.gz GNPCZHZJNJMLPV-WOJBJXKFSA-N 1 3 362.514 2.917 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417367742 514316532 /nfs/dbraw/zinc/31/65/32/514316532.db2.gz PFMXWZFNIZZMKZ-IAGOWNOFSA-N 1 3 364.559 2.649 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420818312 514317990 /nfs/dbraw/zinc/31/79/90/514317990.db2.gz KYWNZXCMJIRNDV-IHJVYAAUSA-N 1 3 358.530 2.994 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417378011 514321212 /nfs/dbraw/zinc/32/12/12/514321212.db2.gz GSDDLDFQVMPABJ-GOSISDBHSA-N 1 3 366.575 2.975 20 0 FFADHO Clc1ccc(CNCCC[NH2+]Cc2cccnc2)c(-n2cncn2)c1 ZINC000414858447 514327625 /nfs/dbraw/zinc/32/76/25/514327625.db2.gz JJQQGIUNASMMHP-UHFFFAOYSA-N 1 3 356.861 2.585 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(OCCN(C)C)c2)cc1 ZINC000414879668 514337062 /nfs/dbraw/zinc/33/70/62/514337062.db2.gz IOSQHPBYPVOZKR-OAHLLOKOSA-N 1 3 356.470 2.968 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414911662 514353609 /nfs/dbraw/zinc/35/36/09/514353609.db2.gz XDRJCICASAGWDN-GXTWGEPZSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414941941 514366102 /nfs/dbraw/zinc/36/61/02/514366102.db2.gz CYIVCFIUOXNRPL-XUJVJEKNSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414941941 514366110 /nfs/dbraw/zinc/36/61/10/514366110.db2.gz CYIVCFIUOXNRPL-XUJVJEKNSA-N 1 3 354.292 2.896 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN[C@@H](C)[C@H]3C)c2)CC1 ZINC000417473120 514370137 /nfs/dbraw/zinc/37/01/37/514370137.db2.gz YKYSGRIGFWQACN-ZWKOTPCHSA-N 1 3 358.530 2.810 20 0 FFADHO FC(F)(F)[C@@H](CNCc1cccc(-c2ccccn2)c1)N1CC[NH2+]CC1 ZINC000414968052 514380566 /nfs/dbraw/zinc/38/05/66/514380566.db2.gz FKQSGYNHFVJYGY-GOSISDBHSA-N 1 3 364.415 2.674 20 0 FFADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCCN1C1CCCC1 ZINC000449847672 514387414 /nfs/dbraw/zinc/38/74/14/514387414.db2.gz GZGWSALVAOLKDJ-LJQANCHMSA-N 1 3 363.546 2.545 20 0 FFADHO Cc1cc(Br)cn2c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cnc12 ZINC000415002421 514396171 /nfs/dbraw/zinc/39/61/71/514396171.db2.gz DIYWKXBHBMZNQS-JKSUJKDBSA-N 1 3 363.303 2.883 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000438548249 514400995 /nfs/dbraw/zinc/40/09/95/514400995.db2.gz WFAHFFYUGFLDLF-FQEVSTJZSA-N 1 3 359.514 2.650 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000438548249 514401003 /nfs/dbraw/zinc/40/10/03/514401003.db2.gz WFAHFFYUGFLDLF-FQEVSTJZSA-N 1 3 359.514 2.650 20 0 FFADHO C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCN1 ZINC000417550250 514403442 /nfs/dbraw/zinc/40/34/42/514403442.db2.gz ZZDBRCSPMOEFBC-HNNXBMFYSA-N 1 3 364.921 2.555 20 0 FFADHO CCN(Cc1cc(C[N@@H+](CC)[C@H]2CCOC2)cc(OC)c1)[C@H]1CCOC1 ZINC000433178461 514408622 /nfs/dbraw/zinc/40/86/22/514408622.db2.gz CFLGOOURSOPNMJ-PMACEKPBSA-N 1 3 362.514 2.917 20 0 FFADHO CC(C)c1nc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n[nH]1 ZINC000428197679 514420491 /nfs/dbraw/zinc/42/04/91/514420491.db2.gz ARUIEHHITBJHEC-UHFFFAOYSA-N 1 3 362.566 2.556 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415063445 514423206 /nfs/dbraw/zinc/42/32/06/514423206.db2.gz IAXBXWIPHWYZQF-LIRRHRJNSA-N 1 3 372.513 2.859 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCCC[NH2+]C1CC1 ZINC000415065769 514424865 /nfs/dbraw/zinc/42/48/65/514424865.db2.gz HPAGTWYIDLEYND-GFCCVEGCSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCNC1CC1 ZINC000415065769 514424871 /nfs/dbraw/zinc/42/48/71/514424871.db2.gz HPAGTWYIDLEYND-GFCCVEGCSA-N 1 3 354.292 2.898 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415064606 514424956 /nfs/dbraw/zinc/42/49/56/514424956.db2.gz CYZOPVCAUADKKW-QGZVFWFLSA-N 1 3 362.543 2.542 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415073193 514429395 /nfs/dbraw/zinc/42/93/95/514429395.db2.gz YBJVTXMNKMFDFK-HNNXBMFYSA-N 1 3 350.532 2.527 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287516 514446613 /nfs/dbraw/zinc/44/66/13/514446613.db2.gz IXIRKHOXFUIVEN-LSDHHAIUSA-N 1 3 365.468 2.948 20 0 FFADHO COc1ccccc1[C@@H](C)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424294432 514448407 /nfs/dbraw/zinc/44/84/07/514448407.db2.gz QJGLITARIIDNQV-DLBZAZTESA-N 1 3 359.514 2.679 20 0 FFADHO CCCOCc1ccccc1CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424301975 514449657 /nfs/dbraw/zinc/44/96/57/514449657.db2.gz YOEQZZPWNVCHOV-SFHVURJKSA-N 1 3 373.541 2.693 20 0 FFADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433499831 514505173 /nfs/dbraw/zinc/50/51/73/514505173.db2.gz UIPCFJRLYLANML-IUODEOHRSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433499831 514505177 /nfs/dbraw/zinc/50/51/77/514505177.db2.gz UIPCFJRLYLANML-IUODEOHRSA-N 1 3 354.292 2.979 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@@H+]1C ZINC000465914161 514517554 /nfs/dbraw/zinc/51/75/54/514517554.db2.gz ADDYIGRQXOLGFG-DLBZAZTESA-N 1 3 368.591 2.520 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@H+]1C ZINC000465914161 514517563 /nfs/dbraw/zinc/51/75/63/514517563.db2.gz ADDYIGRQXOLGFG-DLBZAZTESA-N 1 3 368.591 2.520 20 0 FFADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCc2ccccc2C1 ZINC000475037886 514534053 /nfs/dbraw/zinc/53/40/53/514534053.db2.gz IHWBWOHZCCXVFU-FGZHOGPDSA-N 1 3 365.521 2.895 20 0 FFADHO C[C@@H]1CC[C@@H](C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)O1 ZINC000475043793 514534569 /nfs/dbraw/zinc/53/45/69/514534569.db2.gz FIKNOZXSHLNZAE-NQIIRXRSSA-N 1 3 373.541 2.514 20 0 FFADHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453078841 514538295 /nfs/dbraw/zinc/53/82/95/514538295.db2.gz KPCPZSNJIAOQBE-BHDDXSALSA-N 1 3 359.558 2.988 20 0 FFADHO O[C@@H](CN[C@H](Cc1ccccc1Br)C1CC1)C[NH+]1CCCC1 ZINC000453090713 514541015 /nfs/dbraw/zinc/54/10/15/514541015.db2.gz KVTCEBULTMFNFH-FUHWJXTLSA-N 1 3 367.331 2.817 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000466033874 514545180 /nfs/dbraw/zinc/54/51/80/514545180.db2.gz DDPSOIXIBOHMRR-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000466033874 514545181 /nfs/dbraw/zinc/54/51/81/514545181.db2.gz DDPSOIXIBOHMRR-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C ZINC000466042076 514545464 /nfs/dbraw/zinc/54/54/64/514545464.db2.gz XNEXEPOIXBRBLJ-CEXWTWQISA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C ZINC000466042080 514546844 /nfs/dbraw/zinc/54/68/44/514546844.db2.gz XNEXEPOIXBRBLJ-GUDVDZBRSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@@H+]1C ZINC000466054810 514549433 /nfs/dbraw/zinc/54/94/33/514549433.db2.gz XUTIJXUHFDGZJR-PBHICJAKSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[N@H+]1C ZINC000466054810 514549435 /nfs/dbraw/zinc/54/94/35/514549435.db2.gz XUTIJXUHFDGZJR-PBHICJAKSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466140499 514566206 /nfs/dbraw/zinc/56/62/06/514566206.db2.gz MGQFPRXZWZWNJT-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CN1Cc1ccccc1 ZINC000466140499 514566211 /nfs/dbraw/zinc/56/62/11/514566211.db2.gz MGQFPRXZWZWNJT-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)[C@H]1N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1(C)C ZINC000458106276 514570970 /nfs/dbraw/zinc/57/09/70/514570970.db2.gz CONLFRNGYHCNOB-GOSISDBHSA-N 1 3 350.551 2.621 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000466220732 514580073 /nfs/dbraw/zinc/58/00/73/514580073.db2.gz FCRUBRDODNEBND-OXJNMPFZSA-N 1 3 358.530 2.810 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466226506 514583848 /nfs/dbraw/zinc/58/38/48/514583848.db2.gz ONQVBXNZLFINLE-DYESRHJHSA-N 1 3 370.541 2.741 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCCC[C@H]1C ZINC000470752650 514595306 /nfs/dbraw/zinc/59/53/06/514595306.db2.gz AJVSXTCUOOUXTC-ZHALLVOQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCCC[C@H]1C ZINC000470752650 514595315 /nfs/dbraw/zinc/59/53/15/514595315.db2.gz AJVSXTCUOOUXTC-ZHALLVOQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCCC[C@H]1C ZINC000470752646 514595669 /nfs/dbraw/zinc/59/56/69/514595669.db2.gz AJVSXTCUOOUXTC-AOIWGVFYSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCCC[C@H]1C ZINC000470752646 514595674 /nfs/dbraw/zinc/59/56/74/514595674.db2.gz AJVSXTCUOOUXTC-AOIWGVFYSA-N 1 3 350.551 2.623 20 0 FFADHO CC/C=C/CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453331028 514601446 /nfs/dbraw/zinc/60/14/46/514601446.db2.gz VJANUSBYWCLRMV-MOEXGYKKSA-N 1 3 353.532 2.533 20 0 FFADHO CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475281518 514601719 /nfs/dbraw/zinc/60/17/19/514601719.db2.gz POXZNZZRZHDQBK-XUVXKRRUSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475281521 514602894 /nfs/dbraw/zinc/60/28/94/514602894.db2.gz POXZNZZRZHDQBK-ZCNNSNEGSA-N 1 3 358.530 2.775 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)CC1 ZINC000475301925 514611339 /nfs/dbraw/zinc/61/13/39/514611339.db2.gz XIJJWBRDIAZFQH-UHFFFAOYSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000466400184 514636640 /nfs/dbraw/zinc/63/66/40/514636640.db2.gz TZCUYBQVJBXQFN-OXQOHEQNSA-N 1 3 356.514 2.564 20 0 FFADHO O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@@H]2CCCCN12 ZINC000453436745 514638593 /nfs/dbraw/zinc/63/85/93/514638593.db2.gz LOZOJLCETATZGY-JRSUCEMESA-N 1 3 353.510 2.925 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000455620939 514639060 /nfs/dbraw/zinc/63/90/60/514639060.db2.gz SNNUDZVUDQTKKL-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000455620939 514639072 /nfs/dbraw/zinc/63/90/72/514639072.db2.gz SNNUDZVUDQTKKL-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470896668 514662342 /nfs/dbraw/zinc/66/23/42/514662342.db2.gz HKGWONVOZJUTQI-LMMKCTJWSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470896668 514662349 /nfs/dbraw/zinc/66/23/49/514662349.db2.gz HKGWONVOZJUTQI-LMMKCTJWSA-N 1 3 350.551 2.623 20 0 FFADHO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000479698800 514692893 /nfs/dbraw/zinc/69/28/93/514692893.db2.gz GHOKAVZYJQQNFM-IBGZPJMESA-N 1 3 357.498 2.804 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cnc(C)cn2)CC1 ZINC000453594348 514711106 /nfs/dbraw/zinc/71/11/06/514711106.db2.gz IDDBIRRJRBIUOL-UHFFFAOYSA-N 1 3 353.514 2.649 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)[C@H]1c1cccs1 ZINC000458419606 514782334 /nfs/dbraw/zinc/78/23/34/514782334.db2.gz HIZXKZSPVTWAAO-HOCLYGCPSA-N 1 3 352.548 2.770 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000498161309 514784898 /nfs/dbraw/zinc/78/48/98/514784898.db2.gz HNXSZGWRPZAJNY-UHFFFAOYSA-N 1 3 372.557 2.603 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000489329558 514801326 /nfs/dbraw/zinc/80/13/26/514801326.db2.gz VNASZJBASCNWRK-HZEGPAAWSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000489329558 514801333 /nfs/dbraw/zinc/80/13/33/514801333.db2.gz VNASZJBASCNWRK-HZEGPAAWSA-N 1 3 370.541 2.823 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000508545235 514815934 /nfs/dbraw/zinc/81/59/34/514815934.db2.gz IKRDAWRMJZNLSP-RTWAWAEBSA-N 1 3 373.541 2.658 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000508545235 514815937 /nfs/dbraw/zinc/81/59/37/514815937.db2.gz IKRDAWRMJZNLSP-RTWAWAEBSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489366736 514816730 /nfs/dbraw/zinc/81/67/30/514816730.db2.gz KLWOIHRLPGKCNW-HKUYNNGSSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489366736 514816737 /nfs/dbraw/zinc/81/67/37/514816737.db2.gz KLWOIHRLPGKCNW-HKUYNNGSSA-N 1 3 362.562 2.767 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccc(C)cc2)CC1 ZINC000466918259 514826139 /nfs/dbraw/zinc/82/61/39/514826139.db2.gz XVOVWHOFKFRSEC-JOCHJYFZSA-N 1 3 367.537 2.830 20 0 FFADHO CC[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)N1CCc2ccccc2C1 ZINC000502948921 514853746 /nfs/dbraw/zinc/85/37/46/514853746.db2.gz FJMPMENCOQUEDU-YLJYHZDGSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)N1CCc2ccccc2C1 ZINC000502948921 514853755 /nfs/dbraw/zinc/85/37/55/514853755.db2.gz FJMPMENCOQUEDU-YLJYHZDGSA-N 1 3 358.530 2.559 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000503090023 514915686 /nfs/dbraw/zinc/91/56/86/514915686.db2.gz APGLXIYEGGHUOA-GOSISDBHSA-N 1 3 364.509 2.850 20 0 FFADHO CN(C)[C@@]1(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCSC1 ZINC000480396126 514942755 /nfs/dbraw/zinc/94/27/55/514942755.db2.gz OQZQHJGZIUIITD-HXUWFJFHSA-N 1 3 361.555 2.840 20 0 FFADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476250531 514966444 /nfs/dbraw/zinc/96/64/44/514966444.db2.gz CNCSPJNSUNFTMR-QUCCMNQESA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476250531 514966455 /nfs/dbraw/zinc/96/64/55/514966455.db2.gz CNCSPJNSUNFTMR-QUCCMNQESA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000489846448 514999100 /nfs/dbraw/zinc/99/91/00/514999100.db2.gz NIDAEFWUEAVPQX-HBFSDRIKSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000489846448 514999106 /nfs/dbraw/zinc/99/91/06/514999106.db2.gz NIDAEFWUEAVPQX-HBFSDRIKSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccc(F)cc1 ZINC000503376429 515014891 /nfs/dbraw/zinc/01/48/91/515014891.db2.gz SLZDOASUWDNLPK-QZTJIDSGSA-N 1 3 364.509 2.848 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccc(F)cc1 ZINC000503376429 515014898 /nfs/dbraw/zinc/01/48/98/515014898.db2.gz SLZDOASUWDNLPK-QZTJIDSGSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498688761 515024762 /nfs/dbraw/zinc/02/47/62/515024762.db2.gz HXMYZRNOFCCQBX-DSKINZAPSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498688761 515024774 /nfs/dbraw/zinc/02/47/74/515024774.db2.gz HXMYZRNOFCCQBX-DSKINZAPSA-N 1 3 370.541 2.775 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)CC[NH+]2CCCC2)N2CCCC2)cc1 ZINC000503493345 515053017 /nfs/dbraw/zinc/05/30/17/515053017.db2.gz KMNIOFFISJLZGK-HXUWFJFHSA-N 1 3 374.529 2.569 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000458737102 515054825 /nfs/dbraw/zinc/05/48/25/515054825.db2.gz PGFMMDFDPIKVBH-CTNGQTDRSA-N 1 3 362.562 2.911 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000458737102 515054833 /nfs/dbraw/zinc/05/48/33/515054833.db2.gz PGFMMDFDPIKVBH-CTNGQTDRSA-N 1 3 362.562 2.911 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccco1 ZINC000458751935 515064192 /nfs/dbraw/zinc/06/41/92/515064192.db2.gz CATBJODIBAIZFN-YESZJQIVSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccco1 ZINC000458751935 515064204 /nfs/dbraw/zinc/06/42/04/515064204.db2.gz CATBJODIBAIZFN-YESZJQIVSA-N 1 3 350.507 2.833 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1=CCN(C)CC1 ZINC000498793063 515069609 /nfs/dbraw/zinc/06/96/09/515069609.db2.gz OETWGMMSIVLSMQ-BPLDGKMQSA-N 1 3 361.452 2.662 20 0 FFADHO C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1=CCN(C)CC1 ZINC000498793063 515069619 /nfs/dbraw/zinc/06/96/19/515069619.db2.gz OETWGMMSIVLSMQ-BPLDGKMQSA-N 1 3 361.452 2.662 20 0 FFADHO C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1=CCN(C)CC1 ZINC000498793064 515069672 /nfs/dbraw/zinc/06/96/72/515069672.db2.gz OETWGMMSIVLSMQ-NWANDNLSSA-N 1 3 361.452 2.662 20 0 FFADHO C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1=CCN(C)CC1 ZINC000498793064 515069682 /nfs/dbraw/zinc/06/96/82/515069682.db2.gz OETWGMMSIVLSMQ-NWANDNLSSA-N 1 3 361.452 2.662 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485618275 515114650 /nfs/dbraw/zinc/11/46/50/515114650.db2.gz GOJGCXRDXPYENL-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485618275 515114662 /nfs/dbraw/zinc/11/46/62/515114662.db2.gz GOJGCXRDXPYENL-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000485631910 515119443 /nfs/dbraw/zinc/11/94/43/515119443.db2.gz WOYRRUOKIJAYHK-PBASOCQRSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000485631910 515119452 /nfs/dbraw/zinc/11/94/52/515119452.db2.gz WOYRRUOKIJAYHK-PBASOCQRSA-N 1 3 370.541 2.948 20 0 FFADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1 ZINC000467863427 515148802 /nfs/dbraw/zinc/14/88/02/515148802.db2.gz KWLJQJYJBRRPNO-LJQANCHMSA-N 1 3 353.938 2.771 20 0 FFADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000481026692 515178634 /nfs/dbraw/zinc/17/86/34/515178634.db2.gz SFAITHWKNXLYAS-VQIMIIECSA-N 1 3 362.518 2.668 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000485813622 515199197 /nfs/dbraw/zinc/19/91/97/515199197.db2.gz OJSQWJSUVPBKLY-AHRSYUTCSA-N 1 3 357.542 2.773 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000485813622 515199202 /nfs/dbraw/zinc/19/92/02/515199202.db2.gz OJSQWJSUVPBKLY-AHRSYUTCSA-N 1 3 357.542 2.773 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499141609 515217920 /nfs/dbraw/zinc/21/79/20/515217920.db2.gz MJBWQSAIJFFDQW-ACDBMABISA-N 1 3 351.498 2.941 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499141609 515217931 /nfs/dbraw/zinc/21/79/31/515217931.db2.gz MJBWQSAIJFFDQW-ACDBMABISA-N 1 3 351.498 2.941 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CN1Cc1ccccc1 ZINC000499198546 515234516 /nfs/dbraw/zinc/23/45/16/515234516.db2.gz WIDREHKYKVXCTI-QCFAMHMHSA-N 1 3 370.541 2.918 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462784934 515241992 /nfs/dbraw/zinc/24/19/92/515241992.db2.gz KXSYFPCBEODKHS-QGZVFWFLSA-N 1 3 361.530 2.758 20 0 FFADHO CCN1CCCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458985310 515250197 /nfs/dbraw/zinc/25/01/97/515250197.db2.gz XHDPNVPPMKMIGM-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CCN1CCCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458985310 515250206 /nfs/dbraw/zinc/25/02/06/515250206.db2.gz XHDPNVPPMKMIGM-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000485996769 515291910 /nfs/dbraw/zinc/29/19/10/515291910.db2.gz ANKVEVHISVZBAE-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCN1C ZINC000477041857 515300380 /nfs/dbraw/zinc/30/03/80/515300380.db2.gz GTDVUUGYJDTGAC-LSTHTHJFSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCN1C ZINC000477041857 515300390 /nfs/dbraw/zinc/30/03/90/515300390.db2.gz GTDVUUGYJDTGAC-LSTHTHJFSA-N 1 3 358.530 2.679 20 0 FFADHO COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1OCCC(C)C ZINC000504446237 515306891 /nfs/dbraw/zinc/30/68/91/515306891.db2.gz PGRIOMHYLWSDFQ-IBGZPJMESA-N 1 3 361.530 2.600 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000459187376 515384351 /nfs/dbraw/zinc/38/43/51/515384351.db2.gz KUFLDHFTGKXRHI-OALUTQOASA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000459187376 515384356 /nfs/dbraw/zinc/38/43/56/515384356.db2.gz KUFLDHFTGKXRHI-OALUTQOASA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000477267372 515393043 /nfs/dbraw/zinc/39/30/43/515393043.db2.gz SCBZWOSFEFUKNX-SJLPKXTDSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000477267372 515393051 /nfs/dbraw/zinc/39/30/51/515393051.db2.gz SCBZWOSFEFUKNX-SJLPKXTDSA-N 1 3 350.551 2.765 20 0 FFADHO COC(=O)CCCN1CCC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000463236118 515411528 /nfs/dbraw/zinc/41/15/28/515411528.db2.gz JHLKNRYXQNIVEG-ROUUACIJSA-N 1 3 365.562 2.647 20 0 FFADHO CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459269786 515435493 /nfs/dbraw/zinc/43/54/93/515435493.db2.gz UOZSAHFTAAIJJW-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459269786 515435506 /nfs/dbraw/zinc/43/55/06/515435506.db2.gz UOZSAHFTAAIJJW-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO C[N@H+](CCNC(=O)CCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000468737859 515496111 /nfs/dbraw/zinc/49/61/11/515496111.db2.gz FVLFPYBDWQNFDK-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO C[N@@H+](CCNC(=O)CCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000468737859 515496121 /nfs/dbraw/zinc/49/61/21/515496121.db2.gz FVLFPYBDWQNFDK-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000468741654 515497561 /nfs/dbraw/zinc/49/75/61/515497561.db2.gz CFQGVAUHJNQJHM-ICSRJNTNSA-N 1 3 360.546 2.880 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000468741652 515497707 /nfs/dbraw/zinc/49/77/07/515497707.db2.gz CFQGVAUHJNQJHM-AZUAARDMSA-N 1 3 360.546 2.880 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000454463117 515509232 /nfs/dbraw/zinc/50/92/32/515509232.db2.gz USRKPIWSKQZZSL-MOPGFXCFSA-N 1 3 362.562 2.765 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000477574230 515512050 /nfs/dbraw/zinc/51/20/50/515512050.db2.gz SEXFEOUXOXGWPF-UHFFFAOYSA-N 1 3 367.559 2.683 20 0 FFADHO Cn1nccc1-c1ccccc1C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000510390836 515526060 /nfs/dbraw/zinc/52/60/60/515526060.db2.gz FJRFYQHRRZARJR-UHFFFAOYSA-N 1 3 367.541 2.735 20 0 FFADHO Cn1nccc1-c1ccccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000510390836 515526070 /nfs/dbraw/zinc/52/60/70/515526070.db2.gz FJRFYQHRRZARJR-UHFFFAOYSA-N 1 3 367.541 2.735 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000499970778 515540719 /nfs/dbraw/zinc/54/07/19/515540719.db2.gz VFQBHXKMNHKYRW-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000499970778 515540725 /nfs/dbraw/zinc/54/07/25/515540725.db2.gz VFQBHXKMNHKYRW-LJQANCHMSA-N 1 3 352.567 2.872 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000459421795 515541969 /nfs/dbraw/zinc/54/19/69/515541969.db2.gz WYCHXWJZAHOJMU-GHTZIAJQSA-N 1 3 360.546 2.777 20 0 FFADHO Clc1cccnc1N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459436406 515549951 /nfs/dbraw/zinc/54/99/51/515549951.db2.gz PSDUKVANOWYDCZ-INIZCTEOSA-N 1 3 357.889 2.967 20 0 FFADHO CCOc1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1O ZINC000459488104 515587086 /nfs/dbraw/zinc/58/70/86/515587086.db2.gz SASAYYVCJRLYCY-UHFFFAOYSA-N 1 3 361.530 2.640 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000454605385 515602884 /nfs/dbraw/zinc/60/28/84/515602884.db2.gz MTNITRUWHWLWEK-LJQANCHMSA-N 1 3 370.541 2.825 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000454605385 515602893 /nfs/dbraw/zinc/60/28/93/515602893.db2.gz MTNITRUWHWLWEK-LJQANCHMSA-N 1 3 370.541 2.825 20 0 FFADHO CC[NH+]1CCC(NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000454616904 515613298 /nfs/dbraw/zinc/61/32/98/515613298.db2.gz KSYNAIAYUSAKJC-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000454651325 515640793 /nfs/dbraw/zinc/64/07/93/515640793.db2.gz UWYCMRHKEHKPOX-LJQANCHMSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000454657008 515646280 /nfs/dbraw/zinc/64/62/80/515646280.db2.gz ZQCULECKWIROCB-QWFCFKBJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@H+]1C ZINC000454657008 515646287 /nfs/dbraw/zinc/64/62/87/515646287.db2.gz ZQCULECKWIROCB-QWFCFKBJSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2o1 ZINC000505743370 515653533 /nfs/dbraw/zinc/65/35/33/515653533.db2.gz GQRKQQDBEKCQCC-QGZVFWFLSA-N 1 3 372.513 2.635 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2o1 ZINC000505743370 515653538 /nfs/dbraw/zinc/65/35/38/515653538.db2.gz GQRKQQDBEKCQCC-QGZVFWFLSA-N 1 3 372.513 2.635 20 0 FFADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000486985386 515708492 /nfs/dbraw/zinc/70/84/92/515708492.db2.gz HOJRXRVEQGBATQ-GOSISDBHSA-N 1 3 367.497 2.536 20 0 FFADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459675855 515738895 /nfs/dbraw/zinc/73/88/95/515738895.db2.gz NHGBOTMEOPAZDI-LEWJYISDSA-N 1 3 355.526 2.998 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC000459730652 515775986 /nfs/dbraw/zinc/77/59/86/515775986.db2.gz FCFDKIPMDBBYOZ-MRXNPFEDSA-N 1 3 351.922 2.998 20 0 FFADHO C[N@H+]1CCC[C@H](CCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC000459730652 515775992 /nfs/dbraw/zinc/77/59/92/515775992.db2.gz FCFDKIPMDBBYOZ-MRXNPFEDSA-N 1 3 351.922 2.998 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000469434406 515815688 /nfs/dbraw/zinc/81/56/88/515815688.db2.gz PFMYAVFKCIRKTR-FXAWDEMLSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000469434406 515815697 /nfs/dbraw/zinc/81/56/97/515815697.db2.gz PFMYAVFKCIRKTR-FXAWDEMLSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000511227429 515833328 /nfs/dbraw/zinc/83/33/28/515833328.db2.gz BZALMNYLNICAIM-QGZVFWFLSA-N 1 3 350.551 2.694 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000482885482 515836019 /nfs/dbraw/zinc/83/60/19/515836019.db2.gz DONJWBVNDGSNPM-ICSRJNTNSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CCN(C2CCC2)C1 ZINC000487534589 515894749 /nfs/dbraw/zinc/89/47/49/515894749.db2.gz HELAPKSVQODVJB-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](CC)[C@@H](C)C3)cc2)CC1 ZINC000469685544 515917518 /nfs/dbraw/zinc/91/75/18/515917518.db2.gz XBGDBNYLUGJFLB-RXVVDRJESA-N 1 3 372.557 2.773 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](CC)[C@@H](C)C3)cc2)CC1 ZINC000469685544 515917529 /nfs/dbraw/zinc/91/75/29/515917529.db2.gz XBGDBNYLUGJFLB-RXVVDRJESA-N 1 3 372.557 2.773 20 0 FFADHO COC(=O)C[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000501022922 515940662 /nfs/dbraw/zinc/94/06/62/515940662.db2.gz KVUOYIIZOUHHGA-IBGZPJMESA-N 1 3 353.551 2.504 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000506654474 515944549 /nfs/dbraw/zinc/94/45/49/515944549.db2.gz PLMIOQVRBXPVFP-ZJOUEHCJSA-N 1 3 358.530 2.797 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000506654474 515944561 /nfs/dbraw/zinc/94/45/61/515944561.db2.gz PLMIOQVRBXPVFP-ZJOUEHCJSA-N 1 3 358.530 2.797 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C(C)C)C2CCCC2)[C@@H](C)C1 ZINC000469771358 515957611 /nfs/dbraw/zinc/95/76/11/515957611.db2.gz ZVNKUMSKHDMDPH-ICSRJNTNSA-N 1 3 367.578 2.893 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000455123158 515975732 /nfs/dbraw/zinc/97/57/32/515975732.db2.gz ZAJPBFOTNMHXKL-HXUWFJFHSA-N 1 3 358.530 2.826 20 0 FFADHO CCCCOc1ccccc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469864343 516003513 /nfs/dbraw/zinc/00/35/13/516003513.db2.gz RRRVQQRZTMRKQT-UYAOXDASSA-N 1 3 373.541 2.946 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@@H](C)C1 ZINC000487860006 516011448 /nfs/dbraw/zinc/01/14/48/516011448.db2.gz ODAOLLAJBLTJJI-SLFFLAALSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000469897925 516020658 /nfs/dbraw/zinc/02/06/58/516020658.db2.gz BOAKEHGUQDTYMF-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH+](C)C1CCN(CCN[C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479062495 516042268 /nfs/dbraw/zinc/04/22/68/516042268.db2.gz DAMCEJBGEVMIFH-NRFANRHFSA-N 1 3 367.541 2.865 20 0 FFADHO CN1CCCN(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495082789 516059898 /nfs/dbraw/zinc/05/98/98/516059898.db2.gz XSJQMZYHBHTNED-RXVVDRJESA-N 1 3 363.521 2.911 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)Cc1ccccc1 ZINC000501393285 516089214 /nfs/dbraw/zinc/08/92/14/516089214.db2.gz YODQPRFUPZNHII-LEWJYISDSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457733760 516106554 /nfs/dbraw/zinc/10/65/54/516106554.db2.gz KCPXYBHRIBCZOH-QZTJIDSGSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457733760 516106565 /nfs/dbraw/zinc/10/65/65/516106565.db2.gz KCPXYBHRIBCZOH-QZTJIDSGSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000483492065 516107891 /nfs/dbraw/zinc/10/78/91/516107891.db2.gz NVLPYXZGWFZOEK-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C ZINC000483492065 516107894 /nfs/dbraw/zinc/10/78/94/516107894.db2.gz NVLPYXZGWFZOEK-SXLOBPIMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000501523990 516138429 /nfs/dbraw/zinc/13/84/29/516138429.db2.gz VGQUTGOBBYGUGM-QRVBRYPASA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000465424678 516146059 /nfs/dbraw/zinc/14/60/59/516146059.db2.gz PKFXSKDEEFNAIG-BZUAXINKSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000465424678 516146069 /nfs/dbraw/zinc/14/60/69/516146069.db2.gz PKFXSKDEEFNAIG-BZUAXINKSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000465424679 516146093 /nfs/dbraw/zinc/14/60/93/516146093.db2.gz PKFXSKDEEFNAIG-OAGGEKHMSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000465424679 516146098 /nfs/dbraw/zinc/14/60/98/516146098.db2.gz PKFXSKDEEFNAIG-OAGGEKHMSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501547118 516148624 /nfs/dbraw/zinc/14/86/24/516148624.db2.gz RSAWDRWZVALXFG-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501547118 516148632 /nfs/dbraw/zinc/14/86/32/516148632.db2.gz RSAWDRWZVALXFG-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCc1ccccc1 ZINC000465443961 516156127 /nfs/dbraw/zinc/15/61/27/516156127.db2.gz CJJBLRUDRVPYQC-HXUWFJFHSA-N 1 3 360.546 2.677 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCc1ccccc1 ZINC000465443961 516156134 /nfs/dbraw/zinc/15/61/34/516156134.db2.gz CJJBLRUDRVPYQC-HXUWFJFHSA-N 1 3 360.546 2.677 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000483674429 516164562 /nfs/dbraw/zinc/16/45/62/516164562.db2.gz VZKXUQRTZJRZCM-NRFANRHFSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C[C@@H]1C ZINC000483707615 516182763 /nfs/dbraw/zinc/18/27/63/516182763.db2.gz FHUXDABOMXXFDL-GHTZIAJQSA-N 1 3 372.557 2.949 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C[C@@H]1C ZINC000483707615 516182771 /nfs/dbraw/zinc/18/27/71/516182771.db2.gz FHUXDABOMXXFDL-GHTZIAJQSA-N 1 3 372.557 2.949 20 0 FFADHO CS[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1N(C)C ZINC000495581088 516190318 /nfs/dbraw/zinc/19/03/18/516190318.db2.gz UFOXFMMDBYAZHP-RBUKOAKNSA-N 1 3 361.555 2.790 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000501755139 516215975 /nfs/dbraw/zinc/21/59/75/516215975.db2.gz IWBABFYLHCJPLP-SBHAEUEKSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507473595 516219930 /nfs/dbraw/zinc/21/99/30/516219930.db2.gz VMQJNBYGFPOPIX-ZHHKINOHSA-N 1 3 357.542 2.597 20 0 FFADHO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1 ZINC000470370651 516223977 /nfs/dbraw/zinc/22/39/77/516223977.db2.gz AYFCSJCKELQBND-NRFANRHFSA-N 1 3 367.493 2.729 20 0 FFADHO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1 ZINC000470370651 516223989 /nfs/dbraw/zinc/22/39/89/516223989.db2.gz AYFCSJCKELQBND-NRFANRHFSA-N 1 3 367.493 2.729 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000501800800 516227345 /nfs/dbraw/zinc/22/73/45/516227345.db2.gz KBYHBUAMAPAOGJ-SFHVURJKSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457935604 516238869 /nfs/dbraw/zinc/23/88/69/516238869.db2.gz NTXCNEUFEPDPFY-DLBZAZTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457935604 516238877 /nfs/dbraw/zinc/23/88/77/516238877.db2.gz NTXCNEUFEPDPFY-DLBZAZTESA-N 1 3 366.575 2.942 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000501850594 516242867 /nfs/dbraw/zinc/24/28/67/516242867.db2.gz AUACFTAACFUMAX-LJQANCHMSA-N 1 3 372.557 2.821 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000501850594 516242877 /nfs/dbraw/zinc/24/28/77/516242877.db2.gz AUACFTAACFUMAX-LJQANCHMSA-N 1 3 372.557 2.821 20 0 FFADHO CC(C)[NH+]1CCN(CCCN[C@H](CO)c2cccc(Cl)c2F)CC1 ZINC000501868608 516249308 /nfs/dbraw/zinc/24/93/08/516249308.db2.gz CHEUGTYXORLVJY-QGZVFWFLSA-N 1 3 357.901 2.518 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)cc1F ZINC000465776738 516255506 /nfs/dbraw/zinc/25/55/06/516255506.db2.gz BMWZLKTYQUURBJ-QGZVFWFLSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)cc1F ZINC000465776738 516255510 /nfs/dbraw/zinc/25/55/10/516255510.db2.gz BMWZLKTYQUURBJ-QGZVFWFLSA-N 1 3 368.472 2.522 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2CCCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512412491 516269312 /nfs/dbraw/zinc/26/93/12/516269312.db2.gz PSASWHKHXXOXDB-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2CCCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412491 516269318 /nfs/dbraw/zinc/26/93/18/516269318.db2.gz PSASWHKHXXOXDB-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000496611779 516272891 /nfs/dbraw/zinc/27/28/91/516272891.db2.gz MMQCWNHQJQVJCS-IBGZPJMESA-N 1 3 374.573 2.971 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000488793702 516310534 /nfs/dbraw/zinc/31/05/34/516310534.db2.gz ITSAHFFTVJAPQP-QZTJIDSGSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000488793702 516310537 /nfs/dbraw/zinc/31/05/37/516310537.db2.gz ITSAHFFTVJAPQP-QZTJIDSGSA-N 1 3 350.551 2.623 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000502156190 516311397 /nfs/dbraw/zinc/31/13/97/516311397.db2.gz JVGZTRXWZIUWMG-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000502156190 516311403 /nfs/dbraw/zinc/31/14/03/516311403.db2.gz JVGZTRXWZIUWMG-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512631785 516316290 /nfs/dbraw/zinc/31/62/90/516316290.db2.gz SURSYGGMDRUTGE-CWKRKGSWSA-N 1 3 371.569 2.988 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCN4CCSCC4)[C@H]3C2)cc1 ZINC000512662646 516319477 /nfs/dbraw/zinc/31/94/77/516319477.db2.gz ZGXOYOQEMDJSBD-ACRUOGEOSA-N 1 3 359.583 2.926 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCN4CCSCC4)[C@H]3C2)cc1 ZINC000512662646 516319479 /nfs/dbraw/zinc/31/94/79/516319479.db2.gz ZGXOYOQEMDJSBD-ACRUOGEOSA-N 1 3 359.583 2.926 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCN4CCSCC4)[C@H]3C2)cc1 ZINC000512662646 516319482 /nfs/dbraw/zinc/31/94/82/516319482.db2.gz ZGXOYOQEMDJSBD-ACRUOGEOSA-N 1 3 359.583 2.926 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000497510606 516324607 /nfs/dbraw/zinc/32/46/07/516324607.db2.gz ZRXQPCLNFMLTCW-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000497510606 516324608 /nfs/dbraw/zinc/32/46/08/516324608.db2.gz ZRXQPCLNFMLTCW-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000517534430 516354746 /nfs/dbraw/zinc/35/47/46/516354746.db2.gz UBXRTJCXRMGHFF-FPOVZHCZSA-N 1 3 368.481 2.987 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000517539254 516355246 /nfs/dbraw/zinc/35/52/46/516355246.db2.gz ISBUQHRDDOSPSS-HWMZRRJGSA-N 1 3 350.532 2.510 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000517541691 516355760 /nfs/dbraw/zinc/35/57/60/516355760.db2.gz PYWSAIFMJUYPAR-QZTJIDSGSA-N 1 3 354.583 2.972 20 0 FFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000523130687 516393482 /nfs/dbraw/zinc/39/34/82/516393482.db2.gz MNVZRWLOZVTCGH-HDICACEKSA-N 1 3 360.546 2.915 20 0 FFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000523130687 516393487 /nfs/dbraw/zinc/39/34/87/516393487.db2.gz MNVZRWLOZVTCGH-HDICACEKSA-N 1 3 360.546 2.915 20 0 FFADHO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000543762746 516418040 /nfs/dbraw/zinc/41/80/40/516418040.db2.gz YAMURIYPSQLBMP-ZOBFTUDESA-N 1 3 355.526 2.921 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000561208488 516451940 /nfs/dbraw/zinc/45/19/40/516451940.db2.gz ILAVMIGAWUEING-ICSRJNTNSA-N 1 3 373.545 2.847 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000540162100 516459389 /nfs/dbraw/zinc/45/93/89/516459389.db2.gz FUYBGNWYZYZFSO-QRFRQXIXSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000540162100 516459395 /nfs/dbraw/zinc/45/93/95/516459395.db2.gz FUYBGNWYZYZFSO-QRFRQXIXSA-N 1 3 362.514 2.725 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513077306 516463231 /nfs/dbraw/zinc/46/32/31/516463231.db2.gz QLEUADWYGBSLAQ-ILWGZMRPSA-N 1 3 359.558 2.722 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000518030339 516527632 /nfs/dbraw/zinc/52/76/32/516527632.db2.gz PBIFZKTVWUSAFU-UHFFFAOYSA-N 1 3 362.905 2.901 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000536013761 516592189 /nfs/dbraw/zinc/59/21/89/516592189.db2.gz MQHDMWOKVCAZTC-UYAOXDASSA-N 1 3 360.546 2.581 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000554737598 516611326 /nfs/dbraw/zinc/61/13/26/516611326.db2.gz UENOARQQDOZHFW-VQTJNVASSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000554737598 516611331 /nfs/dbraw/zinc/61/13/31/516611331.db2.gz UENOARQQDOZHFW-VQTJNVASSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528718852 516644351 /nfs/dbraw/zinc/64/43/51/516644351.db2.gz ZMRRXAMZZSNFPO-HNNXBMFYSA-N 1 3 360.502 2.801 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528718852 516644356 /nfs/dbraw/zinc/64/43/56/516644356.db2.gz ZMRRXAMZZSNFPO-HNNXBMFYSA-N 1 3 360.502 2.801 20 0 FFADHO C[C@H]1C[C@@H](CCNCc2cnc(N(C)C)nc2)C[N@@H+]1Cc1ccccc1 ZINC000513487279 516647365 /nfs/dbraw/zinc/64/73/65/516647365.db2.gz AOWUZHGJQZSANY-PKOBYXMFSA-N 1 3 353.514 2.933 20 0 FFADHO C[C@H]1C[C@@H](CCNCc2cnc(N(C)C)nc2)C[N@H+]1Cc1ccccc1 ZINC000513487279 516647373 /nfs/dbraw/zinc/64/73/73/516647373.db2.gz AOWUZHGJQZSANY-PKOBYXMFSA-N 1 3 353.514 2.933 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000518435734 516657752 /nfs/dbraw/zinc/65/77/52/516657752.db2.gz VGCJYMXQNQYZSM-FQEVSTJZSA-N 1 3 359.514 2.652 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000524515191 516741504 /nfs/dbraw/zinc/74/15/04/516741504.db2.gz KIJRYJWKLHSVIY-WOJBJXKFSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000524515191 516741511 /nfs/dbraw/zinc/74/15/11/516741511.db2.gz KIJRYJWKLHSVIY-WOJBJXKFSA-N 1 3 358.530 2.695 20 0 FFADHO CCc1nc2ccccc2c(NC2CC[NH+](CCC(=O)N(C)C)CC2)c1C ZINC000558493751 516777457 /nfs/dbraw/zinc/77/74/57/516777457.db2.gz YURFCMRNOXDSMA-UHFFFAOYSA-N 1 3 368.525 2.882 20 0 FFADHO CSC1(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1 ZINC000558574342 516814822 /nfs/dbraw/zinc/81/48/22/516814822.db2.gz FUSAPANKCANCMQ-UHFFFAOYSA-N 1 3 361.555 2.888 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000518941702 516827786 /nfs/dbraw/zinc/82/77/86/516827786.db2.gz XLOUMFLRSIKXMY-XUVXKRRUSA-N 1 3 370.541 2.728 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000561976475 516856361 /nfs/dbraw/zinc/85/63/61/516856361.db2.gz HYNPPNRIRSANPY-CVEARBPZSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000561976475 516856371 /nfs/dbraw/zinc/85/63/71/516856371.db2.gz HYNPPNRIRSANPY-CVEARBPZSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c1 ZINC000561976475 516856375 /nfs/dbraw/zinc/85/63/75/516856375.db2.gz HYNPPNRIRSANPY-CVEARBPZSA-N 1 3 363.502 2.741 20 0 FFADHO CC(C)CN(CCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000519055504 516868410 /nfs/dbraw/zinc/86/84/10/516868410.db2.gz ISBDVIIYSRSISE-UHFFFAOYSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000514202033 516902228 /nfs/dbraw/zinc/90/22/28/516902228.db2.gz QLPZBOBWFGFFDU-WSTZPKSXSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000514202033 516902236 /nfs/dbraw/zinc/90/22/36/516902236.db2.gz QLPZBOBWFGFFDU-WSTZPKSXSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000525103118 516918052 /nfs/dbraw/zinc/91/80/52/516918052.db2.gz NRPVRKOOZPJQAK-OPYAIIAOSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000525103118 516918059 /nfs/dbraw/zinc/91/80/59/516918059.db2.gz NRPVRKOOZPJQAK-OPYAIIAOSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000514240367 516919297 /nfs/dbraw/zinc/91/92/97/516919297.db2.gz AXSLZSOWBIKEAW-KZNAEPCWSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483922 517011315 /nfs/dbraw/zinc/01/13/15/517011315.db2.gz BCZLEXMCONWAOS-HKUYNNGSSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483922 517011326 /nfs/dbraw/zinc/01/13/26/517011326.db2.gz BCZLEXMCONWAOS-HKUYNNGSSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483922 517011336 /nfs/dbraw/zinc/01/13/36/517011336.db2.gz BCZLEXMCONWAOS-HKUYNNGSSA-N 1 3 352.482 2.910 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000562294812 517012473 /nfs/dbraw/zinc/01/24/73/517012473.db2.gz LBGYETRVSDFYSC-YSIASYRMSA-N 1 3 373.545 2.560 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000562294812 517012479 /nfs/dbraw/zinc/01/24/79/517012479.db2.gz LBGYETRVSDFYSC-YSIASYRMSA-N 1 3 373.545 2.560 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)CC1 ZINC000514798101 517062598 /nfs/dbraw/zinc/06/25/98/517062598.db2.gz HZWUEZTZCHSWIA-HNNXBMFYSA-N 1 3 357.489 2.734 20 0 FFADHO C[C@H]1C[C@H](N(C)CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC000537165376 517063481 /nfs/dbraw/zinc/06/34/81/517063481.db2.gz AOPWMOCKVBCYCY-WSWWRLHASA-N 1 3 357.542 2.835 20 0 FFADHO C[C@H]1C[C@H](N(C)CCN2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC000537165376 517063492 /nfs/dbraw/zinc/06/34/92/517063492.db2.gz AOPWMOCKVBCYCY-WSWWRLHASA-N 1 3 357.542 2.835 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C[C@H]21 ZINC000519589718 517063878 /nfs/dbraw/zinc/06/38/78/517063878.db2.gz ADSYUSXWTLHHOR-UAFMIMERSA-N 1 3 356.514 2.592 20 0 FFADHO C[C@H](CCNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000541521281 517090935 /nfs/dbraw/zinc/09/09/35/517090935.db2.gz USNBRKVLWKGLRX-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529357910 517100398 /nfs/dbraw/zinc/10/03/98/517100398.db2.gz NSXCPOAYZVKBBS-LJQANCHMSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1CCC[C@](CNC[C@H](O)CN2CCc3ccccc3C2)([NH+](C)C)C1 ZINC000552226533 517151700 /nfs/dbraw/zinc/15/17/00/517151700.db2.gz GUKLNGDXFMMCJH-COPCDDAFSA-N 1 3 359.558 2.506 20 0 FFADHO C[C@@H]1CCC[C@](C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)(N(C)C)C1 ZINC000552226533 517151712 /nfs/dbraw/zinc/15/17/12/517151712.db2.gz GUKLNGDXFMMCJH-COPCDDAFSA-N 1 3 359.558 2.506 20 0 FFADHO Cc1c2ccc(F)cc2sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000548815855 517231424 /nfs/dbraw/zinc/23/14/24/517231424.db2.gz JHYXPULPCHPWPM-UHFFFAOYSA-N 1 3 351.491 2.914 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541855154 517253651 /nfs/dbraw/zinc/25/36/51/517253651.db2.gz WZTNWCKCELEBNK-UHFFFAOYSA-N 1 3 354.498 2.935 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000559767094 517419165 /nfs/dbraw/zinc/41/91/65/517419165.db2.gz PJVMNPPNRXGBFN-QGZVFWFLSA-N 1 3 362.518 2.965 20 0 FFADHO Cc1cnc(CC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cn1 ZINC000556434639 517426919 /nfs/dbraw/zinc/42/69/19/517426919.db2.gz JBNFBMWLEQQXOE-IBGZPJMESA-N 1 3 352.482 2.905 20 0 FFADHO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)n(C2CCN(C)CC2)n1 ZINC000515625126 517428318 /nfs/dbraw/zinc/42/83/18/517428318.db2.gz OAUIAQYSXNQDKB-WMZOPIPTSA-N 1 3 374.533 2.549 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000520574914 517441183 /nfs/dbraw/zinc/44/11/83/517441183.db2.gz UKEGRIBLRFMPPN-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@](C)(OC)C3(C)C)CC2)CC1 ZINC000520606793 517453818 /nfs/dbraw/zinc/45/38/18/517453818.db2.gz VAVIACKHDNHBHH-GHTZIAJQSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCC(C)CC1 ZINC000559895006 517477077 /nfs/dbraw/zinc/47/70/77/517477077.db2.gz VAXJGLFTEWSAMI-OAHLLOKOSA-N 1 3 370.335 2.711 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC3CC(C)(C)[NH2+]C(C)(C)C3)c2cc1C ZINC000515874483 517502099 /nfs/dbraw/zinc/50/20/99/517502099.db2.gz MSNLSYBGFQEUOJ-QGZVFWFLSA-N 1 3 358.530 2.913 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C3CC(C)(C)NC(C)(C)C3)c2cc1C ZINC000515874483 517502107 /nfs/dbraw/zinc/50/21/07/517502107.db2.gz MSNLSYBGFQEUOJ-QGZVFWFLSA-N 1 3 358.530 2.913 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000553185799 517565134 /nfs/dbraw/zinc/56/51/34/517565134.db2.gz BPMLOJJBINHNJL-RRFJBIMHSA-N 1 3 365.484 2.988 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000553185799 517565137 /nfs/dbraw/zinc/56/51/37/517565137.db2.gz BPMLOJJBINHNJL-RRFJBIMHSA-N 1 3 365.484 2.988 20 0 FFADHO COCCN1CC[C@@H](Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1 ZINC000542464596 517579568 /nfs/dbraw/zinc/57/95/68/517579568.db2.gz KQKORTHUAVUHOS-HXUWFJFHSA-N 1 3 374.529 2.634 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000521014254 517580924 /nfs/dbraw/zinc/58/09/24/517580924.db2.gz PDLVJZFZVIZGQB-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO C[NH+](C)CCOc1ccccc1N1CCN(CC[C@H]2CCCCO2)CC1 ZINC000542507125 517601684 /nfs/dbraw/zinc/60/16/84/517601684.db2.gz JABMNKNBFBPQGB-LJQANCHMSA-N 1 3 361.530 2.708 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000516242591 517633379 /nfs/dbraw/zinc/63/33/79/517633379.db2.gz QUQXDTOQNWPDOQ-HLNWXESRSA-N 1 3 360.546 2.955 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000516242591 517633387 /nfs/dbraw/zinc/63/33/87/517633387.db2.gz QUQXDTOQNWPDOQ-HLNWXESRSA-N 1 3 360.546 2.955 20 0 FFADHO c1cc(OC[C@H]2CCCO2)ccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243473 517649097 /nfs/dbraw/zinc/64/90/97/517649097.db2.gz YKVOLKKZEQDQQB-FCHUYYIVSA-N 1 3 374.525 2.835 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000563092680 517652718 /nfs/dbraw/zinc/65/27/18/517652718.db2.gz PZPOMXYQHKKEHW-ICSRJNTNSA-N 1 3 358.530 2.765 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000563160579 517702369 /nfs/dbraw/zinc/70/23/69/517702369.db2.gz NWJOQENGLREIAQ-UWJYYQICSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553458760 517725325 /nfs/dbraw/zinc/72/53/25/517725325.db2.gz DPDCXWTWDIQOSW-XQBPLPMBSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553458760 517725330 /nfs/dbraw/zinc/72/53/30/517725330.db2.gz DPDCXWTWDIQOSW-XQBPLPMBSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cn[nH]c1 ZINC000560355776 517727214 /nfs/dbraw/zinc/72/72/14/517727214.db2.gz OVQGOUARNITBHB-PXNSSMCTSA-N 1 3 354.498 2.989 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnc3c(c2)c(C)nn3C)[C@@H](C)C1 ZINC000553464615 517729076 /nfs/dbraw/zinc/72/90/76/517729076.db2.gz IUKGSEOKKDAECH-KXBFYZLASA-N 1 3 359.518 2.503 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000563206167 517733583 /nfs/dbraw/zinc/73/35/83/517733583.db2.gz KRPHQVMQEQYZBX-NRFANRHFSA-N 1 3 366.509 2.717 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527640151 517815025 /nfs/dbraw/zinc/81/50/25/517815025.db2.gz KVMZFLCCUNPMDT-CQSZACIVSA-N 1 3 359.436 2.830 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc2cccc(F)c2o1 ZINC000530544348 517841763 /nfs/dbraw/zinc/84/17/63/517841763.db2.gz KTSHXKGMCLPKHA-AWEZNQCLSA-N 1 3 364.465 2.768 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000516784166 517843533 /nfs/dbraw/zinc/84/35/33/517843533.db2.gz OTMUKUJBQHWPAQ-UHFFFAOYSA-N 1 3 355.526 2.769 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000516784166 517843543 /nfs/dbraw/zinc/84/35/43/517843543.db2.gz OTMUKUJBQHWPAQ-UHFFFAOYSA-N 1 3 355.526 2.769 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000521914076 517896906 /nfs/dbraw/zinc/89/69/06/517896906.db2.gz IXWYVSMSAHMKCN-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO COc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)c1OC ZINC000517053216 518000187 /nfs/dbraw/zinc/00/01/87/518000187.db2.gz HGGBKBHZNAQRHP-FQEVSTJZSA-N 1 3 370.493 2.869 20 0 FFADHO COc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1OC ZINC000517053216 518000194 /nfs/dbraw/zinc/00/01/94/518000194.db2.gz HGGBKBHZNAQRHP-FQEVSTJZSA-N 1 3 370.493 2.869 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000517104976 518026492 /nfs/dbraw/zinc/02/64/92/518026492.db2.gz YZTITXSVNCLMTR-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000522276797 518060279 /nfs/dbraw/zinc/06/02/79/518060279.db2.gz QKVIMACNMFNPBU-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1CCCO1 ZINC000543400297 518070639 /nfs/dbraw/zinc/07/06/39/518070639.db2.gz APTYLDYQGFBGSY-LAUBAEHRSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@H]1CCCO1 ZINC000543400297 518070645 /nfs/dbraw/zinc/07/06/45/518070645.db2.gz APTYLDYQGFBGSY-LAUBAEHRSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@H]1C[C@H](N2CCOCC2)CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000563751748 518105586 /nfs/dbraw/zinc/10/55/86/518105586.db2.gz MBZZLBZCTSUQQE-FPOVZHCZSA-N 1 3 359.558 2.940 20 0 FFADHO C[C@H]1C[C@H](N2CCOCC2)CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000563751748 518105595 /nfs/dbraw/zinc/10/55/95/518105595.db2.gz MBZZLBZCTSUQQE-FPOVZHCZSA-N 1 3 359.558 2.940 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000522469362 518113421 /nfs/dbraw/zinc/11/34/21/518113421.db2.gz YPTXJAWJZCFZNL-LJQANCHMSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000535007551 518118865 /nfs/dbraw/zinc/11/88/65/518118865.db2.gz KXGMLMFYOBTNTQ-VNTMZGSJSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000535007551 518118873 /nfs/dbraw/zinc/11/88/73/518118873.db2.gz KXGMLMFYOBTNTQ-VNTMZGSJSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000531161069 518157537 /nfs/dbraw/zinc/15/75/37/518157537.db2.gz WFNLCQCPYGUWRZ-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000531161069 518157539 /nfs/dbraw/zinc/15/75/39/518157539.db2.gz WFNLCQCPYGUWRZ-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1c1ccccc1 ZINC000535362878 518176518 /nfs/dbraw/zinc/17/65/18/518176518.db2.gz UHSVJQQWCQHPJA-YSIASYRMSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@H]1c1ccccc1 ZINC000535362878 518176519 /nfs/dbraw/zinc/17/65/19/518176519.db2.gz UHSVJQQWCQHPJA-YSIASYRMSA-N 1 3 356.514 2.748 20 0 FFADHO CCCC[NH+]1CCC(NC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000569715536 518254046 /nfs/dbraw/zinc/25/40/46/518254046.db2.gz NYVUDYQNRVFFCD-LJQANCHMSA-N 1 3 358.530 2.868 20 0 FFADHO OCc1cn([C@@H]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000581415659 518274134 /nfs/dbraw/zinc/27/41/34/518274134.db2.gz DVMDHSCIBVHAIQ-OAQYLSRUSA-N 1 3 369.513 2.593 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000581432924 518282766 /nfs/dbraw/zinc/28/27/66/518282766.db2.gz PXGRNGXKHYLCGK-SBHAEUEKSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1cccc(OC[C@H](O)CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000575796708 518285449 /nfs/dbraw/zinc/28/54/49/518285449.db2.gz MTNQIVCENILPPD-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1cccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000575796708 518285457 /nfs/dbraw/zinc/28/54/57/518285457.db2.gz MTNQIVCENILPPD-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000575796708 518285461 /nfs/dbraw/zinc/28/54/61/518285461.db2.gz MTNQIVCENILPPD-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO C[C@H](CNC(=O)N[C@H](C)CN(C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000564074400 518295175 /nfs/dbraw/zinc/29/51/75/518295175.db2.gz BWOJYALLCBLJRM-RTBURBONSA-N 1 3 360.546 2.928 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](CCOc3ccc4ccccc4c3)C2)nn1 ZINC000578627284 518299714 /nfs/dbraw/zinc/29/97/14/518299714.db2.gz AXIZQMHEZMXTRV-LJQANCHMSA-N 1 3 351.454 2.606 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](CCOc3ccc4ccccc4c3)C2)nn1 ZINC000578627284 518299716 /nfs/dbraw/zinc/29/97/16/518299716.db2.gz AXIZQMHEZMXTRV-LJQANCHMSA-N 1 3 351.454 2.606 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000569912533 518351825 /nfs/dbraw/zinc/35/18/25/518351825.db2.gz GMYCIEWLOFYCJK-UYAOXDASSA-N 1 3 358.530 2.909 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000567117728 518359966 /nfs/dbraw/zinc/35/99/66/518359966.db2.gz QTDCZZSZZXUIQA-WMLDXEAASA-N 1 3 354.926 2.972 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CC[N@@H+](CC(C)C)C3)c2cc1C ZINC000584585497 518410045 /nfs/dbraw/zinc/41/00/45/518410045.db2.gz HXGQATODACCQHN-OALUTQOASA-N 1 3 358.530 2.582 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CC[N@H+](CC(C)C)C3)c2cc1C ZINC000584585497 518410051 /nfs/dbraw/zinc/41/00/51/518410051.db2.gz HXGQATODACCQHN-OALUTQOASA-N 1 3 358.530 2.582 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cc(C)no3)CC2)CC1 ZINC000570105111 518441942 /nfs/dbraw/zinc/44/19/42/518441942.db2.gz VSKWEFGBLHSNJQ-IBGZPJMESA-N 1 3 374.529 2.843 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581776128 518449442 /nfs/dbraw/zinc/44/94/42/518449442.db2.gz HZJCDXPAAGNSKW-UAFMIMERSA-N 1 3 356.514 2.511 20 0 FFADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1cccc(Br)c1 ZINC000581809850 518452516 /nfs/dbraw/zinc/45/25/16/518452516.db2.gz UOKVJFPZHOPZIL-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO O=C(CCNC[C@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(Br)c1 ZINC000581809850 518452523 /nfs/dbraw/zinc/45/25/23/518452523.db2.gz UOKVJFPZHOPZIL-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO O=C(CCNC[C@H]1CC[N@H+](C2CC2)C1)Nc1cccc(Br)c1 ZINC000581809850 518452527 /nfs/dbraw/zinc/45/25/27/518452527.db2.gz UOKVJFPZHOPZIL-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000567312365 518458511 /nfs/dbraw/zinc/45/85/11/518458511.db2.gz OWDNRYSKFXASDI-JKSUJKDBSA-N 1 3 361.486 2.510 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000567312365 518458517 /nfs/dbraw/zinc/45/85/17/518458517.db2.gz OWDNRYSKFXASDI-JKSUJKDBSA-N 1 3 361.486 2.510 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c1 ZINC000567312365 518458522 /nfs/dbraw/zinc/45/85/22/518458522.db2.gz OWDNRYSKFXASDI-JKSUJKDBSA-N 1 3 361.486 2.510 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C(N)C(F)(F)F)cc2)C1 ZINC000567381872 518497257 /nfs/dbraw/zinc/49/72/57/518497257.db2.gz OPDNNHOTALUFJG-DVOMOZLQSA-N 1 3 357.420 2.670 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(N)C(F)(F)F)cc2)C1 ZINC000567381872 518497263 /nfs/dbraw/zinc/49/72/63/518497263.db2.gz OPDNNHOTALUFJG-DVOMOZLQSA-N 1 3 357.420 2.670 20 0 FFADHO [NH3+][C@H]1CCC[C@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000584829219 518497744 /nfs/dbraw/zinc/49/77/44/518497744.db2.gz KLHUZKRXQVQKJM-IRXDYDNUSA-N 1 3 364.559 2.777 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000564602539 518522435 /nfs/dbraw/zinc/52/24/35/518522435.db2.gz SGRXINJBYNVALV-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO Cc1ccc(OC[C@H](O)CNCc2ccc(CC[NH+](C)C)cc2)c(C)c1 ZINC000576339794 518544964 /nfs/dbraw/zinc/54/49/64/518544964.db2.gz HUVQWMDDAJXCIU-OAQYLSRUSA-N 1 3 356.510 2.937 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc4cc[nH]c43)CC2)CC1 ZINC000576356378 518554648 /nfs/dbraw/zinc/55/46/48/518554648.db2.gz AKLYSPMQEGOXCK-UHFFFAOYSA-N 1 3 368.525 2.980 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CC(C)(C)OC)CC2)CC1 ZINC000576408304 518578906 /nfs/dbraw/zinc/57/89/06/518578906.db2.gz BQMXYCAPOGTWDV-INIZCTEOSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573270195 518585570 /nfs/dbraw/zinc/58/55/70/518585570.db2.gz UFXLZANXEIBGPP-CZUORRHYSA-N 1 3 373.950 2.631 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)COc1ccccc1 ZINC000582176334 518624769 /nfs/dbraw/zinc/62/47/69/518624769.db2.gz OGCROFSXXQNFSC-GOSISDBHSA-N 1 3 360.523 2.990 20 0 FFADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000570512751 518644442 /nfs/dbraw/zinc/64/44/42/518644442.db2.gz PETLEGKHEMGFNG-TZIWHRDSSA-N 1 3 364.493 2.529 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000573477278 518683863 /nfs/dbraw/zinc/68/38/63/518683863.db2.gz DRZNNHOZRWAFKI-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)cc1 ZINC000567785002 518710212 /nfs/dbraw/zinc/71/02/12/518710212.db2.gz NXDQURMLPLZFTP-FPOVZHCZSA-N 1 3 373.541 2.931 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSCC[C@@H]3C)CC2)CC1 ZINC000570647367 518710634 /nfs/dbraw/zinc/71/06/34/518710634.db2.gz IMACDOYMHCYWRD-INIZCTEOSA-N 1 3 353.576 2.537 20 0 FFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000564989701 518732599 /nfs/dbraw/zinc/73/25/99/518732599.db2.gz XMJWZMSJCXBQCC-SUNYJGFJSA-N 1 3 365.880 2.906 20 0 FFADHO O=C(NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1)C1CCCCC1 ZINC000565099059 518784485 /nfs/dbraw/zinc/78/44/85/518784485.db2.gz PTWWMATWEWXNEJ-UHFFFAOYSA-N 1 3 355.526 2.993 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000576835893 518788883 /nfs/dbraw/zinc/78/88/83/518788883.db2.gz CHIHDKJTVAEGEG-WOJBJXKFSA-N 1 3 355.526 2.699 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000576835893 518788890 /nfs/dbraw/zinc/78/88/90/518788890.db2.gz CHIHDKJTVAEGEG-WOJBJXKFSA-N 1 3 355.526 2.699 20 0 FFADHO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000582529554 518797388 /nfs/dbraw/zinc/79/73/88/518797388.db2.gz AEVGFESWGJYPEY-QGZVFWFLSA-N 1 3 360.502 2.625 20 0 FFADHO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000582529554 518797395 /nfs/dbraw/zinc/79/73/95/518797395.db2.gz AEVGFESWGJYPEY-QGZVFWFLSA-N 1 3 360.502 2.625 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000570893528 518827642 /nfs/dbraw/zinc/82/76/42/518827642.db2.gz WZNKQAXXTCJZJU-UHFFFAOYSA-N 1 3 355.486 2.706 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000573786507 518835479 /nfs/dbraw/zinc/83/54/79/518835479.db2.gz OISZYKUSNZLAFO-DOIPELPJSA-N 1 3 370.541 2.666 20 0 FFADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCN(CC2CCC2)CC1 ZINC000565203333 518842146 /nfs/dbraw/zinc/84/21/46/518842146.db2.gz HWSYLYPLHVXSPZ-OAQYLSRUSA-N 1 3 355.526 2.843 20 0 FFADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCN(CC2CCC2)CC1 ZINC000565203333 518842153 /nfs/dbraw/zinc/84/21/53/518842153.db2.gz HWSYLYPLHVXSPZ-OAQYLSRUSA-N 1 3 355.526 2.843 20 0 FFADHO O=C(CCNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1ccc(Cl)cc1 ZINC000579827112 518874219 /nfs/dbraw/zinc/87/42/19/518874219.db2.gz GXTIMLBSLZHPRF-ZWKOTPCHSA-N 1 3 365.905 2.636 20 0 FFADHO CC(C)NC(=O)NCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579827771 518875456 /nfs/dbraw/zinc/87/54/56/518875456.db2.gz QGBILRMHTGJVNC-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)NC(=O)NCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579827771 518875460 /nfs/dbraw/zinc/87/54/60/518875460.db2.gz QGBILRMHTGJVNC-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(F)ccc3F)CC2)CC1 ZINC000568191182 518916441 /nfs/dbraw/zinc/91/64/41/518916441.db2.gz ARCAUBWNAZHCQN-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000589215686 518953456 /nfs/dbraw/zinc/95/34/56/518953456.db2.gz IQVPAADUUMSDRR-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000589215686 518953462 /nfs/dbraw/zinc/95/34/62/518953462.db2.gz IQVPAADUUMSDRR-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000568338660 518986153 /nfs/dbraw/zinc/98/61/53/518986153.db2.gz VOHXYFJFZDZVDK-FUHWJXTLSA-N 1 3 367.484 2.989 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000568338660 518986156 /nfs/dbraw/zinc/98/61/56/518986156.db2.gz VOHXYFJFZDZVDK-FUHWJXTLSA-N 1 3 367.484 2.989 20 0 FFADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCS1 ZINC000577296399 519010983 /nfs/dbraw/zinc/01/09/83/519010983.db2.gz ZKBIGJVGJIQQGI-GOSISDBHSA-N 1 3 353.576 2.537 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3cccc(CN(C)C)c3)c2cc1C ZINC000568382136 519013057 /nfs/dbraw/zinc/01/30/57/519013057.db2.gz PTUDIIJXPMQDJY-FQEVSTJZSA-N 1 3 366.509 2.865 20 0 FFADHO N[C@@H](CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000565588265 519031864 /nfs/dbraw/zinc/03/18/64/519031864.db2.gz FMZAJIZHMAJGMG-SXLOBPIMSA-N 1 3 355.457 2.725 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000565591961 519033134 /nfs/dbraw/zinc/03/31/34/519033134.db2.gz TWZMTLCTNMZWAH-QUCCMNQESA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000565591961 519033141 /nfs/dbraw/zinc/03/31/41/519033141.db2.gz TWZMTLCTNMZWAH-QUCCMNQESA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000565591959 519033736 /nfs/dbraw/zinc/03/37/36/519033736.db2.gz TWZMTLCTNMZWAH-AZUAARDMSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000565591959 519033742 /nfs/dbraw/zinc/03/37/42/519033742.db2.gz TWZMTLCTNMZWAH-AZUAARDMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589641893 519052999 /nfs/dbraw/zinc/05/29/99/519052999.db2.gz TTXIQEQWZGIDDJ-CALCHBBNSA-N 1 3 367.559 2.906 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589641893 519053004 /nfs/dbraw/zinc/05/30/04/519053004.db2.gz TTXIQEQWZGIDDJ-CALCHBBNSA-N 1 3 367.559 2.906 20 0 FFADHO CN(C)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000565646436 519060725 /nfs/dbraw/zinc/06/07/25/519060725.db2.gz HBLPXZZGZUIEBR-GOSISDBHSA-N 1 3 356.445 2.896 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000565647616 519060746 /nfs/dbraw/zinc/06/07/46/519060746.db2.gz YXJDVLHQQCVKKH-VBRUWADQSA-N 1 3 358.530 2.674 20 0 FFADHO O=C(CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1cccnc1 ZINC000568683522 519162367 /nfs/dbraw/zinc/16/23/67/519162367.db2.gz MNVNMXXCLBELGK-PMACEKPBSA-N 1 3 364.493 2.864 20 0 FFADHO O=C(CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)Nc1cccnc1 ZINC000568683522 519162371 /nfs/dbraw/zinc/16/23/71/519162371.db2.gz MNVNMXXCLBELGK-PMACEKPBSA-N 1 3 364.493 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2CN2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000568737242 519189913 /nfs/dbraw/zinc/18/99/13/519189913.db2.gz YPCJUOBQKRUDCH-DYESRHJHSA-N 1 3 358.530 2.799 20 0 FFADHO CC[NH2+]CCCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000583369877 519211909 /nfs/dbraw/zinc/21/19/09/519211909.db2.gz VWOBWNGLANCSMU-UHFFFAOYSA-N 1 3 368.909 2.934 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCCC[C@H]2C[NH3+])[C@@H]1c1cccs1 ZINC000568856201 519251092 /nfs/dbraw/zinc/25/10/92/519251092.db2.gz VNGDPTHXWOKIEY-HLLBOEOZSA-N 1 3 350.532 2.654 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2)CC1 ZINC000583478846 519269061 /nfs/dbraw/zinc/26/90/61/519269061.db2.gz HGROCJJDYHVAGC-NRFANRHFSA-N 1 3 370.541 2.780 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000583478846 519269067 /nfs/dbraw/zinc/26/90/67/519269067.db2.gz HGROCJJDYHVAGC-NRFANRHFSA-N 1 3 370.541 2.780 20 0 FFADHO [NH3+][C@H]1C[C@@H](NCc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000566089259 519291880 /nfs/dbraw/zinc/29/18/80/519291880.db2.gz NZWMMILTQDVSRF-FCHUYYIVSA-N 1 3 351.494 2.878 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000583620867 519345228 /nfs/dbraw/zinc/34/52/28/519345228.db2.gz YEDMTTQJTXVCCL-UHFFFAOYSA-N 1 3 350.507 2.617 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000566244819 519389903 /nfs/dbraw/zinc/38/99/03/519389903.db2.gz ABQHWXCADUQDRS-SJORKVTESA-N 1 3 374.403 2.792 20 0 FFADHO O=C(c1ccoc1)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000569202261 519429959 /nfs/dbraw/zinc/42/99/59/519429959.db2.gz MNVKIAJQVCEUNM-UHFFFAOYSA-N 1 3 354.454 2.538 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C[C@@]1(C)C[NH3+] ZINC000578333897 519541734 /nfs/dbraw/zinc/54/17/34/519541734.db2.gz CEUIUUPZKDERSX-JTDSTZFVSA-N 1 3 364.559 2.586 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)CC2)CC1 ZINC000569472041 519568242 /nfs/dbraw/zinc/56/82/42/519568242.db2.gz NCJODRJZXFRKGS-SQVLJLFZSA-N 1 3 371.569 2.853 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CC[NH3+])CC2)CCN1Cc1ccccc1 ZINC000575322817 519588576 /nfs/dbraw/zinc/58/85/76/519588576.db2.gz WGDGZTNEZRNZLN-YLJYHZDGSA-N 1 3 358.530 2.810 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC000569531678 519595943 /nfs/dbraw/zinc/59/59/43/519595943.db2.gz MELLIXPFTYTVGE-UHFFFAOYSA-N 1 3 359.543 2.598 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)COC1CCC([NH3+])CC1 ZINC000572400268 519596138 /nfs/dbraw/zinc/59/61/38/519596138.db2.gz ZVUYQVDSFNYIBN-QNGMFEMESA-N 1 3 373.541 2.644 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000584160494 519618433 /nfs/dbraw/zinc/61/84/33/519618433.db2.gz PSZGFCKUOSZLGW-CTNGQTDRSA-N 1 3 354.498 2.899 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000591408782 519618945 /nfs/dbraw/zinc/61/89/45/519618945.db2.gz IDDPLZAHBNHVNB-PKOBYXMFSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000591408782 519618951 /nfs/dbraw/zinc/61/89/51/519618951.db2.gz IDDPLZAHBNHVNB-PKOBYXMFSA-N 1 3 358.530 2.996 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000608648558 520064567 /nfs/dbraw/zinc/06/45/67/520064567.db2.gz WMRAUVVEUQIQQH-YQQAZPJKSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000608648558 520064573 /nfs/dbraw/zinc/06/45/73/520064573.db2.gz WMRAUVVEUQIQQH-YQQAZPJKSA-N 1 3 350.532 2.524 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000612861902 520193672 /nfs/dbraw/zinc/19/36/72/520193672.db2.gz CMXVOYPEWHJHEQ-CRAIPNDOSA-N 1 3 350.532 2.572 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000594970865 520234623 /nfs/dbraw/zinc/23/46/23/520234623.db2.gz MAYHLACZAAPOSR-FQEVSTJZSA-N 1 3 370.541 2.607 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000594970865 520234631 /nfs/dbraw/zinc/23/46/31/520234631.db2.gz MAYHLACZAAPOSR-FQEVSTJZSA-N 1 3 370.541 2.607 20 0 FFADHO CCN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000612977280 520251923 /nfs/dbraw/zinc/25/19/23/520251923.db2.gz MHJQXZJKWSDJFY-YZGWKJHDSA-N 1 3 370.541 2.996 20 0 FFADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000595013002 520256171 /nfs/dbraw/zinc/25/61/71/520256171.db2.gz IFGPDVOCLOUOTM-MRXNPFEDSA-N 1 3 353.551 2.503 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612990112 520259202 /nfs/dbraw/zinc/25/92/02/520259202.db2.gz NYEUVMMCNVMQSY-OALUTQOASA-N 1 3 370.541 2.728 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2)CC1 ZINC000616994709 520265687 /nfs/dbraw/zinc/26/56/87/520265687.db2.gz DDZIXDKYPGTIHC-SFHVURJKSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC000616994709 520265694 /nfs/dbraw/zinc/26/56/94/520265694.db2.gz DDZIXDKYPGTIHC-SFHVURJKSA-N 1 3 372.557 2.679 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1cccc(Cl)c1 ZINC000603863304 520383930 /nfs/dbraw/zinc/38/39/30/520383930.db2.gz CAESRYGUWMNJFC-SFHVURJKSA-N 1 3 366.937 2.626 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1cccc(Cl)c1 ZINC000603863304 520383934 /nfs/dbraw/zinc/38/39/34/520383934.db2.gz CAESRYGUWMNJFC-SFHVURJKSA-N 1 3 366.937 2.626 20 0 FFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000617343076 520440659 /nfs/dbraw/zinc/44/06/59/520440659.db2.gz LHKYMZLGWUIONU-PMACEKPBSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000617343076 520440664 /nfs/dbraw/zinc/44/06/64/520440664.db2.gz LHKYMZLGWUIONU-PMACEKPBSA-N 1 3 357.542 2.930 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000604083886 520445597 /nfs/dbraw/zinc/44/55/97/520445597.db2.gz WXCAPDJLPXVUHI-SLFFLAALSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000604083886 520445601 /nfs/dbraw/zinc/44/56/01/520445601.db2.gz WXCAPDJLPXVUHI-SLFFLAALSA-N 1 3 356.514 2.577 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)c2ccccc2)CC1 ZINC000604178930 520473176 /nfs/dbraw/zinc/47/31/76/520473176.db2.gz LSKMSZJBDLLCBU-CTNGQTDRSA-N 1 3 370.541 2.996 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604195179 520481536 /nfs/dbraw/zinc/48/15/36/520481536.db2.gz SNPPGQMTJQQMIK-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604195179 520481544 /nfs/dbraw/zinc/48/15/44/520481544.db2.gz SNPPGQMTJQQMIK-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503914 520538126 /nfs/dbraw/zinc/53/81/26/520538126.db2.gz ALNDFKFZMWABEQ-INIZCTEOSA-N 1 3 372.513 2.581 20 0 FFADHO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503914 520538133 /nfs/dbraw/zinc/53/81/33/520538133.db2.gz ALNDFKFZMWABEQ-INIZCTEOSA-N 1 3 372.513 2.581 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccccc2)s1 ZINC000617504699 520539217 /nfs/dbraw/zinc/53/92/17/520539217.db2.gz GQZTUQWVPQOLEK-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccccc2)s1 ZINC000617504699 520539226 /nfs/dbraw/zinc/53/92/26/520539226.db2.gz GQZTUQWVPQOLEK-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO COc1cc2ccccc2cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503379 520539334 /nfs/dbraw/zinc/53/93/34/520539334.db2.gz GYWCSQWWZPEJNP-INIZCTEOSA-N 1 3 357.498 2.850 20 0 FFADHO COc1cc2ccccc2cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503379 520539339 /nfs/dbraw/zinc/53/93/39/520539339.db2.gz GYWCSQWWZPEJNP-INIZCTEOSA-N 1 3 357.498 2.850 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc2cccnc21 ZINC000617505270 520542033 /nfs/dbraw/zinc/54/20/33/520542033.db2.gz ZRKKLYUYIAGTGA-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc2cccnc21 ZINC000617505270 520542038 /nfs/dbraw/zinc/54/20/38/520542038.db2.gz ZRKKLYUYIAGTGA-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@H](Cn1ccc2ccccc21)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507866 520544705 /nfs/dbraw/zinc/54/47/05/520544705.db2.gz MDWPETREDWTDRH-MSOLQXFVSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@H](Cn1ccc2ccccc21)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507866 520544714 /nfs/dbraw/zinc/54/47/14/520544714.db2.gz MDWPETREDWTDRH-MSOLQXFVSA-N 1 3 358.530 2.666 20 0 FFADHO CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[C@H]1CC[N@H+](C)C1 ZINC000617551489 520577036 /nfs/dbraw/zinc/57/70/36/520577036.db2.gz SGXWOIXMLBEEDT-ZWKOTPCHSA-N 1 3 365.468 2.696 20 0 FFADHO CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000617551489 520577039 /nfs/dbraw/zinc/57/70/39/520577039.db2.gz SGXWOIXMLBEEDT-ZWKOTPCHSA-N 1 3 365.468 2.696 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000613798481 520681054 /nfs/dbraw/zinc/68/10/54/520681054.db2.gz KJXUXSORTXPEGY-CABCVRRESA-N 1 3 374.403 2.713 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000604825396 520686268 /nfs/dbraw/zinc/68/62/68/520686268.db2.gz IEDHUQQJZNEOSQ-QZTJIDSGSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000604825398 520687721 /nfs/dbraw/zinc/68/77/21/520687721.db2.gz IEDHUQQJZNEOSQ-ZWKOTPCHSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000601243992 520705001 /nfs/dbraw/zinc/70/50/01/520705001.db2.gz ZWJRXAPZPYYYCU-HXUWFJFHSA-N 1 3 358.530 2.607 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)c1 ZINC000595904652 520812091 /nfs/dbraw/zinc/81/20/91/520812091.db2.gz JVNLCBCKZUTPPP-CRAIPNDOSA-N 1 3 360.502 2.791 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000605879618 520957754 /nfs/dbraw/zinc/95/77/54/520957754.db2.gz KNLALQQYMAGVDC-NRFANRHFSA-N 1 3 370.541 2.697 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000605879618 520957761 /nfs/dbraw/zinc/95/77/61/520957761.db2.gz KNLALQQYMAGVDC-NRFANRHFSA-N 1 3 370.541 2.697 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000605989056 520988938 /nfs/dbraw/zinc/98/89/38/520988938.db2.gz WUOAZKYTUKUJGH-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000599068673 521013320 /nfs/dbraw/zinc/01/33/20/521013320.db2.gz BXLPKCHQAHAQHQ-HOTGVXAUSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000599068673 521013327 /nfs/dbraw/zinc/01/33/27/521013327.db2.gz BXLPKCHQAHAQHQ-HOTGVXAUSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000599068673 521013335 /nfs/dbraw/zinc/01/33/35/521013335.db2.gz BXLPKCHQAHAQHQ-HOTGVXAUSA-N 1 3 361.486 2.512 20 0 FFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606683179 521133729 /nfs/dbraw/zinc/13/37/29/521133729.db2.gz NDYSRZKGSVWAHL-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606683179 521133736 /nfs/dbraw/zinc/13/37/36/521133736.db2.gz NDYSRZKGSVWAHL-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2o1 ZINC000593736277 521181680 /nfs/dbraw/zinc/18/16/80/521181680.db2.gz LHMOFAMKGYMWKI-KVSKMBFKSA-N 1 3 372.465 2.938 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](CCF)C3)CC2)CC1 ZINC000618695973 521190588 /nfs/dbraw/zinc/19/05/88/521190588.db2.gz BCPGCTTXXOGQSH-QGZVFWFLSA-N 1 3 353.526 2.781 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000599580842 521310170 /nfs/dbraw/zinc/31/01/70/521310170.db2.gz GXAFPTNMAMLOKU-RTBURBONSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000599580842 521310179 /nfs/dbraw/zinc/31/01/79/521310179.db2.gz GXAFPTNMAMLOKU-RTBURBONSA-N 1 3 367.578 2.702 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000618989931 521339357 /nfs/dbraw/zinc/33/93/57/521339357.db2.gz AEXFVALGAQFMGN-QUCCMNQESA-N 1 3 358.530 2.530 20 0 FFADHO O[C@@]1(CNCc2ccc(-n3ccnc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366615 521341465 /nfs/dbraw/zinc/34/14/65/521341465.db2.gz PRAPMEFZIMEBSK-JOCHJYFZSA-N 1 3 362.477 2.599 20 0 FFADHO O[C@@]1(CNCc2ccc(-n3ccnc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366615 521341474 /nfs/dbraw/zinc/34/14/74/521341474.db2.gz PRAPMEFZIMEBSK-JOCHJYFZSA-N 1 3 362.477 2.599 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCN(C2CC2)C1 ZINC000615447433 521407498 /nfs/dbraw/zinc/40/74/98/521407498.db2.gz JHDKTFDEZMWTIH-PZJWPPBQSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN(C2CC2)C1 ZINC000615447433 521407505 /nfs/dbraw/zinc/40/75/05/521407505.db2.gz JHDKTFDEZMWTIH-PZJWPPBQSA-N 1 3 369.553 2.884 20 0 FFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000615619214 521476449 /nfs/dbraw/zinc/47/64/49/521476449.db2.gz LRSDMNZRNCHSSL-KNQAVFIVSA-N 1 3 373.516 2.982 20 0 FFADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000615619214 521476454 /nfs/dbraw/zinc/47/64/54/521476454.db2.gz LRSDMNZRNCHSSL-KNQAVFIVSA-N 1 3 373.516 2.982 20 0 FFADHO C[C@H]1CCCN(Cc2ccccc2C[NH2+][C@@H]2CCCS(=O)(=O)CC2)C1 ZINC000634953147 521830818 /nfs/dbraw/zinc/83/08/18/521830818.db2.gz SMRKFZBDFNYZGS-FXAWDEMLSA-N 1 3 364.555 2.975 20 0 FFADHO O[C@@H](CNCC1(c2ccc3c(c2)OCO3)CCCCC1)C[NH+]1CCCC1 ZINC000619743502 521851392 /nfs/dbraw/zinc/85/13/92/521851392.db2.gz GAYMUAGPIANUBF-SFHVURJKSA-N 1 3 360.498 2.664 20 0 FFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000635011094 521863748 /nfs/dbraw/zinc/86/37/48/521863748.db2.gz XNQYMUZBVWBDHS-KRWDZBQOSA-N 1 3 362.481 2.909 20 0 FFADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000635011353 521866540 /nfs/dbraw/zinc/86/65/40/521866540.db2.gz DWMLDHHLQOGHBN-ZWQIFLOQSA-N 1 3 350.528 2.704 20 0 FFADHO COc1ccccc1NC(=O)C[C@@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635012573 521867326 /nfs/dbraw/zinc/86/73/26/521867326.db2.gz WORVODMKPVVILF-OAHLLOKOSA-N 1 3 353.466 2.848 20 0 FFADHO COc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)c1OC ZINC000635011441 521867581 /nfs/dbraw/zinc/86/75/81/521867581.db2.gz NVEGSYRFCJKKOH-HNNXBMFYSA-N 1 3 356.470 2.990 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000623466510 522045625 /nfs/dbraw/zinc/04/56/25/522045625.db2.gz BJMPWYYZURYQQO-MJGOQNOKSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000623466510 522045631 /nfs/dbraw/zinc/04/56/31/522045631.db2.gz BJMPWYYZURYQQO-MJGOQNOKSA-N 1 3 350.551 2.815 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623488228 522060611 /nfs/dbraw/zinc/06/06/11/522060611.db2.gz MFQZBBBOHXZDAX-LJQANCHMSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623488228 522060617 /nfs/dbraw/zinc/06/06/17/522060617.db2.gz MFQZBBBOHXZDAX-LJQANCHMSA-N 1 3 350.466 2.809 20 0 FFADHO CN1CCC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000620191573 522108179 /nfs/dbraw/zinc/10/81/79/522108179.db2.gz CZKRELACJMYWSP-FQEVSTJZSA-N 1 3 355.526 2.747 20 0 FFADHO CN1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000620191573 522108188 /nfs/dbraw/zinc/10/81/88/522108188.db2.gz CZKRELACJMYWSP-FQEVSTJZSA-N 1 3 355.526 2.747 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1 ZINC000623593958 522149072 /nfs/dbraw/zinc/14/90/72/522149072.db2.gz MTRIIKXUEFIFIK-OAQYLSRUSA-N 1 3 356.466 2.947 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC[C@]2(C)COc3ccccc3O2)cc1 ZINC000623593958 522149076 /nfs/dbraw/zinc/14/90/76/522149076.db2.gz MTRIIKXUEFIFIK-OAQYLSRUSA-N 1 3 356.466 2.947 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000620677069 522353447 /nfs/dbraw/zinc/35/34/47/522353447.db2.gz BZMXXXOYRQDACK-HXUWFJFHSA-N 1 3 358.530 2.684 20 0 FFADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCOCCC[NH3+])o1 ZINC000629660172 522379810 /nfs/dbraw/zinc/37/98/10/522379810.db2.gz PFBVZAVWVYZMDP-UHFFFAOYSA-N 1 3 354.454 2.896 20 0 FFADHO COCCC[N@H+](C)CCOc1ccc(-c2nc3c(s2)CNCC3)cc1 ZINC000629706747 522407377 /nfs/dbraw/zinc/40/73/77/522407377.db2.gz CGJQSNVIVRRRJB-UHFFFAOYSA-N 1 3 361.511 2.803 20 0 FFADHO COCCC[N@@H+](C)CCOc1ccc(-c2nc3c(s2)CNCC3)cc1 ZINC000629706747 522407381 /nfs/dbraw/zinc/40/73/81/522407381.db2.gz CGJQSNVIVRRRJB-UHFFFAOYSA-N 1 3 361.511 2.803 20 0 FFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H](C)C1 ZINC000624118422 522488331 /nfs/dbraw/zinc/48/83/31/522488331.db2.gz HISMZNSVBZMYGI-LZQZEXGQSA-N 1 3 351.922 2.865 20 0 FFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H](C)C1 ZINC000624118422 522488340 /nfs/dbraw/zinc/48/83/40/522488340.db2.gz HISMZNSVBZMYGI-LZQZEXGQSA-N 1 3 351.922 2.865 20 0 FFADHO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)CCO1 ZINC000620965340 522547341 /nfs/dbraw/zinc/54/73/41/522547341.db2.gz MAMYSCBCLXTANN-OAQYLSRUSA-N 1 3 373.541 2.855 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)C12CCC[NH+](CCC1)C2 ZINC000635876961 522597349 /nfs/dbraw/zinc/59/73/49/522597349.db2.gz DBHPHAXESXSLKY-UHFFFAOYSA-N 1 3 373.463 2.784 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC1 ZINC000627050156 522618793 /nfs/dbraw/zinc/61/87/93/522618793.db2.gz CQBROHRUWMJUHI-OYRHEFFESA-N 1 3 370.541 2.682 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000627487767 522870583 /nfs/dbraw/zinc/87/05/83/522870583.db2.gz KJFISTYAHGAWTQ-XRXFAXGQSA-N 1 3 355.526 2.697 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000627487767 522870593 /nfs/dbraw/zinc/87/05/93/522870593.db2.gz KJFISTYAHGAWTQ-XRXFAXGQSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636749615 523184077 /nfs/dbraw/zinc/18/40/77/523184077.db2.gz DCLOQZAHJWZQPF-HZPDHXFCSA-N 1 3 362.522 2.534 20 0 FFADHO CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000622004069 523212616 /nfs/dbraw/zinc/21/26/16/523212616.db2.gz JWGHYJGSESTBLM-QGZVFWFLSA-N 1 3 351.922 2.995 20 0 FFADHO CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000622004069 523212631 /nfs/dbraw/zinc/21/26/31/523212631.db2.gz JWGHYJGSESTBLM-QGZVFWFLSA-N 1 3 351.922 2.995 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044695 523234929 /nfs/dbraw/zinc/23/49/29/523234929.db2.gz PRZKEEOIOCSKOJ-IERDGZPVSA-N 1 3 367.493 2.695 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[NH2+]C1CC1 ZINC000637329115 523560565 /nfs/dbraw/zinc/56/05/65/523560565.db2.gz HGKLYJMVVKVIMW-UHFFFAOYSA-N 1 3 372.435 2.531 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)C[C@H]1C ZINC000637372006 523589881 /nfs/dbraw/zinc/58/98/81/523589881.db2.gz IIHYYNWAWHCFHF-NEWSRXKRSA-N 1 3 350.551 2.908 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)C[C@H]1C ZINC000637372006 523589887 /nfs/dbraw/zinc/58/98/87/523589887.db2.gz IIHYYNWAWHCFHF-NEWSRXKRSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634708398 523594319 /nfs/dbraw/zinc/59/43/19/523594319.db2.gz UDZCLOKECCHVPW-PNBTUHDLSA-N 1 3 360.542 2.645 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634708398 523594331 /nfs/dbraw/zinc/59/43/31/523594331.db2.gz UDZCLOKECCHVPW-PNBTUHDLSA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000637472801 523654358 /nfs/dbraw/zinc/65/43/58/523654358.db2.gz MBXBZZBMDQNSEM-IBGZPJMESA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000637472801 523654362 /nfs/dbraw/zinc/65/43/62/523654362.db2.gz MBXBZZBMDQNSEM-IBGZPJMESA-N 1 3 350.551 2.765 20 0 FFADHO CN(C)CCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000623087439 523673947 /nfs/dbraw/zinc/67/39/47/523673947.db2.gz RGSLWLAICQVFEY-OAQYLSRUSA-N 1 3 358.574 2.657 20 0 FFADHO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000631688321 523753013 /nfs/dbraw/zinc/75/30/13/523753013.db2.gz MAXSODIBEBBZEH-USXIJHARSA-N 1 3 367.419 2.882 20 0 FFADHO CC(C)N(c1ccc(CN2CCCC2)cn1)c1ncnc2c1CC[NH2+]CC2 ZINC001164662859 719345175 /nfs/dbraw/zinc/34/51/75/719345175.db2.gz UNQYURXMQUHBSI-UHFFFAOYSA-N 1 3 366.513 2.702 20 0 FFADHO c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001164732479 720434768 /nfs/dbraw/zinc/43/47/68/720434768.db2.gz NQRVUFAOSRCXMK-NHCUHLMSSA-N 1 3 363.509 2.926 20 0 FFADHO C[N@H+](Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1)C1CC1 ZINC001164731695 720454699 /nfs/dbraw/zinc/45/46/99/720454699.db2.gz MCSISWBWFIZJCQ-RTWAWAEBSA-N 1 3 363.509 2.924 20 0 FFADHO C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1)C1CC1 ZINC001164731695 720454703 /nfs/dbraw/zinc/45/47/03/720454703.db2.gz MCSISWBWFIZJCQ-RTWAWAEBSA-N 1 3 363.509 2.924 20 0 FFADHO CCCN1CCC([NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000156762230 728858729 /nfs/dbraw/zinc/85/87/29/728858729.db2.gz KCPRTWKGKGWNQP-MRXNPFEDSA-N 1 3 354.878 2.609 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000292088349 729719314 /nfs/dbraw/zinc/71/93/14/729719314.db2.gz GMSJCIQGEMVPSQ-YOEHRIQHSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000292088349 729719315 /nfs/dbraw/zinc/71/93/15/729719315.db2.gz GMSJCIQGEMVPSQ-YOEHRIQHSA-N 1 3 359.297 2.761 20 0 FFADHO O[C@@H]1CCN(CCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@@H]12 ZINC000640097856 730122902 /nfs/dbraw/zinc/12/29/02/730122902.db2.gz BCNQGARWMGELNG-OUCVULTDSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCN(CCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@@H]12 ZINC000640097856 730122903 /nfs/dbraw/zinc/12/29/03/730122903.db2.gz BCNQGARWMGELNG-OUCVULTDSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CC[N@@H+](CCCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@@H]12 ZINC000640097856 730122905 /nfs/dbraw/zinc/12/29/05/730122905.db2.gz BCNQGARWMGELNG-OUCVULTDSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CC[N@H+](CCCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@@H]12 ZINC000640097856 730122907 /nfs/dbraw/zinc/12/29/07/730122907.db2.gz BCNQGARWMGELNG-OUCVULTDSA-N 1 3 350.547 2.627 20 0 FFADHO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000925128947 738480531 /nfs/dbraw/zinc/48/05/31/738480531.db2.gz FGIQEFLNIFLEPM-ZBFHGGJFSA-N 1 3 353.304 2.529 20 0 FFADHO C[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000925128947 738480534 /nfs/dbraw/zinc/48/05/34/738480534.db2.gz FGIQEFLNIFLEPM-ZBFHGGJFSA-N 1 3 353.304 2.529 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000650707330 731021899 /nfs/dbraw/zinc/02/18/99/731021899.db2.gz CWXJJOASPFDRNK-BFYDXBDKSA-N 1 3 360.527 2.992 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000650707332 731021974 /nfs/dbraw/zinc/02/19/74/731021974.db2.gz CWXJJOASPFDRNK-UXLLHSPISA-N 1 3 360.527 2.992 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC[NH+]1CCCCC1)c1ccco1 ZINC000651092337 731054735 /nfs/dbraw/zinc/05/47/35/731054735.db2.gz HXTYUQAXJUAEJQ-IRXDYDNUSA-N 1 3 350.507 2.836 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925595692 738517416 /nfs/dbraw/zinc/51/74/16/738517416.db2.gz AKUBNCZRUSAVMQ-GJZGRUSLSA-N 1 3 366.303 2.946 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656197491 731557240 /nfs/dbraw/zinc/55/72/40/731557240.db2.gz MZIFRPNKSHFRQU-GJZGRUSLSA-N 1 3 368.319 2.657 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656197490 731557315 /nfs/dbraw/zinc/55/73/15/731557315.db2.gz MZIFRPNKSHFRQU-CABCVRRESA-N 1 3 368.319 2.657 20 0 FFADHO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000872138291 731733096 /nfs/dbraw/zinc/73/30/96/731733096.db2.gz VDVMTPUCZUFIQP-LIRRHRJNSA-N 1 3 350.503 2.978 20 0 FFADHO Brc1cnn(C2(C[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)CC2)c1 ZINC000925840388 738534986 /nfs/dbraw/zinc/53/49/86/738534986.db2.gz VWMXMUFMZFOAHC-CVEARBPZSA-N 1 3 367.335 2.893 20 0 FFADHO CCOP(=O)(CCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)OCC ZINC000876811617 732284038 /nfs/dbraw/zinc/28/40/38/732284038.db2.gz LWFGTXZQHLLQEY-BRWVUGGUSA-N 1 3 362.451 2.826 20 0 FFADHO Cc1ccc(S(=O)(=O)CCCN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662317505 732296343 /nfs/dbraw/zinc/29/63/43/732296343.db2.gz QZTOPIHIIWOPSF-IEBWSBKVSA-N 1 3 352.544 2.998 20 0 FFADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccc2c1CNC2 ZINC000662426314 732314411 /nfs/dbraw/zinc/31/44/11/732314411.db2.gz WYWAVKUUQOZSJT-UHFFFAOYSA-N 1 3 355.507 2.993 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2c(s1)CCNC2 ZINC000662504503 732325358 /nfs/dbraw/zinc/32/53/58/732325358.db2.gz IVDTYJQAWQJIIH-UHFFFAOYSA-N 1 3 361.486 2.737 20 0 FFADHO CCN(CC)c1ncc(CN(CCOC)CC2CC[NH+](C)CC2)s1 ZINC000877664982 732408608 /nfs/dbraw/zinc/40/86/08/732408608.db2.gz AVAKSMPRBHNMHO-UHFFFAOYSA-N 1 3 354.564 2.780 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)CC3(O)CCCC3)C2)s1 ZINC000878573590 732557104 /nfs/dbraw/zinc/55/71/04/732557104.db2.gz LQJNDYGDQJJZOE-MSOLQXFVSA-N 1 3 366.571 2.866 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)CC3(O)CCCC3)C2)s1 ZINC000878573590 732557107 /nfs/dbraw/zinc/55/71/07/732557107.db2.gz LQJNDYGDQJJZOE-MSOLQXFVSA-N 1 3 366.571 2.866 20 0 FFADHO CN(C)CCC[N@H+](C)CCNc1ccnc2cc(Br)cnc21 ZINC000664248005 732558065 /nfs/dbraw/zinc/55/80/65/732558065.db2.gz LYOYRHBQHIZGJA-UHFFFAOYSA-N 1 3 366.307 2.688 20 0 FFADHO CN(C)CCC[N@@H+](C)CCNc1ccnc2cc(Br)cnc21 ZINC000664248005 732558069 /nfs/dbraw/zinc/55/80/69/732558069.db2.gz LYOYRHBQHIZGJA-UHFFFAOYSA-N 1 3 366.307 2.688 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccco1 ZINC000664874404 732642259 /nfs/dbraw/zinc/64/22/59/732642259.db2.gz JQCAZRGDJMKZFP-XHSDSOJGSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccco1 ZINC000664874404 732642260 /nfs/dbraw/zinc/64/22/60/732642260.db2.gz JQCAZRGDJMKZFP-XHSDSOJGSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1cccs1 ZINC000665636579 732734280 /nfs/dbraw/zinc/73/42/80/732734280.db2.gz CODOQUUKERZXIX-HOTGVXAUSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1cccs1 ZINC000665636579 732734282 /nfs/dbraw/zinc/73/42/82/732734282.db2.gz CODOQUUKERZXIX-HOTGVXAUSA-N 1 3 352.548 2.867 20 0 FFADHO Cc1sc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1C(C)C ZINC000667362901 732990772 /nfs/dbraw/zinc/99/07/72/732990772.db2.gz QJMSJFKLCWXPJB-ZDUSSCGKSA-N 1 3 355.552 2.968 20 0 FFADHO Cc1sc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1C(C)C ZINC000667362901 732990775 /nfs/dbraw/zinc/99/07/75/732990775.db2.gz QJMSJFKLCWXPJB-ZDUSSCGKSA-N 1 3 355.552 2.968 20 0 FFADHO CSc1c(F)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667420895 732998356 /nfs/dbraw/zinc/99/83/56/732998356.db2.gz BGHOXJAZACZXHV-ZDUSSCGKSA-N 1 3 356.511 2.941 20 0 FFADHO CSc1c(F)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667420895 732998361 /nfs/dbraw/zinc/99/83/61/732998361.db2.gz BGHOXJAZACZXHV-ZDUSSCGKSA-N 1 3 356.511 2.941 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)c2cccs2)CC1 ZINC000668644655 733148646 /nfs/dbraw/zinc/14/86/46/733148646.db2.gz APBOVTSLXOSMEO-SJORKVTESA-N 1 3 364.559 2.962 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)c2cccs2)CC1 ZINC000668644654 733148687 /nfs/dbraw/zinc/14/86/87/733148687.db2.gz APBOVTSLXOSMEO-IRXDYDNUSA-N 1 3 364.559 2.962 20 0 FFADHO C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000670128451 733309106 /nfs/dbraw/zinc/30/91/06/733309106.db2.gz QRJZIHXSOWQRCT-RDTXWAMCSA-N 1 3 366.937 2.972 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H](c1cccs1)N1CCCC1 ZINC000727066400 734462692 /nfs/dbraw/zinc/46/26/92/734462692.db2.gz LBDRNHIAEMWXBN-HNNXBMFYSA-N 1 3 368.616 2.937 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC000893496501 734709682 /nfs/dbraw/zinc/70/96/82/734709682.db2.gz CABLAULWPFZXRQ-OALUTQOASA-N 1 3 350.551 2.623 20 0 FFADHO CN(C(=O)NCCCCCCC[NH+]1CCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000747957653 735605060 /nfs/dbraw/zinc/60/50/60/735605060.db2.gz VRNLEMKWFSXGFZ-LJQANCHMSA-N 1 3 350.551 2.911 20 0 FFADHO CC(C)(CN[C@H](CCCC[NH3+])c1ccc(F)cc1F)CS(C)(=O)=O ZINC000902407257 735943388 /nfs/dbraw/zinc/94/33/88/735943388.db2.gz XKPFNRKCPQPCMT-MRXNPFEDSA-N 1 3 362.486 2.795 20 0 FFADHO Clc1ccccc1OC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903753577 736162620 /nfs/dbraw/zinc/16/26/20/736162620.db2.gz WLOVLESQLVFGBI-VQIMIIECSA-N 1 3 350.890 2.952 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000906710602 736535741 /nfs/dbraw/zinc/53/57/41/736535741.db2.gz IXXNLRCZNFCATI-ROUUACIJSA-N 1 3 353.551 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000906710602 736535744 /nfs/dbraw/zinc/53/57/44/736535744.db2.gz IXXNLRCZNFCATI-ROUUACIJSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnc1C(F)F ZINC000934587592 739811067 /nfs/dbraw/zinc/81/10/67/739811067.db2.gz OOODFGWZFUVTGJ-ZDUSSCGKSA-N 1 3 357.449 2.721 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnc1C(F)F ZINC000934587592 739811075 /nfs/dbraw/zinc/81/10/75/739811075.db2.gz OOODFGWZFUVTGJ-ZDUSSCGKSA-N 1 3 357.449 2.721 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000935740666 740003672 /nfs/dbraw/zinc/00/36/72/740003672.db2.gz SIJQDIBJWKBJMS-GPANFISMSA-N 1 3 361.452 2.781 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000935740666 740003678 /nfs/dbraw/zinc/00/36/78/740003678.db2.gz SIJQDIBJWKBJMS-GPANFISMSA-N 1 3 361.452 2.781 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC000961848105 740638650 /nfs/dbraw/zinc/63/86/50/740638650.db2.gz FIQQPIAVJLZCSW-FKFRUQKQSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC000961848105 740638652 /nfs/dbraw/zinc/63/86/52/740638652.db2.gz FIQQPIAVJLZCSW-FKFRUQKQSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc([Si](C)(C)C)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000801935308 740665551 /nfs/dbraw/zinc/66/55/51/740665551.db2.gz CERKEKNPMOWBIU-RXVVDRJESA-N 1 3 359.634 2.690 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc([Si](C)(C)C)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000801935308 740665555 /nfs/dbraw/zinc/66/55/55/740665555.db2.gz CERKEKNPMOWBIU-RXVVDRJESA-N 1 3 359.634 2.690 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)c(F)c3)C2)CC[N@@H+]1C ZINC000968738321 740722732 /nfs/dbraw/zinc/72/27/32/740722732.db2.gz SUYIABHLAXNBRW-RVKKMQEKSA-N 1 3 367.896 2.900 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)c(F)c3)C2)CC[N@H+]1C ZINC000968738321 740722733 /nfs/dbraw/zinc/72/27/33/740722733.db2.gz SUYIABHLAXNBRW-RVKKMQEKSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000806495610 741064843 /nfs/dbraw/zinc/06/48/43/741064843.db2.gz IVXWEGKIQTWFII-MAUKXSAKSA-N 1 3 350.482 2.602 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000808718744 741255433 /nfs/dbraw/zinc/25/54/33/741255433.db2.gz BBFOOHUSFPUJSE-BPQIPLTHSA-N 1 3 367.584 2.881 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cc(C)ns3)C(C)(C)C2)CC[N@@H+]1C ZINC000995840145 741963045 /nfs/dbraw/zinc/96/30/45/741963045.db2.gz MIAJYGDVQXPHPY-BBWFWOEESA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cc(C)ns3)C(C)(C)C2)CC[N@H+]1C ZINC000995840145 741963046 /nfs/dbraw/zinc/96/30/46/741963046.db2.gz MIAJYGDVQXPHPY-BBWFWOEESA-N 1 3 364.559 2.508 20 0 FFADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(Br)cc1 ZINC000818965452 742316755 /nfs/dbraw/zinc/31/67/55/742316755.db2.gz AOQJGWCECDGNQH-QGZVFWFLSA-N 1 3 353.304 2.947 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001007376062 742329865 /nfs/dbraw/zinc/32/98/65/742329865.db2.gz HCHBFHMSSWMZJM-ATZDWAIDSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001007376062 742329869 /nfs/dbraw/zinc/32/98/69/742329869.db2.gz HCHBFHMSSWMZJM-ATZDWAIDSA-N 1 3 363.933 2.803 20 0 FFADHO Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000819175502 742348618 /nfs/dbraw/zinc/34/86/18/742348618.db2.gz YYYNJHAMSMQDQB-VAMGGRTRSA-N 1 3 350.478 2.525 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cc(Cl)ccc3F)C2)CC[N@@H+]1C ZINC001020174592 742536461 /nfs/dbraw/zinc/53/64/61/742536461.db2.gz IFVKQVWDNBVZBX-NBOOPKSLSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cc(Cl)ccc3F)C2)CC[N@H+]1C ZINC001020174592 742536465 /nfs/dbraw/zinc/53/64/65/742536465.db2.gz IFVKQVWDNBVZBX-NBOOPKSLSA-N 1 3 367.896 2.946 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CNCc3ccsc3)cc2)CC[N@@H+]1C ZINC001034819131 742934171 /nfs/dbraw/zinc/93/41/71/742934171.db2.gz WMZLBGRZRCBBDO-DNVCBOLYSA-N 1 3 357.523 2.994 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CNCc3ccsc3)cc2)CC[N@H+]1C ZINC001034819131 742934177 /nfs/dbraw/zinc/93/41/77/742934177.db2.gz WMZLBGRZRCBBDO-DNVCBOLYSA-N 1 3 357.523 2.994 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000829548761 745223520 /nfs/dbraw/zinc/22/35/20/745223520.db2.gz OHUPUGMIHSFAMG-HZPDHXFCSA-N 1 3 352.910 2.814 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000829548761 745223524 /nfs/dbraw/zinc/22/35/24/745223524.db2.gz OHUPUGMIHSFAMG-HZPDHXFCSA-N 1 3 352.910 2.814 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000830355707 745342217 /nfs/dbraw/zinc/34/22/17/745342217.db2.gz MQTOJUCVPZKHFO-KRWDZBQOSA-N 1 3 364.921 2.768 20 0 FFADHO Cc1cc([C@H](N)CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc(Cl)n1 ZINC000841851458 747476301 /nfs/dbraw/zinc/47/63/01/747476301.db2.gz QEXMGINCFXDUFB-CQSZACIVSA-N 1 3 362.836 2.857 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc(Cl)n1 ZINC000844178210 747983802 /nfs/dbraw/zinc/98/38/02/747983802.db2.gz MCSFPLRROQYDBV-HZPDHXFCSA-N 1 3 350.894 2.520 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@]3(C)C[C@@]3(F)Cl)CC2)CC1 ZINC000844934779 748140625 /nfs/dbraw/zinc/14/06/25/748140625.db2.gz FKRPGEPCLQIHPZ-ROUUACIJSA-N 1 3 374.932 2.549 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000848033380 748831006 /nfs/dbraw/zinc/83/10/06/748831006.db2.gz VXCRXKGFTICQMV-UHFFFAOYSA-N 1 3 370.950 2.609 20 0 FFADHO C[C@@H](C[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)CN(C)C ZINC000850470458 749369601 /nfs/dbraw/zinc/36/96/01/749369601.db2.gz DVLUSHMESZORTK-XJKSGUPXSA-N 1 3 357.420 2.810 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)c2cccn2C2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398039174 970919568 /nfs/dbraw/zinc/91/95/68/970919568.db2.gz KHJHDSLXMZWFLP-MJGOQNOKSA-N 1 3 366.509 2.805 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)CCc4ccccc43)CC2)CC1 ZINC000648757018 1013052729 /nfs/dbraw/zinc/05/27/29/1013052729.db2.gz VNSATXBJORVJKP-QFIPXVFZSA-N 1 3 355.526 2.565 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@@H]2C1 ZINC001087908810 971066735 /nfs/dbraw/zinc/06/67/35/971066735.db2.gz OEBBTFRBQMUOGX-KPFFTGBYSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@@H]2C1 ZINC001087908810 971066744 /nfs/dbraw/zinc/06/67/44/971066744.db2.gz OEBBTFRBQMUOGX-KPFFTGBYSA-N 1 3 359.489 2.509 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](OC)C2CCCC2)C1 ZINC001104938634 971189384 /nfs/dbraw/zinc/18/93/84/971189384.db2.gz YUWCREIAHAQXHB-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CC[NH2+]Cc1cc(F)ccc1F ZINC001105014539 971356779 /nfs/dbraw/zinc/35/67/79/971356779.db2.gz UYSKZPXDFWKMTO-HZPDHXFCSA-N 1 3 365.468 2.635 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCCc4ccccc4)CC[C@@H]3C2)CCC1 ZINC001087992187 971736087 /nfs/dbraw/zinc/73/60/87/971736087.db2.gz HVDOVQHHMOTPOB-RTWAWAEBSA-N 1 3 369.553 2.884 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCCc4ccccc4)CC[C@@H]3C2)CCC1 ZINC001087992187 971736088 /nfs/dbraw/zinc/73/60/88/971736088.db2.gz HVDOVQHHMOTPOB-RTWAWAEBSA-N 1 3 369.553 2.884 20 0 FFADHO Cc1cc(C)cc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974596806 972045063 /nfs/dbraw/zinc/04/50/63/972045063.db2.gz AMYPHWRUYZWJKH-RLLQIKCJSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1cc(C)cc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974596806 972045072 /nfs/dbraw/zinc/04/50/72/972045072.db2.gz AMYPHWRUYZWJKH-RLLQIKCJSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCc2ccccc2C1 ZINC000652127293 972245133 /nfs/dbraw/zinc/24/51/33/972245133.db2.gz LMASOGVYXCTBCT-ONTIZHBOSA-N 1 3 370.541 2.594 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000654734504 958868134 /nfs/dbraw/zinc/86/81/34/958868134.db2.gz HVLSIQCMSSNWFT-FHWLQOOXSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000654734504 958868149 /nfs/dbraw/zinc/86/81/49/958868149.db2.gz HVLSIQCMSSNWFT-FHWLQOOXSA-N 1 3 362.493 2.745 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc3ccccc3c1)C2 ZINC000660653302 972442486 /nfs/dbraw/zinc/44/24/86/972442486.db2.gz APXOHVNJTOKQDY-RBBKRZOGSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc3ccccc3c1)C2 ZINC000660653302 972442494 /nfs/dbraw/zinc/44/24/94/972442494.db2.gz APXOHVNJTOKQDY-RBBKRZOGSA-N 1 3 354.494 2.997 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](COC)CC(C)(C)C)CC2)CC1 ZINC000655304810 959721044 /nfs/dbraw/zinc/72/10/44/959721044.db2.gz IFEHNFWHIWVJHD-SFHVURJKSA-N 1 3 367.578 2.750 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000683421004 960515210 /nfs/dbraw/zinc/51/52/10/960515210.db2.gz NKYIROBHRPVIJF-LEWJYISDSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000683421004 960515225 /nfs/dbraw/zinc/51/52/25/960515225.db2.gz NKYIROBHRPVIJF-LEWJYISDSA-N 1 3 370.541 2.919 20 0 FFADHO O=C1CCCN1Cc1cccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655689072 961073515 /nfs/dbraw/zinc/07/35/15/961073515.db2.gz WKUPMQMYFDLIAU-OAQYLSRUSA-N 1 3 371.525 2.542 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655737827 961210555 /nfs/dbraw/zinc/21/05/55/961210555.db2.gz DSSURARMDZXLFN-NRFANRHFSA-N 1 3 372.557 2.802 20 0 FFADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000655814503 961400401 /nfs/dbraw/zinc/40/04/01/961400401.db2.gz MRBOYOZATSVMEN-HXUWFJFHSA-N 1 3 353.466 2.670 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001104287407 961818494 /nfs/dbraw/zinc/81/84/94/961818494.db2.gz FPGLBTMNGYIZQF-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001095424487 1013333072 /nfs/dbraw/zinc/33/30/72/1013333072.db2.gz SIYJTGCANOYAFW-ANULTFPQSA-N 1 3 353.510 2.558 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000655353794 962595044 /nfs/dbraw/zinc/59/50/44/962595044.db2.gz WDMQXLRJQHBKHQ-NHCUHLMSSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000655353794 962595054 /nfs/dbraw/zinc/59/50/54/962595054.db2.gz WDMQXLRJQHBKHQ-NHCUHLMSSA-N 1 3 370.541 2.575 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000649381339 1013387838 /nfs/dbraw/zinc/38/78/38/1013387838.db2.gz MFSDHSFGGFYSRZ-UTKZUKDTSA-N 1 3 363.505 2.510 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000649381339 1013387852 /nfs/dbraw/zinc/38/78/52/1013387852.db2.gz MFSDHSFGGFYSRZ-UTKZUKDTSA-N 1 3 363.505 2.510 20 0 FFADHO COc1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCN2C)c1 ZINC001087135236 963080405 /nfs/dbraw/zinc/08/04/05/963080405.db2.gz XDQUIINDPCZCMA-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(OC)cc1 ZINC000873248057 1013446754 /nfs/dbraw/zinc/44/67/54/1013446754.db2.gz YVLGBZCQSCFIMM-FQEVSTJZSA-N 1 3 351.454 2.976 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCc4c3cc(F)cc4F)c2)nn1 ZINC000873244070 1013444519 /nfs/dbraw/zinc/44/45/19/1013444519.db2.gz PUIZFQRSFJWRGM-IBGZPJMESA-N 1 3 355.392 2.781 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873304837 1013471715 /nfs/dbraw/zinc/47/17/15/1013471715.db2.gz AYTHWNSSZUMQPJ-QUCCMNQESA-N 1 3 374.554 2.684 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000664339271 964157188 /nfs/dbraw/zinc/15/71/88/964157188.db2.gz FPPQOLMQPHBRQJ-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000664339271 964157191 /nfs/dbraw/zinc/15/71/91/964157191.db2.gz FPPQOLMQPHBRQJ-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CC1([NH+]2CCCCC2)CCN(C(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000873326369 1013487219 /nfs/dbraw/zinc/48/72/19/1013487219.db2.gz APPSNGXXGNPFJP-UHFFFAOYSA-N 1 3 357.502 2.600 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000891534680 964439371 /nfs/dbraw/zinc/43/93/71/964439371.db2.gz OPILXKHRAQSRMX-PMACEKPBSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000891766102 965037738 /nfs/dbraw/zinc/03/77/38/965037738.db2.gz RJGBIAXIDNOIGF-DBVUQKKJSA-N 1 3 370.541 2.653 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000891766102 965037750 /nfs/dbraw/zinc/03/77/50/965037750.db2.gz RJGBIAXIDNOIGF-DBVUQKKJSA-N 1 3 370.541 2.653 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccccc3OCC(F)F)CC2)CC1 ZINC000894764696 965678690 /nfs/dbraw/zinc/67/86/90/965678690.db2.gz DDECHBCOPQDZRD-UHFFFAOYSA-N 1 3 367.484 2.790 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000892002162 965785740 /nfs/dbraw/zinc/78/57/40/965785740.db2.gz OPVYPNNIZPSXIO-UHFFFAOYSA-N 1 3 370.541 2.703 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000648169565 965929231 /nfs/dbraw/zinc/92/92/31/965929231.db2.gz XZGYGZDAURUSCS-CUWPLCDZSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000894884971 966078861 /nfs/dbraw/zinc/07/88/61/966078861.db2.gz NCZBLLDQVYMKPK-LAUBAEHRSA-N 1 3 370.541 2.966 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2F)C1 ZINC001112535940 967043346 /nfs/dbraw/zinc/04/33/46/967043346.db2.gz IGXXSXMWIVBWEI-UWJYYQICSA-N 1 3 370.472 2.552 20 0 FFADHO NC(=[NH2+])N(c1ccc(F)cc1)c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001167994293 967178186 /nfs/dbraw/zinc/17/81/86/967178186.db2.gz GTBFRLDZMKVODO-KRWDZBQOSA-N 1 3 353.401 2.771 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2scnc2C)C(C)C)CC[N@@H+]1C ZINC001267257610 967497910 /nfs/dbraw/zinc/49/79/10/967497910.db2.gz NHJAVYFGYLDCEL-DLBZAZTESA-N 1 3 366.575 2.899 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2scnc2C)C(C)C)CC[N@H+]1C ZINC001267257610 967497916 /nfs/dbraw/zinc/49/79/16/967497916.db2.gz NHJAVYFGYLDCEL-DLBZAZTESA-N 1 3 366.575 2.899 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000650728941 967620646 /nfs/dbraw/zinc/62/06/46/967620646.db2.gz WOWHQKCGIYFXSM-QUCCMNQESA-N 1 3 358.530 2.949 20 0 FFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001075800485 967669099 /nfs/dbraw/zinc/66/90/99/967669099.db2.gz ZXQYPAOSNZXTGP-LMVZCDADSA-N 1 3 365.521 2.574 20 0 FFADHO Cc1ccc(F)cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378440 967758091 /nfs/dbraw/zinc/75/80/91/967758091.db2.gz AKDQOKOWHIXXDE-FUHIMQAGSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023378440 967758099 /nfs/dbraw/zinc/75/80/99/967758099.db2.gz AKDQOKOWHIXXDE-FUHIMQAGSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211616074 968029015 /nfs/dbraw/zinc/02/90/15/968029015.db2.gz UUGRPCYQLRKZIS-YTQUADARSA-N 1 3 361.505 2.803 20 0 FFADHO C[NH+](C)CCOc1ccc(CNCc2ccc3c(=O)cc[nH]c3c2)cc1 ZINC000895201969 968415748 /nfs/dbraw/zinc/41/57/48/968415748.db2.gz KGWJLUBEEDKNSZ-UHFFFAOYSA-N 1 3 351.450 2.758 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1cccnc1C ZINC001087750153 968893677 /nfs/dbraw/zinc/89/36/77/968893677.db2.gz VDOXASHTUZKMAS-VQTJNVASSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H](NC/C(Cl)=C/Cl)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001267486723 969123749 /nfs/dbraw/zinc/12/37/49/969123749.db2.gz JMZFNWCFCFZTKQ-CDUAFBPOSA-N 1 3 362.345 2.862 20 0 FFADHO C[C@@H](NC/C(Cl)=C/Cl)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267486723 969123755 /nfs/dbraw/zinc/12/37/55/969123755.db2.gz JMZFNWCFCFZTKQ-CDUAFBPOSA-N 1 3 362.345 2.862 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+]1CCC(C)CC1 ZINC000659031836 969646232 /nfs/dbraw/zinc/64/62/32/969646232.db2.gz OTJUIHRDRXERME-APWZRJJASA-N 1 3 360.502 2.589 20 0 FFADHO C[C@H](CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000659037674 969655570 /nfs/dbraw/zinc/65/55/70/969655570.db2.gz JHRTYHBNJFARJN-APWZRJJASA-N 1 3 360.502 2.734 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042672 969664294 /nfs/dbraw/zinc/66/42/94/969664294.db2.gz LWAIBOUXKPCVRP-QZTJIDSGSA-N 1 3 360.502 2.589 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042672 969664301 /nfs/dbraw/zinc/66/43/01/969664301.db2.gz LWAIBOUXKPCVRP-QZTJIDSGSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[NH+](C)C)cc1 ZINC000659492241 969981860 /nfs/dbraw/zinc/98/18/60/969981860.db2.gz AJYBWLJCDCMQBT-QRVBRYPASA-N 1 3 364.509 2.569 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2cnoc2C)C1)[NH+](CC)CC ZINC001104667259 970068456 /nfs/dbraw/zinc/06/84/56/970068456.db2.gz HWTBQJQRKFLOTD-SUMDDJOVSA-N 1 3 364.534 2.678 20 0 FFADHO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001104731925 970192319 /nfs/dbraw/zinc/19/23/19/970192319.db2.gz FXEJOJDASOVOOJ-SOLBZPMBSA-N 1 3 370.497 2.796 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000892999610 970484716 /nfs/dbraw/zinc/48/47/16/970484716.db2.gz CMAGIAXYEGGDPR-IBGZPJMESA-N 1 3 356.514 2.531 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000893059610 970549765 /nfs/dbraw/zinc/54/97/65/970549765.db2.gz GMTMHBURSKURRF-FXAWDEMLSA-N 1 3 358.530 2.948 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)cc1 ZINC001088106191 972811491 /nfs/dbraw/zinc/81/14/91/972811491.db2.gz POMKJLFBACNIMG-TYPHKJRUSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)cc1 ZINC001088106191 972811501 /nfs/dbraw/zinc/81/15/01/972811501.db2.gz POMKJLFBACNIMG-TYPHKJRUSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)cc1 ZINC001088105843 972820360 /nfs/dbraw/zinc/82/03/60/972820360.db2.gz DSYWUWYOYZLGQD-NNWRFLSQSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@@H]3C2)cc1 ZINC001088105843 972820368 /nfs/dbraw/zinc/82/03/68/972820368.db2.gz DSYWUWYOYZLGQD-NNWRFLSQSA-N 1 3 369.553 2.802 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC000660912907 973125608 /nfs/dbraw/zinc/12/56/08/973125608.db2.gz DLDAUQMCTXJFNM-IRMYBRCSSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC000660912907 973125612 /nfs/dbraw/zinc/12/56/12/973125612.db2.gz DLDAUQMCTXJFNM-IRMYBRCSSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660938283 973205825 /nfs/dbraw/zinc/20/58/25/973205825.db2.gz KNBWOTIMMXTIFV-QFBILLFUSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660938283 973205831 /nfs/dbraw/zinc/20/58/31/973205831.db2.gz KNBWOTIMMXTIFV-QFBILLFUSA-N 1 3 373.545 2.779 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000876030779 1014114353 /nfs/dbraw/zinc/11/43/53/1014114353.db2.gz OARHVXSTBWWPHE-UHFFFAOYSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H](c1ccccc1F)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172564 973501499 /nfs/dbraw/zinc/50/14/99/973501499.db2.gz SPAYCRHNGPYVSH-KSZLIROESA-N 1 3 371.500 2.763 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001088212735 973681379 /nfs/dbraw/zinc/68/13/79/973681379.db2.gz MAWLMWQKRBGCDU-SQNIBIBYSA-N 1 3 369.500 2.686 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001088212735 973681386 /nfs/dbraw/zinc/68/13/86/973681386.db2.gz MAWLMWQKRBGCDU-SQNIBIBYSA-N 1 3 369.500 2.686 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000665640248 973793005 /nfs/dbraw/zinc/79/30/05/973793005.db2.gz PVXVKXBZWXAZBO-AWEZNQCLSA-N 1 3 364.490 2.587 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000665640248 973793013 /nfs/dbraw/zinc/79/30/13/973793013.db2.gz PVXVKXBZWXAZBO-AWEZNQCLSA-N 1 3 364.490 2.587 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000662729658 973828656 /nfs/dbraw/zinc/82/86/56/973828656.db2.gz JFUAWJQQVNPGSV-VXKWHMMOSA-N 1 3 357.542 2.704 20 0 FFADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)C1 ZINC001211674741 974937256 /nfs/dbraw/zinc/93/72/56/974937256.db2.gz ICWRLXGEUKQANQ-NRLBGXQRSA-N 1 3 361.917 2.665 20 0 FFADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)C1 ZINC001211674741 974937259 /nfs/dbraw/zinc/93/72/59/974937259.db2.gz ICWRLXGEUKQANQ-NRLBGXQRSA-N 1 3 361.917 2.665 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1cccc(OC)c1 ZINC000653106771 1014226386 /nfs/dbraw/zinc/22/63/86/1014226386.db2.gz MWRIZFBJHPQCDV-HSALFYBXSA-N 1 3 359.514 2.725 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cccc(CN4CCCC4)c3)C2)C1 ZINC000653185026 1014252239 /nfs/dbraw/zinc/25/22/39/1014252239.db2.gz VPHZNNXLUHUXCG-PWRODBHTSA-N 1 3 371.525 2.641 20 0 FFADHO Cc1nccn1CCCN1CC[N@@H+](CCCn2ccnc2C)[C@@H](C)[C@@H]1C ZINC000662221539 975361378 /nfs/dbraw/zinc/36/13/78/975361378.db2.gz APWUFEGDIDCBAD-ROUUACIJSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCCN1CC[N@H+](CCCn2ccnc2C)[C@@H](C)[C@@H]1C ZINC000662221539 975361385 /nfs/dbraw/zinc/36/13/85/975361385.db2.gz APWUFEGDIDCBAD-ROUUACIJSA-N 1 3 358.534 2.571 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1 ZINC001112529885 975366781 /nfs/dbraw/zinc/36/67/81/975366781.db2.gz UAHSEYKYMGMLGJ-BJLQDIEVSA-N 1 3 353.526 2.829 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000666995260 975595656 /nfs/dbraw/zinc/59/56/56/975595656.db2.gz IQJJHMZGRHJYQV-CABCVRRESA-N 1 3 361.486 2.685 20 0 FFADHO CC[C@H]([NH2+]C)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000662505045 975658849 /nfs/dbraw/zinc/65/88/49/975658849.db2.gz CVKGTJSNZFHVNF-ROUUACIJSA-N 1 3 355.486 2.575 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662507780 975664085 /nfs/dbraw/zinc/66/40/85/975664085.db2.gz QZXKHABGZFPSIM-IIBYNOLFSA-N 1 3 364.493 2.958 20 0 FFADHO C[C@H](CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)[NH+](C)C ZINC000662634351 975766472 /nfs/dbraw/zinc/76/64/72/975766472.db2.gz RKHUUGCREDUUBC-UTKZUKDTSA-N 1 3 369.509 2.592 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662661760 975798793 /nfs/dbraw/zinc/79/87/93/975798793.db2.gz VMPXOZPJSNXREM-UNMCSNQZSA-N 1 3 363.505 2.996 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662661760 975798801 /nfs/dbraw/zinc/79/88/01/975798801.db2.gz VMPXOZPJSNXREM-UNMCSNQZSA-N 1 3 363.505 2.996 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cccc2c1CC[NH2+]C2 ZINC000662681680 975820472 /nfs/dbraw/zinc/82/04/72/975820472.db2.gz AZWNAWJQSJYEAM-UHFFFAOYSA-N 1 3 365.477 2.541 20 0 FFADHO c1c(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)nc1C1CC1 ZINC000663425762 975864227 /nfs/dbraw/zinc/86/42/27/975864227.db2.gz SMUQFMXGFZVDBQ-JKSUJKDBSA-N 1 3 368.529 2.651 20 0 FFADHO c1c(N[C@H]2CC[N@H+](C3CC3)C2)nc(N[C@@H]2CCN(C3CC3)C2)nc1C1CC1 ZINC000663425762 975864237 /nfs/dbraw/zinc/86/42/37/975864237.db2.gz SMUQFMXGFZVDBQ-JKSUJKDBSA-N 1 3 368.529 2.651 20 0 FFADHO CCN(CC)[C@H](CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000876715971 1014359723 /nfs/dbraw/zinc/35/97/23/1014359723.db2.gz RTNWZFAYNXDIPB-KATAIJTDSA-N 1 3 359.514 2.750 20 0 FFADHO COc1cccc(Cl)c1CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268366331 977438394 /nfs/dbraw/zinc/43/83/94/977438394.db2.gz MWPWVYUONZZUII-RBSFLKMASA-N 1 3 367.921 2.673 20 0 FFADHO COc1cccc(Cl)c1CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268366331 977438402 /nfs/dbraw/zinc/43/84/02/977438402.db2.gz MWPWVYUONZZUII-RBSFLKMASA-N 1 3 367.921 2.673 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2OCC(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000894076259 977656240 /nfs/dbraw/zinc/65/62/40/977656240.db2.gz MANHQQUBXMMNFG-FUHWJXTLSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000894076259 977656245 /nfs/dbraw/zinc/65/62/45/977656245.db2.gz MANHQQUBXMMNFG-FUHWJXTLSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc2ccccc21 ZINC000663858963 977674388 /nfs/dbraw/zinc/67/43/88/977674388.db2.gz OWJBFMQKZWMJSW-KRWDZBQOSA-N 1 3 356.514 2.911 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc2ccccc21 ZINC000663858963 977674391 /nfs/dbraw/zinc/67/43/91/977674391.db2.gz OWJBFMQKZWMJSW-KRWDZBQOSA-N 1 3 356.514 2.911 20 0 FFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001076086210 979094656 /nfs/dbraw/zinc/09/46/56/979094656.db2.gz UCJZQFZBULWITI-PWRODBHTSA-N 1 3 353.510 2.594 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001076244553 979278059 /nfs/dbraw/zinc/27/80/59/979278059.db2.gz SQVGRQWONJQWHU-YUXAGFNASA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001076244553 979278063 /nfs/dbraw/zinc/27/80/63/979278063.db2.gz SQVGRQWONJQWHU-YUXAGFNASA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c(C)c1 ZINC001076244776 979278783 /nfs/dbraw/zinc/27/87/83/979278783.db2.gz YZKAAODPENZDSG-DZFGPLHGSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c(C)c1 ZINC001076244776 979278790 /nfs/dbraw/zinc/27/87/90/979278790.db2.gz YZKAAODPENZDSG-DZFGPLHGSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@@H]1C[C@H](Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000877609709 1014643754 /nfs/dbraw/zinc/64/37/54/1014643754.db2.gz HEPLVUJOSDZVPG-UYAOXDASSA-N 1 3 360.546 2.598 20 0 FFADHO C[C@@H]1C[C@H](Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000877609709 1014643761 /nfs/dbraw/zinc/64/37/61/1014643761.db2.gz HEPLVUJOSDZVPG-UYAOXDASSA-N 1 3 360.546 2.598 20 0 FFADHO [NH3+]Cc1ccccc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000904641001 980316677 /nfs/dbraw/zinc/31/66/77/980316677.db2.gz SDGOSXMOUNJGIT-LJQANCHMSA-N 1 3 368.481 2.558 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)cc1C ZINC001088571847 981165268 /nfs/dbraw/zinc/16/52/68/981165268.db2.gz PKXXJCNEJXWJAF-QMMLZNLJSA-N 1 3 355.526 2.724 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Cc1ccccc1 ZINC000668649625 981359191 /nfs/dbraw/zinc/35/91/91/981359191.db2.gz YDKKHCMKVHLWMB-NJYVYQBISA-N 1 3 372.557 2.581 20 0 FFADHO CC(C)Oc1cccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001483340786 981784752 /nfs/dbraw/zinc/78/47/52/981784752.db2.gz VNFCBXCSTDLFSC-SQGPQFPESA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)Oc1cccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001483340786 981784757 /nfs/dbraw/zinc/78/47/57/981784757.db2.gz VNFCBXCSTDLFSC-SQGPQFPESA-N 1 3 361.530 2.751 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659462 1014825558 /nfs/dbraw/zinc/82/55/58/1014825558.db2.gz FDTLXISECAQLEW-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000897875568 982542104 /nfs/dbraw/zinc/54/21/04/982542104.db2.gz GMQVNIYYYIAXBO-CTNGQTDRSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000897875568 982542113 /nfs/dbraw/zinc/54/21/13/982542113.db2.gz GMQVNIYYYIAXBO-CTNGQTDRSA-N 1 3 359.514 2.679 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416927966 984076274 /nfs/dbraw/zinc/07/62/74/984076274.db2.gz UBKPWPNFLWYPIV-YQVWRLOYSA-N 1 3 362.518 2.647 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cc(C)ccc2F)C2CC2)CC[N@@H+]1C ZINC001483564807 984091027 /nfs/dbraw/zinc/09/10/27/984091027.db2.gz RYXOBUQGZZXBDQ-DFQSSKMNSA-N 1 3 361.505 2.849 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cc(C)ccc2F)C2CC2)CC[N@H+]1C ZINC001483564807 984091037 /nfs/dbraw/zinc/09/10/37/984091037.db2.gz RYXOBUQGZZXBDQ-DFQSSKMNSA-N 1 3 361.505 2.849 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccc(F)c(F)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828608 984142439 /nfs/dbraw/zinc/14/24/39/984142439.db2.gz ZTMOFAGRRHIFCS-DDUZABMNSA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccc(F)c(F)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995828608 984142441 /nfs/dbraw/zinc/14/24/41/984142441.db2.gz ZTMOFAGRRHIFCS-DDUZABMNSA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000669483541 984648515 /nfs/dbraw/zinc/64/85/15/984648515.db2.gz ARBVLCOBOSZBHT-HOJAQTOUSA-N 1 3 358.530 2.840 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C[C@@H]21 ZINC000669483675 984653305 /nfs/dbraw/zinc/65/33/05/984653305.db2.gz GXIYIOUUOKHJSV-MHTWAQMVSA-N 1 3 370.541 2.982 20 0 FFADHO Cc1ncccc1C[N@@H+]1CC[C@@]2(CNC(=O)CN3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546558 984671029 /nfs/dbraw/zinc/67/10/29/984671029.db2.gz HQJDQZSJGJJSCA-UCNVEGJOSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1ncccc1C[N@H+]1CC[C@@]2(CNC(=O)CN3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546558 984671032 /nfs/dbraw/zinc/67/10/32/984671032.db2.gz HQJDQZSJGJJSCA-UCNVEGJOSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)CN4CCC[C@@H]4C)CCC[C@@H]23)c1 ZINC001107546666 984671451 /nfs/dbraw/zinc/67/14/51/984671451.db2.gz LDMRJEQGXXJFJS-CZTZKLFOSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)CN4CCC[C@@H]4C)CCC[C@@H]23)c1 ZINC001107546666 984671454 /nfs/dbraw/zinc/67/14/54/984671454.db2.gz LDMRJEQGXXJFJS-CZTZKLFOSA-N 1 3 370.541 2.735 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(F)(F)F)CC3)C1 ZINC001107546862 984673360 /nfs/dbraw/zinc/67/33/60/984673360.db2.gz RKOSGAIVSSJWRJ-ZMSDIMECSA-N 1 3 361.452 2.641 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(F)(F)F)CC3)C1 ZINC001107546862 984673365 /nfs/dbraw/zinc/67/33/65/984673365.db2.gz RKOSGAIVSSJWRJ-ZMSDIMECSA-N 1 3 361.452 2.641 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC[C@@H]1CCOC1)CC2 ZINC001107581896 984730226 /nfs/dbraw/zinc/73/02/26/984730226.db2.gz QAJZSKMGOMSATA-SFHLNBCPSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC[C@@H]1CCOC1)CC2 ZINC001107581896 984730231 /nfs/dbraw/zinc/73/02/31/984730231.db2.gz QAJZSKMGOMSATA-SFHLNBCPSA-N 1 3 365.562 2.506 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](OC)C1CCC1)CC2 ZINC001107582070 984731998 /nfs/dbraw/zinc/73/19/98/984731998.db2.gz VJAGZZGIQOCKEQ-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](OC)C1CCC1)CC2 ZINC001107582070 984732002 /nfs/dbraw/zinc/73/20/02/984732002.db2.gz VJAGZZGIQOCKEQ-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncc(C)c1)CC2 ZINC001107583375 984750318 /nfs/dbraw/zinc/75/03/18/984750318.db2.gz ZYQSMGVWGCZYED-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cncc(C)c1)CC2 ZINC001107583375 984750319 /nfs/dbraw/zinc/75/03/19/984750319.db2.gz ZYQSMGVWGCZYED-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(OCC)C1)CC2 ZINC001107617674 984841758 /nfs/dbraw/zinc/84/17/58/984841758.db2.gz NGIPMRGIXBTKDK-SDVBZNEUSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(OCC)C1)CC2 ZINC001107617674 984841765 /nfs/dbraw/zinc/84/17/65/984841765.db2.gz NGIPMRGIXBTKDK-SDVBZNEUSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H](c1ccccc1)N(C)C ZINC000669583355 984849803 /nfs/dbraw/zinc/84/98/03/984849803.db2.gz MXHZBVIAPWGVMU-FOIQADDNSA-N 1 3 352.482 2.780 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1ccccc1)CC2 ZINC001107646793 984938159 /nfs/dbraw/zinc/93/81/59/984938159.db2.gz WLRZTLGFGNYOGR-IFMALSPDSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1ccccc1)CC2 ZINC001107646793 984938164 /nfs/dbraw/zinc/93/81/64/984938164.db2.gz WLRZTLGFGNYOGR-IFMALSPDSA-N 1 3 357.542 2.930 20 0 FFADHO CN(Cc1ccnn1-c1ccncc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000826054477 1015120508 /nfs/dbraw/zinc/12/05/08/1015120508.db2.gz XXANRKYRJIKRAO-UHFFFAOYSA-N 1 3 357.458 2.755 20 0 FFADHO C[N@H+](Cc1ccnn1-c1ccncc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000826054477 1015120515 /nfs/dbraw/zinc/12/05/15/1015120515.db2.gz XXANRKYRJIKRAO-UHFFFAOYSA-N 1 3 357.458 2.755 20 0 FFADHO C[N@@H+](Cc1ccnn1-c1ccncc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000826054477 1015120519 /nfs/dbraw/zinc/12/05/19/1015120519.db2.gz XXANRKYRJIKRAO-UHFFFAOYSA-N 1 3 357.458 2.755 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCN1C[C@@H]1CCCCO1 ZINC001088922659 985468275 /nfs/dbraw/zinc/46/82/75/985468275.db2.gz WVPBGHOTWIXROA-UXPWSPDFSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=S)NC2CCN(C)CC2)C1 ZINC000063148911 985738966 /nfs/dbraw/zinc/73/89/66/985738966.db2.gz AAQVZLVOZJKNPC-QGZVFWFLSA-N 1 3 374.598 2.977 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=S)NC2CCN(C)CC2)C1 ZINC000063148911 985738972 /nfs/dbraw/zinc/73/89/72/985738972.db2.gz AAQVZLVOZJKNPC-QGZVFWFLSA-N 1 3 374.598 2.977 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC000998015977 985888162 /nfs/dbraw/zinc/88/81/62/985888162.db2.gz HBHMSQVYYKWULV-MISYRCLQSA-N 1 3 358.530 2.625 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC000998015977 985888170 /nfs/dbraw/zinc/88/81/70/985888170.db2.gz HBHMSQVYYKWULV-MISYRCLQSA-N 1 3 358.530 2.625 20 0 FFADHO C[NH+]1CCC(NC(=O)CN[C@](C)(Cc2ccccc2)c2ccccc2)CC1 ZINC000878715799 1015180263 /nfs/dbraw/zinc/18/02/63/1015180263.db2.gz CVRZHHYLLHZFJE-HSZRJFAPSA-N 1 3 365.521 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3ccccc3F)CC2)CC[N@@H+]1C ZINC001002859768 987553146 /nfs/dbraw/zinc/55/31/46/987553146.db2.gz TUWUKWSRHQPIKU-AZUAARDMSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3ccccc3F)CC2)CC[N@H+]1C ZINC001002859768 987553154 /nfs/dbraw/zinc/55/31/54/987553154.db2.gz TUWUKWSRHQPIKU-AZUAARDMSA-N 1 3 361.505 2.679 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001106245962 987750712 /nfs/dbraw/zinc/75/07/12/987750712.db2.gz HNOCQHQKOTXEPA-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001106249544 987758540 /nfs/dbraw/zinc/75/85/40/987758540.db2.gz KCMKOVVRWUCZHN-FVQBIDKESA-N 1 3 363.468 2.743 20 0 FFADHO CC[C@@H](CNC(=S)NC[C@@H]1CCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000914704149 987863926 /nfs/dbraw/zinc/86/39/26/987863926.db2.gz PKAZTVPKQZLOMC-PMACEKPBSA-N 1 3 374.598 2.772 20 0 FFADHO CC[C@@H](CNC(=S)NC[C@@H]1CCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000914704149 987863931 /nfs/dbraw/zinc/86/39/31/987863931.db2.gz PKAZTVPKQZLOMC-PMACEKPBSA-N 1 3 374.598 2.772 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C)cc1 ZINC001106312616 987945310 /nfs/dbraw/zinc/94/53/10/987945310.db2.gz KXBVQWOIFSQXEM-DUXKGJEZSA-N 1 3 359.558 2.816 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001085196530 988278177 /nfs/dbraw/zinc/27/81/77/988278177.db2.gz CWPVUEKNCJGKEA-AQNXPRMDSA-N 1 3 358.530 2.780 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000922386479 988542798 /nfs/dbraw/zinc/54/27/98/988542798.db2.gz HPILOBWOEPOWEL-NCYKPQTJSA-N 1 3 372.488 2.581 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000922386479 988542803 /nfs/dbraw/zinc/54/28/03/988542803.db2.gz HPILOBWOEPOWEL-NCYKPQTJSA-N 1 3 372.488 2.581 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(NC(C)=O)c3)C2)[C@H]1C(C)C ZINC000922391825 988548846 /nfs/dbraw/zinc/54/88/46/988548846.db2.gz ABAKITKYTPQBNK-XRXFAXGQSA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(NC(C)=O)c3)C2)[C@H]1C(C)C ZINC000922391825 988548862 /nfs/dbraw/zinc/54/88/62/988548862.db2.gz ABAKITKYTPQBNK-XRXFAXGQSA-N 1 3 359.514 2.604 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](C4CC4)C[C@@H]3C3CC3)CC2)CC1 ZINC000915500248 988767219 /nfs/dbraw/zinc/76/72/19/988767219.db2.gz HAAGGGNUDGBPJY-WIYYLYMNSA-N 1 3 374.573 2.765 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@@H+]1C ZINC001033092760 988776238 /nfs/dbraw/zinc/77/62/38/988776238.db2.gz VBBVWMCZZWCJLQ-TYCQWZJGSA-N 1 3 355.526 2.937 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@H+]1C ZINC001033092760 988776247 /nfs/dbraw/zinc/77/62/47/988776247.db2.gz VBBVWMCZZWCJLQ-TYCQWZJGSA-N 1 3 355.526 2.937 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOCC(C)C)[C@H](C)C1 ZINC001106775562 989019096 /nfs/dbraw/zinc/01/90/96/989019096.db2.gz PCVRPEUEODENBQ-WOJBJXKFSA-N 1 3 369.594 2.855 20 0 FFADHO c1ccc([C@@H]2CC[C@@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C[NH2+]2)cc1 ZINC001212211827 989171852 /nfs/dbraw/zinc/17/18/52/989171852.db2.gz IBVZCECAFYEDHG-SJORKVTESA-N 1 3 361.449 2.986 20 0 FFADHO COc1cccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001034215061 989971462 /nfs/dbraw/zinc/97/14/62/989971462.db2.gz VNLKKJFTQYGZGC-YVWKXTFCSA-N 1 3 359.514 2.506 20 0 FFADHO COc1cccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001034215061 989971470 /nfs/dbraw/zinc/97/14/70/989971470.db2.gz VNLKKJFTQYGZGC-YVWKXTFCSA-N 1 3 359.514 2.506 20 0 FFADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652346100 1015532081 /nfs/dbraw/zinc/53/20/81/1015532081.db2.gz UAKWCQDCIQSQDE-CMKODMSKSA-N 1 3 359.514 2.646 20 0 FFADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345547 1015534792 /nfs/dbraw/zinc/53/47/92/1015534792.db2.gz DVUVMEFSCCBWEO-UDKQVLDHSA-N 1 3 371.525 2.571 20 0 FFADHO CCO[C@@H]1CN(CC2(COc3cccc(COC)c3)CCC2)C[C@H]1C[NH3+] ZINC000652356352 1015537309 /nfs/dbraw/zinc/53/73/09/1015537309.db2.gz CTGWGYCHBFFQGA-UYAOXDASSA-N 1 3 362.514 2.678 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3cccnc3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089388627 990259306 /nfs/dbraw/zinc/25/93/06/990259306.db2.gz FNNVZQJXFKZEKR-NZSAHSFTSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3cccnc3)CC(C)(C)C2)CC[N@H+]1C ZINC001089388627 990259308 /nfs/dbraw/zinc/25/93/08/990259308.db2.gz FNNVZQJXFKZEKR-NZSAHSFTSA-N 1 3 358.530 2.529 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC(C)(C)C(=O)NCC2CCCC2)cc1 ZINC000676356040 990563871 /nfs/dbraw/zinc/56/38/71/990563871.db2.gz GKVJGIQJBOWVNP-UHFFFAOYSA-N 1 3 361.530 2.802 20 0 FFADHO C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000676647428 990628377 /nfs/dbraw/zinc/62/83/77/990628377.db2.gz AOMVMLQVMPGDKH-SJORKVTESA-N 1 3 373.545 2.637 20 0 FFADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N3[C@@H]4CC[C@H]3CN(C)CC4)cc2)CC1 ZINC000923295949 991040557 /nfs/dbraw/zinc/04/05/57/991040557.db2.gz LCYHFZMKZVZWHD-RTWAWAEBSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3[C@@H]4CC[C@H]3C[N@H+](C)CC4)cc2)CC1 ZINC000923295949 991040564 /nfs/dbraw/zinc/04/05/64/991040564.db2.gz LCYHFZMKZVZWHD-RTWAWAEBSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3[C@@H]4CC[C@H]3C[N@@H+](C)CC4)cc2)CC1 ZINC000923295949 991040573 /nfs/dbraw/zinc/04/05/73/991040573.db2.gz LCYHFZMKZVZWHD-RTWAWAEBSA-N 1 3 370.541 2.526 20 0 FFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000923487079 991177734 /nfs/dbraw/zinc/17/77/34/991177734.db2.gz WQAOKHWCUYDFAZ-IERDGZPVSA-N 1 3 369.534 2.893 20 0 FFADHO [NH3+]CC[C@H]1CCN(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000923489627 991185872 /nfs/dbraw/zinc/18/58/72/991185872.db2.gz PYLVKWNTBIVBCA-PZJWPPBQSA-N 1 3 351.494 2.757 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503828 991204644 /nfs/dbraw/zinc/20/46/44/991204644.db2.gz LVGIPVIVWXNDIJ-SQNIBIBYSA-N 1 3 358.530 2.921 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc3cccnc32)[C@H](C)C1 ZINC001106906067 991312352 /nfs/dbraw/zinc/31/23/52/991312352.db2.gz VVBCUYLWHVAZHO-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000380444515 991687417 /nfs/dbraw/zinc/68/74/17/991687417.db2.gz CSCKLPXZIWIYIS-JQVVWYNYSA-N 1 3 373.541 2.547 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000380444515 991687470 /nfs/dbraw/zinc/68/74/70/991687470.db2.gz CSCKLPXZIWIYIS-JQVVWYNYSA-N 1 3 373.541 2.547 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1nsc2ccccc12 ZINC001484993152 991805994 /nfs/dbraw/zinc/80/59/94/991805994.db2.gz ZGMASORBBNYDHB-RRFJBIMHSA-N 1 3 360.527 2.621 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1nsc2ccccc12 ZINC001484993152 991806004 /nfs/dbraw/zinc/80/60/04/991806004.db2.gz ZGMASORBBNYDHB-RRFJBIMHSA-N 1 3 360.527 2.621 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198864 991873419 /nfs/dbraw/zinc/87/34/19/991873419.db2.gz WEVSFNBUWLJMAU-FFZOFVMBSA-N 1 3 361.505 2.850 20 0 FFADHO CCc1ccc2nccc(NC3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000450331431 991941622 /nfs/dbraw/zinc/94/16/22/991941622.db2.gz VOOOBKGWELDNIT-UHFFFAOYSA-N 1 3 354.498 2.574 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001079494348 992159147 /nfs/dbraw/zinc/15/91/47/992159147.db2.gz ATOOULHQXCJXSD-CDHQVMDDSA-N 1 3 358.530 2.544 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001079494348 992159150 /nfs/dbraw/zinc/15/91/50/992159150.db2.gz ATOOULHQXCJXSD-CDHQVMDDSA-N 1 3 358.530 2.544 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001079494348 992159153 /nfs/dbraw/zinc/15/91/53/992159153.db2.gz ATOOULHQXCJXSD-CDHQVMDDSA-N 1 3 358.530 2.544 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)C34CCCN3CCC4)C2)cc1 ZINC001080037174 992687082 /nfs/dbraw/zinc/68/70/82/992687082.db2.gz GBAHPSFRGXHTNC-TZIWHRDSSA-N 1 3 369.553 2.993 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CCCN3CCC4)C2)cc1 ZINC001080037174 992687085 /nfs/dbraw/zinc/68/70/85/992687085.db2.gz GBAHPSFRGXHTNC-TZIWHRDSSA-N 1 3 369.553 2.993 20 0 FFADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188967 992807975 /nfs/dbraw/zinc/80/79/75/992807975.db2.gz ZEEHLCQIBNTDNF-ATZDWAIDSA-N 1 3 361.555 2.602 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188967 992807983 /nfs/dbraw/zinc/80/79/83/992807983.db2.gz ZEEHLCQIBNTDNF-ATZDWAIDSA-N 1 3 361.555 2.602 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1CNCc1cscn1 ZINC001106998671 992928798 /nfs/dbraw/zinc/92/87/98/992928798.db2.gz RGGIDALAGZRBPZ-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 ZINC001107036946 993291752 /nfs/dbraw/zinc/29/17/52/993291752.db2.gz UVTKCFASWNNYDC-UVJSEXORSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccccc2Cl)[C@H](C)C1 ZINC001107042349 993296483 /nfs/dbraw/zinc/29/64/83/993296483.db2.gz IUIOLQBIWQXBDZ-SJLPKXTDSA-N 1 3 365.949 2.907 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512330841 993663643 /nfs/dbraw/zinc/66/36/43/993663643.db2.gz YNHRDRDXAPVOTR-WMZOPIPTSA-N 1 3 367.484 2.990 20 0 FFADHO CC(C)=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001131557982 994392414 /nfs/dbraw/zinc/39/24/14/994392414.db2.gz AIVARWMZJWMBDJ-AQNXPRMDSA-N 1 3 365.562 2.525 20 0 FFADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCC(C)C)CC1 ZINC001131596976 994444282 /nfs/dbraw/zinc/44/42/82/994444282.db2.gz DUHFMVSQORPRQB-CTNGQTDRSA-N 1 3 367.578 2.750 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)c1 ZINC001082507365 994788656 /nfs/dbraw/zinc/78/86/56/994788656.db2.gz NWTCDCCZXOTZNA-AHRSYUTCSA-N 1 3 361.505 2.943 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)c1 ZINC001082507365 994788669 /nfs/dbraw/zinc/78/86/69/994788669.db2.gz NWTCDCCZXOTZNA-AHRSYUTCSA-N 1 3 361.505 2.943 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001082557479 994927599 /nfs/dbraw/zinc/92/75/99/994927599.db2.gz HSSNYZNBSSUEAF-OXQOHEQNSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001082559483 994934436 /nfs/dbraw/zinc/93/44/36/994934436.db2.gz GNRGFXQYRBZUBX-PJSAGSTRSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001082562138 994945777 /nfs/dbraw/zinc/94/57/77/994945777.db2.gz QOIICDSLUOCREP-IIBYNOLFSA-N 1 3 366.509 2.656 20 0 FFADHO Cc1nc(CN[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C)c(C)s1 ZINC001082620778 995100736 /nfs/dbraw/zinc/10/07/36/995100736.db2.gz WCLNASGJPVZAHV-KZULUSFZSA-N 1 3 369.494 2.658 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCCC[NH+]2CCCC2)N2CCCC2)c1 ZINC000054045697 995152561 /nfs/dbraw/zinc/15/25/61/995152561.db2.gz QXOCSGZBGFCJSZ-HXUWFJFHSA-N 1 3 374.529 2.617 20 0 FFADHO C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1CC[NH3+] ZINC000903497280 1015934345 /nfs/dbraw/zinc/93/43/45/1015934345.db2.gz STXASFAZFWQWDK-QZTJIDSGSA-N 1 3 358.530 2.922 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C)c1 ZINC001082681815 995268645 /nfs/dbraw/zinc/26/86/45/995268645.db2.gz WEDCPRWXSJVRQK-VQIMIIECSA-N 1 3 361.505 2.945 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC001082741217 995394370 /nfs/dbraw/zinc/39/43/70/995394370.db2.gz SRURFHBUJKFFOH-GPMSIDNRSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NCc1ccc(F)cc1Cl ZINC001082741401 995394398 /nfs/dbraw/zinc/39/43/98/995394398.db2.gz ZZCNAXNWHFXQQR-HBUWYVDXSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NCc1ccc(F)cc1Cl ZINC001082741401 995394404 /nfs/dbraw/zinc/39/44/04/995394404.db2.gz ZZCNAXNWHFXQQR-HBUWYVDXSA-N 1 3 367.896 2.900 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001082740788 995394633 /nfs/dbraw/zinc/39/46/33/995394633.db2.gz GLLIKTLLKIOFAK-DBXWQHBBSA-N 1 3 357.542 2.712 20 0 FFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001082743479 995401522 /nfs/dbraw/zinc/40/15/22/995401522.db2.gz DOSDEWOMJCVGDL-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001082766603 995450379 /nfs/dbraw/zinc/45/03/79/995450379.db2.gz JYZIZLMERIYAFA-OCBCSQNSSA-N 1 3 358.873 2.730 20 0 FFADHO Cc1cccnc1CN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134395 1015945310 /nfs/dbraw/zinc/94/53/10/1015945310.db2.gz BTQIEKZKXTVMJX-KNKQGSTJSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cccnc1CN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134395 1015945318 /nfs/dbraw/zinc/94/53/18/1015945318.db2.gz BTQIEKZKXTVMJX-KNKQGSTJSA-N 1 3 370.541 2.545 20 0 FFADHO CCn1c2cccc(F)c2nc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508857 1015945507 /nfs/dbraw/zinc/94/55/07/1015945507.db2.gz XKQCYKVODWSGLK-CALCHBBNSA-N 1 3 371.504 2.596 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1sccc1Cl ZINC001082861617 995666541 /nfs/dbraw/zinc/66/65/41/995666541.db2.gz IGEQQACDXMVBAL-VNHYZAJKSA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1sccc1Cl ZINC001082861617 995666544 /nfs/dbraw/zinc/66/65/44/995666544.db2.gz IGEQQACDXMVBAL-VNHYZAJKSA-N 1 3 355.935 2.680 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)c1 ZINC000813417609 995685730 /nfs/dbraw/zinc/68/57/30/995685730.db2.gz MJZPFFPHNUGJHU-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082941670 995877529 /nfs/dbraw/zinc/87/75/29/995877529.db2.gz GDQRYSNIBLKTMH-DNVCBOLYSA-N 1 3 365.468 2.777 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084338062 996467956 /nfs/dbraw/zinc/46/79/56/996467956.db2.gz CLMHKANLHFEDRC-NJDAHSKKSA-N 1 3 355.526 2.635 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21 ZINC001084338062 996467964 /nfs/dbraw/zinc/46/79/64/996467964.db2.gz CLMHKANLHFEDRC-NJDAHSKKSA-N 1 3 355.526 2.635 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccccc3)C[C@H]21 ZINC001084338062 996467970 /nfs/dbraw/zinc/46/79/70/996467970.db2.gz CLMHKANLHFEDRC-NJDAHSKKSA-N 1 3 355.526 2.635 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001084338062 996467976 /nfs/dbraw/zinc/46/79/76/996467976.db2.gz CLMHKANLHFEDRC-NJDAHSKKSA-N 1 3 355.526 2.635 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349606 996477200 /nfs/dbraw/zinc/47/72/00/996477200.db2.gz SNRQPWXLESEKEM-YPAWHYETSA-N 1 3 367.537 2.624 20 0 FFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545289 996665431 /nfs/dbraw/zinc/66/54/31/996665431.db2.gz CQDHDIDHHXEORB-TZIWHRDSSA-N 1 3 355.526 2.903 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21)N1CCCC1 ZINC001084571711 996684322 /nfs/dbraw/zinc/68/43/22/996684322.db2.gz AMMIRFSCZBECQA-GVDBMIGSSA-N 1 3 369.500 2.829 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21)N1CCCC1 ZINC001084571711 996684323 /nfs/dbraw/zinc/68/43/23/996684323.db2.gz AMMIRFSCZBECQA-GVDBMIGSSA-N 1 3 369.500 2.829 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]3C2)cc1 ZINC001084639270 996745551 /nfs/dbraw/zinc/74/55/51/996745551.db2.gz LYQUAIKMWZALHT-YPAWHYETSA-N 1 3 371.569 2.910 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]3C2)cc1 ZINC001084639270 996745553 /nfs/dbraw/zinc/74/55/53/996745553.db2.gz LYQUAIKMWZALHT-YPAWHYETSA-N 1 3 371.569 2.910 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000677053732 1016089954 /nfs/dbraw/zinc/08/99/54/1016089954.db2.gz KOEICMRCJFZJFM-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000677053732 1016089960 /nfs/dbraw/zinc/08/99/60/1016089960.db2.gz KOEICMRCJFZJFM-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1 ZINC001084773630 997297563 /nfs/dbraw/zinc/29/75/63/997297563.db2.gz XCMDIQJSRAKKTN-HMXCVIKNSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)c1 ZINC001084773630 997297569 /nfs/dbraw/zinc/29/75/69/997297569.db2.gz XCMDIQJSRAKKTN-HMXCVIKNSA-N 1 3 355.526 2.678 20 0 FFADHO COCCN(C)Cc1ccnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1 ZINC001171094619 997484197 /nfs/dbraw/zinc/48/41/97/997484197.db2.gz IHRRIVICLPHBBP-QGZVFWFLSA-N 1 3 364.493 2.920 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(C)C)C1)N(C)C ZINC001090875074 997530803 /nfs/dbraw/zinc/53/08/03/997530803.db2.gz GAPVCMGKOSKLOD-XUVXKRRUSA-N 1 3 361.530 2.575 20 0 FFADHO O=C1[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CN1CN1CCC[C@H]1C1CC1 ZINC000844691437 998062347 /nfs/dbraw/zinc/06/23/47/998062347.db2.gz MJETUAPMUNXPFN-ACRUOGEOSA-N 1 3 353.510 2.799 20 0 FFADHO O=C1[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CN1CN1CCC[C@H]1C1CC1 ZINC000844691437 998062360 /nfs/dbraw/zinc/06/23/60/998062360.db2.gz MJETUAPMUNXPFN-ACRUOGEOSA-N 1 3 353.510 2.799 20 0 FFADHO CCc1cc(C[N@H+](CCCN(C)C)CCC(=O)OC)cc(CC)c1O ZINC001144148465 998063813 /nfs/dbraw/zinc/06/38/13/998063813.db2.gz UCSPUFVMLVDWSQ-UHFFFAOYSA-N 1 3 350.503 2.834 20 0 FFADHO CCc1cc(C[N@@H+](CCCN(C)C)CCC(=O)OC)cc(CC)c1O ZINC001144148465 998063824 /nfs/dbraw/zinc/06/38/24/998063824.db2.gz UCSPUFVMLVDWSQ-UHFFFAOYSA-N 1 3 350.503 2.834 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cnccc4C)[C@H]3C2)CC[N@@H+]1C ZINC001084944551 998243915 /nfs/dbraw/zinc/24/39/15/998243915.db2.gz VMEJZXTVKSPTPN-PMXSJFBMSA-N 1 3 370.541 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cnccc4C)[C@H]3C2)CC[N@H+]1C ZINC001084944551 998243925 /nfs/dbraw/zinc/24/39/25/998243925.db2.gz VMEJZXTVKSPTPN-PMXSJFBMSA-N 1 3 370.541 2.543 20 0 FFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001084941346 998248760 /nfs/dbraw/zinc/24/87/60/998248760.db2.gz CIOJHGQIJNPPMM-QYZOEREBSA-N 1 3 359.539 2.513 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC([NH2+]C(C)C)CC3)cc2)CC1 ZINC000732417036 998652534 /nfs/dbraw/zinc/65/25/34/998652534.db2.gz LOSLPUANQNSMNC-UHFFFAOYSA-N 1 3 373.545 2.823 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)C1 ZINC001085075278 998855335 /nfs/dbraw/zinc/85/53/35/998855335.db2.gz XUIHTRSUPGOPOU-NSHGMRRFSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)C1 ZINC001085075278 998855337 /nfs/dbraw/zinc/85/53/37/998855337.db2.gz XUIHTRSUPGOPOU-NSHGMRRFSA-N 1 3 359.489 2.590 20 0 FFADHO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000733168795 998905568 /nfs/dbraw/zinc/90/55/68/998905568.db2.gz XNEZXJQPPQZBRZ-FQEVSTJZSA-N 1 3 360.546 2.533 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001085225122 999194917 /nfs/dbraw/zinc/19/49/17/999194917.db2.gz JOWKKCMTQYLDNJ-IPMKNSEASA-N 1 3 362.518 2.763 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001085225122 999194921 /nfs/dbraw/zinc/19/49/21/999194921.db2.gz JOWKKCMTQYLDNJ-IPMKNSEASA-N 1 3 362.518 2.763 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(OCc3ccc(F)cc3)CC2)cnn1C ZINC000903903378 1016297380 /nfs/dbraw/zinc/29/73/80/1016297380.db2.gz ULUNPMINXMONSI-GOSISDBHSA-N 1 3 374.504 2.666 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(Cl)s2)CC1 ZINC001085319916 999356967 /nfs/dbraw/zinc/35/69/67/999356967.db2.gz VTJRDSDUFIZODK-HUUCEWRRSA-N 1 3 370.950 2.655 20 0 FFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929478 1016310944 /nfs/dbraw/zinc/31/09/44/1016310944.db2.gz GOJLUDMXJCBIQX-AZUAARDMSA-N 1 3 351.498 2.972 20 0 FFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001085332308 999378377 /nfs/dbraw/zinc/37/83/77/999378377.db2.gz SBCVHMJBZJJSNJ-GDIGMMSISA-N 1 3 365.468 2.824 20 0 FFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(Cl)n2)C1 ZINC001085332923 999379236 /nfs/dbraw/zinc/37/92/36/999379236.db2.gz RSUMCSFGCQJSMT-USXIJHARSA-N 1 3 364.921 2.594 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)n2)C1 ZINC001085393843 999454515 /nfs/dbraw/zinc/45/45/15/999454515.db2.gz MSLZSPPCDVMRPT-DJIMGWMZSA-N 1 3 364.921 2.594 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)n2)C1 ZINC001085393843 999454518 /nfs/dbraw/zinc/45/45/18/999454518.db2.gz MSLZSPPCDVMRPT-DJIMGWMZSA-N 1 3 364.921 2.594 20 0 FFADHO CCc1ccccc1CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085605891 999587285 /nfs/dbraw/zinc/58/72/85/999587285.db2.gz WTQVSYJYNJCFFW-JRGCBEDISA-N 1 3 357.542 2.664 20 0 FFADHO CCc1ccccc1CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085605891 999587286 /nfs/dbraw/zinc/58/72/86/999587286.db2.gz WTQVSYJYNJCFFW-JRGCBEDISA-N 1 3 357.542 2.664 20 0 FFADHO COCCN(Cc1ccc(C)cc1C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903964478 1016339722 /nfs/dbraw/zinc/33/97/22/1016339722.db2.gz TVGKOJYDPIMODT-LJQANCHMSA-N 1 3 358.530 2.611 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001086371003 999875981 /nfs/dbraw/zinc/87/59/81/999875981.db2.gz KYZAIEDYBGLCJA-LZLXCTOHSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001086371003 999875982 /nfs/dbraw/zinc/87/59/82/999875982.db2.gz KYZAIEDYBGLCJA-LZLXCTOHSA-N 1 3 365.468 2.680 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCCO1 ZINC001096609761 1016362004 /nfs/dbraw/zinc/36/20/04/1016362004.db2.gz VXKRAOVACFPMOU-ZFMNYDKASA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCCO1 ZINC001096609761 1016362014 /nfs/dbraw/zinc/36/20/14/1016362014.db2.gz VXKRAOVACFPMOU-ZFMNYDKASA-N 1 3 371.525 2.652 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746397533 999985703 /nfs/dbraw/zinc/98/57/03/999985703.db2.gz MTHJHGYMLRSTPV-VQTJNVASSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746397533 999985705 /nfs/dbraw/zinc/98/57/05/999985705.db2.gz MTHJHGYMLRSTPV-VQTJNVASSA-N 1 3 374.598 2.942 20 0 FFADHO C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C[C@@]2(C)C1 ZINC001168933465 1000009868 /nfs/dbraw/zinc/00/98/68/1000009868.db2.gz YEKHPNDIXPMEEA-STZQEDGTSA-N 1 3 373.516 2.838 20 0 FFADHO CN(C)Cc1nc(CSCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cs1 ZINC001169098664 1000020723 /nfs/dbraw/zinc/02/07/23/1000020723.db2.gz KRZABMGOVRKNFT-MKZZRHPPSA-N 1 3 354.589 2.653 20 0 FFADHO CC[NH+]1CCC(N[C@H]2CO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001169230488 1000032335 /nfs/dbraw/zinc/03/23/35/1000032335.db2.gz CIWLTXAUWLXEER-YLJYHZDGSA-N 1 3 367.534 2.619 20 0 FFADHO CC(C)N1CCN(c2ccc(N3CCCc4ccc(C[NH3+])nc43)cn2)CC1 ZINC001169592217 1000060262 /nfs/dbraw/zinc/06/02/62/1000060262.db2.gz JFZRUBGTALXVSH-UHFFFAOYSA-N 1 3 366.513 2.550 20 0 FFADHO CCOC(=O)N1CCC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001169664578 1000067147 /nfs/dbraw/zinc/06/71/47/1000067147.db2.gz PLDJYPWCXQGTQF-HXUWFJFHSA-N 1 3 374.529 2.894 20 0 FFADHO CCc1ccc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1 ZINC001109651322 1000782890 /nfs/dbraw/zinc/78/28/90/1000782890.db2.gz UPWKHJQYAYLSHV-HKBOAZHASA-N 1 3 369.553 2.855 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1)[NH+](C)C ZINC001091758354 1001228917 /nfs/dbraw/zinc/22/89/17/1001228917.db2.gz AXGQGLQJBKDISG-LMNJBCLMSA-N 1 3 361.505 2.692 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)N(C)C ZINC001091758965 1001229397 /nfs/dbraw/zinc/22/93/97/1001229397.db2.gz TUAIJASJTOYSTO-DYXWJJEUSA-N 1 3 361.574 2.933 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)N(C)C ZINC001091758965 1001229403 /nfs/dbraw/zinc/22/94/03/1001229403.db2.gz TUAIJASJTOYSTO-DYXWJJEUSA-N 1 3 361.574 2.933 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754679 1001232758 /nfs/dbraw/zinc/23/27/58/1001232758.db2.gz XOXZKYLYFCEQMZ-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754679 1001232760 /nfs/dbraw/zinc/23/27/60/1001232760.db2.gz XOXZKYLYFCEQMZ-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1oncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086883045 1001301209 /nfs/dbraw/zinc/30/12/09/1001301209.db2.gz GPZZYCZSBKGZBL-QFBILLFUSA-N 1 3 370.497 2.733 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001112548896 1001458326 /nfs/dbraw/zinc/45/83/26/1001458326.db2.gz YKFWYPIEPURJGI-BZNBUERMSA-N 1 3 362.345 2.866 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CCCC[NH+](C)C)cc2)CC1 ZINC000786049996 1001524933 /nfs/dbraw/zinc/52/49/33/1001524933.db2.gz OQPOBLYSIIQCHT-UHFFFAOYSA-N 1 3 361.534 2.634 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3cc(F)ccc3Cl)CC2)C1=O ZINC001276198849 1016521658 /nfs/dbraw/zinc/52/16/58/1016521658.db2.gz UIJZQUHNZTYEKN-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCCCCC1 ZINC000677834406 1016560082 /nfs/dbraw/zinc/56/00/82/1016560082.db2.gz LRLDMEGNEKOHJB-QGZVFWFLSA-N 1 3 359.514 2.846 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010823 1002280581 /nfs/dbraw/zinc/28/05/81/1002280581.db2.gz MEQISDIACZWPRG-DWLFOUALSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010823 1002280585 /nfs/dbraw/zinc/28/05/85/1002280585.db2.gz MEQISDIACZWPRG-DWLFOUALSA-N 1 3 355.526 2.760 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C[C@@H]1C(F)(F)F ZINC001184388500 1002585044 /nfs/dbraw/zinc/58/50/44/1002585044.db2.gz QUHZMGFHMTUAFR-YUDUXTHKSA-N 1 3 362.436 2.827 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092299619 1002625778 /nfs/dbraw/zinc/62/57/78/1002625778.db2.gz DENBAUPDQHBGSI-KNQAVFIVSA-N 1 3 355.526 2.942 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092299619 1002625785 /nfs/dbraw/zinc/62/57/85/1002625785.db2.gz DENBAUPDQHBGSI-KNQAVFIVSA-N 1 3 355.526 2.942 20 0 FFADHO C[C@@H](F)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300541 1002629938 /nfs/dbraw/zinc/62/99/38/1002629938.db2.gz YZCFHAFKJJDWRX-BLIXFSHQSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@@H](F)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300541 1002629943 /nfs/dbraw/zinc/62/99/43/1002629943.db2.gz YZCFHAFKJJDWRX-BLIXFSHQSA-N 1 3 361.505 2.890 20 0 FFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001170427990 1003312256 /nfs/dbraw/zinc/31/22/56/1003312256.db2.gz ZNMPLCLPFBOMOU-GUDVDZBRSA-N 1 3 360.498 2.969 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197221885 1004130812 /nfs/dbraw/zinc/13/08/12/1004130812.db2.gz VCJNNVGTRYOCHC-UZLBHIALSA-N 1 3 371.566 2.562 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197221885 1004130816 /nfs/dbraw/zinc/13/08/16/1004130816.db2.gz VCJNNVGTRYOCHC-UZLBHIALSA-N 1 3 371.566 2.562 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806146117 1004246242 /nfs/dbraw/zinc/24/62/42/1004246242.db2.gz KDQOTVUPSLOTKP-QGZVFWFLSA-N 1 3 372.900 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775783885 1004320308 /nfs/dbraw/zinc/32/03/08/1004320308.db2.gz XOAHUBUPRLTKMW-FXAWDEMLSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000775783885 1004320315 /nfs/dbraw/zinc/32/03/15/1004320315.db2.gz XOAHUBUPRLTKMW-FXAWDEMLSA-N 1 3 358.530 2.887 20 0 FFADHO COc1nnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1C ZINC001170525597 1004615687 /nfs/dbraw/zinc/61/56/87/1004615687.db2.gz UVDMCPOPZLYBQX-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C ZINC001198843683 1004762384 /nfs/dbraw/zinc/76/23/84/1004762384.db2.gz ABVFQGDSQCGFPP-ZWKOTPCHSA-N 1 3 371.566 2.799 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C ZINC001198843683 1004762389 /nfs/dbraw/zinc/76/23/89/1004762389.db2.gz ABVFQGDSQCGFPP-ZWKOTPCHSA-N 1 3 371.566 2.799 20 0 FFADHO Cc1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1F ZINC001201482712 1005226890 /nfs/dbraw/zinc/22/68/90/1005226890.db2.gz ZLMXCCROJCJOOV-FQEVSTJZSA-N 1 3 357.473 2.513 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)CC[N@@H+]1C ZINC001110576304 1005315169 /nfs/dbraw/zinc/31/51/69/1005315169.db2.gz AQOUCTXFMNDFOK-FLTCSQOGSA-N 1 3 371.525 2.517 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)CC[N@H+]1C ZINC001110576304 1005315172 /nfs/dbraw/zinc/31/51/72/1005315172.db2.gz AQOUCTXFMNDFOK-FLTCSQOGSA-N 1 3 371.525 2.517 20 0 FFADHO Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)C2)on1 ZINC001488953842 1005385122 /nfs/dbraw/zinc/38/51/22/1005385122.db2.gz HASDTEKWQDMTNK-OKZBNKHCSA-N 1 3 362.518 2.622 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1c1ccccc1)N(C)C ZINC001489094885 1005419046 /nfs/dbraw/zinc/41/90/46/1005419046.db2.gz ZWLSTMZCTSOIRB-NJDAHSKKSA-N 1 3 357.542 2.957 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1c1ccccc1)N(C)C ZINC001489094885 1005419047 /nfs/dbraw/zinc/41/90/47/1005419047.db2.gz ZWLSTMZCTSOIRB-NJDAHSKKSA-N 1 3 357.542 2.957 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1CCc1ccccc1F ZINC001489268969 1005446191 /nfs/dbraw/zinc/44/61/91/1005446191.db2.gz DIPWZNUZTWPNFV-POAQFYNOSA-N 1 3 361.505 2.822 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CCN1CCc1ccccc1F ZINC001489268969 1005446193 /nfs/dbraw/zinc/44/61/93/1005446193.db2.gz DIPWZNUZTWPNFV-POAQFYNOSA-N 1 3 361.505 2.822 20 0 FFADHO COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001489292074 1005450691 /nfs/dbraw/zinc/45/06/91/1005450691.db2.gz XBMYMIPBPQUNAU-FUHIMQAGSA-N 1 3 371.541 2.595 20 0 FFADHO COCCCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001489292074 1005450692 /nfs/dbraw/zinc/45/06/92/1005450692.db2.gz XBMYMIPBPQUNAU-FUHIMQAGSA-N 1 3 371.541 2.595 20 0 FFADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)c1OC ZINC000850357418 1005810511 /nfs/dbraw/zinc/81/05/11/1005810511.db2.gz IXWHALRKAVUTQD-FQEVSTJZSA-N 1 3 370.493 2.869 20 0 FFADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)c1OC ZINC000850357418 1005810517 /nfs/dbraw/zinc/81/05/17/1005810517.db2.gz IXWHALRKAVUTQD-FQEVSTJZSA-N 1 3 370.493 2.869 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000852186534 1005948863 /nfs/dbraw/zinc/94/88/63/1005948863.db2.gz FHUNDOMSUADMJU-OWSLCNJRSA-N 1 3 371.566 2.559 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000852186534 1005948865 /nfs/dbraw/zinc/94/88/65/1005948865.db2.gz FHUNDOMSUADMJU-OWSLCNJRSA-N 1 3 371.566 2.559 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC001086712265 1005968026 /nfs/dbraw/zinc/96/80/26/1005968026.db2.gz XTMGYASQFYVIBU-LZLYRXPVSA-N 1 3 364.559 2.700 20 0 FFADHO CCc1ccccc1CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097101709 1017040245 /nfs/dbraw/zinc/04/02/45/1017040245.db2.gz VTYFHARNRVKJJA-DOJYXZBASA-N 1 3 369.553 2.853 20 0 FFADHO CCc1ccccc1CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097101709 1017040257 /nfs/dbraw/zinc/04/02/57/1017040257.db2.gz VTYFHARNRVKJJA-DOJYXZBASA-N 1 3 369.553 2.853 20 0 FFADHO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn4cncc4c3)C2)o1 ZINC001086746890 1007087792 /nfs/dbraw/zinc/08/77/92/1007087792.db2.gz WQXYPQXJGMBXGP-YQQAZPJKSA-N 1 3 367.453 2.880 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)OCCC[NH+]3CCCC3)cc2)CC1 ZINC000800155483 1007185669 /nfs/dbraw/zinc/18/56/69/1007185669.db2.gz MLTVZJZTSJTKST-UHFFFAOYSA-N 1 3 359.514 2.860 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)c3ccc(F)cc3C)CC2)CC1 ZINC000817286976 1007509839 /nfs/dbraw/zinc/50/98/39/1007509839.db2.gz YVNLUUAMNOCMKS-NRFANRHFSA-N 1 3 363.521 2.660 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)c3ccc(F)cc3C)CC2)CC1 ZINC000817286976 1007509848 /nfs/dbraw/zinc/50/98/48/1007509848.db2.gz YVNLUUAMNOCMKS-NRFANRHFSA-N 1 3 363.521 2.660 20 0 FFADHO C[C@@H](CCCCNC/C(Cl)=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861936 1007544959 /nfs/dbraw/zinc/54/49/59/1007544959.db2.gz IMQSLHCWIFMBCS-NWKCIAFQSA-N 1 3 350.334 2.910 20 0 FFADHO C[C@@H](CCCCNC/C(Cl)=C/Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861936 1007544967 /nfs/dbraw/zinc/54/49/67/1007544967.db2.gz IMQSLHCWIFMBCS-NWKCIAFQSA-N 1 3 350.334 2.910 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)c1 ZINC001190325160 1007583551 /nfs/dbraw/zinc/58/35/51/1007583551.db2.gz VDGCAJOOQJKFGO-PZJWPPBQSA-N 1 3 371.525 2.604 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)ccc1OC ZINC000775381603 1007607134 /nfs/dbraw/zinc/60/71/34/1007607134.db2.gz TWCJIYXNGVHTAD-ROUUACIJSA-N 1 3 363.546 2.908 20 0 FFADHO [NH3+]CCCCN1CCN([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170870095 1007608582 /nfs/dbraw/zinc/60/85/82/1007608582.db2.gz VLOXSZXUEPNTTI-GOSISDBHSA-N 1 3 366.347 2.663 20 0 FFADHO Cc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001170870809 1007630659 /nfs/dbraw/zinc/63/06/59/1007630659.db2.gz JSRDHBDIFUADCO-CKEIUWERSA-N 1 3 352.548 2.556 20 0 FFADHO Cc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001170870809 1007630670 /nfs/dbraw/zinc/63/06/70/1007630670.db2.gz JSRDHBDIFUADCO-CKEIUWERSA-N 1 3 352.548 2.556 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000818539840 1007935982 /nfs/dbraw/zinc/93/59/82/1007935982.db2.gz VSQDMTZKXTZIFA-RBUKOAKNSA-N 1 3 373.497 2.832 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)c2ccc(C)cc2)CC1 ZINC000818958853 1007994756 /nfs/dbraw/zinc/99/47/56/1007994756.db2.gz XVHOXMNOOMKLCU-QHCPKHFHSA-N 1 3 367.537 2.956 20 0 FFADHO Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2CN2CCC(O)CC2)cc1 ZINC000819121796 1008048699 /nfs/dbraw/zinc/04/86/99/1008048699.db2.gz OSJJEVHTJXHTFX-JOCHJYFZSA-N 1 3 354.494 2.775 20 0 FFADHO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000819121518 1008049249 /nfs/dbraw/zinc/04/92/49/1008049249.db2.gz MEYJOCGDNMNTHD-JOCHJYFZSA-N 1 3 354.494 2.775 20 0 FFADHO Cc1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000822380060 1008591038 /nfs/dbraw/zinc/59/10/38/1008591038.db2.gz SPGKEJAYRITBLR-GOSISDBHSA-N 1 3 358.530 2.806 20 0 FFADHO Cc1cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000822380060 1008591042 /nfs/dbraw/zinc/59/10/42/1008591042.db2.gz SPGKEJAYRITBLR-GOSISDBHSA-N 1 3 358.530 2.806 20 0 FFADHO CCOC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886594474 1008763146 /nfs/dbraw/zinc/76/31/46/1008763146.db2.gz NDMJTTDAHNQNJD-YRPNKDGESA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886594474 1008763150 /nfs/dbraw/zinc/76/31/50/1008763150.db2.gz NDMJTTDAHNQNJD-YRPNKDGESA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886594474 1008763162 /nfs/dbraw/zinc/76/31/62/1008763162.db2.gz NDMJTTDAHNQNJD-YRPNKDGESA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886594472 1008763598 /nfs/dbraw/zinc/76/35/98/1008763598.db2.gz NDMJTTDAHNQNJD-MUGJNUQGSA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886594472 1008763608 /nfs/dbraw/zinc/76/36/08/1008763608.db2.gz NDMJTTDAHNQNJD-MUGJNUQGSA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886594472 1008763616 /nfs/dbraw/zinc/76/36/16/1008763616.db2.gz NDMJTTDAHNQNJD-MUGJNUQGSA-N 1 3 357.498 2.860 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000515666131 1009171487 /nfs/dbraw/zinc/17/14/87/1009171487.db2.gz IYTXPUAMRKCPNA-ZWKOTPCHSA-N 1 3 371.868 2.764 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001274041620 1009306607 /nfs/dbraw/zinc/30/66/07/1009306607.db2.gz IKTDBBZPJAOCEL-NRFANRHFSA-N 1 3 360.546 2.951 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1)N1CCCC1 ZINC001180579992 1009734632 /nfs/dbraw/zinc/73/46/32/1009734632.db2.gz UILMRXRRNAGIDL-KOUHRCEDSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1)N1CCCC1 ZINC001180579992 1009734643 /nfs/dbraw/zinc/73/46/43/1009734643.db2.gz UILMRXRRNAGIDL-KOUHRCEDSA-N 1 3 370.541 2.625 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000152155309 1009760988 /nfs/dbraw/zinc/76/09/88/1009760988.db2.gz XLDJRHPEQRZPNE-PXNSSMCTSA-N 1 3 373.545 2.733 20 0 FFADHO C[C@H](NCC1(C[NH+](C)C)CCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862326779 1009791924 /nfs/dbraw/zinc/79/19/24/1009791924.db2.gz UGPKSFUUXYJFFB-IRXDYDNUSA-N 1 3 369.550 2.722 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3CC)cc2F)CC1 ZINC001181996741 1010334014 /nfs/dbraw/zinc/33/40/14/1010334014.db2.gz FBMOMHNFUQJVHH-LJQANCHMSA-N 1 3 362.493 2.781 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3CC)cc2F)CC1 ZINC001181996741 1010334023 /nfs/dbraw/zinc/33/40/23/1010334023.db2.gz FBMOMHNFUQJVHH-LJQANCHMSA-N 1 3 362.493 2.781 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1sccc1Cl ZINC001093824010 1010595004 /nfs/dbraw/zinc/59/50/04/1010595004.db2.gz CKFWTRUEGGTHBR-SUYBPPKGSA-N 1 3 369.962 2.926 20 0 FFADHO CC(C)c1ocnc1CNC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001093839516 1010610601 /nfs/dbraw/zinc/61/06/01/1010610601.db2.gz RDLBHGFQFYPQJD-NUJGCVRESA-N 1 3 364.534 2.568 20 0 FFADHO Cc1nsc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001094021009 1010787197 /nfs/dbraw/zinc/78/71/97/1010787197.db2.gz RZPXAGISRKFGSO-MZMPZRCHSA-N 1 3 366.575 2.530 20 0 FFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001094042415 1010805090 /nfs/dbraw/zinc/80/50/90/1010805090.db2.gz UCXXHIZYUQIUKH-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)[C@H](C)C1)N(C)C ZINC001094049296 1010808181 /nfs/dbraw/zinc/80/81/81/1010808181.db2.gz QABMNKDIFLYLLF-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000866415223 1010990483 /nfs/dbraw/zinc/99/04/83/1010990483.db2.gz XXWZWASXCRCIFR-XSDIEEQYSA-N 1 3 357.542 2.617 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2 ZINC001094430430 1011115038 /nfs/dbraw/zinc/11/50/38/1011115038.db2.gz PPFWTCSBWLNCKL-KCZVDYSFSA-N 1 3 370.541 2.817 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2 ZINC001094430430 1011115041 /nfs/dbraw/zinc/11/50/41/1011115041.db2.gz PPFWTCSBWLNCKL-KCZVDYSFSA-N 1 3 370.541 2.817 20 0 FFADHO CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)N1CCOCC1 ZINC000716628195 1011218171 /nfs/dbraw/zinc/21/81/71/1011218171.db2.gz VNGOBWGZDGQOTF-ACRUOGEOSA-N 1 3 357.542 2.740 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCCCO2)CCCC1 ZINC001110862297 1011262997 /nfs/dbraw/zinc/26/29/97/1011262997.db2.gz HYZRSHCXNBQMDJ-MKXGPGLRSA-N 1 3 363.546 2.542 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC)CC2 ZINC001094555598 1011283625 /nfs/dbraw/zinc/28/36/25/1011283625.db2.gz DONGINLXUGLZAR-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC)CC2 ZINC001094555598 1011283638 /nfs/dbraw/zinc/28/36/38/1011283638.db2.gz DONGINLXUGLZAR-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3conc3Cc3ccccc3)C2)CC1 ZINC000645155164 1011359481 /nfs/dbraw/zinc/35/94/81/1011359481.db2.gz GZIODFOAQDHSTN-LJQANCHMSA-N 1 3 354.498 2.524 20 0 FFADHO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171640331 1011423065 /nfs/dbraw/zinc/42/30/65/1011423065.db2.gz CORHQUCJEJXGFH-QGZVFWFLSA-N 1 3 353.551 2.597 20 0 FFADHO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171640331 1011423070 /nfs/dbraw/zinc/42/30/70/1011423070.db2.gz CORHQUCJEJXGFH-QGZVFWFLSA-N 1 3 353.551 2.597 20 0 FFADHO CN1C(C)(C)CC([NH+]2CCC(OCC(=O)N3CCCC3)CC2)CC1(C)C ZINC001171641100 1011424252 /nfs/dbraw/zinc/42/42/52/1011424252.db2.gz MTXCMAFBSDDNGQ-UHFFFAOYSA-N 1 3 365.562 2.741 20 0 FFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCC[C@H]2CCOC2)CC1 ZINC000645829419 1011607488 /nfs/dbraw/zinc/60/74/88/1011607488.db2.gz BESZDULHYQNUCT-IBGZPJMESA-N 1 3 361.530 2.566 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCc3ncc(CN4CCCCC4)n3CC1)C2 ZINC001172116629 1011647222 /nfs/dbraw/zinc/64/72/22/1011647222.db2.gz LWUSUJBSSKGPBR-PMOLBWCYSA-N 1 3 371.573 2.742 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCc3ncc(CN4CCCCC4)n3CC1)C2 ZINC001172116629 1011647232 /nfs/dbraw/zinc/64/72/32/1011647232.db2.gz LWUSUJBSSKGPBR-PMOLBWCYSA-N 1 3 371.573 2.742 20 0 FFADHO C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)C2)C1 ZINC001274820909 1011684654 /nfs/dbraw/zinc/68/46/54/1011684654.db2.gz ZXUFYOBASPIKLL-KRWDZBQOSA-N 1 3 361.917 2.716 20 0 FFADHO C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)C2)C1 ZINC001274820909 1011684662 /nfs/dbraw/zinc/68/46/62/1011684662.db2.gz ZXUFYOBASPIKLL-KRWDZBQOSA-N 1 3 361.917 2.716 20 0 FFADHO COCCC[NH+]1CCC(NC2(c3cccc(OC)c3)CCOCC2)CC1 ZINC001172249355 1011720404 /nfs/dbraw/zinc/72/04/04/1011720404.db2.gz CMAQJZKVOWXSIF-UHFFFAOYSA-N 1 3 362.514 2.791 20 0 FFADHO COCCCN1CCC([NH2+]Cc2cc(F)c(OCCOC)c(F)c2)CC1 ZINC001172249047 1011720807 /nfs/dbraw/zinc/72/08/07/1011720807.db2.gz UTSXCUPFNCRJPA-UHFFFAOYSA-N 1 3 372.456 2.581 20 0 FFADHO COCCCN1CCC([N@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001172250763 1011721956 /nfs/dbraw/zinc/72/19/56/1011721956.db2.gz HMBPYTNYUXIKQF-SZPZYZBQSA-N 1 3 371.569 2.860 20 0 FFADHO COCCCN1CCC([N@@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001172250763 1011721971 /nfs/dbraw/zinc/72/19/71/1011721971.db2.gz HMBPYTNYUXIKQF-SZPZYZBQSA-N 1 3 371.569 2.860 20 0 FFADHO COCCCN1CCC([NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001172250764 1011724940 /nfs/dbraw/zinc/72/49/40/1011724940.db2.gz HMBPYTNYUXIKQF-VXKWHMMOSA-N 1 3 371.569 2.860 20 0 FFADHO NC(=O)C1CC[NH+](C2CCN([C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172569353 1011866464 /nfs/dbraw/zinc/86/64/64/1011866464.db2.gz SMNLSXIPZCIAMC-CTNGQTDRSA-N 1 3 355.526 2.984 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ncsc4C3)cc2)CC1 ZINC001173124410 1012263745 /nfs/dbraw/zinc/26/37/45/1012263745.db2.gz ORMHAKUQXPGXDG-IBGZPJMESA-N 1 3 370.566 2.928 20 0 FFADHO Cc1ccc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1F ZINC001275314706 1012274026 /nfs/dbraw/zinc/27/40/26/1012274026.db2.gz ITRVVCAYALLOAT-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)N1CCC(Cc2ccccc2)CC1 ZINC000647055362 1012357274 /nfs/dbraw/zinc/35/72/74/1012357274.db2.gz WSDOLZCRUTUABX-PXNSSMCTSA-N 1 3 355.526 2.588 20 0 FFADHO Cc1ccccc1-n1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000647177270 1012401204 /nfs/dbraw/zinc/40/12/04/1012401204.db2.gz RUYKEHVNOKUYDM-UHFFFAOYSA-N 1 3 367.541 2.829 20 0 FFADHO CCSC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001173288654 1012434540 /nfs/dbraw/zinc/43/45/40/1012434540.db2.gz XKXDHYHKFOTRSL-SJLPKXTDSA-N 1 3 363.571 2.533 20 0 FFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(C(F)F)c1 ZINC001275463290 1012493865 /nfs/dbraw/zinc/49/38/65/1012493865.db2.gz CYBMXCNRZGVWCE-IAGOWNOFSA-N 1 3 351.441 2.751 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978570 1012654408 /nfs/dbraw/zinc/65/44/08/1012654408.db2.gz UYFLQYWBVPQFQW-SESVDKBCSA-N 1 3 357.542 2.754 20 0 FFADHO CCOC(=O)[C@H]1CC12CCC([NH+](CCCN(C)C)CCCN(C)C)CC2 ZINC001173615795 1012836381 /nfs/dbraw/zinc/83/63/81/1012836381.db2.gz ADDXOMHCSOPCHF-OBXNSHGQSA-N 1 3 367.578 2.704 20 0 FFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001275777277 1012997829 /nfs/dbraw/zinc/99/78/29/1012997829.db2.gz KDSGVHPPSCFVTK-QBUWPKIASA-N 1 3 359.489 2.779 20 0 FFADHO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000925437732 1017739313 /nfs/dbraw/zinc/73/93/13/1017739313.db2.gz FMILHOCRIKYHEC-NHCUHLMSSA-N 1 3 373.541 2.663 20 0 FFADHO COc1ncc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cc1Cl ZINC000925817208 1017860279 /nfs/dbraw/zinc/86/02/79/1017860279.db2.gz NOJWXYIDKDGXEA-HNNXBMFYSA-N 1 3 374.916 3.000 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3C[NH2+]C)c(C)c2)CC1 ZINC000925915398 1017899805 /nfs/dbraw/zinc/89/98/05/1017899805.db2.gz LSAUCQOOAIEUNT-IBGZPJMESA-N 1 3 373.545 2.743 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C[NH3+])[C@@H](C)C3)c(C)c2)CC1 ZINC000925916571 1017901729 /nfs/dbraw/zinc/90/17/29/1017901729.db2.gz SCZIUOFPZYHWTG-ZWKOTPCHSA-N 1 3 373.545 2.586 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)C1 ZINC001097853845 1018030400 /nfs/dbraw/zinc/03/04/00/1018030400.db2.gz PWYKBZDJNIPJHF-PDOICOKGSA-N 1 3 351.510 2.721 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC2)C1 ZINC001097853845 1018030415 /nfs/dbraw/zinc/03/04/15/1018030415.db2.gz PWYKBZDJNIPJHF-PDOICOKGSA-N 1 3 351.510 2.721 20 0 FFADHO Cc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc(N)n1 ZINC000749101649 1018053872 /nfs/dbraw/zinc/05/38/72/1018053872.db2.gz FLMYWXCWDCTCAT-UHFFFAOYSA-N 1 3 355.486 2.850 20 0 FFADHO O=C([C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052992278 1018150910 /nfs/dbraw/zinc/15/09/10/1018150910.db2.gz FRJDKGCQFOUCPU-LNRXMEIDSA-N 1 3 371.569 2.972 20 0 FFADHO O=C([C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052992278 1018150914 /nfs/dbraw/zinc/15/09/14/1018150914.db2.gz FRJDKGCQFOUCPU-LNRXMEIDSA-N 1 3 371.569 2.972 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H](C)c3cccc4c3OCO4)C2)[C@H]1C(C)C ZINC000926877168 1018279111 /nfs/dbraw/zinc/27/91/11/1018279111.db2.gz AITDSDYZGAQLFB-UULNXAQQSA-N 1 3 360.498 2.936 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@@H](C)c3cccc4c3OCO4)C2)[C@H]1C(C)C ZINC000926877168 1018279118 /nfs/dbraw/zinc/27/91/18/1018279118.db2.gz AITDSDYZGAQLFB-UULNXAQQSA-N 1 3 360.498 2.936 20 0 FFADHO Clc1ccc(-c2ncc(CN3CCNC4(CC[NH2+]CC4)C3)s2)cc1 ZINC001222095055 1032755000 /nfs/dbraw/zinc/75/50/00/1032755000.db2.gz NQXAIAWBGJAMRL-UHFFFAOYSA-N 1 3 362.930 2.991 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000901170769 1018786553 /nfs/dbraw/zinc/78/65/53/1018786553.db2.gz DYDNNUDSKOSSEL-NSISKUIASA-N 1 3 356.514 2.740 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000901170769 1018786561 /nfs/dbraw/zinc/78/65/61/1018786561.db2.gz DYDNNUDSKOSSEL-NSISKUIASA-N 1 3 356.514 2.740 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000929347765 1019377179 /nfs/dbraw/zinc/37/71/79/1019377179.db2.gz KCQCEMXBSDKPTH-HXUWFJFHSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000929347765 1019377197 /nfs/dbraw/zinc/37/71/97/1019377197.db2.gz KCQCEMXBSDKPTH-HXUWFJFHSA-N 1 3 373.545 2.775 20 0 FFADHO c1ccc(Oc2ccc(-c3nnc([C@]45C[NH2+]C[C@H]4CNCC5)o3)cc2)cc1 ZINC001217706007 1032846102 /nfs/dbraw/zinc/84/61/02/1032846102.db2.gz QFDBUGOYOWJJKE-IIBYNOLFSA-N 1 3 362.433 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3ncccc3C)CC2)CC[N@@H+]1C ZINC001045441005 1019967764 /nfs/dbraw/zinc/96/77/64/1019967764.db2.gz UDKACFUEXRVELE-PKOBYXMFSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3ncccc3C)CC2)CC[N@H+]1C ZINC001045441005 1019967769 /nfs/dbraw/zinc/96/77/69/1019967769.db2.gz UDKACFUEXRVELE-PKOBYXMFSA-N 1 3 358.530 2.591 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000827954044 1020043587 /nfs/dbraw/zinc/04/35/87/1020043587.db2.gz CIYMEDXEHYDBIZ-HXUWFJFHSA-N 1 3 355.526 2.865 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c1C ZINC001096350811 1020190475 /nfs/dbraw/zinc/19/04/75/1020190475.db2.gz VAHMWVVFXMYNCX-RNQOJCNYSA-N 1 3 371.525 2.567 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1C ZINC001096350811 1020190483 /nfs/dbraw/zinc/19/04/83/1020190483.db2.gz VAHMWVVFXMYNCX-RNQOJCNYSA-N 1 3 371.525 2.567 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3cccnc3N)cc2)C[C@H](C)O1 ZINC000930864027 1020219054 /nfs/dbraw/zinc/21/90/54/1020219054.db2.gz ZFZVHWLCTCCKMD-CALCHBBNSA-N 1 3 354.498 2.905 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3cccnc3N)cc2)C[C@H](C)O1 ZINC000930864027 1020219061 /nfs/dbraw/zinc/21/90/61/1020219061.db2.gz ZFZVHWLCTCCKMD-CALCHBBNSA-N 1 3 354.498 2.905 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3-n3cccc3)CC2)CC1 ZINC000931217498 1020379217 /nfs/dbraw/zinc/37/92/17/1020379217.db2.gz SAPFWWWJIOAWOE-UHFFFAOYSA-N 1 3 366.509 2.766 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001046330160 1020595178 /nfs/dbraw/zinc/59/51/78/1020595178.db2.gz XDTMLSHAYXJMNJ-CNDZOEFASA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001046330160 1020595180 /nfs/dbraw/zinc/59/51/80/1020595180.db2.gz XDTMLSHAYXJMNJ-CNDZOEFASA-N 1 3 355.526 2.596 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001098217835 1020738506 /nfs/dbraw/zinc/73/85/06/1020738506.db2.gz LJNOWARZIJTEOW-ZXNZYJFHSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098217835 1020738514 /nfs/dbraw/zinc/73/85/14/1020738514.db2.gz LJNOWARZIJTEOW-ZXNZYJFHSA-N 1 3 355.526 2.812 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901004904 1020779778 /nfs/dbraw/zinc/77/97/78/1020779778.db2.gz YSFZMSRAXDKEMT-LEWJYISDSA-N 1 3 371.525 2.846 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901004904 1020779786 /nfs/dbraw/zinc/77/97/86/1020779786.db2.gz YSFZMSRAXDKEMT-LEWJYISDSA-N 1 3 371.525 2.846 20 0 FFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CCC4(CC3)OCCO4)CC2)C1 ZINC000903374521 1020811941 /nfs/dbraw/zinc/81/19/41/1020811941.db2.gz KLNKEEDTVGCXTR-MJGOQNOKSA-N 1 3 366.546 2.667 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C3CC3)cc2)C1 ZINC001098394746 1020870402 /nfs/dbraw/zinc/87/04/02/1020870402.db2.gz RAPOABPWMIBYFI-BQJUDKOJSA-N 1 3 353.510 2.737 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(C3CC3)cc2)C1 ZINC001098394746 1020870409 /nfs/dbraw/zinc/87/04/09/1020870409.db2.gz RAPOABPWMIBYFI-BQJUDKOJSA-N 1 3 353.510 2.737 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001098844775 1021230907 /nfs/dbraw/zinc/23/09/07/1021230907.db2.gz HYCDNEHEXBGHCY-BUBGKSFDSA-N 1 3 373.516 2.945 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098844775 1021230913 /nfs/dbraw/zinc/23/09/13/1021230913.db2.gz HYCDNEHEXBGHCY-BUBGKSFDSA-N 1 3 373.516 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cncc(C)c2)C3)CC[N@@H+]1C ZINC001098846803 1021232041 /nfs/dbraw/zinc/23/20/41/1021232041.db2.gz STDAIPGHVPDQLE-KEZQHZCBSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cncc(C)c2)C3)CC[N@H+]1C ZINC001098846803 1021232050 /nfs/dbraw/zinc/23/20/50/1021232050.db2.gz STDAIPGHVPDQLE-KEZQHZCBSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cnccc2C)C3)CC[N@@H+]1C ZINC001098846625 1021232331 /nfs/dbraw/zinc/23/23/31/1021232331.db2.gz OJDKFHZXKWNHOU-KEZQHZCBSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cnccc2C)C3)CC[N@H+]1C ZINC001098846625 1021232338 /nfs/dbraw/zinc/23/23/38/1021232338.db2.gz OJDKFHZXKWNHOU-KEZQHZCBSA-N 1 3 370.541 2.591 20 0 FFADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](C/C=C/Cl)C2)c1ccn(-c2ccncc2)n1 ZINC001098938900 1021442347 /nfs/dbraw/zinc/44/23/47/1021442347.db2.gz JRLMZXQCJZWSEH-ZIDLXSLLSA-N 1 3 371.872 2.604 20 0 FFADHO O=C(N[C@]12CCC[C@H]1C[N@H+](C/C=C/Cl)C2)c1ccn(-c2ccncc2)n1 ZINC001098938900 1021442356 /nfs/dbraw/zinc/44/23/56/1021442356.db2.gz JRLMZXQCJZWSEH-ZIDLXSLLSA-N 1 3 371.872 2.604 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218101465 1032993983 /nfs/dbraw/zinc/99/39/83/1032993983.db2.gz QFBYXTKZWUPMJP-UEIMZRGPSA-N 1 3 363.546 2.517 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218101465 1032993996 /nfs/dbraw/zinc/99/39/96/1032993996.db2.gz QFBYXTKZWUPMJP-UEIMZRGPSA-N 1 3 363.546 2.517 20 0 FFADHO CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001111097171 1021743008 /nfs/dbraw/zinc/74/30/08/1021743008.db2.gz NSOOYDRNOVGSBM-WTGUMLROSA-N 1 3 365.562 2.788 20 0 FFADHO CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001111097171 1021743023 /nfs/dbraw/zinc/74/30/23/1021743023.db2.gz NSOOYDRNOVGSBM-WTGUMLROSA-N 1 3 365.562 2.788 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC001117965339 1021995058 /nfs/dbraw/zinc/99/50/58/1021995058.db2.gz RDOXSADULAIQBE-ICSRJNTNSA-N 1 3 370.541 2.825 20 0 FFADHO CC(C)C[C@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH2+][C@H](C)c1ccccc1 ZINC000829236437 1033056640 /nfs/dbraw/zinc/05/66/40/1033056640.db2.gz KSIAKQFXWKJUME-NVXWUHKLSA-N 1 3 369.513 2.551 20 0 FFADHO Cc1cncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C2(N(C)C)CCC2)C3)c1 ZINC001099447579 1022541003 /nfs/dbraw/zinc/54/10/03/1022541003.db2.gz HILHGHXWJNHYLC-FPOVZHCZSA-N 1 3 370.541 2.593 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](CC(C)(C)C)C2)C1=O ZINC001276374550 1022562950 /nfs/dbraw/zinc/56/29/50/1022562950.db2.gz QUZNWBVGXPQUBZ-KNQAVFIVSA-N 1 3 357.542 2.912 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](CC(C)(C)C)C2)C1=O ZINC001276374550 1022562959 /nfs/dbraw/zinc/56/29/59/1022562959.db2.gz QUZNWBVGXPQUBZ-KNQAVFIVSA-N 1 3 357.542 2.912 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCc2ccccc2C)CC[N@@H+]1C ZINC001038273057 1022648537 /nfs/dbraw/zinc/64/85/37/1022648537.db2.gz NANSWJPMKAIOPY-QHAWAJNXSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCc2ccccc2C)CC[N@H+]1C ZINC001038273057 1022648542 /nfs/dbraw/zinc/64/85/42/1022648542.db2.gz NANSWJPMKAIOPY-QHAWAJNXSA-N 1 3 357.542 2.848 20 0 FFADHO [NH3+][C@H](CC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21)c1ccccc1 ZINC001122249908 1023146199 /nfs/dbraw/zinc/14/61/99/1023146199.db2.gz UBSHZNXLNFNLKE-CMKODMSKSA-N 1 3 365.477 2.585 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000948380972 1023242612 /nfs/dbraw/zinc/24/26/12/1023242612.db2.gz ANWNSRVKYZKXSN-SLFFLAALSA-N 1 3 358.530 2.625 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCCN(Cc3cccnc3)CC2)CC[N@H+]1C ZINC000948380972 1023242623 /nfs/dbraw/zinc/24/26/23/1023242623.db2.gz ANWNSRVKYZKXSN-SLFFLAALSA-N 1 3 358.530 2.625 20 0 FFADHO Cc1ccncc1CN1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385027 1023245730 /nfs/dbraw/zinc/24/57/30/1023245730.db2.gz HKULQQNQQSKKDR-MISYRCLQSA-N 1 3 358.530 2.543 20 0 FFADHO Cc1ccncc1CN1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385027 1023245737 /nfs/dbraw/zinc/24/57/37/1023245737.db2.gz HKULQQNQQSKKDR-MISYRCLQSA-N 1 3 358.530 2.543 20 0 FFADHO O=C(CC[NH2+][C@H]1C[C@@H](N2CCCC2)C1)Nc1ccc(Br)cc1 ZINC001120520051 1023348459 /nfs/dbraw/zinc/34/84/59/1023348459.db2.gz RHRBWCKGUWPEOI-IYBDPMFKSA-N 1 3 366.303 2.994 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)N(C)C)cc1 ZINC001120535480 1023353288 /nfs/dbraw/zinc/35/32/88/1023353288.db2.gz DYHMPFIEVCOUSO-MJGOQNOKSA-N 1 3 362.543 2.549 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2c3ccccc3CCN2CCC2CC2)CC[N@@H+]1C ZINC000948923948 1023414505 /nfs/dbraw/zinc/41/45/05/1023414505.db2.gz YEHGIEUBRCMWDD-BSIFCXSSSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2c3ccccc3CCN2CCC2CC2)CC[N@H+]1C ZINC000948923948 1023414507 /nfs/dbraw/zinc/41/45/07/1023414507.db2.gz YEHGIEUBRCMWDD-BSIFCXSSSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H](NC(=O)N(CCc1ccccc1)CCN(C)C)C(C)(C)C[NH+](C)C ZINC000754378212 1023462691 /nfs/dbraw/zinc/46/26/91/1023462691.db2.gz NIVACFTVHDPDLC-GOSISDBHSA-N 1 3 362.562 2.779 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(OC)cc1 ZINC001111307923 1023767116 /nfs/dbraw/zinc/76/71/16/1023767116.db2.gz DVRQLPYUSNOFCO-NRSPTQNISA-N 1 3 373.541 2.691 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(OC)cc1 ZINC001111307923 1023767124 /nfs/dbraw/zinc/76/71/24/1023767124.db2.gz DVRQLPYUSNOFCO-NRSPTQNISA-N 1 3 373.541 2.691 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000758502290 1024144851 /nfs/dbraw/zinc/14/48/51/1024144851.db2.gz ADNHUYZMOBZNOB-GOSISDBHSA-N 1 3 373.545 2.824 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001101284118 1024322328 /nfs/dbraw/zinc/32/23/28/1024322328.db2.gz OFIJLEBMWGRMEG-UTKZUKDTSA-N 1 3 361.505 2.836 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001101284118 1024322340 /nfs/dbraw/zinc/32/23/40/1024322340.db2.gz OFIJLEBMWGRMEG-UTKZUKDTSA-N 1 3 361.505 2.836 20 0 FFADHO [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1)C1CCCC1 ZINC001122123121 1024359739 /nfs/dbraw/zinc/35/97/39/1024359739.db2.gz NTOOJILJLOHFOF-UZLBHIALSA-N 1 3 371.525 2.928 20 0 FFADHO O=C(N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccc2c(c1)CNC2 ZINC001122138297 1024375797 /nfs/dbraw/zinc/37/57/97/1024375797.db2.gz FTWPODLSDBPECY-LJQANCHMSA-N 1 3 363.461 2.666 20 0 FFADHO NC1(C(=O)Nc2ccc3[nH]c(C4CC[NH2+]CC4)nc3c2)CC2(CCC2)C1 ZINC001122140166 1024377913 /nfs/dbraw/zinc/37/79/13/1024377913.db2.gz KHXKTTZPCOXOKV-UHFFFAOYSA-N 1 3 353.470 2.630 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001101440732 1024749320 /nfs/dbraw/zinc/74/93/20/1024749320.db2.gz SKSYZNZNEAXDTG-IRLDBZIGSA-N 1 3 357.542 2.741 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001101440732 1024749325 /nfs/dbraw/zinc/74/93/25/1024749325.db2.gz SKSYZNZNEAXDTG-IRLDBZIGSA-N 1 3 357.542 2.741 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1 ZINC001101476349 1024839372 /nfs/dbraw/zinc/83/93/72/1024839372.db2.gz OQJPKRZIHUOATP-IRLDBZIGSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1 ZINC001101476349 1024839392 /nfs/dbraw/zinc/83/93/92/1024839392.db2.gz OQJPKRZIHUOATP-IRLDBZIGSA-N 1 3 357.542 2.924 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045027 1025346964 /nfs/dbraw/zinc/34/69/64/1025346964.db2.gz OFKOWZLXYVNBLV-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045027 1025346977 /nfs/dbraw/zinc/34/69/77/1025346977.db2.gz OFKOWZLXYVNBLV-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccnc(Cl)c1OC(F)(F)F ZINC001218680536 1033278906 /nfs/dbraw/zinc/27/89/06/1033278906.db2.gz BWVZTMSIMUFPPY-VIFPVBQESA-N 1 3 368.787 2.631 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C)N(C)C ZINC001102066719 1025387417 /nfs/dbraw/zinc/38/74/17/1025387417.db2.gz UHWFIOQFPJGEIT-NRSPTQNISA-N 1 3 359.558 2.890 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C)N(C)C ZINC001102066719 1025387428 /nfs/dbraw/zinc/38/74/28/1025387428.db2.gz UHWFIOQFPJGEIT-NRSPTQNISA-N 1 3 359.558 2.890 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C ZINC001102104279 1025429754 /nfs/dbraw/zinc/42/97/54/1025429754.db2.gz NTQMWKJERWKIRP-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C ZINC001102104279 1025429759 /nfs/dbraw/zinc/42/97/59/1025429759.db2.gz NTQMWKJERWKIRP-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)COC(=O)N1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000089144835 1025485585 /nfs/dbraw/zinc/48/55/85/1025485585.db2.gz AQWUKCWHIMTXEW-ROUUACIJSA-N 1 3 369.550 2.722 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC([NH2+]C(C)C)CC3)C2)cc1 ZINC000637723256 1025549508 /nfs/dbraw/zinc/54/95/08/1025549508.db2.gz MVSSOINLQWKARB-HXUWFJFHSA-N 1 3 358.530 2.741 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102216223 1025598779 /nfs/dbraw/zinc/59/87/79/1025598779.db2.gz HIDYTJLZTWBJOJ-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102216223 1025598784 /nfs/dbraw/zinc/59/87/84/1025598784.db2.gz HIDYTJLZTWBJOJ-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO CCc1ccccc1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001141224895 1025637502 /nfs/dbraw/zinc/63/75/02/1025637502.db2.gz QPKPBNMNHKIPQJ-UHFFFAOYSA-N 1 3 353.510 2.573 20 0 FFADHO CCc1ccccc1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001141224895 1025637510 /nfs/dbraw/zinc/63/75/10/1025637510.db2.gz QPKPBNMNHKIPQJ-UHFFFAOYSA-N 1 3 353.510 2.573 20 0 FFADHO CN1CCN(C(C)(C)C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638349761 1025797719 /nfs/dbraw/zinc/79/77/19/1025797719.db2.gz VAIXAHREWOTZSY-IRLDBZIGSA-N 1 3 370.585 2.970 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638364400 1025804501 /nfs/dbraw/zinc/80/45/01/1025804501.db2.gz ZKNVVLIOWNVJPC-UNWVZKJWSA-N 1 3 370.585 2.970 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366463 1025818893 /nfs/dbraw/zinc/81/88/93/1025818893.db2.gz GDQQLMCIOFDLGF-FUHIMQAGSA-N 1 3 361.505 2.825 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366463 1025818909 /nfs/dbraw/zinc/81/89/09/1025818909.db2.gz GDQQLMCIOFDLGF-FUHIMQAGSA-N 1 3 361.505 2.825 20 0 FFADHO CC(C)O[C@@H](CNC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000638523319 1025873830 /nfs/dbraw/zinc/87/38/30/1025873830.db2.gz GRJHSTQCPQRRLL-FQEVSTJZSA-N 1 3 361.530 2.685 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430576 1025964028 /nfs/dbraw/zinc/96/40/28/1025964028.db2.gz XCQWOCZJQZEWKD-IXDOHACOSA-N 1 3 364.559 2.592 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC000639272439 1026260590 /nfs/dbraw/zinc/26/05/90/1026260590.db2.gz YTQHIZDAVAAXBI-ONTIZHBOSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@H](O)[C@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC000639272439 1026260600 /nfs/dbraw/zinc/26/06/00/1026260600.db2.gz YTQHIZDAVAAXBI-ONTIZHBOSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(CN2CC[C@H](O)[C@H](CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639272439 1026260610 /nfs/dbraw/zinc/26/06/10/1026260610.db2.gz YTQHIZDAVAAXBI-ONTIZHBOSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(CN2CC[C@H](O)[C@H](CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639272439 1026260613 /nfs/dbraw/zinc/26/06/13/1026260613.db2.gz YTQHIZDAVAAXBI-ONTIZHBOSA-N 1 3 360.542 2.600 20 0 FFADHO C[NH+](C)Cc1ccnc(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1 ZINC000640577327 1026810763 /nfs/dbraw/zinc/81/07/63/1026810763.db2.gz QNZYEGDPRMGEIZ-SFHVURJKSA-N 1 3 353.470 2.539 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103086780 1026948644 /nfs/dbraw/zinc/94/86/44/1026948644.db2.gz QNUKFNYOSSQHMO-MDYRTPRTSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103086780 1026948650 /nfs/dbraw/zinc/94/86/50/1026948650.db2.gz QNUKFNYOSSQHMO-MDYRTPRTSA-N 1 3 361.505 2.740 20 0 FFADHO CCOC1CC(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001103158107 1027013096 /nfs/dbraw/zinc/01/30/96/1027013096.db2.gz UHDFFOIHKJSTIZ-TXQGORRRSA-N 1 3 367.578 2.606 20 0 FFADHO CCOC1CC(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N(C)CC)C2)C1 ZINC001103158107 1027013098 /nfs/dbraw/zinc/01/30/98/1027013098.db2.gz UHDFFOIHKJSTIZ-TXQGORRRSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1C ZINC001103158172 1027015220 /nfs/dbraw/zinc/01/52/20/1027015220.db2.gz XMZAZEDJRBIETF-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1C ZINC001103158172 1027015228 /nfs/dbraw/zinc/01/52/28/1027015228.db2.gz XMZAZEDJRBIETF-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO CN1CCC(N(c2cncc(OCC3CCCC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158591927 1027070538 /nfs/dbraw/zinc/07/05/38/1027070538.db2.gz ZLERKKRJCJMWLK-UHFFFAOYSA-N 1 3 373.545 2.698 20 0 FFADHO CN1CCC(N(c2nccnc2Oc2ccccc2)C2CC[NH2+]CC2)CC1 ZINC001158588843 1027070888 /nfs/dbraw/zinc/07/08/88/1027070888.db2.gz GYESAHMHYBVELA-UHFFFAOYSA-N 1 3 367.497 2.922 20 0 FFADHO C[C@@H]1C[N@H+](CCCF)C[C@H]1CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001103435835 1027478593 /nfs/dbraw/zinc/47/85/93/1027478593.db2.gz BFPQYYWXPQKDMZ-GPMSIDNRSA-N 1 3 359.505 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](CCCF)C[C@H]1CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001103435835 1027478610 /nfs/dbraw/zinc/47/86/10/1027478610.db2.gz BFPQYYWXPQKDMZ-GPMSIDNRSA-N 1 3 359.505 2.633 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001103436147 1027481743 /nfs/dbraw/zinc/48/17/43/1027481743.db2.gz MPOAHFGZOBHMKW-SFHLNBCPSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001103436147 1027481752 /nfs/dbraw/zinc/48/17/52/1027481752.db2.gz MPOAHFGZOBHMKW-SFHLNBCPSA-N 1 3 357.542 2.911 20 0 FFADHO c1cc(NC2=CC[C@H](N3CCOCC3)CC2)cc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160217803 1027640084 /nfs/dbraw/zinc/64/00/84/1027640084.db2.gz OTFSZJFJHKQDGU-PZJWPPBQSA-N 1 3 357.498 2.998 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001160454751 1027714571 /nfs/dbraw/zinc/71/45/71/1027714571.db2.gz SVHXUXVIRKDLLL-MRXNPFEDSA-N 1 3 357.420 2.896 20 0 FFADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160728423 1027833922 /nfs/dbraw/zinc/83/39/22/1027833922.db2.gz DBRBTWDJQNADLP-AOIWGVFYSA-N 1 3 351.535 2.650 20 0 FFADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160728423 1027833935 /nfs/dbraw/zinc/83/39/35/1027833935.db2.gz DBRBTWDJQNADLP-AOIWGVFYSA-N 1 3 351.535 2.650 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001160885973 1027910023 /nfs/dbraw/zinc/91/00/23/1027910023.db2.gz DDODQIWEKUYMPN-INIZCTEOSA-N 1 3 373.419 2.748 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103664807 1027925805 /nfs/dbraw/zinc/92/58/05/1027925805.db2.gz XGZRGYHYTHPQPM-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001103664807 1027925822 /nfs/dbraw/zinc/92/58/22/1027925822.db2.gz XGZRGYHYTHPQPM-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001160956707 1027947515 /nfs/dbraw/zinc/94/75/15/1027947515.db2.gz MHLPVNQYNPICLJ-JQHSSLGASA-N 1 3 365.468 2.600 20 0 FFADHO CN(CCN(C)C(=O)[C@@]1([NH3+])CCc2cc(F)ccc2C1)Cc1ccccc1 ZINC001161160647 1028041248 /nfs/dbraw/zinc/04/12/48/1028041248.db2.gz CWMGBXBTPIVNAC-JOCHJYFZSA-N 1 3 369.484 2.602 20 0 FFADHO CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001161228507 1028080233 /nfs/dbraw/zinc/08/02/33/1028080233.db2.gz XFHLDBIAOPQXMN-OALUTQOASA-N 1 3 361.530 2.992 20 0 FFADHO CCCc1nc2cc(C(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)cc(C)c2[nH]1 ZINC001161453009 1028184192 /nfs/dbraw/zinc/18/41/92/1028184192.db2.gz WMKVCGJVCGJOHU-KRWDZBQOSA-N 1 3 371.529 2.580 20 0 FFADHO CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)cc1 ZINC001161570130 1028234305 /nfs/dbraw/zinc/23/43/05/1028234305.db2.gz CMYYMSSXTGLODC-MJGOQNOKSA-N 1 3 359.514 2.507 20 0 FFADHO O=C(c1csc([C@@H]2CCCN2)n1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161597930 1028246114 /nfs/dbraw/zinc/24/61/14/1028246114.db2.gz WNAQSTRTISWMBJ-INIZCTEOSA-N 1 3 368.506 2.802 20 0 FFADHO COc1cccc([C@H](N)CC(=O)N2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001161596026 1028246868 /nfs/dbraw/zinc/24/68/68/1028246868.db2.gz XCOXNVPAIQRMJN-HXUWFJFHSA-N 1 3 365.477 2.706 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2ccc3ccccc3c2)CCCO1 ZINC000644632254 1028596496 /nfs/dbraw/zinc/59/64/96/1028596496.db2.gz HTLJUTAFHLSTLX-RXVVDRJESA-N 1 3 372.509 2.670 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc3ccccc3c2)CCCO1 ZINC000644632254 1028596507 /nfs/dbraw/zinc/59/65/07/1028596507.db2.gz HTLJUTAFHLSTLX-RXVVDRJESA-N 1 3 372.509 2.670 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000781952227 1029489143 /nfs/dbraw/zinc/48/91/43/1029489143.db2.gz SPQNFHYUWCKLLZ-UHFFFAOYSA-N 1 3 356.514 2.641 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)c(C)n1 ZINC001111858133 1029628989 /nfs/dbraw/zinc/62/89/89/1029628989.db2.gz PYTMPOSBRRDYJD-FPOVZHCZSA-N 1 3 358.530 2.511 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ncnc4sc5c(c43)CCC5)CC2)CC1 ZINC001157841197 1029674138 /nfs/dbraw/zinc/67/41/38/1029674138.db2.gz AHGINUYLEQXHKE-UHFFFAOYSA-N 1 3 371.554 2.644 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cncc(-c4ccc(F)cc4)n3)CC2)CC1 ZINC001157848565 1029675002 /nfs/dbraw/zinc/67/50/02/1029675002.db2.gz VJBKDVXSFNGODA-UHFFFAOYSA-N 1 3 369.488 2.747 20 0 FFADHO Cc1ccccc1Oc1nc(Cl)ncc1NC(=N)N1CC[NH+](C)CC1 ZINC001157916324 1029685707 /nfs/dbraw/zinc/68/57/07/1029685707.db2.gz TXXSLOUDIZNEAS-UHFFFAOYSA-N 1 3 360.849 2.825 20 0 FFADHO C[C@@H]1CCc2c(sc3ncnc(N4CCC([N@@H+]5CC[C@@H](N)C5)CC4)c23)C1 ZINC001158261688 1029776138 /nfs/dbraw/zinc/77/61/38/1029776138.db2.gz OQXSMIWSBHOKNV-ZIAGYGMSSA-N 1 3 371.554 2.818 20 0 FFADHO C[C@@H]1CCc2c(sc3ncnc(N4CCC([N@H+]5CC[C@@H](N)C5)CC4)c23)C1 ZINC001158261688 1029776139 /nfs/dbraw/zinc/77/61/39/1029776139.db2.gz OQXSMIWSBHOKNV-ZIAGYGMSSA-N 1 3 371.554 2.818 20 0 FFADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(Cl)nc2c1CCNC2 ZINC001158292209 1029788329 /nfs/dbraw/zinc/78/83/29/1029788329.db2.gz HTAGNPYWPWYQHX-UHFFFAOYSA-N 1 3 371.872 2.538 20 0 FFADHO N[C@@H](C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC001158335845 1029800737 /nfs/dbraw/zinc/80/07/37/1029800737.db2.gz YTWFRAZJIASUBZ-RLORLCPJSA-N 1 3 365.521 2.628 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC001158411549 1029823652 /nfs/dbraw/zinc/82/36/52/1029823652.db2.gz FLHFCTCASSBGCN-RBUKOAKNSA-N 1 3 370.497 2.668 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cnc(-c3ccccc3)o2)CC[N@H+]1C ZINC001158411549 1029823656 /nfs/dbraw/zinc/82/36/56/1029823656.db2.gz FLHFCTCASSBGCN-RBUKOAKNSA-N 1 3 370.497 2.668 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cc2)CC1 ZINC000841017815 1029978277 /nfs/dbraw/zinc/97/82/77/1029978277.db2.gz HZHLUDRJNFKPDI-IYARVYRRSA-N 1 3 373.545 2.715 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@@H+]1CCC[C@@H]1C ZINC000783519051 1030134274 /nfs/dbraw/zinc/13/42/74/1030134274.db2.gz UDPGLPFCCZGMKS-HOTGVXAUSA-N 1 3 372.513 2.826 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@H+]1CCC[C@@H]1C ZINC000783519051 1030134277 /nfs/dbraw/zinc/13/42/77/1030134277.db2.gz UDPGLPFCCZGMKS-HOTGVXAUSA-N 1 3 372.513 2.826 20 0 FFADHO C[C@@H](NC(=O)Nc1cccc(OCC[NH3+])c1)[C@@H](c1ccccc1)N(C)C ZINC000841283572 1030155671 /nfs/dbraw/zinc/15/56/71/1030155671.db2.gz YEWYDBJRKPWUAW-BEFAXECRSA-N 1 3 356.470 2.837 20 0 FFADHO C[C@H]1[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)CCN1Cc1ccccc1 ZINC000841287193 1030159204 /nfs/dbraw/zinc/15/92/04/1030159204.db2.gz XBFRVGSFZLDPSN-OXJNMPFZSA-N 1 3 368.481 2.809 20 0 FFADHO COCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396788 1030739220 /nfs/dbraw/zinc/73/92/20/1030739220.db2.gz DZCRJEWCZAIHGT-ICSRJNTNSA-N 1 3 365.562 2.506 20 0 FFADHO C[C@]1(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)CCN(Cc2ccccc2)C1 ZINC000798395403 1031388946 /nfs/dbraw/zinc/38/89/46/1031388946.db2.gz DPKCXPJXTVLFSV-RBBKRZOGSA-N 1 3 351.494 2.585 20 0 FFADHO CN1C[C@@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)[C@H](c2ccccc2)C1 ZINC000843426628 1031397900 /nfs/dbraw/zinc/39/79/00/1031397900.db2.gz DFVHTIDJVPUVQW-MSOLQXFVSA-N 1 3 351.450 2.567 20 0 FFADHO C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C2)CC1 ZINC000799031520 1031618755 /nfs/dbraw/zinc/61/87/55/1031618755.db2.gz AGHBSNQCRZCONW-HXUWFJFHSA-N 1 3 370.541 2.628 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001205325481 1031670269 /nfs/dbraw/zinc/67/02/69/1031670269.db2.gz CAMZRKDRMNBIQS-RBUKOAKNSA-N 1 3 367.484 2.801 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001205325481 1031670275 /nfs/dbraw/zinc/67/02/75/1031670275.db2.gz CAMZRKDRMNBIQS-RBUKOAKNSA-N 1 3 367.484 2.801 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179560 1031683087 /nfs/dbraw/zinc/68/30/87/1031683087.db2.gz OLPVKKZUGQCCGB-QGZVFWFLSA-N 1 3 361.505 2.681 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC/C=C\Cl)C1 ZINC001205449408 1031756033 /nfs/dbraw/zinc/75/60/33/1031756033.db2.gz UOFPKPKFVTWIEK-MEDMHYDHSA-N 1 3 367.896 2.804 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC/C=C\Cl)C1 ZINC001205449408 1031756041 /nfs/dbraw/zinc/75/60/41/1031756041.db2.gz UOFPKPKFVTWIEK-MEDMHYDHSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@H]1CCN(Cc2c[nH]c3ncc(Br)nc23)CC[C@@H]1C[NH3+] ZINC001205654027 1031909376 /nfs/dbraw/zinc/90/93/76/1031909376.db2.gz WGCZBTYZNGUOOM-WDEREUQCSA-N 1 3 352.280 2.527 20 0 FFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218714353 1033297039 /nfs/dbraw/zinc/29/70/39/1033297039.db2.gz XUKIIMINHMLUJD-WBVHZDCISA-N 1 3 366.465 2.846 20 0 FFADHO N[C@@H](CCOCc1ccccc1)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972218 1033434348 /nfs/dbraw/zinc/43/43/48/1033434348.db2.gz KGSSRNASLTWREX-IBGZPJMESA-N 1 3 353.466 2.897 20 0 FFADHO C[C@@H](N)C(=O)N(c1ccccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC001219061758 1033499308 /nfs/dbraw/zinc/49/93/08/1033499308.db2.gz MWXUCVTZARIJAS-MRXNPFEDSA-N 1 3 352.482 2.614 20 0 FFADHO O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)c1ccc2c(c1)CNC2 ZINC001219307324 1033593103 /nfs/dbraw/zinc/59/31/03/1033593103.db2.gz WSUOGUAMMNUUHE-UHFFFAOYSA-N 1 3 355.413 2.812 20 0 FFADHO [NH3+][C@@H](CC1CCCC1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668812 1033742146 /nfs/dbraw/zinc/74/21/46/1033742146.db2.gz AAEODRGNGKXVTD-NRFANRHFSA-N 1 3 357.542 2.965 20 0 FFADHO Cc1cncc(CN2CC[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)C[C@@H]32)c1 ZINC001224222692 1033781971 /nfs/dbraw/zinc/78/19/71/1033781971.db2.gz VROBORLLEAKLDI-RTWAWAEBSA-N 1 3 370.541 2.689 20 0 FFADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219789916 1033820472 /nfs/dbraw/zinc/82/04/72/1033820472.db2.gz AWHIGQOORGUJFQ-QMMLZNLJSA-N 1 3 366.509 2.597 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC001219929592 1033894102 /nfs/dbraw/zinc/89/41/02/1033894102.db2.gz OIOUBNIYRHODFL-INIZCTEOSA-N 1 3 350.894 2.933 20 0 FFADHO CC(C)(C)OC(=O)N1CCN2C[C@H](OCCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001224855737 1034035734 /nfs/dbraw/zinc/03/57/34/1034035734.db2.gz RXLYDKITRRKUMC-ZWKOTPCHSA-N 1 3 367.534 2.573 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001220315759 1034114962 /nfs/dbraw/zinc/11/49/62/1034114962.db2.gz IAEACKYCLWFVCB-ONTIZHBOSA-N 1 3 373.541 2.877 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCCN1C)Cc1ccccc1 ZINC001220616929 1034291543 /nfs/dbraw/zinc/29/15/43/1034291543.db2.gz NKYGFUXWPHNLQT-UXHICEINSA-N 1 3 360.546 2.723 20 0 FFADHO O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220694484 1034342231 /nfs/dbraw/zinc/34/22/31/1034342231.db2.gz MDMCQWKBJWQCGN-YADHBBJMSA-N 1 3 371.484 2.854 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001220751235 1034376850 /nfs/dbraw/zinc/37/68/50/1034376850.db2.gz LXILKWHAXHMTIU-CWXRREDCSA-N 1 3 361.489 2.607 20 0 FFADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220789112 1034398695 /nfs/dbraw/zinc/39/86/95/1034398695.db2.gz JMBYSHIABGRULQ-DOIPELPJSA-N 1 3 364.493 2.732 20 0 FFADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220789114 1034399655 /nfs/dbraw/zinc/39/96/55/1034399655.db2.gz JMBYSHIABGRULQ-UWHLTILDSA-N 1 3 364.493 2.732 20 0 FFADHO COc1cccc([C@H](N)CC(=O)NCC2(CC3CCC3)CC[NH2+]CC2)c1 ZINC001221130230 1034569476 /nfs/dbraw/zinc/56/94/76/1034569476.db2.gz JBLHPNMQNCTSDO-LJQANCHMSA-N 1 3 359.514 2.761 20 0 FFADHO Cc1cnccc1O[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138773858 1034641647 /nfs/dbraw/zinc/64/16/47/1034641647.db2.gz QEAXVIFGQQMEOM-FQEVSTJZSA-N 1 3 355.482 2.984 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221552903 1034868542 /nfs/dbraw/zinc/86/85/42/1034868542.db2.gz JIJQVBUPXVEQME-RTBURBONSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221552903 1034868546 /nfs/dbraw/zinc/86/85/46/1034868546.db2.gz JIJQVBUPXVEQME-RTBURBONSA-N 1 3 365.562 2.600 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](Cc1cc3ccccc3o1)CC2 ZINC001139060449 1034914002 /nfs/dbraw/zinc/91/40/02/1034914002.db2.gz FOHATBICSAQPEX-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC001139060449 1034914005 /nfs/dbraw/zinc/91/40/05/1034914005.db2.gz FOHATBICSAQPEX-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)c1cnc(C)cn1 ZINC001227150612 1034950835 /nfs/dbraw/zinc/95/08/35/1034950835.db2.gz WBTRWMOBKCGCKB-BRWVUGGUSA-N 1 3 361.534 2.593 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)c1cnc(C)cn1 ZINC001227150612 1034950843 /nfs/dbraw/zinc/95/08/43/1034950843.db2.gz WBTRWMOBKCGCKB-BRWVUGGUSA-N 1 3 361.534 2.593 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC001227150585 1034951697 /nfs/dbraw/zinc/95/16/97/1034951697.db2.gz UWZWKWLPRIMRNA-QZTJIDSGSA-N 1 3 353.551 2.550 20 0 FFADHO C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1cncnc1 ZINC001227160868 1034956414 /nfs/dbraw/zinc/95/64/14/1034956414.db2.gz NTZZWANJSADHNM-MRXNPFEDSA-N 1 3 371.529 2.801 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221773879 1035057860 /nfs/dbraw/zinc/05/78/60/1035057860.db2.gz ILEMKFMQHJDNSW-NHCUHLMSSA-N 1 3 355.526 2.550 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848513 1035111446 /nfs/dbraw/zinc/11/14/46/1035111446.db2.gz SHPUSJUVNJHVBD-HSALFYBXSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848513 1035111449 /nfs/dbraw/zinc/11/14/49/1035111449.db2.gz SHPUSJUVNJHVBD-HSALFYBXSA-N 1 3 365.562 2.597 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC001140109588 1035345584 /nfs/dbraw/zinc/34/55/84/1035345584.db2.gz RLKTVBRCPLNMPF-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCOC1)N1CCCC1 ZINC001227900182 1035794613 /nfs/dbraw/zinc/79/46/13/1035794613.db2.gz JMFHAJLYHWVQEX-IPMKNSEASA-N 1 3 365.562 2.695 20 0 FFADHO c1[nH]c2nccnc2c1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001232546881 1035795917 /nfs/dbraw/zinc/79/59/17/1035795917.db2.gz VQWBUIUQPWPZGT-UHFFFAOYSA-N 1 3 362.481 2.793 20 0 FFADHO c1[nH]c2nccnc2c1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001232546881 1035795933 /nfs/dbraw/zinc/79/59/33/1035795933.db2.gz VQWBUIUQPWPZGT-UHFFFAOYSA-N 1 3 362.481 2.793 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)C1 ZINC001228602792 1036198252 /nfs/dbraw/zinc/19/82/52/1036198252.db2.gz LDLUQAKQSLWVKM-XVDZGVRESA-N 1 3 359.917 2.968 20 0 FFADHO CC[NH+]1CCC(CC2CC[NH+](Cc3c([O-])c(C)ncc3CO)CC2)CC1 ZINC001140870989 1036339162 /nfs/dbraw/zinc/33/91/62/1036339162.db2.gz LNGQVBXCRWZIJJ-UHFFFAOYSA-N 1 3 361.530 2.922 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC001228931903 1036414815 /nfs/dbraw/zinc/41/48/15/1036414815.db2.gz GBVSSDOOXKFRNE-GUDVDZBRSA-N 1 3 353.551 2.691 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001228932218 1036415820 /nfs/dbraw/zinc/41/58/20/1036415820.db2.gz KCHBHQKIYPPJPB-GUDVDZBRSA-N 1 3 353.551 2.693 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1F ZINC001229504204 1036710339 /nfs/dbraw/zinc/71/03/39/1036710339.db2.gz QNVAVTGHYGJWAA-IAGOWNOFSA-N 1 3 353.457 2.824 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1F ZINC001229504204 1036710356 /nfs/dbraw/zinc/71/03/56/1036710356.db2.gz QNVAVTGHYGJWAA-IAGOWNOFSA-N 1 3 353.457 2.824 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(Cl)s1 ZINC001229504245 1036712558 /nfs/dbraw/zinc/71/25/58/1036712558.db2.gz RXRIBFRKAUMIMN-ZIAGYGMSSA-N 1 3 358.939 2.655 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnc(Cl)s1 ZINC001229504245 1036712580 /nfs/dbraw/zinc/71/25/80/1036712580.db2.gz RXRIBFRKAUMIMN-ZIAGYGMSSA-N 1 3 358.939 2.655 20 0 FFADHO CC(C)C1=NCCc2ccc(CN3CCOC[C@]4(CCC[NH2+]C4)C3)cc21 ZINC001235022918 1037310317 /nfs/dbraw/zinc/31/03/17/1037310317.db2.gz ROXFUXYSDACWAK-QFIPXVFZSA-N 1 3 355.526 2.890 20 0 FFADHO Cc1cc(C)c2c(c1)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2 ZINC001230863446 1037382957 /nfs/dbraw/zinc/38/29/57/1037382957.db2.gz MGEQMIKRMGLKMI-SFHVURJKSA-N 1 3 360.546 2.643 20 0 FFADHO Cc1cc(C)c2c(c1)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2 ZINC001230863446 1037382968 /nfs/dbraw/zinc/38/29/68/1037382968.db2.gz MGEQMIKRMGLKMI-SFHVURJKSA-N 1 3 360.546 2.643 20 0 FFADHO C[NH+]1CCC(CN2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC1 ZINC001207397522 1037416547 /nfs/dbraw/zinc/41/65/47/1037416547.db2.gz NSKIFSSOQGZFGU-NRFANRHFSA-N 1 3 370.497 2.578 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(F)ccc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235348562 1037494426 /nfs/dbraw/zinc/49/44/26/1037494426.db2.gz CYJWSSHWBZEDMA-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1cccc(Br)c1 ZINC001207505768 1037503456 /nfs/dbraw/zinc/50/34/56/1037503456.db2.gz WWYPDLIOCNPMPT-UHFFFAOYSA-N 1 3 371.319 2.808 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1cccc(Br)c1 ZINC001207505768 1037503469 /nfs/dbraw/zinc/50/34/69/1037503469.db2.gz WWYPDLIOCNPMPT-UHFFFAOYSA-N 1 3 371.319 2.808 20 0 FFADHO c1cc2n(c1C[N@H+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)CCNC2 ZINC001235542443 1037615425 /nfs/dbraw/zinc/61/54/25/1037615425.db2.gz VJRXVMOQBWINCI-UTKZUKDTSA-N 1 3 352.482 2.667 20 0 FFADHO c1cc2n(c1C[N@@H+]1C[C@H]3CCC[C@@]3(COc3ccccn3)C1)CCNC2 ZINC001235542443 1037615478 /nfs/dbraw/zinc/61/54/78/1037615478.db2.gz VJRXVMOQBWINCI-UTKZUKDTSA-N 1 3 352.482 2.667 20 0 FFADHO OCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001235540634 1037616624 /nfs/dbraw/zinc/61/66/24/1037616624.db2.gz BBFOWZFUBFDGAB-RTWAWAEBSA-N 1 3 350.547 2.610 20 0 FFADHO OCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001235540634 1037616630 /nfs/dbraw/zinc/61/66/30/1037616630.db2.gz BBFOWZFUBFDGAB-RTWAWAEBSA-N 1 3 350.547 2.610 20 0 FFADHO [NH3+]CCCCN1CCC[C@]2(CC(C(=O)Nc3cccc(Cl)c3)=NO2)C1 ZINC001235549723 1037618487 /nfs/dbraw/zinc/61/84/87/1037618487.db2.gz ICIGBYFLLIKJMR-SFHVURJKSA-N 1 3 364.877 2.628 20 0 FFADHO CC1(C)[NH2+][C@@H](CCN2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)CO1 ZINC001235627847 1037651487 /nfs/dbraw/zinc/65/14/87/1037651487.db2.gz BYTHWUZCJVAQGQ-PZJWPPBQSA-N 1 3 361.505 2.981 20 0 FFADHO Cc1ccc(N2C[C@@]3(CCN(CC[C@H]4COC(C)(C)[NH2+]4)C3)CC2=O)cc1 ZINC001235645737 1037661199 /nfs/dbraw/zinc/66/11/99/1037661199.db2.gz YQFQOMHFYLSIPA-UWJYYQICSA-N 1 3 357.498 2.538 20 0 FFADHO CN1CCN(Cc2ccccc2N2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC001235672851 1037674545 /nfs/dbraw/zinc/67/45/45/1037674545.db2.gz IQOIRHSDXPHVSY-JOCHJYFZSA-N 1 3 350.510 2.585 20 0 FFADHO COCCCOc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC ZINC001231611287 1037733146 /nfs/dbraw/zinc/73/31/46/1037733146.db2.gz BIHZHBNNAVCRPQ-UHFFFAOYSA-N 1 3 350.503 2.884 20 0 FFADHO CC1(CN2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]CC1 ZINC001235791667 1037745053 /nfs/dbraw/zinc/74/50/53/1037745053.db2.gz BSRKKPJKZAUVCK-INIZCTEOSA-N 1 3 352.320 2.785 20 0 FFADHO Fc1c(CN2CCCCC2)cccc1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001236002389 1037883307 /nfs/dbraw/zinc/88/33/07/1037883307.db2.gz INBIEGGGKMWYLX-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO Cc1c(F)ccc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1Cl ZINC001277567527 1037915979 /nfs/dbraw/zinc/91/59/79/1037915979.db2.gz RUFLQBCBXXRTSZ-LJQANCHMSA-N 1 3 367.896 2.774 20 0 FFADHO COc1ccc(Oc2cccc(CN(C)CCN3CC[NH2+]CC3)c2)cc1 ZINC001236083397 1037926268 /nfs/dbraw/zinc/92/62/68/1037926268.db2.gz SQWVICALNRANJP-UHFFFAOYSA-N 1 3 355.482 2.825 20 0 FFADHO Cc1ccc(Cl)c(CN2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)c1 ZINC001277590918 1038043139 /nfs/dbraw/zinc/04/31/39/1038043139.db2.gz FRRLCMICEGZZFV-KRWDZBQOSA-N 1 3 363.933 2.928 20 0 FFADHO COc1ccccc1CC1([NH3+])CCN(C2CCC3(CC2)OCCO3)CC1 ZINC001255619566 1038071087 /nfs/dbraw/zinc/07/10/87/1038071087.db2.gz SBXMZRYEDAVUPL-UHFFFAOYSA-N 1 3 360.498 2.717 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163982 1038106074 /nfs/dbraw/zinc/10/60/74/1038106074.db2.gz MOUDDFAWRVJPGN-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO COc1cccnc1O[C@@H]1CCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001236535564 1038121483 /nfs/dbraw/zinc/12/14/83/1038121483.db2.gz XAGDTWZQJPEYGY-LJQANCHMSA-N 1 3 353.466 2.779 20 0 FFADHO Cc1cccnc1O[C@@H]1CCCN(Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001236536326 1038125502 /nfs/dbraw/zinc/12/55/02/1038125502.db2.gz NSLGWCQZOSVBEP-OAQYLSRUSA-N 1 3 366.509 2.843 20 0 FFADHO CN1CCN(c2cccc(CN3CCC([NH+]4CCC(F)CC4)CC3)c2)CC1 ZINC001236888360 1038329985 /nfs/dbraw/zinc/32/99/85/1038329985.db2.gz CYGHIRGTCODWRD-UHFFFAOYSA-N 1 3 374.548 2.837 20 0 FFADHO CCOC(=O)N1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001256037872 1038331933 /nfs/dbraw/zinc/33/19/33/1038331933.db2.gz KCCOIOFJZJUBLH-IBGZPJMESA-N 1 3 357.498 2.815 20 0 FFADHO Cc1c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)ccnc1Cl ZINC001278906539 1038340253 /nfs/dbraw/zinc/34/02/53/1038340253.db2.gz NPYVOCAAMKTKTP-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO Cc1c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)ccnc1Cl ZINC001278906539 1038340260 /nfs/dbraw/zinc/34/02/60/1038340260.db2.gz NPYVOCAAMKTKTP-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(C3COC3)CC2)CCN1Cc1ccccc1 ZINC001256536213 1038550877 /nfs/dbraw/zinc/55/08/77/1038550877.db2.gz JLHDQFFZBIFKFO-RXVVDRJESA-N 1 3 357.542 2.740 20 0 FFADHO O=C([C@@H]1CCCC[N@@H+]1C[C@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC001208947323 1038601047 /nfs/dbraw/zinc/60/10/47/1038601047.db2.gz AOSFGIBRWXGZBO-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CCCC[N@H+]1C[C@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC001208947323 1038601050 /nfs/dbraw/zinc/60/10/50/1038601050.db2.gz AOSFGIBRWXGZBO-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO CN(C)C(=O)[C@@H]1CC12CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208950896 1038602395 /nfs/dbraw/zinc/60/23/95/1038602395.db2.gz FYKCJBKNUODLPJ-PMACEKPBSA-N 1 3 355.526 2.699 20 0 FFADHO CN(C)C(=O)[C@@H]1CC12CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208950896 1038602397 /nfs/dbraw/zinc/60/23/97/1038602397.db2.gz FYKCJBKNUODLPJ-PMACEKPBSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCCC[C@]12CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951402 1038602895 /nfs/dbraw/zinc/60/28/95/1038602895.db2.gz KWBSXNQENBYJPK-FGZHOGPDSA-N 1 3 355.526 2.985 20 0 FFADHO CC(=O)N1CCCC[C@]12CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951402 1038602898 /nfs/dbraw/zinc/60/28/98/1038602898.db2.gz KWBSXNQENBYJPK-FGZHOGPDSA-N 1 3 355.526 2.985 20 0 FFADHO c1cncc(C[N@H+](C2CCOCC2)C2CCC(N3CCOCC3)CC2)c1 ZINC001256694805 1038605117 /nfs/dbraw/zinc/60/51/17/1038605117.db2.gz FCKDEPMQSDJLCY-UHFFFAOYSA-N 1 3 359.514 2.706 20 0 FFADHO c1cncc(C[N@@H+](C2CCOCC2)C2CCC(N3CCOCC3)CC2)c1 ZINC001256694805 1038605119 /nfs/dbraw/zinc/60/51/19/1038605119.db2.gz FCKDEPMQSDJLCY-UHFFFAOYSA-N 1 3 359.514 2.706 20 0 FFADHO C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC(N2CCOCC2)CC1 ZINC001256697002 1038606411 /nfs/dbraw/zinc/60/64/11/1038606411.db2.gz QXUSCOHQGUGFDB-UHFFFAOYSA-N 1 3 354.498 2.948 20 0 FFADHO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC(N2CCOCC2)CC1 ZINC001256697002 1038606412 /nfs/dbraw/zinc/60/64/12/1038606412.db2.gz QXUSCOHQGUGFDB-UHFFFAOYSA-N 1 3 354.498 2.948 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2ccccc2Br)CC1 ZINC001256830743 1038630414 /nfs/dbraw/zinc/63/04/14/1038630414.db2.gz MDNWKBLOXGMIJX-MRXNPFEDSA-N 1 3 368.363 2.996 20 0 FFADHO CS(=O)(=O)c1ccc(CCN[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256899834 1038649714 /nfs/dbraw/zinc/64/97/14/1038649714.db2.gz WOEIMLHVIKMUJR-QGZVFWFLSA-N 1 3 350.528 2.629 20 0 FFADHO CS(=O)(=O)c1ccc(CCN[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256899834 1038649719 /nfs/dbraw/zinc/64/97/19/1038649719.db2.gz WOEIMLHVIKMUJR-QGZVFWFLSA-N 1 3 350.528 2.629 20 0 FFADHO CCCCc1ccc(CN2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)s1 ZINC001278988328 1038693790 /nfs/dbraw/zinc/69/37/90/1038693790.db2.gz DQKYGJMZGPKCCA-QZTJIDSGSA-N 1 3 361.555 2.733 20 0 FFADHO CCCCc1ccc(CN2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)s1 ZINC001278988328 1038693794 /nfs/dbraw/zinc/69/37/94/1038693794.db2.gz DQKYGJMZGPKCCA-QZTJIDSGSA-N 1 3 361.555 2.733 20 0 FFADHO CC(C)[NH+]1CCC(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)CC1 ZINC001257215990 1038746795 /nfs/dbraw/zinc/74/67/95/1038746795.db2.gz IXMIAKUQVBONDM-FQEVSTJZSA-N 1 3 355.526 2.855 20 0 FFADHO CC(C)[NH+]1CCC(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001257215336 1038747453 /nfs/dbraw/zinc/74/74/53/1038747453.db2.gz DPHRQAPQXUVGJM-CTNGQTDRSA-N 1 3 361.505 2.836 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3cnccc3N)C2)C1 ZINC001209730596 1039166280 /nfs/dbraw/zinc/16/62/80/1039166280.db2.gz ZEHXLHHQSIFFIK-LPHOPBHVSA-N 1 3 364.465 2.665 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3cnccc3N)C2)C1 ZINC001209730596 1039166284 /nfs/dbraw/zinc/16/62/84/1039166284.db2.gz ZEHXLHHQSIFFIK-LPHOPBHVSA-N 1 3 364.465 2.665 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001245996325 1039182496 /nfs/dbraw/zinc/18/24/96/1039182496.db2.gz VFGQCKJLXPDEEK-YESZJQIVSA-N 1 3 367.493 2.896 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CNCC[C@H]2CCCC[NH2+]2)cc1 ZINC001246003439 1039184957 /nfs/dbraw/zinc/18/49/57/1039184957.db2.gz QVLHKRBMLPQRDL-MOPGFXCFSA-N 1 3 362.514 2.624 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN2CC3(C2)CCC[NH2+]CC3)cc1 ZINC001246047310 1039218048 /nfs/dbraw/zinc/21/80/48/1039218048.db2.gz RVTWNTDCYIIUCS-IBGZPJMESA-N 1 3 374.525 2.577 20 0 FFADHO c1ccc(CN2CCC[C@@H]([NH2+][C@H]3CCCC[C@@]34CNCCO4)CC2)cc1 ZINC001246161407 1039261679 /nfs/dbraw/zinc/26/16/79/1039261679.db2.gz RIBCOZGQMHPXDD-BHIFYINESA-N 1 3 357.542 2.932 20 0 FFADHO C[C@@H]1C[C@@H](N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C)CN1Cc1ccccc1 ZINC001246206322 1039279664 /nfs/dbraw/zinc/27/96/64/1039279664.db2.gz FLBZOEKNHQVHBW-QRQLOZEOSA-N 1 3 361.530 2.688 20 0 FFADHO O=C(OCc1ccccc1)[C@@H]1CCCN[C@@H](NC2CCC3(C[NH2+]C3)CC2)C1 ZINC001246260171 1039290220 /nfs/dbraw/zinc/29/02/20/1039290220.db2.gz LYKGPFOAYOZKAE-QUCCMNQESA-N 1 3 371.525 2.567 20 0 FFADHO C[C@@H]1CC[C@@H](NC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246294726 1039303565 /nfs/dbraw/zinc/30/35/65/1039303565.db2.gz MJMPQEZHGWZXIF-UEVCKROQSA-N 1 3 367.537 2.780 20 0 FFADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246312053 1039310242 /nfs/dbraw/zinc/31/02/42/1039310242.db2.gz FEIUKXUOWJPTDC-FZKCQIBNSA-N 1 3 370.534 2.782 20 0 FFADHO COc1ccc(CC2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246379334 1039329322 /nfs/dbraw/zinc/32/93/22/1039329322.db2.gz XOKWBGOMECXUAG-WBVHZDCISA-N 1 3 371.447 2.632 20 0 FFADHO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246490360 1039367481 /nfs/dbraw/zinc/36/74/81/1039367481.db2.gz NHBSFLYQBQRWMJ-HKBOAZHASA-N 1 3 359.558 2.686 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC2(CC1)CNCCO2 ZINC001246606458 1039412682 /nfs/dbraw/zinc/41/26/82/1039412682.db2.gz YLTNVSCULWQBTI-CQSZACIVSA-N 1 3 358.404 2.971 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)N1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001246637579 1039424111 /nfs/dbraw/zinc/42/41/11/1039424111.db2.gz YQNAQIZKAOHSOI-QAPCUYQASA-N 1 3 366.347 2.798 20 0 FFADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCC(=O)N(Cc4ccccc4)CC3)C[C@H]2C1 ZINC001258591190 1039443640 /nfs/dbraw/zinc/44/36/40/1039443640.db2.gz QGPOCOITPNWOBQ-NJYVYQBISA-N 1 3 355.526 2.841 20 0 FFADHO Fc1cccc(O[C@H]2C[C@@H]3CN(C4CCC5(CC[NH2+]C5)CC4)CCN3C2)c1 ZINC001246750793 1039462640 /nfs/dbraw/zinc/46/26/40/1039462640.db2.gz UEZKECLRZOCJMJ-MHAWWQJISA-N 1 3 373.516 2.885 20 0 FFADHO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CCN(C2CC[NH2+]CC2)CC1 ZINC001246765121 1039471315 /nfs/dbraw/zinc/47/13/15/1039471315.db2.gz HSMGGTJMNOWFMX-FQEVSTJZSA-N 1 3 370.541 2.797 20 0 FFADHO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CC[NH+](C2CCNCC2)CC1 ZINC001246765121 1039471327 /nfs/dbraw/zinc/47/13/27/1039471327.db2.gz HSMGGTJMNOWFMX-FQEVSTJZSA-N 1 3 370.541 2.797 20 0 FFADHO CCCC[C@H](CCC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258761378 1039501025 /nfs/dbraw/zinc/50/10/25/1039501025.db2.gz JPUKTLPAAONPPV-HNNXBMFYSA-N 1 3 350.507 2.683 20 0 FFADHO CCCN1CCC([N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001258778081 1039513319 /nfs/dbraw/zinc/51/33/19/1039513319.db2.gz URVTUNYAVJNICM-FQEVSTJZSA-N 1 3 367.534 2.573 20 0 FFADHO CCCN1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001258778081 1039513329 /nfs/dbraw/zinc/51/33/29/1039513329.db2.gz URVTUNYAVJNICM-FQEVSTJZSA-N 1 3 367.534 2.573 20 0 FFADHO c1cc(N2CCC(c3nc(-c4ccc5c(n4)CCNC5)no3)CC2)cc[nH+]1 ZINC001247175231 1039645915 /nfs/dbraw/zinc/64/59/15/1039645915.db2.gz CQTKEQGNNNQLDV-UHFFFAOYSA-N 1 3 362.437 2.556 20 0 FFADHO COc1ccc(O[C@H](C)CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252943124 1039838458 /nfs/dbraw/zinc/83/84/58/1039838458.db2.gz FDHRGCCUJVXROU-GCJKJVERSA-N 1 3 370.493 2.689 20 0 FFADHO COc1ccc(O[C@H](C)CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252943124 1039838481 /nfs/dbraw/zinc/83/84/81/1039838481.db2.gz FDHRGCCUJVXROU-GCJKJVERSA-N 1 3 370.493 2.689 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094687 1039941640 /nfs/dbraw/zinc/94/16/40/1039941640.db2.gz MAHPFUWGQRESRF-WOJBJXKFSA-N 1 3 367.578 2.752 20 0 FFADHO FC(F)(F)c1ccc(Cl)cc1-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247829928 1039977400 /nfs/dbraw/zinc/97/74/00/1039977400.db2.gz KOYURWIEPWIGIN-LLVKDONJSA-N 1 3 358.751 2.685 20 0 FFADHO FC(F)(F)Oc1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1Cl ZINC001247831633 1039978499 /nfs/dbraw/zinc/97/84/99/1039978499.db2.gz UTYZDNOSPVVYGU-SECBINFHSA-N 1 3 374.750 2.565 20 0 FFADHO CCCN(C[C@H](O)C[NH+](CC)CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253192012 1040033433 /nfs/dbraw/zinc/03/34/33/1040033433.db2.gz HXIGYZLJFRSNCG-ZWKOTPCHSA-N 1 3 371.566 2.658 20 0 FFADHO CC[NH+](CC)C[C@H](O)CN[C@H]1CCc2ccc(Br)cc2C1 ZINC001253214302 1040050928 /nfs/dbraw/zinc/05/09/28/1040050928.db2.gz ZIIKYRLEWUZNAM-DLBZAZTESA-N 1 3 355.320 2.599 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)N1CCc2ccccc2C1 ZINC001211267759 1040052115 /nfs/dbraw/zinc/05/21/15/1040052115.db2.gz FSSFRSLCYIPFRN-NJYVYQBISA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)N1CCc2ccccc2C1 ZINC001211267759 1040052135 /nfs/dbraw/zinc/05/21/35/1040052135.db2.gz FSSFRSLCYIPFRN-NJYVYQBISA-N 1 3 370.541 2.701 20 0 FFADHO O[C@H](CN1CCC(COCC[NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC001253343683 1040120266 /nfs/dbraw/zinc/12/02/66/1040120266.db2.gz LUOTXUQMQRKLNC-HXUWFJFHSA-N 1 3 368.468 2.823 20 0 FFADHO [NH3+][C@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)Cc1cccc(Cl)c1 ZINC001248192931 1040167504 /nfs/dbraw/zinc/16/75/04/1040167504.db2.gz HSIPQCWGYZCOML-HNNXBMFYSA-N 1 3 369.856 2.543 20 0 FFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC2CCN(Cc3ccccn3)CC2)cc1 ZINC001253846707 1040409562 /nfs/dbraw/zinc/40/95/62/1040409562.db2.gz DMIXRCANZXEOCI-OAQYLSRUSA-N 1 3 369.509 2.632 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001254023827 1040525467 /nfs/dbraw/zinc/52/54/67/1040525467.db2.gz REGXTKWSRDFZRP-KZNAEPCWSA-N 1 3 350.503 2.676 20 0 FFADHO CO[C@H]1CCC[C@@H]2C[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001254036183 1040539012 /nfs/dbraw/zinc/53/90/12/1040539012.db2.gz FOLJYXPFEYHESJ-HKBOAZHASA-N 1 3 358.526 2.760 20 0 FFADHO CO[C@H]1CCC[C@@H]2C[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001254036183 1040539028 /nfs/dbraw/zinc/53/90/28/1040539028.db2.gz FOLJYXPFEYHESJ-HKBOAZHASA-N 1 3 358.526 2.760 20 0 FFADHO OC1(C[NH+]2CCC(n3ccnc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254039742 1040542120 /nfs/dbraw/zinc/54/21/20/1040542120.db2.gz JASKWZWMOQTPLU-UHFFFAOYSA-N 1 3 354.498 2.547 20 0 FFADHO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254050599 1040552377 /nfs/dbraw/zinc/55/23/77/1040552377.db2.gz PNMYJTGZVYRPJL-YADHBBJMSA-N 1 3 366.505 2.652 20 0 FFADHO CC(C)(F)c1ncncc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051200 1040553128 /nfs/dbraw/zinc/55/31/28/1040553128.db2.gz BANYTHGZPGJDIJ-UHFFFAOYSA-N 1 3 372.488 2.798 20 0 FFADHO [NH3+][C@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)c1ccccc1Cl ZINC001249334815 1040690481 /nfs/dbraw/zinc/69/04/81/1040690481.db2.gz GWTIVJAQSWPFKT-CQSZACIVSA-N 1 3 355.829 2.673 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001254517207 1040763422 /nfs/dbraw/zinc/76/34/22/1040763422.db2.gz FZBZDDSIGRKOJM-FPOVZHCZSA-N 1 3 356.514 2.523 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001254517207 1040763439 /nfs/dbraw/zinc/76/34/39/1040763439.db2.gz FZBZDDSIGRKOJM-FPOVZHCZSA-N 1 3 356.514 2.523 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CC1 ZINC001254523799 1040779947 /nfs/dbraw/zinc/77/99/47/1040779947.db2.gz WDCGJZINCAQHPT-TUNNFDKTSA-N 1 3 371.525 2.524 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CC1 ZINC001254523799 1040779956 /nfs/dbraw/zinc/77/99/56/1040779956.db2.gz WDCGJZINCAQHPT-TUNNFDKTSA-N 1 3 371.525 2.524 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001278520782 1040888408 /nfs/dbraw/zinc/88/84/08/1040888408.db2.gz KSBVLEJCBSTNLO-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc4n[nH]cc4c3)(C1)CCC2 ZINC001278521842 1040896569 /nfs/dbraw/zinc/89/65/69/1040896569.db2.gz XLUIBEPACMVHNU-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001213914353 1041070667 /nfs/dbraw/zinc/07/06/67/1041070667.db2.gz BRZAHJKFKMWANY-KJYWSYJISA-N 1 3 359.514 2.534 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974169 1041130154 /nfs/dbraw/zinc/13/01/54/1041130154.db2.gz LERQJLBUVAZMLB-BGEOSOQGSA-N 1 3 365.562 2.814 20 0 FFADHO COc1ncnc2c1CC[N@@H+]([C@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255400815 1041320691 /nfs/dbraw/zinc/32/06/91/1041320691.db2.gz CYSCHNZCOAKWMA-IBGZPJMESA-N 1 3 366.509 2.941 20 0 FFADHO COc1ncnc2c1CC[N@H+]([C@H]1CCCN(Cc3ccccc3)CC1)CC2 ZINC001255400815 1041320692 /nfs/dbraw/zinc/32/06/92/1041320692.db2.gz CYSCHNZCOAKWMA-IBGZPJMESA-N 1 3 366.509 2.941 20 0 FFADHO COc1cccc([C@@H](O)C[NH2+]CC2CCN(Cc3cccnc3)CC2)c1 ZINC001250736821 1041333682 /nfs/dbraw/zinc/33/36/82/1041333682.db2.gz KLHYWKZBWZTAAD-NRFANRHFSA-N 1 3 355.482 2.625 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001214755211 1041563495 /nfs/dbraw/zinc/56/34/95/1041563495.db2.gz VZMOQKINKPDEPQ-ATZDWAIDSA-N 1 3 367.484 2.751 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC/C=C\c1ccccc1 ZINC001214855768 1041595441 /nfs/dbraw/zinc/59/54/41/1041595441.db2.gz NLRGIXPWDZKHBQ-WCXDJEDVSA-N 1 3 355.526 2.867 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)c2C)C1 ZINC001214996848 1041638767 /nfs/dbraw/zinc/63/87/67/1041638767.db2.gz DTCQCRFZJQCQNL-CRAIPNDOSA-N 1 3 361.530 2.670 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCN(Cc4cccc(F)c4)C3=O)C[C@H]2C1 ZINC001262483174 1041700451 /nfs/dbraw/zinc/70/04/51/1041700451.db2.gz XWBUSUGKCDLMGC-QWFCFKBJSA-N 1 3 374.504 2.683 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1cc(F)ccc1F ZINC001215414314 1041774809 /nfs/dbraw/zinc/77/48/09/1041774809.db2.gz STASATPCUCPPRZ-QWQRMKEZSA-N 1 3 365.468 2.804 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncs2)C1 ZINC001215973172 1041921000 /nfs/dbraw/zinc/92/10/00/1041921000.db2.gz VYGWGAQUEGKBKL-NVXWUHKLSA-N 1 3 352.548 2.592 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cc21 ZINC001263095622 1042100578 /nfs/dbraw/zinc/10/05/78/1042100578.db2.gz RHXMMPXZBSCUON-KRWDZBQOSA-N 1 3 353.470 2.915 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001216830609 1042139418 /nfs/dbraw/zinc/13/94/18/1042139418.db2.gz VQJAIJONTZUNBG-DNVCBOLYSA-N 1 3 365.468 2.777 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001216845156 1042142452 /nfs/dbraw/zinc/14/24/52/1042142452.db2.gz ZVZIXNWLDGJNMY-HMXCVIKNSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC001216851735 1042144182 /nfs/dbraw/zinc/14/41/82/1042144182.db2.gz GYMPUILEQMQMRS-RHSMWYFYSA-N 1 3 371.447 2.982 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186117 1042156622 /nfs/dbraw/zinc/15/66/22/1042156622.db2.gz SPNDLGMSTFWWPU-ROUUACIJSA-N 1 3 357.498 2.623 20 0 FFADHO CC[C@@H](C)c1ncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC001216918650 1042162712 /nfs/dbraw/zinc/16/27/12/1042162712.db2.gz QZQIKNPPOMZOLF-OAHLLOKOSA-N 1 3 374.533 2.670 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001263282949 1042219722 /nfs/dbraw/zinc/21/97/22/1042219722.db2.gz NBQDFBSISCCXLV-UHFFFAOYSA-N 1 3 359.518 2.566 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001264007055 1042578062 /nfs/dbraw/zinc/57/80/62/1042578062.db2.gz WLCRUORVRNGTHO-WBVHZDCISA-N 1 3 366.937 2.794 20 0 FFADHO CC(C)OCCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001264157808 1042642566 /nfs/dbraw/zinc/64/25/66/1042642566.db2.gz TVZXGWJIEQIRTM-HOJAQTOUSA-N 1 3 365.562 2.788 20 0 FFADHO CC(C)OCCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001264157808 1042642568 /nfs/dbraw/zinc/64/25/68/1042642568.db2.gz TVZXGWJIEQIRTM-HOJAQTOUSA-N 1 3 365.562 2.788 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2cccc(C)n2)CC3)n(C)n1 ZINC001279177391 1042933931 /nfs/dbraw/zinc/93/39/31/1042933931.db2.gz COXCDGDLOLBBTF-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO c1cn(CCN2CC[C@]3(C2)CCC[N@@H+](CCOc2ccccc2)C3)cn1 ZINC001279247126 1042964920 /nfs/dbraw/zinc/96/49/20/1042964920.db2.gz HTNSDYAKNIJJDM-OAQYLSRUSA-N 1 3 354.498 2.750 20 0 FFADHO c1cn(CCN2CC[C@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)cn1 ZINC001279247126 1042964925 /nfs/dbraw/zinc/96/49/25/1042964925.db2.gz HTNSDYAKNIJJDM-OAQYLSRUSA-N 1 3 354.498 2.750 20 0 FFADHO O=C(Cc1ccsc1)N1C[C@@H]2CC[N@H+](CCCN3CCCCC3)[C@@H]2C1 ZINC001279275244 1042978836 /nfs/dbraw/zinc/97/88/36/1042978836.db2.gz HNWKBMZWGQUNFI-RBUKOAKNSA-N 1 3 361.555 2.699 20 0 FFADHO O=C(Cc1ccsc1)N1C[C@@H]2CC[N@@H+](CCCN3CCCCC3)[C@@H]2C1 ZINC001279275244 1042978837 /nfs/dbraw/zinc/97/88/37/1042978837.db2.gz HNWKBMZWGQUNFI-RBUKOAKNSA-N 1 3 361.555 2.699 20 0 FFADHO CCn1ccnc1CN1CC2(C1)CCC[N@H+](CCCN1CCCCC1)C2 ZINC001279275646 1042979415 /nfs/dbraw/zinc/97/94/15/1042979415.db2.gz XIRNXMVTQJYWSF-UHFFFAOYSA-N 1 3 359.562 2.677 20 0 FFADHO CCn1ccnc1CN1CC2(C1)CCC[N@@H+](CCCN1CCCCC1)C2 ZINC001279275646 1042979419 /nfs/dbraw/zinc/97/94/19/1042979419.db2.gz XIRNXMVTQJYWSF-UHFFFAOYSA-N 1 3 359.562 2.677 20 0 FFADHO COc1cc(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)c(F)cc1Cl ZINC001279298262 1042988818 /nfs/dbraw/zinc/98/88/18/1042988818.db2.gz RXYGSDQRNJGURK-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO Cc1cc(Br)ccc1CN1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001279321993 1042999518 /nfs/dbraw/zinc/99/95/18/1042999518.db2.gz JXSRCODPIWLMSG-ROUUACIJSA-N 1 3 366.347 2.968 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3cncc(F)c3Cl)C[C@H]2CC1 ZINC001279371799 1043033428 /nfs/dbraw/zinc/03/34/28/1043033428.db2.gz JNLJZSRZHGKNLO-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3cncc(F)c3Cl)C[C@H]2CC1 ZINC001279371799 1043033434 /nfs/dbraw/zinc/03/34/34/1043033434.db2.gz JNLJZSRZHGKNLO-GASCZTMLSA-N 1 3 354.901 2.580 20 0 FFADHO Brc1ccc(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CNCCO2)cc1 ZINC001237258084 1043077542 /nfs/dbraw/zinc/07/75/42/1043077542.db2.gz KGUKSCJLGZMFBA-DLBZAZTESA-N 1 3 353.304 2.835 20 0 FFADHO Brc1ccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CNCCO2)cc1 ZINC001237258084 1043077549 /nfs/dbraw/zinc/07/75/49/1043077549.db2.gz KGUKSCJLGZMFBA-DLBZAZTESA-N 1 3 353.304 2.835 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2c[nH]c3cccc(Cl)c23)CCC12C[NH2+]C2 ZINC001237430245 1043155987 /nfs/dbraw/zinc/15/59/87/1043155987.db2.gz KZVNIUSKCKDZOR-CQSZACIVSA-N 1 3 361.873 2.796 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCCC3(CN(C(=O)Cc4ccsc4)C3)C2)C1 ZINC001279501464 1043194883 /nfs/dbraw/zinc/19/48/83/1043194883.db2.gz GUTHGLUQHKZPDP-SFHVURJKSA-N 1 3 361.555 2.557 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCCC3(CN(C(=O)Cc4ccsc4)C3)C2)C1 ZINC001279501464 1043194892 /nfs/dbraw/zinc/19/48/92/1043194892.db2.gz GUTHGLUQHKZPDP-SFHVURJKSA-N 1 3 361.555 2.557 20 0 FFADHO Cc1nc(C)c(CN2CCC3(CC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)[nH]1 ZINC001279545595 1043239979 /nfs/dbraw/zinc/23/99/79/1043239979.db2.gz RSMWYYUADBHUAU-UHFFFAOYSA-N 1 3 355.486 2.615 20 0 FFADHO Cc1nc(C)c(CN2CCC3(CC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)[nH]1 ZINC001279545595 1043239989 /nfs/dbraw/zinc/23/99/89/1043239989.db2.gz RSMWYYUADBHUAU-UHFFFAOYSA-N 1 3 355.486 2.615 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCCCc1ccccc1)CC2 ZINC001279633926 1043373978 /nfs/dbraw/zinc/37/39/78/1043373978.db2.gz BFPSYPVEIJBPBU-UHFFFAOYSA-N 1 3 357.542 2.885 20 0 FFADHO Nc1cccc(C[NH+]2CCC3(CCN(Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001279699320 1043492364 /nfs/dbraw/zinc/49/23/64/1043492364.db2.gz IHYYWVFJXZUJJQ-UHFFFAOYSA-N 1 3 352.482 2.858 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)N1CCc2ccccc2C1 ZINC001311396193 1043908139 /nfs/dbraw/zinc/90/81/39/1043908139.db2.gz LGWLPKVXOJCZLB-VQTJNVASSA-N 1 3 372.557 2.995 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)N1CCc2ccccc2C1 ZINC001311396193 1043908146 /nfs/dbraw/zinc/90/81/46/1043908146.db2.gz LGWLPKVXOJCZLB-VQTJNVASSA-N 1 3 372.557 2.995 20 0 FFADHO Cc1cccc(Cl)c1CNC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001280021549 1044097297 /nfs/dbraw/zinc/09/72/97/1044097297.db2.gz KCOWHKCOBRNIFV-UHFFFAOYSA-N 1 3 361.917 2.871 20 0 FFADHO CN(C)CCN(C(=O)Nc1ccccc1OC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001239307511 1044097907 /nfs/dbraw/zinc/09/79/07/1044097907.db2.gz DPVIDTVZPKAAKH-CYBMUJFWSA-N 1 3 374.407 2.733 20 0 FFADHO COc1c(F)cccc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001278293018 1044099378 /nfs/dbraw/zinc/09/93/78/1044099378.db2.gz AVDDMRDAOLQFJY-UHFFFAOYSA-N 1 3 358.461 2.629 20 0 FFADHO CC/C=C\CCN1CC2(C1)SCC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001280029311 1044105358 /nfs/dbraw/zinc/10/53/58/1044105358.db2.gz XOVUHBDJWBWMQX-OOFWQKGWSA-N 1 3 365.587 2.703 20 0 FFADHO CC(C)CCCN1CCC([NH+]2CCC(C(=O)Nc3nnco3)CC2)CC1 ZINC001280033407 1044110038 /nfs/dbraw/zinc/11/00/38/1044110038.db2.gz PEUZQUFWFSQKBK-UHFFFAOYSA-N 1 3 363.506 2.621 20 0 FFADHO Cc1cc2cc(NC(=O)[C@@]34C[C@@H]3CCN4CC3CC[NH2+]CC3)ccc2[nH]1 ZINC001280138124 1044281361 /nfs/dbraw/zinc/28/13/61/1044281361.db2.gz SZGCCPLBCODNAV-LAUBAEHRSA-N 1 3 352.482 2.879 20 0 FFADHO CSc1ncc(C)cc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001280181750 1044364061 /nfs/dbraw/zinc/36/40/61/1044364061.db2.gz CASOXAGSYGMDAK-UHFFFAOYSA-N 1 3 371.554 2.906 20 0 FFADHO CCN(C(=O)[C@H]1CCSC12CN(CC1(C)CC[NH+](C)CC1)C2)C(C)C ZINC001280211519 1044404956 /nfs/dbraw/zinc/40/49/56/1044404956.db2.gz VULVMSSVQMHYCO-QGZVFWFLSA-N 1 3 367.603 2.783 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)cc1 ZINC001319083464 1045018161 /nfs/dbraw/zinc/01/81/61/1045018161.db2.gz OHDMESJMBQUBKN-WIYYLYMNSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)cc1 ZINC001319083464 1045018170 /nfs/dbraw/zinc/01/81/70/1045018170.db2.gz OHDMESJMBQUBKN-WIYYLYMNSA-N 1 3 370.541 2.695 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC001319087089 1045019502 /nfs/dbraw/zinc/01/95/02/1045019502.db2.gz UITZWEHZKXPNFO-RLLQIKCJSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC001319087089 1045019510 /nfs/dbraw/zinc/01/95/10/1045019510.db2.gz UITZWEHZKXPNFO-RLLQIKCJSA-N 1 3 356.514 2.529 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001316813937 1045033520 /nfs/dbraw/zinc/03/35/20/1045033520.db2.gz TUYIIDMKPZQKLI-VQTJNVASSA-N 1 3 361.530 2.720 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cncc(F)c2)CC(C)C)CC[N@@H+]1C ZINC001319610640 1045213268 /nfs/dbraw/zinc/21/32/68/1045213268.db2.gz VRCSLVRXVZGRIL-CEXWTWQISA-N 1 3 364.509 2.572 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cncc(F)c2)CC(C)C)CC[N@H+]1C ZINC001319610640 1045213279 /nfs/dbraw/zinc/21/32/79/1045213279.db2.gz VRCSLVRXVZGRIL-CEXWTWQISA-N 1 3 364.509 2.572 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)cc2)CC1 ZINC001318385293 1045287629 /nfs/dbraw/zinc/28/76/29/1045287629.db2.gz HKKJUKWBZXBVQC-SFTDATJTSA-N 1 3 372.557 2.820 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001321742758 1045782617 /nfs/dbraw/zinc/78/26/17/1045782617.db2.gz GYOCDRXZRPMQIY-RTBURBONSA-N 1 3 364.509 2.772 20 0 FFADHO CN(C)CCN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324114842 1045874357 /nfs/dbraw/zinc/87/43/57/1045874357.db2.gz KVKASEKQENEINI-IHWFROFDSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)CCN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324114842 1045874370 /nfs/dbraw/zinc/87/43/70/1045874370.db2.gz KVKASEKQENEINI-IHWFROFDSA-N 1 3 358.530 2.775 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccnc1N(C)C ZINC001325616105 1046578573 /nfs/dbraw/zinc/57/85/73/1046578573.db2.gz SXHXEVWFCUFHRD-UHFFFAOYSA-N 1 3 373.589 2.776 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001326006577 1046718764 /nfs/dbraw/zinc/71/87/64/1046718764.db2.gz PAODCVGWSMDQPA-MSOLQXFVSA-N 1 3 358.530 2.793 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001326692303 1047037509 /nfs/dbraw/zinc/03/75/09/1047037509.db2.gz GOJCYTCTNWDEOI-LQWHRVPQSA-N 1 3 364.493 2.673 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001326692303 1047037523 /nfs/dbraw/zinc/03/75/23/1047037523.db2.gz GOJCYTCTNWDEOI-LQWHRVPQSA-N 1 3 364.493 2.673 20 0 FFADHO CN(CCc1ccccc1)CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001540373369 1070866004 /nfs/dbraw/zinc/86/60/04/1070866004.db2.gz GQGRJLFHGMUXHQ-LJQANCHMSA-N 1 3 355.482 2.707 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001327829725 1048060632 /nfs/dbraw/zinc/06/06/32/1048060632.db2.gz DQVDFXDTWDJHTB-OALUTQOASA-N 1 3 362.518 2.758 20 0 FFADHO N[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC001332077128 1048236875 /nfs/dbraw/zinc/23/68/75/1048236875.db2.gz NDCUIWBIPCEOHC-VQTJNVASSA-N 1 3 356.514 2.817 20 0 FFADHO N[C@@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC001332077128 1048236884 /nfs/dbraw/zinc/23/68/84/1048236884.db2.gz NDCUIWBIPCEOHC-VQTJNVASSA-N 1 3 356.514 2.817 20 0 FFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1C(F)(F)F ZINC001332124889 1048257871 /nfs/dbraw/zinc/25/78/71/1048257871.db2.gz CKSPAYSTSDTBOK-ZDUSSCGKSA-N 1 3 365.346 2.950 20 0 FFADHO COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)N2CCCC2)c1 ZINC001328592374 1048370397 /nfs/dbraw/zinc/37/03/97/1048370397.db2.gz SDDYRRLVHDYFKG-PMACEKPBSA-N 1 3 359.514 2.856 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc(Cl)n1 ZINC001330918720 1049391645 /nfs/dbraw/zinc/39/16/45/1049391645.db2.gz UZRLWRCDWVUEIR-WMLDXEAASA-N 1 3 373.888 2.566 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001295977492 1050007909 /nfs/dbraw/zinc/00/79/09/1050007909.db2.gz HYZHEWQQPYMAQJ-IAGOWNOFSA-N 1 3 362.566 2.770 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001340017106 1050429372 /nfs/dbraw/zinc/42/93/72/1050429372.db2.gz ABRJGZLVXQXYER-UXHICEINSA-N 1 3 355.526 2.937 20 0 FFADHO Cc1nc(C(C)C)oc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001316666708 1050633421 /nfs/dbraw/zinc/63/34/21/1050633421.db2.gz JFFKYBWYWNEGJY-DLBZAZTESA-N 1 3 364.534 2.821 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(Cl)n1 ZINC000841851381 1050688835 /nfs/dbraw/zinc/68/88/35/1050688835.db2.gz SGJLITSHNYRJJR-FGTMMUONSA-N 1 3 372.900 2.634 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3C[C@@H]3C3CCCC3)CC2)CC1 ZINC001340629585 1051007941 /nfs/dbraw/zinc/00/79/41/1051007941.db2.gz IQZWNZCHVDSZDY-YLJYHZDGSA-N 1 3 362.562 2.671 20 0 FFADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001342413861 1051009612 /nfs/dbraw/zinc/00/96/12/1051009612.db2.gz DXEWCIWDKIXSKM-KBPBESRZSA-N 1 3 355.486 2.841 20 0 FFADHO Cc1ccc(CN(C)C)cc1NC(=O)COc1ccc(CCC[NH3+])cc1 ZINC001340879951 1051212210 /nfs/dbraw/zinc/21/22/10/1051212210.db2.gz JEXYUHGDSOYDHW-UHFFFAOYSA-N 1 3 355.482 2.965 20 0 FFADHO CCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001340928948 1051258427 /nfs/dbraw/zinc/25/84/27/1051258427.db2.gz KYICOANDZFOBPY-YLJYHZDGSA-N 1 3 358.530 2.988 20 0 FFADHO CCC[N@H+]1CCCC[C@@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001340928948 1051258438 /nfs/dbraw/zinc/25/84/38/1051258438.db2.gz KYICOANDZFOBPY-YLJYHZDGSA-N 1 3 358.530 2.988 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC001341470530 1051827436 /nfs/dbraw/zinc/82/74/36/1051827436.db2.gz WZKVOPOLGXQJOH-SIKLNZKXSA-N 1 3 365.477 2.734 20 0 FFADHO CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001542679174 1071279748 /nfs/dbraw/zinc/27/97/48/1071279748.db2.gz RVVLOGRBSWWQJR-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC001345192777 1052311713 /nfs/dbraw/zinc/31/17/13/1052311713.db2.gz PXVZQTGERJRHDJ-GOSISDBHSA-N 1 3 371.525 2.576 20 0 FFADHO CC1([NH+]2CCOCC2)CCC(N[C@@H](CO)c2ccc(F)cc2F)CC1 ZINC001308878117 1052511138 /nfs/dbraw/zinc/51/11/38/1052511138.db2.gz URAARLFALCKWNF-OBONGRFPSA-N 1 3 354.441 2.621 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@]12CC[NH2+]C2)c1ccsc1 ZINC001336726536 1054170035 /nfs/dbraw/zinc/17/00/35/1054170035.db2.gz HIKUTSJZZZPCDY-WMZOPIPTSA-N 1 3 350.532 2.669 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@](C)(c4ccccc4)CC3=O)C[C@H]2C1 ZINC001337806187 1055028862 /nfs/dbraw/zinc/02/88/62/1055028862.db2.gz QTVGQYPZLXTWNE-RMEPHLEKSA-N 1 3 355.526 2.796 20 0 FFADHO COC(=O)/C=C/c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000848890811 1055309362 /nfs/dbraw/zinc/30/93/62/1055309362.db2.gz VBGLTNNAPVRUOX-VOTSOKGWSA-N 1 3 362.470 2.543 20 0 FFADHO CC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC001356569627 1055589593 /nfs/dbraw/zinc/58/95/93/1055589593.db2.gz HGTMJXMPBCZYAE-CYBMUJFWSA-N 1 3 354.292 2.709 20 0 FFADHO CC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC001356569627 1055589598 /nfs/dbraw/zinc/58/95/98/1055589598.db2.gz HGTMJXMPBCZYAE-CYBMUJFWSA-N 1 3 354.292 2.709 20 0 FFADHO CCN1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC001356569627 1055589604 /nfs/dbraw/zinc/58/96/04/1055589604.db2.gz HGTMJXMPBCZYAE-CYBMUJFWSA-N 1 3 354.292 2.709 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC001356610444 1055613360 /nfs/dbraw/zinc/61/33/60/1055613360.db2.gz PSYAAQCLUGOKOA-SJLPKXTDSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC001356610444 1055613364 /nfs/dbraw/zinc/61/33/64/1055613364.db2.gz PSYAAQCLUGOKOA-SJLPKXTDSA-N 1 3 354.922 2.928 20 0 FFADHO C[C@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000849087560 1055634855 /nfs/dbraw/zinc/63/48/55/1055634855.db2.gz AVQUKPJRIZFXIC-RBBKRZOGSA-N 1 3 370.541 2.970 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001338922405 1055935525 /nfs/dbraw/zinc/93/55/25/1055935525.db2.gz LINOQNPCMKFQEE-PMACEKPBSA-N 1 3 360.546 2.675 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@@H](O)c1ccccn1)c1ccccc1O2 ZINC001353271668 1056248216 /nfs/dbraw/zinc/24/82/16/1056248216.db2.gz CPEJTYJHJOMHQD-RTBURBONSA-N 1 3 353.466 2.693 20 0 FFADHO COC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000872029730 1056737476 /nfs/dbraw/zinc/73/74/76/1056737476.db2.gz YKINHAKAJTWDQD-YZGWKJHDSA-N 1 3 357.498 2.717 20 0 FFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C34CCCN3CCC4)cc2)C1 ZINC001445041087 1058361671 /nfs/dbraw/zinc/36/16/71/1058361671.db2.gz AWYOUWYXRSRFQX-QGZVFWFLSA-N 1 3 357.498 2.974 20 0 FFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C34CCCN3CCC4)cc2)C1 ZINC001445041087 1058361680 /nfs/dbraw/zinc/36/16/80/1058361680.db2.gz AWYOUWYXRSRFQX-QGZVFWFLSA-N 1 3 357.498 2.974 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001545548768 1071798634 /nfs/dbraw/zinc/79/86/34/1071798634.db2.gz NYPRHJSHVAQLBU-GOSISDBHSA-N 1 3 374.577 2.952 20 0 FFADHO Cc1ccc([C@H](N)C(=O)Nc2ccc3nc(C4CC[NH2+]CC4)[nH]c3c2)cc1 ZINC001354669516 1059345740 /nfs/dbraw/zinc/34/57/40/1059345740.db2.gz FOZFLFLDTNLQLJ-IBGZPJMESA-N 1 3 363.465 2.977 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](NCc2csc(C)n2)C(C)C)CC[N@@H+]1C ZINC001506985725 1059586039 /nfs/dbraw/zinc/58/60/39/1059586039.db2.gz MRMIRRIKUCGDPL-RCCFBDPRSA-N 1 3 366.575 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](NCc2csc(C)n2)C(C)C)CC[N@H+]1C ZINC001506985725 1059586056 /nfs/dbraw/zinc/58/60/56/1059586056.db2.gz MRMIRRIKUCGDPL-RCCFBDPRSA-N 1 3 366.575 2.802 20 0 FFADHO CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001509003227 1059974665 /nfs/dbraw/zinc/97/46/65/1059974665.db2.gz SDZWBFAZDLJLFV-QGZVFWFLSA-N 1 3 362.566 2.662 20 0 FFADHO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C(C)(C)C1 ZINC001456175747 1060034869 /nfs/dbraw/zinc/03/48/69/1060034869.db2.gz LCCOWQTZSJVJTL-IRXDYDNUSA-N 1 3 365.468 2.600 20 0 FFADHO C[N@H+]1C[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C(C)(C)C1 ZINC001456175747 1060034891 /nfs/dbraw/zinc/03/48/91/1060034891.db2.gz LCCOWQTZSJVJTL-IRXDYDNUSA-N 1 3 365.468 2.600 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)(C)C)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001547637414 1071980338 /nfs/dbraw/zinc/98/03/38/1071980338.db2.gz ZAMXNCAAXDNICI-IRXDYDNUSA-N 1 3 362.566 2.590 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCN1C ZINC001477236515 1061640648 /nfs/dbraw/zinc/64/06/48/1061640648.db2.gz VYQRQYGASNPDAQ-XLIONFOSSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC001477926159 1061840448 /nfs/dbraw/zinc/84/04/48/1061840448.db2.gz GRWUHWDRHVSGKM-INIZCTEOSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001492926163 1062263339 /nfs/dbraw/zinc/26/33/39/1062263339.db2.gz BPWXSBXUUJAOCF-SFHVURJKSA-N 1 3 374.577 2.773 20 0 FFADHO Cc1nnc(N2CCN(CC3CC3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001492926163 1062263360 /nfs/dbraw/zinc/26/33/60/1062263360.db2.gz BPWXSBXUUJAOCF-SFHVURJKSA-N 1 3 374.577 2.773 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)s1 ZINC001479454343 1062422703 /nfs/dbraw/zinc/42/27/03/1062422703.db2.gz OEMFTAOHMRZRDP-JKSUJKDBSA-N 1 3 364.559 2.619 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479476606 1062452398 /nfs/dbraw/zinc/45/23/98/1062452398.db2.gz MFKXSPHYVZRPRL-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCC[N@H+]1CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001479476606 1062452406 /nfs/dbraw/zinc/45/24/06/1062452406.db2.gz MFKXSPHYVZRPRL-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001479640445 1062687050 /nfs/dbraw/zinc/68/70/50/1062687050.db2.gz MJKGZFPBOZUKDH-ZCNNSNEGSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001479640445 1062687060 /nfs/dbraw/zinc/68/70/60/1062687060.db2.gz MJKGZFPBOZUKDH-ZCNNSNEGSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001479640445 1062687066 /nfs/dbraw/zinc/68/70/66/1062687066.db2.gz MJKGZFPBOZUKDH-ZCNNSNEGSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001479640445 1062687074 /nfs/dbraw/zinc/68/70/74/1062687074.db2.gz MJKGZFPBOZUKDH-ZCNNSNEGSA-N 1 3 365.562 2.789 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CC[C@@H]1CC1(Cl)Cl ZINC001479640920 1062690177 /nfs/dbraw/zinc/69/01/77/1062690177.db2.gz DVVOWEQWCKHPLP-QLFBSQMISA-N 1 3 364.361 2.881 20 0 FFADHO CC(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001524912968 1063046823 /nfs/dbraw/zinc/04/68/23/1063046823.db2.gz VDEBEYXDWMXFAD-MOPGFXCFSA-N 1 3 374.577 2.808 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001496708061 1063637730 /nfs/dbraw/zinc/63/77/30/1063637730.db2.gz VGABMUITHIQMDP-LEWJYISDSA-N 1 3 357.542 2.796 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001496708061 1063637735 /nfs/dbraw/zinc/63/77/35/1063637735.db2.gz VGABMUITHIQMDP-LEWJYISDSA-N 1 3 357.542 2.796 20 0 FFADHO CCN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCN(C)C1 ZINC001467576794 1063788292 /nfs/dbraw/zinc/78/82/92/1063788292.db2.gz FKSXEFYORRZGJO-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001467668015 1063811656 /nfs/dbraw/zinc/81/16/56/1063811656.db2.gz NMUOMFBVKRBBRH-ROUUACIJSA-N 1 3 352.567 2.915 20 0 FFADHO C[C@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001467857520 1063868322 /nfs/dbraw/zinc/86/83/22/1063868322.db2.gz LLRFRFOUHFAWQH-CVEARBPZSA-N 1 3 368.953 2.842 20 0 FFADHO C[C@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001467857520 1063868326 /nfs/dbraw/zinc/86/83/26/1063868326.db2.gz LLRFRFOUHFAWQH-CVEARBPZSA-N 1 3 368.953 2.842 20 0 FFADHO C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCC1(C)C ZINC001468004381 1063904301 /nfs/dbraw/zinc/90/43/01/1063904301.db2.gz KNTVHDDJYUZPNE-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO C[N@H+]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCC1(C)C ZINC001468004381 1063904313 /nfs/dbraw/zinc/90/43/13/1063904313.db2.gz KNTVHDDJYUZPNE-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC001469102760 1064091593 /nfs/dbraw/zinc/09/15/93/1064091593.db2.gz UQNUERXNQNSANO-LJQANCHMSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC001469102760 1064091604 /nfs/dbraw/zinc/09/16/04/1064091604.db2.gz UQNUERXNQNSANO-LJQANCHMSA-N 1 3 362.562 2.911 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001471143493 1064576856 /nfs/dbraw/zinc/57/68/56/1064576856.db2.gz UKHHLXSNBHXEPW-WOJBJXKFSA-N 1 3 358.530 2.695 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC001471143493 1064576873 /nfs/dbraw/zinc/57/68/73/1064576873.db2.gz UKHHLXSNBHXEPW-WOJBJXKFSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC001471490570 1064693877 /nfs/dbraw/zinc/69/38/77/1064693877.db2.gz XMJPDFNFUBKWDP-SFHVURJKSA-N 1 3 358.530 2.554 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC001471490570 1064693886 /nfs/dbraw/zinc/69/38/86/1064693886.db2.gz XMJPDFNFUBKWDP-SFHVURJKSA-N 1 3 358.530 2.554 20 0 FFADHO CC(C)C[C@@H]([NH3+])CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC001575627282 1078158391 /nfs/dbraw/zinc/15/83/91/1078158391.db2.gz PSCWZSCQHGDDOF-QGZVFWFLSA-N 1 3 353.551 2.680 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC3(C[NH3+])CCCCC3)cc2)CC1 ZINC001575697187 1078165291 /nfs/dbraw/zinc/16/52/91/1078165291.db2.gz BNXLDRZQGDOAQD-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO C[C@](CO)(Cc1ccc(Br)cc1)NC[C@@H]1CCCC[NH2+]C1 ZINC001576037498 1078189260 /nfs/dbraw/zinc/18/92/60/1078189260.db2.gz QLTLKABPKXLWBP-NVXWUHKLSA-N 1 3 355.320 2.722 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CNCc1c(C(C)C)nc2sc(C)nn12 ZINC001474065501 1065448727 /nfs/dbraw/zinc/44/87/27/1065448727.db2.gz DRDMMUWPBKQNCQ-AWEZNQCLSA-N 1 3 353.536 2.669 20 0 FFADHO C[C@@H](NC1CCN(CC[NH3+])CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001576239212 1078210116 /nfs/dbraw/zinc/21/01/16/1078210116.db2.gz LKGSCDKDRRIPAJ-SNVBAGLBSA-N 1 3 350.816 2.828 20 0 FFADHO C[C@@H](Cc1coc2ccccc12)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001474553076 1065548641 /nfs/dbraw/zinc/54/86/41/1065548641.db2.gz VQIVOVWLMWUPDH-KRWDZBQOSA-N 1 3 357.498 2.946 20 0 FFADHO CC1(C)CN(C(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)C(C)(C)CN1Cc1ccccc1 ZINC001576456529 1078229599 /nfs/dbraw/zinc/22/95/99/1078229599.db2.gz YZFJVCANGVGXIA-HZPDHXFCSA-N 1 3 365.468 2.728 20 0 FFADHO C[C@H]1C[C@@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1C(=O)OC(C)(C)C ZINC001576598923 1078248232 /nfs/dbraw/zinc/24/82/32/1078248232.db2.gz PXDSPYPCXPDMHA-CPLUKWAASA-N 1 3 351.535 2.953 20 0 FFADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001576895355 1078285216 /nfs/dbraw/zinc/28/52/16/1078285216.db2.gz BGRJOYXHDUJBJP-WMZOPIPTSA-N 1 3 359.514 2.518 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCCC[NH2+]1)c1ccsc1 ZINC001577680996 1078387050 /nfs/dbraw/zinc/38/70/50/1078387050.db2.gz INDPWDUMNKZAAV-IRXDYDNUSA-N 1 3 352.548 2.962 20 0 FFADHO CCN(CC)[C@H](Cn1c(C)nnc1N1CC[NH2+][C@H](C)C1)c1ccsc1 ZINC001577684987 1078387547 /nfs/dbraw/zinc/38/75/47/1078387547.db2.gz RDSYCXFXORIRIO-RHSMWYFYSA-N 1 3 362.547 2.529 20 0 FFADHO CN(c1nnc([C@@H]2CCC[NH2+]2)n1CCN1CCCCC1)C1CCCCC1 ZINC001578511323 1078486082 /nfs/dbraw/zinc/48/60/82/1078486082.db2.gz GBNMLHZOPOTHDH-SFHVURJKSA-N 1 3 360.550 2.957 20 0 FFADHO COc1ccc([C@@H](NC[C@H](O)C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC001579200395 1078587906 /nfs/dbraw/zinc/58/79/06/1078587906.db2.gz XWHZFWGVJBAGJH-SFTDATJTSA-N 1 3 358.457 2.874 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001579459345 1078631437 /nfs/dbraw/zinc/63/14/37/1078631437.db2.gz UYZYPWAHQKWRTM-XLIONFOSSA-N 1 3 366.509 2.520 20 0 FFADHO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1C[C@H](c1cccs1)N(C)C ZINC001579901445 1078710845 /nfs/dbraw/zinc/71/08/45/1078710845.db2.gz XEBZOVBTIKYPNT-FCLJQHQZSA-N 1 3 374.558 2.670 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001580773725 1078859126 /nfs/dbraw/zinc/85/91/26/1078859126.db2.gz BKDNURCZJDPRFS-KRWDZBQOSA-N 1 3 358.486 2.697 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001580773725 1078859133 /nfs/dbraw/zinc/85/91/33/1078859133.db2.gz BKDNURCZJDPRFS-KRWDZBQOSA-N 1 3 358.486 2.697 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1 ZINC001549523001 1073897705 /nfs/dbraw/zinc/89/77/05/1073897705.db2.gz JFFBTFASCAQTQF-MOPGFXCFSA-N 1 3 356.445 2.846 20 0 FFADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC001550098857 1074144456 /nfs/dbraw/zinc/14/44/56/1074144456.db2.gz LZIKNEQUFUTQTR-DFQSSKMNSA-N 1 3 350.466 2.747 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001550423081 1074260582 /nfs/dbraw/zinc/26/05/82/1074260582.db2.gz HPILOBWOEPOWEL-WOZUAGRISA-N 1 3 372.488 2.581 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC001550423081 1074260590 /nfs/dbraw/zinc/26/05/90/1074260590.db2.gz HPILOBWOEPOWEL-WOZUAGRISA-N 1 3 372.488 2.581 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550423195 1074261331 /nfs/dbraw/zinc/26/13/31/1074261331.db2.gz JBBBHBXERCWLQC-MBDNFAEBSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550423195 1074261336 /nfs/dbraw/zinc/26/13/36/1074261336.db2.gz JBBBHBXERCWLQC-MBDNFAEBSA-N 1 3 368.525 2.750 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3nc4ccccc4nc3C)C2)[C@H]1C(C)C ZINC001550664506 1074425178 /nfs/dbraw/zinc/42/51/78/1074425178.db2.gz KPERPVNYDPJGMJ-UVUJQTEASA-N 1 3 368.525 2.898 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3nc4ccccc4nc3C)C2)[C@H]1C(C)C ZINC001550664506 1074425179 /nfs/dbraw/zinc/42/51/79/1074425179.db2.gz KPERPVNYDPJGMJ-UVUJQTEASA-N 1 3 368.525 2.898 20 0 FFADHO CC1(N2CCOCC2)CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC001550705869 1074442317 /nfs/dbraw/zinc/44/23/17/1074442317.db2.gz KJIFFUGDTIBYBW-KYBDOYODSA-N 1 3 372.513 2.656 20 0 FFADHO CN(C(=O)NC[C@@H]1Cc2ccccc2CN1)C1CC[NH+](C(C)(C)C)CC1 ZINC001550757908 1074457877 /nfs/dbraw/zinc/45/78/77/1074457877.db2.gz QYAAHVXSPUCKKK-SFHVURJKSA-N 1 3 358.530 2.605 20 0 FFADHO C[C@H]1CC[C@H](C(N)=O)CN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559523689 1076169279 /nfs/dbraw/zinc/16/92/79/1076169279.db2.gz ASQZAWORQVOGBY-RXVVDRJESA-N 1 3 357.542 2.917 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001565097552 1076685276 /nfs/dbraw/zinc/68/52/76/1076685276.db2.gz LEEXGMNPDSBOEM-KRWDZBQOSA-N 1 3 350.551 2.909 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001565097552 1076685279 /nfs/dbraw/zinc/68/52/79/1076685279.db2.gz LEEXGMNPDSBOEM-KRWDZBQOSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1ncc(CN[C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001565918799 1076801711 /nfs/dbraw/zinc/80/17/11/1076801711.db2.gz URJDGXRRMVQCNZ-ZWKOTPCHSA-N 1 3 362.518 2.624 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000518935901 539458343 /nfs/dbraw/zinc/45/83/43/539458343.db2.gz FVLQEGSBTZCUPI-SFHVURJKSA-N 1 3 370.501 2.534 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000097357740 209178427 /nfs/dbraw/zinc/17/84/27/209178427.db2.gz QNKIETRUBYDPNI-WSTZPKSXSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000097357740 209178430 /nfs/dbraw/zinc/17/84/30/209178430.db2.gz QNKIETRUBYDPNI-WSTZPKSXSA-N 1 3 360.546 2.579 20 0 FFADHO CN(Cc1cnc2ccc(Br)cn12)CC1CC[NH+](C)CC1 ZINC000093088671 250016056 /nfs/dbraw/zinc/01/60/56/250016056.db2.gz LZAODOUNGVZXHA-UHFFFAOYSA-N 1 3 351.292 2.870 20 0 FFADHO C[C@H]1CCC[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000101994351 250097561 /nfs/dbraw/zinc/09/75/61/250097561.db2.gz XZFDSHPSMPPLEB-IRXDYDNUSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000267371088 251335423 /nfs/dbraw/zinc/33/54/23/251335423.db2.gz KDXPNGKLUXGRRV-PBASOCQRSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000267371088 251335429 /nfs/dbraw/zinc/33/54/29/251335429.db2.gz KDXPNGKLUXGRRV-PBASOCQRSA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000272499216 252052625 /nfs/dbraw/zinc/05/26/25/252052625.db2.gz LFJOXHYENKLVTP-HXUWFJFHSA-N 1 3 374.525 2.855 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565496 252068941 /nfs/dbraw/zinc/06/89/41/252068941.db2.gz SPTRBXGBTRYVOX-PMXSJFBMSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565496 252068944 /nfs/dbraw/zinc/06/89/44/252068944.db2.gz SPTRBXGBTRYVOX-PMXSJFBMSA-N 1 3 370.541 2.775 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000272567840 252069851 /nfs/dbraw/zinc/06/98/51/252069851.db2.gz HQFBZUACFWIPAY-MRXNPFEDSA-N 1 3 364.559 2.916 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000272656105 252094563 /nfs/dbraw/zinc/09/45/63/252094563.db2.gz GSSJSXDIYJIMDX-GXRSIYKFSA-N 1 3 358.526 2.664 20 0 FFADHO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1=CCN(C)CC1 ZINC000272689010 252102614 /nfs/dbraw/zinc/10/26/14/252102614.db2.gz CAEYFKAQCLXZCM-KRWDZBQOSA-N 1 3 356.514 2.732 20 0 FFADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272944169 252170860 /nfs/dbraw/zinc/17/08/60/252170860.db2.gz MHFCQYFLFFLSGR-SFHVURJKSA-N 1 3 356.514 2.554 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000272856087 252148040 /nfs/dbraw/zinc/14/80/40/252148040.db2.gz URKXFWNOJXEFDK-QGZVFWFLSA-N 1 3 358.530 2.978 20 0 FFADHO C[NH+]1CCC(CC(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CC1 ZINC000273266224 252268053 /nfs/dbraw/zinc/26/80/53/252268053.db2.gz UINKKSFSXJDIJV-UHFFFAOYSA-N 1 3 370.541 2.889 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000276096221 256072278 /nfs/dbraw/zinc/07/22/78/256072278.db2.gz NJFWJFPYVBKCJB-UHFFFAOYSA-N 1 3 368.525 2.852 20 0 FFADHO C[C@@H]1CN(CCC[NH2+]C2CCN(CCc3ccccc3)CC2)CCCO1 ZINC000278420162 256310460 /nfs/dbraw/zinc/31/04/60/256310460.db2.gz GBLGSTPNWMZURK-HXUWFJFHSA-N 1 3 359.558 2.784 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278465240 256315801 /nfs/dbraw/zinc/31/58/01/256315801.db2.gz JKBOGFYDSBTIFB-RZUBCFFCSA-N 1 3 359.558 2.988 20 0 FFADHO FC(F)Oc1cc2c(cc1CNCC1CC[NH+](C3CC3)CC1)OCO2 ZINC000278502919 256319933 /nfs/dbraw/zinc/31/99/33/256319933.db2.gz OGLHBPLULWSURF-UHFFFAOYSA-N 1 3 354.397 2.981 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000286089006 257019756 /nfs/dbraw/zinc/01/97/56/257019756.db2.gz SSNUFJJBXVADPP-VJBWXMMDSA-N 1 3 371.569 2.907 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000286089006 257019757 /nfs/dbraw/zinc/01/97/57/257019757.db2.gz SSNUFJJBXVADPP-VJBWXMMDSA-N 1 3 371.569 2.907 20 0 FFADHO COc1ccc([C@@H](Cc2ccncc2)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000286212762 257026090 /nfs/dbraw/zinc/02/60/90/257026090.db2.gz SCSSFTSWNJTZAS-JOCHJYFZSA-N 1 3 369.509 2.810 20 0 FFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCCN1CCN(c2ccccc2)CC1 ZINC000286722154 257051502 /nfs/dbraw/zinc/05/15/02/257051502.db2.gz CLUBMWSLWCDBJV-UNMCSNQZSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000286722154 257051503 /nfs/dbraw/zinc/05/15/03/257051503.db2.gz CLUBMWSLWCDBJV-UNMCSNQZSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000286722154 257051504 /nfs/dbraw/zinc/05/15/04/257051504.db2.gz CLUBMWSLWCDBJV-UNMCSNQZSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CCN1Cc1ccccc1 ZINC000288213195 257161358 /nfs/dbraw/zinc/16/13/58/257161358.db2.gz SGVCETRTFKKDBG-LFGUQSLTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CCN1Cc1ccccc1 ZINC000288213195 257161360 /nfs/dbraw/zinc/16/13/60/257161360.db2.gz SGVCETRTFKKDBG-LFGUQSLTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288324684 257175608 /nfs/dbraw/zinc/17/56/08/257175608.db2.gz UYWXJAKXZRZYKI-ZIPQSNSFSA-N 1 3 370.541 2.774 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288324684 257175610 /nfs/dbraw/zinc/17/56/10/257175610.db2.gz UYWXJAKXZRZYKI-ZIPQSNSFSA-N 1 3 370.541 2.774 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289302140 257272833 /nfs/dbraw/zinc/27/28/33/257272833.db2.gz RAMDWPHYOPDQQQ-JFRXWTBNSA-N 1 3 358.482 2.775 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000289302140 257272834 /nfs/dbraw/zinc/27/28/34/257272834.db2.gz RAMDWPHYOPDQQQ-JFRXWTBNSA-N 1 3 358.482 2.775 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2cncn2C)CC1 ZINC000290137571 257316837 /nfs/dbraw/zinc/31/68/37/257316837.db2.gz VOJNYIDBQMGBTK-INIZCTEOSA-N 1 3 359.493 2.594 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000290158166 257317975 /nfs/dbraw/zinc/31/79/75/257317975.db2.gz NSGYEAYNXHSWTJ-PMACEKPBSA-N 1 3 356.514 2.545 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C12CCC[NH+]1CCC2 ZINC000290302532 257324490 /nfs/dbraw/zinc/32/44/90/257324490.db2.gz GJQKUPKQTQXGLW-UHFFFAOYSA-N 1 3 356.514 2.775 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290611045 257346077 /nfs/dbraw/zinc/34/60/77/257346077.db2.gz WOTODWXCTWJHTO-DOMZBBRYSA-N 1 3 351.292 2.869 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290611045 257346078 /nfs/dbraw/zinc/34/60/78/257346078.db2.gz WOTODWXCTWJHTO-DOMZBBRYSA-N 1 3 351.292 2.869 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000297568474 257844031 /nfs/dbraw/zinc/84/40/31/257844031.db2.gz HQKQVRRAKKSRHR-UHFFFAOYSA-N 1 3 361.559 2.699 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000298640822 257929411 /nfs/dbraw/zinc/92/94/11/257929411.db2.gz ITTHZBOXYZWUEP-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000299694917 258017437 /nfs/dbraw/zinc/01/74/37/258017437.db2.gz XNUAYJXQYIKPSE-UHFFFAOYSA-N 1 3 361.530 2.759 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000299694917 258017439 /nfs/dbraw/zinc/01/74/39/258017439.db2.gz XNUAYJXQYIKPSE-UHFFFAOYSA-N 1 3 361.530 2.759 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000003300916 506320673 /nfs/dbraw/zinc/32/06/73/506320673.db2.gz BVVMUEHQJIQHDI-WOJBJXKFSA-N 1 3 354.498 2.891 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377282488 512199305 /nfs/dbraw/zinc/19/93/05/512199305.db2.gz GGZQXKMVEZACRW-NZSAHSFTSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000377282488 512199312 /nfs/dbraw/zinc/19/93/12/512199312.db2.gz GGZQXKMVEZACRW-NZSAHSFTSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN3CCC2CC3)CC1 ZINC000375204334 512210858 /nfs/dbraw/zinc/21/08/58/512210858.db2.gz GQMYUGKRSAOTIP-QGZVFWFLSA-N 1 3 356.514 2.702 20 0 FFADHO COCC[C@@H]1CCCCN(CC(O)C[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000373183958 512210908 /nfs/dbraw/zinc/21/09/08/512210908.db2.gz ULPULRPFRSLUMC-PMACEKPBSA-N 1 3 370.578 2.625 20 0 FFADHO COCC[C@@H]1CCCCN(CC(O)C[N@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000373183958 512210914 /nfs/dbraw/zinc/21/09/14/512210914.db2.gz ULPULRPFRSLUMC-PMACEKPBSA-N 1 3 370.578 2.625 20 0 FFADHO COc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(OC)c1 ZINC000375246866 512230769 /nfs/dbraw/zinc/23/07/69/512230769.db2.gz ZQYFVWZCJOQAIO-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000066176340 506436075 /nfs/dbraw/zinc/43/60/75/506436075.db2.gz PMQNAQVUBBKUAO-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054718337 506608901 /nfs/dbraw/zinc/60/89/01/506608901.db2.gz WDBAHZHWOSRSES-FXAWDEMLSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054726326 506610609 /nfs/dbraw/zinc/61/06/09/506610609.db2.gz GHZCZTXPAHKEKQ-QZTJIDSGSA-N 1 3 373.545 2.670 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000066983576 506717448 /nfs/dbraw/zinc/71/74/48/506717448.db2.gz INSGKJAKQPJNBT-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO CC[NH+]1CCC(CNCc2cc3c(cc2Br)OCO3)CC1 ZINC000044517701 506851678 /nfs/dbraw/zinc/85/16/78/506851678.db2.gz MAAKNDHCTCLKJI-UHFFFAOYSA-N 1 3 355.276 2.999 20 0 FFADHO COc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000044908081 506900974 /nfs/dbraw/zinc/90/09/74/506900974.db2.gz XHLIHMLYFTWYJB-UHFFFAOYSA-N 1 3 373.541 2.899 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000067686721 506976931 /nfs/dbraw/zinc/97/69/31/506976931.db2.gz PCDPRAHIKNKUKF-SJORKVTESA-N 1 3 364.559 2.915 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000067686721 506976942 /nfs/dbraw/zinc/97/69/42/506976942.db2.gz PCDPRAHIKNKUKF-SJORKVTESA-N 1 3 364.559 2.915 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000045757353 507014060 /nfs/dbraw/zinc/01/40/60/507014060.db2.gz HWSCOSNQTUROIQ-SFHVURJKSA-N 1 3 372.557 2.991 20 0 FFADHO CN1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000057632245 507295669 /nfs/dbraw/zinc/29/56/69/507295669.db2.gz KFTKPKNUMKTPRF-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)CC1 ZINC000047885224 507407686 /nfs/dbraw/zinc/40/76/86/507407686.db2.gz IYNSYMMJNHQJPH-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO CC(C)N1CCCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000069770849 507555811 /nfs/dbraw/zinc/55/58/11/507555811.db2.gz ITGDIAPXBBWVBI-RTBURBONSA-N 1 3 352.567 2.870 20 0 FFADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc2n1 ZINC000050802302 507715829 /nfs/dbraw/zinc/71/58/29/507715829.db2.gz IIMRERRFLDFDEG-UHFFFAOYSA-N 1 3 366.509 2.832 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCN(C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000072044325 507739554 /nfs/dbraw/zinc/73/95/54/507739554.db2.gz JMWGFWZUIHPQRF-FQEVSTJZSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1cccc(C)c1NC(=O)CCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000089269485 507825780 /nfs/dbraw/zinc/82/57/80/507825780.db2.gz SOENRLGQVGIJIN-UHFFFAOYSA-N 1 3 374.573 2.980 20 0 FFADHO Cc1cccc(C)c1NC(=O)CCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000089269485 507825782 /nfs/dbraw/zinc/82/57/82/507825782.db2.gz SOENRLGQVGIJIN-UHFFFAOYSA-N 1 3 374.573 2.980 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000073035282 507886569 /nfs/dbraw/zinc/88/65/69/507886569.db2.gz GSVHBRAYCWCRMH-UHFFFAOYSA-N 1 3 366.509 2.855 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000073212229 507904099 /nfs/dbraw/zinc/90/40/99/507904099.db2.gz VJRRZSRRKCUFJK-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000073212229 507904102 /nfs/dbraw/zinc/90/41/02/507904102.db2.gz VJRRZSRRKCUFJK-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000073774428 507953937 /nfs/dbraw/zinc/95/39/37/507953937.db2.gz BABBIJKYTQVMOY-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091333602 507981169 /nfs/dbraw/zinc/98/11/69/507981169.db2.gz AUEWUEVMAZMNQG-OAHLLOKOSA-N 1 3 363.937 2.905 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091333602 507981171 /nfs/dbraw/zinc/98/11/71/507981171.db2.gz AUEWUEVMAZMNQG-OAHLLOKOSA-N 1 3 363.937 2.905 20 0 FFADHO C[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[NH+]1CCCCCC1 ZINC000074468698 508025535 /nfs/dbraw/zinc/02/55/35/508025535.db2.gz BFLZSWDMHVZWCC-GOSISDBHSA-N 1 3 358.530 2.637 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000377650163 512377220 /nfs/dbraw/zinc/37/72/20/512377220.db2.gz WRWGNCURBLYKMS-LEWJYISDSA-N 1 3 362.537 2.577 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000092756675 508099781 /nfs/dbraw/zinc/09/97/81/508099781.db2.gz BNUPAKNMFLNMTN-NRFANRHFSA-N 1 3 356.558 2.889 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000111846477 508129766 /nfs/dbraw/zinc/12/97/66/508129766.db2.gz LXIWPNYQMCUMIG-SFHVURJKSA-N 1 3 370.541 2.574 20 0 FFADHO CCN1CCN([C@H](C)CNC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000112916733 508232647 /nfs/dbraw/zinc/23/26/47/508232647.db2.gz RNBPFFUGZOEBJF-LJQANCHMSA-N 1 3 374.573 2.673 20 0 FFADHO CCN1CCN([C@H](C)CNC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000112916733 508232648 /nfs/dbraw/zinc/23/26/48/508232648.db2.gz RNBPFFUGZOEBJF-LJQANCHMSA-N 1 3 374.573 2.673 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C[NH+](C)C)C3)c(C)c2)CC1 ZINC000113364409 508262249 /nfs/dbraw/zinc/26/22/49/508262249.db2.gz FJCHINIYVKORAG-GOSISDBHSA-N 1 3 373.545 2.552 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000113451118 508268801 /nfs/dbraw/zinc/26/88/01/508268801.db2.gz RBVIVWKDECXHEG-GHTZIAJQSA-N 1 3 357.542 2.740 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000114017143 508290444 /nfs/dbraw/zinc/29/04/44/508290444.db2.gz OGBBHRYNWPPIMF-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000114017143 508290446 /nfs/dbraw/zinc/29/04/46/508290446.db2.gz OGBBHRYNWPPIMF-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO COc1ccc2cc([C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc2c1 ZINC000103212177 508302494 /nfs/dbraw/zinc/30/24/94/508302494.db2.gz ANMBEMFRIHCONJ-KRWDZBQOSA-N 1 3 371.525 2.904 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000103305340 508305717 /nfs/dbraw/zinc/30/57/17/508305717.db2.gz DRLSWTJOMKHTEY-CTNGQTDRSA-N 1 3 372.557 2.582 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000103305340 508305721 /nfs/dbraw/zinc/30/57/21/508305721.db2.gz DRLSWTJOMKHTEY-CTNGQTDRSA-N 1 3 372.557 2.582 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000103596956 508318512 /nfs/dbraw/zinc/31/85/12/508318512.db2.gz YZKRVZUDMJTSOH-HXUWFJFHSA-N 1 3 360.546 2.835 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000104339048 508332899 /nfs/dbraw/zinc/33/28/99/508332899.db2.gz VZGLZKKPKVQFBT-OAQYLSRUSA-N 1 3 373.541 2.898 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000104533762 508337825 /nfs/dbraw/zinc/33/78/25/508337825.db2.gz NXYPJMNNIFRBAU-UHFFFAOYSA-N 1 3 364.490 2.515 20 0 FFADHO C[N@H+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000104805594 508348222 /nfs/dbraw/zinc/34/82/22/508348222.db2.gz MKMMTTUZNBNVQI-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO C[N@@H+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000104805594 508348223 /nfs/dbraw/zinc/34/82/23/508348223.db2.gz MKMMTTUZNBNVQI-UHFFFAOYSA-N 1 3 358.530 2.778 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114829604 508351886 /nfs/dbraw/zinc/35/18/86/508351886.db2.gz FFGCPHYOUGYYEL-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114829604 508351887 /nfs/dbraw/zinc/35/18/87/508351887.db2.gz FFGCPHYOUGYYEL-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000114834778 508352346 /nfs/dbraw/zinc/35/23/46/508352346.db2.gz PLNZSFMOSDHSNY-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC)C2)N(C)C)cc1 ZINC000105083228 508359482 /nfs/dbraw/zinc/35/94/82/508359482.db2.gz NPKYUJQRVDFDAV-UYAOXDASSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](CC)C2)N(C)C)cc1 ZINC000105083228 508359483 /nfs/dbraw/zinc/35/94/83/508359483.db2.gz NPKYUJQRVDFDAV-UYAOXDASSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)N(C)C)cc1 ZINC000105083225 508359615 /nfs/dbraw/zinc/35/96/15/508359615.db2.gz NPKYUJQRVDFDAV-ICSRJNTNSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC)C2)N(C)C)cc1 ZINC000105083225 508359616 /nfs/dbraw/zinc/35/96/16/508359616.db2.gz NPKYUJQRVDFDAV-ICSRJNTNSA-N 1 3 360.546 2.883 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000105103343 508360824 /nfs/dbraw/zinc/36/08/24/508360824.db2.gz GQCXWRAGBRBTFV-LJQANCHMSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCC[C@](CNC(=O)N(CCN(C)C)Cc2ccco2)([NH+](C)C)C1 ZINC000088505844 508373861 /nfs/dbraw/zinc/37/38/61/508373861.db2.gz OFUUJZGMPIPOBN-PXNSSMCTSA-N 1 3 364.534 2.863 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000077838624 508383435 /nfs/dbraw/zinc/38/34/35/508383435.db2.gz FSNLLXIFARPWBG-KRWDZBQOSA-N 1 3 356.461 2.551 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000127238985 508419456 /nfs/dbraw/zinc/41/94/56/508419456.db2.gz LGNVESGERIOMKW-AEFFLSMTSA-N 1 3 350.551 2.669 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000115781051 508435629 /nfs/dbraw/zinc/43/56/29/508435629.db2.gz LQARBACOEPRLQV-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000115781051 508435632 /nfs/dbraw/zinc/43/56/32/508435632.db2.gz LQARBACOEPRLQV-QUCCMNQESA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000115785828 508436607 /nfs/dbraw/zinc/43/66/07/508436607.db2.gz ITPLJSYNPCFCHE-IRXDYDNUSA-N 1 3 364.559 2.868 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000115785828 508436610 /nfs/dbraw/zinc/43/66/10/508436610.db2.gz ITPLJSYNPCFCHE-IRXDYDNUSA-N 1 3 364.559 2.868 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000133866886 508461287 /nfs/dbraw/zinc/46/12/87/508461287.db2.gz GAVYWYOSRKZFLB-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000127788064 508499573 /nfs/dbraw/zinc/49/95/73/508499573.db2.gz UARIBBWAFSRONA-HOJAQTOUSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000127788064 508499577 /nfs/dbraw/zinc/49/95/77/508499577.db2.gz UARIBBWAFSRONA-HOJAQTOUSA-N 1 3 370.541 2.775 20 0 FFADHO CC1(C)C[C@@H]([NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)C(C)(C)O1 ZINC000156953164 508502130 /nfs/dbraw/zinc/50/21/30/508502130.db2.gz FUPRLTYEIQBWAB-RBUKOAKNSA-N 1 3 373.541 2.820 20 0 FFADHO CC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000158085968 508655308 /nfs/dbraw/zinc/65/53/08/508655308.db2.gz MXGFLUANHNZOOO-UKRRQHHQSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+]1CC[C@@H](NCCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000158085968 508655313 /nfs/dbraw/zinc/65/53/13/508655313.db2.gz MXGFLUANHNZOOO-UKRRQHHQSA-N 1 3 353.894 2.997 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000158093734 508656208 /nfs/dbraw/zinc/65/62/08/508656208.db2.gz IFDQBJXZRSLDDQ-IPYPFGDCSA-N 1 3 353.894 2.996 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000158093734 508656212 /nfs/dbraw/zinc/65/62/12/508656212.db2.gz IFDQBJXZRSLDDQ-IPYPFGDCSA-N 1 3 353.894 2.996 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000119086881 508722982 /nfs/dbraw/zinc/72/29/82/508722982.db2.gz BHIFMENAYOZZKY-NRFANRHFSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000154328967 508761839 /nfs/dbraw/zinc/76/18/39/508761839.db2.gz QYGBZBJWPTYFPU-QGZVFWFLSA-N 1 3 373.520 2.998 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000154328857 508761884 /nfs/dbraw/zinc/76/18/84/508761884.db2.gz QYGBZBJWPTYFPU-KRWDZBQOSA-N 1 3 373.520 2.998 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000129790461 508766761 /nfs/dbraw/zinc/76/67/61/508766761.db2.gz FTCBGFOMOYNZCP-SJORKVTESA-N 1 3 364.559 2.553 20 0 FFADHO CCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159084705 508790503 /nfs/dbraw/zinc/79/05/03/508790503.db2.gz UYTLSUDXRDYXRO-OAQYLSRUSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCN1Cc1ccccc1 ZINC000119587038 508823628 /nfs/dbraw/zinc/82/36/28/508823628.db2.gz SITPCXFBQHTXAS-RBBKRZOGSA-N 1 3 370.541 2.921 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)Nc2ccn(CCN(C)C)n2)cc1)C(C)C ZINC000119968791 508900503 /nfs/dbraw/zinc/90/05/03/508900503.db2.gz FOOJNPFFEFRFLW-UHFFFAOYSA-N 1 3 357.502 2.927 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)Nc2ccn(CCN(C)C)n2)cc1)C(C)C ZINC000119968791 508900506 /nfs/dbraw/zinc/90/05/06/508900506.db2.gz FOOJNPFFEFRFLW-UHFFFAOYSA-N 1 3 357.502 2.927 20 0 FFADHO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)N1CCOCC1 ZINC000120069777 508921676 /nfs/dbraw/zinc/92/16/76/508921676.db2.gz XGNCESFVKFKTRF-WIYYLYMNSA-N 1 3 363.546 2.634 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000120214057 508951622 /nfs/dbraw/zinc/95/16/22/508951622.db2.gz URSMBHQSPLVGKY-GHTZIAJQSA-N 1 3 372.557 2.941 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000120214057 508951625 /nfs/dbraw/zinc/95/16/25/508951625.db2.gz URSMBHQSPLVGKY-GHTZIAJQSA-N 1 3 372.557 2.941 20 0 FFADHO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000125670025 509014213 /nfs/dbraw/zinc/01/42/13/509014213.db2.gz IRWHZJSMQYTQCW-INIZCTEOSA-N 1 3 363.502 2.899 20 0 FFADHO CC(C)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCN(C)CC1 ZINC000132394678 509026253 /nfs/dbraw/zinc/02/62/53/509026253.db2.gz KCQJSGNGGBJOER-OAQYLSRUSA-N 1 3 350.595 2.645 20 0 FFADHO [NH3+]C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000155626143 509040592 /nfs/dbraw/zinc/04/05/92/509040592.db2.gz YXGCRKIOOFUIQH-NRFANRHFSA-N 1 3 372.557 2.613 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000151623341 509054788 /nfs/dbraw/zinc/05/47/88/509054788.db2.gz LGXJCYNMKJCZDY-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000151623341 509054789 /nfs/dbraw/zinc/05/47/89/509054789.db2.gz LGXJCYNMKJCZDY-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CCCCC3)cc2)CC1 ZINC000155776015 509069753 /nfs/dbraw/zinc/06/97/53/509069753.db2.gz DRAAYDITCNCGAM-OAQYLSRUSA-N 1 3 372.557 2.854 20 0 FFADHO CCCOc1cc(F)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000132931033 509093581 /nfs/dbraw/zinc/09/35/81/509093581.db2.gz METPNECFEIAKMN-UHFFFAOYSA-N 1 3 354.470 2.572 20 0 FFADHO Cc1cc(C)cc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000126627479 509104505 /nfs/dbraw/zinc/10/45/05/509104505.db2.gz PWNQSAUKFRNWIX-UHFFFAOYSA-N 1 3 372.557 2.704 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000162057248 509171243 /nfs/dbraw/zinc/17/12/43/509171243.db2.gz WBTGYZFMHNOTCC-UHFFFAOYSA-N 1 3 361.534 2.671 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000162057248 509171244 /nfs/dbraw/zinc/17/12/44/509171244.db2.gz WBTGYZFMHNOTCC-UHFFFAOYSA-N 1 3 361.534 2.671 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000182338590 509182599 /nfs/dbraw/zinc/18/25/99/509182599.db2.gz AUSDYIWNGANKCP-QHAWAJNXSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000182338590 509182607 /nfs/dbraw/zinc/18/26/07/509182607.db2.gz AUSDYIWNGANKCP-QHAWAJNXSA-N 1 3 370.541 2.949 20 0 FFADHO CN(C)CCOc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000162541659 509248227 /nfs/dbraw/zinc/24/82/27/509248227.db2.gz DZQBYADBTPWQMN-UHFFFAOYSA-N 1 3 359.436 2.743 20 0 FFADHO C[C@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000175999814 509265816 /nfs/dbraw/zinc/26/58/16/509265816.db2.gz VTOYQTGJEIEKSN-GOSISDBHSA-N 1 3 361.530 2.898 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179118105 509270815 /nfs/dbraw/zinc/27/08/15/509270815.db2.gz PZKNBGQACLVRSK-WOJBJXKFSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248400224 509297625 /nfs/dbraw/zinc/29/76/25/509297625.db2.gz KRUYORBUOZOOHC-VXNCWWDNSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248400224 509297629 /nfs/dbraw/zinc/29/76/29/509297629.db2.gz KRUYORBUOZOOHC-VXNCWWDNSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H](C)N1CCOCC1 ZINC000248415639 509306391 /nfs/dbraw/zinc/30/63/91/509306391.db2.gz OLKBIVJGZHIRSM-QHGDMDKLSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H](C)N1CCOCC1 ZINC000248415639 509306396 /nfs/dbraw/zinc/30/63/96/509306396.db2.gz OLKBIVJGZHIRSM-QHGDMDKLSA-N 1 3 357.542 2.596 20 0 FFADHO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H](C)N1CCOCC1 ZINC000248415639 509306403 /nfs/dbraw/zinc/30/64/03/509306403.db2.gz OLKBIVJGZHIRSM-QHGDMDKLSA-N 1 3 357.542 2.596 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000248617571 509395004 /nfs/dbraw/zinc/39/50/04/509395004.db2.gz MFUIQERRLCXPOT-RDJZCZTQSA-N 1 3 352.548 2.724 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000176383175 509479667 /nfs/dbraw/zinc/47/96/67/509479667.db2.gz KELJKCYIWROMOI-MRXNPFEDSA-N 1 3 350.551 2.813 20 0 FFADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000164495686 509507879 /nfs/dbraw/zinc/50/78/79/509507879.db2.gz VCUFNESULTYKSA-OAHLLOKOSA-N 1 3 353.532 2.510 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c(C)c2)CC1 ZINC000236868228 509519811 /nfs/dbraw/zinc/51/98/11/509519811.db2.gz LTHPCJQQEVVSNQ-YQQQUEKLSA-N 1 3 370.541 2.996 20 0 FFADHO COc1cccc2c1CC[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C2 ZINC000192446238 509520448 /nfs/dbraw/zinc/52/04/48/509520448.db2.gz YESGDLJQATYBJC-SFHVURJKSA-N 1 3 355.482 2.678 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000164838920 509539744 /nfs/dbraw/zinc/53/97/44/509539744.db2.gz BMTHSTKTWITASB-OPYAIIAOSA-N 1 3 373.541 2.549 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000248926321 509545639 /nfs/dbraw/zinc/54/56/39/509545639.db2.gz YGGMIWOANRLJJZ-PXNSSMCTSA-N 1 3 373.541 2.687 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000248926321 509545646 /nfs/dbraw/zinc/54/56/46/509545646.db2.gz YGGMIWOANRLJJZ-PXNSSMCTSA-N 1 3 373.541 2.687 20 0 FFADHO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000165059110 509554384 /nfs/dbraw/zinc/55/43/84/509554384.db2.gz DWFMODSJOUKTQP-KRWDZBQOSA-N 1 3 361.530 2.926 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000248971823 509558876 /nfs/dbraw/zinc/55/88/76/509558876.db2.gz GUXYXHIJJVPSNW-RTWAWAEBSA-N 1 3 370.541 2.799 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000248971823 509558880 /nfs/dbraw/zinc/55/88/80/509558880.db2.gz GUXYXHIJJVPSNW-RTWAWAEBSA-N 1 3 370.541 2.799 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000237071446 509563061 /nfs/dbraw/zinc/56/30/61/509563061.db2.gz YJGGLEMHJUFVBH-UHFFFAOYSA-N 1 3 351.494 2.686 20 0 FFADHO CCCN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000165495409 509571824 /nfs/dbraw/zinc/57/18/24/509571824.db2.gz RAFNFJJIVZTIFI-RTWAWAEBSA-N 1 3 373.541 2.658 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000166013208 509591488 /nfs/dbraw/zinc/59/14/88/509591488.db2.gz TVBLUJXLBXLCGB-ZBFHGGJFSA-N 1 3 365.909 2.928 20 0 FFADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000237272808 509607969 /nfs/dbraw/zinc/60/79/69/509607969.db2.gz FOZXFYVGGWHPPC-GOSISDBHSA-N 1 3 366.509 2.803 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc(OCCN(C)C)c1 ZINC000166514376 509609431 /nfs/dbraw/zinc/60/94/31/509609431.db2.gz DLVIABUYTHZYBD-HKUYNNGSSA-N 1 3 371.529 2.680 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000249421530 509677875 /nfs/dbraw/zinc/67/78/75/509677875.db2.gz HQZDKPOXLMKOCU-WAPOTWQKSA-N 1 3 367.578 2.796 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000237673812 509707293 /nfs/dbraw/zinc/70/72/93/509707293.db2.gz PGRAPKARTOHHTJ-QFBILLFUSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000237673812 509707300 /nfs/dbraw/zinc/70/73/00/509707300.db2.gz PGRAPKARTOHHTJ-QFBILLFUSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H](N)c1ccccc1 ZINC000237712591 509716535 /nfs/dbraw/zinc/71/65/35/509716535.db2.gz WGZNKWXFDJXCQZ-UZLBHIALSA-N 1 3 355.482 2.579 20 0 FFADHO [NH3+][C@H](CCC(=O)NCC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000237915491 509772955 /nfs/dbraw/zinc/77/29/55/509772955.db2.gz CXUHITGLURWXJZ-GOSISDBHSA-N 1 3 361.555 2.944 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000173782478 509774263 /nfs/dbraw/zinc/77/42/63/509774263.db2.gz BCHAUDZSAGFQIB-FQEVSTJZSA-N 1 3 356.514 2.684 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000268144881 509779672 /nfs/dbraw/zinc/77/96/72/509779672.db2.gz GBYVNCBYYWYICK-HXUWFJFHSA-N 1 3 357.542 2.993 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000268144881 509779677 /nfs/dbraw/zinc/77/96/77/509779677.db2.gz GBYVNCBYYWYICK-HXUWFJFHSA-N 1 3 357.542 2.993 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cc(Cl)cs2)cc1 ZINC000193114959 509785220 /nfs/dbraw/zinc/78/52/20/509785220.db2.gz VGOVQXQNOWEDNJ-UHFFFAOYSA-N 1 3 351.903 2.983 20 0 FFADHO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000238017608 509799439 /nfs/dbraw/zinc/79/94/39/509799439.db2.gz UABNGHFCFOHLSH-NRFANRHFSA-N 1 3 357.542 2.980 20 0 FFADHO [NH3+]C[C@@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)c1ccccc1 ZINC000238029376 509803288 /nfs/dbraw/zinc/80/32/88/509803288.db2.gz BEUNJDHBFVJJIF-VQIMIIECSA-N 1 3 357.523 2.819 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000251676627 509816250 /nfs/dbraw/zinc/81/62/50/509816250.db2.gz MQJOCAFGTDAFHD-NHCUHLMSSA-N 1 3 370.541 2.777 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000251797099 509822139 /nfs/dbraw/zinc/82/21/39/509822139.db2.gz KFHWBRPSMDZOBE-JKSUJKDBSA-N 1 3 352.548 2.915 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000251797099 509822146 /nfs/dbraw/zinc/82/21/46/509822146.db2.gz KFHWBRPSMDZOBE-JKSUJKDBSA-N 1 3 352.548 2.915 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2CC[NH+](C(C)C)CC2)c1 ZINC000183592105 509875542 /nfs/dbraw/zinc/87/55/42/509875542.db2.gz VNNKGKWSNYLRLL-HNNXBMFYSA-N 1 3 361.486 2.653 20 0 FFADHO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000177110765 509878719 /nfs/dbraw/zinc/87/87/19/509878719.db2.gz KOMQFHDVRHAJRJ-OAQYLSRUSA-N 1 3 373.541 2.610 20 0 FFADHO C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245385250 509889218 /nfs/dbraw/zinc/88/92/18/509889218.db2.gz BFIDHFWGKJIDCJ-NNIGNNQHSA-N 1 3 365.562 2.596 20 0 FFADHO Cc1ccc([C@H](O)CNCc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000268397612 509905444 /nfs/dbraw/zinc/90/54/44/509905444.db2.gz ZKGLAFWFEFNCDN-HXUWFJFHSA-N 1 3 357.498 2.942 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000255615990 509931325 /nfs/dbraw/zinc/93/13/25/509931325.db2.gz RFFDWGSZWILWDQ-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000255615990 509931331 /nfs/dbraw/zinc/93/13/31/509931331.db2.gz RFFDWGSZWILWDQ-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000255711269 509934080 /nfs/dbraw/zinc/93/40/80/509934080.db2.gz CMSURKSNGCYESK-ICSRJNTNSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000255711269 509934084 /nfs/dbraw/zinc/93/40/84/509934084.db2.gz CMSURKSNGCYESK-ICSRJNTNSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000255958570 509941357 /nfs/dbraw/zinc/94/13/57/509941357.db2.gz GOEFVEIZWVMFJY-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000255958570 509941363 /nfs/dbraw/zinc/94/13/63/509941363.db2.gz GOEFVEIZWVMFJY-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)([NH+](C)C)C1 ZINC000255958148 509941408 /nfs/dbraw/zinc/94/14/08/509941408.db2.gz WEFUTWMGQFQEAY-UZKOGDIHSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@@H](CCOc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174267156 510029840 /nfs/dbraw/zinc/02/98/40/510029840.db2.gz PZFVHKLZDRDLBB-SFHVURJKSA-N 1 3 373.541 2.766 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C[NH+]1CCCCC1 ZINC000245610054 510036743 /nfs/dbraw/zinc/03/67/43/510036743.db2.gz BECUQCZVFJSHIB-RLLQIKCJSA-N 1 3 358.530 2.853 20 0 FFADHO C[N@H+](Cc1ccccc1CNC(=O)C1(N)CCOCC1)C1CCCCC1 ZINC000261775038 510058132 /nfs/dbraw/zinc/05/81/32/510058132.db2.gz GZASKXMASPGYQV-UHFFFAOYSA-N 1 3 359.514 2.575 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC(=O)C1(N)CCOCC1)C1CCCCC1 ZINC000261775038 510058137 /nfs/dbraw/zinc/05/81/37/510058137.db2.gz GZASKXMASPGYQV-UHFFFAOYSA-N 1 3 359.514 2.575 20 0 FFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000174344999 510069037 /nfs/dbraw/zinc/06/90/37/510069037.db2.gz YIIMDYQDFKETHC-OAQYLSRUSA-N 1 3 368.525 2.554 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 ZINC000171304140 510069210 /nfs/dbraw/zinc/06/92/10/510069210.db2.gz ZRJBILFJPZRNCU-ROUUACIJSA-N 1 3 359.514 2.836 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000245678039 510077761 /nfs/dbraw/zinc/07/77/61/510077761.db2.gz GEDJROYGCDAXBR-VDGAXYAQSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000245678039 510077769 /nfs/dbraw/zinc/07/77/69/510077769.db2.gz GEDJROYGCDAXBR-VDGAXYAQSA-N 1 3 360.546 2.976 20 0 FFADHO O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000261872743 510095028 /nfs/dbraw/zinc/09/50/28/510095028.db2.gz QXTKHOSFJUFYIW-KRWDZBQOSA-N 1 3 356.514 2.547 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C[C@@H](C)O1 ZINC000187168892 510099803 /nfs/dbraw/zinc/09/98/03/510099803.db2.gz SXIYFHNKFDDMRS-IAGOWNOFSA-N 1 3 359.514 2.575 20 0 FFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(OCCN(C)C)cc1 ZINC000268906321 510129147 /nfs/dbraw/zinc/12/91/47/510129147.db2.gz MKNJZRGYLMNOTO-UHOSZYNNSA-N 1 3 361.530 2.925 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000268909052 510129803 /nfs/dbraw/zinc/12/98/03/510129803.db2.gz SMIJKXDTMGCNBX-IFMALSPDSA-N 1 3 358.574 2.514 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261970103 510131783 /nfs/dbraw/zinc/13/17/83/510131783.db2.gz QFBFFIGYYMCQQI-PZJWPPBQSA-N 1 3 371.525 2.556 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245833009 510158825 /nfs/dbraw/zinc/15/88/25/510158825.db2.gz AZPLWEPHRJXKBT-HDAAZOAOSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245833009 510158834 /nfs/dbraw/zinc/15/88/34/510158834.db2.gz AZPLWEPHRJXKBT-HDAAZOAOSA-N 1 3 357.542 2.929 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(CC[NH3+])n1 ZINC000262357588 510255736 /nfs/dbraw/zinc/25/57/36/510255736.db2.gz JQDQIEYRIYGTDA-QGZVFWFLSA-N 1 3 372.538 2.629 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)N(C)C)cc1 ZINC000177842928 510284308 /nfs/dbraw/zinc/28/43/08/510284308.db2.gz VVCMMMISCYIGCF-ICSRJNTNSA-N 1 3 360.546 2.835 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)N(C)C)cc1 ZINC000177842928 510284313 /nfs/dbraw/zinc/28/43/13/510284313.db2.gz VVCMMMISCYIGCF-ICSRJNTNSA-N 1 3 360.546 2.835 20 0 FFADHO CCOC[C@@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246095899 510289066 /nfs/dbraw/zinc/28/90/66/510289066.db2.gz AIVUJFCYJJFVPU-UYAOXDASSA-N 1 3 373.541 2.514 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC000269303599 510332536 /nfs/dbraw/zinc/33/25/36/510332536.db2.gz RVXMEDZERGHFPS-NRFANRHFSA-N 1 3 366.509 2.505 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCC[C@H](C)C1)CC2 ZINC000246177353 510340328 /nfs/dbraw/zinc/34/03/28/510340328.db2.gz LPUXSYUMSVHOSR-OKYOBFRVSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCC[C@H](C)C1)CC2 ZINC000246177353 510340336 /nfs/dbraw/zinc/34/03/36/510340336.db2.gz LPUXSYUMSVHOSR-OKYOBFRVSA-N 1 3 350.551 2.764 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)Cc1ccccc1 ZINC000262674214 510362526 /nfs/dbraw/zinc/36/25/26/510362526.db2.gz QLGXRKFZGQVWNN-LEWJYISDSA-N 1 3 351.494 2.537 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)Cc1ccccc1 ZINC000262674214 510362531 /nfs/dbraw/zinc/36/25/31/510362531.db2.gz QLGXRKFZGQVWNN-LEWJYISDSA-N 1 3 351.494 2.537 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262739862 510392070 /nfs/dbraw/zinc/39/20/70/510392070.db2.gz JFZCJDWCNUIIMQ-IBGZPJMESA-N 1 3 369.513 2.532 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178041342 510396515 /nfs/dbraw/zinc/39/65/15/510396515.db2.gz CUWZCLPHXKHFKL-KURKYZTESA-N 1 3 357.502 2.807 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1(C)C ZINC000262802225 510418472 /nfs/dbraw/zinc/41/84/72/510418472.db2.gz RKHMUXPIAXYWQU-SFGWALBWSA-N 1 3 373.541 2.642 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1(C)C ZINC000262802225 510418479 /nfs/dbraw/zinc/41/84/79/510418479.db2.gz RKHMUXPIAXYWQU-SFGWALBWSA-N 1 3 373.541 2.642 20 0 FFADHO CCN(C)c1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000190967947 510440140 /nfs/dbraw/zinc/44/01/40/510440140.db2.gz CZONVZQWZCPKEJ-UHFFFAOYSA-N 1 3 368.525 2.784 20 0 FFADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000246352417 510442280 /nfs/dbraw/zinc/44/22/80/510442280.db2.gz PGFZYBMDIJPINX-FXAWDEMLSA-N 1 3 372.557 2.805 20 0 FFADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000246352417 510442286 /nfs/dbraw/zinc/44/22/86/510442286.db2.gz PGFZYBMDIJPINX-FXAWDEMLSA-N 1 3 372.557 2.805 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000175050045 510459772 /nfs/dbraw/zinc/45/97/72/510459772.db2.gz UHAZVECLSBBWAG-NRFANRHFSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000246436676 510488373 /nfs/dbraw/zinc/48/83/73/510488373.db2.gz HLFDMYFTDIZIED-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000246436676 510488375 /nfs/dbraw/zinc/48/83/75/510488375.db2.gz HLFDMYFTDIZIED-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000246443110 510492757 /nfs/dbraw/zinc/49/27/57/510492757.db2.gz DOHKKAHERQSWDN-HNBVOPMISA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000246443110 510492763 /nfs/dbraw/zinc/49/27/63/510492763.db2.gz DOHKKAHERQSWDN-HNBVOPMISA-N 1 3 358.530 2.774 20 0 FFADHO O=C(CCC1CC[NH2+]CC1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000263033214 510528657 /nfs/dbraw/zinc/52/86/57/510528657.db2.gz SBGOZVBKIXCDBI-UHFFFAOYSA-N 1 3 359.514 2.557 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194834675 510550105 /nfs/dbraw/zinc/55/01/05/510550105.db2.gz GKXITLGHZZWBGA-AWEZNQCLSA-N 1 3 358.511 2.600 20 0 FFADHO C[C@H](NCCNC(=O)c1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000178452035 510611861 /nfs/dbraw/zinc/61/18/61/510611861.db2.gz IIINUHKZVKSRHL-INIZCTEOSA-N 1 3 373.472 2.847 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000191416223 510648969 /nfs/dbraw/zinc/64/89/69/510648969.db2.gz GJDLQEYSTITBMR-LJQANCHMSA-N 1 3 370.545 2.676 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000191416223 510648977 /nfs/dbraw/zinc/64/89/77/510648977.db2.gz GJDLQEYSTITBMR-LJQANCHMSA-N 1 3 370.545 2.676 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000191416205 510649133 /nfs/dbraw/zinc/64/91/33/510649133.db2.gz GJDLQEYSTITBMR-IBGZPJMESA-N 1 3 370.545 2.676 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000191416205 510649142 /nfs/dbraw/zinc/64/91/42/510649142.db2.gz GJDLQEYSTITBMR-IBGZPJMESA-N 1 3 370.545 2.676 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000246754880 510655394 /nfs/dbraw/zinc/65/53/94/510655394.db2.gz HJUZXCOOQNHTAK-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000246754880 510655398 /nfs/dbraw/zinc/65/53/98/510655398.db2.gz HJUZXCOOQNHTAK-QHAWAJNXSA-N 1 3 370.541 2.777 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000175479325 510659176 /nfs/dbraw/zinc/65/91/76/510659176.db2.gz FZYANCXEPJLWON-AQNXPRMDSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+](C)CC1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCCC1 ZINC000185057967 510660492 /nfs/dbraw/zinc/66/04/92/510660492.db2.gz ANGXXQGKORGMJR-UHFFFAOYSA-N 1 3 373.545 2.719 20 0 FFADHO C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000266565011 510661767 /nfs/dbraw/zinc/66/17/67/510661767.db2.gz WBJIIMHQIUVHHF-SFHVURJKSA-N 1 3 370.541 2.919 20 0 FFADHO CCN1CC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246819304 510693361 /nfs/dbraw/zinc/69/33/61/510693361.db2.gz BBRYFCZHTJAMCM-JTHBVZDNSA-N 1 3 372.601 2.904 20 0 FFADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCC(C)CC1 ZINC000175687633 510734582 /nfs/dbraw/zinc/73/45/82/510734582.db2.gz XPOUVGJFSGPAIX-KRWDZBQOSA-N 1 3 350.551 2.813 20 0 FFADHO NC1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000178731275 510743086 /nfs/dbraw/zinc/74/30/86/510743086.db2.gz KQMZYEUFSAQDCV-UHFFFAOYSA-N 1 3 363.505 2.511 20 0 FFADHO COCOc1ccc(OC)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000270315147 510756870 /nfs/dbraw/zinc/75/68/70/510756870.db2.gz GXWLDXXLMGQVMT-IRXDYDNUSA-N 1 3 366.502 2.657 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000175785575 510790515 /nfs/dbraw/zinc/79/05/15/510790515.db2.gz RAZAYOWSFICZGY-UXHICEINSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCN(C)C2CC2)CC1 ZINC000185402919 510836208 /nfs/dbraw/zinc/83/62/08/510836208.db2.gz NNHLKOAASVRSRX-KRWDZBQOSA-N 1 3 358.530 2.948 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247240554 510853869 /nfs/dbraw/zinc/85/38/69/510853869.db2.gz ZXNRHVRCNCXTPD-HSALFYBXSA-N 1 3 358.530 2.823 20 0 FFADHO CN(CCOCC[NH3+])Cc1ccc(Br)cc1C(F)(F)F ZINC000629660992 522380374 /nfs/dbraw/zinc/38/03/74/522380374.db2.gz AOJSFHBYGWWRFT-UHFFFAOYSA-N 1 3 355.198 2.875 20 0 FFADHO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C[C@@H](C)O1 ZINC000360927867 510967218 /nfs/dbraw/zinc/96/72/18/510967218.db2.gz POUIXMPWAAPFAW-QZTJIDSGSA-N 1 3 373.541 2.710 20 0 FFADHO CO[C@H]1CCCN(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000360996791 510977374 /nfs/dbraw/zinc/97/73/74/510977374.db2.gz DWNRRNNRBRHQSA-NRFANRHFSA-N 1 3 373.541 2.530 20 0 FFADHO CO[C@H]1CCCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000360996791 510977377 /nfs/dbraw/zinc/97/73/77/510977377.db2.gz DWNRRNNRBRHQSA-NRFANRHFSA-N 1 3 373.541 2.530 20 0 FFADHO CO[C@H]1CCC[N@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000360996791 510977379 /nfs/dbraw/zinc/97/73/79/510977379.db2.gz DWNRRNNRBRHQSA-NRFANRHFSA-N 1 3 373.541 2.530 20 0 FFADHO CO[C@H]1CCC[N@@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 ZINC000360996791 510977383 /nfs/dbraw/zinc/97/73/83/510977383.db2.gz DWNRRNNRBRHQSA-NRFANRHFSA-N 1 3 373.541 2.530 20 0 FFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000282471456 510991420 /nfs/dbraw/zinc/99/14/20/510991420.db2.gz WHPZXXNGKMXKKC-INIZCTEOSA-N 1 3 373.545 2.647 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)c1cccn1C1CC[NH2+]CC1 ZINC000361717748 511083936 /nfs/dbraw/zinc/08/39/36/511083936.db2.gz HTWDZFVKZYKOQX-UHFFFAOYSA-N 1 3 366.509 2.591 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282771783 511105572 /nfs/dbraw/zinc/10/55/72/511105572.db2.gz WVOXJRIZKFIOKW-UHFFFAOYSA-N 1 3 355.530 2.513 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000289702019 511111622 /nfs/dbraw/zinc/11/16/22/511111622.db2.gz GCQACCPABKWKRI-UHFFFAOYSA-N 1 3 355.530 2.639 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000364848659 511113621 /nfs/dbraw/zinc/11/36/21/511113621.db2.gz BQTJOAHLJVHMMG-HLLBOEOZSA-N 1 3 369.431 2.814 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000282800719 511116772 /nfs/dbraw/zinc/11/67/72/511116772.db2.gz XENKATAYULSGFZ-JOCHJYFZSA-N 1 3 359.558 2.848 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1cccc(C(F)(F)F)c1 ZINC000298239476 511220033 /nfs/dbraw/zinc/22/00/33/511220033.db2.gz CCCMFIMAUHPVOT-MRXNPFEDSA-N 1 3 358.404 2.662 20 0 FFADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000271508301 511227689 /nfs/dbraw/zinc/22/76/89/511227689.db2.gz ODNUGKKJGPVYTH-KRWDZBQOSA-N 1 3 373.497 2.999 20 0 FFADHO C[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000271533899 511236086 /nfs/dbraw/zinc/23/60/86/511236086.db2.gz RLPGGCMOESYULN-XJABCFGWSA-N 1 3 372.509 2.762 20 0 FFADHO C[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000271533898 511236856 /nfs/dbraw/zinc/23/68/56/511236856.db2.gz RLPGGCMOESYULN-WEYGHZABSA-N 1 3 372.509 2.762 20 0 FFADHO O=S(=O)(CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000295049290 511264180 /nfs/dbraw/zinc/26/41/80/511264180.db2.gz QDHHWIMUEPXDBG-HOTGVXAUSA-N 1 3 356.919 2.720 20 0 FFADHO O=S(=O)(CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000295049290 511264182 /nfs/dbraw/zinc/26/41/82/511264182.db2.gz QDHHWIMUEPXDBG-HOTGVXAUSA-N 1 3 356.919 2.720 20 0 FFADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271742124 511307305 /nfs/dbraw/zinc/30/73/05/511307305.db2.gz FOGBHOKWGWVAII-BRWVUGGUSA-N 1 3 367.559 2.743 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cccc(Br)c1F ZINC000295228637 511329694 /nfs/dbraw/zinc/32/96/94/511329694.db2.gz RRDUWOOCYODAPD-AWEZNQCLSA-N 1 3 359.283 2.915 20 0 FFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cccc(Br)c1F ZINC000295228637 511329695 /nfs/dbraw/zinc/32/96/95/511329695.db2.gz RRDUWOOCYODAPD-AWEZNQCLSA-N 1 3 359.283 2.915 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000365276385 511356292 /nfs/dbraw/zinc/35/62/92/511356292.db2.gz RDDNAIPOHMDLEL-DENIHFKCSA-N 1 3 367.541 2.639 20 0 FFADHO C[C@@H]1COCC[C@H]1NCc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1F ZINC000295994892 511582481 /nfs/dbraw/zinc/58/24/81/511582481.db2.gz MFMDTABXYPTSOG-XWYPRVOQSA-N 1 3 350.478 2.855 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCc3ccccc3NC2=O)[C@@H](C)C1 ZINC000299396382 511620201 /nfs/dbraw/zinc/62/02/01/511620201.db2.gz RWKRQLQJHHFWKR-QRFRQXIXSA-N 1 3 359.514 2.667 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1F ZINC000311400094 511776500 /nfs/dbraw/zinc/77/65/00/511776500.db2.gz RHJZEMXWHRGREL-MOPGFXCFSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1F ZINC000311400094 511776506 /nfs/dbraw/zinc/77/65/06/511776506.db2.gz RHJZEMXWHRGREL-MOPGFXCFSA-N 1 3 358.457 2.677 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000292987835 511797092 /nfs/dbraw/zinc/79/70/92/511797092.db2.gz MRMPBLSTXYZDCE-UHFFFAOYSA-N 1 3 360.527 2.941 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955956 511817238 /nfs/dbraw/zinc/81/72/38/511817238.db2.gz IFSRUPIRAABTPY-JSGCOSHPSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955956 511817242 /nfs/dbraw/zinc/81/72/42/511817242.db2.gz IFSRUPIRAABTPY-JSGCOSHPSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955956 511817247 /nfs/dbraw/zinc/81/72/47/511817247.db2.gz IFSRUPIRAABTPY-JSGCOSHPSA-N 1 3 359.297 2.807 20 0 FFADHO COC[C@@]1(C)CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296728576 511872574 /nfs/dbraw/zinc/87/25/74/511872574.db2.gz NXPHQVUVUQHXCA-AVRDEDQJSA-N 1 3 373.541 2.514 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN[C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000274644921 511897728 /nfs/dbraw/zinc/89/77/28/511897728.db2.gz LTKAAVFISHACLA-NHCUHLMSSA-N 1 3 369.509 2.509 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274907707 511983986 /nfs/dbraw/zinc/98/39/86/511983986.db2.gz MNAMVMMXGSYGNR-NNWRFLSQSA-N 1 3 371.569 2.988 20 0 FFADHO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1F ZINC000364229216 512032521 /nfs/dbraw/zinc/03/25/21/512032521.db2.gz WOWFFNOQJBBBBF-SJLPKXTDSA-N 1 3 363.521 2.771 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000364303926 512077891 /nfs/dbraw/zinc/07/78/91/512077891.db2.gz OKZJLBYSCYPDPK-PWRODBHTSA-N 1 3 370.541 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000364303926 512077892 /nfs/dbraw/zinc/07/78/92/512077892.db2.gz OKZJLBYSCYPDPK-PWRODBHTSA-N 1 3 370.541 2.823 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1)C(C)C ZINC000366549763 512082889 /nfs/dbraw/zinc/08/28/89/512082889.db2.gz FSUPYWAYAOFDRC-NRFANRHFSA-N 1 3 373.541 2.900 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1)C(C)C ZINC000366549763 512082894 /nfs/dbraw/zinc/08/28/94/512082894.db2.gz FSUPYWAYAOFDRC-NRFANRHFSA-N 1 3 373.541 2.900 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000369515637 512449269 /nfs/dbraw/zinc/44/92/69/512449269.db2.gz AIKMFLVWLODPNW-CGXNFDGLSA-N 1 3 351.579 2.664 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000369515637 512449272 /nfs/dbraw/zinc/44/92/72/512449272.db2.gz AIKMFLVWLODPNW-CGXNFDGLSA-N 1 3 351.579 2.664 20 0 FFADHO CN(C)[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1 ZINC000411146233 512489878 /nfs/dbraw/zinc/48/98/78/512489878.db2.gz NDDUBAIFDMDJTC-OALUTQOASA-N 1 3 361.555 2.623 20 0 FFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000367597565 512577235 /nfs/dbraw/zinc/57/72/35/512577235.db2.gz BTXYYEIMHYCIDS-CGXNFDGLSA-N 1 3 355.526 2.683 20 0 FFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000367597565 512577241 /nfs/dbraw/zinc/57/72/41/512577241.db2.gz BTXYYEIMHYCIDS-CGXNFDGLSA-N 1 3 355.526 2.683 20 0 FFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000367597568 512577813 /nfs/dbraw/zinc/57/78/13/512577813.db2.gz BTXYYEIMHYCIDS-IVAOSVALSA-N 1 3 355.526 2.683 20 0 FFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000367597568 512577815 /nfs/dbraw/zinc/57/78/15/512577815.db2.gz BTXYYEIMHYCIDS-IVAOSVALSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn2)C[C@@H](C)O1 ZINC000367759684 512651108 /nfs/dbraw/zinc/65/11/08/512651108.db2.gz ZFJXWWBIZAOGMR-YKXHTNLXSA-N 1 3 358.530 2.658 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cn2)C[C@@H](C)O1 ZINC000367759684 512651114 /nfs/dbraw/zinc/65/11/14/512651114.db2.gz ZFJXWWBIZAOGMR-YKXHTNLXSA-N 1 3 358.530 2.658 20 0 FFADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cn2)C[C@@H](C)O1 ZINC000367759684 512651119 /nfs/dbraw/zinc/65/11/19/512651119.db2.gz ZFJXWWBIZAOGMR-YKXHTNLXSA-N 1 3 358.530 2.658 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000411480544 512655915 /nfs/dbraw/zinc/65/59/15/512655915.db2.gz WCCRBLYEZGAXIV-QGZVFWFLSA-N 1 3 369.513 2.512 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000369944896 512693182 /nfs/dbraw/zinc/69/31/82/512693182.db2.gz STQYNVJDLFTTFR-SJLPKXTDSA-N 1 3 358.530 2.843 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374278086 512742375 /nfs/dbraw/zinc/74/23/75/512742375.db2.gz OJMXQIHLGBCRLX-IRLDBZIGSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374278086 512742380 /nfs/dbraw/zinc/74/23/80/512742380.db2.gz OJMXQIHLGBCRLX-IRLDBZIGSA-N 1 3 372.557 2.882 20 0 FFADHO CN1CCC2(CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374318939 512764607 /nfs/dbraw/zinc/76/46/07/512764607.db2.gz UATLDKHCPIIRKY-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO CN1CCC2(CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374318939 512764613 /nfs/dbraw/zinc/76/46/13/512764613.db2.gz UATLDKHCPIIRKY-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411720141 512778177 /nfs/dbraw/zinc/77/81/77/512778177.db2.gz PKMZAXKHAPLMIN-DENIHFKCSA-N 1 3 357.542 2.968 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000372434420 512872714 /nfs/dbraw/zinc/87/27/14/512872714.db2.gz BJYLUBFMPYMTMB-KZNAEPCWSA-N 1 3 350.551 2.623 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)cc2)CC1 ZINC000376561775 512874977 /nfs/dbraw/zinc/87/49/77/512874977.db2.gz JJOQXELEHRZYGQ-RXVVDRJESA-N 1 3 370.541 2.527 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114426 512914630 /nfs/dbraw/zinc/91/46/30/512914630.db2.gz GOCFSWOKWDEFKQ-TZMCWYRMSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114426 512914633 /nfs/dbraw/zinc/91/46/33/512914633.db2.gz GOCFSWOKWDEFKQ-TZMCWYRMSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114426 512914636 /nfs/dbraw/zinc/91/46/36/512914636.db2.gz GOCFSWOKWDEFKQ-TZMCWYRMSA-N 1 3 359.297 2.807 20 0 FFADHO OC1(C[NH2+][C@@H]2CCCC23CCOCC3)CCN(Cc2ccccc2)CC1 ZINC000397509504 512946270 /nfs/dbraw/zinc/94/62/70/512946270.db2.gz LVJPCWFCGJQQLI-HXUWFJFHSA-N 1 3 358.526 2.952 20 0 FFADHO CCOc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1O ZINC000397581206 512947980 /nfs/dbraw/zinc/94/79/80/512947980.db2.gz FFMCGPXBGUJSTR-UHFFFAOYSA-N 1 3 370.493 2.908 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@H]1N1CCN(C)CC1 ZINC000370706981 513063215 /nfs/dbraw/zinc/06/32/15/513063215.db2.gz NIFFHEMPCIHCFN-YLJYHZDGSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@H]1N1CCN(C)CC1 ZINC000370706981 513063219 /nfs/dbraw/zinc/06/32/19/513063219.db2.gz NIFFHEMPCIHCFN-YLJYHZDGSA-N 1 3 357.542 2.858 20 0 FFADHO C(CN1CC[C@@H](C2CCOCC2)C1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372861650 513078288 /nfs/dbraw/zinc/07/82/88/513078288.db2.gz XHYJXOHDLDSYDM-NHCUHLMSSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CC[C@@H](C2CCOCC2)C1)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372861650 513078293 /nfs/dbraw/zinc/07/82/93/513078293.db2.gz XHYJXOHDLDSYDM-NHCUHLMSSA-N 1 3 350.547 2.874 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000368823513 513114442 /nfs/dbraw/zinc/11/44/42/513114442.db2.gz JADUUXMDKRWBEP-LJQANCHMSA-N 1 3 365.949 2.723 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cc(C)cc(C[NH3+])c2)cc1 ZINC000424430093 513141475 /nfs/dbraw/zinc/14/14/75/513141475.db2.gz ZCEDTDRCDOIQHY-LJQANCHMSA-N 1 3 356.470 2.887 20 0 FFADHO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428651135 513153946 /nfs/dbraw/zinc/15/39/46/513153946.db2.gz XGGOKPBSFRKCGI-FQEVSTJZSA-N 1 3 370.541 2.825 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000433900661 513180584 /nfs/dbraw/zinc/18/05/84/513180584.db2.gz IZJVORRXXWXUFZ-RBUKOAKNSA-N 1 3 350.551 2.813 20 0 FFADHO CN(CC[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417748792 513195038 /nfs/dbraw/zinc/19/50/38/513195038.db2.gz SVRCUGFHOGEIDT-HOCLYGCPSA-N 1 3 372.435 2.688 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417831452 513226497 /nfs/dbraw/zinc/22/64/97/513226497.db2.gz SKTZWYYDAIIFAE-RSPOEFSDSA-N 1 3 358.530 2.714 20 0 FFADHO CCn1cncc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000417882053 513252494 /nfs/dbraw/zinc/25/24/94/513252494.db2.gz RDTCKZCCYALZRG-UHFFFAOYSA-N 1 3 355.530 2.591 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CN1Cc1ccccc1 ZINC000417884622 513254608 /nfs/dbraw/zinc/25/46/08/513254608.db2.gz XNYRPBBALSVTRU-DUXKGJEZSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N1CCc2ccccc2C1 ZINC000440203593 513272353 /nfs/dbraw/zinc/27/23/53/513272353.db2.gz BRCBOIYIOQXULR-FQEVSTJZSA-N 1 3 360.546 2.805 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000417935333 513287254 /nfs/dbraw/zinc/28/72/54/513287254.db2.gz QSMRMUKKEMSFCA-BXWFABGCSA-N 1 3 359.518 2.518 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418025873 513340322 /nfs/dbraw/zinc/34/03/22/513340322.db2.gz DVGJTWAXPJQTDW-PWRODBHTSA-N 1 3 372.557 2.830 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418027364 513341041 /nfs/dbraw/zinc/34/10/41/513341041.db2.gz GJOBPYFAVDVZPC-ICSRJNTNSA-N 1 3 360.546 2.832 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418028928 513341348 /nfs/dbraw/zinc/34/13/48/513341348.db2.gz HZZMZCVUTUPHBC-PZJWPPBQSA-N 1 3 358.530 2.538 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000446887721 513356917 /nfs/dbraw/zinc/35/69/17/513356917.db2.gz XRLOJQKIASIKEC-UHFFFAOYSA-N 1 3 360.424 2.634 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418102994 513373739 /nfs/dbraw/zinc/37/37/39/513373739.db2.gz IESRKFUMUNOXTM-ACRUOGEOSA-N 1 3 370.541 2.540 20 0 FFADHO CC1(C)CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCN1 ZINC000418151194 513392606 /nfs/dbraw/zinc/39/26/06/513392606.db2.gz FFGCRZJATBPYGW-SFHVURJKSA-N 1 3 358.530 2.681 20 0 FFADHO CC1(C)CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCN1 ZINC000418151194 513392615 /nfs/dbraw/zinc/39/26/15/513392615.db2.gz FFGCRZJATBPYGW-SFHVURJKSA-N 1 3 358.530 2.681 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)C1CC1 ZINC000418150410 513393438 /nfs/dbraw/zinc/39/34/38/513393438.db2.gz SIHHMGRBCIIJEA-IBGZPJMESA-N 1 3 358.530 2.586 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)C1CC1 ZINC000418160821 513397711 /nfs/dbraw/zinc/39/77/11/513397711.db2.gz ZIYLSVGVPUUKMP-HXUWFJFHSA-N 1 3 356.514 2.506 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000418165397 513401181 /nfs/dbraw/zinc/40/11/81/513401181.db2.gz JIHCEDJIDSNFQO-KSSFIOAISA-N 1 3 356.470 2.811 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccco1 ZINC000418169482 513402137 /nfs/dbraw/zinc/40/21/37/513402137.db2.gz PZYOVMNKVXISBP-SJLPKXTDSA-N 1 3 358.486 2.879 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NCCN1CCC2(CCCCC2)CC1 ZINC000418177782 513406232 /nfs/dbraw/zinc/40/62/32/513406232.db2.gz WJNBBMXTCHQHJV-GOSISDBHSA-N 1 3 350.551 2.864 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NCC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000418183319 513410639 /nfs/dbraw/zinc/41/06/39/513410639.db2.gz OGCQFTIKXBKFQL-INIZCTEOSA-N 1 3 352.910 2.904 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418185980 513411573 /nfs/dbraw/zinc/41/15/73/513411573.db2.gz BTJWVJSPQPPNDX-AHRSYUTCSA-N 1 3 360.546 2.867 20 0 FFADHO C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[C@H](c1ccccc1)N(C)C ZINC000418189228 513413244 /nfs/dbraw/zinc/41/32/44/513413244.db2.gz VDXSCQZHXFVIEC-PWIZWCRZSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[C@H](c1ccccc1)N(C)C ZINC000418192919 513414944 /nfs/dbraw/zinc/41/49/44/513414944.db2.gz ZETFFNSWFANJGR-PWIZWCRZSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418194984 513416218 /nfs/dbraw/zinc/41/62/18/513416218.db2.gz PKBIWYFZNJNNKD-QUCCMNQESA-N 1 3 360.546 2.787 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418215677 513425379 /nfs/dbraw/zinc/42/53/79/513425379.db2.gz YSHYWGAFAGZRLV-IEZWGBDMSA-N 1 3 362.518 2.503 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418227242 513430841 /nfs/dbraw/zinc/43/08/41/513430841.db2.gz CCCHOWRHKIPTQC-SJLPKXTDSA-N 1 3 362.543 2.547 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000418235684 513434410 /nfs/dbraw/zinc/43/44/10/513434410.db2.gz SSOMCGSWLIRTNU-VMBOVVBDSA-N 1 3 350.532 2.580 20 0 FFADHO O=C(NCCC[NH2+]C1CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418281155 513450305 /nfs/dbraw/zinc/45/03/05/513450305.db2.gz CPBYONCCPIGGEO-QFIPXVFZSA-N 1 3 370.541 2.826 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC2([NH3+])CCCCCC2)o1 ZINC000418289501 513453573 /nfs/dbraw/zinc/45/35/73/513453573.db2.gz XZLBZPDPCKPPCN-UHFFFAOYSA-N 1 3 350.507 2.713 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@H](C)C1 ZINC000415883243 513462455 /nfs/dbraw/zinc/46/24/55/513462455.db2.gz NBRWFEOSVPZQCE-OXQOHEQNSA-N 1 3 374.529 2.591 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@H](C)C1 ZINC000415883243 513462460 /nfs/dbraw/zinc/46/24/60/513462460.db2.gz NBRWFEOSVPZQCE-OXQOHEQNSA-N 1 3 374.529 2.591 20 0 FFADHO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000447390308 513463590 /nfs/dbraw/zinc/46/35/90/513463590.db2.gz FZJMVERLUORWBC-TZIWHRDSSA-N 1 3 361.530 2.687 20 0 FFADHO CCC[C@]1(COC)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000447390308 513463595 /nfs/dbraw/zinc/46/35/95/513463595.db2.gz FZJMVERLUORWBC-TZIWHRDSSA-N 1 3 361.530 2.687 20 0 FFADHO C[NH2+]CCNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418330702 513467865 /nfs/dbraw/zinc/46/78/65/513467865.db2.gz PKJYFRIYUKKSGJ-UHFFFAOYSA-N 1 3 354.498 2.550 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000418345762 513476138 /nfs/dbraw/zinc/47/61/38/513476138.db2.gz PHPVDAABKISOQH-LMDPOFIKSA-N 1 3 350.551 2.528 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418369575 513485577 /nfs/dbraw/zinc/48/55/77/513485577.db2.gz NRAODAPIFSHKPA-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000415941764 513489366 /nfs/dbraw/zinc/48/93/66/513489366.db2.gz XGUHFHTYLBOWEP-LJQANCHMSA-N 1 3 368.481 2.810 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418390777 513492931 /nfs/dbraw/zinc/49/29/31/513492931.db2.gz UAPPHEAYFOENRS-TZIWHRDSSA-N 1 3 358.530 2.667 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415949158 513493864 /nfs/dbraw/zinc/49/38/64/513493864.db2.gz BIOJQKOWJVAWNQ-GFCCVEGCSA-N 1 3 358.408 2.970 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415949158 513493869 /nfs/dbraw/zinc/49/38/69/513493869.db2.gz BIOJQKOWJVAWNQ-GFCCVEGCSA-N 1 3 358.408 2.970 20 0 FFADHO CCCN(C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418414533 513500615 /nfs/dbraw/zinc/50/06/15/513500615.db2.gz ZXLNGCDNMFSNIM-WOJBJXKFSA-N 1 3 358.530 2.810 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000441281513 513529822 /nfs/dbraw/zinc/52/98/22/513529822.db2.gz FSTAKJOVRPNLQD-CVAIRZPRSA-N 1 3 358.530 2.776 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000441281513 513529827 /nfs/dbraw/zinc/52/98/27/513529827.db2.gz FSTAKJOVRPNLQD-CVAIRZPRSA-N 1 3 358.530 2.776 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416004180 513533990 /nfs/dbraw/zinc/53/39/90/513533990.db2.gz IDUSPUGCPBHGSK-MRXNPFEDSA-N 1 3 372.435 2.572 20 0 FFADHO CCN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418548227 513552639 /nfs/dbraw/zinc/55/26/39/513552639.db2.gz KMTSSHJLSBICSA-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO CC[NH2+]CC1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000435376086 513569013 /nfs/dbraw/zinc/56/90/13/513569013.db2.gz PJYWPUHYGORKRW-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451187188 513576027 /nfs/dbraw/zinc/57/60/27/513576027.db2.gz OSJUPKINDRGHSA-CBGDNZLLSA-N 1 3 355.526 2.996 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000418610352 513577040 /nfs/dbraw/zinc/57/70/40/513577040.db2.gz UGKMGDZOBBBEHK-BKVYNOPKSA-N 1 3 350.551 2.669 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425473217 513585309 /nfs/dbraw/zinc/58/53/09/513585309.db2.gz KJDMVWGRGAJLPN-JSXRDJHFSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C)[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000416130111 513585903 /nfs/dbraw/zinc/58/59/03/513585903.db2.gz WZOTWPAVWPSEBL-JOCHJYFZSA-N 1 3 365.521 2.724 20 0 FFADHO CN(C)[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000416130111 513585908 /nfs/dbraw/zinc/58/59/08/513585908.db2.gz WZOTWPAVWPSEBL-JOCHJYFZSA-N 1 3 365.521 2.724 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000430221851 513591300 /nfs/dbraw/zinc/59/13/00/513591300.db2.gz UNMWXQWWXVPCBW-KCZVDYSFSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@]3(C)CCC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000430221851 513591308 /nfs/dbraw/zinc/59/13/08/513591308.db2.gz UNMWXQWWXVPCBW-KCZVDYSFSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418710104 513618786 /nfs/dbraw/zinc/61/87/86/513618786.db2.gz DQJXJCNVCWRGOY-JQFCIGGWSA-N 1 3 352.910 2.759 20 0 FFADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418713405 513619857 /nfs/dbraw/zinc/61/98/57/513619857.db2.gz XYCKYVVDXBDBMS-OLZOCXBDSA-N 1 3 360.424 2.514 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416174981 513623645 /nfs/dbraw/zinc/62/36/45/513623645.db2.gz CZVYGHKEJOHTSS-IBGZPJMESA-N 1 3 357.542 2.919 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416174981 513623648 /nfs/dbraw/zinc/62/36/48/513623648.db2.gz CZVYGHKEJOHTSS-IBGZPJMESA-N 1 3 357.542 2.919 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425578932 513648708 /nfs/dbraw/zinc/64/87/08/513648708.db2.gz ZQHSWGBQTWSKFZ-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425578932 513648713 /nfs/dbraw/zinc/64/87/13/513648713.db2.gz ZQHSWGBQTWSKFZ-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418780247 513655311 /nfs/dbraw/zinc/65/53/11/513655311.db2.gz BPONJWHEQQLSHV-NCYKPQTJSA-N 1 3 370.541 2.681 20 0 FFADHO COCC[C@@]1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC[NH2+]C1 ZINC000435726586 513670296 /nfs/dbraw/zinc/67/02/96/513670296.db2.gz RBCOECLYKSNBFH-NRFANRHFSA-N 1 3 370.497 2.990 20 0 FFADHO C[NH+]1CCC(CNC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000442169273 513679401 /nfs/dbraw/zinc/67/94/01/513679401.db2.gz VQUPUNIMUFRDDG-UHFFFAOYSA-N 1 3 350.551 2.674 20 0 FFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000430579046 513694961 /nfs/dbraw/zinc/69/49/61/513694961.db2.gz QEZMZOKMIAPOOU-OAHLLOKOSA-N 1 3 365.493 2.503 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425684914 513702726 /nfs/dbraw/zinc/70/27/26/513702726.db2.gz RGGUURQGCDQJLA-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425684914 513702730 /nfs/dbraw/zinc/70/27/30/513702730.db2.gz RGGUURQGCDQJLA-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000425692688 513705185 /nfs/dbraw/zinc/70/51/85/513705185.db2.gz QDBAHCPCTBMNSL-BVOGOJNSSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000425692688 513705193 /nfs/dbraw/zinc/70/51/93/513705193.db2.gz QDBAHCPCTBMNSL-BVOGOJNSSA-N 1 3 370.541 2.775 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448255020 513721052 /nfs/dbraw/zinc/72/10/52/513721052.db2.gz HSZJZYYEHCRVFK-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000436287719 513816954 /nfs/dbraw/zinc/81/69/54/513816954.db2.gz JVJUIHOWWVZECD-IKJBURDNSA-N 1 3 367.493 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000436287719 513816959 /nfs/dbraw/zinc/81/69/59/513816959.db2.gz JVJUIHOWWVZECD-IKJBURDNSA-N 1 3 367.493 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000436287719 513816965 /nfs/dbraw/zinc/81/69/65/513816965.db2.gz JVJUIHOWWVZECD-IKJBURDNSA-N 1 3 367.493 2.810 20 0 FFADHO C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)N(C)C1CC1 ZINC000442960007 513829190 /nfs/dbraw/zinc/82/91/90/513829190.db2.gz ATGGHBIGLSDUGF-LRXVAGHRSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)N(C)C1CC1 ZINC000442960007 513829191 /nfs/dbraw/zinc/82/91/91/513829191.db2.gz ATGGHBIGLSDUGF-LRXVAGHRSA-N 1 3 355.526 2.888 20 0 FFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])N1CCCCC1 ZINC000422717985 513911955 /nfs/dbraw/zinc/91/19/55/513911955.db2.gz WNILCGLLVBGZRJ-NBYUQASBSA-N 1 3 361.530 2.564 20 0 FFADHO O[C@@H]1CC[C@@H]2CN(C/C=C\C[N@@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705438 513924987 /nfs/dbraw/zinc/92/49/87/513924987.db2.gz YRELBLDHNBVZBR-NNVZVNJHSA-N 1 3 362.558 2.508 20 0 FFADHO O[C@@H]1CC[C@@H]2CN(C/C=C\C[N@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705438 513924991 /nfs/dbraw/zinc/92/49/91/513924991.db2.gz YRELBLDHNBVZBR-NNVZVNJHSA-N 1 3 362.558 2.508 20 0 FFADHO O[C@@H]1CC[C@@H]2C[N@H+](C/C=C\CN3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705438 513924995 /nfs/dbraw/zinc/92/49/95/513924995.db2.gz YRELBLDHNBVZBR-NNVZVNJHSA-N 1 3 362.558 2.508 20 0 FFADHO O[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\CN3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451705438 513924997 /nfs/dbraw/zinc/92/49/97/513924997.db2.gz YRELBLDHNBVZBR-NNVZVNJHSA-N 1 3 362.558 2.508 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000422787496 513931933 /nfs/dbraw/zinc/93/19/33/513931933.db2.gz MIWMNJAQBVFUJA-LAUBAEHRSA-N 1 3 354.498 2.573 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000422825623 513944626 /nfs/dbraw/zinc/94/46/26/513944626.db2.gz JVVKUXGVNIBMTQ-SNRMKQJTSA-N 1 3 350.466 2.867 20 0 FFADHO OC1CCN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422832364 513946150 /nfs/dbraw/zinc/94/61/50/513946150.db2.gz FXDKTZHCQNDPBD-BHIFYINESA-N 1 3 357.542 2.654 20 0 FFADHO COC[C@@H](CCC[NH3+])NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422842167 513949478 /nfs/dbraw/zinc/94/94/78/513949478.db2.gz FCZGCWMYSLISFE-LJQANCHMSA-N 1 3 359.445 2.922 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000422856787 513952966 /nfs/dbraw/zinc/95/29/66/513952966.db2.gz GLSGMNMOORIHJY-QZTJIDSGSA-N 1 3 367.541 2.710 20 0 FFADHO Brc1ccc(C2(C[NH2+]C3CCNCC3)CCOCC2)cc1 ZINC000422877284 513961002 /nfs/dbraw/zinc/96/10/02/513961002.db2.gz HRJOCIAUZNRTHJ-UHFFFAOYSA-N 1 3 353.304 2.839 20 0 FFADHO Brc1ccc(C2(CNC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000422877284 513961010 /nfs/dbraw/zinc/96/10/10/513961010.db2.gz HRJOCIAUZNRTHJ-UHFFFAOYSA-N 1 3 353.304 2.839 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000416778466 513962304 /nfs/dbraw/zinc/96/23/04/513962304.db2.gz ALZNASAOYRTGLG-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422889060 513963571 /nfs/dbraw/zinc/96/35/71/513963571.db2.gz OSWOIESEOSCLOQ-PXNSSMCTSA-N 1 3 364.965 2.830 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422893908 513965655 /nfs/dbraw/zinc/96/56/55/513965655.db2.gz RLAYNTKQADBSAX-GKCIPKSASA-N 1 3 371.456 2.920 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000414081835 513969053 /nfs/dbraw/zinc/96/90/53/513969053.db2.gz VNFZNNGFLXSRKT-GOSISDBHSA-N 1 3 368.525 2.558 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCOc3c(CC)cccc32)CC[NH2+]CC1 ZINC000422943430 513984772 /nfs/dbraw/zinc/98/47/72/513984772.db2.gz KGVDFDIFLORORI-MAUKXSAKSA-N 1 3 360.498 2.984 20 0 FFADHO O=C(NCCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422953549 513989780 /nfs/dbraw/zinc/98/97/80/513989780.db2.gz FPAIVZVWBDMXLG-JXFKEZNVSA-N 1 3 371.506 2.714 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422956651 513990431 /nfs/dbraw/zinc/99/04/31/513990431.db2.gz QAYIQAKIBINEHF-MRXNPFEDSA-N 1 3 368.529 2.947 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422958279 513992220 /nfs/dbraw/zinc/99/22/20/513992220.db2.gz OYEVWJYXMULOBQ-OAHLLOKOSA-N 1 3 352.482 2.869 20 0 FFADHO CCCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000416838090 513994091 /nfs/dbraw/zinc/99/40/91/513994091.db2.gz ISULOXPSLKRKDM-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000416847691 513999659 /nfs/dbraw/zinc/99/96/59/513999659.db2.gz VXBXOWURGKWMJE-NJYVYQBISA-N 1 3 370.541 2.825 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)N(C)C)cc1OC ZINC000422990204 514000436 /nfs/dbraw/zinc/00/04/36/514000436.db2.gz NGLXDUWDUYLMGO-DBVUQKKJSA-N 1 3 371.525 2.855 20 0 FFADHO COc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1OC ZINC000422990204 514000444 /nfs/dbraw/zinc/00/04/44/514000444.db2.gz NGLXDUWDUYLMGO-DBVUQKKJSA-N 1 3 371.525 2.855 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000416848884 514001226 /nfs/dbraw/zinc/00/12/26/514001226.db2.gz XHUUASNRSRERNL-HSALFYBXSA-N 1 3 358.530 2.711 20 0 FFADHO Cc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CCC2)o1 ZINC000414188088 514003798 /nfs/dbraw/zinc/00/37/98/514003798.db2.gz ITXDESVZQXXOEP-FQEVSTJZSA-N 1 3 361.530 2.815 20 0 FFADHO CC(C)C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccn1 ZINC000414206278 514010480 /nfs/dbraw/zinc/01/04/80/514010480.db2.gz YDBNJWJCHKAZRV-FQEVSTJZSA-N 1 3 360.546 2.555 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cc(Cl)cc3c2OCC3)CC[NH2+]CC1 ZINC000423034803 514014073 /nfs/dbraw/zinc/01/40/73/514014073.db2.gz IKHGFFFNBATEHD-ZDUSSCGKSA-N 1 3 366.889 2.686 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCOc3cc(F)ccc32)CC[NH2+]CC1 ZINC000423040336 514015493 /nfs/dbraw/zinc/01/54/93/514015493.db2.gz GVAJBOHLKBTWJC-YOEHRIQHSA-N 1 3 364.461 2.950 20 0 FFADHO CN(CCCNC(=O)N1CCC2(CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000416880498 514020484 /nfs/dbraw/zinc/02/04/84/514020484.db2.gz YHMRULQOEMMJJB-UHFFFAOYSA-N 1 3 358.530 2.684 20 0 FFADHO Cc1cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)ccc1C(F)(F)F ZINC000414321991 514047156 /nfs/dbraw/zinc/04/71/56/514047156.db2.gz DXSGHENCOOXWHU-OAHLLOKOSA-N 1 3 357.420 2.691 20 0 FFADHO CS(=O)(=O)c1cc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc(C(F)(F)F)c1 ZINC000423113766 514047806 /nfs/dbraw/zinc/04/78/06/514047806.db2.gz ZARQIAIEWRSTET-GJZGRUSLSA-N 1 3 364.433 2.859 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCn1cc(Br)cn1 ZINC000423123366 514050465 /nfs/dbraw/zinc/05/04/65/514050465.db2.gz LGMANYNDYGAXRW-CZUORRHYSA-N 1 3 351.292 2.584 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(Br)cc1Cl ZINC000423146701 514060707 /nfs/dbraw/zinc/06/07/07/514060707.db2.gz PZPOGCJOQCQIKR-VZJVUDMVSA-N 1 3 361.711 2.987 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423146701 514060714 /nfs/dbraw/zinc/06/07/14/514060714.db2.gz PZPOGCJOQCQIKR-VZJVUDMVSA-N 1 3 361.711 2.987 20 0 FFADHO COc1cc(F)cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000449081654 514063497 /nfs/dbraw/zinc/06/34/97/514063497.db2.gz GXUYKFROSQMZOB-UHFFFAOYSA-N 1 3 357.473 2.872 20 0 FFADHO CCOC(=O)c1cnn(C2CC[NH+]([C@@H]3C[C@H](N)c4ccccc43)CC2)c1 ZINC000423156998 514063621 /nfs/dbraw/zinc/06/36/21/514063621.db2.gz LYHREEYVQVOGNI-RBUKOAKNSA-N 1 3 354.454 2.842 20 0 FFADHO Cc1c([C@@H](C)NCCCN2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000423187589 514074116 /nfs/dbraw/zinc/07/41/16/514074116.db2.gz YGCGPJZLXFHEQQ-OAHLLOKOSA-N 1 3 361.921 2.780 20 0 FFADHO N[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423195747 514077110 /nfs/dbraw/zinc/07/71/10/514077110.db2.gz YGCFFZZPCGXUBB-IRXDYDNUSA-N 1 3 352.320 2.883 20 0 FFADHO [NH3+][C@H]1CCC[C@@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423195747 514077115 /nfs/dbraw/zinc/07/71/15/514077115.db2.gz YGCFFZZPCGXUBB-IRXDYDNUSA-N 1 3 352.320 2.883 20 0 FFADHO C[C@H](NCCN1CC[NH2+]CC1)c1cc2cc(Br)ccc2o1 ZINC000423211045 514080522 /nfs/dbraw/zinc/08/05/22/514080522.db2.gz XTIOQEJHNKBHNF-LBPRGKRZSA-N 1 3 352.276 2.751 20 0 FFADHO COc1ccc(CCC(=O)N2CCCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420307077 514081926 /nfs/dbraw/zinc/08/19/26/514081926.db2.gz QXQBQNJQXAXXPO-FQEVSTJZSA-N 1 3 373.541 2.552 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000416976589 514083449 /nfs/dbraw/zinc/08/34/49/514083449.db2.gz OOOBEMDSHCNSGK-WCRBZPEASA-N 1 3 370.541 2.884 20 0 FFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420312822 514086579 /nfs/dbraw/zinc/08/65/79/514086579.db2.gz OYYHRVNFPGULAF-CZYKHXBRSA-N 1 3 357.542 2.522 20 0 FFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420312822 514086581 /nfs/dbraw/zinc/08/65/81/514086581.db2.gz OYYHRVNFPGULAF-CZYKHXBRSA-N 1 3 357.542 2.522 20 0 FFADHO CC(C)(C)c1nc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000420313314 514089445 /nfs/dbraw/zinc/08/94/45/514089445.db2.gz IWYXAVQDOXSICC-MRXNPFEDSA-N 1 3 350.576 2.948 20 0 FFADHO CN(C(=O)NC1CCN(CCc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416982370 514090779 /nfs/dbraw/zinc/09/07/79/514090779.db2.gz WGQFMTWWANBHBV-WCRBZPEASA-N 1 3 370.541 2.618 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000420341842 514101092 /nfs/dbraw/zinc/10/10/92/514101092.db2.gz QKEJLTRKJBOLRO-YTQUADARSA-N 1 3 351.494 2.948 20 0 FFADHO C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000420341840 514101364 /nfs/dbraw/zinc/10/13/64/514101364.db2.gz QKEJLTRKJBOLRO-QRQLOZEOSA-N 1 3 351.494 2.948 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000417005583 514112599 /nfs/dbraw/zinc/11/25/99/514112599.db2.gz DPFBHOZBLMDSEP-YRXWBPOGSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1cc(OCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)ccc1C(C)C ZINC000420373285 514114818 /nfs/dbraw/zinc/11/48/18/514114818.db2.gz FYWTZNPNPMHSHT-SFHVURJKSA-N 1 3 357.502 2.885 20 0 FFADHO Cc1cc(OCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)ccc1C(C)C ZINC000420373285 514114826 /nfs/dbraw/zinc/11/48/26/514114826.db2.gz FYWTZNPNPMHSHT-SFHVURJKSA-N 1 3 357.502 2.885 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccsc1 ZINC000417011368 514115986 /nfs/dbraw/zinc/11/59/86/514115986.db2.gz RVBQJEDDCHXPKH-DLBZAZTESA-N 1 3 352.548 2.948 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420382731 514117518 /nfs/dbraw/zinc/11/75/18/514117518.db2.gz DBPWADVTAUARHR-PMACEKPBSA-N 1 3 368.529 2.974 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000449225743 514121611 /nfs/dbraw/zinc/12/16/11/514121611.db2.gz OWTUGOGGRQCXTD-FQEVSTJZSA-N 1 3 371.525 2.704 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N1CCc2ccccc2C1 ZINC000417016598 514121796 /nfs/dbraw/zinc/12/17/96/514121796.db2.gz OCOKPMUMMBBASR-XKGZKEIXSA-N 1 3 358.530 2.592 20 0 FFADHO COCC1(CN[C@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC[NH2+]CC1 ZINC000423405624 514131020 /nfs/dbraw/zinc/13/10/20/514131020.db2.gz JSAYLWGLEAAJAD-MRXNPFEDSA-N 1 3 357.502 2.551 20 0 FFADHO COCC1(CN[C@H](C)c2ccc(-n3cncn3)cc2Cl)CC[NH2+]CC1 ZINC000423405099 514131896 /nfs/dbraw/zinc/13/18/96/514131896.db2.gz JDSMIVLHZSRMKE-CQSZACIVSA-N 1 3 363.893 2.588 20 0 FFADHO COC[C@@]1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCCN1 ZINC000423411080 514132781 /nfs/dbraw/zinc/13/27/81/514132781.db2.gz DZNTXPWBKVGNRH-PBHICJAKSA-N 1 3 353.304 2.665 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2(N3CCOCC3)CC2)CC1 ZINC000449283294 514146073 /nfs/dbraw/zinc/14/60/73/514146073.db2.gz LCFKLELHZSGSAS-IBGZPJMESA-N 1 3 357.542 2.536 20 0 FFADHO CCCN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000444188807 514150014 /nfs/dbraw/zinc/15/00/14/514150014.db2.gz LIPRIGCIMCDIPB-JAXLGGSGSA-N 1 3 355.526 2.889 20 0 FFADHO NC[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000417079643 514157254 /nfs/dbraw/zinc/15/72/54/514157254.db2.gz NJKXYEFTCPDDCG-ZCNNSNEGSA-N 1 3 352.482 2.766 20 0 FFADHO NC[C@H](NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000417079643 514157255 /nfs/dbraw/zinc/15/72/55/514157255.db2.gz NJKXYEFTCPDDCG-ZCNNSNEGSA-N 1 3 352.482 2.766 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000449311056 514157687 /nfs/dbraw/zinc/15/76/87/514157687.db2.gz IYXSBKUQMIWFRF-UIFIKXQLSA-N 1 3 362.558 2.830 20 0 FFADHO C[C@H](CNCC(=O)NCC[NH+]1CCCCCC1)c1cc(F)cc(F)c1 ZINC000449341832 514172629 /nfs/dbraw/zinc/17/26/29/514172629.db2.gz WWGGGUSNTFWDIJ-OAHLLOKOSA-N 1 3 353.457 2.650 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000449395662 514195072 /nfs/dbraw/zinc/19/50/72/514195072.db2.gz JSBZAYSJRYCAGK-DENIHFKCSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000449395662 514195082 /nfs/dbraw/zinc/19/50/82/514195082.db2.gz JSBZAYSJRYCAGK-DENIHFKCSA-N 1 3 359.558 2.518 20 0 FFADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423749867 514218394 /nfs/dbraw/zinc/21/83/94/514218394.db2.gz CQOFPXGILVTXSR-AZUAARDMSA-N 1 3 361.917 2.764 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000423769955 514224011 /nfs/dbraw/zinc/22/40/11/514224011.db2.gz CWOMQUSNJSIJOJ-CDHQVMDDSA-N 1 3 355.457 2.505 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417212114 514233581 /nfs/dbraw/zinc/23/35/81/514233581.db2.gz HPZIKUQSKDWMIT-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714096 514252455 /nfs/dbraw/zinc/25/24/55/514252455.db2.gz WZCXGRSUNSWJGC-HUUCEWRRSA-N 1 3 352.548 2.765 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714096 514252460 /nfs/dbraw/zinc/25/24/60/514252460.db2.gz WZCXGRSUNSWJGC-HUUCEWRRSA-N 1 3 352.548 2.765 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)CCCC[NH3+])c(C)c2)CC1 ZINC000414727783 514259853 /nfs/dbraw/zinc/25/98/53/514259853.db2.gz BAZUKHOYNDWTQK-QGZVFWFLSA-N 1 3 361.534 2.776 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCc2cccc(F)c2)C2CCCC2)C1 ZINC000414741763 514267512 /nfs/dbraw/zinc/26/75/12/514267512.db2.gz FRENJRNXZSWDCK-SFHVURJKSA-N 1 3 361.505 2.810 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCc2cccc(F)c2)C2CCCC2)C1 ZINC000414741763 514267517 /nfs/dbraw/zinc/26/75/17/514267517.db2.gz FRENJRNXZSWDCK-SFHVURJKSA-N 1 3 361.505 2.810 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000423873671 514273102 /nfs/dbraw/zinc/27/31/02/514273102.db2.gz AVULHXKUDQYGTI-HXUWFJFHSA-N 1 3 359.514 2.728 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000423877984 514274518 /nfs/dbraw/zinc/27/45/18/514274518.db2.gz DLHFAWZBLOOOGZ-XLIONFOSSA-N 1 3 359.514 2.728 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC1CC[NH2+]CC1 ZINC000414777688 514288193 /nfs/dbraw/zinc/28/81/93/514288193.db2.gz HEXGCBREZWRWBU-NSHDSACASA-N 1 3 367.515 2.600 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C1CCNCC1 ZINC000414777688 514288196 /nfs/dbraw/zinc/28/81/96/514288196.db2.gz HEXGCBREZWRWBU-NSHDSACASA-N 1 3 367.515 2.600 20 0 FFADHO Cc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccnn2C)c1 ZINC000414777928 514288968 /nfs/dbraw/zinc/28/89/68/514288968.db2.gz IPTVBJXUUXDJDZ-SFHVURJKSA-N 1 3 354.498 2.583 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)c(-c2ccnn2C)c1 ZINC000414777928 514288973 /nfs/dbraw/zinc/28/89/73/514288973.db2.gz IPTVBJXUUXDJDZ-SFHVURJKSA-N 1 3 354.498 2.583 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)c(-c2ccnn2C)c1 ZINC000414777928 514288979 /nfs/dbraw/zinc/28/89/79/514288979.db2.gz IPTVBJXUUXDJDZ-SFHVURJKSA-N 1 3 354.498 2.583 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000414789902 514294464 /nfs/dbraw/zinc/29/44/64/514294464.db2.gz PBPQPYPHRRHVBZ-INIZCTEOSA-N 1 3 370.444 2.526 20 0 FFADHO CCNC(=O)COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414809762 514303139 /nfs/dbraw/zinc/30/31/39/514303139.db2.gz NBBBIQBFQTWTCG-OAHLLOKOSA-N 1 3 371.481 2.520 20 0 FFADHO Cc1cc(Br)ccc1C(=O)N1CCC(NCC(C)(C)[NH3+])CC1 ZINC000414809586 514303167 /nfs/dbraw/zinc/30/31/67/514303167.db2.gz VPMKNUJNJDNLDO-UHFFFAOYSA-N 1 3 368.319 2.689 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414841612 514320191 /nfs/dbraw/zinc/32/01/91/514320191.db2.gz NOCRCTCMXIALIP-RDTXWAMCSA-N 1 3 361.486 2.688 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427917684 514346223 /nfs/dbraw/zinc/34/62/23/514346223.db2.gz ZITISSSCCWERKS-KOUHRCEDSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427917684 514346230 /nfs/dbraw/zinc/34/62/30/514346230.db2.gz ZITISSSCCWERKS-KOUHRCEDSA-N 1 3 355.526 2.840 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000420907793 514368892 /nfs/dbraw/zinc/36/88/92/514368892.db2.gz SXPZMCPCWKHVST-SOAGJPPSSA-N 1 3 358.530 2.996 20 0 FFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)CCCN1 ZINC000414954381 514374176 /nfs/dbraw/zinc/37/41/76/514374176.db2.gz LGXMQDUOQRJEDE-LRDDRELGSA-N 1 3 359.283 2.877 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000420924514 514378683 /nfs/dbraw/zinc/37/86/83/514378683.db2.gz JZQHGDJCGFPCGA-MOPGFXCFSA-N 1 3 367.578 2.845 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000420924514 514378688 /nfs/dbraw/zinc/37/86/88/514378688.db2.gz JZQHGDJCGFPCGA-MOPGFXCFSA-N 1 3 367.578 2.845 20 0 FFADHO C[C@@H]1C[C@@H](CO)CN(Cc2cccc(C[N@@H+]3C[C@H](C)C[C@H](CO)C3)c2)C1 ZINC000420947519 514395491 /nfs/dbraw/zinc/39/54/91/514395491.db2.gz TZHSCOLDWMSXPZ-YHBROIRLSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@@H](CO)CN(Cc2cccc(C[N@H+]3C[C@H](C)C[C@H](CO)C3)c2)C1 ZINC000420947519 514395495 /nfs/dbraw/zinc/39/54/95/514395495.db2.gz TZHSCOLDWMSXPZ-YHBROIRLSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2cccc(C[N@@H+]3C[C@H](C)C[C@@H](CO)C3)c2)C1 ZINC000420947519 514395499 /nfs/dbraw/zinc/39/54/99/514395499.db2.gz TZHSCOLDWMSXPZ-YHBROIRLSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2cccc(C[N@H+]3C[C@H](C)C[C@@H](CO)C3)c2)C1 ZINC000420947519 514395504 /nfs/dbraw/zinc/39/55/04/514395504.db2.gz TZHSCOLDWMSXPZ-YHBROIRLSA-N 1 3 360.542 2.587 20 0 FFADHO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCCNCC1 ZINC000417560422 514407301 /nfs/dbraw/zinc/40/73/01/514407301.db2.gz JZXBMRUGCLHUTA-UHFFFAOYSA-N 1 3 372.557 2.726 20 0 FFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2c(F)ccc(I)c2F)C1 ZINC000415033161 514408978 /nfs/dbraw/zinc/40/89/78/514408978.db2.gz IRFNOOADPWDQGC-RKDXNWHRSA-N 1 3 366.193 2.786 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)CC1 ZINC000420974478 514413668 /nfs/dbraw/zinc/41/36/68/514413668.db2.gz DUNJWIHCBXHLND-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)CC1 ZINC000420974478 514413675 /nfs/dbraw/zinc/41/36/75/514413675.db2.gz DUNJWIHCBXHLND-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000438621619 514416755 /nfs/dbraw/zinc/41/67/55/514416755.db2.gz PRCLKLLJLIQEDS-GOSISDBHSA-N 1 3 361.505 2.980 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415066965 514425827 /nfs/dbraw/zinc/42/58/27/514425827.db2.gz JRMRJPOENJWZFP-SFHVURJKSA-N 1 3 364.559 2.917 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000424319167 514455205 /nfs/dbraw/zinc/45/52/05/514455205.db2.gz RUELOEFWVTXNAQ-NRFANRHFSA-N 1 3 351.579 2.715 20 0 FFADHO C[C@H](CC1CCCCC1)CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415141822 514466280 /nfs/dbraw/zinc/46/62/80/514466280.db2.gz QBSCSQDHXSGZKW-LSTHTHJFSA-N 1 3 362.562 2.813 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC(c2ccccc2)C1 ZINC000465934496 514525108 /nfs/dbraw/zinc/52/51/08/514525108.db2.gz MTSKGWBQCYDKGP-XVAXZDLZSA-N 1 3 372.557 2.990 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC(c2ccccc2)C1 ZINC000465934496 514525111 /nfs/dbraw/zinc/52/51/11/514525111.db2.gz MTSKGWBQCYDKGP-XVAXZDLZSA-N 1 3 372.557 2.990 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000455457497 514534620 /nfs/dbraw/zinc/53/46/20/514534620.db2.gz RNKZBZITTNFQHU-XSLAUPDRSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455457497 514534629 /nfs/dbraw/zinc/53/46/29/514534629.db2.gz RNKZBZITTNFQHU-XSLAUPDRSA-N 1 3 370.541 2.775 20 0 FFADHO COc1ccc2c(c1)C[C@@H](NCc1ccccc1OCC[NH+](C)C)CO2 ZINC000453077048 514537555 /nfs/dbraw/zinc/53/75/55/514537555.db2.gz AJOIMHHQLOQTOT-GOSISDBHSA-N 1 3 356.466 2.729 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCN1C ZINC000466030933 514543349 /nfs/dbraw/zinc/54/33/49/514543349.db2.gz DJBXRQGIHQUXIS-NCXUSEDFSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCN1C ZINC000466030933 514543356 /nfs/dbraw/zinc/54/33/56/514543356.db2.gz DJBXRQGIHQUXIS-NCXUSEDFSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453116766 514549141 /nfs/dbraw/zinc/54/91/41/514549141.db2.gz YPCIMARZNBKHOL-ZHHKINOHSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453116766 514549147 /nfs/dbraw/zinc/54/91/47/514549147.db2.gz YPCIMARZNBKHOL-ZHHKINOHSA-N 1 3 357.542 2.740 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC1(N3CCCCC3)CCN(C)CC1)CO2 ZINC000453119052 514549270 /nfs/dbraw/zinc/54/92/70/514549270.db2.gz MFPLVGONANKDJK-LJQANCHMSA-N 1 3 373.541 2.539 20 0 FFADHO c1cn2c(n1)[C@H](NCCCOC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000453131953 514552949 /nfs/dbraw/zinc/55/29/49/514552949.db2.gz MEVPGCIROBMGHA-HXUWFJFHSA-N 1 3 354.498 2.989 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000466151093 514567168 /nfs/dbraw/zinc/56/71/68/514567168.db2.gz YOPUMCVVYBSEED-PKOBYXMFSA-N 1 3 362.562 2.957 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000466220733 514579803 /nfs/dbraw/zinc/57/98/03/514579803.db2.gz FCRUBRDODNEBND-OXQOHEQNSA-N 1 3 358.530 2.810 20 0 FFADHO CCOC(=O)c1cnn(C2CC[NH+](C3CCN(C(C)(C)C)CC3)CC2)c1 ZINC000453279156 514586222 /nfs/dbraw/zinc/58/62/22/514586222.db2.gz LFMMCTKHWKUHFS-UHFFFAOYSA-N 1 3 362.518 2.960 20 0 FFADHO C[N@H+](CCCCNC(=O)NCC1(N2CCSCC2)CCCC1)C1CC1 ZINC000455627173 514643763 /nfs/dbraw/zinc/64/37/63/514643763.db2.gz ZOMHBSLXKNDGDS-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO C[N@@H+](CCCCNC(=O)NCC1(N2CCSCC2)CCCC1)C1CC1 ZINC000455627173 514643774 /nfs/dbraw/zinc/64/37/74/514643774.db2.gz ZOMHBSLXKNDGDS-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000497835180 514652857 /nfs/dbraw/zinc/65/28/57/514652857.db2.gz DLLRUXPIJKRCJY-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000497835180 514652864 /nfs/dbraw/zinc/65/28/64/514652864.db2.gz DLLRUXPIJKRCJY-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000497836183 514653584 /nfs/dbraw/zinc/65/35/84/514653584.db2.gz NLRRJHVDIBRJMW-PXNSSMCTSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000497836183 514653593 /nfs/dbraw/zinc/65/35/93/514653593.db2.gz NLRRJHVDIBRJMW-PXNSSMCTSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466513175 514669794 /nfs/dbraw/zinc/66/97/94/514669794.db2.gz HHFZMDMFYHAQNO-QUCCMNQESA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466513175 514669805 /nfs/dbraw/zinc/66/98/05/514669805.db2.gz HHFZMDMFYHAQNO-QUCCMNQESA-N 1 3 370.541 2.919 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489133449 514722803 /nfs/dbraw/zinc/72/28/03/514722803.db2.gz NFIBSZPVNPCBFM-WJFTUGDTSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489133449 514722811 /nfs/dbraw/zinc/72/28/11/514722811.db2.gz NFIBSZPVNPCBFM-WJFTUGDTSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502757868 514765928 /nfs/dbraw/zinc/76/59/28/514765928.db2.gz ALKGBOAAISYRMV-NNZWXOEDSA-N 1 3 362.562 2.811 20 0 FFADHO CC(C)[NH+](CCCNC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)C(C)C ZINC000489262993 514774321 /nfs/dbraw/zinc/77/43/21/514774321.db2.gz VSHZAHZAHIECHK-OTWHNJEPSA-N 1 3 352.567 2.867 20 0 FFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000498207288 514805091 /nfs/dbraw/zinc/80/50/91/514805091.db2.gz WWWPXARZJQROPW-IRLDBZIGSA-N 1 3 372.557 2.613 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458452273 514806827 /nfs/dbraw/zinc/80/68/27/514806827.db2.gz XQSZJHBJOAFYEV-AEFFLSMTSA-N 1 3 364.559 2.795 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458452273 514806838 /nfs/dbraw/zinc/80/68/38/514806838.db2.gz XQSZJHBJOAFYEV-AEFFLSMTSA-N 1 3 364.559 2.795 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2cccc(C)c2)CC1 ZINC000466909663 514822405 /nfs/dbraw/zinc/82/24/05/514822405.db2.gz NJNWJXVHQHQACZ-QFIPXVFZSA-N 1 3 367.537 2.830 20 0 FFADHO CC[N@H+](C)CCNC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000475903326 514850266 /nfs/dbraw/zinc/85/02/66/514850266.db2.gz VUNVWQQSQANACR-LJQANCHMSA-N 1 3 360.546 2.710 20 0 FFADHO CC[N@@H+](C)CCNC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000475903326 514850270 /nfs/dbraw/zinc/85/02/70/514850270.db2.gz VUNVWQQSQANACR-LJQANCHMSA-N 1 3 360.546 2.710 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)CC[C@@H]1C)Cc1ccccc1 ZINC000502948971 514852805 /nfs/dbraw/zinc/85/28/05/514852805.db2.gz KSSQQCVFGXJFHR-ICSRJNTNSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000458576440 514916839 /nfs/dbraw/zinc/91/68/39/514916839.db2.gz JFVXEXJLLXUZAI-PWIZWCRZSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000458576440 514916843 /nfs/dbraw/zinc/91/68/43/514916843.db2.gz JFVXEXJLLXUZAI-PWIZWCRZSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000462177392 514925485 /nfs/dbraw/zinc/92/54/85/514925485.db2.gz RMKIWQFJVDUKCV-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000462177392 514925495 /nfs/dbraw/zinc/92/54/95/514925495.db2.gz RMKIWQFJVDUKCV-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508898428 514946426 /nfs/dbraw/zinc/94/64/26/514946426.db2.gz QBZDPBTUJWDVGO-YSIASYRMSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN(C2CCC2)C1 ZINC000489761214 514965000 /nfs/dbraw/zinc/96/50/00/514965000.db2.gz DQNINNNNYMYPMD-AOCRQIFASA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)(C)[NH2+]CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000498580709 514983571 /nfs/dbraw/zinc/98/35/71/514983571.db2.gz NYEDOMDNLSNZHK-MRXNPFEDSA-N 1 3 353.457 2.648 20 0 FFADHO CCN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@@H](C)C1 ZINC000467410132 514999088 /nfs/dbraw/zinc/99/90/88/514999088.db2.gz DPYHJHGKKGPUSN-MAUKXSAKSA-N 1 3 351.922 2.997 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCN3CCC[C@H](C)C3)C2)CC1 ZINC000503470138 515046086 /nfs/dbraw/zinc/04/60/86/515046086.db2.gz MGVOIFFUDZEGCB-PMACEKPBSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCN1Cc1ccccc1 ZINC000458782464 515089769 /nfs/dbraw/zinc/08/97/69/515089769.db2.gz ULYFZWWYVZUUHT-SYYKKAFVSA-N 1 3 370.541 2.777 20 0 FFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000462501530 515089919 /nfs/dbraw/zinc/08/99/19/515089919.db2.gz DNOFVHZVJPSNQB-UHFFFAOYSA-N 1 3 372.623 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCN1Cc1ccccc1 ZINC000458782464 515089778 /nfs/dbraw/zinc/08/97/78/515089778.db2.gz ULYFZWWYVZUUHT-SYYKKAFVSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000462516130 515098873 /nfs/dbraw/zinc/09/88/73/515098873.db2.gz WNCBGMUSMOKHAR-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000462516130 515098884 /nfs/dbraw/zinc/09/88/84/515098884.db2.gz WNCBGMUSMOKHAR-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000467780181 515113736 /nfs/dbraw/zinc/11/37/36/515113736.db2.gz MBDNWTDAZGINGK-SFHVURJKSA-N 1 3 374.529 2.891 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000467780181 515113748 /nfs/dbraw/zinc/11/37/48/515113748.db2.gz MBDNWTDAZGINGK-SFHVURJKSA-N 1 3 374.529 2.891 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000472172782 515156435 /nfs/dbraw/zinc/15/64/35/515156435.db2.gz NNRAKIYNUFPHTQ-OAQYLSRUSA-N 1 3 373.541 2.855 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N(C)C)cc1 ZINC000458888834 515175673 /nfs/dbraw/zinc/17/56/73/515175673.db2.gz JAOFYGQGCKIKGV-GOSISDBHSA-N 1 3 366.575 2.993 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCCC1 ZINC000481025252 515176681 /nfs/dbraw/zinc/17/66/81/515176681.db2.gz PCQZCJIGDAQAJK-MJGOQNOKSA-N 1 3 370.607 2.624 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CN1Cc1ccccc1 ZINC000499198548 515233210 /nfs/dbraw/zinc/23/32/10/515233210.db2.gz WIDREHKYKVXCTI-YXYSEUPNSA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccco1 ZINC000509579439 515243256 /nfs/dbraw/zinc/24/32/56/515243256.db2.gz VBILULFBYLCDTQ-DLBZAZTESA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccco1 ZINC000509579439 515243264 /nfs/dbraw/zinc/24/32/64/515243264.db2.gz VBILULFBYLCDTQ-DLBZAZTESA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccco1 ZINC000509592923 515249646 /nfs/dbraw/zinc/24/96/46/515249646.db2.gz BRGGNHDJGOGJQH-KSZLIROESA-N 1 3 362.518 2.979 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000499316579 515281669 /nfs/dbraw/zinc/28/16/69/515281669.db2.gz OYZQGGHFKCMAOH-AOIWGVFYSA-N 1 3 360.546 2.925 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000477052014 515302959 /nfs/dbraw/zinc/30/29/59/515302959.db2.gz XGNXYXGQXKAFSS-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000459133824 515343539 /nfs/dbraw/zinc/34/35/39/515343539.db2.gz CRQDWUHXQXNTTQ-GOSISDBHSA-N 1 3 350.482 2.602 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000459133824 515343549 /nfs/dbraw/zinc/34/35/49/515343549.db2.gz CRQDWUHXQXNTTQ-GOSISDBHSA-N 1 3 350.482 2.602 20 0 FFADHO C[N@H+](CCCCNC(=O)NC1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000454272993 515356015 /nfs/dbraw/zinc/35/60/15/515356015.db2.gz SHDMCKWZRIZCGM-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO C[N@@H+](CCCCNC(=O)NC1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000454272993 515356028 /nfs/dbraw/zinc/35/60/28/515356028.db2.gz SHDMCKWZRIZCGM-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000509913804 515366733 /nfs/dbraw/zinc/36/67/33/515366733.db2.gz DAKDFGVNBAMDFR-UHFFFAOYSA-N 1 3 372.557 2.631 20 0 FFADHO C[N@H+](CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000454340150 515413287 /nfs/dbraw/zinc/41/32/87/515413287.db2.gz MTNKTVAKKBIHTO-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000454340150 515413299 /nfs/dbraw/zinc/41/32/99/515413299.db2.gz MTNKTVAKKBIHTO-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]CC[C@H](OC)C(F)(F)F)CC1 ZINC000468606885 515433068 /nfs/dbraw/zinc/43/30/68/515433068.db2.gz HPYCKAXLELEJCJ-KRWDZBQOSA-N 1 3 359.436 2.886 20 0 FFADHO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)CN(C)C ZINC000491597658 515458501 /nfs/dbraw/zinc/45/85/01/515458501.db2.gz XUVNPTRUEOVGGD-HNNXBMFYSA-N 1 3 358.486 2.536 20 0 FFADHO CN(C)C(=O)C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459391366 515519469 /nfs/dbraw/zinc/51/94/69/515519469.db2.gz UTQWDEVJANGSTG-FQEVSTJZSA-N 1 3 352.482 2.860 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000500093464 515587107 /nfs/dbraw/zinc/58/71/07/515587107.db2.gz XMKBLFKERDLUBV-XLIONFOSSA-N 1 3 373.545 2.781 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000500093464 515587116 /nfs/dbraw/zinc/58/71/16/515587116.db2.gz XMKBLFKERDLUBV-XLIONFOSSA-N 1 3 373.545 2.781 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC000468973682 515609342 /nfs/dbraw/zinc/60/93/42/515609342.db2.gz OHMJQYSONDESHR-OAQYLSRUSA-N 1 3 374.573 2.600 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000505691127 515634339 /nfs/dbraw/zinc/63/43/39/515634339.db2.gz BELHPSXCCXULRX-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000505691127 515634347 /nfs/dbraw/zinc/63/43/47/515634347.db2.gz BELHPSXCCXULRX-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO COC(=O)c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)nc1C1CC1 ZINC000459551024 515640149 /nfs/dbraw/zinc/64/01/49/515640149.db2.gz LOPBYQTXXNHFCY-UHFFFAOYSA-N 1 3 366.465 2.899 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1 ZINC000505725915 515645749 /nfs/dbraw/zinc/64/57/49/515645749.db2.gz NVYWJUQKLYPJDT-SFHVURJKSA-N 1 3 351.922 2.757 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1 ZINC000505725915 515645760 /nfs/dbraw/zinc/64/57/60/515645760.db2.gz NVYWJUQKLYPJDT-SFHVURJKSA-N 1 3 351.922 2.757 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000505755225 515658596 /nfs/dbraw/zinc/65/85/96/515658596.db2.gz QYJLYRGEMJPKQH-PKOBYXMFSA-N 1 3 361.530 2.673 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000505755225 515658603 /nfs/dbraw/zinc/65/86/03/515658603.db2.gz QYJLYRGEMJPKQH-PKOBYXMFSA-N 1 3 361.530 2.673 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNc1ccccc1C ZINC000505802735 515678076 /nfs/dbraw/zinc/67/80/76/515678076.db2.gz RHJYJMIUBBVVDU-IBGZPJMESA-N 1 3 360.546 2.672 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNc1ccccc1C ZINC000505802735 515678083 /nfs/dbraw/zinc/67/80/83/515678083.db2.gz RHJYJMIUBBVVDU-IBGZPJMESA-N 1 3 360.546 2.672 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000500477962 515731726 /nfs/dbraw/zinc/73/17/26/515731726.db2.gz CZOPZRHDFVHSHD-QUCCMNQESA-N 1 3 373.541 2.877 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC000510970818 515732928 /nfs/dbraw/zinc/73/29/28/515732928.db2.gz SYLVQEGVEUFPNH-QUCCMNQESA-N 1 3 370.541 2.919 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)[C@H]1c1ccccc1 ZINC000510972233 515733303 /nfs/dbraw/zinc/73/33/03/515733303.db2.gz XJSINXAVYZCCJN-RBUKOAKNSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNCc2cc3c(cc2Br)OCO3)C1 ZINC000459721802 515769397 /nfs/dbraw/zinc/76/93/97/515769397.db2.gz AYLMTJOSJBUKIT-LBPRGKRZSA-N 1 3 355.276 2.999 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNCc2cc3c(cc2Br)OCO3)C1 ZINC000459721802 515769407 /nfs/dbraw/zinc/76/94/07/515769407.db2.gz AYLMTJOSJBUKIT-LBPRGKRZSA-N 1 3 355.276 2.999 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1=CCN(C)CC1 ZINC000511283872 515852628 /nfs/dbraw/zinc/85/26/28/515852628.db2.gz BTEVOUHBVGYBHK-XLIONFOSSA-N 1 3 362.562 2.981 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1=CCN(C)CC1 ZINC000511283872 515852637 /nfs/dbraw/zinc/85/26/37/515852637.db2.gz BTEVOUHBVGYBHK-XLIONFOSSA-N 1 3 362.562 2.981 20 0 FFADHO CN(C)CCOc1cc(C[NH2+]C2CC(OCc3ccccc3)C2)ccn1 ZINC000494593314 515891856 /nfs/dbraw/zinc/89/18/56/515891856.db2.gz CXZIDBZNQOOFDF-UHFFFAOYSA-N 1 3 355.482 2.859 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000487551693 515902844 /nfs/dbraw/zinc/90/28/44/515902844.db2.gz VSMUUCHEILYFMD-WIYYLYMNSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000487551693 515902851 /nfs/dbraw/zinc/90/28/51/515902851.db2.gz VSMUUCHEILYFMD-WIYYLYMNSA-N 1 3 372.557 2.675 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000457533404 515948150 /nfs/dbraw/zinc/94/81/50/515948150.db2.gz JMZZFMLKDFCCML-SFHVURJKSA-N 1 3 364.559 2.796 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000494758422 515951202 /nfs/dbraw/zinc/95/12/02/515951202.db2.gz QMURYMZOFSWNAG-NHCUHLMSSA-N 1 3 352.478 2.737 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000457543948 515957230 /nfs/dbraw/zinc/95/72/30/515957230.db2.gz UIWUEQYZPQIQIO-UHFFFAOYSA-N 1 3 352.548 2.697 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000483188985 515973991 /nfs/dbraw/zinc/97/39/91/515973991.db2.gz YINGOAHXIIDIIP-FUHWJXTLSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CN1Cc1ccccc1 ZINC000474296472 515978215 /nfs/dbraw/zinc/97/82/15/515978215.db2.gz WPJLGAPSFWAWJA-VGSWGCGISA-N 1 3 363.505 2.768 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474308612 515985041 /nfs/dbraw/zinc/98/50/41/515985041.db2.gz UVZNMIXKBIJEJG-HTAPYJJXSA-N 1 3 363.505 2.940 20 0 FFADHO C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1=CCN(C)CC1 ZINC000483217150 515990713 /nfs/dbraw/zinc/99/07/13/515990713.db2.gz CJCICUHUPUCFQI-QGZVFWFLSA-N 1 3 350.551 2.981 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000494899436 516002918 /nfs/dbraw/zinc/00/29/18/516002918.db2.gz BAEUQVFOYSDBKO-DUXKGJEZSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000487842775 516003300 /nfs/dbraw/zinc/00/33/00/516003300.db2.gz UGWINFUQYFLONR-RCCFBDPRSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000487842775 516003310 /nfs/dbraw/zinc/00/33/10/516003310.db2.gz UGWINFUQYFLONR-RCCFBDPRSA-N 1 3 350.551 2.765 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000455167567 516009341 /nfs/dbraw/zinc/00/93/41/516009341.db2.gz YCTCUDBLPOLRFN-FQEVSTJZSA-N 1 3 373.545 2.824 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000455167567 516009347 /nfs/dbraw/zinc/00/93/47/516009347.db2.gz YCTCUDBLPOLRFN-FQEVSTJZSA-N 1 3 373.545 2.824 20 0 FFADHO C(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000487921942 516032803 /nfs/dbraw/zinc/03/28/03/516032803.db2.gz WYCXJNCXMKQBCV-UWHLTILDSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000487921942 516032811 /nfs/dbraw/zinc/03/28/11/516032811.db2.gz WYCXJNCXMKQBCV-UWHLTILDSA-N 1 3 350.547 2.874 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C)O1 ZINC000460133175 516038219 /nfs/dbraw/zinc/03/82/19/516038219.db2.gz VWCMWMBBDHJSCK-QZTJIDSGSA-N 1 3 353.551 2.504 20 0 FFADHO CC[C@H](CNC(=O)NCCC[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000501327027 516063741 /nfs/dbraw/zinc/06/37/41/516063741.db2.gz KTEKRSMPWCEKHL-OAQYLSRUSA-N 1 3 372.557 2.999 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000511918725 516080501 /nfs/dbraw/zinc/08/05/01/516080501.db2.gz HXBQTPBRLFPMCA-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000511918725 516080507 /nfs/dbraw/zinc/08/05/07/516080507.db2.gz HXBQTPBRLFPMCA-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000488046986 516094451 /nfs/dbraw/zinc/09/44/51/516094451.db2.gz WBMUOSQRMYEKOA-UYAOXDASSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@H+](C2CCC2)C1 ZINC000488046986 516094462 /nfs/dbraw/zinc/09/44/62/516094462.db2.gz WBMUOSQRMYEKOA-UYAOXDASSA-N 1 3 372.557 2.675 20 0 FFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](CN)c2ccc(F)cc2)c1 ZINC000479208539 516109505 /nfs/dbraw/zinc/10/95/05/516109505.db2.gz APJZPYSFNMECHN-IBGZPJMESA-N 1 3 359.445 2.837 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501498710 516127275 /nfs/dbraw/zinc/12/72/75/516127275.db2.gz AJPAOFCAFGZFFA-RTBURBONSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501498710 516127283 /nfs/dbraw/zinc/12/72/83/516127283.db2.gz AJPAOFCAFGZFFA-RTBURBONSA-N 1 3 372.557 2.854 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000460364449 516133857 /nfs/dbraw/zinc/13/38/57/516133857.db2.gz MBNQFEXABGQWNF-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000465419104 516146919 /nfs/dbraw/zinc/14/69/19/516146919.db2.gz ALLLXMLPNUTXCS-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457806908 516161704 /nfs/dbraw/zinc/16/17/04/516161704.db2.gz VTKCGZLXCVKYDH-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457806908 516161710 /nfs/dbraw/zinc/16/17/10/516161710.db2.gz VTKCGZLXCVKYDH-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCCC[C@H]1C)CC2 ZINC000465553936 516194810 /nfs/dbraw/zinc/19/48/10/516194810.db2.gz XGNAYIMNQVHFPI-MKXGPGLRSA-N 1 3 350.551 2.906 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)N1CCCC[C@H]1C)CC2 ZINC000465553936 516194816 /nfs/dbraw/zinc/19/48/16/516194816.db2.gz XGNAYIMNQVHFPI-MKXGPGLRSA-N 1 3 350.551 2.906 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000465583052 516203445 /nfs/dbraw/zinc/20/34/45/516203445.db2.gz UOZMAWHFZCRWAC-FXAWDEMLSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000465583052 516203455 /nfs/dbraw/zinc/20/34/55/516203455.db2.gz UOZMAWHFZCRWAC-FXAWDEMLSA-N 1 3 358.530 2.741 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000507441677 516211938 /nfs/dbraw/zinc/21/19/38/516211938.db2.gz OAXHBCDKLNPRPP-UHFFFAOYSA-N 1 3 361.574 2.983 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000507494404 516223239 /nfs/dbraw/zinc/22/32/39/516223239.db2.gz JMGNFPNVXYKNTK-IFMALSPDSA-N 1 3 359.558 2.989 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000465691344 516229407 /nfs/dbraw/zinc/22/94/07/516229407.db2.gz LTWGDWSGCVVJLO-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457935611 516239104 /nfs/dbraw/zinc/23/91/04/516239104.db2.gz NTXCNEUFEPDPFY-IRXDYDNUSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457935611 516239111 /nfs/dbraw/zinc/23/91/11/516239111.db2.gz NTXCNEUFEPDPFY-IRXDYDNUSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CN1C1CC1 ZINC000488496647 516240382 /nfs/dbraw/zinc/24/03/82/516240382.db2.gz KCSLNXWBBWEQGH-LZNRXBQRSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CN1C1CC1 ZINC000488496647 516240389 /nfs/dbraw/zinc/24/03/89/516240389.db2.gz KCSLNXWBBWEQGH-LZNRXBQRSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465743473 516243980 /nfs/dbraw/zinc/24/39/80/516243980.db2.gz BZHRJWPGUOUQJU-MSOLQXFVSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465743473 516243989 /nfs/dbraw/zinc/24/39/89/516243989.db2.gz BZHRJWPGUOUQJU-MSOLQXFVSA-N 1 3 372.557 2.505 20 0 FFADHO C[NH+]1CCC2(CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000507570024 516247584 /nfs/dbraw/zinc/24/75/84/516247584.db2.gz XJTQNPXZSOUNJG-UHFFFAOYSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000465762782 516251288 /nfs/dbraw/zinc/25/12/88/516251288.db2.gz USTZUFTXOWLDLY-IZBJGVDFSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000465762782 516251297 /nfs/dbraw/zinc/25/12/97/516251297.db2.gz USTZUFTXOWLDLY-IZBJGVDFSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554241028 516339782 /nfs/dbraw/zinc/33/97/82/516339782.db2.gz SCKVZHNEKDHSMC-RLLQIKCJSA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(F)c(C)c3)CC2)CC1 ZINC000561091926 516373132 /nfs/dbraw/zinc/37/31/32/516373132.db2.gz NZUXCVFXCMHLTP-UHFFFAOYSA-N 1 3 361.505 2.947 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000561149342 516408461 /nfs/dbraw/zinc/40/84/61/516408461.db2.gz OXJYTZUWSALQAC-QGZVFWFLSA-N 1 3 358.530 2.941 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000561198885 516445611 /nfs/dbraw/zinc/44/56/11/516445611.db2.gz ZQNKZWAAKIBRAV-DENIHFKCSA-N 1 3 372.557 2.976 20 0 FFADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000540144293 516455507 /nfs/dbraw/zinc/45/55/07/516455507.db2.gz MTGVIPBSMJONRK-IGCXYCKISA-N 1 3 353.869 2.904 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000550885004 516468428 /nfs/dbraw/zinc/46/84/28/516468428.db2.gz AXIHOOCLCMOZQX-ZFWWWQNUSA-N 1 3 372.351 2.955 20 0 FFADHO C[C@@H]1C[C@H](CC[NH2+][C@H](CS(C)(=O)=O)C2CC2)CN1Cc1ccccc1 ZINC000551087426 516557204 /nfs/dbraw/zinc/55/72/04/516557204.db2.gz QRIGRSJUUSLIQT-IMFGXOCKSA-N 1 3 364.555 2.700 20 0 FFADHO CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CN2CCC1CC2 ZINC000518434877 516658912 /nfs/dbraw/zinc/65/89/12/516658912.db2.gz TXROAMWMWLKHQT-UYAOXDASSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@@H]1CN2CCC1CC2 ZINC000518434877 516658923 /nfs/dbraw/zinc/65/89/23/516658923.db2.gz TXROAMWMWLKHQT-UYAOXDASSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CN2CCC1CC2 ZINC000518434877 516658928 /nfs/dbraw/zinc/65/89/28/516658928.db2.gz TXROAMWMWLKHQT-UYAOXDASSA-N 1 3 359.489 2.590 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(OC)c(OC)cc1C ZINC000554875116 516675746 /nfs/dbraw/zinc/67/57/46/516675746.db2.gz SBAWIFNEWJEZIA-IBGZPJMESA-N 1 3 363.546 2.860 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(OC)c(OC)cc1C ZINC000554875116 516675755 /nfs/dbraw/zinc/67/57/55/516675755.db2.gz SBAWIFNEWJEZIA-IBGZPJMESA-N 1 3 363.546 2.860 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000518499086 516683412 /nfs/dbraw/zinc/68/34/12/516683412.db2.gz HEGVXUSDDGJXCR-XUVXKRRUSA-N 1 3 358.530 2.841 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C1CC1 ZINC000561635498 516692601 /nfs/dbraw/zinc/69/26/01/516692601.db2.gz OTQCAJZXUYTNPT-PGRDOPGGSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C1CC1 ZINC000561635498 516692608 /nfs/dbraw/zinc/69/26/08/516692608.db2.gz OTQCAJZXUYTNPT-PGRDOPGGSA-N 1 3 370.541 2.777 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000518594198 516714793 /nfs/dbraw/zinc/71/47/93/516714793.db2.gz SEFNTQDXKFDRRE-VQTJNVASSA-N 1 3 358.530 2.868 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000540990807 516819123 /nfs/dbraw/zinc/81/91/23/516819123.db2.gz UMSLLFPJKWDYPN-ADKAHSJRSA-N 1 3 372.431 2.579 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000518941699 516826725 /nfs/dbraw/zinc/82/67/25/516826725.db2.gz XLOUMFLRSIKXMY-HSALFYBXSA-N 1 3 370.541 2.728 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000514022682 516834748 /nfs/dbraw/zinc/83/47/48/516834748.db2.gz PBVQMJVKQKQBJV-FQEVSTJZSA-N 1 3 358.530 2.826 20 0 FFADHO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000532204606 516856974 /nfs/dbraw/zinc/85/69/74/516856974.db2.gz PYNYANLXTPVZLK-AWEZNQCLSA-N 1 3 351.516 2.726 20 0 FFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000519388483 516982541 /nfs/dbraw/zinc/98/25/41/516982541.db2.gz PAPUUIMLJLDKCZ-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000519388482 516983327 /nfs/dbraw/zinc/98/33/27/516983327.db2.gz PAPUUIMLJLDKCZ-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CN(CCC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000548503715 517023495 /nfs/dbraw/zinc/02/34/95/517023495.db2.gz FIFRLLXXYGNYKG-OAQYLSRUSA-N 1 3 366.509 2.935 20 0 FFADHO CN(CCC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000548503715 517023504 /nfs/dbraw/zinc/02/35/04/517023504.db2.gz FIFRLLXXYGNYKG-OAQYLSRUSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)Cn1cccn1 ZINC000519575377 517053236 /nfs/dbraw/zinc/05/32/36/517053236.db2.gz QASPJZAYSLUEKG-SFHVURJKSA-N 1 3 355.530 2.839 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N2CCCC2)cc1 ZINC000529297838 517059709 /nfs/dbraw/zinc/05/97/09/517059709.db2.gz DXTZTYJXTPCRPS-RTBURBONSA-N 1 3 356.514 2.716 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000552075280 517065009 /nfs/dbraw/zinc/06/50/09/517065009.db2.gz RFJOGWWRORABRW-CHWSQXEVSA-N 1 3 367.563 2.916 20 0 FFADHO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000529390229 517119605 /nfs/dbraw/zinc/11/96/05/517119605.db2.gz XWNUTWJZGSADNK-HWWQOWPSSA-N 1 3 373.328 2.988 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000519973772 517252876 /nfs/dbraw/zinc/25/28/76/517252876.db2.gz DVZJTKVJFNVSAJ-KRWDZBQOSA-N 1 3 360.546 2.853 20 0 FFADHO CC(C)c1ccccc1OC[C@@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000515234533 517266389 /nfs/dbraw/zinc/26/63/89/517266389.db2.gz JFGVOJKISBXXMS-MOPGFXCFSA-N 1 3 364.530 2.640 20 0 FFADHO CC(C)c1ccccc1OC[C@@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000515234533 517266392 /nfs/dbraw/zinc/26/63/92/517266392.db2.gz JFGVOJKISBXXMS-MOPGFXCFSA-N 1 3 364.530 2.640 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCN1Cc1ccccc1 ZINC000515244566 517269246 /nfs/dbraw/zinc/26/92/46/517269246.db2.gz ACMIROYPZVUYAB-CWJKEVGVSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCN1Cc1ccccc1 ZINC000515244566 517269261 /nfs/dbraw/zinc/26/92/61/517269261.db2.gz ACMIROYPZVUYAB-CWJKEVGVSA-N 1 3 370.541 2.775 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000552518213 517292674 /nfs/dbraw/zinc/29/26/74/517292674.db2.gz WOZANAZFHCPELX-VQTJNVASSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000552518213 517292684 /nfs/dbraw/zinc/29/26/84/517292684.db2.gz WOZANAZFHCPELX-VQTJNVASSA-N 1 3 357.498 2.599 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000520374635 517367407 /nfs/dbraw/zinc/36/74/07/517367407.db2.gz PDFKRYGTWPGFJT-MVJPYGJCSA-N 1 3 356.514 2.509 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000542137521 517401373 /nfs/dbraw/zinc/40/13/73/517401373.db2.gz QHBSXGJDRUAKOR-JKSUJKDBSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000542137521 517401376 /nfs/dbraw/zinc/40/13/76/517401376.db2.gz QHBSXGJDRUAKOR-JKSUJKDBSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000537953380 517415317 /nfs/dbraw/zinc/41/53/17/517415317.db2.gz QSRMTMFUPMLCHF-LPHOPBHVSA-N 1 3 356.576 2.834 20 0 FFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000537953380 517415325 /nfs/dbraw/zinc/41/53/25/517415325.db2.gz QSRMTMFUPMLCHF-LPHOPBHVSA-N 1 3 356.576 2.834 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000562809091 517423547 /nfs/dbraw/zinc/42/35/47/517423547.db2.gz XIWBMMNDDVYJPZ-NJYVYQBISA-N 1 3 366.509 2.993 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000562811214 517425904 /nfs/dbraw/zinc/42/59/04/517425904.db2.gz VOLIRGNXYCYXTG-LAUBAEHRSA-N 1 3 358.530 2.901 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000562821182 517434460 /nfs/dbraw/zinc/43/44/60/517434460.db2.gz YIAFJEUAYVVZJT-GBESFXJTSA-N 1 3 358.530 2.584 20 0 FFADHO CN(CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000553038342 517493266 /nfs/dbraw/zinc/49/32/66/517493266.db2.gz ZBBSFACRQDPINX-NRFANRHFSA-N 1 3 351.494 2.757 20 0 FFADHO CN(CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000553038342 517493275 /nfs/dbraw/zinc/49/32/75/517493275.db2.gz ZBBSFACRQDPINX-NRFANRHFSA-N 1 3 351.494 2.757 20 0 FFADHO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[NH+]1CCC(C)CC1 ZINC000520893854 517543763 /nfs/dbraw/zinc/54/37/63/517543763.db2.gz IACPIMNQRUCKMM-UYAOXDASSA-N 1 3 360.546 2.579 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)COCc1cccs1 ZINC000562990987 517565003 /nfs/dbraw/zinc/56/50/03/517565003.db2.gz KHEWWEYTUMPVIA-SFHVURJKSA-N 1 3 361.511 2.527 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000516163890 517595200 /nfs/dbraw/zinc/59/52/00/517595200.db2.gz FNCJZFPHTNUJJU-BTHPGYMESA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000516163890 517595212 /nfs/dbraw/zinc/59/52/12/517595212.db2.gz FNCJZFPHTNUJJU-BTHPGYMESA-N 1 3 356.514 2.748 20 0 FFADHO CC(C)(O)CN(Cc1cncc(C[N@H+](CC(C)(C)O)C2CC2)c1)C1CC1 ZINC000560222262 517644784 /nfs/dbraw/zinc/64/47/84/517644784.db2.gz WUKBGTYASNSQCA-UHFFFAOYSA-N 1 3 361.530 2.552 20 0 FFADHO CC(C)(O)CN(Cc1cncc(C[N@@H+](CC(C)(C)O)C2CC2)c1)C1CC1 ZINC000560222262 517644797 /nfs/dbraw/zinc/64/47/97/517644797.db2.gz WUKBGTYASNSQCA-UHFFFAOYSA-N 1 3 361.530 2.552 20 0 FFADHO CCc1ccc2c(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000530242914 517649854 /nfs/dbraw/zinc/64/98/54/517649854.db2.gz VSMVABWDRQSOGO-IBGZPJMESA-N 1 3 370.493 2.946 20 0 FFADHO COc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000530248277 517654992 /nfs/dbraw/zinc/65/49/92/517654992.db2.gz IACOORYJYNDTIC-MRXNPFEDSA-N 1 3 370.440 2.887 20 0 FFADHO COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC(F)F ZINC000530249358 517657148 /nfs/dbraw/zinc/65/71/48/517657148.db2.gz WPLXDXNLPQDJRK-INIZCTEOSA-N 1 3 370.440 2.887 20 0 FFADHO Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527494931 517708530 /nfs/dbraw/zinc/70/85/30/517708530.db2.gz AMDQUCIKYMOASB-UHFFFAOYSA-N 1 3 363.399 2.718 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000549806715 517718075 /nfs/dbraw/zinc/71/80/75/517718075.db2.gz PIWKWOQDBNAIRA-CBGDNZLLSA-N 1 3 364.505 2.550 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000553462927 517726584 /nfs/dbraw/zinc/72/65/84/517726584.db2.gz VCZPRKKODOLOGY-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@H]1CCOC1 ZINC000556886399 517729698 /nfs/dbraw/zinc/72/96/98/517729698.db2.gz MLTSLSZLJFDTOG-PVIWCNJMSA-N 1 3 358.526 2.664 20 0 FFADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000530412731 517759210 /nfs/dbraw/zinc/75/92/10/517759210.db2.gz VLRZOFZGKNGJES-AZUAARDMSA-N 1 3 354.498 2.544 20 0 FFADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000530412731 517759217 /nfs/dbraw/zinc/75/92/17/517759217.db2.gz VLRZOFZGKNGJES-AZUAARDMSA-N 1 3 354.498 2.544 20 0 FFADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000530412734 517760583 /nfs/dbraw/zinc/76/05/83/517760583.db2.gz VLRZOFZGKNGJES-UYAOXDASSA-N 1 3 354.498 2.544 20 0 FFADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000530412734 517760592 /nfs/dbraw/zinc/76/05/92/517760592.db2.gz VLRZOFZGKNGJES-UYAOXDASSA-N 1 3 354.498 2.544 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000516684745 517808924 /nfs/dbraw/zinc/80/89/24/517808924.db2.gz SWZOTOLBFUFHLR-QZTJIDSGSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000516684745 517808929 /nfs/dbraw/zinc/80/89/29/517808929.db2.gz SWZOTOLBFUFHLR-QZTJIDSGSA-N 1 3 352.567 2.869 20 0 FFADHO COc1ccc(C[C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1OC ZINC000560527127 517874740 /nfs/dbraw/zinc/87/47/40/517874740.db2.gz AFTNVKYXLRZCQI-VQIMIIECSA-N 1 3 364.530 2.626 20 0 FFADHO C[NH+](C)CC1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000546825710 517876858 /nfs/dbraw/zinc/87/68/58/517876858.db2.gz YZUJYNRERJWAKP-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[C@H](C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H](C)[NH3+] ZINC000516864995 517881339 /nfs/dbraw/zinc/88/13/39/517881339.db2.gz WSDBHUZTHARWJO-UZLBHIALSA-N 1 3 358.530 2.777 20 0 FFADHO Cn1cnc(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560544595 517884476 /nfs/dbraw/zinc/88/44/76/517884476.db2.gz QZUQFKCVNBAOLX-SLFFLAALSA-N 1 3 353.514 2.638 20 0 FFADHO Cn1cnc(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560544595 517884483 /nfs/dbraw/zinc/88/44/83/517884483.db2.gz QZUQFKCVNBAOLX-SLFFLAALSA-N 1 3 353.514 2.638 20 0 FFADHO Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000560544595 517884492 /nfs/dbraw/zinc/88/44/92/517884492.db2.gz QZUQFKCVNBAOLX-SLFFLAALSA-N 1 3 353.514 2.638 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000560574536 517903321 /nfs/dbraw/zinc/90/33/21/517903321.db2.gz NUPLADBAGLHCIW-CHWSQXEVSA-N 1 3 365.547 2.528 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccn(C)c1C1CCC1 ZINC000550386293 518021381 /nfs/dbraw/zinc/02/13/81/518021381.db2.gz JQXIMNMOYSSGFX-SFHVURJKSA-N 1 3 360.546 2.781 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccn(C)c1C1CCC1 ZINC000550386293 518021387 /nfs/dbraw/zinc/02/13/87/518021387.db2.gz JQXIMNMOYSSGFX-SFHVURJKSA-N 1 3 360.546 2.781 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000543394507 518067575 /nfs/dbraw/zinc/06/75/75/518067575.db2.gz LIWSNDFHDFHRHM-UHFFFAOYSA-N 1 3 371.529 2.899 20 0 FFADHO C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000554142565 518081415 /nfs/dbraw/zinc/08/14/15/518081415.db2.gz TVBRYZDPFKCKTB-WMZHIEFXSA-N 1 3 369.553 2.884 20 0 FFADHO C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000554142565 518081425 /nfs/dbraw/zinc/08/14/25/518081425.db2.gz TVBRYZDPFKCKTB-WMZHIEFXSA-N 1 3 369.553 2.884 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000543437440 518090768 /nfs/dbraw/zinc/09/07/68/518090768.db2.gz JBKWYELZNLMOMS-KSZLIROESA-N 1 3 367.578 2.891 20 0 FFADHO CN(C)C(=O)[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000522548843 518125365 /nfs/dbraw/zinc/12/53/65/518125365.db2.gz NUXVEVFPBZMSEE-NRFANRHFSA-N 1 3 369.509 2.589 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000563810273 518135087 /nfs/dbraw/zinc/13/50/87/518135087.db2.gz LLRGAUAGJBKDKX-FGZHOGPDSA-N 1 3 371.569 2.866 20 0 FFADHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000517405422 518140035 /nfs/dbraw/zinc/14/00/35/518140035.db2.gz KWXRFHSSNPUGNV-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000517405422 518140040 /nfs/dbraw/zinc/14/00/40/518140040.db2.gz KWXRFHSSNPUGNV-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000522829916 518167688 /nfs/dbraw/zinc/16/76/88/518167688.db2.gz TYRNHUGVALJTEM-SFTDATJTSA-N 1 3 370.541 2.574 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000522829916 518167692 /nfs/dbraw/zinc/16/76/92/518167692.db2.gz TYRNHUGVALJTEM-SFTDATJTSA-N 1 3 370.541 2.574 20 0 FFADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCCN(CC2CCCCC2)CC1 ZINC000575397922 518211346 /nfs/dbraw/zinc/21/13/46/518211346.db2.gz PJSFTVGHBGQDHU-FQEVSTJZSA-N 1 3 373.545 2.536 20 0 FFADHO [NH3+]C[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)CC12CCOCC2 ZINC000569723711 518258335 /nfs/dbraw/zinc/25/83/35/518258335.db2.gz MSZNYZYGQNVPDX-IBGZPJMESA-N 1 3 367.493 2.848 20 0 FFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@H](CN)c3ccc(F)cc3)C2)nc1 ZINC000569727765 518260293 /nfs/dbraw/zinc/26/02/93/518260293.db2.gz TXPQCPLIOZHJKT-ROUUACIJSA-N 1 3 370.472 2.922 20 0 FFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H](CN)c3ccc(F)cc3)C2)nc1 ZINC000569727765 518260297 /nfs/dbraw/zinc/26/02/97/518260297.db2.gz TXPQCPLIOZHJKT-ROUUACIJSA-N 1 3 370.472 2.922 20 0 FFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000575745845 518260901 /nfs/dbraw/zinc/26/09/01/518260901.db2.gz TYKLCVRROQYVJT-OAHLLOKOSA-N 1 3 367.484 2.881 20 0 FFADHO CCn1nc(C)c(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1C ZINC000566924071 518267948 /nfs/dbraw/zinc/26/79/48/518267948.db2.gz MAWGNAAIQGTFIY-UHFFFAOYSA-N 1 3 361.534 2.655 20 0 FFADHO CN(CCCN(C)Cc1cn2cc(Cl)cc(Cl)c2n1)CC[NH+](C)C ZINC000566937642 518273058 /nfs/dbraw/zinc/27/30/58/518273058.db2.gz ACKGPCQAXRSZLJ-UHFFFAOYSA-N 1 3 372.344 2.956 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000581432925 518283198 /nfs/dbraw/zinc/28/31/98/518283198.db2.gz PXGRNGXKHYLCGK-SFHLNBCPSA-N 1 3 358.530 2.823 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCc4occc43)CC2)CC1 ZINC000566964846 518286880 /nfs/dbraw/zinc/28/68/80/518286880.db2.gz MAOGWFFPZWTFQG-IBGZPJMESA-N 1 3 359.514 2.970 20 0 FFADHO CN(C)c1ccccc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000578632843 518302508 /nfs/dbraw/zinc/30/25/08/518302508.db2.gz QBWHJMNMQJJMBC-UHFFFAOYSA-N 1 3 372.557 2.567 20 0 FFADHO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H](CN)c3ccc(F)cc3)C2)n1 ZINC000584412679 518329881 /nfs/dbraw/zinc/32/98/81/518329881.db2.gz NYFYHWCUXFZOIG-ZWKOTPCHSA-N 1 3 370.472 2.922 20 0 FFADHO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H](CN)c3ccc(F)cc3)C2)n1 ZINC000584412679 518329884 /nfs/dbraw/zinc/32/98/84/518329884.db2.gz NYFYHWCUXFZOIG-ZWKOTPCHSA-N 1 3 370.472 2.922 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1C ZINC000572763832 518350153 /nfs/dbraw/zinc/35/01/53/518350153.db2.gz CRWHRGQCOSHQKL-MTFMMBMASA-N 1 3 361.505 2.549 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000569925747 518358566 /nfs/dbraw/zinc/35/85/66/518358566.db2.gz UERIBPLULOHUNY-JXFKEZNVSA-N 1 3 352.482 2.608 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000584478190 518361158 /nfs/dbraw/zinc/36/11/58/518361158.db2.gz KLUZETSPUJBTHG-OAQYLSRUSA-N 1 3 369.553 2.856 20 0 FFADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000575970623 518366817 /nfs/dbraw/zinc/36/68/17/518366817.db2.gz GQHUGMNGCILXHS-APWZRJJASA-N 1 3 374.529 2.950 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)cc3OC)CC2)CC1 ZINC000576000672 518381867 /nfs/dbraw/zinc/38/18/67/518381867.db2.gz HWKONHTUVJQQQZ-UHFFFAOYSA-N 1 3 373.541 2.816 20 0 FFADHO [NH3+]Cc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000572879824 518405118 /nfs/dbraw/zinc/40/51/18/518405118.db2.gz ZDGJIYRFAKUQOK-UHFFFAOYSA-N 1 3 350.422 2.596 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c2)CC1 ZINC000564370292 518419844 /nfs/dbraw/zinc/41/98/44/518419844.db2.gz OAKNHABVQLHQKG-KRWDZBQOSA-N 1 3 361.534 2.679 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c2)CC1 ZINC000564370292 518419848 /nfs/dbraw/zinc/41/98/48/518419848.db2.gz OAKNHABVQLHQKG-KRWDZBQOSA-N 1 3 361.534 2.679 20 0 FFADHO CCN(C[C@@H]1CCCN1CC)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000570142674 518460832 /nfs/dbraw/zinc/46/08/32/518460832.db2.gz JSFNEHTYGNSRBV-ZWKOTPCHSA-N 1 3 353.576 2.537 20 0 FFADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578988825 518468916 /nfs/dbraw/zinc/46/89/16/518468916.db2.gz PQEMZWRHWHDNOY-GASCZTMLSA-N 1 3 370.324 2.883 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000567365049 518486917 /nfs/dbraw/zinc/48/69/17/518486917.db2.gz FXLRTJMCUOJSRN-NJYVYQBISA-N 1 3 373.541 2.814 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000576260779 518507262 /nfs/dbraw/zinc/50/72/62/518507262.db2.gz WOFMKHKGBYWVIV-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)c1ccc(OCCNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000567502343 518559008 /nfs/dbraw/zinc/55/90/08/518559008.db2.gz HXSYZWDBTNHBBO-VQTJNVASSA-N 1 3 373.541 2.627 20 0 FFADHO C[NH+](C)C1(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)Cc2ccccc2C1 ZINC000567585602 518598698 /nfs/dbraw/zinc/59/86/98/518598698.db2.gz LDINLKRZWXJEOJ-FQEVSTJZSA-N 1 3 365.521 2.928 20 0 FFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576465406 518605366 /nfs/dbraw/zinc/60/53/66/518605366.db2.gz GACXRDWEYKXDKA-ZMOODUGTSA-N 1 3 359.558 2.781 20 0 FFADHO OC[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccc(F)cc1 ZINC000567642410 518629225 /nfs/dbraw/zinc/62/92/25/518629225.db2.gz XMPHSULBDWHNCR-XJABCFGWSA-N 1 3 370.468 2.822 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000567647726 518631386 /nfs/dbraw/zinc/63/13/86/518631386.db2.gz QXZMUMNKWKTRBY-PWIZWCRZSA-N 1 3 364.493 2.927 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000576582166 518662208 /nfs/dbraw/zinc/66/22/08/518662208.db2.gz STYUJWXLPBYHHF-KBPBESRZSA-N 1 3 374.451 2.904 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000567715025 518671420 /nfs/dbraw/zinc/67/14/20/518671420.db2.gz FJXSGRMGRAVJQE-LZLYRXPVSA-N 1 3 364.559 2.820 20 0 FFADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c2ccccc21 ZINC000576626925 518683988 /nfs/dbraw/zinc/68/39/88/518683988.db2.gz TYTPYYWFCRXQGW-XGARDCMYSA-N 1 3 351.494 2.604 20 0 FFADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000565046195 518759475 /nfs/dbraw/zinc/75/94/75/518759475.db2.gz JCXBYODQFLHTEY-ROUUACIJSA-N 1 3 369.513 2.805 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(CC(C)C)c3)CC2)CC1 ZINC000579729543 518825744 /nfs/dbraw/zinc/82/57/44/518825744.db2.gz PPRBGMAFEMBKNV-UHFFFAOYSA-N 1 3 361.534 2.674 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)S[C@@H](C)C3)CC2)CC1 ZINC000582614206 518839136 /nfs/dbraw/zinc/83/91/36/518839136.db2.gz KSKMVZMBTRLCAK-IYBDPMFKSA-N 1 3 353.576 2.535 20 0 FFADHO C[C@@H](CCc1ccc(F)cc1F)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000565261604 518866413 /nfs/dbraw/zinc/86/64/13/518866413.db2.gz BSUSPANKMXPYKW-INIZCTEOSA-N 1 3 367.484 2.868 20 0 FFADHO C[C@H]1CCN(CC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000568196719 518920144 /nfs/dbraw/zinc/92/01/44/518920144.db2.gz KVXGIGGBYZYBDJ-IBGZPJMESA-N 1 3 373.541 2.516 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2CN)cc1 ZINC000579949510 518935633 /nfs/dbraw/zinc/93/56/33/518935633.db2.gz RMPOEBJXABXTCT-HXUWFJFHSA-N 1 3 352.482 2.516 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000579953849 518936436 /nfs/dbraw/zinc/93/64/36/518936436.db2.gz OKRZVCNKCPGZBV-GOSISDBHSA-N 1 3 360.889 2.901 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@@H](C)[NH3+] ZINC000582844231 518950208 /nfs/dbraw/zinc/95/02/08/518950208.db2.gz YZBIKJXQTWMMDA-AEFFLSMTSA-N 1 3 355.486 2.704 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)CCO4)CC2)CC1 ZINC000565430765 518952109 /nfs/dbraw/zinc/95/21/09/518952109.db2.gz GAJCDEXVJDBNMN-UHFFFAOYSA-N 1 3 357.498 2.756 20 0 FFADHO CC(C)(C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000582903271 518977522 /nfs/dbraw/zinc/97/75/22/518977522.db2.gz YXDDDWLFMYSBEJ-FQEVSTJZSA-N 1 3 373.541 2.816 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000580085997 519001443 /nfs/dbraw/zinc/00/14/43/519001443.db2.gz CHJCFAMXNJITFM-GOSISDBHSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000580085997 519001448 /nfs/dbraw/zinc/00/14/48/519001448.db2.gz CHJCFAMXNJITFM-GOSISDBHSA-N 1 3 373.541 2.524 20 0 FFADHO Cc1cc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1C[NH+](C)C ZINC000568481795 519058972 /nfs/dbraw/zinc/05/89/72/519058972.db2.gz ACHCEDPSQGQWAI-JOCHJYFZSA-N 1 3 367.493 2.632 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000565646255 519061161 /nfs/dbraw/zinc/06/11/61/519061161.db2.gz BHTISMDFXPWREY-QAPCUYQASA-N 1 3 367.497 2.540 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000580217818 519066422 /nfs/dbraw/zinc/06/64/22/519066422.db2.gz CYHHZECPWNESOP-IBGZPJMESA-N 1 3 352.482 2.576 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2CN)cc1 ZINC000565714878 519096887 /nfs/dbraw/zinc/09/68/87/519096887.db2.gz PYZPRXPTBHSOFA-OAQYLSRUSA-N 1 3 366.509 2.558 20 0 FFADHO CCCOCc1ccccc1CNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568632209 519138650 /nfs/dbraw/zinc/13/86/50/519138650.db2.gz LTNHJJYZSPQGKS-PMACEKPBSA-N 1 3 373.541 2.551 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC(CC[NH3+])CC2)cc1 ZINC000574406367 519140212 /nfs/dbraw/zinc/14/02/12/519140212.db2.gz NVGSEXRLCXXTEF-FQEVSTJZSA-N 1 3 359.514 2.810 20 0 FFADHO O=C(CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccnc1 ZINC000568683526 519162254 /nfs/dbraw/zinc/16/22/54/519162254.db2.gz MNVNMXXCLBELGK-VQTJNVASSA-N 1 3 364.493 2.864 20 0 FFADHO O=C(CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccnc1 ZINC000568683526 519162261 /nfs/dbraw/zinc/16/22/61/519162261.db2.gz MNVNMXXCLBELGK-VQTJNVASSA-N 1 3 364.493 2.864 20 0 FFADHO CN(CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000574472194 519170630 /nfs/dbraw/zinc/17/06/30/519170630.db2.gz VOTAHXQGELMBJD-FQEVSTJZSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580429016 519172093 /nfs/dbraw/zinc/17/20/93/519172093.db2.gz LAKNTWSAZNCUSF-DYESRHJHSA-N 1 3 366.509 2.775 20 0 FFADHO CS(=O)(=O)CC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000577633915 519180327 /nfs/dbraw/zinc/18/03/27/519180327.db2.gz FXUARUPTOOYACI-UHFFFAOYSA-N 1 3 356.576 2.977 20 0 FFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000568728318 519184660 /nfs/dbraw/zinc/18/46/60/519184660.db2.gz OZLYMXDMCOEEKB-ZWKOTPCHSA-N 1 3 358.511 2.923 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000571677260 519216785 /nfs/dbraw/zinc/21/67/85/519216785.db2.gz VXDDMOMUUVEVEO-UHFFFAOYSA-N 1 3 352.482 2.563 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000571777046 519270548 /nfs/dbraw/zinc/27/05/48/519270548.db2.gz XMCPGDCZISGWNP-YLJYHZDGSA-N 1 3 358.530 2.541 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000571777046 519270555 /nfs/dbraw/zinc/27/05/55/519270555.db2.gz XMCPGDCZISGWNP-YLJYHZDGSA-N 1 3 358.530 2.541 20 0 FFADHO Clc1ccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000566062604 519274125 /nfs/dbraw/zinc/27/41/25/519274125.db2.gz PEJJFIVLYGPTJZ-QFBILLFUSA-N 1 3 359.857 2.959 20 0 FFADHO c1ncn(-c2ccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2)n1 ZINC000577840126 519282495 /nfs/dbraw/zinc/28/24/95/519282495.db2.gz MSBRRIMMDRGFQR-FPOVZHCZSA-N 1 3 361.449 2.613 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000568920912 519283001 /nfs/dbraw/zinc/28/30/01/519283001.db2.gz DCDZYWOZAHCUHB-HXUWFJFHSA-N 1 3 358.530 2.676 20 0 FFADHO C[C@@H](Oc1cccc2ccccc21)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580685377 519300204 /nfs/dbraw/zinc/30/02/04/519300204.db2.gz OYTYKKQCKMIAEJ-QGZVFWFLSA-N 1 3 357.498 2.559 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106515 519301124 /nfs/dbraw/zinc/30/11/24/519301124.db2.gz SRWCNHGOONUKIK-UKRRQHHQSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106515 519301128 /nfs/dbraw/zinc/30/11/28/519301128.db2.gz SRWCNHGOONUKIK-UKRRQHHQSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccccc1C(F)(F)F ZINC000566106515 519301136 /nfs/dbraw/zinc/30/11/36/519301136.db2.gz SRWCNHGOONUKIK-UKRRQHHQSA-N 1 3 358.404 2.519 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H]1c1cccs1 ZINC000572014113 519399586 /nfs/dbraw/zinc/39/95/86/519399586.db2.gz UMGXDMPETZKTRX-BVIKNXMNSA-N 1 3 364.559 2.948 20 0 FFADHO CN1CCN(c2ccncc2NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000566296316 519420504 /nfs/dbraw/zinc/42/05/04/519420504.db2.gz FNOMRRMMAMXUIL-GOSISDBHSA-N 1 3 373.545 2.850 20 0 FFADHO O[C@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)Cc1cccc(Cl)c1 ZINC000572114922 519451566 /nfs/dbraw/zinc/45/15/66/519451566.db2.gz NCQRFVYMVSXEBE-RTWAWAEBSA-N 1 3 374.912 2.600 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000581000729 519469590 /nfs/dbraw/zinc/46/95/90/519469590.db2.gz AXCJURZAJHBRGE-CRAIPNDOSA-N 1 3 364.559 2.871 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572165010 519475394 /nfs/dbraw/zinc/47/53/94/519475394.db2.gz HCEDFIIGBSVWNM-HRCADAONSA-N 1 3 372.538 2.575 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000591408778 519619597 /nfs/dbraw/zinc/61/95/97/519619597.db2.gz IDDPLZAHBNHVNB-MJGOQNOKSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000591408778 519619603 /nfs/dbraw/zinc/61/96/03/519619603.db2.gz IDDPLZAHBNHVNB-MJGOQNOKSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000612813571 520163076 /nfs/dbraw/zinc/16/30/76/520163076.db2.gz GREVVQVWYXFLAZ-RTWAWAEBSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000612813571 520163083 /nfs/dbraw/zinc/16/30/83/520163083.db2.gz GREVVQVWYXFLAZ-RTWAWAEBSA-N 1 3 370.541 2.839 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCC(C)CC1 ZINC000594963544 520232269 /nfs/dbraw/zinc/23/22/69/520232269.db2.gz JYGSUVVGLJRDSH-RTBURBONSA-N 1 3 350.551 2.526 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612988145 520257623 /nfs/dbraw/zinc/25/76/23/520257623.db2.gz OTULCZIXLNGQTJ-RTBURBONSA-N 1 3 374.529 2.518 20 0 FFADHO CC[C@H](COCC1CC1)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000617336338 520438628 /nfs/dbraw/zinc/43/86/28/520438628.db2.gz UHMKSGHSCCKGEB-LJQANCHMSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000604115778 520454858 /nfs/dbraw/zinc/45/48/58/520454858.db2.gz ASWWXZFITXYLMR-UXHICEINSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000600858457 520500701 /nfs/dbraw/zinc/50/07/01/520500701.db2.gz JPDGNIUAPUMZNK-YSIASYRMSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000600858457 520500707 /nfs/dbraw/zinc/50/07/07/520500707.db2.gz JPDGNIUAPUMZNK-YSIASYRMSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1c(Br)cccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505738 520540975 /nfs/dbraw/zinc/54/09/75/520540975.db2.gz OCCNDBYBPKKXHA-ZDUSSCGKSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1c(Br)cccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505738 520540982 /nfs/dbraw/zinc/54/09/82/520540982.db2.gz OCCNDBYBPKKXHA-ZDUSSCGKSA-N 1 3 370.335 2.759 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000617506739 520541875 /nfs/dbraw/zinc/54/18/75/520541875.db2.gz XRZZDAUBEQQBND-FXAWDEMLSA-N 1 3 361.530 2.582 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000617506739 520541882 /nfs/dbraw/zinc/54/18/82/520541882.db2.gz XRZZDAUBEQQBND-FXAWDEMLSA-N 1 3 361.530 2.582 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592953917 520659928 /nfs/dbraw/zinc/65/99/28/520659928.db2.gz HCJXJOINNWNJHB-IEBWSBKVSA-N 1 3 369.513 2.532 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592959267 520661615 /nfs/dbraw/zinc/66/16/15/520661615.db2.gz RAVZNXPBICJPBQ-NVXWUHKLSA-N 1 3 369.513 2.578 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CSc4ccccc43)CC2)CC1 ZINC000605174008 520803053 /nfs/dbraw/zinc/80/30/53/520803053.db2.gz GZLMKTCOLLSVQW-SFHVURJKSA-N 1 3 374.554 2.691 20 0 FFADHO C[C@H](CN1CCC[C@@H](n2ccnc2)C1)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000605574361 520918217 /nfs/dbraw/zinc/91/82/17/520918217.db2.gz OPCLSBZPFASIGH-OWZKRDHZSA-N 1 3 356.518 2.690 20 0 FFADHO C[C@H](CN1CCC[C@@H](n2ccnc2)C1)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000605574361 520918226 /nfs/dbraw/zinc/91/82/26/520918226.db2.gz OPCLSBZPFASIGH-OWZKRDHZSA-N 1 3 356.518 2.690 20 0 FFADHO C[C@@H](CN1CCC[C@H](n2ccnc2)C1)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000605574361 520918229 /nfs/dbraw/zinc/91/82/29/520918229.db2.gz OPCLSBZPFASIGH-OWZKRDHZSA-N 1 3 356.518 2.690 20 0 FFADHO C[C@@H](CN1CCC[C@H](n2ccnc2)C1)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000605574361 520918239 /nfs/dbraw/zinc/91/82/39/520918239.db2.gz OPCLSBZPFASIGH-OWZKRDHZSA-N 1 3 356.518 2.690 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1(C)C ZINC000598979115 520957562 /nfs/dbraw/zinc/95/75/62/520957562.db2.gz JJHQCHUJQTWBLO-UHFFFAOYSA-N 1 3 367.559 2.819 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000614446105 520970508 /nfs/dbraw/zinc/97/05/08/520970508.db2.gz LWXDIYRZCMLRCH-ZIFCJYIRSA-N 1 3 367.578 2.579 20 0 FFADHO COC(=O)CC1CCC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC000599049903 520999449 /nfs/dbraw/zinc/99/94/49/520999449.db2.gz VHFFBJDTBMDSLW-UHFFFAOYSA-N 1 3 374.525 2.725 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000618551935 521118549 /nfs/dbraw/zinc/11/85/49/521118549.db2.gz YSARQTXSVXXGSV-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000618551935 521118554 /nfs/dbraw/zinc/11/85/54/521118554.db2.gz YSARQTXSVXXGSV-PXNSSMCTSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCCN(C)C3)cc2)C1 ZINC000618551887 521118653 /nfs/dbraw/zinc/11/86/53/521118653.db2.gz OTFPRDWVINXTTN-PXNSSMCTSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCN(C)C3)cc2)C1 ZINC000618551887 521118659 /nfs/dbraw/zinc/11/86/59/521118659.db2.gz OTFPRDWVINXTTN-PXNSSMCTSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606643121 521119597 /nfs/dbraw/zinc/11/95/97/521119597.db2.gz PUAUHKUJWOTJCC-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606660128 521128017 /nfs/dbraw/zinc/12/80/17/521128017.db2.gz QZHCZDPIHURCKT-UYAOXDASSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000608290122 521646243 /nfs/dbraw/zinc/64/62/43/521646243.db2.gz NRJGTLZRMAWGGQ-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000608290122 521646246 /nfs/dbraw/zinc/64/62/46/521646246.db2.gz NRJGTLZRMAWGGQ-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO C[N@H+](CCCNC(=O)Nc1ccc2c(c1)OCCNC2)Cc1ccccc1 ZINC000625944406 521800763 /nfs/dbraw/zinc/80/07/63/521800763.db2.gz GTSGWGBCXICYLR-UHFFFAOYSA-N 1 3 368.481 2.812 20 0 FFADHO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1)OCCNC2)Cc1ccccc1 ZINC000625944406 521800768 /nfs/dbraw/zinc/80/07/68/521800768.db2.gz GTSGWGBCXICYLR-UHFFFAOYSA-N 1 3 368.481 2.812 20 0 FFADHO Fc1ccc2oc(CNCCCN3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000634957183 521834778 /nfs/dbraw/zinc/83/47/78/521834778.db2.gz FLWFNKQOAKPJLF-UHFFFAOYSA-N 1 3 369.444 2.664 20 0 FFADHO C[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000635004392 521860502 /nfs/dbraw/zinc/86/05/02/521860502.db2.gz DWZRCGPREYZWLL-MAUKXSAKSA-N 1 3 361.511 2.669 20 0 FFADHO COc1cc(F)c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1OC ZINC000635010359 521863507 /nfs/dbraw/zinc/86/35/07/521863507.db2.gz SJGQXAZPNQTWCS-ZDUSSCGKSA-N 1 3 360.433 2.821 20 0 FFADHO Cn1ccc([C@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2ccc(F)cc2)n1 ZINC000635009364 521864297 /nfs/dbraw/zinc/86/42/97/521864297.db2.gz NCCOXWQAEPJEQF-HXUWFJFHSA-N 1 3 366.444 2.565 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000623337984 521948292 /nfs/dbraw/zinc/94/82/92/521948292.db2.gz FKZWJOSIDIPWHU-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000623337984 521948302 /nfs/dbraw/zinc/94/83/02/521948302.db2.gz FKZWJOSIDIPWHU-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623476566 522054651 /nfs/dbraw/zinc/05/46/51/522054651.db2.gz FWDPZMJCHRYLCN-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623476566 522054658 /nfs/dbraw/zinc/05/46/58/522054658.db2.gz FWDPZMJCHRYLCN-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000620551016 522289641 /nfs/dbraw/zinc/28/96/41/522289641.db2.gz XNJYHJVPYJZMBZ-HZPDHXFCSA-N 1 3 352.548 2.915 20 0 FFADHO C[C@@H](Cc1ccc(F)c(Br)c1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629572327 522324135 /nfs/dbraw/zinc/32/41/35/522324135.db2.gz ZPDWYUUHZDRFNL-GXTWGEPZSA-N 1 3 359.283 2.566 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC000626622657 522329677 /nfs/dbraw/zinc/32/96/77/522329677.db2.gz HLZBGVPNFVDXDJ-UHFFFAOYSA-N 1 3 364.387 2.802 20 0 FFADHO CSc1ccc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590905 522339665 /nfs/dbraw/zinc/33/96/65/522339665.db2.gz XGBZXDFKOGSSIU-SFHVURJKSA-N 1 3 350.528 2.878 20 0 FFADHO C[NH2+]CCOCCN(C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000629655020 522376140 /nfs/dbraw/zinc/37/61/40/522376140.db2.gz VVQCHAVRYQQJSX-UHFFFAOYSA-N 1 3 367.234 2.718 20 0 FFADHO CN(C)Cc1ccc(F)c(-c2ccc(NC(=O)C3CC[NH2+]CC3)nc2)c1 ZINC000629737768 522426584 /nfs/dbraw/zinc/42/65/84/522426584.db2.gz YVOWUMWOKNLRLC-UHFFFAOYSA-N 1 3 356.445 2.887 20 0 FFADHO CN1CCC(n2cc(NC(=O)N(CCC[NH3+])CC3CCCC3)cn2)CC1 ZINC000632960031 522429165 /nfs/dbraw/zinc/42/91/65/522429165.db2.gz ABIFFIKVMLEHJE-UHFFFAOYSA-N 1 3 362.522 2.523 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccsc1 ZINC000626933615 522539789 /nfs/dbraw/zinc/53/97/89/522539789.db2.gz MOMNUFCARMAOKF-QRQLOZEOSA-N 1 3 364.559 2.772 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCNC[C@@H]2C(C)C)[NH+](C)C)cc1 ZINC000627045665 522613509 /nfs/dbraw/zinc/61/35/09/522613509.db2.gz QRKFWHJQWOWLJK-MSOLQXFVSA-N 1 3 364.559 2.651 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000624344615 522620469 /nfs/dbraw/zinc/62/04/69/522620469.db2.gz NYBCXFJDLFGVEM-UWJYYQICSA-N 1 3 355.526 2.825 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C[NH2+]1 ZINC000627200855 522713057 /nfs/dbraw/zinc/71/30/57/522713057.db2.gz UMZWJUBYQWXBPY-UZKOGDIHSA-N 1 3 370.541 2.825 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000627237705 522732622 /nfs/dbraw/zinc/73/26/22/522732622.db2.gz JDADHAPQVWSKRF-YSIASYRMSA-N 1 3 358.530 2.823 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000621642092 522991757 /nfs/dbraw/zinc/99/17/57/522991757.db2.gz DEMMRKOYIQFQJI-AWEZNQCLSA-N 1 3 353.894 2.999 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636487704 523013564 /nfs/dbraw/zinc/01/35/64/523013564.db2.gz WGTBMELDJAMBPM-MRXNPFEDSA-N 1 3 362.522 2.536 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636487704 523013572 /nfs/dbraw/zinc/01/35/72/523013572.db2.gz WGTBMELDJAMBPM-MRXNPFEDSA-N 1 3 362.522 2.536 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCC(N2CCCOCC2)CC1 ZINC000627739870 523067944 /nfs/dbraw/zinc/06/79/44/523067944.db2.gz UPIULNYSWYKLBS-UHFFFAOYSA-N 1 3 353.551 2.602 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)C[C@@H]1C ZINC000637372020 523590883 /nfs/dbraw/zinc/59/08/83/523590883.db2.gz IIHYYNWAWHCFHF-YTQUADARSA-N 1 3 350.551 2.908 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)C[C@@H]1C ZINC000637372020 523590897 /nfs/dbraw/zinc/59/08/97/523590897.db2.gz IIHYYNWAWHCFHF-YTQUADARSA-N 1 3 350.551 2.908 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634734048 523619874 /nfs/dbraw/zinc/61/98/74/523619874.db2.gz VRPVCXZGEZNXGS-HUUCEWRRSA-N 1 3 363.502 2.789 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCCC[NH2+]C(C)C)N2CCCC2)c1 ZINC000637469118 523651458 /nfs/dbraw/zinc/65/14/58/523651458.db2.gz OWTBIPKENLJGCF-IBGZPJMESA-N 1 3 362.518 2.519 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000637485841 523661422 /nfs/dbraw/zinc/66/14/22/523661422.db2.gz KRIGKFUHIGEDNX-VQTJNVASSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631565896 523696136 /nfs/dbraw/zinc/69/61/36/523696136.db2.gz KPXFYVAFVLUULZ-IBGZPJMESA-N 1 3 361.530 2.916 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000631663660 523740898 /nfs/dbraw/zinc/74/08/98/523740898.db2.gz KKBQZQDUKAKJSW-LSWJPFSZSA-N 1 3 371.569 2.988 20 0 FFADHO Cc1cnc(NC2CCN(C3CC3)CC2)nc1NC1CC[NH+](C2CC2)CC1 ZINC000531014336 562432015 /nfs/dbraw/zinc/43/20/15/562432015.db2.gz VRDQUYIOKOTBDX-UHFFFAOYSA-N 1 3 370.545 2.862 20 0 FFADHO Cc1cc(Br)ccc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000091846810 728463002 /nfs/dbraw/zinc/46/30/02/728463002.db2.gz WBTPMWMYQUQNCG-UHFFFAOYSA-N 1 3 354.292 2.898 20 0 FFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000236745093 729555200 /nfs/dbraw/zinc/55/52/00/729555200.db2.gz ANVSFCUFHNAHNS-QGZVFWFLSA-N 1 3 350.482 2.668 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000271638803 729697523 /nfs/dbraw/zinc/69/75/23/729697523.db2.gz ZLQGLXGXGBKQQN-MRXNPFEDSA-N 1 3 353.304 2.873 20 0 FFADHO COC[C@H](CCCNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322969259 729754186 /nfs/dbraw/zinc/75/41/86/729754186.db2.gz XXEOEMCUKREDMY-XYTVBORESA-N 1 3 355.523 2.521 20 0 FFADHO COC[C@H](CCCNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322969259 729754187 /nfs/dbraw/zinc/75/41/87/729754187.db2.gz XXEOEMCUKREDMY-XYTVBORESA-N 1 3 355.523 2.521 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000638802213 730045279 /nfs/dbraw/zinc/04/52/79/730045279.db2.gz LAMIAORTNOTXBW-OAHLLOKOSA-N 1 3 369.912 2.883 20 0 FFADHO CN1CC[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000638802452 730045425 /nfs/dbraw/zinc/04/54/25/730045425.db2.gz OYCSFVDDVQFBTI-MOPGFXCFSA-N 1 3 365.949 2.910 20 0 FFADHO CN1CC[C@@H](NC2CC[NH+](CC(C)(C)O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000638802452 730045427 /nfs/dbraw/zinc/04/54/27/730045427.db2.gz OYCSFVDDVQFBTI-MOPGFXCFSA-N 1 3 365.949 2.910 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(s1)CCNC2 ZINC000638802698 730045609 /nfs/dbraw/zinc/04/56/09/730045609.db2.gz BMFNCDGPAITOHE-INIZCTEOSA-N 1 3 355.507 2.646 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(s1)CCNC2 ZINC000638802698 730045613 /nfs/dbraw/zinc/04/56/13/730045613.db2.gz BMFNCDGPAITOHE-INIZCTEOSA-N 1 3 355.507 2.646 20 0 FFADHO CCCN(C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645168369 730531719 /nfs/dbraw/zinc/53/17/19/730531719.db2.gz QOZBMJMZLOVVLS-OTWHNJEPSA-N 1 3 352.567 2.870 20 0 FFADHO CCCN(C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645168369 730531721 /nfs/dbraw/zinc/53/17/21/730531721.db2.gz QOZBMJMZLOVVLS-OTWHNJEPSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000646254362 730646145 /nfs/dbraw/zinc/64/61/45/730646145.db2.gz NHQUIGQXNWSLGQ-XJKSGUPXSA-N 1 3 357.420 2.594 20 0 FFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(Br)n1 ZINC000925214939 738489934 /nfs/dbraw/zinc/48/99/34/738489934.db2.gz JMLCKIAVJBTWNG-CYBMUJFWSA-N 1 3 355.324 2.521 20 0 FFADHO COc1cc(CN[C@H](C)C2CC[NH+](C)CC2)c(Br)cc1O ZINC000647361695 730738603 /nfs/dbraw/zinc/73/86/03/730738603.db2.gz MZVNOEFODYOHRF-LLVKDONJSA-N 1 3 357.292 2.983 20 0 FFADHO Brc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCO2 ZINC000647546173 730749431 /nfs/dbraw/zinc/74/94/31/730749431.db2.gz COBUVHXRMAHHCJ-CHWSQXEVSA-N 1 3 367.287 2.999 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccns3)CC2)CC1 ZINC000863612454 730796129 /nfs/dbraw/zinc/79/61/29/730796129.db2.gz AUQZJAWQUHUUSD-AWEZNQCLSA-N 1 3 350.532 2.517 20 0 FFADHO COCC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000650086561 730954985 /nfs/dbraw/zinc/95/49/85/730954985.db2.gz BKMFQWKZBHDFLM-IRXDYDNUSA-N 1 3 360.420 2.829 20 0 FFADHO CC1(C)C[C@@H](NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C[C@@H]([NH3+])C1 ZINC000925515254 738512037 /nfs/dbraw/zinc/51/20/37/738512037.db2.gz QUTHMXJJWKOENQ-VNHYZAJKSA-N 1 3 354.878 2.640 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccsc1 ZINC000868052074 731254919 /nfs/dbraw/zinc/25/49/19/731254919.db2.gz NLBPUYKEJVBTCB-BPQIPLTHSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1ccsc1 ZINC000868052074 731254921 /nfs/dbraw/zinc/25/49/21/731254921.db2.gz NLBPUYKEJVBTCB-BPQIPLTHSA-N 1 3 364.559 2.867 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654658265 731381759 /nfs/dbraw/zinc/38/17/59/731381759.db2.gz NCVAIZHYYYSMMR-MAEOIBBWSA-N 1 3 366.937 2.753 20 0 FFADHO CCN(CC)[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000655688806 731498790 /nfs/dbraw/zinc/49/87/90/731498790.db2.gz JATFTQLUEPXCSM-RTBURBONSA-N 1 3 351.560 2.974 20 0 FFADHO COc1c(C)cc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000925849062 738535989 /nfs/dbraw/zinc/53/59/89/738535989.db2.gz HBZKYKQDDANHAJ-ZFWWWQNUSA-N 1 3 366.889 2.993 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc(Br)cn1 ZINC000658106420 731848064 /nfs/dbraw/zinc/84/80/64/731848064.db2.gz HPAHIKWUOPRJOB-KBPBESRZSA-N 1 3 357.340 2.767 20 0 FFADHO CS(=O)(=O)c1cccc([C@@H](NC[C@H]2C[C@H]([NH3+])C2)c2ccc(F)cc2)c1 ZINC000873258658 731895564 /nfs/dbraw/zinc/89/55/64/731895564.db2.gz UDUJJJKTRQIYIV-IXDGSTSKSA-N 1 3 362.470 2.646 20 0 FFADHO COc1cc(F)c([C@@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1OC ZINC000873292221 731897731 /nfs/dbraw/zinc/89/77/31/731897731.db2.gz PNISPKUEYSZNQR-KGLIPLIRSA-N 1 3 352.450 2.652 20 0 FFADHO C[C@@H]1CN(CCc2nsc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660153759 732073522 /nfs/dbraw/zinc/07/35/22/732073522.db2.gz HNEKDHJATICYKS-VQIMIIECSA-N 1 3 358.555 2.797 20 0 FFADHO C[C@@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000660153759 732073526 /nfs/dbraw/zinc/07/35/26/732073526.db2.gz HNEKDHJATICYKS-VQIMIIECSA-N 1 3 358.555 2.797 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2nsc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000660153759 732073532 /nfs/dbraw/zinc/07/35/32/732073532.db2.gz HNEKDHJATICYKS-VQIMIIECSA-N 1 3 358.555 2.797 20 0 FFADHO COc1cccc(SCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000660157522 732074317 /nfs/dbraw/zinc/07/43/17/732074317.db2.gz UWTGIBFQDOFEOD-XLIONFOSSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000660157522 732074322 /nfs/dbraw/zinc/07/43/22/732074322.db2.gz UWTGIBFQDOFEOD-XLIONFOSSA-N 1 3 363.571 2.745 20 0 FFADHO COc1cccc(SCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000660157522 732074327 /nfs/dbraw/zinc/07/43/27/732074327.db2.gz UWTGIBFQDOFEOD-XLIONFOSSA-N 1 3 363.571 2.745 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000875004112 732119381 /nfs/dbraw/zinc/11/93/81/732119381.db2.gz JCDPBPURMRBGHE-IKGGRYGDSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000875004112 732119382 /nfs/dbraw/zinc/11/93/82/732119382.db2.gz JCDPBPURMRBGHE-IKGGRYGDSA-N 1 3 362.543 2.621 20 0 FFADHO CCOC(=O)c1csc(CC[NH2+]C2CCN(CCC(C)C)CC2)n1 ZINC000926251675 738586433 /nfs/dbraw/zinc/58/64/33/738586433.db2.gz MGFLVEUVXVOWPK-UHFFFAOYSA-N 1 3 353.532 2.962 20 0 FFADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000876743742 732275561 /nfs/dbraw/zinc/27/55/61/732275561.db2.gz LMTCMQFSVVIIEN-TVXHNZNVSA-N 1 3 359.539 2.628 20 0 FFADHO FC(F)(F)c1csc([C@@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662278899 732291854 /nfs/dbraw/zinc/29/18/54/732291854.db2.gz NQVPJALQFFVRTL-NEPJUHHUSA-N 1 3 361.433 2.862 20 0 FFADHO COC(=O)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Br ZINC000876929310 732298408 /nfs/dbraw/zinc/29/84/08/732298408.db2.gz HRAZUPADUDBYAN-CYBMUJFWSA-N 1 3 367.287 2.810 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cc2ccccc2s1 ZINC000663818926 732497941 /nfs/dbraw/zinc/49/79/41/732497941.db2.gz JXYHTQPVKOZZTC-HNNXBMFYSA-N 1 3 362.543 2.973 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cc2ccccc2s1 ZINC000663818926 732497943 /nfs/dbraw/zinc/49/79/43/732497943.db2.gz JXYHTQPVKOZZTC-HNNXBMFYSA-N 1 3 362.543 2.973 20 0 FFADHO C[NH+]1CCC(NC(=O)CN[C@H](Cc2ccccc2)c2cccs2)CC1 ZINC000878410334 732528244 /nfs/dbraw/zinc/52/82/44/732528244.db2.gz ZIPSUXJYWCHASG-GOSISDBHSA-N 1 3 357.523 2.832 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Br)c1 ZINC000664314582 732566689 /nfs/dbraw/zinc/56/66/89/732566689.db2.gz MDVLUGTZUIWASK-ZDUSSCGKSA-N 1 3 371.323 2.843 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Br)c1 ZINC000664314582 732566693 /nfs/dbraw/zinc/56/66/93/732566693.db2.gz MDVLUGTZUIWASK-ZDUSSCGKSA-N 1 3 371.323 2.843 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664629232 732610408 /nfs/dbraw/zinc/61/04/08/732610408.db2.gz JTLLZQMSEULVOG-XYJFISCASA-N 1 3 350.551 2.811 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664629232 732610411 /nfs/dbraw/zinc/61/04/11/732610411.db2.gz JTLLZQMSEULVOG-XYJFISCASA-N 1 3 350.551 2.811 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(OC(F)F)cc1 ZINC000665180105 732676278 /nfs/dbraw/zinc/67/62/78/732676278.db2.gz LNPZSHVTEINWQN-ZDUSSCGKSA-N 1 3 358.433 2.682 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(OC(F)F)cc1 ZINC000665180105 732676282 /nfs/dbraw/zinc/67/62/82/732676282.db2.gz LNPZSHVTEINWQN-ZDUSSCGKSA-N 1 3 358.433 2.682 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000665759539 732752139 /nfs/dbraw/zinc/75/21/39/732752139.db2.gz JJUHAWHQRLCCDC-YJBOKZPZSA-N 1 3 350.482 2.554 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000665759539 732752144 /nfs/dbraw/zinc/75/21/44/732752144.db2.gz JJUHAWHQRLCCDC-YJBOKZPZSA-N 1 3 350.482 2.554 20 0 FFADHO COc1cc(Br)c(CN[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950906 732921985 /nfs/dbraw/zinc/92/19/85/732921985.db2.gz PXGCIXVPFGROMR-HNNXBMFYSA-N 1 3 355.276 2.698 20 0 FFADHO C[C@@H](NCC1(S(=O)(=O)NC(C)(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926849635 738661296 /nfs/dbraw/zinc/66/12/96/738661296.db2.gz FAHDZFWYQQVMMM-OAHLLOKOSA-N 1 3 367.559 2.649 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C)CC(F)(F)C3)CC2)CC1 ZINC000881525478 733064863 /nfs/dbraw/zinc/06/48/63/733064863.db2.gz DRCNIAIEVCBUND-UHFFFAOYSA-N 1 3 357.489 2.734 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000668644691 733149209 /nfs/dbraw/zinc/14/92/09/733149209.db2.gz HYRMCDWPHVPXCG-SJORKVTESA-N 1 3 364.559 2.962 20 0 FFADHO CS(=O)(=O)CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886594612 733807369 /nfs/dbraw/zinc/80/73/69/733807369.db2.gz QCWHONIFUFAMLI-ZCNNSNEGSA-N 1 3 364.555 2.844 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)C2CC[NH+](C)CC2)s1 ZINC000675780097 733811255 /nfs/dbraw/zinc/81/12/55/733811255.db2.gz BAGHCPLTWGECSN-CQSZACIVSA-N 1 3 373.588 2.599 20 0 FFADHO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000677215284 733925736 /nfs/dbraw/zinc/92/57/36/733925736.db2.gz FTMUAPOHBVPGKU-MRXNPFEDSA-N 1 3 368.953 2.791 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2C3CCC2(C[NH3+])CC3)N(C)C)cc1 ZINC000891922190 734495188 /nfs/dbraw/zinc/49/51/88/734495188.db2.gz HRVZEZSKRSWFNQ-RMXPPQQLSA-N 1 3 362.543 2.677 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C)C(C)(C)C3(C)C)CC2)CC1 ZINC000892522174 734569120 /nfs/dbraw/zinc/56/91/20/734569120.db2.gz RRADPILERCOHIL-UHFFFAOYSA-N 1 3 350.551 2.669 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000892590764 734577363 /nfs/dbraw/zinc/57/73/63/734577363.db2.gz KYBXNQVGQKACSB-NBMRYCAZSA-N 1 3 364.921 2.773 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897557033 735247203 /nfs/dbraw/zinc/24/72/03/735247203.db2.gz CZIPLDCONATRSQ-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897557033 735247207 /nfs/dbraw/zinc/24/72/07/735247207.db2.gz CZIPLDCONATRSQ-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO FC(F)Oc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903510106 736103995 /nfs/dbraw/zinc/10/39/95/736103995.db2.gz ORDSGRJSZFALAG-CALCHBBNSA-N 1 3 351.441 2.689 20 0 FFADHO FC(F)Oc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903510106 736103996 /nfs/dbraw/zinc/10/39/96/736103996.db2.gz ORDSGRJSZFALAG-CALCHBBNSA-N 1 3 351.441 2.689 20 0 FFADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2ccccc2C(F)(F)F)cnn1C ZINC000903921543 736188974 /nfs/dbraw/zinc/18/89/74/736188974.db2.gz OYZRYAJHDGBDOF-AWEZNQCLSA-N 1 3 354.420 2.697 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CC(C(F)F)C2)cc1 ZINC000768710950 737451398 /nfs/dbraw/zinc/45/13/98/737451398.db2.gz BFJFFNMPNPQNKO-UHFFFAOYSA-N 1 3 351.441 2.646 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922385766 738134770 /nfs/dbraw/zinc/13/47/70/738134770.db2.gz AJMVVZWTTNJWDT-RWQQGDIJSA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922385766 738134773 /nfs/dbraw/zinc/13/47/73/738134773.db2.gz AJMVVZWTTNJWDT-RWQQGDIJSA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc([C@@H]3CCCO3)s1)C2 ZINC000922389863 738135775 /nfs/dbraw/zinc/13/57/75/738135775.db2.gz XXYQUGXKTSILHW-QLCXLMDBSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc([C@@H]3CCCO3)s1)C2 ZINC000922389863 738135781 /nfs/dbraw/zinc/13/57/81/738135781.db2.gz XXYQUGXKTSILHW-QLCXLMDBSA-N 1 3 365.543 2.564 20 0 FFADHO C[C@H](NC(CN)C[NH3+])c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000923352618 738274840 /nfs/dbraw/zinc/27/48/40/738274840.db2.gz YIIPMNHCWAQUSG-ZDUSSCGKSA-N 1 3 357.889 2.675 20 0 FFADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1Cl ZINC000819172765 742347469 /nfs/dbraw/zinc/34/74/69/742347469.db2.gz GCCWQPWBDPCUGG-QYZOEREBSA-N 1 3 352.906 2.731 20 0 FFADHO CC[C@@](C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000933517599 739642177 /nfs/dbraw/zinc/64/21/77/739642177.db2.gz YBAZRPAAFYGWOK-MRXNPFEDSA-N 1 3 364.456 2.575 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802720266 740720541 /nfs/dbraw/zinc/72/05/41/740720541.db2.gz FIKKPPLQRNTTHN-SJORKVTESA-N 1 3 368.978 2.891 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802720266 740720543 /nfs/dbraw/zinc/72/05/43/740720543.db2.gz FIKKPPLQRNTTHN-SJORKVTESA-N 1 3 368.978 2.891 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000810252222 741401891 /nfs/dbraw/zinc/40/18/91/741401891.db2.gz LWFCCBGOSJOQID-HXUWFJFHSA-N 1 3 353.526 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(CCC(F)(F)F)CC3)CC[N@@H+]1C ZINC000990765750 741728044 /nfs/dbraw/zinc/72/80/44/741728044.db2.gz SYDYLZLKBMKTEY-QSJFSLAZSA-N 1 3 361.452 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(CCC(F)(F)F)CC3)CC[N@H+]1C ZINC000990765750 741728048 /nfs/dbraw/zinc/72/80/48/741728048.db2.gz SYDYLZLKBMKTEY-QSJFSLAZSA-N 1 3 361.452 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(CCC(F)(F)F)CC3)CC[N@@H+]1C ZINC000990765749 741728251 /nfs/dbraw/zinc/72/82/51/741728251.db2.gz SYDYLZLKBMKTEY-KLZNWCGWSA-N 1 3 361.452 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(CCC(F)(F)F)CC3)CC[N@H+]1C ZINC000990765749 741728254 /nfs/dbraw/zinc/72/82/54/741728254.db2.gz SYDYLZLKBMKTEY-KLZNWCGWSA-N 1 3 361.452 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3cc(C)ns3)C(C)(C)C2)CC[N@@H+]1C ZINC000995840150 741962988 /nfs/dbraw/zinc/96/29/88/741962988.db2.gz MIAJYGDVQXPHPY-GVDBMIGSSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3cc(C)ns3)C(C)(C)C2)CC[N@H+]1C ZINC000995840150 741962991 /nfs/dbraw/zinc/96/29/91/741962991.db2.gz MIAJYGDVQXPHPY-GVDBMIGSSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1C[C@@H](NC[C@](C)(O)c2ccc(Br)cc2F)CC[N@@H+]1C ZINC000819101906 742337436 /nfs/dbraw/zinc/33/74/36/742337436.db2.gz BAPNHOBXXRPLMG-FFSVYQOJSA-N 1 3 359.283 2.868 20 0 FFADHO C[C@@H]1C[C@@H](NC[C@](C)(O)c2ccc(Br)cc2F)CC[N@H+]1C ZINC000819101906 742337441 /nfs/dbraw/zinc/33/74/41/742337441.db2.gz BAPNHOBXXRPLMG-FFSVYQOJSA-N 1 3 359.283 2.868 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000819175064 742348012 /nfs/dbraw/zinc/34/80/12/742348012.db2.gz SWCGSZFGFFTLDK-FGTMMUONSA-N 1 3 373.324 2.994 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1Cl ZINC000819174012 742348181 /nfs/dbraw/zinc/34/81/81/742348181.db2.gz NVHXXAMMPKPGIB-GBESFXJTSA-N 1 3 370.896 2.870 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC001034939893 742936674 /nfs/dbraw/zinc/93/66/74/742936674.db2.gz QESIOSUAIHBFFY-KBRIMQKVSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cc(Cl)ccc2F)CC[N@H+]1C ZINC001034939893 742936676 /nfs/dbraw/zinc/93/66/76/742936676.db2.gz QESIOSUAIHBFFY-KBRIMQKVSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cccc(Cl)c2F)CC[N@@H+]1C ZINC001045044160 743245410 /nfs/dbraw/zinc/24/54/10/743245410.db2.gz VUECOCRRINGNRF-VNQPRFMTSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cccc(Cl)c2F)CC[N@H+]1C ZINC001045044160 743245420 /nfs/dbraw/zinc/24/54/20/743245420.db2.gz VUECOCRRINGNRF-VNQPRFMTSA-N 1 3 367.896 2.900 20 0 FFADHO Cc1cc([C@H]([NH3+])CC(=O)NCCN(C)Cc2ccccc2)cc(Cl)n1 ZINC000827555904 743601228 /nfs/dbraw/zinc/60/12/28/743601228.db2.gz DUEQKVIFFQJWML-QGZVFWFLSA-N 1 3 360.889 2.682 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2CC([NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000831960863 745611461 /nfs/dbraw/zinc/61/14/61/745611461.db2.gz OZWIUKHUJYILKB-UYSNPLJNSA-N 1 3 350.894 2.566 20 0 FFADHO COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1SC(F)(F)F ZINC000843349377 747815549 /nfs/dbraw/zinc/81/55/49/747815549.db2.gz XMYXAGMASTTZMM-UHFFFAOYSA-N 1 3 363.449 2.644 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000844187702 747984963 /nfs/dbraw/zinc/98/49/63/747984963.db2.gz KCOGPBKQMWATLO-KCXAZCMYSA-N 1 3 352.910 2.622 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)[C@H](C)C1 ZINC000844187702 747984967 /nfs/dbraw/zinc/98/49/67/747984967.db2.gz KCOGPBKQMWATLO-KCXAZCMYSA-N 1 3 352.910 2.622 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000853029524 749988490 /nfs/dbraw/zinc/98/84/90/749988490.db2.gz UXRDNGFNFRKRRC-IBGZPJMESA-N 1 3 360.571 2.599 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000853029524 749988493 /nfs/dbraw/zinc/98/84/93/749988493.db2.gz UXRDNGFNFRKRRC-IBGZPJMESA-N 1 3 360.571 2.599 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001104809214 970872555 /nfs/dbraw/zinc/87/25/55/970872555.db2.gz BFKMAYYKEPOOAC-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001104812776 970888374 /nfs/dbraw/zinc/88/83/74/970888374.db2.gz UXJXYVFAZPGTSC-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CCCCOCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104833001 970956557 /nfs/dbraw/zinc/95/65/57/970956557.db2.gz HGBRBLLWOWFBAR-WOJBJXKFSA-N 1 3 367.578 2.609 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C)C[C@@H]3C2)c1 ZINC001087908434 971061108 /nfs/dbraw/zinc/06/11/08/971061108.db2.gz BXTQNGOZOBQDDG-IMFGXOCKSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C)C[C@@H]3C2)c1 ZINC001087908434 971061113 /nfs/dbraw/zinc/06/11/13/971061113.db2.gz BXTQNGOZOBQDDG-IMFGXOCKSA-N 1 3 359.489 2.509 20 0 FFADHO CCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000652015753 971125431 /nfs/dbraw/zinc/12/54/31/971125431.db2.gz LBJBHLSKHIRDCT-JSXRDJHFSA-N 1 3 355.526 2.745 20 0 FFADHO COc1ccc([C@@H](CO)N(C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000093415322 971269815 /nfs/dbraw/zinc/26/98/15/971269815.db2.gz RGBXZVFIZYBYKR-OAQYLSRUSA-N 1 3 358.482 2.801 20 0 FFADHO COc1ccc(CN2CC[C@@H](N3CCC(CCC[NH+](C)C)CC3)C2=O)cc1 ZINC000660156517 971386513 /nfs/dbraw/zinc/38/65/13/971386513.db2.gz GXZDJBMQZDVVCB-OAQYLSRUSA-N 1 3 373.541 2.850 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(C)C)C1 ZINC001105067129 971444858 /nfs/dbraw/zinc/44/48/58/971444858.db2.gz ODJSTUHISWDYJA-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CO[C@H](C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)C1CCCC1 ZINC001105066983 971448197 /nfs/dbraw/zinc/44/81/97/971448197.db2.gz IBADENDJWNWZGH-MISYRCLQSA-N 1 3 367.578 2.606 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000896519990 971533577 /nfs/dbraw/zinc/53/35/77/971533577.db2.gz BRUOKQMYXGKFRS-XLIONFOSSA-N 1 3 359.514 2.679 20 0 FFADHO [NH3+]CCC[C@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccccc1 ZINC000925643646 971612498 /nfs/dbraw/zinc/61/24/98/971612498.db2.gz XQGKCRWPLAIPMI-SFHVURJKSA-N 1 3 351.454 2.954 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](C/C=C\c4ccccc4)CC[C@@H]3C2)CCC1 ZINC001087992412 971736098 /nfs/dbraw/zinc/73/60/98/971736098.db2.gz UOKJOZPDDAABPM-KFAOPYMTSA-N 1 3 367.537 2.964 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](C/C=C\c4ccccc4)CC[C@@H]3C2)CCC1 ZINC001087992412 971736104 /nfs/dbraw/zinc/73/61/04/971736104.db2.gz UOKJOZPDDAABPM-KFAOPYMTSA-N 1 3 367.537 2.964 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2c(F)cccc2F)C1 ZINC001112523190 972021202 /nfs/dbraw/zinc/02/12/02/972021202.db2.gz HENTWJDGGYDFBY-YWZLYKJASA-N 1 3 365.468 2.635 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000660573552 972257153 /nfs/dbraw/zinc/25/71/53/972257153.db2.gz IKSCVDCZPNUOOW-HXUWFJFHSA-N 1 3 374.504 2.841 20 0 FFADHO O[C@@H](c1ccccc1)C1(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872214732 1013182543 /nfs/dbraw/zinc/18/25/43/1013182543.db2.gz CEXIFWKGQJAKPL-JTHBVZDNSA-N 1 3 366.505 2.727 20 0 FFADHO O[C@@H](c1ccccc1)C1(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872214732 1013182547 /nfs/dbraw/zinc/18/25/47/1013182547.db2.gz CEXIFWKGQJAKPL-JTHBVZDNSA-N 1 3 366.505 2.727 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652137600 972374489 /nfs/dbraw/zinc/37/44/89/972374489.db2.gz QRKJAHBYWUGHIV-KXBFYZLASA-N 1 3 370.472 2.919 20 0 FFADHO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000655247173 959635070 /nfs/dbraw/zinc/63/50/70/959635070.db2.gz VDIJQPBMPPNYOT-UIFIKXQLSA-N 1 3 357.542 2.786 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000046279291 961606251 /nfs/dbraw/zinc/60/62/51/961606251.db2.gz QYCWRLVWUYGISW-LJQANCHMSA-N 1 3 360.546 2.943 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001104287409 961818629 /nfs/dbraw/zinc/81/86/29/961818629.db2.gz FPGLBTMNGYIZQF-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001095437924 1013372571 /nfs/dbraw/zinc/37/25/71/1013372571.db2.gz OOFZVYZJRFAWBS-JFHUYLGKSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001095437924 1013372582 /nfs/dbraw/zinc/37/25/82/1013372582.db2.gz OOFZVYZJRFAWBS-JFHUYLGKSA-N 1 3 355.526 2.865 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001087135149 963078763 /nfs/dbraw/zinc/07/87/63/963078763.db2.gz SMUNJMDQKKLBDR-MDASCCDHSA-N 1 3 365.468 2.776 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c(C)c1 ZINC000873242795 1013442599 /nfs/dbraw/zinc/44/25/99/1013442599.db2.gz FDOQZKCHFDYFTN-OAHLLOKOSA-N 1 3 351.454 2.894 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)c(C)c2)CC1 ZINC000873299906 1013466936 /nfs/dbraw/zinc/46/69/36/1013466936.db2.gz NWAMCFHHNJYGCX-FPOVZHCZSA-N 1 3 371.529 2.543 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCN(C)C1 ZINC000664324446 964124613 /nfs/dbraw/zinc/12/46/13/964124613.db2.gz SOIFCIRTSCKKQR-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCN(C)C1 ZINC000664324446 964124621 /nfs/dbraw/zinc/12/46/21/964124621.db2.gz SOIFCIRTSCKKQR-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CN1C1CC1 ZINC000664368514 964204192 /nfs/dbraw/zinc/20/41/92/964204192.db2.gz SVWDZRQMGMFRRF-LMNJBCLMSA-N 1 3 370.541 2.570 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CN1C1CC1 ZINC000664368514 964204204 /nfs/dbraw/zinc/20/42/04/964204204.db2.gz SVWDZRQMGMFRRF-LMNJBCLMSA-N 1 3 370.541 2.570 20 0 FFADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000873321593 1013481883 /nfs/dbraw/zinc/48/18/83/1013481883.db2.gz SORKWCJQZKBALP-IBGZPJMESA-N 1 3 352.482 2.627 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891556992 964482127 /nfs/dbraw/zinc/48/21/27/964482127.db2.gz MWRUWMYABWRTDB-AQNXPRMDSA-N 1 3 356.514 2.750 20 0 FFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1)N1CCCC1 ZINC001112506698 964675303 /nfs/dbraw/zinc/67/53/03/964675303.db2.gz AJVFZZVWNPGSTQ-GZWGRDOWSA-N 1 3 353.938 2.832 20 0 FFADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925020607 964798777 /nfs/dbraw/zinc/79/87/77/964798777.db2.gz RBEANMMKPYZOOQ-MRXNPFEDSA-N 1 3 361.530 2.507 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCc2cc(F)ccc2OC)CC[N@@H+]1C ZINC001482290072 965119697 /nfs/dbraw/zinc/11/96/97/965119697.db2.gz YHTLBBKONRICLD-FHLIZLRMSA-N 1 3 365.493 2.501 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCc2cc(F)ccc2OC)CC[N@H+]1C ZINC001482290072 965119702 /nfs/dbraw/zinc/11/97/02/965119702.db2.gz YHTLBBKONRICLD-FHLIZLRMSA-N 1 3 365.493 2.501 20 0 FFADHO CC(C)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087469257 965291832 /nfs/dbraw/zinc/29/18/32/965291832.db2.gz SDCFCYPIIURRHF-PWIZWCRZSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087469257 965291845 /nfs/dbraw/zinc/29/18/45/965291845.db2.gz SDCFCYPIIURRHF-PWIZWCRZSA-N 1 3 361.505 2.850 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000664803891 965333508 /nfs/dbraw/zinc/33/35/08/965333508.db2.gz CBEDWGOADVHKJP-ULQDDVLXSA-N 1 3 364.509 2.643 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000664803891 965333521 /nfs/dbraw/zinc/33/35/21/965333521.db2.gz CBEDWGOADVHKJP-ULQDDVLXSA-N 1 3 364.509 2.643 20 0 FFADHO CC(C)N(C)Cc1nn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2c1CCNC2 ZINC001167989022 966124141 /nfs/dbraw/zinc/12/41/41/966124141.db2.gz WWIAINUBHQCTQN-DFNIBXOVSA-N 1 3 371.573 2.947 20 0 FFADHO CC(C)N(C)Cc1nn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2c1CCNC2 ZINC001167989022 966124147 /nfs/dbraw/zinc/12/41/47/966124147.db2.gz WWIAINUBHQCTQN-DFNIBXOVSA-N 1 3 371.573 2.947 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000892260198 966488892 /nfs/dbraw/zinc/48/88/92/966488892.db2.gz IGCKYEGCZYZNSG-GTAWCEEGSA-N 1 3 356.514 2.700 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000892260198 966488898 /nfs/dbraw/zinc/48/88/98/966488898.db2.gz IGCKYEGCZYZNSG-GTAWCEEGSA-N 1 3 356.514 2.700 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1sc(C)nc1C)N(C)C ZINC001087213673 966616564 /nfs/dbraw/zinc/61/65/64/966616564.db2.gz GUDMUFOADHMLCE-COXVUDFISA-N 1 3 366.575 2.817 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCCN2Cc2cncs2)CC[N@@H+]1C ZINC001267167962 966826011 /nfs/dbraw/zinc/82/60/11/966826011.db2.gz LFYXTXOJLQAFNC-RYQLBKOJSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCCN2Cc2cncs2)CC[N@H+]1C ZINC001267167962 966826019 /nfs/dbraw/zinc/82/60/19/966826019.db2.gz LFYXTXOJLQAFNC-RYQLBKOJSA-N 1 3 364.559 2.734 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800202 967663068 /nfs/dbraw/zinc/66/30/68/967663068.db2.gz RTPNCVSFOPRTMV-IOMROCGXSA-N 1 3 371.500 2.509 20 0 FFADHO C[C@H](CCNC(=O)C1(N)Cc2ccccc2C1)[N@H+](C)Cc1ccccc1 ZINC000178857574 967665756 /nfs/dbraw/zinc/66/57/56/967665756.db2.gz WXEUQHBXCUSBLU-QGZVFWFLSA-N 1 3 351.494 2.510 20 0 FFADHO C[C@H](CCNC(=O)C1(N)Cc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000178857574 967665765 /nfs/dbraw/zinc/66/57/65/967665765.db2.gz WXEUQHBXCUSBLU-QGZVFWFLSA-N 1 3 351.494 2.510 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000665285834 968004020 /nfs/dbraw/zinc/00/40/20/968004020.db2.gz YDTHODKSSGECSL-BXXSPATCSA-N 1 3 370.585 2.703 20 0 FFADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211616098 968028758 /nfs/dbraw/zinc/02/87/58/968028758.db2.gz WOJKECYPIYRGBZ-LSTHTHJFSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001087640515 968476979 /nfs/dbraw/zinc/47/69/79/968476979.db2.gz HKTKMAGFXOZLQL-GBESFXJTSA-N 1 3 363.546 2.543 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC[C@@H]1CCCCO1 ZINC001087640515 968476985 /nfs/dbraw/zinc/47/69/85/968476985.db2.gz HKTKMAGFXOZLQL-GBESFXJTSA-N 1 3 363.546 2.543 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000658146517 968551448 /nfs/dbraw/zinc/55/14/48/968551448.db2.gz VPCLHSCVTGPGCR-OXJNMPFZSA-N 1 3 368.477 2.875 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000658146517 968551454 /nfs/dbraw/zinc/55/14/54/968551454.db2.gz VPCLHSCVTGPGCR-OXJNMPFZSA-N 1 3 368.477 2.875 20 0 FFADHO COc1ccc(CCNC(=[NH2+])NCCCN2CCc3ccccc3C2)cc1 ZINC000066243290 969301635 /nfs/dbraw/zinc/30/16/35/969301635.db2.gz LKLYWHCQYYPIDJ-UHFFFAOYSA-N 1 3 366.509 2.800 20 0 FFADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659037384 969655633 /nfs/dbraw/zinc/65/56/33/969655633.db2.gz IEOTWRLBWRXXJE-IBGZPJMESA-N 1 3 362.518 2.933 20 0 FFADHO C[NH+](C)CCN(C(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CCCC1 ZINC000659037629 969655824 /nfs/dbraw/zinc/65/58/24/969655824.db2.gz YBUBSTODUDRDIM-LJQANCHMSA-N 1 3 360.502 2.686 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659047510 969667613 /nfs/dbraw/zinc/66/76/13/969667613.db2.gz RUWLZXMBPQKKGB-IBGZPJMESA-N 1 3 360.502 2.687 20 0 FFADHO CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659387149 969891081 /nfs/dbraw/zinc/89/10/81/969891081.db2.gz MUPTVBGXEIPLQV-WOJBJXKFSA-N 1 3 355.457 2.830 20 0 FFADHO Cc1ncsc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104639775 970007625 /nfs/dbraw/zinc/00/76/25/970007625.db2.gz VVZUUCUPGMGFSS-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCN(C2CCCC2)CC1 ZINC000659586292 970057637 /nfs/dbraw/zinc/05/76/37/970057637.db2.gz VWBRWWSOPAUFNL-PMACEKPBSA-N 1 3 374.504 2.541 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]C/C=C/c1ccccc1 ZINC001104728885 970182211 /nfs/dbraw/zinc/18/22/11/970182211.db2.gz FZTPXNYWAGUAQW-HNTCUJBNSA-N 1 3 352.482 2.740 20 0 FFADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665366813 970397675 /nfs/dbraw/zinc/39/76/75/970397675.db2.gz IYZHBJUWEQFUHQ-KRWDZBQOSA-N 1 3 362.518 2.758 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCC3CC[NH+](C)CC3)cc2)CC1 ZINC000728734407 970755736 /nfs/dbraw/zinc/75/57/36/970755736.db2.gz AEBONBACTOWDMG-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001088121098 972917094 /nfs/dbraw/zinc/91/70/94/972917094.db2.gz OHAQFHOQWLWJLE-XHSDSOJGSA-N 1 3 366.456 2.558 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)CC[C@@H]2C1 ZINC001088121098 972917101 /nfs/dbraw/zinc/91/71/01/972917101.db2.gz OHAQFHOQWLWJLE-XHSDSOJGSA-N 1 3 366.456 2.558 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CC[C@@H]2C1 ZINC001088121511 972918481 /nfs/dbraw/zinc/91/84/81/972918481.db2.gz KPYRSRQHIPRFIQ-LVCYWYKZSA-N 1 3 364.493 2.810 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CC[C@@H]2C1 ZINC001088121511 972918496 /nfs/dbraw/zinc/91/84/96/972918496.db2.gz KPYRSRQHIPRFIQ-LVCYWYKZSA-N 1 3 364.493 2.810 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000660956630 973223950 /nfs/dbraw/zinc/22/39/50/973223950.db2.gz BRRYWKQAZREMAW-JBACZVJFSA-N 1 3 370.541 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000660956630 973223957 /nfs/dbraw/zinc/22/39/57/973223957.db2.gz BRRYWKQAZREMAW-JBACZVJFSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088212555 973696550 /nfs/dbraw/zinc/69/65/50/973696550.db2.gz XSOYKVHAGJNONF-LMMKCTJWSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088212555 973696557 /nfs/dbraw/zinc/69/65/57/973696557.db2.gz XSOYKVHAGJNONF-LMMKCTJWSA-N 1 3 361.505 2.890 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001112181995 973760882 /nfs/dbraw/zinc/76/08/82/973760882.db2.gz IHJVPDAAJXKKRV-HUUCEWRRSA-N 1 3 363.468 2.743 20 0 FFADHO CCc1nc2cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc2o1 ZINC000665639280 973787218 /nfs/dbraw/zinc/78/72/18/973787218.db2.gz SZNYBJMQQYLWMB-AWEZNQCLSA-N 1 3 361.490 2.784 20 0 FFADHO CCc1nc2cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc2o1 ZINC000665639280 973787225 /nfs/dbraw/zinc/78/72/25/973787225.db2.gz SZNYBJMQQYLWMB-AWEZNQCLSA-N 1 3 361.490 2.784 20 0 FFADHO O[C@H]1CCC[C@H]1N1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000662729696 973840875 /nfs/dbraw/zinc/84/08/75/973840875.db2.gz QAKVJGBPHRFXMJ-YADHBBJMSA-N 1 3 357.542 2.704 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000665762458 974096215 /nfs/dbraw/zinc/09/62/15/974096215.db2.gz FCANHBFEYONPSB-PXNSSMCTSA-N 1 3 364.509 2.539 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000665762458 974096219 /nfs/dbraw/zinc/09/62/19/974096219.db2.gz FCANHBFEYONPSB-PXNSSMCTSA-N 1 3 364.509 2.539 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000985441251 974098218 /nfs/dbraw/zinc/09/82/18/974098218.db2.gz XJIBPOVSTCMXTP-AZUAARDMSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3ccccc3F)CC2)CC[N@H+]1C ZINC000985441251 974098227 /nfs/dbraw/zinc/09/82/27/974098227.db2.gz XJIBPOVSTCMXTP-AZUAARDMSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2CC1(c1ccccc1)C2 ZINC000665764912 974102630 /nfs/dbraw/zinc/10/26/30/974102630.db2.gz UAZDBHKYAUNCNV-XPQZIERPSA-N 1 3 358.530 2.589 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2CC1(c1ccccc1)C2 ZINC000665764912 974102635 /nfs/dbraw/zinc/10/26/35/974102635.db2.gz UAZDBHKYAUNCNV-XPQZIERPSA-N 1 3 358.530 2.589 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000661507323 974411828 /nfs/dbraw/zinc/41/18/28/974411828.db2.gz KTZKKZBINOQJLW-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000661507323 974411831 /nfs/dbraw/zinc/41/18/31/974411831.db2.gz KTZKKZBINOQJLW-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)[C@@H]1CCC[NH3+] ZINC000662893752 974522482 /nfs/dbraw/zinc/52/24/82/974522482.db2.gz QITCBLCOLIELNU-MISYRCLQSA-N 1 3 358.530 2.660 20 0 FFADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652346102 974941350 /nfs/dbraw/zinc/94/13/50/974941350.db2.gz UAKWCQDCIQSQDE-NSHGMRRFSA-N 1 3 359.514 2.646 20 0 FFADHO C#CCN1CCC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000066921959 975033353 /nfs/dbraw/zinc/03/33/53/975033353.db2.gz NDEYYKOAZJCSOG-JOCHJYFZSA-N 1 3 367.537 2.921 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCCCF)C1 ZINC001211680005 975072424 /nfs/dbraw/zinc/07/24/24/975072424.db2.gz CFKQUCKTYMKVNH-RBUKOAKNSA-N 1 3 358.461 2.676 20 0 FFADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293450 975408024 /nfs/dbraw/zinc/40/80/24/975408024.db2.gz SFEYIRYOOBAQAZ-FXAWDEMLSA-N 1 3 355.526 2.671 20 0 FFADHO COC(=O)c1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1C ZINC000893563355 975409426 /nfs/dbraw/zinc/40/94/26/975409426.db2.gz CAFRSFMOSSTPRZ-UHFFFAOYSA-N 1 3 373.541 2.631 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3cccc4c3C[NH2+]C4)c(C)c2)CC1 ZINC000662361052 975448657 /nfs/dbraw/zinc/44/86/57/975448657.db2.gz JLQIRBPYSBMPHW-UHFFFAOYSA-N 1 3 364.493 2.992 20 0 FFADHO CCN1CCN(CCNc2cc(C)[nH+]c3ccc(OC(F)F)cc23)CC1 ZINC000663385419 975730323 /nfs/dbraw/zinc/73/03/23/975730323.db2.gz CYNDDIOOPYWUIZ-UHFFFAOYSA-N 1 3 364.440 2.616 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001027892931 975735569 /nfs/dbraw/zinc/73/55/69/975735569.db2.gz HUWHEFFPNBAIGB-SLFFLAALSA-N 1 3 361.505 2.967 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(CF)cc2)CC[N@H+]1C ZINC001027892931 975735580 /nfs/dbraw/zinc/73/55/80/975735580.db2.gz HUWHEFFPNBAIGB-SLFFLAALSA-N 1 3 361.505 2.967 20 0 FFADHO COc1cc2c(cc1CN1CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC1)O[C@H](C)C2 ZINC000667053172 975774446 /nfs/dbraw/zinc/77/44/46/975774446.db2.gz FWLKXMBDFMFKOW-WNYOCNMUSA-N 1 3 360.498 2.737 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000667150681 975893346 /nfs/dbraw/zinc/89/33/46/975893346.db2.gz SDFMMVRNOJGOMB-FUHWJXTLSA-N 1 3 362.518 2.584 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000667150681 975893359 /nfs/dbraw/zinc/89/33/59/975893359.db2.gz SDFMMVRNOJGOMB-FUHWJXTLSA-N 1 3 362.518 2.584 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CCCc3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000981193742 976331020 /nfs/dbraw/zinc/33/10/20/976331020.db2.gz GGCCQGAMENLGSY-YLJYHZDGSA-N 1 3 361.505 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CCCc3cccc(F)c3)CC2)CC[N@H+]1C ZINC000981193742 976331030 /nfs/dbraw/zinc/33/10/30/976331030.db2.gz GGCCQGAMENLGSY-YLJYHZDGSA-N 1 3 361.505 2.633 20 0 FFADHO CCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000663644716 976612571 /nfs/dbraw/zinc/61/25/71/976612571.db2.gz ZSVOEQZZLQXQHG-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663644716 976612576 /nfs/dbraw/zinc/61/25/76/976612576.db2.gz ZSVOEQZZLQXQHG-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cccnc2C)CC3)CC[N@@H+]1C ZINC000990759536 976931682 /nfs/dbraw/zinc/93/16/82/976931682.db2.gz CPRKYJMSPIVATM-HIUFNZKISA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cccnc2C)CC3)CC[N@H+]1C ZINC000990759536 976931698 /nfs/dbraw/zinc/93/16/98/976931698.db2.gz CPRKYJMSPIVATM-HIUFNZKISA-N 1 3 370.541 2.734 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1ccc2c(c1)CCC2 ZINC001088817017 977012811 /nfs/dbraw/zinc/01/28/11/977012811.db2.gz YLRHUSGJSCRWGL-YVCBRDFCSA-N 1 3 369.553 2.985 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1ccc2c(c1)CCC2 ZINC001088817017 977012817 /nfs/dbraw/zinc/01/28/17/977012817.db2.gz YLRHUSGJSCRWGL-YVCBRDFCSA-N 1 3 369.553 2.985 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000667794019 977049552 /nfs/dbraw/zinc/04/95/52/977049552.db2.gz WDPDWUHTFOKJGQ-UHFFFAOYSA-N 1 3 371.529 2.847 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CC(C)(C)CO3)CC2)CC1 ZINC000899455742 977165077 /nfs/dbraw/zinc/16/50/77/977165077.db2.gz HQNSMYCFJNEYMQ-IBGZPJMESA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2OCC(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000894076261 977655803 /nfs/dbraw/zinc/65/58/03/977655803.db2.gz MANHQQUBXMMNFG-WMZOPIPTSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000894076261 977655807 /nfs/dbraw/zinc/65/58/07/977655807.db2.gz MANHQQUBXMMNFG-WMZOPIPTSA-N 1 3 367.484 2.788 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087459374 977976609 /nfs/dbraw/zinc/97/66/09/977976609.db2.gz AGODTZJEVYSWRC-RTBURBONSA-N 1 3 359.489 2.604 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000877012392 1014448550 /nfs/dbraw/zinc/44/85/50/1014448550.db2.gz SDYDMAFVYMGFHU-UZKOGDIHSA-N 1 3 356.558 2.580 20 0 FFADHO CC(C)(O)C[NH+]1CCC(NCCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000647909406 978468127 /nfs/dbraw/zinc/46/81/27/978468127.db2.gz JXSYUJWZZQWBTK-UHFFFAOYSA-N 1 3 361.461 2.848 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001076086153 979094545 /nfs/dbraw/zinc/09/45/45/979094545.db2.gz RGRCDYRSRZRYCO-HBMCJLEFSA-N 1 3 371.569 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001076086153 979094547 /nfs/dbraw/zinc/09/45/47/979094547.db2.gz RGRCDYRSRZRYCO-HBMCJLEFSA-N 1 3 371.569 2.974 20 0 FFADHO C[C@H]1CN(C[C@H](C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2)C[C@@]1(C)CO ZINC000639864611 979200207 /nfs/dbraw/zinc/20/02/07/979200207.db2.gz ZJMPUAVRLWHPQJ-MXZFZVOGSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1CN(C[C@H](C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2)C[C@@]1(C)CO ZINC000639864611 979200215 /nfs/dbraw/zinc/20/02/15/979200215.db2.gz ZJMPUAVRLWHPQJ-MXZFZVOGSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1C[N@@H+](C[C@H](CN2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2)C[C@@]1(C)CO ZINC000639864611 979200223 /nfs/dbraw/zinc/20/02/23/979200223.db2.gz ZJMPUAVRLWHPQJ-MXZFZVOGSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@H]1C[N@H+](C[C@H](CN2C[C@@H](C)[C@](C)(CO)C2)c2ccccc2)C[C@@]1(C)CO ZINC000639864611 979200232 /nfs/dbraw/zinc/20/02/32/979200232.db2.gz ZJMPUAVRLWHPQJ-MXZFZVOGSA-N 1 3 374.569 2.671 20 0 FFADHO COc1cccc([C@@H](C)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001076204028 979220468 /nfs/dbraw/zinc/22/04/68/979220468.db2.gz OJXBKFPXGGLUHF-LKUPVBHCSA-N 1 3 371.525 2.631 20 0 FFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244310 979278264 /nfs/dbraw/zinc/27/82/64/979278264.db2.gz OJDYETMHDFGCJU-QKLQHJQFSA-N 1 3 353.526 2.778 20 0 FFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244310 979278269 /nfs/dbraw/zinc/27/82/69/979278269.db2.gz OJDYETMHDFGCJU-QKLQHJQFSA-N 1 3 353.526 2.778 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]21)N1CCCCCC1 ZINC001076324425 979383049 /nfs/dbraw/zinc/38/30/49/979383049.db2.gz SEQRISREGKHTOH-RYQLBKOJSA-N 1 3 369.500 2.829 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21)N1CCCCCC1 ZINC001076324425 979383057 /nfs/dbraw/zinc/38/30/57/979383057.db2.gz SEQRISREGKHTOH-RYQLBKOJSA-N 1 3 369.500 2.829 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)C1 ZINC001076457836 979515162 /nfs/dbraw/zinc/51/51/62/979515162.db2.gz SUQRWGRJOUMLCH-CSICEZIGSA-N 1 3 353.510 2.574 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)C1 ZINC001076457836 979515164 /nfs/dbraw/zinc/51/51/64/979515164.db2.gz SUQRWGRJOUMLCH-CSICEZIGSA-N 1 3 353.510 2.574 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001076568918 979667488 /nfs/dbraw/zinc/66/74/88/979667488.db2.gz CJTOAPMPVKQWTE-FDFHNCONSA-N 1 3 369.553 2.870 20 0 FFADHO CC(C)Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001076568918 979667491 /nfs/dbraw/zinc/66/74/91/979667491.db2.gz CJTOAPMPVKQWTE-FDFHNCONSA-N 1 3 369.553 2.870 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc2c(c1)CCC2 ZINC001088835859 979852453 /nfs/dbraw/zinc/85/24/53/979852453.db2.gz RTQRZRKDXANPBP-IERDGZPVSA-N 1 3 355.526 2.596 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655731652 980054091 /nfs/dbraw/zinc/05/40/91/980054091.db2.gz ZJDQPJRTYZABEG-LJQANCHMSA-N 1 3 369.557 2.852 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)C)C1 ZINC001112211937 980219061 /nfs/dbraw/zinc/21/90/61/980219061.db2.gz DLOIQOLWPJNVQK-OAGGEKHMSA-N 1 3 363.468 2.886 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cc4c(cc[nH]c4=O)o3)CC2)CC1 ZINC000877596120 1014639009 /nfs/dbraw/zinc/63/90/09/1014639009.db2.gz NIUFNTKOBTUCRY-UHFFFAOYSA-N 1 3 358.486 2.525 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cc4c(cc[nH]c4=O)o3)CC2)CC1 ZINC000877596120 1014639016 /nfs/dbraw/zinc/63/90/16/1014639016.db2.gz NIUFNTKOBTUCRY-UHFFFAOYSA-N 1 3 358.486 2.525 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cc4c(cc[nH]c4=O)o3)CC2)CC1 ZINC000877596120 1014639019 /nfs/dbraw/zinc/63/90/19/1014639019.db2.gz NIUFNTKOBTUCRY-UHFFFAOYSA-N 1 3 358.486 2.525 20 0 FFADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000904320268 980242206 /nfs/dbraw/zinc/24/22/06/980242206.db2.gz FZGRAGCYTDQSFU-YLJYHZDGSA-N 1 3 374.554 2.623 20 0 FFADHO COc1cc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc2ccccc21 ZINC000904473531 980283730 /nfs/dbraw/zinc/28/37/30/980283730.db2.gz RFNDULJNMGYWGE-JKSUJKDBSA-N 1 3 355.482 2.696 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000904583653 980300677 /nfs/dbraw/zinc/30/06/77/980300677.db2.gz LOFIHTWYQRVDTQ-UHFFFAOYSA-N 1 3 362.518 2.891 20 0 FFADHO O[C@H](CCC1(O)CCC1)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000905206374 980401431 /nfs/dbraw/zinc/40/14/31/980401431.db2.gz CRJYNCSDONMQFP-GXRSIYKFSA-N 1 3 372.553 2.933 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905401491 980431981 /nfs/dbraw/zinc/43/19/81/980431981.db2.gz WUZYOKAWZQVXJV-NRSPTQNISA-N 1 3 360.542 2.648 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)CC1 ZINC000877747576 1014707057 /nfs/dbraw/zinc/70/70/57/1014707057.db2.gz RQGQMIJOTGDSEU-UHFFFAOYSA-N 1 3 373.932 2.942 20 0 FFADHO CC(C)(C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCCCC1 ZINC000906857891 981160437 /nfs/dbraw/zinc/16/04/37/981160437.db2.gz CTVZTZCOGQYTRU-UHFFFAOYSA-N 1 3 373.541 2.524 20 0 FFADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000650765086 1014771313 /nfs/dbraw/zinc/77/13/13/1014771313.db2.gz ZDKWPKVYPFQXKA-FGSXEWAUSA-N 1 3 365.477 2.608 20 0 FFADHO C[C@H]([NH2+]C[C@]1(c2cnn(C)c2)CCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000898054084 982607389 /nfs/dbraw/zinc/60/73/89/982607389.db2.gz PSZDAUBOCJVRBL-DWLFOUALSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](NC[C@]1(c2cnn(C)c2)CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898054084 982607392 /nfs/dbraw/zinc/60/73/92/982607392.db2.gz PSZDAUBOCJVRBL-DWLFOUALSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@H](NC[C@]1(c2cnn(C)c2)CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898054084 982607395 /nfs/dbraw/zinc/60/73/95/982607395.db2.gz PSZDAUBOCJVRBL-DWLFOUALSA-N 1 3 368.525 2.926 20 0 FFADHO C[NH+](C)C1CCC(N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 ZINC001168327859 982931701 /nfs/dbraw/zinc/93/17/01/982931701.db2.gz RLUPULWDGGEIJS-TUNPWDSISA-N 1 3 369.509 2.509 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc21 ZINC000912015486 983943332 /nfs/dbraw/zinc/94/33/32/983943332.db2.gz ZNMMSWYYTGEUTD-INIZCTEOSA-N 1 3 359.518 2.595 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3ccccc3F)C(C)(C)C2)CC[N@@H+]1C ZINC000995824095 984140804 /nfs/dbraw/zinc/14/08/04/984140804.db2.gz HIKJYYPKCUOYEG-UHOSZYNNSA-N 1 3 361.505 2.883 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3ccccc3F)C(C)(C)C2)CC[N@H+]1C ZINC000995824095 984140807 /nfs/dbraw/zinc/14/08/07/984140807.db2.gz HIKJYYPKCUOYEG-UHOSZYNNSA-N 1 3 361.505 2.883 20 0 FFADHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000878368076 1015009739 /nfs/dbraw/zinc/00/97/39/1015009739.db2.gz HFEIBHDVHFIHAU-MRXNPFEDSA-N 1 3 352.482 2.610 20 0 FFADHO COCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402287 984508748 /nfs/dbraw/zinc/50/87/48/984508748.db2.gz KJSZJNHPJOVABV-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO COCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402287 984508755 /nfs/dbraw/zinc/50/87/55/984508755.db2.gz KJSZJNHPJOVABV-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO CN(CCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Cc1ccccc1 ZINC000669406108 984535611 /nfs/dbraw/zinc/53/56/11/984535611.db2.gz LEVIWMOYXNKAGU-PMACEKPBSA-N 1 3 358.530 2.540 20 0 FFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(F)(F)F)CC3)CCC1 ZINC001107436764 984537859 /nfs/dbraw/zinc/53/78/59/984537859.db2.gz OMICVBYTRFIZAN-GDBMZVCRSA-N 1 3 361.452 2.784 20 0 FFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(F)(F)F)CC3)CCC1 ZINC001107436764 984537866 /nfs/dbraw/zinc/53/78/66/984537866.db2.gz OMICVBYTRFIZAN-GDBMZVCRSA-N 1 3 361.452 2.784 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669483572 984654350 /nfs/dbraw/zinc/65/43/50/984654350.db2.gz BSDAYSXCXRYXOW-SLFFLAALSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669483571 984654465 /nfs/dbraw/zinc/65/44/65/984654465.db2.gz BSDAYSXCXRYXOW-HSALFYBXSA-N 1 3 356.514 2.607 20 0 FFADHO CC1(C)CN(CC(C[N@@H+]2CC[C@H](O)C(C)(C)C2)C2CCCC2)CC[C@@H]1O ZINC000878482198 1015063300 /nfs/dbraw/zinc/06/33/00/1015063300.db2.gz MSWASRNUAKNVHP-PMACEKPBSA-N 1 3 366.590 2.978 20 0 FFADHO CC1(C)CN(CC(C[N@H+]2CC[C@H](O)C(C)(C)C2)C2CCCC2)CC[C@@H]1O ZINC000878482198 1015063313 /nfs/dbraw/zinc/06/33/13/1015063313.db2.gz MSWASRNUAKNVHP-PMACEKPBSA-N 1 3 366.590 2.978 20 0 FFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cc(C)no1)CC2 ZINC001107616241 984831738 /nfs/dbraw/zinc/83/17/38/984831738.db2.gz ZJPXEKFTPJAIQA-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1cc(C)no1)CC2 ZINC001107616241 984831760 /nfs/dbraw/zinc/83/17/60/984831760.db2.gz ZJPXEKFTPJAIQA-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](OCC)C1CC1)CC2 ZINC001107617309 984839416 /nfs/dbraw/zinc/83/94/16/984839416.db2.gz DNQAPAGQZAPWPZ-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](OCC)C1CC1)CC2 ZINC001107617309 984839434 /nfs/dbraw/zinc/83/94/34/984839434.db2.gz DNQAPAGQZAPWPZ-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)[NH+]1CCCCC1 ZINC001107646805 984938728 /nfs/dbraw/zinc/93/87/28/984938728.db2.gz WZFIEJZGPCKVEE-QWFCFKBJSA-N 1 3 353.526 2.827 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921530612 985195334 /nfs/dbraw/zinc/19/53/34/985195334.db2.gz UAOYXJXPMYGRRT-SFHVURJKSA-N 1 3 354.498 2.990 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088980487 985732686 /nfs/dbraw/zinc/73/26/86/985732686.db2.gz JNFHJTYFWPSZOT-SUMDDJOVSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088980487 985732692 /nfs/dbraw/zinc/73/26/92/985732692.db2.gz JNFHJTYFWPSZOT-SUMDDJOVSA-N 1 3 354.498 2.589 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403123 986140839 /nfs/dbraw/zinc/14/08/39/986140839.db2.gz CMMXKXADJKUGPG-UOETZDLVSA-N 1 3 365.562 2.811 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403123 986140842 /nfs/dbraw/zinc/14/08/42/986140842.db2.gz CMMXKXADJKUGPG-UOETZDLVSA-N 1 3 365.562 2.811 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC000999204084 986398502 /nfs/dbraw/zinc/39/85/02/986398502.db2.gz CXSRIIPBGJWNDP-CMKODMSKSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC000999204084 986398506 /nfs/dbraw/zinc/39/85/06/986398506.db2.gz CXSRIIPBGJWNDP-CMKODMSKSA-N 1 3 361.505 2.945 20 0 FFADHO C[C@H](CCN1CCC(n2ccnc2)CC1)[NH+]1CCC(n2ccnc2)CC1 ZINC000153467851 987639019 /nfs/dbraw/zinc/63/90/19/987639019.db2.gz RUFMNAUBKONJNL-GOSISDBHSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C1CC[NH+](C)CC1 ZINC000672884204 987647655 /nfs/dbraw/zinc/64/76/55/987647655.db2.gz OIRMCAJEGFRFET-ZWOKBUDYSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001106246514 987751891 /nfs/dbraw/zinc/75/18/91/987751891.db2.gz MOPLDYAPFIYLPW-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001106249195 987758674 /nfs/dbraw/zinc/75/86/74/987758674.db2.gz CDVDEKUGHDLOBJ-YHYVQYDKSA-N 1 3 371.569 2.816 20 0 FFADHO OC1(CNCc2cnn(CC3CCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000922185586 988062477 /nfs/dbraw/zinc/06/24/77/988062477.db2.gz NSWFUMAHMSITTJ-UHFFFAOYSA-N 1 3 368.525 2.800 20 0 FFADHO OC1(C[NH2+]Cc2cnn(CC3CCC3)c2)CCN(Cc2ccccc2)CC1 ZINC000922185586 988062502 /nfs/dbraw/zinc/06/25/02/988062502.db2.gz NSWFUMAHMSITTJ-UHFFFAOYSA-N 1 3 368.525 2.800 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922390790 988547602 /nfs/dbraw/zinc/54/76/02/988547602.db2.gz OWFZQFOFFYQIGY-NMIHRBCNSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922390790 988547613 /nfs/dbraw/zinc/54/76/13/988547613.db2.gz OWFZQFOFFYQIGY-NMIHRBCNSA-N 1 3 368.525 2.750 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3OC)C2)[C@H]1C(C)C ZINC000922394125 988554407 /nfs/dbraw/zinc/55/44/07/988554407.db2.gz VDQMBKKTDOYUNV-VURPSTOHSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3OC)C2)[C@H]1C(C)C ZINC000922394125 988554416 /nfs/dbraw/zinc/55/44/16/988554416.db2.gz VDQMBKKTDOYUNV-VURPSTOHSA-N 1 3 362.514 2.663 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1 ZINC001106665244 988608051 /nfs/dbraw/zinc/60/80/51/988608051.db2.gz NTBOMJCZHXRJNS-SVFBPWRDSA-N 1 3 357.542 2.706 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001106666255 988609332 /nfs/dbraw/zinc/60/93/32/988609332.db2.gz ICRKXGKQWAPWTE-IUGNKNQPSA-N 1 3 359.917 2.636 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ocnc2C)[C@H](C)C1 ZINC001106775531 989019546 /nfs/dbraw/zinc/01/95/46/989019546.db2.gz NFRKXARABBWNGM-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCc2ccc(C[NH3+])cc2F)N(C)C)cc1 ZINC000652119584 1015470229 /nfs/dbraw/zinc/47/02/29/1015470229.db2.gz MLIPUWWDGUBRNC-FQEVSTJZSA-N 1 3 372.488 2.949 20 0 FFADHO C(=C\C[NH+]1CCC(c2c[nH]cn2)CC1)\CN1CCC(c2c[nH]cn2)CC1 ZINC000674371926 989681326 /nfs/dbraw/zinc/68/13/26/989681326.db2.gz FIXNPPTYGGRKCX-UPHRSURJSA-N 1 3 354.502 2.748 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000675102087 990043116 /nfs/dbraw/zinc/04/31/16/990043116.db2.gz MSBZDTBACPYYST-UIFIKXQLSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000675102087 990043122 /nfs/dbraw/zinc/04/31/22/990043122.db2.gz MSBZDTBACPYYST-UIFIKXQLSA-N 1 3 370.541 2.996 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000675182913 990105297 /nfs/dbraw/zinc/10/52/97/990105297.db2.gz YXKGMZWMAIHHNC-SXLOBPIMSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000918119793 990338720 /nfs/dbraw/zinc/33/87/20/990338720.db2.gz DALXHMCKGWJESU-KRWDZBQOSA-N 1 3 362.518 2.760 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000675742359 990367429 /nfs/dbraw/zinc/36/74/29/990367429.db2.gz NKEPYHZRJRBREU-TZIWHRDSSA-N 1 3 358.574 2.513 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cccc4cccnc43)C2)CC[N@@H+]1C ZINC001031684122 990974914 /nfs/dbraw/zinc/97/49/14/990974914.db2.gz HSXYAXSIJRRTLL-VQTJNVASSA-N 1 3 366.509 2.513 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cccc4cccnc43)C2)CC[N@H+]1C ZINC001031684122 990974924 /nfs/dbraw/zinc/97/49/24/990974924.db2.gz HSXYAXSIJRRTLL-VQTJNVASSA-N 1 3 366.509 2.513 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000135029806 991137261 /nfs/dbraw/zinc/13/72/61/991137261.db2.gz LMTIYQSDNZWNAS-RTBURBONSA-N 1 3 373.541 2.861 20 0 FFADHO O=c1[nH]c(CCN2CCC([C@@H]3CCC[NH2+]CC3)CC2)nc2ccccc21 ZINC000923503719 991204787 /nfs/dbraw/zinc/20/47/87/991204787.db2.gz NLEQTZFTKQOAPS-MRXNPFEDSA-N 1 3 354.498 2.980 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2sccc2Cl)[C@H](C)C1 ZINC001106909080 991470941 /nfs/dbraw/zinc/47/09/41/991470941.db2.gz DHIFHCUMDCCPOS-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO O[C@@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000382172657 991875714 /nfs/dbraw/zinc/87/57/14/991875714.db2.gz QQOXRJKSHGBTIR-RTWAWAEBSA-N 1 3 354.494 2.928 20 0 FFADHO O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000382172657 991875720 /nfs/dbraw/zinc/87/57/20/991875720.db2.gz QQOXRJKSHGBTIR-RTWAWAEBSA-N 1 3 354.494 2.928 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079201919 991877134 /nfs/dbraw/zinc/87/71/34/991877134.db2.gz JLXXHDDSTRVXFO-ZCNNSNEGSA-N 1 3 361.505 2.993 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1c1ccccc1F ZINC001079295710 991983188 /nfs/dbraw/zinc/98/31/88/991983188.db2.gz PTBKGJYOUHUJIQ-PKOBYXMFSA-N 1 3 361.505 2.994 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000382732417 991992717 /nfs/dbraw/zinc/99/27/17/991992717.db2.gz CTGJINGDJKBHCI-SIKLNZKXSA-N 1 3 363.505 2.854 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000382732417 991992723 /nfs/dbraw/zinc/99/27/23/991992723.db2.gz CTGJINGDJKBHCI-SIKLNZKXSA-N 1 3 363.505 2.854 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001079310681 992010493 /nfs/dbraw/zinc/01/04/93/992010493.db2.gz CYFNEQPKQXYGED-SXLOBPIMSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC001127701697 992283039 /nfs/dbraw/zinc/28/30/39/992283039.db2.gz WEQNFUFZHWENMX-GOEBONIOSA-N 1 3 357.420 2.642 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC001127701697 992283047 /nfs/dbraw/zinc/28/30/47/992283047.db2.gz WEQNFUFZHWENMX-GOEBONIOSA-N 1 3 357.420 2.642 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726135 992363368 /nfs/dbraw/zinc/36/33/68/992363368.db2.gz DLJFNDWERIVARB-OHDICMOHSA-N 1 3 355.482 2.710 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726135 992363375 /nfs/dbraw/zinc/36/33/75/992363375.db2.gz DLJFNDWERIVARB-OHDICMOHSA-N 1 3 355.482 2.710 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000414727084 992708606 /nfs/dbraw/zinc/70/86/06/992708606.db2.gz ADVLHLXKEOMNIX-IAGOWNOFSA-N 1 3 359.518 2.528 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC001206058884 1032125153 /nfs/dbraw/zinc/12/51/53/1032125153.db2.gz VKNIWJYMWZBPDH-DENIHFKCSA-N 1 3 364.537 2.788 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC001107042413 993296210 /nfs/dbraw/zinc/29/62/10/993296210.db2.gz LSUPLPBJGLKFNE-HZPDHXFCSA-N 1 3 367.484 2.532 20 0 FFADHO CCN1C[C@H](C)N(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000808664352 994207779 /nfs/dbraw/zinc/20/77/79/994207779.db2.gz WFMIYKXMQPGIJH-KQSNUMSTSA-N 1 3 359.514 2.581 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131583223 994428885 /nfs/dbraw/zinc/42/88/85/994428885.db2.gz WTBCBMHEPYFABY-QUCCMNQESA-N 1 3 353.551 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC001082522212 994816738 /nfs/dbraw/zinc/81/67/38/994816738.db2.gz ZXIFJJOVKKWPJH-ALQDCCJHSA-N 1 3 365.468 2.632 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC001082522212 994816751 /nfs/dbraw/zinc/81/67/51/994816751.db2.gz ZXIFJJOVKKWPJH-ALQDCCJHSA-N 1 3 365.468 2.632 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559561 994933421 /nfs/dbraw/zinc/93/34/21/994933421.db2.gz JIGOAFGZRGKRSG-MAODMQOUSA-N 1 3 357.542 2.568 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC001082561727 994943222 /nfs/dbraw/zinc/94/32/22/994943222.db2.gz NEHHSKGMXPJFIK-IUODEOHRSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCc1ccccc1F ZINC001082588825 995000200 /nfs/dbraw/zinc/00/02/00/995000200.db2.gz QXARHAGLGCBXPT-VQIMIIECSA-N 1 3 359.489 2.638 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1ccc(F)cc1F ZINC001082617299 995082821 /nfs/dbraw/zinc/08/28/21/995082821.db2.gz JGBWRKQKNWBFFV-RDTXWAMCSA-N 1 3 363.452 2.530 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NCc1ccc(F)cc1Cl ZINC001082741402 995395705 /nfs/dbraw/zinc/39/57/05/995395705.db2.gz ZZCNAXNWHFXQQR-QWQRMKEZSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NCc1ccc(F)cc1Cl ZINC001082741402 995395711 /nfs/dbraw/zinc/39/57/11/995395711.db2.gz ZZCNAXNWHFXQQR-QWQRMKEZSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC001082743927 995403345 /nfs/dbraw/zinc/40/33/45/995403345.db2.gz JYKDFMHYTFHWCT-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001082808081 995553385 /nfs/dbraw/zinc/55/33/85/995553385.db2.gz UDQFLAIIYJJIMP-JLTOFOAXSA-N 1 3 370.497 2.603 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cc2ccccc2o1 ZINC001082861460 995665632 /nfs/dbraw/zinc/66/56/32/995665632.db2.gz BTUNESWFZSGARP-GPMSIDNRSA-N 1 3 355.482 2.711 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cc2ccccc2o1 ZINC001082861460 995665635 /nfs/dbraw/zinc/66/56/35/995665635.db2.gz BTUNESWFZSGARP-GPMSIDNRSA-N 1 3 355.482 2.711 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1cc(F)ccc1F ZINC001082863721 995671566 /nfs/dbraw/zinc/67/15/66/995671566.db2.gz VLGHHDBHRCENHL-HBUWYVDXSA-N 1 3 363.452 2.558 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)[C@H]2C1 ZINC000679337066 1016007509 /nfs/dbraw/zinc/00/75/09/1016007509.db2.gz JWXIHYMQDZQGNA-APWZRJJASA-N 1 3 360.502 2.575 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)C1 ZINC001084599195 996704555 /nfs/dbraw/zinc/70/45/55/996704555.db2.gz SZGNBSJBPUAEMN-FGTMMUONSA-N 1 3 369.500 2.686 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)C1 ZINC001084599195 996704559 /nfs/dbraw/zinc/70/45/59/996704559.db2.gz SZGNBSJBPUAEMN-FGTMMUONSA-N 1 3 369.500 2.686 20 0 FFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663690 996797105 /nfs/dbraw/zinc/79/71/05/996797105.db2.gz NYYQQRSQWCBSBW-NHCUHLMSSA-N 1 3 355.526 2.903 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137024408 997335324 /nfs/dbraw/zinc/33/53/24/997335324.db2.gz XSAOFPPVLQTCSC-FGZHOGPDSA-N 1 3 356.510 2.897 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137024408 997335333 /nfs/dbraw/zinc/33/53/33/997335333.db2.gz XSAOFPPVLQTCSC-FGZHOGPDSA-N 1 3 356.510 2.897 20 0 FFADHO CCCN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000843989471 997566769 /nfs/dbraw/zinc/56/67/69/997566769.db2.gz OKYLKKICHQMFIS-SCEWNMGZSA-N 1 3 359.514 2.583 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000844225201 997715813 /nfs/dbraw/zinc/71/58/13/997715813.db2.gz LERZRONVTWYHFL-OALUTQOASA-N 1 3 370.541 2.937 20 0 FFADHO COC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000903751739 1016175212 /nfs/dbraw/zinc/17/52/12/1016175212.db2.gz MRCVDMLXIMMVOT-HNAYVOBHSA-N 1 3 353.466 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)CC[N@@H+]1C ZINC001084943958 998241616 /nfs/dbraw/zinc/24/16/16/998241616.db2.gz KAHVUJFTMJLSJN-QOJCHSLYSA-N 1 3 359.489 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)CC[N@H+]1C ZINC001084943958 998241622 /nfs/dbraw/zinc/24/16/22/998241622.db2.gz KAHVUJFTMJLSJN-QOJCHSLYSA-N 1 3 359.489 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)CC[N@@H+]1C ZINC001084944193 998241985 /nfs/dbraw/zinc/24/19/85/998241985.db2.gz ZHGOXSLGCPKLOI-QOJCHSLYSA-N 1 3 359.489 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(Cc4cccc(F)c4)[C@H]3C2)CC[N@H+]1C ZINC001084944193 998241993 /nfs/dbraw/zinc/24/19/93/998241993.db2.gz ZHGOXSLGCPKLOI-QOJCHSLYSA-N 1 3 359.489 2.589 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CCN(Cc3cccnc3)[C@H]2C1 ZINC001084957966 998355338 /nfs/dbraw/zinc/35/53/38/998355338.db2.gz GXMNGDUPYDUUKS-HKBOAZHASA-N 1 3 370.541 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CCN(Cc3cccnc3)[C@H]2C1 ZINC001084957966 998355347 /nfs/dbraw/zinc/35/53/47/998355347.db2.gz GXMNGDUPYDUUKS-HKBOAZHASA-N 1 3 370.541 2.767 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962441 998371505 /nfs/dbraw/zinc/37/15/05/998371505.db2.gz OWOXNOSNKXQOGI-GIVPXCGWSA-N 1 3 370.541 2.687 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962441 998371515 /nfs/dbraw/zinc/37/15/15/998371515.db2.gz OWOXNOSNKXQOGI-GIVPXCGWSA-N 1 3 370.541 2.687 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085049806 998783193 /nfs/dbraw/zinc/78/31/93/998783193.db2.gz AGCABKUZILXVKR-CTNGQTDRSA-N 1 3 370.541 2.545 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)C1 ZINC001085075024 998863288 /nfs/dbraw/zinc/86/32/88/998863288.db2.gz MQBCVLUQMPKSNH-NSHGMRRFSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)C1 ZINC001085075024 998863294 /nfs/dbraw/zinc/86/32/94/998863294.db2.gz MQBCVLUQMPKSNH-NSHGMRRFSA-N 1 3 359.489 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(C)s2)CC[N@@H+]1C ZINC001085203630 999157192 /nfs/dbraw/zinc/15/71/92/999157192.db2.gz TWULYNOPXJXRAM-BSDSXHPESA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(C)s2)CC[N@H+]1C ZINC001085203630 999157195 /nfs/dbraw/zinc/15/71/95/999157195.db2.gz TWULYNOPXJXRAM-BSDSXHPESA-N 1 3 364.559 2.699 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC001085217418 999184698 /nfs/dbraw/zinc/18/46/98/999184698.db2.gz AGBQZVNCQZKIRF-KZNAEPCWSA-N 1 3 362.518 2.683 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC001085217418 999184700 /nfs/dbraw/zinc/18/47/00/999184700.db2.gz AGBQZVNCQZKIRF-KZNAEPCWSA-N 1 3 362.518 2.683 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085255271 999269436 /nfs/dbraw/zinc/26/94/36/999269436.db2.gz VYYSYMFNZOTSEN-AQNXPRMDSA-N 1 3 358.530 2.719 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085255271 999269441 /nfs/dbraw/zinc/26/94/41/999269441.db2.gz VYYSYMFNZOTSEN-AQNXPRMDSA-N 1 3 358.530 2.719 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)C2CC[NH+](C)CC2)c1 ZINC001085319817 999356877 /nfs/dbraw/zinc/35/68/77/999356877.db2.gz PULLJZKOLQFMJA-WOJBJXKFSA-N 1 3 361.505 2.993 20 0 FFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001085332962 999380072 /nfs/dbraw/zinc/38/00/72/999380072.db2.gz UBRDTLUYBVEYND-NSISKUIASA-N 1 3 361.505 2.993 20 0 FFADHO COc1cccc([C@@]2(C)CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903933256 1016312680 /nfs/dbraw/zinc/31/26/80/1016312680.db2.gz NFDMGAVEQPEEEN-UTKZUKDTSA-N 1 3 356.514 2.518 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCOC1 ZINC001096608750 1016349342 /nfs/dbraw/zinc/34/93/42/1016349342.db2.gz CIPBDAFSRXKIBN-LMQGHGSNSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCOC1 ZINC001096608750 1016349354 /nfs/dbraw/zinc/34/93/54/1016349354.db2.gz CIPBDAFSRXKIBN-LMQGHGSNSA-N 1 3 371.525 2.510 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NC1CCN(C)CC1 ZINC000743060922 999797889 /nfs/dbraw/zinc/79/78/89/999797889.db2.gz KLPWYUMYJKJHKK-LJQANCHMSA-N 1 3 374.598 2.799 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NC1CCN(C)CC1 ZINC000743060922 999797890 /nfs/dbraw/zinc/79/78/90/999797890.db2.gz KLPWYUMYJKJHKK-LJQANCHMSA-N 1 3 374.598 2.799 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C2 ZINC001169116985 1000022569 /nfs/dbraw/zinc/02/25/69/1000022569.db2.gz VLFMASOTXMUQOR-NXOAAHMSSA-N 1 3 367.534 2.616 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C2 ZINC001169116985 1000022570 /nfs/dbraw/zinc/02/25/70/1000022570.db2.gz VLFMASOTXMUQOR-NXOAAHMSSA-N 1 3 367.534 2.616 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CCCN3C(=O)c3ccco3)CC1)C2 ZINC001169131141 1000023655 /nfs/dbraw/zinc/02/36/55/1000023655.db2.gz QCCDVQXXJKUQBG-BCDXTJNWSA-N 1 3 357.498 2.975 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CCCN3C(=O)c3ccco3)CC1)C2 ZINC001169131141 1000023656 /nfs/dbraw/zinc/02/36/56/1000023656.db2.gz QCCDVQXXJKUQBG-BCDXTJNWSA-N 1 3 357.498 2.975 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)C2 ZINC001169138960 1000025147 /nfs/dbraw/zinc/02/51/47/1000025147.db2.gz KQARICWMMPZEKS-KWLWEVDOSA-N 1 3 359.489 2.588 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)C2 ZINC001169138960 1000025150 /nfs/dbraw/zinc/02/51/50/1000025150.db2.gz KQARICWMMPZEKS-KWLWEVDOSA-N 1 3 359.489 2.588 20 0 FFADHO COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)ccc1OC1CCOCC1 ZINC001169109371 1000025728 /nfs/dbraw/zinc/02/57/28/1000025728.db2.gz BJUACDWKJFFNQQ-BCDXTJNWSA-N 1 3 360.498 2.968 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2ccccc2OC)CC1 ZINC001169452234 1000048879 /nfs/dbraw/zinc/04/88/79/1000048879.db2.gz LUVLBYDPPLVMHX-KRWDZBQOSA-N 1 3 361.530 2.678 20 0 FFADHO NCc1ccc2c(n1)N(c1ccc([C@@]34CC[NH2+][C@H]3COCC4)cc1)CCC2 ZINC001169591880 1000060065 /nfs/dbraw/zinc/06/00/65/1000060065.db2.gz BBZYGFPPDWPCCA-UNMCSNQZSA-N 1 3 364.493 2.645 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(OC)cc1 ZINC001109462293 1000507892 /nfs/dbraw/zinc/50/78/92/1000507892.db2.gz IYDGQJYXUGZNDP-HOJAQTOUSA-N 1 3 373.541 2.690 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(OC)cc1 ZINC001109462293 1000507899 /nfs/dbraw/zinc/50/78/99/1000507899.db2.gz IYDGQJYXUGZNDP-HOJAQTOUSA-N 1 3 373.541 2.690 20 0 FFADHO C[C@H](F)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672118 1001022946 /nfs/dbraw/zinc/02/29/46/1001022946.db2.gz HRWNRCRQBZNGFY-QKLQHJQFSA-N 1 3 353.526 2.779 20 0 FFADHO C[C@H](F)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672118 1001022954 /nfs/dbraw/zinc/02/29/54/1001022954.db2.gz HRWNRCRQBZNGFY-QKLQHJQFSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC001148130501 1001048035 /nfs/dbraw/zinc/04/80/35/1001048035.db2.gz NOYQKVQGOLYXOV-VQTJNVASSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCN1 ZINC001148130501 1001048042 /nfs/dbraw/zinc/04/80/42/1001048042.db2.gz NOYQKVQGOLYXOV-VQTJNVASSA-N 1 3 355.526 2.745 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)CCC2 ZINC001109928486 1001162962 /nfs/dbraw/zinc/16/29/62/1001162962.db2.gz XYRISTSIYQATES-HKBOAZHASA-N 1 3 355.526 2.739 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2c(c1)CCC2 ZINC001109928486 1001162968 /nfs/dbraw/zinc/16/29/68/1001162968.db2.gz XYRISTSIYQATES-HKBOAZHASA-N 1 3 355.526 2.739 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@]3(C)C2)CCC1 ZINC001091735066 1001171609 /nfs/dbraw/zinc/17/16/09/1001171609.db2.gz HSUVYZMUNHWKKQ-XLIONFOSSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@]3(C)C2)CCC1 ZINC001091735066 1001171615 /nfs/dbraw/zinc/17/16/15/1001171615.db2.gz HSUVYZMUNHWKKQ-XLIONFOSSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCc4cccs4)C[C@@]3(C)C2)CCC1 ZINC001091735521 1001172415 /nfs/dbraw/zinc/17/24/15/1001172415.db2.gz SXLBSNPCBIYTCV-APWZRJJASA-N 1 3 361.555 2.555 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCc4cccs4)C[C@@]3(C)C2)CCC1 ZINC001091735521 1001172419 /nfs/dbraw/zinc/17/24/19/1001172419.db2.gz SXLBSNPCBIYTCV-APWZRJJASA-N 1 3 361.555 2.555 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C[C@@H]2C)CCN(Cc2cccnc2)CC3)CC[N@@H+]1C ZINC001086924129 1001333424 /nfs/dbraw/zinc/33/34/24/1001333424.db2.gz KSWHWBCNZLTAOT-NLWGTHIKSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C[C@@H]2C)CCN(Cc2cccnc2)CC3)CC[N@H+]1C ZINC001086924129 1001333427 /nfs/dbraw/zinc/33/34/27/1001333427.db2.gz KSWHWBCNZLTAOT-NLWGTHIKSA-N 1 3 370.541 2.625 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc[nH]c(=O)c3)cc2)CC1 ZINC000788538523 1001817082 /nfs/dbraw/zinc/81/70/82/1001817082.db2.gz GKCZAEGZGPRDTP-KRWDZBQOSA-N 1 3 354.498 2.776 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1)N(C)C ZINC001183366157 1002258188 /nfs/dbraw/zinc/25/81/88/1002258188.db2.gz OGOGIUKPTUWVSF-QGZVFWFLSA-N 1 3 351.922 2.789 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC001183373031 1002262013 /nfs/dbraw/zinc/26/20/13/1002262013.db2.gz RSCCXIRBGJDWJT-AQNXPRMDSA-N 1 3 373.541 2.848 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](C/C=C\c4ccccc4)C[C@@]3(C)C2)C1 ZINC001092010690 1002278954 /nfs/dbraw/zinc/27/89/54/1002278954.db2.gz JOBBHXVIKJJGRR-KHDFMIRBSA-N 1 3 367.537 2.822 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](C/C=C\c4ccccc4)C[C@@]3(C)C2)C1 ZINC001092010690 1002278966 /nfs/dbraw/zinc/27/89/66/1002278966.db2.gz JOBBHXVIKJJGRR-KHDFMIRBSA-N 1 3 367.537 2.822 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013411 1002286191 /nfs/dbraw/zinc/28/61/91/1002286191.db2.gz QBEFVVCERJHTGC-DWLFOUALSA-N 1 3 359.558 2.999 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013411 1002286196 /nfs/dbraw/zinc/28/61/96/1002286196.db2.gz QBEFVVCERJHTGC-DWLFOUALSA-N 1 3 359.558 2.999 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013430 1002287543 /nfs/dbraw/zinc/28/75/43/1002287543.db2.gz QBEFVVCERJHTGC-UZKOGDIHSA-N 1 3 359.558 2.999 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013430 1002287548 /nfs/dbraw/zinc/28/75/48/1002287548.db2.gz QBEFVVCERJHTGC-UZKOGDIHSA-N 1 3 359.558 2.999 20 0 FFADHO CC1(C)CC(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@]3(C)C2)C1 ZINC001092014981 1002290889 /nfs/dbraw/zinc/29/08/89/1002290889.db2.gz HWEMHLUTQGJROC-GCJKJVERSA-N 1 3 361.574 2.935 20 0 FFADHO CC1(C)CC(C[N@H+]2C[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@]3(C)C2)C1 ZINC001092014981 1002290896 /nfs/dbraw/zinc/29/08/96/1002290896.db2.gz HWEMHLUTQGJROC-GCJKJVERSA-N 1 3 361.574 2.935 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001092071154 1002369568 /nfs/dbraw/zinc/36/95/68/1002369568.db2.gz IRDRQIWIIPPTDO-UZKOGDIHSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1 ZINC001092071154 1002369575 /nfs/dbraw/zinc/36/95/75/1002369575.db2.gz IRDRQIWIIPPTDO-UZKOGDIHSA-N 1 3 370.541 2.625 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3C[N@H+](CC4CCC4)C[C@@]3(C)C2)c1 ZINC001092297294 1002620286 /nfs/dbraw/zinc/62/02/86/1002620286.db2.gz SSRFWOUDTZKXPC-IRLDBZIGSA-N 1 3 355.526 2.942 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3C[N@@H+](CC4CCC4)C[C@@]3(C)C2)c1 ZINC001092297294 1002620292 /nfs/dbraw/zinc/62/02/92/1002620292.db2.gz SSRFWOUDTZKXPC-IRLDBZIGSA-N 1 3 355.526 2.942 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2ccc(C(F)F)cc2)C1=O ZINC001276262231 1016648980 /nfs/dbraw/zinc/64/89/80/1016648980.db2.gz BUOJXJMTYAUIKE-IBGZPJMESA-N 1 3 351.441 2.753 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H](C)C2)s1 ZINC001092602531 1003208934 /nfs/dbraw/zinc/20/89/34/1003208934.db2.gz BECZPVJADSYWQP-QGPMSJSTSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H](C)C2)s1 ZINC001092602531 1003208944 /nfs/dbraw/zinc/20/89/44/1003208944.db2.gz BECZPVJADSYWQP-QGPMSJSTSA-N 1 3 364.559 2.508 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001186189021 1003211890 /nfs/dbraw/zinc/21/18/90/1003211890.db2.gz JBSDIMOPTFOMLF-RLLQIKCJSA-N 1 3 363.521 2.954 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001186189021 1003211900 /nfs/dbraw/zinc/21/19/00/1003211900.db2.gz JBSDIMOPTFOMLF-RLLQIKCJSA-N 1 3 363.521 2.954 20 0 FFADHO CC(C)[C@@H]1CN(C[C@@H](C)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001196134476 1003674316 /nfs/dbraw/zinc/67/43/16/1003674316.db2.gz SDIXDPXACHARPI-UNMCSNQZSA-N 1 3 359.558 2.797 20 0 FFADHO CC(C)[C@@H]1CN(C[C@@H](C)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001196134476 1003674322 /nfs/dbraw/zinc/67/43/22/1003674322.db2.gz SDIXDPXACHARPI-UNMCSNQZSA-N 1 3 359.558 2.797 20 0 FFADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723940 1004338140 /nfs/dbraw/zinc/33/81/40/1004338140.db2.gz LWKFADXVDYULIP-PXNYIJGASA-N 1 3 367.578 2.796 20 0 FFADHO Cn1nnc2ccc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cc21 ZINC001170528317 1004631325 /nfs/dbraw/zinc/63/13/25/1004631325.db2.gz LGDLEGSKXXJRSP-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO Cn1ccc2nc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cnc21 ZINC001170528715 1004636473 /nfs/dbraw/zinc/63/64/73/1004636473.db2.gz UVWQVYKUKLSMOU-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103125580 1004781553 /nfs/dbraw/zinc/78/15/53/1004781553.db2.gz RWIDMXCFCVEZKP-FQEVSTJZSA-N 1 3 361.530 2.898 20 0 FFADHO CC(=O)Nc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC001201626553 1005245471 /nfs/dbraw/zinc/24/54/71/1005245471.db2.gz NSMNUAVEFMTMDG-QFIPXVFZSA-N 1 3 367.493 2.892 20 0 FFADHO CC(=O)Nc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC001201626553 1005245472 /nfs/dbraw/zinc/24/54/72/1005245472.db2.gz NSMNUAVEFMTMDG-QFIPXVFZSA-N 1 3 367.493 2.892 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)C1)N(C)C ZINC001488916829 1005377199 /nfs/dbraw/zinc/37/71/99/1005377199.db2.gz HPWCIRKOELYXEC-DAYGRLMNSA-N 1 3 366.937 2.696 20 0 FFADHO COc1cncc(CN[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000850117928 1005787601 /nfs/dbraw/zinc/78/76/01/1005787601.db2.gz BOLCOFFUTNGGMX-HNNXBMFYSA-N 1 3 358.461 2.832 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc(Cl)n1 ZINC000851643543 1005902478 /nfs/dbraw/zinc/90/24/78/1005902478.db2.gz YMICSBPYDIUBMY-KZNAEPCWSA-N 1 3 372.900 2.695 20 0 FFADHO Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc(Cl)n1 ZINC000851645900 1005902640 /nfs/dbraw/zinc/90/26/40/1005902640.db2.gz OVFXEXORAPMBTE-IAGOWNOFSA-N 1 3 374.872 2.733 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000851665372 1005904386 /nfs/dbraw/zinc/90/43/86/1005904386.db2.gz ATEIYKQPIFXJBN-FXAWDEMLSA-N 1 3 356.514 2.580 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000851665372 1005904389 /nfs/dbraw/zinc/90/43/89/1005904389.db2.gz ATEIYKQPIFXJBN-FXAWDEMLSA-N 1 3 356.514 2.580 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000851665377 1005904398 /nfs/dbraw/zinc/90/43/98/1005904398.db2.gz ATEIYKQPIFXJBN-YLJYHZDGSA-N 1 3 356.514 2.580 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000851665377 1005904402 /nfs/dbraw/zinc/90/44/02/1005904402.db2.gz ATEIYKQPIFXJBN-YLJYHZDGSA-N 1 3 356.514 2.580 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001097101449 1017040371 /nfs/dbraw/zinc/04/03/71/1017040371.db2.gz PMVNVBVTXQSRPB-BUQAOYBGSA-N 1 3 366.509 2.730 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001097101449 1017040382 /nfs/dbraw/zinc/04/03/82/1017040382.db2.gz PMVNVBVTXQSRPB-BUQAOYBGSA-N 1 3 366.509 2.730 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CC4CCC3CC4)cc2)CC1 ZINC000814652197 1006379972 /nfs/dbraw/zinc/37/99/72/1006379972.db2.gz VRTKGKQXRXWKAF-WIXQSORDSA-N 1 3 370.541 2.935 20 0 FFADHO Cn1cc(-c2ccnc(C3CC[NH+](CC[C@@H]4CCCN4C)CC3)n2)cn1 ZINC000854102783 1006681306 /nfs/dbraw/zinc/68/13/06/1006681306.db2.gz YQIQPAQFDDXNLP-SFHVURJKSA-N 1 3 354.502 2.541 20 0 FFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(Cc4ccc5c(c4)CCC5)C[C@H]32)CC1 ZINC001188962499 1006823222 /nfs/dbraw/zinc/82/32/22/1006823222.db2.gz BEQCTUHBEGDXLO-LEWJYISDSA-N 1 3 367.537 2.550 20 0 FFADHO CCC1([NH+]2CCCCC2)CCN(C(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000883572885 1006877420 /nfs/dbraw/zinc/87/74/20/1006877420.db2.gz QLTJAHMWEWHURW-UHFFFAOYSA-N 1 3 371.529 2.990 20 0 FFADHO CCOc1ccc(C(=O)N(CC[NH+](CC)CC)C(=N)N)cc1C(F)(F)F ZINC001190656973 1007737807 /nfs/dbraw/zinc/73/78/07/1007737807.db2.gz AZSFLSFOMUZOGX-UHFFFAOYSA-N 1 3 374.407 2.782 20 0 FFADHO COc1ccccc1[C@H](O)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817892715 1007800762 /nfs/dbraw/zinc/80/07/62/1007800762.db2.gz PFOZTHXCOGERAR-UEXGIBASSA-N 1 3 354.450 2.574 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000885860044 1007804231 /nfs/dbraw/zinc/80/42/31/1007804231.db2.gz FQDGQOLSIFTOEG-OAQYLSRUSA-N 1 3 371.525 2.656 20 0 FFADHO Cc1oncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086820175 1007898065 /nfs/dbraw/zinc/89/80/65/1007898065.db2.gz SLAIBEFBLFKFEY-UHOSZYNNSA-N 1 3 362.518 2.620 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCc3cnn(C)c3)C2)ccn1 ZINC000856599165 1007910390 /nfs/dbraw/zinc/91/03/90/1007910390.db2.gz GGXSGHYSWZIBTH-OAQYLSRUSA-N 1 3 371.529 2.741 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCc3cnn(C)c3)C2)ccn1 ZINC000856599165 1007910396 /nfs/dbraw/zinc/91/03/96/1007910396.db2.gz GGXSGHYSWZIBTH-OAQYLSRUSA-N 1 3 371.529 2.741 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCc3cncn3C)C2)ccn1 ZINC000856607197 1007915184 /nfs/dbraw/zinc/91/51/84/1007915184.db2.gz XYUVXTUVDFTKOP-NRFANRHFSA-N 1 3 371.529 2.741 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCc3cncn3C)C2)ccn1 ZINC000856607197 1007915186 /nfs/dbraw/zinc/91/51/86/1007915186.db2.gz XYUVXTUVDFTKOP-NRFANRHFSA-N 1 3 371.529 2.741 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000818539841 1007935307 /nfs/dbraw/zinc/93/53/07/1007935307.db2.gz VSQDMTZKXTZIFA-RTBURBONSA-N 1 3 373.497 2.832 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000819084242 1008030674 /nfs/dbraw/zinc/03/06/74/1008030674.db2.gz LOBROJRCAPTCEH-JTSKRJEESA-N 1 3 354.494 2.964 20 0 FFADHO CC(C)[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000886626656 1008780032 /nfs/dbraw/zinc/78/00/32/1008780032.db2.gz HXMWGVSEJSJDKK-HXUWFJFHSA-N 1 3 356.514 2.734 20 0 FFADHO CCc1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)s1 ZINC001178204629 1008905429 /nfs/dbraw/zinc/90/54/29/1008905429.db2.gz LIQRPGVWBHNDQA-IBGZPJMESA-N 1 3 359.539 2.689 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001274041183 1009305610 /nfs/dbraw/zinc/30/56/10/1009305610.db2.gz BLPGWLQFURYZHX-UHFFFAOYSA-N 1 3 363.468 2.985 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001093025049 1009638778 /nfs/dbraw/zinc/63/87/78/1009638778.db2.gz NVYZYVAZVBGEDA-NXHRZFHOSA-N 1 3 371.516 2.979 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001093025049 1009638786 /nfs/dbraw/zinc/63/87/86/1009638786.db2.gz NVYZYVAZVBGEDA-NXHRZFHOSA-N 1 3 371.516 2.979 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000152155391 1009760328 /nfs/dbraw/zinc/76/03/28/1009760328.db2.gz XLDJRHPEQRZPNE-YLJYHZDGSA-N 1 3 373.545 2.733 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001182002580 1010340825 /nfs/dbraw/zinc/34/08/25/1010340825.db2.gz WFRJUFZHZCZTHT-UBDBMELISA-N 1 3 363.486 2.523 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3ncccc3c2)[C@H](C)C1)N(C)C ZINC001093859617 1010634770 /nfs/dbraw/zinc/63/47/70/1010634770.db2.gz XBJDGFXBXDUJDM-OZOXKJRCSA-N 1 3 368.525 2.759 20 0 FFADHO COCC[C@H](CNC1CC[NH+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000865483212 1010796600 /nfs/dbraw/zinc/79/66/00/1010796600.db2.gz GMZZOFVGWMSDEH-QGZVFWFLSA-N 1 3 369.550 2.913 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc4c(c3)CCC4)[C@H](C)C2)C1 ZINC001094042433 1010804758 /nfs/dbraw/zinc/80/47/58/1010804758.db2.gz URZLDNGVVSDJDS-JBYIUTFZSA-N 1 3 369.553 2.701 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c(C)c1 ZINC001094042198 1010805404 /nfs/dbraw/zinc/80/54/04/1010805404.db2.gz NQRQKEGHUQJYJC-YFVAEKQCSA-N 1 3 357.542 2.829 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2OC)[C@H](C)C1)N(C)C ZINC001094049218 1010808568 /nfs/dbraw/zinc/80/85/68/1010808568.db2.gz MXXTZIQWPKYJJE-QRQLOZEOSA-N 1 3 361.530 2.528 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(-n2cncn2)c1 ZINC000866432719 1010994199 /nfs/dbraw/zinc/99/41/99/1010994199.db2.gz RDIGZVZUBKCIFE-PXNSSMCTSA-N 1 3 362.481 2.663 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(-n2cncn2)c1 ZINC000866432719 1010994203 /nfs/dbraw/zinc/99/42/03/1010994203.db2.gz RDIGZVZUBKCIFE-PXNSSMCTSA-N 1 3 362.481 2.663 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(-n2cncn2)c1 ZINC000866432721 1010994292 /nfs/dbraw/zinc/99/42/92/1010994292.db2.gz RDIGZVZUBKCIFE-XLIONFOSSA-N 1 3 362.481 2.663 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccnc(-n2cncn2)c1 ZINC000866432721 1010994294 /nfs/dbraw/zinc/99/42/94/1010994294.db2.gz RDIGZVZUBKCIFE-XLIONFOSSA-N 1 3 362.481 2.663 20 0 FFADHO c1ncn(-c2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)ccn2)n1 ZINC000866436821 1010994935 /nfs/dbraw/zinc/99/49/35/1010994935.db2.gz XQQYHFWSOWGRKB-WKCHPHFGSA-N 1 3 374.492 2.948 20 0 FFADHO C[C@H](c1ccc2ccccc2c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709238 1011041219 /nfs/dbraw/zinc/04/12/19/1011041219.db2.gz JJOUWJLVPQNYEQ-YGBSJELFSA-N 1 3 351.450 2.768 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC[C@@H]21 ZINC000868032865 1011150829 /nfs/dbraw/zinc/15/08/29/1011150829.db2.gz UGSFAYOZNYISAM-AABGKKOBSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC[C@@H]21 ZINC000868032865 1011150831 /nfs/dbraw/zinc/15/08/31/1011150831.db2.gz UGSFAYOZNYISAM-AABGKKOBSA-N 1 3 356.514 2.559 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868184501 1011192262 /nfs/dbraw/zinc/19/22/62/1011192262.db2.gz RINWVUYGMOKMQO-RBUKOAKNSA-N 1 3 360.502 2.512 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001274398014 1011422251 /nfs/dbraw/zinc/42/22/51/1011422251.db2.gz YTDFCMRTVYGDFG-PMPSAXMXSA-N 1 3 361.452 2.734 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001274398014 1011422262 /nfs/dbraw/zinc/42/22/62/1011422262.db2.gz YTDFCMRTVYGDFG-PMPSAXMXSA-N 1 3 361.452 2.734 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCC(C)(N3CCOCC3)CC2)CN1Cc1ccccc1 ZINC001171758711 1011454483 /nfs/dbraw/zinc/45/44/83/1011454483.db2.gz AJXGHCYBLHPIPM-CTNGQTDRSA-N 1 3 357.542 2.836 20 0 FFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001274637349 1011550455 /nfs/dbraw/zinc/55/04/55/1011550455.db2.gz FISHQBIEPYTEDD-OHSMVPPVSA-N 1 3 359.489 2.779 20 0 FFADHO CC(C)(O)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171989521 1011553367 /nfs/dbraw/zinc/55/33/67/1011553367.db2.gz CYGKNXYXWZYKSC-FQEVSTJZSA-N 1 3 359.558 2.818 20 0 FFADHO CC(C)(O)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171989521 1011553381 /nfs/dbraw/zinc/55/33/81/1011553381.db2.gz CYGKNXYXWZYKSC-FQEVSTJZSA-N 1 3 359.558 2.818 20 0 FFADHO [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005446 1011563218 /nfs/dbraw/zinc/56/32/18/1011563218.db2.gz RBFJFLNRYMFTMH-SFHVURJKSA-N 1 3 361.917 2.829 20 0 FFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001171972637 1011573518 /nfs/dbraw/zinc/57/35/18/1011573518.db2.gz BOAAJNRKZKAGJG-OAHLLOKOSA-N 1 3 371.447 2.732 20 0 FFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001171972637 1011573531 /nfs/dbraw/zinc/57/35/31/1011573531.db2.gz BOAAJNRKZKAGJG-OAHLLOKOSA-N 1 3 371.447 2.732 20 0 FFADHO O[C@@H]1CCCN(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172077467 1011615376 /nfs/dbraw/zinc/61/53/76/1011615376.db2.gz TVMSRSRBRHBTLR-YUMYIRISSA-N 1 3 357.542 2.618 20 0 FFADHO Cn1ccc(CN2CCCC23CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)n1 ZINC001172116198 1011646341 /nfs/dbraw/zinc/64/63/41/1011646341.db2.gz KGNBELYTSXEUMV-WKCHPHFGSA-N 1 3 371.573 2.866 20 0 FFADHO Cn1ccc(CN2CCCC23CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)n1 ZINC001172116198 1011646348 /nfs/dbraw/zinc/64/63/48/1011646348.db2.gz KGNBELYTSXEUMV-WKCHPHFGSA-N 1 3 371.573 2.866 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]31)C2 ZINC001172115877 1011648922 /nfs/dbraw/zinc/64/89/22/1011648922.db2.gz CCVALQHMOONGTI-LUDAKILFSA-N 1 3 371.525 2.845 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]31)C2 ZINC001172115877 1011648933 /nfs/dbraw/zinc/64/89/33/1011648933.db2.gz CCVALQHMOONGTI-LUDAKILFSA-N 1 3 371.525 2.845 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])N[C@H]1CSc2ccccc2C1 ZINC001172198461 1011706570 /nfs/dbraw/zinc/70/65/70/1011706570.db2.gz SWAKBYQUEHQBSQ-ZBFHGGJFSA-N 1 3 351.516 2.883 20 0 FFADHO COCCCN1CCC([N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001172253316 1011727612 /nfs/dbraw/zinc/72/76/12/1011727612.db2.gz KTWDJLVHVZSGHJ-NRFANRHFSA-N 1 3 359.558 2.941 20 0 FFADHO COCCCN1CCC([N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001172253316 1011727623 /nfs/dbraw/zinc/72/76/23/1011727623.db2.gz KTWDJLVHVZSGHJ-NRFANRHFSA-N 1 3 359.558 2.941 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(OC)cc3)CC2)C1 ZINC001172603304 1011878224 /nfs/dbraw/zinc/87/82/24/1011878224.db2.gz KDWDDHDYYCZKDZ-QZTJIDSGSA-N 1 3 360.498 2.763 20 0 FFADHO COc1cccc2c1C[C@H](N1CCC(COCC[NH+]3CCCC3)CC1)CO2 ZINC001173152893 1012296975 /nfs/dbraw/zinc/29/69/75/1012296975.db2.gz SLUVJXABEZBEQT-IBGZPJMESA-N 1 3 374.525 2.823 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Cc1ccc(C(F)(F)F)cc1 ZINC000647804417 1012588990 /nfs/dbraw/zinc/58/89/90/1012588990.db2.gz QDJNPBJCJBMUFL-JLJPHGGASA-N 1 3 371.447 2.588 20 0 FFADHO COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001173452355 1012623302 /nfs/dbraw/zinc/62/33/02/1012623302.db2.gz RHKWTVVSWMHGSH-YSIASYRMSA-N 1 3 366.546 2.931 20 0 FFADHO COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001173452355 1012623309 /nfs/dbraw/zinc/62/33/09/1012623309.db2.gz RHKWTVVSWMHGSH-YSIASYRMSA-N 1 3 366.546 2.931 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647903657 1012624235 /nfs/dbraw/zinc/62/42/35/1012624235.db2.gz NWAWPVBQRZJDGO-VQTJNVASSA-N 1 3 368.529 2.974 20 0 FFADHO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)CN(C)C(C)C)CC1 ZINC000647970130 1012648034 /nfs/dbraw/zinc/64/80/34/1012648034.db2.gz DORFCQAQDZPOON-GOSISDBHSA-N 1 3 358.530 2.937 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000870958798 1012651866 /nfs/dbraw/zinc/65/18/66/1012651866.db2.gz LGPIHUMFMKGLSD-OAQYLSRUSA-N 1 3 372.557 2.920 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)[C@H]3CCCCO3)CC2)CC1 ZINC000871171057 1012765137 /nfs/dbraw/zinc/76/51/37/1012765137.db2.gz XKRXBSQUGQNEOQ-LJQANCHMSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(C)C(=O)[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000648711922 1013024815 /nfs/dbraw/zinc/02/48/15/1013024815.db2.gz LNNBRSISTLJFDN-FQEVSTJZSA-N 1 3 361.530 2.754 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC001097315356 1017336718 /nfs/dbraw/zinc/33/67/18/1017336718.db2.gz WFLPGTLDNUEEAX-NJYVYQBISA-N 1 3 367.537 2.827 20 0 FFADHO Cc1nonc1[C@H](C)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000924706437 1017435246 /nfs/dbraw/zinc/43/52/46/1017435246.db2.gz MRYYRXRUISWNMB-KRWDZBQOSA-N 1 3 357.502 2.627 20 0 FFADHO C[C@@H]([NH3+])[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000925484118 1017765525 /nfs/dbraw/zinc/76/55/25/1017765525.db2.gz CJSWORTYGGKQOU-GCJKJVERSA-N 1 3 352.526 2.612 20 0 FFADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925570833 1017790381 /nfs/dbraw/zinc/79/03/81/1017790381.db2.gz GOAFUWYVSLXUKO-QZTJIDSGSA-N 1 3 357.498 2.560 20 0 FFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925699129 1017820605 /nfs/dbraw/zinc/82/06/05/1017820605.db2.gz URHHTFPYJMXPFU-VNYTWHDVSA-N 1 3 360.546 2.872 20 0 FFADHO C[C@@H]1[C@@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCCN1Cc1ccccc1 ZINC000925801254 1017851327 /nfs/dbraw/zinc/85/13/27/1017851327.db2.gz XJOHHGMNEJRVHQ-NRSPTQNISA-N 1 3 357.542 2.788 20 0 FFADHO O=C1O[C@H](CN[C@H]2CCCOc3cc4c(cc32)CCC4)CC12CC[NH2+]CC2 ZINC000925852569 1017873733 /nfs/dbraw/zinc/87/37/33/1017873733.db2.gz CPHQKIAHOQXTOV-HKUYNNGSSA-N 1 3 370.493 2.664 20 0 FFADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(OC(F)(F)F)c1 ZINC000925856548 1017875701 /nfs/dbraw/zinc/87/57/01/1017875701.db2.gz SINLSURZRSVLJW-DOMZBBRYSA-N 1 3 372.387 2.921 20 0 FFADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000926136209 1017981641 /nfs/dbraw/zinc/98/16/41/1017981641.db2.gz HTZFGXWOFMMWMI-QNDFHXLGSA-N 1 3 355.526 2.934 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccnn1CC1CCC1)C2 ZINC000926877174 1018277959 /nfs/dbraw/zinc/27/79/59/1018277959.db2.gz AKHAPQIRZVQGHY-NQMYEVRTSA-N 1 3 360.546 2.814 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1ccnn1CC1CCC1)C2 ZINC000926877174 1018277964 /nfs/dbraw/zinc/27/79/64/1018277964.db2.gz AKHAPQIRZVQGHY-NQMYEVRTSA-N 1 3 360.546 2.814 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4cnccc4C)C3)C2)CC[N@@H+]1C ZINC001041302388 1018773271 /nfs/dbraw/zinc/77/32/71/1018773271.db2.gz WGHOCJTWUCQFQK-TUNNFDKTSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4cnccc4C)C3)C2)CC[N@H+]1C ZINC001041302388 1018773280 /nfs/dbraw/zinc/77/32/80/1018773280.db2.gz WGHOCJTWUCQFQK-TUNNFDKTSA-N 1 3 370.541 2.545 20 0 FFADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cncnc2)CC3)c1 ZINC001137667638 1032807777 /nfs/dbraw/zinc/80/77/77/1032807777.db2.gz SNWOBTSIURXPJK-UHFFFAOYSA-N 1 3 352.482 2.973 20 0 FFADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cncnc2)CC3)c1 ZINC001137667638 1032807792 /nfs/dbraw/zinc/80/77/92/1032807792.db2.gz SNWOBTSIURXPJK-UHFFFAOYSA-N 1 3 352.482 2.973 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)c1 ZINC001095962938 1019615792 /nfs/dbraw/zinc/61/57/92/1019615792.db2.gz MVJRVYCNMAFCTF-HKBOAZHASA-N 1 3 355.526 2.867 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001045043848 1019796010 /nfs/dbraw/zinc/79/60/10/1019796010.db2.gz PCPPVZFWSIPUNK-IMFGXOCKSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccccc2OC2CC2)CC[N@H+]1C ZINC001045043848 1019796030 /nfs/dbraw/zinc/79/60/30/1019796030.db2.gz PCPPVZFWSIPUNK-IMFGXOCKSA-N 1 3 371.525 2.649 20 0 FFADHO OCCOC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCC(C(F)F)CC1 ZINC000902429847 1020195415 /nfs/dbraw/zinc/19/54/15/1020195415.db2.gz AHDSJGCPIDHZGT-NNVNDSJASA-N 1 3 374.516 2.947 20 0 FFADHO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000903214475 1020746715 /nfs/dbraw/zinc/74/67/15/1020746715.db2.gz AMWZQENGQOQFQC-XRXFAXGQSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000932788341 1020902139 /nfs/dbraw/zinc/90/21/39/1020902139.db2.gz JHPCWQMODBRQKK-QUCCMNQESA-N 1 3 373.541 2.875 20 0 FFADHO C[C@H]1Cc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2O1 ZINC000933150490 1020966399 /nfs/dbraw/zinc/96/63/99/1020966399.db2.gz VJHYZCKRWAKZCG-HNNXBMFYSA-N 1 3 372.513 2.690 20 0 FFADHO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@@H]1C ZINC000934165947 1021155520 /nfs/dbraw/zinc/15/55/20/1021155520.db2.gz JGVNLPXLJXUYNY-IYWMVGAKSA-N 1 3 367.578 2.701 20 0 FFADHO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@H]1C ZINC000934165947 1021155524 /nfs/dbraw/zinc/15/55/24/1021155524.db2.gz JGVNLPXLJXUYNY-IYWMVGAKSA-N 1 3 367.578 2.701 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001098844836 1021230372 /nfs/dbraw/zinc/23/03/72/1021230372.db2.gz LANAVSUMVJECPT-QEEHTWDDSA-N 1 3 361.555 2.867 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001098844836 1021230384 /nfs/dbraw/zinc/23/03/84/1021230384.db2.gz LANAVSUMVJECPT-QEEHTWDDSA-N 1 3 361.555 2.867 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2ncccc2C)C3)CC[N@@H+]1C ZINC001098846773 1021232626 /nfs/dbraw/zinc/23/26/26/1021232626.db2.gz RILSCJWFVIEHNS-RUOSDFBUSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2ncccc2C)C3)CC[N@H+]1C ZINC001098846773 1021232635 /nfs/dbraw/zinc/23/26/35/1021232635.db2.gz RILSCJWFVIEHNS-RUOSDFBUSA-N 1 3 370.541 2.591 20 0 FFADHO CCc1ccc(CCN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1 ZINC001014498794 1021874961 /nfs/dbraw/zinc/87/49/61/1021874961.db2.gz CKWRPILIGRVUKC-QHAWAJNXSA-N 1 3 357.542 2.712 20 0 FFADHO CCc1ccc(CCN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC001014498794 1021874980 /nfs/dbraw/zinc/87/49/80/1021874980.db2.gz CKWRPILIGRVUKC-QHAWAJNXSA-N 1 3 357.542 2.712 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099159893 1021965358 /nfs/dbraw/zinc/96/53/58/1021965358.db2.gz LNQRUOHIVUREPJ-LQWHRVPQSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099159893 1021965364 /nfs/dbraw/zinc/96/53/64/1021965364.db2.gz LNQRUOHIVUREPJ-LQWHRVPQSA-N 1 3 359.489 2.557 20 0 FFADHO O=C(CN1CCCC2(CC[NH2+]CC2)C1)NCCCSc1ccccc1 ZINC001118263456 1022147577 /nfs/dbraw/zinc/14/75/77/1022147577.db2.gz FWTPOTGTEOMWCV-UHFFFAOYSA-N 1 3 361.555 2.751 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccn2)C1 ZINC001099434653 1022520422 /nfs/dbraw/zinc/52/04/22/1022520422.db2.gz YZHLQSYCOADSPT-DWLFOUALSA-N 1 3 370.541 2.673 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC3)C2)C1 ZINC001099500194 1022636788 /nfs/dbraw/zinc/63/67/88/1022636788.db2.gz OLAUYCHOTWZQTC-DZFGPLHGSA-N 1 3 365.537 2.827 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC ZINC001111268874 1022872848 /nfs/dbraw/zinc/87/28/48/1022872848.db2.gz GISPVFIZPVVAAB-MANSERQUSA-N 1 3 353.551 2.645 20 0 FFADHO Cc1ccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(Br)c1 ZINC001137805074 1033114404 /nfs/dbraw/zinc/11/44/04/1033114404.db2.gz FEOZLQYBJUOCNY-ZWKOTPCHSA-N 1 3 366.347 2.968 20 0 FFADHO CC(C)OCC[C@@H](O)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC001120573072 1023366593 /nfs/dbraw/zinc/36/65/93/1023366593.db2.gz MJQNYIJOVPJSFB-MJGOQNOKSA-N 1 3 362.514 2.740 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000829422311 1033149656 /nfs/dbraw/zinc/14/96/56/1033149656.db2.gz APQUEHJPSHQXTK-PMACEKPBSA-N 1 3 356.514 2.782 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000829422311 1033149662 /nfs/dbraw/zinc/14/96/62/1033149662.db2.gz APQUEHJPSHQXTK-PMACEKPBSA-N 1 3 356.514 2.782 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001101285291 1024328982 /nfs/dbraw/zinc/32/89/82/1024328982.db2.gz WYAFSXGRKHWDIA-UTKZUKDTSA-N 1 3 361.505 2.836 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@]2(C)C1 ZINC001101285291 1024328998 /nfs/dbraw/zinc/32/89/98/1024328998.db2.gz WYAFSXGRKHWDIA-UTKZUKDTSA-N 1 3 361.505 2.836 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)c1 ZINC001101345009 1024507409 /nfs/dbraw/zinc/50/74/09/1024507409.db2.gz PCXPNUVSLATUQX-NQIIRXRSSA-N 1 3 361.505 2.756 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(C(F)F)c3)C[C@@]2(C)C1 ZINC001101352184 1024526722 /nfs/dbraw/zinc/52/67/22/1024526722.db2.gz VYRCXTSRBNXQOH-XLIONFOSSA-N 1 3 365.468 2.856 20 0 FFADHO Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477510 1024842791 /nfs/dbraw/zinc/84/27/91/1024842791.db2.gz YAKYQHPTCQRGGB-NQIIRXRSSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477510 1024842814 /nfs/dbraw/zinc/84/28/14/1024842814.db2.gz YAKYQHPTCQRGGB-NQIIRXRSSA-N 1 3 361.505 2.755 20 0 FFADHO COCc1ccc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000718012521 1025274755 /nfs/dbraw/zinc/27/47/55/1025274755.db2.gz WIUAMWOVPZFPLG-UHFFFAOYSA-N 1 3 358.482 2.933 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001102044874 1025347823 /nfs/dbraw/zinc/34/78/23/1025347823.db2.gz IZPJKIUTMKEVRG-MISYRCLQSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001102044874 1025347837 /nfs/dbraw/zinc/34/78/37/1025347837.db2.gz IZPJKIUTMKEVRG-MISYRCLQSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047357 1025354099 /nfs/dbraw/zinc/35/40/99/1025354099.db2.gz DHODGHDUBPLHAT-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102047357 1025354110 /nfs/dbraw/zinc/35/41/10/1025354110.db2.gz DHODGHDUBPLHAT-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048738 1025356540 /nfs/dbraw/zinc/35/65/40/1025356540.db2.gz NDQPTCCUHSMQKF-VMRPVKRXSA-N 1 3 368.525 2.692 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048738 1025356554 /nfs/dbraw/zinc/35/65/54/1025356554.db2.gz NDQPTCCUHSMQKF-VMRPVKRXSA-N 1 3 368.525 2.692 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102050078 1025361365 /nfs/dbraw/zinc/36/13/65/1025361365.db2.gz SPGJCKSYUMXYMF-DYESRHJHSA-N 1 3 369.553 2.844 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102050078 1025361373 /nfs/dbraw/zinc/36/13/73/1025361373.db2.gz SPGJCKSYUMXYMF-DYESRHJHSA-N 1 3 369.553 2.844 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001102070262 1025387587 /nfs/dbraw/zinc/38/75/87/1025387587.db2.gz CAHRHAWTDBNSRS-QRQLOZEOSA-N 1 3 365.587 2.951 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001102070262 1025387598 /nfs/dbraw/zinc/38/75/98/1025387598.db2.gz CAHRHAWTDBNSRS-QRQLOZEOSA-N 1 3 365.587 2.951 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C ZINC001102104247 1025430267 /nfs/dbraw/zinc/43/02/67/1025430267.db2.gz MKZXTDWGWXQSOL-RHSMWYFYSA-N 1 3 351.560 2.971 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1C ZINC001102104247 1025430273 /nfs/dbraw/zinc/43/02/73/1025430273.db2.gz MKZXTDWGWXQSOL-RHSMWYFYSA-N 1 3 351.560 2.971 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638242994 1025750967 /nfs/dbraw/zinc/75/09/67/1025750967.db2.gz XVXFMBHUBJIWMM-KRWDZBQOSA-N 1 3 351.450 2.629 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638242994 1025750986 /nfs/dbraw/zinc/75/09/86/1025750986.db2.gz XVXFMBHUBJIWMM-KRWDZBQOSA-N 1 3 351.450 2.629 20 0 FFADHO CN1CCN(C(C)(C)C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638349760 1025798444 /nfs/dbraw/zinc/79/84/44/1025798444.db2.gz VAIXAHREWOTZSY-IFMALSPDSA-N 1 3 370.585 2.970 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1C)[NH+](CC)CC ZINC001102357808 1025802216 /nfs/dbraw/zinc/80/22/16/1025802216.db2.gz JUZLOGPKXRYQOG-KYJSFNMBSA-N 1 3 366.575 2.756 20 0 FFADHO C[NH+]1CCN(Cc2ccc(CNCc3nc4ccccc4o3)cc2)CC1 ZINC000638368033 1025805466 /nfs/dbraw/zinc/80/54/66/1025805466.db2.gz SOECTCGYCPOPBW-UHFFFAOYSA-N 1 3 350.466 2.865 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638364399 1025806136 /nfs/dbraw/zinc/80/61/36/1025806136.db2.gz ZKNVVLIOWNVJPC-NWSQWKLXSA-N 1 3 370.585 2.970 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1C ZINC001102366942 1025819608 /nfs/dbraw/zinc/81/96/08/1025819608.db2.gz VWBAADIFLLNKGT-LXQLALGOSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1C ZINC001102366942 1025819613 /nfs/dbraw/zinc/81/96/13/1025819613.db2.gz VWBAADIFLLNKGT-LXQLALGOSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001102373095 1025835142 /nfs/dbraw/zinc/83/51/42/1025835142.db2.gz VKFWVWROVZHMHO-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001102373095 1025835164 /nfs/dbraw/zinc/83/51/64/1025835164.db2.gz VKFWVWROVZHMHO-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO CC(C)O[C@H](CNC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000638523320 1025874138 /nfs/dbraw/zinc/87/41/38/1025874138.db2.gz GRJHSTQCPQRRLL-HXUWFJFHSA-N 1 3 361.530 2.685 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428935 1025961813 /nfs/dbraw/zinc/96/18/13/1025961813.db2.gz ZVVQLEVMPYDPDB-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428935 1025961818 /nfs/dbraw/zinc/96/18/18/1025961818.db2.gz ZVVQLEVMPYDPDB-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1C ZINC001102472187 1026037465 /nfs/dbraw/zinc/03/74/65/1026037465.db2.gz NAEDXWJHZFZIBI-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1C ZINC001102472187 1026037482 /nfs/dbraw/zinc/03/74/82/1026037482.db2.gz NAEDXWJHZFZIBI-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1C ZINC001102472364 1026041032 /nfs/dbraw/zinc/04/10/32/1026041032.db2.gz YLQCSFHCXBDHCA-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1C ZINC001102472364 1026041052 /nfs/dbraw/zinc/04/10/52/1026041052.db2.gz YLQCSFHCXBDHCA-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639002161 1026124493 /nfs/dbraw/zinc/12/44/93/1026124493.db2.gz YHRLAQYHVIJVLE-HXUWFJFHSA-N 1 3 351.494 2.761 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC001102504400 1026154176 /nfs/dbraw/zinc/15/41/76/1026154176.db2.gz NQVIHNLMNUBFJJ-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC001102504400 1026154186 /nfs/dbraw/zinc/15/41/86/1026154186.db2.gz NQVIHNLMNUBFJJ-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000639190783 1026215871 /nfs/dbraw/zinc/21/58/71/1026215871.db2.gz CKBARKADASOHHP-HXUWFJFHSA-N 1 3 358.526 2.906 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583105 1026342727 /nfs/dbraw/zinc/34/27/27/1026342727.db2.gz SUDMHEPWNWHZBJ-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1C ZINC001102601048 1026401686 /nfs/dbraw/zinc/40/16/86/1026401686.db2.gz HVOPWNWOMZKRJE-YLJYHZDGSA-N 1 3 368.525 2.759 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C ZINC001102601048 1026401690 /nfs/dbraw/zinc/40/16/90/1026401690.db2.gz HVOPWNWOMZKRJE-YLJYHZDGSA-N 1 3 368.525 2.759 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639684446 1026433481 /nfs/dbraw/zinc/43/34/81/1026433481.db2.gz VBIJCINDBHSREH-LJQANCHMSA-N 1 3 364.493 2.756 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639684446 1026433487 /nfs/dbraw/zinc/43/34/87/1026433487.db2.gz VBIJCINDBHSREH-LJQANCHMSA-N 1 3 364.493 2.756 20 0 FFADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639760015 1026458765 /nfs/dbraw/zinc/45/87/65/1026458765.db2.gz PQVWMSXEFMTJPQ-KRWDZBQOSA-N 1 3 368.525 2.633 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102782449 1026645372 /nfs/dbraw/zinc/64/53/72/1026645372.db2.gz LUNDGEBCVLWEMF-OGWOLHLISA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102782449 1026645380 /nfs/dbraw/zinc/64/53/80/1026645380.db2.gz LUNDGEBCVLWEMF-OGWOLHLISA-N 1 3 365.468 2.633 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)[C@@H]2C1 ZINC000640234033 1026657532 /nfs/dbraw/zinc/65/75/32/1026657532.db2.gz KMDFGJZPAYBMOP-LSTHTHJFSA-N 1 3 352.482 2.575 20 0 FFADHO C[C@@H]1CN(CCF)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001102987657 1026859033 /nfs/dbraw/zinc/85/90/33/1026859033.db2.gz MJSCDQMZLHPLRN-KZNAEPCWSA-N 1 3 353.526 2.685 20 0 FFADHO C[C@@H]1CN(CCF)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001102987657 1026859045 /nfs/dbraw/zinc/85/90/45/1026859045.db2.gz MJSCDQMZLHPLRN-KZNAEPCWSA-N 1 3 353.526 2.685 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C)N(C)C ZINC001103111547 1026971619 /nfs/dbraw/zinc/97/16/19/1026971619.db2.gz ALDKMTQKSXFGKA-HLIPFELVSA-N 1 3 363.521 2.986 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C)N(C)C ZINC001103111547 1026971623 /nfs/dbraw/zinc/97/16/23/1026971623.db2.gz ALDKMTQKSXFGKA-HLIPFELVSA-N 1 3 363.521 2.986 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001158579501 1027066677 /nfs/dbraw/zinc/06/66/77/1027066677.db2.gz UGTUMCVVKPGBLW-AEGPPILISA-N 1 3 373.394 2.631 20 0 FFADHO CN1CCC(N(c2ccc(-c3cccs3)nn2)C2CC[NH2+]CC2)CC1 ZINC001158581818 1027067771 /nfs/dbraw/zinc/06/77/71/1027067771.db2.gz XDZHVHVTDZXUOZ-UHFFFAOYSA-N 1 3 357.527 2.858 20 0 FFADHO N[C@H](c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1)C1CCOCC1 ZINC000641179405 1027154950 /nfs/dbraw/zinc/15/49/50/1027154950.db2.gz KLXSXMRXYDZYHT-NRFANRHFSA-N 1 3 369.513 2.739 20 0 FFADHO O=C([C@H]1CC[C@H](C(F)(F)F)CN1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968354 1027211805 /nfs/dbraw/zinc/21/18/05/1027211805.db2.gz OSRAAVGFFGJXJY-JKSUJKDBSA-N 1 3 373.463 2.784 20 0 FFADHO O=C([C@H]1CC[C@H](C(F)(F)F)CN1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968354 1027211819 /nfs/dbraw/zinc/21/18/19/1027211819.db2.gz OSRAAVGFFGJXJY-JKSUJKDBSA-N 1 3 373.463 2.784 20 0 FFADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NC/C=C\C[NH3+] ZINC000641861817 1027337413 /nfs/dbraw/zinc/33/74/13/1027337413.db2.gz FJSHFHUYRKAOLR-NGXITPROSA-N 1 3 372.557 2.876 20 0 FFADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290871 1027341866 /nfs/dbraw/zinc/34/18/66/1027341866.db2.gz IKHONMKBBHFVEF-UXHICEINSA-N 1 3 353.510 2.814 20 0 FFADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290871 1027341877 /nfs/dbraw/zinc/34/18/77/1027341877.db2.gz IKHONMKBBHFVEF-UXHICEINSA-N 1 3 353.510 2.814 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435831 1027477311 /nfs/dbraw/zinc/47/73/11/1027477311.db2.gz BFBKDBUGDDBJHE-YFVAEKQCSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435831 1027477314 /nfs/dbraw/zinc/47/73/14/1027477314.db2.gz BFBKDBUGDDBJHE-YFVAEKQCSA-N 1 3 357.542 2.911 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1C ZINC001103542479 1027658755 /nfs/dbraw/zinc/65/87/55/1027658755.db2.gz OHGGZMONVGWKEJ-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1C ZINC001103542479 1027658760 /nfs/dbraw/zinc/65/87/60/1027658760.db2.gz OHGGZMONVGWKEJ-HSALFYBXSA-N 1 3 367.578 2.609 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001160348907 1027684530 /nfs/dbraw/zinc/68/45/30/1027684530.db2.gz HNUMRGQVCMAOSX-FUHWJXTLSA-N 1 3 370.522 2.923 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC001160958689 1027947866 /nfs/dbraw/zinc/94/78/66/1027947866.db2.gz ZMAAPBRVPBLNQI-MISYRCLQSA-N 1 3 359.514 2.636 20 0 FFADHO CN(C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161057881 1027989065 /nfs/dbraw/zinc/98/90/65/1027989065.db2.gz ILVFMKGJDSYJED-HBMCJLEFSA-N 1 3 351.494 2.952 20 0 FFADHO CN(C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161057883 1027991800 /nfs/dbraw/zinc/99/18/00/1027991800.db2.gz ILVFMKGJDSYJED-NJYVYQBISA-N 1 3 351.494 2.952 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)cs1 ZINC001103756036 1028144425 /nfs/dbraw/zinc/14/44/25/1028144425.db2.gz WCYFPEINEBVUSJ-CRAIPNDOSA-N 1 3 351.560 2.971 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)cs1 ZINC001103756036 1028144431 /nfs/dbraw/zinc/14/44/31/1028144431.db2.gz WCYFPEINEBVUSJ-CRAIPNDOSA-N 1 3 351.560 2.971 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1C ZINC001103756004 1028144728 /nfs/dbraw/zinc/14/47/28/1028144728.db2.gz UMFXXCMJWRHBHQ-GGPKGHCWSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C ZINC001103756004 1028144738 /nfs/dbraw/zinc/14/47/38/1028144738.db2.gz UMFXXCMJWRHBHQ-GGPKGHCWSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H](C[NH3+])C(=O)N1CCC2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001161420629 1028162165 /nfs/dbraw/zinc/16/21/65/1028162165.db2.gz JDSYOTPNAZFYEN-SFHVURJKSA-N 1 3 363.505 2.905 20 0 FFADHO Cc1nc2ccccc2c(C)c1CC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448247 1028179454 /nfs/dbraw/zinc/17/94/54/1028179454.db2.gz AEBBTUBBCOJUMH-GOSISDBHSA-N 1 3 368.525 2.536 20 0 FFADHO COc1ccc2ccc(C(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC001161451037 1028182250 /nfs/dbraw/zinc/18/22/50/1028182250.db2.gz KARQGJXAQZGHCK-LJQANCHMSA-N 1 3 355.482 2.604 20 0 FFADHO CN1CCN(CCCNc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1 ZINC001161708959 1028290740 /nfs/dbraw/zinc/29/07/40/1028290740.db2.gz ZVDHQSJKDHOVMF-UHFFFAOYSA-N 1 3 369.557 2.856 20 0 FFADHO Cn1c(CNc2cccc(N3CCC([NH3+])CC3)n2)ccc1C(F)(F)F ZINC001155247577 1028646132 /nfs/dbraw/zinc/64/61/32/1028646132.db2.gz RGAIHTJWYHIOAI-UHFFFAOYSA-N 1 3 353.392 2.979 20 0 FFADHO COC(=O)c1ccc(C2(Nc3cccc(N4CCC([NH3+])CC4)n3)CC2)cc1 ZINC001155312080 1028668973 /nfs/dbraw/zinc/66/89/73/1028668973.db2.gz HEOOXUIILIDWCL-UHFFFAOYSA-N 1 3 366.465 2.897 20 0 FFADHO COc1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)nc2ccccc21 ZINC001157842456 1029674309 /nfs/dbraw/zinc/67/43/09/1029674309.db2.gz QRBZIRJJVSUIPN-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001158076424 1029728625 /nfs/dbraw/zinc/72/86/25/1029728625.db2.gz IFGSVHQWFXZVHH-HXUWFJFHSA-N 1 3 373.541 2.831 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3nc(Cl)nc4cccc(Cl)c43)CC2)C1 ZINC001158262816 1029777709 /nfs/dbraw/zinc/77/77/09/1029777709.db2.gz WEIYSPCLZXPMOE-NSHDSACASA-N 1 3 366.296 2.938 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3nc(Cl)nc4cccc(Cl)c43)CC2)C1 ZINC001158262816 1029777719 /nfs/dbraw/zinc/77/77/19/1029777719.db2.gz WEIYSPCLZXPMOE-NSHDSACASA-N 1 3 366.296 2.938 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cnccc1C)C2 ZINC001111949062 1029787606 /nfs/dbraw/zinc/78/76/06/1029787606.db2.gz MGEYGCFLLSIUND-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cnccc1C)C2 ZINC001111949062 1029787609 /nfs/dbraw/zinc/78/76/09/1029787609.db2.gz MGEYGCFLLSIUND-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3[C@H](C)[NH3+])cc2)CC1 ZINC000841017170 1029979299 /nfs/dbraw/zinc/97/92/99/1029979299.db2.gz AYPCIYOAKUYJHZ-LPHOPBHVSA-N 1 3 359.518 2.562 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001112118191 1030045266 /nfs/dbraw/zinc/04/52/66/1030045266.db2.gz XTTASEPLQDMNTQ-KFWWJZLASA-N 1 3 365.484 2.988 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@@H+]1CCC[C@H]1C ZINC000783519052 1030133709 /nfs/dbraw/zinc/13/37/09/1030133709.db2.gz UDPGLPFCCZGMKS-HZPDHXFCSA-N 1 3 372.513 2.826 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@H+]1CCC[C@H]1C ZINC000783519052 1030133720 /nfs/dbraw/zinc/13/37/20/1030133720.db2.gz UDPGLPFCCZGMKS-HZPDHXFCSA-N 1 3 372.513 2.826 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1cccc(OCC[NH3+])c1)c1ccco1 ZINC000841286393 1030158951 /nfs/dbraw/zinc/15/89/51/1030158951.db2.gz PWVVYIKVFMZIPO-RHSMWYFYSA-N 1 3 360.458 2.868 20 0 FFADHO C[C@H]1[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)CCN1Cc1ccccc1 ZINC000841287192 1030159680 /nfs/dbraw/zinc/15/96/80/1030159680.db2.gz XBFRVGSFZLDPSN-JXFKEZNVSA-N 1 3 368.481 2.809 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)CCN1Cc1ccccc1 ZINC000841287195 1030159758 /nfs/dbraw/zinc/15/97/58/1030159758.db2.gz XBFRVGSFZLDPSN-UZLBHIALSA-N 1 3 368.481 2.809 20 0 FFADHO Cc1ccc([C@H](CNC(=O)Nc2cccc(OCC[NH3+])c2)N(C)C)cc1 ZINC000841288618 1030163350 /nfs/dbraw/zinc/16/33/50/1030163350.db2.gz PVPMCDMANNSVJM-IBGZPJMESA-N 1 3 356.470 2.757 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841290104 1030163390 /nfs/dbraw/zinc/16/33/90/1030163390.db2.gz ASWBUWZIOUVJPJ-VQIMIIECSA-N 1 3 368.481 2.981 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841291415 1030164430 /nfs/dbraw/zinc/16/44/30/1030164430.db2.gz PRVOXMDIBOCQTP-UHFFFAOYSA-N 1 3 370.497 2.662 20 0 FFADHO Cn1ccc2c1cc[nH+]c2N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001165908546 1030166423 /nfs/dbraw/zinc/16/64/23/1030166423.db2.gz KEZAVDUCHNRMLY-UHFFFAOYSA-N 1 3 350.470 2.822 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC001166247437 1030319237 /nfs/dbraw/zinc/31/92/37/1030319237.db2.gz HCWGBCOGNFZJOH-ROUUACIJSA-N 1 3 371.525 2.995 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC001166247437 1030319255 /nfs/dbraw/zinc/31/92/55/1030319255.db2.gz HCWGBCOGNFZJOH-ROUUACIJSA-N 1 3 371.525 2.995 20 0 FFADHO C[C@@H](CNC(=O)C1CCN(Cc2ccncc2)CC1)CC(C)(C)CC[NH3+] ZINC001142349847 1030337262 /nfs/dbraw/zinc/33/72/62/1030337262.db2.gz NDAUHEZQUUMIIE-QGZVFWFLSA-N 1 3 360.546 2.811 20 0 FFADHO COCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413606 1030771003 /nfs/dbraw/zinc/77/10/03/1030771003.db2.gz WCZUSGNYCIONKL-ZJOUEHCJSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001112437073 1030807859 /nfs/dbraw/zinc/80/78/59/1030807859.db2.gz WABAXWJDEYHDFN-LPHOPBHVSA-N 1 3 371.516 2.980 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC[C@]3(CCCC(=O)N3)C2)cc1 ZINC001204269158 1031196775 /nfs/dbraw/zinc/19/67/75/1031196775.db2.gz WDOZZPIZWYHYCX-OAQYLSRUSA-N 1 3 359.514 2.652 20 0 FFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000843431394 1031400452 /nfs/dbraw/zinc/40/04/52/1031400452.db2.gz FJZUFCLBHFIFEV-QGZVFWFLSA-N 1 3 369.550 2.580 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001143311335 1031409019 /nfs/dbraw/zinc/40/90/19/1031409019.db2.gz IGYKSUWGUBBHFI-FQEVSTJZSA-N 1 3 373.541 2.850 20 0 FFADHO COc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)c(OCc2ccccc2)c1 ZINC001205220474 1031606013 /nfs/dbraw/zinc/60/60/13/1031606013.db2.gz KOKBXOJFJSPZBF-QFIPXVFZSA-N 1 3 370.493 2.950 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC001205312000 1031662574 /nfs/dbraw/zinc/66/25/74/1031662574.db2.gz OKHXHZIJEKGNBP-WBTXTPOCSA-N 1 3 363.546 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNC/C(Cl)=C\Cl)CC2)CC[N@@H+]1C ZINC001205334270 1031678917 /nfs/dbraw/zinc/67/89/17/1031678917.db2.gz JBDZWFAHOUHUAG-KFOKOMITSA-N 1 3 362.345 2.864 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNC/C(Cl)=C\Cl)CC2)CC[N@H+]1C ZINC001205334270 1031678920 /nfs/dbraw/zinc/67/89/20/1031678920.db2.gz JBDZWFAHOUHUAG-KFOKOMITSA-N 1 3 362.345 2.864 20 0 FFADHO c1c([C@H]2CNCCO2)cn2c1cccc2-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205574603 1031843016 /nfs/dbraw/zinc/84/30/16/1031843016.db2.gz LOSRHPXPUSUYBZ-JOCHJYFZSA-N 1 3 362.477 2.677 20 0 FFADHO COc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)ncc1C(F)(F)F ZINC001218796420 1033344332 /nfs/dbraw/zinc/34/43/32/1033344332.db2.gz WWLIZMUUSGPEQF-LBPRGKRZSA-N 1 3 362.396 2.543 20 0 FFADHO CCOC(=O)c1cc2cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)ccc2o1 ZINC001218868585 1033387724 /nfs/dbraw/zinc/38/77/24/1033387724.db2.gz DULBLKXHBMDWIU-HNNXBMFYSA-N 1 3 361.442 2.607 20 0 FFADHO N[C@@]1(C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)CCc2cc(F)ccc2C1 ZINC001218973111 1033435502 /nfs/dbraw/zinc/43/55/02/1033435502.db2.gz WBKTVNQICRAIAF-NRFANRHFSA-N 1 3 353.441 2.989 20 0 FFADHO N[C@]1(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)CCc2cc(F)ccc2C1 ZINC001218997445 1033448362 /nfs/dbraw/zinc/44/83/62/1033448362.db2.gz UPJDGMMCUJXWBC-LAUBAEHRSA-N 1 3 353.441 2.728 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001219028313 1033474573 /nfs/dbraw/zinc/47/45/73/1033474573.db2.gz ZGBQYSNXUKRZKI-APWZRJJASA-N 1 3 351.450 2.643 20 0 FFADHO CC(C)(C)CCCN1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049655 1033488901 /nfs/dbraw/zinc/48/89/01/1033488901.db2.gz SQKZHZXJWQSWSJ-RBUKOAKNSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)c(C)c1 ZINC001219233293 1033565705 /nfs/dbraw/zinc/56/57/05/1033565705.db2.gz LNABUKSKFAWNJC-NQIIRXRSSA-N 1 3 366.509 2.739 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001219649605 1033733051 /nfs/dbraw/zinc/73/30/51/1033733051.db2.gz KBSMCYJWUXKTOL-JQHSSLGASA-N 1 3 363.933 2.914 20 0 FFADHO CC1(C)C[NH2+][C@](C)(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001219669004 1033741961 /nfs/dbraw/zinc/74/19/61/1033741961.db2.gz IEFGCYKNXADKTQ-QFIPXVFZSA-N 1 3 357.542 2.836 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)C[C@H]1CCNC[C@H]1F)CC21CC[NH2+]CC1 ZINC001219753850 1033795474 /nfs/dbraw/zinc/79/54/74/1033795474.db2.gz MOQGLEHMLBFDCE-ATZDWAIDSA-N 1 3 359.489 2.515 20 0 FFADHO N[C@@H](CC(=O)NC1CC2(C1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC001219777247 1033808937 /nfs/dbraw/zinc/80/89/37/1033808937.db2.gz DQOUHMURKSUKFD-HNNXBMFYSA-N 1 3 355.404 2.744 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC001224843313 1034029448 /nfs/dbraw/zinc/02/94/48/1034029448.db2.gz ALDUELSNZKYCBG-FGTMMUONSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC001224843313 1034029463 /nfs/dbraw/zinc/02/94/63/1034029463.db2.gz ALDUELSNZKYCBG-FGTMMUONSA-N 1 3 364.578 2.869 20 0 FFADHO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)N[C@H](C)CN3CCC(C)CC3)C2)c1 ZINC001220334724 1034123311 /nfs/dbraw/zinc/12/33/11/1034123311.db2.gz AUNIGLIIOJMJOY-NRSPTQNISA-N 1 3 357.542 2.752 20 0 FFADHO [NH3+]CCN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1)C12CC3CC(CC(C3)C1)C2 ZINC001220538376 1034243043 /nfs/dbraw/zinc/24/30/43/1034243043.db2.gz MKGPOQCSFITEQE-HYXCCBOESA-N 1 3 373.463 2.673 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001138449426 1034285881 /nfs/dbraw/zinc/28/58/81/1034285881.db2.gz GYOAHIVMMMJDIY-UHFFFAOYSA-N 1 3 367.541 2.845 20 0 FFADHO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccncc12 ZINC001220868906 1034438356 /nfs/dbraw/zinc/43/83/56/1034438356.db2.gz YXJNOOFEPLEWQI-SFHVURJKSA-N 1 3 356.857 2.706 20 0 FFADHO CN[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)[C@@H](C)OC(C)(C)C ZINC001220917108 1034458581 /nfs/dbraw/zinc/45/85/81/1034458581.db2.gz NEWKGIGZJDAKSX-NJAFHUGGSA-N 1 3 353.551 2.549 20 0 FFADHO CN[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@@H](C)OC(C)(C)C ZINC001220917108 1034458589 /nfs/dbraw/zinc/45/85/89/1034458589.db2.gz NEWKGIGZJDAKSX-NJAFHUGGSA-N 1 3 353.551 2.549 20 0 FFADHO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@H]2NCCC[C@H]2C(F)(F)F)CC1 ZINC001220982577 1034490491 /nfs/dbraw/zinc/49/04/91/1034490491.db2.gz HQDJEVPTPVOUFB-CABCVRRESA-N 1 3 373.394 2.533 20 0 FFADHO Cc1cccnc1O[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138774145 1034643482 /nfs/dbraw/zinc/64/34/82/1034643482.db2.gz ZWNMEZNSZMAFLI-HXUWFJFHSA-N 1 3 355.482 2.984 20 0 FFADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)c1 ZINC001221405380 1034717666 /nfs/dbraw/zinc/71/76/66/1034717666.db2.gz RRIQBUYXEQMWGB-WOJBJXKFSA-N 1 3 369.509 2.679 20 0 FFADHO C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@H+](Cc3occc3[S-])C2)C1=O ZINC001277154080 1034828824 /nfs/dbraw/zinc/82/88/24/1034828824.db2.gz ROHRWRHLBIYIJK-FQEVSTJZSA-N 1 3 371.506 2.620 20 0 FFADHO C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@@H+](Cc3occc3[S-])C2)C1=O ZINC001277154080 1034828836 /nfs/dbraw/zinc/82/88/36/1034828836.db2.gz ROHRWRHLBIYIJK-FQEVSTJZSA-N 1 3 371.506 2.620 20 0 FFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1)C1CC1 ZINC001226801164 1034847092 /nfs/dbraw/zinc/84/70/92/1034847092.db2.gz UEYSUJOMYIUDEG-NJDAHSKKSA-N 1 3 357.542 2.976 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001221574141 1034887806 /nfs/dbraw/zinc/88/78/06/1034887806.db2.gz KMJBSBDWRHWSDM-QGZVFWFLSA-N 1 3 364.559 2.744 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(N4CCCCC4)nc3)CC2)CC1 ZINC001139346474 1035068681 /nfs/dbraw/zinc/06/86/81/1035068681.db2.gz KYHSAGFMRWGYSN-UHFFFAOYSA-N 1 3 371.573 2.531 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-c2ccccc2)nc1 ZINC001139518788 1035144257 /nfs/dbraw/zinc/14/42/57/1035144257.db2.gz ALCPSMOMPYZESO-FCHUYYIVSA-N 1 3 350.510 2.959 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(-c2ccccc2)nc1 ZINC001139518788 1035144262 /nfs/dbraw/zinc/14/42/62/1035144262.db2.gz ALCPSMOMPYZESO-FCHUYYIVSA-N 1 3 350.510 2.959 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001139592844 1035174448 /nfs/dbraw/zinc/17/44/48/1035174448.db2.gz AZGUEMDKJMRMHN-ZWKOTPCHSA-N 1 3 351.922 2.949 20 0 FFADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703443 1035686743 /nfs/dbraw/zinc/68/67/43/1035686743.db2.gz IEEJHXMMPUUUKA-VAMGGRTRSA-N 1 3 365.562 2.695 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1F ZINC001228366962 1036072824 /nfs/dbraw/zinc/07/28/24/1036072824.db2.gz YDWXFLIWIQBKDL-IAGOWNOFSA-N 1 3 355.885 2.948 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C)cc1 ZINC001229212808 1036556045 /nfs/dbraw/zinc/55/60/45/1036556045.db2.gz CRBUEZHHXIMLRK-WOJBJXKFSA-N 1 3 361.530 2.733 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(-c4ncccn4)c3)CC2)CC1 ZINC001140982439 1036619774 /nfs/dbraw/zinc/61/97/74/1036619774.db2.gz JYDKADFLYFZOLS-UHFFFAOYSA-N 1 3 365.525 2.603 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1OC ZINC001229523707 1036718542 /nfs/dbraw/zinc/71/85/42/1036718542.db2.gz IWDMZOZGSPARHN-QZTJIDSGSA-N 1 3 365.493 2.693 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1OC ZINC001229523707 1036718559 /nfs/dbraw/zinc/71/85/59/1036718559.db2.gz IWDMZOZGSPARHN-QZTJIDSGSA-N 1 3 365.493 2.693 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001229860703 1036943900 /nfs/dbraw/zinc/94/39/00/1036943900.db2.gz ZSLFQEZXGKJBEQ-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1OC ZINC001229876821 1036953134 /nfs/dbraw/zinc/95/31/34/1036953134.db2.gz CPOFADHHAOTOBA-QZTJIDSGSA-N 1 3 365.493 2.693 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC001230280442 1037191301 /nfs/dbraw/zinc/19/13/01/1037191301.db2.gz XSTKAQFBUMUTRT-WOJBJXKFSA-N 1 3 360.546 2.610 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001207263635 1037299480 /nfs/dbraw/zinc/29/94/80/1037299480.db2.gz YGYXSHBFGNONHL-KBAYOESNSA-N 1 3 369.550 2.797 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001207263635 1037299495 /nfs/dbraw/zinc/29/94/95/1037299495.db2.gz YGYXSHBFGNONHL-KBAYOESNSA-N 1 3 369.550 2.797 20 0 FFADHO CN(C)CC(C)(C)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccco3)CO2)CC1 ZINC001207279742 1037307327 /nfs/dbraw/zinc/30/73/27/1037307327.db2.gz IWTHRMKYOKEJIO-GOSISDBHSA-N 1 3 363.546 2.923 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001207281871 1037314888 /nfs/dbraw/zinc/31/48/88/1037314888.db2.gz IUCYBYMOSNXTGM-UHFFFAOYSA-N 1 3 364.559 2.659 20 0 FFADHO C[N@H+](Cc1cccc(F)c1)C1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC001207306645 1037336029 /nfs/dbraw/zinc/33/60/29/1037336029.db2.gz ZFWQODKXDLYAIC-UHFFFAOYSA-N 1 3 363.521 2.833 20 0 FFADHO C[N@@H+](Cc1cccc(F)c1)C1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC001207306645 1037336041 /nfs/dbraw/zinc/33/60/41/1037336041.db2.gz ZFWQODKXDLYAIC-UHFFFAOYSA-N 1 3 363.521 2.833 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccsc2[C@@H]1C ZINC001230859037 1037379431 /nfs/dbraw/zinc/37/94/31/1037379431.db2.gz QYMUKBVVXBUCJZ-GJZGRUSLSA-N 1 3 352.548 2.649 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccsc2[C@@H]1C ZINC001230859037 1037379454 /nfs/dbraw/zinc/37/94/54/1037379454.db2.gz QYMUKBVVXBUCJZ-GJZGRUSLSA-N 1 3 352.548 2.649 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001207649962 1037631670 /nfs/dbraw/zinc/63/16/70/1037631670.db2.gz PUHQEZNIEVFRKR-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001207649962 1037631677 /nfs/dbraw/zinc/63/16/77/1037631677.db2.gz PUHQEZNIEVFRKR-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO O=C1C[C@@H]2[C@H](CCN2Cc2ccc3c(c2)CC[NH2+]C3)N1c1ccsc1 ZINC001235587615 1037634067 /nfs/dbraw/zinc/63/40/67/1037634067.db2.gz KJPVJJHMYQLAHZ-RBUKOAKNSA-N 1 3 353.491 2.774 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CC3CCSCC3)CC2)C1 ZINC001207696644 1037661418 /nfs/dbraw/zinc/66/14/18/1037661418.db2.gz JYPPOIQGPMTAKP-KRWDZBQOSA-N 1 3 354.560 2.869 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CC3CCSCC3)CC2)C1 ZINC001207696644 1037661422 /nfs/dbraw/zinc/66/14/22/1037661422.db2.gz JYPPOIQGPMTAKP-KRWDZBQOSA-N 1 3 354.560 2.869 20 0 FFADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CN2CCC1CC2)CC(F)(F)F ZINC001207723363 1037677708 /nfs/dbraw/zinc/67/77/08/1037677708.db2.gz HYZMCRMZMSRCFY-KGLIPLIRSA-N 1 3 365.440 2.764 20 0 FFADHO Cc1c[nH+]ccc1N1CCN(C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001207781539 1037720194 /nfs/dbraw/zinc/72/01/94/1037720194.db2.gz DXYXOOFXZMLUIV-NNZMDNLPSA-N 1 3 372.513 2.625 20 0 FFADHO Brc1cccc([C@@H]2CN(CC[C@H]3CCCC[NH2+]3)CCN2)c1 ZINC001235796690 1037748418 /nfs/dbraw/zinc/74/84/18/1037748418.db2.gz UPAUYROCEYVWHY-SJORKVTESA-N 1 3 352.320 2.928 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc4nc(C)ccc4c3)C[C@H]1CNCC2 ZINC001236039614 1037899546 /nfs/dbraw/zinc/89/95/46/1037899546.db2.gz WGZOZMMKGOZCEA-WIYYLYMNSA-N 1 3 353.466 2.518 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc4nc(C)ccc4c3)C[C@H]1CNCC2 ZINC001236039614 1037899559 /nfs/dbraw/zinc/89/95/59/1037899559.db2.gz WGZOZMMKGOZCEA-WIYYLYMNSA-N 1 3 353.466 2.518 20 0 FFADHO CCOC(=O)[C@]12CN(Cc3cccc4nc(C)ccc34)C[C@H]1C[NH2+]CC2 ZINC001236040581 1037903145 /nfs/dbraw/zinc/90/31/45/1037903145.db2.gz PIKYJXNACZDSQT-DYESRHJHSA-N 1 3 353.466 2.518 20 0 FFADHO c1ccc(N2CC[NH2+]CC2)c(CN2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001236059665 1037910130 /nfs/dbraw/zinc/91/01/30/1037910130.db2.gz JWKNXSVLTAVWEK-HSZRJFAPSA-N 1 3 362.521 2.511 20 0 FFADHO CC(C)Oc1ccc(Cl)cc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236128051 1037943405 /nfs/dbraw/zinc/94/34/05/1037943405.db2.gz JGHDNNNAMZJRDF-UHFFFAOYSA-N 1 3 351.922 2.997 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001236183790 1037971577 /nfs/dbraw/zinc/97/15/77/1037971577.db2.gz JBEVDJYMOFSVJH-GSEOLPGOSA-N 1 3 363.496 2.931 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001236183790 1037971588 /nfs/dbraw/zinc/97/15/88/1037971588.db2.gz JBEVDJYMOFSVJH-GSEOLPGOSA-N 1 3 363.496 2.931 20 0 FFADHO COC(=O)COc1ccccc1CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376936 1038062564 /nfs/dbraw/zinc/06/25/64/1038062564.db2.gz WIKKSNILHCCIQO-QGZVFWFLSA-N 1 3 360.498 2.983 20 0 FFADHO Cc1ccc(CN(CCN2CCOCC2)CC2CC[NH2+]CC2)c(Cl)c1 ZINC001236400667 1038073072 /nfs/dbraw/zinc/07/30/72/1038073072.db2.gz HQCWSBZOGSJXLL-UHFFFAOYSA-N 1 3 365.949 2.782 20 0 FFADHO C[C@H]1CNCC(F)(F)[C@@H]1CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400483 1038074746 /nfs/dbraw/zinc/07/47/46/1038074746.db2.gz DGDYPZICTUXWFJ-KBXCAEBGSA-N 1 3 355.448 2.871 20 0 FFADHO CN(C)CC1(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)CCCC1 ZINC001208186692 1038124479 /nfs/dbraw/zinc/12/44/79/1038124479.db2.gz MRZXGENMYPCNRR-SJORKVTESA-N 1 3 362.543 2.554 20 0 FFADHO CN(C)CC1(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)CCCC1 ZINC001208186692 1038124488 /nfs/dbraw/zinc/12/44/88/1038124488.db2.gz MRZXGENMYPCNRR-SJORKVTESA-N 1 3 362.543 2.554 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001255940826 1038267292 /nfs/dbraw/zinc/26/72/92/1038267292.db2.gz HCIAYBCKVXYAKL-FXAWDEMLSA-N 1 3 371.566 2.849 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001255940826 1038267302 /nfs/dbraw/zinc/26/73/02/1038267302.db2.gz HCIAYBCKVXYAKL-FXAWDEMLSA-N 1 3 371.566 2.849 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001255962809 1038278874 /nfs/dbraw/zinc/27/88/74/1038278874.db2.gz ZSHFXZOSQJHLJH-IBGZPJMESA-N 1 3 361.578 2.971 20 0 FFADHO CCOc1cncc(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001236836625 1038298291 /nfs/dbraw/zinc/29/82/91/1038298291.db2.gz AKGDQVSUIFSJSF-UHFFFAOYSA-N 1 3 369.513 2.721 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]C1CCN(CC(C)C)CC1 ZINC001255998189 1038302990 /nfs/dbraw/zinc/30/29/90/1038302990.db2.gz UWQJRJIKNYKZGF-UHFFFAOYSA-N 1 3 370.534 2.752 20 0 FFADHO O=C1NC2(C[C@@H]1c1ccccc1)CCN(C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077330 1038361457 /nfs/dbraw/zinc/36/14/57/1038361457.db2.gz FJPJWKHKPAASID-HXUWFJFHSA-N 1 3 353.510 2.752 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H]3OCCC[C@]3(COc3ncccc3F)C2)CC1 ZINC001256207309 1038432025 /nfs/dbraw/zinc/43/20/25/1038432025.db2.gz HMDWSEVHDDKHPK-AZUAARDMSA-N 1 3 363.477 2.565 20 0 FFADHO CC[NH+]1CCC(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)CC1 ZINC001208596169 1038433379 /nfs/dbraw/zinc/43/33/79/1038433379.db2.gz DSZWWWZCHXUVDU-LJQANCHMSA-N 1 3 369.513 2.521 20 0 FFADHO C[C@H]1C[C@@H]([NH+]2CCC(N3CCN(C)CC3)CC2)CCN1Cc1ccccc1 ZINC001256550518 1038555634 /nfs/dbraw/zinc/55/56/34/1038555634.db2.gz MUMBCFFSEQZFSP-REWPJTCUSA-N 1 3 370.585 2.751 20 0 FFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2ccc4ncoc4c2)CC3)cn1 ZINC001278955728 1038597039 /nfs/dbraw/zinc/59/70/39/1038597039.db2.gz VQLBAADNVYDAOZ-UHFFFAOYSA-N 1 3 351.454 2.622 20 0 FFADHO CC(C)(C)OC(=O)NC1(C[NH2+]C2CCC(N3CCOCC3)CC2)CCC1 ZINC001256688458 1038603409 /nfs/dbraw/zinc/60/34/09/1038603409.db2.gz AHPIJLPDAAMIIH-UHFFFAOYSA-N 1 3 367.534 2.667 20 0 FFADHO C[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC(N2CCOCC2)CC1 ZINC001256689462 1038603685 /nfs/dbraw/zinc/60/36/85/1038603685.db2.gz VYXDRQFPYHGLBO-LZBANZJXSA-N 1 3 357.542 2.836 20 0 FFADHO C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC(N2CCOCC2)CC1 ZINC001256689462 1038603691 /nfs/dbraw/zinc/60/36/91/1038603691.db2.gz VYXDRQFPYHGLBO-LZBANZJXSA-N 1 3 357.542 2.836 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@@H+]3CCC[C@H](Oc4ncccn4)C3)C2)cc1 ZINC001208955880 1038606499 /nfs/dbraw/zinc/60/64/99/1038606499.db2.gz GHEWCUDJZFVPRY-PMACEKPBSA-N 1 3 352.482 2.842 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@H+]3CCC[C@H](Oc4ncccn4)C3)C2)cc1 ZINC001208955880 1038606503 /nfs/dbraw/zinc/60/65/03/1038606503.db2.gz GHEWCUDJZFVPRY-PMACEKPBSA-N 1 3 352.482 2.842 20 0 FFADHO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC001256998389 1038675753 /nfs/dbraw/zinc/67/57/53/1038675753.db2.gz JVJHMKIWRGPDLA-IAGOWNOFSA-N 1 3 368.518 2.504 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001257063114 1038697475 /nfs/dbraw/zinc/69/74/75/1038697475.db2.gz PCLFOBMYQCPTPJ-IYWMVGAKSA-N 1 3 364.530 2.541 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)C1 ZINC001257063114 1038697477 /nfs/dbraw/zinc/69/74/77/1038697477.db2.gz PCLFOBMYQCPTPJ-IYWMVGAKSA-N 1 3 364.530 2.541 20 0 FFADHO CN1CCC[C@@H]1CC[NH2+]C[C@H](O)COCc1c(Cl)cccc1Cl ZINC001250919304 1038814196 /nfs/dbraw/zinc/81/41/96/1038814196.db2.gz KCFRZPMXIMOESF-KGLIPLIRSA-N 1 3 361.313 2.945 20 0 FFADHO CCOC(=O)C1CCC(O)(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001251073052 1038924840 /nfs/dbraw/zinc/92/48/40/1038924840.db2.gz HLKSLVZDQXOCIW-UHFFFAOYSA-N 1 3 354.535 2.712 20 0 FFADHO [NH3+]C1CCN(Cc2ccc(C3=CC[C@@H](N4CCOCC4)CC3)cc2)CC1 ZINC001245424628 1039002664 /nfs/dbraw/zinc/00/26/64/1039002664.db2.gz FEVSYYKKNBLFIH-JOCHJYFZSA-N 1 3 355.526 2.878 20 0 FFADHO CC(C)CN1CCC([N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)CC1 ZINC001258015625 1039114705 /nfs/dbraw/zinc/11/47/05/1039114705.db2.gz YWWGNZRJTAWAIS-UHFFFAOYSA-N 1 3 357.542 2.779 20 0 FFADHO CC(C)CN1CCC([N@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)CC1 ZINC001258015625 1039114712 /nfs/dbraw/zinc/11/47/12/1039114712.db2.gz YWWGNZRJTAWAIS-UHFFFAOYSA-N 1 3 357.542 2.779 20 0 FFADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001246027105 1039199427 /nfs/dbraw/zinc/19/94/27/1039199427.db2.gz WPMVNLXMYCWUHR-SZVBFZGTSA-N 1 3 362.514 2.561 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001246031132 1039203299 /nfs/dbraw/zinc/20/32/99/1039203299.db2.gz IYFRYHISOAHOMU-FCHUYYIVSA-N 1 3 350.506 2.897 20 0 FFADHO CCOC(=O)C1=C(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCNC1 ZINC001246285309 1039298271 /nfs/dbraw/zinc/29/82/71/1039298271.db2.gz RHWYVYGXPMMUDN-IZZQQSIFSA-N 1 3 371.525 2.828 20 0 FFADHO CCOC(=O)C1=C(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCNC1 ZINC001246285309 1039298282 /nfs/dbraw/zinc/29/82/82/1039298282.db2.gz RHWYVYGXPMMUDN-IZZQQSIFSA-N 1 3 371.525 2.828 20 0 FFADHO Fc1ccccc1CC1([NH2+][C@H]2CCN[C@@H](C(F)(F)F)C2)CCNCC1 ZINC001246380130 1039331518 /nfs/dbraw/zinc/33/15/18/1039331518.db2.gz FMOZZNCJODKOPB-GOEBONIOSA-N 1 3 359.411 2.763 20 0 FFADHO Fc1ccccc1CC1(N[C@H]2CCN[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246380130 1039331529 /nfs/dbraw/zinc/33/15/29/1039331529.db2.gz FMOZZNCJODKOPB-GOEBONIOSA-N 1 3 359.411 2.763 20 0 FFADHO CCC(CC)[C@@H]([NH2+]C1CCC(CC)CC1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246414275 1039345038 /nfs/dbraw/zinc/34/50/38/1039345038.db2.gz JZGXXZGOBZSCQY-TZMSBQTMSA-N 1 3 368.562 2.847 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCC(c3ccc(Br)cc3)CC2)C[C@H]1O ZINC001246563897 1039400108 /nfs/dbraw/zinc/40/01/08/1039400108.db2.gz DFZWONLNGVIOGY-OKEQZYBDSA-N 1 3 353.304 2.869 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCC(c3ccc(Br)cc3)CC2)C[C@H]1O ZINC001246563897 1039400117 /nfs/dbraw/zinc/40/01/17/1039400117.db2.gz DFZWONLNGVIOGY-OKEQZYBDSA-N 1 3 353.304 2.869 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]1CNCCC2 ZINC001246599929 1039410203 /nfs/dbraw/zinc/41/02/03/1039410203.db2.gz CDSZZPRXRFZZHG-YRNRMSPPSA-N 1 3 362.901 2.672 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]1CNCCC2 ZINC001246599929 1039410213 /nfs/dbraw/zinc/41/02/13/1039410213.db2.gz CDSZZPRXRFZZHG-YRNRMSPPSA-N 1 3 362.901 2.672 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@]23CNC[C@@H](C[C@@H]2C1)O3 ZINC001246683439 1039436849 /nfs/dbraw/zinc/43/68/49/1039436849.db2.gz JTRXLLGYIBJXRW-PAYONLEZSA-N 1 3 370.415 2.969 20 0 FFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]23CNC[C@@H](C[C@@H]2C1)O3 ZINC001246683439 1039436858 /nfs/dbraw/zinc/43/68/58/1039436858.db2.gz JTRXLLGYIBJXRW-PAYONLEZSA-N 1 3 370.415 2.969 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246721918 1039450170 /nfs/dbraw/zinc/45/01/70/1039450170.db2.gz POXOBHPPOFUTKO-SYYKKAFVSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CCN1 ZINC001246721918 1039450180 /nfs/dbraw/zinc/45/01/80/1039450180.db2.gz POXOBHPPOFUTKO-SYYKKAFVSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CCN1 ZINC001246721918 1039450187 /nfs/dbraw/zinc/45/01/87/1039450187.db2.gz POXOBHPPOFUTKO-SYYKKAFVSA-N 1 3 355.526 2.684 20 0 FFADHO O=C(c1ccccc1)N1CCC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246725418 1039452387 /nfs/dbraw/zinc/45/23/87/1039452387.db2.gz ZOZGJJYAOZJCTF-YOFSQIOKSA-N 1 3 353.510 2.898 20 0 FFADHO c1cncc(COC[C@@]23CCCO[C@H]2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c1 ZINC001246744504 1039457827 /nfs/dbraw/zinc/45/78/27/1039457827.db2.gz BJQXFIIZYUPCPK-OACCOTFLSA-N 1 3 371.525 2.752 20 0 FFADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCN1 ZINC001246745322 1039461743 /nfs/dbraw/zinc/46/17/43/1039461743.db2.gz GVPRGIOFQVFQEI-JKBKZWBZSA-N 1 3 359.514 2.720 20 0 FFADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCN1 ZINC001246745322 1039461751 /nfs/dbraw/zinc/46/17/51/1039461751.db2.gz GVPRGIOFQVFQEI-JKBKZWBZSA-N 1 3 359.514 2.720 20 0 FFADHO c1ccc(COC[C@@]23CCCO[C@@H]2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)nc1 ZINC001246771618 1039474253 /nfs/dbraw/zinc/47/42/53/1039474253.db2.gz WYMWNCDCPCJMKU-VLGPWRRXSA-N 1 3 371.525 2.752 20 0 FFADHO c1ccc(COC[C@@]23CCCO[C@H]2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)nc1 ZINC001246771615 1039474470 /nfs/dbraw/zinc/47/44/70/1039474470.db2.gz WYMWNCDCPCJMKU-OSUGSUFTSA-N 1 3 371.525 2.752 20 0 FFADHO Brc1cccc([C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2)c1 ZINC001246808673 1039488730 /nfs/dbraw/zinc/48/87/30/1039488730.db2.gz YCAISQHSZGFKHW-FCLJQHQZSA-N 1 3 350.304 2.678 20 0 FFADHO C[C@@H](Cc1cccc(Br)c1)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001246887943 1039519069 /nfs/dbraw/zinc/51/90/69/1039519069.db2.gz RCNVWWOJIKJXFB-HNNXBMFYSA-N 1 3 366.347 2.750 20 0 FFADHO CC[NH+]1CCC(CC2CCN([C@H]3CN[C@@](CC)(C(=O)OC)C3)CC2)CC1 ZINC001246901292 1039524268 /nfs/dbraw/zinc/52/42/68/1039524268.db2.gz KZBVDUALFJNULX-TZIWHRDSSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258845775 1039534710 /nfs/dbraw/zinc/53/47/10/1039534710.db2.gz GKGQDAOIXROPSQ-OAQYLSRUSA-N 1 3 367.537 2.832 20 0 FFADHO CC[C@H](Cc1ccccc1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258845775 1039534721 /nfs/dbraw/zinc/53/47/21/1039534721.db2.gz GKGQDAOIXROPSQ-OAQYLSRUSA-N 1 3 367.537 2.832 20 0 FFADHO C[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427542 1039541218 /nfs/dbraw/zinc/54/12/18/1039541218.db2.gz WIJFZZBCVFZSKE-QLFBSQMISA-N 1 3 364.361 2.739 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOc2cccc(C)c2)C[C@H]1C ZINC001210497276 1039582597 /nfs/dbraw/zinc/58/25/97/1039582597.db2.gz CCXAXUJZTMLDLL-UYAOXDASSA-N 1 3 361.530 2.542 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOc2cccc(C)c2)C[C@H]1C ZINC001210497276 1039582617 /nfs/dbraw/zinc/58/26/17/1039582617.db2.gz CCXAXUJZTMLDLL-UYAOXDASSA-N 1 3 361.530 2.542 20 0 FFADHO Cc1ccc2[nH]nc(CN3CCC[C@@]4(CC[N@@H+](CCN(C)C)C4)C3)c2c1 ZINC001278484407 1039735896 /nfs/dbraw/zinc/73/58/96/1039735896.db2.gz AOZQOGBSQJMQGO-NRFANRHFSA-N 1 3 355.530 2.721 20 0 FFADHO Cc1ccc2[nH]nc(CN3CCC[C@@]4(CC[N@H+](CCN(C)C)C4)C3)c2c1 ZINC001278484407 1039735913 /nfs/dbraw/zinc/73/59/13/1039735913.db2.gz AOZQOGBSQJMQGO-NRFANRHFSA-N 1 3 355.530 2.721 20 0 FFADHO O[C@]1(CNC2(c3ccccc3)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252944045 1039841989 /nfs/dbraw/zinc/84/19/89/1039841989.db2.gz TUDXZGMSNQPFGA-QFIPXVFZSA-N 1 3 366.505 2.919 20 0 FFADHO O[C@]1(CNC2(c3ccccc3)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944045 1039842009 /nfs/dbraw/zinc/84/20/09/1039842009.db2.gz TUDXZGMSNQPFGA-QFIPXVFZSA-N 1 3 366.505 2.919 20 0 FFADHO C[C@@H]1CN(CCOCC2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094558 1039942955 /nfs/dbraw/zinc/94/29/55/1039942955.db2.gz FUJIYPPUIJBVLT-UYAOXDASSA-N 1 3 365.562 2.506 20 0 FFADHO FC(F)(F)Oc1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1Cl ZINC001247831635 1039979244 /nfs/dbraw/zinc/97/92/44/1039979244.db2.gz UTYZDNOSPVVYGU-VIFPVBQESA-N 1 3 374.750 2.565 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2 ZINC001253193718 1040035182 /nfs/dbraw/zinc/03/51/82/1040035182.db2.gz HZJPSFDGMIYPMD-RDGPPVDQSA-N 1 3 363.550 2.581 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2 ZINC001253193718 1040035195 /nfs/dbraw/zinc/03/51/95/1040035195.db2.gz HZJPSFDGMIYPMD-RDGPPVDQSA-N 1 3 363.550 2.581 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CCc2ccccc2C1 ZINC001211269226 1040052381 /nfs/dbraw/zinc/05/23/81/1040052381.db2.gz OUUUXLCFUMUZBH-NJDAHSKKSA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CCc2ccccc2C1 ZINC001211269226 1040052393 /nfs/dbraw/zinc/05/23/93/1040052393.db2.gz OUUUXLCFUMUZBH-NJDAHSKKSA-N 1 3 370.541 2.559 20 0 FFADHO c1n[nH]cc1C[NH2+][C@]12CC[C@](NCc3cnc4ccccn34)(C1)CCC2 ZINC001278495754 1040076107 /nfs/dbraw/zinc/07/61/07/1040076107.db2.gz VUBHLCDTWLIECS-UXHICEINSA-N 1 3 350.470 2.782 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@H]1CCc2ccc(Br)cc2C1 ZINC001253410267 1040159093 /nfs/dbraw/zinc/15/90/93/1040159093.db2.gz DVQPETLTPPWZOC-HOTGVXAUSA-N 1 3 355.320 2.645 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)nc1 ZINC001278727219 1040242642 /nfs/dbraw/zinc/24/26/42/1040242642.db2.gz BPBQICQYQPPYPU-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)nc1 ZINC001278727219 1040242647 /nfs/dbraw/zinc/24/26/47/1040242647.db2.gz BPBQICQYQPPYPU-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253636148 1040272667 /nfs/dbraw/zinc/27/26/67/1040272667.db2.gz LHZIVZZZISQWCF-VWPQPMDRSA-N 1 3 374.525 2.820 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253636148 1040272675 /nfs/dbraw/zinc/27/26/75/1040272675.db2.gz LHZIVZZZISQWCF-VWPQPMDRSA-N 1 3 374.525 2.820 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001254024194 1040526467 /nfs/dbraw/zinc/52/64/67/1040526467.db2.gz UMYZAYHFUUIJFA-AKHDSKFASA-N 1 3 362.514 2.818 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001254024194 1040526486 /nfs/dbraw/zinc/52/64/86/1040526486.db2.gz UMYZAYHFUUIJFA-AKHDSKFASA-N 1 3 362.514 2.818 20 0 FFADHO CO[C@@H]1CCC[C@@H]2C[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001254036184 1040537372 /nfs/dbraw/zinc/53/73/72/1040537372.db2.gz FOLJYXPFEYHESJ-QHAWAJNXSA-N 1 3 358.526 2.760 20 0 FFADHO CO[C@@H]1CCC[C@@H]2C[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001254036184 1040537389 /nfs/dbraw/zinc/53/73/89/1040537389.db2.gz FOLJYXPFEYHESJ-QHAWAJNXSA-N 1 3 358.526 2.760 20 0 FFADHO OC1(C[N@@H+]2CC[C@@H](c3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254037971 1040538395 /nfs/dbraw/zinc/53/83/95/1040538395.db2.gz WFPZFONXFIDCCM-OAQYLSRUSA-N 1 3 351.494 2.898 20 0 FFADHO OC1(C[N@H+]2CC[C@@H](c3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254037971 1040538414 /nfs/dbraw/zinc/53/84/14/1040538414.db2.gz WFPZFONXFIDCCM-OAQYLSRUSA-N 1 3 351.494 2.898 20 0 FFADHO Cc1nnc([C@@H]2CCC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)o1 ZINC001254043103 1040544694 /nfs/dbraw/zinc/54/46/94/1040544694.db2.gz YXDUNBHEJPCKPI-LJQANCHMSA-N 1 3 370.497 2.585 20 0 FFADHO Cc1nnc([C@@H]2CCC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)o1 ZINC001254043103 1040544708 /nfs/dbraw/zinc/54/47/08/1040544708.db2.gz YXDUNBHEJPCKPI-LJQANCHMSA-N 1 3 370.497 2.585 20 0 FFADHO NCCC[NH2+]CCCCn1cc(-c2ccc(Br)cc2F)nn1 ZINC001254163831 1040590422 /nfs/dbraw/zinc/59/04/22/1040590422.db2.gz YKIHFUXLJWMPJO-UHFFFAOYSA-N 1 3 370.270 2.565 20 0 FFADHO CCOC(=O)c1ccc2c(CN(CCOC)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001249150512 1040606518 /nfs/dbraw/zinc/60/65/18/1040606518.db2.gz BRPBKMATCIGXEJ-UHFFFAOYSA-N 1 3 373.497 2.887 20 0 FFADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254380372 1040690500 /nfs/dbraw/zinc/69/05/00/1040690500.db2.gz NEYPGXXGFFMCNJ-WOJBJXKFSA-N 1 3 359.514 2.564 20 0 FFADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254380371 1040690896 /nfs/dbraw/zinc/69/08/96/1040690896.db2.gz NEYPGXXGFFMCNJ-VQTJNVASSA-N 1 3 359.514 2.564 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001254474813 1040739323 /nfs/dbraw/zinc/73/93/23/1040739323.db2.gz SPDIWRGIGZRUBW-NHCUHLMSSA-N 1 3 370.541 2.839 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655560 1040764735 /nfs/dbraw/zinc/76/47/35/1040764735.db2.gz SQVUVACUYMUGNZ-ILWWCXPUSA-N 1 3 365.562 2.669 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254518572 1040765365 /nfs/dbraw/zinc/76/53/65/1040765365.db2.gz OFMSWNYLDDBQSW-OALUTQOASA-N 1 3 361.530 2.819 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254518572 1040765376 /nfs/dbraw/zinc/76/53/76/1040765376.db2.gz OFMSWNYLDDBQSW-OALUTQOASA-N 1 3 361.530 2.819 20 0 FFADHO COCCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254529148 1040781502 /nfs/dbraw/zinc/78/15/02/1040781502.db2.gz DSDHLUQHTUFBPJ-QZTJIDSGSA-N 1 3 369.550 2.819 20 0 FFADHO COCCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254529148 1040781518 /nfs/dbraw/zinc/78/15/18/1040781518.db2.gz DSDHLUQHTUFBPJ-QZTJIDSGSA-N 1 3 369.550 2.819 20 0 FFADHO CN1C(=O)[C@H](c2ccccc2)CC12CCN([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254857765 1041012266 /nfs/dbraw/zinc/01/22/66/1041012266.db2.gz CKFBMSKAHYYSAP-RTWAWAEBSA-N 1 3 367.537 2.951 20 0 FFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)C1 ZINC001254998415 1041092705 /nfs/dbraw/zinc/09/27/05/1041092705.db2.gz XKBLEWQDRLUOSB-UBAMBOTJSA-N 1 3 357.542 2.881 20 0 FFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCN(c3cc[nH+]c(C)c3)CC1)C2 ZINC001255212413 1041201698 /nfs/dbraw/zinc/20/16/98/1041201698.db2.gz JBOHNDJHGFJVDC-BWTSREIZSA-N 1 3 358.486 2.664 20 0 FFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCN(c3cc[nH+]c(C)c3)CC1)C2 ZINC001255212414 1041204846 /nfs/dbraw/zinc/20/48/46/1041204846.db2.gz JBOHNDJHGFJVDC-REPLKXPHSA-N 1 3 358.486 2.664 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001255351357 1041283317 /nfs/dbraw/zinc/28/33/17/1041283317.db2.gz XGHMHWBLDZXNFK-MJGOQNOKSA-N 1 3 352.519 2.589 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cccc(Br)c1)CC2 ZINC001278589371 1041290752 /nfs/dbraw/zinc/29/07/52/1041290752.db2.gz IMEZBJHGCBTVQO-UHFFFAOYSA-N 1 3 366.347 2.909 20 0 FFADHO O[C@@H](COc1cccc(F)c1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001250800553 1041370662 /nfs/dbraw/zinc/37/06/62/1041370662.db2.gz FVNNXTCPMQBCEO-SVFBPWRDSA-N 1 3 370.468 2.629 20 0 FFADHO O[C@@H](COc1cccc(F)c1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001250800553 1041370671 /nfs/dbraw/zinc/37/06/71/1041370671.db2.gz FVNNXTCPMQBCEO-SVFBPWRDSA-N 1 3 370.468 2.629 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001214998393 1041640058 /nfs/dbraw/zinc/64/00/58/1041640058.db2.gz WJHCCEAQXRJUPM-OWCLPIDISA-N 1 3 359.505 2.979 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001215567616 1041829165 /nfs/dbraw/zinc/82/91/65/1041829165.db2.gz AHFHVXQIPBIOCP-OWCLPIDISA-N 1 3 359.505 2.836 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215563799 1041829311 /nfs/dbraw/zinc/82/93/11/1041829311.db2.gz PVLBHMOSOMYOQE-CXAGYDPISA-N 1 3 366.575 2.674 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cncc(F)c2)C1)C(C)C ZINC001215977759 1041921845 /nfs/dbraw/zinc/92/18/45/1041921845.db2.gz RONFRHJPMJXZJL-ATZDWAIDSA-N 1 3 364.509 2.524 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1 ZINC001215993867 1041925119 /nfs/dbraw/zinc/92/51/19/1041925119.db2.gz FZJUGATXMHHTPF-OXQOHEQNSA-N 1 3 360.546 2.792 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCc1ccc(F)cc1F ZINC001216463875 1042032737 /nfs/dbraw/zinc/03/27/37/1042032737.db2.gz KBFRLDOBYRAPSJ-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001263120405 1042115279 /nfs/dbraw/zinc/11/52/79/1042115279.db2.gz AKSRBINAGHSHKN-LPHOPBHVSA-N 1 3 356.514 2.503 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216843121 1042141538 /nfs/dbraw/zinc/14/15/38/1042141538.db2.gz WXXZPSZANGKCTH-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CC[C@@H](C)N1CCN(c2nnc([C@@H]3CCC[N@H+](C)C3)n2CC(C)C)CC1 ZINC001263404181 1042285848 /nfs/dbraw/zinc/28/58/48/1042285848.db2.gz ANSXPROSVYKMMP-QZTJIDSGSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@@H](C)N1CCN(c2nnc([C@@H]3CCC[N@@H+](C)C3)n2CC(C)C)CC1 ZINC001263404181 1042285853 /nfs/dbraw/zinc/28/58/53/1042285853.db2.gz ANSXPROSVYKMMP-QZTJIDSGSA-N 1 3 362.566 2.664 20 0 FFADHO C[C@H]1CCN(C(=O)c2ccc(CC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000382752639 1042441922 /nfs/dbraw/zinc/44/19/22/1042441922.db2.gz CZBQUJLOSIUFIR-SFHVURJKSA-N 1 3 351.494 2.924 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001263927546 1042537627 /nfs/dbraw/zinc/53/76/27/1042537627.db2.gz JSFFNNQFXFIQQC-PKOBYXMFSA-N 1 3 354.498 2.952 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1)N(C)C ZINC001263928028 1042538493 /nfs/dbraw/zinc/53/84/93/1042538493.db2.gz RXWOSPMBZUSWDT-YJLNNSPDSA-N 1 3 367.484 2.926 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccns2)C1)CC(C)(C)C ZINC001264478898 1042689593 /nfs/dbraw/zinc/68/95/93/1042689593.db2.gz UHJARQDRUIKHDU-JKSUJKDBSA-N 1 3 366.575 2.538 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001264658043 1042774527 /nfs/dbraw/zinc/77/45/27/1042774527.db2.gz AYBWFEOPEBDQIR-DYXWJJEUSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001264658043 1042774530 /nfs/dbraw/zinc/77/45/30/1042774530.db2.gz AYBWFEOPEBDQIR-DYXWJJEUSA-N 1 3 355.526 2.794 20 0 FFADHO COc1c(F)ccc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1F ZINC001279143260 1042917382 /nfs/dbraw/zinc/91/73/82/1042917382.db2.gz QOYMXKGIAULPCJ-HXUWFJFHSA-N 1 3 367.484 2.823 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]2CC1 ZINC001279334152 1043008913 /nfs/dbraw/zinc/00/89/13/1043008913.db2.gz FTDADMXIRSXXRG-OKILXGFUSA-N 1 3 355.935 2.634 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]2CC1 ZINC001279334152 1043008918 /nfs/dbraw/zinc/00/89/18/1043008918.db2.gz FTDADMXIRSXXRG-OKILXGFUSA-N 1 3 355.935 2.634 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc(F)nc4)C[C@H]3CC2)[nH]1 ZINC001279410052 1043072039 /nfs/dbraw/zinc/07/20/39/1043072039.db2.gz CQAKKUGTLIUCMY-CALCHBBNSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccc(F)nc4)C[C@H]3CC2)[nH]1 ZINC001279410052 1043072051 /nfs/dbraw/zinc/07/20/51/1043072051.db2.gz CQAKKUGTLIUCMY-CALCHBBNSA-N 1 3 356.445 2.665 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3cncc([O-])c3)C[C@H]2CC1 ZINC001279459990 1043141393 /nfs/dbraw/zinc/14/13/93/1043141393.db2.gz FGGNNCHXCAXSMJ-CALCHBBNSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cncc([O-])c3)C[C@H]2CC1 ZINC001279459990 1043141399 /nfs/dbraw/zinc/14/13/99/1043141399.db2.gz FGGNNCHXCAXSMJ-CALCHBBNSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cncc([O-])c3)C[C@H]2CC1 ZINC001279459990 1043141403 /nfs/dbraw/zinc/14/14/03/1043141403.db2.gz FGGNNCHXCAXSMJ-CALCHBBNSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cncc([O-])c3)C[C@H]2CC1 ZINC001279459990 1043141410 /nfs/dbraw/zinc/14/14/10/1043141410.db2.gz FGGNNCHXCAXSMJ-CALCHBBNSA-N 1 3 358.511 2.896 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc(Cl)c(CC)c2)CCC12C[NH2+]C2 ZINC001237428517 1043152805 /nfs/dbraw/zinc/15/28/05/1043152805.db2.gz ARAKHMPWZUFAQD-MRXNPFEDSA-N 1 3 350.890 2.877 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cc(C(F)(F)F)ccc2C)CCC12C[NH2+]C2 ZINC001237429787 1043154523 /nfs/dbraw/zinc/15/45/23/1043154523.db2.gz KAIXWLHIEZVYBE-MRXNPFEDSA-N 1 3 370.415 2.988 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc3ccnc(Cl)c3c2)CCC12C[NH2+]C2 ZINC001237429167 1043155216 /nfs/dbraw/zinc/15/52/16/1043155216.db2.gz DMBJVMZGIGLMOL-QGZVFWFLSA-N 1 3 373.884 2.863 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cc(C)ccc2C(F)(F)F)CCC12C[NH2+]C2 ZINC001237432194 1043157771 /nfs/dbraw/zinc/15/77/71/1043157771.db2.gz WOBGTXNEXKRDMH-MRXNPFEDSA-N 1 3 370.415 2.988 20 0 FFADHO COC(=O)c1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001237436719 1043161710 /nfs/dbraw/zinc/16/17/10/1043161710.db2.gz LDUBHGFKSITHCX-UHFFFAOYSA-N 1 3 369.465 2.949 20 0 FFADHO COC(=O)c1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001237436719 1043161713 /nfs/dbraw/zinc/16/17/13/1043161713.db2.gz LDUBHGFKSITHCX-UHFFFAOYSA-N 1 3 369.465 2.949 20 0 FFADHO Nc1ncc(CN2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)cn1 ZINC001279532140 1043231156 /nfs/dbraw/zinc/23/11/56/1043231156.db2.gz YJYYWGVVPXSGKI-UHFFFAOYSA-N 1 3 357.424 2.689 20 0 FFADHO Nc1ncc(CN2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)cn1 ZINC001279532140 1043231162 /nfs/dbraw/zinc/23/11/62/1043231162.db2.gz YJYYWGVVPXSGKI-UHFFFAOYSA-N 1 3 357.424 2.689 20 0 FFADHO Cc1noc(C)c1CN1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279572449 1043276756 /nfs/dbraw/zinc/27/67/56/1043276756.db2.gz JORWICFYUNMZOQ-UHFFFAOYSA-N 1 3 357.502 2.866 20 0 FFADHO Cc1noc(C)c1CN1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279572449 1043276763 /nfs/dbraw/zinc/27/67/63/1043276763.db2.gz JORWICFYUNMZOQ-UHFFFAOYSA-N 1 3 357.502 2.866 20 0 FFADHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3ccc(C(F)(F)F)o3)(C1)CCC2 ZINC001279602329 1043321960 /nfs/dbraw/zinc/32/19/60/1043321960.db2.gz DIVFOCYMBBHVOU-SJORKVTESA-N 1 3 373.419 2.911 20 0 FFADHO CC(C)C1=[NH+]CCc2ccc(CN3CCN(CCC(C)(C)O)CC3)cc21 ZINC001237888271 1043417185 /nfs/dbraw/zinc/41/71/85/1043417185.db2.gz BMOLMYHHUVNLNC-UHFFFAOYSA-N 1 3 357.542 2.966 20 0 FFADHO C[N@@H+]1CCCC2(CCN(Cc3ccc(F)c(N4CCOCC4)c3)CC2)C1 ZINC001279663484 1043423555 /nfs/dbraw/zinc/42/35/55/1043423555.db2.gz SADDIPLNXRIHEN-UHFFFAOYSA-N 1 3 361.505 2.970 20 0 FFADHO C[N@H+]1CCCC2(CCN(Cc3ccc(F)c(N4CCOCC4)c3)CC2)C1 ZINC001279663484 1043423564 /nfs/dbraw/zinc/42/35/64/1043423564.db2.gz SADDIPLNXRIHEN-UHFFFAOYSA-N 1 3 361.505 2.970 20 0 FFADHO CCCCc1nc(Cl)c(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)[nH]1 ZINC001279683377 1043462437 /nfs/dbraw/zinc/46/24/37/1043462437.db2.gz VFWARUCMWPCRNQ-UHFFFAOYSA-N 1 3 367.969 2.865 20 0 FFADHO COC(=O)CCCCCCCCCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001278227757 1043681943 /nfs/dbraw/zinc/68/19/43/1043681943.db2.gz ZXGVGIAOLAIOLD-UHFFFAOYSA-N 1 3 353.551 2.602 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(CC)[C@H]2CC[N@H+](CC)C2)N(C)C)cc1 ZINC001311570128 1043939789 /nfs/dbraw/zinc/93/97/89/1043939789.db2.gz DYABIEJFTXSDDW-PMACEKPBSA-N 1 3 360.546 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)N(C)C)cc1 ZINC001311570128 1043939796 /nfs/dbraw/zinc/93/97/96/1043939796.db2.gz DYABIEJFTXSDDW-PMACEKPBSA-N 1 3 360.546 2.977 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(CCc1cc(F)c(F)cc1F)CC2 ZINC001278287752 1043992378 /nfs/dbraw/zinc/99/23/78/1043992378.db2.gz RMVGVULITLSQEA-UHFFFAOYSA-N 1 3 369.475 2.996 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(CCc1cc(F)c(F)cc1F)CC2 ZINC001278287752 1043992389 /nfs/dbraw/zinc/99/23/89/1043992389.db2.gz RMVGVULITLSQEA-UHFFFAOYSA-N 1 3 369.475 2.996 20 0 FFADHO CN(C)CCN(C(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC001239308290 1044096935 /nfs/dbraw/zinc/09/69/35/1044096935.db2.gz WZECPHDIXCMFQJ-HNNXBMFYSA-N 1 3 369.307 2.597 20 0 FFADHO Cc1ncsc1CN1CCCC2(CC[NH+](C[C@H]3COCCO3)CC2)C1 ZINC001280029175 1044105212 /nfs/dbraw/zinc/10/52/12/1044105212.db2.gz UORBTBNVAHDXIY-KRWDZBQOSA-N 1 3 365.543 2.545 20 0 FFADHO C[NH+]1CCC(CCN2CC[C@H]3C[C@]32C(=O)NC2CCC(F)CC2)CC1 ZINC001280140897 1044285518 /nfs/dbraw/zinc/28/55/18/1044285518.db2.gz NVJSYIQSRPDDTI-USWSCHJFSA-N 1 3 351.510 2.580 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(CCC(=O)c1ccc(F)cc1)C2 ZINC001280175065 1044350044 /nfs/dbraw/zinc/35/00/44/1044350044.db2.gz JAMNWMCCVJRWSK-NRFANRHFSA-N 1 3 361.505 2.748 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001313867914 1044433963 /nfs/dbraw/zinc/43/39/63/1044433963.db2.gz UFTJQFBWVOSUDW-HOTGVXAUSA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001313867914 1044433969 /nfs/dbraw/zinc/43/39/69/1044433969.db2.gz UFTJQFBWVOSUDW-HOTGVXAUSA-N 1 3 360.550 2.559 20 0 FFADHO CC[NH+]1CCC(CN2CC[C@H]3C[C@]32C(=O)NC2CCC(F)CC2)CC1 ZINC001280250902 1044473636 /nfs/dbraw/zinc/47/36/36/1044473636.db2.gz SQHJABRBWVWTLE-USWSCHJFSA-N 1 3 351.510 2.580 20 0 FFADHO O=c1cccc(CN2CCC3(C2)CC[NH+](CCCn2cccc2)CC3)[nH]1 ZINC001280270916 1044510077 /nfs/dbraw/zinc/51/00/77/1044510077.db2.gz MAFVSYFVVKOBCG-UHFFFAOYSA-N 1 3 354.498 2.967 20 0 FFADHO Cc1ccc(F)c(CNCC2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCC2)c1 ZINC001318635926 1044781327 /nfs/dbraw/zinc/78/13/27/1044781327.db2.gz IJRQXZFSFYUFRD-SJLPKXTDSA-N 1 3 361.505 2.993 20 0 FFADHO Cc1ccc(F)c(CNCC2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCC2)c1 ZINC001318635926 1044781337 /nfs/dbraw/zinc/78/13/37/1044781337.db2.gz IJRQXZFSFYUFRD-SJLPKXTDSA-N 1 3 361.505 2.993 20 0 FFADHO Clc1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1N1CCOCC1 ZINC001242887812 1044818192 /nfs/dbraw/zinc/81/81/92/1044818192.db2.gz NEJKANFIGSYVSB-UHFFFAOYSA-N 1 3 358.873 2.648 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOc2cc(C)ccc2C)[C@@H]1C ZINC001316794147 1044998900 /nfs/dbraw/zinc/99/89/00/1044998900.db2.gz JBCUDXJMKHIDHQ-MOPGFXCFSA-N 1 3 361.530 2.603 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOc2cc(C)ccc2C)[C@@H]1C ZINC001316794147 1044998905 /nfs/dbraw/zinc/99/89/05/1044998905.db2.gz JBCUDXJMKHIDHQ-MOPGFXCFSA-N 1 3 361.530 2.603 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C12CCC2 ZINC001319951965 1045311421 /nfs/dbraw/zinc/31/14/21/1045311421.db2.gz VAERPMDBHBUVBK-LEWJYISDSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@H](CN(C)Cc1cccc(C(F)F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322161509 1045973940 /nfs/dbraw/zinc/97/39/40/1045973940.db2.gz VOBDHYASSZAJBF-CKEIUWERSA-N 1 3 353.457 2.901 20 0 FFADHO C[C@H](CN(C)Cc1cccc(C(F)F)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001322161509 1045973951 /nfs/dbraw/zinc/97/39/51/1045973951.db2.gz VOBDHYASSZAJBF-CKEIUWERSA-N 1 3 353.457 2.901 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001322740298 1046206286 /nfs/dbraw/zinc/20/62/86/1046206286.db2.gz IYXNHMYOHQFKKN-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCCC2(CC[NH2+]CC2)C1)N(C)Cc1ccccc1 ZINC001325667118 1046602871 /nfs/dbraw/zinc/60/28/71/1046602871.db2.gz QNGOKNICTRLQRD-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC001326357007 1046896811 /nfs/dbraw/zinc/89/68/11/1046896811.db2.gz SDSIWHBDWKQNQI-HXUWFJFHSA-N 1 3 352.482 2.857 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326584781 1046988826 /nfs/dbraw/zinc/98/88/26/1046988826.db2.gz ZHMZERVOJFYPCH-UHFFFAOYSA-N 1 3 359.514 2.557 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cccc3c2NCCC3)C1 ZINC001331566348 1048010544 /nfs/dbraw/zinc/01/05/44/1048010544.db2.gz ORSDSCVDJQVVDM-OAQYLSRUSA-N 1 3 351.494 2.901 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cccc3c2NCCC3)C1 ZINC001331566348 1048010551 /nfs/dbraw/zinc/01/05/51/1048010551.db2.gz ORSDSCVDJQVVDM-OAQYLSRUSA-N 1 3 351.494 2.901 20 0 FFADHO N[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC001332077127 1048236579 /nfs/dbraw/zinc/23/65/79/1048236579.db2.gz NDCUIWBIPCEOHC-UXHICEINSA-N 1 3 356.514 2.817 20 0 FFADHO N[C@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC001332077127 1048236589 /nfs/dbraw/zinc/23/65/89/1048236589.db2.gz NDCUIWBIPCEOHC-UXHICEINSA-N 1 3 356.514 2.817 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)cc2)CC1 ZINC001329237660 1048629365 /nfs/dbraw/zinc/62/93/65/1048629365.db2.gz ZJFWNDDFEVDIHE-NRFANRHFSA-N 1 3 364.493 2.654 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCN3CCc4ccccc4C3)C[N@@H+]2C1 ZINC001540850815 1071019556 /nfs/dbraw/zinc/01/95/56/1071019556.db2.gz MUYIWVMVEARILC-UIFIKXQLSA-N 1 3 355.526 2.671 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCN3CCc4ccccc4C3)C[N@H+]2C1 ZINC001540850815 1071019574 /nfs/dbraw/zinc/01/95/74/1071019574.db2.gz MUYIWVMVEARILC-UIFIKXQLSA-N 1 3 355.526 2.671 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC3(N4CCSCC4)CCCC3)C[N@@H+]2C1 ZINC001540956927 1071036715 /nfs/dbraw/zinc/03/67/15/1071036715.db2.gz WADWPDXZQSKXIM-FGTMMUONSA-N 1 3 365.587 2.585 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC3(N4CCSCC4)CCCC3)C[N@H+]2C1 ZINC001540956927 1071036719 /nfs/dbraw/zinc/03/67/19/1071036719.db2.gz WADWPDXZQSKXIM-FGTMMUONSA-N 1 3 365.587 2.585 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)N(C)C)cc1 ZINC001333698283 1049062706 /nfs/dbraw/zinc/06/27/06/1049062706.db2.gz UXIMABCJKLEVEX-BQJUDKOJSA-N 1 3 372.557 2.969 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001333769669 1049110237 /nfs/dbraw/zinc/11/02/37/1049110237.db2.gz PKSFDNWLPFNVOF-INIZCTEOSA-N 1 3 364.921 2.910 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccns2)C1)N1CCCCC1 ZINC001316650340 1049203450 /nfs/dbraw/zinc/20/34/50/1049203450.db2.gz VULUVGPZRZRLPM-JKSUJKDBSA-N 1 3 364.559 2.782 20 0 FFADHO C[C@@]1(CO)CCCN(C[C@H](C[N@@H+]2CCC[C@](C)(CO)C2)C2CCCC2)C1 ZINC001330661068 1049257469 /nfs/dbraw/zinc/25/74/69/1049257469.db2.gz KMVNSRNXQWHGOM-DKUWSORSSA-N 1 3 366.590 2.982 20 0 FFADHO C[C@@]1(CO)CCCN(C[C@H](C[N@H+]2CCC[C@](C)(CO)C2)C2CCCC2)C1 ZINC001330661068 1049257483 /nfs/dbraw/zinc/25/74/83/1049257483.db2.gz KMVNSRNXQWHGOM-DKUWSORSSA-N 1 3 366.590 2.982 20 0 FFADHO C[C@@]1(CO)CCC[N@@H+](C[C@H](CN2CCC[C@](C)(CO)C2)C2CCCC2)C1 ZINC001330661068 1049257495 /nfs/dbraw/zinc/25/74/95/1049257495.db2.gz KMVNSRNXQWHGOM-DKUWSORSSA-N 1 3 366.590 2.982 20 0 FFADHO C[C@@]1(CO)CCC[N@H+](C[C@H](CN2CCC[C@](C)(CO)C2)C2CCCC2)C1 ZINC001330661068 1049257504 /nfs/dbraw/zinc/25/75/04/1049257504.db2.gz KMVNSRNXQWHGOM-DKUWSORSSA-N 1 3 366.590 2.982 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC001293470694 1049561516 /nfs/dbraw/zinc/56/15/16/1049561516.db2.gz OWEIOTBUAAVDGU-BWAGFHJFSA-N 1 3 365.521 2.969 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC001293470694 1049561530 /nfs/dbraw/zinc/56/15/30/1049561530.db2.gz OWEIOTBUAAVDGU-BWAGFHJFSA-N 1 3 365.521 2.969 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001296085462 1050021122 /nfs/dbraw/zinc/02/11/22/1050021122.db2.gz TXYRTPHOGGLOAL-IBGZPJMESA-N 1 3 374.577 2.808 20 0 FFADHO CC[N@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001296085462 1050021129 /nfs/dbraw/zinc/02/11/29/1050021129.db2.gz TXYRTPHOGGLOAL-IBGZPJMESA-N 1 3 374.577 2.808 20 0 FFADHO CC(C)CN(C(=O)COc1ccc(CCC[NH3+])cc1)C1CCN(C)CC1 ZINC001341704189 1050324649 /nfs/dbraw/zinc/32/46/49/1050324649.db2.gz SHKHOUNDRQRUTI-UHFFFAOYSA-N 1 3 361.530 2.536 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001340017108 1050429485 /nfs/dbraw/zinc/42/94/85/1050429485.db2.gz ABRJGZLVXQXYER-WOJBJXKFSA-N 1 3 355.526 2.937 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001342640543 1051246655 /nfs/dbraw/zinc/24/66/55/1051246655.db2.gz VWMAOWCYFLMWEX-BTHPGYMESA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001341001285 1051337226 /nfs/dbraw/zinc/33/72/26/1051337226.db2.gz ZSNXDPUHDVYGCP-SFHVURJKSA-N 1 3 355.486 2.841 20 0 FFADHO [NH3+][C@@H]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC001342739284 1051355543 /nfs/dbraw/zinc/35/55/43/1051355543.db2.gz UAOQEXNDUXZOAH-JZXOWHBKSA-N 1 3 369.431 2.685 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342758638 1051374588 /nfs/dbraw/zinc/37/45/88/1051374588.db2.gz RECCBPQRFUHZMB-LZLYRXPVSA-N 1 3 359.514 2.520 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC001308936635 1052522143 /nfs/dbraw/zinc/52/21/43/1052522143.db2.gz PYJKWPOICZRHFJ-FYRZTWFESA-N 1 3 350.425 2.719 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC001308936637 1052522195 /nfs/dbraw/zinc/52/21/95/1052522195.db2.gz PYJKWPOICZRHFJ-LVDPKSTMSA-N 1 3 350.425 2.719 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001346104629 1052749962 /nfs/dbraw/zinc/74/99/62/1052749962.db2.gz CCJYGGMZVPMHOO-SXLOBPIMSA-N 1 3 361.505 2.900 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+])c1ccsc1 ZINC001335929124 1053650267 /nfs/dbraw/zinc/65/02/67/1053650267.db2.gz IGYIXIUWTREWLQ-JFIYKMOQSA-N 1 3 350.532 2.654 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@]12CC[NH2+]C2)c1ccsc1 ZINC001336726133 1054170468 /nfs/dbraw/zinc/17/04/68/1054170468.db2.gz HIKUTSJZZZPCDY-AEFFLSMTSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]CCC(=O)Nc2cccc(F)c2)C[C@H](C)O1 ZINC001336738946 1054181809 /nfs/dbraw/zinc/18/18/09/1054181809.db2.gz JFMWWOKKCHUWDA-HOTGVXAUSA-N 1 3 351.466 2.633 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3n[nH]c4ccccc43)CC2)CC1 ZINC000847321042 1055486583 /nfs/dbraw/zinc/48/65/83/1055486583.db2.gz MLWJXNAJQWRAGJ-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO CN(C)Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1C(F)(F)F ZINC001349927312 1055543599 /nfs/dbraw/zinc/54/35/99/1055543599.db2.gz JAAFZNMZQRZOLB-UHFFFAOYSA-N 1 3 372.416 2.977 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CC[N@@H+](C(C)(C)C)C3)c2cc1C ZINC001356609542 1055612372 /nfs/dbraw/zinc/61/23/72/1055612372.db2.gz AOTJDBZPVBONSS-MSOLQXFVSA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CC[N@H+](C(C)(C)C)C3)c2cc1C ZINC001356609542 1055612377 /nfs/dbraw/zinc/61/23/77/1055612377.db2.gz AOTJDBZPVBONSS-MSOLQXFVSA-N 1 3 358.530 2.724 20 0 FFADHO C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCC(C)CC1 ZINC000849067655 1055622752 /nfs/dbraw/zinc/62/27/52/1055622752.db2.gz SUHPKZRFQTYXHA-KRWDZBQOSA-N 1 3 361.509 2.592 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC001353313944 1056290190 /nfs/dbraw/zinc/29/01/90/1056290190.db2.gz DSIRLOYJBIDWNS-RDJZCZTQSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC001353313944 1056290203 /nfs/dbraw/zinc/29/02/03/1056290203.db2.gz DSIRLOYJBIDWNS-RDJZCZTQSA-N 1 3 354.922 2.928 20 0 FFADHO O=C(c1ccc2c(c1)OCCNC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001353534869 1056508775 /nfs/dbraw/zinc/50/87/75/1056508775.db2.gz KTQKCUSFVDFLML-GOSISDBHSA-N 1 3 371.525 2.897 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CCC34CCC4)c(C)c2)CC1 ZINC001353581589 1056552104 /nfs/dbraw/zinc/55/21/04/1056552104.db2.gz KWVJMDRJNYDOKA-LJQANCHMSA-N 1 3 370.541 2.855 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001513031329 1058172924 /nfs/dbraw/zinc/17/29/24/1058172924.db2.gz GPOJHQNHGMUFBB-IRXDYDNUSA-N 1 3 362.566 2.806 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001444924891 1058345535 /nfs/dbraw/zinc/34/55/35/1058345535.db2.gz RCBVGZKKANTBRF-NRFANRHFSA-N 1 3 371.525 2.989 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001444924891 1058345558 /nfs/dbraw/zinc/34/55/58/1058345558.db2.gz RCBVGZKKANTBRF-NRFANRHFSA-N 1 3 371.525 2.989 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccncc2)CC2(CCC2)C1 ZINC001453211952 1059346782 /nfs/dbraw/zinc/34/67/82/1059346782.db2.gz QBXGGLFXBACDCM-SFHVURJKSA-N 1 3 372.557 2.672 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccncc2)CC2(CCC2)C1 ZINC001453211952 1059346801 /nfs/dbraw/zinc/34/68/01/1059346801.db2.gz QBXGGLFXBACDCM-SFHVURJKSA-N 1 3 372.557 2.672 20 0 FFADHO CCC[N@@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)C1 ZINC001547172688 1071927888 /nfs/dbraw/zinc/92/78/88/1071927888.db2.gz AIDFJCGEBMCOBI-KSZLIROESA-N 1 3 374.577 2.806 20 0 FFADHO CCC[N@H+]1CC[C@H](Cn2c(C3CC3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)C1 ZINC001547172688 1071927893 /nfs/dbraw/zinc/92/78/93/1071927893.db2.gz AIDFJCGEBMCOBI-KSZLIROESA-N 1 3 374.577 2.806 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001456796784 1060199541 /nfs/dbraw/zinc/19/95/41/1060199541.db2.gz KFILEJAATXUFQB-WOJBJXKFSA-N 1 3 355.526 2.889 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001456796784 1060199547 /nfs/dbraw/zinc/19/95/47/1060199547.db2.gz KFILEJAATXUFQB-WOJBJXKFSA-N 1 3 355.526 2.889 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2C[C@H]2CC[N@H+](CC)C2)C[C@@H]1C ZINC001547659653 1071983036 /nfs/dbraw/zinc/98/30/36/1071983036.db2.gz DRVUMZKHBKNUPD-BZSNNMDCSA-N 1 3 362.566 2.662 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2C[C@H]2CC[N@@H+](CC)C2)C[C@@H]1C ZINC001547659653 1071983044 /nfs/dbraw/zinc/98/30/44/1071983044.db2.gz DRVUMZKHBKNUPD-BZSNNMDCSA-N 1 3 362.566 2.662 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001461323635 1061288519 /nfs/dbraw/zinc/28/85/19/1061288519.db2.gz GFYGDHFDNYVLKN-MLGOLLRUSA-N 1 3 367.440 2.642 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCN1C ZINC001477236516 1061640092 /nfs/dbraw/zinc/64/00/92/1061640092.db2.gz VYQRQYGASNPDAQ-YLJYHZDGSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC001477926160 1061839879 /nfs/dbraw/zinc/83/98/79/1061839879.db2.gz GRWUHWDRHVSGKM-MRXNPFEDSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@]1(C)CCCc2ccccc21 ZINC001478957093 1062162519 /nfs/dbraw/zinc/16/25/19/1062162519.db2.gz MQJXCUPICHJMOO-UWJYYQICSA-N 1 3 360.546 2.809 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@]1(C)CCCc2ccccc21 ZINC001478957093 1062162523 /nfs/dbraw/zinc/16/25/23/1062162523.db2.gz MQJXCUPICHJMOO-UWJYYQICSA-N 1 3 360.546 2.809 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001479156276 1062253913 /nfs/dbraw/zinc/25/39/13/1062253913.db2.gz DZBRNTHCSFMYDU-RTWAWAEBSA-N 1 3 372.557 2.943 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001479156274 1062254845 /nfs/dbraw/zinc/25/48/45/1062254845.db2.gz DZBRNTHCSFMYDU-NHCUHLMSSA-N 1 3 372.557 2.943 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCc1ccccc1F)N(C)C ZINC001479572813 1062563020 /nfs/dbraw/zinc/56/30/20/1062563020.db2.gz UCANHIBKGQXYLE-KPFFTGBYSA-N 1 3 363.521 2.925 20 0 FFADHO C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](CNCc2cncs2)C1 ZINC001479587250 1062588374 /nfs/dbraw/zinc/58/83/74/1062588374.db2.gz ZYQLBSDADDTXTL-SJORKVTESA-N 1 3 364.559 2.736 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1CCc1ccns1 ZINC001479637315 1062675240 /nfs/dbraw/zinc/67/52/40/1062675240.db2.gz NRUSCYQOKLNJMN-RYQLBKOJSA-N 1 3 364.559 2.529 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CCN1CCc1ccns1 ZINC001479637315 1062675251 /nfs/dbraw/zinc/67/52/51/1062675251.db2.gz NRUSCYQOKLNJMN-RYQLBKOJSA-N 1 3 364.559 2.529 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001465088982 1062973689 /nfs/dbraw/zinc/97/36/89/1062973689.db2.gz QLSPVXFZWPHQCU-ZWKOTPCHSA-N 1 3 365.587 2.871 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001465088982 1062973709 /nfs/dbraw/zinc/97/37/09/1062973709.db2.gz QLSPVXFZWPHQCU-ZWKOTPCHSA-N 1 3 365.587 2.871 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cnc(C)s3)CCCC2)CC[N@@H+]1C ZINC001495914653 1063558176 /nfs/dbraw/zinc/55/81/76/1063558176.db2.gz IVTWHEHSGRHEEC-DLBZAZTESA-N 1 3 364.559 2.700 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cnc(C)s3)CCCC2)CC[N@H+]1C ZINC001495914653 1063558198 /nfs/dbraw/zinc/55/81/98/1063558198.db2.gz IVTWHEHSGRHEEC-DLBZAZTESA-N 1 3 364.559 2.700 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC001468027952 1063914454 /nfs/dbraw/zinc/91/44/54/1063914454.db2.gz ICDVHLQMYGZNHS-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC001470782418 1064451393 /nfs/dbraw/zinc/45/13/93/1064451393.db2.gz CGIJJKMHFBGDJJ-DAWZGUTISA-N 1 3 350.551 2.765 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC001470782418 1064451400 /nfs/dbraw/zinc/45/14/00/1064451400.db2.gz CGIJJKMHFBGDJJ-DAWZGUTISA-N 1 3 350.551 2.765 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC001471490569 1064693324 /nfs/dbraw/zinc/69/33/24/1064693324.db2.gz XMJPDFNFUBKWDP-GOSISDBHSA-N 1 3 358.530 2.554 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001471490569 1064693330 /nfs/dbraw/zinc/69/33/30/1064693330.db2.gz XMJPDFNFUBKWDP-GOSISDBHSA-N 1 3 358.530 2.554 20 0 FFADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2C[C@H]2CC2(C)C)CC1 ZINC001575598957 1078156017 /nfs/dbraw/zinc/15/60/17/1078156017.db2.gz AFJSEINERGMKNB-QZTJIDSGSA-N 1 3 374.577 2.569 20 0 FFADHO CC(C)C[NH2+]CC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001575606285 1078156527 /nfs/dbraw/zinc/15/65/27/1078156527.db2.gz QVPQBXSTJHMTFH-GOSISDBHSA-N 1 3 355.486 2.514 20 0 FFADHO CC(C)N(C)c1ccc(NC(=O)CCN(C)CC(C)(C)C[NH3+])cc1F ZINC001575689605 1078164604 /nfs/dbraw/zinc/16/46/04/1078164604.db2.gz RTAMCSWHSXESRL-UHFFFAOYSA-N 1 3 352.498 2.916 20 0 FFADHO CCOC(=O)CCCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001473142903 1065206372 /nfs/dbraw/zinc/20/63/72/1065206372.db2.gz BUAOAUAVWJKEGE-KDURUIRLSA-N 1 3 353.551 2.600 20 0 FFADHO CCOC(=O)CCCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001473142903 1065206382 /nfs/dbraw/zinc/20/63/82/1065206382.db2.gz BUAOAUAVWJKEGE-KDURUIRLSA-N 1 3 353.551 2.600 20 0 FFADHO C[C@@](CO)(Cc1ccc(Br)cc1)NC[C@H]1CCCC[NH2+]C1 ZINC001576037499 1078189168 /nfs/dbraw/zinc/18/91/68/1078189168.db2.gz QLTLKABPKXLWBP-RDJZCZTQSA-N 1 3 355.320 2.722 20 0 FFADHO CN(CCCOc1ccccc1)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001473704895 1065326697 /nfs/dbraw/zinc/32/66/97/1065326697.db2.gz WUDLHWWUFXETMM-UHFFFAOYSA-N 1 3 373.541 2.722 20 0 FFADHO O=C1OCC[C@]12CC[N@H+](CCCN1CCC(Cc3ccccc3)CC1)C2 ZINC001473899312 1065410834 /nfs/dbraw/zinc/41/08/34/1065410834.db2.gz LDXHZRLXAUCYBC-QFIPXVFZSA-N 1 3 356.510 2.970 20 0 FFADHO O=C1OCC[C@]12CC[N@@H+](CCCN1CCC(Cc3ccccc3)CC1)C2 ZINC001473899312 1065410839 /nfs/dbraw/zinc/41/08/39/1065410839.db2.gz LDXHZRLXAUCYBC-QFIPXVFZSA-N 1 3 356.510 2.970 20 0 FFADHO OC[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001474438982 1065522094 /nfs/dbraw/zinc/52/20/94/1065522094.db2.gz OGEPXHGJQJTJRJ-CBPXPLCBSA-N 1 3 366.505 2.938 20 0 FFADHO OC[C@@H](Cc1ccc(O)cc1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001474438982 1065522098 /nfs/dbraw/zinc/52/20/98/1065522098.db2.gz OGEPXHGJQJTJRJ-CBPXPLCBSA-N 1 3 366.505 2.938 20 0 FFADHO OC[C@@H](Cc1ccc(O)cc1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001474438982 1065522107 /nfs/dbraw/zinc/52/21/07/1065522107.db2.gz OGEPXHGJQJTJRJ-CBPXPLCBSA-N 1 3 366.505 2.938 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC001474465148 1065528754 /nfs/dbraw/zinc/52/87/54/1065528754.db2.gz ZHJKZAKOVFONJU-OAQYLSRUSA-N 1 3 361.574 2.968 20 0 FFADHO C[C@@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCCC2)C[C@H]1C ZINC001576740330 1078269048 /nfs/dbraw/zinc/26/90/48/1078269048.db2.gz IMVKNPDONMTPBH-KURKYZTESA-N 1 3 360.550 2.671 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001576809225 1078277277 /nfs/dbraw/zinc/27/72/77/1078277277.db2.gz QHOLJEDBIIMNMI-QWFCFKBJSA-N 1 3 358.530 2.810 20 0 FFADHO CC[C@@H](N)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001578221551 1078453041 /nfs/dbraw/zinc/45/30/41/1078453041.db2.gz DHSSQOOZHJNSRP-JKSUJKDBSA-N 1 3 357.420 2.637 20 0 FFADHO CC[C@@H](N)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001578221551 1078453042 /nfs/dbraw/zinc/45/30/42/1078453042.db2.gz DHSSQOOZHJNSRP-JKSUJKDBSA-N 1 3 357.420 2.637 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(Cc3ccc(F)cc3)CC2)cnn1C ZINC001579529126 1078639955 /nfs/dbraw/zinc/63/99/55/1078639955.db2.gz CXIJQCLVSZUAQA-IBGZPJMESA-N 1 3 358.505 2.940 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)cc1 ZINC001579691396 1078663677 /nfs/dbraw/zinc/66/36/77/1078663677.db2.gz ZQEMAXHPKIOCNX-VQTJNVASSA-N 1 3 355.457 2.567 20 0 FFADHO Fc1cccc([C@H]2CC[NH2+]C[C@H]2NC2CCN(Cc3ccccn3)CC2)c1 ZINC001580034767 1078734226 /nfs/dbraw/zinc/73/42/26/1078734226.db2.gz PRXRPGHATOFEQQ-FGZHOGPDSA-N 1 3 368.500 2.920 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC001580184387 1078761992 /nfs/dbraw/zinc/76/19/92/1078761992.db2.gz XFBPMVJGDPLNGR-PMACEKPBSA-N 1 3 359.514 2.880 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)C1 ZINC001580198062 1078763813 /nfs/dbraw/zinc/76/38/13/1078763813.db2.gz BZFZFDCVOXWREO-RXVVDRJESA-N 1 3 352.482 2.862 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC001580261627 1078776681 /nfs/dbraw/zinc/77/66/81/1078776681.db2.gz FFUHRVMYAFZFFQ-WFASDCNBSA-N 1 3 354.292 2.885 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1cccc(Br)c1 ZINC001580261627 1078776684 /nfs/dbraw/zinc/77/66/84/1078776684.db2.gz FFUHRVMYAFZFFQ-WFASDCNBSA-N 1 3 354.292 2.885 20 0 FFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC001580261624 1078776713 /nfs/dbraw/zinc/77/67/13/1078776713.db2.gz FFUHRVMYAFZFFQ-DOMZBBRYSA-N 1 3 354.292 2.885 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1cccc(Br)c1 ZINC001580261624 1078776716 /nfs/dbraw/zinc/77/67/16/1078776716.db2.gz FFUHRVMYAFZFFQ-DOMZBBRYSA-N 1 3 354.292 2.885 20 0 FFADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC001580744844 1078852736 /nfs/dbraw/zinc/85/27/36/1078852736.db2.gz AJWLCPFWWVTAFV-NHCUHLMSSA-N 1 3 370.541 2.792 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3cnn4c3CCCC4)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550353405 1074225524 /nfs/dbraw/zinc/22/55/24/1074225524.db2.gz LNIYLQZWEOTDDP-ZIKUCTJESA-N 1 3 360.546 2.740 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](N[C@H](C)c3cnn4c3CCCC4)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550353405 1074225527 /nfs/dbraw/zinc/22/55/27/1074225527.db2.gz LNIYLQZWEOTDDP-ZIKUCTJESA-N 1 3 360.546 2.740 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccnn1CC1CCC1)[C@@H](O)C2 ZINC001550521165 1074330856 /nfs/dbraw/zinc/33/08/56/1074330856.db2.gz AKHAPQIRZVQGHY-QCFFRYAUSA-N 1 3 360.546 2.814 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccnn1CC1CCC1)[C@@H](O)C2 ZINC001550521165 1074330861 /nfs/dbraw/zinc/33/08/61/1074330861.db2.gz AKHAPQIRZVQGHY-QCFFRYAUSA-N 1 3 360.546 2.814 20 0 FFADHO Cc1nc2ccccc2nc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550665057 1074425130 /nfs/dbraw/zinc/42/51/30/1074425130.db2.gz MSXUVNGWJRJECS-HZEGPAAWSA-N 1 3 354.498 2.508 20 0 FFADHO Cc1nc2ccccc2nc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550665057 1074425132 /nfs/dbraw/zinc/42/51/32/1074425132.db2.gz MSXUVNGWJRJECS-HZEGPAAWSA-N 1 3 354.498 2.508 20 0 FFADHO COc1nc2ccccc2cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550669631 1074428025 /nfs/dbraw/zinc/42/80/25/1074428025.db2.gz ZISOISQUUOYHMQ-AQCRLBJHSA-N 1 3 369.509 2.813 20 0 FFADHO COc1nc2ccccc2cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550669631 1074428032 /nfs/dbraw/zinc/42/80/32/1074428032.db2.gz ZISOISQUUOYHMQ-AQCRLBJHSA-N 1 3 369.509 2.813 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001551238385 1074658349 /nfs/dbraw/zinc/65/83/49/1074658349.db2.gz PJRIFHKRWNHDGZ-LVDPKSTMSA-N 1 3 350.425 2.719 20 0 FFADHO [NH3+][C@H]1CC12CCC(NC(=O)N1CCCN(Cc3ccccc3)CC1)CC2 ZINC001551567584 1074758673 /nfs/dbraw/zinc/75/86/73/1074758673.db2.gz FLHQENSMGSVLCE-SCCNAQOGSA-N 1 3 356.514 2.564 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552154182 1075005121 /nfs/dbraw/zinc/00/51/21/1075005121.db2.gz RNBCDYHVQCLCPA-DUXKGJEZSA-N 1 3 355.526 2.745 20 0 FFADHO CN(C(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001552156077 1075005425 /nfs/dbraw/zinc/00/54/25/1075005425.db2.gz ULPNFWHTFUTUKE-NJDAHSKKSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3C[C@@H]3C3CC[NH2+]CC3)c2)CC1 ZINC001552156635 1075005624 /nfs/dbraw/zinc/00/56/24/1075005624.db2.gz DZSJANOWQRWTJO-NHCUHLMSSA-N 1 3 370.541 2.791 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001552625282 1075113396 /nfs/dbraw/zinc/11/33/96/1075113396.db2.gz FTPFIPZZSGOPDJ-HKUYNNGSSA-N 1 3 368.481 2.634 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001553309046 1075279807 /nfs/dbraw/zinc/27/98/07/1075279807.db2.gz PBLKVRJKADAWFQ-HKUYNNGSSA-N 1 3 354.454 2.503 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001558589411 1076040834 /nfs/dbraw/zinc/04/08/34/1076040834.db2.gz UZAJJTRPAMFLIF-BGYRXZFFSA-N 1 3 373.541 2.610 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001558589411 1076040839 /nfs/dbraw/zinc/04/08/39/1076040839.db2.gz UZAJJTRPAMFLIF-BGYRXZFFSA-N 1 3 373.541 2.610 20 0 FFADHO CCN(C(=O)Nc1cccc(OCC[NH+](CC)CC)c1)[C@@H]1CCN(C)C1 ZINC001563381620 1076548704 /nfs/dbraw/zinc/54/87/04/1076548704.db2.gz NTWLFYCMTBHQHO-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC001563637897 1076571724 /nfs/dbraw/zinc/57/17/24/1076571724.db2.gz LRDZDRAWCLTLHV-PMACEKPBSA-N 1 3 360.546 2.977 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CC[N@@H+](C)C1 ZINC001563637897 1076571726 /nfs/dbraw/zinc/57/17/26/1076571726.db2.gz LRDZDRAWCLTLHV-PMACEKPBSA-N 1 3 360.546 2.977 20 0 FFADHO CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(C)C1 ZINC001563734631 1076579051 /nfs/dbraw/zinc/57/90/51/1076579051.db2.gz ISBPLULKUJCBEZ-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCCN(C)C2)[NH+]2CCCC2)cc1 ZINC001563830194 1076586102 /nfs/dbraw/zinc/58/61/02/1076586102.db2.gz DMEUMIFTRDNCCB-UXHICEINSA-N 1 3 358.530 2.868 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cc(O)ccc2Cl)C1 ZINC001565913135 1076798017 /nfs/dbraw/zinc/79/80/17/1076798017.db2.gz LMWYIXLFWWYAAB-GOEBONIOSA-N 1 3 367.921 2.762 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cc(O)ccc2Cl)C1 ZINC001565913135 1076798020 /nfs/dbraw/zinc/79/80/20/1076798020.db2.gz LMWYIXLFWWYAAB-GOEBONIOSA-N 1 3 367.921 2.762 20 0 FFADHO CCc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3nc[nH]c3C)C2)c1 ZINC001565915357 1076799718 /nfs/dbraw/zinc/79/97/18/1076799718.db2.gz QXOFXUKGQNWEBZ-RBUKOAKNSA-N 1 3 354.498 2.898 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001565953898 1076809182 /nfs/dbraw/zinc/80/91/82/1076809182.db2.gz JQLFJAUOQLVZDQ-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1CCOc1ccccc1 ZINC001566014403 1076849352 /nfs/dbraw/zinc/84/93/52/1076849352.db2.gz BMITXGDFHYJCBF-ZCNNSNEGSA-N 1 3 361.530 2.621 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1CCOc1ccccc1 ZINC001566014403 1076849357 /nfs/dbraw/zinc/84/93/57/1076849357.db2.gz BMITXGDFHYJCBF-ZCNNSNEGSA-N 1 3 361.530 2.621 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2c(C)cccc2Cl)CC[N@@H+]1C ZINC001569058389 1077126610 /nfs/dbraw/zinc/12/66/10/1077126610.db2.gz BYDZQIKRHCPVLN-RLFYNMQTSA-N 1 3 351.922 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2c(C)cccc2Cl)CC[N@H+]1C ZINC001569058389 1077126613 /nfs/dbraw/zinc/12/66/13/1077126613.db2.gz BYDZQIKRHCPVLN-RLFYNMQTSA-N 1 3 351.922 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3cnoc3C)CCCCC2)CC[N@@H+]1C ZINC001570796182 1077231439 /nfs/dbraw/zinc/23/14/39/1077231439.db2.gz HJLOXCSSJYMGGK-ZWKOTPCHSA-N 1 3 362.518 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3cnoc3C)CCCCC2)CC[N@H+]1C ZINC001570796182 1077231441 /nfs/dbraw/zinc/23/14/41/1077231441.db2.gz HJLOXCSSJYMGGK-ZWKOTPCHSA-N 1 3 362.518 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001571256801 1077245101 /nfs/dbraw/zinc/24/51/01/1077245101.db2.gz CHTUVIHQYZZXMG-BHYGNILZSA-N 1 3 366.937 2.840 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2cccc(Cl)n2)CC[N@H+]1C ZINC001571256801 1077245106 /nfs/dbraw/zinc/24/51/06/1077245106.db2.gz CHTUVIHQYZZXMG-BHYGNILZSA-N 1 3 366.937 2.840 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@@H+]4C3)cc2)CC1 ZINC001587259141 1079762971 /nfs/dbraw/zinc/76/29/71/1079762971.db2.gz GUJRWLSWZSQOIK-DBXWQHBBSA-N 1 3 370.541 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@H+]4C3)cc2)CC1 ZINC001587259141 1079762978 /nfs/dbraw/zinc/76/29/78/1079762978.db2.gz GUJRWLSWZSQOIK-DBXWQHBBSA-N 1 3 370.541 2.887 20 0 FFADHO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589963541 1080906934 /nfs/dbraw/zinc/90/69/34/1080906934.db2.gz KVZWFDFZXZUJHI-CYBMUJFWSA-N 1 3 358.465 2.778 20 0 FFADHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001590141547 1081046751 /nfs/dbraw/zinc/04/67/51/1081046751.db2.gz IIMVRPYDVXXWIX-UHFFFAOYSA-N 1 3 358.465 2.893 20 0 FFADHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001590141547 1081046756 /nfs/dbraw/zinc/04/67/56/1081046756.db2.gz IIMVRPYDVXXWIX-UHFFFAOYSA-N 1 3 358.465 2.893 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422948474 513988070 /nfs/dbraw/zinc/98/80/70/513988070.db2.gz RLJZHPYPXCIRLW-CPUCHLNUSA-N 1 3 352.320 2.863 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccc(F)cc3)CC2)CC1 ZINC000103077363 250135180 /nfs/dbraw/zinc/13/51/80/250135180.db2.gz SOQDCRVYYBVCCI-UHFFFAOYSA-N 1 3 361.505 2.778 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000131656184 251007518 /nfs/dbraw/zinc/00/75/18/251007518.db2.gz HTPSGBZLCFQASK-GOSISDBHSA-N 1 3 350.551 2.813 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272319559 252007870 /nfs/dbraw/zinc/00/78/70/252007870.db2.gz TZFWHESPMJQKJS-HKUYNNGSSA-N 1 3 374.529 2.965 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272475822 252048570 /nfs/dbraw/zinc/04/85/70/252048570.db2.gz QSTRKOKSCSFXIA-PXNSSMCTSA-N 1 3 358.530 2.762 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272475822 252048574 /nfs/dbraw/zinc/04/85/74/252048574.db2.gz QSTRKOKSCSFXIA-PXNSSMCTSA-N 1 3 358.530 2.762 20 0 FFADHO CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272491050 252050610 /nfs/dbraw/zinc/05/06/10/252050610.db2.gz WAWYIXNIXMEGLS-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272491050 252050614 /nfs/dbraw/zinc/05/06/14/252050614.db2.gz WAWYIXNIXMEGLS-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000272518292 252058946 /nfs/dbraw/zinc/05/89/46/252058946.db2.gz YTOYSPLNLSMYMG-UXHICEINSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565491 252069516 /nfs/dbraw/zinc/06/95/16/252069516.db2.gz SPTRBXGBTRYVOX-KCLUMXDGSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565491 252069520 /nfs/dbraw/zinc/06/95/20/252069520.db2.gz SPTRBXGBTRYVOX-KCLUMXDGSA-N 1 3 370.541 2.775 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c(OCC[NH+](C)C)c1 ZINC000272746124 252120187 /nfs/dbraw/zinc/12/01/87/252120187.db2.gz RZNOQKWKBKVXFL-INIZCTEOSA-N 1 3 360.502 2.707 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272815793 252138404 /nfs/dbraw/zinc/13/84/04/252138404.db2.gz OAKLGRNLADMHRS-NEKRIBJYSA-N 1 3 371.569 2.864 20 0 FFADHO CS[C@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1[NH+]1CCCC1 ZINC000275848324 256053539 /nfs/dbraw/zinc/05/35/39/256053539.db2.gz VWDXXEZMEQDYCI-MSOLQXFVSA-N 1 3 362.543 2.792 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000277161757 256167135 /nfs/dbraw/zinc/16/71/35/256167135.db2.gz FXRMKGRQKSHYNF-SFHVURJKSA-N 1 3 363.546 2.729 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000278486355 256317795 /nfs/dbraw/zinc/31/77/95/256317795.db2.gz KUKFCFALDMZZQY-RTBURBONSA-N 1 3 361.530 2.675 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000278486355 256317796 /nfs/dbraw/zinc/31/77/96/256317796.db2.gz KUKFCFALDMZZQY-RTBURBONSA-N 1 3 361.530 2.675 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000279221901 256394944 /nfs/dbraw/zinc/39/49/44/256394944.db2.gz PAWSXIMSRPNQTJ-XKGZKEIXSA-N 1 3 361.530 2.925 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000279221901 256394946 /nfs/dbraw/zinc/39/49/46/256394946.db2.gz PAWSXIMSRPNQTJ-XKGZKEIXSA-N 1 3 361.530 2.925 20 0 FFADHO CN1CCCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)cc2)CC1 ZINC000286147967 257022710 /nfs/dbraw/zinc/02/27/10/257022710.db2.gz PTSLVUMNTKOQBJ-LAUBAEHRSA-N 1 3 356.514 2.547 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000287854994 257121439 /nfs/dbraw/zinc/12/14/39/257121439.db2.gz DYWXQCAWMGPCKE-BJLQDIEVSA-N 1 3 358.530 2.805 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000288152695 257152865 /nfs/dbraw/zinc/15/28/65/257152865.db2.gz OFRYRVLZWSYLRR-PXNSSMCTSA-N 1 3 358.530 2.821 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000289298432 257272539 /nfs/dbraw/zinc/27/25/39/257272539.db2.gz BAPQMUVHAMDZNH-WMZOPIPTSA-N 1 3 368.525 2.788 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000289298432 257272540 /nfs/dbraw/zinc/27/25/40/257272540.db2.gz BAPQMUVHAMDZNH-WMZOPIPTSA-N 1 3 368.525 2.788 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000289298432 257272541 /nfs/dbraw/zinc/27/25/41/257272541.db2.gz BAPQMUVHAMDZNH-WMZOPIPTSA-N 1 3 368.525 2.788 20 0 FFADHO COc1ncccc1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000289711796 257295035 /nfs/dbraw/zinc/29/50/35/257295035.db2.gz FJKQEHKWIFUTFA-UHFFFAOYSA-N 1 3 368.525 2.953 20 0 FFADHO CN1CCC[C@H](CNc2ncc(Cl)c(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000301974985 258079565 /nfs/dbraw/zinc/07/95/65/258079565.db2.gz CHBNQKYNKAQXDZ-HUUCEWRRSA-N 1 3 366.941 2.637 20 0 FFADHO CN1CCC[C@H](CNc2ncc(Cl)c(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000301974985 258079568 /nfs/dbraw/zinc/07/95/68/258079568.db2.gz CHBNQKYNKAQXDZ-HUUCEWRRSA-N 1 3 366.941 2.637 20 0 FFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000333240485 258257976 /nfs/dbraw/zinc/25/79/76/258257976.db2.gz DRPXCKROVBNNIZ-OLMMMNRUSA-N 1 3 355.482 2.572 20 0 FFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000333240482 258257997 /nfs/dbraw/zinc/25/79/97/258257997.db2.gz DRPXCKROVBNNIZ-NNFUDEMPSA-N 1 3 355.482 2.572 20 0 FFADHO c1ccc(N2CCN(CCCN3CCC[C@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000377127618 512134829 /nfs/dbraw/zinc/13/48/29/512134829.db2.gz MYIOLDQJXAJKKB-QFIPXVFZSA-N 1 3 356.558 2.759 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000370944963 512146639 /nfs/dbraw/zinc/14/66/39/512146639.db2.gz PYWSMVMMNVVPSY-IBGZPJMESA-N 1 3 367.493 2.634 20 0 FFADHO C[NH+](C)CCOCCNCc1cc(Br)ccc1OC(F)F ZINC000226745363 509402916 /nfs/dbraw/zinc/40/29/16/509402916.db2.gz SYINYXPDRZGGSG-UHFFFAOYSA-N 1 3 367.234 2.718 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188121184 510604602 /nfs/dbraw/zinc/60/46/02/510604602.db2.gz OLTZLMXNTKMGIV-MRXNPFEDSA-N 1 3 368.363 2.997 20 0 FFADHO C[C@H](NC(=O)N1CCCC12CC[NH+](C)CC2)[C@@H](c1ccccc1)N(C)C ZINC000377259716 512190179 /nfs/dbraw/zinc/19/01/79/512190179.db2.gz MSYHJHSJRMMVCT-HKUYNNGSSA-N 1 3 358.530 2.948 20 0 FFADHO CC(=O)N1CC[C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2C1 ZINC000366790127 512188305 /nfs/dbraw/zinc/18/83/05/512188305.db2.gz KBQDEXPIZVHUPO-DYESRHJHSA-N 1 3 359.514 2.570 20 0 FFADHO CC(=O)N1CC[C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2C1 ZINC000366790127 512188306 /nfs/dbraw/zinc/18/83/06/512188306.db2.gz KBQDEXPIZVHUPO-DYESRHJHSA-N 1 3 359.514 2.570 20 0 FFADHO COCC[C@H]1CCCCN(C[C@H](O)C[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000373183957 512210310 /nfs/dbraw/zinc/21/03/10/512210310.db2.gz ULPULRPFRSLUMC-AERCQKQUSA-N 1 3 370.578 2.625 20 0 FFADHO COCC[C@H]1CCCCN(C[C@H](O)C[N@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000373183957 512210313 /nfs/dbraw/zinc/21/03/13/512210313.db2.gz ULPULRPFRSLUMC-AERCQKQUSA-N 1 3 370.578 2.625 20 0 FFADHO COCC[C@H]1CCCC[N@@H+](C[C@H](O)CN2CCCC[C@@H](CCOC)C2)C1 ZINC000373183957 512210315 /nfs/dbraw/zinc/21/03/15/512210315.db2.gz ULPULRPFRSLUMC-AERCQKQUSA-N 1 3 370.578 2.625 20 0 FFADHO COCC[C@H]1CCCC[N@H+](C[C@H](O)CN2CCCC[C@@H](CCOC)C2)C1 ZINC000373183957 512210319 /nfs/dbraw/zinc/21/03/19/512210319.db2.gz ULPULRPFRSLUMC-AERCQKQUSA-N 1 3 370.578 2.625 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)C1 ZINC000410375969 512247357 /nfs/dbraw/zinc/24/73/57/512247357.db2.gz QVLIAEDTOKFRSO-GOSISDBHSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCN(C)CC2)C1 ZINC000410375969 512247363 /nfs/dbraw/zinc/24/73/63/512247363.db2.gz QVLIAEDTOKFRSO-GOSISDBHSA-N 1 3 358.530 2.766 20 0 FFADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000375292413 512253409 /nfs/dbraw/zinc/25/34/09/512253409.db2.gz LFWIVMBJFDXMIZ-XNKSBNDBSA-N 1 3 357.542 2.945 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000066196415 506446550 /nfs/dbraw/zinc/44/65/50/506446550.db2.gz YNYPUKOMMFEVPS-OAHLLOKOSA-N 1 3 370.488 2.768 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000066196415 506446554 /nfs/dbraw/zinc/44/65/54/506446554.db2.gz YNYPUKOMMFEVPS-OAHLLOKOSA-N 1 3 370.488 2.768 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000042929587 506680025 /nfs/dbraw/zinc/68/00/25/506680025.db2.gz KGTAPNWRDBEEJD-SFHVURJKSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000042929587 506680032 /nfs/dbraw/zinc/68/00/32/506680032.db2.gz KGTAPNWRDBEEJD-SFHVURJKSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)(CNC(=O)NCCC[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000045121477 506921315 /nfs/dbraw/zinc/92/13/15/506921315.db2.gz GBJGQAZUXCAPQY-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067734552 506991676 /nfs/dbraw/zinc/99/16/76/506991676.db2.gz CWBQDCVGVOBLMB-UYAOXDASSA-N 1 3 360.546 2.928 20 0 FFADHO [NH3+][C@H]1CCc2nc(NC(=O)c3cccc(CN4CCCC4)c3)sc2C1 ZINC000377536007 512315215 /nfs/dbraw/zinc/31/52/15/512315215.db2.gz OUBDIUJFQGSLGY-HNNXBMFYSA-N 1 3 356.495 2.807 20 0 FFADHO CC1CCN(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373432050 512327493 /nfs/dbraw/zinc/32/74/93/512327493.db2.gz RVMRBQLWEXLJOZ-UHFFFAOYSA-N 1 3 361.452 2.640 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H](C)O1 ZINC000062252976 507660638 /nfs/dbraw/zinc/66/06/38/507660638.db2.gz RKNWHOUMVYAQFA-OALUTQOASA-N 1 3 356.514 2.910 20 0 FFADHO CCn1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000050800479 507713085 /nfs/dbraw/zinc/71/30/85/507713085.db2.gz VDYQMUHGLQUIIJ-UHFFFAOYSA-N 1 3 368.525 2.950 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCCOCc3ccccc3)CC2)CC1 ZINC000050797399 507714474 /nfs/dbraw/zinc/71/44/74/507714474.db2.gz YVSXAHJOCDPARC-UHFFFAOYSA-N 1 3 373.541 2.658 20 0 FFADHO CCc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050803132 507716439 /nfs/dbraw/zinc/71/64/39/507716439.db2.gz MLPCYLUSMLNQDE-UHFFFAOYSA-N 1 3 357.542 2.856 20 0 FFADHO Cc1ccccc1CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759839 507783614 /nfs/dbraw/zinc/78/36/14/507783614.db2.gz FHVWMRASGLXSDP-UHFFFAOYSA-N 1 3 358.530 2.695 20 0 FFADHO CN(C)Cc1cccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000089393167 507835463 /nfs/dbraw/zinc/83/54/63/507835463.db2.gz YYMPQNRILBFOEO-UHFFFAOYSA-N 1 3 352.482 2.790 20 0 FFADHO CCN(CC)c1ncc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000377632544 512366808 /nfs/dbraw/zinc/36/68/08/512366808.db2.gz SVTBKNMSCQOJPF-KRWDZBQOSA-N 1 3 365.591 2.590 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000108552082 507903292 /nfs/dbraw/zinc/90/32/92/507903292.db2.gz OTTVDWCYXMSOSR-WBVHZDCISA-N 1 3 352.548 2.772 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000108552082 507903294 /nfs/dbraw/zinc/90/32/94/507903294.db2.gz OTTVDWCYXMSOSR-WBVHZDCISA-N 1 3 352.548 2.772 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000108549494 507903346 /nfs/dbraw/zinc/90/33/46/507903346.db2.gz CBVSPHGXCATKEG-NRFANRHFSA-N 1 3 370.541 2.743 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000108549494 507903348 /nfs/dbraw/zinc/90/33/48/507903348.db2.gz CBVSPHGXCATKEG-NRFANRHFSA-N 1 3 370.541 2.743 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000108568296 507905816 /nfs/dbraw/zinc/90/58/16/507905816.db2.gz BQQNSJRRAOGNRS-IRXDYDNUSA-N 1 3 364.559 2.601 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000108568296 507905817 /nfs/dbraw/zinc/90/58/17/507905817.db2.gz BQQNSJRRAOGNRS-IRXDYDNUSA-N 1 3 364.559 2.601 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(c3nccs3)CC2)C[C@@H](C)O1 ZINC000090117481 507909990 /nfs/dbraw/zinc/90/99/90/507909990.db2.gz GPTFORDIRNVUFD-HZPDHXFCSA-N 1 3 352.548 2.591 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000078947106 507918566 /nfs/dbraw/zinc/91/85/66/507918566.db2.gz YCWJZBYVWKJNGO-UHFFFAOYSA-N 1 3 358.530 2.780 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([S@@](C)=O)cc1 ZINC000090525993 507926139 /nfs/dbraw/zinc/92/61/39/507926139.db2.gz VARICFYMPJAFQF-LJZUKVSMSA-N 1 3 364.555 2.843 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cccc(OCCN(C)C)c1 ZINC000090802119 507936749 /nfs/dbraw/zinc/93/67/49/507936749.db2.gz KVAYYEYCFVXHFI-IEBWSBKVSA-N 1 3 354.498 2.952 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(OCCN(C)C)cc1 ZINC000090802064 507937079 /nfs/dbraw/zinc/93/70/79/507937079.db2.gz BQKMFAPEARNDGX-HKUYNNGSSA-N 1 3 354.498 2.952 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000073651739 507943196 /nfs/dbraw/zinc/94/31/96/507943196.db2.gz QPZGREIKJJBRBA-IRXDYDNUSA-N 1 3 352.548 2.915 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000073651739 507943197 /nfs/dbraw/zinc/94/31/97/507943197.db2.gz QPZGREIKJJBRBA-IRXDYDNUSA-N 1 3 352.548 2.915 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000073657259 507943884 /nfs/dbraw/zinc/94/38/84/507943884.db2.gz QMHBHNMAHLSGHI-NJYVYQBISA-N 1 3 370.541 2.701 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000073657259 507943885 /nfs/dbraw/zinc/94/38/85/507943885.db2.gz QMHBHNMAHLSGHI-NJYVYQBISA-N 1 3 370.541 2.701 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000079223055 507946098 /nfs/dbraw/zinc/94/60/98/507946098.db2.gz XWBRDOJWVHAONB-XLIONFOSSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000079223055 507946100 /nfs/dbraw/zinc/94/61/00/507946100.db2.gz XWBRDOJWVHAONB-XLIONFOSSA-N 1 3 358.530 2.635 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000073774426 507954036 /nfs/dbraw/zinc/95/40/36/507954036.db2.gz BABBIJKYTQVMOY-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC[C@@H](CNc2ncc(Cl)c(NC[C@@H]3CCC[N@H+](C)C3)n2)C1 ZINC000091482652 507989277 /nfs/dbraw/zinc/98/92/77/507989277.db2.gz CHBNQKYNKAQXDZ-GJZGRUSLSA-N 1 3 366.941 2.637 20 0 FFADHO CN1CCC[C@@H](CNc2ncc(Cl)c(NC[C@@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000091482652 507989279 /nfs/dbraw/zinc/98/92/79/507989279.db2.gz CHBNQKYNKAQXDZ-GJZGRUSLSA-N 1 3 366.941 2.637 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000074231596 508000728 /nfs/dbraw/zinc/00/07/28/508000728.db2.gz IQNQMPPYZQPPKI-UHFFFAOYSA-N 1 3 361.530 2.711 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C[NH+]1CCCC1 ZINC000079789477 508001457 /nfs/dbraw/zinc/00/14/57/508001457.db2.gz MMRAWKNXSNAJDR-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000080079070 508034539 /nfs/dbraw/zinc/03/45/39/508034539.db2.gz YFCMQXXAODAVCD-HOJAQTOUSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000080079070 508034542 /nfs/dbraw/zinc/03/45/42/508034542.db2.gz YFCMQXXAODAVCD-HOJAQTOUSA-N 1 3 370.541 2.823 20 0 FFADHO CC1CCN(CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000092694304 508095041 /nfs/dbraw/zinc/09/50/41/508095041.db2.gz AYXIFSYOSDBWTR-UHFFFAOYSA-N 1 3 358.530 2.878 20 0 FFADHO CCN(CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000111506840 508105800 /nfs/dbraw/zinc/10/58/00/508105800.db2.gz GRTQEJMUTOIHPY-VCSGRIEYSA-N 1 3 370.541 2.966 20 0 FFADHO CCN(CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000111506840 508105802 /nfs/dbraw/zinc/10/58/02/508105802.db2.gz GRTQEJMUTOIHPY-VCSGRIEYSA-N 1 3 370.541 2.966 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](n3cccn3)C2)CC1 ZINC000092968055 508110844 /nfs/dbraw/zinc/11/08/44/508110844.db2.gz PKCIXFKCXQTGQS-HXUWFJFHSA-N 1 3 353.514 2.862 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](n3cccn3)C2)CC1 ZINC000092968055 508110847 /nfs/dbraw/zinc/11/08/47/508110847.db2.gz PKCIXFKCXQTGQS-HXUWFJFHSA-N 1 3 353.514 2.862 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000111661076 508114157 /nfs/dbraw/zinc/11/41/57/508114157.db2.gz FMWFONZJQJHZEB-NRFANRHFSA-N 1 3 355.526 2.985 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000111847482 508129368 /nfs/dbraw/zinc/12/93/68/508129368.db2.gz WMAYYJJSYBAOSO-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO CC1CC[NH+](CCCNC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000093349789 508140800 /nfs/dbraw/zinc/14/08/00/508140800.db2.gz DYQPZCGKPBUSKA-UHFFFAOYSA-N 1 3 373.545 2.719 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112746290 508219811 /nfs/dbraw/zinc/21/98/11/508219811.db2.gz YGJCQWIYUOGHFM-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO CC[N@H+](C)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000112926040 508234005 /nfs/dbraw/zinc/23/40/05/508234005.db2.gz LULVOTMHEDMNEZ-KRWDZBQOSA-N 1 3 357.420 2.509 20 0 FFADHO CC[N@@H+](C)CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000112926040 508234007 /nfs/dbraw/zinc/23/40/07/508234007.db2.gz LULVOTMHEDMNEZ-KRWDZBQOSA-N 1 3 357.420 2.509 20 0 FFADHO COc1cc(C)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000083453704 508245936 /nfs/dbraw/zinc/24/59/36/508245936.db2.gz KFKAMNOZHAWIRW-IRXDYDNUSA-N 1 3 350.503 2.991 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000103321179 508307339 /nfs/dbraw/zinc/30/73/39/508307339.db2.gz PJEZCPWIVWKQDM-UHFFFAOYSA-N 1 3 350.551 2.626 20 0 FFADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000085417684 508307913 /nfs/dbraw/zinc/30/79/13/508307913.db2.gz WMEVDOSPWGHGMJ-GGPKGHCWSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000085417684 508307914 /nfs/dbraw/zinc/30/79/14/508307914.db2.gz WMEVDOSPWGHGMJ-GGPKGHCWSA-N 1 3 360.546 2.879 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114781323 508346683 /nfs/dbraw/zinc/34/66/83/508346683.db2.gz XZLGBJNWUPRKQL-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000105090044 508360180 /nfs/dbraw/zinc/36/01/80/508360180.db2.gz GFPWJKCNYXISAM-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000105293368 508369202 /nfs/dbraw/zinc/36/92/02/508369202.db2.gz VEROFLMJSPIKHI-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105293368 508369203 /nfs/dbraw/zinc/36/92/03/508369203.db2.gz VEROFLMJSPIKHI-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000115820507 508442377 /nfs/dbraw/zinc/44/23/77/508442377.db2.gz VBKHGEVGDFBDRF-LEWJYISDSA-N 1 3 372.557 2.534 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000115820507 508442383 /nfs/dbraw/zinc/44/23/83/508442383.db2.gz VBKHGEVGDFBDRF-LEWJYISDSA-N 1 3 372.557 2.534 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)Cc1ccccc1 ZINC000156881580 508491056 /nfs/dbraw/zinc/49/10/56/508491056.db2.gz GBBFJRQDLCIXMR-SOAGJPPSSA-N 1 3 360.546 2.579 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000122193123 508496200 /nfs/dbraw/zinc/49/62/00/508496200.db2.gz GQXSFOSKCWLUJH-OALUTQOASA-N 1 3 367.578 2.846 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000122193123 508496204 /nfs/dbraw/zinc/49/62/04/508496204.db2.gz GQXSFOSKCWLUJH-OALUTQOASA-N 1 3 367.578 2.846 20 0 FFADHO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000134130781 508497065 /nfs/dbraw/zinc/49/70/65/508497065.db2.gz AWSKOJPOTCRSGK-KRWDZBQOSA-N 1 3 361.530 2.925 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H](N(C)C)C3)CC2)CC1 ZINC000152760240 508510982 /nfs/dbraw/zinc/51/09/82/508510982.db2.gz LIKUTKABECPBRR-ACBHZAAOSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000128125232 508551551 /nfs/dbraw/zinc/55/15/51/508551551.db2.gz WEKMTUNMBDUYFP-HIFRSBDPSA-N 1 3 357.420 2.943 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000157671321 508594825 /nfs/dbraw/zinc/59/48/25/508594825.db2.gz ATYSHFQBIPHTRV-FQEVSTJZSA-N 1 3 360.546 2.581 20 0 FFADHO C[NH+]1CCC(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000153656789 508618348 /nfs/dbraw/zinc/61/83/48/508618348.db2.gz ZWETYHVSKZMVRV-LJQANCHMSA-N 1 3 367.497 2.610 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154081185 508713041 /nfs/dbraw/zinc/71/30/41/508713041.db2.gz UWZYXMDWDJNKOO-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000137204000 508744120 /nfs/dbraw/zinc/74/41/20/508744120.db2.gz BHOXCRYSPZDUOU-CQSZACIVSA-N 1 3 351.878 2.609 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000119231962 508753326 /nfs/dbraw/zinc/75/33/26/508753326.db2.gz RWILSKBJWOJZML-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000119231962 508753329 /nfs/dbraw/zinc/75/33/29/508753329.db2.gz RWILSKBJWOJZML-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CN(CCCNC(=O)NC1CCC(C[NH+](C)C)CC1)Cc1ccccc1 ZINC000137533431 508759411 /nfs/dbraw/zinc/75/94/11/508759411.db2.gz VMRKSAJZCUNYFI-UHFFFAOYSA-N 1 3 360.546 2.928 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)N2CCCC2)cc1 ZINC000129784787 508766141 /nfs/dbraw/zinc/76/61/41/508766141.db2.gz GDJPMBPVXOWANR-QUCCMNQESA-N 1 3 358.530 2.725 20 0 FFADHO COc1cc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)ccc1OC(F)F ZINC000154362697 508769135 /nfs/dbraw/zinc/76/91/35/508769135.db2.gz LLYCKEPRYVGDDX-OAHLLOKOSA-N 1 3 371.472 2.975 20 0 FFADHO C[C@@H](Cn1cccn1)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000138327801 508771872 /nfs/dbraw/zinc/77/18/72/508771872.db2.gz UPPKYLBOLQDQCV-SFHVURJKSA-N 1 3 372.513 2.551 20 0 FFADHO C[C@@H](Cn1cccn1)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000138327801 508771877 /nfs/dbraw/zinc/77/18/77/508771877.db2.gz UPPKYLBOLQDQCV-SFHVURJKSA-N 1 3 372.513 2.551 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000119610465 508828324 /nfs/dbraw/zinc/82/83/24/508828324.db2.gz IZUHFCCEBTXCRE-TZIWHRDSSA-N 1 3 358.530 2.634 20 0 FFADHO O=C1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C2(CCC2)N1 ZINC000367278365 512421906 /nfs/dbraw/zinc/42/19/06/512421906.db2.gz MDCQFJGLQLOPCB-WTGUMLROSA-N 1 3 353.510 2.688 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000371494093 512432621 /nfs/dbraw/zinc/43/26/21/512432621.db2.gz ANZCRLHSWKAVMD-FPOVZHCZSA-N 1 3 370.541 2.574 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000371494093 512432623 /nfs/dbraw/zinc/43/26/23/512432623.db2.gz ANZCRLHSWKAVMD-FPOVZHCZSA-N 1 3 370.541 2.574 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000155608967 509036691 /nfs/dbraw/zinc/03/66/91/509036691.db2.gz ZWZQKBDVWKJGMZ-HUUCEWRRSA-N 1 3 371.472 2.973 20 0 FFADHO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(OCCN(C)C)cc1 ZINC000126521787 509090295 /nfs/dbraw/zinc/09/02/95/509090295.db2.gz BTMSSPHAYGFLDD-QGZVFWFLSA-N 1 3 371.529 2.838 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126633191 509105589 /nfs/dbraw/zinc/10/55/89/509105589.db2.gz REQIOLLGPGECAG-FXAWDEMLSA-N 1 3 371.525 2.716 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126633191 509105594 /nfs/dbraw/zinc/10/55/94/509105594.db2.gz REQIOLLGPGECAG-FXAWDEMLSA-N 1 3 371.525 2.716 20 0 FFADHO CN(C)Cc1ccc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000161589413 509133662 /nfs/dbraw/zinc/13/36/62/509133662.db2.gz KJXGYDYHIIKHQQ-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156149682 509135065 /nfs/dbraw/zinc/13/50/65/509135065.db2.gz AQSOBGGTQCHAJM-UHFFFAOYSA-N 1 3 355.486 2.854 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000195606747 509212480 /nfs/dbraw/zinc/21/24/80/509212480.db2.gz LZACYIWGXMRQDL-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)C1 ZINC000188712723 509227190 /nfs/dbraw/zinc/22/71/90/509227190.db2.gz IRJWQVVNUFOFKL-CQSZACIVSA-N 1 3 353.470 2.540 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)C1 ZINC000188712723 509227197 /nfs/dbraw/zinc/22/71/97/509227197.db2.gz IRJWQVVNUFOFKL-CQSZACIVSA-N 1 3 353.470 2.540 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000175950707 509232642 /nfs/dbraw/zinc/23/26/42/509232642.db2.gz PWNPWALPTYCPNA-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000185638959 509279626 /nfs/dbraw/zinc/27/96/26/509279626.db2.gz GRERGUXOOVSJPI-PXNSSMCTSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000248386182 509284935 /nfs/dbraw/zinc/28/49/35/509284935.db2.gz LNZIPIAUOCGAOO-NYUBLWNDSA-N 1 3 373.541 2.521 20 0 FFADHO C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000248386182 509284944 /nfs/dbraw/zinc/28/49/44/509284944.db2.gz LNZIPIAUOCGAOO-NYUBLWNDSA-N 1 3 373.541 2.521 20 0 FFADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2C[C@H](F)CN2)cc1 ZINC000188849932 509292004 /nfs/dbraw/zinc/29/20/04/509292004.db2.gz APZXWYTXZXAOAT-AZUAARDMSA-N 1 3 355.457 2.731 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248400220 509294161 /nfs/dbraw/zinc/29/41/61/509294161.db2.gz KRUYORBUOZOOHC-DFEOGRTESA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248400220 509294170 /nfs/dbraw/zinc/29/41/70/509294170.db2.gz KRUYORBUOZOOHC-DFEOGRTESA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000176053863 509299825 /nfs/dbraw/zinc/29/98/25/509299825.db2.gz PLSRFTUWXNDJPQ-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](NCCC(=O)Nc1cc(N)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699958 509312348 /nfs/dbraw/zinc/31/23/48/509312348.db2.gz HJMWQQGHBWSYKB-HUUCEWRRSA-N 1 3 362.493 2.979 20 0 FFADHO C[C@@H](NCCC(=O)Nc1cc(N)ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699958 509312358 /nfs/dbraw/zinc/31/23/58/509312358.db2.gz HJMWQQGHBWSYKB-HUUCEWRRSA-N 1 3 362.493 2.979 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000185699958 509312367 /nfs/dbraw/zinc/31/23/67/509312367.db2.gz HJMWQQGHBWSYKB-HUUCEWRRSA-N 1 3 362.493 2.979 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H](N)c1ccccc1 ZINC000188997455 509361559 /nfs/dbraw/zinc/36/15/59/509361559.db2.gz GXRVOTNBISBPKP-GSJUVLCZSA-N 1 3 373.447 2.863 20 0 FFADHO COc1ccc([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000163499290 509385040 /nfs/dbraw/zinc/38/50/40/509385040.db2.gz ZMLPHZUYQIZKDR-VZKPYBMVSA-N 1 3 371.525 2.869 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000248757541 509474068 /nfs/dbraw/zinc/47/40/68/509474068.db2.gz GHABWUWPWWLPOB-FXAWDEMLSA-N 1 3 358.530 2.538 20 0 FFADHO C(=C/C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)\CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000267447437 509488303 /nfs/dbraw/zinc/48/83/03/509488303.db2.gz QILAMAAYGWELMI-QLJMBOKNSA-N 1 3 354.502 2.748 20 0 FFADHO C(=C/C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)\CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000267447437 509488307 /nfs/dbraw/zinc/48/83/07/509488307.db2.gz QILAMAAYGWELMI-QLJMBOKNSA-N 1 3 354.502 2.748 20 0 FFADHO C[C@@H](CS(C)(=O)=O)[NH2+]CCCCN1CCC(Cc2ccccc2)CC1 ZINC000182926924 509499932 /nfs/dbraw/zinc/49/99/32/509499932.db2.gz WCEABUWMOVXODO-SFHVURJKSA-N 1 3 366.571 2.744 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000176463855 509525753 /nfs/dbraw/zinc/52/57/53/509525753.db2.gz PJFPHEBRTKRZPT-WBVHZDCISA-N 1 3 352.548 2.770 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000176463855 509525755 /nfs/dbraw/zinc/52/57/55/509525755.db2.gz PJFPHEBRTKRZPT-WBVHZDCISA-N 1 3 352.548 2.770 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000176463840 509526063 /nfs/dbraw/zinc/52/60/63/509526063.db2.gz PJFPHEBRTKRZPT-RDJZCZTQSA-N 1 3 352.548 2.770 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000176463840 509526070 /nfs/dbraw/zinc/52/60/70/509526070.db2.gz PJFPHEBRTKRZPT-RDJZCZTQSA-N 1 3 352.548 2.770 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000237194912 509591263 /nfs/dbraw/zinc/59/12/63/509591263.db2.gz IMIZFPHNUJQDDL-UHFFFAOYSA-N 1 3 359.436 2.743 20 0 FFADHO COCCOc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000264547934 509593106 /nfs/dbraw/zinc/59/31/06/509593106.db2.gz REERKHJOOAZHDT-QZTJIDSGSA-N 1 3 350.503 2.691 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000192718435 509612295 /nfs/dbraw/zinc/61/22/95/509612295.db2.gz CPRPUPYMLANUBB-HXUWFJFHSA-N 1 3 372.557 2.753 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000192718435 509612297 /nfs/dbraw/zinc/61/22/97/509612297.db2.gz CPRPUPYMLANUBB-HXUWFJFHSA-N 1 3 372.557 2.753 20 0 FFADHO Cc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(OCCN(C)C)c1 ZINC000173475784 509624374 /nfs/dbraw/zinc/62/43/74/509624374.db2.gz YVKAXLCGNXPLDW-KRWDZBQOSA-N 1 3 362.518 2.741 20 0 FFADHO Cc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c(OCCN(C)C)c1 ZINC000173475784 509624381 /nfs/dbraw/zinc/62/43/81/509624381.db2.gz YVKAXLCGNXPLDW-KRWDZBQOSA-N 1 3 362.518 2.741 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000192747671 509626261 /nfs/dbraw/zinc/62/62/61/509626261.db2.gz PAJMUBWGJDCYTE-JOCHJYFZSA-N 1 3 359.558 2.941 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000192747671 509626263 /nfs/dbraw/zinc/62/62/63/509626263.db2.gz PAJMUBWGJDCYTE-JOCHJYFZSA-N 1 3 359.558 2.941 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000167543568 509634324 /nfs/dbraw/zinc/63/43/24/509634324.db2.gz MAJQGGHCPCOGLP-AWQBJMPUSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000167543568 509634330 /nfs/dbraw/zinc/63/43/30/509634330.db2.gz MAJQGGHCPCOGLP-AWQBJMPUSA-N 1 3 361.530 2.596 20 0 FFADHO C[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000237437326 509647370 /nfs/dbraw/zinc/64/73/70/509647370.db2.gz YQVTZOUSEQSLLN-UEXGIBASSA-N 1 3 357.542 2.915 20 0 FFADHO Cc1nc2n(n1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000192809014 509654011 /nfs/dbraw/zinc/65/40/11/509654011.db2.gz SQAXVAFMTZXDQY-XUBOLADHSA-N 1 3 351.498 2.687 20 0 FFADHO Cc1nc2n(n1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000192809014 509654016 /nfs/dbraw/zinc/65/40/16/509654016.db2.gz SQAXVAFMTZXDQY-XUBOLADHSA-N 1 3 351.498 2.687 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000173564749 509654422 /nfs/dbraw/zinc/65/44/22/509654422.db2.gz VRHREBMSNDVTKG-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249362807 509661684 /nfs/dbraw/zinc/66/16/84/509661684.db2.gz TWEWYMWCLWEATI-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249362807 509661687 /nfs/dbraw/zinc/66/16/87/509661687.db2.gz TWEWYMWCLWEATI-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)CCOc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000183222837 509665718 /nfs/dbraw/zinc/66/57/18/509665718.db2.gz ZLLXJHDFYBKOFU-UHFFFAOYSA-N 1 3 374.529 2.549 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CC1 ZINC000183229985 509667896 /nfs/dbraw/zinc/66/78/96/509667896.db2.gz ABQAEHHBLRGFOR-VQTJNVASSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237610055 509690702 /nfs/dbraw/zinc/69/07/02/509690702.db2.gz KOLHTWIZEICZIA-QZTJIDSGSA-N 1 3 367.603 2.880 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCCC[NH+]2CCCCC2)c(OC)c1 ZINC000170670090 509709747 /nfs/dbraw/zinc/70/97/47/509709747.db2.gz VAKHNJIBHDWIHT-INIZCTEOSA-N 1 3 363.502 2.887 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000249803771 509767215 /nfs/dbraw/zinc/76/72/15/509767215.db2.gz ZXWVNOANBDCNAJ-SJORKVTESA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000249803771 509767219 /nfs/dbraw/zinc/76/72/19/509767219.db2.gz ZXWVNOANBDCNAJ-SJORKVTESA-N 1 3 364.534 2.782 20 0 FFADHO CC[C@H](CN[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)[NH+]1CCCC1 ZINC000183410545 509772060 /nfs/dbraw/zinc/77/20/60/509772060.db2.gz SRHXOOUKEMJZHO-MAUKXSAKSA-N 1 3 361.486 2.654 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000180276124 509845697 /nfs/dbraw/zinc/84/56/97/509845697.db2.gz KQXVONGYXDPEJU-QGZVFWFLSA-N 1 3 360.502 2.897 20 0 FFADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OC(F)F ZINC000268436657 509929138 /nfs/dbraw/zinc/92/91/38/509929138.db2.gz QKTPHFDVRCBTRO-UHFFFAOYSA-N 1 3 358.429 2.622 20 0 FFADHO Cc1ccc(NCc2cnccc2N(C)C)cc1NC(=O)CC[NH+](C)C ZINC000183781242 509971209 /nfs/dbraw/zinc/97/12/09/509971209.db2.gz VJTKYNHRCYHBOL-UHFFFAOYSA-N 1 3 355.486 2.958 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000268526486 509990896 /nfs/dbraw/zinc/99/08/96/509990896.db2.gz HHAKCXLCESQYCJ-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000268526486 509990900 /nfs/dbraw/zinc/99/09/00/509990900.db2.gz HHAKCXLCESQYCJ-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO C[N@@H+](Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC1CC[NH2+]CC1 ZINC000261600375 509996461 /nfs/dbraw/zinc/99/64/61/509996461.db2.gz ACCALAJUYCEYJM-UHFFFAOYSA-N 1 3 373.522 2.919 20 0 FFADHO C[N@H+](Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC1CC[NH2+]CC1 ZINC000261600375 509996470 /nfs/dbraw/zinc/99/64/70/509996470.db2.gz ACCALAJUYCEYJM-UHFFFAOYSA-N 1 3 373.522 2.919 20 0 FFADHO COC(=O)[C@H](C)Oc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261621395 510004732 /nfs/dbraw/zinc/00/47/32/510004732.db2.gz DKLLRKDJWQFEDO-SCWSEQNSSA-N 1 3 368.477 2.801 20 0 FFADHO COCCN1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000265496978 510085669 /nfs/dbraw/zinc/08/56/69/510085669.db2.gz OMULUNYDERKREH-FQEVSTJZSA-N 1 3 374.529 2.557 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000177491578 510092595 /nfs/dbraw/zinc/09/25/95/510092595.db2.gz CJBPXIIIGVOULG-XQBPLPMBSA-N 1 3 360.542 2.801 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261864285 510093926 /nfs/dbraw/zinc/09/39/26/510093926.db2.gz SMPICGROBFBCKS-FVJLSDCUSA-N 1 3 373.541 2.535 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261864285 510093930 /nfs/dbraw/zinc/09/39/30/510093930.db2.gz SMPICGROBFBCKS-FVJLSDCUSA-N 1 3 373.541 2.535 20 0 FFADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000174455230 510123395 /nfs/dbraw/zinc/12/33/95/510123395.db2.gz CVVMNFDCEBZUSN-SFHVURJKSA-N 1 3 374.554 2.616 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000261946702 510124994 /nfs/dbraw/zinc/12/49/94/510124994.db2.gz ONOXOOCTXZGCLJ-YZGWKJHDSA-N 1 3 355.526 2.888 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000174486464 510138293 /nfs/dbraw/zinc/13/82/93/510138293.db2.gz CJVCVEBIDQSUFY-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO COc1cc([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)ccc1S(C)(=O)=O ZINC000268973304 510169798 /nfs/dbraw/zinc/16/97/98/510169798.db2.gz GFEJYMUIUULJJZ-CQSZACIVSA-N 1 3 366.527 2.766 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc(Br)c1OC ZINC000187287652 510172336 /nfs/dbraw/zinc/17/23/36/510172336.db2.gz MLIJVYRVWJGFJC-AWEZNQCLSA-N 1 3 359.308 2.904 20 0 FFADHO C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262108396 510180637 /nfs/dbraw/zinc/18/06/37/510180637.db2.gz UKMUFNJTNKMAJP-ZBEGNZNMSA-N 1 3 359.451 2.777 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177687195 510199738 /nfs/dbraw/zinc/19/97/38/510199738.db2.gz BORJCINQFHBONT-WOJBJXKFSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177687195 510199743 /nfs/dbraw/zinc/19/97/43/510199743.db2.gz BORJCINQFHBONT-WOJBJXKFSA-N 1 3 357.542 2.930 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262220721 510213360 /nfs/dbraw/zinc/21/33/60/510213360.db2.gz MPLKEIXYDUKCKN-DOTOQJQBSA-N 1 3 351.441 2.704 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000194106251 510218099 /nfs/dbraw/zinc/21/80/99/510218099.db2.gz OFJYMHJNYGWBHU-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000194106251 510218109 /nfs/dbraw/zinc/21/81/09/510218109.db2.gz OFJYMHJNYGWBHU-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1Br ZINC000269070822 510221392 /nfs/dbraw/zinc/22/13/92/510221392.db2.gz XBUYXAZSYCVHIY-GFCCVEGCSA-N 1 3 357.292 2.565 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000245953364 510224757 /nfs/dbraw/zinc/22/47/57/510224757.db2.gz PXVUYIFFIAHWCK-FCEWJHQRSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000245953364 510224762 /nfs/dbraw/zinc/22/47/62/510224762.db2.gz PXVUYIFFIAHWCK-FCEWJHQRSA-N 1 3 371.529 2.531 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N(C)c1ccc(F)cc1 ZINC000190600804 510232493 /nfs/dbraw/zinc/23/24/93/510232493.db2.gz JXVZTRQXFHJIJN-SFHVURJKSA-N 1 3 350.482 2.730 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N(C)c1ccc(F)cc1 ZINC000190600804 510232497 /nfs/dbraw/zinc/23/24/97/510232497.db2.gz JXVZTRQXFHJIJN-SFHVURJKSA-N 1 3 350.482 2.730 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)c1ccc(F)cc1 ZINC000190600785 510233181 /nfs/dbraw/zinc/23/31/81/510233181.db2.gz JXVZTRQXFHJIJN-GOSISDBHSA-N 1 3 350.482 2.730 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)c1ccc(F)cc1 ZINC000190600785 510233188 /nfs/dbraw/zinc/23/31/88/510233188.db2.gz JXVZTRQXFHJIJN-GOSISDBHSA-N 1 3 350.482 2.730 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194166369 510246896 /nfs/dbraw/zinc/24/68/96/510246896.db2.gz HQQULPPNVOLZKO-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194166369 510246901 /nfs/dbraw/zinc/24/69/01/510246901.db2.gz HQQULPPNVOLZKO-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000194260098 510282919 /nfs/dbraw/zinc/28/29/19/510282919.db2.gz VMPDDNAFMQCDDN-UHFFFAOYSA-N 1 3 370.541 2.637 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000177921802 510328579 /nfs/dbraw/zinc/32/85/79/510328579.db2.gz GGBBWVRRQZADBZ-ATOXUGOLSA-N 1 3 373.541 2.754 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CNCc2cccc(OC)n2)CC1 ZINC000190778418 510340374 /nfs/dbraw/zinc/34/03/74/510340374.db2.gz NZMJUGFMCDKTLS-UHFFFAOYSA-N 1 3 354.498 2.518 20 0 FFADHO C[C@H]1CN(CC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000262644657 510349788 /nfs/dbraw/zinc/34/97/88/510349788.db2.gz IEBPAWJSAYUQAV-ROUUACIJSA-N 1 3 365.562 2.634 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000181324583 510356372 /nfs/dbraw/zinc/35/63/72/510356372.db2.gz BKOJUUZTGZFELD-QGZVFWFLSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(C(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C1CCCCC1 ZINC000246244908 510386868 /nfs/dbraw/zinc/38/68/68/510386868.db2.gz DSHWLEJLABNWMR-ROUUACIJSA-N 1 3 367.578 2.581 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246310460 510419721 /nfs/dbraw/zinc/41/97/21/510419721.db2.gz NPLLPOSFFKVVND-QRVBRYPASA-N 1 3 350.551 2.908 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246310460 510419731 /nfs/dbraw/zinc/41/97/31/510419731.db2.gz NPLLPOSFFKVVND-QRVBRYPASA-N 1 3 350.551 2.908 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266138662 510429361 /nfs/dbraw/zinc/42/93/61/510429361.db2.gz LIGXAXTULCRQOJ-SFHVURJKSA-N 1 3 359.514 2.575 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000246346879 510439565 /nfs/dbraw/zinc/43/95/65/510439565.db2.gz OUDUCUZBKSPHFW-NRSPTQNISA-N 1 3 372.557 2.533 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000246346879 510439570 /nfs/dbraw/zinc/43/95/70/510439570.db2.gz OUDUCUZBKSPHFW-NRSPTQNISA-N 1 3 372.557 2.533 20 0 FFADHO Cc1cc2ncc([C@H](C)[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)c(C)n2n1 ZINC000246380236 510455884 /nfs/dbraw/zinc/45/58/84/510455884.db2.gz JZBQMKCMFRUMPE-ULQDDVLXSA-N 1 3 359.518 2.886 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000262902806 510468393 /nfs/dbraw/zinc/46/83/93/510468393.db2.gz DTDVZHIGDVWYLD-PLOVASNDSA-N 1 3 365.562 2.632 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246403620 510468860 /nfs/dbraw/zinc/46/88/60/510468860.db2.gz DKRNVTGBYSHTHW-HMXCVIKNSA-N 1 3 368.525 2.695 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000246403620 510468864 /nfs/dbraw/zinc/46/88/64/510468864.db2.gz DKRNVTGBYSHTHW-HMXCVIKNSA-N 1 3 368.525 2.695 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000246423496 510482277 /nfs/dbraw/zinc/48/22/77/510482277.db2.gz NKVAUZNPAOHZJA-FXAWDEMLSA-N 1 3 373.545 2.670 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000246423496 510482284 /nfs/dbraw/zinc/48/22/84/510482284.db2.gz NKVAUZNPAOHZJA-FXAWDEMLSA-N 1 3 373.545 2.670 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000269705173 510519880 /nfs/dbraw/zinc/51/98/80/510519880.db2.gz QGVQHANHNGDTMZ-SFHVURJKSA-N 1 3 373.545 2.733 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000269705173 510519887 /nfs/dbraw/zinc/51/98/87/510519887.db2.gz QGVQHANHNGDTMZ-SFHVURJKSA-N 1 3 373.545 2.733 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181691697 510542508 /nfs/dbraw/zinc/54/25/08/510542508.db2.gz RFAMELJMCKYQGM-IRXDYDNUSA-N 1 3 354.535 2.930 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000246571733 510563435 /nfs/dbraw/zinc/56/34/35/510563435.db2.gz ODANHKNDQCAKCD-UMGGQSCQSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000246571733 510563441 /nfs/dbraw/zinc/56/34/41/510563441.db2.gz ODANHKNDQCAKCD-UMGGQSCQSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000246571724 510563900 /nfs/dbraw/zinc/56/39/00/510563900.db2.gz ODANHKNDQCAKCD-LFGUQSLTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000246571724 510563908 /nfs/dbraw/zinc/56/39/08/510563908.db2.gz ODANHKNDQCAKCD-LFGUQSLTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000263106893 510564004 /nfs/dbraw/zinc/56/40/04/510564004.db2.gz ZYAHBXFTAXKEFG-WMZOPIPTSA-N 1 3 353.576 2.762 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]([NH+](CC)CC)C3)c2)CC1 ZINC000184901464 510573487 /nfs/dbraw/zinc/57/34/87/510573487.db2.gz ONQDHSPWDLDEEM-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000185065279 510664093 /nfs/dbraw/zinc/66/40/93/510664093.db2.gz RXGUTTUMHZKWBY-MRXNPFEDSA-N 1 3 350.532 2.621 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000178669547 510712919 /nfs/dbraw/zinc/71/29/19/510712919.db2.gz ILHMALOEKXNFBX-KRWDZBQOSA-N 1 3 358.530 2.844 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c(OC)c1 ZINC000247027413 510805954 /nfs/dbraw/zinc/80/59/54/510805954.db2.gz LDGAAFVNMUNHDV-HRCADAONSA-N 1 3 363.502 2.883 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000247027413 510805961 /nfs/dbraw/zinc/80/59/61/510805961.db2.gz LDGAAFVNMUNHDV-HRCADAONSA-N 1 3 363.502 2.883 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([S@@](C)=O)cc1 ZINC000182264488 510837552 /nfs/dbraw/zinc/83/75/52/510837552.db2.gz MJSLWAFGXXBPQO-MKVPFSFESA-N 1 3 372.534 2.841 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([S@@](C)=O)cc1 ZINC000182264488 510837557 /nfs/dbraw/zinc/83/75/57/510837557.db2.gz MJSLWAFGXXBPQO-MKVPFSFESA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247161750 510847638 /nfs/dbraw/zinc/84/76/38/510847638.db2.gz XUYKMZRCHZXSLG-ILXRZTDVSA-N 1 3 373.339 2.513 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000247207793 510851772 /nfs/dbraw/zinc/85/17/72/510851772.db2.gz WTILCQSIXALAKK-HZPDHXFCSA-N 1 3 353.532 2.831 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)CC[C@H]3CCCCN3C)c2cc1C ZINC000247214817 510852500 /nfs/dbraw/zinc/85/25/00/510852500.db2.gz CNUBVYOBWWWDGG-RTBURBONSA-N 1 3 358.530 2.820 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[N@H+](C)CC[C@H]3CCCCN3C)c2cc1C ZINC000247214817 510852502 /nfs/dbraw/zinc/85/25/02/510852502.db2.gz CNUBVYOBWWWDGG-RTBURBONSA-N 1 3 358.530 2.820 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C1CC1 ZINC000247513771 510863895 /nfs/dbraw/zinc/86/38/95/510863895.db2.gz ZDFJUNQZKKHRIC-MAUKXSAKSA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C1CC1 ZINC000247513771 510863896 /nfs/dbraw/zinc/86/38/96/510863896.db2.gz ZDFJUNQZKKHRIC-MAUKXSAKSA-N 1 3 364.559 2.915 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)N(C)C)cc1 ZINC000297287168 510888255 /nfs/dbraw/zinc/88/82/55/510888255.db2.gz GRFDYXATZKFEHQ-PKOBYXMFSA-N 1 3 374.554 2.667 20 0 FFADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000294100355 510955364 /nfs/dbraw/zinc/95/53/64/510955364.db2.gz FFJHXSONVDUMEZ-SFHVURJKSA-N 1 3 354.498 2.520 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccccc2OCc2ccccn2)CC1(C)C ZINC000282524293 511012642 /nfs/dbraw/zinc/01/26/42/511012642.db2.gz YMTBYYPAABYGPC-UHFFFAOYSA-N 1 3 368.525 2.776 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCCO[C@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000364725235 511045259 /nfs/dbraw/zinc/04/52/59/511045259.db2.gz ZGGALQJXFCHBKB-GGPKGHCWSA-N 1 3 354.535 2.741 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000271213929 511122483 /nfs/dbraw/zinc/12/24/83/511122483.db2.gz LMUBYYUVPYAZFU-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000364865363 511124035 /nfs/dbraw/zinc/12/40/35/511124035.db2.gz JAOZFXQRMRLKDT-UHFFFAOYSA-N 1 3 351.494 2.639 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000364865363 511124039 /nfs/dbraw/zinc/12/40/39/511124039.db2.gz JAOZFXQRMRLKDT-UHFFFAOYSA-N 1 3 351.494 2.639 20 0 FFADHO Cc1nc(C2CC2)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000294747103 511163974 /nfs/dbraw/zinc/16/39/74/511163974.db2.gz OVCVHIPOWAXXRQ-UHFFFAOYSA-N 1 3 356.514 2.556 20 0 FFADHO CCN(Cc1ccccc1)C(=O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298221643 511213569 /nfs/dbraw/zinc/21/35/69/511213569.db2.gz ANRXVARKLDHBHE-UHFFFAOYSA-N 1 3 352.482 2.689 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000362703924 511219875 /nfs/dbraw/zinc/21/98/75/511219875.db2.gz RUCSRHSIPAKHCK-OXQOHEQNSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000362703924 511219880 /nfs/dbraw/zinc/21/98/80/511219880.db2.gz RUCSRHSIPAKHCK-OXQOHEQNSA-N 1 3 356.489 2.832 20 0 FFADHO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000271508302 511228205 /nfs/dbraw/zinc/22/82/05/511228205.db2.gz ODNUGKKJGPVYTH-QGZVFWFLSA-N 1 3 373.497 2.999 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000291581135 511255158 /nfs/dbraw/zinc/25/51/58/511255158.db2.gz FGCWVJGLWBMSEJ-JOCHJYFZSA-N 1 3 370.541 2.697 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000291581135 511255165 /nfs/dbraw/zinc/25/51/65/511255165.db2.gz FGCWVJGLWBMSEJ-JOCHJYFZSA-N 1 3 370.541 2.697 20 0 FFADHO CCCN[C@@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000295232052 511330711 /nfs/dbraw/zinc/33/07/11/511330711.db2.gz RYLHIWAMGUFFRR-AWEZNQCLSA-N 1 3 350.482 2.683 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OCC)c(C)[nH]2)[C@H](C)C1 ZINC000295251749 511337712 /nfs/dbraw/zinc/33/77/12/511337712.db2.gz UGTOYSMPHYEUSC-DNVCBOLYSA-N 1 3 365.518 2.726 20 0 FFADHO C[C@@H]1C[C@@H](NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[C@H](C)O1 ZINC000295270943 511344745 /nfs/dbraw/zinc/34/47/45/511344745.db2.gz VQQLOWANFYIINJ-LLGFUMIMSA-N 1 3 362.514 2.832 20 0 FFADHO C[C@@H]1C[C@@H](NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[C@H](C)O1 ZINC000295270943 511344752 /nfs/dbraw/zinc/34/47/52/511344752.db2.gz VQQLOWANFYIINJ-LLGFUMIMSA-N 1 3 362.514 2.832 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000295318443 511360789 /nfs/dbraw/zinc/36/07/89/511360789.db2.gz WPDBJDDQFZWPAM-WMLDXEAASA-N 1 3 357.420 2.685 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000298689510 511375406 /nfs/dbraw/zinc/37/54/06/511375406.db2.gz ZYRMVEPVSWZBSI-HXUWFJFHSA-N 1 3 358.530 2.949 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000333876056 511379142 /nfs/dbraw/zinc/37/91/42/511379142.db2.gz VIPDXXSGIMROPH-YESZJQIVSA-N 1 3 355.482 2.716 20 0 FFADHO CN1CCC(CC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000291939000 511398635 /nfs/dbraw/zinc/39/86/35/511398635.db2.gz MSRWDBJRLRBUKN-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC(CC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000291939000 511398643 /nfs/dbraw/zinc/39/86/43/511398643.db2.gz MSRWDBJRLRBUKN-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363439165 511552130 /nfs/dbraw/zinc/55/21/30/511552130.db2.gz BMHMJULVZYRGBB-UYAOXDASSA-N 1 3 359.489 2.734 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363439165 511552135 /nfs/dbraw/zinc/55/21/35/511552135.db2.gz BMHMJULVZYRGBB-UYAOXDASSA-N 1 3 359.489 2.734 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000365626516 511567751 /nfs/dbraw/zinc/56/77/51/511567751.db2.gz NZVFZXVGFIAQMD-LJQANCHMSA-N 1 3 358.530 2.843 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365758027 511639051 /nfs/dbraw/zinc/63/90/51/511639051.db2.gz GSFFYPZSVIMLOI-LEWJYISDSA-N 1 3 367.537 2.841 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365758027 511639057 /nfs/dbraw/zinc/63/90/57/511639057.db2.gz GSFFYPZSVIMLOI-LEWJYISDSA-N 1 3 367.537 2.841 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000274160925 511738508 /nfs/dbraw/zinc/73/85/08/511738508.db2.gz IACVMIOKDFWFSV-ZMWHVPEISA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000274160925 511738515 /nfs/dbraw/zinc/73/85/15/511738515.db2.gz IACVMIOKDFWFSV-ZMWHVPEISA-N 1 3 370.541 2.821 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000310984118 511773833 /nfs/dbraw/zinc/77/38/33/511773833.db2.gz GLRIMBJMMUQROX-RBUKOAKNSA-N 1 3 360.523 2.737 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000310984118 511773839 /nfs/dbraw/zinc/77/38/39/511773839.db2.gz GLRIMBJMMUQROX-RBUKOAKNSA-N 1 3 360.523 2.737 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000312646791 511786281 /nfs/dbraw/zinc/78/62/81/511786281.db2.gz FAADYFJWGHIPHS-UYZIEWPDSA-N 1 3 373.541 2.546 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000312646791 511786285 /nfs/dbraw/zinc/78/62/85/511786285.db2.gz FAADYFJWGHIPHS-UYZIEWPDSA-N 1 3 373.541 2.546 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H]1c1ccccc1 ZINC000296552927 511794874 /nfs/dbraw/zinc/79/48/74/511794874.db2.gz RHDKTUJLFMDSEO-UXHICEINSA-N 1 3 356.514 2.748 20 0 FFADHO OC[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000293224184 511887288 /nfs/dbraw/zinc/88/72/88/511887288.db2.gz RVGMFVLCPJIZDD-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000293224184 511887295 /nfs/dbraw/zinc/88/72/95/511887295.db2.gz RVGMFVLCPJIZDD-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@H](CO)CC3)c2)CC1 ZINC000293224184 511887302 /nfs/dbraw/zinc/88/73/02/511887302.db2.gz RVGMFVLCPJIZDD-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OC[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@H](CO)CC3)c2)CC1 ZINC000293224184 511887309 /nfs/dbraw/zinc/88/73/09/511887309.db2.gz RVGMFVLCPJIZDD-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000297163576 512043837 /nfs/dbraw/zinc/04/38/37/512043837.db2.gz CYMFUXLLGSPYEK-KJJMTIBFSA-N 1 3 357.542 2.618 20 0 FFADHO OCCCN1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000297163576 512043840 /nfs/dbraw/zinc/04/38/40/512043840.db2.gz CYMFUXLLGSPYEK-KJJMTIBFSA-N 1 3 357.542 2.618 20 0 FFADHO OCCCN1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000297163576 512043844 /nfs/dbraw/zinc/04/38/44/512043844.db2.gz CYMFUXLLGSPYEK-KJJMTIBFSA-N 1 3 357.542 2.618 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000359941571 512056204 /nfs/dbraw/zinc/05/62/04/512056204.db2.gz MGYKAAFREZHXML-FQEVSTJZSA-N 1 3 356.514 2.531 20 0 FFADHO Cc1ccc(C(=O)CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000364351316 512096619 /nfs/dbraw/zinc/09/66/19/512096619.db2.gz FGULJLYRRNXJJB-UHFFFAOYSA-N 1 3 357.542 2.917 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3cc(F)cc4cccnc43)CC2)CC1 ZINC000369509973 512445296 /nfs/dbraw/zinc/44/52/96/512445296.db2.gz BPEVFDPNYONUEO-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369584312 512496069 /nfs/dbraw/zinc/49/60/69/512496069.db2.gz XPMNQBZQPVJNDR-PMACEKPBSA-N 1 3 356.514 2.703 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369584312 512496074 /nfs/dbraw/zinc/49/60/74/512496074.db2.gz XPMNQBZQPVJNDR-PMACEKPBSA-N 1 3 356.514 2.703 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@@H+]1C ZINC000377899394 512503728 /nfs/dbraw/zinc/50/37/28/512503728.db2.gz BWRDLZIXJXXUKY-IRXDYDNUSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NCC2(N3CCSCC3)CCCCC2)CC[N@H+]1C ZINC000377899394 512503731 /nfs/dbraw/zinc/50/37/31/512503731.db2.gz BWRDLZIXJXXUKY-IRXDYDNUSA-N 1 3 353.576 2.585 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373921997 512572829 /nfs/dbraw/zinc/57/28/29/512572829.db2.gz JVIKKIZDGGIJNP-MSOLQXFVSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373921997 512572833 /nfs/dbraw/zinc/57/28/33/512572833.db2.gz JVIKKIZDGGIJNP-MSOLQXFVSA-N 1 3 362.493 2.526 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000378203831 512638982 /nfs/dbraw/zinc/63/89/82/512638982.db2.gz SMCOWCZJDRWSBI-QGZVFWFLSA-N 1 3 363.505 2.825 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411550398 512684751 /nfs/dbraw/zinc/68/47/51/512684751.db2.gz KQRYXGBGZAVEOT-MJGOQNOKSA-N 1 3 374.529 2.604 20 0 FFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000376231707 512722389 /nfs/dbraw/zinc/72/23/89/512722389.db2.gz JKHDXFKAFDZHSX-LVCYWYKZSA-N 1 3 359.514 2.999 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000370008418 512724971 /nfs/dbraw/zinc/72/49/71/512724971.db2.gz LMRIRFYBQWJREQ-GOSISDBHSA-N 1 3 370.541 2.919 20 0 FFADHO CCO[C@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000411633608 512729098 /nfs/dbraw/zinc/72/90/98/512729098.db2.gz SLNROTGOIFIZIK-OALUTQOASA-N 1 3 365.562 2.693 20 0 FFADHO COC[C@@]1(C(=O)OC)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411798765 512817590 /nfs/dbraw/zinc/81/75/90/512817590.db2.gz SNJUTYNDQHZYRN-OAQYLSRUSA-N 1 3 360.498 2.684 20 0 FFADHO Cn1ncc2c1CCCN(CCCCC[N@@H+]1CCCc3c(cnn3C)C1)C2 ZINC000411863817 512850077 /nfs/dbraw/zinc/85/00/77/512850077.db2.gz ZZICZVQJLDAJOV-UHFFFAOYSA-N 1 3 370.545 2.521 20 0 FFADHO Cn1ncc2c1CCCN(CCCCC[N@H+]1CCCc3c(cnn3C)C1)C2 ZINC000411863817 512850081 /nfs/dbraw/zinc/85/00/81/512850081.db2.gz ZZICZVQJLDAJOV-UHFFFAOYSA-N 1 3 370.545 2.521 20 0 FFADHO CN(C(=O)[C@H]1CNCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000380520531 512873154 /nfs/dbraw/zinc/87/31/54/512873154.db2.gz BLUADDUCHGEAJW-QFIPXVFZSA-N 1 3 363.505 2.996 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374597521 512908976 /nfs/dbraw/zinc/90/89/76/512908976.db2.gz TULGZHXQZLSBAN-HLAWJBBLSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374597521 512908979 /nfs/dbraw/zinc/90/89/79/512908979.db2.gz TULGZHXQZLSBAN-HLAWJBBLSA-N 1 3 370.541 2.681 20 0 FFADHO O=C1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@H]2CCCCN12 ZINC000394433078 512936456 /nfs/dbraw/zinc/93/64/56/512936456.db2.gz YMUZMOCFIOPAHP-XKRYSZRTSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@H]2CCCCN12 ZINC000394433078 512936458 /nfs/dbraw/zinc/93/64/58/512936458.db2.gz YMUZMOCFIOPAHP-XKRYSZRTSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@@H]2CCCCN12 ZINC000394433078 512936460 /nfs/dbraw/zinc/93/64/60/512936460.db2.gz YMUZMOCFIOPAHP-XKRYSZRTSA-N 1 3 353.510 2.640 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000412067501 512941338 /nfs/dbraw/zinc/94/13/38/512941338.db2.gz HHAHEFZJTVKFND-SJORKVTESA-N 1 3 353.551 2.547 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C12CCC2 ZINC000397529903 512947773 /nfs/dbraw/zinc/94/77/73/512947773.db2.gz YSVGHYGLYWYAHQ-UXHICEINSA-N 1 3 358.526 2.951 20 0 FFADHO CCC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000376760289 512975692 /nfs/dbraw/zinc/97/56/92/512975692.db2.gz JSANLWDISRJRAD-IBGZPJMESA-N 1 3 358.530 2.640 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000374765661 512991566 /nfs/dbraw/zinc/99/15/66/512991566.db2.gz KXAZLZBZEUZDCC-SJBKTWHCSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000370632490 513024441 /nfs/dbraw/zinc/02/44/41/513024441.db2.gz BEBXFDIPPYHART-IEBWSBKVSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CCC(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374912879 513068550 /nfs/dbraw/zinc/06/85/50/513068550.db2.gz GBVASMSRVIJHKV-NJDAHSKKSA-N 1 3 355.526 2.745 20 0 FFADHO CN1CCC(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374912879 513068554 /nfs/dbraw/zinc/06/85/54/513068554.db2.gz GBVASMSRVIJHKV-NJDAHSKKSA-N 1 3 355.526 2.745 20 0 FFADHO NC1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)Cc2ccccc2C1 ZINC000370766262 513091019 /nfs/dbraw/zinc/09/10/19/513091019.db2.gz KHAZALVSFCLUNN-UHFFFAOYSA-N 1 3 355.526 2.644 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000424432405 513142517 /nfs/dbraw/zinc/14/25/17/513142517.db2.gz HIGCQCPMBRPYCA-IAGOWNOFSA-N 1 3 374.529 2.807 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560647 513161782 /nfs/dbraw/zinc/16/17/82/513161782.db2.gz QKXRNTXXBZZSCU-SFHVURJKSA-N 1 3 351.466 2.619 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[NH2+]1 ZINC000417689761 513163992 /nfs/dbraw/zinc/16/39/92/513163992.db2.gz UFYWCWXGONEUAW-UXPWSPDFSA-N 1 3 372.557 2.899 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417690017 513164523 /nfs/dbraw/zinc/16/45/23/513164523.db2.gz KRRMDLPVPKQVKT-AOIWGVFYSA-N 1 3 358.530 2.838 20 0 FFADHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428703995 513168763 /nfs/dbraw/zinc/16/87/63/513168763.db2.gz YVKOMWBZPHMTOB-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428703995 513168766 /nfs/dbraw/zinc/16/87/66/513168766.db2.gz YVKOMWBZPHMTOB-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO COc1cc(OCCN(C)C)ccc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000412572943 513169867 /nfs/dbraw/zinc/16/98/67/513169867.db2.gz MISBCMHQXMZWQL-MRXNPFEDSA-N 1 3 363.502 2.839 20 0 FFADHO COc1cc(OCCN(C)C)ccc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000412572943 513169872 /nfs/dbraw/zinc/16/98/72/513169872.db2.gz MISBCMHQXMZWQL-MRXNPFEDSA-N 1 3 363.502 2.839 20 0 FFADHO N[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000417702940 513170883 /nfs/dbraw/zinc/17/08/83/513170883.db2.gz JNZSJSUSMOWGMJ-VQTJNVASSA-N 1 3 358.530 2.779 20 0 FFADHO CN(C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000417730221 513184059 /nfs/dbraw/zinc/18/40/59/513184059.db2.gz DGRSROYRCIARJO-PBHICJAKSA-N 1 3 350.532 2.524 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H](C)CN1 ZINC000417738254 513188502 /nfs/dbraw/zinc/18/85/02/513188502.db2.gz OQBWKWRGTYGJFW-AIANPOQGSA-N 1 3 350.532 2.523 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H](C)CN1 ZINC000417738254 513188506 /nfs/dbraw/zinc/18/85/06/513188506.db2.gz OQBWKWRGTYGJFW-AIANPOQGSA-N 1 3 350.532 2.523 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000417743714 513192353 /nfs/dbraw/zinc/19/23/53/513192353.db2.gz XNXAVDHVCZOZJB-BQFCYCMXSA-N 1 3 364.559 2.772 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433961368 513199912 /nfs/dbraw/zinc/19/99/12/513199912.db2.gz IFNIOYKOZPTDKV-PKOBYXMFSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433961368 513199917 /nfs/dbraw/zinc/19/99/17/513199917.db2.gz IFNIOYKOZPTDKV-PKOBYXMFSA-N 1 3 350.551 2.671 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417781605 513206109 /nfs/dbraw/zinc/20/61/09/513206109.db2.gz KCXFHCWGJMWEFI-UHFFFAOYSA-N 1 3 361.530 2.711 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417814432 513218825 /nfs/dbraw/zinc/21/88/25/513218825.db2.gz AYWMLXXLRGYSBC-YZGWKJHDSA-N 1 3 358.530 2.728 20 0 FFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000417823703 513221847 /nfs/dbraw/zinc/22/18/47/513221847.db2.gz JXNBSTWPDAADOB-NRFANRHFSA-N 1 3 366.509 2.740 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446267499 513223188 /nfs/dbraw/zinc/22/31/88/513223188.db2.gz SJPLSBHBTZWKKX-XQBPLPMBSA-N 1 3 373.541 2.676 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446267499 513223194 /nfs/dbraw/zinc/22/31/94/513223194.db2.gz SJPLSBHBTZWKKX-XQBPLPMBSA-N 1 3 373.541 2.676 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000417827444 513224874 /nfs/dbraw/zinc/22/48/74/513224874.db2.gz NYLJVIWGSZMEQH-SFHVURJKSA-N 1 3 354.498 2.725 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446287009 513227730 /nfs/dbraw/zinc/22/77/30/513227730.db2.gz GMXUWXMVFCTAPR-WOIUINJBSA-N 1 3 373.541 2.677 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417888865 513256736 /nfs/dbraw/zinc/25/67/36/513256736.db2.gz JCWDRLOIYKVCQW-NMDDUFOESA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417888865 513256740 /nfs/dbraw/zinc/25/67/40/513256740.db2.gz JCWDRLOIYKVCQW-NMDDUFOESA-N 1 3 358.530 2.535 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCC2([NH+](C)C)CCC2)N2CCCC2)c1 ZINC000446569309 513283346 /nfs/dbraw/zinc/28/33/46/513283346.db2.gz MNJLISGLCWYOSI-IBGZPJMESA-N 1 3 374.529 2.616 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000434338790 513293210 /nfs/dbraw/zinc/29/32/10/513293210.db2.gz PUNHAEPNTUDRAT-ZWOKBUDYSA-N 1 3 362.562 2.956 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000434338790 513293211 /nfs/dbraw/zinc/29/32/11/513293211.db2.gz PUNHAEPNTUDRAT-ZWOKBUDYSA-N 1 3 362.562 2.956 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418027362 513340561 /nfs/dbraw/zinc/34/05/61/513340561.db2.gz GJOBPYFAVDVZPC-AZUAARDMSA-N 1 3 360.546 2.832 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418027367 513340900 /nfs/dbraw/zinc/34/09/00/513340900.db2.gz GJOBPYFAVDVZPC-UYAOXDASSA-N 1 3 360.546 2.832 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418034294 513345493 /nfs/dbraw/zinc/34/54/93/513345493.db2.gz OFSKONAPJGMNQX-MHTWAQMVSA-N 1 3 372.557 2.830 20 0 FFADHO C[C@@]1(CNC(=O)NCCC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000418037522 513346525 /nfs/dbraw/zinc/34/65/25/513346525.db2.gz DKCZXPAHBYPKIQ-CTNGQTDRSA-N 1 3 358.530 2.873 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418093706 513369334 /nfs/dbraw/zinc/36/93/34/513369334.db2.gz CFTLEXLRAZNRMS-SQNIBIBYSA-N 1 3 350.551 2.671 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418148786 513391037 /nfs/dbraw/zinc/39/10/37/513391037.db2.gz AILSNGLGIKXIQI-UFYCRDLUSA-N 1 3 370.541 2.681 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccco1 ZINC000418165440 513400853 /nfs/dbraw/zinc/40/08/53/513400853.db2.gz JJVBJORUATXBQS-KFKAGJAMSA-N 1 3 370.497 2.895 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000418196311 513416585 /nfs/dbraw/zinc/41/65/85/513416585.db2.gz RBUYGHBOJPHSIA-VDGAXYAQSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2=CC[NH2+]CC2)N(C)C)cc1 ZINC000418199833 513417696 /nfs/dbraw/zinc/41/76/96/513417696.db2.gz XSYTYFIFJQDVDL-HXUWFJFHSA-N 1 3 358.530 2.707 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418203251 513419931 /nfs/dbraw/zinc/41/99/31/513419931.db2.gz KBZWSKBWFCBFSR-QUCCMNQESA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000418210108 513423163 /nfs/dbraw/zinc/42/31/63/513423163.db2.gz SFTILOJRVLCTBG-CRAIPNDOSA-N 1 3 350.507 2.503 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000415812592 513432625 /nfs/dbraw/zinc/43/26/25/513432625.db2.gz YXTUEHYUFIFMNL-UHFFFAOYSA-N 1 3 354.882 2.672 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCCCC2)N(C)C)cc1 ZINC000418233034 513433249 /nfs/dbraw/zinc/43/32/49/513433249.db2.gz NOZUJXZCAVLGKZ-QGZVFWFLSA-N 1 3 364.559 2.972 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000418236254 513434724 /nfs/dbraw/zinc/43/47/24/513434724.db2.gz UOBWWXXYZVDXBP-KRWDZBQOSA-N 1 3 364.559 2.700 20 0 FFADHO COC1([C@H](C)[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000421868448 513454866 /nfs/dbraw/zinc/45/48/66/513454866.db2.gz QODZZAPJRCMJNN-SJORKVTESA-N 1 3 350.503 2.862 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000441011491 513459256 /nfs/dbraw/zinc/45/92/56/513459256.db2.gz KGLHTCHMAHGVTF-OALUTQOASA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000441011491 513459263 /nfs/dbraw/zinc/45/92/63/513459263.db2.gz KGLHTCHMAHGVTF-OALUTQOASA-N 1 3 362.562 2.959 20 0 FFADHO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000447390305 513464262 /nfs/dbraw/zinc/46/42/62/513464262.db2.gz FZJMVERLUORWBC-CTNGQTDRSA-N 1 3 361.530 2.687 20 0 FFADHO CCC[C@@]1(COC)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000447390305 513464266 /nfs/dbraw/zinc/46/42/66/513464266.db2.gz FZJMVERLUORWBC-CTNGQTDRSA-N 1 3 361.530 2.687 20 0 FFADHO C[NH2+]CCNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418334478 513468960 /nfs/dbraw/zinc/46/89/60/513468960.db2.gz UENOSUYCWCBKDC-UHFFFAOYSA-N 1 3 373.328 2.820 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000418345766 513476040 /nfs/dbraw/zinc/47/60/40/513476040.db2.gz PHPVDAABKISOQH-VIQWUECVSA-N 1 3 350.551 2.528 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000418350148 513476786 /nfs/dbraw/zinc/47/67/86/513476786.db2.gz KWNYUPVFDAKEKL-HXUWFJFHSA-N 1 3 369.513 2.684 20 0 FFADHO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cccc(CN(C)C)c1 ZINC000447435819 513477327 /nfs/dbraw/zinc/47/73/27/513477327.db2.gz RIVZGWUITIGIRR-KRWDZBQOSA-N 1 3 372.538 2.765 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415943025 513491419 /nfs/dbraw/zinc/49/14/19/513491419.db2.gz CSPHMLWGZJEZHP-MRXNPFEDSA-N 1 3 356.470 2.666 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)[C@H]1c1ccccc1 ZINC000415948061 513493818 /nfs/dbraw/zinc/49/38/18/513493818.db2.gz TTWXPBIHNAQQRD-RBUKOAKNSA-N 1 3 354.454 2.591 20 0 FFADHO COc1ccc2nc3c(c(N4CCC([NH2+]CCO)CC4)c2c1)CCCC3 ZINC000413198234 513516045 /nfs/dbraw/zinc/51/60/45/513516045.db2.gz BWYHZJFXGVQHFZ-UHFFFAOYSA-N 1 3 355.482 2.673 20 0 FFADHO COCCO[C@@H]1COCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603022 513520854 /nfs/dbraw/zinc/52/08/54/513520854.db2.gz VASBQSLWMUVNSJ-LILSUDLASA-N 1 3 374.525 2.592 20 0 FFADHO COCCO[C@@H]1COCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603022 513520863 /nfs/dbraw/zinc/52/08/63/513520863.db2.gz VASBQSLWMUVNSJ-LILSUDLASA-N 1 3 374.525 2.592 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418482497 513528282 /nfs/dbraw/zinc/52/82/82/513528282.db2.gz DZHOMSQKWGURMO-YSGRDPCXSA-N 1 3 354.498 2.821 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418482497 513528286 /nfs/dbraw/zinc/52/82/86/513528286.db2.gz DZHOMSQKWGURMO-YSGRDPCXSA-N 1 3 354.498 2.821 20 0 FFADHO NC[C@@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000418495661 513532745 /nfs/dbraw/zinc/53/27/45/513532745.db2.gz BRCAKHQBIPICSE-JXXFODFXSA-N 1 3 354.498 2.904 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416011104 513537863 /nfs/dbraw/zinc/53/78/63/513537863.db2.gz RAXKAAOFLCQRLR-CJNGLKHVSA-N 1 3 372.435 2.791 20 0 FFADHO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)N(C)C ZINC000413261074 513553465 /nfs/dbraw/zinc/55/34/65/513553465.db2.gz IGIFVEHCXWXFKC-MRXNPFEDSA-N 1 3 359.436 2.936 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCCCCC1 ZINC000441400180 513560473 /nfs/dbraw/zinc/56/04/73/513560473.db2.gz WJBQIQDUPLGXDS-LMMKCTJWSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418592175 513569420 /nfs/dbraw/zinc/56/94/20/513569420.db2.gz LAALFYYUFZLGFE-LFGUQSLTSA-N 1 3 358.530 2.679 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418608104 513575096 /nfs/dbraw/zinc/57/50/96/513575096.db2.gz BFLIZPJBLRXEMB-FQEVSTJZSA-N 1 3 358.530 2.810 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425453711 513575852 /nfs/dbraw/zinc/57/58/52/513575852.db2.gz ZFUAHIQWKQOCRL-UWHLTILDSA-N 1 3 368.525 2.529 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425453711 513575858 /nfs/dbraw/zinc/57/58/58/513575858.db2.gz ZFUAHIQWKQOCRL-UWHLTILDSA-N 1 3 368.525 2.529 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000418609672 513576458 /nfs/dbraw/zinc/57/64/58/513576458.db2.gz COMZCQYMFYTFDT-XLIONFOSSA-N 1 3 358.530 2.810 20 0 FFADHO [NH3+]C[C@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)C1CCCC1 ZINC000418616482 513578352 /nfs/dbraw/zinc/57/83/52/513578352.db2.gz HQKOBRGEXRUGMK-NRFANRHFSA-N 1 3 372.557 2.854 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425474008 513584568 /nfs/dbraw/zinc/58/45/68/513584568.db2.gz KPTAFSKYRWENOY-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418671042 513605490 /nfs/dbraw/zinc/60/54/90/513605490.db2.gz LEWIKNVJVMDHPT-FQEVSTJZSA-N 1 3 369.513 2.635 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416171761 513620698 /nfs/dbraw/zinc/62/06/98/513620698.db2.gz RXORLBZHDFRLFG-UXHICEINSA-N 1 3 361.530 2.639 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418744541 513634751 /nfs/dbraw/zinc/63/47/51/513634751.db2.gz FDPOYAIRFPQRIX-NJYVYQBISA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425554682 513635888 /nfs/dbraw/zinc/63/58/88/513635888.db2.gz WXMYSSMGFPJMCR-YZGWKJHDSA-N 1 3 358.530 2.631 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425554682 513635897 /nfs/dbraw/zinc/63/58/97/513635897.db2.gz WXMYSSMGFPJMCR-YZGWKJHDSA-N 1 3 358.530 2.631 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418745291 513636036 /nfs/dbraw/zinc/63/60/36/513636036.db2.gz GJPRVYQLMBIUPC-NRFANRHFSA-N 1 3 372.557 2.869 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418749493 513637787 /nfs/dbraw/zinc/63/77/87/513637787.db2.gz MHALQYRETLCJEI-PMACEKPBSA-N 1 3 373.545 2.610 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418796855 513660972 /nfs/dbraw/zinc/66/09/72/513660972.db2.gz RNXVQPHRUYFFJL-XUVXKRRUSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418799178 513661244 /nfs/dbraw/zinc/66/12/44/513661244.db2.gz TWPBLYGNDQZILJ-GFOJFJKKSA-N 1 3 370.541 2.538 20 0 FFADHO COCC[C@]1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC[NH2+]C1 ZINC000435726587 513670284 /nfs/dbraw/zinc/67/02/84/513670284.db2.gz RBCOECLYKSNBFH-OAQYLSRUSA-N 1 3 370.497 2.990 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000430583284 513695855 /nfs/dbraw/zinc/69/58/55/513695855.db2.gz XKRKLGBARHTGQO-HXUWFJFHSA-N 1 3 357.502 2.781 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cccc(Br)c2)C1 ZINC000430586809 513695950 /nfs/dbraw/zinc/69/59/50/513695950.db2.gz ZJCANRDMFXMKSN-OLZOCXBDSA-N 1 3 354.292 2.837 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000430598885 513700401 /nfs/dbraw/zinc/70/04/01/513700401.db2.gz UTZHVLVUCJPGIR-UHFFFAOYSA-N 1 3 357.502 2.734 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000430598885 513700406 /nfs/dbraw/zinc/70/04/06/513700406.db2.gz UTZHVLVUCJPGIR-UHFFFAOYSA-N 1 3 357.502 2.734 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000430598885 513700413 /nfs/dbraw/zinc/70/04/13/513700413.db2.gz UTZHVLVUCJPGIR-UHFFFAOYSA-N 1 3 357.502 2.734 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000448203304 513707099 /nfs/dbraw/zinc/70/70/99/513707099.db2.gz XLSVEWGAVAWALT-CEXWTWQISA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000448203304 513707104 /nfs/dbraw/zinc/70/71/04/513707104.db2.gz XLSVEWGAVAWALT-CEXWTWQISA-N 1 3 352.567 2.917 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000448253904 513719882 /nfs/dbraw/zinc/71/98/82/513719882.db2.gz ZBXSOXIOHGNZRH-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCSc1ccc(Cl)cc1 ZINC000436060128 513749553 /nfs/dbraw/zinc/74/95/53/513749553.db2.gz MTASIYIUCQVYDY-HNNXBMFYSA-N 1 3 355.935 2.752 20 0 FFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C1(C)C ZINC000451494826 513787864 /nfs/dbraw/zinc/78/78/64/513787864.db2.gz JFSCQGIYGSSEMF-GUDVDZBRSA-N 1 3 361.530 2.587 20 0 FFADHO c1cnn(-c2ccc(CCNCc3cc(C4CC[NH2+]CC4)no3)cc2)c1 ZINC000425895272 513792243 /nfs/dbraw/zinc/79/22/43/513792243.db2.gz IBOSODVIVPWKHL-UHFFFAOYSA-N 1 3 351.454 2.660 20 0 FFADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000443063091 513858016 /nfs/dbraw/zinc/85/80/16/513858016.db2.gz VTVWPTYNLBSWHQ-GFCCVEGCSA-N 1 3 361.383 2.522 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@H](CC[NH3+])C1 ZINC000443061407 513859462 /nfs/dbraw/zinc/85/94/62/513859462.db2.gz RRLBSYDYHBLIDU-UONOGXRCSA-N 1 3 355.885 2.887 20 0 FFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422717949 513911916 /nfs/dbraw/zinc/91/19/16/513911916.db2.gz WMRKUCXWOMJZOA-FXAWDEMLSA-N 1 3 373.541 2.787 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422797930 513935697 /nfs/dbraw/zinc/93/56/97/513935697.db2.gz PCVODDSSSNWGRS-OIISXLGYSA-N 1 3 360.420 2.986 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000414081838 513969019 /nfs/dbraw/zinc/96/90/19/513969019.db2.gz VNFZNNGFLXSRKT-SFHVURJKSA-N 1 3 368.525 2.558 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416790353 513969164 /nfs/dbraw/zinc/96/91/64/513969164.db2.gz GIMWMJZLBBIUMI-FQEVSTJZSA-N 1 3 370.541 2.682 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1cccc(C(F)(F)F)c1 ZINC000422906770 513971516 /nfs/dbraw/zinc/97/15/16/513971516.db2.gz VRZUIPNUNWGTQL-LAVFITLUSA-N 1 3 372.431 2.955 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000416797746 513971826 /nfs/dbraw/zinc/97/18/26/513971826.db2.gz YXGNFVRBRIEGFC-VQTJNVASSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]([NH3+])C[C@@H](C)NCCC(=O)N(C)Cc1ccccc1Br ZINC000422912883 513974359 /nfs/dbraw/zinc/97/43/59/513974359.db2.gz XFUURRVJYVIULQ-CHWSQXEVSA-N 1 3 356.308 2.513 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCNCC[C@@H]3C)CC2)cs1 ZINC000422916000 513975461 /nfs/dbraw/zinc/97/54/61/513975461.db2.gz ZODZPRISHVEYCU-YJBOKZPZSA-N 1 3 350.576 2.895 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000431724594 513979794 /nfs/dbraw/zinc/97/97/94/513979794.db2.gz VBIRDVBQFFGCNY-OAQYLSRUSA-N 1 3 369.509 2.936 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422936310 513981731 /nfs/dbraw/zinc/98/17/31/513981731.db2.gz BIBBFDCNJDGIBI-QXAKKESOSA-N 1 3 351.922 2.820 20 0 FFADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422935811 513981916 /nfs/dbraw/zinc/98/19/16/513981916.db2.gz DVPPKDDARAPFHP-NWDGAFQWSA-N 1 3 373.291 2.625 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C[C@H]1C[NH3+] ZINC000416831343 513988537 /nfs/dbraw/zinc/98/85/37/513988537.db2.gz BAQOIGMQGOEJDY-BZUAXINKSA-N 1 3 350.532 2.511 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCC(=O)N1CCc2ccccc21 ZINC000422951884 513988989 /nfs/dbraw/zinc/98/89/89/513988989.db2.gz AQBIWAQHKNNXLG-FXAWDEMLSA-N 1 3 351.494 2.904 20 0 FFADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000416846862 513999826 /nfs/dbraw/zinc/99/98/26/513999826.db2.gz UTBZKHBLSIXLLI-VQTJNVASSA-N 1 3 370.541 2.681 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)N(C)C)cc1OC ZINC000422990206 513999879 /nfs/dbraw/zinc/99/98/79/513999879.db2.gz NGLXDUWDUYLMGO-VDGAXYAQSA-N 1 3 371.525 2.855 20 0 FFADHO COc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1OC ZINC000422990206 513999886 /nfs/dbraw/zinc/99/98/86/513999886.db2.gz NGLXDUWDUYLMGO-VDGAXYAQSA-N 1 3 371.525 2.855 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422994947 514003652 /nfs/dbraw/zinc/00/36/52/514003652.db2.gz WPVRUAQMIDBGOB-FRFSOERESA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422994947 514003659 /nfs/dbraw/zinc/00/36/59/514003659.db2.gz WPVRUAQMIDBGOB-FRFSOERESA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000414195337 514006904 /nfs/dbraw/zinc/00/69/04/514006904.db2.gz NZJFWUKNLHCZCB-MRXNPFEDSA-N 1 3 363.571 2.684 20 0 FFADHO C[C@H](CCc1cccc(F)c1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414199122 514008060 /nfs/dbraw/zinc/00/80/60/514008060.db2.gz QPBFOKOUOZLRNW-GOSISDBHSA-N 1 3 363.521 2.533 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H](C)C1CCCCC1 ZINC000414197094 514008096 /nfs/dbraw/zinc/00/80/96/514008096.db2.gz PEQRRKDOLSZIJB-MOPGFXCFSA-N 1 3 351.579 2.978 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N2CCCC2)c1 ZINC000416861100 514010383 /nfs/dbraw/zinc/01/03/83/514010383.db2.gz WMIRXRLTTHCIBP-PKOBYXMFSA-N 1 3 362.518 2.505 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)(N2CCOCC2)CC1 ZINC000414207667 514012267 /nfs/dbraw/zinc/01/22/67/514012267.db2.gz ZSMFJDITHIIDIP-NHCUHLMSSA-N 1 3 371.569 2.955 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cn(-c3ccccc3)nc2C)CC[NH2+]CC1 ZINC000423037977 514015154 /nfs/dbraw/zinc/01/51/54/514015154.db2.gz XGMDMLDGAUHRCD-KRWDZBQOSA-N 1 3 370.497 2.592 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cn(C(C)(C)C)nc2C)CC[NH2+]CC1 ZINC000423046214 514018313 /nfs/dbraw/zinc/01/83/13/514018313.db2.gz FDVXAMNQIJCVKL-GOEBONIOSA-N 1 3 364.534 2.919 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000423060208 514022547 /nfs/dbraw/zinc/02/25/47/514022547.db2.gz HPXCSIKVVMBIHY-YXWQFLTLSA-N 1 3 357.420 2.626 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000416918271 514045190 /nfs/dbraw/zinc/04/51/90/514045190.db2.gz IXLROAJGZYZFCT-SZVBFZGTSA-N 1 3 362.518 2.505 20 0 FFADHO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1OC ZINC000423141323 514057829 /nfs/dbraw/zinc/05/78/29/514057829.db2.gz PIZCFCPHQYCIJV-OPYAIIAOSA-N 1 3 356.466 2.732 20 0 FFADHO COC(=O)COC[C@H](C)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000449082771 514064810 /nfs/dbraw/zinc/06/48/10/514064810.db2.gz PURHSVSRYVHJBI-BZSNNMDCSA-N 1 3 362.514 2.832 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC000416966950 514072675 /nfs/dbraw/zinc/07/26/75/514072675.db2.gz GAWAZSOLWQIBOZ-KURKYZTESA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN[C@H](C)[C@@H]2C)C1 ZINC000416966950 514072681 /nfs/dbraw/zinc/07/26/81/514072681.db2.gz GAWAZSOLWQIBOZ-KURKYZTESA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC000416966952 514073060 /nfs/dbraw/zinc/07/30/60/514073060.db2.gz GAWAZSOLWQIBOZ-SQNIBIBYSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN[C@@H](C)[C@@H]2C)C1 ZINC000416966952 514073066 /nfs/dbraw/zinc/07/30/66/514073066.db2.gz GAWAZSOLWQIBOZ-SQNIBIBYSA-N 1 3 358.530 2.810 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416970262 514075285 /nfs/dbraw/zinc/07/52/85/514075285.db2.gz DPTHLXDWPKOAJN-QUCCMNQESA-N 1 3 358.530 2.510 20 0 FFADHO C[C@@](C[NH3+])(NCCC(=O)NC(c1ccccc1)c1ccccc1)C1CC1 ZINC000420293521 514076434 /nfs/dbraw/zinc/07/64/34/514076434.db2.gz RFBUVKORKYBCSV-QFIPXVFZSA-N 1 3 351.494 2.999 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000416972538 514078879 /nfs/dbraw/zinc/07/88/79/514078879.db2.gz IQBSDSPPTYXGDF-OAQYLSRUSA-N 1 3 366.509 2.959 20 0 FFADHO COc1cccc(C2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)c1 ZINC000420305659 514082522 /nfs/dbraw/zinc/08/25/22/514082522.db2.gz PSUVNYSUNISMEF-VXKWHMMOSA-N 1 3 354.494 2.806 20 0 FFADHO COc1cccc(C2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)c1 ZINC000420305659 514082525 /nfs/dbraw/zinc/08/25/25/514082525.db2.gz PSUVNYSUNISMEF-VXKWHMMOSA-N 1 3 354.494 2.806 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000420309858 514084767 /nfs/dbraw/zinc/08/47/67/514084767.db2.gz UFCQSDMKNOVOPF-NQIIRXRSSA-N 1 3 362.514 2.788 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000420309858 514084775 /nfs/dbraw/zinc/08/47/75/514084775.db2.gz UFCQSDMKNOVOPF-NQIIRXRSSA-N 1 3 362.514 2.788 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417008183 514114156 /nfs/dbraw/zinc/11/41/56/514114156.db2.gz IHSYDNYZSUZXOO-LEWJYISDSA-N 1 3 366.509 2.823 20 0 FFADHO Cc1nn(-c2cccc(F)c2)cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000414437951 514116125 /nfs/dbraw/zinc/11/61/25/514116125.db2.gz CJLGAOUZTXFQER-UHFFFAOYSA-N 1 3 361.509 2.635 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000423361384 514116897 /nfs/dbraw/zinc/11/68/97/514116897.db2.gz RXBWQYMBLFNNIX-GOSISDBHSA-N 1 3 360.502 2.813 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc3c(c2)C[NH2+]C3)c(OC)c1 ZINC000423366574 514117504 /nfs/dbraw/zinc/11/75/04/514117504.db2.gz XXTJPOASKDTTLO-AWEZNQCLSA-N 1 3 369.465 2.814 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)CNC3)c(OC)c1 ZINC000423366574 514117508 /nfs/dbraw/zinc/11/75/08/514117508.db2.gz XXTJPOASKDTTLO-AWEZNQCLSA-N 1 3 369.465 2.814 20 0 FFADHO N[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C1CCC1 ZINC000423378993 514121603 /nfs/dbraw/zinc/12/16/03/514121603.db2.gz COWHQNBBYWJJKQ-LJQANCHMSA-N 1 3 358.486 2.567 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423376374 514121877 /nfs/dbraw/zinc/12/18/77/514121877.db2.gz DNCQGMBGDIOQEM-WBVHZDCISA-N 1 3 357.420 2.634 20 0 FFADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420387357 514122881 /nfs/dbraw/zinc/12/28/81/514122881.db2.gz VTNDLGLRSAFRIM-DOMZBBRYSA-N 1 3 351.401 2.736 20 0 FFADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420387357 514122885 /nfs/dbraw/zinc/12/28/85/514122885.db2.gz VTNDLGLRSAFRIM-DOMZBBRYSA-N 1 3 351.401 2.736 20 0 FFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CCCN1 ZINC000423408366 514132548 /nfs/dbraw/zinc/13/25/48/514132548.db2.gz AEZZEMYOILMENB-BLLLJJGKSA-N 1 3 359.283 2.877 20 0 FFADHO COC[C@@]1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCCN1 ZINC000423411083 514132961 /nfs/dbraw/zinc/13/29/61/514132961.db2.gz DZNTXPWBKVGNRH-YOEHRIQHSA-N 1 3 353.304 2.665 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2)(N2CCOCC2)CC1 ZINC000414482549 514144556 /nfs/dbraw/zinc/14/45/56/514144556.db2.gz LZKMZMAIOMJHBI-UHFFFAOYSA-N 1 3 371.447 2.592 20 0 FFADHO CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423460266 514146554 /nfs/dbraw/zinc/14/65/54/514146554.db2.gz RUMHKQUSUQYINA-LMMKCTJWSA-N 1 3 351.441 2.652 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(OCCO)CCOCC2)CC1 ZINC000449304810 514155033 /nfs/dbraw/zinc/15/50/33/514155033.db2.gz CJKCWXCZJSKRMI-UHFFFAOYSA-N 1 3 370.578 2.813 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417089899 514163109 /nfs/dbraw/zinc/16/31/09/514163109.db2.gz SJVOFDOPOJCCCV-APWZRJJASA-N 1 3 358.530 2.735 20 0 FFADHO CC1CC[NH+](CCC[C@@H](NC[C@@H]2CNCCO2)c2ccc(F)cc2)CC1 ZINC000423541828 514165690 /nfs/dbraw/zinc/16/56/90/514165690.db2.gz AZKANTDRIFXCNT-LEWJYISDSA-N 1 3 363.521 2.957 20 0 FFADHO CC1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000423573592 514173386 /nfs/dbraw/zinc/17/33/86/514173386.db2.gz OXUFUXUABJOSST-ZCNNSNEGSA-N 1 3 355.526 2.875 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449348959 514176736 /nfs/dbraw/zinc/17/67/36/514176736.db2.gz DKIJADIRGCAFOM-GMAHTHKFSA-N 1 3 363.505 2.699 20 0 FFADHO CC(C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000427298981 514177164 /nfs/dbraw/zinc/17/71/64/514177164.db2.gz IGLCRWLBLATKBD-RXVVDRJESA-N 1 3 357.542 2.965 20 0 FFADHO [NH3+][C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000417123290 514179464 /nfs/dbraw/zinc/17/94/64/514179464.db2.gz YORBODVYYCOSMV-PMACEKPBSA-N 1 3 352.482 2.650 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CN1Cc1ccccc1 ZINC000449366952 514183171 /nfs/dbraw/zinc/18/31/71/514183171.db2.gz TWKWRQFMAKIEPP-JZWVFAODSA-N 1 3 363.505 2.697 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000449398726 514197824 /nfs/dbraw/zinc/19/78/24/514197824.db2.gz WDJVVYNUFUYBTD-UGKGYDQZSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCCCN2CCO)CC1 ZINC000449398726 514197828 /nfs/dbraw/zinc/19/78/28/514197828.db2.gz WDJVVYNUFUYBTD-UGKGYDQZSA-N 1 3 359.558 2.518 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417176523 514211278 /nfs/dbraw/zinc/21/12/78/514211278.db2.gz CHOFNTWGIYVISI-QHAWAJNXSA-N 1 3 372.557 2.723 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c2ccccc2)CC1 ZINC000417212954 514234832 /nfs/dbraw/zinc/23/48/32/514234832.db2.gz IJNNHSJSOJCVHJ-IAGOWNOFSA-N 1 3 368.472 2.741 20 0 FFADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccc(F)cc1 ZINC000437791926 514238617 /nfs/dbraw/zinc/23/86/17/514238617.db2.gz IGHGAGGIDOOOCY-UTKZUKDTSA-N 1 3 371.500 2.808 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c2ccccc2)CC1 ZINC000417220145 514240980 /nfs/dbraw/zinc/24/09/80/514240980.db2.gz XKJRWQDFKRMEHR-MISYRCLQSA-N 1 3 358.530 2.838 20 0 FFADHO CN(CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000417227362 514245600 /nfs/dbraw/zinc/24/56/00/514245600.db2.gz CHTZONVMEWXQDD-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000414702630 514250092 /nfs/dbraw/zinc/25/00/92/514250092.db2.gz VAVMXODWTVBBRN-OAHLLOKOSA-N 1 3 365.468 2.907 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000414702630 514250093 /nfs/dbraw/zinc/25/00/93/514250093.db2.gz VAVMXODWTVBBRN-OAHLLOKOSA-N 1 3 365.468 2.907 20 0 FFADHO C[C@H]1C[C@@H](CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414741640 514266610 /nfs/dbraw/zinc/26/66/10/514266610.db2.gz SHZAVYWEXVQCEN-IRXDYDNUSA-N 1 3 351.922 2.725 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](CCc2ccc(F)cc2)C2CCCC2)C1 ZINC000414741643 514267148 /nfs/dbraw/zinc/26/71/48/514267148.db2.gz FJAYZUUSWILYHB-GOSISDBHSA-N 1 3 361.505 2.810 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)C1 ZINC000414741643 514267158 /nfs/dbraw/zinc/26/71/58/514267158.db2.gz FJAYZUUSWILYHB-GOSISDBHSA-N 1 3 361.505 2.810 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291656 514278300 /nfs/dbraw/zinc/27/83/00/514278300.db2.gz BCLYZNGSXHDKOV-OAHLLOKOSA-N 1 3 360.424 2.688 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000417316916 514291978 /nfs/dbraw/zinc/29/19/78/514291978.db2.gz VDTVCQXIYMVHLM-GUDVDZBRSA-N 1 3 350.551 2.671 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000449673794 514296121 /nfs/dbraw/zinc/29/61/21/514296121.db2.gz QJFQGXGXDRKUHU-AEFFLSMTSA-N 1 3 371.447 2.574 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000449673794 514296124 /nfs/dbraw/zinc/29/61/24/514296124.db2.gz QJFQGXGXDRKUHU-AEFFLSMTSA-N 1 3 371.447 2.574 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000414797809 514299472 /nfs/dbraw/zinc/29/94/72/514299472.db2.gz YWDQQQWUHRWMAW-NJYVYQBISA-N 1 3 360.498 2.573 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CC1 ZINC000414805834 514302365 /nfs/dbraw/zinc/30/23/65/514302365.db2.gz PVSKKECNLKBFOI-QMTHXVAHSA-N 1 3 367.515 2.586 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420799098 514305752 /nfs/dbraw/zinc/30/57/52/514305752.db2.gz IHAGJMIRQSOKEA-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420799098 514305758 /nfs/dbraw/zinc/30/57/58/514305758.db2.gz IHAGJMIRQSOKEA-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417355267 514307438 /nfs/dbraw/zinc/30/74/38/514307438.db2.gz APYVKLWCYGQFJP-IRXDYDNUSA-N 1 3 364.559 2.792 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417356591 514309413 /nfs/dbraw/zinc/30/94/13/514309413.db2.gz CMKWXYCHOWQUBA-OAHLLOKOSA-N 1 3 352.548 2.586 20 0 FFADHO C[C@@H]1NCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@H]1C ZINC000417359732 514310438 /nfs/dbraw/zinc/31/04/38/514310438.db2.gz JFQYXECOBPZUCR-ROUUACIJSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000420813550 514315158 /nfs/dbraw/zinc/31/51/58/514315158.db2.gz VRPHUNIYSKANTA-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000420813550 514315162 /nfs/dbraw/zinc/31/51/62/514315162.db2.gz VRPHUNIYSKANTA-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417378023 514321784 /nfs/dbraw/zinc/32/17/84/514321784.db2.gz GSDDLDFQVMPABJ-SFHVURJKSA-N 1 3 366.575 2.975 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)c1 ZINC000414859765 514327933 /nfs/dbraw/zinc/32/79/33/514327933.db2.gz NRJSIJIAEOARDN-OAHLLOKOSA-N 1 3 361.486 2.832 20 0 FFADHO O=C(Nc1cccc(CNCCN2CC[NH2+]CC2)c1)c1ccc(Cl)cc1 ZINC000414872159 514332985 /nfs/dbraw/zinc/33/29/85/514332985.db2.gz VSOCNZYTMCOGBO-UHFFFAOYSA-N 1 3 372.900 2.587 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000417417107 514342767 /nfs/dbraw/zinc/34/27/67/514342767.db2.gz RKVFNKPTCUZQIU-CABCVRRESA-N 1 3 366.472 2.631 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000417417107 514342774 /nfs/dbraw/zinc/34/27/74/514342774.db2.gz RKVFNKPTCUZQIU-CABCVRRESA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000424056272 514360320 /nfs/dbraw/zinc/36/03/20/514360320.db2.gz SGTHPJSOMAADNA-SFHVURJKSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414936256 514363733 /nfs/dbraw/zinc/36/37/33/514363733.db2.gz GRWUTXLDSPYHPL-ZOWXZIJZSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414936256 514363734 /nfs/dbraw/zinc/36/37/34/514363734.db2.gz GRWUTXLDSPYHPL-ZOWXZIJZSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C[C@H]1C[NH3+] ZINC000424074484 514370010 /nfs/dbraw/zinc/37/00/10/514370010.db2.gz ODWJTTOTLMQKII-KCITZHQASA-N 1 3 361.505 2.870 20 0 FFADHO C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)CN1 ZINC000417583675 514421552 /nfs/dbraw/zinc/42/15/52/514421552.db2.gz LFFUSFDGWVUIRN-SALMWKFDSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)CN1 ZINC000417583675 514421558 /nfs/dbraw/zinc/42/15/58/514421558.db2.gz LFFUSFDGWVUIRN-SALMWKFDSA-N 1 3 356.514 2.574 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)Nc3cccc(C)c3)CC2)CC1 ZINC000420997744 514431048 /nfs/dbraw/zinc/43/10/48/514431048.db2.gz ANPWQYKXCWNFDT-LJQANCHMSA-N 1 3 372.557 2.814 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)Nc3cccc(C)c3)CC2)CC1 ZINC000420997744 514431051 /nfs/dbraw/zinc/43/10/51/514431051.db2.gz ANPWQYKXCWNFDT-LJQANCHMSA-N 1 3 372.557 2.814 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)CC1 ZINC000420998427 514431113 /nfs/dbraw/zinc/43/11/13/514431113.db2.gz BAILHFIHFRCEAD-LJQANCHMSA-N 1 3 372.557 2.530 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)CC1 ZINC000420998427 514431114 /nfs/dbraw/zinc/43/11/14/514431114.db2.gz BAILHFIHFRCEAD-LJQANCHMSA-N 1 3 372.557 2.530 20 0 FFADHO COc1ccccc1[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415093777 514441203 /nfs/dbraw/zinc/44/12/03/514441203.db2.gz VXHOMFLHPHFXIA-VGOFRKELSA-N 1 3 367.493 2.572 20 0 FFADHO CC1(C)CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCN1 ZINC000417625924 514441960 /nfs/dbraw/zinc/44/19/60/514441960.db2.gz QLRDAFWRGUPGTC-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287512 514446397 /nfs/dbraw/zinc/44/63/97/514446397.db2.gz IXIRKHOXFUIVEN-GJZGRUSLSA-N 1 3 365.468 2.948 20 0 FFADHO CC(C)OCc1cccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424291254 514449026 /nfs/dbraw/zinc/44/90/26/514449026.db2.gz NIIZPWSNBHXMPE-GOSISDBHSA-N 1 3 373.541 2.692 20 0 FFADHO CCOCc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000415120896 514453113 /nfs/dbraw/zinc/45/31/13/514453113.db2.gz GMZMHZPSNZJILU-TZIWHRDSSA-N 1 3 362.514 2.950 20 0 FFADHO [NH3+]C1(CNCc2cc(C(F)(F)F)n[nH]2)CCN(Cc2ccccc2)CC1 ZINC000415133080 514460411 /nfs/dbraw/zinc/46/04/11/514460411.db2.gz MJOQLAVLOQZVPY-UHFFFAOYSA-N 1 3 367.419 2.512 20 0 FFADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(O)(C[NH3+])CC2)c1 ZINC000415142663 514466066 /nfs/dbraw/zinc/46/60/66/514466066.db2.gz QMNTXYYUZANJSD-UHFFFAOYSA-N 1 3 372.513 2.599 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450027305 514471520 /nfs/dbraw/zinc/47/15/20/514471520.db2.gz NXDGIGPOEKVVLE-PMACEKPBSA-N 1 3 365.562 2.743 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000465981362 514533954 /nfs/dbraw/zinc/53/39/54/514533954.db2.gz OLAQYZJUUFLMFI-JENIJYKNSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000465981362 514533963 /nfs/dbraw/zinc/53/39/63/514533963.db2.gz OLAQYZJUUFLMFI-JENIJYKNSA-N 1 3 352.567 2.869 20 0 FFADHO CCc1ccc(CCNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000465998080 514536440 /nfs/dbraw/zinc/53/64/40/514536440.db2.gz MCZRQEAWLUOBAU-OAQYLSRUSA-N 1 3 374.573 2.849 20 0 FFADHO CCc1ccc(CCNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000465998080 514536445 /nfs/dbraw/zinc/53/64/45/514536445.db2.gz MCZRQEAWLUOBAU-OAQYLSRUSA-N 1 3 374.573 2.849 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21)N1CCN(C)CC1 ZINC000453095969 514543573 /nfs/dbraw/zinc/54/35/73/514543573.db2.gz HUCCZIGTSMCSRO-JMJGKCIBSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000466040241 514546516 /nfs/dbraw/zinc/54/65/16/514546516.db2.gz UIRVMPGHIWYCEC-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[N@H+]1C ZINC000466040241 514546521 /nfs/dbraw/zinc/54/65/21/514546521.db2.gz UIRVMPGHIWYCEC-QWFCFKBJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453111588 514548240 /nfs/dbraw/zinc/54/82/40/514548240.db2.gz OZFJPWKZLWZEQL-JMJGKCIBSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453111588 514548247 /nfs/dbraw/zinc/54/82/47/514548247.db2.gz OZFJPWKZLWZEQL-JMJGKCIBSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453111588 514548252 /nfs/dbraw/zinc/54/82/52/514548252.db2.gz OZFJPWKZLWZEQL-JMJGKCIBSA-N 1 3 370.585 2.655 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)C2)CC1 ZINC000466055228 514551448 /nfs/dbraw/zinc/55/14/48/514551448.db2.gz YNRRBIVAJVYXNU-CEXWTWQISA-N 1 3 350.551 2.623 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475161279 514576328 /nfs/dbraw/zinc/57/63/28/514576328.db2.gz FVHLDTJMEFIMQR-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475161279 514576332 /nfs/dbraw/zinc/57/63/32/514576332.db2.gz FVHLDTJMEFIMQR-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000466500018 514666677 /nfs/dbraw/zinc/66/66/77/514666677.db2.gz RVGSXCIRZWJHNA-UXPWSPDFSA-N 1 3 362.562 2.813 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000466500018 514666688 /nfs/dbraw/zinc/66/66/88/514666688.db2.gz RVGSXCIRZWJHNA-UXPWSPDFSA-N 1 3 362.562 2.813 20 0 FFADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C)C(C)C ZINC000508167699 514692319 /nfs/dbraw/zinc/69/23/19/514692319.db2.gz ZCBUMXIKRAWQRF-HXUWFJFHSA-N 1 3 362.562 2.920 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000489071357 514695861 /nfs/dbraw/zinc/69/58/61/514695861.db2.gz IXIQQEGBVWRGSL-SLYNCCJLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000489071357 514695872 /nfs/dbraw/zinc/69/58/72/514695872.db2.gz IXIQQEGBVWRGSL-SLYNCCJLSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000479818264 514734783 /nfs/dbraw/zinc/73/47/83/514734783.db2.gz QRWGAJFKGJRYEC-NQIIRXRSSA-N 1 3 370.541 2.703 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502757869 514765421 /nfs/dbraw/zinc/76/54/21/514765421.db2.gz ALKGBOAAISYRMV-USWSCHJFSA-N 1 3 362.562 2.811 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)N1CCc2ccccc2C1 ZINC000498141297 514775230 /nfs/dbraw/zinc/77/52/30/514775230.db2.gz HTGFQRNZXOEPFF-CEWLAPEOSA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)N1CCc2ccccc2C1 ZINC000498141297 514775233 /nfs/dbraw/zinc/77/52/33/514775233.db2.gz HTGFQRNZXOEPFF-CEWLAPEOSA-N 1 3 370.541 2.559 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CCN(C)CC[C@@H]3C)CC2)CC1 ZINC000502821424 514794316 /nfs/dbraw/zinc/79/43/16/514794316.db2.gz GFLDDYMTSMVLKG-VIQWUECVSA-N 1 3 350.551 2.765 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000458447309 514804976 /nfs/dbraw/zinc/80/49/76/514804976.db2.gz CXYZQGVNQZIZSE-UHFFFAOYSA-N 1 3 352.548 2.696 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489366739 514819362 /nfs/dbraw/zinc/81/93/62/514819362.db2.gz KLWOIHRLPGKCNW-PKOBYXMFSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489366739 514819368 /nfs/dbraw/zinc/81/93/68/514819368.db2.gz KLWOIHRLPGKCNW-PKOBYXMFSA-N 1 3 362.562 2.767 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000503040017 514893137 /nfs/dbraw/zinc/89/31/37/514893137.db2.gz SEVGIZNYQGOCGI-VQTJNVASSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000503040017 514893147 /nfs/dbraw/zinc/89/31/47/514893147.db2.gz SEVGIZNYQGOCGI-VQTJNVASSA-N 1 3 360.546 2.723 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000458560767 514903433 /nfs/dbraw/zinc/90/34/33/514903433.db2.gz QOPBFCZFFIEMPQ-SXLOBPIMSA-N 1 3 358.530 2.774 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000458560767 514903449 /nfs/dbraw/zinc/90/34/49/514903449.db2.gz QOPBFCZFFIEMPQ-SXLOBPIMSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000503086272 514914149 /nfs/dbraw/zinc/91/41/49/514914149.db2.gz PYEGPQOBMCTETH-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489619165 514918161 /nfs/dbraw/zinc/91/81/61/514918161.db2.gz AFKZBWAKSRSBTP-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489619165 514918172 /nfs/dbraw/zinc/91/81/72/514918172.db2.gz AFKZBWAKSRSBTP-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000485215186 514960027 /nfs/dbraw/zinc/96/00/27/514960027.db2.gz WXTJSEXHZKIFCU-CQSZACIVSA-N 1 3 352.438 2.732 20 0 FFADHO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000498580708 514983696 /nfs/dbraw/zinc/98/36/96/514983696.db2.gz NYEDOMDNLSNZHK-INIZCTEOSA-N 1 3 353.457 2.648 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489828624 514991784 /nfs/dbraw/zinc/99/17/84/514991784.db2.gz IDEJFCZKSPVWPO-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000476381989 515027343 /nfs/dbraw/zinc/02/73/43/515027343.db2.gz VLUOAPBPNFFMSK-HXUWFJFHSA-N 1 3 356.514 2.661 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000476429676 515047039 /nfs/dbraw/zinc/04/70/39/515047039.db2.gz FYHACTRUMNSKKP-FQEVSTJZSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@@H](C)C1 ZINC000458839451 515133528 /nfs/dbraw/zinc/13/35/28/515133528.db2.gz CZXKYUVTZMOMKO-OTWHNJEPSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)[C@H](C)C1 ZINC000476800415 515200117 /nfs/dbraw/zinc/20/01/17/515200117.db2.gz DHFHOTGQICFNFB-VQIMIIECSA-N 1 3 362.518 2.821 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)[C@H](C)C1 ZINC000476800415 515200122 /nfs/dbraw/zinc/20/01/22/515200122.db2.gz DHFHOTGQICFNFB-VQIMIIECSA-N 1 3 362.518 2.821 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000499113311 515204437 /nfs/dbraw/zinc/20/44/37/515204437.db2.gz PCBGZALJAPFELK-LUKYLMHMSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000476825575 515208576 /nfs/dbraw/zinc/20/85/76/515208576.db2.gz XBCJOURDHNGHBC-QRVBRYPASA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000476825575 515208583 /nfs/dbraw/zinc/20/85/83/515208583.db2.gz XBCJOURDHNGHBC-QRVBRYPASA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccco1 ZINC000509569709 515236984 /nfs/dbraw/zinc/23/69/84/515236984.db2.gz NSJUKAULMLCLGV-HOTGVXAUSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccco1 ZINC000509575712 515241500 /nfs/dbraw/zinc/24/15/00/515241500.db2.gz XSVONQNACDKJRA-WNRNVDISSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccco1 ZINC000509575712 515241507 /nfs/dbraw/zinc/24/15/07/515241507.db2.gz XSVONQNACDKJRA-WNRNVDISSA-N 1 3 362.518 2.835 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000454146139 515268817 /nfs/dbraw/zinc/26/88/17/515268817.db2.gz IHJXAURVBLPEOB-JKSUJKDBSA-N 1 3 352.548 2.770 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)Nc3ccc4c(c3)CNCCO4)ccc21 ZINC000462878459 515279275 /nfs/dbraw/zinc/27/92/75/515279275.db2.gz MTJHCMJDALLASP-UHFFFAOYSA-N 1 3 364.449 2.724 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCN1C ZINC000477041855 515300277 /nfs/dbraw/zinc/30/02/77/515300277.db2.gz GTDVUUGYJDTGAC-AHRSYUTCSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCN1C ZINC000477041855 515300283 /nfs/dbraw/zinc/30/02/83/515300283.db2.gz GTDVUUGYJDTGAC-AHRSYUTCSA-N 1 3 358.530 2.679 20 0 FFADHO C[NH+](C)CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCC1 ZINC000468327075 515312696 /nfs/dbraw/zinc/31/26/96/515312696.db2.gz DDJVCVOEVJEOFU-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)NCCN(C)C2CC2)CC1 ZINC000490869989 515321596 /nfs/dbraw/zinc/32/15/96/515321596.db2.gz LQOFWPBGUAKHGN-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000463014024 515334650 /nfs/dbraw/zinc/33/46/50/515334650.db2.gz QGMQRVYAJNKVGT-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000463013391 515334723 /nfs/dbraw/zinc/33/47/23/515334723.db2.gz RQGDFQMKXNDZMU-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000463013391 515334731 /nfs/dbraw/zinc/33/47/31/515334731.db2.gz RQGDFQMKXNDZMU-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000463020500 515338126 /nfs/dbraw/zinc/33/81/26/515338126.db2.gz MQDGZANMCOSWNX-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C(C)C)N(C)C)cc1 ZINC000491084341 515373093 /nfs/dbraw/zinc/37/30/93/515373093.db2.gz GIZCGDRDIGPFMO-LJQANCHMSA-N 1 3 364.534 2.716 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000491084341 515373100 /nfs/dbraw/zinc/37/31/00/515373100.db2.gz GIZCGDRDIGPFMO-LJQANCHMSA-N 1 3 364.534 2.716 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504901893 515406465 /nfs/dbraw/zinc/40/64/65/515406465.db2.gz ILZBTPKXSNUDRM-AABGKKOBSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504901893 515406474 /nfs/dbraw/zinc/40/64/74/515406474.db2.gz ILZBTPKXSNUDRM-AABGKKOBSA-N 1 3 356.514 2.577 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459273289 515439759 /nfs/dbraw/zinc/43/97/59/515439759.db2.gz YACKNZDECMNKAI-LJQANCHMSA-N 1 3 360.546 2.800 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459273289 515439768 /nfs/dbraw/zinc/43/97/68/515439768.db2.gz YACKNZDECMNKAI-LJQANCHMSA-N 1 3 360.546 2.800 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454383034 515446394 /nfs/dbraw/zinc/44/63/94/515446394.db2.gz PXSUSJTZSOFLKT-FUHWJXTLSA-N 1 3 360.502 2.575 20 0 FFADHO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)CN(C)C ZINC000491597659 515458105 /nfs/dbraw/zinc/45/81/05/515458105.db2.gz XUVNPTRUEOVGGD-OAHLLOKOSA-N 1 3 358.486 2.536 20 0 FFADHO CN1CCC2(CCCN2C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000510324847 515504172 /nfs/dbraw/zinc/50/41/72/515504172.db2.gz FMRASBVDNZWWTK-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000473270080 515557545 /nfs/dbraw/zinc/55/75/45/515557545.db2.gz PEBZJVHZXCAMCS-NHCUHLMSSA-N 1 3 374.573 2.648 20 0 FFADHO C[C@H]1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CC(=O)N1Cc1ccccc1 ZINC000459519610 515614181 /nfs/dbraw/zinc/61/41/81/515614181.db2.gz CWTBGNFRUYGAKJ-LAUBAEHRSA-N 1 3 364.493 2.830 20 0 FFADHO C[C@H](NCCOCC[NH2+][C@@H](C)c1cncc(F)c1)c1cncc(F)c1 ZINC000459617780 515698495 /nfs/dbraw/zinc/69/84/95/515698495.db2.gz CQDUZMFEFUSVSW-KBPBESRZSA-N 1 3 350.413 2.773 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000464079106 515705339 /nfs/dbraw/zinc/70/53/39/515705339.db2.gz XGGJQILZSXOWSP-CEWLAPEOSA-N 1 3 373.541 2.663 20 0 FFADHO COc1cc(F)c([C@@H](C)NCCC[N@@H+]2CCCN(C)CC2)cc1OC ZINC000482545538 515717028 /nfs/dbraw/zinc/71/70/28/515717028.db2.gz ZESQSSGEGOAQKZ-OAHLLOKOSA-N 1 3 353.482 2.521 20 0 FFADHO COc1cc(F)c([C@@H](C)NCCC[N@H+]2CCCN(C)CC2)cc1OC ZINC000482545538 515717035 /nfs/dbraw/zinc/71/70/35/515717035.db2.gz ZESQSSGEGOAQKZ-OAHLLOKOSA-N 1 3 353.482 2.521 20 0 FFADHO COc1ccc2oc([C@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)c(C)c2c1 ZINC000482552741 515719239 /nfs/dbraw/zinc/71/92/39/515719239.db2.gz ITEVTFKQKVKWPW-HOTGVXAUSA-N 1 3 373.497 2.988 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000511013581 515746403 /nfs/dbraw/zinc/74/64/03/515746403.db2.gz MCZXQFGQNYQYID-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000511013581 515746407 /nfs/dbraw/zinc/74/64/07/515746407.db2.gz MCZXQFGQNYQYID-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H]1C[C@@H](NCCOc2ccc(I)cc2)CC[N@@H+]1C ZINC000511032726 515751469 /nfs/dbraw/zinc/75/14/69/515751469.db2.gz TYERKZFMTXKWRU-JSGCOSHPSA-N 1 3 374.266 2.742 20 0 FFADHO C[C@H]1C[C@@H](NCCOc2ccc(I)cc2)CC[N@H+]1C ZINC000511032726 515751475 /nfs/dbraw/zinc/75/14/75/515751475.db2.gz TYERKZFMTXKWRU-JSGCOSHPSA-N 1 3 374.266 2.742 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000478408911 515811915 /nfs/dbraw/zinc/81/19/15/515811915.db2.gz WEGXHAHQUUUIOV-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO C=Cc1ccc(CCNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000464440145 515827687 /nfs/dbraw/zinc/82/76/87/515827687.db2.gz WEDFOBRBZKFXPQ-OAQYLSRUSA-N 1 3 372.557 2.930 20 0 FFADHO C=Cc1ccc(CCNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000464440145 515827694 /nfs/dbraw/zinc/82/76/94/515827694.db2.gz WEDFOBRBZKFXPQ-OAQYLSRUSA-N 1 3 372.557 2.930 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000511228396 515836553 /nfs/dbraw/zinc/83/65/53/515836553.db2.gz NCJPZJDIAXGOEC-MSOLQXFVSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000511228396 515836562 /nfs/dbraw/zinc/83/65/62/515836562.db2.gz NCJPZJDIAXGOEC-MSOLQXFVSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@H]1CN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000494440441 515844079 /nfs/dbraw/zinc/84/40/79/515844079.db2.gz XPFRRAVXQHNELI-KJJMTIBFSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@H]1CN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000494440441 515844087 /nfs/dbraw/zinc/84/40/87/515844087.db2.gz XPFRRAVXQHNELI-KJJMTIBFSA-N 1 3 357.542 2.882 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)ccn1 ZINC000474018826 515844143 /nfs/dbraw/zinc/84/41/43/515844143.db2.gz ALISNGQPGQPQEB-BAGYTPMASA-N 1 3 372.557 2.779 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[N@H+](C)C1CC1 ZINC000511446606 515909754 /nfs/dbraw/zinc/90/97/54/515909754.db2.gz PZDDMPBGCXSHCR-CRAIPNDOSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[N@@H+](C)C1CC1 ZINC000511446606 515909764 /nfs/dbraw/zinc/90/97/64/515909764.db2.gz PZDDMPBGCXSHCR-CRAIPNDOSA-N 1 3 365.468 2.743 20 0 FFADHO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511457044 515911815 /nfs/dbraw/zinc/91/18/15/515911815.db2.gz BYCWCKURFWQFTO-ROUUACIJSA-N 1 3 365.468 2.696 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000494681472 515921173 /nfs/dbraw/zinc/92/11/73/515921173.db2.gz SFASHHBTXPHURY-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000494681472 515921186 /nfs/dbraw/zinc/92/11/86/515921186.db2.gz SFASHHBTXPHURY-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C(C)C)C2CCCC2)[C@@H](C)C1 ZINC000469771357 515957664 /nfs/dbraw/zinc/95/76/64/515957664.db2.gz ZVNKUMSKHDMDPH-AZUAARDMSA-N 1 3 367.578 2.893 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)CC2CCCCC2)[C@H](C)C1 ZINC000469788715 515965851 /nfs/dbraw/zinc/96/58/51/515965851.db2.gz VWSJCQJCDQXYEA-QUCCMNQESA-N 1 3 367.578 2.752 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)N(CC)CC ZINC000474291480 515975592 /nfs/dbraw/zinc/97/55/92/515975592.db2.gz KSNOUDRHHVFQOA-JCGIZDLHSA-N 1 3 353.457 2.647 20 0 FFADHO OC1CC[NH+](CCCN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494900085 516001885 /nfs/dbraw/zinc/00/18/85/516001885.db2.gz HAPMSRAZCMQMSI-OXJNMPFZSA-N 1 3 350.478 2.730 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2ccccc2OCC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000469861050 516002443 /nfs/dbraw/zinc/00/24/43/516002443.db2.gz HTMDUZTZNKUEMO-QUCCMNQESA-N 1 3 371.525 2.556 20 0 FFADHO CC(C)[C@@H](CNC(=O)NCCN1CCCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000501178457 516007148 /nfs/dbraw/zinc/00/71/48/516007148.db2.gz ZTDCVOQTKMUUCP-RTBURBONSA-N 1 3 352.567 2.917 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511893618 516070371 /nfs/dbraw/zinc/07/03/71/516070371.db2.gz CYWLCKRPJAJOKT-NJDAHSKKSA-N 1 3 355.526 2.855 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000507077869 516080106 /nfs/dbraw/zinc/08/01/06/516080106.db2.gz PDBZDYVLVFLBSB-SJORKVTESA-N 1 3 366.575 2.899 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488018100 516081701 /nfs/dbraw/zinc/08/17/01/516081701.db2.gz PZFQTGBFOPEZOL-XHYRXIGBSA-N 1 3 364.578 2.725 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488018100 516081710 /nfs/dbraw/zinc/08/17/10/516081710.db2.gz PZFQTGBFOPEZOL-XHYRXIGBSA-N 1 3 364.578 2.725 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)C2)C1 ZINC000488045881 516095217 /nfs/dbraw/zinc/09/52/17/516095217.db2.gz SDXVIHPTFASDKJ-QFIPXVFZSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)C2)C1 ZINC000488045881 516095223 /nfs/dbraw/zinc/09/52/23/516095223.db2.gz SDXVIHPTFASDKJ-QFIPXVFZSA-N 1 3 370.541 2.561 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000483466674 516099966 /nfs/dbraw/zinc/09/99/66/516099966.db2.gz AHAZJDFRGBWGQG-UHFFFAOYSA-N 1 3 362.518 2.965 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000457740568 516112219 /nfs/dbraw/zinc/11/22/19/516112219.db2.gz IHFQYIZPHRVFAD-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000457740568 516112227 /nfs/dbraw/zinc/11/22/27/516112227.db2.gz IHFQYIZPHRVFAD-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000474600470 516113634 /nfs/dbraw/zinc/11/36/34/516113634.db2.gz NUXWJSXGZRVUJD-CALCHBBNSA-N 1 3 360.477 2.990 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000488168782 516142995 /nfs/dbraw/zinc/14/29/95/516142995.db2.gz ZFQRBKCHCJFJQM-ZWOKBUDYSA-N 1 3 358.530 2.620 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465441476 516153709 /nfs/dbraw/zinc/15/37/09/516153709.db2.gz SNZSVKWKFBELJW-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465441476 516153714 /nfs/dbraw/zinc/15/37/14/516153714.db2.gz SNZSVKWKFBELJW-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000479344930 516158083 /nfs/dbraw/zinc/15/80/83/516158083.db2.gz JGTVVRPMDPKFSA-GPMSIDNRSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC000479344930 516158088 /nfs/dbraw/zinc/15/80/88/516158088.db2.gz JGTVVRPMDPKFSA-GPMSIDNRSA-N 1 3 364.509 2.991 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483689832 516174187 /nfs/dbraw/zinc/17/41/87/516174187.db2.gz WTSIGEIETGDPJH-HXUWFJFHSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483689832 516174197 /nfs/dbraw/zinc/17/41/97/516174197.db2.gz WTSIGEIETGDPJH-HXUWFJFHSA-N 1 3 360.546 2.879 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000465524983 516179008 /nfs/dbraw/zinc/17/90/08/516179008.db2.gz MZMXJWQOKOAUCT-UXHICEINSA-N 1 3 360.546 2.723 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@@H]1C ZINC000483702362 516180227 /nfs/dbraw/zinc/18/02/27/516180227.db2.gz PKUITVKZWPJBOP-IHPCNDPISA-N 1 3 360.546 2.674 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@@H]1C ZINC000483702362 516180232 /nfs/dbraw/zinc/18/02/32/516180232.db2.gz PKUITVKZWPJBOP-IHPCNDPISA-N 1 3 360.546 2.674 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000501826420 516236869 /nfs/dbraw/zinc/23/68/69/516236869.db2.gz HFGNAFVJAMDEHR-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465732971 516243199 /nfs/dbraw/zinc/24/31/99/516243199.db2.gz XGNOYGXXAGWBTE-RTWAWAEBSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465732971 516243207 /nfs/dbraw/zinc/24/32/07/516243207.db2.gz XGNOYGXXAGWBTE-RTWAWAEBSA-N 1 3 372.557 2.723 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc2ccccc2[nH]1 ZINC000465802879 516261377 /nfs/dbraw/zinc/26/13/77/516261377.db2.gz BHIFZHXMEQSDFQ-IBGZPJMESA-N 1 3 371.529 2.725 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc2ccccc2[nH]1 ZINC000465802879 516261384 /nfs/dbraw/zinc/26/13/84/516261384.db2.gz BHIFZHXMEQSDFQ-IBGZPJMESA-N 1 3 371.529 2.725 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000460885439 516275296 /nfs/dbraw/zinc/27/52/96/516275296.db2.gz SHRROTCRAJNOAH-NVXWUHKLSA-N 1 3 367.484 2.943 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000460885439 516275303 /nfs/dbraw/zinc/27/53/03/516275303.db2.gz SHRROTCRAJNOAH-NVXWUHKLSA-N 1 3 367.484 2.943 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc2)CC1 ZINC000461025866 516306721 /nfs/dbraw/zinc/30/67/21/516306721.db2.gz IYLARFWGCVREBT-GOSISDBHSA-N 1 3 360.546 2.676 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc2)CC1 ZINC000461025866 516306725 /nfs/dbraw/zinc/30/67/25/516306725.db2.gz IYLARFWGCVREBT-GOSISDBHSA-N 1 3 360.546 2.676 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(Br)cn2)C[C@H](C)O1 ZINC000531199429 516345126 /nfs/dbraw/zinc/34/51/26/516345126.db2.gz KVEWEIOOUAYPLN-KBPBESRZSA-N 1 3 356.308 2.823 20 0 FFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523013752 516372243 /nfs/dbraw/zinc/37/22/43/516372243.db2.gz BOXJWDQNMFLBQH-IBGZPJMESA-N 1 3 358.530 2.625 20 0 FFADHO CC(C)(CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000561110368 516384939 /nfs/dbraw/zinc/38/49/39/516384939.db2.gz XLCHBCKBDNBFRC-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CN(CCC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cc[nH+]cc1 ZINC000543713480 516385480 /nfs/dbraw/zinc/38/54/80/516385480.db2.gz MVAAGJFIHTXZLY-UHFFFAOYSA-N 1 3 356.470 2.624 20 0 FFADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000561145584 516406003 /nfs/dbraw/zinc/40/60/03/516406003.db2.gz WHEAKUZKRPXFIY-FUHWJXTLSA-N 1 3 358.530 2.511 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC2=CC[NH2+]CC2)c2cccs2)CC1 ZINC000561148511 516408845 /nfs/dbraw/zinc/40/88/45/516408845.db2.gz CAMUYNHZNWNFFW-KRWDZBQOSA-N 1 3 362.543 2.740 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523397443 516460282 /nfs/dbraw/zinc/46/02/82/516460282.db2.gz LAGIPMQXFFBRMD-LEWJYISDSA-N 1 3 370.541 2.771 20 0 FFADHO COC1CCC(N(C)CC2(C[N@H+](C)C3CCC(OC)CC3)COC2)CC1 ZINC000543859303 516464717 /nfs/dbraw/zinc/46/47/17/516464717.db2.gz VTSBWBMMCMJOCL-UHFFFAOYSA-N 1 3 368.562 2.782 20 0 FFADHO COC1CCC(N(C)CC2(C[N@@H+](C)C3CCC(OC)CC3)COC2)CC1 ZINC000543859303 516464728 /nfs/dbraw/zinc/46/47/28/516464728.db2.gz VTSBWBMMCMJOCL-UHFFFAOYSA-N 1 3 368.562 2.782 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000531531062 516509584 /nfs/dbraw/zinc/50/95/84/516509584.db2.gz LFFSVVNLSKCDLV-LJQANCHMSA-N 1 3 372.557 2.708 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000561315929 516517304 /nfs/dbraw/zinc/51/73/04/516517304.db2.gz LSEJQWJQJPXMJB-GOSISDBHSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)CC1 ZINC000535899091 516548856 /nfs/dbraw/zinc/54/88/56/516548856.db2.gz WMTHWOQVXVPQPT-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1COc2ccccc2C1 ZINC000551163686 516586730 /nfs/dbraw/zinc/58/67/30/516586730.db2.gz GNVXLLDBLLGPGC-SFTDATJTSA-N 1 3 352.478 2.737 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1COc2ccccc2C1 ZINC000551163686 516586737 /nfs/dbraw/zinc/58/67/37/516586737.db2.gz GNVXLLDBLLGPGC-SFTDATJTSA-N 1 3 352.478 2.737 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)NCC1=CCN(C)CC1)Cc1ccccc1 ZINC000540529278 516603011 /nfs/dbraw/zinc/60/30/11/516603011.db2.gz IWURRPMACGHNGW-FQEVSTJZSA-N 1 3 358.530 2.501 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000523906943 516607024 /nfs/dbraw/zinc/60/70/24/516607024.db2.gz QERAQAVHAGVJCO-SFHVURJKSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN4CCC3CC4)cc2)C1 ZINC000551245253 516622568 /nfs/dbraw/zinc/62/25/68/516622568.db2.gz TXCTZPTUOQKLAQ-GOSISDBHSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN4CCC3CC4)cc2)C1 ZINC000551245253 516622575 /nfs/dbraw/zinc/62/25/75/516622575.db2.gz TXCTZPTUOQKLAQ-GOSISDBHSA-N 1 3 370.541 2.908 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccco1 ZINC000558368497 516706861 /nfs/dbraw/zinc/70/68/61/516706861.db2.gz BPAMGEMTLDQXAL-HZPDHXFCSA-N 1 3 350.507 2.882 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1cccc(OC)c1 ZINC000548085489 516752983 /nfs/dbraw/zinc/75/29/83/516752983.db2.gz PHBGWWYVCUHNMK-IBGZPJMESA-N 1 3 359.514 2.823 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000524658794 516781924 /nfs/dbraw/zinc/78/19/24/516781924.db2.gz KLRVCKKCBJTBNS-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000528916600 516792868 /nfs/dbraw/zinc/79/28/68/516792868.db2.gz VIFAIUOMOJXXFA-GOSISDBHSA-N 1 3 360.502 2.765 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H]([C@H](C)O)C3)c2)C1 ZINC000536537338 516808533 /nfs/dbraw/zinc/80/85/33/516808533.db2.gz JWZLWMZRCJMBJM-YHDSQAASSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H]([C@H](C)O)C3)c2)C1 ZINC000536537338 516808543 /nfs/dbraw/zinc/80/85/43/516808543.db2.gz JWZLWMZRCJMBJM-YHDSQAASSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@H]([C@H](C)O)C3)c2)C1 ZINC000536537338 516808551 /nfs/dbraw/zinc/80/85/51/516808551.db2.gz JWZLWMZRCJMBJM-YHDSQAASSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@H]([C@H](C)O)C3)c2)C1 ZINC000536537338 516808560 /nfs/dbraw/zinc/80/85/60/516808560.db2.gz JWZLWMZRCJMBJM-YHDSQAASSA-N 1 3 360.542 2.872 20 0 FFADHO CC(C)(C)[C@H](CO)NCc1cc(C[NH2+][C@H](CO)C(C)(C)C)ccc1F ZINC000518902556 516813147 /nfs/dbraw/zinc/81/31/47/516813147.db2.gz XFSIEAUPPYRPMO-MSOLQXFVSA-N 1 3 354.510 2.819 20 0 FFADHO CC[N@H+](CCC1CCN(C[C@@H]2CCCS(=O)(=O)C2)CC1)CC1CC1 ZINC000551702771 516829494 /nfs/dbraw/zinc/82/94/94/516829494.db2.gz VRZXECSCEXFIIJ-IBGZPJMESA-N 1 3 356.576 2.645 20 0 FFADHO CC[N@@H+](CCC1CCN(C[C@@H]2CCCS(=O)(=O)C2)CC1)CC1CC1 ZINC000551702771 516829503 /nfs/dbraw/zinc/82/95/03/516829503.db2.gz VRZXECSCEXFIIJ-IBGZPJMESA-N 1 3 356.576 2.645 20 0 FFADHO Cc1cc(NC(=O)NC[C@@H]2CCN2C2CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000529010059 516859067 /nfs/dbraw/zinc/85/90/67/516859067.db2.gz JWRHCFGCGIXMJU-SFHVURJKSA-N 1 3 374.533 2.597 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000514114122 516868344 /nfs/dbraw/zinc/86/83/44/516868344.db2.gz CLEWSSMCKTXROP-MOPGFXCFSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000514114122 516868358 /nfs/dbraw/zinc/86/83/58/516868358.db2.gz CLEWSSMCKTXROP-MOPGFXCFSA-N 1 3 352.567 2.918 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000555377751 516906538 /nfs/dbraw/zinc/90/65/38/516906538.db2.gz UWWXGXYOZXREEG-IBGZPJMESA-N 1 3 352.494 2.552 20 0 FFADHO C[C@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000541220962 516935663 /nfs/dbraw/zinc/93/56/63/516935663.db2.gz HDHSFRKWEMRNRF-CABCVRRESA-N 1 3 360.502 2.682 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000525290435 516994886 /nfs/dbraw/zinc/99/48/86/516994886.db2.gz YMUCMKXWZGVAHT-SFHVURJKSA-N 1 3 366.937 2.898 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000525290435 516994892 /nfs/dbraw/zinc/99/48/92/516994892.db2.gz YMUCMKXWZGVAHT-SFHVURJKSA-N 1 3 366.937 2.898 20 0 FFADHO O=c1[nH]c2ccccc2n1CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000532582582 517047366 /nfs/dbraw/zinc/04/73/66/517047366.db2.gz HNIIAHNLHMRJKD-UHFFFAOYSA-N 1 3 372.513 2.709 20 0 FFADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)C1 ZINC000552064533 517059183 /nfs/dbraw/zinc/05/91/83/517059183.db2.gz XHIMVSXGPIRJLY-WOJBJXKFSA-N 1 3 372.557 2.998 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)CC1 ZINC000514798102 517063315 /nfs/dbraw/zinc/06/33/15/517063315.db2.gz HZWUEZTZCHSWIA-OAHLLOKOSA-N 1 3 357.489 2.734 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(SC)cn1 ZINC000541473655 517065572 /nfs/dbraw/zinc/06/55/72/517065572.db2.gz OAQTXCCSPNKBIS-HNNXBMFYSA-N 1 3 365.547 2.683 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(SC)cn1 ZINC000541473655 517065580 /nfs/dbraw/zinc/06/55/80/517065580.db2.gz OAQTXCCSPNKBIS-HNNXBMFYSA-N 1 3 365.547 2.683 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCCN(CCCc2ccccc2)CC1 ZINC000529369306 517109154 /nfs/dbraw/zinc/10/91/54/517109154.db2.gz XSGJMBZPBNVFFW-HXUWFJFHSA-N 1 3 370.541 2.621 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCNc2ccccn2)CC1 ZINC000537507410 517212797 /nfs/dbraw/zinc/21/27/97/517212797.db2.gz YXRKTFXSHAWGTI-UHFFFAOYSA-N 1 3 353.514 2.815 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000519837785 517213530 /nfs/dbraw/zinc/21/35/30/517213530.db2.gz CAQQQVQFZXBIHI-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](NC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000515144859 517228490 /nfs/dbraw/zinc/22/84/90/517228490.db2.gz OHIGDNVUYYRZPM-IEBWSBKVSA-N 1 3 373.545 2.718 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000515218146 517260233 /nfs/dbraw/zinc/26/02/33/517260233.db2.gz JTTGGZLPOVUFAK-UHFFFAOYSA-N 1 3 369.557 2.903 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000556112402 517272824 /nfs/dbraw/zinc/27/28/24/517272824.db2.gz DTXVTARBKPNUPP-DBXWQHBBSA-N 1 3 357.498 2.753 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529719551 517311240 /nfs/dbraw/zinc/31/12/40/517311240.db2.gz NLZSLOUGZLXKCK-LJQANCHMSA-N 1 3 363.546 2.545 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529719551 517311245 /nfs/dbraw/zinc/31/12/45/517311245.db2.gz NLZSLOUGZLXKCK-LJQANCHMSA-N 1 3 363.546 2.545 20 0 FFADHO O=C(CCN1CCC[C@@H](N2CCCC2=O)CC1)c1ccc2c(c1)OCCO2 ZINC000562704935 517319850 /nfs/dbraw/zinc/31/98/50/517319850.db2.gz NIDCUDXZEZFPQU-QGZVFWFLSA-N 1 3 372.465 2.508 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000562795236 517408678 /nfs/dbraw/zinc/40/86/78/517408678.db2.gz GWOZNYUOYMIPAX-MWDXBVQZSA-N 1 3 362.543 2.572 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000559753751 517412448 /nfs/dbraw/zinc/41/24/48/517412448.db2.gz RRDUMYQLYQHRQC-MQSCRBSSSA-N 1 3 372.601 2.903 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537945391 517413632 /nfs/dbraw/zinc/41/36/32/517413632.db2.gz LKJZRQCLNROFTL-KOFHJDLBSA-N 1 3 353.869 2.903 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000559774764 517421923 /nfs/dbraw/zinc/42/19/23/517421923.db2.gz VRNCGMUKHVCHQL-HXUWFJFHSA-N 1 3 352.478 2.737 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1CC1 ZINC000549176357 517439262 /nfs/dbraw/zinc/43/92/62/517439262.db2.gz NZUCAASABQMYOW-QGZVFWFLSA-N 1 3 352.910 2.726 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C1CC1 ZINC000549176357 517439272 /nfs/dbraw/zinc/43/92/72/517439272.db2.gz NZUCAASABQMYOW-QGZVFWFLSA-N 1 3 352.910 2.726 20 0 FFADHO CC(C)[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccnc1 ZINC000538101568 517464891 /nfs/dbraw/zinc/46/48/91/517464891.db2.gz XEDWGTSZBQFRHB-NRFANRHFSA-N 1 3 353.514 2.976 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCC(C)CC1 ZINC000559895005 517476281 /nfs/dbraw/zinc/47/62/81/517476281.db2.gz VAXJGLFTEWSAMI-HNNXBMFYSA-N 1 3 370.335 2.711 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCN1C ZINC000559972153 517511266 /nfs/dbraw/zinc/51/12/66/517511266.db2.gz GHIXCZRIKAJNQQ-KBUPBQIOSA-N 1 3 363.468 2.836 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCN1C ZINC000559972153 517511276 /nfs/dbraw/zinc/51/12/76/517511276.db2.gz GHIXCZRIKAJNQQ-KBUPBQIOSA-N 1 3 363.468 2.836 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000520819075 517523138 /nfs/dbraw/zinc/52/31/38/517523138.db2.gz OHPNJKZSWWSTFS-SFTDATJTSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000520819075 517523144 /nfs/dbraw/zinc/52/31/44/517523144.db2.gz OHPNJKZSWWSTFS-SFTDATJTSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000516163643 517594925 /nfs/dbraw/zinc/59/49/25/517594925.db2.gz NMSFIWDZAJQWND-UTKZUKDTSA-N 1 3 370.541 2.996 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C12CCCC2 ZINC000538393140 517601123 /nfs/dbraw/zinc/60/11/23/517601123.db2.gz GZRDWOHDRKUUSD-SFTDATJTSA-N 1 3 372.557 2.921 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCn4cccc4[C@H]3C)CC2)CC1 ZINC000553256641 517605705 /nfs/dbraw/zinc/60/57/05/517605705.db2.gz JIQJYNBLGRPZIY-QGZVFWFLSA-N 1 3 358.530 2.588 20 0 FFADHO COc1cc2c(c(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000530248455 517653670 /nfs/dbraw/zinc/65/36/70/517653670.db2.gz KUJUJVPNHVPAIG-DNVCBOLYSA-N 1 3 360.498 2.609 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000563160578 517701228 /nfs/dbraw/zinc/70/12/28/517701228.db2.gz NWJOQENGLREIAQ-UTKZUKDTSA-N 1 3 373.541 2.974 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CCOC1 ZINC000556886400 517727705 /nfs/dbraw/zinc/72/77/05/517727705.db2.gz MLTSLSZLJFDTOG-QMCAAQAGSA-N 1 3 358.526 2.664 20 0 FFADHO C[C@H](NC(=O)NCc1ccccc1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000557137739 517875529 /nfs/dbraw/zinc/87/55/29/517875529.db2.gz FCUSMAXHDNGNMO-ROUUACIJSA-N 1 3 358.530 2.860 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527815514 517931845 /nfs/dbraw/zinc/93/18/45/517931845.db2.gz JXYKMGPORXMRSD-PKOBYXMFSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527815514 517931852 /nfs/dbraw/zinc/93/18/52/517931852.db2.gz JXYKMGPORXMRSD-PKOBYXMFSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553862836 517939243 /nfs/dbraw/zinc/93/92/43/517939243.db2.gz KMPBCFLIKVTZDF-AZUAARDMSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@H+](C2CCC2)C1 ZINC000553862836 517939254 /nfs/dbraw/zinc/93/92/54/517939254.db2.gz KMPBCFLIKVTZDF-AZUAARDMSA-N 1 3 370.541 2.626 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1CN1CCCCC1 ZINC000527959892 518014039 /nfs/dbraw/zinc/01/40/39/518014039.db2.gz ZRDJNHVLRVIMJD-LDQXTDLNSA-N 1 3 362.514 2.872 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)[C@@H](C)C1 ZINC000528009992 518039179 /nfs/dbraw/zinc/03/91/79/518039179.db2.gz ZUESXSVNMHCETJ-FFZOFVMBSA-N 1 3 359.514 2.540 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccncc4)C3)CC2)CC1 ZINC000563636668 518039933 /nfs/dbraw/zinc/03/99/33/518039933.db2.gz MLPADPXGFYNBPF-HXUWFJFHSA-N 1 3 370.541 2.594 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000522293961 518068281 /nfs/dbraw/zinc/06/82/81/518068281.db2.gz QDHOODCICAKRGJ-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000522293962 518069184 /nfs/dbraw/zinc/06/91/84/518069184.db2.gz QDHOODCICAKRGJ-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO COc1ccccc1COC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000517230248 518076898 /nfs/dbraw/zinc/07/68/98/518076898.db2.gz BNFJMLLOYNETPZ-FQEVSTJZSA-N 1 3 362.514 2.569 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000531119065 518143423 /nfs/dbraw/zinc/14/34/23/518143423.db2.gz YZROMIDDGUBHAQ-LEWJYISDSA-N 1 3 353.510 2.895 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000517418585 518143779 /nfs/dbraw/zinc/14/37/79/518143779.db2.gz DNOWSXSYTXZHOH-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522832081 518168063 /nfs/dbraw/zinc/16/80/63/518168063.db2.gz FYIOWRJQWFBNIN-SBHAEUEKSA-N 1 3 372.557 2.778 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccco1 ZINC000563868513 518209083 /nfs/dbraw/zinc/20/90/83/518209083.db2.gz PPEMOBOPHGCZRD-RDJZCZTQSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H](C)O ZINC000581305491 518222364 /nfs/dbraw/zinc/22/23/64/518222364.db2.gz KVWRVEUPJJAOIX-MOPGFXCFSA-N 1 3 353.510 2.868 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCc1cccc(Cl)c1Cl ZINC000566856347 518235443 /nfs/dbraw/zinc/23/54/43/518235443.db2.gz YMJCKVRGVBJFTH-GASCZTMLSA-N 1 3 370.324 2.584 20 0 FFADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CNCc2ccccc21 ZINC000578503165 518241872 /nfs/dbraw/zinc/24/18/72/518241872.db2.gz KUHKGZZOFCKPQD-LJQANCHMSA-N 1 3 373.566 2.741 20 0 FFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000578504713 518243541 /nfs/dbraw/zinc/24/35/41/518243541.db2.gz LHMYXCBNUBDPPH-OAHLLOKOSA-N 1 3 358.486 2.580 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000563963208 518250150 /nfs/dbraw/zinc/25/01/50/518250150.db2.gz MAQHDAPMWGLAKE-ILWGZMRPSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000563963208 518250155 /nfs/dbraw/zinc/25/01/55/518250155.db2.gz MAQHDAPMWGLAKE-ILWGZMRPSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000563963208 518250158 /nfs/dbraw/zinc/25/01/58/518250158.db2.gz MAQHDAPMWGLAKE-ILWGZMRPSA-N 1 3 359.558 2.986 20 0 FFADHO Cc1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000575796709 518285585 /nfs/dbraw/zinc/28/55/85/518285585.db2.gz MTNQIVCENILPPD-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000575796709 518285590 /nfs/dbraw/zinc/28/55/90/518285590.db2.gz MTNQIVCENILPPD-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000575796709 518285598 /nfs/dbraw/zinc/28/55/98/518285598.db2.gz MTNQIVCENILPPD-VXKWHMMOSA-N 1 3 368.521 2.889 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC000576012728 518386257 /nfs/dbraw/zinc/38/62/57/518386257.db2.gz HHLUAEZUFMWSJZ-UHFFFAOYSA-N 1 3 368.481 2.942 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC000576012728 518386264 /nfs/dbraw/zinc/38/62/64/518386264.db2.gz HHLUAEZUFMWSJZ-UHFFFAOYSA-N 1 3 368.481 2.942 20 0 FFADHO CCN(C(=O)NCC1CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000564310238 518392770 /nfs/dbraw/zinc/39/27/70/518392770.db2.gz VEJPDUWHSGZESU-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO CSC1(CNC(=O)Nc2cccc(CN(C)C)c2)CC[NH+](C)CC1 ZINC000584558704 518396333 /nfs/dbraw/zinc/39/63/33/518396333.db2.gz FAQHHQGELMGLPC-UHFFFAOYSA-N 1 3 350.532 2.697 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C[C@@]1(C)C[NH3+] ZINC000578849710 518402200 /nfs/dbraw/zinc/40/22/00/518402200.db2.gz LBJJCXDHKQFGOA-LORHWOILSA-N 1 3 364.559 2.757 20 0 FFADHO CSC1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CCN(C)CC1 ZINC000572928067 518422668 /nfs/dbraw/zinc/42/26/68/518422668.db2.gz GNSTZKLHHBIHRV-QGZVFWFLSA-N 1 3 370.607 2.624 20 0 FFADHO CSC1(CNC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CCN(C)CC1 ZINC000572928067 518422673 /nfs/dbraw/zinc/42/26/73/518422673.db2.gz GNSTZKLHHBIHRV-QGZVFWFLSA-N 1 3 370.607 2.624 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H](SC)C3)CC2)CC1 ZINC000578897001 518428154 /nfs/dbraw/zinc/42/81/54/518428154.db2.gz KRNPMSMRDLLHGP-MJGOQNOKSA-N 1 3 367.603 2.973 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000567275621 518442391 /nfs/dbraw/zinc/44/23/91/518442391.db2.gz UNHICDBKWJRMBV-UHFFFAOYSA-N 1 3 371.525 2.510 20 0 FFADHO Cc1ccc(-c2noc([C@H](C)N3CCN(CC[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000564458911 518461276 /nfs/dbraw/zinc/46/12/76/518461276.db2.gz WZSDWJYZZWRSSE-ROUUACIJSA-N 1 3 369.513 2.723 20 0 FFADHO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000570149794 518465692 /nfs/dbraw/zinc/46/56/92/518465692.db2.gz TZIMWJNIUHRJAW-VQIMIIECSA-N 1 3 357.498 2.804 20 0 FFADHO CC(C)CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1CCN(C)CC1 ZINC000582011765 518546342 /nfs/dbraw/zinc/54/63/42/518546342.db2.gz MNTRKRPEYFGQOQ-IBGZPJMESA-N 1 3 367.603 2.783 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)COCC(C)C)C2)s1 ZINC000573287735 518592306 /nfs/dbraw/zinc/59/23/06/518592306.db2.gz ZOAAQSIGBNZZTP-ZWKOTPCHSA-N 1 3 354.560 2.844 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)COCC(C)C)C2)s1 ZINC000573287735 518592310 /nfs/dbraw/zinc/59/23/10/518592310.db2.gz ZOAAQSIGBNZZTP-ZWKOTPCHSA-N 1 3 354.560 2.844 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000570422903 518599851 /nfs/dbraw/zinc/59/98/51/518599851.db2.gz RETVSPRUCWUPBQ-GOSISDBHSA-N 1 3 373.545 2.648 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@H]3CCCC[C@@H]3C[NH3+])c2)C1=O ZINC000567639638 518628117 /nfs/dbraw/zinc/62/81/17/518628117.db2.gz BDQFZSBQNNLMHH-FYINFDKHSA-N 1 3 370.497 2.519 20 0 FFADHO Cc1ccc(-c2nc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)co2)cc1 ZINC000564824477 518634792 /nfs/dbraw/zinc/63/47/92/518634792.db2.gz PMKLRLFRDRUPBP-HSALFYBXSA-N 1 3 355.482 2.939 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000570517266 518645863 /nfs/dbraw/zinc/64/58/63/518645863.db2.gz IBNLACWFTDNTRV-OAQYLSRUSA-N 1 3 362.477 2.688 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000576571499 518657222 /nfs/dbraw/zinc/65/72/22/518657222.db2.gz SFCFAQWKOJXBNB-OXQOHEQNSA-N 1 3 368.525 2.679 20 0 FFADHO CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000582296741 518686018 /nfs/dbraw/zinc/68/60/18/518686018.db2.gz UOKOYDQTDMKYQQ-ROUUACIJSA-N 1 3 350.503 2.535 20 0 FFADHO CN(C)CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1CCCC1 ZINC000582406648 518737834 /nfs/dbraw/zinc/73/78/34/518737834.db2.gz CQBHIAPJCUNSTB-SFHVURJKSA-N 1 3 353.576 2.537 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1CNCc2ccccc21 ZINC000579590330 518754497 /nfs/dbraw/zinc/75/44/97/518754497.db2.gz YMXQCSGVVOFHIA-LMNJBCLMSA-N 1 3 367.468 2.522 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000576837379 518788641 /nfs/dbraw/zinc/78/86/41/518788641.db2.gz JGJDMMINXFPSNE-JYJNAYRXSA-N 1 3 355.320 2.768 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC[C@H](N)C2)cc1Br ZINC000576837379 518788646 /nfs/dbraw/zinc/78/86/46/518788646.db2.gz JGJDMMINXFPSNE-JYJNAYRXSA-N 1 3 355.320 2.768 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1Cc1ccccc1 ZINC000576870859 518805208 /nfs/dbraw/zinc/80/52/08/518805208.db2.gz DKWPLMSNZFHPGA-IWLVTHKOSA-N 1 3 355.526 2.936 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4c(cc3C)OCO4)CC2)CC1 ZINC000573739122 518812483 /nfs/dbraw/zinc/81/24/83/518812483.db2.gz CTCLSUUURHUMRR-UHFFFAOYSA-N 1 3 373.497 2.859 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](OC)c3ccccc3)CC2)CC1 ZINC000565175519 518825424 /nfs/dbraw/zinc/82/54/24/518825424.db2.gz ZWSNSYCLKIGDGH-NRFANRHFSA-N 1 3 373.541 2.687 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000568232932 518941396 /nfs/dbraw/zinc/94/13/96/518941396.db2.gz SCODYGOVOVUROL-BHIYHBOVSA-N 1 3 358.530 2.727 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000574022107 518948994 /nfs/dbraw/zinc/94/89/94/518948994.db2.gz HFUPXJUYMAFBAO-VQTJNVASSA-N 1 3 350.466 2.899 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CC3CCCCC3)cc2)CC1 ZINC000568261127 518955379 /nfs/dbraw/zinc/95/53/79/518955379.db2.gz VVQUEFUWHIXVFA-HXUWFJFHSA-N 1 3 358.530 2.670 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@@H](NCCOC[C@@H]1CCCO1)c1ccccc1O2 ZINC000577256569 518989958 /nfs/dbraw/zinc/98/99/58/518989958.db2.gz PZRXVRIIJQLROZ-PKOBYXMFSA-N 1 3 360.498 2.760 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCCS3)CC2)CC1 ZINC000580092432 519004794 /nfs/dbraw/zinc/00/47/94/519004794.db2.gz GSFLGIKWZXLUAJ-SFHVURJKSA-N 1 3 353.576 2.585 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000571275518 519012518 /nfs/dbraw/zinc/01/25/18/519012518.db2.gz FSCSTSFLNLMZFV-BRWVUGGUSA-N 1 3 355.482 2.573 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000580170534 519041235 /nfs/dbraw/zinc/04/12/35/519041235.db2.gz YABOBJCJIQBFPI-GOSISDBHSA-N 1 3 364.493 2.976 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc2c(c1)CNC2 ZINC000580170534 519041239 /nfs/dbraw/zinc/04/12/39/519041239.db2.gz YABOBJCJIQBFPI-GOSISDBHSA-N 1 3 364.493 2.976 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(Nc2ccncc2)cc1 ZINC000568467278 519049503 /nfs/dbraw/zinc/04/95/03/519049503.db2.gz MROYKLOKULEXIF-HXUWFJFHSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Nc2ccncc2)cc1 ZINC000568467278 519049512 /nfs/dbraw/zinc/04/95/12/519049512.db2.gz MROYKLOKULEXIF-HXUWFJFHSA-N 1 3 350.466 2.994 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577397604 519060971 /nfs/dbraw/zinc/06/09/71/519060971.db2.gz QFOSFELHVDMVGC-TUVASFSCSA-N 1 3 363.468 2.694 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577397604 519060975 /nfs/dbraw/zinc/06/09/75/519060975.db2.gz QFOSFELHVDMVGC-TUVASFSCSA-N 1 3 363.468 2.694 20 0 FFADHO Cc1nc(COc2ccc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)no1 ZINC000577492111 519108406 /nfs/dbraw/zinc/10/84/06/519108406.db2.gz APYGLYIVVTXSSQ-GOSISDBHSA-N 1 3 356.470 2.779 20 0 FFADHO CN(C(=O)[C@H](C[NH3+])c1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000565776937 519128286 /nfs/dbraw/zinc/12/82/86/519128286.db2.gz MWARCQAWBATKBJ-LEWJYISDSA-N 1 3 369.484 2.991 20 0 FFADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577851206 519289449 /nfs/dbraw/zinc/28/94/49/519289449.db2.gz CXWZQOBFJUGLFV-NSHGMRRFSA-N 1 3 373.541 2.974 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cccn3C)CC2)CC1 ZINC000583702185 519390335 /nfs/dbraw/zinc/39/03/35/519390335.db2.gz MNUUURUEFRYADJ-NRFANRHFSA-N 1 3 372.557 2.885 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccccc3Br)C[C@@H]21 ZINC000566244459 519390441 /nfs/dbraw/zinc/39/04/41/519390441.db2.gz WEWQHLPUJCVIFL-KCQAQPDRSA-N 1 3 366.303 2.837 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000572069469 519427721 /nfs/dbraw/zinc/42/77/21/519427721.db2.gz KCZJRCFQMNJWAI-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CCOc1ccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000566433612 519490873 /nfs/dbraw/zinc/49/08/73/519490873.db2.gz SYQIEWKNKNWBBY-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000569334062 519497940 /nfs/dbraw/zinc/49/79/40/519497940.db2.gz VYMXVUXBUGXLBR-WMZOPIPTSA-N 1 3 362.543 2.740 20 0 FFADHO C[C@@H](Cc1cc(Br)ccc1F)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000583929297 519505067 /nfs/dbraw/zinc/50/50/67/519505067.db2.gz APJSSZBKROZKCX-XHDPSFHLSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@@H](Cc1cc(Br)ccc1F)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583929297 519505074 /nfs/dbraw/zinc/50/50/74/519505074.db2.gz APJSSZBKROZKCX-XHDPSFHLSA-N 1 3 359.283 2.564 20 0 FFADHO COCCC[NH+]1CCC(NC[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000575116457 519509374 /nfs/dbraw/zinc/50/93/74/519509374.db2.gz AFVZEAVMSBVOKY-KRWDZBQOSA-N 1 3 374.447 2.699 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3cc(F)ccc3C2)[C@H](C)C1 ZINC000566500042 519522652 /nfs/dbraw/zinc/52/26/52/519522652.db2.gz DARUHHNNXLOWPA-LZQZEXGQSA-N 1 3 350.478 2.856 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3cc(F)ccc3C2)[C@H](C)C1 ZINC000566500042 519522659 /nfs/dbraw/zinc/52/26/59/519522659.db2.gz DARUHHNNXLOWPA-LZQZEXGQSA-N 1 3 350.478 2.856 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000572298035 519542924 /nfs/dbraw/zinc/54/29/24/519542924.db2.gz GNSJYXZISFICBO-QGZVFWFLSA-N 1 3 352.910 2.726 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)N(C)C ZINC000578341841 519546029 /nfs/dbraw/zinc/54/60/29/519546029.db2.gz OBRMEJCPWKCBOW-XEYPJELSSA-N 1 3 360.546 2.968 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)N(C)C ZINC000578341841 519546037 /nfs/dbraw/zinc/54/60/37/519546037.db2.gz OBRMEJCPWKCBOW-XEYPJELSSA-N 1 3 360.546 2.968 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000591563917 519952150 /nfs/dbraw/zinc/95/21/50/519952150.db2.gz ZQZWAXPLVBZEFC-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO COC(=O)c1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000594611577 520054808 /nfs/dbraw/zinc/05/48/08/520054808.db2.gz AGNGLNFFUFDJJU-VDISTLRHSA-N 1 3 355.276 2.666 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000608685098 520080141 /nfs/dbraw/zinc/08/01/41/520080141.db2.gz HIZQYXQNQMPHLU-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000608685098 520080148 /nfs/dbraw/zinc/08/01/48/520080148.db2.gz HIZQYXQNQMPHLU-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000608698018 520087059 /nfs/dbraw/zinc/08/70/59/520087059.db2.gz LBNMTRWZBSOJBC-HXUWFJFHSA-N 1 3 358.530 2.697 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000608698018 520087070 /nfs/dbraw/zinc/08/70/70/520087070.db2.gz LBNMTRWZBSOJBC-HXUWFJFHSA-N 1 3 358.530 2.697 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000608698374 520087560 /nfs/dbraw/zinc/08/75/60/520087560.db2.gz OIWQBLMTDANOOT-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000608698374 520087571 /nfs/dbraw/zinc/08/75/71/520087571.db2.gz OIWQBLMTDANOOT-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000594914448 520215736 /nfs/dbraw/zinc/21/57/36/520215736.db2.gz INAWJDUJVFUOLC-CEWLAPEOSA-N 1 3 373.541 2.684 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000592513323 520430975 /nfs/dbraw/zinc/43/09/75/520430975.db2.gz DWLDPIDZNDNGRE-OAQYLSRUSA-N 1 3 370.541 2.840 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000617502645 520537981 /nfs/dbraw/zinc/53/79/81/520537981.db2.gz XHPDPNUJCQZYRT-JCGIZDLHSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000617502645 520537985 /nfs/dbraw/zinc/53/79/85/520537985.db2.gz XHPDPNUJCQZYRT-JCGIZDLHSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1N1CCCCC1 ZINC000617505536 520541172 /nfs/dbraw/zinc/54/11/72/520541172.db2.gz GTZBIZSIJZQEBB-SFHVURJKSA-N 1 3 360.546 2.679 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1N1CCCCC1 ZINC000617505536 520541180 /nfs/dbraw/zinc/54/11/80/520541180.db2.gz GTZBIZSIJZQEBB-SFHVURJKSA-N 1 3 360.546 2.679 20 0 FFADHO Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2c1 ZINC000617505879 520542214 /nfs/dbraw/zinc/54/22/14/520542214.db2.gz UAJXHINJHSSAMI-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2c1 ZINC000617505879 520542217 /nfs/dbraw/zinc/54/22/17/520542217.db2.gz UAJXHINJHSSAMI-KRWDZBQOSA-N 1 3 358.530 2.797 20 0 FFADHO C[C@@H](CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000617750998 520701631 /nfs/dbraw/zinc/70/16/31/520701631.db2.gz OTZBQVIFOJRCLH-YJBOKZPZSA-N 1 3 371.447 2.897 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)N1CCc2ccccc2C1 ZINC000601244069 520705394 /nfs/dbraw/zinc/70/53/94/520705394.db2.gz GKCORHRWOCRNMR-SFTDATJTSA-N 1 3 372.557 2.995 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000605404429 520862814 /nfs/dbraw/zinc/86/28/14/520862814.db2.gz IUOCPQUUILPEJR-SFHVURJKSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000605404429 520862825 /nfs/dbraw/zinc/86/28/25/520862825.db2.gz IUOCPQUUILPEJR-SFHVURJKSA-N 1 3 365.562 2.648 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000593318647 520906037 /nfs/dbraw/zinc/90/60/37/520906037.db2.gz RBCABOHQGATWKF-OAHLLOKOSA-N 1 3 369.465 2.700 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000599068672 521013137 /nfs/dbraw/zinc/01/31/37/521013137.db2.gz BXLPKCHQAHAQHQ-CVEARBPZSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000599068672 521013145 /nfs/dbraw/zinc/01/31/45/521013145.db2.gz BXLPKCHQAHAQHQ-CVEARBPZSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000599068672 521013153 /nfs/dbraw/zinc/01/31/53/521013153.db2.gz BXLPKCHQAHAQHQ-CVEARBPZSA-N 1 3 361.486 2.512 20 0 FFADHO CN(CCC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1ccncc1 ZINC000618353498 521022355 /nfs/dbraw/zinc/02/23/55/521022355.db2.gz IFVWYIXIDNHPAF-NRFANRHFSA-N 1 3 366.509 2.683 20 0 FFADHO CN(CCC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)c1ccncc1 ZINC000618353498 521022359 /nfs/dbraw/zinc/02/23/59/521022359.db2.gz IFVWYIXIDNHPAF-NRFANRHFSA-N 1 3 366.509 2.683 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCC[C@H]1C ZINC000606638470 521118930 /nfs/dbraw/zinc/11/89/30/521118930.db2.gz KNDDMRBEIAUUHM-MSOLQXFVSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCC[C@H]1C ZINC000606638470 521118938 /nfs/dbraw/zinc/11/89/38/521118938.db2.gz KNDDMRBEIAUUHM-MSOLQXFVSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000606644307 521121897 /nfs/dbraw/zinc/12/18/97/521121897.db2.gz GFPDWFYNHWIJHE-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000606644307 521121907 /nfs/dbraw/zinc/12/19/07/521121907.db2.gz GFPDWFYNHWIJHE-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)C1 ZINC000615357196 521383681 /nfs/dbraw/zinc/38/36/81/521383681.db2.gz WUFLMCSPJNSKJY-RBBKRZOGSA-N 1 3 355.526 2.810 20 0 FFADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCCC1 ZINC000594082411 521396809 /nfs/dbraw/zinc/39/68/09/521396809.db2.gz AQWNGXKCPPUJOS-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000594132921 521424364 /nfs/dbraw/zinc/42/43/64/521424364.db2.gz HBDLSJSDLZKWMZ-NSHGMRRFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000594132921 521424377 /nfs/dbraw/zinc/42/43/77/521424377.db2.gz HBDLSJSDLZKWMZ-NSHGMRRFSA-N 1 3 358.530 2.823 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)c2)n1 ZINC000602666090 521468406 /nfs/dbraw/zinc/46/84/06/521468406.db2.gz JRAWPATXDBQULA-WBVHZDCISA-N 1 3 356.470 2.621 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)n1 ZINC000602666090 521468412 /nfs/dbraw/zinc/46/84/12/521468412.db2.gz JRAWPATXDBQULA-WBVHZDCISA-N 1 3 356.470 2.621 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000615853155 521559315 /nfs/dbraw/zinc/55/93/15/521559315.db2.gz KFHSKJCLSVXPEC-FPOVZHCZSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000615853155 521559323 /nfs/dbraw/zinc/55/93/23/521559323.db2.gz KFHSKJCLSVXPEC-FPOVZHCZSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@@H](CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000634843089 521763011 /nfs/dbraw/zinc/76/30/11/521763011.db2.gz DHXAUUOTUOGKAN-INIZCTEOSA-N 1 3 352.567 2.869 20 0 FFADHO C[N@H+](CCCNC(=O)Nc1ccc2c(c1)OCCNC2)C1CCCCC1 ZINC000625944376 521800657 /nfs/dbraw/zinc/80/06/57/521800657.db2.gz CRPRXLSJZXBUQS-UHFFFAOYSA-N 1 3 360.502 2.945 20 0 FFADHO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1)OCCNC2)C1CCCCC1 ZINC000625944376 521800658 /nfs/dbraw/zinc/80/06/58/521800658.db2.gz CRPRXLSJZXBUQS-UHFFFAOYSA-N 1 3 360.502 2.945 20 0 FFADHO Cc1cn2c(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)c(C)nc2s1 ZINC000623449032 522030922 /nfs/dbraw/zinc/03/09/22/522030922.db2.gz XRYHINDKZQYVCM-ZIAGYGMSSA-N 1 3 350.532 2.992 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623493834 522067164 /nfs/dbraw/zinc/06/71/64/522067164.db2.gz SVWLWSUPXNNMEW-HBFSDRIKSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623493834 522067172 /nfs/dbraw/zinc/06/71/72/522067172.db2.gz SVWLWSUPXNNMEW-HBFSDRIKSA-N 1 3 358.530 2.853 20 0 FFADHO C(c1nc(C2CCCC2)no1)C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000629553761 522309986 /nfs/dbraw/zinc/30/99/86/522309986.db2.gz XMFVPQVAMODNQF-KRWDZBQOSA-N 1 3 360.502 2.503 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1)CN1CCCC1 ZINC000629566683 522321808 /nfs/dbraw/zinc/32/18/08/522321808.db2.gz ZVYGJJDGSVWVGR-WOJBJXKFSA-N 1 3 365.949 2.741 20 0 FFADHO O[C@@H](CNCCCc1ccc(Br)cc1F)C[NH+]1CCCC1 ZINC000629567090 522322195 /nfs/dbraw/zinc/32/21/95/522322195.db2.gz VQWFUCSGXVBTNX-HNNXBMFYSA-N 1 3 359.283 2.567 20 0 FFADHO C[NH2+]CCOCCN(C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000629654400 522374237 /nfs/dbraw/zinc/37/42/37/522374237.db2.gz QPUKQXPJBCREDC-UHFFFAOYSA-N 1 3 365.481 2.602 20 0 FFADHO CN(C)CCOc1cccc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)nc2)c1 ZINC000629700274 522401079 /nfs/dbraw/zinc/40/10/79/522401079.db2.gz IDDLWTDODBUAGJ-SFHVURJKSA-N 1 3 368.481 2.627 20 0 FFADHO CN(C)Cc1ccc(F)c(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)nc2)c1 ZINC000629736843 522426641 /nfs/dbraw/zinc/42/66/41/522426641.db2.gz KTJGIHLZFPCBDB-MRXNPFEDSA-N 1 3 356.445 2.887 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000624074414 522458920 /nfs/dbraw/zinc/45/89/20/522458920.db2.gz BNQACHPGFJWKRE-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000624074414 522458928 /nfs/dbraw/zinc/45/89/28/522458928.db2.gz BNQACHPGFJWKRE-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(CC2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000620817935 522468013 /nfs/dbraw/zinc/46/80/13/522468013.db2.gz KHHDFSUVWMMQCH-SFHVURJKSA-N 1 3 350.551 2.626 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCNC[C@H]1C(C)C)c1ccsc1 ZINC000626933925 522540152 /nfs/dbraw/zinc/54/01/52/522540152.db2.gz PYOHTRXQUWYCLT-IRXDYDNUSA-N 1 3 352.548 2.770 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)cc1 ZINC000633158198 522563816 /nfs/dbraw/zinc/56/38/16/522563816.db2.gz IXXXOTVALIZUFV-YLJYHZDGSA-N 1 3 356.514 2.519 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)cc1 ZINC000633158198 522563817 /nfs/dbraw/zinc/56/38/17/522563817.db2.gz IXXXOTVALIZUFV-YLJYHZDGSA-N 1 3 356.514 2.519 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000627037242 522608320 /nfs/dbraw/zinc/60/83/20/522608320.db2.gz DHEQFQAMINLLSN-IPMKNSEASA-N 1 3 362.518 2.516 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000624344612 522620972 /nfs/dbraw/zinc/62/09/72/522620972.db2.gz NYBCXFJDLFGVEM-DYESRHJHSA-N 1 3 355.526 2.825 20 0 FFADHO CC(C)(CNC(=O)NC[C@H]1CCN1C1CCCCC1)C[NH+]1CCCC1 ZINC000624545762 522765394 /nfs/dbraw/zinc/76/53/94/522765394.db2.gz SSTLEDOXVCXURF-GOSISDBHSA-N 1 3 350.551 2.815 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000624544752 522766722 /nfs/dbraw/zinc/76/67/22/522766722.db2.gz BOJZDSCBBAWWML-QUCCMNQESA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624544752 522766730 /nfs/dbraw/zinc/76/67/30/522766730.db2.gz BOJZDSCBBAWWML-QUCCMNQESA-N 1 3 362.562 2.815 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000627487765 522870777 /nfs/dbraw/zinc/87/07/77/522870777.db2.gz KJFISTYAHGAWTQ-NCYKPQTJSA-N 1 3 355.526 2.697 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000627487765 522870779 /nfs/dbraw/zinc/87/07/79/522870779.db2.gz KJFISTYAHGAWTQ-NCYKPQTJSA-N 1 3 355.526 2.697 20 0 FFADHO CCN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCN(C)CC1 ZINC000627616629 522961870 /nfs/dbraw/zinc/96/18/70/522961870.db2.gz XRCIVJAJWIGBFY-FQEVSTJZSA-N 1 3 357.542 2.884 20 0 FFADHO CCN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCN(C)CC1 ZINC000627616629 522961881 /nfs/dbraw/zinc/96/18/81/522961881.db2.gz XRCIVJAJWIGBFY-FQEVSTJZSA-N 1 3 357.542 2.884 20 0 FFADHO CN1CCC(n2cc(NC(=O)NCC3([NH+](C)C)CCCCC3)cn2)CC1 ZINC000636461448 522994712 /nfs/dbraw/zinc/99/47/12/522994712.db2.gz JCEYSOOPIYIVAY-UHFFFAOYSA-N 1 3 362.522 2.536 20 0 FFADHO C[C@@H](NC1(CNC(=O)CC[C@@H]2CCC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000621649469 522997088 /nfs/dbraw/zinc/99/70/88/522997088.db2.gz JWKJRQOMMJLHNP-MOPGFXCFSA-N 1 3 373.541 2.782 20 0 FFADHO CCn1nccc1CCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000621776464 523068282 /nfs/dbraw/zinc/06/82/82/523068282.db2.gz LMVXRHZETBBJJY-UHFFFAOYSA-N 1 3 356.518 2.515 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000636618382 523100159 /nfs/dbraw/zinc/10/01/59/523100159.db2.gz CUEFLXALBPONFG-IBGZPJMESA-N 1 3 360.546 2.675 20 0 FFADHO CN1CCC(n2cc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2)CC1 ZINC000634096841 523183710 /nfs/dbraw/zinc/18/37/10/523183710.db2.gz YBZSECSUVMQGEU-SFHVURJKSA-N 1 3 367.497 2.610 20 0 FFADHO CN1CCC(n2cc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)CC1 ZINC000634096841 523183720 /nfs/dbraw/zinc/18/37/20/523183720.db2.gz YBZSECSUVMQGEU-SFHVURJKSA-N 1 3 367.497 2.610 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000622004766 523211859 /nfs/dbraw/zinc/21/18/59/523211859.db2.gz UTMXIGDJWLYSAI-AWEZNQCLSA-N 1 3 369.431 2.872 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2)cc1 ZINC000622044993 523236551 /nfs/dbraw/zinc/23/65/51/523236551.db2.gz ZOOVLCWDTVVTNW-FPOVZHCZSA-N 1 3 367.493 2.825 20 0 FFADHO CCO[C@@H](CN1CCN(c2ccccc2OCC[NH+](C)C)CC1)C1CC1 ZINC000625257224 523295642 /nfs/dbraw/zinc/29/56/42/523295642.db2.gz YDKQLAXCQPARLW-NRFANRHFSA-N 1 3 361.530 2.564 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637015096 523366346 /nfs/dbraw/zinc/36/63/46/523366346.db2.gz LLMGQQFGCGXIAL-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC000625466192 523460204 /nfs/dbraw/zinc/46/02/04/523460204.db2.gz OWEIOTBUAAVDGU-YUXAGFNASA-N 1 3 365.521 2.969 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC000625466192 523460207 /nfs/dbraw/zinc/46/02/07/523460207.db2.gz OWEIOTBUAAVDGU-YUXAGFNASA-N 1 3 365.521 2.969 20 0 FFADHO C[C@]1(C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCCS1 ZINC000628312513 523476546 /nfs/dbraw/zinc/47/65/46/523476546.db2.gz FGWJEUFLZJZUPS-HXUWFJFHSA-N 1 3 361.555 2.759 20 0 FFADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000631268944 523505344 /nfs/dbraw/zinc/50/53/44/523505344.db2.gz WGVKPQZCKTTXBK-DFNIBXOVSA-N 1 3 365.562 2.504 20 0 FFADHO O[C@]1(C[NH2+]C[C@H](c2ccco2)N2CCCC2)CCN(Cc2ccccc2)C1 ZINC000634637222 523537939 /nfs/dbraw/zinc/53/79/39/523537939.db2.gz QPQUPMQONWCUHK-IRLDBZIGSA-N 1 3 369.509 2.643 20 0 FFADHO C[C@@](O)(C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000634704296 523591478 /nfs/dbraw/zinc/59/14/78/523591478.db2.gz JHSBELFNIWNOHU-RFQIGKHKSA-N 1 3 358.526 2.684 20 0 FFADHO C[C@@](O)(C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000634704296 523591490 /nfs/dbraw/zinc/59/14/90/523591490.db2.gz JHSBELFNIWNOHU-RFQIGKHKSA-N 1 3 358.526 2.684 20 0 FFADHO CN(CCCNCc1csc(-c2ccc(F)cc2)n1)CC[NH+](C)C ZINC000623088567 523676207 /nfs/dbraw/zinc/67/62/07/523676207.db2.gz SRZSZEAHPNOMAF-UHFFFAOYSA-N 1 3 350.507 2.922 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000637601702 523728748 /nfs/dbraw/zinc/72/87/48/523728748.db2.gz CFEVNSSGRZVRLT-ZFMNYDKASA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000637601702 523728757 /nfs/dbraw/zinc/72/87/57/523728757.db2.gz CFEVNSSGRZVRLT-ZFMNYDKASA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000669128401 568096488 /nfs/dbraw/zinc/09/64/88/568096488.db2.gz ICHZQHABXAIVRG-HMXCVIKNSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000669128401 568096489 /nfs/dbraw/zinc/09/64/89/568096489.db2.gz ICHZQHABXAIVRG-HMXCVIKNSA-N 1 3 357.542 2.882 20 0 FFADHO CC(=O)CCCCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127466763 728706425 /nfs/dbraw/zinc/70/64/25/728706425.db2.gz RDDQGEJHRFPVKZ-UHFFFAOYSA-N 1 3 351.535 2.591 20 0 FFADHO Cc1nn(C)c(Cl)c1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182988480 729293041 /nfs/dbraw/zinc/29/30/41/729293041.db2.gz WBIJISQBLLVBHN-UHFFFAOYSA-N 1 3 354.926 2.706 20 0 FFADHO CSc1nnc(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1CC(C)C ZINC000246944581 729592371 /nfs/dbraw/zinc/59/23/71/729592371.db2.gz SHXIRAMDKCNXPS-CVEARBPZSA-N 1 3 351.564 2.805 20 0 FFADHO CSc1nnc(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1CC(C)C ZINC000246944581 729592373 /nfs/dbraw/zinc/59/23/73/729592373.db2.gz SHXIRAMDKCNXPS-CVEARBPZSA-N 1 3 351.564 2.805 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000638445916 730027434 /nfs/dbraw/zinc/02/74/34/730027434.db2.gz QWIWHTXYNKZLFD-UHFFFAOYSA-N 1 3 359.283 2.913 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)C[C@](C)(O)C3CC3)C2)s1 ZINC000639632549 730091092 /nfs/dbraw/zinc/09/10/92/730091092.db2.gz CBGBJGNWIOTKMG-KPFFTGBYSA-N 1 3 366.571 2.722 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)C[C@](C)(O)C3CC3)C2)s1 ZINC000639632549 730091095 /nfs/dbraw/zinc/09/10/95/730091095.db2.gz CBGBJGNWIOTKMG-KPFFTGBYSA-N 1 3 366.571 2.722 20 0 FFADHO CN(C)S(=O)(=O)c1ccc(CN(C)CCCC[NH+]2CCCCC2)cc1 ZINC000640533975 730158403 /nfs/dbraw/zinc/15/84/03/730158403.db2.gz YQXDOEOSCJARLT-UHFFFAOYSA-N 1 3 367.559 2.635 20 0 FFADHO CC1CCN([C@H](CNC(=O)[C@H]2C[NH2+]CCC2(F)F)c2cccs2)CC1 ZINC000649278010 730873944 /nfs/dbraw/zinc/87/39/44/730873944.db2.gz CPTIHBLYSZAKBA-HUUCEWRRSA-N 1 3 371.497 2.882 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2c(ccnc2Cl)o1 ZINC000866259724 731044401 /nfs/dbraw/zinc/04/44/01/731044401.db2.gz FTRWQOPLFRKCSO-OLZOCXBDSA-N 1 3 364.877 2.719 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnc(C)c3Cl)CC2)CC1 ZINC000654988823 731417235 /nfs/dbraw/zinc/41/72/35/731417235.db2.gz RZYGKEUKRZPAMX-UHFFFAOYSA-N 1 3 364.921 2.600 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H]3C(F)F)CC2)CC1 ZINC000655055874 731424980 /nfs/dbraw/zinc/42/49/80/731424980.db2.gz NAYXSIHLHNYGSX-QGZVFWFLSA-N 1 3 357.489 2.829 20 0 FFADHO COc1cc(Br)c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000655826500 731512862 /nfs/dbraw/zinc/51/28/62/731512862.db2.gz GOEQLRMKNHOZQM-TXEJJXNPSA-N 1 3 357.292 2.896 20 0 FFADHO Clc1ccc2nc(CNCC3CC[NH+](C4CCOCC4)CC3)cn2c1 ZINC000657534547 731788130 /nfs/dbraw/zinc/78/81/30/731788130.db2.gz AVFPURLQLYNDQZ-UHFFFAOYSA-N 1 3 362.905 2.968 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873249362 731895625 /nfs/dbraw/zinc/89/56/25/731895625.db2.gz MSTVAYXBOQSFJC-ZVZYQTTQSA-N 1 3 359.495 2.504 20 0 FFADHO O=c1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)nc2ccc(Cl)cn12 ZINC000662290052 732293028 /nfs/dbraw/zinc/29/30/28/732293028.db2.gz GPFSMPDKRKPICD-HNNXBMFYSA-N 1 3 360.889 2.560 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](CCSc3cccc(Cl)c3)C2)nn1 ZINC000662284690 732293046 /nfs/dbraw/zinc/29/30/46/732293046.db2.gz ZLASLYPNBGAOTG-OAHLLOKOSA-N 1 3 351.907 2.819 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](CCSc3cccc(Cl)c3)C2)nn1 ZINC000662284690 732293048 /nfs/dbraw/zinc/29/30/48/732293048.db2.gz ZLASLYPNBGAOTG-OAHLLOKOSA-N 1 3 351.907 2.819 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc2c1CNC2 ZINC000662426392 732314478 /nfs/dbraw/zinc/31/44/78/732314478.db2.gz RVVAOBITXHXUFP-OAHLLOKOSA-N 1 3 355.507 2.993 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc2c1CNC2 ZINC000662426392 732314483 /nfs/dbraw/zinc/31/44/83/732314483.db2.gz RVVAOBITXHXUFP-OAHLLOKOSA-N 1 3 355.507 2.993 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc2c(s1)CCNC2 ZINC000662504466 732325388 /nfs/dbraw/zinc/32/53/88/732325388.db2.gz HPYYTMLHEZCBSE-UHFFFAOYSA-N 1 3 361.486 2.737 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc2c1CC[NH2+]C2 ZINC000662664783 732344381 /nfs/dbraw/zinc/34/43/81/732344381.db2.gz HHKUKXPFCKSIRT-SFHVURJKSA-N 1 3 355.507 2.961 20 0 FFADHO C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926415907 738613091 /nfs/dbraw/zinc/61/30/91/738613091.db2.gz DUROUZVQLXENBU-RHSMWYFYSA-N 1 3 359.436 2.662 20 0 FFADHO COCCN(Cc1ccnc(Br)c1)CC1CC[NH+](C)CC1 ZINC000879127159 732651459 /nfs/dbraw/zinc/65/14/59/732651459.db2.gz SJNMRVQDXPOTOT-UHFFFAOYSA-N 1 3 356.308 2.634 20 0 FFADHO CC1([NH3+])CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000666989655 732927342 /nfs/dbraw/zinc/92/73/42/732927342.db2.gz SOMVVIMWAKOTIF-UHFFFAOYSA-N 1 3 362.543 2.623 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)CC(F)(F)F)CC2)CC1 ZINC000681960575 734038124 /nfs/dbraw/zinc/03/81/24/734038124.db2.gz JTSVWSQLNZWMFU-UHFFFAOYSA-N 1 3 364.456 2.575 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cncs3)CC2)CC1 ZINC000889512263 734185198 /nfs/dbraw/zinc/18/51/98/734185198.db2.gz JXBSQPXPMWULNX-AWEZNQCLSA-N 1 3 350.532 2.517 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000685443230 734312548 /nfs/dbraw/zinc/31/25/48/734312548.db2.gz FJQSRUFVXVWXMI-QGZVFWFLSA-N 1 3 360.420 2.906 20 0 FFADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000891321777 734413905 /nfs/dbraw/zinc/41/39/05/734413905.db2.gz CCQNXTNUXWYPNP-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(N)ccn2)[C@@H]1c1cccs1 ZINC000891596885 734450304 /nfs/dbraw/zinc/45/03/04/734450304.db2.gz GDLYXZCEJIACQG-SUMWQHHRSA-N 1 3 359.499 2.608 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(N)ccn2)[C@@H]1c1cccs1 ZINC000891596885 734450307 /nfs/dbraw/zinc/45/03/07/734450307.db2.gz GDLYXZCEJIACQG-SUMWQHHRSA-N 1 3 359.499 2.608 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000892432845 734558664 /nfs/dbraw/zinc/55/86/64/734558664.db2.gz BUZYSQBBIVCALL-JQFCIGGWSA-N 1 3 352.910 2.759 20 0 FFADHO CN(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCN(C)C1 ZINC000892499091 734566443 /nfs/dbraw/zinc/56/64/43/734566443.db2.gz OTNYQWMFRYKTBZ-QGZVFWFLSA-N 1 3 364.559 2.696 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCCN(C)C1 ZINC000893201518 734667378 /nfs/dbraw/zinc/66/73/78/734667378.db2.gz ZPUHFAXUDYPMMS-BQFCYCMXSA-N 1 3 364.559 2.867 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCCN(C)C1 ZINC000893201518 734667380 /nfs/dbraw/zinc/66/73/80/734667380.db2.gz ZPUHFAXUDYPMMS-BQFCYCMXSA-N 1 3 364.559 2.867 20 0 FFADHO CC[N@H+](CCC1CCN(C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1)CC1CC1 ZINC000894137668 734807582 /nfs/dbraw/zinc/80/75/82/734807582.db2.gz RSEXDGIRMUAGHJ-IAGOWNOFSA-N 1 3 358.473 2.875 20 0 FFADHO CC[N@@H+](CCC1CCN(C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1)CC1CC1 ZINC000894137668 734807585 /nfs/dbraw/zinc/80/75/85/734807585.db2.gz RSEXDGIRMUAGHJ-IAGOWNOFSA-N 1 3 358.473 2.875 20 0 FFADHO COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1(F)F ZINC000894422945 734855216 /nfs/dbraw/zinc/85/52/16/734855216.db2.gz LRSWQRRTCKCINY-IWCQGFGOSA-N 1 3 352.425 2.541 20 0 FFADHO COCCN(Cc1cc(C)cc(OC)c1OC)CC1CC[NH+](C)CC1 ZINC000895417241 735003620 /nfs/dbraw/zinc/00/36/20/735003620.db2.gz UZPCBEVLGCAFIC-UHFFFAOYSA-N 1 3 350.503 2.802 20 0 FFADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cccc(NS(=O)(=O)C3CC3)c2)C1 ZINC000902513686 735954268 /nfs/dbraw/zinc/95/42/68/735954268.db2.gz GYMFFKXFCNYMNT-GOEBONIOSA-N 1 3 351.516 2.586 20 0 FFADHO c1nc(N2CCOCC2)sc1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904412473 736249529 /nfs/dbraw/zinc/24/95/29/736249529.db2.gz UKBYJMXIHFTYPR-INIZCTEOSA-N 1 3 364.559 2.581 20 0 FFADHO CC[NH+]1CCC(NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000766528911 737238373 /nfs/dbraw/zinc/23/83/73/737238373.db2.gz MGGRVWIUUKCKHN-ZBFHGGJFSA-N 1 3 355.523 2.821 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922385764 738135028 /nfs/dbraw/zinc/13/50/28/738135028.db2.gz AJMVVZWTTNJWDT-PSBWJHGTSA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922385764 738135029 /nfs/dbraw/zinc/13/50/29/738135029.db2.gz AJMVVZWTTNJWDT-PSBWJHGTSA-N 1 3 351.560 2.911 20 0 FFADHO O[C@H](CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(Cl)cc1Cl ZINC000923377292 738277304 /nfs/dbraw/zinc/27/73/04/738277304.db2.gz IHGKGHMYGKBVKW-HYVNUMGLSA-N 1 3 371.308 2.727 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3C[C@H]4COC[C@@H]4O3)C2)s1 ZINC000930373237 739096302 /nfs/dbraw/zinc/09/63/02/739096302.db2.gz ICTXXWLKTHNSQY-DFEOGRTESA-N 1 3 350.528 2.614 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3C[C@H]4COC[C@@H]4O3)C2)s1 ZINC000930373237 739096305 /nfs/dbraw/zinc/09/63/05/739096305.db2.gz ICTXXWLKTHNSQY-DFEOGRTESA-N 1 3 350.528 2.614 20 0 FFADHO C[NH+]1CCN(c2cc(CN[C@@H]3CCc4ccc(Cl)nc43)ccn2)CC1 ZINC000788538020 739256176 /nfs/dbraw/zinc/25/61/76/739256176.db2.gz DDZPOCBAYGAUOY-MRXNPFEDSA-N 1 3 357.889 2.659 20 0 FFADHO CN1CCN(c2cc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)ccn2)CC1 ZINC000788538020 739256178 /nfs/dbraw/zinc/25/61/78/739256178.db2.gz DDZPOCBAYGAUOY-MRXNPFEDSA-N 1 3 357.889 2.659 20 0 FFADHO Cc1csc(C[C@@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000933130164 739574028 /nfs/dbraw/zinc/57/40/28/739574028.db2.gz PXBTUHVHSIYVDL-SFHVURJKSA-N 1 3 350.576 2.732 20 0 FFADHO Cc1csc(C[C@@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000933130164 739574030 /nfs/dbraw/zinc/57/40/30/739574030.db2.gz PXBTUHVHSIYVDL-SFHVURJKSA-N 1 3 350.576 2.732 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933743847 739684051 /nfs/dbraw/zinc/68/40/51/739684051.db2.gz BVHUZQFXKOGTQQ-IFIJOSMWSA-N 1 3 359.297 2.617 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933743847 739684054 /nfs/dbraw/zinc/68/40/54/739684054.db2.gz BVHUZQFXKOGTQQ-IFIJOSMWSA-N 1 3 359.297 2.617 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC000968728048 740722284 /nfs/dbraw/zinc/72/22/84/740722284.db2.gz APPMVAXBURWLJV-BPLDGKMQSA-N 1 3 353.869 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC000968728048 740722286 /nfs/dbraw/zinc/72/22/86/740722286.db2.gz APPMVAXBURWLJV-BPLDGKMQSA-N 1 3 353.869 2.510 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000810208782 741398162 /nfs/dbraw/zinc/39/81/62/741398162.db2.gz GAWSSSYHQUOSQB-UONOGXRCSA-N 1 3 355.324 2.521 20 0 FFADHO CC[C@H]([NH2+]C[C@@]1(COC)CCCN1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817975455 742225907 /nfs/dbraw/zinc/22/59/07/742225907.db2.gz VAHSGXZNINMJNU-FRQCXROJSA-N 1 3 355.523 2.523 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000818973089 742318669 /nfs/dbraw/zinc/31/86/69/742318669.db2.gz QNPOSYXAJVBSBH-ZBEGNZNMSA-N 1 3 357.267 2.696 20 0 FFADHO C[C@@](O)(C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1F ZINC000818972918 742318731 /nfs/dbraw/zinc/31/87/31/742318731.db2.gz OYCOTECMDOWJHC-SJKOYZFVSA-N 1 3 371.294 2.870 20 0 FFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001020172842 742536414 /nfs/dbraw/zinc/53/64/14/742536414.db2.gz FXVALZPFCHUFJM-TYRDWNCCSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001020172842 742536420 /nfs/dbraw/zinc/53/64/20/742536420.db2.gz FXVALZPFCHUFJM-TYRDWNCCSA-N 1 3 351.441 2.603 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3ncc(C)s3)C2)CC[N@@H+]1C ZINC001023994937 742717976 /nfs/dbraw/zinc/71/79/76/742717976.db2.gz JAICCJLBMCILFZ-YESZJQIVSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3ncc(C)s3)C2)CC[N@H+]1C ZINC001023994937 742717980 /nfs/dbraw/zinc/71/79/80/742717980.db2.gz JAICCJLBMCILFZ-YESZJQIVSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC001034939840 742936626 /nfs/dbraw/zinc/93/66/26/742936626.db2.gz OEAAJOVKRVOZKJ-KBRIMQKVSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(Cl)cc2F)CC[N@H+]1C ZINC001034939840 742936630 /nfs/dbraw/zinc/93/66/30/742936630.db2.gz OEAAJOVKRVOZKJ-KBRIMQKVSA-N 1 3 367.896 2.900 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC001038269537 742964908 /nfs/dbraw/zinc/96/49/08/742964908.db2.gz PITNWPXVPQGKCE-YESZJQIVSA-N 1 3 357.489 2.733 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC001038269537 742964914 /nfs/dbraw/zinc/96/49/14/742964914.db2.gz PITNWPXVPQGKCE-YESZJQIVSA-N 1 3 357.489 2.733 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827067349 743498587 /nfs/dbraw/zinc/49/85/87/743498587.db2.gz DQXGTPOXXWCYIA-DUVNUKRYSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827067349 743498594 /nfs/dbraw/zinc/49/85/94/743498594.db2.gz DQXGTPOXXWCYIA-DUVNUKRYSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000830585509 745388222 /nfs/dbraw/zinc/38/82/22/745388222.db2.gz GHTYJDWEZQZALN-RDJZCZTQSA-N 1 3 364.921 2.768 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000830585510 745388415 /nfs/dbraw/zinc/38/84/15/745388415.db2.gz GHTYJDWEZQZALN-WBVHZDCISA-N 1 3 364.921 2.768 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[NH+](C3CCCCC3)CC2)cc(Cl)n1 ZINC000831390361 745523543 /nfs/dbraw/zinc/52/35/43/745523543.db2.gz WUDXUQXYKYCNNC-KRWDZBQOSA-N 1 3 364.921 2.910 20 0 FFADHO [NH2+]=C(NCCCc1nccs1)NC1CCN(Cc2ccccc2)CC1 ZINC000849085026 749047548 /nfs/dbraw/zinc/04/75/48/749047548.db2.gz GYMHLLZRUTVVQG-UHFFFAOYSA-N 1 3 357.527 2.854 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000849104071 749051874 /nfs/dbraw/zinc/05/18/74/749051874.db2.gz BGBFZJVUXDPYFO-HRCADAONSA-N 1 3 365.319 2.903 20 0 FFADHO CC[C@H](NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccs1 ZINC000849276825 749084117 /nfs/dbraw/zinc/08/41/17/749084117.db2.gz QLBGTHQOBHCPTN-GJZGRUSLSA-N 1 3 356.605 2.935 20 0 FFADHO CC[C@H](NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccs1 ZINC000849276825 749084120 /nfs/dbraw/zinc/08/41/20/749084120.db2.gz QLBGTHQOBHCPTN-GJZGRUSLSA-N 1 3 356.605 2.935 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(CCN(C)Cc3ccccc3)CC2)C1 ZINC000659913099 970853664 /nfs/dbraw/zinc/85/36/64/970853664.db2.gz UMEUKTDRQZDHBY-FGZHOGPDSA-N 1 3 372.601 2.714 20 0 FFADHO COc1cc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1Cl ZINC001275834682 1013055161 /nfs/dbraw/zinc/05/51/61/1013055161.db2.gz HVTCRWYDWRUZLD-SQWLQELKSA-N 1 3 367.921 2.625 20 0 FFADHO COc1cc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1Cl ZINC001275834682 1013055145 /nfs/dbraw/zinc/05/51/45/1013055145.db2.gz HVTCRWYDWRUZLD-SQWLQELKSA-N 1 3 367.921 2.625 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087992736 971735782 /nfs/dbraw/zinc/73/57/82/971735782.db2.gz JKIZTDREOAKHEH-QHAWAJNXSA-N 1 3 355.526 2.616 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)cc1 ZINC001087992736 971735788 /nfs/dbraw/zinc/73/57/88/971735788.db2.gz JKIZTDREOAKHEH-QHAWAJNXSA-N 1 3 355.526 2.616 20 0 FFADHO O[C@]1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCOC1 ZINC000652046715 971783937 /nfs/dbraw/zinc/78/39/37/971783937.db2.gz YRPMHYWCOZXDGD-KJJMTIBFSA-N 1 3 358.526 2.808 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C2)cc1 ZINC001088002443 971790089 /nfs/dbraw/zinc/79/00/89/971790089.db2.gz FOMQHOLTFJAUEO-FSSWDIPSSA-N 1 3 371.569 2.904 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C2)cc1 ZINC001088002443 971790092 /nfs/dbraw/zinc/79/00/92/971790092.db2.gz FOMQHOLTFJAUEO-FSSWDIPSSA-N 1 3 371.569 2.904 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C2)cc1 ZINC001088003380 971793922 /nfs/dbraw/zinc/79/39/22/971793922.db2.gz ZICXNJRXVVTNHA-HKBOAZHASA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C2)cc1 ZINC001088003380 971793925 /nfs/dbraw/zinc/79/39/25/971793925.db2.gz ZICXNJRXVVTNHA-HKBOAZHASA-N 1 3 357.542 2.862 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]3C2)cc1 ZINC001088011627 971846646 /nfs/dbraw/zinc/84/66/46/971846646.db2.gz WBHIEHJCGMXBIO-BHIFYINESA-N 1 3 371.569 2.912 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]3C2)cc1 ZINC001088011627 971846652 /nfs/dbraw/zinc/84/66/52/971846652.db2.gz WBHIEHJCGMXBIO-BHIFYINESA-N 1 3 371.569 2.912 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001026856049 972094014 /nfs/dbraw/zinc/09/40/14/972094014.db2.gz SBYSQAJTUFFXBM-ZRGWGRIASA-N 1 3 365.468 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001026856049 972094021 /nfs/dbraw/zinc/09/40/21/972094021.db2.gz SBYSQAJTUFFXBM-ZRGWGRIASA-N 1 3 365.468 2.633 20 0 FFADHO Cc1cc(C)cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000660575028 972260831 /nfs/dbraw/zinc/26/08/31/972260831.db2.gz RQNOHCNZYRYFCF-UHFFFAOYSA-N 1 3 358.530 2.661 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC001266277057 959119023 /nfs/dbraw/zinc/11/90/23/959119023.db2.gz MDEHRSXPBSVPKV-AZUAARDMSA-N 1 3 354.498 2.513 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc3ncccc3c2)CC[N@H+]1C ZINC001266277057 959119034 /nfs/dbraw/zinc/11/90/34/959119034.db2.gz MDEHRSXPBSVPKV-AZUAARDMSA-N 1 3 354.498 2.513 20 0 FFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969687431 959765487 /nfs/dbraw/zinc/76/54/87/959765487.db2.gz BEBKUZTZPGURDB-TYCQWZJGSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969687431 959765494 /nfs/dbraw/zinc/76/54/94/959765494.db2.gz BEBKUZTZPGURDB-TYCQWZJGSA-N 1 3 357.542 2.916 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2ccccc2C2CC2)C1 ZINC000969698369 959773684 /nfs/dbraw/zinc/77/36/84/959773684.db2.gz CWGJYQZVXXJXQE-RZQQEMMASA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2ccccc2C2CC2)C1 ZINC000969698369 959773698 /nfs/dbraw/zinc/77/36/98/959773698.db2.gz CWGJYQZVXXJXQE-RZQQEMMASA-N 1 3 355.526 2.841 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4[C@H]3[C@H]4C(F)(F)F)CC2)CC1 ZINC000655392141 959837971 /nfs/dbraw/zinc/83/79/71/959837971.db2.gz HEELRSWSDMVLNT-ULQDDVLXSA-N 1 3 373.463 2.592 20 0 FFADHO COC[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000397501583 960720108 /nfs/dbraw/zinc/72/01/08/960720108.db2.gz ZFAJKWPNTKREIH-NRFANRHFSA-N 1 3 354.494 2.991 20 0 FFADHO COC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000397501583 960720122 /nfs/dbraw/zinc/72/01/22/960720122.db2.gz ZFAJKWPNTKREIH-NRFANRHFSA-N 1 3 354.494 2.991 20 0 FFADHO Cc1cc(O)cc(C)c1C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001275959310 1013233071 /nfs/dbraw/zinc/23/30/71/1013233071.db2.gz WCIODASOQXNYRR-NRFANRHFSA-N 1 3 359.514 2.528 20 0 FFADHO Cc1cc(O)cc(C)c1C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001275959310 1013233076 /nfs/dbraw/zinc/23/30/76/1013233076.db2.gz WCIODASOQXNYRR-NRFANRHFSA-N 1 3 359.514 2.528 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC=C(Cl)Cl ZINC001104291959 962346818 /nfs/dbraw/zinc/34/68/18/962346818.db2.gz BQYALAFOZAWTRG-XPKDYRNWSA-N 1 3 362.345 2.720 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001104322361 963287788 /nfs/dbraw/zinc/28/77/88/963287788.db2.gz DQGYANLPECEPNG-OIISXLGYSA-N 1 3 359.505 2.692 20 0 FFADHO CCCOc1cccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873218826 1013432252 /nfs/dbraw/zinc/43/22/52/1013432252.db2.gz SBDWHPOISULGDX-UHFFFAOYSA-N 1 3 351.454 2.805 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccncc2Cl)C1)N(C)C ZINC001104346938 963696025 /nfs/dbraw/zinc/69/60/25/963696025.db2.gz LUZZUYBVMDFSIR-QGPMSJSTSA-N 1 3 366.937 2.649 20 0 FFADHO COc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c(C)c1 ZINC000873242794 1013442952 /nfs/dbraw/zinc/44/29/52/1013442952.db2.gz FDOQZKCHFDYFTN-HNNXBMFYSA-N 1 3 351.454 2.894 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000637720351 964098605 /nfs/dbraw/zinc/09/86/05/964098605.db2.gz VHTIPKRVBMZDAF-YZGWKJHDSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000637720351 964098615 /nfs/dbraw/zinc/09/86/15/964098615.db2.gz VHTIPKRVBMZDAF-YZGWKJHDSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786769 964123341 /nfs/dbraw/zinc/12/33/41/964123341.db2.gz XKWVXKUPHDJFOZ-OAHLLOKOSA-N 1 3 374.451 2.881 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(F)cc3C)C2)CC[N@@H+]1C ZINC000971566187 964179388 /nfs/dbraw/zinc/17/93/88/964179388.db2.gz BJGVQYIGUMRCTB-HSALFYBXSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(F)cc3C)C2)CC[N@H+]1C ZINC000971566187 964179395 /nfs/dbraw/zinc/17/93/95/964179395.db2.gz BJGVQYIGUMRCTB-HSALFYBXSA-N 1 3 361.505 2.897 20 0 FFADHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000684390910 964258066 /nfs/dbraw/zinc/25/80/66/964258066.db2.gz KCDRQQZQHPPAHS-WOJBJXKFSA-N 1 3 359.514 2.559 20 0 FFADHO CCN(C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000664437295 964348268 /nfs/dbraw/zinc/34/82/68/964348268.db2.gz SYVHNFYVXVAWCT-JYRKZWEQSA-N 1 3 372.557 2.879 20 0 FFADHO CCN(C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000664437295 964348277 /nfs/dbraw/zinc/34/82/77/964348277.db2.gz SYVHNFYVXVAWCT-JYRKZWEQSA-N 1 3 372.557 2.879 20 0 FFADHO CS(=O)(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167960748 964655941 /nfs/dbraw/zinc/65/59/41/964655941.db2.gz BEWAYNNFQKJNGE-YQQQUEKLSA-N 1 3 362.539 2.628 20 0 FFADHO CS(=O)(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167960748 964655948 /nfs/dbraw/zinc/65/59/48/964655948.db2.gz BEWAYNNFQKJNGE-YQQQUEKLSA-N 1 3 362.539 2.628 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000891704252 964900851 /nfs/dbraw/zinc/90/08/51/964900851.db2.gz SXDULXUCAVRJNY-KRWDZBQOSA-N 1 3 373.545 2.910 20 0 FFADHO CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000664674498 964918004 /nfs/dbraw/zinc/91/80/04/964918004.db2.gz QWRRUJLHVMZUEV-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000664674498 964918045 /nfs/dbraw/zinc/91/80/45/964918045.db2.gz QWRRUJLHVMZUEV-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664709343 965015370 /nfs/dbraw/zinc/01/53/70/965015370.db2.gz BKKAXVJPVUINFQ-UXHICEINSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664709343 965015380 /nfs/dbraw/zinc/01/53/80/965015380.db2.gz BKKAXVJPVUINFQ-UXHICEINSA-N 1 3 358.530 2.633 20 0 FFADHO COc1ccc(C[C@H](CO)C[NH2+]C2CCN(CCC(C)C)CC2)cc1O ZINC000894471853 965399986 /nfs/dbraw/zinc/39/99/86/965399986.db2.gz JDTRHMHFUCUPOU-SFHVURJKSA-N 1 3 364.530 2.652 20 0 FFADHO COc1ccc(C[C@H](CO)CNC2CC[NH+](CCC(C)C)CC2)cc1O ZINC000894471853 965399994 /nfs/dbraw/zinc/39/99/94/965399994.db2.gz JDTRHMHFUCUPOU-SFHVURJKSA-N 1 3 364.530 2.652 20 0 FFADHO C[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000894749924 965664574 /nfs/dbraw/zinc/66/45/74/965664574.db2.gz DQDLWYBHMNQVMN-UZLBHIALSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](NCc1cnn2c1CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000657348757 966250461 /nfs/dbraw/zinc/25/04/61/966250461.db2.gz GWNILDRQYMLHSP-OAHLLOKOSA-N 1 3 357.477 2.571 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977178 967175791 /nfs/dbraw/zinc/17/57/91/967175791.db2.gz YWHSATDZIZHOBG-CGTJXYLNSA-N 1 3 372.513 2.684 20 0 FFADHO CCc1cc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c2ccccc2[nH+]1 ZINC000126292030 967257818 /nfs/dbraw/zinc/25/78/18/967257818.db2.gz QTYIQVKKVYQSGO-LJQANCHMSA-N 1 3 352.482 2.540 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C(C)C)[C@@H]3C2)cc1 ZINC001075785254 967320576 /nfs/dbraw/zinc/32/05/76/967320576.db2.gz WVMWZWKINOSYKC-PCCBWWKXSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C(C)C)[C@@H]3C2)cc1 ZINC001075785254 967320583 /nfs/dbraw/zinc/32/05/83/967320583.db2.gz WVMWZWKINOSYKC-PCCBWWKXSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C(C)C)[C@@H]3C2)cc1 ZINC001075785192 967325345 /nfs/dbraw/zinc/32/53/45/967325345.db2.gz VDFFJHOLKGTOML-FDFHNCONSA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C(C)C)[C@@H]3C2)cc1 ZINC001075785192 967325358 /nfs/dbraw/zinc/32/53/58/967325358.db2.gz VDFFJHOLKGTOML-FDFHNCONSA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C(C)C)[C@@H]3C2)cc1 ZINC001075785191 967325768 /nfs/dbraw/zinc/32/57/68/967325768.db2.gz VDFFJHOLKGTOML-BHDDXSALSA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C(C)C)[C@@H]3C2)cc1 ZINC001075785191 967325776 /nfs/dbraw/zinc/32/57/76/967325776.db2.gz VDFFJHOLKGTOML-BHDDXSALSA-N 1 3 369.553 2.943 20 0 FFADHO COc1cc2c(cc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)O[C@@H](C)C2 ZINC000650721813 967602664 /nfs/dbraw/zinc/60/26/64/967602664.db2.gz CERJHQBKMDTKKD-HEFCWWFNSA-N 1 3 360.498 2.879 20 0 FFADHO Cc1ccccc1[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159879 967640864 /nfs/dbraw/zinc/64/08/64/967640864.db2.gz FPGGNIPRVUFHAM-USXIJHARSA-N 1 3 371.447 2.987 20 0 FFADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639218681 967983441 /nfs/dbraw/zinc/98/34/41/967983441.db2.gz PVHOMMIPUSLWFY-FCEUIQTBSA-N 1 3 357.542 2.791 20 0 FFADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000128076209 968083984 /nfs/dbraw/zinc/08/39/84/968083984.db2.gz KNEBDIVIBKKFQQ-HKUYNNGSSA-N 1 3 359.514 2.694 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1cc(C)ccc1OC ZINC001087578305 968232048 /nfs/dbraw/zinc/23/20/48/968232048.db2.gz MRQPVQFNQBHSEW-RSPOEFSDSA-N 1 3 373.541 2.813 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1cc(C)ccc1OC ZINC001087578305 968232050 /nfs/dbraw/zinc/23/20/50/968232050.db2.gz MRQPVQFNQBHSEW-RSPOEFSDSA-N 1 3 373.541 2.813 20 0 FFADHO COc1cc2ccc([C@H](C)[NH2+]CC3(O)CCN(C)CC3)cc2cc1OC ZINC000657891335 968234085 /nfs/dbraw/zinc/23/40/85/968234085.db2.gz ZECAAQJRAXTVCD-HNNXBMFYSA-N 1 3 358.482 2.964 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCN1CCOC1CCC1 ZINC001087636564 968440548 /nfs/dbraw/zinc/44/05/48/968440548.db2.gz XJTXZQVLTUTJTA-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCN1CCOC1CCC1 ZINC001087636564 968440549 /nfs/dbraw/zinc/44/05/49/968440549.db2.gz XJTXZQVLTUTJTA-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@@H+]1CCOC1CCC1 ZINC001087636564 968440557 /nfs/dbraw/zinc/44/05/57/968440557.db2.gz XJTXZQVLTUTJTA-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@H+]1CCOC1CCC1 ZINC001087636564 968440562 /nfs/dbraw/zinc/44/05/62/968440562.db2.gz XJTXZQVLTUTJTA-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(F)cc1C ZINC001087796697 969103072 /nfs/dbraw/zinc/10/30/72/969103072.db2.gz KJHAZBVSGGIPSS-LSTHTHJFSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(F)cc1C ZINC001087796697 969103081 /nfs/dbraw/zinc/10/30/81/969103081.db2.gz KJHAZBVSGGIPSS-LSTHTHJFSA-N 1 3 361.505 2.945 20 0 FFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658957566 969570891 /nfs/dbraw/zinc/57/08/91/969570891.db2.gz NFLICYRILYAHHF-NHCUHLMSSA-N 1 3 355.526 2.889 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3([NH3+])CCCC3)c(C)c2)CC1 ZINC000658980205 969599965 /nfs/dbraw/zinc/59/99/65/969599965.db2.gz FGWGCSVMJYRCDG-UHFFFAOYSA-N 1 3 359.518 2.530 20 0 FFADHO CC(C)C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH2+][C@H](C)c1ccccc1 ZINC000659470127 969958655 /nfs/dbraw/zinc/95/86/55/969958655.db2.gz WHXTUAZOZODTNQ-QXCFHYIPSA-N 1 3 364.509 2.833 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)[C@@H]1c1ccccc1 ZINC000659473588 969970259 /nfs/dbraw/zinc/97/02/59/969970259.db2.gz KOMIEUIDOSSJRU-ACRUOGEOSA-N 1 3 370.541 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)[C@H]1c1ccccc1 ZINC000659473781 969970438 /nfs/dbraw/zinc/97/04/38/969970438.db2.gz MYSOPPCWPMNVSW-QHAWAJNXSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CCC(F)(F)F ZINC001104682582 970099839 /nfs/dbraw/zinc/09/98/39/970099839.db2.gz WSOINBPJYRALOG-HUUCEWRRSA-N 1 3 365.484 2.991 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001112175188 972593242 /nfs/dbraw/zinc/59/32/42/972593242.db2.gz OUBRETKGJLCZBB-HZPDHXFCSA-N 1 3 361.452 2.663 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@@H]3C2)cc1 ZINC001088105842 972820529 /nfs/dbraw/zinc/82/05/29/972820529.db2.gz DSYWUWYOYZLGQD-FCEUIQTBSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@@H]3C2)cc1 ZINC001088105842 972820541 /nfs/dbraw/zinc/82/05/41/972820541.db2.gz DSYWUWYOYZLGQD-FCEUIQTBSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106170 972822982 /nfs/dbraw/zinc/82/29/82/972822982.db2.gz OXKJHLYLSCOXDR-TYPHKJRUSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106170 972822989 /nfs/dbraw/zinc/82/29/89/972822989.db2.gz OXKJHLYLSCOXDR-TYPHKJRUSA-N 1 3 355.526 2.617 20 0 FFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106898 972827781 /nfs/dbraw/zinc/82/77/81/972827781.db2.gz VYLAUZAJSOCONM-LVCYWYKZSA-N 1 3 365.537 2.945 20 0 FFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106898 972827793 /nfs/dbraw/zinc/82/77/93/972827793.db2.gz VYLAUZAJSOCONM-LVCYWYKZSA-N 1 3 365.537 2.945 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088109495 972839906 /nfs/dbraw/zinc/83/99/06/972839906.db2.gz JBUBWDUAHHWRHA-BYLBRLCDSA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088109495 972839913 /nfs/dbraw/zinc/83/99/13/972839913.db2.gz JBUBWDUAHHWRHA-BYLBRLCDSA-N 1 3 355.526 2.820 20 0 FFADHO Cc1c[nH]nc1C[NH2+]CCCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000896915383 972938348 /nfs/dbraw/zinc/93/83/48/972938348.db2.gz WXPHMZXYGZNDLU-UHFFFAOYSA-N 1 3 365.522 2.531 20 0 FFADHO COC(=O)c1cnc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000896932912 973047598 /nfs/dbraw/zinc/04/75/98/973047598.db2.gz UZNVGBILPSZHNL-RDJZCZTQSA-N 1 3 373.522 2.972 20 0 FFADHO COC(=O)c1cnc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000896932912 973047602 /nfs/dbraw/zinc/04/76/02/973047602.db2.gz UZNVGBILPSZHNL-RDJZCZTQSA-N 1 3 373.522 2.972 20 0 FFADHO COC(=O)c1cnc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000896932912 973047608 /nfs/dbraw/zinc/04/76/08/973047608.db2.gz UZNVGBILPSZHNL-RDJZCZTQSA-N 1 3 373.522 2.972 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)cc1CN1CCCCC1 ZINC000840826014 973378591 /nfs/dbraw/zinc/37/85/91/973378591.db2.gz PUHHDKZCBRMFMH-WMZOPIPTSA-N 1 3 359.514 2.858 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001088212683 973681451 /nfs/dbraw/zinc/68/14/51/973681451.db2.gz IBBDMKJPZINQPR-PMPSAXMXSA-N 1 3 361.452 2.594 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001088212683 973681457 /nfs/dbraw/zinc/68/14/57/973681457.db2.gz IBBDMKJPZINQPR-PMPSAXMXSA-N 1 3 361.452 2.594 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncc(C)c3)CC[C@@H]2C1 ZINC001088212887 973683178 /nfs/dbraw/zinc/68/31/78/973683178.db2.gz ZBNWLNVZDIXHIJ-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncc(C)c3)CC[C@@H]2C1 ZINC001088212887 973683182 /nfs/dbraw/zinc/68/31/82/973683182.db2.gz ZBNWLNVZDIXHIJ-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CCC(C)([NH+](C)C)CC2)o1 ZINC000876111090 1014135284 /nfs/dbraw/zinc/13/52/84/1014135284.db2.gz NPKNJFSYODYRMB-UHFFFAOYSA-N 1 3 364.534 2.924 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000665637688 973784258 /nfs/dbraw/zinc/78/42/58/973784258.db2.gz LPRYKSMLHNQYQB-GJZGRUSLSA-N 1 3 370.488 2.939 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000665637688 973784263 /nfs/dbraw/zinc/78/42/63/973784263.db2.gz LPRYKSMLHNQYQB-GJZGRUSLSA-N 1 3 370.488 2.939 20 0 FFADHO C[C@@H]1C[C@@H](N2CCN(CC(C)(C)O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168066333 973879865 /nfs/dbraw/zinc/87/98/65/973879865.db2.gz NZBBIXWLRTVJII-CEQLMSFQSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@@H]1C[C@@H](N2CCN(CC(C)(C)O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168066333 973879869 /nfs/dbraw/zinc/87/98/69/973879869.db2.gz NZBBIXWLRTVJII-CEQLMSFQSA-N 1 3 359.558 2.817 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000665763993 974093191 /nfs/dbraw/zinc/09/31/91/974093191.db2.gz QYVPABINOJGEDP-PKOBYXMFSA-N 1 3 360.546 2.630 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000665763993 974093195 /nfs/dbraw/zinc/09/31/95/974093195.db2.gz QYVPABINOJGEDP-PKOBYXMFSA-N 1 3 360.546 2.630 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N2CCCC2)c1 ZINC000237312911 974163772 /nfs/dbraw/zinc/16/37/72/974163772.db2.gz UWGVISYXIRGWNY-UTKZUKDTSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661520126 974431419 /nfs/dbraw/zinc/43/14/19/974431419.db2.gz QGTSNIXGSQLZQZ-ZLGUVYLKSA-N 1 3 351.494 2.724 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)c1ccco1 ZINC000652190887 974689626 /nfs/dbraw/zinc/68/96/26/974689626.db2.gz BKLIVRPKZXZIBK-GUYCJALGSA-N 1 3 362.449 2.806 20 0 FFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000652346964 974946394 /nfs/dbraw/zinc/94/63/94/974946394.db2.gz MNTQRDUTKMENBZ-ZIBCJSCZSA-N 1 3 373.541 2.699 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653140146 1014235290 /nfs/dbraw/zinc/23/52/90/1014235290.db2.gz NVXLMWSLMMSXCK-MRXNPFEDSA-N 1 3 371.447 2.985 20 0 FFADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291706 975407702 /nfs/dbraw/zinc/40/77/02/975407702.db2.gz XVZFGHRIVGOUHU-RXVVDRJESA-N 1 3 357.542 2.754 20 0 FFADHO CN(C)[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)Cc1ccccc1 ZINC000662347239 975449256 /nfs/dbraw/zinc/44/92/56/975449256.db2.gz ZCHFIMCETPQALO-RTWAWAEBSA-N 1 3 365.521 2.968 20 0 FFADHO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc2c1CNC2 ZINC000662472675 975587701 /nfs/dbraw/zinc/58/77/01/975587701.db2.gz DCSWMPKYRUMRRS-UHFFFAOYSA-N 1 3 351.494 2.926 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662673815 975816309 /nfs/dbraw/zinc/81/63/09/975816309.db2.gz RWIDUCPFQJUEHJ-UHFFFAOYSA-N 1 3 363.505 2.989 20 0 FFADHO CC[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)N1CCc2ccccc2C1 ZINC000662680416 975818075 /nfs/dbraw/zinc/81/80/75/975818075.db2.gz UXKYINRQYLLCQH-FQEVSTJZSA-N 1 3 363.505 2.899 20 0 FFADHO C[C@H](C(=O)NCCC1CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000653271960 1014291942 /nfs/dbraw/zinc/29/19/42/1014291942.db2.gz SQFCSXSWEQLWSL-GOSISDBHSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466856 975977645 /nfs/dbraw/zinc/97/76/45/975977645.db2.gz ALSKGDJWRTWATJ-NQIIRXRSSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466856 975977655 /nfs/dbraw/zinc/97/76/55/975977655.db2.gz ALSKGDJWRTWATJ-NQIIRXRSSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466856 975977664 /nfs/dbraw/zinc/97/76/64/975977664.db2.gz ALSKGDJWRTWATJ-NQIIRXRSSA-N 1 3 357.542 2.836 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(NCc2nc(-c3ccccc3)cs2)CC1 ZINC000663503141 976070807 /nfs/dbraw/zinc/07/08/07/976070807.db2.gz DZBMASUVIUHZQI-UHFFFAOYSA-N 1 3 372.538 2.890 20 0 FFADHO COc1cccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)c1 ZINC000990759531 976932313 /nfs/dbraw/zinc/93/23/13/976932313.db2.gz CKBDYHUPAIIDOG-ZEFBCVDJSA-N 1 3 371.525 2.649 20 0 FFADHO COc1cccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)c1 ZINC000990759531 976932320 /nfs/dbraw/zinc/93/23/20/976932320.db2.gz CKBDYHUPAIIDOG-ZEFBCVDJSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccc(F)cc2)CC3)CC[N@@H+]1C ZINC000990768104 977004793 /nfs/dbraw/zinc/00/47/93/977004793.db2.gz ZTLSHIYAWYUTLD-ZXFPDNNPSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccc(F)cc2)CC3)CC[N@H+]1C ZINC000990768104 977004800 /nfs/dbraw/zinc/00/48/00/977004800.db2.gz ZTLSHIYAWYUTLD-ZXFPDNNPSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793617 977040023 /nfs/dbraw/zinc/04/00/23/977040023.db2.gz GZBZCKANPUSWTG-QAPCUYQASA-N 1 3 365.481 2.684 20 0 FFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793617 977040035 /nfs/dbraw/zinc/04/00/35/977040035.db2.gz GZBZCKANPUSWTG-QAPCUYQASA-N 1 3 365.481 2.684 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000893878558 977579960 /nfs/dbraw/zinc/57/99/60/977579960.db2.gz SJBUWZVJUQDGSI-DFQSSKMNSA-N 1 3 358.530 2.805 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3cc(C)ns3)CCCC2)CC[N@@H+]1C ZINC001481897040 977741823 /nfs/dbraw/zinc/74/18/23/977741823.db2.gz LWWXAEHITAOYOU-DLBZAZTESA-N 1 3 364.559 2.700 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3cc(C)ns3)CCCC2)CC[N@H+]1C ZINC001481897040 977741833 /nfs/dbraw/zinc/74/18/33/977741833.db2.gz LWWXAEHITAOYOU-DLBZAZTESA-N 1 3 364.559 2.700 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087459729 977981233 /nfs/dbraw/zinc/98/12/33/977981233.db2.gz TXTFFRVADARCKW-PWIZWCRZSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087459729 977981238 /nfs/dbraw/zinc/98/12/38/977981238.db2.gz TXTFFRVADARCKW-PWIZWCRZSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNCc2oc(C(C)C)nc2C)CC[N@@H+]1C ZINC001482103619 978081553 /nfs/dbraw/zinc/08/15/53/978081553.db2.gz XASVILDTUXIYKY-HYVNUMGLSA-N 1 3 364.534 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNCc2oc(C(C)C)nc2C)CC[N@H+]1C ZINC001482103619 978081561 /nfs/dbraw/zinc/08/15/61/978081561.db2.gz XASVILDTUXIYKY-HYVNUMGLSA-N 1 3 364.534 2.679 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000894233691 978359877 /nfs/dbraw/zinc/35/98/77/978359877.db2.gz QYQINQYEKKPJNK-LAUBAEHRSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C ZINC001268702642 978370756 /nfs/dbraw/zinc/37/07/56/978370756.db2.gz DEEWJTVWDHCPDI-LEUOFYLZSA-N 1 3 367.484 2.716 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877343175 1014555982 /nfs/dbraw/zinc/55/59/82/1014555982.db2.gz JOYKBMYCJWLYEC-QGZVFWFLSA-N 1 3 363.461 2.939 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3C[N@H+](CC4CCCC4)C[C@H]32)C1 ZINC001076243624 979277095 /nfs/dbraw/zinc/27/70/95/979277095.db2.gz AGZGKSQILUZTNJ-WAOWUJCRSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3C[N@@H+](CC4CCCC4)C[C@H]32)C1 ZINC001076243624 979277097 /nfs/dbraw/zinc/27/70/97/979277097.db2.gz AGZGKSQILUZTNJ-WAOWUJCRSA-N 1 3 365.537 2.922 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654375291 1014689219 /nfs/dbraw/zinc/68/92/19/1014689219.db2.gz ZEXVVAUHAMTCGM-LEWJYISDSA-N 1 3 370.541 2.751 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654375291 1014689230 /nfs/dbraw/zinc/68/92/30/1014689230.db2.gz ZEXVVAUHAMTCGM-LEWJYISDSA-N 1 3 370.541 2.751 20 0 FFADHO Cc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)nc1 ZINC001211915515 980879721 /nfs/dbraw/zinc/87/97/21/980879721.db2.gz JCURYJRYMSASHS-KRWDZBQOSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)nc1 ZINC001211915515 980879727 /nfs/dbraw/zinc/87/97/27/980879727.db2.gz JCURYJRYMSASHS-KRWDZBQOSA-N 1 3 361.449 2.629 20 0 FFADHO COc1ccc([C@H](CNC(=O)c2ccc(CN)o2)[NH+]2CCCCC2)cc1 ZINC000237329615 981548632 /nfs/dbraw/zinc/54/86/32/981548632.db2.gz OGSVXSCGXLFWJB-SFHVURJKSA-N 1 3 357.454 2.704 20 0 FFADHO COc1ccc([C@@H](CNC(=O)c2ccc(CN)o2)[NH+]2CCCCC2)cc1 ZINC000237490851 981650978 /nfs/dbraw/zinc/65/09/78/981650978.db2.gz OGSVXSCGXLFWJB-GOSISDBHSA-N 1 3 357.454 2.704 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000897853739 982536717 /nfs/dbraw/zinc/53/67/17/982536717.db2.gz WMZVHPPVLGZPEG-CTNGQTDRSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000897853739 982536724 /nfs/dbraw/zinc/53/67/24/982536724.db2.gz WMZVHPPVLGZPEG-CTNGQTDRSA-N 1 3 359.514 2.679 20 0 FFADHO CN(C[C@@H](O)CC1(CO)CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878150529 1014883228 /nfs/dbraw/zinc/88/32/28/1014883228.db2.gz LAMOYTGJMMYSOY-SFTDATJTSA-N 1 3 360.542 2.744 20 0 FFADHO CN(C[C@@H](O)CC1(CO)CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878150529 1014883238 /nfs/dbraw/zinc/88/32/38/1014883238.db2.gz LAMOYTGJMMYSOY-SFTDATJTSA-N 1 3 360.542 2.744 20 0 FFADHO CN1CCCC[C@H]1C(=O)N1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001272744411 984037226 /nfs/dbraw/zinc/03/72/26/984037226.db2.gz DTWXCFNZHUBGAB-IBGZPJMESA-N 1 3 358.530 2.704 20 0 FFADHO CN1CCCC[C@H]1C(=O)N1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001272744411 984037232 /nfs/dbraw/zinc/03/72/32/984037232.db2.gz DTWXCFNZHUBGAB-IBGZPJMESA-N 1 3 358.530 2.704 20 0 FFADHO C[NH+](C)C1(C)CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000913398236 984255096 /nfs/dbraw/zinc/25/50/96/984255096.db2.gz IFXWNLQWGXIWEJ-SFHVURJKSA-N 1 3 361.505 2.980 20 0 FFADHO C[C@H]1CN(Cc2cn3cc(Br)ccc3n2)CCC[C@H]1C[NH3+] ZINC001206011504 1032108381 /nfs/dbraw/zinc/10/83/81/1032108381.db2.gz CWEMJEJUTROKTN-STQMWFEESA-N 1 3 351.292 2.904 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C)ccc3OC)CC2)CC1 ZINC000654467977 984350117 /nfs/dbraw/zinc/35/01/17/984350117.db2.gz KBOXHLZBMTXHDK-UHFFFAOYSA-N 1 3 373.541 2.816 20 0 FFADHO Fc1cccc(O[C@H]2C[C@H]3CN(C4CC[NH+](CC5CC5)CC4)CCN3C2)c1 ZINC001168380894 984374472 /nfs/dbraw/zinc/37/44/72/984374472.db2.gz VDJPJCPKWYVZIB-UNMCSNQZSA-N 1 3 373.516 2.837 20 0 FFADHO Cc1ncccc1C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436543 984536892 /nfs/dbraw/zinc/53/68/92/984536892.db2.gz CDSRELNERPVSOC-TZIWHRDSSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ncccc1C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436543 984536896 /nfs/dbraw/zinc/53/68/96/984536896.db2.gz CDSRELNERPVSOC-TZIWHRDSSA-N 1 3 370.541 2.735 20 0 FFADHO CCCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000669483845 984651870 /nfs/dbraw/zinc/65/18/70/984651870.db2.gz PCICHFFSTXJBEP-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnccc1C)CC2)N(C)C ZINC001107551095 984670136 /nfs/dbraw/zinc/67/01/36/984670136.db2.gz XHIBYHPDDVUSLL-QKNQBKEWSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnccc1C)CC2)N(C)C ZINC001107551095 984670140 /nfs/dbraw/zinc/67/01/40/984670140.db2.gz XHIBYHPDDVUSLL-QKNQBKEWSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2)N(C)C ZINC001107555241 984686639 /nfs/dbraw/zinc/68/66/39/984686639.db2.gz ZHVNPIJSVDCQGJ-LZLYRXPVSA-N 1 3 357.489 2.733 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2)N(C)C ZINC001107555241 984686645 /nfs/dbraw/zinc/68/66/45/984686645.db2.gz ZHVNPIJSVDCQGJ-LZLYRXPVSA-N 1 3 357.489 2.733 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC)CC2 ZINC001107581599 984742797 /nfs/dbraw/zinc/74/27/97/984742797.db2.gz FXABDPDJOMSEFY-TZIWHRDSSA-N 1 3 367.578 2.896 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOC)CC2 ZINC001107581599 984742804 /nfs/dbraw/zinc/74/28/04/984742804.db2.gz FXABDPDJOMSEFY-TZIWHRDSSA-N 1 3 367.578 2.896 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669552640 984771630 /nfs/dbraw/zinc/77/16/30/984771630.db2.gz LGUVWDMUQYXIIV-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1ncc(CN2CC[C@@]3(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]23)o1 ZINC001107613902 984817009 /nfs/dbraw/zinc/81/70/09/984817009.db2.gz DZPCTIWHXQZUQV-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)s1)CC2 ZINC001107614663 984825277 /nfs/dbraw/zinc/82/52/77/984825277.db2.gz GMRWKBHANSCVED-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnc(C)s1)CC2 ZINC001107614663 984825286 /nfs/dbraw/zinc/82/52/86/984825286.db2.gz GMRWKBHANSCVED-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000764930513 984830138 /nfs/dbraw/zinc/83/01/38/984830138.db2.gz AUCYFZCCBJUQTF-QZTJIDSGSA-N 1 3 355.530 2.857 20 0 FFADHO COc1ccc2c(c1)nccc2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000765503229 985145034 /nfs/dbraw/zinc/14/50/34/985145034.db2.gz WIKMRXGBHOGMAM-UHFFFAOYSA-N 1 3 356.470 2.598 20 0 FFADHO O[C@@H](C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)CC1(O)CCCC1 ZINC000878606015 1015127693 /nfs/dbraw/zinc/12/76/93/1015127693.db2.gz MFMKCHCRCNGBIY-NHCUHLMSSA-N 1 3 358.526 2.641 20 0 FFADHO O[C@@H](C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)CC1(O)CCCC1 ZINC000878606015 1015127700 /nfs/dbraw/zinc/12/77/00/1015127700.db2.gz MFMKCHCRCNGBIY-NHCUHLMSSA-N 1 3 358.526 2.641 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000997596310 985580622 /nfs/dbraw/zinc/58/06/22/985580622.db2.gz MDGGONQGMPRIFZ-RZQQEMMASA-N 1 3 361.505 2.883 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000997596310 985580635 /nfs/dbraw/zinc/58/06/35/985580635.db2.gz MDGGONQGMPRIFZ-RZQQEMMASA-N 1 3 361.505 2.883 20 0 FFADHO [NH3+]C[C@@]1(O)CCCN(Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001205239497 985669323 /nfs/dbraw/zinc/66/93/23/985669323.db2.gz CKDMBCCFJMMKMQ-MRXNPFEDSA-N 1 3 352.276 2.606 20 0 FFADHO C[NH+](C)C1(CNC(=S)NC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000063150633 985735863 /nfs/dbraw/zinc/73/58/63/985735863.db2.gz QIPMRKKVOXUXCA-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418202098 986170505 /nfs/dbraw/zinc/17/05/05/986170505.db2.gz INJSNHGOJWYJGL-LMMKCTJWSA-N 1 3 362.518 2.646 20 0 FFADHO C[C@H]1CN(Cc2c[nH]c3ncc(Br)nc23)CCC[C@@H]1C[NH3+] ZINC001206025428 1032112969 /nfs/dbraw/zinc/11/29/69/1032112969.db2.gz NYMQOCJGMUTDDX-WDEREUQCSA-N 1 3 352.280 2.527 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)C3)CC2)CC1 ZINC000655160047 986345083 /nfs/dbraw/zinc/34/50/83/986345083.db2.gz NJCPYOWPACWTEB-IZAXUBKRSA-N 1 3 365.562 2.645 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000088698575 986549930 /nfs/dbraw/zinc/54/99/30/986549930.db2.gz VPIBMQAZHDANNV-LJQANCHMSA-N 1 3 374.529 2.539 20 0 FFADHO COc1cccc([C@]2(C)CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903933254 987109824 /nfs/dbraw/zinc/10/98/24/987109824.db2.gz NFDMGAVEQPEEEN-DYESRHJHSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000673235964 987895356 /nfs/dbraw/zinc/89/53/56/987895356.db2.gz HITKXVFLCBIWNZ-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1 ZINC001106339519 987982485 /nfs/dbraw/zinc/98/24/85/987982485.db2.gz PSFMGZVBVBRSTB-HUUCEWRRSA-N 1 3 367.484 2.879 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1 ZINC001106339519 987982496 /nfs/dbraw/zinc/98/24/96/987982496.db2.gz PSFMGZVBVBRSTB-HUUCEWRRSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@H](CC[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000922254886 988263120 /nfs/dbraw/zinc/26/31/20/988263120.db2.gz OVWGZGJBDJMALA-IAGOWNOFSA-N 1 3 369.550 2.865 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC=C(Cl)Cl)[C@H](C)C1)N(C)C ZINC001106633618 988538651 /nfs/dbraw/zinc/53/86/51/988538651.db2.gz PSXFQRJJCLMPGX-UMVBOHGHSA-N 1 3 350.334 2.576 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc(OC3CC3)c1F)C2 ZINC000922390223 988545312 /nfs/dbraw/zinc/54/53/12/988545312.db2.gz LUXKYZSTHVNLEO-JYWFKMLOSA-N 1 3 362.489 2.936 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc(OC3CC3)c1F)C2 ZINC000922390223 988545323 /nfs/dbraw/zinc/54/53/23/988545323.db2.gz LUXKYZSTHVNLEO-JYWFKMLOSA-N 1 3 362.489 2.936 20 0 FFADHO COc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1OC ZINC000673601299 988771338 /nfs/dbraw/zinc/77/13/38/988771338.db2.gz XQXHYVRCQASOBF-UHFFFAOYSA-N 1 3 361.530 2.660 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247827 1015437352 /nfs/dbraw/zinc/43/73/52/1015437352.db2.gz GMWYKBARKUXBPH-PKOBYXMFSA-N 1 3 371.525 2.823 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOCC2CC2)[C@H](C)C1 ZINC001106775505 989018866 /nfs/dbraw/zinc/01/88/66/989018866.db2.gz LQKNXYBOALLVHW-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001106798828 989137031 /nfs/dbraw/zinc/13/70/31/989137031.db2.gz YLBJUIDYKPCNCG-HUUCEWRRSA-N 1 3 362.345 2.721 20 0 FFADHO O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864056 989338476 /nfs/dbraw/zinc/33/84/76/989338476.db2.gz DDXTVEVXGBQWJV-KRWDZBQOSA-N 1 3 366.425 2.819 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000673877071 989348763 /nfs/dbraw/zinc/34/87/63/989348763.db2.gz YMQXSXFXRVWFBH-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000673877071 989348768 /nfs/dbraw/zinc/34/87/68/989348768.db2.gz YMQXSXFXRVWFBH-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC(N)=O)cc1 ZINC000674068146 989537176 /nfs/dbraw/zinc/53/71/76/989537176.db2.gz SXYXSJOHJCLSTC-DYESRHJHSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC(N)=O)cc1 ZINC000674068146 989537177 /nfs/dbraw/zinc/53/71/77/989537177.db2.gz SXYXSJOHJCLSTC-DYESRHJHSA-N 1 3 351.494 2.715 20 0 FFADHO Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001272656556 989733089 /nfs/dbraw/zinc/73/30/89/989733089.db2.gz XVWBKDTVCXJRPO-IRXDYDNUSA-N 1 3 367.478 2.588 20 0 FFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348230 1015535162 /nfs/dbraw/zinc/53/51/62/1015535162.db2.gz YFRUIZBIILICNN-HZKQSDJQSA-N 1 3 373.541 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3c(F)cccc3F)CC2)CC[N@@H+]1C ZINC001034647468 990149943 /nfs/dbraw/zinc/14/99/43/990149943.db2.gz IMLPHFOXQDDGLT-KLHDSHLOSA-N 1 3 365.468 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3c(F)cccc3F)CC2)CC[N@H+]1C ZINC001034647468 990149946 /nfs/dbraw/zinc/14/99/46/990149946.db2.gz IMLPHFOXQDDGLT-KLHDSHLOSA-N 1 3 365.468 2.822 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000925438421 990212476 /nfs/dbraw/zinc/21/24/76/990212476.db2.gz AKGPKXYEOFMPQB-OQSMONGASA-N 1 3 369.550 2.769 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccn3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089388600 990259331 /nfs/dbraw/zinc/25/93/31/990259331.db2.gz DYSMWJJNLMGCNJ-ZHALLVOQSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccn3)CC(C)(C)C2)CC[N@H+]1C ZINC001089388600 990259336 /nfs/dbraw/zinc/25/93/36/990259336.db2.gz DYSMWJJNLMGCNJ-ZHALLVOQSA-N 1 3 358.530 2.529 20 0 FFADHO C[NH+](C)C[C@@H]1CCCCN1C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000921142474 990996455 /nfs/dbraw/zinc/99/64/55/990996455.db2.gz DNHVGWCBNQFHSM-FQEVSTJZSA-N 1 3 374.598 2.942 20 0 FFADHO Fc1ccc(CN(CCc2ccccn2)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923322852 991067805 /nfs/dbraw/zinc/06/78/05/991067805.db2.gz AUYWUOYUJSYCOB-FQEVSTJZSA-N 1 3 355.457 2.644 20 0 FFADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923458383 991153613 /nfs/dbraw/zinc/15/36/13/991153613.db2.gz OLTNMTGRKGSFFB-LJQANCHMSA-N 1 3 373.541 2.644 20 0 FFADHO Cc1cccn2c(=O)cc(CN3CCC([C@H]4CCC[NH2+]CC4)CC3)nc12 ZINC000923502797 991188394 /nfs/dbraw/zinc/18/83/94/991188394.db2.gz BEIFUXBIVJRSOL-KRWDZBQOSA-N 1 3 354.498 2.605 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079153463 991818633 /nfs/dbraw/zinc/81/86/33/991818633.db2.gz IPVRQJQRCJCBCH-VQTJNVASSA-N 1 3 361.505 2.993 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)CCc2ccccc2F)CC[N@@H+]1C ZINC001485055476 991826954 /nfs/dbraw/zinc/82/69/54/991826954.db2.gz KIMCZZKBKCWPAN-NZSAHSFTSA-N 1 3 361.505 2.631 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)CCc2ccccc2F)CC[N@H+]1C ZINC001485055476 991826958 /nfs/dbraw/zinc/82/69/58/991826958.db2.gz KIMCZZKBKCWPAN-NZSAHSFTSA-N 1 3 361.505 2.631 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001079199798 991875018 /nfs/dbraw/zinc/87/50/18/991875018.db2.gz NUHWLHAMZBXFOU-ZCNNSNEGSA-N 1 3 361.505 2.850 20 0 FFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001079710500 992350513 /nfs/dbraw/zinc/35/05/13/992350513.db2.gz KOHCHSQUZRQKPR-TYCQWZJGSA-N 1 3 355.526 2.527 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(OC)c(C)c3)C[C@H]2C)CC[N@@H+]1C ZINC001079732609 992371140 /nfs/dbraw/zinc/37/11/40/992371140.db2.gz POMIHCJHTOWFRK-GSEOLPGOSA-N 1 3 373.541 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(OC)c(C)c3)C[C@H]2C)CC[N@H+]1C ZINC001079732609 992371149 /nfs/dbraw/zinc/37/11/49/992371149.db2.gz POMIHCJHTOWFRK-GSEOLPGOSA-N 1 3 373.541 2.670 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037332 992686730 /nfs/dbraw/zinc/68/67/30/992686730.db2.gz KCHZCMZFOGZJGL-OXQOHEQNSA-N 1 3 366.509 2.733 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254883 992892069 /nfs/dbraw/zinc/89/20/69/992892069.db2.gz JHTMZGGWSUKTRP-UYAOXDASSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254883 992892075 /nfs/dbraw/zinc/89/20/75/992892075.db2.gz JHTMZGGWSUKTRP-UYAOXDASSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783073 993335974 /nfs/dbraw/zinc/33/59/74/993335974.db2.gz JKGJXUOMMJMKNR-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783073 993335979 /nfs/dbraw/zinc/33/59/79/993335979.db2.gz JKGJXUOMMJMKNR-QWFCFKBJSA-N 1 3 365.562 2.504 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512330837 993662093 /nfs/dbraw/zinc/66/20/93/993662093.db2.gz YNHRDRDXAPVOTR-AEFFLSMTSA-N 1 3 367.484 2.990 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001081175176 993720001 /nfs/dbraw/zinc/72/00/01/993720001.db2.gz UQORULHXVXNHHV-PWRODBHTSA-N 1 3 357.542 2.957 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1 ZINC001081179803 993739370 /nfs/dbraw/zinc/73/93/70/993739370.db2.gz LCPUBUSZWMUDJI-JRGCBEDISA-N 1 3 355.526 2.855 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001131597110 994445516 /nfs/dbraw/zinc/44/55/16/994445516.db2.gz MCKPSNJTGOIWBJ-CTNGQTDRSA-N 1 3 367.578 2.894 20 0 FFADHO CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001131608800 994455442 /nfs/dbraw/zinc/45/54/42/994455442.db2.gz NTIQEKMCBWAJNU-AQNXPRMDSA-N 1 3 365.562 2.647 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CCCC[C@@H]3C)cc2)CC1 ZINC000727105695 994490560 /nfs/dbraw/zinc/49/05/60/994490560.db2.gz MMGNKTOGLQXQFZ-FXAWDEMLSA-N 1 3 358.530 2.935 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000880569613 1015874646 /nfs/dbraw/zinc/87/46/46/1015874646.db2.gz MPXJICRNGQEPPL-OAQYLSRUSA-N 1 3 355.530 2.630 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc2)CC1 ZINC000809869853 994622475 /nfs/dbraw/zinc/62/24/75/994622475.db2.gz CBDLXOIYFTUBSD-KRWDZBQOSA-N 1 3 361.534 2.679 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc2)CC1 ZINC000809869853 994622479 /nfs/dbraw/zinc/62/24/79/994622479.db2.gz CBDLXOIYFTUBSD-KRWDZBQOSA-N 1 3 361.534 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccccc1OC1CC1 ZINC001082560107 994936594 /nfs/dbraw/zinc/93/65/94/994936594.db2.gz ZPBVVLFRGCKCFN-VMRPVKRXSA-N 1 3 371.525 2.505 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC001082561902 994944310 /nfs/dbraw/zinc/94/43/10/994944310.db2.gz YRYDZUJRQUHOOZ-DNVCBOLYSA-N 1 3 363.933 2.803 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1)N(C)C ZINC001082589320 995001507 /nfs/dbraw/zinc/00/15/07/995001507.db2.gz VTOVOLALGIWUPY-CSMYWGQOSA-N 1 3 355.885 2.756 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2OC)C1)N(C)C ZINC001082588963 995001626 /nfs/dbraw/zinc/00/16/26/995001626.db2.gz AGBIFHJEMFWTGL-KBRIMQKVSA-N 1 3 367.921 2.625 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1NCc1ccns1 ZINC001082608028 995054875 /nfs/dbraw/zinc/05/48/75/995054875.db2.gz CKROGDFXDUOLGZ-RHSMWYFYSA-N 1 3 364.559 2.733 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1NCc1ccns1 ZINC001082608028 995054886 /nfs/dbraw/zinc/05/48/86/995054886.db2.gz CKROGDFXDUOLGZ-RHSMWYFYSA-N 1 3 364.559 2.733 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001086695608 995156004 /nfs/dbraw/zinc/15/60/04/995156004.db2.gz YOZZXYJBVWEDLP-DFQSSKMNSA-N 1 3 358.530 2.637 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1)N(C)C ZINC001082747177 995301949 /nfs/dbraw/zinc/30/19/49/995301949.db2.gz CKUBYTZRBJIDND-YSGRDPCXSA-N 1 3 360.546 2.790 20 0 FFADHO CCOC(=O)c1nc(-c2ccccc2)oc1CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498716 1015935340 /nfs/dbraw/zinc/93/53/40/1015935340.db2.gz BZVFRVHTZQKMPX-GDBMZVCRSA-N 1 3 357.454 2.935 20 0 FFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001082743506 995401437 /nfs/dbraw/zinc/40/14/37/995401437.db2.gz HEVIGLKYTWZECC-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)c1 ZINC001082743003 995402041 /nfs/dbraw/zinc/40/20/41/995402041.db2.gz APZSTNUUVIRAQK-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c2ncccc12 ZINC000903508398 1015944144 /nfs/dbraw/zinc/94/41/44/1015944144.db2.gz FRCYWJOWHVAARO-HDICACEKSA-N 1 3 354.473 2.775 20 0 FFADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c2ncccc12 ZINC000903508398 1015944151 /nfs/dbraw/zinc/94/41/51/1015944151.db2.gz FRCYWJOWHVAARO-HDICACEKSA-N 1 3 354.473 2.775 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC001082766892 995451657 /nfs/dbraw/zinc/45/16/57/995451657.db2.gz GYGMZQVMGZPQAU-WRWLIDTKSA-N 1 3 352.482 2.509 20 0 FFADHO Cc1ccncc1CN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134329 1015946155 /nfs/dbraw/zinc/94/61/55/1015946155.db2.gz AAXHBWBFJPXMRY-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccncc1CN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134329 1015946166 /nfs/dbraw/zinc/94/61/66/1015946166.db2.gz AAXHBWBFJPXMRY-SYYKKAFVSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1ccc(F)cc1F ZINC001082783763 995492728 /nfs/dbraw/zinc/49/27/28/995492728.db2.gz NWEJOEHTSFBUKK-AUUYWEPGSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1ccc(F)cc1F ZINC001082863619 995671311 /nfs/dbraw/zinc/67/13/11/995671311.db2.gz MSPMPPWNPMBZDZ-QWQRMKEZSA-N 1 3 363.452 2.558 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001082943271 995881400 /nfs/dbraw/zinc/88/14/00/995881400.db2.gz BARZMBMGQCVAFG-ZMYBRWDISA-N 1 3 365.468 2.776 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001082943496 995881439 /nfs/dbraw/zinc/88/14/39/995881439.db2.gz KQGYMKIYFTYGIK-MAODMQOUSA-N 1 3 368.525 2.979 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001082943554 995881528 /nfs/dbraw/zinc/88/15/28/995881528.db2.gz NYHOQAFUTPAUIQ-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001082943270 995881573 /nfs/dbraw/zinc/88/15/73/995881573.db2.gz BARZMBMGQCVAFG-NIKGAXFTSA-N 1 3 365.468 2.776 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]3C2)cc1 ZINC001084429175 996527971 /nfs/dbraw/zinc/52/79/71/996527971.db2.gz QQCPJLGXWVUTMW-NJYVYQBISA-N 1 3 357.542 2.656 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]3C2)cc1 ZINC001084429175 996527975 /nfs/dbraw/zinc/52/79/75/996527975.db2.gz QQCPJLGXWVUTMW-NJYVYQBISA-N 1 3 357.542 2.656 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21 ZINC001084545630 996665198 /nfs/dbraw/zinc/66/51/98/996665198.db2.gz RTDIYYZRYMHIGC-NJDAHSKKSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001084545630 996665200 /nfs/dbraw/zinc/66/52/00/996665200.db2.gz RTDIYYZRYMHIGC-NJDAHSKKSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21 ZINC001084545773 996666600 /nfs/dbraw/zinc/66/66/00/996666600.db2.gz XZMTXIFCOZDMMC-NJDAHSKKSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001084545773 996666604 /nfs/dbraw/zinc/66/66/04/996666604.db2.gz XZMTXIFCOZDMMC-NJDAHSKKSA-N 1 3 359.558 2.974 20 0 FFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(Cc4ccc(C5CC5)cc4)C[C@H]32)CC1 ZINC001084630748 996736979 /nfs/dbraw/zinc/73/69/79/996736979.db2.gz SURLSCFDTVCLBJ-FGZHOGPDSA-N 1 3 367.537 2.939 20 0 FFADHO Cc1ccn2c(CN3C[C@@H]4C[N@@H+](Cc5ccncc5)CC[C@@H]4C3)cnc2c1 ZINC001136887888 996984399 /nfs/dbraw/zinc/98/43/99/996984399.db2.gz JQBRTHQISSFGLN-UXHICEINSA-N 1 3 361.493 2.992 20 0 FFADHO Cc1ccn2c(CN3C[C@@H]4C[N@H+](Cc5ccncc5)CC[C@@H]4C3)cnc2c1 ZINC001136887888 996984414 /nfs/dbraw/zinc/98/44/14/996984414.db2.gz JQBRTHQISSFGLN-UXHICEINSA-N 1 3 361.493 2.992 20 0 FFADHO CC(C)c1ccccc1CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778212 997315352 /nfs/dbraw/zinc/31/53/52/997315352.db2.gz LTTSQOSZOQJZFN-TZIWHRDSSA-N 1 3 367.537 2.939 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)N(CC)CC ZINC000844163364 997688167 /nfs/dbraw/zinc/68/81/67/997688167.db2.gz BKHNASNWLWWJSJ-GOSISDBHSA-N 1 3 361.486 2.654 20 0 FFADHO CC[C@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21)OC ZINC001084940203 998214407 /nfs/dbraw/zinc/21/44/07/998214407.db2.gz LVPDLXSCTCYJNK-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@H](C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21)OC ZINC001084940203 998214421 /nfs/dbraw/zinc/21/44/21/998214421.db2.gz LVPDLXSCTCYJNK-QRVBRYPASA-N 1 3 365.562 2.599 20 0 FFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092702 998924381 /nfs/dbraw/zinc/92/43/81/998924381.db2.gz MPDMRHCOVZYKIK-HLIPFELVSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092702 998924382 /nfs/dbraw/zinc/92/43/82/998924382.db2.gz MPDMRHCOVZYKIK-HLIPFELVSA-N 1 3 359.489 2.509 20 0 FFADHO COc1cccc(CC2CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)c1 ZINC000903902842 1016297562 /nfs/dbraw/zinc/29/75/62/1016297562.db2.gz ODIAUUXDFMQFFV-FQEVSTJZSA-N 1 3 370.541 2.809 20 0 FFADHO CCN(CCNCc1c(C)cccc1Cl)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381443 999711746 /nfs/dbraw/zinc/71/17/46/999711746.db2.gz GNTJNZBKKIXVNA-HZPDHXFCSA-N 1 3 351.922 2.927 20 0 FFADHO CCN(CCNCc1c(C)cccc1Cl)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273381443 999711747 /nfs/dbraw/zinc/71/17/47/999711747.db2.gz GNTJNZBKKIXVNA-HZPDHXFCSA-N 1 3 351.922 2.927 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001086089831 999758491 /nfs/dbraw/zinc/75/84/91/999758491.db2.gz STLOHZOOBJQPME-WITVHBPWSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001086089831 999758492 /nfs/dbraw/zinc/75/84/92/999758492.db2.gz STLOHZOOBJQPME-WITVHBPWSA-N 1 3 365.468 2.680 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000746138992 999951243 /nfs/dbraw/zinc/95/12/43/999951243.db2.gz LZIJWTUWGXRMHP-CALCHBBNSA-N 1 3 359.514 2.649 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000746138992 999951245 /nfs/dbraw/zinc/95/12/45/999951245.db2.gz LZIJWTUWGXRMHP-CALCHBBNSA-N 1 3 359.514 2.649 20 0 FFADHO CC(C)[NH+]1CCN(C2CCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)CC1 ZINC000677737612 1016370705 /nfs/dbraw/zinc/37/07/05/1016370705.db2.gz IJAOTWAIKJXVFQ-LJQANCHMSA-N 1 3 372.557 2.528 20 0 FFADHO OCCOC1CC[NH+](CCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001168949475 1000011385 /nfs/dbraw/zinc/01/13/85/1000011385.db2.gz MUPBYJJOXFRSHV-UHFFFAOYSA-N 1 3 360.542 2.805 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C2 ZINC001169100031 1000020679 /nfs/dbraw/zinc/02/06/79/1000020679.db2.gz ZTJGXJCTAGZPFT-TUVASFSCSA-N 1 3 359.461 2.846 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000769032118 1000410402 /nfs/dbraw/zinc/41/04/02/1000410402.db2.gz ATKJGNKDZQUINM-UHFFFAOYSA-N 1 3 373.541 2.633 20 0 FFADHO Cc1ccc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C3)cc1 ZINC001109428233 1000440055 /nfs/dbraw/zinc/44/00/55/1000440055.db2.gz USYRWPHZRMCGED-ANULTFPQSA-N 1 3 357.542 2.845 20 0 FFADHO Cc1ccc(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C3)cc1 ZINC001109428233 1000440058 /nfs/dbraw/zinc/44/00/58/1000440058.db2.gz USYRWPHZRMCGED-ANULTFPQSA-N 1 3 357.542 2.845 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCCCO2)CCCC1 ZINC001109565270 1000650273 /nfs/dbraw/zinc/65/02/73/1000650273.db2.gz HYZRSHCXNBQMDJ-YRXWBPOGSA-N 1 3 363.546 2.542 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](C/C=C\c4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001091735762 1001172290 /nfs/dbraw/zinc/17/22/90/1001172290.db2.gz WYXDIIJJUQFOKT-MCJMZAJRSA-N 1 3 367.537 2.964 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](C/C=C\c4ccccc4)C[C@@]3(C)C2)CCC1 ZINC001091735762 1001172294 /nfs/dbraw/zinc/17/22/94/1001172294.db2.gz WYXDIIJJUQFOKT-MCJMZAJRSA-N 1 3 367.537 2.964 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNC/C(Cl)=C\Cl)C1 ZINC001112557394 1001468307 /nfs/dbraw/zinc/46/83/07/1001468307.db2.gz DMIJUMDIHNIPFI-QFYPQXEXSA-N 1 3 362.345 2.866 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNC/C(Cl)=C\Cl)C1 ZINC001112557394 1001468308 /nfs/dbraw/zinc/46/83/08/1001468308.db2.gz DMIJUMDIHNIPFI-QFYPQXEXSA-N 1 3 362.345 2.866 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001112586422 1001538342 /nfs/dbraw/zinc/53/83/42/1001538342.db2.gz YGNNGDRATLVPOO-GYRUETQMSA-N 1 3 362.345 2.864 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001095499128 1016511984 /nfs/dbraw/zinc/51/19/84/1016511984.db2.gz RIFDSXPTAZRJNN-XGXHKWSGSA-N 1 3 361.555 2.887 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001095499128 1016511990 /nfs/dbraw/zinc/51/19/90/1016511990.db2.gz RIFDSXPTAZRJNN-XGXHKWSGSA-N 1 3 361.555 2.887 20 0 FFADHO CN(C(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001182970334 1002110659 /nfs/dbraw/zinc/11/06/59/1002110659.db2.gz YHHWJAZAIOVMEX-CTNGQTDRSA-N 1 3 364.493 2.641 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H]3CN(C/C=C\Cl)C[C@@]3(C)C2)C1 ZINC001092013117 1002285129 /nfs/dbraw/zinc/28/51/29/1002285129.db2.gz IMTLNCKPGBHUPS-HZTZMLRJSA-N 1 3 371.928 2.732 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@H]3CN(C/C=C\Cl)C[C@@]3(C)C2)C1 ZINC001092013117 1002285134 /nfs/dbraw/zinc/28/51/34/1002285134.db2.gz IMTLNCKPGBHUPS-HZTZMLRJSA-N 1 3 371.928 2.732 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1)N(C)C ZINC001092021806 1002299538 /nfs/dbraw/zinc/29/95/38/1002299538.db2.gz IMWHIWLSFROIIW-CBQOVEMMSA-N 1 3 368.525 2.788 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1)N(C)C ZINC001092021806 1002299548 /nfs/dbraw/zinc/29/95/48/1002299548.db2.gz IMWHIWLSFROIIW-CBQOVEMMSA-N 1 3 368.525 2.788 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001092022778 1002300270 /nfs/dbraw/zinc/30/02/70/1002300270.db2.gz DWJHQCILEHKCBC-WIEWUUFDSA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001092022778 1002300276 /nfs/dbraw/zinc/30/02/76/1002300276.db2.gz DWJHQCILEHKCBC-WIEWUUFDSA-N 1 3 355.526 2.820 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1 ZINC001092052076 1002325602 /nfs/dbraw/zinc/32/56/02/1002325602.db2.gz CFISODDSKDNGHY-KNQAVFIVSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1 ZINC001092052076 1002325614 /nfs/dbraw/zinc/32/56/14/1002325614.db2.gz CFISODDSKDNGHY-KNQAVFIVSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)c1 ZINC001092300354 1002629683 /nfs/dbraw/zinc/62/96/83/1002629683.db2.gz WEIASHOLSYZZSO-IRLDBZIGSA-N 1 3 370.541 2.546 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H](C)C2)s1 ZINC001092602530 1003209789 /nfs/dbraw/zinc/20/97/89/1003209789.db2.gz BECZPVJADSYWQP-KYJSFNMBSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H](C)C2)s1 ZINC001092602530 1003209796 /nfs/dbraw/zinc/20/97/96/1003209796.db2.gz BECZPVJADSYWQP-KYJSFNMBSA-N 1 3 364.559 2.508 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001186196539 1003217314 /nfs/dbraw/zinc/21/73/14/1003217314.db2.gz LVECCJKJSAEPRT-ILZDJORESA-N 1 3 361.505 2.852 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001186196539 1003217319 /nfs/dbraw/zinc/21/73/19/1003217319.db2.gz LVECCJKJSAEPRT-ILZDJORESA-N 1 3 361.505 2.852 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001092676493 1003403314 /nfs/dbraw/zinc/40/33/14/1003403314.db2.gz AMCVITDOTXSALI-JOIPMOQBSA-N 1 3 353.938 2.830 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001092676493 1003403320 /nfs/dbraw/zinc/40/33/20/1003403320.db2.gz AMCVITDOTXSALI-JOIPMOQBSA-N 1 3 353.938 2.830 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001092676491 1003403507 /nfs/dbraw/zinc/40/35/07/1003403507.db2.gz AMCVITDOTXSALI-ACKPNBAHSA-N 1 3 353.938 2.830 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001092676491 1003403514 /nfs/dbraw/zinc/40/35/14/1003403514.db2.gz AMCVITDOTXSALI-ACKPNBAHSA-N 1 3 353.938 2.830 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccsc3)C[C@H]2c2ccccc2)C1 ZINC001086623875 1003726968 /nfs/dbraw/zinc/72/69/68/1003726968.db2.gz BNOUOCWKNWGZPN-HSALFYBXSA-N 1 3 369.534 2.784 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccsc3)C[C@H]2c2ccccc2)C1 ZINC001086623875 1003726973 /nfs/dbraw/zinc/72/69/73/1003726973.db2.gz BNOUOCWKNWGZPN-HSALFYBXSA-N 1 3 369.534 2.784 20 0 FFADHO CC[C@@H]1C[C@@H](N2CCN(CC[NH3+])CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170466262 1003833036 /nfs/dbraw/zinc/83/30/36/1003833036.db2.gz XCKXVASZPYQRLF-BCDXTJNWSA-N 1 3 368.566 2.519 20 0 FFADHO Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001095625141 1016884897 /nfs/dbraw/zinc/88/48/97/1016884897.db2.gz ZUZZTBOEKGGEKV-FUMNGEBKSA-N 1 3 359.489 2.840 20 0 FFADHO Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001095625141 1016884913 /nfs/dbraw/zinc/88/49/13/1016884913.db2.gz ZUZZTBOEKGGEKV-FUMNGEBKSA-N 1 3 359.489 2.840 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cnc4ncccc4n3)c3ccccc23)CC1 ZINC001170523839 1004588463 /nfs/dbraw/zinc/58/84/63/1004588463.db2.gz FNRDCAJPKSQAFP-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cccc4ncnn43)c3ccccc23)CC1 ZINC001170528366 1004632665 /nfs/dbraw/zinc/63/26/65/1004632665.db2.gz NTSOJUOOSOSLKC-UHFFFAOYSA-N 1 3 360.465 2.639 20 0 FFADHO CCCCCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743439 1004720222 /nfs/dbraw/zinc/72/02/22/1004720222.db2.gz ZGYZCEOOFMRPJQ-ZHALLVOQSA-N 1 3 361.530 2.973 20 0 FFADHO CCCCCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743439 1004720228 /nfs/dbraw/zinc/72/02/28/1004720228.db2.gz ZGYZCEOOFMRPJQ-ZHALLVOQSA-N 1 3 361.530 2.973 20 0 FFADHO C[N@@H+]1CCC[C@H](C(=O)N2CCC3(CN(CCCC(F)(F)F)C3)CC2)C1 ZINC001273835160 1005113688 /nfs/dbraw/zinc/11/36/88/1005113688.db2.gz LEPYNIRWDPVGSV-HNNXBMFYSA-N 1 3 361.452 2.595 20 0 FFADHO C[N@H+]1CCC[C@H](C(=O)N2CCC3(CN(CCCC(F)(F)F)C3)CC2)C1 ZINC001273835160 1005113692 /nfs/dbraw/zinc/11/36/92/1005113692.db2.gz LEPYNIRWDPVGSV-HNNXBMFYSA-N 1 3 361.452 2.595 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC001200910729 1005141510 /nfs/dbraw/zinc/14/15/10/1005141510.db2.gz IWJGIKUYGGAWSF-UHFFFAOYSA-N 1 3 361.921 2.641 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC001488889059 1005371596 /nfs/dbraw/zinc/37/15/96/1005371596.db2.gz NZWIHMGYFBTUFR-LEWJYISDSA-N 1 3 369.484 2.862 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001488967232 1005388440 /nfs/dbraw/zinc/38/84/40/1005388440.db2.gz DYACEKQYNJQTDK-QFBILLFUSA-N 1 3 356.514 2.883 20 0 FFADHO Cc1oncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001489048750 1005393210 /nfs/dbraw/zinc/39/32/10/1005393210.db2.gz KVMCNQDWXSMQJQ-QAPCUYQASA-N 1 3 364.534 2.678 20 0 FFADHO Cc1oncc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001489048750 1005393212 /nfs/dbraw/zinc/39/32/12/1005393212.db2.gz KVMCNQDWXSMQJQ-QAPCUYQASA-N 1 3 364.534 2.678 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2ccc(F)cc2F)C2CC2)CC[N@@H+]1C ZINC001490666093 1005750369 /nfs/dbraw/zinc/75/03/69/1005750369.db2.gz YJJUTNOWMDRAEP-YTQUADARSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2ccc(F)cc2F)C2CC2)CC[N@H+]1C ZINC001490666093 1005750371 /nfs/dbraw/zinc/75/03/71/1005750371.db2.gz YJJUTNOWMDRAEP-YTQUADARSA-N 1 3 365.468 2.680 20 0 FFADHO CCCCCC[C@](O)(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC ZINC000851859986 1005918650 /nfs/dbraw/zinc/91/86/50/1005918650.db2.gz DBDIQVICFAMSBW-QFUCXCTJSA-N 1 3 366.546 2.810 20 0 FFADHO CCCCCC[C@](O)(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)OC ZINC000851859986 1005918652 /nfs/dbraw/zinc/91/86/52/1005918652.db2.gz DBDIQVICFAMSBW-QFUCXCTJSA-N 1 3 366.546 2.810 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2oc(C)nc2C)C1 ZINC001086712142 1005958963 /nfs/dbraw/zinc/95/89/63/1005958963.db2.gz RDCAEGWUAWSHDN-KSZLIROESA-N 1 3 362.518 2.540 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2oc(C)nc2C)C1 ZINC001086712142 1005958966 /nfs/dbraw/zinc/95/89/66/1005958966.db2.gz RDCAEGWUAWSHDN-KSZLIROESA-N 1 3 362.518 2.540 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001097085365 1017013441 /nfs/dbraw/zinc/01/34/41/1017013441.db2.gz DOKGPYBJLKUDDR-MBDNFAEBSA-N 1 3 367.537 2.812 20 0 FFADHO C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000813861339 1006058488 /nfs/dbraw/zinc/05/84/88/1006058488.db2.gz QXSYVMHDTKESSI-OXQOHEQNSA-N 1 3 359.514 2.682 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001188158752 1006454113 /nfs/dbraw/zinc/45/41/13/1006454113.db2.gz XFTMVICLHKNGFP-AOIWGVFYSA-N 1 3 365.468 2.566 20 0 FFADHO C[C@H]1CN(C[C@H](O)c2cccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000815077813 1006509917 /nfs/dbraw/zinc/50/99/17/1006509917.db2.gz DXRRWFJSIKSDOJ-TZYHBYERSA-N 1 3 367.537 2.831 20 0 FFADHO CCc1ccc(CN2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)cc1 ZINC001188971222 1006828530 /nfs/dbraw/zinc/82/85/30/1006828530.db2.gz RKRCHGJNTGNXSM-VQTJNVASSA-N 1 3 355.526 2.624 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3([NH+](C)C)CCCC3)c(C)c2)CC1 ZINC001135594159 1007061202 /nfs/dbraw/zinc/06/12/02/1007061202.db2.gz BDLVSQJRPVTPIK-UHFFFAOYSA-N 1 3 358.530 2.950 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CCC3CCOCC3)CC2)C1 ZINC001202620531 1007133343 /nfs/dbraw/zinc/13/33/43/1007133343.db2.gz BJTXBXXGEVICSV-SFHVURJKSA-N 1 3 352.519 2.543 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CCC3CCOCC3)CC2)C1 ZINC001202620531 1007133348 /nfs/dbraw/zinc/13/33/48/1007133348.db2.gz BJTXBXXGEVICSV-SFHVURJKSA-N 1 3 352.519 2.543 20 0 FFADHO C[NH2+]CCOc1ccccc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000884200779 1007312031 /nfs/dbraw/zinc/31/20/31/1007312031.db2.gz JVLAIJXTLDLKAY-MJGOQNOKSA-N 1 3 367.493 2.850 20 0 FFADHO COc1nc2ccccc2cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001137208293 1007382582 /nfs/dbraw/zinc/38/25/82/1007382582.db2.gz WSSSWCSXQCSSNN-UHFFFAOYSA-N 1 3 368.525 2.703 20 0 FFADHO C[C@@H](CCCCNCc1cc(C2CC2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861345 1007537860 /nfs/dbraw/zinc/53/78/60/1007537860.db2.gz CVYXVUDSNUMHKD-HDMKZQKVSA-N 1 3 362.518 2.657 20 0 FFADHO C[C@@H](CCCCNCc1cc(C2CC2)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861345 1007537867 /nfs/dbraw/zinc/53/78/67/1007537867.db2.gz CVYXVUDSNUMHKD-HDMKZQKVSA-N 1 3 362.518 2.657 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 ZINC000885862857 1007807558 /nfs/dbraw/zinc/80/75/58/1007807558.db2.gz KSGGDHGGANVOTF-FQEVSTJZSA-N 1 3 359.514 2.512 20 0 FFADHO Cc1oncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086820174 1007898691 /nfs/dbraw/zinc/89/86/91/1007898691.db2.gz SLAIBEFBLFKFEY-QXAKKESOSA-N 1 3 362.518 2.620 20 0 FFADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1C(F)(F)F ZINC000819062466 1008035320 /nfs/dbraw/zinc/03/53/20/1008035320.db2.gz QHBJBPBBSJKFRL-YJBOKZPZSA-N 1 3 372.431 2.972 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2C)cc1CN1CCCCC1 ZINC000858522694 1008374256 /nfs/dbraw/zinc/37/42/56/1008374256.db2.gz HQDZCNUXELYJHR-FXAWDEMLSA-N 1 3 361.530 2.662 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000821861977 1008503889 /nfs/dbraw/zinc/50/38/89/1008503889.db2.gz MVHAUGBOPCNWFM-UHFFFAOYSA-N 1 3 371.525 2.630 20 0 FFADHO C[N@@H+]1CCC[C@H](CNCc2ccc(OCC(N)=O)cc2)[C@@H]1c1cccs1 ZINC001177919040 1008790721 /nfs/dbraw/zinc/79/07/21/1008790721.db2.gz HNMHACRPTINVHH-OXQOHEQNSA-N 1 3 373.522 2.785 20 0 FFADHO C[N@H+]1CCC[C@H](CNCc2ccc(OCC(N)=O)cc2)[C@@H]1c1cccs1 ZINC001177919040 1008790737 /nfs/dbraw/zinc/79/07/37/1008790737.db2.gz HNMHACRPTINVHH-OXQOHEQNSA-N 1 3 373.522 2.785 20 0 FFADHO C[C@H]1CN(CC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000886648197 1008793142 /nfs/dbraw/zinc/79/31/42/1008793142.db2.gz NMRJELVHBBGWPE-BLKABHOGSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@H]1CN(CC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000886648197 1008793152 /nfs/dbraw/zinc/79/31/52/1008793152.db2.gz NMRJELVHBBGWPE-BLKABHOGSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@H]1CN(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000886648197 1008793164 /nfs/dbraw/zinc/79/31/64/1008793164.db2.gz NMRJELVHBBGWPE-BLKABHOGSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@H]1CN(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000886648197 1008793178 /nfs/dbraw/zinc/79/31/78/1008793178.db2.gz NMRJELVHBBGWPE-BLKABHOGSA-N 1 3 357.542 2.550 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000886966929 1008965171 /nfs/dbraw/zinc/96/51/71/1008965171.db2.gz PTNGUYMTZGQGRH-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)C2)C1 ZINC001274172272 1009559678 /nfs/dbraw/zinc/55/96/78/1009559678.db2.gz INMRETDXSFRUJF-QGZVFWFLSA-N 1 3 361.917 2.716 20 0 FFADHO C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)C2)C1 ZINC001274172272 1009559685 /nfs/dbraw/zinc/55/96/85/1009559685.db2.gz INMRETDXSFRUJF-QGZVFWFLSA-N 1 3 361.917 2.716 20 0 FFADHO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001206776952 1032419916 /nfs/dbraw/zinc/41/99/16/1032419916.db2.gz KPDZKJQAYXCOFT-ZRZPHAQCSA-N 1 3 369.550 2.865 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)n1C ZINC001206793141 1032430042 /nfs/dbraw/zinc/43/00/42/1032430042.db2.gz NININGMUERQEMB-WMQCIHAUSA-N 1 3 353.514 2.856 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)n1C ZINC001206793141 1032430046 /nfs/dbraw/zinc/43/00/46/1032430046.db2.gz NININGMUERQEMB-WMQCIHAUSA-N 1 3 353.514 2.856 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CC=C(C(=O)OC)C2)CC1 ZINC000862467691 1009850871 /nfs/dbraw/zinc/85/08/71/1009850871.db2.gz XBHJAIHGGMTFSY-IBGZPJMESA-N 1 3 357.498 2.570 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(Nc3ccncc3)cc2)CC[N@@H+]1C ZINC000889391796 1009937421 /nfs/dbraw/zinc/93/74/21/1009937421.db2.gz WMHUOXVRXDUQBC-JXFKEZNVSA-N 1 3 367.497 2.871 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(Nc3ccncc3)cc2)CC[N@H+]1C ZINC000889391796 1009937426 /nfs/dbraw/zinc/93/74/26/1009937426.db2.gz WMHUOXVRXDUQBC-JXFKEZNVSA-N 1 3 367.497 2.871 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000889769228 1010105044 /nfs/dbraw/zinc/10/50/44/1010105044.db2.gz KGWBVOXHZWABSA-LEWJYISDSA-N 1 3 373.541 2.590 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000889769228 1010105048 /nfs/dbraw/zinc/10/50/48/1010105048.db2.gz KGWBVOXHZWABSA-LEWJYISDSA-N 1 3 373.541 2.590 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093225536 1010167818 /nfs/dbraw/zinc/16/78/18/1010167818.db2.gz MOCNTIJYJAVPIO-YLJYHZDGSA-N 1 3 366.509 2.641 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093225536 1010167826 /nfs/dbraw/zinc/16/78/26/1010167826.db2.gz MOCNTIJYJAVPIO-YLJYHZDGSA-N 1 3 366.509 2.641 20 0 FFADHO CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110142895 1010213647 /nfs/dbraw/zinc/21/36/47/1010213647.db2.gz QCCWCMSOJZORGK-HKBOAZHASA-N 1 3 373.541 2.898 20 0 FFADHO CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001110142895 1010213656 /nfs/dbraw/zinc/21/36/56/1010213656.db2.gz QCCWCMSOJZORGK-HKBOAZHASA-N 1 3 373.541 2.898 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000863491008 1010224945 /nfs/dbraw/zinc/22/49/45/1010224945.db2.gz NUCMHOXHMZPMFN-UHFFFAOYSA-N 1 3 373.541 2.508 20 0 FFADHO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3CCCN(C)[C@@H]3C2)C1 ZINC001182319518 1010490682 /nfs/dbraw/zinc/49/06/82/1010490682.db2.gz UHDRJOPCOGCCLW-PCCBWWKXSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3CCCN(C)[C@@H]3C2)C1 ZINC001182319518 1010490689 /nfs/dbraw/zinc/49/06/89/1010490689.db2.gz UHDRJOPCOGCCLW-PCCBWWKXSA-N 1 3 355.526 2.760 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC001093820458 1010592596 /nfs/dbraw/zinc/59/25/96/1010592596.db2.gz KKTADWDZVSGYKK-GDBMZVCRSA-N 1 3 365.468 2.633 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2C)[C@H](C)C1)N(C)C ZINC001093857509 1010633232 /nfs/dbraw/zinc/63/32/32/1010633232.db2.gz IRECYNKTVXGVGN-ATZDWAIDSA-N 1 3 361.530 2.528 20 0 FFADHO Cc1ccc(CN2CCO[C@@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC000866558844 1011016466 /nfs/dbraw/zinc/01/64/66/1011016466.db2.gz WCQARUQDVYTDIL-QFIPXVFZSA-N 1 3 357.542 2.660 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2)C12CCC[NH+](CCC1)C2 ZINC001094445247 1011133903 /nfs/dbraw/zinc/13/39/03/1011133903.db2.gz SPTVASXHCAIRNZ-CYVDHPBVSA-N 1 3 365.949 2.976 20 0 FFADHO COC(=O)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716733318 1011301937 /nfs/dbraw/zinc/30/19/37/1011301937.db2.gz SDCWBMDSCHLQBP-SXLOBPIMSA-N 1 3 357.498 2.860 20 0 FFADHO CN1C(C)(C)CC([NH2+][C@H](CN2C(=O)CCC2=O)C(C)(C)C)CC1(C)C ZINC001171629903 1011392751 /nfs/dbraw/zinc/39/27/51/1011392751.db2.gz ZEPPGOJIRPLWJC-OAHLLOKOSA-N 1 3 351.535 2.791 20 0 FFADHO C[NH+]1C(C)(C)CC(N[C@H](CN2C(=O)CCC2=O)C(C)(C)C)CC1(C)C ZINC001171629903 1011392766 /nfs/dbraw/zinc/39/27/66/1011392766.db2.gz ZEPPGOJIRPLWJC-OAHLLOKOSA-N 1 3 351.535 2.791 20 0 FFADHO CN1C(C)(C)CC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC001171620816 1011404298 /nfs/dbraw/zinc/40/42/98/1011404298.db2.gz FVAZMYZZUDFKRP-CVEARBPZSA-N 1 3 369.550 2.598 20 0 FFADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC001171620816 1011404306 /nfs/dbraw/zinc/40/43/06/1011404306.db2.gz FVAZMYZZUDFKRP-CVEARBPZSA-N 1 3 369.550 2.598 20 0 FFADHO C[C@H](C[NH3+])CN(Cc1ccccc1)[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171694994 1011448344 /nfs/dbraw/zinc/44/83/44/1011448344.db2.gz RYDMGABEFYMDBR-NVXWUHKLSA-N 1 3 361.486 2.619 20 0 FFADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000645383226 1011462379 /nfs/dbraw/zinc/46/23/79/1011462379.db2.gz AZCKUBWHCRRTKX-HXUWFJFHSA-N 1 3 373.522 2.563 20 0 FFADHO O=C1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CCN1C1CC1 ZINC001172005603 1011563912 /nfs/dbraw/zinc/56/39/12/1011563912.db2.gz QPZUFDGGKPGYCJ-SFHVURJKSA-N 1 3 359.489 2.781 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172114260 1011644307 /nfs/dbraw/zinc/64/43/07/1011644307.db2.gz MSHXXLXWXRXQAS-MHORFTMASA-N 1 3 367.534 2.617 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172114260 1011644319 /nfs/dbraw/zinc/64/43/19/1011644319.db2.gz MSHXXLXWXRXQAS-MHORFTMASA-N 1 3 367.534 2.617 20 0 FFADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172283084 1011750058 /nfs/dbraw/zinc/75/00/58/1011750058.db2.gz IHEOWSHCCBUCIS-VQTJNVASSA-N 1 3 373.541 2.952 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000646112334 1011752027 /nfs/dbraw/zinc/75/20/27/1011752027.db2.gz NMPMCFWAZLJRTP-MRXNPFEDSA-N 1 3 367.493 2.593 20 0 FFADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000646279247 1011830976 /nfs/dbraw/zinc/83/09/76/1011830976.db2.gz ZMBWNKWJESBFFJ-HXUWFJFHSA-N 1 3 353.466 2.843 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646377943 1011888035 /nfs/dbraw/zinc/88/80/35/1011888035.db2.gz CDBPLBUUVLQPPK-HKBOAZHASA-N 1 3 355.526 2.889 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000646407982 1011912259 /nfs/dbraw/zinc/91/22/59/1011912259.db2.gz DUMGPDPVCDJHSP-QHAWAJNXSA-N 1 3 355.526 2.575 20 0 FFADHO COc1ccccc1[C@@H](N)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000646603691 1012064080 /nfs/dbraw/zinc/06/40/80/1012064080.db2.gz RWQDSGHKDOWYGI-IBGZPJMESA-N 1 3 353.466 2.721 20 0 FFADHO CCCN1C[C@@H]2C[NH+](C3CCN(C(=O)c4ccc(F)cc4)CC3)C[C@H]2C1 ZINC001173004713 1012173261 /nfs/dbraw/zinc/17/32/61/1012173261.db2.gz FCEUADZAMGCKAE-QZTJIDSGSA-N 1 3 359.489 2.704 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ncsc4C3)cc2)CC1 ZINC001173124411 1012263660 /nfs/dbraw/zinc/26/36/60/1012263660.db2.gz ORMHAKUQXPGXDG-LJQANCHMSA-N 1 3 370.566 2.928 20 0 FFADHO CCSC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001173288652 1012434214 /nfs/dbraw/zinc/43/42/14/1012434214.db2.gz XKXDHYHKFOTRSL-AEFFLSMTSA-N 1 3 363.571 2.533 20 0 FFADHO CCCN1C[C@H]2C[NH+](C3CCN(C(=O)c4ccc(OC)cc4)CC3)C[C@@H]2C1 ZINC001173412105 1012538560 /nfs/dbraw/zinc/53/85/60/1012538560.db2.gz ZBUNIHMFRNILDK-OALUTQOASA-N 1 3 371.525 2.573 20 0 FFADHO CN1CC[C@@H]2C[N@@H+](C3CCN(C(=O)c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001173417144 1012541777 /nfs/dbraw/zinc/54/17/77/1012541777.db2.gz DHJZDJYWFMNAQH-SJORKVTESA-N 1 3 361.917 2.828 20 0 FFADHO CN1CC[C@@H]2C[N@H+](C3CCN(C(=O)c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001173417144 1012541786 /nfs/dbraw/zinc/54/17/86/1012541786.db2.gz DHJZDJYWFMNAQH-SJORKVTESA-N 1 3 361.917 2.828 20 0 FFADHO OC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000796382847 1012544192 /nfs/dbraw/zinc/54/41/92/1012544192.db2.gz JEUBAGPTHKLBLF-NRFANRHFSA-N 1 3 357.542 2.574 20 0 FFADHO OC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000796382847 1012544200 /nfs/dbraw/zinc/54/42/00/1012544200.db2.gz JEUBAGPTHKLBLF-NRFANRHFSA-N 1 3 357.542 2.574 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000647974899 1012647587 /nfs/dbraw/zinc/64/75/87/1012647587.db2.gz ASIABHFNNQJPRU-PHMMFBKASA-N 1 3 359.558 2.783 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@](C[NH3+])(C(C)(C)C)C3)cc2)CC1 ZINC000870993461 1012672358 /nfs/dbraw/zinc/67/23/58/1012672358.db2.gz ZMKCZHCLBSHOPX-QFIPXVFZSA-N 1 3 372.557 2.666 20 0 FFADHO [NH3+]CCN1CCN([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173700629 1012904502 /nfs/dbraw/zinc/90/45/02/1012904502.db2.gz LNYRHUWGAVRTRA-JOCHJYFZSA-N 1 3 365.521 2.699 20 0 FFADHO [NH3+]C1(c2cccc(Cl)c2)CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173740086 1012931061 /nfs/dbraw/zinc/93/10/61/1012931061.db2.gz ILYBVFLAWFAUFD-SJORKVTESA-N 1 3 360.893 2.760 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173742495 1012932947 /nfs/dbraw/zinc/93/29/47/1012932947.db2.gz KROBENZPQXZDFK-IRXDYDNUSA-N 1 3 374.920 2.846 20 0 FFADHO c1nnn([C@H]2CCC[C@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)C2)n1 ZINC001173764975 1012957308 /nfs/dbraw/zinc/95/73/08/1012957308.db2.gz CBTHAJLYZCLMMQ-PMACEKPBSA-N 1 3 366.513 2.755 20 0 FFADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CCc1ccc(F)cc1)CC2 ZINC001275752252 1012959044 /nfs/dbraw/zinc/95/90/44/1012959044.db2.gz CMNYXUAJEWZKQF-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001275769968 1012983421 /nfs/dbraw/zinc/98/34/21/1012983421.db2.gz BEFICJHVENEISE-IPMKNSEASA-N 1 3 367.578 2.581 20 0 FFADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001275769968 1012983431 /nfs/dbraw/zinc/98/34/31/1012983431.db2.gz BEFICJHVENEISE-IPMKNSEASA-N 1 3 367.578 2.581 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001097220339 1017208646 /nfs/dbraw/zinc/20/86/46/1017208646.db2.gz OTJHERQLDCRTLH-LFGUQSLTSA-N 1 3 363.546 2.540 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001097220339 1017208658 /nfs/dbraw/zinc/20/86/58/1017208658.db2.gz OTJHERQLDCRTLH-LFGUQSLTSA-N 1 3 363.546 2.540 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ncccc3C)CC2)CC[N@@H+]1C ZINC001052394882 1017396007 /nfs/dbraw/zinc/39/60/07/1017396007.db2.gz GMNVTXHWDNCUQD-WSTZPKSXSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ncccc3C)CC2)CC[N@H+]1C ZINC001052394882 1017396022 /nfs/dbraw/zinc/39/60/22/1017396022.db2.gz GMNVTXHWDNCUQD-WSTZPKSXSA-N 1 3 358.530 2.591 20 0 FFADHO [NH3+][C@@H](C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C1CCC1 ZINC000828443717 1032702718 /nfs/dbraw/zinc/70/27/18/1032702718.db2.gz HAYFPDVFQDYGGS-HXUWFJFHSA-N 1 3 372.513 2.957 20 0 FFADHO C[C@@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679722531 1017594980 /nfs/dbraw/zinc/59/49/80/1017594980.db2.gz DJKWGMAZZITNES-LZLYRXPVSA-N 1 3 354.502 2.966 20 0 FFADHO C[C@@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679722531 1017594990 /nfs/dbraw/zinc/59/49/90/1017594990.db2.gz DJKWGMAZZITNES-LZLYRXPVSA-N 1 3 354.502 2.966 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000925508479 1017771927 /nfs/dbraw/zinc/77/19/27/1017771927.db2.gz GOISCXNAXODTCC-AABGKKOBSA-N 1 3 355.526 2.905 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)ncn1 ZINC000925619777 1017801054 /nfs/dbraw/zinc/80/10/54/1017801054.db2.gz AXJKBYZXGAOYRN-UFYCRDLUSA-N 1 3 357.546 2.766 20 0 FFADHO CCc1cc(N2CCC[C@H]([NH2+][C@H]3CCNC[C@H]3C3CCCC3)C2)ncn1 ZINC000925619777 1017801072 /nfs/dbraw/zinc/80/10/72/1017801072.db2.gz AXJKBYZXGAOYRN-UFYCRDLUSA-N 1 3 357.546 2.766 20 0 FFADHO COc1ccc([C@@H](NCCN2CCC([NH3+])CC2)c2ccc(F)cc2)cc1 ZINC000925816231 1017858032 /nfs/dbraw/zinc/85/80/32/1017858032.db2.gz XEVAZILBYLBZSC-NRFANRHFSA-N 1 3 357.473 2.936 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1 ZINC001097778902 1017917879 /nfs/dbraw/zinc/91/78/79/1017917879.db2.gz AOBRPDCKIOELOC-NJYVYQBISA-N 1 3 355.526 2.812 20 0 FFADHO CC(C)(C)[NH+]1CCC(N[C@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679044704 1017923912 /nfs/dbraw/zinc/92/39/12/1017923912.db2.gz PNYMJABMRZHWSH-JOCHJYFZSA-N 1 3 359.558 2.866 20 0 FFADHO c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc2c1[nH]c1c2C[NH2+]CC1 ZINC001217450490 1032739391 /nfs/dbraw/zinc/73/93/91/1032739391.db2.gz AZXAVWBTIPKXHR-UHFFFAOYSA-N 1 3 372.432 2.571 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001222089551 1032749537 /nfs/dbraw/zinc/74/95/37/1032749537.db2.gz NMGAZRKMIGQBIU-QZTJIDSGSA-N 1 3 369.500 2.831 20 0 FFADHO CC(C)CCN1CCC([NH2+]Cc2ccc(CN3CCNC3=O)cc2)CC1 ZINC000926805720 1018257457 /nfs/dbraw/zinc/25/74/57/1018257457.db2.gz DBCKOIARIQJFAF-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](C[C@@H]2CCOC2)C1)c1ccccc1 ZINC000681219413 1018419778 /nfs/dbraw/zinc/41/97/78/1018419778.db2.gz VVZOXHSBNYDJQB-SVFBPWRDSA-N 1 3 373.541 2.544 20 0 FFADHO CC(C)Oc1cc(CN2CCNC3(CC[NH2+]CC3)C2)cc(OC(C)C)c1 ZINC001222109649 1032763243 /nfs/dbraw/zinc/76/32/43/1032763243.db2.gz MOIMFCFHSOJUFY-UHFFFAOYSA-N 1 3 361.530 2.788 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4cnccc4C)C3)C2)CC[N@@H+]1C ZINC001041302393 1018776061 /nfs/dbraw/zinc/77/60/61/1018776061.db2.gz WGHOCJTWUCQFQK-VWPQPMDRSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CCN(Cc4cnccc4C)C3)C2)CC[N@H+]1C ZINC001041302393 1018776070 /nfs/dbraw/zinc/77/60/70/1018776070.db2.gz WGHOCJTWUCQFQK-VWPQPMDRSA-N 1 3 370.541 2.545 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1 ZINC001110956574 1019226432 /nfs/dbraw/zinc/22/64/32/1019226432.db2.gz OXVVSFFDHPFUFA-AQNXPRMDSA-N 1 3 355.526 2.812 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2cccnc21 ZINC001110958964 1019252855 /nfs/dbraw/zinc/25/28/55/1019252855.db2.gz BQODNITWHSSHPX-AQNXPRMDSA-N 1 3 366.509 2.798 20 0 FFADHO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(C)CC2)C3)cc1 ZINC001098096892 1019505969 /nfs/dbraw/zinc/50/59/69/1019505969.db2.gz KQQRVZGFIVBTCB-NRSPTQNISA-N 1 3 371.525 2.649 20 0 FFADHO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(C)CC2)C3)cc1 ZINC001098096892 1019505990 /nfs/dbraw/zinc/50/59/90/1019505990.db2.gz KQQRVZGFIVBTCB-NRSPTQNISA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)o2)CC[C@H]1N1CCN(C)CC1 ZINC000930137416 1019887262 /nfs/dbraw/zinc/88/72/62/1019887262.db2.gz SYCQLJAEMDSVRW-YLJYHZDGSA-N 1 3 354.498 2.799 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)CC[C@H]1N1CCN(C)CC1 ZINC000930137416 1019887270 /nfs/dbraw/zinc/88/72/70/1019887270.db2.gz SYCQLJAEMDSVRW-YLJYHZDGSA-N 1 3 354.498 2.799 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000827954041 1020043789 /nfs/dbraw/zinc/04/37/89/1020043789.db2.gz CIYMEDXEHYDBIZ-FQEVSTJZSA-N 1 3 355.526 2.865 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCc4ccc(F)cc42)C3)CC[N@@H+]1C ZINC001072752433 1020300358 /nfs/dbraw/zinc/30/03/58/1020300358.db2.gz KHEKINDDNZGRGV-XFQXTVEOSA-N 1 3 371.500 2.688 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@@H]2CCc4ccc(F)cc42)C3)CC[N@H+]1C ZINC001072752433 1020300364 /nfs/dbraw/zinc/30/03/64/1020300364.db2.gz KHEKINDDNZGRGV-XFQXTVEOSA-N 1 3 371.500 2.688 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)c1 ZINC000900286644 1020331487 /nfs/dbraw/zinc/33/14/87/1020331487.db2.gz NFNFASRXHZICQN-CTNGQTDRSA-N 1 3 371.525 2.793 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)c1 ZINC000900286644 1020331495 /nfs/dbraw/zinc/33/14/95/1020331495.db2.gz NFNFASRXHZICQN-CTNGQTDRSA-N 1 3 371.525 2.793 20 0 FFADHO COCCC[NH+]1CCC(NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900517708 1020467539 /nfs/dbraw/zinc/46/75/39/1020467539.db2.gz JVLDLLNWNGRBIZ-UHFFFAOYSA-N 1 3 358.486 2.522 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001046330584 1020594698 /nfs/dbraw/zinc/59/46/98/1020594698.db2.gz NMXJJUFPISUIOX-CZTZKLFOSA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001046330584 1020594703 /nfs/dbraw/zinc/59/47/03/1020594703.db2.gz NMXJJUFPISUIOX-CZTZKLFOSA-N 1 3 368.525 2.979 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001111023377 1020703021 /nfs/dbraw/zinc/70/30/21/1020703021.db2.gz HERZVPYQXUXMGF-NJYVYQBISA-N 1 3 373.541 2.551 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903164169 1020712609 /nfs/dbraw/zinc/71/26/09/1020712609.db2.gz FYFYYMCBYUFIEH-SWSHNKPGSA-N 1 3 367.537 2.968 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903164169 1020712618 /nfs/dbraw/zinc/71/26/18/1020712618.db2.gz FYFYYMCBYUFIEH-SWSHNKPGSA-N 1 3 367.537 2.968 20 0 FFADHO CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029825 1021632611 /nfs/dbraw/zinc/63/26/11/1021632611.db2.gz NZNCMUZVIGEZKN-DBVUQKKJSA-N 1 3 353.526 2.970 20 0 FFADHO CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029825 1021632618 /nfs/dbraw/zinc/63/26/18/1021632618.db2.gz NZNCMUZVIGEZKN-DBVUQKKJSA-N 1 3 353.526 2.970 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099160704 1021967291 /nfs/dbraw/zinc/96/72/91/1021967291.db2.gz UFKNEKNLRZHAJH-MMOPVJDHSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099160704 1021967301 /nfs/dbraw/zinc/96/73/01/1021967301.db2.gz UFKNEKNLRZHAJH-MMOPVJDHSA-N 1 3 359.489 2.557 20 0 FFADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520070 1033026916 /nfs/dbraw/zinc/02/69/16/1033026916.db2.gz AMPQUNOSAYTZKZ-SBUREZEXSA-N 1 3 369.553 2.574 20 0 FFADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222520070 1033026928 /nfs/dbraw/zinc/02/69/28/1033026928.db2.gz AMPQUNOSAYTZKZ-SBUREZEXSA-N 1 3 369.553 2.574 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001099223035 1022118766 /nfs/dbraw/zinc/11/87/66/1022118766.db2.gz CITZYUVRYMAWQR-OAGGEKHMSA-N 1 3 359.436 2.560 20 0 FFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001118264145 1022147752 /nfs/dbraw/zinc/14/77/52/1022147752.db2.gz ULPKTMWECXFLIX-HNNXBMFYSA-N 1 3 365.468 2.950 20 0 FFADHO Cc1ncccc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001099447109 1022539546 /nfs/dbraw/zinc/53/95/46/1022539546.db2.gz WFUYLVBVSFNCII-FPOVZHCZSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1ccncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001099447248 1022541366 /nfs/dbraw/zinc/54/13/66/1022541366.db2.gz AKQUQLDOTRRINS-FPOVZHCZSA-N 1 3 370.541 2.593 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001099453479 1022554569 /nfs/dbraw/zinc/55/45/69/1022554569.db2.gz MTRUYBFQFQKZIO-DSKINZAPSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001099491228 1022619085 /nfs/dbraw/zinc/61/90/85/1022619085.db2.gz AQYLLDLZNFAUHV-VWPQPMDRSA-N 1 3 357.542 2.991 20 0 FFADHO Cc1cc(C)cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)c1 ZINC001099505896 1022645799 /nfs/dbraw/zinc/64/57/99/1022645799.db2.gz IHCCGBRBJMXWRO-UGKGYDQZSA-N 1 3 366.509 2.988 20 0 FFADHO C[N@@H+]1C[C@@]2(C)CN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@]2(C)C1 ZINC001119900855 1023152891 /nfs/dbraw/zinc/15/28/91/1023152891.db2.gz MGQWOQJPYBQRQD-AHRSYUTCSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@H+]1C[C@@]2(C)CN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@]2(C)C1 ZINC001119900855 1023152893 /nfs/dbraw/zinc/15/28/93/1023152893.db2.gz MGQWOQJPYBQRQD-AHRSYUTCSA-N 1 3 351.535 2.907 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3C(=O)OC[C@@H]3Cc3ccccc3)C[C@H]2C1 ZINC001120358440 1023313084 /nfs/dbraw/zinc/31/30/84/1023313084.db2.gz AIQHDPOZZCSTJB-NMLBUPMWSA-N 1 3 357.498 2.670 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](c4cccc(F)c4)CC3=O)C[C@H]2C1 ZINC001120359555 1023314950 /nfs/dbraw/zinc/31/49/50/1023314950.db2.gz MEKLXCHHGPWCHN-FTEYMNFISA-N 1 3 359.489 2.761 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](CC[NH3+])C2)c2cccs2)CC1 ZINC001120476695 1023335570 /nfs/dbraw/zinc/33/55/70/1023335570.db2.gz WIYGWCHVKQUBHD-SJORKVTESA-N 1 3 364.559 2.901 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297666 1023651273 /nfs/dbraw/zinc/65/12/73/1023651273.db2.gz OFBJACNEPINGHF-QRVBRYPASA-N 1 3 353.551 2.503 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3c4ccncc4C[C@H]3C)CC2)CC1 ZINC001123845577 1024084446 /nfs/dbraw/zinc/08/44/46/1024084446.db2.gz VEYJYQKQHRLTMP-MRXNPFEDSA-N 1 3 356.514 2.556 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001121970699 1024218053 /nfs/dbraw/zinc/21/80/53/1024218053.db2.gz BVNXRDNDUHOHEV-INIZCTEOSA-N 1 3 352.482 2.538 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101257982 1024226037 /nfs/dbraw/zinc/22/60/37/1024226037.db2.gz WJLPDYUPUOFXLT-HBFSDRIKSA-N 1 3 353.526 2.781 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101257982 1024226050 /nfs/dbraw/zinc/22/60/50/1024226050.db2.gz WJLPDYUPUOFXLT-HBFSDRIKSA-N 1 3 353.526 2.781 20 0 FFADHO COc1ccc(-c2cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n(C)n2)cc1 ZINC001218544351 1033212028 /nfs/dbraw/zinc/21/20/28/1033212028.db2.gz ONVAPCMDJLMFCW-KRWDZBQOSA-N 1 3 373.501 2.530 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@]2(C)C1 ZINC001101400178 1024637664 /nfs/dbraw/zinc/63/76/64/1024637664.db2.gz JZRSHLBZTQEIDO-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@]2(C)C1 ZINC001101400178 1024637666 /nfs/dbraw/zinc/63/76/66/1024637666.db2.gz JZRSHLBZTQEIDO-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)cc1 ZINC001101400089 1024637764 /nfs/dbraw/zinc/63/77/64/1024637764.db2.gz GAWMJSROTYBWCV-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)cc1 ZINC001101400089 1024637767 /nfs/dbraw/zinc/63/77/67/1024637767.db2.gz GAWMJSROTYBWCV-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@@]12CN(CCC(F)(F)F)C[C@@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001101474108 1024841027 /nfs/dbraw/zinc/84/10/27/1024841027.db2.gz HSPOGIVTMVHVCG-WBVHZDCISA-N 1 3 361.452 2.595 20 0 FFADHO CCCn1nccc1CNCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717928316 1025172192 /nfs/dbraw/zinc/17/21/92/1025172192.db2.gz UUCXNBLLANOXJB-UHFFFAOYSA-N 1 3 356.514 2.800 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001102044893 1025347626 /nfs/dbraw/zinc/34/76/26/1025347626.db2.gz JXPUSSTZFKFYRJ-BRWVUGGUSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C ZINC001102044893 1025347628 /nfs/dbraw/zinc/34/76/28/1025347628.db2.gz JXPUSSTZFKFYRJ-BRWVUGGUSA-N 1 3 364.559 2.590 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cncc(OCc2ccccc2)c1 ZINC001218692971 1033283831 /nfs/dbraw/zinc/28/38/31/1033283831.db2.gz ZXLHDGYNPAECPD-IBGZPJMESA-N 1 3 356.470 2.658 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001102184874 1025548346 /nfs/dbraw/zinc/54/83/46/1025548346.db2.gz WTQAWIHSYNYPRY-GJWDQICYSA-N 1 3 355.954 2.935 20 0 FFADHO C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102216224 1025599405 /nfs/dbraw/zinc/59/94/05/1025599405.db2.gz HIDYTJLZTWBJOJ-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102216224 1025599410 /nfs/dbraw/zinc/59/94/10/1025599410.db2.gz HIDYTJLZTWBJOJ-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292236 1025704480 /nfs/dbraw/zinc/70/44/80/1025704480.db2.gz FERMMNOYUXWHJD-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320832 1025741463 /nfs/dbraw/zinc/74/14/63/1025741463.db2.gz VKDAUYCNQPSZGN-GDBMZVCRSA-N 1 3 371.447 2.841 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c(C)c1 ZINC001102368462 1025827257 /nfs/dbraw/zinc/82/72/57/1025827257.db2.gz VEWZDPIQMZBGOB-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)c(C)c1 ZINC001102368462 1025827277 /nfs/dbraw/zinc/82/72/77/1025827277.db2.gz VEWZDPIQMZBGOB-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO CN1CCN(c2cc[nH+]cc2N[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 ZINC000638811536 1026030338 /nfs/dbraw/zinc/03/03/38/1026030338.db2.gz VRKZBDCJZPUCOE-GOSISDBHSA-N 1 3 355.490 2.685 20 0 FFADHO CN1CCN(c2cc[nH+]cc2N[C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000638811536 1026030356 /nfs/dbraw/zinc/03/03/56/1026030356.db2.gz VRKZBDCJZPUCOE-GOSISDBHSA-N 1 3 355.490 2.685 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1C ZINC001102475192 1026050473 /nfs/dbraw/zinc/05/04/73/1026050473.db2.gz CGDRNZKMYPBOLV-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1C ZINC001102475192 1026050485 /nfs/dbraw/zinc/05/04/85/1026050485.db2.gz CGDRNZKMYPBOLV-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC001102475663 1026055788 /nfs/dbraw/zinc/05/57/88/1026055788.db2.gz YRFZOIYUNYVADL-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC001102475663 1026055805 /nfs/dbraw/zinc/05/58/05/1026055805.db2.gz YRFZOIYUNYVADL-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@H]1C ZINC001102532060 1026245221 /nfs/dbraw/zinc/24/52/21/1026245221.db2.gz SDDZAZAHCUKFCY-WIBUTAKZSA-N 1 3 352.482 2.632 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@H]1C ZINC001102532060 1026245234 /nfs/dbraw/zinc/24/52/34/1026245234.db2.gz SDDZAZAHCUKFCY-WIBUTAKZSA-N 1 3 352.482 2.632 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]c4cccc(F)c34)CC2)CC1 ZINC000090498796 1026267267 /nfs/dbraw/zinc/26/72/67/1026267267.db2.gz QUWWUYSECJUQFT-UHFFFAOYSA-N 1 3 358.461 2.595 20 0 FFADHO CCCn1nccc1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000639589057 1026385475 /nfs/dbraw/zinc/38/54/75/1026385475.db2.gz JCPHOIQOTHMQSP-IEBWSBKVSA-N 1 3 369.513 2.732 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758162 1026459503 /nfs/dbraw/zinc/45/95/03/1026459503.db2.gz PMXBHZVOYQSGSR-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000839543832 1026726514 /nfs/dbraw/zinc/72/65/14/1026726514.db2.gz HSRHWVIKGACBKJ-QFIPXVFZSA-N 1 3 373.541 2.733 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103084072 1026945307 /nfs/dbraw/zinc/94/53/07/1026945307.db2.gz WYXYLZIZIRNYGD-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103084072 1026945317 /nfs/dbraw/zinc/94/53/17/1026945317.db2.gz WYXYLZIZIRNYGD-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1C ZINC001103156825 1027012156 /nfs/dbraw/zinc/01/21/56/1027012156.db2.gz YGZKMWNQDRVLSM-RHSMWYFYSA-N 1 3 364.534 2.596 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1C ZINC001103156825 1027012163 /nfs/dbraw/zinc/01/21/63/1027012163.db2.gz YGZKMWNQDRVLSM-RHSMWYFYSA-N 1 3 364.534 2.596 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000641308850 1027208147 /nfs/dbraw/zinc/20/81/47/1027208147.db2.gz MBEYJRDYUDOZGU-HXUWFJFHSA-N 1 3 358.530 2.730 20 0 FFADHO Clc1cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c2c(n1)CNCC2 ZINC001159031253 1027239056 /nfs/dbraw/zinc/23/90/56/1027239056.db2.gz JEBXKZXKPBHBDD-UHFFFAOYSA-N 1 3 354.885 2.980 20 0 FFADHO O=c1[nH]c2ccc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)cc2[nH]1 ZINC000641715980 1027277081 /nfs/dbraw/zinc/27/70/81/1027277081.db2.gz TUCYQACOVPAQFM-GOSISDBHSA-N 1 3 350.466 2.923 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C)N(C)C ZINC001103407762 1027417858 /nfs/dbraw/zinc/41/78/58/1027417858.db2.gz SCNRYXDTPFYUNH-HMXCVIKNSA-N 1 3 359.558 2.890 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C)N(C)C ZINC001103407762 1027417863 /nfs/dbraw/zinc/41/78/63/1027417863.db2.gz SCNRYXDTPFYUNH-HMXCVIKNSA-N 1 3 359.558 2.890 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C)N(C)C ZINC001103407389 1027418035 /nfs/dbraw/zinc/41/80/35/1027418035.db2.gz ALDKMTQKSXFGKA-MBOZVWFJSA-N 1 3 363.521 2.986 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C)N(C)C ZINC001103407389 1027418043 /nfs/dbraw/zinc/41/80/43/1027418043.db2.gz ALDKMTQKSXFGKA-MBOZVWFJSA-N 1 3 363.521 2.986 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001103434197 1027474436 /nfs/dbraw/zinc/47/44/36/1027474436.db2.gz UAEZUOSGCYRBBT-BFYDXBDKSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001103434197 1027474445 /nfs/dbraw/zinc/47/44/45/1027474445.db2.gz UAEZUOSGCYRBBT-BFYDXBDKSA-N 1 3 357.489 2.590 20 0 FFADHO CCN(CC)Cc1nc2sc(C)c(C)c2c(N[C@@]([NH3+])(CC)CO)n1 ZINC001159748778 1027488470 /nfs/dbraw/zinc/48/84/70/1027488470.db2.gz SQTCUAJAWDMOPV-KRWDZBQOSA-N 1 3 351.520 2.619 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439671 1027489345 /nfs/dbraw/zinc/48/93/45/1027489345.db2.gz OANXOHGFGZCOMB-RTBURBONSA-N 1 3 369.594 2.854 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439671 1027489350 /nfs/dbraw/zinc/48/93/50/1027489350.db2.gz OANXOHGFGZCOMB-RTBURBONSA-N 1 3 369.594 2.854 20 0 FFADHO CN1CCC=C(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)C1 ZINC001159962863 1027546661 /nfs/dbraw/zinc/54/66/61/1027546661.db2.gz XJGGFFWEYQMYPC-UHFFFAOYSA-N 1 3 354.420 2.742 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@H]1C ZINC001103550366 1027666300 /nfs/dbraw/zinc/66/63/00/1027666300.db2.gz MKEUTCPANJFTSX-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)C[C@H]1C ZINC001103550366 1027666306 /nfs/dbraw/zinc/66/63/06/1027666306.db2.gz MKEUTCPANJFTSX-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001103550307 1027666396 /nfs/dbraw/zinc/66/63/96/1027666396.db2.gz JMFKWHXHIDFPHW-IAGOWNOFSA-N 1 3 351.560 2.707 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001103550307 1027666397 /nfs/dbraw/zinc/66/63/97/1027666397.db2.gz JMFKWHXHIDFPHW-IAGOWNOFSA-N 1 3 351.560 2.707 20 0 FFADHO O=C([C@@H]1C[C@@H](c2ccccc2)CCN1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460943 1027717053 /nfs/dbraw/zinc/71/70/53/1027717053.db2.gz HQBDTCRQWUBAQG-HBMCJLEFSA-N 1 3 355.526 2.999 20 0 FFADHO CC(=O)OC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093453985 1027728825 /nfs/dbraw/zinc/72/88/25/1027728825.db2.gz MLVKKTJQSBWMPJ-UHFFFAOYSA-N 1 3 359.514 2.745 20 0 FFADHO Cc1cccc2c1C1(C[C@H]2CC(=O)N2CC(C)(N(C)C)C2)CC[NH2+]CC1 ZINC001160644532 1027783851 /nfs/dbraw/zinc/78/38/51/1027783851.db2.gz GBIIRJBLIVJYDK-QGZVFWFLSA-N 1 3 355.526 2.656 20 0 FFADHO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160936448 1027930202 /nfs/dbraw/zinc/93/02/02/1027930202.db2.gz XBIDFOCJCGDXDJ-HGYDTUITSA-N 1 3 373.500 2.589 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000249065270 1027944251 /nfs/dbraw/zinc/94/42/51/1027944251.db2.gz ZGUHWTZWTBGKMC-XMTFNYHQSA-N 1 3 369.550 2.863 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC001160956751 1027947654 /nfs/dbraw/zinc/94/76/54/1027947654.db2.gz OEBOEWJVGMXBGK-AZUAARDMSA-N 1 3 373.541 2.754 20 0 FFADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)Cc3ccc(OC(C)(C)C)cc3)C[C@H]2C1 ZINC001161174905 1028051427 /nfs/dbraw/zinc/05/14/27/1028051427.db2.gz GGRALYCZEZIJNB-GGPKGHCWSA-N 1 3 373.541 2.534 20 0 FFADHO Cc1c(C)c(C)c(CC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001161446579 1028180381 /nfs/dbraw/zinc/18/03/81/1028180381.db2.gz SNIUNTOIBUESCI-HXUWFJFHSA-N 1 3 359.558 2.913 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1Cc2nc(-c3ccccc3)sc2C1 ZINC001161572795 1028236206 /nfs/dbraw/zinc/23/62/06/1028236206.db2.gz YJBTYQPEJCSRHT-HNNXBMFYSA-N 1 3 358.511 2.712 20 0 FFADHO Fc1ccccc1[C@@H](CC1CC[NH2+]CC1)Nc1ncc2c(n1)CCNC2 ZINC001162234766 1028476262 /nfs/dbraw/zinc/47/62/62/1028476262.db2.gz ZUCDMFQXZZYEJG-LJQANCHMSA-N 1 3 355.461 2.804 20 0 FFADHO CC(C)OCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001104195930 1028654644 /nfs/dbraw/zinc/65/46/44/1028654644.db2.gz BQOWCZVTWUFDNK-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3(C[NH+](C)C)CC3)C2)cs1 ZINC001111855941 1029626259 /nfs/dbraw/zinc/62/62/59/1029626259.db2.gz SPDAXCFYSQKEQE-PXNSSMCTSA-N 1 3 361.555 2.869 20 0 FFADHO Cc1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)nc(-c2ccsc2)n1 ZINC001157841343 1029673935 /nfs/dbraw/zinc/67/39/35/1029673935.db2.gz CPRIKHUSBNSDNC-UHFFFAOYSA-N 1 3 371.554 2.977 20 0 FFADHO COc1ccc2cnc(N3CCN(CC4CC[NH+](C)CC4)CC3)cc2c1 ZINC001157841323 1029674318 /nfs/dbraw/zinc/67/43/18/1029674318.db2.gz BTRQPLRPVWHCGT-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO COc1cc(CNc2cccc(N3CCC([NH3+])CC3)n2)cc(OC)c1OC ZINC001157862387 1029676597 /nfs/dbraw/zinc/67/65/97/1029676597.db2.gz PUEYOQVGDWILAX-UHFFFAOYSA-N 1 3 372.469 2.647 20 0 FFADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158028738 1029711514 /nfs/dbraw/zinc/71/15/14/1029711514.db2.gz VMQRCCCQRUCNMZ-UNMCSNQZSA-N 1 3 373.541 2.693 20 0 FFADHO Fc1ccc(O[C@H]2CC[NH2+]C2)c(NC2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001165213472 1029901628 /nfs/dbraw/zinc/90/16/28/1029901628.db2.gz DQJICNWFWURHOK-ROUUACIJSA-N 1 3 361.461 2.747 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001112120178 1030045741 /nfs/dbraw/zinc/04/57/41/1030045741.db2.gz HJBQHJMAWKSXMC-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO CN(C(=O)Nc1cccc(OCC[NH3+])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000841285207 1030157515 /nfs/dbraw/zinc/15/75/15/1030157515.db2.gz PQBYVIVURHACHU-IBGZPJMESA-N 1 3 368.481 2.762 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000841709467 1030420574 /nfs/dbraw/zinc/42/05/74/1030420574.db2.gz GWCHTRSFPMMPEC-NRFANRHFSA-N 1 3 366.509 2.652 20 0 FFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001166626927 1030460869 /nfs/dbraw/zinc/46/08/69/1030460869.db2.gz MCSOSOPIGNMTSF-IEZWGBDMSA-N 1 3 365.468 2.616 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000841901984 1030530901 /nfs/dbraw/zinc/53/09/01/1030530901.db2.gz OINIYCMLPOAFKY-CRAIPNDOSA-N 1 3 358.486 2.709 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOC2CCC2)C1 ZINC001112437033 1030808401 /nfs/dbraw/zinc/80/84/01/1030808401.db2.gz UEXPMTMOILKPDF-UWJYYQICSA-N 1 3 365.562 2.504 20 0 FFADHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3ccnc4[nH]ccc43)CC2)C1 ZINC001142871817 1030977361 /nfs/dbraw/zinc/97/73/61/1030977361.db2.gz VZKQYZUWASWCTG-QGZVFWFLSA-N 1 3 370.497 2.802 20 0 FFADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccccn1)CC2 ZINC001204058380 1031068480 /nfs/dbraw/zinc/06/84/80/1031068480.db2.gz NEGPLDRSBRCBAN-NRFANRHFSA-N 1 3 373.541 2.811 20 0 FFADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccccn1)CC2 ZINC001204058380 1031068499 /nfs/dbraw/zinc/06/84/99/1031068499.db2.gz NEGPLDRSBRCBAN-NRFANRHFSA-N 1 3 373.541 2.811 20 0 FFADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC001204075040 1031080386 /nfs/dbraw/zinc/08/03/86/1031080386.db2.gz WHHFUDXVOJHXLQ-OAQYLSRUSA-N 1 3 373.541 2.811 20 0 FFADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC001204075040 1031080408 /nfs/dbraw/zinc/08/04/08/1031080408.db2.gz WHHFUDXVOJHXLQ-OAQYLSRUSA-N 1 3 373.541 2.811 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC3(CCCNC3=O)CC2)cc1 ZINC001204268433 1031196207 /nfs/dbraw/zinc/19/62/07/1031196207.db2.gz LBURTJWUDZVONX-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO CCOCCN(CCOCC)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270461 1031196790 /nfs/dbraw/zinc/19/67/90/1031196790.db2.gz UQLVDQRJZKUKSJ-UHFFFAOYSA-N 1 3 352.519 2.892 20 0 FFADHO CCOc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1OC ZINC001204362327 1031253668 /nfs/dbraw/zinc/25/36/68/1031253668.db2.gz SJABBPLISDPUGN-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843386582 1031367805 /nfs/dbraw/zinc/36/78/05/1031367805.db2.gz KBMFXRHYLSPQPS-QRVBRYPASA-N 1 3 370.541 2.935 20 0 FFADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC001205240372 1031620791 /nfs/dbraw/zinc/62/07/91/1031620791.db2.gz JKVBWHXHAOBGCT-QGZVFWFLSA-N 1 3 364.287 2.673 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC2CC2)C1 ZINC001205318409 1031666150 /nfs/dbraw/zinc/66/61/50/1031666150.db2.gz CDTYOHDLBMEPAB-VQTJNVASSA-N 1 3 361.505 2.852 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001205445634 1031752010 /nfs/dbraw/zinc/75/20/10/1031752010.db2.gz JEHJDEOIELPGOZ-AYOQOUSVSA-N 1 3 367.484 2.800 20 0 FFADHO C[C@H]1CCN(Cc2cn3ccc(Br)cc3n2)CC[C@@H]1C[NH3+] ZINC001205625678 1031883775 /nfs/dbraw/zinc/88/37/75/1031883775.db2.gz CKTHUKGZNDVONO-QWHCGFSZSA-N 1 3 351.292 2.904 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCC2CC2)C1 ZINC001205663652 1031914488 /nfs/dbraw/zinc/91/44/88/1031914488.db2.gz FODSNGDVECWAIO-AZUAARDMSA-N 1 3 361.505 2.852 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001205678644 1031929442 /nfs/dbraw/zinc/92/94/42/1031929442.db2.gz NJWJHOJCYGFEFA-HHXXYDBFSA-N 1 3 367.484 2.800 20 0 FFADHO COc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(Br)c1 ZINC001218834807 1033364954 /nfs/dbraw/zinc/36/49/54/1033364954.db2.gz LUAXOOKTDKZKPG-AWEZNQCLSA-N 1 3 372.307 2.892 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067285 1033503899 /nfs/dbraw/zinc/50/38/99/1033503899.db2.gz OXLYLPJOZJUZPY-FPMVPNIMSA-N 1 3 363.546 2.520 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3sc(C)nc3C)[C@H]2C1 ZINC001223837938 1033609220 /nfs/dbraw/zinc/60/92/20/1033609220.db2.gz CXLINCYQVWGFEK-SJORKVTESA-N 1 3 364.559 2.525 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3sc(C)nc3C)[C@H]2C1 ZINC001223837938 1033609223 /nfs/dbraw/zinc/60/92/23/1033609223.db2.gz CXLINCYQVWGFEK-SJORKVTESA-N 1 3 364.559 2.525 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cc(C)ccc3F)[C@H]2C1 ZINC001223846486 1033612146 /nfs/dbraw/zinc/61/21/46/1033612146.db2.gz LSXQCBPJMPQKJI-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cc(C)ccc3F)[C@H]2C1 ZINC001223846486 1033612156 /nfs/dbraw/zinc/61/21/56/1033612156.db2.gz LSXQCBPJMPQKJI-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cnccc3C)[C@H]2C1 ZINC001223962205 1033663269 /nfs/dbraw/zinc/66/32/69/1033663269.db2.gz LUMLUDVRLXVBSF-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cnccc3C)[C@H]2C1 ZINC001223962205 1033663279 /nfs/dbraw/zinc/66/32/79/1033663279.db2.gz LUMLUDVRLXVBSF-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO C[N@H+](CCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O)C1CCCCC1 ZINC001220074199 1033971952 /nfs/dbraw/zinc/97/19/52/1033971952.db2.gz ZFQSNMSAQUEZHI-MOPGFXCFSA-N 1 3 367.578 2.629 20 0 FFADHO C[N@@H+](CCC(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O)C1CCCCC1 ZINC001220074199 1033971955 /nfs/dbraw/zinc/97/19/55/1033971955.db2.gz ZFQSNMSAQUEZHI-MOPGFXCFSA-N 1 3 367.578 2.629 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001220162101 1034015860 /nfs/dbraw/zinc/01/58/60/1034015860.db2.gz HKPFJUWRMIMMMF-LQBOVUBWSA-N 1 3 373.541 2.772 20 0 FFADHO CC(C)(CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)N1CCc2ccccc2C1 ZINC001225060304 1034108764 /nfs/dbraw/zinc/10/87/64/1034108764.db2.gz UCQFXISDTWRUTB-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)(CNC(=O)NCC[N@H+]1CCC(C)(C)C1)N1CCc2ccccc2C1 ZINC001225060304 1034108779 /nfs/dbraw/zinc/10/87/79/1034108779.db2.gz UCQFXISDTWRUTB-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC001220621557 1034295941 /nfs/dbraw/zinc/29/59/41/1034295941.db2.gz HSKJLAUPVPTWRZ-UXHICEINSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC001220621557 1034295947 /nfs/dbraw/zinc/29/59/47/1034295947.db2.gz HSKJLAUPVPTWRZ-UXHICEINSA-N 1 3 358.530 2.559 20 0 FFADHO Cc1ccc(C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c2ccccc2)cc1 ZINC001220763568 1034386126 /nfs/dbraw/zinc/38/61/26/1034386126.db2.gz GRWCSZWDLPZYGE-FUPPJEDESA-N 1 3 363.505 2.594 20 0 FFADHO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)CN2)CC1 ZINC001220982386 1034490313 /nfs/dbraw/zinc/49/03/13/1034490313.db2.gz DBFWYUIGNGDCHW-ZFWWWQNUSA-N 1 3 373.394 2.533 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)Cc1ccccc1 ZINC001221077071 1034537493 /nfs/dbraw/zinc/53/74/93/1034537493.db2.gz NFQWDEQTOMKTPU-SNCIUUNGSA-N 1 3 372.557 2.866 20 0 FFADHO O=C(C[C@@H]1CCNC[C@H]1F)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205521 1034600945 /nfs/dbraw/zinc/60/09/45/1034600945.db2.gz XUTKHNCXESIVON-KFKAGJAMSA-N 1 3 365.468 2.710 20 0 FFADHO CCCC(C[NH3+])(CCC)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC001221374574 1034697607 /nfs/dbraw/zinc/69/76/07/1034697607.db2.gz APBOQYPLEXULEE-UHFFFAOYSA-N 1 3 360.546 2.856 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001221408730 1034718639 /nfs/dbraw/zinc/71/86/39/1034718639.db2.gz QTUKBAUBIHOWJU-XKQJLSEDSA-N 1 3 371.447 2.810 20 0 FFADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001221408730 1034718648 /nfs/dbraw/zinc/71/86/48/1034718648.db2.gz QTUKBAUBIHOWJU-XKQJLSEDSA-N 1 3 371.447 2.810 20 0 FFADHO CCCCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221615932 1034920473 /nfs/dbraw/zinc/92/04/73/1034920473.db2.gz BGXOMOLDCHGHGL-VAMGGRTRSA-N 1 3 365.562 2.599 20 0 FFADHO CCCCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221615932 1034920483 /nfs/dbraw/zinc/92/04/83/1034920483.db2.gz BGXOMOLDCHGHGL-VAMGGRTRSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001227056223 1034921793 /nfs/dbraw/zinc/92/17/93/1034921793.db2.gz BSOYDNQQOCFICQ-BZUAXINKSA-N 1 3 352.910 2.592 20 0 FFADHO COCCCCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001221662377 1034963191 /nfs/dbraw/zinc/96/31/91/1034963191.db2.gz KDZTUJCYHVMRHX-IEBWSBKVSA-N 1 3 365.562 2.599 20 0 FFADHO COCCCCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001221662377 1034963200 /nfs/dbraw/zinc/96/32/00/1034963200.db2.gz KDZTUJCYHVMRHX-IEBWSBKVSA-N 1 3 365.562 2.599 20 0 FFADHO COCCn1cc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001139780980 1035230635 /nfs/dbraw/zinc/23/06/35/1035230635.db2.gz IGLZMOPBKCXREO-UHFFFAOYSA-N 1 3 356.514 2.874 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccnnc1)CC2 ZINC001139982432 1035296792 /nfs/dbraw/zinc/29/67/92/1035296792.db2.gz NUISFVDHWZPPEO-FQEVSTJZSA-N 1 3 352.482 2.732 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccnnc1)CC2 ZINC001139982432 1035296796 /nfs/dbraw/zinc/29/67/96/1035296796.db2.gz NUISFVDHWZPPEO-FQEVSTJZSA-N 1 3 352.482 2.732 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3noc4ccccc34)CC2)CC1 ZINC000834694284 1035430923 /nfs/dbraw/zinc/43/09/23/1035430923.db2.gz HHJYMERBMNRVQG-UHFFFAOYSA-N 1 3 370.497 2.640 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227901516 1035793711 /nfs/dbraw/zinc/79/37/11/1035793711.db2.gz ZIUPXDLYFAXLNR-QZTJIDSGSA-N 1 3 353.551 2.550 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1Cl ZINC001228377600 1036076398 /nfs/dbraw/zinc/07/63/98/1036076398.db2.gz YZDIBEKUCVUDLR-HZPDHXFCSA-N 1 3 355.885 2.948 20 0 FFADHO Cc1cc(Br)ccc1CN1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001140816524 1036219998 /nfs/dbraw/zinc/21/99/98/1036219998.db2.gz JXSRCODPIWLMSG-ZWKOTPCHSA-N 1 3 366.347 2.968 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(F)c1)N(C)C ZINC001228646645 1036227400 /nfs/dbraw/zinc/22/74/00/1036227400.db2.gz JCILOOFMSMTQRN-KURKYZTESA-N 1 3 365.493 2.692 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@H+](C)C3CC3)cc2)CC1 ZINC000836228791 1036332828 /nfs/dbraw/zinc/33/28/28/1036332828.db2.gz ZNMPMAMOMMTJJL-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000836228791 1036332845 /nfs/dbraw/zinc/33/28/45/1036332845.db2.gz ZNMPMAMOMMTJJL-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OC)cc1 ZINC001229214340 1036555943 /nfs/dbraw/zinc/55/59/43/1036555943.db2.gz PBHXPCUVMCRORR-WOJBJXKFSA-N 1 3 361.530 2.597 20 0 FFADHO CCCCc1nc(CN2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)c[nH]1 ZINC001141070394 1036910793 /nfs/dbraw/zinc/91/07/93/1036910793.db2.gz DERCJMYMESDQSB-ATZDWAIDSA-N 1 3 374.529 2.648 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC001230256968 1037179654 /nfs/dbraw/zinc/17/96/54/1037179654.db2.gz IGPLGQXQXHDLMC-RTBURBONSA-N 1 3 362.493 2.614 20 0 FFADHO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266457 1037185298 /nfs/dbraw/zinc/18/52/98/1037185298.db2.gz IQCGQIAYULBUPY-PWIZWCRZSA-N 1 3 361.530 2.540 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001230464671 1037288080 /nfs/dbraw/zinc/28/80/80/1037288080.db2.gz IVRYNDBTKKOTIN-UXHICEINSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001230464671 1037288103 /nfs/dbraw/zinc/28/81/03/1037288103.db2.gz IVRYNDBTKKOTIN-UXHICEINSA-N 1 3 362.562 2.911 20 0 FFADHO O=c1[nH]cc(Br)cc1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243771 1037430547 /nfs/dbraw/zinc/43/05/47/1037430547.db2.gz YQGNIZFHMACENQ-OAHLLOKOSA-N 1 3 354.292 2.904 20 0 FFADHO CCOC(=O)c1cn2cccc(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)c2n1 ZINC001235242593 1037430806 /nfs/dbraw/zinc/43/08/06/1037430806.db2.gz SHEDITBXKBVONR-SFHVURJKSA-N 1 3 370.497 2.865 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3c(F)ccc(C)c3F)C[C@@H]1CC[NH2+]CC2 ZINC001235348868 1037495879 /nfs/dbraw/zinc/49/58/79/1037495879.db2.gz GZHOPXMJUUSTIA-LIRRHRJNSA-N 1 3 352.425 2.638 20 0 FFADHO Cc1cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)ccc1Br ZINC001235366096 1037506424 /nfs/dbraw/zinc/50/64/24/1037506424.db2.gz CXYZLYZCLKQQJD-BFYDXBDKSA-N 1 3 351.288 2.710 20 0 FFADHO Nc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Br)cn1 ZINC001235423366 1037542549 /nfs/dbraw/zinc/54/25/49/1037542549.db2.gz GEWQBKJSPOXDHK-QWHCGFSZSA-N 1 3 353.308 2.638 20 0 FFADHO Cc1nnn(-c2ccc(F)cc2)c1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429658 1037546410 /nfs/dbraw/zinc/54/64/10/1037546410.db2.gz BYSGUWXBASLQEF-IRXDYDNUSA-N 1 3 357.477 2.926 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001207757651 1037696880 /nfs/dbraw/zinc/69/68/80/1037696880.db2.gz IMCLPPQGVWYHEU-YLJYHZDGSA-N 1 3 359.558 2.958 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001207757651 1037696887 /nfs/dbraw/zinc/69/68/87/1037696887.db2.gz IMCLPPQGVWYHEU-YLJYHZDGSA-N 1 3 359.558 2.958 20 0 FFADHO c1ccc(CN(C[C@@H]2CNCCO2)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001235948564 1037850734 /nfs/dbraw/zinc/85/07/34/1037850734.db2.gz PYPWDJDMCSOIMO-GOTSBHOMSA-N 1 3 365.521 2.752 20 0 FFADHO c1ccc(CN(C[C@@H]2CNCCO2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001235948564 1037850747 /nfs/dbraw/zinc/85/07/47/1037850747.db2.gz PYPWDJDMCSOIMO-GOTSBHOMSA-N 1 3 365.521 2.752 20 0 FFADHO Cc1cc(OCc2ccccc2)ccc1CN(C)CCN1CC[NH2+]CC1 ZINC001236083590 1037927102 /nfs/dbraw/zinc/92/71/02/1037927102.db2.gz VPSMIQJKHHFDJW-UHFFFAOYSA-N 1 3 353.510 2.911 20 0 FFADHO Brc1ccc2c(c1CN1C[C@@H]3CC[NH2+]CC[C@@H]3C1)OCO2 ZINC001236321819 1038044458 /nfs/dbraw/zinc/04/44/58/1038044458.db2.gz MJZPKXOKDAGFCR-TXEJJXNPSA-N 1 3 353.260 2.609 20 0 FFADHO Fc1ccc(Cl)cc1CN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236397806 1038069174 /nfs/dbraw/zinc/06/91/74/1038069174.db2.gz CBQOGJVXDQBZQZ-UHFFFAOYSA-N 1 3 369.912 2.613 20 0 FFADHO Cc1cc(F)ncc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001231982991 1038073952 /nfs/dbraw/zinc/07/39/52/1038073952.db2.gz JAIQBMOSKPEAGA-UHFFFAOYSA-N 1 3 357.477 2.770 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC001255630926 1038088374 /nfs/dbraw/zinc/08/83/74/1038088374.db2.gz SKLOXYIAQNZPDY-FXAWDEMLSA-N 1 3 366.509 2.757 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC001255630926 1038088394 /nfs/dbraw/zinc/08/83/94/1038088394.db2.gz SKLOXYIAQNZPDY-FXAWDEMLSA-N 1 3 366.509 2.757 20 0 FFADHO COc1cccc(O[C@H]2CCCN(Cc3ccc4c(c3)CC[NH2+]C4)C2)n1 ZINC001236534844 1038121675 /nfs/dbraw/zinc/12/16/75/1038121675.db2.gz AUMRFLRFCBLIJQ-IBGZPJMESA-N 1 3 353.466 2.779 20 0 FFADHO CC[NH+]1C[C@@H]2CN(CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001208234416 1038159791 /nfs/dbraw/zinc/15/97/91/1038159791.db2.gz GZMSLBNWSIZQDC-RCCFBDPRSA-N 1 3 351.535 2.907 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCN(C2CCC2)CC1 ZINC001255807911 1038180154 /nfs/dbraw/zinc/18/01/54/1038180154.db2.gz JQGOLVJXZLJSMV-MRXNPFEDSA-N 1 3 350.528 2.703 20 0 FFADHO CCOC(=O)N1CCC([N@H+](C)Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232146401 1038196121 /nfs/dbraw/zinc/19/61/21/1038196121.db2.gz PODYIGQMYHANJO-UHFFFAOYSA-N 1 3 351.466 2.940 20 0 FFADHO CCOC(=O)N1CCC([N@@H+](C)Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232146401 1038196127 /nfs/dbraw/zinc/19/61/27/1038196127.db2.gz PODYIGQMYHANJO-UHFFFAOYSA-N 1 3 351.466 2.940 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001255960458 1038273333 /nfs/dbraw/zinc/27/33/33/1038273333.db2.gz SIZZXOICWGXDRV-ILZDJORESA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001255960458 1038273339 /nfs/dbraw/zinc/27/33/39/1038273339.db2.gz SIZZXOICWGXDRV-ILZDJORESA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001255960458 1038273350 /nfs/dbraw/zinc/27/33/50/1038273350.db2.gz SIZZXOICWGXDRV-ILZDJORESA-N 1 3 361.505 2.836 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc(C4CCC4)cc3)C2)C1=O ZINC001278011130 1038273778 /nfs/dbraw/zinc/27/37/78/1038273778.db2.gz CKUVQONKQZPPDT-JOCHJYFZSA-N 1 3 355.526 2.940 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)C1=O ZINC001278011130 1038273798 /nfs/dbraw/zinc/27/37/98/1038273798.db2.gz CKUVQONKQZPPDT-JOCHJYFZSA-N 1 3 355.526 2.940 20 0 FFADHO COc1cccc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001208435005 1038312741 /nfs/dbraw/zinc/31/27/41/1038312741.db2.gz NQSMFBWIAZRNSP-GPMSIDNRSA-N 1 3 359.514 2.535 20 0 FFADHO Cc1cccc(CO[C@H]2CO[C@@]3(CCN(C4CC[NH+](C5CC5)CC4)C3)C2)n1 ZINC001256078724 1038365909 /nfs/dbraw/zinc/36/59/09/1038365909.db2.gz RHBHNHHOWDQTNX-YADHBBJMSA-N 1 3 371.525 2.767 20 0 FFADHO COC(=O)[C@@H](C)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001208714043 1038497198 /nfs/dbraw/zinc/49/71/98/1038497198.db2.gz RVSOYDRNTROEES-HKUYNNGSSA-N 1 3 360.498 2.551 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2)CCN1Cc1ccccc1 ZINC001256530239 1038546543 /nfs/dbraw/zinc/54/65/43/1038546543.db2.gz AMBZSIKELMBXDK-GIVPXCGWSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)c1nnc2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cn21 ZINC001256680768 1038600251 /nfs/dbraw/zinc/60/02/51/1038600251.db2.gz CFYPSMRJFFFTIM-UHFFFAOYSA-N 1 3 357.502 2.586 20 0 FFADHO Brc1cccnc1CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256688450 1038603786 /nfs/dbraw/zinc/60/37/86/1038603786.db2.gz ZVRQYBDBPRNJFE-UHFFFAOYSA-N 1 3 368.319 2.620 20 0 FFADHO CC(C)OCC[NH+](CCOC(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256695312 1038605297 /nfs/dbraw/zinc/60/52/97/1038605297.db2.gz VIZQJUGOEFNOKS-UHFFFAOYSA-N 1 3 356.551 2.782 20 0 FFADHO c1ccc(CN2C[C@H]3C[NH+](C4CCC(N5CCOCC5)CC4)C[C@@H]3C2)cc1 ZINC001256697449 1038606374 /nfs/dbraw/zinc/60/63/74/1038606374.db2.gz CNYGTHVRWNOSIQ-SIYKVTCMSA-N 1 3 369.553 2.694 20 0 FFADHO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256699332 1038607584 /nfs/dbraw/zinc/60/75/84/1038607584.db2.gz YKDOBEIWHGTMFR-UHFFFAOYSA-N 1 3 369.550 2.865 20 0 FFADHO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256699332 1038607586 /nfs/dbraw/zinc/60/75/86/1038607586.db2.gz YKDOBEIWHGTMFR-UHFFFAOYSA-N 1 3 369.550 2.865 20 0 FFADHO CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208976442 1038614090 /nfs/dbraw/zinc/61/40/90/1038614090.db2.gz RBANWOLRUSSLGO-BHIFYINESA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001208976442 1038614094 /nfs/dbraw/zinc/61/40/94/1038614094.db2.gz RBANWOLRUSSLGO-BHIFYINESA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001208976442 1038614097 /nfs/dbraw/zinc/61/40/97/1038614097.db2.gz RBANWOLRUSSLGO-BHIFYINESA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001208976442 1038614101 /nfs/dbraw/zinc/61/41/01/1038614101.db2.gz RBANWOLRUSSLGO-BHIFYINESA-N 1 3 355.526 2.699 20 0 FFADHO OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256909659 1038652848 /nfs/dbraw/zinc/65/28/48/1038652848.db2.gz USPKEYOYTNVMQW-GIWBLDEGSA-N 1 3 371.569 2.866 20 0 FFADHO CCCCOC(=O)CC[C@H](C)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001257385545 1038778955 /nfs/dbraw/zinc/77/89/55/1038778955.db2.gz JDDUYZCPPVEHLP-GJZGRUSLSA-N 1 3 359.511 2.678 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001279041755 1038960880 /nfs/dbraw/zinc/96/08/80/1038960880.db2.gz NBEBVJPRPAZUGC-UHFFFAOYSA-N 1 3 361.921 2.627 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1)CC(F)(F)F ZINC001276658239 1039065315 /nfs/dbraw/zinc/06/53/15/1039065315.db2.gz ZAJWVYVDDQOKPP-NVXWUHKLSA-N 1 3 363.468 2.841 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1)CC(F)(F)F ZINC001276658239 1039065333 /nfs/dbraw/zinc/06/53/33/1039065333.db2.gz ZAJWVYVDDQOKPP-NVXWUHKLSA-N 1 3 363.468 2.841 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@H](O)COCc1c(Cl)cccc1Cl ZINC001245980371 1039174476 /nfs/dbraw/zinc/17/44/76/1039174476.db2.gz CVFOUJWRMLQKLN-RDBSUJKOSA-N 1 3 361.313 2.706 20 0 FFADHO O[C@H](CNC[C@]12CCC[C@H]1C[NH2+]C2)COCc1c(Cl)cccc1Cl ZINC001245986309 1039177224 /nfs/dbraw/zinc/17/72/24/1039177224.db2.gz OFBBXKUPBDGRDC-PMUMKWKESA-N 1 3 373.324 2.850 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@H](O)COCc2c(Cl)cccc2Cl)C1 ZINC001245992114 1039178338 /nfs/dbraw/zinc/17/83/38/1039178338.db2.gz LCQLWUIEOCJVDF-MJBXVCDLSA-N 1 3 361.313 2.706 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@H](O)COCc2c(Cl)cccc2Cl)C1 ZINC001245992110 1039179256 /nfs/dbraw/zinc/17/92/56/1039179256.db2.gz LCQLWUIEOCJVDF-IHRRRGAJSA-N 1 3 361.313 2.706 20 0 FFADHO Cc1ccc2c(c1)C1(CN2)CC[NH+](C[C@@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC001246023962 1039199352 /nfs/dbraw/zinc/19/93/52/1039199352.db2.gz NNVYPPWGZDEWKR-RBBKRZOGSA-N 1 3 365.521 2.685 20 0 FFADHO COc1ccc(Cl)c2c1C[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246154138 1039260581 /nfs/dbraw/zinc/26/05/81/1039260581.db2.gz UBOHPRDYBXYBKN-XMCHAPAWSA-N 1 3 364.917 2.954 20 0 FFADHO CSCC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258200652 1039265973 /nfs/dbraw/zinc/26/59/73/1039265973.db2.gz VHDNSFCABQLSGF-FUHWJXTLSA-N 1 3 363.571 2.533 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3ccc(OC)cc3)CCNCC2)C1 ZINC001246381419 1039330990 /nfs/dbraw/zinc/33/09/90/1039330990.db2.gz QQLDYPDIRWGVCK-AEFFLSMTSA-N 1 3 360.498 2.985 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246410718 1039344377 /nfs/dbraw/zinc/34/43/77/1039344377.db2.gz KWFMUWZJZCFVIU-RWLNFDPSSA-N 1 3 368.562 2.847 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246595165 1039408967 /nfs/dbraw/zinc/40/89/67/1039408967.db2.gz ROJLECGLAXCJRI-KRWDZBQOSA-N 1 3 361.530 2.729 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246595165 1039408978 /nfs/dbraw/zinc/40/89/78/1039408978.db2.gz ROJLECGLAXCJRI-KRWDZBQOSA-N 1 3 361.530 2.729 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]1CNCCC2 ZINC001246596151 1039409274 /nfs/dbraw/zinc/40/92/74/1039409274.db2.gz PBWNTISFGMTWTK-AESZEHBQSA-N 1 3 362.436 2.972 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]1CNCCC2 ZINC001246596151 1039409278 /nfs/dbraw/zinc/40/92/78/1039409278.db2.gz PBWNTISFGMTWTK-AESZEHBQSA-N 1 3 362.436 2.972 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCc4cccc(F)c4C3)C[C@@H]1CNCCC2 ZINC001246612349 1039415053 /nfs/dbraw/zinc/41/50/53/1039415053.db2.gz VRDFSONTWHBRRH-FVJLSDCUSA-N 1 3 360.473 2.548 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCc4cccc(F)c4C3)C[C@@H]1CNCCC2 ZINC001246612349 1039415057 /nfs/dbraw/zinc/41/50/57/1039415057.db2.gz VRDFSONTWHBRRH-FVJLSDCUSA-N 1 3 360.473 2.548 20 0 FFADHO Brc1ccc2c(c1)C[C@H](N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)CC2 ZINC001246632574 1039421998 /nfs/dbraw/zinc/42/19/98/1039421998.db2.gz XMCFKYDAGOZHFK-ZTFGCOKTSA-N 1 3 365.315 2.617 20 0 FFADHO Clc1cccc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)n1 ZINC001278646006 1039440412 /nfs/dbraw/zinc/44/04/12/1039440412.db2.gz PEJUKOHMNCORHA-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1cccc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)n1 ZINC001278646006 1039440420 /nfs/dbraw/zinc/44/04/20/1039440420.db2.gz PEJUKOHMNCORHA-CALCHBBNSA-N 1 3 359.905 2.776 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+]([C@@H]4CCN[C@H](C)C4)C[C@H]2C3)c1 ZINC001246701283 1039440876 /nfs/dbraw/zinc/44/08/76/1039440876.db2.gz FESWUXSZRONJDC-MYZZLAAOSA-N 1 3 366.509 2.808 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+]([C@@H]4CCN[C@H](C)C4)C[C@H]2C3)c1 ZINC001246701283 1039440878 /nfs/dbraw/zinc/44/08/78/1039440878.db2.gz FESWUXSZRONJDC-MYZZLAAOSA-N 1 3 366.509 2.808 20 0 FFADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CC[NH2+]1 ZINC001246757875 1039468126 /nfs/dbraw/zinc/46/81/26/1039468126.db2.gz YWJVFAMVONXBAK-IWLVTHKOSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246757875 1039468127 /nfs/dbraw/zinc/46/81/27/1039468127.db2.gz YWJVFAMVONXBAK-IWLVTHKOSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246757875 1039468134 /nfs/dbraw/zinc/46/81/34/1039468134.db2.gz YWJVFAMVONXBAK-IWLVTHKOSA-N 1 3 371.525 2.571 20 0 FFADHO O=C1N(CC2CC2)c2ccccc2[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246785848 1039480467 /nfs/dbraw/zinc/48/04/67/1039480467.db2.gz ANBNFTCGJKDKKT-XSHPBHPISA-N 1 3 351.494 2.670 20 0 FFADHO Brc1cccc([C@@H]2CN(C3CCC4(C[NH2+]C4)CC3)CCN2)c1 ZINC001246808295 1039488934 /nfs/dbraw/zinc/48/89/34/1039488934.db2.gz WDQQINNYONDXEL-KRWDZBQOSA-N 1 3 364.331 2.928 20 0 FFADHO Cc1cnc(Cl)c(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1 ZINC001278660781 1039502569 /nfs/dbraw/zinc/50/25/69/1039502569.db2.gz ZPXYLKFAUQHLIO-UHFFFAOYSA-N 1 3 359.905 2.838 20 0 FFADHO CCC[C@H]1C[N@@H+](C2CCN(Cc3c(OC)cccc3OC)CC2)CCN1 ZINC001246902102 1039525300 /nfs/dbraw/zinc/52/53/00/1039525300.db2.gz HRCUSXIIVBMCQJ-KRWDZBQOSA-N 1 3 361.530 2.742 20 0 FFADHO CCC[C@H]1C[N@H+](C2CCN(Cc3c(OC)cccc3OC)CC2)CCN1 ZINC001246902102 1039525318 /nfs/dbraw/zinc/52/53/18/1039525318.db2.gz HRCUSXIIVBMCQJ-KRWDZBQOSA-N 1 3 361.530 2.742 20 0 FFADHO C[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427553 1039541822 /nfs/dbraw/zinc/54/18/22/1039541822.db2.gz WIJFZZBCVFZSKE-RBSFLKMASA-N 1 3 364.361 2.739 20 0 FFADHO COc1cccc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210432912 1039543289 /nfs/dbraw/zinc/54/32/89/1039543289.db2.gz HYKIVUUZIGLVQQ-MBOZVWFJSA-N 1 3 361.530 2.925 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001210499390 1039586036 /nfs/dbraw/zinc/58/60/36/1039586036.db2.gz XXOQDHUHGZIDLC-FUHIMQAGSA-N 1 3 361.530 2.925 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001210499390 1039586053 /nfs/dbraw/zinc/58/60/53/1039586053.db2.gz XXOQDHUHGZIDLC-FUHIMQAGSA-N 1 3 361.530 2.925 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2OC)CC1 ZINC001252890284 1039762512 /nfs/dbraw/zinc/76/25/12/1039762512.db2.gz NHKIRVHCBIPMSS-SFHVURJKSA-N 1 3 350.503 2.631 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2OC)CC1 ZINC001252890284 1039762531 /nfs/dbraw/zinc/76/25/31/1039762531.db2.gz NHKIRVHCBIPMSS-SFHVURJKSA-N 1 3 350.503 2.631 20 0 FFADHO COc1ccc2nc(NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC001252918770 1039791065 /nfs/dbraw/zinc/79/10/65/1039791065.db2.gz INJGOWNIGWHOAJ-HXUWFJFHSA-N 1 3 352.438 2.620 20 0 FFADHO COc1ccc2nc(NC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC001252918770 1039791083 /nfs/dbraw/zinc/79/10/83/1039791083.db2.gz INJGOWNIGWHOAJ-HXUWFJFHSA-N 1 3 352.438 2.620 20 0 FFADHO O[C@@]1(CN[C@@H]2CSc3ccccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951538 1039864173 /nfs/dbraw/zinc/86/41/73/1039864173.db2.gz SHCZDZNWUWEGIL-PZJWPPBQSA-N 1 3 354.519 2.930 20 0 FFADHO O[C@@]1(CN[C@@H]2CSc3ccccc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951538 1039864197 /nfs/dbraw/zinc/86/41/97/1039864197.db2.gz SHCZDZNWUWEGIL-PZJWPPBQSA-N 1 3 354.519 2.930 20 0 FFADHO CC(C)(CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncccc1F ZINC001252953346 1039871732 /nfs/dbraw/zinc/87/17/32/1039871732.db2.gz MGEYPNISTLTFJP-OAQYLSRUSA-N 1 3 357.473 2.725 20 0 FFADHO CC(C)(CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncccc1F ZINC001252953346 1039871759 /nfs/dbraw/zinc/87/17/59/1039871759.db2.gz MGEYPNISTLTFJP-OAQYLSRUSA-N 1 3 357.473 2.725 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001253408357 1040157065 /nfs/dbraw/zinc/15/70/65/1040157065.db2.gz CLVVSGXLVOZAAT-YVSFHVDLSA-N 1 3 369.550 2.646 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001253408357 1040157073 /nfs/dbraw/zinc/15/70/73/1040157073.db2.gz CLVVSGXLVOZAAT-YVSFHVDLSA-N 1 3 369.550 2.646 20 0 FFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253406000 1040157688 /nfs/dbraw/zinc/15/76/88/1040157688.db2.gz WJGRSVGRQJYXPS-ZACQAIPSSA-N 1 3 371.566 2.608 20 0 FFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253406000 1040157695 /nfs/dbraw/zinc/15/76/95/1040157695.db2.gz WJGRSVGRQJYXPS-ZACQAIPSSA-N 1 3 371.566 2.608 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]CCCN2CCCC2)cc1 ZINC001253413494 1040160418 /nfs/dbraw/zinc/16/04/18/1040160418.db2.gz KMHMHIUASYLLQU-IBGZPJMESA-N 1 3 362.514 2.577 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4ncc(C)s4)C[C@H]3CC2)n(C)n1 ZINC001278720451 1040173144 /nfs/dbraw/zinc/17/31/44/1040173144.db2.gz PNCBGKBJERSPJN-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4ncc(C)s4)C[C@H]3CC2)n(C)n1 ZINC001278720451 1040173159 /nfs/dbraw/zinc/17/31/59/1040173159.db2.gz PNCBGKBJERSPJN-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001253426596 1040173319 /nfs/dbraw/zinc/17/33/19/1040173319.db2.gz KPIAZGOPQVRZLN-KNQAVFIVSA-N 1 3 374.525 2.529 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001253426596 1040173330 /nfs/dbraw/zinc/17/33/30/1040173330.db2.gz KPIAZGOPQVRZLN-KNQAVFIVSA-N 1 3 374.525 2.529 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219169 1040344545 /nfs/dbraw/zinc/34/45/45/1040344545.db2.gz DQRYRJJMYDGFAH-SBUVDCAVSA-N 1 3 365.562 2.813 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219169 1040344561 /nfs/dbraw/zinc/34/45/61/1040344561.db2.gz DQRYRJJMYDGFAH-SBUVDCAVSA-N 1 3 365.562 2.813 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2C(C)(C)CC(N)CC2(C)C)CC1=O ZINC001254231388 1040625151 /nfs/dbraw/zinc/62/51/51/1040625151.db2.gz HIKXMJUBBARVGH-AWEZNQCLSA-N 1 3 353.507 2.893 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@H]1OC)C(C)C ZINC001213593186 1040701518 /nfs/dbraw/zinc/70/15/18/1040701518.db2.gz OFYOMEIUDYHWQJ-QRVBRYPASA-N 1 3 369.594 2.995 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931047 1041082844 /nfs/dbraw/zinc/08/28/44/1041082844.db2.gz APXBZORVFRYHSC-ODWICZQRSA-N 1 3 365.562 2.669 20 0 FFADHO CCCN1C[C@H]2C[NH+](C3C[C@@H]4COC[C@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255009425 1041101110 /nfs/dbraw/zinc/10/11/10/1041101110.db2.gz HOOUBEFWZFOJQV-BHCHBHOJSA-N 1 3 369.553 2.692 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc4c3OCO4)(C1)CCC2 ZINC001278842859 1041162925 /nfs/dbraw/zinc/16/29/25/1041162925.db2.gz FBPRZAAYXNYNHW-UXHICEINSA-N 1 3 362.470 2.560 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CCN(C4CCOCC4)CC2)C3)cc1 ZINC001255142668 1041167180 /nfs/dbraw/zinc/16/71/80/1041167180.db2.gz FNRSLFCKMLLNTJ-JKHIJQBDSA-N 1 3 369.553 2.979 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CCN(C4CCOCC4)CC2)C3)cc1 ZINC001255142668 1041167185 /nfs/dbraw/zinc/16/71/85/1041167185.db2.gz FNRSLFCKMLLNTJ-JKHIJQBDSA-N 1 3 369.553 2.979 20 0 FFADHO O=C1CCC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)N1 ZINC001255150564 1041173756 /nfs/dbraw/zinc/17/37/56/1041173756.db2.gz NJMCKDDHJNSBGJ-ACDBMABISA-N 1 3 353.510 2.927 20 0 FFADHO O=C1CCC2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)N1 ZINC001255150564 1041173763 /nfs/dbraw/zinc/17/37/63/1041173763.db2.gz NJMCKDDHJNSBGJ-ACDBMABISA-N 1 3 353.510 2.927 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(F)cc2F)CC1 ZINC001250858855 1041403987 /nfs/dbraw/zinc/40/39/87/1041403987.db2.gz AHQAPXUEBMWRPT-QGZVFWFLSA-N 1 3 356.457 2.901 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(F)cc2F)CC1 ZINC001250858855 1041403992 /nfs/dbraw/zinc/40/39/92/1041403992.db2.gz AHQAPXUEBMWRPT-QGZVFWFLSA-N 1 3 356.457 2.901 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1(C)C ZINC001262040133 1041524278 /nfs/dbraw/zinc/52/42/78/1041524278.db2.gz GIQDINNOYFPWCZ-UTKZUKDTSA-N 1 3 365.562 2.776 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC2CCOCC2)C1 ZINC001214997616 1041639014 /nfs/dbraw/zinc/63/90/14/1041639014.db2.gz KFZIUUNGZQEXFZ-IEBWSBKVSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NCc1ccccn1 ZINC001215224663 1041705423 /nfs/dbraw/zinc/70/54/23/1041705423.db2.gz WAMSXJQFGJGEHS-IEBWSBKVSA-N 1 3 358.530 2.530 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001262603263 1041748521 /nfs/dbraw/zinc/74/85/21/1041748521.db2.gz CNHGDEPSYIZVQX-UHFFFAOYSA-N 1 3 364.921 2.683 20 0 FFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1ccc(Cl)cc1F ZINC001215421331 1041776327 /nfs/dbraw/zinc/77/63/27/1041776327.db2.gz BQZCBWRQFOBAML-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccc(F)cc1F ZINC001215423986 1041777309 /nfs/dbraw/zinc/77/73/09/1041777309.db2.gz ZROFIPUORPIWBG-HBUWYVDXSA-N 1 3 353.457 2.804 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215541382 1041820746 /nfs/dbraw/zinc/82/07/46/1041820746.db2.gz ZXVVZVWGGJAYIL-KVOUSDQISA-N 1 3 353.526 2.992 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCc1ccccc1F ZINC001215568975 1041830225 /nfs/dbraw/zinc/83/02/25/1041830225.db2.gz UCWSPHDEMBLURB-VQIMIIECSA-N 1 3 363.521 2.783 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001215973060 1041920247 /nfs/dbraw/zinc/92/02/47/1041920247.db2.gz OAHCZSQPSWTPMH-CRAIPNDOSA-N 1 3 366.575 2.900 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001216213630 1041979044 /nfs/dbraw/zinc/97/90/44/1041979044.db2.gz PDWRVVRJKDGBLS-HBUWYVDXSA-N 1 3 353.457 2.804 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001216213630 1041979051 /nfs/dbraw/zinc/97/90/51/1041979051.db2.gz PDWRVVRJKDGBLS-HBUWYVDXSA-N 1 3 353.457 2.804 20 0 FFADHO COCC[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)c1ccccc1 ZINC001216851710 1042143165 /nfs/dbraw/zinc/14/31/65/1042143165.db2.gz GPWRHSMWTPRXII-MISYRCLQSA-N 1 3 361.530 2.541 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001216852404 1042144708 /nfs/dbraw/zinc/14/47/08/1042144708.db2.gz YHAZEKNTWHYDKV-RHSMWYFYSA-N 1 3 353.457 2.901 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1Cc1cccnc1C ZINC001264071614 1042613982 /nfs/dbraw/zinc/61/39/82/1042613982.db2.gz JOIUKBHEQGBXAN-VQTJNVASSA-N 1 3 358.530 2.735 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CC[C@@H]2CC2(Cl)Cl)[C@@H]1C ZINC001264169417 1042649843 /nfs/dbraw/zinc/64/98/43/1042649843.db2.gz HKGLPXMEZBVSMN-KFWWJZLASA-N 1 3 364.361 2.881 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC[C@@H]2CC2(Cl)Cl)[C@@H]1C ZINC001264169417 1042649844 /nfs/dbraw/zinc/64/98/44/1042649844.db2.gz HKGLPXMEZBVSMN-KFWWJZLASA-N 1 3 364.361 2.881 20 0 FFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001264551915 1042712277 /nfs/dbraw/zinc/71/22/77/1042712277.db2.gz BWFHMNWJPHTSKO-NQIIRXRSSA-N 1 3 357.542 2.930 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC1CCOCC1)N(C)C ZINC001264564619 1042719271 /nfs/dbraw/zinc/71/92/71/1042719271.db2.gz ZEEYWWNKYHHOAT-HOJAQTOUSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C)N(CC)CC ZINC001264719163 1042800056 /nfs/dbraw/zinc/80/00/56/1042800056.db2.gz OVJMJOHFYIQGKA-NJAFHUGGSA-N 1 3 351.560 2.990 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H]1C)N(CC)CC ZINC001264719163 1042800061 /nfs/dbraw/zinc/80/00/61/1042800061.db2.gz OVJMJOHFYIQGKA-NJAFHUGGSA-N 1 3 351.560 2.990 20 0 FFADHO COc1cc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc(OC)c1 ZINC001279137339 1042914962 /nfs/dbraw/zinc/91/49/62/1042914962.db2.gz JCXRNRWLKVACPW-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO COc1cc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cc(OC)c1 ZINC001279137339 1042914965 /nfs/dbraw/zinc/91/49/65/1042914965.db2.gz JCXRNRWLKVACPW-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO O=C1NC2(CCN(Cc3cccs3)CC2)[C@H]2C[N@@H+](C3CCCC3)C[C@H]12 ZINC001279167049 1042928184 /nfs/dbraw/zinc/92/81/84/1042928184.db2.gz IFBBTIGKZPEADO-ROUUACIJSA-N 1 3 359.539 2.703 20 0 FFADHO O=C1NC2(CCN(Cc3cccs3)CC2)[C@H]2C[N@H+](C3CCCC3)C[C@H]12 ZINC001279167049 1042928188 /nfs/dbraw/zinc/92/81/88/1042928188.db2.gz IFBBTIGKZPEADO-ROUUACIJSA-N 1 3 359.539 2.703 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1Cl ZINC001279253288 1042968434 /nfs/dbraw/zinc/96/84/34/1042968434.db2.gz FSJZULSEFXPQGZ-HDICACEKSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1Cl ZINC001279253288 1042968436 /nfs/dbraw/zinc/96/84/36/1042968436.db2.gz FSJZULSEFXPQGZ-HDICACEKSA-N 1 3 363.933 2.880 20 0 FFADHO COc1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc(F)c1O ZINC001279284843 1042983124 /nfs/dbraw/zinc/98/31/24/1042983124.db2.gz TWTAZHMAFOYPDX-UXHICEINSA-N 1 3 365.493 2.626 20 0 FFADHO C[NH+](C)CCN1CCC2(CN(Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001279332411 1043006699 /nfs/dbraw/zinc/00/66/99/1043006699.db2.gz RMQSSMXUCGRUDU-UHFFFAOYSA-N 1 3 357.420 2.655 20 0 FFADHO COc1ncc(CN2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001279389809 1043045632 /nfs/dbraw/zinc/04/56/32/1043045632.db2.gz ILKZLZRXBOZAQI-IYBDPMFKSA-N 1 3 372.435 2.972 20 0 FFADHO COc1ncc(CN2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001279389809 1043045636 /nfs/dbraw/zinc/04/56/36/1043045636.db2.gz ILKZLZRXBOZAQI-IYBDPMFKSA-N 1 3 372.435 2.972 20 0 FFADHO COc1ncc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1Cl ZINC001279396205 1043052061 /nfs/dbraw/zinc/05/20/61/1043052061.db2.gz QIOKCYBCSHXNFD-MOPGFXCFSA-N 1 3 366.937 2.830 20 0 FFADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cc5ccccc5s4)CC3)[C@@H]2C1 ZINC001279402354 1043060756 /nfs/dbraw/zinc/06/07/56/1043060756.db2.gz BXNLIPQMYLYYCY-IAGOWNOFSA-N 1 3 355.507 2.544 20 0 FFADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cc5ccccc5s4)CC3)[C@@H]2C1 ZINC001279402354 1043060764 /nfs/dbraw/zinc/06/07/64/1043060764.db2.gz BXNLIPQMYLYYCY-IAGOWNOFSA-N 1 3 355.507 2.544 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cccc(-c3cccs3)n2)CCC12C[NH2+]C2 ZINC001237430946 1043156234 /nfs/dbraw/zinc/15/62/34/1043156234.db2.gz MLQDPDRPGBVKSP-MRXNPFEDSA-N 1 3 371.506 2.785 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc3sc(C)nc3c2)CCC12C[NH2+]C2 ZINC001237432532 1043157579 /nfs/dbraw/zinc/15/75/79/1043157579.db2.gz VPVYEIVLBCSLPR-HNNXBMFYSA-N 1 3 359.495 2.579 20 0 FFADHO CN(C)CC1(C[N@@H+]2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)CCCC1 ZINC001279493112 1043179785 /nfs/dbraw/zinc/17/97/85/1043179785.db2.gz WUBHSADYWSYAGX-OAQYLSRUSA-N 1 3 359.562 2.820 20 0 FFADHO CN(C)CC1(C[N@H+]2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)CCCC1 ZINC001279493112 1043179788 /nfs/dbraw/zinc/17/97/88/1043179788.db2.gz WUBHSADYWSYAGX-OAQYLSRUSA-N 1 3 359.562 2.820 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237501269 1043208215 /nfs/dbraw/zinc/20/82/15/1043208215.db2.gz OCSOPPPPEGJORT-ZWKOTPCHSA-N 1 3 374.916 2.804 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237501269 1043208227 /nfs/dbraw/zinc/20/82/27/1043208227.db2.gz OCSOPPPPEGJORT-ZWKOTPCHSA-N 1 3 374.916 2.804 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1c[nH]nc1-c1cccs1)C2 ZINC001279527632 1043227162 /nfs/dbraw/zinc/22/71/62/1043227162.db2.gz URHCFGSZWQXSOQ-FQEVSTJZSA-N 1 3 373.570 2.988 20 0 FFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1c[nH]nc1-c1cccs1)C2 ZINC001279527632 1043227166 /nfs/dbraw/zinc/22/71/66/1043227166.db2.gz URHCFGSZWQXSOQ-FQEVSTJZSA-N 1 3 373.570 2.988 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)c(Cl)c1 ZINC001316596672 1043234941 /nfs/dbraw/zinc/23/49/41/1043234941.db2.gz XYISTXSMWYXZSJ-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3OC)(C1)CCC2 ZINC001279551033 1043245632 /nfs/dbraw/zinc/24/56/32/1043245632.db2.gz AQNAMYHIBAHQGL-UXHICEINSA-N 1 3 366.477 2.979 20 0 FFADHO COc1ccc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1Cl ZINC001279573932 1043280892 /nfs/dbraw/zinc/28/08/92/1043280892.db2.gz KEUZUXIZPSGBKE-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccnn3C(C)C)(C1)CCC2 ZINC001279574645 1043281292 /nfs/dbraw/zinc/28/12/92/1043281292.db2.gz CKXCAGDIMLGCRP-MOPGFXCFSA-N 1 3 350.507 2.609 20 0 FFADHO COc1cccc(CC[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001279615073 1043343714 /nfs/dbraw/zinc/34/37/14/1043343714.db2.gz GXJGYCOSDFSAAL-BGYRXZFFSA-N 1 3 354.498 2.805 20 0 FFADHO COc1cccc(CC[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001279615073 1043343731 /nfs/dbraw/zinc/34/37/31/1043343731.db2.gz GXJGYCOSDFSAAL-BGYRXZFFSA-N 1 3 354.498 2.805 20 0 FFADHO COc1ccccc1CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001279617909 1043348679 /nfs/dbraw/zinc/34/86/79/1043348679.db2.gz MEKKSQKCUGVNBB-UHFFFAOYSA-N 1 3 354.498 2.532 20 0 FFADHO Cc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)C ZINC001279638497 1043381542 /nfs/dbraw/zinc/38/15/42/1043381542.db2.gz GILCNYUHSWUOFV-CALCHBBNSA-N 1 3 366.347 2.968 20 0 FFADHO Cc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)C ZINC001279638497 1043381553 /nfs/dbraw/zinc/38/15/53/1043381553.db2.gz GILCNYUHSWUOFV-CALCHBBNSA-N 1 3 366.347 2.968 20 0 FFADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc(C5CCC5)cc4)CC3)[C@H]2C1 ZINC001279680428 1043456632 /nfs/dbraw/zinc/45/66/32/1043456632.db2.gz ZGEDTCVJKVXISL-PMACEKPBSA-N 1 3 353.510 2.596 20 0 FFADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc(C5CCC5)cc4)CC3)[C@H]2C1 ZINC001279680428 1043456640 /nfs/dbraw/zinc/45/66/40/1043456640.db2.gz ZGEDTCVJKVXISL-PMACEKPBSA-N 1 3 353.510 2.596 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(-c4cc[nH]n4)c3)CC2)CC1 ZINC001238199326 1043604162 /nfs/dbraw/zinc/60/41/62/1043604162.db2.gz HGYKCVKCQVHKJJ-UHFFFAOYSA-N 1 3 353.514 2.536 20 0 FFADHO Cc1cc(C)c(CN2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)c(C)c1 ZINC001279993799 1044056527 /nfs/dbraw/zinc/05/65/27/1044056527.db2.gz QZZXAYBJNDFIEO-FQEVSTJZSA-N 1 3 355.526 2.644 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC001312251856 1044078936 /nfs/dbraw/zinc/07/89/36/1044078936.db2.gz IEGVBBWXBWSGHE-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)CCN(C(=O)NCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001239308350 1044096793 /nfs/dbraw/zinc/09/67/93/1044096793.db2.gz XKPBJRIPELCXST-OAHLLOKOSA-N 1 3 373.328 2.819 20 0 FFADHO CSc1ccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239363580 1044104287 /nfs/dbraw/zinc/10/42/87/1044104287.db2.gz PUCHUBJDQGIWIL-AWEZNQCLSA-N 1 3 350.557 2.569 20 0 FFADHO CC[N@H+](CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C)C1CCCCC1 ZINC001312964069 1044201822 /nfs/dbraw/zinc/20/18/22/1044201822.db2.gz NGJPWSSDSCNDDK-RBUKOAKNSA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@@H+](CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C)C1CCCCC1 ZINC001312964069 1044201830 /nfs/dbraw/zinc/20/18/30/1044201830.db2.gz NGJPWSSDSCNDDK-RBUKOAKNSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)cc1 ZINC001319083449 1045018046 /nfs/dbraw/zinc/01/80/46/1045018046.db2.gz OHDMESJMBQUBKN-GHTZIAJQSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)cc1 ZINC001319083449 1045018060 /nfs/dbraw/zinc/01/80/60/1045018060.db2.gz OHDMESJMBQUBKN-GHTZIAJQSA-N 1 3 370.541 2.695 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2sccc2Cl)C2CC2)CC[N@@H+]1C ZINC001317013446 1045049603 /nfs/dbraw/zinc/04/96/03/1045049603.db2.gz OBKHZNCPDJUSNR-KYOSRNDESA-N 1 3 355.935 2.726 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2sccc2Cl)C2CC2)CC[N@H+]1C ZINC001317013446 1045049613 /nfs/dbraw/zinc/04/96/13/1045049613.db2.gz OBKHZNCPDJUSNR-KYOSRNDESA-N 1 3 355.935 2.726 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC001318044942 1045199814 /nfs/dbraw/zinc/19/98/14/1045199814.db2.gz ZECZJFMVMRVMSR-IBGZPJMESA-N 1 3 374.598 2.847 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC001318044942 1045199821 /nfs/dbraw/zinc/19/98/21/1045199821.db2.gz ZECZJFMVMRVMSR-IBGZPJMESA-N 1 3 374.598 2.847 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001320413182 1045403316 /nfs/dbraw/zinc/40/33/16/1045403316.db2.gz TZYPRBJIRXHDLL-SFTDATJTSA-N 1 3 373.541 2.524 20 0 FFADHO CCCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001320413182 1045403318 /nfs/dbraw/zinc/40/33/18/1045403318.db2.gz TZYPRBJIRXHDLL-SFTDATJTSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cccc(CO)c1 ZINC001323475310 1045605375 /nfs/dbraw/zinc/60/53/75/1045605375.db2.gz DLLPPZWQLPNJGL-GOSISDBHSA-N 1 3 353.510 2.777 20 0 FFADHO CN(CCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)C(=O)[C@@H]1CCCN1C ZINC001322441354 1046086544 /nfs/dbraw/zinc/08/65/44/1046086544.db2.gz BHVHWQLREVAQHM-BZSNNMDCSA-N 1 3 365.468 2.568 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCC=C(Cl)Cl)C2CC2)CC[N@@H+]1C ZINC001283503006 1046391829 /nfs/dbraw/zinc/39/18/29/1046391829.db2.gz OLRGWVMMYNTYCH-RRFJBIMHSA-N 1 3 362.345 2.862 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCC=C(Cl)Cl)C2CC2)CC[N@H+]1C ZINC001283503006 1046391840 /nfs/dbraw/zinc/39/18/40/1046391840.db2.gz OLRGWVMMYNTYCH-RRFJBIMHSA-N 1 3 362.345 2.862 20 0 FFADHO CCOc1cc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)ccc1O ZINC001325502721 1046531518 /nfs/dbraw/zinc/53/15/18/1046531518.db2.gz TWBGHSVXJLSPMT-UHFFFAOYSA-N 1 3 369.509 2.828 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C(C)(C)C)CC[N@@H+]1C ZINC001284589377 1046583583 /nfs/dbraw/zinc/58/35/83/1046583583.db2.gz IZWHLQARPAKYDV-UPJWGTAASA-N 1 3 350.334 2.766 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C(C)(C)C)CC[N@H+]1C ZINC001284589377 1046583598 /nfs/dbraw/zinc/58/35/98/1046583598.db2.gz IZWHLQARPAKYDV-UPJWGTAASA-N 1 3 350.334 2.766 20 0 FFADHO CCC[N@H+](CC)CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001294516214 1049763097 /nfs/dbraw/zinc/76/30/97/1049763097.db2.gz ONRBHTNPJDXNER-DLBZAZTESA-N 1 3 362.566 2.806 20 0 FFADHO CCC[N@@H+](CC)CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001294516214 1049763103 /nfs/dbraw/zinc/76/31/03/1049763103.db2.gz ONRBHTNPJDXNER-DLBZAZTESA-N 1 3 362.566 2.806 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CCC[N@H+](C)C(C)C)C[C@H]1C ZINC001295997382 1050010863 /nfs/dbraw/zinc/01/08/63/1050010863.db2.gz QGDXEUDXFBQZIS-IAGOWNOFSA-N 1 3 362.566 2.805 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CCC[N@@H+](C)C(C)C)C[C@H]1C ZINC001295997382 1050010867 /nfs/dbraw/zinc/01/08/67/1050010867.db2.gz QGDXEUDXFBQZIS-IAGOWNOFSA-N 1 3 362.566 2.805 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001295994082 1050010932 /nfs/dbraw/zinc/01/09/32/1050010932.db2.gz IVDXCQIZFYCXLG-BBWFWOEESA-N 1 3 360.550 2.559 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001295994082 1050010936 /nfs/dbraw/zinc/01/09/36/1050010936.db2.gz IVDXCQIZFYCXLG-BBWFWOEESA-N 1 3 360.550 2.559 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)OCCNC3)c1 ZINC001341672668 1050294256 /nfs/dbraw/zinc/29/42/56/1050294256.db2.gz LCSQCYGWCVAQCL-UHFFFAOYSA-N 1 3 367.493 2.939 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)OCCNC3)c1 ZINC001341672668 1050294261 /nfs/dbraw/zinc/29/42/61/1050294261.db2.gz LCSQCYGWCVAQCL-UHFFFAOYSA-N 1 3 367.493 2.939 20 0 FFADHO C[C@H]1C[C@H](NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001341716569 1050337311 /nfs/dbraw/zinc/33/73/11/1050337311.db2.gz IFJUFJOUGRMFAO-HOCLYGCPSA-N 1 3 369.431 2.698 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1 ZINC001306876932 1052208944 /nfs/dbraw/zinc/20/89/44/1052208944.db2.gz HPEFOUHOWZLRMW-OCCSQVGLSA-N 1 3 363.893 2.770 20 0 FFADHO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001307927613 1052367280 /nfs/dbraw/zinc/36/72/80/1052367280.db2.gz CQMMSEAVAKRRKC-XLIONFOSSA-N 1 3 364.965 2.877 20 0 FFADHO C[C@@H]1[C@@H](N(C)C)CC[N@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001307927613 1052367283 /nfs/dbraw/zinc/36/72/83/1052367283.db2.gz CQMMSEAVAKRRKC-XLIONFOSSA-N 1 3 364.965 2.877 20 0 FFADHO Clc1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)ccc1OCCn1ccnc1 ZINC001308328792 1052447240 /nfs/dbraw/zinc/44/72/40/1052447240.db2.gz GCFHCRVTKUCLME-MRXNPFEDSA-N 1 3 371.872 2.986 20 0 FFADHO Cc1cc(CNCCC[N@@H+](C)CCN(C)C)c(Br)cc1F ZINC001308479038 1052459530 /nfs/dbraw/zinc/45/95/30/1052459530.db2.gz MGPSJUATLGHFMM-UHFFFAOYSA-N 1 3 360.315 2.870 20 0 FFADHO Cc1cc(CNCCC[N@H+](C)CCN(C)C)c(Br)cc1F ZINC001308479038 1052459533 /nfs/dbraw/zinc/45/95/33/1052459533.db2.gz MGPSJUATLGHFMM-UHFFFAOYSA-N 1 3 360.315 2.870 20 0 FFADHO COCCN(Cc1c2ccccc2[nH]c1C(=O)OC)CC1CC[NH+](C)CC1 ZINC001308895918 1052513937 /nfs/dbraw/zinc/51/39/37/1052513937.db2.gz WLFCHDPMVOYPSX-UHFFFAOYSA-N 1 3 373.497 2.745 20 0 FFADHO C[NH2+]C[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001346149596 1052769729 /nfs/dbraw/zinc/76/97/29/1052769729.db2.gz CCQNXTNUXWYPNP-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO COCCn1c(C)c(C)n(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001335251160 1053269452 /nfs/dbraw/zinc/26/94/52/1053269452.db2.gz ACCQRWAVDKYDDJ-KSZLIROESA-N 1 3 366.575 2.902 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCCN2CCCC2)C12CCOCC2 ZINC001336255189 1053872760 /nfs/dbraw/zinc/87/27/60/1053872760.db2.gz ZEHHRFHJJUJRMY-IRXDYDNUSA-N 1 3 367.534 2.524 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC2)C[C@H]1C(F)(F)F ZINC001336752023 1054193375 /nfs/dbraw/zinc/19/33/75/1054193375.db2.gz ZUNZVXFPGVTPPO-RBSFLKMASA-N 1 3 350.425 2.972 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)C1C[NH+](C2CCCCC2)C1 ZINC001543760479 1071541785 /nfs/dbraw/zinc/54/17/85/1071541785.db2.gz OUXZCGBMTRYKKV-UHFFFAOYSA-N 1 3 355.526 2.816 20 0 FFADHO C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCCC[C@H]1C ZINC000849061966 1055615408 /nfs/dbraw/zinc/61/54/08/1055615408.db2.gz HSVQBZWTWYESBE-SJORKVTESA-N 1 3 361.509 2.735 20 0 FFADHO COCCC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000849089003 1055634673 /nfs/dbraw/zinc/63/46/73/1055634673.db2.gz GXOXXPWCGQNNKM-UHFFFAOYSA-N 1 3 358.530 2.972 20 0 FFADHO CO[C@H](CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000849088924 1055634687 /nfs/dbraw/zinc/63/46/87/1055634687.db2.gz YAOJGPHNAATAAW-MRXNPFEDSA-N 1 3 372.435 2.732 20 0 FFADHO CC(C)C[C@@H](CCO)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849096593 1055638858 /nfs/dbraw/zinc/63/88/58/1055638858.db2.gz XLYBYLKCLXWJQW-LJQANCHMSA-N 1 3 360.546 2.810 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC001338810416 1055836856 /nfs/dbraw/zinc/83/68/56/1055836856.db2.gz ZSSFGTXWCLVYFV-PMACEKPBSA-N 1 3 374.598 2.988 20 0 FFADHO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cccc3c2CNC3)cc1 ZINC001358059444 1056123196 /nfs/dbraw/zinc/12/31/96/1056123196.db2.gz DRTRJYNQRJNWHH-UHFFFAOYSA-N 1 3 353.466 2.802 20 0 FFADHO Cc1cccc([C@@H](O)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849097272 1056757950 /nfs/dbraw/zinc/75/79/50/1056757950.db2.gz LERBULKEPHNDMO-NRFANRHFSA-N 1 3 366.509 2.807 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(CC2CC2)s1 ZINC001442923513 1058171452 /nfs/dbraw/zinc/17/14/52/1058171452.db2.gz NNEXYOSORDEXEI-MRXNPFEDSA-N 1 3 364.559 2.584 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(Cc3ccco3)C3CCN(C)CC3)C[N@@H+]2C1 ZINC001519436110 1058749169 /nfs/dbraw/zinc/74/91/69/1058749169.db2.gz KAVDUCWZFLKKNF-AOIWGVFYSA-N 1 3 359.514 2.823 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(Cc3ccco3)C3CCN(C)CC3)C[N@H+]2C1 ZINC001519436110 1058749191 /nfs/dbraw/zinc/74/91/91/1058749191.db2.gz KAVDUCWZFLKKNF-AOIWGVFYSA-N 1 3 359.514 2.823 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2cc3ccccc3n(C)c2=O)C[C@H](C)O1 ZINC001200672166 1059034137 /nfs/dbraw/zinc/03/41/37/1059034137.db2.gz MRGPADROZBWOOX-IRXDYDNUSA-N 1 3 357.498 2.518 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@H+]4C3)C2)c1 ZINC001454310562 1059497279 /nfs/dbraw/zinc/49/72/79/1059497279.db2.gz HRPOCJRXCYJOMG-AYWYSENESA-N 1 3 355.526 2.806 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@@H+]4C3)C2)c1 ZINC001454310562 1059497290 /nfs/dbraw/zinc/49/72/90/1059497290.db2.gz HRPOCJRXCYJOMG-AYWYSENESA-N 1 3 355.526 2.806 20 0 FFADHO CCC[NH+]1CCC(Cn2c(C)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)CC1 ZINC001547167885 1071927968 /nfs/dbraw/zinc/92/79/68/1071927968.db2.gz FQHGLVMZAADBAH-SJORKVTESA-N 1 3 362.566 2.627 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CC3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001509420445 1060079652 /nfs/dbraw/zinc/07/96/52/1060079652.db2.gz NCRHHBMOTJIXJC-SFHVURJKSA-N 1 3 374.577 2.665 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CC3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001509420445 1060079674 /nfs/dbraw/zinc/07/96/74/1060079674.db2.gz NCRHHBMOTJIXJC-SFHVURJKSA-N 1 3 374.577 2.665 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000848569156 1060291631 /nfs/dbraw/zinc/29/16/31/1060291631.db2.gz CKZLQPMBDLEUQM-OYNPSCLESA-N 1 3 369.509 2.860 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000848569156 1060291652 /nfs/dbraw/zinc/29/16/52/1060291652.db2.gz CKZLQPMBDLEUQM-OYNPSCLESA-N 1 3 369.509 2.860 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C[N@@H+]2C1 ZINC001521238250 1060484305 /nfs/dbraw/zinc/48/43/05/1060484305.db2.gz WLQNYGSCPHXLHF-KPFFTGBYSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C[N@H+]2C1 ZINC001521238250 1060484310 /nfs/dbraw/zinc/48/43/10/1060484310.db2.gz WLQNYGSCPHXLHF-KPFFTGBYSA-N 1 3 371.525 2.702 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)c1cnc(C2CC[NH2+]CC2)o1 ZINC001521408079 1060581541 /nfs/dbraw/zinc/58/15/41/1060581541.db2.gz GFZQCYBIWHWZRL-UHFFFAOYSA-N 1 3 368.481 2.536 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001477798581 1061802071 /nfs/dbraw/zinc/80/20/71/1061802071.db2.gz GPCBOMOBYOUWDW-NHCUHLMSSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC001477798581 1061802092 /nfs/dbraw/zinc/80/20/92/1061802092.db2.gz GPCBOMOBYOUWDW-NHCUHLMSSA-N 1 3 372.557 2.989 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CCCCN1C ZINC001479103984 1062227638 /nfs/dbraw/zinc/22/76/38/1062227638.db2.gz BMCXAQHHIHEAEE-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CCCCN1C ZINC001479103984 1062227652 /nfs/dbraw/zinc/22/76/52/1062227652.db2.gz BMCXAQHHIHEAEE-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C2)cc1 ZINC001479158550 1062256498 /nfs/dbraw/zinc/25/64/98/1062256498.db2.gz YPEAMORGEBSGIG-IBGZPJMESA-N 1 3 360.546 2.989 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001492897158 1062257377 /nfs/dbraw/zinc/25/73/77/1062257377.db2.gz WTQJXNATHDCTKW-QGZVFWFLSA-N 1 3 362.566 2.772 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001492897158 1062257390 /nfs/dbraw/zinc/25/73/90/1062257390.db2.gz WTQJXNATHDCTKW-QGZVFWFLSA-N 1 3 362.566 2.772 20 0 FFADHO CCOC1CC(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001479470257 1062443641 /nfs/dbraw/zinc/44/36/41/1062443641.db2.gz LAGFASPJXIPVHC-BKVYNOPKSA-N 1 3 365.562 2.550 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C ZINC001479490094 1062477417 /nfs/dbraw/zinc/47/74/17/1062477417.db2.gz ADCKUGUOZCTVET-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C ZINC001479490094 1062477430 /nfs/dbraw/zinc/47/74/30/1062477430.db2.gz ADCKUGUOZCTVET-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1sc(C)nc1C ZINC001479640162 1062687445 /nfs/dbraw/zinc/68/74/45/1062687445.db2.gz AJRNJWMJKKCJQA-JKSUJKDBSA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H](C)N1CCN(c2nnc([C@H]3CCC[N@H+](C)C3)n2CC(C)C)CC1 ZINC001524836909 1063014348 /nfs/dbraw/zinc/01/43/48/1063014348.db2.gz ANSXPROSVYKMMP-MSOLQXFVSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@@H](C)N1CCN(c2nnc([C@H]3CCC[N@@H+](C)C3)n2CC(C)C)CC1 ZINC001524836909 1063014365 /nfs/dbraw/zinc/01/43/65/1063014365.db2.gz ANSXPROSVYKMMP-MSOLQXFVSA-N 1 3 362.566 2.664 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001441316462 1063420547 /nfs/dbraw/zinc/42/05/47/1063420547.db2.gz YKQYPRPNLURTAV-DLBZAZTESA-N 1 3 353.576 2.585 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001497384113 1063699748 /nfs/dbraw/zinc/69/97/48/1063699748.db2.gz SNXWWEQBUCEGEE-RBUKOAKNSA-N 1 3 361.530 2.672 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cc(C)ccc2OC)CC[N@H+]1C ZINC001497384113 1063699757 /nfs/dbraw/zinc/69/97/57/1063699757.db2.gz SNXWWEQBUCEGEE-RBUKOAKNSA-N 1 3 361.530 2.672 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC001467937060 1063887215 /nfs/dbraw/zinc/88/72/15/1063887215.db2.gz WKTNEAVYWRJWHB-HXUWFJFHSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1CC2CCC1CC2 ZINC001470676952 1064408638 /nfs/dbraw/zinc/40/86/38/1064408638.db2.gz KQDXVLGJYFMMBG-CWBGTKBPSA-N 1 3 352.567 2.772 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1CC2CCC1CC2 ZINC001470676952 1064408645 /nfs/dbraw/zinc/40/86/45/1064408645.db2.gz KQDXVLGJYFMMBG-CWBGTKBPSA-N 1 3 352.567 2.772 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc4[nH]ccc4c3C)CC2)CC1 ZINC001472020552 1064893700 /nfs/dbraw/zinc/89/37/00/1064893700.db2.gz WCLKSOVRBZOCJA-UHFFFAOYSA-N 1 3 369.513 2.958 20 0 FFADHO CC(C)c1nnc(N2CCC(C[NH3+])CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001575889268 1078173621 /nfs/dbraw/zinc/17/36/21/1078173621.db2.gz XWLIETKQDNRNAY-LJQANCHMSA-N 1 3 370.545 2.880 20 0 FFADHO CC(C)c1nnc(N2CCC([NH3+])CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001575883124 1078173101 /nfs/dbraw/zinc/17/31/01/1078173101.db2.gz FRQYHWMJQAFLOX-GOSISDBHSA-N 1 3 374.508 2.771 20 0 FFADHO C[C@@H]1CN(CCO)[C@@H](C)CN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473564099 1065285537 /nfs/dbraw/zinc/28/55/37/1065285537.db2.gz IYTRXXDOESBNBF-RTWAWAEBSA-N 1 3 373.585 2.718 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCC2([NH3+])CCOCC2)C1 ZINC001576216556 1078207012 /nfs/dbraw/zinc/20/70/12/1078207012.db2.gz KBUBBNAOOLBTTJ-JKSUJKDBSA-N 1 3 355.523 2.510 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001576312364 1078214805 /nfs/dbraw/zinc/21/48/05/1078214805.db2.gz XSWCYYLEGKVEMN-XLBJILASSA-N 1 3 356.514 2.653 20 0 FFADHO CC[C@H]([NH3+])Cn1c(-c2ccccc2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577131343 1078307548 /nfs/dbraw/zinc/30/75/48/1078307548.db2.gz INMVRQMJCHXCJO-KRWDZBQOSA-N 1 3 370.545 2.911 20 0 FFADHO CC[C@@H]1CN(c2nnc(C)n2C[C@@H](c2cccs2)N(C)C)CC[C@H]1[NH3+] ZINC001577293542 1078332540 /nfs/dbraw/zinc/33/25/40/1078332540.db2.gz ZYJXVABMFLQLNO-OAGGEKHMSA-N 1 3 362.547 2.515 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C)nnc1N1CC[C@H]([NH2+]C)C1)c1ccsc1 ZINC001577685140 1078387596 /nfs/dbraw/zinc/38/75/96/1078387596.db2.gz TZTXCZXDUCIPJI-IRXDYDNUSA-N 1 3 362.547 2.529 20 0 FFADHO CC[NH2+][C@H](C)Cn1c(C2CCC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001577896866 1078411480 /nfs/dbraw/zinc/41/14/80/1078411480.db2.gz QAHLMCOAVVIFII-MRXNPFEDSA-N 1 3 360.550 2.608 20 0 FFADHO CN(C)[C@H](Cn1c(N2CC[C@@H]([NH3+])C2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001578407704 1078470578 /nfs/dbraw/zinc/47/05/78/1078470578.db2.gz BGMLAFJJWOPBFO-IAGOWNOFSA-N 1 3 374.508 2.555 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCCCCC3)cc2)CC1 ZINC001578536296 1078489299 /nfs/dbraw/zinc/48/92/99/1078489299.db2.gz KKMQVBVFSVWVCN-FQEVSTJZSA-N 1 3 358.530 2.670 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001549074722 1073631977 /nfs/dbraw/zinc/63/19/77/1073631977.db2.gz QYESGYFPTNJBOF-NHCUHLMSSA-N 1 3 351.494 2.823 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001549074722 1073631980 /nfs/dbraw/zinc/63/19/80/1073631980.db2.gz QYESGYFPTNJBOF-NHCUHLMSSA-N 1 3 351.494 2.823 20 0 FFADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001549884979 1074065502 /nfs/dbraw/zinc/06/55/02/1074065502.db2.gz MMDKUNDUYJMWDQ-WOCFUTGOSA-N 1 3 359.489 2.685 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001550059901 1074135555 /nfs/dbraw/zinc/13/55/55/1074135555.db2.gz IYTXPUAMRKCPNA-QZTJIDSGSA-N 1 3 371.868 2.764 20 0 FFADHO C[C@H]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC001550280289 1074196664 /nfs/dbraw/zinc/19/66/64/1074196664.db2.gz IRRARSALVXPLLC-XSLAUPDRSA-N 1 3 370.541 2.823 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(NC(C)=O)c3)C2)[C@@H]1C(C)C ZINC001550422587 1074260751 /nfs/dbraw/zinc/26/07/51/1074260751.db2.gz ABAKITKYTPQBNK-TUFLPTIASA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(NC(C)=O)c3)C2)[C@@H]1C(C)C ZINC001550422587 1074260757 /nfs/dbraw/zinc/26/07/57/1074260757.db2.gz ABAKITKYTPQBNK-TUFLPTIASA-N 1 3 359.514 2.604 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(OC)c3F)C2)[C@@H]1C(C)C ZINC001550423773 1074263271 /nfs/dbraw/zinc/26/32/71/1074263271.db2.gz RNZSOLXAUMODEN-FVCZOJIISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cccc(OC)c3F)C2)[C@@H]1C(C)C ZINC001550423773 1074263277 /nfs/dbraw/zinc/26/32/77/1074263277.db2.gz RNZSOLXAUMODEN-FVCZOJIISA-N 1 3 350.478 2.794 20 0 FFADHO Cc1cc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)ccc1-n1cncn1 ZINC001551237449 1074657897 /nfs/dbraw/zinc/65/78/97/1074657897.db2.gz LUFUYQODXMGBLC-UHFFFAOYSA-N 1 3 369.513 2.699 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCC2(C[C@H]2[NH3+])CC1 ZINC001551549309 1074753489 /nfs/dbraw/zinc/75/34/89/1074753489.db2.gz JPTMTGVNTVOZCJ-ZXWVYEGYSA-N 1 3 370.541 2.952 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001552396674 1075072463 /nfs/dbraw/zinc/07/24/63/1075072463.db2.gz SIRRRTWNRAOGIU-HSALFYBXSA-N 1 3 353.441 2.622 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001553295568 1075274977 /nfs/dbraw/zinc/27/49/77/1075274977.db2.gz KOCOCHNYXANKDS-OKZBNKHCSA-N 1 3 374.529 2.951 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553412265 1075302639 /nfs/dbraw/zinc/30/26/39/1075302639.db2.gz CXDOPEFCDZVULG-SLFFLAALSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553425284 1075305208 /nfs/dbraw/zinc/30/52/08/1075305208.db2.gz FSWUNSAJYVWEEK-HSALFYBXSA-N 1 3 356.514 2.607 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC001553552549 1075329544 /nfs/dbraw/zinc/32/95/44/1075329544.db2.gz FQQNTXNRPFWSMW-KRWDZBQOSA-N 1 3 364.559 2.921 20 0 FFADHO Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Cl ZINC001557450974 1075850594 /nfs/dbraw/zinc/85/05/94/1075850594.db2.gz RNVCVTMPIOFUAB-HOTGVXAUSA-N 1 3 369.937 2.804 20 0 FFADHO Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Cl ZINC001557450974 1075850596 /nfs/dbraw/zinc/85/05/96/1075850596.db2.gz RNVCVTMPIOFUAB-HOTGVXAUSA-N 1 3 369.937 2.804 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2C)[NH+]1CCCC1 ZINC001563600844 1076569657 /nfs/dbraw/zinc/56/96/57/1076569657.db2.gz SUWZDBKQXCCYAT-QRVBRYPASA-N 1 3 350.551 2.765 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC001564816622 1076661805 /nfs/dbraw/zinc/66/18/05/1076661805.db2.gz VYGZIRHCOJACDW-SJLPKXTDSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC001564816622 1076661806 /nfs/dbraw/zinc/66/18/06/1076661806.db2.gz VYGZIRHCOJACDW-SJLPKXTDSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCc2ccccc21 ZINC001564851130 1076664321 /nfs/dbraw/zinc/66/43/21/1076664321.db2.gz HXMNYDDQTWCSEU-PKOBYXMFSA-N 1 3 360.546 2.678 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCc2ccccc21 ZINC001564851130 1076664323 /nfs/dbraw/zinc/66/43/23/1076664323.db2.gz HXMNYDDQTWCSEU-PKOBYXMFSA-N 1 3 360.546 2.678 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3F)CC[C@@H]2C1 ZINC001566052445 1076879390 /nfs/dbraw/zinc/87/93/90/1076879390.db2.gz BKJCHLJOXHYETE-MJGOQNOKSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ccc3F)CC[C@@H]2C1 ZINC001566052445 1076879395 /nfs/dbraw/zinc/87/93/95/1076879395.db2.gz BKJCHLJOXHYETE-MJGOQNOKSA-N 1 3 361.505 2.756 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2ccc(F)cc2Cl)C2CC2)CC[N@@H+]1C ZINC001569303807 1077137162 /nfs/dbraw/zinc/13/71/62/1077137162.db2.gz XEOBDOXOOYIKPH-NJAPINKUSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2ccc(F)cc2Cl)C2CC2)CC[N@H+]1C ZINC001569303807 1077137163 /nfs/dbraw/zinc/13/71/63/1077137163.db2.gz XEOBDOXOOYIKPH-NJAPINKUSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001587869811 1079882826 /nfs/dbraw/zinc/88/28/26/1079882826.db2.gz WMBRYLXDHWVMCR-NSHGMRRFSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001587869811 1079882832 /nfs/dbraw/zinc/88/28/32/1079882832.db2.gz WMBRYLXDHWVMCR-NSHGMRRFSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001589957814 1080903420 /nfs/dbraw/zinc/90/34/20/1080903420.db2.gz UEQSBELTRIOTHI-ODIFPOPNSA-N 1 3 355.490 2.709 20 0 FFADHO C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001589957814 1080903425 /nfs/dbraw/zinc/90/34/25/1080903425.db2.gz UEQSBELTRIOTHI-ODIFPOPNSA-N 1 3 355.490 2.709 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CN(C4CC4)CCO2)C3)cc1 ZINC000377081084 512114598 /nfs/dbraw/zinc/11/45/98/512114598.db2.gz HPPHKLVDCNAPIY-FVTFTPSCSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CN(C4CC4)CCO2)C3)cc1 ZINC000377081084 512114603 /nfs/dbraw/zinc/11/46/03/512114603.db2.gz HPPHKLVDCNAPIY-FVTFTPSCSA-N 1 3 355.526 2.635 20 0 FFADHO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)c(OC(F)F)c3)C2)CC1 ZINC000093133018 250019043 /nfs/dbraw/zinc/01/90/43/250019043.db2.gz FBDUJFZVJRDDCZ-MRXNPFEDSA-N 1 3 369.456 2.508 20 0 FFADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC)c(OC(F)F)c3)C2)CC1 ZINC000093133018 250019044 /nfs/dbraw/zinc/01/90/44/250019044.db2.gz FBDUJFZVJRDDCZ-MRXNPFEDSA-N 1 3 369.456 2.508 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000093121703 250019306 /nfs/dbraw/zinc/01/93/06/250019306.db2.gz CEPQSFVEYCXVAH-UHFFFAOYSA-N 1 3 373.545 2.860 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000153520100 251148174 /nfs/dbraw/zinc/14/81/74/251148174.db2.gz AYPLIGSGTFKEOK-NHCUHLMSSA-N 1 3 373.541 2.829 20 0 FFADHO COc1cccc(F)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000186794434 251265294 /nfs/dbraw/zinc/26/52/94/251265294.db2.gz URFWQIFXXBCYRT-UHFFFAOYSA-N 1 3 364.465 2.514 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1cccs1 ZINC000251662437 251300046 /nfs/dbraw/zinc/30/00/46/251300046.db2.gz KVOFBGCGRNHVGV-BQFCYCMXSA-N 1 3 364.559 2.724 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272393550 252028316 /nfs/dbraw/zinc/02/83/16/252028316.db2.gz JEIPHHHXQMXNGM-YLJYHZDGSA-N 1 3 374.529 2.965 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)[C@@H]2C1 ZINC000272454187 252043269 /nfs/dbraw/zinc/04/32/69/252043269.db2.gz NAZNAMOXWYCWSN-IXDOHACOSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)[C@@H]2C1 ZINC000272454187 252043272 /nfs/dbraw/zinc/04/32/72/252043272.db2.gz NAZNAMOXWYCWSN-IXDOHACOSA-N 1 3 362.543 2.621 20 0 FFADHO NC(=O)[C@H](Cc1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000273517024 252322346 /nfs/dbraw/zinc/32/23/46/252322346.db2.gz RXAQGDYBWWJJAW-NRFANRHFSA-N 1 3 351.494 2.585 20 0 FFADHO Cc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)c(OCCN(C)C)c1 ZINC000277610117 256217160 /nfs/dbraw/zinc/21/71/60/256217160.db2.gz ASKKCZBUTSTNAX-UHFFFAOYSA-N 1 3 374.529 2.931 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000278464986 256315345 /nfs/dbraw/zinc/31/53/45/256315345.db2.gz FYFQAFGSGIQYOS-FUHWJXTLSA-N 1 3 362.518 2.511 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000278464986 256315346 /nfs/dbraw/zinc/31/53/46/256315346.db2.gz FYFQAFGSGIQYOS-FUHWJXTLSA-N 1 3 362.518 2.511 20 0 FFADHO O=C(Nc1cccc(CN2CCCCC2)c1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000279008971 256371714 /nfs/dbraw/zinc/37/17/14/256371714.db2.gz NDRCGCSUENKNGD-INIZCTEOSA-N 1 3 353.470 2.725 20 0 FFADHO CC(C)[C@H](CNC(=O)NCCN1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000071932387 221388173 /nfs/dbraw/zinc/38/81/73/221388173.db2.gz AZEFVRKFBGFGNC-OALUTQOASA-N 1 3 352.567 2.774 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1OC ZINC000285971368 257013869 /nfs/dbraw/zinc/01/38/69/257013869.db2.gz HDIPAQFRFVVSCO-KRWDZBQOSA-N 1 3 363.546 2.560 20 0 FFADHO C[C@H](C[NH3+])C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000285982638 257014581 /nfs/dbraw/zinc/01/45/81/257014581.db2.gz HUURUDULSSAZPL-QGZVFWFLSA-N 1 3 352.482 2.542 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000286655411 257047687 /nfs/dbraw/zinc/04/76/87/257047687.db2.gz OQAFXACDVOKRMG-UHFFFAOYSA-N 1 3 364.534 2.863 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000288152693 257152965 /nfs/dbraw/zinc/15/29/65/257152965.db2.gz OFRYRVLZWSYLRR-FXAWDEMLSA-N 1 3 358.530 2.821 20 0 FFADHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1OC(F)F ZINC000289145621 257260395 /nfs/dbraw/zinc/26/03/95/257260395.db2.gz AQSZMWMKHCZYIH-UHFFFAOYSA-N 1 3 371.472 2.754 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000289189917 257264174 /nfs/dbraw/zinc/26/41/74/257264174.db2.gz BKPIEFBJLTZLNT-UHFFFAOYSA-N 1 3 357.542 2.860 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c(C2CC2)nc2sccn12 ZINC000289678579 257293561 /nfs/dbraw/zinc/29/35/61/257293561.db2.gz DXGGHUHZAUKNHB-UHFFFAOYSA-N 1 3 361.559 2.731 20 0 FFADHO Cc1ccccc1-n1cc(CNCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000290236564 257321472 /nfs/dbraw/zinc/32/14/72/257321472.db2.gz YYRVJNKZRGXLBV-UHFFFAOYSA-N 1 3 362.481 2.977 20 0 FFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000290264775 257322721 /nfs/dbraw/zinc/32/27/21/257322721.db2.gz XWCYUNSBFREDOH-LEWJYISDSA-N 1 3 373.541 2.562 20 0 FFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000290264777 257322803 /nfs/dbraw/zinc/32/28/03/257322803.db2.gz XWCYUNSBFREDOH-NHCUHLMSSA-N 1 3 373.541 2.562 20 0 FFADHO Cc1[nH+]c2ccccc2c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1C ZINC000302095750 258087435 /nfs/dbraw/zinc/08/74/35/258087435.db2.gz RWLVVLLMHFGITI-LJQANCHMSA-N 1 3 352.482 2.594 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333168583 258253545 /nfs/dbraw/zinc/25/35/45/258253545.db2.gz HTCMGCUESKIMRC-PPQDBTBKSA-N 1 3 370.541 2.584 20 0 FFADHO C[NH+](C)CCCC(C)(C)NCc1ncc(I)s1 ZINC000387342941 512892539 /nfs/dbraw/zinc/89/25/39/512892539.db2.gz QOALKPZJYXHAKN-UHFFFAOYSA-N 1 3 367.300 2.958 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368941518 512146845 /nfs/dbraw/zinc/14/68/45/512146845.db2.gz JKXPNDSMFVOZGZ-PMACEKPBSA-N 1 3 358.530 2.907 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368941518 512146850 /nfs/dbraw/zinc/14/68/50/512146850.db2.gz JKXPNDSMFVOZGZ-PMACEKPBSA-N 1 3 358.530 2.907 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CCCC23CCN(C)CC3)cc1C ZINC000368966730 512161243 /nfs/dbraw/zinc/16/12/43/512161243.db2.gz QPCCWJLTXWBQPG-UHFFFAOYSA-N 1 3 360.498 2.915 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CCCC23CCN(C)CC3)cc1C ZINC000368966730 512161249 /nfs/dbraw/zinc/16/12/49/512161249.db2.gz QPCCWJLTXWBQPG-UHFFFAOYSA-N 1 3 360.498 2.915 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCCC23CC[NH+](C)CC3)cc1C ZINC000368966730 512161253 /nfs/dbraw/zinc/16/12/53/512161253.db2.gz QPCCWJLTXWBQPG-UHFFFAOYSA-N 1 3 360.498 2.915 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377455411 512276487 /nfs/dbraw/zinc/27/64/87/512276487.db2.gz LAFKRWIBHJDTQW-PWRODBHTSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377455411 512276492 /nfs/dbraw/zinc/27/64/92/512276492.db2.gz LAFKRWIBHJDTQW-PWRODBHTSA-N 1 3 370.541 2.825 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000066175028 506434479 /nfs/dbraw/zinc/43/44/79/506434479.db2.gz HMGQAQBFFCHGJJ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000066177753 506438487 /nfs/dbraw/zinc/43/84/87/506438487.db2.gz BNGQBOVFTTYGGO-OAQYLSRUSA-N 1 3 370.541 2.839 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067682507 506972813 /nfs/dbraw/zinc/97/28/13/506972813.db2.gz SAQJHEZMHACTDQ-SFTDATJTSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067682507 506972821 /nfs/dbraw/zinc/97/28/21/506972821.db2.gz SAQJHEZMHACTDQ-SFTDATJTSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000067679617 506973454 /nfs/dbraw/zinc/97/34/54/506973454.db2.gz SLLCUPCGHWESLC-IBGZPJMESA-N 1 3 350.551 2.626 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000067679617 506973456 /nfs/dbraw/zinc/97/34/56/506973456.db2.gz SLLCUPCGHWESLC-IBGZPJMESA-N 1 3 350.551 2.626 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000047304251 507306166 /nfs/dbraw/zinc/30/61/66/507306166.db2.gz LLBQCFRMSCQZDQ-UHFFFAOYSA-N 1 3 359.514 2.764 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000369316637 512348420 /nfs/dbraw/zinc/34/84/20/512348420.db2.gz RCPASTFUODNOAD-FPOVZHCZSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000369316637 512348422 /nfs/dbraw/zinc/34/84/22/512348422.db2.gz RCPASTFUODNOAD-FPOVZHCZSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCCN(C)C3)cc2)C1 ZINC000062646662 507680594 /nfs/dbraw/zinc/68/05/94/507680594.db2.gz OTFPRDWVINXTTN-XLIONFOSSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCN(C)C3)cc2)C1 ZINC000062646662 507680599 /nfs/dbraw/zinc/68/05/99/507680599.db2.gz OTFPRDWVINXTTN-XLIONFOSSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000050800013 507713628 /nfs/dbraw/zinc/71/36/28/507713628.db2.gz PEKYDENHJQAXRZ-UHFFFAOYSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000051298459 507759912 /nfs/dbraw/zinc/75/99/12/507759912.db2.gz OLGGQVXFMOYQCA-UHFFFAOYSA-N 1 3 372.557 2.704 20 0 FFADHO CC(C)[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000089393185 507835299 /nfs/dbraw/zinc/83/52/99/507835299.db2.gz BZBOMRUCNNNYLH-HXUWFJFHSA-N 1 3 358.530 2.925 20 0 FFADHO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc(OCCN(C)C)c1 ZINC000089546019 507846483 /nfs/dbraw/zinc/84/64/83/507846483.db2.gz YYNASIWBVFMYIT-INIZCTEOSA-N 1 3 355.482 2.619 20 0 FFADHO CC1CCN(CCNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000107983063 507875065 /nfs/dbraw/zinc/87/50/65/507875065.db2.gz RUTSMCWARVWARQ-KDURUIRLSA-N 1 3 352.567 2.776 20 0 FFADHO CC1CCN(CCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000107983063 507875068 /nfs/dbraw/zinc/87/50/68/507875068.db2.gz RUTSMCWARVWARQ-KDURUIRLSA-N 1 3 352.567 2.776 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000072954307 507875894 /nfs/dbraw/zinc/87/58/94/507875894.db2.gz NOPXWCNMRNJIAU-ROUUACIJSA-N 1 3 358.530 2.986 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000078489896 507876021 /nfs/dbraw/zinc/87/60/21/507876021.db2.gz HZULITHRQSIRBB-UHFFFAOYSA-N 1 3 361.515 2.767 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000073012148 507884542 /nfs/dbraw/zinc/88/45/42/507884542.db2.gz GCLXTPFEHWVKFN-GOSISDBHSA-N 1 3 353.551 2.648 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC1 ZINC000073108439 507894610 /nfs/dbraw/zinc/89/46/10/507894610.db2.gz JDOAACMWHCWGQG-UHFFFAOYSA-N 1 3 367.484 2.975 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)N(C)C)cc1 ZINC000108541381 507902758 /nfs/dbraw/zinc/90/27/58/507902758.db2.gz WCSHYUKCYYILQU-PMACEKPBSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)N(C)C)cc1 ZINC000108541381 507902759 /nfs/dbraw/zinc/90/27/59/507902759.db2.gz WCSHYUKCYYILQU-PMACEKPBSA-N 1 3 358.530 2.635 20 0 FFADHO c1ccc(CC[NH+]2CCC(N[C@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000090802969 507936929 /nfs/dbraw/zinc/93/69/29/507936929.db2.gz LRHCOSSVVSIESL-NRFANRHFSA-N 1 3 350.510 2.957 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000073874666 507963256 /nfs/dbraw/zinc/96/32/56/507963256.db2.gz ZGLXSHWTVJAPAL-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@@H](CNc2ncc(Cl)c(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000091482650 507989150 /nfs/dbraw/zinc/98/91/50/507989150.db2.gz CHBNQKYNKAQXDZ-CABCVRRESA-N 1 3 366.941 2.637 20 0 FFADHO CN1CCC[C@@H](CNc2ncc(Cl)c(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000091482650 507989153 /nfs/dbraw/zinc/98/91/53/507989153.db2.gz CHBNQKYNKAQXDZ-CABCVRRESA-N 1 3 366.941 2.637 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000074225659 508000090 /nfs/dbraw/zinc/00/00/90/508000090.db2.gz YGJVFAFBAHUMMV-LJQANCHMSA-N 1 3 372.557 2.680 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000091833068 508016945 /nfs/dbraw/zinc/01/69/45/508016945.db2.gz KVRSFLPDKOZURT-LJQANCHMSA-N 1 3 369.513 2.900 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000091833068 508016947 /nfs/dbraw/zinc/01/69/47/508016947.db2.gz KVRSFLPDKOZURT-LJQANCHMSA-N 1 3 369.513 2.900 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000092500699 508075223 /nfs/dbraw/zinc/07/52/23/508075223.db2.gz LJGQQWBTKHYRQY-QGZVFWFLSA-N 1 3 361.534 2.670 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112746291 508219844 /nfs/dbraw/zinc/21/98/44/508219844.db2.gz YGJCQWIYUOGHFM-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000097174544 508220519 /nfs/dbraw/zinc/22/05/19/508220519.db2.gz HUXZGSOBTVGAPB-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000097174544 508220520 /nfs/dbraw/zinc/22/05/20/508220520.db2.gz HUXZGSOBTVGAPB-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO CCN(CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000101977128 508262530 /nfs/dbraw/zinc/26/25/30/508262530.db2.gz WLXIZHXSSWDZNW-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000085394399 508305834 /nfs/dbraw/zinc/30/58/34/508305834.db2.gz KSJDTWZUGKENMA-XWTMOSNGSA-N 1 3 352.567 2.725 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000085394399 508305835 /nfs/dbraw/zinc/30/58/35/508305835.db2.gz KSJDTWZUGKENMA-XWTMOSNGSA-N 1 3 352.567 2.725 20 0 FFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000114503825 508323069 /nfs/dbraw/zinc/32/30/69/508323069.db2.gz IGWALAXPXRPUBE-HOCLYGCPSA-N 1 3 352.486 2.913 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000114834489 508352078 /nfs/dbraw/zinc/35/20/78/508352078.db2.gz LYIBRJDMKQJHSY-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000114936418 508360367 /nfs/dbraw/zinc/36/03/67/508360367.db2.gz OEDVMEPFQZMECY-IBGZPJMESA-N 1 3 360.546 2.800 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000105126175 508362538 /nfs/dbraw/zinc/36/25/38/508362538.db2.gz JQTCJOIEVARNDD-UXHICEINSA-N 1 3 358.530 2.559 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccsc1 ZINC000105123968 508362610 /nfs/dbraw/zinc/36/26/10/508362610.db2.gz GVCPMKZMXSOJNU-RHSMWYFYSA-N 1 3 352.548 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccsc1 ZINC000105123968 508362612 /nfs/dbraw/zinc/36/26/12/508362612.db2.gz GVCPMKZMXSOJNU-RHSMWYFYSA-N 1 3 352.548 2.913 20 0 FFADHO COC(=O)c1ccc(-c2ccc(CNCC3CC[NH+](CCO)CC3)o2)cc1 ZINC000133856320 508459569 /nfs/dbraw/zinc/45/95/69/508459569.db2.gz AXQZUQKVBVYTGM-UHFFFAOYSA-N 1 3 372.465 2.527 20 0 FFADHO COC(=O)c1ccc(-c2ccc(C[NH2+]CC3CCN(CCO)CC3)o2)cc1 ZINC000133856320 508459574 /nfs/dbraw/zinc/45/95/74/508459574.db2.gz AXQZUQKVBVYTGM-UHFFFAOYSA-N 1 3 372.465 2.527 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000122192939 508496625 /nfs/dbraw/zinc/49/66/25/508496625.db2.gz GQXSFOSKCWLUJH-KDURUIRLSA-N 1 3 367.578 2.846 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000122192939 508496626 /nfs/dbraw/zinc/49/66/26/508496626.db2.gz GQXSFOSKCWLUJH-KDURUIRLSA-N 1 3 367.578 2.846 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000152937623 508532570 /nfs/dbraw/zinc/53/25/70/508532570.db2.gz MASDONKJAPYALI-AWEZNQCLSA-N 1 3 374.451 2.901 20 0 FFADHO CSc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1F ZINC000128032709 508538244 /nfs/dbraw/zinc/53/82/44/508538244.db2.gz ZHIMJDYBYDUPMK-ZFWWWQNUSA-N 1 3 353.507 2.786 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000153414287 508580439 /nfs/dbraw/zinc/58/04/39/508580439.db2.gz LGTJUFVFJNJASA-KRWDZBQOSA-N 1 3 354.926 2.926 20 0 FFADHO CCOC(=O)CCCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000117877751 508622174 /nfs/dbraw/zinc/62/21/74/508622174.db2.gz YBZPKCAFZHPVFT-ROUUACIJSA-N 1 3 354.535 2.931 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000158581771 508724364 /nfs/dbraw/zinc/72/43/64/508724364.db2.gz VHEXJUQUXCXWAV-HXUWFJFHSA-N 1 3 360.546 2.723 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccsc1 ZINC000129501923 508733976 /nfs/dbraw/zinc/73/39/76/508733976.db2.gz OIMCBTYBJGWOKF-DOTOQJQBSA-N 1 3 352.548 2.724 20 0 FFADHO COc1ccc([C@@H](C[NH2+]C2CCN(CC3CC3)CC2)N2CCOCC2)cc1 ZINC000154244792 508745009 /nfs/dbraw/zinc/74/50/09/508745009.db2.gz BXVZDTOUAJEELP-JOCHJYFZSA-N 1 3 373.541 2.533 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000119231841 508752943 /nfs/dbraw/zinc/75/29/43/508752943.db2.gz RWILSKBJWOJZML-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000119231841 508752946 /nfs/dbraw/zinc/75/29/46/508752946.db2.gz RWILSKBJWOJZML-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CCC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000158868279 508762351 /nfs/dbraw/zinc/76/23/51/508762351.db2.gz NBJSAPBKRGJOHW-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000137850193 508765225 /nfs/dbraw/zinc/76/52/25/508765225.db2.gz IINUXEWWSZHEAC-IOMROCGXSA-N 1 3 373.541 2.559 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000139221357 508785318 /nfs/dbraw/zinc/78/53/18/508785318.db2.gz LNWOPXIRZHDRHR-XHSDSOJGSA-N 1 3 360.502 2.777 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC2CCC2)cc1Cl ZINC000130280260 508809396 /nfs/dbraw/zinc/80/93/96/508809396.db2.gz UKMOLYWXCQVDIG-UHFFFAOYSA-N 1 3 367.921 2.837 20 0 FFADHO C[C@@H]1C[C@H](C)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000124348658 508819024 /nfs/dbraw/zinc/81/90/24/508819024.db2.gz SBGLHNXCMGQBJN-IAGOWNOFSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C)CCn1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000119787032 508862540 /nfs/dbraw/zinc/86/25/40/508862540.db2.gz CYJJWCFLVJFEOW-UHFFFAOYSA-N 1 3 370.545 2.587 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000150749701 508885489 /nfs/dbraw/zinc/88/54/89/508885489.db2.gz ZYHOZDGQEJIKDV-QGZVFWFLSA-N 1 3 366.575 2.799 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000150749701 508885490 /nfs/dbraw/zinc/88/54/90/508885490.db2.gz ZYHOZDGQEJIKDV-QGZVFWFLSA-N 1 3 366.575 2.799 20 0 FFADHO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)N1CCOCC1 ZINC000120028902 508913093 /nfs/dbraw/zinc/91/30/93/508913093.db2.gz DKDYKQMBGBQMRX-WIYYLYMNSA-N 1 3 363.546 2.634 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150976366 508934014 /nfs/dbraw/zinc/93/40/14/508934014.db2.gz IRCGBKLBQHNHTG-QGZVFWFLSA-N 1 3 355.530 2.857 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000131545249 508948126 /nfs/dbraw/zinc/94/81/26/508948126.db2.gz IVYFCXOACJDTBE-UHFFFAOYSA-N 1 3 361.515 2.767 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155291928 508968406 /nfs/dbraw/zinc/96/84/06/508968406.db2.gz RHZZGZKOTUGSHP-LEWJYISDSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000155422486 508997651 /nfs/dbraw/zinc/99/76/51/508997651.db2.gz GQCFHOBFZLTYSU-ROUUACIJSA-N 1 3 358.530 2.988 20 0 FFADHO Cc1cccc(C)c1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120632866 509035939 /nfs/dbraw/zinc/03/59/39/509035939.db2.gz MALNYTHYJKZQBP-UHFFFAOYSA-N 1 3 372.557 2.704 20 0 FFADHO C[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000132898520 509088854 /nfs/dbraw/zinc/08/88/54/509088854.db2.gz TVDBXDOGOAUCHG-VVIORFSUSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000132898520 509088856 /nfs/dbraw/zinc/08/88/56/509088856.db2.gz TVDBXDOGOAUCHG-VVIORFSUSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000132898520 509088859 /nfs/dbraw/zinc/08/88/59/509088859.db2.gz TVDBXDOGOAUCHG-VVIORFSUSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000132898520 509088862 /nfs/dbraw/zinc/08/88/62/509088862.db2.gz TVDBXDOGOAUCHG-VVIORFSUSA-N 1 3 360.542 2.872 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC000120938645 509093675 /nfs/dbraw/zinc/09/36/75/509093675.db2.gz RNABVPIRPPIFKZ-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c(OC)c1 ZINC000120938645 509093680 /nfs/dbraw/zinc/09/36/80/509093680.db2.gz RNABVPIRPPIFKZ-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO CC1CCN([C@@H](CNC(=O)C[C@H]2CSCC[NH2+]2)c2cccs2)CC1 ZINC000133367561 509151754 /nfs/dbraw/zinc/15/17/54/509151754.db2.gz YWKOHJRFIJGBIZ-HOTGVXAUSA-N 1 3 367.584 2.732 20 0 FFADHO CN(C)CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000133391639 509154518 /nfs/dbraw/zinc/15/45/18/509154518.db2.gz NPPIDJHTOBRPMG-UHFFFAOYSA-N 1 3 354.498 2.776 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N(C)CCN(C)C3CC3)CC2)CC1 ZINC000185593690 509255226 /nfs/dbraw/zinc/25/52/26/509255226.db2.gz KEWVLAWCWVFTCB-UHFFFAOYSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248388738 509286694 /nfs/dbraw/zinc/28/66/94/509286694.db2.gz ACQBXASILCJDJS-XFKSJGNHSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248388738 509286699 /nfs/dbraw/zinc/28/66/99/509286699.db2.gz ACQBXASILCJDJS-XFKSJGNHSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248392907 509289592 /nfs/dbraw/zinc/28/95/92/509289592.db2.gz DOGSXPXSSXJDIM-XBYSBRQOSA-N 1 3 370.585 2.513 20 0 FFADHO C[C@H](NC[C@H](O)COCc1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185676393 509298087 /nfs/dbraw/zinc/29/80/87/509298087.db2.gz NKOBTVMCRUGZEQ-JZXOWHBKSA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H](NC[C@H](O)COCc1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185676393 509298089 /nfs/dbraw/zinc/29/80/89/509298089.db2.gz NKOBTVMCRUGZEQ-JZXOWHBKSA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COCc1cccs1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185676393 509298095 /nfs/dbraw/zinc/29/80/95/509298095.db2.gz NKOBTVMCRUGZEQ-JZXOWHBKSA-N 1 3 352.544 2.868 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179260098 509343387 /nfs/dbraw/zinc/34/33/87/509343387.db2.gz QOGXEBIVGNROIJ-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C1CC[NH2+]CC1 ZINC000182642315 509347321 /nfs/dbraw/zinc/34/73/21/509347321.db2.gz UEZSMNWMUIASPA-IBGZPJMESA-N 1 3 367.497 2.577 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248587739 509380046 /nfs/dbraw/zinc/38/00/46/509380046.db2.gz QMZUASLJRPJMLD-LZLYRXPVSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248587739 509380052 /nfs/dbraw/zinc/38/00/52/509380052.db2.gz QMZUASLJRPJMLD-LZLYRXPVSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000248587739 509380057 /nfs/dbraw/zinc/38/00/57/509380057.db2.gz QMZUASLJRPJMLD-LZLYRXPVSA-N 1 3 350.478 2.808 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179462181 509456255 /nfs/dbraw/zinc/45/62/55/509456255.db2.gz GVSNTLOJSAVOFQ-VQTJNVASSA-N 1 3 358.530 2.948 20 0 FFADHO C[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179478550 509467464 /nfs/dbraw/zinc/46/74/64/509467464.db2.gz MOBCRQQFTGKBHU-UXHICEINSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179478550 509467473 /nfs/dbraw/zinc/46/74/73/509467473.db2.gz MOBCRQQFTGKBHU-UXHICEINSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H](CS(C)(=O)=O)[NH2+]CCCCN1CCC(Cc2ccccc2)CC1 ZINC000182926941 509499404 /nfs/dbraw/zinc/49/94/04/509499404.db2.gz WCEABUWMOVXODO-GOSISDBHSA-N 1 3 366.571 2.744 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000176428391 509504537 /nfs/dbraw/zinc/50/45/37/509504537.db2.gz STXALRHEGGQNOL-UHFFFAOYSA-N 1 3 364.559 2.696 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264428383 509523386 /nfs/dbraw/zinc/52/33/86/509523386.db2.gz ARBVAVOXMRZULO-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264428383 509523393 /nfs/dbraw/zinc/52/33/93/509523393.db2.gz ARBVAVOXMRZULO-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236885261 509524536 /nfs/dbraw/zinc/52/45/36/509524536.db2.gz FRFYTNOEVXGKTB-GOEBONIOSA-N 1 3 357.420 2.814 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)CC1 ZINC000236963728 509541508 /nfs/dbraw/zinc/54/15/08/509541508.db2.gz ZSLMOZXOXSIXBB-UHFFFAOYSA-N 1 3 358.530 2.542 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000176519920 509558468 /nfs/dbraw/zinc/55/84/68/509558468.db2.gz XHVNQERXOUFQTR-HKBOAZHASA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000176519920 509558476 /nfs/dbraw/zinc/55/84/76/509558476.db2.gz XHVNQERXOUFQTR-HKBOAZHASA-N 1 3 370.541 2.919 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000237230024 509598840 /nfs/dbraw/zinc/59/88/40/509598840.db2.gz MOSLZCXSNSHGNE-NQIIRXRSSA-N 1 3 357.542 2.788 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176606429 509607335 /nfs/dbraw/zinc/60/73/35/509607335.db2.gz MOZUJSMVGVCZPM-MOPGFXCFSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(OCCN(C)C)cc1 ZINC000166459759 509607966 /nfs/dbraw/zinc/60/79/66/509607966.db2.gz RJLKCGYIWDZUOA-PKOBYXMFSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000179770825 509615761 /nfs/dbraw/zinc/61/57/61/509615761.db2.gz TXHACZVQTJUFCV-JXXFODFXSA-N 1 3 358.530 2.525 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000179770825 509615770 /nfs/dbraw/zinc/61/57/70/509615770.db2.gz TXHACZVQTJUFCV-JXXFODFXSA-N 1 3 358.530 2.525 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CSCCN2)CCCC1)c1ccccc1 ZINC000237401443 509639013 /nfs/dbraw/zinc/63/90/13/509639013.db2.gz ZDVCSPPFSUDLKK-SJLPKXTDSA-N 1 3 361.555 2.861 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000183195838 509652135 /nfs/dbraw/zinc/65/21/35/509652135.db2.gz WYCAUOZIFQFOMR-YLJYHZDGSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C[C@@H](c2ccccc2)C1 ZINC000168961309 509654491 /nfs/dbraw/zinc/65/44/91/509654491.db2.gz UXVCLRSORZXGTI-ACIOBRDBSA-N 1 3 373.585 2.939 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000249381414 509664512 /nfs/dbraw/zinc/66/45/12/509664512.db2.gz QKETXBHEWMLQLY-LWYYNNOASA-N 1 3 367.578 2.750 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186364829 509670886 /nfs/dbraw/zinc/67/08/86/509670886.db2.gz WGDSXBFMUQBLSL-UHFFFAOYSA-N 1 3 361.530 2.839 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(F)cc(F)c1 ZINC000173705939 509730616 /nfs/dbraw/zinc/73/06/16/509730616.db2.gz XYGIGQKHBDYWFH-GOSISDBHSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(F)cc(F)c1 ZINC000173705939 509730621 /nfs/dbraw/zinc/73/06/21/509730621.db2.gz XYGIGQKHBDYWFH-GOSISDBHSA-N 1 3 368.472 2.522 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[C@H]1c1ccccc1 ZINC000183395891 509759831 /nfs/dbraw/zinc/75/98/31/509759831.db2.gz YMXRXGSCMSZQRC-UAFMIMERSA-N 1 3 356.514 2.558 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[C@H]1c1ccccc1 ZINC000183395891 509759839 /nfs/dbraw/zinc/75/98/39/509759839.db2.gz YMXRXGSCMSZQRC-UAFMIMERSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1 ZINC000173949508 509870930 /nfs/dbraw/zinc/87/09/30/509870930.db2.gz IIXGEVCTNMSWAZ-INIZCTEOSA-N 1 3 372.517 2.696 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173996427 509894524 /nfs/dbraw/zinc/89/45/24/509894524.db2.gz ZORQUJBXRWVYKK-FXAWDEMLSA-N 1 3 372.557 2.947 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000173996427 509894533 /nfs/dbraw/zinc/89/45/33/509894533.db2.gz ZORQUJBXRWVYKK-FXAWDEMLSA-N 1 3 372.557 2.947 20 0 FFADHO CC(C)[C@H](CNC(=O)N1CC[C@H](N2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000171038172 509902725 /nfs/dbraw/zinc/90/27/25/509902725.db2.gz DKOAIZBFXUANBC-OALUTQOASA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1CCCCCC1 ZINC000180480503 509944942 /nfs/dbraw/zinc/94/49/42/509944942.db2.gz LFSJXIXYYYVNLQ-WIYYLYMNSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1CCCCCC1 ZINC000180480503 509944952 /nfs/dbraw/zinc/94/49/52/509944952.db2.gz LFSJXIXYYYVNLQ-WIYYLYMNSA-N 1 3 373.541 2.524 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174262931 510028963 /nfs/dbraw/zinc/02/89/63/510028963.db2.gz PCKNDMUVSRIUST-NHCUHLMSSA-N 1 3 370.541 2.778 20 0 FFADHO Cc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C)n1 ZINC000187064100 510035751 /nfs/dbraw/zinc/03/57/51/510035751.db2.gz ZCGZOADMVRMBPF-UHFFFAOYSA-N 1 3 360.546 2.614 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C[C@H](C)O1 ZINC000187168874 510100108 /nfs/dbraw/zinc/10/01/08/510100108.db2.gz SXIYFHNKFDDMRS-IRXDYDNUSA-N 1 3 359.514 2.575 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268851998 510100323 /nfs/dbraw/zinc/10/03/23/510100323.db2.gz WQRVUEQQWHFXMY-QWHCGFSZSA-N 1 3 358.454 2.818 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268858294 510105181 /nfs/dbraw/zinc/10/51/81/510105181.db2.gz IXEDUEMWYGIUKV-XPNTWCBSSA-N 1 3 372.601 2.903 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000268909055 510130267 /nfs/dbraw/zinc/13/02/67/510130267.db2.gz SMIJKXDTMGCNBX-IRLDBZIGSA-N 1 3 358.574 2.514 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000174486480 510137163 /nfs/dbraw/zinc/13/71/63/510137163.db2.gz CJVCVEBIDQSUFY-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO OC1CCN(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245781307 510143618 /nfs/dbraw/zinc/14/36/18/510143618.db2.gz YWQCIHWIQQMWSH-MZADTFQBSA-N 1 3 357.542 2.618 20 0 FFADHO COc1ccc(Oc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262074416 510168783 /nfs/dbraw/zinc/16/87/83/510168783.db2.gz DAKMFIAUCIGFRI-LJQANCHMSA-N 1 3 367.493 2.967 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000269028694 510200507 /nfs/dbraw/zinc/20/05/07/510200507.db2.gz RSDFZRMNWUSOJU-KJXAQDMKSA-N 1 3 371.569 2.988 20 0 FFADHO CCC[C@@](C)(N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000262242953 510217976 /nfs/dbraw/zinc/21/79/76/510217976.db2.gz ALXATJBFFYAPGQ-OAQYLSRUSA-N 1 3 361.530 2.691 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000171633209 510264699 /nfs/dbraw/zinc/26/46/99/510264699.db2.gz DLXFKKLMVUIJDW-MRXNPFEDSA-N 1 3 358.530 2.605 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000171633209 510264705 /nfs/dbraw/zinc/26/47/05/510264705.db2.gz DLXFKKLMVUIJDW-MRXNPFEDSA-N 1 3 358.530 2.605 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000177856194 510291035 /nfs/dbraw/zinc/29/10/35/510291035.db2.gz STLLHBZKVOWMPD-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000177856194 510291037 /nfs/dbraw/zinc/29/10/37/510291037.db2.gz STLLHBZKVOWMPD-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000246130769 510312480 /nfs/dbraw/zinc/31/24/80/510312480.db2.gz IXRGLKUZMUHXMT-YZGWKJHDSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000246130769 510312484 /nfs/dbraw/zinc/31/24/84/510312484.db2.gz IXRGLKUZMUHXMT-YZGWKJHDSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)N(C)Cc1ccccc1 ZINC000171832695 510397883 /nfs/dbraw/zinc/39/78/83/510397883.db2.gz KIZLADIUOHYDRG-QGZVFWFLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CN1C1CC1 ZINC000246270806 510399228 /nfs/dbraw/zinc/39/92/28/510399228.db2.gz IXNNLFWXIHBKJN-QYZOEREBSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCN(CCc3ccccc3)C2)C[C@@H](C)O1 ZINC000246325493 510426865 /nfs/dbraw/zinc/42/68/65/510426865.db2.gz AWTKBTMIPCYXNH-SJBKTWHCSA-N 1 3 359.558 2.782 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000269502638 510438430 /nfs/dbraw/zinc/43/84/30/510438430.db2.gz MEDAUNQHNMSARV-NRFANRHFSA-N 1 3 366.509 2.853 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000246360986 510445963 /nfs/dbraw/zinc/44/59/63/510445963.db2.gz FGTVPWMRVCPJIH-PXNSSMCTSA-N 1 3 373.545 2.560 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000246360986 510445969 /nfs/dbraw/zinc/44/59/69/510445969.db2.gz FGTVPWMRVCPJIH-PXNSSMCTSA-N 1 3 373.545 2.560 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246395814 510465460 /nfs/dbraw/zinc/46/54/60/510465460.db2.gz CTYGSOVFRPWOCB-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246395814 510465464 /nfs/dbraw/zinc/46/54/64/510465464.db2.gz CTYGSOVFRPWOCB-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000178211499 510490248 /nfs/dbraw/zinc/49/02/48/510490248.db2.gz RNAJRVKXALLRHR-IBGZPJMESA-N 1 3 369.557 2.977 20 0 FFADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c2cccs2)CCO1 ZINC000246488478 510515165 /nfs/dbraw/zinc/51/51/65/510515165.db2.gz RTANUSRINFLEMG-CWQOZTLDSA-N 1 3 351.560 2.828 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000246490398 510517383 /nfs/dbraw/zinc/51/73/83/510517383.db2.gz WFTZTBVYHPDXQY-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000246490398 510517389 /nfs/dbraw/zinc/51/73/89/510517389.db2.gz WFTZTBVYHPDXQY-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC(CNCc2nccn2-c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000191216464 510552200 /nfs/dbraw/zinc/55/22/00/510552200.db2.gz MZONZBORLFVYMD-UHFFFAOYSA-N 1 3 367.541 2.912 20 0 FFADHO C[NH+]1CCC(CNCc2nccn2-c2ccccc2)(N2CCCCC2)CC1 ZINC000191216464 510552206 /nfs/dbraw/zinc/55/22/06/510552206.db2.gz MZONZBORLFVYMD-UHFFFAOYSA-N 1 3 367.541 2.912 20 0 FFADHO COc1ccc(COC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246571252 510563853 /nfs/dbraw/zinc/56/38/53/510563853.db2.gz LLIQAZGVBDNTFE-CZTZKLFOSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccc(COC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246571252 510563863 /nfs/dbraw/zinc/56/38/63/510563863.db2.gz LLIQAZGVBDNTFE-CZTZKLFOSA-N 1 3 374.525 2.521 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000246577714 510565551 /nfs/dbraw/zinc/56/55/51/510565551.db2.gz WMYPPNJZSDKHKY-IXDOHACOSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000246577714 510565559 /nfs/dbraw/zinc/56/55/59/510565559.db2.gz WMYPPNJZSDKHKY-IXDOHACOSA-N 1 3 364.559 2.867 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H](C[N@H+](C)CC)C3)c2)CC1 ZINC000184893604 510568778 /nfs/dbraw/zinc/56/87/78/510568778.db2.gz WDZUWZKDNUYOQM-SFHVURJKSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H](C[N@@H+](C)CC)C3)c2)CC1 ZINC000184893604 510568787 /nfs/dbraw/zinc/56/87/87/510568787.db2.gz WDZUWZKDNUYOQM-SFHVURJKSA-N 1 3 373.545 2.634 20 0 FFADHO CCN(CCNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000246600809 510578183 /nfs/dbraw/zinc/57/81/83/510578183.db2.gz BIBDCQHNTBSSSC-WGMWDUQUSA-N 1 3 372.557 2.927 20 0 FFADHO CCN(CCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000246600809 510578190 /nfs/dbraw/zinc/57/81/90/510578190.db2.gz BIBDCQHNTBSSSC-WGMWDUQUSA-N 1 3 372.557 2.927 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)Cc1ccccc1 ZINC000246745221 510649113 /nfs/dbraw/zinc/64/91/13/510649113.db2.gz YXUIUDKVZMTWQB-HLAWJBBLSA-N 1 3 374.573 2.921 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000185065257 510663964 /nfs/dbraw/zinc/66/39/64/510663964.db2.gz RXGUTTUMHZKWBY-INIZCTEOSA-N 1 3 350.532 2.621 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000172616016 510822544 /nfs/dbraw/zinc/82/25/44/510822544.db2.gz NIAUQWKFSBXXCT-GHTZIAJQSA-N 1 3 372.557 2.772 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000172616016 510822547 /nfs/dbraw/zinc/82/25/47/510822547.db2.gz NIAUQWKFSBXXCT-GHTZIAJQSA-N 1 3 372.557 2.772 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000247118020 510839151 /nfs/dbraw/zinc/83/91/51/510839151.db2.gz GHSXLEAWPPQOSM-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000247118020 510839152 /nfs/dbraw/zinc/83/91/52/510839152.db2.gz GHSXLEAWPPQOSM-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CCN1Cc1ccccc1 ZINC000282178924 510875314 /nfs/dbraw/zinc/87/53/14/510875314.db2.gz FNKPMNBYTRDEGR-TZIWHRDSSA-N 1 3 358.574 2.655 20 0 FFADHO Cn1cc(-c2ccc(CNC3CC[NH+](C4CCN(C)CC4)CC3)s2)cn1 ZINC000282368376 510948404 /nfs/dbraw/zinc/94/84/04/510948404.db2.gz YANHSQQCQNAEPD-UHFFFAOYSA-N 1 3 373.570 2.797 20 0 FFADHO COC[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)OCCc2ccccc21 ZINC000297477893 510961149 /nfs/dbraw/zinc/96/11/49/510961149.db2.gz RUSMIQRZUCLPQY-JOCHJYFZSA-N 1 3 367.493 2.755 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000297571152 510995225 /nfs/dbraw/zinc/99/52/25/510995225.db2.gz BVWCAJVODGGHKY-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccnn1CCN(C)C)c1ccccc1 ZINC000297585275 510999953 /nfs/dbraw/zinc/99/99/53/510999953.db2.gz YWTAUHVPUGSKDK-MRXNPFEDSA-N 1 3 372.517 2.696 20 0 FFADHO C[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000279271918 511024344 /nfs/dbraw/zinc/02/43/44/511024344.db2.gz WQYKVUYIPWMKPA-SFHVURJKSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CCN1 ZINC000333276251 511186517 /nfs/dbraw/zinc/18/65/17/511186517.db2.gz LLVGCOOKUPGINU-TWMKSMIVSA-N 1 3 355.482 2.714 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)CC2)nc(C)n1 ZINC000333339984 511210492 /nfs/dbraw/zinc/21/04/92/511210492.db2.gz XVKSQRYAJMPAHJ-HSALFYBXSA-N 1 3 357.546 2.963 20 0 FFADHO CN(c1ccc(NC(=O)CC2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000291476087 511212633 /nfs/dbraw/zinc/21/26/33/511212633.db2.gz MFXQDBVAYQDOOH-UHFFFAOYSA-N 1 3 358.530 2.887 20 0 FFADHO CN1CC=C(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000283091212 511231431 /nfs/dbraw/zinc/23/14/31/511231431.db2.gz YYWCMPJQTSZOBG-FQEVSTJZSA-N 1 3 370.541 2.848 20 0 FFADHO CN1CC=C(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000283091212 511231437 /nfs/dbraw/zinc/23/14/37/511231437.db2.gz YYWCMPJQTSZOBG-FQEVSTJZSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000333433360 511242563 /nfs/dbraw/zinc/24/25/63/511242563.db2.gz UZCMJBJRXWIEMV-RSRIQPTJSA-N 1 3 370.541 2.727 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000298576216 511334950 /nfs/dbraw/zinc/33/49/50/511334950.db2.gz HTVCPRZMAPFSNW-HXUWFJFHSA-N 1 3 358.530 2.996 20 0 FFADHO c1ccc([C@H](CN2CCOCC2)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298582668 511336838 /nfs/dbraw/zinc/33/68/38/511336838.db2.gz XXSJSWKTHSKHHV-QFIPXVFZSA-N 1 3 366.509 2.714 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000365245405 511340008 /nfs/dbraw/zinc/34/00/08/511340008.db2.gz WEDIDKLYJJDQGW-XMSQKQJNSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000365245405 511340012 /nfs/dbraw/zinc/34/00/12/511340012.db2.gz WEDIDKLYJJDQGW-XMSQKQJNSA-N 1 3 357.542 2.933 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363121462 511366249 /nfs/dbraw/zinc/36/62/49/511366249.db2.gz BOUSPQVCNXWNLV-SFHVURJKSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363121462 511366255 /nfs/dbraw/zinc/36/62/55/511366255.db2.gz BOUSPQVCNXWNLV-SFHVURJKSA-N 1 3 365.562 2.647 20 0 FFADHO CN1CC=C(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000272096018 511430546 /nfs/dbraw/zinc/43/05/46/511430546.db2.gz OEDLCSXFNBAYSF-UHFFFAOYSA-N 1 3 362.543 2.521 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C(C)(C)n1cncn1 ZINC000283978187 511564277 /nfs/dbraw/zinc/56/42/77/511564277.db2.gz JCKFDGKVNCUTCJ-MRXNPFEDSA-N 1 3 357.502 2.665 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000299399977 511622867 /nfs/dbraw/zinc/62/28/67/511622867.db2.gz SEGVIXBFHWKXPO-FUHWJXTLSA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000299399977 511622872 /nfs/dbraw/zinc/62/28/72/511622872.db2.gz SEGVIXBFHWKXPO-FUHWJXTLSA-N 1 3 365.493 2.881 20 0 FFADHO COc1ncc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000284393992 511707705 /nfs/dbraw/zinc/70/77/05/511707705.db2.gz PJABPTFCMUGIGH-AFAVFJNCSA-N 1 3 353.894 2.772 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000365889694 511711549 /nfs/dbraw/zinc/71/15/49/511711549.db2.gz UNEOBFOVLNRWQO-UHFFFAOYSA-N 1 3 355.526 2.904 20 0 FFADHO c1ccc(CN2CCO[C@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000312588472 511785849 /nfs/dbraw/zinc/78/58/49/511785849.db2.gz WVWNPLDXRJDWEX-JOCHJYFZSA-N 1 3 366.509 2.541 20 0 FFADHO COc1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc(OC)c1 ZINC000363887690 511831726 /nfs/dbraw/zinc/83/17/26/511831726.db2.gz LORMOPDUPXMNIB-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1(C)C ZINC000363888062 511832418 /nfs/dbraw/zinc/83/24/18/511832418.db2.gz VSJYFHDGUXBQBM-INIZCTEOSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363958043 511873703 /nfs/dbraw/zinc/87/37/03/511873703.db2.gz DZFUMFUKPSNXHG-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363958043 511873706 /nfs/dbraw/zinc/87/37/06/511873706.db2.gz DZFUMFUKPSNXHG-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN[C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000274644918 511897195 /nfs/dbraw/zinc/89/71/95/511897195.db2.gz LTKAAVFISHACLA-LEWJYISDSA-N 1 3 369.509 2.509 20 0 FFADHO COCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000293378047 511941869 /nfs/dbraw/zinc/94/18/69/511941869.db2.gz IFPQJGVVZSDZPS-QHAWAJNXSA-N 1 3 358.526 2.930 20 0 FFADHO COC[C@@H]1CCCCN(CC2(C[N@@H+]3CCCC[C@H](COC)C3)COC2)C1 ZINC000364150341 511985332 /nfs/dbraw/zinc/98/53/32/511985332.db2.gz NNYVGPNAUNEBQA-BGYRXZFFSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@@H]1CCCCN(CC2(C[N@H+]3CCCC[C@H](COC)C3)COC2)C1 ZINC000364150341 511985339 /nfs/dbraw/zinc/98/53/39/511985339.db2.gz NNYVGPNAUNEBQA-BGYRXZFFSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@@H]1CCCC[N@@H+](CC2(CN3CCCC[C@H](COC)C3)COC2)C1 ZINC000364150341 511985345 /nfs/dbraw/zinc/98/53/45/511985345.db2.gz NNYVGPNAUNEBQA-BGYRXZFFSA-N 1 3 368.562 2.500 20 0 FFADHO COC[C@@H]1CCCC[N@H+](CC2(CN3CCCC[C@H](COC)C3)COC2)C1 ZINC000364150341 511985352 /nfs/dbraw/zinc/98/53/52/511985352.db2.gz NNYVGPNAUNEBQA-BGYRXZFFSA-N 1 3 368.562 2.500 20 0 FFADHO COCCCN1CCC([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274960001 511999334 /nfs/dbraw/zinc/99/93/34/511999334.db2.gz WKMDSHJUOOODNO-FPOVZHCZSA-N 1 3 359.558 2.988 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000297140284 512034892 /nfs/dbraw/zinc/03/48/92/512034892.db2.gz SWBWPESLXGMVNR-SEJPIABJSA-N 1 3 370.541 2.884 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000297140284 512034894 /nfs/dbraw/zinc/03/48/94/512034894.db2.gz SWBWPESLXGMVNR-SEJPIABJSA-N 1 3 370.541 2.884 20 0 FFADHO C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000364238550 512037701 /nfs/dbraw/zinc/03/77/01/512037701.db2.gz KCFJYTFEFWCOKO-SFHVURJKSA-N 1 3 357.542 2.882 20 0 FFADHO CO[C@@]1(C)CCCN(CC2(C[N@@H+]3CCC[C@](C)(OC)CC3)COC2)CC1 ZINC000366467557 512038672 /nfs/dbraw/zinc/03/86/72/512038672.db2.gz AXQIVMKGZNFNRL-PMACEKPBSA-N 1 3 368.562 2.785 20 0 FFADHO CO[C@@]1(C)CCCN(CC2(C[N@H+]3CCC[C@](C)(OC)CC3)COC2)CC1 ZINC000366467557 512038674 /nfs/dbraw/zinc/03/86/74/512038674.db2.gz AXQIVMKGZNFNRL-PMACEKPBSA-N 1 3 368.562 2.785 20 0 FFADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000366549899 512082864 /nfs/dbraw/zinc/08/28/64/512082864.db2.gz GRHIYEZJQSOJBO-OAQYLSRUSA-N 1 3 371.525 2.656 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367408733 512485828 /nfs/dbraw/zinc/48/58/28/512485828.db2.gz YKWNJQKAAASYAA-RXVVDRJESA-N 1 3 359.489 2.640 20 0 FFADHO CSCC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)N(C)C ZINC000367479600 512521923 /nfs/dbraw/zinc/52/19/23/512521923.db2.gz DKPXNGLNSQGRKC-NEWSRXKRSA-N 1 3 363.571 2.697 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000373933018 512578999 /nfs/dbraw/zinc/57/89/99/512578999.db2.gz JQPQEGBNRSNKGC-HSALFYBXSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000373933018 512579004 /nfs/dbraw/zinc/57/90/04/512579004.db2.gz JQPQEGBNRSNKGC-HSALFYBXSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000374004139 512616305 /nfs/dbraw/zinc/61/63/05/512616305.db2.gz VPGDTLKSHBXUQG-DENIHFKCSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000374004139 512616311 /nfs/dbraw/zinc/61/63/11/512616311.db2.gz VPGDTLKSHBXUQG-DENIHFKCSA-N 1 3 370.541 2.682 20 0 FFADHO OC[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC000367904318 512716086 /nfs/dbraw/zinc/71/60/86/512716086.db2.gz QEENIVAXDOGIED-YUMYIRISSA-N 1 3 351.494 2.943 20 0 FFADHO OC[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC000367904318 512716090 /nfs/dbraw/zinc/71/60/90/512716090.db2.gz QEENIVAXDOGIED-YUMYIRISSA-N 1 3 351.494 2.943 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000367965360 512744400 /nfs/dbraw/zinc/74/44/00/512744400.db2.gz SLVNUIFRBSSFJT-UHFFFAOYSA-N 1 3 372.557 2.991 20 0 FFADHO C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411720145 512778219 /nfs/dbraw/zinc/77/82/19/512778219.db2.gz PKMZAXKHAPLMIN-SIKLNZKXSA-N 1 3 357.542 2.968 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c2ccccc2C1 ZINC000378500141 512792367 /nfs/dbraw/zinc/79/23/67/512792367.db2.gz WAUMMRHUTSBWCH-SPEDKVCISA-N 1 3 373.541 2.959 20 0 FFADHO C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411759260 512797273 /nfs/dbraw/zinc/79/72/73/512797273.db2.gz VRDCROFEGKWTAX-DENIHFKCSA-N 1 3 357.542 2.968 20 0 FFADHO COc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000368114366 512808124 /nfs/dbraw/zinc/80/81/24/512808124.db2.gz XPALOERZMPLKFJ-HBMCJLEFSA-N 1 3 371.525 2.584 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(F)cc1 ZINC000388345626 512894996 /nfs/dbraw/zinc/89/49/96/512894996.db2.gz ZLJMFFBOUYLOHQ-AZUAARDMSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(F)cc1 ZINC000388345626 512894999 /nfs/dbraw/zinc/89/49/99/512894999.db2.gz ZLJMFFBOUYLOHQ-AZUAARDMSA-N 1 3 358.457 2.677 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000368520591 512985866 /nfs/dbraw/zinc/98/58/66/512985866.db2.gz WWKXWVFZVCZOBT-VXKWHMMOSA-N 1 3 359.558 2.991 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000368520591 512985869 /nfs/dbraw/zinc/98/58/69/512985869.db2.gz WWKXWVFZVCZOBT-VXKWHMMOSA-N 1 3 359.558 2.991 20 0 FFADHO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1OC ZINC000370624030 513020094 /nfs/dbraw/zinc/02/00/94/513020094.db2.gz FXAVQBHWAWGREH-IRXDYDNUSA-N 1 3 361.530 2.831 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376971219 513072337 /nfs/dbraw/zinc/07/23/37/513072337.db2.gz GWIQCNOBAMUQHQ-UYSNPLJNSA-N 1 3 361.452 2.782 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@H]1C[NH3+] ZINC000417685829 513161235 /nfs/dbraw/zinc/16/12/35/513161235.db2.gz POPOACXVBMSXNR-OALUTQOASA-N 1 3 358.530 2.592 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417693219 513166980 /nfs/dbraw/zinc/16/69/80/513166980.db2.gz ZGPFQGWJWNRYOR-RTBURBONSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(F)c(CN[C@@H](C)Cn2cccn2)c1 ZINC000450380448 513167655 /nfs/dbraw/zinc/16/76/55/513167655.db2.gz RTSOCGFFJYJTEO-SJORKVTESA-N 1 3 370.476 2.575 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417729381 513183794 /nfs/dbraw/zinc/18/37/94/513183794.db2.gz CBEUWOKBNQFGAX-INMHGKMJSA-N 1 3 352.548 2.804 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000417827257 513224360 /nfs/dbraw/zinc/22/43/60/513224360.db2.gz PIKXHVLTMZCIAU-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446287008 513227748 /nfs/dbraw/zinc/22/77/48/513227748.db2.gz GMXUWXMVFCTAPR-NNMXDRDESA-N 1 3 373.541 2.677 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000417843015 513232910 /nfs/dbraw/zinc/23/29/10/513232910.db2.gz QBJZIMDNVRHZEB-LSTHTHJFSA-N 1 3 358.530 2.856 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000428963432 513235145 /nfs/dbraw/zinc/23/51/45/513235145.db2.gz MORUJOWTEHMDHU-QRQLOZEOSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000428963432 513235146 /nfs/dbraw/zinc/23/51/46/513235146.db2.gz MORUJOWTEHMDHU-QRQLOZEOSA-N 1 3 356.514 2.575 20 0 FFADHO FC(F)C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000421374925 513240769 /nfs/dbraw/zinc/24/07/69/513240769.db2.gz PKWXYGPCZFFZER-LJQANCHMSA-N 1 3 367.484 2.769 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440146662 513259088 /nfs/dbraw/zinc/25/90/88/513259088.db2.gz OKEGBTHFUNZBPA-IBGZPJMESA-N 1 3 359.514 2.650 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440146662 513259090 /nfs/dbraw/zinc/25/90/90/513259090.db2.gz OKEGBTHFUNZBPA-IBGZPJMESA-N 1 3 359.514 2.650 20 0 FFADHO O=C(CNC1(c2ccc(F)cc2)CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000440260616 513282664 /nfs/dbraw/zinc/28/26/64/513282664.db2.gz OKXJVQMJKKILSR-UHFFFAOYSA-N 1 3 359.489 2.928 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000418007261 513332147 /nfs/dbraw/zinc/33/21/47/513332147.db2.gz FYEDPYBPQLQZMC-XLIONFOSSA-N 1 3 358.530 2.538 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[NH+](CC)CC ZINC000429331535 513343434 /nfs/dbraw/zinc/34/34/34/513343434.db2.gz RIZPEJHBOIASHZ-WOJBJXKFSA-N 1 3 361.530 2.514 20 0 FFADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418106417 513374794 /nfs/dbraw/zinc/37/47/94/513374794.db2.gz NCLCLNIBBGIQAA-HXUWFJFHSA-N 1 3 370.541 2.684 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418151953 513392469 /nfs/dbraw/zinc/39/24/69/513392469.db2.gz GHXUGCZHKAEEIY-UHOSZYNNSA-N 1 3 358.530 2.666 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCc3ccc([C@@H](C)[NH3+])cc3)cc2)CC1 ZINC000429510103 513396685 /nfs/dbraw/zinc/39/66/85/513396685.db2.gz RWCGPTNICXVUPN-QGZVFWFLSA-N 1 3 366.509 2.778 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000440771447 513401599 /nfs/dbraw/zinc/40/15/99/513401599.db2.gz NSBHJMSEBJFWLQ-NSISKUIASA-N 1 3 370.541 2.748 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000440771447 513401604 /nfs/dbraw/zinc/40/16/04/513401604.db2.gz NSBHJMSEBJFWLQ-NSISKUIASA-N 1 3 370.541 2.748 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)cc1 ZINC000418188834 513413338 /nfs/dbraw/zinc/41/33/38/513413338.db2.gz UTQNKIHZLPLFSF-NXHRZFHOSA-N 1 3 364.921 2.726 20 0 FFADHO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415810251 513431541 /nfs/dbraw/zinc/43/15/41/513431541.db2.gz VONSCZMZNCGPJB-CYBMUJFWSA-N 1 3 368.909 2.790 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000418236479 513435858 /nfs/dbraw/zinc/43/58/58/513435858.db2.gz BNSHYZFLCIVSCD-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO COC1([C@H](C)[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCOCC1 ZINC000421859539 513453062 /nfs/dbraw/zinc/45/30/62/513453062.db2.gz FTRHFJJHJIXMIO-IRXDYDNUSA-N 1 3 350.503 2.862 20 0 FFADHO [NH3+]CCNC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418295731 513454450 /nfs/dbraw/zinc/45/44/50/513454450.db2.gz KIJPUVVNWIWXLC-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418299623 513456073 /nfs/dbraw/zinc/45/60/73/513456073.db2.gz TWPBHZMIPMSIDI-LJQANCHMSA-N 1 3 373.545 2.739 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000418339856 513470975 /nfs/dbraw/zinc/47/09/75/513470975.db2.gz BXHHGNGEGXFBJH-HXUWFJFHSA-N 1 3 352.482 2.912 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418355329 513480810 /nfs/dbraw/zinc/48/08/10/513480810.db2.gz WYOWPRZUYDKDLH-QWFCFKBJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000418402097 513495944 /nfs/dbraw/zinc/49/59/44/513495944.db2.gz AXWSOZPCNZWVHF-HOJAQTOUSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc4c(c3F)CCNC4)C2)CC1 ZINC000415954835 513498389 /nfs/dbraw/zinc/49/83/89/513498389.db2.gz LBEVWGVCADLJOA-MRXNPFEDSA-N 1 3 360.477 2.667 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418411400 513498726 /nfs/dbraw/zinc/49/87/26/513498726.db2.gz PHJSDZFXOSVYJI-VAMGGRTRSA-N 1 3 373.545 2.595 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418415641 513499961 /nfs/dbraw/zinc/49/99/61/513499961.db2.gz SSBTTYPJLREGEH-QAPCUYQASA-N 1 3 368.472 2.556 20 0 FFADHO CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1F)CCNC2)[NH+](C)C ZINC000415963893 513504569 /nfs/dbraw/zinc/50/45/69/513504569.db2.gz WLKNTXKMFCNIQE-KRWDZBQOSA-N 1 3 350.482 2.959 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCCN(C)Cc2ccco2)cc1 ZINC000418464692 513522491 /nfs/dbraw/zinc/52/24/91/513522491.db2.gz PWHHOUKITCLZPH-INIZCTEOSA-N 1 3 358.486 2.963 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ncccc1CN)C1CC1 ZINC000416001842 513531195 /nfs/dbraw/zinc/53/11/95/513531195.db2.gz ASPBDIWEMZHPLB-SFHVURJKSA-N 1 3 353.470 2.572 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ncccc1CN)C1CC1 ZINC000416001842 513531205 /nfs/dbraw/zinc/53/12/05/513531205.db2.gz ASPBDIWEMZHPLB-SFHVURJKSA-N 1 3 353.470 2.572 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000430030844 513532173 /nfs/dbraw/zinc/53/21/73/513532173.db2.gz WLDSZQIZLWFRQM-FPOVZHCZSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000430030844 513532182 /nfs/dbraw/zinc/53/21/82/513532182.db2.gz WLDSZQIZLWFRQM-FPOVZHCZSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H](C[NH3+])NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418516951 513541745 /nfs/dbraw/zinc/54/17/45/513541745.db2.gz UNYSRLFNRHLOAO-APWZRJJASA-N 1 3 358.530 2.666 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441378602 513555898 /nfs/dbraw/zinc/55/58/98/513555898.db2.gz DSJAIWQPVFWRLM-DFEOGRTESA-N 1 3 350.551 2.811 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418590399 513568575 /nfs/dbraw/zinc/56/85/75/513568575.db2.gz BMSKGMNMONITFC-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000418642543 513588896 /nfs/dbraw/zinc/58/88/96/513588896.db2.gz ASNOUAJVNVQYQP-ICSRJNTNSA-N 1 3 358.530 2.622 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416134714 513589923 /nfs/dbraw/zinc/58/99/23/513589923.db2.gz PENFDUJYJZEAOF-LEWJYISDSA-N 1 3 353.510 2.969 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418666819 513602998 /nfs/dbraw/zinc/60/29/98/513602998.db2.gz DMPDWWWSVRQBJO-WIYYLYMNSA-N 1 3 358.530 2.812 20 0 FFADHO N[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000418669217 513603491 /nfs/dbraw/zinc/60/34/91/513603491.db2.gz JFNUDBCWBWQNDM-XUVXKRRUSA-N 1 3 352.482 2.603 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686332 513612449 /nfs/dbraw/zinc/61/24/49/513612449.db2.gz OXYNCJPQNZGWSQ-RBUKOAKNSA-N 1 3 372.538 2.577 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N(C)C[C@@H]3CCCN3C)CC2)CC1 ZINC000422190247 513627216 /nfs/dbraw/zinc/62/72/16/513627216.db2.gz WPKXZPFLKVUCSG-ACBHZAAOSA-N 1 3 350.551 2.765 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000447967273 513639983 /nfs/dbraw/zinc/63/99/83/513639983.db2.gz VGDNXJFDJCVYDV-SFHVURJKSA-N 1 3 350.551 2.813 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418794174 513660243 /nfs/dbraw/zinc/66/02/43/513660243.db2.gz PEAIFJFXIPREFR-GBESFXJTSA-N 1 3 350.551 2.528 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418807039 513662411 /nfs/dbraw/zinc/66/24/11/513662411.db2.gz YVHINDPRNRBOCK-VAMGGRTRSA-N 1 3 358.530 2.668 20 0 FFADHO C[C@H]1CN(C(=O)CCN2CCc3ccccc3C2)CC[N@@H+](C2CCC2)C1 ZINC000416238741 513666662 /nfs/dbraw/zinc/66/66/62/513666662.db2.gz IWXUDDFCWVELQG-GOSISDBHSA-N 1 3 355.526 2.768 20 0 FFADHO C[C@H]1CN(C(=O)CCN2CCc3ccccc3C2)CC[N@H+](C2CCC2)C1 ZINC000416238741 513666670 /nfs/dbraw/zinc/66/66/70/513666670.db2.gz IWXUDDFCWVELQG-GOSISDBHSA-N 1 3 355.526 2.768 20 0 FFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000416238195 513666810 /nfs/dbraw/zinc/66/68/10/513666810.db2.gz HIKUUVGWRVOHRZ-UEXGIBASSA-N 1 3 355.526 2.624 20 0 FFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CCN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000416238195 513666815 /nfs/dbraw/zinc/66/68/15/513666815.db2.gz HIKUUVGWRVOHRZ-UEXGIBASSA-N 1 3 355.526 2.624 20 0 FFADHO C[C@@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000435753798 513678287 /nfs/dbraw/zinc/67/82/87/513678287.db2.gz SWWHHKKZAYDXRH-GHTZIAJQSA-N 1 3 357.542 2.930 20 0 FFADHO [NH3+]CCCOC1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430582329 513694547 /nfs/dbraw/zinc/69/45/47/513694547.db2.gz PVYGCXNYOOUBSY-UHFFFAOYSA-N 1 3 364.877 2.762 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430682718 513721817 /nfs/dbraw/zinc/72/18/17/513721817.db2.gz UJZCLJYQICTFQG-UXHICEINSA-N 1 3 359.514 2.880 20 0 FFADHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000442879830 513802168 /nfs/dbraw/zinc/80/21/68/513802168.db2.gz WMELNMXXYDZTQA-SFHVURJKSA-N 1 3 360.502 2.846 20 0 FFADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058061 513857603 /nfs/dbraw/zinc/85/76/03/513857603.db2.gz IZGCTGGMPMYHLC-FXAWDEMLSA-N 1 3 359.514 2.810 20 0 FFADHO c1cc(C[NH2+]C2CCN(c3ccncc3)CC2)cc(CN2CCOCC2)c1 ZINC000436469049 513861685 /nfs/dbraw/zinc/86/16/85/513861685.db2.gz SRUJNKICJJJHSU-UHFFFAOYSA-N 1 3 366.509 2.672 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCCN(C)C)cc2F)CC1 ZINC000413905814 513875134 /nfs/dbraw/zinc/87/51/34/513875134.db2.gz XPGQOHIRYWZAMT-UHFFFAOYSA-N 1 3 351.466 2.825 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(CN2CCOCC2)c1 ZINC000422688846 513904178 /nfs/dbraw/zinc/90/41/78/513904178.db2.gz DFTBIZXQOIMKCN-PGRDOPGGSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000422688846 513904181 /nfs/dbraw/zinc/90/41/81/513904181.db2.gz DFTBIZXQOIMKCN-PGRDOPGGSA-N 1 3 353.510 2.567 20 0 FFADHO c1ccc(C[NH+]2CCCCCC2)c(CN[C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422704698 513908570 /nfs/dbraw/zinc/90/85/70/513908570.db2.gz AMJFMJYHIGFCSW-FGZHOGPDSA-N 1 3 357.542 2.919 20 0 FFADHO COCCN(C)CCOc1cccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422713232 513910192 /nfs/dbraw/zinc/91/01/92/513910192.db2.gz PMNOEMYHBADXEY-YADHBBJMSA-N 1 3 369.509 2.878 20 0 FFADHO OC1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422741081 513919467 /nfs/dbraw/zinc/91/94/67/513919467.db2.gz NTKDOXIORFHAGX-BHDDXSALSA-N 1 3 357.542 2.654 20 0 FFADHO c1cc2c(s1)CCN(CCN[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422740979 513919749 /nfs/dbraw/zinc/91/97/49/513919749.db2.gz ONUXXUKDHADTTI-NQIIRXRSSA-N 1 3 369.534 2.952 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422750813 513922196 /nfs/dbraw/zinc/92/21/96/513922196.db2.gz BTBASFAQIQSZMM-QVKFZJNVSA-N 1 3 372.488 2.712 20 0 FFADHO CN(CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422766249 513925929 /nfs/dbraw/zinc/92/59/29/513925929.db2.gz RBXKDFSJMCPHQJ-UNMCSNQZSA-N 1 3 351.494 2.964 20 0 FFADHO Brc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422768777 513927669 /nfs/dbraw/zinc/92/76/69/513927669.db2.gz UXZSOLDDGAMXIA-BRWVUGGUSA-N 1 3 353.304 2.738 20 0 FFADHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422781633 513930847 /nfs/dbraw/zinc/93/08/47/513930847.db2.gz LVFFSLUYUOVEIG-YUMYIRISSA-N 1 3 357.542 2.788 20 0 FFADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422832654 513945030 /nfs/dbraw/zinc/94/50/30/513945030.db2.gz LILVIECMWIKSPP-ARFHVFGLSA-N 1 3 356.436 3.413 20 0 FFADHO CCN1CCN(c2ccc(CN[C@@H](C)C[C@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000422875157 513960149 /nfs/dbraw/zinc/96/01/49/513960149.db2.gz CCHZEHBOOILLAU-AZUAARDMSA-N 1 3 359.562 2.624 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COc1cccc(C(F)(F)F)c1 ZINC000422906772 513971530 /nfs/dbraw/zinc/97/15/30/513971530.db2.gz VRZUIPNUNWGTQL-NRSFXHEJSA-N 1 3 372.431 2.955 20 0 FFADHO Cc1ccoc1C(=O)NCCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422927599 513978565 /nfs/dbraw/zinc/97/85/65/513978565.db2.gz ZERIXJZXRNKIAD-UWJYYQICSA-N 1 3 369.465 2.553 20 0 FFADHO Fc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000422937823 513983643 /nfs/dbraw/zinc/98/36/43/513983643.db2.gz OYVBFLGLWYJQDI-RRQGHBQHSA-N 1 3 371.294 2.877 20 0 FFADHO CC(C)(CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000416837654 513993414 /nfs/dbraw/zinc/99/34/14/513993414.db2.gz XPWOJXWETRWJFT-ZWKOTPCHSA-N 1 3 350.551 2.815 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000431762897 513994271 /nfs/dbraw/zinc/99/42/71/513994271.db2.gz SQERMTNKSKXBOL-NRFANRHFSA-N 1 3 369.509 2.936 20 0 FFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1OC ZINC000414179913 513999923 /nfs/dbraw/zinc/99/99/23/513999923.db2.gz AYVQSOZNPLAUFB-IBGZPJMESA-N 1 3 361.530 2.533 20 0 FFADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)[C@@H](C)C2 ZINC000414181700 514000902 /nfs/dbraw/zinc/00/09/02/514000902.db2.gz CHJCRAVEGNNMAE-GHTZIAJQSA-N 1 3 357.542 2.615 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)N(C)C)cc1 ZINC000416850486 514002049 /nfs/dbraw/zinc/00/20/49/514002049.db2.gz ZPEVHFOBVKNUHE-LJQANCHMSA-N 1 3 358.530 2.637 20 0 FFADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414192661 514005046 /nfs/dbraw/zinc/00/50/46/514005046.db2.gz MCRGGEUBDAFOHZ-SFHVURJKSA-N 1 3 363.521 2.533 20 0 FFADHO CN(C)[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)Cc1ccccc1 ZINC000416853816 514004977 /nfs/dbraw/zinc/00/49/77/514004977.db2.gz UQUOZULCRITKQZ-NRFANRHFSA-N 1 3 368.525 2.720 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N2CCCC2)c1 ZINC000416861097 514010763 /nfs/dbraw/zinc/01/07/63/514010763.db2.gz WMIRXRLTTHCIBP-HKUYNNGSSA-N 1 3 362.518 2.505 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031212 514011997 /nfs/dbraw/zinc/01/19/97/514011997.db2.gz WVIKERVMQZBZBK-DZJJNUFASA-N 1 3 369.912 2.814 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031212 514012002 /nfs/dbraw/zinc/01/20/02/514012002.db2.gz WVIKERVMQZBZBK-DZJJNUFASA-N 1 3 369.912 2.814 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031215 514012263 /nfs/dbraw/zinc/01/22/63/514012263.db2.gz WVIKERVMQZBZBK-GOYXDOSHSA-N 1 3 369.912 2.814 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031215 514012269 /nfs/dbraw/zinc/01/22/69/514012269.db2.gz WVIKERVMQZBZBK-GOYXDOSHSA-N 1 3 369.912 2.814 20 0 FFADHO N[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000416885937 514023312 /nfs/dbraw/zinc/02/33/12/514023312.db2.gz FAJJREDWDUDMJW-HXUWFJFHSA-N 1 3 352.482 2.782 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423077272 514031099 /nfs/dbraw/zinc/03/10/99/514031099.db2.gz STXASMDBCILXRZ-UAGQMJEPSA-N 1 3 355.320 2.850 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414284135 514033203 /nfs/dbraw/zinc/03/32/03/514033203.db2.gz KDLGGEAPMIDLBA-AWEZNQCLSA-N 1 3 373.950 2.589 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414284135 514033209 /nfs/dbraw/zinc/03/32/09/514033209.db2.gz KDLGGEAPMIDLBA-AWEZNQCLSA-N 1 3 373.950 2.589 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1cccc(OC)c1 ZINC000416905613 514037093 /nfs/dbraw/zinc/03/70/93/514037093.db2.gz GKCDHBMVICEWCQ-VDZJLULYSA-N 1 3 362.518 2.518 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416903594 514037307 /nfs/dbraw/zinc/03/73/07/514037307.db2.gz CKRNQVZPFFNSPO-SFHVURJKSA-N 1 3 362.518 2.519 20 0 FFADHO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426769999 514038274 /nfs/dbraw/zinc/03/82/74/514038274.db2.gz NWEHTXOETSAZNV-GUDVDZBRSA-N 1 3 365.562 2.599 20 0 FFADHO FC(F)(F)COc1cccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423106304 514044644 /nfs/dbraw/zinc/04/46/44/514044644.db2.gz ZOKCYQCOUWLLEP-RCCFBDPRSA-N 1 3 372.431 2.917 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C(C)(C)C)CC2)CC1 ZINC000431944453 514047992 /nfs/dbraw/zinc/04/79/92/514047992.db2.gz YGYQEPMZHWBDQB-UHFFFAOYSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@](CO)(CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423115322 514048090 /nfs/dbraw/zinc/04/80/90/514048090.db2.gz XUCDZNMRWJTHQD-CEMLEFRQSA-N 1 3 352.478 2.782 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](COC)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000423119426 514048820 /nfs/dbraw/zinc/04/88/20/514048820.db2.gz CIEFNBWCCUUCAY-YOEHRIQHSA-N 1 3 368.905 2.939 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423149035 514060392 /nfs/dbraw/zinc/06/03/92/514060392.db2.gz ADZPISQEAJGCCP-JKIFEVAISA-N 1 3 373.310 2.846 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449076885 514061993 /nfs/dbraw/zinc/06/19/93/514061993.db2.gz ITUQQPIFXZVWPN-ZDUSSCGKSA-N 1 3 358.299 2.704 20 0 FFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449084122 514064995 /nfs/dbraw/zinc/06/49/95/514064995.db2.gz WPVQDAVJEICCTG-KSZLIROESA-N 1 3 362.514 2.832 20 0 FFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449084122 514064998 /nfs/dbraw/zinc/06/49/98/514064998.db2.gz WPVQDAVJEICCTG-KSZLIROESA-N 1 3 362.514 2.832 20 0 FFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(F)cc(Br)c1 ZINC000423172478 514069362 /nfs/dbraw/zinc/06/93/62/514069362.db2.gz TWISVECMEODGJK-AJSFGMTHSA-N 1 3 371.294 2.612 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000416970593 514075779 /nfs/dbraw/zinc/07/57/79/514075779.db2.gz FIPHODOPNJVGFU-YLJYHZDGSA-N 1 3 358.530 2.871 20 0 FFADHO COCCN1CCC([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449108820 514076059 /nfs/dbraw/zinc/07/60/59/514076059.db2.gz VZOUWXMUGXEZMP-IBGZPJMESA-N 1 3 359.558 2.782 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000416969342 514076268 /nfs/dbraw/zinc/07/62/68/514076268.db2.gz BOLHGLJOYJZGJE-UZLBHIALSA-N 1 3 358.530 2.728 20 0 FFADHO COCCN1CCC[C@@H]1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449115974 514078793 /nfs/dbraw/zinc/07/87/93/514078793.db2.gz JLKDSTCTBBUBMW-SIKLNZKXSA-N 1 3 359.558 2.782 20 0 FFADHO COCCN1CCC[C@@H]1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449115974 514078795 /nfs/dbraw/zinc/07/87/95/514078795.db2.gz JLKDSTCTBBUBMW-SIKLNZKXSA-N 1 3 359.558 2.782 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]21 ZINC000420302036 514079872 /nfs/dbraw/zinc/07/98/72/514079872.db2.gz FRDDAWUEWAELST-HQJJXPTPSA-N 1 3 363.452 2.515 20 0 FFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cc2cc(Br)ccc2o1 ZINC000423211044 514080543 /nfs/dbraw/zinc/08/05/43/514080543.db2.gz XTIOQEJHNKBHNF-GFCCVEGCSA-N 1 3 352.276 2.751 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000420302281 514080465 /nfs/dbraw/zinc/08/04/65/514080465.db2.gz JLYHHHXNXXHEHU-XLIONFOSSA-N 1 3 373.541 2.708 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449133391 514085485 /nfs/dbraw/zinc/08/54/85/514085485.db2.gz YGJVCTJMZWKJCP-AWEZNQCLSA-N 1 3 372.326 2.951 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[C@@H](C)CN1 ZINC000416977989 514086564 /nfs/dbraw/zinc/08/65/64/514086564.db2.gz QNDXEDJJKKKKKM-SQNIBIBYSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@@H](C)CN1 ZINC000416977989 514086571 /nfs/dbraw/zinc/08/65/71/514086571.db2.gz QNDXEDJJKKKKKM-SQNIBIBYSA-N 1 3 358.530 2.953 20 0 FFADHO CCCCN(C)C(=O)C1CC[NH+](C[C@H](CN)c2ccc(OC)cc2)CC1 ZINC000420317105 514091137 /nfs/dbraw/zinc/09/11/37/514091137.db2.gz NDKMMORQTTUMMV-IBGZPJMESA-N 1 3 361.530 2.708 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321607 514092115 /nfs/dbraw/zinc/09/21/15/514092115.db2.gz DAEIAHLVLZNARB-OKZBNKHCSA-N 1 3 359.514 2.536 20 0 FFADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335399 514098883 /nfs/dbraw/zinc/09/88/83/514098883.db2.gz HHMOOHUJOJDQCO-ZIAGYGMSSA-N 1 3 355.935 2.681 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000423340943 514114165 /nfs/dbraw/zinc/11/41/65/514114165.db2.gz JREODXMRWWEQIE-LMMKCTJWSA-N 1 3 361.530 2.718 20 0 FFADHO COc1cc(NC(=O)CCN[C@H]2CC[NH2+]CC2(C)C)c(OC)cc1Cl ZINC000420372547 514114170 /nfs/dbraw/zinc/11/41/70/514114170.db2.gz YEYXEEDADVWXMD-INIZCTEOSA-N 1 3 369.893 2.664 20 0 FFADHO COc1cc(NC(=O)CC[NH2+][C@H]2CCNCC2(C)C)c(OC)cc1Cl ZINC000420372547 514114172 /nfs/dbraw/zinc/11/41/72/514114172.db2.gz YEYXEEDADVWXMD-INIZCTEOSA-N 1 3 369.893 2.664 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000420380912 514117116 /nfs/dbraw/zinc/11/71/16/514117116.db2.gz XACVSAPMWQDJJX-KKXDTOCCSA-N 1 3 350.409 2.870 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)[C@H]1CC[NH2+]C1 ZINC000417013259 514117927 /nfs/dbraw/zinc/11/79/27/514117927.db2.gz YMXDATFAVPQKRU-IRXDYDNUSA-N 1 3 352.548 2.915 20 0 FFADHO N[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)C1CCC1 ZINC000423378992 514122340 /nfs/dbraw/zinc/12/23/40/514122340.db2.gz COWHQNBBYWJJKQ-IBGZPJMESA-N 1 3 358.486 2.567 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)CC1 ZINC000417018279 514122778 /nfs/dbraw/zinc/12/27/78/514122778.db2.gz PVPOARPHRRCOAR-OAQYLSRUSA-N 1 3 372.557 2.854 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420389504 514124762 /nfs/dbraw/zinc/12/47/62/514124762.db2.gz XPQJBWICHXQMLP-HXUWFJFHSA-N 1 3 354.502 2.586 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000449251109 514130993 /nfs/dbraw/zinc/13/09/93/514130993.db2.gz QUKSQTXPMFGGBO-LEWJYISDSA-N 1 3 372.601 2.698 20 0 FFADHO COc1cc(NC(=O)CCN2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OC)cc1Cl ZINC000420397345 514131858 /nfs/dbraw/zinc/13/18/58/514131858.db2.gz FYECZLLTHWVWDA-OLZOCXBDSA-N 1 3 369.893 2.603 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000417033838 514131997 /nfs/dbraw/zinc/13/19/97/514131997.db2.gz FYHYDXOWTPAORW-FXAWDEMLSA-N 1 3 358.530 2.685 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000417033838 514132002 /nfs/dbraw/zinc/13/20/02/514132002.db2.gz FYHYDXOWTPAORW-FXAWDEMLSA-N 1 3 358.530 2.685 20 0 FFADHO COC[C@]1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCCN1 ZINC000423411082 514132862 /nfs/dbraw/zinc/13/28/62/514132862.db2.gz DZNTXPWBKVGNRH-WMLDXEAASA-N 1 3 353.304 2.665 20 0 FFADHO CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423460267 514146950 /nfs/dbraw/zinc/14/69/50/514146950.db2.gz RUMHKQUSUQYINA-SCTDSRPQSA-N 1 3 351.441 2.652 20 0 FFADHO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000423471618 514148015 /nfs/dbraw/zinc/14/80/15/514148015.db2.gz MPRRLEBPDQNAOW-INWMFGNUSA-N 1 3 373.950 2.806 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000417086284 514161203 /nfs/dbraw/zinc/16/12/03/514161203.db2.gz DVGYJVDSZWQAAJ-SJLPKXTDSA-N 1 3 358.530 2.592 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417090687 514162670 /nfs/dbraw/zinc/16/26/70/514162670.db2.gz XWAKULDQFJTGSA-PWRODBHTSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000417088429 514162852 /nfs/dbraw/zinc/16/28/52/514162852.db2.gz KNVHUSGKCBIFDY-APWZRJJASA-N 1 3 358.530 2.592 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]1SC ZINC000414527041 514163609 /nfs/dbraw/zinc/16/36/09/514163609.db2.gz QIOUWZICHATAQR-GUDVDZBRSA-N 1 3 364.555 2.512 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)N(C)C)cc1 ZINC000449330366 514170703 /nfs/dbraw/zinc/17/07/03/514170703.db2.gz TZWZMOCPUZYQOI-RBBKRZOGSA-N 1 3 351.494 2.645 20 0 FFADHO C[C@@H](NC1(CNC(=O)C[C@H]2CCC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000427293668 514173499 /nfs/dbraw/zinc/17/34/99/514173499.db2.gz DMCWIJPPVXAYDL-MOPGFXCFSA-N 1 3 373.541 2.782 20 0 FFADHO C[C@H](NC1(CNC(=O)C[C@@H]2CCC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000427293670 514173849 /nfs/dbraw/zinc/17/38/49/514173849.db2.gz DMCWIJPPVXAYDL-RBUKOAKNSA-N 1 3 373.541 2.782 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000423778636 514226481 /nfs/dbraw/zinc/22/64/81/514226481.db2.gz HMGKFKZZIXBYCZ-UYAOXDASSA-N 1 3 354.498 2.546 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423787096 514227336 /nfs/dbraw/zinc/22/73/36/514227336.db2.gz WEXPRLLBMMKPQQ-JTVBLWFRSA-N 1 3 355.526 2.777 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449514381 514235104 /nfs/dbraw/zinc/23/51/04/514235104.db2.gz YBODNOUPJOCECU-RBBKRZOGSA-N 1 3 357.542 2.715 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c2ccccc2)CC1 ZINC000417220144 514241020 /nfs/dbraw/zinc/24/10/20/514241020.db2.gz XKJRWQDFKRMEHR-DFQSSKMNSA-N 1 3 358.530 2.838 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417222860 514242528 /nfs/dbraw/zinc/24/25/28/514242528.db2.gz QXGHMSBJTQXILD-DUXKGJEZSA-N 1 3 370.541 2.853 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCN(C)Cc1ccccc1 ZINC000417228806 514246149 /nfs/dbraw/zinc/24/61/49/514246149.db2.gz GQQFHUYAUDWUGQ-HXUWFJFHSA-N 1 3 354.498 2.680 20 0 FFADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000414732493 514261539 /nfs/dbraw/zinc/26/15/39/514261539.db2.gz BUPYHWLHQMYZJD-QUCCMNQESA-N 1 3 363.521 2.912 20 0 FFADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000414732493 514261546 /nfs/dbraw/zinc/26/15/46/514261546.db2.gz BUPYHWLHQMYZJD-QUCCMNQESA-N 1 3 363.521 2.912 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000432850871 514301441 /nfs/dbraw/zinc/30/14/41/514301441.db2.gz HYCAPXPVNBDFJU-UHFFFAOYSA-N 1 3 367.559 2.681 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000420793946 514302176 /nfs/dbraw/zinc/30/21/76/514302176.db2.gz JWDKXISGZZDIKG-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000420793946 514302182 /nfs/dbraw/zinc/30/21/82/514302182.db2.gz JWDKXISGZZDIKG-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414810438 514303411 /nfs/dbraw/zinc/30/34/11/514303411.db2.gz OAJZZNZJEONILX-CQSZACIVSA-N 1 3 360.502 2.859 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414814518 514306598 /nfs/dbraw/zinc/30/65/98/514306598.db2.gz NYJBAFSONGMGSE-GJZGRUSLSA-N 1 3 369.465 3.000 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N2CCCC2)cc1 ZINC000417354514 514307628 /nfs/dbraw/zinc/30/76/28/514307628.db2.gz MASPKXGBPMOBHO-FPOVZHCZSA-N 1 3 356.514 2.527 20 0 FFADHO O=C(Nc1cccc(CNCCN2CC[NH2+]CC2)c1)c1ccccc1Cl ZINC000414864353 514330249 /nfs/dbraw/zinc/33/02/49/514330249.db2.gz JSTRDFVJXXOTIE-UHFFFAOYSA-N 1 3 372.900 2.587 20 0 FFADHO FC(F)(F)Oc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989700 514389869 /nfs/dbraw/zinc/38/98/69/514389869.db2.gz QVVVJIQHLRTWFI-CYBMUJFWSA-N 1 3 371.325 2.511 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414994732 514391982 /nfs/dbraw/zinc/39/19/82/514391982.db2.gz VEQFSDQJOZKLEJ-WBVHZDCISA-N 1 3 373.394 2.581 20 0 FFADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1OC(F)F ZINC000415091350 514438878 /nfs/dbraw/zinc/43/88/78/514438878.db2.gz YYRHGYAWQXANJN-HIFRSBDPSA-N 1 3 355.429 2.526 20 0 FFADHO C[C@H](OCCCNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289023 514447281 /nfs/dbraw/zinc/44/72/81/514447281.db2.gz LHCAAJDCTWWPBE-OALUTQOASA-N 1 3 373.541 2.735 20 0 FFADHO COc1ccc([C@@H](NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)C(C)C)cc1 ZINC000424291400 514448352 /nfs/dbraw/zinc/44/83/52/514448352.db2.gz NTQRNYGRSJNFKA-UWJYYQICSA-N 1 3 373.541 2.973 20 0 FFADHO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCN(C(=O)CN)C3)s2)cc1 ZINC000415114767 514449627 /nfs/dbraw/zinc/44/96/27/514449627.db2.gz UAWYZOFOEYZOJO-OAHLLOKOSA-N 1 3 373.522 2.711 20 0 FFADHO CC(C)C[C@@H](N)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000415118184 514450845 /nfs/dbraw/zinc/45/08/45/514450845.db2.gz WBWFGIXJKGLABH-MBOZVWFJSA-N 1 3 355.486 2.859 20 0 FFADHO CC(C)C[C@@H](N)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000415118184 514450847 /nfs/dbraw/zinc/45/08/47/514450847.db2.gz WBWFGIXJKGLABH-MBOZVWFJSA-N 1 3 355.486 2.859 20 0 FFADHO CCOCc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415120894 514452604 /nfs/dbraw/zinc/45/26/04/514452604.db2.gz GMZMHZPSNZJILU-FPOVZHCZSA-N 1 3 362.514 2.950 20 0 FFADHO CCOCc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000415120895 514452966 /nfs/dbraw/zinc/45/29/66/514452966.db2.gz GMZMHZPSNZJILU-PZJWPPBQSA-N 1 3 362.514 2.950 20 0 FFADHO [NH3+]CC1(O)CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000415140657 514464786 /nfs/dbraw/zinc/46/47/86/514464786.db2.gz LGGCZNNRKREFLY-UHFFFAOYSA-N 1 3 373.884 2.878 20 0 FFADHO CC(C)[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[NH+]1CCCC1 ZINC000465897067 514514323 /nfs/dbraw/zinc/51/43/23/514514323.db2.gz FGTIRCHKGIYTLI-HXUWFJFHSA-N 1 3 372.557 2.505 20 0 FFADHO CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475009579 514521221 /nfs/dbraw/zinc/52/12/21/514521221.db2.gz KVAGWXQYKRFASG-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475018031 514524805 /nfs/dbraw/zinc/52/48/05/514524805.db2.gz YDHQHSQBUCLHLM-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)([NH+](C)C)C1 ZINC000458004042 514525551 /nfs/dbraw/zinc/52/55/51/514525551.db2.gz NWASNPONMQKPEU-RLLQIKCJSA-N 1 3 350.551 2.624 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466011683 514538390 /nfs/dbraw/zinc/53/83/90/514538390.db2.gz CIRFWYMOOXTBHA-UXHICEINSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466011683 514538396 /nfs/dbraw/zinc/53/83/96/514538396.db2.gz CIRFWYMOOXTBHA-UXHICEINSA-N 1 3 370.541 2.777 20 0 FFADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453258614 514580604 /nfs/dbraw/zinc/58/06/04/514580604.db2.gz HYUSDUTWGKOWLX-ODAXIHTASA-N 1 3 371.569 2.866 20 0 FFADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453264219 514582940 /nfs/dbraw/zinc/58/29/40/514582940.db2.gz MHHRXOLSCYNLAO-YUMYIRISSA-N 1 3 357.542 2.618 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000466227970 514583375 /nfs/dbraw/zinc/58/33/75/514583375.db2.gz UDXMPOFSHGFVMK-JXFKEZNVSA-N 1 3 356.514 2.564 20 0 FFADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453274546 514586276 /nfs/dbraw/zinc/58/62/76/514586276.db2.gz WKUODBSWEOUODN-ODAXIHTASA-N 1 3 371.569 2.866 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453274546 514586278 /nfs/dbraw/zinc/58/62/78/514586278.db2.gz WKUODBSWEOUODN-ODAXIHTASA-N 1 3 371.569 2.866 20 0 FFADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453274546 514586281 /nfs/dbraw/zinc/58/62/81/514586281.db2.gz WKUODBSWEOUODN-ODAXIHTASA-N 1 3 371.569 2.866 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000466282783 514596551 /nfs/dbraw/zinc/59/65/51/514596551.db2.gz IPHHHXLNOQTWHW-UWJYYQICSA-N 1 3 370.541 2.681 20 0 FFADHO COc1cc(C)c(C[C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1OC ZINC000502289874 514606112 /nfs/dbraw/zinc/60/61/12/514606112.db2.gz XJHSXZBDTSNQRI-PKOBYXMFSA-N 1 3 364.530 2.626 20 0 FFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470810369 514620170 /nfs/dbraw/zinc/62/01/70/514620170.db2.gz ISOFJGZCCSEVGO-ULQDDVLXSA-N 1 3 354.539 2.862 20 0 FFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470810369 514620173 /nfs/dbraw/zinc/62/01/73/514620173.db2.gz ISOFJGZCCSEVGO-ULQDDVLXSA-N 1 3 354.539 2.862 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000497743460 514620368 /nfs/dbraw/zinc/62/03/68/514620368.db2.gz JBIBYGUZGBDIJW-ICSRJNTNSA-N 1 3 374.573 2.648 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000479537779 514621364 /nfs/dbraw/zinc/62/13/64/514621364.db2.gz OSIXQDJUHVGPBM-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000479537779 514621365 /nfs/dbraw/zinc/62/13/65/514621365.db2.gz OSIXQDJUHVGPBM-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC(=O)N1 ZINC000453425073 514629301 /nfs/dbraw/zinc/62/93/01/514629301.db2.gz NXBXIOXAVIKZHI-NXLVEIQXSA-N 1 3 355.526 2.936 20 0 FFADHO O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@@H]2CCCCN12 ZINC000453456055 514650176 /nfs/dbraw/zinc/65/01/76/514650176.db2.gz VAEPIDHMLHGNGF-FDKIHUSFSA-N 1 3 353.510 2.640 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000488969505 514654714 /nfs/dbraw/zinc/65/47/14/514654714.db2.gz ASEGZKZQDSVBLP-XBMUEBEBSA-N 1 3 367.578 2.845 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000488969505 514654722 /nfs/dbraw/zinc/65/47/22/514654722.db2.gz ASEGZKZQDSVBLP-XBMUEBEBSA-N 1 3 367.578 2.845 20 0 FFADHO Cc1cc(Br)c(CNCCN2CCC([NH+](C)C)CC2)s1 ZINC000453565351 514689546 /nfs/dbraw/zinc/68/95/46/514689546.db2.gz IVZSYEQBQRDJJY-UHFFFAOYSA-N 1 3 360.365 2.935 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000458330816 514714934 /nfs/dbraw/zinc/71/49/34/514714934.db2.gz MOZXAESEVYTQHW-KRWDZBQOSA-N 1 3 366.575 2.942 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000458330816 514714949 /nfs/dbraw/zinc/71/49/49/514714949.db2.gz MOZXAESEVYTQHW-KRWDZBQOSA-N 1 3 366.575 2.942 20 0 FFADHO CCN1CCN(c2ccccc2CNC2CC([NH+]3CCCCC3)C2)CC1 ZINC000475563497 514717301 /nfs/dbraw/zinc/71/73/01/514717301.db2.gz GJRSMOCFODKCNQ-UHFFFAOYSA-N 1 3 356.558 2.935 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000458348620 514723194 /nfs/dbraw/zinc/72/31/94/514723194.db2.gz YQODPANLASUIOE-GOSISDBHSA-N 1 3 364.559 2.652 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000479790251 514725016 /nfs/dbraw/zinc/72/50/16/514725016.db2.gz RMEVDZZUYQJGNK-CRAIPNDOSA-N 1 3 350.482 2.602 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000466679018 514727327 /nfs/dbraw/zinc/72/73/27/514727327.db2.gz BAASAFFZFRNJIR-WOJBJXKFSA-N 1 3 372.557 2.578 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+](C)C2CCN(OC)CC2)CC1 ZINC000453618845 514729734 /nfs/dbraw/zinc/72/97/34/514729734.db2.gz KBDQEEZLHYJDLR-UHFFFAOYSA-N 1 3 360.546 2.676 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C2CCN(OC)CC2)CC1 ZINC000453618845 514729735 /nfs/dbraw/zinc/72/97/35/514729735.db2.gz KBDQEEZLHYJDLR-UHFFFAOYSA-N 1 3 360.546 2.676 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000508479328 514793235 /nfs/dbraw/zinc/79/32/35/514793235.db2.gz WQRAHGRLMGPRMW-IBGZPJMESA-N 1 3 361.530 2.850 20 0 FFADHO COc1cccc(CN(CCN(C)C)C(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000508479328 514793243 /nfs/dbraw/zinc/79/32/43/514793243.db2.gz WQRAHGRLMGPRMW-IBGZPJMESA-N 1 3 361.530 2.850 20 0 FFADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502849750 514808892 /nfs/dbraw/zinc/80/88/92/514808892.db2.gz YTZZZHVJNQIJTD-QGZVFWFLSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502849750 514808902 /nfs/dbraw/zinc/80/89/02/514808902.db2.gz YTZZZHVJNQIJTD-QGZVFWFLSA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000480050413 514824192 /nfs/dbraw/zinc/82/41/92/514824192.db2.gz VTMLIQKDACCYEL-CEMLEFRQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480050413 514824194 /nfs/dbraw/zinc/82/41/94/514824194.db2.gz VTMLIQKDACCYEL-CEMLEFRQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480050413 514824196 /nfs/dbraw/zinc/82/41/96/514824196.db2.gz VTMLIQKDACCYEL-CEMLEFRQSA-N 1 3 359.558 2.843 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484968821 514859791 /nfs/dbraw/zinc/85/97/91/514859791.db2.gz FTQZHFGIYYGBAY-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484968821 514859804 /nfs/dbraw/zinc/85/98/04/514859804.db2.gz FTQZHFGIYYGBAY-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000489488110 514867827 /nfs/dbraw/zinc/86/78/27/514867827.db2.gz WEULXEBWBUZEFB-SYYKKAFVSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000489488110 514867837 /nfs/dbraw/zinc/86/78/37/514867837.db2.gz WEULXEBWBUZEFB-SYYKKAFVSA-N 1 3 370.541 2.634 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN(C[C@@H](C)O)C[C@@H]3C)c2cc1OCC ZINC000480183314 514868937 /nfs/dbraw/zinc/86/89/37/514868937.db2.gz POLYFDDJGIQWKL-JKSUJKDBSA-N 1 3 373.497 2.924 20 0 FFADHO CN(CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000476038434 514892781 /nfs/dbraw/zinc/89/27/81/514892781.db2.gz FPOOGWKTBBGWKM-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO CN(CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000476038434 514892791 /nfs/dbraw/zinc/89/27/91/514892791.db2.gz FPOOGWKTBBGWKM-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CN1Cc1ccccc1 ZINC000458561554 514902717 /nfs/dbraw/zinc/90/27/17/514902717.db2.gz RAHDEOMGSPHDCO-UZKOGDIHSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CN1Cc1ccccc1 ZINC000458561554 514902719 /nfs/dbraw/zinc/90/27/19/514902719.db2.gz RAHDEOMGSPHDCO-UZKOGDIHSA-N 1 3 370.541 2.777 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508867032 514928138 /nfs/dbraw/zinc/92/81/38/514928138.db2.gz RYHQAJIOUVDNFW-RSPOEFSDSA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508867032 514928151 /nfs/dbraw/zinc/92/81/51/514928151.db2.gz RYHQAJIOUVDNFW-RSPOEFSDSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000503149342 514935191 /nfs/dbraw/zinc/93/51/91/514935191.db2.gz BMIGOBRTIXVOMW-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000503149342 514935200 /nfs/dbraw/zinc/93/52/00/514935200.db2.gz BMIGOBRTIXVOMW-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000485169751 514942790 /nfs/dbraw/zinc/94/27/90/514942790.db2.gz JPJQHRAQLHIOCU-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476231333 514958395 /nfs/dbraw/zinc/95/83/95/514958395.db2.gz LNTXKZRJCJGLBY-FQEVSTJZSA-N 1 3 370.541 2.701 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476231333 514958408 /nfs/dbraw/zinc/95/84/08/514958408.db2.gz LNTXKZRJCJGLBY-FQEVSTJZSA-N 1 3 370.541 2.701 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471656000 514974711 /nfs/dbraw/zinc/97/47/11/514974711.db2.gz QBUVUKJCJMFKCA-HBMCJLEFSA-N 1 3 372.557 2.736 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471656000 514974719 /nfs/dbraw/zinc/97/47/19/514974719.db2.gz QBUVUKJCJMFKCA-HBMCJLEFSA-N 1 3 372.557 2.736 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccc(F)cc1 ZINC000503376430 515014706 /nfs/dbraw/zinc/01/47/06/515014706.db2.gz SLZDOASUWDNLPK-ROUUACIJSA-N 1 3 364.509 2.848 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccc(F)cc1 ZINC000503376430 515014711 /nfs/dbraw/zinc/01/47/11/515014711.db2.gz SLZDOASUWDNLPK-ROUUACIJSA-N 1 3 364.509 2.848 20 0 FFADHO FC(F)(F)c1ccccc1OCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489889249 515015290 /nfs/dbraw/zinc/01/52/90/515015290.db2.gz ZPOWNFKGHMRWMD-INIZCTEOSA-N 1 3 371.447 2.844 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000489939651 515041499 /nfs/dbraw/zinc/04/14/99/515041499.db2.gz ROMTWKQSKNXECE-DZFGPLHGSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000489939651 515041508 /nfs/dbraw/zinc/04/15/08/515041508.db2.gz ROMTWKQSKNXECE-DZFGPLHGSA-N 1 3 370.541 2.948 20 0 FFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCCN3C3CCOCC3)ccc21 ZINC000456275934 515064246 /nfs/dbraw/zinc/06/42/46/515064246.db2.gz NKNOBPUWWWFPSQ-PMACEKPBSA-N 1 3 357.498 2.817 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccco1 ZINC000458767952 515077118 /nfs/dbraw/zinc/07/71/18/515077118.db2.gz LVUORJBWXXMIIM-XYJFISCASA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccco1 ZINC000458767952 515077125 /nfs/dbraw/zinc/07/71/25/515077125.db2.gz LVUORJBWXXMIIM-XYJFISCASA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1ccco1 ZINC000458767952 515077132 /nfs/dbraw/zinc/07/71/32/515077132.db2.gz LVUORJBWXXMIIM-XYJFISCASA-N 1 3 362.518 2.835 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)CC[NH+]2CCCC2)N(C)C)cc1 ZINC000458886266 515173128 /nfs/dbraw/zinc/17/31/28/515173128.db2.gz HNINCGGFFLTHNL-SFHVURJKSA-N 1 3 364.559 2.748 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@@H](C)C1 ZINC000481021524 515177177 /nfs/dbraw/zinc/17/71/77/515177177.db2.gz JRVCVHJPWYFRQR-HKUYNNGSSA-N 1 3 365.587 2.833 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCc3sccc3C2)[C@@H](C)C1 ZINC000481021524 515177184 /nfs/dbraw/zinc/17/71/84/515177184.db2.gz JRVCVHJPWYFRQR-HKUYNNGSSA-N 1 3 365.587 2.833 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000458941785 515217121 /nfs/dbraw/zinc/21/71/21/515217121.db2.gz UIDKTLKRIPTBAM-GBESFXJTSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000458941787 515217870 /nfs/dbraw/zinc/21/78/70/515217870.db2.gz UIDKTLKRIPTBAM-QYZOEREBSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccco1 ZINC000509580696 515243455 /nfs/dbraw/zinc/24/34/55/515243455.db2.gz ZLFUZOSAWCARKI-WNRNVDISSA-N 1 3 362.518 2.977 20 0 FFADHO COC[C@@H](O)CN[C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000462801354 515251380 /nfs/dbraw/zinc/25/13/80/515251380.db2.gz GNMXDIUKCSAMTO-PMACEKPBSA-N 1 3 352.494 2.976 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000504289602 515262670 /nfs/dbraw/zinc/26/26/70/515262670.db2.gz NLWKRWLAGYXMFJ-ZCNNSNEGSA-N 1 3 358.530 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000504289602 515262678 /nfs/dbraw/zinc/26/26/78/515262678.db2.gz NLWKRWLAGYXMFJ-ZCNNSNEGSA-N 1 3 358.530 2.778 20 0 FFADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000462891011 515285952 /nfs/dbraw/zinc/28/59/52/515285952.db2.gz POJCMCHSRDERNL-YSIASYRMSA-N 1 3 359.489 2.542 20 0 FFADHO CCN(CCC[NH+](CC)CC)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000473000668 515474574 /nfs/dbraw/zinc/47/45/74/515474574.db2.gz ODFVRGDENRQBQC-UHFFFAOYSA-N 1 3 353.551 2.602 20 0 FFADHO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000510306742 515499279 /nfs/dbraw/zinc/49/92/79/515499279.db2.gz UWTFETAIRVRDSY-ZWKOTPCHSA-N 1 3 365.468 2.744 20 0 FFADHO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000510306742 515499286 /nfs/dbraw/zinc/49/92/86/515499286.db2.gz UWTFETAIRVRDSY-ZWKOTPCHSA-N 1 3 365.468 2.744 20 0 FFADHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000481978195 515534088 /nfs/dbraw/zinc/53/40/88/515534088.db2.gz ZWSRLCIUFYGEMN-HNNXBMFYSA-N 1 3 353.532 2.973 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CCc2ccccc2C1 ZINC000510497864 515558168 /nfs/dbraw/zinc/55/81/68/515558168.db2.gz AJEPRTSTPKLAHG-LAUBAEHRSA-N 1 3 370.541 2.773 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CCc2ccccc2C1 ZINC000510497864 515558177 /nfs/dbraw/zinc/55/81/77/515558177.db2.gz AJEPRTSTPKLAHG-LAUBAEHRSA-N 1 3 370.541 2.773 20 0 FFADHO CN(C)C1(CNC(=O)NCCCCC[NH+]2CCCC2)Cc2ccccc2C1 ZINC000454540546 515562653 /nfs/dbraw/zinc/56/26/53/515562653.db2.gz GDMCZOQSVCPGLE-UHFFFAOYSA-N 1 3 372.557 2.651 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000510779106 515666953 /nfs/dbraw/zinc/66/69/53/515666953.db2.gz JUPFJAWWUOEVPV-IAGOWNOFSA-N 1 3 362.518 2.869 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000510779106 515666961 /nfs/dbraw/zinc/66/69/61/515666961.db2.gz JUPFJAWWUOEVPV-IAGOWNOFSA-N 1 3 362.518 2.869 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478023495 515670460 /nfs/dbraw/zinc/67/04/60/515670460.db2.gz CWACGFNMFNTFBK-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000478023495 515670465 /nfs/dbraw/zinc/67/04/65/515670465.db2.gz CWACGFNMFNTFBK-PZJWPPBQSA-N 1 3 372.557 2.928 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNc1ccccc1C ZINC000505802736 515679215 /nfs/dbraw/zinc/67/92/15/515679215.db2.gz RHJYJMIUBBVVDU-LJQANCHMSA-N 1 3 360.546 2.672 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNc1ccccc1C ZINC000505802736 515679227 /nfs/dbraw/zinc/67/92/27/515679227.db2.gz RHJYJMIUBBVVDU-LJQANCHMSA-N 1 3 360.546 2.672 20 0 FFADHO CC[N@H+](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000510829241 515683044 /nfs/dbraw/zinc/68/30/44/515683044.db2.gz UQHRHCDDHNZAFU-SFHVURJKSA-N 1 3 365.468 2.744 20 0 FFADHO CC[N@@H+](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000510829241 515683053 /nfs/dbraw/zinc/68/30/53/515683053.db2.gz UQHRHCDDHNZAFU-SFHVURJKSA-N 1 3 365.468 2.744 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[N@H+](C)C3CC3)cc2)CC1 ZINC000457197659 515718991 /nfs/dbraw/zinc/71/89/91/515718991.db2.gz IRKDOZCNJSWVAZ-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000457197659 515719001 /nfs/dbraw/zinc/71/90/01/515719001.db2.gz IRKDOZCNJSWVAZ-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)CC1 ZINC000459648761 515721324 /nfs/dbraw/zinc/72/13/24/515721324.db2.gz CIHCAPOIDGKOGI-FPOVZHCZSA-N 1 3 355.526 2.829 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)CC1 ZINC000459648761 515721334 /nfs/dbraw/zinc/72/13/34/515721334.db2.gz CIHCAPOIDGKOGI-FPOVZHCZSA-N 1 3 355.526 2.829 20 0 FFADHO C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000510994693 515740523 /nfs/dbraw/zinc/74/05/23/515740523.db2.gz FUMNQTOZFHKFHD-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000482885481 515835843 /nfs/dbraw/zinc/83/58/43/515835843.db2.gz DONJWBVNDGSNPM-AZUAARDMSA-N 1 3 360.546 2.723 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)ccn1 ZINC000474018830 515843521 /nfs/dbraw/zinc/84/35/21/515843521.db2.gz ALISNGQPGQPQEB-ILWGZMRPSA-N 1 3 372.557 2.779 20 0 FFADHO CCCN(CC[NH+](C)C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511439509 515905282 /nfs/dbraw/zinc/90/52/82/515905282.db2.gz YBUZQMDOGNAWKW-GOSISDBHSA-N 1 3 367.484 2.944 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000457483841 515906334 /nfs/dbraw/zinc/90/63/34/515906334.db2.gz QOEWLGSEGFJWAP-WOJBJXKFSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000457483841 515906341 /nfs/dbraw/zinc/90/63/41/515906341.db2.gz QOEWLGSEGFJWAP-WOJBJXKFSA-N 1 3 360.546 2.976 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000511516737 515931402 /nfs/dbraw/zinc/93/14/02/515931402.db2.gz VXWGTTDILYNXIQ-IEBWSBKVSA-N 1 3 360.546 2.927 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)C1CC1 ZINC000478841197 515980851 /nfs/dbraw/zinc/98/08/51/515980851.db2.gz UCAXNBSIFYPNEK-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000501149454 516000925 /nfs/dbraw/zinc/00/09/25/516000925.db2.gz FCYNDWTXAGQPGU-LJQANCHMSA-N 1 3 354.583 2.972 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1)[C@H]1CCC[NH2+]1 ZINC000469863274 516004324 /nfs/dbraw/zinc/00/43/24/516004324.db2.gz OXGOFGTXNNFDAE-RDTXWAMCSA-N 1 3 359.445 2.652 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[NH2+]1 ZINC000478962286 516019594 /nfs/dbraw/zinc/01/95/94/516019594.db2.gz ONYPYUJKJJJZPQ-XKGZKEIXSA-N 1 3 357.542 2.964 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457653408 516042518 /nfs/dbraw/zinc/04/25/18/516042518.db2.gz HRJMRDNCJFWQDZ-QGZVFWFLSA-N 1 3 370.541 2.988 20 0 FFADHO CC[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000457704327 516080859 /nfs/dbraw/zinc/08/08/59/516080859.db2.gz XSIMQBVRXNJYSA-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000457704327 516080868 /nfs/dbraw/zinc/08/08/68/516080868.db2.gz XSIMQBVRXNJYSA-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C1CC1 ZINC000460256766 516088611 /nfs/dbraw/zinc/08/86/11/516088611.db2.gz ILRRJJDCPHEQAT-YZGWKJHDSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C1CC1 ZINC000460256766 516088618 /nfs/dbraw/zinc/08/86/18/516088618.db2.gz ILRRJJDCPHEQAT-YZGWKJHDSA-N 1 3 370.541 2.633 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000501410732 516095897 /nfs/dbraw/zinc/09/58/97/516095897.db2.gz ZSBJURZVKVFSKL-PWRODBHTSA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000501410732 516095905 /nfs/dbraw/zinc/09/59/05/516095905.db2.gz ZSBJURZVKVFSKL-PWRODBHTSA-N 1 3 370.541 2.749 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457733762 516106108 /nfs/dbraw/zinc/10/61/08/516106108.db2.gz KCPXYBHRIBCZOH-ROUUACIJSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457733762 516106114 /nfs/dbraw/zinc/10/61/14/516106114.db2.gz KCPXYBHRIBCZOH-ROUUACIJSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457756839 516124944 /nfs/dbraw/zinc/12/49/44/516124944.db2.gz ZCYQPISHJLULGG-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457756839 516124954 /nfs/dbraw/zinc/12/49/54/516124954.db2.gz ZCYQPISHJLULGG-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474646855 516137277 /nfs/dbraw/zinc/13/72/77/516137277.db2.gz XQNOEZFQQAVSRN-WYNBGMTASA-N 1 3 370.541 2.823 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465441474 516154014 /nfs/dbraw/zinc/15/40/14/516154014.db2.gz SNZSVKWKFBELJW-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465441474 516154023 /nfs/dbraw/zinc/15/40/23/516154023.db2.gz SNZSVKWKFBELJW-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO CC[N@H+](CCNC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000483678594 516166857 /nfs/dbraw/zinc/16/68/57/516166857.db2.gz CQZBJGVGAXLKEY-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO CC[N@@H+](CCNC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000483678594 516166862 /nfs/dbraw/zinc/16/68/62/516166862.db2.gz CQZBJGVGAXLKEY-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000483691966 516173329 /nfs/dbraw/zinc/17/33/29/516173329.db2.gz VJFXELNKAAEKIV-NJDAHSKKSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000483691966 516173338 /nfs/dbraw/zinc/17/33/38/516173338.db2.gz VJFXELNKAAEKIV-NJDAHSKKSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000483691965 516175308 /nfs/dbraw/zinc/17/53/08/516175308.db2.gz VJFXELNKAAEKIV-HKBOAZHASA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000483691965 516175318 /nfs/dbraw/zinc/17/53/18/516175318.db2.gz VJFXELNKAAEKIV-HKBOAZHASA-N 1 3 370.541 2.633 20 0 FFADHO CCN1CCN(c2ccccc2CN2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000512294796 516228451 /nfs/dbraw/zinc/22/84/51/516228451.db2.gz YJTMOCBYCUJZHF-NRFANRHFSA-N 1 3 356.558 2.889 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000465701467 516232956 /nfs/dbraw/zinc/23/29/56/516232956.db2.gz YJGYCQYVGCSCAA-FQEVSTJZSA-N 1 3 372.557 2.949 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457935606 516239793 /nfs/dbraw/zinc/23/97/93/516239793.db2.gz NTXCNEUFEPDPFY-IAGOWNOFSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457935606 516239803 /nfs/dbraw/zinc/23/98/03/516239803.db2.gz NTXCNEUFEPDPFY-IAGOWNOFSA-N 1 3 366.575 2.942 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483904553 516241242 /nfs/dbraw/zinc/24/12/42/516241242.db2.gz GFUGRMAEXHOEFW-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO CCCc1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN2CC)s1 ZINC000460910610 516281570 /nfs/dbraw/zinc/28/15/70/516281570.db2.gz JCUXAHYLEZKMOG-HNNXBMFYSA-N 1 3 352.548 2.584 20 0 FFADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000460930623 516285122 /nfs/dbraw/zinc/28/51/22/516285122.db2.gz ACFQQZZTGXNXIK-AWEZNQCLSA-N 1 3 365.468 2.743 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000488793704 516310620 /nfs/dbraw/zinc/31/06/20/516310620.db2.gz ITSAHFFTVJAPQP-ZWKOTPCHSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000488793704 516310622 /nfs/dbraw/zinc/31/06/22/516310622.db2.gz ITSAHFFTVJAPQP-ZWKOTPCHSA-N 1 3 350.551 2.623 20 0 FFADHO Cc1ccccc1C[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000528315890 516341964 /nfs/dbraw/zinc/34/19/64/516341964.db2.gz OMSYUSVEKUHABR-SFHVURJKSA-N 1 3 357.542 2.848 20 0 FFADHO CN(C)C1(CNC(=O)NCC2(C[NH+](C)C)CCCC2)Cc2ccccc2C1 ZINC000543698719 516375018 /nfs/dbraw/zinc/37/50/18/516375018.db2.gz XTKOVUCGQRJSLZ-UHFFFAOYSA-N 1 3 372.557 2.507 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)N2CCCC2)cc1 ZINC000561151660 516410516 /nfs/dbraw/zinc/41/05/16/516410516.db2.gz OIQBNVYASKEDTJ-RBBKRZOGSA-N 1 3 370.541 2.917 20 0 FFADHO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000543762745 516418228 /nfs/dbraw/zinc/41/82/28/516418228.db2.gz YAMURIYPSQLBMP-YWHRJQNKSA-N 1 3 355.526 2.921 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000561208487 516451336 /nfs/dbraw/zinc/45/13/36/516451336.db2.gz ILAVMIGAWUEING-AZUAARDMSA-N 1 3 373.545 2.847 20 0 FFADHO COc1ccc([C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)C2CC2)cc1 ZINC000540302198 516506193 /nfs/dbraw/zinc/50/61/93/516506193.db2.gz MMDPFJCTBSVAMJ-OAQYLSRUSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3ccnn3C)cc2)C[C@H]1C ZINC000540325732 516512240 /nfs/dbraw/zinc/51/22/40/516512240.db2.gz SKLJYLIPCRDLMQ-QZTJIDSGSA-N 1 3 356.514 2.719 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000523662032 516534789 /nfs/dbraw/zinc/53/47/89/516534789.db2.gz BWEADCGWTPVAAZ-NRFANRHFSA-N 1 3 370.541 2.628 20 0 FFADHO C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000518098311 516549558 /nfs/dbraw/zinc/54/95/58/516549558.db2.gz RUNAMDIZMYOFNJ-CEXWTWQISA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(-c2ccccc2)c1 ZINC000551149815 516582088 /nfs/dbraw/zinc/58/20/88/516582088.db2.gz ZMILYTMVSVXZAO-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(-c2ccccc2)c1 ZINC000551149815 516582090 /nfs/dbraw/zinc/58/20/90/516582090.db2.gz ZMILYTMVSVXZAO-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513352623 516583082 /nfs/dbraw/zinc/58/30/82/516583082.db2.gz CLNCJGWJZQGNOQ-DENIHFKCSA-N 1 3 367.541 2.624 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1COc2ccccc2C1 ZINC000551163683 516586575 /nfs/dbraw/zinc/58/65/75/516586575.db2.gz GNVXLLDBLLGPGC-LEWJYISDSA-N 1 3 352.478 2.737 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1COc2ccccc2C1 ZINC000551163683 516586586 /nfs/dbraw/zinc/58/65/86/516586586.db2.gz GNVXLLDBLLGPGC-LEWJYISDSA-N 1 3 352.478 2.737 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCN3CCC2CC3)[NH+](C)C)cc1 ZINC000513388748 516598546 /nfs/dbraw/zinc/59/85/46/516598546.db2.gz GCPBITJBRXFOAQ-NRFANRHFSA-N 1 3 372.557 2.977 20 0 FFADHO CC[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)N1CCc2ccccc2C1 ZINC000561486345 516611520 /nfs/dbraw/zinc/61/15/20/516611520.db2.gz LNQGBWABPOJVOQ-OAQYLSRUSA-N 1 3 372.557 2.854 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000528711417 516635017 /nfs/dbraw/zinc/63/50/17/516635017.db2.gz AHVAMFLGCADVQL-UHFFFAOYSA-N 1 3 358.486 2.697 20 0 FFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000518492130 516679055 /nfs/dbraw/zinc/67/90/55/516679055.db2.gz HDCFHJRRVUWEBN-AZUAARDMSA-N 1 3 358.461 2.934 20 0 FFADHO O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000518514655 516688060 /nfs/dbraw/zinc/68/80/60/516688060.db2.gz FZVXFCSTFAMJJF-YSIASYRMSA-N 1 3 371.525 2.897 20 0 FFADHO Cc1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n(C2CCN(C)CC2)n1 ZINC000558389262 516715094 /nfs/dbraw/zinc/71/50/94/516715094.db2.gz XUYMJXUVLZSVBL-JWTNVVGKSA-N 1 3 374.533 2.547 20 0 FFADHO Cc1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n(C2CCN(C)CC2)n1 ZINC000558389262 516715105 /nfs/dbraw/zinc/71/51/05/516715105.db2.gz XUYMJXUVLZSVBL-JWTNVVGKSA-N 1 3 374.533 2.547 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000524515188 516742002 /nfs/dbraw/zinc/74/20/02/516742002.db2.gz KIJRYJWKLHSVIY-PMACEKPBSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000524515188 516742010 /nfs/dbraw/zinc/74/20/10/516742010.db2.gz KIJRYJWKLHSVIY-PMACEKPBSA-N 1 3 358.530 2.695 20 0 FFADHO C[C@H](NC1(CNC(=O)CCCC[NH+](C)C)CCOCC1)c1ccccc1 ZINC000518814445 516786633 /nfs/dbraw/zinc/78/66/33/516786633.db2.gz FOCIWHZQPLCIQE-SFHVURJKSA-N 1 3 361.530 2.735 20 0 FFADHO CSC1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCN(C)CC1 ZINC000555162290 516811415 /nfs/dbraw/zinc/81/14/15/516811415.db2.gz GYYZSRCSMOWSPX-UHFFFAOYSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000544626671 516843601 /nfs/dbraw/zinc/84/36/01/516843601.db2.gz RFJSAVZAAYXOLZ-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000532232637 516866216 /nfs/dbraw/zinc/86/62/16/516866216.db2.gz SKQIYZLRGKXQNQ-QGZVFWFLSA-N 1 3 354.494 2.808 20 0 FFADHO COc1ccc([C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C)cc1 ZINC000524935268 516871271 /nfs/dbraw/zinc/87/12/71/516871271.db2.gz ZMIWNHJRZSQIHE-LJQANCHMSA-N 1 3 364.534 2.527 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000514168219 516887836 /nfs/dbraw/zinc/88/78/36/516887836.db2.gz WDBAHZHWOSRSES-YLJYHZDGSA-N 1 3 358.530 2.994 20 0 FFADHO Cc1ccccc1C[C@@H]1CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000514184235 516892583 /nfs/dbraw/zinc/89/25/83/516892583.db2.gz RVAWYVFTHVFXBI-NRFANRHFSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000514187981 516894263 /nfs/dbraw/zinc/89/42/63/516894263.db2.gz YTBCSXUNWIMGGK-JTJHWIPRSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000514187981 516894272 /nfs/dbraw/zinc/89/42/72/516894272.db2.gz YTBCSXUNWIMGGK-JTJHWIPRSA-N 1 3 372.557 2.927 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CNCc1c(Cl)cccc1N1CCOCC1 ZINC000555563705 516981700 /nfs/dbraw/zinc/98/17/00/516981700.db2.gz PYEOJJFMGKZIFT-INIZCTEOSA-N 1 3 369.937 2.623 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529301710 517063985 /nfs/dbraw/zinc/06/39/85/517063985.db2.gz VGKMSXMHEQSZEX-RDJZCZTQSA-N 1 3 362.543 2.544 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000537171849 517066649 /nfs/dbraw/zinc/06/66/49/517066649.db2.gz FQPDGSHCIBEXSA-UHFFFAOYSA-N 1 3 365.827 2.924 20 0 FFADHO c1ccc(CN2CC[C@@H]([NH2+]CCCCN3CCOCC3)CC23CC3)cc1 ZINC000519597337 517069267 /nfs/dbraw/zinc/06/92/67/517069267.db2.gz BNUGIAVIAIPWJS-OAQYLSRUSA-N 1 3 357.542 2.886 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000514854767 517093116 /nfs/dbraw/zinc/09/31/16/517093116.db2.gz LWULKLQUUMYGAX-FCEUIQTBSA-N 1 3 358.574 2.876 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000545205183 517102263 /nfs/dbraw/zinc/10/22/63/517102263.db2.gz QSBCZOBXISWITJ-ROUUACIJSA-N 1 3 367.578 2.750 20 0 FFADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc2c(c1)CNCC2 ZINC000519691582 517128035 /nfs/dbraw/zinc/12/80/35/517128035.db2.gz FBFZMRKEIMRLLH-UHFFFAOYSA-N 1 3 365.481 2.765 20 0 FFADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc2n[nH]cc21 ZINC000548735862 517180138 /nfs/dbraw/zinc/18/01/38/517180138.db2.gz ITNJGCMLLQDDFO-UHFFFAOYSA-N 1 3 370.501 2.551 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)C3([NH3+])CCCCC3)CC2)c1 ZINC000515081989 517205511 /nfs/dbraw/zinc/20/55/11/517205511.db2.gz RIWVEUHSFPPEEZ-UHFFFAOYSA-N 1 3 372.557 2.675 20 0 FFADHO CC[C@H](C)n1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C1CC1 ZINC000525890794 517220196 /nfs/dbraw/zinc/22/01/96/517220196.db2.gz SHJMCHILNMAAGT-HNNXBMFYSA-N 1 3 364.538 2.689 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000552445360 517262696 /nfs/dbraw/zinc/26/26/96/517262696.db2.gz MYDXSFLNJINLBD-NRFANRHFSA-N 1 3 355.526 2.910 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000552445360 517262698 /nfs/dbraw/zinc/26/26/98/517262698.db2.gz MYDXSFLNJINLBD-NRFANRHFSA-N 1 3 355.526 2.910 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000562795183 517407601 /nfs/dbraw/zinc/40/76/01/517407601.db2.gz FKKYJPVKMLASPJ-BBWFWOEESA-N 1 3 362.543 2.572 20 0 FFADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3ccn(C)n3)cc2)C[C@@H]1C ZINC000538122802 517472809 /nfs/dbraw/zinc/47/28/09/517472809.db2.gz RHHHHBXJOAAXEH-ROUUACIJSA-N 1 3 356.514 2.719 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3c3ccsc3)CC2)CC1 ZINC000530003384 517495129 /nfs/dbraw/zinc/49/51/29/517495129.db2.gz VYGJZZWGZDYRPX-RBUKOAKNSA-N 1 3 361.555 2.917 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CN1Cc1ccccc1 ZINC000516025919 517541354 /nfs/dbraw/zinc/54/13/54/517541354.db2.gz VWEMCRDSTVRCNA-CGBFIWBNSA-N 1 3 358.530 2.714 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000520881751 517541960 /nfs/dbraw/zinc/54/19/60/517541960.db2.gz CKYVYXXIJZCJRO-PCCBWWKXSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000520881751 517541964 /nfs/dbraw/zinc/54/19/64/517541964.db2.gz CKYVYXXIJZCJRO-PCCBWWKXSA-N 1 3 370.541 2.967 20 0 FFADHO COCCN1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000560028089 517542075 /nfs/dbraw/zinc/54/20/75/517542075.db2.gz PSRHEIMDTMWGBI-FQEVSTJZSA-N 1 3 359.514 2.513 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[NH+]1CCC(C)CC1 ZINC000520893852 517543681 /nfs/dbraw/zinc/54/36/81/517543681.db2.gz IACPIMNQRUCKMM-ICSRJNTNSA-N 1 3 360.546 2.579 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000553169826 517554893 /nfs/dbraw/zinc/55/48/93/517554893.db2.gz FIJUWELNYNONLQ-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000553169826 517554903 /nfs/dbraw/zinc/55/49/03/517554903.db2.gz FIJUWELNYNONLQ-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C1CC1 ZINC000520987635 517571670 /nfs/dbraw/zinc/57/16/70/517571670.db2.gz CIOOTFGHDFYHIQ-QFBILLFUSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)N(C)C1CC1 ZINC000520987635 517571676 /nfs/dbraw/zinc/57/16/76/517571676.db2.gz CIOOTFGHDFYHIQ-QFBILLFUSA-N 1 3 350.551 2.813 20 0 FFADHO O=C1CC[C@@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc2N1 ZINC000542500304 517596601 /nfs/dbraw/zinc/59/66/01/517596601.db2.gz UMRKRSYGLCNLCD-UYAOXDASSA-N 1 3 365.477 2.816 20 0 FFADHO O=C1CC[C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccc2N1 ZINC000542500304 517596606 /nfs/dbraw/zinc/59/66/06/517596606.db2.gz UMRKRSYGLCNLCD-UYAOXDASSA-N 1 3 365.477 2.816 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCn4cccc4[C@@H]3C)CC2)CC1 ZINC000553256640 517605825 /nfs/dbraw/zinc/60/58/25/517605825.db2.gz JIQJYNBLGRPZIY-KRWDZBQOSA-N 1 3 358.530 2.588 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CNCc4ccccc43)C2)CC1 ZINC000563064608 517626651 /nfs/dbraw/zinc/62/66/51/517626651.db2.gz RORLPQSDLLUPJH-RXVVDRJESA-N 1 3 355.526 2.844 20 0 FFADHO c1cnc(Oc2ccc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2)cn1 ZINC000530248860 517653319 /nfs/dbraw/zinc/65/33/19/517653319.db2.gz QWRABRCRYZGAML-FQEVSTJZSA-N 1 3 368.481 2.859 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCN(C)c1ccncc1 ZINC000542785232 517739330 /nfs/dbraw/zinc/73/93/30/517739330.db2.gz FJJZCAITUGERKQ-FQEVSTJZSA-N 1 3 366.509 2.888 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCN(C)c1ccncc1 ZINC000542785232 517739339 /nfs/dbraw/zinc/73/93/39/517739339.db2.gz FJJZCAITUGERKQ-FQEVSTJZSA-N 1 3 366.509 2.888 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCN3CCO[C@@H](C)C3)C2)s1 ZINC000563216158 517745164 /nfs/dbraw/zinc/74/51/64/517745164.db2.gz JESYGKJSUFYQLV-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCN3CCO[C@@H](C)C3)C2)s1 ZINC000563216158 517745174 /nfs/dbraw/zinc/74/51/74/517745174.db2.gz JESYGKJSUFYQLV-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCN3CCO[C@@H](C)C3)C2)s1 ZINC000563216158 517745182 /nfs/dbraw/zinc/74/51/82/517745182.db2.gz JESYGKJSUFYQLV-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCN3CCO[C@@H](C)C3)C2)s1 ZINC000563216158 517745194 /nfs/dbraw/zinc/74/51/94/517745194.db2.gz JESYGKJSUFYQLV-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCCCN2CC(C)C)CC1 ZINC000546623153 517761250 /nfs/dbraw/zinc/76/12/50/517761250.db2.gz BFRYTEVWKCCTSI-IBGZPJMESA-N 1 3 353.551 2.504 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC(CC[NH3+])CC2)[C@@H]1c1cccs1 ZINC000563271185 517783069 /nfs/dbraw/zinc/78/30/69/517783069.db2.gz KPEVNAPZIICKRA-SJLPKXTDSA-N 1 3 364.559 2.901 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3ccc(F)cc3)CC2)CC1 ZINC000516661726 517797122 /nfs/dbraw/zinc/79/71/22/517797122.db2.gz RKHBWBKXHDGQMW-UHFFFAOYSA-N 1 3 361.505 2.823 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000527659259 517828214 /nfs/dbraw/zinc/82/82/14/517828214.db2.gz PGROJMACOJQWJJ-FQEVSTJZSA-N 1 3 358.530 2.954 20 0 FFADHO COC(=O)CCn1nc(C)c(CN2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000534347021 517863270 /nfs/dbraw/zinc/86/32/70/517863270.db2.gz URVOANCJLSVJMG-UHFFFAOYSA-N 1 3 364.534 2.615 20 0 FFADHO COC(=O)CCn1nc(C)c(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000534347021 517863279 /nfs/dbraw/zinc/86/32/79/517863279.db2.gz URVOANCJLSVJMG-UHFFFAOYSA-N 1 3 364.534 2.615 20 0 FFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)c2)CCO1 ZINC000560527880 517874545 /nfs/dbraw/zinc/87/45/45/517874545.db2.gz GIJONSYDPZIORF-CIQXWFTPSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)c2)CCO1 ZINC000560527880 517874552 /nfs/dbraw/zinc/87/45/52/517874552.db2.gz GIJONSYDPZIORF-CIQXWFTPSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)c2)CCO1 ZINC000560527880 517874557 /nfs/dbraw/zinc/87/45/57/517874557.db2.gz GIJONSYDPZIORF-CIQXWFTPSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000539085453 517907530 /nfs/dbraw/zinc/90/75/30/517907530.db2.gz ODAOKVKFWIHBJI-KVSKMBFKSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@@H](NCCCC[NH+]1CCN(C)CC1)c1ncc(Br)s1 ZINC000534495204 517913244 /nfs/dbraw/zinc/91/32/44/517913244.db2.gz OQMPFMUCYTUGGQ-GFCCVEGCSA-N 1 3 361.353 2.584 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553946668 517985650 /nfs/dbraw/zinc/98/56/50/517985650.db2.gz KXEKAXCEOHVGEM-SIKLNZKXSA-N 1 3 368.525 2.531 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553946668 517985655 /nfs/dbraw/zinc/98/56/55/517985655.db2.gz KXEKAXCEOHVGEM-SIKLNZKXSA-N 1 3 368.525 2.531 20 0 FFADHO CC[C@H](C(=O)NCC1(N2CCSCC2)CCCCC1)[NH+](CC)CC ZINC000530817655 517991320 /nfs/dbraw/zinc/99/13/20/517991320.db2.gz XLOOJCKCTGWEQW-QGZVFWFLSA-N 1 3 355.592 2.975 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C1CCC(F)(F)CC1)c1ccccc1 ZINC000553992174 518010950 /nfs/dbraw/zinc/01/09/50/518010950.db2.gz IIWLYQUMVYEHOW-QGZVFWFLSA-N 1 3 353.457 2.915 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC(F)(F)CC1)c1ccccc1 ZINC000553992174 518010963 /nfs/dbraw/zinc/01/09/63/518010963.db2.gz IIWLYQUMVYEHOW-QGZVFWFLSA-N 1 3 353.457 2.915 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000517091833 518021570 /nfs/dbraw/zinc/02/15/70/518021570.db2.gz XHLOQGYMRXRYIV-ZWKOTPCHSA-N 1 3 373.545 2.776 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccc(F)cc1 ZINC000563641115 518042360 /nfs/dbraw/zinc/04/23/60/518042360.db2.gz PDWPXNBURQHBPP-GOSISDBHSA-N 1 3 364.509 2.992 20 0 FFADHO C[NH+](C)CCc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000557513799 518047846 /nfs/dbraw/zinc/04/78/46/518047846.db2.gz BEAHWRXVJKRNCL-UHFFFAOYSA-N 1 3 365.521 2.969 20 0 FFADHO COc1ccccc1COC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000517230252 518076453 /nfs/dbraw/zinc/07/64/53/518076453.db2.gz BNFJMLLOYNETPZ-HXUWFJFHSA-N 1 3 362.514 2.569 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)C1 ZINC000554178553 518094050 /nfs/dbraw/zinc/09/40/50/518094050.db2.gz DOHYQJTZQQBSBL-ZACQAIPSSA-N 1 3 350.507 2.740 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)C1 ZINC000554178553 518094067 /nfs/dbraw/zinc/09/40/67/518094067.db2.gz DOHYQJTZQQBSBL-ZACQAIPSSA-N 1 3 350.507 2.740 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000517269728 518100292 /nfs/dbraw/zinc/10/02/92/518100292.db2.gz XVPQAPPCECEKDZ-FXAWDEMLSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000547367577 518106677 /nfs/dbraw/zinc/10/66/77/518106677.db2.gz UEZAYQHUMKNRDN-INIZCTEOSA-N 1 3 365.477 2.913 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522468453 518112662 /nfs/dbraw/zinc/11/26/62/518112662.db2.gz DQCNCNPRGIXCKQ-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522468453 518112673 /nfs/dbraw/zinc/11/26/73/518112673.db2.gz DQCNCNPRGIXCKQ-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC[C@H](CNC(=O)C2(C)C[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000517367435 518130147 /nfs/dbraw/zinc/13/01/47/518130147.db2.gz YIEZNMYKUJWXIC-ZBFHGGJFSA-N 1 3 369.431 2.814 20 0 FFADHO C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C ZINC000522601399 518133250 /nfs/dbraw/zinc/13/32/50/518133250.db2.gz FVFDWMKBMTZJRG-OALUTQOASA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000522651007 518140631 /nfs/dbraw/zinc/14/06/31/518140631.db2.gz VAAWGAWALSLCTD-FQEVSTJZSA-N 1 3 374.573 2.681 20 0 FFADHO CSc1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000563881697 518213223 /nfs/dbraw/zinc/21/32/23/518213223.db2.gz NHOPUSNIGZISRO-NPYXIHBLSA-N 1 3 350.528 2.753 20 0 FFADHO CSc1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000563881697 518213225 /nfs/dbraw/zinc/21/32/25/518213225.db2.gz NHOPUSNIGZISRO-NPYXIHBLSA-N 1 3 350.528 2.753 20 0 FFADHO COc1ccc(-c2noc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)n2)c(OC)c1 ZINC000572511111 518226670 /nfs/dbraw/zinc/22/66/70/518226670.db2.gz NSUHEHDMEAKWTM-CQSZACIVSA-N 1 3 372.469 2.718 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)c1ccco1 ZINC000581330335 518232776 /nfs/dbraw/zinc/23/27/76/518232776.db2.gz XZLYAHLAVJBQIN-WDYCEAGBSA-N 1 3 365.518 2.618 20 0 FFADHO O=C(CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)Nc1cccc(F)c1 ZINC000578499714 518239114 /nfs/dbraw/zinc/23/91/14/518239114.db2.gz XKOJVNMRNRBXGS-OALUTQOASA-N 1 3 363.477 2.512 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566916067 518265250 /nfs/dbraw/zinc/26/52/50/518265250.db2.gz ZDFBCOPNJCTUBL-ZHALLVOQSA-N 1 3 368.525 2.537 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000578672039 518320489 /nfs/dbraw/zinc/32/04/89/518320489.db2.gz FJODRTHUUSODLR-KRWDZBQOSA-N 1 3 364.559 2.916 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccco1 ZINC000575920720 518344470 /nfs/dbraw/zinc/34/44/70/518344470.db2.gz LGKYFLDAEFHFSL-KFKAGJAMSA-N 1 3 370.497 2.977 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CCOC)CCC3)CC2)CC1 ZINC000584478420 518360830 /nfs/dbraw/zinc/36/08/30/518360830.db2.gz RNAAOUUMQFDCRA-UHFFFAOYSA-N 1 3 365.562 2.506 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000575972357 518368213 /nfs/dbraw/zinc/36/82/13/518368213.db2.gz KRADKTSETVVXCH-UAFMIMERSA-N 1 3 356.514 2.511 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c2ccccc2)CC1 ZINC000567147832 518376002 /nfs/dbraw/zinc/37/60/02/518376002.db2.gz FZLYAFWBWNSYPW-YZGWKJHDSA-N 1 3 358.530 2.757 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000572839238 518385481 /nfs/dbraw/zinc/38/54/81/518385481.db2.gz CEYONINTCBGQLO-HUBHPDRSSA-N 1 3 356.514 2.644 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2cccc3ccccc32)CCCO1 ZINC000564320215 518397338 /nfs/dbraw/zinc/39/73/38/518397338.db2.gz YLLJEZKWHKBXGM-QUCCMNQESA-N 1 3 372.509 2.670 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2cccc3ccccc32)CCCO1 ZINC000564320215 518397343 /nfs/dbraw/zinc/39/73/43/518397343.db2.gz YLLJEZKWHKBXGM-QUCCMNQESA-N 1 3 372.509 2.670 20 0 FFADHO C[C@@H]1[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000576055604 518406703 /nfs/dbraw/zinc/40/67/03/518406703.db2.gz RVYQAPKLRSKPQO-YLJYHZDGSA-N 1 3 352.482 2.687 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCC1(c2ccccc2)CCCCC1 ZINC000570045646 518416830 /nfs/dbraw/zinc/41/68/30/518416830.db2.gz IWEGDZFWHMMUCO-BGYRXZFFSA-N 1 3 369.553 2.936 20 0 FFADHO COc1cc(F)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000570049164 518418278 /nfs/dbraw/zinc/41/82/78/518418278.db2.gz DTUYMFDUBVPTSJ-GJZGRUSLSA-N 1 3 354.466 2.822 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000570062851 518424609 /nfs/dbraw/zinc/42/46/09/518424609.db2.gz LBYZNWSKBDSRSA-IBGZPJMESA-N 1 3 374.529 2.869 20 0 FFADHO CN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)(C)C[NH+]1CCCC1 ZINC000572943177 518431171 /nfs/dbraw/zinc/43/11/71/518431171.db2.gz WQVUGXBKLVKJGM-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000584715300 518443590 /nfs/dbraw/zinc/44/35/90/518443590.db2.gz PSZIXWFYYZCXLL-IRXDYDNUSA-N 1 3 370.534 2.947 20 0 FFADHO CN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCN(C2CC2)C1 ZINC000581777379 518450379 /nfs/dbraw/zinc/45/03/79/518450379.db2.gz BUBWBTUNRSLCEF-VQTJNVASSA-N 1 3 352.482 2.718 20 0 FFADHO OCC[C@@H]1CCCCN1Cc1cncc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000570131657 518454105 /nfs/dbraw/zinc/45/41/05/518454105.db2.gz VRTHAXSIXMGLHH-SFTDATJTSA-N 1 3 361.530 2.555 20 0 FFADHO OCC[C@@H]1CCCCN1Cc1cncc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000570131657 518454111 /nfs/dbraw/zinc/45/41/11/518454111.db2.gz VRTHAXSIXMGLHH-SFTDATJTSA-N 1 3 361.530 2.555 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000584820063 518491155 /nfs/dbraw/zinc/49/11/55/518491155.db2.gz XSMOQYFHGHKZTL-GOSISDBHSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000584820063 518491159 /nfs/dbraw/zinc/49/11/59/518491159.db2.gz XSMOQYFHGHKZTL-GOSISDBHSA-N 1 3 352.567 2.869 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000584871295 518516077 /nfs/dbraw/zinc/51/60/77/518516077.db2.gz ZJLMSZRHTYFXJF-UHFFFAOYSA-N 1 3 360.546 2.633 20 0 FFADHO O=C(CNCCc1ccc(F)cc1Cl)NCC[NH+]1CCCCCC1 ZINC000567457532 518532882 /nfs/dbraw/zinc/53/28/82/518532882.db2.gz UYJGJNRIPLLVBL-UHFFFAOYSA-N 1 3 355.885 2.603 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000579235678 518587027 /nfs/dbraw/zinc/58/70/27/518587027.db2.gz ASVOIZXDYPTASV-SJLPKXTDSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000579235678 518587033 /nfs/dbraw/zinc/58/70/33/518587033.db2.gz ASVOIZXDYPTASV-SJLPKXTDSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000582111921 518592925 /nfs/dbraw/zinc/59/29/25/518592925.db2.gz QETDGNHBJMCEOU-XMSQKQJNSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000582116315 518596504 /nfs/dbraw/zinc/59/65/04/518596504.db2.gz USVVOOUFSUGFRK-GUDVDZBRSA-N 1 3 364.603 2.937 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000573503639 518698125 /nfs/dbraw/zinc/69/81/25/518698125.db2.gz CVGZWILDTAPGFR-QZTJIDSGSA-N 1 3 365.562 2.504 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C(F)(F)F)CC3)CC2)CC1 ZINC000579492335 518708528 /nfs/dbraw/zinc/70/85/28/518708528.db2.gz DBWJPWJCPRFHTM-UHFFFAOYSA-N 1 3 361.452 2.641 20 0 FFADHO CCN(Cc1ccncc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582368308 518719335 /nfs/dbraw/zinc/71/93/35/518719335.db2.gz DWQUHHKMNZTOTE-UHFFFAOYSA-N 1 3 358.530 2.626 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000576702797 518721509 /nfs/dbraw/zinc/72/15/09/518721509.db2.gz FVORMDIWLIKRBG-INIZCTEOSA-N 1 3 356.514 2.549 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)COC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000570680072 518729742 /nfs/dbraw/zinc/72/97/42/518729742.db2.gz IZEMIBFBTDZPEO-AFVILVPDSA-N 1 3 373.541 2.784 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)NC1CC[NH+](C2CCCC2)CC1 ZINC000576729905 518735414 /nfs/dbraw/zinc/73/54/14/518735414.db2.gz IYCIGLOVQQTOFX-FQEVSTJZSA-N 1 3 356.514 2.580 20 0 FFADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000579690186 518804925 /nfs/dbraw/zinc/80/49/25/518804925.db2.gz DKPTZNXRGUVLEK-LNLFQRSKSA-N 1 3 358.530 2.899 20 0 FFADHO [NH3+]CCOCCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000576875047 518806556 /nfs/dbraw/zinc/80/65/56/518806556.db2.gz IOSZHHYNNWHKHG-CQSZACIVSA-N 1 3 350.850 2.545 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@@H](N)CC3CCCCC3)CCCC2)CC1 ZINC000579708728 518815969 /nfs/dbraw/zinc/81/59/69/518815969.db2.gz MCUXUVMMCTUTHN-IBGZPJMESA-N 1 3 365.562 2.824 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(=O)OC)cc3)CC2)CC1 ZINC000565174156 518824029 /nfs/dbraw/zinc/82/40/29/518824029.db2.gz RJNJALIOBSHIRY-UHFFFAOYSA-N 1 3 373.497 2.608 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000582594244 518827887 /nfs/dbraw/zinc/82/78/87/518827887.db2.gz FHEDTUQVCOTKNT-HNNXBMFYSA-N 1 3 366.893 2.672 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000577176487 518949894 /nfs/dbraw/zinc/94/98/94/518949894.db2.gz TYKGSTCEUQVGOY-QRQLOZEOSA-N 1 3 367.497 2.575 20 0 FFADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000582894110 518973721 /nfs/dbraw/zinc/97/37/21/518973721.db2.gz COPCTMLWOCPMDU-CMKODMSKSA-N 1 3 358.530 2.838 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000571269002 519010707 /nfs/dbraw/zinc/01/07/07/519010707.db2.gz HPPDXORNVNFZHE-MJGOQNOKSA-N 1 3 358.530 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000571275519 519012542 /nfs/dbraw/zinc/01/25/42/519012542.db2.gz FSCSTSFLNLMZFV-GVDBMIGSSA-N 1 3 355.482 2.573 20 0 FFADHO CN(CCOCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000568392542 519017899 /nfs/dbraw/zinc/01/78/99/519017899.db2.gz HOHNJVKBPHEMQG-UHFFFAOYSA-N 1 3 350.466 2.946 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(Nc2ccncc2)cc1 ZINC000568467277 519050373 /nfs/dbraw/zinc/05/03/73/519050373.db2.gz MROYKLOKULEXIF-FQEVSTJZSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(Nc2ccncc2)cc1 ZINC000568467277 519050377 /nfs/dbraw/zinc/05/03/77/519050377.db2.gz MROYKLOKULEXIF-FQEVSTJZSA-N 1 3 350.466 2.994 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000583141223 519097871 /nfs/dbraw/zinc/09/78/71/519097871.db2.gz KEMQVHOVRGHLFL-RLLQIKCJSA-N 1 3 359.514 2.856 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000589951116 519110657 /nfs/dbraw/zinc/11/06/57/519110657.db2.gz ODIOAERCRFNXTK-NHCUHLMSSA-N 1 3 370.541 2.771 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000577512839 519119968 /nfs/dbraw/zinc/11/99/68/519119968.db2.gz YUITYLYVCFDZTM-TZIWHRDSSA-N 1 3 366.509 2.672 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000568644878 519146048 /nfs/dbraw/zinc/14/60/48/519146048.db2.gz UYFRPFPXBKQTNF-OAQYLSRUSA-N 1 3 351.494 2.887 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000568644878 519146052 /nfs/dbraw/zinc/14/60/52/519146052.db2.gz UYFRPFPXBKQTNF-OAQYLSRUSA-N 1 3 351.494 2.887 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000577616446 519170219 /nfs/dbraw/zinc/17/02/19/519170219.db2.gz VZSJGERUKAXULV-OAQYLSRUSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000583311573 519182899 /nfs/dbraw/zinc/18/28/99/519182899.db2.gz QKWUDGBZIJMMCN-FQEVSTJZSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000583311826 519183089 /nfs/dbraw/zinc/18/30/89/519183089.db2.gz YBNOTZBYPNNXSW-DFGXFYAUSA-N 1 3 364.559 2.818 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCC1(c2ccccc2)CCCC1 ZINC000568765742 519204581 /nfs/dbraw/zinc/20/45/81/519204581.db2.gz ZFXFCPFNZOSQIA-PMACEKPBSA-N 1 3 369.553 2.936 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000583371295 519212878 /nfs/dbraw/zinc/21/28/78/519212878.db2.gz RTUMBLUOTHGOJG-HXUWFJFHSA-N 1 3 370.541 2.896 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCc3ccccc3[C@@H]2CN)c1 ZINC000580560415 519240278 /nfs/dbraw/zinc/24/02/78/519240278.db2.gz DUORHPBBOYBSJQ-FQEVSTJZSA-N 1 3 352.482 2.516 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C[C@H]1C[NH3+] ZINC000580704066 519312252 /nfs/dbraw/zinc/31/22/52/519312252.db2.gz CVYBENXPINLMQJ-KYHPRHEASA-N 1 3 364.559 2.757 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000566191382 519361303 /nfs/dbraw/zinc/36/13/03/519361303.db2.gz JRWGLETUWOFODV-SFHVURJKSA-N 1 3 372.538 2.918 20 0 FFADHO CSC1(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCN(C)CC1 ZINC000580807404 519367730 /nfs/dbraw/zinc/36/77/30/519367730.db2.gz VHACUFDRVBHFQX-QGZVFWFLSA-N 1 3 370.607 2.625 20 0 FFADHO CSC1(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCN(C)CC1 ZINC000580807404 519367737 /nfs/dbraw/zinc/36/77/37/519367737.db2.gz VHACUFDRVBHFQX-QGZVFWFLSA-N 1 3 370.607 2.625 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccccc1F ZINC000572030530 519408776 /nfs/dbraw/zinc/40/87/76/519408776.db2.gz XZXJRXQFIQXAEK-WOJBJXKFSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccccc1F ZINC000572030530 519408786 /nfs/dbraw/zinc/40/87/86/519408786.db2.gz XZXJRXQFIQXAEK-WOJBJXKFSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)COc1ccccc1F ZINC000572030530 519408791 /nfs/dbraw/zinc/40/87/91/519408791.db2.gz XZXJRXQFIQXAEK-WOJBJXKFSA-N 1 3 372.484 2.720 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)cc2c1OCC2 ZINC000580915805 519424118 /nfs/dbraw/zinc/42/41/18/519424118.db2.gz DNQMQYMNUGYARD-UHFFFAOYSA-N 1 3 351.922 2.733 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000572132539 519460468 /nfs/dbraw/zinc/46/04/68/519460468.db2.gz HXWOWPAYWOACOH-YADHBBJMSA-N 1 3 365.521 2.798 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000572132539 519460472 /nfs/dbraw/zinc/46/04/72/519460472.db2.gz HXWOWPAYWOACOH-YADHBBJMSA-N 1 3 365.521 2.798 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000575154573 519529538 /nfs/dbraw/zinc/52/95/38/519529538.db2.gz SDUHYFLNCWYGDE-PMACEKPBSA-N 1 3 350.466 2.899 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000578316302 519531628 /nfs/dbraw/zinc/53/16/28/519531628.db2.gz VYUWZFFLMCOGPO-INIZCTEOSA-N 1 3 356.507 2.844 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000578316302 519531633 /nfs/dbraw/zinc/53/16/33/519531633.db2.gz VYUWZFFLMCOGPO-INIZCTEOSA-N 1 3 356.507 2.844 20 0 FFADHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc(Cl)c1OC ZINC000569410932 519534514 /nfs/dbraw/zinc/53/45/14/519534514.db2.gz OPSWBTAYXHUHLI-UHFFFAOYSA-N 1 3 369.937 2.815 20 0 FFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000581185693 519564521 /nfs/dbraw/zinc/56/45/21/519564521.db2.gz CPIWARLBNUHKOJ-HXUWFJFHSA-N 1 3 355.482 2.636 20 0 FFADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000581189406 519568018 /nfs/dbraw/zinc/56/80/18/519568018.db2.gz NZCHKRFDICDSIM-VQTJNVASSA-N 1 3 352.482 2.734 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578402917 519573006 /nfs/dbraw/zinc/57/30/06/519573006.db2.gz PVNLJYLTIALZCN-UHFFFAOYSA-N 1 3 356.514 2.598 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578402917 519573012 /nfs/dbraw/zinc/57/30/12/519573012.db2.gz PVNLJYLTIALZCN-UHFFFAOYSA-N 1 3 356.514 2.598 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)c2)CC1 ZINC000572400929 519597222 /nfs/dbraw/zinc/59/72/22/519597222.db2.gz ITIJHWQLXBEFHB-NRFANRHFSA-N 1 3 366.509 2.898 20 0 FFADHO C[C@H](NC1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCOCC1)c1ccccc1 ZINC000566735690 519627398 /nfs/dbraw/zinc/62/73/98/519627398.db2.gz NKGCJZAISRTRRZ-YTQUADARSA-N 1 3 359.514 2.520 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000591612313 519968968 /nfs/dbraw/zinc/96/89/68/519968968.db2.gz JMJSTEAMPZONOW-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000591612313 519968974 /nfs/dbraw/zinc/96/89/74/519968974.db2.gz JMJSTEAMPZONOW-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000608642096 520060341 /nfs/dbraw/zinc/06/03/41/520060341.db2.gz QZHQELZAFKPTDU-HSALFYBXSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000608642096 520060350 /nfs/dbraw/zinc/06/03/50/520060350.db2.gz QZHQELZAFKPTDU-HSALFYBXSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591865531 520065783 /nfs/dbraw/zinc/06/57/83/520065783.db2.gz CFOYCFHFRBHNIA-OAHLLOKOSA-N 1 3 357.420 2.547 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591865531 520065790 /nfs/dbraw/zinc/06/57/90/520065790.db2.gz CFOYCFHFRBHNIA-OAHLLOKOSA-N 1 3 357.420 2.547 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000608685712 520080827 /nfs/dbraw/zinc/08/08/27/520080827.db2.gz WUNGGKSIWIQZEO-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608685712 520080837 /nfs/dbraw/zinc/08/08/37/520080837.db2.gz WUNGGKSIWIQZEO-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000608704310 520090895 /nfs/dbraw/zinc/09/08/95/520090895.db2.gz LDFRHPROZBSRBC-AZUAARDMSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000608704310 520090905 /nfs/dbraw/zinc/09/09/05/520090905.db2.gz LDFRHPROZBSRBC-AZUAARDMSA-N 1 3 358.530 2.695 20 0 FFADHO CN1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC000608769515 520120722 /nfs/dbraw/zinc/12/07/22/520120722.db2.gz CQLFJGPGNXXKLM-MSOLQXFVSA-N 1 3 360.502 2.718 20 0 FFADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000603320350 520213329 /nfs/dbraw/zinc/21/33/29/520213329.db2.gz IAIHYUGNFISMMM-LPHOPBHVSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000595066911 520277396 /nfs/dbraw/zinc/27/73/96/520277396.db2.gz GNFCTFYMBZNOSL-KTPJXYJSSA-N 1 3 352.544 2.967 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([S@](C)=O)cc1 ZINC000595069811 520279596 /nfs/dbraw/zinc/27/95/96/520279596.db2.gz LDQHHXHXJRDMPK-DYAGGBNNSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([S@](C)=O)cc1 ZINC000595069811 520279604 /nfs/dbraw/zinc/27/96/04/520279604.db2.gz LDQHHXHXJRDMPK-DYAGGBNNSA-N 1 3 372.534 2.841 20 0 FFADHO CC(C)C[NH+]1CCC(NCC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000600723599 520424307 /nfs/dbraw/zinc/42/43/07/520424307.db2.gz XSIQEPRDTCDFDC-UHFFFAOYSA-N 1 3 368.562 2.959 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000604162177 520464306 /nfs/dbraw/zinc/46/43/06/520464306.db2.gz UEHRCSBWAFKTEE-UHFFFAOYSA-N 1 3 360.546 2.944 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000604171498 520468487 /nfs/dbraw/zinc/46/84/87/520468487.db2.gz QJPFZYJUFQVDPK-DOTOQJQBSA-N 1 3 350.532 2.667 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000604171498 520468494 /nfs/dbraw/zinc/46/84/94/520468494.db2.gz QJPFZYJUFQVDPK-DOTOQJQBSA-N 1 3 350.532 2.667 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000600843403 520496473 /nfs/dbraw/zinc/49/64/73/520496473.db2.gz APTWNZXXIBSCNV-LEWJYISDSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000600843403 520496483 /nfs/dbraw/zinc/49/64/83/520496483.db2.gz APTWNZXXIBSCNV-LEWJYISDSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000600855892 520498552 /nfs/dbraw/zinc/49/85/52/520498552.db2.gz QBQNTKQSCKVAGD-MSOLQXFVSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000600855892 520498556 /nfs/dbraw/zinc/49/85/56/520498556.db2.gz QBQNTKQSCKVAGD-MSOLQXFVSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000617502116 520537049 /nfs/dbraw/zinc/53/70/49/520537049.db2.gz CQZMHEWYTPEMIQ-KSSFIOAISA-N 1 3 367.921 2.690 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000617502116 520537060 /nfs/dbraw/zinc/53/70/60/520537060.db2.gz CQZMHEWYTPEMIQ-KSSFIOAISA-N 1 3 367.921 2.690 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000617503764 520538191 /nfs/dbraw/zinc/53/81/91/520538191.db2.gz YELJPRZAOCEIOA-XIRDDKMYSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000617503764 520538199 /nfs/dbraw/zinc/53/81/99/520538199.db2.gz YELJPRZAOCEIOA-XIRDDKMYSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000617503239 520539097 /nfs/dbraw/zinc/53/90/97/520539097.db2.gz ALWIOIUSUIZOEL-RRFJBIMHSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000617503239 520539100 /nfs/dbraw/zinc/53/91/00/520539100.db2.gz ALWIOIUSUIZOEL-RRFJBIMHSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c(Cl)cccc1Cl ZINC000617503281 520539802 /nfs/dbraw/zinc/53/98/02/520539802.db2.gz CMTDCZWJHRCVEB-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c(Cl)cccc1Cl ZINC000617503281 520539810 /nfs/dbraw/zinc/53/98/10/520539810.db2.gz CMTDCZWJHRCVEB-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000617506722 520540669 /nfs/dbraw/zinc/54/06/69/520540669.db2.gz XECQRPIVWGLFGT-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000617506722 520540677 /nfs/dbraw/zinc/54/06/77/520540677.db2.gz XECQRPIVWGLFGT-LBPRGKRZSA-N 1 3 363.399 2.846 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(Cc2ccccc2)n1 ZINC000617505057 520543181 /nfs/dbraw/zinc/54/31/81/520543181.db2.gz VQDNVAZIIUOIDG-INIZCTEOSA-N 1 3 374.554 2.736 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(Cc2ccccc2)n1 ZINC000617505057 520543187 /nfs/dbraw/zinc/54/31/87/520543187.db2.gz VQDNVAZIIUOIDG-INIZCTEOSA-N 1 3 374.554 2.736 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc2ccccc2cc1Cl ZINC000617507602 520544982 /nfs/dbraw/zinc/54/49/82/520544982.db2.gz BYISJHCPVBAFJB-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc2ccccc2cc1Cl ZINC000617507602 520544988 /nfs/dbraw/zinc/54/49/88/520544988.db2.gz BYISJHCPVBAFJB-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000617551486 520576838 /nfs/dbraw/zinc/57/68/38/520576838.db2.gz SGXWOIXMLBEEDT-MSOLQXFVSA-N 1 3 365.468 2.696 20 0 FFADHO CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000617551486 520576852 /nfs/dbraw/zinc/57/68/52/520576852.db2.gz SGXWOIXMLBEEDT-MSOLQXFVSA-N 1 3 365.468 2.696 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cscn3)CC2)CC1 ZINC000617822302 520736705 /nfs/dbraw/zinc/73/67/05/520736705.db2.gz LCFFLRNMFQGJFC-AWEZNQCLSA-N 1 3 350.532 2.517 20 0 FFADHO CCOC(=O)c1ccc(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000595904795 520810819 /nfs/dbraw/zinc/81/08/19/520810819.db2.gz LGVZNSDMCOVEOF-CRAIPNDOSA-N 1 3 361.486 2.641 20 0 FFADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c1C ZINC000595904566 520811980 /nfs/dbraw/zinc/81/19/80/520811980.db2.gz HAHNCBLNIPUWKS-CRAIPNDOSA-N 1 3 360.502 2.791 20 0 FFADHO C[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000617978107 520815371 /nfs/dbraw/zinc/81/53/71/520815371.db2.gz PTBGTHNZBGZLIK-SFHVURJKSA-N 1 3 358.530 2.674 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)[NH+](CC)CC ZINC000605424897 520870992 /nfs/dbraw/zinc/87/09/92/520870992.db2.gz GYBXGSDNPUYUBF-HXUWFJFHSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)C[NH+]1CCCC1 ZINC000606645882 521122266 /nfs/dbraw/zinc/12/22/66/521122266.db2.gz GKRXFJKOQITLRZ-SFHVURJKSA-N 1 3 352.567 2.872 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000599298022 521135590 /nfs/dbraw/zinc/13/55/90/521135590.db2.gz OKYNQUKSCOKEMC-XPQZIERPSA-N 1 3 366.546 2.667 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000599298022 521135592 /nfs/dbraw/zinc/13/55/92/521135592.db2.gz OKYNQUKSCOKEMC-XPQZIERPSA-N 1 3 366.546 2.667 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000599298022 521135593 /nfs/dbraw/zinc/13/55/93/521135593.db2.gz OKYNQUKSCOKEMC-XPQZIERPSA-N 1 3 366.546 2.667 20 0 FFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655703 521194968 /nfs/dbraw/zinc/19/49/68/521194968.db2.gz XKRVVKFCPWZKBP-HIFRSBDPSA-N 1 3 358.267 2.941 20 0 FFADHO CCN1CCC(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000611679971 521278404 /nfs/dbraw/zinc/27/84/04/521278404.db2.gz AUNPFFFHJIQXEJ-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000628744279 521767698 /nfs/dbraw/zinc/76/76/98/521767698.db2.gz FAPJLBXICCDIAB-RBUKOAKNSA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000628744279 521767709 /nfs/dbraw/zinc/76/77/09/521767709.db2.gz FAPJLBXICCDIAB-RBUKOAKNSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCCS(=O)(=O)CC3)cc2)C1 ZINC000634953283 521832019 /nfs/dbraw/zinc/83/20/19/521832019.db2.gz WXQMPFBGRCGDJW-YLJYHZDGSA-N 1 3 364.555 2.975 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCCS(=O)(=O)CC3)cc2)C1 ZINC000634953283 521832023 /nfs/dbraw/zinc/83/20/23/521832023.db2.gz WXQMPFBGRCGDJW-YLJYHZDGSA-N 1 3 364.555 2.975 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc4nccnc4c3)cc2)CC1 ZINC000634953931 521832663 /nfs/dbraw/zinc/83/26/63/521832663.db2.gz OAQUUPGOWLSNNN-UHFFFAOYSA-N 1 3 361.493 2.667 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623515093 522082341 /nfs/dbraw/zinc/08/23/41/522082341.db2.gz ONMYLNOYESWVRQ-SFTDATJTSA-N 1 3 372.557 2.930 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623515093 522082349 /nfs/dbraw/zinc/08/23/49/522082349.db2.gz ONMYLNOYESWVRQ-SFTDATJTSA-N 1 3 372.557 2.930 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C12CCC[NH+](CCC1)C2 ZINC000635451710 522274664 /nfs/dbraw/zinc/27/46/64/522274664.db2.gz AYXKADABYUZKOX-QGZVFWFLSA-N 1 3 361.555 2.952 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000629516569 522295073 /nfs/dbraw/zinc/29/50/73/522295073.db2.gz KOZKXJQXHQXDFN-YLJYHZDGSA-N 1 3 358.530 2.594 20 0 FFADHO CCOCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000629575292 522329479 /nfs/dbraw/zinc/32/94/79/522329479.db2.gz OENPRFNCQCKJRS-VABKMULXSA-N 1 3 368.521 2.943 20 0 FFADHO CCOCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000629575292 522329487 /nfs/dbraw/zinc/32/94/87/522329487.db2.gz OENPRFNCQCKJRS-VABKMULXSA-N 1 3 368.521 2.943 20 0 FFADHO COc1ccc([C@H]2CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cc1F ZINC000629588473 522337250 /nfs/dbraw/zinc/33/72/50/522337250.db2.gz IKTWKBRGJHHJKK-IHPCNDPISA-N 1 3 358.457 2.555 20 0 FFADHO COc1ccc([C@H]2CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cc1F ZINC000629588473 522337262 /nfs/dbraw/zinc/33/72/62/522337262.db2.gz IKTWKBRGJHHJKK-IHPCNDPISA-N 1 3 358.457 2.555 20 0 FFADHO CN(C)CCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629657147 522378362 /nfs/dbraw/zinc/37/83/62/522378362.db2.gz UAOQANWECICOBD-WBVHZDCISA-N 1 3 359.436 2.586 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C[C@H](C)O1 ZINC000620756967 522409064 /nfs/dbraw/zinc/40/90/64/522409064.db2.gz NNGOLALWKRJNPA-IRXDYDNUSA-N 1 3 359.514 2.558 20 0 FFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000629974463 522558543 /nfs/dbraw/zinc/55/85/43/522558543.db2.gz ZEVPIANFSRWECZ-TZIWHRDSSA-N 1 3 355.526 2.984 20 0 FFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000629974463 522558549 /nfs/dbraw/zinc/55/85/49/522558549.db2.gz ZEVPIANFSRWECZ-TZIWHRDSSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C[NH2+]1 ZINC000627194161 522708112 /nfs/dbraw/zinc/70/81/12/522708112.db2.gz CPNKMIJIYIKZOF-WMLDXEAASA-N 1 3 352.910 2.554 20 0 FFADHO C[C@H](NC1(CNC(=O)CC[C@@H]2CCC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000621649470 522996507 /nfs/dbraw/zinc/99/65/07/522996507.db2.gz JWKJRQOMMJLHNP-OALUTQOASA-N 1 3 373.541 2.782 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)cc3F)CC2)CC1 ZINC000633816574 523011725 /nfs/dbraw/zinc/01/17/25/523011725.db2.gz HQDNPVNTCLAMQL-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621690893 523022227 /nfs/dbraw/zinc/02/22/27/523022227.db2.gz ZKODNEMCNUDCMM-FGSXEWAUSA-N 1 3 371.525 2.893 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000621755052 523058684 /nfs/dbraw/zinc/05/86/84/523058684.db2.gz RPSDYAZFGADIQZ-ZWOKBUDYSA-N 1 3 359.514 2.963 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[N@@H+]1C ZINC000630730661 523084795 /nfs/dbraw/zinc/08/47/95/523084795.db2.gz UIKZMDGIOKGAIH-GBESFXJTSA-N 1 3 371.525 2.821 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[N@H+]1C ZINC000630730661 523084809 /nfs/dbraw/zinc/08/48/09/523084809.db2.gz UIKZMDGIOKGAIH-GBESFXJTSA-N 1 3 371.525 2.821 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634698480 523586743 /nfs/dbraw/zinc/58/67/43/523586743.db2.gz NINZXKJUEXRSJH-INIZCTEOSA-N 1 3 359.297 2.950 20 0 FFADHO Nc1cc[nH+]c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164903837 721583230 /nfs/dbraw/zinc/58/32/30/721583230.db2.gz OEYGTIHLFSATMZ-GOSISDBHSA-N 1 3 359.424 2.797 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000045521858 728003401 /nfs/dbraw/zinc/00/34/01/728003401.db2.gz NMULNLXDCJJIFV-IBGZPJMESA-N 1 3 360.571 2.599 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000045521858 728003403 /nfs/dbraw/zinc/00/34/03/728003403.db2.gz NMULNLXDCJJIFV-IBGZPJMESA-N 1 3 360.571 2.599 20 0 FFADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(C[C@H]1CCCO1)C(F)(F)F ZINC000638669751 730038692 /nfs/dbraw/zinc/03/86/92/730038692.db2.gz AXPNLWYVLODFOE-KGLIPLIRSA-N 1 3 358.360 2.855 20 0 FFADHO CN1CC[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000638802455 730045477 /nfs/dbraw/zinc/04/54/77/730045477.db2.gz OYCSFVDDVQFBTI-RTBURBONSA-N 1 3 365.949 2.910 20 0 FFADHO CN1CC[C@@H](NC2CC[NH+](CC(C)(C)O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000638802455 730045478 /nfs/dbraw/zinc/04/54/78/730045478.db2.gz OYCSFVDDVQFBTI-RTBURBONSA-N 1 3 365.949 2.910 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCCC[NH+](C)C)c2cccs2)CC1 ZINC000643216559 730284126 /nfs/dbraw/zinc/28/41/26/730284126.db2.gz CZLZJZFUIFBPJJ-INIZCTEOSA-N 1 3 352.548 2.772 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cccc(Br)n1 ZINC000924966929 738466856 /nfs/dbraw/zinc/46/68/56/738466856.db2.gz RWYJYKLFHZQZQO-AWEZNQCLSA-N 1 3 355.324 2.522 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cccc(Br)n1 ZINC000924966929 738466858 /nfs/dbraw/zinc/46/68/58/738466858.db2.gz RWYJYKLFHZQZQO-AWEZNQCLSA-N 1 3 355.324 2.522 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000644784121 730503594 /nfs/dbraw/zinc/50/35/94/730503594.db2.gz JTBZSOMJOCKEKH-DYVFJYSZSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000644784121 730503597 /nfs/dbraw/zinc/50/35/97/730503597.db2.gz JTBZSOMJOCKEKH-DYVFJYSZSA-N 1 3 359.297 2.761 20 0 FFADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862274342 730684874 /nfs/dbraw/zinc/68/48/74/730684874.db2.gz KCEVWMSLAVNBAO-JKSUJKDBSA-N 1 3 355.523 2.680 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862274342 730684875 /nfs/dbraw/zinc/68/48/75/730684875.db2.gz KCEVWMSLAVNBAO-JKSUJKDBSA-N 1 3 355.523 2.680 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862274342 730684877 /nfs/dbraw/zinc/68/48/77/730684877.db2.gz KCEVWMSLAVNBAO-JKSUJKDBSA-N 1 3 355.523 2.680 20 0 FFADHO FC(F)(F)c1cc(Cl)c2nnc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2c1 ZINC000647791241 730762425 /nfs/dbraw/zinc/76/24/25/730762425.db2.gz BBWJIIJMXIAUSZ-JBLDHEPKSA-N 1 3 373.810 2.879 20 0 FFADHO O[C@@H]1CCN(CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Br)cc1 ZINC000863562708 730790482 /nfs/dbraw/zinc/79/04/82/730790482.db2.gz KKPLWYXWXLTXPO-IAGOWNOFSA-N 1 3 353.304 2.947 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865448117 730956479 /nfs/dbraw/zinc/95/64/79/730956479.db2.gz BEOLGTCYURLLGK-CQSZACIVSA-N 1 3 359.436 2.790 20 0 FFADHO CC[N@H+](CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)C1CCCCC1 ZINC000651220070 731066490 /nfs/dbraw/zinc/06/64/90/731066490.db2.gz QYWLAFQCMWJOFF-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+](CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)C1CCCCC1 ZINC000651220070 731066493 /nfs/dbraw/zinc/06/64/93/731066493.db2.gz QYWLAFQCMWJOFF-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CCCCN(CCCC)C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346567 731185312 /nfs/dbraw/zinc/18/53/12/731185312.db2.gz ANUQQCFCKWTLNV-FHWLQOOXSA-N 1 3 353.551 2.634 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3CC(F)(F)C3)CC2)CC1 ZINC000655141121 731431659 /nfs/dbraw/zinc/43/16/59/731431659.db2.gz NXFXYJDFNLYQOK-UHFFFAOYSA-N 1 3 357.489 2.734 20 0 FFADHO CN1CCC[C@H](C[NH2+]C2CCN([C@H]3CCOC3)CC2)[C@@H]1c1cccs1 ZINC000655715507 731501686 /nfs/dbraw/zinc/50/16/86/731501686.db2.gz LBWCCILCSHDDCM-IMFGXOCKSA-N 1 3 363.571 2.974 20 0 FFADHO CN1CCC[C@H](C[NH2+]C2CCN([C@@H]3CCOC3)CC2)[C@@H]1c1cccs1 ZINC000655715510 731501727 /nfs/dbraw/zinc/50/17/27/731501727.db2.gz LBWCCILCSHDDCM-YVWKXTFCSA-N 1 3 363.571 2.974 20 0 FFADHO FC(F)(F)COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940406 731529413 /nfs/dbraw/zinc/52/94/13/731529413.db2.gz AJPVJVZWRMJINW-UONOGXRCSA-N 1 3 358.408 2.629 20 0 FFADHO CC[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000925779099 738529466 /nfs/dbraw/zinc/52/94/66/738529466.db2.gz WDMLGHLOLBKKIS-SOUVJXGZSA-N 1 3 361.477 2.999 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000925783821 738529826 /nfs/dbraw/zinc/52/98/26/738529826.db2.gz OXZLUFWARUUJDI-GXTWGEPZSA-N 1 3 352.429 2.866 20 0 FFADHO c1c(CN2CCC(OC[C@@H]3CCCCO3)CC2)sc2c1C[NH2+]CC2 ZINC000873206572 731890456 /nfs/dbraw/zinc/89/04/56/731890456.db2.gz BNRJGBBRJMDZFG-KRWDZBQOSA-N 1 3 350.528 2.944 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000874432755 732057289 /nfs/dbraw/zinc/05/72/89/732057289.db2.gz QTJWPDBTSOQOKT-YYIAUSFCSA-N 1 3 362.543 2.715 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660662119 732131303 /nfs/dbraw/zinc/13/13/03/732131303.db2.gz IFPKHLQCZQOPQU-LPHOPBHVSA-N 1 3 350.528 2.566 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000660662119 732131304 /nfs/dbraw/zinc/13/13/04/732131304.db2.gz IFPKHLQCZQOPQU-LPHOPBHVSA-N 1 3 350.528 2.566 20 0 FFADHO CC(C)CN(C(=O)c1csc(C2CC[NH2+]CC2)n1)C1CCN(C)CC1 ZINC000876876532 732290461 /nfs/dbraw/zinc/29/04/61/732290461.db2.gz QQSJAUHZVGMYOD-UHFFFAOYSA-N 1 3 364.559 2.803 20 0 FFADHO Clc1ccc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000876945301 732301342 /nfs/dbraw/zinc/30/13/42/732301342.db2.gz XVCLKFWRNWGHTQ-UHFFFAOYSA-N 1 3 359.905 2.822 20 0 FFADHO Clc1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)nn1 ZINC000876945301 732301346 /nfs/dbraw/zinc/30/13/46/732301346.db2.gz XVCLKFWRNWGHTQ-UHFFFAOYSA-N 1 3 359.905 2.822 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000877054033 732318232 /nfs/dbraw/zinc/31/82/32/732318232.db2.gz AWHBCFUGUJQALL-OAHLLOKOSA-N 1 3 361.313 2.852 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1Cl ZINC000663446483 732442578 /nfs/dbraw/zinc/44/25/78/732442578.db2.gz OVFQSQSOAFETBC-LSDHHAIUSA-N 1 3 354.926 2.972 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1Cl ZINC000663446483 732442581 /nfs/dbraw/zinc/44/25/81/732442581.db2.gz OVFQSQSOAFETBC-LSDHHAIUSA-N 1 3 354.926 2.972 20 0 FFADHO Cc1cc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)s1 ZINC000663640520 732469578 /nfs/dbraw/zinc/46/95/78/732469578.db2.gz IAILKJRDVPHEDE-ZFWWWQNUSA-N 1 3 354.564 2.997 20 0 FFADHO Cc1cc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)s1 ZINC000663640520 732469582 /nfs/dbraw/zinc/46/95/82/732469582.db2.gz IAILKJRDVPHEDE-ZFWWWQNUSA-N 1 3 354.564 2.997 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878161318 732491115 /nfs/dbraw/zinc/49/11/15/732491115.db2.gz ODLCRUOQWUJTLO-LSDHHAIUSA-N 1 3 351.922 2.974 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000665287238 732687249 /nfs/dbraw/zinc/68/72/49/732687249.db2.gz GDJNCTLYLJLRTD-CQSZACIVSA-N 1 3 364.559 2.663 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000665761660 732752975 /nfs/dbraw/zinc/75/29/75/732752975.db2.gz MARGXDVELHHYDW-KBPBESRZSA-N 1 3 366.472 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000665761660 732752976 /nfs/dbraw/zinc/75/29/76/732752976.db2.gz MARGXDVELHHYDW-KBPBESRZSA-N 1 3 366.472 2.631 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000666989592 732927037 /nfs/dbraw/zinc/92/70/37/732927037.db2.gz FMGRGYKAAAGAPF-KRWDZBQOSA-N 1 3 362.543 2.542 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC[C@@H]1[NH3+] ZINC000669592656 733251563 /nfs/dbraw/zinc/25/15/63/733251563.db2.gz BCTWRGNOIZYMKT-JLSDUUJJSA-N 1 3 364.559 2.780 20 0 FFADHO COCC[NH+]1CCC(N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000671302404 733411115 /nfs/dbraw/zinc/41/11/15/733411115.db2.gz NCMIAXWUZWPLCC-QGZVFWFLSA-N 1 3 368.319 2.996 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000888018970 734005733 /nfs/dbraw/zinc/00/57/33/734005733.db2.gz HLGCQPUAINSTHT-OAHLLOKOSA-N 1 3 361.452 2.594 20 0 FFADHO CCC1([NH3+])CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000891322350 734414361 /nfs/dbraw/zinc/41/43/61/734414361.db2.gz OCJJHGURJNJTCN-OAHLLOKOSA-N 1 3 350.532 2.798 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000891349979 734417948 /nfs/dbraw/zinc/41/79/48/734417948.db2.gz YUPOUJDKVRLOHS-LSDHHAIUSA-N 1 3 374.501 2.675 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892522090 734568939 /nfs/dbraw/zinc/56/89/39/734568939.db2.gz PKUUUYCDTGDIBA-UHFFFAOYSA-N 1 3 364.456 2.529 20 0 FFADHO CC(C)(CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F)CS(C)(=O)=O ZINC000902407255 735943190 /nfs/dbraw/zinc/94/31/90/735943190.db2.gz XKPFNRKCPQPCMT-INIZCTEOSA-N 1 3 362.486 2.795 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000752248315 735970917 /nfs/dbraw/zinc/97/09/17/735970917.db2.gz PPRHXAHUXBSJML-UHFFFAOYSA-N 1 3 356.605 2.574 20 0 FFADHO FC(F)(F)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)nc1 ZINC000903506955 736103359 /nfs/dbraw/zinc/10/33/59/736103359.db2.gz GWZJVSWMOCGMDX-CALCHBBNSA-N 1 3 354.420 2.501 20 0 FFADHO COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1SC ZINC000903508545 736103661 /nfs/dbraw/zinc/10/36/61/736103661.db2.gz KXUOLZTWXZQWCU-HDICACEKSA-N 1 3 361.555 2.818 20 0 FFADHO COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1SC ZINC000903508545 736103667 /nfs/dbraw/zinc/10/36/67/736103667.db2.gz KXUOLZTWXZQWCU-HDICACEKSA-N 1 3 361.555 2.818 20 0 FFADHO COc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ccc1SC ZINC000903508545 736103673 /nfs/dbraw/zinc/10/36/73/736103673.db2.gz KXUOLZTWXZQWCU-HDICACEKSA-N 1 3 361.555 2.818 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000903842773 736173557 /nfs/dbraw/zinc/17/35/57/736173557.db2.gz UNQDQIITRRCTGJ-CFMVVWHZSA-N 1 3 364.287 2.514 20 0 FFADHO Cc1csc(C[C@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903954475 736194131 /nfs/dbraw/zinc/19/41/31/736194131.db2.gz SSTXSAYQEILQNK-IAGOWNOFSA-N 1 3 361.559 2.566 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)cc(OC)c3)C2)[C@H]1C(C)C ZINC000922395395 738137418 /nfs/dbraw/zinc/13/74/18/738137418.db2.gz XFVAOWNUCDCUEK-UAFMIMERSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(F)cc(OC)c3)C2)[C@H]1C(C)C ZINC000922395395 738137421 /nfs/dbraw/zinc/13/74/21/738137421.db2.gz XFVAOWNUCDCUEK-UAFMIMERSA-N 1 3 350.478 2.794 20 0 FFADHO OCCCN(Cc1ccc(Cl)c(Cl)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308840 738268816 /nfs/dbraw/zinc/26/88/16/738268816.db2.gz OVNQJMSCCYNUJJ-CQSZACIVSA-N 1 3 359.297 2.556 20 0 FFADHO COC(=O)C1=C(C)O[C@H](CN2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000778217297 738364161 /nfs/dbraw/zinc/36/41/61/738364161.db2.gz WRZQTKMAZJJOKI-SFHVURJKSA-N 1 3 350.503 2.810 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933743848 739684025 /nfs/dbraw/zinc/68/40/25/739684025.db2.gz BVHUZQFXKOGTQQ-MRRJBJDNSA-N 1 3 359.297 2.617 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933743848 739684029 /nfs/dbraw/zinc/68/40/29/739684029.db2.gz BVHUZQFXKOGTQQ-MRRJBJDNSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+](C[C@H](O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1)C1CC1 ZINC000809953418 741365894 /nfs/dbraw/zinc/36/58/94/741365894.db2.gz NPJUDCHTWPAAEO-OKZBNKHCSA-N 1 3 352.544 2.871 20 0 FFADHO C[N@@H+](C[C@H](O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1)C1CC1 ZINC000809953418 741365897 /nfs/dbraw/zinc/36/58/97/741365897.db2.gz NPJUDCHTWPAAEO-OKZBNKHCSA-N 1 3 352.544 2.871 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000810645437 741435989 /nfs/dbraw/zinc/43/59/89/741435989.db2.gz AHBCBDKBTFFTDN-RIFZZMRRSA-N 1 3 351.510 2.674 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000810645437 741435993 /nfs/dbraw/zinc/43/59/93/741435993.db2.gz AHBCBDKBTFFTDN-RIFZZMRRSA-N 1 3 351.510 2.674 20 0 FFADHO COc1ccc(C[NH+](C)C)cc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812902515 741661231 /nfs/dbraw/zinc/66/12/31/741661231.db2.gz KYMWIOMYKMXPMS-IBGZPJMESA-N 1 3 351.466 2.908 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccnc(Cl)c3)C2)CC[N@@H+]1C ZINC000999208218 742056096 /nfs/dbraw/zinc/05/60/96/742056096.db2.gz MEYLJMIBTMYGIN-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccnc(Cl)c3)C2)CC[N@H+]1C ZINC000999208218 742056098 /nfs/dbraw/zinc/05/60/98/742056098.db2.gz MEYLJMIBTMYGIN-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO COc1cc(C)c([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000817972507 742225600 /nfs/dbraw/zinc/22/56/00/742225600.db2.gz MFLWNHCXHDACCG-WMLDXEAASA-N 1 3 359.436 2.799 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(C/C=C/Cl)C3)C2)CC[N@@H+]1C ZINC001045938439 743309757 /nfs/dbraw/zinc/30/97/57/743309757.db2.gz BDHFHBYCOHWRKW-LKDVELNJSA-N 1 3 353.938 2.784 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(C/C=C/Cl)C3)C2)CC[N@H+]1C ZINC001045938439 743309767 /nfs/dbraw/zinc/30/97/67/743309767.db2.gz BDHFHBYCOHWRKW-LKDVELNJSA-N 1 3 353.938 2.784 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C(C)(F)F)CC2)CC1 ZINC000825828143 743331915 /nfs/dbraw/zinc/33/19/15/743331915.db2.gz PQQYMYOTAAOHEL-UHFFFAOYSA-N 1 3 359.505 2.980 20 0 FFADHO COCCN(CCOC)C1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000829755648 745255251 /nfs/dbraw/zinc/25/52/51/745255251.db2.gz UFXLLDJMEQLTGE-OAHLLOKOSA-N 1 3 353.334 2.630 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2CC[NH+](C3CCCC3)CC2)cc(Cl)n1 ZINC000831041471 745471753 /nfs/dbraw/zinc/47/17/53/745471753.db2.gz CBABICIWISBMGG-KRWDZBQOSA-N 1 3 364.921 2.957 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCCC[NH+]2CCCCCC2)cc(Cl)n1 ZINC000844165665 747982395 /nfs/dbraw/zinc/98/23/95/747982395.db2.gz MOVFOUWFDMKPEX-INIZCTEOSA-N 1 3 352.910 2.816 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(Cl)n1 ZINC000852854922 749965787 /nfs/dbraw/zinc/96/57/87/749965787.db2.gz BFFUUSNYXYQKLI-NVXWUHKLSA-N 1 3 364.921 2.957 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(Cl)n1 ZINC000852854922 749965791 /nfs/dbraw/zinc/96/57/91/749965791.db2.gz BFFUUSNYXYQKLI-NVXWUHKLSA-N 1 3 364.921 2.957 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001104812779 970888527 /nfs/dbraw/zinc/88/85/27/970888527.db2.gz UXJXYVFAZPGTSC-IXDOHACOSA-N 1 3 359.505 2.838 20 0 FFADHO CCn1cc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)c(-c2ccccc2)n1 ZINC000641707623 971301157 /nfs/dbraw/zinc/30/11/57/971301157.db2.gz NGUAYIJPPKSVFH-GOSISDBHSA-N 1 3 355.530 2.686 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001105067241 971445440 /nfs/dbraw/zinc/44/54/40/971445440.db2.gz SYLGYZJEOCGILF-NXHRZFHOSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993209 971737687 /nfs/dbraw/zinc/73/76/87/971737687.db2.gz FCHZIZFGZRFTIE-URVUXULASA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993209 971737693 /nfs/dbraw/zinc/73/76/93/971737693.db2.gz FCHZIZFGZRFTIE-URVUXULASA-N 1 3 369.553 2.924 20 0 FFADHO O[C@]1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCCOC1 ZINC000652046717 971783408 /nfs/dbraw/zinc/78/34/08/971783408.db2.gz YRPMHYWCOZXDGD-YSFYHYPLSA-N 1 3 358.526 2.808 20 0 FFADHO CCc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cc1 ZINC000974608304 972056239 /nfs/dbraw/zinc/05/62/39/972056239.db2.gz YRCHXLFBXFFKPS-NSISKUIASA-N 1 3 357.542 2.916 20 0 FFADHO CCc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cc1 ZINC000974608304 972056244 /nfs/dbraw/zinc/05/62/44/972056244.db2.gz YRCHXLFBXFFKPS-NSISKUIASA-N 1 3 357.542 2.916 20 0 FFADHO C[C@@H](CC[N@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1)CC(C)(C)C ZINC001275887773 1013139603 /nfs/dbraw/zinc/13/96/03/1013139603.db2.gz DESWDUSOEWXYEM-GHTZIAJQSA-N 1 3 367.578 2.561 20 0 FFADHO C[C@@H](CC[N@@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1)CC(C)(C)C ZINC001275887773 1013139595 /nfs/dbraw/zinc/13/95/95/1013139595.db2.gz DESWDUSOEWXYEM-GHTZIAJQSA-N 1 3 367.578 2.561 20 0 FFADHO Cn1ccc(N2CCC[C@H](N3CCC[C@H](C[C@H]([NH3+])C4CCCC4)C3)C2=O)n1 ZINC000872157253 1013158801 /nfs/dbraw/zinc/15/88/01/1013158801.db2.gz NWEFRZHRAFMDNM-NEWSRXKRSA-N 1 3 373.545 2.535 20 0 FFADHO CCCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000648999415 1013166530 /nfs/dbraw/zinc/16/65/30/1013166530.db2.gz BZIPIROHDUCCNW-NRFANRHFSA-N 1 3 372.557 2.532 20 0 FFADHO CCCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000648999415 1013166535 /nfs/dbraw/zinc/16/65/35/1013166535.db2.gz BZIPIROHDUCCNW-NRFANRHFSA-N 1 3 372.557 2.532 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N(C)Cc1ccccc1 ZINC000660635745 972398952 /nfs/dbraw/zinc/39/89/52/972398952.db2.gz KHUMIKCEXKYOOX-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N(C)Cc1ccccc1 ZINC000660635745 972398958 /nfs/dbraw/zinc/39/89/58/972398958.db2.gz KHUMIKCEXKYOOX-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000655273977 959692802 /nfs/dbraw/zinc/69/28/02/959692802.db2.gz UOJNRPKCXLXCMB-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000655273977 959692813 /nfs/dbraw/zinc/69/28/13/959692813.db2.gz UOJNRPKCXLXCMB-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO OC1(C[NH2+]C[C@H]2Cc3ccccc3O2)CCN(Cc2ccccc2)CC1 ZINC000397509188 961050180 /nfs/dbraw/zinc/05/01/80/961050180.db2.gz JLYZJIULULIRFS-HXUWFJFHSA-N 1 3 352.478 2.607 20 0 FFADHO COc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2n1 ZINC000655720237 961145004 /nfs/dbraw/zinc/14/50/04/961145004.db2.gz QRJCLNPFEOJXQH-SFHVURJKSA-N 1 3 355.482 2.976 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2F)CC[N@@H+]1C ZINC001021262560 961342981 /nfs/dbraw/zinc/34/29/81/961342981.db2.gz QANVTLSXIAXYMQ-JUFRUHRKSA-N 1 3 359.489 2.778 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2F)CC[N@H+]1C ZINC001021262560 961342998 /nfs/dbraw/zinc/34/29/98/961342998.db2.gz QANVTLSXIAXYMQ-JUFRUHRKSA-N 1 3 359.489 2.778 20 0 FFADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461188 961387108 /nfs/dbraw/zinc/38/71/08/961387108.db2.gz YYFBGMIAPCJJJE-WMQCIHAUSA-N 1 3 355.526 2.735 20 0 FFADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461188 961387126 /nfs/dbraw/zinc/38/71/26/961387126.db2.gz YYFBGMIAPCJJJE-WMQCIHAUSA-N 1 3 355.526 2.735 20 0 FFADHO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000655826147 961469260 /nfs/dbraw/zinc/46/92/60/961469260.db2.gz FJVZDCBWUAZLNR-LWYYNNOASA-N 1 3 365.525 2.563 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000683929738 962736801 /nfs/dbraw/zinc/73/68/01/962736801.db2.gz PMIYQTAYVPZNRE-UHFFFAOYSA-N 1 3 350.466 2.749 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(C)c(C)s2)C1)N(C)C ZINC001104347368 963699376 /nfs/dbraw/zinc/69/93/76/963699376.db2.gz WZXRNDMMMLYDFD-KBRIMQKVSA-N 1 3 366.575 2.674 20 0 FFADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242985 1013442462 /nfs/dbraw/zinc/44/24/62/1013442462.db2.gz HNKDNUCEDNLFMB-GOSISDBHSA-N 1 3 367.428 2.651 20 0 FFADHO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873246920 1013446948 /nfs/dbraw/zinc/44/69/48/1013446948.db2.gz DNDBFEZGYWQNPJ-HNNXBMFYSA-N 1 3 351.454 2.976 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1F ZINC000873247573 1013447119 /nfs/dbraw/zinc/44/71/19/1013447119.db2.gz PSAFJLXKCPYKPS-CYBMUJFWSA-N 1 3 355.417 2.725 20 0 FFADHO CC(C)C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccn1 ZINC000873247389 1013447194 /nfs/dbraw/zinc/44/71/94/1013447194.db2.gz LWNBUQXANSTUPV-FQEVSTJZSA-N 1 3 350.470 2.998 20 0 FFADHO CC(C)C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccccn1 ZINC000873247390 1013447339 /nfs/dbraw/zinc/44/73/39/1013447339.db2.gz LWNBUQXANSTUPV-HXUWFJFHSA-N 1 3 350.470 2.998 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873304835 1013471528 /nfs/dbraw/zinc/47/15/28/1013471528.db2.gz AYTHWNSSZUMQPJ-AZUAARDMSA-N 1 3 374.554 2.684 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3cc4ccccc4o3)C2)CC[N@@H+]1C ZINC000971561003 964177180 /nfs/dbraw/zinc/17/71/80/964177180.db2.gz QDFOWWYOBARCDA-HHXXYDBFSA-N 1 3 355.482 2.806 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3cc4ccccc4o3)C2)CC[N@H+]1C ZINC000971561003 964177189 /nfs/dbraw/zinc/17/71/89/964177189.db2.gz QDFOWWYOBARCDA-HHXXYDBFSA-N 1 3 355.482 2.806 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1 ZINC001087165869 964471807 /nfs/dbraw/zinc/47/18/07/964471807.db2.gz OIZIKBAIQBPUGS-HOJAQTOUSA-N 1 3 358.530 2.671 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccn1 ZINC001087165869 964471813 /nfs/dbraw/zinc/47/18/13/964471813.db2.gz OIZIKBAIQBPUGS-HOJAQTOUSA-N 1 3 358.530 2.671 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cncs2)CC[N@@H+]1C ZINC001087168298 964811847 /nfs/dbraw/zinc/81/18/47/964811847.db2.gz DSMGOYPXRDJNQL-MXSMSXNCSA-N 1 3 364.559 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cncs2)CC[N@H+]1C ZINC001087168298 964811858 /nfs/dbraw/zinc/81/18/58/964811858.db2.gz DSMGOYPXRDJNQL-MXSMSXNCSA-N 1 3 364.559 2.590 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664714487 965026313 /nfs/dbraw/zinc/02/63/13/965026313.db2.gz ABJFGJRNYNAKFY-TZIWHRDSSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664714487 965026317 /nfs/dbraw/zinc/02/63/17/965026317.db2.gz ABJFGJRNYNAKFY-TZIWHRDSSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)C1=CCN(C)CC1 ZINC000891764845 965040401 /nfs/dbraw/zinc/04/04/01/965040401.db2.gz HYVDBZMRJWQPAQ-ABSDTBQOSA-N 1 3 362.562 2.966 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1c(C)nsc1C)N(C)C ZINC001087181358 965291316 /nfs/dbraw/zinc/29/13/16/965291316.db2.gz NNNVLDBDPCZZHX-RPVQJOFSSA-N 1 3 366.575 2.817 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](CNCc2ccccn2)C1 ZINC001087194413 965728262 /nfs/dbraw/zinc/72/82/62/965728262.db2.gz TYSTVGMPLSWDRX-JRGCBEDISA-N 1 3 370.541 2.673 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000648169567 965930061 /nfs/dbraw/zinc/93/00/61/965930061.db2.gz XZGYGZDAURUSCS-LMNJBCLMSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCC23CC[NH+](C)CC3)CCN1Cc1ccccc1 ZINC000894883886 966071103 /nfs/dbraw/zinc/07/11/03/966071103.db2.gz BGVUCXDLLRBANQ-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO COC[C@H](C)Oc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000657363736 966298513 /nfs/dbraw/zinc/29/85/13/966298513.db2.gz BAMWOAYWKJLREJ-HKUYNNGSSA-N 1 3 362.514 2.691 20 0 FFADHO CN1CC[C@](O)(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC000657434379 966528169 /nfs/dbraw/zinc/52/81/69/966528169.db2.gz HAIXVFUIVJBMQM-FQEVSTJZSA-N 1 3 362.420 2.700 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001087219813 966756704 /nfs/dbraw/zinc/75/67/04/966756704.db2.gz PKEMHFOGHOUTIN-IERDGZPVSA-N 1 3 366.509 2.858 20 0 FFADHO C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](CNCc2cncs2)C1 ZINC001087222518 966920489 /nfs/dbraw/zinc/92/04/89/966920489.db2.gz FOSNJAKQSCZQLB-WBVHZDCISA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cc(C2CC2)ccc1F ZINC000664982408 967172111 /nfs/dbraw/zinc/17/21/11/967172111.db2.gz UTIQMBYWRCSWRM-HNNXBMFYSA-N 1 3 364.509 2.774 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cc(C2CC2)ccc1F ZINC000664982408 967172118 /nfs/dbraw/zinc/17/21/18/967172118.db2.gz UTIQMBYWRCSWRM-HNNXBMFYSA-N 1 3 364.509 2.774 20 0 FFADHO CC(=O)N(C)C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000092538940 967407653 /nfs/dbraw/zinc/40/76/53/967407653.db2.gz DHLROCCIHUWALK-UHFFFAOYSA-N 1 3 359.514 2.604 20 0 FFADHO c1ccc(COc2ccccc2CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262126330 967609624 /nfs/dbraw/zinc/60/96/24/967609624.db2.gz MZYATARXZSDQAR-OAQYLSRUSA-N 1 3 351.494 2.745 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112159970 967647497 /nfs/dbraw/zinc/64/74/97/967647497.db2.gz JZDGLCNCVHLTTB-BZUAXINKSA-N 1 3 365.484 2.988 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN(C2CCOCC2)CC1 ZINC000129776579 967667519 /nfs/dbraw/zinc/66/75/19/967667519.db2.gz LYECWDGQRXSRDS-UHFFFAOYSA-N 1 3 359.558 2.941 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN(C2CCOCC2)CC1 ZINC000129776579 967667531 /nfs/dbraw/zinc/66/75/31/967667531.db2.gz LYECWDGQRXSRDS-UHFFFAOYSA-N 1 3 359.558 2.941 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNCc2ccc(F)cc2F)C1 ZINC001087245030 967979390 /nfs/dbraw/zinc/97/93/90/967979390.db2.gz BIACLVLNMIWKHQ-KYJSFNMBSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNCc2ccc(F)cc2F)C1 ZINC001087245030 967979398 /nfs/dbraw/zinc/97/93/98/967979398.db2.gz BIACLVLNMIWKHQ-KYJSFNMBSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001087245871 968006180 /nfs/dbraw/zinc/00/61/80/968006180.db2.gz OGORMTQWXOQEFH-WBVHZDCISA-N 1 3 364.921 2.548 20 0 FFADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657841424 968013331 /nfs/dbraw/zinc/01/33/31/968013331.db2.gz PSKSPMFBRCZDFR-NRFANRHFSA-N 1 3 357.542 2.886 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166532 968373642 /nfs/dbraw/zinc/37/36/42/968373642.db2.gz ZGOIOFQIUPETIB-FVQBIDKESA-N 1 3 363.468 2.886 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001023993490 968403644 /nfs/dbraw/zinc/40/36/44/968403644.db2.gz GSGIVWKGZQYUGG-BZUAXINKSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001023993490 968403650 /nfs/dbraw/zinc/40/36/50/968403650.db2.gz GSGIVWKGZQYUGG-BZUAXINKSA-N 1 3 365.468 2.633 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001087671625 968565829 /nfs/dbraw/zinc/56/58/29/968565829.db2.gz HUPQBPWRRARLQR-KSZLIROESA-N 1 3 369.500 2.875 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CC(F)(F)C1 ZINC001087671625 968565834 /nfs/dbraw/zinc/56/58/34/968565834.db2.gz HUPQBPWRRARLQR-KSZLIROESA-N 1 3 369.500 2.875 20 0 FFADHO C[C@H]1CC([NH2+]C2CN(c3cnccn3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168023099 969096703 /nfs/dbraw/zinc/09/67/03/969096703.db2.gz VHTQSCWGOYGZPJ-IRXDYDNUSA-N 1 3 351.498 2.696 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177264030 969152830 /nfs/dbraw/zinc/15/28/30/969152830.db2.gz WUHROWHRWUSPMD-IRXDYDNUSA-N 1 3 369.550 2.865 20 0 FFADHO [NH3+]Cc1cccc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000659017552 969630824 /nfs/dbraw/zinc/63/08/24/969630824.db2.gz GDIJASMVEPUCTG-UHFFFAOYSA-N 1 3 353.470 2.574 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)c2ccccc2O1 ZINC000659286290 969799088 /nfs/dbraw/zinc/79/90/88/969799088.db2.gz XDXQIAAZPOIINU-SJLPKXTDSA-N 1 3 351.450 2.577 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659426729 969917922 /nfs/dbraw/zinc/91/79/22/969917922.db2.gz BODYYTLVOUPCIZ-SFTDATJTSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001104676528 970083939 /nfs/dbraw/zinc/08/39/39/970083939.db2.gz NZEGXOQXHPEWOX-HLLBOEOZSA-N 1 3 357.489 2.590 20 0 FFADHO CCCc1nc(C)c(CN2CC[C@H](NC(=O)CN3CCCC3)[C@H]2CC)o1 ZINC001087829419 970459343 /nfs/dbraw/zinc/45/93/43/970459343.db2.gz AZSDWYFGUHSFQH-DLBZAZTESA-N 1 3 362.518 2.500 20 0 FFADHO CCCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)CN3CCCC3)[C@H]2CC)o1 ZINC001087829419 970459348 /nfs/dbraw/zinc/45/93/48/970459348.db2.gz AZSDWYFGUHSFQH-DLBZAZTESA-N 1 3 362.518 2.500 20 0 FFADHO CCCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)CN3CCCC3)[C@H]2CC)o1 ZINC001087829419 970459353 /nfs/dbraw/zinc/45/93/53/970459353.db2.gz AZSDWYFGUHSFQH-DLBZAZTESA-N 1 3 362.518 2.500 20 0 FFADHO COc1ccc2nccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000893047403 970537078 /nfs/dbraw/zinc/53/70/78/970537078.db2.gz MWIBICDXWSQMPP-OXJNMPFZSA-N 1 3 354.498 2.706 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@@H]3C2)c1 ZINC001088106305 972809600 /nfs/dbraw/zinc/80/96/00/972809600.db2.gz VEVFUOOWKWKHOU-NRSPTQNISA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@@H]3C2)c1 ZINC001088106305 972809610 /nfs/dbraw/zinc/80/96/10/972809610.db2.gz VEVFUOOWKWKHOU-NRSPTQNISA-N 1 3 355.526 2.760 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088105791 972820669 /nfs/dbraw/zinc/82/06/69/972820669.db2.gz CQPXAZXOANIZFJ-UHOSZYNNSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001088105791 972820682 /nfs/dbraw/zinc/82/06/82/972820682.db2.gz CQPXAZXOANIZFJ-UHOSZYNNSA-N 1 3 359.489 2.590 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000896960498 973079659 /nfs/dbraw/zinc/07/96/59/973079659.db2.gz WHAONWFVKYJNOB-PXNSSMCTSA-N 1 3 361.530 2.828 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000896960498 973079672 /nfs/dbraw/zinc/07/96/72/973079672.db2.gz WHAONWFVKYJNOB-PXNSSMCTSA-N 1 3 361.530 2.828 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001088211410 973667379 /nfs/dbraw/zinc/66/73/79/973667379.db2.gz IILKYXRXTFKALC-CVEARBPZSA-N 1 3 361.452 2.595 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000893439399 973966017 /nfs/dbraw/zinc/96/60/17/973966017.db2.gz FQKJWQTULCCENQ-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000893439399 973966027 /nfs/dbraw/zinc/96/60/27/973966027.db2.gz FQKJWQTULCCENQ-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000665758594 974085522 /nfs/dbraw/zinc/08/55/22/974085522.db2.gz KHMAHGCITDGDLV-ICSRJNTNSA-N 1 3 360.546 2.533 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000665758594 974085527 /nfs/dbraw/zinc/08/55/27/974085527.db2.gz KHMAHGCITDGDLV-ICSRJNTNSA-N 1 3 360.546 2.533 20 0 FFADHO Cc1ccccc1C[C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762661 974097161 /nfs/dbraw/zinc/09/71/61/974097161.db2.gz LZHQDBATJNDRFM-OALUTQOASA-N 1 3 362.562 2.839 20 0 FFADHO Cc1ccccc1C[C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762661 974097174 /nfs/dbraw/zinc/09/71/74/974097174.db2.gz LZHQDBATJNDRFM-OALUTQOASA-N 1 3 362.562 2.839 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2ccccc2F)C1 ZINC001211667066 974164174 /nfs/dbraw/zinc/16/41/74/974164174.db2.gz UGYYJYMSEAKCPX-PZJWPPBQSA-N 1 3 369.484 2.862 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001116039351 1032085390 /nfs/dbraw/zinc/08/53/90/1032085390.db2.gz BXJMBKPDGCIMNJ-DLBZAZTESA-N 1 3 368.591 2.520 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)ccc21 ZINC000662838712 974292804 /nfs/dbraw/zinc/29/28/04/974292804.db2.gz NNIUYFXZQJCPLI-QUCCMNQESA-N 1 3 354.498 2.737 20 0 FFADHO O=C(NCCC1CC[NH2+]CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000652152558 974638668 /nfs/dbraw/zinc/63/86/68/974638668.db2.gz QSWKUIDVXCMFOI-FQEVSTJZSA-N 1 3 358.530 2.903 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000313836287 974642517 /nfs/dbraw/zinc/64/25/17/974642517.db2.gz NMRJELVHBBGWPE-YUVXSKOASA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000313836287 974642520 /nfs/dbraw/zinc/64/25/20/974642520.db2.gz NMRJELVHBBGWPE-YUVXSKOASA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000313836287 974642522 /nfs/dbraw/zinc/64/25/22/974642522.db2.gz NMRJELVHBBGWPE-YUVXSKOASA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[C@H](C)O1 ZINC000313836287 974642525 /nfs/dbraw/zinc/64/25/25/974642525.db2.gz NMRJELVHBBGWPE-YUVXSKOASA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)CCN1Cc1ccccc1 ZINC000652192513 974690580 /nfs/dbraw/zinc/69/05/80/974690580.db2.gz CTKXIUHIUWAHJX-FOIQADDNSA-N 1 3 370.472 2.747 20 0 FFADHO COc1cc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)ccc1OC(F)F ZINC000662248928 975380245 /nfs/dbraw/zinc/38/02/45/975380245.db2.gz LYIVXXXODFDFNN-HNNXBMFYSA-N 1 3 368.424 2.782 20 0 FFADHO CN(C)[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)Cc1ccccc1 ZINC000662347240 975448582 /nfs/dbraw/zinc/44/85/82/975448582.db2.gz ZCHFIMCETPQALO-SFTDATJTSA-N 1 3 365.521 2.968 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCF)CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC001087428309 975624304 /nfs/dbraw/zinc/62/43/04/975624304.db2.gz XYZNTTVOHKVGCA-VBSBHUPXSA-N 1 3 361.505 2.661 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCF)CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC001087428309 975624310 /nfs/dbraw/zinc/62/43/10/975624310.db2.gz XYZNTTVOHKVGCA-VBSBHUPXSA-N 1 3 361.505 2.661 20 0 FFADHO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151435067 976299810 /nfs/dbraw/zinc/29/98/10/976299810.db2.gz SEWOTSOZTPXCOD-LEWJYISDSA-N 1 3 355.526 2.773 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCCC1CCOCC1 ZINC001088791866 976306540 /nfs/dbraw/zinc/30/65/40/976306540.db2.gz HOABFDLBHKOOSN-MJGOQNOKSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCCC1CCOCC1 ZINC001088791866 976306555 /nfs/dbraw/zinc/30/65/55/976306555.db2.gz HOABFDLBHKOOSN-MJGOQNOKSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCc3ccc(C)cc3)CC2)CC[N@@H+]1C ZINC000981200565 976340942 /nfs/dbraw/zinc/34/09/42/976340942.db2.gz USVWLQJFSZPKQW-LEWJYISDSA-N 1 3 357.542 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCc3ccc(C)cc3)CC2)CC[N@H+]1C ZINC000981200565 976340952 /nfs/dbraw/zinc/34/09/52/976340952.db2.gz USVWLQJFSZPKQW-LEWJYISDSA-N 1 3 357.542 2.802 20 0 FFADHO COc1ccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)cc1 ZINC000990760656 976949561 /nfs/dbraw/zinc/94/95/61/976949561.db2.gz GWULOWGDOZALTH-KREFBHGWSA-N 1 3 371.525 2.649 20 0 FFADHO COc1ccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)cc1 ZINC000990760656 976949568 /nfs/dbraw/zinc/94/95/68/976949568.db2.gz GWULOWGDOZALTH-KREFBHGWSA-N 1 3 371.525 2.649 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000667790799 977033615 /nfs/dbraw/zinc/03/36/15/977033615.db2.gz BYUSHKQYIKRPKY-HXUWFJFHSA-N 1 3 365.481 2.686 20 0 FFADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667792575 977035525 /nfs/dbraw/zinc/03/55/25/977035525.db2.gz CWHDCCGIXPOOPF-VXKWHMMOSA-N 1 3 357.542 2.742 20 0 FFADHO C[C@H]1[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667802534 977059222 /nfs/dbraw/zinc/05/92/22/977059222.db2.gz TUFZIDBQSUEKAO-KXBFYZLASA-N 1 3 365.481 2.512 20 0 FFADHO C[C@H]1[C@@H](NC(=O)Nc2cnc3c(c2)CNCC3)CC[N@H+]1Cc1ccccc1 ZINC000667802534 977059231 /nfs/dbraw/zinc/05/92/31/977059231.db2.gz TUFZIDBQSUEKAO-KXBFYZLASA-N 1 3 365.481 2.512 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)/C=C\[C@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000876780642 1014389285 /nfs/dbraw/zinc/38/92/85/1014389285.db2.gz XMMXEPUYRLCNOI-OTIVFRFGSA-N 1 3 356.514 2.631 20 0 FFADHO CC(C)(C)OC(=O)N1CCSC[C@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168366296 977441578 /nfs/dbraw/zinc/44/15/78/977441578.db2.gz NXUXEQNZMDXVNM-QGZVFWFLSA-N 1 3 369.575 2.803 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)c2)CC1 ZINC000876896683 1014412259 /nfs/dbraw/zinc/41/22/59/1014412259.db2.gz KPMLYNLWMONVRT-CTNGQTDRSA-N 1 3 356.514 2.688 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccccc3OC3CC3)C2)CC[N@@H+]1C ZINC000968737991 1014488743 /nfs/dbraw/zinc/48/87/43/1014488743.db2.gz LWQCVOJFJUDJAZ-YZGWKJHDSA-N 1 3 371.525 2.649 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccccc3OC3CC3)C2)CC[N@H+]1C ZINC000968737991 1014488750 /nfs/dbraw/zinc/48/87/50/1014488750.db2.gz LWQCVOJFJUDJAZ-YZGWKJHDSA-N 1 3 371.525 2.649 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899143 978433314 /nfs/dbraw/zinc/43/33/14/978433314.db2.gz AUBRCLDNGCUQJS-APWZRJJASA-N 1 3 355.482 2.527 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2c(C)nsc2C)C(C)C)CC[N@@H+]1C ZINC001482530576 979088788 /nfs/dbraw/zinc/08/87/88/979088788.db2.gz CPIKBNZFZUTCHF-CGTJXYLNSA-N 1 3 366.575 2.721 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2c(C)nsc2C)C(C)C)CC[N@H+]1C ZINC001482530576 979088799 /nfs/dbraw/zinc/08/87/99/979088799.db2.gz CPIKBNZFZUTCHF-CGTJXYLNSA-N 1 3 366.575 2.721 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCc3cnoc3C)C2)CC[N@@H+]1C ZINC001088316591 979130879 /nfs/dbraw/zinc/13/08/79/979130879.db2.gz DNYVMGUFYHUSGC-CEXWTWQISA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCc3cnoc3C)C2)CC[N@H+]1C ZINC001088316591 979130881 /nfs/dbraw/zinc/13/08/81/979130881.db2.gz DNYVMGUFYHUSGC-CEXWTWQISA-N 1 3 362.518 2.574 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)[C@@H](C)C4)[C@@H]3C2)cc1 ZINC001076175832 979186851 /nfs/dbraw/zinc/18/68/51/979186851.db2.gz XRJQVLRLOPRBKP-ZIBCJSCZSA-N 1 3 355.526 2.758 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)[C@@H](C)C4)[C@@H]3C2)cc1 ZINC001076175832 979186853 /nfs/dbraw/zinc/18/68/53/979186853.db2.gz XRJQVLRLOPRBKP-ZIBCJSCZSA-N 1 3 355.526 2.758 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ccc(C5CC5)cc4)C[C@H]32)CC1 ZINC001076206431 979224040 /nfs/dbraw/zinc/22/40/40/979224040.db2.gz OHNMYSFGHSJEBT-FCHUYYIVSA-N 1 3 367.537 2.939 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(C)(C)C)cc4)C[C@H]32)C1 ZINC001076568058 979666302 /nfs/dbraw/zinc/66/63/02/979666302.db2.gz SELKNOGAQURUAS-IRFCIJBXSA-N 1 3 369.553 2.969 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(C)(C)C)cc4)C[C@H]32)C1 ZINC001076568058 979666306 /nfs/dbraw/zinc/66/63/06/979666306.db2.gz SELKNOGAQURUAS-IRFCIJBXSA-N 1 3 369.553 2.969 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@@H](NC3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001168368318 980056308 /nfs/dbraw/zinc/05/63/08/980056308.db2.gz ICVKRKPOMPUXON-QXAKKESOSA-N 1 3 361.530 2.872 20 0 FFADHO C[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)CCC[C@H]1C[NH3+] ZINC001205994011 1032098551 /nfs/dbraw/zinc/09/85/51/1032098551.db2.gz ITNJTZFDIXTQCA-NEPJUHHUSA-N 1 3 355.276 2.985 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccccc1OCc1ccccn1)CC2 ZINC000904389271 980261015 /nfs/dbraw/zinc/26/10/15/980261015.db2.gz JHQSECOVWPSLJK-FQEVSTJZSA-N 1 3 367.493 2.990 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C[C@H](O)c1ccccc1 ZINC000905098507 980381873 /nfs/dbraw/zinc/38/18/73/980381873.db2.gz SZZVOAHAPKEXOG-PMVMPFDFSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[C@H](O)c1ccccc1 ZINC000905098507 980381882 /nfs/dbraw/zinc/38/18/82/980381882.db2.gz SZZVOAHAPKEXOG-PMVMPFDFSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[C@H](O)c1ccccc1 ZINC000905098507 980381887 /nfs/dbraw/zinc/38/18/87/980381887.db2.gz SZZVOAHAPKEXOG-PMVMPFDFSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc2cc[nH]c2c1 ZINC000905153950 980388437 /nfs/dbraw/zinc/38/84/37/980388437.db2.gz IDMWBBYGOFEHIR-IBGZPJMESA-N 1 3 357.498 2.904 20 0 FFADHO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000905263260 980408434 /nfs/dbraw/zinc/40/84/34/980408434.db2.gz LUUBXRBNKFFGIQ-LEWJYISDSA-N 1 3 360.542 2.934 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000666686433 981216664 /nfs/dbraw/zinc/21/66/64/981216664.db2.gz PORUAIJQAYECRE-HOTGVXAUSA-N 1 3 372.538 2.673 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000666686433 981216667 /nfs/dbraw/zinc/21/66/67/981216667.db2.gz PORUAIJQAYECRE-HOTGVXAUSA-N 1 3 372.538 2.673 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000666754716 981355476 /nfs/dbraw/zinc/35/54/76/981355476.db2.gz RZNYTYDOAIQDEF-LPHOPBHVSA-N 1 3 364.509 2.848 20 0 FFADHO c1cc2n(n1)C[C@@H](C[NH2+]C[C@H]1CN(Cc3ccccc3)CC13CCC3)CN2 ZINC000668713416 981501930 /nfs/dbraw/zinc/50/19/30/981501930.db2.gz PCRMPHZVFHOPBW-PMACEKPBSA-N 1 3 365.525 2.817 20 0 FFADHO COc1cc2c(c(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000237387246 981541580 /nfs/dbraw/zinc/54/15/80/981541580.db2.gz AGKHZRDINYPASB-YESZJQIVSA-N 1 3 362.514 2.998 20 0 FFADHO COc1cccc(-c2n[nH]cc2CNCCC[NH2+]Cc2cccnc2)c1 ZINC000666805560 981627908 /nfs/dbraw/zinc/62/79/08/981627908.db2.gz DGIRDKDUZVBKTE-UHFFFAOYSA-N 1 3 351.454 2.750 20 0 FFADHO C[NH+]1CCC(NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000878182270 1014903915 /nfs/dbraw/zinc/90/39/15/1014903915.db2.gz FILPNPADPFQWNX-RTWAWAEBSA-N 1 3 373.541 2.565 20 0 FFADHO C[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878323847 1014985436 /nfs/dbraw/zinc/98/54/36/1014985436.db2.gz DWQDVDQEBJCJNI-ZDFPQIBNSA-N 1 3 357.542 2.865 20 0 FFADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001272744412 984037027 /nfs/dbraw/zinc/03/70/27/984037027.db2.gz DTWXCFNZHUBGAB-LJQANCHMSA-N 1 3 358.530 2.704 20 0 FFADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001272744412 984037034 /nfs/dbraw/zinc/03/70/34/984037034.db2.gz DTWXCFNZHUBGAB-LJQANCHMSA-N 1 3 358.530 2.704 20 0 FFADHO C[C@@H]1CN(Cc2c3c(ccc2Br)OCO3)CCC[C@H]1C[NH3+] ZINC001206011106 1032108255 /nfs/dbraw/zinc/10/82/55/1032108255.db2.gz ACZKNHZAPRDUTI-NEPJUHHUSA-N 1 3 355.276 2.985 20 0 FFADHO C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000913398235 984254849 /nfs/dbraw/zinc/25/48/49/984254849.db2.gz IFXWNLQWGXIWEJ-GOSISDBHSA-N 1 3 361.505 2.980 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(O)c(C)c3)CC2)CC1 ZINC000913527649 984293019 /nfs/dbraw/zinc/29/30/19/984293019.db2.gz UNISMWNOFIZGBM-UHFFFAOYSA-N 1 3 359.514 2.860 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4ccncc4c3)CC2)CC1 ZINC000651207157 1015047469 /nfs/dbraw/zinc/04/74/69/1015047469.db2.gz JUNJSMASRJQQCQ-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107442317 984543374 /nfs/dbraw/zinc/54/33/74/984543374.db2.gz BBPJJWCXGNRACR-KCQQMIRUSA-N 1 3 353.938 2.974 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107442317 984543376 /nfs/dbraw/zinc/54/33/76/984543376.db2.gz BBPJJWCXGNRACR-KCQQMIRUSA-N 1 3 353.938 2.974 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)N2CCCC2)cc1 ZINC000669427474 984573110 /nfs/dbraw/zinc/57/31/10/984573110.db2.gz KFILXGKKFZIUFH-RLLQIKCJSA-N 1 3 356.514 2.525 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483632 984651663 /nfs/dbraw/zinc/65/16/63/984651663.db2.gz FYLYRBQERCXYOT-PXNSSMCTSA-N 1 3 358.530 2.982 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncccc1C)CC2)N(C)C ZINC001107551097 984670199 /nfs/dbraw/zinc/67/01/99/984670199.db2.gz XKZIIFITJLVXNH-QKNQBKEWSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncccc1C)CC2)N(C)C ZINC001107551097 984670204 /nfs/dbraw/zinc/67/02/04/984670204.db2.gz XKZIIFITJLVXNH-QKNQBKEWSA-N 1 3 358.530 2.591 20 0 FFADHO C[NH+]1CCC(CC(=O)NC[C@]23CCC[C@H]2N(Cc2ccccn2)CC3)CC1 ZINC001107568018 984714811 /nfs/dbraw/zinc/71/48/11/984714811.db2.gz ROJAUOSYCOVQGT-IFMALSPDSA-N 1 3 370.541 2.674 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000669545761 984760527 /nfs/dbraw/zinc/76/05/27/984760527.db2.gz CJWQYKDYFJPHTH-XSDIEEQYSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC1CCCC1 ZINC001088860607 985084795 /nfs/dbraw/zinc/08/47/95/985084795.db2.gz TTXDEIICDVSGBH-SYNHAJSKSA-N 1 3 353.526 2.968 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC1CCCC1 ZINC001088860607 985084805 /nfs/dbraw/zinc/08/48/05/985084805.db2.gz TTXDEIICDVSGBH-SYNHAJSKSA-N 1 3 353.526 2.968 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCOC1CCCCCC1 ZINC001088981060 985744213 /nfs/dbraw/zinc/74/42/13/985744213.db2.gz AQZBWKVLKSWTIW-HBFSDRIKSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCOC1CCCCCC1 ZINC001088981060 985744222 /nfs/dbraw/zinc/74/42/22/985744222.db2.gz AQZBWKVLKSWTIW-HBFSDRIKSA-N 1 3 365.562 2.647 20 0 FFADHO COCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001112540073 986423902 /nfs/dbraw/zinc/42/39/02/986423902.db2.gz DRRSLIORULZSKB-DYXWJJEUSA-N 1 3 365.562 2.506 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCF)C1 ZINC001112540055 986423919 /nfs/dbraw/zinc/42/39/19/986423919.db2.gz CRVWEISRXYWRAL-BJLQDIEVSA-N 1 3 353.526 2.827 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000672754114 987576645 /nfs/dbraw/zinc/57/66/45/987576645.db2.gz PNEODKMANDAKEU-VQTJNVASSA-N 1 3 360.546 2.881 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1OC ZINC001212486816 987681964 /nfs/dbraw/zinc/68/19/64/987681964.db2.gz FKNGFKLNFVCYKK-QZTJIDSGSA-N 1 3 353.551 2.503 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1OC ZINC001212486816 987681968 /nfs/dbraw/zinc/68/19/68/987681968.db2.gz FKNGFKLNFVCYKK-QZTJIDSGSA-N 1 3 353.551 2.503 20 0 FFADHO Cc1ccccc1CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249459 987756422 /nfs/dbraw/zinc/75/64/22/987756422.db2.gz IIDOPZXFXGVVJS-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(CCC[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001106249174 987758420 /nfs/dbraw/zinc/75/84/20/987758420.db2.gz BILSPHNPGLYYQX-STZQEDGTSA-N 1 3 371.569 2.952 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1)N(C)C ZINC001106312330 987945283 /nfs/dbraw/zinc/94/52/83/987945283.db2.gz CDGYETSHHMVXOF-SZVBFZGTSA-N 1 3 365.949 2.907 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2sc(C)nc2C)[C@H](C)C1 ZINC001106339325 987981267 /nfs/dbraw/zinc/98/12/67/987981267.db2.gz GAKKLXGCFAJPME-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccncc2Cl)[C@H](C)C1 ZINC001106339549 987981561 /nfs/dbraw/zinc/98/15/61/987981561.db2.gz RKETXZRTXIKBSZ-GDBMZVCRSA-N 1 3 366.937 2.649 20 0 FFADHO COC(=O)c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000922234412 988218231 /nfs/dbraw/zinc/21/82/31/988218231.db2.gz KTLOAUCNVZIVNK-UHFFFAOYSA-N 1 3 364.461 2.593 20 0 FFADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1c(F)cccc1F ZINC001106622974 988525445 /nfs/dbraw/zinc/52/54/45/988525445.db2.gz ANEIKMAIPKVHOG-QLFBSQMISA-N 1 3 353.457 2.662 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922386826 988543505 /nfs/dbraw/zinc/54/35/05/988543505.db2.gz JBBBHBXERCWLQC-YUMYIRISSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922386826 988543507 /nfs/dbraw/zinc/54/35/07/988543507.db2.gz JBBBHBXERCWLQC-YUMYIRISSA-N 1 3 368.525 2.750 20 0 FFADHO COc1cc2c(c(CN[C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)c1)O[C@H](C)C2 ZINC000922390085 988545654 /nfs/dbraw/zinc/54/56/54/988545654.db2.gz XGOBQUBVBDZBSC-BOCGTDMKSA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(c(CN[C@@H]3C[C@@]4(C[N@@H+](C)[C@@H]4C(C)C)C[C@H]3O)c1)O[C@H](C)C2 ZINC000922390085 988545660 /nfs/dbraw/zinc/54/56/60/988545660.db2.gz XGOBQUBVBDZBSC-BOCGTDMKSA-N 1 3 374.525 2.588 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCCO2)[C@H](C)C1 ZINC001106775647 989019962 /nfs/dbraw/zinc/01/99/62/989019962.db2.gz VSLDAMIXXWVKBD-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000652179568 1015489759 /nfs/dbraw/zinc/48/97/59/1015489759.db2.gz RQUQCDQTNWCJSI-UTKZUKDTSA-N 1 3 366.509 2.726 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000675113693 990052606 /nfs/dbraw/zinc/05/26/06/990052606.db2.gz ODSVNQOYEDXECF-NQIIRXRSSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000675113693 990052609 /nfs/dbraw/zinc/05/26/09/990052609.db2.gz ODSVNQOYEDXECF-NQIIRXRSSA-N 1 3 370.541 2.695 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3nc4ccccc4o3)CC2)CC[N@@H+]1C ZINC001034647630 990149872 /nfs/dbraw/zinc/14/98/72/990149872.db2.gz OBWARQRUKAKRCD-QBPKDAKJSA-N 1 3 370.497 2.685 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3nc4ccccc4o3)CC2)CC[N@H+]1C ZINC001034647630 990149874 /nfs/dbraw/zinc/14/98/74/990149874.db2.gz OBWARQRUKAKRCD-QBPKDAKJSA-N 1 3 370.497 2.685 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000675882901 990412812 /nfs/dbraw/zinc/41/28/12/990412812.db2.gz UVXKJFPYEZTLGO-QHCPKHFHSA-N 1 3 371.569 2.927 20 0 FFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235486 990516192 /nfs/dbraw/zinc/51/61/92/990516192.db2.gz IUHXLGXYQLOFJN-UYAOXDASSA-N 1 3 371.525 2.566 20 0 FFADHO S=C(NCCC[NH+]1CCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000920307282 990830120 /nfs/dbraw/zinc/83/01/20/990830120.db2.gz IILDYEMPYQDNPX-UHFFFAOYSA-N 1 3 374.598 2.991 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2)[C@H](C)C1 ZINC001106907736 991435932 /nfs/dbraw/zinc/43/59/32/991435932.db2.gz AGLFNGXXGNMJFB-ZIFCJYIRSA-N 1 3 361.530 2.782 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccccc2CC)[C@H](C)C1 ZINC001106910551 991523545 /nfs/dbraw/zinc/52/35/45/991523545.db2.gz CSYVRQCVDHCDRI-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC001106910618 991525208 /nfs/dbraw/zinc/52/52/08/991525208.db2.gz GTTJORWSFQZUIP-GDBMZVCRSA-N 1 3 367.921 2.572 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2cccc(C)c2)[C@H](C)C1 ZINC001106910878 991536027 /nfs/dbraw/zinc/53/60/27/991536027.db2.gz SYPIGOYVIBYOFZ-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CC(C)Oc1ccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1Cl ZINC001127638305 991829782 /nfs/dbraw/zinc/82/97/82/991829782.db2.gz JEYDBZQEOKHKEQ-GDBMZVCRSA-N 1 3 367.921 2.673 20 0 FFADHO CC(C)Oc1ccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1Cl ZINC001127638305 991829816 /nfs/dbraw/zinc/82/98/16/991829816.db2.gz JEYDBZQEOKHKEQ-GDBMZVCRSA-N 1 3 367.921 2.673 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079159106 991862782 /nfs/dbraw/zinc/86/27/82/991862782.db2.gz KKZYGEDYBSEXIH-FFZOFVMBSA-N 1 3 361.505 2.994 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CNCc2ccccc21 ZINC000382732421 991992755 /nfs/dbraw/zinc/99/27/55/991992755.db2.gz CTGJINGDJKBHCI-UGKGYDQZSA-N 1 3 363.505 2.854 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CNCc2ccccc21 ZINC000382732421 991992761 /nfs/dbraw/zinc/99/27/61/991992761.db2.gz CTGJINGDJKBHCI-UGKGYDQZSA-N 1 3 363.505 2.854 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC001107042201 993295354 /nfs/dbraw/zinc/29/53/54/993295354.db2.gz AAOXBASAKAYPPI-SJLPKXTDSA-N 1 3 365.949 2.907 20 0 FFADHO CC(C)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001080787750 993374204 /nfs/dbraw/zinc/37/42/04/993374204.db2.gz PYKOINDXQHLMBI-YLJYHZDGSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935472 993489739 /nfs/dbraw/zinc/48/97/39/993489739.db2.gz WISZMBFMXTZFIE-IMFGXOCKSA-N 1 3 357.542 2.872 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935472 993489743 /nfs/dbraw/zinc/48/97/43/993489743.db2.gz WISZMBFMXTZFIE-IMFGXOCKSA-N 1 3 357.542 2.872 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001081179979 993739594 /nfs/dbraw/zinc/73/95/94/993739594.db2.gz VDHNAYIJHWLKKW-DZFGPLHGSA-N 1 3 355.526 2.713 20 0 FFADHO CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001082059656 994138433 /nfs/dbraw/zinc/13/84/33/994138433.db2.gz ZBLIMUQVDQOGSG-HSALFYBXSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001082059656 994138439 /nfs/dbraw/zinc/13/84/39/994138439.db2.gz ZBLIMUQVDQOGSG-HSALFYBXSA-N 1 3 365.562 2.645 20 0 FFADHO CC1(N2CCC2)CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000880472384 1015843982 /nfs/dbraw/zinc/84/39/82/1015843982.db2.gz MASYPXNOPXJDMT-UHFFFAOYSA-N 1 3 355.482 2.623 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1NCc1cccnc1 ZINC001082513710 994830995 /nfs/dbraw/zinc/83/09/95/994830995.db2.gz ZRGAXJYYBKRFLS-YFVAEKQCSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1NCc1cccnc1 ZINC001082513710 994831003 /nfs/dbraw/zinc/83/10/03/994831003.db2.gz ZRGAXJYYBKRFLS-YFVAEKQCSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810678830 994876441 /nfs/dbraw/zinc/87/64/41/994876441.db2.gz DPNXCAZGNVEBLT-MMOPVJDHSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810678830 994876445 /nfs/dbraw/zinc/87/64/45/994876445.db2.gz DPNXCAZGNVEBLT-MMOPVJDHSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC001082557604 994928142 /nfs/dbraw/zinc/92/81/42/994928142.db2.gz SFUBEYSGQGRJTL-NSISKUIASA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC001082559832 994934700 /nfs/dbraw/zinc/93/47/00/994934700.db2.gz QJRVPSMRWUXKEC-QFIXIFRTSA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC001082561751 994943681 /nfs/dbraw/zinc/94/36/81/994943681.db2.gz ORMYJXBSOAXSRH-TYCQWZJGSA-N 1 3 355.526 2.985 20 0 FFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001082561785 994944349 /nfs/dbraw/zinc/94/43/49/994944349.db2.gz QDRIDCCXRPJGKO-GQIGUUNPSA-N 1 3 359.514 2.677 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3ncccc3c2)C1)N(C)C ZINC001082574946 994996927 /nfs/dbraw/zinc/99/69/27/994996927.db2.gz BKBILRIQQJVIMJ-HBGVWJBISA-N 1 3 368.525 2.758 20 0 FFADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCc1ccccc1Cl ZINC001082617333 995082765 /nfs/dbraw/zinc/08/27/65/995082765.db2.gz MEHOWNFTHBQHNT-CRAIPNDOSA-N 1 3 361.917 2.905 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001082612348 995087928 /nfs/dbraw/zinc/08/79/28/995087928.db2.gz IRJITRJDWIUPCL-OIISXLGYSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001082612348 995087939 /nfs/dbraw/zinc/08/79/39/995087939.db2.gz IRJITRJDWIUPCL-OIISXLGYSA-N 1 3 364.559 2.508 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001082741157 995395988 /nfs/dbraw/zinc/39/59/88/995395988.db2.gz QWPKZYQOMXYUFK-CBGDNZLLSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001082740975 995396022 /nfs/dbraw/zinc/39/60/22/995396022.db2.gz MDTCXRUWRBUSKS-QWQRMKEZSA-N 1 3 367.896 2.900 20 0 FFADHO Cc1cccnc1CN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134396 1015946308 /nfs/dbraw/zinc/94/63/08/1015946308.db2.gz BTQIEKZKXTVMJX-WOIUINJBSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cccnc1CN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134396 1015946314 /nfs/dbraw/zinc/94/63/14/1015946314.db2.gz BTQIEKZKXTVMJX-WOIUINJBSA-N 1 3 370.541 2.545 20 0 FFADHO COc1ccc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001049480076 1016002088 /nfs/dbraw/zinc/00/20/88/1016002088.db2.gz CVFIVYMQFFDXGN-RZXSNQJFSA-N 1 3 371.525 2.601 20 0 FFADHO COc1ccc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001049480076 1016002098 /nfs/dbraw/zinc/00/20/98/1016002098.db2.gz CVFIVYMQFFDXGN-RZXSNQJFSA-N 1 3 371.525 2.601 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001049479793 1016002357 /nfs/dbraw/zinc/00/23/57/1016002357.db2.gz BWCLIVOYWGZXQL-HUYLIWGRSA-N 1 3 359.489 2.731 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccc(F)cc2)CC[N@H+]1C ZINC001049479793 1016002368 /nfs/dbraw/zinc/00/23/68/1016002368.db2.gz BWCLIVOYWGZXQL-HUYLIWGRSA-N 1 3 359.489 2.731 20 0 FFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCN(CCCc4ccsc4)C[C@H]32)CC1 ZINC001084629267 996744186 /nfs/dbraw/zinc/74/41/86/996744186.db2.gz NPXGLDPSUNOYAU-RTBURBONSA-N 1 3 361.555 2.555 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccncc2)C1)C(=O)OC(C)(C)C ZINC000824710680 997066131 /nfs/dbraw/zinc/06/61/31/997066131.db2.gz YDRXNZGGGFPMSS-INIZCTEOSA-N 1 3 371.485 2.956 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccncc2)C1)C(=O)OC(C)(C)C ZINC000824710680 997066142 /nfs/dbraw/zinc/06/61/42/997066142.db2.gz YDRXNZGGGFPMSS-INIZCTEOSA-N 1 3 371.485 2.956 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)CC1 ZINC001084751873 997197472 /nfs/dbraw/zinc/19/74/72/997197472.db2.gz HVDPRUYQJPFCBT-QZTJIDSGSA-N 1 3 369.500 2.685 20 0 FFADHO S=C(N[C@@H]1CC[N@H+](CC2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000730957332 997584135 /nfs/dbraw/zinc/58/41/35/997584135.db2.gz LVJQZMUXXKEZBY-HXUWFJFHSA-N 1 3 372.582 2.599 20 0 FFADHO S=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000730957332 997584143 /nfs/dbraw/zinc/58/41/43/997584143.db2.gz LVJQZMUXXKEZBY-HXUWFJFHSA-N 1 3 372.582 2.599 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(N3CCCC3)cc1)CC[NH2+]CC2 ZINC000844223953 997713298 /nfs/dbraw/zinc/71/32/98/997713298.db2.gz CGULFHJLGGPPIK-KRWDZBQOSA-N 1 3 356.514 2.689 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[NH+]3CCCCC3)cc2)CC1 ZINC000844493613 997936626 /nfs/dbraw/zinc/93/66/26/997936626.db2.gz TYBRHLUJDSUBLM-UHFFFAOYSA-N 1 3 373.545 2.778 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CCN(Cc3ccccn3)[C@H]2C1 ZINC001084957923 998354830 /nfs/dbraw/zinc/35/48/30/998354830.db2.gz DVDLJUZFNPSOHR-GIVPXCGWSA-N 1 3 370.541 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CCN(Cc3ccccn3)[C@H]2C1 ZINC001084957923 998354840 /nfs/dbraw/zinc/35/48/40/998354840.db2.gz DVDLJUZFNPSOHR-GIVPXCGWSA-N 1 3 370.541 2.767 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000732891646 998807810 /nfs/dbraw/zinc/80/78/10/998807810.db2.gz ATQZALDBRXVFKH-UHFFFAOYSA-N 1 3 361.534 2.682 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000732891646 998807816 /nfs/dbraw/zinc/80/78/16/998807816.db2.gz ATQZALDBRXVFKH-UHFFFAOYSA-N 1 3 361.534 2.682 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1ccccc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001085200482 999156472 /nfs/dbraw/zinc/15/64/72/999156472.db2.gz LIBIARDOPVZMGO-MISYRCLQSA-N 1 3 359.489 2.685 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001085295356 999312213 /nfs/dbraw/zinc/31/22/13/999312213.db2.gz CDWSZXNTXPQHSG-HZPDHXFCSA-N 1 3 364.559 2.843 20 0 FFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929479 1016310617 /nfs/dbraw/zinc/31/06/17/1016310617.db2.gz GOJLUDMXJCBIQX-ICSRJNTNSA-N 1 3 351.498 2.972 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1)N1CCCCCC1 ZINC001085352421 999406957 /nfs/dbraw/zinc/40/69/57/999406957.db2.gz GRIXBERXTHAJBT-MISYRCLQSA-N 1 3 365.562 2.695 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001085352790 999409008 /nfs/dbraw/zinc/40/90/08/999409008.db2.gz XGZCYVHEXNGWFH-ATZDWAIDSA-N 1 3 362.518 2.765 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001085406663 999473160 /nfs/dbraw/zinc/47/31/60/999473160.db2.gz QSUHMNPZMZLWBM-RBSFLKMASA-N 1 3 354.445 2.713 20 0 FFADHO Cc1cc(C)c(CN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1 ZINC001085604959 999592757 /nfs/dbraw/zinc/59/27/57/999592757.db2.gz WQHPVQDNKMVOGS-VAMGGRTRSA-N 1 3 357.542 2.985 20 0 FFADHO Cc1cc(C)c(CN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC001085604959 999592762 /nfs/dbraw/zinc/59/27/62/999592762.db2.gz WQHPVQDNKMVOGS-VAMGGRTRSA-N 1 3 357.542 2.985 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000740770747 999683316 /nfs/dbraw/zinc/68/33/16/999683316.db2.gz IYFFARLKKLHRGR-QUCCMNQESA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000740770747 999683318 /nfs/dbraw/zinc/68/33/18/999683318.db2.gz IYFFARLKKLHRGR-QUCCMNQESA-N 1 3 374.598 2.942 20 0 FFADHO COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1OC(C)C ZINC000903980229 1016357030 /nfs/dbraw/zinc/35/70/30/1016357030.db2.gz KWTSXMJGTBBOLT-BGYRXZFFSA-N 1 3 373.541 2.883 20 0 FFADHO COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1OC(C)C ZINC000903980229 1016357034 /nfs/dbraw/zinc/35/70/34/1016357034.db2.gz KWTSXMJGTBBOLT-BGYRXZFFSA-N 1 3 373.541 2.883 20 0 FFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168832639 1000000477 /nfs/dbraw/zinc/00/04/77/1000000477.db2.gz FQLWXFAEGOYOSY-ZJPYXAASSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CCC(=O)N3Cc3ccncc3)CC1)C2 ZINC001169138834 1000025083 /nfs/dbraw/zinc/02/50/83/1000025083.db2.gz KBXNVNUSYMQLAF-ACDBMABISA-N 1 3 368.525 2.664 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CCC(=O)N3Cc3ccncc3)CC1)C2 ZINC001169138834 1000025085 /nfs/dbraw/zinc/02/50/85/1000025085.db2.gz KBXNVNUSYMQLAF-ACDBMABISA-N 1 3 368.525 2.664 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CO1 ZINC001169354161 1000043026 /nfs/dbraw/zinc/04/30/26/1000043026.db2.gz SUNMAOJPLQHADH-OALUTQOASA-N 1 3 352.519 2.731 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CO1 ZINC001169354161 1000043029 /nfs/dbraw/zinc/04/30/29/1000043029.db2.gz SUNMAOJPLQHADH-OALUTQOASA-N 1 3 352.519 2.731 20 0 FFADHO COc1ccc2c(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cc(=O)oc2c1 ZINC000846226998 1000235780 /nfs/dbraw/zinc/23/57/80/1000235780.db2.gz GCPYPZVBULJBRG-ZTNFWEORSA-N 1 3 372.465 2.662 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471759 1000528790 /nfs/dbraw/zinc/52/87/90/1000528790.db2.gz JCTVGRNTDKTYDH-QYZOEREBSA-N 1 3 365.562 2.788 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471759 1000528794 /nfs/dbraw/zinc/52/87/94/1000528794.db2.gz JCTVGRNTDKTYDH-QYZOEREBSA-N 1 3 365.562 2.788 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001109797202 1001012405 /nfs/dbraw/zinc/01/24/05/1001012405.db2.gz YWWWYJCPZDPELU-YRPNKDGESA-N 1 3 365.562 2.789 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001109797202 1001012412 /nfs/dbraw/zinc/01/24/12/1001012412.db2.gz YWWWYJCPZDPELU-YRPNKDGESA-N 1 3 365.562 2.789 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4ccccc4F)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091684317 1001053381 /nfs/dbraw/zinc/05/33/81/1001053381.db2.gz BDQAQRGJZZKAMY-MXKPZRPRSA-N 1 3 373.516 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4ccccc4F)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091684317 1001053387 /nfs/dbraw/zinc/05/33/87/1001053387.db2.gz BDQAQRGJZZKAMY-MXKPZRPRSA-N 1 3 373.516 2.836 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980690 1001228881 /nfs/dbraw/zinc/22/88/81/1001228881.db2.gz WMOBHSDAYPRQML-GIVPXCGWSA-N 1 3 373.541 2.610 20 0 FFADHO CN(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005848 1001278839 /nfs/dbraw/zinc/27/88/39/1001278839.db2.gz GUTVKAXCHMUJHH-DYXWJJEUSA-N 1 3 372.557 2.706 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCN(C/C=C\Cl)CC2 ZINC001086923849 1001332430 /nfs/dbraw/zinc/33/24/30/1001332430.db2.gz CFVBGPDDBXKYPR-ZAQQOMLQSA-N 1 3 353.938 2.782 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCN(C/C=C\Cl)CC2 ZINC001086923849 1001332434 /nfs/dbraw/zinc/33/24/34/1001332434.db2.gz CFVBGPDDBXKYPR-ZAQQOMLQSA-N 1 3 353.938 2.782 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001112548633 1001458229 /nfs/dbraw/zinc/45/82/29/1001458229.db2.gz JAHJXNYMHCIXKN-WMZOPIPTSA-N 1 3 357.489 2.592 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087080922 1001771277 /nfs/dbraw/zinc/77/12/77/1001771277.db2.gz MEZRFFVRBCLPBW-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)[C@H](C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)N(C)C ZINC001183363206 1002239326 /nfs/dbraw/zinc/23/93/26/1002239326.db2.gz UEDMWTLOTVMYGS-SRHPJPHMSA-N 1 3 359.558 2.994 20 0 FFADHO CC(C)[C@H](C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)N(C)C ZINC001183363206 1002239333 /nfs/dbraw/zinc/23/93/33/1002239333.db2.gz UEDMWTLOTVMYGS-SRHPJPHMSA-N 1 3 359.558 2.994 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@]3(C)C2)cc1 ZINC001092012154 1002281818 /nfs/dbraw/zinc/28/18/18/1002281818.db2.gz QUMICLDJSJKJJK-UZKOGDIHSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@]3(C)C2)cc1 ZINC001092012154 1002281827 /nfs/dbraw/zinc/28/18/27/1002281827.db2.gz QUMICLDJSJKJJK-UZKOGDIHSA-N 1 3 355.526 2.760 20 0 FFADHO CC[C@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001183908971 1002438780 /nfs/dbraw/zinc/43/87/80/1002438780.db2.gz HWVIHJNKGPNKNE-ZRZPHAQCSA-N 1 3 354.535 2.977 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095525485 1016629796 /nfs/dbraw/zinc/62/97/96/1016629796.db2.gz SNWKENDXVGYFHT-MHORFTMASA-N 1 3 369.500 2.731 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095525485 1016629801 /nfs/dbraw/zinc/62/98/01/1016629801.db2.gz SNWKENDXVGYFHT-MHORFTMASA-N 1 3 369.500 2.731 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001186355019 1003286557 /nfs/dbraw/zinc/28/65/57/1003286557.db2.gz UMFWHPSYWYDUTB-VQTJNVASSA-N 1 3 373.541 2.850 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001186355019 1003286567 /nfs/dbraw/zinc/28/65/67/1003286567.db2.gz UMFWHPSYWYDUTB-VQTJNVASSA-N 1 3 373.541 2.850 20 0 FFADHO COCC[NH+](CCOC)C1CCN(c2ccnc3cc(OC)ccc32)CC1 ZINC000804818861 1003861457 /nfs/dbraw/zinc/86/14/57/1003861457.db2.gz KPSHQFWDGOZGES-UHFFFAOYSA-N 1 3 373.497 2.807 20 0 FFADHO CN(C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171112 1004074796 /nfs/dbraw/zinc/07/47/96/1004074796.db2.gz UGLFNIJEDOBEBT-AOIWGVFYSA-N 1 3 365.468 2.520 20 0 FFADHO CCOC(=O)C1=C(Nc2ccc(SC3CC[NH2+]CC3)cc2)CCNC1 ZINC001170521784 1004560291 /nfs/dbraw/zinc/56/02/91/1004560291.db2.gz PFNWYMYZMIFMRE-UHFFFAOYSA-N 1 3 361.511 2.753 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001152459122 1004651764 /nfs/dbraw/zinc/65/17/64/1004651764.db2.gz ZEBBCFFNVQYCKQ-KSZLIROESA-N 1 3 365.468 2.616 20 0 FFADHO C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273836433 1005111010 /nfs/dbraw/zinc/11/10/10/1005111010.db2.gz WOLKWSGIMOFVMA-GHTZIAJQSA-N 1 3 358.530 2.561 20 0 FFADHO C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@]3(CCCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001273836433 1005111013 /nfs/dbraw/zinc/11/10/13/1005111013.db2.gz WOLKWSGIMOFVMA-GHTZIAJQSA-N 1 3 358.530 2.561 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@@H+]1CCOCC(C)C ZINC001489135139 1005420331 /nfs/dbraw/zinc/42/03/31/1005420331.db2.gz PAQGNHJLFJLCCF-HSALFYBXSA-N 1 3 367.578 2.893 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@H+]1CCOCC(C)C ZINC001489135139 1005420333 /nfs/dbraw/zinc/42/03/33/1005420333.db2.gz PAQGNHJLFJLCCF-HSALFYBXSA-N 1 3 367.578 2.893 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851750381 1005910865 /nfs/dbraw/zinc/91/08/65/1005910865.db2.gz DUFNPUUKWLJGPB-SFHVURJKSA-N 1 3 369.550 2.675 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851750381 1005910866 /nfs/dbraw/zinc/91/08/66/1005910866.db2.gz DUFNPUUKWLJGPB-SFHVURJKSA-N 1 3 369.550 2.675 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(Cc2ccccc2F)CC3)CC[N@@H+]1C ZINC001050523399 1017039115 /nfs/dbraw/zinc/03/91/15/1017039115.db2.gz BVTJEFZAMIKADA-SJLPKXTDSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(Cc2ccccc2F)CC3)CC[N@H+]1C ZINC001050523399 1017039124 /nfs/dbraw/zinc/03/91/24/1017039124.db2.gz BVTJEFZAMIKADA-SJLPKXTDSA-N 1 3 359.489 2.590 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]21 ZINC001188107254 1006415542 /nfs/dbraw/zinc/41/55/42/1006415542.db2.gz MCFYWYZBCLPIDY-SLFFLAALSA-N 1 3 361.505 2.708 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]21 ZINC001188107254 1006415546 /nfs/dbraw/zinc/41/55/46/1006415546.db2.gz MCFYWYZBCLPIDY-SLFFLAALSA-N 1 3 361.505 2.708 20 0 FFADHO CC(C)CN1CCC([NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000131208610 1006701561 /nfs/dbraw/zinc/70/15/61/1006701561.db2.gz UYWXMAJBNXMTPK-UGKGYDQZSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3C[N@H+](CCCCCF)C[C@H]32)C1 ZINC001189134958 1006921234 /nfs/dbraw/zinc/92/12/34/1006921234.db2.gz IESXYDWQGSDUGS-SQGPQFPESA-N 1 3 371.516 2.871 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3C[N@@H+](CCCCCF)C[C@H]32)C1 ZINC001189134958 1006921245 /nfs/dbraw/zinc/92/12/45/1006921245.db2.gz IESXYDWQGSDUGS-SQGPQFPESA-N 1 3 371.516 2.871 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/Sc1cc(F)ccc1F ZINC000855346690 1007295654 /nfs/dbraw/zinc/29/56/54/1007295654.db2.gz JDJPSSMKIRZRMT-ZHZWZMEUSA-N 1 3 371.497 2.959 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/Sc1cc(F)ccc1F ZINC000855346690 1007295665 /nfs/dbraw/zinc/29/56/65/1007295665.db2.gz JDJPSSMKIRZRMT-ZHZWZMEUSA-N 1 3 371.497 2.959 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871330 1007316211 /nfs/dbraw/zinc/31/62/11/1007316211.db2.gz KHGYAYBQKSRXGX-AZUAARDMSA-N 1 3 361.505 2.899 20 0 FFADHO COc1cccc([C@H](O)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817905731 1007806477 /nfs/dbraw/zinc/80/64/77/1007806477.db2.gz RZLDTSMSTXMYDP-SFHLNBCPSA-N 1 3 354.450 2.574 20 0 FFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000817971639 1007836129 /nfs/dbraw/zinc/83/61/29/1007836129.db2.gz FZNNGKZWAAZCJR-WMZOPIPTSA-N 1 3 371.447 2.888 20 0 FFADHO O[C@H](C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000818965309 1007981540 /nfs/dbraw/zinc/98/15/40/1007981540.db2.gz SJYAVZUCGJFGJE-HSZRJFAPSA-N 1 3 367.537 2.908 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)CC1 ZINC000818957880 1007994433 /nfs/dbraw/zinc/99/44/33/1007994433.db2.gz WCPMOOOSNSNRIY-NRFANRHFSA-N 1 3 373.928 2.911 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3cccc(Cl)c3)cc2)CC1 ZINC000818957881 1007995283 /nfs/dbraw/zinc/99/52/83/1007995283.db2.gz WCPMOOOSNSNRIY-OAQYLSRUSA-N 1 3 373.928 2.911 20 0 FFADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1C(F)(F)F ZINC000819062463 1008035344 /nfs/dbraw/zinc/03/53/44/1008035344.db2.gz QHBJBPBBSJKFRL-CRAIPNDOSA-N 1 3 372.431 2.972 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000820068073 1008276636 /nfs/dbraw/zinc/27/66/36/1008276636.db2.gz HDMUHJOWERVTLP-INIZCTEOSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000820068073 1008276641 /nfs/dbraw/zinc/27/66/41/1008276641.db2.gz HDMUHJOWERVTLP-INIZCTEOSA-N 1 3 364.509 2.772 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001110754186 1008401354 /nfs/dbraw/zinc/40/13/54/1008401354.db2.gz ISXMJUAOYAZREJ-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001110754186 1008401357 /nfs/dbraw/zinc/40/13/57/1008401357.db2.gz ISXMJUAOYAZREJ-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO c1sc(C2CC2)nc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001177558334 1008658080 /nfs/dbraw/zinc/65/80/80/1008658080.db2.gz WTKHZDJGDSBZFZ-UHFFFAOYSA-N 1 3 357.527 2.717 20 0 FFADHO COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886520777 1008714550 /nfs/dbraw/zinc/71/45/50/1008714550.db2.gz MNVFFLZVIIHSTD-HAGHYFMRSA-N 1 3 357.498 2.860 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cncc(C(=O)OC)c2)[C@H](C)C1 ZINC000886528771 1008721096 /nfs/dbraw/zinc/72/10/96/1008721096.db2.gz QREGHHFXGYYDKO-MDZRGWNJSA-N 1 3 363.502 2.656 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(-c3ccccn3)n[nH]2)[C@@H](C)C1 ZINC001177844747 1008766702 /nfs/dbraw/zinc/76/67/02/1008766702.db2.gz UYFKEEOUFFOHFM-FUHWJXTLSA-N 1 3 357.502 2.698 20 0 FFADHO CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cc1OC ZINC000822925469 1008821469 /nfs/dbraw/zinc/82/14/69/1008821469.db2.gz BJLZPHBLJQPKFP-OAGGEKHMSA-N 1 3 372.469 2.889 20 0 FFADHO Cc1nc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001178523174 1009019515 /nfs/dbraw/zinc/01/95/15/1009019515.db2.gz VQDXAMZKORNUFX-RHSMWYFYSA-N 1 3 352.548 2.558 20 0 FFADHO Cc1nc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001178523174 1009019531 /nfs/dbraw/zinc/01/95/31/1009019531.db2.gz VQDXAMZKORNUFX-RHSMWYFYSA-N 1 3 352.548 2.558 20 0 FFADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)[C@H]2C1 ZINC001179817243 1009461527 /nfs/dbraw/zinc/46/15/27/1009461527.db2.gz PCDAQOLUSJLQSC-YSIASYRMSA-N 1 3 357.498 2.717 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000151191401 1009807578 /nfs/dbraw/zinc/80/75/78/1009807578.db2.gz CBLBTZJWNKRQGO-KRWDZBQOSA-N 1 3 360.502 2.851 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](O)c4ccccc43)CC2)CC1 ZINC000889266061 1009898191 /nfs/dbraw/zinc/89/81/91/1009898191.db2.gz PRFZTHYEHCZYFP-NRFANRHFSA-N 1 3 371.525 2.653 20 0 FFADHO CCc1[nH]c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1C(=O)OC ZINC001181350056 1010090207 /nfs/dbraw/zinc/09/02/07/1010090207.db2.gz PQUDPUKMTMQQDV-KRWDZBQOSA-N 1 3 355.482 2.975 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1)C(C)C ZINC000889770568 1010104943 /nfs/dbraw/zinc/10/49/43/1010104943.db2.gz UMUSIIHPCJOPKR-RTWAWAEBSA-N 1 3 373.541 2.588 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1)C(C)C ZINC000889770568 1010104951 /nfs/dbraw/zinc/10/49/51/1010104951.db2.gz UMUSIIHPCJOPKR-RTWAWAEBSA-N 1 3 373.541 2.588 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110142944 1010212676 /nfs/dbraw/zinc/21/26/76/1010212676.db2.gz RRYQIOPBDNOPEG-AABGKKOBSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1C ZINC001093821194 1010592894 /nfs/dbraw/zinc/59/28/94/1010592894.db2.gz VEHSSVXBNGECAU-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001093824475 1010596786 /nfs/dbraw/zinc/59/67/86/1010596786.db2.gz WWHKFMPMFINFMM-QFIXIFRTSA-N 1 3 368.525 2.692 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H](C)C1)N(C)C ZINC001093839517 1010610784 /nfs/dbraw/zinc/61/07/84/1010610784.db2.gz RDVGMVCNPFJTEN-OGWOLHLISA-N 1 3 367.484 2.735 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)CC[N@@H+]1C ZINC000864944151 1010646189 /nfs/dbraw/zinc/64/61/89/1010646189.db2.gz DGFFAKGTTMZVMW-VQTJNVASSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)CC[N@H+]1C ZINC000864944151 1010646192 /nfs/dbraw/zinc/64/61/92/1010646192.db2.gz DGFFAKGTTMZVMW-VQTJNVASSA-N 1 3 359.514 2.506 20 0 FFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001094041084 1010803215 /nfs/dbraw/zinc/80/32/15/1010803215.db2.gz UZKVOJSPDQMLNF-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@H](C(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088553 1010848199 /nfs/dbraw/zinc/84/81/99/1010848199.db2.gz ZZDBSKXPWMMXED-BRWVUGGUSA-N 1 3 364.559 2.592 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001094131272 1010877210 /nfs/dbraw/zinc/87/72/10/1010877210.db2.gz ZXRXCQDPEYOEAK-IEBWSBKVSA-N 1 3 361.505 2.742 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC001094241565 1010984650 /nfs/dbraw/zinc/98/46/50/1010984650.db2.gz OTSMDKXWPKUQQG-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001094430769 1011114930 /nfs/dbraw/zinc/11/49/30/1011114930.db2.gz VTPSBCINVYOSJB-MFAZZRGVSA-N 1 3 353.938 2.974 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001094430769 1011114932 /nfs/dbraw/zinc/11/49/32/1011114932.db2.gz VTPSBCINVYOSJB-MFAZZRGVSA-N 1 3 353.938 2.974 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCC4(CC4)CC3)CC2)CC1 ZINC000868211676 1011201711 /nfs/dbraw/zinc/20/17/11/1011201711.db2.gz MQJWAMKAJKQWCE-UHFFFAOYSA-N 1 3 362.562 2.815 20 0 FFADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)CC1(C)C ZINC001171639296 1011424298 /nfs/dbraw/zinc/42/42/98/1011424298.db2.gz DNJWTCYISOWSRU-HZPDHXFCSA-N 1 3 369.550 2.598 20 0 FFADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)CC1(C)C ZINC001171639296 1011424306 /nfs/dbraw/zinc/42/43/06/1011424306.db2.gz DNJWTCYISOWSRU-HZPDHXFCSA-N 1 3 369.550 2.598 20 0 FFADHO CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC2 ZINC001274638611 1011551173 /nfs/dbraw/zinc/55/11/73/1011551173.db2.gz PLFCKAQSHWXSRS-GOSISDBHSA-N 1 3 359.489 2.592 20 0 FFADHO CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC2 ZINC001274638611 1011551189 /nfs/dbraw/zinc/55/11/89/1011551189.db2.gz PLFCKAQSHWXSRS-GOSISDBHSA-N 1 3 359.489 2.592 20 0 FFADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115512 1011647658 /nfs/dbraw/zinc/64/76/58/1011647658.db2.gz XWKJCRVTDQELJI-PVIWCNJMSA-N 1 3 357.542 2.881 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001172117833 1011651923 /nfs/dbraw/zinc/65/19/23/1011651923.db2.gz NJVCNXRMNARYLK-YYIAUSFCSA-N 1 3 369.575 2.944 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001172117833 1011651931 /nfs/dbraw/zinc/65/19/31/1011651931.db2.gz NJVCNXRMNARYLK-YYIAUSFCSA-N 1 3 369.575 2.944 20 0 FFADHO [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172160270 1011672750 /nfs/dbraw/zinc/67/27/50/1011672750.db2.gz SHTZCWLGTXXOKF-MSOLQXFVSA-N 1 3 361.917 2.829 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001274820825 1011685366 /nfs/dbraw/zinc/68/53/66/1011685366.db2.gz YRHADTJTCXJGCE-WDSOQIARSA-N 1 3 361.917 2.857 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001274820825 1011685374 /nfs/dbraw/zinc/68/53/74/1011685374.db2.gz YRHADTJTCXJGCE-WDSOQIARSA-N 1 3 361.917 2.857 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3cccc(C(C)(C)C)c3)C2)C1=O ZINC001275015632 1011824467 /nfs/dbraw/zinc/82/44/67/1011824467.db2.gz YDUQNUMRMOOUCO-JOCHJYFZSA-N 1 3 357.542 2.970 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3cccc(C(C)(C)C)c3)C2)C1=O ZINC001275015632 1011824487 /nfs/dbraw/zinc/82/44/87/1011824487.db2.gz YDUQNUMRMOOUCO-JOCHJYFZSA-N 1 3 357.542 2.970 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H](N2CCC([NH+]3CCC(OC)CC3)CC2)CC1 ZINC001172801159 1012053571 /nfs/dbraw/zinc/05/35/71/1012053571.db2.gz FKUFWTCOYQWWQK-DLBZAZTESA-N 1 3 352.519 2.684 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Cl)N1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001172868127 1012058935 /nfs/dbraw/zinc/05/89/35/1012058935.db2.gz FDMYEKBHCHNZTE-AWEZNQCLSA-N 1 3 355.885 2.506 20 0 FFADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275323754 1012298288 /nfs/dbraw/zinc/29/82/88/1012298288.db2.gz CYGSOZOLQIEGIE-PBVWOCPUSA-N 1 3 355.526 2.522 20 0 FFADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001275323754 1012298305 /nfs/dbraw/zinc/29/83/05/1012298305.db2.gz CYGSOZOLQIEGIE-PBVWOCPUSA-N 1 3 355.526 2.522 20 0 FFADHO COC(=O)CCCC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001173437430 1012558129 /nfs/dbraw/zinc/55/81/29/1012558129.db2.gz MCMYACLUSGAABR-SFHVURJKSA-N 1 3 361.530 2.646 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC2(CCN(CCC(F)(F)F)C2=O)CC1 ZINC001275508451 1012558675 /nfs/dbraw/zinc/55/86/75/1012558675.db2.gz SZPCCQWSFQRTFN-UHFFFAOYSA-N 1 3 363.468 2.841 20 0 FFADHO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009837 1032647588 /nfs/dbraw/zinc/64/75/88/1032647588.db2.gz NSFTVUCDOZHUSJ-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009837 1032647596 /nfs/dbraw/zinc/64/75/96/1032647596.db2.gz NSFTVUCDOZHUSJ-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1cccc(CC[N@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)c1 ZINC001275761589 1012969196 /nfs/dbraw/zinc/96/91/96/1012969196.db2.gz LGDVHBAGWSPTJP-QFIPXVFZSA-N 1 3 357.542 2.804 20 0 FFADHO Cc1cccc(CC[N@@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)c1 ZINC001275761589 1012969207 /nfs/dbraw/zinc/96/92/07/1012969207.db2.gz LGDVHBAGWSPTJP-QFIPXVFZSA-N 1 3 357.542 2.804 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccnn1C1CCC1 ZINC000924625577 1017382290 /nfs/dbraw/zinc/38/22/90/1017382290.db2.gz HNWDGDAMMRYVPV-MRXNPFEDSA-N 1 3 354.502 2.606 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC4(C3)CO[C@@H](C)C4)cc2)CC1 ZINC000924693259 1017424028 /nfs/dbraw/zinc/42/40/28/1017424028.db2.gz WMUMLXZANOPFJD-XTWGIRIWSA-N 1 3 357.542 2.871 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1)C12CCCN1CCC2 ZINC001097429979 1017480657 /nfs/dbraw/zinc/48/06/57/1017480657.db2.gz CUBQMWBJPGNJMA-QRVBRYPASA-N 1 3 357.542 2.917 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1)C12CCCN1CCC2 ZINC001097429979 1017480662 /nfs/dbraw/zinc/48/06/62/1017480662.db2.gz CUBQMWBJPGNJMA-QRVBRYPASA-N 1 3 357.542 2.917 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430695 1017480746 /nfs/dbraw/zinc/48/07/46/1017480746.db2.gz PIUCVTMQBLRHLY-AQNXPRMDSA-N 1 3 353.510 2.845 20 0 FFADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cn2c(n1)CCCC2 ZINC000925156732 1017643421 /nfs/dbraw/zinc/64/34/21/1017643421.db2.gz QIJNGJDQKATBCD-GOSISDBHSA-N 1 3 359.562 2.820 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000680092492 1017772059 /nfs/dbraw/zinc/77/20/59/1017772059.db2.gz HWEAHOOMPMTGEO-IVAOSVALSA-N 1 3 370.541 2.681 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000680092492 1017772072 /nfs/dbraw/zinc/77/20/72/1017772072.db2.gz HWEAHOOMPMTGEO-IVAOSVALSA-N 1 3 370.541 2.681 20 0 FFADHO [NH3+]CCC[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1 ZINC000925563877 1017786885 /nfs/dbraw/zinc/78/68/85/1017786885.db2.gz GDWDMHZZBCQBDF-OAQYLSRUSA-N 1 3 367.493 2.729 20 0 FFADHO CCc1nc(CN2CCC[C@H]([NH2+]C3CCN(CCC(C)C)CC3)C2)no1 ZINC000925704452 1017819752 /nfs/dbraw/zinc/81/97/52/1017819752.db2.gz HDOIRTLPXLQSKP-SFHVURJKSA-N 1 3 363.550 2.697 20 0 FFADHO CCc1nc(CN2CCC[C@H](NC3CC[NH+](CCC(C)C)CC3)C2)no1 ZINC000925704452 1017819767 /nfs/dbraw/zinc/81/97/67/1017819767.db2.gz HDOIRTLPXLQSKP-SFHVURJKSA-N 1 3 363.550 2.697 20 0 FFADHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc2c(c1)OCO2 ZINC000925810037 1017856781 /nfs/dbraw/zinc/85/67/81/1017856781.db2.gz UUFLEMKLDALSMB-MRXNPFEDSA-N 1 3 353.466 2.671 20 0 FFADHO Oc1cccc2c1CCC[C@@H]2NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925817873 1017860165 /nfs/dbraw/zinc/86/01/65/1017860165.db2.gz SHCAOYGZMUJDTN-NRFANRHFSA-N 1 3 351.494 2.965 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C)CCC(F)(F)CC3)CC2)CC1 ZINC000680274787 1017891231 /nfs/dbraw/zinc/89/12/31/1017891231.db2.gz CPTFBYCFVNOILK-UHFFFAOYSA-N 1 3 372.504 2.812 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000680308264 1017916425 /nfs/dbraw/zinc/91/64/25/1017916425.db2.gz JGUBJHKMFZXXJI-PCCBWWKXSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000680308264 1017916439 /nfs/dbraw/zinc/91/64/39/1017916439.db2.gz JGUBJHKMFZXXJI-PCCBWWKXSA-N 1 3 370.541 2.634 20 0 FFADHO Cc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)n1 ZINC000679081510 1017945089 /nfs/dbraw/zinc/94/50/89/1017945089.db2.gz LULOUOMKUSXUPZ-RXVVDRJESA-N 1 3 368.525 2.638 20 0 FFADHO C[C@H](NCc1cn(C(C)(C)C)c(=O)[nH]c1=O)c1cccc(C[NH+](C)C)c1 ZINC000926886274 1018282837 /nfs/dbraw/zinc/28/28/37/1018282837.db2.gz UFQLYHWHAXQHJC-AWEZNQCLSA-N 1 3 358.486 2.616 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000927001267 1018319095 /nfs/dbraw/zinc/31/90/95/1018319095.db2.gz HYQVFYUOAKIYEZ-BZSNNMDCSA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000927001267 1018319107 /nfs/dbraw/zinc/31/91/07/1018319107.db2.gz HYQVFYUOAKIYEZ-BZSNNMDCSA-N 1 3 369.550 2.722 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000682091802 1018691155 /nfs/dbraw/zinc/69/11/55/1018691155.db2.gz FXLUGZYDGKDEGS-UHFFFAOYSA-N 1 3 358.530 2.697 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4cccnc4C)C3)C2)CC[N@@H+]1C ZINC001041300192 1018770043 /nfs/dbraw/zinc/77/00/43/1018770043.db2.gz FXBUPHRESCMQPD-TUNNFDKTSA-N 1 3 370.541 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CCN(Cc4cccnc4C)C3)C2)CC[N@H+]1C ZINC001041300192 1018770056 /nfs/dbraw/zinc/77/00/56/1018770056.db2.gz FXBUPHRESCMQPD-TUNNFDKTSA-N 1 3 370.541 2.545 20 0 FFADHO O[C@H](COc1ccc2cc[nH]c2c1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000929278388 1019346927 /nfs/dbraw/zinc/34/69/27/1019346927.db2.gz XSPYHCFPUZCDLN-IBGZPJMESA-N 1 3 357.498 2.715 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCCC[N@H+](C)C3)cc2)CC1 ZINC000929348165 1019378167 /nfs/dbraw/zinc/37/81/67/1019378167.db2.gz OTPDWDFEZPQAPN-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCCC[N@@H+](C)C3)cc2)CC1 ZINC000929348165 1019378185 /nfs/dbraw/zinc/37/81/85/1019378185.db2.gz OTPDWDFEZPQAPN-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000478258657 1019692978 /nfs/dbraw/zinc/69/29/78/1019692978.db2.gz VOIFFATVRMZXOS-OAHLLOKOSA-N 1 3 361.530 2.921 20 0 FFADHO Brc1cccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)c1 ZINC001217757989 1032865089 /nfs/dbraw/zinc/86/50/89/1032865089.db2.gz VFHROWCVWXJDLO-UHFFFAOYSA-N 1 3 351.248 2.588 20 0 FFADHO Cc1ccc(CN2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001045444522 1019971298 /nfs/dbraw/zinc/97/12/98/1019971298.db2.gz DRGXZHXPPDVAFG-IEBWSBKVSA-N 1 3 358.530 2.509 20 0 FFADHO Cc1ccc(CN2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001045444522 1019971302 /nfs/dbraw/zinc/97/13/02/1019971302.db2.gz DRGXZHXPPDVAFG-IEBWSBKVSA-N 1 3 358.530 2.509 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(COC[C@@H]2CCC3(C[NH2+]C3)O2)O1 ZINC001217797964 1032875574 /nfs/dbraw/zinc/87/55/74/1032875574.db2.gz GJPSYZYBSANOEK-PZJWPPBQSA-N 1 3 374.525 2.594 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)C1 ZINC001096345285 1020171081 /nfs/dbraw/zinc/17/10/81/1020171081.db2.gz LQNPCJPZJWNMAX-ZRNYENFQSA-N 1 3 359.489 2.719 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)C1 ZINC001096345285 1020171084 /nfs/dbraw/zinc/17/10/84/1020171084.db2.gz LQNPCJPZJWNMAX-ZRNYENFQSA-N 1 3 359.489 2.719 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCCC[N@H+](C)C3)c2)CC1 ZINC000930893861 1020228839 /nfs/dbraw/zinc/22/88/39/1020228839.db2.gz POCBOBXYVMUJIV-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCCC[N@@H+](C)C3)c2)CC1 ZINC000930893861 1020228847 /nfs/dbraw/zinc/22/88/47/1020228847.db2.gz POCBOBXYVMUJIV-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccsc1 ZINC001096364474 1020234911 /nfs/dbraw/zinc/23/49/11/1020234911.db2.gz SCQJJPACHBAPHO-HFTRVMKXSA-N 1 3 356.495 2.744 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(CCc3ccccc3F)C2)CC[N@@H+]1C ZINC001046330789 1020595436 /nfs/dbraw/zinc/59/54/36/1020595436.db2.gz SRGYEYZPIQPECE-FBBABVLZSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(CCc3ccccc3F)C2)CC[N@H+]1C ZINC001046330789 1020595448 /nfs/dbraw/zinc/59/54/48/1020595448.db2.gz SRGYEYZPIQPECE-FBBABVLZSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCN(c2ccccc2)CC1 ZINC000903068341 1020661093 /nfs/dbraw/zinc/66/10/93/1020661093.db2.gz CDYXGOIIOJEJFE-CWCBLRDESA-N 1 3 368.569 2.945 20 0 FFADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCN(c2ccccc2)CC1 ZINC000903068341 1020661096 /nfs/dbraw/zinc/66/10/96/1020661096.db2.gz CDYXGOIIOJEJFE-CWCBLRDESA-N 1 3 368.569 2.945 20 0 FFADHO CN1CCN(C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2)CC1 ZINC000903089295 1020671459 /nfs/dbraw/zinc/67/14/59/1020671459.db2.gz PDUHBKPMQAINMR-XGBAPZKQSA-N 1 3 368.569 2.723 20 0 FFADHO CN1CCN(C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2)CC1 ZINC000903089295 1020671466 /nfs/dbraw/zinc/67/14/66/1020671466.db2.gz PDUHBKPMQAINMR-XGBAPZKQSA-N 1 3 368.569 2.723 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)C1 ZINC001098219892 1020740521 /nfs/dbraw/zinc/74/05/21/1020740521.db2.gz WTIIILFEFHKINS-QAKNJHSXSA-N 1 3 366.509 2.731 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)C1 ZINC001098219892 1020740529 /nfs/dbraw/zinc/74/05/29/1020740529.db2.gz WTIIILFEFHKINS-QAKNJHSXSA-N 1 3 366.509 2.731 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001098223507 1020744723 /nfs/dbraw/zinc/74/47/23/1020744723.db2.gz OLEAUMNKQGJXCR-AQNXPRMDSA-N 1 3 353.510 2.621 20 0 FFADHO Cc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001098224754 1020745423 /nfs/dbraw/zinc/74/54/23/1020745423.db2.gz DGGFKRLWQHRWDE-AFYVEPGGSA-N 1 3 353.510 2.873 20 0 FFADHO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@H]1C ZINC000934165949 1021154977 /nfs/dbraw/zinc/15/49/77/1021154977.db2.gz JGVNLPXLJXUYNY-YSTOQKLRSA-N 1 3 367.578 2.701 20 0 FFADHO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@H]1C ZINC000934165949 1021154980 /nfs/dbraw/zinc/15/49/80/1021154980.db2.gz JGVNLPXLJXUYNY-YSTOQKLRSA-N 1 3 367.578 2.701 20 0 FFADHO CCN1CCC[C@@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703638 1021366902 /nfs/dbraw/zinc/36/69/02/1021366902.db2.gz FSRICYCHTYSZTI-PXNSSMCTSA-N 1 3 357.502 2.740 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703638 1021366920 /nfs/dbraw/zinc/36/69/20/1021366920.db2.gz FSRICYCHTYSZTI-PXNSSMCTSA-N 1 3 357.502 2.740 20 0 FFADHO CC[N@H+]1CCC[C@@H](CN[C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC001116703638 1021366936 /nfs/dbraw/zinc/36/69/36/1021366936.db2.gz FSRICYCHTYSZTI-PXNSSMCTSA-N 1 3 357.502 2.740 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001098996606 1021553039 /nfs/dbraw/zinc/55/30/39/1021553039.db2.gz UKGIUVFAWLZLIW-UTYWTXRGSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001098996606 1021553051 /nfs/dbraw/zinc/55/30/51/1021553051.db2.gz UKGIUVFAWLZLIW-UTYWTXRGSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001099062750 1021695763 /nfs/dbraw/zinc/69/57/63/1021695763.db2.gz DCRJKINTTLSWEA-UNMCSNQZSA-N 1 3 370.541 2.593 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCOC(C)C)CC[N@@H+]1C ZINC001099084530 1021747168 /nfs/dbraw/zinc/74/71/68/1021747168.db2.gz AUPIFVRMLHOCEJ-GBESFXJTSA-N 1 3 367.578 2.749 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCOC(C)C)CC[N@H+]1C ZINC001099084530 1021747185 /nfs/dbraw/zinc/74/71/85/1021747185.db2.gz AUPIFVRMLHOCEJ-GBESFXJTSA-N 1 3 367.578 2.749 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001099120046 1021855036 /nfs/dbraw/zinc/85/50/36/1021855036.db2.gz YUNCDSUZIXDSPI-DXIQSLLYSA-N 1 3 371.525 2.508 20 0 FFADHO COc1cccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001099120046 1021855053 /nfs/dbraw/zinc/85/50/53/1021855053.db2.gz YUNCDSUZIXDSPI-DXIQSLLYSA-N 1 3 371.525 2.508 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001257561261 1022231237 /nfs/dbraw/zinc/23/12/37/1022231237.db2.gz OVRSNOFSMVJQPP-OAHLLOKOSA-N 1 3 354.336 2.559 20 0 FFADHO CC(C)C[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000829236438 1033056709 /nfs/dbraw/zinc/05/67/09/1033056709.db2.gz KSIAKQFXWKJUME-RDJZCZTQSA-N 1 3 369.513 2.551 20 0 FFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccnc2)C1)N1CCCC1 ZINC001099474423 1022589850 /nfs/dbraw/zinc/58/98/50/1022589850.db2.gz SEHAXDBEEYVNAS-UGKGYDQZSA-N 1 3 370.541 2.674 20 0 FFADHO Cc1ccc(C)c(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)c1 ZINC001099506144 1022645822 /nfs/dbraw/zinc/64/58/22/1022645822.db2.gz LNWWIRYNAMNJNU-UGKGYDQZSA-N 1 3 366.509 2.988 20 0 FFADHO [NH3+][C@H](CC(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21)c1ccccc1 ZINC001122249910 1023145826 /nfs/dbraw/zinc/14/58/26/1023145826.db2.gz UBSHZNXLNFNLKE-QWFCFKBJSA-N 1 3 365.477 2.585 20 0 FFADHO Cc1cncc(CN2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000948386356 1023248067 /nfs/dbraw/zinc/24/80/67/1023248067.db2.gz VABMECXTBHPNNO-MISYRCLQSA-N 1 3 358.530 2.543 20 0 FFADHO Cc1cncc(CN2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000948386356 1023248081 /nfs/dbraw/zinc/24/80/81/1023248081.db2.gz VABMECXTBHPNNO-MISYRCLQSA-N 1 3 358.530 2.543 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000753099929 1023268800 /nfs/dbraw/zinc/26/88/00/1023268800.db2.gz XLMMFGHWEOLSBK-XUVXKRRUSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000753099929 1023268811 /nfs/dbraw/zinc/26/88/11/1023268811.db2.gz XLMMFGHWEOLSBK-XUVXKRRUSA-N 1 3 355.526 2.888 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC1CC2(CC([NH3+])C2)C1)c1ccsc1 ZINC001120571031 1023365895 /nfs/dbraw/zinc/36/58/95/1023365895.db2.gz XGHOFDREFHQMGZ-HVEGKCCWSA-N 1 3 350.532 2.700 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001121424779 1023766504 /nfs/dbraw/zinc/76/65/04/1023766504.db2.gz PWBISAYTYVCSBC-QRVBRYPASA-N 1 3 374.577 2.715 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001121424779 1023766510 /nfs/dbraw/zinc/76/65/10/1023766510.db2.gz PWBISAYTYVCSBC-QRVBRYPASA-N 1 3 374.577 2.715 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313622 1024430637 /nfs/dbraw/zinc/43/06/37/1024430637.db2.gz GUKQHDFRJGRTIP-LMMKCTJWSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CCCc3ccsc3)C[C@@]2(C)C1 ZINC001101477161 1024844867 /nfs/dbraw/zinc/84/48/67/1024844867.db2.gz GDMFVQCRQMEDEK-QUCCMNQESA-N 1 3 363.571 2.801 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccsc3)C[C@@]2(C)C1 ZINC001101477161 1024844888 /nfs/dbraw/zinc/84/48/88/1024844888.db2.gz GDMFVQCRQMEDEK-QUCCMNQESA-N 1 3 363.571 2.801 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101975870 1025234267 /nfs/dbraw/zinc/23/42/67/1025234267.db2.gz FASJULHDWZDYTQ-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101975870 1025234272 /nfs/dbraw/zinc/23/42/72/1025234272.db2.gz FASJULHDWZDYTQ-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047375 1025352800 /nfs/dbraw/zinc/35/28/00/1025352800.db2.gz FGXJITUUMMYJBL-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047375 1025352812 /nfs/dbraw/zinc/35/28/12/1025352812.db2.gz FGXJITUUMMYJBL-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047525 1025354055 /nfs/dbraw/zinc/35/40/55/1025354055.db2.gz KFWWTYLXXAEKFR-MRRJBJDNSA-N 1 3 369.962 2.926 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048455 1025355874 /nfs/dbraw/zinc/35/58/74/1025355874.db2.gz CHDQDFRDMLYLLH-ZTFGCOKTSA-N 1 3 371.516 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048455 1025355888 /nfs/dbraw/zinc/35/58/88/1025355888.db2.gz CHDQDFRDMLYLLH-ZTFGCOKTSA-N 1 3 371.516 2.836 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048518 1025357907 /nfs/dbraw/zinc/35/79/07/1025357907.db2.gz FQBSVLFTYNGPII-ZPMCFJSWSA-N 1 3 371.569 2.816 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1 ZINC001102048518 1025357920 /nfs/dbraw/zinc/35/79/20/1025357920.db2.gz FQBSVLFTYNGPII-ZPMCFJSWSA-N 1 3 371.569 2.816 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2Cl)C[C@H]1C)N(C)C ZINC001102088051 1025413143 /nfs/dbraw/zinc/41/31/43/1025413143.db2.gz JXLZWYANMSUOLT-SZVBFZGTSA-N 1 3 365.949 2.907 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2Cl)C[C@H]1C)N(C)C ZINC001102088051 1025413149 /nfs/dbraw/zinc/41/31/49/1025413149.db2.gz JXLZWYANMSUOLT-SZVBFZGTSA-N 1 3 365.949 2.907 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001102103315 1025429334 /nfs/dbraw/zinc/42/93/34/1025429334.db2.gz NFUBPWVXHOIEKP-DNVCBOLYSA-N 1 3 360.546 2.613 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001102103315 1025429343 /nfs/dbraw/zinc/42/93/43/1025429343.db2.gz NFUBPWVXHOIEKP-DNVCBOLYSA-N 1 3 360.546 2.613 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213871 1025595613 /nfs/dbraw/zinc/59/56/13/1025595613.db2.gz WGZPKQZOGPIISX-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213871 1025595626 /nfs/dbraw/zinc/59/56/26/1025595626.db2.gz WGZPKQZOGPIISX-UYAOXDASSA-N 1 3 357.542 2.788 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1 ZINC001102369735 1025823907 /nfs/dbraw/zinc/82/39/07/1025823907.db2.gz FGKDVCGIXGPHGO-QKNQBKEWSA-N 1 3 357.542 2.563 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1 ZINC001102369735 1025823927 /nfs/dbraw/zinc/82/39/27/1025823927.db2.gz FGKDVCGIXGPHGO-QKNQBKEWSA-N 1 3 357.542 2.563 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]2C)C1 ZINC001102369811 1025829003 /nfs/dbraw/zinc/82/90/03/1025829003.db2.gz HRGSQDJKMCHKAP-ARFHVFGLSA-N 1 3 363.468 2.745 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]2C)C1 ZINC001102369811 1025829019 /nfs/dbraw/zinc/82/90/19/1025829019.db2.gz HRGSQDJKMCHKAP-ARFHVFGLSA-N 1 3 363.468 2.745 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001102372542 1025831413 /nfs/dbraw/zinc/83/14/13/1025831413.db2.gz ITXWGQKHMZCWOW-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001102372542 1025831437 /nfs/dbraw/zinc/83/14/37/1025831437.db2.gz ITXWGQKHMZCWOW-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCc3ccccc3)C[C@H]2C)C1 ZINC001102372994 1025836865 /nfs/dbraw/zinc/83/68/65/1025836865.db2.gz STXIYIMNAUWJLC-QKNQBKEWSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2C)C1 ZINC001102372994 1025836887 /nfs/dbraw/zinc/83/68/87/1025836887.db2.gz STXIYIMNAUWJLC-QKNQBKEWSA-N 1 3 357.542 2.645 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102380571 1025855508 /nfs/dbraw/zinc/85/55/08/1025855508.db2.gz MZGKLFCZQOASLL-UIFIKXQLSA-N 1 3 359.558 2.816 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102380571 1025855530 /nfs/dbraw/zinc/85/55/30/1025855530.db2.gz MZGKLFCZQOASLL-UIFIKXQLSA-N 1 3 359.558 2.816 20 0 FFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638621277 1025909747 /nfs/dbraw/zinc/90/97/47/1025909747.db2.gz VUPNWBXEZPTSGZ-CQSZACIVSA-N 1 3 374.451 2.565 20 0 FFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638621277 1025909757 /nfs/dbraw/zinc/90/97/57/1025909757.db2.gz VUPNWBXEZPTSGZ-CQSZACIVSA-N 1 3 374.451 2.565 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639057844 1026149197 /nfs/dbraw/zinc/14/91/97/1026149197.db2.gz VUYGUJWPTGCGOE-UNWVZKJWSA-N 1 3 370.585 2.970 20 0 FFADHO [NH3+]C[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)c2ccccc21 ZINC000639067904 1026153310 /nfs/dbraw/zinc/15/33/10/1026153310.db2.gz NZVVUZNIZQSHCE-KRWDZBQOSA-N 1 3 357.498 2.501 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC001102525174 1026214857 /nfs/dbraw/zinc/21/48/57/1026214857.db2.gz OOGQKEJDQHQKDB-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC001102525174 1026214866 /nfs/dbraw/zinc/21/48/66/1026214866.db2.gz OOGQKEJDQHQKDB-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@H](C)C2)sn1 ZINC001102596527 1026391212 /nfs/dbraw/zinc/39/12/12/1026391212.db2.gz LDBQWZDXMZWMDJ-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO CN1CCC(N(c2ncc3cc(Cl)ccc3n2)C2CC[NH2+]CC2)CC1 ZINC001158580655 1027066279 /nfs/dbraw/zinc/06/62/79/1027066279.db2.gz IKGDXELXFNUBCU-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000641856777 1027338251 /nfs/dbraw/zinc/33/82/51/1027338251.db2.gz LJCWHJSCYOOAOT-MXVIHJGJSA-N 1 3 372.557 2.977 20 0 FFADHO C[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378972 1027354063 /nfs/dbraw/zinc/35/40/63/1027354063.db2.gz SKNWHLDCFZLZHD-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO CCOc1cncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159459921 1027398348 /nfs/dbraw/zinc/39/83/48/1027398348.db2.gz HQUMZXRZLNBTBK-UHFFFAOYSA-N 1 3 365.481 2.785 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cccc(Cl)[n+]3[O-])c3ccccc23)CC1 ZINC001159460292 1027398899 /nfs/dbraw/zinc/39/88/99/1027398899.db2.gz HFWXGJVBYLQTHX-UHFFFAOYSA-N 1 3 370.884 2.883 20 0 FFADHO c1cc(NC2CC2)nc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)n1 ZINC001159626354 1027448466 /nfs/dbraw/zinc/44/84/66/1027448466.db2.gz QLFKFWVGBMZGBA-WGSAOQKQSA-N 1 3 370.545 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001103435990 1027478402 /nfs/dbraw/zinc/47/84/02/1027478402.db2.gz GVBBFGWTXSUCHO-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001103435990 1027478411 /nfs/dbraw/zinc/47/84/11/1027478411.db2.gz GVBBFGWTXSUCHO-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2C)C1 ZINC001103436451 1027482587 /nfs/dbraw/zinc/48/25/87/1027482587.db2.gz YVVTUVOGAWSZFV-KZNAEPCWSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2C)C1 ZINC001103436451 1027482601 /nfs/dbraw/zinc/48/26/01/1027482601.db2.gz YVVTUVOGAWSZFV-KZNAEPCWSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2C)C1 ZINC001103436452 1027482852 /nfs/dbraw/zinc/48/28/52/1027482852.db2.gz YVVTUVOGAWSZFV-RCCFBDPRSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2C)C1 ZINC001103436452 1027482858 /nfs/dbraw/zinc/48/28/58/1027482858.db2.gz YVVTUVOGAWSZFV-RCCFBDPRSA-N 1 3 361.505 2.742 20 0 FFADHO CN1CCN(Cc2cccc(Nc3ccccc3N3CC[NH2+]CC3)c2)CC1 ZINC001159812613 1027508927 /nfs/dbraw/zinc/50/89/27/1027508927.db2.gz BAOMNSMPBOXDNR-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO CCN1CCN(c2ccc(Nc3cccc(N4CC([NH3+])C4)c3)cc2)CC1 ZINC001159989118 1027554992 /nfs/dbraw/zinc/55/49/92/1027554992.db2.gz LNGBVCVXMBXGGK-UHFFFAOYSA-N 1 3 351.498 2.719 20 0 FFADHO c1cc(NC2=CC[C@@H](N3CCOCC3)CC2)cc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160217799 1027639963 /nfs/dbraw/zinc/63/99/63/1027639963.db2.gz OTFSZJFJHKQDGU-CTNGQTDRSA-N 1 3 357.498 2.998 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1C ZINC001103550274 1027666578 /nfs/dbraw/zinc/66/65/78/1027666578.db2.gz IMMPQANQWHCFPY-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1C ZINC001103550274 1027666581 /nfs/dbraw/zinc/66/65/81/1027666581.db2.gz IMMPQANQWHCFPY-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO [NH3+]C1CCN(c2cccc(N[C@@H]3Cc4ccc(Cl)cc4NC3=O)n2)CC1 ZINC001160428660 1027701752 /nfs/dbraw/zinc/70/17/52/1027701752.db2.gz NOQGQLOBFSGBKF-MRXNPFEDSA-N 1 3 371.872 2.638 20 0 FFADHO C[C@@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160682616 1027802743 /nfs/dbraw/zinc/80/27/43/1027802743.db2.gz GYBXWQYEBCWDFL-RXVVDRJESA-N 1 3 351.494 2.885 20 0 FFADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160728425 1027831361 /nfs/dbraw/zinc/83/13/61/1027831361.db2.gz DBRBTWDJQNADLP-ZHALLVOQSA-N 1 3 351.535 2.650 20 0 FFADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160728425 1027831379 /nfs/dbraw/zinc/83/13/79/1027831379.db2.gz DBRBTWDJQNADLP-ZHALLVOQSA-N 1 3 351.535 2.650 20 0 FFADHO Cc1cnc([C@@H](C)N2C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C2)o1 ZINC001103655152 1027897827 /nfs/dbraw/zinc/89/78/27/1027897827.db2.gz SADWRZYELDXTTI-KBAYOESNSA-N 1 3 364.534 2.850 20 0 FFADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1C ZINC001103662772 1027920033 /nfs/dbraw/zinc/92/00/33/1027920033.db2.gz PYZZLXZHVQZDIF-IAGOWNOFSA-N 1 3 364.509 2.527 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1C ZINC001103662772 1027920049 /nfs/dbraw/zinc/92/00/49/1027920049.db2.gz PYZZLXZHVQZDIF-IAGOWNOFSA-N 1 3 364.509 2.527 20 0 FFADHO O=C([C@@H]1C[C@@H](F)CCN1)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001161144422 1028035000 /nfs/dbraw/zinc/03/50/00/1028035000.db2.gz LDNREWCLWKFTRB-PMACEKPBSA-N 1 3 373.516 2.981 20 0 FFADHO N[C@@H](CCCc1ccccc1)C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274159 1028108179 /nfs/dbraw/zinc/10/81/79/1028108179.db2.gz PIALCQGBBXRGCT-SFTDATJTSA-N 1 3 366.509 2.512 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1C ZINC001103756005 1028144117 /nfs/dbraw/zinc/14/41/17/1028144117.db2.gz UMFXXCMJWRHBHQ-QWFCFKBJSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C ZINC001103756005 1028144123 /nfs/dbraw/zinc/14/41/23/1028144123.db2.gz UMFXXCMJWRHBHQ-QWFCFKBJSA-N 1 3 358.530 2.530 20 0 FFADHO Cc1cc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c(-n2cccc2)s1 ZINC001161448354 1028179096 /nfs/dbraw/zinc/17/90/96/1028179096.db2.gz BUOIGJRYTFIWOW-MRXNPFEDSA-N 1 3 360.527 2.603 20 0 FFADHO CCOc1c(F)cc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001161448358 1028179326 /nfs/dbraw/zinc/17/93/26/1028179326.db2.gz BVUINOTWQXGBAM-CQSZACIVSA-N 1 3 371.884 2.634 20 0 FFADHO Cc1cc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c(-n2cccc2)s1 ZINC001161448352 1028179952 /nfs/dbraw/zinc/17/99/52/1028179952.db2.gz BUOIGJRYTFIWOW-INIZCTEOSA-N 1 3 360.527 2.603 20 0 FFADHO Cc1ccc2ncc([O-])c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2c1 ZINC001154530362 1028340265 /nfs/dbraw/zinc/34/02/65/1028340265.db2.gz GVYCXAZOQRNCIM-UHFFFAOYSA-N 1 3 372.513 2.594 20 0 FFADHO CN(C)[C@@H](CNC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525446 1028521399 /nfs/dbraw/zinc/52/13/99/1028521399.db2.gz LQIBPPFIFOIIBH-RTWAWAEBSA-N 1 3 359.489 2.511 20 0 FFADHO CN(C)[C@@H](CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525446 1028521409 /nfs/dbraw/zinc/52/14/09/1028521409.db2.gz LQIBPPFIFOIIBH-RTWAWAEBSA-N 1 3 359.489 2.511 20 0 FFADHO CN(C)[C@@H](C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525446 1028521425 /nfs/dbraw/zinc/52/14/25/1028521425.db2.gz LQIBPPFIFOIIBH-RTWAWAEBSA-N 1 3 359.489 2.511 20 0 FFADHO O=C(CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)Nc1ccccc1F ZINC000644601535 1028578363 /nfs/dbraw/zinc/57/83/63/1028578363.db2.gz VAHTYBRUQIDBRC-OALUTQOASA-N 1 3 363.477 2.512 20 0 FFADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(CN2CCCCC2)ccn1 ZINC001162730538 1028636861 /nfs/dbraw/zinc/63/68/61/1028636861.db2.gz NURNSOGSRSHCOB-GOSISDBHSA-N 1 3 362.518 2.611 20 0 FFADHO Cc1ccc(C[NH+]2CCCCC2)cc1NCc1nnn2c1CNCCC2 ZINC001162979354 1028744930 /nfs/dbraw/zinc/74/49/30/1028744930.db2.gz OXHKFHNHGVSSIA-UHFFFAOYSA-N 1 3 354.502 2.678 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOC(C)C)C2)N(CC)CC ZINC001111870009 1029648740 /nfs/dbraw/zinc/64/87/40/1029648740.db2.gz WCTSLDRMMFEECR-BJLQDIEVSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOC(C)C)C2)N(CC)CC ZINC001111870009 1029648744 /nfs/dbraw/zinc/64/87/44/1029648744.db2.gz WCTSLDRMMFEECR-BJLQDIEVSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CCOCC1)C2)N(CC)CC ZINC001111869981 1029649096 /nfs/dbraw/zinc/64/90/96/1029649096.db2.gz UNYJCQWYOKFPNL-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCOCC1)C2)N(CC)CC ZINC001111869981 1029649101 /nfs/dbraw/zinc/64/91/01/1029649101.db2.gz UNYJCQWYOKFPNL-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ncnc4cc(Cl)ccc43)CC2)CC1 ZINC001157838177 1029672870 /nfs/dbraw/zinc/67/28/70/1029672870.db2.gz QOVZLTRHSCZDTK-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO C[NH+]1CCN(C(=N)Nc2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001157916325 1029685514 /nfs/dbraw/zinc/68/55/14/1029685514.db2.gz TZLXTIBPYQDPIM-UHFFFAOYSA-N 1 3 360.465 2.815 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3nc(Cl)cc4c(Cl)ccnc43)CC2)C1 ZINC001158259837 1029776000 /nfs/dbraw/zinc/77/60/00/1029776000.db2.gz AFMBERUFOAUAEH-NSHDSACASA-N 1 3 366.296 2.938 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3nc(Cl)cc4c(Cl)ccnc43)CC2)C1 ZINC001158259837 1029776009 /nfs/dbraw/zinc/77/60/09/1029776009.db2.gz AFMBERUFOAUAEH-NSHDSACASA-N 1 3 366.296 2.938 20 0 FFADHO Cc1cc2c(nc(Cl)nc2N2CCC([N@@H+]3CC[C@H](N)C3)CC2)s1 ZINC001158259794 1029776364 /nfs/dbraw/zinc/77/63/64/1029776364.db2.gz VHRSCDBPBDGHDI-NSHDSACASA-N 1 3 351.907 2.655 20 0 FFADHO Cc1cc2c(nc(Cl)nc2N2CCC([N@H+]3CC[C@H](N)C3)CC2)s1 ZINC001158259794 1029776368 /nfs/dbraw/zinc/77/63/68/1029776368.db2.gz VHRSCDBPBDGHDI-NSHDSACASA-N 1 3 351.907 2.655 20 0 FFADHO O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421448 1029825584 /nfs/dbraw/zinc/82/55/84/1029825584.db2.gz DVIXKJLIHQCJRQ-LEWJYISDSA-N 1 3 361.489 2.671 20 0 FFADHO Cc1cccc(N(c2ncc(C)cc2CN)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165779434 1030122488 /nfs/dbraw/zinc/12/24/88/1030122488.db2.gz VOOXSWAYJFWWME-FPOVZHCZSA-N 1 3 352.482 2.816 20 0 FFADHO CCCc1ccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001142353952 1030340956 /nfs/dbraw/zinc/34/09/56/1030340956.db2.gz GDVJZEDJRCUWNL-UHFFFAOYSA-N 1 3 367.537 2.963 20 0 FFADHO CCCc1ccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001142353952 1030340971 /nfs/dbraw/zinc/34/09/71/1030340971.db2.gz GDVJZEDJRCUWNL-UHFFFAOYSA-N 1 3 367.537 2.963 20 0 FFADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1cccc(Br)c1 ZINC001203765635 1030875869 /nfs/dbraw/zinc/87/58/69/1030875869.db2.gz BZJVQYVSMAKAKZ-DLBZAZTESA-N 1 3 352.320 2.659 20 0 FFADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccccc1C(F)(F)F ZINC000843364591 1031359099 /nfs/dbraw/zinc/35/90/99/1031359099.db2.gz JHBCDSHDFDSOLN-MRXNPFEDSA-N 1 3 367.415 2.886 20 0 FFADHO CN(C(=O)C1C[NH+](C2CCCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001150439492 1031715581 /nfs/dbraw/zinc/71/55/81/1031715581.db2.gz USUVQQYTGHRKAC-OAQYLSRUSA-N 1 3 355.526 2.984 20 0 FFADHO Cc1c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1-c1ccccc1 ZINC000799726963 1031868201 /nfs/dbraw/zinc/86/82/01/1031868201.db2.gz UBQVPXPVZVRGJH-KRWDZBQOSA-N 1 3 355.530 2.857 20 0 FFADHO C[C@@H]1CCN(Cc2c[nH]c3ncc(Br)nc23)CC[C@H]1C[NH3+] ZINC001205654019 1031908935 /nfs/dbraw/zinc/90/89/35/1031908935.db2.gz WGCZBTYZNGUOOM-MNOVXSKESA-N 1 3 352.280 2.527 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1F ZINC001205657458 1031910446 /nfs/dbraw/zinc/91/04/46/1031910446.db2.gz DMGYDWJGGMNFIQ-UCLAIMLFSA-N 1 3 358.461 2.722 20 0 FFADHO COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCCC[C@@](O)(CN)C3)c2)cc1 ZINC001205726114 1031956290 /nfs/dbraw/zinc/95/62/90/1031956290.db2.gz OKTFBAYXQRHXEV-JOCHJYFZSA-N 1 3 368.477 2.816 20 0 FFADHO COC(=O)c1ccc(-c2cccc(C[N@H+]3CCCC[C@@](O)(CN)C3)c2)cc1 ZINC001205726114 1031956308 /nfs/dbraw/zinc/95/63/08/1031956308.db2.gz OKTFBAYXQRHXEV-JOCHJYFZSA-N 1 3 368.477 2.816 20 0 FFADHO COC(=O)c1ccc(-c2cccc(CN3CCCC[C@@](O)(C[NH3+])C3)c2)cc1 ZINC001205726114 1031956323 /nfs/dbraw/zinc/95/63/23/1031956323.db2.gz OKTFBAYXQRHXEV-JOCHJYFZSA-N 1 3 368.477 2.816 20 0 FFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387325 1033420469 /nfs/dbraw/zinc/42/04/69/1033420469.db2.gz FMASQUXJTRMTMQ-XLIONFOSSA-N 1 3 361.505 2.899 20 0 FFADHO CC(C)(C)CCCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052376 1033490981 /nfs/dbraw/zinc/49/09/81/1033490981.db2.gz XKJUZYOBUXGRFU-RBUKOAKNSA-N 1 3 365.562 2.600 20 0 FFADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219118146 1033523070 /nfs/dbraw/zinc/52/30/70/1033523070.db2.gz IJTHFSNWWDVWHN-LEWJYISDSA-N 1 3 364.493 2.918 20 0 FFADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)c3cc4c(s3)CNCC4)cc2)C1 ZINC001219238594 1033567383 /nfs/dbraw/zinc/56/73/83/1033567383.db2.gz LGMMZZHTTQIIEE-AWEZNQCLSA-N 1 3 356.495 2.574 20 0 FFADHO COC(=O)c1cccc(-c2cccc(NC(=O)[C@@H](N)CCCC[NH3+])c2)c1 ZINC001219332730 1033601969 /nfs/dbraw/zinc/60/19/69/1033601969.db2.gz MNAOYLWIKWHPQC-SFHVURJKSA-N 1 3 355.438 2.535 20 0 FFADHO N[C@H](C(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2)C1CC[NH2+]CC1 ZINC001219548439 1033686422 /nfs/dbraw/zinc/68/64/22/1033686422.db2.gz XLPAGVCRFBJBPN-IBGZPJMESA-N 1 3 357.404 2.801 20 0 FFADHO N[C@H](CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC001219609700 1033712436 /nfs/dbraw/zinc/71/24/36/1033712436.db2.gz BMYXSJUTFOMVJO-YPMHNXCESA-N 1 3 370.202 2.794 20 0 FFADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)C1 ZINC001219642745 1033729509 /nfs/dbraw/zinc/72/95/09/1033729509.db2.gz XGGUNUKTLPGUPL-DJPFJPOOSA-N 1 3 351.494 2.585 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001219980333 1033923980 /nfs/dbraw/zinc/92/39/80/1033923980.db2.gz HAIIUNZPEVDTIW-HKUYNNGSSA-N 1 3 361.530 2.582 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001219980333 1033923987 /nfs/dbraw/zinc/92/39/87/1033923987.db2.gz HAIIUNZPEVDTIW-HKUYNNGSSA-N 1 3 361.530 2.582 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001220123968 1033992941 /nfs/dbraw/zinc/99/29/41/1033992941.db2.gz KLYJBXWKEWPRPX-AWEZNQCLSA-N 1 3 369.941 2.800 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001220123968 1033992952 /nfs/dbraw/zinc/99/29/52/1033992952.db2.gz KLYJBXWKEWPRPX-AWEZNQCLSA-N 1 3 369.941 2.800 20 0 FFADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001220384157 1034141989 /nfs/dbraw/zinc/14/19/89/1034141989.db2.gz LAFDGXINOHIZPG-HZPDHXFCSA-N 1 3 361.486 2.571 20 0 FFADHO CCOc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)ccc1C ZINC001277024416 1034163836 /nfs/dbraw/zinc/16/38/36/1034163836.db2.gz MEYOPDMIXFXAMU-RTBURBONSA-N 1 3 359.514 2.521 20 0 FFADHO O=C(NCc1cccc(-c2cccs2)c1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220451714 1034183636 /nfs/dbraw/zinc/18/36/36/1034183636.db2.gz VXCUSKUSNNMDER-QGZVFWFLSA-N 1 3 355.507 2.906 20 0 FFADHO O=C(NCc1cccc(-c2cccs2)c1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220451714 1034183646 /nfs/dbraw/zinc/18/36/46/1034183646.db2.gz VXCUSKUSNNMDER-QGZVFWFLSA-N 1 3 355.507 2.906 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC001220633538 1034309046 /nfs/dbraw/zinc/30/90/46/1034309046.db2.gz ISCUVJGTKDAVOP-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220722271 1034355361 /nfs/dbraw/zinc/35/53/61/1034355361.db2.gz WGBUXENPPMLLSR-UTBUEMAESA-N 1 3 353.510 2.559 20 0 FFADHO O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220722271 1034355367 /nfs/dbraw/zinc/35/53/67/1034355367.db2.gz WGBUXENPPMLLSR-UTBUEMAESA-N 1 3 353.510 2.559 20 0 FFADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1C[NH3+] ZINC001220852987 1034430171 /nfs/dbraw/zinc/43/01/71/1034430171.db2.gz GTVAFZNWKNYCHH-JOCHJYFZSA-N 1 3 359.473 2.999 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NCc2ccccc2C[NH3+])cc1 ZINC001220855211 1034432327 /nfs/dbraw/zinc/43/23/27/1034432327.db2.gz QEJOBPSKRPQJNE-IBGZPJMESA-N 1 3 355.482 2.509 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)c2csc([C@@H]3CCCN3)n2)cc1 ZINC001220904878 1034450317 /nfs/dbraw/zinc/45/03/17/1034450317.db2.gz HIUSPIXJCSLSFK-INIZCTEOSA-N 1 3 358.511 2.731 20 0 FFADHO CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220921042 1034461163 /nfs/dbraw/zinc/46/11/63/1034461163.db2.gz XNPKWQYBUKKDRH-MJGOQNOKSA-N 1 3 363.933 2.994 20 0 FFADHO CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220921042 1034461165 /nfs/dbraw/zinc/46/11/65/1034461165.db2.gz XNPKWQYBUKKDRH-MJGOQNOKSA-N 1 3 363.933 2.994 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccc(Oc2ccccn2)cc1 ZINC001221084569 1034538518 /nfs/dbraw/zinc/53/85/18/1034538518.db2.gz JJDHHMCMMZKBHP-IBGZPJMESA-N 1 3 370.497 2.986 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001226170806 1034556822 /nfs/dbraw/zinc/55/68/22/1034556822.db2.gz QPQSZPKNVUDSEM-QRVBRYPASA-N 1 3 353.551 2.693 20 0 FFADHO O=C(NCC1(CC2CCC2)CC[NH2+]CC1)c1csc([C@H]2CCCN2)n1 ZINC001221130374 1034569982 /nfs/dbraw/zinc/56/99/82/1034569982.db2.gz PKVZZRGRROIJKK-OAHLLOKOSA-N 1 3 362.543 2.857 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001226267130 1034601171 /nfs/dbraw/zinc/60/11/71/1034601171.db2.gz BPGHPTZKAJLPAA-QZTJIDSGSA-N 1 3 353.551 2.695 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl)[C@H]1C[NH+]2CCC1CC2 ZINC001226297135 1034618003 /nfs/dbraw/zinc/61/80/03/1034618003.db2.gz QIJBSMMPBOWIHY-RRFJBIMHSA-N 1 3 360.329 2.664 20 0 FFADHO COc1ccc(O[C@@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)nc1 ZINC001138773975 1034643550 /nfs/dbraw/zinc/64/35/50/1034643550.db2.gz VLLFQOUQOUEQCC-HXUWFJFHSA-N 1 3 371.481 2.684 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001221403737 1034716748 /nfs/dbraw/zinc/71/67/48/1034716748.db2.gz WNOLYGMQOFECFZ-BDVYOWHSSA-N 1 3 371.447 2.812 20 0 FFADHO N[C@H](CC(=O)N[C@H](C1CCC1)C1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC001221408534 1034719211 /nfs/dbraw/zinc/71/92/11/1034719211.db2.gz JGUUOOHKTBEJLY-NVXWUHKLSA-N 1 3 356.297 2.888 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C2CCC2)s1 ZINC001226824021 1034852722 /nfs/dbraw/zinc/85/27/22/1034852722.db2.gz IPXPDWIHHVWZNA-IAGOWNOFSA-N 1 3 364.559 2.761 20 0 FFADHO Cc1ncsc1CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226942208 1034889657 /nfs/dbraw/zinc/88/96/57/1034889657.db2.gz SJXXJZNRQCFBEN-NUJGCVRESA-N 1 3 366.575 2.597 20 0 FFADHO CCCCOCCN1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715335 1035006129 /nfs/dbraw/zinc/00/61/29/1035006129.db2.gz NJPMCWAFXIMEHY-RTBURBONSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848444 1035111499 /nfs/dbraw/zinc/11/14/99/1035111499.db2.gz OTMZKKPPUDIFLA-XUVXKRRUSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848444 1035111504 /nfs/dbraw/zinc/11/15/04/1035111504.db2.gz OTMZKKPPUDIFLA-XUVXKRRUSA-N 1 3 365.562 2.600 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1c[nH]c(C)n1)CC2 ZINC001232460812 1035706067 /nfs/dbraw/zinc/70/60/67/1035706067.db2.gz ZHEWQELRDOLLDF-FQEVSTJZSA-N 1 3 369.513 2.616 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1c[nH]c(C)n1)CC2 ZINC001232460812 1035706072 /nfs/dbraw/zinc/70/60/72/1035706072.db2.gz ZHEWQELRDOLLDF-FQEVSTJZSA-N 1 3 369.513 2.616 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228406340 1036093577 /nfs/dbraw/zinc/09/35/77/1036093577.db2.gz CVSFTZZKBWWANM-GUDVDZBRSA-N 1 3 355.567 2.652 20 0 FFADHO CCc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228444911 1036117570 /nfs/dbraw/zinc/11/75/70/1036117570.db2.gz IURRMZXOVXJDAC-GUDVDZBRSA-N 1 3 364.534 2.649 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228646631 1036227033 /nfs/dbraw/zinc/22/70/33/1036227033.db2.gz IPHQGOUNOGTKBT-QZTJIDSGSA-N 1 3 355.567 2.798 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1)N(C)C ZINC001228661067 1036240222 /nfs/dbraw/zinc/24/02/22/1036240222.db2.gz MOVMFCJPRIGDGT-AQNXPRMDSA-N 1 3 361.530 2.560 20 0 FFADHO Cc1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]n1 ZINC001203074543 1036331579 /nfs/dbraw/zinc/33/15/79/1036331579.db2.gz SCZBGUQGTXYAIU-FQEVSTJZSA-N 1 3 354.498 2.974 20 0 FFADHO Cc1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]n1 ZINC001203074543 1036331593 /nfs/dbraw/zinc/33/15/93/1036331593.db2.gz SCZBGUQGTXYAIU-FQEVSTJZSA-N 1 3 354.498 2.974 20 0 FFADHO Cc1c[nH]c(=O)c(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)c1 ZINC001233192583 1036430076 /nfs/dbraw/zinc/43/00/76/1036430076.db2.gz PJCNRVQECQVRDK-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC001229587382 1036763987 /nfs/dbraw/zinc/76/39/87/1036763987.db2.gz BLOVCGJJCXWYPL-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)c1cnc(C)cn1 ZINC001229851912 1036935047 /nfs/dbraw/zinc/93/50/47/1036935047.db2.gz AAZGEEFPKVPBRV-KZNAEPCWSA-N 1 3 361.534 2.595 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)c1cnc(C)cn1 ZINC001229851912 1036935063 /nfs/dbraw/zinc/93/50/63/1036935063.db2.gz AAZGEEFPKVPBRV-KZNAEPCWSA-N 1 3 361.534 2.595 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(OC)c1 ZINC001229869010 1036947729 /nfs/dbraw/zinc/94/77/29/1036947729.db2.gz UJUHYGKYYZGTMP-RTBURBONSA-N 1 3 361.530 2.862 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001230243812 1037175119 /nfs/dbraw/zinc/17/51/19/1037175119.db2.gz VWKVYNBWKMRJCZ-WOJBJXKFSA-N 1 3 361.530 2.805 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC001230284518 1037195505 /nfs/dbraw/zinc/19/55/05/1037195505.db2.gz JBXAHVJEHSSTHF-RTBURBONSA-N 1 3 367.484 2.865 20 0 FFADHO Cc1cnc(N2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001207294019 1037321423 /nfs/dbraw/zinc/32/14/23/1037321423.db2.gz HAEYNFSCISTQTP-UHFFFAOYSA-N 1 3 365.525 2.819 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001207483239 1037479683 /nfs/dbraw/zinc/47/96/83/1037479683.db2.gz IVKSUIDLEYWZCJ-SLFFLAALSA-N 1 3 359.514 2.672 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1cc(Cl)cc(Cl)c1)C2 ZINC001235338905 1037491490 /nfs/dbraw/zinc/49/14/90/1037491490.db2.gz STACKAKAQKISDB-UOUZQGKXSA-N 1 3 369.292 2.824 20 0 FFADHO c1ccc(CN2CCOC3(CCN(CC[C@H]4CCCC[NH2+]4)CC3)C2)cc1 ZINC001235610871 1037642753 /nfs/dbraw/zinc/64/27/53/1037642753.db2.gz FFVAKTYZSYCTDH-OAQYLSRUSA-N 1 3 357.542 2.886 20 0 FFADHO CN1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@@H]1c1ccccc1 ZINC001235675497 1037677588 /nfs/dbraw/zinc/67/75/88/1037677588.db2.gz YLCQAULEQCNDEV-HSZRJFAPSA-N 1 3 364.537 2.581 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](CCCc3ccccc3Cl)C[C@H]1CNCC2 ZINC001236038023 1037900949 /nfs/dbraw/zinc/90/09/49/1037900949.db2.gz MYVZNMKYVNESLE-VQIMIIECSA-N 1 3 350.890 2.747 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](CCCc3ccccc3Cl)C[C@H]1CNCC2 ZINC001236038023 1037900960 /nfs/dbraw/zinc/90/09/60/1037900960.db2.gz MYVZNMKYVNESLE-VQIMIIECSA-N 1 3 350.890 2.747 20 0 FFADHO CC(C)c1cc(Br)cc(CN(C)CCN2CC[NH2+]CC2)c1 ZINC001236082083 1037926873 /nfs/dbraw/zinc/92/68/73/1037926873.db2.gz WQEHRSKNTLHRLY-UHFFFAOYSA-N 1 3 354.336 2.910 20 0 FFADHO Cc1ccnc(OC2CCN(Cc3ccccc3N3CC[NH2+]CC3)CC2)c1 ZINC001236533770 1038122192 /nfs/dbraw/zinc/12/21/92/1038122192.db2.gz GZNBKRNJLYCFHG-UHFFFAOYSA-N 1 3 366.509 2.843 20 0 FFADHO CN(C)CC1(C[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)CCCC1 ZINC001208186578 1038122333 /nfs/dbraw/zinc/12/23/33/1038122333.db2.gz VPKKDNXGQZJYGI-QGZVFWFLSA-N 1 3 353.551 2.504 20 0 FFADHO CN(C)CC1(C[N@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)CCCC1 ZINC001208186578 1038122346 /nfs/dbraw/zinc/12/23/46/1038122346.db2.gz VPKKDNXGQZJYGI-QGZVFWFLSA-N 1 3 353.551 2.504 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2CC3(C2)CCN(Cc2cccnc2)C3)c1 ZINC001232146964 1038195928 /nfs/dbraw/zinc/19/59/28/1038195928.db2.gz BKYVWQQCAKUWPO-UHFFFAOYSA-N 1 3 368.500 2.990 20 0 FFADHO O=C(N1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1)C(F)(F)F ZINC001255980447 1038288264 /nfs/dbraw/zinc/28/82/64/1038288264.db2.gz UKQZLFMIGRDURI-OAHLLOKOSA-N 1 3 373.463 2.950 20 0 FFADHO Fc1cccc(O[C@H]2C[C@@H]3CN(C4CC[NH+](C5CC5)CC4)CCN3C2)c1 ZINC001256077933 1038366061 /nfs/dbraw/zinc/36/60/61/1038366061.db2.gz IMAPRQBLXDGYER-CTNGQTDRSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@H](Cc1cccc(Br)c1)N1CCN(CCCC[NH3+])CC1 ZINC001256182243 1038420974 /nfs/dbraw/zinc/42/09/74/1038420974.db2.gz CTIFLNVAVPITMS-OAHLLOKOSA-N 1 3 354.336 2.737 20 0 FFADHO C[NH+]1CCC(N2CC[C@H]3OCCC[C@@]3(COc3ncccc3F)C2)CC1 ZINC001256207311 1038431746 /nfs/dbraw/zinc/43/17/46/1038431746.db2.gz HMDWSEVHDDKHPK-QUCCMNQESA-N 1 3 363.477 2.565 20 0 FFADHO CN1CCC[C@H](C[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001208611957 1038448281 /nfs/dbraw/zinc/44/82/81/1038448281.db2.gz YTAKLKMOVWTSLM-HNNXBMFYSA-N 1 3 352.320 2.913 20 0 FFADHO CCOC1CCC(N2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)CC1 ZINC001256442084 1038514602 /nfs/dbraw/zinc/51/46/02/1038514602.db2.gz OSTKLZDWKDWKJV-UHFFFAOYSA-N 1 3 365.562 2.599 20 0 FFADHO CN(C)Cc1nc(CSCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cs1 ZINC001256614837 1038581270 /nfs/dbraw/zinc/58/12/70/1038581270.db2.gz KRZABMGOVRKNFT-VHRNVKJDSA-N 1 3 354.589 2.653 20 0 FFADHO CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937770 1038595764 /nfs/dbraw/zinc/59/57/64/1038595764.db2.gz TXXBITYGVZLGQU-UNMCSNQZSA-N 1 3 355.526 2.985 20 0 FFADHO CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937770 1038595765 /nfs/dbraw/zinc/59/57/65/1038595765.db2.gz TXXBITYGVZLGQU-UNMCSNQZSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683581 1038601564 /nfs/dbraw/zinc/60/15/64/1038601564.db2.gz FEXURFORNHOLSR-KLAILNCOSA-N 1 3 355.523 2.523 20 0 FFADHO COC(=O)c1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c(Cl)c1 ZINC001256684568 1038601684 /nfs/dbraw/zinc/60/16/84/1038601684.db2.gz TZIFMGCNALWKOI-UHFFFAOYSA-N 1 3 366.889 2.860 20 0 FFADHO CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256685415 1038601697 /nfs/dbraw/zinc/60/16/97/1038601697.db2.gz FIOPJKIOUUCPLH-OFVLBHHSSA-N 1 3 365.562 2.693 20 0 FFADHO c1ccc(C[C@@H](CN2CCCC2)[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256686956 1038602531 /nfs/dbraw/zinc/60/25/31/1038602531.db2.gz XJPUFZZQMCJYLX-KOENEWCDSA-N 1 3 371.569 2.927 20 0 FFADHO OC[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC001256687695 1038602799 /nfs/dbraw/zinc/60/27/99/1038602799.db2.gz FULBQTAGBIXDID-IVMQYODDSA-N 1 3 352.906 2.649 20 0 FFADHO Cc1c(CC[NH3+])c2cc(O)ccc2n1C1CCC(N2CCOCC2)CC1 ZINC001256688178 1038603975 /nfs/dbraw/zinc/60/39/75/1038603975.db2.gz RYRMJHHPHBBMEH-UHFFFAOYSA-N 1 3 357.498 2.972 20 0 FFADHO Cc1nccnc1O[C@@H]1CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208961224 1038607805 /nfs/dbraw/zinc/60/78/05/1038607805.db2.gz YWUIOBNLIPIHPT-WOJBJXKFSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1nccnc1O[C@@H]1CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208961224 1038607809 /nfs/dbraw/zinc/60/78/09/1038607809.db2.gz YWUIOBNLIPIHPT-WOJBJXKFSA-N 1 3 352.482 2.760 20 0 FFADHO CC(C)(C)OC(=O)N1CCCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256857907 1038636714 /nfs/dbraw/zinc/63/67/14/1038636714.db2.gz YXXDCZLTNXSVJK-UHFFFAOYSA-N 1 3 360.502 2.993 20 0 FFADHO COc1ccc(CN2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001256861275 1038638812 /nfs/dbraw/zinc/63/88/12/1038638812.db2.gz VKRKQRMQVRLAEK-UHFFFAOYSA-N 1 3 366.509 2.877 20 0 FFADHO CCOC(=O)CC[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001209032703 1038641700 /nfs/dbraw/zinc/64/17/00/1038641700.db2.gz AAZQLQIWAGYROU-LJQANCHMSA-N 1 3 360.498 2.695 20 0 FFADHO O=C(OCCN1CCC(COCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC001209041090 1038645226 /nfs/dbraw/zinc/64/52/26/1038645226.db2.gz XXVICDYZXURLIU-UHFFFAOYSA-N 1 3 360.498 2.668 20 0 FFADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc(C)c1 ZINC001256909447 1038652703 /nfs/dbraw/zinc/65/27/03/1038652703.db2.gz KUIGMZAOGXYDDT-UHFFFAOYSA-N 1 3 369.575 2.669 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1ccc(Br)o1)CC2 ZINC001279029807 1038903801 /nfs/dbraw/zinc/90/38/01/1038903801.db2.gz HNSOEDPWAHYNCN-UHFFFAOYSA-N 1 3 356.308 2.502 20 0 FFADHO CCOC(=O)C1CCC(O)(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001251057314 1038917665 /nfs/dbraw/zinc/91/76/65/1038917665.db2.gz BRTFYHMOXLQTTO-JMDAGXMHSA-N 1 3 366.546 2.810 20 0 FFADHO CCOC(=O)C1CCC(O)(C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001251057314 1038917679 /nfs/dbraw/zinc/91/76/79/1038917679.db2.gz BRTFYHMOXLQTTO-JMDAGXMHSA-N 1 3 366.546 2.810 20 0 FFADHO CC(C)CN1CCC([N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)CC1 ZINC001258018604 1039118236 /nfs/dbraw/zinc/11/82/36/1039118236.db2.gz QHUWCPILNXNXHT-FQEVSTJZSA-N 1 3 359.514 2.749 20 0 FFADHO CC(C)CN1CCC([N@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)CC1 ZINC001258018604 1039118242 /nfs/dbraw/zinc/11/82/42/1039118242.db2.gz QHUWCPILNXNXHT-FQEVSTJZSA-N 1 3 359.514 2.749 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001251411732 1039118613 /nfs/dbraw/zinc/11/86/13/1039118613.db2.gz HUKJSCQEKAANLL-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001251411732 1039118616 /nfs/dbraw/zinc/11/86/16/1039118616.db2.gz HUKJSCQEKAANLL-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCc1ccccc1Cl ZINC001245978974 1039174528 /nfs/dbraw/zinc/17/45/28/1039174528.db2.gz QWIYLSMPGKIVFY-ZWKOTPCHSA-N 1 3 354.828 2.681 20 0 FFADHO O[C@H](CN[C@H](c1ccccc1F)C1CC[NH2+]CC1)COc1ccccc1 ZINC001245998124 1039182165 /nfs/dbraw/zinc/18/21/65/1039182165.db2.gz GKLVPBKXGZGIND-UTKZUKDTSA-N 1 3 358.457 2.896 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246017319 1039194380 /nfs/dbraw/zinc/19/43/80/1039194380.db2.gz AGENZPXBCYIBHA-GHTZIAJQSA-N 1 3 362.514 2.705 20 0 FFADHO CCOC(=O)CCC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001258122806 1039197973 /nfs/dbraw/zinc/19/79/73/1039197973.db2.gz YACVCLNTFGMAFQ-YFVAEKQCSA-N 1 3 366.546 2.789 20 0 FFADHO CCOC(=O)CCC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001258122806 1039197985 /nfs/dbraw/zinc/19/79/85/1039197985.db2.gz YACVCLNTFGMAFQ-YFVAEKQCSA-N 1 3 366.546 2.789 20 0 FFADHO C[C@@H]1C[C@@H](N[C@H]2Cc3ccc(I)cc3C2)C[C@H](C)[NH2+]1 ZINC001246270245 1039292601 /nfs/dbraw/zinc/29/26/01/1039292601.db2.gz LOYUPXHIIZEMPT-OJXGSEEGSA-N 1 3 370.278 2.877 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(I)cc3C2)C[C@H](C)N1 ZINC001246270245 1039292607 /nfs/dbraw/zinc/29/26/07/1039292607.db2.gz LOYUPXHIIZEMPT-OJXGSEEGSA-N 1 3 370.278 2.877 20 0 FFADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001246302055 1039305882 /nfs/dbraw/zinc/30/58/82/1039305882.db2.gz VOULJLFWBRGZHS-KLHDSHLOSA-N 1 3 370.534 2.782 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCCN1CN[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246350618 1039320830 /nfs/dbraw/zinc/32/08/30/1039320830.db2.gz NKFOAIWDDRORNM-UWVAXJGDSA-N 1 3 351.535 2.652 20 0 FFADHO Cc1cc(F)ccc1[C@H]1C[C@H](NCC[C@H](N)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246388275 1039333877 /nfs/dbraw/zinc/33/38/77/1039333877.db2.gz FYLFITIHTKFIQV-BPQIPLTHSA-N 1 3 365.493 2.576 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246408012 1039341899 /nfs/dbraw/zinc/34/18/99/1039341899.db2.gz BFOCLRSFQOPTCX-YCUHHDTJSA-N 1 3 368.562 2.703 20 0 FFADHO C[C@@H](Cc1cccc(Br)c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246630764 1039422970 /nfs/dbraw/zinc/42/29/70/1039422970.db2.gz LLQRCDDUEPCMRK-YSVLISHTSA-N 1 3 353.304 2.690 20 0 FFADHO Cc1ccc(CC[C@H](C)N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001246662349 1039430777 /nfs/dbraw/zinc/43/07/77/1039430777.db2.gz ZNAZFSVTCAKQGT-IBGZPJMESA-N 1 3 370.541 2.790 20 0 FFADHO CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753888 1039464951 /nfs/dbraw/zinc/46/49/51/1039464951.db2.gz DMTPMEUXNXYDLJ-IVAOSVALSA-N 1 3 350.547 2.918 20 0 FFADHO CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753888 1039464955 /nfs/dbraw/zinc/46/49/55/1039464955.db2.gz DMTPMEUXNXYDLJ-IVAOSVALSA-N 1 3 350.547 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+]([C@H]2CCN[C@H](C)C2)C3)n1 ZINC001246753518 1039465666 /nfs/dbraw/zinc/46/56/66/1039465666.db2.gz NLNLJTXGBNNPFD-RYFAJOAYSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+]([C@H]2CCN[C@H](C)C2)C3)n1 ZINC001246753518 1039465678 /nfs/dbraw/zinc/46/56/78/1039465678.db2.gz NLNLJTXGBNNPFD-RYFAJOAYSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@H]2CCN([C@H]2CC[NH2+][C@H](C)C2)C3)n1 ZINC001246753518 1039465688 /nfs/dbraw/zinc/46/56/88/1039465688.db2.gz NLNLJTXGBNNPFD-RYFAJOAYSA-N 1 3 373.541 2.918 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](OC)c2ccccc2)C[C@H]1C ZINC001210486261 1039575770 /nfs/dbraw/zinc/57/57/70/1039575770.db2.gz RPNBQEKMRVAHOA-MISYRCLQSA-N 1 3 361.530 2.543 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](OC)c2ccccc2)C[C@H]1C ZINC001210486261 1039575786 /nfs/dbraw/zinc/57/57/86/1039575786.db2.gz RPNBQEKMRVAHOA-MISYRCLQSA-N 1 3 361.530 2.543 20 0 FFADHO O[C@H](COCc1ccco1)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001252637706 1039622336 /nfs/dbraw/zinc/62/23/36/1039622336.db2.gz SZRGBXKALLFGFE-IBGZPJMESA-N 1 3 374.481 2.738 20 0 FFADHO COc1ccc(O[C@H](C)CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252943126 1039839979 /nfs/dbraw/zinc/83/99/79/1039839979.db2.gz FDHRGCCUJVXROU-XMSQKQJNSA-N 1 3 370.493 2.689 20 0 FFADHO COc1ccc(O[C@H](C)CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252943126 1039840004 /nfs/dbraw/zinc/84/00/04/1039840004.db2.gz FDHRGCCUJVXROU-XMSQKQJNSA-N 1 3 370.493 2.689 20 0 FFADHO CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@](C)(O)c1ccccc1 ZINC001253127871 1039993945 /nfs/dbraw/zinc/99/39/45/1039993945.db2.gz ZAQJLYDNOXJPMB-BHDDXSALSA-N 1 3 354.494 2.773 20 0 FFADHO CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@](C)(O)c1ccccc1 ZINC001253127871 1039993960 /nfs/dbraw/zinc/99/39/60/1039993960.db2.gz ZAQJLYDNOXJPMB-BHDDXSALSA-N 1 3 354.494 2.773 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNCC1(c2ccc(Cl)cc2)CCOCC1 ZINC001253215571 1040049907 /nfs/dbraw/zinc/04/99/07/1040049907.db2.gz YOCOOSDRFCUVIR-SFHVURJKSA-N 1 3 354.922 2.681 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211374559 1040118384 /nfs/dbraw/zinc/11/83/84/1040118384.db2.gz IPLNZVKKSCDQMF-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211374559 1040118394 /nfs/dbraw/zinc/11/83/94/1040118394.db2.gz IPLNZVKKSCDQMF-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001253405616 1040156944 /nfs/dbraw/zinc/15/69/44/1040156944.db2.gz JCCLFBGJMQBTEF-DNVCBOLYSA-N 1 3 357.539 2.505 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001253405616 1040156956 /nfs/dbraw/zinc/15/69/56/1040156956.db2.gz JCCLFBGJMQBTEF-DNVCBOLYSA-N 1 3 357.539 2.505 20 0 FFADHO COCCc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254051484 1040551615 /nfs/dbraw/zinc/55/16/15/1040551615.db2.gz MYKDLEMTSGWIKM-UHFFFAOYSA-N 1 3 368.521 2.992 20 0 FFADHO Cc1cc2c(cn1)[C@H]([NH2+]CC1(O)CCN(Cc3ccccc3)CC1)CC2 ZINC001254052452 1040554973 /nfs/dbraw/zinc/55/49/73/1040554973.db2.gz JFAZSVVFVXZOJX-OAQYLSRUSA-N 1 3 351.494 2.994 20 0 FFADHO CC(C)(C)OC(=O)c1cccc(-c2cn(CCCC[NH2+]CCCN)nn2)c1 ZINC001254164784 1040591040 /nfs/dbraw/zinc/59/10/40/1040591040.db2.gz VFRQPQCPUOKSCM-UHFFFAOYSA-N 1 3 373.501 2.619 20 0 FFADHO c1ccc([C@H]2C[NH2+]C[C@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C2)cc1 ZINC001249223737 1040638304 /nfs/dbraw/zinc/63/83/04/1040638304.db2.gz HNCMWPHGBZCQRE-IAGOWNOFSA-N 1 3 361.449 2.638 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCCC[N@@H+](C)C3)C2)cc1 ZINC001254473024 1040740564 /nfs/dbraw/zinc/74/05/64/1040740564.db2.gz AMLQVCHSMGEZBK-UXHICEINSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC001254473024 1040740577 /nfs/dbraw/zinc/74/05/77/1040740577.db2.gz AMLQVCHSMGEZBK-UXHICEINSA-N 1 3 358.530 2.600 20 0 FFADHO CO[C@@H]1CN([C@H](C)c2ccccc2C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754275 1040876232 /nfs/dbraw/zinc/87/62/32/1040876232.db2.gz WRAJUABIIZGZTF-MISYRCLQSA-N 1 3 361.530 2.603 20 0 FFADHO CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868031 1041008894 /nfs/dbraw/zinc/00/88/94/1041008894.db2.gz GODHMURAXWUEIT-WOJBJXKFSA-N 1 3 363.546 2.568 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931046 1041080989 /nfs/dbraw/zinc/08/09/89/1041080989.db2.gz APXBZORVFRYHSC-FBYXPACISA-N 1 3 365.562 2.669 20 0 FFADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CCN(C4COC4)CC2)C3)cc1 ZINC001255136047 1041166225 /nfs/dbraw/zinc/16/62/25/1041166225.db2.gz LSZIVQKUVSVCER-KOUNCHBCSA-N 1 3 369.553 2.882 20 0 FFADHO COC(=O)N1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255137572 1041168004 /nfs/dbraw/zinc/16/80/04/1041168004.db2.gz UIEKOIXJPYJLKY-PMOLBWCYSA-N 1 3 357.498 2.956 20 0 FFADHO COC(=O)N1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255137572 1041168009 /nfs/dbraw/zinc/16/80/09/1041168009.db2.gz UIEKOIXJPYJLKY-PMOLBWCYSA-N 1 3 357.498 2.956 20 0 FFADHO COCCC1([NH3+])CCN([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001255232410 1041215814 /nfs/dbraw/zinc/21/58/14/1041215814.db2.gz VCWFDFUEFQTZBC-BJWYYQGGSA-N 1 3 367.534 2.747 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]C[C@@H](O)c3cccc(Cl)c3)c2)CC1 ZINC001261435916 1041234924 /nfs/dbraw/zinc/23/49/24/1041234924.db2.gz KCARCMPHORFXET-OAQYLSRUSA-N 1 3 373.928 2.911 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255396949 1041320814 /nfs/dbraw/zinc/32/08/14/1041320814.db2.gz MNSBHLJTHKPKRJ-CGXNFDGLSA-N 1 3 374.525 2.723 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255396949 1041320821 /nfs/dbraw/zinc/32/08/21/1041320821.db2.gz MNSBHLJTHKPKRJ-CGXNFDGLSA-N 1 3 374.525 2.723 20 0 FFADHO COc1cccc([C@H](O)C[NH2+]CC2CCN(Cc3cccnc3)CC2)c1 ZINC001250736822 1041334311 /nfs/dbraw/zinc/33/43/11/1041334311.db2.gz KLHYWKZBWZTAAD-OAQYLSRUSA-N 1 3 355.482 2.625 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1cccc(F)c1 ZINC001250822936 1041385492 /nfs/dbraw/zinc/38/54/92/1041385492.db2.gz VLVTVQOHTZQZFV-UYAOXDASSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc(F)c1 ZINC001250822936 1041385502 /nfs/dbraw/zinc/38/55/02/1041385502.db2.gz VLVTVQOHTZQZFV-UYAOXDASSA-N 1 3 358.457 2.677 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001214755023 1041563122 /nfs/dbraw/zinc/56/31/22/1041563122.db2.gz OOWVVJDRAZBBPT-JEBQAFNWSA-N 1 3 371.447 2.581 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001214757741 1041564475 /nfs/dbraw/zinc/56/44/75/1041564475.db2.gz VEXAOMMVQQNIMJ-FSPWUOQZSA-N 1 3 371.447 2.581 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC001262559937 1041721151 /nfs/dbraw/zinc/72/11/51/1041721151.db2.gz AOZYPOADKLOZFY-AYBZRNKSSA-N 1 3 362.518 2.505 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCCCCC2)C1)N(C)C ZINC001215571163 1041830472 /nfs/dbraw/zinc/83/04/72/1041830472.db2.gz CDCNTJPXHIPXHP-QRQLOZEOSA-N 1 3 353.551 2.503 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001216510995 1042044454 /nfs/dbraw/zinc/04/44/54/1042044454.db2.gz IERAYXHOKDLTPC-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001216510961 1042044894 /nfs/dbraw/zinc/04/48/94/1042044894.db2.gz GLTCSAWYDLGHPW-YFVAEKQCSA-N 1 3 357.542 2.885 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc(Cl)n1 ZINC001263234175 1042189661 /nfs/dbraw/zinc/18/96/61/1042189661.db2.gz PJPIHFAYLXIGDV-HNNXBMFYSA-N 1 3 352.910 2.657 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1)N(C)C ZINC001263919661 1042532196 /nfs/dbraw/zinc/53/21/96/1042532196.db2.gz AMTJFLVKECEZGP-JOQOYGCGSA-N 1 3 353.457 2.680 20 0 FFADHO COc1ccc(C)cc1CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001264000395 1042574158 /nfs/dbraw/zinc/57/41/58/1042574158.db2.gz OUHNJTYULNZUGJ-MJGOQNOKSA-N 1 3 361.530 2.672 20 0 FFADHO COc1cccc(Cl)c1CN[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266145768 1042896099 /nfs/dbraw/zinc/89/60/99/1042896099.db2.gz CVDZTLSTBCKVQY-RBSFLKMASA-N 1 3 367.921 2.673 20 0 FFADHO COc1cccc(Cl)c1CN[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266145768 1042896101 /nfs/dbraw/zinc/89/61/01/1042896101.db2.gz CVDZTLSTBCKVQY-RBSFLKMASA-N 1 3 367.921 2.673 20 0 FFADHO Brc1ccc(C2=CC[N@H+](CC[C@@H]3CNCCO3)CC2)cc1 ZINC001237204153 1043051960 /nfs/dbraw/zinc/05/19/60/1043051960.db2.gz LBMAHZYJMWATFU-QGZVFWFLSA-N 1 3 351.288 2.917 20 0 FFADHO Brc1ccc(C2=CC[N@@H+](CC[C@@H]3CNCCO3)CC2)cc1 ZINC001237204153 1043051966 /nfs/dbraw/zinc/05/19/66/1043051966.db2.gz LBMAHZYJMWATFU-QGZVFWFLSA-N 1 3 351.288 2.917 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccccc2OC(C)(C)C)CCC12C[NH2+]C2 ZINC001237432947 1043157804 /nfs/dbraw/zinc/15/78/04/1043157804.db2.gz YDTIFXHTPGSVJJ-QGZVFWFLSA-N 1 3 360.498 2.839 20 0 FFADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC2(C1)CN(C1CCCC1)C2 ZINC001278097893 1043162925 /nfs/dbraw/zinc/16/29/25/1043162925.db2.gz IBZLHRGCLSZBIL-UHFFFAOYSA-N 1 3 353.510 2.983 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCCc1ccc(F)cc1)CC2 ZINC001278103059 1043188390 /nfs/dbraw/zinc/18/83/90/1043188390.db2.gz HUYQBGXQETYJPX-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO COc1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cnc1Cl ZINC001279798331 1043660548 /nfs/dbraw/zinc/66/05/48/1043660548.db2.gz FMHMPUIQSSRHGG-MOPGFXCFSA-N 1 3 366.937 2.830 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3cccc(F)c3F)(C1)C2 ZINC001279823685 1043711749 /nfs/dbraw/zinc/71/17/49/1043711749.db2.gz KFYXHYOQWCDXLP-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO CCOc1cc(F)c(F)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001238656236 1043805096 /nfs/dbraw/zinc/80/50/96/1043805096.db2.gz ORCIAEBCMRCZKP-UHFFFAOYSA-N 1 3 367.484 2.823 20 0 FFADHO Cc1cc(C)c(CN2CC[C@H]3C[C@]32C(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC001279994659 1044059005 /nfs/dbraw/zinc/05/90/05/1044059005.db2.gz WZGZSAAAMUPXRE-PGRDOPGGSA-N 1 3 355.526 2.787 20 0 FFADHO S=C(NCCN1CCCCC1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001239418090 1044117447 /nfs/dbraw/zinc/11/74/47/1044117447.db2.gz FKWWODKRBNPQMX-LJQANCHMSA-N 1 3 352.592 2.593 20 0 FFADHO C[NH+]1CCC(N2CCC3(CN(Cc4nc5ccccc5[nH]4)C3)CC2)CC1 ZINC001280071629 1044171742 /nfs/dbraw/zinc/17/17/42/1044171742.db2.gz WCQSMCXOGPUMIT-UHFFFAOYSA-N 1 3 353.514 2.555 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(CCc1cccc(C)c1)C2 ZINC001280148483 1044303197 /nfs/dbraw/zinc/30/31/97/1044303197.db2.gz IERVLHNAQXFOFF-HXUWFJFHSA-N 1 3 357.542 2.660 20 0 FFADHO C[NH+]1CCC(NC(=O)c2cc3c([nH]2)CN(CC2CCCCC2)CC3)CC1 ZINC001280235595 1044441088 /nfs/dbraw/zinc/44/10/88/1044441088.db2.gz TZTXDUVKCQDMLS-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+]1CCC(NC(=O)c2cc3c([nH]2)CN(C[C@@H]2CC=CCC2)CC3)CC1 ZINC001280237708 1044448710 /nfs/dbraw/zinc/44/87/10/1044448710.db2.gz SQAJSRBMLLIABE-MRXNPFEDSA-N 1 3 356.514 2.553 20 0 FFADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCCN1CCN(C)CC1 ZINC001280246091 1044461757 /nfs/dbraw/zinc/46/17/57/1044461757.db2.gz POSXRSWNFITOHS-FSSWDIPSSA-N 1 3 364.622 2.989 20 0 FFADHO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCCN1CCN(C)CC1 ZINC001280246091 1044461760 /nfs/dbraw/zinc/46/17/60/1044461760.db2.gz POSXRSWNFITOHS-FSSWDIPSSA-N 1 3 364.622 2.989 20 0 FFADHO CC[C@H](C)CN1CCc2nc(C(=O)N3CCC([NH+](C)C)CC3)ccc2C1 ZINC001280251447 1044474181 /nfs/dbraw/zinc/47/41/81/1044474181.db2.gz RTBPTEVGFGWMFI-INIZCTEOSA-N 1 3 358.530 2.652 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cnc1F ZINC001280328690 1044616712 /nfs/dbraw/zinc/61/67/12/1044616712.db2.gz JRBSZKHNSQBPBC-CALCHBBNSA-N 1 3 358.461 2.901 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cnc1F ZINC001280328690 1044616720 /nfs/dbraw/zinc/61/67/20/1044616720.db2.gz JRBSZKHNSQBPBC-CALCHBBNSA-N 1 3 358.461 2.901 20 0 FFADHO COc1ccc(Cl)c(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)c1F ZINC001278346183 1044732013 /nfs/dbraw/zinc/73/20/13/1044732013.db2.gz HMJDCZWUBCLHKV-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2CCN(Cc3cccnc3)CC2)CC[N@@H+]1C ZINC001319021065 1044987317 /nfs/dbraw/zinc/98/73/17/1044987317.db2.gz RPRCDTBYYJQMIZ-VQTJNVASSA-N 1 3 358.530 2.530 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2CCN(Cc3cccnc3)CC2)CC[N@H+]1C ZINC001319021065 1044987327 /nfs/dbraw/zinc/98/73/27/1044987327.db2.gz RPRCDTBYYJQMIZ-VQTJNVASSA-N 1 3 358.530 2.530 20 0 FFADHO CN1CCN(c2cccc(-c3ccc(CN4CC[NH2+]CC4)cc3)c2)CC1 ZINC001243670833 1044990938 /nfs/dbraw/zinc/99/09/38/1044990938.db2.gz SXKXXCOWYREWGS-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC001319087090 1045019813 /nfs/dbraw/zinc/01/98/13/1045019813.db2.gz UITZWEHZKXPNFO-YZGWKJHDSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC001319087090 1045019819 /nfs/dbraw/zinc/01/98/19/1045019819.db2.gz UITZWEHZKXPNFO-YZGWKJHDSA-N 1 3 356.514 2.529 20 0 FFADHO CN(CCNCc1cccc(F)c1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001317632929 1045116062 /nfs/dbraw/zinc/11/60/62/1045116062.db2.gz YGDYKCVKJXSUOJ-RTWAWAEBSA-N 1 3 369.484 2.719 20 0 FFADHO CN(CCNCc1cccc(F)c1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317632929 1045116064 /nfs/dbraw/zinc/11/60/64/1045116064.db2.gz YGDYKCVKJXSUOJ-RTWAWAEBSA-N 1 3 369.484 2.719 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001320413181 1045403104 /nfs/dbraw/zinc/40/31/04/1045403104.db2.gz TZYPRBJIRXHDLL-LEWJYISDSA-N 1 3 373.541 2.524 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001320413181 1045403106 /nfs/dbraw/zinc/40/31/06/1045403106.db2.gz TZYPRBJIRXHDLL-LEWJYISDSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001320741541 1045459542 /nfs/dbraw/zinc/45/95/42/1045459542.db2.gz JENHETWXMYKQIZ-QGZVFWFLSA-N 1 3 361.530 2.644 20 0 FFADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC001323395501 1045574766 /nfs/dbraw/zinc/57/47/66/1045574766.db2.gz BRULTCGOMPWEOB-XJKSGUPXSA-N 1 3 357.420 2.755 20 0 FFADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC001323395501 1045574779 /nfs/dbraw/zinc/57/47/79/1045574779.db2.gz BRULTCGOMPWEOB-XJKSGUPXSA-N 1 3 357.420 2.755 20 0 FFADHO CN1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001324090597 1045861611 /nfs/dbraw/zinc/86/16/11/1045861611.db2.gz YDGSNAAWTKQBTH-SEJPIABJSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001324090597 1045861619 /nfs/dbraw/zinc/86/16/19/1045861619.db2.gz YDGSNAAWTKQBTH-SEJPIABJSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001328203134 1048223109 /nfs/dbraw/zinc/22/31/09/1048223109.db2.gz LUJRTONBSZJLRH-INIZCTEOSA-N 1 3 364.493 2.683 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]CCCC(F)(F)F)cc1 ZINC001333706501 1049067073 /nfs/dbraw/zinc/06/70/73/1049067073.db2.gz RHYYLIRYMXJLGB-UHFFFAOYSA-N 1 3 357.420 2.944 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC001333769671 1049110112 /nfs/dbraw/zinc/11/01/12/1049110112.db2.gz PKSFDNWLPFNVOF-MRXNPFEDSA-N 1 3 364.921 2.910 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(Cl)cc2C1 ZINC001330718397 1049289727 /nfs/dbraw/zinc/28/97/27/1049289727.db2.gz MEKYTEGQQMDEPJ-HNNXBMFYSA-N 1 3 366.937 2.680 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(Cl)cc2C1 ZINC001330718397 1049289741 /nfs/dbraw/zinc/28/97/41/1049289741.db2.gz MEKYTEGQQMDEPJ-HNNXBMFYSA-N 1 3 366.937 2.680 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)N(C)Cc1ccccc1 ZINC001339784246 1050205084 /nfs/dbraw/zinc/20/50/84/1050205084.db2.gz KEAWKLHSGCOAQP-GFOJFJKKSA-N 1 3 372.557 2.879 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)N(C)C)cc1 ZINC001341629965 1050257417 /nfs/dbraw/zinc/25/74/17/1050257417.db2.gz NRYUEOLFBRGDCB-CGXNFDGLSA-N 1 3 373.541 2.515 20 0 FFADHO [NH3+][C@@H]1CCOC2(CC(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC001341663072 1050286831 /nfs/dbraw/zinc/28/68/31/1050286831.db2.gz PCIDVNIZGSHSOL-QHCGNWPDSA-N 1 3 371.525 2.616 20 0 FFADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001341715703 1050335502 /nfs/dbraw/zinc/33/55/02/1050335502.db2.gz CLDBCKNUNCKWDV-KRWDZBQOSA-N 1 3 366.465 2.521 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001341716570 1050337406 /nfs/dbraw/zinc/33/74/06/1050337406.db2.gz IFJUFJOUGRMFAO-ZBFHGGJFSA-N 1 3 369.431 2.698 20 0 FFADHO CCN(C(=O)c1ccn(CCC[NH3+])n1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001340056121 1050464617 /nfs/dbraw/zinc/46/46/17/1050464617.db2.gz HHAOUJHCUBXDBT-HKUYNNGSSA-N 1 3 369.513 2.530 20 0 FFADHO CN(CC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)CC(C)(C)C ZINC001342413403 1051009498 /nfs/dbraw/zinc/00/94/98/1051009498.db2.gz AZKLAZXTKMKZRY-KRWDZBQOSA-N 1 3 359.514 2.727 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCNc4ccccc43)CC2)CC1 ZINC001340839986 1051179123 /nfs/dbraw/zinc/17/91/23/1051179123.db2.gz UYPUHDUBQIXGFU-KRWDZBQOSA-N 1 3 370.541 2.651 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001304857073 1051743223 /nfs/dbraw/zinc/74/32/23/1051743223.db2.gz ZZAKMSCPYVWRIH-UHFFFAOYSA-N 1 3 374.577 2.773 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305613108 1051928298 /nfs/dbraw/zinc/92/82/98/1051928298.db2.gz HFSAIXRTNXORSZ-QGZVFWFLSA-N 1 3 374.577 2.950 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305613108 1051928305 /nfs/dbraw/zinc/92/83/05/1051928305.db2.gz HFSAIXRTNXORSZ-QGZVFWFLSA-N 1 3 374.577 2.950 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1 ZINC001306876933 1052208132 /nfs/dbraw/zinc/20/81/32/1052208132.db2.gz HPEFOUHOWZLRMW-TZMCWYRMSA-N 1 3 363.893 2.770 20 0 FFADHO COc1ccc(CNCc2ccnc(N3CC[NH+](C)CC3)c2)c(Cl)c1 ZINC001308203336 1052430777 /nfs/dbraw/zinc/43/07/77/1052430777.db2.gz PBQYWJQTWKUQDI-UHFFFAOYSA-N 1 3 360.889 2.785 20 0 FFADHO O=C(CC[NH2+]C1CCN(C2CCOCC2)CC1)Nc1cccc(Cl)c1 ZINC001335461339 1053378202 /nfs/dbraw/zinc/37/82/02/1053378202.db2.gz VLFLWDWYRYJDBF-UHFFFAOYSA-N 1 3 365.905 2.902 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C[C@@H](C)O1 ZINC001336739710 1054181397 /nfs/dbraw/zinc/18/13/97/1054181397.db2.gz QIPSPJJIEDRAFK-BRWVUGGUSA-N 1 3 370.921 2.559 20 0 FFADHO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@](C)(O)c1ccccc1 ZINC001336819226 1054254631 /nfs/dbraw/zinc/25/46/31/1054254631.db2.gz FGINNFSJEMUBQQ-YUXAGFNASA-N 1 3 354.494 2.509 20 0 FFADHO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@](C)(O)c1ccccc1 ZINC001336819226 1054254645 /nfs/dbraw/zinc/25/46/45/1054254645.db2.gz FGINNFSJEMUBQQ-YUXAGFNASA-N 1 3 354.494 2.509 20 0 FFADHO CC(C)OCc1ccccc1CNC(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001349389235 1055222208 /nfs/dbraw/zinc/22/22/08/1055222208.db2.gz JTPNNHYFYOXPRW-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO C[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCC[C@@H](C)C1 ZINC000849059883 1055614061 /nfs/dbraw/zinc/61/40/61/1055614061.db2.gz VCJNBROSNBCBBZ-IAGOWNOFSA-N 1 3 361.509 2.592 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849078986 1055631528 /nfs/dbraw/zinc/63/15/28/1055631528.db2.gz WETRTWRTGJTFSS-ROUUACIJSA-N 1 3 358.530 2.970 20 0 FFADHO CC[C@H](C)C[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001357413970 1055896745 /nfs/dbraw/zinc/89/67/45/1055896745.db2.gz KZRUFVOWCOSOKF-KXBFYZLASA-N 1 3 365.493 2.549 20 0 FFADHO S=C(NCCN1CCCCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001200425136 1056660671 /nfs/dbraw/zinc/66/06/71/1056660671.db2.gz FFTIXUCKEBPMBG-WOJBJXKFSA-N 1 3 372.582 2.553 20 0 FFADHO S=C(NCCN1CCCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001200425136 1056660676 /nfs/dbraw/zinc/66/06/76/1056660676.db2.gz FFTIXUCKEBPMBG-WOJBJXKFSA-N 1 3 372.582 2.553 20 0 FFADHO COCC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000849117326 1056769819 /nfs/dbraw/zinc/76/98/19/1056769819.db2.gz ZPFPCANKAXDWJG-UHFFFAOYSA-N 1 3 358.530 2.972 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(F)cc1F ZINC001300646527 1059140406 /nfs/dbraw/zinc/14/04/06/1059140406.db2.gz JASDSBMHLPVPHW-AWEZNQCLSA-N 1 3 355.473 2.631 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(F)cc1F ZINC001300646527 1059140418 /nfs/dbraw/zinc/14/04/18/1059140418.db2.gz JASDSBMHLPVPHW-AWEZNQCLSA-N 1 3 355.473 2.631 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H](NCc2cc(C)on2)C(C)C)CC[N@@H+]1C ZINC001506177460 1059449993 /nfs/dbraw/zinc/44/99/93/1059449993.db2.gz AMPDEMBQNTZQDS-IPMKNSEASA-N 1 3 364.534 2.676 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H](NCc2cc(C)on2)C(C)C)CC[N@H+]1C ZINC001506177460 1059450002 /nfs/dbraw/zinc/45/00/02/1059450002.db2.gz AMPDEMBQNTZQDS-IPMKNSEASA-N 1 3 364.534 2.676 20 0 FFADHO C[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN1C1CCCC1 ZINC001520684868 1059959870 /nfs/dbraw/zinc/95/98/70/1059959870.db2.gz KLTVSXDPURBFLM-QFBILLFUSA-N 1 3 365.587 2.679 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001355230900 1060012614 /nfs/dbraw/zinc/01/26/14/1060012614.db2.gz AQSUPJBHBSXVLW-RTBURBONSA-N 1 3 371.525 2.761 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001509424199 1060079761 /nfs/dbraw/zinc/07/97/61/1060079761.db2.gz CYBWORBLBAHMBD-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001509424199 1060079782 /nfs/dbraw/zinc/07/97/82/1060079782.db2.gz CYBWORBLBAHMBD-SFHVURJKSA-N 1 3 374.577 2.808 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)ccc1OC ZINC000848564623 1060284431 /nfs/dbraw/zinc/28/44/31/1060284431.db2.gz PSWISBJCJNYDOT-MAUKXSAKSA-N 1 3 371.529 2.874 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)ccc1OC ZINC000848564625 1060284948 /nfs/dbraw/zinc/28/49/48/1060284948.db2.gz PSWISBJCJNYDOT-YJBOKZPZSA-N 1 3 371.529 2.874 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001547635137 1071979549 /nfs/dbraw/zinc/97/95/49/1071979549.db2.gz CJBYOESKNXUOAQ-SQNIBIBYSA-N 1 3 362.566 2.770 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001547635137 1071979553 /nfs/dbraw/zinc/97/95/53/1071979553.db2.gz CJBYOESKNXUOAQ-SQNIBIBYSA-N 1 3 362.566 2.770 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001461323633 1061287989 /nfs/dbraw/zinc/28/79/89/1061287989.db2.gz GFYGDHFDNYVLKN-BLLLJJGKSA-N 1 3 367.440 2.642 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)N1CCc2ccccc2C1 ZINC001477291277 1061653741 /nfs/dbraw/zinc/65/37/41/1061653741.db2.gz JRXMNJTUJYLAAU-FXAWDEMLSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)N1CCc2ccccc2C1 ZINC001477291277 1061653754 /nfs/dbraw/zinc/65/37/54/1061653754.db2.gz JRXMNJTUJYLAAU-FXAWDEMLSA-N 1 3 358.530 2.607 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001478395022 1062001250 /nfs/dbraw/zinc/00/12/50/1062001250.db2.gz UJLWXCJNPMUZIP-NSHGMRRFSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001478395022 1062001274 /nfs/dbraw/zinc/00/12/74/1062001274.db2.gz UJLWXCJNPMUZIP-NSHGMRRFSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001492911771 1062260345 /nfs/dbraw/zinc/26/03/45/1062260345.db2.gz RLRNEXYOWJDCIL-HXUWFJFHSA-N 1 3 374.577 2.772 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001479453243 1062421011 /nfs/dbraw/zinc/42/10/11/1062421011.db2.gz ASQFXWNWSOYOGM-ZWKOTPCHSA-N 1 3 359.514 2.554 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCOc1cccc(Cl)c1 ZINC001479716912 1062898627 /nfs/dbraw/zinc/89/86/27/1062898627.db2.gz SUKVSEBIAAMESM-QAPCUYQASA-N 1 3 367.921 2.640 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC001465052704 1062957621 /nfs/dbraw/zinc/95/76/21/1062957621.db2.gz ZYIKIYBTZJGTIR-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+]3CCCC3(C)C)cc2)CC1 ZINC001465052704 1062957646 /nfs/dbraw/zinc/95/76/46/1062957646.db2.gz ZYIKIYBTZJGTIR-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001466170810 1063350341 /nfs/dbraw/zinc/35/03/41/1063350341.db2.gz LQXINVFXGKSCFH-GIVPXCGWSA-N 1 3 371.525 2.965 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC001466170810 1063350356 /nfs/dbraw/zinc/35/03/56/1063350356.db2.gz LQXINVFXGKSCFH-GIVPXCGWSA-N 1 3 371.525 2.965 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCc3ccccc3)CCN(C)C)C[N@@H+]2C1 ZINC001441721616 1063468254 /nfs/dbraw/zinc/46/82/54/1063468254.db2.gz DBBRHTSMJQEIDV-NRSPTQNISA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCc3ccccc3)CCN(C)C)C[N@H+]2C1 ZINC001441721616 1063468263 /nfs/dbraw/zinc/46/82/63/1063468263.db2.gz DBBRHTSMJQEIDV-NRSPTQNISA-N 1 3 357.542 2.740 20 0 FFADHO CC(C)C[C@H](NCc1ccc2c(c1)C[NH2+]CC2)C(=O)Nc1nccs1 ZINC001575549292 1078151786 /nfs/dbraw/zinc/15/17/86/1078151786.db2.gz JJSWEMAYDIPJIN-KRWDZBQOSA-N 1 3 358.511 2.932 20 0 FFADHO CC(C)c1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001575883859 1078173130 /nfs/dbraw/zinc/17/31/30/1078173130.db2.gz CTBSIGUVBYXOLJ-SJLPKXTDSA-N 1 3 356.518 2.503 20 0 FFADHO CC(C)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@@H](c1cccs1)N(C)C ZINC001575887790 1078173657 /nfs/dbraw/zinc/17/36/57/1078173657.db2.gz ULGBOCCPJAWJBM-CABCVRRESA-N 1 3 362.547 2.693 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001576312357 1078214849 /nfs/dbraw/zinc/21/48/49/1078214849.db2.gz XSWCYYLEGKVEMN-WQZMEWCLSA-N 1 3 356.514 2.653 20 0 FFADHO CC1(C)CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)[NH2+]C1 ZINC001576416709 1078226921 /nfs/dbraw/zinc/22/69/21/1078226921.db2.gz JDOYOMHNFCRURC-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CN1Cc1ccccc1 ZINC001576617587 1078250234 /nfs/dbraw/zinc/25/02/34/1078250234.db2.gz ROUDDFRSTKHUOC-SAJDGTNDSA-N 1 3 356.514 2.562 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001576693206 1078261605 /nfs/dbraw/zinc/26/16/05/1078261605.db2.gz BJIYAPZSLLQBTA-FXAWDEMLSA-N 1 3 358.530 2.655 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001576693206 1078261610 /nfs/dbraw/zinc/26/16/10/1078261610.db2.gz BJIYAPZSLLQBTA-FXAWDEMLSA-N 1 3 358.530 2.655 20 0 FFADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001576895352 1078285130 /nfs/dbraw/zinc/28/51/30/1078285130.db2.gz BGRJOYXHDUJBJP-AEFFLSMTSA-N 1 3 359.514 2.518 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1[NH2+]CC[C@@H]1C ZINC001577027080 1078296140 /nfs/dbraw/zinc/29/61/40/1078296140.db2.gz JVNPDQJPYFLQLU-JENIJYKNSA-N 1 3 374.577 2.854 20 0 FFADHO CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@H](c1ccco1)N(CC)CC ZINC001577658133 1078385416 /nfs/dbraw/zinc/38/54/16/1078385416.db2.gz XIPNGSAIGHYEQX-QGZVFWFLSA-N 1 3 374.533 2.877 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccsc1 ZINC001577680938 1078387397 /nfs/dbraw/zinc/38/73/97/1078387397.db2.gz IBTVVCVPZMEDGM-NUJGCVRESA-N 1 3 350.532 2.654 20 0 FFADHO CN(C)[C@@H](Cn1c(N2CC[C@@H]([NH3+])C2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001578407706 1078470746 /nfs/dbraw/zinc/47/07/46/1078470746.db2.gz BGMLAFJJWOPBFO-SJORKVTESA-N 1 3 374.508 2.555 20 0 FFADHO CN(CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)Cc1ccncc1 ZINC001578466414 1078477575 /nfs/dbraw/zinc/47/75/75/1078477575.db2.gz LAMVKNPVPHWHBM-ZCNNSNEGSA-N 1 3 358.530 2.673 20 0 FFADHO CN(CCn1c(C2CCCC2)nnc1N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC001578481502 1078478770 /nfs/dbraw/zinc/47/87/70/1078478770.db2.gz OWUOSNAHCNURIK-LJQANCHMSA-N 1 3 368.529 2.605 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)cc1 ZINC001579691397 1078663715 /nfs/dbraw/zinc/66/37/15/1078663715.db2.gz ZQEMAXHPKIOCNX-WOJBJXKFSA-N 1 3 355.457 2.567 20 0 FFADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001580222244 1078767935 /nfs/dbraw/zinc/76/79/35/1078767935.db2.gz PCKMBENGGCCCHK-UXHICEINSA-N 1 3 358.530 2.858 20 0 FFADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC001548474631 1073415938 /nfs/dbraw/zinc/41/59/38/1073415938.db2.gz XOQXYFNBMYPMKJ-NHCUHLMSSA-N 1 3 371.525 2.608 20 0 FFADHO O=C(NC[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001550080708 1074140325 /nfs/dbraw/zinc/14/03/25/1074140325.db2.gz BFPLEWYDMZRQQG-MSOLQXFVSA-N 1 3 359.489 2.544 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccnn1CC1CCC1)[C@@H](O)C2 ZINC001550521164 1074330805 /nfs/dbraw/zinc/33/08/05/1074330805.db2.gz AKHAPQIRZVQGHY-CZKYVTRISA-N 1 3 360.546 2.814 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1ccnn1CC1CCC1)[C@@H](O)C2 ZINC001550521164 1074330812 /nfs/dbraw/zinc/33/08/12/1074330812.db2.gz AKHAPQIRZVQGHY-CZKYVTRISA-N 1 3 360.546 2.814 20 0 FFADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(-n2cncn2)cc1 ZINC001551388608 1074710648 /nfs/dbraw/zinc/71/06/48/1074710648.db2.gz HDZUNKOKKZXGTI-FQVISZRSSA-N 1 3 369.513 2.951 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)CC2)c1 ZINC001584161590 1079315329 /nfs/dbraw/zinc/31/53/29/1079315329.db2.gz JIECQJNMJIPEFM-IBGZPJMESA-N 1 3 373.541 2.896 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CCC[N@H+](C(C)C)C3)CC2)c1 ZINC001584161590 1079315333 /nfs/dbraw/zinc/31/53/33/1079315333.db2.gz JIECQJNMJIPEFM-IBGZPJMESA-N 1 3 373.541 2.896 20 0 FFADHO CN(C(=O)NC1CCC2(C[C@@H]2[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001551548230 1074752524 /nfs/dbraw/zinc/75/25/24/1074752524.db2.gz HACZRXHZJPWDMT-LSNYBQGISA-N 1 3 356.514 2.562 20 0 FFADHO CCN1CC[C@H]2OCCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC001552061588 1074918559 /nfs/dbraw/zinc/91/85/59/1074918559.db2.gz AWLRREOFIAOIMW-NHCUHLMSSA-N 1 3 371.525 2.608 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC001552395653 1075072302 /nfs/dbraw/zinc/07/23/02/1075072302.db2.gz FFPORFITZWDYAQ-UXPWSPDFSA-N 1 3 371.431 2.761 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@H]3CCC[NH2+]3)C2)N2CCCC2)cc1 ZINC001553436464 1075308151 /nfs/dbraw/zinc/30/81/51/1075308151.db2.gz BSDRNKRIHFJKMC-NJYVYQBISA-N 1 3 370.541 2.915 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001556200927 1075715523 /nfs/dbraw/zinc/71/55/23/1075715523.db2.gz IXBQPQZBKVVPPO-NJYVYQBISA-N 1 3 373.541 2.514 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)CCC1 ZINC001557787208 1075891020 /nfs/dbraw/zinc/89/10/20/1075891020.db2.gz YCECXRMWJYFLMZ-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO COCc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC001560266632 1076258665 /nfs/dbraw/zinc/25/86/65/1076258665.db2.gz KMMBJLCZNXKMIT-UHFFFAOYSA-N 1 3 353.510 2.870 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OC(F)F ZINC001560395054 1076269931 /nfs/dbraw/zinc/26/99/31/1076269931.db2.gz AOMAXIOJZYQMTE-HOTGVXAUSA-N 1 3 370.440 2.764 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc2nsnc21 ZINC001560412587 1076271679 /nfs/dbraw/zinc/27/16/79/1076271679.db2.gz ALMIWHLOADABMY-GOSISDBHSA-N 1 3 368.506 2.938 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc2nsnc21 ZINC001560412587 1076271684 /nfs/dbraw/zinc/27/16/84/1076271684.db2.gz ALMIWHLOADABMY-GOSISDBHSA-N 1 3 368.506 2.938 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001565915509 1076799827 /nfs/dbraw/zinc/79/98/27/1076799827.db2.gz XSOLXSQZSRSOLX-UONOGXRCSA-N 1 3 360.424 2.868 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001566338649 1076948085 /nfs/dbraw/zinc/94/80/85/1076948085.db2.gz PQWQVIMHWKRCCI-SYGLAOGMSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001566338649 1076948088 /nfs/dbraw/zinc/94/80/88/1076948088.db2.gz PQWQVIMHWKRCCI-SYGLAOGMSA-N 1 3 355.526 2.886 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001570197619 1077189167 /nfs/dbraw/zinc/18/91/67/1077189167.db2.gz OYMJDKCQPOUUMA-RBUKOAKNSA-N 1 3 367.484 2.975 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001570197619 1077189171 /nfs/dbraw/zinc/18/91/71/1077189171.db2.gz OYMJDKCQPOUUMA-RBUKOAKNSA-N 1 3 367.484 2.975 20 0 FFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000420368578 514111419 /nfs/dbraw/zinc/11/14/19/514111419.db2.gz UGKPKFRBGJKQRH-CQSZACIVSA-N 1 3 354.292 2.755 20 0 FFADHO c1[nH]nc(-c2cccnc2)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735150 250042038 /nfs/dbraw/zinc/04/20/38/250042038.db2.gz MSLBFHMHYPQSOA-UHFFFAOYSA-N 1 3 355.486 2.549 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000103298861 250142400 /nfs/dbraw/zinc/14/24/00/250142400.db2.gz SKXQUOIELASZDS-KRWDZBQOSA-N 1 3 364.559 2.916 20 0 FFADHO C[NH+]1CCC(CCNCc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000105455083 250213177 /nfs/dbraw/zinc/21/31/77/250213177.db2.gz ATAHYZLSSFFVKE-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000153590616 251151450 /nfs/dbraw/zinc/15/14/50/251151450.db2.gz HNJNWLRSMDEXDJ-RMRKRWHISA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000153590616 251151456 /nfs/dbraw/zinc/15/14/56/251151456.db2.gz HNJNWLRSMDEXDJ-RMRKRWHISA-N 1 3 360.420 2.763 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C ZINC000173568423 251207512 /nfs/dbraw/zinc/20/75/12/251207512.db2.gz BBUJTJPALJOHEQ-PXNSSMCTSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000272593862 252076110 /nfs/dbraw/zinc/07/61/10/252076110.db2.gz OHHGUPZBJBVPHG-PMXSJFBMSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000272593862 252076113 /nfs/dbraw/zinc/07/61/13/252076113.db2.gz OHHGUPZBJBVPHG-PMXSJFBMSA-N 1 3 370.541 2.775 20 0 FFADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000272860429 252150657 /nfs/dbraw/zinc/15/06/57/252150657.db2.gz LZPLQCQNNHOVKN-PKOBYXMFSA-N 1 3 351.441 2.699 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1=CCN(C)CC1 ZINC000272876936 252153517 /nfs/dbraw/zinc/15/35/17/252153517.db2.gz XKUPCGHEVLOADS-QGZVFWFLSA-N 1 3 356.514 2.732 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272776971 252128391 /nfs/dbraw/zinc/12/83/91/252128391.db2.gz QYTVUOOKUBTQRI-KRWDZBQOSA-N 1 3 358.530 2.978 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000279221899 256394761 /nfs/dbraw/zinc/39/47/61/256394761.db2.gz PAWSXIMSRPNQTJ-QRFRQXIXSA-N 1 3 361.530 2.925 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000279221899 256394763 /nfs/dbraw/zinc/39/47/63/256394763.db2.gz PAWSXIMSRPNQTJ-QRFRQXIXSA-N 1 3 361.530 2.925 20 0 FFADHO Cn1ncc(Br)c1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000278820287 256351380 /nfs/dbraw/zinc/35/13/80/256351380.db2.gz TWIVEPBNWPQWMA-UHFFFAOYSA-N 1 3 364.291 2.584 20 0 FFADHO Cc1ccnc2ccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc12 ZINC000285996030 257015113 /nfs/dbraw/zinc/01/51/13/257015113.db2.gz NINZRYAPGNZFLQ-UHFFFAOYSA-N 1 3 366.509 2.832 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000286162997 257023199 /nfs/dbraw/zinc/02/31/99/257023199.db2.gz QLQDOUHLNZGJNL-GDBMZVCRSA-N 1 3 357.420 2.723 20 0 FFADHO CCS(=O)(=O)C[C@H](C)[NH2+]C1CCC(N(C)Cc2ccccc2)CC1 ZINC000286356089 257032742 /nfs/dbraw/zinc/03/27/42/257032742.db2.gz YYRWVQFYMRHJIA-IVMQYODDSA-N 1 3 352.544 2.842 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000286962901 257064109 /nfs/dbraw/zinc/06/41/09/257064109.db2.gz HZKLOOQFTKPTJO-XEVCZEQESA-N 1 3 364.555 2.844 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000287358370 257085345 /nfs/dbraw/zinc/08/53/45/257085345.db2.gz BBFSZXGJJQWUSL-ZMWHVPEISA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000287358370 257085346 /nfs/dbraw/zinc/08/53/46/257085346.db2.gz BBFSZXGJJQWUSL-ZMWHVPEISA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000287959138 257133356 /nfs/dbraw/zinc/13/33/56/257133356.db2.gz HXTWUOSXJXPRHJ-UOILWBJISA-N 1 3 370.541 2.916 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000287959138 257133358 /nfs/dbraw/zinc/13/33/58/257133358.db2.gz HXTWUOSXJXPRHJ-UOILWBJISA-N 1 3 370.541 2.916 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288580196 257208003 /nfs/dbraw/zinc/20/80/03/257208003.db2.gz YDWAEQFCVOLRTA-BLMTVLTRSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288580196 257208005 /nfs/dbraw/zinc/20/80/05/257208005.db2.gz YDWAEQFCVOLRTA-BLMTVLTRSA-N 1 3 358.530 2.774 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CC1 ZINC000289390835 257278327 /nfs/dbraw/zinc/27/83/27/257278327.db2.gz DYYFSUSAAKSTQF-UHFFFAOYSA-N 1 3 371.504 2.675 20 0 FFADHO Cc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(-c2cnn(C)c2)c1 ZINC000289764683 257298180 /nfs/dbraw/zinc/29/81/80/257298180.db2.gz KDJVNOYJPJFBKD-UHFFFAOYSA-N 1 3 369.557 2.853 20 0 FFADHO Cc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(-c2cnn(C)c2)c1 ZINC000289764683 257298181 /nfs/dbraw/zinc/29/81/81/257298181.db2.gz KDJVNOYJPJFBKD-UHFFFAOYSA-N 1 3 369.557 2.853 20 0 FFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000290368796 257328355 /nfs/dbraw/zinc/32/83/55/257328355.db2.gz KBJSUTFHAWKFEO-UXHICEINSA-N 1 3 358.530 2.781 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CC[NH2+][C@@H]3C(C)C)CC2)cc1 ZINC000289602106 257289409 /nfs/dbraw/zinc/28/94/09/257289409.db2.gz BQBVGKCTAUUPQT-NHCUHLMSSA-N 1 3 373.541 2.658 20 0 FFADHO CCN1CCCN(c2nc(C(C)C)cc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000302129846 258089801 /nfs/dbraw/zinc/08/98/01/258089801.db2.gz ATGPKVGBJSBZDV-UHFFFAOYSA-N 1 3 374.577 2.664 20 0 FFADHO CCN1CCCN(c2nc(C(C)C)cc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000302129846 258089802 /nfs/dbraw/zinc/08/98/02/258089802.db2.gz ATGPKVGBJSBZDV-UHFFFAOYSA-N 1 3 374.577 2.664 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000331377959 258183648 /nfs/dbraw/zinc/18/36/48/258183648.db2.gz FMJXFTICVGCBEN-XFQAVAEZSA-N 1 3 359.514 2.518 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333257271 258258636 /nfs/dbraw/zinc/25/86/36/258258636.db2.gz FNTGCQUVJOBGSB-OALUTQOASA-N 1 3 360.498 2.705 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000269080679 510225621 /nfs/dbraw/zinc/22/56/21/510225621.db2.gz ZNKMQVVRRXYXBT-HNNXBMFYSA-N 1 3 357.267 2.622 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccc(OC)cc2)[C@H](C)C2CC2)CC1 ZINC000053098215 506312927 /nfs/dbraw/zinc/31/29/27/506312927.db2.gz ZBGLCELKOZSANC-QGZVFWFLSA-N 1 3 373.541 2.896 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066191086 506443962 /nfs/dbraw/zinc/44/39/62/506443962.db2.gz ZQDZSMKTJXNCJR-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO C[N@H+](CCN1CCN(CCCCCn2cccn2)CC1)Cc1ccccc1 ZINC000066534127 506548193 /nfs/dbraw/zinc/54/81/93/506548193.db2.gz YIHRZVDLUUEHIB-UHFFFAOYSA-N 1 3 369.557 2.803 20 0 FFADHO C[N@@H+](CCN1CCN(CCCCCn2cccn2)CC1)Cc1ccccc1 ZINC000066534127 506548206 /nfs/dbraw/zinc/54/82/06/506548206.db2.gz YIHRZVDLUUEHIB-UHFFFAOYSA-N 1 3 369.557 2.803 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000054511724 506571277 /nfs/dbraw/zinc/57/12/77/506571277.db2.gz HMRKSCUOCNKFRA-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000054511724 506571278 /nfs/dbraw/zinc/57/12/78/506571278.db2.gz HMRKSCUOCNKFRA-SFHVURJKSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000054719576 506608985 /nfs/dbraw/zinc/60/89/85/506608985.db2.gz NIDCGLSHCDQXHJ-WSTZPKSXSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000054719576 506608993 /nfs/dbraw/zinc/60/89/93/506608993.db2.gz NIDCGLSHCDQXHJ-WSTZPKSXSA-N 1 3 358.530 2.853 20 0 FFADHO CCOC(CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OCC ZINC000373355221 512288282 /nfs/dbraw/zinc/28/82/82/512288282.db2.gz UCWFNBBYCYPUMS-UHFFFAOYSA-N 1 3 355.567 2.514 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000045191364 506930507 /nfs/dbraw/zinc/93/05/07/506930507.db2.gz JZDIBKGDOXFSKA-SFHVURJKSA-N 1 3 358.530 2.814 20 0 FFADHO COc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000062253048 507661122 /nfs/dbraw/zinc/66/11/22/507661122.db2.gz FGRYXQZEEODMGC-HOTGVXAUSA-N 1 3 366.502 2.691 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000050799064 507713186 /nfs/dbraw/zinc/71/31/86/507713186.db2.gz MQPIUULXIFGALA-OAQYLSRUSA-N 1 3 355.526 2.781 20 0 FFADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000050797173 507713464 /nfs/dbraw/zinc/71/34/64/507713464.db2.gz UGNUGMIXOVIJSW-INIZCTEOSA-N 1 3 361.505 2.994 20 0 FFADHO CN(Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377618002 512356198 /nfs/dbraw/zinc/35/61/98/512356198.db2.gz BNNQVOWRKDMRCH-FQEVSTJZSA-N 1 3 353.514 2.677 20 0 FFADHO CN(Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377618002 512356200 /nfs/dbraw/zinc/35/62/00/512356200.db2.gz BNNQVOWRKDMRCH-FQEVSTJZSA-N 1 3 353.514 2.677 20 0 FFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(-c2ccncc2)cc1F ZINC000377617903 512356279 /nfs/dbraw/zinc/35/62/79/512356279.db2.gz AXUHHWNHWNINCW-UHFFFAOYSA-N 1 3 356.489 2.957 20 0 FFADHO CN(CC1CCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758810 507783783 /nfs/dbraw/zinc/78/37/83/507783783.db2.gz KGFLIFNAPKBIRM-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccc4c(c3)COC(C)(C)O4)CC2)CC1 ZINC000377625062 512361818 /nfs/dbraw/zinc/36/18/18/512361818.db2.gz KTNBXDGHOPVQKZ-UHFFFAOYSA-N 1 3 373.541 2.791 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N(C)C ZINC000106911815 507828479 /nfs/dbraw/zinc/82/84/79/507828479.db2.gz WFFVJKAZDPYZAK-PKOBYXMFSA-N 1 3 359.514 2.677 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)CC1 ZINC000107327587 507843938 /nfs/dbraw/zinc/84/39/38/507843938.db2.gz VZMHNTFKNMWZIR-OAQYLSRUSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccnc1 ZINC000090028464 507903085 /nfs/dbraw/zinc/90/30/85/507903085.db2.gz TYHIXDSWOMSUJQ-KRWDZBQOSA-N 1 3 352.482 2.758 20 0 FFADHO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038645 507903645 /nfs/dbraw/zinc/90/36/45/507903645.db2.gz CVGQRPIKSPLWJW-MRXNPFEDSA-N 1 3 357.473 2.838 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC000108568026 507905848 /nfs/dbraw/zinc/90/58/48/507905848.db2.gz JMRTYOONELGAFA-LEWJYISDSA-N 1 3 370.541 2.915 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)N2CCCC2)cc1 ZINC000108568026 507905849 /nfs/dbraw/zinc/90/58/49/507905849.db2.gz JMRTYOONELGAFA-LEWJYISDSA-N 1 3 370.541 2.915 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000073495365 507925759 /nfs/dbraw/zinc/92/57/59/507925759.db2.gz DHAMXUCDHWFHHF-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000073495365 507925761 /nfs/dbraw/zinc/92/57/61/507925761.db2.gz DHAMXUCDHWFHHF-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000090524549 507926346 /nfs/dbraw/zinc/92/63/46/507926346.db2.gz UHRWZZSBLRHWSF-IPELMVKDSA-N 1 3 360.498 2.876 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cccc(OCCN(C)C)c1 ZINC000090802118 507937089 /nfs/dbraw/zinc/93/70/89/507937089.db2.gz KVAYYEYCFVXHFI-PKOBYXMFSA-N 1 3 354.498 2.952 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC000092100937 508043230 /nfs/dbraw/zinc/04/32/30/508043230.db2.gz OTKGDJHMQPWFJW-HXUWFJFHSA-N 1 3 372.557 2.519 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC000092100937 508043232 /nfs/dbraw/zinc/04/32/32/508043232.db2.gz OTKGDJHMQPWFJW-HXUWFJFHSA-N 1 3 372.557 2.519 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000080166944 508046443 /nfs/dbraw/zinc/04/64/43/508046443.db2.gz CYJJSXZWMRKTBH-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110812898 508049507 /nfs/dbraw/zinc/04/95/07/508049507.db2.gz XGSPGHAGBUIPFX-RXVVDRJESA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110812898 508049510 /nfs/dbraw/zinc/04/95/10/508049510.db2.gz XGSPGHAGBUIPFX-RXVVDRJESA-N 1 3 357.542 2.788 20 0 FFADHO CC(C)[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000371402189 512378456 /nfs/dbraw/zinc/37/84/56/512378456.db2.gz VHZQJNGISRUQCA-UZLBHIALSA-N 1 3 372.513 2.989 20 0 FFADHO CC[N@H+](CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000074872258 508065686 /nfs/dbraw/zinc/06/56/86/508065686.db2.gz NSJXZWGBUUKOOA-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000074872258 508065688 /nfs/dbraw/zinc/06/56/88/508065688.db2.gz NSJXZWGBUUKOOA-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1ccsc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426874 508070650 /nfs/dbraw/zinc/07/06/50/508070650.db2.gz ZBODMCUTRCWSCG-UHFFFAOYSA-N 1 3 351.560 2.973 20 0 FFADHO C[C@H](CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000092500941 508075412 /nfs/dbraw/zinc/07/54/12/508075412.db2.gz MUWVPIPZAXOBKF-QGZVFWFLSA-N 1 3 373.545 2.812 20 0 FFADHO C[C@H](CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000092500941 508075416 /nfs/dbraw/zinc/07/54/16/508075416.db2.gz MUWVPIPZAXOBKF-QGZVFWFLSA-N 1 3 373.545 2.812 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000377652025 512377045 /nfs/dbraw/zinc/37/70/45/512377045.db2.gz VQAITFZHTJJUNR-OAQYLSRUSA-N 1 3 370.541 2.529 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N(C)Cc1ccccc1 ZINC000080692067 508094646 /nfs/dbraw/zinc/09/46/46/508094646.db2.gz RSDJBDASHDCFOO-GHTZIAJQSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N(C)Cc1ccccc1 ZINC000080692067 508094647 /nfs/dbraw/zinc/09/46/47/508094647.db2.gz RSDJBDASHDCFOO-GHTZIAJQSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N(C)Cc1ccccc1 ZINC000080692084 508095147 /nfs/dbraw/zinc/09/51/47/508095147.db2.gz RSDJBDASHDCFOO-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N(C)Cc1ccccc1 ZINC000080692084 508095150 /nfs/dbraw/zinc/09/51/50/508095150.db2.gz RSDJBDASHDCFOO-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3ccnn3C)CC2)CC1 ZINC000092810507 508102319 /nfs/dbraw/zinc/10/23/19/508102319.db2.gz APTBCTAUIXSAOT-UHFFFAOYSA-N 1 3 367.541 2.942 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000093126383 508122075 /nfs/dbraw/zinc/12/20/75/508122075.db2.gz VVKIEQXJLUYVKU-GOSISDBHSA-N 1 3 371.529 2.614 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000093126383 508122077 /nfs/dbraw/zinc/12/20/77/508122077.db2.gz VVKIEQXJLUYVKU-GOSISDBHSA-N 1 3 371.529 2.614 20 0 FFADHO CC1CC[NH+](CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000097361314 508223950 /nfs/dbraw/zinc/22/39/50/508223950.db2.gz MRXHSBWLHVTGLM-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000098030425 508231760 /nfs/dbraw/zinc/23/17/60/508231760.db2.gz SXNCGZUQWRYEAB-QZTJIDSGSA-N 1 3 350.551 2.624 20 0 FFADHO COc1cc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000083453702 508246497 /nfs/dbraw/zinc/24/64/97/508246497.db2.gz KFKAMNOZHAWIRW-IAGOWNOFSA-N 1 3 350.503 2.991 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076993846 508272184 /nfs/dbraw/zinc/27/21/84/508272184.db2.gz SRFUNXCYIRRDJJ-KGLIPLIRSA-N 1 3 355.885 2.534 20 0 FFADHO Cc1nc(-c2ccccc2)sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211265 508302106 /nfs/dbraw/zinc/30/21/06/508302106.db2.gz NJCQYDLNQQUCQV-UHFFFAOYSA-N 1 3 360.527 2.684 20 0 FFADHO C[NH+](C)CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000114674918 508336159 /nfs/dbraw/zinc/33/61/59/508336159.db2.gz IUMTXYPWAJZHBD-KRWDZBQOSA-N 1 3 357.420 2.509 20 0 FFADHO CCOc1c(Cl)cc(CNCCC[N@@H+]2CCCN(C)CC2)cc1OC ZINC000105477034 508374208 /nfs/dbraw/zinc/37/42/08/508374208.db2.gz WRRKGPZYAQFBJY-UHFFFAOYSA-N 1 3 369.937 2.865 20 0 FFADHO CCOc1c(Cl)cc(CNCCC[N@H+]2CCCN(C)CC2)cc1OC ZINC000105477034 508374210 /nfs/dbraw/zinc/37/42/10/508374210.db2.gz WRRKGPZYAQFBJY-UHFFFAOYSA-N 1 3 369.937 2.865 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000157039800 508513889 /nfs/dbraw/zinc/51/38/89/508513889.db2.gz ONZXJTPWQACJBY-SFTDATJTSA-N 1 3 373.541 2.733 20 0 FFADHO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000157241067 508541555 /nfs/dbraw/zinc/54/15/55/508541555.db2.gz YHOASOVUYIXUEV-INIZCTEOSA-N 1 3 352.548 2.867 20 0 FFADHO COc1cc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)ccc1SC ZINC000128138419 508553242 /nfs/dbraw/zinc/55/32/42/508553242.db2.gz NSXZDZSSVATOJW-HOCLYGCPSA-N 1 3 365.543 2.655 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000157896309 508629097 /nfs/dbraw/zinc/62/90/97/508629097.db2.gz NSNQGNJONNVRFW-IRXDYDNUSA-N 1 3 367.559 2.900 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000157896309 508629099 /nfs/dbraw/zinc/62/90/99/508629099.db2.gz NSNQGNJONNVRFW-IRXDYDNUSA-N 1 3 367.559 2.900 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000119085303 508722560 /nfs/dbraw/zinc/72/25/60/508722560.db2.gz WPMCUTVBZKUYDV-YLJYHZDGSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000123859004 508748448 /nfs/dbraw/zinc/74/84/48/508748448.db2.gz AUAYXZKDRWWKJK-PKOBYXMFSA-N 1 3 361.505 2.886 20 0 FFADHO COc1cc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)ccc1OC(F)F ZINC000154362609 508768234 /nfs/dbraw/zinc/76/82/34/508768234.db2.gz LLYCKEPRYVGDDX-HNNXBMFYSA-N 1 3 371.472 2.975 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000138969325 508782208 /nfs/dbraw/zinc/78/22/08/508782208.db2.gz XUSZIOHJVIOIII-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000138969325 508782211 /nfs/dbraw/zinc/78/22/11/508782211.db2.gz XUSZIOHJVIOIII-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000138969431 508782352 /nfs/dbraw/zinc/78/23/52/508782352.db2.gz XUSZIOHJVIOIII-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000138969431 508782355 /nfs/dbraw/zinc/78/23/55/508782355.db2.gz XUSZIOHJVIOIII-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000124555163 508850988 /nfs/dbraw/zinc/85/09/88/508850988.db2.gz ZKTKLWXIISQJCQ-HOTGVXAUSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000124555163 508850992 /nfs/dbraw/zinc/85/09/92/508850992.db2.gz ZKTKLWXIISQJCQ-HOTGVXAUSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000124555163 508850995 /nfs/dbraw/zinc/85/09/95/508850995.db2.gz ZKTKLWXIISQJCQ-HOTGVXAUSA-N 1 3 363.468 2.984 20 0 FFADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000124555163 508850997 /nfs/dbraw/zinc/85/09/97/508850997.db2.gz ZKTKLWXIISQJCQ-HOTGVXAUSA-N 1 3 363.468 2.984 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000130997874 508875594 /nfs/dbraw/zinc/87/55/94/508875594.db2.gz KBXWFDUODLXWDU-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000130997874 508875595 /nfs/dbraw/zinc/87/55/95/508875595.db2.gz KBXWFDUODLXWDU-SFHVURJKSA-N 1 3 352.567 2.870 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000155098282 508922105 /nfs/dbraw/zinc/92/21/05/508922105.db2.gz DFLVSLPEQQYXEN-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000131571957 508950982 /nfs/dbraw/zinc/95/09/82/508950982.db2.gz WSUHMTNEUBNBJW-MRXNPFEDSA-N 1 3 371.529 2.533 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000120937532 509092371 /nfs/dbraw/zinc/09/23/71/509092371.db2.gz NDNNLRDSDMMNNL-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000120937532 509092374 /nfs/dbraw/zinc/09/23/74/509092374.db2.gz NDNNLRDSDMMNNL-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000151909269 509109212 /nfs/dbraw/zinc/10/92/12/509109212.db2.gz RKACPXIGZOBZIB-KCZVDYSFSA-N 1 3 358.574 2.513 20 0 FFADHO CC1CCN([C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)c2cccs2)CC1 ZINC000133367767 509152036 /nfs/dbraw/zinc/15/20/36/509152036.db2.gz YWKOHJRFIJGBIZ-JKSUJKDBSA-N 1 3 367.584 2.732 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000126991757 509156822 /nfs/dbraw/zinc/15/68/22/509156822.db2.gz MSGKHPILYDTIHE-LMCOJAPRSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000188712601 509227349 /nfs/dbraw/zinc/22/73/49/509227349.db2.gz XEMVGCZSFGQWLT-CQSZACIVSA-N 1 3 353.470 2.682 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000188712601 509227355 /nfs/dbraw/zinc/22/73/55/509227355.db2.gz XEMVGCZSFGQWLT-CQSZACIVSA-N 1 3 353.470 2.682 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000188716565 509228589 /nfs/dbraw/zinc/22/85/89/509228589.db2.gz ASAPKXQGBRFRBB-UHFFFAOYSA-N 1 3 370.607 2.721 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000179084829 509255698 /nfs/dbraw/zinc/25/56/98/509255698.db2.gz YMXQETBXPDXYCD-RTBURBONSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([S@](C)=O)cc1 ZINC000248445065 509323850 /nfs/dbraw/zinc/32/38/50/509323850.db2.gz MJSLWAFGXXBPQO-FTVBGQFJSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([S@](C)=O)cc1 ZINC000248445065 509323853 /nfs/dbraw/zinc/32/38/53/509323853.db2.gz MJSLWAFGXXBPQO-FTVBGQFJSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NC[C@@H](O)COCc1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576117 509373699 /nfs/dbraw/zinc/37/36/99/509373699.db2.gz NKOBTVMCRUGZEQ-XYJFISCASA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H](NC[C@@H](O)COCc1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248576117 509373705 /nfs/dbraw/zinc/37/37/05/509373705.db2.gz NKOBTVMCRUGZEQ-XYJFISCASA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COCc1cccs1)[C@H]1CCCN(C2CCC2)C1 ZINC000248576117 509373715 /nfs/dbraw/zinc/37/37/15/509373715.db2.gz NKOBTVMCRUGZEQ-XYJFISCASA-N 1 3 352.544 2.868 20 0 FFADHO C[C@H](CCNC(=O)N1CCC[C@H]1CN1CCCCC1)[NH+]1CCCCC1 ZINC000182691039 509376129 /nfs/dbraw/zinc/37/61/29/509376129.db2.gz VTJSYQVRSJSPEU-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248603229 509385008 /nfs/dbraw/zinc/38/50/08/509385008.db2.gz VRACUBCARYHZJX-FRQCXROJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248603229 509385012 /nfs/dbraw/zinc/38/50/12/509385012.db2.gz VRACUBCARYHZJX-FRQCXROJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248603229 509385016 /nfs/dbraw/zinc/38/50/16/509385016.db2.gz VRACUBCARYHZJX-FRQCXROJSA-N 1 3 350.478 2.808 20 0 FFADHO C[C@H](NC(=O)N(C)CC1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182846982 509456587 /nfs/dbraw/zinc/45/65/87/509456587.db2.gz AIPCMWYNIDDONB-WMZOPIPTSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](NC(=O)N(C)CC1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182846982 509456590 /nfs/dbraw/zinc/45/65/90/509456590.db2.gz AIPCMWYNIDDONB-WMZOPIPTSA-N 1 3 350.551 2.623 20 0 FFADHO CCOC(=O)CCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000264343465 509469020 /nfs/dbraw/zinc/46/90/20/509469020.db2.gz DVHPCFSXWAAPEI-HXUWFJFHSA-N 1 3 362.514 2.707 20 0 FFADHO CCOC(=O)CCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000264343465 509469027 /nfs/dbraw/zinc/46/90/27/509469027.db2.gz DVHPCFSXWAAPEI-HXUWFJFHSA-N 1 3 362.514 2.707 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC4(C3)CCCCC4)CC2)CC1 ZINC000176381288 509477467 /nfs/dbraw/zinc/47/74/67/509477467.db2.gz BFKJRJRTLXVIKN-UHFFFAOYSA-N 1 3 362.562 2.911 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000236886104 509524660 /nfs/dbraw/zinc/52/46/60/509524660.db2.gz SMPAWXZAXXRFSO-FQEVSTJZSA-N 1 3 355.482 2.916 20 0 FFADHO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cccc(OCCN(C)C)c1 ZINC000165084219 509555452 /nfs/dbraw/zinc/55/54/52/509555452.db2.gz GRDDABMPZNCDTJ-KRWDZBQOSA-N 1 3 361.530 2.926 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000165311238 509566828 /nfs/dbraw/zinc/56/68/28/509566828.db2.gz GPIZIUZVCJCNBY-JKSUJKDBSA-N 1 3 353.532 2.831 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237186564 509590262 /nfs/dbraw/zinc/59/02/62/509590262.db2.gz QLJSKCIFJQSIRU-LJQANCHMSA-N 1 3 355.482 2.723 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237409190 509641809 /nfs/dbraw/zinc/64/18/09/509641809.db2.gz IWCLUZVEVZRRHM-DYESRHJHSA-N 1 3 351.494 2.898 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCCC[NH+]2CCCCC2)c1 ZINC000170670086 509709968 /nfs/dbraw/zinc/70/99/68/509709968.db2.gz YOISTBZUCUEFLP-INIZCTEOSA-N 1 3 363.502 2.887 20 0 FFADHO [NH3+]Cc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000186447963 509714193 /nfs/dbraw/zinc/71/41/93/509714193.db2.gz LOPBKYLYRDOASA-UHFFFAOYSA-N 1 3 351.494 2.926 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000268012209 509717199 /nfs/dbraw/zinc/71/71/99/509717199.db2.gz PVEQMXNXBLNVEH-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000268012209 509717205 /nfs/dbraw/zinc/71/72/05/509717205.db2.gz PVEQMXNXBLNVEH-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000193004271 509733606 /nfs/dbraw/zinc/73/36/06/509733606.db2.gz GPPGCNGASHGNMC-QFIPXVFZSA-N 1 3 373.541 2.915 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000249690974 509735841 /nfs/dbraw/zinc/73/58/41/509735841.db2.gz RTZFGRWTHSOXRV-IAGOWNOFSA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC000249690974 509735850 /nfs/dbraw/zinc/73/58/50/509735850.db2.gz RTZFGRWTHSOXRV-IAGOWNOFSA-N 1 3 364.534 2.782 20 0 FFADHO CC[C@@H](CN[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1)[NH+]1CCCC1 ZINC000183410525 509771904 /nfs/dbraw/zinc/77/19/04/509771904.db2.gz SRHXOOUKEMJZHO-YJBOKZPZSA-N 1 3 361.486 2.654 20 0 FFADHO C[C@@H](CC[NH+]1CCN(C)CC1)N[C@@H](C)c1ncc(Br)s1 ZINC000186564587 509773637 /nfs/dbraw/zinc/77/36/37/509773637.db2.gz WRBXVFZNDBGVEK-RYUDHWBXSA-N 1 3 361.353 2.582 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000173782496 509774111 /nfs/dbraw/zinc/77/41/11/509774111.db2.gz BCHAUDZSAGFQIB-HXUWFJFHSA-N 1 3 356.514 2.684 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237968234 509787715 /nfs/dbraw/zinc/78/77/15/509787715.db2.gz ROACDCVHJIOZIU-SFHVURJKSA-N 1 3 359.539 2.606 20 0 FFADHO C[NH+](C)CCCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000264944545 509789640 /nfs/dbraw/zinc/78/96/40/509789640.db2.gz WTOQVIZUWMWRQS-GOSISDBHSA-N 1 3 371.447 2.899 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000189861237 509794847 /nfs/dbraw/zinc/79/48/47/509794847.db2.gz DADDJWCKUUFKID-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000252733908 509857813 /nfs/dbraw/zinc/85/78/13/509857813.db2.gz SZUOUKNJFMTSRU-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000252733908 509857822 /nfs/dbraw/zinc/85/78/22/509857822.db2.gz SZUOUKNJFMTSRU-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000173949555 509870718 /nfs/dbraw/zinc/87/07/18/509870718.db2.gz SGXWBZJNSMTHHG-UHFFFAOYSA-N 1 3 372.517 2.560 20 0 FFADHO CCOC(=O)c1ccc(N2CCC[N@H+](CC[C@@H]3CCCCN3C)CC2)nc1 ZINC000268408921 509911492 /nfs/dbraw/zinc/91/14/92/509911492.db2.gz AEOISRZTOBOQPI-IBGZPJMESA-N 1 3 374.529 2.645 20 0 FFADHO CCOC(=O)c1ccc(N2CCC[N@@H+](CC[C@@H]3CCCCN3C)CC2)nc1 ZINC000268408921 509911501 /nfs/dbraw/zinc/91/15/01/509911501.db2.gz AEOISRZTOBOQPI-IBGZPJMESA-N 1 3 374.529 2.645 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000190123650 509950708 /nfs/dbraw/zinc/95/07/08/509950708.db2.gz IVQWTIAOUXSTSW-UHFFFAOYSA-N 1 3 372.557 2.952 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000177247168 509957552 /nfs/dbraw/zinc/95/75/52/509957552.db2.gz ZKPVGAGLVSWXCI-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000177247168 509957561 /nfs/dbraw/zinc/95/75/61/509957561.db2.gz ZKPVGAGLVSWXCI-RTWAWAEBSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CSCCN(C)Cc2ccccc2)CC1 ZINC000193630966 509998090 /nfs/dbraw/zinc/99/80/90/509998090.db2.gz DPMGJFQPHSUFTJ-UHFFFAOYSA-N 1 3 363.571 2.841 20 0 FFADHO C[C@H](CCOc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174267171 510029951 /nfs/dbraw/zinc/02/99/51/510029951.db2.gz PZFVHKLZDRDLBB-GOSISDBHSA-N 1 3 373.541 2.766 20 0 FFADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000261745901 510048072 /nfs/dbraw/zinc/04/80/72/510048072.db2.gz MYXIRIBONTVNHH-BEFAXECRSA-N 1 3 359.420 2.968 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187123342 510072680 /nfs/dbraw/zinc/07/26/80/510072680.db2.gz JWXCNICINVXQSJ-CQSZACIVSA-N 1 3 370.335 2.573 20 0 FFADHO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(OCCN(C)C)cc1 ZINC000268721469 510087168 /nfs/dbraw/zinc/08/71/68/510087168.db2.gz IOFNFYXOEXBPQU-FXAWDEMLSA-N 1 3 350.503 2.863 20 0 FFADHO COc1cc([C@@H](C)NCCCC[NH+](C)C)ccc1S(=O)(=O)C(F)F ZINC000268994457 510181929 /nfs/dbraw/zinc/18/19/29/510181929.db2.gz KFWMKORHLHUGGN-GFCCVEGCSA-N 1 3 364.458 2.684 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245894426 510194060 /nfs/dbraw/zinc/19/40/60/510194060.db2.gz DEZKXYMSDNGJNJ-CEXWTWQISA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265749176 510209798 /nfs/dbraw/zinc/20/97/98/510209798.db2.gz WQOGESZEHKLBJX-GOSISDBHSA-N 1 3 359.514 2.718 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)C1 ZINC000245963334 510229509 /nfs/dbraw/zinc/22/95/09/510229509.db2.gz MYHSNZAEMMIJDH-CEXWTWQISA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)C1 ZINC000245963334 510229514 /nfs/dbraw/zinc/22/95/14/510229514.db2.gz MYHSNZAEMMIJDH-CEXWTWQISA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000245963339 510230626 /nfs/dbraw/zinc/23/06/26/510230626.db2.gz MYHSNZAEMMIJDH-GUDVDZBRSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000245963339 510230629 /nfs/dbraw/zinc/23/06/29/510230629.db2.gz MYHSNZAEMMIJDH-GUDVDZBRSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1C[C@@H](C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CC[NH2+]1 ZINC000262359070 510255600 /nfs/dbraw/zinc/25/56/00/510255600.db2.gz IIVNRZLUPINMMC-WMZOPIPTSA-N 1 3 356.514 2.545 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CN1C1CC1 ZINC000246137752 510315395 /nfs/dbraw/zinc/31/53/95/510315395.db2.gz BLRGQHKNJWPPOF-AKHDSKFASA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CN1C1CC1 ZINC000246137752 510315401 /nfs/dbraw/zinc/31/54/01/510315401.db2.gz BLRGQHKNJWPPOF-AKHDSKFASA-N 1 3 362.562 2.908 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CN1C1CC1 ZINC000246270801 510398967 /nfs/dbraw/zinc/39/89/67/510398967.db2.gz IXNNLFWXIHBKJN-CEXWTWQISA-N 1 3 362.562 2.765 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246284851 510406554 /nfs/dbraw/zinc/40/65/54/510406554.db2.gz MUEGHTPSHDZIBM-NRSPTQNISA-N 1 3 355.526 2.730 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000246308542 510417780 /nfs/dbraw/zinc/41/77/80/510417780.db2.gz JOYIGAUVOMEXLS-MLYOOKFZSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000246308542 510417789 /nfs/dbraw/zinc/41/77/89/510417789.db2.gz JOYIGAUVOMEXLS-MLYOOKFZSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000246362893 510447700 /nfs/dbraw/zinc/44/77/00/510447700.db2.gz QFLSGBGHLIRFLB-HCXYKTFWSA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)C1 ZINC000246362893 510447708 /nfs/dbraw/zinc/44/77/08/510447708.db2.gz QFLSGBGHLIRFLB-HCXYKTFWSA-N 1 3 352.567 2.726 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000246380015 510456821 /nfs/dbraw/zinc/45/68/21/510456821.db2.gz QPZGREIKJJBRBA-IAGOWNOFSA-N 1 3 352.548 2.915 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000246380015 510456826 /nfs/dbraw/zinc/45/68/26/510456826.db2.gz QPZGREIKJJBRBA-IAGOWNOFSA-N 1 3 352.548 2.915 20 0 FFADHO CC1CCN(C(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000184742946 510495762 /nfs/dbraw/zinc/49/57/62/510495762.db2.gz URMJWIONTOPYDF-RTBURBONSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000187973611 510528671 /nfs/dbraw/zinc/52/86/71/510528671.db2.gz JBLMWLSYYHAJTF-SJORKVTESA-N 1 3 350.551 2.813 20 0 FFADHO CC1(C)[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000181707170 510550716 /nfs/dbraw/zinc/55/07/16/510550716.db2.gz TTWDFBUXYQUOED-ACRUOGEOSA-N 1 3 358.526 2.937 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000246571604 510563994 /nfs/dbraw/zinc/56/39/94/510563994.db2.gz ZKNQNKCWUMLZNL-MSOLQXFVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000246571604 510564001 /nfs/dbraw/zinc/56/40/01/510564001.db2.gz ZKNQNKCWUMLZNL-MSOLQXFVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCO[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 ZINC000181735835 510565468 /nfs/dbraw/zinc/56/54/68/510565468.db2.gz XGQUTASIAQBSHE-QWFCFKBJSA-N 1 3 354.535 2.741 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)CC[C@H]21 ZINC000246601945 510577277 /nfs/dbraw/zinc/57/72/77/510577277.db2.gz DCHFVUDVHCLYIE-NHCUHLMSSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)CC[C@H]21 ZINC000246601945 510577282 /nfs/dbraw/zinc/57/72/82/510577282.db2.gz DCHFVUDVHCLYIE-NHCUHLMSSA-N 1 3 370.541 2.561 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246626854 510590070 /nfs/dbraw/zinc/59/00/70/510590070.db2.gz SNMKAIXNRJPWDF-NRSPTQNISA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246626854 510590078 /nfs/dbraw/zinc/59/00/78/510590078.db2.gz SNMKAIXNRJPWDF-NRSPTQNISA-N 1 3 372.557 2.927 20 0 FFADHO C[N@H+](CCN1CCN(C[C@@H](O)C2CCCCC2)CC1)Cc1ccccc1 ZINC000191333242 510608838 /nfs/dbraw/zinc/60/88/38/510608838.db2.gz LUQYFVIIFWRXCF-JOCHJYFZSA-N 1 3 359.558 2.677 20 0 FFADHO C[N@@H+](CCN1CCN(C[C@@H](O)C2CCCCC2)CC1)Cc1ccccc1 ZINC000191333242 510608841 /nfs/dbraw/zinc/60/88/41/510608841.db2.gz LUQYFVIIFWRXCF-JOCHJYFZSA-N 1 3 359.558 2.677 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000191494676 510687107 /nfs/dbraw/zinc/68/71/07/510687107.db2.gz WCPIRVLZDSAIDT-FGZHOGPDSA-N 1 3 364.622 2.989 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000191494676 510687113 /nfs/dbraw/zinc/68/71/13/510687113.db2.gz WCPIRVLZDSAIDT-FGZHOGPDSA-N 1 3 364.622 2.989 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175628269 510700279 /nfs/dbraw/zinc/70/02/79/510700279.db2.gz DKRNVTGBYSHTHW-GIVPXCGWSA-N 1 3 368.525 2.695 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000175628269 510700283 /nfs/dbraw/zinc/70/02/83/510700283.db2.gz DKRNVTGBYSHTHW-GIVPXCGWSA-N 1 3 368.525 2.695 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246971526 510774991 /nfs/dbraw/zinc/77/49/91/510774991.db2.gz LCBATSZYGMJVJG-RTBURBONSA-N 1 3 367.578 2.891 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000175775087 510783631 /nfs/dbraw/zinc/78/36/31/510783631.db2.gz TWDQBLZVOLGHCS-MOPGFXCFSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000178834165 510796807 /nfs/dbraw/zinc/79/68/07/510796807.db2.gz VDRRGLPBJTURJF-ROUUACIJSA-N 1 3 357.542 2.915 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCC(C)CC1 ZINC000172568929 510797982 /nfs/dbraw/zinc/79/79/82/510797982.db2.gz NKFWARVVVKVBEW-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCC(C)CC1 ZINC000172568929 510797988 /nfs/dbraw/zinc/79/79/88/510797988.db2.gz NKFWARVVVKVBEW-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1F ZINC000172654020 510837214 /nfs/dbraw/zinc/83/72/14/510837214.db2.gz DBTKOTMCMGPWAZ-OAHLLOKOSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(F)ccc1F ZINC000172654020 510837219 /nfs/dbraw/zinc/83/72/19/510837219.db2.gz DBTKOTMCMGPWAZ-OAHLLOKOSA-N 1 3 354.445 2.845 20 0 FFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000247122352 510839364 /nfs/dbraw/zinc/83/93/64/510839364.db2.gz USMOZHXBUCAHNL-GUDVDZBRSA-N 1 3 361.530 2.907 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000247198087 510850622 /nfs/dbraw/zinc/85/06/22/510850622.db2.gz LQARBACOEPRLQV-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000247198087 510850625 /nfs/dbraw/zinc/85/06/25/510850625.db2.gz LQARBACOEPRLQV-UYAOXDASSA-N 1 3 358.530 2.807 20 0 FFADHO CCN1CC[C@@H]([NH2+]CCCN2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247242544 510853761 /nfs/dbraw/zinc/85/37/61/510853761.db2.gz ZBJFREPEPBYPBS-RBBKRZOGSA-N 1 3 358.574 2.827 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000297409486 510934838 /nfs/dbraw/zinc/93/48/38/510934838.db2.gz YFMAJSMTYPSCMS-NRFANRHFSA-N 1 3 358.530 2.766 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000297409486 510934846 /nfs/dbraw/zinc/93/48/46/510934846.db2.gz YFMAJSMTYPSCMS-NRFANRHFSA-N 1 3 358.530 2.766 20 0 FFADHO O=C(c1ccco1)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000294119028 510962201 /nfs/dbraw/zinc/96/22/01/510962201.db2.gz DKPNLWOHFKLDGB-UHFFFAOYSA-N 1 3 354.454 2.538 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)C2)C1 ZINC000297892082 511101063 /nfs/dbraw/zinc/10/10/63/511101063.db2.gz RTWMIVBQGWPZHC-JOCHJYFZSA-N 1 3 370.541 2.910 20 0 FFADHO C[N@H+](C[C@@H](O)COCc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000364988488 511193731 /nfs/dbraw/zinc/19/37/31/511193731.db2.gz MNLNZBRFUJSBKY-JOCHJYFZSA-N 1 3 369.509 2.808 20 0 FFADHO C[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000364988488 511193736 /nfs/dbraw/zinc/19/37/36/511193736.db2.gz MNLNZBRFUJSBKY-JOCHJYFZSA-N 1 3 369.509 2.808 20 0 FFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000271474379 511216306 /nfs/dbraw/zinc/21/63/06/511216306.db2.gz HVUZDKBCMKNMGS-VAMGGRTRSA-N 1 3 360.498 2.876 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000298581558 511336976 /nfs/dbraw/zinc/33/69/76/511336976.db2.gz MJXDUXIHPTYZPI-INIZCTEOSA-N 1 3 350.532 2.669 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000333782504 511354296 /nfs/dbraw/zinc/35/42/96/511354296.db2.gz DXPGVDNOUBZKGS-TUNNFDKTSA-N 1 3 370.541 2.812 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2cccc(Br)c2F)CC1 ZINC000295370048 511381211 /nfs/dbraw/zinc/38/12/11/511381211.db2.gz JRHRFKCVNCDMEB-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298856608 511432819 /nfs/dbraw/zinc/43/28/19/511432819.db2.gz IWILGWWQLXUDQV-CVEARBPZSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298856608 511432826 /nfs/dbraw/zinc/43/28/26/511432826.db2.gz IWILGWWQLXUDQV-CVEARBPZSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCCN(C2CCC2)C1 ZINC000298856608 511432828 /nfs/dbraw/zinc/43/28/28/511432828.db2.gz IWILGWWQLXUDQV-CVEARBPZSA-N 1 3 373.497 2.987 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000298977514 511472589 /nfs/dbraw/zinc/47/25/89/511472589.db2.gz PCMYFUICAYVIRM-IBGZPJMESA-N 1 3 358.530 2.823 20 0 FFADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000284166824 511628503 /nfs/dbraw/zinc/62/85/03/511628503.db2.gz QDVGOCSPWXWULT-RTBURBONSA-N 1 3 352.544 2.974 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000363614408 511658278 /nfs/dbraw/zinc/65/82/78/511658278.db2.gz TZFFTBFEXPAODP-QRVBRYPASA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000363614408 511658280 /nfs/dbraw/zinc/65/82/80/511658280.db2.gz TZFFTBFEXPAODP-QRVBRYPASA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000292636729 511667784 /nfs/dbraw/zinc/66/77/84/511667784.db2.gz PLMFMQXUIJGPOH-FQEVSTJZSA-N 1 3 361.530 2.925 20 0 FFADHO COc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000292940294 511780010 /nfs/dbraw/zinc/78/00/10/511780010.db2.gz HSDYVEWYEBWFAS-UHFFFAOYSA-N 1 3 365.905 2.637 20 0 FFADHO Brc1cc2c(c(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)c1)OCC2 ZINC000314677418 511796169 /nfs/dbraw/zinc/79/61/69/511796169.db2.gz CFVYOOQAKIRCSP-OKILXGFUSA-N 1 3 351.288 2.815 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281722820 511944770 /nfs/dbraw/zinc/94/47/70/511944770.db2.gz IPNDFHZRBKDTAW-UHFFFAOYSA-N 1 3 374.573 2.674 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281722820 511944779 /nfs/dbraw/zinc/94/47/79/511944779.db2.gz IPNDFHZRBKDTAW-UHFFFAOYSA-N 1 3 374.573 2.674 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[C@@H](c1ccccc1)N(C)C ZINC000297172834 512047427 /nfs/dbraw/zinc/04/74/27/512047427.db2.gz AFMVCADMEBYGKM-HFSMHLIXSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@@H](c1ccccc1)N(C)C ZINC000297172834 512047428 /nfs/dbraw/zinc/04/74/28/512047428.db2.gz AFMVCADMEBYGKM-HFSMHLIXSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[C@@H](c1ccccc1)N(C)C ZINC000297172823 512047934 /nfs/dbraw/zinc/04/79/34/512047934.db2.gz AFMVCADMEBYGKM-CUWPLCDZSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[C@@H](c1ccccc1)N(C)C ZINC000297172823 512047941 /nfs/dbraw/zinc/04/79/41/512047941.db2.gz AFMVCADMEBYGKM-CUWPLCDZSA-N 1 3 358.530 2.805 20 0 FFADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000275206689 512074724 /nfs/dbraw/zinc/07/47/24/512074724.db2.gz JAIHZHJMQOJFRP-DUXKGJEZSA-N 1 3 373.541 2.703 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000377808105 512459587 /nfs/dbraw/zinc/45/95/87/512459587.db2.gz WAYYRQHCDYKWED-PWRODBHTSA-N 1 3 373.541 2.830 20 0 FFADHO CSc1ccc(OC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000411177969 512506325 /nfs/dbraw/zinc/50/63/25/512506325.db2.gz WQGSRFAQNAGBDE-GOSISDBHSA-N 1 3 364.555 2.956 20 0 FFADHO CN1CCCN(c2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)CC1 ZINC000367538260 512548638 /nfs/dbraw/zinc/54/86/38/512548638.db2.gz MZRSPOGQXISFEF-JOIKAWEESA-N 1 3 370.541 2.921 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000369913370 512678995 /nfs/dbraw/zinc/67/89/95/512678995.db2.gz QAKCSWSASWVETI-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000369913370 512678996 /nfs/dbraw/zinc/67/89/96/512678996.db2.gz QAKCSWSASWVETI-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000372066841 512701082 /nfs/dbraw/zinc/70/10/82/512701082.db2.gz QMNJOMYPMASKQD-FUPPJEDESA-N 1 3 372.601 2.760 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000382721674 512879635 /nfs/dbraw/zinc/87/96/35/512879635.db2.gz NOEKZJXWVYHXNH-NQIIRXRSSA-N 1 3 351.494 2.852 20 0 FFADHO Cc1noc(C2CCC([NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000368361990 512914361 /nfs/dbraw/zinc/91/43/61/512914361.db2.gz FDNJHMQMBHNORE-RCDYEMGKSA-N 1 3 350.507 2.883 20 0 FFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000376694407 512944450 /nfs/dbraw/zinc/94/44/50/512944450.db2.gz HCXVTTAZDSJJTG-OAQYLSRUSA-N 1 3 373.541 2.706 20 0 FFADHO COc1cccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000397638909 512948590 /nfs/dbraw/zinc/94/85/90/512948590.db2.gz REDCZLDLVJXBOD-UHFFFAOYSA-N 1 3 370.493 2.821 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)COc1ccccc1 ZINC000398111278 512954548 /nfs/dbraw/zinc/95/45/48/512954548.db2.gz DDYAJXGMEPRDRK-KAGYGMCKSA-N 1 3 354.494 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)COc1ccccc1 ZINC000398111278 512954551 /nfs/dbraw/zinc/95/45/51/512954551.db2.gz DDYAJXGMEPRDRK-KAGYGMCKSA-N 1 3 354.494 2.927 20 0 FFADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412132189 512972675 /nfs/dbraw/zinc/97/26/75/512972675.db2.gz PRNHROUNXCBWIP-NRFANRHFSA-N 1 3 373.541 2.855 20 0 FFADHO C[N@H+](CCCO)C1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412222182 513002852 /nfs/dbraw/zinc/00/28/52/513002852.db2.gz YDQLGIUJNVUYHR-UHFFFAOYSA-N 1 3 373.541 2.591 20 0 FFADHO C[N@@H+](CCCO)C1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412222182 513002855 /nfs/dbraw/zinc/00/28/55/513002855.db2.gz YDQLGIUJNVUYHR-UHFFFAOYSA-N 1 3 373.541 2.591 20 0 FFADHO COCc1cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)ccc1OC ZINC000370635052 513026067 /nfs/dbraw/zinc/02/60/67/513026067.db2.gz NUETYFBWVKADEK-VQIMIIECSA-N 1 3 361.530 2.661 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412339591 513044706 /nfs/dbraw/zinc/04/47/06/513044706.db2.gz PWWIHSAJSDSUSY-GOSISDBHSA-N 1 3 353.576 2.538 20 0 FFADHO C[C@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@H]1N1CCN(C)CC1 ZINC000370706977 513063332 /nfs/dbraw/zinc/06/33/32/513063332.db2.gz NIFFHEMPCIHCFN-FXAWDEMLSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@H]1N1CCN(C)CC1 ZINC000370706977 513063334 /nfs/dbraw/zinc/06/33/34/513063334.db2.gz NIFFHEMPCIHCFN-FXAWDEMLSA-N 1 3 357.542 2.858 20 0 FFADHO C(CN1CC[C@H](C2CCOCC2)C1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372861653 513078553 /nfs/dbraw/zinc/07/85/53/513078553.db2.gz XHYJXOHDLDSYDM-SFTDATJTSA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CC[C@H](C2CCOCC2)C1)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372861653 513078555 /nfs/dbraw/zinc/07/85/55/513078555.db2.gz XHYJXOHDLDSYDM-SFTDATJTSA-N 1 3 350.547 2.874 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370787542 513099667 /nfs/dbraw/zinc/09/96/67/513099667.db2.gz NWMZDJLLTDWYGG-KRWDZBQOSA-N 1 3 359.489 2.781 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415228944 513160543 /nfs/dbraw/zinc/16/05/43/513160543.db2.gz NLPGATNWICGIPW-QGZVFWFLSA-N 1 3 374.529 2.759 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417689018 513162789 /nfs/dbraw/zinc/16/27/89/513162789.db2.gz SLMMNGXPUMJRNP-LSTHTHJFSA-N 1 3 372.557 2.757 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000439689415 513163120 /nfs/dbraw/zinc/16/31/20/513163120.db2.gz BWQJAZHNJKVQLK-LJQANCHMSA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000439689415 513163125 /nfs/dbraw/zinc/16/31/25/513163125.db2.gz BWQJAZHNJKVQLK-LJQANCHMSA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC(C[NH3+])CC1 ZINC000417690675 513164132 /nfs/dbraw/zinc/16/41/32/513164132.db2.gz VYJRZNUUZVWBDD-FQEVSTJZSA-N 1 3 372.557 2.840 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417703720 513172942 /nfs/dbraw/zinc/17/29/42/513172942.db2.gz PTWHXUARBZPXMC-QZTJIDSGSA-N 1 3 350.551 2.671 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000433924335 513187747 /nfs/dbraw/zinc/18/77/47/513187747.db2.gz QFJQDXKXRFNWRI-LJQANCHMSA-N 1 3 350.551 2.959 20 0 FFADHO C[NH2+]CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417751653 513195773 /nfs/dbraw/zinc/19/57/73/513195773.db2.gz ZFRORTHRIPEJMP-ZBFHGGJFSA-N 1 3 372.435 2.607 20 0 FFADHO C[C@H](CCNC(=O)NC[C@H](N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000417815478 513218185 /nfs/dbraw/zinc/21/81/85/513218185.db2.gz ORAQMAFOKJNECM-XLIONFOSSA-N 1 3 354.498 2.896 20 0 FFADHO C[C@H](CCNC(=O)NC[C@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417815478 513218191 /nfs/dbraw/zinc/21/81/91/513218191.db2.gz ORAQMAFOKJNECM-XLIONFOSSA-N 1 3 354.498 2.896 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000417816033 513218683 /nfs/dbraw/zinc/21/86/83/513218683.db2.gz BYLWTHJNTPFYEE-BWPNAZKDSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417827226 513223683 /nfs/dbraw/zinc/22/36/83/513223683.db2.gz PIDNPWVIFRGILY-HOJAQTOUSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000417827272 513224950 /nfs/dbraw/zinc/22/49/50/513224950.db2.gz DDCPRKTZIMTKHS-HNBVOPMISA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417831970 513226290 /nfs/dbraw/zinc/22/62/90/513226290.db2.gz SQNFYPQVHHHETE-SYYKKAFVSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000417834107 513227367 /nfs/dbraw/zinc/22/73/67/513227367.db2.gz FKQFNWNLRHQVET-UHFFFAOYSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417833222 513227861 /nfs/dbraw/zinc/22/78/61/513227861.db2.gz UISMFNLWBXQIQC-GTAWCEEGSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000417843016 513233316 /nfs/dbraw/zinc/23/33/16/513233316.db2.gz QBJZIMDNVRHZEB-NSISKUIASA-N 1 3 358.530 2.856 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3c[nH]nc3-c3ccc(C)o3)CC2)CC1 ZINC000421376855 513241722 /nfs/dbraw/zinc/24/17/22/513241722.db2.gz QWHRAIPFOCPJMT-UHFFFAOYSA-N 1 3 371.529 2.970 20 0 FFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003240 513248705 /nfs/dbraw/zinc/24/87/05/513248705.db2.gz PFGMTYIPPLXKHH-XPNTWCBSSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003240 513248707 /nfs/dbraw/zinc/24/87/07/513248707.db2.gz PFGMTYIPPLXKHH-XPNTWCBSSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@@H]1C[C@@H]1N1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003240 513248709 /nfs/dbraw/zinc/24/87/09/513248709.db2.gz PFGMTYIPPLXKHH-XPNTWCBSSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@@H]1C[C@@H]1N1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003240 513248711 /nfs/dbraw/zinc/24/87/11/513248711.db2.gz PFGMTYIPPLXKHH-XPNTWCBSSA-N 1 3 370.585 2.861 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCNC(C)(C)C1 ZINC000417886984 513256063 /nfs/dbraw/zinc/25/60/63/513256063.db2.gz IAUKOQZRPPTFSA-IRXDYDNUSA-N 1 3 358.530 2.536 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC000446570141 513283607 /nfs/dbraw/zinc/28/36/07/513283607.db2.gz WWUUOILMGSHYTB-LJQANCHMSA-N 1 3 360.546 2.977 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCC1 ZINC000429125581 513285467 /nfs/dbraw/zinc/28/54/67/513285467.db2.gz ZOQZGNFTPQUBFI-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2CCN[C@@H](C)[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000417933541 513285886 /nfs/dbraw/zinc/28/58/86/513285886.db2.gz XPYLDWFKJPZEHV-PNYFIKQUSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2CCN[C@@H](C)[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000417933541 513285892 /nfs/dbraw/zinc/28/58/92/513285892.db2.gz XPYLDWFKJPZEHV-PNYFIKQUSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418036441 513346707 /nfs/dbraw/zinc/34/67/07/513346707.db2.gz QMELPIMVMQIYIM-XLIONFOSSA-N 1 3 360.546 2.912 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418151968 513392933 /nfs/dbraw/zinc/39/29/33/513392933.db2.gz GIVVRROBFJNWHD-CVEARBPZSA-N 1 3 368.472 2.569 20 0 FFADHO CC(C)([NH3+])CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418150673 513393624 /nfs/dbraw/zinc/39/36/24/513393624.db2.gz DFEMWWQJXUHKIG-VQTJNVASSA-N 1 3 366.509 2.691 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000418162288 513399826 /nfs/dbraw/zinc/39/98/26/513399826.db2.gz CRSVAEOCXKEHEO-IRXDYDNUSA-N 1 3 352.910 2.759 20 0 FFADHO CCCN(C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC[NH2+]CC1 ZINC000418193541 513414114 /nfs/dbraw/zinc/41/41/14/513414114.db2.gz NTPKGGCYGJZBAJ-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)N(C)C)cc1 ZINC000418206681 513421172 /nfs/dbraw/zinc/42/11/72/513421172.db2.gz OUEKRSNNQHHLOS-HXUWFJFHSA-N 1 3 374.529 2.686 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)N(CC)CC)cc1 ZINC000418223146 513429109 /nfs/dbraw/zinc/42/91/09/513429109.db2.gz YHIOKEBENCNENV-NJYVYQBISA-N 1 3 372.557 2.883 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000440964272 513448165 /nfs/dbraw/zinc/44/81/65/513448165.db2.gz XOLMSIMQABMDEM-YVSFHVDLSA-N 1 3 350.551 2.667 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000440964272 513448172 /nfs/dbraw/zinc/44/81/72/513448172.db2.gz XOLMSIMQABMDEM-YVSFHVDLSA-N 1 3 350.551 2.667 20 0 FFADHO CC[NH2+]CCNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418319774 513460381 /nfs/dbraw/zinc/46/03/81/513460381.db2.gz RRXZDYZBMCIIOR-HXUWFJFHSA-N 1 3 372.557 2.928 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@H](C)C1 ZINC000415883244 513461846 /nfs/dbraw/zinc/46/18/46/513461846.db2.gz NBRWFEOSVPZQCE-UZLBHIALSA-N 1 3 374.529 2.591 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)[C@H](C)C1 ZINC000415883244 513461852 /nfs/dbraw/zinc/46/18/52/513461852.db2.gz NBRWFEOSVPZQCE-UZLBHIALSA-N 1 3 374.529 2.591 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000441023258 513463092 /nfs/dbraw/zinc/46/30/92/513463092.db2.gz SMIUOSRIZQKBGW-ROUUACIJSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000441023258 513463096 /nfs/dbraw/zinc/46/30/96/513463096.db2.gz SMIUOSRIZQKBGW-ROUUACIJSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000418353224 513478851 /nfs/dbraw/zinc/47/88/51/513478851.db2.gz VQTBOHRMGAVYSH-QUCCMNQESA-N 1 3 360.546 2.581 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418367748 513486307 /nfs/dbraw/zinc/48/63/07/513486307.db2.gz LMWMLQRPKGWYHN-QUCCMNQESA-N 1 3 358.530 2.540 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415965446 513504519 /nfs/dbraw/zinc/50/45/19/513504519.db2.gz ZVRPDFFJCPIJKZ-UHFFFAOYSA-N 1 3 360.433 2.660 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000415966103 513504809 /nfs/dbraw/zinc/50/48/09/513504809.db2.gz VPKSWEDOWBGMTH-HXUWFJFHSA-N 1 3 368.481 2.983 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000415973920 513510288 /nfs/dbraw/zinc/51/02/88/513510288.db2.gz PRLQQRMJDCFYGG-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000447586547 513515402 /nfs/dbraw/zinc/51/54/02/513515402.db2.gz NXIDNEKLLWMTFW-RTJUMIHMSA-N 1 3 353.510 2.781 20 0 FFADHO N[C@H](CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000418454677 513518802 /nfs/dbraw/zinc/51/88/02/513518802.db2.gz QTBPQPZTVSSDFJ-DFQSSKMNSA-N 1 3 370.472 2.518 20 0 FFADHO COCCO[C@@H]1COCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603023 513520241 /nfs/dbraw/zinc/52/02/41/513520241.db2.gz VASBQSLWMUVNSJ-PVIWCNJMSA-N 1 3 374.525 2.592 20 0 FFADHO COCCO[C@@H]1COCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603023 513520247 /nfs/dbraw/zinc/52/02/47/513520247.db2.gz VASBQSLWMUVNSJ-PVIWCNJMSA-N 1 3 374.525 2.592 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418465447 513522280 /nfs/dbraw/zinc/52/22/80/513522280.db2.gz MYGYILZCNZLFKJ-GOSISDBHSA-N 1 3 361.534 2.847 20 0 FFADHO O=C(CCCc1ccccc1)NCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000425355703 513525827 /nfs/dbraw/zinc/52/58/27/513525827.db2.gz OZHYWEZLZFXPLH-UHFFFAOYSA-N 1 3 366.509 2.779 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N2CCCC2)cc1 ZINC000415999321 513530151 /nfs/dbraw/zinc/53/01/51/513530151.db2.gz VVMGWTGAGKAGLA-HZPDHXFCSA-N 1 3 372.435 2.711 20 0 FFADHO CN1C(=O)NCC12CCN(CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000425368316 513531542 /nfs/dbraw/zinc/53/15/42/513531542.db2.gz DSTYNLBTQKFFFV-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO CN1C(=O)NCC12CCN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000425368316 513531548 /nfs/dbraw/zinc/53/15/48/513531548.db2.gz DSTYNLBTQKFFFV-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CCC[NH2+]C1 ZINC000418538970 513548598 /nfs/dbraw/zinc/54/85/98/513548598.db2.gz LLQWILLFDNAWFX-FGZHOGPDSA-N 1 3 370.541 2.684 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1(C)C ZINC000441356534 513548941 /nfs/dbraw/zinc/54/89/41/513548941.db2.gz LDZISMWYGPLXDX-UHFFFAOYSA-N 1 3 359.436 2.743 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418554484 513555954 /nfs/dbraw/zinc/55/59/54/513555954.db2.gz VMTKCNKQRRCTPQ-FPOVZHCZSA-N 1 3 358.530 2.682 20 0 FFADHO COC(=O)[C@@H](CCN1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422822 513556553 /nfs/dbraw/zinc/55/65/53/513556553.db2.gz SRSVHRDNYIWACG-NRFANRHFSA-N 1 3 374.525 2.910 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCC1 ZINC000441414463 513563462 /nfs/dbraw/zinc/56/34/62/513563462.db2.gz SYYZQZDHWRVMCO-IEZWGBDMSA-N 1 3 350.551 2.811 20 0 FFADHO O=C(COc1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1)NCC1CC1 ZINC000435377469 513569348 /nfs/dbraw/zinc/56/93/48/513569348.db2.gz BVOAUDOCVCYICP-HXUWFJFHSA-N 1 3 371.525 2.556 20 0 FFADHO CCSc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000435375078 513569404 /nfs/dbraw/zinc/56/94/04/513569404.db2.gz ZIENSQVOSQYMCN-MJGOQNOKSA-N 1 3 361.555 2.879 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1C ZINC000435380269 513570837 /nfs/dbraw/zinc/57/08/37/513570837.db2.gz MYDIUAUPWBEIRV-LJQANCHMSA-N 1 3 360.498 2.819 20 0 FFADHO C[C@@H]([NH3+])C1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000435396686 513573551 /nfs/dbraw/zinc/57/35/51/513573551.db2.gz ZSZCVLFRDGWHOH-OAHLLOKOSA-N 1 3 370.497 2.808 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)CC1 ZINC000418616089 513577772 /nfs/dbraw/zinc/57/77/72/513577772.db2.gz LBTCGMQNTPTQDV-RGVPCPSESA-N 1 3 350.551 2.526 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418636620 513585904 /nfs/dbraw/zinc/58/59/04/513585904.db2.gz IQYSTLRSZHJYRE-INIZCTEOSA-N 1 3 352.548 2.600 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418652680 513594410 /nfs/dbraw/zinc/59/44/10/513594410.db2.gz NFDUPCRLRGTTIW-FQEVSTJZSA-N 1 3 358.530 2.766 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000430238907 513594609 /nfs/dbraw/zinc/59/46/09/513594609.db2.gz LLSDZRSUYULHMX-IFMALSPDSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000430238907 513594616 /nfs/dbraw/zinc/59/46/16/513594616.db2.gz LLSDZRSUYULHMX-IFMALSPDSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418666818 513603079 /nfs/dbraw/zinc/60/30/79/513603079.db2.gz DMPDWWWSVRQBJO-RXVVDRJESA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000418718674 513622876 /nfs/dbraw/zinc/62/28/76/513622876.db2.gz DOVDDEBNDOFAGL-HOJAQTOUSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418732729 513628717 /nfs/dbraw/zinc/62/87/17/513628717.db2.gz UTFNOUOTBHMYLL-HOJAQTOUSA-N 1 3 358.530 2.667 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418752414 513639126 /nfs/dbraw/zinc/63/91/26/513639126.db2.gz GMQOJVMMUSHUAW-NVXWUHKLSA-N 1 3 372.504 2.670 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418752414 513639135 /nfs/dbraw/zinc/63/91/35/513639135.db2.gz GMQOJVMMUSHUAW-NVXWUHKLSA-N 1 3 372.504 2.670 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418752412 513639873 /nfs/dbraw/zinc/63/98/73/513639873.db2.gz GMQOJVMMUSHUAW-DOTOQJQBSA-N 1 3 372.504 2.670 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418752412 513639879 /nfs/dbraw/zinc/63/98/79/513639879.db2.gz GMQOJVMMUSHUAW-DOTOQJQBSA-N 1 3 372.504 2.670 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000448015060 513658039 /nfs/dbraw/zinc/65/80/39/513658039.db2.gz FCENPHLCQWRTJV-SFHVURJKSA-N 1 3 362.518 2.869 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418792968 513659441 /nfs/dbraw/zinc/65/94/41/513659441.db2.gz ODTRSKNFLMOGAB-AYWYSENESA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000430677609 513719312 /nfs/dbraw/zinc/71/93/12/513719312.db2.gz GPYDEWLRLAQLCT-IIBYNOLFSA-N 1 3 367.493 2.918 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000430716761 513732072 /nfs/dbraw/zinc/73/20/72/513732072.db2.gz DVSNUIXWDICFQC-SFHVURJKSA-N 1 3 358.486 2.582 20 0 FFADHO Cc1cc(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000430814294 513756526 /nfs/dbraw/zinc/75/65/26/513756526.db2.gz IDYNTCLYWDJUIE-KXBFYZLASA-N 1 3 355.486 2.733 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)[C@H](C)C1 ZINC000442795780 513783178 /nfs/dbraw/zinc/78/31/78/513783178.db2.gz CKOSAUUAVCITEF-YLJYHZDGSA-N 1 3 359.514 2.650 20 0 FFADHO C[C@H]1CN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430937547 513787881 /nfs/dbraw/zinc/78/78/81/513787881.db2.gz CPSMGZSWQQKTGT-PXNSSMCTSA-N 1 3 351.494 2.951 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000443056128 513856066 /nfs/dbraw/zinc/85/60/66/513856066.db2.gz CBFHYAFTPSDVQE-WMLDXEAASA-N 1 3 367.440 2.844 20 0 FFADHO COc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1NC(C)=O ZINC000436470102 513861551 /nfs/dbraw/zinc/86/15/51/513861551.db2.gz JAFDEUGZZVNPHH-UHFFFAOYSA-N 1 3 354.454 2.807 20 0 FFADHO CN1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422712882 513910573 /nfs/dbraw/zinc/91/05/73/513910573.db2.gz OUQGMTVUKGDFAC-DNVJHFABSA-N 1 3 370.585 2.834 20 0 FFADHO Cc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422712009 513911265 /nfs/dbraw/zinc/91/12/65/513911265.db2.gz NPWANLNFPREZSJ-VJBMBRPKSA-N 1 3 367.537 2.916 20 0 FFADHO Fc1ccc(CN2CCC(N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422721490 513911785 /nfs/dbraw/zinc/91/17/85/513911785.db2.gz OAGBGFLTKFOPOK-NJDAHSKKSA-N 1 3 361.505 2.537 20 0 FFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422748490 513920385 /nfs/dbraw/zinc/92/03/85/513920385.db2.gz USWDFRJDTSJREV-MHTWAQMVSA-N 1 3 373.541 2.579 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])N2CCCCC2)cc1 ZINC000422758610 513923729 /nfs/dbraw/zinc/92/37/29/513923729.db2.gz KMLINUAZLZHBOL-ZXNZYJFHSA-N 1 3 361.530 2.564 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422799641 513936413 /nfs/dbraw/zinc/93/64/13/513936413.db2.gz XUHCZOMVIOJGBC-CYBMUJFWSA-N 1 3 356.413 2.699 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422863585 513956769 /nfs/dbraw/zinc/95/67/69/513956769.db2.gz SDOUIYWCPHTLHL-CZUORRHYSA-N 1 3 368.319 2.547 20 0 FFADHO COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422883087 513962578 /nfs/dbraw/zinc/96/25/78/513962578.db2.gz UMCHMUOSXPGNBW-ARFHVFGLSA-N 1 3 370.440 2.586 20 0 FFADHO COc1cc(OC)c(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(OC)c1 ZINC000422890108 513966159 /nfs/dbraw/zinc/96/61/59/513966159.db2.gz REMRLWVBOZRBGJ-KXBFYZLASA-N 1 3 358.482 2.803 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416799834 513971603 /nfs/dbraw/zinc/97/16/03/513971603.db2.gz DUMJVXFLSGAKSM-HSALFYBXSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422925305 513978306 /nfs/dbraw/zinc/97/83/06/513978306.db2.gz AVVCYIFLVLUBRA-GPJHCHHRSA-N 1 3 371.569 2.816 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)N(C)C)cc1 ZINC000416830827 513989147 /nfs/dbraw/zinc/98/91/47/513989147.db2.gz AOUTWVQESOVWGT-NMLBUPMWSA-N 1 3 358.530 2.621 20 0 FFADHO O[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N(Cc2ccccc2)C1 ZINC000422968609 513995059 /nfs/dbraw/zinc/99/50/59/513995059.db2.gz XGYOTLWTHRQMFQ-QMCAAQAGSA-N 1 3 357.542 2.522 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000416842121 513996878 /nfs/dbraw/zinc/99/68/78/513996878.db2.gz MRCWBOAIZRLYPI-HOCLYGCPSA-N 1 3 350.532 2.654 20 0 FFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)[C@@H](C)C2 ZINC000414181706 514000304 /nfs/dbraw/zinc/00/03/04/514000304.db2.gz CHJCRAVEGNNMAE-RXVVDRJESA-N 1 3 357.542 2.615 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000416849245 514001412 /nfs/dbraw/zinc/00/14/12/514001412.db2.gz XPZGPYLQLCUZIN-HZPDHXFCSA-N 1 3 350.532 2.574 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)N2CCCC2)c1 ZINC000416853930 514005264 /nfs/dbraw/zinc/00/52/64/514005264.db2.gz OMYAUHXUNJXKRD-PMACEKPBSA-N 1 3 374.529 2.649 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2c(c1)CCC2 ZINC000414202668 514008643 /nfs/dbraw/zinc/00/86/43/514008643.db2.gz UMLCYJJDRHSZMS-GOSISDBHSA-N 1 3 357.542 2.623 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](COC)c2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000423017813 514009829 /nfs/dbraw/zinc/00/98/29/514009829.db2.gz PPODRGUXTCLDKN-GUYCJALGSA-N 1 3 370.440 2.563 20 0 FFADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414207685 514012688 /nfs/dbraw/zinc/01/26/88/514012688.db2.gz ZUGRPQKMWLMMMN-ICSRJNTNSA-N 1 3 357.542 2.930 20 0 FFADHO CN(CCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000416872995 514015952 /nfs/dbraw/zinc/01/59/52/514015952.db2.gz MUKMZVWUVOZYKC-FQEVSTJZSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000416874604 514017529 /nfs/dbraw/zinc/01/75/29/514017529.db2.gz ALZSIDWYQFBLLK-RTWAWAEBSA-N 1 3 366.509 2.632 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000416880203 514020647 /nfs/dbraw/zinc/02/06/47/514020647.db2.gz GGEAMRKETJIXKT-HXUWFJFHSA-N 1 3 354.498 2.810 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423056910 514020967 /nfs/dbraw/zinc/02/09/67/514020967.db2.gz ZAOLGJLJGYWPIJ-NOLJZWGESA-N 1 3 355.404 2.523 20 0 FFADHO Cc1ccccc1C[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423061739 514024083 /nfs/dbraw/zinc/02/40/83/514024083.db2.gz RNCRBNIUEXQRMB-UZKOGDIHSA-N 1 3 352.478 2.744 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000416892122 514028922 /nfs/dbraw/zinc/02/89/22/514028922.db2.gz ALMBZPQZVSJETQ-UHFFFAOYSA-N 1 3 370.541 2.958 20 0 FFADHO OC[C@H](Cc1ccc(F)cc1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423078043 514031477 /nfs/dbraw/zinc/03/14/77/514031477.db2.gz NNAQRPPEGDCBTG-DSKINZAPSA-N 1 3 356.441 2.575 20 0 FFADHO FC(F)C(F)(F)COCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423079917 514032104 /nfs/dbraw/zinc/03/21/04/514032104.db2.gz YVFQWSNKDUBVFN-BBRMVZONSA-N 1 3 362.367 2.749 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000416897119 514032745 /nfs/dbraw/zinc/03/27/45/514032745.db2.gz XGVZLRKNTWXQFB-UHFFFAOYSA-N 1 3 370.541 2.701 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414324665 514048443 /nfs/dbraw/zinc/04/84/43/514048443.db2.gz JCSYGMWEMNKCSQ-KRWDZBQOSA-N 1 3 373.520 2.683 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423149033 514060554 /nfs/dbraw/zinc/06/05/54/514060554.db2.gz ADZPISQEAJGCCP-GRDNDAEWSA-N 1 3 373.310 2.846 20 0 FFADHO CC(C)[C@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000449076992 514061903 /nfs/dbraw/zinc/06/19/03/514061903.db2.gz QIMSAWJLYHACPC-APWZRJJASA-N 1 3 352.544 2.904 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)NCc1ccc2c(c1)CNC2)[NH+]1CCCC1 ZINC000416962986 514070878 /nfs/dbraw/zinc/07/08/78/514070878.db2.gz UTIODGQTHZLLHQ-HXUWFJFHSA-N 1 3 358.530 2.990 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449107944 514074839 /nfs/dbraw/zinc/07/48/39/514074839.db2.gz PIPMKIBDLSBYQW-IRLDBZIGSA-N 1 3 351.494 2.857 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416971399 514077153 /nfs/dbraw/zinc/07/71/53/514077153.db2.gz GRFPVRFTWYSUTK-FQEVSTJZSA-N 1 3 360.546 2.708 20 0 FFADHO Cc1nc2n(n1)C[C@H](NC1CC[NH+]([C@H](C)Cc3ccccc3)CC1)CC2 ZINC000449114937 514078611 /nfs/dbraw/zinc/07/86/11/514078611.db2.gz FUGFYNUUSOFTSB-OXQOHEQNSA-N 1 3 353.514 2.587 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000416974768 514081290 /nfs/dbraw/zinc/08/12/90/514081290.db2.gz LUHLPZQYBDBRKQ-QGZVFWFLSA-N 1 3 358.530 2.728 20 0 FFADHO COc1cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc2ccccc21 ZINC000449133804 514085223 /nfs/dbraw/zinc/08/52/23/514085223.db2.gz FMRORNNNJDYOAW-GOSISDBHSA-N 1 3 355.482 2.525 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132933 514085666 /nfs/dbraw/zinc/08/56/66/514085666.db2.gz WJVYGQFRCQAKTH-IAGOWNOFSA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132933 514085673 /nfs/dbraw/zinc/08/56/73/514085673.db2.gz WJVYGQFRCQAKTH-IAGOWNOFSA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132933 514085680 /nfs/dbraw/zinc/08/56/80/514085680.db2.gz WJVYGQFRCQAKTH-IAGOWNOFSA-N 1 3 352.544 2.904 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416982316 514089648 /nfs/dbraw/zinc/08/96/48/514089648.db2.gz WCWNBCFCHCZSJC-PXNSSMCTSA-N 1 3 358.530 2.605 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000416982927 514090493 /nfs/dbraw/zinc/09/04/93/514090493.db2.gz WNGBSDIFDYERLV-HXUWFJFHSA-N 1 3 360.546 2.974 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323210 514094524 /nfs/dbraw/zinc/09/45/24/514094524.db2.gz UBHNVWAJOKWFIO-MJGOQNOKSA-N 1 3 354.498 2.875 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323210 514094527 /nfs/dbraw/zinc/09/45/27/514094527.db2.gz UBHNVWAJOKWFIO-MJGOQNOKSA-N 1 3 354.498 2.875 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323210 514094532 /nfs/dbraw/zinc/09/45/32/514094532.db2.gz UBHNVWAJOKWFIO-MJGOQNOKSA-N 1 3 354.498 2.875 20 0 FFADHO [NH3+]C[C@H]1CN(CCOc2ccccc2C(F)(F)F)CC12CCOCC2 ZINC000420323621 514095399 /nfs/dbraw/zinc/09/53/99/514095399.db2.gz GKZUIJYZMUMQHS-AWEZNQCLSA-N 1 3 358.404 2.772 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCC([C@H]3CCC[NH2+]3)CC2)C2CC2)cc1 ZINC000420331496 514098315 /nfs/dbraw/zinc/09/83/15/514098315.db2.gz FBFNWSIYKALLOX-OAQYLSRUSA-N 1 3 355.526 2.950 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000416998081 514103646 /nfs/dbraw/zinc/10/36/46/514103646.db2.gz ATMMGOKETPXSAA-BFYDXBDKSA-N 1 3 352.548 2.818 20 0 FFADHO c1ccc(Oc2ccc(OCCN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000420350480 514105965 /nfs/dbraw/zinc/10/59/65/514105965.db2.gz SXKUBUNKEPDPBE-LJQANCHMSA-N 1 3 367.493 2.837 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000417002228 514108135 /nfs/dbraw/zinc/10/81/35/514108135.db2.gz FYAQIHZWLPOOLX-BZZMCLGOSA-N 1 3 364.559 2.818 20 0 FFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccc(Br)cc1 ZINC000420368578 514111411 /nfs/dbraw/zinc/11/14/11/514111411.db2.gz UGKPKFRBGJKQRH-CQSZACIVSA-N 1 3 354.292 2.755 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)c1ccsc1 ZINC000417011921 514116097 /nfs/dbraw/zinc/11/60/97/514116097.db2.gz ULPHNJAKCJEARR-QGZVFWFLSA-N 1 3 350.532 2.740 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)Cc1ccccc1 ZINC000417013528 514119145 /nfs/dbraw/zinc/11/91/45/514119145.db2.gz YQVYSHQJUIETGB-RTWAWAEBSA-N 1 3 368.525 2.939 20 0 FFADHO CC(C)Oc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423380641 514123215 /nfs/dbraw/zinc/12/32/15/514123215.db2.gz HGVOUGBMRHZCAY-YOEHRIQHSA-N 1 3 359.436 2.961 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417021774 514125009 /nfs/dbraw/zinc/12/50/09/514125009.db2.gz KGMQCAYOKUSXMN-OAQYLSRUSA-N 1 3 366.509 2.994 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420415776 514141069 /nfs/dbraw/zinc/14/10/69/514141069.db2.gz VGDHMNRMPUFNEV-CRAIPNDOSA-N 1 3 369.513 2.734 20 0 FFADHO C[C@H](CCCC[NH3+])N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423437374 514142799 /nfs/dbraw/zinc/14/27/99/514142799.db2.gz QIHCGQNVAQPENX-NXEZZACHSA-N 1 3 368.330 2.809 20 0 FFADHO CC(C)(CNC(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCc2ccccc2C1 ZINC000417089508 514162794 /nfs/dbraw/zinc/16/27/94/514162794.db2.gz PQYZLAPGQOFMQY-UHFFFAOYSA-N 1 3 370.541 2.608 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417111886 514173014 /nfs/dbraw/zinc/17/30/14/514173014.db2.gz MGKILVZFYKLJCQ-OAQYLSRUSA-N 1 3 366.509 2.822 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(N)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000423581404 514174432 /nfs/dbraw/zinc/17/44/32/514174432.db2.gz ZBCFOMIWBXIYPS-HOJAQTOUSA-N 1 3 373.541 2.547 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000417117103 514175995 /nfs/dbraw/zinc/17/59/95/514175995.db2.gz QACMTPPBAPZMPK-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO COCCOC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000449392712 514193757 /nfs/dbraw/zinc/19/37/57/514193757.db2.gz KKEHCOLEKCRTHI-QUCCMNQESA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000449392712 514193759 /nfs/dbraw/zinc/19/37/59/514193759.db2.gz KKEHCOLEKCRTHI-QUCCMNQESA-N 1 3 368.562 2.831 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000417203724 514229566 /nfs/dbraw/zinc/22/95/66/514229566.db2.gz YZWLTNXSEKQAIF-UZLBHIALSA-N 1 3 354.498 2.678 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000417215882 514236376 /nfs/dbraw/zinc/23/63/76/514236376.db2.gz ODDIXZSBNKDKFJ-QHAWAJNXSA-N 1 3 370.541 2.711 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449530123 514243770 /nfs/dbraw/zinc/24/37/70/514243770.db2.gz CEPWJZVYICWZLM-CRAIPNDOSA-N 1 3 353.457 2.763 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000417224729 514244046 /nfs/dbraw/zinc/24/40/46/514244046.db2.gz VZJUMKZRPMWXBG-WIYYLYMNSA-N 1 3 366.509 2.992 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)c2)CC1 ZINC000423843416 514258982 /nfs/dbraw/zinc/25/89/82/514258982.db2.gz KRSKSAGIXFBQKO-DYESRHJHSA-N 1 3 356.514 2.545 20 0 FFADHO C[C@@H]1C[C@H](CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000414734866 514263033 /nfs/dbraw/zinc/26/30/33/514263033.db2.gz LHDCILDJVUMADS-HUUCEWRRSA-N 1 3 369.431 2.851 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)C1 ZINC000414737223 514264696 /nfs/dbraw/zinc/26/46/96/514264696.db2.gz AGIPLCLAUCGOQX-XMSQKQJNSA-N 1 3 355.526 2.554 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)C1 ZINC000414737223 514264701 /nfs/dbraw/zinc/26/47/01/514264701.db2.gz AGIPLCLAUCGOQX-XMSQKQJNSA-N 1 3 355.526 2.554 20 0 FFADHO C[C@@H](c1ccccc1Br)N(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753886 514275954 /nfs/dbraw/zinc/27/59/54/514275954.db2.gz FHPKTADCOSKAKD-KBPBESRZSA-N 1 3 368.319 2.639 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417291204 514278216 /nfs/dbraw/zinc/27/82/16/514278216.db2.gz ABJVLRVSQDGXGF-CVEARBPZSA-N 1 3 372.435 2.831 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(Cc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000437967958 514279792 /nfs/dbraw/zinc/27/97/92/514279792.db2.gz BELFYJWHIFERBH-UHFFFAOYSA-N 1 3 373.570 2.988 20 0 FFADHO Clc1ccc(OCc2cccnc2)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414781660 514289853 /nfs/dbraw/zinc/28/98/53/514289853.db2.gz NRBDZERDHLTLES-UHFFFAOYSA-N 1 3 374.916 2.699 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417333088 514298040 /nfs/dbraw/zinc/29/80/40/514298040.db2.gz ROQPJNIAJVHPGA-XWSJACJDSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414857872 514327880 /nfs/dbraw/zinc/32/78/80/514327880.db2.gz QKGZGQBEKMHPFV-BFYDXBDKSA-N 1 3 372.513 2.730 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427904494 514343711 /nfs/dbraw/zinc/34/37/11/514343711.db2.gz LBSDFPRULDYHAC-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427904494 514343719 /nfs/dbraw/zinc/34/37/19/514343719.db2.gz LBSDFPRULDYHAC-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO Cc1n[nH]c(C(C)C)c1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018767 514343726 /nfs/dbraw/zinc/34/37/26/514343726.db2.gz JVOUXHXQIRLWLW-UHFFFAOYSA-N 1 3 369.513 2.565 20 0 FFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CCCN1 ZINC000414960001 514376378 /nfs/dbraw/zinc/37/63/78/514376378.db2.gz SUMXWMYHJIEXFQ-BLLLJJGKSA-N 1 3 359.283 2.877 20 0 FFADHO CC(C)COc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414962798 514378390 /nfs/dbraw/zinc/37/83/90/514378390.db2.gz ALJMTETUAIIEFM-KRWDZBQOSA-N 1 3 359.436 2.647 20 0 FFADHO FC(F)(F)c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414966656 514379295 /nfs/dbraw/zinc/37/92/95/514379295.db2.gz DOIIGXFIUNIFNN-ZDUSSCGKSA-N 1 3 355.326 2.631 20 0 FFADHO COCC1(CNCc2nc3cc(C(F)(F)F)ccc3n2C)CC[NH2+]CC1 ZINC000414971761 514381514 /nfs/dbraw/zinc/38/15/14/514381514.db2.gz JCIYCUKCLUACSW-UHFFFAOYSA-N 1 3 370.419 2.698 20 0 FFADHO CSc1ccccc1C[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414986868 514388231 /nfs/dbraw/zinc/38/82/31/514388231.db2.gz OCEZHYAXKVINQA-CJNGLKHVSA-N 1 3 361.477 2.765 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(F)c(Cl)c2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000414993721 514391726 /nfs/dbraw/zinc/39/17/26/514391726.db2.gz TZYWVLUMXGIFJM-DYVFJYSZSA-N 1 3 374.287 2.869 20 0 FFADHO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415067760 514426797 /nfs/dbraw/zinc/42/67/97/514426797.db2.gz LLQLUVPJPILVPA-SFHVURJKSA-N 1 3 362.543 2.623 20 0 FFADHO [NH3+]CC1(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC1 ZINC000415068979 514427512 /nfs/dbraw/zinc/42/75/12/514427512.db2.gz OBSSGGQZTHNQSI-UHFFFAOYSA-N 1 3 362.543 2.671 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000415079762 514435163 /nfs/dbraw/zinc/43/51/63/514435163.db2.gz KNHHQVHKCBUPMP-ZDUSSCGKSA-N 1 3 374.312 2.549 20 0 FFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622145 514440854 /nfs/dbraw/zinc/44/08/54/514440854.db2.gz GPQGANGXHXJRQQ-KRWDZBQOSA-N 1 3 370.607 2.753 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)C(C)C)cc1 ZINC000424291395 514449004 /nfs/dbraw/zinc/44/90/04/514449004.db2.gz NTQRNYGRSJNFKA-LAUBAEHRSA-N 1 3 373.541 2.973 20 0 FFADHO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H](CN)c1ccc(F)cc1 ZINC000424306042 514452222 /nfs/dbraw/zinc/45/22/22/514452222.db2.gz UFSJTFAKRGLESK-LJQANCHMSA-N 1 3 357.473 2.837 20 0 FFADHO C[N@H+](Cc1ccccc1N1CCOCC1)C[C@@H](CN)c1ccc(F)cc1 ZINC000424306042 514452227 /nfs/dbraw/zinc/45/22/27/514452227.db2.gz UFSJTFAKRGLESK-LJQANCHMSA-N 1 3 357.473 2.837 20 0 FFADHO Cc1nc2ccccn2c1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415125744 514455463 /nfs/dbraw/zinc/45/54/63/514455463.db2.gz FGCRYPBPIZTVJV-UHFFFAOYSA-N 1 3 363.509 2.726 20 0 FFADHO Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cn1 ZINC000424321744 514455781 /nfs/dbraw/zinc/45/57/81/514455781.db2.gz SSYSNRJTHRUHDN-FYKMYLNBSA-N 1 3 366.509 2.750 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424379228 514466538 /nfs/dbraw/zinc/46/65/38/514466538.db2.gz OGTMHUPTBPOHQQ-LBPRGKRZSA-N 1 3 360.424 2.634 20 0 FFADHO CN(C)C1(CNC(=O)NCCC[NH2+]C2CCCCC2)Cc2ccccc2C1 ZINC000466002425 514537161 /nfs/dbraw/zinc/53/71/61/514537161.db2.gz AURKCFUQPOXQRH-UHFFFAOYSA-N 1 3 372.557 2.697 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453111586 514547987 /nfs/dbraw/zinc/54/79/87/514547987.db2.gz OZFJPWKZLWZEQL-ADHNFCLRSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453111586 514547991 /nfs/dbraw/zinc/54/79/91/514547991.db2.gz OZFJPWKZLWZEQL-ADHNFCLRSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453111586 514547994 /nfs/dbraw/zinc/54/79/94/514547994.db2.gz OZFJPWKZLWZEQL-ADHNFCLRSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000466104415 514559582 /nfs/dbraw/zinc/55/95/82/514559582.db2.gz ONSCAGHBSJNDFU-SOLBZPMBSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000466104415 514559587 /nfs/dbraw/zinc/55/95/87/514559587.db2.gz ONSCAGHBSJNDFU-SOLBZPMBSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475142505 514570525 /nfs/dbraw/zinc/57/05/25/514570525.db2.gz ZBEHKRONBFHPPB-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475142505 514570531 /nfs/dbraw/zinc/57/05/31/514570531.db2.gz ZBEHKRONBFHPPB-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000466220851 514580689 /nfs/dbraw/zinc/58/06/89/514580689.db2.gz DHFCUAFBQBZYIN-SCWSEQNSSA-N 1 3 370.541 2.605 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000466220851 514580695 /nfs/dbraw/zinc/58/06/95/514580695.db2.gz DHFCUAFBQBZYIN-SCWSEQNSSA-N 1 3 370.541 2.605 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC000466228209 514583271 /nfs/dbraw/zinc/58/32/71/514583271.db2.gz UUYPQOUVKPFTNL-MNEFBYGVSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000466282782 514595836 /nfs/dbraw/zinc/59/58/36/514595836.db2.gz IPHHHXLNOQTWHW-UTKZUKDTSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000466282780 514596645 /nfs/dbraw/zinc/59/66/45/514596645.db2.gz IPHHHXLNOQTWHW-DYESRHJHSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc(OCCN(C)C)c1 ZINC000484480199 514664455 /nfs/dbraw/zinc/66/44/55/514664455.db2.gz LTTKFXOTKPWPSV-LPHOPBHVSA-N 1 3 351.560 2.715 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000466517851 514671246 /nfs/dbraw/zinc/67/12/46/514671246.db2.gz KRHFVXQNAKOWMH-GIVPXCGWSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)C1 ZINC000489080118 514698981 /nfs/dbraw/zinc/69/89/81/514698981.db2.gz SWQSCQQSTXSWPA-XWTMOSNGSA-N 1 3 352.567 2.725 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000508330229 514746124 /nfs/dbraw/zinc/74/61/24/514746124.db2.gz GXODYNDIGIZOPO-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000498105487 514762081 /nfs/dbraw/zinc/76/20/81/514762081.db2.gz BNUXABLONHOFDR-AQNXPRMDSA-N 1 3 358.530 2.805 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccsc1 ZINC000498151325 514781665 /nfs/dbraw/zinc/78/16/65/514781665.db2.gz OPROMFOGXHPWHQ-KBAYOESNSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccsc1 ZINC000498151325 514781673 /nfs/dbraw/zinc/78/16/73/514781673.db2.gz OPROMFOGXHPWHQ-KBAYOESNSA-N 1 3 364.559 2.867 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2cccnc21 ZINC000508455215 514783120 /nfs/dbraw/zinc/78/31/20/514783120.db2.gz YEMUYYYAONSKDY-GOSISDBHSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2cccnc21 ZINC000508455215 514783128 /nfs/dbraw/zinc/78/31/28/514783128.db2.gz YEMUYYYAONSKDY-GOSISDBHSA-N 1 3 354.498 2.723 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000502823742 514794492 /nfs/dbraw/zinc/79/44/92/514794492.db2.gz BPFZKYPSTYAKST-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000502823742 514794501 /nfs/dbraw/zinc/79/45/01/514794501.db2.gz BPFZKYPSTYAKST-IAGOWNOFSA-N 1 3 364.559 2.696 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000458451178 514806428 /nfs/dbraw/zinc/80/64/28/514806428.db2.gz VUIIKFLNLCHELU-ZVZYQTTQSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000458451178 514806439 /nfs/dbraw/zinc/80/64/39/514806439.db2.gz VUIIKFLNLCHELU-ZVZYQTTQSA-N 1 3 364.559 2.793 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000502862213 514815213 /nfs/dbraw/zinc/81/52/13/514815213.db2.gz NBKZTVILEYTLQS-IRXDYDNUSA-N 1 3 350.551 2.671 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000462013797 514832687 /nfs/dbraw/zinc/83/26/87/514832687.db2.gz LNBUADJPVLRVNU-CRAIPNDOSA-N 1 3 352.498 2.848 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000462013797 514832701 /nfs/dbraw/zinc/83/27/01/514832701.db2.gz LNBUADJPVLRVNU-CRAIPNDOSA-N 1 3 352.498 2.848 20 0 FFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000502900810 514836799 /nfs/dbraw/zinc/83/67/99/514836799.db2.gz YLSPQLJLAKEDMD-LJQANCHMSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000498288830 514848314 /nfs/dbraw/zinc/84/83/14/514848314.db2.gz QXZPJQNVYICMTA-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000498288830 514848321 /nfs/dbraw/zinc/84/83/21/514848321.db2.gz QXZPJQNVYICMTA-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCN1CCCCC1 ZINC000471371924 514854686 /nfs/dbraw/zinc/85/46/86/514854686.db2.gz AXEPFYVBWJFKMN-KXTWHKPSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCN1CCCCC1 ZINC000471371924 514854698 /nfs/dbraw/zinc/85/46/98/514854698.db2.gz AXEPFYVBWJFKMN-KXTWHKPSSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC000458512073 514860214 /nfs/dbraw/zinc/86/02/14/514860214.db2.gz MNQDTUTTWSIGIK-GOSISDBHSA-N 1 3 364.578 2.870 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000476055418 514900146 /nfs/dbraw/zinc/90/01/46/514900146.db2.gz WBXMOYHCUOSTBW-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000476055418 514900159 /nfs/dbraw/zinc/90/01/59/514900159.db2.gz WBXMOYHCUOSTBW-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000462206345 514940815 /nfs/dbraw/zinc/94/08/15/514940815.db2.gz BJKZVXJSXRSSCB-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000462206346 514941794 /nfs/dbraw/zinc/94/17/94/514941794.db2.gz BJKZVXJSXRSSCB-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN(C2CCC2)C1 ZINC000489761216 514964745 /nfs/dbraw/zinc/96/47/45/514964745.db2.gz DQNINNNNYMYPMD-WWDZGPRUSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000476429677 515047448 /nfs/dbraw/zinc/04/74/48/515047448.db2.gz FYHACTRUMNSKKP-HXUWFJFHSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000503520683 515065652 /nfs/dbraw/zinc/06/56/52/515065652.db2.gz IGLPMKZHMKXTHA-DYESRHJHSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccco1 ZINC000458767946 515076935 /nfs/dbraw/zinc/07/69/35/515076935.db2.gz LVUORJBWXXMIIM-BQFCYCMXSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccco1 ZINC000458767946 515076946 /nfs/dbraw/zinc/07/69/46/515076946.db2.gz LVUORJBWXXMIIM-BQFCYCMXSA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1ccco1 ZINC000458767946 515076956 /nfs/dbraw/zinc/07/69/56/515076956.db2.gz LVUORJBWXXMIIM-BQFCYCMXSA-N 1 3 362.518 2.835 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000458771347 515079542 /nfs/dbraw/zinc/07/95/42/515079542.db2.gz MLLAJJBPPVMLRD-PNEOLPHYSA-N 1 3 358.530 2.911 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000458771347 515079545 /nfs/dbraw/zinc/07/95/45/515079545.db2.gz MLLAJJBPPVMLRD-PNEOLPHYSA-N 1 3 358.530 2.911 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000467870008 515150530 /nfs/dbraw/zinc/15/05/30/515150530.db2.gz ZQRZQXBMGYOQPB-UKRRQHHQSA-N 1 3 368.319 2.687 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476679866 515155516 /nfs/dbraw/zinc/15/55/16/515155516.db2.gz BJIQZASUHNLJHM-IAGOWNOFSA-N 1 3 362.543 2.763 20 0 FFADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476679866 515155525 /nfs/dbraw/zinc/15/55/25/515155525.db2.gz BJIQZASUHNLJHM-IAGOWNOFSA-N 1 3 362.543 2.763 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000458876173 515164494 /nfs/dbraw/zinc/16/44/94/515164494.db2.gz ADLILIOWFMHSSO-AEFFLSMTSA-N 1 3 364.559 2.747 20 0 FFADHO CC[C@@H]1CN(CCn2ccnc2C)[C@@H](CC)C[N@@H+]1CCn1ccnc1C ZINC000499058238 515181833 /nfs/dbraw/zinc/18/18/33/515181833.db2.gz YUQSCJZAEGYWLN-BGYRXZFFSA-N 1 3 358.534 2.571 20 0 FFADHO CC[C@@H]1CN(CCn2ccnc2C)[C@@H](CC)C[N@H+]1CCn1ccnc1C ZINC000499058238 515181837 /nfs/dbraw/zinc/18/18/37/515181837.db2.gz YUQSCJZAEGYWLN-BGYRXZFFSA-N 1 3 358.534 2.571 20 0 FFADHO CC[C@@H]1C[N@H+](CCn2ccnc2C)[C@@H](CC)CN1CCn1ccnc1C ZINC000499058238 515181850 /nfs/dbraw/zinc/18/18/50/515181850.db2.gz YUQSCJZAEGYWLN-BGYRXZFFSA-N 1 3 358.534 2.571 20 0 FFADHO CC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@@H](CC)CN1CCn1ccnc1C ZINC000499058238 515181858 /nfs/dbraw/zinc/18/18/58/515181858.db2.gz YUQSCJZAEGYWLN-BGYRXZFFSA-N 1 3 358.534 2.571 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccco1 ZINC000509580694 515243546 /nfs/dbraw/zinc/24/35/46/515243546.db2.gz ZLFUZOSAWCARKI-FJIDUMEYSA-N 1 3 362.518 2.977 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccco1 ZINC000509592886 515249708 /nfs/dbraw/zinc/24/97/08/515249708.db2.gz BMDNNTGJGIDZJN-BZSNNMDCSA-N 1 3 362.518 2.979 20 0 FFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN(CCC(=O)N(C)C)CC1 ZINC000477050550 515303780 /nfs/dbraw/zinc/30/37/80/515303780.db2.gz WHIOOLGHNDZPDG-UHFFFAOYSA-N 1 3 354.498 2.706 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000468467780 515372858 /nfs/dbraw/zinc/37/28/58/515372858.db2.gz BTWLUGDIJGVUGL-RTBURBONSA-N 1 3 372.557 2.821 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000468467780 515372864 /nfs/dbraw/zinc/37/28/64/515372864.db2.gz BTWLUGDIJGVUGL-RTBURBONSA-N 1 3 372.557 2.821 20 0 FFADHO C[NH+]1CCC(CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000486225303 515387316 /nfs/dbraw/zinc/38/73/16/515387316.db2.gz BAHZSPKSQRUJSL-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccccc1C ZINC000510052505 515417941 /nfs/dbraw/zinc/41/79/41/515417941.db2.gz AANMAKORPNQBTQ-FQEVSTJZSA-N 1 3 360.546 2.595 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccccc1C ZINC000510052505 515417944 /nfs/dbraw/zinc/41/79/44/515417944.db2.gz AANMAKORPNQBTQ-FQEVSTJZSA-N 1 3 360.546 2.595 20 0 FFADHO COc1ccccc1[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N(C)C ZINC000459374051 515508919 /nfs/dbraw/zinc/50/89/19/515508919.db2.gz SNNHTLJRTSZSNM-HXUWFJFHSA-N 1 3 354.498 2.952 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000510403955 515529963 /nfs/dbraw/zinc/52/99/63/515529963.db2.gz XVKDRPOQYXWDHH-RBUKOAKNSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000510403955 515529970 /nfs/dbraw/zinc/52/99/70/515529970.db2.gz XVKDRPOQYXWDHH-RBUKOAKNSA-N 1 3 372.557 2.679 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000473277315 515560467 /nfs/dbraw/zinc/56/04/67/515560467.db2.gz NDFYQJWDGLFWEM-HXUWFJFHSA-N 1 3 360.546 2.929 20 0 FFADHO O=C1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1c1c(F)cccc1F ZINC000459456848 515566599 /nfs/dbraw/zinc/56/65/99/515566599.db2.gz FECHHUGYCIUWHJ-OAHLLOKOSA-N 1 3 372.419 2.724 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC000457077297 515630131 /nfs/dbraw/zinc/63/01/31/515630131.db2.gz PCSXEJCXJADBMG-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@H+]3CCCC3(C)C)cc2)CC1 ZINC000457077297 515630141 /nfs/dbraw/zinc/63/01/41/515630141.db2.gz PCSXEJCXJADBMG-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000505691732 515633840 /nfs/dbraw/zinc/63/38/40/515633840.db2.gz KAWQMANFYCOIFF-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000505691732 515633852 /nfs/dbraw/zinc/63/38/52/515633852.db2.gz KAWQMANFYCOIFF-VAMGGRTRSA-N 1 3 358.530 2.996 20 0 FFADHO CCc1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN2CC)s1 ZINC000505801729 515678730 /nfs/dbraw/zinc/67/87/30/515678730.db2.gz LCJNZGGILJCNPW-OAHLLOKOSA-N 1 3 352.548 2.502 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCOc1cccc(C)c1 ZINC000505822594 515685883 /nfs/dbraw/zinc/68/58/83/515685883.db2.gz ASFXNJPAHOYHEG-LJQANCHMSA-N 1 3 361.530 2.638 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCOc1cccc(C)c1 ZINC000505822594 515685887 /nfs/dbraw/zinc/68/58/87/515685887.db2.gz ASFXNJPAHOYHEG-LJQANCHMSA-N 1 3 361.530 2.638 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000469254364 515742578 /nfs/dbraw/zinc/74/25/78/515742578.db2.gz DVHODHHIDXNIHZ-WOJBJXKFSA-N 1 3 372.557 2.578 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(I)cc1 ZINC000511027833 515750032 /nfs/dbraw/zinc/75/00/32/515750032.db2.gz JAMWFVJGNSHTPF-IUODEOHRSA-N 1 3 374.266 2.600 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(I)cc1 ZINC000511027833 515750043 /nfs/dbraw/zinc/75/00/43/515750043.db2.gz JAMWFVJGNSHTPF-IUODEOHRSA-N 1 3 374.266 2.600 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000473964894 515823390 /nfs/dbraw/zinc/82/33/90/515823390.db2.gz QARWOFGRRKYDTM-ZHALLVOQSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C ZINC000506243358 515825797 /nfs/dbraw/zinc/82/57/97/515825797.db2.gz KLOCMZSCXNRZCH-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000457366006 515831008 /nfs/dbraw/zinc/83/10/08/515831008.db2.gz CKQHJDOUGRROAH-UHFFFAOYSA-N 1 3 366.509 2.995 20 0 FFADHO COc1ccc2c(c1)[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)CCC2 ZINC000482873160 515831731 /nfs/dbraw/zinc/83/17/31/515831731.db2.gz KICUZZDTBVYBKI-FQEVSTJZSA-N 1 3 359.514 2.605 20 0 FFADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482895597 515837846 /nfs/dbraw/zinc/83/78/46/515837846.db2.gz YMBSEZHBGZSLHC-VFNWGFHPSA-N 1 3 361.505 2.981 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000474007232 515840345 /nfs/dbraw/zinc/84/03/45/515840345.db2.gz FNQCPJUBXZDBQW-OAQYLSRUSA-N 1 3 351.494 2.928 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)N(C)C)cc1 ZINC000457476037 515899620 /nfs/dbraw/zinc/89/96/20/515899620.db2.gz KDDGBWQVHHPIIT-RBBKRZOGSA-N 1 3 372.557 2.979 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)N(C)C)cc1 ZINC000457476037 515899630 /nfs/dbraw/zinc/89/96/30/515899630.db2.gz KDDGBWQVHHPIIT-RBBKRZOGSA-N 1 3 372.557 2.979 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](CC)[C@H](C)C3)cc2)CC1 ZINC000469685543 515918347 /nfs/dbraw/zinc/91/83/47/515918347.db2.gz XBGDBNYLUGJFLB-NQIIRXRSSA-N 1 3 372.557 2.773 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](CC)[C@H](C)C3)cc2)CC1 ZINC000469685543 515918354 /nfs/dbraw/zinc/91/83/54/515918354.db2.gz XBGDBNYLUGJFLB-NQIIRXRSSA-N 1 3 372.557 2.773 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000457518367 515936470 /nfs/dbraw/zinc/93/64/70/515936470.db2.gz SQBVOTQXZQILHC-HXUWFJFHSA-N 1 3 358.530 2.907 20 0 FFADHO CNC(=O)c1cccc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501063367 515959393 /nfs/dbraw/zinc/95/93/93/515959393.db2.gz OLMDYEHNDLVUMQ-UHFFFAOYSA-N 1 3 352.482 2.790 20 0 FFADHO CNC(=O)c1cccc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501063367 515959404 /nfs/dbraw/zinc/95/94/04/515959404.db2.gz OLMDYEHNDLVUMQ-UHFFFAOYSA-N 1 3 352.482 2.790 20 0 FFADHO CN(C)C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)Cc2ccccc2C1 ZINC000483177222 515970324 /nfs/dbraw/zinc/97/03/24/515970324.db2.gz ZGUJOJALHSPUEW-HXUWFJFHSA-N 1 3 369.553 2.856 20 0 FFADHO CN(C)C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)Cc2ccccc2C1 ZINC000483177222 515970333 /nfs/dbraw/zinc/97/03/33/515970333.db2.gz ZGUJOJALHSPUEW-HXUWFJFHSA-N 1 3 369.553 2.856 20 0 FFADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)C[NH+]1CCCCC1 ZINC000511644642 515977216 /nfs/dbraw/zinc/97/72/16/515977216.db2.gz PESOBLGDQVFIRH-KRWDZBQOSA-N 1 3 362.518 2.871 20 0 FFADHO CSCCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000464881232 516002181 /nfs/dbraw/zinc/00/21/81/516002181.db2.gz AWSHVAPQMOVSBN-UHFFFAOYSA-N 1 3 363.571 2.700 20 0 FFADHO Cc1cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc2cccnc12 ZINC000469861411 516003176 /nfs/dbraw/zinc/00/31/76/516003176.db2.gz WUJGGOUOWPJGCZ-FXAWDEMLSA-N 1 3 366.509 2.623 20 0 FFADHO Cc1cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc2cccnc12 ZINC000469861412 516003729 /nfs/dbraw/zinc/00/37/29/516003729.db2.gz WUJGGOUOWPJGCZ-PXNSSMCTSA-N 1 3 366.509 2.623 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000464882020 516005248 /nfs/dbraw/zinc/00/52/48/516005248.db2.gz FAFCXFAQDHRGGK-HXUWFJFHSA-N 1 3 363.521 2.925 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000487964841 516054433 /nfs/dbraw/zinc/05/44/33/516054433.db2.gz QXAPKHXRKDXXIF-CADBVGFASA-N 1 3 364.578 2.869 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC000487964841 516054443 /nfs/dbraw/zinc/05/44/43/516054443.db2.gz QXAPKHXRKDXXIF-CADBVGFASA-N 1 3 364.578 2.869 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000457674429 516059945 /nfs/dbraw/zinc/05/99/45/516059945.db2.gz RISVRJWKSCOJDZ-HXUWFJFHSA-N 1 3 358.530 2.907 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]CCC(C)(C)C(=O)OC)cc2)CC1 ZINC000474496128 516067512 /nfs/dbraw/zinc/06/75/12/516067512.db2.gz WWDRSCBUWHOWFV-UHFFFAOYSA-N 1 3 361.530 2.503 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000470012277 516080318 /nfs/dbraw/zinc/08/03/18/516080318.db2.gz GNCDBZMPCUOCDJ-LJQANCHMSA-N 1 3 355.457 2.780 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000479190555 516098818 /nfs/dbraw/zinc/09/88/18/516098818.db2.gz SFJNAYHHKAGHPQ-MBOZVWFJSA-N 1 3 361.505 2.981 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000479190555 516098830 /nfs/dbraw/zinc/09/88/30/516098830.db2.gz SFJNAYHHKAGHPQ-MBOZVWFJSA-N 1 3 361.505 2.981 20 0 FFADHO NC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000479215428 516112711 /nfs/dbraw/zinc/11/27/11/516112711.db2.gz WLQZVUROVPFHRG-FQEVSTJZSA-N 1 3 355.457 2.780 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000507200565 516121808 /nfs/dbraw/zinc/12/18/08/516121808.db2.gz DEJLSDXLQBIXRH-MSOLQXFVSA-N 1 3 365.468 2.600 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000495303441 516133535 /nfs/dbraw/zinc/13/35/35/516133535.db2.gz KGSJCRXFUVTCCU-GOSISDBHSA-N 1 3 361.530 2.869 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1CCCC[C@@H]1C ZINC000501533001 516142736 /nfs/dbraw/zinc/14/27/36/516142736.db2.gz PLZXSHHTSCIUFH-OALUTQOASA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@H+]1CCCC[C@@H]1C ZINC000501533001 516142745 /nfs/dbraw/zinc/14/27/45/516142745.db2.gz PLZXSHHTSCIUFH-OALUTQOASA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000488168775 516143056 /nfs/dbraw/zinc/14/30/56/516143056.db2.gz ZFQRBKCHCJFJQM-ABSDTBQOSA-N 1 3 358.530 2.620 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1CCCC[C@@H]1C ZINC000501533004 516143355 /nfs/dbraw/zinc/14/33/55/516143355.db2.gz PLZXSHHTSCIUFH-RBUKOAKNSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[N@H+]1CCCC[C@@H]1C ZINC000501533004 516143365 /nfs/dbraw/zinc/14/33/65/516143365.db2.gz PLZXSHHTSCIUFH-RBUKOAKNSA-N 1 3 372.557 2.997 20 0 FFADHO CN(C)C1(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)Cc2ccccc2C1 ZINC000465438428 516153040 /nfs/dbraw/zinc/15/30/40/516153040.db2.gz XLYCNAZTGIWVQX-UHFFFAOYSA-N 1 3 372.557 2.649 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)Cc1ccccc1 ZINC000465521470 516179642 /nfs/dbraw/zinc/17/96/42/516179642.db2.gz HQEKGHVCBQWUAR-SXLOBPIMSA-N 1 3 360.546 2.721 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)N1CCc2ccccc2C1 ZINC000465537331 516185330 /nfs/dbraw/zinc/18/53/30/516185330.db2.gz BYTIUXLCWAHQTF-NHCUHLMSSA-N 1 3 372.557 2.949 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000465538051 516186855 /nfs/dbraw/zinc/18/68/55/516186855.db2.gz HYBSFKQPXNHZKP-PWIZWCRZSA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000465538051 516186865 /nfs/dbraw/zinc/18/68/65/516186865.db2.gz HYBSFKQPXNHZKP-PWIZWCRZSA-N 1 3 358.530 2.605 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000501772455 516220361 /nfs/dbraw/zinc/22/03/61/516220361.db2.gz BSPHBGMAOZIOHE-FQEVSTJZSA-N 1 3 360.546 2.710 20 0 FFADHO c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507513687 516228804 /nfs/dbraw/zinc/22/88/04/516228804.db2.gz AJDBLRHSRIXIJC-ZCNNSNEGSA-N 1 3 351.498 2.656 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507513687 516228810 /nfs/dbraw/zinc/22/88/10/516228810.db2.gz AJDBLRHSRIXIJC-ZCNNSNEGSA-N 1 3 351.498 2.656 20 0 FFADHO c1nnc(C2CC2)n1CCN[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507513687 516228818 /nfs/dbraw/zinc/22/88/18/516228818.db2.gz AJDBLRHSRIXIJC-ZCNNSNEGSA-N 1 3 351.498 2.656 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)N(C)C)cc1 ZINC000488465133 516232251 /nfs/dbraw/zinc/23/22/51/516232251.db2.gz XGKGIRXVPMHRGI-RLLQIKCJSA-N 1 3 358.530 2.866 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512319823 516237453 /nfs/dbraw/zinc/23/74/53/516237453.db2.gz NOFLIOQPZPPOEM-QGZVFWFLSA-N 1 3 353.457 2.600 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512319823 516237456 /nfs/dbraw/zinc/23/74/56/516237456.db2.gz NOFLIOQPZPPOEM-QGZVFWFLSA-N 1 3 353.457 2.600 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512319822 516237870 /nfs/dbraw/zinc/23/78/70/516237870.db2.gz NOFLIOQPZPPOEM-KRWDZBQOSA-N 1 3 353.457 2.600 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512319822 516237875 /nfs/dbraw/zinc/23/78/75/516237875.db2.gz NOFLIOQPZPPOEM-KRWDZBQOSA-N 1 3 353.457 2.600 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457935779 516239247 /nfs/dbraw/zinc/23/92/47/516239247.db2.gz ODBWDUOVBAPMBH-PXNSSMCTSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457935779 516239257 /nfs/dbraw/zinc/23/92/57/516239257.db2.gz ODBWDUOVBAPMBH-PXNSSMCTSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000496646858 516273686 /nfs/dbraw/zinc/27/36/86/516273686.db2.gz DIXAMVACXJFQSX-MSOLQXFVSA-N 1 3 350.482 2.602 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000496646858 516273694 /nfs/dbraw/zinc/27/36/94/516273694.db2.gz DIXAMVACXJFQSX-MSOLQXFVSA-N 1 3 350.482 2.602 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000512427398 516274928 /nfs/dbraw/zinc/27/49/28/516274928.db2.gz SSGBWWYVVGONGJ-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000512427398 516274937 /nfs/dbraw/zinc/27/49/37/516274937.db2.gz SSGBWWYVVGONGJ-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)N1CCN(C)CC1 ZINC000550608424 516351726 /nfs/dbraw/zinc/35/17/26/516351726.db2.gz GPCVVPZVNGKTTN-FKBYEOEOSA-N 1 3 358.574 2.684 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000531357651 516425619 /nfs/dbraw/zinc/42/56/19/516425619.db2.gz PDRFOBFXLYTQKR-NHCUHLMSSA-N 1 3 353.510 2.895 20 0 FFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000540076320 516431957 /nfs/dbraw/zinc/43/19/57/516431957.db2.gz YDCNFQLZWCISQN-ROUUACIJSA-N 1 3 373.545 2.860 20 0 FFADHO CC1(C)CC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC000523366025 516451085 /nfs/dbraw/zinc/45/10/85/516451085.db2.gz FUMFIPVUINKEIZ-QGZVFWFLSA-N 1 3 358.530 2.719 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000554481182 516456382 /nfs/dbraw/zinc/45/63/82/516456382.db2.gz LXCHCRGHKDITCT-YLJYHZDGSA-N 1 3 358.530 2.821 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000528491623 516475387 /nfs/dbraw/zinc/47/53/87/516475387.db2.gz XRACIJKDIZGIJV-NJDAHSKKSA-N 1 3 357.542 2.993 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000528491623 516475397 /nfs/dbraw/zinc/47/53/97/516475397.db2.gz XRACIJKDIZGIJV-NJDAHSKKSA-N 1 3 357.542 2.993 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000531497451 516499173 /nfs/dbraw/zinc/49/91/73/516499173.db2.gz IXWSDDPMHKAFBI-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000531497451 516499180 /nfs/dbraw/zinc/49/91/80/516499180.db2.gz IXWSDDPMHKAFBI-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)CC1 ZINC000535899090 516549188 /nfs/dbraw/zinc/54/91/88/516549188.db2.gz WMTHWOQVXVPQPT-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000544180060 516628484 /nfs/dbraw/zinc/62/84/84/516628484.db2.gz ZSQNJOVBABSTTO-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)c1 ZINC000528713790 516636951 /nfs/dbraw/zinc/63/69/51/516636951.db2.gz IYOQXMSBOIQARK-UHFFFAOYSA-N 1 3 354.454 2.552 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)OCCNC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528711589 516638074 /nfs/dbraw/zinc/63/80/74/516638074.db2.gz BYDNSJDEOHCPPN-WBVHZDCISA-N 1 3 372.513 2.943 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)OCCNC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528711589 516638084 /nfs/dbraw/zinc/63/80/84/516638084.db2.gz BYDNSJDEOHCPPN-WBVHZDCISA-N 1 3 372.513 2.943 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536136066 516644594 /nfs/dbraw/zinc/64/45/94/516644594.db2.gz KSXNTHXUBWQTOE-LCLWPZTBSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536136066 516644601 /nfs/dbraw/zinc/64/46/01/516644601.db2.gz KSXNTHXUBWQTOE-LCLWPZTBSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000518461413 516669412 /nfs/dbraw/zinc/66/94/12/516669412.db2.gz WGDSBQUBPSRFND-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000518461413 516669420 /nfs/dbraw/zinc/66/94/20/516669420.db2.gz WGDSBQUBPSRFND-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000513656628 516708365 /nfs/dbraw/zinc/70/83/65/516708365.db2.gz WAIQUFIPPIWMGI-BURNTYAHSA-N 1 3 365.525 2.873 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000558377578 516711579 /nfs/dbraw/zinc/71/15/79/516711579.db2.gz UUYNFYNJHUUKRI-RDJZCZTQSA-N 1 3 350.507 2.881 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000513742037 516737564 /nfs/dbraw/zinc/73/75/64/516737564.db2.gz SUKYCSUDQSCEQU-NRFANRHFSA-N 1 3 356.558 2.889 20 0 FFADHO CCN(CC)[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1cccc(OC)c1 ZINC000548085490 516753615 /nfs/dbraw/zinc/75/36/15/516753615.db2.gz PHBGWWYVCUHNMK-LJQANCHMSA-N 1 3 359.514 2.823 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000548163162 516801651 /nfs/dbraw/zinc/80/16/51/516801651.db2.gz ZSIQVRHWXYOPMC-CEMLEFRQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000548163162 516801662 /nfs/dbraw/zinc/80/16/62/516801662.db2.gz ZSIQVRHWXYOPMC-CEMLEFRQSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000548163162 516801671 /nfs/dbraw/zinc/80/16/71/516801671.db2.gz ZSIQVRHWXYOPMC-CEMLEFRQSA-N 1 3 359.558 2.843 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@H+](C)Cc1ccccc1)N1CCC(C)CC1 ZINC000514034745 516838931 /nfs/dbraw/zinc/83/89/31/516838931.db2.gz OARMIEXITMZYFU-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)N1CCC(C)CC1 ZINC000514034745 516838943 /nfs/dbraw/zinc/83/89/43/516838943.db2.gz OARMIEXITMZYFU-IBGZPJMESA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000514054804 516843524 /nfs/dbraw/zinc/84/35/24/516843524.db2.gz WIQNKWFEHFWWII-ZHALLVOQSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000514054804 516843533 /nfs/dbraw/zinc/84/35/33/516843533.db2.gz WIQNKWFEHFWWII-ZHALLVOQSA-N 1 3 356.514 2.605 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000524930564 516872114 /nfs/dbraw/zinc/87/21/14/516872114.db2.gz VREAWYNSUNTJTE-LJQANCHMSA-N 1 3 360.546 2.934 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000514168558 516887264 /nfs/dbraw/zinc/88/72/64/516887264.db2.gz ZFGQLTMPBZPQAT-UYAOXDASSA-N 1 3 360.546 2.883 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC000514168558 516887276 /nfs/dbraw/zinc/88/72/76/516887276.db2.gz ZFGQLTMPBZPQAT-UYAOXDASSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000514202376 516901573 /nfs/dbraw/zinc/90/15/73/516901573.db2.gz WKVXGKAPECYOOB-HDAAZOAOSA-N 1 3 374.573 2.825 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000514202376 516901587 /nfs/dbraw/zinc/90/15/87/516901587.db2.gz WKVXGKAPECYOOB-HDAAZOAOSA-N 1 3 374.573 2.825 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000536866681 516958063 /nfs/dbraw/zinc/95/80/63/516958063.db2.gz AAOHDCFAGDFZLX-HSALFYBXSA-N 1 3 355.526 2.996 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000525290725 516996410 /nfs/dbraw/zinc/99/64/10/516996410.db2.gz GBFFVGUAFZJGMD-POAQFYNOSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000525290725 516996420 /nfs/dbraw/zinc/99/64/20/516996420.db2.gz GBFFVGUAFZJGMD-POAQFYNOSA-N 1 3 374.529 2.614 20 0 FFADHO COCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000552042640 517047916 /nfs/dbraw/zinc/04/79/16/517047916.db2.gz RUENSSUGBRBYTQ-CWBXHPNXSA-N 1 3 371.569 2.988 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C[C@H]21 ZINC000519589720 517063551 /nfs/dbraw/zinc/06/35/51/517063551.db2.gz ADSYUSXWTLHHOR-WTGUMLROSA-N 1 3 356.514 2.592 20 0 FFADHO CCN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000529353271 517096577 /nfs/dbraw/zinc/09/65/77/517096577.db2.gz GPIAJALUGWTNNA-MOPGFXCFSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@@H](C)CN1 ZINC000529387875 517117905 /nfs/dbraw/zinc/11/79/05/517117905.db2.gz QIYBWGRXOLOAJY-BFQNTYOBSA-N 1 3 373.328 2.988 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000529387875 517117913 /nfs/dbraw/zinc/11/79/13/517117913.db2.gz QIYBWGRXOLOAJY-BFQNTYOBSA-N 1 3 373.328 2.988 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3CC(C)C)CC2)CC1 ZINC000519833277 517209014 /nfs/dbraw/zinc/20/90/14/517209014.db2.gz MOJMYYXIZREQDY-UHFFFAOYSA-N 1 3 361.534 2.674 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000556045178 517243005 /nfs/dbraw/zinc/24/30/05/517243005.db2.gz BZYCDMNXIMOUCE-BDTNDASRSA-N 1 3 369.553 2.742 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000556045178 517243010 /nfs/dbraw/zinc/24/30/10/517243010.db2.gz BZYCDMNXIMOUCE-BDTNDASRSA-N 1 3 369.553 2.742 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000556045178 517243020 /nfs/dbraw/zinc/24/30/20/517243020.db2.gz BZYCDMNXIMOUCE-BDTNDASRSA-N 1 3 369.553 2.742 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CN1Cc1ccccc1 ZINC000541854648 517252273 /nfs/dbraw/zinc/25/22/73/517252273.db2.gz OSHVRBLSDIYZFD-MJGOQNOKSA-N 1 3 352.482 2.687 20 0 FFADHO CN(CCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000541854927 517253286 /nfs/dbraw/zinc/25/32/86/517253286.db2.gz DVGXNPFZUFALDL-HXUWFJFHSA-N 1 3 366.509 2.589 20 0 FFADHO CN(CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1 ZINC000541854927 517253289 /nfs/dbraw/zinc/25/32/89/517253289.db2.gz DVGXNPFZUFALDL-HXUWFJFHSA-N 1 3 366.509 2.589 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000515299469 517286621 /nfs/dbraw/zinc/28/66/21/517286621.db2.gz IGJHHXLUYUIVTQ-QGZVFWFLSA-N 1 3 353.551 2.550 20 0 FFADHO CN1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000520210677 517302112 /nfs/dbraw/zinc/30/21/12/517302112.db2.gz AGGLMUDEJVHNOL-UHFFFAOYSA-N 1 3 358.530 2.910 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000545859722 517397353 /nfs/dbraw/zinc/39/73/53/517397353.db2.gz WRKBMHVWVORENV-FQEVSTJZSA-N 1 3 356.514 2.602 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000545859722 517397362 /nfs/dbraw/zinc/39/73/62/517397362.db2.gz WRKBMHVWVORENV-FQEVSTJZSA-N 1 3 356.514 2.602 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000545867098 517403108 /nfs/dbraw/zinc/40/31/08/517403108.db2.gz NYTHZBAZMJOVOC-QUCCMNQESA-N 1 3 356.514 2.773 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000545867098 517403116 /nfs/dbraw/zinc/40/31/16/517403116.db2.gz NYTHZBAZMJOVOC-QUCCMNQESA-N 1 3 356.514 2.773 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000520607979 517454107 /nfs/dbraw/zinc/45/41/07/517454107.db2.gz NKDHKGRAOVHKFB-UYWIDEMCSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000520607979 517454114 /nfs/dbraw/zinc/45/41/14/517454114.db2.gz NKDHKGRAOVHKFB-UYWIDEMCSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3ccn(C)n3)cc2)C[C@H]1C ZINC000538122800 517472023 /nfs/dbraw/zinc/47/20/23/517472023.db2.gz RHHHHBXJOAAXEH-HDICACEKSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3ccn(C)n3)cc2)C[C@H]1C ZINC000538122800 517472032 /nfs/dbraw/zinc/47/20/32/517472032.db2.gz RHHHHBXJOAAXEH-HDICACEKSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000515810886 517482434 /nfs/dbraw/zinc/48/24/34/517482434.db2.gz FJGOSFZHPAJZLC-XLIONFOSSA-N 1 3 356.514 2.649 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000520754415 517500334 /nfs/dbraw/zinc/50/03/34/517500334.db2.gz UHSZIHOXSASEQO-RTBURBONSA-N 1 3 372.557 2.997 20 0 FFADHO CN(CCCN(C)Cc1cc(Br)ccc1F)CC[NH+](C)C ZINC000520881265 517541569 /nfs/dbraw/zinc/54/15/69/517541569.db2.gz IDQNIYKXLXMTSX-UHFFFAOYSA-N 1 3 360.315 2.904 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000520909539 517549577 /nfs/dbraw/zinc/54/95/77/517549577.db2.gz SLDQHSAHEUROLL-IBGZPJMESA-N 1 3 350.551 2.911 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000520909539 517549586 /nfs/dbraw/zinc/54/95/86/517549586.db2.gz SLDQHSAHEUROLL-IBGZPJMESA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000516163644 517595935 /nfs/dbraw/zinc/59/59/35/517595935.db2.gz NMSFIWDZAJQWND-UWJYYQICSA-N 1 3 370.541 2.996 20 0 FFADHO Cn1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(-c2ccccc2)n1 ZINC000530249079 517654744 /nfs/dbraw/zinc/65/47/44/517654744.db2.gz TYSCPFATQRZIRE-FQEVSTJZSA-N 1 3 354.498 2.678 20 0 FFADHO CNC(=O)[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)Cc1ccc(F)cc1C ZINC000516467526 517701610 /nfs/dbraw/zinc/70/16/10/517701610.db2.gz OOQSKGXAXJWRKO-GOSISDBHSA-N 1 3 361.505 2.503 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)c1OC ZINC000556858830 517712517 /nfs/dbraw/zinc/71/25/17/517712517.db2.gz JYICUIIZRQCPPA-KRWDZBQOSA-N 1 3 363.546 2.560 20 0 FFADHO CN(CCC(=O)N1CCCN(Cc2ccccc2)CC1)c1cc[nH+]cc1 ZINC000542785630 517739566 /nfs/dbraw/zinc/73/95/66/517739566.db2.gz DZCIBRLXNXHKTI-UHFFFAOYSA-N 1 3 352.482 2.642 20 0 FFADHO CN(CCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc[nH+]cc1 ZINC000542787678 517741566 /nfs/dbraw/zinc/74/15/66/517741566.db2.gz HEGLDIFFENEVIS-KRWDZBQOSA-N 1 3 372.538 2.998 20 0 FFADHO Cc1cc(N2CCCC2)ccc1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000563211904 517741799 /nfs/dbraw/zinc/74/17/99/517741799.db2.gz QNXRMIKTYOYLLT-SFHVURJKSA-N 1 3 370.541 2.998 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCN(C)c3ccncc3)C2)CC1 ZINC000542786963 517742672 /nfs/dbraw/zinc/74/26/72/517742672.db2.gz NICCVUFCLHADAL-LJQANCHMSA-N 1 3 358.530 2.878 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000538723048 517748962 /nfs/dbraw/zinc/74/89/62/517748962.db2.gz HXZDLVLVFZNOJM-RXVVDRJESA-N 1 3 357.542 2.933 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000538723048 517748973 /nfs/dbraw/zinc/74/89/73/517748973.db2.gz HXZDLVLVFZNOJM-RXVVDRJESA-N 1 3 357.542 2.933 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)s2)cn1 ZINC000556964191 517777848 /nfs/dbraw/zinc/77/78/48/517777848.db2.gz KOLWUPGGMVHZQM-WMZOPIPTSA-N 1 3 360.527 2.867 20 0 FFADHO CC(C)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)c(F)c1 ZINC000542845606 517778454 /nfs/dbraw/zinc/77/84/54/517778454.db2.gz BDJIUQJTIDUQCR-FQEVSTJZSA-N 1 3 369.500 2.642 20 0 FFADHO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000557051643 517825960 /nfs/dbraw/zinc/82/59/60/517825960.db2.gz KPENSQAWUBNDSO-UHFFFAOYSA-N 1 3 360.502 2.898 20 0 FFADHO COc1cc2c(cc1CN1CCC(C[NH+]3CCOCC3)CC1)O[C@H](C)C2 ZINC000534332281 517854884 /nfs/dbraw/zinc/85/48/84/517854884.db2.gz VAEFCEPCYUGBTG-MRXNPFEDSA-N 1 3 360.498 2.563 20 0 FFADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000560545175 517885903 /nfs/dbraw/zinc/88/59/03/517885903.db2.gz OBFSPCIRJHOUIZ-HKBOAZHASA-N 1 3 370.541 2.669 20 0 FFADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000560545175 517885914 /nfs/dbraw/zinc/88/59/14/517885914.db2.gz OBFSPCIRJHOUIZ-HKBOAZHASA-N 1 3 370.541 2.669 20 0 FFADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(-n2ccnc2)cc1 ZINC000539062796 517900148 /nfs/dbraw/zinc/90/01/48/517900148.db2.gz DUJHXVTWOISRJJ-ZLGUVYLKSA-N 1 3 354.498 2.901 20 0 FFADHO COc1cc2c(cc1CNCC1(SC)CC[NH+](C)CC1)O[C@H](C)C2 ZINC000517000227 517967538 /nfs/dbraw/zinc/96/75/38/517967538.db2.gz WIYNGXZHQQUNPP-CQSZACIVSA-N 1 3 350.528 2.936 20 0 FFADHO Cc1nn(-c2ccncc2)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000543232542 517980818 /nfs/dbraw/zinc/98/08/18/517980818.db2.gz MQRKPQBAVNIWLP-IAGOWNOFSA-N 1 3 357.502 2.555 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553946667 517985701 /nfs/dbraw/zinc/98/57/01/517985701.db2.gz KXEKAXCEOHVGEM-KNQAVFIVSA-N 1 3 368.525 2.531 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553946667 517985708 /nfs/dbraw/zinc/98/57/08/517985708.db2.gz KXEKAXCEOHVGEM-KNQAVFIVSA-N 1 3 368.525 2.531 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CCCO1 ZINC000527957704 518012236 /nfs/dbraw/zinc/01/22/36/518012236.db2.gz SAYWAPDTVKOTGV-YHINDDMVSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCC(C)CC1 ZINC000522180334 518018407 /nfs/dbraw/zinc/01/84/07/518018407.db2.gz GSMQUQIKYIJFCU-UYAOXDASSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCC(C)CC1 ZINC000522180331 518019917 /nfs/dbraw/zinc/01/99/17/518019917.db2.gz GSMQUQIKYIJFCU-AZUAARDMSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000517140976 518039093 /nfs/dbraw/zinc/03/90/93/518039093.db2.gz YGCHEFFNHHFJEU-OXQOHEQNSA-N 1 3 352.482 2.780 20 0 FFADHO CC1=CCN(CC[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)CC1 ZINC000547271731 518047312 /nfs/dbraw/zinc/04/73/12/518047312.db2.gz WXIXQWJIWOXQQZ-UHFFFAOYSA-N 1 3 362.949 2.833 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557524140 518053667 /nfs/dbraw/zinc/05/36/67/518053667.db2.gz DWACBQHQWFTCNE-RRFJBIMHSA-N 1 3 363.468 2.743 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557524140 518053678 /nfs/dbraw/zinc/05/36/78/518053678.db2.gz DWACBQHQWFTCNE-RRFJBIMHSA-N 1 3 363.468 2.743 20 0 FFADHO CN1CC=C(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000539461866 518060936 /nfs/dbraw/zinc/06/09/36/518060936.db2.gz SSGNEZIAZKPTBK-UHFFFAOYSA-N 1 3 356.514 2.734 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000560877122 518069079 /nfs/dbraw/zinc/06/90/79/518069079.db2.gz OGUCXILTQYPKJC-HDICACEKSA-N 1 3 361.530 2.725 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000560877122 518069090 /nfs/dbraw/zinc/06/90/90/518069090.db2.gz OGUCXILTQYPKJC-HDICACEKSA-N 1 3 361.530 2.725 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1scnc1C1CC1 ZINC000534985479 518107174 /nfs/dbraw/zinc/10/71/74/518107174.db2.gz LEWNGJCNSYTXBR-HNNXBMFYSA-N 1 3 365.547 2.900 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1scnc1C1CC1 ZINC000534985479 518107179 /nfs/dbraw/zinc/10/71/79/518107179.db2.gz LEWNGJCNSYTXBR-HNNXBMFYSA-N 1 3 365.547 2.900 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528148101 518119965 /nfs/dbraw/zinc/11/99/65/518119965.db2.gz GKOUCXAQLNBABD-PKOBYXMFSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528148101 518119971 /nfs/dbraw/zinc/11/99/71/518119971.db2.gz GKOUCXAQLNBABD-PKOBYXMFSA-N 1 3 350.551 2.813 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)o1 ZINC000517423002 518145450 /nfs/dbraw/zinc/14/54/50/518145450.db2.gz OUPIJVROIRFUBF-IRXDYDNUSA-N 1 3 364.534 2.924 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000535258299 518170839 /nfs/dbraw/zinc/17/08/39/518170839.db2.gz OOJUCXXVUSBTKA-IBGZPJMESA-N 1 3 360.546 2.721 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000563882620 518212797 /nfs/dbraw/zinc/21/27/97/518212797.db2.gz CGVRKRGFLBWVBS-AQNXPRMDSA-N 1 3 373.566 2.595 20 0 FFADHO O=C(C[C@@H]1CSCCN1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000563882620 518212804 /nfs/dbraw/zinc/21/28/04/518212804.db2.gz CGVRKRGFLBWVBS-AQNXPRMDSA-N 1 3 373.566 2.595 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(OC)c3O)CC2)CC1 ZINC000567060164 518332701 /nfs/dbraw/zinc/33/27/01/518332701.db2.gz QBTVCQUDPPERHP-UHFFFAOYSA-N 1 3 361.486 2.536 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 ZINC000567222134 518413230 /nfs/dbraw/zinc/41/32/30/518413230.db2.gz MGFREIGZNBBADU-HNNXBMFYSA-N 1 3 364.559 2.729 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC([C@H]3CC[NH2+]C3)CC2)C2CC2)cc1 ZINC000570045782 518417338 /nfs/dbraw/zinc/41/73/38/518417338.db2.gz NPKSJIXFASFLSV-IBGZPJMESA-N 1 3 371.525 2.508 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H](SC)C3)CC2)CC1 ZINC000578897000 518427792 /nfs/dbraw/zinc/42/77/92/518427792.db2.gz KRNPMSMRDLLHGP-IEBWSBKVSA-N 1 3 367.603 2.973 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H](SC)C3)CC2)CC1 ZINC000578896999 518428130 /nfs/dbraw/zinc/42/81/30/518428130.db2.gz KRNPMSMRDLLHGP-HKUYNNGSSA-N 1 3 367.603 2.973 20 0 FFADHO COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1OC ZINC000567270483 518441179 /nfs/dbraw/zinc/44/11/79/518441179.db2.gz ANCYFJVGVLDJBB-BETUJISGSA-N 1 3 369.303 2.898 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)Cc1cccc(Cl)c1 ZINC000584715060 518443809 /nfs/dbraw/zinc/44/38/09/518443809.db2.gz CZOAQAQBKSCAKP-IBGZPJMESA-N 1 3 362.901 2.974 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000564422145 518445188 /nfs/dbraw/zinc/44/51/88/518445188.db2.gz SATLSXWUXUPZLQ-CRAIPNDOSA-N 1 3 364.559 2.652 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000564422145 518445193 /nfs/dbraw/zinc/44/51/93/518445193.db2.gz SATLSXWUXUPZLQ-CRAIPNDOSA-N 1 3 364.559 2.652 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cc(F)ccc43)CC2)CC1 ZINC000567290107 518449071 /nfs/dbraw/zinc/44/90/71/518449071.db2.gz WHCQLOLSBJYYLW-UHFFFAOYSA-N 1 3 359.489 2.911 20 0 FFADHO C[N@H+](Cc1ccccc1CNC[C@@H](O)Cn1cccn1)C1CCCCC1 ZINC000564445140 518454680 /nfs/dbraw/zinc/45/46/80/518454680.db2.gz ZJYLALDIHOLACU-OAQYLSRUSA-N 1 3 356.514 2.798 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC[C@@H](O)Cn1cccn1)C1CCCCC1 ZINC000564445140 518454688 /nfs/dbraw/zinc/45/46/88/518454688.db2.gz ZJYLALDIHOLACU-OAQYLSRUSA-N 1 3 356.514 2.798 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000567356942 518483332 /nfs/dbraw/zinc/48/33/32/518483332.db2.gz FIJKHLJNUWXNSH-GOSISDBHSA-N 1 3 360.502 2.767 20 0 FFADHO CC(C)n1c2ccccc2nc1[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000576230693 518493016 /nfs/dbraw/zinc/49/30/16/518493016.db2.gz LADWLPMVEMWCLA-SFHVURJKSA-N 1 3 355.530 2.702 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000564545125 518496105 /nfs/dbraw/zinc/49/61/05/518496105.db2.gz MNEQJSVUGPNVRZ-KRWDZBQOSA-N 1 3 371.529 2.570 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000564545125 518496111 /nfs/dbraw/zinc/49/61/11/518496111.db2.gz MNEQJSVUGPNVRZ-KRWDZBQOSA-N 1 3 371.529 2.570 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000567392120 518501891 /nfs/dbraw/zinc/50/18/91/518501891.db2.gz FNXXUWJYHQJRTF-DIECFANBSA-N 1 3 369.431 2.942 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000564566924 518507002 /nfs/dbraw/zinc/50/70/02/518507002.db2.gz IJPASZJNAMORCK-WOJBJXKFSA-N 1 3 352.482 2.517 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000581941211 518513539 /nfs/dbraw/zinc/51/35/39/518513539.db2.gz WCGMRHFNPBQNCL-FQEVSTJZSA-N 1 3 369.509 2.969 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000573249857 518575800 /nfs/dbraw/zinc/57/58/00/518575800.db2.gz JQWXFKGJNKANNW-VABKMULXSA-N 1 3 368.521 2.679 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000573249857 518575805 /nfs/dbraw/zinc/57/58/05/518575805.db2.gz JQWXFKGJNKANNW-VABKMULXSA-N 1 3 368.521 2.679 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000573249857 518575811 /nfs/dbraw/zinc/57/58/11/518575811.db2.gz JQWXFKGJNKANNW-VABKMULXSA-N 1 3 368.521 2.679 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N1CCc2ccccc2C1 ZINC000576512552 518628606 /nfs/dbraw/zinc/62/86/06/518628606.db2.gz BQBFZKRUNVCVMB-XLIONFOSSA-N 1 3 360.546 2.851 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N1CCc2ccccc2C1 ZINC000576512552 518628613 /nfs/dbraw/zinc/62/86/13/518628613.db2.gz BQBFZKRUNVCVMB-XLIONFOSSA-N 1 3 360.546 2.851 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000586756899 518628922 /nfs/dbraw/zinc/62/89/22/518628922.db2.gz XCHDDZVNVCXJHY-UHFFFAOYSA-N 1 3 357.502 2.929 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000586756899 518628931 /nfs/dbraw/zinc/62/89/31/518628931.db2.gz XCHDDZVNVCXJHY-UHFFFAOYSA-N 1 3 357.502 2.929 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)[C@H]3CCCNC3)CC2)cc1 ZINC000564823350 518635264 /nfs/dbraw/zinc/63/52/64/518635264.db2.gz LRGQWCDRIUGQJZ-LPHOPBHVSA-N 1 3 358.530 2.587 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000564848064 518650655 /nfs/dbraw/zinc/65/06/55/518650655.db2.gz CKBNMVWIRYYJSN-XHSDSOJGSA-N 1 3 371.319 2.651 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000582232110 518651479 /nfs/dbraw/zinc/65/14/79/518651479.db2.gz HRGKWDDCEKJFKV-DZFGPLHGSA-N 1 3 373.541 2.560 20 0 FFADHO C[N@H+](CCCNC(=O)N1CCc2ccccc2[C@@H]1CN)C1CCCCC1 ZINC000576581855 518662815 /nfs/dbraw/zinc/66/28/15/518662815.db2.gz MYEAVTMKMWREQY-FQEVSTJZSA-N 1 3 358.530 2.909 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CCc2ccccc2[C@@H]1CN)C1CCCCC1 ZINC000576581855 518662816 /nfs/dbraw/zinc/66/28/16/518662816.db2.gz MYEAVTMKMWREQY-FQEVSTJZSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567820385 518730033 /nfs/dbraw/zinc/73/00/33/518730033.db2.gz JPTKKWBTXXSQNR-YLJYHZDGSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567820385 518730038 /nfs/dbraw/zinc/73/00/38/518730038.db2.gz JPTKKWBTXXSQNR-YLJYHZDGSA-N 1 3 358.530 2.766 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)N(C)C)cc1 ZINC000573570647 518732900 /nfs/dbraw/zinc/73/29/00/518732900.db2.gz JUGQRMZGEAFPJX-GOSISDBHSA-N 1 3 364.559 2.782 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC(CC[NH3+])CC2)N(C)C)cc1 ZINC000573570648 518733087 /nfs/dbraw/zinc/73/30/87/518733087.db2.gz JUGQRMZGEAFPJX-SFHVURJKSA-N 1 3 364.559 2.782 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000582409947 518740958 /nfs/dbraw/zinc/74/09/58/518740958.db2.gz KVHYLBUSFOTWDU-HOJAQTOUSA-N 1 3 372.557 2.974 20 0 FFADHO OC1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000570717758 518747096 /nfs/dbraw/zinc/74/70/96/518747096.db2.gz BQTCHACIZXPQCU-HXUWFJFHSA-N 1 3 357.542 2.620 20 0 FFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000582486431 518777824 /nfs/dbraw/zinc/77/78/24/518777824.db2.gz JUPSEGDZWYPWFY-UXHICEINSA-N 1 3 355.457 2.844 20 0 FFADHO O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000582540662 518803865 /nfs/dbraw/zinc/80/38/65/518803865.db2.gz OSKHWWSWBVYMBP-YTQUADARSA-N 1 3 357.498 2.507 20 0 FFADHO C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1Cc1ccccc1 ZINC000576870863 518804637 /nfs/dbraw/zinc/80/46/37/518804637.db2.gz DKWPLMSNZFHPGA-LLMJNHHCSA-N 1 3 355.526 2.936 20 0 FFADHO Cn1c2ccccc2cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000573739680 518811321 /nfs/dbraw/zinc/81/13/21/518811321.db2.gz BNSZQZRKESKSIY-UTKZUKDTSA-N 1 3 351.494 2.987 20 0 FFADHO Cn1c2ccccc2cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000573739680 518811325 /nfs/dbraw/zinc/81/13/25/518811325.db2.gz BNSZQZRKESKSIY-UTKZUKDTSA-N 1 3 351.494 2.987 20 0 FFADHO Cn1c2ccccc2cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000573739678 518811690 /nfs/dbraw/zinc/81/16/90/518811690.db2.gz BNSZQZRKESKSIY-LAUBAEHRSA-N 1 3 351.494 2.987 20 0 FFADHO Cn1c2ccccc2cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000573739678 518811696 /nfs/dbraw/zinc/81/16/96/518811696.db2.gz BNSZQZRKESKSIY-LAUBAEHRSA-N 1 3 351.494 2.987 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)CN3CCOCC3)C2)s1 ZINC000567994536 518820592 /nfs/dbraw/zinc/82/05/92/518820592.db2.gz OWMALSXSYRQYII-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)CN3CCOCC3)C2)s1 ZINC000567994536 518820598 /nfs/dbraw/zinc/82/05/98/518820598.db2.gz OWMALSXSYRQYII-FUHWJXTLSA-N 1 3 351.560 2.531 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccn(-c2ccccc2)n1 ZINC000573763125 518822869 /nfs/dbraw/zinc/82/28/69/518822869.db2.gz HMIWDYOGJAXBOA-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccn(-c2ccccc2)n1 ZINC000573763125 518822875 /nfs/dbraw/zinc/82/28/75/518822875.db2.gz HMIWDYOGJAXBOA-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000568008663 518828639 /nfs/dbraw/zinc/82/86/39/518828639.db2.gz GTJCKXJBCHGRKO-NRFANRHFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000576967949 518853159 /nfs/dbraw/zinc/85/31/59/518853159.db2.gz HRWUYOSCXOWRPK-GIVPXCGWSA-N 1 3 358.526 2.930 20 0 FFADHO O=C(CCNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1ccc(Cl)cc1 ZINC000579827111 518874659 /nfs/dbraw/zinc/87/46/59/518874659.db2.gz GXTIMLBSLZHPRF-ROUUACIJSA-N 1 3 365.905 2.636 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@](C)(OC)C3CC3)CC2)CC1 ZINC000577077162 518905033 /nfs/dbraw/zinc/90/50/33/518905033.db2.gz XUHBWEXYPCUQFP-IERDGZPVSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000582804977 518931423 /nfs/dbraw/zinc/93/14/23/518931423.db2.gz BAVZWHLIQFSSPY-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000582804977 518931428 /nfs/dbraw/zinc/93/14/28/518931428.db2.gz BAVZWHLIQFSSPY-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCN(CCCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000574017512 518947738 /nfs/dbraw/zinc/94/77/38/518947738.db2.gz IYVASZDSCKRVKJ-RXVVDRJESA-N 1 3 363.521 2.911 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000565452267 518960875 /nfs/dbraw/zinc/96/08/75/518960875.db2.gz ZBRGSYVKTCIQAY-FQEVSTJZSA-N 1 3 355.530 2.925 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000565452267 518960883 /nfs/dbraw/zinc/96/08/83/518960883.db2.gz ZBRGSYVKTCIQAY-FQEVSTJZSA-N 1 3 355.530 2.925 20 0 FFADHO Cc1cc(C)n(-c2ccc(C[N@@H+](C)CCCN(C)CCN(C)C)cc2)n1 ZINC000568321992 518978410 /nfs/dbraw/zinc/97/84/10/518978410.db2.gz KJSCIBUIOZJPBD-UHFFFAOYSA-N 1 3 357.546 2.804 20 0 FFADHO Cc1cc(C)n(-c2ccc(C[N@H+](C)CCCN(C)CCN(C)C)cc2)n1 ZINC000568321992 518978415 /nfs/dbraw/zinc/97/84/15/518978415.db2.gz KJSCIBUIOZJPBD-UHFFFAOYSA-N 1 3 357.546 2.804 20 0 FFADHO COc1cccc2c1CCC[C@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000568351112 518993439 /nfs/dbraw/zinc/99/34/39/518993439.db2.gz PXFVUCNXWSMUPK-LJQANCHMSA-N 1 3 359.514 2.605 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3cccc(CN(C)C)c3)c2cc1C ZINC000568382137 519013206 /nfs/dbraw/zinc/01/32/06/519013206.db2.gz PTUDIIJXPMQDJY-HXUWFJFHSA-N 1 3 366.509 2.865 20 0 FFADHO O=C1CCCN1CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000582970067 519013681 /nfs/dbraw/zinc/01/36/81/519013681.db2.gz LAZATUFGDYCWNG-PCCBWWKXSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CCCN1CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000582970067 519013690 /nfs/dbraw/zinc/01/36/90/519013690.db2.gz LAZATUFGDYCWNG-PCCBWWKXSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CCCN1CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000582970067 519013696 /nfs/dbraw/zinc/01/36/96/519013696.db2.gz LAZATUFGDYCWNG-PCCBWWKXSA-N 1 3 355.526 2.889 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000565647808 519062453 /nfs/dbraw/zinc/06/24/53/519062453.db2.gz XJQHFHNWACNRBH-MISYRCLQSA-N 1 3 358.530 2.813 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589772587 519078391 /nfs/dbraw/zinc/07/83/91/519078391.db2.gz VDIUVCCEHGBTEP-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589772587 519078396 /nfs/dbraw/zinc/07/83/96/519078396.db2.gz VDIUVCCEHGBTEP-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000577473972 519097948 /nfs/dbraw/zinc/09/79/48/519097948.db2.gz HOFWQUYNJQGISZ-RQSWOZRGSA-N 1 3 370.541 2.666 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)Cc2ccccc2C(F)(F)F)CCCO1 ZINC000565770343 519124364 /nfs/dbraw/zinc/12/43/64/519124364.db2.gz PNTQZCUQMVDYAU-WBVHZDCISA-N 1 3 374.447 2.699 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)Cc2ccccc2C(F)(F)F)CCCO1 ZINC000565770343 519124366 /nfs/dbraw/zinc/12/43/66/519124366.db2.gz PNTQZCUQMVDYAU-WBVHZDCISA-N 1 3 374.447 2.699 20 0 FFADHO CN1CC[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000568608510 519126565 /nfs/dbraw/zinc/12/65/65/519126565.db2.gz CCPACQGBFSMXKW-DOIPELPJSA-N 1 3 364.493 2.568 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C[C@@H]21 ZINC000580445811 519181080 /nfs/dbraw/zinc/18/10/80/519181080.db2.gz GPNCWXWLEAWZOL-CXUGXGMPSA-N 1 3 367.415 2.870 20 0 FFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000568728317 519185190 /nfs/dbraw/zinc/18/51/90/519185190.db2.gz OZLYMXDMCOEEKB-ROUUACIJSA-N 1 3 358.511 2.923 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN(Cc2ccccc2)C1 ZINC000571689839 519222837 /nfs/dbraw/zinc/22/28/37/519222837.db2.gz TYFYQFXVMXJOQB-ZVDOUQERSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN(Cc2ccccc2)C1 ZINC000571689839 519222845 /nfs/dbraw/zinc/22/28/45/519222845.db2.gz TYFYQFXVMXJOQB-ZVDOUQERSA-N 1 3 356.514 2.577 20 0 FFADHO CCOc1ncccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000583390349 519224204 /nfs/dbraw/zinc/22/42/04/519224204.db2.gz OBJARKJMKMATAC-UHFFFAOYSA-N 1 3 360.502 2.615 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccnn1-c1ccccc1 ZINC000583408597 519230516 /nfs/dbraw/zinc/23/05/16/519230516.db2.gz FEZWTJVIARUXTA-HXUWFJFHSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccnn1-c1ccccc1 ZINC000583408597 519230524 /nfs/dbraw/zinc/23/05/24/519230524.db2.gz FEZWTJVIARUXTA-HXUWFJFHSA-N 1 3 355.530 2.720 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577749797 519237848 /nfs/dbraw/zinc/23/78/48/519237848.db2.gz UEXLYYSGKXUKGK-XUVXKRRUSA-N 1 3 373.516 2.886 20 0 FFADHO C[C@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000574635512 519253726 /nfs/dbraw/zinc/25/37/26/519253726.db2.gz NMPJBMUGGGUENC-XXBNENTESA-N 1 3 369.553 2.932 20 0 FFADHO C[C@H](Oc1cccc2ccccc21)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580685376 519300111 /nfs/dbraw/zinc/30/01/11/519300111.db2.gz OYTYKKQCKMIAEJ-KRWDZBQOSA-N 1 3 357.498 2.559 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C[C@H]1C[NH3+] ZINC000580704065 519311868 /nfs/dbraw/zinc/31/18/68/519311868.db2.gz CVYBENXPINLMQJ-HPFXQQBRSA-N 1 3 364.559 2.757 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 ZINC000571890204 519330888 /nfs/dbraw/zinc/33/08/88/519330888.db2.gz AHUZVSJLYXYAHP-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000577950401 519337175 /nfs/dbraw/zinc/33/71/75/519337175.db2.gz GSKWMRASPKXBBL-NRFANRHFSA-N 1 3 367.493 2.520 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000580763255 519346315 /nfs/dbraw/zinc/34/63/15/519346315.db2.gz GLSQCWISJTUDSI-XKGZKEIXSA-N 1 3 358.530 2.511 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566190731 519361952 /nfs/dbraw/zinc/36/19/52/519361952.db2.gz IHIDHBAIIIXPHH-YWZLYKJASA-N 1 3 370.472 2.605 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000569085572 519368246 /nfs/dbraw/zinc/36/82/46/519368246.db2.gz NNKCUXWRGKAMAP-KCYZZUKISA-N 1 3 350.532 2.510 20 0 FFADHO CC(C)C[C@H](CNC(=O)C[C@@H]1CSCCN1)[NH2+][C@@H](C)c1ccccc1 ZINC000572033492 519409757 /nfs/dbraw/zinc/40/97/57/519409757.db2.gz KAVJLSMNSZSTOX-QXAKKESOSA-N 1 3 363.571 2.963 20 0 FFADHO CN1CCN(c2ccncc2NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000566296317 519420534 /nfs/dbraw/zinc/42/05/34/519420534.db2.gz FNOMRRMMAMXUIL-SFHVURJKSA-N 1 3 373.545 2.850 20 0 FFADHO COCCN(C)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000566369786 519457682 /nfs/dbraw/zinc/45/76/82/519457682.db2.gz WNQYEWZXKXPGRZ-YPAWHYETSA-N 1 3 359.558 2.845 20 0 FFADHO COCCN(C)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000566369786 519457689 /nfs/dbraw/zinc/45/76/89/519457689.db2.gz WNQYEWZXKXPGRZ-YPAWHYETSA-N 1 3 359.558 2.845 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCc3ccc(C[NH3+])cc3)c2)CC1 ZINC000583872326 519477045 /nfs/dbraw/zinc/47/70/45/519477045.db2.gz ZNJMYHWEUOBCES-UHFFFAOYSA-N 1 3 367.497 2.609 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC[C@@H](O)Cn3cccn3)cc2)C1 ZINC000581059180 519501600 /nfs/dbraw/zinc/50/16/00/519501600.db2.gz PCYKJEAIFWBPEU-DBXWQHBBSA-N 1 3 356.514 2.512 20 0 FFADHO Brc1ccc(C2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000569364060 519513351 /nfs/dbraw/zinc/51/33/51/519513351.db2.gz YVIWXQJDDXHGGW-UHFFFAOYSA-N 1 3 352.320 2.534 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3cc(F)ccc3C2)[C@@H](C)C1 ZINC000566500038 519522297 /nfs/dbraw/zinc/52/22/97/519522297.db2.gz DARUHHNNXLOWPA-IPELMVKDSA-N 1 3 350.478 2.856 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3cc(F)ccc3C2)[C@@H](C)C1 ZINC000566500038 519522305 /nfs/dbraw/zinc/52/23/05/519522305.db2.gz DARUHHNNXLOWPA-IPELMVKDSA-N 1 3 350.478 2.856 20 0 FFADHO Cc1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000584090640 519584379 /nfs/dbraw/zinc/58/43/79/519584379.db2.gz WZYSMWYGZLMISW-UHFFFAOYSA-N 1 3 374.533 2.597 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566725810 519624427 /nfs/dbraw/zinc/62/44/27/519624427.db2.gz IMGZSIQNRDAQQF-IRXDYDNUSA-N 1 3 360.502 2.610 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCN1C ZINC000591443121 519626366 /nfs/dbraw/zinc/62/63/66/519626366.db2.gz HFLXIABTELDWMG-QZTJIDSGSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCN1C ZINC000591443121 519626370 /nfs/dbraw/zinc/62/63/70/519626370.db2.gz HFLXIABTELDWMG-QZTJIDSGSA-N 1 3 359.514 2.764 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000591563918 519951843 /nfs/dbraw/zinc/95/18/43/519951843.db2.gz ZQZWAXPLVBZEFC-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[NH+]1CCCC1 ZINC000591569666 519953181 /nfs/dbraw/zinc/95/31/81/519953181.db2.gz KZQGSWXTSBNFJR-VQTJNVASSA-N 1 3 360.546 2.579 20 0 FFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000616714967 520101741 /nfs/dbraw/zinc/10/17/41/520101741.db2.gz GSTHSBYSXCZRAA-NJYVYQBISA-N 1 3 355.526 2.999 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]1C ZINC000594969585 520234808 /nfs/dbraw/zinc/23/48/08/520234808.db2.gz QSWARWCMMILOQN-UXPWSPDFSA-N 1 3 359.514 2.861 20 0 FFADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)n(C)c1C ZINC000592376514 520357751 /nfs/dbraw/zinc/35/77/51/520357751.db2.gz WQHUQKNGYDZMEF-XLIONFOSSA-N 1 3 355.482 2.555 20 0 FFADHO C[C@@H](C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1)CN1CCCCC1 ZINC000600721650 520422030 /nfs/dbraw/zinc/42/20/30/520422030.db2.gz VLSRKHIOTLCUGY-XPQZIERPSA-N 1 3 368.562 2.961 20 0 FFADHO C[C@@H](CNCC1(O)CCC(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000600721650 520422040 /nfs/dbraw/zinc/42/20/40/520422040.db2.gz VLSRKHIOTLCUGY-XPQZIERPSA-N 1 3 368.562 2.961 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1OCCc2ccccc21 ZINC000604322302 520520455 /nfs/dbraw/zinc/52/04/55/520520455.db2.gz YJWRJKXWDDZDQI-TZIWHRDSSA-N 1 3 373.541 2.565 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1OCCc2ccccc21 ZINC000604322302 520520460 /nfs/dbraw/zinc/52/04/60/520520460.db2.gz YJWRJKXWDDZDQI-TZIWHRDSSA-N 1 3 373.541 2.565 20 0 FFADHO COc1ccc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)nc2c1 ZINC000617504190 520538481 /nfs/dbraw/zinc/53/84/81/520538481.db2.gz KCCOYGIQSSAFNJ-HNNXBMFYSA-N 1 3 372.513 2.554 20 0 FFADHO COc1ccc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)nc2c1 ZINC000617504190 520538491 /nfs/dbraw/zinc/53/84/91/520538491.db2.gz KCCOYGIQSSAFNJ-HNNXBMFYSA-N 1 3 372.513 2.554 20 0 FFADHO Cc1ccc2c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)coc2c1C ZINC000617503787 520538678 /nfs/dbraw/zinc/53/86/78/520538678.db2.gz ZHKRHXJVEGBLMO-INIZCTEOSA-N 1 3 359.514 2.980 20 0 FFADHO Cc1ccc2c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)coc2c1C ZINC000617503787 520538684 /nfs/dbraw/zinc/53/86/84/520538684.db2.gz ZHKRHXJVEGBLMO-INIZCTEOSA-N 1 3 359.514 2.980 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000617503763 520539378 /nfs/dbraw/zinc/53/93/78/520539378.db2.gz YELJPRZAOCEIOA-USXIJHARSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000617503763 520539380 /nfs/dbraw/zinc/53/93/80/520539380.db2.gz YELJPRZAOCEIOA-USXIJHARSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)s1 ZINC000617507800 520544405 /nfs/dbraw/zinc/54/44/05/520544405.db2.gz JQIJVEZSCNDYPT-NSHDSACASA-N 1 3 351.438 2.769 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)s1 ZINC000617507800 520544412 /nfs/dbraw/zinc/54/44/12/520544412.db2.gz JQIJVEZSCNDYPT-NSHDSACASA-N 1 3 351.438 2.769 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(F)c1Br ZINC000617507836 520545883 /nfs/dbraw/zinc/54/58/83/520545883.db2.gz KYBFPADJRCWJLZ-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(F)c1Br ZINC000617507836 520545876 /nfs/dbraw/zinc/54/58/76/520545876.db2.gz KYBFPADJRCWJLZ-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000601248795 520706278 /nfs/dbraw/zinc/70/62/78/520706278.db2.gz SHJWIXWGFSAOLN-ZHALLVOQSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000601270727 520716337 /nfs/dbraw/zinc/71/63/37/520716337.db2.gz CJGRPQHJWPLLNN-DFQSSKMNSA-N 1 3 358.530 2.994 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000601341136 520749541 /nfs/dbraw/zinc/74/95/41/520749541.db2.gz CKSBXNNMPMCZNX-WMZOPIPTSA-N 1 3 350.551 2.671 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000601341136 520749543 /nfs/dbraw/zinc/74/95/43/520749543.db2.gz CKSBXNNMPMCZNX-WMZOPIPTSA-N 1 3 350.551 2.671 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000605989059 520987797 /nfs/dbraw/zinc/98/77/97/520987797.db2.gz WUOAZKYTUKUJGH-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO COC(=O)[C@@H]1CC12CCN(Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000611272098 521070583 /nfs/dbraw/zinc/07/05/83/521070583.db2.gz VUJOKOXSITXCKB-FQEVSTJZSA-N 1 3 372.509 2.936 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000606644306 521122616 /nfs/dbraw/zinc/12/26/16/521122616.db2.gz GFPDWFYNHWIJHE-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000606644306 521122618 /nfs/dbraw/zinc/12/26/18/521122618.db2.gz GFPDWFYNHWIJHE-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000606701551 521142753 /nfs/dbraw/zinc/14/27/53/521142753.db2.gz FOKXREXXXZOLMO-INIZCTEOSA-N 1 3 364.509 2.629 20 0 FFADHO Ic1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000596655290 521193332 /nfs/dbraw/zinc/19/33/32/521193332.db2.gz UESALOKHURFDSC-YIONKMFJSA-N 1 3 356.251 2.706 20 0 FFADHO CC(C)C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccs1 ZINC000607235314 521302878 /nfs/dbraw/zinc/30/28/78/521302878.db2.gz VJIKJECAPFBXNZ-INIZCTEOSA-N 1 3 354.564 2.970 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN(C2CC2)C1 ZINC000615447446 521407638 /nfs/dbraw/zinc/40/76/38/521407638.db2.gz JURRDRMCDHWOKQ-RXVVDRJESA-N 1 3 355.526 2.809 20 0 FFADHO OCC[C@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](CCO)C3)c2)C1 ZINC000607733299 521446312 /nfs/dbraw/zinc/44/63/12/521446312.db2.gz PSBDRNZGSVSNDQ-WOJBJXKFSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](CCO)C3)c2)C1 ZINC000607733299 521446323 /nfs/dbraw/zinc/44/63/23/521446323.db2.gz PSBDRNZGSVSNDQ-WOJBJXKFSA-N 1 3 360.542 2.875 20 0 FFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ncc(Br)s1 ZINC000635009725 521865714 /nfs/dbraw/zinc/86/57/14/521865714.db2.gz OHUIHFXJCUXIDP-JTQLQIEISA-N 1 3 368.304 2.883 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635014015 521868363 /nfs/dbraw/zinc/86/83/63/521868363.db2.gz XQLLRCIONFIPSR-JXXFODFXSA-N 1 3 360.523 2.742 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040669 521875217 /nfs/dbraw/zinc/87/52/17/521875217.db2.gz KDCFYPCNHPHMIF-QRTARXTBSA-N 1 3 355.320 2.940 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040669 521875233 /nfs/dbraw/zinc/87/52/33/521875233.db2.gz KDCFYPCNHPHMIF-QRTARXTBSA-N 1 3 355.320 2.940 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623357055 521960268 /nfs/dbraw/zinc/96/02/68/521960268.db2.gz YBDSMZZYCZKJMP-UHFFFAOYSA-N 1 3 369.351 2.660 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3ccsc3Br)C2)CC1 ZINC000623416331 522005491 /nfs/dbraw/zinc/00/54/91/522005491.db2.gz RCWOCRPKLBMZTP-ZDUSSCGKSA-N 1 3 358.349 2.769 20 0 FFADHO CN1CCC([N@@H+]2CC[C@H](NCc3ccsc3Br)C2)CC1 ZINC000623416331 522005499 /nfs/dbraw/zinc/00/54/99/522005499.db2.gz RCWOCRPKLBMZTP-ZDUSSCGKSA-N 1 3 358.349 2.769 20 0 FFADHO CN1CCC([N@H+]2CC[C@H](NCc3ccsc3Br)C2)CC1 ZINC000623416331 522005510 /nfs/dbraw/zinc/00/55/10/522005510.db2.gz RCWOCRPKLBMZTP-ZDUSSCGKSA-N 1 3 358.349 2.769 20 0 FFADHO C/C=C\C[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000623564442 522124782 /nfs/dbraw/zinc/12/47/82/522124782.db2.gz CRVLYLUSZCZCOQ-JXCVUKRWSA-N 1 3 362.562 2.933 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623837293 522317305 /nfs/dbraw/zinc/31/73/05/522317305.db2.gz VIHJEMZCAKDXHC-AZUAARDMSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623837293 522317314 /nfs/dbraw/zinc/31/73/14/522317314.db2.gz VIHJEMZCAKDXHC-AZUAARDMSA-N 1 3 358.530 2.674 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3C(C)(C)C)CC2)CC1 ZINC000620619198 522318960 /nfs/dbraw/zinc/31/89/60/522318960.db2.gz BQHHPNDCHSVZBJ-UHFFFAOYSA-N 1 3 361.534 2.773 20 0 FFADHO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)CN1CCCC1 ZINC000629574041 522326543 /nfs/dbraw/zinc/32/65/43/522326543.db2.gz GCEDWOIPEQAYEU-CABCVRRESA-N 1 3 358.313 2.618 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CCCCO1 ZINC000623915531 522364315 /nfs/dbraw/zinc/36/43/15/522364315.db2.gz ISYVOLZOTBZRJC-FXAWDEMLSA-N 1 3 359.514 2.559 20 0 FFADHO CN(CCOCC[NH3+])Cc1ccc(Br)c(Br)c1 ZINC000629663272 522382295 /nfs/dbraw/zinc/38/22/95/522382295.db2.gz LPWJIBGGYPWJDT-UHFFFAOYSA-N 1 3 366.097 2.619 20 0 FFADHO CCC(=O)c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000626733506 522407485 /nfs/dbraw/zinc/40/74/85/522407485.db2.gz ZICXRIHTJCWQEW-UHFFFAOYSA-N 1 3 372.513 2.959 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000620825360 522473250 /nfs/dbraw/zinc/47/32/50/522473250.db2.gz FLYOOSWGEJFXQQ-TZIWHRDSSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000620825360 522473252 /nfs/dbraw/zinc/47/32/52/522473252.db2.gz FLYOOSWGEJFXQQ-TZIWHRDSSA-N 1 3 372.557 2.930 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624120763 522490200 /nfs/dbraw/zinc/49/02/00/522490200.db2.gz GKTLEAKKORBICF-HOTGVXAUSA-N 1 3 353.532 2.831 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000626926805 522534875 /nfs/dbraw/zinc/53/48/75/522534875.db2.gz OONUBNFWWJVTKF-OTWHNJEPSA-N 1 3 362.518 2.518 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1cccc(OC)c1 ZINC000626927430 522534902 /nfs/dbraw/zinc/53/49/02/522534902.db2.gz ZQVVXKTXFILDMC-VDZJLULYSA-N 1 3 362.518 2.518 20 0 FFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000629974461 522560081 /nfs/dbraw/zinc/56/00/81/522560081.db2.gz ZEVPIANFSRWECZ-FPOVZHCZSA-N 1 3 355.526 2.984 20 0 FFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000629974461 522560086 /nfs/dbraw/zinc/56/00/86/522560086.db2.gz ZEVPIANFSRWECZ-FPOVZHCZSA-N 1 3 355.526 2.984 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627014522 522592472 /nfs/dbraw/zinc/59/24/72/522592472.db2.gz CFQLDIOLTMBMPS-RTBURBONSA-N 1 3 358.530 2.727 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](C)[C@@H](CO)C3)c2)C[C@@H]1CO ZINC000621370727 522807318 /nfs/dbraw/zinc/80/73/18/522807318.db2.gz PTMMEFHAGQOCDF-GMQQQROESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](C)[C@@H](CO)C3)c2)C[C@@H]1CO ZINC000621370727 522807326 /nfs/dbraw/zinc/80/73/26/522807326.db2.gz PTMMEFHAGQOCDF-GMQQQROESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](C)[C@@H](CO)C3)c2)C[C@@H]1CO ZINC000621370727 522807329 /nfs/dbraw/zinc/80/73/29/522807329.db2.gz PTMMEFHAGQOCDF-GMQQQROESA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](C)[C@@H](CO)C3)c2)C[C@@H]1CO ZINC000621370727 522807337 /nfs/dbraw/zinc/80/73/37/522807337.db2.gz PTMMEFHAGQOCDF-GMQQQROESA-N 1 3 360.542 2.587 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000636456385 522990992 /nfs/dbraw/zinc/99/09/92/522990992.db2.gz YMWXEGQBVSQOCU-IBGZPJMESA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000621659619 523001468 /nfs/dbraw/zinc/00/14/68/523001468.db2.gz NUGTXKHQLOYJPQ-SFHVURJKSA-N 1 3 358.530 2.935 20 0 FFADHO Cc1ccccc1CO[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000624935428 523039082 /nfs/dbraw/zinc/03/90/82/523039082.db2.gz JLGAZRPIUVKHRP-GOSISDBHSA-N 1 3 373.541 2.575 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c2ccccc21 ZINC000621756767 523061966 /nfs/dbraw/zinc/06/19/66/523061966.db2.gz TYPNGMOJURWOSX-ILWGZMRPSA-N 1 3 371.525 2.842 20 0 FFADHO CCC[NH+](CCC)CCCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636718440 523165012 /nfs/dbraw/zinc/16/50/12/523165012.db2.gz AXVFJIBHDBRBMV-UHFFFAOYSA-N 1 3 364.538 2.783 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2)cc1 ZINC000622044992 523236384 /nfs/dbraw/zinc/23/63/84/523236384.db2.gz ZOOVLCWDTVVTNW-CTNGQTDRSA-N 1 3 367.493 2.825 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CCCC1 ZINC000625274425 523311424 /nfs/dbraw/zinc/31/14/24/523311424.db2.gz DMKAPFKZQIMNDK-DZFGPLHGSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CCCC1 ZINC000625274425 523311432 /nfs/dbraw/zinc/31/14/32/523311432.db2.gz DMKAPFKZQIMNDK-DZFGPLHGSA-N 1 3 355.526 2.745 20 0 FFADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000637015463 523366782 /nfs/dbraw/zinc/36/67/82/523366782.db2.gz QXGIGGMIKRPMAN-RBBKRZOGSA-N 1 3 370.541 2.826 20 0 FFADHO CN(C)CCn1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000622406823 523387285 /nfs/dbraw/zinc/38/72/85/523387285.db2.gz WNHOUMUVRSQGAE-UHFFFAOYSA-N 1 3 355.486 2.683 20 0 FFADHO CNC(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000631196365 523452009 /nfs/dbraw/zinc/45/20/09/523452009.db2.gz QFKQWYOPOJSUBR-UWJYYQICSA-N 1 3 351.494 2.904 20 0 FFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCC(N2CCOCC2)CC1 ZINC000625544656 523522682 /nfs/dbraw/zinc/52/26/82/523522682.db2.gz URAIECDEAMEDCR-UHFFFAOYSA-N 1 3 357.542 2.969 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637373690 523592038 /nfs/dbraw/zinc/59/20/38/523592038.db2.gz QLNCKWYJMNOLON-QFBILLFUSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CC[C@@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[NH2+]1 ZINC000625869285 523728733 /nfs/dbraw/zinc/72/87/33/523728733.db2.gz FTZCFFHPYPOXTP-FUHWJXTLSA-N 1 3 360.502 2.813 20 0 FFADHO Cc1cc(NC(=O)CCNC2CC[NH+](CCc3ccccc3)CC2)no1 ZINC000516989483 562069659 /nfs/dbraw/zinc/06/96/59/562069659.db2.gz GECKKSCMYGWBFY-UHFFFAOYSA-N 1 3 356.470 2.608 20 0 FFADHO CC[C@H]1CN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[C@H]1[NH3+] ZINC000669111173 567909775 /nfs/dbraw/zinc/90/97/75/567909775.db2.gz FKZPZLOLUHFJCL-FXAWDEMLSA-N 1 3 358.530 2.728 20 0 FFADHO Nc1cccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)[nH+]1 ZINC001164905982 721694893 /nfs/dbraw/zinc/69/48/93/721694893.db2.gz KMONGDYJBGOEMG-SFHVURJKSA-N 1 3 359.424 2.797 20 0 FFADHO C[C@H](CNC(=O)N1CCN(CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000743331015 735289627 /nfs/dbraw/zinc/28/96/27/735289627.db2.gz ZPRWJLHNAAMDDF-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)CCN1CCC([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898370683 735349500 /nfs/dbraw/zinc/34/95/00/735349500.db2.gz AVWWWIQLIWIEOT-HNNXBMFYSA-N 1 3 367.925 2.514 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000178816203 729170978 /nfs/dbraw/zinc/17/09/78/729170978.db2.gz NTCVYFOSUFHEGH-YQVWRLOYSA-N 1 3 357.523 2.817 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000178816203 729170981 /nfs/dbraw/zinc/17/09/81/729170981.db2.gz NTCVYFOSUFHEGH-YQVWRLOYSA-N 1 3 357.523 2.817 20 0 FFADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@@H]1CCSc2c(F)cccc21 ZINC000268852861 729695764 /nfs/dbraw/zinc/69/57/64/729695764.db2.gz PPHAWNXDDMYORU-IAGOWNOFSA-N 1 3 365.518 2.895 20 0 FFADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@@H]1CCSc2c(F)cccc21 ZINC000268852861 729695768 /nfs/dbraw/zinc/69/57/68/729695768.db2.gz PPHAWNXDDMYORU-IAGOWNOFSA-N 1 3 365.518 2.895 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000779364684 738459239 /nfs/dbraw/zinc/45/92/39/738459239.db2.gz DTIHTBQZUIMNJL-HZPDHXFCSA-N 1 3 357.539 2.769 20 0 FFADHO Cc1ncc(CNC(=O)CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000639581561 730088049 /nfs/dbraw/zinc/08/80/49/730088049.db2.gz YCLAZVMAJYBQNV-ZBFHGGJFSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1ncc(CNC(=O)CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000639581561 730088052 /nfs/dbraw/zinc/08/80/52/730088052.db2.gz YCLAZVMAJYBQNV-ZBFHGGJFSA-N 1 3 364.559 2.700 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646253930 730646219 /nfs/dbraw/zinc/64/62/19/730646219.db2.gz AALQMZVHMLTUCL-HNNXBMFYSA-N 1 3 357.420 2.595 20 0 FFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccc(Br)cc1 ZINC000647815014 730764371 /nfs/dbraw/zinc/76/43/71/730764371.db2.gz LDAUENQOBGFLSY-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccc(Br)cc1 ZINC000647815014 730764373 /nfs/dbraw/zinc/76/43/73/730764373.db2.gz LDAUENQOBGFLSY-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccc(Br)cc1 ZINC000647815014 730764374 /nfs/dbraw/zinc/76/43/74/730764374.db2.gz LDAUENQOBGFLSY-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3cc4cc(Cl)cnc4o3)CC2)CC1 ZINC000648585355 730818905 /nfs/dbraw/zinc/81/89/05/730818905.db2.gz CMFLVUOOBYZYBX-UHFFFAOYSA-N 1 3 362.905 2.941 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCN3CCOC[C@@H]3C)C2)s1 ZINC000649603413 730899297 /nfs/dbraw/zinc/89/92/97/730899297.db2.gz LOJNKLNQXUADIG-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCN3CCOC[C@@H]3C)C2)s1 ZINC000649603413 730899299 /nfs/dbraw/zinc/89/92/99/730899299.db2.gz LOJNKLNQXUADIG-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCN3CCOC[C@@H]3C)C2)s1 ZINC000649603413 730899301 /nfs/dbraw/zinc/89/93/01/730899301.db2.gz LOJNKLNQXUADIG-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCN3CCOC[C@@H]3C)C2)s1 ZINC000649603413 730899303 /nfs/dbraw/zinc/89/93/03/730899303.db2.gz LOJNKLNQXUADIG-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000651196014 731064319 /nfs/dbraw/zinc/06/43/19/731064319.db2.gz JDKDVLXSIYHLNZ-SFHVURJKSA-N 1 3 352.498 2.706 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000651196014 731064322 /nfs/dbraw/zinc/06/43/22/731064322.db2.gz JDKDVLXSIYHLNZ-SFHVURJKSA-N 1 3 352.498 2.706 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cc2C1 ZINC000653128161 731241533 /nfs/dbraw/zinc/24/15/33/731241533.db2.gz SCZQNMMCMZMMIE-XBFCOCLRSA-N 1 3 357.376 2.584 20 0 FFADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000925677259 738522555 /nfs/dbraw/zinc/52/25/55/738522555.db2.gz WSRWBNPESWMNLY-GJZGRUSLSA-N 1 3 358.935 2.999 20 0 FFADHO CC1(C)C[C@@H](N)C[C@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000925677259 738522557 /nfs/dbraw/zinc/52/25/57/738522557.db2.gz WSRWBNPESWMNLY-GJZGRUSLSA-N 1 3 358.935 2.999 20 0 FFADHO C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873207432 731890826 /nfs/dbraw/zinc/89/08/26/731890826.db2.gz BSBJBJUPOJUHLU-OAHLLOKOSA-N 1 3 361.555 2.864 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000660339472 732099081 /nfs/dbraw/zinc/09/90/81/732099081.db2.gz QLGVAPKRZRNLEJ-DLBZAZTESA-N 1 3 352.548 2.915 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccsc2)N(CC)CC)C1 ZINC000660339472 732099084 /nfs/dbraw/zinc/09/90/84/732099084.db2.gz QLGVAPKRZRNLEJ-DLBZAZTESA-N 1 3 352.548 2.915 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@H]21 ZINC000875004114 732119369 /nfs/dbraw/zinc/11/93/69/732119369.db2.gz JCDPBPURMRBGHE-ZACQAIPSSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@H]21 ZINC000875004114 732119371 /nfs/dbraw/zinc/11/93/71/732119371.db2.gz JCDPBPURMRBGHE-ZACQAIPSSA-N 1 3 362.543 2.621 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)Cc1ccco1 ZINC000661408068 732200814 /nfs/dbraw/zinc/20/08/14/732200814.db2.gz JNWAACVQJCUHNJ-MRXNPFEDSA-N 1 3 350.507 2.616 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)Cc1ccco1 ZINC000661408068 732200815 /nfs/dbraw/zinc/20/08/15/732200815.db2.gz JNWAACVQJCUHNJ-MRXNPFEDSA-N 1 3 350.507 2.616 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662666795 732345140 /nfs/dbraw/zinc/34/51/40/732345140.db2.gz VSXWHHSOQIFZJI-SWLSCSKDSA-N 1 3 361.433 2.543 20 0 FFADHO CN(C)CCC[N@H+](C)CCNc1ncnc2ccc(Br)cc21 ZINC000664248324 732557949 /nfs/dbraw/zinc/55/79/49/732557949.db2.gz ZLHVPAXHKRQDFW-UHFFFAOYSA-N 1 3 366.307 2.688 20 0 FFADHO CN(C)CCC[N@@H+](C)CCNc1ncnc2ccc(Br)cc21 ZINC000664248324 732557954 /nfs/dbraw/zinc/55/79/54/732557954.db2.gz ZLHVPAXHKRQDFW-UHFFFAOYSA-N 1 3 366.307 2.688 20 0 FFADHO C[NH+]1CCC2(CCN(C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000878864901 732605996 /nfs/dbraw/zinc/60/59/96/732605996.db2.gz PHAFOXASLIQHIH-INIZCTEOSA-N 1 3 353.304 2.900 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC[C@H]1[NH3+] ZINC000669279399 733207640 /nfs/dbraw/zinc/20/76/40/733207640.db2.gz DNQURYJRXYJMRW-OIISXLGYSA-N 1 3 352.548 2.900 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H](N)CC(F)F)CCCCC1 ZINC000714232872 734368799 /nfs/dbraw/zinc/36/87/99/734368799.db2.gz JWDBOEXBGUATLT-INIZCTEOSA-N 1 3 353.457 2.920 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H](N)CC(F)F)CCCCC1 ZINC000714232872 734368802 /nfs/dbraw/zinc/36/88/02/734368802.db2.gz JWDBOEXBGUATLT-INIZCTEOSA-N 1 3 353.457 2.920 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2C3CCC2(C[NH3+])CC3)N(C)C)cc1 ZINC000891922191 734495261 /nfs/dbraw/zinc/49/52/61/734495261.db2.gz HRVZEZSKRSWFNQ-URSIVYNOSA-N 1 3 362.543 2.677 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCCN(C)C1 ZINC000893201519 734667361 /nfs/dbraw/zinc/66/73/61/734667361.db2.gz ZPUHFAXUDYPMMS-RYRKJORJSA-N 1 3 364.559 2.867 20 0 FFADHO CN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCCN(C)C1 ZINC000893201519 734667364 /nfs/dbraw/zinc/66/73/64/734667364.db2.gz ZPUHFAXUDYPMMS-RYRKJORJSA-N 1 3 364.559 2.867 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CNC[C@@H]1C[C@@]1(C)Br ZINC000894523310 734873858 /nfs/dbraw/zinc/87/38/58/734873858.db2.gz VSJNTJJABIDEKM-GOEBONIOSA-N 1 3 356.308 2.675 20 0 FFADHO Clc1nc(N2CCOCC2)sc1CNCC1CC[NH+](C2CC2)CC1 ZINC000894575899 734881334 /nfs/dbraw/zinc/88/13/34/734881334.db2.gz MXJKETDIBZXJIC-UHFFFAOYSA-N 1 3 370.950 2.597 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000738877089 735043680 /nfs/dbraw/zinc/04/36/80/735043680.db2.gz PKEBILOAOOWLPP-OAHLLOKOSA-N 1 3 364.361 2.740 20 0 FFADHO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903735581 736161464 /nfs/dbraw/zinc/16/14/64/736161464.db2.gz BROGETIVXSLOQU-LSDHHAIUSA-N 1 3 350.894 2.775 20 0 FFADHO OCCNC1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000903779395 736166307 /nfs/dbraw/zinc/16/63/07/736166307.db2.gz YOYGGWLVPWFCFK-UHFFFAOYSA-N 1 3 371.319 2.654 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760158847 736618562 /nfs/dbraw/zinc/61/85/62/736618562.db2.gz NDWLPNKBBBMPBD-NWDGAFQWSA-N 1 3 373.328 2.814 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3F)C2)[C@H]1C(C)C ZINC000922395694 738137540 /nfs/dbraw/zinc/13/75/40/738137540.db2.gz YPNUGCTZQIFEIV-WTGUMLROSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3F)C2)[C@H]1C(C)C ZINC000922395694 738137542 /nfs/dbraw/zinc/13/75/42/738137542.db2.gz YPNUGCTZQIFEIV-WTGUMLROSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3F)C2)[C@@H]1C(C)C ZINC000922395268 738137569 /nfs/dbraw/zinc/13/75/69/738137569.db2.gz RVCDRTGRDMPHIR-YSTOQKLRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3F)C2)[C@@H]1C(C)C ZINC000922395268 738137572 /nfs/dbraw/zinc/13/75/72/738137572.db2.gz RVCDRTGRDMPHIR-YSTOQKLRSA-N 1 3 350.478 2.794 20 0 FFADHO C[NH+](C)CC1(NC(=S)NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000798375363 740326227 /nfs/dbraw/zinc/32/62/27/740326227.db2.gz KOLNRXBIMUPBMN-UHFFFAOYSA-N 1 3 360.571 2.599 20 0 FFADHO Cc1c(C[NH2+]CCN2CCN(C)C(C)(C)C2)sc2nc(C)nc(C)c12 ZINC000799346424 740411083 /nfs/dbraw/zinc/41/10/83/740411083.db2.gz KZPHZZGQCQYLNR-UHFFFAOYSA-N 1 3 361.559 2.732 20 0 FFADHO Cc1ncsc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968866969 740724677 /nfs/dbraw/zinc/72/46/77/740724677.db2.gz PDLVVRWLVPBOKZ-IXDOHACOSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ncsc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968866969 740724679 /nfs/dbraw/zinc/72/46/79/740724679.db2.gz PDLVVRWLVPBOKZ-IXDOHACOSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1CCCCC1 ZINC000805182986 740948150 /nfs/dbraw/zinc/94/81/50/740948150.db2.gz ZHLXSHHBKZXGII-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000810115954 741388798 /nfs/dbraw/zinc/38/87/98/741388798.db2.gz RWONCYZIQOPXRY-LJQANCHMSA-N 1 3 371.566 2.677 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000810115954 741388801 /nfs/dbraw/zinc/38/88/01/741388801.db2.gz RWONCYZIQOPXRY-LJQANCHMSA-N 1 3 371.566 2.677 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000810645441 741436077 /nfs/dbraw/zinc/43/60/77/741436077.db2.gz AHBCBDKBTFFTDN-XAUMDUMWSA-N 1 3 351.510 2.674 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000810645441 741436080 /nfs/dbraw/zinc/43/60/80/741436080.db2.gz AHBCBDKBTFFTDN-XAUMDUMWSA-N 1 3 351.510 2.674 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000810645439 741436124 /nfs/dbraw/zinc/43/61/24/741436124.db2.gz AHBCBDKBTFFTDN-WRWLIDTKSA-N 1 3 351.510 2.674 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000810645439 741436126 /nfs/dbraw/zinc/43/61/26/741436126.db2.gz AHBCBDKBTFFTDN-WRWLIDTKSA-N 1 3 351.510 2.674 20 0 FFADHO O[C@H](CN1CC[C@H](Cc2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000814677284 741856695 /nfs/dbraw/zinc/85/66/95/741856695.db2.gz UGWZSWSPZCWPDS-AEFFLSMTSA-N 1 3 367.331 2.770 20 0 FFADHO Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000819175500 742348566 /nfs/dbraw/zinc/34/85/66/742348566.db2.gz YYYNJHAMSMQDQB-HSALFYBXSA-N 1 3 350.478 2.525 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000829548760 745223464 /nfs/dbraw/zinc/22/34/64/745223464.db2.gz OHUPUGMIHSFAMG-HOTGVXAUSA-N 1 3 352.910 2.814 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000829548760 745223468 /nfs/dbraw/zinc/22/34/68/745223468.db2.gz OHUPUGMIHSFAMG-HOTGVXAUSA-N 1 3 352.910 2.814 20 0 FFADHO [NH3+]CCCCCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000831154934 745491571 /nfs/dbraw/zinc/49/15/71/745491571.db2.gz AZJAUYMQEKXXEK-UHFFFAOYSA-N 1 3 364.456 2.610 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(C)C2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000844168481 747983123 /nfs/dbraw/zinc/98/31/23/747983123.db2.gz CNGGWGUKKYLRHB-INIZCTEOSA-N 1 3 352.910 2.765 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc(Cl)n1 ZINC000844187655 747985527 /nfs/dbraw/zinc/98/55/27/747985527.db2.gz MMDMXYKUGWGYIS-LSDHHAIUSA-N 1 3 354.926 2.916 20 0 FFADHO C[C@H]1CN(CCCCCC[NH3+])CCN1C(=O)Cc1cccc(Cl)c1 ZINC000846219219 748432542 /nfs/dbraw/zinc/43/25/42/748432542.db2.gz LDLQEZRFKPTIPG-INIZCTEOSA-N 1 3 351.922 2.934 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(CO)OC)cc1CN1CCCCC1 ZINC000848559611 748960833 /nfs/dbraw/zinc/96/08/33/748960833.db2.gz SNTATMDMVDPHIL-UZLBHIALSA-N 1 3 350.503 2.729 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000849104072 749052024 /nfs/dbraw/zinc/05/20/24/749052024.db2.gz BGBFZJVUXDPYFO-OWCLPIDISA-N 1 3 365.319 2.903 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)CN(C)C ZINC000850470454 749369193 /nfs/dbraw/zinc/36/91/93/749369193.db2.gz DVLUSHMESZORTK-CJNGLKHVSA-N 1 3 357.420 2.810 20 0 FFADHO CCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCN(C)C1 ZINC000853543579 750088505 /nfs/dbraw/zinc/08/85/05/750088505.db2.gz CUZCCKYGNQJUQH-LJQANCHMSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)c2cccn2C2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398039177 970919614 /nfs/dbraw/zinc/91/96/14/970919614.db2.gz KHJHDSLXMZWFLP-PKOBYXMFSA-N 1 3 366.509 2.805 20 0 FFADHO C[C@H]1C[C@H](NC(=O)c2cccn2C2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398039169 970920425 /nfs/dbraw/zinc/92/04/25/970920425.db2.gz KHJHDSLXMZWFLP-HKUYNNGSSA-N 1 3 366.509 2.805 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000895969978 971119071 /nfs/dbraw/zinc/11/90/71/971119071.db2.gz BJFNGVIEMJQUHY-XLIONFOSSA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000895969978 971119075 /nfs/dbraw/zinc/11/90/75/971119075.db2.gz BJFNGVIEMJQUHY-XLIONFOSSA-N 1 3 361.530 2.971 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087963938 971355160 /nfs/dbraw/zinc/35/51/60/971355160.db2.gz NKGNFPMLFRZVJR-PMPSAXMXSA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCC(F)(F)F)C[C@H]2C1 ZINC001087963938 971355165 /nfs/dbraw/zinc/35/51/65/971355165.db2.gz NKGNFPMLFRZVJR-PMPSAXMXSA-N 1 3 361.452 2.592 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4F)C[C@H]3C2)CC[N@@H+]1C ZINC001087972116 971411934 /nfs/dbraw/zinc/41/19/34/971411934.db2.gz MXCBYJSUEBTVKZ-BOFXEDATSA-N 1 3 373.516 2.836 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4F)C[C@H]3C2)CC[N@H+]1C ZINC001087972116 971411937 /nfs/dbraw/zinc/41/19/37/971411937.db2.gz MXCBYJSUEBTVKZ-BOFXEDATSA-N 1 3 373.516 2.836 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000136573563 971543667 /nfs/dbraw/zinc/54/36/67/971543667.db2.gz AEXGBFZPNKFKET-ZWKOTPCHSA-N 1 3 358.486 2.836 20 0 FFADHO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1(CN(C)C)CCCC1 ZINC001275860292 1013106807 /nfs/dbraw/zinc/10/68/07/1013106807.db2.gz UIGONXHSKWVKSO-OAQYLSRUSA-N 1 3 365.562 2.602 20 0 FFADHO CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1(CN(C)C)CCCC1 ZINC001275860292 1013106814 /nfs/dbraw/zinc/10/68/14/1013106814.db2.gz UIGONXHSKWVKSO-OAQYLSRUSA-N 1 3 365.562 2.602 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000896789947 971709936 /nfs/dbraw/zinc/70/99/36/971709936.db2.gz LECRSYVFSMTSSX-GHTZIAJQSA-N 1 3 373.541 2.925 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000896789947 971709941 /nfs/dbraw/zinc/70/99/41/971709941.db2.gz LECRSYVFSMTSSX-GHTZIAJQSA-N 1 3 373.541 2.925 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087992592 971735575 /nfs/dbraw/zinc/73/55/75/971735575.db2.gz BECVGHNBLKKNPE-HJNYFJLDSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087992592 971735581 /nfs/dbraw/zinc/73/55/81/971735581.db2.gz BECVGHNBLKKNPE-HJNYFJLDSA-N 1 3 369.553 2.924 20 0 FFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCc3cccc(F)c3)CC2)C1=O ZINC001275862394 1013110562 /nfs/dbraw/zinc/11/05/62/1013110562.db2.gz FRBPXQSGBXMLEF-NRFANRHFSA-N 1 3 361.505 2.634 20 0 FFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCc3cccc(F)c3)CC2)C1=O ZINC001275862394 1013110571 /nfs/dbraw/zinc/11/05/71/1013110571.db2.gz FRBPXQSGBXMLEF-NRFANRHFSA-N 1 3 361.505 2.634 20 0 FFADHO CN(CCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000660451575 971952325 /nfs/dbraw/zinc/95/23/25/971952325.db2.gz BKEHAENILZZPFO-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO CN(CCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000660451575 971952329 /nfs/dbraw/zinc/95/23/29/971952329.db2.gz BKEHAENILZZPFO-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO CN(CCNC(=O)NCC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000660452650 971956869 /nfs/dbraw/zinc/95/68/69/971956869.db2.gz WSCMGBVTRJNNKN-UHFFFAOYSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1c2ccccc2C[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660573920 972260443 /nfs/dbraw/zinc/26/04/43/972260443.db2.gz LZPIRLOSIATOGC-HRAATJIYSA-N 1 3 370.541 2.573 20 0 FFADHO Cc1ccc2c(c1)CN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000660575455 972260810 /nfs/dbraw/zinc/26/08/10/972260810.db2.gz USPWJLQFVHCFRI-UHFFFAOYSA-N 1 3 370.541 2.621 20 0 FFADHO Cn1ccc(N2CCC[C@H](N3CCC[C@@H](C[C@@H]([NH3+])C4CCCC4)C3)C2=O)n1 ZINC000872157255 1013157934 /nfs/dbraw/zinc/15/79/34/1013157934.db2.gz NWEFRZHRAFMDNM-UHOSZYNNSA-N 1 3 373.545 2.535 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)CCCCCC[NH3+] ZINC000872154953 1013158386 /nfs/dbraw/zinc/15/83/86/1013158386.db2.gz GZJBTZWGQCIUTJ-INIZCTEOSA-N 1 3 360.502 2.591 20 0 FFADHO [NH3+][C@@H](C[C@@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1)C1CCCC1 ZINC000872157692 1013158716 /nfs/dbraw/zinc/15/87/16/1013158716.db2.gz QSROZQGBOHBZNB-LPHOPBHVSA-N 1 3 354.498 2.814 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652137597 972374465 /nfs/dbraw/zinc/37/44/65/972374465.db2.gz QRKJAHBYWUGHIV-BEFAXECRSA-N 1 3 370.472 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000654729430 958849153 /nfs/dbraw/zinc/84/91/53/958849153.db2.gz GJURJPYTGDCAJR-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000654729430 958849171 /nfs/dbraw/zinc/84/91/71/958849171.db2.gz GJURJPYTGDCAJR-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000654729431 958850425 /nfs/dbraw/zinc/85/04/25/958850425.db2.gz GJURJPYTGDCAJR-PWRODBHTSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000654729431 958850438 /nfs/dbraw/zinc/85/04/38/958850438.db2.gz GJURJPYTGDCAJR-PWRODBHTSA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)c3ccncc3)CC2)CC1 ZINC000654978409 959235239 /nfs/dbraw/zinc/23/52/39/959235239.db2.gz UFCPDUGLNVQFIZ-UHFFFAOYSA-N 1 3 372.557 2.672 20 0 FFADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c2ccccc2)CC1 ZINC000655445621 959965741 /nfs/dbraw/zinc/96/57/41/959965741.db2.gz FAHBDNVHTISFQU-TUNNFDKTSA-N 1 3 355.526 2.966 20 0 FFADHO OC1(CN[C@H]2COCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397494112 960713186 /nfs/dbraw/zinc/71/31/86/960713186.db2.gz ONMDHNYRBUQWIW-NRFANRHFSA-N 1 3 352.478 2.875 20 0 FFADHO Cc1cc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc(N2CCN(C(C)C)CC2)c1 ZINC000655610650 960871241 /nfs/dbraw/zinc/87/12/41/960871241.db2.gz OUOIKJLBOZHWOD-UNMCSNQZSA-N 1 3 370.541 2.854 20 0 FFADHO c1cnn(Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)c1 ZINC000655694855 961095979 /nfs/dbraw/zinc/09/59/79/961095979.db2.gz HPIVGDOGHKGQRS-OAQYLSRUSA-N 1 3 354.498 2.664 20 0 FFADHO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000655826145 961468797 /nfs/dbraw/zinc/46/87/97/961468797.db2.gz FJVZDCBWUAZLNR-IYWMVGAKSA-N 1 3 365.525 2.563 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(C[NH3+])c3)cc2)CC1 ZINC000649268406 1013310337 /nfs/dbraw/zinc/31/03/37/1013310337.db2.gz BHNODLLMSJNIBH-UHFFFAOYSA-N 1 3 352.482 2.928 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000656127304 962345831 /nfs/dbraw/zinc/34/58/31/962345831.db2.gz XCTDDYZQBNLFOY-HLAWJBBLSA-N 1 3 351.494 2.974 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1 ZINC000649354896 1013370481 /nfs/dbraw/zinc/37/04/81/1013370481.db2.gz WATQWQQQENBZIC-UHFFFAOYSA-N 1 3 368.481 2.700 20 0 FFADHO Cc1nn(-c2ccc(C)cc2)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000656261527 963023447 /nfs/dbraw/zinc/02/34/47/963023447.db2.gz KGWRKNWXSQLZJK-UHFFFAOYSA-N 1 3 369.557 2.947 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCC[C@H]2CCOC2=O)CC1 ZINC000873161248 1013406300 /nfs/dbraw/zinc/40/63/00/1013406300.db2.gz MONXNGPRYILDRC-SFHVURJKSA-N 1 3 359.514 2.652 20 0 FFADHO Cc1ccc(Cl)c(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1F ZINC001276077646 1013409857 /nfs/dbraw/zinc/40/98/57/1013409857.db2.gz RWBZDIWWVNQBQZ-LJQANCHMSA-N 1 3 367.896 2.774 20 0 FFADHO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000649414368 1013409942 /nfs/dbraw/zinc/40/99/42/1013409942.db2.gz VHMXMZBXSCBNNV-ONTIZHBOSA-N 1 3 353.510 2.648 20 0 FFADHO CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000649414368 1013409946 /nfs/dbraw/zinc/40/99/46/1013409946.db2.gz VHMXMZBXSCBNNV-ONTIZHBOSA-N 1 3 353.510 2.648 20 0 FFADHO C[C@H](CCCc1cccnc1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243200 1013442484 /nfs/dbraw/zinc/44/24/84/1013442484.db2.gz JIKPAXRAAAJTDK-MRXNPFEDSA-N 1 3 350.470 2.622 20 0 FFADHO COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242426 1013443053 /nfs/dbraw/zinc/44/30/53/1013443053.db2.gz BMGVKUNFLOIZLZ-HXUWFJFHSA-N 1 3 363.465 2.902 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000656540399 963808773 /nfs/dbraw/zinc/80/87/73/963808773.db2.gz HOWUMSBXOBUJSN-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000656540399 963808776 /nfs/dbraw/zinc/80/87/76/963808776.db2.gz HOWUMSBXOBUJSN-UYAOXDASSA-N 1 3 374.529 2.568 20 0 FFADHO CC/C=C\CCN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001269292883 964054211 /nfs/dbraw/zinc/05/42/11/964054211.db2.gz SQQXTODGHSDOJT-BYFQOIAZSA-N 1 3 355.526 2.879 20 0 FFADHO CC/C=C\CCN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001269292883 964054222 /nfs/dbraw/zinc/05/42/22/964054222.db2.gz SQQXTODGHSDOJT-BYFQOIAZSA-N 1 3 355.526 2.879 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)c(C)c2)CC1 ZINC000873299905 1013466439 /nfs/dbraw/zinc/46/64/39/1013466439.db2.gz NWAMCFHHNJYGCX-CTNGQTDRSA-N 1 3 371.529 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3oc(C(C)C)nc3C)C2)CC[N@@H+]1C ZINC001022109875 964312520 /nfs/dbraw/zinc/31/25/20/964312520.db2.gz VGEWJALZPIMETE-VVLHAWIVSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3oc(C(C)C)nc3C)C2)CC[N@H+]1C ZINC001022109875 964312530 /nfs/dbraw/zinc/31/25/30/964312530.db2.gz VGEWJALZPIMETE-VVLHAWIVSA-N 1 3 362.518 2.574 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc(N)ccn1 ZINC000891810155 965127959 /nfs/dbraw/zinc/12/79/59/965127959.db2.gz SFUKMWOIFVWTEC-IBGZPJMESA-N 1 3 355.486 2.620 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc(N)ccn1 ZINC000891810155 965127966 /nfs/dbraw/zinc/12/79/66/965127966.db2.gz SFUKMWOIFVWTEC-IBGZPJMESA-N 1 3 355.486 2.620 20 0 FFADHO COCCN(CCOC)C1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000894749470 965658112 /nfs/dbraw/zinc/65/81/12/965658112.db2.gz FKMCCRIEAUVCQY-UHFFFAOYSA-N 1 3 361.530 2.604 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N(C)C)cc1 ZINC000664902174 965964700 /nfs/dbraw/zinc/96/47/00/965964700.db2.gz NGSJYLWKBNTHAB-VQIMIIECSA-N 1 3 364.534 2.716 20 0 FFADHO CO[C@@H]1CC[C@H]([NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 ZINC001167529202 966076604 /nfs/dbraw/zinc/07/66/04/966076604.db2.gz DLXCEDOCGXRABP-LEWJYISDSA-N 1 3 373.541 2.514 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892153171 966087125 /nfs/dbraw/zinc/08/71/25/966087125.db2.gz MROGHTPMZJCWRS-JTSKRJEESA-N 1 3 356.558 2.727 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892153171 966087139 /nfs/dbraw/zinc/08/71/39/966087139.db2.gz MROGHTPMZJCWRS-JTSKRJEESA-N 1 3 356.558 2.727 20 0 FFADHO O=C(c1ccco1)N1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]2C1 ZINC001167989070 966127330 /nfs/dbraw/zinc/12/73/30/966127330.db2.gz STCBMJMDLODQNL-BKNJSMIZSA-N 1 3 369.509 2.689 20 0 FFADHO C[C@H](NCc1cnn2c1CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000657348756 966247871 /nfs/dbraw/zinc/24/78/71/966247871.db2.gz GWNILDRQYMLHSP-HNNXBMFYSA-N 1 3 357.477 2.571 20 0 FFADHO CN1CC[C@@](O)(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC000657434380 966527926 /nfs/dbraw/zinc/52/79/26/966527926.db2.gz HAIXVFUIVJBMQM-HXUWFJFHSA-N 1 3 362.420 2.700 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC001087212752 966579877 /nfs/dbraw/zinc/57/98/77/966579877.db2.gz OOYPVTPSBIPYDU-UWVAXJGDSA-N 1 3 361.505 2.884 20 0 FFADHO Cn1ncc(C2CCC2)c1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000657494317 966687572 /nfs/dbraw/zinc/68/75/72/966687572.db2.gz FJYMOOKEHOOZSO-UHFFFAOYSA-N 1 3 368.525 2.804 20 0 FFADHO Cn1ncc(C2CCC2)c1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000657494317 966687580 /nfs/dbraw/zinc/68/75/80/966687580.db2.gz FJYMOOKEHOOZSO-UHFFFAOYSA-N 1 3 368.525 2.804 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001087219699 966757079 /nfs/dbraw/zinc/75/70/79/966757079.db2.gz KFZWYLIZZLHYED-YCPHGPKFSA-N 1 3 354.445 2.604 20 0 FFADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167994147 967177868 /nfs/dbraw/zinc/17/78/68/967177868.db2.gz XLCBHFXVPZHAFF-QDSUGMFFSA-N 1 3 369.509 2.831 20 0 FFADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167994147 967177876 /nfs/dbraw/zinc/17/78/76/967177876.db2.gz XLCBHFXVPZHAFF-QDSUGMFFSA-N 1 3 369.509 2.831 20 0 FFADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167994147 967177881 /nfs/dbraw/zinc/17/78/81/967177881.db2.gz XLCBHFXVPZHAFF-QDSUGMFFSA-N 1 3 369.509 2.831 20 0 FFADHO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167994147 967177891 /nfs/dbraw/zinc/17/78/91/967177891.db2.gz XLCBHFXVPZHAFF-QDSUGMFFSA-N 1 3 369.509 2.831 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000647978581 967197579 /nfs/dbraw/zinc/19/75/79/967197579.db2.gz VAPFSHZTPIDGCY-OALUTQOASA-N 1 3 355.526 2.894 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000665285837 968004177 /nfs/dbraw/zinc/00/41/77/968004177.db2.gz YDTHODKSSGECSL-WZYRSQIMSA-N 1 3 370.585 2.703 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CCC(OC)CC2)cc1)C(C)C ZINC000080000181 968035533 /nfs/dbraw/zinc/03/55/33/968035533.db2.gz IJRMTMAILFRGSB-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCC(OC)CC2)cc1)C(C)C ZINC000080000181 968035544 /nfs/dbraw/zinc/03/55/44/968035544.db2.gz IJRMTMAILFRGSB-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1cccnc1C ZINC001087578669 968234878 /nfs/dbraw/zinc/23/48/78/968234878.db2.gz IRXXRLQLSCIQAA-VNTMZGSJSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1cccnc1C ZINC001087578669 968234891 /nfs/dbraw/zinc/23/48/91/968234891.db2.gz IRXXRLQLSCIQAA-VNTMZGSJSA-N 1 3 358.530 2.589 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)Cc1ccccc1 ZINC000874433427 1013836127 /nfs/dbraw/zinc/83/61/27/1013836127.db2.gz YEADNCYUIWNRCP-RXVVDRJESA-N 1 3 360.546 2.566 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c(C)c2)CC1 ZINC000658979849 969595844 /nfs/dbraw/zinc/59/58/44/969595844.db2.gz BNOHJJMOYALIAP-GOSISDBHSA-N 1 3 361.534 2.632 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659029361 969643952 /nfs/dbraw/zinc/64/39/52/969643952.db2.gz HMIXARNVZNPZCI-QFBILLFUSA-N 1 3 374.529 2.980 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659029361 969643956 /nfs/dbraw/zinc/64/39/56/969643956.db2.gz HMIXARNVZNPZCI-QFBILLFUSA-N 1 3 374.529 2.980 20 0 FFADHO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659034839 969651665 /nfs/dbraw/zinc/65/16/65/969651665.db2.gz QZSLIKYMWWKCLM-LJQANCHMSA-N 1 3 360.502 2.781 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659038216 969656793 /nfs/dbraw/zinc/65/67/93/969656793.db2.gz NDZSDDXIKYQVMN-HXUWFJFHSA-N 1 3 374.529 2.933 20 0 FFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659039150 969659282 /nfs/dbraw/zinc/65/92/82/969659282.db2.gz HLRVGTYPYBNHIA-FQEVSTJZSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000659047759 969667346 /nfs/dbraw/zinc/66/73/46/969667346.db2.gz USXSQKCZIDPEFQ-OXQOHEQNSA-N 1 3 372.513 2.686 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[N@H+](C2CCC2)C1 ZINC000659047759 969667351 /nfs/dbraw/zinc/66/73/51/969667351.db2.gz USXSQKCZIDPEFQ-OXQOHEQNSA-N 1 3 372.513 2.686 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N(C)Cc1ccccc1 ZINC000659454149 969942666 /nfs/dbraw/zinc/94/26/66/969942666.db2.gz XSLQGHVXZVZSMG-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO N[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[C@H]1F ZINC000659455351 969944162 /nfs/dbraw/zinc/94/41/62/969944162.db2.gz XJLTWJQOQQIYDO-RTBURBONSA-N 1 3 362.493 2.643 20 0 FFADHO C[NH2+]C[C@@H](C)NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000659648108 970095499 /nfs/dbraw/zinc/09/54/99/970095499.db2.gz QMIHKBOWXXCKEG-LJQANCHMSA-N 1 3 368.525 2.938 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC[C@H]1CCCC1(F)F ZINC001104732340 970188991 /nfs/dbraw/zinc/18/89/91/970188991.db2.gz UTSUHTXYRBBZOX-BZUAXINKSA-N 1 3 368.472 2.852 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccsc4)C[C@H]3C2)CC[N@@H+]1C ZINC001088082098 972562371 /nfs/dbraw/zinc/56/23/71/972562371.db2.gz VNTUYHSUYVFPNU-KANFNMMFSA-N 1 3 361.555 2.759 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccsc4)C[C@H]3C2)CC[N@H+]1C ZINC001088082098 972562385 /nfs/dbraw/zinc/56/23/85/972562385.db2.gz VNTUYHSUYVFPNU-KANFNMMFSA-N 1 3 361.555 2.759 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)cc2)CC1 ZINC001116036381 1032079733 /nfs/dbraw/zinc/07/97/33/1032079733.db2.gz VEVGFIQTSBZLME-PMACEKPBSA-N 1 3 373.545 2.823 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)c1 ZINC001088200940 973628853 /nfs/dbraw/zinc/62/88/53/973628853.db2.gz CIWBRZPQMQQNBH-MJGOQNOKSA-N 1 3 359.489 2.510 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)c1 ZINC001088200940 973628863 /nfs/dbraw/zinc/62/88/63/973628863.db2.gz CIWBRZPQMQQNBH-MJGOQNOKSA-N 1 3 359.489 2.510 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000662729656 973828945 /nfs/dbraw/zinc/82/89/45/973828945.db2.gz JFUAWJQQVNPGSV-FCHUYYIVSA-N 1 3 357.542 2.704 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000665762985 974099507 /nfs/dbraw/zinc/09/95/07/974099507.db2.gz WOQQZSWQJKNZBW-ICSRJNTNSA-N 1 3 360.546 2.848 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000665762985 974099516 /nfs/dbraw/zinc/09/95/16/974099516.db2.gz WOQQZSWQJKNZBW-ICSRJNTNSA-N 1 3 360.546 2.848 20 0 FFADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000047978511 974703209 /nfs/dbraw/zinc/70/32/09/974703209.db2.gz BTYVARLBBANNHJ-FQEVSTJZSA-N 1 3 362.514 2.683 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000652290375 974775556 /nfs/dbraw/zinc/77/55/56/974775556.db2.gz AGOUPFTYOYOXNM-UHFFFAOYSA-N 1 3 358.486 2.663 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000760562446 975547336 /nfs/dbraw/zinc/54/73/36/975547336.db2.gz QBJZFRWSWIEPCY-NRFANRHFSA-N 1 3 373.541 2.660 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662598012 975733464 /nfs/dbraw/zinc/73/34/64/975733464.db2.gz NXTLRDAXNHTSHO-RTWAWAEBSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000662638478 975773412 /nfs/dbraw/zinc/77/34/12/975773412.db2.gz QXYKGMLHTRTIMQ-UWJYYQICSA-N 1 3 366.509 2.746 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000662677435 975813846 /nfs/dbraw/zinc/81/38/46/975813846.db2.gz ZGNUUFUVAJLUOD-UHFFFAOYSA-N 1 3 359.514 2.685 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C/Cl)C1)N(C)C ZINC001112531308 975871003 /nfs/dbraw/zinc/87/10/03/975871003.db2.gz QSFBQQMXHSWVOT-AVTDHSPQSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000663509357 976082715 /nfs/dbraw/zinc/08/27/15/976082715.db2.gz KKZFHLRAGYGLNM-PXNSSMCTSA-N 1 3 372.513 2.940 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000663509357 976082727 /nfs/dbraw/zinc/08/27/27/976082727.db2.gz KKZFHLRAGYGLNM-PXNSSMCTSA-N 1 3 372.513 2.940 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)[C@H]2C)cc1 ZINC001088792195 976306484 /nfs/dbraw/zinc/30/64/84/976306484.db2.gz ZOSOMVVZCGCHIM-QUCCMNQESA-N 1 3 357.542 2.991 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)[C@H]2C)cc1 ZINC001088792195 976306499 /nfs/dbraw/zinc/30/64/99/976306499.db2.gz ZOSOMVVZCGCHIM-QUCCMNQESA-N 1 3 357.542 2.991 20 0 FFADHO c1nc2cc(NCCN3CCSCC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001167837544 976435743 /nfs/dbraw/zinc/43/57/43/976435743.db2.gz NHWTUBVKWUSTNN-KRWDZBQOSA-N 1 3 359.543 2.812 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000663682654 976837349 /nfs/dbraw/zinc/83/73/49/976837349.db2.gz VFTFKJLKDFSORH-HOCLYGCPSA-N 1 3 374.451 2.861 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000663682654 976837356 /nfs/dbraw/zinc/83/73/56/976837356.db2.gz VFTFKJLKDFSORH-HOCLYGCPSA-N 1 3 374.451 2.861 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667790803 977033799 /nfs/dbraw/zinc/03/37/99/977033799.db2.gz CDJQBWOXRGFVRM-FQEVSTJZSA-N 1 3 365.481 2.686 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001211732349 977570095 /nfs/dbraw/zinc/57/00/95/977570095.db2.gz BGSRPQNDWKMYBB-DLBZAZTESA-N 1 3 371.447 2.863 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645178163 977925954 /nfs/dbraw/zinc/92/59/54/977925954.db2.gz ARXJCHVRPDAPAK-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645178163 977925958 /nfs/dbraw/zinc/92/59/58/977925958.db2.gz ARXJCHVRPDAPAK-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664127700 978051237 /nfs/dbraw/zinc/05/12/37/978051237.db2.gz WDFKNQAQGGFREW-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000664127700 978051248 /nfs/dbraw/zinc/05/12/48/978051248.db2.gz WDFKNQAQGGFREW-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CC[C@@H](NCC1(C[NH2+][C@@H](CC)[C@@H]2CCCCO2)COC1)[C@@H]1CCCCO1 ZINC000653874392 1014473018 /nfs/dbraw/zinc/47/30/18/1014473018.db2.gz GEPXDSATSJDACQ-YRPNKDGESA-N 1 3 368.562 2.878 20 0 FFADHO CC[C@@H]([NH2+]CC1(CN[C@@H](CC)[C@@H]2CCCCO2)COC1)[C@@H]1CCCCO1 ZINC000653874392 1014473023 /nfs/dbraw/zinc/47/30/23/1014473023.db2.gz GEPXDSATSJDACQ-YRPNKDGESA-N 1 3 368.562 2.878 20 0 FFADHO CNC(=O)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804230 978317039 /nfs/dbraw/zinc/31/70/39/978317039.db2.gz LTDYZLDIWOHZSJ-ZOBUZTSGSA-N 1 3 371.447 2.717 20 0 FFADHO CNC(=O)[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Cc1ccc(C(F)(F)F)cc1 ZINC000647804230 978317048 /nfs/dbraw/zinc/31/70/48/978317048.db2.gz LTDYZLDIWOHZSJ-ZOBUZTSGSA-N 1 3 371.447 2.717 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccc(C)cc2Cl)CC[N@@H+]1C ZINC001268645488 978338443 /nfs/dbraw/zinc/33/84/43/978338443.db2.gz NRRQYJLXBWHJHM-UWWQBHOKSA-N 1 3 351.922 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccc(C)cc2Cl)CC[N@H+]1C ZINC001268645488 978338451 /nfs/dbraw/zinc/33/84/51/978338451.db2.gz NRRQYJLXBWHJHM-UWWQBHOKSA-N 1 3 351.922 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cc4ccccc4o3)C2)CC[N@@H+]1C ZINC000968737732 1014487209 /nfs/dbraw/zinc/48/72/09/1014487209.db2.gz FYLPGBAOYGCJJQ-NZSAHSFTSA-N 1 3 355.482 2.854 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cc4ccccc4o3)C2)CC[N@H+]1C ZINC000968737732 1014487214 /nfs/dbraw/zinc/48/72/14/1014487214.db2.gz FYLPGBAOYGCJJQ-NZSAHSFTSA-N 1 3 355.482 2.854 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001076086154 979094166 /nfs/dbraw/zinc/09/41/66/979094166.db2.gz RGRCDYRSRZRYCO-PWRODBHTSA-N 1 3 371.569 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001076086154 979094176 /nfs/dbraw/zinc/09/41/76/979094176.db2.gz RGRCDYRSRZRYCO-PWRODBHTSA-N 1 3 371.569 2.974 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4cc5ccccc5o4)C[C@H]32)CC1 ZINC001076206202 979223924 /nfs/dbraw/zinc/22/39/24/979223924.db2.gz DFMSPJPQEAJASI-AZUAARDMSA-N 1 3 367.493 2.807 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]32)C1 ZINC001076244728 979278886 /nfs/dbraw/zinc/27/88/86/979278886.db2.gz WRGLQRHABRTVAF-SQGPQFPESA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)C1 ZINC001076244728 979278891 /nfs/dbraw/zinc/27/88/91/979278891.db2.gz WRGLQRHABRTVAF-SQGPQFPESA-N 1 3 351.510 2.532 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076462343 979534088 /nfs/dbraw/zinc/53/40/88/979534088.db2.gz QUQYJHUOSYVYRA-IMFGXOCKSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076462343 979534097 /nfs/dbraw/zinc/53/40/97/979534097.db2.gz QUQYJHUOSYVYRA-IMFGXOCKSA-N 1 3 359.489 2.509 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001112212130 980223793 /nfs/dbraw/zinc/22/37/93/980223793.db2.gz PFJWIBWKUUGYNM-HZPDHXFCSA-N 1 3 363.468 2.886 20 0 FFADHO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000904320266 980241983 /nfs/dbraw/zinc/24/19/83/980241983.db2.gz FZGRAGCYTDQSFU-PXNSSMCTSA-N 1 3 374.554 2.623 20 0 FFADHO CC(C)(C)CC[C@@H](N)C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000904366327 980260806 /nfs/dbraw/zinc/26/08/06/980260806.db2.gz IFBUFCJVZLQUDC-QGZVFWFLSA-N 1 3 360.546 2.833 20 0 FFADHO CC(C)(C)CC[C@@H]([NH3+])CNC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000904366327 980260813 /nfs/dbraw/zinc/26/08/13/980260813.db2.gz IFBUFCJVZLQUDC-QGZVFWFLSA-N 1 3 360.546 2.833 20 0 FFADHO O[C@H](C[C@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000905098505 980382036 /nfs/dbraw/zinc/38/20/36/980382036.db2.gz SZZVOAHAPKEXOG-ACIOBRDBSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@H](C[C@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000905098505 980382042 /nfs/dbraw/zinc/38/20/42/980382042.db2.gz SZZVOAHAPKEXOG-ACIOBRDBSA-N 1 3 368.521 2.625 20 0 FFADHO O[C@H](C[C@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000905098505 980382047 /nfs/dbraw/zinc/38/20/47/980382047.db2.gz SZZVOAHAPKEXOG-ACIOBRDBSA-N 1 3 368.521 2.625 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907871001 981320804 /nfs/dbraw/zinc/32/08/04/981320804.db2.gz FSEMFUQVULOHTO-MYBQVCMBSA-N 1 3 373.463 2.925 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907871001 981320808 /nfs/dbraw/zinc/32/08/08/981320808.db2.gz FSEMFUQVULOHTO-MYBQVCMBSA-N 1 3 373.463 2.925 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Cc1ccccc1 ZINC000668649621 981358952 /nfs/dbraw/zinc/35/89/52/981358952.db2.gz YDKKHCMKVHLWMB-HBMCJLEFSA-N 1 3 372.557 2.581 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000668665722 981383918 /nfs/dbraw/zinc/38/39/18/981383918.db2.gz NEMYCEYNNYDHFQ-PCCBWWKXSA-N 1 3 370.541 2.682 20 0 FFADHO c1cc2n(n1)C[C@H](C[NH2+]C[C@@H]1CN(Cc3ccccc3)CC13CCC3)CN2 ZINC000668713419 981501550 /nfs/dbraw/zinc/50/15/50/981501550.db2.gz PCRMPHZVFHOPBW-WOJBJXKFSA-N 1 3 365.525 2.817 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000067671464 981554033 /nfs/dbraw/zinc/55/40/33/981554033.db2.gz NKMDZQXLUVFEME-IBGZPJMESA-N 1 3 368.525 2.776 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000654517530 1014745033 /nfs/dbraw/zinc/74/50/33/1014745033.db2.gz VGWURSQDDRXIHG-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000878182538 1014903750 /nfs/dbraw/zinc/90/37/50/1014903750.db2.gz MMYQKOFQGBOXNG-LJQANCHMSA-N 1 3 360.502 2.513 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654375294 984082594 /nfs/dbraw/zinc/08/25/94/984082594.db2.gz ZEXVVAUHAMTCGM-SFTDATJTSA-N 1 3 370.541 2.751 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654375294 984082602 /nfs/dbraw/zinc/08/26/02/984082602.db2.gz ZEXVVAUHAMTCGM-SFTDATJTSA-N 1 3 370.541 2.751 20 0 FFADHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000878368073 1015009351 /nfs/dbraw/zinc/00/93/51/1015009351.db2.gz HFEIBHDVHFIHAU-INIZCTEOSA-N 1 3 352.482 2.610 20 0 FFADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168530419 984291473 /nfs/dbraw/zinc/29/14/73/984291473.db2.gz SWYHSKQEJREENU-UPJWGTAASA-N 1 3 353.429 2.843 20 0 FFADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168530419 984291478 /nfs/dbraw/zinc/29/14/78/984291478.db2.gz SWYHSKQEJREENU-UPJWGTAASA-N 1 3 353.429 2.843 20 0 FFADHO O=C1NC[C@H](c2ccccc2)C12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377418 984313451 /nfs/dbraw/zinc/31/34/51/984313451.db2.gz GUXXIZNTHCSWQZ-OAQYLSRUSA-N 1 3 367.537 2.857 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000651191543 1015034848 /nfs/dbraw/zinc/03/48/48/1015034848.db2.gz DFQPLPQYNZHCBA-UHFFFAOYSA-N 1 3 364.534 2.863 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000651191543 1015034860 /nfs/dbraw/zinc/03/48/60/1015034860.db2.gz DFQPLPQYNZHCBA-UHFFFAOYSA-N 1 3 364.534 2.863 20 0 FFADHO CC(C)(C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1)N1CCCCC1 ZINC001112102369 984546261 /nfs/dbraw/zinc/54/62/61/984546261.db2.gz FUKIOULTOMHLMP-ZIAGYGMSSA-N 1 3 367.431 2.589 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC1CC1)CC2 ZINC001107454756 984559196 /nfs/dbraw/zinc/55/91/96/984559196.db2.gz LXTPZRCFMJZSSB-WIYYLYMNSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC1CC1)CC2 ZINC001107454756 984559199 /nfs/dbraw/zinc/55/91/99/984559199.db2.gz LXTPZRCFMJZSSB-WIYYLYMNSA-N 1 3 365.562 2.504 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000669483992 984650940 /nfs/dbraw/zinc/65/09/40/984650940.db2.gz XFWBLFXIDRUVKC-IFMALSPDSA-N 1 3 370.541 2.999 20 0 FFADHO Cc1ncccc1C[N@@H+]1CC[C@@]2(CNC(=O)CN3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546557 984670999 /nfs/dbraw/zinc/67/09/99/984670999.db2.gz HQJDQZSJGJJSCA-NQSCKRDGSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1ncccc1C[N@H+]1CC[C@@]2(CNC(=O)CN3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546557 984671002 /nfs/dbraw/zinc/67/10/02/984671002.db2.gz HQJDQZSJGJJSCA-NQSCKRDGSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1cccnc1C[N@@H+]1CC[C@@]2(CNC(=O)CN3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546866 984672429 /nfs/dbraw/zinc/67/24/29/984672429.db2.gz RMLMZPQOFGKJDC-UCNVEGJOSA-N 1 3 370.541 2.593 20 0 FFADHO Cc1cccnc1C[N@H+]1CC[C@@]2(CNC(=O)CN3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546866 984672434 /nfs/dbraw/zinc/67/24/34/984672434.db2.gz RMLMZPQOFGKJDC-UCNVEGJOSA-N 1 3 370.541 2.593 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCOCC1)CC2)N(C)C ZINC001107555234 984686734 /nfs/dbraw/zinc/68/67/34/984686734.db2.gz YXHZEYJYHVFTNF-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCOCC1)CC2)N(C)C ZINC001107555234 984686738 /nfs/dbraw/zinc/68/67/38/984686738.db2.gz YXHZEYJYHVFTNF-QKNQBKEWSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@@H]1CN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC[C@H]1[NH3+] ZINC000669562593 984784831 /nfs/dbraw/zinc/78/48/31/984784831.db2.gz VRSJNLWDDJXVOQ-AQNXPRMDSA-N 1 3 360.546 2.912 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cncc(C)c1)CC2 ZINC001107614698 984824344 /nfs/dbraw/zinc/82/43/44/984824344.db2.gz ITOLEPQWFOYSLY-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cncc(C)c1)CC2 ZINC001107614698 984824352 /nfs/dbraw/zinc/82/43/52/984824352.db2.gz ITOLEPQWFOYSLY-TZIWHRDSSA-N 1 3 358.530 2.593 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H]1CC(C)(C)CO1)CC2 ZINC001107617534 984842515 /nfs/dbraw/zinc/84/25/15/984842515.db2.gz LMHDZAOTTSRGRI-DBXWQHBBSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H]1CC(C)(C)CO1)CC2 ZINC001107617534 984842536 /nfs/dbraw/zinc/84/25/36/984842536.db2.gz LMHDZAOTTSRGRI-DBXWQHBBSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC1CCC1)CC2 ZINC001107646062 984919029 /nfs/dbraw/zinc/91/90/29/984919029.db2.gz AFPIYORQXXBBRO-TZIWHRDSSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC1CCC1)CC2 ZINC001107646062 984919032 /nfs/dbraw/zinc/91/90/32/984919032.db2.gz AFPIYORQXXBBRO-TZIWHRDSSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cccnc1C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646680 984937911 /nfs/dbraw/zinc/93/79/11/984937911.db2.gz QALYHRIBWYJJBN-TZIWHRDSSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cccnc1C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646680 984937915 /nfs/dbraw/zinc/93/79/15/984937915.db2.gz QALYHRIBWYJJBN-TZIWHRDSSA-N 1 3 358.530 2.591 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)cc2)CC1 ZINC000921555028 985316350 /nfs/dbraw/zinc/31/63/50/985316350.db2.gz CWPPMKJLFIOARX-YPAWHYETSA-N 1 3 357.542 2.729 20 0 FFADHO O[C@H](C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)CC1(O)CCCC1 ZINC000878606014 1015127921 /nfs/dbraw/zinc/12/79/21/1015127921.db2.gz MFMKCHCRCNGBIY-LEWJYISDSA-N 1 3 358.526 2.641 20 0 FFADHO O[C@H](C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)CC1(O)CCCC1 ZINC000878606014 1015127927 /nfs/dbraw/zinc/12/79/27/1015127927.db2.gz MFMKCHCRCNGBIY-LEWJYISDSA-N 1 3 358.526 2.641 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCN1CCOC1CCC1 ZINC001088922561 985468628 /nfs/dbraw/zinc/46/86/28/985468628.db2.gz QMPVVCGSROYPHY-UZLBHIALSA-N 1 3 359.514 2.510 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC000998018605 985893489 /nfs/dbraw/zinc/89/34/89/985893489.db2.gz PTKYYLMOCWYUSR-MISYRCLQSA-N 1 3 358.530 2.625 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC000998018605 985893497 /nfs/dbraw/zinc/89/34/97/985893497.db2.gz PTKYYLMOCWYUSR-MISYRCLQSA-N 1 3 358.530 2.625 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206027239 1032111826 /nfs/dbraw/zinc/11/18/26/1032111826.db2.gz VGQBPQCYCLPZRC-FHTYSXSTSA-N 1 3 352.425 2.958 20 0 FFADHO COc1ccc2c(CN3CCCN(c4cc[nH+]cc4)CC3)cc(=O)oc2c1 ZINC000878746305 1015196756 /nfs/dbraw/zinc/19/67/56/1015196756.db2.gz ZQLATHSFEOPHNE-UHFFFAOYSA-N 1 3 365.433 2.909 20 0 FFADHO CCc1ccc(CCN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001007376349 1015209954 /nfs/dbraw/zinc/20/99/54/1015209954.db2.gz INAFYDHIOONOFV-DUXKGJEZSA-N 1 3 357.542 2.712 20 0 FFADHO CCc1ccc(CCN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001007376349 1015209959 /nfs/dbraw/zinc/20/99/59/1015209959.db2.gz INAFYDHIOONOFV-DUXKGJEZSA-N 1 3 357.542 2.712 20 0 FFADHO CC(C)(C)C1CC1C(=O)N1CCCC([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000999666087 986581561 /nfs/dbraw/zinc/58/15/61/986581561.db2.gz FYZKHZNRTQSPQS-KZNAEPCWSA-N 1 3 357.498 2.548 20 0 FFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921691536 986717020 /nfs/dbraw/zinc/71/70/20/986717020.db2.gz ZELKHVNBCIVMPY-GOSISDBHSA-N 1 3 368.481 2.551 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnc2n1CCOC2 ZINC000921843398 987221303 /nfs/dbraw/zinc/22/13/03/987221303.db2.gz WTTDDWACGDLIQW-IRXDYDNUSA-N 1 3 354.498 2.660 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnc2n1CCOC2 ZINC000921843397 987221427 /nfs/dbraw/zinc/22/14/27/987221427.db2.gz WTTDDWACGDLIQW-IAGOWNOFSA-N 1 3 354.498 2.660 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)nc2)[C@H](C)C1 ZINC001106339713 987981489 /nfs/dbraw/zinc/98/14/89/987981489.db2.gz ZNDJJVYEFNAPBC-GDBMZVCRSA-N 1 3 366.937 2.649 20 0 FFADHO COc1cc2c(cc1CN[C@@H]1C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]1O)O[C@H](C)C2 ZINC000922386830 988544242 /nfs/dbraw/zinc/54/42/42/988544242.db2.gz JBZKQLOGCSCZAS-BWJXLQTRSA-N 1 3 374.525 2.588 20 0 FFADHO COc1cc2c(cc1CN[C@@H]1C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]1O)O[C@H](C)C2 ZINC000922386830 988544250 /nfs/dbraw/zinc/54/42/50/988544250.db2.gz JBZKQLOGCSCZAS-BWJXLQTRSA-N 1 3 374.525 2.588 20 0 FFADHO Cc1cccc(CCC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001106665766 988607484 /nfs/dbraw/zinc/60/74/84/988607484.db2.gz BAQKIORTQHHQPE-TUNNFDKTSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1 ZINC001106665115 988607890 /nfs/dbraw/zinc/60/78/90/988607890.db2.gz IMLAJEWVINBHPX-SFHLNBCPSA-N 1 3 357.542 2.788 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)[C@H](C)C1 ZINC001106784979 989056557 /nfs/dbraw/zinc/05/65/57/989056557.db2.gz RBLKHWHJTGCYCL-MDYRTPRTSA-N 1 3 361.505 2.839 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001085196701 989103242 /nfs/dbraw/zinc/10/32/42/989103242.db2.gz KNPPDYDQMONIAU-AQNXPRMDSA-N 1 3 358.530 2.780 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000673770672 989253020 /nfs/dbraw/zinc/25/30/20/989253020.db2.gz PBUNYNRTNRUOKL-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000673770672 989253029 /nfs/dbraw/zinc/25/30/29/989253029.db2.gz PBUNYNRTNRUOKL-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000673776508 989261207 /nfs/dbraw/zinc/26/12/07/989261207.db2.gz ITHFATFNQKGHRO-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000673776508 989261216 /nfs/dbraw/zinc/26/12/16/989261216.db2.gz ITHFATFNQKGHRO-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2F)N(C)C)cc1 ZINC000652141568 1015475925 /nfs/dbraw/zinc/47/59/25/1015475925.db2.gz UMMVRISHFFWJAP-LJQANCHMSA-N 1 3 358.461 2.695 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001033839508 989753503 /nfs/dbraw/zinc/75/35/03/989753503.db2.gz SRBXZQUCXYLEBD-NSISKUIASA-N 1 3 368.525 2.931 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001033839508 989753505 /nfs/dbraw/zinc/75/35/05/989753505.db2.gz SRBXZQUCXYLEBD-NSISKUIASA-N 1 3 368.525 2.931 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)s1 ZINC001085196718 989912879 /nfs/dbraw/zinc/91/28/79/989912879.db2.gz KYEGIOJCDJVKLL-KURKYZTESA-N 1 3 364.559 2.841 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc4c(c3)COC4)C2)CC[N@@H+]1C ZINC001034214228 989968748 /nfs/dbraw/zinc/96/87/48/989968748.db2.gz JIOYFKZSMZWQQY-MAODMQOUSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc4c(c3)COC4)C2)CC[N@H+]1C ZINC001034214228 989968752 /nfs/dbraw/zinc/96/87/52/989968752.db2.gz JIOYFKZSMZWQQY-MAODMQOUSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000675120268 990061743 /nfs/dbraw/zinc/06/17/43/990061743.db2.gz WVSCSRDYNWGEQH-OPYAIIAOSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000675120268 990061746 /nfs/dbraw/zinc/06/17/46/990061746.db2.gz WVSCSRDYNWGEQH-OPYAIIAOSA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000675200677 990108502 /nfs/dbraw/zinc/10/85/02/990108502.db2.gz VRVHJTLWYFLPSU-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652362704 1015540194 /nfs/dbraw/zinc/54/01/94/1015540194.db2.gz NEVDJKURRCGICQ-HBMCJLEFSA-N 1 3 373.541 2.933 20 0 FFADHO C[C@H](CNC(=O)N(CCc1ccccc1)CCN(C)C)C[NH+]1CCCC1 ZINC000918222419 990361269 /nfs/dbraw/zinc/36/12/69/990361269.db2.gz FDGZQTXSVOWJEA-LJQANCHMSA-N 1 3 360.546 2.534 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C3CCN(C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000675882900 990412932 /nfs/dbraw/zinc/41/29/32/990412932.db2.gz UVXKJFPYEZTLGO-HSZRJFAPSA-N 1 3 371.569 2.927 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000920309670 990829494 /nfs/dbraw/zinc/82/94/94/990829494.db2.gz KFNOXYDGCHHJQR-VQTJNVASSA-N 1 3 372.582 2.742 20 0 FFADHO S=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000920309670 990829504 /nfs/dbraw/zinc/82/95/04/990829504.db2.gz KFNOXYDGCHHJQR-VQTJNVASSA-N 1 3 372.582 2.742 20 0 FFADHO COc1cc(CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)ccc1OC(F)F ZINC000923302061 991048651 /nfs/dbraw/zinc/04/86/51/991048651.db2.gz PWYUHVCMFGQLEV-HNNXBMFYSA-N 1 3 368.424 2.640 20 0 FFADHO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[C@H](CC[NH3+])C1 ZINC000923493444 991187275 /nfs/dbraw/zinc/18/72/75/991187275.db2.gz UXTLJDRNWHFSKX-MSOLQXFVSA-N 1 3 351.494 2.951 20 0 FFADHO Cc1cccn2c(=O)cc(CN3CCC([C@@H]4CCC[NH2+]CC4)CC3)nc12 ZINC000923502798 991188229 /nfs/dbraw/zinc/18/82/29/991188229.db2.gz BEIFUXBIVJRSOL-QGZVFWFLSA-N 1 3 354.498 2.605 20 0 FFADHO C[C@H]1CN(CC(=O)NCc2ccccc2OC2CCCC2)CC[C@H]1C[NH3+] ZINC000923497184 991189640 /nfs/dbraw/zinc/18/96/40/991189640.db2.gz GLMIAZJRRQDCKX-IRXDYDNUSA-N 1 3 359.514 2.541 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379681876 991578317 /nfs/dbraw/zinc/57/83/17/991578317.db2.gz UKVPUQAWVJNIBT-DZFGPLHGSA-N 1 3 351.494 2.726 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379681876 991578323 /nfs/dbraw/zinc/57/83/23/991578323.db2.gz UKVPUQAWVJNIBT-DZFGPLHGSA-N 1 3 351.494 2.726 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccccc1F ZINC001079299067 991988243 /nfs/dbraw/zinc/98/82/43/991988243.db2.gz VISWMEZQYCFUDR-SXLOBPIMSA-N 1 3 363.521 2.952 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C ZINC001079687718 992311827 /nfs/dbraw/zinc/31/18/27/992311827.db2.gz UDKFIRMJVKDEBF-BHIYHBOVSA-N 1 3 363.571 2.990 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C ZINC001079687718 992311832 /nfs/dbraw/zinc/31/18/32/992311832.db2.gz UDKFIRMJVKDEBF-BHIYHBOVSA-N 1 3 363.571 2.990 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188674 992806538 /nfs/dbraw/zinc/80/65/38/992806538.db2.gz PDNYZKAWOPDUGP-AHRSYUTCSA-N 1 3 359.558 2.878 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188674 992806547 /nfs/dbraw/zinc/80/65/47/992806547.db2.gz PDNYZKAWOPDUGP-AHRSYUTCSA-N 1 3 359.558 2.878 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC001107042223 993295497 /nfs/dbraw/zinc/29/54/97/993295497.db2.gz BHRGHBPIABCZQO-KFWWJZLASA-N 1 3 364.361 2.595 20 0 FFADHO C[C@@H]1CN(CCC(=O)N2CCc3ccccc3C2)CCN1c1cc[nH+]cc1 ZINC000880261590 1015792676 /nfs/dbraw/zinc/79/26/76/1015792676.db2.gz XFFNDYWWGCPVQT-GOSISDBHSA-N 1 3 364.493 2.567 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1c1ccccc1 ZINC001081230129 993768361 /nfs/dbraw/zinc/76/83/61/993768361.db2.gz QDXWDVGMDHZPRD-LEWJYISDSA-N 1 3 351.494 2.966 20 0 FFADHO O[C@@H]1c2ccccc2OC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000808452634 994122807 /nfs/dbraw/zinc/12/28/07/994122807.db2.gz NAKASNSSIODSPY-RBBKRZOGSA-N 1 3 368.477 2.745 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131583048 994428796 /nfs/dbraw/zinc/42/87/96/994428796.db2.gz MNXGZOCYEBCVKM-HVXOQWJHSA-N 1 3 365.562 2.670 20 0 FFADHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(CC)CC)CC1 ZINC001131596967 994444414 /nfs/dbraw/zinc/44/44/14/994444414.db2.gz DDXQFORNFVDLKA-CTNGQTDRSA-N 1 3 367.578 2.750 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608687 994455495 /nfs/dbraw/zinc/45/54/95/994455495.db2.gz LCSIPUJTPMSDCJ-MHVQWJQTSA-N 1 3 365.562 2.669 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(C)ccc3OC)C2)CC[N@@H+]1C ZINC001082522447 994815817 /nfs/dbraw/zinc/81/58/17/994815817.db2.gz ITPHRJOOLGROTD-GSEOLPGOSA-N 1 3 373.541 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3cc(C)ccc3OC)C2)CC[N@H+]1C ZINC001082522447 994815823 /nfs/dbraw/zinc/81/58/23/994815823.db2.gz ITPHRJOOLGROTD-GSEOLPGOSA-N 1 3 373.541 2.670 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001082557685 994928465 /nfs/dbraw/zinc/92/84/65/994928465.db2.gz ZGQJKAMSKAMKGY-DBXWQHBBSA-N 1 3 369.553 2.712 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558143 994929864 /nfs/dbraw/zinc/92/98/64/994929864.db2.gz AYCLHYFCKIUAQK-QWFCFKBJSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082558143 994929871 /nfs/dbraw/zinc/92/98/71/994929871.db2.gz AYCLHYFCKIUAQK-QWFCFKBJSA-N 1 3 358.530 2.589 20 0 FFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001082559392 994933086 /nfs/dbraw/zinc/93/30/86/994933086.db2.gz DHUSHQYRRMIVRH-HBGVWJBISA-N 1 3 357.542 2.916 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC001082561887 994943838 /nfs/dbraw/zinc/94/38/38/994943838.db2.gz XZDRZXVDJYZUIB-PJIJBLCYSA-N 1 3 365.468 2.947 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086695253 995154372 /nfs/dbraw/zinc/15/43/72/995154372.db2.gz IRZBRWRBOFGAIO-DFQSSKMNSA-N 1 3 358.530 2.637 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC001086700856 995328949 /nfs/dbraw/zinc/32/89/49/995328949.db2.gz PRFRDRDYQXCYPQ-VVLHAWIVSA-N 1 3 364.559 2.556 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3nc(C)cs3)C2)CC[N@H+]1C ZINC001086700856 995328956 /nfs/dbraw/zinc/32/89/56/995328956.db2.gz PRFRDRDYQXCYPQ-VVLHAWIVSA-N 1 3 364.559 2.556 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001082724278 995360450 /nfs/dbraw/zinc/36/04/50/995360450.db2.gz UUWJRLWTSWRGTP-ZTFGCOKTSA-N 1 3 351.922 2.863 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001082741404 995395677 /nfs/dbraw/zinc/39/56/77/995395677.db2.gz ZZGJHUJJRJDIBR-QWQRMKEZSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3cccc(Cl)c3F)C2)C1 ZINC001082742029 995398752 /nfs/dbraw/zinc/39/87/52/995398752.db2.gz OAZBMUYJBYLHBS-CKEIUWERSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3cccc(Cl)c3F)C2)C1 ZINC001082742029 995398758 /nfs/dbraw/zinc/39/87/58/995398758.db2.gz OAZBMUYJBYLHBS-CKEIUWERSA-N 1 3 367.896 2.757 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782728 995489309 /nfs/dbraw/zinc/48/93/09/995489309.db2.gz NHVHWQFQRGLZGP-DJIMGWMZSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782602 995489376 /nfs/dbraw/zinc/48/93/76/995489376.db2.gz HJQOLJDDRFGIEM-RLLQIKCJSA-N 1 3 358.530 2.589 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1)[NH+]1CCCCC1 ZINC001082944018 995882738 /nfs/dbraw/zinc/88/27/38/995882738.db2.gz ZFOWLRAERAJOSX-KBAYOESNSA-N 1 3 364.559 2.590 20 0 FFADHO COc1cccc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001049481683 1016008363 /nfs/dbraw/zinc/00/83/63/1016008363.db2.gz JCNGDDLMQCZMAU-DBOLQNLKSA-N 1 3 371.525 2.601 20 0 FFADHO COc1cccc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001049481683 1016008372 /nfs/dbraw/zinc/00/83/72/1016008372.db2.gz JCNGDDLMQCZMAU-DBOLQNLKSA-N 1 3 371.525 2.601 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)[C@H]2C1 ZINC000679376852 1016027298 /nfs/dbraw/zinc/02/72/98/1016027298.db2.gz IXENFCZHDLHGSW-NJYVYQBISA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)[C@H]2C1 ZINC000679376852 1016027303 /nfs/dbraw/zinc/02/73/03/1016027303.db2.gz IXENFCZHDLHGSW-NJYVYQBISA-N 1 3 370.541 2.949 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]3C2)c1 ZINC001084429022 996528537 /nfs/dbraw/zinc/52/85/37/996528537.db2.gz HMUOOVSEASRCHW-NRSPTQNISA-N 1 3 357.542 2.922 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]3C2)c1 ZINC001084429022 996528541 /nfs/dbraw/zinc/52/85/41/996528541.db2.gz HMUOOVSEASRCHW-NRSPTQNISA-N 1 3 357.542 2.922 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21 ZINC001084545631 996665179 /nfs/dbraw/zinc/66/51/79/996665179.db2.gz RTDIYYZRYMHIGC-NJYVYQBISA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001084545631 996665186 /nfs/dbraw/zinc/66/51/86/996665186.db2.gz RTDIYYZRYMHIGC-NJYVYQBISA-N 1 3 359.558 2.974 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]3C2)c(C)c1 ZINC001084639004 996744149 /nfs/dbraw/zinc/74/41/49/996744149.db2.gz AFMFVVFVUVUJKP-NJDAHSKKSA-N 1 3 357.542 2.922 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CC[N@H+](CCCc4ccsc4)C[C@H]32)C1 ZINC001084662670 996775204 /nfs/dbraw/zinc/77/52/04/996775204.db2.gz SWLBEABXBRUZTD-BHIYHBOVSA-N 1 3 361.555 2.555 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3CC[N@@H+](CCCc4ccsc4)C[C@H]32)C1 ZINC001084662670 996775209 /nfs/dbraw/zinc/77/52/09/996775209.db2.gz SWLBEABXBRUZTD-BHIYHBOVSA-N 1 3 361.555 2.555 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000824081433 996791118 /nfs/dbraw/zinc/79/11/18/996791118.db2.gz WHWNDHDDJYWDEE-RXVVDRJESA-N 1 3 374.525 2.594 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCN(CCc4ccccc4)C[C@H]32)CC1 ZINC001084752181 997197768 /nfs/dbraw/zinc/19/77/68/997197768.db2.gz YFGOUVMXDIYOAH-FGZHOGPDSA-N 1 3 369.553 2.882 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001084775939 997285531 /nfs/dbraw/zinc/28/55/31/997285531.db2.gz ZSNAGXUILBIQKO-NJDAHSKKSA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001084775939 997285542 /nfs/dbraw/zinc/28/55/42/997285542.db2.gz ZSNAGXUILBIQKO-NJDAHSKKSA-N 1 3 355.526 2.624 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC(C)C)C1)N(C)C ZINC001090880700 997598621 /nfs/dbraw/zinc/59/86/21/997598621.db2.gz GAPVCMGKOSKLOD-ZCNNSNEGSA-N 1 3 361.530 2.575 20 0 FFADHO CN1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000731041770 997639887 /nfs/dbraw/zinc/63/98/87/997639887.db2.gz VEOMMFPKVIVNHN-QGZVFWFLSA-N 1 3 354.498 2.503 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21)[NH+]1CCCC1 ZINC001084853113 997666412 /nfs/dbraw/zinc/66/64/12/997666412.db2.gz IKWNASGSSZPITB-YPAWHYETSA-N 1 3 369.553 2.882 20 0 FFADHO COc1cccc(CN(C[C@H]2CCCO2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903727305 1016157316 /nfs/dbraw/zinc/15/73/16/1016157316.db2.gz SBNHHICQARZFAO-RTWAWAEBSA-N 1 3 374.525 2.835 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)OC[C@@H]3CC[N@H+](C)[C@@H]3C)cc2)CC1 ZINC000845817683 998665215 /nfs/dbraw/zinc/66/52/15/998665215.db2.gz JJSAIRRXUUZVSX-MJGOQNOKSA-N 1 3 359.514 2.714 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)OC[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2)CC1 ZINC000845817683 998665218 /nfs/dbraw/zinc/66/52/18/998665218.db2.gz JJSAIRRXUUZVSX-MJGOQNOKSA-N 1 3 359.514 2.714 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCc3ccccc3)[C@H]2C1)N(C)C ZINC001085024811 998703226 /nfs/dbraw/zinc/70/32/26/998703226.db2.gz FVEVPSXANVCQJF-QHAWAJNXSA-N 1 3 357.542 2.738 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCc3ccccc3)[C@H]2C1)N(C)C ZINC001085024811 998703229 /nfs/dbraw/zinc/70/32/29/998703229.db2.gz FVEVPSXANVCQJF-QHAWAJNXSA-N 1 3 357.542 2.738 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033308 998724461 /nfs/dbraw/zinc/72/44/61/998724461.db2.gz ZUWLLMKYSYBBFD-UWVAXJGDSA-N 1 3 353.526 2.778 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033308 998724466 /nfs/dbraw/zinc/72/44/66/998724466.db2.gz ZUWLLMKYSYBBFD-UWVAXJGDSA-N 1 3 353.526 2.778 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001085067008 998832692 /nfs/dbraw/zinc/83/26/92/998832692.db2.gz GRQKHXXUXMHSLL-NEWSRXKRSA-N 1 3 353.526 2.778 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1)N1CCCCC1 ZINC001085198309 999141908 /nfs/dbraw/zinc/14/19/08/999141908.db2.gz NAKPPSUBIPJGTN-GUDVDZBRSA-N 1 3 365.562 2.695 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC001085217647 999184536 /nfs/dbraw/zinc/18/45/36/999184536.db2.gz KRQAXDARFAFVAM-BRWVUGGUSA-N 1 3 350.532 2.535 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001085295323 999312397 /nfs/dbraw/zinc/31/23/97/999312397.db2.gz AUPWYENCHJGCJC-QZTJIDSGSA-N 1 3 362.518 2.683 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085306851 999331352 /nfs/dbraw/zinc/33/13/52/999331352.db2.gz UJTHATVCGOETJU-CGTJXYLNSA-N 1 3 364.559 2.782 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085306851 999331357 /nfs/dbraw/zinc/33/13/57/999331357.db2.gz UJTHATVCGOETJU-CGTJXYLNSA-N 1 3 364.559 2.782 20 0 FFADHO C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001085395533 999452202 /nfs/dbraw/zinc/45/22/02/999452202.db2.gz QGFLVLPUNYIZJN-ATZDWAIDSA-N 1 3 359.489 3.000 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC001086090069 999759291 /nfs/dbraw/zinc/75/92/91/999759291.db2.gz FWWDGBSNDYLYQA-LUYZLQTOSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC001086090069 999759292 /nfs/dbraw/zinc/75/92/92/999759292.db2.gz FWWDGBSNDYLYQA-LUYZLQTOSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cc(Cl)ccc3F)C2)CC[N@@H+]1C ZINC001086090882 999761631 /nfs/dbraw/zinc/76/16/31/999761631.db2.gz VXRAYHRKTFSWHJ-UTJXIGIESA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cc(Cl)ccc3F)C2)CC[N@H+]1C ZINC001086090882 999761633 /nfs/dbraw/zinc/76/16/33/999761633.db2.gz VXRAYHRKTFSWHJ-UTJXIGIESA-N 1 3 367.896 2.804 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C2 ZINC001169116986 1000022622 /nfs/dbraw/zinc/02/26/22/1000022622.db2.gz VLFMASOTXMUQOR-YVSFHVDLSA-N 1 3 367.534 2.616 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1)C2 ZINC001169116986 1000022623 /nfs/dbraw/zinc/02/26/23/1000022623.db2.gz VLFMASOTXMUQOR-YVSFHVDLSA-N 1 3 367.534 2.616 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C1)C2 ZINC001169141325 1000026909 /nfs/dbraw/zinc/02/69/09/1000026909.db2.gz XAHZMIUIGFKQKA-WVXKDWSHSA-N 1 3 357.498 2.709 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C1)C2 ZINC001169141325 1000026911 /nfs/dbraw/zinc/02/69/11/1000026911.db2.gz XAHZMIUIGFKQKA-WVXKDWSHSA-N 1 3 357.498 2.709 20 0 FFADHO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153945 1000028327 /nfs/dbraw/zinc/02/83/27/1000028327.db2.gz MUBOZFJHBQMYJW-CLAROIROSA-N 1 3 357.542 2.835 20 0 FFADHO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153945 1000028329 /nfs/dbraw/zinc/02/83/29/1000028329.db2.gz MUBOZFJHBQMYJW-CLAROIROSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153945 1000028331 /nfs/dbraw/zinc/02/83/31/1000028331.db2.gz MUBOZFJHBQMYJW-CLAROIROSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153945 1000028334 /nfs/dbraw/zinc/02/83/34/1000028334.db2.gz MUBOZFJHBQMYJW-CLAROIROSA-N 1 3 357.542 2.835 20 0 FFADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000768103529 1000181817 /nfs/dbraw/zinc/18/18/17/1000181817.db2.gz GILSGWFMXMRKQF-FQEVSTJZSA-N 1 3 373.541 2.995 20 0 FFADHO Cc1ccc(N2CCC[C@H](N3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)C2=O)cc1 ZINC000846224980 1000235130 /nfs/dbraw/zinc/23/51/30/1000235130.db2.gz HAJGOQMRWZGDNM-QIJZPMMNSA-N 1 3 371.525 2.709 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccc(CF)cc3)CC2)CC[N@@H+]1C ZINC001000699489 1016439585 /nfs/dbraw/zinc/43/95/85/1016439585.db2.gz GSDMDASPBIWBOZ-OXQOHEQNSA-N 1 3 359.489 2.745 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccc(CF)cc3)CC2)CC[N@H+]1C ZINC001000699489 1016439591 /nfs/dbraw/zinc/43/95/91/1016439591.db2.gz GSDMDASPBIWBOZ-OXQOHEQNSA-N 1 3 359.489 2.745 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091737698 1001183726 /nfs/dbraw/zinc/18/37/26/1001183726.db2.gz HSERLQGATLFDNY-URVUXULASA-N 1 3 355.526 2.616 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1 ZINC001091737698 1001183729 /nfs/dbraw/zinc/18/37/29/1001183729.db2.gz HSERLQGATLFDNY-URVUXULASA-N 1 3 355.526 2.616 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001086883117 1001300653 /nfs/dbraw/zinc/30/06/53/1001300653.db2.gz OAYLUYSVQGCASI-FXAWDEMLSA-N 1 3 366.509 2.832 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC001086882958 1001300819 /nfs/dbraw/zinc/30/08/19/1001300819.db2.gz XNWZSJAGMFSIST-NSHGMRRFSA-N 1 3 358.530 2.639 20 0 FFADHO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)CN2CCCC2)CC1 ZINC000772378626 1001379774 /nfs/dbraw/zinc/37/97/74/1001379774.db2.gz NQCWEROAPVNMLC-GOSISDBHSA-N 1 3 356.514 2.692 20 0 FFADHO Cc1csc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CN(C)C(C)C)C3)n1 ZINC001112586086 1001538130 /nfs/dbraw/zinc/53/81/30/1001538130.db2.gz GOGDOODZGXPOTR-LPHOPBHVSA-N 1 3 364.559 2.510 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001095499127 1016512515 /nfs/dbraw/zinc/51/25/15/1016512515.db2.gz RIFDSXPTAZRJNN-BVBHFADKSA-N 1 3 361.555 2.887 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001095499127 1016512530 /nfs/dbraw/zinc/51/25/30/1016512530.db2.gz RIFDSXPTAZRJNN-BVBHFADKSA-N 1 3 361.555 2.887 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@@]2(C)C1)N(C)C ZINC001091782975 1001909095 /nfs/dbraw/zinc/90/90/95/1001909095.db2.gz OEGLYHFRZOKTHJ-QFUCXCTJSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@@]2(C)C1)N(C)C ZINC001091782975 1001909100 /nfs/dbraw/zinc/90/91/00/1001909100.db2.gz OEGLYHFRZOKTHJ-QFUCXCTJSA-N 1 3 361.505 2.755 20 0 FFADHO CNC(=O)[C@@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182470695 1001926562 /nfs/dbraw/zinc/92/65/62/1001926562.db2.gz QMVBJBQSSVINKZ-KNQAVFIVSA-N 1 3 357.542 2.993 20 0 FFADHO CNC(=O)[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182470695 1001926568 /nfs/dbraw/zinc/92/65/68/1001926568.db2.gz QMVBJBQSSVINKZ-KNQAVFIVSA-N 1 3 357.542 2.993 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c1 ZINC001092010535 1002278075 /nfs/dbraw/zinc/27/80/75/1002278075.db2.gz GQOAXWGSXQRXES-DWLFOUALSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c1 ZINC001092010535 1002278082 /nfs/dbraw/zinc/27/80/82/1002278082.db2.gz GQOAXWGSXQRXES-DWLFOUALSA-N 1 3 355.526 2.617 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001092022777 1002300939 /nfs/dbraw/zinc/30/09/39/1002300939.db2.gz DWJHQCILEHKCBC-LBUIRZMLSA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001092022777 1002300953 /nfs/dbraw/zinc/30/09/53/1002300953.db2.gz DWJHQCILEHKCBC-LBUIRZMLSA-N 1 3 355.526 2.820 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC001092050394 1002321120 /nfs/dbraw/zinc/32/11/20/1002321120.db2.gz UCFYGLJUHRYXCP-DAYGRLMNSA-N 1 3 366.456 2.558 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC001092050394 1002321129 /nfs/dbraw/zinc/32/11/29/1002321129.db2.gz UCFYGLJUHRYXCP-DAYGRLMNSA-N 1 3 366.456 2.558 20 0 FFADHO COC(=O)/C=C/c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000827011209 1016622427 /nfs/dbraw/zinc/62/24/27/1016622427.db2.gz GCNZQGGXCDSPSM-SNAWJCMRSA-N 1 3 369.465 2.863 20 0 FFADHO c1[nH]nc2c1[C@@H]([NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CCC2 ZINC000796697889 1003473548 /nfs/dbraw/zinc/47/35/48/1003473548.db2.gz ZPKINXUZNNNCHV-NRFANRHFSA-N 1 3 367.541 2.975 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775486862 1003967517 /nfs/dbraw/zinc/96/75/17/1003967517.db2.gz FROBRVDJGBHINX-FXAWDEMLSA-N 1 3 362.481 2.663 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCCCF)c2ccccc2OC)CC[N@@H+]1C ZINC001198740409 1004718955 /nfs/dbraw/zinc/71/89/55/1004718955.db2.gz FJLJBVOICGWTJM-RCCFBDPRSA-N 1 3 365.493 2.532 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCCCF)c2ccccc2OC)CC[N@H+]1C ZINC001198740409 1004718959 /nfs/dbraw/zinc/71/89/59/1004718959.db2.gz FJLJBVOICGWTJM-RCCFBDPRSA-N 1 3 365.493 2.532 20 0 FFADHO Cc1cc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)on1 ZINC001488953836 1005385158 /nfs/dbraw/zinc/38/51/58/1005385158.db2.gz HASDTEKWQDMTNK-FGTMMUONSA-N 1 3 362.518 2.622 20 0 FFADHO CC(C)C[C@H](N[C@H](C)c1ccc2c(c1)CCCO2)C(=O)NCC[NH+](C)C ZINC000850454071 1005816523 /nfs/dbraw/zinc/81/65/23/1005816523.db2.gz SFKRCQVOGPEERR-APWZRJJASA-N 1 3 361.530 2.755 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000129033769 1006111924 /nfs/dbraw/zinc/11/19/24/1006111924.db2.gz RXCUMEUVKYTROP-UHFFFAOYSA-N 1 3 374.916 2.778 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CC[NH+](C)CC2)C3)cc1 ZINC001097975944 1017028170 /nfs/dbraw/zinc/02/81/70/1017028170.db2.gz KRHGPBLQIUJVBK-NJYVYQBISA-N 1 3 355.526 2.948 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000678286263 1017030252 /nfs/dbraw/zinc/03/02/52/1017030252.db2.gz LWPKHBSPIXREML-JOCHJYFZSA-N 1 3 374.525 2.931 20 0 FFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(Cc3ccc4ncccc4c3)C[C@H]21 ZINC001188978970 1006857743 /nfs/dbraw/zinc/85/77/43/1006857743.db2.gz IDPHVMNUUCUTDE-PZJWPPBQSA-N 1 3 366.509 2.609 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCOC3CCCCCC3)C[C@H]21 ZINC001189667738 1007197041 /nfs/dbraw/zinc/19/70/41/1007197041.db2.gz IWFVZUGGZCHHEL-AZUAARDMSA-N 1 3 365.562 2.600 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCOC3CCCCCC3)C[C@H]21 ZINC001189667738 1007197048 /nfs/dbraw/zinc/19/70/48/1007197048.db2.gz IWFVZUGGZCHHEL-AZUAARDMSA-N 1 3 365.562 2.600 20 0 FFADHO COc1ccc2oc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2c1 ZINC000855345514 1007293211 /nfs/dbraw/zinc/29/32/11/1007293211.db2.gz CGGZVFSXSOIBTB-AWEZNQCLSA-N 1 3 361.486 2.752 20 0 FFADHO COc1ccc2oc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2c1 ZINC000855345514 1007293217 /nfs/dbraw/zinc/29/32/17/1007293217.db2.gz CGGZVFSXSOIBTB-AWEZNQCLSA-N 1 3 361.486 2.752 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001189891570 1007359792 /nfs/dbraw/zinc/35/97/92/1007359792.db2.gz STUAVAPAEBQBSK-VQTJNVASSA-N 1 3 361.505 2.921 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001189891570 1007359804 /nfs/dbraw/zinc/35/98/04/1007359804.db2.gz STUAVAPAEBQBSK-VQTJNVASSA-N 1 3 361.505 2.921 20 0 FFADHO C[C@@](O)(CNC1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC001205531141 1007668323 /nfs/dbraw/zinc/66/83/23/1007668323.db2.gz XSXJCZNBBAPSKG-QGZVFWFLSA-N 1 3 353.304 2.873 20 0 FFADHO CCC[NH+]1CCC(NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818160802 1007872910 /nfs/dbraw/zinc/87/29/10/1007872910.db2.gz NMGNCENCLNPRCZ-HXUWFJFHSA-N 1 3 369.550 2.603 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001086820047 1007897084 /nfs/dbraw/zinc/89/70/84/1007897084.db2.gz NIACBSBHDHOQNI-JZXOWHBKSA-N 1 3 364.559 2.781 20 0 FFADHO Cc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086820254 1007899498 /nfs/dbraw/zinc/89/94/98/1007899498.db2.gz WDLOEWJNBGTIOE-UHOSZYNNSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1ncc(CN[C@@H]2CC[C@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)o1 ZINC001086829617 1008206150 /nfs/dbraw/zinc/20/61/50/1008206150.db2.gz IHBULEDUZPFOBQ-PKOBYXMFSA-N 1 3 370.497 2.733 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1CCN(Cc2ccccn2)CC1 ZINC001177212577 1008517878 /nfs/dbraw/zinc/51/78/78/1008517878.db2.gz BOOCPLKIEYYENZ-SFHVURJKSA-N 1 3 358.530 2.530 20 0 FFADHO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)N(Cc1ccccc1)C3)CC2 ZINC000886520619 1008714325 /nfs/dbraw/zinc/71/43/25/1008714325.db2.gz INQPNHXVRVKSPD-MUGJNUQGSA-N 1 3 351.498 2.544 20 0 FFADHO CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886594473 1008762094 /nfs/dbraw/zinc/76/20/94/1008762094.db2.gz NDMJTTDAHNQNJD-NMLBUPMWSA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886594473 1008762105 /nfs/dbraw/zinc/76/21/05/1008762105.db2.gz NDMJTTDAHNQNJD-NMLBUPMWSA-N 1 3 357.498 2.860 20 0 FFADHO CCOC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886594473 1008762118 /nfs/dbraw/zinc/76/21/18/1008762118.db2.gz NDMJTTDAHNQNJD-NMLBUPMWSA-N 1 3 357.498 2.860 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC/C=C\c1ccccc1 ZINC001178203225 1008904935 /nfs/dbraw/zinc/90/49/35/1008904935.db2.gz BPGOSFCRLVPAAB-GUSDMMFLSA-N 1 3 351.494 2.579 20 0 FFADHO Cn1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c(-c2ccccc2)n1 ZINC001178169747 1008911651 /nfs/dbraw/zinc/91/16/51/1008911651.db2.gz AOULBXGXPXVYFO-UXHICEINSA-N 1 3 354.498 2.555 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCCCCNCc2nccs2)CC[N@@H+]1C ZINC001178522734 1009017225 /nfs/dbraw/zinc/01/72/25/1009017225.db2.gz PEGURBNCKLDNOG-JKSUJKDBSA-N 1 3 352.548 2.640 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCCCCNCc2nccs2)CC[N@H+]1C ZINC001178522734 1009017238 /nfs/dbraw/zinc/01/72/38/1009017238.db2.gz PEGURBNCKLDNOG-JKSUJKDBSA-N 1 3 352.548 2.640 20 0 FFADHO Cc1cnc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001178522614 1009017779 /nfs/dbraw/zinc/01/77/79/1009017779.db2.gz NAGVYNPLFDRBAE-HZPDHXFCSA-N 1 3 352.548 2.558 20 0 FFADHO Cc1cnc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001178522614 1009017795 /nfs/dbraw/zinc/01/77/95/1009017795.db2.gz NAGVYNPLFDRBAE-HZPDHXFCSA-N 1 3 352.548 2.558 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1)N1CCCC1 ZINC001180579991 1009734251 /nfs/dbraw/zinc/73/42/51/1009734251.db2.gz UILMRXRRNAGIDL-JYRKZWEQSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1)N1CCCC1 ZINC001180579991 1009734260 /nfs/dbraw/zinc/73/42/60/1009734260.db2.gz UILMRXRRNAGIDL-JYRKZWEQSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)C[N@H+](C)C1CCCC1)[C@@H]2C ZINC001180627541 1009774663 /nfs/dbraw/zinc/77/46/63/1009774663.db2.gz IDOGZJIANRJNRY-MRXNPFEDSA-N 1 3 361.534 2.501 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)C[N@@H+](C)C1CCCC1)[C@@H]2C ZINC001180627541 1009774674 /nfs/dbraw/zinc/77/46/74/1009774674.db2.gz IDOGZJIANRJNRY-MRXNPFEDSA-N 1 3 361.534 2.501 20 0 FFADHO Cc1cnc([C@H](C)[N@H+]2C[C@@H](CNC(=O)c3cnccc3N(C)C)[C@H](C)C2)o1 ZINC001093136912 1009980428 /nfs/dbraw/zinc/98/04/28/1009980428.db2.gz DKYBOHAFDWHBQN-VNQPRFMTSA-N 1 3 371.485 2.503 20 0 FFADHO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)c3cnccc3N(C)C)[C@H](C)C2)o1 ZINC001093136912 1009980440 /nfs/dbraw/zinc/98/04/40/1009980440.db2.gz DKYBOHAFDWHBQN-VNQPRFMTSA-N 1 3 371.485 2.503 20 0 FFADHO CN1CCN(CC[NH2+]CCc2cccc(OC(F)(F)F)c2)CC1(C)C ZINC001181196504 1010011997 /nfs/dbraw/zinc/01/19/97/1010011997.db2.gz PYJBXFSEHRUCSI-UHFFFAOYSA-N 1 3 359.436 2.743 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000863218036 1010130328 /nfs/dbraw/zinc/13/03/28/1010130328.db2.gz NCZCOAYOAJUCJD-LJQANCHMSA-N 1 3 374.598 2.847 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000863218036 1010130334 /nfs/dbraw/zinc/13/03/34/1010130334.db2.gz NCZCOAYOAJUCJD-LJQANCHMSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863544960 1010250257 /nfs/dbraw/zinc/25/02/57/1010250257.db2.gz FZEUHJFMEJAOBV-IKGGRYGDSA-N 1 3 357.498 2.962 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001095405159 1010452347 /nfs/dbraw/zinc/45/23/47/1010452347.db2.gz NNWAQNHKHSJAGY-QZWWFDLISA-N 1 3 355.473 2.626 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001095405159 1010452353 /nfs/dbraw/zinc/45/23/53/1010452353.db2.gz NNWAQNHKHSJAGY-QZWWFDLISA-N 1 3 355.473 2.626 20 0 FFADHO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2C[C@H]3[C@H](C2)CCCN3C)C1 ZINC001182319507 1010496608 /nfs/dbraw/zinc/49/66/08/1010496608.db2.gz UHDRJOPCOGCCLW-ACRUOGEOSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3[C@H](C2)CCCN3C)C1 ZINC001182319507 1010496615 /nfs/dbraw/zinc/49/66/15/1010496615.db2.gz UHDRJOPCOGCCLW-ACRUOGEOSA-N 1 3 355.526 2.760 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNCc2csc(C)n2)[C@H](C)C1 ZINC001093808651 1010584064 /nfs/dbraw/zinc/58/40/64/1010584064.db2.gz VLFXBAMXHVGRON-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNCc2csc(C)n2)[C@H](C)C1 ZINC001093808651 1010584071 /nfs/dbraw/zinc/58/40/71/1010584071.db2.gz VLFXBAMXHVGRON-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001093824293 1010594967 /nfs/dbraw/zinc/59/49/67/1010594967.db2.gz OJDQWAMNWLAARI-NSISKUIASA-N 1 3 361.574 2.981 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001093824323 1010595523 /nfs/dbraw/zinc/59/55/23/1010595523.db2.gz QCKSACDFQABWDW-HVETUWLQSA-N 1 3 369.553 2.700 20 0 FFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1 ZINC001094040942 1010803532 /nfs/dbraw/zinc/80/35/32/1010803532.db2.gz QQRLHDPAHGVLPD-DBXWQHBBSA-N 1 3 357.542 2.917 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC001094040788 1010803786 /nfs/dbraw/zinc/80/37/86/1010803786.db2.gz OVGUJGYLCVNKQD-BFYDXBDKSA-N 1 3 365.468 2.633 20 0 FFADHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110153876 1010877492 /nfs/dbraw/zinc/87/74/92/1010877492.db2.gz QBLKYBSXBYXKLA-HOJAQTOUSA-N 1 3 359.514 2.510 20 0 FFADHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110153876 1010877493 /nfs/dbraw/zinc/87/74/93/1010877493.db2.gz QBLKYBSXBYXKLA-HOJAQTOUSA-N 1 3 359.514 2.510 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ns2)[C@H](C)C1 ZINC001094243300 1010985924 /nfs/dbraw/zinc/98/59/24/1010985924.db2.gz VUGZKXJWFXDJJB-QGPMSJSTSA-N 1 3 364.559 2.510 20 0 FFADHO C[NH+]1CCC(C)(C(=O)N2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)CC1 ZINC001274402679 1011424169 /nfs/dbraw/zinc/42/41/69/1011424169.db2.gz WMESPUXBBBBEEK-OAQYLSRUSA-N 1 3 358.530 2.561 20 0 FFADHO CCCN(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000646266188 1011824342 /nfs/dbraw/zinc/82/43/42/1011824342.db2.gz VQNPOBJAIFCLOI-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221960824 1032586683 /nfs/dbraw/zinc/58/66/83/1032586683.db2.gz JJQFKKQJIDIUNB-FGZHOGPDSA-N 1 3 369.553 2.940 20 0 FFADHO COC(=O)N1CCC(N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172741767 1011980625 /nfs/dbraw/zinc/98/06/25/1011980625.db2.gz NYZQRXXXJXAKIK-RBUKOAKNSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC(N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172741767 1011980638 /nfs/dbraw/zinc/98/06/38/1011980638.db2.gz NYZQRXXXJXAKIK-RBUKOAKNSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172741767 1011980650 /nfs/dbraw/zinc/98/06/50/1011980650.db2.gz NYZQRXXXJXAKIK-RBUKOAKNSA-N 1 3 357.498 2.671 20 0 FFADHO COC(=O)N1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001172741767 1011980656 /nfs/dbraw/zinc/98/06/56/1011980656.db2.gz NYZQRXXXJXAKIK-RBUKOAKNSA-N 1 3 357.498 2.671 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCC[C@H](C(=O)OC)CC2)CC1 ZINC001172796328 1012012834 /nfs/dbraw/zinc/01/28/34/1012012834.db2.gz MSXGGKXPBAUVNQ-YQVWRLOYSA-N 1 3 352.519 2.684 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCC[C@H](C(=O)OC)CC2)CC1 ZINC001172796328 1012012845 /nfs/dbraw/zinc/01/28/45/1012012845.db2.gz MSXGGKXPBAUVNQ-YQVWRLOYSA-N 1 3 352.519 2.684 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000096625413 1012207622 /nfs/dbraw/zinc/20/76/22/1012207622.db2.gz XLVJXHCICJWDTN-UHFFFAOYSA-N 1 3 358.530 2.887 20 0 FFADHO COc1cccc2c1C[C@H]([NH2+]CC1CCN(Cc3cccnc3)CC1)CO2 ZINC001173152066 1012297313 /nfs/dbraw/zinc/29/73/13/1012297313.db2.gz ZJMMBFISQBGSNE-IBGZPJMESA-N 1 3 367.493 2.896 20 0 FFADHO CCCN1C[C@@H]2C[N@H+](C3CCN(C(=O)c4ccc(OC)cc4)CC3)C[C@@H]2C1 ZINC001173412104 1012539834 /nfs/dbraw/zinc/53/98/34/1012539834.db2.gz ZBUNIHMFRNILDK-KDURUIRLSA-N 1 3 371.525 2.573 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+](C3CCN(C(=O)c4ccc(OC)cc4)CC3)C[C@@H]2C1 ZINC001173412104 1012539848 /nfs/dbraw/zinc/53/98/48/1012539848.db2.gz ZBUNIHMFRNILDK-KDURUIRLSA-N 1 3 371.525 2.573 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804229 1012587536 /nfs/dbraw/zinc/58/75/36/1012587536.db2.gz LTDYZLDIWOHZSJ-YQQAZPJKSA-N 1 3 371.447 2.717 20 0 FFADHO CNC(=O)[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Cc1ccc(C(F)(F)F)cc1 ZINC000647804229 1012587552 /nfs/dbraw/zinc/58/75/52/1012587552.db2.gz LTDYZLDIWOHZSJ-YQQAZPJKSA-N 1 3 371.447 2.717 20 0 FFADHO CCCOc1ccccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001275603455 1012678255 /nfs/dbraw/zinc/67/82/55/1012678255.db2.gz VOLFLRGKTFWJAC-RTBURBONSA-N 1 3 359.514 2.602 20 0 FFADHO CN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC001222012253 1032651140 /nfs/dbraw/zinc/65/11/40/1032651140.db2.gz ZPRLZCIFFUWXTF-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001222012253 1032651149 /nfs/dbraw/zinc/65/11/49/1032651149.db2.gz ZPRLZCIFFUWXTF-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CCCN(C)C1 ZINC001222012253 1032651154 /nfs/dbraw/zinc/65/11/54/1032651154.db2.gz ZPRLZCIFFUWXTF-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CCCOc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)c1 ZINC001095242109 1012819842 /nfs/dbraw/zinc/81/98/42/1012819842.db2.gz FZXWFGCZPYNRRR-HZEGPAAWSA-N 1 3 371.525 2.791 20 0 FFADHO CCCOc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)c1 ZINC001095242109 1012819850 /nfs/dbraw/zinc/81/98/50/1012819850.db2.gz FZXWFGCZPYNRRR-HZEGPAAWSA-N 1 3 371.525 2.791 20 0 FFADHO c1nnn([C@H]2CCC[C@@H]([NH2+][C@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)C2)n1 ZINC001173733070 1012923738 /nfs/dbraw/zinc/92/37/38/1012923738.db2.gz HZYXYEMXVSOAAP-LUYSREMJSA-N 1 3 366.513 2.657 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000924695801 1017425511 /nfs/dbraw/zinc/42/55/11/1017425511.db2.gz SXNUKLCASLEMIT-QGZVFWFLSA-N 1 3 354.498 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000925586078 1017796397 /nfs/dbraw/zinc/79/63/97/1017796397.db2.gz SGHBFQBSJIYGOU-WOUAJJJCSA-N 1 3 373.541 2.932 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)C[C@@H](C)O1 ZINC000925586079 1017796531 /nfs/dbraw/zinc/79/65/31/1017796531.db2.gz SGHBFQBSJIYGOU-XNFNUYLZSA-N 1 3 373.541 2.932 20 0 FFADHO Cc1c([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1-c1ccccc1 ZINC000925855073 1017876720 /nfs/dbraw/zinc/87/67/20/1017876720.db2.gz OFHDDWBUYWLCEM-CRAIPNDOSA-N 1 3 368.481 2.517 20 0 FFADHO CCN1CC[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)[C@H](C)C1 ZINC000926959875 1018307263 /nfs/dbraw/zinc/30/72/63/1018307263.db2.gz TWCCVZRTXTZIIJ-TZIWHRDSSA-N 1 3 359.558 2.988 20 0 FFADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 ZINC000926996107 1018316035 /nfs/dbraw/zinc/31/60/35/1018316035.db2.gz SJTXKUQBTFXVJT-HHVWOYCXSA-N 1 3 364.530 2.586 20 0 FFADHO Cc1ccc(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1 ZINC001110954752 1019186671 /nfs/dbraw/zinc/18/66/71/1019186671.db2.gz XWPHIVZXFNVGBH-AQNXPRMDSA-N 1 3 355.526 2.601 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)CC1 ZINC001096269505 1019751199 /nfs/dbraw/zinc/75/11/99/1019751199.db2.gz WEKRYLQZBUXDCX-SQNIBIBYSA-N 1 3 369.500 2.874 20 0 FFADHO CC1CCN([C@H](CNC(=O)COC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000930432941 1020033571 /nfs/dbraw/zinc/03/35/71/1020033571.db2.gz PWTJWBPTIMBFIU-OAQYLSRUSA-N 1 3 373.541 2.687 20 0 FFADHO CC(C)[NH+]1CCC(NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC000690620930 1020046725 /nfs/dbraw/zinc/04/67/25/1020046725.db2.gz QELUQYHRTVDMMT-KRWDZBQOSA-N 1 3 367.534 2.617 20 0 FFADHO O[C@H](COc1ccc2cc[nH]c2c1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806525 1020195633 /nfs/dbraw/zinc/19/56/33/1020195633.db2.gz RWFQXFIQBPSLSB-IBGZPJMESA-N 1 3 366.465 2.515 20 0 FFADHO CN(Cc1ccccc1)C[C@@H](C[NH+]1CCC(O)(CO)CC1)c1ccccc1 ZINC000930995830 1020275478 /nfs/dbraw/zinc/27/54/78/1020275478.db2.gz NFBYPTBXXOTQET-QFIPXVFZSA-N 1 3 368.521 2.721 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccnn3CCN(C)C)cc2)C1 ZINC000900242172 1020298662 /nfs/dbraw/zinc/29/86/62/1020298662.db2.gz MCMKJGHUZSKBRM-KRWDZBQOSA-N 1 3 369.513 2.929 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccnn3CCN(C)C)cc2)C1 ZINC000900242172 1020298669 /nfs/dbraw/zinc/29/86/69/1020298669.db2.gz MCMKJGHUZSKBRM-KRWDZBQOSA-N 1 3 369.513 2.929 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCc4ccc(F)cc42)C3)CC[N@@H+]1C ZINC001072752434 1020302292 /nfs/dbraw/zinc/30/22/92/1020302292.db2.gz KHEKINDDNZGRGV-ZTNFWEORSA-N 1 3 371.500 2.688 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN([C@H]2CCc4ccc(F)cc42)C3)CC[N@H+]1C ZINC001072752434 1020302299 /nfs/dbraw/zinc/30/22/99/1020302299.db2.gz KHEKINDDNZGRGV-ZTNFWEORSA-N 1 3 371.500 2.688 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCOC3CCCCCC3)C2)CC[N@@H+]1C ZINC001046329481 1020592362 /nfs/dbraw/zinc/59/23/62/1020592362.db2.gz QJUQWCJRXUCTEK-QFUCXCTJSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCOC3CCCCCC3)C2)CC[N@H+]1C ZINC001046329481 1020592364 /nfs/dbraw/zinc/59/23/64/1020592364.db2.gz QJUQWCJRXUCTEK-QFUCXCTJSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001046330429 1020594495 /nfs/dbraw/zinc/59/44/95/1020594495.db2.gz JFQQIWBVGBYGKU-ZVDOUQERSA-N 1 3 361.505 2.967 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001046330429 1020594500 /nfs/dbraw/zinc/59/45/00/1020594500.db2.gz JFQQIWBVGBYGKU-ZVDOUQERSA-N 1 3 361.505 2.967 20 0 FFADHO OCCOC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC(C(F)F)CC1 ZINC000903264063 1020768757 /nfs/dbraw/zinc/76/87/57/1020768757.db2.gz OVPBDDVXKVYSGL-GEIKADIQSA-N 1 3 372.500 2.937 20 0 FFADHO OCCOC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC(C(F)F)CC1 ZINC000903264063 1020768764 /nfs/dbraw/zinc/76/87/64/1020768764.db2.gz OVPBDDVXKVYSGL-GEIKADIQSA-N 1 3 372.500 2.937 20 0 FFADHO CC(C)[C@@H]1C[C@@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000933627996 1021053586 /nfs/dbraw/zinc/05/35/86/1021053586.db2.gz MRFOYYMGOLAHQM-OALUTQOASA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001111460449 1021158924 /nfs/dbraw/zinc/15/89/24/1021158924.db2.gz UVRJZFKRKNKZHH-RLLQIKCJSA-N 1 3 359.514 2.508 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218101038 1032993897 /nfs/dbraw/zinc/99/38/97/1032993897.db2.gz GZWJIQLMZRMXRO-HSALFYBXSA-N 1 3 365.562 2.741 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218101038 1032993905 /nfs/dbraw/zinc/99/39/05/1032993905.db2.gz GZWJIQLMZRMXRO-HSALFYBXSA-N 1 3 365.562 2.741 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)CC[N@@H+]1C ZINC001014482992 1021853766 /nfs/dbraw/zinc/85/37/66/1021853766.db2.gz JPEVZMUYQLLLRJ-MAODMQOUSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)CC[N@H+]1C ZINC001014482992 1021853780 /nfs/dbraw/zinc/85/37/80/1021853780.db2.gz JPEVZMUYQLLLRJ-MAODMQOUSA-N 1 3 355.526 2.985 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCCc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001014506880 1021882043 /nfs/dbraw/zinc/88/20/43/1021882043.db2.gz HTQCEGIKDIRTFP-HSALFYBXSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCCc3cccc(F)c3)C2)CC[N@H+]1C ZINC001014506880 1021882066 /nfs/dbraw/zinc/88/20/66/1021882066.db2.gz HTQCEGIKDIRTFP-HSALFYBXSA-N 1 3 361.505 2.679 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001099312968 1022276601 /nfs/dbraw/zinc/27/66/01/1022276601.db2.gz MAKDQATXSKDLTG-HZPDHXFCSA-N 1 3 370.419 2.822 20 0 FFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001099447163 1022540955 /nfs/dbraw/zinc/54/09/55/1022540955.db2.gz XGYKIBIOPZRGLE-UGKGYDQZSA-N 1 3 355.526 2.889 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001099453614 1022553709 /nfs/dbraw/zinc/55/37/09/1022553709.db2.gz PVIHCQRCJWCEIU-JZXOWHBKSA-N 1 3 357.489 2.590 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(C)cs2)C1)N(C)C ZINC001099496409 1022631147 /nfs/dbraw/zinc/63/11/47/1022631147.db2.gz BWGSKQUWYBYVAN-BXWFABGCSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)cc1F ZINC001099506860 1022647517 /nfs/dbraw/zinc/64/75/17/1022647517.db2.gz WWFBKPSFKHTKFH-UWJYYQICSA-N 1 3 370.472 2.818 20 0 FFADHO C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)c1ccccc1 ZINC001099507361 1022649131 /nfs/dbraw/zinc/64/91/31/1022649131.db2.gz GKTVSMDQFSTEJN-MDKPJZGXSA-N 1 3 352.482 2.932 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001111268875 1022872546 /nfs/dbraw/zinc/87/25/46/1022872546.db2.gz GISPVFIZPVVAAB-MKXGPGLRSA-N 1 3 353.551 2.645 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656270 1033094247 /nfs/dbraw/zinc/09/42/47/1033094247.db2.gz CZNHWLDGSVSGRZ-AABGKKOBSA-N 1 3 365.562 2.599 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656270 1033094256 /nfs/dbraw/zinc/09/42/56/1033094256.db2.gz CZNHWLDGSVSGRZ-AABGKKOBSA-N 1 3 365.562 2.599 20 0 FFADHO Brc1cccc(CCC[N@@H+]2CCNC[C@@]3(CCCCN3)C2)c1 ZINC001222666910 1033102828 /nfs/dbraw/zinc/10/28/28/1033102828.db2.gz BUCURIRQFFAHDS-SFHVURJKSA-N 1 3 366.347 2.799 20 0 FFADHO Brc1cccc(CCC[N@H+]2CCNC[C@@]3(CCCCN3)C2)c1 ZINC001222666910 1033102835 /nfs/dbraw/zinc/10/28/35/1033102835.db2.gz BUCURIRQFFAHDS-SFHVURJKSA-N 1 3 366.347 2.799 20 0 FFADHO Brc1cccc(CCCN2CC[NH2+]C[C@@]3(CCCCN3)C2)c1 ZINC001222666910 1033102841 /nfs/dbraw/zinc/10/28/41/1033102841.db2.gz BUCURIRQFFAHDS-SFHVURJKSA-N 1 3 366.347 2.799 20 0 FFADHO N[C@H](CC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccccc1 ZINC001122224953 1023126391 /nfs/dbraw/zinc/12/63/91/1023126391.db2.gz SKDNXVGIABNPOA-MOPGFXCFSA-N 1 3 365.477 2.839 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](CC[NH3+])C2)c2cccs2)CC1 ZINC001120476694 1023335259 /nfs/dbraw/zinc/33/52/59/1023335259.db2.gz WIYGWCHVKQUBHD-IRXDYDNUSA-N 1 3 364.559 2.901 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001120673068 1023415994 /nfs/dbraw/zinc/41/59/94/1023415994.db2.gz QNDGQUGNIRKKGN-FQEVSTJZSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001120673068 1023415998 /nfs/dbraw/zinc/41/59/98/1023415998.db2.gz QNDGQUGNIRKKGN-FQEVSTJZSA-N 1 3 358.530 2.530 20 0 FFADHO Cc1ccc(Cl)cc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001123616786 1023903572 /nfs/dbraw/zinc/90/35/72/1023903572.db2.gz PZKNFFIVBKIXJF-HNNXBMFYSA-N 1 3 354.926 2.720 20 0 FFADHO Cc1ccc(Cl)cc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001123616786 1023903578 /nfs/dbraw/zinc/90/35/78/1023903578.db2.gz PZKNFFIVBKIXJF-HNNXBMFYSA-N 1 3 354.926 2.720 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@]2(C)C1 ZINC001101400092 1024637494 /nfs/dbraw/zinc/63/74/94/1024637494.db2.gz GDKDSIQDNJNEFA-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@@]2(C)C1 ZINC001101400092 1024637499 /nfs/dbraw/zinc/63/74/99/1024637499.db2.gz GDKDSIQDNJNEFA-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101400318 1024637680 /nfs/dbraw/zinc/63/76/80/1024637680.db2.gz QOBZVLUCYDMMGN-SCTDSRPQSA-N 1 3 371.516 2.934 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101400318 1024637686 /nfs/dbraw/zinc/63/76/86/1024637686.db2.gz QOBZVLUCYDMMGN-SCTDSRPQSA-N 1 3 371.516 2.934 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477209 1024846013 /nfs/dbraw/zinc/84/60/13/1024846013.db2.gz IKNWKBWGNUBNGO-IRLDBZIGSA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@]2(C)C1 ZINC001101477209 1024846027 /nfs/dbraw/zinc/84/60/27/1024846027.db2.gz IKNWKBWGNUBNGO-IRLDBZIGSA-N 1 3 357.542 2.870 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101478588 1024851329 /nfs/dbraw/zinc/85/13/29/1024851329.db2.gz VTZIKMPVMOPDJE-CBQOVEMMSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101478588 1024851350 /nfs/dbraw/zinc/85/13/50/1024851350.db2.gz VTZIKMPVMOPDJE-CBQOVEMMSA-N 1 3 355.526 2.794 20 0 FFADHO COC(=O)c1sc(C(C)(C)C)cc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218608194 1033242874 /nfs/dbraw/zinc/24/28/74/1033242874.db2.gz SPUADKADERINHG-LBPRGKRZSA-N 1 3 369.531 2.830 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047621 1025354916 /nfs/dbraw/zinc/35/49/16/1025354916.db2.gz NJAQSSQPPCFCID-NPFVIJTESA-N 1 3 369.553 2.700 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047621 1025354931 /nfs/dbraw/zinc/35/49/31/1025354931.db2.gz NJAQSSQPPCFCID-NPFVIJTESA-N 1 3 369.553 2.700 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c(C)s1 ZINC001102048866 1025357682 /nfs/dbraw/zinc/35/76/82/1025357682.db2.gz ROVALQZUHCKMRT-UPRAQXHNSA-N 1 3 363.571 2.889 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)c(C)s1 ZINC001102048866 1025357694 /nfs/dbraw/zinc/35/76/94/1025357694.db2.gz ROVALQZUHCKMRT-UPRAQXHNSA-N 1 3 363.571 2.889 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001102088074 1025412915 /nfs/dbraw/zinc/41/29/15/1025412915.db2.gz LFACZSJKQVZNBI-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001102088074 1025412918 /nfs/dbraw/zinc/41/29/18/1025412918.db2.gz LFACZSJKQVZNBI-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H](CNC(=O)Cc1cccc2c1CC[NH2+]C2)N(C)Cc1ccccc1 ZINC000638111842 1025705938 /nfs/dbraw/zinc/70/59/38/1025705938.db2.gz GQZZRZMNPFUPAH-KRWDZBQOSA-N 1 3 351.494 2.512 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)cc1 ZINC001102330097 1025761210 /nfs/dbraw/zinc/76/12/10/1025761210.db2.gz BOIDUKIMTSZCPA-HMXCVIKNSA-N 1 3 359.558 2.808 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C2)cc1 ZINC001102330097 1025761215 /nfs/dbraw/zinc/76/12/15/1025761215.db2.gz BOIDUKIMTSZCPA-HMXCVIKNSA-N 1 3 359.558 2.808 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000638448099 1025848958 /nfs/dbraw/zinc/84/89/58/1025848958.db2.gz ALQGGDCTPZEZNV-HXUWFJFHSA-N 1 3 359.558 2.724 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1C)N(C)C ZINC001102380714 1025854232 /nfs/dbraw/zinc/85/42/32/1025854232.db2.gz UCMYBJRKMOEFSI-LZQZEXGQSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1C)N(C)C ZINC001102380714 1025854235 /nfs/dbraw/zinc/85/42/35/1025854235.db2.gz UCMYBJRKMOEFSI-LZQZEXGQSA-N 1 3 361.530 2.528 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ccc2OC)C[C@H]1C ZINC001102476033 1026054696 /nfs/dbraw/zinc/05/46/96/1026054696.db2.gz PNVINEJRPLEZDZ-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ccc2OC)C[C@H]1C ZINC001102476033 1026054713 /nfs/dbraw/zinc/05/47/13/1026054713.db2.gz PNVINEJRPLEZDZ-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514225 1026182070 /nfs/dbraw/zinc/18/20/70/1026182070.db2.gz QOZMTXYDJHAVDX-KBAYOESNSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514225 1026182071 /nfs/dbraw/zinc/18/20/71/1026182071.db2.gz QOZMTXYDJHAVDX-KBAYOESNSA-N 1 3 363.933 2.866 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)cc1 ZINC001102532081 1026245068 /nfs/dbraw/zinc/24/50/68/1026245068.db2.gz SSBWLAZRIOTEGE-OXQOHEQNSA-N 1 3 368.525 2.750 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)cc1 ZINC001102532081 1026245070 /nfs/dbraw/zinc/24/50/70/1026245070.db2.gz SSBWLAZRIOTEGE-OXQOHEQNSA-N 1 3 368.525 2.750 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccnn3CC3CCC3)CC2)CC1 ZINC000639274367 1026264460 /nfs/dbraw/zinc/26/44/60/1026264460.db2.gz CFTGKSNVXUIGMA-UHFFFAOYSA-N 1 3 359.562 2.675 20 0 FFADHO CC(C)(C)[C@@]1(C[N@@H+]2CCC(CO)(CO)C2)CCN(Cc2ccccc2)C1 ZINC000639324732 1026278046 /nfs/dbraw/zinc/27/80/46/1026278046.db2.gz KNZRCOPWSACNNR-QFIPXVFZSA-N 1 3 360.542 2.602 20 0 FFADHO CC(C)(C)[C@@]1(C[N@H+]2CCC(CO)(CO)C2)CCN(Cc2ccccc2)C1 ZINC000639324732 1026278057 /nfs/dbraw/zinc/27/80/57/1026278057.db2.gz KNZRCOPWSACNNR-QFIPXVFZSA-N 1 3 360.542 2.602 20 0 FFADHO CC(C)(C)[C@@]1(CN2CCC(CO)(CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639324732 1026278068 /nfs/dbraw/zinc/27/80/68/1026278068.db2.gz KNZRCOPWSACNNR-QFIPXVFZSA-N 1 3 360.542 2.602 20 0 FFADHO CC(C)(C)[C@@]1(CN2CCC(CO)(CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639324732 1026278077 /nfs/dbraw/zinc/27/80/77/1026278077.db2.gz KNZRCOPWSACNNR-QFIPXVFZSA-N 1 3 360.542 2.602 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc4c3CCOC4)CC2)CC1 ZINC000639554967 1026365174 /nfs/dbraw/zinc/36/51/74/1026365174.db2.gz MHSMCHDBXGJYJQ-UHFFFAOYSA-N 1 3 357.542 2.750 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102600636 1026401210 /nfs/dbraw/zinc/40/12/10/1026401210.db2.gz NZFYNPDNKRODEI-KFWWJZLASA-N 1 3 364.361 2.595 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1C ZINC001102600636 1026401216 /nfs/dbraw/zinc/40/12/16/1026401216.db2.gz NZFYNPDNKRODEI-KFWWJZLASA-N 1 3 364.361 2.595 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1C[C@@H](C[N@@H+]1CCC[C@H](CO)[C@@H]1C)c1ccccc1 ZINC000639677322 1026428065 /nfs/dbraw/zinc/42/80/65/1026428065.db2.gz LRCGSDYCTGWNPD-CRAJWZQDSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1C[C@@H](C[N@H+]1CCC[C@H](CO)[C@@H]1C)c1ccccc1 ZINC000639677322 1026428076 /nfs/dbraw/zinc/42/80/76/1026428076.db2.gz LRCGSDYCTGWNPD-CRAJWZQDSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@@H](CN1CCC[C@H](CO)[C@@H]1C)c1ccccc1 ZINC000639677322 1026428081 /nfs/dbraw/zinc/42/80/81/1026428081.db2.gz LRCGSDYCTGWNPD-CRAJWZQDSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H](CN1CCC[C@H](CO)[C@@H]1C)c1ccccc1 ZINC000639677322 1026428084 /nfs/dbraw/zinc/42/80/84/1026428084.db2.gz LRCGSDYCTGWNPD-CRAJWZQDSA-N 1 3 374.569 2.956 20 0 FFADHO CN1CCN(c2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000838874771 1026523706 /nfs/dbraw/zinc/52/37/06/1026523706.db2.gz WZLPAAIPNVZOSZ-UHFFFAOYSA-N 1 3 351.498 2.914 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103086781 1026948343 /nfs/dbraw/zinc/94/83/43/1026948343.db2.gz QNUKFNYOSSQHMO-WRWLIDTKSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103086781 1026948352 /nfs/dbraw/zinc/94/83/52/1026948352.db2.gz QNUKFNYOSSQHMO-WRWLIDTKSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087634 1026948440 /nfs/dbraw/zinc/94/84/40/1026948440.db2.gz KDSIEAVKXRPXKZ-XFQXTVEOSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087634 1026948450 /nfs/dbraw/zinc/94/84/50/1026948450.db2.gz KDSIEAVKXRPXKZ-XFQXTVEOSA-N 1 3 361.505 2.740 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001103111998 1026971491 /nfs/dbraw/zinc/97/14/91/1026971491.db2.gz ZMHPKFQKXPVRHX-NXHRZFHOSA-N 1 3 351.560 2.909 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001103111998 1026971495 /nfs/dbraw/zinc/97/14/95/1026971495.db2.gz ZMHPKFQKXPVRHX-NXHRZFHOSA-N 1 3 351.560 2.909 20 0 FFADHO Cc1cncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001103111744 1026971734 /nfs/dbraw/zinc/97/17/34/1026971734.db2.gz MIAXBBAKJKVCBJ-RLLQIKCJSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1cncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001103111744 1026971737 /nfs/dbraw/zinc/97/17/37/1026971737.db2.gz MIAXBBAKJKVCBJ-RLLQIKCJSA-N 1 3 360.546 2.550 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC001103156546 1027010347 /nfs/dbraw/zinc/01/03/47/1027010347.db2.gz JIFMKMHCYFXGKX-IEBWSBKVSA-N 1 3 360.546 2.695 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1C ZINC001103156546 1027010352 /nfs/dbraw/zinc/01/03/52/1027010352.db2.gz JIFMKMHCYFXGKX-IEBWSBKVSA-N 1 3 360.546 2.695 20 0 FFADHO CN1CCC(N(c2cnc3cccc(Cl)c3n2)C2CC[NH2+]CC2)CC1 ZINC001158575912 1027064847 /nfs/dbraw/zinc/06/48/47/1027064847.db2.gz YUOQBTHZTMRKIO-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO CN1CCC(N([C@@H](F)Oc2cccc(Cl)n2)C2CC[NH2+]CC2)CC1 ZINC001158580984 1027066226 /nfs/dbraw/zinc/06/62/26/1027066226.db2.gz LSTPLXRBCIIODD-QGZVFWFLSA-N 1 3 356.873 2.515 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)Nc3cccc(C[NH3+])c3)CC2)c1 ZINC000641690084 1027271209 /nfs/dbraw/zinc/27/12/09/1027271209.db2.gz UBQWFGNAKVAVAW-UHFFFAOYSA-N 1 3 352.482 2.605 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159540289 1027427315 /nfs/dbraw/zinc/42/73/15/1027427315.db2.gz UNPQXJQVVFOLDB-UHFFFAOYSA-N 1 3 365.525 2.900 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001103435117 1027478178 /nfs/dbraw/zinc/47/81/78/1027478178.db2.gz QOSWVYJCMWECGE-SFHLNBCPSA-N 1 3 357.542 2.911 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001103435117 1027478188 /nfs/dbraw/zinc/47/81/88/1027478188.db2.gz QOSWVYJCMWECGE-SFHLNBCPSA-N 1 3 357.542 2.911 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C)C1 ZINC001103436436 1027482257 /nfs/dbraw/zinc/48/22/57/1027482257.db2.gz XZWGWKYMMXXEAA-YQVWRLOYSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2C)C1 ZINC001103436436 1027482268 /nfs/dbraw/zinc/48/22/68/1027482268.db2.gz XZWGWKYMMXXEAA-YQVWRLOYSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(CC=C(Cl)Cl)C[C@H]2C)C1 ZINC001103436415 1027482491 /nfs/dbraw/zinc/48/24/91/1027482491.db2.gz WZNASDOTRRUOCM-RRFJBIMHSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(CC=C(Cl)Cl)C[C@H]2C)C1 ZINC001103436415 1027482499 /nfs/dbraw/zinc/48/24/99/1027482499.db2.gz WZNASDOTRRUOCM-RRFJBIMHSA-N 1 3 362.345 2.721 20 0 FFADHO C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439818 1027488916 /nfs/dbraw/zinc/48/89/16/1027488916.db2.gz WQBNTYFMKXORPV-QZTJIDSGSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103439818 1027488925 /nfs/dbraw/zinc/48/89/25/1027488925.db2.gz WQBNTYFMKXORPV-QZTJIDSGSA-N 1 3 367.578 2.608 20 0 FFADHO Cc1cccc(-c2cc(C(F)(F)N[C@H](N)CCC[NH3+])c(Cl)nn2)c1 ZINC001159789327 1027498936 /nfs/dbraw/zinc/49/89/36/1027498936.db2.gz SPDDUDFLJYVFNP-AWEZNQCLSA-N 1 3 355.820 2.768 20 0 FFADHO CN1CCN(Cc2cccc(Nc3cccc4c3[C@@H]3C[NH2+]C[C@H]3O4)c2)CC1 ZINC001160395240 1027692901 /nfs/dbraw/zinc/69/29/01/1027692901.db2.gz PVELLRFBDKLGRH-WIYYLYMNSA-N 1 3 364.493 2.625 20 0 FFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001160435469 1027705848 /nfs/dbraw/zinc/70/58/48/1027705848.db2.gz DGEVUBIBPGKQQZ-HXUWFJFHSA-N 1 3 366.509 2.748 20 0 FFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001160435469 1027705866 /nfs/dbraw/zinc/70/58/66/1027705866.db2.gz DGEVUBIBPGKQQZ-HXUWFJFHSA-N 1 3 366.509 2.748 20 0 FFADHO CN(Cc1sc2ccccc2c1Cl)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160675477 1027797565 /nfs/dbraw/zinc/79/75/65/1027797565.db2.gz DJWGRBUZENUOJO-NSHDSACASA-N 1 3 357.932 2.532 20 0 FFADHO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161450367 1028182738 /nfs/dbraw/zinc/18/27/38/1028182738.db2.gz FVMGZOLHDAVNBG-HNNXBMFYSA-N 1 3 362.905 2.886 20 0 FFADHO COc1cc2ccccc2cc1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161452476 1028184269 /nfs/dbraw/zinc/18/42/69/1028184269.db2.gz RYJPINZDTQQSSQ-GOSISDBHSA-N 1 3 355.482 2.604 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1[nH]c(C2CC[NH2+]CC2)cc2ncnc1-2 ZINC001162759185 1028647103 /nfs/dbraw/zinc/64/71/03/1028647103.db2.gz AJGMWHRUUHKGOW-LBPRGKRZSA-N 1 3 361.453 2.784 20 0 FFADHO C[NH+](C)C[C@@H](Nc1cc2c(nn1)CCNC2)C12CC3CC(CC(C3)C1)C2 ZINC001162813717 1028666388 /nfs/dbraw/zinc/66/63/88/1028666388.db2.gz AXMJUYMAITYALS-KXDMBUCYSA-N 1 3 355.530 2.681 20 0 FFADHO Clc1cc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)c2c(n1)CNCC2 ZINC001156215090 1029094980 /nfs/dbraw/zinc/09/49/80/1029094980.db2.gz CORHAODQJULUNS-UHFFFAOYSA-N 1 3 367.884 2.734 20 0 FFADHO CN1CCN(c2ccc(NCc3cccnc3C3CC[NH2+]CC3)cc2)CC1 ZINC001163911439 1029113193 /nfs/dbraw/zinc/11/31/93/1029113193.db2.gz FBWISWYGUXWNPU-UHFFFAOYSA-N 1 3 365.525 2.913 20 0 FFADHO Cc1c(NC(=O)C(C)(C)C)ccnc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164211686 1029204904 /nfs/dbraw/zinc/20/49/04/1029204904.db2.gz TWPFFJPWPMBEFX-UHFFFAOYSA-N 1 3 361.534 2.813 20 0 FFADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCCCCF)C2)[C@@H](C1CC1)N1CCCC1 ZINC001111817224 1029542220 /nfs/dbraw/zinc/54/22/20/1029542220.db2.gz VHUIDDJDRHWOPD-ZVDOUQERSA-N 1 3 365.537 2.971 20 0 FFADHO O=C(N[C@]12CCC[C@H]1C[N@H+](CCCCCF)C2)[C@@H](C1CC1)N1CCCC1 ZINC001111817224 1029542223 /nfs/dbraw/zinc/54/22/23/1029542223.db2.gz VHUIDDJDRHWOPD-ZVDOUQERSA-N 1 3 365.537 2.971 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001157597169 1029626917 /nfs/dbraw/zinc/62/69/17/1029626917.db2.gz LCYYVIINNAWNQK-PZJWPPBQSA-N 1 3 368.525 2.915 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOC1CCC1)C2)N(CC)CC ZINC001111869742 1029649372 /nfs/dbraw/zinc/64/93/72/1029649372.db2.gz HZVULYALZRNULH-CUWPLCDZSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOC1CCC1)C2)N(CC)CC ZINC001111869742 1029649374 /nfs/dbraw/zinc/64/93/74/1029649374.db2.gz HZVULYALZRNULH-CUWPLCDZSA-N 1 3 365.562 2.647 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ncc4ccc(Cl)cc4n3)CC2)CC1 ZINC001157838180 1029673027 /nfs/dbraw/zinc/67/30/27/1029673027.db2.gz QUTWEDLYXZSWCO-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3nccc4cc(Cl)ncc43)CC2)CC1 ZINC001157838010 1029673166 /nfs/dbraw/zinc/67/31/66/1029673166.db2.gz NOQRNSZABYBDGO-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO CCCN(CCC)c1cncc(N2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001157841336 1029674327 /nfs/dbraw/zinc/67/43/27/1029674327.db2.gz CFVOPCJEHNUGOR-UHFFFAOYSA-N 1 3 374.577 2.567 20 0 FFADHO FC(F)(F)[C@@H]1N(c2cc(Cl)nc3c2CCNC3)CCC12CC[NH2+]CC2 ZINC001165268875 1029922949 /nfs/dbraw/zinc/92/29/49/1029922949.db2.gz FGYKBYVABSFEDI-OAHLLOKOSA-N 1 3 374.838 2.892 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114147 1030037889 /nfs/dbraw/zinc/03/78/89/1030037889.db2.gz BAXLOQWKUUNOMS-YEHCYSSBSA-N 1 3 361.452 2.662 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112117937 1030044428 /nfs/dbraw/zinc/04/44/28/1030044428.db2.gz KIMMDPVMTGNXEY-OAGGEKHMSA-N 1 3 365.484 2.988 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC2CCC2)C1)N(C)C ZINC001112167182 1030131475 /nfs/dbraw/zinc/13/14/75/1030131475.db2.gz HJBQHJMAWKSXMC-OAGGEKHMSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1cccc(OCC[NH3+])c1)c1ccco1 ZINC000841286395 1030159171 /nfs/dbraw/zinc/15/91/71/1030159171.db2.gz PWVVYIKVFMZIPO-YOEHRIQHSA-N 1 3 360.458 2.868 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)CN1Cc1ccccc1 ZINC000841285587 1030159569 /nfs/dbraw/zinc/15/95/69/1030159569.db2.gz SNMZGNZROHZLIU-VQIMIIECSA-N 1 3 368.481 2.809 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1cccc(OCC[NH3+])c1)c1ccco1 ZINC000841286392 1030159702 /nfs/dbraw/zinc/15/97/02/1030159702.db2.gz PWVVYIKVFMZIPO-PBHICJAKSA-N 1 3 360.458 2.868 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC001142349624 1030336435 /nfs/dbraw/zinc/33/64/35/1030336435.db2.gz FBCQBQIIVVXQGT-FXAWDEMLSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](NC(=O)C2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC001142349624 1030336451 /nfs/dbraw/zinc/33/64/51/1030336451.db2.gz FBCQBQIIVVXQGT-FXAWDEMLSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)CN1Cc1ccccc1 ZINC000841854879 1030504611 /nfs/dbraw/zinc/50/46/11/1030504611.db2.gz FXAFGQOZRVBVDZ-UTKZUKDTSA-N 1 3 366.509 2.650 20 0 FFADHO CC(C)OCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112353294 1030633518 /nfs/dbraw/zinc/63/35/18/1030633518.db2.gz AKDDVTUTZZSVAW-ZJOUEHCJSA-N 1 3 365.562 2.503 20 0 FFADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccncc1)CC2 ZINC001204078764 1031085020 /nfs/dbraw/zinc/08/50/20/1031085020.db2.gz DSYDGSXQSJQDOQ-NRFANRHFSA-N 1 3 373.541 2.811 20 0 FFADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccncc1)CC2 ZINC001204078764 1031085045 /nfs/dbraw/zinc/08/50/45/1031085045.db2.gz DSYDGSXQSJQDOQ-NRFANRHFSA-N 1 3 373.541 2.811 20 0 FFADHO CN1C(=O)CCC12CCN(Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204271457 1031197024 /nfs/dbraw/zinc/19/70/24/1031197024.db2.gz MQVUYBAEPDLWRF-UHFFFAOYSA-N 1 3 359.514 2.604 20 0 FFADHO C[C@]1(CNC(=O)NCCN2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798351685 1031370941 /nfs/dbraw/zinc/37/09/41/1031370941.db2.gz YUFJGKPNXUZFIR-OAQYLSRUSA-N 1 3 358.530 2.684 20 0 FFADHO C[C@]1(CNC(=O)NCCN2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798351685 1031370947 /nfs/dbraw/zinc/37/09/47/1031370947.db2.gz YUFJGKPNXUZFIR-OAQYLSRUSA-N 1 3 358.530 2.684 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCF)C1 ZINC001205434934 1031743906 /nfs/dbraw/zinc/74/39/06/1031743906.db2.gz VUNJUEBPVFQWRJ-ZYSHUDEJSA-N 1 3 365.468 2.554 20 0 FFADHO C[C@H]1CCN(Cc2cn3ccc(Br)cc3n2)CC[C@H]1C[NH3+] ZINC001205625679 1031882643 /nfs/dbraw/zinc/88/26/43/1031882643.db2.gz CKTHUKGZNDVONO-STQMWFEESA-N 1 3 351.292 2.904 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245492 1033355598 /nfs/dbraw/zinc/35/55/98/1033355598.db2.gz CNPLEKFJKAANBN-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO COCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245492 1033355610 /nfs/dbraw/zinc/35/56/10/1033355610.db2.gz CNPLEKFJKAANBN-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCC[C@H]([NH2+]C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001218845837 1033372418 /nfs/dbraw/zinc/37/24/18/1033372418.db2.gz JURKHFLPGNXFFD-FQEVSTJZSA-N 1 3 360.546 2.931 20 0 FFADHO N[C@H](C(=O)Nc1ccc2nc(C(F)(F)F)ccc2c1)C1CC[NH2+]CC1 ZINC001218965350 1033433453 /nfs/dbraw/zinc/43/34/53/1033433453.db2.gz KNDLHWSOLDQPII-HNNXBMFYSA-N 1 3 352.360 2.519 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)cc1 ZINC001218972879 1033434682 /nfs/dbraw/zinc/43/46/82/1033434682.db2.gz VAWDLVFIWBIFFB-IBGZPJMESA-N 1 3 353.466 2.932 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001223453799 1033450402 /nfs/dbraw/zinc/45/04/02/1033450402.db2.gz MNMWBIWKIRXMOW-TZIWHRDSSA-N 1 3 372.557 2.866 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC001223453799 1033450407 /nfs/dbraw/zinc/45/04/07/1033450407.db2.gz MNMWBIWKIRXMOW-TZIWHRDSSA-N 1 3 372.557 2.866 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCOC(C)C)[C@H]2C1)N(CC)CC ZINC001223489823 1033469865 /nfs/dbraw/zinc/46/98/65/1033469865.db2.gz YIDMXGITFYUTAR-AABGKKOBSA-N 1 3 367.578 2.845 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCOC(C)C)[C@H]2C1)N(CC)CC ZINC001223489823 1033469875 /nfs/dbraw/zinc/46/98/75/1033469875.db2.gz YIDMXGITFYUTAR-AABGKKOBSA-N 1 3 367.578 2.845 20 0 FFADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)c3csc4c3CCNC4)cc2)C1 ZINC001219239888 1033567750 /nfs/dbraw/zinc/56/77/50/1033567750.db2.gz WORFXWSNBXAORP-CYBMUJFWSA-N 1 3 356.495 2.574 20 0 FFADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2CCN(Cc3cccnc3)[C@H]2C1 ZINC001224153805 1033744391 /nfs/dbraw/zinc/74/43/91/1033744391.db2.gz YAYRAQVMQMZRLU-RTWAWAEBSA-N 1 3 370.541 2.771 20 0 FFADHO CCCC[C@H](CC)COCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220130785 1033994988 /nfs/dbraw/zinc/99/49/88/1033994988.db2.gz CGZNGYIXWADYMZ-ROUUACIJSA-N 1 3 353.551 2.600 20 0 FFADHO CCCC[C@H](CC)COCCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220130785 1033994992 /nfs/dbraw/zinc/99/49/92/1033994992.db2.gz CGZNGYIXWADYMZ-ROUUACIJSA-N 1 3 353.551 2.600 20 0 FFADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161410 1034014982 /nfs/dbraw/zinc/01/49/82/1034014982.db2.gz CKHYAIDUVBGZBB-JFIYKMOQSA-N 1 3 369.431 2.614 20 0 FFADHO N[C@H](C(=O)NCCC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001220248309 1034069137 /nfs/dbraw/zinc/06/91/37/1034069137.db2.gz QTISWVKSBBCKIO-NRFANRHFSA-N 1 3 351.494 2.652 20 0 FFADHO O=C(NCc1cccc(-c2cccs2)c1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220451711 1034184375 /nfs/dbraw/zinc/18/43/75/1034184375.db2.gz VXCUSKUSNNMDER-KRWDZBQOSA-N 1 3 355.507 2.906 20 0 FFADHO O=C(NCc1cccc(-c2cccs2)c1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220451711 1034184382 /nfs/dbraw/zinc/18/43/82/1034184382.db2.gz VXCUSKUSNNMDER-KRWDZBQOSA-N 1 3 355.507 2.906 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001225272101 1034187601 /nfs/dbraw/zinc/18/76/01/1034187601.db2.gz GPOOHBDNOANSLO-ICSRJNTNSA-N 1 3 360.546 2.971 20 0 FFADHO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220769210 1034387247 /nfs/dbraw/zinc/38/72/47/1034387247.db2.gz KUDXFGZFFPCGNX-YLJYHZDGSA-N 1 3 356.514 2.712 20 0 FFADHO N[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001221195778 1034599148 /nfs/dbraw/zinc/59/91/48/1034599148.db2.gz HPQRKICZIBVCPY-RTBURBONSA-N 1 3 357.885 2.873 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CCC(NC(=O)C3CCCC3)CC2)cc1 ZINC001138772058 1034639463 /nfs/dbraw/zinc/63/94/63/1034639463.db2.gz FBJGUZUJDPDQAZ-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO CC(C)C(=O)N(C)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138771959 1034639796 /nfs/dbraw/zinc/63/97/96/1034639796.db2.gz LEJBRZYHZFUKBM-UHFFFAOYSA-N 1 3 361.530 2.706 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCC(C(F)(F)F)C(F)(F)F ZINC001221397593 1034712051 /nfs/dbraw/zinc/71/20/51/1034712051.db2.gz YRARZTSPKLNQFT-JTQLQIEISA-N 1 3 365.362 2.729 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001221408732 1034718450 /nfs/dbraw/zinc/71/84/50/1034718450.db2.gz QTUKBAUBIHOWJU-XYPHTWIQSA-N 1 3 371.447 2.810 20 0 FFADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001221408732 1034718464 /nfs/dbraw/zinc/71/84/64/1034718464.db2.gz QTUKBAUBIHOWJU-XYPHTWIQSA-N 1 3 371.447 2.810 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOC(C)C ZINC001226612753 1034756079 /nfs/dbraw/zinc/75/60/79/1034756079.db2.gz AXEAOIVAHXHLJX-QRVBRYPASA-N 1 3 353.551 2.693 20 0 FFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1)C1CC1 ZINC001226791789 1034843473 /nfs/dbraw/zinc/84/34/73/1034843473.db2.gz MGIAYUFHXPWUHR-QRVBRYPASA-N 1 3 365.468 2.822 20 0 FFADHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221587867 1034901123 /nfs/dbraw/zinc/90/11/23/1034901123.db2.gz LPCSMMNBSRHUBX-UMPVYUTHSA-N 1 3 353.526 2.945 20 0 FFADHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221587867 1034901126 /nfs/dbraw/zinc/90/11/26/1034901126.db2.gz LPCSMMNBSRHUBX-UMPVYUTHSA-N 1 3 353.526 2.945 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)cc1)N(C)C ZINC001227038663 1034917472 /nfs/dbraw/zinc/91/74/72/1034917472.db2.gz JZZJJEBAEDZQCT-GUDVDZBRSA-N 1 3 365.493 2.562 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1)N(C)C ZINC001227057228 1034923176 /nfs/dbraw/zinc/92/31/76/1034923176.db2.gz RDYLEWLCIKDXPG-GUDVDZBRSA-N 1 3 353.551 2.550 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001221657443 1034957336 /nfs/dbraw/zinc/95/73/36/1034957336.db2.gz WSQNMKOQUYFOSD-MISYRCLQSA-N 1 3 355.526 2.937 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001221657443 1034957345 /nfs/dbraw/zinc/95/73/45/1034957345.db2.gz WSQNMKOQUYFOSD-MISYRCLQSA-N 1 3 355.526 2.937 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001221657443 1034957352 /nfs/dbraw/zinc/95/73/52/1034957352.db2.gz WSQNMKOQUYFOSD-MISYRCLQSA-N 1 3 355.526 2.937 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001221657443 1034957358 /nfs/dbraw/zinc/95/73/58/1034957358.db2.gz WSQNMKOQUYFOSD-MISYRCLQSA-N 1 3 355.526 2.937 20 0 FFADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791248 1035073063 /nfs/dbraw/zinc/07/30/63/1035073063.db2.gz CQOAZPYVUNWNFY-ZLGUVYLKSA-N 1 3 355.526 2.721 20 0 FFADHO Cc1cc(F)cc(C)c1CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277220091 1035611036 /nfs/dbraw/zinc/61/10/36/1035611036.db2.gz BCZCHEYZESQURY-UHFFFAOYSA-N 1 3 361.505 2.819 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001227750397 1035713322 /nfs/dbraw/zinc/71/33/22/1035713322.db2.gz GGHOKTLBKBARCX-QZTJIDSGSA-N 1 3 362.518 2.765 20 0 FFADHO Cn1cc(C[N@@H+]2CC[C@@H]3CN(Cc4cc(Cl)ccc4N)C[C@H]3C2)cn1 ZINC001140715330 1035976714 /nfs/dbraw/zinc/97/67/14/1035976714.db2.gz MCCPLUPXDVRIKE-NVXWUHKLSA-N 1 3 359.905 2.610 20 0 FFADHO Cn1cc(C[N@H+]2CC[C@@H]3CN(Cc4cc(Cl)ccc4N)C[C@H]3C2)cn1 ZINC001140715330 1035976733 /nfs/dbraw/zinc/97/67/33/1035976733.db2.gz MCCPLUPXDVRIKE-NVXWUHKLSA-N 1 3 359.905 2.610 20 0 FFADHO Cc1cccc(F)c1CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277746311 1036232939 /nfs/dbraw/zinc/23/29/39/1036232939.db2.gz FIJYOUTXDNCYHZ-NRFANRHFSA-N 1 3 361.505 2.900 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1)N(C)C ZINC001228660429 1036238197 /nfs/dbraw/zinc/23/81/97/1036238197.db2.gz FYDSWLIWOLDTQG-QRVBRYPASA-N 1 3 367.484 2.865 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1)N1CCCCCC1 ZINC001228932298 1036415557 /nfs/dbraw/zinc/41/55/57/1036415557.db2.gz MXILRCUFJFDSMW-DFQSSKMNSA-N 1 3 365.562 2.695 20 0 FFADHO COCOc1cccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c1 ZINC001233280443 1036487784 /nfs/dbraw/zinc/48/77/84/1036487784.db2.gz OTSSGEWHTCFJES-IFMALSPDSA-N 1 3 374.525 2.850 20 0 FFADHO COCOc1cccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c1 ZINC001233280443 1036487788 /nfs/dbraw/zinc/48/77/88/1036487788.db2.gz OTSSGEWHTCFJES-IFMALSPDSA-N 1 3 374.525 2.850 20 0 FFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 ZINC001207279443 1037306857 /nfs/dbraw/zinc/30/68/57/1037306857.db2.gz GNSWZKBZGFJNPY-UHFFFAOYSA-N 1 3 365.543 2.534 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001207281444 1037310717 /nfs/dbraw/zinc/31/07/17/1037310717.db2.gz DJGWAWFZZUTJEV-JOCHJYFZSA-N 1 3 355.526 2.975 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC001230858501 1037379355 /nfs/dbraw/zinc/37/93/55/1037379355.db2.gz LLVZVJYSKCUSFP-HNNXBMFYSA-N 1 3 364.509 2.905 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC001230858501 1037379374 /nfs/dbraw/zinc/37/93/74/1037379374.db2.gz LLVZVJYSKCUSFP-HNNXBMFYSA-N 1 3 364.509 2.905 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001230858893 1037381245 /nfs/dbraw/zinc/38/12/45/1037381245.db2.gz QCURXRHIJFASLU-KCLUMXDGSA-N 1 3 372.557 2.704 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001230858893 1037381257 /nfs/dbraw/zinc/38/12/57/1037381257.db2.gz QCURXRHIJFASLU-KCLUMXDGSA-N 1 3 372.557 2.704 20 0 FFADHO CN(C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)C1CC[NH+](C)CC1 ZINC001207390465 1037408144 /nfs/dbraw/zinc/40/81/44/1037408144.db2.gz UQGWDSNYFHSHIB-SJORKVTESA-N 1 3 370.534 2.654 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001207491858 1037489500 /nfs/dbraw/zinc/48/95/00/1037489500.db2.gz DORRBJXVIXDWQD-GNZRSQJKSA-N 1 3 367.534 2.619 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cc(F)c(F)c(F)c3F)CC2)CC1 ZINC001235362722 1037504652 /nfs/dbraw/zinc/50/46/52/1037504652.db2.gz WRLGOHLLQFZWCP-UHFFFAOYSA-N 1 3 359.411 2.702 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001235488556 1037583849 /nfs/dbraw/zinc/58/38/49/1037583849.db2.gz UKCGUTKMNDPODP-NJYVYQBISA-N 1 3 370.541 2.838 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001235488556 1037583861 /nfs/dbraw/zinc/58/38/61/1037583861.db2.gz UKCGUTKMNDPODP-NJYVYQBISA-N 1 3 370.541 2.838 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207617555 1037602932 /nfs/dbraw/zinc/60/29/32/1037602932.db2.gz VPHZYQZGWIHAMY-IMFGXOCKSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207617555 1037602940 /nfs/dbraw/zinc/60/29/40/1037602940.db2.gz VPHZYQZGWIHAMY-IMFGXOCKSA-N 1 3 361.505 2.679 20 0 FFADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207624913 1037613312 /nfs/dbraw/zinc/61/33/12/1037613312.db2.gz JUUOEOLQJDAYAY-RCCFBDPRSA-N 1 3 356.514 2.501 20 0 FFADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)CCC2 ZINC001207624913 1037613316 /nfs/dbraw/zinc/61/33/16/1037613316.db2.gz JUUOEOLQJDAYAY-RCCFBDPRSA-N 1 3 356.514 2.501 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001235694986 1037691391 /nfs/dbraw/zinc/69/13/91/1037691391.db2.gz MFHIXOMOAYSHKI-HXUWFJFHSA-N 1 3 373.541 2.646 20 0 FFADHO Cc1nc(F)ccc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001235812390 1037761976 /nfs/dbraw/zinc/76/19/76/1037761976.db2.gz WKYJQKCSPRXJBT-UHFFFAOYSA-N 1 3 357.477 2.770 20 0 FFADHO [NH3+]CCNC(=O)c1cccc(CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC001235863099 1037800743 /nfs/dbraw/zinc/80/07/43/1037800743.db2.gz BZZULSWLMRYXKV-UHFFFAOYSA-N 1 3 369.484 2.969 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]1CNCC2 ZINC001236038214 1037899258 /nfs/dbraw/zinc/89/92/58/1037899258.db2.gz HRYRDOPAHJADTR-AUUYWEPGSA-N 1 3 361.873 2.796 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]1CNCC2 ZINC001236038214 1037899282 /nfs/dbraw/zinc/89/92/82/1037899282.db2.gz HRYRDOPAHJADTR-AUUYWEPGSA-N 1 3 361.873 2.796 20 0 FFADHO CC(C)c1cc(Br)ccc1CN(C)CCN1CC[NH2+]CC1 ZINC001236081512 1037924127 /nfs/dbraw/zinc/92/41/27/1037924127.db2.gz PLCCNGTXIGNXAS-UHFFFAOYSA-N 1 3 354.336 2.910 20 0 FFADHO Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)[C@H]2CCCN(C)C2)cc1 ZINC001255484564 1037964442 /nfs/dbraw/zinc/96/44/42/1037964442.db2.gz ABYKXYJSBYHVRX-SFHVURJKSA-N 1 3 351.498 2.706 20 0 FFADHO C[NH+]1CCC(C)(CN2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1 ZINC001208116473 1038052786 /nfs/dbraw/zinc/05/27/86/1038052786.db2.gz VYRXWWIPIPFOQD-UHFFFAOYSA-N 1 3 365.525 2.998 20 0 FFADHO O=C(c1ccccc1)[C@@H]1CCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001236434865 1038088877 /nfs/dbraw/zinc/08/88/77/1038088877.db2.gz YFICFKKWRLYFLH-JOCHJYFZSA-N 1 3 363.505 2.797 20 0 FFADHO CCOC(=O)C1CC[NH+](C2CCN(Cc3cc4c[nH]ccc-4n3)CC2)CC1 ZINC001232013119 1038107068 /nfs/dbraw/zinc/10/70/68/1038107068.db2.gz YHUJPUPEAJOJJX-UHFFFAOYSA-N 1 3 370.497 2.802 20 0 FFADHO CCOC(=O)C1CC[NH+](C2CCN(Cc3cc4cnccc4[nH]3)CC2)CC1 ZINC001232013119 1038107075 /nfs/dbraw/zinc/10/70/75/1038107075.db2.gz YHUJPUPEAJOJJX-UHFFFAOYSA-N 1 3 370.497 2.802 20 0 FFADHO COc1ccc(O[C@@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)nc1 ZINC001236622909 1038159613 /nfs/dbraw/zinc/15/96/13/1038159613.db2.gz QKZJXBCDBMKUDD-MRXNPFEDSA-N 1 3 359.495 2.841 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cc(F)cc4c3OCCC4)CC2)CC1 ZINC001236625346 1038161505 /nfs/dbraw/zinc/16/15/05/1038161505.db2.gz FEFHALQHUUQNRX-UHFFFAOYSA-N 1 3 361.505 2.610 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)N(C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255807930 1038180264 /nfs/dbraw/zinc/18/02/64/1038180264.db2.gz JUPUEFKNERUDBV-JFIYKMOQSA-N 1 3 350.528 2.973 20 0 FFADHO COc1ccc2sc(CN3CCC(=O)N(CC[NH+](C)C)CC3)cc2c1 ZINC001236667255 1038180851 /nfs/dbraw/zinc/18/08/51/1038180851.db2.gz KRCUNKGMZQZXOG-UHFFFAOYSA-N 1 3 361.511 2.506 20 0 FFADHO CCO[C@H]1CC[N@H+](Cc2cc(F)cc(CN(C)C)c2)[C@H]1Cc1cnn(C)c1 ZINC001232150011 1038199293 /nfs/dbraw/zinc/19/92/93/1038199293.db2.gz OUJRRGISWWSWFO-SFTDATJTSA-N 1 3 374.504 2.843 20 0 FFADHO CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(CN(C)C)c2)[C@H]1Cc1cnn(C)c1 ZINC001232150011 1038199301 /nfs/dbraw/zinc/19/93/01/1038199301.db2.gz OUJRRGISWWSWFO-SFTDATJTSA-N 1 3 374.504 2.843 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(OC(F)F)cc3F)CC2)CC1 ZINC001236723429 1038219013 /nfs/dbraw/zinc/21/90/13/1038219013.db2.gz SFERLXFKKHWPQU-UHFFFAOYSA-N 1 3 371.447 2.887 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255954086 1038270333 /nfs/dbraw/zinc/27/03/33/1038270333.db2.gz SCUQNRNEBBAYBP-FJIDUMEYSA-N 1 3 369.550 2.863 20 0 FFADHO CN1CCN(c2cccc(C[NH+]3CCC(Oc4ccncc4)CC3)c2)CC1 ZINC001236887764 1038330507 /nfs/dbraw/zinc/33/05/07/1038330507.db2.gz PFIUGEMHWLORQT-UHFFFAOYSA-N 1 3 366.509 2.877 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)C1 ZINC001208610858 1038446294 /nfs/dbraw/zinc/44/62/94/1038446294.db2.gz ANYNYXYLTMJNLF-IEBWSBKVSA-N 1 3 364.484 2.961 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)C1 ZINC001208610858 1038446300 /nfs/dbraw/zinc/44/63/00/1038446300.db2.gz ANYNYXYLTMJNLF-IEBWSBKVSA-N 1 3 364.484 2.961 20 0 FFADHO C[NH+](C)CCOCc1ncn2c1CN(CCCc1ccc(F)cc1)CCC2 ZINC001208772591 1038522240 /nfs/dbraw/zinc/52/22/40/1038522240.db2.gz CZADAKFAOSNAOR-UHFFFAOYSA-N 1 3 374.504 2.939 20 0 FFADHO FC(F)(F)COc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cn1 ZINC001256678234 1038599252 /nfs/dbraw/zinc/59/92/52/1038599252.db2.gz VFFPYOZHVSVFAW-UHFFFAOYSA-N 1 3 373.419 2.756 20 0 FFADHO c1cncc(CC2(C[NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)c1 ZINC001256681521 1038600045 /nfs/dbraw/zinc/60/00/45/1038600045.db2.gz UNZWSRBKOMKRDU-UHFFFAOYSA-N 1 3 373.541 2.654 20 0 FFADHO CC[C@H](CC[NH2+]C1CCC(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001256683987 1038601535 /nfs/dbraw/zinc/60/15/35/1038601535.db2.gz KDWXATYVQGPVLB-WWDZGPRUSA-N 1 3 369.550 2.913 20 0 FFADHO Fc1cccc(Cn2cnc(C[NH2+]C3CCC(N4CCOCC4)CC3)c2)c1 ZINC001256687218 1038602288 /nfs/dbraw/zinc/60/22/88/1038602288.db2.gz QHXHQOOUBBHYKA-UHFFFAOYSA-N 1 3 372.488 2.804 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686654 1038602833 /nfs/dbraw/zinc/60/28/33/1038602833.db2.gz SBJPOMPXBBAPIT-ZGUYJTEBSA-N 1 3 367.534 2.665 20 0 FFADHO c1nc(C[NH2+]C2CCC(N3CCOCC3)CC2)cn1Cc1ccccc1 ZINC001256687373 1038602981 /nfs/dbraw/zinc/60/29/81/1038602981.db2.gz UAVBUHJZDFCGJT-UHFFFAOYSA-N 1 3 354.498 2.664 20 0 FFADHO O=C1OCCCN1c1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256688201 1038603557 /nfs/dbraw/zinc/60/35/57/1038603557.db2.gz SOKJGTHLYOUKAY-UHFFFAOYSA-N 1 3 373.497 2.766 20 0 FFADHO CC(C)N(C)Cc1nn([C@H]2CCC[N@@H+](C3CCCC3)C2)c2c1CCNC2 ZINC001256917757 1038656151 /nfs/dbraw/zinc/65/61/51/1038656151.db2.gz VHRIJBLRSOFURZ-SFHVURJKSA-N 1 3 359.562 2.949 20 0 FFADHO CC(C)N(C)Cc1nn([C@H]2CCC[N@H+](C3CCCC3)C2)c2c1CCNC2 ZINC001256917757 1038656153 /nfs/dbraw/zinc/65/61/53/1038656153.db2.gz VHRIJBLRSOFURZ-SFHVURJKSA-N 1 3 359.562 2.949 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001209134824 1038678926 /nfs/dbraw/zinc/67/89/26/1038678926.db2.gz VTMGUPRSOVNPAZ-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001209134824 1038678929 /nfs/dbraw/zinc/67/89/29/1038678929.db2.gz VTMGUPRSOVNPAZ-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO CCOC(=O)CCCCCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001209352561 1038775742 /nfs/dbraw/zinc/77/57/42/1038775742.db2.gz ULEHURXGHFZAPV-UHFFFAOYSA-N 1 3 355.567 2.850 20 0 FFADHO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](CCCN3CCCCC3)C2)O1 ZINC001209449729 1038874560 /nfs/dbraw/zinc/87/45/60/1038874560.db2.gz CTALOLKNXZNXNK-PZJWPPBQSA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](CCCN3CCCCC3)C2)O1 ZINC001209449729 1038874578 /nfs/dbraw/zinc/87/45/78/1038874578.db2.gz CTALOLKNXZNXNK-PZJWPPBQSA-N 1 3 365.562 2.648 20 0 FFADHO O=C1[C@H]2CN(CCC[NH+]3CCCCC3)C[C@H]2CN1Cc1cccc(F)c1 ZINC001209450590 1038875495 /nfs/dbraw/zinc/87/54/95/1038875495.db2.gz SMZCVLPNZOHEOX-ICSRJNTNSA-N 1 3 359.489 2.592 20 0 FFADHO c1ccc(C[C@H]2[C@H](N3CCOCC3)CCN2CCC[NH+]2CCCCC2)cc1 ZINC001209451680 1038880934 /nfs/dbraw/zinc/88/09/34/1038880934.db2.gz NPKFLHQASSHCSF-PKTZIBPZSA-N 1 3 371.569 2.880 20 0 FFADHO CCN(C(=O)NCC[N@@H+]1CC[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001251372857 1039095045 /nfs/dbraw/zinc/09/50/45/1039095045.db2.gz ZNBQYNWHVMCLGQ-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NCC[N@H+]1CC[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001251372857 1039095060 /nfs/dbraw/zinc/09/50/60/1039095060.db2.gz ZNBQYNWHVMCLGQ-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO O[C@@H](CNC[C@@H]1CCC[NH2+]C1)COc1cccc2[nH]c3ccccc3c21 ZINC001245984097 1039176562 /nfs/dbraw/zinc/17/65/62/1039176562.db2.gz VCBIJZXCNUCFHV-CVEARBPZSA-N 1 3 353.466 2.650 20 0 FFADHO COc1cc(C)c(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1C ZINC001245995726 1039182810 /nfs/dbraw/zinc/18/28/10/1039182810.db2.gz DVILHVPTHPDVRS-RBUKOAKNSA-N 1 3 364.436 2.611 20 0 FFADHO C[C@@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC001246018202 1039193693 /nfs/dbraw/zinc/19/36/93/1039193693.db2.gz VFPMNZUHOPJYHE-CQIJRDABSA-N 1 3 367.537 2.512 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(CNc3ccc(F)cc32)CC1 ZINC001246021805 1039196048 /nfs/dbraw/zinc/19/60/48/1039196048.db2.gz HASQNQIWTRBIST-PZJWPPBQSA-N 1 3 369.484 2.516 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCC2(CNc3ccc(F)cc32)CC1 ZINC001246021805 1039196056 /nfs/dbraw/zinc/19/60/56/1039196056.db2.gz HASQNQIWTRBIST-PZJWPPBQSA-N 1 3 369.484 2.516 20 0 FFADHO C[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c4ccccc4c32)C[C@H]1C[NH3+] ZINC001246022174 1039197840 /nfs/dbraw/zinc/19/78/40/1039197840.db2.gz PSXYZRCIYFIVDB-ZACQAIPSSA-N 1 3 367.493 2.978 20 0 FFADHO [NH3+][C@@H]1CCN(C[C@H](O)COCc2c(Cl)cccc2Cl)CC[C@@H]1F ZINC001246027178 1039198901 /nfs/dbraw/zinc/19/89/01/1039198901.db2.gz GFTIDHOJNIPURO-KNXALSJPSA-N 1 3 365.276 2.632 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001251673535 1039243888 /nfs/dbraw/zinc/24/38/88/1039243888.db2.gz ZCQVJJVBDRMYEA-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO CCCCC[C@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246408024 1039341742 /nfs/dbraw/zinc/34/17/42/1039341742.db2.gz BSHAGUYPWYNVEG-HJODOSNWSA-N 1 3 356.551 2.847 20 0 FFADHO COc1cccc(C2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246414860 1039346952 /nfs/dbraw/zinc/34/69/52/1039346952.db2.gz JNQFHLLDJGGAMT-GDBMZVCRSA-N 1 3 357.420 2.546 20 0 FFADHO C[C@H]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(OCc3ccccc3)cc2)CN1 ZINC001246454700 1039360089 /nfs/dbraw/zinc/36/00/89/1039360089.db2.gz FLFGSJQSICAHDT-YYWHXJBOSA-N 1 3 354.494 2.899 20 0 FFADHO CC[NH+](CC)CCN1CCN(C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258419275 1039362691 /nfs/dbraw/zinc/36/26/91/1039362691.db2.gz VLXGAXBXMSJKIR-UHFFFAOYSA-N 1 3 362.537 2.754 20 0 FFADHO CC(C)(C)OC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246500444 1039373312 /nfs/dbraw/zinc/37/33/12/1039373312.db2.gz IDLDAWSSQCYILY-CEXWTWQISA-N 1 3 361.530 2.909 20 0 FFADHO NC[C@H]1C[N@@H+](C2CCC(c3ccc(Br)cc3)CC2)C[C@H]1O ZINC001246581215 1039403864 /nfs/dbraw/zinc/40/38/64/1039403864.db2.gz RJQHVJINYVLVJC-UMAGBFNSSA-N 1 3 353.304 2.727 20 0 FFADHO NC[C@H]1C[N@H+](C2CCC(c3ccc(Br)cc3)CC2)C[C@H]1O ZINC001246581215 1039403872 /nfs/dbraw/zinc/40/38/72/1039403872.db2.gz RJQHVJINYVLVJC-UMAGBFNSSA-N 1 3 353.304 2.727 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCO[C@@H](c4ccccc4)C3)C[C@@H]1CNCCC2 ZINC001246596188 1039408050 /nfs/dbraw/zinc/40/80/50/1039408050.db2.gz PLGBJNGAVUZPNZ-KEZQHZCBSA-N 1 3 372.509 2.771 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCO[C@@H](c4ccccc4)C3)C[C@@H]1CNCCC2 ZINC001246596188 1039408065 /nfs/dbraw/zinc/40/80/65/1039408065.db2.gz PLGBJNGAVUZPNZ-KEZQHZCBSA-N 1 3 372.509 2.771 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001246637044 1039424687 /nfs/dbraw/zinc/42/46/87/1039424687.db2.gz XEWPPLHXZIAQIZ-CRAIPNDOSA-N 1 3 371.447 2.934 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCNC[C@]2(CCCCN2)C1 ZINC001246637044 1039424695 /nfs/dbraw/zinc/42/46/95/1039424695.db2.gz XEWPPLHXZIAQIZ-CRAIPNDOSA-N 1 3 371.447 2.934 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCNC[C@]2(CCCCN2)C1 ZINC001246637044 1039424702 /nfs/dbraw/zinc/42/47/02/1039424702.db2.gz XEWPPLHXZIAQIZ-CRAIPNDOSA-N 1 3 371.447 2.934 20 0 FFADHO C[C@@H]1CC[C@@H](N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C[NH2+]1 ZINC001246721267 1039451074 /nfs/dbraw/zinc/45/10/74/1039451074.db2.gz KYKGCXMWRXBBJA-KZNAEPCWSA-N 1 3 363.571 2.944 20 0 FFADHO C[C@H]1C[C@H](N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CC[NH2+]1 ZINC001246771911 1039473167 /nfs/dbraw/zinc/47/31/67/1039473167.db2.gz YWJVFAMVONXBAK-RJJVWVDVSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246771911 1039473176 /nfs/dbraw/zinc/47/31/76/1039473176.db2.gz YWJVFAMVONXBAK-RJJVWVDVSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246771911 1039473180 /nfs/dbraw/zinc/47/31/80/1039473180.db2.gz YWJVFAMVONXBAK-RJJVWVDVSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1CC(N2CCN[C@@H](c3cccc(Br)c3)C2)C[C@@H](C)[NH2+]1 ZINC001246804363 1039487146 /nfs/dbraw/zinc/48/71/46/1039487146.db2.gz GUFFGBXZKDOAJF-PBFPGSCMSA-N 1 3 352.320 2.924 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CC1 ZINC001258774208 1039506502 /nfs/dbraw/zinc/50/65/02/1039506502.db2.gz XGPOQARVDHILIN-UHFFFAOYSA-N 1 3 370.541 2.771 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC(CC3CC[NH+](CC)CC3)CC2)CN1 ZINC001246900266 1039524794 /nfs/dbraw/zinc/52/47/94/1039524794.db2.gz HICZEJWAKZGUJL-UXHICEINSA-N 1 3 365.562 2.504 20 0 FFADHO CCOC(=O)[C@@H]1CN([C@@H](C)Cc2c(F)cccc2Cl)CCC12C[NH2+]C2 ZINC001247003789 1039572786 /nfs/dbraw/zinc/57/27/86/1039572786.db2.gz ABOCWXADGWYYCJ-ZFWWWQNUSA-N 1 3 368.880 2.885 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOc2ccccc2C)C[C@H]1C ZINC001210499242 1039586884 /nfs/dbraw/zinc/58/68/84/1039586884.db2.gz UOPLBUCOIZCKFZ-RTBURBONSA-N 1 3 361.530 2.542 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOc2ccccc2C)C[C@H]1C ZINC001210499242 1039586886 /nfs/dbraw/zinc/58/68/86/1039586886.db2.gz UOPLBUCOIZCKFZ-RTBURBONSA-N 1 3 361.530 2.542 20 0 FFADHO COc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)cc1 ZINC001252717579 1039660976 /nfs/dbraw/zinc/66/09/76/1039660976.db2.gz HLXKBPIIINFGFN-OTWHNJEPSA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)cc1 ZINC001252717579 1039660987 /nfs/dbraw/zinc/66/09/87/1039660987.db2.gz HLXKBPIIINFGFN-OTWHNJEPSA-N 1 3 362.514 2.774 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]1(C)c1ccccc1 ZINC001252931441 1039807470 /nfs/dbraw/zinc/80/74/70/1039807470.db2.gz KEKQOYKWBWKQAN-GHTZIAJQSA-N 1 3 360.546 2.979 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]1(C)c1ccccc1 ZINC001252931441 1039807495 /nfs/dbraw/zinc/80/74/95/1039807495.db2.gz KEKQOYKWBWKQAN-GHTZIAJQSA-N 1 3 360.546 2.979 20 0 FFADHO CC[C@H]1Cc2ccccc2CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001252931932 1039810672 /nfs/dbraw/zinc/81/06/72/1039810672.db2.gz PGEQMLJSZNYMOQ-PXNSSMCTSA-N 1 3 360.546 2.805 20 0 FFADHO CC[C@H]1Cc2ccccc2CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001252931932 1039810694 /nfs/dbraw/zinc/81/06/94/1039810694.db2.gz PGEQMLJSZNYMOQ-PXNSSMCTSA-N 1 3 360.546 2.805 20 0 FFADHO O[C@@]1(CNC2(c3ccccc3)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252944044 1039842405 /nfs/dbraw/zinc/84/24/05/1039842405.db2.gz TUDXZGMSNQPFGA-JOCHJYFZSA-N 1 3 366.505 2.919 20 0 FFADHO O[C@@]1(CNC2(c3ccccc3)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944044 1039842432 /nfs/dbraw/zinc/84/24/32/1039842432.db2.gz TUDXZGMSNQPFGA-JOCHJYFZSA-N 1 3 366.505 2.919 20 0 FFADHO COc1cccc2c(CNC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c[nH]c21 ZINC001252949124 1039853293 /nfs/dbraw/zinc/85/32/93/1039853293.db2.gz HFYFKMSTAIKWRD-QFIPXVFZSA-N 1 3 365.477 2.903 20 0 FFADHO COc1cccc2c(CNC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c[nH]c21 ZINC001252949124 1039853319 /nfs/dbraw/zinc/85/33/19/1039853319.db2.gz HFYFKMSTAIKWRD-QFIPXVFZSA-N 1 3 365.477 2.903 20 0 FFADHO Cc1ccc(C2(CNC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001252954436 1039867807 /nfs/dbraw/zinc/86/78/07/1039867807.db2.gz URUYOUABSWZZPI-QFIPXVFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1ccc(C2(CNC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001252954436 1039867833 /nfs/dbraw/zinc/86/78/33/1039867833.db2.gz URUYOUABSWZZPI-QFIPXVFZSA-N 1 3 351.494 2.648 20 0 FFADHO FC(F)(F)c1cc(Cl)cc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247829933 1039977162 /nfs/dbraw/zinc/97/71/62/1039977162.db2.gz KQXRNAVZWUWKQT-LLVKDONJSA-N 1 3 358.751 2.685 20 0 FFADHO CCCN(C[C@@H](O)C[NH+](CC)CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253192009 1040034167 /nfs/dbraw/zinc/03/41/67/1040034167.db2.gz HXIGYZLJFRSNCG-MSOLQXFVSA-N 1 3 371.566 2.658 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNCCc1c[nH]c2cc(Br)ccc12 ZINC001253207043 1040045923 /nfs/dbraw/zinc/04/59/23/1040045923.db2.gz XJANUJXSZJMJAP-OAHLLOKOSA-N 1 3 368.319 2.765 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC001253406196 1040156411 /nfs/dbraw/zinc/15/64/11/1040156411.db2.gz CGPBPGQPPFJABM-ZDUSSCGKSA-N 1 3 373.419 2.948 20 0 FFADHO [NH3+][C@@H](Cc1nc(-c2ccc3c(n2)CCNC3)no1)Cc1cccc(Cl)c1 ZINC001248233685 1040187560 /nfs/dbraw/zinc/18/75/60/1040187560.db2.gz HSIPQCWGYZCOML-OAHLLOKOSA-N 1 3 369.856 2.543 20 0 FFADHO COCc1ccc(CN[C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)s1 ZINC001278724765 1040208862 /nfs/dbraw/zinc/20/88/62/1040208862.db2.gz BDBSHGFHVQRLEC-RBUKOAKNSA-N 1 3 365.543 2.507 20 0 FFADHO c1cc(-c2noc(C3CCC4(CCC[NH2+]C4)CC3)n2)nc2c1CNCC2 ZINC001248328496 1040233371 /nfs/dbraw/zinc/23/33/71/1040233371.db2.gz IDCAAIUORZNBIP-UHFFFAOYSA-N 1 3 353.470 2.805 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001254012127 1040515154 /nfs/dbraw/zinc/51/51/54/1040515154.db2.gz FOZFUJDVNQYFKR-LJQANCHMSA-N 1 3 364.530 2.925 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001254522639 1040777194 /nfs/dbraw/zinc/77/71/94/1040777194.db2.gz PCUDQKLDMIOGBH-IVAOSVALSA-N 1 3 359.514 2.562 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001254522639 1040777213 /nfs/dbraw/zinc/77/72/13/1040777213.db2.gz PCUDQKLDMIOGBH-IVAOSVALSA-N 1 3 359.514 2.562 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704680 1040813493 /nfs/dbraw/zinc/81/34/93/1040813493.db2.gz NSJACDJSZDOPKY-WOJBJXKFSA-N 1 3 365.562 2.504 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC(N3CCC(OC)CC3)CC2)C1 ZINC001255376608 1041306288 /nfs/dbraw/zinc/30/62/88/1041306288.db2.gz DKUWZLTUWSWGLO-FUHWJXTLSA-N 1 3 352.519 2.684 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](OC)c2ccccc2)C1 ZINC001214998508 1041639881 /nfs/dbraw/zinc/63/98/81/1041639881.db2.gz XNJOTSRMMAYPRX-QRQLOZEOSA-N 1 3 361.530 2.541 20 0 FFADHO Cc1ccccc1[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001262483251 1041700855 /nfs/dbraw/zinc/70/08/55/1041700855.db2.gz ZTDRTHOHFZNZDE-VNTMZGSJSA-N 1 3 355.526 2.931 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC001215536238 1041817918 /nfs/dbraw/zinc/81/79/18/1041817918.db2.gz NRLBFKNGXCPQSG-FUHIMQAGSA-N 1 3 361.505 2.679 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)c1 ZINC001215564063 1041828975 /nfs/dbraw/zinc/82/89/75/1041828975.db2.gz ZPBXPQWIHAEHPO-VQIMIIECSA-N 1 3 361.530 2.610 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001216002546 1041928386 /nfs/dbraw/zinc/92/83/86/1041928386.db2.gz UVDBMQDIMFBQGW-YFVAEKQCSA-N 1 3 357.542 2.885 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001216216845 1041980880 /nfs/dbraw/zinc/98/08/80/1041980880.db2.gz CRKXANPLYISXPF-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001216216845 1041980886 /nfs/dbraw/zinc/98/08/86/1041980886.db2.gz CRKXANPLYISXPF-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](CCOC)c2ccccc2)C1 ZINC001216510949 1042044851 /nfs/dbraw/zinc/04/48/51/1042044851.db2.gz GBLWOSUOWZAVAE-MISYRCLQSA-N 1 3 361.530 2.543 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001263918969 1042531688 /nfs/dbraw/zinc/53/16/88/1042531688.db2.gz AUAFSQMWGIBOQL-TZNKQQJSSA-N 1 3 355.526 2.916 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001264987708 1042836259 /nfs/dbraw/zinc/83/62/59/1042836259.db2.gz IRHHECRYLHQJEC-MAUKXSAKSA-N 1 3 353.457 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)Cc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001264987708 1042836262 /nfs/dbraw/zinc/83/62/62/1042836262.db2.gz IRHHECRYLHQJEC-MAUKXSAKSA-N 1 3 353.457 2.633 20 0 FFADHO COc1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc(OC)c1 ZINC001279137437 1042914749 /nfs/dbraw/zinc/91/47/49/1042914749.db2.gz LGBHKNHJSXSKFW-RTWAWAEBSA-N 1 3 361.530 2.790 20 0 FFADHO Cc1cc(CN2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)cc(C)c1F ZINC001279149065 1042919995 /nfs/dbraw/zinc/91/99/95/1042919995.db2.gz YBFFAMGUXOOLAB-NRFANRHFSA-N 1 3 363.521 2.671 20 0 FFADHO Cc1c(F)ccc(CN2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)c1F ZINC001279264941 1042973754 /nfs/dbraw/zinc/97/37/54/1042973754.db2.gz JVJHHVJOCNJZHU-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO Cc1c(F)ccc(CN2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c1F ZINC001279264941 1042973757 /nfs/dbraw/zinc/97/37/57/1042973757.db2.gz JVJHHVJOCNJZHU-IYBDPMFKSA-N 1 3 365.468 2.505 20 0 FFADHO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCN1CCCCC1)C2 ZINC001279275279 1042978787 /nfs/dbraw/zinc/97/87/87/1042978787.db2.gz IVZOQNAMAKMNFW-FQEVSTJZSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCN1CCCCC1)C2 ZINC001279275279 1042978791 /nfs/dbraw/zinc/97/87/91/1042978791.db2.gz IVZOQNAMAKMNFW-FQEVSTJZSA-N 1 3 350.551 2.768 20 0 FFADHO Cc1sc2ccccc2c1CN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001279299719 1042989969 /nfs/dbraw/zinc/98/99/69/1042989969.db2.gz CGYPGXNJCOESHF-MOPGFXCFSA-N 1 3 359.539 2.656 20 0 FFADHO Cc1sc2ccccc2c1CN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001279299720 1042990053 /nfs/dbraw/zinc/99/00/53/1042990053.db2.gz CGYPGXNJCOESHF-OALUTQOASA-N 1 3 359.539 2.656 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]2CC1 ZINC001279372110 1043033593 /nfs/dbraw/zinc/03/35/93/1043033593.db2.gz JVNQCMMVJBENOT-OKILXGFUSA-N 1 3 355.935 2.634 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3sccc3Cl)C[C@H]2CC1 ZINC001279372110 1043033598 /nfs/dbraw/zinc/03/35/98/1043033598.db2.gz JVNQCMMVJBENOT-OKILXGFUSA-N 1 3 355.935 2.634 20 0 FFADHO COc1ncc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279396522 1043052528 /nfs/dbraw/zinc/05/25/28/1043052528.db2.gz UFNRDIDQPSRQJG-LJQANCHMSA-N 1 3 366.937 2.593 20 0 FFADHO Cc1cc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]c4=O)(C2)CCC3)n(C)n1 ZINC001279413458 1043076939 /nfs/dbraw/zinc/07/69/39/1043076939.db2.gz YMJDEAMDYKOMLR-UXHICEINSA-N 1 3 355.486 2.554 20 0 FFADHO CSc1ccccc1CN1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001279414529 1043082876 /nfs/dbraw/zinc/08/28/76/1043082876.db2.gz KVWCEEIUEDMJKM-FQEVSTJZSA-N 1 3 363.571 2.637 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4sncc4C)C[C@H]3CC2)n(C)n1 ZINC001279483189 1043167362 /nfs/dbraw/zinc/16/73/62/1043167362.db2.gz BRJHKIFADZVBJP-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4sncc4C)C[C@H]3CC2)n(C)n1 ZINC001279483189 1043167366 /nfs/dbraw/zinc/16/73/66/1043167366.db2.gz BRJHKIFADZVBJP-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO COC(=O)[C@@H](C)C[NH+]1CCC2(CCCN(Cc3scnc3C)C2)CC1 ZINC001279517359 1043216077 /nfs/dbraw/zinc/21/60/77/1043216077.db2.gz JXHFLICGGXUHQH-HNNXBMFYSA-N 1 3 365.543 2.939 20 0 FFADHO CN1CCC2(C[NH+](C[C@@H]3CCCN(C(=O)OCc4ccccc4)C3)C2)C1 ZINC001278116097 1043248040 /nfs/dbraw/zinc/24/80/40/1043248040.db2.gz DPPZBZJOSOLFNI-IBGZPJMESA-N 1 3 357.498 2.673 20 0 FFADHO CCn1nc(C)c(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)c1C ZINC001279611456 1043338264 /nfs/dbraw/zinc/33/82/64/1043338264.db2.gz GFRIJLYCYOVPBZ-NRFANRHFSA-N 1 3 361.578 2.759 20 0 FFADHO CCn1nc(C)c(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)c1C ZINC001279611456 1043338271 /nfs/dbraw/zinc/33/82/71/1043338271.db2.gz GFRIJLYCYOVPBZ-NRFANRHFSA-N 1 3 361.578 2.759 20 0 FFADHO Cc1cc(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)ccn1 ZINC001279665415 1043430246 /nfs/dbraw/zinc/43/02/46/1043430246.db2.gz LSRKZGINBZOVCJ-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cc(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)ccn1 ZINC001279665415 1043430251 /nfs/dbraw/zinc/43/02/51/1043430251.db2.gz LSRKZGINBZOVCJ-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2ccnc(C)c2)CC3)n(C)n1 ZINC001279665944 1043430379 /nfs/dbraw/zinc/43/03/79/1043430379.db2.gz VCGLFUNYKHLCDM-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC001279671685 1043440627 /nfs/dbraw/zinc/44/06/27/1043440627.db2.gz DDDDVKWZZIBSKM-UHFFFAOYSA-N 1 3 354.498 2.544 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC001279671685 1043440632 /nfs/dbraw/zinc/44/06/32/1043440632.db2.gz DDDDVKWZZIBSKM-UHFFFAOYSA-N 1 3 354.498 2.544 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc(O)cc3OC)(C1)CCC2 ZINC001279679769 1043455529 /nfs/dbraw/zinc/45/55/29/1043455529.db2.gz MXTODZLFQRVOSN-UXHICEINSA-N 1 3 364.486 2.546 20 0 FFADHO Nc1cccc(CN2CCC[C@@]3(CCC[N@H+](CCn4ccnc4)C3)C2)c1 ZINC001279699753 1043493205 /nfs/dbraw/zinc/49/32/05/1043493205.db2.gz OXCNLYAEFBIAJB-OAQYLSRUSA-N 1 3 353.514 2.844 20 0 FFADHO Nc1cccc(CN2CCC[C@@]3(CCC[N@@H+](CCn4ccnc4)C3)C2)c1 ZINC001279699753 1043493209 /nfs/dbraw/zinc/49/32/09/1043493209.db2.gz OXCNLYAEFBIAJB-OAQYLSRUSA-N 1 3 353.514 2.844 20 0 FFADHO CN(CCC[NH3+])CCCNC(=O)NC(c1ccccc1)c1ccccc1 ZINC001239231136 1044078752 /nfs/dbraw/zinc/07/87/52/1044078752.db2.gz HSSWHZFURLTLPQ-UHFFFAOYSA-N 1 3 354.498 2.746 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc(F)c3OC)(C1)CCC2 ZINC001278290606 1044079814 /nfs/dbraw/zinc/07/98/14/1044079814.db2.gz DOLTVCQUWFPXST-UXHICEINSA-N 1 3 366.477 2.979 20 0 FFADHO CC[N@@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001313896762 1044440646 /nfs/dbraw/zinc/44/06/46/1044440646.db2.gz ZIQXXDSOTVVTFP-SFHVURJKSA-N 1 3 374.577 2.665 20 0 FFADHO CC[N@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001313896762 1044440652 /nfs/dbraw/zinc/44/06/52/1044440652.db2.gz ZIQXXDSOTVVTFP-SFHVURJKSA-N 1 3 374.577 2.665 20 0 FFADHO C[NH+]1CCC(NC(=O)c2cc3c([nH]2)CN(C[C@H]2CC=CCC2)CC3)CC1 ZINC001280237707 1044449452 /nfs/dbraw/zinc/44/94/52/1044449452.db2.gz SQAJSRBMLLIABE-INIZCTEOSA-N 1 3 356.514 2.553 20 0 FFADHO C[NH+]1CCC(NC(=O)C23CC(NCc4ccc(F)cc4Cl)(C2)C3)CC1 ZINC001280304025 1044576081 /nfs/dbraw/zinc/57/60/81/1044576081.db2.gz WMDBOLLOIUHPAE-UHFFFAOYSA-N 1 3 365.880 2.702 20 0 FFADHO CCN1CCN(c2ccc(-c3ccccc3N3CC[NH2+]CC3)cc2)CC1 ZINC001241743851 1044584022 /nfs/dbraw/zinc/58/40/22/1044584022.db2.gz JQRCXIXOGZSAKN-UHFFFAOYSA-N 1 3 350.510 2.905 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCC=C(Cl)Cl)C2CC2)CC[N@@H+]1C ZINC001318697818 1044816354 /nfs/dbraw/zinc/81/63/54/1044816354.db2.gz CDTNQKMPZFBRGE-VBQJREDUSA-N 1 3 362.345 2.910 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCC=C(Cl)Cl)C2CC2)CC[N@H+]1C ZINC001318697818 1044816367 /nfs/dbraw/zinc/81/63/67/1044816367.db2.gz CDTNQKMPZFBRGE-VBQJREDUSA-N 1 3 362.345 2.910 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001316797834 1045015393 /nfs/dbraw/zinc/01/53/93/1045015393.db2.gz RNKVMTNWZCJIMF-UTKZUKDTSA-N 1 3 357.542 2.986 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001316797834 1045015401 /nfs/dbraw/zinc/01/54/01/1045015401.db2.gz RNKVMTNWZCJIMF-UTKZUKDTSA-N 1 3 357.542 2.986 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCc2c(F)cccc2F)CC[N@@H+]1C ZINC001281714418 1045030009 /nfs/dbraw/zinc/03/00/09/1045030009.db2.gz XXSVNBVSPAVMJR-SUNYJGFJSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCc2c(F)cccc2F)CC[N@H+]1C ZINC001281714418 1045030024 /nfs/dbraw/zinc/03/00/24/1045030024.db2.gz XXSVNBVSPAVMJR-SUNYJGFJSA-N 1 3 353.457 2.680 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001278377456 1045089643 /nfs/dbraw/zinc/08/96/43/1045089643.db2.gz WVPDBYLYRDKVTL-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001278377456 1045089657 /nfs/dbraw/zinc/08/96/57/1045089657.db2.gz WVPDBYLYRDKVTL-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC001321849527 1045837295 /nfs/dbraw/zinc/83/72/95/1045837295.db2.gz LJHZAAWJRJUZSG-HYVNUMGLSA-N 1 3 369.431 2.898 20 0 FFADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC001321849527 1045837313 /nfs/dbraw/zinc/83/73/13/1045837313.db2.gz LJHZAAWJRJUZSG-HYVNUMGLSA-N 1 3 369.431 2.898 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001322336378 1046047933 /nfs/dbraw/zinc/04/79/33/1046047933.db2.gz KFWZHSCMMNNPEB-OAQYLSRUSA-N 1 3 373.541 2.524 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001326692304 1047037907 /nfs/dbraw/zinc/03/79/07/1047037907.db2.gz GOJCYTCTNWDEOI-WFXMLNOXSA-N 1 3 364.493 2.673 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001326692304 1047037923 /nfs/dbraw/zinc/03/79/23/1047037923.db2.gz GOJCYTCTNWDEOI-WFXMLNOXSA-N 1 3 364.493 2.673 20 0 FFADHO C[C@H](Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001288676470 1047497349 /nfs/dbraw/zinc/49/73/49/1047497349.db2.gz CPUMCJQVFIJHRQ-MRXNPFEDSA-N 1 3 374.577 2.590 20 0 FFADHO C[C@H](Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001288676470 1047497354 /nfs/dbraw/zinc/49/73/54/1047497354.db2.gz CPUMCJQVFIJHRQ-MRXNPFEDSA-N 1 3 374.577 2.590 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC001332070282 1048233577 /nfs/dbraw/zinc/23/35/77/1048233577.db2.gz MJMUVMOAQBEEPL-OAQYLSRUSA-N 1 3 351.494 2.927 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCC[NH+](CC)CC)C[C@H]1C ZINC001295533824 1049945259 /nfs/dbraw/zinc/94/52/59/1049945259.db2.gz FSFJLLQOSMXAIY-SJORKVTESA-N 1 3 362.566 2.806 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cc21 ZINC001341568899 1050194919 /nfs/dbraw/zinc/19/49/19/1050194919.db2.gz DJDOHCAHIFJMMK-QGZVFWFLSA-N 1 3 353.470 2.567 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001297576390 1050229215 /nfs/dbraw/zinc/22/92/15/1050229215.db2.gz LRLSTDBPFNEZDO-WMZOPIPTSA-N 1 3 351.922 2.974 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001341639209 1050266275 /nfs/dbraw/zinc/26/62/75/1050266275.db2.gz ZTMGJZNTHQUHAL-MSOLQXFVSA-N 1 3 357.498 2.621 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)C2(C(F)(F)F)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC001341716567 1050336558 /nfs/dbraw/zinc/33/65/58/1050336558.db2.gz IFJUFJOUGRMFAO-GDBMZVCRSA-N 1 3 369.431 2.698 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001340017105 1050429516 /nfs/dbraw/zinc/42/95/16/1050429516.db2.gz ABRJGZLVXQXYER-PMACEKPBSA-N 1 3 355.526 2.937 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001340105552 1050510547 /nfs/dbraw/zinc/51/05/47/1050510547.db2.gz NJVOHQSPXGMVKX-IBGZPJMESA-N 1 3 365.477 2.515 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001340105552 1050510550 /nfs/dbraw/zinc/51/05/50/1050510550.db2.gz NJVOHQSPXGMVKX-IBGZPJMESA-N 1 3 365.477 2.515 20 0 FFADHO C[C@@H](C(=O)N1CCC2(C[NH2+]C2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001342078620 1050674741 /nfs/dbraw/zinc/67/47/41/1050674741.db2.gz WTLBTATWRCNGSE-SFHVURJKSA-N 1 3 355.526 2.542 20 0 FFADHO CCN(C)[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001302177847 1051055541 /nfs/dbraw/zinc/05/55/41/1051055541.db2.gz KGKSWYGSWDQUGP-LEWJYISDSA-N 1 3 351.494 2.723 20 0 FFADHO CC1([NH+]2CCCC2)CCC(NC(=O)c2cccc3c2OCCNC3)CC1 ZINC001342508419 1051109776 /nfs/dbraw/zinc/10/97/76/1051109776.db2.gz YMVMKTKYHGFDJD-UHFFFAOYSA-N 1 3 357.498 2.696 20 0 FFADHO O[C@]1(CN2CCCN(c3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001307424972 1052306515 /nfs/dbraw/zinc/30/65/15/1052306515.db2.gz YGXKMQUZGXGSOG-QHCPKHFHSA-N 1 3 365.521 2.836 20 0 FFADHO O[C@]1(CN2CCCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001307424972 1052306520 /nfs/dbraw/zinc/30/65/20/1052306520.db2.gz YGXKMQUZGXGSOG-QHCPKHFHSA-N 1 3 365.521 2.836 20 0 FFADHO C[N@H+](CCCN1CCC(Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC001307683199 1052335907 /nfs/dbraw/zinc/33/59/07/1052335907.db2.gz BLZXFBIKSRTGJB-UHFFFAOYSA-N 1 3 360.542 2.805 20 0 FFADHO C[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC001307683199 1052335908 /nfs/dbraw/zinc/33/59/08/1052335908.db2.gz BLZXFBIKSRTGJB-UHFFFAOYSA-N 1 3 360.542 2.805 20 0 FFADHO CN(CCC[NH+]1CCC(Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC001307683199 1052335910 /nfs/dbraw/zinc/33/59/10/1052335910.db2.gz BLZXFBIKSRTGJB-UHFFFAOYSA-N 1 3 360.542 2.805 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCC[C@@]12CC[NH2+]C2 ZINC001335500079 1053401612 /nfs/dbraw/zinc/40/16/12/1053401612.db2.gz KNUFPGXXLAAYIV-FPOVZHCZSA-N 1 3 356.514 2.751 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335556242 1053431564 /nfs/dbraw/zinc/43/15/64/1053431564.db2.gz IPWIYRDGEBLAIF-MBEFBZSESA-N 1 3 358.530 2.712 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCCN1C ZINC001348129512 1054677083 /nfs/dbraw/zinc/67/70/83/1054677083.db2.gz WMLAESQIYPKEID-PMACEKPBSA-N 1 3 373.545 2.562 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCCN1C ZINC001348129512 1054677087 /nfs/dbraw/zinc/67/70/87/1054677087.db2.gz WMLAESQIYPKEID-PMACEKPBSA-N 1 3 373.545 2.562 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@]12CC[NH2+]C2)c1cccc(OC)c1 ZINC001338436260 1055512277 /nfs/dbraw/zinc/51/22/77/1055512277.db2.gz KFZZRANBCZTJMR-PZJWPPBQSA-N 1 3 374.529 2.616 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@]12CC[NH2+]C2)c1cccc(OC)c1 ZINC001338436262 1055512842 /nfs/dbraw/zinc/51/28/42/1055512842.db2.gz KFZZRANBCZTJMR-TZIWHRDSSA-N 1 3 374.529 2.616 20 0 FFADHO COc1cccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849055296 1055607256 /nfs/dbraw/zinc/60/72/56/1055607256.db2.gz NMXPYRVULSWRNK-UHFFFAOYSA-N 1 3 352.482 2.974 20 0 FFADHO Cc1ccc([C@H](O)CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849071683 1055628581 /nfs/dbraw/zinc/62/85/81/1055628581.db2.gz UHNIBUQGWOGLCY-OAQYLSRUSA-N 1 3 366.509 2.807 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CCCCC2)nc1 ZINC000849072193 1055630061 /nfs/dbraw/zinc/63/00/61/1055630061.db2.gz SOJAIUOSXDEWFX-KRWDZBQOSA-N 1 3 359.518 2.891 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001357337878 1055869376 /nfs/dbraw/zinc/86/93/76/1055869376.db2.gz NHBWBURGLPRIIA-MRXNPFEDSA-N 1 3 369.431 2.872 20 0 FFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)cc1 ZINC001352989400 1055998689 /nfs/dbraw/zinc/99/86/89/1055998689.db2.gz RXNPSOUNVVMCRP-WOJBJXKFSA-N 1 3 364.493 2.977 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@H](O)c1ccccn1)c1ccccc1O2 ZINC001353271664 1056249358 /nfs/dbraw/zinc/24/93/58/1056249358.db2.gz CPEJTYJHJOMHQD-OALUTQOASA-N 1 3 353.466 2.693 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC001353337496 1056309039 /nfs/dbraw/zinc/30/90/39/1056309039.db2.gz BBIYGRGXFNHTRA-GOEBONIOSA-N 1 3 371.319 2.510 20 0 FFADHO S=C(NCCN1CCCCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001200425131 1056660517 /nfs/dbraw/zinc/66/05/17/1056660517.db2.gz FFTIXUCKEBPMBG-UXHICEINSA-N 1 3 372.582 2.553 20 0 FFADHO S=C(NCCN1CCCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001200425131 1056660519 /nfs/dbraw/zinc/66/05/19/1056660519.db2.gz FFTIXUCKEBPMBG-UXHICEINSA-N 1 3 372.582 2.553 20 0 FFADHO CCN(C(=S)NCCN1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001200430408 1056670768 /nfs/dbraw/zinc/67/07/68/1056670768.db2.gz JTWUMBVVBQYZGL-HXUWFJFHSA-N 1 3 374.598 2.943 20 0 FFADHO CCN(C(=S)NCCN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001200430408 1056670773 /nfs/dbraw/zinc/67/07/73/1056670773.db2.gz JTWUMBVVBQYZGL-HXUWFJFHSA-N 1 3 374.598 2.943 20 0 FFADHO Cc1cc(C)c(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000849115839 1056769088 /nfs/dbraw/zinc/76/90/88/1056769088.db2.gz BYVAJLJWUSZRAU-UHFFFAOYSA-N 1 3 351.498 2.977 20 0 FFADHO S=C(NCCN1CCCCC1)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001200444814 1058202401 /nfs/dbraw/zinc/20/24/01/1058202401.db2.gz QHMCYEGSBACXJU-SFHVURJKSA-N 1 3 364.603 2.757 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CCC2CC[NH+](CC)CC2)C[C@H]1C ZINC001502266488 1058798106 /nfs/dbraw/zinc/79/81/06/1058798106.db2.gz RYGUTIXQHDMBKI-IAGOWNOFSA-N 1 3 362.566 2.627 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)c1 ZINC001300596106 1058935872 /nfs/dbraw/zinc/93/58/72/1058935872.db2.gz IHNWDHVWJDOHTG-AZUAARDMSA-N 1 3 373.541 2.896 20 0 FFADHO CCc1nnc(N2CCN(CC3CC3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001546540343 1071835751 /nfs/dbraw/zinc/83/57/51/1071835751.db2.gz LMLDDPKSOFBAHG-LJQANCHMSA-N 1 3 374.577 2.637 20 0 FFADHO CCc1nnc(N2CCN(CC3CC3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001546540343 1071835767 /nfs/dbraw/zinc/83/57/67/1071835767.db2.gz LMLDDPKSOFBAHG-LJQANCHMSA-N 1 3 374.577 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2ccc(Cl)nc2)C(C)(C)C)CC[N@@H+]1C ZINC001507948019 1059764183 /nfs/dbraw/zinc/76/41/83/1059764183.db2.gz FHGGCQDAUJVLOQ-FVQBIDKESA-N 1 3 366.937 2.696 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2ccc(Cl)nc2)C(C)(C)C)CC[N@H+]1C ZINC001507948019 1059764199 /nfs/dbraw/zinc/76/41/99/1059764199.db2.gz FHGGCQDAUJVLOQ-FVQBIDKESA-N 1 3 366.937 2.696 20 0 FFADHO C[N@@H+]1C[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C(C)(C)C1 ZINC001456175749 1060034392 /nfs/dbraw/zinc/03/43/92/1060034392.db2.gz LCCOWQTZSJVJTL-SJORKVTESA-N 1 3 365.468 2.600 20 0 FFADHO C[N@H+]1C[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C(C)(C)C1 ZINC001456175749 1060034416 /nfs/dbraw/zinc/03/44/16/1060034416.db2.gz LCCOWQTZSJVJTL-SJORKVTESA-N 1 3 365.468 2.600 20 0 FFADHO [NH3+][C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)C1CCCCCC1 ZINC001521440081 1060593897 /nfs/dbraw/zinc/59/38/97/1060593897.db2.gz YKWNVEACWGSFMQ-HXUWFJFHSA-N 1 3 359.514 2.880 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc2n(n1)CCC[C@H]2N)c1ccccc1 ZINC001521476562 1060610860 /nfs/dbraw/zinc/61/08/60/1060610860.db2.gz LEXDCRSBOBOHGT-GDBMZVCRSA-N 1 3 355.486 2.536 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC001477430364 1061694484 /nfs/dbraw/zinc/69/44/84/1061694484.db2.gz XUTRHWOTYRYAAD-OAQYLSRUSA-N 1 3 372.557 2.989 20 0 FFADHO CC(C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCN1CC=CCC1 ZINC001359717897 1061695744 /nfs/dbraw/zinc/69/57/44/1061695744.db2.gz LGQLRQAILABXSZ-UHFFFAOYSA-N 1 3 372.561 2.728 20 0 FFADHO C[N@H+](CCNC(=O)NCCNC(c1ccccc1)c1ccccc1)C1CC1 ZINC001477892297 1061830481 /nfs/dbraw/zinc/83/04/81/1061830481.db2.gz DXLBYEUBCJMWPW-UHFFFAOYSA-N 1 3 366.509 2.759 20 0 FFADHO C[N@@H+](CCNC(=O)NCCNC(c1ccccc1)c1ccccc1)C1CC1 ZINC001477892297 1061830499 /nfs/dbraw/zinc/83/04/99/1061830499.db2.gz DXLBYEUBCJMWPW-UHFFFAOYSA-N 1 3 366.509 2.759 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cccs2)C1)N(C)C ZINC001479489233 1062474229 /nfs/dbraw/zinc/47/42/29/1062474229.db2.gz KTTLOTCNGCBZHV-JZXOWHBKSA-N 1 3 351.560 2.751 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCc1csc(C)n1 ZINC001479578669 1062574035 /nfs/dbraw/zinc/57/40/35/1062574035.db2.gz OUGXSHXKTDRYNM-QAPCUYQASA-N 1 3 366.575 2.553 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1cc(C)ccc1OC ZINC001494983422 1063422246 /nfs/dbraw/zinc/42/22/46/1063422246.db2.gz NMXWFFBQMOSRJX-CEXWTWQISA-N 1 3 361.530 2.718 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1cc(C)ccc1OC ZINC001494983422 1063422260 /nfs/dbraw/zinc/42/22/60/1063422260.db2.gz NMXWFFBQMOSRJX-CEXWTWQISA-N 1 3 361.530 2.718 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC001467306564 1063703983 /nfs/dbraw/zinc/70/39/83/1063703983.db2.gz YOMWQUKSVADFLK-SFHVURJKSA-N 1 3 358.530 2.889 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC001467306564 1063703994 /nfs/dbraw/zinc/70/39/94/1063703994.db2.gz YOMWQUKSVADFLK-SFHVURJKSA-N 1 3 358.530 2.889 20 0 FFADHO CCC(CC)[NH2+]CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001468301521 1063961694 /nfs/dbraw/zinc/96/16/94/1063961694.db2.gz DCYWTAUOYQWSQK-UHFFFAOYSA-N 1 3 360.546 2.901 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)N(C)C)cc1 ZINC001472470915 1065075666 /nfs/dbraw/zinc/07/56/66/1065075666.db2.gz QVKQNMVRSFJLSF-PZJWPPBQSA-N 1 3 366.509 2.889 20 0 FFADHO C[C@H]1CN(Cc2cccc(CN3CCOCC3)c2)CCN1c1cc[nH+]cc1 ZINC001473760017 1065348950 /nfs/dbraw/zinc/34/89/50/1065348950.db2.gz UYNHCXWOENTIHX-IBGZPJMESA-N 1 3 366.509 2.625 20 0 FFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2cccc(-c3ccccn3)c2)CC1 ZINC001473978851 1065431475 /nfs/dbraw/zinc/43/14/75/1065431475.db2.gz GXJQLPVQNXLNNU-UHFFFAOYSA-N 1 3 366.509 2.781 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCC2([NH3+])CCOCC2)C1 ZINC001576216554 1078207030 /nfs/dbraw/zinc/20/70/30/1078207030.db2.gz KBUBBNAOOLBTTJ-HOTGVXAUSA-N 1 3 355.523 2.510 20 0 FFADHO OC[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001474438983 1065521697 /nfs/dbraw/zinc/52/16/97/1065521697.db2.gz OGEPXHGJQJTJRJ-KJJMTIBFSA-N 1 3 366.505 2.938 20 0 FFADHO OC[C@@H](Cc1ccc(O)cc1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC001474438983 1065521701 /nfs/dbraw/zinc/52/17/01/1065521701.db2.gz OGEPXHGJQJTJRJ-KJJMTIBFSA-N 1 3 366.505 2.938 20 0 FFADHO OC[C@@H](Cc1ccc(O)cc1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001474438983 1065521708 /nfs/dbraw/zinc/52/17/08/1065521708.db2.gz OGEPXHGJQJTJRJ-KJJMTIBFSA-N 1 3 366.505 2.938 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001576734863 1078267504 /nfs/dbraw/zinc/26/75/04/1078267504.db2.gz KUJPAGBGTQXICR-PXNSSMCTSA-N 1 3 355.526 2.793 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1)c1ccco1 ZINC001577003850 1078293150 /nfs/dbraw/zinc/29/31/50/1078293150.db2.gz PYCPFDKVGFAYGO-JWVYWZTKSA-N 1 3 355.482 2.884 20 0 FFADHO CC[C@@H](CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2)N1CCc2ccccc2C1 ZINC001577085462 1078302519 /nfs/dbraw/zinc/30/25/19/1078302519.db2.gz YTBHTQWVLQPETD-JAXLGGSGSA-N 1 3 355.526 2.862 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C1CC[NH2+]CC1)c1ccsc1 ZINC001577681436 1078387681 /nfs/dbraw/zinc/38/76/81/1078387681.db2.gz VFCZSBSKNNKFAJ-WMLDXEAASA-N 1 3 352.548 2.818 20 0 FFADHO CN(C)[C@H](Cn1c(N2CC[C@H]([NH3+])C2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001578407703 1078470639 /nfs/dbraw/zinc/47/06/39/1078470639.db2.gz BGMLAFJJWOPBFO-DLBZAZTESA-N 1 3 374.508 2.555 20 0 FFADHO CN(C)[C@H](Cn1c(C2CCC2)nnc1N1CCC([NH3+])CC1)c1cccs1 ZINC001578409065 1078470775 /nfs/dbraw/zinc/47/07/75/1078470775.db2.gz TVPKXZZRMAAARC-MRXNPFEDSA-N 1 3 374.558 2.838 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc(Cl)n1 ZINC001579571819 1078644109 /nfs/dbraw/zinc/64/41/09/1078644109.db2.gz XTLAXZXYQMUHGI-CQSZACIVSA-N 1 3 352.910 2.812 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)NC[C@H]3CCN3C3CCCC3)ccc21 ZINC001580304150 1078783557 /nfs/dbraw/zinc/78/35/57/1078783557.db2.gz CLAQOUHJRQYVKN-LJQANCHMSA-N 1 3 354.498 2.737 20 0 FFADHO CN1C(=O)C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]1c1cccnc1 ZINC001549033627 1073602138 /nfs/dbraw/zinc/60/21/38/1073602138.db2.gz AVMMXKKQRLNQIM-AVRDEDQJSA-N 1 3 370.541 2.988 20 0 FFADHO CCN1C(=O)C[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1c1cccnc1 ZINC001549038799 1073607425 /nfs/dbraw/zinc/60/74/25/1073607425.db2.gz YTBLYSFBJONYJK-FXAWDEMLSA-N 1 3 358.530 2.844 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550288083 1074199702 /nfs/dbraw/zinc/19/97/02/1074199702.db2.gz OZVMRUVELSJBIY-NSEAXLEKSA-N 1 3 356.514 2.652 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC001550421885 1074259950 /nfs/dbraw/zinc/25/99/50/1074259950.db2.gz HTJRHXIBDXOFAQ-JTJHWIPRSA-N 1 3 354.498 2.646 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC001550421885 1074259952 /nfs/dbraw/zinc/25/99/52/1074259952.db2.gz HTJRHXIBDXOFAQ-JTJHWIPRSA-N 1 3 354.498 2.646 20 0 FFADHO CCOc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2cccc3c2CNC3)cc1 ZINC001552440015 1075075080 /nfs/dbraw/zinc/07/50/80/1075075080.db2.gz IFUIECUIJYWIKR-WIYYLYMNSA-N 1 3 365.477 2.564 20 0 FFADHO C[C@@H]1C[NH+](CC2CCN(C(=O)C[C@@H]3NCc4ccccc43)CC2)C[C@@H](C)O1 ZINC001552919452 1075172449 /nfs/dbraw/zinc/17/24/49/1075172449.db2.gz MWIMMPNKVGXUGI-LZJOCLMNSA-N 1 3 371.525 2.569 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC001553441011 1075309198 /nfs/dbraw/zinc/30/91/98/1075309198.db2.gz MTWDNLUJVOFDAO-UXHICEINSA-N 1 3 370.541 2.607 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001556737377 1075770214 /nfs/dbraw/zinc/77/02/14/1075770214.db2.gz CDYODCUZGCPMGY-DXBBTUNJSA-N 1 3 369.553 2.943 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001556737377 1075770218 /nfs/dbraw/zinc/77/02/18/1075770218.db2.gz CDYODCUZGCPMGY-DXBBTUNJSA-N 1 3 369.553 2.943 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccccc1C(C)(C)C ZINC001557451451 1075850542 /nfs/dbraw/zinc/85/05/42/1075850542.db2.gz ZFAZMJHIQSBMST-KRWDZBQOSA-N 1 3 363.546 2.751 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccccc1C(C)(C)C ZINC001557451451 1075850545 /nfs/dbraw/zinc/85/05/45/1075850545.db2.gz ZFAZMJHIQSBMST-KRWDZBQOSA-N 1 3 363.546 2.751 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC001562593962 1076506462 /nfs/dbraw/zinc/50/64/62/1076506462.db2.gz XZRPLWQLIFVXFK-UONOGXRCSA-N 1 3 368.488 2.925 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC001562593962 1076506465 /nfs/dbraw/zinc/50/64/65/1076506465.db2.gz XZRPLWQLIFVXFK-UONOGXRCSA-N 1 3 368.488 2.925 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001564447694 1076633419 /nfs/dbraw/zinc/63/34/19/1076633419.db2.gz NFPMRKGHIZUEEV-IHPCNDPISA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001564447694 1076633421 /nfs/dbraw/zinc/63/34/21/1076633421.db2.gz NFPMRKGHIZUEEV-IHPCNDPISA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001565060842 1076681768 /nfs/dbraw/zinc/68/17/68/1076681768.db2.gz HDMKKIUDPPUJLA-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001565060842 1076681771 /nfs/dbraw/zinc/68/17/71/1076681771.db2.gz HDMKKIUDPPUJLA-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1)CC(C)C ZINC001565377292 1076720485 /nfs/dbraw/zinc/72/04/85/1076720485.db2.gz OFEZBJITYVXIKJ-MJGOQNOKSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1)CC(C)C ZINC001565377292 1076720488 /nfs/dbraw/zinc/72/04/88/1076720488.db2.gz OFEZBJITYVXIKJ-MJGOQNOKSA-N 1 3 352.567 2.869 20 0 FFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001566629136 1076972473 /nfs/dbraw/zinc/97/24/73/1076972473.db2.gz RRMMKLVFFJLWKD-AOIWGVFYSA-N 1 3 365.468 2.568 20 0 FFADHO Cc1cc(CN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)sn1 ZINC001567642586 1077040971 /nfs/dbraw/zinc/04/09/71/1077040971.db2.gz YWOKXVBTBXABCP-NVXWUHKLSA-N 1 3 352.548 2.508 20 0 FFADHO Cc1cc(CN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)sn1 ZINC001567642586 1077040975 /nfs/dbraw/zinc/04/09/75/1077040975.db2.gz YWOKXVBTBXABCP-NVXWUHKLSA-N 1 3 352.548 2.508 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2CCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC001568126053 1077072816 /nfs/dbraw/zinc/07/28/16/1077072816.db2.gz OAKRWEIZXNIBKK-OXQOHEQNSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2CCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC001568126053 1077072820 /nfs/dbraw/zinc/07/28/20/1077072820.db2.gz OAKRWEIZXNIBKK-OXQOHEQNSA-N 1 3 361.505 2.884 20 0 FFADHO CN(C)C[C@H](NC(=O)c1cccc(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC001570001195 1077176502 /nfs/dbraw/zinc/17/65/02/1077176502.db2.gz ADRBOWBEKZUZGS-FQEVSTJZSA-N 1 3 357.473 2.963 20 0 FFADHO Cc1nc(CN[C@@H](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)c(C)o1 ZINC001570774016 1077229669 /nfs/dbraw/zinc/22/96/69/1077229669.db2.gz AAVZRONSTYOQHN-OLMNPRSZSA-N 1 3 364.534 2.594 20 0 FFADHO Cc1nc(CN[C@@H](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)c(C)o1 ZINC001570774016 1077229672 /nfs/dbraw/zinc/22/96/72/1077229672.db2.gz AAVZRONSTYOQHN-OLMNPRSZSA-N 1 3 364.534 2.594 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@H](C)O1 ZINC000078601898 210219323 /nfs/dbraw/zinc/21/93/23/210219323.db2.gz TWELKWSBPFPXJW-CALCHBBNSA-N 1 3 369.509 2.849 20 0 FFADHO C[C@@H]1CN(Cc2ccc(-c3cnn(C)c3)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374996387 512111684 /nfs/dbraw/zinc/11/16/84/512111684.db2.gz PNXXSPPQBCKFNT-APWZRJJASA-N 1 3 373.570 2.606 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000103512818 250159121 /nfs/dbraw/zinc/15/91/21/250159121.db2.gz DRDODUALTSPNAT-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO [NH3+]C1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000131863918 251026251 /nfs/dbraw/zinc/02/62/51/251026251.db2.gz ALFVSWRWAIPURZ-LEOMRAHMSA-N 1 3 369.431 2.827 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538561 251285507 /nfs/dbraw/zinc/28/55/07/251285507.db2.gz QWMBJFZVZZFRQQ-UHFFFAOYSA-N 1 3 365.468 2.729 20 0 FFADHO CCN1CCCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272466328 252045427 /nfs/dbraw/zinc/04/54/27/252045427.db2.gz HVTYDVUAOUJLJH-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272466328 252045430 /nfs/dbraw/zinc/04/54/30/252045430.db2.gz HVTYDVUAOUJLJH-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565501 252068748 /nfs/dbraw/zinc/06/87/48/252068748.db2.gz SPTRBXGBTRYVOX-WJMWBRGCSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565501 252068751 /nfs/dbraw/zinc/06/87/51/252068751.db2.gz SPTRBXGBTRYVOX-WJMWBRGCSA-N 1 3 370.541 2.775 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000272675584 252098155 /nfs/dbraw/zinc/09/81/55/252098155.db2.gz QVDBGUZUCDPDCH-UHFFFAOYSA-N 1 3 372.557 2.725 20 0 FFADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000272860427 252150647 /nfs/dbraw/zinc/15/06/47/252150647.db2.gz LZPLQCQNNHOVKN-MJGOQNOKSA-N 1 3 351.441 2.699 20 0 FFADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000272860426 252150698 /nfs/dbraw/zinc/15/06/98/252150698.db2.gz LZPLQCQNNHOVKN-IEBWSBKVSA-N 1 3 351.441 2.699 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000273484857 252315584 /nfs/dbraw/zinc/31/55/84/252315584.db2.gz ULNKWDNJJIZIIY-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO CCOC1CC(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000286031182 257016869 /nfs/dbraw/zinc/01/68/69/257016869.db2.gz QJJMWCVTXWIUGY-ATKRNPRHSA-N 1 3 357.542 2.694 20 0 FFADHO CCOC1CC(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000286031182 257016870 /nfs/dbraw/zinc/01/68/70/257016870.db2.gz QJJMWCVTXWIUGY-ATKRNPRHSA-N 1 3 357.542 2.694 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000286755396 257053674 /nfs/dbraw/zinc/05/36/74/257053674.db2.gz FNJPKXVNAOGRCW-BAGYTPMASA-N 1 3 357.542 2.836 20 0 FFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000287768744 257110354 /nfs/dbraw/zinc/11/03/54/257110354.db2.gz RLAWWRXJCREAGW-SJLPKXTDSA-N 1 3 372.431 2.843 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000287872035 257124057 /nfs/dbraw/zinc/12/40/57/257124057.db2.gz AVDGIZNHPNILAJ-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000287872035 257124058 /nfs/dbraw/zinc/12/40/58/257124058.db2.gz AVDGIZNHPNILAJ-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO O[C@H](Cc1cccc(Cl)c1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000287902124 257127930 /nfs/dbraw/zinc/12/79/30/257127930.db2.gz UWPUZZDJBVTULN-LJQANCHMSA-N 1 3 366.933 2.820 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000287358359 257085297 /nfs/dbraw/zinc/08/52/97/257085297.db2.gz BBFSZXGJJQWUSL-FWZVCBSNSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000287358359 257085298 /nfs/dbraw/zinc/08/52/98/257085298.db2.gz BBFSZXGJJQWUSL-FWZVCBSNSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288362227 257180105 /nfs/dbraw/zinc/18/01/05/257180105.db2.gz KLBFZGOYSUUYCK-YLJYHZDGSA-N 1 3 371.529 2.566 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288400220 257184292 /nfs/dbraw/zinc/18/42/92/257184292.db2.gz MTPQMMOQOOLYDS-RBBKRZOGSA-N 1 3 353.510 2.738 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288400220 257184294 /nfs/dbraw/zinc/18/42/94/257184294.db2.gz MTPQMMOQOOLYDS-RBBKRZOGSA-N 1 3 353.510 2.738 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000289393880 257278620 /nfs/dbraw/zinc/27/86/20/257278620.db2.gz FKPAGWVZOXUSGG-UHFFFAOYSA-N 1 3 357.542 2.935 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2cncn2C)CC1 ZINC000290137576 257317050 /nfs/dbraw/zinc/31/70/50/257317050.db2.gz VOJNYIDBQMGBTK-MRXNPFEDSA-N 1 3 359.493 2.594 20 0 FFADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290475289 257334097 /nfs/dbraw/zinc/33/40/97/257334097.db2.gz NTHRMDBJCSVFMZ-QFBILLFUSA-N 1 3 360.498 2.791 20 0 FFADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290475289 257334098 /nfs/dbraw/zinc/33/40/98/257334098.db2.gz NTHRMDBJCSVFMZ-QFBILLFUSA-N 1 3 360.498 2.791 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1cccc(C(F)(F)F)c1 ZINC000298239472 257896648 /nfs/dbraw/zinc/89/66/48/257896648.db2.gz CCCMFIMAUHPVOT-INIZCTEOSA-N 1 3 358.404 2.662 20 0 FFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333118340 258251100 /nfs/dbraw/zinc/25/11/00/258251100.db2.gz ADORNJXHZCRBSF-SJORKVTESA-N 1 3 368.591 2.507 20 0 FFADHO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000375023955 512126377 /nfs/dbraw/zinc/12/63/77/512126377.db2.gz WAPSHDSUCMKAIW-GHTZIAJQSA-N 1 3 367.541 2.545 20 0 FFADHO C[C@H]1CN(Cc2cn(C)nc2-c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000375023955 512126374 /nfs/dbraw/zinc/12/63/74/512126374.db2.gz WAPSHDSUCMKAIW-GHTZIAJQSA-N 1 3 367.541 2.545 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000375023955 512126379 /nfs/dbraw/zinc/12/63/79/512126379.db2.gz WAPSHDSUCMKAIW-GHTZIAJQSA-N 1 3 367.541 2.545 20 0 FFADHO CN(C)CCNC(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096052906 222003835 /nfs/dbraw/zinc/00/38/35/222003835.db2.gz JXNCDERVFVCNMI-IBGZPJMESA-N 1 3 369.553 2.985 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000368927871 512140006 /nfs/dbraw/zinc/14/00/06/512140006.db2.gz YQYTUHDGUALZTA-NRFANRHFSA-N 1 3 370.541 2.527 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CN1CCCC1 ZINC000387307164 512892045 /nfs/dbraw/zinc/89/20/45/512892045.db2.gz OPIASEMMSKUEKK-GOEBONIOSA-N 1 3 371.319 2.510 20 0 FFADHO CN(C)CC[C@@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(C)(C)C ZINC000377807055 512458495 /nfs/dbraw/zinc/45/84/95/512458495.db2.gz MYIXKUZKMFGXAW-QZTJIDSGSA-N 1 3 367.559 2.667 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000375328172 512270309 /nfs/dbraw/zinc/27/03/09/512270309.db2.gz SSUONAYGRSNJKH-YADHBBJMSA-N 1 3 357.542 2.838 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000042813898 506670553 /nfs/dbraw/zinc/67/05/53/506670553.db2.gz SXHGWXCGCXGWBC-QUCCMNQESA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000042813898 506670560 /nfs/dbraw/zinc/67/05/60/506670560.db2.gz SXHGWXCGCXGWBC-QUCCMNQESA-N 1 3 358.530 2.997 20 0 FFADHO CCN(CC)[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000067483139 506896606 /nfs/dbraw/zinc/89/66/06/506896606.db2.gz LMPBVJSENMRZDH-NRFANRHFSA-N 1 3 374.573 2.554 20 0 FFADHO CCN(CC)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000067483139 506896609 /nfs/dbraw/zinc/89/66/09/506896609.db2.gz LMPBVJSENMRZDH-NRFANRHFSA-N 1 3 374.573 2.554 20 0 FFADHO CCN(CC)[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000067483139 506896616 /nfs/dbraw/zinc/89/66/16/506896616.db2.gz LMPBVJSENMRZDH-NRFANRHFSA-N 1 3 374.573 2.554 20 0 FFADHO CC[NH+](CC)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000067550751 506923052 /nfs/dbraw/zinc/92/30/52/506923052.db2.gz IPTDEXQJMVJNMS-UHFFFAOYSA-N 1 3 364.559 2.741 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000067684687 506974553 /nfs/dbraw/zinc/97/45/53/506974553.db2.gz KIAUSMXQEQXDIN-IBGZPJMESA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000067684687 506974560 /nfs/dbraw/zinc/97/45/60/506974560.db2.gz KIAUSMXQEQXDIN-IBGZPJMESA-N 1 3 372.557 2.989 20 0 FFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC1CCN(C2CC2)CC1 ZINC000067772355 507005006 /nfs/dbraw/zinc/00/50/06/507005006.db2.gz BIQJTMZSTXQMFV-UHFFFAOYSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NCCN1CCCCC1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000057775557 507325414 /nfs/dbraw/zinc/32/54/14/507325414.db2.gz PXGBREOYEYGOEC-UHFFFAOYSA-N 1 3 364.559 2.745 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000050800858 507713721 /nfs/dbraw/zinc/71/37/21/507713721.db2.gz GHVMCQPQNDKPKB-UHFFFAOYSA-N 1 3 359.558 2.878 20 0 FFADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000050797175 507714173 /nfs/dbraw/zinc/71/41/73/507714173.db2.gz UGNUGMIXOVIJSW-MRXNPFEDSA-N 1 3 361.505 2.994 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000072955522 507876267 /nfs/dbraw/zinc/87/62/67/507876267.db2.gz STQYNVJDLFTTFR-WMZOPIPTSA-N 1 3 358.530 2.843 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000108590383 507907223 /nfs/dbraw/zinc/90/72/23/507907223.db2.gz FZLXEGCNERUGQA-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000108590383 507907226 /nfs/dbraw/zinc/90/72/26/507907226.db2.gz FZLXEGCNERUGQA-OAQYLSRUSA-N 1 3 372.557 2.882 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091232810 507972244 /nfs/dbraw/zinc/97/22/44/507972244.db2.gz LKJZTNLZCOQJRI-IBGZPJMESA-N 1 3 373.545 2.671 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091232810 507972248 /nfs/dbraw/zinc/97/22/48/507972248.db2.gz LKJZTNLZCOQJRI-IBGZPJMESA-N 1 3 373.545 2.671 20 0 FFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091367501 507982412 /nfs/dbraw/zinc/98/24/12/507982412.db2.gz UPVACRQFNOHVQA-CQSZACIVSA-N 1 3 363.937 2.903 20 0 FFADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000074099188 507985650 /nfs/dbraw/zinc/98/56/50/507985650.db2.gz NBPRHFIOYMSWNK-HKUYNNGSSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000074099188 507985653 /nfs/dbraw/zinc/98/56/53/507985653.db2.gz NBPRHFIOYMSWNK-HKUYNNGSSA-N 1 3 358.530 2.633 20 0 FFADHO NC(=O)[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000091553875 507992721 /nfs/dbraw/zinc/99/27/21/507992721.db2.gz AFAWJGCTBUAFMB-OAQYLSRUSA-N 1 3 367.493 2.520 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000080079061 508034655 /nfs/dbraw/zinc/03/46/55/508034655.db2.gz YFCMQXXAODAVCD-YZGWKJHDSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000080079061 508034657 /nfs/dbraw/zinc/03/46/57/508034657.db2.gz YFCMQXXAODAVCD-YZGWKJHDSA-N 1 3 370.541 2.823 20 0 FFADHO CCN1CCN(c2ccccc2CN2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000092047275 508038013 /nfs/dbraw/zinc/03/80/13/508038013.db2.gz WIJIDQDUYMEJIJ-NRFANRHFSA-N 1 3 356.558 2.889 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000074834184 508059612 /nfs/dbraw/zinc/05/96/12/508059612.db2.gz JOWIBBLEECWKAK-HXUWFJFHSA-N 1 3 358.530 2.622 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000074834184 508059614 /nfs/dbraw/zinc/05/96/14/508059614.db2.gz JOWIBBLEECWKAK-HXUWFJFHSA-N 1 3 358.530 2.622 20 0 FFADHO CC(=O)Nc1ccccc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587503 508085390 /nfs/dbraw/zinc/08/53/90/508085390.db2.gz SWVIPZQGWZJBKT-IRXDYDNUSA-N 1 3 359.514 2.966 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCN(Cc3ccccc3)CC1)C2 ZINC000075313457 508096835 /nfs/dbraw/zinc/09/68/35/508096835.db2.gz ALVFVSKPAPHWIR-SEJPIABJSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCN(Cc3ccccc3)CC1)C2 ZINC000075313457 508096836 /nfs/dbraw/zinc/09/68/36/508096836.db2.gz ALVFVSKPAPHWIR-SEJPIABJSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@@H](C)O1 ZINC000075684787 508128722 /nfs/dbraw/zinc/12/87/22/508128722.db2.gz DUNHUEQPVBJHFJ-QZTJIDSGSA-N 1 3 358.526 2.985 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000111874970 508132636 /nfs/dbraw/zinc/13/26/36/508132636.db2.gz PKBYTDBUJRWRFA-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN(C[C@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000075834175 508136221 /nfs/dbraw/zinc/13/62/21/508136221.db2.gz VUMXTHDLOYOWHH-LYBXBRPPSA-N 1 3 365.562 2.647 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(F)cccc1F ZINC000076330586 508187781 /nfs/dbraw/zinc/18/77/81/508187781.db2.gz UHHHHLIHXPQNPA-CQSZACIVSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(F)cccc1F ZINC000076330586 508187784 /nfs/dbraw/zinc/18/77/84/508187784.db2.gz UHHHHLIHXPQNPA-CQSZACIVSA-N 1 3 354.445 2.845 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076993838 508272345 /nfs/dbraw/zinc/27/23/45/508272345.db2.gz SRFUNXCYIRRDJJ-UONOGXRCSA-N 1 3 355.885 2.534 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000084437617 508279213 /nfs/dbraw/zinc/27/92/13/508279213.db2.gz NTJMLBLSAIJBMO-QGZVFWFLSA-N 1 3 366.575 2.942 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000084437617 508279216 /nfs/dbraw/zinc/27/92/16/508279216.db2.gz NTJMLBLSAIJBMO-QGZVFWFLSA-N 1 3 366.575 2.942 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000085391990 508305820 /nfs/dbraw/zinc/30/58/20/508305820.db2.gz PGFZYBMDIJPINX-XLIONFOSSA-N 1 3 372.557 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000085391990 508305821 /nfs/dbraw/zinc/30/58/21/508305821.db2.gz PGFZYBMDIJPINX-XLIONFOSSA-N 1 3 372.557 2.805 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000103305342 508306074 /nfs/dbraw/zinc/30/60/74/508306074.db2.gz DRLSWTJOMKHTEY-FPOVZHCZSA-N 1 3 372.557 2.582 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000103305342 508306077 /nfs/dbraw/zinc/30/60/77/508306077.db2.gz DRLSWTJOMKHTEY-FPOVZHCZSA-N 1 3 372.557 2.582 20 0 FFADHO Cc1ccc(-c2nc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cs2)cc1 ZINC000104532907 508338222 /nfs/dbraw/zinc/33/82/22/508338222.db2.gz VZHWNGLTMISLTC-UHFFFAOYSA-N 1 3 374.554 2.613 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCC[C@@H](C)C1 ZINC000105127181 508362638 /nfs/dbraw/zinc/36/26/38/508362638.db2.gz DSHPVZYNOTXXSD-CEXWTWQISA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000105198590 508365025 /nfs/dbraw/zinc/36/50/25/508365025.db2.gz DLBCVQXZCLNWGP-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000105207673 508365468 /nfs/dbraw/zinc/36/54/68/508365468.db2.gz ZWGGOTJSGMNRLI-WOJBJXKFSA-N 1 3 358.530 2.868 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088576857 508376687 /nfs/dbraw/zinc/37/66/87/508376687.db2.gz BNBLFTWZINHAKV-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088576857 508376688 /nfs/dbraw/zinc/37/66/88/508376688.db2.gz BNBLFTWZINHAKV-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000115435359 508394091 /nfs/dbraw/zinc/39/40/91/508394091.db2.gz OCWOMCWIZBATLQ-IBGZPJMESA-N 1 3 372.557 2.631 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000115435359 508394093 /nfs/dbraw/zinc/39/40/93/508394093.db2.gz OCWOMCWIZBATLQ-IBGZPJMESA-N 1 3 372.557 2.631 20 0 FFADHO CCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(CCCOCC)C[C@@H]2C)cc1 ZINC000156499749 508429804 /nfs/dbraw/zinc/42/98/04/508429804.db2.gz FWOZLVOZIFMMGS-FXAWDEMLSA-N 1 3 361.530 2.663 20 0 FFADHO COCCCn1nccc1C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000367226003 512395431 /nfs/dbraw/zinc/39/54/31/512395431.db2.gz SRKVWLOUPMMKFI-NRFANRHFSA-N 1 3 356.514 2.921 20 0 FFADHO CC[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000115797248 508439189 /nfs/dbraw/zinc/43/91/89/508439189.db2.gz DTMLFHARAGLWMC-GHTZIAJQSA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000115797248 508439191 /nfs/dbraw/zinc/43/91/91/508439191.db2.gz DTMLFHARAGLWMC-GHTZIAJQSA-N 1 3 372.557 2.807 20 0 FFADHO CN(c1ccccc1CNC[C@H](O)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000133982706 508476738 /nfs/dbraw/zinc/47/67/38/508476738.db2.gz GURHWWLJDBATME-JOCHJYFZSA-N 1 3 367.537 2.910 20 0 FFADHO CN(c1ccccc1C[NH2+]C[C@H](O)Cc1ccccc1)C1CCN(C)CC1 ZINC000133982706 508476739 /nfs/dbraw/zinc/47/67/39/508476739.db2.gz GURHWWLJDBATME-JOCHJYFZSA-N 1 3 367.537 2.910 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000127788518 508500746 /nfs/dbraw/zinc/50/07/46/508500746.db2.gz UARIBBWAFSRONA-YZGWKJHDSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000127788518 508500753 /nfs/dbraw/zinc/50/07/53/508500753.db2.gz UARIBBWAFSRONA-YZGWKJHDSA-N 1 3 370.541 2.775 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000122232083 508503109 /nfs/dbraw/zinc/50/31/09/508503109.db2.gz QMJWLYKPLAOPSB-UHFFFAOYSA-N 1 3 371.529 2.838 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000122232083 508503113 /nfs/dbraw/zinc/50/31/13/508503113.db2.gz QMJWLYKPLAOPSB-UHFFFAOYSA-N 1 3 371.529 2.838 20 0 FFADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000122549248 508552859 /nfs/dbraw/zinc/55/28/59/508552859.db2.gz XFKGIRDYEZRBMH-HNNXBMFYSA-N 1 3 363.502 2.885 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccco2)N(C)C)cc1 ZINC000122580531 508557844 /nfs/dbraw/zinc/55/78/44/508557844.db2.gz RXBOHHNUWIEFKJ-FQEVSTJZSA-N 1 3 372.513 2.964 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000153693716 508627273 /nfs/dbraw/zinc/62/72/73/508627273.db2.gz QBYMAWHGVXVZNT-OAQYLSRUSA-N 1 3 373.541 2.788 20 0 FFADHO CC[N@@H+]1CC[C@H](NCCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000158085828 508655373 /nfs/dbraw/zinc/65/53/73/508655373.db2.gz MXGFLUANHNZOOO-HIFRSBDPSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+]1CC[C@H](NCCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000158085828 508655376 /nfs/dbraw/zinc/65/53/76/508655376.db2.gz MXGFLUANHNZOOO-HIFRSBDPSA-N 1 3 353.894 2.997 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cccc(F)c3F)CC2)CC1 ZINC000154072544 508712143 /nfs/dbraw/zinc/71/21/43/508712143.db2.gz AKERZGQLQOKHIN-UHFFFAOYSA-N 1 3 365.468 2.572 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000130030054 508788861 /nfs/dbraw/zinc/78/88/61/508788861.db2.gz HGTUNOTZSIEJKT-ZWKOTPCHSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CN1C1CC1 ZINC000119448996 508798783 /nfs/dbraw/zinc/79/87/83/508798783.db2.gz SHXXEDHFIXVXFE-LPHOPBHVSA-N 1 3 356.514 2.707 20 0 FFADHO CC[C@@]1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000119736968 508853332 /nfs/dbraw/zinc/85/33/32/508853332.db2.gz RCVWKAGEDSKECR-JOCHJYFZSA-N 1 3 373.541 2.564 20 0 FFADHO CC[C@H]1CCCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119871061 508880785 /nfs/dbraw/zinc/88/07/85/508880785.db2.gz YSYXAORNKUKHIF-SFHVURJKSA-N 1 3 350.551 2.909 20 0 FFADHO CN(c1ccccc1C[NH2+]CCCNC(=O)C1CCC1)C1CCN(C)CC1 ZINC000151079159 508951945 /nfs/dbraw/zinc/95/19/45/508951945.db2.gz KMEPXMGOZJUJNP-UHFFFAOYSA-N 1 3 372.557 2.613 20 0 FFADHO Cc1ccc([C@@H](C)CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000125674156 509014948 /nfs/dbraw/zinc/01/49/48/509014948.db2.gz ZIRWVNWGMLXUNN-SFHVURJKSA-N 1 3 372.557 2.956 20 0 FFADHO [NH3+]C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000155626262 509040493 /nfs/dbraw/zinc/04/04/93/509040493.db2.gz YXGCRKIOOFUIQH-OAQYLSRUSA-N 1 3 372.557 2.613 20 0 FFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000120801306 509067751 /nfs/dbraw/zinc/06/77/51/509067751.db2.gz QXGYJKGNPDMECD-KBPBESRZSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000120801306 509067752 /nfs/dbraw/zinc/06/77/52/509067752.db2.gz QXGYJKGNPDMECD-KBPBESRZSA-N 1 3 353.894 2.997 20 0 FFADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000120801306 509067754 /nfs/dbraw/zinc/06/77/54/509067754.db2.gz QXGYJKGNPDMECD-KBPBESRZSA-N 1 3 353.894 2.997 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CN1Cc1ccccc1 ZINC000151734730 509074447 /nfs/dbraw/zinc/07/44/47/509074447.db2.gz GXPJYRRTYICRBK-RLLQIKCJSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CN1Cc1ccccc1 ZINC000151734730 509074450 /nfs/dbraw/zinc/07/44/50/509074450.db2.gz GXPJYRRTYICRBK-RLLQIKCJSA-N 1 3 370.541 2.966 20 0 FFADHO c1ccc(CCN2CCC([NH2+]C3CCN(C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000132866311 509084750 /nfs/dbraw/zinc/08/47/50/509084750.db2.gz DZTDZFZLJYLNNT-NRFANRHFSA-N 1 3 371.569 2.784 20 0 FFADHO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc(OCCN(C)C)c1 ZINC000126594521 509099815 /nfs/dbraw/zinc/09/98/15/509099815.db2.gz JRSPOPKNYNMNPG-QGZVFWFLSA-N 1 3 371.529 2.838 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc4ccccc43)CC[C@H]21 ZINC000247882099 509184855 /nfs/dbraw/zinc/18/48/55/509184855.db2.gz BVXTYALWCJWXOU-SFHLNBCPSA-N 1 3 354.494 2.996 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc4ccccc43)CC[C@H]21 ZINC000247882099 509184860 /nfs/dbraw/zinc/18/48/60/509184860.db2.gz BVXTYALWCJWXOU-SFHLNBCPSA-N 1 3 354.494 2.996 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CC1 ZINC000182346785 509187459 /nfs/dbraw/zinc/18/74/59/509187459.db2.gz LZHYAQKICKSSHF-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CC[NH+](Cc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)CC1 ZINC000188712470 509227328 /nfs/dbraw/zinc/22/73/28/509227328.db2.gz KPAXWDQCMYGTRY-UHFFFAOYSA-N 1 3 353.470 2.540 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176025390 509279104 /nfs/dbraw/zinc/27/91/04/509279104.db2.gz SSJMTCLOUNOPTP-UHFFFAOYSA-N 1 3 373.545 2.562 20 0 FFADHO CN(c1ccccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1)C1CCN(C)CC1 ZINC000179371491 509405765 /nfs/dbraw/zinc/40/57/65/509405765.db2.gz YXMJTGBNYRNPET-IBGZPJMESA-N 1 3 373.541 2.802 20 0 FFADHO CN(c1ccccc1C[N@H+]1CCC[C@H](C2OCCO2)C1)C1CCN(C)CC1 ZINC000179371491 509405776 /nfs/dbraw/zinc/40/57/76/509405776.db2.gz YXMJTGBNYRNPET-IBGZPJMESA-N 1 3 373.541 2.802 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000173141213 509416853 /nfs/dbraw/zinc/41/68/53/509416853.db2.gz FKZASNGKHNUSMN-IBGZPJMESA-N 1 3 372.513 2.885 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000163931097 509442522 /nfs/dbraw/zinc/44/25/22/509442522.db2.gz JIHAVYMSMXLSGK-MQSCRBSSSA-N 1 3 372.601 2.903 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000248732181 509458440 /nfs/dbraw/zinc/45/84/40/509458440.db2.gz DHCHUBAOPWSWAU-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000248732181 509458446 /nfs/dbraw/zinc/45/84/46/509458446.db2.gz DHCHUBAOPWSWAU-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CC1CC[NH2+]CC1 ZINC000236603518 509462201 /nfs/dbraw/zinc/46/22/01/509462201.db2.gz WEEMJFRXUWZSND-HXUWFJFHSA-N 1 3 357.542 2.965 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])cc2)CC1 ZINC000236612109 509463790 /nfs/dbraw/zinc/46/37/90/509463790.db2.gz WOLLMEGEIYUMAL-PXNSSMCTSA-N 1 3 358.530 2.559 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236903926 509530142 /nfs/dbraw/zinc/53/01/42/509530142.db2.gz KSVHXLAAHIEHGX-PMACEKPBSA-N 1 3 355.526 2.747 20 0 FFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173346124 509544104 /nfs/dbraw/zinc/54/41/04/509544104.db2.gz FAROTLMPCSWLKA-LJQANCHMSA-N 1 3 360.546 2.831 20 0 FFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000165360572 509569140 /nfs/dbraw/zinc/56/91/40/509569140.db2.gz RDGJBLAQKLUDPZ-SJORKVTESA-N 1 3 353.576 2.762 20 0 FFADHO C[C@@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000237412186 509642532 /nfs/dbraw/zinc/64/25/32/509642532.db2.gz KOLHTWIZEICZIA-ROUUACIJSA-N 1 3 367.603 2.880 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000192789362 509645371 /nfs/dbraw/zinc/64/53/71/509645371.db2.gz JWFUTQKOGQSAAI-LJQANCHMSA-N 1 3 355.530 2.939 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183195629 509653020 /nfs/dbraw/zinc/65/30/20/509653020.db2.gz NXXJUYAQSNOJIL-LZLYRXPVSA-N 1 3 354.502 2.966 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)CNC[C@@H]2CCCO2)CCCC1)c1ccccc1 ZINC000237525089 509668768 /nfs/dbraw/zinc/66/87/68/509668768.db2.gz PLVLXABVMIQEGJ-HKUYNNGSSA-N 1 3 359.514 2.535 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(F)cc(F)c1 ZINC000173705951 509729569 /nfs/dbraw/zinc/72/95/69/509729569.db2.gz XYGIGQKHBDYWFH-SFHVURJKSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(F)cc(F)c1 ZINC000173705951 509729574 /nfs/dbraw/zinc/72/95/74/509729574.db2.gz XYGIGQKHBDYWFH-SFHVURJKSA-N 1 3 368.472 2.522 20 0 FFADHO CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814259 509789144 /nfs/dbraw/zinc/78/91/44/509789144.db2.gz MHCVIBBWDOQLRG-IBGZPJMESA-N 1 3 372.557 2.866 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252692290 509857333 /nfs/dbraw/zinc/85/73/33/509857333.db2.gz UFIIAAIWFWHKFW-DOADOZAASA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252692290 509857339 /nfs/dbraw/zinc/85/73/39/509857339.db2.gz UFIIAAIWFWHKFW-DOADOZAASA-N 1 3 362.562 2.765 20 0 FFADHO CC(C)N(C(=O)[C@H](C)N1CCC(OCC[NH+]2CCCC2)CC1)C(C)C ZINC000173945563 509868902 /nfs/dbraw/zinc/86/89/02/509868902.db2.gz XIDBFIPEMXSCIX-SFHVURJKSA-N 1 3 353.551 2.597 20 0 FFADHO O=c1[nH]c2ccccc2cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173954654 509874298 /nfs/dbraw/zinc/87/42/98/509874298.db2.gz YFNUQGBDXYDWLP-UHFFFAOYSA-N 1 3 355.482 2.605 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000190008255 509882811 /nfs/dbraw/zinc/88/28/11/509882811.db2.gz QKETXBHEWMLQLY-ZGXWSNOMSA-N 1 3 367.578 2.750 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nc(C2CC2)cs1 ZINC000171165824 509983443 /nfs/dbraw/zinc/98/34/43/509983443.db2.gz NIESYZZHTVNUEA-HNNXBMFYSA-N 1 3 365.547 2.900 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nc(C2CC2)cs1 ZINC000171165824 509983446 /nfs/dbraw/zinc/98/34/46/509983446.db2.gz NIESYZZHTVNUEA-HNNXBMFYSA-N 1 3 365.547 2.900 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC000177301898 509986858 /nfs/dbraw/zinc/98/68/58/509986858.db2.gz WYOWNFFNVJDJAX-DYESRHJHSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261604659 509998292 /nfs/dbraw/zinc/99/82/92/509998292.db2.gz AKCXUBHBXROUOQ-LZJOCLMNSA-N 1 3 373.541 2.535 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261846747 510088021 /nfs/dbraw/zinc/08/80/21/510088021.db2.gz MCXDRQZORLVJMH-XLIONFOSSA-N 1 3 357.542 2.965 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000261934576 510120882 /nfs/dbraw/zinc/12/08/82/510120882.db2.gz LWSYPTFKPHBQBX-HKUYNNGSSA-N 1 3 361.555 2.951 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](C[C@H]1CCCNC1)CC2 ZINC000261934576 510120887 /nfs/dbraw/zinc/12/08/87/510120887.db2.gz LWSYPTFKPHBQBX-HKUYNNGSSA-N 1 3 361.555 2.951 20 0 FFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000261967599 510132506 /nfs/dbraw/zinc/13/25/06/510132506.db2.gz BXQLQMJJAWISLA-OAHLLOKOSA-N 1 3 365.493 2.503 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CN1C1CC1 ZINC000177605801 510156725 /nfs/dbraw/zinc/15/67/25/510156725.db2.gz RHCUWBBCLKXCAI-VQIMIIECSA-N 1 3 356.514 2.707 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(OCCN(C)C)c1 ZINC000265679657 510171350 /nfs/dbraw/zinc/17/13/50/510171350.db2.gz BOGNPVSYHVYKLQ-FUHWJXTLSA-N 1 3 360.502 2.684 20 0 FFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(OCCN(C)C)c1 ZINC000265679657 510171357 /nfs/dbraw/zinc/17/13/57/510171357.db2.gz BOGNPVSYHVYKLQ-FUHWJXTLSA-N 1 3 360.502 2.684 20 0 FFADHO Fc1ccc(COc2cccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262086731 510171839 /nfs/dbraw/zinc/17/18/39/510171839.db2.gz GBQHUJSTEPKFTA-OAQYLSRUSA-N 1 3 369.484 2.884 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194025694 510180311 /nfs/dbraw/zinc/18/03/11/510180311.db2.gz XMOHMZOFQRYJRA-APWZRJJASA-N 1 3 353.938 2.891 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177687206 510199571 /nfs/dbraw/zinc/19/95/71/510199571.db2.gz BORJCINQFHBONT-UXHICEINSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177687206 510199578 /nfs/dbraw/zinc/19/95/78/510199578.db2.gz BORJCINQFHBONT-UXHICEINSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000245917404 510204700 /nfs/dbraw/zinc/20/47/00/510204700.db2.gz NHKWMDYGODJNRW-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180991913 510226637 /nfs/dbraw/zinc/22/66/37/510226637.db2.gz JOGUZMCOIVEQKJ-IBGZPJMESA-N 1 3 366.465 2.835 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180991913 510226642 /nfs/dbraw/zinc/22/66/42/510226642.db2.gz JOGUZMCOIVEQKJ-IBGZPJMESA-N 1 3 366.465 2.835 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171621981 510257401 /nfs/dbraw/zinc/25/74/01/510257401.db2.gz SZQRZTBQXFRRSM-NRFANRHFSA-N 1 3 370.541 2.705 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000181064585 510265891 /nfs/dbraw/zinc/26/58/91/510265891.db2.gz SJCUBSLTUKXWPT-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000181064585 510265897 /nfs/dbraw/zinc/26/58/97/510265897.db2.gz SJCUBSLTUKXWPT-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000194248103 510277440 /nfs/dbraw/zinc/27/74/40/510277440.db2.gz MCOMSWNQGNOKJJ-UHFFFAOYSA-N 1 3 370.541 2.825 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246187667 510347446 /nfs/dbraw/zinc/34/74/46/510347446.db2.gz MGVNDZPMVPJYLR-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246187667 510347457 /nfs/dbraw/zinc/34/74/57/510347457.db2.gz MGVNDZPMVPJYLR-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000262644652 510350039 /nfs/dbraw/zinc/35/00/39/510350039.db2.gz IEBPAWJSAYUQAV-HDICACEKSA-N 1 3 365.562 2.634 20 0 FFADHO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000194462175 510377063 /nfs/dbraw/zinc/37/70/63/510377063.db2.gz DEWFMXSDGTZCIM-UHFFFAOYSA-N 1 3 362.562 2.768 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000184561216 510389323 /nfs/dbraw/zinc/38/93/23/510389323.db2.gz AMECUIDLOFUCAI-PZJWPPBQSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000184561216 510389325 /nfs/dbraw/zinc/38/93/25/510389325.db2.gz AMECUIDLOFUCAI-PZJWPPBQSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000178041276 510395314 /nfs/dbraw/zinc/39/53/14/510395314.db2.gz QOKOZDMVCIKHKO-BBWFWOEESA-N 1 3 368.543 2.630 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C12CCC2 ZINC000181541694 510462795 /nfs/dbraw/zinc/46/27/95/510462795.db2.gz WXTSKLODMLIPRK-RTWAWAEBSA-N 1 3 357.542 2.871 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000184688842 510464398 /nfs/dbraw/zinc/46/43/98/510464398.db2.gz OYCLDAVWIWKQJM-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000184688842 510464403 /nfs/dbraw/zinc/46/44/03/510464403.db2.gz OYCLDAVWIWKQJM-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000246398400 510467970 /nfs/dbraw/zinc/46/79/70/510467970.db2.gz CYJJSXZWMRKTBH-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(OCCN(C)C)cc1 ZINC000178190029 510479724 /nfs/dbraw/zinc/47/97/24/510479724.db2.gz ATSPRBAZRDJNAG-HKUYNNGSSA-N 1 3 369.513 2.737 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000246528893 510539226 /nfs/dbraw/zinc/53/92/26/510539226.db2.gz XSPGFHHPZVOVDN-MKXGPGLRSA-N 1 3 350.551 2.623 20 0 FFADHO NCc1cc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc(C(F)(F)F)c1 ZINC000263072558 510546874 /nfs/dbraw/zinc/54/68/74/510546874.db2.gz ZTDHKBANURTJTQ-CQSZACIVSA-N 1 3 367.375 2.537 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000246567791 510560663 /nfs/dbraw/zinc/56/06/63/510560663.db2.gz UUWYSDKNBBMONH-CUWPLCDZSA-N 1 3 373.541 2.974 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000172136036 510560827 /nfs/dbraw/zinc/56/08/27/510560827.db2.gz GAICIEGZOBWQKN-GOSISDBHSA-N 1 3 372.557 2.807 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000172136036 510560835 /nfs/dbraw/zinc/56/08/35/510560835.db2.gz GAICIEGZOBWQKN-GOSISDBHSA-N 1 3 372.557 2.807 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c2)CC1 ZINC000184928513 510590895 /nfs/dbraw/zinc/59/08/95/510590895.db2.gz VXHVCXAZBARTNX-QGZVFWFLSA-N 1 3 361.534 2.680 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000246647413 510601370 /nfs/dbraw/zinc/60/13/70/510601370.db2.gz VBJDASZKCJPEIU-RSPOEFSDSA-N 1 3 358.530 2.821 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263233580 510622971 /nfs/dbraw/zinc/62/29/71/510622971.db2.gz CTKORONWQRDGQR-DKKFBQAASA-N 1 3 361.555 2.997 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000266565005 510661540 /nfs/dbraw/zinc/66/15/40/510661540.db2.gz WBJIIMHQIUVHHF-GOSISDBHSA-N 1 3 370.541 2.919 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000172312141 510663343 /nfs/dbraw/zinc/66/33/43/510663343.db2.gz WCUSUIIQCYNQKZ-UHFFFAOYSA-N 1 3 372.557 2.943 20 0 FFADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000195132626 510680687 /nfs/dbraw/zinc/68/06/87/510680687.db2.gz KKFFOWKYGPZQDJ-MJGOQNOKSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000195132626 510680695 /nfs/dbraw/zinc/68/06/95/510680695.db2.gz KKFFOWKYGPZQDJ-MJGOQNOKSA-N 1 3 362.481 2.835 20 0 FFADHO NC[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000178688106 510722103 /nfs/dbraw/zinc/72/21/03/510722103.db2.gz ULZWRCGRQKGZDM-OAQYLSRUSA-N 1 3 351.494 2.552 20 0 FFADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000178688688 510723583 /nfs/dbraw/zinc/72/35/83/510723583.db2.gz MUEGHTPSHDZIBM-HLAWJBBLSA-N 1 3 355.526 2.730 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000246876648 510723536 /nfs/dbraw/zinc/72/35/36/510723536.db2.gz CUWZCLPHXKHFKL-FGTMMUONSA-N 1 3 357.502 2.807 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000246917989 510745548 /nfs/dbraw/zinc/74/55/48/510745548.db2.gz GGBBWVRRQZADBZ-ARWBCWGVSA-N 1 3 373.541 2.754 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000175785556 510790073 /nfs/dbraw/zinc/79/00/73/510790073.db2.gz RAZAYOWSFICZGY-WOJBJXKFSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172596711 510812602 /nfs/dbraw/zinc/81/26/02/510812602.db2.gz IOVYXBSLZYHBKD-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172596711 510812606 /nfs/dbraw/zinc/81/26/06/510812606.db2.gz IOVYXBSLZYHBKD-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178873612 510815679 /nfs/dbraw/zinc/81/56/79/510815679.db2.gz LIZRUAHLHVHAGU-AZUAARDMSA-N 1 3 372.557 2.788 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC1CC[NH+](CC)CC1 ZINC000263782172 510838447 /nfs/dbraw/zinc/83/84/47/510838447.db2.gz ZYNXBOBOFVSBMV-FQEVSTJZSA-N 1 3 373.545 2.562 20 0 FFADHO C[C@H](CS(C)(=O)=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000182331349 510851003 /nfs/dbraw/zinc/85/10/03/510851003.db2.gz MIEZEJCNNAGTFE-MRXNPFEDSA-N 1 3 360.523 2.938 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247453293 510861318 /nfs/dbraw/zinc/86/13/18/510861318.db2.gz PJFPHEBRTKRZPT-DOTOQJQBSA-N 1 3 352.548 2.770 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247453293 510861319 /nfs/dbraw/zinc/86/13/19/510861319.db2.gz PJFPHEBRTKRZPT-DOTOQJQBSA-N 1 3 352.548 2.770 20 0 FFADHO COC(=O)c1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)[nH]1 ZINC000285353581 510873641 /nfs/dbraw/zinc/87/36/41/510873641.db2.gz YQZYYEAAIWYSSL-UHFFFAOYSA-N 1 3 357.454 2.564 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285437785 510906970 /nfs/dbraw/zinc/90/69/70/510906970.db2.gz IBKHPQUZKXAEFU-QZTJIDSGSA-N 1 3 365.468 2.554 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000285477599 510921672 /nfs/dbraw/zinc/92/16/72/510921672.db2.gz BOAMWMIIRVCYPL-RXVVDRJESA-N 1 3 370.541 2.919 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1OC ZINC000285557342 510955399 /nfs/dbraw/zinc/95/53/99/510955399.db2.gz HAQPVGZYUNGWNN-MRXNPFEDSA-N 1 3 363.546 2.559 20 0 FFADHO COc1ccc(CC[C@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1O ZINC000277285023 510958362 /nfs/dbraw/zinc/95/83/62/510958362.db2.gz SXBABMSTHFYNGB-INIZCTEOSA-N 1 3 373.497 2.847 20 0 FFADHO COc1ccccc1N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297716554 511044569 /nfs/dbraw/zinc/04/45/69/511044569.db2.gz RKGFEUIPJBKVAT-SFHVURJKSA-N 1 3 352.482 2.928 20 0 FFADHO CN(c1ccccc1CNC[C@@H]1COC2(CCCC2)O1)C1CC[NH+](C)CC1 ZINC000271411687 511196088 /nfs/dbraw/zinc/19/60/88/511196088.db2.gz KHUXYXQRUUOWJH-HXUWFJFHSA-N 1 3 373.541 2.992 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000271508690 511228479 /nfs/dbraw/zinc/22/84/79/511228479.db2.gz NJIBHKHOCXOQAM-HGSOSGBHSA-N 1 3 371.569 2.864 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000279838785 511235297 /nfs/dbraw/zinc/23/52/97/511235297.db2.gz LCGQUHFBUPUCRG-OAQYLSRUSA-N 1 3 371.525 2.823 20 0 FFADHO c1cc(N2CCC([NH2+]Cc3ccnc(OC4CCOCC4)c3)CC2)ccn1 ZINC000298338272 511250523 /nfs/dbraw/zinc/25/05/23/511250523.db2.gz JFHPMFCIBZNOAU-UHFFFAOYSA-N 1 3 368.481 2.793 20 0 FFADHO CN1CCN(CCC[NH2+]C2CCN(C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000298412258 511275642 /nfs/dbraw/zinc/27/56/42/511275642.db2.gz MGSLXCFFDFFFJH-QFIPXVFZSA-N 1 3 356.558 2.582 20 0 FFADHO O=C(NCCC[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000298532965 511319301 /nfs/dbraw/zinc/31/93/01/511319301.db2.gz SHJGQWWSWIOCKU-UHFFFAOYSA-N 1 3 356.445 2.599 20 0 FFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000298564479 511331206 /nfs/dbraw/zinc/33/12/06/511331206.db2.gz WIWPGPCHOSVUFS-OAHLLOKOSA-N 1 3 350.466 2.920 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCN3CCC4(CCCCC4)CC3)C[C@@H]21 ZINC000333793284 511358146 /nfs/dbraw/zinc/35/81/46/511358146.db2.gz MTDQLBSCSCZZDH-CEXWTWQISA-N 1 3 362.562 2.802 20 0 FFADHO C[C@@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000299109993 511518120 /nfs/dbraw/zinc/51/81/20/511518120.db2.gz WXINHBIDOPGNHT-OTWHNJEPSA-N 1 3 372.557 2.808 20 0 FFADHO C[C@@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000299109993 511518123 /nfs/dbraw/zinc/51/81/23/511518123.db2.gz WXINHBIDOPGNHT-OTWHNJEPSA-N 1 3 372.557 2.808 20 0 FFADHO [NH3+]CCCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 ZINC000307570479 511766956 /nfs/dbraw/zinc/76/69/56/511766956.db2.gz WZJDUNPWZFKYMQ-UHFFFAOYSA-N 1 3 351.450 2.524 20 0 FFADHO Cc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311357331 511775584 /nfs/dbraw/zinc/77/55/84/511775584.db2.gz DQOYHPJFCFOXCP-RTWAWAEBSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311357331 511775590 /nfs/dbraw/zinc/77/55/90/511775590.db2.gz DQOYHPJFCFOXCP-RTWAWAEBSA-N 1 3 354.494 2.846 20 0 FFADHO CC(C)O[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000293025606 511811830 /nfs/dbraw/zinc/81/18/30/511811830.db2.gz CSJLAELICOAVER-FQEVSTJZSA-N 1 3 361.530 2.543 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000296940162 511958839 /nfs/dbraw/zinc/95/88/39/511958839.db2.gz GVQJZIJQLZUQNE-NXEWRWPSSA-N 1 3 358.530 2.994 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000296940162 511958841 /nfs/dbraw/zinc/95/88/41/511958841.db2.gz GVQJZIJQLZUQNE-NXEWRWPSSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000371583960 512479756 /nfs/dbraw/zinc/47/97/56/512479756.db2.gz PEQIPIXHLHLLJV-UYAOXDASSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000371583960 512479761 /nfs/dbraw/zinc/47/97/61/512479761.db2.gz PEQIPIXHLHLLJV-UYAOXDASSA-N 1 3 370.541 2.848 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@@H]2CCC(C)(C)O2)CC1 ZINC000411177051 512504820 /nfs/dbraw/zinc/50/48/20/512504820.db2.gz UYTZYJQCPRMOER-SFHVURJKSA-N 1 3 353.551 2.504 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)CC1 ZINC000371870359 512611323 /nfs/dbraw/zinc/61/13/23/512611323.db2.gz POJUXQMBZRVXRH-UHFFFAOYSA-N 1 3 367.541 2.926 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000369952609 512696229 /nfs/dbraw/zinc/69/62/29/512696229.db2.gz SLEGLPACRYWQTJ-SJLPKXTDSA-N 1 3 358.530 2.843 20 0 FFADHO CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370148706 512792075 /nfs/dbraw/zinc/79/20/75/512792075.db2.gz MADVGXYXNWLXDZ-RXVVDRJESA-N 1 3 373.541 2.710 20 0 FFADHO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370148706 512792078 /nfs/dbraw/zinc/79/20/78/512792078.db2.gz MADVGXYXNWLXDZ-RXVVDRJESA-N 1 3 373.541 2.710 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000379674426 512869764 /nfs/dbraw/zinc/86/97/64/512869764.db2.gz UKDLKLAZJMVVRU-PGVBMLAISA-N 1 3 373.541 2.546 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379674426 512869767 /nfs/dbraw/zinc/86/97/67/512869767.db2.gz UKDLKLAZJMVVRU-PGVBMLAISA-N 1 3 373.541 2.546 20 0 FFADHO COC(=O)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397504509 512945706 /nfs/dbraw/zinc/94/57/06/512945706.db2.gz HQZJSNVSXZWRFR-UHFFFAOYSA-N 1 3 368.477 2.590 20 0 FFADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000370675406 513046599 /nfs/dbraw/zinc/04/65/99/513046599.db2.gz BCBINLXYIFZAIX-XMSQKQJNSA-N 1 3 357.542 2.740 20 0 FFADHO O=C(CC1CC[NH2+]CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763131 513089654 /nfs/dbraw/zinc/08/96/54/513089654.db2.gz FUQYDPMWIYHRIB-JOCHJYFZSA-N 1 3 355.526 2.891 20 0 FFADHO O=C(CC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763132 513089982 /nfs/dbraw/zinc/08/99/82/513089982.db2.gz FUQYDPMWIYHRIB-QFIPXVFZSA-N 1 3 355.526 2.891 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000377034906 513096018 /nfs/dbraw/zinc/09/60/18/513096018.db2.gz QGCSTDVSIYAGEE-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000377034906 513096023 /nfs/dbraw/zinc/09/60/23/513096023.db2.gz QGCSTDVSIYAGEE-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccccc2OCCN(C)C)c1 ZINC000424433340 513143025 /nfs/dbraw/zinc/14/30/25/513143025.db2.gz IIVCVXIVLAJJKK-UHFFFAOYSA-N 1 3 356.470 2.716 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)c1 ZINC000424434966 513144473 /nfs/dbraw/zinc/14/44/73/513144473.db2.gz KMGMTJAXSSMQLE-UHFFFAOYSA-N 1 3 352.482 2.674 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000417670548 513150509 /nfs/dbraw/zinc/15/05/09/513150509.db2.gz OTMZEDRBYIPUPK-QWFCFKBJSA-N 1 3 358.530 2.715 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCC1([NH3+])CCC1 ZINC000417674796 513154051 /nfs/dbraw/zinc/15/40/51/513154051.db2.gz AURSBAPOFPQHFO-SFHVURJKSA-N 1 3 358.530 2.640 20 0 FFADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417691001 513163654 /nfs/dbraw/zinc/16/36/54/513163654.db2.gz WEIAKGLDSSEAHI-SNRMKQJTSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000417693608 513166448 /nfs/dbraw/zinc/16/64/48/513166448.db2.gz QQWHZLVPDACQIQ-PGRDOPGGSA-N 1 3 370.541 2.997 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417742608 513190668 /nfs/dbraw/zinc/19/06/68/513190668.db2.gz WDLBONSKFLJBOF-ZMSDIMECSA-N 1 3 352.548 2.948 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000417743910 513191725 /nfs/dbraw/zinc/19/17/25/513191725.db2.gz XTFDVCRIIQBYNL-JZXOWHBKSA-N 1 3 364.559 2.915 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000417818027 513220345 /nfs/dbraw/zinc/22/03/45/513220345.db2.gz FFVDSVFZMBQFEY-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417821629 513221357 /nfs/dbraw/zinc/22/13/57/513221357.db2.gz ISYSGPXDSWUYNR-QUCCMNQESA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000417837098 513228956 /nfs/dbraw/zinc/22/89/56/513228956.db2.gz XEEZCFZDBCRCHN-MJGOQNOKSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000417837099 513229470 /nfs/dbraw/zinc/22/94/70/513229470.db2.gz XEEZCFZDBCRCHN-PKOBYXMFSA-N 1 3 358.530 2.858 20 0 FFADHO CC(C)(C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000417837719 513231150 /nfs/dbraw/zinc/23/11/50/513231150.db2.gz XQUMTOOZGXKGEK-HSALFYBXSA-N 1 3 351.494 2.914 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)CC1 ZINC000421376840 513242316 /nfs/dbraw/zinc/24/23/16/513242316.db2.gz QUFKRUHAECQFFA-UHFFFAOYSA-N 1 3 357.502 2.662 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)CC1 ZINC000421376840 513242322 /nfs/dbraw/zinc/24/23/22/513242322.db2.gz QUFKRUHAECQFFA-UHFFFAOYSA-N 1 3 357.502 2.662 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)CC1 ZINC000421376840 513242327 /nfs/dbraw/zinc/24/23/27/513242327.db2.gz QUFKRUHAECQFFA-UHFFFAOYSA-N 1 3 357.502 2.662 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000446378580 513250216 /nfs/dbraw/zinc/25/02/16/513250216.db2.gz VPRROJPAXFCDOR-KANGHSEISA-N 1 3 373.541 2.765 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)CN1Cc1ccccc1 ZINC000417878933 513251676 /nfs/dbraw/zinc/25/16/76/513251676.db2.gz QYACYEXSWXRQRK-WIYYLYMNSA-N 1 3 366.509 2.820 20 0 FFADHO Cc1cc(NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)ccc1CN(C)C ZINC000415461981 513271608 /nfs/dbraw/zinc/27/16/08/513271608.db2.gz FRORYFUZGQSNBB-AWEZNQCLSA-N 1 3 354.454 2.654 20 0 FFADHO C[NH+]1CCC(CNCc2ccc(F)cc2I)CC1 ZINC000417909942 513272242 /nfs/dbraw/zinc/27/22/42/513272242.db2.gz JBJYIFHTNKBRMT-UHFFFAOYSA-N 1 3 362.230 2.862 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000429133127 513287045 /nfs/dbraw/zinc/28/70/45/513287045.db2.gz GATYRKLJNHXBKC-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000446622678 513298739 /nfs/dbraw/zinc/29/87/39/513298739.db2.gz GNBOWOJRWWAXIJ-IBGZPJMESA-N 1 3 358.530 2.777 20 0 FFADHO CN1CC[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000417948173 513299438 /nfs/dbraw/zinc/29/94/38/513299438.db2.gz STYDNQJEIWYPJO-SFTDATJTSA-N 1 3 366.509 2.645 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417989025 513319936 /nfs/dbraw/zinc/31/99/36/513319936.db2.gz SLUQLIALCQPVAT-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446744493 513329648 /nfs/dbraw/zinc/32/96/48/513329648.db2.gz NXTYMSBGMBJVQG-PXNSSMCTSA-N 1 3 357.502 2.740 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000418130956 513383660 /nfs/dbraw/zinc/38/36/60/513383660.db2.gz COGQOIYCXFIKDS-OAQYLSRUSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418145676 513389695 /nfs/dbraw/zinc/38/96/95/513389695.db2.gz ORINWIMPLJKSTL-LSTHTHJFSA-N 1 3 358.530 2.666 20 0 FFADHO CCCN(C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000418144588 513390074 /nfs/dbraw/zinc/39/00/74/513390074.db2.gz NLYBDEHLWVLTMY-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418153139 513394378 /nfs/dbraw/zinc/39/43/78/513394378.db2.gz IIYYKIWXLABNOS-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418158111 513396909 /nfs/dbraw/zinc/39/69/09/513396909.db2.gz PFNHEZKTABUZIN-SGLNWRHMSA-N 1 3 366.509 2.690 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccco1 ZINC000418174166 513404750 /nfs/dbraw/zinc/40/47/50/513404750.db2.gz ZSHVONZSBLUAHG-GDAAHCPNSA-N 1 3 370.497 2.764 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418177518 513406057 /nfs/dbraw/zinc/40/60/57/513406057.db2.gz HSWMNVNWXXZXIA-IAGOWNOFSA-N 1 3 352.910 2.856 20 0 FFADHO C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000418188367 513413294 /nfs/dbraw/zinc/41/32/94/513413294.db2.gz UEJISJQLUSYCJZ-WIYYLYMNSA-N 1 3 368.525 2.891 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N(CC)CC)cc1 ZINC000418214014 513423841 /nfs/dbraw/zinc/42/38/41/513423841.db2.gz LLJSLQLIRBKTHY-AZUAARDMSA-N 1 3 360.546 2.931 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418232482 513433036 /nfs/dbraw/zinc/43/30/36/513433036.db2.gz MQLCCAPKOINICE-LESCRADOSA-N 1 3 364.559 2.828 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000447288606 513437186 /nfs/dbraw/zinc/43/71/86/513437186.db2.gz SBPVOCOEKIOJBX-DLBZAZTESA-N 1 3 350.507 2.616 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000447288606 513437192 /nfs/dbraw/zinc/43/71/92/513437192.db2.gz SBPVOCOEKIOJBX-DLBZAZTESA-N 1 3 350.507 2.616 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NCC[C@H]2CCC[NH2+]C2)CCC1 ZINC000418251532 513442050 /nfs/dbraw/zinc/44/20/50/513442050.db2.gz WWYQURSLLLOYCU-GOSISDBHSA-N 1 3 358.530 2.730 20 0 FFADHO COC1([C@@H](C)[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCOCC1 ZINC000421859528 513453099 /nfs/dbraw/zinc/45/30/99/513453099.db2.gz FTRHFJJHJIXMIO-DLBZAZTESA-N 1 3 350.503 2.862 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000415896614 513467498 /nfs/dbraw/zinc/46/74/98/513467498.db2.gz OGPRSYMRMONFFH-OXQOHEQNSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000415896614 513467506 /nfs/dbraw/zinc/46/75/06/513467506.db2.gz OGPRSYMRMONFFH-OXQOHEQNSA-N 1 3 354.498 2.813 20 0 FFADHO C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418349133 513477938 /nfs/dbraw/zinc/47/79/38/513477938.db2.gz RTSANNSZPLZKQN-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000415924848 513481968 /nfs/dbraw/zinc/48/19/68/513481968.db2.gz WQPDMEPGTIRNOW-MRXNPFEDSA-N 1 3 360.502 2.513 20 0 FFADHO C[C@H]1[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415942622 513491238 /nfs/dbraw/zinc/49/12/38/513491238.db2.gz BJFYGYTWUVBCHR-OXJNMPFZSA-N 1 3 368.481 2.809 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000418393989 513494437 /nfs/dbraw/zinc/49/44/37/513494437.db2.gz FXPIQKKVBPILNH-WQUXRXDGSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418412519 513498351 /nfs/dbraw/zinc/49/83/51/513498351.db2.gz QBACETSFYBGGID-HOJAQTOUSA-N 1 3 358.530 2.667 20 0 FFADHO CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418419307 513502026 /nfs/dbraw/zinc/50/20/26/513502026.db2.gz YTEYQWUIXWEKCW-INIZCTEOSA-N 1 3 374.451 2.762 20 0 FFADHO N[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000418431508 513506842 /nfs/dbraw/zinc/50/68/42/513506842.db2.gz QYLBCROJDULSDK-HXUWFJFHSA-N 1 3 358.530 2.984 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418463095 513520721 /nfs/dbraw/zinc/52/07/21/513520721.db2.gz KWLHSXUTZMMAHV-HXUWFJFHSA-N 1 3 360.546 2.854 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ncccc1CN)C1CC1 ZINC000416001838 513530982 /nfs/dbraw/zinc/53/09/82/513530982.db2.gz ASPBDIWEMZHPLB-GOSISDBHSA-N 1 3 353.470 2.572 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ncccc1CN)C1CC1 ZINC000416001838 513530987 /nfs/dbraw/zinc/53/09/87/513530987.db2.gz ASPBDIWEMZHPLB-GOSISDBHSA-N 1 3 353.470 2.572 20 0 FFADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)sc1Br ZINC000441325004 513539777 /nfs/dbraw/zinc/53/97/77/513539777.db2.gz BASXDIRGWDJTMP-UHFFFAOYSA-N 1 3 360.365 2.935 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418552043 513554427 /nfs/dbraw/zinc/55/44/27/513554427.db2.gz JOMZFNNRWPSMEZ-UHFFFAOYSA-N 1 3 358.511 2.625 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000430108977 513554675 /nfs/dbraw/zinc/55/46/75/513554675.db2.gz WDOCNHBULULSBN-MJGOQNOKSA-N 1 3 361.530 2.560 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418590398 513568766 /nfs/dbraw/zinc/56/87/66/513568766.db2.gz BMSKGMNMONITFC-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000418657603 513597167 /nfs/dbraw/zinc/59/71/67/513597167.db2.gz HWYCRVHTHSARCU-JRGCBEDISA-N 1 3 370.541 2.538 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418664863 513601770 /nfs/dbraw/zinc/60/17/70/513601770.db2.gz IVNOOBDZIQDGLC-QAQDUYKDSA-N 1 3 364.509 2.664 20 0 FFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416177043 513624596 /nfs/dbraw/zinc/62/45/96/513624596.db2.gz KXCVGGFSIYHPBY-OAQYLSRUSA-N 1 3 369.509 2.975 20 0 FFADHO COc1cc(NC(=O)CCN(C)[C@@H]2CCC[NH2+]CC2)c(OC)cc1Cl ZINC000435623807 513641263 /nfs/dbraw/zinc/64/12/63/513641263.db2.gz VYDBVRWKCJNRNW-CYBMUJFWSA-N 1 3 369.893 2.760 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447984994 513646691 /nfs/dbraw/zinc/64/66/91/513646691.db2.gz CJFLSMVXNBFHPI-ZWKOTPCHSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000447984994 513646699 /nfs/dbraw/zinc/64/66/99/513646699.db2.gz CJFLSMVXNBFHPI-ZWKOTPCHSA-N 1 3 352.567 2.918 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418774134 513650947 /nfs/dbraw/zinc/65/09/47/513650947.db2.gz RFPBMGVFLBVYSR-UNMCSNQZSA-N 1 3 370.541 2.826 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418791177 513658324 /nfs/dbraw/zinc/65/83/24/513658324.db2.gz NNPJJUOOCOFZOV-PBHICJAKSA-N 1 3 352.910 2.541 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418792971 513660000 /nfs/dbraw/zinc/66/00/00/513660000.db2.gz ODTRSKNFLMOGAB-GFOJFJKKSA-N 1 3 370.541 2.681 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000448036403 513663188 /nfs/dbraw/zinc/66/31/88/513663188.db2.gz XXXABSSBXOPUBG-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000448036403 513663189 /nfs/dbraw/zinc/66/31/89/513663189.db2.gz XXXABSSBXOPUBG-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO [NH3+]C[C@@H]1CCCN(CCCOc2cccc(I)c2)C1 ZINC000430638951 513709399 /nfs/dbraw/zinc/70/93/99/513709399.db2.gz GSOFYYWDNLROJW-ZDUSSCGKSA-N 1 3 374.266 2.731 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000430541649 513681383 /nfs/dbraw/zinc/68/13/83/513681383.db2.gz BRMXLOIXBOENHW-CHWSQXEVSA-N 1 3 354.292 2.837 20 0 FFADHO C[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425726021 513718288 /nfs/dbraw/zinc/71/82/88/513718288.db2.gz OBEAVDLQBGGIKZ-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425726021 513718292 /nfs/dbraw/zinc/71/82/92/513718292.db2.gz OBEAVDLQBGGIKZ-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000442598349 513741828 /nfs/dbraw/zinc/74/18/28/513741828.db2.gz AJYJONAJVJBOAZ-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000448470636 513764419 /nfs/dbraw/zinc/76/44/19/513764419.db2.gz HATFEZGWKARSNI-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000448470636 513764422 /nfs/dbraw/zinc/76/44/22/513764422.db2.gz HATFEZGWKARSNI-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NCCN2CCCC[C@@H]2C)CC1 ZINC000430985191 513799005 /nfs/dbraw/zinc/79/90/05/513799005.db2.gz SRRTVZOXSUVIHY-SFHVURJKSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000436279152 513815839 /nfs/dbraw/zinc/81/58/39/513815839.db2.gz AMYYBKDFTSNVAZ-RJJVWVDVSA-N 1 3 355.526 2.888 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000443056130 513855031 /nfs/dbraw/zinc/85/50/31/513855031.db2.gz CBFHYAFTPSDVQE-YOEHRIQHSA-N 1 3 367.440 2.844 20 0 FFADHO C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000443063065 513858524 /nfs/dbraw/zinc/85/85/24/513858524.db2.gz VNGBEIVBWOUCKE-KBPBESRZSA-N 1 3 373.419 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000431327665 513874510 /nfs/dbraw/zinc/87/45/10/513874510.db2.gz IUPHZPJXRCGPIA-SLFFLAALSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000431327665 513874520 /nfs/dbraw/zinc/87/45/20/513874520.db2.gz IUPHZPJXRCGPIA-SLFFLAALSA-N 1 3 358.530 2.600 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625187 513879248 /nfs/dbraw/zinc/87/92/48/513879248.db2.gz AVLHCWVDVKLTJM-RDBSUJKOSA-N 1 3 353.894 2.982 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000422696213 513905617 /nfs/dbraw/zinc/90/56/17/513905617.db2.gz QZRHNXMFYTWLJM-LJQANCHMSA-N 1 3 367.541 2.743 20 0 FFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422720410 513911671 /nfs/dbraw/zinc/91/16/71/513911671.db2.gz ZKLVQGHQJCGLOM-SIKLNZKXSA-N 1 3 358.574 2.834 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COc1ccc(F)c(F)c1 ZINC000422743448 513920677 /nfs/dbraw/zinc/92/06/77/513920677.db2.gz RIOOBUBJWBRVGV-SVYNMNNPSA-N 1 3 354.441 2.605 20 0 FFADHO CC(=O)Nc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422810199 513938788 /nfs/dbraw/zinc/93/87/88/513938788.db2.gz TVGICXNMAILIHW-FPOVZHCZSA-N 1 3 351.450 2.991 20 0 FFADHO Brc1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422823546 513942787 /nfs/dbraw/zinc/94/27/87/513942787.db2.gz DRUYEZGMPXNNIS-DJIMGWMZSA-N 1 3 353.304 2.738 20 0 FFADHO c1cc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc(C[NH+]2CCCCCC2)c1 ZINC000422831001 513946274 /nfs/dbraw/zinc/94/62/74/513946274.db2.gz RXFMPEQJPFNKIG-FCHUYYIVSA-N 1 3 357.542 2.919 20 0 FFADHO [NH3+][C@H]1C[C@@H](NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000422836686 513946469 /nfs/dbraw/zinc/94/64/69/513946469.db2.gz RSBWKAPDGUIRCU-XZOQPEGZSA-N 1 3 364.537 2.929 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H](Cc3ccccc3)[C@H](C)N)CC2)nc(C)n1 ZINC000422841953 513949401 /nfs/dbraw/zinc/94/94/01/513949401.db2.gz XKTNONWFDZJFFG-JXFKEZNVSA-N 1 3 353.514 2.610 20 0 FFADHO Cc1cc(N2CCC(N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])CC2)nc(C)n1 ZINC000422841953 513949408 /nfs/dbraw/zinc/94/94/08/513949408.db2.gz XKTNONWFDZJFFG-JXFKEZNVSA-N 1 3 353.514 2.610 20 0 FFADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422862256 513954376 /nfs/dbraw/zinc/95/43/76/513954376.db2.gz POCXQYJHQBHLPB-FGTMMUONSA-N 1 3 362.514 2.728 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422873794 513958325 /nfs/dbraw/zinc/95/83/25/513958325.db2.gz BBELROOLHVUKHI-ZPMCFJSWSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422873794 513958334 /nfs/dbraw/zinc/95/83/34/513958334.db2.gz BBELROOLHVUKHI-ZPMCFJSWSA-N 1 3 357.542 2.775 20 0 FFADHO CC[C@@H](NC1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422876764 513959719 /nfs/dbraw/zinc/95/97/19/513959719.db2.gz GNFHKYMCTMDJEL-HIEASXQVSA-N 1 3 353.576 2.631 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000414071073 513963966 /nfs/dbraw/zinc/96/39/66/513963966.db2.gz LOVCDDTUFMOQDM-LSDHHAIUSA-N 1 3 370.335 2.711 20 0 FFADHO Clc1ccccc1N1CCN(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422897564 513970707 /nfs/dbraw/zinc/97/07/07/513970707.db2.gz CBULHJXLHDNLNN-JWTNVVGKSA-N 1 3 362.949 2.725 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422905509 513972386 /nfs/dbraw/zinc/97/23/86/513972386.db2.gz SHTWHQNTGPKKRK-MJGOQNOKSA-N 1 3 364.965 2.830 20 0 FFADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416808884 513976108 /nfs/dbraw/zinc/97/61/08/513976108.db2.gz AMTHHSPKRCEFQE-UYAOXDASSA-N 1 3 374.529 2.616 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2COc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000422930384 513980099 /nfs/dbraw/zinc/98/00/99/513980099.db2.gz TZPWWIBINXFFNX-IUODEOHRSA-N 1 3 352.862 2.685 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)N(C)C)cc1 ZINC000416837244 513991673 /nfs/dbraw/zinc/99/16/73/513991673.db2.gz HMIBNQXCGXZDER-QWFCFKBJSA-N 1 3 360.546 2.916 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000416836095 513992363 /nfs/dbraw/zinc/99/23/63/513992363.db2.gz GCAFWMMKROENLN-ZCNNSNEGSA-N 1 3 358.530 2.757 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416836218 513992383 /nfs/dbraw/zinc/99/23/83/513992383.db2.gz ZKLCORNNAWXFAX-POAQFYNOSA-N 1 3 374.529 2.519 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000416844125 513998086 /nfs/dbraw/zinc/99/80/86/513998086.db2.gz PNIAQVKCPCCJJZ-PMACEKPBSA-N 1 3 354.498 2.851 20 0 FFADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000414179877 513999748 /nfs/dbraw/zinc/99/97/48/513999748.db2.gz ARYVQIRCVVZQHF-OAHLLOKOSA-N 1 3 369.912 2.926 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)N(C)C)cc1OC ZINC000422990203 514000316 /nfs/dbraw/zinc/00/03/16/514000316.db2.gz NGLXDUWDUYLMGO-AHRSYUTCSA-N 1 3 371.525 2.855 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000416846539 514000349 /nfs/dbraw/zinc/00/03/49/514000349.db2.gz UIXKTTIESBJJSF-MTQWCTHYSA-N 1 3 358.530 2.757 20 0 FFADHO COc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1OC ZINC000422990203 514000324 /nfs/dbraw/zinc/00/03/24/514000324.db2.gz NGLXDUWDUYLMGO-AHRSYUTCSA-N 1 3 371.525 2.855 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416850287 514001873 /nfs/dbraw/zinc/00/18/73/514001873.db2.gz ZMGWXVHVIPPOLV-FPOVZHCZSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(Cl)c1 ZINC000414182839 514002240 /nfs/dbraw/zinc/00/22/40/514002240.db2.gz DNEYVRKUSRKGLZ-MRXNPFEDSA-N 1 3 351.922 2.787 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCSc3ccccc32)(N2CCOCC2)CC1 ZINC000414195111 514006200 /nfs/dbraw/zinc/00/62/00/514006200.db2.gz NQEAXEJYGMYFHL-SFHVURJKSA-N 1 3 361.555 2.610 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000416857084 514007547 /nfs/dbraw/zinc/00/75/47/514007547.db2.gz XPNJBYQTMPCMHX-ZIAGYGMSSA-N 1 3 374.501 2.803 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)(N2CCOCC2)CC1 ZINC000414199174 514009462 /nfs/dbraw/zinc/00/94/62/514009462.db2.gz QVDISQSDDMVAPY-FGZHOGPDSA-N 1 3 371.569 2.784 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000443634418 514009484 /nfs/dbraw/zinc/00/94/84/514009484.db2.gz YUIUXPIDYULMKX-DUXKGJEZSA-N 1 3 372.557 2.805 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000443634418 514009494 /nfs/dbraw/zinc/00/94/94/514009494.db2.gz YUIUXPIDYULMKX-DUXKGJEZSA-N 1 3 372.557 2.805 20 0 FFADHO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423029207 514011605 /nfs/dbraw/zinc/01/16/05/514011605.db2.gz HRVDWYNTOHCBJU-VBNZEHGJSA-N 1 3 371.319 2.732 20 0 FFADHO COc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423029207 514011611 /nfs/dbraw/zinc/01/16/11/514011611.db2.gz HRVDWYNTOHCBJU-VBNZEHGJSA-N 1 3 371.319 2.732 20 0 FFADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048473 514018296 /nfs/dbraw/zinc/01/82/96/514018296.db2.gz IFHGYJUZDZASFG-GUYCJALGSA-N 1 3 369.431 2.898 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431852790 514020988 /nfs/dbraw/zinc/02/09/88/514020988.db2.gz YXYFIEJSVULRMZ-FQEVSTJZSA-N 1 3 361.530 2.685 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cc2cc(Br)ccc2[nH]1 ZINC000423054478 514021148 /nfs/dbraw/zinc/02/11/48/514021148.db2.gz UUIBJERIFSIJJO-FSBGKCOPSA-N 1 3 352.276 2.772 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2oc3ccccc3c2OC)CC[NH2+]CC1 ZINC000423065187 514025108 /nfs/dbraw/zinc/02/51/08/514025108.db2.gz AYTWEIIONZPSKT-AWEZNQCLSA-N 1 3 360.454 2.852 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423075395 514028973 /nfs/dbraw/zinc/02/89/73/514028973.db2.gz OLAHFVHNKRRRFD-UKPHBRMFSA-N 1 3 355.320 2.707 20 0 FFADHO FC(F)C(F)(F)COCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423079918 514032269 /nfs/dbraw/zinc/03/22/69/514032269.db2.gz YVFQWSNKDUBVFN-CJNGLKHVSA-N 1 3 362.367 2.749 20 0 FFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423110184 514045162 /nfs/dbraw/zinc/04/51/62/514045162.db2.gz OSOGQFSUIUNAEO-LVQVYYBASA-N 1 3 361.452 2.830 20 0 FFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423110180 514045503 /nfs/dbraw/zinc/04/55/03/514045503.db2.gz OSOGQFSUIUNAEO-FXUDXRNXSA-N 1 3 361.452 2.830 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1(C)C ZINC000414322862 514047351 /nfs/dbraw/zinc/04/73/51/514047351.db2.gz HQRBRBDUWUMVOS-VQTJNVASSA-N 1 3 373.541 2.677 20 0 FFADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000423125533 514052611 /nfs/dbraw/zinc/05/26/11/514052611.db2.gz AAASVBGDDMRYEH-BAGYTPMASA-N 1 3 357.542 2.645 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150771 514061855 /nfs/dbraw/zinc/06/18/55/514061855.db2.gz CGYVWUAWKYZYFG-HACGYAERSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150771 514061858 /nfs/dbraw/zinc/06/18/58/514061858.db2.gz CGYVWUAWKYZYFG-HACGYAERSA-N 1 3 373.310 2.717 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449080191 514063421 /nfs/dbraw/zinc/06/34/21/514063421.db2.gz UAWJIIDIFOQUGA-LEWJYISDSA-N 1 3 372.601 2.698 20 0 FFADHO C[C@@H](CNC1CC[NH+](C2CCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449095727 514070446 /nfs/dbraw/zinc/07/04/46/514070446.db2.gz APKODUSSDRJWJQ-HNNXBMFYSA-N 1 3 350.528 2.800 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000420298137 514077900 /nfs/dbraw/zinc/07/79/00/514077900.db2.gz GUZSEQDTEJUYGF-WMZOPIPTSA-N 1 3 361.530 2.612 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000420298137 514077906 /nfs/dbraw/zinc/07/79/06/514077906.db2.gz GUZSEQDTEJUYGF-WMZOPIPTSA-N 1 3 361.530 2.612 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000416973179 514078886 /nfs/dbraw/zinc/07/88/86/514078886.db2.gz JJSQNCNVAOKARS-IEBWSBKVSA-N 1 3 358.530 2.586 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000416973184 514078914 /nfs/dbraw/zinc/07/89/14/514078914.db2.gz JJSQNCNVAOKARS-PKOBYXMFSA-N 1 3 358.530 2.586 20 0 FFADHO COc1ccc(C2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)cc1 ZINC000420300306 514079651 /nfs/dbraw/zinc/07/96/51/514079651.db2.gz JYRKUIZHKWLTEY-VXKWHMMOSA-N 1 3 354.494 2.806 20 0 FFADHO COc1ccc(C2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000420300306 514079657 /nfs/dbraw/zinc/07/96/57/514079657.db2.gz JYRKUIZHKWLTEY-VXKWHMMOSA-N 1 3 354.494 2.806 20 0 FFADHO O=C(NC[C@@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1)[C@H]1CCC[NH2+]1 ZINC000420309099 514084046 /nfs/dbraw/zinc/08/40/46/514084046.db2.gz DKPPPUJDWXZANF-BEVDRBHNSA-N 1 3 359.489 2.783 20 0 FFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(N3CCNCC3)cn2)C1 ZINC000423242590 514089861 /nfs/dbraw/zinc/08/98/61/514089861.db2.gz YVSOXTRWGPDXOE-PKOBYXMFSA-N 1 3 351.498 2.739 20 0 FFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(N3CCNCC3)cn2)C1 ZINC000423242590 514089866 /nfs/dbraw/zinc/08/98/66/514089866.db2.gz YVSOXTRWGPDXOE-PKOBYXMFSA-N 1 3 351.498 2.739 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321605 514092684 /nfs/dbraw/zinc/09/26/84/514092684.db2.gz DAEIAHLVLZNARB-BZSNNMDCSA-N 1 3 359.514 2.536 20 0 FFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345385 514103788 /nfs/dbraw/zinc/10/37/88/514103788.db2.gz WASBTTRKDYREHU-XYJFISCASA-N 1 3 361.555 2.905 20 0 FFADHO Fc1ccc(COc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000420346762 514105863 /nfs/dbraw/zinc/10/58/63/514105863.db2.gz DNKBIPIXBMABOA-OAQYLSRUSA-N 1 3 369.484 2.884 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000423335895 514111807 /nfs/dbraw/zinc/11/18/07/514111807.db2.gz SIEYHLQEFXEGOH-HNNXBMFYSA-N 1 3 353.466 2.915 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000417005576 514112389 /nfs/dbraw/zinc/11/23/89/514112389.db2.gz DPFBHOZBLMDSEP-AKHDSKFASA-N 1 3 350.551 2.671 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420382733 514118411 /nfs/dbraw/zinc/11/84/11/514118411.db2.gz DBPWADVTAUARHR-UXHICEINSA-N 1 3 368.529 2.974 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000417012853 514118381 /nfs/dbraw/zinc/11/83/81/514118381.db2.gz XSKRWQICKNLBRC-USXIJHARSA-N 1 3 352.548 2.900 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)C(=O)NCc2ccco2)CC1 ZINC000449221782 514120392 /nfs/dbraw/zinc/12/03/92/514120392.db2.gz HDTACKRFLBJDAI-MSOLQXFVSA-N 1 3 369.509 2.970 20 0 FFADHO CC[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000417015524 514121339 /nfs/dbraw/zinc/12/13/39/514121339.db2.gz MQIMNBYIVVPBII-UXHICEINSA-N 1 3 358.530 2.655 20 0 FFADHO C[C@@H]1CCN(CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000420395932 514129465 /nfs/dbraw/zinc/12/94/65/514129465.db2.gz DTVHEAAVGIBECP-CHWSQXEVSA-N 1 3 354.292 2.694 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000417033839 514132124 /nfs/dbraw/zinc/13/21/24/514132124.db2.gz FYHYDXOWTPAORW-PXNSSMCTSA-N 1 3 358.530 2.685 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000417033839 514132126 /nfs/dbraw/zinc/13/21/26/514132126.db2.gz FYHYDXOWTPAORW-PXNSSMCTSA-N 1 3 358.530 2.685 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000417043422 514138336 /nfs/dbraw/zinc/13/83/36/514138336.db2.gz MKFAMOBVKSIWSA-YZGWKJHDSA-N 1 3 358.530 2.635 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000417043422 514138343 /nfs/dbraw/zinc/13/83/43/514138343.db2.gz MKFAMOBVKSIWSA-YZGWKJHDSA-N 1 3 358.530 2.635 20 0 FFADHO CCO[C@@H]1CCC[C@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000452019391 514139577 /nfs/dbraw/zinc/13/95/77/514139577.db2.gz MLEUIPDRMNVSGR-NHCUHLMSSA-N 1 3 373.541 2.623 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2(N3CCOCC3)CC2)CC1 ZINC000449283295 514144812 /nfs/dbraw/zinc/14/48/12/514144812.db2.gz LCFKLELHZSGSAS-LJQANCHMSA-N 1 3 357.542 2.536 20 0 FFADHO CC[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C ZINC000423450828 514145574 /nfs/dbraw/zinc/14/55/74/514145574.db2.gz XPLDXQWQYVVTPB-GBESFXJTSA-N 1 3 359.514 2.582 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414528039 514163967 /nfs/dbraw/zinc/16/39/67/514163967.db2.gz NUUISCRMSVKRLQ-FQEVSTJZSA-N 1 3 371.500 2.833 20 0 FFADHO CCCN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CC[NH2+]CC1 ZINC000417107252 514171621 /nfs/dbraw/zinc/17/16/21/514171621.db2.gz IGAIEHNFCNZQAH-UHFFFAOYSA-N 1 3 368.591 2.522 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449348960 514177047 /nfs/dbraw/zinc/17/70/47/514177047.db2.gz DKIJADIRGCAFOM-JTHBVZDNSA-N 1 3 363.505 2.699 20 0 FFADHO COC[C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000452089598 514183866 /nfs/dbraw/zinc/18/38/66/514183866.db2.gz RMMRCFYYLIVKJA-OAQYLSRUSA-N 1 3 373.541 2.647 20 0 FFADHO COCCOC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000449392711 514192357 /nfs/dbraw/zinc/19/23/57/514192357.db2.gz KKEHCOLEKCRTHI-ICSRJNTNSA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCOCC1 ZINC000449392711 514192361 /nfs/dbraw/zinc/19/23/61/514192361.db2.gz KKEHCOLEKCRTHI-ICSRJNTNSA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(CNC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000449396064 514194321 /nfs/dbraw/zinc/19/43/21/514194321.db2.gz XCXFTWOWSCPDQQ-UHFFFAOYSA-N 1 3 354.535 2.585 20 0 FFADHO COCCOC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000449396064 514194330 /nfs/dbraw/zinc/19/43/30/514194330.db2.gz XCXFTWOWSCPDQQ-UHFFFAOYSA-N 1 3 354.535 2.585 20 0 FFADHO CC1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC000423653698 514194446 /nfs/dbraw/zinc/19/44/46/514194446.db2.gz ZNDSMDZATBTQSN-QFIPXVFZSA-N 1 3 355.526 2.891 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423788531 514228923 /nfs/dbraw/zinc/22/89/23/514228923.db2.gz XWVPVLQCLCVJNE-VGOFRKELSA-N 1 3 363.505 2.625 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c2ccccc2)CC1 ZINC000417212955 514234874 /nfs/dbraw/zinc/23/48/74/514234874.db2.gz IJNNHSJSOJCVHJ-IRXDYDNUSA-N 1 3 368.472 2.741 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000417219870 514241180 /nfs/dbraw/zinc/24/11/80/514241180.db2.gz WZYHBAPXIOHZEF-MISYRCLQSA-N 1 3 358.530 2.886 20 0 FFADHO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414684557 514242307 /nfs/dbraw/zinc/24/23/07/514242307.db2.gz VXWPZGVZPOTJIS-XLIONFOSSA-N 1 3 359.514 2.810 20 0 FFADHO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414684557 514242312 /nfs/dbraw/zinc/24/23/12/514242312.db2.gz VXWPZGVZPOTJIS-XLIONFOSSA-N 1 3 359.514 2.810 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000417222861 514242686 /nfs/dbraw/zinc/24/26/86/514242686.db2.gz QXGHMSBJTQXILD-JRGCBEDISA-N 1 3 370.541 2.853 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417244579 514257231 /nfs/dbraw/zinc/25/72/31/514257231.db2.gz XKJIUDKHVQCVMZ-UZLBHIALSA-N 1 3 354.498 2.871 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000417244579 514257236 /nfs/dbraw/zinc/25/72/36/514257236.db2.gz XKJIUDKHVQCVMZ-UZLBHIALSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000432673048 514257945 /nfs/dbraw/zinc/25/79/45/514257945.db2.gz ULVAECZUKBWJCD-KRWDZBQOSA-N 1 3 374.529 2.965 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000432673048 514257950 /nfs/dbraw/zinc/25/79/50/514257950.db2.gz ULVAECZUKBWJCD-KRWDZBQOSA-N 1 3 374.529 2.965 20 0 FFADHO COc1ccc(Cl)cc1CN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414729992 514260188 /nfs/dbraw/zinc/26/01/88/514260188.db2.gz GGTFNNOLDYPGLY-CVEARBPZSA-N 1 3 351.922 2.854 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000423848083 514261872 /nfs/dbraw/zinc/26/18/72/514261872.db2.gz NEVMSQVMWFLVNU-QOJCHSLYSA-N 1 3 356.514 2.644 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC(CC)(CC)C[NH3+])c(C)c2)CC1 ZINC000414732162 514262199 /nfs/dbraw/zinc/26/21/99/514262199.db2.gz GHIPPZSONPODDN-UHFFFAOYSA-N 1 3 361.534 2.776 20 0 FFADHO C[C@H]1CCN[C@@H](C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423849706 514262316 /nfs/dbraw/zinc/26/23/16/514262316.db2.gz OVPLHEXOPCIRLK-AZUAARDMSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]1CCN[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423849706 514262324 /nfs/dbraw/zinc/26/23/24/514262324.db2.gz OVPLHEXOPCIRLK-AZUAARDMSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H](CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423850858 514263565 /nfs/dbraw/zinc/26/35/65/514263565.db2.gz QARFXCQSDOTZHP-AOIWGVFYSA-N 1 3 358.530 2.749 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC3CCC([NH3+])CC3)c(C)c2)CC1 ZINC000414750251 514272696 /nfs/dbraw/zinc/27/26/96/514272696.db2.gz LQRMHBLRZYAMFI-UHFFFAOYSA-N 1 3 359.518 2.528 20 0 FFADHO C[C@@H]1C[C@H](CN(CCO)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414754542 514275143 /nfs/dbraw/zinc/27/51/43/514275143.db2.gz XZMBEQVKYDIGLD-CHWSQXEVSA-N 1 3 359.283 2.771 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCCN1C)Cc1ccccc1 ZINC000420777249 514291293 /nfs/dbraw/zinc/29/12/93/514291293.db2.gz GZMNNXARHYXJEI-UXHICEINSA-N 1 3 360.546 2.675 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000449673797 514296798 /nfs/dbraw/zinc/29/67/98/514296798.db2.gz QJFQGXGXDRKUHU-WMZOPIPTSA-N 1 3 371.447 2.574 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000449673797 514296804 /nfs/dbraw/zinc/29/68/04/514296804.db2.gz QJFQGXGXDRKUHU-WMZOPIPTSA-N 1 3 371.447 2.574 20 0 FFADHO [NH3+]C[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2)CC12CCOCC2 ZINC000414796904 514298270 /nfs/dbraw/zinc/29/82/70/514298270.db2.gz XYRBAXQVYRZFBB-HNNXBMFYSA-N 1 3 358.404 2.815 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)N ZINC000414799842 514299818 /nfs/dbraw/zinc/29/98/18/514299818.db2.gz HKDJNHAHAIFVIX-JTQLQIEISA-N 1 3 355.504 2.586 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417355262 514307418 /nfs/dbraw/zinc/30/74/18/514307418.db2.gz APYVKLWCYGQFJP-DLBZAZTESA-N 1 3 364.559 2.792 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417360129 514310620 /nfs/dbraw/zinc/31/06/20/514310620.db2.gz XBJVCFQAZAKZOV-ZWKOTPCHSA-N 1 3 358.530 2.954 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000417361384 514311859 /nfs/dbraw/zinc/31/18/59/514311859.db2.gz YVGREQMNZWGZOT-UYAOXDASSA-N 1 3 358.530 2.773 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417363397 514313253 /nfs/dbraw/zinc/31/32/53/514313253.db2.gz KJIAEYICHMIJMN-HZPDHXFCSA-N 1 3 352.548 2.777 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417364086 514313394 /nfs/dbraw/zinc/31/33/94/514313394.db2.gz LFBIJKPSLPREGA-QGZVFWFLSA-N 1 3 362.543 2.569 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000414836412 514317473 /nfs/dbraw/zinc/31/74/73/514317473.db2.gz VBZXSKZJGXFBLU-CHWSQXEVSA-N 1 3 359.392 2.892 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414836412 514317482 /nfs/dbraw/zinc/31/74/82/514317482.db2.gz VBZXSKZJGXFBLU-CHWSQXEVSA-N 1 3 359.392 2.892 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420818321 514317649 /nfs/dbraw/zinc/31/76/49/514317649.db2.gz KYWNZXCMJIRNDV-VHBXLISGSA-N 1 3 358.530 2.994 20 0 FFADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000449718808 514321122 /nfs/dbraw/zinc/32/11/22/514321122.db2.gz PPIHMOSSKSKSDA-RYRKJORJSA-N 1 3 369.431 2.685 20 0 FFADHO CCC[C@@]1(CO)CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000444766630 514322038 /nfs/dbraw/zinc/32/20/38/514322038.db2.gz MSGHTUMIHSADGA-QFIPXVFZSA-N 1 3 373.541 2.526 20 0 FFADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000414877292 514335860 /nfs/dbraw/zinc/33/58/60/514335860.db2.gz MABQRBWNRVFJDO-SFHVURJKSA-N 1 3 374.529 2.505 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438326723 514356154 /nfs/dbraw/zinc/35/61/54/514356154.db2.gz KFXYLCKHTFXFNR-IBGZPJMESA-N 1 3 350.551 2.909 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438326723 514356155 /nfs/dbraw/zinc/35/61/55/514356155.db2.gz KFXYLCKHTFXFNR-IBGZPJMESA-N 1 3 350.551 2.909 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN[C@H](C)[C@H]3C)c2)CC1 ZINC000417473118 514369947 /nfs/dbraw/zinc/36/99/47/514369947.db2.gz YKYSGRIGFWQACN-QZTJIDSGSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000444967211 514379770 /nfs/dbraw/zinc/37/97/70/514379770.db2.gz MTSHAOAPUDZGQK-PXNSSMCTSA-N 1 3 370.541 2.823 20 0 FFADHO N[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000417507605 514387462 /nfs/dbraw/zinc/38/74/62/514387462.db2.gz RYRKYYWEYKDEGP-FPOVZHCZSA-N 1 3 366.509 2.550 20 0 FFADHO N[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000417507605 514387468 /nfs/dbraw/zinc/38/74/68/514387468.db2.gz RYRKYYWEYKDEGP-FPOVZHCZSA-N 1 3 366.509 2.550 20 0 FFADHO C[C@@H](CCC[NH3+])NCc1c(F)ccc(I)c1F ZINC000415029003 514407103 /nfs/dbraw/zinc/40/71/03/514407103.db2.gz ZROKCTVTWLXZLR-QMMMGPOBSA-N 1 3 354.182 2.786 20 0 FFADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415063557 514422885 /nfs/dbraw/zinc/42/28/85/514422885.db2.gz AFULIGQIJOWEKZ-FUHWJXTLSA-N 1 3 362.543 2.527 20 0 FFADHO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415068354 514425993 /nfs/dbraw/zinc/42/59/93/514425993.db2.gz MSJNXYNTKXVAEW-UHFFFAOYSA-N 1 3 364.559 2.917 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417596277 514430356 /nfs/dbraw/zinc/43/03/56/514430356.db2.gz ZMTJYARPISMTLN-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)(C)c1ccc(S(=O)(=O)CCNC2CCC(C[NH3+])CC2)cc1 ZINC000415093264 514440127 /nfs/dbraw/zinc/44/01/27/514440127.db2.gz UYNIFCYTEYROOL-UHFFFAOYSA-N 1 3 352.544 2.865 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000421018477 514440345 /nfs/dbraw/zinc/44/03/45/514440345.db2.gz MQYWTEFUFYFQLC-RTBURBONSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000421018477 514440351 /nfs/dbraw/zinc/44/03/51/514440351.db2.gz MQYWTEFUFYFQLC-RTBURBONSA-N 1 3 367.578 2.702 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000415121003 514452386 /nfs/dbraw/zinc/45/23/86/514452386.db2.gz YQGAGSXZBGQIRN-AWEZNQCLSA-N 1 3 369.431 2.524 20 0 FFADHO O=C1N[C@@H]2CN(Cc3csc4ccccc34)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415144954 514467996 /nfs/dbraw/zinc/46/79/96/514467996.db2.gz WDNMBZUWWGJVGM-MSOLQXFVSA-N 1 3 370.522 2.621 20 0 FFADHO C[N@H+](CCCNC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000433555281 514511782 /nfs/dbraw/zinc/51/17/82/514511782.db2.gz OOXFQULHXZKCIP-LJQANCHMSA-N 1 3 350.551 2.957 20 0 FFADHO C[N@@H+](CCCNC(=O)NC[C@H]1CCCCN1C1CC1)C1CCCCC1 ZINC000433555281 514511785 /nfs/dbraw/zinc/51/17/85/514511785.db2.gz OOXFQULHXZKCIP-LJQANCHMSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433564057 514513459 /nfs/dbraw/zinc/51/34/59/514513459.db2.gz HRWNGPLKSUBDAR-ZIFCJYIRSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433564057 514513470 /nfs/dbraw/zinc/51/34/70/514513470.db2.gz HRWNGPLKSUBDAR-ZIFCJYIRSA-N 1 3 350.551 2.671 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000465939680 514525338 /nfs/dbraw/zinc/52/53/38/514525338.db2.gz XLWSVSOMEKNKDV-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000465981364 514534103 /nfs/dbraw/zinc/53/41/03/514534103.db2.gz OLAQYZJUUFLMFI-YDZRNGNQSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000465981364 514534109 /nfs/dbraw/zinc/53/41/09/514534109.db2.gz OLAQYZJUUFLMFI-YDZRNGNQSA-N 1 3 352.567 2.869 20 0 FFADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCc2ccccc2C1 ZINC000475037885 514534369 /nfs/dbraw/zinc/53/43/69/514534369.db2.gz IHWBWOHZCCXVFU-FCHUYYIVSA-N 1 3 365.521 2.895 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453072563 514535546 /nfs/dbraw/zinc/53/55/46/514535546.db2.gz DLEOTJUHRUPPNE-DNVJHFABSA-N 1 3 370.585 2.657 20 0 FFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453074312 514537160 /nfs/dbraw/zinc/53/71/60/514537160.db2.gz HDMCTQQGHDGVLR-QGZVFWFLSA-N 1 3 355.530 2.764 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000455470579 514542139 /nfs/dbraw/zinc/54/21/39/514542139.db2.gz HPUFWAUSPPEJEF-LBFURVHYSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000455470579 514542148 /nfs/dbraw/zinc/54/21/48/514542148.db2.gz HPUFWAUSPPEJEF-LBFURVHYSA-N 1 3 370.541 2.918 20 0 FFADHO COCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453123190 514551187 /nfs/dbraw/zinc/55/11/87/514551187.db2.gz QTZJVYYPZYPZHK-BDTNDASRSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CN1Cc1ccccc1 ZINC000466152459 514566545 /nfs/dbraw/zinc/56/65/45/514566545.db2.gz DWEZKNYIAPNRNQ-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000475135992 514568725 /nfs/dbraw/zinc/56/87/25/514568725.db2.gz HJJVUKJPEMGHRX-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CCCC[C@]1(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458127342 514578835 /nfs/dbraw/zinc/57/88/35/514578835.db2.gz MHYJYBKADGRXIP-JXFKEZNVSA-N 1 3 350.551 2.813 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[NH+]1CCCC1 ZINC000466228207 514583613 /nfs/dbraw/zinc/58/36/13/514583613.db2.gz UUYPQOUVKPFTNL-IPELMVKDSA-N 1 3 350.551 2.669 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420653 514610461 /nfs/dbraw/zinc/61/04/61/514610461.db2.gz ARSPAMIISKENKI-NJDAHSKKSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420653 514610471 /nfs/dbraw/zinc/61/04/71/514610471.db2.gz ARSPAMIISKENKI-NJDAHSKKSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000453412116 514623129 /nfs/dbraw/zinc/62/31/29/514623129.db2.gz XSMPMLYCWNSAED-ILZDJORESA-N 1 3 372.513 2.931 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000475371671 514638335 /nfs/dbraw/zinc/63/83/35/514638335.db2.gz NAFYBWSILFNYNQ-UHFFFAOYSA-N 1 3 360.502 2.765 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000502646838 514727500 /nfs/dbraw/zinc/72/75/00/514727500.db2.gz APADIIYAYASXFE-WSTZPKSXSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000479798347 514729312 /nfs/dbraw/zinc/72/93/12/514729312.db2.gz XGYJHGHJZGJLJB-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO COc1cc(C)c(C[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1OC ZINC000502707913 514747874 /nfs/dbraw/zinc/74/78/74/514747874.db2.gz NQAJIBKUOCDVJO-SFHVURJKSA-N 1 3 363.546 2.560 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000498112193 514765472 /nfs/dbraw/zinc/76/54/72/514765472.db2.gz RMIZKWBNTKIDIH-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000489339856 514805898 /nfs/dbraw/zinc/80/58/98/514805898.db2.gz VMSIWMJNNLZYAS-QGZVFWFLSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCN1CCCCC1 ZINC000471371925 514854905 /nfs/dbraw/zinc/85/49/05/514854905.db2.gz AXEPFYVBWJFKMN-OALUTQOASA-N 1 3 372.557 2.928 20 0 FFADHO CN1CCC2(CCCN2C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467092053 514896892 /nfs/dbraw/zinc/89/68/92/514896892.db2.gz BNTOSDBNMCJDFJ-UHFFFAOYSA-N 1 3 358.530 2.561 20 0 FFADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC[C@H]1CCCO1 ZINC000467142006 514916793 /nfs/dbraw/zinc/91/67/93/514916793.db2.gz MGJIMLFLFACASV-GHTZIAJQSA-N 1 3 373.541 2.657 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489619159 514919141 /nfs/dbraw/zinc/91/91/41/514919141.db2.gz AFKZBWAKSRSBTP-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489619159 514919151 /nfs/dbraw/zinc/91/91/51/514919151.db2.gz AFKZBWAKSRSBTP-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO COc1cc2c(cc1F)CC[C@H]2N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000467353984 514985486 /nfs/dbraw/zinc/98/54/86/514985486.db2.gz FDAMGKPZHBYJCD-MSOLQXFVSA-N 1 3 365.493 2.504 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458653183 514987880 /nfs/dbraw/zinc/98/78/80/514987880.db2.gz QAYJPONXXMDGLM-HOJAQTOUSA-N 1 3 358.530 2.631 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000458653183 514987898 /nfs/dbraw/zinc/98/78/98/514987898.db2.gz QAYJPONXXMDGLM-HOJAQTOUSA-N 1 3 358.530 2.631 20 0 FFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCCc2ccncc2)CC1 ZINC000462330949 514997874 /nfs/dbraw/zinc/99/78/74/514997874.db2.gz GIBCMXLXMGRWGO-UHFFFAOYSA-N 1 3 368.525 2.777 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467410314 514998069 /nfs/dbraw/zinc/99/80/69/514998069.db2.gz GEMGWBDGVZWXJH-IIDMSEBBSA-N 1 3 351.922 2.995 20 0 FFADHO FC(F)(F)c1ccccc1OCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489889250 515016476 /nfs/dbraw/zinc/01/64/76/515016476.db2.gz ZPOWNFKGHMRWMD-MRXNPFEDSA-N 1 3 371.447 2.844 20 0 FFADHO C[C@H](NC(=O)N1CCN(C)CC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498704599 515031517 /nfs/dbraw/zinc/03/15/17/515031517.db2.gz BBTVXPUQEFEKRB-HBFSDRIKSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCN(C)CC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498704599 515031528 /nfs/dbraw/zinc/03/15/28/515031528.db2.gz BBTVXPUQEFEKRB-HBFSDRIKSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000476452444 515055331 /nfs/dbraw/zinc/05/53/31/515055331.db2.gz APITVBLHVKXGSK-HXUWFJFHSA-N 1 3 356.514 2.661 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccccc1 ZINC000480831413 515097626 /nfs/dbraw/zinc/09/76/26/515097626.db2.gz IOPVOAQOGGLGBL-RXVVDRJESA-N 1 3 351.494 2.917 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccccc1 ZINC000480831413 515097637 /nfs/dbraw/zinc/09/76/37/515097637.db2.gz IOPVOAQOGGLGBL-RXVVDRJESA-N 1 3 351.494 2.917 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458790943 515098466 /nfs/dbraw/zinc/09/84/66/515098466.db2.gz YHXUNIRZGWHISK-KRWDZBQOSA-N 1 3 352.548 2.696 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458790943 515098474 /nfs/dbraw/zinc/09/84/74/515098474.db2.gz YHXUNIRZGWHISK-KRWDZBQOSA-N 1 3 352.548 2.696 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000458842559 515136829 /nfs/dbraw/zinc/13/68/29/515136829.db2.gz GUYBBIBWFQUUHN-LJQANCHMSA-N 1 3 350.551 2.912 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000458884981 515170841 /nfs/dbraw/zinc/17/08/41/515170841.db2.gz GNSXIBKQFGVPSK-SFHVURJKSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000458884981 515170844 /nfs/dbraw/zinc/17/08/44/515170844.db2.gz GNSXIBKQFGVPSK-SFHVURJKSA-N 1 3 364.559 2.747 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCCCC1 ZINC000481027056 515178407 /nfs/dbraw/zinc/17/84/07/515178407.db2.gz UPJYFSQSRNKJSS-IEBWSBKVSA-N 1 3 370.607 2.624 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000458942775 515217341 /nfs/dbraw/zinc/21/73/41/515217341.db2.gz VKVWGPPQFYOGNU-OTWHNJEPSA-N 1 3 350.551 2.765 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000481161861 515232286 /nfs/dbraw/zinc/23/22/86/515232286.db2.gz BUMHPXABUBZAAG-CEMLEFRQSA-N 1 3 359.558 2.579 20 0 FFADHO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccco1 ZINC000509599137 515251468 /nfs/dbraw/zinc/25/14/68/515251468.db2.gz FVFIKCQEQIRXMI-SJLPKXTDSA-N 1 3 362.518 2.979 20 0 FFADHO CC(C)[C@H](CSc1ccccc1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491059150 515366262 /nfs/dbraw/zinc/36/62/62/515366262.db2.gz JPZNATYROIZZIG-MJGOQNOKSA-N 1 3 363.571 2.980 20 0 FFADHO CC(C)[C@H](CSc1ccccc1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491059150 515366274 /nfs/dbraw/zinc/36/62/74/515366274.db2.gz JPZNATYROIZZIG-MJGOQNOKSA-N 1 3 363.571 2.980 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000491057926 515366394 /nfs/dbraw/zinc/36/63/94/515366394.db2.gz GBYXARJEQQSQSR-UHFFFAOYSA-N 1 3 370.607 2.769 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000491057926 515366400 /nfs/dbraw/zinc/36/64/00/515366400.db2.gz GBYXARJEQQSQSR-UHFFFAOYSA-N 1 3 370.607 2.769 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2ccccc2C1 ZINC000504777998 515373078 /nfs/dbraw/zinc/37/30/78/515373078.db2.gz HTJWVWVEWHBVNJ-PMACEKPBSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCc2ccccc2C1 ZINC000504777998 515373085 /nfs/dbraw/zinc/37/30/85/515373085.db2.gz HTJWVWVEWHBVNJ-PMACEKPBSA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[NH+](CC)CC ZINC000468490150 515386294 /nfs/dbraw/zinc/38/62/94/515386294.db2.gz VQNCROZEIUAWCZ-NHCUHLMSSA-N 1 3 374.573 2.602 20 0 FFADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000468555926 515413285 /nfs/dbraw/zinc/41/32/85/515413285.db2.gz SYYJDOCNVSLUTN-GFCCVEGCSA-N 1 3 359.283 2.566 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000463276869 515426742 /nfs/dbraw/zinc/42/67/42/515426742.db2.gz QMPNQSQAJBYUJL-MJGOQNOKSA-N 1 3 358.530 2.538 20 0 FFADHO O[C@@H](C(F)F)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459420202 515540199 /nfs/dbraw/zinc/54/01/99/515540199.db2.gz VPLUXHUMYMZXRR-RBUKOAKNSA-N 1 3 361.436 2.877 20 0 FFADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CC2 ZINC000482114676 515579982 /nfs/dbraw/zinc/57/99/82/515579982.db2.gz OOBAZCLUFMVQQR-QFIPXVFZSA-N 1 3 366.509 2.879 20 0 FFADHO COc1ccc([C@@H](NCC2(O)CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000493231912 515611375 /nfs/dbraw/zinc/61/13/75/515611375.db2.gz RSYNZOAPNLOBGB-FQEVSTJZSA-N 1 3 358.457 2.970 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@H]1C ZINC000473558905 515663575 /nfs/dbraw/zinc/66/35/75/515663575.db2.gz BSXHBKNWQYQKAQ-VLFNSIGCSA-N 1 3 355.526 2.838 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@H]1C ZINC000473558905 515663580 /nfs/dbraw/zinc/66/35/80/515663580.db2.gz BSXHBKNWQYQKAQ-VLFNSIGCSA-N 1 3 355.526 2.838 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000493863788 515671445 /nfs/dbraw/zinc/67/14/45/515671445.db2.gz LWORQRKPLZVLSR-GOSISDBHSA-N 1 3 350.482 2.602 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(F)cc1 ZINC000493863788 515671458 /nfs/dbraw/zinc/67/14/58/515671458.db2.gz LWORQRKPLZVLSR-GOSISDBHSA-N 1 3 350.482 2.602 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000463964339 515673416 /nfs/dbraw/zinc/67/34/16/515673416.db2.gz AEEYGWAUFOJDFR-HXUWFJFHSA-N 1 3 374.529 2.569 20 0 FFADHO CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000463964339 515673426 /nfs/dbraw/zinc/67/34/26/515673426.db2.gz AEEYGWAUFOJDFR-HXUWFJFHSA-N 1 3 374.529 2.569 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000510818998 515680100 /nfs/dbraw/zinc/68/01/00/515680100.db2.gz AORSAWUJHNPHJF-GOSISDBHSA-N 1 3 361.530 2.550 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@@H](C)N3CCCCCC3)CCCC2)CC1 ZINC000510850558 515688072 /nfs/dbraw/zinc/68/80/72/515688072.db2.gz KDMIZZTZLFVDTE-GOSISDBHSA-N 1 3 365.562 2.791 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454813180 515762036 /nfs/dbraw/zinc/76/20/36/515762036.db2.gz WVWZMRGYYUNCER-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454813180 515762045 /nfs/dbraw/zinc/76/20/45/515762045.db2.gz WVWZMRGYYUNCER-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000500602459 515787876 /nfs/dbraw/zinc/78/78/76/515787876.db2.gz ADHZPMDNMXACCF-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000500602459 515787884 /nfs/dbraw/zinc/78/78/84/515787884.db2.gz ADHZPMDNMXACCF-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO Cc1cc(NC(=O)NC(C)(C)CCC[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000454913174 515829762 /nfs/dbraw/zinc/82/97/62/515829762.db2.gz BQPUHDAAEIRYFP-UHFFFAOYSA-N 1 3 364.538 2.700 20 0 FFADHO COc1cc(F)c([C@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000482889730 515837555 /nfs/dbraw/zinc/83/75/55/515837555.db2.gz PDSMPXDUQKRTOX-GJZGRUSLSA-N 1 3 354.466 2.730 20 0 FFADHO COc1cc(F)c([C@H](C)NCCCC[N@H+]2CCC[C@H]2CO)cc1OC ZINC000482889730 515837563 /nfs/dbraw/zinc/83/75/63/515837563.db2.gz PDSMPXDUQKRTOX-GJZGRUSLSA-N 1 3 354.466 2.730 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000469490230 515839271 /nfs/dbraw/zinc/83/92/71/515839271.db2.gz PUJUARYZMHWWCU-OTWHNJEPSA-N 1 3 373.541 2.875 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000487536744 515895110 /nfs/dbraw/zinc/89/51/10/515895110.db2.gz KDJOZXPYXCKSMA-BZSNNMDCSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000487535757 515895424 /nfs/dbraw/zinc/89/54/24/515895424.db2.gz JCINWDBRGMABEU-ZSXPUABSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000487535757 515895435 /nfs/dbraw/zinc/89/54/35/515895435.db2.gz JCINWDBRGMABEU-ZSXPUABSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000487534140 515895471 /nfs/dbraw/zinc/89/54/71/515895471.db2.gz HEDWEQGJAZOOPI-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000487534140 515895481 /nfs/dbraw/zinc/89/54/81/515895481.db2.gz HEDWEQGJAZOOPI-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000487533544 515895647 /nfs/dbraw/zinc/89/56/47/515895647.db2.gz GUCVJMJAHYEQDX-YLJYHZDGSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000487533544 515895654 /nfs/dbraw/zinc/89/56/54/515895654.db2.gz GUCVJMJAHYEQDX-YLJYHZDGSA-N 1 3 358.530 2.805 20 0 FFADHO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511439510 515905656 /nfs/dbraw/zinc/90/56/56/515905656.db2.gz YBUZQMDOGNAWKW-SFHVURJKSA-N 1 3 367.484 2.944 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000457523851 515941042 /nfs/dbraw/zinc/94/10/42/515941042.db2.gz HWPIXBUAPQUXGB-UXHICEINSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@H]1C[C@H](C)CN(C(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000501038458 515945655 /nfs/dbraw/zinc/94/56/55/515945655.db2.gz JZHKZNVYKHYEGY-ROUUACIJSA-N 1 3 358.530 2.734 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000501047278 515951544 /nfs/dbraw/zinc/95/15/44/515951544.db2.gz OGPILLPMDAOQPF-GBESFXJTSA-N 1 3 352.567 2.918 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)[C@@H](C)C1 ZINC000469791604 515968274 /nfs/dbraw/zinc/96/82/74/515968274.db2.gz SRFHYFKPSIEZHW-OTWHNJEPSA-N 1 3 355.567 2.747 20 0 FFADHO CC(C)COc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000469853797 515998687 /nfs/dbraw/zinc/99/86/87/515998687.db2.gz UUUYRZFODDCXJU-CTNGQTDRSA-N 1 3 373.541 2.802 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000457640800 516032412 /nfs/dbraw/zinc/03/24/12/516032412.db2.gz RSKGWMLYQRLVKJ-HXUWFJFHSA-N 1 3 372.557 2.725 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000457640800 516032423 /nfs/dbraw/zinc/03/24/23/516032423.db2.gz RSKGWMLYQRLVKJ-HXUWFJFHSA-N 1 3 372.557 2.725 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000479043719 516035597 /nfs/dbraw/zinc/03/55/97/516035597.db2.gz RINGQRPVJYSOGI-MOPGFXCFSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000465000051 516038626 /nfs/dbraw/zinc/03/86/26/516038626.db2.gz ADUCGOPKOIBPCI-WOJBJXKFSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000465000051 516038632 /nfs/dbraw/zinc/03/86/32/516038632.db2.gz ADUCGOPKOIBPCI-WOJBJXKFSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]CCC(C)(C)C(=O)OC)CC1 ZINC000474464614 516057183 /nfs/dbraw/zinc/05/71/83/516057183.db2.gz RHBBCYKINVTRSL-UHFFFAOYSA-N 1 3 361.530 2.503 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1N1CCCC1 ZINC000483390916 516060803 /nfs/dbraw/zinc/06/08/03/516060803.db2.gz HHMSUCHEWHAGKQ-NZSAHSFTSA-N 1 3 365.587 2.679 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1N1CCCC1 ZINC000483390916 516060809 /nfs/dbraw/zinc/06/08/09/516060809.db2.gz HHMSUCHEWHAGKQ-NZSAHSFTSA-N 1 3 365.587 2.679 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000511907568 516075433 /nfs/dbraw/zinc/07/54/33/516075433.db2.gz SVZGBWLDVDJXJG-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000511907568 516075444 /nfs/dbraw/zinc/07/54/44/516075444.db2.gz SVZGBWLDVDJXJG-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO C[NH+](C)CCOCCNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511926548 516081871 /nfs/dbraw/zinc/08/18/71/516081871.db2.gz KBLSAJYEFBSFTD-UHFFFAOYSA-N 1 3 356.392 2.559 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)C2)C1 ZINC000457708664 516087299 /nfs/dbraw/zinc/08/72/99/516087299.db2.gz YZKPTLOGFXWNRW-FQEVSTJZSA-N 1 3 350.551 2.768 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)C2)C1 ZINC000457708664 516087306 /nfs/dbraw/zinc/08/73/06/516087306.db2.gz YZKPTLOGFXWNRW-FQEVSTJZSA-N 1 3 350.551 2.768 20 0 FFADHO NC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000479196123 516102725 /nfs/dbraw/zinc/10/27/25/516102725.db2.gz RRVZEZWOYIKPDK-OAQYLSRUSA-N 1 3 369.484 2.896 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000501512164 516134194 /nfs/dbraw/zinc/13/41/94/516134194.db2.gz IHMMDACJBBVCPX-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO COc1ccc(CNCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000512066084 516136239 /nfs/dbraw/zinc/13/62/39/516136239.db2.gz CPOKTNOFWWWPEU-UHFFFAOYSA-N 1 3 370.335 2.573 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501516984 516137691 /nfs/dbraw/zinc/13/76/91/516137691.db2.gz GCNKCGNGNXTOIN-AZUAARDMSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501516984 516137697 /nfs/dbraw/zinc/13/76/97/516137697.db2.gz GCNKCGNGNXTOIN-AZUAARDMSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000488168778 516143958 /nfs/dbraw/zinc/14/39/58/516143958.db2.gz ZFQRBKCHCJFJQM-QKLQHJQFSA-N 1 3 358.530 2.620 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465425928 516148997 /nfs/dbraw/zinc/14/89/97/516148997.db2.gz CGKUPWZDSFTDDW-SFTDATJTSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465425928 516149010 /nfs/dbraw/zinc/14/90/10/516149010.db2.gz CGKUPWZDSFTDDW-SFTDATJTSA-N 1 3 372.557 2.723 20 0 FFADHO COCCSCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000488242125 516172945 /nfs/dbraw/zinc/17/29/45/516172945.db2.gz GNBHOHQAZITWQI-HDICACEKSA-N 1 3 358.592 2.967 20 0 FFADHO CO[C@@H]1CCCC[C@@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000483730084 516192125 /nfs/dbraw/zinc/19/21/25/516192125.db2.gz PPXVDIBRCPHROG-LEWJYISDSA-N 1 3 373.541 2.623 20 0 FFADHO Cn1nccc1-c1ccccc1CNCc1ccnc(OCC[NH+](C)C)c1 ZINC000512195471 516192735 /nfs/dbraw/zinc/19/27/35/516192735.db2.gz NVQCYGLZLXSYNQ-UHFFFAOYSA-N 1 3 365.481 2.712 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000465607694 516210232 /nfs/dbraw/zinc/21/02/32/516210232.db2.gz VIHXZXNPHUDZSM-NRFANRHFSA-N 1 3 368.525 2.828 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1F ZINC000501756491 516216256 /nfs/dbraw/zinc/21/62/56/516216256.db2.gz NZWDOFDHWZOOFC-SFHVURJKSA-N 1 3 367.484 2.772 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1F ZINC000501756491 516216261 /nfs/dbraw/zinc/21/62/61/516216261.db2.gz NZWDOFDHWZOOFC-SFHVURJKSA-N 1 3 367.484 2.772 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000507494409 516223088 /nfs/dbraw/zinc/22/30/88/516223088.db2.gz JMGNFPNVXYKNTK-RBBKRZOGSA-N 1 3 359.558 2.989 20 0 FFADHO CCNC(=O)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000488479335 516235882 /nfs/dbraw/zinc/23/58/82/516235882.db2.gz AZBIIJYMFUFYFO-XUVXKRRUSA-N 1 3 355.526 2.793 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465732974 516242166 /nfs/dbraw/zinc/24/21/66/516242166.db2.gz XGNOYGXXAGWBTE-SFTDATJTSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465732974 516242173 /nfs/dbraw/zinc/24/21/73/516242173.db2.gz XGNOYGXXAGWBTE-SFTDATJTSA-N 1 3 372.557 2.723 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488523929 516249537 /nfs/dbraw/zinc/24/95/37/516249537.db2.gz MSRTXLKTPPMIFW-PIPMEXSNSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488523929 516249545 /nfs/dbraw/zinc/24/95/45/516249545.db2.gz MSRTXLKTPPMIFW-PIPMEXSNSA-N 1 3 370.541 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nccc2ccccc21 ZINC000512363865 516252737 /nfs/dbraw/zinc/25/27/37/516252737.db2.gz WAUFNNVDRDLZAF-SFHVURJKSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nccc2ccccc21 ZINC000512363865 516252749 /nfs/dbraw/zinc/25/27/49/516252749.db2.gz WAUFNNVDRDLZAF-SFHVURJKSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nccc2ccccc21 ZINC000512363864 516252896 /nfs/dbraw/zinc/25/28/96/516252896.db2.gz WAUFNNVDRDLZAF-GOSISDBHSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nccc2ccccc21 ZINC000512363864 516252901 /nfs/dbraw/zinc/25/29/01/516252901.db2.gz WAUFNNVDRDLZAF-GOSISDBHSA-N 1 3 354.498 2.723 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512627812 516316142 /nfs/dbraw/zinc/31/61/42/516316142.db2.gz BGEPESYYROYBFW-FVTFTPSCSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512627812 516316147 /nfs/dbraw/zinc/31/61/47/516316147.db2.gz BGEPESYYROYBFW-FVTFTPSCSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512627812 516316148 /nfs/dbraw/zinc/31/61/48/516316148.db2.gz BGEPESYYROYBFW-FVTFTPSCSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512627816 516316374 /nfs/dbraw/zinc/31/63/74/516316374.db2.gz BGEPESYYROYBFW-RYFAJOAYSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512627816 516316377 /nfs/dbraw/zinc/31/63/77/516316377.db2.gz BGEPESYYROYBFW-RYFAJOAYSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512627816 516316381 /nfs/dbraw/zinc/31/63/81/516316381.db2.gz BGEPESYYROYBFW-RYFAJOAYSA-N 1 3 357.542 2.597 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCN4CCSCC4)[C@@H]3C2)cc1 ZINC000512662649 516319342 /nfs/dbraw/zinc/31/93/42/516319342.db2.gz ZGXOYOQEMDJSBD-PWRODBHTSA-N 1 3 359.583 2.926 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCN4CCSCC4)[C@@H]3C2)cc1 ZINC000512662649 516319344 /nfs/dbraw/zinc/31/93/44/516319344.db2.gz ZGXOYOQEMDJSBD-PWRODBHTSA-N 1 3 359.583 2.926 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCN4CCSCC4)[C@@H]3C2)cc1 ZINC000512662649 516319346 /nfs/dbraw/zinc/31/93/46/516319346.db2.gz ZGXOYOQEMDJSBD-PWRODBHTSA-N 1 3 359.583 2.926 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000522852302 516331181 /nfs/dbraw/zinc/33/11/81/516331181.db2.gz SQYGLKYSNPOFQO-TZIWHRDSSA-N 1 3 357.542 2.932 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000522852302 516331191 /nfs/dbraw/zinc/33/11/91/516331191.db2.gz SQYGLKYSNPOFQO-TZIWHRDSSA-N 1 3 357.542 2.932 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522878244 516338725 /nfs/dbraw/zinc/33/87/25/516338725.db2.gz CCCIOTLQRUGYGG-NRFANRHFSA-N 1 3 372.557 2.874 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000531217044 516352995 /nfs/dbraw/zinc/35/29/95/516352995.db2.gz NOPXWCNMRNJIAU-MSOLQXFVSA-N 1 3 358.530 2.986 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557643107 516355474 /nfs/dbraw/zinc/35/54/74/516355474.db2.gz DUICOSIILWMMMU-RBBKRZOGSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557643107 516355486 /nfs/dbraw/zinc/35/54/86/516355486.db2.gz DUICOSIILWMMMU-RBBKRZOGSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@H](n2cncn2)C1 ZINC000550665908 516376195 /nfs/dbraw/zinc/37/61/95/516376195.db2.gz QYKOHNKKVZCZPM-HSALFYBXSA-N 1 3 374.577 2.548 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC2=CC[NH2+]CC2)c2cccs2)CC1 ZINC000561148512 516408580 /nfs/dbraw/zinc/40/85/80/516408580.db2.gz CAMUYNHZNWNFFW-QGZVFWFLSA-N 1 3 362.543 2.740 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000554389644 516418977 /nfs/dbraw/zinc/41/89/77/516418977.db2.gz SNEHHNAHJCFDMS-QAPCUYQASA-N 1 3 360.502 2.847 20 0 FFADHO CC(C)Cn1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc21 ZINC000531357476 516426932 /nfs/dbraw/zinc/42/69/32/516426932.db2.gz CSTVHCCWWDJMOA-UHFFFAOYSA-N 1 3 358.530 2.863 20 0 FFADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)c1 ZINC000517763128 516444133 /nfs/dbraw/zinc/44/41/33/516444133.db2.gz ICNWPJPLWKZTPW-HXUWFJFHSA-N 1 3 373.522 2.563 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000554478297 516455731 /nfs/dbraw/zinc/45/57/31/516455731.db2.gz ADQQXQDFCDWCMQ-GOSISDBHSA-N 1 3 364.509 2.992 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1CCC[C@H](C)C1 ZINC000557854914 516472675 /nfs/dbraw/zinc/47/26/75/516472675.db2.gz JJADPZSQXYUQHI-ROUUACIJSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1CCC[C@H](C)C1 ZINC000557854914 516472683 /nfs/dbraw/zinc/47/26/83/516472683.db2.gz JJADPZSQXYUQHI-ROUUACIJSA-N 1 3 364.534 2.863 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000544004640 516534713 /nfs/dbraw/zinc/53/47/13/516534713.db2.gz ACIDWYWBBCQNAM-MRXNPFEDSA-N 1 3 353.304 2.873 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(C)[nH]nc3C(F)F)CC2)CC1 ZINC000518212774 516575744 /nfs/dbraw/zinc/57/57/44/516575744.db2.gz GYBOQOSTWYKHPZ-UHFFFAOYSA-N 1 3 369.460 2.791 20 0 FFADHO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000551165737 516587768 /nfs/dbraw/zinc/58/77/68/516587768.db2.gz XQLWPTNSQDJYAN-NALMEZQBSA-N 1 3 356.576 2.832 20 0 FFADHO CCN(CC[NH+]1CCCCCC1)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000558134787 516610074 /nfs/dbraw/zinc/61/00/74/516610074.db2.gz QZPZZYPURVEJGV-NRFANRHFSA-N 1 3 374.573 2.603 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000518403802 516647137 /nfs/dbraw/zinc/64/71/37/516647137.db2.gz WIDVQVHHHWTFJC-WSTZPKSXSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H]([NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000554862139 516669409 /nfs/dbraw/zinc/66/94/09/516669409.db2.gz CTOZIKIMHKXBAP-YRISNDGFSA-N 1 3 362.514 2.579 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000554881841 516678442 /nfs/dbraw/zinc/67/84/42/516678442.db2.gz FKQVHMMWWVBNSN-JKSUJKDBSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c(OC)c1 ZINC000554881841 516678445 /nfs/dbraw/zinc/67/84/45/516678445.db2.gz FKQVHMMWWVBNSN-JKSUJKDBSA-N 1 3 363.502 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c(OC)c1 ZINC000554881841 516678455 /nfs/dbraw/zinc/67/84/55/516678455.db2.gz FKQVHMMWWVBNSN-JKSUJKDBSA-N 1 3 363.502 2.741 20 0 FFADHO O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000518514656 516689544 /nfs/dbraw/zinc/68/95/44/516689544.db2.gz FZVXFCSTFAMJJF-YZGWKJHDSA-N 1 3 371.525 2.897 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524474187 516733065 /nfs/dbraw/zinc/73/30/65/516733065.db2.gz IROAYZKFGDULAJ-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000524474187 516733070 /nfs/dbraw/zinc/73/30/70/516733070.db2.gz IROAYZKFGDULAJ-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO COc1cc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)ccc1SC ZINC000531959889 516733595 /nfs/dbraw/zinc/73/35/95/516733595.db2.gz NSXZDZSSVATOJW-GOEBONIOSA-N 1 3 365.543 2.655 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2c1cccc2C ZINC000524631758 516773350 /nfs/dbraw/zinc/77/33/50/516773350.db2.gz WSBKMSSVSWHADF-LJQANCHMSA-N 1 3 370.541 2.893 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2c1cccc2C ZINC000524631758 516773355 /nfs/dbraw/zinc/77/33/55/516773355.db2.gz WSBKMSSVSWHADF-LJQANCHMSA-N 1 3 370.541 2.893 20 0 FFADHO Cc1nc(-c2ccccc2C)sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000548185832 516813506 /nfs/dbraw/zinc/81/35/06/516813506.db2.gz GIUBRFTYBWCSPB-UHFFFAOYSA-N 1 3 374.554 2.992 20 0 FFADHO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(F)c(CN[C@H](CO)C(C)(C)C)c1 ZINC000518902559 516815857 /nfs/dbraw/zinc/81/58/57/516815857.db2.gz XFSIEAUPPYRPMO-ZWKOTPCHSA-N 1 3 354.510 2.819 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000518937025 516825797 /nfs/dbraw/zinc/82/57/97/516825797.db2.gz WIIYEPWMTKXNAD-MRXNPFEDSA-N 1 3 373.526 2.555 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000532315362 516905651 /nfs/dbraw/zinc/90/56/51/516905651.db2.gz FMRGWWRUKBFXQC-MISYRCLQSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000532315362 516905663 /nfs/dbraw/zinc/90/56/63/516905663.db2.gz FMRGWWRUKBFXQC-MISYRCLQSA-N 1 3 358.530 2.679 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)N(C)C)c1 ZINC000514564290 516941658 /nfs/dbraw/zinc/94/16/58/516941658.db2.gz DNEFGENEXADLKT-HXUWFJFHSA-N 1 3 374.529 2.568 20 0 FFADHO CN1CC[NH+](CC2CCN(CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000562204370 516957827 /nfs/dbraw/zinc/95/78/27/516957827.db2.gz BVKGNKRLUVPEQF-UHFFFAOYSA-N 1 3 353.913 2.981 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000558899151 516993583 /nfs/dbraw/zinc/99/35/83/516993583.db2.gz WGXDMKKWVMMHMO-CRAIPNDOSA-N 1 3 366.937 2.974 20 0 FFADHO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cccc(OCCN(C)C)c1 ZINC000532521552 517018479 /nfs/dbraw/zinc/01/84/79/517018479.db2.gz DJAKDXPJWNNXJV-QGZVFWFLSA-N 1 3 354.494 2.808 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000552033271 517041424 /nfs/dbraw/zinc/04/14/24/517041424.db2.gz VEKRELJXCKLVIS-HNNXBMFYSA-N 1 3 353.532 2.603 20 0 FFADHO CCN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000529353272 517095881 /nfs/dbraw/zinc/09/58/81/517095881.db2.gz GPIAJALUGWTNNA-OALUTQOASA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000529390220 517121006 /nfs/dbraw/zinc/12/10/06/517121006.db2.gz XVFFBDPLKLSSNW-HNNXBMFYSA-N 1 3 373.328 2.990 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000552210485 517144055 /nfs/dbraw/zinc/14/40/55/517144055.db2.gz GLEFMGBGQGSVEY-BHYGNILZSA-N 1 3 351.922 2.832 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000552210485 517144066 /nfs/dbraw/zinc/14/40/66/517144066.db2.gz GLEFMGBGQGSVEY-BHYGNILZSA-N 1 3 351.922 2.832 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000519726782 517148908 /nfs/dbraw/zinc/14/89/08/517148908.db2.gz NQFLDHSPIRKDIK-INIZCTEOSA-N 1 3 361.530 2.943 20 0 FFADHO Cc1nc2c(s1)[C@@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CCC2 ZINC000537443551 517190036 /nfs/dbraw/zinc/19/00/36/517190036.db2.gz AZEZVDDHSKSOBS-HOTGVXAUSA-N 1 3 352.548 2.511 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000519829035 517207182 /nfs/dbraw/zinc/20/71/82/517207182.db2.gz SUKQUZJVGQCOOK-COPCDDAFSA-N 1 3 365.521 2.973 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000537504918 517212557 /nfs/dbraw/zinc/21/25/57/517212557.db2.gz ASEKLXYKTFKZDM-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H](C(C)C)N2CCCCC2)C[C@H]1[NH+]1CCCC1 ZINC000541841850 517245935 /nfs/dbraw/zinc/24/59/35/517245935.db2.gz LWGXBTWANPPTBG-KZNAEPCWSA-N 1 3 353.576 2.535 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000537647514 517277768 /nfs/dbraw/zinc/27/77/68/517277768.db2.gz MJXHQTBQEICBOQ-UHFFFAOYSA-N 1 3 359.518 2.837 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000537647514 517277779 /nfs/dbraw/zinc/27/77/79/517277779.db2.gz MJXHQTBQEICBOQ-UHFFFAOYSA-N 1 3 359.518 2.837 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000515358003 517315981 /nfs/dbraw/zinc/31/59/81/517315981.db2.gz JWDDAFAQUFQOBK-GOSISDBHSA-N 1 3 366.937 2.974 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000548972253 517334492 /nfs/dbraw/zinc/33/44/92/517334492.db2.gz LLMRQRKDXNGUDX-YJBOKZPZSA-N 1 3 366.937 2.974 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000548972253 517334500 /nfs/dbraw/zinc/33/45/00/517334500.db2.gz LLMRQRKDXNGUDX-YJBOKZPZSA-N 1 3 366.937 2.974 20 0 FFADHO Cc1cc(C)c([C@H](C)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)c1 ZINC000520379393 517368568 /nfs/dbraw/zinc/36/85/68/517368568.db2.gz USJAFUSJYYXSHJ-DFQSSKMNSA-N 1 3 370.541 2.893 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000545858523 517394643 /nfs/dbraw/zinc/39/46/43/517394643.db2.gz BCQMFUVKBQLFHH-QUCCMNQESA-N 1 3 356.514 2.601 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000545858523 517394653 /nfs/dbraw/zinc/39/46/53/517394653.db2.gz BCQMFUVKBQLFHH-QUCCMNQESA-N 1 3 356.514 2.601 20 0 FFADHO OC[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)O1 ZINC000559870353 517466107 /nfs/dbraw/zinc/46/61/07/517466107.db2.gz GZNCREXFRPYZMT-LILSUDLASA-N 1 3 358.526 2.807 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)cc2)CC1 ZINC000530031027 517512764 /nfs/dbraw/zinc/51/27/64/517512764.db2.gz XZJDHZLMJOQAEY-NRFANRHFSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)cc2)CC1 ZINC000530031027 517512776 /nfs/dbraw/zinc/51/27/76/517512776.db2.gz XZJDHZLMJOQAEY-NRFANRHFSA-N 1 3 370.541 2.575 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[NH+]1CCC(C)CC1 ZINC000520893849 517544704 /nfs/dbraw/zinc/54/47/04/517544704.db2.gz IACPIMNQRUCKMM-AZUAARDMSA-N 1 3 360.546 2.579 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000562987316 517560357 /nfs/dbraw/zinc/56/03/57/517560357.db2.gz XOOLHWCSTSXDEL-GNAXCBTBSA-N 1 3 360.498 2.684 20 0 FFADHO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[N@@H+]1CCCC[C@H]1C ZINC000516158604 517590526 /nfs/dbraw/zinc/59/05/26/517590526.db2.gz IAYMAEQXOPXCJL-QWFCFKBJSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[N@H+]1CCCC[C@H]1C ZINC000516158604 517590532 /nfs/dbraw/zinc/59/05/32/517590532.db2.gz IAYMAEQXOPXCJL-QWFCFKBJSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000549502180 517591827 /nfs/dbraw/zinc/59/18/27/517591827.db2.gz YBBDJHKWZGXFKT-MZMPZRCHSA-N 1 3 364.921 2.867 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000549502180 517591835 /nfs/dbraw/zinc/59/18/35/517591835.db2.gz YBBDJHKWZGXFKT-MZMPZRCHSA-N 1 3 364.921 2.867 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000521180871 517641753 /nfs/dbraw/zinc/64/17/53/517641753.db2.gz KHLXBRNNZSXBHC-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000521180871 517641759 /nfs/dbraw/zinc/64/17/59/517641759.db2.gz KHLXBRNNZSXBHC-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO c1nc(-c2ccccn2)sc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248510 517653644 /nfs/dbraw/zinc/65/36/44/517653644.db2.gz LPAKEKRRSMDMDA-INIZCTEOSA-N 1 3 358.511 2.796 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563153580 517698330 /nfs/dbraw/zinc/69/83/30/517698330.db2.gz BWHSJGKXQXYJDN-DJIMGWMZSA-N 1 3 365.468 2.806 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000549807888 517719555 /nfs/dbraw/zinc/71/95/55/517719555.db2.gz PYTKXDCIYFBWES-GHTZIAJQSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000549807888 517719560 /nfs/dbraw/zinc/71/95/60/517719560.db2.gz PYTKXDCIYFBWES-GHTZIAJQSA-N 1 3 373.541 2.524 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000563205220 517735110 /nfs/dbraw/zinc/73/51/10/517735110.db2.gz BDWMWBYJOLMVKT-SIKLNZKXSA-N 1 3 370.541 2.926 20 0 FFADHO CN(CCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1cc[nH+]cc1 ZINC000542783865 517736877 /nfs/dbraw/zinc/73/68/77/517736877.db2.gz BTQBCCPBTSJPIO-UHFFFAOYSA-N 1 3 368.481 2.503 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N2CCCN(C)CC2)c2ccccc2)CC1 ZINC000516559122 517742283 /nfs/dbraw/zinc/74/22/83/517742283.db2.gz UMUICZSPZNSBHV-HXUWFJFHSA-N 1 3 358.530 2.807 20 0 FFADHO C[NH+](C)CCOc1ccccc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000521508482 517759851 /nfs/dbraw/zinc/75/98/51/517759851.db2.gz OXSUSTUBDHCIMJ-UHFFFAOYSA-N 1 3 373.541 2.965 20 0 FFADHO CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000521540495 517769481 /nfs/dbraw/zinc/76/94/81/517769481.db2.gz HPTPLOZKDMHBDO-SFHVURJKSA-N 1 3 361.505 2.980 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000553599156 517802541 /nfs/dbraw/zinc/80/25/41/517802541.db2.gz KZWOTJKHBGQWPO-SFHVURJKSA-N 1 3 364.534 2.865 20 0 FFADHO CN(C)CC[NH+]1CCC(CNCc2ccsc2Br)CC1 ZINC000527653524 517822926 /nfs/dbraw/zinc/82/29/26/517822926.db2.gz LUOHJLKGSMTMER-UHFFFAOYSA-N 1 3 360.365 2.874 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000516857057 517875554 /nfs/dbraw/zinc/87/55/54/517875554.db2.gz MXWKYAQTBISCSD-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000546830409 517878800 /nfs/dbraw/zinc/87/88/00/517878800.db2.gz HUVGWFWGCKAKBQ-NRFANRHFSA-N 1 3 371.525 2.998 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000557167070 517896033 /nfs/dbraw/zinc/89/60/33/517896033.db2.gz CBXAEZPJECTXAB-HHXXYDBFSA-N 1 3 364.559 2.820 20 0 FFADHO Cc1ncc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1-c1ccccc1 ZINC000563460803 517916682 /nfs/dbraw/zinc/91/66/82/517916682.db2.gz TXASPPVWDVIVLU-LEWJYISDSA-N 1 3 354.498 2.899 20 0 FFADHO [NH3+][C@@H]1C[C@@H]2CN(c3ccnc4ccc(Oc5ccccc5)cc43)CCN2C1=O ZINC000522014149 517949927 /nfs/dbraw/zinc/94/99/27/517949927.db2.gz PFGQRTVSHHXUCE-DNVCBOLYSA-N 1 3 374.444 2.775 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000553886147 517952164 /nfs/dbraw/zinc/95/21/64/517952164.db2.gz OXKUCERQQUQLKX-RTBURBONSA-N 1 3 354.922 2.676 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@H]1CCCO1 ZINC000527957707 518012425 /nfs/dbraw/zinc/01/24/25/518012425.db2.gz SAYWAPDTVKOTGV-ZGJYDULXSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000517122758 518032746 /nfs/dbraw/zinc/03/27/46/518032746.db2.gz DRMAOYDUBRYOCT-YSIASYRMSA-N 1 3 372.582 2.585 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000517122758 518032754 /nfs/dbraw/zinc/03/27/54/518032754.db2.gz DRMAOYDUBRYOCT-YSIASYRMSA-N 1 3 372.582 2.585 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000522286963 518064849 /nfs/dbraw/zinc/06/48/49/518064849.db2.gz XTCZBGNXQNKUTR-KRWDZBQOSA-N 1 3 372.513 2.665 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000522286963 518064858 /nfs/dbraw/zinc/06/48/58/518064858.db2.gz XTCZBGNXQNKUTR-KRWDZBQOSA-N 1 3 372.513 2.665 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C12CCC2 ZINC000539495126 518075711 /nfs/dbraw/zinc/07/57/11/518075711.db2.gz FKQRSQRPZOPSJX-PMACEKPBSA-N 1 3 358.530 2.531 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534973634 518104318 /nfs/dbraw/zinc/10/43/18/518104318.db2.gz XVZOEAXNLHJWIV-HXUWFJFHSA-N 1 3 365.949 2.697 20 0 FFADHO O=C(CN1CCC[C@H](Cc2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000517324315 518118797 /nfs/dbraw/zinc/11/87/97/518118797.db2.gz OQPNOUQHTPROLO-LJQANCHMSA-N 1 3 355.526 2.684 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000535212839 518166623 /nfs/dbraw/zinc/16/66/23/518166623.db2.gz RRSLIHWGMRHOMH-SFTDATJTSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[NH+]1CCC(C)CC1 ZINC000535367022 518176688 /nfs/dbraw/zinc/17/66/88/518176688.db2.gz WIZYWTJYRJWRLN-MISYRCLQSA-N 1 3 358.530 2.851 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)C1 ZINC000566843718 518228733 /nfs/dbraw/zinc/22/87/33/518228733.db2.gz RXKLMAOMLIWFOC-ICSRJNTNSA-N 1 3 358.461 2.730 20 0 FFADHO NC[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000566845171 518229174 /nfs/dbraw/zinc/22/91/74/518229174.db2.gz WGSPSOQWILQQDA-QRWLVFNGSA-N 1 3 352.482 2.623 20 0 FFADHO NC[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000566845171 518229184 /nfs/dbraw/zinc/22/91/84/518229184.db2.gz WGSPSOQWILQQDA-QRWLVFNGSA-N 1 3 352.482 2.623 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578486360 518231337 /nfs/dbraw/zinc/23/13/37/518231337.db2.gz CZCMVNBQWGXGFJ-KRWDZBQOSA-N 1 3 354.926 2.974 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578486360 518231344 /nfs/dbraw/zinc/23/13/44/518231344.db2.gz CZCMVNBQWGXGFJ-KRWDZBQOSA-N 1 3 354.926 2.974 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000572557453 518244973 /nfs/dbraw/zinc/24/49/73/518244973.db2.gz XRDMIUVLCBNGPL-RTBURBONSA-N 1 3 362.562 2.825 20 0 FFADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000569727291 518260170 /nfs/dbraw/zinc/26/01/70/518260170.db2.gz PRWMKIFCBOZAFI-VQIMIIECSA-N 1 3 372.513 2.828 20 0 FFADHO O=C1c2ccccc2C(=O)N1CC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000575744864 518261309 /nfs/dbraw/zinc/26/13/09/518261309.db2.gz GOXRJFJWSGZOGL-UHFFFAOYSA-N 1 3 355.482 2.527 20 0 FFADHO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000578731089 518348319 /nfs/dbraw/zinc/34/83/19/518348319.db2.gz APGACQZHOLUYIQ-LJQANCHMSA-N 1 3 358.530 2.722 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567108342 518355599 /nfs/dbraw/zinc/35/55/99/518355599.db2.gz JFUZZYURTRGNBE-QFBILLFUSA-N 1 3 358.530 2.765 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567108342 518355603 /nfs/dbraw/zinc/35/56/03/518355603.db2.gz JFUZZYURTRGNBE-QFBILLFUSA-N 1 3 358.530 2.765 20 0 FFADHO CN1CCC(C[NH2+][C@H](CC2CC2)c2ccccc2)(N2CCOCC2)CC1 ZINC000575969958 518366975 /nfs/dbraw/zinc/36/69/75/518366975.db2.gz GKLLVYHIAGPOOI-OAQYLSRUSA-N 1 3 357.542 2.914 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000575973522 518369385 /nfs/dbraw/zinc/36/93/85/518369385.db2.gz XVLXPNKYAAQWFG-LFGUQSLTSA-N 1 3 358.530 2.584 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1cccs1 ZINC000575980981 518371871 /nfs/dbraw/zinc/37/18/71/518371871.db2.gz PVBABGWJGZORJS-HWMZRRJGSA-N 1 3 350.532 2.700 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000572861522 518395944 /nfs/dbraw/zinc/39/59/44/518395944.db2.gz RTTLMSOZDYUGQJ-UHFFFAOYSA-N 1 3 362.543 2.659 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000572861522 518395948 /nfs/dbraw/zinc/39/59/48/518395948.db2.gz RTTLMSOZDYUGQJ-UHFFFAOYSA-N 1 3 362.543 2.659 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3COc4ccc(C)cc43)CC2)CC1 ZINC000581674914 518401933 /nfs/dbraw/zinc/40/19/33/518401933.db2.gz CHFYALYJQHBBPH-FQEVSTJZSA-N 1 3 371.525 2.741 20 0 FFADHO CCCCOc1cccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000567235432 518422692 /nfs/dbraw/zinc/42/26/92/518422692.db2.gz JZZJPBGRTRCZSF-UXHICEINSA-N 1 3 373.541 2.803 20 0 FFADHO CN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCN(C2CC2)C1 ZINC000581777380 518450300 /nfs/dbraw/zinc/45/03/00/518450300.db2.gz BUBWBTUNRSLCEF-WOJBJXKFSA-N 1 3 352.482 2.718 20 0 FFADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(SC)cc1OC ZINC000564452580 518457615 /nfs/dbraw/zinc/45/76/15/518457615.db2.gz GQMLCIADTFKOSQ-BEFAXECRSA-N 1 3 366.527 2.754 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000570184260 518483904 /nfs/dbraw/zinc/48/39/04/518483904.db2.gz TXWDAMJAUZIAOU-UHFFFAOYSA-N 1 3 366.893 2.816 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000576216318 518485239 /nfs/dbraw/zinc/48/52/39/518485239.db2.gz CQSDVFQAYVGIQQ-WOJBJXKFSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000576216318 518485245 /nfs/dbraw/zinc/48/52/45/518485245.db2.gz CQSDVFQAYVGIQQ-WOJBJXKFSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000576216316 518485365 /nfs/dbraw/zinc/48/53/65/518485365.db2.gz CQSDVFQAYVGIQQ-UXHICEINSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000576216316 518485369 /nfs/dbraw/zinc/48/53/69/518485369.db2.gz CQSDVFQAYVGIQQ-UXHICEINSA-N 1 3 370.541 2.825 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220129 518487183 /nfs/dbraw/zinc/48/71/83/518487183.db2.gz DONBDQNNCIKCIJ-CTNGQTDRSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220129 518487186 /nfs/dbraw/zinc/48/71/86/518487186.db2.gz DONBDQNNCIKCIJ-CTNGQTDRSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220129 518487195 /nfs/dbraw/zinc/48/71/95/518487195.db2.gz DONBDQNNCIKCIJ-CTNGQTDRSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220130 518488074 /nfs/dbraw/zinc/48/80/74/518488074.db2.gz DONBDQNNCIKCIJ-FPOVZHCZSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220130 518488077 /nfs/dbraw/zinc/48/80/77/518488077.db2.gz DONBDQNNCIKCIJ-FPOVZHCZSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220130 518488081 /nfs/dbraw/zinc/48/80/81/518488081.db2.gz DONBDQNNCIKCIJ-FPOVZHCZSA-N 1 3 372.484 2.720 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000564569294 518507299 /nfs/dbraw/zinc/50/72/99/518507299.db2.gz YBXVFVVKTCVJRS-WOJBJXKFSA-N 1 3 361.530 2.719 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3c4ccccc4O[C@@H]3C)CC2)CC1 ZINC000581953653 518519130 /nfs/dbraw/zinc/51/91/30/518519130.db2.gz VKFPKOKIXYUQCY-IIBYNOLFSA-N 1 3 371.525 2.821 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c[nH]nc4c3)CC2)CC1 ZINC000573134708 518522252 /nfs/dbraw/zinc/52/22/52/518522252.db2.gz QWVZJHLYODNZAU-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCC1=CC[NH2+]CC1 ZINC000567454599 518531689 /nfs/dbraw/zinc/53/16/89/518531689.db2.gz MFGNPFAKFLICQP-FQEVSTJZSA-N 1 3 370.541 2.678 20 0 FFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000576465706 518606277 /nfs/dbraw/zinc/60/62/77/518606277.db2.gz JWPCXIUEGCOEBC-RBBKRZOGSA-N 1 3 370.585 2.799 20 0 FFADHO C[N@H+](C[C@@H](O)CNCCc1cc(Cl)ccc1Br)C1CC1 ZINC000567687602 518655542 /nfs/dbraw/zinc/65/55/42/518655542.db2.gz ZUMYOAXZIMUQBZ-AWEZNQCLSA-N 1 3 361.711 2.690 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCCc1cc(Cl)ccc1Br)C1CC1 ZINC000567687602 518655551 /nfs/dbraw/zinc/65/55/51/518655551.db2.gz ZUMYOAXZIMUQBZ-AWEZNQCLSA-N 1 3 361.711 2.690 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2)c(OC)c1 ZINC000573444845 518669164 /nfs/dbraw/zinc/66/91/64/518669164.db2.gz HESJNUBMGBNIGS-CQSZACIVSA-N 1 3 357.454 2.669 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000579452864 518687609 /nfs/dbraw/zinc/68/76/09/518687609.db2.gz IEQHWOJIUVNZER-QWFCFKBJSA-N 1 3 373.545 2.595 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000579462944 518693735 /nfs/dbraw/zinc/69/37/35/518693735.db2.gz OJFDGSGYGVPTEQ-FUHWJXTLSA-N 1 3 371.447 2.931 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC000576702798 518721451 /nfs/dbraw/zinc/72/14/51/518721451.db2.gz FVORMDIWLIKRBG-MRXNPFEDSA-N 1 3 356.514 2.549 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000579572549 518745961 /nfs/dbraw/zinc/74/59/61/518745961.db2.gz YAXXOGWEBVYCCC-RDJZCZTQSA-N 1 3 352.548 2.818 20 0 FFADHO Cc1ccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)c(OCCN(C)C)c1 ZINC000576759046 518750887 /nfs/dbraw/zinc/75/08/87/518750887.db2.gz PXQIEHPRTVAYCK-GOSISDBHSA-N 1 3 355.482 2.834 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000576837380 518788694 /nfs/dbraw/zinc/78/86/94/518788694.db2.gz JGJDMMINXFPSNE-XHSDSOJGSA-N 1 3 355.320 2.768 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC[C@@H](N)C2)cc1Br ZINC000576837380 518788703 /nfs/dbraw/zinc/78/87/03/518788703.db2.gz JGJDMMINXFPSNE-XHSDSOJGSA-N 1 3 355.320 2.768 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000573752407 518817923 /nfs/dbraw/zinc/81/79/23/518817923.db2.gz GYJFMYLDWNHNNC-MISYRCLQSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000573752407 518817927 /nfs/dbraw/zinc/81/79/27/518817927.db2.gz GYJFMYLDWNHNNC-MISYRCLQSA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1nccs1 ZINC000565187759 518832976 /nfs/dbraw/zinc/83/29/76/518832976.db2.gz GCBRZSIGPDLOTO-QGZVFWFLSA-N 1 3 364.559 2.907 20 0 FFADHO CNC[C@@](C)(O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000568049961 518848822 /nfs/dbraw/zinc/84/88/22/518848822.db2.gz BEBSKTXHEJOEAH-QGZVFWFLSA-N 1 3 360.420 2.767 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000579811476 518866044 /nfs/dbraw/zinc/86/60/44/518866044.db2.gz XYQXYFKDSMOTCD-IBGZPJMESA-N 1 3 374.529 2.999 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CN1CCC(C)(C)C1 ZINC000577003846 518868892 /nfs/dbraw/zinc/86/88/92/518868892.db2.gz ZVYAPWWAHKTNTM-UHFFFAOYSA-N 1 3 358.530 2.878 20 0 FFADHO CCCOc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000579837512 518881270 /nfs/dbraw/zinc/88/12/70/518881270.db2.gz GFSOAFXKFAMWIK-AZUAARDMSA-N 1 3 359.514 2.556 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cnn(C)c1 ZINC000579861507 518892177 /nfs/dbraw/zinc/89/21/77/518892177.db2.gz VPMBURZDSCWGKI-GHTZIAJQSA-N 1 3 368.525 3.000 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(Cc2ccccc2)c1 ZINC000571091439 518920488 /nfs/dbraw/zinc/92/04/88/518920488.db2.gz WBWOWYSDGKCIQX-QFIPXVFZSA-N 1 3 369.557 2.779 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(Cc2ccccc2)c1 ZINC000571091439 518920493 /nfs/dbraw/zinc/92/04/93/518920493.db2.gz WBWOWYSDGKCIQX-QFIPXVFZSA-N 1 3 369.557 2.779 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000582804974 518931262 /nfs/dbraw/zinc/93/12/62/518931262.db2.gz BAVZWHLIQFSSPY-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000582804974 518931268 /nfs/dbraw/zinc/93/12/68/518931268.db2.gz BAVZWHLIQFSSPY-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@@H+]1CC[C@](O)(CN[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000580099058 519008124 /nfs/dbraw/zinc/00/81/24/519008124.db2.gz OOAYVXGDSHYXER-SJORKVTESA-N 1 3 353.304 2.873 20 0 FFADHO C[N@H+]1CC[C@](O)(CN[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000580099058 519008129 /nfs/dbraw/zinc/00/81/29/519008129.db2.gz OOAYVXGDSHYXER-SJORKVTESA-N 1 3 353.304 2.873 20 0 FFADHO CCc1ccc([C@H](CN2CCOCC2)NCc2ccc(C[NH3+])cc2)cc1 ZINC000565599154 519037713 /nfs/dbraw/zinc/03/77/13/519037713.db2.gz NLUBNEVUFKSDRB-QFIPXVFZSA-N 1 3 353.510 2.871 20 0 FFADHO [NH3+]CCC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000580190920 519054078 /nfs/dbraw/zinc/05/40/78/519054078.db2.gz XWVGXRFYVJEQKB-RTWAWAEBSA-N 1 3 366.509 2.890 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000565647807 519062762 /nfs/dbraw/zinc/06/27/62/519062762.db2.gz XJQHFHNWACNRBH-DFQSSKMNSA-N 1 3 358.530 2.813 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000571387750 519072318 /nfs/dbraw/zinc/07/23/18/519072318.db2.gz AAACPCARACVMQW-HFSMHLIXSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)(N)c1nocc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000580345895 519128354 /nfs/dbraw/zinc/12/83/54/519128354.db2.gz VFTUXNIMPLFWHN-UHFFFAOYSA-N 1 3 374.510 2.712 20 0 FFADHO CCCOCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568632213 519140692 /nfs/dbraw/zinc/14/06/92/519140692.db2.gz LTNHJJYZSPQGKS-WOJBJXKFSA-N 1 3 373.541 2.551 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCC1(c2ccccc2)CCCC1 ZINC000568765745 519204947 /nfs/dbraw/zinc/20/49/47/519204947.db2.gz ZFXFCPFNZOSQIA-WOJBJXKFSA-N 1 3 369.553 2.936 20 0 FFADHO COc1cc2c(c(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)c1)O[C@H](C)C2 ZINC000565940519 519208167 /nfs/dbraw/zinc/20/81/67/519208167.db2.gz VDOJEXNGFAOXHC-WNYOCNMUSA-N 1 3 360.498 2.737 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN(Cc2ccccc2)C1 ZINC000571689834 519221821 /nfs/dbraw/zinc/22/18/21/519221821.db2.gz TYFYQFXVMXJOQB-SBHAEUEKSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN(Cc2ccccc2)C1 ZINC000571689834 519221828 /nfs/dbraw/zinc/22/18/28/519221828.db2.gz TYFYQFXVMXJOQB-SBHAEUEKSA-N 1 3 356.514 2.577 20 0 FFADHO CCSCC[C@@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571700537 519228907 /nfs/dbraw/zinc/22/89/07/519228907.db2.gz UTZQGCQGONESNT-MRXNPFEDSA-N 1 3 355.592 2.831 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000571700994 519229317 /nfs/dbraw/zinc/22/93/17/519229317.db2.gz PXQHFEAYWXOCRP-FXAWDEMLSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cn1 ZINC000571734657 519245432 /nfs/dbraw/zinc/24/54/32/519245432.db2.gz IFPMWAJQLRNIIY-ZFWWWQNUSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cn1 ZINC000571734657 519245437 /nfs/dbraw/zinc/24/54/37/519245437.db2.gz IFPMWAJQLRNIIY-ZFWWWQNUSA-N 1 3 356.308 2.732 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCCC[C@H]2C[NH3+])[C@H]1c1cccs1 ZINC000568856205 519250809 /nfs/dbraw/zinc/25/08/09/519250809.db2.gz VNGDPTHXWOKIEY-VYDXJSESSA-N 1 3 350.532 2.654 20 0 FFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCc1cnc(C2CC2)nc1 ZINC000568856479 519250989 /nfs/dbraw/zinc/25/09/89/519250989.db2.gz FXIAWXFMJSNNEJ-NQIIRXRSSA-N 1 3 350.466 2.742 20 0 FFADHO CSC1(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCN(C)CC1 ZINC000571769655 519267838 /nfs/dbraw/zinc/26/78/38/519267838.db2.gz BMXBMQJVLWAQMF-SJLPKXTDSA-N 1 3 370.607 2.624 20 0 FFADHO CSC1(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CCN(C)CC1 ZINC000571769656 519268228 /nfs/dbraw/zinc/26/82/28/519268228.db2.gz BMXBMQJVLWAQMF-WMZOPIPTSA-N 1 3 370.607 2.624 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)Cc1cccc(Cl)c1 ZINC000580709484 519314955 /nfs/dbraw/zinc/31/49/55/519314955.db2.gz BSWXPPYUSCLZIF-ZCNNSNEGSA-N 1 3 366.933 2.601 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])N2CCCC2)c1 ZINC000566151385 519336148 /nfs/dbraw/zinc/33/61/48/519336148.db2.gz CJRDZGUHGNWJJX-AHRSYUTCSA-N 1 3 359.514 2.856 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583613599 519341407 /nfs/dbraw/zinc/34/14/07/519341407.db2.gz WJGQFLQFSIXEFR-TZIWHRDSSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCN1Cc1ccccc1 ZINC000571951145 519361186 /nfs/dbraw/zinc/36/11/86/519361186.db2.gz HVGCDIXEZJEWCO-PMXSJFBMSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCN1Cc1ccccc1 ZINC000571951145 519361190 /nfs/dbraw/zinc/36/11/90/519361190.db2.gz HVGCDIXEZJEWCO-PMXSJFBMSA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000566190782 519361941 /nfs/dbraw/zinc/36/19/41/519361941.db2.gz JCHOBIQEQPAOCI-IRXDYDNUSA-N 1 3 371.447 2.984 20 0 FFADHO CCN1C[C@@H](C)N(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000572159982 519473236 /nfs/dbraw/zinc/47/32/36/519473236.db2.gz LIGWKGTZRYIDMA-BGYRXZFFSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000566507875 519526157 /nfs/dbraw/zinc/52/61/57/519526157.db2.gz CJOQLFCDOCJMNG-OTWHNJEPSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC000569476618 519571155 /nfs/dbraw/zinc/57/11/55/519571155.db2.gz ZVSZAKHPAGBFFI-PKOBYXMFSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC000569476618 519571163 /nfs/dbraw/zinc/57/11/63/519571163.db2.gz ZVSZAKHPAGBFFI-PKOBYXMFSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2F)C1 ZINC000569476618 519571170 /nfs/dbraw/zinc/57/11/70/519571170.db2.gz ZVSZAKHPAGBFFI-PKOBYXMFSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC000569476616 519571952 /nfs/dbraw/zinc/57/19/52/519571952.db2.gz ZVSZAKHPAGBFFI-IEBWSBKVSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2F)C1 ZINC000569476616 519571954 /nfs/dbraw/zinc/57/19/54/519571954.db2.gz ZVSZAKHPAGBFFI-IEBWSBKVSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2F)C1 ZINC000569476616 519571956 /nfs/dbraw/zinc/57/19/56/519571956.db2.gz ZVSZAKHPAGBFFI-IEBWSBKVSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)NCCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572392152 519591596 /nfs/dbraw/zinc/59/15/96/519591596.db2.gz SZUSSNGUVXYCIU-DLBZAZTESA-N 1 3 357.498 2.962 20 0 FFADHO CC(C)[NH2+]CCCN[C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572392152 519591602 /nfs/dbraw/zinc/59/16/02/519591602.db2.gz SZUSSNGUVXYCIU-DLBZAZTESA-N 1 3 357.498 2.962 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)N1CCc2ccccc2C1 ZINC000591406438 519618775 /nfs/dbraw/zinc/61/87/75/519618775.db2.gz JARVRXVOOPXEDM-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)N1CCc2ccccc2C1 ZINC000591406438 519618781 /nfs/dbraw/zinc/61/87/81/519618781.db2.gz JARVRXVOOPXEDM-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO C[N@H+](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000591408491 519619200 /nfs/dbraw/zinc/61/92/00/519619200.db2.gz WYQAAPJYVBILEB-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 ZINC000591408491 519619204 /nfs/dbraw/zinc/61/92/04/519619204.db2.gz WYQAAPJYVBILEB-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000591579518 519958583 /nfs/dbraw/zinc/95/85/83/519958583.db2.gz VEXBSVZRHLXELW-LEWJYISDSA-N 1 3 372.557 2.930 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000591579518 519958586 /nfs/dbraw/zinc/95/85/86/519958586.db2.gz VEXBSVZRHLXELW-LEWJYISDSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H](C(=O)NCCC[NH+]1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000599967538 519977334 /nfs/dbraw/zinc/97/73/34/519977334.db2.gz WEBRCVICYBPDIC-LJQANCHMSA-N 1 3 357.542 2.932 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602994334 520011917 /nfs/dbraw/zinc/01/19/17/520011917.db2.gz HWNBFBRILYJQIE-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602994334 520011924 /nfs/dbraw/zinc/01/19/24/520011924.db2.gz HWNBFBRILYJQIE-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000608704316 520091086 /nfs/dbraw/zinc/09/10/86/520091086.db2.gz LDFRHPROZBSRBC-QUCCMNQESA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000608704316 520091091 /nfs/dbraw/zinc/09/10/91/520091091.db2.gz LDFRHPROZBSRBC-QUCCMNQESA-N 1 3 358.530 2.695 20 0 FFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000616714968 520101942 /nfs/dbraw/zinc/10/19/42/520101942.db2.gz GSTHSBYSXCZRAA-PWRODBHTSA-N 1 3 355.526 2.999 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000612813572 520163729 /nfs/dbraw/zinc/16/37/29/520163729.db2.gz GREVVQVWYXFLAZ-SFTDATJTSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000612813572 520163732 /nfs/dbraw/zinc/16/37/32/520163732.db2.gz GREVVQVWYXFLAZ-SFTDATJTSA-N 1 3 370.541 2.839 20 0 FFADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000594916763 520215841 /nfs/dbraw/zinc/21/58/41/520215841.db2.gz BUZXGSMDVUESLL-UIAACRFSSA-N 1 3 360.498 2.694 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000592494867 520418875 /nfs/dbraw/zinc/41/88/75/520418875.db2.gz HDYVKOLEPAMLBJ-UXHICEINSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000592494867 520418887 /nfs/dbraw/zinc/41/88/87/520418887.db2.gz HDYVKOLEPAMLBJ-UXHICEINSA-N 1 3 370.541 2.967 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2)CC1 ZINC000617351909 520450101 /nfs/dbraw/zinc/45/01/01/520450101.db2.gz RSFUDOLXSIRPOG-IBGZPJMESA-N 1 3 372.557 2.820 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC000617351909 520450107 /nfs/dbraw/zinc/45/01/07/520450107.db2.gz RSFUDOLXSIRPOG-IBGZPJMESA-N 1 3 372.557 2.820 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000604165693 520465801 /nfs/dbraw/zinc/46/58/01/520465801.db2.gz JFZIVOSLJCECAS-LJQANCHMSA-N 1 3 356.514 2.708 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000604168210 520467220 /nfs/dbraw/zinc/46/72/20/520467220.db2.gz CPAZHMWWXAFCOL-FQEVSTJZSA-N 1 3 370.541 2.954 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604174244 520469049 /nfs/dbraw/zinc/46/90/49/520469049.db2.gz KKNYZLRLNBNNRA-RXVVDRJESA-N 1 3 370.541 2.997 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604174244 520469056 /nfs/dbraw/zinc/46/90/56/520469056.db2.gz KKNYZLRLNBNNRA-RXVVDRJESA-N 1 3 370.541 2.997 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000604201819 520483572 /nfs/dbraw/zinc/48/35/72/520483572.db2.gz KNFOZRVNZNTYOI-LEWJYISDSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000604201819 520483582 /nfs/dbraw/zinc/48/35/82/520483582.db2.gz KNFOZRVNZNTYOI-LEWJYISDSA-N 1 3 370.541 2.997 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000600858455 520501160 /nfs/dbraw/zinc/50/11/60/520501160.db2.gz JPDGNIUAPUMZNK-DFQSSKMNSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000600858455 520501167 /nfs/dbraw/zinc/50/11/67/520501167.db2.gz JPDGNIUAPUMZNK-DFQSSKMNSA-N 1 3 358.530 2.996 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C1CCCCC1 ZINC000617506181 520542467 /nfs/dbraw/zinc/54/24/67/520542467.db2.gz DUCVDFRUWRDSLE-INIZCTEOSA-N 1 3 363.550 2.699 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C1CCCCC1 ZINC000617506181 520542472 /nfs/dbraw/zinc/54/24/72/520542472.db2.gz DUCVDFRUWRDSLE-INIZCTEOSA-N 1 3 363.550 2.699 20 0 FFADHO C[C@H](Cc1cncc2ccccc21)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507637 520545992 /nfs/dbraw/zinc/54/59/92/520545992.db2.gz DHRVRQFWDKHLIJ-MSOLQXFVSA-N 1 3 370.541 2.802 20 0 FFADHO C[C@H](Cc1cncc2ccccc21)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507637 520545999 /nfs/dbraw/zinc/54/59/99/520545999.db2.gz DHRVRQFWDKHLIJ-MSOLQXFVSA-N 1 3 370.541 2.802 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000617507884 520546321 /nfs/dbraw/zinc/54/63/21/520546321.db2.gz NEPXHVPMZJGSIX-AWEZNQCLSA-N 1 3 364.921 2.752 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000617507884 520546330 /nfs/dbraw/zinc/54/63/30/520546330.db2.gz NEPXHVPMZJGSIX-AWEZNQCLSA-N 1 3 364.921 2.752 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000595650524 520623138 /nfs/dbraw/zinc/62/31/38/520623138.db2.gz ATEHISFOFHHMRG-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000595650524 520623146 /nfs/dbraw/zinc/62/31/46/520623146.db2.gz ATEHISFOFHHMRG-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000605371756 520848246 /nfs/dbraw/zinc/84/82/46/520848246.db2.gz BQRSITPITDJETA-HXUWFJFHSA-N 1 3 372.557 2.821 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCOC(C)(C)C)CC2)CC1 ZINC000618333431 521004934 /nfs/dbraw/zinc/00/49/34/521004934.db2.gz AXBCKNKHHIMYBH-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606690261 521138226 /nfs/dbraw/zinc/13/82/26/521138226.db2.gz RDGJIRCDRRZWEP-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606690259 521138913 /nfs/dbraw/zinc/13/89/13/521138913.db2.gz RDGJIRCDRRZWEP-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000606704418 521142928 /nfs/dbraw/zinc/14/29/28/521142928.db2.gz ZUHGAROPNJPNJK-MISYRCLQSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000606704418 521142941 /nfs/dbraw/zinc/14/29/41/521142941.db2.gz ZUHGAROPNJPNJK-MISYRCLQSA-N 1 3 362.562 2.767 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000606703608 521144037 /nfs/dbraw/zinc/14/40/37/521144037.db2.gz XYGXBWRYQXJAMZ-OAQYLSRUSA-N 1 3 372.557 2.677 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000606703608 521144042 /nfs/dbraw/zinc/14/40/42/521144042.db2.gz XYGXBWRYQXJAMZ-OAQYLSRUSA-N 1 3 372.557 2.677 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655705 521194190 /nfs/dbraw/zinc/19/41/90/521194190.db2.gz XKRVVKFCPWZKBP-ZFWWWQNUSA-N 1 3 358.267 2.941 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000618930524 521303810 /nfs/dbraw/zinc/30/38/10/521303810.db2.gz ONXOHEUAWKTUGE-YLJYHZDGSA-N 1 3 358.530 2.805 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)CN3[C@H](C)CC[C@H]3C)c(C)c2)CC1 ZINC000607278714 521311783 /nfs/dbraw/zinc/31/17/83/521311783.db2.gz SHQOUAVLSGEZIG-QZTJIDSGSA-N 1 3 358.530 2.948 20 0 FFADHO Cn1ncc(C(=O)OC(C)(C)C)c1CNC1CCC(C[NH+](C)C)CC1 ZINC000602579568 521421798 /nfs/dbraw/zinc/42/17/98/521421798.db2.gz AOXIVXFKDYUHQJ-UHFFFAOYSA-N 1 3 350.507 2.585 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000615672117 521498545 /nfs/dbraw/zinc/49/85/45/521498545.db2.gz KPFPXAIJHLZHCL-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000615672117 521498558 /nfs/dbraw/zinc/49/85/58/521498558.db2.gz KPFPXAIJHLZHCL-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3C(C)(C)C3(F)F)CC2)CC1 ZINC000619391809 521546787 /nfs/dbraw/zinc/54/67/87/521546787.db2.gz OQAQROBUYOCYEW-INIZCTEOSA-N 1 3 357.489 2.590 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000616080512 521616895 /nfs/dbraw/zinc/61/68/95/521616895.db2.gz VDYWNQKKEJCFKY-GOSISDBHSA-N 1 3 352.567 2.872 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000616080512 521616898 /nfs/dbraw/zinc/61/68/98/521616898.db2.gz VDYWNQKKEJCFKY-GOSISDBHSA-N 1 3 352.567 2.872 20 0 FFADHO COc1cc(NC(=O)CC[N@@H+]2CCCCC[C@@H](N)C2)c(OC)cc1Cl ZINC000631834407 521754402 /nfs/dbraw/zinc/75/44/02/521754402.db2.gz WVQAJVCMZIMKLX-CYBMUJFWSA-N 1 3 369.893 2.889 20 0 FFADHO COc1cc(NC(=O)CC[N@H+]2CCCCC[C@@H](N)C2)c(OC)cc1Cl ZINC000631834407 521754408 /nfs/dbraw/zinc/75/44/08/521754408.db2.gz WVQAJVCMZIMKLX-CYBMUJFWSA-N 1 3 369.893 2.889 20 0 FFADHO O=S1(=O)CCC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000634950836 521829743 /nfs/dbraw/zinc/82/97/43/521829743.db2.gz FCUROXPHDOGYOJ-LJQANCHMSA-N 1 3 350.528 2.729 20 0 FFADHO CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000635004161 521862409 /nfs/dbraw/zinc/86/24/09/521862409.db2.gz HBCUSNKNHXSKNP-XNRPHZJLSA-N 1 3 373.950 2.806 20 0 FFADHO FC(F)(F)c1ccn(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000635014308 521867652 /nfs/dbraw/zinc/86/76/52/521867652.db2.gz PDDDEHMFZSZBTM-WMLDXEAASA-N 1 3 366.387 2.747 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623440749 522025052 /nfs/dbraw/zinc/02/50/52/522025052.db2.gz JGHNYQSPMPHSAT-UHFFFAOYSA-N 1 3 350.466 2.809 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623790251 522286963 /nfs/dbraw/zinc/28/69/63/522286963.db2.gz DHGFDKYGRWTDQP-MSOLQXFVSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623790251 522286971 /nfs/dbraw/zinc/28/69/71/522286971.db2.gz DHGFDKYGRWTDQP-MSOLQXFVSA-N 1 3 373.545 2.638 20 0 FFADHO CC1CC[NH+](CCC[C@@H](NC[C@H]2COCCN2)c2ccc(F)cc2)CC1 ZINC000629537240 522301305 /nfs/dbraw/zinc/30/13/05/522301305.db2.gz NAPBCURBIZKBHX-LEWJYISDSA-N 1 3 363.521 2.957 20 0 FFADHO CC[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1C(F)(F)F ZINC000629568663 522321022 /nfs/dbraw/zinc/32/10/22/522321022.db2.gz SLMRDSGBLKJCSD-LSDHHAIUSA-N 1 3 360.420 2.909 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCCCN1Cc1cccc(Cl)c1)CN1CCCC1 ZINC000629566676 522322010 /nfs/dbraw/zinc/32/20/10/522322010.db2.gz ZVYGJJDGSVWVGR-UXHICEINSA-N 1 3 365.949 2.741 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000635527571 522335069 /nfs/dbraw/zinc/33/50/69/522335069.db2.gz KEKRMDGPQYESSA-BRWVUGGUSA-N 1 3 364.559 2.757 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000632898669 522372567 /nfs/dbraw/zinc/37/25/67/522372567.db2.gz UMEJFDATDIDIBT-SFHVURJKSA-N 1 3 370.497 2.709 20 0 FFADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCOCCN(C)C ZINC000623967571 522395306 /nfs/dbraw/zinc/39/53/06/522395306.db2.gz CAPWMBAANSEZIG-LLVKDONJSA-N 1 3 353.816 2.853 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc4[nH]ccc43)CC2)CC1 ZINC000632978895 522447110 /nfs/dbraw/zinc/44/71/10/522447110.db2.gz JTCGNBPMVIAJRO-UHFFFAOYSA-N 1 3 369.513 2.526 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000620817971 522467129 /nfs/dbraw/zinc/46/71/29/522467129.db2.gz NIDRSJNKSPRBTB-IBGZPJMESA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H](C)C1 ZINC000624118423 522487874 /nfs/dbraw/zinc/48/78/74/522487874.db2.gz HISMZNSVBZMYGI-MNEFBYGVSA-N 1 3 351.922 2.865 20 0 FFADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H](C)C1 ZINC000624118423 522487881 /nfs/dbraw/zinc/48/78/81/522487881.db2.gz HISMZNSVBZMYGI-MNEFBYGVSA-N 1 3 351.922 2.865 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(OCCN(C)C)c1 ZINC000624194508 522536469 /nfs/dbraw/zinc/53/64/69/522536469.db2.gz JQAYJQKIUPYQJT-VMRPVKRXSA-N 1 3 371.481 2.908 20 0 FFADHO CN(CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CCC1 ZINC000629994834 522573358 /nfs/dbraw/zinc/57/33/58/522573358.db2.gz STCKNHYCVLKTPR-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCN1C1CCCC1 ZINC000635877359 522597205 /nfs/dbraw/zinc/59/72/05/522597205.db2.gz ICTAUWWZBZXXMH-PREGVCBESA-N 1 3 373.463 2.925 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000627166230 522690300 /nfs/dbraw/zinc/69/03/00/522690300.db2.gz ARBCDSLKAQXYGW-FRYIKTPZSA-N 1 3 358.530 2.821 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000627201612 522712137 /nfs/dbraw/zinc/71/21/37/522712137.db2.gz IUZBXHDVVBECKZ-XEYPJELSSA-N 1 3 358.530 2.994 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627200710 522713103 /nfs/dbraw/zinc/71/31/03/522713103.db2.gz UALSCWXXTHUZQB-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)C(C[C@H]3CCCO3)C(F)(F)F)cn2)CC1 ZINC000634096989 523184228 /nfs/dbraw/zinc/18/42/28/523184228.db2.gz RGKQQSYYSBXTBD-HUUCEWRRSA-N 1 3 374.407 2.836 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3N)cc2)cc1 ZINC000622044957 523237378 /nfs/dbraw/zinc/23/73/78/523237378.db2.gz YRXAJLYDQJVQBV-SFTDATJTSA-N 1 3 367.493 2.967 20 0 FFADHO CN1CCC(n2cc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cn2)CC1 ZINC000636891094 523279157 /nfs/dbraw/zinc/27/91/57/523279157.db2.gz ZMHSHTGKOVQHMU-UHFFFAOYSA-N 1 3 374.533 2.678 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1ccc(Cl)c(F)c1 ZINC000628050438 523303761 /nfs/dbraw/zinc/30/37/61/523303761.db2.gz DHTSILWBBMWCJI-AWEZNQCLSA-N 1 3 357.901 2.800 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1ccc(Cl)c(F)c1 ZINC000628050438 523303769 /nfs/dbraw/zinc/30/37/69/523303769.db2.gz DHTSILWBBMWCJI-AWEZNQCLSA-N 1 3 357.901 2.800 20 0 FFADHO C[C@](O)(C[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722156 523610843 /nfs/dbraw/zinc/61/08/43/523610843.db2.gz KREDLMQEYPBVEA-FKBYEOEOSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@](O)(C[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722156 523610856 /nfs/dbraw/zinc/61/08/56/523610856.db2.gz KREDLMQEYPBVEA-FKBYEOEOSA-N 1 3 372.553 2.790 20 0 FFADHO C[C@](O)(C[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000634722156 523610868 /nfs/dbraw/zinc/61/08/68/523610868.db2.gz KREDLMQEYPBVEA-FKBYEOEOSA-N 1 3 372.553 2.790 20 0 FFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000631603141 523712007 /nfs/dbraw/zinc/71/20/07/523712007.db2.gz UVGROPYJSUWKDR-IPMKNSEASA-N 1 3 360.498 2.876 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643228168 568026557 /nfs/dbraw/zinc/02/65/57/568026557.db2.gz JGZKTJDSOAPMPW-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643228168 568026558 /nfs/dbraw/zinc/02/65/58/568026558.db2.gz JGZKTJDSOAPMPW-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO C[NH+](C)CCCC1CC[NH+](CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825860630 608377820 /nfs/dbraw/zinc/37/78/20/608377820.db2.gz UOLLDUKBMLHJFN-UHFFFAOYSA-N 1 3 372.517 2.689 20 0 FFADHO CC(C)N(C)Cc1cnc2n1CCN(c1cc(C[NH+](C)C)ccn1)[C@H]2C ZINC001164860912 721011453 /nfs/dbraw/zinc/01/14/53/721011453.db2.gz LUBMREBPOGCRRW-INIZCTEOSA-N 1 3 356.518 2.761 20 0 FFADHO CSc1nnc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1CC(C)C ZINC000166601959 728977360 /nfs/dbraw/zinc/97/73/60/728977360.db2.gz SHXIRAMDKCNXPS-JKSUJKDBSA-N 1 3 351.564 2.805 20 0 FFADHO CSc1nnc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1CC(C)C ZINC000166601959 728977362 /nfs/dbraw/zinc/97/73/62/728977362.db2.gz SHXIRAMDKCNXPS-JKSUJKDBSA-N 1 3 351.564 2.805 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638231965 730016564 /nfs/dbraw/zinc/01/65/64/730016564.db2.gz QHSJJHJTZIXTGW-MRXNPFEDSA-N 1 3 355.404 2.643 20 0 FFADHO COc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1OC(F)F ZINC000638337704 730021602 /nfs/dbraw/zinc/02/16/02/730021602.db2.gz XXJONPDORQAQHB-UHFFFAOYSA-N 1 3 358.429 2.622 20 0 FFADHO O[C@@H]1CCN(CCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@@H]12 ZINC000640097855 730123006 /nfs/dbraw/zinc/12/30/06/730123006.db2.gz BCNQGARWMGELNG-HETMTNPWSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCN(CCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@@H]12 ZINC000640097855 730123007 /nfs/dbraw/zinc/12/30/07/730123007.db2.gz BCNQGARWMGELNG-HETMTNPWSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CC[N@@H+](CCCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@@H]12 ZINC000640097855 730123009 /nfs/dbraw/zinc/12/30/09/730123009.db2.gz BCNQGARWMGELNG-HETMTNPWSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CC[N@H+](CCCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@@H]12 ZINC000640097855 730123011 /nfs/dbraw/zinc/12/30/11/730123011.db2.gz BCNQGARWMGELNG-HETMTNPWSA-N 1 3 350.547 2.627 20 0 FFADHO CCCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645168367 730531599 /nfs/dbraw/zinc/53/15/99/730531599.db2.gz QOZBMJMZLOVVLS-GUDVDZBRSA-N 1 3 352.567 2.870 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(CCc3c(F)cccc3F)CC2)CC1 ZINC000645856947 730612972 /nfs/dbraw/zinc/61/29/72/730612972.db2.gz FXBXRVOONRNGPU-UHFFFAOYSA-N 1 3 351.485 2.857 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368785 730692818 /nfs/dbraw/zinc/69/28/18/730692818.db2.gz NINYOCSDJLRGDX-ILXRZTDVSA-N 1 3 361.477 2.903 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368785 730692819 /nfs/dbraw/zinc/69/28/19/730692819.db2.gz NINYOCSDJLRGDX-ILXRZTDVSA-N 1 3 361.477 2.903 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)CC[C@H]1[NH3+] ZINC000647938335 730775896 /nfs/dbraw/zinc/77/58/96/730775896.db2.gz JZDRQBURTJRCEA-BXUZGUMPSA-N 1 3 372.282 2.976 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)CC(F)(F)F ZINC000865412588 730951808 /nfs/dbraw/zinc/95/18/08/730951808.db2.gz QUMIGOPGHKLYAA-CHWSQXEVSA-N 1 3 365.440 2.906 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccsc1 ZINC000652127505 731168718 /nfs/dbraw/zinc/16/87/18/731168718.db2.gz VPBBTPOMMVHSMD-SCTDSRPQSA-N 1 3 364.559 2.901 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652270940 731179711 /nfs/dbraw/zinc/17/97/11/731179711.db2.gz WKPGQPIOQHALHR-UHFFFAOYSA-N 1 3 350.482 2.692 20 0 FFADHO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346591 731185467 /nfs/dbraw/zinc/18/54/67/731185467.db2.gz AWDPNJCEXJQMJV-CADBVGFASA-N 1 3 353.551 2.536 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@H+](CC)C2CCCCC2)C1(C)C ZINC000653200952 731248032 /nfs/dbraw/zinc/24/80/32/731248032.db2.gz VHSZOYCYFNSSRS-XLIONFOSSA-N 1 3 353.551 2.680 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@@H+](CC)C2CCCCC2)C1(C)C ZINC000653200952 731248033 /nfs/dbraw/zinc/24/80/33/731248033.db2.gz VHSZOYCYFNSSRS-XLIONFOSSA-N 1 3 353.551 2.680 20 0 FFADHO CCc1nc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cs1 ZINC000654757807 731389753 /nfs/dbraw/zinc/38/97/53/731389753.db2.gz BUFKZHIMAZGYPI-UHFFFAOYSA-N 1 3 364.559 2.518 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)N1CC(C)C1 ZINC000654972490 731415703 /nfs/dbraw/zinc/41/57/03/731415703.db2.gz YUWQIGLCBUCIGB-QIIPPGSGSA-N 1 3 367.896 2.928 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)N1CC(C)C1 ZINC000654972490 731415704 /nfs/dbraw/zinc/41/57/04/731415704.db2.gz YUWQIGLCBUCIGB-QIIPPGSGSA-N 1 3 367.896 2.928 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837193 738534520 /nfs/dbraw/zinc/53/45/20/738534520.db2.gz CLYCPIPHCZJQRY-LLVKDONJSA-N 1 3 364.291 2.648 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925834284 738534639 /nfs/dbraw/zinc/53/46/39/738534639.db2.gz MHUOCKBVIZMYEN-CEXWTWQISA-N 1 3 364.555 2.923 20 0 FFADHO C[NH+]1CCC(N2CC[C@H](NCc3cccc(F)c3OC(F)F)C2)CC1 ZINC000657360074 731773088 /nfs/dbraw/zinc/77/30/88/731773088.db2.gz VZUDVZSVZXLOCY-AWEZNQCLSA-N 1 3 357.420 2.685 20 0 FFADHO CN(C)C[C@@H]1C[NH+](Cn2ccc(=S)c3ccccc32)C[C@H]1CN(C)C ZINC000872636552 731804949 /nfs/dbraw/zinc/80/49/49/731804949.db2.gz KJSPOOFZWVXEFG-IAGOWNOFSA-N 1 3 358.555 2.999 20 0 FFADHO COc1cc(Br)c(CN[C@@H](C)C2CC[NH2+]CC2)c(OC)c1 ZINC000873222133 731892528 /nfs/dbraw/zinc/89/25/28/731892528.db2.gz ASWIVAQVOZWCAV-NSHDSACASA-N 1 3 357.292 2.944 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)Cc1ccco1 ZINC000661408066 732200893 /nfs/dbraw/zinc/20/08/93/732200893.db2.gz JNWAACVQJCUHNJ-INIZCTEOSA-N 1 3 350.507 2.616 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)Cc1ccco1 ZINC000661408066 732200895 /nfs/dbraw/zinc/20/08/95/732200895.db2.gz JNWAACVQJCUHNJ-INIZCTEOSA-N 1 3 350.507 2.616 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000661503906 732211873 /nfs/dbraw/zinc/21/18/73/732211873.db2.gz AEJJNLHHAPDTLB-INIZCTEOSA-N 1 3 368.591 2.520 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000661503906 732211876 /nfs/dbraw/zinc/21/18/76/732211876.db2.gz AEJJNLHHAPDTLB-INIZCTEOSA-N 1 3 368.591 2.520 20 0 FFADHO O=C(/C=C\[C@H]1CCC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000876743836 732275566 /nfs/dbraw/zinc/27/55/66/732275566.db2.gz NJQMASITUHWFKR-GNJLHFKMSA-N 1 3 359.539 2.772 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N(CCN(C)C)CC(C)C ZINC000876874034 732290437 /nfs/dbraw/zinc/29/04/37/732290437.db2.gz YIQZMAOLFTYLMQ-UHFFFAOYSA-N 1 3 352.548 2.578 20 0 FFADHO C[C@@H]1CCCN(CCCOc2ccc(S(C)(=O)=O)cc2)[C@@H]1CCC[NH3+] ZINC000662313780 732296142 /nfs/dbraw/zinc/29/61/42/732296142.db2.gz MHBFXUIKXCYPBX-VQIMIIECSA-N 1 3 368.543 2.698 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc(Cl)n1 ZINC000877426885 732360206 /nfs/dbraw/zinc/36/02/06/732360206.db2.gz SIGWPVBPJQNKII-BBRMVZONSA-N 1 3 358.873 2.913 20 0 FFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCN2C(C)(C)C)o1 ZINC000665366879 732699556 /nfs/dbraw/zinc/69/95/56/732699556.db2.gz KCXSCXHGBWKMFX-INIZCTEOSA-N 1 3 350.507 2.534 20 0 FFADHO COc1c(C)ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000665523674 732722149 /nfs/dbraw/zinc/72/21/49/732722149.db2.gz ZWDZOIYLMGXNLF-HNNXBMFYSA-N 1 3 350.507 2.706 20 0 FFADHO COc1c(C)ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000665523674 732722150 /nfs/dbraw/zinc/72/21/50/732722150.db2.gz ZWDZOIYLMGXNLF-HNNXBMFYSA-N 1 3 350.507 2.706 20 0 FFADHO CSc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667285325 732977147 /nfs/dbraw/zinc/97/71/47/732977147.db2.gz UZJWMMBZFWLWOI-ZDUSSCGKSA-N 1 3 356.511 2.941 20 0 FFADHO CSc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667285325 732977148 /nfs/dbraw/zinc/97/71/48/732977148.db2.gz UZJWMMBZFWLWOI-ZDUSSCGKSA-N 1 3 356.511 2.941 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccsc1 ZINC000669279518 733207677 /nfs/dbraw/zinc/20/76/77/733207677.db2.gz SEDCXLOMRNYWEQ-BHYGNILZSA-N 1 3 350.532 2.524 20 0 FFADHO O=C(CC[N@@H+]1CCNCCC12CCC2)Nc1ccccc1Br ZINC000883458758 733388299 /nfs/dbraw/zinc/38/82/99/733388299.db2.gz WLKKHAILXQLQDT-UHFFFAOYSA-N 1 3 366.303 2.996 20 0 FFADHO O=C(CC[N@H+]1CCNCCC12CCC2)Nc1ccccc1Br ZINC000883458758 733388302 /nfs/dbraw/zinc/38/83/02/733388302.db2.gz WLKKHAILXQLQDT-UHFFFAOYSA-N 1 3 366.303 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)c1ccsc1 ZINC000891347809 734417272 /nfs/dbraw/zinc/41/72/72/734417272.db2.gz IXTCBFHKIBPKFW-GVDBMIGSSA-N 1 3 350.532 2.667 20 0 FFADHO CC[N@H+](CCNC(=S)NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000726494966 734431524 /nfs/dbraw/zinc/43/15/24/734431524.db2.gz VPWSWSSXTKCPAC-UHFFFAOYSA-N 1 3 362.587 2.845 20 0 FFADHO CC[N@@H+](CCNC(=S)NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000726494966 734431528 /nfs/dbraw/zinc/43/15/28/734431528.db2.gz VPWSWSSXTKCPAC-UHFFFAOYSA-N 1 3 362.587 2.845 20 0 FFADHO O[C@@H](CN1CCCC1)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000731532275 734683739 /nfs/dbraw/zinc/68/37/39/734683739.db2.gz NHWXGKYYARQANG-RBUKOAKNSA-N 1 3 352.906 2.542 20 0 FFADHO C[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000731942225 734707928 /nfs/dbraw/zinc/70/79/28/734707928.db2.gz KSFNRTAISHVKAS-INIZCTEOSA-N 1 3 350.576 2.559 20 0 FFADHO CC[N@H+](CCC1CCN(C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1)CC1CC1 ZINC000894137667 734807528 /nfs/dbraw/zinc/80/75/28/734807528.db2.gz RSEXDGIRMUAGHJ-DLBZAZTESA-N 1 3 358.473 2.875 20 0 FFADHO CC[N@@H+](CCC1CCN(C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1)CC1CC1 ZINC000894137667 734807532 /nfs/dbraw/zinc/80/75/32/734807532.db2.gz RSEXDGIRMUAGHJ-DLBZAZTESA-N 1 3 358.473 2.875 20 0 FFADHO OC1(C[NH2+]Cc2cn3ccnc3s2)CCN(Cc2ccccc2)CC1 ZINC000894924759 734937599 /nfs/dbraw/zinc/93/75/99/734937599.db2.gz ALCHXLGWACXMSA-UHFFFAOYSA-N 1 3 356.495 2.513 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(CC2CCCCC2)CC1 ZINC000742910225 735262619 /nfs/dbraw/zinc/26/26/19/735262619.db2.gz CCXAIVSUKITJOB-GOSISDBHSA-N 1 3 352.592 2.543 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(CC2CCCCC2)CC1 ZINC000742910225 735262623 /nfs/dbraw/zinc/26/26/23/735262623.db2.gz CCXAIVSUKITJOB-GOSISDBHSA-N 1 3 352.592 2.543 20 0 FFADHO CCN1CCCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000748592894 735657238 /nfs/dbraw/zinc/65/72/38/735657238.db2.gz UEXNPBXQKLXZFZ-UHFFFAOYSA-N 1 3 360.571 2.553 20 0 FFADHO [NH3+]CCCC[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1F ZINC000902389655 735941300 /nfs/dbraw/zinc/94/13/00/735941300.db2.gz ZAQJDJDJJXKOBQ-JTDSTZFVSA-N 1 3 353.457 2.588 20 0 FFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C3(O)CCOCC3)CC2)CC1 ZINC000903349622 736078912 /nfs/dbraw/zinc/07/89/12/736078912.db2.gz JKYYUZOJSOCGNV-IEBWSBKVSA-N 1 3 350.547 2.941 20 0 FFADHO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000903722540 736159521 /nfs/dbraw/zinc/15/95/21/736159521.db2.gz MFRXORIICRJSPA-JUKXBJQTSA-N 1 3 371.308 2.652 20 0 FFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903761658 736163638 /nfs/dbraw/zinc/16/36/38/736163638.db2.gz YWUQETBRRRPBKD-KLHDSHLOSA-N 1 3 350.425 2.705 20 0 FFADHO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775389246 738089740 /nfs/dbraw/zinc/08/97/40/738089740.db2.gz VOMDOGJRNODHCV-JXFKEZNVSA-N 1 3 350.503 2.729 20 0 FFADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000923316900 738270043 /nfs/dbraw/zinc/27/00/43/738270043.db2.gz OPDHVZQDJPTLEH-ZLIFDBKOSA-N 1 3 359.297 2.825 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931910253 739351156 /nfs/dbraw/zinc/35/11/56/739351156.db2.gz CHOAYOZHTSGFAE-OAHLLOKOSA-N 1 3 351.432 2.769 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931910253 739351163 /nfs/dbraw/zinc/35/11/63/739351163.db2.gz CHOAYOZHTSGFAE-OAHLLOKOSA-N 1 3 351.432 2.769 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)COCC2CCCCC2)CC1 ZINC000932426280 739452064 /nfs/dbraw/zinc/45/20/64/739452064.db2.gz YWLYOIOILDWKFN-KRWDZBQOSA-N 1 3 353.551 2.550 20 0 FFADHO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000798940289 740375431 /nfs/dbraw/zinc/37/54/31/740375431.db2.gz DZILJHNHCASVIM-VQIMIIECSA-N 1 3 350.503 2.729 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000808718754 741255312 /nfs/dbraw/zinc/25/53/12/741255312.db2.gz BBFOOHUSFPUJSE-NJAFHUGGSA-N 1 3 367.584 2.881 20 0 FFADHO CN(CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccco1 ZINC000810728487 741445199 /nfs/dbraw/zinc/44/51/99/741445199.db2.gz RRQHIQCUFFBHPH-IBGZPJMESA-N 1 3 353.482 2.772 20 0 FFADHO CN(CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)Cc1ccco1 ZINC000810728487 741445200 /nfs/dbraw/zinc/44/52/00/741445200.db2.gz RRQHIQCUFFBHPH-IBGZPJMESA-N 1 3 353.482 2.772 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC000998796714 742046141 /nfs/dbraw/zinc/04/61/41/742046141.db2.gz RCBXTOOALRYDIG-TWRYWWQQSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC000998796714 742046147 /nfs/dbraw/zinc/04/61/47/742046147.db2.gz RCBXTOOALRYDIG-TWRYWWQQSA-N 1 3 367.896 2.898 20 0 FFADHO Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000819175503 742348371 /nfs/dbraw/zinc/34/83/71/742348371.db2.gz YYYNJHAMSMQDQB-XUVXKRRUSA-N 1 3 350.478 2.525 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001034941287 742937224 /nfs/dbraw/zinc/93/72/24/742937224.db2.gz PDWPNVDJYPLDDN-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cccc(Cl)n2)CC[N@H+]1C ZINC001034941287 742937228 /nfs/dbraw/zinc/93/72/28/742937228.db2.gz PDWPNVDJYPLDDN-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H](NCCCC[NH+]1CCN(C)CC1)c1nc(Br)cs1 ZINC000834508028 745850978 /nfs/dbraw/zinc/85/09/78/745850978.db2.gz GQQKPMKHKYAFEI-GFCCVEGCSA-N 1 3 361.353 2.584 20 0 FFADHO Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc3c(c2)CNCCO3)cc(Cl)n1 ZINC000841852260 747476571 /nfs/dbraw/zinc/47/65/71/747476571.db2.gz INEGRUYIFFWFOG-HNNXBMFYSA-N 1 3 360.845 2.554 20 0 FFADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846781108 748543327 /nfs/dbraw/zinc/54/33/27/748543327.db2.gz UBCWUPWJWGERTD-IAGOWNOFSA-N 1 3 355.320 2.769 20 0 FFADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846781108 748543333 /nfs/dbraw/zinc/54/33/33/748543333.db2.gz UBCWUPWJWGERTD-IAGOWNOFSA-N 1 3 355.320 2.769 20 0 FFADHO Cn1c(Cl)ncc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000848527355 748949915 /nfs/dbraw/zinc/94/99/15/748949915.db2.gz AERQXWMKRGKJCQ-UHFFFAOYSA-N 1 3 361.921 2.766 20 0 FFADHO Cc1ncc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)s1 ZINC000849105635 749051908 /nfs/dbraw/zinc/05/19/08/749051908.db2.gz YXJQHFZSYICAHG-UHFFFAOYSA-N 1 3 357.527 2.773 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000849275116 749083124 /nfs/dbraw/zinc/08/31/24/749083124.db2.gz HUIPBTCKVKDURD-CCLIWJKGSA-N 1 3 366.619 2.691 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000849275116 749083131 /nfs/dbraw/zinc/08/31/31/749083131.db2.gz HUIPBTCKVKDURD-CCLIWJKGSA-N 1 3 366.619 2.691 20 0 FFADHO COc1ccc(Cl)cc1NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849276840 749084039 /nfs/dbraw/zinc/08/40/39/749084039.db2.gz RDFPAMJZTFOWMU-ZDUSSCGKSA-N 1 3 372.966 2.907 20 0 FFADHO COc1ccc(Cl)cc1NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849276840 749084054 /nfs/dbraw/zinc/08/40/54/749084054.db2.gz RDFPAMJZTFOWMU-ZDUSSCGKSA-N 1 3 372.966 2.907 20 0 FFADHO FC1(F)[C@@H]2CCCO[C@@]21CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000854229863 750265855 /nfs/dbraw/zinc/26/58/55/750265855.db2.gz YNKJQRGYAZYCCA-HPBDAGMYSA-N 1 3 350.409 2.646 20 0 FFADHO FC1(F)[C@@H]2CCCO[C@@]21CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000854229864 750265906 /nfs/dbraw/zinc/26/59/06/750265906.db2.gz YNKJQRGYAZYCCA-RANZSIQMSA-N 1 3 350.409 2.646 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895694474 970846931 /nfs/dbraw/zinc/84/69/31/970846931.db2.gz VBVNFLVBOIFBQX-MDNKFWRPSA-N 1 3 362.489 2.978 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2F)C1 ZINC001104809355 970872440 /nfs/dbraw/zinc/87/24/40/970872440.db2.gz GFJMPGRYOFULGQ-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](OC)C2CCCC2)C1 ZINC001104812616 970889864 /nfs/dbraw/zinc/88/98/64/970889864.db2.gz SFNNQYDMVBVOAJ-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO Cc1nc(C)c(CNCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)o1 ZINC001104924976 971165626 /nfs/dbraw/zinc/16/56/26/971165626.db2.gz VSGNCMNXJBFUBJ-CRAIPNDOSA-N 1 3 364.534 2.598 20 0 FFADHO Cc1nsc(C)c1C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064466 971437833 /nfs/dbraw/zinc/43/78/33/971437833.db2.gz PXIVAJONDQGUDP-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(c4ccco4)CC3)CC2)CC1 ZINC000660573603 972257509 /nfs/dbraw/zinc/25/75/09/972257509.db2.gz IZTWHSQNSZYJGS-UHFFFAOYSA-N 1 3 374.529 2.727 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)Cc1ccco1 ZINC000654735354 958873041 /nfs/dbraw/zinc/87/30/41/958873041.db2.gz RYYYDUCATKEVHA-RBUKOAKNSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)Cc1ccco1 ZINC000654735354 958873055 /nfs/dbraw/zinc/87/30/55/958873055.db2.gz RYYYDUCATKEVHA-RBUKOAKNSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)Cc1ccco1 ZINC000654735355 958873297 /nfs/dbraw/zinc/87/32/97/958873297.db2.gz RYYYDUCATKEVHA-RTBURBONSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)Cc1ccco1 ZINC000654735355 958873314 /nfs/dbraw/zinc/87/33/14/958873314.db2.gz RYYYDUCATKEVHA-RTBURBONSA-N 1 3 362.518 2.760 20 0 FFADHO CCN(CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)CCC(F)(F)F ZINC000683150426 959065736 /nfs/dbraw/zinc/06/57/36/959065736.db2.gz OOKSMKPIVJWLFT-UHFFFAOYSA-N 1 3 370.379 2.663 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000660659314 972453436 /nfs/dbraw/zinc/45/34/36/972453436.db2.gz OBFHHMXPJFJTDH-WMZOPIPTSA-N 1 3 372.431 2.863 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000660659314 972453441 /nfs/dbraw/zinc/45/34/41/972453441.db2.gz OBFHHMXPJFJTDH-WMZOPIPTSA-N 1 3 372.431 2.863 20 0 FFADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Nc2ccncc2)cc1 ZINC000655350753 959795274 /nfs/dbraw/zinc/79/52/74/959795274.db2.gz JBHIXGDHMRZDSH-VQTJNVASSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Nc2ccncc2)cc1 ZINC000655350753 959795282 /nfs/dbraw/zinc/79/52/82/959795282.db2.gz JBHIXGDHMRZDSH-VQTJNVASSA-N 1 3 350.466 2.994 20 0 FFADHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3F)(C1)CCC2 ZINC001279213152 960068201 /nfs/dbraw/zinc/06/82/01/960068201.db2.gz RQHAOJIUKVVGBM-MOPGFXCFSA-N 1 3 351.441 2.578 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000683421006 960515784 /nfs/dbraw/zinc/51/57/84/960515784.db2.gz NKYIROBHRPVIJF-NHCUHLMSSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000683421006 960515801 /nfs/dbraw/zinc/51/58/01/960515801.db2.gz NKYIROBHRPVIJF-NHCUHLMSSA-N 1 3 370.541 2.919 20 0 FFADHO COc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1O ZINC000397492486 960712536 /nfs/dbraw/zinc/71/25/36/960712536.db2.gz AUDCIVNLUOJDGW-UHFFFAOYSA-N 1 3 356.466 2.518 20 0 FFADHO OC1CCN(Cc2ccccc2NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655742505 961219590 /nfs/dbraw/zinc/21/95/90/961219590.db2.gz KIFQZXKCRPXOET-OAQYLSRUSA-N 1 3 373.541 2.699 20 0 FFADHO CCN1CCN(c2ccccc2NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655748581 961235907 /nfs/dbraw/zinc/23/59/07/961235907.db2.gz CWPCBUSFVIEQPV-HXUWFJFHSA-N 1 3 372.557 2.884 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802892 961361458 /nfs/dbraw/zinc/36/14/58/961361458.db2.gz QGFRFDAIRZANJS-OTVISBKVSA-N 1 3 359.558 2.984 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424520 1013334152 /nfs/dbraw/zinc/33/41/52/1013334152.db2.gz UIEWQGJKOBVMKF-CGXNFDGLSA-N 1 3 353.510 2.558 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cs1 ZINC001104292342 962353825 /nfs/dbraw/zinc/35/38/25/962353825.db2.gz VVXBOEHUXPJQBK-NIKGAXFTSA-N 1 3 363.571 2.971 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000649360447 1013373228 /nfs/dbraw/zinc/37/32/28/1013373228.db2.gz XERMLTAKHZTWJU-RXVVDRJESA-N 1 3 359.489 2.640 20 0 FFADHO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000649414369 1013409463 /nfs/dbraw/zinc/40/94/63/1013409463.db2.gz VHMXMZBXSCBNNV-URVUXULASA-N 1 3 353.510 2.648 20 0 FFADHO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000649414369 1013409468 /nfs/dbraw/zinc/40/94/68/1013409468.db2.gz VHMXMZBXSCBNNV-URVUXULASA-N 1 3 353.510 2.648 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[NH2+]CCC12CCC2 ZINC000891350917 963379205 /nfs/dbraw/zinc/37/92/05/963379205.db2.gz XVNZEKUUCLUDPT-LJQANCHMSA-N 1 3 356.514 2.751 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3SCC#N)CC2)CC1 ZINC000050800910 963525232 /nfs/dbraw/zinc/52/52/32/963525232.db2.gz JCFXYRBYDUDVHQ-UHFFFAOYSA-N 1 3 372.538 2.591 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnc(Cl)c2)C1)N(C)C ZINC001104346483 963694152 /nfs/dbraw/zinc/69/41/52/963694152.db2.gz CWGAHYKGNANILX-DJIMGWMZSA-N 1 3 366.937 2.649 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001104348847 963741134 /nfs/dbraw/zinc/74/11/34/963741134.db2.gz XWTXPEASTYIDEM-ZTFGCOKTSA-N 1 3 351.560 2.971 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)C12CCCC2 ZINC000873243482 1013442393 /nfs/dbraw/zinc/44/23/93/1013442393.db2.gz LVXQHZRFCSGFHD-OALUTQOASA-N 1 3 355.486 2.553 20 0 FFADHO Nc1ccnc(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000891558962 964486457 /nfs/dbraw/zinc/48/64/57/964486457.db2.gz BVTKHLHQDXAPAP-IBGZPJMESA-N 1 3 353.470 2.690 20 0 FFADHO Cc1ncsc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001087167837 964798619 /nfs/dbraw/zinc/79/86/19/964798619.db2.gz DRZPTHDFIXIBHC-MXASKKJJSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncsc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001087167837 964798630 /nfs/dbraw/zinc/79/86/30/964798630.db2.gz DRZPTHDFIXIBHC-MXASKKJJSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccns2)CC[N@@H+]1C ZINC001087168537 964809284 /nfs/dbraw/zinc/80/92/84/964809284.db2.gz SHNXWAZONYLGMV-MXSMSXNCSA-N 1 3 364.559 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccns2)CC[N@H+]1C ZINC001087168537 964809293 /nfs/dbraw/zinc/80/92/93/964809293.db2.gz SHNXWAZONYLGMV-MXSMSXNCSA-N 1 3 364.559 2.590 20 0 FFADHO CCN(C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)[C@@H]1CCN(C)C1 ZINC000664692524 964966750 /nfs/dbraw/zinc/96/67/50/964966750.db2.gz NBDLHZNEOWUULO-UXHICEINSA-N 1 3 360.546 2.879 20 0 FFADHO CCN(C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[C@@H]1CCN(C)C1 ZINC000664692524 964966758 /nfs/dbraw/zinc/96/67/58/964966758.db2.gz NBDLHZNEOWUULO-UXHICEINSA-N 1 3 360.546 2.879 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(OC(C)=O)CC2)CC1 ZINC000093453916 965460308 /nfs/dbraw/zinc/46/03/08/965460308.db2.gz QTNKMDJKDTXOBZ-UHFFFAOYSA-N 1 3 359.514 2.746 20 0 FFADHO COc1ccc([C@@H]2CCN(C(C)C)C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001087474453 965536954 /nfs/dbraw/zinc/53/69/54/965536954.db2.gz GFMFVDPUCBWBLF-DBOLQNLKSA-N 1 3 373.541 2.718 20 0 FFADHO COc1ccc([C@@H]2CCN(C(C)C)C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001087474453 965536960 /nfs/dbraw/zinc/53/69/60/965536960.db2.gz GFMFVDPUCBWBLF-DBOLQNLKSA-N 1 3 373.541 2.718 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000983713958 965816513 /nfs/dbraw/zinc/81/65/13/965816513.db2.gz OIXGBCRFOUSFNM-XMDUPGNXSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC000983713958 965816524 /nfs/dbraw/zinc/81/65/24/965816524.db2.gz OIXGBCRFOUSFNM-XMDUPGNXSA-N 1 3 365.468 2.680 20 0 FFADHO O=C(c1ccco1)N1C[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167989071 966127811 /nfs/dbraw/zinc/12/78/11/966127811.db2.gz STCBMJMDLODQNL-BNCGXOKJSA-N 1 3 369.509 2.689 20 0 FFADHO COc1ccc(C[NH+]2CCC(CNCc3cc4n(n3)CCC4)CC2)cc1 ZINC000657335573 966209809 /nfs/dbraw/zinc/20/98/09/966209809.db2.gz HPSVSGVDCFJPRB-UHFFFAOYSA-N 1 3 354.498 2.840 20 0 FFADHO C[C@H]1CN(CC[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC001176262735 1013672800 /nfs/dbraw/zinc/67/28/00/1013672800.db2.gz NMRJELVHBBGWPE-MPJJRAAHSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@H]1CN(CC[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC001176262735 1013672801 /nfs/dbraw/zinc/67/28/01/1013672801.db2.gz NMRJELVHBBGWPE-MPJJRAAHSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@H]1CN(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001176262735 1013672802 /nfs/dbraw/zinc/67/28/02/1013672802.db2.gz NMRJELVHBBGWPE-MPJJRAAHSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@H]1CN(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001176262735 1013672805 /nfs/dbraw/zinc/67/28/05/1013672805.db2.gz NMRJELVHBBGWPE-MPJJRAAHSA-N 1 3 357.542 2.550 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3cccs3)cc2)C1 ZINC000657594606 966939043 /nfs/dbraw/zinc/93/90/43/966939043.db2.gz JALTXVOZXKSVBF-GOSISDBHSA-N 1 3 368.506 2.995 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3cccs3)cc2)C1 ZINC000657594606 966939050 /nfs/dbraw/zinc/93/90/50/966939050.db2.gz JALTXVOZXKSVBF-GOSISDBHSA-N 1 3 368.506 2.995 20 0 FFADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1OC ZINC000657595063 966940905 /nfs/dbraw/zinc/94/09/05/966940905.db2.gz WRAWMJZUGLDLIB-IBGZPJMESA-N 1 3 356.466 2.560 20 0 FFADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OC ZINC000657595063 966940910 /nfs/dbraw/zinc/94/09/10/966940910.db2.gz WRAWMJZUGLDLIB-IBGZPJMESA-N 1 3 356.466 2.560 20 0 FFADHO c1c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)[nH]nc1-c1cccnc1 ZINC000657613627 966963110 /nfs/dbraw/zinc/96/31/10/966963110.db2.gz OMQJKGDPXLZQII-UHFFFAOYSA-N 1 3 362.481 2.869 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001211557624 966998775 /nfs/dbraw/zinc/99/87/75/966998775.db2.gz YLRWLULVPUZOEX-GVDBMIGSSA-N 1 3 369.431 2.617 20 0 FFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cncs2)CC1 ZINC001087230593 967111900 /nfs/dbraw/zinc/11/19/00/967111900.db2.gz CDSBUHKCWRUTFP-SJORKVTESA-N 1 3 364.559 2.592 20 0 FFADHO c1ccc(COc2ccccc2CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262126327 967608798 /nfs/dbraw/zinc/60/87/98/967608798.db2.gz MZYATARXZSDQAR-NRFANRHFSA-N 1 3 351.494 2.745 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252940 967855198 /nfs/dbraw/zinc/85/51/98/967855198.db2.gz AVMZYXWQQLZIJI-WSXQUGQNSA-N 1 3 360.452 2.923 20 0 FFADHO c1cc2n(n1)CCC[C@H]2[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000657840161 968014470 /nfs/dbraw/zinc/01/44/70/968014470.db2.gz BGUAIRJHXCJVPD-OAQYLSRUSA-N 1 3 367.541 2.906 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C/C=C/Cl)C2)CCC1 ZINC001211616174 968028980 /nfs/dbraw/zinc/02/89/80/968028980.db2.gz ZQVKHYWYKUNANK-WJRNRCBFSA-N 1 3 361.917 2.807 20 0 FFADHO O[C@@H](Cc1cccc(Cl)c1)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176879716 1013792218 /nfs/dbraw/zinc/79/22/18/1013792218.db2.gz NRTMYZGFRIUJMS-IBGZPJMESA-N 1 3 366.933 2.556 20 0 FFADHO c1ccc(N2CCC([NH2+]CC3CCN(Cc4ccncc4)CC3)CC2)nc1 ZINC000658168316 968565419 /nfs/dbraw/zinc/56/54/19/968565419.db2.gz VXMPXLLBWYQVAY-UHFFFAOYSA-N 1 3 365.525 2.947 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031903 969645662 /nfs/dbraw/zinc/64/56/62/969645662.db2.gz PHDVYQBQHWWHJL-MDZRGWNJSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031903 969645668 /nfs/dbraw/zinc/64/56/68/969645668.db2.gz PHDVYQBQHWWHJL-MDZRGWNJSA-N 1 3 360.502 2.589 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@H]1NCc2ccccc21 ZINC000659307836 969813285 /nfs/dbraw/zinc/81/32/85/969813285.db2.gz PJBDVZDSHHPWHS-HXUWFJFHSA-N 1 3 355.457 2.951 20 0 FFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000874831982 1013910630 /nfs/dbraw/zinc/91/06/30/1013910630.db2.gz BPZRFQADYBKERJ-UXHICEINSA-N 1 3 355.526 2.984 20 0 FFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000874831984 1013910758 /nfs/dbraw/zinc/91/07/58/1013910758.db2.gz BPZRFQADYBKERJ-WOJBJXKFSA-N 1 3 355.526 2.984 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1 ZINC000874845880 1013916248 /nfs/dbraw/zinc/91/62/48/1013916248.db2.gz WSKFMSAWWVQWKL-WOJBJXKFSA-N 1 3 359.514 2.716 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1 ZINC000874845870 1013916507 /nfs/dbraw/zinc/91/65/07/1013916507.db2.gz WSKFMSAWWVQWKL-PMACEKPBSA-N 1 3 359.514 2.716 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659426827 969917524 /nfs/dbraw/zinc/91/75/24/969917524.db2.gz FEVKRHFZRILLPU-LEWJYISDSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNC/C(Cl)=C\Cl)C1 ZINC001104676583 970085316 /nfs/dbraw/zinc/08/53/16/970085316.db2.gz QMEGBAXBFHMXKT-PNZVTJQISA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNC/C(Cl)=C\Cl)C1 ZINC001104676583 970085326 /nfs/dbraw/zinc/08/53/26/970085326.db2.gz QMEGBAXBFHMXKT-PNZVTJQISA-N 1 3 362.345 2.864 20 0 FFADHO CN(C(=O)NC[C@H]1CCN1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665363130 970365869 /nfs/dbraw/zinc/36/58/69/970365869.db2.gz SZEGRWFIKQEQKU-RTBURBONSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)NC[C@H]1CCN1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665363130 970365874 /nfs/dbraw/zinc/36/58/74/970365874.db2.gz SZEGRWFIKQEQKU-RTBURBONSA-N 1 3 358.530 2.775 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665364549 970384238 /nfs/dbraw/zinc/38/42/38/970384238.db2.gz RQPHUQDXLJKMMX-RBUKOAKNSA-N 1 3 358.530 2.775 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665364549 970384243 /nfs/dbraw/zinc/38/42/43/970384243.db2.gz RQPHUQDXLJKMMX-RBUKOAKNSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000892941482 970394623 /nfs/dbraw/zinc/39/46/23/970394623.db2.gz AZLXMSVBNIJHJW-BPIHKTFHSA-N 1 3 360.521 2.853 20 0 FFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000892941482 970394635 /nfs/dbraw/zinc/39/46/35/970394635.db2.gz AZLXMSVBNIJHJW-BPIHKTFHSA-N 1 3 360.521 2.853 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001088106064 972820063 /nfs/dbraw/zinc/82/00/63/972820063.db2.gz MBGRTOTWJDEZQE-WLBJECFPSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001088106064 972820071 /nfs/dbraw/zinc/82/00/71/972820071.db2.gz MBGRTOTWJDEZQE-WLBJECFPSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106169 972822889 /nfs/dbraw/zinc/82/28/89/972822889.db2.gz OXKJHLYLSCOXDR-NRSPTQNISA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cc1 ZINC001088106169 972822898 /nfs/dbraw/zinc/82/28/98/972822898.db2.gz OXKJHLYLSCOXDR-NRSPTQNISA-N 1 3 355.526 2.617 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001088129316 972974082 /nfs/dbraw/zinc/97/40/82/972974082.db2.gz HSKHEPIKQZCEGD-SVFBPWRDSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001088129316 972974092 /nfs/dbraw/zinc/97/40/92/972974092.db2.gz HSKHEPIKQZCEGD-SVFBPWRDSA-N 1 3 370.541 2.625 20 0 FFADHO CNC(=O)NC1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056265 973107315 /nfs/dbraw/zinc/10/73/15/973107315.db2.gz FAFBLBNLGDZGAJ-IRXDYDNUSA-N 1 3 358.530 2.821 20 0 FFADHO CNC(=O)NC1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168056264 973107427 /nfs/dbraw/zinc/10/74/27/973107427.db2.gz FAFBLBNLGDZGAJ-IAGOWNOFSA-N 1 3 358.530 2.821 20 0 FFADHO CC1(C)CCC[N@@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000840830571 973403825 /nfs/dbraw/zinc/40/38/25/973403825.db2.gz HDQFXUCJMFXKRR-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO CC1(C)CCC[N@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000840830571 973403827 /nfs/dbraw/zinc/40/38/27/973403827.db2.gz HDQFXUCJMFXKRR-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001151994009 1032082242 /nfs/dbraw/zinc/08/22/42/1032082242.db2.gz ZSXXQZNBRGSJQD-COPCDDAFSA-N 1 3 369.553 2.882 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001151994009 1032082259 /nfs/dbraw/zinc/08/22/59/1032082259.db2.gz ZSXXQZNBRGSJQD-COPCDDAFSA-N 1 3 369.553 2.882 20 0 FFADHO CN(C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[C@H]1CCN(C2CC2)C1 ZINC000876071984 1014122572 /nfs/dbraw/zinc/12/25/72/1014122572.db2.gz RWGYNARARGAMFC-FQEVSTJZSA-N 1 3 370.541 2.528 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000665639392 973787032 /nfs/dbraw/zinc/78/70/32/973787032.db2.gz XADGEQOZDDRSKM-INIZCTEOSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000665639392 973787040 /nfs/dbraw/zinc/78/70/40/973787040.db2.gz XADGEQOZDDRSKM-INIZCTEOSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000665758182 974086487 /nfs/dbraw/zinc/08/64/87/974086487.db2.gz AIOOCMAFZWQMRO-HOTGVXAUSA-N 1 3 364.509 2.726 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000665758182 974086499 /nfs/dbraw/zinc/08/64/99/974086499.db2.gz AIOOCMAFZWQMRO-HOTGVXAUSA-N 1 3 364.509 2.726 20 0 FFADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758498 974177196 /nfs/dbraw/zinc/17/71/96/974177196.db2.gz VIQUDMORQVUXMF-INIZCTEOSA-N 1 3 352.482 2.980 20 0 FFADHO [NH3+]C1(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCCC1 ZINC000662865604 974401381 /nfs/dbraw/zinc/40/13/81/974401381.db2.gz XUWCQQVYPBLTNJ-GOSISDBHSA-N 1 3 369.431 2.829 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001027419429 974407149 /nfs/dbraw/zinc/40/71/49/974407149.db2.gz PPQUXMSLINPZMK-SLFFLAALSA-N 1 3 361.505 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001027419429 974407153 /nfs/dbraw/zinc/40/71/53/974407153.db2.gz PPQUXMSLINPZMK-SLFFLAALSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661520125 974431715 /nfs/dbraw/zinc/43/17/15/974431715.db2.gz QGTSNIXGSQLZQZ-DQLDELGASA-N 1 3 351.494 2.724 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000652290172 974775547 /nfs/dbraw/zinc/77/55/47/974775547.db2.gz RMRKNUNBBKLUHH-FQEVSTJZSA-N 1 3 370.497 2.517 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000661896253 974913890 /nfs/dbraw/zinc/91/38/90/974913890.db2.gz FVMCAOKMEMLFAE-SFHVURJKSA-N 1 3 364.534 2.863 20 0 FFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652347246 974954086 /nfs/dbraw/zinc/95/40/86/974954086.db2.gz WVACUACZEAUEER-FIRPJDEBSA-N 1 3 373.541 2.645 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297171 975412407 /nfs/dbraw/zinc/41/24/07/975412407.db2.gz OETFMQBWOIXQGB-GHTZIAJQSA-N 1 3 357.542 2.754 20 0 FFADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc2c1CNC2 ZINC000662454396 975566934 /nfs/dbraw/zinc/56/69/34/975566934.db2.gz AJQRYJPONMHOCN-UHFFFAOYSA-N 1 3 365.477 2.694 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CCc2ccccc2F)CC[N@@H+]1C ZINC001027892704 975730239 /nfs/dbraw/zinc/73/02/39/975730239.db2.gz CCVDSLXMZZMBFC-WSTZPKSXSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CCc2ccccc2F)CC[N@H+]1C ZINC001027892704 975730242 /nfs/dbraw/zinc/73/02/42/975730242.db2.gz CCVDSLXMZZMBFC-WSTZPKSXSA-N 1 3 361.505 2.679 20 0 FFADHO COc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1F ZINC000667057610 975784657 /nfs/dbraw/zinc/78/46/57/975784657.db2.gz FLTFKUHXUQPJSX-UHFFFAOYSA-N 1 3 357.473 2.917 20 0 FFADHO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc2c1CNC2 ZINC000662708535 975843884 /nfs/dbraw/zinc/84/38/84/975843884.db2.gz UBVSYUUQTBWUQF-UHFFFAOYSA-N 1 3 365.477 2.746 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000663443232 975904085 /nfs/dbraw/zinc/90/40/85/975904085.db2.gz CUWXIFYILLDKPS-SFTDATJTSA-N 1 3 372.557 2.581 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000663443232 975904096 /nfs/dbraw/zinc/90/40/96/975904096.db2.gz CUWXIFYILLDKPS-SFTDATJTSA-N 1 3 372.557 2.581 20 0 FFADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000876896794 1014412160 /nfs/dbraw/zinc/41/21/60/1014412160.db2.gz MZCSFQWMNYUWAS-GXOYNTHASA-N 1 3 356.514 2.567 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2OCC(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000894076257 977655733 /nfs/dbraw/zinc/65/57/33/977655733.db2.gz MANHQQUBXMMNFG-AEFFLSMTSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000894076257 977655737 /nfs/dbraw/zinc/65/57/37/977655737.db2.gz MANHQQUBXMMNFG-AEFFLSMTSA-N 1 3 367.484 2.788 20 0 FFADHO CC(C)Oc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001268541937 977952757 /nfs/dbraw/zinc/95/27/57/977952757.db2.gz KLCIGSUQJHBHFI-HOQHSMRBSA-N 1 3 359.514 2.576 20 0 FFADHO CC(C)Oc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001268541937 977952763 /nfs/dbraw/zinc/95/27/63/977952763.db2.gz KLCIGSUQJHBHFI-HOQHSMRBSA-N 1 3 359.514 2.576 20 0 FFADHO c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CN4CCC[C@H]4CO3)CCN2C2CC2)cc1 ZINC000877022251 1014452578 /nfs/dbraw/zinc/45/25/78/1014452578.db2.gz RPCLBYCGWZKUOM-GBAJDQEWSA-N 1 3 355.526 2.807 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C[C@@H]21 ZINC000655550397 978360870 /nfs/dbraw/zinc/36/08/70/978360870.db2.gz LOTLIBKFPUGVRD-AABGKKOBSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)C[C@@H]21 ZINC000655550397 978360882 /nfs/dbraw/zinc/36/08/82/978360882.db2.gz LOTLIBKFPUGVRD-AABGKKOBSA-N 1 3 356.514 2.559 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899144 978432975 /nfs/dbraw/zinc/43/29/75/978432975.db2.gz AUBRCLDNGCUQJS-LPHOPBHVSA-N 1 3 355.482 2.527 20 0 FFADHO CCCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001076568078 979665744 /nfs/dbraw/zinc/66/57/44/979665744.db2.gz TYNGWFLLRQPFCZ-PWRODBHTSA-N 1 3 355.526 2.624 20 0 FFADHO CCCc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001076568078 979665748 /nfs/dbraw/zinc/66/57/48/979665748.db2.gz TYNGWFLLRQPFCZ-PWRODBHTSA-N 1 3 355.526 2.624 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001076567994 979666385 /nfs/dbraw/zinc/66/63/85/979666385.db2.gz PUYSKKXVJVPNJN-PCCBWWKXSA-N 1 3 353.510 2.548 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CC5)cc4)C[C@H]32)C1 ZINC001076567994 979666388 /nfs/dbraw/zinc/66/63/88/979666388.db2.gz PUYSKKXVJVPNJN-PCCBWWKXSA-N 1 3 353.510 2.548 20 0 FFADHO CN1CCN(CCOc2ccc(-c3ccc(F)c4c3CC[NH2+]C4)cc2)CC1 ZINC000904758856 980333521 /nfs/dbraw/zinc/33/35/21/980333521.db2.gz OGZNAHBLHYTRJQ-UHFFFAOYSA-N 1 3 369.484 2.765 20 0 FFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000648499198 980933464 /nfs/dbraw/zinc/93/34/64/980933464.db2.gz OYCHQKVERBWYGF-PMACEKPBSA-N 1 3 359.514 2.559 20 0 FFADHO C[N@H+](CCNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000729645251 981226568 /nfs/dbraw/zinc/22/65/68/981226568.db2.gz OZAXHEHFRBGIJQ-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO C[N@@H+](CCNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000729645251 981226575 /nfs/dbraw/zinc/22/65/75/981226575.db2.gz OZAXHEHFRBGIJQ-UHFFFAOYSA-N 1 3 374.598 2.990 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@H+]4C)[C@@H]3C2)cs1 ZINC001075906498 981278234 /nfs/dbraw/zinc/27/82/34/981278234.db2.gz NBODHQGAHFZFMJ-IPMKNSEASA-N 1 3 361.555 2.964 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@@H+]4C)[C@@H]3C2)cs1 ZINC001075906498 981278237 /nfs/dbraw/zinc/27/82/37/981278237.db2.gz NBODHQGAHFZFMJ-IPMKNSEASA-N 1 3 361.555 2.964 20 0 FFADHO O=C(NC[C@H]1CCCC[NH2+]1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237784094 982035674 /nfs/dbraw/zinc/03/56/74/982035674.db2.gz XPQKZONSWPGHKX-AEFFLSMTSA-N 1 3 369.431 2.699 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1OC1CC1 ZINC001088667115 982256386 /nfs/dbraw/zinc/25/63/86/982256386.db2.gz XTYBTDAQSWQNBE-LSTHTHJFSA-N 1 3 371.525 2.791 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1OC1CC1 ZINC001088667115 982256392 /nfs/dbraw/zinc/25/63/92/982256392.db2.gz XTYBTDAQSWQNBE-LSTHTHJFSA-N 1 3 371.525 2.791 20 0 FFADHO CC(C)(C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+]1CCCCC1 ZINC000912402030 984029293 /nfs/dbraw/zinc/02/92/93/984029293.db2.gz JNHLPWWQFJOAAJ-UHFFFAOYSA-N 1 3 358.530 2.674 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c[nH]nc43)CC2)CC1 ZINC000654429244 984208743 /nfs/dbraw/zinc/20/87/43/984208743.db2.gz KRTINVMEUKLQBV-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444594 984545966 /nfs/dbraw/zinc/54/59/66/984545966.db2.gz QJGAVCFRCNXWRR-SVFBPWRDSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444594 984545969 /nfs/dbraw/zinc/54/59/69/984545969.db2.gz QJGAVCFRCNXWRR-SVFBPWRDSA-N 1 3 367.578 2.750 20 0 FFADHO COCCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495741 984597199 /nfs/dbraw/zinc/59/71/99/984597199.db2.gz VJTWQJRPWWTRRA-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO COCCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495741 984597203 /nfs/dbraw/zinc/59/72/03/984597203.db2.gz VJTWQJRPWWTRRA-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000669483836 984652091 /nfs/dbraw/zinc/65/20/91/984652091.db2.gz OUTMYAZOMWACPU-QHAWAJNXSA-N 1 3 370.541 2.855 20 0 FFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000651228338 1015061985 /nfs/dbraw/zinc/06/19/85/1015061985.db2.gz WWHHWPRKLMDZDE-HKUYNNGSSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@H](C[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000158226271 984809703 /nfs/dbraw/zinc/80/97/03/984809703.db2.gz GFTOTCPOAYWQDM-KURKYZTESA-N 1 3 369.550 2.722 20 0 FFADHO Cc1ncoc1CN1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614077 984819027 /nfs/dbraw/zinc/81/90/27/984819027.db2.gz PAIXIKIOYWJBHH-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669586902 984866306 /nfs/dbraw/zinc/86/63/06/984866306.db2.gz PXOHKWPSKDCVRA-HKUYNNGSSA-N 1 3 362.518 2.518 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669586942 984871077 /nfs/dbraw/zinc/87/10/77/984871077.db2.gz ALGZVVUVIKSDTK-WOJBJXKFSA-N 1 3 360.546 2.929 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654725785 985370037 /nfs/dbraw/zinc/37/00/37/985370037.db2.gz KKYLZAHNRZREFH-WOJBJXKFSA-N 1 3 374.529 2.902 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654725785 985370047 /nfs/dbraw/zinc/37/00/47/985370047.db2.gz KKYLZAHNRZREFH-WOJBJXKFSA-N 1 3 374.529 2.902 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc2c(c1)CCC2 ZINC001088980883 985733714 /nfs/dbraw/zinc/73/37/14/985733714.db2.gz VKSGNRGVMNWXII-MMOPVJDHSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2c(c1)CCC2 ZINC001088980883 985733721 /nfs/dbraw/zinc/73/37/21/985733721.db2.gz VKSGNRGVMNWXII-MMOPVJDHSA-N 1 3 355.526 2.596 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C[NH+](CC)CC)c2)CC1 ZINC000473818860 986178323 /nfs/dbraw/zinc/17/83/23/986178323.db2.gz MILGEAWMIOGWTI-KRWDZBQOSA-N 1 3 361.534 2.680 20 0 FFADHO C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382728012 986889730 /nfs/dbraw/zinc/88/97/30/986889730.db2.gz WMWRGOYGGLRHAJ-MAUKXSAKSA-N 1 3 369.431 2.651 20 0 FFADHO COc1ccc(CN(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)cc1 ZINC001486369808 987275753 /nfs/dbraw/zinc/27/57/53/987275753.db2.gz NQXACBSEWAUMAX-YLJYHZDGSA-N 1 3 361.530 2.704 20 0 FFADHO COc1ccc(CN(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)cc1 ZINC001486369808 987275761 /nfs/dbraw/zinc/27/57/61/987275761.db2.gz NQXACBSEWAUMAX-YLJYHZDGSA-N 1 3 361.530 2.704 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001106255480 987769166 /nfs/dbraw/zinc/76/91/66/987769166.db2.gz USMHVWBCBJMKJG-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C3)cc1 ZINC001095920254 1015383289 /nfs/dbraw/zinc/38/32/89/1015383289.db2.gz OKZNJWODQBIGLL-RQUKQETFSA-N 1 3 355.526 2.947 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C3)cc1 ZINC001095920254 1015383299 /nfs/dbraw/zinc/38/32/99/1015383299.db2.gz OKZNJWODQBIGLL-RQUKQETFSA-N 1 3 355.526 2.947 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106581613 988432771 /nfs/dbraw/zinc/43/27/71/988432771.db2.gz JFDWDULRFKFCBB-GKLWEYSHSA-N 1 3 362.345 2.720 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106581613 988432778 /nfs/dbraw/zinc/43/27/78/988432778.db2.gz JFDWDULRFKFCBB-GKLWEYSHSA-N 1 3 362.345 2.720 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CC4CCC4)c3)C2)[C@H]1C(C)C ZINC000922395228 988545823 /nfs/dbraw/zinc/54/58/23/988545823.db2.gz RGXHPYWWBXFPJL-NCYKPQTJSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CC4CCC4)c3)C2)[C@H]1C(C)C ZINC000922395228 988545834 /nfs/dbraw/zinc/54/58/34/988545834.db2.gz RGXHPYWWBXFPJL-NCYKPQTJSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccnn3CC3CCC3)C2)[C@H]1C(C)C ZINC000922396136 988564307 /nfs/dbraw/zinc/56/43/07/988564307.db2.gz VFHHVVOTCXZEER-NCYKPQTJSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccnn3CC3CCC3)C2)[C@H]1C(C)C ZINC000922396136 988564315 /nfs/dbraw/zinc/56/43/15/988564315.db2.gz VFHHVVOTCXZEER-NCYKPQTJSA-N 1 3 360.546 2.643 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001106666663 988609932 /nfs/dbraw/zinc/60/99/32/988609932.db2.gz PPRALWAIXATLRI-QKNQBKEWSA-N 1 3 357.542 2.563 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[N@H+](C)C(C)(C)CC3)c2)CC1 ZINC000879237319 1015429104 /nfs/dbraw/zinc/42/91/04/1015429104.db2.gz HKIXIGFXQKGENS-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[N@@H+](C)C(C)(C)CC3)c2)CC1 ZINC000879237319 1015429110 /nfs/dbraw/zinc/42/91/10/1015429110.db2.gz HKIXIGFXQKGENS-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO Cc1cc2ncn(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c2cc1C ZINC000763335048 989693672 /nfs/dbraw/zinc/69/36/72/989693672.db2.gz KSXJSBGVYAFLDA-ICSRJNTNSA-N 1 3 355.530 2.568 20 0 FFADHO Cc1cc2ncn(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c2cc1C ZINC000763335048 989693674 /nfs/dbraw/zinc/69/36/74/989693674.db2.gz KSXJSBGVYAFLDA-ICSRJNTNSA-N 1 3 355.530 2.568 20 0 FFADHO Cc1cc2ncn(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2cc1C ZINC000763335048 989693678 /nfs/dbraw/zinc/69/36/78/989693678.db2.gz KSXJSBGVYAFLDA-ICSRJNTNSA-N 1 3 355.530 2.568 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(Cc3ccc(CF)cc3)CC2)CC[N@@H+]1C ZINC001005411586 989766774 /nfs/dbraw/zinc/76/67/74/989766774.db2.gz DWPZCMYQQLSHCE-OXQOHEQNSA-N 1 3 361.505 2.919 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(Cc3ccc(CF)cc3)CC2)CC[N@H+]1C ZINC001005411586 989766782 /nfs/dbraw/zinc/76/67/82/989766782.db2.gz DWPZCMYQQLSHCE-OXQOHEQNSA-N 1 3 361.505 2.919 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001034214950 989972434 /nfs/dbraw/zinc/97/24/34/989972434.db2.gz SDTHLKBVKYWHFI-LSTHTHJFSA-N 1 3 361.505 2.967 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001034214950 989972440 /nfs/dbraw/zinc/97/24/40/989972440.db2.gz SDTHLKBVKYWHFI-LSTHTHJFSA-N 1 3 361.505 2.967 20 0 FFADHO CCc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652361937 1015540448 /nfs/dbraw/zinc/54/04/48/1015540448.db2.gz UBZFOOJJAUVPCA-HBMCJLEFSA-N 1 3 373.541 2.568 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652362707 1015541680 /nfs/dbraw/zinc/54/16/80/1015541680.db2.gz NEVDJKURRCGICQ-PWRODBHTSA-N 1 3 373.541 2.933 20 0 FFADHO CCN(CC)CC(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923179578 990935183 /nfs/dbraw/zinc/93/51/83/990935183.db2.gz SMLFWGPOFYWSRS-FQEVSTJZSA-N 1 3 373.541 2.658 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccccc3C3CC3)C2)CC[N@@H+]1C ZINC001031685598 990985809 /nfs/dbraw/zinc/98/58/09/990985809.db2.gz DEJCLGQNKZZFHZ-LEWJYISDSA-N 1 3 355.526 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccccc3C3CC3)C2)CC[N@H+]1C ZINC001031685598 990985817 /nfs/dbraw/zinc/98/58/17/990985817.db2.gz DEJCLGQNKZZFHZ-LEWJYISDSA-N 1 3 355.526 2.842 20 0 FFADHO CCC[C@H](NC(=O)[C@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923456908 991152800 /nfs/dbraw/zinc/15/28/00/991152800.db2.gz RNJDAWQXOKBRJS-IHPCNDPISA-N 1 3 373.541 2.862 20 0 FFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923452449 991156399 /nfs/dbraw/zinc/15/63/99/991156399.db2.gz GZZWDXRFUYSHMH-ABSDTBQOSA-N 1 3 373.541 2.645 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2nc(C)c(C)s2)[C@H](C)C1 ZINC001106903733 991237027 /nfs/dbraw/zinc/23/70/27/991237027.db2.gz HMPWPQIJBXFIBL-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2nc(C)c(C)s2)[C@H](C)C1 ZINC001106903733 991237037 /nfs/dbraw/zinc/23/70/37/991237037.db2.gz HMPWPQIJBXFIBL-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)[C@H](C)C1 ZINC001106907767 991436142 /nfs/dbraw/zinc/43/61/42/991436142.db2.gz BNSKNGGCYHWBJE-WRWLIDTKSA-N 1 3 361.505 2.839 20 0 FFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000649315722 991440034 /nfs/dbraw/zinc/44/00/34/991440034.db2.gz DWJGMSCJHVOGNM-QUCCMNQESA-N 1 3 359.514 2.737 20 0 FFADHO C[C@H](NCc1ccccc1C[NH2+][C@@H](C)c1ccnn1C)c1ccnn1C ZINC000879685995 1015638823 /nfs/dbraw/zinc/63/88/23/1015638823.db2.gz QFHDKDFUGDQJOJ-HOTGVXAUSA-N 1 3 352.486 2.855 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000446398422 991700433 /nfs/dbraw/zinc/70/04/33/991700433.db2.gz NNTDSOWYDRNIKE-SOLBZPMBSA-N 1 3 369.431 2.827 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccc(C)c(OC)c2)CC[N@@H+]1C ZINC001485306418 991902052 /nfs/dbraw/zinc/90/20/52/991902052.db2.gz KXCOYEDDWPVXPB-YTQUADARSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccc(C)c(OC)c2)CC[N@H+]1C ZINC001485306418 991902058 /nfs/dbraw/zinc/90/20/58/991902058.db2.gz KXCOYEDDWPVXPB-YTQUADARSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccc(C)c(OC)c2)CC[N@@H+]1C ZINC001485306409 991902573 /nfs/dbraw/zinc/90/25/73/991902573.db2.gz KXCOYEDDWPVXPB-NZSAHSFTSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccc(C)c(OC)c2)CC[N@H+]1C ZINC001485306409 991902579 /nfs/dbraw/zinc/90/25/79/991902579.db2.gz KXCOYEDDWPVXPB-NZSAHSFTSA-N 1 3 361.530 2.670 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037553 992687837 /nfs/dbraw/zinc/68/78/37/992687837.db2.gz OKHPUVYGCWTKLX-NVXWUHKLSA-N 1 3 369.500 2.877 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037553 992687842 /nfs/dbraw/zinc/68/78/42/992687842.db2.gz OKHPUVYGCWTKLX-NVXWUHKLSA-N 1 3 369.500 2.877 20 0 FFADHO Cn1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000414931157 992779810 /nfs/dbraw/zinc/77/98/10/992779810.db2.gz UFDBPVWHCOVFFZ-DLBZAZTESA-N 1 3 356.470 2.608 20 0 FFADHO COc1cccc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001080383775 993001444 /nfs/dbraw/zinc/00/14/44/993001444.db2.gz WVNRBCFWPVEDPE-GQIGUUNPSA-N 1 3 359.514 2.535 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 ZINC001107036931 993291976 /nfs/dbraw/zinc/29/19/76/993291976.db2.gz UVTKCFASWNNYDC-HXISBXOFSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)[C@H](C)C1 ZINC001107039823 993300453 /nfs/dbraw/zinc/30/04/53/993300453.db2.gz ZZWHLKVYPYLMKD-ZIAGYGMSSA-N 1 3 357.951 2.926 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1)C1CCC1 ZINC001081125658 993654798 /nfs/dbraw/zinc/65/47/98/993654798.db2.gz LFGPQFZQNHHMOT-LEWJYISDSA-N 1 3 355.526 2.855 20 0 FFADHO CO[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001082382715 994496341 /nfs/dbraw/zinc/49/63/41/994496341.db2.gz QEWRNBJWUFEVNW-RTBURBONSA-N 1 3 361.530 2.613 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001082382715 994496345 /nfs/dbraw/zinc/49/63/45/994496345.db2.gz QEWRNBJWUFEVNW-RTBURBONSA-N 1 3 361.530 2.613 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810449809 994792231 /nfs/dbraw/zinc/79/22/31/994792231.db2.gz OKSSQLOXXHNJNX-NQIIRXRSSA-N 1 3 361.505 2.932 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810449809 994792242 /nfs/dbraw/zinc/79/22/42/994792242.db2.gz OKSSQLOXXHNJNX-NQIIRXRSSA-N 1 3 361.505 2.932 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccnc(Cl)c1 ZINC001082570802 994968639 /nfs/dbraw/zinc/96/86/39/994968639.db2.gz ZKAIQDBATZARBK-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCc1ccnc(Cl)c1 ZINC001082570802 994968650 /nfs/dbraw/zinc/96/86/50/994968650.db2.gz ZKAIQDBATZARBK-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cccc2Cl)C1)N(C)C ZINC001082748329 995305865 /nfs/dbraw/zinc/30/58/65/995305865.db2.gz HDQNNPUAIRSXHV-OLMNPRSZSA-N 1 3 351.922 2.925 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1)N(C)C ZINC001082748496 995318872 /nfs/dbraw/zinc/31/88/72/995318872.db2.gz OFPFBJZEEOVRSC-XYPHTWIQSA-N 1 3 371.447 2.982 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001082741158 995395969 /nfs/dbraw/zinc/39/59/69/995395969.db2.gz QWPKZYQOMXYUFK-LLGFUMIMSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001082742049 995398184 /nfs/dbraw/zinc/39/81/84/995398184.db2.gz OXIUADMKUNBDQC-CSODHUTKSA-N 1 3 366.509 2.513 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC001082742187 995400477 /nfs/dbraw/zinc/40/04/77/995400477.db2.gz UUGPWSXQDIRZLY-SQGPQFPESA-N 1 3 366.509 2.513 20 0 FFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cc1 ZINC001082743125 995401478 /nfs/dbraw/zinc/40/14/78/995401478.db2.gz JDGOKWDSVXHVKD-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001082782795 995490042 /nfs/dbraw/zinc/49/00/42/995490042.db2.gz QEEGDXWRYZJIDQ-WSTZPKSXSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084347396 996475716 /nfs/dbraw/zinc/47/57/16/996475716.db2.gz PQUUNFOMEQWRTL-BHIFYINESA-N 1 3 367.537 2.678 20 0 FFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001084629279 996744237 /nfs/dbraw/zinc/74/42/37/996744237.db2.gz OFGCVOZTIHRGKM-TZIWHRDSSA-N 1 3 355.526 2.678 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3CC[N@H+](CCC4CC4)C[C@H]32)C1 ZINC001084662895 996793006 /nfs/dbraw/zinc/79/30/06/996793006.db2.gz BWTWOWDWAFQQHO-MBOZVWFJSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]3CC[N@@H+](CCC4CC4)C[C@H]32)C1 ZINC001084662895 996793010 /nfs/dbraw/zinc/79/30/10/996793010.db2.gz BWTWOWDWAFQQHO-MBOZVWFJSA-N 1 3 351.510 2.532 20 0 FFADHO C[C@@H](F)CCN1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663633 996794049 /nfs/dbraw/zinc/79/40/49/996794049.db2.gz LKRUNRXLHUHGAF-NSISKUIASA-N 1 3 361.505 2.685 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCC[C@@H](O)c3ccccc3)CC2)CC1 ZINC000824819217 997099792 /nfs/dbraw/zinc/09/97/92/997099792.db2.gz MOOCYFDDSXHCMT-OAQYLSRUSA-N 1 3 373.541 2.565 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(CCCc4ccsc4)C[C@H]32)C1 ZINC001084775739 997284902 /nfs/dbraw/zinc/28/49/02/997284902.db2.gz SERZIUVGKDONTO-IPMKNSEASA-N 1 3 361.555 2.555 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(CCCc4ccsc4)C[C@H]32)C1 ZINC001084775739 997284915 /nfs/dbraw/zinc/28/49/15/997284915.db2.gz SERZIUVGKDONTO-IPMKNSEASA-N 1 3 361.555 2.555 20 0 FFADHO c1ccc(-c2noc(C3CCN(C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)CC3)n2)cc1 ZINC000903730763 1016158973 /nfs/dbraw/zinc/15/89/73/1016158973.db2.gz YXWAMKHBCCDJRU-RXVVDRJESA-N 1 3 368.481 2.685 20 0 FFADHO COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790744 1016200121 /nfs/dbraw/zinc/20/01/21/1016200121.db2.gz YLIQQMUZKVQMHQ-MRXNPFEDSA-N 1 3 361.530 2.912 20 0 FFADHO COc1cc2c(cc1OC)C1(CCC1)N(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903786627 1016198941 /nfs/dbraw/zinc/19/89/41/1016198941.db2.gz NCLQFSKDDHWURJ-UWJYYQICSA-N 1 3 372.509 2.710 20 0 FFADHO CN(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](C/C=C/c3ccccc3)[C@H]2C1)C1CC1 ZINC001084958038 998354621 /nfs/dbraw/zinc/35/46/21/998354621.db2.gz JEZZXIBDJMGMNA-JCCRRJQYSA-N 1 3 367.537 2.963 20 0 FFADHO CN(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](C/C=C/c3ccccc3)[C@H]2C1)C1CC1 ZINC001084958038 998354635 /nfs/dbraw/zinc/35/46/35/998354635.db2.gz JEZZXIBDJMGMNA-JCCRRJQYSA-N 1 3 367.537 2.963 20 0 FFADHO COc1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CN4CCC[C@@H]4C)C[C@@H]32)c1 ZINC001085031945 998715639 /nfs/dbraw/zinc/71/56/39/998715639.db2.gz GEKRBZIEEBGBFA-DSKINZAPSA-N 1 3 371.525 2.602 20 0 FFADHO COc1cccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CN4CCC[C@@H]4C)C[C@@H]32)c1 ZINC001085031945 998715642 /nfs/dbraw/zinc/71/56/42/998715642.db2.gz GEKRBZIEEBGBFA-DSKINZAPSA-N 1 3 371.525 2.602 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000677583372 1016242793 /nfs/dbraw/zinc/24/27/93/1016242793.db2.gz DFMXINLUDPQXIC-SLFFLAALSA-N 1 3 356.514 2.702 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001085217665 999184552 /nfs/dbraw/zinc/18/45/52/999184552.db2.gz LDUSPXCEUJAUFO-GUDVDZBRSA-N 1 3 362.518 2.683 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC001085217665 999184554 /nfs/dbraw/zinc/18/45/54/999184554.db2.gz LDUSPXCEUJAUFO-GUDVDZBRSA-N 1 3 362.518 2.683 20 0 FFADHO CCOC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)N2CCCC2)C1 ZINC001085295654 999312997 /nfs/dbraw/zinc/31/29/97/999312997.db2.gz RPDNFNQJTLRXMM-CSODTCANSA-N 1 3 365.562 2.693 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2conc2C)C1 ZINC001085306440 999329811 /nfs/dbraw/zinc/32/98/11/999329811.db2.gz AAAMRFWRSIYOHI-QXAKKESOSA-N 1 3 362.518 2.622 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2conc2C)C1 ZINC001085306440 999329816 /nfs/dbraw/zinc/32/98/16/999329816.db2.gz AAAMRFWRSIYOHI-QXAKKESOSA-N 1 3 362.518 2.622 20 0 FFADHO COc1cccc(C2(C[NH2+]C[C@H](CN)Cc3cnn(C)c3C)CCCC2)c1 ZINC000903922504 1016307400 /nfs/dbraw/zinc/30/74/00/1016307400.db2.gz YGZBHGGHTWUBHQ-SFHVURJKSA-N 1 3 370.541 2.956 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1)N1CCCCCC1 ZINC001085352694 999406862 /nfs/dbraw/zinc/40/68/62/999406862.db2.gz SMYWXXNNBDUJDO-DFQSSKMNSA-N 1 3 358.530 2.863 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1)N1CCCCCC1 ZINC001085352540 999406875 /nfs/dbraw/zinc/40/68/75/999406875.db2.gz LLVDTXSPMQQPMY-CGTJXYLNSA-N 1 3 364.559 2.925 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2Cl)C1 ZINC001085422526 999497298 /nfs/dbraw/zinc/49/72/98/999497298.db2.gz WIDXCNXRMUTWDZ-BMGDILEWSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2Cl)C1 ZINC001085422526 999497299 /nfs/dbraw/zinc/49/72/99/999497299.db2.gz WIDXCNXRMUTWDZ-BMGDILEWSA-N 1 3 367.896 2.948 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000743028534 999796969 /nfs/dbraw/zinc/79/69/69/999796969.db2.gz WQJVVHBBZMJIPB-HXUWFJFHSA-N 1 3 374.598 2.942 20 0 FFADHO Cc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001086371369 999876201 /nfs/dbraw/zinc/87/62/01/999876201.db2.gz FSMQLKHWGGQWCA-JOCBIADPSA-N 1 3 363.933 2.973 20 0 FFADHO Cc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001086371369 999876204 /nfs/dbraw/zinc/87/62/04/999876204.db2.gz FSMQLKHWGGQWCA-JOCBIADPSA-N 1 3 363.933 2.973 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](c3nc4c(s3)CCC4)C2)cnn1C ZINC000903987582 1016362848 /nfs/dbraw/zinc/36/28/48/1016362848.db2.gz HMJLSLSIMJNLMC-CVEARBPZSA-N 1 3 373.570 2.671 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@]3(CCC(=O)N3Cc3ccncc3)C1)C2 ZINC001169134204 1000024450 /nfs/dbraw/zinc/02/44/50/1000024450.db2.gz RDLBGVQMCHRUKK-IIZPIQPGSA-N 1 3 368.525 2.664 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@]3(CCC(=O)N3Cc3ccncc3)C1)C2 ZINC001169134204 1000024451 /nfs/dbraw/zinc/02/44/51/1000024451.db2.gz RDLBGVQMCHRUKK-IIZPIQPGSA-N 1 3 368.525 2.664 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)C2 ZINC001169109428 1000025684 /nfs/dbraw/zinc/02/56/84/1000025684.db2.gz IFXHYBQSIYHMIC-PDOICOKGSA-N 1 3 363.933 2.928 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CO1 ZINC001169354163 1000042920 /nfs/dbraw/zinc/04/29/20/1000042920.db2.gz SUNMAOJPLQHADH-RTBURBONSA-N 1 3 352.519 2.731 20 0 FFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CO1 ZINC001169354163 1000042921 /nfs/dbraw/zinc/04/29/21/1000042921.db2.gz SUNMAOJPLQHADH-RTBURBONSA-N 1 3 352.519 2.731 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001109361237 1000311764 /nfs/dbraw/zinc/31/17/64/1000311764.db2.gz PLYYVLDOTXJPPN-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001109361237 1000311768 /nfs/dbraw/zinc/31/17/68/1000311768.db2.gz PLYYVLDOTXJPPN-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO Cc1ccccc1OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654956 1000790667 /nfs/dbraw/zinc/79/06/67/1000790667.db2.gz CHEVXMSNUMDFSM-AABGKKOBSA-N 1 3 373.541 2.827 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC001146981721 1000799945 /nfs/dbraw/zinc/79/99/45/1000799945.db2.gz DZKFFRGNQGLFCQ-HKUYNNGSSA-N 1 3 363.546 2.931 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC001146981721 1000799951 /nfs/dbraw/zinc/79/99/51/1000799951.db2.gz DZKFFRGNQGLFCQ-HKUYNNGSSA-N 1 3 363.546 2.931 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C)[NH+](CC)CC ZINC001109714305 1000897198 /nfs/dbraw/zinc/89/71/98/1000897198.db2.gz GKULFXBUQPYDOA-HCXYKTFWSA-N 1 3 353.551 2.643 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H](C)[NH+]3CCCCC3)c2)CC1 ZINC000771273020 1001067729 /nfs/dbraw/zinc/06/77/29/1001067729.db2.gz NPTKSVQGLQMXGX-SFHVURJKSA-N 1 3 373.545 2.824 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)cs1 ZINC001091735554 1001172596 /nfs/dbraw/zinc/17/25/96/1001172596.db2.gz UZUURLKYBYLTEV-MJGOQNOKSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@]3(C)C2)cs1 ZINC001091735554 1001172599 /nfs/dbraw/zinc/17/25/99/1001172599.db2.gz UZUURLKYBYLTEV-MJGOQNOKSA-N 1 3 361.555 2.821 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737699 1001183885 /nfs/dbraw/zinc/18/38/85/1001183885.db2.gz HTDAEIPKNLYHJA-IAAOFIHFSA-N 1 3 367.537 2.820 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1)C1CC1 ZINC001091737699 1001183887 /nfs/dbraw/zinc/18/38/87/1001183887.db2.gz HTDAEIPKNLYHJA-IAAOFIHFSA-N 1 3 367.537 2.820 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091738309 1001184438 /nfs/dbraw/zinc/18/44/38/1001184438.db2.gz UIIDOTOWSKEBSI-GIWBLDEGSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091738309 1001184442 /nfs/dbraw/zinc/18/44/42/1001184442.db2.gz UIIDOTOWSKEBSI-GIWBLDEGSA-N 1 3 369.553 2.870 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)c1 ZINC001091740858 1001186918 /nfs/dbraw/zinc/18/69/18/1001186918.db2.gz MPMHYCAYVLIYLU-KNQAVFIVSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@]3(C)C2)c1 ZINC001091740858 1001186933 /nfs/dbraw/zinc/18/69/33/1001186933.db2.gz MPMHYCAYVLIYLU-KNQAVFIVSA-N 1 3 355.526 2.760 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)CC(C)(C)CC[NH3+])cc2)CC1 ZINC001149010650 1001244905 /nfs/dbraw/zinc/24/49/05/1001244905.db2.gz LXHAKLZIXDWOLS-SFHVURJKSA-N 1 3 374.573 2.960 20 0 FFADHO CN(C)c1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)c1 ZINC001110006106 1001280290 /nfs/dbraw/zinc/28/02/90/1001280290.db2.gz WBJSFUBVMQZWJU-HKBOAZHASA-N 1 3 372.557 2.706 20 0 FFADHO COc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)c1C ZINC001110002892 1001282912 /nfs/dbraw/zinc/28/29/12/1001282912.db2.gz ZAXWERWEYGERNV-AABGKKOBSA-N 1 3 373.541 2.957 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC001086882928 1001300962 /nfs/dbraw/zinc/30/09/62/1001300962.db2.gz VAHGYEWABQSZFQ-YQVWRLOYSA-N 1 3 362.518 2.540 20 0 FFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001086883009 1001301083 /nfs/dbraw/zinc/30/10/83/1001301083.db2.gz BSPMKNACQAJOKB-PKOBYXMFSA-N 1 3 366.509 2.832 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](OC)c1ccccc1 ZINC001110017810 1001318452 /nfs/dbraw/zinc/31/84/52/1001318452.db2.gz NQSZHYOYSOKRJS-ANULTFPQSA-N 1 3 373.541 2.828 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](OC)c1ccccc1 ZINC001110017810 1001318461 /nfs/dbraw/zinc/31/84/61/1001318461.db2.gz NQSZHYOYSOKRJS-ANULTFPQSA-N 1 3 373.541 2.828 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cccs2)C1 ZINC001112585618 1001535859 /nfs/dbraw/zinc/53/58/59/1001535859.db2.gz IRBBOMVSCQJMNE-PXNSSMCTSA-N 1 3 363.571 2.849 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001112585481 1001536392 /nfs/dbraw/zinc/53/63/92/1001536392.db2.gz AOJPFEGRALZOEA-WMZOPIPTSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788646849 1001833640 /nfs/dbraw/zinc/83/36/40/1001833640.db2.gz SUKVVPBQHGOSLZ-ZACQAIPSSA-N 1 3 369.550 2.721 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788646840 1001833687 /nfs/dbraw/zinc/83/36/87/1001833687.db2.gz SUKVVPBQHGOSLZ-BBWFWOEESA-N 1 3 369.550 2.721 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC001183373032 1002262315 /nfs/dbraw/zinc/26/23/15/1002262315.db2.gz RSCCXIRBGJDWJT-SLFFLAALSA-N 1 3 373.541 2.848 20 0 FFADHO Cc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@]3(C)C2)c1 ZINC001092010532 1002276836 /nfs/dbraw/zinc/27/68/36/1002276836.db2.gz GNIFWRBMRRICHH-DWLFOUALSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@]3(C)C2)c1 ZINC001092010532 1002276840 /nfs/dbraw/zinc/27/68/40/1002276840.db2.gz GNIFWRBMRRICHH-DWLFOUALSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cs1 ZINC001092013693 1002287081 /nfs/dbraw/zinc/28/70/81/1002287081.db2.gz WWYGQCIUSTVSLM-ZTNFWEORSA-N 1 3 361.555 2.679 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cs1 ZINC001092013693 1002287090 /nfs/dbraw/zinc/28/70/90/1002287090.db2.gz WWYGQCIUSTVSLM-ZTNFWEORSA-N 1 3 361.555 2.679 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092015227 1002290972 /nfs/dbraw/zinc/29/09/72/1002290972.db2.gz MCSVXHJKJIULLI-KNQAVFIVSA-N 1 3 359.558 2.999 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092015227 1002290979 /nfs/dbraw/zinc/29/09/79/1002290979.db2.gz MCSVXHJKJIULLI-KNQAVFIVSA-N 1 3 359.558 2.999 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588311 1002418092 /nfs/dbraw/zinc/41/80/92/1002418092.db2.gz OWFUWLMRXIVUTB-FDFHNCONSA-N 1 3 367.537 2.879 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000790704805 1002464660 /nfs/dbraw/zinc/46/46/60/1002464660.db2.gz DONXIDKXSPHLQM-UHFFFAOYSA-N 1 3 374.573 2.924 20 0 FFADHO C[C@H](F)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300547 1002629819 /nfs/dbraw/zinc/62/98/19/1002629819.db2.gz YZCFHAFKJJDWRX-CDXJDZJCSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@H](F)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300547 1002629824 /nfs/dbraw/zinc/62/98/24/1002629824.db2.gz YZCFHAFKJJDWRX-CDXJDZJCSA-N 1 3 361.505 2.890 20 0 FFADHO CCN1CCN(Cc2ccc(Nc3cnn(CCC[NH+](C)C)c3)cc2)CC1 ZINC001186997106 1003526525 /nfs/dbraw/zinc/52/65/25/1003526525.db2.gz NGKRNRJRCIPSFH-UHFFFAOYSA-N 1 3 370.545 2.716 20 0 FFADHO Cc1cnc([C@H](C)[N@H+]2C[C@@H](CNC(=O)c3ccn4cncc4c3)[C@H](C)C2)o1 ZINC001092782199 1003576299 /nfs/dbraw/zinc/57/62/99/1003576299.db2.gz GYSLXPGTHQBGGC-UKPHBRMFSA-N 1 3 367.453 2.690 20 0 FFADHO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)c3ccn4cncc4c3)[C@H](C)C2)o1 ZINC001092782199 1003576304 /nfs/dbraw/zinc/57/63/04/1003576304.db2.gz GYSLXPGTHQBGGC-UKPHBRMFSA-N 1 3 367.453 2.690 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001196696427 1003916481 /nfs/dbraw/zinc/91/64/81/1003916481.db2.gz FVHNPCXSRSGSKN-IBGZPJMESA-N 1 3 362.587 2.847 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001050051526 1016875907 /nfs/dbraw/zinc/87/59/07/1016875907.db2.gz ZRRQEJQATHSLSH-HAFXZWCDSA-N 1 3 367.537 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001050051526 1016875912 /nfs/dbraw/zinc/87/59/12/1016875912.db2.gz ZRRQEJQATHSLSH-HAFXZWCDSA-N 1 3 367.537 2.963 20 0 FFADHO COc1cnc(C)nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170524547 1004591213 /nfs/dbraw/zinc/59/12/13/1004591213.db2.gz BXLOXDRAWYVEJU-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cc4nccnc4cn3)c3ccccc23)CC1 ZINC001170524756 1004592917 /nfs/dbraw/zinc/59/29/17/1004592917.db2.gz LRECQXOSBDSSGH-UHFFFAOYSA-N 1 3 372.476 2.934 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3cc4nccc-4n[nH]3)c3ccccc23)CC1 ZINC001170524570 1004600182 /nfs/dbraw/zinc/60/01/82/1004600182.db2.gz CWTJBSZUKIRECP-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO Nc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncc1F ZINC001170526127 1004604848 /nfs/dbraw/zinc/60/48/48/1004604848.db2.gz QBZGEFASHJKNFA-UHFFFAOYSA-N 1 3 353.445 2.712 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3c[nH]cc4ncnc3-4)c3ccccc23)CC1 ZINC001170528157 1004629034 /nfs/dbraw/zinc/62/90/34/1004629034.db2.gz IWJHNPYJXCVHCP-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3cnc4ccc(Cl)cn34)CC2)CC1 ZINC001199907767 1005049410 /nfs/dbraw/zinc/04/94/10/1005049410.db2.gz YREJZTRNLYXQRF-UHFFFAOYSA-N 1 3 361.921 2.636 20 0 FFADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC001201598270 1005232173 /nfs/dbraw/zinc/23/21/73/1005232173.db2.gz LNGQHLHOBYDHBL-HKBOAZHASA-N 1 3 353.514 2.694 20 0 FFADHO CC(C)N1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC001201598270 1005232178 /nfs/dbraw/zinc/23/21/78/1005232178.db2.gz LNGQHLHOBYDHBL-HKBOAZHASA-N 1 3 353.514 2.694 20 0 FFADHO COc1cncc(CN[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000850117929 1005787405 /nfs/dbraw/zinc/78/74/05/1005787405.db2.gz BOLCOFFUTNGGMX-OAHLLOKOSA-N 1 3 358.461 2.832 20 0 FFADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCO2 ZINC000850433527 1005815260 /nfs/dbraw/zinc/81/52/60/1005815260.db2.gz KGVAAFIZLMMTIM-MRXNPFEDSA-N 1 3 359.514 2.605 20 0 FFADHO Cn1ccc2cnc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)nc21 ZINC001170714877 1006082551 /nfs/dbraw/zinc/08/25/51/1006082551.db2.gz LLHOBDUSQJFJNA-WGSAOQKQSA-N 1 3 368.529 2.719 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C3(CC(C)C)CC3)cc2)CC1 ZINC000852683247 1006135725 /nfs/dbraw/zinc/13/57/25/1006135725.db2.gz UNVUVADPBPCMCR-UHFFFAOYSA-N 1 3 358.530 2.935 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC12CC(C1)CN2 ZINC000854230671 1006732673 /nfs/dbraw/zinc/73/26/73/1006732673.db2.gz WDGHZVXXKKAQRQ-FQWCMUAHSA-N 1 3 355.482 2.573 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC([NH3+])(CC)CC3)cc2)CC1 ZINC000883525019 1006837115 /nfs/dbraw/zinc/83/71/15/1006837115.db2.gz QQKXBGRGVIKVQF-UHFFFAOYSA-N 1 3 359.518 2.564 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCCCF)C[C@H]21)N1CCCCCC1 ZINC001189312772 1007017516 /nfs/dbraw/zinc/01/75/16/1007017516.db2.gz WBLIVXCFYVPSRL-CEXWTWQISA-N 1 3 353.526 2.923 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]21)N1CCCCCC1 ZINC001189312772 1007017527 /nfs/dbraw/zinc/01/75/27/1007017527.db2.gz WBLIVXCFYVPSRL-CEXWTWQISA-N 1 3 353.526 2.923 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@H](N)Cc2c[nH]c3ccccc23)[NH+](C)C)cc1 ZINC000884196617 1007309075 /nfs/dbraw/zinc/30/90/75/1007309075.db2.gz WKIONDHDJGSWST-TZIWHRDSSA-N 1 3 364.493 2.765 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001190248026 1007540599 /nfs/dbraw/zinc/54/05/99/1007540599.db2.gz WQJJBVRNRAPGEO-YUCBDZPESA-N 1 3 355.526 2.963 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C/C=C\c3ccccc3)C2)CC[N@H+]1C ZINC001190248026 1007540611 /nfs/dbraw/zinc/54/06/11/1007540611.db2.gz WQJJBVRNRAPGEO-YUCBDZPESA-N 1 3 355.526 2.963 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)cc1CN1CCCCC1 ZINC000817586216 1007658863 /nfs/dbraw/zinc/65/88/63/1007658863.db2.gz MFLHCTILYXUFGG-MRXNPFEDSA-N 1 3 359.514 2.987 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNCc2nccs2)CC[N@@H+]1C ZINC001170877915 1007756018 /nfs/dbraw/zinc/75/60/18/1007756018.db2.gz HOSZHBSDARHYKP-HRCADAONSA-N 1 3 352.548 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNCc2nccs2)CC[N@H+]1C ZINC001170877915 1007756029 /nfs/dbraw/zinc/75/60/29/1007756029.db2.gz HOSZHBSDARHYKP-HRCADAONSA-N 1 3 352.548 2.638 20 0 FFADHO O=C(OCc1ccccc1)N1CCC(CN2CCC3(CC[NH2+]3)CC2)CC1 ZINC000817866281 1007791292 /nfs/dbraw/zinc/79/12/92/1007791292.db2.gz WTRSSGMXUVIPRB-UHFFFAOYSA-N 1 3 357.498 2.863 20 0 FFADHO COc1ccccc1[C@H](O)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817892711 1007799710 /nfs/dbraw/zinc/79/97/10/1007799710.db2.gz PFOZTHXCOGERAR-DBXWQHBBSA-N 1 3 354.450 2.574 20 0 FFADHO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000818957486 1007994401 /nfs/dbraw/zinc/99/44/01/1007994401.db2.gz SPRWFOCETQGNRE-JOCHJYFZSA-N 1 3 353.510 2.566 20 0 FFADHO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000818957489 1007994681 /nfs/dbraw/zinc/99/46/81/1007994681.db2.gz SPRWFOCETQGNRE-QFIPXVFZSA-N 1 3 353.510 2.566 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001206389190 1032265846 /nfs/dbraw/zinc/26/58/46/1032265846.db2.gz PGDWHTUTTVZMDK-HXUWFJFHSA-N 1 3 364.537 2.803 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000819084134 1008030605 /nfs/dbraw/zinc/03/06/05/1008030605.db2.gz KBURGXGRXNWKPJ-KBXCAEBGSA-N 1 3 372.431 2.829 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1nc2ccccc2[nH]1 ZINC000820075327 1008289995 /nfs/dbraw/zinc/28/99/95/1008289995.db2.gz UYRWMLZMFIRFIA-JKSUJKDBSA-N 1 3 374.533 2.585 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1nc2ccccc2[nH]1 ZINC000820075327 1008289998 /nfs/dbraw/zinc/28/99/98/1008289998.db2.gz UYRWMLZMFIRFIA-JKSUJKDBSA-N 1 3 374.533 2.585 20 0 FFADHO CC[NH+]1CCC(CNCc2cc(OC)c(O)cc2Br)CC1 ZINC001206553245 1032340689 /nfs/dbraw/zinc/34/06/89/1032340689.db2.gz SWZGSSAJCOOASQ-UHFFFAOYSA-N 1 3 357.292 2.985 20 0 FFADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886628047 1008781821 /nfs/dbraw/zinc/78/18/21/1008781821.db2.gz DHRXWFWTOHDJAA-MQBSTWLZSA-N 1 3 355.526 2.921 20 0 FFADHO O=C1O[C@@H](CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000886634966 1008786594 /nfs/dbraw/zinc/78/65/94/1008786594.db2.gz RMGABULDNKEMRZ-ZULIPRJHSA-N 1 3 355.482 2.612 20 0 FFADHO O=C1O[C@@H](CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CN1C1CC1 ZINC000886634966 1008786610 /nfs/dbraw/zinc/78/66/10/1008786610.db2.gz RMGABULDNKEMRZ-ZULIPRJHSA-N 1 3 355.482 2.612 20 0 FFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)N1CCc2sccc2C1 ZINC000887131535 1009043742 /nfs/dbraw/zinc/04/37/42/1009043742.db2.gz ZWCKANWOXMMFRP-INIZCTEOSA-N 1 3 370.522 2.629 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001092968457 1009524951 /nfs/dbraw/zinc/52/49/51/1009524951.db2.gz VBGUDRYJARCZFK-LOCHSILMSA-N 1 3 363.933 2.841 20 0 FFADHO CCN(CC)CC(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001180391571 1009659652 /nfs/dbraw/zinc/65/96/52/1009659652.db2.gz ZTCVTDNBYPJYNJ-UHFFFAOYSA-N 1 3 356.514 2.633 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(-c2ccc(F)cc2)on1 ZINC001206835905 1032450565 /nfs/dbraw/zinc/45/05/65/1032450565.db2.gz SRWYVRPCZGVHMJ-RBUKOAKNSA-N 1 3 358.461 2.691 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(-c2ccc(F)cc2)on1 ZINC001206835905 1032450571 /nfs/dbraw/zinc/45/05/71/1032450571.db2.gz SRWYVRPCZGVHMJ-RBUKOAKNSA-N 1 3 358.461 2.691 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001095405209 1010453559 /nfs/dbraw/zinc/45/35/59/1010453559.db2.gz OQIDKTOAFPUEAA-IVAOSVALSA-N 1 3 355.526 2.823 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001095405209 1010453561 /nfs/dbraw/zinc/45/35/61/1010453561.db2.gz OQIDKTOAFPUEAA-IVAOSVALSA-N 1 3 355.526 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC001093822400 1010594645 /nfs/dbraw/zinc/59/46/45/1010594645.db2.gz PKTMCHMOQPESCL-GDBMZVCRSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001093822930 1010595155 /nfs/dbraw/zinc/59/51/55/1010595155.db2.gz ZBNUMXPWHIFGBC-RTBURBONSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001093824199 1010595918 /nfs/dbraw/zinc/59/59/18/1010595918.db2.gz KBQKJEPYOJHFDX-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](CNCc2c(F)cccc2F)[C@H](C)C1)[NH+](C)C ZINC001093839472 1010610658 /nfs/dbraw/zinc/61/06/58/1010610658.db2.gz PQRGBXVNMGHWRY-CLCXKQKWSA-N 1 3 367.484 2.735 20 0 FFADHO CN1CCN(c2ncccc2C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865431758 1010784274 /nfs/dbraw/zinc/78/42/74/1010784274.db2.gz QMWTWUHEPZZPHX-UHFFFAOYSA-N 1 3 365.456 2.811 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1 ZINC001094040832 1010803310 /nfs/dbraw/zinc/80/33/10/1010803310.db2.gz QEDJGGXSIGSXDL-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)c1 ZINC001094071802 1010831482 /nfs/dbraw/zinc/83/14/82/1010831482.db2.gz DPQQYTKDJOTKFG-QZTJIDSGSA-N 1 3 354.498 2.762 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc2c(c1)CCC2 ZINC001094075035 1010834625 /nfs/dbraw/zinc/83/46/25/1010834625.db2.gz WPFFTIBXKCFUGW-GQIGUUNPSA-N 1 3 366.509 2.886 20 0 FFADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711005 1011041706 /nfs/dbraw/zinc/04/17/06/1011041706.db2.gz ZIXXZKSFBJQFBY-CAPXZKIUSA-N 1 3 369.387 2.633 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC000645008555 1011308655 /nfs/dbraw/zinc/30/86/55/1011308655.db2.gz OBOOZRPOSHYWIL-PWRODBHTSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC000645008555 1011308671 /nfs/dbraw/zinc/30/86/71/1011308671.db2.gz OBOOZRPOSHYWIL-PWRODBHTSA-N 1 3 370.541 2.949 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF)[NH+]1CCCC1 ZINC001110161402 1011323354 /nfs/dbraw/zinc/32/33/54/1011323354.db2.gz DDOCJFBTBVCLIS-YDZRNGNQSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)N1CCCC1 ZINC001110161402 1011323360 /nfs/dbraw/zinc/32/33/60/1011323360.db2.gz DDOCJFBTBVCLIS-YDZRNGNQSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)N1CCCC1 ZINC001110161402 1011323378 /nfs/dbraw/zinc/32/33/78/1011323378.db2.gz DDOCJFBTBVCLIS-YDZRNGNQSA-N 1 3 353.526 2.968 20 0 FFADHO C[NH+]1C(C)(C)CC(NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171622105 1011405181 /nfs/dbraw/zinc/40/51/81/1011405181.db2.gz SRCOOKKYNBAVLW-FQEVSTJZSA-N 1 3 369.550 2.599 20 0 FFADHO CN1C(C)(C)CC([NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171622105 1011405193 /nfs/dbraw/zinc/40/51/93/1011405193.db2.gz SRCOOKKYNBAVLW-FQEVSTJZSA-N 1 3 369.550 2.599 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645259164 1011406313 /nfs/dbraw/zinc/40/63/13/1011406313.db2.gz NMCACKUYKPJXGX-LEWJYISDSA-N 1 3 372.557 2.677 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645259164 1011406318 /nfs/dbraw/zinc/40/63/18/1011406318.db2.gz NMCACKUYKPJXGX-LEWJYISDSA-N 1 3 372.557 2.677 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001274398013 1011422343 /nfs/dbraw/zinc/42/23/43/1011422343.db2.gz YTDFCMRTVYGDFG-JYJNAYRXSA-N 1 3 361.452 2.734 20 0 FFADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001274398013 1011422353 /nfs/dbraw/zinc/42/23/53/1011422353.db2.gz YTDFCMRTVYGDFG-JYJNAYRXSA-N 1 3 361.452 2.734 20 0 FFADHO COCCC1([NH3+])CCN([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171878082 1011496466 /nfs/dbraw/zinc/49/64/66/1011496466.db2.gz COHVUIJBWOGSDH-IBGZPJMESA-N 1 3 359.514 2.511 20 0 FFADHO CNC(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172090715 1011622627 /nfs/dbraw/zinc/62/26/27/1011622627.db2.gz WKVAWARJYYARFD-WKCHPHFGSA-N 1 3 370.541 2.966 20 0 FFADHO CNC(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172090715 1011622633 /nfs/dbraw/zinc/62/26/33/1011622633.db2.gz WKVAWARJYYARFD-WKCHPHFGSA-N 1 3 370.541 2.966 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)[C@H]1CCCc3ccccc31)C2 ZINC001172110871 1011642684 /nfs/dbraw/zinc/64/26/84/1011642684.db2.gz QHLXQAVJOKTHFC-HUUJSLGLSA-N 1 3 355.526 2.828 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)[C@H]1CCCc3ccccc31)C2 ZINC001172110871 1011642690 /nfs/dbraw/zinc/64/26/90/1011642690.db2.gz QHLXQAVJOKTHFC-HUUJSLGLSA-N 1 3 355.526 2.828 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)[C@@H]1CCCc3ccccc31)C2 ZINC001172110873 1011645147 /nfs/dbraw/zinc/64/51/47/1011645147.db2.gz QHLXQAVJOKTHFC-RCLSDMTESA-N 1 3 355.526 2.828 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)[C@@H]1CCCc3ccccc31)C2 ZINC001172110873 1011645154 /nfs/dbraw/zinc/64/51/54/1011645154.db2.gz QHLXQAVJOKTHFC-RCLSDMTESA-N 1 3 355.526 2.828 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)CCN12 ZINC001172182724 1011658644 /nfs/dbraw/zinc/65/86/44/1011658644.db2.gz NUPVOFLYTQAXSV-UWHLTILDSA-N 1 3 353.510 2.594 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)CCN12 ZINC001172182724 1011658649 /nfs/dbraw/zinc/65/86/49/1011658649.db2.gz NUPVOFLYTQAXSV-UWHLTILDSA-N 1 3 353.510 2.594 20 0 FFADHO COCCC[NH+]1CCC(NCCOc2cccc(Br)c2)CC1 ZINC001172243430 1011715674 /nfs/dbraw/zinc/71/56/74/1011715674.db2.gz LAEIBQCLFCHNIZ-UHFFFAOYSA-N 1 3 371.319 2.918 20 0 FFADHO CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CCCOC)CC1 ZINC001172253262 1011725726 /nfs/dbraw/zinc/72/57/26/1011725726.db2.gz IRXNFQKTDXPXFV-SFHVURJKSA-N 1 3 369.550 2.819 20 0 FFADHO COCCC[NH+]1CCC(N2CCC(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001172253385 1011728848 /nfs/dbraw/zinc/72/88/48/1011728848.db2.gz NNXQCWCOFZJSON-UHFFFAOYSA-N 1 3 354.535 2.931 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000646254035 1011820135 /nfs/dbraw/zinc/82/01/35/1011820135.db2.gz KJRCFFVNVUCEHG-HXUWFJFHSA-N 1 3 355.457 2.603 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3cccc(C(C)(C)C)c3)C2)C1=O ZINC001275015634 1011824214 /nfs/dbraw/zinc/82/42/14/1011824214.db2.gz YDUQNUMRMOOUCO-QFIPXVFZSA-N 1 3 357.542 2.970 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3cccc(C(C)(C)C)c3)C2)C1=O ZINC001275015634 1011824228 /nfs/dbraw/zinc/82/42/28/1011824228.db2.gz YDUQNUMRMOOUCO-QFIPXVFZSA-N 1 3 357.542 2.970 20 0 FFADHO Cc1cc(CN2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)ccc1Cl ZINC001275080210 1011901537 /nfs/dbraw/zinc/90/15/37/1011901537.db2.gz ZSZFGIHOBWSQOG-QGZVFWFLSA-N 1 3 363.933 2.928 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001172628773 1011903026 /nfs/dbraw/zinc/90/30/26/1011903026.db2.gz YKBQBXJOPIBCBT-QWFCFKBJSA-N 1 3 352.519 2.541 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001172628773 1011903031 /nfs/dbraw/zinc/90/30/31/1011903031.db2.gz YKBQBXJOPIBCBT-QWFCFKBJSA-N 1 3 352.519 2.541 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221968136 1032592901 /nfs/dbraw/zinc/59/29/01/1032592901.db2.gz FXCPPCYPVOBMSZ-FGZHOGPDSA-N 1 3 369.553 2.940 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001221968136 1032592910 /nfs/dbraw/zinc/59/29/10/1032592910.db2.gz FXCPPCYPVOBMSZ-FGZHOGPDSA-N 1 3 369.553 2.940 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001172781713 1012012229 /nfs/dbraw/zinc/01/22/29/1012012229.db2.gz YDOFJBWIZCPGCH-ZWKOTPCHSA-N 1 3 352.519 2.589 20 0 FFADHO CO[C@H]1CCC[C@@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)C1 ZINC001172942399 1012118633 /nfs/dbraw/zinc/11/86/33/1012118633.db2.gz OYWFNEXEXXIQFU-RTWAWAEBSA-N 1 3 373.541 2.954 20 0 FFADHO CC[N@@H+]1CC[C@@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001173359655 1012491114 /nfs/dbraw/zinc/49/11/14/1012491114.db2.gz FPWBRPYDQXODHG-RTBURBONSA-N 1 3 364.484 2.709 20 0 FFADHO CC[N@H+]1CC[C@@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001173359655 1012491120 /nfs/dbraw/zinc/49/11/20/1012491120.db2.gz FPWBRPYDQXODHG-RTBURBONSA-N 1 3 364.484 2.709 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCCC[C@@]12CC(=O)N(CCC(F)(F)F)C2 ZINC001275508226 1012558327 /nfs/dbraw/zinc/55/83/27/1012558327.db2.gz PPXUQKQPROCNEP-KRWDZBQOSA-N 1 3 363.468 2.984 20 0 FFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(=O)OCc3ccccc3)CC2)C1 ZINC001173463424 1012633156 /nfs/dbraw/zinc/63/31/56/1012633156.db2.gz HTJGLRWVJVFPOJ-RTWAWAEBSA-N 1 3 373.541 2.657 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000647976059 1012650876 /nfs/dbraw/zinc/65/08/76/1012650876.db2.gz JQDMHSNIRGUOFJ-ONTIZHBOSA-N 1 3 355.526 2.966 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc2ccccc21 ZINC001275603813 1012686994 /nfs/dbraw/zinc/68/69/94/1012686994.db2.gz ACEKZKJONQDPKJ-NHCUHLMSSA-N 1 3 351.494 2.967 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc2ccccc21 ZINC001275603813 1012686999 /nfs/dbraw/zinc/68/69/99/1012686999.db2.gz ACEKZKJONQDPKJ-NHCUHLMSSA-N 1 3 351.494 2.967 20 0 FFADHO C[N@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173757643 1012947171 /nfs/dbraw/zinc/94/71/71/1012947171.db2.gz ABYFEVCHDVPQFX-VQTJNVASSA-N 1 3 354.502 2.753 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173757643 1012947180 /nfs/dbraw/zinc/94/71/80/1012947180.db2.gz ABYFEVCHDVPQFX-VQTJNVASSA-N 1 3 354.502 2.753 20 0 FFADHO CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)cc1 ZINC001275755863 1012964691 /nfs/dbraw/zinc/96/46/91/1012964691.db2.gz CWQNHZRMHIFYHJ-NHCUHLMSSA-N 1 3 357.542 2.979 20 0 FFADHO CC(C)c1ccc(CC[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)cc1 ZINC001275755863 1012964706 /nfs/dbraw/zinc/96/47/06/1012964706.db2.gz CWQNHZRMHIFYHJ-NHCUHLMSSA-N 1 3 357.542 2.979 20 0 FFADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000924879754 1017528679 /nfs/dbraw/zinc/52/86/79/1017528679.db2.gz VODGEGAQMWOGTR-UFRUDQCGSA-N 1 3 350.466 2.764 20 0 FFADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000924879754 1017528693 /nfs/dbraw/zinc/52/86/93/1017528693.db2.gz VODGEGAQMWOGTR-UFRUDQCGSA-N 1 3 350.466 2.764 20 0 FFADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925561400 1017787180 /nfs/dbraw/zinc/78/71/80/1017787180.db2.gz BKHXDRALVSGBNU-YXJHDRRASA-N 1 3 359.514 2.901 20 0 FFADHO C[C@@H]1[C@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCCN1Cc1ccccc1 ZINC000925801253 1017852259 /nfs/dbraw/zinc/85/22/59/1017852259.db2.gz XJOHHGMNEJRVHQ-HMXCVIKNSA-N 1 3 357.542 2.788 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@]4(C3)CCCC[NH2+]4)cc2)CC1 ZINC000925912603 1017898218 /nfs/dbraw/zinc/89/82/18/1017898218.db2.gz ARCRTQCDCLJWAW-NRFANRHFSA-N 1 3 371.529 2.578 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000680308265 1017915271 /nfs/dbraw/zinc/91/52/71/1017915271.db2.gz JGUBJHKMFZXXJI-PWRODBHTSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000680308265 1017915280 /nfs/dbraw/zinc/91/52/80/1017915280.db2.gz JGUBJHKMFZXXJI-PWRODBHTSA-N 1 3 370.541 2.634 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)CC1 ZINC001097778899 1017918768 /nfs/dbraw/zinc/91/87/68/1017918768.db2.gz AGQRKGXHSCBHAV-NRSPTQNISA-N 1 3 366.509 2.731 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1C ZINC001097779735 1017920989 /nfs/dbraw/zinc/92/09/89/1017920989.db2.gz VXBIEPWXJUWBMO-NJYVYQBISA-N 1 3 355.526 2.867 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000749066359 1018024314 /nfs/dbraw/zinc/02/43/14/1018024314.db2.gz FUQXBAJDTMYJBC-GOSISDBHSA-N 1 3 358.530 2.989 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000749115541 1018181382 /nfs/dbraw/zinc/18/13/82/1018181382.db2.gz YRTQAWIUCYOGQG-AEFFLSMTSA-N 1 3 374.460 2.512 20 0 FFADHO O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000749115541 1018181391 /nfs/dbraw/zinc/18/13/91/1018181391.db2.gz YRTQAWIUCYOGQG-AEFFLSMTSA-N 1 3 374.460 2.512 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000927001268 1018319390 /nfs/dbraw/zinc/31/93/90/1018319390.db2.gz HYQVFYUOAKIYEZ-KSZLIROESA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000927001268 1018319400 /nfs/dbraw/zinc/31/94/00/1018319400.db2.gz HYQVFYUOAKIYEZ-KSZLIROESA-N 1 3 369.550 2.722 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)ccc1OC ZINC000927152906 1018382585 /nfs/dbraw/zinc/38/25/85/1018382585.db2.gz WKVSDKZHGBFBIF-YJBOKZPZSA-N 1 3 371.529 2.874 20 0 FFADHO C[N@H+](C[C@H]1OCCc2ccccc21)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711991 1018574318 /nfs/dbraw/zinc/57/43/18/1018574318.db2.gz WSAPALWXJCSUIH-DHIUTWEWSA-N 1 3 366.505 2.869 20 0 FFADHO C[N@@H+](C[C@H]1OCCc2ccccc21)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000681711991 1018574327 /nfs/dbraw/zinc/57/43/27/1018574327.db2.gz WSAPALWXJCSUIH-DHIUTWEWSA-N 1 3 366.505 2.869 20 0 FFADHO CN(Cc1ccc2[nH]cnc2c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681755553 1018587627 /nfs/dbraw/zinc/58/76/27/1018587627.db2.gz HKZQTONXORUUTQ-NRFANRHFSA-N 1 3 350.466 2.632 20 0 FFADHO CN(Cc1ccc2[nH]cnc2c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681755553 1018587637 /nfs/dbraw/zinc/58/76/37/1018587637.db2.gz HKZQTONXORUUTQ-NRFANRHFSA-N 1 3 350.466 2.632 20 0 FFADHO CN(Cc1ccc2nc[nH]c2c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681755553 1018587649 /nfs/dbraw/zinc/58/76/49/1018587649.db2.gz HKZQTONXORUUTQ-NRFANRHFSA-N 1 3 350.466 2.632 20 0 FFADHO CN(Cc1ccc2nc[nH]c2c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681755553 1018587661 /nfs/dbraw/zinc/58/76/61/1018587661.db2.gz HKZQTONXORUUTQ-NRFANRHFSA-N 1 3 350.466 2.632 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3cc[nH]c3c2)CC1 ZINC001110956442 1019223460 /nfs/dbraw/zinc/22/34/60/1019223460.db2.gz JDHOMAFFGPSPEV-RLLQIKCJSA-N 1 3 366.509 2.731 20 0 FFADHO Cc1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)nn1 ZINC000929809174 1019666983 /nfs/dbraw/zinc/66/69/83/1019666983.db2.gz KLRCGBWDDAPJFY-UHFFFAOYSA-N 1 3 359.562 2.722 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCc3ccccc3F)CC2)CC[N@@H+]1C ZINC001045443490 1019970144 /nfs/dbraw/zinc/97/01/44/1019970144.db2.gz PUNHFDUEEDNPRA-SJLPKXTDSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(CCc3ccccc3F)CC2)CC[N@H+]1C ZINC001045443490 1019970151 /nfs/dbraw/zinc/97/01/51/1019970151.db2.gz PUNHFDUEEDNPRA-SJLPKXTDSA-N 1 3 361.505 2.679 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]32)O1 ZINC001217809463 1032877105 /nfs/dbraw/zinc/87/71/05/1032877105.db2.gz RMWNITLLJGBUMC-BPBCIEFSSA-N 1 3 374.525 2.592 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC000902430750 1020195541 /nfs/dbraw/zinc/19/55/41/1020195541.db2.gz DNLPXFISQKAQOI-DGZYCVBISA-N 1 3 370.484 2.738 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1 ZINC001096355724 1020206143 /nfs/dbraw/zinc/20/61/43/1020206143.db2.gz BMMGZVQXQCUAQN-AABGKKOBSA-N 1 3 353.510 2.566 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(CO[C@@H]2CC[NH2+]C[C@@H]2F)O1 ZINC001217846147 1032887628 /nfs/dbraw/zinc/88/76/28/1032887628.db2.gz PKNTVAKOYVFYJP-NSHGMRRFSA-N 1 3 350.478 2.773 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4c(c3)COC4)C2)CC[N@@H+]1C ZINC001046330729 1020594239 /nfs/dbraw/zinc/59/42/39/1020594239.db2.gz RKHIOCKPPDDELA-VWPQPMDRSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4c(c3)COC4)C2)CC[N@H+]1C ZINC001046330729 1020594245 /nfs/dbraw/zinc/59/42/45/1020594245.db2.gz RKHIOCKPPDDELA-VWPQPMDRSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[NH+](CC)CC ZINC001111018333 1020606350 /nfs/dbraw/zinc/60/63/50/1020606350.db2.gz RAXXEXQTVDIHNI-VQHPVUNQSA-N 1 3 357.489 2.874 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001098217834 1020738602 /nfs/dbraw/zinc/73/86/02/1020738602.db2.gz LJNOWARZIJTEOW-OTNPHJDUSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098217834 1020738611 /nfs/dbraw/zinc/73/86/11/1020738611.db2.gz LJNOWARZIJTEOW-OTNPHJDUSA-N 1 3 355.526 2.812 20 0 FFADHO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000903214471 1020746338 /nfs/dbraw/zinc/74/63/38/1020746338.db2.gz AMWZQENGQOQFQC-IVAOSVALSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460492 1021162844 /nfs/dbraw/zinc/16/28/44/1021162844.db2.gz VZHZWLAUWGLWFP-NRSPTQNISA-N 1 3 373.541 2.898 20 0 FFADHO CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460492 1021162849 /nfs/dbraw/zinc/16/28/49/1021162849.db2.gz VZHZWLAUWGLWFP-NRSPTQNISA-N 1 3 373.541 2.898 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCOC(C)C)CC[N@@H+]1C ZINC001099084529 1021747319 /nfs/dbraw/zinc/74/73/19/1021747319.db2.gz AUPIFVRMLHOCEJ-CEXWTWQISA-N 1 3 367.578 2.749 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCOC(C)C)CC[N@H+]1C ZINC001099084529 1021747333 /nfs/dbraw/zinc/74/73/33/1021747333.db2.gz AUPIFVRMLHOCEJ-CEXWTWQISA-N 1 3 367.578 2.749 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(Cc2cccc(F)c2)C3)C1 ZINC001099118773 1021852106 /nfs/dbraw/zinc/85/21/06/1021852106.db2.gz BCNSMCCCBKTVSW-WFXMLNOXSA-N 1 3 359.489 2.638 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(Cc2cccc(F)c2)C3)C1 ZINC001099118773 1021852117 /nfs/dbraw/zinc/85/21/17/1021852117.db2.gz BCNSMCCCBKTVSW-WFXMLNOXSA-N 1 3 359.489 2.638 20 0 FFADHO S=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000145622556 1021904530 /nfs/dbraw/zinc/90/45/30/1021904530.db2.gz VLKJRSRKMOWXKL-VQTJNVASSA-N 1 3 372.582 2.742 20 0 FFADHO S=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000145622556 1021904535 /nfs/dbraw/zinc/90/45/35/1021904535.db2.gz VLKJRSRKMOWXKL-VQTJNVASSA-N 1 3 372.582 2.742 20 0 FFADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000145669554 1022019565 /nfs/dbraw/zinc/01/95/65/1022019565.db2.gz DUBDGFBMIWGYMP-SFHVURJKSA-N 1 3 374.598 2.990 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118025390 1022026473 /nfs/dbraw/zinc/02/64/73/1022026473.db2.gz NQDKSJOSWHRUSL-HXUWFJFHSA-N 1 3 370.541 2.999 20 0 FFADHO Cc1ccc(-c2cccc(C[N@@H+]3CC4(CNC4)[C@@]4(CCNC4=O)C3)c2)cc1 ZINC001222527051 1033032179 /nfs/dbraw/zinc/03/21/79/1033032179.db2.gz HSSQQXJTUWEMER-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1ccc(-c2cccc(C[N@H+]3CC4(CNC4)[C@@]4(CCNC4=O)C3)c2)cc1 ZINC001222527051 1033032191 /nfs/dbraw/zinc/03/21/91/1033032191.db2.gz HSSQQXJTUWEMER-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO COc1ccc(CC[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1OC ZINC001222596155 1033061536 /nfs/dbraw/zinc/06/15/36/1033061536.db2.gz QWHLXSRIRPZFRK-LJQANCHMSA-N 1 3 352.478 2.935 20 0 FFADHO COc1ccc(CC[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1OC ZINC001222596155 1033061549 /nfs/dbraw/zinc/06/15/49/1033061549.db2.gz QWHLXSRIRPZFRK-LJQANCHMSA-N 1 3 352.478 2.935 20 0 FFADHO Cc1cccnc1CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040210160 1022806364 /nfs/dbraw/zinc/80/63/64/1022806364.db2.gz PAACOMYVPSJEJM-WOIUINJBSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cccnc1CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210160 1022806373 /nfs/dbraw/zinc/80/63/73/1022806373.db2.gz PAACOMYVPSJEJM-WOIUINJBSA-N 1 3 370.541 2.545 20 0 FFADHO CN(C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC001119969336 1023187160 /nfs/dbraw/zinc/18/71/60/1023187160.db2.gz BFRRYYJMCXYOCJ-CTNGQTDRSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC001119969336 1023187164 /nfs/dbraw/zinc/18/71/64/1023187164.db2.gz BFRRYYJMCXYOCJ-CTNGQTDRSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@@H](C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)N(CC)CC ZINC000753120849 1023274017 /nfs/dbraw/zinc/27/40/17/1023274017.db2.gz HDXRFQLXXBJSII-IBGZPJMESA-N 1 3 361.530 2.875 20 0 FFADHO CC[C@@H](C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)N(CC)CC ZINC000753120849 1023274029 /nfs/dbraw/zinc/27/40/29/1023274029.db2.gz HDXRFQLXXBJSII-IBGZPJMESA-N 1 3 361.530 2.875 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001120476201 1023335333 /nfs/dbraw/zinc/33/53/33/1023335333.db2.gz UPGUJEIKLKLTPU-MRXNPFEDSA-N 1 3 362.543 2.716 20 0 FFADHO CCN(C(=O)NC1CC2(CC([NH3+])C2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001120677514 1023417381 /nfs/dbraw/zinc/41/73/81/1023417381.db2.gz RJYMUDKNBOKCDK-FCOWATRHSA-N 1 3 356.514 2.562 20 0 FFADHO CC(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001122747951 1023446513 /nfs/dbraw/zinc/44/65/13/1023446513.db2.gz PBMQVNFYIZRFCD-UHFFFAOYSA-N 1 3 362.566 2.664 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000829422314 1033149398 /nfs/dbraw/zinc/14/93/98/1033149398.db2.gz APQUEHJPSHQXTK-WOJBJXKFSA-N 1 3 356.514 2.782 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000829422314 1033149404 /nfs/dbraw/zinc/14/94/04/1033149404.db2.gz APQUEHJPSHQXTK-WOJBJXKFSA-N 1 3 356.514 2.782 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ncccc1OCc1ccccc1 ZINC001218496758 1033183872 /nfs/dbraw/zinc/18/38/72/1033183872.db2.gz ZMQUFYNJPYVTOK-KRWDZBQOSA-N 1 3 356.470 2.658 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001121889534 1024140194 /nfs/dbraw/zinc/14/01/94/1024140194.db2.gz GOGWNXQFNZDMIX-KRWDZBQOSA-N 1 3 360.550 2.562 20 0 FFADHO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)c(CN(C)C)c1 ZINC001121924314 1024174609 /nfs/dbraw/zinc/17/46/09/1024174609.db2.gz ZYQTYBYTLIEVLH-QGZVFWFLSA-N 1 3 366.465 2.521 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cc21 ZINC001122131142 1024368319 /nfs/dbraw/zinc/36/83/19/1024368319.db2.gz YKRKWDAACAKIRB-QGZVFWFLSA-N 1 3 353.470 2.915 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001122143382 1024379632 /nfs/dbraw/zinc/37/96/32/1024379632.db2.gz KUHIMOHNIVSTIB-GOSISDBHSA-N 1 3 369.534 2.783 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c(s2)CNCC3)C1 ZINC001122143382 1024379644 /nfs/dbraw/zinc/37/96/44/1024379644.db2.gz KUHIMOHNIVSTIB-GOSISDBHSA-N 1 3 369.534 2.783 20 0 FFADHO CC(C)CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222929797 1033209461 /nfs/dbraw/zinc/20/94/61/1033209461.db2.gz NORLQWUKMNUDKF-AABGKKOBSA-N 1 3 367.578 2.558 20 0 FFADHO CC(C)CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222929797 1033209476 /nfs/dbraw/zinc/20/94/76/1033209476.db2.gz NORLQWUKMNUDKF-AABGKKOBSA-N 1 3 367.578 2.558 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@]2(C)C1 ZINC001101344827 1024506853 /nfs/dbraw/zinc/50/68/53/1024506853.db2.gz GBRYBPFQLRNSAD-XLIONFOSSA-N 1 3 363.933 2.962 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001101435425 1024734273 /nfs/dbraw/zinc/73/42/73/1024734273.db2.gz OMYZKBGTFHRTOP-NQIIRXRSSA-N 1 3 361.505 2.838 20 0 FFADHO O=C1[C@H]2CCCCC[C@H]2N1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779877314 1025182349 /nfs/dbraw/zinc/18/23/49/1025182349.db2.gz MFLWSEJRYBDMGJ-VQTJNVASSA-N 1 3 363.546 2.559 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c1 ZINC001102046045 1025349858 /nfs/dbraw/zinc/34/98/58/1025349858.db2.gz JIRDCMYPPRJEPL-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c1 ZINC001102046045 1025349874 /nfs/dbraw/zinc/34/98/74/1025349874.db2.gz JIRDCMYPPRJEPL-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048602 1025357839 /nfs/dbraw/zinc/35/78/39/1025357839.db2.gz IARXEOVCOGJSHY-ZPMCFJSWSA-N 1 3 371.569 2.816 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048602 1025357852 /nfs/dbraw/zinc/35/78/52/1025357852.db2.gz IARXEOVCOGJSHY-ZPMCFJSWSA-N 1 3 371.569 2.816 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1C)N(C)C ZINC001102085866 1025410958 /nfs/dbraw/zinc/41/09/58/1025410958.db2.gz FQMXXJIAVLYTBM-SZVBFZGTSA-N 1 3 357.498 2.957 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C)N(C)C ZINC001102085866 1025410964 /nfs/dbraw/zinc/41/09/64/1025410964.db2.gz FQMXXJIAVLYTBM-SZVBFZGTSA-N 1 3 357.498 2.957 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC([NH2+]C(C)C)CC3)C2)cc1 ZINC000637723250 1025549023 /nfs/dbraw/zinc/54/90/23/1025549023.db2.gz MVSSOINLQWKARB-FQEVSTJZSA-N 1 3 358.530 2.741 20 0 FFADHO CC(C)CC[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000638115854 1025709206 /nfs/dbraw/zinc/70/92/06/1025709206.db2.gz JXTARHPVIOSRJI-MJGOQNOKSA-N 1 3 361.530 2.766 20 0 FFADHO CCCCNC(=O)c1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1 ZINC000638363030 1025803262 /nfs/dbraw/zinc/80/32/62/1025803262.db2.gz OBTOTVZDSKDPKV-UHFFFAOYSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1C)N(C)C ZINC001102378423 1025848415 /nfs/dbraw/zinc/84/84/15/1025848415.db2.gz VOIQIWLQFWSDLE-OGWOLHLISA-N 1 3 367.484 2.532 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1C)N(C)C ZINC001102378423 1025848430 /nfs/dbraw/zinc/84/84/30/1025848430.db2.gz VOIQIWLQFWSDLE-OGWOLHLISA-N 1 3 367.484 2.532 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1C ZINC001102472087 1026038495 /nfs/dbraw/zinc/03/84/95/1026038495.db2.gz HMNHGMYXFBVBJN-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1C ZINC001102472087 1026038514 /nfs/dbraw/zinc/03/85/14/1026038514.db2.gz HMNHGMYXFBVBJN-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC001102473636 1026048226 /nfs/dbraw/zinc/04/82/26/1026048226.db2.gz JKIHIXGCFHPMEV-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC001102473636 1026048238 /nfs/dbraw/zinc/04/82/38/1026048238.db2.gz JKIHIXGCFHPMEV-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CN1CCN(CCC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638850889 1026048750 /nfs/dbraw/zinc/04/87/50/1026048750.db2.gz IHLQKXAEOWRUTA-RBBKRZOGSA-N 1 3 356.558 2.582 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)cc1 ZINC001102532151 1026244268 /nfs/dbraw/zinc/24/42/68/1026244268.db2.gz WLHDBXDVVZWNTD-DNVCBOLYSA-N 1 3 354.498 2.707 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@H](C)C2)cc1 ZINC001102532151 1026244273 /nfs/dbraw/zinc/24/42/73/1026244273.db2.gz WLHDBXDVVZWNTD-DNVCBOLYSA-N 1 3 354.498 2.707 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1C ZINC001102532333 1026246378 /nfs/dbraw/zinc/24/63/78/1026246378.db2.gz HOPWVZRAIWIUPI-YLJYHZDGSA-N 1 3 368.525 2.886 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@H]1C ZINC001102532333 1026246384 /nfs/dbraw/zinc/24/63/84/1026246384.db2.gz HOPWVZRAIWIUPI-YLJYHZDGSA-N 1 3 368.525 2.886 20 0 FFADHO O=c1c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cccn1C(F)F ZINC000639312287 1026276086 /nfs/dbraw/zinc/27/60/86/1026276086.db2.gz VESCTXGMLLGZEV-UHFFFAOYSA-N 1 3 362.424 2.640 20 0 FFADHO CCCn1nccc1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000639589059 1026385208 /nfs/dbraw/zinc/38/52/08/1026385208.db2.gz JCPHOIQOTHMQSP-PKOBYXMFSA-N 1 3 369.513 2.732 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600509 1026401268 /nfs/dbraw/zinc/40/12/68/1026401268.db2.gz IPIPZIVYGUEAPF-WIYYLYMNSA-N 1 3 359.558 2.816 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600509 1026401273 /nfs/dbraw/zinc/40/12/73/1026401273.db2.gz IPIPZIVYGUEAPF-WIYYLYMNSA-N 1 3 359.558 2.816 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C)[NH+]1CCCCC1 ZINC001102601601 1026403342 /nfs/dbraw/zinc/40/33/42/1026403342.db2.gz JKYNXRRSPLFFQE-CBETYXLMSA-N 1 3 355.954 2.934 20 0 FFADHO CSc1ccc(OC[C@@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639684754 1026433455 /nfs/dbraw/zinc/43/34/55/1026433455.db2.gz XPSPSJHSXUCSKV-SFHVURJKSA-N 1 3 373.522 2.756 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc4c3CCOC4)CC2)CC1 ZINC000639686611 1026433911 /nfs/dbraw/zinc/43/39/11/1026433911.db2.gz NPNIGNMKKUZIJC-UHFFFAOYSA-N 1 3 357.542 2.751 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc4c3CCOC4)CC2)CC1 ZINC000639686611 1026433916 /nfs/dbraw/zinc/43/39/16/1026433916.db2.gz NPNIGNMKKUZIJC-UHFFFAOYSA-N 1 3 357.542 2.751 20 0 FFADHO COc1ccc([C@@H](NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)C2CC2)cc1 ZINC000639759745 1026458983 /nfs/dbraw/zinc/45/89/83/1026458983.db2.gz IKPXYWOBXGPQFP-NRFANRHFSA-N 1 3 371.525 2.680 20 0 FFADHO C[C@@H]1CN(C[C@@H](C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c2ccccc2)C[C@@H](C)C1O ZINC000639813402 1026479875 /nfs/dbraw/zinc/47/98/75/1026479875.db2.gz HZIMKULXXGOMTI-OVRIRFDVSA-N 1 3 374.569 2.668 20 0 FFADHO C[C@@H]1CN(C[C@@H](C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c2ccccc2)C[C@@H](C)C1O ZINC000639813402 1026479881 /nfs/dbraw/zinc/47/98/81/1026479881.db2.gz HZIMKULXXGOMTI-OVRIRFDVSA-N 1 3 374.569 2.668 20 0 FFADHO C[C@@H]1C[NH+](C[C@@H](CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)c2ccccc2)C[C@@H](C)C1O ZINC000639813402 1026479887 /nfs/dbraw/zinc/47/98/87/1026479887.db2.gz HZIMKULXXGOMTI-OVRIRFDVSA-N 1 3 374.569 2.668 20 0 FFADHO O=C1OCCN1C[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000839614118 1026759455 /nfs/dbraw/zinc/75/94/55/1026759455.db2.gz PLRGKDBKAVNCBH-FQEVSTJZSA-N 1 3 357.498 2.947 20 0 FFADHO CN1CCC(N(c2nnc(Cl)c3c2CCCC3)C2CC[NH2+]CC2)CC1 ZINC001158580354 1027065609 /nfs/dbraw/zinc/06/56/09/1027065609.db2.gz FHEUWYIQHVWXNZ-UHFFFAOYSA-N 1 3 363.937 2.661 20 0 FFADHO Fc1cc(Nc2nccnc2N2CC[NH2+]CC2)ccc1CN1CCCCC1 ZINC001159175643 1027296421 /nfs/dbraw/zinc/29/64/21/1027296421.db2.gz BQRHHNMUSMHQLB-UHFFFAOYSA-N 1 3 370.476 2.755 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001103408887 1027420690 /nfs/dbraw/zinc/42/06/90/1027420690.db2.gz ZMHPKFQKXPVRHX-KBAYOESNSA-N 1 3 351.560 2.909 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001103408887 1027420694 /nfs/dbraw/zinc/42/06/94/1027420694.db2.gz ZMHPKFQKXPVRHX-KBAYOESNSA-N 1 3 351.560 2.909 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001103436151 1027480205 /nfs/dbraw/zinc/48/02/05/1027480205.db2.gz MWXRHEQYEDVOFX-FRQCXROJSA-N 1 3 363.571 2.973 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001103436151 1027480215 /nfs/dbraw/zinc/48/02/15/1027480215.db2.gz MWXRHEQYEDVOFX-FRQCXROJSA-N 1 3 363.571 2.973 20 0 FFADHO COC(=O)c1cccc([C@@H](C)Nc2cccc(N3CCC([NH3+])CC3)n2)c1 ZINC001159958023 1027544487 /nfs/dbraw/zinc/54/44/87/1027544487.db2.gz BAJBLVYQGSYRQR-CQSZACIVSA-N 1 3 354.454 2.969 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001103550441 1027666275 /nfs/dbraw/zinc/66/62/75/1027666275.db2.gz QMOACFQILTVNLD-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001103550441 1027666280 /nfs/dbraw/zinc/66/62/80/1027666280.db2.gz QMOACFQILTVNLD-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(Cc1cccnc1)Cc1ccccn1 ZINC001160448947 1027710595 /nfs/dbraw/zinc/71/05/95/1027710595.db2.gz QVTRUJCPGNGZBZ-FQEVSTJZSA-N 1 3 369.513 2.501 20 0 FFADHO CC(C)(C[NH3+])c1cn(-c2nc(Cl)nc3c2CNCC3)c2ccccc12 ZINC001160842079 1027898008 /nfs/dbraw/zinc/89/80/08/1027898008.db2.gz BLOTZTMGVFXPCN-UHFFFAOYSA-N 1 3 355.873 2.956 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)CC2CC[NH2+]CC2)cc1 ZINC001160955807 1027943150 /nfs/dbraw/zinc/94/31/50/1027943150.db2.gz HRIIRAJTPPRHCG-HXUWFJFHSA-N 1 3 373.541 2.898 20 0 FFADHO [NH3+][C@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC(F)(F)C1 ZINC001160970796 1027954915 /nfs/dbraw/zinc/95/49/15/1027954915.db2.gz CFCZYSGCTNNYSB-GDBMZVCRSA-N 1 3 371.859 2.747 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000643379260 1027956157 /nfs/dbraw/zinc/95/61/57/1027956157.db2.gz RPHLZCRDKONEGD-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000643379260 1027956160 /nfs/dbraw/zinc/95/61/60/1027956160.db2.gz RPHLZCRDKONEGD-WOJBJXKFSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)(C)C(=O)CN1CCC(Nc2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001161119516 1028020240 /nfs/dbraw/zinc/02/02/40/1028020240.db2.gz BASUIKSAJMIUNP-UHFFFAOYSA-N 1 3 373.545 2.501 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)C1 ZINC001154047725 1028127017 /nfs/dbraw/zinc/12/70/17/1028127017.db2.gz IOVDLVOWFAGMRW-FUHWJXTLSA-N 1 3 373.541 2.875 20 0 FFADHO CCN(C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001161332561 1028135989 /nfs/dbraw/zinc/13/59/89/1028135989.db2.gz OGHPRLFKURCBPB-SFTDATJTSA-N 1 3 351.494 2.824 20 0 FFADHO O=C([C@H]1CC[C@@H](C(F)(F)F)CN1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424834 1028164591 /nfs/dbraw/zinc/16/45/91/1028164591.db2.gz OFBMYZUSVNUGQM-NVXWUHKLSA-N 1 3 369.431 2.698 20 0 FFADHO C[NH+]1CCC(N(C(=O)[C@@H](N)C2Cc3ccccc3C2)C2CCCC2)CC1 ZINC001161453415 1028184032 /nfs/dbraw/zinc/18/40/32/1028184032.db2.gz HFBBQYNPHAOKOP-NRFANRHFSA-N 1 3 355.526 2.594 20 0 FFADHO c1ccc(CC2(Nc3ncccc3CN3CCCC3)CC[NH2+]CC2)nc1 ZINC001161496314 1028200419 /nfs/dbraw/zinc/20/04/19/1028200419.db2.gz HWCVCFIDTMPLCH-UHFFFAOYSA-N 1 3 351.498 2.849 20 0 FFADHO [NH3+]C1CCN(c2cccc(NCC3(c4ccncc4)CCOCC3)n2)CC1 ZINC001162168891 1028458269 /nfs/dbraw/zinc/45/82/69/1028458269.db2.gz RNGSEIZPLYMUAB-UHFFFAOYSA-N 1 3 367.497 2.564 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000644632241 1028595410 /nfs/dbraw/zinc/59/54/10/1028595410.db2.gz HHCDYRSEKWUEEI-QAPCUYQASA-N 1 3 374.447 2.699 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000644632241 1028595422 /nfs/dbraw/zinc/59/54/22/1028595422.db2.gz HHCDYRSEKWUEEI-QAPCUYQASA-N 1 3 374.447 2.699 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001162777207 1028652388 /nfs/dbraw/zinc/65/23/88/1028652388.db2.gz NSGINERNPAFCST-AWEZNQCLSA-N 1 3 363.465 2.609 20 0 FFADHO Clc1nc2c(c(-n3c4ccccc4nc3C3CC[NH2+]CC3)n1)CCNC2 ZINC001163760689 1029051303 /nfs/dbraw/zinc/05/13/03/1029051303.db2.gz WYMQMWDNTDOGRS-UHFFFAOYSA-N 1 3 368.872 2.582 20 0 FFADHO O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421449 1029826027 /nfs/dbraw/zinc/82/60/27/1029826027.db2.gz DVIXKJLIHQCJRQ-NHCUHLMSSA-N 1 3 361.489 2.671 20 0 FFADHO CCOCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000782969408 1029867847 /nfs/dbraw/zinc/86/78/47/1029867847.db2.gz QKSJIYHJYMQUPV-OAQYLSRUSA-N 1 3 370.493 2.916 20 0 FFADHO CCOCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000782969408 1029867851 /nfs/dbraw/zinc/86/78/51/1029867851.db2.gz QKSJIYHJYMQUPV-OAQYLSRUSA-N 1 3 370.493 2.916 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(CC3(C[NH3+])CC3)CC2)C1 ZINC000841103473 1030039069 /nfs/dbraw/zinc/03/90/69/1030039069.db2.gz WPJFFEGQOWEHLK-DLBZAZTESA-N 1 3 367.534 2.510 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166061 1030130014 /nfs/dbraw/zinc/13/00/14/1030130014.db2.gz BWWVMAJFNBMEMR-ARFHVFGLSA-N 1 3 363.468 2.886 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212248 1030256698 /nfs/dbraw/zinc/25/66/98/1030256698.db2.gz VKWWGBAGMYFNOV-HUUCEWRRSA-N 1 3 351.457 2.886 20 0 FFADHO Cn1cc(CN2CCCC23CC[NH+](Cc2cccc4[nH]cnc42)CC3)cn1 ZINC001142679401 1030714868 /nfs/dbraw/zinc/71/48/68/1030714868.db2.gz DUIITDVXSRTYNG-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cccc4[nH]cnc42)CC3)cn1 ZINC001142679401 1030714882 /nfs/dbraw/zinc/71/48/82/1030714882.db2.gz DUIITDVXSRTYNG-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO Cn1cc(C[N@H+]2CCCC23CCN(Cc2cccc4[nH]cnc42)CC3)cn1 ZINC001142679401 1030714896 /nfs/dbraw/zinc/71/48/96/1030714896.db2.gz DUIITDVXSRTYNG-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO Cn1cc(CN2CCCC23CC[NH+](Cc2cccc4nc[nH]c42)CC3)cn1 ZINC001142679401 1030714914 /nfs/dbraw/zinc/71/49/14/1030714914.db2.gz DUIITDVXSRTYNG-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000796797869 1030920850 /nfs/dbraw/zinc/92/08/50/1030920850.db2.gz JDHYPYMOCHQFGZ-PNKHAZJDSA-N 1 3 369.550 2.767 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC001203911075 1030973809 /nfs/dbraw/zinc/97/38/09/1030973809.db2.gz DJOXHQINGQZVCA-UHFFFAOYSA-N 1 3 366.347 2.909 20 0 FFADHO CC(=O)Nc1ccc(CN2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203924684 1030982208 /nfs/dbraw/zinc/98/22/08/1030982208.db2.gz QIOYTWSMEONZEO-OALUTQOASA-N 1 3 350.466 2.604 20 0 FFADHO COC(=O)Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142909226 1031037577 /nfs/dbraw/zinc/03/75/77/1031037577.db2.gz TWFNHCWXIGCLFQ-VXKWHMMOSA-N 1 3 364.489 2.966 20 0 FFADHO Cc1cc(C)cc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000843085267 1031178423 /nfs/dbraw/zinc/17/84/23/1031178423.db2.gz WFGOBXKMGCHCOI-XPWALMASSA-N 1 3 368.521 2.809 20 0 FFADHO Cc1cc(C)cc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000843085267 1031178425 /nfs/dbraw/zinc/17/84/25/1031178425.db2.gz WFGOBXKMGCHCOI-XPWALMASSA-N 1 3 368.521 2.809 20 0 FFADHO CC[NH2+]CC1CCN(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 ZINC000843352673 1031344192 /nfs/dbraw/zinc/34/41/92/1031344192.db2.gz JNYKWXQSSYLRBG-UHFFFAOYSA-N 1 3 357.454 2.573 20 0 FFADHO C[C@]1(C[NH2+][C@H](Cc2ccccc2)C(N)=O)CCN(Cc2ccccc2)C1 ZINC000798395399 1031388135 /nfs/dbraw/zinc/38/81/35/1031388135.db2.gz DPKCXPJXTVLFSV-IFMALSPDSA-N 1 3 351.494 2.585 20 0 FFADHO COc1cc(OCc2ccccc2)ccc1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205228043 1031609596 /nfs/dbraw/zinc/60/95/96/1031609596.db2.gz AWEXMUVMVLECHQ-JOCHJYFZSA-N 1 3 370.493 2.950 20 0 FFADHO [NH3+]C[C@@]1(O)CCCN(Cc2c[nH]c3c2cccc3Br)CC1 ZINC001205240832 1031621223 /nfs/dbraw/zinc/62/12/23/1031621223.db2.gz OJCWCXUXHCUQPM-MRXNPFEDSA-N 1 3 352.276 2.606 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177239 1031682827 /nfs/dbraw/zinc/68/28/27/1031682827.db2.gz MZGBRDUHRHIXCI-KRWDZBQOSA-N 1 3 361.505 2.980 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205434263 1031741887 /nfs/dbraw/zinc/74/18/87/1031741887.db2.gz CCGKQEJUOKNGCY-FFZOFVMBSA-N 1 3 361.505 2.852 20 0 FFADHO Cc1c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1-c1ccccc1 ZINC000799726964 1031868116 /nfs/dbraw/zinc/86/81/16/1031868116.db2.gz UBQVPXPVZVRGJH-QGZVFWFLSA-N 1 3 355.530 2.857 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1F ZINC001205654255 1031909092 /nfs/dbraw/zinc/90/90/92/1031909092.db2.gz YSPJNRBVLODTBA-XKGZKEIXSA-N 1 3 361.505 2.852 20 0 FFADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc3cc(Br)cnc3c2)C1 ZINC001205726279 1031956434 /nfs/dbraw/zinc/95/64/34/1031956434.db2.gz SGGBHBMZYYNEGP-QGZVFWFLSA-N 1 3 364.287 2.673 20 0 FFADHO Cc1cnccc1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001205851360 1032033580 /nfs/dbraw/zinc/03/35/80/1032033580.db2.gz ZULDIRJQFNRRSI-UHFFFAOYSA-N 1 3 366.509 2.900 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001218881228 1033392562 /nfs/dbraw/zinc/39/25/62/1033392562.db2.gz SUKDWZCNCXAEKO-VQTJNVASSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@@H+]1C ZINC001223442808 1033447000 /nfs/dbraw/zinc/44/70/00/1033447000.db2.gz IJJVYTODEWMTLH-GVDBMIGSSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@H+]1C ZINC001223442808 1033447006 /nfs/dbraw/zinc/44/70/06/1033447006.db2.gz IJJVYTODEWMTLH-GVDBMIGSSA-N 1 3 364.559 2.913 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)Nc2cccc3c2C[NH2+]C3)cc1 ZINC001218993551 1033447236 /nfs/dbraw/zinc/44/72/36/1033447236.db2.gz QRSKFMWSYYFGNL-SFHVURJKSA-N 1 3 353.466 2.976 20 0 FFADHO CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1O ZINC001219074221 1033507508 /nfs/dbraw/zinc/50/75/08/1033507508.db2.gz AYEGKLRYLNKUES-OAHLLOKOSA-N 1 3 359.514 2.735 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H]1CCNC[C@@H]1F)CC21CC[NH2+]CC1 ZINC001219753853 1033798087 /nfs/dbraw/zinc/79/80/87/1033798087.db2.gz MOQGLEHMLBFDCE-ZYSHUDEJSA-N 1 3 359.489 2.515 20 0 FFADHO COc1cc2cccnc2c(N(C(=O)[C@@H]2CCCCN2)[C@@H](C)CCC[NH3+])c1 ZINC001220033168 1033949644 /nfs/dbraw/zinc/94/96/44/1033949644.db2.gz JKLBHQPEUHLHBI-YJBOKZPZSA-N 1 3 370.497 2.846 20 0 FFADHO O=C(NC/C(=C/F)CCc1ccc(F)cc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220431994 1034172371 /nfs/dbraw/zinc/17/23/71/1034172371.db2.gz VBWLLNPYOKWGDY-QCUIPMNBSA-N 1 3 363.452 2.602 20 0 FFADHO O=C(NC/C(=C/F)CCc1ccc(F)cc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220431994 1034172376 /nfs/dbraw/zinc/17/23/76/1034172376.db2.gz VBWLLNPYOKWGDY-QCUIPMNBSA-N 1 3 363.452 2.602 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001220538188 1034243931 /nfs/dbraw/zinc/24/39/31/1034243931.db2.gz DYKTXKQJZNNUEO-UTANWOJPSA-N 1 3 373.516 2.842 20 0 FFADHO CCCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC001220615343 1034287016 /nfs/dbraw/zinc/28/70/16/1034287016.db2.gz ZLTYYTSZAJDSKM-MOPGFXCFSA-N 1 3 352.567 2.869 20 0 FFADHO CCCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC001220615344 1034287907 /nfs/dbraw/zinc/28/79/07/1034287907.db2.gz ZLTYYTSZAJDSKM-OALUTQOASA-N 1 3 352.567 2.869 20 0 FFADHO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)s1 ZINC001138491711 1034329200 /nfs/dbraw/zinc/32/92/00/1034329200.db2.gz TYNHACGJTPTHFM-YLJYHZDGSA-N 1 3 363.571 2.994 20 0 FFADHO CN(C)c1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)s1 ZINC001138491711 1034329210 /nfs/dbraw/zinc/32/92/10/1034329210.db2.gz TYNHACGJTPTHFM-YLJYHZDGSA-N 1 3 363.571 2.994 20 0 FFADHO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220769209 1034388050 /nfs/dbraw/zinc/38/80/50/1034388050.db2.gz KUDXFGZFFPCGNX-XLIONFOSSA-N 1 3 356.514 2.712 20 0 FFADHO Cc1cnsc1C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001277085182 1034461478 /nfs/dbraw/zinc/46/14/78/1034461478.db2.gz HNBJAPQADFDXMC-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1cnsc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001277085182 1034461486 /nfs/dbraw/zinc/46/14/86/1034461486.db2.gz HNBJAPQADFDXMC-HXUWFJFHSA-N 1 3 370.522 2.503 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001221180724 1034590746 /nfs/dbraw/zinc/59/07/46/1034590746.db2.gz MZVJVRQOMXFSPK-NRFANRHFSA-N 1 3 370.541 2.743 20 0 FFADHO COc1cccc(O[C@@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC001138771839 1034639746 /nfs/dbraw/zinc/63/97/46/1034639746.db2.gz GXIQKOVSLLTFGR-LJQANCHMSA-N 1 3 371.481 2.684 20 0 FFADHO Cc1cnccc1O[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138773859 1034642110 /nfs/dbraw/zinc/64/21/10/1034642110.db2.gz QEAXVIFGQQMEOM-HXUWFJFHSA-N 1 3 355.482 2.984 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOc2ccccc2)CCC1 ZINC001226766220 1034826798 /nfs/dbraw/zinc/82/67/98/1034826798.db2.gz KCVBBLIJMPOQKD-RTBURBONSA-N 1 3 359.514 2.567 20 0 FFADHO Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)s1 ZINC001226890798 1034875669 /nfs/dbraw/zinc/87/56/69/1034875669.db2.gz OQHDTWMYOYAQQI-CGTJXYLNSA-N 1 3 364.559 2.843 20 0 FFADHO Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001226890798 1034875678 /nfs/dbraw/zinc/87/56/78/1034875678.db2.gz OQHDTWMYOYAQQI-CGTJXYLNSA-N 1 3 364.559 2.843 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1)N(C)C ZINC001226922399 1034884638 /nfs/dbraw/zinc/88/46/38/1034884638.db2.gz SLFCTUPOARYMMG-AQNXPRMDSA-N 1 3 361.530 2.669 20 0 FFADHO C[C@@H]1C[C@@H](Oc2c(CN(C)C)cc(C[NH+](C)C)cc2CN(C)C)CCO1 ZINC001227164491 1034956993 /nfs/dbraw/zinc/95/69/93/1034956993.db2.gz JWTUAAQWJYGWHL-UZLBHIALSA-N 1 3 363.546 2.818 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC001227165598 1034957672 /nfs/dbraw/zinc/95/76/72/1034957672.db2.gz NHTXPYVFKPLBBR-HUUCEWRRSA-N 1 3 352.548 2.699 20 0 FFADHO CC(C)Cc1ccc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001277185825 1034960037 /nfs/dbraw/zinc/96/00/37/1034960037.db2.gz SJGIURZPVRYYEM-QFIPXVFZSA-N 1 3 357.542 2.871 20 0 FFADHO CC(C)Cc1ccc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001277185825 1034960049 /nfs/dbraw/zinc/96/00/49/1034960049.db2.gz SJGIURZPVRYYEM-QFIPXVFZSA-N 1 3 357.542 2.871 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCN(CCOC(C)C)C[C@H]21 ZINC001221942216 1035169926 /nfs/dbraw/zinc/16/99/26/1035169926.db2.gz CXYPCICWWIESCU-WOJBJXKFSA-N 1 3 367.578 2.846 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000834795725 1035451750 /nfs/dbraw/zinc/45/17/50/1035451750.db2.gz MNYCKXDMYGVOPL-VRKFHHGPSA-N 1 3 370.541 2.817 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccn1Cc1ccccc1 ZINC001232233133 1035508854 /nfs/dbraw/zinc/50/88/54/1035508854.db2.gz ZBUQNQIWLGBOQA-FCHUYYIVSA-N 1 3 352.526 2.747 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccn1Cc1ccccc1 ZINC001232233133 1035508864 /nfs/dbraw/zinc/50/88/64/1035508864.db2.gz ZBUQNQIWLGBOQA-FCHUYYIVSA-N 1 3 352.526 2.747 20 0 FFADHO C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)CCCC1 ZINC001227742742 1035710190 /nfs/dbraw/zinc/71/01/90/1035710190.db2.gz VTOJGHDDDCMNLC-RTBURBONSA-N 1 3 358.530 2.863 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC001227882319 1035785169 /nfs/dbraw/zinc/78/51/69/1035785169.db2.gz LMFACLUKQLNBSQ-IBGZPJMESA-N 1 3 350.551 2.813 20 0 FFADHO Cc1nn(C)c(C)c1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001203057044 1035839385 /nfs/dbraw/zinc/83/93/85/1035839385.db2.gz IFSUAANETAKPFB-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO Cc1nn(C)c(C)c1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001203057044 1035839393 /nfs/dbraw/zinc/83/93/93/1035839393.db2.gz IFSUAANETAKPFB-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO COc1cc(O)cc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001232801122 1036047509 /nfs/dbraw/zinc/04/75/09/1036047509.db2.gz CFQAOQVQSIPOSE-MOPGFXCFSA-N 1 3 353.466 2.750 20 0 FFADHO COc1cc(O)cc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001232801122 1036047529 /nfs/dbraw/zinc/04/75/29/1036047529.db2.gz CFQAOQVQSIPOSE-MOPGFXCFSA-N 1 3 353.466 2.750 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl)[NH+](C)C ZINC001228445346 1036116728 /nfs/dbraw/zinc/11/67/28/1036116728.db2.gz OQJZASYJUMZRBJ-KZNAEPCWSA-N 1 3 366.937 2.838 20 0 FFADHO COc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC001140823143 1036230641 /nfs/dbraw/zinc/23/06/41/1036230641.db2.gz VOKXTFJIBJTELZ-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001228647543 1036231045 /nfs/dbraw/zinc/23/10/45/1036231045.db2.gz VVAGAISTUWTPNR-KURKYZTESA-N 1 3 353.457 2.822 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(COC)c1 ZINC001229859680 1036940728 /nfs/dbraw/zinc/94/07/28/1036940728.db2.gz BGNKPGBHQAHXIH-WOJBJXKFSA-N 1 3 361.530 2.692 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC001230274746 1037187526 /nfs/dbraw/zinc/18/75/26/1037187526.db2.gz JLHLOAFQDQNFRE-RTBURBONSA-N 1 3 365.493 2.562 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001207262900 1037296219 /nfs/dbraw/zinc/29/62/19/1037296219.db2.gz LKHDEANXIWYOIY-YZGWKJHDSA-N 1 3 363.521 2.654 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001207262900 1037296230 /nfs/dbraw/zinc/29/62/30/1037296230.db2.gz LKHDEANXIWYOIY-YZGWKJHDSA-N 1 3 363.521 2.654 20 0 FFADHO C[NH+]1CCC(CCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001207485730 1037484223 /nfs/dbraw/zinc/48/42/23/1037484223.db2.gz XNTHSEKMZFEIHP-UHFFFAOYSA-N 1 3 356.436 2.954 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001207547475 1037543675 /nfs/dbraw/zinc/54/36/75/1037543675.db2.gz YDACIVFAEXGYJG-LPTQZCDUSA-N 1 3 366.509 2.512 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001207547475 1037543688 /nfs/dbraw/zinc/54/36/88/1037543688.db2.gz YDACIVFAEXGYJG-LPTQZCDUSA-N 1 3 366.509 2.512 20 0 FFADHO Cc1nnn(-c2ccc(F)cc2)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429654 1037546638 /nfs/dbraw/zinc/54/66/38/1037546638.db2.gz BYSGUWXBASLQEF-DLBZAZTESA-N 1 3 357.477 2.926 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]3CCCC3)C2)cc1 ZINC001235485469 1037581682 /nfs/dbraw/zinc/58/16/82/1037581682.db2.gz KWBKPEUQIWKLHV-LEWJYISDSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1cc(Cl)cc(CN2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)c1 ZINC001235531570 1037610739 /nfs/dbraw/zinc/61/07/39/1037610739.db2.gz KKLRYXKONWOPSA-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO Cn1cc(CN2CCCC23CC[NH+](Cc2cc4cc[nH]c4cn2)CC3)cn1 ZINC001231666729 1037791433 /nfs/dbraw/zinc/79/14/33/1037791433.db2.gz QAWRSRAKFPWKAY-UHFFFAOYSA-N 1 3 364.497 2.927 20 0 FFADHO [NH3+]C[C@H]1CCCN1Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001236246389 1038005789 /nfs/dbraw/zinc/00/57/89/1038005789.db2.gz YXTOGLNOHIFVIQ-JOCHJYFZSA-N 1 3 364.537 2.932 20 0 FFADHO Brc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc2c1OCO2 ZINC001236315647 1038041129 /nfs/dbraw/zinc/04/11/29/1038041129.db2.gz MAQVQCGQDCNEOG-BETUJISGSA-N 1 3 353.260 2.609 20 0 FFADHO Clc1sccc1CN(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387892 1038068467 /nfs/dbraw/zinc/06/84/67/1038068467.db2.gz PTYQCVWNGAEHAO-UHFFFAOYSA-N 1 3 371.978 2.925 20 0 FFADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4c[nH]c5ncncc45)C[C@H]3CC2)c1 ZINC001278887213 1038166064 /nfs/dbraw/zinc/16/60/64/1038166064.db2.gz WDXOAWPHYKNBDB-IYBDPMFKSA-N 1 3 350.470 2.582 20 0 FFADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4c[nH]c5ncncc45)C[C@H]3CC2)c1 ZINC001278887213 1038166067 /nfs/dbraw/zinc/16/60/67/1038166067.db2.gz WDXOAWPHYKNBDB-IYBDPMFKSA-N 1 3 350.470 2.582 20 0 FFADHO C[C@@H](Cc1ccccc1F)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255847691 1038203382 /nfs/dbraw/zinc/20/33/82/1038203382.db2.gz YLUPGAWRHJSREN-KRWDZBQOSA-N 1 3 371.500 2.581 20 0 FFADHO C[C@@H](Cc1ccccc1F)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255847691 1038203399 /nfs/dbraw/zinc/20/33/99/1038203399.db2.gz YLUPGAWRHJSREN-KRWDZBQOSA-N 1 3 371.500 2.581 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001255940827 1038267326 /nfs/dbraw/zinc/26/73/26/1038267326.db2.gz HCIAYBCKVXYAKL-PXNSSMCTSA-N 1 3 371.566 2.849 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001255940827 1038267330 /nfs/dbraw/zinc/26/73/30/1038267330.db2.gz HCIAYBCKVXYAKL-PXNSSMCTSA-N 1 3 371.566 2.849 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255954088 1038270584 /nfs/dbraw/zinc/27/05/84/1038270584.db2.gz SCUQNRNEBBAYBP-ZJPYXAASSA-N 1 3 369.550 2.863 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001208431895 1038309691 /nfs/dbraw/zinc/30/96/91/1038309691.db2.gz BPAITXZBPHWSCB-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CC(C)COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001208494458 1038358032 /nfs/dbraw/zinc/35/80/32/1038358032.db2.gz WJTCFRBBDUWETB-YLJYHZDGSA-N 1 3 361.530 2.610 20 0 FFADHO O=C(c1cccc(CN2CCCC2)c1)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001278915978 1038413355 /nfs/dbraw/zinc/41/33/55/1038413355.db2.gz SJTNQUXEJUQBHC-UHFFFAOYSA-N 1 3 353.510 2.983 20 0 FFADHO C[C@@H](Cc1cccc(Br)c1)N1CCN(CCCC[NH3+])CC1 ZINC001256182241 1038420704 /nfs/dbraw/zinc/42/07/04/1038420704.db2.gz CTIFLNVAVPITMS-HNNXBMFYSA-N 1 3 354.336 2.737 20 0 FFADHO CN1CCC[C@H](C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C1 ZINC001208605744 1038440073 /nfs/dbraw/zinc/44/00/73/1038440073.db2.gz BDNHRQICRFLMIZ-IRFCIJBXSA-N 1 3 359.514 2.673 20 0 FFADHO CN1CCC[C@H](C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C1 ZINC001208605744 1038440076 /nfs/dbraw/zinc/44/00/76/1038440076.db2.gz BDNHRQICRFLMIZ-IRFCIJBXSA-N 1 3 359.514 2.673 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C[C@H]3CCCN(C)C3)C[C@@H]21 ZINC001208608287 1038442430 /nfs/dbraw/zinc/44/24/30/1038442430.db2.gz PXPOWQKODSXGHQ-BLKABHOGSA-N 1 3 356.558 2.956 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C[C@H]3CCCN(C)C3)C[C@@H]21 ZINC001208608287 1038442434 /nfs/dbraw/zinc/44/24/34/1038442434.db2.gz PXPOWQKODSXGHQ-BLKABHOGSA-N 1 3 356.558 2.956 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C[C@H]3CCC[N@@H+](C)C3)C[C@@H]12 ZINC001208616315 1038450150 /nfs/dbraw/zinc/45/01/50/1038450150.db2.gz YRMIMOUSIXZWOE-NNWRFLSQSA-N 1 3 355.526 2.593 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C[C@H]3CCC[N@H+](C)C3)C[C@@H]12 ZINC001208616315 1038450155 /nfs/dbraw/zinc/45/01/55/1038450155.db2.gz YRMIMOUSIXZWOE-NNWRFLSQSA-N 1 3 355.526 2.593 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C[C@@H]3CCC[N@@H+](C)C3)C[C@H]12 ZINC001208616311 1038450230 /nfs/dbraw/zinc/45/02/30/1038450230.db2.gz YRMIMOUSIXZWOE-HJNYFJLDSA-N 1 3 355.526 2.593 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN(C[C@@H]3CCC[N@H+](C)C3)C[C@H]12 ZINC001208616311 1038450232 /nfs/dbraw/zinc/45/02/32/1038450232.db2.gz YRMIMOUSIXZWOE-HJNYFJLDSA-N 1 3 355.526 2.593 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521885 1038542984 /nfs/dbraw/zinc/54/29/84/1038542984.db2.gz FMGMLADGUYXNHM-DOTOQJQBSA-N 1 3 356.470 2.744 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521885 1038542986 /nfs/dbraw/zinc/54/29/86/1038542986.db2.gz FMGMLADGUYXNHM-DOTOQJQBSA-N 1 3 356.470 2.744 20 0 FFADHO CC(C)(C)N1CCC([NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)CC1 ZINC001256570444 1038563936 /nfs/dbraw/zinc/56/39/36/1038563936.db2.gz KMNPGBMFQZPJII-IBGZPJMESA-N 1 3 370.541 2.783 20 0 FFADHO CN(C)C1=NOC2(C1)CCN(C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256605630 1038578009 /nfs/dbraw/zinc/57/80/09/1038578009.db2.gz HCGCLHGFTUIWIX-UHFFFAOYSA-N 1 3 356.514 2.781 20 0 FFADHO CN(C)C1=NOC2(C1)CC[NH+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256605630 1038578016 /nfs/dbraw/zinc/57/80/16/1038578016.db2.gz HCGCLHGFTUIWIX-UHFFFAOYSA-N 1 3 356.514 2.781 20 0 FFADHO Cc1cc(N([C@H]2CC[NH2+]C2)C2CCN(Cc3ccccc3)CC2)ncn1 ZINC001256612419 1038580988 /nfs/dbraw/zinc/58/09/88/1038580988.db2.gz KIGZWACFIDLBMJ-FQEVSTJZSA-N 1 3 351.498 2.618 20 0 FFADHO COC(=O)c1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256678222 1038599550 /nfs/dbraw/zinc/59/95/50/1038599550.db2.gz UTTVOYKWBAYSMS-UHFFFAOYSA-N 1 3 358.482 2.695 20 0 FFADHO FC1(F)Oc2cccc(C[NH2+]C3CCC(N4CCOCC4)CC3)c2O1 ZINC001256679479 1038599687 /nfs/dbraw/zinc/59/96/87/1038599687.db2.gz MFJQZVZIQNLOEP-UHFFFAOYSA-N 1 3 354.397 2.741 20 0 FFADHO COc1cccc2c1C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CS2 ZINC001256686771 1038602548 /nfs/dbraw/zinc/60/25/48/1038602548.db2.gz DDAJMKGFZKQKCI-AQFXKWCLSA-N 1 3 362.539 2.945 20 0 FFADHO Fc1cnc(O[C@H]2CC[N@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965288 1038610144 /nfs/dbraw/zinc/61/01/44/1038610144.db2.gz YEMWXNKSJONKKM-MJGOQNOKSA-N 1 3 356.445 2.591 20 0 FFADHO Fc1cnc(O[C@H]2CC[N@@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965288 1038610149 /nfs/dbraw/zinc/61/01/49/1038610149.db2.gz YEMWXNKSJONKKM-MJGOQNOKSA-N 1 3 356.445 2.591 20 0 FFADHO C[NH+](C)CCN1CCO[C@@]2(CCCN(Cc3ccc4occc4c3)C2)C1 ZINC001279007726 1038763854 /nfs/dbraw/zinc/76/38/54/1038763854.db2.gz LPWWIVVXQZQDND-NRFANRHFSA-N 1 3 357.498 2.661 20 0 FFADHO CCCCOC(=O)CC[C@@H](C)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001257385544 1038779862 /nfs/dbraw/zinc/77/98/62/1038779862.db2.gz JDDUYZCPPVEHLP-CABCVRRESA-N 1 3 359.511 2.678 20 0 FFADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C[C@@H](O)C(F)(F)F)CC2 ZINC001250970478 1038865132 /nfs/dbraw/zinc/86/51/32/1038865132.db2.gz UOEOUQLUMYVNTB-MRXNPFEDSA-N 1 3 357.420 2.681 20 0 FFADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C[C@@H](O)C(F)(F)F)CC2 ZINC001250970478 1038865157 /nfs/dbraw/zinc/86/51/57/1038865157.db2.gz UOEOUQLUMYVNTB-MRXNPFEDSA-N 1 3 357.420 2.681 20 0 FFADHO O=C1CC[C@@]2(CCC[N@H+](CCCN3CCCCC3)C2)N1Cc1ccncc1 ZINC001209452007 1038881136 /nfs/dbraw/zinc/88/11/36/1038881136.db2.gz ZIKPCEJICAFYEP-JOCHJYFZSA-N 1 3 370.541 2.915 20 0 FFADHO O=C1CC[C@@]2(CCC[N@@H+](CCCN3CCCCC3)C2)N1Cc1ccncc1 ZINC001209452007 1038881157 /nfs/dbraw/zinc/88/11/57/1038881157.db2.gz ZIKPCEJICAFYEP-JOCHJYFZSA-N 1 3 370.541 2.915 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251146606 1038967297 /nfs/dbraw/zinc/96/72/97/1038967297.db2.gz COMONDGIFHEFKV-RYRKJORJSA-N 1 3 367.493 2.991 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251146606 1038967309 /nfs/dbraw/zinc/96/73/09/1038967309.db2.gz COMONDGIFHEFKV-RYRKJORJSA-N 1 3 367.493 2.991 20 0 FFADHO [NH3+]C1CCN(Cc2ccccc2C2=CC[C@@H](N3CCOCC3)CC2)CC1 ZINC001245428675 1039008064 /nfs/dbraw/zinc/00/80/64/1039008064.db2.gz PYTPJBVNEGCJSX-OAQYLSRUSA-N 1 3 355.526 2.878 20 0 FFADHO O[C@@H](CNCC[C@@H]1CCCC[NH2+]1)COCc1c(Cl)cccc1Cl ZINC001246002531 1039184777 /nfs/dbraw/zinc/18/47/77/1039184777.db2.gz PIFJXOSNPPBICM-KBPBESRZSA-N 1 3 361.313 2.993 20 0 FFADHO O[C@H](COCC(F)(F)C(F)F)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001251575958 1039185632 /nfs/dbraw/zinc/18/56/32/1039185632.db2.gz VBWAPUYZAYBPLQ-GJZGRUSLSA-N 1 3 370.431 2.605 20 0 FFADHO O[C@H](COCC(F)(F)C(F)F)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001251575958 1039185638 /nfs/dbraw/zinc/18/56/38/1039185638.db2.gz VBWAPUYZAYBPLQ-GJZGRUSLSA-N 1 3 370.431 2.605 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001246055611 1039224889 /nfs/dbraw/zinc/22/48/89/1039224889.db2.gz MGXGJTZYJVHSTM-VOBQZIQPSA-N 1 3 364.411 2.824 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001246055611 1039224903 /nfs/dbraw/zinc/22/49/03/1039224903.db2.gz MGXGJTZYJVHSTM-VOBQZIQPSA-N 1 3 364.411 2.824 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001251673536 1039244483 /nfs/dbraw/zinc/24/44/83/1039244483.db2.gz ZCQVJJVBDRMYEA-IEBWSBKVSA-N 1 3 358.530 2.823 20 0 FFADHO C[NH2+]C1CCC(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCCN2)CC1 ZINC001246258475 1039290559 /nfs/dbraw/zinc/29/05/59/1039290559.db2.gz CXFOPDRTVXVUPI-FVELJTHGSA-N 1 3 359.514 2.566 20 0 FFADHO Brc1cccc(CC2([NH2+]C3CCNCC3)CCOCC2)c1 ZINC001246408935 1039344659 /nfs/dbraw/zinc/34/46/59/1039344659.db2.gz YVNZAUULMHCIOY-UHFFFAOYSA-N 1 3 353.304 2.882 20 0 FFADHO CCC(CC)[C@@H]([NH2+]C1CCCCCC1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246414492 1039346185 /nfs/dbraw/zinc/34/61/85/1039346185.db2.gz KQQBKKVHEDIPSF-UURKPOQGSA-N 1 3 354.535 2.601 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC001251929485 1039359710 /nfs/dbraw/zinc/35/97/10/1039359710.db2.gz HGZSZHXLTXIDSB-OTWHNJEPSA-N 1 3 350.478 2.904 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC001251929485 1039359725 /nfs/dbraw/zinc/35/97/25/1039359725.db2.gz HGZSZHXLTXIDSB-OTWHNJEPSA-N 1 3 350.478 2.904 20 0 FFADHO NC1=CC=C(C2CCN([C@@H]3Cc4ccc(Br)cc4C3)CC2)[NH2+]C1 ZINC001246492855 1039371188 /nfs/dbraw/zinc/37/11/88/1039371188.db2.gz DEBWBAZKSSEKAO-GOSISDBHSA-N 1 3 374.326 2.958 20 0 FFADHO Brc1ccc2c(c1)C[C@@H](CNC1C[C@H]3CC[C@@H](C1)[NH2+]3)CO2 ZINC001246506684 1039374804 /nfs/dbraw/zinc/37/48/04/1039374804.db2.gz INZQFTPKWHXEEE-AEZOWIDVSA-N 1 3 351.288 2.873 20 0 FFADHO NC[C@]1(O)CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001246555031 1039394786 /nfs/dbraw/zinc/39/47/86/1039394786.db2.gz AQDBPWKABKRVEJ-CLAROIROSA-N 1 3 357.542 2.748 20 0 FFADHO NC[C@]1(O)CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001246555031 1039394802 /nfs/dbraw/zinc/39/48/02/1039394802.db2.gz AQDBPWKABKRVEJ-CLAROIROSA-N 1 3 357.542 2.748 20 0 FFADHO CCOC(=O)[C@@H]1CC2(CN1[C@@H]1CCc3c(C)cccc3C1)CC[NH2+]CC2 ZINC001246606305 1039413243 /nfs/dbraw/zinc/41/32/43/1039413243.db2.gz XRQRRCLGCQAVNS-QUCCMNQESA-N 1 3 356.510 2.860 20 0 FFADHO CN(C)CCC[NH+](CCCN(C)C)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258526343 1039418322 /nfs/dbraw/zinc/41/83/22/1039418322.db2.gz FWZFQUNVMVYPRZ-UHFFFAOYSA-N 1 3 369.594 2.904 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)[C@H]2CC[C@H](C)[NH2+]C2)c2c1CNCC2 ZINC001246705228 1039443609 /nfs/dbraw/zinc/44/36/09/1039443609.db2.gz OIVVOGFUGOPMLB-GJZGRUSLSA-N 1 3 374.558 2.713 20 0 FFADHO CC(C)(C)[C@@H]1C[C@@H](N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246725836 1039453143 /nfs/dbraw/zinc/45/31/43/1039453143.db2.gz RTRDNSNXLDBWRC-STEXWYFWSA-N 1 3 359.514 2.859 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246744462 1039458446 /nfs/dbraw/zinc/45/84/46/1039458446.db2.gz AYWMDCWQZDSJMQ-PBASOCQRSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246744462 1039458457 /nfs/dbraw/zinc/45/84/57/1039458457.db2.gz AYWMDCWQZDSJMQ-PBASOCQRSA-N 1 3 359.514 2.610 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)CC[NH2+]1 ZINC001246744462 1039458471 /nfs/dbraw/zinc/45/84/71/1039458471.db2.gz AYWMDCWQZDSJMQ-PBASOCQRSA-N 1 3 359.514 2.610 20 0 FFADHO CCC[N@H+](C(CCC(=O)OCC)CCC(=O)OCC)C1CCNCC1 ZINC001246897500 1039521731 /nfs/dbraw/zinc/52/17/31/1039521731.db2.gz LUKDQRHBVHHXKA-UHFFFAOYSA-N 1 3 356.507 2.506 20 0 FFADHO CCC[N@@H+](C(CCC(=O)OCC)CCC(=O)OCC)C1CCNCC1 ZINC001246897500 1039521741 /nfs/dbraw/zinc/52/17/41/1039521741.db2.gz LUKDQRHBVHHXKA-UHFFFAOYSA-N 1 3 356.507 2.506 20 0 FFADHO COc1ccccc1C[C@@H](C)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001258882089 1039558399 /nfs/dbraw/zinc/55/83/99/1039558399.db2.gz LMPYWUVFOWQIPV-RHSMWYFYSA-N 1 3 351.491 2.806 20 0 FFADHO CCOC(=O)[C@@H]1CN([C@H](C)Cc2c(F)cccc2Cl)CCC12C[NH2+]C2 ZINC001247003787 1039572223 /nfs/dbraw/zinc/57/22/23/1039572223.db2.gz ABOCWXADGWYYCJ-HIFRSBDPSA-N 1 3 368.880 2.885 20 0 FFADHO COc1cc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)ccc1Cl ZINC001278670858 1039584042 /nfs/dbraw/zinc/58/40/42/1039584042.db2.gz RYQIJUBZPJGHME-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO Fc1cccc2nc(-c3nc4c(s3)CNCC4)n(CC3CC[NH2+]CC3)c21 ZINC001247037736 1039586288 /nfs/dbraw/zinc/58/62/88/1039586288.db2.gz QAMHMWNLMCOAGJ-UHFFFAOYSA-N 1 3 371.485 2.944 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3ccccc3-c3cccnc3)C2)C1 ZINC001278480991 1039659140 /nfs/dbraw/zinc/65/91/40/1039659140.db2.gz USTNSKDLWKNWKJ-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CN(C)CC[N@H+]1CCC2(CN(Cc3ccccc3-c3cccnc3)C2)C1 ZINC001278480991 1039659143 /nfs/dbraw/zinc/65/91/43/1039659143.db2.gz USTNSKDLWKNWKJ-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CCC[C@@H](O)C[NH+]1CCC2(C[C@@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001252781987 1039701923 /nfs/dbraw/zinc/70/19/23/1039701923.db2.gz ZERJBUGVXDGNLW-VQTJNVASSA-N 1 3 361.530 2.546 20 0 FFADHO COc1ccc2nc(NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC001252918766 1039791377 /nfs/dbraw/zinc/79/13/77/1039791377.db2.gz INJGOWNIGWHOAJ-FQEVSTJZSA-N 1 3 352.438 2.620 20 0 FFADHO COc1ccc2nc(NC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC001252918766 1039791390 /nfs/dbraw/zinc/79/13/90/1039791390.db2.gz INJGOWNIGWHOAJ-FQEVSTJZSA-N 1 3 352.438 2.620 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(C[C@](C)(O)c3ccccc3)C2)C1 ZINC001253097557 1039975606 /nfs/dbraw/zinc/97/56/06/1039975606.db2.gz FWPSECMWGJSESF-BHIFYINESA-N 1 3 358.526 2.574 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(C[C@](C)(O)c3ccccc3)C2)C1 ZINC001253097557 1039975616 /nfs/dbraw/zinc/97/56/16/1039975616.db2.gz FWPSECMWGJSESF-BHIFYINESA-N 1 3 358.526 2.574 20 0 FFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cnc4cccnc4c3)(C1)CCC2 ZINC001278704274 1040053723 /nfs/dbraw/zinc/05/37/23/1040053723.db2.gz LKIZBUKFTGSYMD-LEWJYISDSA-N 1 3 353.514 2.716 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC001253408953 1040159031 /nfs/dbraw/zinc/15/90/31/1040159031.db2.gz MYRRYYNNOWSZSY-KRWDZBQOSA-N 1 3 371.928 2.782 20 0 FFADHO OC1(C[N@@H+]2CC[C@H](COCC3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040710 1040540058 /nfs/dbraw/zinc/54/00/58/1040540058.db2.gz WMSRYRMWYCDBRT-NRFANRHFSA-N 1 3 358.526 2.762 20 0 FFADHO OC1(C[N@H+]2CC[C@H](COCC3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254040710 1040540078 /nfs/dbraw/zinc/54/00/78/1040540078.db2.gz WMSRYRMWYCDBRT-NRFANRHFSA-N 1 3 358.526 2.762 20 0 FFADHO OC1(C[NH2+]Cc2ccc3ncoc3c2)CCN(Cc2ccccc2)CC1 ZINC001254051573 1040552093 /nfs/dbraw/zinc/55/20/93/1040552093.db2.gz RNLZNHKLPAAKAK-UHFFFAOYSA-N 1 3 351.450 2.945 20 0 FFADHO O[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254050597 1040552570 /nfs/dbraw/zinc/55/25/70/1040552570.db2.gz PNMYJTGZVYRPJL-FGZHOGPDSA-N 1 3 366.505 2.652 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213442670 1040557519 /nfs/dbraw/zinc/55/75/19/1040557519.db2.gz TVVTYQMFTHMDAM-MBOZVWFJSA-N 1 3 371.541 2.595 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001213442670 1040557536 /nfs/dbraw/zinc/55/75/36/1040557536.db2.gz TVVTYQMFTHMDAM-MBOZVWFJSA-N 1 3 371.541 2.595 20 0 FFADHO C[NH+]1CCC(Oc2ccc(NC3=CC[C@H](N4CCOCC4)CC3)nc2)CC1 ZINC001249554708 1040863494 /nfs/dbraw/zinc/86/34/94/1040863494.db2.gz KEGXVQKIVVLDBV-SFHVURJKSA-N 1 3 372.513 2.735 20 0 FFADHO C[NH+]1CCC(Oc2ccc(NC3=CC[C@@H](N4CCOCC4)CC3)nc2)CC1 ZINC001249554706 1040865409 /nfs/dbraw/zinc/86/54/09/1040865409.db2.gz KEGXVQKIVVLDBV-GOSISDBHSA-N 1 3 372.513 2.735 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213931101 1041081042 /nfs/dbraw/zinc/08/10/42/1041081042.db2.gz CWNGAWBHHVJKQW-VJQBDMSCSA-N 1 3 365.562 2.669 20 0 FFADHO Cc1ccc(Cl)nc1CN1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001278548220 1041097616 /nfs/dbraw/zinc/09/76/16/1041097616.db2.gz CZAKFEPIGJRRDE-LJQANCHMSA-N 1 3 350.938 2.893 20 0 FFADHO CCN(CC[NH+]1CCCC1)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001255004634 1041097779 /nfs/dbraw/zinc/09/77/79/1041097779.db2.gz LCVDXMHWYQZQKA-FRIKZZABSA-N 1 3 357.542 2.836 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(c4ccncn4)C2)C3)cc1 ZINC001255131323 1041165294 /nfs/dbraw/zinc/16/52/94/1041165294.db2.gz MKKKSFUXRRBFAA-MXEMCNAFSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(c4ccncn4)C2)C3)cc1 ZINC001255131323 1041165299 /nfs/dbraw/zinc/16/52/99/1041165299.db2.gz MKKKSFUXRRBFAA-MXEMCNAFSA-N 1 3 363.509 2.841 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCCC3(CC[NH2+]CC3)C2)C2CC2)cc1 ZINC001261492405 1041266346 /nfs/dbraw/zinc/26/63/46/1041266346.db2.gz CAEKUJAWKKVSDQ-UHFFFAOYSA-N 1 3 355.526 2.952 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)c2)nn1 ZINC001261903524 1041468545 /nfs/dbraw/zinc/46/85/45/1041468545.db2.gz BATYNSQMKPJAKX-KRWDZBQOSA-N 1 3 353.857 2.636 20 0 FFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856055 1041595723 /nfs/dbraw/zinc/59/57/23/1041595723.db2.gz WIPVSBVYNPSAQU-UIFIKXQLSA-N 1 3 357.542 2.704 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC2CCOCC2)C1)N(C)C ZINC001214905008 1041614663 /nfs/dbraw/zinc/61/46/63/1041614663.db2.gz UHGPZUQEGNHKJA-RLLQIKCJSA-N 1 3 367.578 2.606 20 0 FFADHO C/C=C\c1ccc(OC[C@@H](O)C[NH2+][C@H]2C[C@@H](N3CCCC3)C2)c(OC)c1 ZINC001262575832 1041732533 /nfs/dbraw/zinc/73/25/33/1041732533.db2.gz ADHXJOBDJHNEKT-AJZHESHISA-N 1 3 360.498 2.684 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C2 ZINC001262589746 1041741448 /nfs/dbraw/zinc/74/14/48/1041741448.db2.gz QHHYBLWOHKKDON-HAGHYFMRSA-N 1 3 356.514 2.562 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC001215564018 1041829354 /nfs/dbraw/zinc/82/93/54/1041829354.db2.gz XUSQZUVUVNJDLK-RDTXWAMCSA-N 1 3 367.484 2.879 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC2CCC2)C1 ZINC001215973093 1041920305 /nfs/dbraw/zinc/92/03/05/1041920305.db2.gz QBVLOELRUMJQJH-UYAOXDASSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOc2ccccc2C)C1 ZINC001215989434 1041924510 /nfs/dbraw/zinc/92/45/10/1041924510.db2.gz BKHUABJIEAIGEI-RTBURBONSA-N 1 3 361.530 2.542 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n1 ZINC001216464149 1042032766 /nfs/dbraw/zinc/03/27/66/1042032766.db2.gz LWUCLJCSFKNDNZ-YLJYHZDGSA-N 1 3 360.546 2.873 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001216490445 1042040251 /nfs/dbraw/zinc/04/02/51/1042040251.db2.gz DLSDXCBWVASKKM-YLJYHZDGSA-N 1 3 360.546 2.873 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001216490445 1042040257 /nfs/dbraw/zinc/04/02/57/1042040257.db2.gz DLSDXCBWVASKKM-YLJYHZDGSA-N 1 3 360.546 2.873 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001263120406 1042115106 /nfs/dbraw/zinc/11/51/06/1042115106.db2.gz AKSRBINAGHSHKN-QFBILLFUSA-N 1 3 356.514 2.503 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCCC[C@]23CCC[NH2+]C3)cc(Cl)n1 ZINC001263329217 1042243557 /nfs/dbraw/zinc/24/35/57/1042243557.db2.gz ZSUZGGNGSHAJOR-MAUKXSAKSA-N 1 3 350.894 2.568 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001263904964 1042522373 /nfs/dbraw/zinc/52/23/73/1042522373.db2.gz GVHWDPNQGBCWGS-FUHWJXTLSA-N 1 3 361.505 2.993 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001263918968 1042531843 /nfs/dbraw/zinc/53/18/43/1042531843.db2.gz AUAFSQMWGIBOQL-HKEKEHCMSA-N 1 3 355.526 2.916 20 0 FFADHO C[C@H](F)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264040196 1042591716 /nfs/dbraw/zinc/59/17/16/1042591716.db2.gz DJRAFPUNAKCUHQ-KFKAGJAMSA-N 1 3 367.484 2.800 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)[C@@H]1C)[NH+](C)C ZINC001264728836 1042809963 /nfs/dbraw/zinc/80/99/63/1042809963.db2.gz VNPIILHUYFGWFP-CZAAIQMYSA-N 1 3 357.542 2.841 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(Cc2ccc(F)c(F)c2)C2CC2)CC[N@@H+]1C ZINC001266138636 1042896029 /nfs/dbraw/zinc/89/60/29/1042896029.db2.gz NSRZFPFRWQRWFB-RHSMWYFYSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(Cc2ccc(F)c(F)c2)C2CC2)CC[N@H+]1C ZINC001266138636 1042896033 /nfs/dbraw/zinc/89/60/33/1042896033.db2.gz NSRZFPFRWQRWFB-RHSMWYFYSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000705090093 1042903380 /nfs/dbraw/zinc/90/33/80/1042903380.db2.gz VGYBKORWXSFBDQ-KRWDZBQOSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000705090093 1042903382 /nfs/dbraw/zinc/90/33/82/1042903382.db2.gz VGYBKORWXSFBDQ-KRWDZBQOSA-N 1 3 369.550 2.603 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(CCc1ccccc1C(F)(F)F)C2 ZINC001279245180 1042963994 /nfs/dbraw/zinc/96/39/94/1042963994.db2.gz ZYSVTBSMZCJQEG-WBVHZDCISA-N 1 3 355.448 2.816 20 0 FFADHO c1cn(CCN2CC[C@@]3(C2)CCC[N@@H+](CCOc2ccccc2)C3)cn1 ZINC001279247120 1042964860 /nfs/dbraw/zinc/96/48/60/1042964860.db2.gz HTNSDYAKNIJJDM-NRFANRHFSA-N 1 3 354.498 2.750 20 0 FFADHO c1cn(CCN2CC[C@@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)cn1 ZINC001279247120 1042964864 /nfs/dbraw/zinc/96/48/64/1042964864.db2.gz HTNSDYAKNIJJDM-NRFANRHFSA-N 1 3 354.498 2.750 20 0 FFADHO O=c1cccc(CN2CC3(C2)CCN(CCC[NH+]2CCCCC2)CC3)[nH]1 ZINC001279275028 1042978452 /nfs/dbraw/zinc/97/84/52/1042978452.db2.gz ARUAIUFDZITZHV-UHFFFAOYSA-N 1 3 358.530 2.561 20 0 FFADHO COc1cc(F)ccc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279290937 1042986363 /nfs/dbraw/zinc/98/63/63/1042986363.db2.gz GTHMBYPYCGKVOZ-UHFFFAOYSA-N 1 3 358.461 2.629 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1coc3ccccc13)CC2 ZINC001279317858 1042997642 /nfs/dbraw/zinc/99/76/42/1042997642.db2.gz VWHCTOMODGTIRD-UHFFFAOYSA-N 1 3 355.482 2.809 20 0 FFADHO Cc1ncc(CO)c(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c1[O-] ZINC001279326628 1043002393 /nfs/dbraw/zinc/00/23/93/1043002393.db2.gz MGALELMBTSZTFX-UHFFFAOYSA-N 1 3 359.514 2.818 20 0 FFADHO Cc1ncc(CO)c(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1[O-] ZINC001279326628 1043002396 /nfs/dbraw/zinc/00/23/96/1043002396.db2.gz MGALELMBTSZTFX-UHFFFAOYSA-N 1 3 359.514 2.818 20 0 FFADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc(C(C)(C)C)cc4)CC3)[C@H]2C1 ZINC001279331981 1043006089 /nfs/dbraw/zinc/00/60/89/1043006089.db2.gz WBFOOQCFEZKDIQ-OALUTQOASA-N 1 3 355.526 2.626 20 0 FFADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc(C(C)(C)C)cc4)CC3)[C@H]2C1 ZINC001279331981 1043006093 /nfs/dbraw/zinc/00/60/93/1043006093.db2.gz WBFOOQCFEZKDIQ-OALUTQOASA-N 1 3 355.526 2.626 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccn4ccnc4c3)C2)C1 ZINC001279357193 1043024265 /nfs/dbraw/zinc/02/42/65/1043024265.db2.gz JMSVMVSFTDMGIG-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ccn4ccnc4c3)C2)C1 ZINC001279357193 1043024267 /nfs/dbraw/zinc/02/42/67/1043024267.db2.gz JMSVMVSFTDMGIG-NRFANRHFSA-N 1 3 355.530 2.574 20 0 FFADHO CCCCc1nc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c[nH]1 ZINC001279360933 1043026952 /nfs/dbraw/zinc/02/69/52/1043026952.db2.gz CYQMJCLBYLFULP-UHFFFAOYSA-N 1 3 356.518 2.964 20 0 FFADHO CCCCc1nc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c[nH]1 ZINC001279360933 1043026954 /nfs/dbraw/zinc/02/69/54/1043026954.db2.gz CYQMJCLBYLFULP-UHFFFAOYSA-N 1 3 356.518 2.964 20 0 FFADHO c1n[nH]cc1C[N@@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]2CC1 ZINC001279361050 1043027203 /nfs/dbraw/zinc/02/72/03/1043027203.db2.gz HUNSAURFHMQQBS-CALCHBBNSA-N 1 3 350.470 2.630 20 0 FFADHO c1n[nH]cc1C[N@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]2CC1 ZINC001279361050 1043027209 /nfs/dbraw/zinc/02/72/09/1043027209.db2.gz HUNSAURFHMQQBS-CALCHBBNSA-N 1 3 350.470 2.630 20 0 FFADHO COC(C)(C)CCC[C@H](C)CCN1C[C@@H]2CN(CC[NH+](C)C)C[C@H](C1)O2 ZINC001279495545 1043183289 /nfs/dbraw/zinc/18/32/89/1043183289.db2.gz SZXYWZASNAFASL-SLFFLAALSA-N 1 3 369.594 2.555 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)CCCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001279502183 1043197578 /nfs/dbraw/zinc/19/75/78/1043197578.db2.gz ODCJJNSQNZZKAC-PMACEKPBSA-N 1 3 357.542 2.775 20 0 FFADHO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)CCCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001279502183 1043197582 /nfs/dbraw/zinc/19/75/82/1043197582.db2.gz ODCJJNSQNZZKAC-PMACEKPBSA-N 1 3 357.542 2.775 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4ncsc4C)C[C@H]3CC2)n(C)n1 ZINC001279560825 1043256817 /nfs/dbraw/zinc/25/68/17/1043256817.db2.gz FXRYLDGLNKPBLB-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4ncsc4C)C[C@H]3CC2)n(C)n1 ZINC001279560825 1043256827 /nfs/dbraw/zinc/25/68/27/1043256827.db2.gz FXRYLDGLNKPBLB-CALCHBBNSA-N 1 3 359.543 2.837 20 0 FFADHO C[C@H](CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12)C(F)(F)F ZINC001278153309 1043394246 /nfs/dbraw/zinc/39/42/46/1043394246.db2.gz XYGYYBNRUPTPAY-KBMXLJTQSA-N 1 3 373.463 2.640 20 0 FFADHO C[C@H](CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12)C(F)(F)F ZINC001278153309 1043394252 /nfs/dbraw/zinc/39/42/52/1043394252.db2.gz XYGYYBNRUPTPAY-KBMXLJTQSA-N 1 3 373.463 2.640 20 0 FFADHO COCCCC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C)CC2)CC1 ZINC001279727047 1043538132 /nfs/dbraw/zinc/53/81/32/1043538132.db2.gz QHQRIWOBZSKMPE-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1cnc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C)c1 ZINC001238428477 1043700406 /nfs/dbraw/zinc/70/04/06/1043700406.db2.gz HXBDQKZEPAYYOP-NHCUHLMSSA-N 1 3 370.541 2.606 20 0 FFADHO Cc1nc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ccc1Cl ZINC001279935734 1043945343 /nfs/dbraw/zinc/94/53/43/1043945343.db2.gz VNBICMQKFVFEGI-LJQANCHMSA-N 1 3 350.938 2.893 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC001311815394 1043985008 /nfs/dbraw/zinc/98/50/08/1043985008.db2.gz LGKORXXIBBVYHM-NRFANRHFSA-N 1 3 372.557 2.991 20 0 FFADHO CC[NH+](CC)CCn1cc(-c2cc(OC3CCN(C)CC3)ccn2)cn1 ZINC001239203249 1044069145 /nfs/dbraw/zinc/06/91/45/1044069145.db2.gz PKQUKQJSCZUXFL-UHFFFAOYSA-N 1 3 357.502 2.760 20 0 FFADHO C[C@H]1[C@H](NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC001312219886 1044072060 /nfs/dbraw/zinc/07/20/60/1044072060.db2.gz UVRHISFRTKDXRI-YQXATGRUSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@H]1[C@H](NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CCN1C ZINC001312219886 1044072071 /nfs/dbraw/zinc/07/20/71/1044072071.db2.gz UVRHISFRTKDXRI-YQXATGRUSA-N 1 3 358.530 2.535 20 0 FFADHO Cc1noc(-c2ccccc2)c1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217873 1044073515 /nfs/dbraw/zinc/07/35/15/1044073515.db2.gz VINRNSNTYVBUTH-INIZCTEOSA-N 1 3 369.469 2.646 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001280053940 1044142847 /nfs/dbraw/zinc/14/28/47/1044142847.db2.gz SEODTPBNJABARZ-BZUAXINKSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001280053940 1044142851 /nfs/dbraw/zinc/14/28/51/1044142851.db2.gz SEODTPBNJABARZ-BZUAXINKSA-N 1 3 365.468 2.633 20 0 FFADHO CCc1ccccc1CN1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001280096210 1044199922 /nfs/dbraw/zinc/19/99/22/1044199922.db2.gz MGEFACOBNWQKFU-SIKLNZKXSA-N 1 3 355.526 2.766 20 0 FFADHO CN1CCN(Cc2cccc(-c3cccc(Cn4cc[nH+]c4N)c3)c2)CC1 ZINC001240304053 1044308405 /nfs/dbraw/zinc/30/84/05/1044308405.db2.gz UEBDXVNLEKVWBZ-UHFFFAOYSA-N 1 3 361.493 2.928 20 0 FFADHO Cc1c(F)cc(F)cc1CN1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001278322147 1044467094 /nfs/dbraw/zinc/46/70/94/1044467094.db2.gz QAHOUATWULWEKK-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO Cc1c(F)cc(F)cc1CN1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001278322147 1044467097 /nfs/dbraw/zinc/46/70/97/1044467097.db2.gz QAHOUATWULWEKK-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO CCN1CCN(c2ccc(-c3cccc(N4CCC([NH3+])CC4)n3)cc2)CC1 ZINC001241742200 1044584317 /nfs/dbraw/zinc/58/43/17/1044584317.db2.gz GDMDZSVDVCYELV-UHFFFAOYSA-N 1 3 365.525 2.818 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)o1 ZINC001318465718 1045306840 /nfs/dbraw/zinc/30/68/40/1045306840.db2.gz RQNURIXSTLICBE-QZTJIDSGSA-N 1 3 350.507 2.534 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001318502008 1045316023 /nfs/dbraw/zinc/31/60/23/1045316023.db2.gz FIJRYAMGXJGEON-GTAWCEEGSA-N 1 3 358.530 2.994 20 0 FFADHO COc1cccc(/C=C/CCN2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001323228431 1045512460 /nfs/dbraw/zinc/51/24/60/1045512460.db2.gz XTUGDUHTMACZGY-GMYFXWSWSA-N 1 3 371.525 2.629 20 0 FFADHO COc1cccc(/C=C/CCN2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001323228431 1045512464 /nfs/dbraw/zinc/51/24/64/1045512464.db2.gz XTUGDUHTMACZGY-GMYFXWSWSA-N 1 3 371.525 2.629 20 0 FFADHO C[C@H]1CN(Cc2ccc(-c3cnn(C)c3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001321496245 1045684660 /nfs/dbraw/zinc/68/46/60/1045684660.db2.gz JIKHCBRWJNKWHP-PGRDOPGGSA-N 1 3 367.541 2.545 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001321843973 1045833093 /nfs/dbraw/zinc/83/30/93/1045833093.db2.gz HKHGGJQNOWNWEC-WOJBJXKFSA-N 1 3 360.546 2.941 20 0 FFADHO C[C@@H](Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001288676469 1047497528 /nfs/dbraw/zinc/49/75/28/1047497528.db2.gz CPUMCJQVFIJHRQ-INIZCTEOSA-N 1 3 374.577 2.590 20 0 FFADHO C[C@@H](Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001288676469 1047497529 /nfs/dbraw/zinc/49/75/29/1047497529.db2.gz CPUMCJQVFIJHRQ-INIZCTEOSA-N 1 3 374.577 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(NCc3nocc3C)CC2)CC[N@@H+]1C ZINC001327449189 1047899142 /nfs/dbraw/zinc/89/91/42/1047899142.db2.gz LOCIPWAYAMJEMS-FUHWJXTLSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(NCc3nocc3C)CC2)CC[N@H+]1C ZINC001327449189 1047899152 /nfs/dbraw/zinc/89/91/52/1047899152.db2.gz LOCIPWAYAMJEMS-FUHWJXTLSA-N 1 3 362.518 2.574 20 0 FFADHO C[C@@H](NCC[Si](C)(C)CC[NH2+][C@@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC001328864067 1048493858 /nfs/dbraw/zinc/49/38/58/1048493858.db2.gz FJHBOFPAYOJXCJ-IYBDPMFKSA-N 1 3 362.598 2.863 20 0 FFADHO C[C@@H]([NH2+]CC[Si](C)(C)CCN[C@@H](C)c1ccn(C)n1)c1ccn(C)n1 ZINC001328864067 1048493863 /nfs/dbraw/zinc/49/38/63/1048493863.db2.gz FJHBOFPAYOJXCJ-IYBDPMFKSA-N 1 3 362.598 2.863 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC001329251531 1048635332 /nfs/dbraw/zinc/63/53/32/1048635332.db2.gz FOSMYDKDVJVGKO-VQTJNVASSA-N 1 3 358.530 2.731 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC001329251531 1048635335 /nfs/dbraw/zinc/63/53/35/1048635335.db2.gz FOSMYDKDVJVGKO-VQTJNVASSA-N 1 3 358.530 2.731 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1)c1ccccc1 ZINC001333666824 1049041630 /nfs/dbraw/zinc/04/16/30/1049041630.db2.gz QMZNPABGUJXWNX-WCIQWLHISA-N 1 3 358.530 2.661 20 0 FFADHO C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cc(F)ccc2Cl)C1 ZINC001316660047 1050044083 /nfs/dbraw/zinc/04/40/83/1050044083.db2.gz YSVLTIJJRPKJTO-XJKSGUPXSA-N 1 3 355.885 2.805 20 0 FFADHO CC[C@@H](CNC(=O)C1(C2CC[NH2+]CC2)CC1)N1CCc2ccccc2C1 ZINC001341555803 1050183568 /nfs/dbraw/zinc/18/35/68/1050183568.db2.gz NYMZYAZFMFMPDF-FQEVSTJZSA-N 1 3 355.526 2.719 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)[NH+](C)C)cc1 ZINC001341658607 1050284120 /nfs/dbraw/zinc/28/41/20/1050284120.db2.gz IGKFUIFQNDAVIS-TZIWHRDSSA-N 1 3 364.493 2.765 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341673230 1050296363 /nfs/dbraw/zinc/29/63/63/1050296363.db2.gz AOFVYVJVPBXERY-TWMKSMIVSA-N 1 3 369.431 2.579 20 0 FFADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001341715704 1050335365 /nfs/dbraw/zinc/33/53/65/1050335365.db2.gz CLDBCKNUNCKWDV-QGZVFWFLSA-N 1 3 366.465 2.521 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC001341805148 1050417780 /nfs/dbraw/zinc/41/77/80/1050417780.db2.gz FQZVBXPRNDQGBA-NRFANRHFSA-N 1 3 367.493 2.763 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)c1cnc(CC2CC[NH2+]CC2)s1 ZINC001340018558 1050430573 /nfs/dbraw/zinc/43/05/73/1050430573.db2.gz GKWXZOIUORSCPV-UHFFFAOYSA-N 1 3 372.538 2.677 20 0 FFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc2c1OCCNC2 ZINC001340027944 1050439482 /nfs/dbraw/zinc/43/94/82/1050439482.db2.gz WVJTUJMMOOPZEO-UHFFFAOYSA-N 1 3 365.477 2.694 20 0 FFADHO CN(CC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)CC(C)(C)C ZINC001342413405 1051009239 /nfs/dbraw/zinc/00/92/39/1051009239.db2.gz AZKLAZXTKMKZRY-QGZVFWFLSA-N 1 3 359.514 2.727 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(c2nnc(C3CC3)n2CCN2CC=CCC2)CC1 ZINC001302195821 1051060703 /nfs/dbraw/zinc/06/07/03/1051060703.db2.gz WZABSMCFDVYTFH-UHFFFAOYSA-N 1 3 372.561 2.728 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(c2nnc(C3CC3)n2CCN2CC=CCC2)CC1 ZINC001302195821 1051060715 /nfs/dbraw/zinc/06/07/15/1051060715.db2.gz WZABSMCFDVYTFH-UHFFFAOYSA-N 1 3 372.561 2.728 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H](C[C@H]3COCCN3)c3ccccc32)cc1 ZINC001345193976 1052311599 /nfs/dbraw/zinc/31/15/99/1052311599.db2.gz XSDVGRVOIGLPIL-IPELMVKDSA-N 1 3 365.477 2.829 20 0 FFADHO C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H](C[C@H]3COCCN3)c3ccccc32)cc1 ZINC001345193982 1052311619 /nfs/dbraw/zinc/31/16/19/1052311619.db2.gz XSDVGRVOIGLPIL-SNRMKQJTSA-N 1 3 365.477 2.829 20 0 FFADHO COCC[NH+](CCOC)C1CCN(CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001307749414 1052344735 /nfs/dbraw/zinc/34/47/35/1052344735.db2.gz NSFPLHXVEXLKKV-FQEVSTJZSA-N 1 3 368.562 2.785 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC001307989561 1052377508 /nfs/dbraw/zinc/37/75/08/1052377508.db2.gz STNPWZRCPNCXCD-OLZOCXBDSA-N 1 3 357.267 2.851 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@@H]2C1 ZINC001307989561 1052377513 /nfs/dbraw/zinc/37/75/13/1052377513.db2.gz STNPWZRCPNCXCD-OLZOCXBDSA-N 1 3 357.267 2.851 20 0 FFADHO Cn1nc(C(=O)OC(C)(C)C)cc1CNCCCCC[NH+]1CCCC1 ZINC001308785910 1052498650 /nfs/dbraw/zinc/49/86/50/1052498650.db2.gz CDCIZLFTHZNXAS-UHFFFAOYSA-N 1 3 350.507 2.731 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)C2 ZINC001335447690 1053368693 /nfs/dbraw/zinc/36/86/93/1053368693.db2.gz IKURHAGUNJHLDK-OJAHFUOMSA-N 1 3 356.514 2.735 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCCN1C ZINC001348129514 1054677228 /nfs/dbraw/zinc/67/72/28/1054677228.db2.gz WMLAESQIYPKEID-UXHICEINSA-N 1 3 373.545 2.562 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCCN1C ZINC001348129514 1054677233 /nfs/dbraw/zinc/67/72/33/1054677233.db2.gz WMLAESQIYPKEID-UXHICEINSA-N 1 3 373.545 2.562 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H](O)CCc3ccccc3)c2)CC1 ZINC001348957907 1055018752 /nfs/dbraw/zinc/01/87/52/1055018752.db2.gz MOIAKIXTAQTQJN-HSZRJFAPSA-N 1 3 367.537 2.517 20 0 FFADHO [NH2+]=C(NCC1(CO)CCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849078393 1055630839 /nfs/dbraw/zinc/63/08/39/1055630839.db2.gz ROOJERJFXKDIIU-UHFFFAOYSA-N 1 3 358.530 2.708 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc2c(c1)OCCNC2 ZINC001357385764 1055887710 /nfs/dbraw/zinc/88/77/10/1055887710.db2.gz ZPXNOVZIXBCCIL-UHFFFAOYSA-N 1 3 357.498 2.553 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001338887909 1055905219 /nfs/dbraw/zinc/90/52/19/1055905219.db2.gz POVODLUNGVIZCP-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO [NH3+][C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CCCCCC1 ZINC001357842890 1056034437 /nfs/dbraw/zinc/03/44/37/1056034437.db2.gz HNIUFRVPVXTMFP-FQEVSTJZSA-N 1 3 358.530 2.708 20 0 FFADHO COc1ccc(NC(=[NH2+])NCC(C)(C)N2CCC(OC)CC2)cc1OC ZINC000849102122 1056760211 /nfs/dbraw/zinc/76/02/11/1056760211.db2.gz YBOQAQHOBOXCSI-UHFFFAOYSA-N 1 3 364.490 2.529 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849274532 1056817275 /nfs/dbraw/zinc/81/72/75/1056817275.db2.gz ZVJOJKNEGCVDKT-IBGZPJMESA-N 1 3 374.598 2.988 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849274532 1056817285 /nfs/dbraw/zinc/81/72/85/1056817285.db2.gz ZVJOJKNEGCVDKT-IBGZPJMESA-N 1 3 374.598 2.988 20 0 FFADHO CC[C@H](C)[N@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001513138157 1058206290 /nfs/dbraw/zinc/20/62/90/1058206290.db2.gz FATATARYPCFDFN-KRWDZBQOSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001513138157 1058206326 /nfs/dbraw/zinc/20/63/26/1058206326.db2.gz FATATARYPCFDFN-KRWDZBQOSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNC/C(Cl)=C/Cl)C2)CC[N@@H+]1C ZINC001500348281 1058472132 /nfs/dbraw/zinc/47/21/32/1058472132.db2.gz XCSLNPLERIPTMC-WBBSXCCJSA-N 1 3 362.345 2.864 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNC/C(Cl)=C/Cl)C2)CC[N@H+]1C ZINC001500348281 1058472138 /nfs/dbraw/zinc/47/21/38/1058472138.db2.gz XCSLNPLERIPTMC-WBBSXCCJSA-N 1 3 362.345 2.864 20 0 FFADHO CC[NH+](CC)[C@H](C)Cn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001501980817 1058749571 /nfs/dbraw/zinc/74/95/71/1058749571.db2.gz MBDJHMMXBSVISK-QGZVFWFLSA-N 1 3 362.566 2.664 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC001502247459 1058788721 /nfs/dbraw/zinc/78/87/21/1058788721.db2.gz LQIPHQZLSBJMFI-DLBZAZTESA-N 1 3 362.566 2.770 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001502255204 1058792896 /nfs/dbraw/zinc/79/28/96/1058792896.db2.gz ICRSZALCAMOQHZ-QZTJIDSGSA-N 1 3 374.577 2.950 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001515827894 1059820973 /nfs/dbraw/zinc/82/09/73/1059820973.db2.gz OINXOOZYQQGERA-SJORKVTESA-N 1 3 374.577 2.634 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001515827894 1059820993 /nfs/dbraw/zinc/82/09/93/1059820993.db2.gz OINXOOZYQQGERA-SJORKVTESA-N 1 3 374.577 2.634 20 0 FFADHO CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)(c2ccccc2)CC1 ZINC001455762858 1059903301 /nfs/dbraw/zinc/90/33/01/1059903301.db2.gz URERUNCVKNTONF-VQTJNVASSA-N 1 3 355.526 2.735 20 0 FFADHO CC[N@H+](CCn1c(C(C)C)nnc1N1CCN(C(C)(C)C)CC1)C1CC1 ZINC001547579644 1071973986 /nfs/dbraw/zinc/97/39/86/1071973986.db2.gz MGZAXIKDPSGDFP-UHFFFAOYSA-N 1 3 362.566 2.806 20 0 FFADHO CC[N@@H+](CCn1c(C(C)C)nnc1N1CCN(C(C)(C)C)CC1)C1CC1 ZINC001547579644 1071973989 /nfs/dbraw/zinc/97/39/89/1071973989.db2.gz MGZAXIKDPSGDFP-UHFFFAOYSA-N 1 3 362.566 2.806 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC001477286634 1061652106 /nfs/dbraw/zinc/65/21/06/1061652106.db2.gz AJUIVJHUQROMBM-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC001477286634 1061652114 /nfs/dbraw/zinc/65/21/14/1061652114.db2.gz AJUIVJHUQROMBM-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO CC(C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCN1CC=CCC1 ZINC001359698832 1061669866 /nfs/dbraw/zinc/66/98/66/1061669866.db2.gz MEQIAVPYVQJUHU-IBGZPJMESA-N 1 3 372.561 2.728 20 0 FFADHO C[C@H](Cn1c(C2CCC2)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001360557620 1061987027 /nfs/dbraw/zinc/98/70/27/1061987027.db2.gz CJCAHCVOAWLQEQ-MRXNPFEDSA-N 1 3 360.550 2.560 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001479033396 1062194283 /nfs/dbraw/zinc/19/42/83/1062194283.db2.gz RNBKXKNWPAKJMM-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001479033396 1062194289 /nfs/dbraw/zinc/19/42/89/1062194289.db2.gz RNBKXKNWPAKJMM-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CCCCC1 ZINC001479101522 1062224702 /nfs/dbraw/zinc/22/47/02/1062224702.db2.gz FIFVVBTYIBKIFE-AZUAARDMSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CCCCC1 ZINC001479101522 1062224720 /nfs/dbraw/zinc/22/47/20/1062224720.db2.gz FIFVVBTYIBKIFE-AZUAARDMSA-N 1 3 358.530 2.540 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001492897157 1062258796 /nfs/dbraw/zinc/25/87/96/1062258796.db2.gz WTQJXNATHDCTKW-KRWDZBQOSA-N 1 3 362.566 2.772 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001492897157 1062258812 /nfs/dbraw/zinc/25/88/12/1062258812.db2.gz WTQJXNATHDCTKW-KRWDZBQOSA-N 1 3 362.566 2.772 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001435139444 1062402416 /nfs/dbraw/zinc/40/24/16/1062402416.db2.gz VVQLJCZVLJDODL-QGZVFWFLSA-N 1 3 353.576 2.727 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC001479490882 1062476310 /nfs/dbraw/zinc/47/63/10/1062476310.db2.gz OFANTHZZUVOVDO-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC001479490882 1062476314 /nfs/dbraw/zinc/47/63/14/1062476314.db2.gz OFANTHZZUVOVDO-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC001479490882 1062476320 /nfs/dbraw/zinc/47/63/20/1062476320.db2.gz OFANTHZZUVOVDO-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC001479490882 1062476323 /nfs/dbraw/zinc/47/63/23/1062476323.db2.gz OFANTHZZUVOVDO-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC001469351268 1064134338 /nfs/dbraw/zinc/13/43/38/1064134338.db2.gz OSNCBWFXVOMXJF-NHCUHLMSSA-N 1 3 357.542 2.884 20 0 FFADHO CCCN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC001469351268 1064134341 /nfs/dbraw/zinc/13/43/41/1064134341.db2.gz OSNCBWFXVOMXJF-NHCUHLMSSA-N 1 3 357.542 2.884 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001470013220 1064244250 /nfs/dbraw/zinc/24/42/50/1064244250.db2.gz UZPWNXZECRXSGW-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001470013220 1064244254 /nfs/dbraw/zinc/24/42/54/1064244254.db2.gz UZPWNXZECRXSGW-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001470073233 1064252823 /nfs/dbraw/zinc/25/28/23/1064252823.db2.gz NGDVXDMFIOZUSH-WOJBJXKFSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001470073233 1064252832 /nfs/dbraw/zinc/25/28/32/1064252832.db2.gz NGDVXDMFIOZUSH-WOJBJXKFSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC001470653707 1064400561 /nfs/dbraw/zinc/40/05/61/1064400561.db2.gz OUYBAMCRDVXUBV-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001470653707 1064400564 /nfs/dbraw/zinc/40/05/64/1064400564.db2.gz OUYBAMCRDVXUBV-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC001470676951 1064409365 /nfs/dbraw/zinc/40/93/65/1064409365.db2.gz KQDXVLGJYFMMBG-BAJPUEBJSA-N 1 3 352.567 2.772 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC001470676951 1064409369 /nfs/dbraw/zinc/40/93/69/1064409369.db2.gz KQDXVLGJYFMMBG-BAJPUEBJSA-N 1 3 352.567 2.772 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001471044386 1064535643 /nfs/dbraw/zinc/53/56/43/1064535643.db2.gz UYICSHCDGCGUQM-PZJWPPBQSA-N 1 3 374.573 2.984 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001471044386 1064535655 /nfs/dbraw/zinc/53/56/55/1064535655.db2.gz UYICSHCDGCGUQM-PZJWPPBQSA-N 1 3 374.573 2.984 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC001471399267 1064663406 /nfs/dbraw/zinc/66/34/06/1064663406.db2.gz ZMYJJNBPHWCEER-BVJIBDCISA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC001471399267 1064663417 /nfs/dbraw/zinc/66/34/17/1064663417.db2.gz ZMYJJNBPHWCEER-BVJIBDCISA-N 1 3 370.541 2.679 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)Cc1ccccc1 ZINC001472471074 1065075476 /nfs/dbraw/zinc/07/54/76/1065075476.db2.gz YFVOBOMXGABAGW-FKBYEOEOSA-N 1 3 365.521 2.969 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)Cc1ccccc1 ZINC001472471074 1065075487 /nfs/dbraw/zinc/07/54/87/1065075487.db2.gz YFVOBOMXGABAGW-FKBYEOEOSA-N 1 3 365.521 2.969 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)Cc1ccccc1 ZINC001472471075 1065075712 /nfs/dbraw/zinc/07/57/12/1065075712.db2.gz YFVOBOMXGABAGW-FSSWDIPSSA-N 1 3 365.521 2.969 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)Cc1ccccc1 ZINC001472471075 1065075724 /nfs/dbraw/zinc/07/57/24/1065075724.db2.gz YFVOBOMXGABAGW-FSSWDIPSSA-N 1 3 365.521 2.969 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)N(C)C)cc1 ZINC001575648010 1078160178 /nfs/dbraw/zinc/16/01/78/1078160178.db2.gz FJHCQLBVGPLOSO-IYWMVGAKSA-N 1 3 358.530 2.680 20 0 FFADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001576095233 1078195006 /nfs/dbraw/zinc/19/50/06/1078195006.db2.gz CQRAXYDZNQAQPI-QZTJIDSGSA-N 1 3 358.530 2.952 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(c2nnc(C3CC3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001576125479 1078198426 /nfs/dbraw/zinc/19/84/26/1078198426.db2.gz AZUICESXHIDVCO-NUEKZKHPSA-N 1 3 374.558 2.693 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC001577495420 1078367290 /nfs/dbraw/zinc/36/72/90/1078367290.db2.gz JOXIRICJZGNIBL-IAOVAPTHSA-N 1 3 352.910 2.854 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H]([NH3+])C1)c1ccco1 ZINC001577684962 1078387844 /nfs/dbraw/zinc/38/78/44/1078387844.db2.gz QILRYPVUZAMIAB-HOTGVXAUSA-N 1 3 360.506 2.615 20 0 FFADHO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578210147 1078451883 /nfs/dbraw/zinc/45/18/83/1078451883.db2.gz QOXVUAXQZIVJNB-YOWGUQMCSA-N 1 3 356.919 2.754 20 0 FFADHO CCc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC[NH2+]C)cc1 ZINC001578251499 1078456121 /nfs/dbraw/zinc/45/61/21/1078456121.db2.gz NKZFJNVYRCTFON-UHFFFAOYSA-N 1 3 370.545 2.505 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001578271363 1078457676 /nfs/dbraw/zinc/45/76/76/1078457676.db2.gz BIHYGQGDECEFND-HXUWFJFHSA-N 1 3 358.530 2.909 20 0 FFADHO CN(C)[C@H](Cn1c(C2CCC2)nnc1N1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC001578407684 1078470358 /nfs/dbraw/zinc/47/03/58/1078470358.db2.gz BALHQVCJAVHSKE-QZTJIDSGSA-N 1 3 372.492 2.525 20 0 FFADHO COC(=O)c1oc([C@H](C)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC001578887493 1078539960 /nfs/dbraw/zinc/53/99/60/1078539960.db2.gz BCJRRGAXEVBUPI-QRTARXTBSA-N 1 3 350.459 2.654 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CNC[C@H](c2ccccc2)C(F)(F)F)cnn1C ZINC001579530974 1078639728 /nfs/dbraw/zinc/63/97/28/1078639728.db2.gz ZWRAHRHBYPNIBT-WMLDXEAASA-N 1 3 354.420 2.782 20 0 FFADHO [NH3+][C@@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)C1CCCCC1 ZINC001580109874 1078750742 /nfs/dbraw/zinc/75/07/42/1078750742.db2.gz PYHAPYXOWROJSE-HXUWFJFHSA-N 1 3 352.482 2.791 20 0 FFADHO c1cn(CCCC2CCN(Cc3ccc(N4CC[NH2+]CC4)o3)CC2)cn1 ZINC001580896686 1078887677 /nfs/dbraw/zinc/88/76/77/1078887677.db2.gz NHMDXWAWDODMIE-UHFFFAOYSA-N 1 3 357.502 2.578 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC001549523008 1073897369 /nfs/dbraw/zinc/89/73/69/1073897369.db2.gz JFFBTFASCAQTQF-RBUKOAKNSA-N 1 3 356.445 2.846 20 0 FFADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H](CN1CCCC1)c1ccccc1 ZINC001550280765 1074196940 /nfs/dbraw/zinc/19/69/40/1074196940.db2.gz GSPAWQISXBEIMJ-ZNBHLAFESA-N 1 3 356.514 2.653 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550288077 1074199724 /nfs/dbraw/zinc/19/97/24/1074199724.db2.gz OZVMRUVELSJBIY-AEOXZHQRSA-N 1 3 356.514 2.652 20 0 FFADHO COc1ccc([C@H](C)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(F)c1 ZINC001550352675 1074225086 /nfs/dbraw/zinc/22/50/86/1074225086.db2.gz NYPLACAPVVOCEF-IZZXSCACSA-N 1 3 350.478 2.965 20 0 FFADHO COc1ccc([C@H](C)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)c(F)c1 ZINC001550352675 1074225091 /nfs/dbraw/zinc/22/50/91/1074225091.db2.gz NYPLACAPVVOCEF-IZZXSCACSA-N 1 3 350.478 2.965 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@@H]1C(C)C ZINC001550423115 1074260949 /nfs/dbraw/zinc/26/09/49/1074260949.db2.gz HZXNDVCOXVXFFE-NTLWEQJWSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@@H]1C(C)C ZINC001550423115 1074260954 /nfs/dbraw/zinc/26/09/54/1074260954.db2.gz HZXNDVCOXVXFFE-NTLWEQJWSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cccc(OC)c3F)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423774 1074262245 /nfs/dbraw/zinc/26/22/45/1074262245.db2.gz RNZSOLXAUMODEN-GJJHYRHESA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cccc(OC)c3F)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423774 1074262251 /nfs/dbraw/zinc/26/22/51/1074262251.db2.gz RNZSOLXAUMODEN-GJJHYRHESA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(OC)cc3F)C2)[C@H]1C(C)C ZINC001550423792 1074263213 /nfs/dbraw/zinc/26/32/13/1074263213.db2.gz RVCDRTGRDMPHIR-HAGHYFMRSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(OC)cc3F)C2)[C@H]1C(C)C ZINC001550423792 1074263217 /nfs/dbraw/zinc/26/32/17/1074263217.db2.gz RVCDRTGRDMPHIR-HAGHYFMRSA-N 1 3 350.478 2.794 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC001550423977 1074263757 /nfs/dbraw/zinc/26/37/57/1074263757.db2.gz VSBNSVFRWCAGGZ-IIZPIQPGSA-N 1 3 366.509 2.713 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(-c3ccccc3)nc1)C2 ZINC001550423977 1074263762 /nfs/dbraw/zinc/26/37/62/1074263762.db2.gz VSBNSVFRWCAGGZ-IIZPIQPGSA-N 1 3 366.509 2.713 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc(F)cc(OC)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424039 1074263923 /nfs/dbraw/zinc/26/39/23/1074263923.db2.gz XFVAOWNUCDCUEK-FYQPLNBISA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc(F)cc(OC)c3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424039 1074263927 /nfs/dbraw/zinc/26/39/27/1074263927.db2.gz XFVAOWNUCDCUEK-FYQPLNBISA-N 1 3 350.478 2.794 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)c2cccs2)CC1 ZINC001551601183 1074768970 /nfs/dbraw/zinc/76/89/70/1074768970.db2.gz LRCRRFORWNAJIU-QXCFYTAISA-N 1 3 362.543 2.700 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3C[C@H]3C3CC[NH2+]CC3)c2)CC1 ZINC001552156648 1075005642 /nfs/dbraw/zinc/00/56/42/1075005642.db2.gz DZSJANOWQRWTJO-SFTDATJTSA-N 1 3 370.541 2.791 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC001552359380 1075065638 /nfs/dbraw/zinc/06/56/38/1075065638.db2.gz BYBKHLLQNSFFCP-OALUTQOASA-N 1 3 357.523 2.771 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC001552359380 1075065642 /nfs/dbraw/zinc/06/56/42/1075065642.db2.gz BYBKHLLQNSFFCP-OALUTQOASA-N 1 3 357.523 2.771 20 0 FFADHO O=S1(=O)CC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c2ccccc21 ZINC001553025663 1075200935 /nfs/dbraw/zinc/20/09/35/1075200935.db2.gz MAJYRYFSEDCZKU-NEWSRXKRSA-N 1 3 362.539 2.706 20 0 FFADHO C[NH+](C)CCc1cccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC001556738950 1075770617 /nfs/dbraw/zinc/77/06/17/1075770617.db2.gz XRWBATXBWWRTEE-OAQYLSRUSA-N 1 3 367.493 2.610 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001558589413 1076041413 /nfs/dbraw/zinc/04/14/13/1076041413.db2.gz UZAJJTRPAMFLIF-WOJBJXKFSA-N 1 3 373.541 2.610 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCCN2C)[NH+]1CCCC1 ZINC001563600842 1076569543 /nfs/dbraw/zinc/56/95/43/1076569543.db2.gz SUWZDBKQXCCYAT-FHWLQOOXSA-N 1 3 350.551 2.765 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)[NH+]1CCCC1 ZINC001563600845 1076569787 /nfs/dbraw/zinc/56/97/87/1076569787.db2.gz SUWZDBKQXCCYAT-QYZOEREBSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001564447696 1076633240 /nfs/dbraw/zinc/63/32/40/1076633240.db2.gz NFPMRKGHIZUEEV-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001564447696 1076633242 /nfs/dbraw/zinc/63/32/42/1076633242.db2.gz NFPMRKGHIZUEEV-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC001565435039 1076729017 /nfs/dbraw/zinc/72/90/17/1076729017.db2.gz UGFGYHJNSMCXKB-SFHVURJKSA-N 1 3 366.937 2.898 20 0 FFADHO COCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001565983999 1076828222 /nfs/dbraw/zinc/82/82/22/1076828222.db2.gz AQRDTEPRJRKGMI-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO Cc1ncccc1C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001565986563 1076830711 /nfs/dbraw/zinc/83/07/11/1076830711.db2.gz FETFNQQZIRBFFT-OXQOHEQNSA-N 1 3 369.513 2.853 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(Cc3cc(C)ns3)C2)CC[N@@H+]1C ZINC001567699327 1077046304 /nfs/dbraw/zinc/04/63/04/1077046304.db2.gz JGWQQRXOQIXZFU-RYQLBKOJSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(Cc3cc(C)ns3)C2)CC[N@H+]1C ZINC001567699327 1077046308 /nfs/dbraw/zinc/04/63/08/1077046308.db2.gz JGWQQRXOQIXZFU-RYQLBKOJSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(Cl)ccc1OC ZINC001567958056 1077062598 /nfs/dbraw/zinc/06/25/98/1077062598.db2.gz HIYVEXXXPJQKEY-XOKHGSTOSA-N 1 3 367.921 2.673 20 0 FFADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(Cl)ccc1OC ZINC001567958056 1077062602 /nfs/dbraw/zinc/06/26/02/1077062602.db2.gz HIYVEXXXPJQKEY-XOKHGSTOSA-N 1 3 367.921 2.673 20 0 FFADHO CCCOc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001570712679 1077223643 /nfs/dbraw/zinc/22/36/43/1077223643.db2.gz PLSOEOZQHOCUFS-MBOZVWFJSA-N 1 3 361.530 2.752 20 0 FFADHO CCCOc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001570712679 1077223645 /nfs/dbraw/zinc/22/36/45/1077223645.db2.gz PLSOEOZQHOCUFS-MBOZVWFJSA-N 1 3 361.530 2.752 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@H]1C ZINC000372986093 512119566 /nfs/dbraw/zinc/11/95/66/512119566.db2.gz RZKZBZAOXGMEFR-FHWLQOOXSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1csc(=O)n1CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821206 250006084 /nfs/dbraw/zinc/00/60/84/250006084.db2.gz QCGFVUMTKVGAGY-UHFFFAOYSA-N 1 3 360.527 2.852 20 0 FFADHO Cc1csc(=O)n1CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821206 250006087 /nfs/dbraw/zinc/00/60/87/250006087.db2.gz QCGFVUMTKVGAGY-UHFFFAOYSA-N 1 3 360.527 2.852 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)[C@H]2C1 ZINC000272454182 252043301 /nfs/dbraw/zinc/04/33/01/252043301.db2.gz NAZNAMOXWYCWSN-IKGGRYGDSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)[C@H]2C1 ZINC000272454182 252043302 /nfs/dbraw/zinc/04/33/02/252043302.db2.gz NAZNAMOXWYCWSN-IKGGRYGDSA-N 1 3 362.543 2.621 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000272567839 252069917 /nfs/dbraw/zinc/06/99/17/252069917.db2.gz HQFBZUACFWIPAY-INIZCTEOSA-N 1 3 364.559 2.916 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272638634 252087559 /nfs/dbraw/zinc/08/75/59/252087559.db2.gz AVRQTSRYQQBHIQ-KRWDZBQOSA-N 1 3 358.530 2.976 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272638634 252087561 /nfs/dbraw/zinc/08/75/61/252087561.db2.gz AVRQTSRYQQBHIQ-KRWDZBQOSA-N 1 3 358.530 2.976 20 0 FFADHO NC(=O)[C@@H](Cc1ccc(F)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000272972359 252179233 /nfs/dbraw/zinc/17/92/33/252179233.db2.gz HSBDGZKMDOPHDM-OAQYLSRUSA-N 1 3 369.484 2.724 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000273001746 252186479 /nfs/dbraw/zinc/18/64/79/252186479.db2.gz RISWSBWXQDCGLD-GHTZIAJQSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000273001746 252186485 /nfs/dbraw/zinc/18/64/85/252186485.db2.gz RISWSBWXQDCGLD-GHTZIAJQSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000273001749 252187451 /nfs/dbraw/zinc/18/74/51/252187451.db2.gz RISWSBWXQDCGLD-WIYYLYMNSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000273001749 252187455 /nfs/dbraw/zinc/18/74/55/252187455.db2.gz RISWSBWXQDCGLD-WIYYLYMNSA-N 1 3 370.541 2.943 20 0 FFADHO CC(C)[NH+]1CCC(N2CCN(CCN(C)Cc3ccccc3)CC2)CC1 ZINC000275549477 256022497 /nfs/dbraw/zinc/02/24/97/256022497.db2.gz GCDDWKUZIVUOSD-UHFFFAOYSA-N 1 3 358.574 2.609 20 0 FFADHO CC1(C)CN(Cc2ccccc2C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000275412880 256002581 /nfs/dbraw/zinc/00/25/81/256002581.db2.gz GJIGDNHFPPVDFC-BGYRXZFFSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)CN(Cc2ccccc2C[N@H+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000275412880 256002583 /nfs/dbraw/zinc/00/25/83/256002583.db2.gz GJIGDNHFPPVDFC-BGYRXZFFSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2CN2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000275412880 256002584 /nfs/dbraw/zinc/00/25/84/256002584.db2.gz GJIGDNHFPPVDFC-BGYRXZFFSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2CN2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000275412880 256002585 /nfs/dbraw/zinc/00/25/85/256002585.db2.gz GJIGDNHFPPVDFC-BGYRXZFFSA-N 1 3 360.542 2.872 20 0 FFADHO CCOC1CC(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000286031186 257016982 /nfs/dbraw/zinc/01/69/82/257016982.db2.gz QJJMWCVTXWIUGY-ORFBVSJDSA-N 1 3 357.542 2.694 20 0 FFADHO CCOC1CC(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000286031186 257016983 /nfs/dbraw/zinc/01/69/83/257016983.db2.gz QJJMWCVTXWIUGY-ORFBVSJDSA-N 1 3 357.542 2.694 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000286162999 257023320 /nfs/dbraw/zinc/02/33/20/257023320.db2.gz QLQDOUHLNZGJNL-GOEBONIOSA-N 1 3 357.420 2.723 20 0 FFADHO COC[C@@H](NC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1F ZINC000287263896 257080380 /nfs/dbraw/zinc/08/03/80/257080380.db2.gz AOQAJALVRIJZMD-QGZVFWFLSA-N 1 3 357.901 2.782 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000288152696 257152535 /nfs/dbraw/zinc/15/25/35/257152535.db2.gz OFRYRVLZWSYLRR-XLIONFOSSA-N 1 3 358.530 2.821 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000289394934 257279026 /nfs/dbraw/zinc/27/90/26/257279026.db2.gz FPDRDRPWGXOJOE-UHFFFAOYSA-N 1 3 357.542 2.860 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000289745419 257296790 /nfs/dbraw/zinc/29/67/90/257296790.db2.gz MHTZHYXDGGUSGN-HNNXBMFYSA-N 1 3 369.351 2.912 20 0 FFADHO COCc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000289953460 257308409 /nfs/dbraw/zinc/30/84/09/257308409.db2.gz XZWIZDXHWOLPHV-UHFFFAOYSA-N 1 3 373.541 2.647 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000290870817 257362158 /nfs/dbraw/zinc/36/21/58/257362158.db2.gz KEVVZPUPFKQQSL-QRFRQXIXSA-N 1 3 361.530 2.923 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000290870817 257362159 /nfs/dbraw/zinc/36/21/59/257362159.db2.gz KEVVZPUPFKQQSL-QRFRQXIXSA-N 1 3 361.530 2.923 20 0 FFADHO COC(=O)CN1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000290904176 257363549 /nfs/dbraw/zinc/36/35/49/257363549.db2.gz MJHVSYFLLZSXTN-FQEVSTJZSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000298117470 257886918 /nfs/dbraw/zinc/88/69/18/257886918.db2.gz XVHXEHJORGNEHE-UZLBHIALSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000333240478 258257948 /nfs/dbraw/zinc/25/79/48/258257948.db2.gz DRPXCKROVBNNIZ-DRMAHVMPSA-N 1 3 355.482 2.572 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000373126508 512184457 /nfs/dbraw/zinc/18/44/57/512184457.db2.gz VIOPISZTKCRHTI-YFVAEKQCSA-N 1 3 370.541 2.948 20 0 FFADHO COCC[C@H]1CCCCN(CC(O)C[N@@H+]2CCCC[C@H](CCOC)C2)C1 ZINC000373183959 512210735 /nfs/dbraw/zinc/21/07/35/512210735.db2.gz ULPULRPFRSLUMC-WOJBJXKFSA-N 1 3 370.578 2.625 20 0 FFADHO COCC[C@H]1CCCCN(CC(O)C[N@H+]2CCCC[C@H](CCOC)C2)C1 ZINC000373183959 512210740 /nfs/dbraw/zinc/21/07/40/512210740.db2.gz ULPULRPFRSLUMC-WOJBJXKFSA-N 1 3 370.578 2.625 20 0 FFADHO Cc1ccc(N2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000369117890 512235703 /nfs/dbraw/zinc/23/57/03/512235703.db2.gz SLELAMRKQKQIHV-UHFFFAOYSA-N 1 3 358.574 2.923 20 0 FFADHO Cc1ccc(N2CCC[N@H+](CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000369117890 512235709 /nfs/dbraw/zinc/23/57/09/512235709.db2.gz SLELAMRKQKQIHV-UHFFFAOYSA-N 1 3 358.574 2.923 20 0 FFADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000375292412 512253066 /nfs/dbraw/zinc/25/30/66/512253066.db2.gz LFWIVMBJFDXMIZ-PZKPASOESA-N 1 3 357.542 2.945 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377430660 512265777 /nfs/dbraw/zinc/26/57/77/512265777.db2.gz ULRGPFMPCIMSGX-HSALFYBXSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377430660 512265778 /nfs/dbraw/zinc/26/57/78/512265778.db2.gz ULRGPFMPCIMSGX-HSALFYBXSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066175189 506434985 /nfs/dbraw/zinc/43/49/85/506434985.db2.gz CIUVFGZBFNLYBI-SJORKVTESA-N 1 3 362.543 2.765 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000053753783 506439848 /nfs/dbraw/zinc/43/98/48/506439848.db2.gz UYDNTHBDCQLABX-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000053753783 506439854 /nfs/dbraw/zinc/43/98/54/506439854.db2.gz UYDNTHBDCQLABX-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000054509445 506568162 /nfs/dbraw/zinc/56/81/62/506568162.db2.gz NUJFTVNEDIMFBT-FQEVSTJZSA-N 1 3 372.557 2.944 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000054509445 506568170 /nfs/dbraw/zinc/56/81/70/506568170.db2.gz NUJFTVNEDIMFBT-FQEVSTJZSA-N 1 3 372.557 2.944 20 0 FFADHO CC1(C)CC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000042910537 506678558 /nfs/dbraw/zinc/67/85/58/506678558.db2.gz AFMGXTKIIPWEMS-KRWDZBQOSA-N 1 3 358.530 2.869 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000067456380 506886311 /nfs/dbraw/zinc/88/63/11/506886311.db2.gz LRCIMHVGOKDGJK-HXUWFJFHSA-N 1 3 362.562 2.957 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000067456380 506886312 /nfs/dbraw/zinc/88/63/12/506886312.db2.gz LRCIMHVGOKDGJK-HXUWFJFHSA-N 1 3 362.562 2.957 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000373824945 512524235 /nfs/dbraw/zinc/52/42/35/512524235.db2.gz HNTHMGUUDULAOM-BHIYHBOVSA-N 1 3 350.551 2.908 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000373824945 512524237 /nfs/dbraw/zinc/52/42/37/512524237.db2.gz HNTHMGUUDULAOM-BHIYHBOVSA-N 1 3 350.551 2.908 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[NH+](C(C)C)C(C)C)o1 ZINC000056783548 507092010 /nfs/dbraw/zinc/09/20/10/507092010.db2.gz YOPPKFNEXJKJPU-UHFFFAOYSA-N 1 3 352.523 2.780 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068203684 507147957 /nfs/dbraw/zinc/14/79/57/507147957.db2.gz CNWKAWBZALTVBD-DFQSSKMNSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068203684 507147961 /nfs/dbraw/zinc/14/79/61/507147961.db2.gz CNWKAWBZALTVBD-DFQSSKMNSA-N 1 3 359.489 2.781 20 0 FFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000377559484 512326525 /nfs/dbraw/zinc/32/65/25/512326525.db2.gz CXNUJBFNJTXKMJ-WMZOPIPTSA-N 1 3 357.502 2.572 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@H+](CC)C3)c(C)c2)CC1 ZINC000046956718 507236109 /nfs/dbraw/zinc/23/61/09/507236109.db2.gz AHUQRENVRIZQBJ-GOSISDBHSA-N 1 3 373.545 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@@H+](CC)C3)c(C)c2)CC1 ZINC000046956718 507236113 /nfs/dbraw/zinc/23/61/13/507236113.db2.gz AHUQRENVRIZQBJ-GOSISDBHSA-N 1 3 373.545 2.600 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068584961 507278708 /nfs/dbraw/zinc/27/87/08/507278708.db2.gz GEAIITFXSJLOIU-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068584961 507278714 /nfs/dbraw/zinc/27/87/14/507278714.db2.gz GEAIITFXSJLOIU-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000068592717 507280425 /nfs/dbraw/zinc/28/04/25/507280425.db2.gz AOMPMYPFKIMSOU-HNNXBMFYSA-N 1 3 354.926 2.753 20 0 FFADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000069780937 507557690 /nfs/dbraw/zinc/55/76/90/507557690.db2.gz JSZOBAFRVHMTSA-QZTJIDSGSA-N 1 3 352.567 2.869 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000050797060 507713016 /nfs/dbraw/zinc/71/30/16/507713016.db2.gz JWPBTDCPQBUQQI-UHFFFAOYSA-N 1 3 371.525 2.764 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cccc(Cl)c3)CC2)CC1 ZINC000050800075 507713158 /nfs/dbraw/zinc/71/31/58/507713158.db2.gz BOIVTNQVNKWCEF-UHFFFAOYSA-N 1 3 363.933 2.947 20 0 FFADHO CCOc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797037 507714073 /nfs/dbraw/zinc/71/40/73/507714073.db2.gz DNWJUEAFLGYYNH-UHFFFAOYSA-N 1 3 373.541 2.693 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccccc3)C3CC3)CC2)CC1 ZINC000051243533 507753924 /nfs/dbraw/zinc/75/39/24/507753924.db2.gz FQSGASMUGQEJMI-OAQYLSRUSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072815232 507857050 /nfs/dbraw/zinc/85/70/50/507857050.db2.gz XLQXTGFISLDQKX-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072815232 507857053 /nfs/dbraw/zinc/85/70/53/507857053.db2.gz XLQXTGFISLDQKX-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000107696655 507863323 /nfs/dbraw/zinc/86/33/23/507863323.db2.gz CPPXKZSPLJKCBK-ROUUACIJSA-N 1 3 352.567 2.918 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)NCC1(N2CCSCC2)CCCC1 ZINC000078602113 507887949 /nfs/dbraw/zinc/88/79/49/507887949.db2.gz ZNHWDNGNSSPKPJ-UHFFFAOYSA-N 1 3 368.591 2.523 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000108568294 507905316 /nfs/dbraw/zinc/90/53/16/507905316.db2.gz BQQNSJRRAOGNRS-SJORKVTESA-N 1 3 364.559 2.601 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000108568294 507905318 /nfs/dbraw/zinc/90/53/18/507905318.db2.gz BQQNSJRRAOGNRS-SJORKVTESA-N 1 3 364.559 2.601 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079007789 507924057 /nfs/dbraw/zinc/92/40/57/507924057.db2.gz AATYVHJXPNJPSR-PXNSSMCTSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079007789 507924060 /nfs/dbraw/zinc/92/40/60/507924060.db2.gz AATYVHJXPNJPSR-PXNSSMCTSA-N 1 3 356.514 2.607 20 0 FFADHO CN(Cc1ccc(-c2cnn(C)c2)s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377634630 512368223 /nfs/dbraw/zinc/36/82/23/512368223.db2.gz XWYSJIYRBXLPCB-SFHVURJKSA-N 1 3 373.570 2.749 20 0 FFADHO CN(Cc1ccc(-c2cnn(C)c2)s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377634630 512368227 /nfs/dbraw/zinc/36/82/27/512368227.db2.gz XWYSJIYRBXLPCB-SFHVURJKSA-N 1 3 373.570 2.749 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000073551016 507930710 /nfs/dbraw/zinc/93/07/10/507930710.db2.gz PZCGVTPOZIVJKC-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000079167080 507939853 /nfs/dbraw/zinc/93/98/53/507939853.db2.gz QUYREFPSQIADBF-UHFFFAOYSA-N 1 3 374.573 2.923 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073649203 507943037 /nfs/dbraw/zinc/94/30/37/507943037.db2.gz GNRQNDJKOGLJSC-LJQANCHMSA-N 1 3 358.530 2.987 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079224161 507946450 /nfs/dbraw/zinc/94/64/50/507946450.db2.gz VORNYJIYOPWQOE-DOTOQJQBSA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079224161 507946453 /nfs/dbraw/zinc/94/64/53/507946453.db2.gz VORNYJIYOPWQOE-DOTOQJQBSA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NCCC[NH2+]C1CCCCC1)NCC1CCN(c2ccncc2)CC1 ZINC000091233160 507972056 /nfs/dbraw/zinc/97/20/56/507972056.db2.gz OWFPSBUBYNLBIG-UHFFFAOYSA-N 1 3 373.545 2.910 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000091233140 507972100 /nfs/dbraw/zinc/97/21/00/507972100.db2.gz NKVAUZNPAOHZJA-YLJYHZDGSA-N 1 3 373.545 2.670 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000091233140 507972102 /nfs/dbraw/zinc/97/21/02/507972102.db2.gz NKVAUZNPAOHZJA-YLJYHZDGSA-N 1 3 373.545 2.670 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000074067352 507983383 /nfs/dbraw/zinc/98/33/83/507983383.db2.gz VQDMUQCTOGMLKY-HXUWFJFHSA-N 1 3 372.557 2.532 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000074067352 507983384 /nfs/dbraw/zinc/98/33/84/507983384.db2.gz VQDMUQCTOGMLKY-HXUWFJFHSA-N 1 3 372.557 2.532 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000074876052 508066443 /nfs/dbraw/zinc/06/64/43/508066443.db2.gz GEJTXLIFUUVJKM-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000074876052 508066447 /nfs/dbraw/zinc/06/64/47/508066447.db2.gz GEJTXLIFUUVJKM-FXAWDEMLSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000111491644 508104402 /nfs/dbraw/zinc/10/44/02/508104402.db2.gz HAZLNYSKRKUULP-HRAATJIYSA-N 1 3 370.541 2.778 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093281323 508134553 /nfs/dbraw/zinc/13/45/53/508134553.db2.gz CNOSOAHICDHQTJ-QGZVFWFLSA-N 1 3 364.538 2.518 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093281323 508134554 /nfs/dbraw/zinc/13/45/54/508134554.db2.gz CNOSOAHICDHQTJ-QGZVFWFLSA-N 1 3 364.538 2.518 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000112448277 508186886 /nfs/dbraw/zinc/18/68/86/508186886.db2.gz IIWNGNJQJQTVNA-QGZVFWFLSA-N 1 3 366.575 2.991 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000112448277 508186888 /nfs/dbraw/zinc/18/68/88/508186888.db2.gz IIWNGNJQJQTVNA-QGZVFWFLSA-N 1 3 366.575 2.991 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2n1C ZINC000101518433 508242222 /nfs/dbraw/zinc/24/22/22/508242222.db2.gz CXMPLQQMYAVAIQ-SFHVURJKSA-N 1 3 356.514 2.666 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2n1C ZINC000101518433 508242223 /nfs/dbraw/zinc/24/22/23/508242223.db2.gz CXMPLQQMYAVAIQ-SFHVURJKSA-N 1 3 356.514 2.666 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000084437618 508279254 /nfs/dbraw/zinc/27/92/54/508279254.db2.gz NTJMLBLSAIJBMO-KRWDZBQOSA-N 1 3 366.575 2.942 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000084437618 508279257 /nfs/dbraw/zinc/27/92/57/508279257.db2.gz NTJMLBLSAIJBMO-KRWDZBQOSA-N 1 3 366.575 2.942 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000103298802 508305332 /nfs/dbraw/zinc/30/53/32/508305332.db2.gz ASIPSKHCHCARGF-HXUWFJFHSA-N 1 3 360.546 2.883 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000103313716 508306787 /nfs/dbraw/zinc/30/67/87/508306787.db2.gz XHCIJJMRPCOOBZ-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)c(-c2ccccc2)cc1OC ZINC000077450219 508317701 /nfs/dbraw/zinc/31/77/01/508317701.db2.gz OIBIQESRBLFCCZ-UHFFFAOYSA-N 1 3 370.493 2.917 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000077527835 508328782 /nfs/dbraw/zinc/32/87/82/508328782.db2.gz QYKMDIPRAVENBF-SFHVURJKSA-N 1 3 370.541 2.919 20 0 FFADHO C[NH+](C)CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000114674919 508336032 /nfs/dbraw/zinc/33/60/32/508336032.db2.gz IUMTXYPWAJZHBD-QGZVFWFLSA-N 1 3 357.420 2.509 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000105123964 508362392 /nfs/dbraw/zinc/36/23/92/508362392.db2.gz TYUHVCUTYFSRSS-IAGOWNOFSA-N 1 3 352.548 2.867 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000105149782 508363203 /nfs/dbraw/zinc/36/32/03/508363203.db2.gz QMLZWQAAMHPWPB-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000105149782 508363206 /nfs/dbraw/zinc/36/32/06/508363206.db2.gz QMLZWQAAMHPWPB-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CC1CCN(CCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000077774189 508371057 /nfs/dbraw/zinc/37/10/57/508371057.db2.gz PQHMPUNEJBQALD-UHFFFAOYSA-N 1 3 372.557 2.725 20 0 FFADHO C[NH+]1CCC(CCNCc2cc3c(cc2Br)OCO3)CC1 ZINC000105454551 508373548 /nfs/dbraw/zinc/37/35/48/508373548.db2.gz JHPXPKZBCHWDOS-UHFFFAOYSA-N 1 3 355.276 2.999 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N(CCN(C)C)Cc2ccco2)([NH+](C)C)C1 ZINC000088505837 508373997 /nfs/dbraw/zinc/37/39/97/508373997.db2.gz OFUUJZGMPIPOBN-YLJYHZDGSA-N 1 3 364.534 2.863 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127239645 508419681 /nfs/dbraw/zinc/41/96/81/508419681.db2.gz LGNVESGERIOMKW-FUHWJXTLSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000135427139 508603113 /nfs/dbraw/zinc/60/31/13/508603113.db2.gz RPSSKPICLKPDBC-GGPKGHCWSA-N 1 3 372.557 2.784 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000158098695 508656791 /nfs/dbraw/zinc/65/67/91/508656791.db2.gz AYFIYEJLAKWEKJ-UHFFFAOYSA-N 1 3 360.546 2.928 20 0 FFADHO CCCO[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000158484671 508711913 /nfs/dbraw/zinc/71/19/13/508711913.db2.gz MODFQBHGIOYCGL-UXHICEINSA-N 1 3 361.530 2.687 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119101146 508725658 /nfs/dbraw/zinc/72/56/58/508725658.db2.gz WTTRYFPREBCKOQ-UHFFFAOYSA-N 1 3 366.575 2.942 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000119124978 508731123 /nfs/dbraw/zinc/73/11/23/508731123.db2.gz GNULIXUSXBTVND-LPHOPBHVSA-N 1 3 358.530 2.953 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000137203958 508744693 /nfs/dbraw/zinc/74/46/93/508744693.db2.gz BHOXCRYSPZDUOU-AWEZNQCLSA-N 1 3 351.878 2.609 20 0 FFADHO Cc1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)ccc1OCCN1CCCC1 ZINC000137255423 508747184 /nfs/dbraw/zinc/74/71/84/508747184.db2.gz WLQXUBLUIIWBQQ-GOSISDBHSA-N 1 3 357.498 2.798 20 0 FFADHO CC(C)CSCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124431902 508830790 /nfs/dbraw/zinc/83/07/90/508830790.db2.gz AQKYVJJYLKLKKV-UHFFFAOYSA-N 1 3 370.607 2.624 20 0 FFADHO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)N1CCOCC1 ZINC000120028651 508913031 /nfs/dbraw/zinc/91/30/31/508913031.db2.gz DKDYKQMBGBQMRX-GHTZIAJQSA-N 1 3 363.546 2.634 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000120105013 508928549 /nfs/dbraw/zinc/92/85/49/508928549.db2.gz JXFGHVULCOCWRL-QHCPKHFHSA-N 1 3 369.553 2.955 20 0 FFADHO COc1cc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)ccc1OC(F)F ZINC000150960662 508931180 /nfs/dbraw/zinc/93/11/80/508931180.db2.gz RFHRZIGWNZEANJ-CQSZACIVSA-N 1 3 371.472 2.973 20 0 FFADHO Cc1c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000151001679 508938046 /nfs/dbraw/zinc/93/80/46/508938046.db2.gz HECHYPUFLZGNIW-MRXNPFEDSA-N 1 3 373.520 2.996 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCC(C)(C)C[NH+](C)C)c(OC)c1 ZINC000120422993 508993110 /nfs/dbraw/zinc/99/31/10/508993110.db2.gz HGUCINCQICMCSL-AWEZNQCLSA-N 1 3 351.491 2.598 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132774262 509073097 /nfs/dbraw/zinc/07/30/97/509073097.db2.gz GLQKJLHPSGHUMG-IRXDYDNUSA-N 1 3 361.534 2.637 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132774262 509073099 /nfs/dbraw/zinc/07/30/99/509073099.db2.gz GLQKJLHPSGHUMG-IRXDYDNUSA-N 1 3 361.534 2.637 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132849058 509082495 /nfs/dbraw/zinc/08/24/95/509082495.db2.gz UHUCFODEMBQKCU-PXNSSMCTSA-N 1 3 373.545 2.781 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132849058 509082497 /nfs/dbraw/zinc/08/24/97/509082497.db2.gz UHUCFODEMBQKCU-PXNSSMCTSA-N 1 3 373.545 2.781 20 0 FFADHO CC[C@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000182337037 509182022 /nfs/dbraw/zinc/18/20/22/509182022.db2.gz KTZMIKVHVRODFT-YYWHXJBOSA-N 1 3 373.541 2.703 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000266794745 509197647 /nfs/dbraw/zinc/19/76/47/509197647.db2.gz ABRVRSMJQXMIML-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000195637654 509214754 /nfs/dbraw/zinc/21/47/54/509214754.db2.gz MNPWAHNVRBZKQG-HDAAZOAOSA-N 1 3 374.573 2.825 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000195637654 509214758 /nfs/dbraw/zinc/21/47/58/509214758.db2.gz MNPWAHNVRBZKQG-HDAAZOAOSA-N 1 3 374.573 2.825 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401060 509218719 /nfs/dbraw/zinc/21/87/19/509218719.db2.gz KLNYJMXTQGUIIX-ROUUACIJSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401060 509218724 /nfs/dbraw/zinc/21/87/24/509218724.db2.gz KLNYJMXTQGUIIX-ROUUACIJSA-N 1 3 350.551 2.671 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)[C@H]1c1ccccc1 ZINC000248067089 509229178 /nfs/dbraw/zinc/22/91/78/509229178.db2.gz PVYCQTNISRAOEN-WOJBJXKFSA-N 1 3 358.530 2.948 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000175961025 509239308 /nfs/dbraw/zinc/23/93/08/509239308.db2.gz MULMMRNZPOZOIX-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000175961025 509239317 /nfs/dbraw/zinc/23/93/17/509239317.db2.gz MULMMRNZPOZOIX-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CC1CCN(C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248402253 509297265 /nfs/dbraw/zinc/29/72/65/509297265.db2.gz URMJWIONTOPYDF-NGRWLJPCSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1ccco1)[NH+]1CCCCC1 ZINC000182658275 509354124 /nfs/dbraw/zinc/35/41/24/509354124.db2.gz JMAMUVBGMUBLCO-QGZVFWFLSA-N 1 3 350.507 2.617 20 0 FFADHO CCC[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185812927 509367449 /nfs/dbraw/zinc/36/74/49/509367449.db2.gz MVLKFWAWTZHZSL-LJQANCHMSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000226632271 509400121 /nfs/dbraw/zinc/40/01/21/509400121.db2.gz WXYXCKZQEDXSQG-OTWHNJEPSA-N 1 3 365.562 2.599 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000176289441 509424830 /nfs/dbraw/zinc/42/48/30/509424830.db2.gz OOTLCYUDKBVMQT-HWKANZROSA-N 1 3 359.489 2.904 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000267290857 509430891 /nfs/dbraw/zinc/43/08/91/509430891.db2.gz CASRTCGECTWRAE-LEWJYISDSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000267290857 509430899 /nfs/dbraw/zinc/43/08/99/509430899.db2.gz CASRTCGECTWRAE-LEWJYISDSA-N 1 3 370.541 2.919 20 0 FFADHO CCN1CC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000163929496 509442134 /nfs/dbraw/zinc/44/21/34/509442134.db2.gz BBRYFCZHTJAMCM-FYYLOGMGSA-N 1 3 372.601 2.904 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000176347551 509457390 /nfs/dbraw/zinc/45/73/90/509457390.db2.gz HFEUCGQNCWVJSE-UHFFFAOYSA-N 1 3 352.548 2.694 20 0 FFADHO CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267351726 509459820 /nfs/dbraw/zinc/45/98/20/509459820.db2.gz PMMHXRSCDMHFNF-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267351726 509459828 /nfs/dbraw/zinc/45/98/28/509459828.db2.gz PMMHXRSCDMHFNF-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CC1(C)CN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000248747255 509466435 /nfs/dbraw/zinc/46/64/35/509466435.db2.gz BFLUQYUINQANSX-WKCHPHFGSA-N 1 3 357.542 2.882 20 0 FFADHO CC1(C)CN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000248747255 509466445 /nfs/dbraw/zinc/46/64/45/509466445.db2.gz BFLUQYUINQANSX-WKCHPHFGSA-N 1 3 357.542 2.882 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182879617 509472032 /nfs/dbraw/zinc/47/20/32/509472032.db2.gz FQHBQUAVXNAENG-CUDHKJQZSA-N 1 3 362.562 2.908 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182879617 509472039 /nfs/dbraw/zinc/47/20/39/509472039.db2.gz FQHBQUAVXNAENG-CUDHKJQZSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000173255386 509482454 /nfs/dbraw/zinc/48/24/54/509482454.db2.gz IXRGLKUZMUHXMT-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000173255386 509482464 /nfs/dbraw/zinc/48/24/64/509482464.db2.gz IXRGLKUZMUHXMT-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000236828909 509512466 /nfs/dbraw/zinc/51/24/66/509512466.db2.gz CHEKHVYVILSIOL-HOTGVXAUSA-N 1 3 357.420 2.957 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248888746 509530730 /nfs/dbraw/zinc/53/07/30/509530730.db2.gz ANMAXXYJEQBIAE-UXHICEINSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000248902499 509537439 /nfs/dbraw/zinc/53/74/39/509537439.db2.gz AMECUIDLOFUCAI-TZIWHRDSSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000248902499 509537446 /nfs/dbraw/zinc/53/74/46/509537446.db2.gz AMECUIDLOFUCAI-TZIWHRDSSA-N 1 3 372.557 2.927 20 0 FFADHO CC[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000236952958 509538964 /nfs/dbraw/zinc/53/89/64/509538964.db2.gz USQSCPBQEKHQAA-DTHFOOOUSA-N 1 3 355.526 2.860 20 0 FFADHO CCC[NH+]1CCC(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173387217 509567459 /nfs/dbraw/zinc/56/74/59/509567459.db2.gz ROQMJRARYBQGGA-MRXNPFEDSA-N 1 3 367.559 2.710 20 0 FFADHO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000173415131 509585142 /nfs/dbraw/zinc/58/51/42/509585142.db2.gz JBQGQJSHXQEERT-DLBZAZTESA-N 1 3 360.527 2.541 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173415131 509585147 /nfs/dbraw/zinc/58/51/47/509585147.db2.gz JBQGQJSHXQEERT-DLBZAZTESA-N 1 3 360.527 2.541 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000237241939 509600872 /nfs/dbraw/zinc/60/08/72/509600872.db2.gz QLGXRKFZGQVWNN-RTWAWAEBSA-N 1 3 351.494 2.537 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000237241939 509600876 /nfs/dbraw/zinc/60/08/76/509600876.db2.gz QLGXRKFZGQVWNN-RTWAWAEBSA-N 1 3 351.494 2.537 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C1CC1 ZINC000186272769 509615575 /nfs/dbraw/zinc/61/55/75/509615575.db2.gz LOOXEOWYAJYFLG-LEWJYISDSA-N 1 3 368.525 2.553 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C1CC1 ZINC000186272769 509615580 /nfs/dbraw/zinc/61/55/80/509615580.db2.gz LOOXEOWYAJYFLG-LEWJYISDSA-N 1 3 368.525 2.553 20 0 FFADHO COC(=O)[C@H](C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000192772519 509638212 /nfs/dbraw/zinc/63/82/12/509638212.db2.gz MTDNFBPLVIYMDW-QUCCMNQESA-N 1 3 361.530 2.543 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000192787455 509643679 /nfs/dbraw/zinc/64/36/79/509643679.db2.gz SIXXDTGWBDTYHR-SFHVURJKSA-N 1 3 374.529 2.710 20 0 FFADHO COc1cccc([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)c1 ZINC000237546289 509674556 /nfs/dbraw/zinc/67/45/56/509674556.db2.gz SICJAZSIAGWONI-VZKPYBMVSA-N 1 3 371.525 2.869 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186486940 509734624 /nfs/dbraw/zinc/73/46/24/509734624.db2.gz WNJGQIOYXVODAO-UHFFFAOYSA-N 1 3 352.482 2.919 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+](CC)C3CC3)c(C)c2)CC1 ZINC000171116742 509953557 /nfs/dbraw/zinc/95/35/57/509953557.db2.gz OGCJTOSMSGNRRY-UHFFFAOYSA-N 1 3 373.545 2.743 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+](CC)C3CC3)c(C)c2)CC1 ZINC000171116742 509953562 /nfs/dbraw/zinc/95/35/62/509953562.db2.gz OGCJTOSMSGNRRY-UHFFFAOYSA-N 1 3 373.545 2.743 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174159382 509976210 /nfs/dbraw/zinc/97/62/10/509976210.db2.gz BIKDBQQBWYJXFU-LJQANCHMSA-N 1 3 370.541 2.562 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)CCCO4)CC2)CC1 ZINC000190164471 509978590 /nfs/dbraw/zinc/97/85/90/509978590.db2.gz VGHPPXYQQAYYGU-UHFFFAOYSA-N 1 3 372.513 2.692 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000245528005 509983337 /nfs/dbraw/zinc/98/33/37/509983337.db2.gz DNZSVPFPQVMNIY-ZWKOTPCHSA-N 1 3 373.545 2.718 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000245528005 509983347 /nfs/dbraw/zinc/98/33/47/509983347.db2.gz DNZSVPFPQVMNIY-ZWKOTPCHSA-N 1 3 373.545 2.718 20 0 FFADHO c1ccc(CN2CCO[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000261579418 509993436 /nfs/dbraw/zinc/99/34/36/509993436.db2.gz DVCUOKZFCHOXRI-CLAROIROSA-N 1 3 357.542 2.788 20 0 FFADHO c1ccc(CN2CCO[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000261579421 509993684 /nfs/dbraw/zinc/99/36/84/509993684.db2.gz DVCUOKZFCHOXRI-GXRSIYKFSA-N 1 3 357.542 2.788 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCCCCC2)[C@H](C)C1 ZINC000187010309 510002217 /nfs/dbraw/zinc/00/22/17/510002217.db2.gz JTHIMLIMYPBKKP-QYZOEREBSA-N 1 3 353.551 2.504 20 0 FFADHO CN(CCC(=O)Nc1cccc(Cl)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000177373787 510019982 /nfs/dbraw/zinc/01/99/82/510019982.db2.gz NMWOSBNRNGRTHB-UHFFFAOYSA-N 1 3 366.937 2.626 20 0 FFADHO CN(CCC(=O)Nc1cccc(Cl)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177373787 510019988 /nfs/dbraw/zinc/01/99/88/510019988.db2.gz NMWOSBNRNGRTHB-UHFFFAOYSA-N 1 3 366.937 2.626 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Br)cc1 ZINC000177384866 510027268 /nfs/dbraw/zinc/02/72/68/510027268.db2.gz QQDXZHSQFSCRRI-UHFFFAOYSA-N 1 3 354.336 2.907 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245661850 510068747 /nfs/dbraw/zinc/06/87/47/510068747.db2.gz PZKNBGQACLVRSK-UXHICEINSA-N 1 3 358.530 2.851 20 0 FFADHO O=C(CC1(N2CCOCC2)CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177458905 510072066 /nfs/dbraw/zinc/07/20/66/510072066.db2.gz VPAIHDPYQYPBND-UHFFFAOYSA-N 1 3 363.546 2.545 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000261832097 510081310 /nfs/dbraw/zinc/08/13/10/510081310.db2.gz TVGVOPXUTGMOEH-FCHUYYIVSA-N 1 3 363.505 2.852 20 0 FFADHO CNC(=O)c1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000177495358 510096435 /nfs/dbraw/zinc/09/64/35/510096435.db2.gz WATFQYAOXAHLHS-QZTJIDSGSA-N 1 3 373.541 2.758 20 0 FFADHO C[C@H]1C[C@H](NCCC(=O)NCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268859503 510104259 /nfs/dbraw/zinc/10/42/59/510104259.db2.gz VEZQTANOQOXKOU-GHTZIAJQSA-N 1 3 366.509 2.731 20 0 FFADHO C[C@H]1C[C@H](NCCC(=O)NCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268859503 510104264 /nfs/dbraw/zinc/10/42/64/510104264.db2.gz VEZQTANOQOXKOU-GHTZIAJQSA-N 1 3 366.509 2.731 20 0 FFADHO C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)CN1CCN(C)CC1 ZINC000245725878 510110054 /nfs/dbraw/zinc/11/00/54/510110054.db2.gz PNSFCRJNKSEVBM-XBYSBRQOSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000261946700 510124827 /nfs/dbraw/zinc/12/48/27/510124827.db2.gz ONOXOOCTXZGCLJ-MISYRCLQSA-N 1 3 355.526 2.888 20 0 FFADHO FC(F)(F)COc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262037190 510156370 /nfs/dbraw/zinc/15/63/70/510156370.db2.gz YBAOFNFIIAGUAS-OAGGEKHMSA-N 1 3 358.404 2.874 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000177621083 510165476 /nfs/dbraw/zinc/16/54/76/510165476.db2.gz BUIHDPZDURAKJA-APWZRJJASA-N 1 3 370.541 2.748 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000177621083 510165486 /nfs/dbraw/zinc/16/54/86/510165486.db2.gz BUIHDPZDURAKJA-APWZRJJASA-N 1 3 370.541 2.748 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194015549 510175464 /nfs/dbraw/zinc/17/54/64/510175464.db2.gz DGBFBRXESBNYCZ-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194015549 510175473 /nfs/dbraw/zinc/17/54/73/510175473.db2.gz DGBFBRXESBNYCZ-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194015784 510177596 /nfs/dbraw/zinc/17/75/96/510177596.db2.gz BBHBFIQAMWMZFM-QUCCMNQESA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194015784 510177604 /nfs/dbraw/zinc/17/76/04/510177604.db2.gz BBHBFIQAMWMZFM-QUCCMNQESA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000245877341 510182265 /nfs/dbraw/zinc/18/22/65/510182265.db2.gz YWGIXUSECPTOBW-KZNAEPCWSA-N 1 3 361.530 2.895 20 0 FFADHO Cc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Oc1cccnc1 ZINC000262173082 510200614 /nfs/dbraw/zinc/20/06/14/510200614.db2.gz VKBNBIOFQWTNKH-LJQANCHMSA-N 1 3 352.482 2.662 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245931213 510216389 /nfs/dbraw/zinc/21/63/89/510216389.db2.gz SJCUBSLTUKXWPT-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245931213 510216392 /nfs/dbraw/zinc/21/63/92/510216392.db2.gz SJCUBSLTUKXWPT-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000246047682 510262547 /nfs/dbraw/zinc/26/25/47/510262547.db2.gz UPHWTJUNHSGXEE-RBUKOAKNSA-N 1 3 350.551 2.672 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000246047682 510262558 /nfs/dbraw/zinc/26/25/58/510262558.db2.gz UPHWTJUNHSGXEE-RBUKOAKNSA-N 1 3 350.551 2.672 20 0 FFADHO C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174728081 510275728 /nfs/dbraw/zinc/27/57/28/510275728.db2.gz JXEIMOWLCYZUPU-SFHVURJKSA-N 1 3 368.525 2.736 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000174780230 510306981 /nfs/dbraw/zinc/30/69/81/510306981.db2.gz QTVQCVBAQOOEAG-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000174780230 510306990 /nfs/dbraw/zinc/30/69/90/510306990.db2.gz QTVQCVBAQOOEAG-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000177921817 510328262 /nfs/dbraw/zinc/32/82/62/510328262.db2.gz GGBBWVRRQZADBZ-DKLJTFSYSA-N 1 3 373.541 2.754 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000246252595 510390124 /nfs/dbraw/zinc/39/01/24/510390124.db2.gz PMUUHMFBMXHIKV-KSZLIROESA-N 1 3 364.534 2.719 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000246252595 510390132 /nfs/dbraw/zinc/39/01/32/510390132.db2.gz PMUUHMFBMXHIKV-KSZLIROESA-N 1 3 364.534 2.719 20 0 FFADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1(C)C ZINC000262757835 510399111 /nfs/dbraw/zinc/39/91/11/510399111.db2.gz CCWOLYQICUZSSW-IDHHARJASA-N 1 3 365.543 2.534 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000246276670 510402553 /nfs/dbraw/zinc/40/25/53/510402553.db2.gz JQEUIQPTUPIRMM-FXAWDEMLSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000262801606 510418641 /nfs/dbraw/zinc/41/86/41/510418641.db2.gz PGRAPKARTOHHTJ-LPHOPBHVSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000262801606 510418644 /nfs/dbraw/zinc/41/86/44/510418644.db2.gz PGRAPKARTOHHTJ-LPHOPBHVSA-N 1 3 361.555 2.630 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000246346857 510439976 /nfs/dbraw/zinc/43/99/76/510439976.db2.gz OUDUCUZBKSPHFW-HMXCVIKNSA-N 1 3 372.557 2.533 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000246346857 510439979 /nfs/dbraw/zinc/43/99/79/510439979.db2.gz OUDUCUZBKSPHFW-HMXCVIKNSA-N 1 3 372.557 2.533 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000262902819 510468655 /nfs/dbraw/zinc/46/86/55/510468655.db2.gz DTDVZHIGDVWYLD-REHHDOPLSA-N 1 3 365.562 2.632 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC000246429331 510485540 /nfs/dbraw/zinc/48/55/40/510485540.db2.gz MVVPSGCHMRSCHU-RBUKOAKNSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC000246429331 510485541 /nfs/dbraw/zinc/48/55/41/510485541.db2.gz MVVPSGCHMRSCHU-RBUKOAKNSA-N 1 3 360.498 2.771 20 0 FFADHO Cc1csc(=O)n1CCNC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184752329 510500220 /nfs/dbraw/zinc/50/02/20/510500220.db2.gz CGJZFNNVNZCWOD-MCPYQZEQSA-N 1 3 359.539 2.964 20 0 FFADHO Cc1csc(=O)n1CCNC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184752329 510500225 /nfs/dbraw/zinc/50/02/25/510500225.db2.gz CGJZFNNVNZCWOD-MCPYQZEQSA-N 1 3 359.539 2.964 20 0 FFADHO CCC1(CC)[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C[C@@H]1OC ZINC000181670361 510531341 /nfs/dbraw/zinc/53/13/41/510531341.db2.gz TXKURIXAKAYLDX-MOPGFXCFSA-N 1 3 361.530 2.661 20 0 FFADHO CC[C@H]1CCCC[C@@H]1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184886032 510565159 /nfs/dbraw/zinc/56/51/59/510565159.db2.gz PSXOGZSVZYYOGV-PXNSSMCTSA-N 1 3 365.562 2.647 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000184893084 510568052 /nfs/dbraw/zinc/56/80/52/510568052.db2.gz NAGXVMOMLZOCHE-IEBWSBKVSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000184893084 510568056 /nfs/dbraw/zinc/56/80/56/510568056.db2.gz NAGXVMOMLZOCHE-IEBWSBKVSA-N 1 3 373.545 2.775 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000184923895 510587679 /nfs/dbraw/zinc/58/76/79/510587679.db2.gz YNHFZNZFEAYDEA-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000184923895 510587686 /nfs/dbraw/zinc/58/76/86/510587686.db2.gz YNHFZNZFEAYDEA-SFHVURJKSA-N 1 3 373.545 2.682 20 0 FFADHO C[C@H](NC1(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CCOCC1)c1ccccc1 ZINC000263214989 510615488 /nfs/dbraw/zinc/61/54/88/510615488.db2.gz KTKVRLGFQQLBKX-CUWPLCDZSA-N 1 3 373.541 2.910 20 0 FFADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000263219924 510618008 /nfs/dbraw/zinc/61/80/08/510618008.db2.gz LRVYEDLFTYTLRT-PZJWPPBQSA-N 1 3 359.514 2.737 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000270086761 510669828 /nfs/dbraw/zinc/66/98/28/510669828.db2.gz ACOZEMDKJGLSJW-WOJBJXKFSA-N 1 3 358.530 2.663 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC[C@H]21 ZINC000246830475 510699595 /nfs/dbraw/zinc/69/95/95/510699595.db2.gz BBQNIYWKVJWTGL-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC[C@H]21 ZINC000246830475 510699603 /nfs/dbraw/zinc/69/96/03/510699603.db2.gz BBQNIYWKVJWTGL-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000175630771 510701831 /nfs/dbraw/zinc/70/18/31/510701831.db2.gz AIJVQFBAXDMEFI-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000178713098 510733788 /nfs/dbraw/zinc/73/37/88/510733788.db2.gz ZXAYVPPMRHOZAN-SFHVURJKSA-N 1 3 373.545 2.782 20 0 FFADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)N1CCC(C)CC1 ZINC000175687654 510734195 /nfs/dbraw/zinc/73/41/95/510734195.db2.gz XPOUVGJFSGPAIX-QGZVFWFLSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)Cc1ccccc1 ZINC000182076405 510742994 /nfs/dbraw/zinc/74/29/94/510742994.db2.gz MQGLEJQMMYTRJO-GOSISDBHSA-N 1 3 353.510 2.946 20 0 FFADHO COc1cc(NC(=O)CC[N@@H+]2CC[C@@H](CN(C)C)C2)c(OC)cc1Cl ZINC000266729293 510753030 /nfs/dbraw/zinc/75/30/30/510753030.db2.gz KIEYROSRVFPYFW-ZDUSSCGKSA-N 1 3 369.893 2.569 20 0 FFADHO COc1cc(NC(=O)CC[N@H+]2CC[C@@H](CN(C)C)C2)c(OC)cc1Cl ZINC000266729293 510753033 /nfs/dbraw/zinc/75/30/33/510753033.db2.gz KIEYROSRVFPYFW-ZDUSSCGKSA-N 1 3 369.893 2.569 20 0 FFADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000195342321 510793714 /nfs/dbraw/zinc/79/37/14/510793714.db2.gz NYJTZEUSFFJKQR-UHFFFAOYSA-N 1 3 364.465 2.514 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC[C@H]21 ZINC000247024505 510806065 /nfs/dbraw/zinc/80/60/65/510806065.db2.gz QMWJPDHGZZDANA-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC[C@H]21 ZINC000247024505 510806071 /nfs/dbraw/zinc/80/60/71/510806071.db2.gz QMWJPDHGZZDANA-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247173620 510848379 /nfs/dbraw/zinc/84/83/79/510848379.db2.gz JVADHDUQMJWYKC-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247173620 510848380 /nfs/dbraw/zinc/84/83/80/510848380.db2.gz JVADHDUQMJWYKC-MSOLQXFVSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247282196 510855408 /nfs/dbraw/zinc/85/54/08/510855408.db2.gz KJDFZNKAVHOIDV-ICSRJNTNSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247282196 510855409 /nfs/dbraw/zinc/85/54/09/510855409.db2.gz KJDFZNKAVHOIDV-ICSRJNTNSA-N 1 3 360.546 2.784 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000247599777 510867112 /nfs/dbraw/zinc/86/71/12/510867112.db2.gz UEPVEYLTPLLGGY-WVVQBRDUSA-N 1 3 370.541 2.823 20 0 FFADHO CN1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000247599777 510867113 /nfs/dbraw/zinc/86/71/13/510867113.db2.gz UEPVEYLTPLLGGY-WVVQBRDUSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293923694 510900593 /nfs/dbraw/zinc/90/05/93/510900593.db2.gz XNQNMYFLCOEVEY-FQEVSTJZSA-N 1 3 361.530 2.932 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285437789 510906810 /nfs/dbraw/zinc/90/68/10/510906810.db2.gz IBKHPQUZKXAEFU-ZWKOTPCHSA-N 1 3 365.468 2.554 20 0 FFADHO Cc1cnn(C)c1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000285487194 510926393 /nfs/dbraw/zinc/92/63/93/510926393.db2.gz PBQARNSPTVAKFS-UHFFFAOYSA-N 1 3 355.530 2.729 20 0 FFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1C ZINC000282374985 510951129 /nfs/dbraw/zinc/95/11/29/510951129.db2.gz QLMOYHQJWZAZBF-QGZVFWFLSA-N 1 3 360.546 2.636 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000360888589 510961567 /nfs/dbraw/zinc/96/15/67/510961567.db2.gz HYCRWXSEXRGZHD-UHFFFAOYSA-N 1 3 372.557 2.943 20 0 FFADHO Cn1c(CC[NH2+]C2CCN(c3ccncc3)CC2)nc2c1cccc2F ZINC000297646096 511020410 /nfs/dbraw/zinc/02/04/10/511020410.db2.gz MYXHOOKQGSYUSR-UHFFFAOYSA-N 1 3 353.445 2.909 20 0 FFADHO Cc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(-c2cnn(C)c2)c1 ZINC000282646664 511059223 /nfs/dbraw/zinc/05/92/23/511059223.db2.gz LNRYGXXHMXTRBA-FGZHOGPDSA-N 1 3 368.525 2.863 20 0 FFADHO COCCCn1nccc1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000282662861 511065833 /nfs/dbraw/zinc/06/58/33/511065833.db2.gz MZISJFFUXYLFHJ-UHFFFAOYSA-N 1 3 362.543 2.983 20 0 FFADHO C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCC(OCCN2CCCC2)CC1 ZINC000271326270 511164488 /nfs/dbraw/zinc/16/44/88/511164488.db2.gz UVANTHRRCOFIOL-INIZCTEOSA-N 1 3 370.497 2.711 20 0 FFADHO COCCCNC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291443428 511199717 /nfs/dbraw/zinc/19/97/17/511199717.db2.gz KWESHSBYXVKDIH-LJQANCHMSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000333433355 511242885 /nfs/dbraw/zinc/24/28/85/511242885.db2.gz UZCMJBJRXWIEMV-OBJCFNGXSA-N 1 3 370.541 2.727 20 0 FFADHO Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]C2CCN(c3ccncc3)CC2)on1 ZINC000333587741 511292717 /nfs/dbraw/zinc/29/27/17/511292717.db2.gz KVYVPRJSPGJRJE-LPHOPBHVSA-N 1 3 373.476 2.549 20 0 FFADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271742123 511307600 /nfs/dbraw/zinc/30/76/00/511307600.db2.gz FOGBHOKWGWVAII-BBWFWOEESA-N 1 3 367.559 2.743 20 0 FFADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271742123 511307606 /nfs/dbraw/zinc/30/76/06/511307606.db2.gz FOGBHOKWGWVAII-BBWFWOEESA-N 1 3 367.559 2.743 20 0 FFADHO CN(c1ncnc2c3ccccc3oc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363063429 511329845 /nfs/dbraw/zinc/32/98/45/511329845.db2.gz BKVBBWOHRUWHIF-INIZCTEOSA-N 1 3 365.481 2.981 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc21 ZINC000283365525 511338046 /nfs/dbraw/zinc/33/80/46/511338046.db2.gz NPQBDVCRNYWPBD-NHCUHLMSSA-N 1 3 373.541 2.785 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000291986347 511418316 /nfs/dbraw/zinc/41/83/16/511418316.db2.gz WPIOAOYKVJOYPI-HSZRJFAPSA-N 1 3 373.585 2.720 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000291986347 511418323 /nfs/dbraw/zinc/41/83/23/511418323.db2.gz WPIOAOYKVJOYPI-HSZRJFAPSA-N 1 3 373.585 2.720 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298856613 511433070 /nfs/dbraw/zinc/43/30/70/511433070.db2.gz IWILGWWQLXUDQV-HZPDHXFCSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298856613 511433072 /nfs/dbraw/zinc/43/30/72/511433072.db2.gz IWILGWWQLXUDQV-HZPDHXFCSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(C2CCC2)C1 ZINC000298856613 511433076 /nfs/dbraw/zinc/43/30/76/511433076.db2.gz IWILGWWQLXUDQV-HZPDHXFCSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000272166325 511452249 /nfs/dbraw/zinc/45/22/49/511452249.db2.gz BGVSXTBGNAXYPL-YXJHDRRASA-N 1 3 369.431 2.637 20 0 FFADHO c1ccc(CN2CCCO[C@@H](CN3CCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC000284273607 511664367 /nfs/dbraw/zinc/66/43/67/511664367.db2.gz XPSRMGFRLXHCSJ-FCHUYYIVSA-N 1 3 357.542 2.838 20 0 FFADHO CC(C)[C@H](CNC(=O)NCCN1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000302949752 511721125 /nfs/dbraw/zinc/72/11/25/511721125.db2.gz NNOHBZSREXDLGA-IBGZPJMESA-N 1 3 352.567 2.774 20 0 FFADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)OCCO2 ZINC000363786291 511766460 /nfs/dbraw/zinc/76/64/60/511766460.db2.gz RAUAYCYJTCSZBB-PKOBYXMFSA-N 1 3 359.514 2.667 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000310984116 511774452 /nfs/dbraw/zinc/77/44/52/511774452.db2.gz GLRIMBJMMUQROX-OALUTQOASA-N 1 3 360.523 2.737 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000310984116 511774454 /nfs/dbraw/zinc/77/44/54/511774454.db2.gz GLRIMBJMMUQROX-OALUTQOASA-N 1 3 360.523 2.737 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COCc1ccccc1F ZINC000312506690 511784807 /nfs/dbraw/zinc/78/48/07/511784807.db2.gz RJEGAGYLIJVZEL-FPOVZHCZSA-N 1 3 372.484 2.815 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1F ZINC000312506690 511784814 /nfs/dbraw/zinc/78/48/14/511784814.db2.gz RJEGAGYLIJVZEL-FPOVZHCZSA-N 1 3 372.484 2.815 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000363920375 511850750 /nfs/dbraw/zinc/85/07/50/511850750.db2.gz IWYRWAYXCNITIB-XHSDSOJGSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000363920375 511850753 /nfs/dbraw/zinc/85/07/53/511850753.db2.gz IWYRWAYXCNITIB-XHSDSOJGSA-N 1 3 361.486 2.637 20 0 FFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)ccn1 ZINC000363953709 511871138 /nfs/dbraw/zinc/87/11/38/511871138.db2.gz NRRGNMDHCLBZTI-ROUUACIJSA-N 1 3 357.502 2.572 20 0 FFADHO C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274905746 511983533 /nfs/dbraw/zinc/98/35/33/511983533.db2.gz MBMVAGRYQZXJAW-SESVDKBCSA-N 1 3 365.525 2.946 20 0 FFADHO C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274905746 511983535 /nfs/dbraw/zinc/98/35/35/511983535.db2.gz MBMVAGRYQZXJAW-SESVDKBCSA-N 1 3 365.525 2.946 20 0 FFADHO CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000274983121 512005873 /nfs/dbraw/zinc/00/58/73/512005873.db2.gz TXSYCOGNFDPGEK-OAHLLOKOSA-N 1 3 361.534 2.717 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000281993475 512038722 /nfs/dbraw/zinc/03/87/22/512038722.db2.gz CPCZHGAZBORKAZ-NRFANRHFSA-N 1 3 357.542 2.873 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]CC2(CS(C)(=O)=O)CC2)CC1 ZINC000375838698 512532836 /nfs/dbraw/zinc/53/28/36/512532836.db2.gz KGWPAFKVDQEXFB-UHFFFAOYSA-N 1 3 364.555 2.844 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000411460908 512647509 /nfs/dbraw/zinc/64/75/09/512647509.db2.gz NEDXHMNSCUCDFO-QGZVFWFLSA-N 1 3 369.513 2.512 20 0 FFADHO COC(=O)c1cc(C[NH2+]CC2CCN(Cc3cccs3)CC2)cn1C ZINC000368017518 512766150 /nfs/dbraw/zinc/76/61/50/512766150.db2.gz MWSTVSLDRYQLKN-UHFFFAOYSA-N 1 3 361.511 2.875 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368027957 512770617 /nfs/dbraw/zinc/77/06/17/512770617.db2.gz YTLZOSOGWQMQJT-LEWJYISDSA-N 1 3 370.541 2.782 20 0 FFADHO C[C@H]1C[C@H](NC(=O)c2ccccc2CC[NH3+])CCN1Cc1ccccc1 ZINC000379680248 512869928 /nfs/dbraw/zinc/86/99/28/512869928.db2.gz LMFPNKDCSVZFNB-FXAWDEMLSA-N 1 3 351.494 2.971 20 0 FFADHO c1ccc(CN2CCN(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000390665579 512909460 /nfs/dbraw/zinc/90/94/60/512909460.db2.gz MTLZFQGAONVDPE-DNVJHFABSA-N 1 3 370.585 2.705 20 0 FFADHO [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391007365 512914354 /nfs/dbraw/zinc/91/43/54/512914354.db2.gz IOPPWISYMHOMDY-NHCUHLMSSA-N 1 3 373.541 2.691 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000397964238 512950420 /nfs/dbraw/zinc/95/04/20/512950420.db2.gz ANSUCWUPNIRNNS-YHYVQYDKSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000397964238 512950425 /nfs/dbraw/zinc/95/04/25/512950425.db2.gz ANSUCWUPNIRNNS-YHYVQYDKSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000370560367 512992638 /nfs/dbraw/zinc/99/26/38/512992638.db2.gz CIFVSTXAWNHGKH-RCZSKKKRSA-N 1 3 355.526 2.889 20 0 FFADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000412195046 512993580 /nfs/dbraw/zinc/99/35/80/512993580.db2.gz PAPXZXUHRHOYAA-IBGZPJMESA-N 1 3 365.587 2.681 20 0 FFADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(CN2CCCCC2)c1 ZINC000412220441 513001622 /nfs/dbraw/zinc/00/16/22/513001622.db2.gz VLOHEZUFOGRYJP-OAQYLSRUSA-N 1 3 373.541 2.639 20 0 FFADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(CN2CCCCC2)c1 ZINC000412220441 513001629 /nfs/dbraw/zinc/00/16/29/513001629.db2.gz VLOHEZUFOGRYJP-OAQYLSRUSA-N 1 3 373.541 2.639 20 0 FFADHO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1OC ZINC000370624031 513020039 /nfs/dbraw/zinc/02/00/39/513020039.db2.gz FXAVQBHWAWGREH-SJORKVTESA-N 1 3 361.530 2.831 20 0 FFADHO CC(C)[C@H]1C[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000376865876 513022296 /nfs/dbraw/zinc/02/22/96/513022296.db2.gz CCKFYABXSNHWFG-YLJYHZDGSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@H](C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374914830 513069942 /nfs/dbraw/zinc/06/99/42/513069942.db2.gz QFNXUAHTSRFMNM-NSISKUIASA-N 1 3 365.949 2.985 20 0 FFADHO CO[C@H](C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374914830 513069948 /nfs/dbraw/zinc/06/99/48/513069948.db2.gz QFNXUAHTSRFMNM-NSISKUIASA-N 1 3 365.949 2.985 20 0 FFADHO CO[C@H](CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374914830 513069952 /nfs/dbraw/zinc/06/99/52/513069952.db2.gz QFNXUAHTSRFMNM-NSISKUIASA-N 1 3 365.949 2.985 20 0 FFADHO NC1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)Cc2ccccc2C1 ZINC000370763121 513090038 /nfs/dbraw/zinc/09/00/38/513090038.db2.gz FNDILWHVLWZDMW-LJQANCHMSA-N 1 3 363.505 2.511 20 0 FFADHO NC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc2C1 ZINC000370763121 513090039 /nfs/dbraw/zinc/09/00/39/513090039.db2.gz FNDILWHVLWZDMW-LJQANCHMSA-N 1 3 363.505 2.511 20 0 FFADHO Cc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c(OCCN(C)C)c1 ZINC000415202799 513151425 /nfs/dbraw/zinc/15/14/25/513151425.db2.gz JPFVKZBDMJDVEG-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(OCCN(C)C)c1 ZINC000415208303 513152892 /nfs/dbraw/zinc/15/28/92/513152892.db2.gz VDAPWHOWJJCGLG-BBWFWOEESA-N 1 3 360.502 2.527 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417676664 513155412 /nfs/dbraw/zinc/15/54/12/513155412.db2.gz DDTOZGFLYLGKGF-HQRMLTQVSA-N 1 3 372.557 2.838 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417693281 513167183 /nfs/dbraw/zinc/16/71/83/513167183.db2.gz ZQGALXYOXKUCGK-PMACEKPBSA-N 1 3 372.557 2.853 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H]1C ZINC000417733468 513185350 /nfs/dbraw/zinc/18/53/50/513185350.db2.gz IVOACNXQYSUDPF-QBYUYEEZSA-N 1 3 350.532 2.523 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H]1C ZINC000417733468 513185357 /nfs/dbraw/zinc/18/53/57/513185357.db2.gz IVOACNXQYSUDPF-QBYUYEEZSA-N 1 3 350.532 2.523 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417735571 513187090 /nfs/dbraw/zinc/18/70/90/513187090.db2.gz LHDXKWBVPQGJJM-ZBFHGGJFSA-N 1 3 352.548 2.948 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](C)CN1 ZINC000417738253 513188596 /nfs/dbraw/zinc/18/85/96/513188596.db2.gz OQBWKWRGTYGJFW-AESZEHBQSA-N 1 3 350.532 2.523 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](C)CN1 ZINC000417738253 513188600 /nfs/dbraw/zinc/18/86/00/513188600.db2.gz OQBWKWRGTYGJFW-AESZEHBQSA-N 1 3 350.532 2.523 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000417738243 513189018 /nfs/dbraw/zinc/18/90/18/513189018.db2.gz OOUMOUZRIRIKBA-ZMSDIMECSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCCC[NH2+]C2CC2)[C@H]1c1cccs1 ZINC000417741020 513190839 /nfs/dbraw/zinc/19/08/39/513190839.db2.gz SRCZZRGCHTUZNH-PBHICJAKSA-N 1 3 350.532 2.572 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000433940237 513191784 /nfs/dbraw/zinc/19/17/84/513191784.db2.gz JKKXTOGUAPHTOJ-UXPWSPDFSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000433940237 513191792 /nfs/dbraw/zinc/19/17/92/513191792.db2.gz JKKXTOGUAPHTOJ-UXPWSPDFSA-N 1 3 360.546 2.662 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417747448 513194438 /nfs/dbraw/zinc/19/44/38/513194438.db2.gz RLJIVCGJDDNHIF-HOCLYGCPSA-N 1 3 372.435 2.736 20 0 FFADHO CC[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCc2ccccc2C1 ZINC000446139386 513195131 /nfs/dbraw/zinc/19/51/31/513195131.db2.gz QJROSKJDTFPEGC-HXUWFJFHSA-N 1 3 372.557 2.949 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415312128 513198772 /nfs/dbraw/zinc/19/87/72/513198772.db2.gz SNUSMWKBENQQQP-SFHVURJKSA-N 1 3 360.502 2.767 20 0 FFADHO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415311583 513198887 /nfs/dbraw/zinc/19/88/87/513198887.db2.gz RFDJAKBLPCCWNT-KRWDZBQOSA-N 1 3 360.502 2.672 20 0 FFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446262705 513222064 /nfs/dbraw/zinc/22/20/64/513222064.db2.gz OSQBSGIYHQUUBL-WOIUINJBSA-N 1 3 373.541 2.676 20 0 FFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446262705 513222071 /nfs/dbraw/zinc/22/20/71/513222071.db2.gz OSQBSGIYHQUUBL-WOIUINJBSA-N 1 3 373.541 2.676 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000417826389 513223133 /nfs/dbraw/zinc/22/31/33/513223133.db2.gz CHSQPQAICWKALA-VBSBHUPXSA-N 1 3 358.530 2.856 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417828307 513225211 /nfs/dbraw/zinc/22/52/11/513225211.db2.gz FEHBZOVEZLLOMF-LFGUQSLTSA-N 1 3 358.530 2.808 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417831969 513226648 /nfs/dbraw/zinc/22/66/48/513226648.db2.gz SQNFYPQVHHHETE-KAGYGMCKSA-N 1 3 370.541 2.682 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000446292440 513228778 /nfs/dbraw/zinc/22/87/78/513228778.db2.gz RHSDMHCOMAOOOD-WOIUINJBSA-N 1 3 371.525 2.796 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446293644 513230724 /nfs/dbraw/zinc/23/07/24/513230724.db2.gz PQXOGLOZWVIAAI-XQBPLPMBSA-N 1 3 373.541 2.677 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417837707 513231000 /nfs/dbraw/zinc/23/10/00/513231000.db2.gz XPHZNKKIAIKAHH-MJUUVYJYSA-N 1 3 370.541 2.538 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000417857030 513242100 /nfs/dbraw/zinc/24/21/00/513242100.db2.gz XHHRWWGGFUKBRB-NRFANRHFSA-N 1 3 372.557 2.931 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000417867670 513245578 /nfs/dbraw/zinc/24/55/78/513245578.db2.gz FLWSWYCAQAOLFN-FIBJEGPVSA-N 1 3 356.514 2.574 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)[C@H](C)c3ccccc3)CC2)CC1 ZINC000450634577 513282889 /nfs/dbraw/zinc/28/28/89/513282889.db2.gz GVYGOCZVTUPSDL-KNQAVFIVSA-N 1 3 359.558 2.641 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)cc2)CC1 ZINC000434450624 513327665 /nfs/dbraw/zinc/32/76/65/513327665.db2.gz RGEPIOFJGQBSLD-NRFANRHFSA-N 1 3 370.541 2.575 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)cc2)CC1 ZINC000434450624 513327673 /nfs/dbraw/zinc/32/76/73/513327673.db2.gz RGEPIOFJGQBSLD-NRFANRHFSA-N 1 3 370.541 2.575 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446744495 513329045 /nfs/dbraw/zinc/32/90/45/513329045.db2.gz NXTYMSBGMBJVQG-XLIONFOSSA-N 1 3 357.502 2.740 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418133841 513385172 /nfs/dbraw/zinc/38/51/72/513385172.db2.gz GLTAAXHQERYFQD-WOJBJXKFSA-N 1 3 358.530 2.728 20 0 FFADHO CCc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c2ccccc2n1 ZINC000450889107 513386280 /nfs/dbraw/zinc/38/62/80/513386280.db2.gz BTGHQPSFACREQQ-KRWDZBQOSA-N 1 3 352.482 2.588 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)C1CC1 ZINC000418153112 513392890 /nfs/dbraw/zinc/39/28/90/513392890.db2.gz USACSXWXUFAZFQ-FQEVSTJZSA-N 1 3 370.541 2.682 20 0 FFADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418152815 513393551 /nfs/dbraw/zinc/39/35/51/513393551.db2.gz HXAPDIORMUCCPT-PCCBWWKXSA-N 1 3 366.509 2.691 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418154243 513395282 /nfs/dbraw/zinc/39/52/82/513395282.db2.gz JLNCVJZYKJQANT-UFYCRDLUSA-N 1 3 370.541 2.538 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000418162289 513399209 /nfs/dbraw/zinc/39/92/09/513399209.db2.gz CRSVAEOCXKEHEO-SJORKVTESA-N 1 3 352.910 2.759 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccco1 ZINC000418165442 513401313 /nfs/dbraw/zinc/40/13/13/513401313.db2.gz JJVBJORUATXBQS-ZYSHUDEJSA-N 1 3 370.497 2.895 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000440775376 513402384 /nfs/dbraw/zinc/40/23/84/513402384.db2.gz NPROTZLEYQSZLE-JENIJYKNSA-N 1 3 350.551 2.667 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC2(C1)CC[NH2+]CC2)N(C)C ZINC000418180313 513407917 /nfs/dbraw/zinc/40/79/17/513407917.db2.gz KFVAZOMQUJUBIJ-HKUYNNGSSA-N 1 3 358.530 2.771 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N(C)C ZINC000418183579 513409819 /nfs/dbraw/zinc/40/98/19/513409819.db2.gz OLFGECQCWNFRIX-UFHDJZAFSA-N 1 3 358.530 2.755 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N(C)C ZINC000418183577 513409939 /nfs/dbraw/zinc/40/99/39/513409939.db2.gz OLFGECQCWNFRIX-LERVOYGESA-N 1 3 358.530 2.755 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418184151 513410729 /nfs/dbraw/zinc/41/07/29/513410729.db2.gz PMFBBIMXZLVAEA-QGZVFWFLSA-N 1 3 352.910 2.856 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000418187208 513411556 /nfs/dbraw/zinc/41/15/56/513411556.db2.gz DCKWJXWKTIUIHQ-UNMCSNQZSA-N 1 3 372.557 2.883 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418188992 513413283 /nfs/dbraw/zinc/41/32/83/513413283.db2.gz GWPJYHXCMKTLHW-TZIWHRDSSA-N 1 3 360.546 2.868 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000418196306 513416559 /nfs/dbraw/zinc/41/65/59/513416559.db2.gz RBUYGHBOJPHSIA-AHRSYUTCSA-N 1 3 360.546 2.928 20 0 FFADHO COC1([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000421824251 513446025 /nfs/dbraw/zinc/44/60/25/513446025.db2.gz HSOXDOUNGSAKAB-LJQANCHMSA-N 1 3 360.546 2.921 20 0 FFADHO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000421868445 513455480 /nfs/dbraw/zinc/45/54/80/513455480.db2.gz QODZZAPJRCMJNN-DLBZAZTESA-N 1 3 350.503 2.862 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc3c(c2)CNCC3)c1 ZINC000415882269 513460435 /nfs/dbraw/zinc/46/04/35/513460435.db2.gz KHZLJZYMMYNYSZ-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO C[C@@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418338035 513470850 /nfs/dbraw/zinc/47/08/50/513470850.db2.gz JPBFEKQURKCQCA-CTNGQTDRSA-N 1 3 372.557 2.725 20 0 FFADHO CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418341352 513471848 /nfs/dbraw/zinc/47/18/48/513471848.db2.gz HKSMFMCZFINMBV-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418341358 513472012 /nfs/dbraw/zinc/47/20/12/513472012.db2.gz HKSMFMCZFINMBV-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418356208 513480643 /nfs/dbraw/zinc/48/06/43/513480643.db2.gz XWQZKWBKNWDMOC-RTBURBONSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000415925216 513481238 /nfs/dbraw/zinc/48/12/38/513481238.db2.gz ZYEWTVLUKIYJQJ-CALCHBBNSA-N 1 3 374.529 2.759 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418367743 513486133 /nfs/dbraw/zinc/48/61/33/513486133.db2.gz LMWMLQRPKGWYHN-AZUAARDMSA-N 1 3 358.530 2.540 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000415938283 513488617 /nfs/dbraw/zinc/48/86/17/513488617.db2.gz OQFLKBXEJVPPIC-UHFFFAOYSA-N 1 3 370.497 2.928 20 0 FFADHO CCCN(C(=O)NC[C@@H](C)C[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418385792 513491706 /nfs/dbraw/zinc/49/17/06/513491706.db2.gz KUCIBGYOTFUXJU-AZUAARDMSA-N 1 3 360.546 2.928 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CCC([NH3+])CC1 ZINC000418393338 513494278 /nfs/dbraw/zinc/49/42/78/513494278.db2.gz XOXYHOOBXPDJKX-UHFFFAOYSA-N 1 3 352.910 2.683 20 0 FFADHO CCCN(C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418414532 513499645 /nfs/dbraw/zinc/49/96/45/513499645.db2.gz ZXLNGCDNMFSNIM-VQTJNVASSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C(=O)NC[C@@H]([NH3+])c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418428498 513504846 /nfs/dbraw/zinc/50/48/46/513504846.db2.gz MNRSZEAXKFSJLL-LEWJYISDSA-N 1 3 366.509 2.992 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418435460 513508222 /nfs/dbraw/zinc/50/82/22/513508222.db2.gz WOZGNQUTZBLZKB-SLFFLAALSA-N 1 3 358.530 2.810 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418439555 513510980 /nfs/dbraw/zinc/51/09/80/513510980.db2.gz ODCUPDIHSCJGTE-UHFFFAOYSA-N 1 3 356.461 2.556 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418448080 513514071 /nfs/dbraw/zinc/51/40/71/513514071.db2.gz JDMPDVHXVNKNLF-WSTZPKSXSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418448080 513514080 /nfs/dbraw/zinc/51/40/80/513514080.db2.gz JDMPDVHXVNKNLF-WSTZPKSXSA-N 1 3 358.530 2.982 20 0 FFADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447603021 513520383 /nfs/dbraw/zinc/52/03/83/513520383.db2.gz VASBQSLWMUVNSJ-BIRZXAFVSA-N 1 3 374.525 2.592 20 0 FFADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603021 513520387 /nfs/dbraw/zinc/52/03/87/513520387.db2.gz VASBQSLWMUVNSJ-BIRZXAFVSA-N 1 3 374.525 2.592 20 0 FFADHO C[C@H](C[NH3+])CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418474501 513524767 /nfs/dbraw/zinc/52/47/67/513524767.db2.gz POQAFSBETKJAFQ-LJQANCHMSA-N 1 3 368.525 2.925 20 0 FFADHO CC1(C)CN(C(=O)NCC2C[NH2+]C2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418482431 513527730 /nfs/dbraw/zinc/52/77/30/513527730.db2.gz DPJOVNWGEHAUCZ-HXUWFJFHSA-N 1 3 370.541 2.538 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418489108 513529310 /nfs/dbraw/zinc/52/93/10/513529310.db2.gz NYPMPWJGYQKCQM-OXJNMPFZSA-N 1 3 354.498 2.823 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418489108 513529318 /nfs/dbraw/zinc/52/93/18/513529318.db2.gz NYPMPWJGYQKCQM-OXJNMPFZSA-N 1 3 354.498 2.823 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000418499269 513534290 /nfs/dbraw/zinc/53/42/90/513534290.db2.gz LXYCTFYGOYAYPF-XPGWFJOJSA-N 1 3 354.498 2.964 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000418499269 513534298 /nfs/dbraw/zinc/53/42/98/513534298.db2.gz LXYCTFYGOYAYPF-XPGWFJOJSA-N 1 3 354.498 2.964 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418509770 513538121 /nfs/dbraw/zinc/53/81/21/513538121.db2.gz AOXXILYBJQXLEG-FQEVSTJZSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418531428 513545611 /nfs/dbraw/zinc/54/56/11/513545611.db2.gz WZWDBBDEMOFYMV-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418550092 513552760 /nfs/dbraw/zinc/55/27/60/513552760.db2.gz SXEAKQLCOAAOOG-GHTZIAJQSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCCCC1 ZINC000441400182 513560788 /nfs/dbraw/zinc/56/07/88/513560788.db2.gz WJBQIQDUPLGXDS-SCTDSRPQSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCOc1cccc(I)c1 ZINC000435375627 513569529 /nfs/dbraw/zinc/56/95/29/513569529.db2.gz VVKGJIATRSLXOI-STQMWFEESA-N 1 3 374.266 2.729 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425453710 513575139 /nfs/dbraw/zinc/57/51/39/513575139.db2.gz ZFUAHIQWKQOCRL-JSXRDJHFSA-N 1 3 368.525 2.529 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425453710 513575146 /nfs/dbraw/zinc/57/51/46/513575146.db2.gz ZFUAHIQWKQOCRL-JSXRDJHFSA-N 1 3 368.525 2.529 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)Cc1ccco1 ZINC000418622157 513579849 /nfs/dbraw/zinc/57/98/49/513579849.db2.gz UZVPQNQSVFOFQT-QGZVFWFLSA-N 1 3 350.507 2.521 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425472294 513583989 /nfs/dbraw/zinc/58/39/89/513583989.db2.gz INCHOKPOKXRGID-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425472294 513583995 /nfs/dbraw/zinc/58/39/95/513583995.db2.gz INCHOKPOKXRGID-QHAWAJNXSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC=C(CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430220445 513592151 /nfs/dbraw/zinc/59/21/51/513592151.db2.gz RIQGWUHKQKYWFU-NRFANRHFSA-N 1 3 356.514 2.602 20 0 FFADHO CN1CC=C(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430220445 513592156 /nfs/dbraw/zinc/59/21/56/513592156.db2.gz RIQGWUHKQKYWFU-NRFANRHFSA-N 1 3 356.514 2.602 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)Cc1ccco1 ZINC000418677432 513608452 /nfs/dbraw/zinc/60/84/52/513608452.db2.gz APSNKTBBXANWAE-QAQDUYKDSA-N 1 3 350.507 2.508 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418690899 513614452 /nfs/dbraw/zinc/61/44/52/513614452.db2.gz HKWVPYMYGSPDCW-HKUYNNGSSA-N 1 3 361.534 2.595 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418728551 513627856 /nfs/dbraw/zinc/62/78/56/513627856.db2.gz NILTUMXETCJTTM-AQNXPRMDSA-N 1 3 358.530 2.810 20 0 FFADHO CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418768498 513648050 /nfs/dbraw/zinc/64/80/50/513648050.db2.gz MLEMYCJCHSUHKQ-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@H]1c1ccccc1 ZINC000447993711 513651135 /nfs/dbraw/zinc/65/11/35/513651135.db2.gz ZYCJSHKQDPLOLM-IPMKNSEASA-N 1 3 358.530 2.851 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@H]1c1ccccc1 ZINC000447993711 513651145 /nfs/dbraw/zinc/65/11/45/513651145.db2.gz ZYCJSHKQDPLOLM-IPMKNSEASA-N 1 3 358.530 2.851 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244108 513654865 /nfs/dbraw/zinc/65/48/65/513654865.db2.gz JROXFKNPOSOKFI-UHFFFAOYSA-N 1 3 364.509 2.772 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000422244652 513655946 /nfs/dbraw/zinc/65/59/46/513655946.db2.gz MTMUYVUQKAFWEA-UHFFFAOYSA-N 1 3 360.546 2.941 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418807038 513662925 /nfs/dbraw/zinc/66/29/25/513662925.db2.gz YVHINDPRNRBOCK-SLFFLAALSA-N 1 3 358.530 2.668 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425671622 513692369 /nfs/dbraw/zinc/69/23/69/513692369.db2.gz IOZDQGLBZCLXFR-NZSAHSFTSA-N 1 3 358.530 2.851 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H](N4CCCC4)C3)ccc21 ZINC000430674732 513719851 /nfs/dbraw/zinc/71/98/51/513719851.db2.gz JWEHCFKGFRMFDB-LJQANCHMSA-N 1 3 354.498 2.691 20 0 FFADHO CCN1CCCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442591080 513739968 /nfs/dbraw/zinc/73/99/68/513739968.db2.gz GQLDFZASSUCIHG-UHFFFAOYSA-N 1 3 350.551 2.770 20 0 FFADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000430931718 513784550 /nfs/dbraw/zinc/78/45/50/513784550.db2.gz CGPZOHLXFICKOO-STQMWFEESA-N 1 3 355.885 2.885 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)CC(F)(F)F ZINC000413738572 513794135 /nfs/dbraw/zinc/79/41/35/513794135.db2.gz ASWLJPGUFCPYLT-CABCVRRESA-N 1 3 366.472 2.632 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)CC(F)(F)F ZINC000413738572 513794143 /nfs/dbraw/zinc/79/41/43/513794143.db2.gz ASWLJPGUFCPYLT-CABCVRRESA-N 1 3 366.472 2.632 20 0 FFADHO CN1CCN(CC[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1(C)C ZINC000442880939 513802692 /nfs/dbraw/zinc/80/26/92/513802692.db2.gz ZYJHIEKEELITKM-UXHICEINSA-N 1 3 359.558 2.986 20 0 FFADHO CN1CCN(CC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1(C)C ZINC000442874888 513802868 /nfs/dbraw/zinc/80/28/68/513802868.db2.gz MWMQYFGIANOJSR-HXUWFJFHSA-N 1 3 367.541 2.865 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CN(C)C ZINC000425945268 513803398 /nfs/dbraw/zinc/80/33/98/513803398.db2.gz QCUDJULMKQFVCF-STQMWFEESA-N 1 3 356.308 2.954 20 0 FFADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+](C)C ZINC000425945268 513803400 /nfs/dbraw/zinc/80/34/00/513803400.db2.gz QCUDJULMKQFVCF-STQMWFEESA-N 1 3 356.308 2.954 20 0 FFADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431037627 513811380 /nfs/dbraw/zinc/81/13/80/513811380.db2.gz LAJCRUFPCIFLLS-HXUWFJFHSA-N 1 3 371.525 2.824 20 0 FFADHO C[C@@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)CCCC2 ZINC000431042398 513813159 /nfs/dbraw/zinc/81/31/59/513813159.db2.gz HGCZZJBWZKLKDB-QGZVFWFLSA-N 1 3 355.526 2.818 20 0 FFADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000443061014 513858673 /nfs/dbraw/zinc/85/86/73/513858673.db2.gz QNDXQPXMSQIANU-QGZVFWFLSA-N 1 3 359.514 2.685 20 0 FFADHO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443064134 513858979 /nfs/dbraw/zinc/85/89/79/513858979.db2.gz BXKKFTXBHVGWDS-HOTGVXAUSA-N 1 3 367.921 2.627 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422625185 513879419 /nfs/dbraw/zinc/87/94/19/513879419.db2.gz AVLHCWVDVKLTJM-MCIONIFRSA-N 1 3 353.894 2.982 20 0 FFADHO COc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c(OC)c1OC ZINC000422709565 513908629 /nfs/dbraw/zinc/90/86/29/513908629.db2.gz ZKBMEDNJQJCDTR-ZDUSSCGKSA-N 1 3 359.470 2.768 20 0 FFADHO Brc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422717880 513910109 /nfs/dbraw/zinc/91/01/09/513910109.db2.gz PEHFZPIDSAUODB-MELADBBJSA-N 1 3 359.333 2.800 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422725788 513913417 /nfs/dbraw/zinc/91/34/17/513913417.db2.gz CIPOKEUIRZSZIT-NBMRYCAZSA-N 1 3 371.447 2.622 20 0 FFADHO CCOc1cc(CCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000422762179 513926207 /nfs/dbraw/zinc/92/62/07/513926207.db2.gz RZTJVSGQVUQELO-GBESFXJTSA-N 1 3 362.514 2.773 20 0 FFADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422765139 513926225 /nfs/dbraw/zinc/92/62/25/513926225.db2.gz KMNZOVDBJVVDAR-OALUTQOASA-N 1 3 365.543 2.611 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000422787991 513931385 /nfs/dbraw/zinc/93/13/85/513931385.db2.gz MUWFULOYNRUKBJ-FVQBIDKESA-N 1 3 360.420 2.986 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccncc2s1 ZINC000448852777 513932989 /nfs/dbraw/zinc/93/29/89/513932989.db2.gz LWVJQSDOJXLZMG-INIZCTEOSA-N 1 3 360.527 2.784 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000422802900 513938006 /nfs/dbraw/zinc/93/80/06/513938006.db2.gz HVKHDIMVDGBLCZ-KKSFZXQISA-N 1 3 354.498 2.573 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(OCC)c(F)c2)CC[NH2+]CC1 ZINC000422864198 513956418 /nfs/dbraw/zinc/95/64/18/513956418.db2.gz UNVSQJHIJFCSFY-CQSZACIVSA-N 1 3 352.450 2.635 20 0 FFADHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422878257 513960501 /nfs/dbraw/zinc/96/05/01/513960501.db2.gz JWQWWHJMMVMPJL-PWRODBHTSA-N 1 3 371.573 2.624 20 0 FFADHO COC(=O)c1cnc([C@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000414087992 513971471 /nfs/dbraw/zinc/97/14/71/513971471.db2.gz IMYOWOXCIYHFNR-ZDUSSCGKSA-N 1 3 360.483 2.892 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)cn1 ZINC000414108331 513977479 /nfs/dbraw/zinc/97/74/79/513977479.db2.gz JYQUDDLFQBDAJI-QGZVFWFLSA-N 1 3 369.509 2.768 20 0 FFADHO C[C@@H](NCC1(c2cccc(Br)c2)CCOCC1)C1C[NH2+]C1 ZINC000422939120 513982544 /nfs/dbraw/zinc/98/25/44/513982544.db2.gz HTVCSZXVNSJWKX-CYBMUJFWSA-N 1 3 353.304 2.695 20 0 FFADHO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCOCC1)C1CNC1 ZINC000422939120 513982551 /nfs/dbraw/zinc/98/25/51/513982551.db2.gz HTVCSZXVNSJWKX-CYBMUJFWSA-N 1 3 353.304 2.695 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1OC ZINC000422984935 513998721 /nfs/dbraw/zinc/99/87/21/513998721.db2.gz BPVLUTZBGWZNHU-OKYOBFRVSA-N 1 3 361.530 2.817 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000416843645 513998613 /nfs/dbraw/zinc/99/86/13/513998613.db2.gz PBOPSSKALRHARK-JKSUJKDBSA-N 1 3 350.532 2.655 20 0 FFADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414181764 514000363 /nfs/dbraw/zinc/00/03/63/514000363.db2.gz CLPZJFLJAQPAHK-QGZVFWFLSA-N 1 3 365.949 2.657 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416847567 514000387 /nfs/dbraw/zinc/00/03/87/514000387.db2.gz VJNQPQYNJXTRNO-JYJNAYRXSA-N 1 3 350.532 2.702 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422994153 514003381 /nfs/dbraw/zinc/00/33/81/514003381.db2.gz UQVZGHCBIHVTQK-XJKSGUPXSA-N 1 3 368.319 2.503 20 0 FFADHO Cc1ccc(C2CC([NH2+]CC3(N4CCOCC4)CCN(C)CC3)C2)cc1 ZINC000414188624 514003770 /nfs/dbraw/zinc/00/37/70/514003770.db2.gz IXQQTOQPVMLKMF-UHFFFAOYSA-N 1 3 357.542 2.627 20 0 FFADHO CN(C)[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)Cc1ccccc1 ZINC000416853817 514004845 /nfs/dbraw/zinc/00/48/45/514004845.db2.gz UQUOZULCRITKQZ-OAQYLSRUSA-N 1 3 368.525 2.720 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416855373 514006542 /nfs/dbraw/zinc/00/65/42/514006542.db2.gz PYNQHBVYSDADLE-FXAWDEMLSA-N 1 3 374.529 2.521 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)(N2CCOCC2)CC1 ZINC000414197773 514007877 /nfs/dbraw/zinc/00/78/77/514007877.db2.gz PYRKPAQMTIVJJW-LJQANCHMSA-N 1 3 363.933 2.714 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H](C)C1CCCCC1 ZINC000414197099 514008171 /nfs/dbraw/zinc/00/81/71/514008171.db2.gz PEQRRKDOLSZIJB-RBUKOAKNSA-N 1 3 351.579 2.978 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C1CC1 ZINC000426677571 514013409 /nfs/dbraw/zinc/01/34/09/514013409.db2.gz MPRDUCFSGPVCRX-PZJWPPBQSA-N 1 3 355.526 2.984 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C1CC1 ZINC000426677571 514013414 /nfs/dbraw/zinc/01/34/14/514013414.db2.gz MPRDUCFSGPVCRX-PZJWPPBQSA-N 1 3 355.526 2.984 20 0 FFADHO Cc1cc(N2CC[C@H](N[C@H](C)CCCC[NH3+])C2=O)ccc1Br ZINC000423050398 514018900 /nfs/dbraw/zinc/01/89/00/514018900.db2.gz LWRLUCAPOXBMJA-CJNGLKHVSA-N 1 3 368.319 2.970 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000416880202 514020801 /nfs/dbraw/zinc/02/08/01/514020801.db2.gz GGEAMRKETJIXKT-FQEVSTJZSA-N 1 3 354.498 2.810 20 0 FFADHO [NH3+]CC1CCC(N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000423054803 514021358 /nfs/dbraw/zinc/02/13/58/514021358.db2.gz VESJUTQTMSVVNP-SSDMNJCBSA-N 1 3 355.404 2.918 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000431866348 514025255 /nfs/dbraw/zinc/02/52/55/514025255.db2.gz UQKWYTFIKZWXBP-HXUWFJFHSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000431866348 514025262 /nfs/dbraw/zinc/02/52/62/514025262.db2.gz UQKWYTFIKZWXBP-HXUWFJFHSA-N 1 3 373.541 2.524 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1ccccc1Br ZINC000423073036 514028456 /nfs/dbraw/zinc/02/84/56/514028456.db2.gz IDJQYVPOEKPOJD-KBRIMQKVSA-N 1 3 355.320 2.850 20 0 FFADHO FC(F)C(F)(F)COCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423079921 514032401 /nfs/dbraw/zinc/03/24/01/514032401.db2.gz YVFQWSNKDUBVFN-XJKSGUPXSA-N 1 3 362.367 2.749 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000416902837 514035077 /nfs/dbraw/zinc/03/50/77/514035077.db2.gz MGXWHSNARYBZBX-OAQYLSRUSA-N 1 3 356.514 2.568 20 0 FFADHO Cn1cc(CN2CCC(OCC[NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449028837 514036754 /nfs/dbraw/zinc/03/67/54/514036754.db2.gz PDCOVGOWAQNSLC-UHFFFAOYSA-N 1 3 360.477 2.769 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1ccc(I)cc1 ZINC000423114698 514047195 /nfs/dbraw/zinc/04/71/95/514047195.db2.gz MDVXONLTWABLMD-IUODEOHRSA-N 1 3 374.266 2.777 20 0 FFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000423114698 514047201 /nfs/dbraw/zinc/04/72/01/514047201.db2.gz MDVXONLTWABLMD-IUODEOHRSA-N 1 3 374.266 2.777 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1(C)C ZINC000414322857 514047518 /nfs/dbraw/zinc/04/75/18/514047518.db2.gz HQRBRBDUWUMVOS-PMACEKPBSA-N 1 3 373.541 2.677 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423149442 514059449 /nfs/dbraw/zinc/05/94/49/514059449.db2.gz AQJBWBTTYULZRR-XKQJLSEDSA-N 1 3 373.310 2.989 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccnc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000423151892 514061976 /nfs/dbraw/zinc/06/19/76/514061976.db2.gz DGUAZYQMYCLTIE-LBPRGKRZSA-N 1 3 359.392 2.511 20 0 FFADHO C[NH2+]CCCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416963227 514070755 /nfs/dbraw/zinc/07/07/55/514070755.db2.gz REHMSTVOCXHLQA-UHFFFAOYSA-N 1 3 354.498 2.824 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnc(N(C)C)n1C ZINC000414374779 514074722 /nfs/dbraw/zinc/07/47/22/514074722.db2.gz DHZBTYSNYFNVFY-IAGOWNOFSA-N 1 3 355.530 2.732 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000416973322 514079008 /nfs/dbraw/zinc/07/90/08/514079008.db2.gz JRYAQEOZRDHFMV-UHFFFAOYSA-N 1 3 370.541 2.745 20 0 FFADHO [NH3+]C[C@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCC1 ZINC000416978404 514086583 /nfs/dbraw/zinc/08/65/83/514086583.db2.gz QXXFECSQPHYYTH-FQEVSTJZSA-N 1 3 358.530 2.510 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[C@H](C)CN1 ZINC000416979943 514088797 /nfs/dbraw/zinc/08/87/97/514088797.db2.gz SZAVTYURYUUSCS-FGTMMUONSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[C@H](C)CN1 ZINC000416979943 514088808 /nfs/dbraw/zinc/08/88/08/514088808.db2.gz SZAVTYURYUUSCS-FGTMMUONSA-N 1 3 358.530 2.953 20 0 FFADHO CCN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000420318255 514090322 /nfs/dbraw/zinc/09/03/22/514090322.db2.gz OFTVPVKJXCOFSG-HSQYWUDLSA-N 1 3 356.510 2.879 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323198 514094965 /nfs/dbraw/zinc/09/49/65/514094965.db2.gz UBHNVWAJOKWFIO-HKUYNNGSSA-N 1 3 354.498 2.875 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323198 514094971 /nfs/dbraw/zinc/09/49/71/514094971.db2.gz UBHNVWAJOKWFIO-HKUYNNGSSA-N 1 3 354.498 2.875 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000420323198 514094975 /nfs/dbraw/zinc/09/49/75/514094975.db2.gz UBHNVWAJOKWFIO-HKUYNNGSSA-N 1 3 354.498 2.875 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCC([C@@H]3CCC[NH2+]3)CC2)C2CC2)cc1 ZINC000420331493 514098502 /nfs/dbraw/zinc/09/85/02/514098502.db2.gz FBFNWSIYKALLOX-NRFANRHFSA-N 1 3 355.526 2.950 20 0 FFADHO C[C@H](C(=O)N1CCSc2ccccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331637 514098549 /nfs/dbraw/zinc/09/85/49/514098549.db2.gz RBTYSQPEMPGMEE-IKGGRYGDSA-N 1 3 359.539 2.835 20 0 FFADHO CS(=O)(=O)c1cccc([C@H](NCCCC[NH3+])c2ccc(F)cc2)c1 ZINC000423334140 514112633 /nfs/dbraw/zinc/11/26/33/514112633.db2.gz SDFCJLBZNPCMGT-GOSISDBHSA-N 1 3 350.459 2.647 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423422663 514138232 /nfs/dbraw/zinc/13/82/32/514138232.db2.gz DAOPLWDKJDWMKJ-RBUKOAKNSA-N 1 3 361.530 2.672 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420415781 514140922 /nfs/dbraw/zinc/14/09/22/514140922.db2.gz VGDHMNRMPUFNEV-YJBOKZPZSA-N 1 3 369.513 2.734 20 0 FFADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000444182002 514146825 /nfs/dbraw/zinc/14/68/25/514146825.db2.gz KVZSLYNVZDHQOR-NNWRFLSQSA-N 1 3 353.510 2.501 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000417065464 514150122 /nfs/dbraw/zinc/15/01/22/514150122.db2.gz KIAANLSMRZEQBB-IBGZPJMESA-N 1 3 358.530 2.668 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423496149 514152978 /nfs/dbraw/zinc/15/29/78/514152978.db2.gz DLGZDKBKLVTYOO-HNAYVOBHSA-N 1 3 361.511 2.726 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449312144 514157588 /nfs/dbraw/zinc/15/75/88/514157588.db2.gz PHMUNPLGMHTQQU-GGAORHGYSA-N 1 3 363.505 2.871 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417086274 514161400 /nfs/dbraw/zinc/16/14/00/514161400.db2.gz DTYXGRHHXCXWHK-HXUWFJFHSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000417086329 514161489 /nfs/dbraw/zinc/16/14/89/514161489.db2.gz FDJVLGIFBXXDGL-INIZCTEOSA-N 1 3 358.530 2.592 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449318431 514162000 /nfs/dbraw/zinc/16/20/00/514162000.db2.gz GNBJAAAWAYYYGR-UHFFFAOYSA-N 1 3 372.513 2.888 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000417089601 514162578 /nfs/dbraw/zinc/16/25/78/514162578.db2.gz QKXXQQAFJBJUTR-QWFCFKBJSA-N 1 3 358.530 2.715 20 0 FFADHO C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000417088430 514163050 /nfs/dbraw/zinc/16/30/50/514163050.db2.gz KNVHUSGKCBIFDY-LPHOPBHVSA-N 1 3 358.530 2.592 20 0 FFADHO Cc1ncc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000423550226 514167578 /nfs/dbraw/zinc/16/75/78/514167578.db2.gz FNEJHBSRMPCZIH-MRXNPFEDSA-N 1 3 353.514 2.738 20 0 FFADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417108117 514171823 /nfs/dbraw/zinc/17/18/23/514171823.db2.gz JCZIEDHVAUQLQV-COHPWVSRSA-N 1 3 356.514 2.575 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000423744976 514217038 /nfs/dbraw/zinc/21/70/38/514217038.db2.gz OYVLYWIYBYCYNP-FQEVSTJZSA-N 1 3 357.473 2.978 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000417224728 514244804 /nfs/dbraw/zinc/24/48/04/514244804.db2.gz VZJUMKZRPMWXBG-RXVVDRJESA-N 1 3 366.509 2.992 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000423877986 514273434 /nfs/dbraw/zinc/27/34/34/514273434.db2.gz DLHFAWZBLOOOGZ-YLJYHZDGSA-N 1 3 359.514 2.728 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291548 514278288 /nfs/dbraw/zinc/27/82/88/514278288.db2.gz ASQJTBUUQBEJKK-OAHLLOKOSA-N 1 3 360.424 2.736 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000423892169 514278490 /nfs/dbraw/zinc/27/84/90/514278490.db2.gz KGJQXPXVCSLXOP-HXUWFJFHSA-N 1 3 353.466 2.721 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000420757718 514280514 /nfs/dbraw/zinc/28/05/14/514280514.db2.gz FOPMUEGVOQBOBM-UHFFFAOYSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417333087 514298212 /nfs/dbraw/zinc/29/82/12/514298212.db2.gz ROQPJNIAJVHPGA-HCXYKTFWSA-N 1 3 350.551 2.671 20 0 FFADHO CCNC(=O)COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414809761 514304054 /nfs/dbraw/zinc/30/40/54/514304054.db2.gz NBBBIQBFQTWTCG-HNNXBMFYSA-N 1 3 371.481 2.520 20 0 FFADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417352834 514306875 /nfs/dbraw/zinc/30/68/75/514306875.db2.gz HFFWVSKYFYVNSM-ZWKOTPCHSA-N 1 3 358.530 2.954 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000420907462 514368288 /nfs/dbraw/zinc/36/82/88/514368288.db2.gz DFWDNDVNWHOTCH-SOAGJPPSSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)CN1CCC([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000428242115 514430931 /nfs/dbraw/zinc/43/09/31/514430931.db2.gz GWUQVMSKCKGJST-AWEZNQCLSA-N 1 3 370.335 2.709 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000415079760 514434464 /nfs/dbraw/zinc/43/44/64/514434464.db2.gz KNHHQVHKCBUPMP-CYBMUJFWSA-N 1 3 374.312 2.549 20 0 FFADHO C[C@H](CC[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(C(F)(F)F)c1 ZINC000415085098 514436122 /nfs/dbraw/zinc/43/61/22/514436122.db2.gz HWGXARIHSFCBBC-HUUCEWRRSA-N 1 3 371.447 2.986 20 0 FFADHO CC(C)([NH3+])CN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000415094252 514440622 /nfs/dbraw/zinc/44/06/22/514440622.db2.gz DLSKJSNOUMXGAO-UHFFFAOYSA-N 1 3 350.938 2.664 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424294434 514448801 /nfs/dbraw/zinc/44/88/01/514448801.db2.gz QJGLITARIIDNQV-IRXDYDNUSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424300549 514450280 /nfs/dbraw/zinc/45/02/80/514450280.db2.gz WROOJECTDLUPOG-CYBMUJFWSA-N 1 3 371.403 2.988 20 0 FFADHO COCc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000415125898 514455369 /nfs/dbraw/zinc/45/53/69/514455369.db2.gz FPOFWONHOZITCP-UHFFFAOYSA-N 1 3 353.510 2.916 20 0 FFADHO Brc1cccc(CN2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC000415146931 514469768 /nfs/dbraw/zinc/46/97/68/514469768.db2.gz ZRHSMKOFJATWKR-UHFFFAOYSA-N 1 3 352.320 2.755 20 0 FFADHO Brc1cccc(CN2CCC(NC3CC[NH2+]CC3)CC2)c1 ZINC000415146931 514469774 /nfs/dbraw/zinc/46/97/74/514469774.db2.gz ZRHSMKOFJATWKR-UHFFFAOYSA-N 1 3 352.320 2.755 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000452783163 514493986 /nfs/dbraw/zinc/49/39/86/514493986.db2.gz ZQXUAYVDOWXMFA-IBGZPJMESA-N 1 3 365.562 2.648 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465895637 514513866 /nfs/dbraw/zinc/51/38/66/514513866.db2.gz CMFWAIUBOYEUEK-QZTJIDSGSA-N 1 3 372.557 2.648 20 0 FFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465895639 514514686 /nfs/dbraw/zinc/51/46/86/514514686.db2.gz CMFWAIUBOYEUEK-ROUUACIJSA-N 1 3 372.557 2.648 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000439290792 514524619 /nfs/dbraw/zinc/52/46/19/514524619.db2.gz BSOBUISADCLXSX-CQSZACIVSA-N 1 3 364.456 2.529 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21)N1CCN(C)CC1 ZINC000453095961 514543118 /nfs/dbraw/zinc/54/31/18/514543118.db2.gz HUCCZIGTSMCSRO-ADHNFCLRSA-N 1 3 370.585 2.655 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000455475868 514546943 /nfs/dbraw/zinc/54/69/43/514546943.db2.gz NMKQQKKBXDRNSL-VJAOCGABSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455475868 514546951 /nfs/dbraw/zinc/54/69/51/514546951.db2.gz NMKQQKKBXDRNSL-VJAOCGABSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466104413 514560171 /nfs/dbraw/zinc/56/01/71/514560171.db2.gz ONSCAGHBSJNDFU-NUJGCVRESA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000466104413 514560177 /nfs/dbraw/zinc/56/01/77/514560177.db2.gz ONSCAGHBSJNDFU-NUJGCVRESA-N 1 3 364.559 2.867 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475118350 514564178 /nfs/dbraw/zinc/56/41/78/514564178.db2.gz NHWZCDVVELWRCI-FPOVZHCZSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475118350 514564183 /nfs/dbraw/zinc/56/41/83/514564183.db2.gz NHWZCDVVELWRCI-FPOVZHCZSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCCC[C@@]1(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458127347 514579016 /nfs/dbraw/zinc/57/90/16/514579016.db2.gz MHYJYBKADGRXIP-OXQOHEQNSA-N 1 3 350.551 2.813 20 0 FFADHO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(C)C ZINC000453274760 514585267 /nfs/dbraw/zinc/58/52/67/514585267.db2.gz DEARMKOPTUBCHH-NCYKPQTJSA-N 1 3 357.542 2.990 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461420656 514611127 /nfs/dbraw/zinc/61/11/27/514611127.db2.gz ARSPAMIISKENKI-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461420656 514611135 /nfs/dbraw/zinc/61/11/35/514611135.db2.gz ARSPAMIISKENKI-QHAWAJNXSA-N 1 3 355.526 2.841 20 0 FFADHO COc1cc(C)c(C[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000502336624 514618651 /nfs/dbraw/zinc/61/86/51/514618651.db2.gz VUEKKWUPIBEKJI-QGZVFWFLSA-N 1 3 363.546 2.559 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000508043471 514645051 /nfs/dbraw/zinc/64/50/51/514645051.db2.gz IUXQDGYCQQSCSU-DLBZAZTESA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000508043471 514645059 /nfs/dbraw/zinc/64/50/59/514645059.db2.gz IUXQDGYCQQSCSU-DLBZAZTESA-N 1 3 374.520 2.869 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000466525475 514675609 /nfs/dbraw/zinc/67/56/09/514675609.db2.gz IMRSIEUZQFVOJI-LMMKCTJWSA-N 1 3 360.546 2.925 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)c3ccc(CN(C)C)cc3)CCCC2)CC1 ZINC000502509585 514676557 /nfs/dbraw/zinc/67/65/57/514676557.db2.gz LMHWDGOYFXJFFM-UHFFFAOYSA-N 1 3 373.541 2.902 20 0 FFADHO C[C@H]1CN(CCC2CC[NH2+]CC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000479700616 514693691 /nfs/dbraw/zinc/69/36/91/514693691.db2.gz MQJKEYHSFWEJLO-INIZCTEOSA-N 1 3 363.933 2.805 20 0 FFADHO O[C@H](COc1ccc(F)cc1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471014359 514715833 /nfs/dbraw/zinc/71/58/33/514715833.db2.gz JRMMIUAJYWHRDL-ZVDOUQERSA-N 1 3 370.468 2.629 20 0 FFADHO O[C@H](COc1ccc(F)cc1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471014359 514715843 /nfs/dbraw/zinc/71/58/43/514715843.db2.gz JRMMIUAJYWHRDL-ZVDOUQERSA-N 1 3 370.468 2.629 20 0 FFADHO CC[NH+](CC)CCOC1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000466721395 514742006 /nfs/dbraw/zinc/74/20/06/514742006.db2.gz FBURMUCHWXHIEL-GOSISDBHSA-N 1 3 355.567 2.843 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000498110857 514763547 /nfs/dbraw/zinc/76/35/47/514763547.db2.gz FNQXJCNXDPLCBB-GOSISDBHSA-N 1 3 350.482 2.602 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c(C)c2)CC1 ZINC000498195553 514797761 /nfs/dbraw/zinc/79/77/61/514797761.db2.gz LMOFPCHBSWTGIM-RXVVDRJESA-N 1 3 358.530 2.983 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000508545239 514815494 /nfs/dbraw/zinc/81/54/94/514815494.db2.gz IKRDAWRMJZNLSP-SFTDATJTSA-N 1 3 373.541 2.658 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000508545239 514815503 /nfs/dbraw/zinc/81/55/03/514815503.db2.gz IKRDAWRMJZNLSP-SFTDATJTSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000466922952 514829594 /nfs/dbraw/zinc/82/95/94/514829594.db2.gz GSSCHVGGPBFSAP-XSYGEPLQSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000466922952 514829596 /nfs/dbraw/zinc/82/95/96/514829596.db2.gz GSSCHVGGPBFSAP-XSYGEPLQSA-N 1 3 362.562 2.765 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466937060 514833214 /nfs/dbraw/zinc/83/32/14/514833214.db2.gz ZKXYJYXOOWEBIS-KCITZHQASA-N 1 3 350.551 2.669 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000466955826 514840721 /nfs/dbraw/zinc/84/07/21/514840721.db2.gz UXUUAUOULTVIGD-NRFANRHFSA-N 1 3 368.525 2.893 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458503690 514850898 /nfs/dbraw/zinc/85/08/98/514850898.db2.gz MFOQTKQNZQREQL-HLAWJBBLSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458503690 514850908 /nfs/dbraw/zinc/85/09/08/514850908.db2.gz MFOQTKQNZQREQL-HLAWJBBLSA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)CC[C@@H]1C)Cc1ccccc1 ZINC000502948970 514854016 /nfs/dbraw/zinc/85/40/16/514854016.db2.gz KSSQQCVFGXJFHR-AZUAARDMSA-N 1 3 360.546 2.675 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489525176 514881394 /nfs/dbraw/zinc/88/13/94/514881394.db2.gz CBUFYZDUFBOYAS-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489525176 514881403 /nfs/dbraw/zinc/88/14/03/514881403.db2.gz CBUFYZDUFBOYAS-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503031290 514888242 /nfs/dbraw/zinc/88/82/42/514888242.db2.gz DBIVWLZXQRLCKU-BDTNDASRSA-N 1 3 365.521 2.669 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000508872857 514931142 /nfs/dbraw/zinc/93/11/42/514931142.db2.gz SJKOCUJCTNUFQC-IHPCNDPISA-N 1 3 358.530 2.948 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000503147514 514934402 /nfs/dbraw/zinc/93/44/02/514934402.db2.gz XTFKZLUWTDMNQY-PMACEKPBSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000503147514 514934416 /nfs/dbraw/zinc/93/44/16/514934416.db2.gz XTFKZLUWTDMNQY-PMACEKPBSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458626018 514968759 /nfs/dbraw/zinc/96/87/59/514968759.db2.gz FXAQFTXBLGGJQY-UEXGIBASSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCCN(C)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458626018 514968770 /nfs/dbraw/zinc/96/87/70/514968770.db2.gz FXAQFTXBLGGJQY-UEXGIBASSA-N 1 3 362.562 2.767 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000476357536 515017674 /nfs/dbraw/zinc/01/76/74/515017674.db2.gz UMIORSSFMTXIMZ-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000476357536 515017682 /nfs/dbraw/zinc/01/76/82/515017682.db2.gz UMIORSSFMTXIMZ-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@@H](CCNC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000489980139 515056597 /nfs/dbraw/zinc/05/65/97/515056597.db2.gz IADUILPEHGYHAD-VJANTYMQSA-N 1 3 350.551 2.623 20 0 FFADHO Cc1cccc2c1ncc(C)c2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000462502320 515090009 /nfs/dbraw/zinc/09/00/09/515090009.db2.gz HMHHFJUEGOCMSQ-UHFFFAOYSA-N 1 3 354.498 2.628 20 0 FFADHO CCN(CC)CC(=O)N1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000462505680 515092673 /nfs/dbraw/zinc/09/26/73/515092673.db2.gz VQBURCDWKHKAAU-UHFFFAOYSA-N 1 3 354.498 2.842 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000480902029 515130429 /nfs/dbraw/zinc/13/04/29/515130429.db2.gz VCHRWOCAZGUNDD-HKUYNNGSSA-N 1 3 353.551 2.552 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000480902029 515130436 /nfs/dbraw/zinc/13/04/36/515130436.db2.gz VCHRWOCAZGUNDD-HKUYNNGSSA-N 1 3 353.551 2.552 20 0 FFADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000472138730 515140312 /nfs/dbraw/zinc/14/03/12/515140312.db2.gz QWRYMGUHINOXMH-OAQYLSRUSA-N 1 3 359.558 2.661 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000462614137 515152965 /nfs/dbraw/zinc/15/29/65/515152965.db2.gz IOFZLXPIABLUPE-CRAIPNDOSA-N 1 3 352.498 2.848 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000462614137 515152954 /nfs/dbraw/zinc/15/29/54/515152954.db2.gz IOFZLXPIABLUPE-CRAIPNDOSA-N 1 3 352.498 2.848 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)N(C)C)cc1 ZINC000458905244 515185551 /nfs/dbraw/zinc/18/55/51/515185551.db2.gz VJABGGYVLJFUPT-MAUKXSAKSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)N(C)C)cc1 ZINC000458905244 515185560 /nfs/dbraw/zinc/18/55/60/515185560.db2.gz VJABGGYVLJFUPT-MAUKXSAKSA-N 1 3 364.559 2.747 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000458941783 515217743 /nfs/dbraw/zinc/21/77/43/515217743.db2.gz UIDKTLKRIPTBAM-CEXWTWQISA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccco1 ZINC000476847427 515218454 /nfs/dbraw/zinc/21/84/54/515218454.db2.gz RLXREYGXMIMJAQ-IRXDYDNUSA-N 1 3 350.507 2.884 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000481161863 515232229 /nfs/dbraw/zinc/23/22/29/515232229.db2.gz BUMHPXABUBZAAG-FCEUIQTBSA-N 1 3 359.558 2.579 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000472353202 515241217 /nfs/dbraw/zinc/24/12/17/515241217.db2.gz YUXXNTRCAJEGBG-UYAOXDASSA-N 1 3 357.542 2.929 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccco1 ZINC000509579441 515244138 /nfs/dbraw/zinc/24/41/38/515244138.db2.gz VBILULFBYLCDTQ-IRXDYDNUSA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccco1 ZINC000509579441 515244149 /nfs/dbraw/zinc/24/41/49/515244149.db2.gz VBILULFBYLCDTQ-IRXDYDNUSA-N 1 3 350.507 2.835 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000462892288 515286703 /nfs/dbraw/zinc/28/67/03/515286703.db2.gz VWRWOWRNOBVXDR-VOQZNFBZSA-N 1 3 369.553 2.834 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1c(C)cccc1C ZINC000499512271 515352623 /nfs/dbraw/zinc/35/26/23/515352623.db2.gz FICRQHJWZOWZAE-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1c(C)cccc1C ZINC000499512271 515352632 /nfs/dbraw/zinc/35/26/32/515352632.db2.gz FICRQHJWZOWZAE-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000472653527 515352508 /nfs/dbraw/zinc/35/25/08/515352508.db2.gz MLWOVKNFXAZAMQ-SFHVURJKSA-N 1 3 359.514 2.961 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)cc2)CC1 ZINC000468489825 515384914 /nfs/dbraw/zinc/38/49/14/515384914.db2.gz VYRHBPVJUAXICX-FQEVSTJZSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)cc2)CC1 ZINC000468489825 515384920 /nfs/dbraw/zinc/38/49/20/515384920.db2.gz VYRHBPVJUAXICX-FQEVSTJZSA-N 1 3 372.557 2.679 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000509989694 515392983 /nfs/dbraw/zinc/39/29/83/515392983.db2.gz HFUBCHUNPWAYJA-UHFFFAOYSA-N 1 3 360.502 2.719 20 0 FFADHO COC(=O)CCCN1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000463236119 515411885 /nfs/dbraw/zinc/41/18/85/515411885.db2.gz JHLKNRYXQNIVEG-ZWKOTPCHSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1C[C@H](NC[C@@](C)(O)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463284254 515428682 /nfs/dbraw/zinc/42/86/82/515428682.db2.gz PGFQJKLIDHDXES-HGHGUNKESA-N 1 3 362.514 2.722 20 0 FFADHO C[C@@H]1C[C@H](NC[C@@](C)(O)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463284254 515428693 /nfs/dbraw/zinc/42/86/93/515428693.db2.gz PGFQJKLIDHDXES-HGHGUNKESA-N 1 3 362.514 2.722 20 0 FFADHO C[C@@H]1C[C@H](NC[C@](C)(O)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463284253 515428852 /nfs/dbraw/zinc/42/88/52/515428852.db2.gz PGFQJKLIDHDXES-BLIXFSHQSA-N 1 3 362.514 2.722 20 0 FFADHO C[C@@H]1C[C@H](NC[C@](C)(O)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000463284253 515428859 /nfs/dbraw/zinc/42/88/59/515428859.db2.gz PGFQJKLIDHDXES-BLIXFSHQSA-N 1 3 362.514 2.722 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)c2)CC1 ZINC000454444626 515494915 /nfs/dbraw/zinc/49/49/15/515494915.db2.gz XYRDIUYHQWETPW-LEWJYISDSA-N 1 3 370.541 2.764 20 0 FFADHO Cc1cccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000454448139 515497231 /nfs/dbraw/zinc/49/72/31/515497231.db2.gz FUNZOSZENZQZLA-KRWDZBQOSA-N 1 3 358.530 2.914 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000454474262 515516879 /nfs/dbraw/zinc/51/68/79/515516879.db2.gz BTYNFKRPESZQJR-UHFFFAOYSA-N 1 3 360.502 2.765 20 0 FFADHO C[C@H]1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CC(=O)N1Cc1ccccc1 ZINC000459519618 515613350 /nfs/dbraw/zinc/61/33/50/515613350.db2.gz CWTBGNFRUYGAKJ-UWJYYQICSA-N 1 3 364.493 2.830 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2o1 ZINC000505743369 515653206 /nfs/dbraw/zinc/65/32/06/515653206.db2.gz GQRKQQDBEKCQCC-KRWDZBQOSA-N 1 3 372.513 2.635 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2o1 ZINC000505743369 515653216 /nfs/dbraw/zinc/65/32/16/515653216.db2.gz GQRKQQDBEKCQCC-KRWDZBQOSA-N 1 3 372.513 2.635 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000510794120 515670152 /nfs/dbraw/zinc/67/01/52/515670152.db2.gz BMHUDYILWSWYBM-KRWDZBQOSA-N 1 3 359.514 2.787 20 0 FFADHO C[C@@H]1C[C@@H](NCCOc2ccc(I)cc2)CC[N@@H+]1C ZINC000511032728 515751827 /nfs/dbraw/zinc/75/18/27/515751827.db2.gz TYERKZFMTXKWRU-OCCSQVGLSA-N 1 3 374.266 2.742 20 0 FFADHO C[C@@H]1C[C@@H](NCCOc2ccc(I)cc2)CC[N@H+]1C ZINC000511032728 515751832 /nfs/dbraw/zinc/75/18/32/515751832.db2.gz TYERKZFMTXKWRU-OCCSQVGLSA-N 1 3 374.266 2.742 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(OCCN(C)C)c1 ZINC000454832447 515775000 /nfs/dbraw/zinc/77/50/00/515775000.db2.gz GREIQIMFKGALLW-OAQYLSRUSA-N 1 3 374.529 2.885 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(OCCN(C)C)c1 ZINC000454832447 515775006 /nfs/dbraw/zinc/77/50/06/515775006.db2.gz GREIQIMFKGALLW-OAQYLSRUSA-N 1 3 374.529 2.885 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000457377636 515835257 /nfs/dbraw/zinc/83/52/57/515835257.db2.gz QEHAWLWZQDMACS-UNMCSNQZSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000457377636 515835268 /nfs/dbraw/zinc/83/52/68/515835268.db2.gz QEHAWLWZQDMACS-UNMCSNQZSA-N 1 3 370.541 2.951 20 0 FFADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000494618931 515898849 /nfs/dbraw/zinc/89/88/49/515898849.db2.gz GEODZVACLQULMM-DYESRHJHSA-N 1 3 369.509 2.844 20 0 FFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487551225 515902222 /nfs/dbraw/zinc/90/22/22/515902222.db2.gz SSVLDGRPVXTSMK-IZZBFERCSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487551225 515902231 /nfs/dbraw/zinc/90/22/31/515902231.db2.gz SSVLDGRPVXTSMK-IZZBFERCSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487551227 515902326 /nfs/dbraw/zinc/90/23/26/515902326.db2.gz SSVLDGRPVXTSMK-QIJZPMMNSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487551227 515902333 /nfs/dbraw/zinc/90/23/33/515902333.db2.gz SSVLDGRPVXTSMK-QIJZPMMNSA-N 1 3 372.557 2.531 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000483050403 515902533 /nfs/dbraw/zinc/90/25/33/515902533.db2.gz XEVITRBWWOOHQS-VQIMIIECSA-N 1 3 360.502 2.575 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000483050403 515902543 /nfs/dbraw/zinc/90/25/43/515902543.db2.gz XEVITRBWWOOHQS-VQIMIIECSA-N 1 3 360.502 2.575 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000494681474 515921406 /nfs/dbraw/zinc/92/14/06/515921406.db2.gz SFASHHBTXPHURY-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000494681474 515921415 /nfs/dbraw/zinc/92/14/15/515921415.db2.gz SFASHHBTXPHURY-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CN(CC(=O)NCC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053045 515953343 /nfs/dbraw/zinc/95/33/43/515953343.db2.gz MEZLKABUJLWLLJ-UHFFFAOYSA-N 1 3 358.530 2.926 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)CC2CCCCC2)[C@@H](C)C1 ZINC000469788709 515965722 /nfs/dbraw/zinc/96/57/22/515965722.db2.gz VWSJCQJCDQXYEA-AZUAARDMSA-N 1 3 367.578 2.752 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)[C@@H](C)C1 ZINC000469790467 515968425 /nfs/dbraw/zinc/96/84/25/515968425.db2.gz KACHOZPOXDAFEJ-FHWLQOOXSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)COc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000469853800 515998100 /nfs/dbraw/zinc/99/81/00/515998100.db2.gz UUUYRZFODDCXJU-TZIWHRDSSA-N 1 3 373.541 2.802 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000464878249 516003338 /nfs/dbraw/zinc/00/33/38/516003338.db2.gz SXPRVGPGPPASDH-ZWKOTPCHSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000464927293 516017093 /nfs/dbraw/zinc/01/70/93/516017093.db2.gz RVQXDXXLXRQUQW-RXVVDRJESA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000455183090 516021566 /nfs/dbraw/zinc/02/15/66/516021566.db2.gz DSFZYRNDKRTPIE-UXHICEINSA-N 1 3 364.578 2.870 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)CC2)CC1 ZINC000460152140 516047492 /nfs/dbraw/zinc/04/74/92/516047492.db2.gz RUKGMYFIWACSTB-IBGZPJMESA-N 1 3 360.546 2.519 20 0 FFADHO CS[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1N1CCCC1 ZINC000483389213 516059761 /nfs/dbraw/zinc/05/97/61/516059761.db2.gz FHVBUXLASQDGMP-IAGOWNOFSA-N 1 3 353.576 2.537 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488007399 516076654 /nfs/dbraw/zinc/07/66/54/516076654.db2.gz HCNGACQVSKEZFT-ZSYWTGECSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488007399 516076665 /nfs/dbraw/zinc/07/66/65/516076665.db2.gz HCNGACQVSKEZFT-ZSYWTGECSA-N 1 3 364.578 2.869 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](CN)c3ccc(F)cc3)C2)CC1 ZINC000479191518 516099247 /nfs/dbraw/zinc/09/92/47/516099247.db2.gz TTYHFQBKVXXFHQ-PXNSSMCTSA-N 1 3 361.505 2.839 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000479209561 516111528 /nfs/dbraw/zinc/11/15/28/516111528.db2.gz UYIDPIJOTISFIY-DYESRHJHSA-N 1 3 369.484 2.991 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)CC1 ZINC000470150131 516146752 /nfs/dbraw/zinc/14/67/52/516146752.db2.gz VMZHTRYPYYLZBG-PKOBYXMFSA-N 1 3 359.514 2.602 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)CC1 ZINC000470150131 516146761 /nfs/dbraw/zinc/14/67/61/516146761.db2.gz VMZHTRYPYYLZBG-PKOBYXMFSA-N 1 3 359.514 2.602 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465429475 516149381 /nfs/dbraw/zinc/14/93/81/516149381.db2.gz XAXFADMCOULYCU-RTWAWAEBSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465429475 516149388 /nfs/dbraw/zinc/14/93/88/516149388.db2.gz XAXFADMCOULYCU-RTWAWAEBSA-N 1 3 370.541 2.825 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483685517 516170947 /nfs/dbraw/zinc/17/09/47/516170947.db2.gz ODAPHDWNQQUXTD-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483685517 516170958 /nfs/dbraw/zinc/17/09/58/516170958.db2.gz ODAPHDWNQQUXTD-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)Cc1ccccc1 ZINC000465521468 516178216 /nfs/dbraw/zinc/17/82/16/516178216.db2.gz HQEKGHVCBQWUAR-RLLQIKCJSA-N 1 3 360.546 2.721 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@H](C)C1)Cc1ccccc1 ZINC000465521464 516178351 /nfs/dbraw/zinc/17/83/51/516178351.db2.gz HQEKGHVCBQWUAR-HOJAQTOUSA-N 1 3 360.546 2.721 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000465529865 516181256 /nfs/dbraw/zinc/18/12/56/516181256.db2.gz MLZCMCUDPPIWET-BHYGNILZSA-N 1 3 352.548 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000465529865 516181263 /nfs/dbraw/zinc/18/12/63/516181263.db2.gz MLZCMCUDPPIWET-BHYGNILZSA-N 1 3 352.548 2.913 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000470276767 516191985 /nfs/dbraw/zinc/19/19/85/516191985.db2.gz HTNKZUXERRXAFC-ICSRJNTNSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000470276767 516191993 /nfs/dbraw/zinc/19/19/93/516191993.db2.gz HTNKZUXERRXAFC-ICSRJNTNSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000507378521 516193788 /nfs/dbraw/zinc/19/37/88/516193788.db2.gz GBHJBBYXIHDROZ-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000507378521 516193801 /nfs/dbraw/zinc/19/38/01/516193801.db2.gz GBHJBBYXIHDROZ-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000470299760 516199106 /nfs/dbraw/zinc/19/91/06/516199106.db2.gz WULOFWFGGUXTNY-FQEVSTJZSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000465591019 516204509 /nfs/dbraw/zinc/20/45/09/516204509.db2.gz DVHIBLIPJAVALH-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO CCC[C@@]1([NH2+]CC(=O)N2CCCN(Cc3ccccc3C)CC2)CCOC1 ZINC000512262434 516215323 /nfs/dbraw/zinc/21/53/23/516215323.db2.gz PZVDYUIBCXEXFE-JOCHJYFZSA-N 1 3 373.541 2.578 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1F ZINC000501756488 516216306 /nfs/dbraw/zinc/21/63/06/516216306.db2.gz NZWDOFDHWZOOFC-GOSISDBHSA-N 1 3 367.484 2.772 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1F ZINC000501756488 516216313 /nfs/dbraw/zinc/21/63/13/516216313.db2.gz NZWDOFDHWZOOFC-GOSISDBHSA-N 1 3 367.484 2.772 20 0 FFADHO C[NH+](C)C1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCCC1 ZINC000501780892 516221872 /nfs/dbraw/zinc/22/18/72/516221872.db2.gz IGBFJFWTYPYIQI-LJQANCHMSA-N 1 3 358.530 2.997 20 0 FFADHO CC[C@H]1CCCCN1C(=O)CN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000501784571 516224157 /nfs/dbraw/zinc/22/41/57/516224157.db2.gz HQWOLMIRPNJAPN-FQEVSTJZSA-N 1 3 367.578 2.848 20 0 FFADHO CC[C@H]1CCCCN1C(=O)CN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000501784571 516224162 /nfs/dbraw/zinc/22/41/62/516224162.db2.gz HQWOLMIRPNJAPN-FQEVSTJZSA-N 1 3 367.578 2.848 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[N@H+](C)C(C)C)cc2)CC1 ZINC000501856901 516244375 /nfs/dbraw/zinc/24/43/75/516244375.db2.gz UAHVDOBMZWTQJG-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc2)CC1 ZINC000501856901 516244381 /nfs/dbraw/zinc/24/43/81/516244381.db2.gz UAHVDOBMZWTQJG-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000457944994 516246640 /nfs/dbraw/zinc/24/66/40/516246640.db2.gz ZGYGQHNUSDVYKM-KAGYGMCKSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000457944994 516246647 /nfs/dbraw/zinc/24/66/47/516246647.db2.gz ZGYGQHNUSDVYKM-KAGYGMCKSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)C[NH+]1CCCCC1 ZINC000457951774 516250577 /nfs/dbraw/zinc/25/05/77/516250577.db2.gz WCMZAQLBFAZEOE-QGZVFWFLSA-N 1 3 366.575 2.943 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](c3nc(C)no3)C2)CC1 ZINC000496447059 516261691 /nfs/dbraw/zinc/26/16/91/516261691.db2.gz IEMAMETVYNRWMX-SFHVURJKSA-N 1 3 355.486 2.509 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](c3nc(C)no3)C2)CC1 ZINC000496447059 516261698 /nfs/dbraw/zinc/26/16/98/516261698.db2.gz IEMAMETVYNRWMX-SFHVURJKSA-N 1 3 355.486 2.509 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000497581805 516327124 /nfs/dbraw/zinc/32/71/24/516327124.db2.gz FNUJEOVPLKSHII-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000512709916 516333782 /nfs/dbraw/zinc/33/37/82/516333782.db2.gz IVHFPKWHKJBCLP-UHFFFAOYSA-N 1 3 373.472 2.976 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000528314539 516340112 /nfs/dbraw/zinc/34/01/12/516340112.db2.gz IHVDSEMAKPBTQW-RTWAWAEBSA-N 1 3 373.516 2.994 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557634481 516350205 /nfs/dbraw/zinc/35/02/05/516350205.db2.gz GCMCJHJOTJWHSA-HXUWFJFHSA-N 1 3 373.541 2.514 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557634481 516350211 /nfs/dbraw/zinc/35/02/11/516350211.db2.gz GCMCJHJOTJWHSA-HXUWFJFHSA-N 1 3 373.541 2.514 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cn(C)c2ccccc12 ZINC000523004943 516370778 /nfs/dbraw/zinc/37/07/78/516370778.db2.gz YQCMTPUDLYKIHK-IBGZPJMESA-N 1 3 370.541 2.595 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cn(C)c2ccccc12 ZINC000523004943 516370787 /nfs/dbraw/zinc/37/07/87/516370787.db2.gz YQCMTPUDLYKIHK-IBGZPJMESA-N 1 3 370.541 2.595 20 0 FFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000531290618 516391420 /nfs/dbraw/zinc/39/14/20/516391420.db2.gz FSNPGNMOHWZLCA-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CC(C)(C)[N@H+]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000531290618 516391428 /nfs/dbraw/zinc/39/14/28/516391428.db2.gz FSNPGNMOHWZLCA-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000543762744 516417384 /nfs/dbraw/zinc/41/73/84/516417384.db2.gz YAMURIYPSQLBMP-YCHQTSKFSA-N 1 3 355.526 2.921 20 0 FFADHO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCN(CCCOCC)C[C@H]2C)c1 ZINC000540193023 516468075 /nfs/dbraw/zinc/46/80/75/516468075.db2.gz ZIBYIRKXZYQIBI-YLJYHZDGSA-N 1 3 361.530 2.663 20 0 FFADHO CS[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1N1CCCC1 ZINC000547736786 516531748 /nfs/dbraw/zinc/53/17/48/516531748.db2.gz UWJHUGGOBWEVEI-MSOLQXFVSA-N 1 3 353.576 2.679 20 0 FFADHO CS[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1N1CCCC1 ZINC000547736786 516531754 /nfs/dbraw/zinc/53/17/54/516531754.db2.gz UWJHUGGOBWEVEI-MSOLQXFVSA-N 1 3 353.576 2.679 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N(C)Cc1ccccc1 ZINC000535937013 516562670 /nfs/dbraw/zinc/56/26/70/516562670.db2.gz NTJAKRPGPILGCV-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO c1ccc2c(c1)OC[C@H](CN[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)O2 ZINC000518164365 516564663 /nfs/dbraw/zinc/56/46/63/516564663.db2.gz RAVGOJRPHKVYOK-LUQKVYGDSA-N 1 3 352.434 2.672 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(CC(=O)N(C)C)CC2)CC1 ZINC000513356848 516584199 /nfs/dbraw/zinc/58/41/99/516584199.db2.gz ITOKDQSGOABRPO-UHFFFAOYSA-N 1 3 372.557 2.519 20 0 FFADHO O=C(NCCNc1ccncc1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000536019459 516594453 /nfs/dbraw/zinc/59/44/53/516594453.db2.gz YIYKIWANERACNJ-UHFFFAOYSA-N 1 3 367.497 2.766 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000523876423 516601443 /nfs/dbraw/zinc/60/14/43/516601443.db2.gz HBWQEYAOYLQCTF-ZSYWTGECSA-N 1 3 352.567 2.772 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC(C)CC1 ZINC000523876423 516601449 /nfs/dbraw/zinc/60/14/49/516601449.db2.gz HBWQEYAOYLQCTF-ZSYWTGECSA-N 1 3 352.567 2.772 20 0 FFADHO CC1CCN(CCNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000518403386 516646470 /nfs/dbraw/zinc/64/64/70/516646470.db2.gz MGLRUZIDVYRCBT-QZTJIDSGSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000528762526 516678913 /nfs/dbraw/zinc/67/89/13/516678913.db2.gz LVPRGZGIHKHQSC-XNXCGYLDSA-N 1 3 373.541 2.557 20 0 FFADHO C[C@H](CCNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000544299517 516686198 /nfs/dbraw/zinc/68/61/98/516686198.db2.gz IKVWOMARNNIAPT-LJQANCHMSA-N 1 3 372.557 2.999 20 0 FFADHO C/C=C/c1ccc(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)c(OC)c1 ZINC000524370784 516703996 /nfs/dbraw/zinc/70/39/96/516703996.db2.gz AWMRQEWLEGHJLQ-UEKDZROGSA-N 1 3 362.514 2.742 20 0 FFADHO C[C@H](CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C)[NH+]1CCCCC1 ZINC000544332611 516705391 /nfs/dbraw/zinc/70/53/91/516705391.db2.gz SLYUJJDCPDTHEA-UYAOXDASSA-N 1 3 360.546 2.723 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000518632010 516728780 /nfs/dbraw/zinc/72/87/80/516728780.db2.gz VKOFZLIGXGTLCY-GOSISDBHSA-N 1 3 360.502 2.719 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000518632010 516728790 /nfs/dbraw/zinc/72/87/90/516728790.db2.gz VKOFZLIGXGTLCY-GOSISDBHSA-N 1 3 360.502 2.719 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000536417883 516755236 /nfs/dbraw/zinc/75/52/36/516755236.db2.gz CXLJFWIEFQOEKV-IRLDBZIGSA-N 1 3 373.541 2.646 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000540926249 516776157 /nfs/dbraw/zinc/77/61/57/516776157.db2.gz DSNYNQSJCYXKDM-HKUYNNGSSA-N 1 3 352.482 2.860 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555106852 516784684 /nfs/dbraw/zinc/78/46/84/516784684.db2.gz DWNTVCFMQYQAQD-KRWDZBQOSA-N 1 3 354.926 2.974 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000518967443 516835642 /nfs/dbraw/zinc/83/56/42/516835642.db2.gz OXCHZDSRWWEVTD-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000518967443 516835650 /nfs/dbraw/zinc/83/56/50/516835650.db2.gz OXCHZDSRWWEVTD-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccsc1Cl ZINC000551778659 516867517 /nfs/dbraw/zinc/86/75/17/516867517.db2.gz LVTSBTKPZOYWMG-CQSZACIVSA-N 1 3 373.950 2.655 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccsc1Cl ZINC000551778659 516867524 /nfs/dbraw/zinc/86/75/24/516867524.db2.gz LVTSBTKPZOYWMG-CQSZACIVSA-N 1 3 373.950 2.655 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000514173935 516888815 /nfs/dbraw/zinc/88/88/15/516888815.db2.gz ZVWXJUMZKSHUGW-UYAOXDASSA-N 1 3 358.530 2.681 20 0 FFADHO c1cc(CN2CCOCC3(CC3)C2)cc(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000541128398 516892326 /nfs/dbraw/zinc/89/23/26/516892326.db2.gz YYPKMTBCQUBENC-UHFFFAOYSA-N 1 3 356.510 2.911 20 0 FFADHO c1cc(CN2CCOCC3(CC3)C2)cc(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000541128398 516892337 /nfs/dbraw/zinc/89/23/37/516892337.db2.gz YYPKMTBCQUBENC-UHFFFAOYSA-N 1 3 356.510 2.911 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000514232281 516916745 /nfs/dbraw/zinc/91/67/45/516916745.db2.gz JWDZWOLPWIBMEV-SQNIBIBYSA-N 1 3 352.567 2.774 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000525165074 516939374 /nfs/dbraw/zinc/93/93/74/516939374.db2.gz OZECKJDQXPRASC-PMACEKPBSA-N 1 3 358.530 2.626 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000525165074 516939386 /nfs/dbraw/zinc/93/93/86/516939386.db2.gz OZECKJDQXPRASC-PMACEKPBSA-N 1 3 358.530 2.626 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000514566499 516940375 /nfs/dbraw/zinc/94/03/75/516940375.db2.gz CWZFLHKDXLEGTR-HXUWFJFHSA-N 1 3 358.530 2.807 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000514662086 516987168 /nfs/dbraw/zinc/98/71/68/516987168.db2.gz FQNWSAGUKCKVNO-OAQYLSRUSA-N 1 3 358.530 2.648 20 0 FFADHO OCCC1CCN(Cc2cccc(C[NH+]3CCC(CCO)CC3)c2)CC1 ZINC000532552514 517031051 /nfs/dbraw/zinc/03/10/51/517031051.db2.gz VAPKEAODXMTCAI-UHFFFAOYSA-N 1 3 360.542 2.875 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000541572335 517118214 /nfs/dbraw/zinc/11/82/14/517118214.db2.gz FOYYGDSPDCVERP-BBWFWOEESA-N 1 3 353.551 2.501 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCN1 ZINC000529388621 517118975 /nfs/dbraw/zinc/11/89/75/517118975.db2.gz SENMBQWDUBQGMY-IAQYHMDHSA-N 1 3 359.301 2.599 20 0 FFADHO CN(C)C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000529390221 517120246 /nfs/dbraw/zinc/12/02/46/517120246.db2.gz XVFFBDPLKLSSNW-OAHLLOKOSA-N 1 3 373.328 2.990 20 0 FFADHO COc1cccc2cc([C@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)oc21 ZINC000537293668 517132022 /nfs/dbraw/zinc/13/20/22/517132022.db2.gz ZXXHLVKWIKQLOG-HOCLYGCPSA-N 1 3 359.470 2.679 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552251416 517162835 /nfs/dbraw/zinc/16/28/35/517162835.db2.gz WGWJFLJIIVDKCX-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552251416 517162844 /nfs/dbraw/zinc/16/28/44/517162844.db2.gz WGWJFLJIIVDKCX-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]1CN(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000552251416 517162849 /nfs/dbraw/zinc/16/28/49/517162849.db2.gz WGWJFLJIIVDKCX-YPIGPJMWSA-N 1 3 371.569 2.988 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N(C)CCC[NH+]2CCCC2)N(C)C)cc1 ZINC000537400088 517171156 /nfs/dbraw/zinc/17/11/56/517171156.db2.gz JIISDHOXMKENJL-FQEVSTJZSA-N 1 3 360.546 2.979 20 0 FFADHO O=C(C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)NCCN1CCCCCC1 ZINC000552278602 517174842 /nfs/dbraw/zinc/17/48/42/517174842.db2.gz HWRFDFOAFLBVHL-ICSRJNTNSA-N 1 3 358.530 2.690 20 0 FFADHO CC(C)c1ccccc1OC[C@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000515234535 517266181 /nfs/dbraw/zinc/26/61/81/517266181.db2.gz JFGVOJKISBXXMS-RBUKOAKNSA-N 1 3 364.530 2.640 20 0 FFADHO CC(C)c1ccccc1OC[C@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000515234535 517266186 /nfs/dbraw/zinc/26/61/86/517266186.db2.gz JFGVOJKISBXXMS-RBUKOAKNSA-N 1 3 364.530 2.640 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556128198 517279847 /nfs/dbraw/zinc/27/98/47/517279847.db2.gz ADEJDNDQWDULHO-MGPQQGTHSA-N 1 3 351.457 2.742 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000515291672 517283247 /nfs/dbraw/zinc/28/32/47/517283247.db2.gz DYZQTLVNVUIOEX-QGZVFWFLSA-N 1 3 364.559 2.868 20 0 FFADHO COc1ccc(C[C@H](C)C[NH2+]CCCCN2CCN(C)CC2)cc1F ZINC000545600437 517306771 /nfs/dbraw/zinc/30/67/71/517306771.db2.gz UNQYIGGMCUBMHY-KRWDZBQOSA-N 1 3 351.510 2.630 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccccc3CN3CCCCC3)C[C@@H]21 ZINC000562795343 517407348 /nfs/dbraw/zinc/40/73/48/517407348.db2.gz DOJMMEZVHWGDRL-QHAWAJNXSA-N 1 3 370.541 2.941 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC2=CC[NH2+]CC2)c2ccccc2)CC1 ZINC000562803407 517416132 /nfs/dbraw/zinc/41/61/32/517416132.db2.gz VWUQSAWXFVMRDP-HXUWFJFHSA-N 1 3 356.514 2.679 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000537962091 517418607 /nfs/dbraw/zinc/41/86/07/517418607.db2.gz KQLAJXKDHFESFR-JHVJFLLYSA-N 1 3 371.525 2.990 20 0 FFADHO CC[N@H+](CCC1CCN(CCn2nc3ccccn3c2=O)CC1)CC(C)C ZINC000537995370 517429418 /nfs/dbraw/zinc/42/94/18/517429418.db2.gz KEDCGBYIZLPNRL-UHFFFAOYSA-N 1 3 373.545 2.576 20 0 FFADHO CC[N@@H+](CCC1CCN(CCn2nc3ccccn3c2=O)CC1)CC(C)C ZINC000537995370 517429428 /nfs/dbraw/zinc/42/94/28/517429428.db2.gz KEDCGBYIZLPNRL-UHFFFAOYSA-N 1 3 373.545 2.576 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccc(CN(C)C)cc3)c2cc1C ZINC000549190421 517447165 /nfs/dbraw/zinc/44/71/65/517447165.db2.gz HQPDQFIZMHNBSF-FQEVSTJZSA-N 1 3 366.509 2.865 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000538100080 517465267 /nfs/dbraw/zinc/46/52/67/517465267.db2.gz KQCWZIOHYYAUOV-HXUWFJFHSA-N 1 3 365.949 2.771 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@H](C)N3[C@H](C)CC[C@@H]3C)CCCC2)CC1 ZINC000520770766 517508577 /nfs/dbraw/zinc/50/85/77/517508577.db2.gz QJBDEAPESCZKHA-KSZLIROESA-N 1 3 365.562 2.788 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562942499 517518517 /nfs/dbraw/zinc/51/85/17/517518517.db2.gz FOXSACJTYUDXCS-UHOSZYNNSA-N 1 3 362.562 2.765 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000562942499 517518524 /nfs/dbraw/zinc/51/85/24/517518524.db2.gz FOXSACJTYUDXCS-UHOSZYNNSA-N 1 3 362.562 2.765 20 0 FFADHO CC(C)(CNC[C@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000563002301 517573138 /nfs/dbraw/zinc/57/31/38/517573138.db2.gz GJSBTTYDCDSQRZ-SFHVURJKSA-N 1 3 354.922 2.929 20 0 FFADHO CC(C)(C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)CN1CCCC1 ZINC000563002301 517573145 /nfs/dbraw/zinc/57/31/45/517573145.db2.gz GJSBTTYDCDSQRZ-SFHVURJKSA-N 1 3 354.922 2.929 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc([C@H]3CCCO3)s2)C[C@H](C)O1 ZINC000533740669 517594111 /nfs/dbraw/zinc/59/41/11/517594111.db2.gz PJIKSPCBWPFYIU-HLLBOEOZSA-N 1 3 353.532 2.974 20 0 FFADHO C[NH+](C)CCOc1ccccc1N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000542507117 517601518 /nfs/dbraw/zinc/60/15/18/517601518.db2.gz JABMNKNBFBPQGB-IBGZPJMESA-N 1 3 361.530 2.708 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000516179775 517605903 /nfs/dbraw/zinc/60/59/03/517605903.db2.gz DCZBWDFBXPKMDR-HXUWFJFHSA-N 1 3 352.482 2.609 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521161966 517634069 /nfs/dbraw/zinc/63/40/69/517634069.db2.gz FBLAMESBOUIWMR-GUDVDZBRSA-N 1 3 352.567 2.918 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ncccc3F)CC2)CC1 ZINC000530232693 517640819 /nfs/dbraw/zinc/64/08/19/517640819.db2.gz CSDGAUCITUAVPY-HNNXBMFYSA-N 1 3 362.493 2.594 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553458757 517723387 /nfs/dbraw/zinc/72/33/87/517723387.db2.gz DPDCXWTWDIQOSW-KNKQGSTJSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553458757 517723392 /nfs/dbraw/zinc/72/33/92/517723392.db2.gz DPDCXWTWDIQOSW-KNKQGSTJSA-N 1 3 355.526 2.984 20 0 FFADHO CC1=CCN(CCNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000546591646 517744369 /nfs/dbraw/zinc/74/43/69/517744369.db2.gz IBFTXMMKIJNUES-UHFFFAOYSA-N 1 3 370.541 2.775 20 0 FFADHO CC1=CCN(CCNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000546591646 517744379 /nfs/dbraw/zinc/74/43/79/517744379.db2.gz IBFTXMMKIJNUES-UHFFFAOYSA-N 1 3 370.541 2.775 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCN3CCO[C@@H](C)C3)C2)s1 ZINC000563216164 517745683 /nfs/dbraw/zinc/74/56/83/517745683.db2.gz JESYGKJSUFYQLV-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCN3CCO[C@@H](C)C3)C2)s1 ZINC000563216164 517745692 /nfs/dbraw/zinc/74/56/92/517745692.db2.gz JESYGKJSUFYQLV-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCN3CCO[C@@H](C)C3)C2)s1 ZINC000563216164 517745704 /nfs/dbraw/zinc/74/57/04/517745704.db2.gz JESYGKJSUFYQLV-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCN3CCO[C@@H](C)C3)C2)s1 ZINC000563216164 517745715 /nfs/dbraw/zinc/74/57/15/517745715.db2.gz JESYGKJSUFYQLV-WMZOPIPTSA-N 1 3 351.560 2.531 20 0 FFADHO c1ccc(CN2C[C@H](C[NH2+]CC[C@@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000556936726 517758949 /nfs/dbraw/zinc/75/89/49/517758949.db2.gz QDADQJZMEOQCIB-RTWAWAEBSA-N 1 3 358.526 2.931 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(C)CC1 ZINC000521510578 517760141 /nfs/dbraw/zinc/76/01/41/517760141.db2.gz BLZHWMXDHPKIBD-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000556991068 517792697 /nfs/dbraw/zinc/79/26/97/517792697.db2.gz CUKOPAMXUCDYPQ-SFHVURJKSA-N 1 3 365.468 2.696 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000556991068 517792706 /nfs/dbraw/zinc/79/27/06/517792706.db2.gz CUKOPAMXUCDYPQ-SFHVURJKSA-N 1 3 365.468 2.696 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCCNC1 ZINC000516743531 517824913 /nfs/dbraw/zinc/82/49/13/517824913.db2.gz PQRXPECWGDPWOD-SWLSCSKDSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@H]1CCc2[nH]c3ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc3c2C1 ZINC000530641818 517895024 /nfs/dbraw/zinc/89/50/24/517895024.db2.gz QLOIEEZWIAORCB-INIZCTEOSA-N 1 3 370.541 2.858 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000539070532 517901541 /nfs/dbraw/zinc/90/15/41/517901541.db2.gz HCCDHYIBNUJQNQ-HXUWFJFHSA-N 1 3 355.457 2.894 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CN1C1CC1 ZINC000557189555 517907041 /nfs/dbraw/zinc/90/70/41/517907041.db2.gz MHKKXLPKEUZFPA-LXGCGDOSSA-N 1 3 352.482 2.764 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000553795636 517910361 /nfs/dbraw/zinc/91/03/61/517910361.db2.gz DCINPLWDJBWHAK-NQIIRXRSSA-N 1 3 359.489 2.592 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000553795636 517910366 /nfs/dbraw/zinc/91/03/66/517910366.db2.gz DCINPLWDJBWHAK-NQIIRXRSSA-N 1 3 359.489 2.592 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000534522228 517926408 /nfs/dbraw/zinc/92/64/08/517926408.db2.gz DTXZUIZXMGPTLG-OAQYLSRUSA-N 1 3 374.573 2.923 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000534526726 517929053 /nfs/dbraw/zinc/92/90/53/517929053.db2.gz GLCAAHZAXKUZJF-NRFANRHFSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000534526726 517929064 /nfs/dbraw/zinc/92/90/64/517929064.db2.gz GLCAAHZAXKUZJF-NRFANRHFSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNC[C@@H](O)C(F)(F)F)cc2)C[C@H]1C ZINC000521994533 517939258 /nfs/dbraw/zinc/93/92/58/517939258.db2.gz CBNNOIYOXPBSNN-IIDMSEBBSA-N 1 3 374.447 2.709 20 0 FFADHO O[C@@]1(CNCc2cc(-n3ccnc3)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000543251154 517990692 /nfs/dbraw/zinc/99/06/92/517990692.db2.gz XMVZSURBTHMKEC-HXUWFJFHSA-N 1 3 368.506 2.660 20 0 FFADHO O[C@@]1(CNCc2cc(-n3ccnc3)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000543251154 517990700 /nfs/dbraw/zinc/99/07/00/517990700.db2.gz XMVZSURBTHMKEC-HXUWFJFHSA-N 1 3 368.506 2.660 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1CN1CCCCC1 ZINC000527959894 518015213 /nfs/dbraw/zinc/01/52/13/518015213.db2.gz ZRDJNHVLRVIMJD-LRQRDZAKSA-N 1 3 362.514 2.872 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000531141247 518152438 /nfs/dbraw/zinc/15/24/38/518152438.db2.gz SWTDDQYSAAUODR-CEXWTWQISA-N 1 3 358.530 2.819 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C[C@H]1C ZINC000531141247 518152442 /nfs/dbraw/zinc/15/24/42/518152442.db2.gz SWTDDQYSAAUODR-CEXWTWQISA-N 1 3 358.530 2.819 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000528289727 518166309 /nfs/dbraw/zinc/16/63/09/518166309.db2.gz UGBSIITYHPKZTQ-HXUWFJFHSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000528289727 518166312 /nfs/dbraw/zinc/16/63/12/518166312.db2.gz UGBSIITYHPKZTQ-HXUWFJFHSA-N 1 3 358.530 2.954 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000572511683 518227239 /nfs/dbraw/zinc/22/72/39/518227239.db2.gz MEYUITGMQBACRN-BZUAXINKSA-N 1 3 360.420 2.908 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H](C)C1 ZINC000584233993 518241591 /nfs/dbraw/zinc/24/15/91/518241591.db2.gz NQNAOAMKAMRZGR-AABGKKOBSA-N 1 3 367.578 2.750 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H](C)C1 ZINC000584233993 518241594 /nfs/dbraw/zinc/24/15/94/518241594.db2.gz NQNAOAMKAMRZGR-AABGKKOBSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H]1CCc2nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)sc2C1 ZINC000581349107 518242139 /nfs/dbraw/zinc/24/21/39/518242139.db2.gz CFYNUYMFEHJCIM-CQSZACIVSA-N 1 3 367.563 2.615 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 ZINC000581380083 518257272 /nfs/dbraw/zinc/25/72/72/518257272.db2.gz HGNMGCPAKJSJIL-KZNAEPCWSA-N 1 3 371.447 2.938 20 0 FFADHO [NH3+]C[C@@H]1CN(Cc2ccc(OCc3ccccn3)cc2)CC12CCOCC2 ZINC000569723712 518258131 /nfs/dbraw/zinc/25/81/31/518258131.db2.gz MSZNYZYGQNVPDX-LJQANCHMSA-N 1 3 367.493 2.848 20 0 FFADHO C[C@H]1CCN[C@H](C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)C1 ZINC000569727289 518260268 /nfs/dbraw/zinc/26/02/68/518260268.db2.gz PRWMKIFCBOZAFI-LPHOPBHVSA-N 1 3 372.513 2.828 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3nc(C)cs3)CC2)CC1 ZINC000569739478 518265643 /nfs/dbraw/zinc/26/56/43/518265643.db2.gz NXJDXTOLKCEDJE-HNNXBMFYSA-N 1 3 364.559 2.825 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CC[C@H]1c1ccc(F)cc1 ZINC000581419038 518275503 /nfs/dbraw/zinc/27/55/03/518275503.db2.gz YBSSJGVJDZSAGS-HSALFYBXSA-N 1 3 374.504 2.669 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000572714090 518325359 /nfs/dbraw/zinc/32/53/59/518325359.db2.gz YGJGZDILQQBWSG-SJORKVTESA-N 1 3 352.544 2.860 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567108340 518355769 /nfs/dbraw/zinc/35/57/69/518355769.db2.gz JFUZZYURTRGNBE-APWZRJJASA-N 1 3 358.530 2.765 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567108340 518355772 /nfs/dbraw/zinc/35/57/72/518355772.db2.gz JFUZZYURTRGNBE-APWZRJJASA-N 1 3 358.530 2.765 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCOC(C)C)CC2)CC1 ZINC000578785347 518372816 /nfs/dbraw/zinc/37/28/16/518372816.db2.gz HLJIQBJAYGSEAM-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCCC[NH2+]C(C)C)N(C)C)cc1 ZINC000576015153 518387974 /nfs/dbraw/zinc/38/79/74/518387974.db2.gz QJSUBWMYAPXITN-KRWDZBQOSA-N 1 3 352.548 2.699 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(O)cc3)CC2)CC1 ZINC000567177244 518391826 /nfs/dbraw/zinc/39/18/26/518391826.db2.gz BLTONYWQSOANLC-UHFFFAOYSA-N 1 3 359.514 2.547 20 0 FFADHO CN1CCCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000576038656 518399579 /nfs/dbraw/zinc/39/95/79/518399579.db2.gz HOWWNZSNAJIOMT-JOCHJYFZSA-N 1 3 370.585 2.801 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000576048553 518402886 /nfs/dbraw/zinc/40/28/86/518402886.db2.gz RWSBYIATCSHFIL-CQSZACIVSA-N 1 3 355.324 2.522 20 0 FFADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000584585808 518411234 /nfs/dbraw/zinc/41/12/34/518411234.db2.gz YAXFDEJCAHZCIQ-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000584585808 518411240 /nfs/dbraw/zinc/41/12/40/518411240.db2.gz YAXFDEJCAHZCIQ-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000584585808 518411246 /nfs/dbraw/zinc/41/12/46/518411246.db2.gz YAXFDEJCAHZCIQ-FGZHOGPDSA-N 1 3 368.521 2.889 20 0 FFADHO COc1cc(F)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000570049163 518417906 /nfs/dbraw/zinc/41/79/06/518417906.db2.gz DTUYMFDUBVPTSJ-GASCZTMLSA-N 1 3 354.466 2.822 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000564430737 518449180 /nfs/dbraw/zinc/44/91/80/518449180.db2.gz OCMWCWJTMRBVLJ-SJORKVTESA-N 1 3 364.559 2.731 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000581933229 518508912 /nfs/dbraw/zinc/50/89/12/518508912.db2.gz AQEADBSPBKWYRX-PXNSSMCTSA-N 1 3 372.557 2.758 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000567469470 518540254 /nfs/dbraw/zinc/54/02/54/518540254.db2.gz DYMNZESULJPCAY-IRLDBZIGSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000567469470 518540260 /nfs/dbraw/zinc/54/02/60/518540260.db2.gz DYMNZESULJPCAY-IRLDBZIGSA-N 1 3 363.505 2.902 20 0 FFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cnc2ccsc2c1 ZINC000576389104 518567456 /nfs/dbraw/zinc/56/74/56/518567456.db2.gz ZKRNVIPLEROSJZ-FXHACXQTSA-N 1 3 358.511 2.594 20 0 FFADHO C[C@H](CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1)S(C)(=O)=O ZINC000582057332 518568721 /nfs/dbraw/zinc/56/87/21/518568721.db2.gz FJXLJCCUJUZQKU-MRXNPFEDSA-N 1 3 360.523 2.938 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582111352 518593632 /nfs/dbraw/zinc/59/36/32/518593632.db2.gz IKGWYWMEESATHT-CEWLAPEOSA-N 1 3 370.541 2.860 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2conc2C(C)(C)N)[C@@H]1c1cccs1 ZINC000573338349 518619700 /nfs/dbraw/zinc/61/97/00/518619700.db2.gz KVTHLUQKYTYQKC-SWLSCSKDSA-N 1 3 362.499 2.743 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)c2conc2C(C)(C)N)[C@@H]1c1cccs1 ZINC000573338349 518619707 /nfs/dbraw/zinc/61/97/07/518619707.db2.gz KVTHLUQKYTYQKC-SWLSCSKDSA-N 1 3 362.499 2.743 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000576537068 518641443 /nfs/dbraw/zinc/64/14/43/518641443.db2.gz VMULTVDLFKENBX-LJQANCHMSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000576537068 518641450 /nfs/dbraw/zinc/64/14/50/518641450.db2.gz VMULTVDLFKENBX-LJQANCHMSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000582232113 518651129 /nfs/dbraw/zinc/65/11/29/518651129.db2.gz HRGKWDDCEKJFKV-YYWHXJBOSA-N 1 3 373.541 2.560 20 0 FFADHO O=C(CC1CCCC1)NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000582306096 518689896 /nfs/dbraw/zinc/68/98/96/518689896.db2.gz ALNKBIFVLCSGRP-UHFFFAOYSA-N 1 3 355.526 2.993 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000579462943 518694183 /nfs/dbraw/zinc/69/41/83/518694183.db2.gz OJFDGSGYGVPTEQ-AEFFLSMTSA-N 1 3 371.447 2.931 20 0 FFADHO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000573551694 518721151 /nfs/dbraw/zinc/72/11/51/518721151.db2.gz KURLYNHFTJUVFC-RBUKOAKNSA-N 1 3 374.573 2.558 20 0 FFADHO O=C([C@H]1CNCc2ccccc21)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000570679497 518728272 /nfs/dbraw/zinc/72/82/72/518728272.db2.gz YZBVXJKHSRPSJH-NRFANRHFSA-N 1 3 355.526 2.988 20 0 FFADHO O=C([C@H]1CNCc2ccccc21)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000570679497 518728279 /nfs/dbraw/zinc/72/82/79/518728279.db2.gz YZBVXJKHSRPSJH-NRFANRHFSA-N 1 3 355.526 2.988 20 0 FFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccc(F)c(Cl)c1 ZINC000564989581 518731463 /nfs/dbraw/zinc/73/14/63/518731463.db2.gz RSYMUIDLKBJHMA-QWQRMKEZSA-N 1 3 365.880 2.906 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)CN3CCOCC3)C2)s1 ZINC000567994535 518821153 /nfs/dbraw/zinc/82/11/53/518821153.db2.gz OWMALSXSYRQYII-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)CN3CCOCC3)C2)s1 ZINC000567994535 518821158 /nfs/dbraw/zinc/82/11/58/518821158.db2.gz OWMALSXSYRQYII-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000576967952 518853436 /nfs/dbraw/zinc/85/34/36/518853436.db2.gz HRWUYOSCXOWRPK-NRSPTQNISA-N 1 3 358.526 2.930 20 0 FFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000565337213 518903827 /nfs/dbraw/zinc/90/38/27/518903827.db2.gz QBCQJSXRGIWQEJ-QGZVFWFLSA-N 1 3 361.534 2.718 20 0 FFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000565337213 518903832 /nfs/dbraw/zinc/90/38/32/518903832.db2.gz QBCQJSXRGIWQEJ-QGZVFWFLSA-N 1 3 361.534 2.718 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000582784309 518922594 /nfs/dbraw/zinc/92/25/94/518922594.db2.gz FRTKYRZYJIBAIP-SOLBZPMBSA-N 1 3 355.486 2.560 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)c3cccnc3)CC2)CC1 ZINC000571104286 518927095 /nfs/dbraw/zinc/92/70/95/518927095.db2.gz QUOLMJZHBXCQEP-UHFFFAOYSA-N 1 3 372.557 2.672 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H](C)O ZINC000579946946 518933424 /nfs/dbraw/zinc/93/34/24/518933424.db2.gz ISOORTVRBFDJDY-CVEARBPZSA-N 1 3 373.463 2.967 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000577176490 518949778 /nfs/dbraw/zinc/94/97/78/518949778.db2.gz TYKGSTCEUQVGOY-UHOSZYNNSA-N 1 3 367.497 2.575 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C1 ZINC000568368930 519004889 /nfs/dbraw/zinc/00/48/89/519004889.db2.gz SNVSSKGENJCKLY-CEMLEFRQSA-N 1 3 374.525 2.963 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCO[C@@H](C(C)C)C3)CC2)CC1 ZINC000580092268 519004940 /nfs/dbraw/zinc/00/49/40/519004940.db2.gz ARBVAEDPTROJEW-AZUAARDMSA-N 1 3 365.562 2.503 20 0 FFADHO CN(CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)Cc1ccccc1 ZINC000574176139 519025084 /nfs/dbraw/zinc/02/50/84/519025084.db2.gz VHUAJSCLLSKXNL-UHFFFAOYSA-N 1 3 356.445 2.725 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000583019442 519038337 /nfs/dbraw/zinc/03/83/37/519038337.db2.gz CADBCRRLXLYWOF-LSDHHAIUSA-N 1 3 360.420 2.767 20 0 FFADHO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccncc1OCCN(C)C ZINC000577418727 519070862 /nfs/dbraw/zinc/07/08/62/519070862.db2.gz HXTGDGXDTAIKGP-INIZCTEOSA-N 1 3 371.481 2.862 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000571528289 519141676 /nfs/dbraw/zinc/14/16/76/519141676.db2.gz WWQCTCOUDMRUGA-UGKGYDQZSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000571528289 519141685 /nfs/dbraw/zinc/14/16/85/519141685.db2.gz WWQCTCOUDMRUGA-UGKGYDQZSA-N 1 3 370.541 2.967 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)CC[C@@H]21 ZINC000571626427 519188721 /nfs/dbraw/zinc/18/87/21/519188721.db2.gz WHYNBIQQXFWFEF-NJYVYQBISA-N 1 3 366.509 2.965 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN)c3ccc4ccccc4c3)CC[C@@H]21 ZINC000571626427 519188730 /nfs/dbraw/zinc/18/87/30/519188730.db2.gz WHYNBIQQXFWFEF-NJYVYQBISA-N 1 3 366.509 2.965 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000571777045 519270184 /nfs/dbraw/zinc/27/01/84/519270184.db2.gz XMCPGDCZISGWNP-XLIONFOSSA-N 1 3 358.530 2.541 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000571777045 519270193 /nfs/dbraw/zinc/27/01/93/519270193.db2.gz XMCPGDCZISGWNP-XLIONFOSSA-N 1 3 358.530 2.541 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCN(C2CC2)C1 ZINC000580632782 519274916 /nfs/dbraw/zinc/27/49/16/519274916.db2.gz AQVMVBYXDZSPOA-IERDGZPVSA-N 1 3 366.509 2.965 20 0 FFADHO C[C@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000577841696 519283554 /nfs/dbraw/zinc/28/35/54/519283554.db2.gz HJTXJQIERZDGHB-DOTOQJQBSA-N 1 3 364.559 2.586 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C1 ZINC000571890620 519332968 /nfs/dbraw/zinc/33/29/68/519332968.db2.gz SGVBUDJZRHVPRC-MOPGFXCFSA-N 1 3 358.461 2.934 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCN1Cc1ccccc1 ZINC000571951144 519361092 /nfs/dbraw/zinc/36/10/92/519361092.db2.gz HVGCDIXEZJEWCO-GFOJFJKKSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCN1Cc1ccccc1 ZINC000571951144 519361095 /nfs/dbraw/zinc/36/10/95/519361095.db2.gz HVGCDIXEZJEWCO-GFOJFJKKSA-N 1 3 370.541 2.775 20 0 FFADHO Cc1nc(-c2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2)oc1C ZINC000590798397 519376890 /nfs/dbraw/zinc/37/68/90/519376890.db2.gz LJROWPFLKLVHFF-UHFFFAOYSA-N 1 3 373.501 2.916 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccccc3Br)C[C@H]21 ZINC000566244458 519390902 /nfs/dbraw/zinc/39/09/02/519390902.db2.gz WEWQHLPUJCVIFL-GZBFAFLISA-N 1 3 366.303 2.837 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580882627 519407339 /nfs/dbraw/zinc/40/73/39/519407339.db2.gz GCHAJKUJAWXGKB-UMSONDCASA-N 1 3 370.541 2.584 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578126478 519431567 /nfs/dbraw/zinc/43/15/67/519431567.db2.gz IBZKZQAYIKSRDX-UZLBHIALSA-N 1 3 354.498 2.894 20 0 FFADHO Cc1ccc(C(=O)NCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000581006089 519473324 /nfs/dbraw/zinc/47/33/24/519473324.db2.gz ZTJDKVWEQZWNJF-UGKGYDQZSA-N 1 3 365.477 2.570 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)NCc2ccc(C[NH3+])cc2)cc1 ZINC000569341318 519501324 /nfs/dbraw/zinc/50/13/24/519501324.db2.gz PAKUCMFFNODOEC-FQEVSTJZSA-N 1 3 351.454 2.667 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000566468436 519509977 /nfs/dbraw/zinc/50/99/77/519509977.db2.gz BBNXZGLHINPCOJ-INIZCTEOSA-N 1 3 357.489 2.734 20 0 FFADHO CC(C)[C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)[NH+]1CCCCC1 ZINC000591132093 519525230 /nfs/dbraw/zinc/52/52/30/519525230.db2.gz BQKXXFFQFNFFMF-SFHVURJKSA-N 1 3 367.603 2.975 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2C1 ZINC000572291348 519540155 /nfs/dbraw/zinc/54/01/55/519540155.db2.gz KGVSUZOUUIXAIY-LJQANCHMSA-N 1 3 364.493 2.748 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[NH2+]CC3(C)C)c(C)c2)CC1 ZINC000572344197 519566258 /nfs/dbraw/zinc/56/62/58/519566258.db2.gz JYTJGGTXIDZWAR-IBGZPJMESA-N 1 3 373.545 2.647 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591282620 519573905 /nfs/dbraw/zinc/57/39/05/519573905.db2.gz GPWMOLGOOWIJDJ-CQSZACIVSA-N 1 3 358.438 2.992 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000584160496 519618824 /nfs/dbraw/zinc/61/88/24/519618824.db2.gz PSZGFCKUOSZLGW-PZJWPPBQSA-N 1 3 354.498 2.899 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000591408773 519619275 /nfs/dbraw/zinc/61/92/75/519619275.db2.gz IDDPLZAHBNHVNB-HKUYNNGSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000591408773 519619279 /nfs/dbraw/zinc/61/92/79/519619279.db2.gz IDDPLZAHBNHVNB-HKUYNNGSSA-N 1 3 358.530 2.996 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566725811 519624250 /nfs/dbraw/zinc/62/42/50/519624250.db2.gz IMGZSIQNRDAQQF-SJORKVTESA-N 1 3 360.502 2.610 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000594970866 520234127 /nfs/dbraw/zinc/23/41/27/520234127.db2.gz MAYHLACZAAPOSR-HXUWFJFHSA-N 1 3 370.541 2.607 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCc2ccccc2C1 ZINC000594970866 520234137 /nfs/dbraw/zinc/23/41/37/520234137.db2.gz MAYHLACZAAPOSR-HXUWFJFHSA-N 1 3 370.541 2.607 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000604205272 520487928 /nfs/dbraw/zinc/48/79/28/520487928.db2.gz KSFJSQIMHOBTAT-FQEVSTJZSA-N 1 3 370.541 2.573 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000604205272 520487935 /nfs/dbraw/zinc/48/79/35/520487935.db2.gz KSFJSQIMHOBTAT-FQEVSTJZSA-N 1 3 370.541 2.573 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1OCCc2ccccc21 ZINC000604322301 520520037 /nfs/dbraw/zinc/52/00/37/520520037.db2.gz YJWRJKXWDDZDQI-PZJWPPBQSA-N 1 3 373.541 2.565 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1OCCc2ccccc21 ZINC000604322301 520520041 /nfs/dbraw/zinc/52/00/41/520520041.db2.gz YJWRJKXWDDZDQI-PZJWPPBQSA-N 1 3 373.541 2.565 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000617507464 520546614 /nfs/dbraw/zinc/54/66/14/520546614.db2.gz XMRWUVUUYOUUGZ-NWANDNLSSA-N 1 3 371.447 2.596 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000617507464 520546619 /nfs/dbraw/zinc/54/66/19/520546619.db2.gz XMRWUVUUYOUUGZ-NWANDNLSSA-N 1 3 371.447 2.596 20 0 FFADHO CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000617929858 520785539 /nfs/dbraw/zinc/78/55/39/520785539.db2.gz RSPWHVWRIQRWKS-NRFANRHFSA-N 1 3 372.557 2.532 20 0 FFADHO CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617929858 520785543 /nfs/dbraw/zinc/78/55/43/520785543.db2.gz RSPWHVWRIQRWKS-NRFANRHFSA-N 1 3 372.557 2.532 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000605371755 520848466 /nfs/dbraw/zinc/84/84/66/520848466.db2.gz BQRSITPITDJETA-FQEVSTJZSA-N 1 3 372.557 2.821 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000605988645 520988170 /nfs/dbraw/zinc/98/81/70/520988170.db2.gz PSBXKZDCHTYYOY-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO COC(=O)CC1CCC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000599029122 520989502 /nfs/dbraw/zinc/98/95/02/520989502.db2.gz ZLFNOARHLQPTDZ-UHFFFAOYSA-N 1 3 374.525 2.855 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601973627 521048286 /nfs/dbraw/zinc/04/82/86/521048286.db2.gz RXKBECIKDIFIMK-YOEHRIQHSA-N 1 3 361.486 2.558 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606411704 521053784 /nfs/dbraw/zinc/05/37/84/521053784.db2.gz VFICYFPVRXOJQJ-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606411704 521053790 /nfs/dbraw/zinc/05/37/90/521053790.db2.gz VFICYFPVRXOJQJ-FQEVSTJZSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000606642879 521119623 /nfs/dbraw/zinc/11/96/23/521119623.db2.gz DHTMNBQCNQFTOX-QGZVFWFLSA-N 1 3 372.557 2.853 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@]3(C)CC3(F)F)CC2)CC1 ZINC000618636469 521155724 /nfs/dbraw/zinc/15/57/24/521155724.db2.gz SXXPVSMLURUZMO-GOSISDBHSA-N 1 3 357.489 2.734 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000618659389 521170270 /nfs/dbraw/zinc/17/02/70/521170270.db2.gz HVHBRNHDKPYKQE-UXHICEINSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000618659389 521170274 /nfs/dbraw/zinc/17/02/74/521170274.db2.gz HVHBRNHDKPYKQE-UXHICEINSA-N 1 3 370.541 2.817 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cnccc2C(F)(F)F)CC[NH2+]CC1 ZINC000596654134 521192941 /nfs/dbraw/zinc/19/29/41/521192941.db2.gz GMAKWOZJEGCVPD-GFCCVEGCSA-N 1 3 359.392 2.511 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCc4ccccc4)C3)C2)C1 ZINC000615356121 521380747 /nfs/dbraw/zinc/38/07/47/521380747.db2.gz LNXZOBMPBZPPPJ-GMAHTHKFSA-N 1 3 369.553 2.885 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)C2)C1 ZINC000615356121 521380754 /nfs/dbraw/zinc/38/07/54/521380754.db2.gz LNXZOBMPBZPPPJ-GMAHTHKFSA-N 1 3 369.553 2.885 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000602546409 521406121 /nfs/dbraw/zinc/40/61/21/521406121.db2.gz RTHGSSCTWBZELG-RHSMWYFYSA-N 1 3 354.516 2.761 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000612303618 521568310 /nfs/dbraw/zinc/56/83/10/521568310.db2.gz JJXOFHOJOMYUEP-SLYNCCJLSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000612303618 521568319 /nfs/dbraw/zinc/56/83/19/521568319.db2.gz JJXOFHOJOMYUEP-SLYNCCJLSA-N 1 3 355.526 2.540 20 0 FFADHO C[C@H]1CCC[C@@](CNC(=O)c2ccccc2OCCN(C)C)([NH+](C)C)C1 ZINC000620206734 522118568 /nfs/dbraw/zinc/11/85/68/522118568.db2.gz MWZVNMMHXBWQHA-LAUBAEHRSA-N 1 3 361.530 2.867 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1CCN1C1CCCC1 ZINC000623599984 522150635 /nfs/dbraw/zinc/15/06/35/522150635.db2.gz XDBAHIULEWMIDJ-LJQANCHMSA-N 1 3 350.551 2.959 20 0 FFADHO CC1CC[NH+](CCC[C@H](NC[C@@H]2COCCN2)c2ccc(F)cc2)CC1 ZINC000629537252 522302180 /nfs/dbraw/zinc/30/21/80/522302180.db2.gz NAPBCURBIZKBHX-RTWAWAEBSA-N 1 3 363.521 2.957 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843767 522322727 /nfs/dbraw/zinc/32/27/27/522322727.db2.gz WHDMKRYOTANOPG-HKUYNNGSSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843767 522322737 /nfs/dbraw/zinc/32/27/37/522322737.db2.gz WHDMKRYOTANOPG-HKUYNNGSSA-N 1 3 370.541 2.681 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccn4cc(C)nc4c3)CC2)CC1 ZINC000620651557 522335675 /nfs/dbraw/zinc/33/56/75/522335675.db2.gz QBNVOQCPYLDELP-UHFFFAOYSA-N 1 3 369.513 2.778 20 0 FFADHO COC[C@H](C)N(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000629590337 522336727 /nfs/dbraw/zinc/33/67/27/522336727.db2.gz VALLHUMTAIAETC-ZMVGRULKSA-N 1 3 368.521 2.942 20 0 FFADHO COC[C@H](C)[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000629590337 522336735 /nfs/dbraw/zinc/33/67/35/522336735.db2.gz VALLHUMTAIAETC-ZMVGRULKSA-N 1 3 368.521 2.942 20 0 FFADHO COC[C@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000629590337 522336740 /nfs/dbraw/zinc/33/67/40/522336740.db2.gz VALLHUMTAIAETC-ZMVGRULKSA-N 1 3 368.521 2.942 20 0 FFADHO CN(CC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C1CCC1 ZINC000629948359 522540008 /nfs/dbraw/zinc/54/00/08/522540008.db2.gz YZDBETLTJPYBGS-GOSISDBHSA-N 1 3 357.498 2.575 20 0 FFADHO C[C@@H](NCc1ccc2oc(=O)n(C)c2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000624203145 522540212 /nfs/dbraw/zinc/54/02/12/522540212.db2.gz WCWRUBILJFFUMF-OAHLLOKOSA-N 1 3 369.465 2.923 20 0 FFADHO CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000621010799 522578317 /nfs/dbraw/zinc/57/83/17/522578317.db2.gz KOWVROPITYHLLW-QGZVFWFLSA-N 1 3 352.910 2.507 20 0 FFADHO CN1CCC(Oc2ccc(CNC(=O)C34CCC[NH+](CCC3)C4)cc2)CC1 ZINC000635909386 522620363 /nfs/dbraw/zinc/62/03/63/522620363.db2.gz YMJXPUKYPXWCGC-UHFFFAOYSA-N 1 3 371.525 2.652 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C[NH2+]1 ZINC000627194160 522707791 /nfs/dbraw/zinc/70/77/91/522707791.db2.gz CPNKMIJIYIKZOF-RHSMWYFYSA-N 1 3 352.910 2.554 20 0 FFADHO C[NH+]1CCC(N2CCC(Nc3ncccc3Br)CC2)CC1 ZINC000621259057 522728396 /nfs/dbraw/zinc/72/83/96/522728396.db2.gz IITADEGVADYBRP-UHFFFAOYSA-N 1 3 353.308 2.815 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000624613217 522818311 /nfs/dbraw/zinc/81/83/11/522818311.db2.gz OJDHDWXQVQBQMQ-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000624613217 522818316 /nfs/dbraw/zinc/81/83/16/522818316.db2.gz OJDHDWXQVQBQMQ-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)Cc1ccco1 ZINC000624786484 522924527 /nfs/dbraw/zinc/92/45/27/522924527.db2.gz GCHYUAYCBAKEOB-SFHVURJKSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)Cc1ccco1 ZINC000624786484 522924546 /nfs/dbraw/zinc/92/45/46/522924546.db2.gz GCHYUAYCBAKEOB-SFHVURJKSA-N 1 3 362.518 2.760 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc4[nH]ccc43)CC2)CC1 ZINC000636366050 522948673 /nfs/dbraw/zinc/94/86/73/522948673.db2.gz SRWFFDQLUCVGCW-UHFFFAOYSA-N 1 3 368.525 2.980 20 0 FFADHO CCN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCN(C)CC1 ZINC000627616630 522962669 /nfs/dbraw/zinc/96/26/69/522962669.db2.gz XRCIVJAJWIGBFY-HXUWFJFHSA-N 1 3 357.542 2.884 20 0 FFADHO CCN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCN(C)CC1 ZINC000627616630 522962680 /nfs/dbraw/zinc/96/26/80/522962680.db2.gz XRCIVJAJWIGBFY-HXUWFJFHSA-N 1 3 357.542 2.884 20 0 FFADHO CN1CCC(n2cc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cn2)CC1 ZINC000636800086 523219539 /nfs/dbraw/zinc/21/95/39/523219539.db2.gz MLQAALWOMPVONO-KRWDZBQOSA-N 1 3 364.538 2.638 20 0 FFADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044694 523234904 /nfs/dbraw/zinc/23/49/04/523234904.db2.gz PRZKEEOIOCSKOJ-HRAATJIYSA-N 1 3 367.493 2.695 20 0 FFADHO CC1CC[NH+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631042000 523327241 /nfs/dbraw/zinc/32/72/41/523327241.db2.gz FCYBIMVZQJYOLP-UHFFFAOYSA-N 1 3 373.950 2.589 20 0 FFADHO CC(=O)Nc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000631162782 523428324 /nfs/dbraw/zinc/42/83/24/523428324.db2.gz GQWASNRUUZNAJQ-UHFFFAOYSA-N 1 3 367.493 2.762 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3CC3CCC3)CC2)CC1 ZINC000634468385 523428677 /nfs/dbraw/zinc/42/86/77/523428677.db2.gz PTVIVBFITSGGOX-UHFFFAOYSA-N 1 3 373.545 2.818 20 0 FFADHO OC1(CNCc2ccnn2CC2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000631163358 523429518 /nfs/dbraw/zinc/42/95/18/523429518.db2.gz MRKWUNDYSIRFMD-UHFFFAOYSA-N 1 3 368.525 2.800 20 0 FFADHO CN(C)[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000634637354 523538748 /nfs/dbraw/zinc/53/87/48/523538748.db2.gz TUFBMFYLXVAYPX-UYAOXDASSA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000634637354 523538758 /nfs/dbraw/zinc/53/87/58/523538758.db2.gz TUFBMFYLXVAYPX-UYAOXDASSA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@H](C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccs1 ZINC000634637354 523538766 /nfs/dbraw/zinc/53/87/66/523538766.db2.gz TUFBMFYLXVAYPX-UYAOXDASSA-N 1 3 359.539 2.577 20 0 FFADHO CN(C)[C@H](C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccsc1 ZINC000634640782 523543109 /nfs/dbraw/zinc/54/31/09/523543109.db2.gz HAGQKOLGSIDLGG-WOJBJXKFSA-N 1 3 359.539 2.577 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000637607347 523733304 /nfs/dbraw/zinc/73/33/04/523733304.db2.gz QKJYIDWLDGVCSM-ZFMNYDKASA-N 1 3 372.557 2.736 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000637607347 523733307 /nfs/dbraw/zinc/73/33/07/523733307.db2.gz QKJYIDWLDGVCSM-ZFMNYDKASA-N 1 3 372.557 2.736 20 0 FFADHO c1ccc(-c2nnn[n-]2)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000826519844 607750882 /nfs/dbraw/zinc/75/08/82/607750882.db2.gz QQJZZPZPRCCBOS-UHFFFAOYSA-N 1 3 354.502 2.955 20 0 FFADHO c1ccc(-c2nn[n-]n2)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000826519844 607750883 /nfs/dbraw/zinc/75/08/83/607750883.db2.gz QQJZZPZPRCCBOS-UHFFFAOYSA-N 1 3 354.502 2.955 20 0 FFADHO c1sc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000823781035 606214717 /nfs/dbraw/zinc/21/47/17/606214717.db2.gz ZFYYCDLCPUDAFX-UHFFFAOYSA-N 1 3 368.510 2.930 20 0 FFADHO c1sc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000823781035 606214719 /nfs/dbraw/zinc/21/47/19/606214719.db2.gz ZFYYCDLCPUDAFX-UHFFFAOYSA-N 1 3 368.510 2.930 20 0 FFADHO C[N@H+](Cc1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1)C1CC1 ZINC001164731682 720454930 /nfs/dbraw/zinc/45/49/30/720454930.db2.gz MCSISWBWFIZJCQ-LEWJYISDSA-N 1 3 363.509 2.924 20 0 FFADHO C[N@@H+](Cc1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1)C1CC1 ZINC001164731682 720454940 /nfs/dbraw/zinc/45/49/40/720454940.db2.gz MCSISWBWFIZJCQ-LEWJYISDSA-N 1 3 363.509 2.924 20 0 FFADHO C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)C1CC[NH+](C)CC1 ZINC000155119880 728820841 /nfs/dbraw/zinc/82/08/41/728820841.db2.gz PXHMYJKFMJPSPG-OAHLLOKOSA-N 1 3 367.559 2.583 20 0 FFADHO [NH3+]C1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCCC1 ZINC000178805293 729170514 /nfs/dbraw/zinc/17/05/14/729170514.db2.gz FGALHMAYSVAKDM-UHFFFAOYSA-N 1 3 365.905 2.571 20 0 FFADHO C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])CN1CC[NH+](C)CC1 ZINC000185344506 729347327 /nfs/dbraw/zinc/34/73/27/729347327.db2.gz COAIRKADYWUOEN-ZIAGYGMSSA-N 1 3 370.335 2.689 20 0 FFADHO CCCOc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1OC ZINC000638355556 730022703 /nfs/dbraw/zinc/02/27/03/730022703.db2.gz JWPAPGSDFWDRDB-UHFFFAOYSA-N 1 3 350.503 2.809 20 0 FFADHO CSCCCCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858928754 730436988 /nfs/dbraw/zinc/43/69/88/730436988.db2.gz XYXXQVWDJLYDSK-UHFFFAOYSA-N 1 3 355.592 2.975 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859152107 730443467 /nfs/dbraw/zinc/44/34/67/730443467.db2.gz KRUUYEKCHYEJHU-KRWDZBQOSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859152107 730443468 /nfs/dbraw/zinc/44/34/68/730443468.db2.gz KRUUYEKCHYEJHU-KRWDZBQOSA-N 1 3 351.535 2.907 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Br)n1 ZINC000925023036 738471685 /nfs/dbraw/zinc/47/16/85/738471685.db2.gz JLNSFDVTMRHCGU-ZIAGYGMSSA-N 1 3 356.308 2.732 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Br)n1 ZINC000925023036 738471687 /nfs/dbraw/zinc/47/16/87/738471687.db2.gz JLNSFDVTMRHCGU-ZIAGYGMSSA-N 1 3 356.308 2.732 20 0 FFADHO CCCN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCN(C)C1 ZINC000925056247 738474912 /nfs/dbraw/zinc/47/49/12/738474912.db2.gz DWGATFHXPKBIFN-QPIRBTGLSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645489813 730562511 /nfs/dbraw/zinc/56/25/11/730562511.db2.gz NTMSJPDMNSFQKS-RTBURBONSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645489813 730562513 /nfs/dbraw/zinc/56/25/13/730562513.db2.gz NTMSJPDMNSFQKS-RTBURBONSA-N 1 3 350.551 2.909 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000862273502 730684588 /nfs/dbraw/zinc/68/45/88/730684588.db2.gz IJIDOGQORXZFOK-RRFJBIMHSA-N 1 3 359.461 2.848 20 0 FFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000862273502 730684590 /nfs/dbraw/zinc/68/45/90/730684590.db2.gz IJIDOGQORXZFOK-RRFJBIMHSA-N 1 3 359.461 2.848 20 0 FFADHO O=C(NCCC1CC[NH2+]CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000652119695 731167771 /nfs/dbraw/zinc/16/77/71/731167771.db2.gz UJXXTEKOORZHJJ-INIZCTEOSA-N 1 3 350.532 2.574 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000652196119 731174731 /nfs/dbraw/zinc/17/47/31/731174731.db2.gz IJNFMKUCVADILU-GOSISDBHSA-N 1 3 364.559 2.700 20 0 FFADHO C[C@H](N)[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1 ZINC000925491409 738510459 /nfs/dbraw/zinc/51/04/59/738510459.db2.gz CMIARIMXYQDZOE-HQRMLTQVSA-N 1 3 358.555 2.715 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000868164789 731265907 /nfs/dbraw/zinc/26/59/07/731265907.db2.gz TWHYVOCSKULJBX-XBXGTLAGSA-N 1 3 366.893 2.672 20 0 FFADHO C[C@H]1CCCN(C(=O)C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873207431 731890814 /nfs/dbraw/zinc/89/08/14/731890814.db2.gz BSBJBJUPOJUHLU-HNNXBMFYSA-N 1 3 361.555 2.864 20 0 FFADHO COc1cc(F)c([C@@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1OC ZINC000873292224 731897805 /nfs/dbraw/zinc/89/78/05/731897805.db2.gz PNISPKUEYSZNQR-ZIAGYGMSSA-N 1 3 352.450 2.652 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])c1ccsc1 ZINC000659435318 731975554 /nfs/dbraw/zinc/97/55/54/731975554.db2.gz XSKRWQICKNLBRC-PVAVHDDUSA-N 1 3 352.548 2.900 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659490080 731981901 /nfs/dbraw/zinc/98/19/01/731981901.db2.gz OANINZVONLGPBH-ROUUACIJSA-N 1 3 350.551 2.528 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000876723891 732272758 /nfs/dbraw/zinc/27/27/58/732272758.db2.gz ZODWRVZIYIASHB-KGLIPLIRSA-N 1 3 364.559 2.769 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000876723890 732272871 /nfs/dbraw/zinc/27/28/71/732272871.db2.gz ZODWRVZIYIASHB-KBPBESRZSA-N 1 3 364.559 2.769 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000876739216 732274618 /nfs/dbraw/zinc/27/46/18/732274618.db2.gz BLQZGFARRMHOCR-MRXNPFEDSA-N 1 3 362.543 2.619 20 0 FFADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000876743839 732275482 /nfs/dbraw/zinc/27/54/82/732275482.db2.gz NJQMASITUHWFKR-MTIYJEKLSA-N 1 3 359.539 2.772 20 0 FFADHO FC(F)(F)c1csc([C@@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662278905 732291995 /nfs/dbraw/zinc/29/19/95/732291995.db2.gz NQVPJALQFFVRTL-VXGBXAGGSA-N 1 3 361.433 2.862 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCCc3cccc(C[NH3+])c32)cc(Cl)n1 ZINC000877015110 732311818 /nfs/dbraw/zinc/31/18/18/732311818.db2.gz FVFIIMPZRSEJCT-INIZCTEOSA-N 1 3 358.873 2.871 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877016110 732312414 /nfs/dbraw/zinc/31/24/14/732312414.db2.gz IAYAQULERHOQGJ-AWEZNQCLSA-N 1 3 350.894 2.844 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662479770 732321584 /nfs/dbraw/zinc/32/15/84/732321584.db2.gz MNQKEIYIANHHGI-KRWDZBQOSA-N 1 3 355.507 2.740 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662479770 732321590 /nfs/dbraw/zinc/32/15/90/732321590.db2.gz MNQKEIYIANHHGI-KRWDZBQOSA-N 1 3 355.507 2.740 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)N(C)C)cc1 ZINC000662663677 732344456 /nfs/dbraw/zinc/34/44/56/732344456.db2.gz OYRHLSGBWYHQLQ-RDJZCZTQSA-N 1 3 357.420 2.510 20 0 FFADHO COC[C@@H](C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)OC ZINC000781426735 738627040 /nfs/dbraw/zinc/62/70/40/738627040.db2.gz MHFPDRDYZYEIIC-VQIMIIECSA-N 1 3 350.503 2.993 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccco1 ZINC000664874401 732642456 /nfs/dbraw/zinc/64/24/56/732642456.db2.gz JQCAZRGDJMKZFP-ARFHVFGLSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccco1 ZINC000664874401 732642461 /nfs/dbraw/zinc/64/24/61/732642461.db2.gz JQCAZRGDJMKZFP-ARFHVFGLSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CCC[NH2+]CC1 ZINC000666857666 732909344 /nfs/dbraw/zinc/90/93/44/732909344.db2.gz DJBYJIMLDDNGEW-JSGCOSHPSA-N 1 3 354.292 2.898 20 0 FFADHO CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000666872363 732910618 /nfs/dbraw/zinc/91/06/18/732910618.db2.gz XJRXQOKAAFOWCX-LSDHHAIUSA-N 1 3 352.527 2.556 20 0 FFADHO CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000666872363 732910623 /nfs/dbraw/zinc/91/06/23/732910623.db2.gz XJRXQOKAAFOWCX-LSDHHAIUSA-N 1 3 352.527 2.556 20 0 FFADHO COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Cl ZINC000666940197 732920978 /nfs/dbraw/zinc/92/09/78/732920978.db2.gz RXBLWGLTHFUGCL-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Cl ZINC000666940197 732920981 /nfs/dbraw/zinc/92/09/81/732920981.db2.gz RXBLWGLTHFUGCL-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccccn4)s3)CC2)C1 ZINC000667054048 732937481 /nfs/dbraw/zinc/93/74/81/732937481.db2.gz BNTLLGSBVUWYFH-QAPCUYQASA-N 1 3 358.511 2.923 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000668644683 733148634 /nfs/dbraw/zinc/14/86/34/733148634.db2.gz HEDDXVJEKMIMQB-JKSUJKDBSA-N 1 3 350.532 2.511 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000668644681 733148838 /nfs/dbraw/zinc/14/88/38/733148838.db2.gz HEDDXVJEKMIMQB-HOTGVXAUSA-N 1 3 350.532 2.511 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[C@@H]1[NH3+] ZINC000668661156 733150760 /nfs/dbraw/zinc/15/07/60/733150760.db2.gz QVRYLGYXMIKNIA-PMPSAXMXSA-N 1 3 350.532 2.654 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669573419 733248207 /nfs/dbraw/zinc/24/82/07/733248207.db2.gz IJJRSXVOACMZMT-KSZLIROESA-N 1 3 350.551 2.528 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000672942635 733572513 /nfs/dbraw/zinc/57/25/13/733572513.db2.gz JWSLJMBMNGTWLT-BBWFWOEESA-N 1 3 350.507 2.882 20 0 FFADHO CC1([NH+]2CCCC2)CCC(NCCS(=O)(=O)c2ccccc2)CC1 ZINC000886513242 733799629 /nfs/dbraw/zinc/79/96/29/733799629.db2.gz XCIIPHXHRLDOET-UHFFFAOYSA-N 1 3 350.528 2.847 20 0 FFADHO C[C@H]1C[C@@H](NCc2c(Cl)cccc2N2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000675920457 733821626 /nfs/dbraw/zinc/82/16/26/733821626.db2.gz RLAVSYSAFFBABO-JKSUJKDBSA-N 1 3 362.949 2.807 20 0 FFADHO C[C@H]1C[C@@H](NCc2c(Cl)cccc2N2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000675920457 733821629 /nfs/dbraw/zinc/82/16/29/733821629.db2.gz RLAVSYSAFFBABO-JKSUJKDBSA-N 1 3 362.949 2.807 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000727080355 734464077 /nfs/dbraw/zinc/46/40/77/734464077.db2.gz OTTIDJLWKGUJBR-AEFFLSMTSA-N 1 3 362.587 2.874 20 0 FFADHO CC[N@H+](CCC1CCN(C[C@H]2[C@@H](C(=O)OC)C2(F)F)CC1)CC1CC1 ZINC000894137669 734807514 /nfs/dbraw/zinc/80/75/14/734807514.db2.gz RSEXDGIRMUAGHJ-IRXDYDNUSA-N 1 3 358.473 2.875 20 0 FFADHO CC[N@@H+](CCC1CCN(C[C@H]2[C@@H](C(=O)OC)C2(F)F)CC1)CC1CC1 ZINC000894137669 734807518 /nfs/dbraw/zinc/80/75/18/734807518.db2.gz RSEXDGIRMUAGHJ-IRXDYDNUSA-N 1 3 358.473 2.875 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=S)NC2CCN(C)CC2)CC1 ZINC000734762429 734913726 /nfs/dbraw/zinc/91/37/26/734913726.db2.gz GJCLOEQIHTYORW-MRXNPFEDSA-N 1 3 360.571 2.770 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3C[C@]3(C)Br)CC2)CC1 ZINC000894978207 734947174 /nfs/dbraw/zinc/94/71/74/734947174.db2.gz MPRJOFWHJGUSGU-WBVHZDCISA-N 1 3 358.368 2.652 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@H]3C[C@]3(C)Br)CC2)CC1 ZINC000894978207 734947177 /nfs/dbraw/zinc/94/71/77/734947177.db2.gz MPRJOFWHJGUSGU-WBVHZDCISA-N 1 3 358.368 2.652 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000902389917 735941035 /nfs/dbraw/zinc/94/10/35/735941035.db2.gz ZLJJFZIGZXSCKY-OAHLLOKOSA-N 1 3 358.935 2.872 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000903426543 736092606 /nfs/dbraw/zinc/09/26/06/736092606.db2.gz YMDZLIGJVVJUQE-FHWLQOOXSA-N 1 3 363.527 2.553 20 0 FFADHO Clc1ccc(OC2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000903781141 736166157 /nfs/dbraw/zinc/16/61/57/736166157.db2.gz OVLGPLHCFCINBH-QGZVFWFLSA-N 1 3 365.905 2.737 20 0 FFADHO CO[C@H](c1ccccc1Cl)[C@@H](C)NC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909742 736187157 /nfs/dbraw/zinc/18/71/57/736187157.db2.gz YFLWWBXVDLPEIC-WTANOLMUSA-N 1 3 364.921 2.865 20 0 FFADHO CCc1ccc([C@@H](CNC(=S)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000760461631 736640984 /nfs/dbraw/zinc/64/09/84/736640984.db2.gz AYVIUXJAHKFERF-LJQANCHMSA-N 1 3 362.587 2.658 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@](C)(O)c2ccc(F)cc2)[C@H](C)C1 ZINC000773122256 737873182 /nfs/dbraw/zinc/87/31/82/737873182.db2.gz XADCISCFTVMOCH-LSTHTHJFSA-N 1 3 352.494 2.760 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@](C)(O)c2ccc(F)cc2)[C@H](C)C1 ZINC000773122256 737873187 /nfs/dbraw/zinc/87/31/87/737873187.db2.gz XADCISCFTVMOCH-LSTHTHJFSA-N 1 3 352.494 2.760 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc3c1OCC3)C2 ZINC000922386241 738134887 /nfs/dbraw/zinc/13/48/87/738134887.db2.gz FIFNFTUDWXFNKV-JYBIWHBTSA-N 1 3 364.917 2.844 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc3c1OCC3)C2 ZINC000922386241 738134891 /nfs/dbraw/zinc/13/48/91/738134891.db2.gz FIFNFTUDWXFNKV-JYBIWHBTSA-N 1 3 364.917 2.844 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000776169938 738167584 /nfs/dbraw/zinc/16/75/84/738167584.db2.gz FZNYJIFIQYQRTR-OTWHNJEPSA-N 1 3 354.535 2.789 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000776169938 738167585 /nfs/dbraw/zinc/16/75/85/738167585.db2.gz FZNYJIFIQYQRTR-OTWHNJEPSA-N 1 3 354.535 2.789 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)ccc1OC ZINC000786950702 739092170 /nfs/dbraw/zinc/09/21/70/739092170.db2.gz PLKVMTHMCSRKSC-HNNXBMFYSA-N 1 3 368.543 2.622 20 0 FFADHO CCc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(Cl)n1 ZINC000931217497 739228713 /nfs/dbraw/zinc/22/87/13/739228713.db2.gz RZENDGVIKRDYAT-UHFFFAOYSA-N 1 3 364.921 2.586 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](Cc3nccs3)C2)CC1 ZINC000932203252 739404210 /nfs/dbraw/zinc/40/42/10/739404210.db2.gz ILDYLNDQQHNGTO-GOSISDBHSA-N 1 3 350.576 2.814 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](Cc3nccs3)C2)CC1 ZINC000932203252 739404212 /nfs/dbraw/zinc/40/42/12/739404212.db2.gz ILDYLNDQQHNGTO-GOSISDBHSA-N 1 3 350.576 2.814 20 0 FFADHO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810491425 741421063 /nfs/dbraw/zinc/42/10/63/741421063.db2.gz YNXVZJDFSSPAFJ-SFHVURJKSA-N 1 3 355.523 2.851 20 0 FFADHO Fc1cc(Br)ccc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817902233 742221491 /nfs/dbraw/zinc/22/14/91/742221491.db2.gz LLQWYIWYXSFJCV-USXIJHARSA-N 1 3 371.294 2.877 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccccc1Br ZINC000817934395 742223265 /nfs/dbraw/zinc/22/32/65/742223265.db2.gz GJNQBXLIRXDMKA-DIFFPNOSSA-N 1 3 364.287 2.995 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000818973087 742318522 /nfs/dbraw/zinc/31/85/22/742318522.db2.gz QNPOSYXAJVBSBH-BZNIZROVSA-N 1 3 357.267 2.696 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cnc(C)s3)CC2)CC[N@@H+]1C ZINC001052394204 743586760 /nfs/dbraw/zinc/58/67/60/743586760.db2.gz BCKYOWQSRYIZDL-BPQIPLTHSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cnc(C)s3)CC2)CC[N@H+]1C ZINC001052394204 743586761 /nfs/dbraw/zinc/58/67/61/743586761.db2.gz BCKYOWQSRYIZDL-BPQIPLTHSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](c2ccccc2)N(C)C)cc(Cl)n1 ZINC000831769816 745581932 /nfs/dbraw/zinc/58/19/32/745581932.db2.gz YFTSZYMZEOGOTL-DLBZAZTESA-N 1 3 360.889 2.852 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000834911456 745923484 /nfs/dbraw/zinc/92/34/84/745923484.db2.gz SWEMUFJCBXDTJI-XBVQOTNRSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000834911456 745923488 /nfs/dbraw/zinc/92/34/88/745923488.db2.gz SWEMUFJCBXDTJI-XBVQOTNRSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000834911456 745923492 /nfs/dbraw/zinc/92/34/92/745923492.db2.gz SWEMUFJCBXDTJI-XBVQOTNRSA-N 1 3 353.304 2.945 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C[C@H]1C ZINC000844186151 747984569 /nfs/dbraw/zinc/98/45/69/747984569.db2.gz UYUYPANLYAHMAN-KBMXLJTQSA-N 1 3 352.910 2.765 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C[C@H]1C ZINC000844186151 747984575 /nfs/dbraw/zinc/98/45/75/747984575.db2.gz UYUYPANLYAHMAN-KBMXLJTQSA-N 1 3 352.910 2.765 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCSC(C)(C)C)CC2)CC1 ZINC000847433453 748701305 /nfs/dbraw/zinc/70/13/05/748701305.db2.gz VARYNNXIUCKKLX-UHFFFAOYSA-N 1 3 355.592 2.831 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000849064196 749044344 /nfs/dbraw/zinc/04/43/44/749044344.db2.gz DZINASLGOZUSQJ-QAPCUYQASA-N 1 3 363.937 2.765 20 0 FFADHO CCOc1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000849275384 749083484 /nfs/dbraw/zinc/08/34/84/749083484.db2.gz NGTJPCMELBNSPH-HNNXBMFYSA-N 1 3 352.548 2.644 20 0 FFADHO CCOc1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000849275384 749083489 /nfs/dbraw/zinc/08/34/89/749083489.db2.gz NGTJPCMELBNSPH-HNNXBMFYSA-N 1 3 352.548 2.644 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc(Cl)n1 ZINC000852927400 749973846 /nfs/dbraw/zinc/97/38/46/749973846.db2.gz MSNWZWVPAYOATC-NVXWUHKLSA-N 1 3 364.921 2.672 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc(Cl)n1 ZINC000852927400 749973854 /nfs/dbraw/zinc/97/38/54/749973854.db2.gz MSNWZWVPAYOATC-NVXWUHKLSA-N 1 3 364.921 2.672 20 0 FFADHO COc1ccc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000896020524 971162285 /nfs/dbraw/zinc/16/22/85/971162285.db2.gz YYVZEWXLEOEYDF-UHFFFAOYSA-N 1 3 355.482 2.597 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccc(C)cc2)C1 ZINC001104937596 971183837 /nfs/dbraw/zinc/18/38/37/971183837.db2.gz GDNWCTDRANQYCX-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CC[NH2+]Cc1cccc(F)c1F ZINC001105014734 971357202 /nfs/dbraw/zinc/35/72/02/971357202.db2.gz ZNFGGESGYDWXDI-NVXWUHKLSA-N 1 3 365.468 2.635 20 0 FFADHO Cc1nc(CC2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)no1 ZINC000896550529 971576470 /nfs/dbraw/zinc/57/64/70/971576470.db2.gz DMVYMWCMNWOSAJ-UHFFFAOYSA-N 1 3 358.486 2.773 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001111494353 971644108 /nfs/dbraw/zinc/64/41/08/971644108.db2.gz LHEDXFGQUQNZIS-RLLQIKCJSA-N 1 3 363.546 2.543 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087993286 971737300 /nfs/dbraw/zinc/73/73/00/971737300.db2.gz JEZGCVTWVICWCO-BHIFYINESA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087993286 971737304 /nfs/dbraw/zinc/73/73/04/971737304.db2.gz JEZGCVTWVICWCO-BHIFYINESA-N 1 3 369.553 2.924 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)CC[C@@H]2C1)C1CCC1 ZINC001087994815 971743533 /nfs/dbraw/zinc/74/35/33/971743533.db2.gz DLCMOBVMYFXWRE-BBWFWOEESA-N 1 3 369.500 2.686 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)CC[C@@H]2C1)C1CCC1 ZINC001087994815 971743541 /nfs/dbraw/zinc/74/35/41/971743541.db2.gz DLCMOBVMYFXWRE-BBWFWOEESA-N 1 3 369.500 2.686 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)c1 ZINC001087994429 971743982 /nfs/dbraw/zinc/74/39/82/971743982.db2.gz JHQHXBMCVLYBDT-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)c1 ZINC001087994429 971743988 /nfs/dbraw/zinc/74/39/88/971743988.db2.gz JHQHXBMCVLYBDT-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000047104306 971808722 /nfs/dbraw/zinc/80/87/22/971808722.db2.gz CMPNQCKOKRGMDC-NHCUHLMSSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000047104306 971808724 /nfs/dbraw/zinc/80/87/24/971808724.db2.gz CMPNQCKOKRGMDC-NHCUHLMSSA-N 1 3 370.541 2.839 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(Cc3ccc4c(c3)CCC4)CC2(C)C)CC[N@@H+]1C ZINC000974605876 972052793 /nfs/dbraw/zinc/05/27/93/972052793.db2.gz OJGAVTXQQONIHH-HBGVWJBISA-N 1 3 369.553 2.842 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CN(Cc3ccc4c(c3)CCC4)CC2(C)C)CC[N@H+]1C ZINC000974605876 972052799 /nfs/dbraw/zinc/05/27/99/972052799.db2.gz OJGAVTXQQONIHH-HBGVWJBISA-N 1 3 369.553 2.842 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000660573551 972257473 /nfs/dbraw/zinc/25/74/73/972257473.db2.gz IKSCVDCZPNUOOW-FQEVSTJZSA-N 1 3 374.504 2.841 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3cc(F)cc(Cl)c3)CC2)C1=O ZINC001275916345 1013185885 /nfs/dbraw/zinc/18/58/85/1013185885.db2.gz TZQZRPYDDMSJNO-UHFFFAOYSA-N 1 3 367.896 2.855 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3cc(C)cc(C)c3)C2)CC[N@@H+]1C ZINC000969687413 959764004 /nfs/dbraw/zinc/76/40/04/959764004.db2.gz AOFFVCQHOIGZOG-JRGCBEDISA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3cc(C)cc(C)c3)C2)CC[N@H+]1C ZINC000969687413 959764018 /nfs/dbraw/zinc/76/40/18/959764018.db2.gz AOFFVCQHOIGZOG-JRGCBEDISA-N 1 3 357.542 2.970 20 0 FFADHO CCCc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC000969699457 959777526 /nfs/dbraw/zinc/77/75/26/959777526.db2.gz JYTJSMHEVBTRPU-CBGDNZLLSA-N 1 3 357.542 2.916 20 0 FFADHO CCCc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000969699457 959777536 /nfs/dbraw/zinc/77/75/36/959777536.db2.gz JYTJSMHEVBTRPU-CBGDNZLLSA-N 1 3 357.542 2.916 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)c1 ZINC001095424112 1013331763 /nfs/dbraw/zinc/33/17/63/1013331763.db2.gz FXMABZLOZAXILU-ANULTFPQSA-N 1 3 353.510 2.558 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001104291987 962345542 /nfs/dbraw/zinc/34/55/42/962345542.db2.gz DGRDDSVFCWVRAS-AHRSYUTCSA-N 1 3 361.574 2.981 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001104294264 962374554 /nfs/dbraw/zinc/37/45/54/962374554.db2.gz FWLCSKRGHOPJPV-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001087134676 963076571 /nfs/dbraw/zinc/07/65/71/963076571.db2.gz AXXQZKJXOWXFGX-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001087135096 963083456 /nfs/dbraw/zinc/08/34/56/963083456.db2.gz QPEUUVBSRYCPPI-UXPWSPDFSA-N 1 3 361.505 2.967 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C ZINC001087135062 963084159 /nfs/dbraw/zinc/08/41/59/963084159.db2.gz PTFSHASIFVCSAB-XPGWFJOJSA-N 1 3 361.505 2.945 20 0 FFADHO [NH3+]Cc1ccc(OCc2cn([C@H]3CCN(Cc4ccccc4)C3)nn2)cc1 ZINC000656456322 963593396 /nfs/dbraw/zinc/59/33/96/963593396.db2.gz YVOIPAHVMYSJPR-FQEVSTJZSA-N 1 3 363.465 2.763 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2c(C)nsc2C)C1)N(C)C ZINC001104346810 963694118 /nfs/dbraw/zinc/69/41/18/963694118.db2.gz KLKIDKJYHRCNJP-MZMPZRCHSA-N 1 3 366.575 2.674 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000891495731 964388501 /nfs/dbraw/zinc/38/85/01/964388501.db2.gz RXXTWUAKHNUCPK-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000891495731 964388515 /nfs/dbraw/zinc/38/85/15/964388515.db2.gz RXXTWUAKHNUCPK-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001087165586 964464938 /nfs/dbraw/zinc/46/49/38/964464938.db2.gz CPLVQKLJIOUFEM-SOLBZPMBSA-N 1 3 364.559 2.733 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1 ZINC001087165586 964464943 /nfs/dbraw/zinc/46/49/43/964464943.db2.gz CPLVQKLJIOUFEM-SOLBZPMBSA-N 1 3 364.559 2.733 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2cc(N)ccn2)CC1 ZINC000891569124 964503313 /nfs/dbraw/zinc/50/33/13/964503313.db2.gz OXYUKLVFBMSWND-HNNXBMFYSA-N 1 3 353.470 2.689 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000891766103 965038230 /nfs/dbraw/zinc/03/82/30/965038230.db2.gz RJGBIAXIDNOIGF-FFZOFVMBSA-N 1 3 370.541 2.653 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000891766103 965038238 /nfs/dbraw/zinc/03/82/38/965038238.db2.gz RJGBIAXIDNOIGF-FFZOFVMBSA-N 1 3 370.541 2.653 20 0 FFADHO CC[C@H](CNC(=O)N1CCC12CC[NH+](C)CC2)N1CCc2ccccc2C1 ZINC000891890550 965340566 /nfs/dbraw/zinc/34/05/66/965340566.db2.gz VAGQJGBIFSUCEX-HXUWFJFHSA-N 1 3 370.541 2.703 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001110190527 1013578426 /nfs/dbraw/zinc/57/84/26/1013578426.db2.gz BKNHICBFDIPSIY-ZRNYENFQSA-N 1 3 363.546 2.543 20 0 FFADHO CC1(C)CN([C@H]2CCCNC2=O)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836385 965550167 /nfs/dbraw/zinc/55/01/67/965550167.db2.gz TVEYSLDNMHVOSG-PMACEKPBSA-N 1 3 355.526 2.888 20 0 FFADHO O=C(c1ccco1)N1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167989072 966129496 /nfs/dbraw/zinc/12/94/96/966129496.db2.gz STCBMJMDLODQNL-YCMWJMFESA-N 1 3 369.509 2.689 20 0 FFADHO O=C(c1ccco1)N1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167989072 966129499 /nfs/dbraw/zinc/12/94/99/966129499.db2.gz STCBMJMDLODQNL-YCMWJMFESA-N 1 3 369.509 2.689 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@H](C)O1 ZINC000657366468 966311406 /nfs/dbraw/zinc/31/14/06/966311406.db2.gz HEXJGYPZWZRUCQ-LVCYWYKZSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC001087212437 966571356 /nfs/dbraw/zinc/57/13/56/966571356.db2.gz BUNMDQHYNAIBIX-HLIPFELVSA-N 1 3 361.505 2.884 20 0 FFADHO COCCOc1cccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657594007 966938744 /nfs/dbraw/zinc/93/87/44/966938744.db2.gz GHJLQHAKPGWVDF-NRFANRHFSA-N 1 3 370.493 2.568 20 0 FFADHO COCCOc1cccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657594007 966938750 /nfs/dbraw/zinc/93/87/50/966938750.db2.gz GHJLQHAKPGWVDF-NRFANRHFSA-N 1 3 370.493 2.568 20 0 FFADHO CCN(CC)C(=O)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000092592615 967421941 /nfs/dbraw/zinc/42/19/41/967421941.db2.gz ZOSNKCUZPAATNM-UHFFFAOYSA-N 1 3 361.530 2.707 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800200 967662677 /nfs/dbraw/zinc/66/26/77/967662677.db2.gz RTPNCVSFOPRTMV-DZFGPLHGSA-N 1 3 371.500 2.509 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001023379245 967762834 /nfs/dbraw/zinc/76/28/34/967762834.db2.gz IWDIKUSSTFNTKN-NKQNKAFKSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C/C=C\c3ccccc3)C2)CC[N@H+]1C ZINC001023379245 967762842 /nfs/dbraw/zinc/76/28/42/967762842.db2.gz IWDIKUSSTFNTKN-NKQNKAFKSA-N 1 3 355.526 2.868 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]C/C=C\Cl)C2)CCC1 ZINC001211616175 968029439 /nfs/dbraw/zinc/02/94/39/968029439.db2.gz ZQVKHYWYKUNANK-XTQWYIJYSA-N 1 3 361.917 2.807 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCOc1cccc(C)c1 ZINC001087578374 968232618 /nfs/dbraw/zinc/23/26/18/968232618.db2.gz REBFMVGNSXZKIN-AYWYSENESA-N 1 3 373.541 2.683 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCOc1cccc(C)c1 ZINC001087578374 968232626 /nfs/dbraw/zinc/23/26/26/968232626.db2.gz REBFMVGNSXZKIN-AYWYSENESA-N 1 3 373.541 2.683 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CC[N@@H+]1CC=C(C)C ZINC001087601468 968320765 /nfs/dbraw/zinc/32/07/65/968320765.db2.gz SXUKKCHFJRVQEG-XUVXKRRUSA-N 1 3 363.546 2.565 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CC[N@H+]1CC=C(C)C ZINC001087601468 968320781 /nfs/dbraw/zinc/32/07/81/968320781.db2.gz SXUKKCHFJRVQEG-XUVXKRRUSA-N 1 3 363.546 2.565 20 0 FFADHO Fc1ccc([C@@H](NCC2CC[NH+](C3CCOCC3)CC2)c2c[nH]nn2)cc1 ZINC000658071745 968528681 /nfs/dbraw/zinc/52/86/81/968528681.db2.gz YCAYEQWDVMNQNL-HXUWFJFHSA-N 1 3 373.476 2.514 20 0 FFADHO CN1CCN(Cc2ccccc2)[C@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000658342207 968655862 /nfs/dbraw/zinc/65/58/62/968655862.db2.gz LTJDUIMKNVWNCS-OAQYLSRUSA-N 1 3 358.574 2.655 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665355496 969074633 /nfs/dbraw/zinc/07/46/33/969074633.db2.gz XERHRXJANIPVQB-PMACEKPBSA-N 1 3 372.557 2.818 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665355496 969074646 /nfs/dbraw/zinc/07/46/46/969074646.db2.gz XERHRXJANIPVQB-PMACEKPBSA-N 1 3 372.557 2.818 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C)nc1C ZINC001087796482 969099584 /nfs/dbraw/zinc/09/95/84/969099584.db2.gz BONSBNUDYVSHPB-YSIASYRMSA-N 1 3 358.530 2.509 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C)nc1C ZINC001087796482 969099593 /nfs/dbraw/zinc/09/95/93/969099593.db2.gz BONSBNUDYVSHPB-YSIASYRMSA-N 1 3 358.530 2.509 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC000892529828 969373776 /nfs/dbraw/zinc/37/37/76/969373776.db2.gz CIJKWIJKWMEQPX-FQEVSTJZSA-N 1 3 358.530 2.600 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])c(C)c2)CC1 ZINC000658981734 969599648 /nfs/dbraw/zinc/59/96/48/969599648.db2.gz SZWCLHQAQNZSSE-APWZRJJASA-N 1 3 373.545 2.728 20 0 FFADHO C[C@H](CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000659037680 969655349 /nfs/dbraw/zinc/65/53/49/969655349.db2.gz JHRTYHBNJFARJN-VQIMIIECSA-N 1 3 360.502 2.734 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000647551909 969695063 /nfs/dbraw/zinc/69/50/63/969695063.db2.gz VLGFBTBAYSAFOK-PXNSSMCTSA-N 1 3 358.486 2.707 20 0 FFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cc21 ZINC000659363802 969868971 /nfs/dbraw/zinc/86/89/71/969868971.db2.gz AIHXMXKKRXJVGP-GHTZIAJQSA-N 1 3 365.477 2.978 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000659425160 969911244 /nfs/dbraw/zinc/91/12/44/969911244.db2.gz IAKCKHJAAWENDX-NJYVYQBISA-N 1 3 366.509 2.734 20 0 FFADHO CN(CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000659442776 969933129 /nfs/dbraw/zinc/93/31/29/969933129.db2.gz UIELTFZXBWRNGF-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCCC1)c1ccccc1 ZINC000659454781 969946035 /nfs/dbraw/zinc/94/60/35/969946035.db2.gz NVBYLTVBQUWNEK-CGTJXYLNSA-N 1 3 362.493 2.731 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H](C)CN1 ZINC000659611299 970077181 /nfs/dbraw/zinc/07/71/81/970077181.db2.gz NJRRPSPGHPAHJH-QWFCFKBJSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H](C)CN1 ZINC000659611299 970077188 /nfs/dbraw/zinc/07/71/88/970077188.db2.gz NJRRPSPGHPAHJH-QWFCFKBJSA-N 1 3 370.541 2.681 20 0 FFADHO Cc1ncoc1C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682447 970098537 /nfs/dbraw/zinc/09/85/37/970098537.db2.gz QGSAPVSHEJAIII-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO COCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104684068 970100343 /nfs/dbraw/zinc/10/03/43/970100343.db2.gz WEIBQEXEOCQOAL-RTBURBONSA-N 1 3 367.578 2.609 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]Cc1ccc(CF)cc1 ZINC001104728859 970181811 /nfs/dbraw/zinc/18/18/11/970181811.db2.gz DQAGBYNTAZCCST-CRAIPNDOSA-N 1 3 358.461 2.696 20 0 FFADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H](C)c3cn(C)cn3)CC2)c1 ZINC000924611332 970388092 /nfs/dbraw/zinc/38/80/92/970388092.db2.gz ALGHKRQSRBZMEB-IBGZPJMESA-N 1 3 355.530 2.982 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H](C)c4ccc(F)cc4)C[C@H]32)CC[N@@H+]1C ZINC001025794964 970425732 /nfs/dbraw/zinc/42/57/32/970425732.db2.gz GZVODKMWKQPEQV-GYDQMFFNSA-N 1 3 359.489 2.663 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H](C)c4ccc(F)cc4)C[C@H]32)CC[N@H+]1C ZINC001025794964 970425739 /nfs/dbraw/zinc/42/57/39/970425739.db2.gz GZVODKMWKQPEQV-GYDQMFFNSA-N 1 3 359.489 2.663 20 0 FFADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]CC1CCN(Cc3ccncc3)CC1)OCCO2 ZINC000895345960 970433405 /nfs/dbraw/zinc/43/34/05/970433405.db2.gz AXSYFMFYMBYQEF-MOPGFXCFSA-N 1 3 363.477 2.517 20 0 FFADHO CC(C)OCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753558 970670627 /nfs/dbraw/zinc/67/06/27/970670627.db2.gz GTXWMXBUBUWBAS-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H]3CCN(C/C=C\Cl)C[C@H]3C2)C1 ZINC001088106742 972824530 /nfs/dbraw/zinc/82/45/30/972824530.db2.gz OSHGEOMARXFAJC-GCSBYDRTSA-N 1 3 371.928 2.732 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@H]3CCN(C/C=C\Cl)C[C@H]3C2)C1 ZINC001088106742 972824537 /nfs/dbraw/zinc/82/45/37/972824537.db2.gz OSHGEOMARXFAJC-GCSBYDRTSA-N 1 3 371.928 2.732 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001088129233 972972865 /nfs/dbraw/zinc/97/28/65/972972865.db2.gz CODXTTQTDBVSDV-ZCNNSNEGSA-N 1 3 370.541 2.626 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000876109469 1014135817 /nfs/dbraw/zinc/13/58/17/1014135817.db2.gz MZAJXDRHXTZHRG-FDYSRKEFSA-N 1 3 364.509 2.991 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001112182032 973750497 /nfs/dbraw/zinc/75/04/97/973750497.db2.gz KXHKMVBSXOMOBZ-HZPDHXFCSA-N 1 3 361.452 2.808 20 0 FFADHO CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639666 973798957 /nfs/dbraw/zinc/79/89/57/973798957.db2.gz AFGMXWOQQCZELJ-HNNXBMFYSA-N 1 3 370.488 2.768 20 0 FFADHO CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639666 973798967 /nfs/dbraw/zinc/79/89/67/973798967.db2.gz AFGMXWOQQCZELJ-HNNXBMFYSA-N 1 3 370.488 2.768 20 0 FFADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662732088 973839627 /nfs/dbraw/zinc/83/96/27/973839627.db2.gz JUQXYTJNDKRUQW-RTWAWAEBSA-N 1 3 369.509 2.625 20 0 FFADHO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000651794211 974034307 /nfs/dbraw/zinc/03/43/07/974034307.db2.gz KLLWNKDQDCQLCO-UHFFFAOYSA-N 1 3 355.530 2.605 20 0 FFADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000909597746 974162484 /nfs/dbraw/zinc/16/24/84/974162484.db2.gz AZFFZTLUXFATLG-CABCVRRESA-N 1 3 374.403 2.979 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)C2 ZINC000652152601 974638651 /nfs/dbraw/zinc/63/86/51/974638651.db2.gz RKSAWLRKKNFDLG-VWPQPMDRSA-N 1 3 370.541 2.984 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nncnn2)cc1 ZINC000652308007 974805415 /nfs/dbraw/zinc/80/54/15/974805415.db2.gz WIJSTIPCPFTRGT-UTKZUKDTSA-N 1 3 374.492 2.934 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nncnn2)cc1 ZINC000652308007 974805421 /nfs/dbraw/zinc/80/54/21/974805421.db2.gz WIJSTIPCPFTRGT-UTKZUKDTSA-N 1 3 374.492 2.934 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cc(F)ccc3F)CCCC2)CC[N@@H+]1C ZINC001268035907 975085962 /nfs/dbraw/zinc/08/59/62/975085962.db2.gz ISAKKDXRCIWRRH-RHSMWYFYSA-N 1 3 365.468 2.824 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cc(F)ccc3F)CCCC2)CC[N@H+]1C ZINC001268035907 975085967 /nfs/dbraw/zinc/08/59/67/975085967.db2.gz ISAKKDXRCIWRRH-RHSMWYFYSA-N 1 3 365.468 2.824 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCCCF)C2)C1 ZINC001112530005 975372424 /nfs/dbraw/zinc/37/24/24/975372424.db2.gz YXHLBVIJEFAWOQ-BJLQDIEVSA-N 1 3 353.526 2.686 20 0 FFADHO CC(C)(C)n1nnc(CCN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271584 975394058 /nfs/dbraw/zinc/39/40/58/975394058.db2.gz XLDBWMFEKIXVFY-OALUTQOASA-N 1 3 370.545 2.643 20 0 FFADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297230 975412812 /nfs/dbraw/zinc/41/28/12/975412812.db2.gz OQRSEASPZHDHBZ-HXUWFJFHSA-N 1 3 373.541 2.551 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000961856807 1014281572 /nfs/dbraw/zinc/28/15/72/1014281572.db2.gz OIXGBCRFOUSFNM-CALVRSAPSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC000961856807 1014281580 /nfs/dbraw/zinc/28/15/80/1014281580.db2.gz OIXGBCRFOUSFNM-CALVRSAPSA-N 1 3 365.468 2.680 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662677186 975814200 /nfs/dbraw/zinc/81/42/00/975814200.db2.gz WDVJKCRDJXYKLU-UHFFFAOYSA-N 1 3 359.514 2.685 20 0 FFADHO CC(C)(CNC(=O)c1cccc2c1CC[NH2+]C2)N1CCc2ccccc2C1 ZINC000662678471 975815669 /nfs/dbraw/zinc/81/56/69/975815669.db2.gz FRJUQSIGKDZQFQ-UHFFFAOYSA-N 1 3 363.505 2.899 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000663421605 975857924 /nfs/dbraw/zinc/85/79/24/975857924.db2.gz VTJGGMGKLFOUFC-AWEZNQCLSA-N 1 3 374.451 2.777 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000663421605 975857938 /nfs/dbraw/zinc/85/79/38/975857938.db2.gz VTJGGMGKLFOUFC-AWEZNQCLSA-N 1 3 374.451 2.777 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000663452165 975935563 /nfs/dbraw/zinc/93/55/63/975935563.db2.gz JJZMPXKCBGXJTQ-LEWJYISDSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000663452165 975935577 /nfs/dbraw/zinc/93/55/77/975935577.db2.gz JJZMPXKCBGXJTQ-LEWJYISDSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H](F)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531818 975963919 /nfs/dbraw/zinc/96/39/19/975963919.db2.gz RZIJGVKRLSQXEP-UWVAXJGDSA-N 1 3 355.542 2.931 20 0 FFADHO CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531875 975968015 /nfs/dbraw/zinc/96/80/15/975968015.db2.gz VIYAZYHQLPAUNK-RXVVDRJESA-N 1 3 367.578 2.609 20 0 FFADHO CC[N@@H+](Cc1c(C)nn(CCO)c1C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093818714 976059394 /nfs/dbraw/zinc/05/93/94/976059394.db2.gz XWJLNEMXZWWVKJ-NRFANRHFSA-N 1 3 370.541 2.836 20 0 FFADHO CC[N@H+](Cc1c(C)nn(CCO)c1C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093818714 976059410 /nfs/dbraw/zinc/05/94/10/976059410.db2.gz XWJLNEMXZWWVKJ-NRFANRHFSA-N 1 3 370.541 2.836 20 0 FFADHO COc1ccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)cc1 ZINC000990760654 976949323 /nfs/dbraw/zinc/94/93/23/976949323.db2.gz GWULOWGDOZALTH-DEZRYOJYSA-N 1 3 371.525 2.649 20 0 FFADHO COc1ccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)cc1 ZINC000990760654 976949332 /nfs/dbraw/zinc/94/93/32/976949332.db2.gz GWULOWGDOZALTH-DEZRYOJYSA-N 1 3 371.525 2.649 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667804589 977074332 /nfs/dbraw/zinc/07/43/32/977074332.db2.gz GHVBTLIJWHARHF-GOSISDBHSA-N 1 3 357.502 2.646 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667804589 977074344 /nfs/dbraw/zinc/07/43/44/977074344.db2.gz GHVBTLIJWHARHF-GOSISDBHSA-N 1 3 357.502 2.646 20 0 FFADHO c1ccc(COc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000261592579 977344410 /nfs/dbraw/zinc/34/44/10/977344410.db2.gz MKPLDJCHCCBWIQ-OAQYLSRUSA-N 1 3 351.494 2.745 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCCN4C)CC2)CC1 ZINC000893814934 977554887 /nfs/dbraw/zinc/55/48/87/977554887.db2.gz YRYKAMKGXXSNLO-GUMHCPJTSA-N 1 3 362.562 2.908 20 0 FFADHO CN(C)Cc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1C(F)(F)F ZINC000924887304 978019019 /nfs/dbraw/zinc/01/90/19/978019019.db2.gz OVLMYUKPPSXGFB-QGZVFWFLSA-N 1 3 373.419 2.552 20 0 FFADHO CN(C)Cc1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1C(F)(F)F ZINC000924887304 978019024 /nfs/dbraw/zinc/01/90/24/978019024.db2.gz OVLMYUKPPSXGFB-QGZVFWFLSA-N 1 3 373.419 2.552 20 0 FFADHO Cc1cccnc1[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000664133602 978055119 /nfs/dbraw/zinc/05/51/19/978055119.db2.gz AUZCOFRLFKOQCE-ZWKOTPCHSA-N 1 3 363.550 2.658 20 0 FFADHO Cc1cccnc1[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000664133602 978055123 /nfs/dbraw/zinc/05/51/23/978055123.db2.gz AUZCOFRLFKOQCE-ZWKOTPCHSA-N 1 3 363.550 2.658 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000877055847 1014462781 /nfs/dbraw/zinc/46/27/81/1014462781.db2.gz WDZCRNFJVGEFOV-ZWKOTPCHSA-N 1 3 371.868 2.764 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCc3cncs3)C2)CC[N@@H+]1C ZINC001088318040 979143037 /nfs/dbraw/zinc/14/30/37/979143037.db2.gz WDGLBHGJROGDFK-RYQLBKOJSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCc3cncs3)C2)CC[N@H+]1C ZINC001088318040 979143041 /nfs/dbraw/zinc/14/30/41/979143041.db2.gz WDGLBHGJROGDFK-RYQLBKOJSA-N 1 3 364.559 2.734 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000877618570 1014649726 /nfs/dbraw/zinc/64/97/26/1014649726.db2.gz ZHIPFPVLZJUJJO-OKILXGFUSA-N 1 3 366.506 2.864 20 0 FFADHO Cc1ccc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000666138754 980336418 /nfs/dbraw/zinc/33/64/18/980336418.db2.gz ZJGXZKBQFGKMRF-INIZCTEOSA-N 1 3 362.518 2.930 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc2cc[nH]c2c1 ZINC000905153952 980388053 /nfs/dbraw/zinc/38/80/53/980388053.db2.gz IDMWBBYGOFEHIR-LJQANCHMSA-N 1 3 357.498 2.904 20 0 FFADHO COCCC[N@H+](C)CCOc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159734 980582632 /nfs/dbraw/zinc/58/26/32/980582632.db2.gz TVULYONKCKSTNX-FQEVSTJZSA-N 1 3 370.497 2.915 20 0 FFADHO COCCC[N@@H+](C)CCOc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906159734 980582636 /nfs/dbraw/zinc/58/26/36/980582636.db2.gz TVULYONKCKSTNX-FQEVSTJZSA-N 1 3 370.497 2.915 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000907100841 981195842 /nfs/dbraw/zinc/19/58/42/981195842.db2.gz LJGREQVYJQFGIZ-KRWDZBQOSA-N 1 3 358.530 2.988 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000650669800 1014725768 /nfs/dbraw/zinc/72/57/68/1014725768.db2.gz OTHPZQMPSQOFDW-ZVDOUQERSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000650669800 1014725779 /nfs/dbraw/zinc/72/57/79/1014725779.db2.gz OTHPZQMPSQOFDW-ZVDOUQERSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000668665719 981383502 /nfs/dbraw/zinc/38/35/02/981383502.db2.gz NEMYCEYNNYDHFQ-NJDAHSKKSA-N 1 3 370.541 2.682 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1)N(C)C ZINC000969076960 1014794471 /nfs/dbraw/zinc/79/44/71/1014794471.db2.gz GNTPUEFTUXVBLX-XDNAFOTISA-N 1 3 365.468 2.566 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897543909 982054922 /nfs/dbraw/zinc/05/49/22/982054922.db2.gz AAZHDFUFOWBCHD-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897543909 982054930 /nfs/dbraw/zinc/05/49/30/982054930.db2.gz AAZHDFUFOWBCHD-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO C[NH+](C)C1CCC(N2Cc3cncn3C[C@H](COc3cccnc3)C2)CC1 ZINC001168322215 982896392 /nfs/dbraw/zinc/89/63/92/982896392.db2.gz QANYAFCBTHJREJ-LMDPOFIKSA-N 1 3 369.513 2.662 20 0 FFADHO C[C@H]1CN(Cc2c3c(ccc2Br)OCO3)CCC[C@@H]1C[NH3+] ZINC001206011110 1032107527 /nfs/dbraw/zinc/10/75/27/1032107527.db2.gz ACZKNHZAPRDUTI-NWDGAFQWSA-N 1 3 355.276 2.985 20 0 FFADHO C[C@H](NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1c(F)cccc1F ZINC000996602310 984422118 /nfs/dbraw/zinc/42/21/18/984422118.db2.gz HEFUREIMJBCMQJ-SQWLQELKSA-N 1 3 365.468 2.947 20 0 FFADHO C[C@H](NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1c(F)cccc1F ZINC000996602310 984422121 /nfs/dbraw/zinc/42/21/21/984422121.db2.gz HEFUREIMJBCMQJ-SQWLQELKSA-N 1 3 365.468 2.947 20 0 FFADHO O=C1N(CC(F)(F)F)CCC12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168395086 984471724 /nfs/dbraw/zinc/47/17/24/984471724.db2.gz LFFRKQQORVWACE-UHFFFAOYSA-N 1 3 373.463 2.738 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C)CN1CCCC1 ZINC000158225849 984810840 /nfs/dbraw/zinc/81/08/40/984810840.db2.gz GFTOTCPOAYWQDM-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000764930504 984827185 /nfs/dbraw/zinc/82/71/85/984827185.db2.gz AUCYFZCCBJUQTF-MSOLQXFVSA-N 1 3 355.530 2.857 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C)([NH3+])CC2)N(C)C)cc1 ZINC000669586781 984871502 /nfs/dbraw/zinc/87/15/02/984871502.db2.gz XJVRJSQHAPTTJU-GOSISDBHSA-N 1 3 362.518 2.599 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC(C)(C)[NH3+] ZINC000646256289 984884038 /nfs/dbraw/zinc/88/40/38/984884038.db2.gz YXUMQHKCXCDDLL-KRWDZBQOSA-N 1 3 355.486 2.704 20 0 FFADHO O=C(CC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001107644818 984911089 /nfs/dbraw/zinc/91/10/89/984911089.db2.gz HWWYZFNZTDPJNW-IFMALSPDSA-N 1 3 370.541 2.818 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1C ZINC001088970616 985685391 /nfs/dbraw/zinc/68/53/91/985685391.db2.gz HSNNLVINNQPXFO-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1C ZINC001088970616 985685401 /nfs/dbraw/zinc/68/54/01/985685401.db2.gz HSNNLVINNQPXFO-YZGWKJHDSA-N 1 3 365.562 2.789 20 0 FFADHO C[C@@H]1CN(Cc2c[nH]c3ncc(Br)nc23)CCC[C@H]1C[NH3+] ZINC001206025423 1032112413 /nfs/dbraw/zinc/11/24/13/1032112413.db2.gz NYMQOCJGMUTDDX-MNOVXSKESA-N 1 3 352.280 2.527 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC001089038999 986055201 /nfs/dbraw/zinc/05/52/01/986055201.db2.gz SFOFNPALBQDPGQ-UNEWFSDZSA-N 1 3 369.431 2.736 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC001089038999 986055215 /nfs/dbraw/zinc/05/52/15/986055215.db2.gz SFOFNPALBQDPGQ-UNEWFSDZSA-N 1 3 369.431 2.736 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)c2ccco2)CC1 ZINC000088735071 986581119 /nfs/dbraw/zinc/58/11/19/986581119.db2.gz KQJSHZPIUCCRJJ-OAQYLSRUSA-N 1 3 357.498 2.809 20 0 FFADHO CC(C)COCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134304 987076848 /nfs/dbraw/zinc/07/68/48/987076848.db2.gz ZQSLLRCPVHJDMO-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000921843399 987221456 /nfs/dbraw/zinc/22/14/56/987221456.db2.gz WTTDDWACGDLIQW-LFUKPOHLSA-N 1 3 354.498 2.660 20 0 FFADHO CO[C@@H]1CN(CC2CC(C)C2)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212495486 987765247 /nfs/dbraw/zinc/76/52/47/987765247.db2.gz HBXJBBWQZIOHFY-LRMJVLKBSA-N 1 3 365.562 2.501 20 0 FFADHO CO[C@@H]1CN(CC2CC(C)C2)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212495486 987765252 /nfs/dbraw/zinc/76/52/52/987765252.db2.gz HBXJBBWQZIOHFY-LRMJVLKBSA-N 1 3 365.562 2.501 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001106255810 987769108 /nfs/dbraw/zinc/76/91/08/987769108.db2.gz KHFYRLCJQUDOLJ-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312963 987945662 /nfs/dbraw/zinc/94/56/62/987945662.db2.gz QKJJDLWNDWVOPD-DUXKGJEZSA-N 1 3 359.558 2.816 20 0 FFADHO Cc1cccnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001085196473 988043009 /nfs/dbraw/zinc/04/30/09/988043009.db2.gz AFWKEEUORSJIRQ-GGPKGHCWSA-N 1 3 358.530 2.780 20 0 FFADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1CNCc1nccs1 ZINC001106477022 988247092 /nfs/dbraw/zinc/24/70/92/988247092.db2.gz DTUMTOGCJFVLDI-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO FC(F)(F)CN1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000657613334 988354015 /nfs/dbraw/zinc/35/40/15/988354015.db2.gz YTVWMMZNHCBGIO-UHFFFAOYSA-N 1 3 370.463 2.910 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccccc2F)[C@H](C)C1)N(C)C ZINC001106633172 988537655 /nfs/dbraw/zinc/53/76/55/988537655.db2.gz BPAKRNLYDWERCN-YVWKXTFCSA-N 1 3 363.521 2.639 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000922386480 988542542 /nfs/dbraw/zinc/54/25/42/988542542.db2.gz HPILOBWOEPOWEL-XRXFAXGQSA-N 1 3 372.488 2.581 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000922386480 988542549 /nfs/dbraw/zinc/54/25/49/988542549.db2.gz HPILOBWOEPOWEL-XRXFAXGQSA-N 1 3 372.488 2.581 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@@H]1C(C)C ZINC000922392382 988552160 /nfs/dbraw/zinc/55/21/60/988552160.db2.gz DGNRBRULXIMQPR-XWSHUIEDSA-N 1 3 369.509 2.900 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc4ccccc4[nH]c3=O)C2)[C@@H]1C(C)C ZINC000922392382 988552172 /nfs/dbraw/zinc/55/21/72/988552172.db2.gz DGNRBRULXIMQPR-XWSHUIEDSA-N 1 3 369.509 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCOC3CCCCCC3)C2)CC[N@@H+]1C ZINC001033092751 988775546 /nfs/dbraw/zinc/77/55/46/988775546.db2.gz UXEFQRDGKRHRET-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCOC3CCCCCC3)C2)CC[N@H+]1C ZINC001033092751 988775551 /nfs/dbraw/zinc/77/55/51/988775551.db2.gz UXEFQRDGKRHRET-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cc(C)ccc3F)CCC2)CC[N@@H+]1C ZINC001273084761 989138041 /nfs/dbraw/zinc/13/80/41/989138041.db2.gz YTSMPENGKBQZQB-PKOBYXMFSA-N 1 3 361.505 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cc(C)ccc3F)CCC2)CC[N@H+]1C ZINC001273084761 989138046 /nfs/dbraw/zinc/13/80/46/989138046.db2.gz YTSMPENGKBQZQB-PKOBYXMFSA-N 1 3 361.505 2.993 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1F)[C@H](c1ccccc1)N(C)C ZINC000652190916 1015492755 /nfs/dbraw/zinc/49/27/55/1015492755.db2.gz CKMSQMZJCZBLDP-AUUYWEPGSA-N 1 3 358.461 2.775 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700802359 989670589 /nfs/dbraw/zinc/67/05/89/989670589.db2.gz HRJNLXBCTPRNMB-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000916639415 989878988 /nfs/dbraw/zinc/87/89/88/989878988.db2.gz UVBRWAFRSGQMIJ-VQTJNVASSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000916639415 989878992 /nfs/dbraw/zinc/87/89/92/989878992.db2.gz UVBRWAFRSGQMIJ-VQTJNVASSA-N 1 3 371.529 2.577 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000674706790 989890264 /nfs/dbraw/zinc/89/02/64/989890264.db2.gz LJOPJXQPJLGBHQ-QWFCFKBJSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C[N@H+]1C1CC1 ZINC000674706790 989890268 /nfs/dbraw/zinc/89/02/68/989890268.db2.gz LJOPJXQPJLGBHQ-QWFCFKBJSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001034214951 989972059 /nfs/dbraw/zinc/97/20/59/989972059.db2.gz SDTHLKBVKYWHFI-NSISKUIASA-N 1 3 361.505 2.967 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001034214951 989972066 /nfs/dbraw/zinc/97/20/66/989972066.db2.gz SDTHLKBVKYWHFI-NSISKUIASA-N 1 3 361.505 2.967 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675120604 990058685 /nfs/dbraw/zinc/05/86/85/990058685.db2.gz JVAUUZBOGHHEMQ-XLIONFOSSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652346686 1015535440 /nfs/dbraw/zinc/53/54/40/1015535440.db2.gz DRVMAMMUJSKJCO-OHNKGQGDSA-N 1 3 373.541 2.513 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[NH+]3CCCCC3)cc2)CC1 ZINC000918028541 990320627 /nfs/dbraw/zinc/32/06/27/990320627.db2.gz ICINIDQGSOAIFN-SFHVURJKSA-N 1 3 373.545 2.824 20 0 FFADHO C[C@@H](CNC(=O)N(CCc1ccccc1)CCN(C)C)C[NH+]1CCCCC1 ZINC000918104564 990336819 /nfs/dbraw/zinc/33/68/19/990336819.db2.gz RKYYRVRBMYHEME-FQEVSTJZSA-N 1 3 374.573 2.924 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000918119358 990339053 /nfs/dbraw/zinc/33/90/53/990339053.db2.gz JCGAMUPUQXECGG-SFHVURJKSA-N 1 3 372.557 2.997 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000675824901 990390954 /nfs/dbraw/zinc/39/09/54/990390954.db2.gz JVOLYJSXGXKZHA-PCCBWWKXSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000675824901 990390956 /nfs/dbraw/zinc/39/09/56/990390956.db2.gz JVOLYJSXGXKZHA-PCCBWWKXSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001085196852 990413282 /nfs/dbraw/zinc/41/32/82/990413282.db2.gz QGUJSNIVLOAXIQ-BRWVUGGUSA-N 1 3 357.489 2.922 20 0 FFADHO CN1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000676133077 990479345 /nfs/dbraw/zinc/47/93/45/990479345.db2.gz YSCBDKQZBHPDAU-GOSISDBHSA-N 1 3 360.502 2.767 20 0 FFADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000135029787 991137843 /nfs/dbraw/zinc/13/78/43/991137843.db2.gz LMTIYQSDNZWNAS-OALUTQOASA-N 1 3 373.541 2.861 20 0 FFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923452459 991156001 /nfs/dbraw/zinc/15/60/01/991156001.db2.gz GZZWDXRFUYSHMH-ZWOKBUDYSA-N 1 3 373.541 2.645 20 0 FFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923452452 991156287 /nfs/dbraw/zinc/15/62/87/991156287.db2.gz GZZWDXRFUYSHMH-QKLQHJQFSA-N 1 3 373.541 2.645 20 0 FFADHO Cc1ccc2nc(CN3CCC([C@@H]4CCC[NH2+]CC4)CC3)cc(=O)n2c1 ZINC000923503333 991189571 /nfs/dbraw/zinc/18/95/71/991189571.db2.gz JITPGXOPPQKOMR-QGZVFWFLSA-N 1 3 354.498 2.605 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001079159203 991863140 /nfs/dbraw/zinc/86/31/40/991863140.db2.gz OSAMJCZGGSTMMO-AYOQOUSVSA-N 1 3 365.468 2.554 20 0 FFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001079159203 991863143 /nfs/dbraw/zinc/86/31/43/991863143.db2.gz OSAMJCZGGSTMMO-AYOQOUSVSA-N 1 3 365.468 2.554 20 0 FFADHO C[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037638 992688611 /nfs/dbraw/zinc/68/86/11/992688611.db2.gz PPXRAXJMKGPQPN-IXDOHACOSA-N 1 3 369.500 2.877 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001080037638 992688614 /nfs/dbraw/zinc/68/86/14/992688614.db2.gz PPXRAXJMKGPQPN-IXDOHACOSA-N 1 3 369.500 2.877 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC001107038629 993290896 /nfs/dbraw/zinc/29/08/96/993290896.db2.gz ATBZGKRAOFNHSL-YLJYHZDGSA-N 1 3 368.525 2.759 20 0 FFADHO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)ccc1C ZINC001107040041 993300595 /nfs/dbraw/zinc/30/05/95/993300595.db2.gz AMHPTEJTISRHRY-IEBWSBKVSA-N 1 3 361.530 2.528 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080782923 993333506 /nfs/dbraw/zinc/33/35/06/993333506.db2.gz GZGOJFQRRWDMEG-HGHGUNKESA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080782923 993333510 /nfs/dbraw/zinc/33/35/10/993333510.db2.gz GZGOJFQRRWDMEG-HGHGUNKESA-N 1 3 355.526 2.842 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001152206770 1032127023 /nfs/dbraw/zinc/12/70/23/1032127023.db2.gz RMTYQDQPDCXLHV-GBESFXJTSA-N 1 3 352.482 2.678 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001152206770 1032127035 /nfs/dbraw/zinc/12/70/35/1032127035.db2.gz RMTYQDQPDCXLHV-GBESFXJTSA-N 1 3 352.482 2.678 20 0 FFADHO C/C=C(\NC=[NH2+])NC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170596723 994689948 /nfs/dbraw/zinc/68/99/48/994689948.db2.gz XHYNKHACQBUDCV-GJLGPZEISA-N 1 3 352.482 2.697 20 0 FFADHO C[n+]1cccc(NC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC001170597104 994699403 /nfs/dbraw/zinc/69/94/03/994699403.db2.gz SKSQXZDXXJJQES-QHCPKHFHSA-N 1 3 362.497 2.986 20 0 FFADHO CCOC1CC(C[NH2+][C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C)C1 ZINC001082512330 994759863 /nfs/dbraw/zinc/75/98/63/994759863.db2.gz YSSNYSRGOMFRPY-LWSMDNFKSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520481 994812617 /nfs/dbraw/zinc/81/26/17/994812617.db2.gz ZMVBPKXTCBHVBA-YKTARERQSA-N 1 3 363.933 2.925 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520481 994812624 /nfs/dbraw/zinc/81/26/24/994812624.db2.gz ZMVBPKXTCBHVBA-YKTARERQSA-N 1 3 363.933 2.925 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810615993 994839480 /nfs/dbraw/zinc/83/94/80/994839480.db2.gz RRRWLCLUTMXSPL-FQEVSTJZSA-N 1 3 367.484 2.928 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)C1 ZINC001082557198 994925062 /nfs/dbraw/zinc/92/50/62/994925062.db2.gz RQLCGCMVVLPPIJ-IMFGXOCKSA-N 1 3 361.505 2.740 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3ccccc3F)C2)C1 ZINC001082557198 994925072 /nfs/dbraw/zinc/92/50/72/994925072.db2.gz RQLCGCMVVLPPIJ-IMFGXOCKSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001082559372 994933169 /nfs/dbraw/zinc/93/31/69/994933169.db2.gz CTRYCGLJCYJPSZ-FSPWUOQZSA-N 1 3 365.468 2.901 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559560 994933701 /nfs/dbraw/zinc/93/37/01/994933701.db2.gz JIGOAFGZRGKRSG-HBGVWJBISA-N 1 3 357.542 2.568 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001082561804 994943948 /nfs/dbraw/zinc/94/39/48/994943948.db2.gz RMQXMCSZOFMCJK-FOIQADDNSA-N 1 3 354.498 2.589 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)s1 ZINC001086694250 995127005 /nfs/dbraw/zinc/12/70/05/995127005.db2.gz JKDBXBBKQKUXSO-LZLYRXPVSA-N 1 3 364.559 2.699 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1cc2ccccc2o1 ZINC001082719566 995348920 /nfs/dbraw/zinc/34/89/20/995348920.db2.gz SWFFCXHZMYQIEK-DNVCBOLYSA-N 1 3 355.482 2.711 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NCc1cccc(Cl)c1F ZINC001082741108 995395402 /nfs/dbraw/zinc/39/54/02/995395402.db2.gz PVJZKQBFLTULAN-CKEIUWERSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NCc1cccc(Cl)c1F ZINC001082741108 995395411 /nfs/dbraw/zinc/39/54/11/995395411.db2.gz PVJZKQBFLTULAN-CKEIUWERSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001082744054 995403220 /nfs/dbraw/zinc/40/32/20/995403220.db2.gz QCKYFLAGXARZAV-NSISKUIASA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001082766791 995450543 /nfs/dbraw/zinc/45/05/43/995450543.db2.gz ZWEDMUBZGZFIBW-UPRAQXHNSA-N 1 3 356.445 2.605 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001082783223 995491467 /nfs/dbraw/zinc/49/14/67/995491467.db2.gz INMCAGUMENUCSW-NRSPTQNISA-N 1 3 357.542 2.929 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001082943717 995882953 /nfs/dbraw/zinc/88/29/53/995882953.db2.gz YNEFJDCMJFDHIA-AHRSYUTCSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2cnccc2C)CC[N@@H+]1C ZINC001049479526 1016001980 /nfs/dbraw/zinc/00/19/80/1016001980.db2.gz AJPMJXQGXXJBBF-BQJUDKOJSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2cnccc2C)CC[N@H+]1C ZINC001049479526 1016001993 /nfs/dbraw/zinc/00/19/93/1016001993.db2.gz AJPMJXQGXXJBBF-BQJUDKOJSA-N 1 3 370.541 2.686 20 0 FFADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084346524 996475750 /nfs/dbraw/zinc/47/57/50/996475750.db2.gz ODIQQSUXSKHCSO-ZIFCJYIRSA-N 1 3 351.510 2.533 20 0 FFADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084346524 996475754 /nfs/dbraw/zinc/47/57/54/996475754.db2.gz ODIQQSUXSKHCSO-ZIFCJYIRSA-N 1 3 351.510 2.533 20 0 FFADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(O)cc2)cc1 ZINC000679401338 1016038271 /nfs/dbraw/zinc/03/82/71/1016038271.db2.gz VEDFZMYVVJZQKS-UHFFFAOYSA-N 1 3 353.466 2.508 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C45CCC[NH+](CCC4)C5)[C@@H]3C2)cc1 ZINC001084444846 996597631 /nfs/dbraw/zinc/59/76/31/996597631.db2.gz HPQMTEHOJSMMQC-NHCUHLMSSA-N 1 3 367.537 2.904 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c(C)c1 ZINC001084662400 996773116 /nfs/dbraw/zinc/77/31/16/996773116.db2.gz IHXDLRJZCSHZDX-IOMROCGXSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c(C)c1 ZINC001084662400 996773119 /nfs/dbraw/zinc/77/31/19/996773119.db2.gz IHXDLRJZCSHZDX-IOMROCGXSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000824081434 996791026 /nfs/dbraw/zinc/79/10/26/996791026.db2.gz WHWNDHDDJYWDEE-WIYYLYMNSA-N 1 3 374.525 2.594 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001084702040 996988914 /nfs/dbraw/zinc/98/89/14/996988914.db2.gz DKSIMIKXLDVYET-NHCUHLMSSA-N 1 3 355.526 2.760 20 0 FFADHO O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084766803 997265202 /nfs/dbraw/zinc/26/52/02/997265202.db2.gz QDZCDMQKGMULIK-FGZHOGPDSA-N 1 3 367.537 2.841 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC2(C1)CC[NH2+]CC2 ZINC000844222940 997714075 /nfs/dbraw/zinc/71/40/75/997714075.db2.gz NZVRAHCOPHFYEE-HNNXBMFYSA-N 1 3 372.538 2.719 20 0 FFADHO O=C1O[C@@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CN1C1CC1 ZINC000844331152 997788568 /nfs/dbraw/zinc/78/85/68/997788568.db2.gz WREHRTDGRYLDDQ-PZJWPPBQSA-N 1 3 355.482 2.568 20 0 FFADHO O=C1O[C@@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CN1C1CC1 ZINC000844331152 997788577 /nfs/dbraw/zinc/78/85/77/997788577.db2.gz WREHRTDGRYLDDQ-PZJWPPBQSA-N 1 3 355.482 2.568 20 0 FFADHO c1cc2c(c([C@H]3CCCN3C[C@@H]3CC4(CO3)CC[NH2+]CC4)c1)OCCO2 ZINC000903726772 1016157406 /nfs/dbraw/zinc/15/74/06/1016157406.db2.gz OOMVSQVBPOYJSP-FUHWJXTLSA-N 1 3 358.482 2.753 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000844642505 998053866 /nfs/dbraw/zinc/05/38/66/998053866.db2.gz JGZXLQMXCNJBNY-RPOFVFNASA-N 1 3 359.514 2.580 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110111652 998186486 /nfs/dbraw/zinc/18/64/86/998186486.db2.gz PJWRCKDINDOVIF-AABGKKOBSA-N 1 3 365.562 2.791 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(-n4cccc4)cc3)CC[C@@H]2C1 ZINC001144241833 998189613 /nfs/dbraw/zinc/18/96/13/998189613.db2.gz ZUCAZMINHGZDRF-IFMALSPDSA-N 1 3 369.509 2.646 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(-n4cccc4)cc3)CC[C@@H]2C1 ZINC001144241833 998189619 /nfs/dbraw/zinc/18/96/19/998189619.db2.gz ZUCAZMINHGZDRF-IFMALSPDSA-N 1 3 369.509 2.646 20 0 FFADHO CC[C@@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21)OC ZINC001084940204 998213284 /nfs/dbraw/zinc/21/32/84/998213284.db2.gz LVPDLXSCTCYJNK-QYZOEREBSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@@H](C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21)OC ZINC001084940204 998213297 /nfs/dbraw/zinc/21/32/97/998213297.db2.gz LVPDLXSCTCYJNK-QYZOEREBSA-N 1 3 365.562 2.599 20 0 FFADHO COc1cc2c(cc1OC)C(C)(C)N(C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903784042 1016197115 /nfs/dbraw/zinc/19/71/15/1016197115.db2.gz JSRNIMCSPKEHRS-KRWDZBQOSA-N 1 3 374.525 2.956 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CCN(Cc3cccnc3)[C@H]2C1 ZINC001084957967 998355770 /nfs/dbraw/zinc/35/57/70/998355770.db2.gz GXMNGDUPYDUUKS-NJYVYQBISA-N 1 3 370.541 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CCN(Cc3cccnc3)[C@H]2C1 ZINC001084957967 998355780 /nfs/dbraw/zinc/35/57/80/998355780.db2.gz GXMNGDUPYDUUKS-NJYVYQBISA-N 1 3 370.541 2.767 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)cc1F ZINC001085076137 998868555 /nfs/dbraw/zinc/86/85/55/998868555.db2.gz MGRPOHSVUPBVCB-QUCCMNQESA-N 1 3 371.500 2.653 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001085201959 999153746 /nfs/dbraw/zinc/15/37/46/999153746.db2.gz HNZVTXMDYWTPED-RARDXLECSA-N 1 3 361.505 2.991 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001085201959 999153748 /nfs/dbraw/zinc/15/37/48/999153748.db2.gz HNZVTXMDYWTPED-RARDXLECSA-N 1 3 361.505 2.991 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001085258231 999268427 /nfs/dbraw/zinc/26/84/27/999268427.db2.gz XNDXGXSIIJQAMR-QZTJIDSGSA-N 1 3 356.514 2.535 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1)N1CCCC1 ZINC001085295460 999312251 /nfs/dbraw/zinc/31/22/51/999312251.db2.gz HEIMBRHMIMJWAR-RCCFBDPRSA-N 1 3 365.562 2.693 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1)[NH+]1CCCC1 ZINC001085295360 999312561 /nfs/dbraw/zinc/31/25/61/999312561.db2.gz CHYGQQJFCLVRIW-HZPDHXFCSA-N 1 3 350.532 2.535 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001085393812 999454463 /nfs/dbraw/zinc/45/44/63/999454463.db2.gz LKKVEKUEBIBUEI-NSISKUIASA-N 1 3 361.505 2.993 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001085393812 999454466 /nfs/dbraw/zinc/45/44/66/999454466.db2.gz LKKVEKUEBIBUEI-NSISKUIASA-N 1 3 361.505 2.993 20 0 FFADHO CCc1ccc(CCN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001085606761 999588296 /nfs/dbraw/zinc/58/82/96/999588296.db2.gz XFKMDZCXPAAGER-JRGCBEDISA-N 1 3 357.542 2.664 20 0 FFADHO CCc1ccc(CCN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001085606761 999588297 /nfs/dbraw/zinc/58/82/97/999588297.db2.gz XFKMDZCXPAAGER-JRGCBEDISA-N 1 3 357.542 2.664 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCc2ccc(C)cc2)CC[N@@H+]1C ZINC001085603942 999591905 /nfs/dbraw/zinc/59/19/05/999591905.db2.gz RTOQBLOEUCDVGP-PCCBWWKXSA-N 1 3 357.542 2.801 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCc2ccc(C)cc2)CC[N@H+]1C ZINC001085603942 999591909 /nfs/dbraw/zinc/59/19/09/999591909.db2.gz RTOQBLOEUCDVGP-PCCBWWKXSA-N 1 3 357.542 2.801 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(C[C@H](c4ccccc4)C(=O)N3)CC1)C2 ZINC001169140008 1000022832 /nfs/dbraw/zinc/02/28/32/1000022832.db2.gz PNURJGQKNNKLKX-FUMNGEBKSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(C[C@H](c4ccccc4)C(=O)N3)CC1)C2 ZINC001169140008 1000022834 /nfs/dbraw/zinc/02/28/34/1000022834.db2.gz PNURJGQKNNKLKX-FUMNGEBKSA-N 1 3 353.510 2.750 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2ccc(OC)cc2)CC1 ZINC001169453250 1000048991 /nfs/dbraw/zinc/04/89/91/1000048991.db2.gz YPUWUBZLDBPYMQ-KRWDZBQOSA-N 1 3 361.530 2.678 20 0 FFADHO COc1cc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)cc1O ZINC001206015034 1000067888 /nfs/dbraw/zinc/06/78/88/1000067888.db2.gz ZQAZKTAZDWUGAP-RYUDHWBXSA-N 1 3 357.292 2.970 20 0 FFADHO c1ccc2c(c1)cc(N1CCOCC1)nc2NCC12CC[NH+](CC1)CC2 ZINC001169795253 1000077812 /nfs/dbraw/zinc/07/78/12/1000077812.db2.gz MXXGBOTWMFBASL-UHFFFAOYSA-N 1 3 352.482 2.969 20 0 FFADHO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)CN2CCCC2)c1 ZINC000768160152 1000187813 /nfs/dbraw/zinc/18/78/13/1000187813.db2.gz WJSIIBJDWSIPGE-PKTZIBPZSA-N 1 3 368.521 2.987 20 0 FFADHO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@H](O)CN2CCCC2)c1 ZINC000768160152 1000187815 /nfs/dbraw/zinc/18/78/15/1000187815.db2.gz WJSIIBJDWSIPGE-PKTZIBPZSA-N 1 3 368.521 2.987 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399591 1000383494 /nfs/dbraw/zinc/38/34/94/1000383494.db2.gz OLISCMHTUPHBFD-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399591 1000383497 /nfs/dbraw/zinc/38/34/97/1000383497.db2.gz OLISCMHTUPHBFD-FUMNGEBKSA-N 1 3 363.546 2.542 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001109464229 1000510687 /nfs/dbraw/zinc/51/06/87/1000510687.db2.gz RJKGEWCJWFJRAM-FZKCQIBNSA-N 1 3 357.489 2.874 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC001109464229 1000510689 /nfs/dbraw/zinc/51/06/89/1000510689.db2.gz RJKGEWCJWFJRAM-FZKCQIBNSA-N 1 3 357.489 2.874 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109473800 1000519538 /nfs/dbraw/zinc/51/95/38/1000519538.db2.gz GGQZLYNFKZOZDX-FUMNGEBKSA-N 1 3 365.562 2.643 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109473800 1000519546 /nfs/dbraw/zinc/51/95/46/1000519546.db2.gz GGQZLYNFKZOZDX-FUMNGEBKSA-N 1 3 365.562 2.643 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccc4c(c3)CCC4)CC2)CC[N@@H+]1C ZINC001000700756 1016442846 /nfs/dbraw/zinc/44/28/46/1016442846.db2.gz WYAVTGDMDDXDQB-VGOFRKELSA-N 1 3 367.537 2.764 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccc4c(c3)CCC4)CC2)CC[N@H+]1C ZINC001000700756 1016442853 /nfs/dbraw/zinc/44/28/53/1016442853.db2.gz WYAVTGDMDDXDQB-VGOFRKELSA-N 1 3 367.537 2.764 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001091667602 1000990692 /nfs/dbraw/zinc/99/06/92/1000990692.db2.gz WNBPHBKAJOTRGU-URVUXULASA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001091667602 1000990694 /nfs/dbraw/zinc/99/06/94/1000990694.db2.gz WNBPHBKAJOTRGU-URVUXULASA-N 1 3 355.526 2.840 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860236 1001091011 /nfs/dbraw/zinc/09/10/11/1001091011.db2.gz RNGOQJQEKDNKKX-XWSJACJDSA-N 1 3 353.551 2.501 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCc5ccccc54)C[C@@]3(C)C2)CCC1 ZINC001091735249 1001171212 /nfs/dbraw/zinc/17/12/12/1001171212.db2.gz NNASVJDVRJZJCW-CBQOVEMMSA-N 1 3 367.537 2.939 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCc5ccccc54)C[C@@]3(C)C2)CCC1 ZINC001091735249 1001171216 /nfs/dbraw/zinc/17/12/16/1001171216.db2.gz NNASVJDVRJZJCW-CBQOVEMMSA-N 1 3 367.537 2.939 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCc5ccccc54)C[C@@]3(C)C2)CCC1 ZINC001091735250 1001171553 /nfs/dbraw/zinc/17/15/53/1001171553.db2.gz NNASVJDVRJZJCW-UZKOGDIHSA-N 1 3 367.537 2.939 20 0 FFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCc5ccccc54)C[C@@]3(C)C2)CCC1 ZINC001091735250 1001171559 /nfs/dbraw/zinc/17/15/59/1001171559.db2.gz NNASVJDVRJZJCW-UZKOGDIHSA-N 1 3 367.537 2.939 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1)C1CCC1 ZINC001091740831 1001187042 /nfs/dbraw/zinc/18/70/42/1001187042.db2.gz LGDQAGCCYIGWFF-OFNKIYASSA-N 1 3 369.553 2.884 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1)C1CCC1 ZINC001091740831 1001187044 /nfs/dbraw/zinc/18/70/44/1001187044.db2.gz LGDQAGCCYIGWFF-OFNKIYASSA-N 1 3 369.553 2.884 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccn3)C2)c1 ZINC001086881915 1001298993 /nfs/dbraw/zinc/29/89/93/1001298993.db2.gz REELGNMUMMNWDK-FXAWDEMLSA-N 1 3 366.509 2.832 20 0 FFADHO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H](O)CN1CCCC1 ZINC000772584159 1001424586 /nfs/dbraw/zinc/42/45/86/1001424586.db2.gz VDXUREUHHVGRSF-IBGZPJMESA-N 1 3 360.477 2.537 20 0 FFADHO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H](O)CN1CCCC1 ZINC000772584159 1001424588 /nfs/dbraw/zinc/42/45/88/1001424588.db2.gz VDXUREUHHVGRSF-IBGZPJMESA-N 1 3 360.477 2.537 20 0 FFADHO CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H](O)C[NH+]1CCCC1 ZINC000772584159 1001424591 /nfs/dbraw/zinc/42/45/91/1001424591.db2.gz VDXUREUHHVGRSF-IBGZPJMESA-N 1 3 360.477 2.537 20 0 FFADHO O=c1ccccn1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000677819757 1016508738 /nfs/dbraw/zinc/50/87/38/1016508738.db2.gz PTMIPKHXDKBQEW-UHFFFAOYSA-N 1 3 351.494 2.836 20 0 FFADHO O=c1ccccn1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000677819757 1016508747 /nfs/dbraw/zinc/50/87/47/1016508747.db2.gz PTMIPKHXDKBQEW-UHFFFAOYSA-N 1 3 351.494 2.836 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001091910061 1002062482 /nfs/dbraw/zinc/06/24/82/1002062482.db2.gz GMCQLJIJOJNMNI-PBHICJAKSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](C[C@H]1CCCC(F)(F)C1)C2 ZINC001092049719 1002318505 /nfs/dbraw/zinc/31/85/05/1002318505.db2.gz IQWBQDLAJSIVJL-DAYGRLMNSA-N 1 3 366.456 2.558 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](C[C@H]1CCCC(F)(F)C1)C2 ZINC001092049719 1002318516 /nfs/dbraw/zinc/31/85/16/1002318516.db2.gz IQWBQDLAJSIVJL-DAYGRLMNSA-N 1 3 366.456 2.558 20 0 FFADHO C[C@@H](F)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092296256 1002715789 /nfs/dbraw/zinc/71/57/89/1002715789.db2.gz HUDPXGVEYFZBGU-BSIFCXSSSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@@H](F)CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092296256 1002715799 /nfs/dbraw/zinc/71/57/99/1002715799.db2.gz HUDPXGVEYFZBGU-BSIFCXSSSA-N 1 3 361.505 2.890 20 0 FFADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2ccccc2o1 ZINC001096886300 1016676280 /nfs/dbraw/zinc/67/62/80/1016676280.db2.gz IVKPVBYTIQQDKL-YSHGAJCASA-N 1 3 353.466 2.749 20 0 FFADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2ccccc2o1 ZINC001096886300 1016676287 /nfs/dbraw/zinc/67/62/87/1016676287.db2.gz IVKPVBYTIQQDKL-YSHGAJCASA-N 1 3 353.466 2.749 20 0 FFADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc2ccccc2o1 ZINC001096886300 1016676291 /nfs/dbraw/zinc/67/62/91/1016676291.db2.gz IVKPVBYTIQQDKL-YSHGAJCASA-N 1 3 353.466 2.749 20 0 FFADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc2ccccc2o1 ZINC001096886300 1016676298 /nfs/dbraw/zinc/67/62/98/1016676298.db2.gz IVKPVBYTIQQDKL-YSHGAJCASA-N 1 3 353.466 2.749 20 0 FFADHO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCN(CC[NH+](CC)CC)CC1 ZINC001170430463 1003344956 /nfs/dbraw/zinc/34/49/56/1003344956.db2.gz BKQIXWLBQNYBRL-LJQANCHMSA-N 1 3 361.530 2.696 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C3CC[NH+](CC)CC3)cc2)CC1 ZINC001197055276 1004049145 /nfs/dbraw/zinc/04/91/45/1004049145.db2.gz GCORSJFQQXPYHC-UHFFFAOYSA-N 1 3 373.545 2.777 20 0 FFADHO CN(C)c1ccncc1C[NH2+]CCCN1CCN(C)C[C@H]1c1ccccc1 ZINC001199190147 1004862727 /nfs/dbraw/zinc/86/27/27/1004862727.db2.gz UMZANQXCVNGUTE-QFIPXVFZSA-N 1 3 367.541 2.616 20 0 FFADHO CCN(CC)CC(=O)N1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001273855469 1005127778 /nfs/dbraw/zinc/12/77/78/1005127778.db2.gz SABMUKCVCIRXKL-QGZVFWFLSA-N 1 3 363.468 2.985 20 0 FFADHO CCN(CC)CC(=O)N1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001273855469 1005127783 /nfs/dbraw/zinc/12/77/83/1005127783.db2.gz SABMUKCVCIRXKL-QGZVFWFLSA-N 1 3 363.468 2.985 20 0 FFADHO Cc1scc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1C ZINC001201480658 1005226840 /nfs/dbraw/zinc/22/68/40/1005226840.db2.gz LEMJSTXZVOVGGE-IBGZPJMESA-N 1 3 359.539 2.744 20 0 FFADHO Cc1cccn2c(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cnc12 ZINC001201633494 1005238823 /nfs/dbraw/zinc/23/88/23/1005238823.db2.gz JXRDHQQTMHEGQU-FQEVSTJZSA-N 1 3 364.493 2.889 20 0 FFADHO Cc1cccn2c(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)cnc12 ZINC001201633494 1005238828 /nfs/dbraw/zinc/23/88/28/1005238828.db2.gz JXRDHQQTMHEGQU-FQEVSTJZSA-N 1 3 364.493 2.889 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110616750 1005764368 /nfs/dbraw/zinc/76/43/68/1005764368.db2.gz PLYYVLDOTXJPPN-MKXGPGLRSA-N 1 3 353.526 2.968 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110616750 1005764370 /nfs/dbraw/zinc/76/43/70/1005764370.db2.gz PLYYVLDOTXJPPN-MKXGPGLRSA-N 1 3 353.526 2.968 20 0 FFADHO Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc(Cl)n1 ZINC000851645902 1005902922 /nfs/dbraw/zinc/90/29/22/1005902922.db2.gz OVFXEXORAPMBTE-SJORKVTESA-N 1 3 374.872 2.733 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001086712198 1005966728 /nfs/dbraw/zinc/96/67/28/1005966728.db2.gz VAQYWRDRRZSBMP-JZXOWHBKSA-N 1 3 364.559 2.700 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3cccc4c3C[NH2+]C4)cc2)CC1 ZINC000852778566 1006179177 /nfs/dbraw/zinc/17/91/77/1006179177.db2.gz PRVSRHHEHYHYKF-UHFFFAOYSA-N 1 3 350.466 2.684 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]21 ZINC001188107116 1006414081 /nfs/dbraw/zinc/41/40/81/1006414081.db2.gz HONFUOYCHWOPMN-CGTJXYLNSA-N 1 3 367.534 2.503 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21 ZINC001188107116 1006414088 /nfs/dbraw/zinc/41/40/88/1006414088.db2.gz HONFUOYCHWOPMN-CGTJXYLNSA-N 1 3 367.534 2.503 20 0 FFADHO Cn1ncc(C2CC2)c1CNCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883342343 1006757220 /nfs/dbraw/zinc/75/72/20/1006757220.db2.gz TWLKNBAHZHSXIT-UHFFFAOYSA-N 1 3 368.525 2.804 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]21)N(CC)CC ZINC001189110260 1006885766 /nfs/dbraw/zinc/88/57/66/1006885766.db2.gz ORYOJSWHRGKCQO-GVDBMIGSSA-N 1 3 357.489 2.685 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21)N(CC)CC ZINC001189110260 1006885783 /nfs/dbraw/zinc/88/57/83/1006885783.db2.gz ORYOJSWHRGKCQO-GVDBMIGSSA-N 1 3 357.489 2.685 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000855345513 1007293632 /nfs/dbraw/zinc/29/36/32/1007293632.db2.gz CEUAWCGCRCVQQU-MQNTZWLQSA-N 1 3 354.498 2.636 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000855345513 1007293640 /nfs/dbraw/zinc/29/36/40/1007293640.db2.gz CEUAWCGCRCVQQU-MQNTZWLQSA-N 1 3 354.498 2.636 20 0 FFADHO COc1ccc(/C=C(/C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000855347082 1007295605 /nfs/dbraw/zinc/29/56/05/1007295605.db2.gz SILPAEATNXRGFS-IRVMHKCDSA-N 1 3 365.493 2.626 20 0 FFADHO COc1ccc(/C=C(/C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000855347082 1007295613 /nfs/dbraw/zinc/29/56/13/1007295613.db2.gz SILPAEATNXRGFS-IRVMHKCDSA-N 1 3 365.493 2.626 20 0 FFADHO N[C@@H](CC1CC1)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000884208335 1007315765 /nfs/dbraw/zinc/31/57/65/1007315765.db2.gz WVHLYKIGJCOUDF-SFHVURJKSA-N 1 3 358.486 2.567 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001189891014 1007360786 /nfs/dbraw/zinc/36/07/86/1007360786.db2.gz NAHVNMCSGYVMHJ-XJTQXBNASA-N 1 3 355.526 2.964 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001189891014 1007360796 /nfs/dbraw/zinc/36/07/96/1007360796.db2.gz NAHVNMCSGYVMHJ-XJTQXBNASA-N 1 3 355.526 2.964 20 0 FFADHO C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3F)C2)CC1 ZINC001086793018 1007407139 /nfs/dbraw/zinc/40/71/39/1007407139.db2.gz XDJICVMGLLHTSD-GOEBONIOSA-N 1 3 365.468 2.681 20 0 FFADHO CCCCCCO[C@@H](C)C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817656323 1007708352 /nfs/dbraw/zinc/70/83/52/1007708352.db2.gz FRCDGQBKXDZINZ-IBGZPJMESA-N 1 3 367.578 2.990 20 0 FFADHO CCCCCCO[C@@H](C)C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817656323 1007708358 /nfs/dbraw/zinc/70/83/58/1007708358.db2.gz FRCDGQBKXDZINZ-IBGZPJMESA-N 1 3 367.578 2.990 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000817932150 1007814182 /nfs/dbraw/zinc/81/41/82/1007814182.db2.gz RIERYZDTMGPVEK-ZLGUVYLKSA-N 1 3 368.477 2.886 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCC[NH2+]1 ZINC000817949365 1007822524 /nfs/dbraw/zinc/82/25/24/1007822524.db2.gz JVKVMAOLXZFDQE-SJORKVTESA-N 1 3 357.498 2.963 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000818956882 1007993580 /nfs/dbraw/zinc/99/35/80/1007993580.db2.gz ATNTWENGRHIKMJ-JOCHJYFZSA-N 1 3 353.510 2.647 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000818958085 1007996123 /nfs/dbraw/zinc/99/61/23/1007996123.db2.gz JGRGDJCKKHNCMD-QFIPXVFZSA-N 1 3 371.500 2.786 20 0 FFADHO COc1cnccc1C[NH+]1CCC2(C[C@H](N(C)Cc3ccco3)CO2)CC1 ZINC001206458488 1032290784 /nfs/dbraw/zinc/29/07/84/1032290784.db2.gz NIFPGVYELTWTQP-SFHVURJKSA-N 1 3 371.481 2.939 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC/C=C\c1ccc(F)cc1 ZINC001178205730 1008906731 /nfs/dbraw/zinc/90/67/31/1008906731.db2.gz SLYKGHXCTNZKGV-AVKJRPAMSA-N 1 3 369.484 2.718 20 0 FFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)N1CCc2sccc2C1 ZINC000887131536 1009042547 /nfs/dbraw/zinc/04/25/47/1009042547.db2.gz ZWCKANWOXMMFRP-MRXNPFEDSA-N 1 3 370.522 2.629 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)N1CCCC1 ZINC001180583355 1009759461 /nfs/dbraw/zinc/75/94/61/1009759461.db2.gz PGXGGGFDAHYLHV-GIVPXCGWSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)N1CCCC1 ZINC001180583355 1009759466 /nfs/dbraw/zinc/75/94/66/1009759466.db2.gz PGXGGGFDAHYLHV-GIVPXCGWSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](NCC(C)(C)C[NH+]1CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862343517 1009798433 /nfs/dbraw/zinc/79/84/33/1009798433.db2.gz QWPKNBFWHVANJX-DLBZAZTESA-N 1 3 369.550 2.722 20 0 FFADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862343517 1009798445 /nfs/dbraw/zinc/79/84/45/1009798445.db2.gz QWPKNBFWHVANJX-DLBZAZTESA-N 1 3 369.550 2.722 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC([NH2+]C4CCC4)CC3)cc2)CC1 ZINC000889832042 1010144892 /nfs/dbraw/zinc/14/48/92/1010144892.db2.gz DBFAYOSIFNCDLN-UHFFFAOYSA-N 1 3 370.541 2.575 20 0 FFADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000863550292 1010249738 /nfs/dbraw/zinc/24/97/38/1010249738.db2.gz SXGUXDMWRQGXPG-VQTJNVASSA-N 1 3 351.450 2.597 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC001093824030 1010595714 /nfs/dbraw/zinc/59/57/14/1010595714.db2.gz DBHGEPDHPGEWGA-SUYBPPKGSA-N 1 3 369.962 2.926 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093824164 1010595791 /nfs/dbraw/zinc/59/57/91/1010595791.db2.gz JBOGIMVZWRVSPF-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001093824476 1010597636 /nfs/dbraw/zinc/59/76/36/1010597636.db2.gz WWHKFMPMFINFMM-VMRPVKRXSA-N 1 3 368.525 2.692 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001093835916 1010606579 /nfs/dbraw/zinc/60/65/79/1010606579.db2.gz PBWPWSVXRGOPIQ-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1csc(CNC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001093835916 1010606584 /nfs/dbraw/zinc/60/65/84/1010606584.db2.gz PBWPWSVXRGOPIQ-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1)N(C)C ZINC001093839180 1010609303 /nfs/dbraw/zinc/60/93/03/1010609303.db2.gz BFSZCZFLAKCXKG-YHYVQYDKSA-N 1 3 371.569 2.946 20 0 FFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c1 ZINC001094040944 1010803403 /nfs/dbraw/zinc/80/34/03/1010803403.db2.gz QQRLHDPAHGVLPD-LVCYWYKZSA-N 1 3 357.542 2.917 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001094041033 1010803947 /nfs/dbraw/zinc/80/39/47/1010803947.db2.gz UTAIJEYPBJWELM-VAMGGRTRSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001094075174 1010834589 /nfs/dbraw/zinc/83/45/89/1010834589.db2.gz YVTWYRUORDEHBK-AKCHCHLHSA-N 1 3 370.472 2.853 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C)C1 ZINC001094088123 1010847381 /nfs/dbraw/zinc/84/73/81/1010847381.db2.gz CGJHMNDCYVLCBE-RLLQIKCJSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C/C=C/Cl)CC3)CC[N@@H+]1C ZINC001094497844 1011159798 /nfs/dbraw/zinc/15/97/98/1011159798.db2.gz OIOULKPBZURWRE-FVQTYIIQSA-N 1 3 353.938 2.830 20 0 FFADHO C[C@H]1C[C@@H](C(=O)NC[C@]23CCC[C@H]2N(C/C=C/Cl)CC3)CC[N@H+]1C ZINC001094497844 1011159800 /nfs/dbraw/zinc/15/98/00/1011159800.db2.gz OIOULKPBZURWRE-FVQTYIIQSA-N 1 3 353.938 2.830 20 0 FFADHO CN(C)[C@@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)Cc1ccccc1 ZINC000868188815 1011195354 /nfs/dbraw/zinc/19/53/54/1011195354.db2.gz NTSAUVJRTVNIRK-HSALFYBXSA-N 1 3 352.482 2.796 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@]12C[C@H]1CCCC2 ZINC000868211239 1011201639 /nfs/dbraw/zinc/20/16/39/1011201639.db2.gz JHDRRITXKFPWRS-FVJLSDCUSA-N 1 3 362.562 2.813 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001274396633 1011422065 /nfs/dbraw/zinc/42/20/65/1011422065.db2.gz IGUJBBVCLTWMGL-RXVVDRJESA-N 1 3 358.530 2.560 20 0 FFADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001274396633 1011422072 /nfs/dbraw/zinc/42/20/72/1011422072.db2.gz IGUJBBVCLTWMGL-RXVVDRJESA-N 1 3 358.530 2.560 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001171946864 1011553678 /nfs/dbraw/zinc/55/36/78/1011553678.db2.gz ZYWRVRHGYXRVDT-WSUVESLISA-N 1 3 352.519 2.731 20 0 FFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCC[C@@H]2CCOC2)CC1 ZINC000645829420 1011607152 /nfs/dbraw/zinc/60/71/52/1011607152.db2.gz BESZDULHYQNUCT-LJQANCHMSA-N 1 3 361.530 2.566 20 0 FFADHO OCCN1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172072395 1011613292 /nfs/dbraw/zinc/61/32/92/1011613292.db2.gz LZIJVDPCPWFSCK-KOUNCHBCSA-N 1 3 357.542 2.618 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(OCCN3CCOCC3)c1)C2 ZINC001172101210 1011623448 /nfs/dbraw/zinc/62/34/48/1011623448.db2.gz XKUOQJNQXSQYAW-WKCHPHFGSA-N 1 3 373.541 2.503 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(OCCN3CCOCC3)c1)C2 ZINC001172101210 1011623455 /nfs/dbraw/zinc/62/34/55/1011623455.db2.gz XKUOQJNQXSQYAW-WKCHPHFGSA-N 1 3 373.541 2.503 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(OCCN3CCOCC3)c1)C2 ZINC001172101210 1011623461 /nfs/dbraw/zinc/62/34/61/1011623461.db2.gz XKUOQJNQXSQYAW-WKCHPHFGSA-N 1 3 373.541 2.503 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000646232038 1011809940 /nfs/dbraw/zinc/80/99/40/1011809940.db2.gz HQURHYPKMMOQBW-UHFFFAOYSA-N 1 3 366.509 2.871 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221962546 1032587902 /nfs/dbraw/zinc/58/79/02/1032587902.db2.gz JOBWAXGEGBJLNY-RTBURBONSA-N 1 3 363.571 2.945 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2c[nH]c3cc(Cl)ccc23)C1=O ZINC001275163077 1012021814 /nfs/dbraw/zinc/02/18/14/1012021814.db2.gz YJGBVNHBOKZBBP-FQEVSTJZSA-N 1 3 374.916 2.950 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001299471504 1012146924 /nfs/dbraw/zinc/14/69/24/1012146924.db2.gz RADBFKQPSZHRKN-KOUHRCEDSA-N 1 3 373.541 2.513 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001299471504 1012146936 /nfs/dbraw/zinc/14/69/36/1012146936.db2.gz RADBFKQPSZHRKN-KOUHRCEDSA-N 1 3 373.541 2.513 20 0 FFADHO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+](CCCN3CCCCC3)CC2)C1=O ZINC001275344063 1012343268 /nfs/dbraw/zinc/34/32/68/1012343268.db2.gz WWTCRTHEMGYWTG-WIYYLYMNSA-N 1 3 363.546 2.545 20 0 FFADHO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+](CCCN3CCCCC3)CC2)C1=O ZINC001275344063 1012343272 /nfs/dbraw/zinc/34/32/72/1012343272.db2.gz WWTCRTHEMGYWTG-WIYYLYMNSA-N 1 3 363.546 2.545 20 0 FFADHO COCCN(C)c1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647249110 1012423685 /nfs/dbraw/zinc/42/36/85/1012423685.db2.gz BNESLYFKCZRHEU-RTWAWAEBSA-N 1 3 368.525 2.599 20 0 FFADHO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000647326623 1012442401 /nfs/dbraw/zinc/44/24/01/1012442401.db2.gz IVAJDFVGVXSEQS-HSALFYBXSA-N 1 3 353.514 2.638 20 0 FFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(CC(=O)OCc3ccccc3)CC2)C1 ZINC001173463425 1012633360 /nfs/dbraw/zinc/63/33/60/1012633360.db2.gz HTJGLRWVJVFPOJ-SFTDATJTSA-N 1 3 373.541 2.657 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978569 1012654368 /nfs/dbraw/zinc/65/43/68/1012654368.db2.gz UYFLQYWBVPQFQW-JBACZVJFSA-N 1 3 357.542 2.754 20 0 FFADHO CC[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1Cc1ccccc1 ZINC000647989963 1012658547 /nfs/dbraw/zinc/65/85/47/1012658547.db2.gz KCZRKQWFNXUIKH-VJBWXMMDSA-N 1 3 367.537 2.514 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000795159798 1012700775 /nfs/dbraw/zinc/70/07/75/1012700775.db2.gz WUTIUKLKLQNCLW-FQEVSTJZSA-N 1 3 374.598 2.990 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000795159798 1012700794 /nfs/dbraw/zinc/70/07/94/1012700794.db2.gz WUTIUKLKLQNCLW-FQEVSTJZSA-N 1 3 374.598 2.990 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173742492 1012934178 /nfs/dbraw/zinc/93/41/78/1012934178.db2.gz KROBENZPQXZDFK-DLBZAZTESA-N 1 3 374.920 2.846 20 0 FFADHO c1cc(CN2CCC3(C2)CC[NH+]([C@@H]2CCC[C@@H](n4ncnn4)C2)CC3)co1 ZINC001173760348 1012949405 /nfs/dbraw/zinc/94/94/05/1012949405.db2.gz IQQGFTNIJYGIOT-RTBURBONSA-N 1 3 370.501 2.738 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccnn1C1CCC1 ZINC000924625575 1017381526 /nfs/dbraw/zinc/38/15/26/1017381526.db2.gz HNWDGDAMMRYVPV-INIZCTEOSA-N 1 3 354.502 2.606 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000924695415 1017426044 /nfs/dbraw/zinc/42/60/44/1017426044.db2.gz RVFNVRRFSWHMLC-OSFYOIPJSA-N 1 3 357.542 2.871 20 0 FFADHO COc1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1OCCO ZINC000924730908 1017453837 /nfs/dbraw/zinc/45/38/37/1017453837.db2.gz VDEMNHZMEMIDPZ-INIZCTEOSA-N 1 3 358.482 2.979 20 0 FFADHO [NH3+]C1(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CCC1 ZINC000828443366 1032702506 /nfs/dbraw/zinc/70/25/06/1032702506.db2.gz DKHBHFFFYMIWHQ-UHFFFAOYSA-N 1 3 358.486 2.711 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000924949732 1017559328 /nfs/dbraw/zinc/55/93/28/1017559328.db2.gz HHNIYACFRJDCPL-RZUBCFFCSA-N 1 3 358.574 2.513 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001097580626 1017661681 /nfs/dbraw/zinc/66/16/81/1017661681.db2.gz HOUGADNPJWETMC-RSPOEFSDSA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)[C@@H](C1CC1)N1CCCC1 ZINC001097580626 1017661687 /nfs/dbraw/zinc/66/16/87/1017661687.db2.gz HOUGADNPJWETMC-RSPOEFSDSA-N 1 3 373.566 2.887 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)[C@@H](C1CC1)N1CCCC1 ZINC001097580626 1017661693 /nfs/dbraw/zinc/66/16/93/1017661693.db2.gz HOUGADNPJWETMC-RSPOEFSDSA-N 1 3 373.566 2.887 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCNC[C@H]3C3CCCC3)CC2)nc(C)n1 ZINC000925543837 1017779917 /nfs/dbraw/zinc/77/99/17/1017779917.db2.gz XBCFVTVZIHFUSV-VQTJNVASSA-N 1 3 357.546 2.820 20 0 FFADHO [NH3+]CCC[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1 ZINC000925563875 1017787432 /nfs/dbraw/zinc/78/74/32/1017787432.db2.gz GDWDMHZZBCQBDF-NRFANRHFSA-N 1 3 367.493 2.729 20 0 FFADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000925808922 1017854791 /nfs/dbraw/zinc/85/47/91/1017854791.db2.gz NTISRYDRQIBPKU-QGZVFWFLSA-N 1 3 366.509 2.901 20 0 FFADHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000925812943 1017858600 /nfs/dbraw/zinc/85/86/00/1017858600.db2.gz DMXYWONXDBHGIZ-HNNXBMFYSA-N 1 3 366.465 2.789 20 0 FFADHO c1nnc([C@@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C2CCCCC2)[nH]1 ZINC000925819001 1017860228 /nfs/dbraw/zinc/86/02/28/1017860228.db2.gz WZTXXITVNHLYDQ-FQEVSTJZSA-N 1 3 368.529 2.621 20 0 FFADHO Cc1c([C@@H](C)NCCCCCN2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000925847491 1017867413 /nfs/dbraw/zinc/86/74/13/1017867413.db2.gz YJSFEZZMLJVOLN-GOSISDBHSA-N 1 3 370.545 2.610 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)CC1 ZINC001097775502 1017916051 /nfs/dbraw/zinc/91/60/51/1017916051.db2.gz MEAWARFNOIKJFX-VSKRKVRLSA-N 1 3 367.537 2.739 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)c1 ZINC001097775939 1017916342 /nfs/dbraw/zinc/91/63/42/1017916342.db2.gz QGWSHRORDCYWOW-NJYVYQBISA-N 1 3 355.526 2.867 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)CC1 ZINC000680328181 1017930266 /nfs/dbraw/zinc/93/02/66/1017930266.db2.gz FDEMIZLAIIGZSW-UHFFFAOYSA-N 1 3 373.570 2.924 20 0 FFADHO O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052989336 1018149715 /nfs/dbraw/zinc/14/97/15/1018149715.db2.gz AGMDRSZHBPUWPO-UVUJQTEASA-N 1 3 371.569 2.972 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001222089216 1032750499 /nfs/dbraw/zinc/75/04/99/1032750499.db2.gz DZOHPGUOMOFJQF-NHCUHLMSSA-N 1 3 355.526 2.985 20 0 FFADHO COc1ccc(CN2CCNC3(CC[NH2+]CC3)C2)cc1OC1CCCC1 ZINC001222094278 1032754897 /nfs/dbraw/zinc/75/48/97/1032754897.db2.gz AYPKPDFUVPTVRI-UHFFFAOYSA-N 1 3 359.514 2.544 20 0 FFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001137446631 1018488572 /nfs/dbraw/zinc/48/85/72/1018488572.db2.gz DAWJJPRAOTZCKJ-BGYRXZFFSA-N 1 3 371.525 2.973 20 0 FFADHO CN1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001137446631 1018488577 /nfs/dbraw/zinc/48/85/77/1018488577.db2.gz DAWJJPRAOTZCKJ-BGYRXZFFSA-N 1 3 371.525 2.973 20 0 FFADHO COC(=O)c1cc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000689130186 1018744264 /nfs/dbraw/zinc/74/42/64/1018744264.db2.gz OFMYVKCWXGWWBI-UHFFFAOYSA-N 1 3 374.506 2.651 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(Cc4cccc(F)c4)C3)C2)CC[N@@H+]1C ZINC001041296536 1018769511 /nfs/dbraw/zinc/76/95/11/1018769511.db2.gz IOISWGGZYMVHEN-BSIFCXSSSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(Cc4cccc(F)c4)C3)C2)CC[N@H+]1C ZINC001041296536 1018769524 /nfs/dbraw/zinc/76/95/24/1018769524.db2.gz IOISWGGZYMVHEN-BSIFCXSSSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CC3=CCCCC3)CCC2(F)F)CC[N@@H+]1C ZINC001046941092 1018799606 /nfs/dbraw/zinc/79/96/06/1018799606.db2.gz GTYJZIPKHSOVMJ-BPQIPLTHSA-N 1 3 369.500 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CC3=CCCCC3)CCC2(F)F)CC[N@H+]1C ZINC001046941092 1018799619 /nfs/dbraw/zinc/79/96/19/1018799619.db2.gz GTYJZIPKHSOVMJ-BPQIPLTHSA-N 1 3 369.500 2.900 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H]2CCCCO2)cc1 ZINC001098043810 1019134168 /nfs/dbraw/zinc/13/41/68/1019134168.db2.gz WZQHMFCLUONWDD-NCYKPQTJSA-N 1 3 371.525 2.652 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1 ZINC001110954702 1019186611 /nfs/dbraw/zinc/18/66/11/1019186611.db2.gz VJUQPGHJCVHJNU-AQNXPRMDSA-N 1 3 355.526 2.867 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCc3ccccc32)CC1 ZINC001110956635 1019226881 /nfs/dbraw/zinc/22/68/81/1019226881.db2.gz QZYOXFDMBBBTBW-LMCOJAPRSA-N 1 3 353.510 2.737 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)C1 ZINC001096015385 1019900946 /nfs/dbraw/zinc/90/09/46/1019900946.db2.gz DMWSSIRZRAKQPH-YLAKUSLOSA-N 1 3 351.510 2.721 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CC2)C1 ZINC001096015385 1019900949 /nfs/dbraw/zinc/90/09/49/1019900949.db2.gz DMWSSIRZRAKQPH-YLAKUSLOSA-N 1 3 351.510 2.721 20 0 FFADHO Cc1cc(CN2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)cc(C)c1F ZINC001276385297 1020123278 /nfs/dbraw/zinc/12/32/78/1020123278.db2.gz JXCXQSRDGSTYSQ-SFHVURJKSA-N 1 3 361.505 2.722 20 0 FFADHO COC(=O)c1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000902809422 1020490490 /nfs/dbraw/zinc/49/04/90/1020490490.db2.gz SFZRHJRNIHFWJR-IRXDYDNUSA-N 1 3 360.498 2.933 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@@H+]1C ZINC001046329463 1020592864 /nfs/dbraw/zinc/59/28/64/1020592864.db2.gz PTYQSOBLKVBXIF-BSLALVQMSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@H+]1C ZINC001046329463 1020592874 /nfs/dbraw/zinc/59/28/74/1020592874.db2.gz PTYQSOBLKVBXIF-BSLALVQMSA-N 1 3 355.526 2.985 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903068651 1020660925 /nfs/dbraw/zinc/66/09/25/1020660925.db2.gz JTLSUDHOCKIVOI-UTKZUKDTSA-N 1 3 363.521 2.909 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccc(Cl)cc3F)[C@@H]2C)CC[N@@H+]1C ZINC001074661642 1020661732 /nfs/dbraw/zinc/66/17/32/1020661732.db2.gz CVWWVBXIQSGNKA-RGFKIIKPSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccc(Cl)cc3F)[C@@H]2C)CC[N@H+]1C ZINC001074661642 1020661739 /nfs/dbraw/zinc/66/17/39/1020661739.db2.gz CVWWVBXIQSGNKA-RGFKIIKPSA-N 1 3 367.896 2.898 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cccc(Cl)n3)[C@@H]2C)CC[N@@H+]1C ZINC001074663075 1020663446 /nfs/dbraw/zinc/66/34/46/1020663446.db2.gz DRLYNJPBWGPDFE-QSPRXWTASA-N 1 3 364.921 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cccc(Cl)n3)[C@@H]2C)CC[N@H+]1C ZINC001074663075 1020663451 /nfs/dbraw/zinc/66/34/51/1020663451.db2.gz DRLYNJPBWGPDFE-QSPRXWTASA-N 1 3 364.921 2.544 20 0 FFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CC[NH+](C)CC2)C3)c1 ZINC001096104950 1020678486 /nfs/dbraw/zinc/67/84/86/1020678486.db2.gz UISFLZNVAKINFY-HKBOAZHASA-N 1 3 355.526 2.948 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C2CC2)cc1)C12CC[NH+](CC1)C2 ZINC001098225220 1020746934 /nfs/dbraw/zinc/74/69/34/1020746934.db2.gz ZOMYFBKRSMGOQC-NJYVYQBISA-N 1 3 365.521 2.881 20 0 FFADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2ccccc2o1 ZINC001098401887 1020877146 /nfs/dbraw/zinc/87/71/46/1020877146.db2.gz UIQZRWVKDQEMAT-QRQLOZEOSA-N 1 3 353.466 2.750 20 0 FFADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2ccccc2o1 ZINC001098401887 1020877156 /nfs/dbraw/zinc/87/71/56/1020877156.db2.gz UIQZRWVKDQEMAT-QRQLOZEOSA-N 1 3 353.466 2.750 20 0 FFADHO O=C1N[C@@H](C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CO1 ZINC000932768456 1020895088 /nfs/dbraw/zinc/89/50/88/1020895088.db2.gz AMXUBRYNIOUXBV-HXUWFJFHSA-N 1 3 357.498 2.993 20 0 FFADHO O=C1N[C@H](C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CO1 ZINC000932768455 1020895203 /nfs/dbraw/zinc/89/52/03/1020895203.db2.gz AMXUBRYNIOUXBV-FQEVSTJZSA-N 1 3 357.498 2.993 20 0 FFADHO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@@H]1C ZINC000934165948 1021155135 /nfs/dbraw/zinc/15/51/35/1021155135.db2.gz JGVNLPXLJXUYNY-UAFMIMERSA-N 1 3 367.578 2.701 20 0 FFADHO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@H]1C ZINC000934165948 1021155139 /nfs/dbraw/zinc/15/51/39/1021155139.db2.gz JGVNLPXLJXUYNY-UAFMIMERSA-N 1 3 367.578 2.701 20 0 FFADHO COc1ccccc1N1CCC[N@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000934178221 1021159167 /nfs/dbraw/zinc/15/91/67/1021159167.db2.gz RJJQEXBGLGZZMH-UHFFFAOYSA-N 1 3 374.573 2.623 20 0 FFADHO COc1ccccc1N1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000934178221 1021159172 /nfs/dbraw/zinc/15/91/72/1021159172.db2.gz RJJQEXBGLGZZMH-UHFFFAOYSA-N 1 3 374.573 2.623 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C3CC[NH+](C)CC3)C2)c(C)n1 ZINC001099010530 1021587876 /nfs/dbraw/zinc/58/78/76/1021587876.db2.gz GZVYHACGOYCQRO-UNMCSNQZSA-N 1 3 370.541 2.511 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](CCc3cccs3)C2)C1=O ZINC001276368614 1022016466 /nfs/dbraw/zinc/01/64/66/1022016466.db2.gz AGTGUJRQHCAGEZ-OAQYLSRUSA-N 1 3 369.534 2.843 20 0 FFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](CCc3cccs3)C2)C1=O ZINC001276368614 1022016483 /nfs/dbraw/zinc/01/64/83/1022016483.db2.gz AGTGUJRQHCAGEZ-OAQYLSRUSA-N 1 3 369.534 2.843 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001099317972 1022285770 /nfs/dbraw/zinc/28/57/70/1022285770.db2.gz ZJWWFJVQRVMFAZ-OAGGEKHMSA-N 1 3 361.452 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccccc3OC3CC3)C2)CC[N@@H+]1C ZINC001018873142 1022361838 /nfs/dbraw/zinc/36/18/38/1022361838.db2.gz LWQCVOJFJUDJAZ-YSIASYRMSA-N 1 3 371.525 2.649 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccccc3OC3CC3)C2)CC[N@H+]1C ZINC001018873142 1022361851 /nfs/dbraw/zinc/36/18/51/1022361851.db2.gz LWQCVOJFJUDJAZ-YSIASYRMSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197049 1022368458 /nfs/dbraw/zinc/36/84/58/1022368458.db2.gz GEXWYEBQKQJFED-DWIQEWEKSA-N 1 3 371.525 2.580 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc(C)ns2)C1)N(C)C ZINC001099453384 1022552492 /nfs/dbraw/zinc/55/24/92/1022552492.db2.gz JJCOJUWBWMGFPX-WDYCEAGBSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc(C)c1OCCO ZINC001222609797 1033071432 /nfs/dbraw/zinc/07/14/32/1033071432.db2.gz RGLVYMDRHJBMBR-NRFANRHFSA-N 1 3 366.505 2.864 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc(C)c1OCCO ZINC001222609797 1033071450 /nfs/dbraw/zinc/07/14/50/1033071450.db2.gz RGLVYMDRHJBMBR-NRFANRHFSA-N 1 3 366.505 2.864 20 0 FFADHO CCOC(=O)Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222614374 1033077647 /nfs/dbraw/zinc/07/76/47/1033077647.db2.gz DOTUKPNHUYIOSL-OAQYLSRUSA-N 1 3 364.489 2.981 20 0 FFADHO CCOC(=O)Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222614374 1033077650 /nfs/dbraw/zinc/07/76/50/1033077650.db2.gz DOTUKPNHUYIOSL-OAQYLSRUSA-N 1 3 364.489 2.981 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1cccc(OC)c1 ZINC001119466644 1022789095 /nfs/dbraw/zinc/78/90/95/1022789095.db2.gz BHXVUKNPUSTOOV-HSALFYBXSA-N 1 3 374.529 2.614 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)OC[C@@H]3Cc3ccccc3)C[C@H]2C1 ZINC001120358442 1023313694 /nfs/dbraw/zinc/31/36/94/1023313694.db2.gz AIQHDPOZZCSTJB-WTGUMLROSA-N 1 3 357.498 2.670 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001120621437 1023390955 /nfs/dbraw/zinc/39/09/55/1023390955.db2.gz BEWJXHIXCVUXMK-PXNSSMCTSA-N 1 3 358.530 2.844 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001120621437 1023390966 /nfs/dbraw/zinc/39/09/66/1023390966.db2.gz BEWJXHIXCVUXMK-PXNSSMCTSA-N 1 3 358.530 2.844 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)cc21 ZINC001121989695 1024242774 /nfs/dbraw/zinc/24/27/74/1024242774.db2.gz XGSRNNXZJXRBNL-GOSISDBHSA-N 1 3 367.497 2.957 20 0 FFADHO N[C@@H](C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)no1)C1CC[NH2+]CC1 ZINC001218560485 1033222139 /nfs/dbraw/zinc/22/21/39/1033222139.db2.gz RDEVLSWIXMLYBX-OAHLLOKOSA-N 1 3 368.359 2.626 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001101400119 1024636765 /nfs/dbraw/zinc/63/67/65/1024636765.db2.gz HNFLJOYSWZGKNH-IRLDBZIGSA-N 1 3 357.542 2.741 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001101400119 1024636768 /nfs/dbraw/zinc/63/67/68/1024636768.db2.gz HNFLJOYSWZGKNH-IRLDBZIGSA-N 1 3 357.542 2.741 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000637719235 1025545272 /nfs/dbraw/zinc/54/52/72/1025545272.db2.gz LORIEHDCPAUBPR-GHTZIAJQSA-N 1 3 372.557 2.941 20 0 FFADHO CC(C)CC[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000638115852 1025710131 /nfs/dbraw/zinc/71/01/31/1025710131.db2.gz JXTARHPVIOSRJI-HKUYNNGSSA-N 1 3 361.530 2.766 20 0 FFADHO CCc1nocc1CN1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102356782 1025797943 /nfs/dbraw/zinc/79/79/43/1025797943.db2.gz ZGZKMKPMVOLXMN-MDZRGWNJSA-N 1 3 364.534 2.542 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1F ZINC001102368305 1025828104 /nfs/dbraw/zinc/82/81/04/1025828104.db2.gz PARVLQKBYCECKN-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@@H]3C)[C@H](C)C2)cc1F ZINC001102368305 1025828122 /nfs/dbraw/zinc/82/81/22/1025828122.db2.gz PARVLQKBYCECKN-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638553155 1025887393 /nfs/dbraw/zinc/88/73/93/1025887393.db2.gz RIMIOSSMWHDPAD-HNNXBMFYSA-N 1 3 362.468 2.876 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001102475236 1026050705 /nfs/dbraw/zinc/05/07/05/1026050705.db2.gz FKILHNQFEWZTMJ-NVXWUHKLSA-N 1 3 367.484 2.533 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001102475236 1026050722 /nfs/dbraw/zinc/05/07/22/1026050722.db2.gz FKILHNQFEWZTMJ-NVXWUHKLSA-N 1 3 367.484 2.533 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1C ZINC001102475668 1026056807 /nfs/dbraw/zinc/05/68/07/1026056807.db2.gz YWQFPIACZBJSHX-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(C)c2)C[C@H]1C ZINC001102475668 1026056812 /nfs/dbraw/zinc/05/68/12/1026056812.db2.gz YWQFPIACZBJSHX-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CN(Cc1ccccc1)[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)C1CC1 ZINC000639060796 1026148402 /nfs/dbraw/zinc/14/84/02/1026148402.db2.gz JHWFLTUWHDVPOW-OAQYLSRUSA-N 1 3 359.558 2.722 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](N(C)[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)CC2 ZINC000639173461 1026205641 /nfs/dbraw/zinc/20/56/41/1026205641.db2.gz YYORJWZWNYXMQP-QUCCMNQESA-N 1 3 373.541 2.791 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](N(C)[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)CC2 ZINC000639173461 1026205653 /nfs/dbraw/zinc/20/56/53/1026205653.db2.gz YYORJWZWNYXMQP-QUCCMNQESA-N 1 3 373.541 2.791 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1CC(C[N@@H+]1CCC[C@@H](CO)[C@H]1C)c1ccccc1 ZINC000639677325 1026428473 /nfs/dbraw/zinc/42/84/73/1026428473.db2.gz LRCGSDYCTGWNPD-WKDRNLAYSA-N 1 3 374.569 2.956 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1CC(C[N@H+]1CCC[C@@H](CO)[C@H]1C)c1ccccc1 ZINC000639677325 1026428477 /nfs/dbraw/zinc/42/84/77/1026428477.db2.gz LRCGSDYCTGWNPD-WKDRNLAYSA-N 1 3 374.569 2.956 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682041 1026432448 /nfs/dbraw/zinc/43/24/48/1026432448.db2.gz FMGHSIALAVQPMV-SFHVURJKSA-N 1 3 366.465 2.515 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CC1 ZINC000639791825 1026471964 /nfs/dbraw/zinc/47/19/64/1026471964.db2.gz LTXAZWMAPOOICU-HXUWFJFHSA-N 1 3 367.541 2.835 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CC1 ZINC000639791825 1026471971 /nfs/dbraw/zinc/47/19/71/1026471971.db2.gz LTXAZWMAPOOICU-HXUWFJFHSA-N 1 3 367.541 2.835 20 0 FFADHO C[C@@H]1CC[N@@H+](C[C@@H](CN2CC[C@H](C)[C@@H](CO)C2)c2ccccc2)C[C@@H]1CO ZINC000639884109 1026501752 /nfs/dbraw/zinc/50/17/52/1026501752.db2.gz CHTKHHUFEVYWQT-AEDQLDONSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CC[N@H+](C[C@@H](CN2CC[C@H](C)[C@@H](CO)C2)c2ccccc2)C[C@@H]1CO ZINC000639884109 1026501764 /nfs/dbraw/zinc/50/17/64/1026501764.db2.gz CHTKHHUFEVYWQT-AEDQLDONSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CCN(C[C@@H](C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c2ccccc2)C[C@@H]1CO ZINC000639884109 1026501771 /nfs/dbraw/zinc/50/17/71/1026501771.db2.gz CHTKHHUFEVYWQT-AEDQLDONSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CCN(C[C@@H](C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c2ccccc2)C[C@@H]1CO ZINC000639884109 1026501776 /nfs/dbraw/zinc/50/17/76/1026501776.db2.gz CHTKHHUFEVYWQT-AEDQLDONSA-N 1 3 374.569 2.671 20 0 FFADHO CC(=O)OCc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)o1 ZINC001141785402 1026982013 /nfs/dbraw/zinc/98/20/13/1026982013.db2.gz PYHJJLWRVJARBF-MOPGFXCFSA-N 1 3 369.465 2.692 20 0 FFADHO CC(=O)OCc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)o1 ZINC001141785402 1026982018 /nfs/dbraw/zinc/98/20/18/1026982018.db2.gz PYHJJLWRVJARBF-MOPGFXCFSA-N 1 3 369.465 2.692 20 0 FFADHO Cc1cnc(N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)nc1C1C[NH2+]C1 ZINC001158522208 1027051549 /nfs/dbraw/zinc/05/15/49/1027051549.db2.gz WCAFLZZABIOIHB-IAGOWNOFSA-N 1 3 351.498 2.571 20 0 FFADHO N[C@@H](CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)c1cccc(C(F)(F)F)c1 ZINC001158578928 1027066642 /nfs/dbraw/zinc/06/66/42/1027066642.db2.gz NCLLNGUPAMUYIW-YUELXQCFSA-N 1 3 373.394 2.631 20 0 FFADHO CN1CCC(N(c2ccc(-c3ccc(F)cc3)nn2)C2CC[NH2+]CC2)CC1 ZINC001158589134 1027070050 /nfs/dbraw/zinc/07/00/50/1027070050.db2.gz LJIPLVUFFIPBOE-UHFFFAOYSA-N 1 3 369.488 2.935 20 0 FFADHO C[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378695 1027351389 /nfs/dbraw/zinc/35/13/89/1027351389.db2.gz FVGCTSJKXMCJQG-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001159843596 1027515852 /nfs/dbraw/zinc/51/58/52/1027515852.db2.gz XVHLBEOMEKXBEK-FYQPLNBISA-N 1 3 365.562 2.536 20 0 FFADHO c1cc(O[C@@H]2CCC[NH2+]C2)ccc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001159954286 1027543654 /nfs/dbraw/zinc/54/36/54/1027543654.db2.gz RZOLMFMEJOGVKM-PZJWPPBQSA-N 1 3 357.498 2.998 20 0 FFADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(Cl)nc4c3CNCC4)c2c1 ZINC001160004007 1027560701 /nfs/dbraw/zinc/56/07/01/1027560701.db2.gz IKHTVKLSUZNNDO-LBPRGKRZSA-N 1 3 355.873 2.918 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1C ZINC001103542117 1027657104 /nfs/dbraw/zinc/65/71/04/1027657104.db2.gz GWXAZGIYNYHEES-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1C ZINC001103542117 1027657110 /nfs/dbraw/zinc/65/71/10/1027657110.db2.gz GWXAZGIYNYHEES-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCCCOC)C[C@H]1C ZINC001103542693 1027659069 /nfs/dbraw/zinc/65/90/69/1027659069.db2.gz SPDWTVNEVHJSBE-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCCCOC)C[C@H]1C ZINC001103542693 1027659075 /nfs/dbraw/zinc/65/90/75/1027659075.db2.gz SPDWTVNEVHJSBE-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@H]1C ZINC001103550367 1027665052 /nfs/dbraw/zinc/66/50/52/1027665052.db2.gz MKEUTCPANJFTSX-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)C[C@H]1C ZINC001103550367 1027665065 /nfs/dbraw/zinc/66/50/65/1027665065.db2.gz MKEUTCPANJFTSX-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO CN1CCN(Cc2cccc(Nc3cccc4c3[C@@H]3C[NH2+]C[C@@H]3O4)c2)CC1 ZINC001160395238 1027693366 /nfs/dbraw/zinc/69/33/66/1027693366.db2.gz PVELLRFBDKLGRH-NQIIRXRSSA-N 1 3 364.493 2.625 20 0 FFADHO [NH3+]C1CCN(c2cccc(N[C@H]3Cc4ccc(Cl)cc4NC3=O)n2)CC1 ZINC001160428659 1027701715 /nfs/dbraw/zinc/70/17/15/1027701715.db2.gz NOQGQLOBFSGBKF-INIZCTEOSA-N 1 3 371.872 2.638 20 0 FFADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H]1C ZINC001103614765 1027786094 /nfs/dbraw/zinc/78/60/94/1027786094.db2.gz TUEPRNFVWOVDHH-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H]1C ZINC001103614765 1027786115 /nfs/dbraw/zinc/78/61/15/1027786115.db2.gz TUEPRNFVWOVDHH-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO C[NH2+]CCC(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160684633 1027802168 /nfs/dbraw/zinc/80/21/68/1027802168.db2.gz XCJOPGBCZUCUSU-OAQYLSRUSA-N 1 3 351.494 2.899 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1C ZINC001103663758 1027921043 /nfs/dbraw/zinc/92/10/43/1027921043.db2.gz SKMLQBJZCSPZAU-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1C ZINC001103663758 1027921058 /nfs/dbraw/zinc/92/10/58/1027921058.db2.gz SKMLQBJZCSPZAU-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC001160956760 1027946367 /nfs/dbraw/zinc/94/63/67/1027946367.db2.gz OEBOEWJVGMXBGK-UYAOXDASSA-N 1 3 373.541 2.754 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@H]2CCCC[NH2+]C2)cc1 ZINC001160958013 1027946478 /nfs/dbraw/zinc/94/64/78/1027946478.db2.gz UDABPWWMCJFONU-PMACEKPBSA-N 1 3 373.541 2.898 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)[C@H](N)C34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC001160991891 1027960574 /nfs/dbraw/zinc/96/05/74/1027960574.db2.gz GYTFXTOTACOTLN-ONUXSRJRSA-N 1 3 359.558 2.865 20 0 FFADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001161049532 1027985825 /nfs/dbraw/zinc/98/58/25/1027985825.db2.gz GCQVGZXSDHYUTE-JKSUJKDBSA-N 1 3 357.420 2.516 20 0 FFADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001161049532 1027985837 /nfs/dbraw/zinc/98/58/37/1027985837.db2.gz GCQVGZXSDHYUTE-JKSUJKDBSA-N 1 3 357.420 2.516 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC001161081130 1028000307 /nfs/dbraw/zinc/00/03/07/1028000307.db2.gz FOFCTXWACYMMCT-LYRGGWFBSA-N 1 3 356.297 2.936 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC001161081130 1028000325 /nfs/dbraw/zinc/00/03/25/1028000325.db2.gz FOFCTXWACYMMCT-LYRGGWFBSA-N 1 3 356.297 2.936 20 0 FFADHO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001161467515 1028189848 /nfs/dbraw/zinc/18/98/48/1028189848.db2.gz FAGWUIMFFRMQMA-HNNXBMFYSA-N 1 3 361.408 2.603 20 0 FFADHO COc1ccc2cnc(N[C@H]3CC[C@H](NC(=O)C[NH+](C)C)CC3)cc2c1 ZINC001161669488 1028274090 /nfs/dbraw/zinc/27/40/90/1028274090.db2.gz BAULTQCEMOGNGX-QAQDUYKDSA-N 1 3 356.470 2.644 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000644632242 1028595812 /nfs/dbraw/zinc/59/58/12/1028595812.db2.gz HHCDYRSEKWUEEI-YJBOKZPZSA-N 1 3 374.447 2.699 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000644632242 1028595826 /nfs/dbraw/zinc/59/58/26/1028595826.db2.gz HHCDYRSEKWUEEI-YJBOKZPZSA-N 1 3 374.447 2.699 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCc1cccc(C(F)(F)F)n1 ZINC000644653763 1028612847 /nfs/dbraw/zinc/61/28/47/1028612847.db2.gz SPZAACFVVLXUJD-KRWDZBQOSA-N 1 3 367.415 2.725 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCc1cccc(C(F)(F)F)n1 ZINC000644653763 1028612861 /nfs/dbraw/zinc/61/28/61/1028612861.db2.gz SPZAACFVVLXUJD-KRWDZBQOSA-N 1 3 367.415 2.725 20 0 FFADHO CC[C@H](F)CNCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162817161 1028670243 /nfs/dbraw/zinc/67/02/43/1028670243.db2.gz OPVKQOIFIPBZAH-YZGWKJHDSA-N 1 3 363.521 2.736 20 0 FFADHO CC[C@H](F)CNCCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001162817161 1028670250 /nfs/dbraw/zinc/67/02/50/1028670250.db2.gz OPVKQOIFIPBZAH-YZGWKJHDSA-N 1 3 363.521 2.736 20 0 FFADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c[nH]c2cccc(C(F)(F)F)c12 ZINC001155319929 1028671843 /nfs/dbraw/zinc/67/18/43/1028671843.db2.gz DPQWJRQJTLBOEW-UHFFFAOYSA-N 1 3 369.391 2.864 20 0 FFADHO FC(F)(F)c1ccc2nccc(NCC[C@@H]3CCOC34C[NH2+]C4)c2c1 ZINC001163094933 1028794536 /nfs/dbraw/zinc/79/45/36/1028794536.db2.gz NFFWGQVRZVELFS-GFCCVEGCSA-N 1 3 351.372 2.856 20 0 FFADHO C[NH+](C)Cc1cccc(CNc2cncc([C@@H]3CN4CCC3CC4)n2)c1 ZINC001163992806 1029136532 /nfs/dbraw/zinc/13/65/32/1029136532.db2.gz DQDMIHGHRSALRG-LJQANCHMSA-N 1 3 351.498 2.960 20 0 FFADHO Fc1cccc2c(C3CC[NH2+]CC3)cn(-c3ncnc4c3CCNC4)c21 ZINC001157360289 1029565973 /nfs/dbraw/zinc/56/59/73/1029565973.db2.gz WFTYFCGAZCBQLD-UHFFFAOYSA-N 1 3 351.429 2.672 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858269 1029629061 /nfs/dbraw/zinc/62/90/61/1029629061.db2.gz WQAWRWDPJJDRAZ-RXVVDRJESA-N 1 3 361.505 2.947 20 0 FFADHO N[C@H](CC(=O)N1CCC[C@@](F)(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC001157742623 1029653751 /nfs/dbraw/zinc/65/37/51/1029653751.db2.gz CSCXRNYGYQVEJL-ZBFHGGJFSA-N 1 3 361.383 2.775 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ncc4cc(Cl)ccc4n3)CC2)CC1 ZINC001157837503 1029672731 /nfs/dbraw/zinc/67/27/31/1029672731.db2.gz CTKGJISNUQTQFY-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO Cc1ccc(-c2ccc(N3CCN(CC4CC[NH+](C)CC4)CC3)nn2)o1 ZINC001157842432 1029674115 /nfs/dbraw/zinc/67/41/15/1029674115.db2.gz PIXXKBHVZYTIRF-UHFFFAOYSA-N 1 3 355.486 2.509 20 0 FFADHO [NH3+][C@@H]1CCN(C2CCN(c3nc(N4CCCC4)cc4ccccc43)CC2)C1 ZINC001158270965 1029781034 /nfs/dbraw/zinc/78/10/34/1029781034.db2.gz WHQFZXRCGSTILT-GOSISDBHSA-N 1 3 365.525 2.837 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCC(C)C)C1)N(C)C ZINC001112120402 1030048418 /nfs/dbraw/zinc/04/84/18/1030048418.db2.gz RMRBIMLFSWJPBC-RBSFLKMASA-N 1 3 351.457 2.742 20 0 FFADHO Cc1nc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc(N2CCCC2)n1 ZINC001165671850 1030077258 /nfs/dbraw/zinc/07/72/58/1030077258.db2.gz LYTFAQVWRGNWOQ-KRWDZBQOSA-N 1 3 373.545 2.901 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1 ZINC001112174949 1030148287 /nfs/dbraw/zinc/14/82/87/1030148287.db2.gz CEZBSROTBJVWHW-KFWWJZLASA-N 1 3 367.431 2.588 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001112182099 1030166494 /nfs/dbraw/zinc/16/64/94/1030166494.db2.gz ONWJMRJVLWPRDC-HZPDHXFCSA-N 1 3 363.468 2.887 20 0 FFADHO COc1ccc2c(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000842478972 1030753110 /nfs/dbraw/zinc/75/31/10/1030753110.db2.gz MUJCZOZNRQJICB-NQIIRXRSSA-N 1 3 372.465 2.520 20 0 FFADHO CSc1ccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001204140552 1031127518 /nfs/dbraw/zinc/12/75/18/1031127518.db2.gz XYWJAOUDTCDCCC-UHFFFAOYSA-N 1 3 371.550 2.733 20 0 FFADHO CSc1ccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001204140552 1031127523 /nfs/dbraw/zinc/12/75/23/1031127523.db2.gz XYWJAOUDTCDCCC-UHFFFAOYSA-N 1 3 371.550 2.733 20 0 FFADHO O=C(OCc1ccccc1)N1CCC(CN2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000843126316 1031194110 /nfs/dbraw/zinc/19/41/10/1031194110.db2.gz JAZSXXDMZXRXFL-VQTJNVASSA-N 1 3 357.498 2.719 20 0 FFADHO CCOC(=O)Nc1ccc2c(C[NH2+][C@](C)(CN)C(C)C)cc(=O)oc2c1 ZINC000843356002 1031347929 /nfs/dbraw/zinc/34/79/29/1031347929.db2.gz AJIFRCLRONIFNC-LJQANCHMSA-N 1 3 361.442 2.824 20 0 FFADHO Cc1c(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cnn1C ZINC001204570422 1031366378 /nfs/dbraw/zinc/36/63/78/1031366378.db2.gz AIENIBLLORXOKF-NRFANRHFSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1c(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnn1C ZINC001204570422 1031366390 /nfs/dbraw/zinc/36/63/90/1031366390.db2.gz AIENIBLLORXOKF-NRFANRHFSA-N 1 3 368.525 2.984 20 0 FFADHO CN(C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000798485164 1031431018 /nfs/dbraw/zinc/43/10/18/1031431018.db2.gz POSXLBWXXGYQBI-UNMCSNQZSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000798485164 1031431030 /nfs/dbraw/zinc/43/10/30/1031431030.db2.gz POSXLBWXXGYQBI-UNMCSNQZSA-N 1 3 370.541 2.777 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001205325786 1031672120 /nfs/dbraw/zinc/67/21/20/1031672120.db2.gz IEVAWANLUVZISJ-RBUKOAKNSA-N 1 3 367.484 2.801 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCC2CC2)C1 ZINC001205458172 1031762234 /nfs/dbraw/zinc/76/22/34/1031762234.db2.gz ACZGQWXCZCEEGT-VQTJNVASSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001205458775 1031764074 /nfs/dbraw/zinc/76/40/74/1031764074.db2.gz SOESWCAYTZQOJH-AYOQOUSVSA-N 1 3 367.484 2.798 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1 ZINC001205639548 1031896778 /nfs/dbraw/zinc/89/67/78/1031896778.db2.gz ZWIJSTKEHUFREH-CSDYLXSXSA-N 1 3 352.425 2.958 20 0 FFADHO [NH3+]C[C@@]1(O)CCCCN(Cc2cccc3cc(Br)cnc32)C1 ZINC001205725399 1031956587 /nfs/dbraw/zinc/95/65/87/1031956587.db2.gz GWCRMEAQESKYLN-KRWDZBQOSA-N 1 3 364.287 2.673 20 0 FFADHO NC[C@@]1(O)CCCC[N@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001205725399 1031956600 /nfs/dbraw/zinc/95/66/00/1031956600.db2.gz GWCRMEAQESKYLN-KRWDZBQOSA-N 1 3 364.287 2.673 20 0 FFADHO NC[C@@]1(O)CCCC[N@@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001205725399 1031956617 /nfs/dbraw/zinc/95/66/17/1031956617.db2.gz GWCRMEAQESKYLN-KRWDZBQOSA-N 1 3 364.287 2.673 20 0 FFADHO COc1cc(OC)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1Cl ZINC001218808708 1033350770 /nfs/dbraw/zinc/35/07/70/1033350770.db2.gz JJFDFCAJVHGKOD-ZDUSSCGKSA-N 1 3 357.882 2.791 20 0 FFADHO CCn1c2ccccc2c2cc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)ccc21 ZINC001218913375 1033407540 /nfs/dbraw/zinc/40/75/40/1033407540.db2.gz UGTXIKARSWHVDZ-IVZQSRNASA-N 1 3 362.477 2.952 20 0 FFADHO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001219494992 1033669327 /nfs/dbraw/zinc/66/93/27/1033669327.db2.gz JJWBZLLLXQXBRD-HXUWFJFHSA-N 1 3 365.477 2.800 20 0 FFADHO N[C@@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)C12CC3CC(CC(C3)C1)C2 ZINC001219540966 1033682798 /nfs/dbraw/zinc/68/27/98/1033682798.db2.gz JWYILQBOLDIMCQ-DPUFYWHESA-N 1 3 367.493 2.617 20 0 FFADHO Cc1ccc2c(c1)[C@H](NC(=O)C[C@H]1CCNC[C@@H]1F)CC21CC[NH2+]CC1 ZINC001219753851 1033795830 /nfs/dbraw/zinc/79/58/30/1033795830.db2.gz MOQGLEHMLBFDCE-AYOQOUSVSA-N 1 3 359.489 2.515 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC001219943737 1033900735 /nfs/dbraw/zinc/90/07/35/1033900735.db2.gz WVSXIMDVJFGJNO-FQEVSTJZSA-N 1 3 371.550 2.934 20 0 FFADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001220384158 1034141873 /nfs/dbraw/zinc/14/18/73/1034141873.db2.gz LAFDGXINOHIZPG-JKSUJKDBSA-N 1 3 361.486 2.571 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001225272103 1034187626 /nfs/dbraw/zinc/18/76/26/1034187626.db2.gz GPOOHBDNOANSLO-UYAOXDASSA-N 1 3 360.546 2.971 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCCN1C)Cc1ccccc1 ZINC001220616930 1034291061 /nfs/dbraw/zinc/29/10/61/1034291061.db2.gz NKYGFUXWPHNLQT-VQTJNVASSA-N 1 3 360.546 2.723 20 0 FFADHO N[C@H](CC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC001220680857 1034337316 /nfs/dbraw/zinc/33/73/16/1034337316.db2.gz UCRIXDJBRUQLSV-FXUDXRNXSA-N 1 3 355.404 2.885 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740629 1034363997 /nfs/dbraw/zinc/36/39/97/1034363997.db2.gz LWKFADXVDYULIP-XIKIPACMSA-N 1 3 367.578 2.796 20 0 FFADHO CC(C)(C)[C@@H](N)C(=O)NC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001221137804 1034574003 /nfs/dbraw/zinc/57/40/03/1034574003.db2.gz AAESDJQTUMDJFD-HNNXBMFYSA-N 1 3 371.447 2.860 20 0 FFADHO COc1ccc(CC2(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCC2)cc1 ZINC001221161867 1034581757 /nfs/dbraw/zinc/58/17/57/1034581757.db2.gz FUSBOYCTSCYMCU-IBGZPJMESA-N 1 3 361.530 2.772 20 0 FFADHO CN1CCC[C@@H](NC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001221293173 1034654772 /nfs/dbraw/zinc/65/47/72/1034654772.db2.gz AXYMPTZXQSLZOX-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCC[C@@H](NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001221293173 1034654779 /nfs/dbraw/zinc/65/47/79/1034654779.db2.gz AXYMPTZXQSLZOX-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)CSCc1ccc(OC)cc1 ZINC001221373186 1034695748 /nfs/dbraw/zinc/69/57/48/1034695748.db2.gz FYZIVUCYWRUTCT-KRWDZBQOSA-N 1 3 367.559 2.670 20 0 FFADHO N[C@H](CC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC001221408535 1034718395 /nfs/dbraw/zinc/71/83/95/1034718395.db2.gz JGUUOOHKTBEJLY-WBVHZDCISA-N 1 3 356.297 2.888 20 0 FFADHO Cc1c(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)ccc(F)c1F ZINC001277144268 1034772802 /nfs/dbraw/zinc/77/28/02/1034772802.db2.gz DXKPMPMTBZKASC-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cnc4[nH]ccc4c3Cl)CC2)CC1 ZINC001138934455 1034825358 /nfs/dbraw/zinc/82/53/58/1034825358.db2.gz DVTLOIOFWOKXJY-UHFFFAOYSA-N 1 3 361.921 2.627 20 0 FFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2)C1CC1 ZINC001226801118 1034847067 /nfs/dbraw/zinc/84/70/67/1034847067.db2.gz SHYXKLSWRCFNFD-NJYVYQBISA-N 1 3 371.525 2.574 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226889854 1034873612 /nfs/dbraw/zinc/87/36/12/1034873612.db2.gz DHXRCJQSDORRGY-QXAKKESOSA-N 1 3 362.518 2.628 20 0 FFADHO CCc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226889854 1034873617 /nfs/dbraw/zinc/87/36/17/1034873617.db2.gz DHXRCJQSDORRGY-QXAKKESOSA-N 1 3 362.518 2.628 20 0 FFADHO CC(C)[NH+]1CCC(CN(C)Cc2cnc(N3CCOCC3)s2)CC1 ZINC001139045173 1034906922 /nfs/dbraw/zinc/90/69/22/1034906922.db2.gz IEBBVAFISBSZSA-UHFFFAOYSA-N 1 3 352.548 2.532 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC1CCOCC1)N(C)C ZINC001227057070 1034922075 /nfs/dbraw/zinc/92/20/75/1034922075.db2.gz LXDAMZAIQUHDDO-VAMGGRTRSA-N 1 3 367.578 2.941 20 0 FFADHO CC(C)Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001277185824 1034958976 /nfs/dbraw/zinc/95/89/76/1034958976.db2.gz SJGIURZPVRYYEM-JOCHJYFZSA-N 1 3 357.542 2.871 20 0 FFADHO CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001277185824 1034958983 /nfs/dbraw/zinc/95/89/83/1034958983.db2.gz SJGIURZPVRYYEM-JOCHJYFZSA-N 1 3 357.542 2.871 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3ccc4ncccc4c3)C[C@H]21 ZINC001221774073 1035058531 /nfs/dbraw/zinc/05/85/31/1035058531.db2.gz RFLHEEAVZUGQQZ-TZIWHRDSSA-N 1 3 366.509 2.609 20 0 FFADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277234191 1035691934 /nfs/dbraw/zinc/69/19/34/1035691934.db2.gz ADPYPBRGGBKUEO-HXUWFJFHSA-N 1 3 363.933 2.943 20 0 FFADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277234191 1035691948 /nfs/dbraw/zinc/69/19/48/1035691948.db2.gz ADPYPBRGGBKUEO-HXUWFJFHSA-N 1 3 363.933 2.943 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228444939 1036116467 /nfs/dbraw/zinc/11/64/67/1036116467.db2.gz JPFQGYPTPMITLM-BFYDXBDKSA-N 1 3 352.548 2.555 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1)N(C)C ZINC001228445588 1036118870 /nfs/dbraw/zinc/11/88/70/1036118870.db2.gz SLFCTUPOARYMMG-VAMGGRTRSA-N 1 3 361.530 2.669 20 0 FFADHO CCOC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)CC(C)(C)C)C1 ZINC001228646951 1036229343 /nfs/dbraw/zinc/22/93/43/1036229343.db2.gz MEDDXBSUYLATPU-CSODTCANSA-N 1 3 367.578 2.796 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001229231761 1036565450 /nfs/dbraw/zinc/56/54/50/1036565450.db2.gz UMRAKMAWIWDUHJ-RBSFLKMASA-N 1 3 364.361 2.929 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC1CCOCC1 ZINC001229230474 1036565886 /nfs/dbraw/zinc/56/58/86/1036565886.db2.gz IBBYCMZEYYATTH-WOJBJXKFSA-N 1 3 367.578 2.942 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC001229230486 1036566667 /nfs/dbraw/zinc/56/66/67/1036566667.db2.gz IIDSJYBTNUWLBJ-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1sc(C)nc1C ZINC001229860043 1036942266 /nfs/dbraw/zinc/94/22/66/1036942266.db2.gz KPEGRFYSLIQWEF-HZPDHXFCSA-N 1 3 352.548 2.619 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC001229939677 1036989922 /nfs/dbraw/zinc/98/99/22/1036989922.db2.gz JGNMBUIETDQISF-RTBURBONSA-N 1 3 354.498 2.910 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C ZINC001229940287 1036992594 /nfs/dbraw/zinc/99/25/94/1036992594.db2.gz ZYPVAKXOFBLTIZ-QZTJIDSGSA-N 1 3 370.497 2.665 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC001230284398 1037193851 /nfs/dbraw/zinc/19/38/51/1037193851.db2.gz CQHZHIKSBXYEMD-RTBURBONSA-N 1 3 367.484 2.865 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001230284765 1037196173 /nfs/dbraw/zinc/19/61/73/1037196173.db2.gz UHEWFNVMSGLMEI-GUDVDZBRSA-N 1 3 353.551 2.549 20 0 FFADHO Cc1c(Cl)cccc1CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277468466 1037400121 /nfs/dbraw/zinc/40/01/21/1037400121.db2.gz XVJIKOSSGORUDL-KRWDZBQOSA-N 1 3 363.933 2.928 20 0 FFADHO CC(C)(CCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1)c1ccccc1 ZINC001235206268 1037410951 /nfs/dbraw/zinc/41/09/51/1037410951.db2.gz SQDDMTRMQWUSRF-UHFFFAOYSA-N 1 3 370.541 2.828 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)CN(CC2CC[NH2+]CC2)C1 ZINC001207439095 1037441924 /nfs/dbraw/zinc/44/19/24/1037441924.db2.gz MMMCAZDUWHYYPP-KGLIPLIRSA-N 1 3 365.440 2.764 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001207484544 1037482864 /nfs/dbraw/zinc/48/28/64/1037482864.db2.gz PXGHTAGFCOVRQV-FDFHNCONSA-N 1 3 373.541 2.810 20 0 FFADHO Cc1ccc(Br)c(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1 ZINC001235370820 1037512537 /nfs/dbraw/zinc/51/25/37/1037512537.db2.gz XJHLHFHBHSEJFQ-BFYDXBDKSA-N 1 3 351.288 2.710 20 0 FFADHO Cc1ccc(Br)c(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1 ZINC001235370823 1037513062 /nfs/dbraw/zinc/51/30/62/1037513062.db2.gz XJHLHFHBHSEJFQ-ZMSDIMECSA-N 1 3 351.288 2.710 20 0 FFADHO CN(CCC[NH3+])Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001235435177 1037550199 /nfs/dbraw/zinc/55/01/99/1037550199.db2.gz BSRQGEJWJWSLKN-UHFFFAOYSA-N 1 3 352.526 2.789 20 0 FFADHO [NH3+][C@H](CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)c1ccccc1 ZINC001235596214 1037636093 /nfs/dbraw/zinc/63/60/93/1037636093.db2.gz GHOGOLDSFDEYAD-SESVDKBCSA-N 1 3 355.457 2.663 20 0 FFADHO FC(F)(F)c1ccc(O[C@H]2CCC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235688902 1037686054 /nfs/dbraw/zinc/68/60/54/1037686054.db2.gz VAWXZXAGIHUXMP-SJORKVTESA-N 1 3 358.404 2.927 20 0 FFADHO FC(F)(F)c1ccc(O[C@H]2CCC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235688902 1037686066 /nfs/dbraw/zinc/68/60/66/1037686066.db2.gz VAWXZXAGIHUXMP-SJORKVTESA-N 1 3 358.404 2.927 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001207757792 1037702552 /nfs/dbraw/zinc/70/25/52/1037702552.db2.gz MUCMVQJREYFMSC-OXQOHEQNSA-N 1 3 368.525 2.902 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001207757792 1037702565 /nfs/dbraw/zinc/70/25/65/1037702565.db2.gz MUCMVQJREYFMSC-OXQOHEQNSA-N 1 3 368.525 2.902 20 0 FFADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207849235 1037784850 /nfs/dbraw/zinc/78/48/50/1037784850.db2.gz CGISXRHMECWYFV-WOJBJXKFSA-N 1 3 359.514 2.564 20 0 FFADHO [NH3+]CCN(Cc1ccc2n1CCNC2)Cc1ccc(Cl)cc1Cl ZINC001235885860 1037816751 /nfs/dbraw/zinc/81/67/51/1037816751.db2.gz LBRPWFQXDSSXDF-UHFFFAOYSA-N 1 3 353.297 2.859 20 0 FFADHO Fc1c(CN2CCCCC2)cccc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001236012674 1037889475 /nfs/dbraw/zinc/88/94/75/1037889475.db2.gz RNIZMFUHDJTBTN-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO COC(=O)c1ccc(Br)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320584 1038042685 /nfs/dbraw/zinc/04/26/85/1038042685.db2.gz JHHATPKSLKKYOZ-OKILXGFUSA-N 1 3 367.287 2.667 20 0 FFADHO Fc1c(Cl)cccc1CN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236401163 1038075179 /nfs/dbraw/zinc/07/51/79/1038075179.db2.gz OAOVOVXVFCURJB-UHFFFAOYSA-N 1 3 369.912 2.613 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)CCCC1 ZINC001208185622 1038120052 /nfs/dbraw/zinc/12/00/52/1038120052.db2.gz CHZPYXNQHJDREP-IBGZPJMESA-N 1 3 370.541 2.642 20 0 FFADHO C[NH+](C)CC1(CN2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)CCCC1 ZINC001208185618 1038120519 /nfs/dbraw/zinc/12/05/19/1038120519.db2.gz CCVZZRWRYNWIIC-REPLKXPHSA-N 1 3 359.514 2.586 20 0 FFADHO NC(=O)C1CCN(C2CC[NH+]([C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC001255720535 1038142266 /nfs/dbraw/zinc/14/22/66/1038142266.db2.gz MFKJEMWKPCOHNI-ZBFHGGJFSA-N 1 3 361.452 2.769 20 0 FFADHO Cc1ccc(C[C@H](C)[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001255789954 1038167337 /nfs/dbraw/zinc/16/73/37/1038167337.db2.gz UWLNEUHCUUVAST-IBGZPJMESA-N 1 3 367.537 2.750 20 0 FFADHO Cc1ccc(C[C@H](C)[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc1 ZINC001255789954 1038167343 /nfs/dbraw/zinc/16/73/43/1038167343.db2.gz UWLNEUHCUUVAST-IBGZPJMESA-N 1 3 367.537 2.750 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255962948 1038278932 /nfs/dbraw/zinc/27/89/32/1038278932.db2.gz LVCMZXFJNQWOMN-NQIIRXRSSA-N 1 3 358.530 2.626 20 0 FFADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001255962948 1038278942 /nfs/dbraw/zinc/27/89/42/1038278942.db2.gz LVCMZXFJNQWOMN-NQIIRXRSSA-N 1 3 358.530 2.626 20 0 FFADHO CCOC(=O)N1CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001256234853 1038443102 /nfs/dbraw/zinc/44/31/02/1038443102.db2.gz WYHYBDAKYLDVBX-UHFFFAOYSA-N 1 3 360.502 2.504 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C1 ZINC001208612929 1038447750 /nfs/dbraw/zinc/44/77/50/1038447750.db2.gz JVDHNULPHPBWQM-ABSDTBQOSA-N 1 3 363.477 2.565 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C1 ZINC001208612929 1038447754 /nfs/dbraw/zinc/44/77/54/1038447754.db2.gz JVDHNULPHPBWQM-ABSDTBQOSA-N 1 3 363.477 2.565 20 0 FFADHO CC[NH+](CC)CCCN1CCN([C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256654965 1038593547 /nfs/dbraw/zinc/59/35/47/1038593547.db2.gz UBNHFXCVWPKKOW-HXUWFJFHSA-N 1 3 359.558 2.902 20 0 FFADHO Cn1cnnc1C1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940682 1038595769 /nfs/dbraw/zinc/59/57/69/1038595769.db2.gz VIDVUAHJGFIYCW-LJQANCHMSA-N 1 3 353.514 2.907 20 0 FFADHO Cn1cnnc1C1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940682 1038595770 /nfs/dbraw/zinc/59/57/70/1038595770.db2.gz VIDVUAHJGFIYCW-LJQANCHMSA-N 1 3 353.514 2.907 20 0 FFADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC001256683416 1038601310 /nfs/dbraw/zinc/60/13/10/1038601310.db2.gz AQNBHKCKEOFJPO-UJPJLTBQSA-N 1 3 352.906 2.995 20 0 FFADHO Cc1cnc(O[C@@H]2CC[N@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965328 1038610651 /nfs/dbraw/zinc/61/06/51/1038610651.db2.gz YQVKDJISBQAMIA-WOJBJXKFSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cnc(O[C@@H]2CC[N@@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965328 1038610654 /nfs/dbraw/zinc/61/06/54/1038610654.db2.gz YQVKDJISBQAMIA-WOJBJXKFSA-N 1 3 352.482 2.760 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001208982161 1038615142 /nfs/dbraw/zinc/61/51/42/1038615142.db2.gz LULSXMKDPQFFFZ-OAQYLSRUSA-N 1 3 355.526 2.843 20 0 FFADHO CC(C)[NH+]1CCC(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001257215337 1038747512 /nfs/dbraw/zinc/74/75/12/1038747512.db2.gz DPHRQAPQXUVGJM-FPOVZHCZSA-N 1 3 361.505 2.836 20 0 FFADHO CN1CC2(C1)CC[NH+](C[C@@H](O)COCc1c(Cl)cccc1Cl)CC2 ZINC001250902645 1038795865 /nfs/dbraw/zinc/79/58/65/1038795865.db2.gz CBIQPYGYKWEEKT-CQSZACIVSA-N 1 3 373.324 2.899 20 0 FFADHO CCOC(=O)C1CCC(O)(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001251057691 1038917815 /nfs/dbraw/zinc/91/78/15/1038917815.db2.gz YXTOJPXXHHRGQS-OBXNSHGQSA-N 1 3 366.546 2.811 20 0 FFADHO CCOC(=O)C1CCC(O)(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001251057691 1038917824 /nfs/dbraw/zinc/91/78/24/1038917824.db2.gz YXTOJPXXHHRGQS-OBXNSHGQSA-N 1 3 366.546 2.811 20 0 FFADHO CN(C)CCN1CC[N@@H+](C2CCC(OCc3ccccc3)CC2)CCC1=O ZINC001257833619 1039002780 /nfs/dbraw/zinc/00/27/80/1039002780.db2.gz CPXNDEKZHYWAQB-UHFFFAOYSA-N 1 3 373.541 2.610 20 0 FFADHO CN(C)CCN1CC[N@H+](C2CCC(OCc3ccccc3)CC2)CCC1=O ZINC001257833619 1039002783 /nfs/dbraw/zinc/00/27/83/1039002783.db2.gz CPXNDEKZHYWAQB-UHFFFAOYSA-N 1 3 373.541 2.610 20 0 FFADHO Cn1cc(CN2CCCC23CC[NH+](C2CCC4(COC4)CC2)CC3)cn1 ZINC001257907100 1039054801 /nfs/dbraw/zinc/05/48/01/1039054801.db2.gz KARDBQLRMHUTMF-UHFFFAOYSA-N 1 3 358.530 2.810 20 0 FFADHO CCCn1cc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001279060966 1039075601 /nfs/dbraw/zinc/07/56/01/1039075601.db2.gz RREKMCIFKHUHTI-UHFFFAOYSA-N 1 3 356.518 2.894 20 0 FFADHO CCCn1cc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001279060966 1039075619 /nfs/dbraw/zinc/07/56/19/1039075619.db2.gz RREKMCIFKHUHTI-UHFFFAOYSA-N 1 3 356.518 2.894 20 0 FFADHO O[C@@H](CNCC[C@H]1CCCC[NH2+]1)COCc1c(Cl)cccc1Cl ZINC001246002534 1039185186 /nfs/dbraw/zinc/18/51/86/1039185186.db2.gz PIFJXOSNPPBICM-KGLIPLIRSA-N 1 3 361.313 2.993 20 0 FFADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001246018265 1039194176 /nfs/dbraw/zinc/19/41/76/1039194176.db2.gz VHMMCOXAEHXUOO-JYJNAYRXSA-N 1 3 353.466 2.872 20 0 FFADHO C[C@H]1CC[C@@H](CN)[N@H+]1C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001246018265 1039194181 /nfs/dbraw/zinc/19/41/81/1039194181.db2.gz VHMMCOXAEHXUOO-JYJNAYRXSA-N 1 3 353.466 2.872 20 0 FFADHO COc1cccc(C[C@@H](CO)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258135365 1039213356 /nfs/dbraw/zinc/21/33/56/1039213356.db2.gz CTTGMDUCDOCCQM-QFIPXVFZSA-N 1 3 368.521 2.895 20 0 FFADHO CN(C)C(=O)[C@@H]1CC12CCN(C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258141977 1039220412 /nfs/dbraw/zinc/22/04/12/1039220412.db2.gz QYTDXXSPWMECLF-NRFANRHFSA-N 1 3 369.553 2.884 20 0 FFADHO COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@]3(O)CCNC[C@@H]3F)ccc2c1 ZINC001246084456 1039238761 /nfs/dbraw/zinc/23/87/61/1039238761.db2.gz SJSVRMJLIDUDKT-GQWLDOHISA-N 1 3 360.473 2.822 20 0 FFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC1 ZINC001246145792 1039254284 /nfs/dbraw/zinc/25/42/84/1039254284.db2.gz DZJOAVPNGOHJRS-IRIHQILHSA-N 1 3 362.901 2.891 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CN1 ZINC001246170063 1039264516 /nfs/dbraw/zinc/26/45/16/1039264516.db2.gz LDDRZVZUAOWCOE-UFYCRDLUSA-N 1 3 373.541 2.560 20 0 FFADHO Cc1ccc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)n1 ZINC001279085818 1039289740 /nfs/dbraw/zinc/28/97/40/1039289740.db2.gz MDSRESGXASFDBE-IBGZPJMESA-N 1 3 350.938 2.893 20 0 FFADHO O[C@H](CN[C@@H]1CCCC[NH2+]C1)CN(Cc1ccccc1)Cc1ccccc1 ZINC001246288585 1039297840 /nfs/dbraw/zinc/29/78/40/1039297840.db2.gz BLDNYLMDCVFALS-DHIUTWEWSA-N 1 3 367.537 2.781 20 0 FFADHO Fc1cccc(CC2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246467816 1039362989 /nfs/dbraw/zinc/36/29/89/1039362989.db2.gz UUDGFNLUAVEDMU-HZPDHXFCSA-N 1 3 359.411 2.763 20 0 FFADHO CC(C)(C)OC(=O)COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246483775 1039365868 /nfs/dbraw/zinc/36/58/68/1039365868.db2.gz OINREDZIQCVOPV-JWTNVVGKSA-N 1 3 360.498 2.822 20 0 FFADHO CCCN1CCC([NH2+]CCCC[C@@H](N)C(=O)OCc2ccccc2)CC1 ZINC001246487941 1039367534 /nfs/dbraw/zinc/36/75/34/1039367534.db2.gz SYYBSSNKKSBQJP-HXUWFJFHSA-N 1 3 361.530 2.691 20 0 FFADHO O=C(OC1CCC(N2CCOC[C@@]3(CCC[NH2+]C3)C2)CC1)c1ccccc1 ZINC001246633914 1039424542 /nfs/dbraw/zinc/42/45/42/1039424542.db2.gz FJSBUJAGKOZZSY-QETWGEEDSA-N 1 3 372.509 2.857 20 0 FFADHO C1CCC2(C1)CCC(N1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CC2 ZINC001246654671 1039428414 /nfs/dbraw/zinc/42/84/14/1039428414.db2.gz FGYVTUPYZOLJBN-UHFFFAOYSA-N 1 3 360.546 2.963 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cccc3cc[nH]c31)CC2 ZINC001278461634 1039437261 /nfs/dbraw/zinc/43/72/61/1039437261.db2.gz RITDRZYGWMVTJF-UHFFFAOYSA-N 1 3 354.498 2.544 20 0 FFADHO O=C(C[C@H]1CC2(CCN(C3CC[NH2+]CC3)CC2)c2ccccc21)NC1CC1 ZINC001246723167 1039452162 /nfs/dbraw/zinc/45/21/62/1039452162.db2.gz VUMMXQHNZPACQG-KRWDZBQOSA-N 1 3 367.537 2.928 20 0 FFADHO O=C(C[C@H]1CC2(CC[NH+](C3CCNCC3)CC2)c2ccccc21)NC1CC1 ZINC001246723167 1039452174 /nfs/dbraw/zinc/45/21/74/1039452174.db2.gz VUMMXQHNZPACQG-KRWDZBQOSA-N 1 3 367.537 2.928 20 0 FFADHO c1cncc(COC[C@@]23CCCO[C@@H]2CCN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)c1 ZINC001246744505 1039459357 /nfs/dbraw/zinc/45/93/57/1039459357.db2.gz BJQXFIIZYUPCPK-UWFUTDFQSA-N 1 3 371.525 2.752 20 0 FFADHO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C2CC[NH2+]CC2)C3)n1 ZINC001246753565 1039465244 /nfs/dbraw/zinc/46/52/44/1039465244.db2.gz NPVKSRQMVHCWMG-SFTDATJTSA-N 1 3 359.514 2.530 20 0 FFADHO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](C2CCNCC2)C3)n1 ZINC001246753565 1039465254 /nfs/dbraw/zinc/46/52/54/1039465254.db2.gz NPVKSRQMVHCWMG-SFTDATJTSA-N 1 3 359.514 2.530 20 0 FFADHO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](C2CCNCC2)C3)n1 ZINC001246753565 1039465259 /nfs/dbraw/zinc/46/52/59/1039465259.db2.gz NPVKSRQMVHCWMG-SFTDATJTSA-N 1 3 359.514 2.530 20 0 FFADHO C[C@@H]1CC[C@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)C[NH2+]1 ZINC001246754387 1039465953 /nfs/dbraw/zinc/46/59/53/1039465953.db2.gz IMPPCGHXTYRNTI-NZSAHSFTSA-N 1 3 364.484 2.755 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756551 1039467610 /nfs/dbraw/zinc/46/76/10/1039467610.db2.gz LNLZYSJZDPCQIK-FUHIMQAGSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756551 1039467615 /nfs/dbraw/zinc/46/76/15/1039467615.db2.gz LNLZYSJZDPCQIK-FUHIMQAGSA-N 1 3 370.541 2.843 20 0 FFADHO C[C@@H]1C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)C[C@H](C)[NH2+]1 ZINC001246804364 1039486394 /nfs/dbraw/zinc/48/63/94/1039486394.db2.gz GUFFGBXZKDOAJF-RMHZUWNSSA-N 1 3 352.320 2.924 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1C ZINC001210486272 1039577818 /nfs/dbraw/zinc/57/78/18/1039577818.db2.gz SDDPJZPMPVVFLT-HUUCEWRRSA-N 1 3 351.457 2.887 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1C ZINC001210486272 1039577830 /nfs/dbraw/zinc/57/78/30/1039577830.db2.gz SDDPJZPMPVVFLT-HUUCEWRRSA-N 1 3 351.457 2.887 20 0 FFADHO Fc1ccc(Oc2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247830128 1039977538 /nfs/dbraw/zinc/97/75/38/1039977538.db2.gz LVTKQCMPZICCRW-QGZVFWFLSA-N 1 3 366.396 2.944 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC001211296442 1040068259 /nfs/dbraw/zinc/06/82/59/1040068259.db2.gz NFMUPGCLVVOMQB-UYAOXDASSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC001211296442 1040068280 /nfs/dbraw/zinc/06/82/80/1040068280.db2.gz NFMUPGCLVVOMQB-UYAOXDASSA-N 1 3 358.530 2.600 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC001253377807 1040142425 /nfs/dbraw/zinc/14/24/25/1040142425.db2.gz XBINZOSSHZKWCK-HXUWFJFHSA-N 1 3 361.436 2.895 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253405666 1040157653 /nfs/dbraw/zinc/15/76/53/1040157653.db2.gz KOBXPJHQDZNCFC-KRWDZBQOSA-N 1 3 371.566 2.752 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253405666 1040157658 /nfs/dbraw/zinc/15/76/58/1040157658.db2.gz KOBXPJHQDZNCFC-KRWDZBQOSA-N 1 3 371.566 2.752 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC001253947878 1040465176 /nfs/dbraw/zinc/46/51/76/1040465176.db2.gz SYWGDJFWFYCKHL-MOPGFXCFSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC001253947878 1040465183 /nfs/dbraw/zinc/46/51/83/1040465183.db2.gz SYWGDJFWFYCKHL-MOPGFXCFSA-N 1 3 362.493 2.745 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001254023829 1040525593 /nfs/dbraw/zinc/52/55/93/1040525593.db2.gz REGXTKWSRDFZRP-RCCFBDPRSA-N 1 3 350.503 2.676 20 0 FFADHO OC1(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)CCN(Cc2ccccc2)CC1 ZINC001254039739 1040541393 /nfs/dbraw/zinc/54/13/93/1040541393.db2.gz JAGGKJTXNWLAJV-LJQANCHMSA-N 1 3 366.452 2.514 20 0 FFADHO OC1(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)CCN(Cc2ccccc2)CC1 ZINC001254039739 1040541414 /nfs/dbraw/zinc/54/14/14/1040541414.db2.gz JAGGKJTXNWLAJV-LJQANCHMSA-N 1 3 366.452 2.514 20 0 FFADHO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254369468 1040685735 /nfs/dbraw/zinc/68/57/35/1040685735.db2.gz QWBREKNEAGLETI-ACRUOGEOSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254369468 1040685739 /nfs/dbraw/zinc/68/57/39/1040685739.db2.gz QWBREKNEAGLETI-ACRUOGEOSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC001254510442 1040761653 /nfs/dbraw/zinc/76/16/53/1040761653.db2.gz WGERJAKALLJZEW-QFBILLFUSA-N 1 3 351.922 2.787 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261374737 1041197221 /nfs/dbraw/zinc/19/72/21/1041197221.db2.gz SHCGGSPLGIFWOY-HXUWFJFHSA-N 1 3 370.541 2.826 20 0 FFADHO c1nnnn1-c1ccccc1CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389786 1041316231 /nfs/dbraw/zinc/31/62/31/1041316231.db2.gz SYHSJOXJCJTJLD-FQEVSTJZSA-N 1 3 362.481 2.807 20 0 FFADHO c1nnnn1-c1ccccc1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389786 1041316241 /nfs/dbraw/zinc/31/62/41/1041316241.db2.gz SYHSJOXJCJTJLD-FQEVSTJZSA-N 1 3 362.481 2.807 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C3CC[NH+](C)CC3)c(C)c2)CC1 ZINC001214288739 1041357940 /nfs/dbraw/zinc/35/79/40/1041357940.db2.gz GUIRQIHZPRAQEM-UHFFFAOYSA-N 1 3 373.545 2.695 20 0 FFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001214855983 1041596073 /nfs/dbraw/zinc/59/60/73/1041596073.db2.gz TVCNVOPTBPMSHS-UIFIKXQLSA-N 1 3 357.542 2.704 20 0 FFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001214861306 1041598136 /nfs/dbraw/zinc/59/81/36/1041598136.db2.gz PVGNMHNDOPUZLP-WIYYLYMNSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NCc1cccc(Cl)n1 ZINC001215558686 1041826827 /nfs/dbraw/zinc/82/68/27/1041826827.db2.gz YCRRWQHJWDABTB-GDBMZVCRSA-N 1 3 366.937 2.649 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NCc1cccc(Cl)n1 ZINC001215558686 1041826836 /nfs/dbraw/zinc/82/68/36/1041826836.db2.gz YCRRWQHJWDABTB-GDBMZVCRSA-N 1 3 366.937 2.649 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)s1 ZINC001215558330 1041827152 /nfs/dbraw/zinc/82/71/52/1041827152.db2.gz PTSSBXFDQHNCEC-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](OC)C2CCC2)C1 ZINC001215973227 1041920400 /nfs/dbraw/zinc/92/04/00/1041920400.db2.gz YEGHOMXPOXHLEQ-MISYRCLQSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOC(C)C)C1 ZINC001215972942 1041920819 /nfs/dbraw/zinc/92/08/19/1041920819.db2.gz GGQVMRMKVOZQLT-RTBURBONSA-N 1 3 355.567 2.750 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2ncccc2C)C1)C(C)C ZINC001215977172 1041922436 /nfs/dbraw/zinc/92/24/36/1041922436.db2.gz IYEHBNZCSHHLPI-RLLQIKCJSA-N 1 3 360.546 2.693 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC001215993897 1041925464 /nfs/dbraw/zinc/92/54/64/1041925464.db2.gz HDWNJROWFQBXNW-OXQOHEQNSA-N 1 3 354.498 2.513 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001215999206 1041927640 /nfs/dbraw/zinc/92/76/40/1041927640.db2.gz VBGAYYOCTPIAGU-UIAACRFSSA-N 1 3 361.505 2.981 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001263648187 1042417985 /nfs/dbraw/zinc/41/79/85/1042417985.db2.gz KTEYRNOGFLCSTN-UXHICEINSA-N 1 3 371.529 2.577 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001263648187 1042417987 /nfs/dbraw/zinc/41/79/87/1042417987.db2.gz KTEYRNOGFLCSTN-UXHICEINSA-N 1 3 371.529 2.577 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C1CCCC1 ZINC001263904926 1042522084 /nfs/dbraw/zinc/52/20/84/1042522084.db2.gz FSAGTMNAWCQBTP-UHOSZYNNSA-N 1 3 365.562 2.550 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCOCC2)C1)N1CCCCCC1 ZINC001263920958 1042533036 /nfs/dbraw/zinc/53/30/36/1042533036.db2.gz BDGNVPXUALOEHH-YZGWKJHDSA-N 1 3 365.562 2.552 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cnc(C)s1 ZINC001264564160 1042718545 /nfs/dbraw/zinc/71/85/45/1042718545.db2.gz HYSCDJWPWPAUSN-WBVHZDCISA-N 1 3 366.575 2.900 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1cnc(C)s1 ZINC001264564160 1042718549 /nfs/dbraw/zinc/71/85/49/1042718549.db2.gz HYSCDJWPWPAUSN-WBVHZDCISA-N 1 3 366.575 2.900 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@@H+]1CCCCOC ZINC001264620065 1042751779 /nfs/dbraw/zinc/75/17/79/1042751779.db2.gz SFGJXFSMFNPMMU-CEXWTWQISA-N 1 3 353.551 2.647 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@H+]1CCCCOC ZINC001264620065 1042751782 /nfs/dbraw/zinc/75/17/82/1042751782.db2.gz SFGJXFSMFNPMMU-CEXWTWQISA-N 1 3 353.551 2.647 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cccc(Cl)c2F)C2CC2)CC[N@@H+]1C ZINC001265356114 1042853337 /nfs/dbraw/zinc/85/33/37/1042853337.db2.gz IPTGCXCMVDVONF-VMGRFDJRSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cccc(Cl)c2F)C2CC2)CC[N@H+]1C ZINC001265356114 1042853343 /nfs/dbraw/zinc/85/33/43/1042853343.db2.gz IPTGCXCMVDVONF-VMGRFDJRSA-N 1 3 367.896 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2ncccc2C)C2CC2)CC[N@@H+]1C ZINC001266138633 1042896159 /nfs/dbraw/zinc/89/61/59/1042896159.db2.gz NOYNJACHNIQLAP-AZUAARDMSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2ncccc2C)C2CC2)CC[N@H+]1C ZINC001266138633 1042896164 /nfs/dbraw/zinc/89/61/64/1042896164.db2.gz NOYNJACHNIQLAP-AZUAARDMSA-N 1 3 358.530 2.591 20 0 FFADHO O=c1cccc(CN2CCC3(C2)CC[NH+](Cc2ccc(O)cc2)CC3)[nH]1 ZINC001279183433 1042936578 /nfs/dbraw/zinc/93/65/78/1042936578.db2.gz HSXQYEMGIPKUTN-UHFFFAOYSA-N 1 3 353.466 2.981 20 0 FFADHO O=c1cccc(CN2CC3(C2)CCC[N@H+](CCCN2CCCCC2)C3)[nH]1 ZINC001279275487 1042979110 /nfs/dbraw/zinc/97/91/10/1042979110.db2.gz QOPMXEIIKYODTM-UHFFFAOYSA-N 1 3 358.530 2.561 20 0 FFADHO O=c1cccc(CN2CC3(C2)CCC[N@@H+](CCCN2CCCCC2)C3)[nH]1 ZINC001279275487 1042979112 /nfs/dbraw/zinc/97/91/12/1042979112.db2.gz QOPMXEIIKYODTM-UHFFFAOYSA-N 1 3 358.530 2.561 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccc3cc[nH]c3c1)CC2 ZINC001279278457 1042980380 /nfs/dbraw/zinc/98/03/80/1042980380.db2.gz DDLIROJIQFPANR-UHFFFAOYSA-N 1 3 354.498 2.544 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3cc4cc[nH]c4cn3)C2)C1 ZINC001279304375 1042992346 /nfs/dbraw/zinc/99/23/46/1042992346.db2.gz DTRULJDLMXINGH-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3cc4cc[nH]c4cn3)C2)C1 ZINC001279304375 1042992347 /nfs/dbraw/zinc/99/23/47/1042992347.db2.gz DTRULJDLMXINGH-NRFANRHFSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cc(-c4ccc(F)cc4)on3)[C@@H]2C1 ZINC001279404846 1043064517 /nfs/dbraw/zinc/06/45/17/1043064517.db2.gz FRGNUQJNXRLMCL-QFBILLFUSA-N 1 3 358.461 2.548 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cc(-c4ccc(F)cc4)on3)[C@@H]2C1 ZINC001279404846 1043064530 /nfs/dbraw/zinc/06/45/30/1043064530.db2.gz FRGNUQJNXRLMCL-QFBILLFUSA-N 1 3 358.461 2.548 20 0 FFADHO Cc1nn(C)c(Cl)c1CN1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279411907 1043076161 /nfs/dbraw/zinc/07/61/61/1043076161.db2.gz BMGXNWCMESGHIE-LJQANCHMSA-N 1 3 367.969 2.622 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cc(C)c(Cl)c(C)c2)CCC12C[NH2+]C2 ZINC001237428605 1043155324 /nfs/dbraw/zinc/15/53/24/1043155324.db2.gz BHJANSUVNBFOKM-INIZCTEOSA-N 1 3 350.890 2.931 20 0 FFADHO C[NH+]1CCC(C)(CN2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)CC1 ZINC001279477238 1043161577 /nfs/dbraw/zinc/16/15/77/1043161577.db2.gz JZIOTXDEBQINDE-UHFFFAOYSA-N 1 3 361.555 2.557 20 0 FFADHO CN1CCC[C@H](C[NH2+][C@@]23CC[C@@](NCc4cccc(=O)[nH]4)(C2)CCC3)C1 ZINC001279501013 1043194630 /nfs/dbraw/zinc/19/46/30/1043194630.db2.gz AXWDDDJZGTWPTC-JRGCBEDISA-N 1 3 358.530 2.654 20 0 FFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]Cc4[nH]c(C)nc4C)(C2)CCC3)n(C)n1 ZINC001279543662 1043238910 /nfs/dbraw/zinc/23/89/10/1043238910.db2.gz ADEOFQFPUXIQBO-VQTJNVASSA-N 1 3 356.518 2.793 20 0 FFADHO Cc1cc(C[NH2+][C@@]23CC[C@@](NCc4[nH]c(C)nc4C)(C2)CCC3)n(C)n1 ZINC001279543662 1043238916 /nfs/dbraw/zinc/23/89/16/1043238916.db2.gz ADEOFQFPUXIQBO-VQTJNVASSA-N 1 3 356.518 2.793 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC2(CN(C(=O)Nc3cccnc3)C2)CC1 ZINC001279591326 1043305649 /nfs/dbraw/zinc/30/56/49/1043305649.db2.gz MSFWVURHJSPHLM-UHFFFAOYSA-N 1 3 359.518 2.599 20 0 FFADHO CCc1csc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)n1 ZINC001279607710 1043332527 /nfs/dbraw/zinc/33/25/27/1043332527.db2.gz LTQMULNGSMNWCB-CALCHBBNSA-N 1 3 359.543 2.746 20 0 FFADHO CCc1csc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)n1 ZINC001279607710 1043332532 /nfs/dbraw/zinc/33/25/32/1043332532.db2.gz LTQMULNGSMNWCB-CALCHBBNSA-N 1 3 359.543 2.746 20 0 FFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cn4ccccc4n3)C2)C1 ZINC001279627369 1043364764 /nfs/dbraw/zinc/36/47/64/1043364764.db2.gz UXTSUQILLDMHQZ-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO Cc1cc(Cl)cc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)n1 ZINC001279646785 1043394993 /nfs/dbraw/zinc/39/49/93/1043394993.db2.gz YKGJLSZVZWQCGX-IBGZPJMESA-N 1 3 350.938 2.893 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(-n3cccn3)c(Cl)c1)C2 ZINC001279676824 1043449398 /nfs/dbraw/zinc/44/93/98/1043449398.db2.gz RHOLNVGQWAMPJU-MSOLQXFVSA-N 1 3 373.932 2.593 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1cnc(N)s1)CC2 ZINC001279694096 1043483663 /nfs/dbraw/zinc/48/36/63/1043483663.db2.gz RVOXPMMWKKVWGP-UHFFFAOYSA-N 1 3 363.556 2.978 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cnc(N)s1)CC2 ZINC001279694096 1043483669 /nfs/dbraw/zinc/48/36/69/1043483669.db2.gz RVOXPMMWKKVWGP-UHFFFAOYSA-N 1 3 363.556 2.978 20 0 FFADHO C[C@@H]1CN(c2ccc(CN3CCC4(CC[N@H+](C)C4)CC3)cn2)C[C@H](C)O1 ZINC001279709537 1043509339 /nfs/dbraw/zinc/50/93/39/1043509339.db2.gz GPYUNAMVGTVFJM-HDICACEKSA-N 1 3 358.530 2.613 20 0 FFADHO C[C@@H]1CN(c2ccc(CN3CCC4(CC[N@@H+](C)C4)CC3)cn2)C[C@H](C)O1 ZINC001279709537 1043509352 /nfs/dbraw/zinc/50/93/52/1043509352.db2.gz GPYUNAMVGTVFJM-HDICACEKSA-N 1 3 358.530 2.613 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC001311815395 1043984124 /nfs/dbraw/zinc/98/41/24/1043984124.db2.gz LGKORXXIBBVYHM-OAQYLSRUSA-N 1 3 372.557 2.991 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccccc1C(F)(F)F ZINC001239215059 1044071667 /nfs/dbraw/zinc/07/16/67/1044071667.db2.gz JDTCHRORZWDOFE-GFCCVEGCSA-N 1 3 356.392 2.701 20 0 FFADHO FC(F)(F)c1ccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239361572 1044104199 /nfs/dbraw/zinc/10/41/99/1044104199.db2.gz AMKORLKAVZXMCS-AWEZNQCLSA-N 1 3 372.460 2.866 20 0 FFADHO CN(CCC[NH3+])CCCNC(=S)NC(c1ccccc1)c1ccccc1 ZINC001239376603 1044108246 /nfs/dbraw/zinc/10/82/46/1044108246.db2.gz XXKHCWXRQLZHAC-UHFFFAOYSA-N 1 3 370.566 2.911 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2cc[nH]n2)c1 ZINC001280075604 1044174261 /nfs/dbraw/zinc/17/42/61/1044174261.db2.gz QRFVVGSYMOVBRW-IHWFROFDSA-N 1 3 353.514 2.723 20 0 FFADHO CN1CCN(Cc2cccc(-c3ccc(CN4CCOCC4)cc3)c2)CC1 ZINC001240292773 1044303173 /nfs/dbraw/zinc/30/31/73/1044303173.db2.gz JXZPQIRSEYBOCY-UHFFFAOYSA-N 1 3 365.521 2.933 20 0 FFADHO CN1CC[NH+](Cc2cccc(-c3ccc(CN4CCOCC4)cc3)c2)CC1 ZINC001240292773 1044303178 /nfs/dbraw/zinc/30/31/78/1044303178.db2.gz JXZPQIRSEYBOCY-UHFFFAOYSA-N 1 3 365.521 2.933 20 0 FFADHO CCOCC[N@@H+]1Cc2ccccc2C2(CCN(Cc3cn[nH]c3)CC2)C1 ZINC001280151338 1044307059 /nfs/dbraw/zinc/30/70/59/1044307059.db2.gz IJGHFKZPSRVOGU-UHFFFAOYSA-N 1 3 354.498 2.796 20 0 FFADHO CCOCC[N@H+]1Cc2ccccc2C2(CCN(Cc3cn[nH]c3)CC2)C1 ZINC001280151338 1044307071 /nfs/dbraw/zinc/30/70/71/1044307071.db2.gz IJGHFKZPSRVOGU-UHFFFAOYSA-N 1 3 354.498 2.796 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)CC2)CC1 ZINC001313315698 1044309995 /nfs/dbraw/zinc/30/99/95/1044309995.db2.gz LIPOHYSIUZCCHS-MKCYZYCBSA-N 1 3 350.551 2.621 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)CC2)CC1 ZINC001313315698 1044310003 /nfs/dbraw/zinc/31/00/03/1044310003.db2.gz LIPOHYSIUZCCHS-MKCYZYCBSA-N 1 3 350.551 2.621 20 0 FFADHO C[NH+](C)CC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(CC2CC2)CC1 ZINC001314669129 1044533602 /nfs/dbraw/zinc/53/36/02/1044533602.db2.gz YKADEQZZENROGD-UHFFFAOYSA-N 1 3 374.577 2.665 20 0 FFADHO CCCCOc1ncc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1C ZINC001280347981 1044637326 /nfs/dbraw/zinc/63/73/26/1044637326.db2.gz MLSIRIVLFSJNQA-PMACEKPBSA-N 1 3 360.546 2.779 20 0 FFADHO CN1CCN(c2cccc(-c3ccccc3CN3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001243670415 1044989001 /nfs/dbraw/zinc/98/90/01/1044989001.db2.gz FMHPNLRFPWYWBJ-HXUWFJFHSA-N 1 3 350.510 2.638 20 0 FFADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)c1ccccc1OCC(=O)N(C)C ZINC001319198398 1045063920 /nfs/dbraw/zinc/06/39/20/1045063920.db2.gz CUAAPGREWBWZGZ-IEBWSBKVSA-N 1 3 361.530 2.926 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(Cl)c(OC)c2)CC[N@@H+]1C ZINC001317589825 1045114853 /nfs/dbraw/zinc/11/48/53/1045114853.db2.gz UIYZGEHVHHPQDR-DOTOQJQBSA-N 1 3 367.921 2.627 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(Cl)c(OC)c2)CC[N@H+]1C ZINC001317589825 1045114856 /nfs/dbraw/zinc/11/48/56/1045114856.db2.gz UIYZGEHVHHPQDR-DOTOQJQBSA-N 1 3 367.921 2.627 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)c2)CC1 ZINC001320350319 1045394694 /nfs/dbraw/zinc/39/46/94/1045394694.db2.gz VQRSOBMZHMUEFU-PMACEKPBSA-N 1 3 373.545 2.823 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)Cc1ccco1 ZINC001323275734 1045527911 /nfs/dbraw/zinc/52/79/11/1045527911.db2.gz CGEFCNVDDJZHMT-MSOLQXFVSA-N 1 3 350.507 2.616 20 0 FFADHO COC(=O)c1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC001321560177 1045710123 /nfs/dbraw/zinc/71/01/23/1045710123.db2.gz XHUJQQWVAFTWQY-NRFANRHFSA-N 1 3 368.477 2.720 20 0 FFADHO COC(=O)c1cccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC001321560177 1045710140 /nfs/dbraw/zinc/71/01/40/1045710140.db2.gz XHUJQQWVAFTWQY-NRFANRHFSA-N 1 3 368.477 2.720 20 0 FFADHO CC(C)Oc1ccc(CCNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326310377 1046866020 /nfs/dbraw/zinc/86/60/20/1046866020.db2.gz CPTZERCBIRZREF-UHFFFAOYSA-N 1 3 373.541 2.598 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327470692 1047910594 /nfs/dbraw/zinc/91/05/94/1047910594.db2.gz OHXHWXLQGWBBSH-HXUWFJFHSA-N 1 3 370.541 2.999 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)cc2)CC1 ZINC001290220765 1047936741 /nfs/dbraw/zinc/93/67/41/1047936741.db2.gz DNSJGFUEHHVXBE-FQEVSTJZSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)cc2)CC1 ZINC001290220765 1047936749 /nfs/dbraw/zinc/93/67/49/1047936749.db2.gz DNSJGFUEHHVXBE-FQEVSTJZSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cncc(F)c2)C(C)(C)C)CC[N@@H+]1C ZINC001332806688 1048570734 /nfs/dbraw/zinc/57/07/34/1048570734.db2.gz GRYRYDNRQHCMIK-RCCFBDPRSA-N 1 3 364.509 2.572 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2cncc(F)c2)C(C)(C)C)CC[N@H+]1C ZINC001332806688 1048570746 /nfs/dbraw/zinc/57/07/46/1048570746.db2.gz GRYRYDNRQHCMIK-RCCFBDPRSA-N 1 3 364.509 2.572 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3[C@H]2CCCN3C)C1 ZINC001333681753 1049051310 /nfs/dbraw/zinc/05/13/10/1049051310.db2.gz YENQOMOCMYDMFL-ZSYWTGECSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3[C@H]2CCCN3C)C1 ZINC001333681753 1049051323 /nfs/dbraw/zinc/05/13/23/1049051323.db2.gz YENQOMOCMYDMFL-ZSYWTGECSA-N 1 3 350.551 2.623 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001295977491 1050008116 /nfs/dbraw/zinc/00/81/16/1050008116.db2.gz HYZHEWQQPYMAQJ-DLBZAZTESA-N 1 3 362.566 2.770 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)[NH+](C)C)cc1 ZINC001341658604 1050284272 /nfs/dbraw/zinc/28/42/72/1050284272.db2.gz IGKFUIFQNDAVIS-CTNGQTDRSA-N 1 3 364.493 2.765 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCCNC3)CC1 ZINC001341717121 1050336694 /nfs/dbraw/zinc/33/66/94/1050336694.db2.gz NOMCADUZSBZGFP-UHFFFAOYSA-N 1 3 359.514 2.657 20 0 FFADHO OCC1CCN(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001339980560 1050393920 /nfs/dbraw/zinc/39/39/20/1050393920.db2.gz MEGTVAWLTXBRRD-NOTZXAQLSA-N 1 3 371.569 2.866 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)c3ccc(CC[NH3+])cc3)cc2)CC1 ZINC001340114178 1050518491 /nfs/dbraw/zinc/51/84/91/1050518491.db2.gz VFLHMAFWZNNESO-UHFFFAOYSA-N 1 3 366.509 2.578 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2)c1ccsc1 ZINC001340170350 1050575548 /nfs/dbraw/zinc/57/55/48/1050575548.db2.gz YAJJOEMNLBLYND-ISXWCOSWSA-N 1 3 365.543 2.534 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001340173897 1050579267 /nfs/dbraw/zinc/57/92/67/1050579267.db2.gz VHLPNIDENPFQKO-YYWHXJBOSA-N 1 3 371.525 2.893 20 0 FFADHO CN(C(=O)c1cc2c(s1)CNCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC001340206330 1050614907 /nfs/dbraw/zinc/61/49/07/1050614907.db2.gz RJSLFAPNGXVRBL-UHFFFAOYSA-N 1 3 359.495 2.611 20 0 FFADHO CC(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001302688926 1051172117 /nfs/dbraw/zinc/17/21/17/1051172117.db2.gz FZBKGMLSPYUDPB-UHFFFAOYSA-N 1 3 362.566 2.806 20 0 FFADHO CC(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CC[N@H+](C)C(C)C ZINC001302688926 1051172123 /nfs/dbraw/zinc/17/21/23/1051172123.db2.gz FZBKGMLSPYUDPB-UHFFFAOYSA-N 1 3 362.566 2.806 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001340873998 1051208186 /nfs/dbraw/zinc/20/81/86/1051208186.db2.gz WRNPDSBRKBQLBI-MRXNPFEDSA-N 1 3 369.431 2.699 20 0 FFADHO CC[C@H](C)C[C@H](N)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001344890720 1052104852 /nfs/dbraw/zinc/10/48/52/1052104852.db2.gz PUNIAKYTJSJKFE-HKUYNNGSSA-N 1 3 361.530 2.547 20 0 FFADHO CC[C@H](C)C[C@H](N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001344890720 1052104858 /nfs/dbraw/zinc/10/48/58/1052104858.db2.gz PUNIAKYTJSJKFE-HKUYNNGSSA-N 1 3 361.530 2.547 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001308040315 1052390119 /nfs/dbraw/zinc/39/01/19/1052390119.db2.gz TZHCNFGJLNVBPJ-SFHVURJKSA-N 1 3 369.550 2.820 20 0 FFADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1SC ZINC001308331978 1052447335 /nfs/dbraw/zinc/44/73/35/1052447335.db2.gz YOSWHPDUNBZNJX-IAGOWNOFSA-N 1 3 350.528 2.885 20 0 FFADHO CN(C)C1(C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC001334860499 1053121454 /nfs/dbraw/zinc/12/14/54/1053121454.db2.gz YZSAOUHFDCGPPB-AABGKKOBSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)C1(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC001334860499 1053121460 /nfs/dbraw/zinc/12/14/60/1053121460.db2.gz YZSAOUHFDCGPPB-AABGKKOBSA-N 1 3 355.526 2.888 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](c4ccc(F)cc4)CC3=O)C[C@H]2C1 ZINC001335251905 1053269963 /nfs/dbraw/zinc/26/99/63/1053269963.db2.gz HACLAJGZZIICFE-FTEYMNFISA-N 1 3 359.489 2.761 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001346763276 1053290646 /nfs/dbraw/zinc/29/06/46/1053290646.db2.gz LFOSCZGMGDBPDS-SFHVURJKSA-N 1 3 360.502 2.636 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)N(C)C)cc1 ZINC001335539333 1053421567 /nfs/dbraw/zinc/42/15/67/1053421567.db2.gz RUFPYIVEEWIYAH-KYJSFNMBSA-N 1 3 364.559 2.638 20 0 FFADHO CC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001336733215 1054175429 /nfs/dbraw/zinc/17/54/29/1054175429.db2.gz KXQHBPFIASNCQN-CYBMUJFWSA-N 1 3 369.893 2.617 20 0 FFADHO CC[N@H+]1CC[C@H](CNCCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001336733215 1054175430 /nfs/dbraw/zinc/17/54/30/1054175430.db2.gz KXQHBPFIASNCQN-CYBMUJFWSA-N 1 3 369.893 2.617 20 0 FFADHO CCN1CC[C@H](C[NH2+]CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC001336733215 1054175432 /nfs/dbraw/zinc/17/54/32/1054175432.db2.gz KXQHBPFIASNCQN-CYBMUJFWSA-N 1 3 369.893 2.617 20 0 FFADHO Cc1noc2ncc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc12 ZINC001338250106 1055357181 /nfs/dbraw/zinc/35/71/81/1055357181.db2.gz JUEDWCVJTZNWBK-IBGZPJMESA-N 1 3 366.465 2.778 20 0 FFADHO Cc1noc2ncc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc12 ZINC001338250106 1055357189 /nfs/dbraw/zinc/35/71/89/1055357189.db2.gz JUEDWCVJTZNWBK-IBGZPJMESA-N 1 3 366.465 2.778 20 0 FFADHO C[N@@H+]1CC[C@@H](CNC[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC001338450335 1055525999 /nfs/dbraw/zinc/52/59/99/1055525999.db2.gz VLGIWRHRLORBTA-XHDPSFHLSA-N 1 3 361.711 2.851 20 0 FFADHO C[N@H+]1CC[C@@H](CNC[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC001338450335 1055526004 /nfs/dbraw/zinc/52/60/04/1055526004.db2.gz VLGIWRHRLORBTA-XHDPSFHLSA-N 1 3 361.711 2.851 20 0 FFADHO CCNC(=[NH2+])NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000849071252 1055628291 /nfs/dbraw/zinc/62/82/91/1055628291.db2.gz ZAJRABWDMWOWQG-UHFFFAOYSA-N 1 3 371.451 2.741 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC[C@@](C)(c4ccccc4)C3=O)C[C@@H]2C1 ZINC001352758630 1055770861 /nfs/dbraw/zinc/77/08/61/1055770861.db2.gz AOKAEGHBVWEDFR-MXKPZRPRSA-N 1 3 355.526 2.796 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CCC34CCC4)c(C)c2)CC1 ZINC001353581586 1056550935 /nfs/dbraw/zinc/55/09/35/1056550935.db2.gz KWVJMDRJNYDOKA-IBGZPJMESA-N 1 3 370.541 2.855 20 0 FFADHO C[C@H]1CN(C(=S)NCCN2CCCCC2)CC[N@@H+]1C1CCCCC1 ZINC001200427373 1056663897 /nfs/dbraw/zinc/66/38/97/1056663897.db2.gz CJTSDBSBNDOWDN-KRWDZBQOSA-N 1 3 352.592 2.686 20 0 FFADHO C[C@H]1CN(C(=S)NCCN2CCCCC2)CC[N@H+]1C1CCCCC1 ZINC001200427373 1056663900 /nfs/dbraw/zinc/66/39/00/1056663900.db2.gz CJTSDBSBNDOWDN-KRWDZBQOSA-N 1 3 352.592 2.686 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001300436027 1058314613 /nfs/dbraw/zinc/31/46/13/1058314613.db2.gz PBQLONRFRNITTF-WOJBJXKFSA-N 1 3 358.530 2.530 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001545561854 1071801729 /nfs/dbraw/zinc/80/17/29/1071801729.db2.gz INAUSYYYDGACRU-IAGOWNOFSA-N 1 3 374.577 2.806 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001545561854 1071801741 /nfs/dbraw/zinc/80/17/41/1071801741.db2.gz INAUSYYYDGACRU-IAGOWNOFSA-N 1 3 374.577 2.806 20 0 FFADHO COc1ccc(C)cc1CN(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001502245824 1058791347 /nfs/dbraw/zinc/79/13/47/1058791347.db2.gz HZBVRHVZOJWFNW-IEBWSBKVSA-N 1 3 361.530 2.624 20 0 FFADHO COc1ccc(C)cc1CN(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001502245824 1058791363 /nfs/dbraw/zinc/79/13/63/1058791363.db2.gz HZBVRHVZOJWFNW-IEBWSBKVSA-N 1 3 361.530 2.624 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001502252817 1058793445 /nfs/dbraw/zinc/79/34/45/1058793445.db2.gz BZLKZUMHEHLBAM-KURKYZTESA-N 1 3 374.577 2.806 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001515814695 1059816238 /nfs/dbraw/zinc/81/62/38/1059816238.db2.gz LKGZYSNAWWFVAW-IAGOWNOFSA-N 1 3 360.550 2.560 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001547643973 1071980725 /nfs/dbraw/zinc/98/07/25/1071980725.db2.gz BFWQVILDYQLREL-ZWKOTPCHSA-N 1 3 374.577 2.806 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001547645031 1071981993 /nfs/dbraw/zinc/98/19/93/1071981993.db2.gz DZUXUILSFDMQHY-QZTJIDSGSA-N 1 3 364.582 2.736 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001547645031 1071981999 /nfs/dbraw/zinc/98/19/99/1071981999.db2.gz DZUXUILSFDMQHY-QZTJIDSGSA-N 1 3 364.582 2.736 20 0 FFADHO CC[C@H](C)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001512860869 1060731516 /nfs/dbraw/zinc/73/15/16/1060731516.db2.gz KCBRTRONLRZSDO-KSZLIROESA-N 1 3 362.566 2.806 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc2c1OCCNC2 ZINC001521565291 1060970392 /nfs/dbraw/zinc/97/03/92/1060970392.db2.gz DMBOKQLOVISFEP-UHFFFAOYSA-N 1 3 367.493 2.893 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC001461209180 1061251551 /nfs/dbraw/zinc/25/15/51/1061251551.db2.gz YETSVWPIBVWNJM-FUHWJXTLSA-N 1 3 350.503 2.930 20 0 FFADHO FC(F)COc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC001461223388 1061256374 /nfs/dbraw/zinc/25/63/74/1061256374.db2.gz BCMCVWHYCHEUAC-INIZCTEOSA-N 1 3 354.441 2.921 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC001477286635 1061651040 /nfs/dbraw/zinc/65/10/40/1061651040.db2.gz AJUIVJHUQROMBM-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC001477286635 1061651050 /nfs/dbraw/zinc/65/10/50/1061651050.db2.gz AJUIVJHUQROMBM-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3CCN(C(=O)OCc4ccccc4)CC3)[C@H]2C1 ZINC001462673548 1061716994 /nfs/dbraw/zinc/71/69/94/1061716994.db2.gz XQFYWAQZRCLYJY-PCCBWWKXSA-N 1 3 371.525 2.965 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001477798583 1061804618 /nfs/dbraw/zinc/80/46/18/1061804618.db2.gz GPCBOMOBYOUWDW-RTWAWAEBSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC001477798583 1061804641 /nfs/dbraw/zinc/80/46/41/1061804641.db2.gz GPCBOMOBYOUWDW-RTWAWAEBSA-N 1 3 372.557 2.989 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001479140396 1062245221 /nfs/dbraw/zinc/24/52/21/1062245221.db2.gz UDINZNBWYBIQJA-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001479140396 1062245243 /nfs/dbraw/zinc/24/52/43/1062245243.db2.gz UDINZNBWYBIQJA-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ncccc1C ZINC001479578523 1062574369 /nfs/dbraw/zinc/57/43/69/1062574369.db2.gz MZQKTAWZXVSJOJ-MJGOQNOKSA-N 1 3 360.546 2.839 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ncccc1C ZINC001479578523 1062574385 /nfs/dbraw/zinc/57/43/85/1062574385.db2.gz MZQKTAWZXVSJOJ-MJGOQNOKSA-N 1 3 360.546 2.839 20 0 FFADHO CC(C)OCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)CC1 ZINC001479580521 1062577297 /nfs/dbraw/zinc/57/72/97/1062577297.db2.gz RWTIPMJZEIUDPI-UXHICEINSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@H]1CCN(CC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001442734155 1063559926 /nfs/dbraw/zinc/55/99/26/1063559926.db2.gz ZUWHRCWUMCYQRW-HNNXBMFYSA-N 1 3 371.447 2.937 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001468570252 1064006784 /nfs/dbraw/zinc/00/67/84/1064006784.db2.gz UDKCTTJVIDKCFR-HXUWFJFHSA-N 1 3 374.573 2.744 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC001468570252 1064006787 /nfs/dbraw/zinc/00/67/87/1064006787.db2.gz UDKCTTJVIDKCFR-HXUWFJFHSA-N 1 3 374.573 2.744 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC001469895032 1064224924 /nfs/dbraw/zinc/22/49/24/1064224924.db2.gz KLVJEVTXNPZGJE-SFTDATJTSA-N 1 3 355.526 2.779 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC001469895032 1064224931 /nfs/dbraw/zinc/22/49/31/1064224931.db2.gz KLVJEVTXNPZGJE-SFTDATJTSA-N 1 3 355.526 2.779 20 0 FFADHO CC(C)(C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCC1 ZINC001575089079 1078105333 /nfs/dbraw/zinc/10/53/33/1078105333.db2.gz JGXKLCJKDMBXSO-UTKZUKDTSA-N 1 3 357.498 2.623 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)C1 ZINC001575141277 1078110640 /nfs/dbraw/zinc/11/06/40/1078110640.db2.gz WNBADMRVDHDTJD-ORAYPTAESA-N 1 3 351.441 2.502 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001471687788 1064758470 /nfs/dbraw/zinc/75/84/70/1064758470.db2.gz VZVQDJARXKOGCR-MISYRCLQSA-N 1 3 359.489 2.733 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001471687788 1064758478 /nfs/dbraw/zinc/75/84/78/1064758478.db2.gz VZVQDJARXKOGCR-MISYRCLQSA-N 1 3 359.489 2.733 20 0 FFADHO CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCCC2)C1 ZINC001575507950 1078147298 /nfs/dbraw/zinc/14/72/98/1078147298.db2.gz NFJURWBKUGUGCI-MSOLQXFVSA-N 1 3 360.550 2.671 20 0 FFADHO CC(C)[C@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCCC2)C1 ZINC001575507951 1078147653 /nfs/dbraw/zinc/14/76/53/1078147653.db2.gz NFJURWBKUGUGCI-ROUUACIJSA-N 1 3 360.550 2.671 20 0 FFADHO CC(C)c1nnc(N2CCC(C)([NH3+])CC2)n1CCN(C)Cc1ccccc1 ZINC001575879223 1078172710 /nfs/dbraw/zinc/17/27/10/1078172710.db2.gz MZGFUJIBOJIIHK-UHFFFAOYSA-N 1 3 370.545 2.851 20 0 FFADHO CCOC(=O)CCCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001473142908 1065205938 /nfs/dbraw/zinc/20/59/38/1065205938.db2.gz BUAOAUAVWJKEGE-RTBURBONSA-N 1 3 353.551 2.600 20 0 FFADHO CO[C@H](CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)[C@@H]1CCOC1 ZINC001473718089 1065329476 /nfs/dbraw/zinc/32/94/76/1065329476.db2.gz DWJZAUPHLKYVOU-YSFYHYPLSA-N 1 3 358.526 2.882 20 0 FFADHO CO[C@H](CN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)[C@@H]1CCOC1 ZINC001473718089 1065329483 /nfs/dbraw/zinc/32/94/83/1065329483.db2.gz DWJZAUPHLKYVOU-YSFYHYPLSA-N 1 3 358.526 2.882 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(CNC(=O)OC(C)(C)C)CC3)[C@H]2C1 ZINC001474303354 1065489256 /nfs/dbraw/zinc/48/92/56/1065489256.db2.gz YBHOSTRBHIJTHM-YKFHYGQGSA-N 1 3 351.535 3.000 20 0 FFADHO C[C@H]1CN(c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCCC2)CC[C@@H]1C ZINC001576740325 1078269127 /nfs/dbraw/zinc/26/91/27/1078269127.db2.gz IMVKNPDONMTPBH-BZSNNMDCSA-N 1 3 360.550 2.671 20 0 FFADHO CC[C@@H](Cn1c([C@@H]2CCCN2)nnc1N1CCC(C)CC1)[NH+]1CCCC1 ZINC001577104697 1078304160 /nfs/dbraw/zinc/30/41/60/1078304160.db2.gz XACBLYCJRXDSMV-ROUUACIJSA-N 1 3 360.550 2.813 20 0 FFADHO CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[C@H]([NH3+])C1)c1ccco1 ZINC001577684963 1078387654 /nfs/dbraw/zinc/38/76/54/1078387654.db2.gz QILRYPVUZAMIAB-JKSUJKDBSA-N 1 3 360.506 2.615 20 0 FFADHO CCN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001577701499 1078389568 /nfs/dbraw/zinc/38/95/68/1078389568.db2.gz FKYWIMMNAHKXHI-ROUUACIJSA-N 1 3 374.508 2.991 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2C[C@H]([NH3+])C(C)C)C[C@@H]1C ZINC001577760485 1078397069 /nfs/dbraw/zinc/39/70/69/1078397069.db2.gz VVAFLLXQARGOOZ-LNLFQRSKSA-N 1 3 370.545 2.847 20 0 FFADHO CN(C)[C@@H](Cn1c(N2CC[C@@H]([NH3+])C2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001578407926 1078470527 /nfs/dbraw/zinc/47/05/27/1078470527.db2.gz FCUKNAKZOYIOOQ-SJORKVTESA-N 1 3 374.508 2.555 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc(Cl)n1 ZINC001579571836 1078644239 /nfs/dbraw/zinc/64/42/39/1078644239.db2.gz YGXLOYJKVCNATA-CVEARBPZSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc(Cl)n1 ZINC001579571836 1078644242 /nfs/dbraw/zinc/64/42/42/1078644242.db2.gz YGXLOYJKVCNATA-CVEARBPZSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc(NC(=O)CN[C@H](CCC[NH3+])c2ccccc2)n(C(C)(C)C)n1 ZINC001579628739 1078651994 /nfs/dbraw/zinc/65/19/94/1078651994.db2.gz VWAUYOQCAFHCGC-QGZVFWFLSA-N 1 3 357.502 2.955 20 0 FFADHO Cc1nn(C)cc1[C@H]1OCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001549373604 1073775599 /nfs/dbraw/zinc/77/55/99/1073775599.db2.gz RJPVTUYBOSCMPI-NHCUHLMSSA-N 1 3 354.498 2.813 20 0 FFADHO CN(C)C(=O)c1ccccc1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238393 1074658789 /nfs/dbraw/zinc/65/87/89/1074658789.db2.gz PPTYRLHXNDIDKT-UHFFFAOYSA-N 1 3 359.514 2.512 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CCC2(C[C@@H]2[NH3+])CC1)c1ccc(Cl)cc1 ZINC001551545230 1074751856 /nfs/dbraw/zinc/75/18/56/1074751856.db2.gz CICZLSOJCXLVIK-ISXWCOSWSA-N 1 3 364.921 2.902 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC001552157320 1075006101 /nfs/dbraw/zinc/00/61/01/1075006101.db2.gz DUMGPDPVCDJHSP-NJDAHSKKSA-N 1 3 355.526 2.575 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3[C@H]4CCCN[C@H]4C3(C)C)CC2)oc1C ZINC001553021842 1075200547 /nfs/dbraw/zinc/20/05/47/1075200547.db2.gz DGRQGMRWDRKLQV-DFQSSKMNSA-N 1 3 360.546 2.870 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC001553433472 1075306903 /nfs/dbraw/zinc/30/69/03/1075306903.db2.gz FUFKJKRZZOSCDQ-LMCOJAPRSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC001563081630 1075674092 /nfs/dbraw/zinc/67/40/92/1075674092.db2.gz ADBKFHYRBHWHGA-GOEBONIOSA-N 1 3 362.509 2.772 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC001563081630 1075674094 /nfs/dbraw/zinc/67/40/94/1075674094.db2.gz ADBKFHYRBHWHGA-GOEBONIOSA-N 1 3 362.509 2.772 20 0 FFADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)CCC1 ZINC001557787210 1075890803 /nfs/dbraw/zinc/89/08/03/1075890803.db2.gz YCECXRMWJYFLMZ-OYRHEFFESA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)CCC1 ZINC001557787210 1075890805 /nfs/dbraw/zinc/89/08/05/1075890805.db2.gz YCECXRMWJYFLMZ-OYRHEFFESA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1CC[C@@H](C(N)=O)CN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559523687 1076169229 /nfs/dbraw/zinc/16/92/29/1076169229.db2.gz ASQZAWORQVOGBY-GHTZIAJQSA-N 1 3 357.542 2.917 20 0 FFADHO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)[nH]1 ZINC001560298757 1076261840 /nfs/dbraw/zinc/26/18/40/1076261840.db2.gz RLERXLLRIRNSTN-SFHVURJKSA-N 1 3 354.498 2.718 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001564447693 1076633260 /nfs/dbraw/zinc/63/32/60/1076633260.db2.gz NFPMRKGHIZUEEV-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CCCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001564447693 1076633262 /nfs/dbraw/zinc/63/32/62/1076633262.db2.gz NFPMRKGHIZUEEV-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103301717 250145184 /nfs/dbraw/zinc/14/51/84/250145184.db2.gz RLGVRNRTGUIRDM-SFHVURJKSA-N 1 3 362.562 2.911 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000173540643 251203119 /nfs/dbraw/zinc/20/31/19/251203119.db2.gz VJNWBXSSOVDPCT-PXNSSMCTSA-N 1 3 358.530 2.907 20 0 FFADHO COCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000192599400 251293390 /nfs/dbraw/zinc/29/33/90/251293390.db2.gz HOJGDOWPNLJPQR-UHFFFAOYSA-N 1 3 360.502 2.513 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000267399989 251345449 /nfs/dbraw/zinc/34/54/49/251345449.db2.gz YGQNSYIIYIZEKL-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000267399989 251345453 /nfs/dbraw/zinc/34/54/53/251345453.db2.gz YGQNSYIIYIZEKL-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268827948 251397566 /nfs/dbraw/zinc/39/75/66/251397566.db2.gz PXEWSTSSNNXTOO-RBBKRZOGSA-N 1 3 358.574 2.514 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268784185 251383391 /nfs/dbraw/zinc/38/33/91/251383391.db2.gz AMNPDPYJVDJMLM-GMAHTHKFSA-N 1 3 372.601 2.904 20 0 FFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccco1 ZINC000272425516 252036275 /nfs/dbraw/zinc/03/62/75/252036275.db2.gz HBVYRAUGTMLBEG-LNLFQRSKSA-N 1 3 355.482 2.785 20 0 FFADHO CSCC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000272438436 252038332 /nfs/dbraw/zinc/03/83/32/252038332.db2.gz KNCWPMLOHJESSR-NXHRZFHOSA-N 1 3 351.560 2.949 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272501824 252054342 /nfs/dbraw/zinc/05/43/42/252054342.db2.gz VTQHTZHAOPIZMF-UXHICEINSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272720713 252113024 /nfs/dbraw/zinc/11/30/24/252113024.db2.gz JAAREEKNYMQQRK-IAGOWNOFSA-N 1 3 371.529 2.557 20 0 FFADHO C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272720713 252113028 /nfs/dbraw/zinc/11/30/28/252113028.db2.gz JAAREEKNYMQQRK-IAGOWNOFSA-N 1 3 371.529 2.557 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000272593861 252076024 /nfs/dbraw/zinc/07/60/24/252076024.db2.gz OHHGUPZBJBVPHG-GFOJFJKKSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000272593861 252076027 /nfs/dbraw/zinc/07/60/27/252076027.db2.gz OHHGUPZBJBVPHG-GFOJFJKKSA-N 1 3 370.541 2.775 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378124284 512603211 /nfs/dbraw/zinc/60/32/11/512603211.db2.gz XQJGRRYGGGVCIG-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378124284 512603218 /nfs/dbraw/zinc/60/32/18/512603218.db2.gz XQJGRRYGGGVCIG-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000278186850 256285700 /nfs/dbraw/zinc/28/57/00/256285700.db2.gz HLFRAIHVENVENF-UHFFFAOYSA-N 1 3 369.912 2.802 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000278764305 256345461 /nfs/dbraw/zinc/34/54/61/256345461.db2.gz KJTHFFKJTRMWNT-OAQYLSRUSA-N 1 3 355.526 2.888 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287964374 257133622 /nfs/dbraw/zinc/13/36/22/257133622.db2.gz YYKRITWKQGQEGE-DBVUQKKJSA-N 1 3 368.949 2.970 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287964374 257133624 /nfs/dbraw/zinc/13/36/24/257133624.db2.gz YYKRITWKQGQEGE-DBVUQKKJSA-N 1 3 368.949 2.970 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000287358365 257085320 /nfs/dbraw/zinc/08/53/20/257085320.db2.gz BBFSZXGJJQWUSL-XCDJFROHSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000287358365 257085321 /nfs/dbraw/zinc/08/53/21/257085321.db2.gz BBFSZXGJJQWUSL-XCDJFROHSA-N 1 3 370.541 2.964 20 0 FFADHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(OC(F)F)c1 ZINC000289480449 257283552 /nfs/dbraw/zinc/28/35/52/257283552.db2.gz QLFJGDXVJZNHFC-UHFFFAOYSA-N 1 3 371.472 2.754 20 0 FFADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294302244 257582418 /nfs/dbraw/zinc/58/24/18/257582418.db2.gz VFDHGOLDHAXBIH-ICSRJNTNSA-N 1 3 355.486 2.521 20 0 FFADHO COCCCN1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298251249 257898031 /nfs/dbraw/zinc/89/80/31/257898031.db2.gz DLFNVJQSFRFFJV-SFHVURJKSA-N 1 3 361.530 2.502 20 0 FFADHO COC[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)OCCc2ccccc21 ZINC000297477899 257836861 /nfs/dbraw/zinc/83/68/61/257836861.db2.gz RUSMIQRZUCLPQY-QFIPXVFZSA-N 1 3 367.493 2.755 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414932231 514361348 /nfs/dbraw/zinc/36/13/48/514361348.db2.gz CMNJKFKBOHTBHL-YWPYICTPSA-N 1 3 354.292 2.754 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414932231 514361352 /nfs/dbraw/zinc/36/13/52/514361352.db2.gz CMNJKFKBOHTBHL-YWPYICTPSA-N 1 3 354.292 2.754 20 0 FFADHO CN(C)CC(C)(C)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000037324735 506422921 /nfs/dbraw/zinc/42/29/21/506422921.db2.gz JNICGKWKNTWPLF-UHFFFAOYSA-N 1 3 357.292 2.898 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000066192036 506443713 /nfs/dbraw/zinc/44/37/13/506443713.db2.gz ADTVUBIKNUXRAH-IRXDYDNUSA-N 1 3 366.575 2.990 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000066192036 506443718 /nfs/dbraw/zinc/44/37/18/506443718.db2.gz ADTVUBIKNUXRAH-IRXDYDNUSA-N 1 3 366.575 2.990 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000065441498 506300898 /nfs/dbraw/zinc/30/08/98/506300898.db2.gz KIAUSMXQEQXDIN-LJQANCHMSA-N 1 3 372.557 2.989 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000065441498 506300904 /nfs/dbraw/zinc/30/09/04/506300904.db2.gz KIAUSMXQEQXDIN-LJQANCHMSA-N 1 3 372.557 2.989 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN3CCC2CC3)CC1 ZINC000375204330 512210905 /nfs/dbraw/zinc/21/09/05/512210905.db2.gz GQMYUGKRSAOTIP-KRWDZBQOSA-N 1 3 356.514 2.702 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377455409 512276829 /nfs/dbraw/zinc/27/68/29/512276829.db2.gz LAFKRWIBHJDTQW-HBMCJLEFSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377455409 512276834 /nfs/dbraw/zinc/27/68/34/512276834.db2.gz LAFKRWIBHJDTQW-HBMCJLEFSA-N 1 3 370.541 2.825 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000066176341 506437166 /nfs/dbraw/zinc/43/71/66/506437166.db2.gz PMQNAQVUBBKUAO-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)c1ccsc1 ZINC000045121642 506921058 /nfs/dbraw/zinc/92/10/58/506921058.db2.gz OYUYRIQVUBGPCC-KRWDZBQOSA-N 1 3 352.548 2.916 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067684412 506975131 /nfs/dbraw/zinc/97/51/31/506975131.db2.gz MWNGLSQSGZBNDO-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000067684412 506975136 /nfs/dbraw/zinc/97/51/36/506975136.db2.gz MWNGLSQSGZBNDO-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000067704867 506981115 /nfs/dbraw/zinc/98/11/15/506981115.db2.gz UYGPAQHJULYTOB-UXHICEINSA-N 1 3 358.530 2.868 20 0 FFADHO COc1cc(C[NH2+]C[C@H](O)CN2CCCC2)c(-c2ccccc2)cc1OC ZINC000067718384 506989565 /nfs/dbraw/zinc/98/95/65/506989565.db2.gz MZVLEATZCPOHKE-IBGZPJMESA-N 1 3 370.493 2.917 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(CC[NH+](C)C)CC1 ZINC000056522180 507037262 /nfs/dbraw/zinc/03/72/62/507037262.db2.gz RDOQBJQKEJJXHB-QGZVFWFLSA-N 1 3 370.541 2.879 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000068592719 507280704 /nfs/dbraw/zinc/28/07/04/507280704.db2.gz AOMPMYPFKIMSOU-OAHLLOKOSA-N 1 3 354.926 2.753 20 0 FFADHO COc1ccc(C[NH+]2CCC(CN[C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000068839825 507339146 /nfs/dbraw/zinc/33/91/46/507339146.db2.gz PMCSGXDXWOKORZ-NRFANRHFSA-N 1 3 367.493 2.723 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000048395061 507516804 /nfs/dbraw/zinc/51/68/04/507516804.db2.gz ADMGCYGUSFITLW-LJQANCHMSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000062646633 507680976 /nfs/dbraw/zinc/68/09/76/507680976.db2.gz YSARQTXSVXXGSV-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000062646633 507680983 /nfs/dbraw/zinc/68/09/83/507680983.db2.gz YSARQTXSVXXGSV-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(-c4cnco4)cc3)CC2)CC1 ZINC000050797585 507714053 /nfs/dbraw/zinc/71/40/53/507714053.db2.gz BEJKFNPAKWKDEG-UHFFFAOYSA-N 1 3 368.481 2.630 20 0 FFADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000063311763 507717075 /nfs/dbraw/zinc/71/70/75/507717075.db2.gz PMCSGXDXWOKORZ-OAQYLSRUSA-N 1 3 367.493 2.723 20 0 FFADHO CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CCCN(C)C2)c2ccccc2)CC1 ZINC000052582049 507814619 /nfs/dbraw/zinc/81/46/19/507814619.db2.gz HCMNNQRFQVZRLW-PMACEKPBSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000072954306 507875918 /nfs/dbraw/zinc/87/59/18/507875918.db2.gz NOPXWCNMRNJIAU-ZWKOTPCHSA-N 1 3 358.530 2.986 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cn(C)nc1-c1cccs1 ZINC000377631196 512366889 /nfs/dbraw/zinc/36/68/89/512366889.db2.gz RCHPREDPFHOILZ-UHFFFAOYSA-N 1 3 361.559 2.606 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)N(C)C)cc1 ZINC000108541372 507902668 /nfs/dbraw/zinc/90/26/68/507902668.db2.gz WCSHYUKCYYILQU-WOJBJXKFSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)N(C)C)cc1 ZINC000108541372 507902671 /nfs/dbraw/zinc/90/26/71/507902671.db2.gz WCSHYUKCYYILQU-WOJBJXKFSA-N 1 3 358.530 2.635 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000090458151 507920645 /nfs/dbraw/zinc/92/06/45/507920645.db2.gz JKGHDBDAONGWIW-HOSILWTGSA-N 1 3 371.319 2.507 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000090458151 507920648 /nfs/dbraw/zinc/92/06/48/507920648.db2.gz JKGHDBDAONGWIW-HOSILWTGSA-N 1 3 371.319 2.507 20 0 FFADHO OC[C@@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521748 507925394 /nfs/dbraw/zinc/92/53/94/507925394.db2.gz JDZSOISEWHVZQI-IXDOHACOSA-N 1 3 372.431 2.953 20 0 FFADHO OC[C@@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521748 507925397 /nfs/dbraw/zinc/92/53/97/507925397.db2.gz JDZSOISEWHVZQI-IXDOHACOSA-N 1 3 372.431 2.953 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000073620031 507938606 /nfs/dbraw/zinc/93/86/06/507938606.db2.gz MUKKETRVCGZSMO-FQEVSTJZSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000073620031 507938607 /nfs/dbraw/zinc/93/86/07/507938607.db2.gz MUKKETRVCGZSMO-FQEVSTJZSA-N 1 3 358.530 2.743 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079168417 507939863 /nfs/dbraw/zinc/93/98/63/507939863.db2.gz CWZJGFHCCKMVDH-SFHVURJKSA-N 1 3 370.541 2.743 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079168417 507939865 /nfs/dbraw/zinc/93/98/65/507939865.db2.gz CWZJGFHCCKMVDH-SFHVURJKSA-N 1 3 370.541 2.743 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc2ccccc2o1 ZINC000073750290 507952321 /nfs/dbraw/zinc/95/23/21/507952321.db2.gz YNRINRDTBOSLSZ-GOSISDBHSA-N 1 3 372.513 2.990 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc2ccccc2o1 ZINC000073750290 507952322 /nfs/dbraw/zinc/95/23/22/507952322.db2.gz YNRINRDTBOSLSZ-GOSISDBHSA-N 1 3 372.513 2.990 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000079733478 507996762 /nfs/dbraw/zinc/99/67/62/507996762.db2.gz GHHUENQMHRMJHH-NRFANRHFSA-N 1 3 368.525 2.720 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000079974590 508021902 /nfs/dbraw/zinc/02/19/02/508021902.db2.gz VAJLHACFLGWKMM-SFHVURJKSA-N 1 3 372.557 2.991 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000079983563 508023225 /nfs/dbraw/zinc/02/32/25/508023225.db2.gz ICMNQTURIBADNX-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000079983563 508023226 /nfs/dbraw/zinc/02/32/26/508023226.db2.gz ICMNQTURIBADNX-UHFFFAOYSA-N 1 3 352.567 2.872 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000377650166 512376875 /nfs/dbraw/zinc/37/68/75/512376875.db2.gz WRWGNCURBLYKMS-SFTDATJTSA-N 1 3 362.537 2.577 20 0 FFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)COCc1ccco1 ZINC000092821644 508102983 /nfs/dbraw/zinc/10/29/83/508102983.db2.gz YUWIOMUUSYRJIV-HXUWFJFHSA-N 1 3 373.497 2.791 20 0 FFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)COCc1ccco1 ZINC000092821644 508102985 /nfs/dbraw/zinc/10/29/85/508102985.db2.gz YUWIOMUUSYRJIV-HXUWFJFHSA-N 1 3 373.497 2.791 20 0 FFADHO CN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000111797533 508122924 /nfs/dbraw/zinc/12/29/24/508122924.db2.gz NJJQONSFHCONNW-IHWFROFDSA-N 1 3 356.514 2.575 20 0 FFADHO CN1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111797533 508122928 /nfs/dbraw/zinc/12/29/28/508122928.db2.gz NJJQONSFHCONNW-IHWFROFDSA-N 1 3 356.514 2.575 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(F)cccc1F ZINC000076330589 508187744 /nfs/dbraw/zinc/18/77/44/508187744.db2.gz UHHHHLIHXPQNPA-AWEZNQCLSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(F)cccc1F ZINC000076330589 508187746 /nfs/dbraw/zinc/18/77/46/508187746.db2.gz UHHHHLIHXPQNPA-AWEZNQCLSA-N 1 3 354.445 2.845 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000097177063 508220653 /nfs/dbraw/zinc/22/06/53/508220653.db2.gz UVLYWHDEXQZAPX-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000097177063 508220656 /nfs/dbraw/zinc/22/06/56/508220656.db2.gz UVLYWHDEXQZAPX-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN([C@@H](C)CNC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000112916732 508232828 /nfs/dbraw/zinc/23/28/28/508232828.db2.gz RNBPFFUGZOEBJF-IBGZPJMESA-N 1 3 374.573 2.673 20 0 FFADHO CCN1CCN([C@@H](C)CNC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000112916732 508232831 /nfs/dbraw/zinc/23/28/31/508232831.db2.gz RNBPFFUGZOEBJF-IBGZPJMESA-N 1 3 374.573 2.673 20 0 FFADHO C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000113451123 508268647 /nfs/dbraw/zinc/26/86/47/508268647.db2.gz RBVIVWKDECXHEG-RXVVDRJESA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000114502040 508323033 /nfs/dbraw/zinc/32/30/33/508323033.db2.gz HRIQTJJEYQYBEK-MRXNPFEDSA-N 1 3 373.463 2.746 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)N(C)C)cc1 ZINC000105083221 508359501 /nfs/dbraw/zinc/35/95/01/508359501.db2.gz NPKYUJQRVDFDAV-AZUAARDMSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC)C2)N(C)C)cc1 ZINC000105083221 508359504 /nfs/dbraw/zinc/35/95/04/508359504.db2.gz NPKYUJQRVDFDAV-AZUAARDMSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)C1CC1 ZINC000105269845 508368114 /nfs/dbraw/zinc/36/81/14/508368114.db2.gz IFWONPMFXYPLEN-QZTJIDSGSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088509639 508374140 /nfs/dbraw/zinc/37/41/40/508374140.db2.gz PMUUHMFBMXHIKV-KZNAEPCWSA-N 1 3 364.534 2.719 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000088607107 508378801 /nfs/dbraw/zinc/37/88/01/508378801.db2.gz IYVFRIPRDHTEBX-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000127166162 508409353 /nfs/dbraw/zinc/40/93/53/508409353.db2.gz HRIQKGYYZYEYSJ-UHFFFAOYSA-N 1 3 359.470 2.552 20 0 FFADHO C[C@@H]1CCC[C@@H](N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000127491533 508458611 /nfs/dbraw/zinc/45/86/11/508458611.db2.gz XMABIPRELRFOEN-VQIMIIECSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CCC[C@H](N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000127491311 508458769 /nfs/dbraw/zinc/45/87/69/508458769.db2.gz XMABIPRELRFOEN-LPHOPBHVSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)CN(CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127508514 508460390 /nfs/dbraw/zinc/46/03/90/508460390.db2.gz XMASNPVCJRRMTC-UHFFFAOYSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)N1[C@H](C)CC[C@@H]1C ZINC000156783988 508476111 /nfs/dbraw/zinc/47/61/11/508476111.db2.gz GZCCQTDXNHPBDV-XHSDSOJGSA-N 1 3 360.502 2.754 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccccc4F)CC3)CC2)CC1 ZINC000152621296 508480602 /nfs/dbraw/zinc/48/06/02/508480602.db2.gz ZXSZWVRJHSDELK-UHFFFAOYSA-N 1 3 374.504 2.673 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCC[NH+]1CCC(C)CC1 ZINC000122134666 508487057 /nfs/dbraw/zinc/48/70/57/508487057.db2.gz XRSSUZJCWLWJEI-SFHVURJKSA-N 1 3 352.544 2.951 20 0 FFADHO COc1ccc(C[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000122223694 508501683 /nfs/dbraw/zinc/50/16/83/508501683.db2.gz YTCFRTVCLZBLBT-KRWDZBQOSA-N 1 3 373.541 2.549 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000127831053 508507273 /nfs/dbraw/zinc/50/72/73/508507273.db2.gz DYQCBCHTWGZACI-HLAWJBBLSA-N 1 3 370.541 2.948 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000127831053 508507275 /nfs/dbraw/zinc/50/72/75/508507275.db2.gz DYQCBCHTWGZACI-HLAWJBBLSA-N 1 3 370.541 2.948 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H](N(C)C)C3)CC2)CC1 ZINC000152760333 508510885 /nfs/dbraw/zinc/51/08/85/508510885.db2.gz LIKUTKABECPBRR-CTWPCTMYSA-N 1 3 350.551 2.765 20 0 FFADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128136153 508552329 /nfs/dbraw/zinc/55/23/29/508552329.db2.gz NAFAKSJVTVDTBL-ZFWWWQNUSA-N 1 3 366.575 2.987 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128294468 508573690 /nfs/dbraw/zinc/57/36/90/508573690.db2.gz PLVWETNFQIGKEL-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)c1 ZINC000157819672 508617691 /nfs/dbraw/zinc/61/76/91/508617691.db2.gz DVOQBTAKBLFYEG-KRWDZBQOSA-N 1 3 369.509 2.880 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC[C@@H]21 ZINC000136836630 508719931 /nfs/dbraw/zinc/71/99/31/508719931.db2.gz QMWJPDHGZZDANA-HKBOAZHASA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC[C@@H]21 ZINC000136836630 508719935 /nfs/dbraw/zinc/71/99/35/508719935.db2.gz QMWJPDHGZZDANA-HKBOAZHASA-N 1 3 370.541 2.949 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000129384612 508720433 /nfs/dbraw/zinc/72/04/33/508720433.db2.gz FPUDWQNCNYNAIT-SFHVURJKSA-N 1 3 358.530 2.766 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000123865022 508749207 /nfs/dbraw/zinc/74/92/07/508749207.db2.gz CUADWOUWYTVFRW-UHFFFAOYSA-N 1 3 351.903 2.983 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000129765085 508764008 /nfs/dbraw/zinc/76/40/08/508764008.db2.gz XBRUCMDOWCZXIW-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159239034 508813093 /nfs/dbraw/zinc/81/30/93/508813093.db2.gz QEXVHXMWAVVHLP-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159239034 508813094 /nfs/dbraw/zinc/81/30/94/508813094.db2.gz QEXVHXMWAVVHLP-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000154630771 508822250 /nfs/dbraw/zinc/82/22/50/508822250.db2.gz OPDDLFGIHNBICD-QGZVFWFLSA-N 1 3 362.518 2.789 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000154630771 508822252 /nfs/dbraw/zinc/82/22/52/508822252.db2.gz OPDDLFGIHNBICD-QGZVFWFLSA-N 1 3 362.518 2.789 20 0 FFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Br ZINC000119701548 508846366 /nfs/dbraw/zinc/84/63/66/508846366.db2.gz AODZXRFYJCAUNU-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)N(C)C ZINC000130897743 508862233 /nfs/dbraw/zinc/86/22/33/508862233.db2.gz WLGGAXHVZBWJLU-FQEVSTJZSA-N 1 3 360.546 2.989 20 0 FFADHO CSCCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000120077376 508923035 /nfs/dbraw/zinc/92/30/35/508923035.db2.gz SSNJVOXEWUVAPD-UHFFFAOYSA-N 1 3 352.548 2.549 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000120106212 508929405 /nfs/dbraw/zinc/92/94/05/508929405.db2.gz FQZFQTWUWGWPTF-UHFFFAOYSA-N 1 3 372.488 2.524 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000120397210 508987013 /nfs/dbraw/zinc/98/70/13/508987013.db2.gz FIJKHMCXTASJDK-KRWDZBQOSA-N 1 3 366.575 2.991 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000125582632 509002855 /nfs/dbraw/zinc/00/28/55/509002855.db2.gz ZTZJUVIBWQHZOF-SFHVURJKSA-N 1 3 356.514 2.964 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000125582632 509002859 /nfs/dbraw/zinc/00/28/59/509002859.db2.gz ZTZJUVIBWQHZOF-SFHVURJKSA-N 1 3 356.514 2.964 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCCC[NH+]2CCC(C)CC2)o1 ZINC000125900412 509042590 /nfs/dbraw/zinc/04/25/90/509042590.db2.gz UGBBAGDOKGSILM-UHFFFAOYSA-N 1 3 364.534 2.783 20 0 FFADHO CCN1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000156267672 509152316 /nfs/dbraw/zinc/15/23/16/509152316.db2.gz OJCMETVORJGNCP-NQIIRXRSSA-N 1 3 357.542 2.788 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121268482 509160445 /nfs/dbraw/zinc/16/04/45/509160445.db2.gz BBASHRMRNKQWBK-VSKRKVRLSA-N 1 3 369.553 2.871 20 0 FFADHO CC1(C)C[C@@H]([NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)C(C)(C)O1 ZINC000247957798 509200483 /nfs/dbraw/zinc/20/04/83/509200483.db2.gz FUPRLTYEIQBWAB-RTBURBONSA-N 1 3 373.541 2.820 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000247966887 509203911 /nfs/dbraw/zinc/20/39/11/509203911.db2.gz IBQLQVPRIVBHFM-JKSUJKDBSA-N 1 3 353.532 2.973 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000248146733 509248555 /nfs/dbraw/zinc/24/85/55/509248555.db2.gz QGNWELJLOPISKA-VMPBMTGNSA-N 1 3 350.528 2.576 20 0 FFADHO Cc1csc(=O)n1CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248390737 509288101 /nfs/dbraw/zinc/28/81/01/509288101.db2.gz CGJZFNNVNZCWOD-MNZLEMJZSA-N 1 3 359.539 2.964 20 0 FFADHO Cc1csc(=O)n1CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248390737 509288104 /nfs/dbraw/zinc/28/81/04/509288104.db2.gz CGJZFNNVNZCWOD-MNZLEMJZSA-N 1 3 359.539 2.964 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248395615 509291607 /nfs/dbraw/zinc/29/16/07/509291607.db2.gz GHKGOBYCUGWYBC-JENIJYKNSA-N 1 3 350.551 2.813 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248395615 509291616 /nfs/dbraw/zinc/29/16/16/509291616.db2.gz GHKGOBYCUGWYBC-JENIJYKNSA-N 1 3 350.551 2.813 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248399675 509295336 /nfs/dbraw/zinc/29/53/36/509295336.db2.gz PDJQHIMUWMCVPT-ZSXDVEMLSA-N 1 3 354.535 2.833 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409977 509302863 /nfs/dbraw/zinc/30/28/63/509302863.db2.gz XOCTZDHRXVBNJS-KURKYZTESA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409977 509302867 /nfs/dbraw/zinc/30/28/67/509302867.db2.gz XOCTZDHRXVBNJS-KURKYZTESA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)CN1CCOCC1 ZINC000248407654 509304177 /nfs/dbraw/zinc/30/41/77/509304177.db2.gz UQBATDIXUNUMSL-CWKRKGSWSA-N 1 3 371.569 2.845 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000185805729 509363680 /nfs/dbraw/zinc/36/36/80/509363680.db2.gz HZEKOIHJWRBNJL-UHFFFAOYSA-N 1 3 352.548 2.553 20 0 FFADHO C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000173045386 509367462 /nfs/dbraw/zinc/36/74/62/509367462.db2.gz BXLBMLBFHNYJCY-IBGZPJMESA-N 1 3 374.573 2.681 20 0 FFADHO CC[C@H]([NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000248590453 509379534 /nfs/dbraw/zinc/37/95/34/509379534.db2.gz KTZMIKVHVRODFT-JRGCBEDISA-N 1 3 373.541 2.703 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)c(F)cc1F ZINC000173090804 509387724 /nfs/dbraw/zinc/38/77/24/509387724.db2.gz ABRVLWLISRMNIB-ZDUSSCGKSA-N 1 3 372.435 2.984 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)c(F)cc1F ZINC000173090804 509387733 /nfs/dbraw/zinc/38/77/33/509387733.db2.gz ABRVLWLISRMNIB-ZDUSSCGKSA-N 1 3 372.435 2.984 20 0 FFADHO COC(=O)c1ccc(CNCC2CC[NH+](C)CC2)c(Br)c1 ZINC000226713436 509401651 /nfs/dbraw/zinc/40/16/51/509401651.db2.gz DOUWKVKUOSMITB-UHFFFAOYSA-N 1 3 355.276 2.667 20 0 FFADHO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000264237441 509402106 /nfs/dbraw/zinc/40/21/06/509402106.db2.gz UHEIKSLBYJXFOT-AWEZNQCLSA-N 1 3 369.456 2.739 20 0 FFADHO CC[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000163934766 509441954 /nfs/dbraw/zinc/44/19/54/509441954.db2.gz CRXLGRBQJHCHEJ-FGZHOGPDSA-N 1 3 359.558 2.989 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248701006 509441869 /nfs/dbraw/zinc/44/18/69/509441869.db2.gz AEQLXSLBLFFSNG-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248701003 509442521 /nfs/dbraw/zinc/44/25/21/509442521.db2.gz AEQLXSLBLFFSNG-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000163938617 509443898 /nfs/dbraw/zinc/44/38/98/509443898.db2.gz MQCVOHWYLNKRRC-HXUWFJFHSA-N 1 3 359.558 2.989 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)N(C)Cc1ccccc1 ZINC000182827015 509445165 /nfs/dbraw/zinc/44/51/65/509445165.db2.gz ZQAMCYAHCAQVFB-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)N(C)Cc1ccccc1 ZINC000182827015 509445171 /nfs/dbraw/zinc/44/51/71/509445171.db2.gz ZQAMCYAHCAQVFB-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840515 509455094 /nfs/dbraw/zinc/45/50/94/509455094.db2.gz QUWRBJQLZPDOKJ-MSOLQXFVSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840515 509455100 /nfs/dbraw/zinc/45/51/00/509455100.db2.gz QUWRBJQLZPDOKJ-MSOLQXFVSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)C[NH+]1CCCCC1 ZINC000176434149 509508619 /nfs/dbraw/zinc/50/86/19/509508619.db2.gz RNGPHMYCPMPMBS-KRWDZBQOSA-N 1 3 366.575 2.943 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000236835229 509514775 /nfs/dbraw/zinc/51/47/75/509514775.db2.gz CHEKHVYVILSIOL-CVEARBPZSA-N 1 3 357.420 2.957 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000236880473 509523073 /nfs/dbraw/zinc/52/30/73/509523073.db2.gz CHEKHVYVILSIOL-JKSUJKDBSA-N 1 3 357.420 2.957 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000236878872 509523523 /nfs/dbraw/zinc/52/35/23/509523523.db2.gz HOFSAVWCTYSQOV-LEWJYISDSA-N 1 3 369.509 2.937 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176493333 509542920 /nfs/dbraw/zinc/54/29/20/509542920.db2.gz JOJHMXHFXGIIPS-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000248932601 509548910 /nfs/dbraw/zinc/54/89/10/509548910.db2.gz XYSFMRUBSIRFCW-MMKMLUHNSA-N 1 3 372.557 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000248932601 509548915 /nfs/dbraw/zinc/54/89/15/509548915.db2.gz XYSFMRUBSIRFCW-MMKMLUHNSA-N 1 3 372.557 2.879 20 0 FFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000183025796 509554500 /nfs/dbraw/zinc/55/45/00/509554500.db2.gz QRVITNRTKORBPG-MOPGFXCFSA-N 1 3 350.551 2.768 20 0 FFADHO COCCOc1ccccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000267625123 509571263 /nfs/dbraw/zinc/57/12/63/509571263.db2.gz REMYBHVKZXGCMS-QZTJIDSGSA-N 1 3 350.503 2.691 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)C[C@H](C)O1 ZINC000249031894 509576225 /nfs/dbraw/zinc/57/62/25/509576225.db2.gz RJJVPZKYWXHFBV-XEURGTTOSA-N 1 3 371.525 2.651 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000237124002 509577497 /nfs/dbraw/zinc/57/74/97/509577497.db2.gz MGBWAIATUMFFSK-ZIFCJYIRSA-N 1 3 357.523 2.990 20 0 FFADHO Cc1nc2n(n1)C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036171 509577729 /nfs/dbraw/zinc/57/77/29/509577729.db2.gz SQAXVAFMTZXDQY-WTGUMLROSA-N 1 3 351.498 2.687 20 0 FFADHO Cc1nc2n(n1)C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000249036171 509577736 /nfs/dbraw/zinc/57/77/36/509577736.db2.gz SQAXVAFMTZXDQY-WTGUMLROSA-N 1 3 351.498 2.687 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000186268216 509613852 /nfs/dbraw/zinc/61/38/52/509613852.db2.gz MQJOCAFGTDAFHD-LEWJYISDSA-N 1 3 370.541 2.777 20 0 FFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000237322714 509620852 /nfs/dbraw/zinc/62/08/52/509620852.db2.gz HDIKILPGTBLXQJ-MDZRGWNJSA-N 1 3 363.571 2.861 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)C2(N)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000167540148 509634987 /nfs/dbraw/zinc/63/49/87/509634987.db2.gz BEXXUXDMFOJSCE-UWJYYQICSA-N 1 3 363.505 2.652 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)C2(N)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000167540148 509634992 /nfs/dbraw/zinc/63/49/92/509634992.db2.gz BEXXUXDMFOJSCE-UWJYYQICSA-N 1 3 363.505 2.652 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000249289069 509648450 /nfs/dbraw/zinc/64/84/50/509648450.db2.gz MBYZQHMIPIVDGB-GGPKGHCWSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@H](CC(=O)N(C)C1CCN(CCc2ccccn2)CC1)C1CC[NH2+]CC1 ZINC000237490245 509660207 /nfs/dbraw/zinc/66/02/07/509660207.db2.gz KRRVCDWIIMWXKE-GOSISDBHSA-N 1 3 372.557 2.573 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000189662455 509688340 /nfs/dbraw/zinc/68/83/40/509688340.db2.gz PBVXESSUIBOSOZ-IBGZPJMESA-N 1 3 358.530 2.949 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)s2)[C@@H](C)C1 ZINC000249468712 509688741 /nfs/dbraw/zinc/68/87/41/509688741.db2.gz TVQIRIKVZWLIPQ-GOEBONIOSA-N 1 3 354.516 2.761 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237809972 509740675 /nfs/dbraw/zinc/74/06/75/509740675.db2.gz QDCQZEREAKTGDH-NRFANRHFSA-N 1 3 351.494 2.859 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000249747710 509750611 /nfs/dbraw/zinc/75/06/11/509750611.db2.gz NUJBEVCTYWROIF-FXAWDEMLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCN2C)C1 ZINC000249747710 509750622 /nfs/dbraw/zinc/75/06/22/509750622.db2.gz NUJBEVCTYWROIF-FXAWDEMLSA-N 1 3 358.530 2.812 20 0 FFADHO [NH3+]C[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000237875405 509758906 /nfs/dbraw/zinc/75/89/06/509758906.db2.gz VGOMPUJZSVTSRI-SJLPKXTDSA-N 1 3 369.431 2.638 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000249777311 509761743 /nfs/dbraw/zinc/76/17/43/509761743.db2.gz NXYWXXPDIPMRQJ-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000249777311 509761756 /nfs/dbraw/zinc/76/17/56/509761756.db2.gz NXYWXXPDIPMRQJ-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000173853237 509817928 /nfs/dbraw/zinc/81/79/28/509817928.db2.gz VNABNQIWFXVBPG-YLJYHZDGSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000173853237 509817935 /nfs/dbraw/zinc/81/79/35/509817935.db2.gz VNABNQIWFXVBPG-YLJYHZDGSA-N 1 3 358.530 2.559 20 0 FFADHO CN(CC1CCN(C)CC1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000170880145 509828533 /nfs/dbraw/zinc/82/85/33/509828533.db2.gz YUCQKMLDPVLNST-UHFFFAOYSA-N 1 3 350.551 2.624 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+](CC)CC)C1(C)C ZINC000186733657 509880093 /nfs/dbraw/zinc/88/00/93/509880093.db2.gz YDEDOYPIFAYEBK-RXVVDRJESA-N 1 3 361.530 2.677 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+](CC)CC)C1(C)C ZINC000186733690 509880476 /nfs/dbraw/zinc/88/04/76/509880476.db2.gz YDEDOYPIFAYEBK-NQIIRXRSSA-N 1 3 361.530 2.677 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000245406106 509909286 /nfs/dbraw/zinc/90/92/86/509909286.db2.gz WAZVVINHPSRIHW-PZJWPPBQSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000245406106 509909293 /nfs/dbraw/zinc/90/92/93/509909293.db2.gz WAZVVINHPSRIHW-PZJWPPBQSA-N 1 3 372.557 2.725 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000174117916 509956094 /nfs/dbraw/zinc/95/60/94/509956094.db2.gz CVIRMJOUIXCKSQ-TZIWHRDSSA-N 1 3 372.557 2.979 20 0 FFADHO CN(C[C@@H](O)c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258401 509965171 /nfs/dbraw/zinc/96/51/71/509965171.db2.gz WOVHDTUENSJSIZ-OAQYLSRUSA-N 1 3 357.473 2.893 20 0 FFADHO C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261595111 509994366 /nfs/dbraw/zinc/99/43/66/509994366.db2.gz NWTZLDWSSBUIRC-YYWHXJBOSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261595111 509994373 /nfs/dbraw/zinc/99/43/73/509994373.db2.gz NWTZLDWSSBUIRC-YYWHXJBOSA-N 1 3 351.494 2.583 20 0 FFADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000261842919 510085720 /nfs/dbraw/zinc/08/57/20/510085720.db2.gz UOKIEDVTZUMZEZ-FSSWDIPSSA-N 1 3 363.505 2.852 20 0 FFADHO CN1CCCN(CCC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000268864700 510106355 /nfs/dbraw/zinc/10/63/55/510106355.db2.gz IPYBVIXKMUIYJO-UHFFFAOYSA-N 1 3 366.500 2.551 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)NC3CCCC3)CC2)C[C@@H](C)O1 ZINC000177511139 510106451 /nfs/dbraw/zinc/10/64/51/510106451.db2.gz UZJACNIDKDGMQO-QZTJIDSGSA-N 1 3 365.562 2.647 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000261934582 510121859 /nfs/dbraw/zinc/12/18/59/510121859.db2.gz LWSYPTFKPHBQBX-PKOBYXMFSA-N 1 3 361.555 2.951 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](C[C@H]1CCCNC1)CC2 ZINC000261934582 510121866 /nfs/dbraw/zinc/12/18/66/510121866.db2.gz LWSYPTFKPHBQBX-PKOBYXMFSA-N 1 3 361.555 2.951 20 0 FFADHO C[NH2+]CCC1CCN(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)CC1 ZINC000261979293 510135430 /nfs/dbraw/zinc/13/54/30/510135430.db2.gz HKRAQFZSIPSFBV-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO Cc1ccc2cc(CN3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)ccc2n1 ZINC000261985095 510138406 /nfs/dbraw/zinc/13/84/06/510138406.db2.gz RVCSKYUFGPVKFW-WIYYLYMNSA-N 1 3 366.509 2.623 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000177587732 510147442 /nfs/dbraw/zinc/14/74/42/510147442.db2.gz CBZCZINKVBPZAP-PZJWPPBQSA-N 1 3 372.557 2.578 20 0 FFADHO CC[C@H](c1ccc(Br)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000262027913 510152174 /nfs/dbraw/zinc/15/21/74/510152174.db2.gz YJVLESOZSVVSSJ-GOEBONIOSA-N 1 3 368.319 2.687 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262220725 510213833 /nfs/dbraw/zinc/21/38/33/510213833.db2.gz MPLKEIXYDUKCKN-RDJZCZTQSA-N 1 3 351.441 2.704 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000177723031 510217839 /nfs/dbraw/zinc/21/78/39/510217839.db2.gz OCEUMSDDLINNRJ-FXAWDEMLSA-N 1 3 370.541 2.823 20 0 FFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000245990986 510239738 /nfs/dbraw/zinc/23/97/38/510239738.db2.gz QRVITNRTKORBPG-RBUKOAKNSA-N 1 3 350.551 2.768 20 0 FFADHO CC1CCN([C@H](CNC(=O)c2csc(CC[NH3+])n2)c2ccccc2)CC1 ZINC000262317786 510243834 /nfs/dbraw/zinc/24/38/34/510243834.db2.gz BQUSCVWQDZXVHJ-GOSISDBHSA-N 1 3 372.538 2.847 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)N(C)C)cc1 ZINC000177842915 510284982 /nfs/dbraw/zinc/28/49/82/510284982.db2.gz VVCMMMISCYIGCF-AZUAARDMSA-N 1 3 360.546 2.835 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)N(C)C)cc1 ZINC000177842915 510284991 /nfs/dbraw/zinc/28/49/91/510284991.db2.gz VVCMMMISCYIGCF-AZUAARDMSA-N 1 3 360.546 2.835 20 0 FFADHO O=C(NCC[C@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262589589 510327190 /nfs/dbraw/zinc/32/71/90/510327190.db2.gz QJENLBCBJLTECA-QAPCUYQASA-N 1 3 369.431 2.557 20 0 FFADHO C[C@H]1c2ccccc2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000171729055 510335581 /nfs/dbraw/zinc/33/55/81/510335581.db2.gz DQWORIAGNSGDMS-KRWDZBQOSA-N 1 3 370.541 2.874 20 0 FFADHO C[C@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000262623047 510340535 /nfs/dbraw/zinc/34/05/35/510340535.db2.gz FKMVHHRNHHHEFE-MJGOQNOKSA-N 1 3 357.542 2.965 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1(C)C ZINC000262753135 510398155 /nfs/dbraw/zinc/39/81/55/510398155.db2.gz AHOWXWBANOQNLR-PERKRYKHSA-N 1 3 373.541 2.861 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H](N)c3ccccc3)nc2)CC1 ZINC000269480491 510428872 /nfs/dbraw/zinc/42/88/72/510428872.db2.gz FODFZAJZFQWISQ-LJQANCHMSA-N 1 3 367.497 2.641 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000246416872 510477596 /nfs/dbraw/zinc/47/75/96/510477596.db2.gz BQYBMGQUTJPXSX-NBYUQASBSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000246416872 510477605 /nfs/dbraw/zinc/47/76/05/510477605.db2.gz BQYBMGQUTJPXSX-NBYUQASBSA-N 1 3 356.514 2.528 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246427748 510484870 /nfs/dbraw/zinc/48/48/70/510484870.db2.gz MMINGNGLKIAYNW-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246427748 510484875 /nfs/dbraw/zinc/48/48/75/510484875.db2.gz MMINGNGLKIAYNW-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC000246429316 510486161 /nfs/dbraw/zinc/48/61/61/510486161.db2.gz MVVPSGCHMRSCHU-OALUTQOASA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC000246429316 510486165 /nfs/dbraw/zinc/48/61/65/510486165.db2.gz MVVPSGCHMRSCHU-OALUTQOASA-N 1 3 360.498 2.771 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)CC1 ZINC000175114214 510487486 /nfs/dbraw/zinc/48/74/86/510487486.db2.gz KLXUNXBWMGHPLX-UHFFFAOYSA-N 1 3 372.557 2.868 20 0 FFADHO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)nc2)C1 ZINC000269645414 510497420 /nfs/dbraw/zinc/49/74/20/510497420.db2.gz HTBXEJOZTUHYHG-MOPGFXCFSA-N 1 3 371.529 2.567 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000175251048 510552516 /nfs/dbraw/zinc/55/25/16/510552516.db2.gz JTOSIHHISRTACL-UHFFFAOYSA-N 1 3 360.546 2.991 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000175251048 510552524 /nfs/dbraw/zinc/55/25/24/510552524.db2.gz JTOSIHHISRTACL-UHFFFAOYSA-N 1 3 360.546 2.991 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000178404186 510585962 /nfs/dbraw/zinc/58/59/62/510585962.db2.gz IFXGPSNOXOIQEC-UXHICEINSA-N 1 3 374.529 2.638 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188121158 510603989 /nfs/dbraw/zinc/60/39/89/510603989.db2.gz OLTZLMXNTKMGIV-INIZCTEOSA-N 1 3 368.363 2.997 20 0 FFADHO C[C@H](NC1(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CCOCC1)c1ccccc1 ZINC000263214995 510615077 /nfs/dbraw/zinc/61/50/77/510615077.db2.gz KTKVRLGFQQLBKX-HFSMHLIXSA-N 1 3 373.541 2.910 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000263263184 510636389 /nfs/dbraw/zinc/63/63/89/510636389.db2.gz MXBMHUTYYHTKOI-CSNJMZFVSA-N 1 3 361.555 2.997 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CC2)cc1 ZINC000263272249 510639353 /nfs/dbraw/zinc/63/93/53/510639353.db2.gz SKAOGKSTRLXHRM-IFMALSPDSA-N 1 3 373.541 2.931 20 0 FFADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000188207634 510648948 /nfs/dbraw/zinc/64/89/48/510648948.db2.gz CACAECUVUHXTDU-MRXNPFEDSA-N 1 3 357.473 2.838 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC3(C[NH+](C)C)CCCC3)cc2)CC1 ZINC000185079176 510673060 /nfs/dbraw/zinc/67/30/60/510673060.db2.gz AVQTZVQFIUZOHG-UHFFFAOYSA-N 1 3 372.557 2.680 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000246790989 510675362 /nfs/dbraw/zinc/67/53/62/510675362.db2.gz BMDABCVOSOVPRJ-JTDSTZFVSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246793355 510676875 /nfs/dbraw/zinc/67/68/75/510676875.db2.gz MKBDBMRDIGWHCG-MBOZVWFJSA-N 1 3 373.545 2.589 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246793355 510676877 /nfs/dbraw/zinc/67/68/77/510676877.db2.gz MKBDBMRDIGWHCG-MBOZVWFJSA-N 1 3 373.545 2.589 20 0 FFADHO COC[C@@H]1CCCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246812029 510688815 /nfs/dbraw/zinc/68/88/15/510688815.db2.gz RPOVYUZKEVXGOF-AZUAARDMSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000266675933 510723292 /nfs/dbraw/zinc/72/32/92/510723292.db2.gz PFEFYNAVJXADFA-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000266675933 510723298 /nfs/dbraw/zinc/72/32/98/510723298.db2.gz PFEFYNAVJXADFA-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178732945 510742636 /nfs/dbraw/zinc/74/26/36/510742636.db2.gz FUTZUVCNNIOEAN-UHFFFAOYSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000246918017 510745784 /nfs/dbraw/zinc/74/57/84/510745784.db2.gz GGBBWVRRQZADBZ-NAIAOIPJSA-N 1 3 373.541 2.754 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246967376 510773795 /nfs/dbraw/zinc/77/37/95/510773795.db2.gz IFDQBJXZRSLDDQ-KCQAQPDRSA-N 1 3 353.894 2.996 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246967376 510773799 /nfs/dbraw/zinc/77/37/99/510773799.db2.gz IFDQBJXZRSLDDQ-KCQAQPDRSA-N 1 3 353.894 2.996 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000175789316 510791844 /nfs/dbraw/zinc/79/18/44/510791844.db2.gz NTHJZPHQANJKKY-ZCNNSNEGSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000175789357 510793046 /nfs/dbraw/zinc/79/30/46/510793046.db2.gz NTHJZPHQANJKKY-AQNXPRMDSA-N 1 3 358.530 2.996 20 0 FFADHO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000182263466 510837494 /nfs/dbraw/zinc/83/74/94/510837494.db2.gz SSMSJYYQUMXBBV-VXKWHMMOSA-N 1 3 354.494 2.601 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247307842 510856406 /nfs/dbraw/zinc/85/64/06/510856406.db2.gz GTOLGCWCXOECAC-CEXWTWQISA-N 1 3 350.551 2.767 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)N(C)C)cc1 ZINC000247324148 510857017 /nfs/dbraw/zinc/85/70/17/510857017.db2.gz WKPWUKDGWJOBLL-ZCNNSNEGSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)N(C)C)cc1 ZINC000247324148 510857018 /nfs/dbraw/zinc/85/70/18/510857018.db2.gz WKPWUKDGWJOBLL-ZCNNSNEGSA-N 1 3 358.530 2.723 20 0 FFADHO O=C1C[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)CN1Cc1ccccc1 ZINC000294350148 511035983 /nfs/dbraw/zinc/03/59/83/511035983.db2.gz ZFIYAZZJONJIHH-LJQANCHMSA-N 1 3 364.493 2.689 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000279523936 511114930 /nfs/dbraw/zinc/11/49/30/511114930.db2.gz TUFAWHCTEIZHEW-XKGZKEIXSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000279523936 511114934 /nfs/dbraw/zinc/11/49/34/511114934.db2.gz TUFAWHCTEIZHEW-XKGZKEIXSA-N 1 3 359.514 2.679 20 0 FFADHO C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000362079592 511128150 /nfs/dbraw/zinc/12/81/50/511128150.db2.gz PUYJMZXQTMSZLE-VQIMIIECSA-N 1 3 351.922 2.677 20 0 FFADHO C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000362079592 511128153 /nfs/dbraw/zinc/12/81/53/511128153.db2.gz PUYJMZXQTMSZLE-VQIMIIECSA-N 1 3 351.922 2.677 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000271379383 511183839 /nfs/dbraw/zinc/18/38/39/511183839.db2.gz JFHNNNFYHCZZEG-FQEVSTJZSA-N 1 3 356.514 2.821 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000271379383 511183845 /nfs/dbraw/zinc/18/38/45/511183845.db2.gz JFHNNNFYHCZZEG-FQEVSTJZSA-N 1 3 356.514 2.821 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291605170 511264686 /nfs/dbraw/zinc/26/46/86/511264686.db2.gz FRWFAVRBGSMJKF-HXUWFJFHSA-N 1 3 359.514 2.680 20 0 FFADHO CC(C)[C@@H](CCO)NCc1cc(C[NH2+][C@H](CCO)C(C)C)ccc1F ZINC000295065825 511268255 /nfs/dbraw/zinc/26/82/55/511268255.db2.gz VUTKDMYEOFCGOV-WOJBJXKFSA-N 1 3 354.510 2.819 20 0 FFADHO O=C(c1ccccc1)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298536749 511320229 /nfs/dbraw/zinc/32/02/29/511320229.db2.gz SPYDHPHWPSXLFI-UHFFFAOYSA-N 1 3 364.493 2.945 20 0 FFADHO c1ccc([C@@H](CN2CCOCC2)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298582663 511337379 /nfs/dbraw/zinc/33/73/79/511337379.db2.gz XXSJSWKTHSKHHV-JOCHJYFZSA-N 1 3 366.509 2.714 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OCC)c(C)[nH]2)[C@@H](C)C1 ZINC000295251752 511338173 /nfs/dbraw/zinc/33/81/73/511338173.db2.gz UGTOYSMPHYEUSC-HNAYVOBHSA-N 1 3 365.518 2.726 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280148424 511353050 /nfs/dbraw/zinc/35/30/50/511353050.db2.gz FBWOVUSOSUOMSA-QZTJIDSGSA-N 1 3 363.546 2.813 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000283628544 511441614 /nfs/dbraw/zinc/44/16/14/511441614.db2.gz BISSAWIVJJIJGT-KSSFIOAISA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000283628544 511441617 /nfs/dbraw/zinc/44/16/17/511441617.db2.gz BISSAWIVJJIJGT-KSSFIOAISA-N 1 3 364.921 2.726 20 0 FFADHO OC1CCN(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000295831973 511529185 /nfs/dbraw/zinc/52/91/85/511529185.db2.gz CSVLGMUSTVXLBO-MDNUFGMLSA-N 1 3 371.569 2.724 20 0 FFADHO OC1CCN(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000295831973 511529190 /nfs/dbraw/zinc/52/91/90/511529190.db2.gz CSVLGMUSTVXLBO-MDNUFGMLSA-N 1 3 371.569 2.724 20 0 FFADHO OC1CCN(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000295831969 511529220 /nfs/dbraw/zinc/52/92/20/511529220.db2.gz CSVLGMUSTVXLBO-AKIFATBCSA-N 1 3 371.569 2.724 20 0 FFADHO OC1CCN(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000295831969 511529226 /nfs/dbraw/zinc/52/92/26/511529226.db2.gz CSVLGMUSTVXLBO-AKIFATBCSA-N 1 3 371.569 2.724 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000363454427 511563016 /nfs/dbraw/zinc/56/30/16/511563016.db2.gz NQPBXPUHKWLTPK-HNNXBMFYSA-N 1 3 352.548 2.600 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000312107210 511782854 /nfs/dbraw/zinc/78/28/54/511782854.db2.gz KRYSACMUVLSMBO-HLAWJBBLSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000312107210 511782858 /nfs/dbraw/zinc/78/28/58/511782858.db2.gz KRYSACMUVLSMBO-HLAWJBBLSA-N 1 3 355.526 2.841 20 0 FFADHO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000296601525 511814208 /nfs/dbraw/zinc/81/42/08/511814208.db2.gz AMSJWPHKSIKYLF-UHFFFAOYSA-N 1 3 370.541 2.921 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000366266196 511930404 /nfs/dbraw/zinc/93/04/04/511930404.db2.gz OLSJRXUELVLEEK-OYRHEFFESA-N 1 3 363.505 2.952 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000366266196 511930410 /nfs/dbraw/zinc/93/04/10/511930410.db2.gz OLSJRXUELVLEEK-OYRHEFFESA-N 1 3 363.505 2.952 20 0 FFADHO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1F ZINC000364229217 512031964 /nfs/dbraw/zinc/03/19/64/512031964.db2.gz WOWFFNOQJBBBBF-WMZOPIPTSA-N 1 3 363.521 2.771 20 0 FFADHO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1F ZINC000364229215 512032030 /nfs/dbraw/zinc/03/20/30/512032030.db2.gz WOWFFNOQJBBBBF-FUHWJXTLSA-N 1 3 363.521 2.771 20 0 FFADHO CCC1(C[NH2+][C@@H](C)CS(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000360062237 512070708 /nfs/dbraw/zinc/07/07/08/512070708.db2.gz VHSPGRWZEBLGFF-KRWDZBQOSA-N 1 3 352.544 2.702 20 0 FFADHO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282141606 512087286 /nfs/dbraw/zinc/08/72/86/512087286.db2.gz CBVKVHNOPYKKRI-GOSISDBHSA-N 1 3 363.546 2.641 20 0 FFADHO CC(C)(CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000377816034 512463310 /nfs/dbraw/zinc/46/33/10/512463310.db2.gz BLQKNXCLWYPZOJ-VQTJNVASSA-N 1 3 355.526 2.575 20 0 FFADHO CN(C)[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000411146228 512489582 /nfs/dbraw/zinc/48/95/82/512489582.db2.gz NDDUBAIFDMDJTC-MOPGFXCFSA-N 1 3 361.555 2.623 20 0 FFADHO c1cc(CN2CCCCC2)cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000411315075 512577454 /nfs/dbraw/zinc/57/74/54/512577454.db2.gz SPEBXEORHLGJGY-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO c1cc(CN2CCCCC2)cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000411315075 512577457 /nfs/dbraw/zinc/57/74/57/512577457.db2.gz SPEBXEORHLGJGY-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO C[C@@H]1[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1c1ccccc1 ZINC000369877873 512660478 /nfs/dbraw/zinc/66/04/78/512660478.db2.gz MEYRASZPROIKFK-ORYQWCPZSA-N 1 3 355.526 2.711 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000369891492 512668076 /nfs/dbraw/zinc/66/80/76/512668076.db2.gz DWXIIJWPFYGFMN-MUGJNUQGSA-N 1 3 373.545 2.589 20 0 FFADHO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374155546 512682441 /nfs/dbraw/zinc/68/24/41/512682441.db2.gz BMBQMQMDTGCFFU-MJGOQNOKSA-N 1 3 371.525 2.823 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411550400 512684860 /nfs/dbraw/zinc/68/48/60/512684860.db2.gz KQRYXGBGZAVEOT-PKOBYXMFSA-N 1 3 374.529 2.604 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000372066844 512701429 /nfs/dbraw/zinc/70/14/29/512701429.db2.gz QMNJOMYPMASKQD-XPNTWCBSSA-N 1 3 372.601 2.760 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374196483 512703664 /nfs/dbraw/zinc/70/36/64/512703664.db2.gz AHPYXNFZBREOLN-KAGYGMCKSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374196483 512703669 /nfs/dbraw/zinc/70/36/69/512703669.db2.gz AHPYXNFZBREOLN-KAGYGMCKSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1=CCN(C)CC1 ZINC000370000017 512720742 /nfs/dbraw/zinc/72/07/42/512720742.db2.gz SIEARMUAFJURMI-OALUTQOASA-N 1 3 362.562 2.934 20 0 FFADHO C[C@@H]1C[N@H+](CCSc2ccccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000374296809 512751435 /nfs/dbraw/zinc/75/14/35/512751435.db2.gz OWXAUSIITQBCDK-SJLPKXTDSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@@H]1C[N@@H+](CCSc2ccccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000374296809 512751440 /nfs/dbraw/zinc/75/14/40/512751440.db2.gz OWXAUSIITQBCDK-SJLPKXTDSA-N 1 3 351.535 2.876 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCC2=CCN(C)CC2)CC1 ZINC000378451410 512764840 /nfs/dbraw/zinc/76/48/40/512764840.db2.gz JROBBUQMRWZCAD-UHFFFAOYSA-N 1 3 356.514 2.521 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)cc2)CC1 ZINC000376561773 512874552 /nfs/dbraw/zinc/87/45/52/512874552.db2.gz JJOQXELEHRZYGQ-GHTZIAJQSA-N 1 3 370.541 2.527 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114424 512914442 /nfs/dbraw/zinc/91/44/42/512914442.db2.gz GOCFSWOKWDEFKQ-OCCSQVGLSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114424 512914446 /nfs/dbraw/zinc/91/44/46/512914446.db2.gz GOCFSWOKWDEFKQ-OCCSQVGLSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114424 512914451 /nfs/dbraw/zinc/91/44/51/512914451.db2.gz GOCFSWOKWDEFKQ-OCCSQVGLSA-N 1 3 359.297 2.807 20 0 FFADHO CC(C)COC[C@H](O)CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000368388372 512925703 /nfs/dbraw/zinc/92/57/03/512925703.db2.gz QTJVUYHOWDVJRJ-MJGOQNOKSA-N 1 3 362.514 2.598 20 0 FFADHO COCc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397501082 512946317 /nfs/dbraw/zinc/94/63/17/512946317.db2.gz YHPQVGHZNIRXRA-UHFFFAOYSA-N 1 3 354.494 2.950 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1=CCN(C)CC1 ZINC000374737175 512978526 /nfs/dbraw/zinc/97/85/26/512978526.db2.gz SNTJMKVETBGABO-GBESFXJTSA-N 1 3 362.562 2.933 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1=CCN(C)CC1 ZINC000374737175 512978533 /nfs/dbraw/zinc/97/85/33/512978533.db2.gz SNTJMKVETBGABO-GBESFXJTSA-N 1 3 362.562 2.933 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H](N)c1ccccc1 ZINC000374883586 513054759 /nfs/dbraw/zinc/05/47/59/513054759.db2.gz SIOYCPPUWKOZST-PSAKCFHXSA-N 1 3 355.457 2.724 20 0 FFADHO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370709449 513064311 /nfs/dbraw/zinc/06/43/11/513064311.db2.gz JMSFOJWVJRKLQM-OXJNMPFZSA-N 1 3 371.504 2.674 20 0 FFADHO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370709449 513064312 /nfs/dbraw/zinc/06/43/12/513064312.db2.gz JMSFOJWVJRKLQM-OXJNMPFZSA-N 1 3 371.504 2.674 20 0 FFADHO CN1CCC2(CCCN2C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000372835885 513065878 /nfs/dbraw/zinc/06/58/78/513065878.db2.gz GPYOWZNLIYVOFF-UHFFFAOYSA-N 1 3 350.551 2.912 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000377034973 513095851 /nfs/dbraw/zinc/09/58/51/513095851.db2.gz QXSBNAYXLGRXIB-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CCC1 ZINC000445876124 513135913 /nfs/dbraw/zinc/13/59/13/513135913.db2.gz SMQQYEWHRCZAIS-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000424430107 513141792 /nfs/dbraw/zinc/14/17/92/513141792.db2.gz ZDPKCRSLXSAHQC-UHFFFAOYSA-N 1 3 353.470 2.887 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000424432404 513143196 /nfs/dbraw/zinc/14/31/96/513143196.db2.gz HIGCQCPMBRPYCA-CALCHBBNSA-N 1 3 374.529 2.807 20 0 FFADHO Cc1ccc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)c(OCCN(C)C)c1 ZINC000415206675 513152917 /nfs/dbraw/zinc/15/29/17/513152917.db2.gz SREKLKBBKPJPOS-IBGZPJMESA-N 1 3 350.507 2.820 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC([NH3+])CC1 ZINC000417674784 513153350 /nfs/dbraw/zinc/15/33/50/513153350.db2.gz AUGPPJODZBIHLP-LJQANCHMSA-N 1 3 358.530 2.592 20 0 FFADHO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000439626233 513154068 /nfs/dbraw/zinc/15/40/68/513154068.db2.gz VZTYJAYFNVOPSG-NSISKUIASA-N 1 3 373.541 2.559 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417689017 513162052 /nfs/dbraw/zinc/16/20/52/513162052.db2.gz SLMMNGXPUMJRNP-AHRSYUTCSA-N 1 3 372.557 2.757 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000417690806 513164398 /nfs/dbraw/zinc/16/43/98/513164398.db2.gz LWSQIQVWZDTESH-DLBZAZTESA-N 1 3 358.530 2.981 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000417692353 513165047 /nfs/dbraw/zinc/16/50/47/513165047.db2.gz YCAWUOLWEGWZHI-IBGZPJMESA-N 1 3 372.557 2.901 20 0 FFADHO CN(C)C1(CNC(=O)N(CCC[NH3+])CC2CCCC2)Cc2ccccc2C1 ZINC000417735187 513187792 /nfs/dbraw/zinc/18/77/92/513187792.db2.gz LCOIHABNLBVRNO-UHFFFAOYSA-N 1 3 372.557 2.636 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417747447 513193464 /nfs/dbraw/zinc/19/34/64/513193464.db2.gz RLJIVCGJDDNHIF-GOEBONIOSA-N 1 3 372.435 2.736 20 0 FFADHO CN(CC[NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417748790 513195002 /nfs/dbraw/zinc/19/50/02/513195002.db2.gz SVRCUGFHOGEIDT-GDBMZVCRSA-N 1 3 372.435 2.688 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000446138565 513195616 /nfs/dbraw/zinc/19/56/16/513195616.db2.gz LQJRBWRXCOUSKR-LMVRJCEZSA-N 1 3 373.541 2.718 20 0 FFADHO CN(C(=O)C12CCCN1CCC2)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000415332522 513207835 /nfs/dbraw/zinc/20/78/35/513207835.db2.gz UZKFMBIFVGANQP-UHFFFAOYSA-N 1 3 357.498 2.752 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417795122 513211529 /nfs/dbraw/zinc/21/15/29/513211529.db2.gz NUFILTRJHATUSZ-AZUAARDMSA-N 1 3 358.530 2.813 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417795122 513211534 /nfs/dbraw/zinc/21/15/34/513211534.db2.gz NUFILTRJHATUSZ-AZUAARDMSA-N 1 3 358.530 2.813 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000417838776 513230077 /nfs/dbraw/zinc/23/00/77/513230077.db2.gz NIAUMWXPHUGMDO-RAUXBKROSA-N 1 3 358.530 2.808 20 0 FFADHO CCCN1C[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1=O ZINC000421355767 513234345 /nfs/dbraw/zinc/23/43/45/513234345.db2.gz VAPSIAQTYUDLIV-DOIPELPJSA-N 1 3 355.526 2.745 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000417901701 513266156 /nfs/dbraw/zinc/26/61/56/513266156.db2.gz OGZRTPIBKWSSAH-SFTDATJTSA-N 1 3 351.494 2.871 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000417945690 513296795 /nfs/dbraw/zinc/29/67/95/513296795.db2.gz QVWHSQFOOGWXNL-BURNTYAHSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H](NC(=O)NC[C@H](N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982548 513317484 /nfs/dbraw/zinc/31/74/84/513317484.db2.gz AJECDORJDYEYFT-WMQCIHAUSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@H](NC(=O)NC[C@H](N)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982548 513317493 /nfs/dbraw/zinc/31/74/93/513317493.db2.gz AJECDORJDYEYFT-WMQCIHAUSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418006333 513330047 /nfs/dbraw/zinc/33/00/47/513330047.db2.gz DYZPPTFHTATKIG-RXVVDRJESA-N 1 3 366.509 2.677 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC2(CC2)CC1 ZINC000434461320 513332015 /nfs/dbraw/zinc/33/20/15/513332015.db2.gz WHDUWTAUZCIMSY-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC2(CC2)CC1 ZINC000434461320 513332021 /nfs/dbraw/zinc/33/20/21/513332021.db2.gz WHDUWTAUZCIMSY-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CCCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000418020387 513337118 /nfs/dbraw/zinc/33/71/18/513337118.db2.gz ZUZHOJBPZFAJDE-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000418020386 513337674 /nfs/dbraw/zinc/33/76/74/513337674.db2.gz ZUZHOJBPZFAJDE-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000418020384 513337759 /nfs/dbraw/zinc/33/77/59/513337759.db2.gz ZUZHOJBPZFAJDE-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(CC(F)F)C2)CC1 ZINC000418139431 513387603 /nfs/dbraw/zinc/38/76/03/513387603.db2.gz UPKVFMJCESSIIZ-SFHVURJKSA-N 1 3 366.500 2.648 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000418148124 513391726 /nfs/dbraw/zinc/39/17/26/513391726.db2.gz QUXJDKULEYENDR-LSTHTHJFSA-N 1 3 358.530 2.523 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000418147673 513391767 /nfs/dbraw/zinc/39/17/67/513391767.db2.gz QUJMIDFYISNZKB-YSIASYRMSA-N 1 3 358.530 2.714 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)C1CC[NH2+]CC1 ZINC000418151787 513392573 /nfs/dbraw/zinc/39/25/73/513392573.db2.gz GBEHFPGAPIPWGL-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418150735 513393401 /nfs/dbraw/zinc/39/34/01/513393401.db2.gz DIDHKNQKCCOWFT-WOJBJXKFSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)(C[NH3+])NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418162084 513399914 /nfs/dbraw/zinc/39/99/14/513399914.db2.gz URJUWTHUDNFGBL-VQTJNVASSA-N 1 3 366.509 2.691 20 0 FFADHO C[C@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000418192915 513414836 /nfs/dbraw/zinc/41/48/36/513414836.db2.gz ZETFFNSWFANJGR-DBVUQKKJSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418203252 513420331 /nfs/dbraw/zinc/42/03/31/513420331.db2.gz KBZWSKBWFCBFSR-UYAOXDASSA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000418209077 513423057 /nfs/dbraw/zinc/42/30/57/513423057.db2.gz REOTZYSQDYTZDG-HBFSDRIKSA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418234083 513434768 /nfs/dbraw/zinc/43/47/68/513434768.db2.gz HZYWHMNBISWXLB-OALUTQOASA-N 1 3 350.551 2.528 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000421814877 513442641 /nfs/dbraw/zinc/44/26/41/513442641.db2.gz RUGVWVFXFIYBLB-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000421814877 513442651 /nfs/dbraw/zinc/44/26/51/513442651.db2.gz RUGVWVFXFIYBLB-AZUAARDMSA-N 1 3 374.529 2.568 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418338800 513470454 /nfs/dbraw/zinc/47/04/54/513470454.db2.gz DIJWEKFDIWZXIL-OAQYLSRUSA-N 1 3 372.557 2.726 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418340336 513471962 /nfs/dbraw/zinc/47/19/62/513471962.db2.gz GIFHDLLMRFWWBY-TYPHKJRUSA-N 1 3 370.541 2.540 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccccc2CNC)CC1 ZINC000415912889 513474475 /nfs/dbraw/zinc/47/44/75/513474475.db2.gz NHLVYPPXODMSOF-UHFFFAOYSA-N 1 3 362.518 2.761 20 0 FFADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000415924846 513481666 /nfs/dbraw/zinc/48/16/66/513481666.db2.gz WQPDMEPGTIRNOW-INIZCTEOSA-N 1 3 360.502 2.513 20 0 FFADHO CCCN(C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418374517 513488954 /nfs/dbraw/zinc/48/89/54/513488954.db2.gz CUJNDZVZBNLOCF-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418397246 513494323 /nfs/dbraw/zinc/49/43/23/513494323.db2.gz BZSBJHIGDJARIN-MISYRCLQSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418418267 513501450 /nfs/dbraw/zinc/50/14/50/513501450.db2.gz VYPYTTDRLAMNEQ-KBXCAEBGSA-N 1 3 368.472 2.556 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000418425054 513503475 /nfs/dbraw/zinc/50/34/75/513503475.db2.gz HSWXFQQUTBMMND-MSOLQXFVSA-N 1 3 360.889 2.942 20 0 FFADHO C[NH+](C)CCOCCN[C@H]1CCCOc2c(Br)cccc21 ZINC000447601937 513520781 /nfs/dbraw/zinc/52/07/81/513520781.db2.gz QWFFRFSHQRNRNZ-HNNXBMFYSA-N 1 3 357.292 2.831 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418483036 513528040 /nfs/dbraw/zinc/52/80/40/513528040.db2.gz FELSCNUFDLOVQU-IBGZPJMESA-N 1 3 354.498 2.871 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418489109 513529602 /nfs/dbraw/zinc/52/96/02/513529602.db2.gz NYPMPWJGYQKCQM-OXQOHEQNSA-N 1 3 354.498 2.823 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418489109 513529607 /nfs/dbraw/zinc/52/96/07/513529607.db2.gz NYPMPWJGYQKCQM-OXQOHEQNSA-N 1 3 354.498 2.823 20 0 FFADHO CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1CCN(Cc2ccccc2)CC1 ZINC000416004911 513533198 /nfs/dbraw/zinc/53/31/98/513533198.db2.gz JCGAJWQKATUYTF-MRXNPFEDSA-N 1 3 372.435 2.572 20 0 FFADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418497143 513533482 /nfs/dbraw/zinc/53/34/82/513533482.db2.gz GZGHFTQDAGRGPU-MOPGFXCFSA-N 1 3 354.498 2.917 20 0 FFADHO CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1CCN(Cc2ccccc2)CC1 ZINC000416004910 513534058 /nfs/dbraw/zinc/53/40/58/513534058.db2.gz JCGAJWQKATUYTF-INIZCTEOSA-N 1 3 372.435 2.572 20 0 FFADHO CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000416013795 513538947 /nfs/dbraw/zinc/53/89/47/513538947.db2.gz URJRHHUGCPRZCN-JKSUJKDBSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418516674 513541395 /nfs/dbraw/zinc/54/13/95/513541395.db2.gz CQBLTKHKGCLNPN-CYBMUJFWSA-N 1 3 360.424 2.516 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)CCCN1C ZINC000435268536 513545894 /nfs/dbraw/zinc/54/58/94/513545894.db2.gz NCHGKMUGBKPMBC-RLLQIKCJSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)CCCN1C ZINC000435268536 513545901 /nfs/dbraw/zinc/54/59/01/513545901.db2.gz NCHGKMUGBKPMBC-RLLQIKCJSA-N 1 3 373.545 2.560 20 0 FFADHO CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418541619 513549802 /nfs/dbraw/zinc/54/98/02/513549802.db2.gz FAFVNRMKQGNYEX-KVPLUYHFSA-N 1 3 358.530 2.851 20 0 FFADHO COc1cc2nccc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)c2cc1OC ZINC000413262523 513555523 /nfs/dbraw/zinc/55/55/23/513555523.db2.gz HPBXNZOUXAFZJN-OAHLLOKOSA-N 1 3 371.481 2.942 20 0 FFADHO COc1cc2nccc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)c2cc1OC ZINC000413262523 513555528 /nfs/dbraw/zinc/55/55/28/513555528.db2.gz HPBXNZOUXAFZJN-OAHLLOKOSA-N 1 3 371.481 2.942 20 0 FFADHO COC(=O)[C@H](CCN1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000425422825 513557001 /nfs/dbraw/zinc/55/70/01/513557001.db2.gz SRSVHRDNYIWACG-OAQYLSRUSA-N 1 3 374.525 2.910 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418564535 513560500 /nfs/dbraw/zinc/56/05/00/513560500.db2.gz WXMZOJDKVGJQAT-CBQOVEMMSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451187190 513575495 /nfs/dbraw/zinc/57/54/95/513575495.db2.gz OSJUPKINDRGHSA-LLGFUMIMSA-N 1 3 355.526 2.996 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000418612173 513577530 /nfs/dbraw/zinc/57/75/30/513577530.db2.gz VMUCBYMVQJARRC-SYYKKAFVSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000425463943 513579884 /nfs/dbraw/zinc/57/98/84/513579884.db2.gz JGKQBCFGWHXJIJ-YSIASYRMSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418620070 513579918 /nfs/dbraw/zinc/57/99/18/513579918.db2.gz KGFWLXIHFRIDDB-XLIONFOSSA-N 1 3 358.530 2.667 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000430221076 513592358 /nfs/dbraw/zinc/59/23/58/513592358.db2.gz BNUXGKXVUZPURS-TZIWHRDSSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@@H](C)C1 ZINC000418653743 513594342 /nfs/dbraw/zinc/59/43/42/513594342.db2.gz AXYYNOVZFMSUQN-CUDHKJQZSA-N 1 3 358.530 2.838 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000422154778 513603356 /nfs/dbraw/zinc/60/33/56/513603356.db2.gz IJVFQLUIEZXOQN-UXHICEINSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000422154778 513603359 /nfs/dbraw/zinc/60/33/59/513603359.db2.gz IJVFQLUIEZXOQN-UXHICEINSA-N 1 3 358.530 2.868 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000418692330 513615165 /nfs/dbraw/zinc/61/51/65/513615165.db2.gz FOISGGBAVUIRMT-QWHCGFSZSA-N 1 3 360.424 2.514 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000418794040 513660326 /nfs/dbraw/zinc/66/03/26/513660326.db2.gz QQZZSJZBSVNIGT-RSPOEFSDSA-N 1 3 358.530 2.808 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000418799176 513660659 /nfs/dbraw/zinc/66/06/59/513660659.db2.gz TWPBLYGNDQZILJ-BVOGOJNSSA-N 1 3 370.541 2.538 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000430558187 513688233 /nfs/dbraw/zinc/68/82/33/513688233.db2.gz VHFIKUBXINHKOG-RYUDHWBXSA-N 1 3 372.282 2.976 20 0 FFADHO COc1cnccc1N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451369685 513705048 /nfs/dbraw/zinc/70/50/48/513705048.db2.gz BQXZUQYORLOELK-LJQANCHMSA-N 1 3 372.513 2.536 20 0 FFADHO COc1cnccc1N1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451369685 513705059 /nfs/dbraw/zinc/70/50/59/513705059.db2.gz BQXZUQYORLOELK-LJQANCHMSA-N 1 3 372.513 2.536 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430773045 513745902 /nfs/dbraw/zinc/74/59/02/513745902.db2.gz PQPOAUMURGTTCM-LJQANCHMSA-N 1 3 356.514 2.984 20 0 FFADHO CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000442709372 513755813 /nfs/dbraw/zinc/75/58/13/513755813.db2.gz BVSPAMSHIBIGJJ-GOSISDBHSA-N 1 3 360.502 2.957 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000448470635 513764478 /nfs/dbraw/zinc/76/44/78/513764478.db2.gz HATFEZGWKARSNI-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000448470635 513764480 /nfs/dbraw/zinc/76/44/80/513764480.db2.gz HATFEZGWKARSNI-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CN(C)C ZINC000425918148 513797776 /nfs/dbraw/zinc/79/77/76/513797776.db2.gz DIUYRCKZBUZIOC-SJORKVTESA-N 1 3 367.559 2.710 20 0 FFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCN3CCN(C)C(C)(C)C3)CC2)C1 ZINC000442873564 513800603 /nfs/dbraw/zinc/80/06/03/513800603.db2.gz RGMZVPTVTAZTBY-UYAOXDASSA-N 1 3 350.595 2.645 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000436287717 513817025 /nfs/dbraw/zinc/81/70/25/513817025.db2.gz JVJUIHOWWVZECD-FPQWYMTMSA-N 1 3 367.493 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000436287717 513817029 /nfs/dbraw/zinc/81/70/29/513817029.db2.gz JVJUIHOWWVZECD-FPQWYMTMSA-N 1 3 367.493 2.810 20 0 FFADHO O=C1c2ccccc2C(=O)N1C1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000436287717 513817033 /nfs/dbraw/zinc/81/70/33/513817033.db2.gz JVJUIHOWWVZECD-FPQWYMTMSA-N 1 3 367.493 2.810 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058062 513857582 /nfs/dbraw/zinc/85/75/82/513857582.db2.gz IZGCTGGMPMYHLC-PXNSSMCTSA-N 1 3 359.514 2.810 20 0 FFADHO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443064135 513861368 /nfs/dbraw/zinc/86/13/68/513861368.db2.gz BXKKFTXBHVGWDS-HZPDHXFCSA-N 1 3 367.921 2.627 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4cnccc4c3)CC2)CC1 ZINC000448834956 513922232 /nfs/dbraw/zinc/92/22/32/513922232.db2.gz KZPBJACBAADRAZ-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO O=C1CCCCCN1CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422759442 513924196 /nfs/dbraw/zinc/92/41/96/513924196.db2.gz PARPQXUDQIPUFT-GHTZIAJQSA-N 1 3 357.498 2.625 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)CC[NH2+]CC1 ZINC000422803846 513937627 /nfs/dbraw/zinc/93/76/27/513937627.db2.gz JSQPCVMVUJGCPG-CABCVRRESA-N 1 3 361.486 2.617 20 0 FFADHO Fc1ccc(N2CCN(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422804262 513937891 /nfs/dbraw/zinc/93/78/91/513937891.db2.gz FATAZWRBMDJNAW-BHDDXSALSA-N 1 3 374.548 2.848 20 0 FFADHO CC(C)C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422805933 513939208 /nfs/dbraw/zinc/93/92/08/513939208.db2.gz MTQBJFLDCAWPKY-CBQOVEMMSA-N 1 3 373.541 2.579 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416778387 513962411 /nfs/dbraw/zinc/96/24/11/513962411.db2.gz AJKGWDUPJLKBHG-LEWJYISDSA-N 1 3 370.541 2.997 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC[NH2+]CC1 ZINC000416778412 513962533 /nfs/dbraw/zinc/96/25/33/513962533.db2.gz AKQVPYUFHMNJPQ-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO N[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894863 513968304 /nfs/dbraw/zinc/96/83/04/513968304.db2.gz USBKCXCGSHEOHM-IAGOWNOFSA-N 1 3 352.320 2.883 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422894863 513968310 /nfs/dbraw/zinc/96/83/10/513968310.db2.gz USBKCXCGSHEOHM-IAGOWNOFSA-N 1 3 352.320 2.883 20 0 FFADHO [NH3+]C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000416793836 513970430 /nfs/dbraw/zinc/97/04/30/513970430.db2.gz OHXFEUIVLUAMTN-FQEVSTJZSA-N 1 3 358.530 2.858 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422906115 513971202 /nfs/dbraw/zinc/97/12/02/513971202.db2.gz JDYSLHHORVDWQB-BBRMVZONSA-N 1 3 368.319 2.515 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000422906115 513971205 /nfs/dbraw/zinc/97/12/05/513971205.db2.gz JDYSLHHORVDWQB-BBRMVZONSA-N 1 3 368.319 2.515 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422902611 513971955 /nfs/dbraw/zinc/97/19/55/513971955.db2.gz NEIRFBSYFUZDFX-MSYCTHLASA-N 1 3 367.537 2.955 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422902611 513971964 /nfs/dbraw/zinc/97/19/64/513971964.db2.gz NEIRFBSYFUZDFX-MSYCTHLASA-N 1 3 367.537 2.955 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccccc1 ZINC000416812962 513978477 /nfs/dbraw/zinc/97/84/77/513978477.db2.gz SXDLUGNUJVLTKR-RTBURBONSA-N 1 3 358.530 2.709 20 0 FFADHO COc1cc(OC)cc(OCCC[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422930249 513979638 /nfs/dbraw/zinc/97/96/38/513979638.db2.gz SOXIPTJOHZYVJV-AWEZNQCLSA-N 1 3 359.470 2.986 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422948476 513986767 /nfs/dbraw/zinc/98/67/67/513986767.db2.gz RLJZHPYPXCIRLW-KEYYUXOJSA-N 1 3 352.320 2.863 20 0 FFADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416839229 513994033 /nfs/dbraw/zinc/99/40/33/513994033.db2.gz JVDLTCUJIWPJHP-HZPDHXFCSA-N 1 3 352.548 2.676 20 0 FFADHO CC1(C)COC[C@@H]1NCc1cc(C[NH2+][C@H]2COCC2(C)C)ccc1F ZINC000451813648 513997064 /nfs/dbraw/zinc/99/70/64/513997064.db2.gz RNTGVDVWKVXHSF-ROUUACIJSA-N 1 3 350.478 2.855 20 0 FFADHO O[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)C1 ZINC000422977365 513997902 /nfs/dbraw/zinc/99/79/02/513997902.db2.gz JWODZWIIFCXDEC-CBPXPLCBSA-N 1 3 357.542 2.524 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000416844440 513998471 /nfs/dbraw/zinc/99/84/71/513998471.db2.gz PXOUGANSWPAOKM-QGZVFWFLSA-N 1 3 364.559 2.916 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000416844127 513998574 /nfs/dbraw/zinc/99/85/74/513998574.db2.gz PNIAQVKCPCCJJZ-UXHICEINSA-N 1 3 354.498 2.851 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCCCc3ccccc32)(N2CCOCC2)CC1 ZINC000414181602 514000559 /nfs/dbraw/zinc/00/05/59/514000559.db2.gz CDTCVKONQIPVBV-NRFANRHFSA-N 1 3 357.542 2.840 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416849199 514000981 /nfs/dbraw/zinc/00/09/81/514000981.db2.gz XJLCAHWKKJLZSP-IXDOHACOSA-N 1 3 362.543 2.526 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422994953 514002867 /nfs/dbraw/zinc/00/28/67/514002867.db2.gz WPVRUAQMIDBGOB-UNEWFSDZSA-N 1 3 360.420 2.714 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422994953 514002871 /nfs/dbraw/zinc/00/28/71/514002871.db2.gz WPVRUAQMIDBGOB-UNEWFSDZSA-N 1 3 360.420 2.714 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416855377 514006745 /nfs/dbraw/zinc/00/67/45/514006745.db2.gz PYNQHBVYSDADLE-YLJYHZDGSA-N 1 3 374.529 2.521 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CN1Cc1ccccc1 ZINC000423011541 514007912 /nfs/dbraw/zinc/00/79/12/514007912.db2.gz JCYORIRYFFVDQU-MXEMCNAFSA-N 1 3 355.526 2.936 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416910909 514041767 /nfs/dbraw/zinc/04/17/67/514041767.db2.gz ZYMJJNUWLMFSPT-HXUWFJFHSA-N 1 3 356.514 2.708 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423106420 514044795 /nfs/dbraw/zinc/04/47/95/514044795.db2.gz CRJQVYQXHWVNIA-XLIONFOSSA-N 1 3 366.509 2.733 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2c(F)cccc2SC)CC[NH2+]CC1 ZINC000423111541 514046026 /nfs/dbraw/zinc/04/60/26/514046026.db2.gz WFVMXASZLLEHOL-CYBMUJFWSA-N 1 3 354.491 2.959 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000423144291 514057658 /nfs/dbraw/zinc/05/76/58/514057658.db2.gz YOZJJZZRUYIRIO-BLIXFSHQSA-N 1 3 364.530 2.898 20 0 FFADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414346384 514059211 /nfs/dbraw/zinc/05/92/11/514059211.db2.gz UVUIBSFKLSELIL-INIZCTEOSA-N 1 3 355.482 2.698 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN[C@H](C)[C@@H]3C)cc2)C1 ZINC000416969517 514075490 /nfs/dbraw/zinc/07/54/90/514075490.db2.gz KRSPWRHYFUTVBN-KURKYZTESA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN[C@H](C)[C@@H]3C)cc2)C1 ZINC000416969517 514075495 /nfs/dbraw/zinc/07/54/95/514075495.db2.gz KRSPWRHYFUTVBN-KURKYZTESA-N 1 3 358.530 2.810 20 0 FFADHO FC(F)Oc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423202916 514078885 /nfs/dbraw/zinc/07/88/85/514078885.db2.gz LMENNHFVYUXFKE-IBGZPJMESA-N 1 3 361.436 2.872 20 0 FFADHO COc1ccc([C@@H](C[NH3+])CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000420309859 514083450 /nfs/dbraw/zinc/08/34/50/514083450.db2.gz UFCQSDMKNOVOPF-RXVVDRJESA-N 1 3 362.514 2.788 20 0 FFADHO COc1ccc([C@@H](CN)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000420309859 514083457 /nfs/dbraw/zinc/08/34/57/514083457.db2.gz UFCQSDMKNOVOPF-RXVVDRJESA-N 1 3 362.514 2.788 20 0 FFADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(F)c(Cl)c1 ZINC000420312179 514085573 /nfs/dbraw/zinc/08/55/73/514085573.db2.gz RSHDJUPKWMBMRR-MRXNPFEDSA-N 1 3 351.853 2.660 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[C@H](C)CN1 ZINC000416977982 514085967 /nfs/dbraw/zinc/08/59/67/514085967.db2.gz QNDXEDJJKKKKKM-FGTMMUONSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@H](C)CN1 ZINC000416977982 514085972 /nfs/dbraw/zinc/08/59/72/514085972.db2.gz QNDXEDJJKKKKKM-FGTMMUONSA-N 1 3 358.530 2.953 20 0 FFADHO O=C(NC[C@@H]1CCCN([C@H]2CCc3c2cccc3Cl)C1)[C@H]1CCC[NH2+]1 ZINC000420318375 514091269 /nfs/dbraw/zinc/09/12/69/514091269.db2.gz NZFAEEUYSQERHZ-KYNGSXCRSA-N 1 3 361.917 2.908 20 0 FFADHO C[C@H](C(=O)N1CCSc2ccccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331642 514098496 /nfs/dbraw/zinc/09/84/96/514098496.db2.gz RBTYSQPEMPGMEE-ZACQAIPSSA-N 1 3 359.539 2.835 20 0 FFADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345999 514104287 /nfs/dbraw/zinc/10/42/87/514104287.db2.gz WBZJUJWBNQUCHW-SCTDSRPQSA-N 1 3 359.514 2.584 20 0 FFADHO CC[C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000417005893 514111924 /nfs/dbraw/zinc/11/19/24/514111924.db2.gz DYKSJNXWZGSCJB-VQTJNVASSA-N 1 3 360.546 2.838 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccsc1 ZINC000417012001 514116950 /nfs/dbraw/zinc/11/69/50/514116950.db2.gz UVIWJQBSTBZCGN-BHYGNILZSA-N 1 3 350.532 2.524 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417013408 514118658 /nfs/dbraw/zinc/11/86/58/514118658.db2.gz CCTNNZQEJNLCRF-UHFFFAOYSA-N 1 3 364.493 2.537 20 0 FFADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420387365 514121721 /nfs/dbraw/zinc/12/17/21/514121721.db2.gz VTNDLGLRSAFRIM-WFASDCNBSA-N 1 3 351.401 2.736 20 0 FFADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420387365 514121726 /nfs/dbraw/zinc/12/17/26/514121726.db2.gz VTNDLGLRSAFRIM-WFASDCNBSA-N 1 3 351.401 2.736 20 0 FFADHO CC(C)[C@@H](COCc1ccccc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389466 514124882 /nfs/dbraw/zinc/12/48/82/514124882.db2.gz NMGJNOYXORWBGI-QZTJIDSGSA-N 1 3 373.463 2.654 20 0 FFADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000420405388 514135109 /nfs/dbraw/zinc/13/51/09/514135109.db2.gz MSRPTLBXNAPOPP-CHWSQXEVSA-N 1 3 354.292 2.694 20 0 FFADHO CN1CCO[C@@H]([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423448775 514143567 /nfs/dbraw/zinc/14/35/67/514143567.db2.gz VPFPCMHUSALAMO-MTQWCTHYSA-N 1 3 363.933 2.689 20 0 FFADHO Brc1ccccc1C[C@@H]([NH2+]C[C@H]1CNCCCO1)C1CC1 ZINC000423492476 514151591 /nfs/dbraw/zinc/15/15/91/514151591.db2.gz NFMFWMMIKURMEE-NVXWUHKLSA-N 1 3 353.304 2.738 20 0 FFADHO Brc1ccccc1C[C@@H](NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492476 514151597 /nfs/dbraw/zinc/15/15/97/514151597.db2.gz NFMFWMMIKURMEE-NVXWUHKLSA-N 1 3 353.304 2.738 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CN1Cc1ccccc1 ZINC000449366951 514183267 /nfs/dbraw/zinc/18/32/67/514183267.db2.gz TWKWRQFMAKIEPP-JMUQELJHSA-N 1 3 363.505 2.697 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000449398725 514197729 /nfs/dbraw/zinc/19/77/29/514197729.db2.gz WDJVVYNUFUYBTD-SIKLNZKXSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCCCN2CCO)CC1 ZINC000449398725 514197732 /nfs/dbraw/zinc/19/77/32/514197732.db2.gz WDJVVYNUFUYBTD-SIKLNZKXSA-N 1 3 359.558 2.518 20 0 FFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000423778634 514225950 /nfs/dbraw/zinc/22/59/50/514225950.db2.gz HMGKFKZZIXBYCZ-QUCCMNQESA-N 1 3 354.498 2.546 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000417203722 514228996 /nfs/dbraw/zinc/22/89/96/514228996.db2.gz YZWLTNXSEKQAIF-OXJNMPFZSA-N 1 3 354.498 2.678 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417218604 514239676 /nfs/dbraw/zinc/23/96/76/514239676.db2.gz HFJNASACIGUJMZ-SPMPPSESSA-N 1 3 356.514 2.746 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000423877983 514274322 /nfs/dbraw/zinc/27/43/22/514274322.db2.gz DLHFAWZBLOOOGZ-PXNSSMCTSA-N 1 3 359.514 2.728 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000414776051 514287181 /nfs/dbraw/zinc/28/71/81/514287181.db2.gz CXSMOTCJJGYOHW-QUCCMNQESA-N 1 3 354.454 2.597 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)N(C)C)cc1 ZINC000417317165 514292162 /nfs/dbraw/zinc/29/21/62/514292162.db2.gz VXBORGITKJNPOJ-VQTJNVASSA-N 1 3 358.530 2.629 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414792273 514296897 /nfs/dbraw/zinc/29/68/97/514296897.db2.gz CBBXOVMAWIVREP-IDHHARJASA-N 1 3 372.513 2.859 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414792273 514296904 /nfs/dbraw/zinc/29/69/04/514296904.db2.gz CBBXOVMAWIVREP-IDHHARJASA-N 1 3 372.513 2.859 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417359733 514310581 /nfs/dbraw/zinc/31/05/81/514310581.db2.gz JFQYXECOBPZUCR-ZWKOTPCHSA-N 1 3 358.530 2.954 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414841603 514319778 /nfs/dbraw/zinc/31/97/78/514319778.db2.gz NOCRCTCMXIALIP-KBXCAEBGSA-N 1 3 361.486 2.688 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423984818 514323148 /nfs/dbraw/zinc/32/31/48/514323148.db2.gz WOQJXHWMSBDPPQ-SFTDATJTSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420843356 514331840 /nfs/dbraw/zinc/33/18/40/514331840.db2.gz WOGACBMDIKCBKH-WQUXRXDGSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000420924937 514379790 /nfs/dbraw/zinc/37/97/90/514379790.db2.gz YCJQNWNRSALGQZ-XLIONFOSSA-N 1 3 358.530 2.948 20 0 FFADHO c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942868 514393401 /nfs/dbraw/zinc/39/34/01/514393401.db2.gz VVRWSNXEMHTUMZ-FYYLOGMGSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942868 514393403 /nfs/dbraw/zinc/39/34/03/514393403.db2.gz VVRWSNXEMHTUMZ-FYYLOGMGSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942868 514393407 /nfs/dbraw/zinc/39/34/07/514393407.db2.gz VVRWSNXEMHTUMZ-FYYLOGMGSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942868 514393409 /nfs/dbraw/zinc/39/34/09/514393409.db2.gz VVRWSNXEMHTUMZ-FYYLOGMGSA-N 1 3 369.553 2.968 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415003441 514397582 /nfs/dbraw/zinc/39/75/82/514397582.db2.gz NAGBRCZXVUNMIJ-NVXWUHKLSA-N 1 3 356.470 2.656 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N(C)Cc1ccccc1 ZINC000417575335 514415382 /nfs/dbraw/zinc/41/53/82/514415382.db2.gz FOTLIPWCICAVFO-XLIONFOSSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)N(C)Cc1ccccc1 ZINC000417575416 514415723 /nfs/dbraw/zinc/41/57/23/514415723.db2.gz FWQWFTQCMAOXIK-INIZCTEOSA-N 1 3 352.482 2.610 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000420978153 514416042 /nfs/dbraw/zinc/41/60/42/514416042.db2.gz JABWHASQZZZPNQ-UHFFFAOYSA-N 1 3 373.541 2.760 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCC(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000420978153 514416052 /nfs/dbraw/zinc/41/60/52/514416052.db2.gz JABWHASQZZZPNQ-UHFFFAOYSA-N 1 3 373.541 2.760 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417592618 514428003 /nfs/dbraw/zinc/42/80/03/514428003.db2.gz YPGVOFHEIBUGGQ-KRWDZBQOSA-N 1 3 368.566 2.617 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415071325 514428634 /nfs/dbraw/zinc/42/86/34/514428634.db2.gz SNHFHJORHYNZGU-GOSISDBHSA-N 1 3 364.559 2.773 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000415082384 514435681 /nfs/dbraw/zinc/43/56/81/514435681.db2.gz LWVUEEDSCOHCPZ-KDXIVRHGSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1NCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@H]1C ZINC000417621732 514439840 /nfs/dbraw/zinc/43/98/40/514439840.db2.gz LCFRGCKVPGWNAN-ROUUACIJSA-N 1 3 358.530 2.954 20 0 FFADHO Cc1ccc(S(=O)(=O)CCCN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424296031 514448993 /nfs/dbraw/zinc/44/89/93/514448993.db2.gz RWULTXIFJASNML-QGZVFWFLSA-N 1 3 350.528 2.623 20 0 FFADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(CN4CCC(O)CC4)cc3)C[C@H]2C1 ZINC000424293861 514449141 /nfs/dbraw/zinc/44/91/41/514449141.db2.gz CYACLSQVHUKWOX-QJWCVOLQSA-N 1 3 358.526 2.937 20 0 FFADHO CC(C)OCc1ccccc1CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302530 514451707 /nfs/dbraw/zinc/45/17/07/514451707.db2.gz ZUJMLICHQJXVSU-SFHVURJKSA-N 1 3 373.541 2.692 20 0 FFADHO CC(C)Cn1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000415132833 514460515 /nfs/dbraw/zinc/46/05/15/514460515.db2.gz MBUCFEBXAJEHBD-UHFFFAOYSA-N 1 3 355.530 2.622 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000421060428 514463737 /nfs/dbraw/zinc/46/37/37/514463737.db2.gz IUWXIENBFFENJE-KRWDZBQOSA-N 1 3 362.518 2.965 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000439227538 514510420 /nfs/dbraw/zinc/51/04/20/514510420.db2.gz UGGQRXQPWDHBAD-HLNWXESRSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433564054 514513585 /nfs/dbraw/zinc/51/35/85/514513585.db2.gz HRWNGPLKSUBDAR-LMMKCTJWSA-N 1 3 350.551 2.671 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC000475023592 514526841 /nfs/dbraw/zinc/52/68/41/514526841.db2.gz PFYUOMAZQBGXHQ-UNMCSNQZSA-N 1 3 365.521 2.970 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466010533 514539145 /nfs/dbraw/zinc/53/91/45/514539145.db2.gz ATHMEUJABFMWRN-UWVAXJGDSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466010533 514539146 /nfs/dbraw/zinc/53/91/46/514539146.db2.gz ATHMEUJABFMWRN-UWVAXJGDSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000466036728 514545059 /nfs/dbraw/zinc/54/50/59/514545059.db2.gz PIAGBAATZUDDJA-GOEBONIOSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000466036728 514545061 /nfs/dbraw/zinc/54/50/61/514545061.db2.gz PIAGBAATZUDDJA-GOEBONIOSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CN1Cc1ccccc1 ZINC000466152457 514567534 /nfs/dbraw/zinc/56/75/34/514567534.db2.gz DWEZKNYIAPNRNQ-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475137837 514569203 /nfs/dbraw/zinc/56/92/03/514569203.db2.gz LAWPURWADCMDSX-PMACEKPBSA-N 1 3 360.546 2.879 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000466220731 514579608 /nfs/dbraw/zinc/57/96/08/514579608.db2.gz FCRUBRDODNEBND-JXFKEZNVSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000479541684 514622290 /nfs/dbraw/zinc/62/22/90/514622290.db2.gz LFYRURWWBIJUIX-IEBWSBKVSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000479541684 514622293 /nfs/dbraw/zinc/62/22/93/514622293.db2.gz LFYRURWWBIJUIX-IEBWSBKVSA-N 1 3 362.562 2.909 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000466427125 514643992 /nfs/dbraw/zinc/64/39/92/514643992.db2.gz VLWFVFPSZVWHTF-OXQOHEQNSA-N 1 3 358.530 2.810 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466432456 514645885 /nfs/dbraw/zinc/64/58/85/514645885.db2.gz XGXCUGPNVYMTAV-OXQOHEQNSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(OCCN(C)C)cc1 ZINC000484467579 514660984 /nfs/dbraw/zinc/66/09/84/514660984.db2.gz ARLYQEIVKHMYJX-LPHOPBHVSA-N 1 3 351.560 2.715 20 0 FFADHO COc1cc(F)c([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1OC ZINC000484489969 514666887 /nfs/dbraw/zinc/66/68/87/514666887.db2.gz PTCJXGOINYMFAZ-AWEZNQCLSA-N 1 3 353.482 2.520 20 0 FFADHO Cc1cnc(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)cn1 ZINC000453593729 514711574 /nfs/dbraw/zinc/71/15/74/514711574.db2.gz HLDYFBBCNVOAPW-UHFFFAOYSA-N 1 3 353.514 2.648 20 0 FFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000479818263 514734260 /nfs/dbraw/zinc/73/42/60/514734260.db2.gz QRWGAJFKGJRYEC-GHTZIAJQSA-N 1 3 370.541 2.703 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)[C@H]2C1 ZINC000498105470 514762841 /nfs/dbraw/zinc/76/28/41/514762841.db2.gz BGFJGHDJCBAVGG-RXVVDRJESA-N 1 3 370.541 2.908 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)[NH+]1CCCC1 ZINC000498126067 514772314 /nfs/dbraw/zinc/77/23/14/514772314.db2.gz MTKVKKIXUUVUNH-CEXWTWQISA-N 1 3 350.551 2.623 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccsc1 ZINC000498151326 514780814 /nfs/dbraw/zinc/78/08/14/514780814.db2.gz OPROMFOGXHPWHQ-NXHRZFHOSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccsc1 ZINC000498151326 514780822 /nfs/dbraw/zinc/78/08/22/514780822.db2.gz OPROMFOGXHPWHQ-NXHRZFHOSA-N 1 3 364.559 2.867 20 0 FFADHO N[C@@H](CC(F)F)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000498210736 514806856 /nfs/dbraw/zinc/80/68/56/514806856.db2.gz AHTXEBVSMBSUSM-SFHVURJKSA-N 1 3 367.484 2.820 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000462016100 514832142 /nfs/dbraw/zinc/83/21/42/514832142.db2.gz RYOSYJKRSSDAMK-YOEHRIQHSA-N 1 3 354.926 2.971 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000462016100 514832149 /nfs/dbraw/zinc/83/21/49/514832149.db2.gz RYOSYJKRSSDAMK-YOEHRIQHSA-N 1 3 354.926 2.971 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000466935257 514834694 /nfs/dbraw/zinc/83/46/94/514834694.db2.gz UBBPFZXDJDXQSC-YLJYHZDGSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000466935257 514834699 /nfs/dbraw/zinc/83/46/99/514834699.db2.gz UBBPFZXDJDXQSC-YLJYHZDGSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000484903322 514838044 /nfs/dbraw/zinc/83/80/44/514838044.db2.gz FCPCHBGENVPNST-GHMZBOCLSA-N 1 3 358.255 2.586 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000484972461 514859263 /nfs/dbraw/zinc/85/92/63/514859263.db2.gz OMYIOPBQBYPPJQ-FXAWDEMLSA-N 1 3 351.494 2.951 20 0 FFADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000489538921 514886760 /nfs/dbraw/zinc/88/67/60/514886760.db2.gz DGMFFTKNHDVUHH-SFHVURJKSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000458544169 514887399 /nfs/dbraw/zinc/88/73/99/514887399.db2.gz FLJZFUDBBUVYEV-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000458544169 514887410 /nfs/dbraw/zinc/88/74/10/514887410.db2.gz FLJZFUDBBUVYEV-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H](N2CC=CC2)C1)[NH+](C)C ZINC000508878189 514934385 /nfs/dbraw/zinc/93/43/85/514934385.db2.gz GUGJPXHVJNQJIF-HBFSDRIKSA-N 1 3 356.514 2.642 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471583662 514940071 /nfs/dbraw/zinc/94/00/71/514940071.db2.gz AYXKKPGBWQDTPH-SESVDKBCSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471583662 514940080 /nfs/dbraw/zinc/94/00/80/514940080.db2.gz AYXKKPGBWQDTPH-SESVDKBCSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000485215185 514959504 /nfs/dbraw/zinc/95/95/04/514959504.db2.gz WXTJSEXHZKIFCU-AWEZNQCLSA-N 1 3 352.438 2.732 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)N(C)C)cc1 ZINC000458643408 514983472 /nfs/dbraw/zinc/98/34/72/514983472.db2.gz JPYADNNQYAKIKK-QGTPRVQTSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)N(C)C)cc1 ZINC000458643408 514983484 /nfs/dbraw/zinc/98/34/84/514983484.db2.gz JPYADNNQYAKIKK-QGTPRVQTSA-N 1 3 364.559 2.793 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000458653447 514990687 /nfs/dbraw/zinc/99/06/87/514990687.db2.gz CRAOTDGLVCKTPC-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000458653447 514990699 /nfs/dbraw/zinc/99/06/99/514990699.db2.gz CRAOTDGLVCKTPC-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000489863842 515003593 /nfs/dbraw/zinc/00/35/93/515003593.db2.gz SWCISEUNMUAFEL-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO FC(F)(F)c1cccc(OCCCCN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489929998 515035546 /nfs/dbraw/zinc/03/55/46/515035546.db2.gz DEHWTPWOXONGRQ-KRWDZBQOSA-N 1 3 371.447 2.844 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000503527896 515070609 /nfs/dbraw/zinc/07/06/09/515070609.db2.gz PKUJKNUQMPIJOQ-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccco1 ZINC000458773776 515080968 /nfs/dbraw/zinc/08/09/68/515080968.db2.gz PVAYETGOPOFCBE-ZWOKBUDYSA-N 1 3 362.518 2.836 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccco1 ZINC000458773776 515080979 /nfs/dbraw/zinc/08/09/79/515080979.db2.gz PVAYETGOPOFCBE-ZWOKBUDYSA-N 1 3 362.518 2.836 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000458776368 515085239 /nfs/dbraw/zinc/08/52/39/515085239.db2.gz RSTYYWHBELGUSC-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000458776368 515085251 /nfs/dbraw/zinc/08/52/51/515085251.db2.gz RSTYYWHBELGUSC-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000467780180 515114171 /nfs/dbraw/zinc/11/41/71/515114171.db2.gz MBDNWTDAZGINGK-GOSISDBHSA-N 1 3 374.529 2.891 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000467780180 515114181 /nfs/dbraw/zinc/11/41/81/515114181.db2.gz MBDNWTDAZGINGK-GOSISDBHSA-N 1 3 374.529 2.891 20 0 FFADHO CCN1CC[C@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000509329267 515127390 /nfs/dbraw/zinc/12/73/90/515127390.db2.gz XXAYPZHIOLXVPY-IRLDBZIGSA-N 1 3 358.574 2.861 20 0 FFADHO CCN1CC[C@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000509329267 515127399 /nfs/dbraw/zinc/12/73/99/515127399.db2.gz XXAYPZHIOLXVPY-IRLDBZIGSA-N 1 3 358.574 2.861 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000476739013 515177700 /nfs/dbraw/zinc/17/77/00/515177700.db2.gz MGWDNIJFDCULIL-JZXOWHBKSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000476739013 515177710 /nfs/dbraw/zinc/17/77/10/515177710.db2.gz MGWDNIJFDCULIL-JZXOWHBKSA-N 1 3 350.551 2.621 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000472281237 515200335 /nfs/dbraw/zinc/20/03/35/515200335.db2.gz ZCVRGXCTIDUHHP-SFHVURJKSA-N 1 3 369.456 2.726 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000509589195 515248101 /nfs/dbraw/zinc/24/81/01/515248101.db2.gz YYCGSUHKARZNKX-BBWFWOEESA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000509589195 515248107 /nfs/dbraw/zinc/24/81/07/515248107.db2.gz YYCGSUHKARZNKX-BBWFWOEESA-N 1 3 350.507 2.692 20 0 FFADHO CN(CCCN(C)C(=O)NCCC[NH+]1CCCCC1)Cc1ccco1 ZINC000476984669 515276837 /nfs/dbraw/zinc/27/68/37/515276837.db2.gz QIMQTKCFMFNEQA-UHFFFAOYSA-N 1 3 350.507 2.619 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000454203237 515305170 /nfs/dbraw/zinc/30/51/70/515305170.db2.gz CTVBDYDCDXDOEH-GOSISDBHSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000468336966 515315500 /nfs/dbraw/zinc/31/55/00/515315500.db2.gz HYYVDXNLQMQNNI-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000486060614 515318968 /nfs/dbraw/zinc/31/89/68/515318968.db2.gz HHUKSRHWACKJPG-RHSMWYFYSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000486060614 515318977 /nfs/dbraw/zinc/31/89/77/515318977.db2.gz HHUKSRHWACKJPG-RHSMWYFYSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000477183321 515360198 /nfs/dbraw/zinc/36/01/98/515360198.db2.gz UIRXKJZYFQDHMH-UWJYYQICSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000477183321 515360202 /nfs/dbraw/zinc/36/02/02/515360202.db2.gz UIRXKJZYFQDHMH-UWJYYQICSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000454314766 515391641 /nfs/dbraw/zinc/39/16/41/515391641.db2.gz NMKKITZHSJNYLY-DZFGPLHGSA-N 1 3 370.541 2.907 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000454314766 515391654 /nfs/dbraw/zinc/39/16/54/515391654.db2.gz NMKKITZHSJNYLY-DZFGPLHGSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459257586 515427734 /nfs/dbraw/zinc/42/77/34/515427734.db2.gz JMBGZTGHWBPMTO-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459257586 515427738 /nfs/dbraw/zinc/42/77/38/515427738.db2.gz JMBGZTGHWBPMTO-IBGZPJMESA-N 1 3 352.567 2.872 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000510292069 515495495 /nfs/dbraw/zinc/49/54/95/515495495.db2.gz ZGAQKLKJGDQYMH-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000510292069 515495504 /nfs/dbraw/zinc/49/55/04/515495504.db2.gz ZGAQKLKJGDQYMH-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000510336532 515507324 /nfs/dbraw/zinc/50/73/24/515507324.db2.gz NDXJSHHZKIGROS-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000510336532 515507333 /nfs/dbraw/zinc/50/73/33/515507333.db2.gz NDXJSHHZKIGROS-PKOBYXMFSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000454477432 515517400 /nfs/dbraw/zinc/51/74/00/515517400.db2.gz IEYQLWSQYHIUEA-UHFFFAOYSA-N 1 3 350.507 2.869 20 0 FFADHO c1ccc(-c2ccc(NCC[NH2+]C3CCN(c4ccncc4)CC3)nn2)cc1 ZINC000459444779 515555598 /nfs/dbraw/zinc/55/55/98/515555598.db2.gz ARZBBNRAPOQBNR-UHFFFAOYSA-N 1 3 374.492 3.209 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000510511521 515561509 /nfs/dbraw/zinc/56/15/09/515561509.db2.gz LRZXJAIBLHTEQG-QGZVFWFLSA-N 1 3 358.530 2.978 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000468902494 515574198 /nfs/dbraw/zinc/57/41/98/515574198.db2.gz JBDJBNXINFGJBI-UYAOXDASSA-N 1 3 373.541 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000468902494 515574207 /nfs/dbraw/zinc/57/42/07/515574207.db2.gz JBDJBNXINFGJBI-UYAOXDASSA-N 1 3 373.541 2.600 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1=CC[N@H+](C)CC1 ZINC000510548137 515581192 /nfs/dbraw/zinc/58/11/92/515581192.db2.gz PZOXBMMZLXWZIF-WBVHZDCISA-N 1 3 362.543 2.835 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000510548137 515581200 /nfs/dbraw/zinc/58/12/00/515581200.db2.gz PZOXBMMZLXWZIF-WBVHZDCISA-N 1 3 362.543 2.835 20 0 FFADHO Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1S(C)(=O)=O ZINC000459504278 515602707 /nfs/dbraw/zinc/60/27/07/515602707.db2.gz IEQQYWLCZHYAGZ-UHFFFAOYSA-N 1 3 359.495 2.552 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000454605382 515603900 /nfs/dbraw/zinc/60/39/00/515603900.db2.gz MTNITRUWHWLWEK-IBGZPJMESA-N 1 3 370.541 2.825 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000454605382 515603908 /nfs/dbraw/zinc/60/39/08/515603908.db2.gz MTNITRUWHWLWEK-IBGZPJMESA-N 1 3 370.541 2.825 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)[C@@H](C)C1 ZINC000477850746 515614686 /nfs/dbraw/zinc/61/46/86/515614686.db2.gz CORRFUAERNZMDL-BJLQDIEVSA-N 1 3 359.514 2.519 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000505689574 515633493 /nfs/dbraw/zinc/63/34/93/515633493.db2.gz XVEJTIVTWPYRKF-DENIHFKCSA-N 1 3 373.516 2.982 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000505689574 515633502 /nfs/dbraw/zinc/63/35/02/515633502.db2.gz XVEJTIVTWPYRKF-DENIHFKCSA-N 1 3 373.516 2.982 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)[N@H+](C)C1CC1 ZINC000454643761 515634100 /nfs/dbraw/zinc/63/41/00/515634100.db2.gz HBCGKSOUDBZYGB-ZWKOTPCHSA-N 1 3 358.530 2.633 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000505691730 515634061 /nfs/dbraw/zinc/63/40/61/515634061.db2.gz KAWQMANFYCOIFF-HSALFYBXSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000505691730 515634071 /nfs/dbraw/zinc/63/40/71/515634071.db2.gz KAWQMANFYCOIFF-HSALFYBXSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000454643761 515634110 /nfs/dbraw/zinc/63/41/10/515634110.db2.gz HBCGKSOUDBZYGB-ZWKOTPCHSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000493809181 515666737 /nfs/dbraw/zinc/66/67/37/515666737.db2.gz LDYHUTNWQXWVCL-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCN1Cc1ccccc1 ZINC000493809181 515666745 /nfs/dbraw/zinc/66/67/45/515666745.db2.gz LDYHUTNWQXWVCL-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO CCOc1ccc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000505807861 515681131 /nfs/dbraw/zinc/68/11/31/515681131.db2.gz UDWXFFVSHSJBKZ-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CCOc1ccc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000505807861 515681133 /nfs/dbraw/zinc/68/11/33/515681133.db2.gz UDWXFFVSHSJBKZ-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CN1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000454714236 515686892 /nfs/dbraw/zinc/68/68/92/515686892.db2.gz CTRFLFWGGGQCCB-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO CCOC(=O)C(C)(C)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000510936753 515720363 /nfs/dbraw/zinc/72/03/63/515720363.db2.gz NGKQKFZJMVTLOW-UHFFFAOYSA-N 1 3 367.578 2.704 20 0 FFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(I)cc1 ZINC000511027834 515749757 /nfs/dbraw/zinc/74/97/57/515749757.db2.gz JAMWFVJGNSHTPF-SWLSCSKDSA-N 1 3 374.266 2.600 20 0 FFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(I)cc1 ZINC000511027834 515749762 /nfs/dbraw/zinc/74/97/62/515749762.db2.gz JAMWFVJGNSHTPF-SWLSCSKDSA-N 1 3 374.266 2.600 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000482720803 515781510 /nfs/dbraw/zinc/78/15/10/515781510.db2.gz GLOXSVCUZOBRIX-PKOBYXMFSA-N 1 3 364.534 2.573 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000511228397 515836046 /nfs/dbraw/zinc/83/60/46/515836046.db2.gz NCJPZJDIAXGOEC-QZTJIDSGSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000511228397 515836051 /nfs/dbraw/zinc/83/60/51/515836051.db2.gz NCJPZJDIAXGOEC-QZTJIDSGSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482895598 515838604 /nfs/dbraw/zinc/83/86/04/515838604.db2.gz YMBSEZHBGZSLHC-YCRPNKLZSA-N 1 3 361.505 2.981 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000469567869 515870909 /nfs/dbraw/zinc/87/09/09/515870909.db2.gz YJHLCXSIJHNFSI-SXLOBPIMSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000469567869 515870915 /nfs/dbraw/zinc/87/09/15/515870915.db2.gz YJHLCXSIJHNFSI-SXLOBPIMSA-N 1 3 360.546 2.925 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000487551691 515903102 /nfs/dbraw/zinc/90/31/02/515903102.db2.gz VSMUUCHEILYFMD-NQIIRXRSSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000487551691 515903108 /nfs/dbraw/zinc/90/31/08/515903108.db2.gz VSMUUCHEILYFMD-NQIIRXRSSA-N 1 3 372.557 2.675 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000457480088 515903672 /nfs/dbraw/zinc/90/36/72/515903672.db2.gz NCHYLURCCUXEQH-UYAOXDASSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000457480088 515903682 /nfs/dbraw/zinc/90/36/82/515903682.db2.gz NCHYLURCCUXEQH-UYAOXDASSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000483081807 515916922 /nfs/dbraw/zinc/91/69/22/515916922.db2.gz YSEAECPCJGQODY-SFHVURJKSA-N 1 3 372.557 2.649 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474305760 515982869 /nfs/dbraw/zinc/98/28/69/515982869.db2.gz WASOZKBZHGUJID-JOCHJYFZSA-N 1 3 363.505 2.769 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C1 ZINC000487815212 515989104 /nfs/dbraw/zinc/98/91/04/515989104.db2.gz BUROFZLHDZRYHA-LJDSDSDDSA-N 1 3 364.578 2.726 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C1 ZINC000487815212 515989113 /nfs/dbraw/zinc/98/91/13/515989113.db2.gz BUROFZLHDZRYHA-LJDSDSDDSA-N 1 3 364.578 2.726 20 0 FFADHO CCN1CCC[C@H](NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460120291 516032028 /nfs/dbraw/zinc/03/20/28/516032028.db2.gz FPILNYOZDIZRMK-NJYVYQBISA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CCC[C@H](NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000460120291 516032036 /nfs/dbraw/zinc/03/20/36/516032036.db2.gz FPILNYOZDIZRMK-NJYVYQBISA-N 1 3 370.541 2.634 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000457645131 516034584 /nfs/dbraw/zinc/03/45/84/516034584.db2.gz XUZAEBNHTSKQHK-LJQANCHMSA-N 1 3 372.557 2.991 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000457645131 516034593 /nfs/dbraw/zinc/03/45/93/516034593.db2.gz XUZAEBNHTSKQHK-LJQANCHMSA-N 1 3 372.557 2.991 20 0 FFADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000495072706 516055281 /nfs/dbraw/zinc/05/52/81/516055281.db2.gz FWAVAPZZUCPTGX-FQEVSTJZSA-N 1 3 373.541 2.705 20 0 FFADHO CS[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1N1CCCC1 ZINC000483389220 516058947 /nfs/dbraw/zinc/05/89/47/516058947.db2.gz FHVBUXLASQDGMP-SJORKVTESA-N 1 3 353.576 2.537 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H](C)CN(C)Cc1ccccc1)[NH+]1CCCC1 ZINC000460245160 516085274 /nfs/dbraw/zinc/08/52/74/516085274.db2.gz FGQWXCARJXCCAD-QUCCMNQESA-N 1 3 360.546 2.927 20 0 FFADHO CC(C)C[C@H](NC/C=C/c1ccc(F)c(F)c1)C(=O)NCC[NH+](C)C ZINC000512009232 516113873 /nfs/dbraw/zinc/11/38/73/516113873.db2.gz SKWQEKXKOSSUDI-QWNKOJSDSA-N 1 3 353.457 2.660 20 0 FFADHO CC(C)[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000465354378 516131386 /nfs/dbraw/zinc/13/13/86/516131386.db2.gz IPKRJSAGVNRBHH-FQEVSTJZSA-N 1 3 365.562 2.600 20 0 FFADHO COC(=O)[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1C ZINC000470156319 516149485 /nfs/dbraw/zinc/14/94/85/516149485.db2.gz MPKYPZQKXXMWIS-QFBILLFUSA-N 1 3 359.514 2.600 20 0 FFADHO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)[C@H]1C ZINC000470156319 516149494 /nfs/dbraw/zinc/14/94/94/516149494.db2.gz MPKYPZQKXXMWIS-QFBILLFUSA-N 1 3 359.514 2.600 20 0 FFADHO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)[C@H]1C ZINC000470156319 516149500 /nfs/dbraw/zinc/14/95/00/516149500.db2.gz MPKYPZQKXXMWIS-QFBILLFUSA-N 1 3 359.514 2.600 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N(C)CC2CCN(c3ccncc3)CC2)CC1 ZINC000501601169 516168365 /nfs/dbraw/zinc/16/83/65/516168365.db2.gz AXBSQHLPTPCMSZ-UHFFFAOYSA-N 1 3 358.530 2.877 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000465638555 516217862 /nfs/dbraw/zinc/21/78/62/516217862.db2.gz UCUJFBROIWPBSR-FQEVSTJZSA-N 1 3 360.546 2.882 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000465638555 516217872 /nfs/dbraw/zinc/21/78/72/516217872.db2.gz UCUJFBROIWPBSR-FQEVSTJZSA-N 1 3 360.546 2.882 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(CC3CCCC3)C2)[C@@H](C)C1 ZINC000483840350 516223933 /nfs/dbraw/zinc/22/39/33/516223933.db2.gz ONVOQCXCNRJDMA-JBACZVJFSA-N 1 3 351.579 2.978 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000501800799 516227713 /nfs/dbraw/zinc/22/77/13/516227713.db2.gz KBYHBUAMAPAOGJ-GOSISDBHSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457935789 516239860 /nfs/dbraw/zinc/23/98/60/516239860.db2.gz ODBWDUOVBAPMBH-YLJYHZDGSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457935789 516239870 /nfs/dbraw/zinc/23/98/70/516239870.db2.gz ODBWDUOVBAPMBH-YLJYHZDGSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[N@@H+]1C ZINC000465825247 516267137 /nfs/dbraw/zinc/26/71/37/516267137.db2.gz CUDYKNYNHVHYNE-IXDOHACOSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[N@H+]1C ZINC000465825247 516267144 /nfs/dbraw/zinc/26/71/44/516267144.db2.gz CUDYKNYNHVHYNE-IXDOHACOSA-N 1 3 364.559 2.742 20 0 FFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCC(C)CC1)CC2 ZINC000465823844 516268110 /nfs/dbraw/zinc/26/81/10/516268110.db2.gz YLDWDZXPXJNUIF-OTWHNJEPSA-N 1 3 350.551 2.764 20 0 FFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)N1CCC(C)CC1)CC2 ZINC000465823844 516268117 /nfs/dbraw/zinc/26/81/17/516268117.db2.gz YLDWDZXPXJNUIF-OTWHNJEPSA-N 1 3 350.551 2.764 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000484088744 516294239 /nfs/dbraw/zinc/29/42/39/516294239.db2.gz ZFFHEYKAWGXSTL-IBGZPJMESA-N 1 3 367.541 2.781 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000484088744 516294244 /nfs/dbraw/zinc/29/42/44/516294244.db2.gz ZFFHEYKAWGXSTL-IBGZPJMESA-N 1 3 367.541 2.781 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000461030860 516307741 /nfs/dbraw/zinc/30/77/41/516307741.db2.gz VOHXYFJFZDZVDK-SJLPKXTDSA-N 1 3 367.484 2.989 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000461030860 516307750 /nfs/dbraw/zinc/30/77/50/516307750.db2.gz VOHXYFJFZDZVDK-SJLPKXTDSA-N 1 3 367.484 2.989 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCS[C@@H](C)[C@H]3C)CC2)CC1 ZINC000557624562 516341862 /nfs/dbraw/zinc/34/18/62/516341862.db2.gz FHOIRCWCVZHJQV-CVEARBPZSA-N 1 3 353.576 2.535 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Br)cn2)C[C@@H](C)O1 ZINC000531199431 516344498 /nfs/dbraw/zinc/34/44/98/516344498.db2.gz KVEWEIOOUAYPLN-ZIAGYGMSSA-N 1 3 356.308 2.823 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CN2CCSC[C@H]2CCO)CC1 ZINC000539911889 516348583 /nfs/dbraw/zinc/34/85/83/516348583.db2.gz RMYIHBOCPMVKBY-LJQANCHMSA-N 1 3 363.571 2.518 20 0 FFADHO FC(F)OC[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512806155 516365707 /nfs/dbraw/zinc/36/57/07/516365707.db2.gz RICZQLDQQZOMOF-KOMGFDSOSA-N 1 3 354.388 2.665 20 0 FFADHO FC(F)OC[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512806155 516365715 /nfs/dbraw/zinc/36/57/15/516365715.db2.gz RICZQLDQQZOMOF-KOMGFDSOSA-N 1 3 354.388 2.665 20 0 FFADHO CC[N@H+](CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000517662460 516403151 /nfs/dbraw/zinc/40/31/51/516403151.db2.gz URJWOIVMDLEQJG-SFHVURJKSA-N 1 3 357.542 2.930 20 0 FFADHO CC[N@@H+](CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000517662460 516403159 /nfs/dbraw/zinc/40/31/59/516403159.db2.gz URJWOIVMDLEQJG-SFHVURJKSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000561145583 516406506 /nfs/dbraw/zinc/40/65/06/516406506.db2.gz WHEAKUZKRPXFIY-AEFFLSMTSA-N 1 3 358.530 2.511 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000561149341 516409047 /nfs/dbraw/zinc/40/90/47/516409047.db2.gz OXJYTZUWSALQAC-KRWDZBQOSA-N 1 3 358.530 2.941 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000517899927 516486904 /nfs/dbraw/zinc/48/69/04/516486904.db2.gz BMEHSLGNKNJFQA-UTKZUKDTSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N(C)Cc1ccccc1 ZINC000535937020 516563209 /nfs/dbraw/zinc/56/32/09/516563209.db2.gz NTJAKRPGPILGCV-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513352624 516582881 /nfs/dbraw/zinc/58/28/81/516582881.db2.gz CLNCJGWJZQGNOQ-KNQAVFIVSA-N 1 3 367.541 2.624 20 0 FFADHO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000551165740 516589002 /nfs/dbraw/zinc/58/90/02/516589002.db2.gz XQLWPTNSQDJYAN-ZLZJIPBDSA-N 1 3 356.576 2.832 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCN4CCC3CC4)cc2)C1 ZINC000551245254 516623490 /nfs/dbraw/zinc/62/34/90/516623490.db2.gz TXCTZPTUOQKLAQ-SFHVURJKSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCN4CCC3CC4)cc2)C1 ZINC000551245254 516623500 /nfs/dbraw/zinc/62/35/00/516623500.db2.gz TXCTZPTUOQKLAQ-SFHVURJKSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528718813 516642360 /nfs/dbraw/zinc/64/23/60/516642360.db2.gz ZGLJWPJGYQPFNO-BZUAXINKSA-N 1 3 360.502 2.657 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528718824 516642729 /nfs/dbraw/zinc/64/27/29/516642729.db2.gz ZGLJWPJGYQPFNO-XHSDSOJGSA-N 1 3 360.502 2.657 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528718824 516642737 /nfs/dbraw/zinc/64/27/37/516642737.db2.gz ZGLJWPJGYQPFNO-XHSDSOJGSA-N 1 3 360.502 2.657 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c2cccs2)CC1 ZINC000518497234 516681944 /nfs/dbraw/zinc/68/19/44/516681944.db2.gz DLPZUIPQOCYQLN-YESZJQIVSA-N 1 3 364.559 2.818 20 0 FFADHO C[C@H](CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[NH+]1CCCCC1 ZINC000544292652 516682925 /nfs/dbraw/zinc/68/29/25/516682925.db2.gz PGWKYQAXWUSZFM-GOSISDBHSA-N 1 3 372.557 2.649 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(-c2ccccc2)nc1 ZINC000558419228 516731663 /nfs/dbraw/zinc/73/16/63/516731663.db2.gz LHZGBSKEBQLAQW-NRFANRHFSA-N 1 3 367.541 2.992 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(-c2ccccc2)nc1 ZINC000558419228 516731672 /nfs/dbraw/zinc/73/16/72/516731672.db2.gz LHZGBSKEBQLAQW-NRFANRHFSA-N 1 3 367.541 2.992 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524474112 516732948 /nfs/dbraw/zinc/73/29/48/516732948.db2.gz FOTGTCFFPRSYIN-FQEVSTJZSA-N 1 3 358.530 2.826 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000551566311 516764119 /nfs/dbraw/zinc/76/41/19/516764119.db2.gz JQMHMEJMPHRBDO-QGLKVJOYSA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000551566311 516764126 /nfs/dbraw/zinc/76/41/26/516764126.db2.gz JQMHMEJMPHRBDO-QGLKVJOYSA-N 1 3 360.542 2.645 20 0 FFADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000551566311 516764131 /nfs/dbraw/zinc/76/41/31/516764131.db2.gz JQMHMEJMPHRBDO-QGLKVJOYSA-N 1 3 360.542 2.645 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc21 ZINC000555168855 516813694 /nfs/dbraw/zinc/81/36/94/516813694.db2.gz ZSXSKMSJFZULIT-SFTDATJTSA-N 1 3 373.541 2.785 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699204 516828103 /nfs/dbraw/zinc/82/81/03/516828103.db2.gz QZSAXZSPHDDIMO-GOTSBHOMSA-N 1 3 371.569 2.941 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551699204 516828110 /nfs/dbraw/zinc/82/81/10/516828110.db2.gz QZSAXZSPHDDIMO-GOTSBHOMSA-N 1 3 371.569 2.941 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000518967441 516835336 /nfs/dbraw/zinc/83/53/36/516835336.db2.gz OXCHZDSRWWEVTD-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000518967441 516835344 /nfs/dbraw/zinc/83/53/44/516835344.db2.gz OXCHZDSRWWEVTD-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[NH+]1CCCC1 ZINC000514032278 516838581 /nfs/dbraw/zinc/83/85/81/516838581.db2.gz DZICRUKLMQUCJO-HXUWFJFHSA-N 1 3 373.545 2.563 20 0 FFADHO COC(=O)CCCN1CCC(Nc2cc(C[NH+](C)C)ccc2OC)CC1 ZINC000555247085 516847424 /nfs/dbraw/zinc/84/74/24/516847424.db2.gz DFAYVDOWDAZHHB-UHFFFAOYSA-N 1 3 363.502 2.586 20 0 FFADHO C[NH+]1CCC(C)(CNCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000555577163 516987474 /nfs/dbraw/zinc/98/74/74/516987474.db2.gz ABYGALIVLRDBOQ-UHFFFAOYSA-N 1 3 351.922 2.998 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1(C)C ZINC000514671354 516994736 /nfs/dbraw/zinc/99/47/36/516994736.db2.gz GDBQLYRVKWSFBW-WIYYLYMNSA-N 1 3 365.562 2.634 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000558908387 516999348 /nfs/dbraw/zinc/99/93/48/516999348.db2.gz VYTVONALJRCPIQ-MRXNPFEDSA-N 1 3 352.910 2.726 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1c(Cl)cccc1Cl ZINC000525447035 517043323 /nfs/dbraw/zinc/04/33/23/517043323.db2.gz MJQGAQWCGDXQID-UHFFFAOYSA-N 1 3 361.317 2.628 20 0 FFADHO CC(C)[C@H]1CNCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000529280514 517049227 /nfs/dbraw/zinc/04/92/27/517049227.db2.gz BBRKGOMNCYWYTF-HZPDHXFCSA-N 1 3 350.532 2.524 20 0 FFADHO CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000529359696 517100485 /nfs/dbraw/zinc/10/04/85/517100485.db2.gz MRVQEXGRKAOAPE-OALUTQOASA-N 1 3 356.514 2.577 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]CC(C)(C)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000545205181 517102604 /nfs/dbraw/zinc/10/26/04/517102604.db2.gz QSBCZOBXISWITJ-HDICACEKSA-N 1 3 367.578 2.750 20 0 FFADHO [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2C1 ZINC000519698468 517132765 /nfs/dbraw/zinc/13/27/65/517132765.db2.gz CQFYKISINJHKBT-MJGOQNOKSA-N 1 3 364.493 2.748 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000562494238 517143337 /nfs/dbraw/zinc/14/33/37/517143337.db2.gz BLYSBNJAQOTNBI-QGZVFWFLSA-N 1 3 373.545 2.638 20 0 FFADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529720533 517310711 /nfs/dbraw/zinc/31/07/11/517310711.db2.gz SCBGPYJFUAUSKW-SFHVURJKSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000542135984 517400926 /nfs/dbraw/zinc/40/09/26/517400926.db2.gz OVGDRQXOARASPV-OAHLLOKOSA-N 1 3 370.497 2.604 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C3CCN(C(C)(C)C)CC3)c2cc1C ZINC000552911605 517440182 /nfs/dbraw/zinc/44/01/82/517440182.db2.gz IFXVHOLRZFSJPE-GOSISDBHSA-N 1 3 358.530 2.867 20 0 FFADHO CN1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549206705 517456889 /nfs/dbraw/zinc/45/68/89/517456889.db2.gz MGJQTRCTSFXCTJ-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549206705 517456895 /nfs/dbraw/zinc/45/68/95/517456895.db2.gz MGJQTRCTSFXCTJ-IBGZPJMESA-N 1 3 358.530 2.634 20 0 FFADHO CCOC(=O)COc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000520892961 517543740 /nfs/dbraw/zinc/54/37/40/517543740.db2.gz LLYKUSLFEDSWGH-IBGZPJMESA-N 1 3 360.498 2.792 20 0 FFADHO CCOC(=O)COc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000520892961 517543749 /nfs/dbraw/zinc/54/37/49/517543749.db2.gz LLYKUSLFEDSWGH-IBGZPJMESA-N 1 3 360.498 2.792 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3OC)CC2)CC1 ZINC000553146801 517544452 /nfs/dbraw/zinc/54/44/52/517544452.db2.gz CENLIKUWBZZGRL-UHFFFAOYSA-N 1 3 373.541 2.550 20 0 FFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000527223197 517572974 /nfs/dbraw/zinc/57/29/74/517572974.db2.gz SAXKEFUOLXUEEI-QZTJIDSGSA-N 1 3 363.546 2.813 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@@H](C)CC(=O)OCC)CC1 ZINC000542483870 517588029 /nfs/dbraw/zinc/58/80/29/517588029.db2.gz RVVCLJLDYXPVNA-SFHVURJKSA-N 1 3 361.530 2.992 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)CC(=O)OCC)CC1 ZINC000542483870 517588033 /nfs/dbraw/zinc/58/80/33/517588033.db2.gz RVVCLJLDYXPVNA-SFHVURJKSA-N 1 3 361.530 2.992 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000516163892 517594364 /nfs/dbraw/zinc/59/43/64/517594364.db2.gz FNCJZFPHTNUJJU-MDNKFWRPSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000516163892 517594370 /nfs/dbraw/zinc/59/43/70/517594370.db2.gz FNCJZFPHTNUJJU-MDNKFWRPSA-N 1 3 356.514 2.748 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000516179774 517605079 /nfs/dbraw/zinc/60/50/79/517605079.db2.gz DCZBWDFBXPKMDR-FQEVSTJZSA-N 1 3 352.482 2.609 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159372 517611213 /nfs/dbraw/zinc/61/12/13/517611213.db2.gz JVUDLQXESDZQQX-BHIFYINESA-N 1 3 357.542 2.836 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159372 517611228 /nfs/dbraw/zinc/61/12/28/517611228.db2.gz JVUDLQXESDZQQX-BHIFYINESA-N 1 3 357.542 2.836 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159372 517611238 /nfs/dbraw/zinc/61/12/38/517611238.db2.gz JVUDLQXESDZQQX-BHIFYINESA-N 1 3 357.542 2.836 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000560159372 517611252 /nfs/dbraw/zinc/61/12/52/517611252.db2.gz JVUDLQXESDZQQX-BHIFYINESA-N 1 3 357.542 2.836 20 0 FFADHO CC[N@H+](CCC1CCN(C[C@@H]2CCCS(=O)(=O)C2)CC1)CC(C)C ZINC000560164711 517615347 /nfs/dbraw/zinc/61/53/47/517615347.db2.gz MZZVYSBQYKFZGW-IBGZPJMESA-N 1 3 358.592 2.891 20 0 FFADHO CC[N@@H+](CCC1CCN(C[C@@H]2CCCS(=O)(=O)C2)CC1)CC(C)C ZINC000560164711 517615354 /nfs/dbraw/zinc/61/53/54/517615354.db2.gz MZZVYSBQYKFZGW-IBGZPJMESA-N 1 3 358.592 2.891 20 0 FFADHO c1ccc(-c2ncc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530244582 517651710 /nfs/dbraw/zinc/65/17/10/517651710.db2.gz ZUOXGMMUFQJICU-HXUWFJFHSA-N 1 3 352.482 2.734 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243780 517652619 /nfs/dbraw/zinc/65/26/19/517652619.db2.gz YRUHDZQYKJJNOC-SFTDATJTSA-N 1 3 373.541 2.687 20 0 FFADHO COc1cccc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530249034 517654564 /nfs/dbraw/zinc/65/45/64/517654564.db2.gz SRRVJITXQYHXGO-HXUWFJFHSA-N 1 3 370.497 2.676 20 0 FFADHO CCN(CC)c1ncc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530247947 517654806 /nfs/dbraw/zinc/65/48/06/517654806.db2.gz FBIDHKDXIVCPTH-MRXNPFEDSA-N 1 3 352.548 2.580 20 0 FFADHO CC1(C)CCN(CC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516314116 517657631 /nfs/dbraw/zinc/65/76/31/517657631.db2.gz XBFCYYDPLULDTP-UHFFFAOYSA-N 1 3 373.541 2.552 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563149282 517692688 /nfs/dbraw/zinc/69/26/88/517692688.db2.gz HPUMTEHUEGNPCU-SOUVJXGZSA-N 1 3 367.896 2.757 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000563152700 517695558 /nfs/dbraw/zinc/69/55/58/517695558.db2.gz WPFCMESKFJBUKV-AEGPPILISA-N 1 3 351.878 2.736 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000549807890 517719209 /nfs/dbraw/zinc/71/92/09/517719209.db2.gz PYTKXDCIYFBWES-RXVVDRJESA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000549807890 517719219 /nfs/dbraw/zinc/71/92/19/517719219.db2.gz PYTKXDCIYFBWES-RXVVDRJESA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000553558149 517781579 /nfs/dbraw/zinc/78/15/79/517781579.db2.gz DWGJEWNKNNGZTL-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000553558149 517781590 /nfs/dbraw/zinc/78/15/90/517781590.db2.gz DWGJEWNKNNGZTL-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1c(F)cccc1F ZINC000521609697 517795655 /nfs/dbraw/zinc/79/56/55/517795655.db2.gz CWEQPJWKBLTEIS-XOKHGSTOSA-N 1 3 351.441 2.595 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000563424759 517897977 /nfs/dbraw/zinc/89/79/77/517897977.db2.gz NAXMJITUQTYMSB-DFBGVHRSSA-N 1 3 359.283 2.599 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000550218322 517933186 /nfs/dbraw/zinc/93/31/86/517933186.db2.gz ICFKROSTDVIVHZ-ZWKOTPCHSA-N 1 3 353.551 2.504 20 0 FFADHO CCOC(=O)CC(C)(C)CCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000553871613 517944676 /nfs/dbraw/zinc/94/46/76/517944676.db2.gz BRPCNDNJJIFHMI-OALUTQOASA-N 1 3 367.578 2.846 20 0 FFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000517028395 517986005 /nfs/dbraw/zinc/98/60/05/517986005.db2.gz DWJHZVGEEIGPFA-ICSRJNTNSA-N 1 3 359.514 2.685 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000517111429 518029721 /nfs/dbraw/zinc/02/97/21/518029721.db2.gz SEDNIJDYXNATFK-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000517111429 518029730 /nfs/dbraw/zinc/02/97/30/518029730.db2.gz SEDNIJDYXNATFK-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000517122757 518032617 /nfs/dbraw/zinc/03/26/17/518032617.db2.gz DRMAOYDUBRYOCT-SXLOBPIMSA-N 1 3 372.582 2.585 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000517122757 518032625 /nfs/dbraw/zinc/03/26/25/518032625.db2.gz DRMAOYDUBRYOCT-SXLOBPIMSA-N 1 3 372.582 2.585 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522224358 518039700 /nfs/dbraw/zinc/03/97/00/518039700.db2.gz WTQYNNVNYDHZME-IBGZPJMESA-N 1 3 358.530 2.674 20 0 FFADHO CCN1CC[NH+](CCCCN[C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000543409583 518075699 /nfs/dbraw/zinc/07/56/99/518075699.db2.gz OCEVANSDJVSLTR-NRFANRHFSA-N 1 3 371.504 2.712 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000522839165 518169062 /nfs/dbraw/zinc/16/90/62/518169062.db2.gz NCAYPKYQLGIKRI-KRWDZBQOSA-N 1 3 362.518 2.871 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)Cc1ccccc1 ZINC000535261415 518171346 /nfs/dbraw/zinc/17/13/46/518171346.db2.gz KOJUXKUXQVZBFI-MOPGFXCFSA-N 1 3 362.562 2.825 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000578504920 518243341 /nfs/dbraw/zinc/24/33/41/518243341.db2.gz ZSFFEKAQPCMRBO-KBPBESRZSA-N 1 3 374.451 2.904 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000584275076 518257546 /nfs/dbraw/zinc/25/75/46/518257546.db2.gz PDFYHRJRSMSYJC-UHFFFAOYSA-N 1 3 371.485 2.831 20 0 FFADHO CCO[C@H](CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000578546853 518261393 /nfs/dbraw/zinc/26/13/93/518261393.db2.gz QQLHYLLYXFTJJY-HXUWFJFHSA-N 1 3 367.578 2.750 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cc2c(cc1Br)OCO2 ZINC000572612698 518277899 /nfs/dbraw/zinc/27/78/99/518277899.db2.gz XBTUYZXWJNYEBR-BAYUOZKJSA-N 1 3 353.260 2.783 20 0 FFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000581427042 518280765 /nfs/dbraw/zinc/28/07/65/518280765.db2.gz ZJVUMOHAQXAZJE-VQTJNVASSA-N 1 3 374.573 2.506 20 0 FFADHO C[C@]1(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]C1 ZINC000572618590 518280858 /nfs/dbraw/zinc/28/08/58/518280858.db2.gz SLPCEWNYTNZHSW-LPHOPBHVSA-N 1 3 364.559 2.649 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)c(C)c2)CC1 ZINC000584331284 518285302 /nfs/dbraw/zinc/28/53/02/518285302.db2.gz LDWQZADIICQGAY-LJQANCHMSA-N 1 3 358.530 2.854 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)N2CCCC2)cc1 ZINC000584340274 518291484 /nfs/dbraw/zinc/29/14/84/518291484.db2.gz GCVNVBKZQRZJCU-RLLQIKCJSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000575865756 518318090 /nfs/dbraw/zinc/31/80/90/518318090.db2.gz RLYFLYQXKZZPDK-MRXNPFEDSA-N 1 3 367.493 2.593 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000564208136 518351854 /nfs/dbraw/zinc/35/18/54/518351854.db2.gz XJHQOCRLBKBGDL-MOPGFXCFSA-N 1 3 367.497 2.719 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569920552 518355843 /nfs/dbraw/zinc/35/58/43/518355843.db2.gz HUWXROXCGVKUID-GJZGRUSLSA-N 1 3 360.420 2.767 20 0 FFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000567109948 518356374 /nfs/dbraw/zinc/35/63/74/518356374.db2.gz JFTVKHZWELPWCN-SFTDATJTSA-N 1 3 371.525 2.641 20 0 FFADHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000575949088 518356947 /nfs/dbraw/zinc/35/69/47/518356947.db2.gz LPZJVTJPTVRRJN-UXHICEINSA-N 1 3 373.589 2.986 20 0 FFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000567365048 518486819 /nfs/dbraw/zinc/48/68/19/518486819.db2.gz FXLRTJMCUOJSRN-HKBOAZHASA-N 1 3 373.541 2.814 20 0 FFADHO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000576230692 518492822 /nfs/dbraw/zinc/49/28/22/518492822.db2.gz LADWLPMVEMWCLA-GOSISDBHSA-N 1 3 355.530 2.702 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C(N)C(F)(F)F)cc2)C1 ZINC000567381873 518497097 /nfs/dbraw/zinc/49/70/97/518497097.db2.gz OPDNNHOTALUFJG-IOASZLSFSA-N 1 3 357.420 2.670 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000567392123 518501532 /nfs/dbraw/zinc/50/15/32/518501532.db2.gz FNXXUWJYHQJRTF-XJNFMUPTSA-N 1 3 369.431 2.942 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CCN1Cc1ccccc1 ZINC000582022302 518550110 /nfs/dbraw/zinc/55/01/10/518550110.db2.gz DQESXWTXGCJEBI-UYWIDEMCSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579233967 518585943 /nfs/dbraw/zinc/58/59/43/518585943.db2.gz CJBSEIVVENQUCZ-JKSUJKDBSA-N 1 3 355.482 2.956 20 0 FFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576465397 518605999 /nfs/dbraw/zinc/60/59/99/518605999.db2.gz GACXRDWEYKXDKA-ASAVKBKASA-N 1 3 359.558 2.781 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCOC3CCCC3)CC2)CC1 ZINC000567625814 518622022 /nfs/dbraw/zinc/62/20/22/518622022.db2.gz XNZVNYJNXMNKRU-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)CCc3ccccc3)cc2)CC1 ZINC000564842766 518644822 /nfs/dbraw/zinc/64/48/22/518644822.db2.gz HUWQWQPWDKFHAA-HSZRJFAPSA-N 1 3 367.537 2.517 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000567685209 518654381 /nfs/dbraw/zinc/65/43/81/518654381.db2.gz XMGQSJOLVCWNOM-BZUAXINKSA-N 1 3 371.319 2.651 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000570539136 518657087 /nfs/dbraw/zinc/65/70/87/518657087.db2.gz NESBUWPXZMHZJW-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000570539136 518657095 /nfs/dbraw/zinc/65/70/95/518657095.db2.gz NESBUWPXZMHZJW-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CC[C@H](Cn1cncn1)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000579413066 518665882 /nfs/dbraw/zinc/66/58/82/518665882.db2.gz GKRUJEBRJBMBMR-LJQANCHMSA-N 1 3 357.502 2.567 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)CCOC(C)C)C2)s1 ZINC000579480793 518702103 /nfs/dbraw/zinc/70/21/03/518702103.db2.gz XPLSSJFEGIKNGN-QZTJIDSGSA-N 1 3 354.560 2.986 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)CCOC(C)C)C2)s1 ZINC000579480793 518702107 /nfs/dbraw/zinc/70/21/07/518702107.db2.gz XPLSSJFEGIKNGN-QZTJIDSGSA-N 1 3 354.560 2.986 20 0 FFADHO CC[NH+]1CCC(NCCC(=O)Nc2cccc(Br)c2)CC1 ZINC000570675957 518726471 /nfs/dbraw/zinc/72/64/71/518726471.db2.gz WCWURGWBBCVLBQ-UHFFFAOYSA-N 1 3 354.292 2.852 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000579572298 518746562 /nfs/dbraw/zinc/74/65/62/518746562.db2.gz WMOJXYIGCHAORM-ORYQWCPZSA-N 1 3 370.541 2.899 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000579690599 518803875 /nfs/dbraw/zinc/80/38/75/518803875.db2.gz GWKUAJBAQFUUFB-GGPKGHCWSA-N 1 3 358.530 2.586 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000570843729 518808208 /nfs/dbraw/zinc/80/82/08/518808208.db2.gz QHQLZLDNGQFVGD-OKZBNKHCSA-N 1 3 372.513 2.662 20 0 FFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000576885773 518811665 /nfs/dbraw/zinc/81/16/65/518811665.db2.gz YNCGJHCQSGHBEB-QGWWYQLQSA-N 1 3 363.933 2.880 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000582724948 518892353 /nfs/dbraw/zinc/89/23/53/518892353.db2.gz JVFCHOWUTIUQAE-JRGCBEDISA-N 1 3 357.542 2.963 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000573954245 518916688 /nfs/dbraw/zinc/91/66/88/518916688.db2.gz ZRCYDFPOEQTHQI-HDICACEKSA-N 1 3 352.544 2.808 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000573954245 518916692 /nfs/dbraw/zinc/91/66/92/518916692.db2.gz ZRCYDFPOEQTHQI-HDICACEKSA-N 1 3 352.544 2.808 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000573954249 518917132 /nfs/dbraw/zinc/91/71/32/518917132.db2.gz ZRCYDFPOEQTHQI-ROUUACIJSA-N 1 3 352.544 2.808 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C3CC3)C(F)(F)F)CC2)CC1 ZINC000568222068 518935562 /nfs/dbraw/zinc/93/55/62/518935562.db2.gz IGFYWWZDSWHAJR-MRXNPFEDSA-N 1 3 361.452 2.640 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000568232934 518941463 /nfs/dbraw/zinc/94/14/63/518941463.db2.gz SCODYGOVOVUROL-NZSAHSFTSA-N 1 3 358.530 2.727 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000589212040 518953217 /nfs/dbraw/zinc/95/32/17/518953217.db2.gz GOTUOKPTOJPCSG-RLLQIKCJSA-N 1 3 356.514 2.702 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000568371788 519007038 /nfs/dbraw/zinc/00/70/38/519007038.db2.gz VQWGKLFJOJYKMU-LJQANCHMSA-N 1 3 372.557 2.976 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000568372707 519007607 /nfs/dbraw/zinc/00/76/07/519007607.db2.gz JXQJJAMGTFXOGW-IEBWSBKVSA-N 1 3 358.530 2.728 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000577367899 519046204 /nfs/dbraw/zinc/04/62/04/519046204.db2.gz LJUHRFPLNKZBRB-UHFFFAOYSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H](C(=O)N1CCC(CC[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000574287567 519082009 /nfs/dbraw/zinc/08/20/09/519082009.db2.gz NNFMLXWPZMGEGR-GOSISDBHSA-N 1 3 357.542 2.917 20 0 FFADHO CCCOCc1ccccc1CNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568632211 519140435 /nfs/dbraw/zinc/14/04/35/519140435.db2.gz LTNHJJYZSPQGKS-UXHICEINSA-N 1 3 373.541 2.551 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000574535141 519203332 /nfs/dbraw/zinc/20/33/32/519203332.db2.gz RFANGPFTSVWVAC-UHFFFAOYSA-N 1 3 364.509 2.631 20 0 FFADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCC1(c2ccccc2)CCCC1 ZINC000568765744 519204414 /nfs/dbraw/zinc/20/44/14/519204414.db2.gz ZFXFCPFNZOSQIA-VQTJNVASSA-N 1 3 369.553 2.936 20 0 FFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000577723942 519224012 /nfs/dbraw/zinc/22/40/12/519224012.db2.gz OCCQVDJKZRJCAZ-LKXUXUIPSA-N 1 3 356.514 2.639 20 0 FFADHO O=C(CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)NC1CCCCC1 ZINC000583435016 519247286 /nfs/dbraw/zinc/24/72/86/519247286.db2.gz ZYVIDIUMSFISJY-NQIIRXRSSA-N 1 3 357.498 2.671 20 0 FFADHO NCc1cn([C@@H]2CCCN(CCSc3ccc(Cl)cc3)C2)nn1 ZINC000574624581 519247852 /nfs/dbraw/zinc/24/78/52/519247852.db2.gz LETDMLMAUYNLAT-OAHLLOKOSA-N 1 3 351.907 2.819 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](CCSc3ccc(Cl)cc3)C2)nn1 ZINC000574624581 519247858 /nfs/dbraw/zinc/24/78/58/519247858.db2.gz LETDMLMAUYNLAT-OAHLLOKOSA-N 1 3 351.907 2.819 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](CCSc3ccc(Cl)cc3)C2)nn1 ZINC000574624581 519247866 /nfs/dbraw/zinc/24/78/66/519247866.db2.gz LETDMLMAUYNLAT-OAHLLOKOSA-N 1 3 351.907 2.819 20 0 FFADHO O[C@H](CCc1ccccc1)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566091162 519292634 /nfs/dbraw/zinc/29/26/34/519292634.db2.gz UXGIHVOOBFJUEO-KAGYGMCKSA-N 1 3 352.478 2.826 20 0 FFADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCCC2=CC[NH2+]CC2)cc1 ZINC000566092189 519293375 /nfs/dbraw/zinc/29/33/75/519293375.db2.gz RDUJUNSCETVHER-VQTJNVASSA-N 1 3 362.539 2.979 20 0 FFADHO CSC1(CNCc2c(C)nn(-c3ccccn3)c2C)CC[NH+](C)CC1 ZINC000571844689 519303994 /nfs/dbraw/zinc/30/39/94/519303994.db2.gz GFJQSIAXVYJFGG-UHFFFAOYSA-N 1 3 359.543 2.801 20 0 FFADHO CSC1(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CCN(C)CC1 ZINC000571844689 519304002 /nfs/dbraw/zinc/30/40/02/519304002.db2.gz GFJQSIAXVYJFGG-UHFFFAOYSA-N 1 3 359.543 2.801 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC2CC[NH2+]CC2)N(CC)CC)cc1 ZINC000580704562 519313525 /nfs/dbraw/zinc/31/35/25/519313525.db2.gz KSTOPKNJWRCLGV-HXUWFJFHSA-N 1 3 360.546 2.931 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C2CC2)CC1 ZINC000590788433 519371543 /nfs/dbraw/zinc/37/15/43/519371543.db2.gz ZMJWWUXFFREIDK-OAQYLSRUSA-N 1 3 355.526 2.950 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccccc3Br)C[C@H]21 ZINC000566244460 519391004 /nfs/dbraw/zinc/39/10/04/519391004.db2.gz WEWQHLPUJCVIFL-UMVBOHGHSA-N 1 3 366.303 2.837 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580882626 519408323 /nfs/dbraw/zinc/40/83/23/519408323.db2.gz GCHAJKUJAWXGKB-MBPVOVBZSA-N 1 3 370.541 2.584 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127182 519432437 /nfs/dbraw/zinc/43/24/37/519432437.db2.gz GSQGKCYPHOKOOU-CZUORRHYSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127182 519432446 /nfs/dbraw/zinc/43/24/46/519432446.db2.gz GSQGKCYPHOKOOU-CZUORRHYSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127182 519432454 /nfs/dbraw/zinc/43/24/54/519432454.db2.gz GSQGKCYPHOKOOU-CZUORRHYSA-N 1 3 358.404 2.519 20 0 FFADHO C[C@H](NC1(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000578129945 519434458 /nfs/dbraw/zinc/43/44/58/519434458.db2.gz JRMUXLIEHVPVEN-DFQSSKMNSA-N 1 3 373.541 2.910 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccsc1 ZINC000578171232 519456277 /nfs/dbraw/zinc/45/62/77/519456277.db2.gz RWZUFDVEBYCYGT-IEBWSBKVSA-N 1 3 364.559 2.916 20 0 FFADHO O=C(CC[NH2+]Cc1ccccc1CN1CCC(O)CC1)Nc1ccccc1 ZINC000575040255 519466236 /nfs/dbraw/zinc/46/62/36/519466236.db2.gz RECKRGXFPFLMKO-UHFFFAOYSA-N 1 3 367.493 2.762 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(-n2cccn2)c1 ZINC000572167219 519477034 /nfs/dbraw/zinc/47/70/34/519477034.db2.gz WACZNMXPAAWXEL-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(-n2cccn2)c1 ZINC000572167219 519477041 /nfs/dbraw/zinc/47/70/41/519477041.db2.gz WACZNMXPAAWXEL-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCCSC)CC2)CC1 ZINC000566451735 519502102 /nfs/dbraw/zinc/50/21/02/519502102.db2.gz TUFGUZSFOAAXSM-UHFFFAOYSA-N 1 3 355.592 2.832 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000591102070 519512100 /nfs/dbraw/zinc/51/21/00/519512100.db2.gz YBBMQLXHVYMGLI-ZWKOTPCHSA-N 1 3 359.514 2.621 20 0 FFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000591102070 519512110 /nfs/dbraw/zinc/51/21/10/519512110.db2.gz YBBMQLXHVYMGLI-ZWKOTPCHSA-N 1 3 359.514 2.621 20 0 FFADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000575154574 519529092 /nfs/dbraw/zinc/52/90/92/519529092.db2.gz SDUHYFLNCWYGDE-UXHICEINSA-N 1 3 350.466 2.899 20 0 FFADHO C[N@H+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCC1 ZINC000591416218 519620269 /nfs/dbraw/zinc/62/02/69/519620269.db2.gz JOEYJAPQNSHXST-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCC1 ZINC000591416218 519620270 /nfs/dbraw/zinc/62/02/70/519620270.db2.gz JOEYJAPQNSHXST-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](Cn2cccn2)c2ccccc2)CC[NH2+]CC1 ZINC000591567557 519954576 /nfs/dbraw/zinc/95/45/76/519954576.db2.gz VCSRUFMFQYHXBI-IEBWSBKVSA-N 1 3 370.497 2.535 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2COc3c2cccc3Cl)CC[NH2+]CC1 ZINC000591568337 519954806 /nfs/dbraw/zinc/95/48/06/519954806.db2.gz RSERTHWXEBGRDN-DOMZBBRYSA-N 1 3 352.862 2.685 20 0 FFADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000594668678 520075650 /nfs/dbraw/zinc/07/56/50/520075650.db2.gz WPVPEOSFBLKIFE-ICSRJNTNSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000594668678 520075653 /nfs/dbraw/zinc/07/56/53/520075653.db2.gz WPVPEOSFBLKIFE-ICSRJNTNSA-N 1 3 359.489 2.638 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000612861912 520193853 /nfs/dbraw/zinc/19/38/53/520193853.db2.gz CMXVOYPEWHJHEQ-QAPCUYQASA-N 1 3 350.532 2.572 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H]1c1cccs1 ZINC000612974044 520250512 /nfs/dbraw/zinc/25/05/12/520250512.db2.gz NXSBFCIVTVHRKU-PVAVHDDUSA-N 1 3 362.543 2.572 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000616993371 520263811 /nfs/dbraw/zinc/26/38/11/520263811.db2.gz HFHBAYDUOGJPOR-RBUKOAKNSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000616993371 520263819 /nfs/dbraw/zinc/26/38/19/520263819.db2.gz HFHBAYDUOGJPOR-RBUKOAKNSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2)CC1 ZINC000616994708 520266109 /nfs/dbraw/zinc/26/61/09/520266109.db2.gz DDZIXDKYPGTIHC-GOSISDBHSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC000616994708 520266113 /nfs/dbraw/zinc/26/61/13/520266113.db2.gz DDZIXDKYPGTIHC-GOSISDBHSA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2)CC1 ZINC000617351910 520449884 /nfs/dbraw/zinc/44/98/84/520449884.db2.gz RSFUDOLXSIRPOG-LJQANCHMSA-N 1 3 372.557 2.820 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC000617351910 520449893 /nfs/dbraw/zinc/44/98/93/520449893.db2.gz RSFUDOLXSIRPOG-LJQANCHMSA-N 1 3 372.557 2.820 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000604171499 520469358 /nfs/dbraw/zinc/46/93/58/520469358.db2.gz QJPFZYJUFQVDPK-NVXWUHKLSA-N 1 3 350.532 2.667 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000604171499 520469362 /nfs/dbraw/zinc/46/93/62/520469362.db2.gz QJPFZYJUFQVDPK-NVXWUHKLSA-N 1 3 350.532 2.667 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CCN(C4CC4)C3)c2)CC1 ZINC000604191709 520478551 /nfs/dbraw/zinc/47/85/51/520478551.db2.gz ZFYXBTGLPDSPSM-FQEVSTJZSA-N 1 3 370.541 2.954 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000604322300 520520503 /nfs/dbraw/zinc/52/05/03/520520503.db2.gz YJWRJKXWDDZDQI-FPOVZHCZSA-N 1 3 373.541 2.565 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000604322300 520520509 /nfs/dbraw/zinc/52/05/09/520520509.db2.gz YJWRJKXWDDZDQI-FPOVZHCZSA-N 1 3 373.541 2.565 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000617504025 520539527 /nfs/dbraw/zinc/53/95/27/520539527.db2.gz FPEORYRIRNKWOI-ZDUSSCGKSA-N 1 3 350.894 2.823 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000617504025 520539535 /nfs/dbraw/zinc/53/95/35/520539535.db2.gz FPEORYRIRNKWOI-ZDUSSCGKSA-N 1 3 350.894 2.823 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1Oc1cccnc1 ZINC000617504784 520541780 /nfs/dbraw/zinc/54/17/80/520541780.db2.gz KEFIEGPPSVASED-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1Oc1cccnc1 ZINC000617504784 520541785 /nfs/dbraw/zinc/54/17/85/520541785.db2.gz KEFIEGPPSVASED-KRWDZBQOSA-N 1 3 370.497 2.876 20 0 FFADHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Br ZINC000617505622 520542311 /nfs/dbraw/zinc/54/23/11/520542311.db2.gz KIMWZCFMAROXNL-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Br ZINC000617505622 520542316 /nfs/dbraw/zinc/54/23/16/520542316.db2.gz KIMWZCFMAROXNL-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000601341135 520748887 /nfs/dbraw/zinc/74/88/87/520748887.db2.gz CKSBXNNMPMCZNX-SJLPKXTDSA-N 1 3 350.551 2.671 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000601341135 520748894 /nfs/dbraw/zinc/74/88/94/520748894.db2.gz CKSBXNNMPMCZNX-SJLPKXTDSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000606638472 521117734 /nfs/dbraw/zinc/11/77/34/521117734.db2.gz KNDDMRBEIAUUHM-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000606638472 521117739 /nfs/dbraw/zinc/11/77/39/521117739.db2.gz KNDDMRBEIAUUHM-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO COC(=O)c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000597177236 521557676 /nfs/dbraw/zinc/55/76/76/521557676.db2.gz NGNOAEICSXTAGK-UHFFFAOYSA-N 1 3 364.461 2.593 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000616077751 521617432 /nfs/dbraw/zinc/61/74/32/521617432.db2.gz RICNUQJQRKBDLL-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000623355306 521961220 /nfs/dbraw/zinc/96/12/20/521961220.db2.gz IZUPMDRPSILBJY-NHCUHLMSSA-N 1 3 358.574 2.828 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4cccc(OC)c4C3)CC2)CC1 ZINC000629114511 521974068 /nfs/dbraw/zinc/97/40/68/521974068.db2.gz NJFKFFCPZCTLGG-UHFFFAOYSA-N 1 3 371.525 2.734 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000623415405 522006243 /nfs/dbraw/zinc/00/62/43/522006243.db2.gz KNOQFBOMLZDWKB-PWRODBHTSA-N 1 3 351.494 2.751 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000623415405 522006248 /nfs/dbraw/zinc/00/62/48/522006248.db2.gz KNOQFBOMLZDWKB-PWRODBHTSA-N 1 3 351.494 2.751 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623515091 522082488 /nfs/dbraw/zinc/08/24/88/522082488.db2.gz ONMYLNOYESWVRQ-NHCUHLMSSA-N 1 3 372.557 2.930 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623515091 522082498 /nfs/dbraw/zinc/08/24/98/522082498.db2.gz ONMYLNOYESWVRQ-NHCUHLMSSA-N 1 3 372.557 2.930 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000623644577 522188344 /nfs/dbraw/zinc/18/83/44/522188344.db2.gz NFDQDMMXWGXVON-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C/C=C/Cc3ccccc3)CC2)CC1 ZINC000635457577 522280241 /nfs/dbraw/zinc/28/02/41/522280241.db2.gz LSELWZVTCMDVIS-AATRIKPKSA-N 1 3 355.526 2.850 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000629516566 522294953 /nfs/dbraw/zinc/29/49/53/522294953.db2.gz KOZKXJQXHQXDFN-FXAWDEMLSA-N 1 3 358.530 2.594 20 0 FFADHO CN1CC[C@H](C[NH2+]C[C@H](O)CN2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000629573557 522325649 /nfs/dbraw/zinc/32/56/49/522325649.db2.gz FNQSTSHCMISZPU-JTDSTZFVSA-N 1 3 369.912 2.518 20 0 FFADHO CN1CC[C@H](CNC[C@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000629573557 522325658 /nfs/dbraw/zinc/32/56/58/522325658.db2.gz FNQSTSHCMISZPU-JTDSTZFVSA-N 1 3 369.912 2.518 20 0 FFADHO COC[C@@H](C)N(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000629590336 522336536 /nfs/dbraw/zinc/33/65/36/522336536.db2.gz VALLHUMTAIAETC-WIQPIVSASA-N 1 3 368.521 2.942 20 0 FFADHO COC[C@@H](C)[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000629590336 522336542 /nfs/dbraw/zinc/33/65/42/522336542.db2.gz VALLHUMTAIAETC-WIQPIVSASA-N 1 3 368.521 2.942 20 0 FFADHO COC[C@@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000629590336 522336545 /nfs/dbraw/zinc/33/65/45/522336545.db2.gz VALLHUMTAIAETC-WIQPIVSASA-N 1 3 368.521 2.942 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CCCCO1 ZINC000623915534 522364576 /nfs/dbraw/zinc/36/45/76/522364576.db2.gz ISYVOLZOTBZRJC-YLJYHZDGSA-N 1 3 359.514 2.559 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(OC)c1 ZINC000624119871 522488226 /nfs/dbraw/zinc/48/82/26/522488226.db2.gz LDKKLSFAWITZGX-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)c(OC)c1 ZINC000624119871 522488238 /nfs/dbraw/zinc/48/82/38/522488238.db2.gz LDKKLSFAWITZGX-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624119871 522488247 /nfs/dbraw/zinc/48/82/47/522488247.db2.gz LDKKLSFAWITZGX-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CCN1C1CCCCC1 ZINC000624126095 522489882 /nfs/dbraw/zinc/48/98/82/522489882.db2.gz XMWBAWHNVPTAQU-LJQANCHMSA-N 1 3 350.551 2.959 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624120764 522490010 /nfs/dbraw/zinc/49/00/10/522490010.db2.gz GKTLEAKKORBICF-HZPDHXFCSA-N 1 3 353.532 2.831 20 0 FFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000629980666 522566171 /nfs/dbraw/zinc/56/61/71/522566171.db2.gz RVULNCPEPUSXPP-HMXCVIKNSA-N 1 3 355.526 2.888 20 0 FFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000629980666 522566181 /nfs/dbraw/zinc/56/61/81/522566181.db2.gz RVULNCPEPUSXPP-HMXCVIKNSA-N 1 3 355.526 2.888 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000626984533 522572764 /nfs/dbraw/zinc/57/27/64/522572764.db2.gz HTFDGNSPMOCTPX-MPTYRVRUSA-N 1 3 350.532 2.571 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626993751 522576770 /nfs/dbraw/zinc/57/67/70/522576770.db2.gz MCRXEKYDFQWVIK-XODARUQUSA-N 1 3 370.541 2.538 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000621104454 522625454 /nfs/dbraw/zinc/62/54/54/522625454.db2.gz YNMQPRUPTGCTQP-NHCUHLMSSA-N 1 3 370.541 2.532 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000621104454 522625459 /nfs/dbraw/zinc/62/54/59/522625459.db2.gz YNMQPRUPTGCTQP-NHCUHLMSSA-N 1 3 370.541 2.532 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000624385426 522650965 /nfs/dbraw/zinc/65/09/65/522650965.db2.gz CXHIGTKWAQNWFI-VQTJNVASSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000624385426 522650970 /nfs/dbraw/zinc/65/09/70/522650970.db2.gz CXHIGTKWAQNWFI-VQTJNVASSA-N 1 3 370.541 2.682 20 0 FFADHO COc1cc(CN(C)C)ccc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000633372485 522705897 /nfs/dbraw/zinc/70/58/97/522705897.db2.gz MJLCOYKNCWXODB-UHFFFAOYSA-N 1 3 371.481 2.950 20 0 FFADHO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000636095388 522731555 /nfs/dbraw/zinc/73/15/55/522731555.db2.gz GQNASBBNRJGTIE-RLLQIKCJSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000636095389 522732189 /nfs/dbraw/zinc/73/21/89/522732189.db2.gz GQNASBBNRJGTIE-YSIASYRMSA-N 1 3 359.489 2.781 20 0 FFADHO CCCc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000621361883 522798696 /nfs/dbraw/zinc/79/86/96/522798696.db2.gz KRQBEUZIWSLCTG-UHFFFAOYSA-N 1 3 351.560 2.587 20 0 FFADHO COc1cccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000621641185 522991146 /nfs/dbraw/zinc/99/11/46/522991146.db2.gz CEDHQZGDNVXAAR-XLIONFOSSA-N 1 3 359.514 2.728 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)c3cccc(CN4CCCC4)c3)cn2)CC1 ZINC000634090343 523178483 /nfs/dbraw/zinc/17/84/83/523178483.db2.gz AMORFNHBKNYEOK-UHFFFAOYSA-N 1 3 367.497 2.998 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@@H]1CCN(C2CC2)C1 ZINC000625486535 523474759 /nfs/dbraw/zinc/47/47/59/523474759.db2.gz GWURBUMOACNMOH-BHIFYINESA-N 1 3 367.537 2.840 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@@H]1CCN(C2CC2)C1 ZINC000625486535 523474770 /nfs/dbraw/zinc/47/47/70/523474770.db2.gz GWURBUMOACNMOH-BHIFYINESA-N 1 3 367.537 2.840 20 0 FFADHO CC(C)C[C@@H](N)c1noc(CC2([NH3+])CCN(Cc3ccccc3)CC2)n1 ZINC000634555805 523499973 /nfs/dbraw/zinc/49/99/73/523499973.db2.gz VJNONUNKCWYILY-QGZVFWFLSA-N 1 3 357.502 2.652 20 0 FFADHO Cn1cc(CCN2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000625581524 523550016 /nfs/dbraw/zinc/55/00/16/523550016.db2.gz QMZWVCGVALBMKK-OAQYLSRUSA-N 1 3 367.541 2.980 20 0 FFADHO Cn1cc(CC[N@@H+]2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)nn1 ZINC000625581524 523550027 /nfs/dbraw/zinc/55/00/27/523550027.db2.gz QMZWVCGVALBMKK-OAQYLSRUSA-N 1 3 367.541 2.980 20 0 FFADHO Cn1cc(CC[N@H+]2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)nn1 ZINC000625581524 523550038 /nfs/dbraw/zinc/55/00/38/523550038.db2.gz QMZWVCGVALBMKK-OAQYLSRUSA-N 1 3 367.541 2.980 20 0 FFADHO O[C@]1(CN[C@H](c2ccccc2)[C@@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708927 523596711 /nfs/dbraw/zinc/59/67/11/523596711.db2.gz BFEIPSXOWLDWCD-ZLNRFVROSA-N 1 3 366.505 2.991 20 0 FFADHO O[C@]1(CN[C@H](c2ccccc2)[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708927 523596719 /nfs/dbraw/zinc/59/67/19/523596719.db2.gz BFEIPSXOWLDWCD-ZLNRFVROSA-N 1 3 366.505 2.991 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000623072501 523657464 /nfs/dbraw/zinc/65/74/64/523657464.db2.gz CSZFWGMHCBWGPM-RBUKOAKNSA-N 1 3 356.445 2.846 20 0 FFADHO CN(C)CCN(C)CCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000623088053 523675346 /nfs/dbraw/zinc/67/53/46/523675346.db2.gz UJRHIWCRARZPGB-UHFFFAOYSA-N 1 3 369.513 2.806 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000669128403 568096523 /nfs/dbraw/zinc/09/65/23/568096523.db2.gz ICHZQHABXAIVRG-NRSPTQNISA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000669128403 568096524 /nfs/dbraw/zinc/09/65/24/568096524.db2.gz ICHZQHABXAIVRG-NRSPTQNISA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)C[C@@H](C)OCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000130543608 728719270 /nfs/dbraw/zinc/71/92/70/728719270.db2.gz XGDBORSEZILLGA-QGZVFWFLSA-N 1 3 353.551 2.503 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000902318722 735931591 /nfs/dbraw/zinc/93/15/91/735931591.db2.gz RGFLISYIVWWGRD-OAHLLOKOSA-N 1 3 368.319 2.547 20 0 FFADHO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183415521 729303774 /nfs/dbraw/zinc/30/37/74/729303774.db2.gz YCKREZUDWVGIFM-QFBILLFUSA-N 1 3 350.503 2.729 20 0 FFADHO C[N@@H+]1CCCN(CCCNCc2c(F)cccc2Br)CC1 ZINC000194624023 729516063 /nfs/dbraw/zinc/51/60/63/729516063.db2.gz PPGVRCVUMJEXSN-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO C[N@H+]1CCCN(CCCNCc2c(F)cccc2Br)CC1 ZINC000194624023 729516065 /nfs/dbraw/zinc/51/60/65/729516065.db2.gz PPGVRCVUMJEXSN-UHFFFAOYSA-N 1 3 358.299 2.705 20 0 FFADHO C[C@H](NCCCC[NH+]1CCN(C)CC1)c1nc(Br)ccc1F ZINC000924658714 738437016 /nfs/dbraw/zinc/43/70/16/738437016.db2.gz MMHWOSBNWOYRRJ-ZDUSSCGKSA-N 1 3 373.314 2.661 20 0 FFADHO CO[C@@]1(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCOC1 ZINC000638530464 730031055 /nfs/dbraw/zinc/03/10/55/730031055.db2.gz MEJYSGBCERFBRS-LJQANCHMSA-N 1 3 352.906 2.947 20 0 FFADHO COc1ccc([C@H](OC)[C@@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638855065 730049036 /nfs/dbraw/zinc/04/90/36/730049036.db2.gz TWDCGGNHESJOKO-DNVCBOLYSA-N 1 3 350.503 2.596 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000639653529 730092558 /nfs/dbraw/zinc/09/25/58/730092558.db2.gz CXUJHPGPIHULKK-RDJZCZTQSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000639653529 730092559 /nfs/dbraw/zinc/09/25/59/730092559.db2.gz CXUJHPGPIHULKK-RDJZCZTQSA-N 1 3 359.297 2.761 20 0 FFADHO C[N@H+](C[C@H](O)CNCCc1ccc(Br)cc1Cl)C1CC1 ZINC000644655489 730491191 /nfs/dbraw/zinc/49/11/91/730491191.db2.gz HEMNBKADUKGOOG-CQSZACIVSA-N 1 3 361.711 2.690 20 0 FFADHO C[N@@H+](C[C@H](O)CNCCc1ccc(Br)cc1Cl)C1CC1 ZINC000644655489 730491192 /nfs/dbraw/zinc/49/11/92/730491192.db2.gz HEMNBKADUKGOOG-CQSZACIVSA-N 1 3 361.711 2.690 20 0 FFADHO FC(F)(F)c1cc(Cl)c2nnc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2c1 ZINC000647791244 730762327 /nfs/dbraw/zinc/76/23/27/730762327.db2.gz BBWJIIJMXIAUSZ-JFGNBEQYSA-N 1 3 373.810 2.879 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865414499 730952011 /nfs/dbraw/zinc/95/20/11/730952011.db2.gz SSYVUCJMKDZGOB-ZDUSSCGKSA-N 1 3 363.399 2.840 20 0 FFADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(c3ccccc3OC(F)F)C1)[NH2+]2 ZINC000925506634 738511164 /nfs/dbraw/zinc/51/11/64/738511164.db2.gz VOOXWAYNWCYVNI-CWVYHPPDSA-N 1 3 351.441 2.985 20 0 FFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000652351781 731186384 /nfs/dbraw/zinc/18/63/84/731186384.db2.gz WRJLRROWMOEGLJ-GUYCJALGSA-N 1 3 366.303 2.839 20 0 FFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000652351781 731186387 /nfs/dbraw/zinc/18/63/87/731186387.db2.gz WRJLRROWMOEGLJ-GUYCJALGSA-N 1 3 366.303 2.839 20 0 FFADHO CC(C)N(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CCCC1 ZINC000652362458 731187735 /nfs/dbraw/zinc/18/77/35/731187735.db2.gz HSLDQIQMFMKKOF-UHOSZYNNSA-N 1 3 351.535 2.527 20 0 FFADHO CCc1nc(CN2CCC(CN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cs1 ZINC000925576956 738515432 /nfs/dbraw/zinc/51/54/32/738515432.db2.gz ZKFXAZJAWRMLTO-OUEOUJKYSA-N 1 3 360.571 2.504 20 0 FFADHO CCS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925834286 738534679 /nfs/dbraw/zinc/53/46/79/738534679.db2.gz MHUOCKBVIZMYEN-GUDVDZBRSA-N 1 3 364.555 2.923 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)c2)nn1 ZINC000873215473 731891680 /nfs/dbraw/zinc/89/16/80/731891680.db2.gz BETLWGTVHOUAAD-KBPBESRZSA-N 1 3 353.392 2.937 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000876029777 732208747 /nfs/dbraw/zinc/20/87/47/732208747.db2.gz OWADFBFDTVPEFF-KRWDZBQOSA-N 1 3 350.551 2.623 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000876723892 732272849 /nfs/dbraw/zinc/27/28/49/732272849.db2.gz ZODWRVZIYIASHB-UONOGXRCSA-N 1 3 364.559 2.769 20 0 FFADHO CCc1ccc([C@H](CNC(=O)c2cc3c(s2)CCNC3)[NH+](C)C)cc1 ZINC000662348633 732301378 /nfs/dbraw/zinc/30/13/78/732301378.db2.gz WRHHADIKTSQHKZ-KRWDZBQOSA-N 1 3 357.523 2.989 20 0 FFADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@@H]3CC3(Cl)Cl)c2)C1 ZINC000877026549 732314329 /nfs/dbraw/zinc/31/43/29/732314329.db2.gz FBURRQGZSWSQSX-CVEARBPZSA-N 1 3 370.324 2.667 20 0 FFADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H]3CC3(Cl)Cl)c2)C1 ZINC000877026549 732314334 /nfs/dbraw/zinc/31/43/34/732314334.db2.gz FBURRQGZSWSQSX-CVEARBPZSA-N 1 3 370.324 2.667 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc(Cl)c1 ZINC000663444218 732442182 /nfs/dbraw/zinc/44/21/82/732442182.db2.gz UPGALMVEHBONHC-LSDHHAIUSA-N 1 3 354.926 2.972 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc(Cl)c1 ZINC000663444218 732442187 /nfs/dbraw/zinc/44/21/87/732442187.db2.gz UPGALMVEHBONHC-LSDHHAIUSA-N 1 3 354.926 2.972 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000663450871 732443715 /nfs/dbraw/zinc/44/37/15/732443715.db2.gz MYJNCZRAHOIFGB-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000663450871 732443718 /nfs/dbraw/zinc/44/37/18/732443718.db2.gz MYJNCZRAHOIFGB-HOTGVXAUSA-N 1 3 350.532 2.669 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000663450872 732443733 /nfs/dbraw/zinc/44/37/33/732443733.db2.gz MYJNCZRAHOIFGB-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000663450872 732443736 /nfs/dbraw/zinc/44/37/36/732443736.db2.gz MYJNCZRAHOIFGB-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926416085 738613201 /nfs/dbraw/zinc/61/32/01/738613201.db2.gz DUROUZVQLXENBU-YOEHRIQHSA-N 1 3 359.436 2.662 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000665761160 732752767 /nfs/dbraw/zinc/75/27/67/732752767.db2.gz ZBEQZVAVZQVXND-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000665761160 732752770 /nfs/dbraw/zinc/75/27/70/732752770.db2.gz ZBEQZVAVZQVXND-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000665762997 732753038 /nfs/dbraw/zinc/75/30/38/732753038.db2.gz WVJNKXHLZZBLAO-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000665762997 732753041 /nfs/dbraw/zinc/75/30/41/732753041.db2.gz WVJNKXHLZZBLAO-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857668 732909361 /nfs/dbraw/zinc/90/93/61/732909361.db2.gz DJBYJIMLDDNGEW-TZMCWYRMSA-N 1 3 354.292 2.898 20 0 FFADHO COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)cc1C ZINC000666986156 732926720 /nfs/dbraw/zinc/92/67/20/732926720.db2.gz VEZRMSFTUMMLCV-INIZCTEOSA-N 1 3 350.507 2.706 20 0 FFADHO COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)cc1C ZINC000666986156 732926723 /nfs/dbraw/zinc/92/67/23/732926723.db2.gz VEZRMSFTUMMLCV-INIZCTEOSA-N 1 3 350.507 2.706 20 0 FFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccccn4)s3)CC2)C1 ZINC000667054047 732937434 /nfs/dbraw/zinc/93/74/34/732937434.db2.gz BNTLLGSBVUWYFH-MAUKXSAKSA-N 1 3 358.511 2.923 20 0 FFADHO Cc1c(Br)cncc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000668158298 733082610 /nfs/dbraw/zinc/08/26/10/733082610.db2.gz OQZIGGFQUOVSHM-UHFFFAOYSA-N 1 3 369.351 2.610 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000668644690 733149082 /nfs/dbraw/zinc/14/90/82/733149082.db2.gz HYRMCDWPHVPXCG-IRXDYDNUSA-N 1 3 364.559 2.962 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]CC[C@@H]2CCCS2(=O)=O)CC1 ZINC000883308141 733366168 /nfs/dbraw/zinc/36/61/68/733366168.db2.gz IVJCCROZLGUVDM-MHJFOBGBSA-N 1 3 364.555 2.987 20 0 FFADHO C[C@H]1C[C@H](NCc2c(Cl)cccc2N2CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000675920453 733821737 /nfs/dbraw/zinc/82/17/37/733821737.db2.gz RLAVSYSAFFBABO-HOTGVXAUSA-N 1 3 362.949 2.807 20 0 FFADHO C[C@H]1C[C@H](NCc2c(Cl)cccc2N2CCN(C)CC2)C[N@H+]1C1CC1 ZINC000675920453 733821741 /nfs/dbraw/zinc/82/17/41/733821741.db2.gz RLAVSYSAFFBABO-HOTGVXAUSA-N 1 3 362.949 2.807 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[NH2+]CCC12CCC2 ZINC000891322659 734414201 /nfs/dbraw/zinc/41/42/01/734414201.db2.gz SIJOGWVRZYSVSE-MRXNPFEDSA-N 1 3 362.543 2.813 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000895682114 735040360 /nfs/dbraw/zinc/04/03/60/735040360.db2.gz ARKBADRZUPBDQL-UHFFFAOYSA-N 1 3 373.950 2.685 20 0 FFADHO [NH3+]CCCC[C@H](NCC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1F ZINC000902404620 735942745 /nfs/dbraw/zinc/94/27/45/735942745.db2.gz XTXNEIXXROOMLU-PBHICJAKSA-N 1 3 360.470 2.692 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cnn(-c3ccc(Cl)cc3)c1)CC2 ZINC000904390607 736248302 /nfs/dbraw/zinc/24/83/02/736248302.db2.gz AWJURHLXZKFACD-SFHVURJKSA-N 1 3 360.889 2.856 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000905087691 736294174 /nfs/dbraw/zinc/29/41/74/736294174.db2.gz GNRCYIVLTPFFPE-AWEZNQCLSA-N 1 3 370.362 2.665 20 0 FFADHO CCN1CCCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000769611238 737546410 /nfs/dbraw/zinc/54/64/10/737546410.db2.gz HPMIOTMQRDTZOI-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO O[C@H](CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000923362914 738275877 /nfs/dbraw/zinc/27/58/77/738275877.db2.gz QRKXGRWFWLKODB-HLLBOEOZSA-N 1 3 353.304 2.804 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923393055 738278702 /nfs/dbraw/zinc/27/87/02/738278702.db2.gz MVPLIDJQICSZDA-ZSGPHXLJSA-N 1 3 356.869 2.873 20 0 FFADHO C[C@@H]1C[N@H+](CCOc2ccc(F)c(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000930136570 739063707 /nfs/dbraw/zinc/06/37/07/739063707.db2.gz NPNZIRHFEDCWEI-DNVCBOLYSA-N 1 3 369.912 2.816 20 0 FFADHO C[C@@H]1C[N@@H+](CCOc2ccc(F)c(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000930136570 739063712 /nfs/dbraw/zinc/06/37/12/739063712.db2.gz NPNZIRHFEDCWEI-DNVCBOLYSA-N 1 3 369.912 2.816 20 0 FFADHO CN1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C[C@]2(C)C1 ZINC000933744607 739684111 /nfs/dbraw/zinc/68/41/11/739684111.db2.gz IBCPNTZGBZJUBT-MRRJBJDNSA-N 1 3 359.297 2.617 20 0 FFADHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C[C@]2(C)C1 ZINC000933744607 739684112 /nfs/dbraw/zinc/68/41/12/739684112.db2.gz IBCPNTZGBZJUBT-MRRJBJDNSA-N 1 3 359.297 2.617 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3c(F)cccc3Cl)C2)CC[N@@H+]1C ZINC000961850567 740639098 /nfs/dbraw/zinc/63/90/98/740639098.db2.gz YINXMFZFMCISOD-XSCHDIRWSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3c(F)cccc3Cl)C2)CC[N@H+]1C ZINC000961850567 740639100 /nfs/dbraw/zinc/63/91/00/740639100.db2.gz YINXMFZFMCISOD-XSCHDIRWSA-N 1 3 367.896 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCCc3ccsc3)CC2)CC[N@@H+]1C ZINC000981200682 741141515 /nfs/dbraw/zinc/14/15/15/741141515.db2.gz YUXMJTVFLDLHBD-RBUKOAKNSA-N 1 3 363.571 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCCc3ccsc3)CC2)CC[N@H+]1C ZINC000981200682 741141518 /nfs/dbraw/zinc/14/15/18/741141518.db2.gz YUXMJTVFLDLHBD-RBUKOAKNSA-N 1 3 363.571 2.945 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cccc(F)c3Cl)C2)CC[N@@H+]1C ZINC000983707776 741252436 /nfs/dbraw/zinc/25/24/36/741252436.db2.gz FIQQPIAVJLZCSW-RRCSTGOVSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cccc(F)c3Cl)C2)CC[N@H+]1C ZINC000983707776 741252439 /nfs/dbraw/zinc/25/24/39/741252439.db2.gz FIQQPIAVJLZCSW-RRCSTGOVSA-N 1 3 367.896 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC000999211263 742056371 /nfs/dbraw/zinc/05/63/71/742056371.db2.gz XRELTYUEWSCRAK-XYJFISCASA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3c(C)nsc3C)C2)CC[N@H+]1C ZINC000999211263 742056374 /nfs/dbraw/zinc/05/63/74/742056374.db2.gz XRELTYUEWSCRAK-XYJFISCASA-N 1 3 364.559 2.571 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC000817285331 742116963 /nfs/dbraw/zinc/11/69/63/742116963.db2.gz ITGUCWPHZXBVEM-HXUWFJFHSA-N 1 3 365.949 2.865 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC000817285331 742116967 /nfs/dbraw/zinc/11/69/67/742116967.db2.gz ITGUCWPHZXBVEM-HXUWFJFHSA-N 1 3 365.949 2.865 20 0 FFADHO CC[NH+]1CCC(N2CCCN(C[C@@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC000817285331 742116972 /nfs/dbraw/zinc/11/69/72/742116972.db2.gz ITGUCWPHZXBVEM-HXUWFJFHSA-N 1 3 365.949 2.865 20 0 FFADHO O[C@@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000817929414 742222837 /nfs/dbraw/zinc/22/28/37/742222837.db2.gz HFICEVHRTZKRIC-TWMKSMIVSA-N 1 3 353.304 2.993 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000830131700 745312771 /nfs/dbraw/zinc/31/27/71/745312771.db2.gz ZPEQFOCFIWAEPV-IAGOWNOFSA-N 1 3 364.921 2.910 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc(Cl)n1 ZINC000831230113 745502714 /nfs/dbraw/zinc/50/27/14/745502714.db2.gz DORBFWHUDXTABK-HOCLYGCPSA-N 1 3 352.910 2.527 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc(Cl)n1 ZINC000831230113 745502719 /nfs/dbraw/zinc/50/27/19/745502719.db2.gz DORBFWHUDXTABK-HOCLYGCPSA-N 1 3 352.910 2.527 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000831412082 745525981 /nfs/dbraw/zinc/52/59/81/745525981.db2.gz POWNTKJWNFSEOB-INIZCTEOSA-N 1 3 357.420 2.723 20 0 FFADHO [NH3+]C1CCC(NCc2c(F)ccc(I)c2F)CC1 ZINC000843104179 747771835 /nfs/dbraw/zinc/77/18/35/747771835.db2.gz GYXVCYHZJXQGQL-UHFFFAOYSA-N 1 3 366.193 2.929 20 0 FFADHO [NH3+]CCCCCCCN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000844222125 747990139 /nfs/dbraw/zinc/99/01/39/747990139.db2.gz VVZUROJPCPQDGN-LJQANCHMSA-N 1 3 353.938 2.900 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000849064194 749044153 /nfs/dbraw/zinc/04/41/53/749044153.db2.gz DZINASLGOZUSQJ-CRAIPNDOSA-N 1 3 363.937 2.765 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000849064197 749044550 /nfs/dbraw/zinc/04/45/50/749044550.db2.gz DZINASLGOZUSQJ-YJBOKZPZSA-N 1 3 363.937 2.765 20 0 FFADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000850362755 749352979 /nfs/dbraw/zinc/35/29/79/749352979.db2.gz RYTMAZWXSYLWFH-SJORKVTESA-N 1 3 357.420 2.993 20 0 FFADHO Cc1csc(CNCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n1 ZINC001104923867 971164167 /nfs/dbraw/zinc/16/41/67/971164167.db2.gz AICGWYRCDLWOSR-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO CC[N@H+](CCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1)CC1CC1 ZINC000660168581 971413398 /nfs/dbraw/zinc/41/33/98/971413398.db2.gz TVZOLYVPILBLBB-UHFFFAOYSA-N 1 3 362.566 2.805 20 0 FFADHO CC[N@@H+](CCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1)CC1CC1 ZINC000660168581 971413401 /nfs/dbraw/zinc/41/34/01/971413401.db2.gz TVZOLYVPILBLBB-UHFFFAOYSA-N 1 3 362.566 2.805 20 0 FFADHO Cc1nc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)sc1C ZINC001105064369 971437335 /nfs/dbraw/zinc/43/73/35/971437335.db2.gz LLMYMTUJYCHWOH-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000136573471 971545140 /nfs/dbraw/zinc/54/51/40/971545140.db2.gz AEXGBFZPNKFKET-ROUUACIJSA-N 1 3 358.486 2.836 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896744745 971687622 /nfs/dbraw/zinc/68/76/22/971687622.db2.gz DEENASRSNVWBER-XLIONFOSSA-N 1 3 361.530 2.925 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896744745 971687624 /nfs/dbraw/zinc/68/76/24/971687624.db2.gz DEENASRSNVWBER-XLIONFOSSA-N 1 3 361.530 2.925 20 0 FFADHO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1(CN(C)C)CCCC1 ZINC001275860291 1013106722 /nfs/dbraw/zinc/10/67/22/1013106722.db2.gz UIGONXHSKWVKSO-NRFANRHFSA-N 1 3 365.562 2.602 20 0 FFADHO CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1(CN(C)C)CCCC1 ZINC001275860291 1013106738 /nfs/dbraw/zinc/10/67/38/1013106738.db2.gz UIGONXHSKWVKSO-NRFANRHFSA-N 1 3 365.562 2.602 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)CC[C@@H]2C1)N(C)C ZINC001088010769 971843942 /nfs/dbraw/zinc/84/39/42/971843942.db2.gz JQBIRXFWHCSQGC-QHAWAJNXSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)CC[C@@H]2C1)N(C)C ZINC001088010769 971843950 /nfs/dbraw/zinc/84/39/50/971843950.db2.gz JQBIRXFWHCSQGC-QHAWAJNXSA-N 1 3 357.542 2.924 20 0 FFADHO c1c([C@H]2CNCCO2)cn2c1cccc2-c1cccc(N2CC[NH2+]CC2)c1 ZINC001205922457 1032067661 /nfs/dbraw/zinc/06/76/61/1032067661.db2.gz MUUYCCGQLVIZOZ-JOCHJYFZSA-N 1 3 362.477 2.677 20 0 FFADHO Cc1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000660575463 972261195 /nfs/dbraw/zinc/26/11/95/972261195.db2.gz VBARAIQYFIRRBR-UHFFFAOYSA-N 1 3 372.557 2.704 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000654729428 958850681 /nfs/dbraw/zinc/85/06/81/958850681.db2.gz GJURJPYTGDCAJR-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000654729428 958850702 /nfs/dbraw/zinc/85/07/02/958850702.db2.gz GJURJPYTGDCAJR-HBMCJLEFSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1cccc3ccccc31)C2 ZINC000660656381 972457977 /nfs/dbraw/zinc/45/79/77/972457977.db2.gz REUHDJCJROKUQG-KNQAVFIVSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1cccc3ccccc31)C2 ZINC000660656381 972457983 /nfs/dbraw/zinc/45/79/83/972457983.db2.gz REUHDJCJROKUQG-KNQAVFIVSA-N 1 3 354.494 2.997 20 0 FFADHO CCN(CC)[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000655688091 961071851 /nfs/dbraw/zinc/07/18/51/961071851.db2.gz KIDFNHHVFMJHTG-FCHUYYIVSA-N 1 3 359.558 2.782 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802890 961362688 /nfs/dbraw/zinc/36/26/88/961362688.db2.gz QGFRFDAIRZANJS-JXDTVZCFSA-N 1 3 359.558 2.984 20 0 FFADHO COc1ccc(C(C)C)cc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000655938119 961763415 /nfs/dbraw/zinc/76/34/15/961763415.db2.gz NIRRIDXDOOKMOX-FXAWDEMLSA-N 1 3 373.541 2.899 20 0 FFADHO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H](N)c3cccc(Cl)c3)c2)CC1 ZINC000649351790 1013369565 /nfs/dbraw/zinc/36/95/65/1013369565.db2.gz SDFMDZQMFOHQES-IBGZPJMESA-N 1 3 372.900 2.726 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C4(CCC4)C3)cc2)CC1 ZINC000649370455 1013382206 /nfs/dbraw/zinc/38/22/06/1013382206.db2.gz OYQMJVSJBNEPBD-IBGZPJMESA-N 1 3 370.541 2.622 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001087134841 963081965 /nfs/dbraw/zinc/08/19/65/963081965.db2.gz IBXHNUMSZDQMAS-KPFFTGBYSA-N 1 3 361.505 2.945 20 0 FFADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218630 1013432820 /nfs/dbraw/zinc/43/28/20/1013432820.db2.gz MAGVADAMCHAZNA-HNNXBMFYSA-N 1 3 353.445 2.976 20 0 FFADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000873224058 1013433628 /nfs/dbraw/zinc/43/36/28/1013433628.db2.gz XAULRJATOYFNLF-QFIPXVFZSA-N 1 3 373.541 2.789 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000389868310 963794813 /nfs/dbraw/zinc/79/48/13/963794813.db2.gz IANYKEIRXNTCMT-PXNSSMCTSA-N 1 3 366.509 2.663 20 0 FFADHO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC000873246921 1013447239 /nfs/dbraw/zinc/44/72/39/1013447239.db2.gz DNDBFEZGYWQNPJ-OAHLLOKOSA-N 1 3 351.454 2.976 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](CNCc2ccccn2)C1 ZINC001087177107 965203684 /nfs/dbraw/zinc/20/36/84/965203684.db2.gz IEBJFPAZJIMFAR-HOJAQTOUSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](CNCc2ccccn2)C1 ZINC001087177107 965203693 /nfs/dbraw/zinc/20/36/93/965203693.db2.gz IEBJFPAZJIMFAR-HOJAQTOUSA-N 1 3 358.530 2.673 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001087182006 965305272 /nfs/dbraw/zinc/30/52/72/965305272.db2.gz VIPPBLSBKDJKTG-HYVNUMGLSA-N 1 3 366.937 2.792 20 0 FFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001266944884 965354031 /nfs/dbraw/zinc/35/40/31/965354031.db2.gz SUPYIUBKQHISQO-LJHODMEESA-N 1 3 365.468 2.614 20 0 FFADHO CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190822 1013587085 /nfs/dbraw/zinc/58/70/85/1013587085.db2.gz SNFSBRJHLMFTJI-AABGKKOBSA-N 1 3 365.562 2.791 20 0 FFADHO Fc1ccc(N2CCOCC2)c(CNCc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657373404 966336671 /nfs/dbraw/zinc/33/66/71/966336671.db2.gz VCNXLUHHSJFILG-UHFFFAOYSA-N 1 3 367.428 2.533 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001267103912 966369304 /nfs/dbraw/zinc/36/93/04/966369304.db2.gz IMDWALPMXGYYBH-SRDLOIQWSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C/C=C/c3ccccc3)C2)CC[N@H+]1C ZINC001267103912 966369312 /nfs/dbraw/zinc/36/93/12/966369312.db2.gz IMDWALPMXGYYBH-SRDLOIQWSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc(CN2CCOCC2)cc1 ZINC001176281009 1013663953 /nfs/dbraw/zinc/66/39/53/1013663953.db2.gz HECPZAZLLQSFPU-LJQANCHMSA-N 1 3 366.509 2.625 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001087213928 966621536 /nfs/dbraw/zinc/62/15/36/966621536.db2.gz VIPPBLSBKDJKTG-PVAVHDDUSA-N 1 3 366.937 2.792 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001087219998 966751075 /nfs/dbraw/zinc/75/10/75/966751075.db2.gz ZTKXNMDIFNGQOL-PBHICJAKSA-N 1 3 368.472 2.994 20 0 FFADHO COc1cc(C)c(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)n1 ZINC000657597564 966946122 /nfs/dbraw/zinc/94/61/22/966946122.db2.gz UTDCEFBGHSHMHM-LJQANCHMSA-N 1 3 355.482 2.563 20 0 FFADHO COc1cc(C)c(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)n1 ZINC000657597564 966946125 /nfs/dbraw/zinc/94/61/25/966946125.db2.gz UTDCEFBGHSHMHM-LJQANCHMSA-N 1 3 355.482 2.563 20 0 FFADHO c1ncn(-c2ccccc2C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1 ZINC000657612806 966958849 /nfs/dbraw/zinc/95/88/49/966958849.db2.gz SDIUYOSUGBEHOH-UHFFFAOYSA-N 1 3 362.481 2.664 20 0 FFADHO c1ccc(N2CCN(CC3(N[C@@H]4CC[N@@H+]5CCC[C@@H]5C4)CC3)CC2)cc1 ZINC000657705003 967111986 /nfs/dbraw/zinc/11/19/86/967111986.db2.gz VXGLGSKGDOYNSD-TZIWHRDSSA-N 1 3 354.542 2.558 20 0 FFADHO c1ccc(N2CCN(CC3(N[C@@H]4CC[N@H+]5CCC[C@@H]5C4)CC3)CC2)cc1 ZINC000657705003 967111988 /nfs/dbraw/zinc/11/19/88/967111988.db2.gz VXGLGSKGDOYNSD-TZIWHRDSSA-N 1 3 354.542 2.558 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001075784888 967314574 /nfs/dbraw/zinc/31/45/74/967314574.db2.gz KGXJXCIYDDPQCT-XUVXKRRUSA-N 1 3 359.558 2.972 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001075784888 967314581 /nfs/dbraw/zinc/31/45/81/967314581.db2.gz KGXJXCIYDDPQCT-XUVXKRRUSA-N 1 3 359.558 2.972 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001075784887 967315207 /nfs/dbraw/zinc/31/52/07/967315207.db2.gz KGXJXCIYDDPQCT-SLFFLAALSA-N 1 3 359.558 2.972 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001075784887 967315213 /nfs/dbraw/zinc/31/52/13/967315213.db2.gz KGXJXCIYDDPQCT-SLFFLAALSA-N 1 3 359.558 2.972 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cnc(C)s2)CC(C)C)CC[N@@H+]1C ZINC001482384563 967436894 /nfs/dbraw/zinc/43/68/94/967436894.db2.gz SWCHFLLHWLMVBV-BPQIPLTHSA-N 1 3 366.575 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cnc(C)s2)CC(C)C)CC[N@H+]1C ZINC001482384563 967436902 /nfs/dbraw/zinc/43/69/02/967436902.db2.gz SWCHFLLHWLMVBV-BPQIPLTHSA-N 1 3 366.575 2.802 20 0 FFADHO CCN1CCN(c2ccc(Nc3cnn(CC[NH+]4CCCC4)c3)cc2)CC1 ZINC001176558951 1013731367 /nfs/dbraw/zinc/73/13/67/1013731367.db2.gz LPYLALRNLZSXIZ-UHFFFAOYSA-N 1 3 368.529 2.864 20 0 FFADHO c1ccc([C@H]2CC[NH2+]C[C@H]2NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000665250669 967846634 /nfs/dbraw/zinc/84/66/34/967846634.db2.gz YXTVDVLAAYAOCC-FGZHOGPDSA-N 1 3 350.510 2.781 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1Cc1cnc(C)s1 ZINC001087642221 968454369 /nfs/dbraw/zinc/45/43/69/968454369.db2.gz BHCIAUNNVYFZQG-ZWKOTPCHSA-N 1 3 369.494 2.882 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892496024 969150959 /nfs/dbraw/zinc/15/09/59/969150959.db2.gz ITICVQHGSDFSAI-SFHVURJKSA-N 1 3 364.509 2.677 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892516950 969330510 /nfs/dbraw/zinc/33/05/10/969330510.db2.gz SIDSEIGYILNYFE-IRXDYDNUSA-N 1 3 369.550 2.769 20 0 FFADHO COc1cccc(-c2csc(CNC3CCN(CC[NH+](C)C)CC3)n2)c1 ZINC000892545511 969459126 /nfs/dbraw/zinc/45/91/26/969459126.db2.gz ODZDEAPLZRYUTD-UHFFFAOYSA-N 1 3 374.554 2.934 20 0 FFADHO CN1CC[N@H+](CCCNCc2nccn2C2CC2)[C@@H](c2ccccc2)C1 ZINC000892553555 969475248 /nfs/dbraw/zinc/47/52/48/969475248.db2.gz PQCQZINYDOVSID-HXUWFJFHSA-N 1 3 353.514 2.686 20 0 FFADHO CN1CC[N@@H+](CCCNCc2nccn2C2CC2)[C@@H](c2ccccc2)C1 ZINC000892553555 969475256 /nfs/dbraw/zinc/47/52/56/969475256.db2.gz PQCQZINYDOVSID-HXUWFJFHSA-N 1 3 353.514 2.686 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[C@H](C)C1 ZINC000659040082 969654375 /nfs/dbraw/zinc/65/43/75/969654375.db2.gz MMZCZENQDMHTOZ-AYOQOUSVSA-N 1 3 360.502 2.542 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)[C@H](C)C1 ZINC000659040082 969654376 /nfs/dbraw/zinc/65/43/76/969654376.db2.gz MMZCZENQDMHTOZ-AYOQOUSVSA-N 1 3 360.502 2.542 20 0 FFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000659353705 969855916 /nfs/dbraw/zinc/85/59/16/969855916.db2.gz RXWNESNVGBMTAO-ACRUOGEOSA-N 1 3 367.493 2.737 20 0 FFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cc21 ZINC000659363805 969869322 /nfs/dbraw/zinc/86/93/22/969869322.db2.gz AIHXMXKKRXJVGP-WIYYLYMNSA-N 1 3 365.477 2.978 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000659426912 969917469 /nfs/dbraw/zinc/91/74/69/969917469.db2.gz GZPBGFNOWZZWEH-LEWJYISDSA-N 1 3 372.557 2.581 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNCc1cc(O)ccc1Cl ZINC001104625425 969955807 /nfs/dbraw/zinc/95/58/07/969955807.db2.gz MAFQCYRZEBFNPW-HUUCEWRRSA-N 1 3 367.921 2.572 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659590222 970056101 /nfs/dbraw/zinc/05/61/01/970056101.db2.gz FOZGLRZUXHPQQE-RTBURBONSA-N 1 3 364.509 2.500 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2ocnc2C)C1)[NH+](CC)CC ZINC001104666998 970067706 /nfs/dbraw/zinc/06/77/06/970067706.db2.gz XZWXYZDWOXYGDM-NXHRZFHOSA-N 1 3 364.534 2.678 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001104681681 970093518 /nfs/dbraw/zinc/09/35/18/970093518.db2.gz NCDLQSKMWSFVQN-RCCFBDPRSA-N 1 3 363.571 2.707 20 0 FFADHO CCc1ccccc1CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729116 970181559 /nfs/dbraw/zinc/18/15/59/970181559.db2.gz OQNKOYGAOGEVBW-YLJYHZDGSA-N 1 3 368.525 2.832 20 0 FFADHO CCc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001104729663 970182079 /nfs/dbraw/zinc/18/20/79/970182079.db2.gz ZAAORJMOSFWSQR-VQIMIIECSA-N 1 3 354.498 2.789 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC1CCC(F)(F)CC1 ZINC001104728948 970182145 /nfs/dbraw/zinc/18/21/45/970182145.db2.gz JDZCOOIDLZSVDI-GDBMZVCRSA-N 1 3 368.472 2.852 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1)[NH+](C)C ZINC001088095649 972738334 /nfs/dbraw/zinc/73/83/34/972738334.db2.gz ZWUTYYDXBMNRKT-IMFGXOCKSA-N 1 3 361.505 2.692 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C/C=C\c4ccccc4)CC[C@@H]3C2)C1 ZINC001088106423 972808615 /nfs/dbraw/zinc/80/86/15/972808615.db2.gz ZGHHWHMLXFYUAQ-MRKDRPIQSA-N 1 3 367.537 2.822 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C/C=C\c4ccccc4)CC[C@@H]3C2)C1 ZINC001088106423 972808630 /nfs/dbraw/zinc/80/86/30/972808630.db2.gz ZGHHWHMLXFYUAQ-MRKDRPIQSA-N 1 3 367.537 2.822 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106307 972810272 /nfs/dbraw/zinc/81/02/72/972810272.db2.gz VFIKUDWPSVUYHU-UIFIKXQLSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106307 972810283 /nfs/dbraw/zinc/81/02/83/972810283.db2.gz VFIKUDWPSVUYHU-UIFIKXQLSA-N 1 3 369.553 2.926 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)CC[C@@H]2C1)N(C)C ZINC001088109619 972838253 /nfs/dbraw/zinc/83/82/53/972838253.db2.gz OOWVRAOQPYFLAN-GIVPXCGWSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ccc3C)CC[C@@H]2C1)N(C)C ZINC001088109619 972838266 /nfs/dbraw/zinc/83/82/66/972838266.db2.gz OOWVRAOQPYFLAN-GIVPXCGWSA-N 1 3 357.542 2.924 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CCCCC4)CC[C@@H]3C2)CC1 ZINC001088150479 973172342 /nfs/dbraw/zinc/17/23/42/973172342.db2.gz FNPALAFUYYYMIZ-RTWAWAEBSA-N 1 3 359.558 2.999 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4=CCCCC4)CC[C@@H]3C2)CC1 ZINC001088150479 973172349 /nfs/dbraw/zinc/17/23/49/973172349.db2.gz FNPALAFUYYYMIZ-RTWAWAEBSA-N 1 3 359.558 2.999 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncccc3C)CC[C@@H]2C1 ZINC001088212711 973680190 /nfs/dbraw/zinc/68/01/90/973680190.db2.gz JKFWZSMGFSUQOR-SVFBPWRDSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncccc3C)CC[C@@H]2C1 ZINC001088212711 973680193 /nfs/dbraw/zinc/68/01/93/973680193.db2.gz JKFWZSMGFSUQOR-SVFBPWRDSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(c2ccccc2)CC1 ZINC000665637802 973784461 /nfs/dbraw/zinc/78/44/61/973784461.db2.gz PISXHPZQIPEXAD-SFHVURJKSA-N 1 3 360.546 2.848 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(c2ccccc2)CC1 ZINC000665637802 973784471 /nfs/dbraw/zinc/78/44/71/973784471.db2.gz PISXHPZQIPEXAD-SFHVURJKSA-N 1 3 360.546 2.848 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662788767 974075698 /nfs/dbraw/zinc/07/56/98/974075698.db2.gz UDTYHOSRAMIWEB-UHFFFAOYSA-N 1 3 362.518 2.726 20 0 FFADHO Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000665761184 974094771 /nfs/dbraw/zinc/09/47/71/974094771.db2.gz ZWILYKKAECWVRE-HKUYNNGSSA-N 1 3 361.534 2.509 20 0 FFADHO Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000665761184 974094780 /nfs/dbraw/zinc/09/47/80/974094780.db2.gz ZWILYKKAECWVRE-HKUYNNGSSA-N 1 3 361.534 2.509 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 ZINC000661664885 974642544 /nfs/dbraw/zinc/64/25/44/974642544.db2.gz HETYFIVFMPGBQL-FCHUYYIVSA-N 1 3 359.558 2.501 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 ZINC000661664885 974642545 /nfs/dbraw/zinc/64/25/45/974642545.db2.gz HETYFIVFMPGBQL-FCHUYYIVSA-N 1 3 359.558 2.501 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)c(C)c2)CC1 ZINC000653124403 1014233451 /nfs/dbraw/zinc/23/34/51/1014233451.db2.gz XWFULMZDCJDVDK-VQTJNVASSA-N 1 3 356.514 2.606 20 0 FFADHO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000653148728 1014237446 /nfs/dbraw/zinc/23/74/46/1014237446.db2.gz JIPCNJFEESNRHF-SFTDATJTSA-N 1 3 355.526 2.684 20 0 FFADHO C[C@@H]1Cc2cc(C[NH+]3CCC(C)(CN4CCN(C)CC4)CC3)ccc2O1 ZINC000893565073 975410628 /nfs/dbraw/zinc/41/06/28/975410628.db2.gz WYVDTNXCBSAQDC-GOSISDBHSA-N 1 3 357.542 2.860 20 0 FFADHO C[C@@H]1CCCN(CC(=O)Nc2ccccc2N2CCCC2=O)[C@@H]1CCC[NH3+] ZINC000662313211 975423459 /nfs/dbraw/zinc/42/34/59/975423459.db2.gz GWDBYZGYFKVOQU-SJLPKXTDSA-N 1 3 372.513 2.591 20 0 FFADHO CCc1ccc([C@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)N(C)C)cc1 ZINC000662348418 975454449 /nfs/dbraw/zinc/45/44/49/975454449.db2.gz VGCIUHRUQOKDCX-IBGZPJMESA-N 1 3 370.497 2.737 20 0 FFADHO CC[C@@H](F)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530128 975487919 /nfs/dbraw/zinc/48/79/19/975487919.db2.gz FJFAZSYEIJPBDW-QKLQHJQFSA-N 1 3 353.526 2.685 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662436745 975537743 /nfs/dbraw/zinc/53/77/43/975537743.db2.gz GQBUPJUAWUDBGK-NRFANRHFSA-N 1 3 369.509 2.592 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662436745 975537748 /nfs/dbraw/zinc/53/77/48/975537748.db2.gz GQBUPJUAWUDBGK-NRFANRHFSA-N 1 3 369.509 2.592 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000760562448 975547837 /nfs/dbraw/zinc/54/78/37/975547837.db2.gz QBJZFRWSWIEPCY-OAQYLSRUSA-N 1 3 373.541 2.660 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001027891729 975722230 /nfs/dbraw/zinc/72/22/30/975722230.db2.gz GOMGLQMWRZJTBO-MAODMQOUSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001027891729 975722238 /nfs/dbraw/zinc/72/22/38/975722238.db2.gz GOMGLQMWRZJTBO-MAODMQOUSA-N 1 3 355.526 2.596 20 0 FFADHO CN(C)Cc1nc(CSCC[NH2+]C2CCN(CC3CC3)CC2)cs1 ZINC001168358273 975743012 /nfs/dbraw/zinc/74/30/12/975743012.db2.gz OZSWLWDFEVNQFX-UHFFFAOYSA-N 1 3 368.616 2.902 20 0 FFADHO [NH3+][C@@H](CCC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000662636820 975779331 /nfs/dbraw/zinc/77/93/31/975779331.db2.gz DHUOYIJJJTXJSM-NRFANRHFSA-N 1 3 366.509 2.890 20 0 FFADHO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1(NC2CC2)CCC1 ZINC000662708817 975849091 /nfs/dbraw/zinc/84/90/91/975849091.db2.gz USCZUPHBKPSUOX-UHFFFAOYSA-N 1 3 357.498 2.504 20 0 FFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CCN([C@@H]4CCOC4)CC3)ccc21 ZINC000667196103 975929478 /nfs/dbraw/zinc/92/94/78/975929478.db2.gz OSUOEFQTICJTMY-QUCCMNQESA-N 1 3 372.513 2.610 20 0 FFADHO Fc1ccc(/C=C/CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC000663512529 976093439 /nfs/dbraw/zinc/09/34/39/976093439.db2.gz OCKAXEMGPNNRBU-FVIAUOKHSA-N 1 3 369.488 2.851 20 0 FFADHO Fc1ccc(/C=C/CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC000663512532 976093692 /nfs/dbraw/zinc/09/36/92/976093692.db2.gz OCKAXEMGPNNRBU-ZDBPOJEVSA-N 1 3 369.488 2.851 20 0 FFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000667337895 976130998 /nfs/dbraw/zinc/13/09/98/976130998.db2.gz OVUQYWMXPHEMMZ-UHFFFAOYSA-N 1 3 362.562 2.768 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167835268 976405391 /nfs/dbraw/zinc/40/53/91/976405391.db2.gz QJWVLIZFOCHHPK-IXDOHACOSA-N 1 3 357.539 2.721 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000898579465 976548983 /nfs/dbraw/zinc/54/89/83/976548983.db2.gz RSVCFUIMDQVMSF-APWZRJJASA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000898579465 976548989 /nfs/dbraw/zinc/54/89/89/976548989.db2.gz RSVCFUIMDQVMSF-APWZRJJASA-N 1 3 361.530 2.971 20 0 FFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001142590261 976667029 /nfs/dbraw/zinc/66/70/29/976667029.db2.gz OVGSWZGFHMHALF-UHFFFAOYSA-N 1 3 356.514 2.631 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ncccc2C)CC3)CC[N@@H+]1C ZINC000990759568 976932025 /nfs/dbraw/zinc/93/20/25/976932025.db2.gz DABUVIDWWICKCM-ZJDLJICXSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ncccc2C)CC3)CC[N@H+]1C ZINC000990759568 976932033 /nfs/dbraw/zinc/93/20/33/976932033.db2.gz DABUVIDWWICKCM-ZJDLJICXSA-N 1 3 370.541 2.734 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000667798489 977056946 /nfs/dbraw/zinc/05/69/46/977056946.db2.gz CNAOSEAFRLNQSH-UHFFFAOYSA-N 1 3 357.502 2.646 20 0 FFADHO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)Nc1cnc2c(c1)CNCC2 ZINC000667802202 977060133 /nfs/dbraw/zinc/06/01/33/977060133.db2.gz IVCUVDRRMMYQFR-UHFFFAOYSA-N 1 3 371.529 2.895 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2cc(F)ccc2F)C(C)C)CC[N@@H+]1C ZINC001268212610 977153110 /nfs/dbraw/zinc/15/31/10/977153110.db2.gz KKGOFTHGFISTEI-QXAKKESOSA-N 1 3 367.484 2.926 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2cc(F)ccc2F)C(C)C)CC[N@H+]1C ZINC001268212610 977153114 /nfs/dbraw/zinc/15/31/14/977153114.db2.gz KKGOFTHGFISTEI-QXAKKESOSA-N 1 3 367.484 2.926 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001087455608 977775541 /nfs/dbraw/zinc/77/55/41/977775541.db2.gz CLSMWQBYOJLLBA-HUYLIWGRSA-N 1 3 361.505 2.850 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087455608 977775544 /nfs/dbraw/zinc/77/55/44/977775544.db2.gz CLSMWQBYOJLLBA-HUYLIWGRSA-N 1 3 361.505 2.850 20 0 FFADHO CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664127701 978051021 /nfs/dbraw/zinc/05/10/21/978051021.db2.gz WDFKNQAQGGFREW-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000664127701 978051028 /nfs/dbraw/zinc/05/10/28/978051028.db2.gz WDFKNQAQGGFREW-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H](C4CC4)[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001076086241 979094579 /nfs/dbraw/zinc/09/45/79/979094579.db2.gz UXRLDZULMDZGEV-BDTNDASRSA-N 1 3 367.537 2.902 20 0 FFADHO CCCc1ccc(CN2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001076467938 979524792 /nfs/dbraw/zinc/52/47/92/979524792.db2.gz WGMFCJFKDFOQOF-LEWJYISDSA-N 1 3 367.537 2.768 20 0 FFADHO CC(C)C[C@@](C)(C[NH3+])c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000904673803 980325653 /nfs/dbraw/zinc/32/56/53/980325653.db2.gz SEHLNVJSDJEPBP-FQEVSTJZSA-N 1 3 372.517 2.536 20 0 FFADHO COCCN(Cc1ccc(OC)c(OC)c1OC)CC1CC[NH+](C)CC1 ZINC000877665360 1014667450 /nfs/dbraw/zinc/66/74/50/1014667450.db2.gz SFAXZWZLQBHNHM-UHFFFAOYSA-N 1 3 366.502 2.503 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)CC1 ZINC000877747456 1014706653 /nfs/dbraw/zinc/70/66/53/1014706653.db2.gz MCSTULARKISWEE-UHFFFAOYSA-N 1 3 371.447 2.840 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCC3=CC[NH2+]CC3)c(C)c2)CC1 ZINC000666676666 981207036 /nfs/dbraw/zinc/20/70/36/981207036.db2.gz PBGBPWHNGJTHDM-UHFFFAOYSA-N 1 3 371.529 2.568 20 0 FFADHO CC(C)CN(Cc1cn(Cc2cccnc2)nn1)CC1CC[NH+](C)CC1 ZINC000877767727 1014721163 /nfs/dbraw/zinc/72/11/63/1014721163.db2.gz VFEHRPNUTXQQLW-UHFFFAOYSA-N 1 3 356.518 2.521 20 0 FFADHO CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)CC1 ZINC001272091493 981413322 /nfs/dbraw/zinc/41/33/22/981413322.db2.gz VKZFEWXWSAJDQL-JKSUJKDBSA-N 1 3 361.452 2.594 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([N@H+]1CCc3ncc(CN4CCCC4)n3CC1)C2 ZINC001168270772 981561120 /nfs/dbraw/zinc/56/11/20/981561120.db2.gz FKGDCBJCNRLLNA-IBGZPJMESA-N 1 3 366.509 2.513 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCc3ncc(CN4CCCC4)n3CC1)C2 ZINC001168270772 981561125 /nfs/dbraw/zinc/56/11/25/981561125.db2.gz FKGDCBJCNRLLNA-IBGZPJMESA-N 1 3 366.509 2.513 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897545532 982117324 /nfs/dbraw/zinc/11/73/24/982117324.db2.gz PSXODZAMKNTSRK-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897545532 982117331 /nfs/dbraw/zinc/11/73/31/982117331.db2.gz PSXODZAMKNTSRK-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO C[NH+](C)C1CCC(N2CCO[C@]3(CCCN(c4cccnc4)C3)C2)CC1 ZINC001168319289 982869053 /nfs/dbraw/zinc/86/90/53/982869053.db2.gz QTCBXEJMQQBJFH-GRERDSQWSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)CCN1c1cc[nH+]cc1 ZINC000878183050 1014903193 /nfs/dbraw/zinc/90/31/93/1014903193.db2.gz VUELUXWPXSWHIC-MRXNPFEDSA-N 1 3 353.470 2.886 20 0 FFADHO c1cncc(-c2ncnc3c2CC[N@H+](C2CCN(CC4CC4)CC2)CC3)c1 ZINC001168377655 984317088 /nfs/dbraw/zinc/31/70/88/984317088.db2.gz LCCKAMINJYVYFD-UHFFFAOYSA-N 1 3 363.509 2.814 20 0 FFADHO c1cncc(-c2ncnc3c2CC[N@@H+](C2CCN(CC4CC4)CC2)CC3)c1 ZINC001168377655 984317095 /nfs/dbraw/zinc/31/70/95/984317095.db2.gz LCCKAMINJYVYFD-UHFFFAOYSA-N 1 3 363.509 2.814 20 0 FFADHO O=C1Nc2c(cccc2F)C12CC[NH+](C1CCN(CC3CC3)CC1)CC2 ZINC001168379607 984361215 /nfs/dbraw/zinc/36/12/15/984361215.db2.gz MPOPSGBITSPDDZ-UHFFFAOYSA-N 1 3 357.473 2.986 20 0 FFADHO CC(C)OCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402965 984509082 /nfs/dbraw/zinc/50/90/82/984509082.db2.gz VTBLPFCOCAZWEN-SFHLNBCPSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)OCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001107402965 984509083 /nfs/dbraw/zinc/50/90/83/984509083.db2.gz VTBLPFCOCAZWEN-SFHLNBCPSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCOC)CC2)N(C)C ZINC001107450083 984551580 /nfs/dbraw/zinc/55/15/80/984551580.db2.gz BIUHDSCXHGCIQM-QWFCFKBJSA-N 1 3 353.551 2.504 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCOC)CC2)N(C)C ZINC001107450083 984551586 /nfs/dbraw/zinc/55/15/86/984551586.db2.gz BIUHDSCXHGCIQM-QWFCFKBJSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H](NCC1(C[NH+](C)C)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000760897470 984566520 /nfs/dbraw/zinc/56/65/20/984566520.db2.gz MKOHBYZXYHHPIP-CTNGQTDRSA-N 1 3 359.558 2.988 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669484030 984650120 /nfs/dbraw/zinc/65/01/20/984650120.db2.gz ZDIIOYWIVXATCY-AABGKKOBSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)N1CCCCCC1 ZINC001107567215 984711755 /nfs/dbraw/zinc/71/17/55/984711755.db2.gz NZVOTIGGQYAASL-NLWGTHIKSA-N 1 3 353.526 2.971 20 0 FFADHO C[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)N1CCCCCC1 ZINC001107567215 984711761 /nfs/dbraw/zinc/71/17/61/984711761.db2.gz NZVOTIGGQYAASL-NLWGTHIKSA-N 1 3 353.526 2.971 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC[C@@H]1CCOC1)CC2 ZINC001107617714 984841660 /nfs/dbraw/zinc/84/16/60/984841660.db2.gz PKQJNTKDPFSSDW-SFHLNBCPSA-N 1 3 365.562 2.506 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC[C@@H]1CCOC1)CC2 ZINC001107617714 984841677 /nfs/dbraw/zinc/84/16/77/984841677.db2.gz PKQJNTKDPFSSDW-SFHLNBCPSA-N 1 3 365.562 2.506 20 0 FFADHO C[C@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H](c1ccccc1)N(C)C ZINC000669583358 984850277 /nfs/dbraw/zinc/85/02/77/984850277.db2.gz MXHZBVIAPWGVMU-YWZLYKJASA-N 1 3 352.482 2.780 20 0 FFADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000765426596 985084907 /nfs/dbraw/zinc/08/49/07/985084907.db2.gz NOHUTTIPEDGGBV-PGRDOPGGSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000669691392 985169838 /nfs/dbraw/zinc/16/98/38/985169838.db2.gz DZLMWSYXSDYGNM-NRFANRHFSA-N 1 3 355.530 2.630 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc2c(c1)CCC2 ZINC001088980882 985733605 /nfs/dbraw/zinc/73/36/05/985733605.db2.gz VKSGNRGVMNWXII-BLIXFSHQSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2c(c1)CCC2 ZINC001088980882 985733613 /nfs/dbraw/zinc/73/36/13/985733613.db2.gz VKSGNRGVMNWXII-BLIXFSHQSA-N 1 3 355.526 2.596 20 0 FFADHO COc1ccc([C@H]2C[C@H]([NH2+]CCN3CCN(C(C)C)CC3)CCO2)cc1 ZINC001168599196 985763317 /nfs/dbraw/zinc/76/33/17/985763317.db2.gz YMOJWJASEFBCFI-TZIWHRDSSA-N 1 3 361.530 2.531 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406243 986185978 /nfs/dbraw/zinc/18/59/78/986185978.db2.gz MGJMDJAYMRWFRC-HSALFYBXSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406243 986185984 /nfs/dbraw/zinc/18/59/84/986185984.db2.gz MGJMDJAYMRWFRC-HSALFYBXSA-N 1 3 365.562 2.789 20 0 FFADHO O=C(c1ccc(F)cc1)[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733444 986831930 /nfs/dbraw/zinc/83/19/30/986831930.db2.gz KIJCEGUOVIBHNW-PKOBYXMFSA-N 1 3 360.473 2.879 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000672602868 987503695 /nfs/dbraw/zinc/50/36/95/987503695.db2.gz KAYDFNWYHALKMG-KURKYZTESA-N 1 3 357.502 2.807 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672884203 987647869 /nfs/dbraw/zinc/64/78/69/987647869.db2.gz OIRMCAJEGFRFET-SQGPQFPESA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000672942824 987685717 /nfs/dbraw/zinc/68/57/17/987685717.db2.gz LRJHHCSYUOTPBK-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001106256021 987770119 /nfs/dbraw/zinc/77/01/19/987770119.db2.gz ULYPZSQWTPJYHF-ZACQAIPSSA-N 1 3 371.516 2.980 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CC4CCC4)c3)C2)[C@@H]1C(C)C ZINC000922395225 988545352 /nfs/dbraw/zinc/54/53/52/988545352.db2.gz RGXHPYWWBXFPJL-MXEMCNAFSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CC4CCC4)c3)C2)[C@@H]1C(C)C ZINC000922395225 988545362 /nfs/dbraw/zinc/54/53/62/988545362.db2.gz RGXHPYWWBXFPJL-MXEMCNAFSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@H]1C(C)C ZINC000922392867 988553065 /nfs/dbraw/zinc/55/30/65/988553065.db2.gz HZXNDVCOXVXFFE-IKVWTGGYSA-N 1 3 360.546 2.734 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(C(C)(C)C)nc3)C2)[C@H]1C(C)C ZINC000922392867 988553069 /nfs/dbraw/zinc/55/30/69/988553069.db2.gz HZXNDVCOXVXFFE-IKVWTGGYSA-N 1 3 360.546 2.734 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cc1 ZINC001106668413 988616510 /nfs/dbraw/zinc/61/65/10/988616510.db2.gz JOKPBHWLZBSSKB-TZIWHRDSSA-N 1 3 371.569 2.954 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccccc2Cl)[C@H](C)C1)N(C)C ZINC001106674483 988618301 /nfs/dbraw/zinc/61/83/01/988618301.db2.gz XMWLUEBRXODCDE-SUMDDJOVSA-N 1 3 365.949 2.907 20 0 FFADHO Cc1cncc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)c1 ZINC001106672244 988620893 /nfs/dbraw/zinc/62/08/93/988620893.db2.gz MJQDKHXBKNEMCX-IEBWSBKVSA-N 1 3 360.546 2.552 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1)N(C)C ZINC001106673108 988624576 /nfs/dbraw/zinc/62/45/76/988624576.db2.gz CDGYETSHHMVXOF-SUMDDJOVSA-N 1 3 365.949 2.907 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC000922723684 988850161 /nfs/dbraw/zinc/85/01/61/988850161.db2.gz OKMMNJNNVXVMKH-TYPHKJRUSA-N 1 3 355.526 2.899 20 0 FFADHO COCC[N@H+](C)C[C@@H](O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001168499794 988949004 /nfs/dbraw/zinc/94/90/04/988949004.db2.gz YLFWTLNGUJLOQL-IRXDYDNUSA-N 1 3 362.436 2.931 20 0 FFADHO COCC[N@@H+](C)C[C@@H](O)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC001168499794 988949007 /nfs/dbraw/zinc/94/90/07/988949007.db2.gz YLFWTLNGUJLOQL-IRXDYDNUSA-N 1 3 362.436 2.931 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000673706922 989181319 /nfs/dbraw/zinc/18/13/19/989181319.db2.gz RLANTFDLJVBCNU-SFTDATJTSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000673706922 989181323 /nfs/dbraw/zinc/18/13/23/989181323.db2.gz RLANTFDLJVBCNU-SFTDATJTSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000673774520 989246325 /nfs/dbraw/zinc/24/63/25/989246325.db2.gz DRHNTYXSESFJKG-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000673774520 989246337 /nfs/dbraw/zinc/24/63/37/989246337.db2.gz DRHNTYXSESFJKG-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001033833011 989746630 /nfs/dbraw/zinc/74/66/30/989746630.db2.gz CNKBJRUGEWIPMC-ZPMCFJSWSA-N 1 3 369.553 2.938 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001033833011 989746632 /nfs/dbraw/zinc/74/66/32/989746632.db2.gz CNKBJRUGEWIPMC-ZPMCFJSWSA-N 1 3 369.553 2.938 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000916639414 989878337 /nfs/dbraw/zinc/87/83/37/989878337.db2.gz UVBRWAFRSGQMIJ-UXHICEINSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000916639414 989878344 /nfs/dbraw/zinc/87/83/44/989878344.db2.gz UVBRWAFRSGQMIJ-UXHICEINSA-N 1 3 371.529 2.577 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000652284476 1015518294 /nfs/dbraw/zinc/51/82/94/1015518294.db2.gz XWBVZTGDGYKEGU-UHFFFAOYSA-N 1 3 372.488 2.819 20 0 FFADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345545 1015533574 /nfs/dbraw/zinc/53/35/74/1015533574.db2.gz DVUVMEFSCCBWEO-IQFIKXPYSA-N 1 3 371.525 2.571 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000675175779 990093602 /nfs/dbraw/zinc/09/36/02/990093602.db2.gz AIJMGDAOQJFLAA-FQEVSTJZSA-N 1 3 358.530 2.608 20 0 FFADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H]1CCN ZINC000652354051 1015536359 /nfs/dbraw/zinc/53/63/59/1015536359.db2.gz LOLCUGNYKYNPFK-VQIMIIECSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H]1CCN ZINC000652354051 1015536369 /nfs/dbraw/zinc/53/63/69/1015536369.db2.gz LOLCUGNYKYNPFK-VQIMIIECSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@@H]1CCCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H]1CC[NH3+] ZINC000652354051 1015536378 /nfs/dbraw/zinc/53/63/78/1015536378.db2.gz LOLCUGNYKYNPFK-VQIMIIECSA-N 1 3 372.513 2.591 20 0 FFADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000918120561 990338755 /nfs/dbraw/zinc/33/87/55/990338755.db2.gz GYRYWYMAEPVGGN-SFHVURJKSA-N 1 3 358.530 2.608 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC001085196865 990663996 /nfs/dbraw/zinc/66/39/96/990663996.db2.gz QRBZGIQOPAJOFQ-VAMGGRTRSA-N 1 3 365.562 2.693 20 0 FFADHO CC[C@H](C(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)N(C)C ZINC000923159732 990912911 /nfs/dbraw/zinc/91/29/11/990912911.db2.gz FVLPEHANVDVSIV-VQTJNVASSA-N 1 3 373.541 2.657 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)N(C)C ZINC000923159730 990913069 /nfs/dbraw/zinc/91/30/69/990913069.db2.gz FVLPEHANVDVSIV-UXHICEINSA-N 1 3 373.541 2.657 20 0 FFADHO CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000923297697 991042795 /nfs/dbraw/zinc/04/27/95/991042795.db2.gz DYIRSSXXNRAGNO-XGSMCBPESA-N 1 3 372.513 2.826 20 0 FFADHO OCCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cnn(Cc2ccccc2)c1 ZINC000923322226 991066176 /nfs/dbraw/zinc/06/61/76/991066176.db2.gz KECXSHQJWFCOAR-XDNSSPFJSA-N 1 3 368.525 2.646 20 0 FFADHO C[C@](NCCC1C[C@H]2CC[C@@H](C1)[NH2+]2)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000923376124 991102087 /nfs/dbraw/zinc/10/20/87/991102087.db2.gz IWFGYIKHORRFOY-NZHQHIMKSA-N 1 3 369.431 2.916 20 0 FFADHO C[C@@](NCCC1C[C@H]2CC[C@@H](C1)[NH2+]2)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000923376125 991102152 /nfs/dbraw/zinc/10/21/52/991102152.db2.gz IWFGYIKHORRFOY-QKABRSEGSA-N 1 3 369.431 2.916 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079153423 991818678 /nfs/dbraw/zinc/81/86/78/991818678.db2.gz GOOOPKXCFOOFSX-RBUKOAKNSA-N 1 3 361.505 2.993 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]C(C)C)C1 ZINC001079210788 991889810 /nfs/dbraw/zinc/88/98/10/991889810.db2.gz ARQCHEQYPJCFCC-ZCNNSNEGSA-N 1 3 361.505 2.993 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1F ZINC001079310767 992010981 /nfs/dbraw/zinc/01/09/81/992010981.db2.gz ITQRIPNTVRZASZ-XKGZKEIXSA-N 1 3 361.505 2.708 20 0 FFADHO C[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080255178 992894260 /nfs/dbraw/zinc/89/42/60/992894260.db2.gz PKWIYEUOLYDTPE-IEBWSBKVSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080255178 992894262 /nfs/dbraw/zinc/89/42/62/992894262.db2.gz PKWIYEUOLYDTPE-IEBWSBKVSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329815 992937453 /nfs/dbraw/zinc/93/74/53/992937453.db2.gz RNMOAJRVBBEIIR-GIYDNNGJSA-N 1 3 361.505 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329815 992937462 /nfs/dbraw/zinc/93/74/62/992937462.db2.gz RNMOAJRVBBEIIR-GIYDNNGJSA-N 1 3 361.505 2.823 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC001080554649 993159728 /nfs/dbraw/zinc/15/97/28/993159728.db2.gz ZRSZTHGBBPHSFP-SFHLNBCPSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C)N1CCCCCC1 ZINC001080554649 993159737 /nfs/dbraw/zinc/15/97/37/993159737.db2.gz ZRSZTHGBBPHSFP-SFHLNBCPSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N1CCCCCC1 ZINC001080554577 993160043 /nfs/dbraw/zinc/16/00/43/993160043.db2.gz WSSGISUFIOLKQF-ZIFCJYIRSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N1CCCCCC1 ZINC001080554577 993160048 /nfs/dbraw/zinc/16/00/48/993160048.db2.gz WSSGISUFIOLKQF-ZIFCJYIRSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559178 993164890 /nfs/dbraw/zinc/16/48/90/993164890.db2.gz YUISAKYYHKHWKM-OXQOHEQNSA-N 1 3 361.505 2.825 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1C ZINC001080756082 993339071 /nfs/dbraw/zinc/33/90/71/993339071.db2.gz IHFZJJSQKYUUIT-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCOC2CCC2)C[C@H]1C ZINC001080756082 993339076 /nfs/dbraw/zinc/33/90/76/993339076.db2.gz IHFZJJSQKYUUIT-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H]1CN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000880258641 1015791474 /nfs/dbraw/zinc/79/14/74/1015791474.db2.gz BQINJEJBGFEVMV-RBUKOAKNSA-N 1 3 364.493 2.754 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCC3CC3)C2)CCC1 ZINC001081125440 993682633 /nfs/dbraw/zinc/68/26/33/993682633.db2.gz ABBGOMRNIMTAAF-VQTJNVASSA-N 1 3 355.526 2.855 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001131562010 994397260 /nfs/dbraw/zinc/39/72/60/994397260.db2.gz KBSZFLKOBTWLQB-DSKINZAPSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001082557429 994927689 /nfs/dbraw/zinc/92/76/89/994927689.db2.gz DJFUGSUNFIGDBC-MDASCCDHSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC001082561972 994943711 /nfs/dbraw/zinc/94/37/11/994943711.db2.gz DMKBXJHSLCEMKV-OXQOHEQNSA-N 1 3 366.509 2.656 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001086694107 995125936 /nfs/dbraw/zinc/12/59/36/995125936.db2.gz CBZKWGZDWNEGHX-HBMCJLEFSA-N 1 3 357.542 2.976 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCc1ccc(F)cc1F ZINC001082681657 995269049 /nfs/dbraw/zinc/26/90/49/995269049.db2.gz JZLZOCYSIHTOEF-RDTXWAMCSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C(F)F)c3)C2)C1 ZINC001082742905 995400664 /nfs/dbraw/zinc/40/06/64/995400664.db2.gz WFFPZYROSPIUPI-IIDMSEBBSA-N 1 3 365.468 2.903 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc2c(c1)CCC2 ZINC001082766597 995449908 /nfs/dbraw/zinc/44/99/08/995449908.db2.gz JGZFDEUVHHYJKA-STXHMFSFSA-N 1 3 352.482 2.639 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)CC[N@@H+]1C ZINC001054134490 1015945540 /nfs/dbraw/zinc/94/55/40/1015945540.db2.gz FMJPSEHCNVAJAN-VWPQPMDRSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)CC[N@H+]1C ZINC001054134490 1015945547 /nfs/dbraw/zinc/94/55/47/1015945547.db2.gz FMJPSEHCNVAJAN-VWPQPMDRSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001170687777 995540421 /nfs/dbraw/zinc/54/04/21/995540421.db2.gz MNAJWSWTPUBJRI-GOEBONIOSA-N 1 3 373.464 2.679 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001082943593 995881773 /nfs/dbraw/zinc/88/17/73/995881773.db2.gz QOTSVPKJOGOZLL-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ncccc2C)CC[N@@H+]1C ZINC001049483295 1016010971 /nfs/dbraw/zinc/01/09/71/1016010971.db2.gz UVPAAYYTTJVLKW-OYNPSCLESA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ncccc2C)CC[N@H+]1C ZINC001049483295 1016010982 /nfs/dbraw/zinc/01/09/82/1016010982.db2.gz UVPAAYYTTJVLKW-OYNPSCLESA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C)cc4)C[C@H]32)CC[N@@H+]1C ZINC001084357118 996484598 /nfs/dbraw/zinc/48/45/98/996484598.db2.gz IRZDCUBSEFWXCD-PLACYPQZSA-N 1 3 355.526 2.758 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C)cc4)C[C@H]32)CC[N@H+]1C ZINC001084357118 996484599 /nfs/dbraw/zinc/48/45/99/996484599.db2.gz IRZDCUBSEFWXCD-PLACYPQZSA-N 1 3 355.526 2.758 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CNCc4ccccc43)cc2)CC1 ZINC000827251219 1016049659 /nfs/dbraw/zinc/04/96/59/1016049659.db2.gz XCANFQOKQTYDRV-NRFANRHFSA-N 1 3 364.493 2.654 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3CNCc4ccccc43)cc2)CC1 ZINC000827251219 1016049669 /nfs/dbraw/zinc/04/96/69/1016049669.db2.gz XCANFQOKQTYDRV-NRFANRHFSA-N 1 3 364.493 2.654 20 0 FFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662328 996773679 /nfs/dbraw/zinc/77/36/79/996773679.db2.gz FQTSRLKROJLWDP-VLCRHTCISA-N 1 3 369.553 2.666 20 0 FFADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662328 996773687 /nfs/dbraw/zinc/77/36/87/996773687.db2.gz FQTSRLKROJLWDP-VLCRHTCISA-N 1 3 369.553 2.666 20 0 FFADHO CCOC(=O)N1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000824187143 996810425 /nfs/dbraw/zinc/81/04/25/996810425.db2.gz DDXKYMSVMYXBII-YLJYHZDGSA-N 1 3 359.514 2.902 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cc5ccccc5s4)C[C@H]32)C1 ZINC001084830848 997577391 /nfs/dbraw/zinc/57/73/91/997577391.db2.gz LEVAEJNPVFYBGJ-ZIFCJYIRSA-N 1 3 369.534 2.886 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cc5ccccc5s4)C[C@H]32)C1 ZINC001084830848 997577398 /nfs/dbraw/zinc/57/73/98/997577398.db2.gz LEVAEJNPVFYBGJ-ZIFCJYIRSA-N 1 3 369.534 2.886 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc5ccccc5c4)C[C@H]32)C1 ZINC001084831164 997578194 /nfs/dbraw/zinc/57/81/94/997578194.db2.gz BGWDFQAJEJFUCQ-BHIFYINESA-N 1 3 363.505 2.824 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc5ccccc5c4)C[C@H]32)C1 ZINC001084831164 997578206 /nfs/dbraw/zinc/57/82/06/997578206.db2.gz BGWDFQAJEJFUCQ-BHIFYINESA-N 1 3 363.505 2.824 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844290775 997774883 /nfs/dbraw/zinc/77/48/83/997774883.db2.gz NSZCCGIWXAWQEL-FQEVSTJZSA-N 1 3 357.498 2.814 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844290775 997774895 /nfs/dbraw/zinc/77/48/95/997774895.db2.gz NSZCCGIWXAWQEL-FQEVSTJZSA-N 1 3 357.498 2.814 20 0 FFADHO O=C1O[C@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CN1C1CC1 ZINC000844331142 997788906 /nfs/dbraw/zinc/78/89/06/997788906.db2.gz WREHRTDGRYLDDQ-CTNGQTDRSA-N 1 3 355.482 2.568 20 0 FFADHO O=C1O[C@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CN1C1CC1 ZINC000844331142 997788913 /nfs/dbraw/zinc/78/89/13/997788913.db2.gz WREHRTDGRYLDDQ-CTNGQTDRSA-N 1 3 355.482 2.568 20 0 FFADHO COc1cccc(CN(C[C@@H]2CCCO2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903727306 1016157807 /nfs/dbraw/zinc/15/78/07/1016157807.db2.gz SBNHHICQARZFAO-SFTDATJTSA-N 1 3 374.525 2.835 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@@H]1CCN(C)C1 ZINC000881132447 1016167839 /nfs/dbraw/zinc/16/78/39/1016167839.db2.gz ZPENEVOTDIATSR-WOJBJXKFSA-N 1 3 371.529 2.529 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@@H]1CCN(C)C1 ZINC000881132447 1016167843 /nfs/dbraw/zinc/16/78/43/1016167843.db2.gz ZPENEVOTDIATSR-WOJBJXKFSA-N 1 3 371.529 2.529 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[C@@H]1CCN(C)C1 ZINC000881132446 1016168041 /nfs/dbraw/zinc/16/80/41/1016168041.db2.gz ZPENEVOTDIATSR-VQTJNVASSA-N 1 3 371.529 2.529 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)[C@@H]1CCN(C)C1 ZINC000881132446 1016168042 /nfs/dbraw/zinc/16/80/42/1016168042.db2.gz ZPENEVOTDIATSR-VQTJNVASSA-N 1 3 371.529 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)CC[N@@H+]1C ZINC001084944530 998243477 /nfs/dbraw/zinc/24/34/77/998243477.db2.gz TZEQETXRVYCRNW-PMXSJFBMSA-N 1 3 373.516 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)CC[N@H+]1C ZINC001084944530 998243490 /nfs/dbraw/zinc/24/34/90/998243490.db2.gz TZEQETXRVYCRNW-PMXSJFBMSA-N 1 3 373.516 2.979 20 0 FFADHO Cc1cc(CN2CC[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)cs1 ZINC001085022449 998691985 /nfs/dbraw/zinc/69/19/85/998691985.db2.gz IBBJXLNEKWSDAW-MJGOQNOKSA-N 1 3 361.555 2.821 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000677583374 1016243142 /nfs/dbraw/zinc/24/31/42/1016243142.db2.gz DFMXINLUDPQXIC-UFYCRDLUSA-N 1 3 356.514 2.702 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085074829 998862762 /nfs/dbraw/zinc/86/27/62/998862762.db2.gz DZMKSDWGZDEMMJ-YEBLZTOGSA-N 1 3 367.537 2.964 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085074829 998862766 /nfs/dbraw/zinc/86/27/66/998862766.db2.gz DZMKSDWGZDEMMJ-YEBLZTOGSA-N 1 3 367.537 2.964 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)C1 ZINC001085075023 998863365 /nfs/dbraw/zinc/86/33/65/998863365.db2.gz MQBCVLUQMPKSNH-GGPKGHCWSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)C1 ZINC001085075023 998863369 /nfs/dbraw/zinc/86/33/69/998863369.db2.gz MQBCVLUQMPKSNH-GGPKGHCWSA-N 1 3 359.489 2.590 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(OCc3ccccc3)CC2)cnn1C ZINC000903878292 1016283144 /nfs/dbraw/zinc/28/31/44/1016283144.db2.gz FTLAJLSUERUMJG-LJQANCHMSA-N 1 3 356.514 2.527 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(C)ns2)CC[N@@H+]1C ZINC001085204826 999159667 /nfs/dbraw/zinc/15/96/67/999159667.db2.gz MRAAGWQIVGLZRR-BSDSXHPESA-N 1 3 364.559 2.699 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(C)ns2)CC[N@H+]1C ZINC001085204826 999159674 /nfs/dbraw/zinc/15/96/74/999159674.db2.gz MRAAGWQIVGLZRR-BSDSXHPESA-N 1 3 364.559 2.699 20 0 FFADHO CCc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)cs1 ZINC001085245662 999244298 /nfs/dbraw/zinc/24/42/98/999244298.db2.gz HAFPQZOCERYXIE-BRWVUGGUSA-N 1 3 364.559 2.707 20 0 FFADHO CCc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)cs1 ZINC001085245662 999244303 /nfs/dbraw/zinc/24/43/03/999244303.db2.gz HAFPQZOCERYXIE-BRWVUGGUSA-N 1 3 364.559 2.707 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001085295431 999312293 /nfs/dbraw/zinc/31/22/93/999312293.db2.gz FYBQJIJSNWAUBZ-IAGOWNOFSA-N 1 3 362.518 2.683 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccncc2Cl)CC1 ZINC001085319990 999357122 /nfs/dbraw/zinc/35/71/22/999357122.db2.gz ZIDWNYVISLGDLO-QZTJIDSGSA-N 1 3 364.921 2.594 20 0 FFADHO COc1ccc(C[C@@H]2CCCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903932800 1016311863 /nfs/dbraw/zinc/31/18/63/1016311863.db2.gz VYJDKZWKKPCKBN-OALUTQOASA-N 1 3 369.513 2.808 20 0 FFADHO CCc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H]1C ZINC001085331378 999374842 /nfs/dbraw/zinc/37/48/42/999374842.db2.gz HLZJTLIKDNSYRA-GDIGMMSISA-N 1 3 362.518 2.547 20 0 FFADHO CC1(C)C[C@@H](Nc2cncc(OCCN3CCCC3)n2)C[C@@](C)(C[NH3+])C1 ZINC001169146620 1000027289 /nfs/dbraw/zinc/02/72/89/1000027289.db2.gz WFLOYKAXAZVJGB-OXQOHEQNSA-N 1 3 361.534 2.907 20 0 FFADHO CC[NH+]1CCC(N2CCC3(CC2)CN(Cc2ccccc2)CCO3)CC1 ZINC001169255597 1000035431 /nfs/dbraw/zinc/03/54/31/1000035431.db2.gz UBZFWPNETWFNOC-UHFFFAOYSA-N 1 3 357.542 2.838 20 0 FFADHO CCOC(=O)N1CCC[C@@H]([NH+]2CCC(N(CC)[C@H]3CCOC3)CC2)CC1 ZINC001169703634 1000070415 /nfs/dbraw/zinc/07/04/15/1000070415.db2.gz NVEXKDOPLNYKPM-MJGOQNOKSA-N 1 3 367.534 2.573 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](OC)C1CCCC1 ZINC001109463868 1000510461 /nfs/dbraw/zinc/51/04/61/1000510461.db2.gz AVDIIGVPQHPPMX-XWSJACJDSA-N 1 3 365.562 2.643 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](OC)C1CCCC1 ZINC001109463868 1000510467 /nfs/dbraw/zinc/51/04/67/1000510467.db2.gz AVDIIGVPQHPPMX-XWSJACJDSA-N 1 3 365.562 2.643 20 0 FFADHO CC[C@@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2)OC ZINC001109560745 1000637509 /nfs/dbraw/zinc/63/75/09/1000637509.db2.gz PGJBWMRHNPNTEL-XWSJACJDSA-N 1 3 365.562 2.645 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1C ZINC001091737101 1001182602 /nfs/dbraw/zinc/18/26/02/1001182602.db2.gz BTDJXBMVADPPPF-GIWBLDEGSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cc1C ZINC001091737101 1001182605 /nfs/dbraw/zinc/18/26/05/1001182605.db2.gz BTDJXBMVADPPPF-GIWBLDEGSA-N 1 3 369.553 2.924 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCc3cccs3)C[C@@]2(C)C1)C1CCC1 ZINC001091741004 1001187463 /nfs/dbraw/zinc/18/74/63/1001187463.db2.gz VYIAGRDNEFYOBF-UZLBHIALSA-N 1 3 361.555 2.555 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCc3cccs3)C[C@@]2(C)C1)C1CCC1 ZINC001091741004 1001187467 /nfs/dbraw/zinc/18/74/67/1001187467.db2.gz VYIAGRDNEFYOBF-UZLBHIALSA-N 1 3 361.555 2.555 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC ZINC001109968608 1001210784 /nfs/dbraw/zinc/21/07/84/1001210784.db2.gz GISPVFIZPVVAAB-RDGPPVDQSA-N 1 3 353.551 2.645 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(N(C)C)c1 ZINC001110013723 1001302512 /nfs/dbraw/zinc/30/25/12/1001302512.db2.gz YGHQNYZWMUKJGM-HKBOAZHASA-N 1 3 372.557 2.706 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(N(C)C)c1 ZINC001110013723 1001302519 /nfs/dbraw/zinc/30/25/19/1001302519.db2.gz YGHQNYZWMUKJGM-HKBOAZHASA-N 1 3 372.557 2.706 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCC(C)C)C1 ZINC001112548713 1001458449 /nfs/dbraw/zinc/45/84/49/1001458449.db2.gz NRDXOBCKYWGWCC-FPOVZHCZSA-N 1 3 367.578 2.609 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001112548635 1001458474 /nfs/dbraw/zinc/45/84/74/1001458474.db2.gz JCDOMUGUXZNUKV-RXVVDRJESA-N 1 3 361.505 2.886 20 0 FFADHO CC[NH+]1CCC(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC1 ZINC001182892506 1002090364 /nfs/dbraw/zinc/09/03/64/1002090364.db2.gz VNSQTUHBBKLROG-LJQANCHMSA-N 1 3 365.543 2.625 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]3(C)C2)cc1 ZINC001091985385 1002179142 /nfs/dbraw/zinc/17/91/42/1002179142.db2.gz PFJHTEMBGNBAGW-XPNTWCBSSA-N 1 3 371.569 2.904 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]3(C)C2)cc1 ZINC001091985385 1002179149 /nfs/dbraw/zinc/17/91/49/1002179149.db2.gz PFJHTEMBGNBAGW-XPNTWCBSSA-N 1 3 371.569 2.904 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)N(C)C ZINC001183363230 1002240756 /nfs/dbraw/zinc/24/07/56/1002240756.db2.gz UXEWLCPLKMGYEK-MJUUVYJYSA-N 1 3 372.557 2.727 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)N(C)C ZINC001183363230 1002240763 /nfs/dbraw/zinc/24/07/63/1002240763.db2.gz UXEWLCPLKMGYEK-MJUUVYJYSA-N 1 3 372.557 2.727 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013392 1002285014 /nfs/dbraw/zinc/28/50/14/1002285014.db2.gz PCDKHIABNCKPPS-ZNLUXHQJSA-N 1 3 355.526 2.617 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013392 1002285023 /nfs/dbraw/zinc/28/50/23/1002285023.db2.gz PCDKHIABNCKPPS-ZNLUXHQJSA-N 1 3 355.526 2.617 20 0 FFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013625 1002287686 /nfs/dbraw/zinc/28/76/86/1002287686.db2.gz VPOGNSNEVIUCOL-UXPWSPDFSA-N 1 3 353.526 2.635 20 0 FFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013625 1002287696 /nfs/dbraw/zinc/28/76/96/1002287696.db2.gz VPOGNSNEVIUCOL-UXPWSPDFSA-N 1 3 353.526 2.635 20 0 FFADHO COC(=O)/C=C\c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000827011207 1016622255 /nfs/dbraw/zinc/62/22/55/1016622255.db2.gz GCNZQGGXCDSPSM-PLNGDYQASA-N 1 3 369.465 2.863 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000775009617 1003286233 /nfs/dbraw/zinc/28/62/33/1003286233.db2.gz QKBMLAFUGWEWHR-FXAWDEMLSA-N 1 3 355.482 2.768 20 0 FFADHO CC[C@@H](Cc1ccc2c(c1)OCO2)N(CCC[NH+](C)C)CCC(=O)OC ZINC001170444457 1003584860 /nfs/dbraw/zinc/58/48/60/1003584860.db2.gz SYWHZAKOEJPEFG-KRWDZBQOSA-N 1 3 364.486 2.553 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401956 1004196100 /nfs/dbraw/zinc/19/61/00/1004196100.db2.gz DDROUFGMNOZUKC-RTBURBONSA-N 1 3 356.514 2.957 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401956 1004196107 /nfs/dbraw/zinc/19/61/07/1004196107.db2.gz DDROUFGMNOZUKC-RTBURBONSA-N 1 3 356.514 2.957 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncc4c(n3)CCC4)c3ccccc23)CC1 ZINC001170523661 1004584114 /nfs/dbraw/zinc/58/41/14/1004584114.db2.gz APRPVBRFQRFOEN-UHFFFAOYSA-N 1 3 361.493 2.875 20 0 FFADHO Cn1cnc2cc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)cnc21 ZINC001170527867 1004635981 /nfs/dbraw/zinc/63/59/81/1004635981.db2.gz FLRUHOWPNBJOCZ-UHFFFAOYSA-N 1 3 374.492 2.878 20 0 FFADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1OC(F)F ZINC001201415950 1005212205 /nfs/dbraw/zinc/21/22/05/1005212205.db2.gz IONRAUHMXFWGNM-HOTGVXAUSA-N 1 3 370.440 2.764 20 0 FFADHO COc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC001201954269 1005293277 /nfs/dbraw/zinc/29/32/77/1005293277.db2.gz KBWLXGWHJPQVSU-IBGZPJMESA-N 1 3 356.466 2.560 20 0 FFADHO COc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC001201954269 1005293284 /nfs/dbraw/zinc/29/32/84/1005293284.db2.gz KBWLXGWHJPQVSU-IBGZPJMESA-N 1 3 356.466 2.560 20 0 FFADHO C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CCN3CCC(F)(F)F)O2)CC1 ZINC001202328536 1005340889 /nfs/dbraw/zinc/34/08/89/1005340889.db2.gz HAVWXGSPGKYXJX-BRWVUGGUSA-N 1 3 364.452 2.919 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC[N@@H+]1CCOCC(C)C ZINC001489114304 1005412316 /nfs/dbraw/zinc/41/23/16/1005412316.db2.gz ISULFSUAPZLEGE-IPMKNSEASA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC[N@H+]1CCOCC(C)C ZINC001489114304 1005412317 /nfs/dbraw/zinc/41/23/17/1005412317.db2.gz ISULFSUAPZLEGE-IPMKNSEASA-N 1 3 353.551 2.501 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC001086712293 1005962278 /nfs/dbraw/zinc/96/22/78/1005962278.db2.gz YWEXCYFJLIZDSP-DFQSSKMNSA-N 1 3 358.530 2.639 20 0 FFADHO Cc1cccc(N(C(=O)c2ccc(CN(C)C)cc2)C2CC[NH2+]CC2)n1 ZINC001187293827 1006004240 /nfs/dbraw/zinc/00/42/40/1006004240.db2.gz UWFUSGBFRZBUGN-UHFFFAOYSA-N 1 3 352.482 2.850 20 0 FFADHO O=C(CC12CCC[NH+]1CCC2)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001273558978 1006541732 /nfs/dbraw/zinc/54/17/32/1006541732.db2.gz SNDKTKISTDFJMO-UHFFFAOYSA-N 1 3 373.463 2.882 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(C4CCC4)c3)CC2)CC1 ZINC000889055498 1007083351 /nfs/dbraw/zinc/08/33/51/1007083351.db2.gz GJPBMVMIINWMAH-UHFFFAOYSA-N 1 3 359.518 2.743 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000855346199 1007294937 /nfs/dbraw/zinc/29/49/37/1007294937.db2.gz RKIMMDHANGHYEL-UJGDBWEASA-N 1 3 354.498 2.636 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000855346199 1007294944 /nfs/dbraw/zinc/29/49/44/1007294944.db2.gz RKIMMDHANGHYEL-UJGDBWEASA-N 1 3 354.498 2.636 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCNC(=O)/C=C/c1ccccc1 ZINC000817929390 1007797897 /nfs/dbraw/zinc/79/78/97/1007797897.db2.gz GUPSNJQIVVRGGX-RLOGYQLBSA-N 1 3 351.494 2.754 20 0 FFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@H]1COC2(CCCCC2)O1 ZINC000817917319 1007808309 /nfs/dbraw/zinc/80/83/09/1007808309.db2.gz AXUHQYXUUXLYOP-ILZDJORESA-N 1 3 358.482 2.908 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000817970133 1007836059 /nfs/dbraw/zinc/83/60/59/1007836059.db2.gz MGQQWTOTGHHIQJ-FRQCXROJSA-N 1 3 357.498 2.819 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001086819896 1007892651 /nfs/dbraw/zinc/89/26/51/1007892651.db2.gz GNKFMERNSMLTLW-SXLOBPIMSA-N 1 3 358.530 2.719 20 0 FFADHO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000818955952 1007994467 /nfs/dbraw/zinc/99/44/67/1007994467.db2.gz GRNDAPCYZOPVAY-QHCPKHFHSA-N 1 3 367.537 2.874 20 0 FFADHO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000819122845 1008048478 /nfs/dbraw/zinc/04/84/78/1008048478.db2.gz ZSNVFXWVLPOLRS-JOCHJYFZSA-N 1 3 372.484 2.914 20 0 FFADHO CC(C)[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000886626655 1008779310 /nfs/dbraw/zinc/77/93/10/1008779310.db2.gz HXMWGVSEJSJDKK-FQEVSTJZSA-N 1 3 356.514 2.734 20 0 FFADHO CN1CCN(CCCO[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC001206590368 1032356436 /nfs/dbraw/zinc/35/64/36/1032356436.db2.gz KQKRYBOVDJUAOT-ZBYYUNFXSA-N 1 3 357.542 2.551 20 0 FFADHO CN1CCN(CCCO[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC001206590368 1032356447 /nfs/dbraw/zinc/35/64/47/1032356447.db2.gz KQKRYBOVDJUAOT-ZBYYUNFXSA-N 1 3 357.542 2.551 20 0 FFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001178171673 1008911546 /nfs/dbraw/zinc/91/15/46/1008911546.db2.gz TVWSGMMRMSZKTI-OALUTQOASA-N 1 3 358.461 2.683 20 0 FFADHO CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001178860645 1009172283 /nfs/dbraw/zinc/17/22/83/1009172283.db2.gz HHIPRNCTCILTNR-HKUYNNGSSA-N 1 3 361.505 2.884 20 0 FFADHO CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001178860645 1009172295 /nfs/dbraw/zinc/17/22/95/1009172295.db2.gz HHIPRNCTCILTNR-HKUYNNGSSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@H](C)C2)on1 ZINC001093056469 1009725588 /nfs/dbraw/zinc/72/55/88/1009725588.db2.gz AMIASYRHXCWFSI-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]Cc1cncs1 ZINC001093770425 1010542965 /nfs/dbraw/zinc/54/29/65/1010542965.db2.gz PISYPBZIVNMJJS-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNCc2ncc(C)s2)[C@H](C)C1 ZINC001093806326 1010582781 /nfs/dbraw/zinc/58/27/81/1010582781.db2.gz XIEJCTXTSCBJID-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNCc2ncc(C)s2)[C@H](C)C1 ZINC001093806326 1010582789 /nfs/dbraw/zinc/58/27/89/1010582789.db2.gz XIEJCTXTSCBJID-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001093824324 1010595074 /nfs/dbraw/zinc/59/50/74/1010595074.db2.gz QCKSACDFQABWDW-NPFVIJTESA-N 1 3 369.553 2.700 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001093824416 1010596593 /nfs/dbraw/zinc/59/65/93/1010596593.db2.gz UIJXDYQDPQNDCZ-BJZITVGISA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000794834652 1010768316 /nfs/dbraw/zinc/76/83/16/1010768316.db2.gz HZMFLDWPVHIZRJ-DZVQBONVSA-N 1 3 357.542 2.882 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c(C)c1 ZINC001094040106 1010801969 /nfs/dbraw/zinc/80/19/69/1010801969.db2.gz BZHABOKFPCDXMR-SVFBPWRDSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc2c(c1)CCC2 ZINC001094075036 1010834912 /nfs/dbraw/zinc/83/49/12/1010834912.db2.gz WPFFTIBXKCFUGW-JXXFODFXSA-N 1 3 366.509 2.886 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1c(F)cccc1Cl ZINC001094219966 1010940974 /nfs/dbraw/zinc/94/09/74/1010940974.db2.gz YIQNGZPNSHSGPW-QLFBSQMISA-N 1 3 367.896 2.615 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1c(F)cccc1Cl ZINC001094219966 1010940978 /nfs/dbraw/zinc/94/09/78/1010940978.db2.gz YIQNGZPNSHSGPW-QLFBSQMISA-N 1 3 367.896 2.615 20 0 FFADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711007 1011041963 /nfs/dbraw/zinc/04/19/63/1011041963.db2.gz ZIXXZKSFBJQFBY-MPESAESLSA-N 1 3 369.387 2.633 20 0 FFADHO [NH3+]CC12CCC(CC1)N2C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000868114883 1011172539 /nfs/dbraw/zinc/17/25/39/1011172539.db2.gz MUMNQOINJDVCHF-UHFFFAOYSA-N 1 3 374.554 2.766 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1 ZINC000868179096 1011191890 /nfs/dbraw/zinc/19/18/90/1011191890.db2.gz FUZUSKJBFAUDAS-ZCNNSNEGSA-N 1 3 368.481 2.934 20 0 FFADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000868189017 1011195050 /nfs/dbraw/zinc/19/50/50/1011195050.db2.gz VLQFVPDSWAXSDH-HSALFYBXSA-N 1 3 350.466 2.897 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001110161834 1011327446 /nfs/dbraw/zinc/32/74/46/1011327446.db2.gz VANUZHWQADAIKH-OWSLCNJRSA-N 1 3 369.500 2.874 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645361599 1011453090 /nfs/dbraw/zinc/45/30/90/1011453090.db2.gz RZNIYSUKFVGNAG-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645361599 1011453099 /nfs/dbraw/zinc/45/30/99/1011453099.db2.gz RZNIYSUKFVGNAG-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)Cc1ccccc1 ZINC000645421488 1011478605 /nfs/dbraw/zinc/47/86/05/1011478605.db2.gz JZVWOIHIBDCKPG-IFMALSPDSA-N 1 3 365.521 2.943 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000645473044 1011494842 /nfs/dbraw/zinc/49/48/42/1011494842.db2.gz UEEFDLDNUMTZJQ-OAQYLSRUSA-N 1 3 369.484 2.911 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645505677 1011507504 /nfs/dbraw/zinc/50/75/04/1011507504.db2.gz JWKVLNADRASRIK-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645505677 1011507515 /nfs/dbraw/zinc/50/75/15/1011507515.db2.gz JWKVLNADRASRIK-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO COC(=O)C1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172091005 1011623390 /nfs/dbraw/zinc/62/33/90/1011623390.db2.gz ZMUUVNQWFKJGOL-PMOLBWCYSA-N 1 3 372.509 2.572 20 0 FFADHO c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CN(c4ccncn4)C2)C3)cc1 ZINC001172070068 1011631430 /nfs/dbraw/zinc/63/14/30/1011631430.db2.gz LVAWBKBBFNWPOU-NUZGMZIFSA-N 1 3 363.509 2.841 20 0 FFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)[C@@H]2C1 ZINC001274820384 1011683690 /nfs/dbraw/zinc/68/36/90/1011683690.db2.gz UFLLMSSWAKDZNQ-YQVWRLOYSA-N 1 3 361.917 2.715 20 0 FFADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)[C@@H]2C1 ZINC001274820384 1011683697 /nfs/dbraw/zinc/68/36/97/1011683697.db2.gz UFLLMSSWAKDZNQ-YQVWRLOYSA-N 1 3 361.917 2.715 20 0 FFADHO O=C1CC[C@H]2C[C@@H]([NH+]3CCC4(CCN(Cc5ccoc5)C4)CC3)CCN12 ZINC001172179877 1011686387 /nfs/dbraw/zinc/68/63/87/1011686387.db2.gz VTMUYXJBSTYQKZ-OALUTQOASA-N 1 3 357.498 2.721 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001172250737 1011722205 /nfs/dbraw/zinc/72/22/05/1011722205.db2.gz GSYGJRUIIIOIAI-LEWJYISDSA-N 1 3 366.546 2.537 20 0 FFADHO CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CCCOC)CC1 ZINC001172253261 1011726087 /nfs/dbraw/zinc/72/60/87/1011726087.db2.gz IRXNFQKTDXPXFV-GOSISDBHSA-N 1 3 369.550 2.819 20 0 FFADHO COCCCN1CCC([N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001172253317 1011726343 /nfs/dbraw/zinc/72/63/43/1011726343.db2.gz KTWDJLVHVZSGHJ-OAQYLSRUSA-N 1 3 359.558 2.941 20 0 FFADHO COCCCN1CCC([N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001172253317 1011726358 /nfs/dbraw/zinc/72/63/58/1011726358.db2.gz KTWDJLVHVZSGHJ-OAQYLSRUSA-N 1 3 359.558 2.941 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC1([NH3+])CCC1 ZINC000646256105 1011819289 /nfs/dbraw/zinc/81/92/89/1011819289.db2.gz KJYXSUHBNMFFTN-SFHVURJKSA-N 1 3 367.497 2.849 20 0 FFADHO CC[NH+](CC)CCC(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001275053916 1011863226 /nfs/dbraw/zinc/86/32/26/1011863226.db2.gz VCQMNCVUHPFZMC-UHFFFAOYSA-N 1 3 363.468 2.985 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001095904007 1011980906 /nfs/dbraw/zinc/98/09/06/1011980906.db2.gz WEIJGXOUWNDASP-YDZRNGNQSA-N 1 3 351.510 2.865 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001095904007 1011980919 /nfs/dbraw/zinc/98/09/19/1011980919.db2.gz WEIJGXOUWNDASP-YDZRNGNQSA-N 1 3 351.510 2.865 20 0 FFADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CCN(C)CC2)CC1 ZINC001172764833 1012000344 /nfs/dbraw/zinc/00/03/44/1012000344.db2.gz DAMCDDIXFDDHOZ-GHTZIAJQSA-N 1 3 373.541 2.646 20 0 FFADHO COc1ccccc1[C@H](N)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000646603692 1012064560 /nfs/dbraw/zinc/06/45/60/1012064560.db2.gz RWQDSGHKDOWYGI-LJQANCHMSA-N 1 3 353.466 2.721 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Cl)N1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001172870627 1012079757 /nfs/dbraw/zinc/07/97/57/1012079757.db2.gz BCGHSBRRCYELTP-XJKSGUPXSA-N 1 3 355.885 2.552 20 0 FFADHO CC(C)(C)OC(=O)CN1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC001172887108 1012087470 /nfs/dbraw/zinc/08/74/70/1012087470.db2.gz KUOQWHQVSBGPCN-UHFFFAOYSA-N 1 3 365.562 2.789 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001299471503 1012147298 /nfs/dbraw/zinc/14/72/98/1012147298.db2.gz RADBFKQPSZHRKN-FMWKFLBASA-N 1 3 373.541 2.513 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001299471503 1012147309 /nfs/dbraw/zinc/14/73/09/1012147309.db2.gz RADBFKQPSZHRKN-FMWKFLBASA-N 1 3 373.541 2.513 20 0 FFADHO COc1ccc2c(c1)C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CO2 ZINC000647344348 1012445643 /nfs/dbraw/zinc/44/56/43/1012445643.db2.gz ORNTYXFRUSRRTJ-DYXWJJEUSA-N 1 3 352.478 2.934 20 0 FFADHO COc1ccc2c(c1)C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CO2 ZINC000647344348 1012445654 /nfs/dbraw/zinc/44/56/54/1012445654.db2.gz ORNTYXFRUSRRTJ-DYXWJJEUSA-N 1 3 352.478 2.934 20 0 FFADHO CC[N@@H+]1CC[C@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001173359652 1012490971 /nfs/dbraw/zinc/49/09/71/1012490971.db2.gz FPWBRPYDQXODHG-OALUTQOASA-N 1 3 364.484 2.709 20 0 FFADHO CC[N@H+]1CC[C@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)C1 ZINC001173359652 1012490979 /nfs/dbraw/zinc/49/09/79/1012490979.db2.gz FPWBRPYDQXODHG-OALUTQOASA-N 1 3 364.484 2.709 20 0 FFADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173370228 1012512355 /nfs/dbraw/zinc/51/23/55/1012512355.db2.gz BAVCCHVSGYKCDO-LVQVYYBASA-N 1 3 370.534 2.639 20 0 FFADHO O=C(NCc1nc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1)c1ccccc1 ZINC000647788323 1012584347 /nfs/dbraw/zinc/58/43/47/1012584347.db2.gz HSSLDOAWCUCGEQ-YESZJQIVSA-N 1 3 370.522 2.551 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3ccnc(Cl)c3)CC2)C1=O ZINC001275541637 1012599750 /nfs/dbraw/zinc/59/97/50/1012599750.db2.gz OFDQWMHYKZVDMP-LJQANCHMSA-N 1 3 364.921 2.501 20 0 FFADHO COc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1Cl ZINC001275561140 1012619026 /nfs/dbraw/zinc/61/90/26/1012619026.db2.gz XDPAOYOUHACVFM-SQWLQELKSA-N 1 3 367.921 2.625 20 0 FFADHO COc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1Cl ZINC001275561140 1012619035 /nfs/dbraw/zinc/61/90/35/1012619035.db2.gz XDPAOYOUHACVFM-SQWLQELKSA-N 1 3 367.921 2.625 20 0 FFADHO CCN(CC)CCC[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173461164 1012632963 /nfs/dbraw/zinc/63/29/63/1012632963.db2.gz UCRLBHTULJCUSC-UHFFFAOYSA-N 1 3 361.530 2.516 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)C3CCOCC3)cc2)CC1 ZINC000924721974 1017446727 /nfs/dbraw/zinc/44/67/27/1017446727.db2.gz JHXGRFLSOJMFFR-JOCHJYFZSA-N 1 3 357.542 2.729 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)cc2)CC1 ZINC000924721917 1017448089 /nfs/dbraw/zinc/44/80/89/1017448089.db2.gz IGPJLVVBBVGLRH-FGZHOGPDSA-N 1 3 357.542 2.729 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000679721179 1017592900 /nfs/dbraw/zinc/59/29/00/1017592900.db2.gz JILSEAVGQZJZRF-MBDNFAEBSA-N 1 3 358.526 2.930 20 0 FFADHO Cc1noc(C2(C)CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC000679739877 1017605911 /nfs/dbraw/zinc/60/59/11/1017605911.db2.gz VPFOLWPFGIZQSD-UHFFFAOYSA-N 1 3 358.486 2.872 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H](c2ccccc2)[C@H](C)N)N(C)C)cc1OC ZINC000925622627 1017803220 /nfs/dbraw/zinc/80/32/20/1017803220.db2.gz RILZZVFBEVTZRU-UQASEVPWSA-N 1 3 357.498 2.985 20 0 FFADHO O=C1C[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CN1Cc1ccccc1 ZINC000925629436 1017803557 /nfs/dbraw/zinc/80/35/57/1017803557.db2.gz LZNXHVFPOAUGHI-NRSPTQNISA-N 1 3 355.526 2.793 20 0 FFADHO O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000749127406 1018334953 /nfs/dbraw/zinc/33/49/53/1018334953.db2.gz OAFQJDCDUBNXHK-FUHWJXTLSA-N 1 3 374.460 2.512 20 0 FFADHO O[C@H](CN1CCCC1)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000749127406 1018334967 /nfs/dbraw/zinc/33/49/67/1018334967.db2.gz OAFQJDCDUBNXHK-FUHWJXTLSA-N 1 3 374.460 2.512 20 0 FFADHO CCC(CC)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)O2 ZINC001053601509 1018382482 /nfs/dbraw/zinc/38/24/82/1018382482.db2.gz KUXOGBDLXDMKJI-GBESFXJTSA-N 1 3 365.562 2.503 20 0 FFADHO CCC(CC)CN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)O2 ZINC001053601509 1018382492 /nfs/dbraw/zinc/38/24/92/1018382492.db2.gz KUXOGBDLXDMKJI-GBESFXJTSA-N 1 3 365.562 2.503 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cccc4cnccc43)C[C@@H]1C[NH2+]CCC2 ZINC001222130216 1032774343 /nfs/dbraw/zinc/77/43/43/1032774343.db2.gz BQEMBHBWISRSGM-RXVVDRJESA-N 1 3 353.466 2.600 20 0 FFADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901079563 1018721981 /nfs/dbraw/zinc/72/19/81/1018721981.db2.gz XCHRGKZQEBOUDH-LJQANCHMSA-N 1 3 370.497 2.618 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000901170764 1018785977 /nfs/dbraw/zinc/78/59/77/1018785977.db2.gz DYDNNUDSKOSSEL-AHRSYUTCSA-N 1 3 356.514 2.740 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000901170764 1018785992 /nfs/dbraw/zinc/78/59/92/1018785992.db2.gz DYDNNUDSKOSSEL-AHRSYUTCSA-N 1 3 356.514 2.740 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1CC[C@@H](C)CCCC(C)(C)O)CC[NH2+]CC2 ZINC001222216100 1032825552 /nfs/dbraw/zinc/82/55/52/1032825552.db2.gz VZENWVAGTISTNQ-ZWKOTPCHSA-N 1 3 368.562 2.961 20 0 FFADHO C[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930136012 1019887409 /nfs/dbraw/zinc/88/74/09/1019887409.db2.gz ISLNGAMBQHKKAI-VBSBHUPXSA-N 1 3 363.496 2.993 20 0 FFADHO C[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930136007 1019887766 /nfs/dbraw/zinc/88/77/66/1019887766.db2.gz ISLNGAMBQHKKAI-MTFMMBMASA-N 1 3 363.496 2.993 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c(C)s1 ZINC001096350403 1020187860 /nfs/dbraw/zinc/18/78/60/1020187860.db2.gz IPEGBUBVPCSNTG-NQYYFHDYSA-N 1 3 361.555 2.928 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c(C)s1 ZINC001096350403 1020187866 /nfs/dbraw/zinc/18/78/66/1020187866.db2.gz IPEGBUBVPCSNTG-NQYYFHDYSA-N 1 3 361.555 2.928 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc4ncccc4c3)C2)CC[N@@H+]1C ZINC001046331457 1020597577 /nfs/dbraw/zinc/59/75/77/1020597577.db2.gz LLZJVIMMGZSROG-ZWDAVXSWSA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc4ncccc4c3)C2)CC[N@H+]1C ZINC001046331457 1020597585 /nfs/dbraw/zinc/59/75/85/1020597585.db2.gz LLZJVIMMGZSROG-ZWDAVXSWSA-N 1 3 366.509 2.656 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[NH+](CC)CC ZINC001111018332 1020606016 /nfs/dbraw/zinc/60/60/16/1020606016.db2.gz RAXXEXQTVDIHNI-NCOADZHNSA-N 1 3 357.489 2.874 20 0 FFADHO Cc1nc([C@@H]2CCN(CCCCC[N@@H+]3CC[C@H](c4noc(C)n4)C3)C2)no1 ZINC000931942008 1020637881 /nfs/dbraw/zinc/63/78/81/1020637881.db2.gz TXNLGNOYFQLTBM-CALCHBBNSA-N 1 3 374.489 2.519 20 0 FFADHO Cc1nc([C@@H]2CCN(CCCCC[N@H+]3CC[C@H](c4noc(C)n4)C3)C2)no1 ZINC000931942008 1020637887 /nfs/dbraw/zinc/63/78/87/1020637887.db2.gz TXNLGNOYFQLTBM-CALCHBBNSA-N 1 3 374.489 2.519 20 0 FFADHO Cc1nc([C@@H]2CC[N@@H+](CCCCCN3CC[C@H](c4noc(C)n4)C3)C2)no1 ZINC000931942008 1020637892 /nfs/dbraw/zinc/63/78/92/1020637892.db2.gz TXNLGNOYFQLTBM-CALCHBBNSA-N 1 3 374.489 2.519 20 0 FFADHO Cc1nc([C@@H]2CC[N@H+](CCCCCN3CC[C@H](c4noc(C)n4)C3)C2)no1 ZINC000931942008 1020637896 /nfs/dbraw/zinc/63/78/96/1020637896.db2.gz TXNLGNOYFQLTBM-CALCHBBNSA-N 1 3 374.489 2.519 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)C1 ZINC001098219895 1020740376 /nfs/dbraw/zinc/74/03/76/1020740376.db2.gz WXGFUJNOTITAQT-MANSERQUSA-N 1 3 361.555 2.744 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)C1 ZINC001098219895 1020740379 /nfs/dbraw/zinc/74/03/79/1020740379.db2.gz WXGFUJNOTITAQT-MANSERQUSA-N 1 3 361.555 2.744 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@H]2CCCO2)c1 ZINC001098459615 1020925934 /nfs/dbraw/zinc/92/59/34/1020925934.db2.gz NXRQXDUUPDOMHY-NCYKPQTJSA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@H]2CCCO2)c1 ZINC001098459615 1020925941 /nfs/dbraw/zinc/92/59/41/1020925941.db2.gz NXRQXDUUPDOMHY-NCYKPQTJSA-N 1 3 371.525 2.652 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001095921560 1021155713 /nfs/dbraw/zinc/15/57/13/1021155713.db2.gz ZZCMTWFFKFUQQA-WJRACZLCSA-N 1 3 355.526 2.947 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001095921560 1021155716 /nfs/dbraw/zinc/15/57/16/1021155716.db2.gz ZZCMTWFFKFUQQA-WJRACZLCSA-N 1 3 355.526 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cccnc2C)C3)CC[N@@H+]1C ZINC001098846840 1021231959 /nfs/dbraw/zinc/23/19/59/1021231959.db2.gz VSXCBMXPMAFEDC-KEZQHZCBSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(Cc2cccnc2C)C3)CC[N@H+]1C ZINC001098846840 1021231967 /nfs/dbraw/zinc/23/19/67/1021231967.db2.gz VSXCBMXPMAFEDC-KEZQHZCBSA-N 1 3 370.541 2.591 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218101039 1032993147 /nfs/dbraw/zinc/99/31/47/1032993147.db2.gz GZWJIQLMZRMXRO-SLFFLAALSA-N 1 3 365.562 2.741 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218101039 1032993157 /nfs/dbraw/zinc/99/31/57/1032993157.db2.gz GZWJIQLMZRMXRO-SLFFLAALSA-N 1 3 365.562 2.741 20 0 FFADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001111467857 1021917301 /nfs/dbraw/zinc/91/73/01/1021917301.db2.gz YKEPBECRBRWBFU-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001111467857 1021917304 /nfs/dbraw/zinc/91/73/04/1021917304.db2.gz YKEPBECRBRWBFU-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)[C@@H](c2ccccc2)C1 ZINC001019416544 1022457692 /nfs/dbraw/zinc/45/76/92/1022457692.db2.gz PBRURMHOMYGHOA-ZCNNSNEGSA-N 1 3 369.534 2.784 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)[C@@H](c2ccccc2)C1 ZINC001019416544 1022457699 /nfs/dbraw/zinc/45/76/99/1022457699.db2.gz PBRURMHOMYGHOA-ZCNNSNEGSA-N 1 3 369.534 2.784 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1)C1CC1 ZINC001099446717 1022539349 /nfs/dbraw/zinc/53/93/49/1022539349.db2.gz SCRNGBPJKZJKAV-SCTDSRPQSA-N 1 3 369.500 2.590 20 0 FFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001099447139 1022540860 /nfs/dbraw/zinc/54/08/60/1022540860.db2.gz WPIPEOZYBAVVKI-JQVVWYNYSA-N 1 3 361.574 2.981 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCc2ccc(C)cc2)CC[N@@H+]1C ZINC001038268636 1022643360 /nfs/dbraw/zinc/64/33/60/1022643360.db2.gz IYNODGWLQPBLEP-QHAWAJNXSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCc2ccc(C)cc2)CC[N@H+]1C ZINC001038268636 1022643368 /nfs/dbraw/zinc/64/33/68/1022643368.db2.gz IYNODGWLQPBLEP-QHAWAJNXSA-N 1 3 357.542 2.848 20 0 FFADHO C[N@@H+]1C[C@@]2(C)CN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@]2(C)C1 ZINC001119900856 1023152667 /nfs/dbraw/zinc/15/26/67/1023152667.db2.gz MGQWOQJPYBQRQD-FFZOFVMBSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@H+]1C[C@@]2(C)CN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@]2(C)C1 ZINC001119900856 1023152671 /nfs/dbraw/zinc/15/26/71/1023152671.db2.gz MGQWOQJPYBQRQD-FFZOFVMBSA-N 1 3 351.535 2.907 20 0 FFADHO [NH3+]C[C@@H]1CCCC12CCN(C(=O)[C@H]1CCCN(Cc3cccnc3)C1)CC2 ZINC001122557087 1023337929 /nfs/dbraw/zinc/33/79/29/1023337929.db2.gz WCUWGYQUXNZWRO-PMACEKPBSA-N 1 3 370.541 2.661 20 0 FFADHO [NH3+]CC1([C@H]2CCCCN2C(=O)NC[C@H]2NCCc3ccccc32)CCC1 ZINC001120546154 1023355436 /nfs/dbraw/zinc/35/54/36/1023355436.db2.gz QFCWPUOFAHNJHL-RTBURBONSA-N 1 3 356.514 2.567 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CNC[C@@H](O)c2ccc(C)o2)CC1 ZINC000756127198 1023670134 /nfs/dbraw/zinc/67/01/34/1023670134.db2.gz IYJZJRLBELJXEV-HXUWFJFHSA-N 1 3 357.498 2.943 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)c2ccc(C)o2)CC1 ZINC000756127198 1023670136 /nfs/dbraw/zinc/67/01/36/1023670136.db2.gz IYJZJRLBELJXEV-HXUWFJFHSA-N 1 3 357.498 2.943 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC001123569203 1023872294 /nfs/dbraw/zinc/87/22/94/1023872294.db2.gz KVDXNDSWSCVEBV-HXUWFJFHSA-N 1 3 367.497 2.653 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1 ZINC001101283980 1024322213 /nfs/dbraw/zinc/32/22/13/1024322213.db2.gz GKEHZVGKNKOLFU-UTKZUKDTSA-N 1 3 361.505 2.836 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@]2(C)C1 ZINC001101283980 1024322228 /nfs/dbraw/zinc/32/22/28/1024322228.db2.gz GKEHZVGKNKOLFU-UTKZUKDTSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101285154 1024329748 /nfs/dbraw/zinc/32/97/48/1024329748.db2.gz QXOORJRTGLNGQX-FCEWJHQRSA-N 1 3 371.516 2.932 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101285154 1024329767 /nfs/dbraw/zinc/32/97/67/1024329767.db2.gz QXOORJRTGLNGQX-FCEWJHQRSA-N 1 3 371.516 2.932 20 0 FFADHO O=C(NCCCCCC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001122151192 1024387240 /nfs/dbraw/zinc/38/72/40/1024387240.db2.gz QDESOEIMJZEJSA-OAQYLSRUSA-N 1 3 372.557 2.970 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1 ZINC001101400231 1024637283 /nfs/dbraw/zinc/63/72/83/1024637283.db2.gz MRZTVGSGVQFWPW-MJGOQNOKSA-N 1 3 371.516 2.934 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1 ZINC001101400231 1024637288 /nfs/dbraw/zinc/63/72/88/1024637288.db2.gz MRZTVGSGVQFWPW-MJGOQNOKSA-N 1 3 371.516 2.934 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101478229 1024847659 /nfs/dbraw/zinc/84/76/59/1024847659.db2.gz DXJGTWNJIIWISW-SCTDSRPQSA-N 1 3 371.516 2.932 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC001101478229 1024847678 /nfs/dbraw/zinc/84/76/78/1024847678.db2.gz DXJGTWNJIIWISW-SCTDSRPQSA-N 1 3 371.516 2.932 20 0 FFADHO COc1cccc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000717926441 1025168863 /nfs/dbraw/zinc/16/88/63/1025168863.db2.gz ORYCZLUZAMWMCR-UHFFFAOYSA-N 1 3 355.482 2.597 20 0 FFADHO CCc1ccccc1CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048601 1025356135 /nfs/dbraw/zinc/35/61/35/1025356135.db2.gz IARXEOVCOGJSHY-YHYVQYDKSA-N 1 3 371.569 2.816 20 0 FFADHO CCc1ccccc1CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048601 1025356150 /nfs/dbraw/zinc/35/61/50/1025356150.db2.gz IARXEOVCOGJSHY-YHYVQYDKSA-N 1 3 371.569 2.816 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001102051682 1025364253 /nfs/dbraw/zinc/36/42/53/1025364253.db2.gz FMIIXLBTQMFCIZ-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001102051682 1025364266 /nfs/dbraw/zinc/36/42/66/1025364266.db2.gz FMIIXLBTQMFCIZ-WIYYLYMNSA-N 1 3 371.569 2.960 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@H]1C ZINC001102100913 1025425888 /nfs/dbraw/zinc/42/58/88/1025425888.db2.gz CTXZTESOTGHNJW-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)C[C@H]1C ZINC001102100913 1025425892 /nfs/dbraw/zinc/42/58/92/1025425892.db2.gz CTXZTESOTGHNJW-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO Cc1ccc([C@H](CNC(=O)Cc2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000638076660 1025693023 /nfs/dbraw/zinc/69/30/23/1025693023.db2.gz RVRYZFLADFMMQU-NRFANRHFSA-N 1 3 351.494 2.602 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320400 1025740928 /nfs/dbraw/zinc/74/09/28/1025740928.db2.gz AUEYAVRJTVGKMU-IIAWOOMASA-N 1 3 353.457 2.662 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366743 1025819060 /nfs/dbraw/zinc/81/90/60/1025819060.db2.gz OYBDZXKTUGGYNZ-VAMGGRTRSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366743 1025819069 /nfs/dbraw/zinc/81/90/69/1025819069.db2.gz OYBDZXKTUGGYNZ-VAMGGRTRSA-N 1 3 357.542 2.972 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]2C)C1 ZINC001102369963 1025826290 /nfs/dbraw/zinc/82/62/90/1025826290.db2.gz MLBSLPGHBOUCLV-MBOZVWFJSA-N 1 3 361.505 2.682 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]2C)C1 ZINC001102369963 1025826298 /nfs/dbraw/zinc/82/62/98/1025826298.db2.gz MLBSLPGHBOUCLV-MBOZVWFJSA-N 1 3 361.505 2.682 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369609 1025829651 /nfs/dbraw/zinc/82/96/51/1025829651.db2.gz AAHJUPSYOYPJNL-NSISKUIASA-N 1 3 357.542 2.829 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369609 1025829660 /nfs/dbraw/zinc/82/96/60/1025829660.db2.gz AAHJUPSYOYPJNL-NSISKUIASA-N 1 3 357.542 2.829 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001102373087 1025839712 /nfs/dbraw/zinc/83/97/12/1025839712.db2.gz USLFXNTVNYUENX-MPDIPGFNSA-N 1 3 359.917 2.636 20 0 FFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001102373087 1025839731 /nfs/dbraw/zinc/83/97/31/1025839731.db2.gz USLFXNTVNYUENX-MPDIPGFNSA-N 1 3 359.917 2.636 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C)N(C)C ZINC001102380412 1025855365 /nfs/dbraw/zinc/85/53/65/1025855365.db2.gz GRZJRESDNXYHGV-QRQLOZEOSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C)N(C)C ZINC001102380412 1025855384 /nfs/dbraw/zinc/85/53/84/1025855384.db2.gz GRZJRESDNXYHGV-QRQLOZEOSA-N 1 3 361.530 2.528 20 0 FFADHO CC(C)COCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430448 1025963475 /nfs/dbraw/zinc/96/34/75/1025963475.db2.gz RBJCCLGHIAVEKR-HSALFYBXSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)COCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430448 1025963490 /nfs/dbraw/zinc/96/34/90/1025963490.db2.gz RBJCCLGHIAVEKR-HSALFYBXSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCc2ccccc2Cl)C[C@H]1C ZINC001102475537 1026056497 /nfs/dbraw/zinc/05/64/97/1026056497.db2.gz SDPAWUNSRPYXPK-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2Cl)C[C@H]1C ZINC001102475537 1026056517 /nfs/dbraw/zinc/05/65/17/1026056517.db2.gz SDPAWUNSRPYXPK-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000639002160 1026124016 /nfs/dbraw/zinc/12/40/16/1026124016.db2.gz YHRLAQYHVIJVLE-FQEVSTJZSA-N 1 3 351.494 2.761 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)c2C)C[C@H]1C ZINC001102525097 1026214582 /nfs/dbraw/zinc/21/45/82/1026214582.db2.gz KTCRXPGEOQPYGE-VQIMIIECSA-N 1 3 361.530 2.530 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OC)c2C)C[C@H]1C ZINC001102525097 1026214591 /nfs/dbraw/zinc/21/45/91/1026214591.db2.gz KTCRXPGEOQPYGE-VQIMIIECSA-N 1 3 361.530 2.530 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC000639272460 1026260468 /nfs/dbraw/zinc/26/04/68/1026260468.db2.gz YTQHIZDAVAAXBI-VWPQPMDRSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)CCN(Cc2ccccc2)C1 ZINC000639272460 1026260483 /nfs/dbraw/zinc/26/04/83/1026260483.db2.gz YTQHIZDAVAAXBI-VWPQPMDRSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(CN2CC[C@@H](O)[C@H](CO)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639272460 1026260493 /nfs/dbraw/zinc/26/04/93/1026260493.db2.gz YTQHIZDAVAAXBI-VWPQPMDRSA-N 1 3 360.542 2.600 20 0 FFADHO CC(C)(C)[C@]1(CN2CC[C@@H](O)[C@H](CO)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639272460 1026260500 /nfs/dbraw/zinc/26/05/00/1026260500.db2.gz YTQHIZDAVAAXBI-VWPQPMDRSA-N 1 3 360.542 2.600 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1F ZINC000838288274 1026301699 /nfs/dbraw/zinc/30/16/99/1026301699.db2.gz QCDFLEDDCWTNRJ-LJQANCHMSA-N 1 3 369.456 2.917 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102601152 1026400821 /nfs/dbraw/zinc/40/08/21/1026400821.db2.gz NXWLWSQMAHHAIB-JXXFODFXSA-N 1 3 361.505 2.837 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102601152 1026400823 /nfs/dbraw/zinc/40/08/23/1026400823.db2.gz NXWLWSQMAHHAIB-JXXFODFXSA-N 1 3 361.505 2.837 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CCC3(C2)CC[NH+](C)CC3)C2CC2)cc1 ZINC000639759746 1026459674 /nfs/dbraw/zinc/45/96/74/1026459674.db2.gz IKPXYWOBXGPQFP-OAQYLSRUSA-N 1 3 371.525 2.680 20 0 FFADHO C[C@@H]1CC[N@@H+](C[C@@H](CN2CC[C@H](C)[C@H](CO)C2)c2ccccc2)C[C@H]1CO ZINC000639884114 1026502406 /nfs/dbraw/zinc/50/24/06/1026502406.db2.gz CHTKHHUFEVYWQT-MXZFZVOGSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CC[N@H+](C[C@@H](CN2CC[C@H](C)[C@H](CO)C2)c2ccccc2)C[C@H]1CO ZINC000639884114 1026502409 /nfs/dbraw/zinc/50/24/09/1026502409.db2.gz CHTKHHUFEVYWQT-MXZFZVOGSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CCN(C[C@@H](C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c2ccccc2)C[C@H]1CO ZINC000639884114 1026502420 /nfs/dbraw/zinc/50/24/20/1026502420.db2.gz CHTKHHUFEVYWQT-MXZFZVOGSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CCN(C[C@@H](C[N@H+]2CC[C@H](C)[C@H](CO)C2)c2ccccc2)C[C@H]1CO ZINC000639884114 1026502427 /nfs/dbraw/zinc/50/24/27/1026502427.db2.gz CHTKHHUFEVYWQT-MXZFZVOGSA-N 1 3 374.569 2.671 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001103158106 1027012773 /nfs/dbraw/zinc/01/27/73/1027012773.db2.gz UERCXZMKFCHCQW-GDBMZVCRSA-N 1 3 359.505 2.836 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001103158106 1027012777 /nfs/dbraw/zinc/01/27/77/1027012777.db2.gz UERCXZMKFCHCQW-GDBMZVCRSA-N 1 3 359.505 2.836 20 0 FFADHO COC(=O)c1cccc([C@H]2C[NH2+]CCN2c2nc(C)cc3[nH]ccc32)c1 ZINC001159054085 1027249539 /nfs/dbraw/zinc/24/95/39/1027249539.db2.gz KSZYSAXFTZRKBO-GOSISDBHSA-N 1 3 350.422 2.809 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001159259476 1027328193 /nfs/dbraw/zinc/32/81/93/1027328193.db2.gz YKRYVRVQLDETAJ-ONTIZHBOSA-N 1 3 373.541 2.611 20 0 FFADHO CN1CCN(c2cccc(Nc3ccc(CN4CC[NH2+]CC4)cc3)c2)CC1 ZINC001159484370 1027406205 /nfs/dbraw/zinc/40/62/05/1027406205.db2.gz JNKHFDPSFNUZMG-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001103434186 1027474930 /nfs/dbraw/zinc/47/49/30/1027474930.db2.gz STDRETGWTDRIOV-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1csc(CN2C[C@@H](C)[C@H](CCNC(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001103434186 1027474942 /nfs/dbraw/zinc/47/49/42/1027474942.db2.gz STDRETGWTDRIOV-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C2)on1 ZINC001103438658 1027483683 /nfs/dbraw/zinc/48/36/83/1027483683.db2.gz VILIIFMTHLALEO-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C2)on1 ZINC001103438658 1027483693 /nfs/dbraw/zinc/48/36/93/1027483693.db2.gz VILIIFMTHLALEO-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO CN1CC=C(Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)CC1 ZINC001159962017 1027545923 /nfs/dbraw/zinc/54/59/23/1027545923.db2.gz NDMQOJNETGLUJY-UHFFFAOYSA-N 1 3 354.420 2.742 20 0 FFADHO CN1CCN(Cc2ccc(Nc3ccccc3O[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001160167160 1027619772 /nfs/dbraw/zinc/61/97/72/1027619772.db2.gz NHSFJBCSINEHJE-HXUWFJFHSA-N 1 3 366.509 2.918 20 0 FFADHO CCN(Cc1ccc(F)c(F)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445769 1027883061 /nfs/dbraw/zinc/88/30/61/1027883061.db2.gz KKMYMDOPORXWAR-IIAWOOMASA-N 1 3 353.457 2.632 20 0 FFADHO CCN(Cc1ccc(F)c(F)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445769 1027883079 /nfs/dbraw/zinc/88/30/79/1027883079.db2.gz KKMYMDOPORXWAR-IIAWOOMASA-N 1 3 353.457 2.632 20 0 FFADHO N[C@H](CC(=O)N1C[C@H]([NH3+])CC(F)(F)C1)c1cccc(Cl)c1Cl ZINC001160971061 1027954329 /nfs/dbraw/zinc/95/43/29/1027954329.db2.gz DMALAAOLJOVDIZ-LDYMZIIASA-N 1 3 352.212 2.578 20 0 FFADHO COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3nc[nH]c3C)C2)c1 ZINC001103677136 1027959579 /nfs/dbraw/zinc/95/95/79/1027959579.db2.gz MVMSYPDISRMYTH-CRAIPNDOSA-N 1 3 370.497 2.544 20 0 FFADHO COc1cccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3nc[nH]c3C)C2)c1 ZINC001103677136 1027959594 /nfs/dbraw/zinc/95/95/94/1027959594.db2.gz MVMSYPDISRMYTH-CRAIPNDOSA-N 1 3 370.497 2.544 20 0 FFADHO Clc1cc(NC2CC[NH+](CC3CCOCC3)CC2)c2c(n1)CNCC2 ZINC001161215153 1028071764 /nfs/dbraw/zinc/07/17/64/1028071764.db2.gz ONJKAFVGRCDGGV-UHFFFAOYSA-N 1 3 364.921 2.684 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001103755522 1028145201 /nfs/dbraw/zinc/14/52/01/1028145201.db2.gz KIGMRXSAZORKFD-IAGOWNOFSA-N 1 3 351.560 2.705 20 0 FFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001103755522 1028145218 /nfs/dbraw/zinc/14/52/18/1028145218.db2.gz KIGMRXSAZORKFD-IAGOWNOFSA-N 1 3 351.560 2.705 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1C ZINC001103757371 1028148063 /nfs/dbraw/zinc/14/80/63/1028148063.db2.gz YEKSGCMFLTXWLM-GGPKGHCWSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1C ZINC001103757371 1028148068 /nfs/dbraw/zinc/14/80/68/1028148068.db2.gz YEKSGCMFLTXWLM-GGPKGHCWSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)CCN(C(=O)CCCc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001161443462 1028177458 /nfs/dbraw/zinc/17/74/58/1028177458.db2.gz VEZCESMGHVNISU-GOSISDBHSA-N 1 3 356.514 2.633 20 0 FFADHO CN(C)CCN(C(=O)/C=C/c1c(F)ccc(F)c1Cl)[C@H]1CCC[NH2+]C1 ZINC001161447189 1028179186 /nfs/dbraw/zinc/17/91/86/1028179186.db2.gz WEZVMUIQBHDIIL-LJLILKBBSA-N 1 3 371.859 2.774 20 0 FFADHO COc1c(Cl)cc(Cl)cc1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449818 1028180359 /nfs/dbraw/zinc/18/03/59/1028180359.db2.gz SVMHBGCEMNWIEY-CYBMUJFWSA-N 1 3 374.312 2.758 20 0 FFADHO C[NH+]1CCC(N(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)C2CCCC2)CC1 ZINC001161454092 1028184237 /nfs/dbraw/zinc/18/42/37/1028184237.db2.gz QYUKCILBGMXKNS-CJNGLKHVSA-N 1 3 361.452 2.782 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]Cc1cccc(F)c1F ZINC001104000184 1028464137 /nfs/dbraw/zinc/46/41/37/1028464137.db2.gz YJFIVPXYXQIBSO-QGPMSJSTSA-N 1 3 365.468 2.633 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1CCCN(c2ccccc2F)C1 ZINC000644610762 1028582484 /nfs/dbraw/zinc/58/24/84/1028582484.db2.gz QHYZLOWNWJCDEJ-WOJBJXKFSA-N 1 3 371.500 2.877 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1CCCN(c2ccccc2F)C1 ZINC000644610762 1028582497 /nfs/dbraw/zinc/58/24/97/1028582497.db2.gz QHYZLOWNWJCDEJ-WOJBJXKFSA-N 1 3 371.500 2.877 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)[C@H](C(C)C)[NH+](C)C)c1)N(C)C ZINC000644663882 1028618472 /nfs/dbraw/zinc/61/84/72/1028618472.db2.gz SPUCXGMXWBETDB-ROUUACIJSA-N 1 3 362.518 2.736 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC000644698951 1028643878 /nfs/dbraw/zinc/64/38/78/1028643878.db2.gz TYWHWPNWBYQEMZ-FQEVSTJZSA-N 1 3 353.466 2.567 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2c(OC)cccc12 ZINC001163125672 1028811765 /nfs/dbraw/zinc/81/17/65/1028811765.db2.gz GOWZUIJSFRFAJZ-UHFFFAOYSA-N 1 3 350.854 2.570 20 0 FFADHO CC[NH+](CC)CCNC(=N)Nc1nc(-c2ccccn2)nc2ccccc21 ZINC001163128126 1028812589 /nfs/dbraw/zinc/81/25/89/1028812589.db2.gz ABGFWOKIWYBTGZ-UHFFFAOYSA-N 1 3 363.469 2.970 20 0 FFADHO CCOC(=O)c1c[nH]c2ncnc(NCc3cccc(C[NH+](C)C)c3)c12 ZINC001156044180 1029025641 /nfs/dbraw/zinc/02/56/41/1029025641.db2.gz ISYJZHPDFKATCM-UHFFFAOYSA-N 1 3 353.426 2.760 20 0 FFADHO C[C@H](C(=O)N1CC(N(C)Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC001157527420 1029608353 /nfs/dbraw/zinc/60/83/53/1029608353.db2.gz GOHDGTKMXTZMNK-GOSISDBHSA-N 1 3 363.505 2.776 20 0 FFADHO C[C@H](C(=O)N1CC([N@H+](C)Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC001157527420 1029608354 /nfs/dbraw/zinc/60/83/54/1029608354.db2.gz GOHDGTKMXTZMNK-GOSISDBHSA-N 1 3 363.505 2.776 20 0 FFADHO C[C@H](C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC001157527420 1029608358 /nfs/dbraw/zinc/60/83/58/1029608358.db2.gz GOHDGTKMXTZMNK-GOSISDBHSA-N 1 3 363.505 2.776 20 0 FFADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCc1ccccc1Cl)C2 ZINC001111864525 1029640300 /nfs/dbraw/zinc/64/03/00/1029640300.db2.gz UUCCCKZHQJIQKB-PXNSSMCTSA-N 1 3 363.933 2.805 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)CC1 ZINC001157841240 1029674150 /nfs/dbraw/zinc/67/41/50/1029674150.db2.gz ANVKUOGTXKKVIY-UHFFFAOYSA-N 1 3 369.488 2.747 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc3c(c1)COC3)C2 ZINC001111926908 1029754351 /nfs/dbraw/zinc/75/43/51/1029754351.db2.gz PEAAGRBUYIVBCK-UNMCSNQZSA-N 1 3 371.525 2.529 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc3c(c1)COC3)C2 ZINC001111926908 1029754357 /nfs/dbraw/zinc/75/43/57/1029754357.db2.gz PEAAGRBUYIVBCK-UNMCSNQZSA-N 1 3 371.525 2.529 20 0 FFADHO COc1cc(N(c2ccc(CN(C)C3CC3)cn2)C2CC[NH2+]CC2)ccn1 ZINC001158333742 1029799833 /nfs/dbraw/zinc/79/98/33/1029799833.db2.gz MFVXQJVXTMSREW-UHFFFAOYSA-N 1 3 367.497 2.970 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000841019937 1029980671 /nfs/dbraw/zinc/98/06/71/1029980671.db2.gz OWXUGUCTOPSDJF-HOCLYGCPSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000841019937 1029980683 /nfs/dbraw/zinc/98/06/83/1029980683.db2.gz OWXUGUCTOPSDJF-HOCLYGCPSA-N 1 3 369.431 2.692 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112116830 1030041911 /nfs/dbraw/zinc/04/19/11/1030041911.db2.gz BSHDSUQZSZJALB-ARFHVFGLSA-N 1 3 361.452 2.806 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112116830 1030041930 /nfs/dbraw/zinc/04/19/30/1030041930.db2.gz BSHDSUQZSZJALB-ARFHVFGLSA-N 1 3 361.452 2.806 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112120085 1030046491 /nfs/dbraw/zinc/04/64/91/1030046491.db2.gz BXEYWWQRPHCWCZ-RBSFLKMASA-N 1 3 351.457 2.742 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1 ZINC001112174950 1030148154 /nfs/dbraw/zinc/14/81/54/1030148154.db2.gz CEZBSROTBJVWHW-RBSFLKMASA-N 1 3 367.431 2.588 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000841288695 1030160885 /nfs/dbraw/zinc/16/08/85/1030160885.db2.gz RGLYJJDLTUZMKP-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000841292317 1030167162 /nfs/dbraw/zinc/16/71/62/1030167162.db2.gz URDUPDYMPCVTJY-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO CC(C)[C@H](C(=O)NCCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C ZINC001166010301 1030201740 /nfs/dbraw/zinc/20/17/40/1030201740.db2.gz NVSQEPREXGKYPE-OKZBNKHCSA-N 1 3 367.484 2.717 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)C2CCN(Cc3ccncc3)CC2)c1 ZINC001142347056 1030334034 /nfs/dbraw/zinc/33/40/34/1030334034.db2.gz HNTXZQJMTIJDKZ-UHFFFAOYSA-N 1 3 366.509 2.672 20 0 FFADHO COCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001112353305 1030634103 /nfs/dbraw/zinc/63/41/03/1030634103.db2.gz AYWYYKGQXXHXCG-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO CCCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112399442 1030745021 /nfs/dbraw/zinc/74/50/21/1030745021.db2.gz ULDYSKCWNAMYOD-RXVVDRJESA-N 1 3 365.562 2.506 20 0 FFADHO COc1ccc2c(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc(=O)oc2c1 ZINC000842478971 1030753044 /nfs/dbraw/zinc/75/30/44/1030753044.db2.gz MUJCZOZNRQJICB-GHTZIAJQSA-N 1 3 372.465 2.520 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccnc2)C1 ZINC001112438600 1030811290 /nfs/dbraw/zinc/81/12/90/1030811290.db2.gz HHLHBSKXXFFCFD-RXVVDRJESA-N 1 3 358.530 2.530 20 0 FFADHO O=C(CC[NH+]1CCCCC1)NCCN1CCC(Cc2ccccc2)CC1 ZINC001142919780 1031056420 /nfs/dbraw/zinc/05/64/20/1031056420.db2.gz WCPOSOTXYNKWDI-UHFFFAOYSA-N 1 3 357.542 2.933 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccccn1)CC2 ZINC001204058510 1031069276 /nfs/dbraw/zinc/06/92/76/1031069276.db2.gz UTZXRNYXJWDZEU-OAQYLSRUSA-N 1 3 366.509 2.980 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccccn1)CC2 ZINC001204058510 1031069290 /nfs/dbraw/zinc/06/92/90/1031069290.db2.gz UTZXRNYXJWDZEU-OAQYLSRUSA-N 1 3 366.509 2.980 20 0 FFADHO CN1CCN(Cc2ccc(Nc3cnc4c(c3)C[N@@H+](C)CC4)cc2)CC1 ZINC001204724655 1031416514 /nfs/dbraw/zinc/41/65/14/1031416514.db2.gz KSKTUEGRYXKEKT-UHFFFAOYSA-N 1 3 351.498 2.561 20 0 FFADHO CN1CCN(Cc2ccc(Nc3cnc4c(c3)C[N@H+](C)CC4)cc2)CC1 ZINC001204724655 1031416522 /nfs/dbraw/zinc/41/65/22/1031416522.db2.gz KSKTUEGRYXKEKT-UHFFFAOYSA-N 1 3 351.498 2.561 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC/C=C\Cl)C1 ZINC001205307169 1031661092 /nfs/dbraw/zinc/66/10/92/1031661092.db2.gz SDFNPSTXNOTXFM-GEZJMTEHSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001150154364 1031675280 /nfs/dbraw/zinc/67/52/80/1031675280.db2.gz LARRHZKVTLBKQH-UYAOXDASSA-N 1 3 355.526 2.889 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCF)C1 ZINC001205419555 1031732991 /nfs/dbraw/zinc/73/29/91/1031732991.db2.gz RCNHZTKAWIARSN-ZWKOTPCHSA-N 1 3 367.484 2.800 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001219028316 1033475810 /nfs/dbraw/zinc/47/58/10/1033475810.db2.gz ZGBQYSNXUKRZKI-VQIMIIECSA-N 1 3 351.450 2.643 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(C/C=C\c3ccccc3)[C@H]2C1 ZINC001223838984 1033608549 /nfs/dbraw/zinc/60/85/49/1033608549.db2.gz OKYYHVRZQUVOFF-SVCZWAIESA-N 1 3 355.526 2.964 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(C/C=C\c3ccccc3)[C@H]2C1 ZINC001223838984 1033608556 /nfs/dbraw/zinc/60/85/56/1033608556.db2.gz OKYYHVRZQUVOFF-SVCZWAIESA-N 1 3 355.526 2.964 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000830592241 1033701414 /nfs/dbraw/zinc/70/14/14/1033701414.db2.gz SSWRSFARWQVMRM-LSTHTHJFSA-N 1 3 356.514 2.545 20 0 FFADHO N[C@H](CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC001219610427 1033712114 /nfs/dbraw/zinc/71/21/14/1033712114.db2.gz NVQZOZSDTQVRAU-MFKMUULPSA-N 1 3 370.202 2.794 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668884 1033742318 /nfs/dbraw/zinc/74/23/18/1033742318.db2.gz CXFOLGPPUWQXRI-FRIKZZABSA-N 1 3 369.553 2.978 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224289039 1033830665 /nfs/dbraw/zinc/83/06/65/1033830665.db2.gz FOCPJCDAPKAGGU-QRVBRYPASA-N 1 3 353.526 2.923 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001220161242 1034013974 /nfs/dbraw/zinc/01/39/74/1034013974.db2.gz AVMSUMNVOXMNAO-HBFSDRIKSA-N 1 3 361.555 2.594 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccsc1 ZINC001220611953 1034287064 /nfs/dbraw/zinc/28/70/64/1034287064.db2.gz XTMDDIQRZGUBJP-DOTOQJQBSA-N 1 3 352.548 2.772 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccsc1 ZINC001220611953 1034287079 /nfs/dbraw/zinc/28/70/79/1034287079.db2.gz XTMDDIQRZGUBJP-DOTOQJQBSA-N 1 3 352.548 2.772 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001225758560 1034396653 /nfs/dbraw/zinc/39/66/53/1034396653.db2.gz YJENZZTUWICPKO-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220805417 1034408410 /nfs/dbraw/zinc/40/84/10/1034408410.db2.gz RPBQHJARSLHDSY-JJXSEGSLSA-N 1 3 355.404 2.526 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)N(CC[NH3+])Cc2ccc(CC)cc2)cc1 ZINC001220902896 1034448262 /nfs/dbraw/zinc/44/82/62/1034448262.db2.gz DYIXTOLXVKOOCI-NRFANRHFSA-N 1 3 369.509 2.505 20 0 FFADHO Cc1c(Cl)ccc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)c1C ZINC001277096840 1034512118 /nfs/dbraw/zinc/51/21/18/1034512118.db2.gz CIBOJWYHYHAKPQ-HXUWFJFHSA-N 1 3 363.933 2.943 20 0 FFADHO Cc1c(Cl)ccc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)c1C ZINC001277096840 1034512129 /nfs/dbraw/zinc/51/21/29/1034512129.db2.gz CIBOJWYHYHAKPQ-HXUWFJFHSA-N 1 3 363.933 2.943 20 0 FFADHO COc1ccccc1CC1(CNC(=O)[C@@H](N)CCCC[NH+](C)C)CCC1 ZINC001221164147 1034583621 /nfs/dbraw/zinc/58/36/21/1034583621.db2.gz OSCOXOCQSHXZPA-SFHVURJKSA-N 1 3 361.530 2.583 20 0 FFADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408247 1034719430 /nfs/dbraw/zinc/71/94/30/1034719430.db2.gz HMUIHAAEPJFGBB-YADHBBJMSA-N 1 3 363.505 2.728 20 0 FFADHO CN(CCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)Cc1ccccc1 ZINC001221433448 1034755188 /nfs/dbraw/zinc/75/51/88/1034755188.db2.gz IBSHJGJRLLBGPY-UHFFFAOYSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl)C1CC1 ZINC001226790364 1034842950 /nfs/dbraw/zinc/84/29/50/1034842950.db2.gz AQIFBDSVDMLYMB-KURKYZTESA-N 1 3 364.921 2.592 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001226799927 1034846186 /nfs/dbraw/zinc/84/61/86/1034846186.db2.gz GRJDJJWYEUNXEN-NJYVYQBISA-N 1 3 357.542 2.895 20 0 FFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F)C1CC1 ZINC001226800305 1034846862 /nfs/dbraw/zinc/84/68/62/1034846862.db2.gz JWIHYDKTRLNTEI-AQNXPRMDSA-N 1 3 361.505 2.725 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221553262 1034870715 /nfs/dbraw/zinc/87/07/15/1034870715.db2.gz ZYBZDKJKCMUOLD-RTBURBONSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221553262 1034870725 /nfs/dbraw/zinc/87/07/25/1034870725.db2.gz ZYBZDKJKCMUOLD-RTBURBONSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)OCCCN1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553262 1034870733 /nfs/dbraw/zinc/87/07/33/1034870733.db2.gz ZYBZDKJKCMUOLD-RTBURBONSA-N 1 3 365.562 2.599 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001221574140 1034887679 /nfs/dbraw/zinc/88/76/79/1034887679.db2.gz KMJBSBDWRHWSDM-KRWDZBQOSA-N 1 3 364.559 2.744 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001221588237 1034900758 /nfs/dbraw/zinc/90/07/58/1034900758.db2.gz ZQAUKVBTHZKNFO-GUDVDZBRSA-N 1 3 353.526 2.779 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001221588237 1034900763 /nfs/dbraw/zinc/90/07/63/1034900763.db2.gz ZQAUKVBTHZKNFO-GUDVDZBRSA-N 1 3 353.526 2.779 20 0 FFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1CCn2ccnc21 ZINC001227159400 1034955540 /nfs/dbraw/zinc/95/55/40/1034955540.db2.gz FOVKGFBKOXKIFI-LJQANCHMSA-N 1 3 371.529 2.592 20 0 FFADHO C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1cnccn1 ZINC001227164946 1034957986 /nfs/dbraw/zinc/95/79/86/1034957986.db2.gz MJWNMFSSCQRVLZ-INIZCTEOSA-N 1 3 371.529 2.801 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1 ZINC001227165646 1034958281 /nfs/dbraw/zinc/95/82/81/1034958281.db2.gz OLKIVFVCXIJFMO-RTBURBONSA-N 1 3 361.530 2.943 20 0 FFADHO COc1ccc2[nH]nc(CN3CCC(COCC[NH+]4CCCC4)CC3)c2c1 ZINC001140065821 1035329903 /nfs/dbraw/zinc/32/99/03/1035329903.db2.gz MCCOUSLPDOKMBO-UHFFFAOYSA-N 1 3 372.513 2.896 20 0 FFADHO C[C@@H](CCCNCc1cc(O)ccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277193949 1035490212 /nfs/dbraw/zinc/49/02/12/1035490212.db2.gz QEFWMRDORJPWPT-JJRVBVJISA-N 1 3 367.921 2.760 20 0 FFADHO C[C@@H](CCCNCc1cc(O)ccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277193949 1035490215 /nfs/dbraw/zinc/49/02/15/1035490215.db2.gz QEFWMRDORJPWPT-JJRVBVJISA-N 1 3 367.921 2.760 20 0 FFADHO CCc1onc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001228445267 1036117232 /nfs/dbraw/zinc/11/72/32/1036117232.db2.gz MYWSSUUMGIPBMO-ZHALLVOQSA-N 1 3 364.534 2.649 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCOC1)CC(C)(C)C ZINC001228647474 1036231605 /nfs/dbraw/zinc/23/16/05/1036231605.db2.gz UEMXEJCKCAEHEL-IPMKNSEASA-N 1 3 367.578 2.798 20 0 FFADHO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001228924505 1036410167 /nfs/dbraw/zinc/41/01/67/1036410167.db2.gz FDZSXZLKGDTTGP-XUVXKRRUSA-N 1 3 367.578 2.941 20 0 FFADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC001228932296 1036415455 /nfs/dbraw/zinc/41/54/55/1036415455.db2.gz MSXCZJJNWRMGEZ-QRVBRYPASA-N 1 3 353.551 2.693 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1F ZINC001229213419 1036556359 /nfs/dbraw/zinc/55/63/59/1036556359.db2.gz IUEYBGTYWAQMGD-QZTJIDSGSA-N 1 3 365.493 2.563 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001230206322 1037149555 /nfs/dbraw/zinc/14/95/55/1037149555.db2.gz HHWKNAXLWNXBAD-YZGWKJHDSA-N 1 3 362.562 2.765 20 0 FFADHO Cc1ncccc1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001207149740 1037196057 /nfs/dbraw/zinc/19/60/57/1037196057.db2.gz ZUZOMVIMBHPGFT-YPAWHYETSA-N 1 3 373.541 2.870 20 0 FFADHO CN(C)CC(C)(C)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccn3)CO2)CC1 ZINC001207280374 1037307622 /nfs/dbraw/zinc/30/76/22/1037307622.db2.gz QGNARQVCMAPAIY-FQEVSTJZSA-N 1 3 374.573 2.725 20 0 FFADHO C[NH+]1CCC(C2CCN(Cc3ccccc3NS(C)(=O)=O)CC2)CC1 ZINC001235136123 1037378218 /nfs/dbraw/zinc/37/82/18/1037378218.db2.gz GQGUUIVZRDLGTR-UHFFFAOYSA-N 1 3 365.543 2.612 20 0 FFADHO C[NH+]1CCC(CN2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)CC1 ZINC001207397523 1037416522 /nfs/dbraw/zinc/41/65/22/1037416522.db2.gz NSKIFSSOQGZFGU-OAQYLSRUSA-N 1 3 370.497 2.578 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)CC1 ZINC001207481570 1037480072 /nfs/dbraw/zinc/48/00/72/1037480072.db2.gz LBZAIONPMGUCQH-PWRODBHTSA-N 1 3 359.514 2.562 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(F)c(C)c(F)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235352596 1037498169 /nfs/dbraw/zinc/49/81/69/1037498169.db2.gz OYKXYPXRNZCHQM-KXBFYZLASA-N 1 3 352.425 2.638 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(C)c(F)cc3F)C[C@@H]1CC[NH2+]CC2 ZINC001235351634 1037498215 /nfs/dbraw/zinc/49/82/15/1037498215.db2.gz HBBNHEOKFHPOFY-KXBFYZLASA-N 1 3 352.425 2.638 20 0 FFADHO Cc1cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)ccc1Br ZINC001235366110 1037507267 /nfs/dbraw/zinc/50/72/67/1037507267.db2.gz CXYZLYZCLKQQJD-ZMSDIMECSA-N 1 3 351.288 2.710 20 0 FFADHO [NH3+]C[C@@H]1CCCN1Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001235726437 1037712840 /nfs/dbraw/zinc/71/28/40/1037712840.db2.gz YXTOGLNOHIFVIQ-QFIPXVFZSA-N 1 3 364.537 2.932 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2COc3c(F)cc(F)cc3C2)CC1 ZINC001207775035 1037714369 /nfs/dbraw/zinc/71/43/69/1037714369.db2.gz PKBCKEARXZOYAZ-OHTSDLOESA-N 1 3 366.452 2.891 20 0 FFADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207789610 1037728432 /nfs/dbraw/zinc/72/84/32/1037728432.db2.gz BULDXDLWEULRPX-IEBWSBKVSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207789610 1037728443 /nfs/dbraw/zinc/72/84/43/1037728443.db2.gz BULDXDLWEULRPX-IEBWSBKVSA-N 1 3 367.578 2.749 20 0 FFADHO Cc1cc(Br)c(Cl)cc1CN(C)CCN1CC[NH2+]CC1 ZINC001236081503 1037922968 /nfs/dbraw/zinc/92/29/68/1037922968.db2.gz OYMDLXJURJMKOQ-UHFFFAOYSA-N 1 3 360.727 2.748 20 0 FFADHO CCOC(=O)C1(CC)CCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001236265751 1038009362 /nfs/dbraw/zinc/00/93/62/1038009362.db2.gz LGTPEWNYZXKXTD-UHFFFAOYSA-N 1 3 359.514 2.652 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001208107796 1038040111 /nfs/dbraw/zinc/04/01/11/1038040111.db2.gz ULSIDPBJUIMKJA-CEXWTWQISA-N 1 3 359.514 2.672 20 0 FFADHO C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001208129051 1038067863 /nfs/dbraw/zinc/06/78/63/1038067863.db2.gz NJTCPFWIKCKNTE-YLJYHZDGSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001208129051 1038067881 /nfs/dbraw/zinc/06/78/81/1038067881.db2.gz NJTCPFWIKCKNTE-YLJYHZDGSA-N 1 3 365.562 2.647 20 0 FFADHO Fc1cc(Cl)ccc1CN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236401374 1038073504 /nfs/dbraw/zinc/07/35/04/1038073504.db2.gz RHOCYUWHNBFHJK-UHFFFAOYSA-N 1 3 369.912 2.613 20 0 FFADHO CCN(Cc1ccc(C[NH3+])cc1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001236632879 1038164975 /nfs/dbraw/zinc/16/49/75/1038164975.db2.gz BVQLIHNECGYRIF-QFIPXVFZSA-N 1 3 353.510 2.868 20 0 FFADHO CNc1ccccc1C[N@@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2)C1 ZINC001278895207 1038239541 /nfs/dbraw/zinc/23/95/41/1038239541.db2.gz KPGVQOLRXSJGQF-OAQYLSRUSA-N 1 3 353.514 2.913 20 0 FFADHO CNc1ccccc1C[N@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2)C1 ZINC001278895207 1038239544 /nfs/dbraw/zinc/23/95/44/1038239544.db2.gz KPGVQOLRXSJGQF-OAQYLSRUSA-N 1 3 353.514 2.913 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CCC([NH+](C)C)CC2)CC1 ZINC001255930070 1038258088 /nfs/dbraw/zinc/25/80/88/1038258088.db2.gz LIPMKXPJNCOYMA-UHFFFAOYSA-N 1 3 361.530 2.694 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001255941695 1038266713 /nfs/dbraw/zinc/26/67/13/1038266713.db2.gz XEHNSZJYXMDXRO-SJORKVTESA-N 1 3 369.550 2.722 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001255962815 1038278749 /nfs/dbraw/zinc/27/87/49/1038278749.db2.gz ZXIQMLLWZARAQY-CEMLEFRQSA-N 1 3 374.573 2.725 20 0 FFADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208435003 1038312628 /nfs/dbraw/zinc/31/26/28/1038312628.db2.gz NQQGIYQWQBWWIL-NIKGAXFTSA-N 1 3 359.489 2.591 20 0 FFADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208619710 1038451516 /nfs/dbraw/zinc/45/15/16/1038451516.db2.gz JHQRLLSOQUYPHZ-JFDOBCTDSA-N 1 3 353.526 2.992 20 0 FFADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208619710 1038451518 /nfs/dbraw/zinc/45/15/18/1038451518.db2.gz JHQRLLSOQUYPHZ-JFDOBCTDSA-N 1 3 353.526 2.992 20 0 FFADHO COc1ccc(NC(=O)NC2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208619226 1038451940 /nfs/dbraw/zinc/45/19/40/1038451940.db2.gz XCDQOPAEXZYONE-MRXNPFEDSA-N 1 3 360.502 2.623 20 0 FFADHO COc1ccc(NC(=O)NC2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208619226 1038451942 /nfs/dbraw/zinc/45/19/42/1038451942.db2.gz XCDQOPAEXZYONE-MRXNPFEDSA-N 1 3 360.502 2.623 20 0 FFADHO CN(C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001256444609 1038515372 /nfs/dbraw/zinc/51/53/72/1038515372.db2.gz IDTTXNQUWBEDDQ-BQJUDKOJSA-N 1 3 370.541 2.633 20 0 FFADHO CN(C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001256444609 1038515377 /nfs/dbraw/zinc/51/53/77/1038515377.db2.gz IDTTXNQUWBEDDQ-BQJUDKOJSA-N 1 3 370.541 2.633 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCCc1ccc(F)cc1)CC2 ZINC001208765149 1038519410 /nfs/dbraw/zinc/51/94/10/1038519410.db2.gz IVNGXNRUTSQCKE-UHFFFAOYSA-N 1 3 371.500 2.582 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCCc1ccc(F)cc1)CC2 ZINC001208765149 1038519423 /nfs/dbraw/zinc/51/94/23/1038519423.db2.gz IVNGXNRUTSQCKE-UHFFFAOYSA-N 1 3 371.500 2.582 20 0 FFADHO c1ccc(CN2CCC([NH+]3CCN(CCc4ccccn4)CC3)CC2)cc1 ZINC001256610264 1038580528 /nfs/dbraw/zinc/58/05/28/1038580528.db2.gz APRLUIUEZKPRRQ-UHFFFAOYSA-N 1 3 364.537 2.906 20 0 FFADHO CC(C)(C)OC(=O)NCCCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256676275 1038598416 /nfs/dbraw/zinc/59/84/16/1038598416.db2.gz ATVYXGLSSIYJJF-UHFFFAOYSA-N 1 3 369.550 2.914 20 0 FFADHO COc1cccc(N(C2CC[NH2+]CC2)C2CCC(N3CCOCC3)CC2)c1 ZINC001256696304 1038606313 /nfs/dbraw/zinc/60/63/13/1038606313.db2.gz ZWDDHKPBALWZGY-UHFFFAOYSA-N 1 3 373.541 2.897 20 0 FFADHO Cc1cncnc1O[C@H]1CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956483 1038606658 /nfs/dbraw/zinc/60/66/58/1038606658.db2.gz AWLXNTRQWUHCLF-PMACEKPBSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cncnc1O[C@H]1CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956483 1038606661 /nfs/dbraw/zinc/60/66/61/1038606661.db2.gz AWLXNTRQWUHCLF-PMACEKPBSA-N 1 3 352.482 2.760 20 0 FFADHO CCN1CC2(CC1=O)CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208962306 1038609446 /nfs/dbraw/zinc/60/94/46/1038609446.db2.gz JFXLYMCSWNYPED-HXUWFJFHSA-N 1 3 355.526 2.843 20 0 FFADHO CCN1CC2(CC1=O)CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208962306 1038609450 /nfs/dbraw/zinc/60/94/50/1038609450.db2.gz JFXLYMCSWNYPED-HXUWFJFHSA-N 1 3 355.526 2.843 20 0 FFADHO COCOCCC[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001209026119 1038637927 /nfs/dbraw/zinc/63/79/27/1038637927.db2.gz NXPIQGXSCXOKEM-QGZVFWFLSA-N 1 3 368.543 2.814 20 0 FFADHO FC(F)(F)c1nn(C2CCN(c3cc[nH+]cc3)CC2)c2c1CNCC2 ZINC001256862126 1038638510 /nfs/dbraw/zinc/63/85/10/1038638510.db2.gz IOOJMRUUOBCOHQ-UHFFFAOYSA-N 1 3 351.376 2.784 20 0 FFADHO COC(=O)CCCCCCCCCN1CCN(CCC[NH+](C)C)CC1 ZINC001209097761 1038664335 /nfs/dbraw/zinc/66/43/35/1038664335.db2.gz NJVSTPGMGAEJFL-UHFFFAOYSA-N 1 3 355.567 2.850 20 0 FFADHO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC001256998399 1038675757 /nfs/dbraw/zinc/67/57/57/1038675757.db2.gz JVJHMKIWRGPDLA-SJORKVTESA-N 1 3 368.518 2.504 20 0 FFADHO Cc1ccc(CC[NH+]2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC001276621966 1038699718 /nfs/dbraw/zinc/69/97/18/1038699718.db2.gz VNTYUBRNXUBBIH-UHFFFAOYSA-N 1 3 357.542 2.804 20 0 FFADHO NC(=O)C1CCN(C2CC[NH+](CCCCOCc3ccccc3)CC2)CC1 ZINC001209265923 1038739140 /nfs/dbraw/zinc/73/91/40/1038739140.db2.gz WPWWTPHZZHJMKH-UHFFFAOYSA-N 1 3 373.541 2.645 20 0 FFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3ccnc(Cl)c3)C2)C1 ZINC001279004868 1038759354 /nfs/dbraw/zinc/75/93/54/1038759354.db2.gz WHWLPBFHCJUYHO-LJQANCHMSA-N 1 3 350.938 2.975 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)N(C)C)cc1 ZINC001251372660 1039096443 /nfs/dbraw/zinc/09/64/43/1039096443.db2.gz VMDYWJVHFOIUME-QAPCUYQASA-N 1 3 364.559 2.652 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)N(C)C)cc1 ZINC001251372660 1039096461 /nfs/dbraw/zinc/09/64/61/1039096461.db2.gz VMDYWJVHFOIUME-QAPCUYQASA-N 1 3 364.559 2.652 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCSc1ccc(Cl)cc1 ZINC001245981929 1039174113 /nfs/dbraw/zinc/17/41/13/1039174113.db2.gz DGUNOTPLZCGTIC-ZWKOTPCHSA-N 1 3 350.915 2.953 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001245983800 1039176490 /nfs/dbraw/zinc/17/64/90/1039176490.db2.gz ONTBHNLDMYAAKE-MELADBBJSA-N 1 3 361.313 2.849 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001246021618 1039196606 /nfs/dbraw/zinc/19/66/06/1039196606.db2.gz UBYLPEJKIYEANI-FCGDIQPGSA-N 1 3 366.839 2.995 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001246021618 1039196612 /nfs/dbraw/zinc/19/66/12/1039196612.db2.gz UBYLPEJKIYEANI-FCGDIQPGSA-N 1 3 366.839 2.995 20 0 FFADHO O[C@@H](COc1ccc(F)cc1)CN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246046260 1039213623 /nfs/dbraw/zinc/21/36/23/1039213623.db2.gz NJVXQXZEYAKHHZ-LJQANCHMSA-N 1 3 370.468 2.702 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001246047672 1039218645 /nfs/dbraw/zinc/21/86/45/1039218645.db2.gz WGNGRUMBTITOOB-RYGJVYDSSA-N 1 3 364.411 2.824 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001246047672 1039218649 /nfs/dbraw/zinc/21/86/49/1039218649.db2.gz WGNGRUMBTITOOB-RYGJVYDSSA-N 1 3 364.411 2.824 20 0 FFADHO COc1ccc(C[C@@H](C)N(Cc2ccccc2)C[C@]2(O)CC[NH2+]C2)cc1 ZINC001246050873 1039221165 /nfs/dbraw/zinc/22/11/65/1039221165.db2.gz GWVOFRCOXCSTEC-GCJKJVERSA-N 1 3 354.494 2.853 20 0 FFADHO COc1ccc2cc(CC[C@H](C)[NH2+]C[C@]3(O)CCNC[C@@H]3F)ccc2c1 ZINC001246084458 1039239524 /nfs/dbraw/zinc/23/95/24/1039239524.db2.gz SJSVRMJLIDUDKT-ONGXBYRLSA-N 1 3 360.473 2.822 20 0 FFADHO CN1CCN(c2ccccc2CN[C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246180587 1039269292 /nfs/dbraw/zinc/26/92/92/1039269292.db2.gz LSFSHOCFKIGVFO-HXUWFJFHSA-N 1 3 356.558 2.983 20 0 FFADHO c1ccc([C@@H]2C[C@@H](NCCN3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC001246195774 1039272451 /nfs/dbraw/zinc/27/24/51/1039272451.db2.gz PLJCKQIKPIXOLG-GMAHTHKFSA-N 1 3 364.537 2.892 20 0 FFADHO COC(=O)c1ccc(CC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246316658 1039311583 /nfs/dbraw/zinc/31/15/83/1039311583.db2.gz JVUNZRLFWVXBNX-NHCUHLMSSA-N 1 3 352.478 2.969 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CCCCN1CN[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246350623 1039319451 /nfs/dbraw/zinc/31/94/51/1039319451.db2.gz NMHQDUSXDVNYNF-IAGOWNOFSA-N 1 3 351.535 2.652 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](C3CCC(OC(C)C)CC3)C[C@@H]1CNCCC2 ZINC001246592478 1039406263 /nfs/dbraw/zinc/40/62/63/1039406263.db2.gz BXPLFUAPPRHMKN-NNZWXOEDSA-N 1 3 352.519 2.587 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](C3CCC(OC(C)C)CC3)C[C@@H]1CNCCC2 ZINC001246592478 1039406267 /nfs/dbraw/zinc/40/62/67/1039406267.db2.gz BXPLFUAPPRHMKN-NNZWXOEDSA-N 1 3 352.519 2.587 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1[C@@H]1CCc3c(cccc3OC)C1)CC[NH2+]CC2 ZINC001246599339 1039408947 /nfs/dbraw/zinc/40/89/47/1039408947.db2.gz CLAHXZRFHVJYKK-IEBWSBKVSA-N 1 3 372.509 2.560 20 0 FFADHO c1ccc([C@@H]2CC[C@H](N3CCN(C4=NOC5(C4)CC[NH2+]CC5)CC3)C2)cc1 ZINC001246658175 1039429680 /nfs/dbraw/zinc/42/96/80/1039429680.db2.gz OBDGKPKVSFBRNU-UXHICEINSA-N 1 3 368.525 2.796 20 0 FFADHO CN1C[C@H](c2ccccc2)C2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1=O ZINC001246744146 1039458992 /nfs/dbraw/zinc/45/89/92/1039458992.db2.gz JQVLSNYJUNUNAM-JIRNRHONSA-N 1 3 353.510 2.607 20 0 FFADHO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCN[C@H](C)C3)O2)cs1 ZINC001246762692 1039470417 /nfs/dbraw/zinc/47/04/17/1039470417.db2.gz XOLZJDCDLSRGNL-WHJMJZORSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CCN[C@H](C)C3)O2)cs1 ZINC001246762692 1039470420 /nfs/dbraw/zinc/47/04/20/1039470420.db2.gz XOLZJDCDLSRGNL-WHJMJZORSA-N 1 3 365.543 2.731 20 0 FFADHO CC[NH+]1CCC(N2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246804823 1039487227 /nfs/dbraw/zinc/48/72/27/1039487227.db2.gz HFJRJICSCVFBTC-KRWDZBQOSA-N 1 3 352.320 2.880 20 0 FFADHO CCC[NH+]1CCC(N2CCC3(CCN(CC(F)(F)F)C3=O)CC2)CC1 ZINC001258776492 1039509164 /nfs/dbraw/zinc/50/91/64/1039509164.db2.gz CLDBOMQBEWLDPW-UHFFFAOYSA-N 1 3 361.452 2.738 20 0 FFADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C1)C2 ZINC001246881555 1039518070 /nfs/dbraw/zinc/51/80/70/1039518070.db2.gz UUKBZIMRNCGSKP-MLMYQEDESA-N 1 3 354.494 2.865 20 0 FFADHO CC[NH+]1CCC(CC2CCN([C@H]3CN[C@](CC)(C(=O)OC)C3)CC2)CC1 ZINC001246901119 1039524074 /nfs/dbraw/zinc/52/40/74/1039524074.db2.gz KZBVDUALFJNULX-CTNGQTDRSA-N 1 3 365.562 2.504 20 0 FFADHO O[C@@H](COCc1ccco1)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001252640729 1039625782 /nfs/dbraw/zinc/62/57/82/1039625782.db2.gz UZHHOFCKJDESFE-HXUWFJFHSA-N 1 3 370.493 2.755 20 0 FFADHO CCCC[C@H](CC)COC[C@H](O)CN(CCOC)C1CC[NH+](C)CC1 ZINC001253002486 1039905422 /nfs/dbraw/zinc/90/54/22/1039905422.db2.gz PEIGMRFLMIVFHT-AZUAARDMSA-N 1 3 358.567 2.623 20 0 FFADHO Fc1ccc(Oc2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247830120 1039977736 /nfs/dbraw/zinc/97/77/36/1039977736.db2.gz LVTKQCMPZICCRW-KRWDZBQOSA-N 1 3 366.396 2.944 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211292859 1040066507 /nfs/dbraw/zinc/06/65/07/1040066507.db2.gz STOMLDCGJNQSIM-YLJYHZDGSA-N 1 3 361.530 2.613 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211292859 1040066521 /nfs/dbraw/zinc/06/65/21/1040066521.db2.gz STOMLDCGJNQSIM-YLJYHZDGSA-N 1 3 361.530 2.613 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001253404615 1040155261 /nfs/dbraw/zinc/15/52/61/1040155261.db2.gz AHNPIFMXOSMTPB-NXOAAHMSSA-N 1 3 369.550 2.503 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001253404615 1040155272 /nfs/dbraw/zinc/15/52/72/1040155272.db2.gz AHNPIFMXOSMTPB-NXOAAHMSSA-N 1 3 369.550 2.503 20 0 FFADHO Cc1ccc(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)nc1 ZINC001278727350 1040242708 /nfs/dbraw/zinc/24/27/08/1040242708.db2.gz CQEYCKATCJGLNV-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1ccc(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)nc1 ZINC001278727350 1040242714 /nfs/dbraw/zinc/24/27/14/1040242714.db2.gz CQEYCKATCJGLNV-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253636139 1040272478 /nfs/dbraw/zinc/27/24/78/1040272478.db2.gz LHZIVZZZISQWCF-JAXLGGSGSA-N 1 3 374.525 2.820 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253636139 1040272492 /nfs/dbraw/zinc/27/24/92/1040272492.db2.gz LHZIVZZZISQWCF-JAXLGGSGSA-N 1 3 374.525 2.820 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221664 1040348203 /nfs/dbraw/zinc/34/82/03/1040348203.db2.gz MFXQKAHPAQKNIV-YZBXUTEPSA-N 1 3 365.562 2.813 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001254023828 1040526968 /nfs/dbraw/zinc/52/69/68/1040526968.db2.gz REGXTKWSRDFZRP-OKZBNKHCSA-N 1 3 350.503 2.676 20 0 FFADHO OC1(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254040695 1040539886 /nfs/dbraw/zinc/53/98/86/1040539886.db2.gz VXUSWVNCMIJSFU-LJQANCHMSA-N 1 3 362.489 2.607 20 0 FFADHO C[N@@H+]1CCC[C@@H](N2CCC3(CC2)CN(Cc2ccccc2)CCO3)CC1 ZINC001254520483 1040768988 /nfs/dbraw/zinc/76/89/88/1040768988.db2.gz DVUIJIOGWKUXIL-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO C[N@H+]1CCC[C@@H](N2CCC3(CC2)CN(Cc2ccccc2)CCO3)CC1 ZINC001254520483 1040769000 /nfs/dbraw/zinc/76/90/00/1040769000.db2.gz DVUIJIOGWKUXIL-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO CN(C)C(=O)C1CCN(C2CC[NH+](Cc3cccc4c3CCC4)CC2)CC1 ZINC001249457336 1040774216 /nfs/dbraw/zinc/77/42/16/1040774216.db2.gz BTWSRRXJALRYHY-UHFFFAOYSA-N 1 3 369.553 2.940 20 0 FFADHO COCCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254529145 1040782940 /nfs/dbraw/zinc/78/29/40/1040782940.db2.gz DSDHLUQHTUFBPJ-MSOLQXFVSA-N 1 3 369.550 2.819 20 0 FFADHO COCCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254529145 1040782958 /nfs/dbraw/zinc/78/29/58/1040782958.db2.gz DSDHLUQHTUFBPJ-MSOLQXFVSA-N 1 3 369.550 2.819 20 0 FFADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)c1ccccc1C ZINC001254570673 1040808678 /nfs/dbraw/zinc/80/86/78/1040808678.db2.gz ZTTQBRAZEBXMNR-UHFFFAOYSA-N 1 3 369.575 2.669 20 0 FFADHO CCN1CCc2ccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cc21 ZINC001249671579 1040926930 /nfs/dbraw/zinc/92/69/30/1040926930.db2.gz UBYOAJTXUSNVJI-UHFFFAOYSA-N 1 3 356.558 2.528 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)CCN1Cc1ccccc1 ZINC001261376694 1041198379 /nfs/dbraw/zinc/19/83/79/1041198379.db2.gz WMHFIFYMPXXVDF-ICSRJNTNSA-N 1 3 370.541 2.825 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C1 ZINC001255337245 1041273816 /nfs/dbraw/zinc/27/38/16/1041273816.db2.gz INYWHIBEECRBSK-SFTDATJTSA-N 1 3 373.541 2.646 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001214755193 1041563893 /nfs/dbraw/zinc/56/38/93/1041563893.db2.gz VIHJNQRYVGTVFL-AYOQOUSVSA-N 1 3 367.484 2.751 20 0 FFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214863776 1041600147 /nfs/dbraw/zinc/60/01/47/1041600147.db2.gz VYSHMTTWKLKHOA-WIYYLYMNSA-N 1 3 357.542 2.848 20 0 FFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001214996839 1041638778 /nfs/dbraw/zinc/63/87/78/1041638778.db2.gz DMFGAEINHSKQBB-YLJYHZDGSA-N 1 3 359.558 2.958 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)C(C)(C)[C@@H]3c3ccncc3)C[C@@H]2C1 ZINC001262482882 1041700019 /nfs/dbraw/zinc/70/00/19/1041700019.db2.gz OUYYXAQHPTUFAP-HCXYKTFWSA-N 1 3 356.514 2.611 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCC2)C1 ZINC001215973099 1041921138 /nfs/dbraw/zinc/92/11/38/1041921138.db2.gz QDFPSIZVGVUHOZ-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)c2F)C1 ZINC001216217285 1041980735 /nfs/dbraw/zinc/98/07/35/1041980735.db2.gz ORJNXYZAPYRNJF-CZUORRHYSA-N 1 3 355.885 2.757 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cccc(Cl)c2F)C1 ZINC001216217285 1041980742 /nfs/dbraw/zinc/98/07/42/1041980742.db2.gz ORJNXYZAPYRNJF-CZUORRHYSA-N 1 3 355.885 2.757 20 0 FFADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc2c(c1)OCCNC2 ZINC001263092721 1042097790 /nfs/dbraw/zinc/09/77/90/1042097790.db2.gz CGQXPWVBABGIRE-HXUWFJFHSA-N 1 3 365.477 2.736 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)OCC[NH2+]C2 ZINC001263092721 1042097794 /nfs/dbraw/zinc/09/77/94/1042097794.db2.gz CGQXPWVBABGIRE-HXUWFJFHSA-N 1 3 365.477 2.736 20 0 FFADHO Cc1nc(C)c(CNCCC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001264019651 1042585371 /nfs/dbraw/zinc/58/53/71/1042585371.db2.gz DIACDDKCMLIVLW-CRAIPNDOSA-N 1 3 364.534 2.740 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3)C2)C1 ZINC001264478944 1042689556 /nfs/dbraw/zinc/68/95/56/1042689556.db2.gz VSDWZUDCXHJQHT-ZRGWGRIASA-N 1 3 365.468 2.681 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3)C2)C1 ZINC001264478943 1042689640 /nfs/dbraw/zinc/68/96/40/1042689640.db2.gz VSDWZUDCXHJQHT-YZVOILCLSA-N 1 3 365.468 2.681 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1cncs1 ZINC001264578781 1042727099 /nfs/dbraw/zinc/72/70/99/1042727099.db2.gz CWQGSWSWGIFGCV-SJLPKXTDSA-N 1 3 366.575 2.980 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1Cc1cccnc1C ZINC001264611311 1042743591 /nfs/dbraw/zinc/74/35/91/1042743591.db2.gz BUOHFAQSHSCNLP-SLFFLAALSA-N 1 3 358.530 2.734 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CCN1Cc1cccnc1C ZINC001264611311 1042743596 /nfs/dbraw/zinc/74/35/96/1042743596.db2.gz BUOHFAQSHSCNLP-SLFFLAALSA-N 1 3 358.530 2.734 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3C)CC[C@@H]2C1 ZINC001264655497 1042772289 /nfs/dbraw/zinc/77/22/89/1042772289.db2.gz CJEWYLXXESZKTA-MOPGFXCFSA-N 1 3 361.505 2.756 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3C)CC[C@@H]2C1 ZINC001264655497 1042772295 /nfs/dbraw/zinc/77/22/95/1042772295.db2.gz CJEWYLXXESZKTA-MOPGFXCFSA-N 1 3 361.505 2.756 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2cc(C)ccc2F)C2CC2)CC[N@@H+]1C ZINC001265355958 1042853826 /nfs/dbraw/zinc/85/38/26/1042853826.db2.gz GQRIFKILHSIMNA-YSIASYRMSA-N 1 3 361.505 2.849 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2cc(C)ccc2F)C2CC2)CC[N@H+]1C ZINC001265355958 1042853829 /nfs/dbraw/zinc/85/38/29/1042853829.db2.gz GQRIFKILHSIMNA-YSIASYRMSA-N 1 3 361.505 2.849 20 0 FFADHO Cc1cccc(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)n1 ZINC001279177603 1042933915 /nfs/dbraw/zinc/93/39/15/1042933915.db2.gz LNUXPPLODODTMY-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cccc(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)n1 ZINC001279177603 1042933918 /nfs/dbraw/zinc/93/39/18/1042933918.db2.gz LNUXPPLODODTMY-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1cc(C)c(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)cc1C ZINC001279267733 1042975306 /nfs/dbraw/zinc/97/53/06/1042975306.db2.gz RRRCGSGEDKRCPN-UHFFFAOYSA-N 1 3 357.542 2.988 20 0 FFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ncccc4F)C[C@H]3CC2)[nH]1 ZINC001279414363 1043081035 /nfs/dbraw/zinc/08/10/35/1043081035.db2.gz FELAMSQIMMXLGE-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4ncccc4F)C[C@H]3CC2)[nH]1 ZINC001279414363 1043081050 /nfs/dbraw/zinc/08/10/50/1043081050.db2.gz FELAMSQIMMXLGE-IYBDPMFKSA-N 1 3 356.445 2.665 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CCC12C[NH2+]C2 ZINC001237429745 1043155387 /nfs/dbraw/zinc/15/53/87/1043155387.db2.gz JDSFREXYLGZCOE-OAHLLOKOSA-N 1 3 372.387 2.560 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2c[nH]c3c2cccc3Cl)CCC12C[NH2+]C2 ZINC001237432077 1043158626 /nfs/dbraw/zinc/15/86/26/1043158626.db2.gz VUNPFPFDIFAOTO-OAHLLOKOSA-N 1 3 361.873 2.796 20 0 FFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cc(F)c(F)cc3N)C2)C1 ZINC001279497187 1043188293 /nfs/dbraw/zinc/18/82/93/1043188293.db2.gz ADHXOCKDTAFBIT-FQEVSTJZSA-N 1 3 366.500 2.787 20 0 FFADHO CN1CCC[C@@H](C[NH2+][C@@]23CC[C@@](NCc4cccc(=O)[nH]4)(C2)CCC3)C1 ZINC001279501010 1043194487 /nfs/dbraw/zinc/19/44/87/1043194487.db2.gz AXWDDDJZGTWPTC-DZFGPLHGSA-N 1 3 358.530 2.654 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1c[nH]nc1-c1cccs1)C2 ZINC001279527633 1043227820 /nfs/dbraw/zinc/22/78/20/1043227820.db2.gz URHCFGSZWQXSOQ-HXUWFJFHSA-N 1 3 373.570 2.988 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1c[nH]nc1-c1cccs1)C2 ZINC001279527633 1043227834 /nfs/dbraw/zinc/22/78/34/1043227834.db2.gz URHCFGSZWQXSOQ-HXUWFJFHSA-N 1 3 373.570 2.988 20 0 FFADHO COc1cc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)ccc1OC(C)C ZINC001279598104 1043316007 /nfs/dbraw/zinc/31/60/07/1043316007.db2.gz BPVUSFPPICFWAT-RBUKOAKNSA-N 1 3 361.530 2.550 20 0 FFADHO COc1cc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)ccc1OC(C)C ZINC001279598104 1043316010 /nfs/dbraw/zinc/31/60/10/1043316010.db2.gz BPVUSFPPICFWAT-RBUKOAKNSA-N 1 3 361.530 2.550 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3c[nH]nc3C(C)(C)C)(C1)CCC2 ZINC001279600150 1043319850 /nfs/dbraw/zinc/31/98/50/1043319850.db2.gz UKLVKCLFWJPASG-UXHICEINSA-N 1 3 364.534 2.852 20 0 FFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cccn1-c1ccccc1F)C2 ZINC001279604712 1043327957 /nfs/dbraw/zinc/32/79/57/1043327957.db2.gz PNRJSCMKBAEKQT-MJGOQNOKSA-N 1 3 356.489 2.684 20 0 FFADHO CCCn1ncc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)c1C ZINC001279607986 1043332393 /nfs/dbraw/zinc/33/23/93/1043332393.db2.gz ACJOBOBJSGRZQS-OAQYLSRUSA-N 1 3 361.578 2.841 20 0 FFADHO CCCn1ncc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)c1C ZINC001279607986 1043332399 /nfs/dbraw/zinc/33/23/99/1043332399.db2.gz ACJOBOBJSGRZQS-OAQYLSRUSA-N 1 3 361.578 2.841 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(-c4ccccn4)n3)CC2)CC1 ZINC001237837579 1043392215 /nfs/dbraw/zinc/39/22/15/1043392215.db2.gz SSFIALPLQBWSEY-UHFFFAOYSA-N 1 3 365.525 2.603 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC001279677143 1043450443 /nfs/dbraw/zinc/45/04/43/1043450443.db2.gz BXOIQTYNAAZDTM-UHFFFAOYSA-N 1 3 355.526 2.940 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccnc4c(Cl)cccc34)[C@@H]2C1 ZINC001279686315 1043467872 /nfs/dbraw/zinc/46/78/72/1043467872.db2.gz UZCVXEAACUASLK-QFBILLFUSA-N 1 3 358.917 2.956 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccnc4c(Cl)cccc34)[C@@H]2C1 ZINC001279686315 1043467874 /nfs/dbraw/zinc/46/78/74/1043467874.db2.gz UZCVXEAACUASLK-QFBILLFUSA-N 1 3 358.917 2.956 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2cccc(N)c2)CC3)n(C)n1 ZINC001279699424 1043492270 /nfs/dbraw/zinc/49/22/70/1043492270.db2.gz KRFMBRKXWLROFO-UHFFFAOYSA-N 1 3 353.514 2.799 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cc(F)cc(N(C)C)c1)CC2 ZINC001279804028 1043671154 /nfs/dbraw/zinc/67/11/54/1043671154.db2.gz OKVRBRUTKPQZSZ-UHFFFAOYSA-N 1 3 362.537 2.741 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cc(F)cc(N(C)C)c1)CC2 ZINC001279804028 1043671161 /nfs/dbraw/zinc/67/11/61/1043671161.db2.gz OKVRBRUTKPQZSZ-UHFFFAOYSA-N 1 3 362.537 2.741 20 0 FFADHO Cc1csc(CN2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)c1Cl ZINC001279875229 1043821449 /nfs/dbraw/zinc/82/14/49/1043821449.db2.gz IEJOZAVSXTYXDT-FZKQIMNGSA-N 1 3 367.946 2.742 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(CC)[C@H]2CC[N@H+](CC)C2)N(C)C)cc1 ZINC001311570139 1043940090 /nfs/dbraw/zinc/94/00/90/1043940090.db2.gz DYABIEJFTXSDDW-VQTJNVASSA-N 1 3 360.546 2.977 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)N(C)C)cc1 ZINC001311570139 1043940103 /nfs/dbraw/zinc/94/01/03/1043940103.db2.gz DYABIEJFTXSDDW-VQTJNVASSA-N 1 3 360.546 2.977 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1ccccc1Cl)C2 ZINC001279948786 1043968946 /nfs/dbraw/zinc/96/89/46/1043968946.db2.gz MOLHDLQVQCKLBH-YLJYHZDGSA-N 1 3 363.933 2.962 20 0 FFADHO CN(C)CCN(C(=O)Nc1ccccc1OC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC001239307512 1044097661 /nfs/dbraw/zinc/09/76/61/1044097661.db2.gz DPVIDTVZPKAAKH-ZDUSSCGKSA-N 1 3 374.407 2.733 20 0 FFADHO COc1c(C)cnc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1C ZINC001280066737 1044160277 /nfs/dbraw/zinc/16/02/77/1044160277.db2.gz LTXGVLCBHLJNHB-UHFFFAOYSA-N 1 3 360.546 2.557 20 0 FFADHO COc1c(C)cnc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1C ZINC001280066737 1044160285 /nfs/dbraw/zinc/16/02/85/1044160285.db2.gz LTXGVLCBHLJNHB-UHFFFAOYSA-N 1 3 360.546 2.557 20 0 FFADHO CNC(=O)C(C)(C)N1CCC2(CCC[N@H+](Cc3scnc3C)C2)CC1 ZINC001280074196 1044172469 /nfs/dbraw/zinc/17/24/69/1044172469.db2.gz AWUZMMHXEZYUPN-UHFFFAOYSA-N 1 3 364.559 2.654 20 0 FFADHO CNC(=O)C(C)(C)N1CCC2(CCC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001280074196 1044172474 /nfs/dbraw/zinc/17/24/74/1044172474.db2.gz AWUZMMHXEZYUPN-UHFFFAOYSA-N 1 3 364.559 2.654 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001313184674 1044264077 /nfs/dbraw/zinc/26/40/77/1044264077.db2.gz HVTSSGHNOISNEB-PMACEKPBSA-N 1 3 358.530 2.695 20 0 FFADHO CN1CCN(Cc2cccc(-c3ccccc3N3CC[NH2+]CC3)c2)CC1 ZINC001240299633 1044304831 /nfs/dbraw/zinc/30/48/31/1044304831.db2.gz RISWBYZGJRWAQM-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO CN1CCN(Cc2cccc(-c3cccc(CN4CC[C@@H]([NH3+])C4)c3)c2)CC1 ZINC001240303575 1044307616 /nfs/dbraw/zinc/30/76/16/1044307616.db2.gz HHUMEKWYMBKGAP-HSZRJFAPSA-N 1 3 364.537 2.634 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001313315695 1044310758 /nfs/dbraw/zinc/31/07/58/1044310758.db2.gz LIPOHYSIUZCCHS-LWSMDNFKSA-N 1 3 350.551 2.621 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001313315695 1044310767 /nfs/dbraw/zinc/31/07/67/1044310767.db2.gz LIPOHYSIUZCCHS-LWSMDNFKSA-N 1 3 350.551 2.621 20 0 FFADHO c1ccc(CN2CC=C(c3ccc(O[C@H]4CCC[NH2+]C4)nn3)CC2)cc1 ZINC001241502826 1044530584 /nfs/dbraw/zinc/53/05/84/1044530584.db2.gz WWQGNQLDDDNSLF-IBGZPJMESA-N 1 3 350.466 2.897 20 0 FFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)CC2)CC1 ZINC001318543787 1044739849 /nfs/dbraw/zinc/73/98/49/1044739849.db2.gz CETBBILCQZDCAW-WZOJCFFYSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(C)Cc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001316825006 1045034064 /nfs/dbraw/zinc/03/40/64/1045034064.db2.gz ZTBAIUVMRFSNON-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCN(C)Cc2ccccc2OC2CC2)CC[N@H+]1C ZINC001316825006 1045034083 /nfs/dbraw/zinc/03/40/83/1045034083.db2.gz ZTBAIUVMRFSNON-VQIMIIECSA-N 1 3 359.514 2.506 20 0 FFADHO C[C@H](CNCc1c(F)cccc1Cl)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319188327 1045061129 /nfs/dbraw/zinc/06/11/29/1045061129.db2.gz DKTYFEVIFFBKLX-MGPQQGTHSA-N 1 3 355.885 2.661 20 0 FFADHO C[C@H](CNCc1c(F)cccc1Cl)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319188327 1045061139 /nfs/dbraw/zinc/06/11/39/1045061139.db2.gz DKTYFEVIFFBKLX-MGPQQGTHSA-N 1 3 355.885 2.661 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[NH2+]C(C)(C)C ZINC001318401810 1045291430 /nfs/dbraw/zinc/29/14/30/1045291430.db2.gz RLKBBBMSALYEBN-UHFFFAOYSA-N 1 3 359.436 2.984 20 0 FFADHO CO[C@]1(C)C[C@H](NCC2(C[NH2+][C@@H]3C[C@](C)(OC)C3(C)C)COC2)C1(C)C ZINC001324438786 1046031423 /nfs/dbraw/zinc/03/14/23/1046031423.db2.gz UEFXXXWOGQTCAD-OBMJPTGESA-N 1 3 368.562 2.589 20 0 FFADHO CO[C@]1(C)C[C@H]([NH2+]CC2(CN[C@@H]3C[C@](C)(OC)C3(C)C)COC2)C1(C)C ZINC001324438786 1046031437 /nfs/dbraw/zinc/03/14/37/1046031437.db2.gz UEFXXXWOGQTCAD-OBMJPTGESA-N 1 3 368.562 2.589 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cnc(C)s2)C(C)(C)C)CC[N@@H+]1C ZINC001284590355 1046582100 /nfs/dbraw/zinc/58/21/00/1046582100.db2.gz OHWRBGNNYMRPDB-BBWFWOEESA-N 1 3 366.575 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cnc(C)s2)C(C)(C)C)CC[N@H+]1C ZINC001284590355 1046582115 /nfs/dbraw/zinc/58/21/15/1046582115.db2.gz OHWRBGNNYMRPDB-BBWFWOEESA-N 1 3 366.575 2.802 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2ncccc2C)C(C)(C)C)CC[N@@H+]1C ZINC001284587594 1046582684 /nfs/dbraw/zinc/58/26/84/1046582684.db2.gz ANJRPRDJPXJJNH-UHOSZYNNSA-N 1 3 360.546 2.741 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2ncccc2C)C(C)(C)C)CC[N@H+]1C ZINC001284587594 1046582695 /nfs/dbraw/zinc/58/26/95/1046582695.db2.gz ANJRPRDJPXJJNH-UHOSZYNNSA-N 1 3 360.546 2.741 20 0 FFADHO CCC1([NH+]2CCCCC2)CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC001331375279 1047900127 /nfs/dbraw/zinc/90/01/27/1047900127.db2.gz OGRODWRWMJHAKQ-UHFFFAOYSA-N 1 3 355.526 2.740 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)N(C)C)cc1 ZINC001331877805 1048151549 /nfs/dbraw/zinc/15/15/49/1048151549.db2.gz YUXBKHKCNUHRMQ-AABGKKOBSA-N 1 3 374.529 2.612 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001331957417 1048185614 /nfs/dbraw/zinc/18/56/14/1048185614.db2.gz FGMBOEJJTSJRMZ-XXBNENTESA-N 1 3 367.537 2.688 20 0 FFADHO O=C(NCCN1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001540793597 1070998018 /nfs/dbraw/zinc/99/80/18/1070998018.db2.gz SXSYFCGAXPWNLQ-HXUWFJFHSA-N 1 3 355.526 2.891 20 0 FFADHO O=C(NCCN1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001540793597 1070998024 /nfs/dbraw/zinc/99/80/24/1070998024.db2.gz SXSYFCGAXPWNLQ-HXUWFJFHSA-N 1 3 355.526 2.891 20 0 FFADHO O=C(CN1CCCC2(CC[NH2+]CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC001329490844 1048738645 /nfs/dbraw/zinc/73/86/45/1048738645.db2.gz ORIUETXKCQUMOD-UHFFFAOYSA-N 1 3 369.553 2.933 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)s1 ZINC001316652999 1049497800 /nfs/dbraw/zinc/49/78/00/1049497800.db2.gz SHDUDCJIBFTUTE-BBWFWOEESA-N 1 3 364.559 2.700 20 0 FFADHO Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC001316652999 1049497803 /nfs/dbraw/zinc/49/78/03/1049497803.db2.gz SHDUDCJIBFTUTE-BBWFWOEESA-N 1 3 364.559 2.700 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CCC[N@H+](C)C(C)C)C[C@@H]1C ZINC001295997381 1050010653 /nfs/dbraw/zinc/01/06/53/1050010653.db2.gz QGDXEUDXFBQZIS-DLBZAZTESA-N 1 3 362.566 2.805 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CCC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001295997381 1050010658 /nfs/dbraw/zinc/01/06/58/1050010658.db2.gz QGDXEUDXFBQZIS-DLBZAZTESA-N 1 3 362.566 2.805 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001296043097 1050014892 /nfs/dbraw/zinc/01/48/92/1050014892.db2.gz DVCMQBQQBLIKAY-LAUBAEHRSA-N 1 3 355.526 2.888 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cc(Cl)n1 ZINC001341527839 1050158927 /nfs/dbraw/zinc/15/89/27/1050158927.db2.gz ZSHUELZLAIIJIB-CJNGLKHVSA-N 1 3 358.873 2.913 20 0 FFADHO [NH3+]Cc1ccccc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001341715995 1050335288 /nfs/dbraw/zinc/33/52/88/1050335288.db2.gz XVCLPNDAFNWUPX-UHFFFAOYSA-N 1 3 371.456 2.558 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CCC34CCC4)cc2)CC1 ZINC001340111733 1050516391 /nfs/dbraw/zinc/51/63/91/1050516391.db2.gz HQNTXZOBQKGUQN-IBGZPJMESA-N 1 3 356.514 2.547 20 0 FFADHO c1ccc(CN2C[C@H]3CC[C@@H](C2)C3[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC001340147562 1050551266 /nfs/dbraw/zinc/55/12/66/1050551266.db2.gz VEZHTLIHIVDOQH-SXYMUXSESA-N 1 3 369.553 2.740 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001340173685 1050579183 /nfs/dbraw/zinc/57/91/83/1050579183.db2.gz VHLPNIDENPFQKO-WMQCIHAUSA-N 1 3 371.525 2.893 20 0 FFADHO CN(C)[C@H](CNC(=O)c1ccc([C@H]2CCCC[NH2+]2)n1C)c1ccccc1 ZINC001340774825 1051125544 /nfs/dbraw/zinc/12/55/44/1051125544.db2.gz VYCOTKUSANHBTO-YLJYHZDGSA-N 1 3 354.498 2.872 20 0 FFADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1CCN(CCc3ccccc3)C1)OCCO2 ZINC001342915547 1051525201 /nfs/dbraw/zinc/52/52/01/1051525201.db2.gz QHAHLKZRCBGJFL-AQNXPRMDSA-N 1 3 362.489 2.774 20 0 FFADHO CC(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001344836064 1052047895 /nfs/dbraw/zinc/04/78/95/1052047895.db2.gz VDEBEYXDWMXFAD-OALUTQOASA-N 1 3 374.577 2.808 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc3n(n2)CCC[C@@H]3N)cc1 ZINC001343372140 1052189753 /nfs/dbraw/zinc/18/97/53/1052189753.db2.gz PUZIBPFHKNAKLG-KRWDZBQOSA-N 1 3 371.485 2.650 20 0 FFADHO Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001343526352 1052284280 /nfs/dbraw/zinc/28/42/80/1052284280.db2.gz NDFQUNLSMYXTDL-SFHVURJKSA-N 1 3 358.530 2.930 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC1 ZINC001308537097 1052465945 /nfs/dbraw/zinc/46/59/45/1052465945.db2.gz MVTJWRAKQSLDGP-ZKTXZKFHSA-N 1 3 373.541 2.991 20 0 FFADHO COC(=O)[C@H]1[C@@H](CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1(F)F ZINC001308592969 1052473991 /nfs/dbraw/zinc/47/39/91/1052473991.db2.gz XORSTCXCONLBRA-QZTJIDSGSA-N 1 3 366.452 2.885 20 0 FFADHO COC(=O)[C@H]1[C@@H](CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1(F)F ZINC001308592969 1052473993 /nfs/dbraw/zinc/47/39/93/1052473993.db2.gz XORSTCXCONLBRA-QZTJIDSGSA-N 1 3 366.452 2.885 20 0 FFADHO C[C@H](Cc1ccccc1Cl)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001343973442 1052522280 /nfs/dbraw/zinc/52/22/80/1052522280.db2.gz VERDLODEGKGDNP-MRXNPFEDSA-N 1 3 351.922 2.853 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)Nc2ccccc2F)C[C@@H](C)O1 ZINC001335351566 1053310742 /nfs/dbraw/zinc/31/07/42/1053310742.db2.gz RDGCDLPBJQZCLR-HZPDHXFCSA-N 1 3 351.466 2.633 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccsc1 ZINC001336748895 1054190982 /nfs/dbraw/zinc/19/09/82/1054190982.db2.gz JMFMQNIGIQAIMT-YQQAZPJKSA-N 1 3 352.548 2.757 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001356595227 1055602989 /nfs/dbraw/zinc/60/29/89/1055602989.db2.gz CZDBWUYVBJWPHE-SFHVURJKSA-N 1 3 374.577 2.952 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849078984 1055630748 /nfs/dbraw/zinc/63/07/48/1055630748.db2.gz WETRTWRTGJTFSS-MSOLQXFVSA-N 1 3 358.530 2.970 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001352677427 1055707698 /nfs/dbraw/zinc/70/76/98/1055707698.db2.gz RMQQEBCFKPFPCU-LMMKCTJWSA-N 1 3 372.561 2.560 20 0 FFADHO CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001352677427 1055707702 /nfs/dbraw/zinc/70/77/02/1055707702.db2.gz RMQQEBCFKPFPCU-LMMKCTJWSA-N 1 3 372.561 2.560 20 0 FFADHO CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001353557903 1056532159 /nfs/dbraw/zinc/53/21/59/1056532159.db2.gz DMZMTGBIJANKAM-MJGOQNOKSA-N 1 3 374.529 2.555 20 0 FFADHO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000849104185 1056762566 /nfs/dbraw/zinc/76/25/66/1056762566.db2.gz LVWVTFQZHMHDLX-GOSISDBHSA-N 1 3 372.538 2.696 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=S)NCCN1CCCCC1 ZINC001200445821 1058211035 /nfs/dbraw/zinc/21/10/35/1058211035.db2.gz ZVBGIIZLLPFEHP-AZUAARDMSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=S)NCCN1CCCCC1 ZINC001200445821 1058211051 /nfs/dbraw/zinc/21/10/51/1058211051.db2.gz ZVBGIIZLLPFEHP-AZUAARDMSA-N 1 3 374.598 2.847 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[N@H+](C)C1CCCC1 ZINC001513838616 1058606725 /nfs/dbraw/zinc/60/67/25/1058606725.db2.gz WOQPAKRXJYCZKK-DLBZAZTESA-N 1 3 362.566 2.634 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[N@@H+](C)C1CCCC1 ZINC001513838616 1058606734 /nfs/dbraw/zinc/60/67/34/1058606734.db2.gz WOQPAKRXJYCZKK-DLBZAZTESA-N 1 3 362.566 2.634 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC001454408806 1059528821 /nfs/dbraw/zinc/52/88/21/1059528821.db2.gz WSZQOHZACVINRV-KSEOMHKRSA-N 1 3 357.542 2.943 20 0 FFADHO C[C@H](CC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001355231043 1060012765 /nfs/dbraw/zinc/01/27/65/1060012765.db2.gz CUXGTJDUKFQOKH-YRXWBPOGSA-N 1 3 371.525 2.521 20 0 FFADHO Cc1ccc2ncc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)n2c1 ZINC001461379853 1061304787 /nfs/dbraw/zinc/30/47/87/1061304787.db2.gz NQOOVPLHCQLWRN-FQEVSTJZSA-N 1 3 364.493 2.889 20 0 FFADHO Cc1ccc2ncc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)n2c1 ZINC001461379853 1061304803 /nfs/dbraw/zinc/30/48/03/1061304803.db2.gz NQOOVPLHCQLWRN-FQEVSTJZSA-N 1 3 364.493 2.889 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C2CCC(O)(c3cccnc3)CC2)CC1 ZINC001462124588 1061510069 /nfs/dbraw/zinc/51/00/69/1061510069.db2.gz HJXBPOMJDSZPHP-UHFFFAOYSA-N 1 3 373.541 2.835 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC001478704286 1062088787 /nfs/dbraw/zinc/08/87/87/1062088787.db2.gz YHERRQYQPKLQBK-FUHWJXTLSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC001478704286 1062088806 /nfs/dbraw/zinc/08/88/06/1062088806.db2.gz YHERRQYQPKLQBK-FUHWJXTLSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001478962499 1062164416 /nfs/dbraw/zinc/16/44/16/1062164416.db2.gz SHKYDNUFSZVCCL-YZGWKJHDSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC001478962499 1062164434 /nfs/dbraw/zinc/16/44/34/1062164434.db2.gz SHKYDNUFSZVCCL-YZGWKJHDSA-N 1 3 372.557 2.927 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C ZINC001479490095 1062476837 /nfs/dbraw/zinc/47/68/37/1062476837.db2.gz ADCKUGUOZCTVET-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C ZINC001479490095 1062476847 /nfs/dbraw/zinc/47/68/47/1062476847.db2.gz ADCKUGUOZCTVET-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC001465491136 1063112248 /nfs/dbraw/zinc/11/22/48/1063112248.db2.gz JBJDOCOXDZNGAS-GOSISDBHSA-N 1 3 359.514 2.702 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC001465491136 1063112258 /nfs/dbraw/zinc/11/22/58/1063112258.db2.gz JBJDOCOXDZNGAS-GOSISDBHSA-N 1 3 359.514 2.702 20 0 FFADHO CC(C)c1nc2ccccn2c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001467350860 1063718055 /nfs/dbraw/zinc/71/80/55/1063718055.db2.gz ZADWTVKIODROQV-INIZCTEOSA-N 1 3 374.533 2.851 20 0 FFADHO CC(C)c1nc2ccccn2c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001467350860 1063718066 /nfs/dbraw/zinc/71/80/66/1063718066.db2.gz ZADWTVKIODROQV-INIZCTEOSA-N 1 3 374.533 2.851 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC001469319331 1064126552 /nfs/dbraw/zinc/12/65/52/1064126552.db2.gz UCVLRRAFKWQGAO-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC001470025058 1064246412 /nfs/dbraw/zinc/24/64/12/1064246412.db2.gz BCHHBEBBQIHESO-HNNXBMFYSA-N 1 3 364.921 2.683 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC001470025058 1064246417 /nfs/dbraw/zinc/24/64/17/1064246417.db2.gz BCHHBEBBQIHESO-HNNXBMFYSA-N 1 3 364.921 2.683 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC001471143489 1064576495 /nfs/dbraw/zinc/57/64/95/1064576495.db2.gz UKHHLXSNBHXEPW-UXHICEINSA-N 1 3 358.530 2.695 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC001471143489 1064576504 /nfs/dbraw/zinc/57/65/04/1064576504.db2.gz UKHHLXSNBHXEPW-UXHICEINSA-N 1 3 358.530 2.695 20 0 FFADHO CC(C)c1nnc(N2CCC([NH3+])CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001575883126 1078173059 /nfs/dbraw/zinc/17/30/59/1078173059.db2.gz FRQYHWMJQAFLOX-SFHVURJKSA-N 1 3 374.508 2.771 20 0 FFADHO CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)[C@H]1C ZINC001473403052 1065257346 /nfs/dbraw/zinc/25/73/46/1065257346.db2.gz PHLVIBDMSVFRTN-ROUUACIJSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)[C@H]1C ZINC001473403052 1065257356 /nfs/dbraw/zinc/25/73/56/1065257356.db2.gz PHLVIBDMSVFRTN-ROUUACIJSA-N 1 3 358.530 2.887 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)CCN1c1cc[nH+]cc1 ZINC001473760018 1065348251 /nfs/dbraw/zinc/34/82/51/1065348251.db2.gz UYNHCXWOENTIHX-LJQANCHMSA-N 1 3 366.509 2.625 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001474653038 1065571814 /nfs/dbraw/zinc/57/18/14/1065571814.db2.gz XUXSXIYDEPJSCY-XBMUEBEBSA-N 1 3 352.906 2.997 20 0 FFADHO CCOC(=O)N1CCC(C)(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC001474685832 1065579284 /nfs/dbraw/zinc/57/92/84/1065579284.db2.gz DGFHRKUITKDSCN-KRWDZBQOSA-N 1 3 360.502 2.851 20 0 FFADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)CC1 ZINC001474685832 1065579296 /nfs/dbraw/zinc/57/92/96/1065579296.db2.gz DGFHRKUITKDSCN-KRWDZBQOSA-N 1 3 360.502 2.851 20 0 FFADHO CCOC(=O)N1CCC(C)(C[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)CC1 ZINC001474685832 1065579304 /nfs/dbraw/zinc/57/93/04/1065579304.db2.gz DGFHRKUITKDSCN-KRWDZBQOSA-N 1 3 360.502 2.851 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC001576771758 1078274056 /nfs/dbraw/zinc/27/40/56/1078274056.db2.gz HCONASHOKXLHBZ-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC001576771758 1078274058 /nfs/dbraw/zinc/27/40/58/1078274058.db2.gz HCONASHOKXLHBZ-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1NCCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC001576893442 1078284796 /nfs/dbraw/zinc/28/47/96/1078284796.db2.gz JWSLLRVYQKNXMC-ROUUACIJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1[NH2+]CC[C@H]1C ZINC001577027086 1078296214 /nfs/dbraw/zinc/29/62/14/1078296214.db2.gz JVNPDQJPYFLQLU-YQVWRLOYSA-N 1 3 374.577 2.854 20 0 FFADHO CCCCCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577438897 1078359741 /nfs/dbraw/zinc/35/97/41/1078359741.db2.gz VBDMDXIVTOXWHG-QGZVFWFLSA-N 1 3 362.566 2.856 20 0 FFADHO CCN(C(=O)CC[C@@H]1COC(C)(C)[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577631817 1078383343 /nfs/dbraw/zinc/38/33/43/1078383343.db2.gz VNXITRJLYQHEDQ-RTBURBONSA-N 1 3 359.514 2.614 20 0 FFADHO CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC001578408391 1078470770 /nfs/dbraw/zinc/47/07/70/1078470770.db2.gz KVQHFJYCWWYDKO-QZTJIDSGSA-N 1 3 370.545 2.707 20 0 FFADHO C[NH2+]CCOCCNCc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001578709794 1078520712 /nfs/dbraw/zinc/52/07/12/1078520712.db2.gz NZYGNDVYDMNZQE-UHFFFAOYSA-N 1 3 353.825 2.992 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CNCc2ccccc2CC(F)(F)F)cnn1C ZINC001579530583 1078639824 /nfs/dbraw/zinc/63/98/24/1078639824.db2.gz VVNWDKHJQDXYAO-CQSZACIVSA-N 1 3 354.420 2.741 20 0 FFADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C12CCOCC2 ZINC001580164720 1078758788 /nfs/dbraw/zinc/75/87/88/1078758788.db2.gz RJMFQQWWIZIUFY-XYPHTWIQSA-N 1 3 353.869 2.544 20 0 FFADHO O=C(NCCNC(c1ccccc1)c1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580689671 1078847638 /nfs/dbraw/zinc/84/76/38/1078847638.db2.gz UNBBSIMHAMPJGS-HSALFYBXSA-N 1 3 364.493 2.558 20 0 FFADHO c1c(CN[C@H](CN2CCOCC2)c2ccccc2)sc2c1C[NH2+]CC2 ZINC001580892439 1078888483 /nfs/dbraw/zinc/88/84/83/1078888483.db2.gz UFZFMWPQCPGVEQ-LJQANCHMSA-N 1 3 357.523 2.557 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC001550423826 1074262140 /nfs/dbraw/zinc/26/21/40/1074262140.db2.gz SFPNJJPZGBEXMG-LRSLUSHPSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC001550423826 1074262146 /nfs/dbraw/zinc/26/21/46/1074262146.db2.gz SFPNJJPZGBEXMG-LRSLUSHPSA-N 1 3 368.525 2.501 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550669732 1074427606 /nfs/dbraw/zinc/42/76/06/1074427606.db2.gz ZWXNBMXXAKJZHR-HDAAZOAOSA-N 1 3 362.562 2.824 20 0 FFADHO Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550669732 1074427609 /nfs/dbraw/zinc/42/76/09/1074427609.db2.gz ZWXNBMXXAKJZHR-HDAAZOAOSA-N 1 3 362.562 2.824 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC001550895400 1074521709 /nfs/dbraw/zinc/52/17/09/1074521709.db2.gz MKQKVUFQENIPJK-ZQDZILKHSA-N 1 3 361.452 2.590 20 0 FFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC001550895400 1074521713 /nfs/dbraw/zinc/52/17/13/1074521713.db2.gz MKQKVUFQENIPJK-ZQDZILKHSA-N 1 3 361.452 2.590 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CN1Cc1ccccc1 ZINC001551555111 1074755657 /nfs/dbraw/zinc/75/56/57/1074755657.db2.gz ZTUCCKPIQDGWIQ-FAIWXJIUSA-N 1 3 356.514 2.609 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553416542 1075303117 /nfs/dbraw/zinc/30/31/17/1075303117.db2.gz KETUZELOYVUBCR-YESZJQIVSA-N 1 3 362.543 2.526 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001556098202 1075700453 /nfs/dbraw/zinc/70/04/53/1075700453.db2.gz JEXIAAILHVNUMV-NQIIRXRSSA-N 1 3 357.542 2.991 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001558706676 1076060788 /nfs/dbraw/zinc/06/07/88/1076060788.db2.gz NOIPYMSFKJYEEA-UHFFFAOYSA-N 1 3 374.573 2.553 20 0 FFADHO CC[NH+]1CCC(Nc2ccc(N3CCN(C)CC3)c3ccncc23)CC1 ZINC001561050831 1076325608 /nfs/dbraw/zinc/32/56/08/1076325608.db2.gz IMBYEEHBIMWYJJ-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccc2ccccc2c1 ZINC001563524240 1076563194 /nfs/dbraw/zinc/56/31/94/1076563194.db2.gz OTHBRLGVIOMBIZ-SFHVURJKSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccc2ccccc2c1 ZINC001563524240 1076563195 /nfs/dbraw/zinc/56/31/95/1076563195.db2.gz OTHBRLGVIOMBIZ-SFHVURJKSA-N 1 3 370.541 2.954 20 0 FFADHO Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC001564027614 1076600697 /nfs/dbraw/zinc/60/06/97/1076600697.db2.gz MXUXWRQKTOASFP-OALUTQOASA-N 1 3 362.562 2.806 20 0 FFADHO Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC001564027614 1076600700 /nfs/dbraw/zinc/60/07/00/1076600700.db2.gz MXUXWRQKTOASFP-OALUTQOASA-N 1 3 362.562 2.806 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C2)cc1 ZINC001565244944 1076703058 /nfs/dbraw/zinc/70/30/58/1076703058.db2.gz OVDTZUCFEBVBGM-PCCBWWKXSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C2)cc1 ZINC001565244944 1076703060 /nfs/dbraw/zinc/70/30/60/1076703060.db2.gz OVDTZUCFEBVBGM-PCCBWWKXSA-N 1 3 370.541 2.695 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001565435118 1076729615 /nfs/dbraw/zinc/72/96/15/1076729615.db2.gz WDICVEQPABXNLN-SJORKVTESA-N 1 3 352.910 2.726 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001565435118 1076729616 /nfs/dbraw/zinc/72/96/16/1076729616.db2.gz WDICVEQPABXNLN-SJORKVTESA-N 1 3 352.910 2.726 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCc2cccc(F)c2)[C@@H]1C)N(C)C ZINC001566111269 1076915323 /nfs/dbraw/zinc/91/53/23/1076915323.db2.gz YHZSKCJAOSCRLV-LSTHTHJFSA-N 1 3 363.521 2.924 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCc2cccc(F)c2)[C@@H]1C)N(C)C ZINC001566111269 1076915327 /nfs/dbraw/zinc/91/53/27/1076915327.db2.gz YHZSKCJAOSCRLV-LSTHTHJFSA-N 1 3 363.521 2.924 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571387880 1077249330 /nfs/dbraw/zinc/24/93/30/1077249330.db2.gz DRYNZVNGUVPHKV-JJRVBVJISA-N 1 3 367.921 2.625 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571387880 1077249334 /nfs/dbraw/zinc/24/93/34/1077249334.db2.gz DRYNZVNGUVPHKV-JJRVBVJISA-N 1 3 367.921 2.625 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590259073 1081127883 /nfs/dbraw/zinc/12/78/83/1081127883.db2.gz HYHFBUGHWANVDF-MRXNPFEDSA-N 1 3 369.517 2.738 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590259073 1081127885 /nfs/dbraw/zinc/12/78/85/1081127885.db2.gz HYHFBUGHWANVDF-MRXNPFEDSA-N 1 3 369.517 2.738 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(Br)cc1Cl ZINC000423146700 514059278 /nfs/dbraw/zinc/05/92/78/514059278.db2.gz PZPOGCJOQCQIKR-PSOPSSQASA-N 1 3 361.711 2.987 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(Br)cc1Cl ZINC000423146700 514059283 /nfs/dbraw/zinc/05/92/83/514059283.db2.gz PZPOGCJOQCQIKR-PSOPSSQASA-N 1 3 361.711 2.987 20 0 FFADHO CC(=O)Nc1ccccc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587504 249993673 /nfs/dbraw/zinc/99/36/73/249993673.db2.gz SWVIPZQGWZJBKT-IAGOWNOFSA-N 1 3 359.514 2.966 20 0 FFADHO C[C@H](C(=O)NCC(F)(F)F)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821231 250004711 /nfs/dbraw/zinc/00/47/11/250004711.db2.gz NQUPFZUQJOJLAT-CQSZACIVSA-N 1 3 372.435 2.687 20 0 FFADHO Cc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000093734926 250041355 /nfs/dbraw/zinc/04/13/55/250041355.db2.gz OHMUWABOHYXWRT-UHFFFAOYSA-N 1 3 369.513 2.653 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000105083565 250196080 /nfs/dbraw/zinc/19/60/80/250196080.db2.gz XTDUWQUHWMRUFX-CVEARBPZSA-N 1 3 350.532 2.621 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000268806968 251390602 /nfs/dbraw/zinc/39/06/02/251390602.db2.gz JOJJNNOLTVSHRU-LJQANCHMSA-N 1 3 363.546 2.780 20 0 FFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000272412570 252033216 /nfs/dbraw/zinc/03/32/16/252033216.db2.gz FXOWLLHEFOCKQG-LJQANCHMSA-N 1 3 350.482 2.812 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272603375 252077404 /nfs/dbraw/zinc/07/74/04/252077404.db2.gz XZEJAVUMVJRQMW-QUCCMNQESA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272603375 252077408 /nfs/dbraw/zinc/07/74/08/252077408.db2.gz XZEJAVUMVJRQMW-QUCCMNQESA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000273159824 252234181 /nfs/dbraw/zinc/23/41/81/252234181.db2.gz BSLPZHYBXBONTB-OEWRPIJISA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000273159824 252234184 /nfs/dbraw/zinc/23/41/84/252234184.db2.gz BSLPZHYBXBONTB-OEWRPIJISA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(Br)ncc1F ZINC000273810777 255794989 /nfs/dbraw/zinc/79/49/89/255794989.db2.gz AUAVAKHLIKSMLQ-GFCCVEGCSA-N 1 3 373.314 2.660 20 0 FFADHO c1cn2c(n1)CC[C@@H](C[NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000275597848 256028234 /nfs/dbraw/zinc/02/82/34/256028234.db2.gz QDDJOWCNXOIISG-BURNTYAHSA-N 1 3 350.510 2.946 20 0 FFADHO CN1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000278224009 256289470 /nfs/dbraw/zinc/28/94/70/256289470.db2.gz SMYJKUVCDSYNCJ-VQTJNVASSA-N 1 3 356.514 2.605 20 0 FFADHO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC2CCN(C3CC3)CC2)cc1 ZINC000278493325 256318620 /nfs/dbraw/zinc/31/86/20/256318620.db2.gz PTZKEKOVLGDYCZ-INIZCTEOSA-N 1 3 350.528 2.621 20 0 FFADHO COC[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000278938588 256364645 /nfs/dbraw/zinc/36/46/45/256364645.db2.gz YCVGWNLVWUPPER-UXHICEINSA-N 1 3 350.478 2.616 20 0 FFADHO Cn1cc(-c2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)s2)cn1 ZINC000282197180 256702614 /nfs/dbraw/zinc/70/26/14/256702614.db2.gz HSHFPANFDGKGMY-HNNXBMFYSA-N 1 3 360.527 2.739 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000286082217 257019175 /nfs/dbraw/zinc/01/91/75/257019175.db2.gz MTTCFZJZQHPGBZ-OAHLLOKOSA-N 1 3 371.447 2.985 20 0 FFADHO COC[C@H](NC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1F ZINC000287263892 257080234 /nfs/dbraw/zinc/08/02/34/257080234.db2.gz AOQAJALVRIJZMD-KRWDZBQOSA-N 1 3 357.901 2.782 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000287857626 257121911 /nfs/dbraw/zinc/12/19/11/257121911.db2.gz XDNKVMNTOVMDSF-FUHWJXTLSA-N 1 3 372.431 2.843 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1OC ZINC000287643848 257100260 /nfs/dbraw/zinc/10/02/60/257100260.db2.gz USHXPCRJRTWYFH-INIZCTEOSA-N 1 3 363.546 2.559 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H](c1ccccc1)N(C)C ZINC000287719308 257105272 /nfs/dbraw/zinc/10/52/72/257105272.db2.gz BCKZLEOFWFUMGZ-IJXRJRJASA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@H](c1ccccc1)N(C)C ZINC000287719308 257105274 /nfs/dbraw/zinc/10/52/74/257105274.db2.gz BCKZLEOFWFUMGZ-IJXRJRJASA-N 1 3 358.530 2.804 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000288291993 257171265 /nfs/dbraw/zinc/17/12/65/257171265.db2.gz XNJUWTYUNDUFIS-HNBVOPMISA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000288291993 257171267 /nfs/dbraw/zinc/17/12/67/257171267.db2.gz XNJUWTYUNDUFIS-HNBVOPMISA-N 1 3 358.530 2.774 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288043860 257142106 /nfs/dbraw/zinc/14/21/06/257142106.db2.gz TUQCODCKBVZNCQ-MJIXASBWSA-N 1 3 356.514 2.698 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288043860 257142108 /nfs/dbraw/zinc/14/21/08/257142108.db2.gz TUQCODCKBVZNCQ-MJIXASBWSA-N 1 3 356.514 2.698 20 0 FFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Br)nc1 ZINC000289757884 257297552 /nfs/dbraw/zinc/29/75/52/257297552.db2.gz MWJKZWZHGYZWLY-ZDUSSCGKSA-N 1 3 355.324 2.521 20 0 FFADHO CN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000290811358 257359270 /nfs/dbraw/zinc/35/92/70/257359270.db2.gz VWBUQWASAOMDMS-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290811358 257359271 /nfs/dbraw/zinc/35/92/71/257359271.db2.gz VWBUQWASAOMDMS-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000311561271 258115607 /nfs/dbraw/zinc/11/56/07/258115607.db2.gz YFSVQNBXVRDTIT-UDEWTMQYSA-N 1 3 355.526 2.936 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[C@H]1[NH3+] ZINC000332534455 258234055 /nfs/dbraw/zinc/23/40/55/258234055.db2.gz SKIMFWLPTIOBDV-QRQLOZEOSA-N 1 3 358.530 2.666 20 0 FFADHO CC(C)c1ncsc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333203614 258255892 /nfs/dbraw/zinc/25/58/92/258255892.db2.gz RWRGQTSWOCVUSB-UHFFFAOYSA-N 1 3 365.547 2.947 20 0 FFADHO c1ccc(N2CCN(CCCN3CCC[C@@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000377127608 512134982 /nfs/dbraw/zinc/13/49/82/512134982.db2.gz MYIOLDQJXAJKKB-JOCHJYFZSA-N 1 3 356.558 2.759 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000369515638 512449215 /nfs/dbraw/zinc/44/92/15/512449215.db2.gz AIKMFLVWLODPNW-MHTWAQMVSA-N 1 3 351.579 2.664 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000369515638 512449217 /nfs/dbraw/zinc/44/92/17/512449217.db2.gz AIKMFLVWLODPNW-MHTWAQMVSA-N 1 3 351.579 2.664 20 0 FFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371232270 512280626 /nfs/dbraw/zinc/28/06/26/512280626.db2.gz RMUNIZPAHSCIJP-NRFANRHFSA-N 1 3 355.526 2.889 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000054509763 506569111 /nfs/dbraw/zinc/56/91/11/506569111.db2.gz BWWDHEOLPKCRLQ-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000054509763 506569120 /nfs/dbraw/zinc/56/91/20/506569120.db2.gz BWWDHEOLPKCRLQ-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054726321 506610413 /nfs/dbraw/zinc/61/04/13/506610413.db2.gz GHZCZTXPAHKEKQ-HDICACEKSA-N 1 3 373.545 2.670 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054726321 506610417 /nfs/dbraw/zinc/61/04/17/506610417.db2.gz GHZCZTXPAHKEKQ-HDICACEKSA-N 1 3 373.545 2.670 20 0 FFADHO CSCC[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N(C)C ZINC000367479601 512521768 /nfs/dbraw/zinc/52/17/68/512521768.db2.gz DKPXNGLNSQGRKC-QRQLOZEOSA-N 1 3 363.571 2.697 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000046381662 507127892 /nfs/dbraw/zinc/12/78/92/507127892.db2.gz DPLVIUBTCRXXQN-LJQANCHMSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000046381662 507127899 /nfs/dbraw/zinc/12/78/99/507127899.db2.gz DPLVIUBTCRXXQN-LJQANCHMSA-N 1 3 358.530 2.636 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000068546731 507266315 /nfs/dbraw/zinc/26/63/15/507266315.db2.gz HGSLMMUMFLZQIG-GOSISDBHSA-N 1 3 364.509 2.631 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000068546731 507266322 /nfs/dbraw/zinc/26/63/22/507266322.db2.gz HGSLMMUMFLZQIG-GOSISDBHSA-N 1 3 364.509 2.631 20 0 FFADHO CC(C)[NH+](CCNC(=O)NCCCN1CCc2ccccc2C1)C(C)C ZINC000047683651 507379965 /nfs/dbraw/zinc/37/99/65/507379965.db2.gz QCKUDUISYRONNR-UHFFFAOYSA-N 1 3 360.546 2.853 20 0 FFADHO Cc1nn(C)c(C)c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000069748080 507552294 /nfs/dbraw/zinc/55/22/94/507552294.db2.gz IJIHYYWEYQUQFG-UHFFFAOYSA-N 1 3 369.557 2.725 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]cc3-c3ccccc3)CC2)CC1 ZINC000050798180 507713044 /nfs/dbraw/zinc/71/30/44/507713044.db2.gz USHUTOGSXFPWPY-UHFFFAOYSA-N 1 3 366.509 2.970 20 0 FFADHO COc1cc(Cl)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797477 507713551 /nfs/dbraw/zinc/71/35/51/507713551.db2.gz NAMIIXDNLRJNIG-UHFFFAOYSA-N 1 3 365.905 2.637 20 0 FFADHO C[C@@H](Sc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802862 507715095 /nfs/dbraw/zinc/71/50/95/507715095.db2.gz JFZCPAKWQLXQTR-MRXNPFEDSA-N 1 3 361.555 2.842 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(Cl)cc3)CC2)CC1 ZINC000051758558 507783096 /nfs/dbraw/zinc/78/30/96/507783096.db2.gz BNGILMNFGDFCDX-UHFFFAOYSA-N 1 3 364.921 2.698 20 0 FFADHO CC1CCN(CCNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000107983066 507875160 /nfs/dbraw/zinc/87/51/60/507875160.db2.gz RUTSMCWARVWARQ-OALUTQOASA-N 1 3 352.567 2.776 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000108567993 507905480 /nfs/dbraw/zinc/90/54/80/507905480.db2.gz SRXVAKFVWKMMSB-UYAOXDASSA-N 1 3 358.530 2.773 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000108567993 507905483 /nfs/dbraw/zinc/90/54/83/507905483.db2.gz SRXVAKFVWKMMSB-UYAOXDASSA-N 1 3 358.530 2.773 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000079097308 507933147 /nfs/dbraw/zinc/93/31/47/507933147.db2.gz HNAQMOFQCORDQK-UHFFFAOYSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000079167160 507939438 /nfs/dbraw/zinc/93/94/38/507939438.db2.gz UWMLJXHZZPNUTA-LJQANCHMSA-N 1 3 372.557 2.725 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000073651736 507943233 /nfs/dbraw/zinc/94/32/33/507943233.db2.gz QPZGREIKJJBRBA-SJORKVTESA-N 1 3 352.548 2.915 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000073651736 507943234 /nfs/dbraw/zinc/94/32/34/507943234.db2.gz QPZGREIKJJBRBA-SJORKVTESA-N 1 3 352.548 2.915 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000073662122 507943950 /nfs/dbraw/zinc/94/39/50/507943950.db2.gz SVGPRAMAFHDKJP-UHFFFAOYSA-N 1 3 372.557 2.856 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000079223947 507946194 /nfs/dbraw/zinc/94/61/94/507946194.db2.gz BGGMPIZJHPPZIT-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000079223947 507946197 /nfs/dbraw/zinc/94/61/97/507946197.db2.gz BGGMPIZJHPPZIT-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC(C)(C)[NH+]2CCCCC2)o1 ZINC000079572213 507977575 /nfs/dbraw/zinc/97/75/75/507977575.db2.gz NTOPXBNTNAMSMR-UHFFFAOYSA-N 1 3 364.534 2.926 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)o1 ZINC000079599391 507980883 /nfs/dbraw/zinc/98/08/83/507980883.db2.gz SPQCIBJDLCPWFL-DLBZAZTESA-N 1 3 364.534 2.924 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)o1 ZINC000079599391 507980884 /nfs/dbraw/zinc/98/08/84/507980884.db2.gz SPQCIBJDLCPWFL-DLBZAZTESA-N 1 3 364.534 2.924 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000079735028 507996731 /nfs/dbraw/zinc/99/67/31/507996731.db2.gz SOBVFUANLGGMTD-RTWAWAEBSA-N 1 3 368.525 2.761 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000109936185 507997549 /nfs/dbraw/zinc/99/75/49/507997549.db2.gz QCMYBZLZCISHTL-UHFFFAOYSA-N 1 3 372.557 2.578 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000091730433 508005698 /nfs/dbraw/zinc/00/56/98/508005698.db2.gz IPFUUKYWMVPIJV-UHFFFAOYSA-N 1 3 373.545 2.862 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000080670878 508093284 /nfs/dbraw/zinc/09/32/84/508093284.db2.gz SBYGCVHXEFOFGQ-TZIWHRDSSA-N 1 3 372.557 2.971 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000080670878 508093287 /nfs/dbraw/zinc/09/32/87/508093287.db2.gz SBYGCVHXEFOFGQ-TZIWHRDSSA-N 1 3 372.557 2.971 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCCN(C)C)c1 ZINC000081073083 508132513 /nfs/dbraw/zinc/13/25/13/508132513.db2.gz HAAVHSSTJAFUNB-SJORKVTESA-N 1 3 360.502 2.636 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(OCCN(C)C)c1 ZINC000081073083 508132514 /nfs/dbraw/zinc/13/25/14/508132514.db2.gz HAAVHSSTJAFUNB-SJORKVTESA-N 1 3 360.502 2.636 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000076072792 508155329 /nfs/dbraw/zinc/15/53/29/508155329.db2.gz PVIHKNGZTCJSOZ-NRFANRHFSA-N 1 3 372.557 2.949 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)N1CCc2ccccc2C1 ZINC000076072792 508155331 /nfs/dbraw/zinc/15/53/31/508155331.db2.gz PVIHKNGZTCJSOZ-NRFANRHFSA-N 1 3 372.557 2.949 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(C(=O)OC)C2)CC1 ZINC000093813722 508156337 /nfs/dbraw/zinc/15/63/37/508156337.db2.gz ZOIZKMQOFXTUOY-NRFANRHFSA-N 1 3 359.514 2.604 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@](C)(C(=O)OC)C2)CC1 ZINC000093813722 508156341 /nfs/dbraw/zinc/15/63/41/508156341.db2.gz ZOIZKMQOFXTUOY-NRFANRHFSA-N 1 3 359.514 2.604 20 0 FFADHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000430653035 513713201 /nfs/dbraw/zinc/71/32/01/513713201.db2.gz NWVWTPCWEFKAKH-LLVKDONJSA-N 1 3 358.255 2.588 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000098034442 508232353 /nfs/dbraw/zinc/23/23/53/508232353.db2.gz APJAODAJQRIXOE-FGTMMUONSA-N 1 3 360.546 2.914 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000098034442 508232356 /nfs/dbraw/zinc/23/23/56/508232356.db2.gz APJAODAJQRIXOE-FGTMMUONSA-N 1 3 360.546 2.914 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2n1C ZINC000101518431 508241784 /nfs/dbraw/zinc/24/17/84/508241784.db2.gz CXMPLQQMYAVAIQ-GOSISDBHSA-N 1 3 356.514 2.666 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2n1C ZINC000101518431 508241786 /nfs/dbraw/zinc/24/17/86/508241786.db2.gz CXMPLQQMYAVAIQ-GOSISDBHSA-N 1 3 356.514 2.666 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000102012441 508265005 /nfs/dbraw/zinc/26/50/05/508265005.db2.gz YQBWONROPNDHRN-MRXNPFEDSA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000102012441 508265010 /nfs/dbraw/zinc/26/50/10/508265010.db2.gz YQBWONROPNDHRN-MRXNPFEDSA-N 1 3 364.559 2.744 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccccc2F)n1 ZINC000103212960 508302849 /nfs/dbraw/zinc/30/28/49/508302849.db2.gz DINLBOGLDPGFRN-UHFFFAOYSA-N 1 3 364.490 2.515 20 0 FFADHO CCOc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OCC(C)C ZINC000077450191 508317725 /nfs/dbraw/zinc/31/77/25/508317725.db2.gz CTGLBMBIBOOYQJ-UHFFFAOYSA-N 1 3 350.503 2.666 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc2ccccc21 ZINC000114501924 508323121 /nfs/dbraw/zinc/32/31/21/508323121.db2.gz CHJZOXOJFRUNJG-LJQANCHMSA-N 1 3 355.526 2.881 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000077776504 508371881 /nfs/dbraw/zinc/37/18/81/508371881.db2.gz BPZBNSVYOXGWRO-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000077776504 508371884 /nfs/dbraw/zinc/37/18/84/508371884.db2.gz BPZBNSVYOXGWRO-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCOCC(F)(F)F)CC1 ZINC000088671475 508381275 /nfs/dbraw/zinc/38/12/75/508381275.db2.gz QAZJSNDHDCGISI-UHFFFAOYSA-N 1 3 359.436 2.887 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(F)c4)CC3)CC2)CC1 ZINC000115351962 508386969 /nfs/dbraw/zinc/38/69/69/508386969.db2.gz SXGWOGZXIXBVPK-UHFFFAOYSA-N 1 3 359.489 2.532 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)[NH+]1CCCC1 ZINC000115792887 508438315 /nfs/dbraw/zinc/43/83/15/508438315.db2.gz SRMRVNABHWWPQY-IEBWSBKVSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H]1Cc2ccccc2N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127473803 508455869 /nfs/dbraw/zinc/45/58/69/508455869.db2.gz HABZNFBDDOBAMC-INIZCTEOSA-N 1 3 356.514 2.706 20 0 FFADHO C[C@H]1CCC[C@@H](N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000127491751 508458643 /nfs/dbraw/zinc/45/86/43/508458643.db2.gz XMABIPRELRFOEN-QFBILLFUSA-N 1 3 350.551 2.765 20 0 FFADHO CN(c1ccccc1C[NH2+][C@@H](CO)Cc1ccccc1)C1CCN(C)CC1 ZINC000152690635 508495328 /nfs/dbraw/zinc/49/53/28/508495328.db2.gz BTOWVGDNZVANKV-OAQYLSRUSA-N 1 3 367.537 2.910 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000127788712 508500279 /nfs/dbraw/zinc/50/02/79/508500279.db2.gz UARIBBWAFSRONA-YSIASYRMSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000127788712 508500282 /nfs/dbraw/zinc/50/02/82/508500282.db2.gz UARIBBWAFSRONA-YSIASYRMSA-N 1 3 370.541 2.775 20 0 FFADHO CCC(=O)c1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000122252130 508506748 /nfs/dbraw/zinc/50/67/48/508506748.db2.gz RNRNUDHMGQVJNF-UHFFFAOYSA-N 1 3 372.513 2.959 20 0 FFADHO CCN1CCN(CCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000122259566 508507539 /nfs/dbraw/zinc/50/75/39/508507539.db2.gz KIGUAHRZZMHWOI-LJQANCHMSA-N 1 3 372.557 2.885 20 0 FFADHO CCN1CCN(CCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000122259566 508507540 /nfs/dbraw/zinc/50/75/40/508507540.db2.gz KIGUAHRZZMHWOI-LJQANCHMSA-N 1 3 372.557 2.885 20 0 FFADHO CC(=O)c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000122306085 508515803 /nfs/dbraw/zinc/51/58/03/508515803.db2.gz GOSCWHDVVJKTAT-UHFFFAOYSA-N 1 3 372.513 2.878 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000128022343 508536130 /nfs/dbraw/zinc/53/61/30/508536130.db2.gz ROLLEKQXPLCYRE-HIFRSBDPSA-N 1 3 353.894 2.587 20 0 FFADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000122720944 508577388 /nfs/dbraw/zinc/57/73/88/508577388.db2.gz CQVMZYQQKPWMFZ-HNNXBMFYSA-N 1 3 368.543 2.871 20 0 FFADHO CCOc1ccccc1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000157708484 508600931 /nfs/dbraw/zinc/60/09/31/508600931.db2.gz ASMBYANAEPSKDZ-KRWDZBQOSA-N 1 3 362.518 2.965 20 0 FFADHO CCOc1ccccc1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000157708484 508600932 /nfs/dbraw/zinc/60/09/32/508600932.db2.gz ASMBYANAEPSKDZ-KRWDZBQOSA-N 1 3 362.518 2.965 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000123038371 508626108 /nfs/dbraw/zinc/62/61/08/508626108.db2.gz FBINQWWLOBYKHP-GOSISDBHSA-N 1 3 352.567 2.918 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000123038371 508626110 /nfs/dbraw/zinc/62/61/10/508626110.db2.gz FBINQWWLOBYKHP-GOSISDBHSA-N 1 3 352.567 2.918 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)o1 ZINC000129000795 508668883 /nfs/dbraw/zinc/66/88/83/508668883.db2.gz XJUVZKUBNBAGFJ-KRWDZBQOSA-N 1 3 364.534 2.782 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000123343662 508673077 /nfs/dbraw/zinc/67/30/77/508673077.db2.gz RCPNILXANBVOQX-HXUWFJFHSA-N 1 3 360.546 2.915 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000123343662 508673081 /nfs/dbraw/zinc/67/30/81/508673081.db2.gz RCPNILXANBVOQX-HXUWFJFHSA-N 1 3 360.546 2.915 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)N(C)C)cc1 ZINC000136372016 508690006 /nfs/dbraw/zinc/69/00/06/508690006.db2.gz FDTBBOJNKRNXHR-HKBOAZHASA-N 1 3 372.557 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)N(C)C)cc1 ZINC000136372016 508690008 /nfs/dbraw/zinc/69/00/08/508690008.db2.gz FDTBBOJNKRNXHR-HKBOAZHASA-N 1 3 372.557 2.977 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccsc1 ZINC000129501713 508733728 /nfs/dbraw/zinc/73/37/28/508733728.db2.gz OIMCBTYBJGWOKF-RDJZCZTQSA-N 1 3 352.548 2.724 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000154307346 508756685 /nfs/dbraw/zinc/75/66/85/508756685.db2.gz BWYAOURPXUYNEK-IBGZPJMESA-N 1 3 355.530 2.610 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000140631271 508807629 /nfs/dbraw/zinc/80/76/29/508807629.db2.gz ZKZNMHKTWUKRBB-HKBOAZHASA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000140631271 508807630 /nfs/dbraw/zinc/80/76/30/508807630.db2.gz ZKZNMHKTWUKRBB-HKBOAZHASA-N 1 3 370.541 2.777 20 0 FFADHO COc1cccc(CCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000119550342 508817169 /nfs/dbraw/zinc/81/71/69/508817169.db2.gz KCPVEJAPMBMEIL-WCRBZPEASA-N 1 3 357.542 2.871 20 0 FFADHO COc1cccc(CCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000119550342 508817173 /nfs/dbraw/zinc/81/71/73/508817173.db2.gz KCPVEJAPMBMEIL-WCRBZPEASA-N 1 3 357.542 2.871 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000375618596 512423610 /nfs/dbraw/zinc/42/36/10/512423610.db2.gz PAKYITVZOOCWSE-GOSISDBHSA-N 1 3 365.468 2.696 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](c3ccccc3)C3CC3)CC2)CC1 ZINC000131075766 508884674 /nfs/dbraw/zinc/88/46/74/508884674.db2.gz WPSHYFXRVQSWCS-NRFANRHFSA-N 1 3 355.526 2.855 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000151122436 508961177 /nfs/dbraw/zinc/96/11/77/508961177.db2.gz WTILCQSIXALAKK-JKSUJKDBSA-N 1 3 353.532 2.831 20 0 FFADHO CCOc1cc(Cl)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120271435 508962468 /nfs/dbraw/zinc/96/24/68/508962468.db2.gz YPIJONNDXWQJRI-UHFFFAOYSA-N 1 3 356.898 2.696 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000155387370 508990336 /nfs/dbraw/zinc/99/03/36/508990336.db2.gz CBWQTFQDSBDJEG-UHFFFAOYSA-N 1 3 358.530 2.823 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000155387370 508990340 /nfs/dbraw/zinc/99/03/40/508990340.db2.gz CBWQTFQDSBDJEG-UHFFFAOYSA-N 1 3 358.530 2.823 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151413599 509011068 /nfs/dbraw/zinc/01/10/68/509011068.db2.gz HSFAKCRBRWCWHH-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000151413599 509011073 /nfs/dbraw/zinc/01/10/73/509011073.db2.gz HSFAKCRBRWCWHH-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000125708221 509019601 /nfs/dbraw/zinc/01/96/01/509019601.db2.gz NWHDAAFUODQBHE-ZBFHGGJFSA-N 1 3 359.436 2.914 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000155751203 509065241 /nfs/dbraw/zinc/06/52/41/509065241.db2.gz OJSLJEKJWQFABM-SJORKVTESA-N 1 3 373.520 2.996 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000132932553 509093816 /nfs/dbraw/zinc/09/38/16/509093816.db2.gz VKGJELUDNGRNMF-IAGOWNOFSA-N 1 3 360.498 2.999 20 0 FFADHO Cc1nc(CC(C)C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000132940112 509094458 /nfs/dbraw/zinc/09/44/58/509094458.db2.gz AGGVCWVYPQQKDO-UHFFFAOYSA-N 1 3 355.552 2.607 20 0 FFADHO CC(C)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000156009563 509109309 /nfs/dbraw/zinc/10/93/09/509109309.db2.gz KNQKVGJKFRRIRH-GOSISDBHSA-N 1 3 370.488 2.797 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000127004446 509157927 /nfs/dbraw/zinc/15/79/27/509157927.db2.gz SUDKAGFTDNIQDM-GHOZHQTGSA-N 1 3 372.557 2.927 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CSCCN3)cc2)CC1 ZINC000133437278 509159863 /nfs/dbraw/zinc/15/98/63/509159863.db2.gz JYUPEFCFGCJVRE-LJQANCHMSA-N 1 3 361.555 2.630 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000182379005 509202927 /nfs/dbraw/zinc/20/29/27/509202927.db2.gz VWHYHAIVVMHBJV-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000182379005 509202933 /nfs/dbraw/zinc/20/29/33/509202933.db2.gz VWHYHAIVVMHBJV-NJDAHSKKSA-N 1 3 370.541 2.777 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)CC2)cs1 ZINC000247968073 509203356 /nfs/dbraw/zinc/20/33/56/509203356.db2.gz HAOIRHDVLKGIHT-DOTOQJQBSA-N 1 3 350.576 2.990 20 0 FFADHO CC[C@@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000182377933 509203387 /nfs/dbraw/zinc/20/33/87/509203387.db2.gz KYAJSGDAJPLHHD-RTWAWAEBSA-N 1 3 373.541 2.623 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)([NH+](C)C)C1 ZINC000195599290 509211701 /nfs/dbraw/zinc/21/17/01/509211701.db2.gz WEFUTWMGQFQEAY-KAGYGMCKSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401018 509219060 /nfs/dbraw/zinc/21/90/60/509219060.db2.gz KLNYJMXTQGUIIX-ZWKOTPCHSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401018 509219065 /nfs/dbraw/zinc/21/90/65/509219065.db2.gz KLNYJMXTQGUIIX-ZWKOTPCHSA-N 1 3 350.551 2.671 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000188705550 509223845 /nfs/dbraw/zinc/22/38/45/509223845.db2.gz GECPMFZCXXZMIU-UHFFFAOYSA-N 1 3 360.546 2.807 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248385069 509282737 /nfs/dbraw/zinc/28/27/37/509282737.db2.gz HBEMGXVPPSMVIN-LEWJYISDSA-N 1 3 373.541 2.522 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248385069 509282743 /nfs/dbraw/zinc/28/27/43/509282743.db2.gz HBEMGXVPPSMVIN-LEWJYISDSA-N 1 3 373.541 2.522 20 0 FFADHO O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248402663 509296299 /nfs/dbraw/zinc/29/62/99/509296299.db2.gz NRQKMVYVBLQYHY-PCCBWWKXSA-N 1 3 355.526 2.889 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000248457700 509331644 /nfs/dbraw/zinc/33/16/44/509331644.db2.gz UARUVTHYFSVRJD-MHTWAQMVSA-N 1 3 356.510 2.691 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248744710 509464116 /nfs/dbraw/zinc/46/41/16/509464116.db2.gz MWVITYAJZJMHNC-NJYVYQBISA-N 1 3 370.541 2.777 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248744710 509464123 /nfs/dbraw/zinc/46/41/23/509464123.db2.gz MWVITYAJZJMHNC-NJYVYQBISA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236661850 509474173 /nfs/dbraw/zinc/47/41/73/509474173.db2.gz GDDQBYHUZAACNT-VXKWHMMOSA-N 1 3 365.521 2.756 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236661850 509474180 /nfs/dbraw/zinc/47/41/80/509474180.db2.gz GDDQBYHUZAACNT-VXKWHMMOSA-N 1 3 365.521 2.756 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000236683481 509479985 /nfs/dbraw/zinc/47/99/85/509479985.db2.gz GDDQBYHUZAACNT-FCHUYYIVSA-N 1 3 365.521 2.756 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236683481 509479987 /nfs/dbraw/zinc/47/99/87/509479987.db2.gz GDDQBYHUZAACNT-FCHUYYIVSA-N 1 3 365.521 2.756 20 0 FFADHO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000236710595 509486699 /nfs/dbraw/zinc/48/66/99/509486699.db2.gz XYAHGOFBLANZPH-OAQYLSRUSA-N 1 3 360.546 2.710 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000176398368 509487863 /nfs/dbraw/zinc/48/78/63/509487863.db2.gz FJSBUFDMDHBOSD-MOPGFXCFSA-N 1 3 350.551 2.909 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000176398368 509487858 /nfs/dbraw/zinc/48/78/58/509487858.db2.gz FJSBUFDMDHBOSD-MOPGFXCFSA-N 1 3 350.551 2.909 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248828143 509501907 /nfs/dbraw/zinc/50/19/07/509501907.db2.gz MDQBOCMSIMMROX-JBACZVJFSA-N 1 3 372.557 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248828143 509501913 /nfs/dbraw/zinc/50/19/13/509501913.db2.gz MDQBOCMSIMMROX-JBACZVJFSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248855661 509513906 /nfs/dbraw/zinc/51/39/06/509513906.db2.gz PFUVIBBFPJTURR-BWPNAZKDSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248855661 509513908 /nfs/dbraw/zinc/51/39/08/509513908.db2.gz PFUVIBBFPJTURR-BWPNAZKDSA-N 1 3 358.530 2.631 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)c(C)c2)CC1 ZINC000236868390 509520012 /nfs/dbraw/zinc/52/00/12/509520012.db2.gz JZIAMZVDKXLMND-YYWHXJBOSA-N 1 3 370.541 2.996 20 0 FFADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C2 ZINC000192447621 509521962 /nfs/dbraw/zinc/52/19/62/509521962.db2.gz GUOXIJRUKWPCEV-RTWAWAEBSA-N 1 3 366.505 2.909 20 0 FFADHO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C2 ZINC000248989081 509566096 /nfs/dbraw/zinc/56/60/96/509566096.db2.gz GUOXIJRUKWPCEV-NHCUHLMSSA-N 1 3 366.505 2.909 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1(C)C ZINC000249070400 509590713 /nfs/dbraw/zinc/59/07/13/509590713.db2.gz KYAUAPBBFRTFCA-CDXJDZJCSA-N 1 3 361.530 2.546 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1(C)C ZINC000249070400 509590720 /nfs/dbraw/zinc/59/07/20/509590720.db2.gz KYAUAPBBFRTFCA-CDXJDZJCSA-N 1 3 361.530 2.546 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000166768916 509616085 /nfs/dbraw/zinc/61/60/85/509616085.db2.gz RCGXWPJUCKAECT-SFHVURJKSA-N 1 3 358.486 2.582 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000192789347 509644787 /nfs/dbraw/zinc/64/47/87/509644787.db2.gz JWFUTQKOGQSAAI-IBGZPJMESA-N 1 3 355.530 2.939 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCN1Cc1ccccc1 ZINC000249288012 509649381 /nfs/dbraw/zinc/64/93/81/509649381.db2.gz UESVGVNULDNPLH-KNQAVFIVSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCN1Cc1ccccc1 ZINC000249288012 509649390 /nfs/dbraw/zinc/64/93/90/509649390.db2.gz UESVGVNULDNPLH-KNQAVFIVSA-N 1 3 370.541 2.825 20 0 FFADHO CC1CCC(N2CCN(C(=O)c3cccn3C3CC[NH2+]CC3)CC2)CC1 ZINC000168894556 509653525 /nfs/dbraw/zinc/65/35/25/509653525.db2.gz YHVATXXTSFZIHA-UHFFFAOYSA-N 1 3 358.530 2.749 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237732060 509721448 /nfs/dbraw/zinc/72/14/48/509721448.db2.gz MDVWDSMBPWZEHX-PRJVBOEPSA-N 1 3 355.526 2.996 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000173863338 509822898 /nfs/dbraw/zinc/82/28/98/509822898.db2.gz DSUKOHZGOIPTRJ-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000173863338 509822904 /nfs/dbraw/zinc/82/29/04/509822904.db2.gz DSUKOHZGOIPTRJ-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000189997450 509873912 /nfs/dbraw/zinc/87/39/12/509873912.db2.gz MBYZQHMIPIVDGB-HBFSDRIKSA-N 1 3 367.578 2.893 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000171038865 509903388 /nfs/dbraw/zinc/90/33/88/509903388.db2.gz FXGUATYBJWBQRX-UHFFFAOYSA-N 1 3 372.557 2.951 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000174010962 509903554 /nfs/dbraw/zinc/90/35/54/509903554.db2.gz OSOQMBIDXYABIV-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000174010962 509903558 /nfs/dbraw/zinc/90/35/58/509903558.db2.gz OSOQMBIDXYABIV-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO COc1ccc(Br)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268414858 509914592 /nfs/dbraw/zinc/91/45/92/509914592.db2.gz IZRWBDXWKISEKT-UHFFFAOYSA-N 1 3 371.319 2.783 20 0 FFADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177205319 509936315 /nfs/dbraw/zinc/93/63/15/509936315.db2.gz ZMRCKQAPYFDYAS-INIZCTEOSA-N 1 3 367.559 2.708 20 0 FFADHO CN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268506365 509976166 /nfs/dbraw/zinc/97/61/66/509976166.db2.gz IZZUVYZEDHQWMJ-NRFANRHFSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000171191476 509997087 /nfs/dbraw/zinc/99/70/87/509997087.db2.gz CFFQSSODBJYKRP-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261604656 509997703 /nfs/dbraw/zinc/99/77/03/509997703.db2.gz AKCXUBHBXROUOQ-FVJLSDCUSA-N 1 3 373.541 2.535 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261604656 509997709 /nfs/dbraw/zinc/99/77/09/509997709.db2.gz AKCXUBHBXROUOQ-FVJLSDCUSA-N 1 3 373.541 2.535 20 0 FFADHO CC1CCN(CCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177396864 510034493 /nfs/dbraw/zinc/03/44/93/510034493.db2.gz WIMAIEPBBNRNNC-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245631629 510050083 /nfs/dbraw/zinc/05/00/83/510050083.db2.gz ICEJWUOLFGUUOF-UXHICEINSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(CC[C@@H]1CC[NH2+]C1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000261757919 510051865 /nfs/dbraw/zinc/05/18/65/510051865.db2.gz HTEUOWFKHBKQBH-LJQANCHMSA-N 1 3 373.541 2.564 20 0 FFADHO CCc1cccc(Cl)c1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261809274 510073122 /nfs/dbraw/zinc/07/31/22/510073122.db2.gz HNMPZSYGGKCZQP-BEFAXECRSA-N 1 3 363.933 2.983 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268858292 510104514 /nfs/dbraw/zinc/10/45/14/510104514.db2.gz IXEDUEMWYGIUKV-GIWBLDEGSA-N 1 3 372.601 2.903 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[NH+]2CCCC2)cc1 ZINC000174452956 510121932 /nfs/dbraw/zinc/12/19/32/510121932.db2.gz RLOWMLNKWBRIKM-SFTDATJTSA-N 1 3 368.525 2.788 20 0 FFADHO CC(C)C1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000174468621 510127645 /nfs/dbraw/zinc/12/76/45/510127645.db2.gz GMOFUYIWITVVKY-UHFFFAOYSA-N 1 3 350.551 2.623 20 0 FFADHO COc1cc(-c2ccccc2)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262103843 510178695 /nfs/dbraw/zinc/17/86/95/510178695.db2.gz JEBKAOJQTPDPCP-NRFANRHFSA-N 1 3 351.494 2.842 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245876260 510180860 /nfs/dbraw/zinc/18/08/60/510180860.db2.gz IHRHJBYUHMUZGZ-NNIGNNQHSA-N 1 3 350.551 2.621 20 0 FFADHO c1ccc(COc2cccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262110239 510181216 /nfs/dbraw/zinc/18/12/16/510181216.db2.gz KJAJXGWOXSPLPG-OAQYLSRUSA-N 1 3 351.494 2.745 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(C(F)F)c3)CC2)CC1 ZINC000171481870 510185732 /nfs/dbraw/zinc/18/57/32/510185732.db2.gz BSZUKYWOCBOSIL-UHFFFAOYSA-N 1 3 351.441 2.913 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262137822 510189072 /nfs/dbraw/zinc/18/90/72/510189072.db2.gz YUXYNXHUESMEBS-RBUKOAKNSA-N 1 3 361.555 2.951 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245918622 510205908 /nfs/dbraw/zinc/20/59/08/510205908.db2.gz ZIFYELVMXNTIIT-OKYOBFRVSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000265755471 510212648 /nfs/dbraw/zinc/21/26/48/510212648.db2.gz PZEQIEMJGNFTFH-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000265755471 510212653 /nfs/dbraw/zinc/21/26/53/510212653.db2.gz PZEQIEMJGNFTFH-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245929294 510214460 /nfs/dbraw/zinc/21/44/60/510214460.db2.gz SEAYBDNGKQIBRU-NSHGMRRFSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000245929294 510214464 /nfs/dbraw/zinc/21/44/64/510214464.db2.gz SEAYBDNGKQIBRU-NSHGMRRFSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245940583 510220277 /nfs/dbraw/zinc/22/02/77/510220277.db2.gz UTLCQZARBUXUKS-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](C[NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262349116 510252342 /nfs/dbraw/zinc/25/23/42/510252342.db2.gz ITYYPECQGFKKPN-XPKDYRNWSA-N 1 3 357.420 2.799 20 0 FFADHO C[C@H]1CCCCN1Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000246056437 510268739 /nfs/dbraw/zinc/26/87/39/510268739.db2.gz QHFQQLZKBZOAPI-LPHOPBHVSA-N 1 3 350.528 2.728 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262420045 510275139 /nfs/dbraw/zinc/27/51/39/510275139.db2.gz RQYBPQYNAUAYPW-SIKLNZKXSA-N 1 3 371.525 2.609 20 0 FFADHO [NH3+]CCCCCCC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000269244841 510306366 /nfs/dbraw/zinc/30/63/66/510306366.db2.gz CYCAKMNUVWXTGD-UHFFFAOYSA-N 1 3 374.573 2.610 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3C[C@@H](C)N(C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000177921792 510328241 /nfs/dbraw/zinc/32/82/41/510328241.db2.gz GGBBWVRRQZADBZ-NLJKLAEJSA-N 1 3 373.541 2.754 20 0 FFADHO C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177942493 510338901 /nfs/dbraw/zinc/33/89/01/510338901.db2.gz MLPMUHCYASSNPK-MSOLQXFVSA-N 1 3 369.509 2.983 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181337171 510362168 /nfs/dbraw/zinc/36/21/68/510362168.db2.gz UZZKOAASQVUDJJ-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCCN(CC2CCCCC2)CC1 ZINC000262704256 510376761 /nfs/dbraw/zinc/37/67/61/510376761.db2.gz CXHSPYFOBGEDJG-IBGZPJMESA-N 1 3 373.545 2.536 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000194469676 510379915 /nfs/dbraw/zinc/37/99/15/510379915.db2.gz UZNBQSYDUQFPCM-HXUWFJFHSA-N 1 3 358.530 2.771 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000171833757 510398676 /nfs/dbraw/zinc/39/86/76/510398676.db2.gz UYAZFTDYUHMZPO-GOSISDBHSA-N 1 3 360.546 2.927 20 0 FFADHO O=C(NCCN1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000171896601 510435482 /nfs/dbraw/zinc/43/54/82/510435482.db2.gz RONQRAGQKOEABJ-SEJPIABJSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NCCN1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000171896601 510435491 /nfs/dbraw/zinc/43/54/91/510435491.db2.gz RONQRAGQKOEABJ-SEJPIABJSA-N 1 3 370.541 2.967 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262887241 510459467 /nfs/dbraw/zinc/45/94/67/510459467.db2.gz ZQCLXQNVQJGKSX-QUCCMNQESA-N 1 3 369.513 2.621 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000246416865 510478302 /nfs/dbraw/zinc/47/83/02/510478302.db2.gz BQYBMGQUTJPXSX-MDNKFWRPSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000246416865 510478309 /nfs/dbraw/zinc/47/83/09/510478309.db2.gz BQYBMGQUTJPXSX-MDNKFWRPSA-N 1 3 356.514 2.528 20 0 FFADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000269670048 510505516 /nfs/dbraw/zinc/50/55/16/510505516.db2.gz ANMWHSMBKIKGKJ-KZNAEPCWSA-N 1 3 369.509 2.915 20 0 FFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000263106883 510564220 /nfs/dbraw/zinc/56/42/20/510564220.db2.gz ZYAHBXFTAXKEFG-AEFFLSMTSA-N 1 3 353.576 2.762 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1(C)C ZINC000188061830 510572525 /nfs/dbraw/zinc/57/25/25/510572525.db2.gz XGPQPSZAVCVWMN-RXVVDRJESA-N 1 3 361.530 2.676 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1(C)C ZINC000188061830 510572530 /nfs/dbraw/zinc/57/25/30/510572530.db2.gz XGPQPSZAVCVWMN-RXVVDRJESA-N 1 3 361.530 2.676 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)C[NH+]3CCCCC3)c2)CC1 ZINC000184904732 510574762 /nfs/dbraw/zinc/57/47/62/510574762.db2.gz NXOWOSIUVXATRQ-GOSISDBHSA-N 1 3 373.545 2.824 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000246697379 510623597 /nfs/dbraw/zinc/62/35/97/510623597.db2.gz VYXHXUZYIKOFCE-HNBVOPMISA-N 1 3 365.562 2.632 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246793332 510676908 /nfs/dbraw/zinc/67/69/08/510676908.db2.gz MKBDBMRDIGWHCG-FUHIMQAGSA-N 1 3 373.545 2.589 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246793332 510676914 /nfs/dbraw/zinc/67/69/14/510676914.db2.gz MKBDBMRDIGWHCG-FUHIMQAGSA-N 1 3 373.545 2.589 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175628251 510700411 /nfs/dbraw/zinc/70/04/11/510700411.db2.gz DKRNVTGBYSHTHW-TYPHKJRUSA-N 1 3 368.525 2.695 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000175628251 510700412 /nfs/dbraw/zinc/70/04/12/510700412.db2.gz DKRNVTGBYSHTHW-TYPHKJRUSA-N 1 3 368.525 2.695 20 0 FFADHO Cn1c2ccccc2nc1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266733438 510755384 /nfs/dbraw/zinc/75/53/84/510755384.db2.gz KAJJOJPAGLJXTF-UHFFFAOYSA-N 1 3 356.514 2.693 20 0 FFADHO CN1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccccc1 ZINC000270341783 510769435 /nfs/dbraw/zinc/76/94/35/510769435.db2.gz LEKBHCOTKHFOPJ-HLKUOHOZSA-N 1 3 356.514 2.746 20 0 FFADHO CN1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccccc1 ZINC000270341783 510769437 /nfs/dbraw/zinc/76/94/37/510769437.db2.gz LEKBHCOTKHFOPJ-HLKUOHOZSA-N 1 3 356.514 2.746 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000178834174 510796785 /nfs/dbraw/zinc/79/67/85/510796785.db2.gz VDRRGLPBJTURJF-MSOLQXFVSA-N 1 3 357.542 2.915 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178873629 510814681 /nfs/dbraw/zinc/81/46/81/510814681.db2.gz LIZRUAHLHVHAGU-ICSRJNTNSA-N 1 3 372.557 2.788 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000247052290 510817914 /nfs/dbraw/zinc/81/79/14/510817914.db2.gz NOQLNHMQALVMLD-VAMGGRTRSA-N 1 3 358.530 2.823 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000247059796 510821026 /nfs/dbraw/zinc/82/10/26/510821026.db2.gz NSNQGNJONNVRFW-IAGOWNOFSA-N 1 3 367.559 2.900 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000247059796 510821030 /nfs/dbraw/zinc/82/10/30/510821030.db2.gz NSNQGNJONNVRFW-IAGOWNOFSA-N 1 3 367.559 2.900 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000188581667 510834444 /nfs/dbraw/zinc/83/44/44/510834444.db2.gz UFBKBWYRMXSZJM-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([S@](C)=O)cc1 ZINC000182264428 510838296 /nfs/dbraw/zinc/83/82/96/510838296.db2.gz MJSLWAFGXXBPQO-DYAGGBNNSA-N 1 3 372.534 2.841 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([S@](C)=O)cc1 ZINC000182264428 510838298 /nfs/dbraw/zinc/83/82/98/510838298.db2.gz MJSLWAFGXXBPQO-DYAGGBNNSA-N 1 3 372.534 2.841 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000247122818 510839759 /nfs/dbraw/zinc/83/97/59/510839759.db2.gz LLUUUBGCXMCVQR-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000247122818 510839763 /nfs/dbraw/zinc/83/97/63/510839763.db2.gz LLUUUBGCXMCVQR-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182270481 510839832 /nfs/dbraw/zinc/83/98/32/510839832.db2.gz ADQIINGKXHDEKG-UZLBHIALSA-N 1 3 368.477 2.875 20 0 FFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182270481 510839835 /nfs/dbraw/zinc/83/98/35/510839835.db2.gz ADQIINGKXHDEKG-UZLBHIALSA-N 1 3 368.477 2.875 20 0 FFADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H](C)c3nccn3C)CC2)c1 ZINC000182286469 510843754 /nfs/dbraw/zinc/84/37/54/510843754.db2.gz BXSKWSGPXLXMBD-IBGZPJMESA-N 1 3 355.530 2.982 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000247368746 510858677 /nfs/dbraw/zinc/85/86/77/510858677.db2.gz NHMHAYHEXKDBMX-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000247368746 510858678 /nfs/dbraw/zinc/85/86/78/510858678.db2.gz NHMHAYHEXKDBMX-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO Cn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000275358069 510883709 /nfs/dbraw/zinc/88/37/09/510883709.db2.gz ASDDXNOBTLZMCL-PMACEKPBSA-N 1 3 354.498 2.894 20 0 FFADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285520348 510939549 /nfs/dbraw/zinc/93/95/49/510939549.db2.gz BDNIJUWXCJDSLA-OAHLLOKOSA-N 1 3 366.465 2.980 20 0 FFADHO COc1ccc2c(c1)C[C@H](NCc1ccncc1OCCC[NH+](C)C)CO2 ZINC000297444210 510948345 /nfs/dbraw/zinc/94/83/45/510948345.db2.gz WJRGFBUSFUCBLL-SFHVURJKSA-N 1 3 371.481 2.514 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1OC ZINC000285557338 510953939 /nfs/dbraw/zinc/95/39/39/510953939.db2.gz HAQPVGZYUNGWNN-INIZCTEOSA-N 1 3 363.546 2.559 20 0 FFADHO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000285674768 511005273 /nfs/dbraw/zinc/00/52/73/511005273.db2.gz QBUTUQACGIGOTJ-GOEBONIOSA-N 1 3 374.554 2.850 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000285674768 511005275 /nfs/dbraw/zinc/00/52/75/511005275.db2.gz QBUTUQACGIGOTJ-GOEBONIOSA-N 1 3 374.554 2.850 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285674768 511005277 /nfs/dbraw/zinc/00/52/77/511005277.db2.gz QBUTUQACGIGOTJ-GOEBONIOSA-N 1 3 374.554 2.850 20 0 FFADHO C[C@H](C(=O)N1C[C@H](CN(C)C)Oc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000361712035 511083499 /nfs/dbraw/zinc/08/34/99/511083499.db2.gz XWYQSWDWBAOPSZ-RIFZZMRRSA-N 1 3 353.466 2.678 20 0 FFADHO CN(Cc1cc(C[N@H+](C)C[C@H]2CCOC2)ccc1F)C[C@H]1CCOC1 ZINC000294903414 511214943 /nfs/dbraw/zinc/21/49/43/511214943.db2.gz HHFAKQWOVKEBHR-QZTJIDSGSA-N 1 3 350.478 2.762 20 0 FFADHO CN(Cc1cc(C[N@@H+](C)C[C@H]2CCOC2)ccc1F)C[C@H]1CCOC1 ZINC000294903414 511214951 /nfs/dbraw/zinc/21/49/51/511214951.db2.gz HHFAKQWOVKEBHR-QZTJIDSGSA-N 1 3 350.478 2.762 20 0 FFADHO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000365035411 511219372 /nfs/dbraw/zinc/21/93/72/511219372.db2.gz BIYUMHFNQWKUAA-CTNGQTDRSA-N 1 3 369.484 2.724 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000279838783 511235170 /nfs/dbraw/zinc/23/51/70/511235170.db2.gz LCGQUHFBUPUCRG-NRFANRHFSA-N 1 3 371.525 2.823 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@H+](C)C(C)C)c(OC)c1 ZINC000298378083 511263838 /nfs/dbraw/zinc/26/38/38/511263838.db2.gz CESMDRHVMNNGIU-HNNXBMFYSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@@H+](C)C(C)C)c(OC)c1 ZINC000298378083 511263842 /nfs/dbraw/zinc/26/38/42/511263842.db2.gz CESMDRHVMNNGIU-HNNXBMFYSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN(C)C(C)C)c(OC)c1 ZINC000298378083 511263845 /nfs/dbraw/zinc/26/38/45/511263845.db2.gz CESMDRHVMNNGIU-HNNXBMFYSA-N 1 3 351.491 2.741 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000365257898 511347031 /nfs/dbraw/zinc/34/70/31/511347031.db2.gz AZVPRLKLEGLTJA-VQTJNVASSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000365257898 511347036 /nfs/dbraw/zinc/34/70/36/511347036.db2.gz AZVPRLKLEGLTJA-VQTJNVASSA-N 1 3 358.530 2.695 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000280148430 511353690 /nfs/dbraw/zinc/35/36/90/511353690.db2.gz FBWOVUSOSUOMSA-ROUUACIJSA-N 1 3 363.546 2.813 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000299105773 511517387 /nfs/dbraw/zinc/51/73/87/511517387.db2.gz MUZPYAUZSZXOTJ-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000299105773 511517392 /nfs/dbraw/zinc/51/73/92/511517392.db2.gz MUZPYAUZSZXOTJ-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284368556 511698910 /nfs/dbraw/zinc/69/89/10/511698910.db2.gz OEBBKVUGRMFGOD-CABCVRRESA-N 1 3 354.926 2.668 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303427031 511738624 /nfs/dbraw/zinc/73/86/24/511738624.db2.gz AXAOYKBZFFEDOA-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303427031 511738629 /nfs/dbraw/zinc/73/86/29/511738629.db2.gz AXAOYKBZFFEDOA-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CN(C2CC2)CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000296531198 511784453 /nfs/dbraw/zinc/78/44/53/511784453.db2.gz DEBFYUOZRNDNTG-FQEVSTJZSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@@H]1CN(C2CC2)CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000296531198 511784458 /nfs/dbraw/zinc/78/44/58/511784458.db2.gz DEBFYUOZRNDNTG-FQEVSTJZSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@H]1CN(CCCN2CCN(c3ccccc3)CC2)CC[N@@H+](C2CC2)C1 ZINC000296531198 511784464 /nfs/dbraw/zinc/78/44/64/511784464.db2.gz DEBFYUOZRNDNTG-FQEVSTJZSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@H]1CN(CCCN2CCN(c3ccccc3)CC2)CC[N@H+](C2CC2)C1 ZINC000296531198 511784468 /nfs/dbraw/zinc/78/44/68/511784468.db2.gz DEBFYUOZRNDNTG-FQEVSTJZSA-N 1 3 356.558 2.615 20 0 FFADHO C[C@H](NC(=O)N(C)CCN(C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274524465 511863408 /nfs/dbraw/zinc/86/34/08/511863408.db2.gz OYPWXXJHYBNKRL-HKUYNNGSSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)CCN(C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274524465 511863417 /nfs/dbraw/zinc/86/34/17/511863417.db2.gz OYPWXXJHYBNKRL-HKUYNNGSSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000366291485 511942149 /nfs/dbraw/zinc/94/21/49/511942149.db2.gz XOJYKBRYLMGNLU-SIKLNZKXSA-N 1 3 358.574 2.513 20 0 FFADHO CO[C@]1(C)CCCN(CC2(C[N@@H+]3CCC[C@](C)(OC)CC3)COC2)CC1 ZINC000366467554 512039122 /nfs/dbraw/zinc/03/91/22/512039122.db2.gz AXQIVMKGZNFNRL-BGYRXZFFSA-N 1 3 368.562 2.785 20 0 FFADHO CO[C@]1(C)CCCN(CC2(C[N@H+]3CCC[C@](C)(OC)CC3)COC2)CC1 ZINC000366467554 512039129 /nfs/dbraw/zinc/03/91/29/512039129.db2.gz AXQIVMKGZNFNRL-BGYRXZFFSA-N 1 3 368.562 2.785 20 0 FFADHO CO[C@]1(C)CCC[N@@H+](CC2(CN3CCC[C@](C)(OC)CC3)COC2)CC1 ZINC000366467554 512039136 /nfs/dbraw/zinc/03/91/36/512039136.db2.gz AXQIVMKGZNFNRL-BGYRXZFFSA-N 1 3 368.562 2.785 20 0 FFADHO CO[C@]1(C)CCC[N@H+](CC2(CN3CCC[C@](C)(OC)CC3)COC2)CC1 ZINC000366467554 512039142 /nfs/dbraw/zinc/03/91/42/512039142.db2.gz AXQIVMKGZNFNRL-BGYRXZFFSA-N 1 3 368.562 2.785 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4CCN(C)C[C@@H]43)CC2)CC1 ZINC000371560913 512466555 /nfs/dbraw/zinc/46/65/55/512466555.db2.gz PHYZASJEAOJGEX-OAHAVBBTSA-N 1 3 362.562 2.765 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000373714223 512469747 /nfs/dbraw/zinc/46/97/47/512469747.db2.gz VVVDXJSSVFFNKX-YUMYIRISSA-N 1 3 358.526 2.938 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1=CCN(C)CC1 ZINC000371575961 512474233 /nfs/dbraw/zinc/47/42/33/512474233.db2.gz SHYNQIAMPFVMBG-OALUTQOASA-N 1 3 362.562 2.790 20 0 FFADHO CN1CCC[C@H](N2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000367472872 512516948 /nfs/dbraw/zinc/51/69/48/512516948.db2.gz XUHGCMXAIPBCSY-QFIPXVFZSA-N 1 3 372.601 2.856 20 0 FFADHO CN1CCC[C@H](N2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000367472872 512516949 /nfs/dbraw/zinc/51/69/49/512516949.db2.gz XUHGCMXAIPBCSY-QFIPXVFZSA-N 1 3 372.601 2.856 20 0 FFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCN(C2CCOCC2)CC1 ZINC000411301046 512570304 /nfs/dbraw/zinc/57/03/04/512570304.db2.gz CNNQJZWVERQGED-UHFFFAOYSA-N 1 3 357.542 2.969 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000373933019 512578918 /nfs/dbraw/zinc/57/89/18/512578918.db2.gz JQPQEGBNRSNKGC-VAMGGRTRSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000373933019 512578925 /nfs/dbraw/zinc/57/89/25/512578925.db2.gz JQPQEGBNRSNKGC-VAMGGRTRSA-N 1 3 356.514 2.577 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000369781394 512607625 /nfs/dbraw/zinc/60/76/25/512607625.db2.gz DQYVMKVMTXWSAI-QGZVFWFLSA-N 1 3 360.502 2.637 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000369781394 512607626 /nfs/dbraw/zinc/60/76/26/512607626.db2.gz DQYVMKVMTXWSAI-QGZVFWFLSA-N 1 3 360.502 2.637 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2cccn2C2CC[NH2+]CC2)N(C)C)cc1 ZINC000378209819 512639728 /nfs/dbraw/zinc/63/97/28/512639728.db2.gz UDJVUVZYZAGTQN-FQEVSTJZSA-N 1 3 354.498 2.754 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H]3C3CCCCC3)CC2)CC1 ZINC000374120480 512668124 /nfs/dbraw/zinc/66/81/24/512668124.db2.gz PCEDWSIQHJNMGQ-PMACEKPBSA-N 1 3 362.562 2.813 20 0 FFADHO COc1cccc(CNC(=O)[C@H](C)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374161266 512686198 /nfs/dbraw/zinc/68/61/98/512686198.db2.gz LXRHSEMNBFTAOW-KRWDZBQOSA-N 1 3 359.514 2.508 20 0 FFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000411556524 512687752 /nfs/dbraw/zinc/68/77/52/512687752.db2.gz XSBCDOJDCGEXPB-FPOVZHCZSA-N 1 3 357.542 2.978 20 0 FFADHO OC[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccnc1 ZINC000367904315 512716169 /nfs/dbraw/zinc/71/61/69/512716169.db2.gz QEENIVAXDOGIED-MYGLTJDJSA-N 1 3 351.494 2.943 20 0 FFADHO OC[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC000367904315 512716172 /nfs/dbraw/zinc/71/61/72/512716172.db2.gz QEENIVAXDOGIED-MYGLTJDJSA-N 1 3 351.494 2.943 20 0 FFADHO COc1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc(OC)c1O ZINC000368028705 512770772 /nfs/dbraw/zinc/77/07/72/512770772.db2.gz FRPRYJJCGNYTIB-UHFFFAOYSA-N 1 3 357.454 2.811 20 0 FFADHO CN1CCC(N2CC[C@H]([NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000372393401 512850470 /nfs/dbraw/zinc/85/04/70/512850470.db2.gz SJDTTWQTDZISCG-ABHNRTSZSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390795452 512910593 /nfs/dbraw/zinc/91/05/93/512910593.db2.gz ZVFCNSHUJAUQRF-FQEVSTJZSA-N 1 3 351.494 2.843 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCN2CCC1CC2 ZINC000376817456 513000079 /nfs/dbraw/zinc/00/00/79/513000079.db2.gz BTBPWSLLAAANOB-UHFFFAOYSA-N 1 3 356.514 2.662 20 0 FFADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412275016 513020440 /nfs/dbraw/zinc/02/04/40/513020440.db2.gz WJKLVQLKLLXRIC-GOSISDBHSA-N 1 3 373.541 2.590 20 0 FFADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412275016 513020443 /nfs/dbraw/zinc/02/04/43/513020443.db2.gz WJKLVQLKLLXRIC-GOSISDBHSA-N 1 3 373.541 2.590 20 0 FFADHO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000370670969 513044594 /nfs/dbraw/zinc/04/45/94/513044594.db2.gz KBGULNHDONMDPT-KXBFYZLASA-N 1 3 354.498 2.934 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000439689414 513164039 /nfs/dbraw/zinc/16/40/39/513164039.db2.gz BWQJAZHNJKVQLK-IBGZPJMESA-N 1 3 365.562 2.648 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000439689414 513164043 /nfs/dbraw/zinc/16/40/43/513164043.db2.gz BWQJAZHNJKVQLK-IBGZPJMESA-N 1 3 365.562 2.648 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccs1 ZINC000417738251 513189125 /nfs/dbraw/zinc/18/91/25/513189125.db2.gz OPVGXUDSGYEFIU-XLMAVXFVSA-N 1 3 362.543 2.667 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@H]1CC[NH2+]C1 ZINC000417743912 513191997 /nfs/dbraw/zinc/19/19/97/513191997.db2.gz XTFDVCRIIQBYNL-XYJFISCASA-N 1 3 364.559 2.915 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433961362 513200691 /nfs/dbraw/zinc/20/06/91/513200691.db2.gz IFNIOYKOZPTDKV-HKUYNNGSSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433961362 513200697 /nfs/dbraw/zinc/20/06/97/513200697.db2.gz IFNIOYKOZPTDKV-HKUYNNGSSA-N 1 3 350.551 2.671 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000446227704 513212812 /nfs/dbraw/zinc/21/28/12/513212812.db2.gz PXHBGZNITXAYJU-GOSISDBHSA-N 1 3 374.529 2.967 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000417828302 513224757 /nfs/dbraw/zinc/22/47/57/513224757.db2.gz FEBMVVFSWOKAMB-MKJMBMEGSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1Cc1ccccc1 ZINC000417834530 513229539 /nfs/dbraw/zinc/22/95/39/513229539.db2.gz KBSKQKQFULCLQV-WJMWBRGCSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417837709 513230971 /nfs/dbraw/zinc/23/09/71/513230971.db2.gz XPHZNKKIAIKAHH-WJMWBRGCSA-N 1 3 370.541 2.538 20 0 FFADHO CCCN1C[C@@H](C[NH2+]Cc2ccccc2N2CCN(CCC)CC2)CC1=O ZINC000421346612 513232125 /nfs/dbraw/zinc/23/21/25/513232125.db2.gz DAHLLANKNPHWNF-LJQANCHMSA-N 1 3 372.557 2.567 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000417857031 513241605 /nfs/dbraw/zinc/24/16/05/513241605.db2.gz XHHRWWGGFUKBRB-OAQYLSRUSA-N 1 3 372.557 2.931 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417935470 513287675 /nfs/dbraw/zinc/28/76/75/513287675.db2.gz RDJFSOIEQHWLAH-JXFKEZNVSA-N 1 3 367.497 2.606 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417935338 513287697 /nfs/dbraw/zinc/28/76/97/513287697.db2.gz QSMRMUKKEMSFCA-FRQCXROJSA-N 1 3 359.518 2.518 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418029953 513341992 /nfs/dbraw/zinc/34/19/92/513341992.db2.gz JHVDONITLANTPO-FQEVSTJZSA-N 1 3 372.557 2.928 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000418065124 513359285 /nfs/dbraw/zinc/35/92/85/513359285.db2.gz LBETXJSSTUUPDP-ZWKOTPCHSA-N 1 3 358.530 2.810 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000446937094 513363452 /nfs/dbraw/zinc/36/34/52/513363452.db2.gz QBLNCMYYOOFVOD-NSHGMRRFSA-N 1 3 357.502 2.881 20 0 FFADHO COC1(C[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1 ZINC000429421804 513373138 /nfs/dbraw/zinc/37/31/38/513373138.db2.gz GCPKGZQEDYGDTH-SFHVURJKSA-N 1 3 373.541 2.950 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000418138633 513387676 /nfs/dbraw/zinc/38/76/76/513387676.db2.gz JKLKUIPNUVLTQG-ICSRJNTNSA-N 1 3 358.530 2.667 20 0 FFADHO CCCN(C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000418144585 513389612 /nfs/dbraw/zinc/38/96/12/513389612.db2.gz NLYBDEHLWVLTMY-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000418155016 513395054 /nfs/dbraw/zinc/39/50/54/513395054.db2.gz WHBHZWVVHQPLIR-JXFKEZNVSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C[C@H]1C[NH3+] ZINC000418157368 513396511 /nfs/dbraw/zinc/39/65/11/513396511.db2.gz OEPUGTFRUQAGOX-MISYRCLQSA-N 1 3 372.557 2.913 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000418165393 513401206 /nfs/dbraw/zinc/40/12/06/513401206.db2.gz JIHCEDJIDSNFQO-KBXCAEBGSA-N 1 3 356.470 2.811 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[NH+]1CCC(C)CC1 ZINC000440775379 513401623 /nfs/dbraw/zinc/40/16/23/513401623.db2.gz NPROTZLEYQSZLE-ZIFCJYIRSA-N 1 3 350.551 2.667 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC2(C1)CC[NH2+]CC2)N(C)C ZINC000418180315 513408018 /nfs/dbraw/zinc/40/80/18/513408018.db2.gz KFVAZOMQUJUBIJ-IEBWSBKVSA-N 1 3 358.530 2.771 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)N(C)C)cc1 ZINC000418189058 513413796 /nfs/dbraw/zinc/41/37/96/513413796.db2.gz HFLDGKUDPOWBKD-ACRUOGEOSA-N 1 3 372.557 2.881 20 0 FFADHO C[NH+](C)CCOc1ccc(CCNCc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440827670 513416284 /nfs/dbraw/zinc/41/62/84/513416284.db2.gz ZHTUFUAPACKBLQ-UHFFFAOYSA-N 1 3 356.392 2.701 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)N(C)C)cc1 ZINC000418199881 513417777 /nfs/dbraw/zinc/41/77/77/513417777.db2.gz XUJHGMPTKYRVJM-UXPWSPDFSA-N 1 3 360.546 2.867 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000418200768 513418891 /nfs/dbraw/zinc/41/88/91/513418891.db2.gz YRBUXYKCQAKLIP-AYWYSENESA-N 1 3 370.541 2.681 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)N(CC)CC)cc1 ZINC000418217509 513426507 /nfs/dbraw/zinc/42/65/07/513426507.db2.gz PFHUOKFLJXYTNN-VDGAXYAQSA-N 1 3 360.546 2.929 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000418229933 513432691 /nfs/dbraw/zinc/43/26/91/513432691.db2.gz IIYBROCNOWIBGS-YOEHRIQHSA-N 1 3 352.548 2.828 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418236710 513434581 /nfs/dbraw/zinc/43/45/81/513434581.db2.gz UYWRNZLEYZBSDU-HFTRVMKXSA-N 1 3 364.559 2.638 20 0 FFADHO COc1ccc([C@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)C(C)C)c(F)c1 ZINC000421823476 513445678 /nfs/dbraw/zinc/44/56/78/513445678.db2.gz DBVBVYLKANFCNZ-HNAYVOBHSA-N 1 3 365.493 2.708 20 0 FFADHO COC1([C@H](C)[NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCCC1 ZINC000421840611 513449858 /nfs/dbraw/zinc/44/98/58/513449858.db2.gz ZZZNYTIVHYKRQO-FXAWDEMLSA-N 1 3 373.541 2.821 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000441016085 513460422 /nfs/dbraw/zinc/46/04/22/513460422.db2.gz SOQXXEQGVBYOIC-RBUKOAKNSA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000441016085 513460426 /nfs/dbraw/zinc/46/04/26/513460426.db2.gz SOQXXEQGVBYOIC-RBUKOAKNSA-N 1 3 362.562 2.959 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)NCCC[NH3+])Cc1ccccc1 ZINC000418319337 513460793 /nfs/dbraw/zinc/46/07/93/513460793.db2.gz AOVVPDZEXNQEML-UHFFFAOYSA-N 1 3 354.498 2.679 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415958755 513499446 /nfs/dbraw/zinc/49/94/46/513499446.db2.gz MDRVVYMZUBZYTN-UHFFFAOYSA-N 1 3 356.470 2.620 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC([NH3+])(CC)CC ZINC000418433476 513509120 /nfs/dbraw/zinc/50/91/20/513509120.db2.gz CMZVWUHHJIZNAF-SFHVURJKSA-N 1 3 361.534 2.595 20 0 FFADHO C[C@@H]1CN(C(=O)NCC[NH2+]C2CCCCCC2)CCN(C2CCC2)C1 ZINC000418441479 513512243 /nfs/dbraw/zinc/51/22/43/513512243.db2.gz IOGCBJHUZSZDJN-KRWDZBQOSA-N 1 3 350.551 2.815 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425330746 513516143 /nfs/dbraw/zinc/51/61/43/513516143.db2.gz YFABXMUHLNIMRC-PCCBWWKXSA-N 1 3 355.526 2.984 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425330746 513516145 /nfs/dbraw/zinc/51/61/45/513516145.db2.gz YFABXMUHLNIMRC-PCCBWWKXSA-N 1 3 355.526 2.984 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H](N)c3ccccc3)C2)CC1 ZINC000418454282 513517398 /nfs/dbraw/zinc/51/73/98/513517398.db2.gz QBFKCRKZAWJRSV-AZUAARDMSA-N 1 3 358.530 2.840 20 0 FFADHO C[C@H](C[NH3+])CNC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418481373 513528370 /nfs/dbraw/zinc/52/83/70/513528370.db2.gz DFUFZUYGEICBBI-YLJYHZDGSA-N 1 3 372.557 2.913 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000416015394 513539800 /nfs/dbraw/zinc/53/98/00/513539800.db2.gz WGBCHEFJKPESDM-GDBMZVCRSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@H]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418521861 513543167 /nfs/dbraw/zinc/54/31/67/513543167.db2.gz RUMCUONOMGIRMO-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO CCCN(C(=O)NCC1=CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418542244 513549992 /nfs/dbraw/zinc/54/99/92/513549992.db2.gz RGCQCQYPIZUGFS-NRFANRHFSA-N 1 3 370.541 2.992 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418552117 513554661 /nfs/dbraw/zinc/55/46/61/513554661.db2.gz KAFQJMWMHQOAGS-UHFFFAOYSA-N 1 3 352.482 2.563 20 0 FFADHO CN(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418561248 513558898 /nfs/dbraw/zinc/55/88/98/513558898.db2.gz YEPAJSYPMVERIW-OAQYLSRUSA-N 1 3 364.493 2.706 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000418609714 513577387 /nfs/dbraw/zinc/57/73/87/513577387.db2.gz SPFKHDOEOOLDTC-WMLDXEAASA-N 1 3 352.910 2.554 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418622315 513579156 /nfs/dbraw/zinc/57/91/56/513579156.db2.gz NDSNQJUZYGYSSS-PIKOESSRSA-N 1 3 358.530 2.994 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc(F)cc1 ZINC000418623210 513581169 /nfs/dbraw/zinc/58/11/69/513581169.db2.gz WYAOZDVTVAPLKW-SJORKVTESA-N 1 3 350.482 2.506 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc(F)cc1 ZINC000418623208 513581695 /nfs/dbraw/zinc/58/16/95/513581695.db2.gz WYAOZDVTVAPLKW-IRXDYDNUSA-N 1 3 350.482 2.506 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000430221074 513591532 /nfs/dbraw/zinc/59/15/32/513591532.db2.gz BNUXGKXVUZPURS-PZJWPPBQSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000416144557 513596927 /nfs/dbraw/zinc/59/69/27/513596927.db2.gz JKLOYRUFKZYIFI-NRFANRHFSA-N 1 3 355.526 2.912 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418666816 513602614 /nfs/dbraw/zinc/60/26/14/513602614.db2.gz DMPDWWWSVRQBJO-GHTZIAJQSA-N 1 3 358.530 2.812 20 0 FFADHO N[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000418669224 513603424 /nfs/dbraw/zinc/60/34/24/513603424.db2.gz JFNUDBCWBWQNDM-ZCNNSNEGSA-N 1 3 352.482 2.603 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416152854 513604643 /nfs/dbraw/zinc/60/46/43/513604643.db2.gz ZHXIQVIBIVZOSQ-LJQANCHMSA-N 1 3 361.530 2.685 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000418676304 513608293 /nfs/dbraw/zinc/60/82/93/513608293.db2.gz YSFVBVDXAIFEDE-WGSAOQKQSA-N 1 3 358.530 2.669 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418690902 513613776 /nfs/dbraw/zinc/61/37/76/513613776.db2.gz HKWVPYMYGSPDCW-PKOBYXMFSA-N 1 3 361.534 2.595 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416171026 513619090 /nfs/dbraw/zinc/61/90/90/513619090.db2.gz NQBIUSVIFHHCPG-LJQANCHMSA-N 1 3 355.526 2.625 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416171026 513619096 /nfs/dbraw/zinc/61/90/96/513619096.db2.gz NQBIUSVIFHHCPG-LJQANCHMSA-N 1 3 355.526 2.625 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000418715241 513622152 /nfs/dbraw/zinc/62/21/52/513622152.db2.gz IKNZJIBHHLDVLX-RTWAWAEBSA-N 1 3 372.557 2.854 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418728553 513627319 /nfs/dbraw/zinc/62/73/19/513627319.db2.gz NILTUMXETCJTTM-VAMGGRTRSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418728552 513627868 /nfs/dbraw/zinc/62/78/68/513627868.db2.gz NILTUMXETCJTTM-HSALFYBXSA-N 1 3 358.530 2.810 20 0 FFADHO COc1cc(NC(=O)CCN(C)[C@H]2CCC[NH2+]CC2)c(OC)cc1Cl ZINC000435623809 513640377 /nfs/dbraw/zinc/64/03/77/513640377.db2.gz VYDBVRWKCJNRNW-ZDUSSCGKSA-N 1 3 369.893 2.760 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425560901 513640463 /nfs/dbraw/zinc/64/04/63/513640463.db2.gz NLRLCDYTXSTADT-GKYDQMIMSA-N 1 3 370.541 2.775 20 0 FFADHO CS[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1N1CCCC1 ZINC000416197878 513641016 /nfs/dbraw/zinc/64/10/16/513641016.db2.gz JCLAKWZYVHKIOW-GUDVDZBRSA-N 1 3 361.555 2.718 20 0 FFADHO CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418768496 513648886 /nfs/dbraw/zinc/64/88/86/513648886.db2.gz MLEMYCJCHSUHKQ-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000442194352 513682583 /nfs/dbraw/zinc/68/25/83/513682583.db2.gz XCAALLOWPSRLAH-UHFFFAOYSA-N 1 3 362.518 2.869 20 0 FFADHO [NH3+]CCCOC1CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000430574052 513692314 /nfs/dbraw/zinc/69/23/14/513692314.db2.gz SEEGWTOZWFHUCP-UHFFFAOYSA-N 1 3 364.877 2.762 20 0 FFADHO COc1cc(NC(=O)CCN(C)CC(C)(C)C[NH3+])c(OC)cc1Cl ZINC000430583273 513696010 /nfs/dbraw/zinc/69/60/10/513696010.db2.gz XHVZOOOEQOWRRQ-UHFFFAOYSA-N 1 3 357.882 2.603 20 0 FFADHO COc1cc(NC(=O)CC[N@H+](C)CC(C)(C)CN)c(OC)cc1Cl ZINC000430583273 513696017 /nfs/dbraw/zinc/69/60/17/513696017.db2.gz XHVZOOOEQOWRRQ-UHFFFAOYSA-N 1 3 357.882 2.603 20 0 FFADHO COc1cc(NC(=O)CC[N@@H+](C)CC(C)(C)CN)c(OC)cc1Cl ZINC000430583273 513696026 /nfs/dbraw/zinc/69/60/26/513696026.db2.gz XHVZOOOEQOWRRQ-UHFFFAOYSA-N 1 3 357.882 2.603 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1CCC(OCCC[NH3+])CC1 ZINC000430588005 513698031 /nfs/dbraw/zinc/69/80/31/513698031.db2.gz YFLQFDIKJNWCCV-UHFFFAOYSA-N 1 3 369.893 2.507 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000448221205 513711741 /nfs/dbraw/zinc/71/17/41/513711741.db2.gz WXGVIZKSWASVCV-IPMKNSEASA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000448221205 513711744 /nfs/dbraw/zinc/71/17/44/513711744.db2.gz WXGVIZKSWASVCV-IPMKNSEASA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430768762 513744634 /nfs/dbraw/zinc/74/46/34/513744634.db2.gz ZPXBUMQARZBHQU-LVCYWYKZSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430768762 513744638 /nfs/dbraw/zinc/74/46/38/513744638.db2.gz ZPXBUMQARZBHQU-LVCYWYKZSA-N 1 3 373.541 2.549 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000430775117 513746084 /nfs/dbraw/zinc/74/60/84/513746084.db2.gz IUYBDTAVHLIQGN-NHCUHLMSSA-N 1 3 373.541 2.557 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000430908824 513778657 /nfs/dbraw/zinc/77/86/57/513778657.db2.gz KYBQKFBTZYSMQJ-ANULTFPQSA-N 1 3 373.541 2.733 20 0 FFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000442890299 513805764 /nfs/dbraw/zinc/80/57/64/513805764.db2.gz OGVIYVKHBRYZGZ-OAHLLOKOSA-N 1 3 358.530 2.593 20 0 FFADHO O=C(N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436294994 513819644 /nfs/dbraw/zinc/81/96/44/513819644.db2.gz XYKQMDBSWIJKEF-YMPZKCBVSA-N 1 3 367.537 2.891 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000443006223 513840937 /nfs/dbraw/zinc/84/09/37/513840937.db2.gz HRIJZNRSQKTQGO-HNNXBMFYSA-N 1 3 357.420 2.691 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000443006224 513841335 /nfs/dbraw/zinc/84/13/35/513841335.db2.gz HRIJZNRSQKTQGO-OAHLLOKOSA-N 1 3 357.420 2.691 20 0 FFADHO CO[C@@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000451574742 513843927 /nfs/dbraw/zinc/84/39/27/513843927.db2.gz RXZXHIDMUMBNAY-WAOWUJCRSA-N 1 3 373.541 2.513 20 0 FFADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2c[nH]nc2-c2ccsc2)C1 ZINC000436401455 513845256 /nfs/dbraw/zinc/84/52/56/513845256.db2.gz PMTXFBIECDPQEU-IBGZPJMESA-N 1 3 368.506 2.995 20 0 FFADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2c[nH]nc2-c2ccsc2)C1 ZINC000436401455 513845264 /nfs/dbraw/zinc/84/52/64/513845264.db2.gz PMTXFBIECDPQEU-IBGZPJMESA-N 1 3 368.506 2.995 20 0 FFADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC[C@H](CC[NH3+])C1 ZINC000443061408 513859620 /nfs/dbraw/zinc/85/96/20/513859620.db2.gz RRLBSYDYHBLIDU-ZIAGYGMSSA-N 1 3 355.885 2.887 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(CN2CCOCC2)c1 ZINC000422688844 513903813 /nfs/dbraw/zinc/90/38/13/513903813.db2.gz DFTBIZXQOIMKCN-AVRDEDQJSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000422688844 513903820 /nfs/dbraw/zinc/90/38/20/513903820.db2.gz DFTBIZXQOIMKCN-AVRDEDQJSA-N 1 3 353.510 2.567 20 0 FFADHO Cc1cc(NC(=O)c2cccc(CN(C)C)c2)n(C2CC[NH+](C)CC2)n1 ZINC000431524630 513919614 /nfs/dbraw/zinc/91/96/14/513919614.db2.gz MBLGZKZGJJHUCW-UHFFFAOYSA-N 1 3 355.486 2.772 20 0 FFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422770225 513926504 /nfs/dbraw/zinc/92/65/04/513926504.db2.gz PXFBKZJMVAVOEU-BHIFYINESA-N 1 3 357.542 2.919 20 0 FFADHO c1ccc(CN2CCO[C@H](CN[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1 ZINC000422768040 513926585 /nfs/dbraw/zinc/92/65/85/513926585.db2.gz NNBFKTNEYUFYMM-ZLNRFVROSA-N 1 3 365.521 2.970 20 0 FFADHO Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422830404 513945408 /nfs/dbraw/zinc/94/54/08/513945408.db2.gz QZERACWZUPJMTN-MBDNFAEBSA-N 1 3 357.542 2.879 20 0 FFADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422855204 513953387 /nfs/dbraw/zinc/95/33/87/513953387.db2.gz DSPKDRATXATSMG-FVTFTPSCSA-N 1 3 356.558 2.707 20 0 FFADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422855210 513954055 /nfs/dbraw/zinc/95/40/55/513954055.db2.gz DSPKDRATXATSMG-ZHHKINOHSA-N 1 3 356.558 2.707 20 0 FFADHO Cc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c(N2CCOCC2)c1 ZINC000422864014 513955968 /nfs/dbraw/zinc/95/59/68/513955968.db2.gz MHWNOXHYHDFIAA-INIZCTEOSA-N 1 3 354.498 2.845 20 0 FFADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCC[C@H]2N)c2c(F)cccc2Cl)CCO1 ZINC000422874434 513959765 /nfs/dbraw/zinc/95/97/65/513959765.db2.gz CXOAGXSTJJHQDJ-BASLNEPJSA-N 1 3 355.885 2.710 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422883271 513962846 /nfs/dbraw/zinc/96/28/46/513962846.db2.gz QILREIVTLJKPNP-VOQZNFBZSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422883271 513962853 /nfs/dbraw/zinc/96/28/53/513962853.db2.gz QILREIVTLJKPNP-VOQZNFBZSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CN1CCCCC1 ZINC000414071064 513963392 /nfs/dbraw/zinc/96/33/92/513963392.db2.gz LOVCDDTUFMOQDM-CABCVRRESA-N 1 3 370.335 2.711 20 0 FFADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1OCCC(C)C ZINC000422882615 513963429 /nfs/dbraw/zinc/96/34/29/513963429.db2.gz PGJUMCYQHDCRIQ-BPQIPLTHSA-N 1 3 350.503 2.962 20 0 FFADHO COC[C@@H](CCC[NH3+])NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422895889 513968117 /nfs/dbraw/zinc/96/81/17/513968117.db2.gz XEBKVGMEDLWTKS-LJQANCHMSA-N 1 3 359.445 2.922 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416828367 513987580 /nfs/dbraw/zinc/98/75/80/513987580.db2.gz RXYNOTODOLVAND-MJGOQNOKSA-N 1 3 362.518 2.649 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c2cccs2)CC1 ZINC000416832751 513990127 /nfs/dbraw/zinc/99/01/27/513990127.db2.gz IVLDJHANEFLYPI-IKGGRYGDSA-N 1 3 362.543 2.524 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422956146 513990970 /nfs/dbraw/zinc/99/09/70/513990970.db2.gz KTAFOTOXUVUWIM-XJKSGUPXSA-N 1 3 350.434 2.560 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416841262 513995787 /nfs/dbraw/zinc/99/57/87/513995787.db2.gz LWCVLKFBOKVCSF-PCCBWWKXSA-N 1 3 372.557 2.723 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)N(C)C)cc1 ZINC000416841403 513997178 /nfs/dbraw/zinc/99/71/78/513997178.db2.gz LYHLKWLUMXIRKV-OAQYLSRUSA-N 1 3 366.509 2.954 20 0 FFADHO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N(C)C)cc1OC ZINC000422986488 514000595 /nfs/dbraw/zinc/00/05/95/514000595.db2.gz HAEHBQGYZGWOMK-AUUYWEPGSA-N 1 3 372.513 2.819 20 0 FFADHO CN(C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)Cc1ccccc1 ZINC000416851149 514003863 /nfs/dbraw/zinc/00/38/63/514003863.db2.gz QSVJNUNISPVCPW-NHCUHLMSSA-N 1 3 368.525 2.939 20 0 FFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(OC)cc1 ZINC000414191190 514004993 /nfs/dbraw/zinc/00/49/93/514004993.db2.gz LDCBZAVLWIAUDZ-HXUWFJFHSA-N 1 3 361.530 2.533 20 0 FFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CCC2 ZINC000414193432 514006302 /nfs/dbraw/zinc/00/63/02/514006302.db2.gz MVXIWDGULFVSOC-NRFANRHFSA-N 1 3 357.542 2.759 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423041514 514016627 /nfs/dbraw/zinc/01/66/27/514016627.db2.gz JFYUASJQOCCNST-MYLCLEHYSA-N 1 3 358.313 2.914 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423056909 514021070 /nfs/dbraw/zinc/02/10/70/514021070.db2.gz ZAOLGJLJGYWPIJ-JGGQBBKZSA-N 1 3 355.404 2.523 20 0 FFADHO CN(C)[C@H](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000431859392 514022066 /nfs/dbraw/zinc/02/20/66/514022066.db2.gz FVJTXIGXVNVCLU-HBMCJLEFSA-N 1 3 373.541 2.564 20 0 FFADHO C[C@]1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423058812 514022594 /nfs/dbraw/zinc/02/25/94/514022594.db2.gz DEZAFVFVHODCTA-GXRSIYKFSA-N 1 3 357.542 2.788 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423075392 514029261 /nfs/dbraw/zinc/02/92/61/514029261.db2.gz OLAHFVHNKRRRFD-JLJPHGGASA-N 1 3 355.320 2.707 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccc(F)cc2)[C@H](C)C1 ZINC000414295099 514037607 /nfs/dbraw/zinc/03/76/07/514037607.db2.gz QQVJWUMFUKINIQ-POAQFYNOSA-N 1 3 352.494 2.628 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](CO)c2ccc(F)cc2)[C@H](C)C1 ZINC000414295099 514037616 /nfs/dbraw/zinc/03/76/16/514037616.db2.gz QQVJWUMFUKINIQ-POAQFYNOSA-N 1 3 352.494 2.628 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(S(C)(=O)=O)s2)C1 ZINC000414298149 514038420 /nfs/dbraw/zinc/03/84/20/514038420.db2.gz ZAHHOHFJFNZEHR-GJZGRUSLSA-N 1 3 358.573 2.999 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423101377 514042411 /nfs/dbraw/zinc/04/24/11/514042411.db2.gz CUJVCSOWIYDPTQ-QKGCVVFFSA-N 1 3 365.547 2.574 20 0 FFADHO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000414320076 514045010 /nfs/dbraw/zinc/04/50/10/514045010.db2.gz BAMMHDNUVHXMNT-NHCUHLMSSA-N 1 3 373.541 2.677 20 0 FFADHO CS(=O)(=O)c1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc(C(F)(F)F)c1 ZINC000423113767 514046923 /nfs/dbraw/zinc/04/69/23/514046923.db2.gz ZARQIAIEWRSTET-HUUCEWRRSA-N 1 3 364.433 2.859 20 0 FFADHO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414329488 514051022 /nfs/dbraw/zinc/05/10/22/514051022.db2.gz QPUZCLOOAVYDCD-KRWDZBQOSA-N 1 3 373.541 2.679 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCC(C)(C)N2CCOCC2)CC1 ZINC000449059333 514055482 /nfs/dbraw/zinc/05/54/82/514055482.db2.gz BJYICIHIDFTMKY-LJQANCHMSA-N 1 3 359.558 2.782 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000423143619 514057992 /nfs/dbraw/zinc/05/79/92/514057992.db2.gz XOPKBOIFJRSMDK-UGNRZPKXSA-N 1 3 362.514 2.508 20 0 FFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)c(Br)c1 ZINC000423151444 514061801 /nfs/dbraw/zinc/06/18/01/514061801.db2.gz DFBSVXWAJLMKOF-JKXDFHQYSA-N 1 3 371.294 2.612 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449080376 514063434 /nfs/dbraw/zinc/06/34/34/514063434.db2.gz VRIWFGSMHZVHGI-ZDUSSCGKSA-N 1 3 358.299 2.704 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423162446 514065946 /nfs/dbraw/zinc/06/59/46/514065946.db2.gz PEGMMBAZXBADDX-VUCTXSBTSA-N 1 3 373.310 2.989 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423162444 514066166 /nfs/dbraw/zinc/06/61/66/514066166.db2.gz PEGMMBAZXBADDX-JCURWCKSSA-N 1 3 373.310 2.989 20 0 FFADHO OC[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423173851 514069659 /nfs/dbraw/zinc/06/96/59/514069659.db2.gz AIEIARZYCFSLFN-NBHGPNQESA-N 1 3 356.441 2.747 20 0 FFADHO COc1ccc(-n2cc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)cn2)cc1 ZINC000449100199 514071877 /nfs/dbraw/zinc/07/18/77/514071877.db2.gz BEBOHVODDIDJGL-ROUUACIJSA-N 1 3 372.513 2.860 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000420309860 514084832 /nfs/dbraw/zinc/08/48/32/514084832.db2.gz UFCQSDMKNOVOPF-WIYYLYMNSA-N 1 3 362.514 2.788 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000420309860 514084839 /nfs/dbraw/zinc/08/48/39/514084839.db2.gz UFCQSDMKNOVOPF-WIYYLYMNSA-N 1 3 362.514 2.788 20 0 FFADHO CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000423229005 514085253 /nfs/dbraw/zinc/08/52/53/514085253.db2.gz GHXKEJLZBCDHPO-SSDMNJCBSA-N 1 3 359.923 2.559 20 0 FFADHO C[C@@H]1C[C@@H](Nc2ccc(N3CCNCC3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000423237976 514088126 /nfs/dbraw/zinc/08/81/26/514088126.db2.gz UNWDCFLLUBGTBI-IEBWSBKVSA-N 1 3 351.498 2.566 20 0 FFADHO C[C@@H]1C[C@@H](Nc2ccc(N3CCNCC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000423237976 514088132 /nfs/dbraw/zinc/08/81/32/514088132.db2.gz UNWDCFLLUBGTBI-IEBWSBKVSA-N 1 3 351.498 2.566 20 0 FFADHO C[C@@H]1C[C@H](Nc2ccc(N3CCNCC3)cn2)C[N@@H+]1Cc1ccccc1 ZINC000423237977 514088975 /nfs/dbraw/zinc/08/89/75/514088975.db2.gz UNWDCFLLUBGTBI-MJGOQNOKSA-N 1 3 351.498 2.566 20 0 FFADHO C[C@@H]1C[C@H](Nc2ccc(N3CCNCC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000423237977 514088984 /nfs/dbraw/zinc/08/89/84/514088984.db2.gz UNWDCFLLUBGTBI-MJGOQNOKSA-N 1 3 351.498 2.566 20 0 FFADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423265019 514096618 /nfs/dbraw/zinc/09/66/18/514096618.db2.gz AORPPZFIRNXZKS-KBMXLJTQSA-N 1 3 373.950 2.806 20 0 FFADHO Cc1ccc(SCCNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420330111 514096809 /nfs/dbraw/zinc/09/68/09/514096809.db2.gz ABYGPXLKKRYMHK-MSOLQXFVSA-N 1 3 361.555 2.525 20 0 FFADHO COc1ccc(Cl)cc1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420328290 514097249 /nfs/dbraw/zinc/09/72/49/514097249.db2.gz ZWUDECLONJRDRC-MRXNPFEDSA-N 1 3 351.922 2.856 20 0 FFADHO CCC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000449160042 514097884 /nfs/dbraw/zinc/09/78/84/514097884.db2.gz KJUKNDHOAXKMEB-CQSZACIVSA-N 1 3 359.436 2.984 20 0 FFADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000449163084 514098402 /nfs/dbraw/zinc/09/84/02/514098402.db2.gz UXFJDOAFTBWXAT-CYBMUJFWSA-N 1 3 357.420 2.736 20 0 FFADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423290238 514100591 /nfs/dbraw/zinc/10/05/91/514100591.db2.gz CNKMTQYEJDRRSH-LSDHHAIUSA-N 1 3 361.511 2.807 20 0 FFADHO O=C1[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000420344196 514103125 /nfs/dbraw/zinc/10/31/25/514103125.db2.gz SQEBCKCHIPNYAS-AHIWAGSCSA-N 1 3 351.853 2.516 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346614 514105043 /nfs/dbraw/zinc/10/50/43/514105043.db2.gz YZKAARNCYKTUIH-XSLAGTTESA-N 1 3 359.514 2.582 20 0 FFADHO CN1CCO[C@H]([C@H](NCC2(C)CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423325229 514108429 /nfs/dbraw/zinc/10/84/29/514108429.db2.gz JFOPHGANIRCDIX-ZWKOTPCHSA-N 1 3 351.922 2.691 20 0 FFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccccc1Br ZINC000420366103 514111848 /nfs/dbraw/zinc/11/18/48/514111848.db2.gz QXODCXZKUSDMDZ-CQSZACIVSA-N 1 3 354.292 2.755 20 0 FFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000420366103 514111857 /nfs/dbraw/zinc/11/18/57/514111857.db2.gz QXODCXZKUSDMDZ-CQSZACIVSA-N 1 3 354.292 2.755 20 0 FFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccc(Br)cc1F ZINC000420372546 514113643 /nfs/dbraw/zinc/11/36/43/514113643.db2.gz YEYMKXPSMXROMD-CQSZACIVSA-N 1 3 372.282 2.895 20 0 FFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000420372546 514113653 /nfs/dbraw/zinc/11/36/53/514113653.db2.gz YEYMKXPSMXROMD-CQSZACIVSA-N 1 3 372.282 2.895 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000417010511 514114458 /nfs/dbraw/zinc/11/44/58/514114458.db2.gz PJDUPXCLEUAMGR-IRXDYDNUSA-N 1 3 352.548 2.962 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000423358029 514116409 /nfs/dbraw/zinc/11/64/09/514116409.db2.gz NAWGGELLFGQDAM-BRWVUGGUSA-N 1 3 359.514 2.668 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccsc1 ZINC000417012942 514118307 /nfs/dbraw/zinc/11/83/07/514118307.db2.gz YCFDAKJVDLTUEX-YQQAZPJKSA-N 1 3 352.548 2.900 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccsc1 ZINC000417014171 514119347 /nfs/dbraw/zinc/11/93/47/514119347.db2.gz ZUHALYQBMDKSNL-USXIJHARSA-N 1 3 352.548 2.757 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000417019357 514123525 /nfs/dbraw/zinc/12/35/25/514123525.db2.gz IOHQSCJJCPTSKE-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO CC(C)(C)c1cccc(OCC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000420389733 514124405 /nfs/dbraw/zinc/12/44/05/514124405.db2.gz YPDBXRLBLRWSQB-GOSISDBHSA-N 1 3 357.502 2.750 20 0 FFADHO CC(C)(C)c1cccc(OCC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000420389733 514124407 /nfs/dbraw/zinc/12/44/07/514124407.db2.gz YPDBXRLBLRWSQB-GOSISDBHSA-N 1 3 357.502 2.750 20 0 FFADHO COc1cc(NC(=O)CCN2CC[C@@H](C)[C@H](C[NH3+])C2)c(OC)cc1Cl ZINC000420397344 514131208 /nfs/dbraw/zinc/13/12/08/514131208.db2.gz FYECZLLTHWVWDA-CHWSQXEVSA-N 1 3 369.893 2.603 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420412576 514138284 /nfs/dbraw/zinc/13/82/84/514138284.db2.gz SILCSLUDCPJZCN-GBAJDQEWSA-N 1 3 354.494 2.675 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420412576 514138293 /nfs/dbraw/zinc/13/82/93/514138293.db2.gz SILCSLUDCPJZCN-GBAJDQEWSA-N 1 3 354.494 2.675 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423435711 514141020 /nfs/dbraw/zinc/14/10/20/514141020.db2.gz RGXRMHZNWRKAQL-LJQANCHMSA-N 1 3 353.551 2.634 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000427180239 514142244 /nfs/dbraw/zinc/14/22/44/514142244.db2.gz VJSVRDFYMCXGKV-UXHICEINSA-N 1 3 365.562 2.600 20 0 FFADHO Cc1ccc2[nH]c(C[NH2+]CC3(N4CCOCC4)CCN(C)CC3)cc2c1C ZINC000414480745 514144613 /nfs/dbraw/zinc/14/46/13/514144613.db2.gz JOMHYYSOEPGEQZ-UHFFFAOYSA-N 1 3 370.541 2.671 20 0 FFADHO CCCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000444188815 514149726 /nfs/dbraw/zinc/14/97/26/514149726.db2.gz LIPRIGCIMCDIPB-URVUXULASA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417089901 514162730 /nfs/dbraw/zinc/16/27/30/514162730.db2.gz SJVOFDOPOJCCCV-QFBILLFUSA-N 1 3 358.530 2.735 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)N(C)C)cc1 ZINC000449330364 514168670 /nfs/dbraw/zinc/16/86/70/514168670.db2.gz TZWZMOCPUZYQOI-IFMALSPDSA-N 1 3 351.494 2.645 20 0 FFADHO COc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414553638 514175356 /nfs/dbraw/zinc/17/53/56/514175356.db2.gz IXHUVRWUIOFOTQ-UHFFFAOYSA-N 1 3 367.493 2.682 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417123326 514179490 /nfs/dbraw/zinc/17/94/90/514179490.db2.gz YRTMWTUYLUMBLH-SFTDATJTSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000427322733 514182745 /nfs/dbraw/zinc/18/27/45/514182745.db2.gz GLCLSXFUIVRMEQ-SFHVURJKSA-N 1 3 359.514 2.557 20 0 FFADHO CC(=O)NCCc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432427304 514191728 /nfs/dbraw/zinc/19/17/28/514191728.db2.gz YDDCAKABCLMTKS-MSOLQXFVSA-N 1 3 361.530 2.517 20 0 FFADHO CC(=O)NCCc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432427304 514191735 /nfs/dbraw/zinc/19/17/35/514191735.db2.gz YDDCAKABCLMTKS-MSOLQXFVSA-N 1 3 361.530 2.517 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437772040 514232219 /nfs/dbraw/zinc/23/22/19/514232219.db2.gz ILAUBGHIQUXPKI-MJGOQNOKSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437772040 514232229 /nfs/dbraw/zinc/23/22/29/514232229.db2.gz ILAUBGHIQUXPKI-MJGOQNOKSA-N 1 3 350.551 2.957 20 0 FFADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCSC1 ZINC000437783013 514235222 /nfs/dbraw/zinc/23/52/22/514235222.db2.gz ZYBCVGZYSFVIOR-PKOBYXMFSA-N 1 3 368.591 2.520 20 0 FFADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCSC1 ZINC000437783013 514235229 /nfs/dbraw/zinc/23/52/29/514235229.db2.gz ZYBCVGZYSFVIOR-PKOBYXMFSA-N 1 3 368.591 2.520 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000414680945 514239172 /nfs/dbraw/zinc/23/91/72/514239172.db2.gz VHEGMIIKXZTXCL-HNNXBMFYSA-N 1 3 369.431 2.867 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000414680945 514239177 /nfs/dbraw/zinc/23/91/77/514239177.db2.gz VHEGMIIKXZTXCL-HNNXBMFYSA-N 1 3 369.431 2.867 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000417219138 514239315 /nfs/dbraw/zinc/23/93/15/514239315.db2.gz IHEPPXYPFYEKHH-QMMLZNLJSA-N 1 3 370.541 2.996 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000417218442 514239356 /nfs/dbraw/zinc/23/93/56/514239356.db2.gz STWYOYQANLUPOL-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414684558 514242703 /nfs/dbraw/zinc/24/27/03/514242703.db2.gz VXWPZGVZPOTJIS-YLJYHZDGSA-N 1 3 359.514 2.810 20 0 FFADHO COc1ccc([C@H]2CCCCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414684558 514242711 /nfs/dbraw/zinc/24/27/11/514242711.db2.gz VXWPZGVZPOTJIS-YLJYHZDGSA-N 1 3 359.514 2.810 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)C1 ZINC000414706620 514249545 /nfs/dbraw/zinc/24/95/45/514249545.db2.gz OUTGYZSNKJLBCT-HUUCEWRRSA-N 1 3 367.896 2.683 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)C1 ZINC000414706620 514249551 /nfs/dbraw/zinc/24/95/51/514249551.db2.gz OUTGYZSNKJLBCT-HUUCEWRRSA-N 1 3 367.896 2.683 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000449550085 514250897 /nfs/dbraw/zinc/25/08/97/514250897.db2.gz CBMSWIGQUPNEHM-SVFBPWRDSA-N 1 3 357.542 2.811 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000449550085 514250902 /nfs/dbraw/zinc/25/09/02/514250902.db2.gz CBMSWIGQUPNEHM-SVFBPWRDSA-N 1 3 357.542 2.811 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714094 514252591 /nfs/dbraw/zinc/25/25/91/514252591.db2.gz WZCXGRSUNSWJGC-GJZGRUSLSA-N 1 3 352.548 2.765 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714094 514252597 /nfs/dbraw/zinc/25/25/97/514252597.db2.gz WZCXGRSUNSWJGC-GJZGRUSLSA-N 1 3 352.548 2.765 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000414757679 514276681 /nfs/dbraw/zinc/27/66/81/514276681.db2.gz BCZLIYDDFUVMBE-OAHLLOKOSA-N 1 3 367.896 2.798 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000414763195 514279561 /nfs/dbraw/zinc/27/95/61/514279561.db2.gz MQXOSIGZZFDNTH-OAHLLOKOSA-N 1 3 367.896 2.798 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)N(C)C)cc1 ZINC000417317163 514291857 /nfs/dbraw/zinc/29/18/57/514291857.db2.gz VXBORGITKJNPOJ-PMACEKPBSA-N 1 3 358.530 2.629 20 0 FFADHO [NH3+]C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC12CCOCC2 ZINC000414791080 514295349 /nfs/dbraw/zinc/29/53/49/514295349.db2.gz QEQVYDSHTMLEOF-MRXNPFEDSA-N 1 3 360.889 2.917 20 0 FFADHO O=C(NCCCNCc1cccnc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417324514 514296678 /nfs/dbraw/zinc/29/66/78/514296678.db2.gz CQEIVVTVYLQUQM-UHFFFAOYSA-N 1 3 373.545 2.515 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NCC[C@H](C)[NH3+] ZINC000414818950 514309418 /nfs/dbraw/zinc/30/94/18/514309418.db2.gz GHJOEKOCXLWLDR-QWRGUYRKSA-N 1 3 355.504 2.586 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417377172 514321632 /nfs/dbraw/zinc/32/16/32/514321632.db2.gz FOUSZXSKWIOHFE-OAHLLOKOSA-N 1 3 352.548 2.777 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427917682 514346823 /nfs/dbraw/zinc/34/68/23/514346823.db2.gz ZITISSSCCWERKS-IZZBFERCSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427917682 514346827 /nfs/dbraw/zinc/34/68/27/514346827.db2.gz ZITISSSCCWERKS-IZZBFERCSA-N 1 3 355.526 2.840 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438334150 514357328 /nfs/dbraw/zinc/35/73/28/514357328.db2.gz YJPRVEISILDTTM-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438334150 514357334 /nfs/dbraw/zinc/35/73/34/514357334.db2.gz YJPRVEISILDTTM-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438334152 514357500 /nfs/dbraw/zinc/35/75/00/514357500.db2.gz YJPRVEISILDTTM-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438334152 514357501 /nfs/dbraw/zinc/35/75/01/514357501.db2.gz YJPRVEISILDTTM-PKOBYXMFSA-N 1 3 350.551 2.767 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000420907792 514368530 /nfs/dbraw/zinc/36/85/30/514368530.db2.gz SXPZMCPCWKHVST-MHJFOBGBSA-N 1 3 358.530 2.996 20 0 FFADHO FC(F)(F)[C@H](CNCc1cc(Cl)cc2cccnc21)N1CC[NH2+]CC1 ZINC000414964825 514379129 /nfs/dbraw/zinc/37/91/29/514379129.db2.gz CKDFSQDLBLXPFD-HNNXBMFYSA-N 1 3 372.822 2.814 20 0 FFADHO C[C@@H](CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC[NH2+]CC1 ZINC000424215048 514418442 /nfs/dbraw/zinc/41/84/42/514418442.db2.gz DQHBZSFIYGGBJH-DZFGPLHGSA-N 1 3 355.526 2.745 20 0 FFADHO CO[C@H]1CCCC[C@@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000433209137 514422404 /nfs/dbraw/zinc/42/24/04/514422404.db2.gz PPXVDIBRCPHROG-SFTDATJTSA-N 1 3 373.541 2.623 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCc3nc4ccccc4n3C)CC2)CC1 ZINC000420986723 514425198 /nfs/dbraw/zinc/42/51/98/514425198.db2.gz YPCDKZNZUOKZCH-UHFFFAOYSA-N 1 3 369.557 2.608 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCc3nc4ccccc4n3C)CC2)CC1 ZINC000420986723 514425206 /nfs/dbraw/zinc/42/52/06/514425206.db2.gz YPCDKZNZUOKZCH-UHFFFAOYSA-N 1 3 369.557 2.608 20 0 FFADHO CC(C)N1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433212586 514425256 /nfs/dbraw/zinc/42/52/56/514425256.db2.gz KDSOACGZXZWRHN-FQEVSTJZSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC000428222071 514426446 /nfs/dbraw/zinc/42/64/46/514426446.db2.gz VMGMEABEWNQLRE-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(c1ccccc1)c1ccccc1 ZINC000415081475 514434152 /nfs/dbraw/zinc/43/41/52/514434152.db2.gz CDLXPZNTCZZULF-MOPGFXCFSA-N 1 3 365.521 2.994 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000415085414 514436461 /nfs/dbraw/zinc/43/64/61/514436461.db2.gz IDPGQEBOBKUXIR-CTNGQTDRSA-N 1 3 351.494 2.757 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000415087837 514436926 /nfs/dbraw/zinc/43/69/26/514436926.db2.gz VFOZLHWVARQNFU-LJQANCHMSA-N 1 3 365.521 2.996 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)CC1 ZINC000421018474 514440221 /nfs/dbraw/zinc/44/02/21/514440221.db2.gz MQYWTEFUFYFQLC-RBUKOAKNSA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)CC1 ZINC000421018474 514440225 /nfs/dbraw/zinc/44/02/25/514440225.db2.gz MQYWTEFUFYFQLC-RBUKOAKNSA-N 1 3 367.578 2.702 20 0 FFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287508 514446923 /nfs/dbraw/zinc/44/69/23/514446923.db2.gz IXIRKHOXFUIVEN-CABCVRRESA-N 1 3 365.468 2.948 20 0 FFADHO CC(C)Oc1ccc(CCNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424299893 514449697 /nfs/dbraw/zinc/44/96/97/514449697.db2.gz WDGDRPKUFXKKNR-GOSISDBHSA-N 1 3 373.541 2.597 20 0 FFADHO CC(C)OCc1ccccc1CNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302528 514451835 /nfs/dbraw/zinc/45/18/35/514451835.db2.gz ZUJMLICHQJXVSU-GOSISDBHSA-N 1 3 373.541 2.692 20 0 FFADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(OCC(F)(F)F)cc3)C2)nn1 ZINC000415121979 514452454 /nfs/dbraw/zinc/45/24/54/514452454.db2.gz HWZMEEGVUDCMRH-HNNXBMFYSA-N 1 3 369.391 2.515 20 0 FFADHO O=C1N[C@H]2CN(Cc3ccc4ccccc4c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140366 514464413 /nfs/dbraw/zinc/46/44/13/514464413.db2.gz NCSOVHMJZALSIP-LEWJYISDSA-N 1 3 364.493 2.560 20 0 FFADHO O=C1N[C@@H]2CN(Cc3csc4ccccc34)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415144955 514468265 /nfs/dbraw/zinc/46/82/65/514468265.db2.gz WDNMBZUWWGJVGM-QZTJIDSGSA-N 1 3 370.522 2.621 20 0 FFADHO CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475011687 514522224 /nfs/dbraw/zinc/52/22/24/514522224.db2.gz ZXTFUDULGRHADX-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)([NH+](C)C)C1 ZINC000458004037 514525995 /nfs/dbraw/zinc/52/59/95/514525995.db2.gz NWASNPONMQKPEU-HOJAQTOUSA-N 1 3 350.551 2.624 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)N(C)C)cc1 ZINC000433600766 514528232 /nfs/dbraw/zinc/52/82/32/514528232.db2.gz UDQWEXYOWWTDDD-VQTJNVASSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)N(C)C)cc1 ZINC000433600766 514528236 /nfs/dbraw/zinc/52/82/36/514528236.db2.gz UDQWEXYOWWTDDD-VQTJNVASSA-N 1 3 358.530 2.914 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000466026701 514542740 /nfs/dbraw/zinc/54/27/40/514542740.db2.gz RBDRPNSFWANKOP-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466026701 514542748 /nfs/dbraw/zinc/54/27/48/514542748.db2.gz RBDRPNSFWANKOP-HKUYNNGSSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C ZINC000466042087 514546223 /nfs/dbraw/zinc/54/62/23/514546223.db2.gz XNEXEPOIXBRBLJ-QYZOEREBSA-N 1 3 350.551 2.767 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]CC1(N3CCCCC3)CCN(C)CC1)CO2 ZINC000453119050 514549821 /nfs/dbraw/zinc/54/98/21/514549821.db2.gz MFPLVGONANKDJK-IBGZPJMESA-N 1 3 373.541 2.539 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)c2sccc21 ZINC000453116116 514550077 /nfs/dbraw/zinc/55/00/77/514550077.db2.gz HYFISMRDYAKANQ-AEFFLSMTSA-N 1 3 351.560 2.666 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000458124803 514576740 /nfs/dbraw/zinc/57/67/40/514576740.db2.gz FUKGAWKYGZXVDL-UHFFFAOYSA-N 1 3 366.575 2.943 20 0 FFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470767189 514599814 /nfs/dbraw/zinc/59/98/14/514599814.db2.gz UHJGVVZKDGATKK-QHCPKHFHSA-N 1 3 369.553 2.701 20 0 FFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470767189 514599826 /nfs/dbraw/zinc/59/98/26/514599826.db2.gz UHJGVVZKDGATKK-QHCPKHFHSA-N 1 3 369.553 2.701 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000461449871 514620664 /nfs/dbraw/zinc/62/06/64/514620664.db2.gz OWTAYOLODINMNV-RTWAWAEBSA-N 1 3 355.526 2.699 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000461449871 514620677 /nfs/dbraw/zinc/62/06/77/514620677.db2.gz OWTAYOLODINMNV-RTWAWAEBSA-N 1 3 355.526 2.699 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000508020315 514640628 /nfs/dbraw/zinc/64/06/28/514640628.db2.gz BLSJUNLCJZCISN-LJQANCHMSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000466446778 514648781 /nfs/dbraw/zinc/64/87/81/514648781.db2.gz SLKAEGCXNHQCFN-UWJYYQICSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000470892424 514660389 /nfs/dbraw/zinc/66/03/89/514660389.db2.gz MGBKZHBPQCKODG-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000470892424 514660400 /nfs/dbraw/zinc/66/04/00/514660400.db2.gz MGBKZHBPQCKODG-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1cccc(Cl)c1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000488997913 514667633 /nfs/dbraw/zinc/66/76/33/514667633.db2.gz VGDVYVJXOUIUFW-UHFFFAOYSA-N 1 3 363.933 2.866 20 0 FFADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCCCC[NH+]1CCCC1 ZINC000508102046 514667778 /nfs/dbraw/zinc/66/77/78/514667778.db2.gz BRDBCYMNVULPSB-UHFFFAOYSA-N 1 3 372.557 2.581 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466513462 514670265 /nfs/dbraw/zinc/67/02/65/514670265.db2.gz IFZJKBQEAICSMO-QUCCMNQESA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000466513462 514670272 /nfs/dbraw/zinc/67/02/72/514670272.db2.gz IFZJKBQEAICSMO-QUCCMNQESA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000484646304 514727874 /nfs/dbraw/zinc/72/78/74/514727874.db2.gz UMXIKSPJKGGVCV-HXUWFJFHSA-N 1 3 372.488 2.860 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000484646304 514727884 /nfs/dbraw/zinc/72/78/84/514727884.db2.gz UMXIKSPJKGGVCV-HXUWFJFHSA-N 1 3 372.488 2.860 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000480050415 514822957 /nfs/dbraw/zinc/82/29/57/514822957.db2.gz VTMLIQKDACCYEL-FCEUIQTBSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480050415 514822965 /nfs/dbraw/zinc/82/29/65/514822965.db2.gz VTMLIQKDACCYEL-FCEUIQTBSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480050415 514822974 /nfs/dbraw/zinc/82/29/74/514822974.db2.gz VTMLIQKDACCYEL-FCEUIQTBSA-N 1 3 359.558 2.843 20 0 FFADHO CN1CCC[C@@H](C[N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000508577706 514826646 /nfs/dbraw/zinc/82/66/46/514826646.db2.gz JGHDWEDDMGAPQY-CYBMUJFWSA-N 1 3 369.303 2.994 20 0 FFADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000508577706 514826659 /nfs/dbraw/zinc/82/66/59/514826659.db2.gz JGHDWEDDMGAPQY-CYBMUJFWSA-N 1 3 369.303 2.994 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000466932777 514833280 /nfs/dbraw/zinc/83/32/80/514833280.db2.gz LZQMTEGCVDVNST-GGPKGHCWSA-N 1 3 362.562 2.767 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000462015168 514833368 /nfs/dbraw/zinc/83/33/68/514833368.db2.gz OXPZPXVODYOTKW-INIZCTEOSA-N 1 3 352.498 2.628 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000462015168 514833377 /nfs/dbraw/zinc/83/33/77/514833377.db2.gz OXPZPXVODYOTKW-INIZCTEOSA-N 1 3 352.498 2.628 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccsc1)C(C)(C)C[NH+](C)C ZINC000458515255 514861736 /nfs/dbraw/zinc/86/17/36/514861736.db2.gz LCXFZTGCHDYHEP-HNNXBMFYSA-N 1 3 354.564 2.798 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000503090024 514915075 /nfs/dbraw/zinc/91/50/75/514915075.db2.gz APGLXIYEGGHUOA-SFHVURJKSA-N 1 3 364.509 2.850 20 0 FFADHO COc1ccc([C@H](CNC(=O)N2CC[N@H+](C)CC[C@H]2C)N2CCCC2)cc1 ZINC000503116585 514924386 /nfs/dbraw/zinc/92/43/86/514924386.db2.gz LFQPWUBGXNAJAY-XLIONFOSSA-N 1 3 374.529 2.568 20 0 FFADHO COc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)N2CCCC2)cc1 ZINC000503116585 514924398 /nfs/dbraw/zinc/92/43/98/514924398.db2.gz LFQPWUBGXNAJAY-XLIONFOSSA-N 1 3 374.529 2.568 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462201837 514937605 /nfs/dbraw/zinc/93/76/05/514937605.db2.gz UPRPELBRVKHXNV-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000489787591 514975808 /nfs/dbraw/zinc/97/58/08/514975808.db2.gz OSMVVTSHEHVEEE-HBMCJLEFSA-N 1 3 372.557 2.995 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467410317 514998357 /nfs/dbraw/zinc/99/83/57/514998357.db2.gz GEMGWBDGVZWXJH-VKJFTORMSA-N 1 3 351.922 2.995 20 0 FFADHO CN(C)C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000480597179 515014551 /nfs/dbraw/zinc/01/45/51/515014551.db2.gz HYLQMAXFXVRDHP-FQEVSTJZSA-N 1 3 372.488 2.989 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000480597180 515014684 /nfs/dbraw/zinc/01/46/84/515014684.db2.gz HYLQMAXFXVRDHP-HXUWFJFHSA-N 1 3 372.488 2.989 20 0 FFADHO NC(=O)c1cccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471858812 515032767 /nfs/dbraw/zinc/03/27/67/515032767.db2.gz UJAYZXWGSHVMKA-LEWJYISDSA-N 1 3 351.494 2.958 20 0 FFADHO CN(c1ccccc1CN1CCC[C@@]2(CC[NH2+]C2)C1)C1CCN(C)CC1 ZINC000489966199 515050759 /nfs/dbraw/zinc/05/07/59/515050759.db2.gz OYDYEZRQKKBMEL-QFIPXVFZSA-N 1 3 356.558 2.793 20 0 FFADHO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000458752261 515065431 /nfs/dbraw/zinc/06/54/31/515065431.db2.gz VSFBGPQRSUDFOC-GOSISDBHSA-N 1 3 360.546 2.927 20 0 FFADHO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000503557823 515080154 /nfs/dbraw/zinc/08/01/54/515080154.db2.gz LWZBPJFSCZPLJP-CTNGQTDRSA-N 1 3 373.541 2.807 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000458835009 515129415 /nfs/dbraw/zinc/12/94/15/515129415.db2.gz AMPLQSAREYALHT-LJQANCHMSA-N 1 3 364.509 2.994 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000490189157 515135120 /nfs/dbraw/zinc/13/51/20/515135120.db2.gz VOTFZOSXBKHRHJ-UEXGIBASSA-N 1 3 372.557 2.662 20 0 FFADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000472138729 515139968 /nfs/dbraw/zinc/13/99/68/515139968.db2.gz QWRYMGUHINOXMH-NRFANRHFSA-N 1 3 359.558 2.661 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCC2(C)CC[NH+](C)CC2)CC1 ZINC000503900974 515162547 /nfs/dbraw/zinc/16/25/47/515162547.db2.gz JDRIZKKLVKMNGA-UHFFFAOYSA-N 1 3 364.965 2.913 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000476739014 515177343 /nfs/dbraw/zinc/17/73/43/515177343.db2.gz MGWDNIJFDCULIL-NUJGCVRESA-N 1 3 350.551 2.621 20 0 FFADHO CN(C)CCN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CCCC1 ZINC000468007125 515195071 /nfs/dbraw/zinc/19/50/71/515195071.db2.gz WALNMLDPARHSNU-UHFFFAOYSA-N 1 3 372.557 2.601 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000476825567 515208711 /nfs/dbraw/zinc/20/87/11/515208711.db2.gz XBCJOURDHNGHBC-CEXWTWQISA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000476825567 515208716 /nfs/dbraw/zinc/20/87/16/515208716.db2.gz XBCJOURDHNGHBC-CEXWTWQISA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000472313336 515220601 /nfs/dbraw/zinc/22/06/01/515220601.db2.gz AKILCWVIEVWGLH-MJGOQNOKSA-N 1 3 355.526 2.683 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458966597 515232165 /nfs/dbraw/zinc/23/21/65/515232165.db2.gz FHVSJBJAGACLHB-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458966597 515232174 /nfs/dbraw/zinc/23/21/74/515232174.db2.gz FHVSJBJAGACLHB-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccco1 ZINC000509577335 515241725 /nfs/dbraw/zinc/24/17/25/515241725.db2.gz LYKZBNXDXXJSNN-AEFFLSMTSA-N 1 3 362.518 2.979 20 0 FFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCC1 ZINC000458982688 515248662 /nfs/dbraw/zinc/24/86/62/515248662.db2.gz VEEAXZJCJVALOV-FQEVSTJZSA-N 1 3 368.525 2.697 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCC1 ZINC000458982688 515248671 /nfs/dbraw/zinc/24/86/71/515248671.db2.gz VEEAXZJCJVALOV-FQEVSTJZSA-N 1 3 368.525 2.697 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462801195 515250946 /nfs/dbraw/zinc/25/09/46/515250946.db2.gz IDRKXYYJEISJNZ-MJGOQNOKSA-N 1 3 363.571 2.698 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472385927 515253642 /nfs/dbraw/zinc/25/36/42/515253642.db2.gz IMWRRWATUDEXMY-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)N1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472385927 515253655 /nfs/dbraw/zinc/25/36/55/515253655.db2.gz IMWRRWATUDEXMY-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000459046290 515284578 /nfs/dbraw/zinc/28/45/78/515284578.db2.gz UOPZOMSKXBUYNG-AWEZNQCLSA-N 1 3 374.451 2.729 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCCN2C2CCCCC2)CC1 ZINC000462897058 515287665 /nfs/dbraw/zinc/28/76/65/515287665.db2.gz RRCYKNAYJDTCRA-FQEVSTJZSA-N 1 3 365.562 2.791 20 0 FFADHO CC[NH+](CC)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000504572963 515331661 /nfs/dbraw/zinc/33/16/61/515331661.db2.gz OMVREEFXQJPXMC-KRWDZBQOSA-N 1 3 353.457 2.602 20 0 FFADHO COc1ncc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000499601117 515384065 /nfs/dbraw/zinc/38/40/65/515384065.db2.gz SQHNKTXFZDUSQX-UHFFFAOYSA-N 1 3 355.486 2.927 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459257527 515427438 /nfs/dbraw/zinc/42/74/38/515427438.db2.gz JHQDSFRRTLDJAW-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459257527 515427447 /nfs/dbraw/zinc/42/74/47/515427447.db2.gz JHQDSFRRTLDJAW-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000510327738 515505923 /nfs/dbraw/zinc/50/59/23/515505923.db2.gz RYNXYUMEHVOZNK-LJQANCHMSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000454465268 515509607 /nfs/dbraw/zinc/50/96/07/515509607.db2.gz WOHNBFSHNTXCET-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000454465268 515509615 /nfs/dbraw/zinc/50/96/15/515509615.db2.gz WOHNBFSHNTXCET-HMXCVIKNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CCC[C@](CNC(=O)N2CCCC23CCN(C)CC3)([NH+](C)C)C1 ZINC000510347162 515511932 /nfs/dbraw/zinc/51/19/32/515511932.db2.gz QRQVEVCQIBREBI-PXNSSMCTSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CNCc3cnc(C4CC4)nc3)cc2)CC1 ZINC000459391367 515519039 /nfs/dbraw/zinc/51/90/39/515519039.db2.gz OXFVJPYACXREOH-UHFFFAOYSA-N 1 3 365.525 2.781 20 0 FFADHO Clc1cccc(N2CCN(CCNC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000459440774 515553440 /nfs/dbraw/zinc/55/34/40/515553440.db2.gz XNRVLDQGVSNQJF-UHFFFAOYSA-N 1 3 362.949 2.678 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000473302525 515570255 /nfs/dbraw/zinc/57/02/55/515570255.db2.gz NIQOTBFIFDVJHK-NRFANRHFSA-N 1 3 374.573 2.607 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000482095273 515573853 /nfs/dbraw/zinc/57/38/53/515573853.db2.gz NZPVADCKTYZPLK-OAHLLOKOSA-N 1 3 353.898 2.615 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000482095273 515573862 /nfs/dbraw/zinc/57/38/62/515573862.db2.gz NZPVADCKTYZPLK-OAHLLOKOSA-N 1 3 353.898 2.615 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000454576109 515585703 /nfs/dbraw/zinc/58/57/03/515585703.db2.gz IMWCGYGDGBZCDY-CTNGQTDRSA-N 1 3 372.557 2.882 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000454576109 515585713 /nfs/dbraw/zinc/58/57/13/515585713.db2.gz IMWCGYGDGBZCDY-CTNGQTDRSA-N 1 3 372.557 2.882 20 0 FFADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000500134886 515603466 /nfs/dbraw/zinc/60/34/66/515603466.db2.gz TVAKBIBEXRQUGR-AQNXPRMDSA-N 1 3 351.579 2.928 20 0 FFADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000500134886 515603475 /nfs/dbraw/zinc/60/34/75/515603475.db2.gz TVAKBIBEXRQUGR-AQNXPRMDSA-N 1 3 351.579 2.928 20 0 FFADHO Cc1nc2scc(C3CC3)n2c1CN(C)CCCN(C)CC[NH+](C)C ZINC000459572203 515658017 /nfs/dbraw/zinc/65/80/17/515658017.db2.gz TXTSARMHTMVKCT-UHFFFAOYSA-N 1 3 363.575 2.897 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000505760518 515660299 /nfs/dbraw/zinc/66/02/99/515660299.db2.gz TVDXKKFUEGSABS-HSALFYBXSA-N 1 3 361.505 2.804 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000505760518 515660305 /nfs/dbraw/zinc/66/03/05/515660305.db2.gz TVDXKKFUEGSABS-HSALFYBXSA-N 1 3 361.505 2.804 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000473558904 515663656 /nfs/dbraw/zinc/66/36/56/515663656.db2.gz BSXHBKNWQYQKAQ-QIYLELGZSA-N 1 3 355.526 2.838 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1[C@H](C)CC[C@@H]1C ZINC000473558904 515663665 /nfs/dbraw/zinc/66/36/65/515663665.db2.gz BSXHBKNWQYQKAQ-QIYLELGZSA-N 1 3 355.526 2.838 20 0 FFADHO COc1cc(F)c([C@H](C)NCCC[N@@H+]2CCCN(C)CC2)cc1OC ZINC000482545537 515717171 /nfs/dbraw/zinc/71/71/71/515717171.db2.gz ZESQSSGEGOAQKZ-HNNXBMFYSA-N 1 3 353.482 2.521 20 0 FFADHO COc1cc(F)c([C@H](C)NCCC[N@H+]2CCCN(C)CC2)cc1OC ZINC000482545537 515717176 /nfs/dbraw/zinc/71/71/76/515717176.db2.gz ZESQSSGEGOAQKZ-HNNXBMFYSA-N 1 3 353.482 2.521 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(OC(F)F)c1 ZINC000482565605 515720585 /nfs/dbraw/zinc/72/05/85/515720585.db2.gz YLJCKWFAWZLNGG-UKRRQHHQSA-N 1 3 355.429 2.526 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000482720800 515781686 /nfs/dbraw/zinc/78/16/86/515781686.db2.gz GLOXSVCUZOBRIX-HKUYNNGSSA-N 1 3 364.534 2.573 20 0 FFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000469422569 515811514 /nfs/dbraw/zinc/81/15/14/515811514.db2.gz QKPLMXHWPNMJNQ-ICSRJNTNSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000469422569 515811518 /nfs/dbraw/zinc/81/15/18/515811518.db2.gz QKPLMXHWPNMJNQ-ICSRJNTNSA-N 1 3 358.530 2.679 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCN(C)C[C@H]3C)CC2)cs1 ZINC000482871390 515831235 /nfs/dbraw/zinc/83/12/35/515831235.db2.gz REVRPZPFFHMXSM-QAPCUYQASA-N 1 3 350.576 2.847 20 0 FFADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000482872358 515831349 /nfs/dbraw/zinc/83/13/49/515831349.db2.gz CANVYIGYBXMJMT-CQSZACIVSA-N 1 3 369.456 2.881 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511215736 515831786 /nfs/dbraw/zinc/83/17/86/515831786.db2.gz JEARJEOBZGIUFW-NLWGTHIKSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511215736 515831797 /nfs/dbraw/zinc/83/17/97/515831797.db2.gz JEARJEOBZGIUFW-NLWGTHIKSA-N 1 3 362.562 2.909 20 0 FFADHO CN(CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1)Cc1ccccc1 ZINC000506355108 515856803 /nfs/dbraw/zinc/85/68/03/515856803.db2.gz HTTIUYPNARRCRI-UHFFFAOYSA-N 1 3 370.497 2.881 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000487530016 515892819 /nfs/dbraw/zinc/89/28/19/515892819.db2.gz ANMIMBLJYPURTI-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000487530016 515892830 /nfs/dbraw/zinc/89/28/30/515892830.db2.gz ANMIMBLJYPURTI-QUCCMNQESA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCC(C)(C)C1 ZINC000474252248 515956060 /nfs/dbraw/zinc/95/60/60/515956060.db2.gz QFVMOGNGRXPNDE-GOSISDBHSA-N 1 3 350.551 2.765 20 0 FFADHO CC1CCC(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000501070732 515965311 /nfs/dbraw/zinc/96/53/11/515965311.db2.gz UJCPLFGYXVQYIA-UHFFFAOYSA-N 1 3 358.530 2.925 20 0 FFADHO CCCCOc1ccccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469864342 516003816 /nfs/dbraw/zinc/00/38/16/516003816.db2.gz RRRVQQRZTMRKQT-QUCCMNQESA-N 1 3 373.541 2.946 20 0 FFADHO CC(C)[C@H](CNC(=O)NCCN1CCCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000501178454 516006644 /nfs/dbraw/zinc/00/66/44/516006644.db2.gz ZTDCVOQTKMUUCP-OALUTQOASA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000469907224 516026091 /nfs/dbraw/zinc/02/60/91/516026091.db2.gz MPISYTUYUWMPJT-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000460172698 516054052 /nfs/dbraw/zinc/05/40/52/516054052.db2.gz LUPZCWUYYKALNP-SFHVURJKSA-N 1 3 360.546 2.854 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000460172698 516054056 /nfs/dbraw/zinc/05/40/56/516054056.db2.gz LUPZCWUYYKALNP-SFHVURJKSA-N 1 3 360.546 2.854 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000469999588 516071625 /nfs/dbraw/zinc/07/16/25/516071625.db2.gz MMOWPTNCADKXBA-OAHLLOKOSA-N 1 3 361.486 2.841 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCN1CCCC1 ZINC000474512555 516076637 /nfs/dbraw/zinc/07/66/37/516076637.db2.gz NGNLQPRFPNVUPS-KXTWHKPSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCN1CCCC1 ZINC000474512555 516076648 /nfs/dbraw/zinc/07/66/48/516076648.db2.gz NGNLQPRFPNVUPS-KXTWHKPSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN(C)CC[C@H]1C ZINC000474515939 516077430 /nfs/dbraw/zinc/07/74/30/516077430.db2.gz OOMQSGXJBNUFRK-HDAAZOAOSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN(C)CC[C@H]1C ZINC000474515939 516077436 /nfs/dbraw/zinc/07/74/36/516077436.db2.gz OOMQSGXJBNUFRK-HDAAZOAOSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000488043643 516093703 /nfs/dbraw/zinc/09/37/03/516093703.db2.gz NWXAKULEXYTFMJ-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000488043643 516093715 /nfs/dbraw/zinc/09/37/15/516093715.db2.gz NWXAKULEXYTFMJ-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000501410730 516095822 /nfs/dbraw/zinc/09/58/22/516095822.db2.gz ZSBJURZVKVFSKL-NJDAHSKKSA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000501410730 516095830 /nfs/dbraw/zinc/09/58/30/516095830.db2.gz ZSBJURZVKVFSKL-NJDAHSKKSA-N 1 3 370.541 2.749 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000479190549 516099547 /nfs/dbraw/zinc/09/95/47/516099547.db2.gz SFJNAYHHKAGHPQ-FUHIMQAGSA-N 1 3 361.505 2.981 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000479190549 516099555 /nfs/dbraw/zinc/09/95/55/516099555.db2.gz SFJNAYHHKAGHPQ-FUHIMQAGSA-N 1 3 361.505 2.981 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457727593 516103076 /nfs/dbraw/zinc/10/30/76/516103076.db2.gz GBDWIWCIPFXKLK-UYAOXDASSA-N 1 3 350.551 2.768 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457727593 516103086 /nfs/dbraw/zinc/10/30/86/516103086.db2.gz GBDWIWCIPFXKLK-UYAOXDASSA-N 1 3 350.551 2.768 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479206738 516108308 /nfs/dbraw/zinc/10/83/08/516108308.db2.gz ICLHAXWVDFNUOV-GHTZIAJQSA-N 1 3 369.484 2.849 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479206738 516108322 /nfs/dbraw/zinc/10/83/22/516108322.db2.gz ICLHAXWVDFNUOV-GHTZIAJQSA-N 1 3 369.484 2.849 20 0 FFADHO C[C@H](CCNC(=O)[C@H](CN)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000479222275 516114347 /nfs/dbraw/zinc/11/43/47/516114347.db2.gz KAVLGCOIMZSINH-OXQOHEQNSA-N 1 3 357.473 2.895 20 0 FFADHO C[C@H](CCNC(=O)[C@H](CN)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000479222275 516114356 /nfs/dbraw/zinc/11/43/56/516114356.db2.gz KAVLGCOIMZSINH-OXQOHEQNSA-N 1 3 357.473 2.895 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000483518631 516118877 /nfs/dbraw/zinc/11/88/77/516118877.db2.gz NBSFQVUQHHZHCK-OAQYLSRUSA-N 1 3 372.557 2.866 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488172502 516143906 /nfs/dbraw/zinc/14/39/06/516143906.db2.gz BJTCFTHUCNKKCI-ZVDOUQERSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488172502 516143910 /nfs/dbraw/zinc/14/39/10/516143910.db2.gz BJTCFTHUCNKKCI-ZVDOUQERSA-N 1 3 372.557 2.880 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479351122 516160128 /nfs/dbraw/zinc/16/01/28/516160128.db2.gz OKRFZFIZXIRSBO-RXVVDRJESA-N 1 3 367.541 2.865 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000457808069 516163715 /nfs/dbraw/zinc/16/37/15/516163715.db2.gz WTMQJKJIVLPTIN-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000457808069 516163726 /nfs/dbraw/zinc/16/37/26/516163726.db2.gz WTMQJKJIVLPTIN-UNMCSNQZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000479377664 516169924 /nfs/dbraw/zinc/16/99/24/516169924.db2.gz PFICGYSYBSLTTJ-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000479377664 516169934 /nfs/dbraw/zinc/16/99/34/516169934.db2.gz PFICGYSYBSLTTJ-KSZLIROESA-N 1 3 360.546 2.914 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000470276769 516192037 /nfs/dbraw/zinc/19/20/37/516192037.db2.gz HTNKZUXERRXAFC-UYAOXDASSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)CC[C@H]1C ZINC000470276769 516192046 /nfs/dbraw/zinc/19/20/46/516192046.db2.gz HTNKZUXERRXAFC-UYAOXDASSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@H](NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1=CCN(C)CC1 ZINC000488472016 516233290 /nfs/dbraw/zinc/23/32/90/516233290.db2.gz UNKMJBJXEPCLGK-PGRDOPGGSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@H](NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1=CCN(C)CC1 ZINC000488472016 516233298 /nfs/dbraw/zinc/23/32/98/516233298.db2.gz UNKMJBJXEPCLGK-PGRDOPGGSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457937508 516240891 /nfs/dbraw/zinc/24/08/91/516240891.db2.gz SULPFXLDQOOPHE-MJGOQNOKSA-N 1 3 358.530 2.996 20 0 FFADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000484165071 516307803 /nfs/dbraw/zinc/30/78/03/516307803.db2.gz DPCGZPSCNBPECM-FUHWJXTLSA-N 1 3 350.478 2.907 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000502148779 516310885 /nfs/dbraw/zinc/31/08/85/516310885.db2.gz NWHYBVAJUAVSIL-ZFMNYDKASA-N 1 3 370.541 2.775 20 0 FFADHO C[N@@H+]1CC[C@H]2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@H]2C1 ZINC000497388545 516318281 /nfs/dbraw/zinc/31/82/81/516318281.db2.gz JVMAKDISJRGHQB-ICSRJNTNSA-N 1 3 370.541 2.559 20 0 FFADHO C[N@H+]1CC[C@H]2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)[C@H]2C1 ZINC000497388545 516318284 /nfs/dbraw/zinc/31/82/84/516318284.db2.gz JVMAKDISJRGHQB-ICSRJNTNSA-N 1 3 370.541 2.559 20 0 FFADHO CN(CCC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cc[nH+]cc1 ZINC000543715501 516384909 /nfs/dbraw/zinc/38/49/09/516384909.db2.gz QHKQKRXWHRPREO-HXUWFJFHSA-N 1 3 352.482 2.861 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000517627751 516389345 /nfs/dbraw/zinc/38/93/45/516389345.db2.gz WSTCYEGNVVUSMP-YLJYHZDGSA-N 1 3 360.546 2.531 20 0 FFADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000561145585 516406060 /nfs/dbraw/zinc/40/60/60/516406060.db2.gz WHEAKUZKRPXFIY-SJLPKXTDSA-N 1 3 358.530 2.511 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000517737918 516431963 /nfs/dbraw/zinc/43/19/63/516431963.db2.gz OHWJSVBMLHAWSY-KURKYZTESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531429620 516461449 /nfs/dbraw/zinc/46/14/49/516461449.db2.gz JGNKNPCULFKYHZ-KXBFYZLASA-N 1 3 364.509 2.584 20 0 FFADHO CN(c1ccccc1CNCCC(=O)NC(C)(C)C)C1CC[NH+](C)CC1 ZINC000531594587 516545199 /nfs/dbraw/zinc/54/51/99/516545199.db2.gz UNCFDDZTTXRCAN-UHFFFAOYSA-N 1 3 360.546 2.611 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(-c2ccccc2)c1 ZINC000551149814 516580553 /nfs/dbraw/zinc/58/05/53/516580553.db2.gz ZMILYTMVSVXZAO-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(-c2ccccc2)c1 ZINC000551149814 516580562 /nfs/dbraw/zinc/58/05/62/516580562.db2.gz ZMILYTMVSVXZAO-NRFANRHFSA-N 1 3 355.530 2.720 20 0 FFADHO C[N@H+](CCNC(=O)NCCCN1CCc2ccccc2C1)C1CCCCC1 ZINC000523813376 516586622 /nfs/dbraw/zinc/58/66/22/516586622.db2.gz QTXAZNDZFXUJRS-UHFFFAOYSA-N 1 3 372.557 2.999 20 0 FFADHO C[N@@H+](CCNC(=O)NCCCN1CCc2ccccc2C1)C1CCCCC1 ZINC000523813376 516586627 /nfs/dbraw/zinc/58/66/27/516586627.db2.gz QTXAZNDZFXUJRS-UHFFFAOYSA-N 1 3 372.557 2.999 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)[C@H]1c1ccccc1 ZINC000528709657 516635936 /nfs/dbraw/zinc/63/59/36/516635936.db2.gz FGAAHNROCBYDKJ-AZUAARDMSA-N 1 3 366.465 2.736 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)cc1 ZINC000528710635 516635967 /nfs/dbraw/zinc/63/59/67/516635967.db2.gz KRXGRUIUSZUDFK-UHFFFAOYSA-N 1 3 368.481 2.594 20 0 FFADHO CC(C)[C@@H](CNC(=O)N1CCCN(C(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000524112226 516645264 /nfs/dbraw/zinc/64/52/64/516645264.db2.gz UDRWKSPBDGOTLP-LJQANCHMSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC000558382940 516712857 /nfs/dbraw/zinc/71/28/57/516712857.db2.gz VSHWQLWCYZAEOR-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524446590 516720516 /nfs/dbraw/zinc/72/05/16/516720516.db2.gz PYURRBZYLONXLL-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000524446590 516720527 /nfs/dbraw/zinc/72/05/27/516720527.db2.gz PYURRBZYLONXLL-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(-c2ccccc2)nc1 ZINC000558419230 516731912 /nfs/dbraw/zinc/73/19/12/516731912.db2.gz LHZGBSKEBQLAQW-OAQYLSRUSA-N 1 3 367.541 2.992 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(-c2ccccc2)nc1 ZINC000558419230 516731917 /nfs/dbraw/zinc/73/19/17/516731917.db2.gz LHZGBSKEBQLAQW-OAQYLSRUSA-N 1 3 367.541 2.992 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000518941701 516826762 /nfs/dbraw/zinc/82/67/62/516826762.db2.gz XLOUMFLRSIKXMY-VAMGGRTRSA-N 1 3 370.541 2.728 20 0 FFADHO C[C@H](CSc1ccc(F)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000532283200 516890727 /nfs/dbraw/zinc/89/07/27/516890727.db2.gz DGBCWDBWZXSFMG-OAHLLOKOSA-N 1 3 355.523 2.506 20 0 FFADHO C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000519303513 516953079 /nfs/dbraw/zinc/95/30/79/516953079.db2.gz QMJMNXCHVPTEHG-NSHGMRRFSA-N 1 3 352.567 2.917 20 0 FFADHO Cc1cccc(C)c1OC[C@@H](O)CNCc1ccc(CC[NH+](C)C)cc1 ZINC000514597596 516955017 /nfs/dbraw/zinc/95/50/17/516955017.db2.gz TYFABVPAJYAXRL-NRFANRHFSA-N 1 3 356.510 2.937 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1(C)C ZINC000514671351 516995497 /nfs/dbraw/zinc/99/54/97/516995497.db2.gz GDBQLYRVKWSFBW-GHTZIAJQSA-N 1 3 365.562 2.634 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483923 517011410 /nfs/dbraw/zinc/01/14/10/517011410.db2.gz BCZLEXMCONWAOS-IEBWSBKVSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483923 517011418 /nfs/dbraw/zinc/01/14/18/517011418.db2.gz BCZLEXMCONWAOS-IEBWSBKVSA-N 1 3 352.482 2.910 20 0 FFADHO C[C@@H](NCCC(=O)Nc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483923 517011425 /nfs/dbraw/zinc/01/14/25/517011425.db2.gz BCZLEXMCONWAOS-IEBWSBKVSA-N 1 3 352.482 2.910 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N2CCCC2)cc1 ZINC000529297406 517060030 /nfs/dbraw/zinc/06/00/30/517060030.db2.gz DXTZTYJXTPCRPS-OALUTQOASA-N 1 3 356.514 2.716 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000545152489 517073198 /nfs/dbraw/zinc/07/31/98/517073198.db2.gz GVRIRRCSIPXCCV-FQEVSTJZSA-N 1 3 356.514 2.775 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529364059 517104100 /nfs/dbraw/zinc/10/41/00/517104100.db2.gz XLRYDZBEHVLJKA-PMACEKPBSA-N 1 3 370.541 2.825 20 0 FFADHO CN1CCC[N@H+](CCCN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541544772 517107383 /nfs/dbraw/zinc/10/73/83/517107383.db2.gz BIMGAUWTUUFSEJ-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO CN1CCC[N@@H+](CCCN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541544772 517107389 /nfs/dbraw/zinc/10/73/89/517107389.db2.gz BIMGAUWTUUFSEJ-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO C[N@@H+]1CCCN(CCCN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541544772 517107398 /nfs/dbraw/zinc/10/73/98/517107398.db2.gz BIMGAUWTUUFSEJ-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO C[N@H+]1CCCN(CCCN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541544772 517107405 /nfs/dbraw/zinc/10/74/05/517107405.db2.gz BIMGAUWTUUFSEJ-OAQYLSRUSA-N 1 3 356.489 2.927 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000555839327 517148423 /nfs/dbraw/zinc/14/84/23/517148423.db2.gz IXFMNFVOUZBMQH-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000555839327 517148427 /nfs/dbraw/zinc/14/84/27/517148427.db2.gz IXFMNFVOUZBMQH-OALUTQOASA-N 1 3 362.493 2.526 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)[C@@H](c2ccccc2)C1 ZINC000552223378 517149037 /nfs/dbraw/zinc/14/90/37/517149037.db2.gz SMGIQJIXVHEGML-WBADGQHESA-N 1 3 370.585 2.828 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)C2)cc(OC)c1 ZINC000552248406 517160956 /nfs/dbraw/zinc/16/09/56/517160956.db2.gz GFNCWXYRRUEDSM-MVWVFHAYSA-N 1 3 373.541 2.741 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)C2)cc(OC)c1 ZINC000552248406 517160966 /nfs/dbraw/zinc/16/09/66/517160966.db2.gz GFNCWXYRRUEDSM-MVWVFHAYSA-N 1 3 373.541 2.741 20 0 FFADHO CCC[C@@H]1SCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000519768142 517172787 /nfs/dbraw/zinc/17/27/87/517172787.db2.gz HIWUTOUVIMRBMY-SFHVURJKSA-N 1 3 353.576 2.884 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)c1ccccc1 ZINC000525814361 517178679 /nfs/dbraw/zinc/17/86/79/517178679.db2.gz FMWHQGMTXFJUHP-IBGZPJMESA-N 1 3 362.562 2.878 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000548777890 517208918 /nfs/dbraw/zinc/20/89/18/517208918.db2.gz WMICYDWSFCLBCE-LJQANCHMSA-N 1 3 367.578 2.846 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000548777890 517208926 /nfs/dbraw/zinc/20/89/26/517208926.db2.gz WMICYDWSFCLBCE-LJQANCHMSA-N 1 3 367.578 2.846 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000548777889 517209011 /nfs/dbraw/zinc/20/90/11/517209011.db2.gz WMICYDWSFCLBCE-IBGZPJMESA-N 1 3 367.578 2.846 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000548777889 517209023 /nfs/dbraw/zinc/20/90/23/517209023.db2.gz WMICYDWSFCLBCE-IBGZPJMESA-N 1 3 367.578 2.846 20 0 FFADHO C[C@H](NC(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000515144858 517228690 /nfs/dbraw/zinc/22/86/90/517228690.db2.gz OHIGDNVUYYRZPM-HKUYNNGSSA-N 1 3 373.545 2.718 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000515223116 517260471 /nfs/dbraw/zinc/26/04/71/517260471.db2.gz GDHFPYQXUVGYIH-WOJBJXKFSA-N 1 3 358.530 2.983 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000515223115 517261147 /nfs/dbraw/zinc/26/11/47/517261147.db2.gz GDHFPYQXUVGYIH-VQTJNVASSA-N 1 3 358.530 2.983 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000515483312 517372302 /nfs/dbraw/zinc/37/23/02/517372302.db2.gz KPWKFHMEYMKHBD-BSDSXHPESA-N 1 3 351.560 2.863 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000562764106 517376471 /nfs/dbraw/zinc/37/64/71/517376471.db2.gz BWBWEFDLWDDLOQ-CQSZACIVSA-N 1 3 366.893 2.768 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537945389 517414046 /nfs/dbraw/zinc/41/40/46/517414046.db2.gz LKJZRQCLNROFTL-FJZAXULXSA-N 1 3 353.869 2.903 20 0 FFADHO C[NH+](C)CC[C@H](N[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)C(C)(C)C ZINC000559767248 517418373 /nfs/dbraw/zinc/41/83/73/517418373.db2.gz QAQMFMNSBIOELJ-MSOLQXFVSA-N 1 3 367.559 2.667 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000562809090 517423983 /nfs/dbraw/zinc/42/39/83/517423983.db2.gz XIWBMMNDDVYJPZ-NJDAHSKKSA-N 1 3 366.509 2.993 20 0 FFADHO OC[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)O1 ZINC000559870356 517465527 /nfs/dbraw/zinc/46/55/27/517465527.db2.gz GZNCREXFRPYZMT-MLBCHFTJSA-N 1 3 358.526 2.807 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCCCCC[NH+]1CCCC1 ZINC000559890692 517474197 /nfs/dbraw/zinc/47/41/97/517474197.db2.gz HJZPMOWWCHEZNY-KRWDZBQOSA-N 1 3 367.559 2.868 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000520791744 517513793 /nfs/dbraw/zinc/51/37/93/517513793.db2.gz ALCNFVZZXICFDH-LEWJYISDSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000520829080 517526949 /nfs/dbraw/zinc/52/69/49/517526949.db2.gz STVNNEBOOLVXKV-KRWDZBQOSA-N 1 3 362.518 2.869 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000520894347 517543526 /nfs/dbraw/zinc/54/35/26/517543526.db2.gz TUFDTCWKQRDRJA-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1cc(Cl)ccc1Cl ZINC000562984727 517557356 /nfs/dbraw/zinc/55/73/56/517557356.db2.gz IHVNYXBXNJJHCB-HNNXBMFYSA-N 1 3 359.297 2.950 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520953340 517559825 /nfs/dbraw/zinc/55/98/25/517559825.db2.gz ZKQWJPDGQUTXHJ-MJGOQNOKSA-N 1 3 361.505 2.886 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520953340 517559837 /nfs/dbraw/zinc/55/98/37/517559837.db2.gz ZKQWJPDGQUTXHJ-MJGOQNOKSA-N 1 3 361.505 2.886 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553188807 517566937 /nfs/dbraw/zinc/56/69/37/517566937.db2.gz NBRWOBNAQQIDGC-IBGZPJMESA-N 1 3 355.482 2.692 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553188807 517566942 /nfs/dbraw/zinc/56/69/42/517566942.db2.gz NBRWOBNAQQIDGC-IBGZPJMESA-N 1 3 355.482 2.692 20 0 FFADHO c1ncn(-c2cccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2)n1 ZINC000521025750 517582652 /nfs/dbraw/zinc/58/26/52/517582652.db2.gz LGQFHFVYFINQGV-PZJWPPBQSA-N 1 3 361.449 2.613 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1Cl ZINC000563082652 517644548 /nfs/dbraw/zinc/64/45/48/517644548.db2.gz LZHVOPGPVQQIFV-UHFFFAOYSA-N 1 3 369.893 2.505 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247924 517654852 /nfs/dbraw/zinc/65/48/52/517654852.db2.gz DGZVZTXDKHPJLY-OAQYLSRUSA-N 1 3 354.498 2.771 20 0 FFADHO COc1ccc(C[C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)c1OC ZINC000556858832 517713856 /nfs/dbraw/zinc/71/38/56/517713856.db2.gz JYICUIIZRQCPPA-QGZVFWFLSA-N 1 3 363.546 2.560 20 0 FFADHO CN1CC[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000556868754 517718156 /nfs/dbraw/zinc/71/81/56/517718156.db2.gz BVZWDXYZONDASF-FSSWDIPSSA-N 1 3 369.553 2.930 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N(CC(F)F)CC3CCC3)CC2)CC1 ZINC000534183227 517777006 /nfs/dbraw/zinc/77/70/06/517777006.db2.gz YOGKQNRFQNHDTB-UHFFFAOYSA-N 1 3 372.504 2.622 20 0 FFADHO CN(c1ccccc1CN1CCSC[C@@H]1CCO)C1CC[NH+](C)CC1 ZINC000538813164 517790076 /nfs/dbraw/zinc/79/00/76/517790076.db2.gz FKSHVPWWYMCIBA-IBGZPJMESA-N 1 3 363.571 2.517 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000557039983 517817912 /nfs/dbraw/zinc/81/79/12/517817912.db2.gz JAGXKDJJBPVJRA-OAHLLOKOSA-N 1 3 373.526 2.555 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000563375908 517861643 /nfs/dbraw/zinc/86/16/43/517861643.db2.gz FZAPKHBTZITTKO-LJQANCHMSA-N 1 3 373.541 2.514 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000563375908 517861652 /nfs/dbraw/zinc/86/16/52/517861652.db2.gz FZAPKHBTZITTKO-LJQANCHMSA-N 1 3 373.541 2.514 20 0 FFADHO Cc1cc([C@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CC2)ccc1F ZINC000539200536 517947314 /nfs/dbraw/zinc/94/73/14/517947314.db2.gz OJKSXTQZLPJREY-OAQYLSRUSA-N 1 3 363.521 2.565 20 0 FFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527859610 517958567 /nfs/dbraw/zinc/95/85/67/517958567.db2.gz QLKSBDHUXFVZBN-SUMWQHHRSA-N 1 3 353.869 2.643 20 0 FFADHO CCS(=O)(=O)C[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000539298470 517983289 /nfs/dbraw/zinc/98/32/89/517983289.db2.gz RHPNYOSNQSIBMG-SCTDSRPQSA-N 1 3 352.544 2.700 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000563561070 517985812 /nfs/dbraw/zinc/98/58/12/517985812.db2.gz NXDBXXLSZMEQBX-RDJZCZTQSA-N 1 3 364.559 2.729 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000563561383 517986104 /nfs/dbraw/zinc/98/61/04/517986104.db2.gz HSORTRRHNHGAPF-ZCNNSNEGSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000563588110 518002254 /nfs/dbraw/zinc/00/22/54/518002254.db2.gz LHYJFKCXNBVTSH-LMNJBCLMSA-N 1 3 358.530 2.728 20 0 FFADHO COc1ccc([C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000557450369 518012686 /nfs/dbraw/zinc/01/26/86/518012686.db2.gz NDYVLUZZNGPOOJ-OAQYLSRUSA-N 1 3 359.514 2.725 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCC(C)CC1 ZINC000522180332 518020308 /nfs/dbraw/zinc/02/03/08/518020308.db2.gz GSMQUQIKYIJFCU-ICSRJNTNSA-N 1 3 358.530 2.530 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1 ZINC000554016530 518027560 /nfs/dbraw/zinc/02/75/60/518027560.db2.gz IPXXCPAOGVSAEY-FQEVSTJZSA-N 1 3 359.514 2.573 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000530880846 518028429 /nfs/dbraw/zinc/02/84/29/518028429.db2.gz MMTHZUOTLSQEAJ-UHFFFAOYSA-N 1 3 364.877 2.560 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000557494062 518035989 /nfs/dbraw/zinc/03/59/89/518035989.db2.gz IJFPNBUVGHXKIN-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000557514231 518047814 /nfs/dbraw/zinc/04/78/14/518047814.db2.gz GXEKGILGSAAYAO-LJQANCHMSA-N 1 3 361.555 2.582 20 0 FFADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000563700350 518078245 /nfs/dbraw/zinc/07/82/45/518078245.db2.gz IHYWMCITHJYHHT-ZNLUXHQJSA-N 1 3 368.477 2.580 20 0 FFADHO c1sc(-c2ccccn2)nc1CNC1CCC([NH+]2CCNCC2)CC1 ZINC000560966945 518099820 /nfs/dbraw/zinc/09/98/20/518099820.db2.gz SEYNVPUUCOGVDB-UHFFFAOYSA-N 1 3 357.527 2.511 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000547367578 518106112 /nfs/dbraw/zinc/10/61/12/518106112.db2.gz UEZAYQHUMKNRDN-MRXNPFEDSA-N 1 3 365.477 2.913 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000522429365 518106391 /nfs/dbraw/zinc/10/63/91/518106391.db2.gz UFOOSYZBEVVLKO-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000522429365 518106400 /nfs/dbraw/zinc/10/64/00/518106400.db2.gz UFOOSYZBEVVLKO-GGPKGHCWSA-N 1 3 358.530 2.853 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000528149746 518119749 /nfs/dbraw/zinc/11/97/49/518119749.db2.gz NQBFJZAKSQJHDK-LJQANCHMSA-N 1 3 350.551 2.957 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000535042882 518134497 /nfs/dbraw/zinc/13/44/97/518134497.db2.gz MBSLXDTWWWXBBV-OAQYLSRUSA-N 1 3 372.557 2.874 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535164926 518161291 /nfs/dbraw/zinc/16/12/91/518161291.db2.gz CVLKPDFXPDWZDH-LMMKCTJWSA-N 1 3 350.551 2.623 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528290627 518166569 /nfs/dbraw/zinc/16/65/69/518166569.db2.gz YKVOBHPMRVLULQ-FFZOFVMBSA-N 1 3 360.546 2.662 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528290627 518166572 /nfs/dbraw/zinc/16/65/72/518166572.db2.gz YKVOBHPMRVLULQ-FFZOFVMBSA-N 1 3 360.546 2.662 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000575372929 518206163 /nfs/dbraw/zinc/20/61/63/518206163.db2.gz HGVJJJLESYLCTK-OYSPMZIOSA-N 1 3 351.922 2.819 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccco1 ZINC000563868508 518209064 /nfs/dbraw/zinc/20/90/64/518209064.db2.gz PPEMOBOPHGCZRD-DOTOQJQBSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000572499481 518221147 /nfs/dbraw/zinc/22/11/47/518221147.db2.gz ASFZKYRJRJCYII-BHIYHBOVSA-N 1 3 358.530 2.584 20 0 FFADHO c1cc(N2CCN(CCC[NH2+]C3CCC4(CCCO4)CC3)CC2)ccn1 ZINC000575637115 518242980 /nfs/dbraw/zinc/24/29/80/518242980.db2.gz PAYNGPOILJGPEH-UHFFFAOYSA-N 1 3 358.530 2.675 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(O)c(OC)c3)CC2)CC1 ZINC000584241122 518243526 /nfs/dbraw/zinc/24/35/26/518243526.db2.gz CKBWAHVSUPMFCH-UHFFFAOYSA-N 1 3 361.486 2.536 20 0 FFADHO Cc1cc2sc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nc2cc1F ZINC000581407257 518268937 /nfs/dbraw/zinc/26/89/37/518268937.db2.gz FFFQNUASROEISI-UHFFFAOYSA-N 1 3 367.494 2.701 20 0 FFADHO CC(C)C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCc2cccnc21 ZINC000572612570 518277690 /nfs/dbraw/zinc/27/76/90/518277690.db2.gz GUBBJENRQHDZLW-MJGOQNOKSA-N 1 3 358.530 2.614 20 0 FFADHO CC(C)C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCc2cccnc21 ZINC000572612570 518277693 /nfs/dbraw/zinc/27/76/93/518277693.db2.gz GUBBJENRQHDZLW-MJGOQNOKSA-N 1 3 358.530 2.614 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000564063064 518291381 /nfs/dbraw/zinc/29/13/81/518291381.db2.gz SQFNZNPKYSXEMC-CTNGQTDRSA-N 1 3 358.530 2.855 20 0 FFADHO Cc1nc(C)c(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1 ZINC000575837493 518301992 /nfs/dbraw/zinc/30/19/92/518301992.db2.gz BTTPNLDRLKJKEX-UHFFFAOYSA-N 1 3 364.559 2.574 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccc(F)cc1C ZINC000584411588 518328859 /nfs/dbraw/zinc/32/88/59/518328859.db2.gz QHVSQVHGIZRDEA-NBYUQASBSA-N 1 3 361.505 2.501 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccc(F)cc1C ZINC000584411588 518328864 /nfs/dbraw/zinc/32/88/64/518328864.db2.gz QHVSQVHGIZRDEA-NBYUQASBSA-N 1 3 361.505 2.501 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3ccncc3)CC2)CC1 ZINC000581565257 518348125 /nfs/dbraw/zinc/34/81/25/518348125.db2.gz FSXHKWSMJLNTFR-NRFANRHFSA-N 1 3 370.541 2.941 20 0 FFADHO NC[C@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc2ccccc2c1 ZINC000581656871 518393327 /nfs/dbraw/zinc/39/33/27/518393327.db2.gz AHHCYCDPQHNCDH-RTWAWAEBSA-N 1 3 366.509 2.871 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000584578012 518405775 /nfs/dbraw/zinc/40/57/75/518405775.db2.gz JMVOVQUHNZNZPF-ROUUACIJSA-N 1 3 372.513 2.625 20 0 FFADHO CC1(CNC(=O)NCC2CCN(Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000570028755 518406780 /nfs/dbraw/zinc/40/67/80/518406780.db2.gz NTFOEBXBEDZFPN-UHFFFAOYSA-N 1 3 364.559 2.649 20 0 FFADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000584579771 518407413 /nfs/dbraw/zinc/40/74/13/518407413.db2.gz KZUNIJYTOQSUNZ-ARFHVFGLSA-N 1 3 350.532 2.572 20 0 FFADHO CSC1(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CCN(C)CC1 ZINC000564385289 518425795 /nfs/dbraw/zinc/42/57/95/518425795.db2.gz MKDZEYPGOFHMFQ-UHFFFAOYSA-N 1 3 370.607 2.768 20 0 FFADHO CSC1(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCN(C)CC1 ZINC000564385289 518425798 /nfs/dbraw/zinc/42/57/98/518425798.db2.gz MKDZEYPGOFHMFQ-UHFFFAOYSA-N 1 3 370.607 2.768 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570072209 518427341 /nfs/dbraw/zinc/42/73/41/518427341.db2.gz LAEVTXAONLYWSW-CDXJDZJCSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000570072209 518427350 /nfs/dbraw/zinc/42/73/50/518427350.db2.gz LAEVTXAONLYWSW-CDXJDZJCSA-N 1 3 370.541 2.826 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000572941485 518430678 /nfs/dbraw/zinc/43/06/78/518430678.db2.gz MMXCNISNJUYNPQ-FXAWDEMLSA-N 1 3 372.513 2.767 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000567251563 518431135 /nfs/dbraw/zinc/43/11/35/518431135.db2.gz TUWKZCJQTROFKA-IOMROCGXSA-N 1 3 373.541 2.560 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000564430733 518449438 /nfs/dbraw/zinc/44/94/38/518449438.db2.gz OCMWCWJTMRBVLJ-IRXDYDNUSA-N 1 3 364.559 2.731 20 0 FFADHO N[C@H]1Cc2ccccc2N(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000564465038 518463611 /nfs/dbraw/zinc/46/36/11/518463611.db2.gz CFHHVXYNBXCAHI-OKZBNKHCSA-N 1 3 355.869 2.560 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C[C@@]1(C)C[NH3+] ZINC000579090765 518516817 /nfs/dbraw/zinc/51/68/17/518516817.db2.gz SLDGQQQKASYYEQ-RVKKMQEKSA-N 1 3 350.532 2.511 20 0 FFADHO CC[C@@H](CNC(=O)c1ccccc1CC[NH3+])N1CCc2ccccc2C1 ZINC000564664298 518552774 /nfs/dbraw/zinc/55/27/74/518552774.db2.gz MEIZWJXFQNVHJQ-FQEVSTJZSA-N 1 3 351.494 2.755 20 0 FFADHO CN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000582172887 518623045 /nfs/dbraw/zinc/62/30/45/518623045.db2.gz WCDPDGVGSLORRL-VJBWXMMDSA-N 1 3 370.585 2.657 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ncccc1CN ZINC000579330861 518629541 /nfs/dbraw/zinc/62/95/41/518629541.db2.gz JTMKXTKYEKRWAP-UHFFFAOYSA-N 1 3 368.485 2.706 20 0 FFADHO NC[C@@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc2ccccc2c1 ZINC000579333703 518631515 /nfs/dbraw/zinc/63/15/15/518631515.db2.gz WLVRDWVZHUMDRZ-DYESRHJHSA-N 1 3 366.509 2.967 20 0 FFADHO Cc1ccc(NC(=O)C2(CNC[C@@H](O)C[N@@H+](C)C3CC3)CCCC2)cc1C ZINC000570509282 518641817 /nfs/dbraw/zinc/64/18/17/518641817.db2.gz WTBMIHNDIXEKOQ-HXUWFJFHSA-N 1 3 373.541 2.847 20 0 FFADHO Cc1ccc(NC(=O)C2(CNC[C@@H](O)C[N@H+](C)C3CC3)CCCC2)cc1C ZINC000570509282 518641824 /nfs/dbraw/zinc/64/18/24/518641824.db2.gz WTBMIHNDIXEKOQ-HXUWFJFHSA-N 1 3 373.541 2.847 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000582220365 518642651 /nfs/dbraw/zinc/64/26/51/518642651.db2.gz CHUBWZQIAHYGRI-UHFFFAOYSA-N 1 3 358.530 2.845 20 0 FFADHO O=C(CCNCC1([NH+]2CCCC2)CCOCC1)Nc1cc(F)cc(F)c1 ZINC000564844993 518647817 /nfs/dbraw/zinc/64/78/17/518647817.db2.gz RNRKCPAZAMZPKS-UHFFFAOYSA-N 1 3 367.440 2.528 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)CCOC(C)C)C2)s1 ZINC000579480794 518701629 /nfs/dbraw/zinc/70/16/29/518701629.db2.gz XPLSSJFEGIKNGN-ROUUACIJSA-N 1 3 354.560 2.986 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)CCOC(C)C)C2)s1 ZINC000579480794 518701639 /nfs/dbraw/zinc/70/16/39/518701639.db2.gz XPLSSJFEGIKNGN-ROUUACIJSA-N 1 3 354.560 2.986 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000576687654 518714068 /nfs/dbraw/zinc/71/40/68/518714068.db2.gz ZRHSDUYOTSICBD-YSSFQJQWSA-N 1 3 352.482 2.951 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000570694356 518736763 /nfs/dbraw/zinc/73/67/63/518736763.db2.gz GOZXIAQIEAUPPX-XUVXKRRUSA-N 1 3 369.896 2.646 20 0 FFADHO [NH3+]CCC1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000576761489 518750998 /nfs/dbraw/zinc/75/09/98/518750998.db2.gz OHKFZNMGXRDFER-UHFFFAOYSA-N 1 3 350.551 2.803 20 0 FFADHO COC1(CCN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000573628483 518757659 /nfs/dbraw/zinc/75/76/59/518757659.db2.gz LMXPWPVOJVNJAD-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO COC1(CCN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000573628483 518757667 /nfs/dbraw/zinc/75/76/67/518757667.db2.gz LMXPWPVOJVNJAD-NRFANRHFSA-N 1 3 357.542 2.838 20 0 FFADHO Clc1ccc(O[C@H]2CCCN(CCN3CC[NH2+]CC3)C2)cc1Cl ZINC000567891225 518769701 /nfs/dbraw/zinc/76/97/01/518769701.db2.gz PMXOSGSWMWIOQF-HNNXBMFYSA-N 1 3 358.313 2.742 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)c2ccccc2)CC1 ZINC000576807335 518771935 /nfs/dbraw/zinc/77/19/35/518771935.db2.gz HBISKQYYJOERGM-PZJWPPBQSA-N 1 3 358.530 2.840 20 0 FFADHO C[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)[C@H](c1ccccc1)[NH+](C)C ZINC000573666444 518775497 /nfs/dbraw/zinc/77/54/97/518775497.db2.gz GNLCBJLPADXIAF-FOIQADDNSA-N 1 3 368.481 2.982 20 0 FFADHO O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000582540659 518803231 /nfs/dbraw/zinc/80/32/31/518803231.db2.gz OSKHWWSWBVYMBP-BHIYHBOVSA-N 1 3 357.498 2.507 20 0 FFADHO CO[C@@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000576937486 518836006 /nfs/dbraw/zinc/83/60/06/518836006.db2.gz JERSSUIGCXJKGS-ALFLXDJESA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CCN(Cc2cncc(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000576937486 518836012 /nfs/dbraw/zinc/83/60/12/518836012.db2.gz JERSSUIGCXJKGS-ALFLXDJESA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CC[N@@H+](Cc2cncc(CN3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000576937486 518836014 /nfs/dbraw/zinc/83/60/14/518836014.db2.gz JERSSUIGCXJKGS-ALFLXDJESA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CC[N@H+](Cc2cncc(CN3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000576937486 518836021 /nfs/dbraw/zinc/83/60/21/518836021.db2.gz JERSSUIGCXJKGS-ALFLXDJESA-N 1 3 361.530 2.795 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)S[C@H](C)C3)CC2)CC1 ZINC000582614205 518839966 /nfs/dbraw/zinc/83/99/66/518839966.db2.gz KSKMVZMBTRLCAK-HZPDHXFCSA-N 1 3 353.576 2.535 20 0 FFADHO CSc1cc(NC2CCN(C3CC[NH+](C)CC3)CC2)nc(SC)n1 ZINC000565220230 518848590 /nfs/dbraw/zinc/84/85/90/518848590.db2.gz DHNXFIHWFMMXMP-UHFFFAOYSA-N 1 3 367.588 2.891 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)c1conc1C(C)(C)N)c1cccc(OC)c1 ZINC000565218208 518848840 /nfs/dbraw/zinc/84/88/40/518848840.db2.gz OYANYPZAQZBTPE-KRWDZBQOSA-N 1 3 374.485 2.690 20 0 FFADHO CCC[C@H]1CN(CCCc2cncn2C)CC[N@@H+]1CCCc1cncn1C ZINC000570981057 518869635 /nfs/dbraw/zinc/86/96/35/518869635.db2.gz CLYXERSMCGCHOF-NRFANRHFSA-N 1 3 372.561 2.505 20 0 FFADHO CCC[C@H]1CN(CCCc2cncn2C)CC[N@H+]1CCCc1cncn1C ZINC000570981057 518869645 /nfs/dbraw/zinc/86/96/45/518869645.db2.gz CLYXERSMCGCHOF-NRFANRHFSA-N 1 3 372.561 2.505 20 0 FFADHO CCC[C@H]1C[N@H+](CCCc2cncn2C)CCN1CCCc1cncn1C ZINC000570981057 518869650 /nfs/dbraw/zinc/86/96/50/518869650.db2.gz CLYXERSMCGCHOF-NRFANRHFSA-N 1 3 372.561 2.505 20 0 FFADHO CCC[C@H]1C[N@@H+](CCCc2cncn2C)CCN1CCCc1cncn1C ZINC000570981057 518869659 /nfs/dbraw/zinc/86/96/59/518869659.db2.gz CLYXERSMCGCHOF-NRFANRHFSA-N 1 3 372.561 2.505 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000573904924 518892728 /nfs/dbraw/zinc/89/27/28/518892728.db2.gz NZKCPHKUGGQFGK-ZVZYQTTQSA-N 1 3 364.559 2.900 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000571039935 518897901 /nfs/dbraw/zinc/89/79/01/518897901.db2.gz NZIJLEFFZCMMBQ-IRXDYDNUSA-N 1 3 352.544 2.858 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000571046024 518901650 /nfs/dbraw/zinc/90/16/50/518901650.db2.gz SWFJXVIIRAWVMD-UNMCSNQZSA-N 1 3 370.585 2.799 20 0 FFADHO CCOCCC1(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000568195789 518919483 /nfs/dbraw/zinc/91/94/83/518919483.db2.gz QQIXBUHCCPJHSA-UHFFFAOYSA-N 1 3 365.562 2.506 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C(C(F)(F)F)CC3)CC2)CC1 ZINC000568202280 518923594 /nfs/dbraw/zinc/92/35/94/518923594.db2.gz IVJOKKHRANCMLF-UHFFFAOYSA-N 1 3 373.463 2.904 20 0 FFADHO N[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)c2ccccc21 ZINC000571194297 518972156 /nfs/dbraw/zinc/97/21/56/518972156.db2.gz XFNDZRLGQRIVPL-VLCRHTCISA-N 1 3 351.494 2.664 20 0 FFADHO CN(Cc1cncc(C[N@H+](C)C[C@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000574248057 519059322 /nfs/dbraw/zinc/05/93/22/519059322.db2.gz OUIAUJHXNRDQJZ-RTBURBONSA-N 1 3 361.530 2.798 20 0 FFADHO CN(Cc1cncc(C[N@@H+](C)C[C@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000574248057 519059331 /nfs/dbraw/zinc/05/93/31/519059331.db2.gz OUIAUJHXNRDQJZ-RTBURBONSA-N 1 3 361.530 2.798 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](CCOc3cccc4ccccc43)C2)nn1 ZINC000568492894 519067011 /nfs/dbraw/zinc/06/70/11/519067011.db2.gz RVKCYIFJXRBFGS-GOSISDBHSA-N 1 3 351.454 2.606 20 0 FFADHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)COCc1ccc(Cl)cc1 ZINC000571433562 519094313 /nfs/dbraw/zinc/09/43/13/519094313.db2.gz LIJXLRDOJAKXBJ-CTWPCTMYSA-N 1 3 352.906 2.824 20 0 FFADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000571463992 519108232 /nfs/dbraw/zinc/10/82/32/519108232.db2.gz OTIOCZDMFJAKDI-ACRUOGEOSA-N 1 3 372.557 2.710 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000565743367 519109990 /nfs/dbraw/zinc/10/99/90/519109990.db2.gz IOCKVLFJJHFYMK-MOPGFXCFSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000565743367 519109995 /nfs/dbraw/zinc/10/99/95/519109995.db2.gz IOCKVLFJJHFYMK-MOPGFXCFSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C ZINC000565743367 519109997 /nfs/dbraw/zinc/10/99/97/519109997.db2.gz IOCKVLFJJHFYMK-MOPGFXCFSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C ZINC000565743367 519110002 /nfs/dbraw/zinc/11/00/02/519110002.db2.gz IOCKVLFJJHFYMK-MOPGFXCFSA-N 1 3 360.498 2.771 20 0 FFADHO Cc1cc(C)cc(OC[C@@H](O)CNCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000580315637 519114379 /nfs/dbraw/zinc/11/43/79/519114379.db2.gz GKRRARGWYUHDQI-NRFANRHFSA-N 1 3 356.510 2.937 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000568621448 519133139 /nfs/dbraw/zinc/13/31/39/519133139.db2.gz OIMNLSAEDJCXIV-GDBMZVCRSA-N 1 3 371.319 2.510 20 0 FFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000580642413 519278574 /nfs/dbraw/zinc/27/85/74/519278574.db2.gz VYXNTCWLCMXDBR-PZJWPPBQSA-N 1 3 359.558 2.691 20 0 FFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000580642412 519279723 /nfs/dbraw/zinc/27/97/23/519279723.db2.gz VYXNTCWLCMXDBR-FPOVZHCZSA-N 1 3 359.558 2.691 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000566101072 519300243 /nfs/dbraw/zinc/30/02/43/519300243.db2.gz LCAQREDBHMFNHJ-NJDAHSKKSA-N 1 3 373.541 2.691 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107981 519303694 /nfs/dbraw/zinc/30/36/94/519303694.db2.gz SONPHDGMNNTGJO-UNMCSNQZSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107981 519303697 /nfs/dbraw/zinc/30/36/97/519303697.db2.gz SONPHDGMNNTGJO-UNMCSNQZSA-N 1 3 356.485 2.883 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000566107981 519303701 /nfs/dbraw/zinc/30/37/01/519303701.db2.gz SONPHDGMNNTGJO-UNMCSNQZSA-N 1 3 356.485 2.883 20 0 FFADHO C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000583629684 519349478 /nfs/dbraw/zinc/34/94/78/519349478.db2.gz WQAPKLVBZQSWMP-DYESRHJHSA-N 1 3 366.509 2.775 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773415 519350761 /nfs/dbraw/zinc/35/07/61/519350761.db2.gz MUOWNWCBPFNNGJ-JOCHJYFZSA-N 1 3 370.585 2.801 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccccc1F ZINC000572030529 519407887 /nfs/dbraw/zinc/40/78/87/519407887.db2.gz XZXJRXQFIQXAEK-VQTJNVASSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccccc1F ZINC000572030529 519407896 /nfs/dbraw/zinc/40/78/96/519407896.db2.gz XZXJRXQFIQXAEK-VQTJNVASSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)COc1ccccc1F ZINC000572030529 519407901 /nfs/dbraw/zinc/40/79/01/519407901.db2.gz XZXJRXQFIQXAEK-VQTJNVASSA-N 1 3 372.484 2.720 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000572044394 519415454 /nfs/dbraw/zinc/41/54/54/519415454.db2.gz GWUCIHOOLWGPHU-NRFANRHFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000575087871 519493415 /nfs/dbraw/zinc/49/34/15/519493415.db2.gz OMCPRNCVSJNHAY-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC[C@H](O)Cn3cccn3)cc2)C1 ZINC000581059183 519501691 /nfs/dbraw/zinc/50/16/91/519501691.db2.gz PCYKJEAIFWBPEU-UEXGIBASSA-N 1 3 356.514 2.512 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC[C@H](O)Cn3cccn3)cc2)C1 ZINC000581059183 519501701 /nfs/dbraw/zinc/50/17/01/519501701.db2.gz PCYKJEAIFWBPEU-UEXGIBASSA-N 1 3 356.514 2.512 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccncc1OCCN(C)C)CC2 ZINC000575157038 519531038 /nfs/dbraw/zinc/53/10/38/519531038.db2.gz KJTPIRRBBOCJPQ-IBGZPJMESA-N 1 3 355.482 2.678 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)N(C)C ZINC000578341842 519545958 /nfs/dbraw/zinc/54/59/58/519545958.db2.gz OBRMEJCPWKCBOW-ZULIPRJHSA-N 1 3 360.546 2.968 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)N(C)C ZINC000578341842 519545964 /nfs/dbraw/zinc/54/59/64/519545964.db2.gz OBRMEJCPWKCBOW-ZULIPRJHSA-N 1 3 360.546 2.968 20 0 FFADHO CN1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](c2ccccc2)C1 ZINC000569471895 519568500 /nfs/dbraw/zinc/56/85/00/519568500.db2.gz IPGGJBKMVNBWRZ-SFTDATJTSA-N 1 3 351.494 2.618 20 0 FFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000581202915 519575085 /nfs/dbraw/zinc/57/50/85/519575085.db2.gz YNFZNNAFYUFGDJ-OAQYLSRUSA-N 1 3 366.509 2.604 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000575320676 519586653 /nfs/dbraw/zinc/58/66/53/519586653.db2.gz DLQTVDXDUMUKSF-JKSUJKDBSA-N 1 3 352.548 2.913 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000575320676 519586659 /nfs/dbraw/zinc/58/66/59/519586659.db2.gz DLQTVDXDUMUKSF-JKSUJKDBSA-N 1 3 352.548 2.913 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(SC)cn3)CC2)CC1 ZINC000575328064 519590942 /nfs/dbraw/zinc/59/09/42/519590942.db2.gz JUZPIKPTHIPYPR-UHFFFAOYSA-N 1 3 362.543 2.938 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000594495644 520003594 /nfs/dbraw/zinc/00/35/94/520003594.db2.gz ROWLKSFDQJRTBX-RXVVDRJESA-N 1 3 371.525 2.609 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000594502179 520006337 /nfs/dbraw/zinc/00/63/37/520006337.db2.gz YZJPWSFAUITBEG-OXJNMPFZSA-N 1 3 360.498 2.941 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000594502179 520006343 /nfs/dbraw/zinc/00/63/43/520006343.db2.gz YZJPWSFAUITBEG-OXJNMPFZSA-N 1 3 360.498 2.941 20 0 FFADHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000591759298 520026678 /nfs/dbraw/zinc/02/66/78/520026678.db2.gz LFDRTTVZPUDDGO-PLACYPQZSA-N 1 3 374.525 2.581 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000597444709 520033607 /nfs/dbraw/zinc/03/36/07/520033607.db2.gz QNQVUZULBMPGPE-UXHICEINSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000597444709 520033612 /nfs/dbraw/zinc/03/36/12/520033612.db2.gz QNQVUZULBMPGPE-UXHICEINSA-N 1 3 362.562 2.815 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000608638774 520058871 /nfs/dbraw/zinc/05/88/71/520058871.db2.gz ANKGDSWSKPWRLN-HSALFYBXSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000608638774 520058879 /nfs/dbraw/zinc/05/88/79/520058879.db2.gz ANKGDSWSKPWRLN-HSALFYBXSA-N 1 3 356.514 2.529 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000608698373 520087322 /nfs/dbraw/zinc/08/73/22/520087322.db2.gz OIWQBLMTDANOOT-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000608698373 520087329 /nfs/dbraw/zinc/08/73/29/520087329.db2.gz OIWQBLMTDANOOT-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO COC(=O)c1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000608864862 520149802 /nfs/dbraw/zinc/14/98/02/520149802.db2.gz UTTPVRIAVMLWQO-CALCHBBNSA-N 1 3 360.498 2.794 20 0 FFADHO COC(=O)c1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000608864862 520149805 /nfs/dbraw/zinc/14/98/05/520149805.db2.gz UTTPVRIAVMLWQO-CALCHBBNSA-N 1 3 360.498 2.794 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612987792 520257734 /nfs/dbraw/zinc/25/77/34/520257734.db2.gz NSKNPVWUPQURHL-VQTJNVASSA-N 1 3 372.557 2.929 20 0 FFADHO COC(=O)c1coc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000595049744 520270210 /nfs/dbraw/zinc/27/02/10/520270210.db2.gz NZQBUSYJRJYZHB-CQSZACIVSA-N 1 3 350.459 2.608 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000604115780 520454883 /nfs/dbraw/zinc/45/48/83/520454883.db2.gz ASWWXZFITXYLMR-WOJBJXKFSA-N 1 3 358.530 2.823 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000604203367 520484979 /nfs/dbraw/zinc/48/49/79/520484979.db2.gz CRVLWBCDJNIFDD-KRWDZBQOSA-N 1 3 364.921 2.650 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000600855895 520498839 /nfs/dbraw/zinc/49/88/39/520498839.db2.gz QBQNTKQSCKVAGD-ROUUACIJSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000600855895 520498844 /nfs/dbraw/zinc/49/88/44/520498844.db2.gz QBQNTKQSCKVAGD-ROUUACIJSA-N 1 3 352.567 2.918 20 0 FFADHO COCc1c2ccccc2oc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503978 520539484 /nfs/dbraw/zinc/53/94/84/520539484.db2.gz CXLPRUFVHKNPPD-HNNXBMFYSA-N 1 3 361.486 2.581 20 0 FFADHO COCc1c2ccccc2oc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503978 520539491 /nfs/dbraw/zinc/53/94/91/520539491.db2.gz CXLPRUFVHKNPPD-HNNXBMFYSA-N 1 3 361.486 2.581 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccccc1C(F)(F)F ZINC000617505877 520540840 /nfs/dbraw/zinc/54/08/40/520540840.db2.gz TZFLIEDPFVLJRM-AWEZNQCLSA-N 1 3 359.436 2.636 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccccc1C(F)(F)F ZINC000617505877 520540845 /nfs/dbraw/zinc/54/08/45/520540845.db2.gz TZFLIEDPFVLJRM-AWEZNQCLSA-N 1 3 359.436 2.636 20 0 FFADHO Cc1sc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1C(C)C ZINC000617507458 520544444 /nfs/dbraw/zinc/54/44/44/520544444.db2.gz XJPHBZQSIPICLS-AWEZNQCLSA-N 1 3 354.564 2.506 20 0 FFADHO Cc1sc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1C(C)C ZINC000617507458 520544449 /nfs/dbraw/zinc/54/44/49/520544449.db2.gz XJPHBZQSIPICLS-AWEZNQCLSA-N 1 3 354.564 2.506 20 0 FFADHO C[N@H+](CCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)C1CCCCC1 ZINC000617703243 520666259 /nfs/dbraw/zinc/66/62/59/520666259.db2.gz FDVMLGBCTHWEGA-NRFANRHFSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@@H+](CCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)C1CCCCC1 ZINC000617703243 520666267 /nfs/dbraw/zinc/66/62/67/520666267.db2.gz FDVMLGBCTHWEGA-NRFANRHFSA-N 1 3 373.541 2.524 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000601286478 520722791 /nfs/dbraw/zinc/72/27/91/520722791.db2.gz XPZCDVDMKPUIHO-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000601286478 520722797 /nfs/dbraw/zinc/72/27/97/520722797.db2.gz XPZCDVDMKPUIHO-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614028782 520769799 /nfs/dbraw/zinc/76/97/99/520769799.db2.gz OYMVCLARNMLUGI-NHCUHLMSSA-N 1 3 355.526 2.999 20 0 FFADHO CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929859 520786002 /nfs/dbraw/zinc/78/60/02/520786002.db2.gz RSPWHVWRIQRWKS-OAQYLSRUSA-N 1 3 372.557 2.532 20 0 FFADHO CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617929859 520786009 /nfs/dbraw/zinc/78/60/09/520786009.db2.gz RSPWHVWRIQRWKS-OAQYLSRUSA-N 1 3 372.557 2.532 20 0 FFADHO C[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000617978106 520815324 /nfs/dbraw/zinc/81/53/24/520815324.db2.gz PTBGTHNZBGZLIK-GOSISDBHSA-N 1 3 358.530 2.674 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000617977322 520815832 /nfs/dbraw/zinc/81/58/32/520815832.db2.gz SGACKEIRBXHLOH-NRFANRHFSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000617977322 520815839 /nfs/dbraw/zinc/81/58/39/520815839.db2.gz SGACKEIRBXHLOH-NRFANRHFSA-N 1 3 370.541 2.817 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000605404427 520862623 /nfs/dbraw/zinc/86/26/23/520862623.db2.gz IUOCPQUUILPEJR-GOSISDBHSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000605404427 520862629 /nfs/dbraw/zinc/86/26/29/520862629.db2.gz IUOCPQUUILPEJR-GOSISDBHSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000606690980 521137396 /nfs/dbraw/zinc/13/73/96/521137396.db2.gz UIYYTRLVAIGAMI-SLYNCCJLSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000606690980 521137401 /nfs/dbraw/zinc/13/74/01/521137401.db2.gz UIYYTRLVAIGAMI-SLYNCCJLSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618661399 521176162 /nfs/dbraw/zinc/17/61/62/521176162.db2.gz WLUXDDUXYFAIOC-KRWDZBQOSA-N 1 3 359.514 2.764 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618661399 521176171 /nfs/dbraw/zinc/17/61/71/521176171.db2.gz WLUXDDUXYFAIOC-KRWDZBQOSA-N 1 3 359.514 2.764 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)CCOC4)CC2)CC1 ZINC000618852249 521263674 /nfs/dbraw/zinc/26/36/74/521263674.db2.gz SJZBPVVLPHWEDF-UHFFFAOYSA-N 1 3 371.525 2.894 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000594103633 521406539 /nfs/dbraw/zinc/40/65/39/521406539.db2.gz FJCHFASWKUIONN-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cnn(CCN(C)C)c1 ZINC000631947796 521799521 /nfs/dbraw/zinc/79/95/21/521799521.db2.gz MOISVFARGDKWGN-UHFFFAOYSA-N 1 3 355.486 2.601 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000625944005 521800785 /nfs/dbraw/zinc/80/07/85/521800785.db2.gz CSDCDHYXMQRPFW-MRXNPFEDSA-N 1 3 360.502 2.802 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000625944005 521800794 /nfs/dbraw/zinc/80/07/94/521800794.db2.gz CSDCDHYXMQRPFW-MRXNPFEDSA-N 1 3 360.502 2.802 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[NH2+][C@H]2CCCS(=O)(=O)CC2)C1 ZINC000634953149 521832257 /nfs/dbraw/zinc/83/22/57/521832257.db2.gz SMRKFZBDFNYZGS-XLIONFOSSA-N 1 3 364.555 2.975 20 0 FFADHO C[C@@H]1CN(Cc2sc(N3CCOCC3)nc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000634998156 521858321 /nfs/dbraw/zinc/85/83/21/521858321.db2.gz BMIGIYQIFVUTRB-NVXWUHKLSA-N 1 3 372.538 2.673 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623465820 522043575 /nfs/dbraw/zinc/04/35/75/522043575.db2.gz FYXJPRIDXQVOKG-PKOBYXMFSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623465820 522043584 /nfs/dbraw/zinc/04/35/84/522043584.db2.gz FYXJPRIDXQVOKG-PKOBYXMFSA-N 1 3 350.551 2.957 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629419162 522207156 /nfs/dbraw/zinc/20/71/56/522207156.db2.gz IVUPLVIIWUWSNR-UHFFFAOYSA-N 1 3 367.578 2.992 20 0 FFADHO O=C1[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccc(Cl)cc1F ZINC000629531881 522298894 /nfs/dbraw/zinc/29/88/94/522298894.db2.gz BXHHRYNIWOXWDA-KLZCAUPSSA-N 1 3 351.853 2.562 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000629552716 522308815 /nfs/dbraw/zinc/30/88/15/522308815.db2.gz OSODVPHABOZLPY-VXKWHMMOSA-N 1 3 372.484 2.738 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000620662487 522342825 /nfs/dbraw/zinc/34/28/25/522342825.db2.gz SHNRWAMEDHBCPA-NHCUHLMSSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000620662487 522342835 /nfs/dbraw/zinc/34/28/35/522342835.db2.gz SHNRWAMEDHBCPA-NHCUHLMSSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000620912826 522514416 /nfs/dbraw/zinc/51/44/16/522514416.db2.gz UHSGIVHHWNMAMA-WOJBJXKFSA-N 1 3 373.541 2.781 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000626922007 522531395 /nfs/dbraw/zinc/53/13/95/522531395.db2.gz MGVWQRLNABVGPW-ZYSHUDEJSA-N 1 3 362.543 2.526 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C2 ZINC000626979395 522568272 /nfs/dbraw/zinc/56/82/72/522568272.db2.gz YJFBDEUIQDEXBL-ILWGZMRPSA-N 1 3 370.541 2.855 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000627166228 522689786 /nfs/dbraw/zinc/68/97/86/522689786.db2.gz ARBCDSLKAQXYGW-BTHPGYMESA-N 1 3 358.530 2.821 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000624544753 522766594 /nfs/dbraw/zinc/76/65/94/522766594.db2.gz BOJZDSCBBAWWML-UYAOXDASSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624544753 522766609 /nfs/dbraw/zinc/76/66/09/522766609.db2.gz BOJZDSCBBAWWML-UYAOXDASSA-N 1 3 362.562 2.815 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)Cc1ccco1 ZINC000624786480 522923982 /nfs/dbraw/zinc/92/39/82/522923982.db2.gz GCHYUAYCBAKEOB-GOSISDBHSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)Cc1ccco1 ZINC000624786480 522923990 /nfs/dbraw/zinc/92/39/90/522923990.db2.gz GCHYUAYCBAKEOB-GOSISDBHSA-N 1 3 362.518 2.760 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc4ccccc4n3C)CC2)CC1 ZINC000636434549 522983718 /nfs/dbraw/zinc/98/37/18/522983718.db2.gz GKNMOCIUKPNMCH-UHFFFAOYSA-N 1 3 369.513 2.708 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000621643009 522991130 /nfs/dbraw/zinc/99/11/30/522991130.db2.gz ZSZQCQGNPNAJOA-GOSISDBHSA-N 1 3 373.541 2.803 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000633941789 523082232 /nfs/dbraw/zinc/08/22/32/523082232.db2.gz GJCZHKFXMJDMLE-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636816045 523230727 /nfs/dbraw/zinc/23/07/27/523230727.db2.gz JHNHUZAHSVYDOS-QGZVFWFLSA-N 1 3 362.522 2.536 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000636816045 523230736 /nfs/dbraw/zinc/23/07/36/523230736.db2.gz JHNHUZAHSVYDOS-QGZVFWFLSA-N 1 3 362.522 2.536 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000628050790 523303869 /nfs/dbraw/zinc/30/38/69/523303869.db2.gz MUQCCCNNAWVIGV-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000628050790 523303875 /nfs/dbraw/zinc/30/38/75/523303875.db2.gz MUQCCCNNAWVIGV-ZDUSSCGKSA-N 1 3 360.329 2.924 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000637014835 523367004 /nfs/dbraw/zinc/36/70/04/523367004.db2.gz JFANXKMLELFTOI-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[NH+]1CCCCC1 ZINC000637041589 523381961 /nfs/dbraw/zinc/38/19/61/523381961.db2.gz VRLLKRVRNPVPFS-MRXNPFEDSA-N 1 3 362.522 2.536 20 0 FFADHO OCCOC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC(F)(F)CC1 ZINC000628423342 523546521 /nfs/dbraw/zinc/54/65/21/523546521.db2.gz OVUQKJIRHIFVQZ-UHFFFAOYSA-N 1 3 369.456 2.597 20 0 FFADHO CC1(C)C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000634681390 523579975 /nfs/dbraw/zinc/57/99/75/523579975.db2.gz OPBKZAAVEUOBSL-LJQANCHMSA-N 1 3 359.514 2.559 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)C[C@H]1C ZINC000637372016 523589815 /nfs/dbraw/zinc/58/98/15/523589815.db2.gz IIHYYNWAWHCFHF-NZSAHSFTSA-N 1 3 350.551 2.908 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)C[C@H]1C ZINC000637372016 523589826 /nfs/dbraw/zinc/58/98/26/523589826.db2.gz IIHYYNWAWHCFHF-NZSAHSFTSA-N 1 3 350.551 2.908 20 0 FFADHO O[C@]1(CN[C@@H](c2ccccc2)[C@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708925 523597543 /nfs/dbraw/zinc/59/75/43/523597543.db2.gz BFEIPSXOWLDWCD-VABKMULXSA-N 1 3 366.505 2.991 20 0 FFADHO O[C@]1(CN[C@@H](c2ccccc2)[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708925 523597559 /nfs/dbraw/zinc/59/75/59/523597559.db2.gz BFEIPSXOWLDWCD-VABKMULXSA-N 1 3 366.505 2.991 20 0 FFADHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000825281857 607485906 /nfs/dbraw/zinc/48/59/06/607485906.db2.gz KUVSZXANNULIPU-UHFFFAOYSA-N 1 3 372.517 2.819 20 0 FFADHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000825281857 607485907 /nfs/dbraw/zinc/48/59/07/607485907.db2.gz KUVSZXANNULIPU-UHFFFAOYSA-N 1 3 372.517 2.819 20 0 FFADHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000825281857 607485908 /nfs/dbraw/zinc/48/59/08/607485908.db2.gz KUVSZXANNULIPU-UHFFFAOYSA-N 1 3 372.517 2.819 20 0 FFADHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000825281857 607485909 /nfs/dbraw/zinc/48/59/09/607485909.db2.gz KUVSZXANNULIPU-UHFFFAOYSA-N 1 3 372.517 2.819 20 0 FFADHO Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000822740004 607486089 /nfs/dbraw/zinc/48/60/89/607486089.db2.gz GDNOWWFNSYJBAK-UHFFFAOYSA-N 1 3 358.465 2.893 20 0 FFADHO CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000825328660 608508876 /nfs/dbraw/zinc/50/88/76/608508876.db2.gz VWWXTJYYYUGGSJ-LJQANCHMSA-N 1 3 354.502 2.956 20 0 FFADHO CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000825328660 608508877 /nfs/dbraw/zinc/50/88/77/608508877.db2.gz VWWXTJYYYUGGSJ-LJQANCHMSA-N 1 3 354.502 2.956 20 0 FFADHO CN(C)c1cc[nH+]c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164907686 721531882 /nfs/dbraw/zinc/53/18/82/721531882.db2.gz NYBXQUWLZPRZTP-HKUYNNGSSA-N 1 3 356.445 2.629 20 0 FFADHO c1cc2c[nH+]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc2[nH]1 ZINC001164976418 722104004 /nfs/dbraw/zinc/10/40/04/722104004.db2.gz CXXHOQBBRBDYFM-AZUAARDMSA-N 1 3 363.465 2.685 20 0 FFADHO CC(C)N1CCC([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)CC1 ZINC000898291726 735338043 /nfs/dbraw/zinc/33/80/43/735338043.db2.gz MCJBMFCOVJHUSQ-UHFFFAOYSA-N 1 3 351.516 2.553 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCC1C[NH2+]C1 ZINC000638231023 730016303 /nfs/dbraw/zinc/01/63/03/730016303.db2.gz IHOZEZPSVHONOH-UHFFFAOYSA-N 1 3 357.420 2.595 20 0 FFADHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000638663369 730038253 /nfs/dbraw/zinc/03/82/53/730038253.db2.gz GFUWEEFRWDRRGS-VXGBXAGGSA-N 1 3 354.228 2.695 20 0 FFADHO C[C@H]([NH3+])CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000641439427 730227153 /nfs/dbraw/zinc/22/71/53/730227153.db2.gz GSOUUOPXYKOOBO-ZDUSSCGKSA-N 1 3 373.328 2.948 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)c(Br)cc1F ZINC000858125426 730417233 /nfs/dbraw/zinc/41/72/33/730417233.db2.gz DINZZDGLKUEAMY-CYBMUJFWSA-N 1 3 372.326 2.870 20 0 FFADHO Cn1cc(CNCC2CCN(c3cc[nH+]cc3)CC2)c(Br)n1 ZINC000858156339 730418133 /nfs/dbraw/zinc/41/81/33/730418133.db2.gz NAVKUZICZJYIOE-UHFFFAOYSA-N 1 3 364.291 2.584 20 0 FFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)n1 ZINC000925043358 738473393 /nfs/dbraw/zinc/47/33/93/738473393.db2.gz XFIADXRTXHHYJC-KBPBESRZSA-N 1 3 367.335 2.663 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000646254308 730646125 /nfs/dbraw/zinc/64/61/25/730646125.db2.gz JDNAYTGWJIVOCA-CQSZACIVSA-N 1 3 357.420 2.595 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368789 730693004 /nfs/dbraw/zinc/69/30/04/730693004.db2.gz NINYOCSDJLRGDX-QLFBSQMISA-N 1 3 361.477 2.903 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862368789 730693006 /nfs/dbraw/zinc/69/30/06/730693006.db2.gz NINYOCSDJLRGDX-QLFBSQMISA-N 1 3 361.477 2.903 20 0 FFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccccc1Br ZINC000647814780 730764280 /nfs/dbraw/zinc/76/42/80/730764280.db2.gz FUUXPIJNIDFMKK-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccccc1Br ZINC000647814780 730764284 /nfs/dbraw/zinc/76/42/84/730764284.db2.gz FUUXPIJNIDFMKK-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccccc1Br ZINC000647814780 730764286 /nfs/dbraw/zinc/76/42/86/730764286.db2.gz FUUXPIJNIDFMKK-UHFFFAOYSA-N 1 3 366.303 2.994 20 0 FFADHO CN(CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)S(C)(=O)=O ZINC000648419034 730807295 /nfs/dbraw/zinc/80/72/95/730807295.db2.gz DCIVSIIPXLFSEZ-UHFFFAOYSA-N 1 3 361.596 2.537 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCN3CCOC[C@H]3C)C2)s1 ZINC000649603410 730899075 /nfs/dbraw/zinc/89/90/75/730899075.db2.gz LOJNKLNQXUADIG-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCN3CCOC[C@H]3C)C2)s1 ZINC000649603410 730899078 /nfs/dbraw/zinc/89/90/78/730899078.db2.gz LOJNKLNQXUADIG-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCN3CCOC[C@H]3C)C2)s1 ZINC000649603410 730899080 /nfs/dbraw/zinc/89/90/80/730899080.db2.gz LOJNKLNQXUADIG-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCN3CCOC[C@H]3C)C2)s1 ZINC000649603410 730899083 /nfs/dbraw/zinc/89/90/83/730899083.db2.gz LOJNKLNQXUADIG-AEFFLSMTSA-N 1 3 351.560 2.531 20 0 FFADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000925515250 738511984 /nfs/dbraw/zinc/51/19/84/738511984.db2.gz QUTHMXJJWKOENQ-NFAWXSAZSA-N 1 3 354.878 2.640 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc(Cl)n1 ZINC000868049575 731254680 /nfs/dbraw/zinc/25/46/80/731254680.db2.gz YUERJLMEHPMXFF-CJNGLKHVSA-N 1 3 358.873 2.598 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc(Cl)n1 ZINC000868049576 731254747 /nfs/dbraw/zinc/25/47/47/731254747.db2.gz YUERJLMEHPMXFF-CZUORRHYSA-N 1 3 358.873 2.598 20 0 FFADHO CN(C)S(=O)(=O)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925592774 738517359 /nfs/dbraw/zinc/51/73/59/738517359.db2.gz HPNAKKRAOKOSKV-IBGZPJMESA-N 1 3 361.511 2.507 20 0 FFADHO C[C@]1(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)OCCc2sccc21 ZINC000655768315 731506894 /nfs/dbraw/zinc/50/68/94/731506894.db2.gz VKCMWTHDCTUNBC-QFBILLFUSA-N 1 3 350.528 2.769 20 0 FFADHO COc1ccc2nc(CN[C@@H](C)CN(C)CCC[NH+](C)C)sc2c1 ZINC000657573093 731791976 /nfs/dbraw/zinc/79/19/76/731791976.db2.gz JPNVMLKILBIABZ-AWEZNQCLSA-N 1 3 350.532 2.667 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659490632 731981851 /nfs/dbraw/zinc/98/18/51/731981851.db2.gz ZUGSDTBITURFMU-ZWKOTPCHSA-N 1 3 350.551 2.528 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000874432754 732057447 /nfs/dbraw/zinc/05/74/47/732057447.db2.gz QTJWPDBTSOQOKT-YVSFHVDLSA-N 1 3 362.543 2.715 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000661404093 732200539 /nfs/dbraw/zinc/20/05/39/732200539.db2.gz SPDPZMHBVUHYIE-GOSISDBHSA-N 1 3 352.567 2.917 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCCc3cccc(C[NH3+])c32)cc(Cl)n1 ZINC000877015112 732311865 /nfs/dbraw/zinc/31/18/65/732311865.db2.gz FVFIIMPZRSEJCT-MRXNPFEDSA-N 1 3 358.873 2.871 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000877146041 732328623 /nfs/dbraw/zinc/32/86/23/732328623.db2.gz FIFKBWKDZDDLHA-INIZCTEOSA-N 1 3 364.921 2.910 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1Br ZINC000665122143 732669735 /nfs/dbraw/zinc/66/97/35/732669735.db2.gz ULMQXBBMIOCMNJ-ZDUSSCGKSA-N 1 3 371.323 2.843 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1Br ZINC000665122143 732669740 /nfs/dbraw/zinc/66/97/40/732669740.db2.gz ULMQXBBMIOCMNJ-ZDUSSCGKSA-N 1 3 371.323 2.843 20 0 FFADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247324 732671817 /nfs/dbraw/zinc/67/18/17/732671817.db2.gz APULGLULSVGIMK-MRXNPFEDSA-N 1 3 361.555 2.829 20 0 FFADHO Cc1cc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nc(-c2cccs2)n1 ZINC000665700917 732744599 /nfs/dbraw/zinc/74/45/99/732744599.db2.gz QNRTXLGKHSTILY-OAHLLOKOSA-N 1 3 357.527 2.516 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CC(F)(F)F)CC1 ZINC000665762591 732752996 /nfs/dbraw/zinc/75/29/96/732752996.db2.gz JMDMPGCDNLLZSW-AWEZNQCLSA-N 1 3 366.472 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CC(F)(F)F)CC1 ZINC000665762591 732752998 /nfs/dbraw/zinc/75/29/98/732752998.db2.gz JMDMPGCDNLLZSW-AWEZNQCLSA-N 1 3 366.472 2.632 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccco1 ZINC000673142672 733589423 /nfs/dbraw/zinc/58/94/23/733589423.db2.gz NAMJIMNJZXAYDJ-BBWFWOEESA-N 1 3 350.507 2.881 20 0 FFADHO C[NH+](C)CCNC(=S)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000730156734 734618704 /nfs/dbraw/zinc/61/87/04/734618704.db2.gz LKSALPRLRJQMEV-UHFFFAOYSA-N 1 3 368.978 2.578 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000893564055 734720673 /nfs/dbraw/zinc/72/06/73/734720673.db2.gz MTVVHNCDLYGZPO-RDJZCZTQSA-N 1 3 358.368 2.509 20 0 FFADHO C[N@@H+]1C[C@@H]2CN(C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000897620224 735255859 /nfs/dbraw/zinc/25/58/59/735255859.db2.gz JDSMCXILOQKBBX-UXPWSPDFSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@H+]1C[C@@H]2CN(C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000897620224 735255863 /nfs/dbraw/zinc/25/58/63/735255863.db2.gz JDSMCXILOQKBBX-UXPWSPDFSA-N 1 3 351.535 2.907 20 0 FFADHO c1csc(CN(C[C@H]2CCCO2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903717993 736159549 /nfs/dbraw/zinc/15/95/49/736159549.db2.gz GXMYIOOXMJZWLL-SJORKVTESA-N 1 3 350.528 2.888 20 0 FFADHO Brc1ccc2c(c1)[C@@H](NC[C@H]1C[C@]3(CC[NH2+]C3)CO1)CCO2 ZINC000903786986 736166849 /nfs/dbraw/zinc/16/68/49/736166849.db2.gz SNMMTZKTAKQWMW-KMFMINBZSA-N 1 3 367.287 2.631 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cc(Cl)cc(Cl)c1F ZINC000904388729 736247848 /nfs/dbraw/zinc/24/78/48/736247848.db2.gz AHZRWXWIHCOJOH-WDEREUQCSA-N 1 3 362.276 2.980 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(F)(F)F)C3CC3)CC2)CC1 ZINC000908272119 736751076 /nfs/dbraw/zinc/75/10/76/736751076.db2.gz RWRMHMOAVDWLFJ-UHFFFAOYSA-N 1 3 361.452 2.736 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc3c1OCC3)C2 ZINC000922386242 738134735 /nfs/dbraw/zinc/13/47/35/738134735.db2.gz FIFNFTUDWXFNKV-LFGUQSLTSA-N 1 3 364.917 2.844 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(Cl)cc3c1OCC3)C2 ZINC000922386242 738134737 /nfs/dbraw/zinc/13/47/37/738134737.db2.gz FIFNFTUDWXFNKV-LFGUQSLTSA-N 1 3 364.917 2.844 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3F)C2)[C@H]1C(C)C ZINC000922394700 738136950 /nfs/dbraw/zinc/13/69/50/738136950.db2.gz RNZSOLXAUMODEN-SMOSDQRPSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3F)C2)[C@H]1C(C)C ZINC000922394700 738136954 /nfs/dbraw/zinc/13/69/54/738136954.db2.gz RNZSOLXAUMODEN-SMOSDQRPSA-N 1 3 350.478 2.794 20 0 FFADHO O[C@@H](CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(Cl)cc1Cl ZINC000923377293 738277347 /nfs/dbraw/zinc/27/73/47/738277347.db2.gz IHGKGHMYGKBVKW-PVAVHDDUSA-N 1 3 371.308 2.727 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCC(F)(F)F)CC2(C)C)CC[N@@H+]1C ZINC000940757336 740184136 /nfs/dbraw/zinc/18/41/36/740184136.db2.gz ZWCOEIXGMPNHDQ-ZNMIVQPWSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCC(F)(F)F)CC2(C)C)CC[N@H+]1C ZINC000940757336 740184139 /nfs/dbraw/zinc/18/41/39/740184139.db2.gz ZWCOEIXGMPNHDQ-ZNMIVQPWSA-N 1 3 363.468 2.886 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000796988718 740202643 /nfs/dbraw/zinc/20/26/43/740202643.db2.gz GTPOWMKMMFJUJF-MWDXBVQZSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000796988718 740202646 /nfs/dbraw/zinc/20/26/46/740202646.db2.gz GTPOWMKMMFJUJF-MWDXBVQZSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000796988718 740202647 /nfs/dbraw/zinc/20/26/47/740202647.db2.gz GTPOWMKMMFJUJF-MWDXBVQZSA-N 1 3 353.304 2.945 20 0 FFADHO C[C@H]1[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000806607618 741074329 /nfs/dbraw/zinc/07/43/29/741074329.db2.gz LNLQVLQLMGGXIC-FUHWJXTLSA-N 1 3 362.587 2.701 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC000998796503 742046171 /nfs/dbraw/zinc/04/61/71/742046171.db2.gz PDXBFXBTZIVJKM-BLYZHGLHSA-N 1 3 355.935 2.821 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3sccc3Cl)C2)CC[N@H+]1C ZINC000998796503 742046176 /nfs/dbraw/zinc/04/61/76/742046176.db2.gz PDXBFXBTZIVJKM-BLYZHGLHSA-N 1 3 355.935 2.821 20 0 FFADHO O[C@@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000817929415 742222826 /nfs/dbraw/zinc/22/28/26/742222826.db2.gz HFICEVHRTZKRIC-VQHPVUNQSA-N 1 3 353.304 2.993 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000819264755 742364073 /nfs/dbraw/zinc/36/40/73/742364073.db2.gz DEWUVFQMCUVICP-RHSMWYFYSA-N 1 3 360.420 2.829 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)c2cccc(C(F)(F)F)c2)CCCO1 ZINC000819264755 742364077 /nfs/dbraw/zinc/36/40/77/742364077.db2.gz DEWUVFQMCUVICP-RHSMWYFYSA-N 1 3 360.420 2.829 20 0 FFADHO Cc1csc(CN[C@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001029101501 742804722 /nfs/dbraw/zinc/80/47/22/742804722.db2.gz HDMVXXOTFJLKGH-BFYDXBDKSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1csc(CN[C@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001029101501 742804728 /nfs/dbraw/zinc/80/47/28/742804728.db2.gz HDMVXXOTFJLKGH-BFYDXBDKSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001045044682 743246833 /nfs/dbraw/zinc/24/68/33/743246833.db2.gz QRIKNBIASSDVBV-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccnc(Cl)c2)CC[N@H+]1C ZINC001045044682 743246837 /nfs/dbraw/zinc/24/68/37/743246837.db2.gz QRIKNBIASSDVBV-YESZJQIVSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCC(F)(F)F)CC[N@@H+]1C ZINC001049481735 743465844 /nfs/dbraw/zinc/46/58/44/743465844.db2.gz JHDFHTGNBDIOMH-JJXSEGSLSA-N 1 3 361.452 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCC(F)(F)F)CC[N@H+]1C ZINC001049481735 743465847 /nfs/dbraw/zinc/46/58/47/743465847.db2.gz JHDFHTGNBDIOMH-JJXSEGSLSA-N 1 3 361.452 2.734 20 0 FFADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000838186589 746591970 /nfs/dbraw/zinc/59/19/70/746591970.db2.gz OWGDITIHLOCBGX-SFHVURJKSA-N 1 3 355.523 2.851 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc(Cl)n1 ZINC000842515152 747624199 /nfs/dbraw/zinc/62/41/99/747624199.db2.gz UTKPEVDPBSCDHM-MAUKXSAKSA-N 1 3 364.921 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc(Cl)n1 ZINC000842515151 747624428 /nfs/dbraw/zinc/62/44/28/747624428.db2.gz UTKPEVDPBSCDHM-CRAIPNDOSA-N 1 3 364.921 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(Cl)n1 ZINC000844185495 747984356 /nfs/dbraw/zinc/98/43/56/747984356.db2.gz KOPQXNGOPKCXBT-UYTSQGDYSA-N 1 3 350.894 2.565 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(Cl)n1 ZINC000844185495 747984361 /nfs/dbraw/zinc/98/43/61/747984361.db2.gz KOPQXNGOPKCXBT-UYTSQGDYSA-N 1 3 350.894 2.565 20 0 FFADHO CC[C@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000849061084 749043529 /nfs/dbraw/zinc/04/35/29/749043529.db2.gz LSIWGMKXPVVQQM-QGZVFWFLSA-N 1 3 363.937 2.861 20 0 FFADHO CCc1cnc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)s1 ZINC000849088524 749048117 /nfs/dbraw/zinc/04/81/17/749048117.db2.gz NOXQMAAKELXUJO-UHFFFAOYSA-N 1 3 357.527 2.984 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000849092028 749048679 /nfs/dbraw/zinc/04/86/79/749048679.db2.gz YFBAHWXXPBIYCY-IAGOWNOFSA-N 1 3 351.926 2.541 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000853029526 749988818 /nfs/dbraw/zinc/98/88/18/749988818.db2.gz UXRDNGFNFRKRRC-LJQANCHMSA-N 1 3 360.571 2.599 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000853029526 749988822 /nfs/dbraw/zinc/98/88/22/749988822.db2.gz UXRDNGFNFRKRRC-LJQANCHMSA-N 1 3 360.571 2.599 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001104809646 970872300 /nfs/dbraw/zinc/87/23/00/970872300.db2.gz MLHPULHXERGDBU-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)CC[C@@H]2C1 ZINC001087909141 971071086 /nfs/dbraw/zinc/07/10/86/971071086.db2.gz ZQNBBLPTYKHNJC-HBFSDRIKSA-N 1 3 367.493 2.807 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc4ccccc4o3)CC[C@@H]2C1 ZINC001087909141 971071091 /nfs/dbraw/zinc/07/10/91/971071091.db2.gz ZQNBBLPTYKHNJC-HBFSDRIKSA-N 1 3 367.493 2.807 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@@H]3C2)cc1F ZINC001087909001 971071401 /nfs/dbraw/zinc/07/14/01/971071401.db2.gz VDDXUOYCIZNTSJ-HBFSDRIKSA-N 1 3 359.489 2.509 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@@H]3C2)cc1F ZINC001087909001 971071410 /nfs/dbraw/zinc/07/14/10/971071410.db2.gz VDDXUOYCIZNTSJ-HBFSDRIKSA-N 1 3 359.489 2.509 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001104936295 971183018 /nfs/dbraw/zinc/18/30/18/971183018.db2.gz NGAKXNOJSKIXEL-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC([NH2+]C4CCC4)CC3)C2)cc1 ZINC000896141664 971264655 /nfs/dbraw/zinc/26/46/55/971264655.db2.gz OTEQKICVVORLSL-OAQYLSRUSA-N 1 3 370.541 2.885 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)ccc2F)C1 ZINC001105064364 971438267 /nfs/dbraw/zinc/43/82/67/971438267.db2.gz LGEVXUSJJWVEKO-HZPDHXFCSA-N 1 3 367.484 2.879 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCOC)C1 ZINC001105067185 971444881 /nfs/dbraw/zinc/44/48/81/971444881.db2.gz QSAREFUKVUWAIZ-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001105067205 971445459 /nfs/dbraw/zinc/44/54/59/971445459.db2.gz RMGNVBISEKJGST-JFIYKMOQSA-N 1 3 364.559 2.592 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999215 971776375 /nfs/dbraw/zinc/77/63/75/971776375.db2.gz BBIHOEJUHOOIRN-HSALFYBXSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999215 971776378 /nfs/dbraw/zinc/77/63/78/971776378.db2.gz BBIHOEJUHOOIRN-HSALFYBXSA-N 1 3 370.541 2.545 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C2 ZINC000652117195 972154675 /nfs/dbraw/zinc/15/46/75/972154675.db2.gz ILAZVHMOVQEEMD-ZVDOUQERSA-N 1 3 356.514 2.594 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000652131909 972268108 /nfs/dbraw/zinc/26/81/08/972268108.db2.gz TXCRDYJCVCTDJL-IBGZPJMESA-N 1 3 370.472 2.748 20 0 FFADHO Cn1cc(N2CCC[C@H](N3CCC[C@H](C[C@H]([NH3+])C4CCCC4)C3)C2=O)cn1 ZINC000872156672 1013158338 /nfs/dbraw/zinc/15/83/38/1013158338.db2.gz LABWEYFVPBJSEN-UXPWSPDFSA-N 1 3 373.545 2.535 20 0 FFADHO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)CCCCCC[NH3+] ZINC000872155286 1013158942 /nfs/dbraw/zinc/15/89/42/1013158942.db2.gz QIPDHJVLTCEVPF-MRXNPFEDSA-N 1 3 360.502 2.591 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ncc(C)cc3C)CC2)CC1 ZINC000655247551 959636563 /nfs/dbraw/zinc/63/65/63/959636563.db2.gz GUUVOSCCKSIVTH-UHFFFAOYSA-N 1 3 372.557 2.553 20 0 FFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCCO1 ZINC000655349338 959788511 /nfs/dbraw/zinc/78/85/11/959788511.db2.gz PQKCZQYPZANHEY-VQTJNVASSA-N 1 3 365.562 2.647 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3n[nH]c(C(C)C)c3C)CC2)CC1 ZINC000655407697 959869325 /nfs/dbraw/zinc/86/93/25/959869325.db2.gz KPNXNZNCTQLZTQ-UHFFFAOYSA-N 1 3 361.534 2.976 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000652367757 960387897 /nfs/dbraw/zinc/38/78/97/960387897.db2.gz OEWXXXWTWNOMNA-GHTZIAJQSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000652367757 960387905 /nfs/dbraw/zinc/38/79/05/960387905.db2.gz OEWXXXWTWNOMNA-GHTZIAJQSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000313077790 972522353 /nfs/dbraw/zinc/52/23/53/972522353.db2.gz WMAOEIPKMSZESE-XLIONFOSSA-N 1 3 367.493 2.551 20 0 FFADHO CCCCNC(=O)c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655699854 961108924 /nfs/dbraw/zinc/10/89/24/961108924.db2.gz CIKLESDWWCBGLX-FQEVSTJZSA-N 1 3 359.514 2.559 20 0 FFADHO FC(F)(F)c1cccc(OCCNC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000655738239 961209725 /nfs/dbraw/zinc/20/97/25/961209725.db2.gz UQEJDUZNZYBQFK-HNNXBMFYSA-N 1 3 373.419 2.712 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655753126 961244011 /nfs/dbraw/zinc/24/40/11/961244011.db2.gz WAVBLOHTFAXHIS-VCOUNFBDSA-N 1 3 357.542 2.740 20 0 FFADHO COc1ccc(C(C)C)cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000655938120 961763783 /nfs/dbraw/zinc/76/37/83/961763783.db2.gz NIRRIDXDOOKMOX-PXNSSMCTSA-N 1 3 373.541 2.899 20 0 FFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c(C)s1 ZINC001095419202 1013323117 /nfs/dbraw/zinc/32/31/17/1013323117.db2.gz UBSAQEIHOFEHNW-ZRNYENFQSA-N 1 3 373.566 2.928 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001104291344 962337331 /nfs/dbraw/zinc/33/73/31/962337331.db2.gz MXZPLTMINFIXQP-XFQXTVEOSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001104291988 962346685 /nfs/dbraw/zinc/34/66/85/962346685.db2.gz DGRDDSVFCWVRAS-NSISKUIASA-N 1 3 361.574 2.981 20 0 FFADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000649368895 1013379724 /nfs/dbraw/zinc/37/97/24/1013379724.db2.gz PQHHOBWKYNDFOD-QUCCMNQESA-N 1 3 367.468 2.954 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000656380985 963471717 /nfs/dbraw/zinc/47/17/17/963471717.db2.gz NTGAQYFGTZMEFB-HXUWFJFHSA-N 1 3 372.557 2.944 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000656380985 963471721 /nfs/dbraw/zinc/47/17/21/963471721.db2.gz NTGAQYFGTZMEFB-HXUWFJFHSA-N 1 3 372.557 2.944 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)C12CCCC2 ZINC000873243484 1013442337 /nfs/dbraw/zinc/44/23/37/1013442337.db2.gz LVXQHZRFCSGFHD-RTBURBONSA-N 1 3 355.486 2.553 20 0 FFADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001269292886 964053535 /nfs/dbraw/zinc/05/35/35/964053535.db2.gz SQQXTODGHSDOJT-PKZMIXMFSA-N 1 3 355.526 2.879 20 0 FFADHO CC/C=C/CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001269292886 964053551 /nfs/dbraw/zinc/05/35/51/964053551.db2.gz SQQXTODGHSDOJT-PKZMIXMFSA-N 1 3 355.526 2.879 20 0 FFADHO CCO[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C)C1CC1 ZINC001104362642 964087219 /nfs/dbraw/zinc/08/72/19/964087219.db2.gz BBDMWLATUJXHAA-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCOCC2)C1 ZINC001104363085 964092594 /nfs/dbraw/zinc/09/25/94/964092594.db2.gz YKGRBUVZDPNEKH-IEBWSBKVSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@H](C)c3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001022107097 964302385 /nfs/dbraw/zinc/30/23/85/964302385.db2.gz SBCVOKPOLXAUJW-SHDVWELFSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@H](C)c3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001022107097 964302397 /nfs/dbraw/zinc/30/23/97/964302397.db2.gz SBCVOKPOLXAUJW-SHDVWELFSA-N 1 3 365.468 2.993 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@@H]2Cc3ccc(F)cc32)(N2CCCCC2)CC1 ZINC000684449684 964603413 /nfs/dbraw/zinc/60/34/13/964603413.db2.gz KYZVFINQYRCOIT-LJQANCHMSA-N 1 3 359.489 2.532 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000891703821 964903136 /nfs/dbraw/zinc/90/31/36/964903136.db2.gz ILBGXXLTNNLIHQ-KRWDZBQOSA-N 1 3 371.529 2.535 20 0 FFADHO Cc1ncccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001087175538 965102363 /nfs/dbraw/zinc/10/23/63/965102363.db2.gz SDTGTPFWKRHMHF-UZLBHIALSA-N 1 3 358.530 2.591 20 0 FFADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000892112162 965994055 /nfs/dbraw/zinc/99/40/55/965994055.db2.gz HGAOKCMCAOSKAI-LJQANCHMSA-N 1 3 356.514 2.533 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cnc4n3CCC4)CC2)c1 ZINC000657300564 965998661 /nfs/dbraw/zinc/99/86/61/965998661.db2.gz IGZORVHWKOSDET-UHFFFAOYSA-N 1 3 367.541 2.830 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC000657351315 966252476 /nfs/dbraw/zinc/25/24/76/966252476.db2.gz CBNHAFYERWBWID-UHFFFAOYSA-N 1 3 365.481 2.888 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCC[C@H]2C)sn1 ZINC001087212569 966576462 /nfs/dbraw/zinc/57/64/62/966576462.db2.gz HDGKOERXXWIPLD-OIISXLGYSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1scnc1C)N(C)C ZINC001087214813 966632821 /nfs/dbraw/zinc/63/28/21/966632821.db2.gz PBOZLULNTFICCW-KBMXLJTQSA-N 1 3 352.548 2.508 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC001176262734 1013672745 /nfs/dbraw/zinc/67/27/45/1013672745.db2.gz NMRJELVHBBGWPE-KIZRIRGWSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C[C@H](C)O1 ZINC001176262734 1013672747 /nfs/dbraw/zinc/67/27/47/1013672747.db2.gz NMRJELVHBBGWPE-KIZRIRGWSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001176262734 1013672748 /nfs/dbraw/zinc/67/27/48/1013672748.db2.gz NMRJELVHBBGWPE-KIZRIRGWSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001176262734 1013672750 /nfs/dbraw/zinc/67/27/50/1013672750.db2.gz NMRJELVHBBGWPE-KIZRIRGWSA-N 1 3 357.542 2.550 20 0 FFADHO CC(C)NC(=O)N1CCCC2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1 ZINC001279592532 966922985 /nfs/dbraw/zinc/92/29/85/966922985.db2.gz YIWKCQFHZDTJEI-UHFFFAOYSA-N 1 3 352.567 2.870 20 0 FFADHO COc1cc(C)c(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)n1 ZINC000657597562 966946193 /nfs/dbraw/zinc/94/61/93/966946193.db2.gz UTDCEFBGHSHMHM-IBGZPJMESA-N 1 3 355.482 2.563 20 0 FFADHO COc1cc(C)c(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)n1 ZINC000657597562 966946202 /nfs/dbraw/zinc/94/62/02/966946202.db2.gz UTDCEFBGHSHMHM-IBGZPJMESA-N 1 3 355.482 2.563 20 0 FFADHO CC(C)C(=O)N1CC[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@H]21 ZINC001167993700 967151250 /nfs/dbraw/zinc/15/12/50/967151250.db2.gz PDCKLUJNOWFSLD-XAAMQAMVSA-N 1 3 359.558 2.971 20 0 FFADHO CC(C)C(=O)N1CC[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@H]21 ZINC001167993700 967151259 /nfs/dbraw/zinc/15/12/59/967151259.db2.gz PDCKLUJNOWFSLD-XAAMQAMVSA-N 1 3 359.558 2.971 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[C@H]2CC[N@H+](C)C2)sn1 ZINC001087236381 967475562 /nfs/dbraw/zinc/47/55/62/967475562.db2.gz TWXUIOZVMYSJQI-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)C[C@H]2CC[N@@H+](C)C2)sn1 ZINC001087236381 967475568 /nfs/dbraw/zinc/47/55/68/967475568.db2.gz TWXUIOZVMYSJQI-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001023379244 967762651 /nfs/dbraw/zinc/76/26/51/967762651.db2.gz IWDIKUSSTFNTKN-ASPFYEGDSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C/C=C/c3ccccc3)C2)CC[N@H+]1C ZINC001023379244 967762653 /nfs/dbraw/zinc/76/26/53/967762653.db2.gz IWDIKUSSTFNTKN-ASPFYEGDSA-N 1 3 355.526 2.868 20 0 FFADHO COCCOCCOCCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168014140 968015854 /nfs/dbraw/zinc/01/58/54/968015854.db2.gz KJVNAZFCXQIRTN-OALUTQOASA-N 1 3 364.530 2.697 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cccnc3Cl)CC2)C1 ZINC001279668111 968173823 /nfs/dbraw/zinc/17/38/23/968173823.db2.gz VGAMPFLNMDBSPV-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cccnc3Cl)CC2)C1 ZINC001279668111 968173826 /nfs/dbraw/zinc/17/38/26/968173826.db2.gz VGAMPFLNMDBSPV-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@@H+]1CC=C(C)C ZINC001087601469 968319742 /nfs/dbraw/zinc/31/97/42/968319742.db2.gz SXUKKCHFJRVQEG-ZCNNSNEGSA-N 1 3 363.546 2.565 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CC[N@H+]1CC=C(C)C ZINC001087601469 968319748 /nfs/dbraw/zinc/31/97/48/968319748.db2.gz SXUKKCHFJRVQEG-ZCNNSNEGSA-N 1 3 363.546 2.565 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CO2 ZINC000658165577 968565743 /nfs/dbraw/zinc/56/57/43/968565743.db2.gz RWWICBZVAWVJOK-FQEVSTJZSA-N 1 3 367.493 2.896 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@@H+]1CC1CCOCC1 ZINC001087749583 968889651 /nfs/dbraw/zinc/88/96/51/968889651.db2.gz QHYNYYOINNUWPD-YZGWKJHDSA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@H+]1CC1CCOCC1 ZINC001087749583 968889663 /nfs/dbraw/zinc/88/96/63/968889663.db2.gz QHYNYYOINNUWPD-YZGWKJHDSA-N 1 3 365.562 2.647 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)Cc1ccccc1 ZINC000874433425 1013836100 /nfs/dbraw/zinc/83/61/00/1013836100.db2.gz YEADNCYUIWNRCP-GHTZIAJQSA-N 1 3 360.546 2.566 20 0 FFADHO C[C@@H]1CC([NH2+]C2CN(c3cnccn3)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168023096 969075979 /nfs/dbraw/zinc/07/59/79/969075979.db2.gz VHTQSCWGOYGZPJ-IAGOWNOFSA-N 1 3 351.498 2.696 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892496023 969151566 /nfs/dbraw/zinc/15/15/66/969151566.db2.gz ITICVQHGSDFSAI-GOSISDBHSA-N 1 3 364.509 2.677 20 0 FFADHO CCc1nnc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000892616127 969607078 /nfs/dbraw/zinc/60/70/78/969607078.db2.gz KDFXLLCNXPHDFD-UHFFFAOYSA-N 1 3 373.570 2.788 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659029171 969644104 /nfs/dbraw/zinc/64/41/04/969644104.db2.gz AUMAGMKFSWLTEK-PXNSSMCTSA-N 1 3 374.529 2.981 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659029171 969644108 /nfs/dbraw/zinc/64/41/08/969644108.db2.gz AUMAGMKFSWLTEK-PXNSSMCTSA-N 1 3 374.529 2.981 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659032505 969647632 /nfs/dbraw/zinc/64/76/32/969647632.db2.gz QXCGUTWMAUDHQU-HXUWFJFHSA-N 1 3 374.529 2.981 20 0 FFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)CNCCO4)cc21 ZINC000659313842 969827126 /nfs/dbraw/zinc/82/71/26/969827126.db2.gz RITXXBUFHFBBTQ-INIZCTEOSA-N 1 3 351.450 2.800 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659314519 969828321 /nfs/dbraw/zinc/82/83/21/969828321.db2.gz KOMAUQJNVXPVOQ-HXUWFJFHSA-N 1 3 350.466 2.649 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001104682099 970094805 /nfs/dbraw/zinc/09/48/05/970094805.db2.gz AYCAYBPZZSNFDB-QRVBRYPASA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)cc2)C1)N(C)C ZINC001104690256 970110327 /nfs/dbraw/zinc/11/03/27/970110327.db2.gz BBPMAOYECHHLBZ-POAQFYNOSA-N 1 3 361.530 2.610 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)s1 ZINC001104732099 970192338 /nfs/dbraw/zinc/19/23/38/970192338.db2.gz NWZCFZBDFTWUBU-CZUORRHYSA-N 1 3 360.527 2.905 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H](C)c4cccc(F)c4)C[C@H]32)CC[N@@H+]1C ZINC001025795127 970425502 /nfs/dbraw/zinc/42/55/02/970425502.db2.gz SBYOAYDNNRAVOP-GYDQMFFNSA-N 1 3 359.489 2.663 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H](C)c4cccc(F)c4)C[C@H]32)CC[N@H+]1C ZINC001025795127 970425508 /nfs/dbraw/zinc/42/55/08/970425508.db2.gz SBYOAYDNNRAVOP-GYDQMFFNSA-N 1 3 359.489 2.663 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1Cc1oc(C(C)C)nc1C ZINC001087829760 970479120 /nfs/dbraw/zinc/47/91/20/970479120.db2.gz UXCQXYVBKZZHRO-DLBZAZTESA-N 1 3 362.518 2.671 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001087829760 970479133 /nfs/dbraw/zinc/47/91/33/970479133.db2.gz UXCQXYVBKZZHRO-DLBZAZTESA-N 1 3 362.518 2.671 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001087829760 970479144 /nfs/dbraw/zinc/47/91/44/970479144.db2.gz UXCQXYVBKZZHRO-DLBZAZTESA-N 1 3 362.518 2.671 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)sc3C)CC[C@@H]2C1)N(C)C ZINC001088110012 972841122 /nfs/dbraw/zinc/84/11/22/972841122.db2.gz JACDJHKWHMTBRH-NEWSRXKRSA-N 1 3 363.571 2.985 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)sc3C)CC[C@@H]2C1)N(C)C ZINC001088110012 972841129 /nfs/dbraw/zinc/84/11/29/972841129.db2.gz JACDJHKWHMTBRH-NEWSRXKRSA-N 1 3 363.571 2.985 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c(C)c1 ZINC001088121443 972919277 /nfs/dbraw/zinc/91/92/77/972919277.db2.gz GWEXHRHCLSHIOA-MOPGFXCFSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)c(C)c1 ZINC001088121443 972919283 /nfs/dbraw/zinc/91/92/83/972919283.db2.gz GWEXHRHCLSHIOA-MOPGFXCFSA-N 1 3 352.482 2.550 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(Cl)cc4)C[C@H]3C2)C1 ZINC001088199810 973622649 /nfs/dbraw/zinc/62/26/49/973622649.db2.gz CYCIPXJTVQOSJI-SQNIBIBYSA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(Cl)cc4)C[C@H]3C2)C1 ZINC001088199810 973622658 /nfs/dbraw/zinc/62/26/58/973622658.db2.gz CYCIPXJTVQOSJI-SQNIBIBYSA-N 1 3 361.917 2.572 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000661193586 973841754 /nfs/dbraw/zinc/84/17/54/973841754.db2.gz SIRNSLZHDHNUDM-NZSAHSFTSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000661193586 973841763 /nfs/dbraw/zinc/84/17/63/973841763.db2.gz SIRNSLZHDHNUDM-NZSAHSFTSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C)([NH3+])CC2)N(C)C)cc1 ZINC000669586782 973997773 /nfs/dbraw/zinc/99/77/73/973997773.db2.gz XJVRJSQHAPTTJU-SFHVURJKSA-N 1 3 362.518 2.599 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2cccc(F)c2)CCC1 ZINC000665763882 974092918 /nfs/dbraw/zinc/09/29/18/974092918.db2.gz NZKAZUHIIUDVHJ-INIZCTEOSA-N 1 3 364.509 2.776 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2cccc(F)c2)CCC1 ZINC000665763882 974092924 /nfs/dbraw/zinc/09/29/24/974092924.db2.gz NZKAZUHIIUDVHJ-INIZCTEOSA-N 1 3 364.509 2.776 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000665762984 974099639 /nfs/dbraw/zinc/09/96/39/974099639.db2.gz WOQQZSWQJKNZBW-AZUAARDMSA-N 1 3 360.546 2.848 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000665762984 974099646 /nfs/dbraw/zinc/09/96/46/974099646.db2.gz WOQQZSWQJKNZBW-AZUAARDMSA-N 1 3 360.546 2.848 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000897320768 974230839 /nfs/dbraw/zinc/23/08/39/974230839.db2.gz DQKURNZDYFXLPF-OXJNMPFZSA-N 1 3 361.530 2.923 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000652179569 974682811 /nfs/dbraw/zinc/68/28/11/974682811.db2.gz RQUQCDQTNWCJSI-UWJYYQICSA-N 1 3 366.509 2.726 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290617 975406501 /nfs/dbraw/zinc/40/65/01/975406501.db2.gz GKUADWWRULVDQS-VQIMIIECSA-N 1 3 361.505 2.585 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662507779 975665075 /nfs/dbraw/zinc/66/50/75/975665075.db2.gz QZXKHABGZFPSIM-IERDGZPVSA-N 1 3 364.493 2.958 20 0 FFADHO Cc1ccn(-c2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2)n1 ZINC000667060144 975788537 /nfs/dbraw/zinc/78/85/37/975788537.db2.gz QJLYEIFOYAHSSE-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1ccn(-c2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2)n1 ZINC000667060144 975788549 /nfs/dbraw/zinc/78/85/49/975788549.db2.gz QJLYEIFOYAHSSE-KRWDZBQOSA-N 1 3 372.517 2.574 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001088792211 976306792 /nfs/dbraw/zinc/30/67/92/976306792.db2.gz AFYJPFFZMDZFMW-PMPSAXMXSA-N 1 3 357.489 2.875 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC001088792211 976306806 /nfs/dbraw/zinc/30/68/06/976306806.db2.gz AFYJPFFZMDZFMW-PMPSAXMXSA-N 1 3 357.489 2.875 20 0 FFADHO COc1nccc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898518721 976513727 /nfs/dbraw/zinc/51/37/27/976513727.db2.gz KCRPUJCBQAGQDD-QYZOEREBSA-N 1 3 352.482 2.876 20 0 FFADHO COc1nccc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898518721 976513737 /nfs/dbraw/zinc/51/37/37/976513737.db2.gz KCRPUJCBQAGQDD-QYZOEREBSA-N 1 3 352.482 2.876 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ncccc2C)CC3)CC[N@@H+]1C ZINC000990759564 976931322 /nfs/dbraw/zinc/93/13/22/976931322.db2.gz DABUVIDWWICKCM-RJJVWVDVSA-N 1 3 370.541 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ncccc2C)CC3)CC[N@H+]1C ZINC000990759564 976931334 /nfs/dbraw/zinc/93/13/34/976931334.db2.gz DABUVIDWWICKCM-RJJVWVDVSA-N 1 3 370.541 2.734 20 0 FFADHO COc1ccc([C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000876710144 1014358947 /nfs/dbraw/zinc/35/89/47/1014358947.db2.gz FGZLAZFKLFBBBQ-CVEMATEFSA-N 1 3 357.498 2.504 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667795528 977046869 /nfs/dbraw/zinc/04/68/69/977046869.db2.gz GEZOSKNPPHTYRV-LJQANCHMSA-N 1 3 371.529 2.894 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667795528 977046879 /nfs/dbraw/zinc/04/68/79/977046879.db2.gz GEZOSKNPPHTYRV-LJQANCHMSA-N 1 3 371.529 2.894 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1 ZINC000667795841 977054966 /nfs/dbraw/zinc/05/49/66/977054966.db2.gz RTJFPMLLAMESRX-OAHLLOKOSA-N 1 3 367.497 2.978 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667800246 977061838 /nfs/dbraw/zinc/06/18/38/977061838.db2.gz AXDBHAFYSVVEBC-UHFFFAOYSA-N 1 3 367.497 2.759 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667800246 977061846 /nfs/dbraw/zinc/06/18/46/977061846.db2.gz AXDBHAFYSVVEBC-UHFFFAOYSA-N 1 3 367.497 2.759 20 0 FFADHO CCCN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(C)C1 ZINC000645132027 977815881 /nfs/dbraw/zinc/81/58/81/977815881.db2.gz KVHZLHAKDWOYBW-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001028552943 978043063 /nfs/dbraw/zinc/04/30/63/978043063.db2.gz WKTANOFVUIFLLH-XKGZKEIXSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001028552943 978043075 /nfs/dbraw/zinc/04/30/75/978043075.db2.gz WKTANOFVUIFLLH-XKGZKEIXSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000653971903 1014510102 /nfs/dbraw/zinc/51/01/02/1014510102.db2.gz SQLGOTUOYSBECA-LJQANCHMSA-N 1 3 366.509 2.888 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001075876169 979370119 /nfs/dbraw/zinc/37/01/19/979370119.db2.gz MCNXYYZCZPPWPL-PWRODBHTSA-N 1 3 355.526 2.697 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001075876169 979370130 /nfs/dbraw/zinc/37/01/30/979370130.db2.gz MCNXYYZCZPPWPL-PWRODBHTSA-N 1 3 355.526 2.697 20 0 FFADHO C[NH+](C)CCc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000668111700 979749433 /nfs/dbraw/zinc/74/94/33/979749433.db2.gz VDJNEIVARUZORE-CVEARBPZSA-N 1 3 374.403 2.713 20 0 FFADHO CCN(C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)[C@H]1CCN(C)C1 ZINC000666045718 979889096 /nfs/dbraw/zinc/88/90/96/979889096.db2.gz QLAGTEIJABIUJB-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO CCN(C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)[C@@H]1CCN(C)C1 ZINC000666045717 979889506 /nfs/dbraw/zinc/88/95/06/979889506.db2.gz QLAGTEIJABIUJB-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3c(C4CCC4)cnn3C)CC2)CC1 ZINC000668244654 979963276 /nfs/dbraw/zinc/96/32/76/979963276.db2.gz HHXKTZFBKVSKRU-UHFFFAOYSA-N 1 3 359.562 2.680 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3c(C4CCC4)cnn3C)CC2)CC1 ZINC000668244654 979963285 /nfs/dbraw/zinc/96/32/85/979963285.db2.gz HHXKTZFBKVSKRU-UHFFFAOYSA-N 1 3 359.562 2.680 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3c(C4CCC4)cnn3C)CC2)CC1 ZINC000668244654 979963289 /nfs/dbraw/zinc/96/32/89/979963289.db2.gz HHXKTZFBKVSKRU-UHFFFAOYSA-N 1 3 359.562 2.680 20 0 FFADHO Cc1ccc(NC(=O)NC[C@H]2CCN2C(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000666138755 980336027 /nfs/dbraw/zinc/33/60/27/980336027.db2.gz ZJGXZKBQFGKMRF-MRXNPFEDSA-N 1 3 362.518 2.930 20 0 FFADHO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000905263262 980408253 /nfs/dbraw/zinc/40/82/53/980408253.db2.gz LUUBXRBNKFFGIQ-NHCUHLMSSA-N 1 3 360.542 2.934 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000666624519 981076576 /nfs/dbraw/zinc/07/65/76/981076576.db2.gz JNRDZTXXERZDBB-FUHWJXTLSA-N 1 3 354.498 2.545 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)C1 ZINC000666624519 981076580 /nfs/dbraw/zinc/07/65/80/981076580.db2.gz JNRDZTXXERZDBB-FUHWJXTLSA-N 1 3 354.498 2.545 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000668562648 981105599 /nfs/dbraw/zinc/10/55/99/981105599.db2.gz KGKDEPXTMWBCSQ-HSALFYBXSA-N 1 3 358.530 2.711 20 0 FFADHO CC[C@@H]1CN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC[C@@H]1[NH3+] ZINC000666676676 981206808 /nfs/dbraw/zinc/20/68/08/981206808.db2.gz UHHHQUCOGQGDIK-MJGOQNOKSA-N 1 3 373.545 2.728 20 0 FFADHO CN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000668599483 981233310 /nfs/dbraw/zinc/23/33/10/981233310.db2.gz UVAOLQWIHLURBG-CTNGQTDRSA-N 1 3 355.526 2.636 20 0 FFADHO CN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000668599483 981233315 /nfs/dbraw/zinc/23/33/15/981233315.db2.gz UVAOLQWIHLURBG-CTNGQTDRSA-N 1 3 355.526 2.636 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907871003 981320364 /nfs/dbraw/zinc/32/03/64/981320364.db2.gz FSEMFUQVULOHTO-XGHPGWEVSA-N 1 3 373.463 2.925 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000907871003 981320368 /nfs/dbraw/zinc/32/03/68/981320368.db2.gz FSEMFUQVULOHTO-XGHPGWEVSA-N 1 3 373.463 2.925 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000668665725 981383864 /nfs/dbraw/zinc/38/38/64/981383864.db2.gz NEMYCEYNNYDHFQ-QHAWAJNXSA-N 1 3 370.541 2.682 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCOCC2)[C@@H]1C ZINC001088605565 981422382 /nfs/dbraw/zinc/42/23/82/981422382.db2.gz WQEMJDJGYIDPGX-YZGWKJHDSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCOCC2)[C@@H]1C ZINC001088605565 981422384 /nfs/dbraw/zinc/42/23/84/981422384.db2.gz WQEMJDJGYIDPGX-YZGWKJHDSA-N 1 3 365.562 2.647 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H]1c1ccccc1 ZINC000654509797 1014741004 /nfs/dbraw/zinc/74/10/04/1014741004.db2.gz NONDYRMCJIBXLD-IYWMVGAKSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@H]1c1ccccc1 ZINC000654509797 1014741014 /nfs/dbraw/zinc/74/10/14/1014741014.db2.gz NONDYRMCJIBXLD-IYWMVGAKSA-N 1 3 356.514 2.748 20 0 FFADHO CN(C(=S)NCC1CC[NH+](C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000760488693 982430851 /nfs/dbraw/zinc/43/08/51/982430851.db2.gz YJAPRPINRIKZEB-UHFFFAOYSA-N 1 3 374.598 2.799 20 0 FFADHO C[NH+]1CCC(NC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000878182269 1014903174 /nfs/dbraw/zinc/90/31/74/1014903174.db2.gz FILPNPADPFQWNX-NHCUHLMSSA-N 1 3 373.541 2.565 20 0 FFADHO CCc1cccc(CN2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)c1 ZINC001088702670 983019614 /nfs/dbraw/zinc/01/96/14/983019614.db2.gz BZBUEGXJMSJCQF-XLIONFOSSA-N 1 3 355.526 2.956 20 0 FFADHO [NH2+]=C(NCCCN1CCc2ccccc2C1)N[C@H]1CCOc2ccccc21 ZINC000083031618 984043829 /nfs/dbraw/zinc/04/38/29/984043829.db2.gz CYPNMBYWSBZUMO-FQEVSTJZSA-N 1 3 364.493 2.863 20 0 FFADHO C[C@@H]1CN(Cc2ccc(O)cc2I)CCC[C@@H]1C[NH3+] ZINC001206011148 1032108396 /nfs/dbraw/zinc/10/83/96/1032108396.db2.gz AGJQHSLNNWJALB-VXGBXAGGSA-N 1 3 374.266 2.804 20 0 FFADHO O=c1ccc2c(n1CC1CC1)CC[N@@H+](C1CCN(CC3CC3)CC1)CC2 ZINC001168378594 984339187 /nfs/dbraw/zinc/33/91/87/984339187.db2.gz XWHBUPOJWCJZCJ-UHFFFAOYSA-N 1 3 355.526 2.533 20 0 FFADHO O=c1ccc2c(n1CC1CC1)CC[N@H+](C1CCN(CC3CC3)CC1)CC2 ZINC001168378594 984339189 /nfs/dbraw/zinc/33/91/89/984339189.db2.gz XWHBUPOJWCJZCJ-UHFFFAOYSA-N 1 3 355.526 2.533 20 0 FFADHO Fc1cccc(O[C@H]2C[C@@H]3CN(C4CC[NH+](CC5CC5)CC4)CCN3C2)c1 ZINC001168380891 984375072 /nfs/dbraw/zinc/37/50/72/984375072.db2.gz VDJPJCPKWYVZIB-IRLDBZIGSA-N 1 3 373.516 2.837 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCOCC1)CC2)N(C)C ZINC001107451623 984555482 /nfs/dbraw/zinc/55/54/82/984555482.db2.gz YXHZEYJYHVFTNF-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCOCC1)CC2)N(C)C ZINC001107451623 984555486 /nfs/dbraw/zinc/55/54/86/984555486.db2.gz YXHZEYJYHVFTNF-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H]1CCCCO1)CC2 ZINC001107454907 984560224 /nfs/dbraw/zinc/56/02/24/984560224.db2.gz PMPUMYINDVSPMD-WAOWUJCRSA-N 1 3 365.562 2.647 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC001107454907 984560226 /nfs/dbraw/zinc/56/02/26/984560226.db2.gz PMPUMYINDVSPMD-WAOWUJCRSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000669474148 984631355 /nfs/dbraw/zinc/63/13/55/984631355.db2.gz HEPJDRFKOXWYOI-HLAWJBBLSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1cc(CN2CC[C@@]3(CNC(=O)CCC[NH+](C)C)CCC[C@@H]23)sn1 ZINC001107524309 984634543 /nfs/dbraw/zinc/63/45/43/984634543.db2.gz RZLHYDAQCJNWGP-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccccc1 ZINC000669545933 984760424 /nfs/dbraw/zinc/76/04/24/984760424.db2.gz ZNGOHMIXOCFZKG-VQTJNVASSA-N 1 3 350.466 2.534 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2 ZINC001107621740 984875279 /nfs/dbraw/zinc/87/52/79/984875279.db2.gz VDMDMWUZMZKDOS-IEBWSBKVSA-N 1 3 350.482 2.761 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2 ZINC001107621740 984875299 /nfs/dbraw/zinc/87/52/99/984875299.db2.gz VDMDMWUZMZKDOS-IEBWSBKVSA-N 1 3 350.482 2.761 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646883 984938624 /nfs/dbraw/zinc/93/86/24/984938624.db2.gz ZYNRTBGZVDKYNI-UYAOXDASSA-N 1 3 353.551 2.503 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646883 984938631 /nfs/dbraw/zinc/93/86/31/984938631.db2.gz ZYNRTBGZVDKYNI-UYAOXDASSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ccc(CF)cc1 ZINC001088899336 985386628 /nfs/dbraw/zinc/38/66/28/985386628.db2.gz ZGIZPAQISDEGGE-UZLBHIALSA-N 1 3 361.505 2.967 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001089038270 986056534 /nfs/dbraw/zinc/05/65/34/986056534.db2.gz MAUIOZHSOJKNIW-XLIONFOSSA-N 1 3 358.530 2.688 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001089038270 986056543 /nfs/dbraw/zinc/05/65/43/986056543.db2.gz MAUIOZHSOJKNIW-XLIONFOSSA-N 1 3 358.530 2.688 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(CCCOc3ccccc3)CC2)CC[N@@H+]1C ZINC001486509294 987319424 /nfs/dbraw/zinc/31/94/24/987319424.db2.gz JTZFZCBDZZLNFT-WIYYLYMNSA-N 1 3 371.525 2.544 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN(CCCOc3ccccc3)CC2)CC[N@H+]1C ZINC001486509294 987319429 /nfs/dbraw/zinc/31/94/29/987319429.db2.gz JTZFZCBDZZLNFT-WIYYLYMNSA-N 1 3 371.525 2.544 20 0 FFADHO COC(=O)COc1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000922075384 987620761 /nfs/dbraw/zinc/62/07/61/987620761.db2.gz BNCUNEYGDAHDQO-LJQANCHMSA-N 1 3 368.477 2.850 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106211102 987671214 /nfs/dbraw/zinc/67/12/14/987671214.db2.gz QSBRRVJAUWBUCX-HXISBXOFSA-N 1 3 362.345 2.864 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106211102 987671216 /nfs/dbraw/zinc/67/12/16/987671216.db2.gz QSBRRVJAUWBUCX-HXISBXOFSA-N 1 3 362.345 2.864 20 0 FFADHO CO[C@@H]1CN(CCCC(C)C)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212495328 987759047 /nfs/dbraw/zinc/75/90/47/987759047.db2.gz BXYIRQRQWPCFHJ-RTBURBONSA-N 1 3 367.578 2.891 20 0 FFADHO CO[C@@H]1CN(CCCC(C)C)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212495328 987759050 /nfs/dbraw/zinc/75/90/50/987759050.db2.gz BXYIRQRQWPCFHJ-RTBURBONSA-N 1 3 367.578 2.891 20 0 FFADHO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C12CCC2 ZINC000453141946 987767346 /nfs/dbraw/zinc/76/73/46/987767346.db2.gz JXJBEHFISHUAKY-UXHICEINSA-N 1 3 371.525 2.559 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000673142686 987827025 /nfs/dbraw/zinc/82/70/25/987827025.db2.gz PSPHOLBMZAPPPI-SJLPKXTDSA-N 1 3 371.485 2.636 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCc2cccc(F)c2)[C@H](C)C1)N(C)C ZINC001106312392 987945730 /nfs/dbraw/zinc/94/57/30/987945730.db2.gz FEKJFCGDLWYAHO-YVWKXTFCSA-N 1 3 363.521 2.783 20 0 FFADHO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001168484692 988049240 /nfs/dbraw/zinc/04/92/40/988049240.db2.gz GQOWSDCCPPHLTE-QGZVFWFLSA-N 1 3 371.500 2.581 20 0 FFADHO C[C@H](Cc1cccc(F)c1)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001168484692 988049250 /nfs/dbraw/zinc/04/92/50/988049250.db2.gz GQOWSDCCPPHLTE-QGZVFWFLSA-N 1 3 371.500 2.581 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC000922386646 988543758 /nfs/dbraw/zinc/54/37/58/988543758.db2.gz HTJRHXIBDXOFAQ-BNDYYXHWSA-N 1 3 354.498 2.646 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1c[nH]c(-c3ccccc3)n1)C2 ZINC000922386646 988543763 /nfs/dbraw/zinc/54/37/63/988543763.db2.gz HTJRHXIBDXOFAQ-BNDYYXHWSA-N 1 3 354.498 2.646 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3OC)C2)[C@H]1C(C)C ZINC000922392286 988551402 /nfs/dbraw/zinc/55/14/02/988551402.db2.gz KUNNOTUZIWSNLR-UKAVVXHISA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)cc3OC)C2)[C@H]1C(C)C ZINC000922392286 988551411 /nfs/dbraw/zinc/55/14/11/988551411.db2.gz KUNNOTUZIWSNLR-UKAVVXHISA-N 1 3 362.514 2.663 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001106663069 988599192 /nfs/dbraw/zinc/59/91/92/988599192.db2.gz QGGJAJSJLRDBPL-BTGZMJKFSA-N 1 3 355.526 2.868 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](CNCc2ncc(C)s2)[C@H](C)C1)[NH+](CC)CC ZINC001106660304 988604250 /nfs/dbraw/zinc/60/42/50/988604250.db2.gz JCYLSAIECWVJLF-OIISXLGYSA-N 1 3 366.575 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCc1cccs1 ZINC001106668224 988615229 /nfs/dbraw/zinc/61/52/29/988615229.db2.gz IONUYIOJVSUHRA-IAGOWNOFSA-N 1 3 363.571 2.707 20 0 FFADHO Cc1cc(CN2CC[C@@H](C3C[NH2+]C3)C2)cc(C)c1I ZINC001235340201 988741553 /nfs/dbraw/zinc/74/15/53/988741553.db2.gz INUAZHCPFKPHBE-CQSZACIVSA-N 1 3 370.278 2.949 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001033097112 988792244 /nfs/dbraw/zinc/79/22/44/988792244.db2.gz WEVXLJMRZUTGDO-BHIFYINESA-N 1 3 369.553 2.938 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001033097112 988792256 /nfs/dbraw/zinc/79/22/56/988792256.db2.gz WEVXLJMRZUTGDO-BHIFYINESA-N 1 3 369.553 2.938 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000915681453 988849892 /nfs/dbraw/zinc/84/98/92/988849892.db2.gz WBWDZSRDSRVFNZ-ICSRJNTNSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000915681453 988849904 /nfs/dbraw/zinc/84/99/04/988849904.db2.gz WBWDZSRDSRVFNZ-ICSRJNTNSA-N 1 3 371.529 2.577 20 0 FFADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)O2 ZINC000922793394 988909729 /nfs/dbraw/zinc/90/97/29/988909729.db2.gz DJTUCTQAKMEPQS-IDIYDEFCSA-N 1 3 364.530 2.872 20 0 FFADHO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CN[C@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000922793394 988909742 /nfs/dbraw/zinc/90/97/42/988909742.db2.gz DJTUCTQAKMEPQS-IDIYDEFCSA-N 1 3 364.530 2.872 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](CC)OC)[C@H](C)C1 ZINC001106775578 989018831 /nfs/dbraw/zinc/01/88/31/989018831.db2.gz QYBJBBTYHRUBEO-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC001106779555 989026906 /nfs/dbraw/zinc/02/69/06/989026906.db2.gz ROYWSQKPAOKFII-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc3cccnc32)[C@H](C)C1 ZINC001106779374 989034107 /nfs/dbraw/zinc/03/41/07/989034107.db2.gz LUGWAPGAZLIHDW-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC001106783367 989042953 /nfs/dbraw/zinc/04/29/53/989042953.db2.gz OKHBMUYFQPQHKS-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCC1 ZINC000673768100 989251362 /nfs/dbraw/zinc/25/13/62/989251362.db2.gz ATSKVEBHXDCAIV-LJQANCHMSA-N 1 3 358.530 2.778 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652278617 1015516826 /nfs/dbraw/zinc/51/68/26/1015516826.db2.gz VXHCFEKYFLBVJH-UHFFFAOYSA-N 1 3 364.509 2.938 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652281672 1015517658 /nfs/dbraw/zinc/51/76/58/1015517658.db2.gz JPZNJTBRGUJGJV-UHFFFAOYSA-N 1 3 358.461 2.558 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccc(COC)o3)cc2)CC1 ZINC000125568413 989956168 /nfs/dbraw/zinc/95/61/68/989956168.db2.gz FFUSBAABCUNZAN-UHFFFAOYSA-N 1 3 357.498 2.853 20 0 FFADHO COc1cccc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001034215059 989971579 /nfs/dbraw/zinc/97/15/79/989971579.db2.gz VNLKKJFTQYGZGC-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO COc1cccc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001034215059 989971585 /nfs/dbraw/zinc/97/15/85/989971585.db2.gz VNLKKJFTQYGZGC-IMFGXOCKSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000675177031 990094705 /nfs/dbraw/zinc/09/47/05/990094705.db2.gz HGOPDBFNUBFCLI-WOJBJXKFSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000675178675 990096107 /nfs/dbraw/zinc/09/61/07/990096107.db2.gz UQCGMPATFDIIMW-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000675182912 990105180 /nfs/dbraw/zinc/10/51/80/990105180.db2.gz YXKGMZWMAIHHNC-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000918122909 990339850 /nfs/dbraw/zinc/33/98/50/990339850.db2.gz VVAOVCCMWROCLX-WIYYLYMNSA-N 1 3 372.557 2.997 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3C(C)C)cc2)CC1 ZINC000920419192 990846724 /nfs/dbraw/zinc/84/67/24/990846724.db2.gz UDIFYINVYOHDEQ-HXUWFJFHSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3C(C)C)cc2)CC1 ZINC000920419192 990846732 /nfs/dbraw/zinc/84/67/32/990846732.db2.gz UDIFYINVYOHDEQ-HXUWFJFHSA-N 1 3 358.530 2.887 20 0 FFADHO CCC[C@H](NC(=O)[C@@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923456906 991152364 /nfs/dbraw/zinc/15/23/64/991152364.db2.gz RNJDAWQXOKBRJS-HOJAQTOUSA-N 1 3 373.541 2.862 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cncc(OCc3ccccc3)c1)CC2 ZINC000923452227 991156362 /nfs/dbraw/zinc/15/63/62/991156362.db2.gz PKUSWYMAEGKMJR-OAQYLSRUSA-N 1 3 367.493 2.990 20 0 FFADHO [NH3+]CC[C@H]1CCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000923492468 991186701 /nfs/dbraw/zinc/18/67/01/991186701.db2.gz PDJLYKVIROTONR-IBGZPJMESA-N 1 3 367.493 2.553 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC001127701487 992282639 /nfs/dbraw/zinc/28/26/39/992282639.db2.gz QEMWRLUHRTTZGC-JKSUJKDBSA-N 1 3 358.313 2.930 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC001127701487 992282648 /nfs/dbraw/zinc/28/26/48/992282648.db2.gz QEMWRLUHRTTZGC-JKSUJKDBSA-N 1 3 358.313 2.930 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(CF)cc3)C[C@H]2C)CC[N@@H+]1C ZINC001079730814 992369354 /nfs/dbraw/zinc/36/93/54/992369354.db2.gz PZZKRHXTMRUDCV-XWPNQZOQSA-N 1 3 361.505 2.823 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(CF)cc3)C[C@H]2C)CC[N@H+]1C ZINC001079730814 992369362 /nfs/dbraw/zinc/36/93/62/992369362.db2.gz PZZKRHXTMRUDCV-XWPNQZOQSA-N 1 3 361.505 2.823 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188761 992807080 /nfs/dbraw/zinc/80/70/80/992807080.db2.gz RWAFCTZAZGOBST-QIJUGHKUSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188761 992807085 /nfs/dbraw/zinc/80/70/85/992807085.db2.gz RWAFCTZAZGOBST-QIJUGHKUSA-N 1 3 369.553 2.930 20 0 FFADHO CC(C)(O)[C@H]1CCN(CC(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c2ccccc2)C1 ZINC000880151074 1015768427 /nfs/dbraw/zinc/76/84/27/1015768427.db2.gz XIEMYBTUKCXHKQ-SFTDATJTSA-N 1 3 374.569 2.956 20 0 FFADHO CC(C)(O)[C@H]1CCN(CC(C[N@H+]2CC[C@H](C(C)(C)O)C2)c2ccccc2)C1 ZINC000880151074 1015768433 /nfs/dbraw/zinc/76/84/33/1015768433.db2.gz XIEMYBTUKCXHKQ-SFTDATJTSA-N 1 3 374.569 2.956 20 0 FFADHO COc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001107042570 993296162 /nfs/dbraw/zinc/29/61/62/993296162.db2.gz SGOSYHDSBJKQNV-ZIFCJYIRSA-N 1 3 361.530 2.781 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783075 993336254 /nfs/dbraw/zinc/33/62/54/993336254.db2.gz JKNUYEYDTMDTQP-QGPMSJSTSA-N 1 3 365.468 2.903 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783075 993336257 /nfs/dbraw/zinc/33/62/57/993336257.db2.gz JKNUYEYDTMDTQP-QGPMSJSTSA-N 1 3 365.468 2.903 20 0 FFADHO C[C@@H]1CN(CCCc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080934748 993489828 /nfs/dbraw/zinc/48/98/28/993489828.db2.gz AFOQVXVCTNWHBZ-SZVBFZGTSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1CN(CCCc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080934748 993489830 /nfs/dbraw/zinc/48/98/30/993489830.db2.gz AFOQVXVCTNWHBZ-SZVBFZGTSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@H]1CN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC000880258162 1015791926 /nfs/dbraw/zinc/79/19/26/1015791926.db2.gz DKNNRTPNQJDVIS-ROUUACIJSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001081179752 993739904 /nfs/dbraw/zinc/73/99/04/993739904.db2.gz IRMXGFGVXYHTTG-JRGCBEDISA-N 1 3 355.526 2.713 20 0 FFADHO CCN1CC[C@H](C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000809607372 994547522 /nfs/dbraw/zinc/54/75/22/994547522.db2.gz YAOBMSSCHCNIQY-HXUWFJFHSA-N 1 3 359.514 2.967 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCc1cccs1 ZINC001082512148 994759515 /nfs/dbraw/zinc/75/95/15/994759515.db2.gz NEDZPKBEIWANFB-SJLPKXTDSA-N 1 3 363.571 2.992 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1cc2ccccc2o1 ZINC001082520667 994812649 /nfs/dbraw/zinc/81/26/49/994812649.db2.gz LYCCNTDEKBTXGX-OHDICMOHSA-N 1 3 355.482 2.710 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1cc2ccccc2o1 ZINC001082520667 994812661 /nfs/dbraw/zinc/81/26/61/994812661.db2.gz LYCCNTDEKBTXGX-OHDICMOHSA-N 1 3 355.482 2.710 20 0 FFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559486 994933830 /nfs/dbraw/zinc/93/38/30/994933830.db2.gz GTWSSAGXVKIQMS-NIKGAXFTSA-N 1 3 363.933 2.925 20 0 FFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001082559393 994934496 /nfs/dbraw/zinc/93/44/96/994934496.db2.gz DHUSHQYRRMIVRH-MAODMQOUSA-N 1 3 357.542 2.916 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC001082561896 994945154 /nfs/dbraw/zinc/94/51/54/994945154.db2.gz YIFYSGLFJRQTMY-JSNMRZPZSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccc(Cl)nc1 ZINC001082570151 994965971 /nfs/dbraw/zinc/96/59/71/994965971.db2.gz AIFWXGPESFVRNF-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCc1ccc(Cl)nc1 ZINC001082570151 994965978 /nfs/dbraw/zinc/96/59/78/994965978.db2.gz AIFWXGPESFVRNF-DJIMGWMZSA-N 1 3 364.921 2.546 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001082575202 994995743 /nfs/dbraw/zinc/99/57/43/994995743.db2.gz QMTBIYFMMMKOAN-OLMNPRSZSA-N 1 3 351.922 2.863 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1)N(C)C ZINC001082575236 994998044 /nfs/dbraw/zinc/99/80/44/994998044.db2.gz RXHIRESZNHTQRJ-ZMYBRWDISA-N 1 3 367.484 2.530 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001086695609 995156094 /nfs/dbraw/zinc/15/60/94/995156094.db2.gz YOZZXYJBVWEDLP-SXLOBPIMSA-N 1 3 358.530 2.637 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCc1cnc(Cl)s1 ZINC001082681782 995268243 /nfs/dbraw/zinc/26/82/43/995268243.db2.gz SQPYUAGTTIUURH-TZMCWYRMSA-N 1 3 370.950 2.607 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3cnc(C)s3)C2)C1 ZINC001082698446 995292949 /nfs/dbraw/zinc/29/29/49/995292949.db2.gz HSKVWQUWFYGXJO-UWWQBHOKSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3cnc(C)s3)C2)C1 ZINC001082698446 995292957 /nfs/dbraw/zinc/29/29/57/995292957.db2.gz HSKVWQUWFYGXJO-UWWQBHOKSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1ccc(F)cc1F ZINC001082720035 995350727 /nfs/dbraw/zinc/35/07/27/995350727.db2.gz CLDOSCIJJHTDSI-BIENJYKASA-N 1 3 365.468 2.804 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC001082740689 995394937 /nfs/dbraw/zinc/39/49/37/995394937.db2.gz COIVVIDKTOBQJP-HLLBOEOZSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC001082741172 995395449 /nfs/dbraw/zinc/39/54/49/995395449.db2.gz RIAHZIQLYHNVPB-JTDSTZFVSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCc3ccccc3Cl)C2)C1 ZINC001082742493 995399752 /nfs/dbraw/zinc/39/97/52/995399752.db2.gz HLPUGCQNMGGOSJ-GPMSIDNRSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]Cc1ccsc1 ZINC001082743384 995401870 /nfs/dbraw/zinc/40/18/70/995401870.db2.gz XMECZEBDYDDVQO-IDHHARJASA-N 1 3 367.534 2.897 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001082743954 995403570 /nfs/dbraw/zinc/40/35/70/995403570.db2.gz KZEMCUACFXBODM-BRWVUGGUSA-N 1 3 371.516 2.980 20 0 FFADHO Fc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1OC(F)F ZINC000903506718 1015943813 /nfs/dbraw/zinc/94/38/13/1015943813.db2.gz XBXWIZAODUELPM-IYBDPMFKSA-N 1 3 369.431 2.828 20 0 FFADHO COC(OC)c1c(C[NH3+])ccnc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170680196 995464211 /nfs/dbraw/zinc/46/42/11/995464211.db2.gz PGCOWRQRZSBDCM-ZDUSSCGKSA-N 1 3 367.453 2.704 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C)C(C3CC3)C3CC3)cc2)CC1 ZINC000747836882 995614010 /nfs/dbraw/zinc/61/40/10/995614010.db2.gz WNTNBQRRDCFZPN-UHFFFAOYSA-N 1 3 370.541 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C)C(C3CC3)C3CC3)cc2)CC1 ZINC000747836882 995614014 /nfs/dbraw/zinc/61/40/14/995614014.db2.gz WNTNBQRRDCFZPN-UHFFFAOYSA-N 1 3 370.541 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000727222572 995723103 /nfs/dbraw/zinc/72/31/03/995723103.db2.gz GDFMLDIMDFPIHI-HXUWFJFHSA-N 1 3 371.529 2.531 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001082940613 995866183 /nfs/dbraw/zinc/86/61/83/995866183.db2.gz HLMZNLXUYCLKNU-JLTOFOAXSA-N 1 3 370.497 2.603 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1C ZINC001084349460 996476610 /nfs/dbraw/zinc/47/66/10/996476610.db2.gz MXLBFVVHGKJKNP-BHIFYINESA-N 1 3 367.537 2.678 20 0 FFADHO CCOC(=O)N1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000824187141 996808171 /nfs/dbraw/zinc/80/81/71/996808171.db2.gz DDXKYMSVMYXBII-PXNSSMCTSA-N 1 3 359.514 2.902 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000824645510 997026580 /nfs/dbraw/zinc/02/65/80/997026580.db2.gz LEOQHUNUYSYWRZ-OAHLLOKOSA-N 1 3 357.458 2.614 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000824645510 997026591 /nfs/dbraw/zinc/02/65/91/997026591.db2.gz LEOQHUNUYSYWRZ-OAHLLOKOSA-N 1 3 357.458 2.614 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000824645510 997026601 /nfs/dbraw/zinc/02/66/01/997026601.db2.gz LEOQHUNUYSYWRZ-OAHLLOKOSA-N 1 3 357.458 2.614 20 0 FFADHO CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000824645510 997026611 /nfs/dbraw/zinc/02/66/11/997026611.db2.gz LEOQHUNUYSYWRZ-OAHLLOKOSA-N 1 3 357.458 2.614 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084831258 997578432 /nfs/dbraw/zinc/57/84/32/997578432.db2.gz FAURLYQYSJIQDF-SVFBPWRDSA-N 1 3 353.510 2.548 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C4CC4)C[C@H]32)C1 ZINC001084831258 997578443 /nfs/dbraw/zinc/57/84/43/997578443.db2.gz FAURLYQYSJIQDF-SVFBPWRDSA-N 1 3 353.510 2.548 20 0 FFADHO COc1ccc(C(=O)C2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903724825 1016156149 /nfs/dbraw/zinc/15/61/49/1016156149.db2.gz QXIRCIWHPHSFLV-HXUWFJFHSA-N 1 3 372.509 2.749 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(-n4cccc4)cc3)CC2)CC1 ZINC001144251886 998217759 /nfs/dbraw/zinc/21/77/59/998217759.db2.gz JFSUSPYBXFRUPN-UHFFFAOYSA-N 1 3 352.526 2.937 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC001091035947 998251056 /nfs/dbraw/zinc/25/10/56/998251056.db2.gz OCUJJWTYBOMQPB-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC001091035947 998251069 /nfs/dbraw/zinc/25/10/69/998251069.db2.gz OCUJJWTYBOMQPB-PSPNYPNSSA-N 1 3 367.896 2.804 20 0 FFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001085100692 998945359 /nfs/dbraw/zinc/94/53/59/998945359.db2.gz XFKNPIDWMVCENO-CVEARBPZSA-N 1 3 361.452 2.738 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCO1)N1CCCCC1 ZINC001085198956 999150879 /nfs/dbraw/zinc/15/08/79/999150879.db2.gz QRMWXZLEQCFLCJ-IPMKNSEASA-N 1 3 365.562 2.837 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC001085217594 999184919 /nfs/dbraw/zinc/18/49/19/999184919.db2.gz IFCIKXSFCDJLTP-AQNXPRMDSA-N 1 3 358.530 2.781 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085224632 999194174 /nfs/dbraw/zinc/19/41/74/999194174.db2.gz NRBJQIMXZISDLV-KBAYOESNSA-N 1 3 364.559 2.638 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccns2)C1 ZINC001085224632 999194176 /nfs/dbraw/zinc/19/41/76/999194176.db2.gz NRBJQIMXZISDLV-KBAYOESNSA-N 1 3 364.559 2.638 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCCOC2)c1 ZINC001096605073 1016342367 /nfs/dbraw/zinc/34/23/67/1016342367.db2.gz ZCPLVEJLARYWSC-NRDMVMEKSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCCOC2)c1 ZINC001096605073 1016342376 /nfs/dbraw/zinc/34/23/76/1016342376.db2.gz ZCPLVEJLARYWSC-NRDMVMEKSA-N 1 3 371.525 2.510 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@]3(CCC(=O)N3Cc3ccncc3)C1)C2 ZINC001169134203 1000024168 /nfs/dbraw/zinc/02/41/68/1000024168.db2.gz RDLBGVQMCHRUKK-HIUFNZKISA-N 1 3 368.525 2.664 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@]3(CCC(=O)N3Cc3ccncc3)C1)C2 ZINC001169134203 1000024170 /nfs/dbraw/zinc/02/41/70/1000024170.db2.gz RDLBGVQMCHRUKK-HIUFNZKISA-N 1 3 368.525 2.664 20 0 FFADHO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153944 1000028539 /nfs/dbraw/zinc/02/85/39/1000028539.db2.gz MUBOZFJHBQMYJW-CIAFKFPVSA-N 1 3 357.542 2.835 20 0 FFADHO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153944 1000028541 /nfs/dbraw/zinc/02/85/41/1000028541.db2.gz MUBOZFJHBQMYJW-CIAFKFPVSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153944 1000028543 /nfs/dbraw/zinc/02/85/43/1000028543.db2.gz MUBOZFJHBQMYJW-CIAFKFPVSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153944 1000028545 /nfs/dbraw/zinc/02/85/45/1000028545.db2.gz MUBOZFJHBQMYJW-CIAFKFPVSA-N 1 3 357.542 2.835 20 0 FFADHO CCOC(=O)N1CCC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001169664577 1000067241 /nfs/dbraw/zinc/06/72/41/1000067241.db2.gz PLDJYPWCXQGTQF-FQEVSTJZSA-N 1 3 374.529 2.894 20 0 FFADHO CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1CN(C)C)C2 ZINC001109356558 1000302580 /nfs/dbraw/zinc/30/25/80/1000302580.db2.gz SMIMMEHSYHVCFA-IKGGRYGDSA-N 1 3 365.543 2.570 20 0 FFADHO CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1CN(C)C)C2 ZINC001109356558 1000302585 /nfs/dbraw/zinc/30/25/85/1000302585.db2.gz SMIMMEHSYHVCFA-IKGGRYGDSA-N 1 3 365.543 2.570 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560802 1000638924 /nfs/dbraw/zinc/63/89/24/1000638924.db2.gz SDEZQNLDPOXRSA-QYZOEREBSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN([C@H]3CCc4c3cccc4F)CC2)CC[N@@H+]1C ZINC001000701402 1016442718 /nfs/dbraw/zinc/44/27/18/1016442718.db2.gz HSEJBWVKOAECJE-CEQIKUNHSA-N 1 3 371.500 2.902 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2=CCN([C@H]3CCc4c3cccc4F)CC2)CC[N@H+]1C ZINC001000701402 1016442728 /nfs/dbraw/zinc/44/27/28/1016442728.db2.gz HSEJBWVKOAECJE-CEQIKUNHSA-N 1 3 371.500 2.902 20 0 FFADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCCc2ccc(F)cc21 ZINC001109674014 1000830847 /nfs/dbraw/zinc/83/08/47/1000830847.db2.gz XHJSVVFYWWPUGD-GTAWCEEGSA-N 1 3 359.489 2.876 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091737124 1001182146 /nfs/dbraw/zinc/18/21/46/1001182146.db2.gz CARJWHILRSGMGP-GIWBLDEGSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091737124 1001182152 /nfs/dbraw/zinc/18/21/52/1001182152.db2.gz CARJWHILRSGMGP-GIWBLDEGSA-N 1 3 369.553 2.924 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOCC ZINC001109959743 1001202500 /nfs/dbraw/zinc/20/25/00/1001202500.db2.gz ZGKATGSUKPAVMQ-FUMNGEBKSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOCC ZINC001109959743 1001202503 /nfs/dbraw/zinc/20/25/03/1001202503.db2.gz ZGKATGSUKPAVMQ-FUMNGEBKSA-N 1 3 365.562 2.789 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754678 1001232071 /nfs/dbraw/zinc/23/20/71/1001232071.db2.gz XOXZKYLYFCEQMZ-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754678 1001232078 /nfs/dbraw/zinc/23/20/78/1001232078.db2.gz XOXZKYLYFCEQMZ-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccccc3CN(C)C)C2)o1 ZINC001086883030 1001300558 /nfs/dbraw/zinc/30/05/58/1001300558.db2.gz DSWOFBKSOZSJTA-FUHWJXTLSA-N 1 3 370.497 2.733 20 0 FFADHO Cc1ncc(CN[C@@H]2CC[C@H](CNC(=O)c3ccccc3C[NH+](C)C)C2)o1 ZINC001086883030 1001300561 /nfs/dbraw/zinc/30/05/61/1001300561.db2.gz DSWOFBKSOZSJTA-FUHWJXTLSA-N 1 3 370.497 2.733 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCC(C)C ZINC001110019377 1001321939 /nfs/dbraw/zinc/32/19/39/1001321939.db2.gz UMDLGXZVRKFVEY-QYZOEREBSA-N 1 3 353.551 2.503 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCC(C)C ZINC001110019377 1001321946 /nfs/dbraw/zinc/32/19/46/1001321946.db2.gz UMDLGXZVRKFVEY-QYZOEREBSA-N 1 3 353.551 2.503 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000772293786 1001350742 /nfs/dbraw/zinc/35/07/42/1001350742.db2.gz TXOYUFMNWBYCNS-MRXNPFEDSA-N 1 3 361.530 2.943 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(F)c2)C1 ZINC001112567168 1001497948 /nfs/dbraw/zinc/49/79/48/1001497948.db2.gz AQKMRZIRDJCCPU-RXVVDRJESA-N 1 3 361.505 2.886 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087054014 1001737489 /nfs/dbraw/zinc/73/74/89/1001737489.db2.gz QHAVBORUOSBSFY-VAMGGRTRSA-N 1 3 365.562 2.503 20 0 FFADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087059473 1001741787 /nfs/dbraw/zinc/74/17/87/1001741787.db2.gz HSHWXNHRPAAGGB-UYAOXDASSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](OCC)C1 ZINC001087058672 1001758891 /nfs/dbraw/zinc/75/88/91/1001758891.db2.gz WFPMQJFYNODGBN-VAMGGRTRSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@]2(C)C1)N(C)C ZINC001091780233 1001903953 /nfs/dbraw/zinc/90/39/53/1001903953.db2.gz AQDASLWJIIVIFW-UZKOGDIHSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@]2(C)C1)N(C)C ZINC001091780233 1001903956 /nfs/dbraw/zinc/90/39/56/1001903956.db2.gz AQDASLWJIIVIFW-UZKOGDIHSA-N 1 3 357.542 2.924 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCc3cccs3)C[C@@]2(C)C1)N(C)C ZINC001091985749 1002181283 /nfs/dbraw/zinc/18/12/83/1002181283.db2.gz GOFIPQKGDCDPHT-POAQFYNOSA-N 1 3 363.571 2.657 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCc3cccs3)C[C@@]2(C)C1)N(C)C ZINC001091985749 1002181285 /nfs/dbraw/zinc/18/12/85/1002181285.db2.gz GOFIPQKGDCDPHT-POAQFYNOSA-N 1 3 363.571 2.657 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CCc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092011610 1002279544 /nfs/dbraw/zinc/27/95/44/1002279544.db2.gz BUNJSGFVRWCBSM-OFNKIYASSA-N 1 3 369.553 2.741 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CCc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092011610 1002279553 /nfs/dbraw/zinc/27/95/53/1002279553.db2.gz BUNJSGFVRWCBSM-OFNKIYASSA-N 1 3 369.553 2.741 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001092020111 1002296469 /nfs/dbraw/zinc/29/64/69/1002296469.db2.gz FXBHJIRCEGYSSO-URVUXULASA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001092020111 1002296481 /nfs/dbraw/zinc/29/64/81/1002296481.db2.gz FXBHJIRCEGYSSO-URVUXULASA-N 1 3 357.542 2.924 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1C ZINC001092050389 1002321212 /nfs/dbraw/zinc/32/12/12/1002321212.db2.gz TYIFOLFQSJIMDE-NQIIRXRSSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)cc1C ZINC001092050389 1002321226 /nfs/dbraw/zinc/32/12/26/1002321226.db2.gz TYIFOLFQSJIMDE-NQIIRXRSSA-N 1 3 352.482 2.550 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC001092071388 1002369092 /nfs/dbraw/zinc/36/90/92/1002369092.db2.gz TZJKLVIENZYDIP-MJHUQKSXSA-N 1 3 353.938 2.782 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC001092071388 1002369104 /nfs/dbraw/zinc/36/91/04/1002369104.db2.gz TZJKLVIENZYDIP-MJHUQKSXSA-N 1 3 353.938 2.782 20 0 FFADHO Cc1ccc(F)c(CN2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)c1 ZINC001092203059 1002498351 /nfs/dbraw/zinc/49/83/51/1002498351.db2.gz BHIPUFSCNYXVPA-NQIIRXRSSA-N 1 3 371.500 2.510 20 0 FFADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)CCN(Cc2ccccc2)C1 ZINC001184364016 1002568021 /nfs/dbraw/zinc/56/80/21/1002568021.db2.gz JZKRNHAXYYQMPH-FUPPJEDESA-N 1 3 374.569 2.848 20 0 FFADHO CC(C)(C)[C@]1(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)CCN(Cc2ccccc2)C1 ZINC001184364016 1002568028 /nfs/dbraw/zinc/56/80/28/1002568028.db2.gz JZKRNHAXYYQMPH-FUPPJEDESA-N 1 3 374.569 2.848 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001095529050 1016641305 /nfs/dbraw/zinc/64/13/05/1016641305.db2.gz BKVQWKHYJDIUSY-CGXNFDGLSA-N 1 3 355.526 2.886 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)C1 ZINC001095529050 1016641309 /nfs/dbraw/zinc/64/13/09/1016641309.db2.gz BKVQWKHYJDIUSY-CGXNFDGLSA-N 1 3 355.526 2.886 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(F)(F)F)C[C@@]2(C)C1 ZINC001092302061 1002632755 /nfs/dbraw/zinc/63/27/55/1002632755.db2.gz RHOIKLPDNAXQBO-VYDXJSESSA-N 1 3 361.452 2.594 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@]2(C)C1 ZINC001092302061 1002632760 /nfs/dbraw/zinc/63/27/60/1002632760.db2.gz RHOIKLPDNAXQBO-VYDXJSESSA-N 1 3 361.452 2.594 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1C ZINC001092658247 1003361862 /nfs/dbraw/zinc/36/18/62/1003361862.db2.gz MYJLAHPHHQUFNE-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1C ZINC001092658247 1003361870 /nfs/dbraw/zinc/36/18/70/1003361870.db2.gz MYJLAHPHHQUFNE-KYJSFNMBSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001130124638 1003971405 /nfs/dbraw/zinc/97/14/05/1003971405.db2.gz IWUOKXSCLMKWDK-XQBPLPMBSA-N 1 3 373.516 2.932 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)C1 ZINC001130124638 1003971409 /nfs/dbraw/zinc/97/14/09/1003971409.db2.gz IWUOKXSCLMKWDK-XQBPLPMBSA-N 1 3 373.516 2.932 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401955 1004196281 /nfs/dbraw/zinc/19/62/81/1004196281.db2.gz DDROUFGMNOZUKC-RBUKOAKNSA-N 1 3 356.514 2.957 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401955 1004196285 /nfs/dbraw/zinc/19/62/85/1004196285.db2.gz DDROUFGMNOZUKC-RBUKOAKNSA-N 1 3 356.514 2.957 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC1CCC1 ZINC001198741746 1004718708 /nfs/dbraw/zinc/71/87/08/1004718708.db2.gz LQFGFTBVGIXINW-SUMDDJOVSA-N 1 3 359.514 2.582 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC1CCC1 ZINC001198741746 1004718713 /nfs/dbraw/zinc/71/87/13/1004718713.db2.gz LQFGFTBVGIXINW-SUMDDJOVSA-N 1 3 359.514 2.582 20 0 FFADHO CCCCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740356 1004718934 /nfs/dbraw/zinc/71/89/34/1004718934.db2.gz CWGYZAIJAGBAAO-GBESFXJTSA-N 1 3 361.530 2.973 20 0 FFADHO CCCCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740356 1004718938 /nfs/dbraw/zinc/71/89/38/1004718938.db2.gz CWGYZAIJAGBAAO-GBESFXJTSA-N 1 3 361.530 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC2CC2)c2ccccc2OC)CC[N@@H+]1C ZINC001198742822 1004720178 /nfs/dbraw/zinc/72/01/78/1004720178.db2.gz STKYCHBEPWMARL-GBESFXJTSA-N 1 3 359.514 2.582 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC2CC2)c2ccccc2OC)CC[N@H+]1C ZINC001198742822 1004720183 /nfs/dbraw/zinc/72/01/83/1004720183.db2.gz STKYCHBEPWMARL-GBESFXJTSA-N 1 3 359.514 2.582 20 0 FFADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001195581384 1004991662 /nfs/dbraw/zinc/99/16/62/1004991662.db2.gz RDAYROJZYAGSOU-HSALFYBXSA-N 1 3 365.562 2.525 20 0 FFADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001195581384 1004991667 /nfs/dbraw/zinc/99/16/67/1004991667.db2.gz RDAYROJZYAGSOU-HSALFYBXSA-N 1 3 365.562 2.525 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC/C=C\c3ccccc3)CC2)CC[N@@H+]1C ZINC001195894097 1005061763 /nfs/dbraw/zinc/06/17/63/1005061763.db2.gz QVBNQYHMSJBEEY-XDAAGJMFSA-N 1 3 355.526 2.964 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CC/C=C\c3ccccc3)CC2)CC[N@H+]1C ZINC001195894097 1005061769 /nfs/dbraw/zinc/06/17/69/1005061769.db2.gz QVBNQYHMSJBEEY-XDAAGJMFSA-N 1 3 355.526 2.964 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001273855898 1005127632 /nfs/dbraw/zinc/12/76/32/1005127632.db2.gz YKYBXAUFEZJVDD-IYBDPMFKSA-N 1 3 363.468 2.841 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001273855898 1005127633 /nfs/dbraw/zinc/12/76/33/1005127633.db2.gz YKYBXAUFEZJVDD-IYBDPMFKSA-N 1 3 363.468 2.841 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001097062971 1016960762 /nfs/dbraw/zinc/96/07/62/1016960762.db2.gz AHFYIWJHAVQWRC-OQIJWPOYSA-N 1 3 361.555 2.885 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001097062971 1016960770 /nfs/dbraw/zinc/96/07/70/1016960770.db2.gz AHFYIWJHAVQWRC-OQIJWPOYSA-N 1 3 361.555 2.885 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001086712285 1005962253 /nfs/dbraw/zinc/96/22/53/1005962253.db2.gz YPBBOAGCAIABHI-HBMCJLEFSA-N 1 3 357.542 2.978 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)CC1 ZINC000678295884 1017042997 /nfs/dbraw/zinc/04/29/97/1017042997.db2.gz KVHMZJAEYDQTPG-UHFFFAOYSA-N 1 3 367.541 2.863 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCc1ccccc1)N(C)C ZINC001110694460 1007062407 /nfs/dbraw/zinc/06/24/07/1007062407.db2.gz CEWQGEMHNXRTPH-CGXNFDGLSA-N 1 3 357.542 2.927 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCc1ccccc1)N(C)C ZINC001110694460 1007062421 /nfs/dbraw/zinc/06/24/21/1007062421.db2.gz CEWQGEMHNXRTPH-CGXNFDGLSA-N 1 3 357.542 2.927 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCCCC(F)(F)F)C[C@H]32)C1 ZINC001189786269 1007274645 /nfs/dbraw/zinc/27/46/45/1007274645.db2.gz BWERGNWJDHLGGB-HRCADAONSA-N 1 3 361.452 2.594 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(CCCCC(F)(F)F)C[C@H]32)C1 ZINC001189786269 1007274652 /nfs/dbraw/zinc/27/46/52/1007274652.db2.gz BWERGNWJDHLGGB-HRCADAONSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2)C1=O ZINC000817928864 1007798193 /nfs/dbraw/zinc/79/81/93/1007798193.db2.gz GIPBVXYXSQJWDY-UQASEVPWSA-N 1 3 370.497 2.519 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCNC[C@H]1C ZINC000817970135 1007835306 /nfs/dbraw/zinc/83/53/06/1007835306.db2.gz MGQQWTOTGHHIQJ-MDZRGWNJSA-N 1 3 357.498 2.819 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CCN(CC[NH+]3CCCCC3)C2)ccn1 ZINC000856600838 1007909261 /nfs/dbraw/zinc/90/92/61/1007909261.db2.gz XIEDWPNVZJEQDG-NRFANRHFSA-N 1 3 360.546 2.861 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCn3ccnc3)C2)ccn1 ZINC000856603292 1007909444 /nfs/dbraw/zinc/90/94/44/1007909444.db2.gz GMUYSDFCJWVJJC-FQEVSTJZSA-N 1 3 357.502 2.662 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCn3ccnc3)C2)ccn1 ZINC000856603292 1007909452 /nfs/dbraw/zinc/90/94/52/1007909452.db2.gz GMUYSDFCJWVJJC-FQEVSTJZSA-N 1 3 357.502 2.662 20 0 FFADHO COc1ncc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001206387680 1032263567 /nfs/dbraw/zinc/26/35/67/1032263567.db2.gz XYXQTMYKEYQBMV-SFHVURJKSA-N 1 3 356.470 2.955 20 0 FFADHO COc1ncc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001206387680 1032263575 /nfs/dbraw/zinc/26/35/75/1032263575.db2.gz XYXQTMYKEYQBMV-SFHVURJKSA-N 1 3 356.470 2.955 20 0 FFADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819059456 1008021781 /nfs/dbraw/zinc/02/17/81/1008021781.db2.gz CBWRJADVJGCGPE-ROUUACIJSA-N 1 3 372.431 2.972 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000819084244 1008030872 /nfs/dbraw/zinc/03/08/72/1008030872.db2.gz LOBROJRCAPTCEH-VGSWGCGISA-N 1 3 354.494 2.964 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858766045 1008418702 /nfs/dbraw/zinc/41/87/02/1008418702.db2.gz IRVIJGOKMWCDEQ-QUCCMNQESA-N 1 3 353.510 2.642 20 0 FFADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858766045 1008418706 /nfs/dbraw/zinc/41/87/06/1008418706.db2.gz IRVIJGOKMWCDEQ-QUCCMNQESA-N 1 3 353.510 2.642 20 0 FFADHO c1cc(CN2CCC(C[NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)ccn1 ZINC000886160158 1008593947 /nfs/dbraw/zinc/59/39/47/1008593947.db2.gz LJNKMXIPWCBXNV-FQEVSTJZSA-N 1 3 359.514 2.611 20 0 FFADHO NC(=O)c1cccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1 ZINC000886545348 1008728880 /nfs/dbraw/zinc/72/88/80/1008728880.db2.gz LEWKVGGZULDHAZ-BVSLBCMMSA-N 1 3 363.505 2.971 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931187 1009469505 /nfs/dbraw/zinc/46/95/05/1009469505.db2.gz GJLPNUSHMRJNTM-UKRRQHHQSA-N 1 3 369.962 2.927 20 0 FFADHO CCN(C(=O)c1ccc(OCC[NH+](CC)CC)cc1)C1CCN(C)CC1 ZINC000861895168 1009609408 /nfs/dbraw/zinc/60/94/08/1009609408.db2.gz UDKUABDECSZILU-UHFFFAOYSA-N 1 3 361.530 2.964 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1)N1CCCC1 ZINC001180579994 1009734580 /nfs/dbraw/zinc/73/45/80/1009734580.db2.gz UILMRXRRNAGIDL-ZFMNYDKASA-N 1 3 370.541 2.625 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)N1CCCC1 ZINC001180579994 1009734594 /nfs/dbraw/zinc/73/45/94/1009734594.db2.gz UILMRXRRNAGIDL-ZFMNYDKASA-N 1 3 370.541 2.625 20 0 FFADHO C[C@@H](C(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1 ZINC001180583852 1009759892 /nfs/dbraw/zinc/75/98/92/1009759892.db2.gz BEBIBMDCTQKWEG-AWEZNQCLSA-N 1 3 369.431 2.966 20 0 FFADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862275007 1009779318 /nfs/dbraw/zinc/77/93/18/1009779318.db2.gz IUDRGOWZILKXLN-YJBOKZPZSA-N 1 3 367.534 2.617 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1)C(C)C ZINC000889770566 1010104378 /nfs/dbraw/zinc/10/43/78/1010104378.db2.gz UMUSIIHPCJOPKR-LEWJYISDSA-N 1 3 373.541 2.588 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1)C(C)C ZINC000889770566 1010104389 /nfs/dbraw/zinc/10/43/89/1010104389.db2.gz UMUSIIHPCJOPKR-LEWJYISDSA-N 1 3 373.541 2.588 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@H](C)C2)on1 ZINC001093217676 1010159375 /nfs/dbraw/zinc/15/93/75/1010159375.db2.gz IGEATHIZWZUZID-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO CN1CCC(O)(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC001182034370 1010352416 /nfs/dbraw/zinc/35/24/16/1010352416.db2.gz QYPRSTNISXTPBV-UHFFFAOYSA-N 1 3 359.514 2.846 20 0 FFADHO CN1CCC(O)(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC001182034370 1010352430 /nfs/dbraw/zinc/35/24/30/1010352430.db2.gz QYPRSTNISXTPBV-UHFFFAOYSA-N 1 3 359.514 2.846 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001093822372 1010593239 /nfs/dbraw/zinc/59/32/39/1010593239.db2.gz NTWJPMBYAUKDEF-VQIMIIECSA-N 1 3 361.505 2.825 20 0 FFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093822154 1010594377 /nfs/dbraw/zinc/59/43/77/1010594377.db2.gz LRGVCFOJWPTLKN-UIFIKXQLSA-N 1 3 357.542 2.828 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001093824052 1010595396 /nfs/dbraw/zinc/59/53/96/1010595396.db2.gz FKRYXWUQEFTHDG-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](CNCc2cscn2)[C@H](C)C1 ZINC001093824052 1010595405 /nfs/dbraw/zinc/59/54/05/1010595405.db2.gz FKRYXWUQEFTHDG-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001094040346 1010802376 /nfs/dbraw/zinc/80/23/76/1010802376.db2.gz GLBBKOAQBMXUQM-SOLBZPMBSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1F ZINC001094041001 1010803425 /nfs/dbraw/zinc/80/34/25/1010803425.db2.gz SNTLFVDKSDORLB-ZHALLVOQSA-N 1 3 361.505 2.803 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2sccc2Cl)[C@H](C)C1)N(C)C ZINC001094049229 1010808495 /nfs/dbraw/zinc/80/84/95/1010808495.db2.gz NITLQBPCJVJNSP-NFAWXSAZSA-N 1 3 357.951 2.926 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001094074977 1010834802 /nfs/dbraw/zinc/83/48/02/1010834802.db2.gz RGOHLGZNGOTGAL-CRAIPNDOSA-N 1 3 352.482 2.714 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncs2)[C@H](C)C1 ZINC001094088939 1010849416 /nfs/dbraw/zinc/84/94/16/1010849416.db2.gz XCQVRZKFNCMZRZ-NUJGCVRESA-N 1 3 364.559 2.590 20 0 FFADHO Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001094237637 1010981065 /nfs/dbraw/zinc/98/10/65/1010981065.db2.gz DNERZEMQRRZNKS-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO CC[NH+](CC)Cc1cc([C@@H](C)NC2CN(c3ccncn3)C2)ccc1OC ZINC000866495580 1011003930 /nfs/dbraw/zinc/00/39/30/1011003930.db2.gz FDKSIBWSUZRIPR-MRXNPFEDSA-N 1 3 369.513 2.866 20 0 FFADHO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000866665875 1011034104 /nfs/dbraw/zinc/03/41/04/1011034104.db2.gz JNBNPPXRDKZHRJ-AABGKKOBSA-N 1 3 359.514 2.565 20 0 FFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000866667037 1011034651 /nfs/dbraw/zinc/03/46/51/1011034651.db2.gz ZAYJOCYBIFNHMJ-PWRODBHTSA-N 1 3 373.541 2.955 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2 ZINC001094430621 1011114954 /nfs/dbraw/zinc/11/49/54/1011114954.db2.gz SGOYNSWKAKXXSN-TUNNFDKTSA-N 1 3 370.541 2.817 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2 ZINC001094430621 1011114956 /nfs/dbraw/zinc/11/49/56/1011114956.db2.gz SGOYNSWKAKXXSN-TUNNFDKTSA-N 1 3 370.541 2.817 20 0 FFADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000868166001 1011187677 /nfs/dbraw/zinc/18/76/77/1011187677.db2.gz FVZHNANCDDOTOB-UHFFFAOYSA-N 1 3 359.518 2.559 20 0 FFADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161919 1011323507 /nfs/dbraw/zinc/32/35/07/1011323507.db2.gz YKEPBECRBRWBFU-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161919 1011323518 /nfs/dbraw/zinc/32/35/18/1011323518.db2.gz YKEPBECRBRWBFU-FYQPLNBISA-N 1 3 365.562 2.645 20 0 FFADHO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCC3(CN(C)C3)CC2)C1 ZINC001274230480 1011330293 /nfs/dbraw/zinc/33/02/93/1011330293.db2.gz BLAFEIAPVYQEOQ-FQEVSTJZSA-N 1 3 355.526 2.761 20 0 FFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCC3(CN(C)C3)CC2)C1 ZINC001274230480 1011330309 /nfs/dbraw/zinc/33/03/09/1011330309.db2.gz BLAFEIAPVYQEOQ-FQEVSTJZSA-N 1 3 355.526 2.761 20 0 FFADHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)c3ccccn3)CC2)CC1(C)C ZINC001171640571 1011424053 /nfs/dbraw/zinc/42/40/53/1011424053.db2.gz FSQFYKADEQBUBJ-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)c3ccccn3)CC2)CC1(C)C ZINC001171640571 1011424058 /nfs/dbraw/zinc/42/40/58/1011424058.db2.gz FSQFYKADEQBUBJ-UHFFFAOYSA-N 1 3 358.530 2.927 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000645292423 1011424756 /nfs/dbraw/zinc/42/47/56/1011424756.db2.gz UDQHOZAOPZFHGI-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000645292423 1011424760 /nfs/dbraw/zinc/42/47/60/1011424760.db2.gz UDQHOZAOPZFHGI-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(N1CCC2(CN(CCCC(F)(F)F)C2)CC1)C12CCC[NH+]1CCC2 ZINC001274407376 1011426187 /nfs/dbraw/zinc/42/61/87/1011426187.db2.gz CIQJDTWINMXLIX-UHFFFAOYSA-N 1 3 373.463 2.882 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718120 1011433809 /nfs/dbraw/zinc/43/38/09/1011433809.db2.gz RCXAOFIGFGSJTH-BBWFWOEESA-N 1 3 365.518 2.861 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718120 1011433814 /nfs/dbraw/zinc/43/38/14/1011433814.db2.gz RCXAOFIGFGSJTH-BBWFWOEESA-N 1 3 365.518 2.861 20 0 FFADHO CC(C)(C)OC(=O)N1CCC(C[NH3+])(N[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171778016 1011466846 /nfs/dbraw/zinc/46/68/46/1011466846.db2.gz SZSUDWCTIBXAKB-OAHLLOKOSA-N 1 3 363.477 2.611 20 0 FFADHO [NH3+]C1(Cc2ccccc2Cl)CCN([C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172005858 1011562996 /nfs/dbraw/zinc/56/29/96/1011562996.db2.gz RQRVQJLCTFNIDE-KRWDZBQOSA-N 1 3 361.917 2.829 20 0 FFADHO COCC(=O)NC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985068 1011575699 /nfs/dbraw/zinc/57/56/99/1011575699.db2.gz RGMVKLCTGBCGKL-HXUWFJFHSA-N 1 3 373.541 2.657 20 0 FFADHO COCC(=O)NC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985068 1011575705 /nfs/dbraw/zinc/57/57/05/1011575705.db2.gz RGMVKLCTGBCGKL-HXUWFJFHSA-N 1 3 373.541 2.657 20 0 FFADHO COc1cncc(/C=C\CC[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000645842544 1011611182 /nfs/dbraw/zinc/61/11/82/1011611182.db2.gz ZALWEVFGFBKLGK-XQRVVYSFSA-N 1 3 372.557 2.984 20 0 FFADHO CC(C)(O)CN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172081204 1011617095 /nfs/dbraw/zinc/61/70/95/1011617095.db2.gz AZGXKGAOLDFFRD-ZBYYUNFXSA-N 1 3 371.569 2.961 20 0 FFADHO CC(C)(O)CN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172081204 1011617098 /nfs/dbraw/zinc/61/70/98/1011617098.db2.gz AZGXKGAOLDFFRD-ZBYYUNFXSA-N 1 3 371.569 2.961 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)[C@H]1CCCc3ccccc31)C2 ZINC001172110872 1011643506 /nfs/dbraw/zinc/64/35/06/1011643506.db2.gz QHLXQAVJOKTHFC-JTJHWIPRSA-N 1 3 355.526 2.828 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)[C@H]1CCCc3ccccc31)C2 ZINC001172110872 1011643513 /nfs/dbraw/zinc/64/35/13/1011643513.db2.gz QHLXQAVJOKTHFC-JTJHWIPRSA-N 1 3 355.526 2.828 20 0 FFADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115514 1011648257 /nfs/dbraw/zinc/64/82/57/1011648257.db2.gz XWKJCRVTDQELJI-QMCAAQAGSA-N 1 3 357.542 2.881 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([NH+]3CCC4(CCN(Cc5ccoc5)C4)CC3)CCN12 ZINC001172179879 1011686814 /nfs/dbraw/zinc/68/68/14/1011686814.db2.gz VTMUYXJBSTYQKZ-RTBURBONSA-N 1 3 357.498 2.721 20 0 FFADHO COCCC[NH+]1CCC(N(Cc2ccccc2)[C@@H](C)CC(=O)OC)CC1 ZINC001172253998 1011727326 /nfs/dbraw/zinc/72/73/26/1011727326.db2.gz GGDHMZDPVWFSIS-SFHVURJKSA-N 1 3 362.514 2.941 20 0 FFADHO COCCCN1CCC([N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001172255063 1011732250 /nfs/dbraw/zinc/73/22/50/1011732250.db2.gz HAJFOXJCZZRCNA-UHFFFAOYSA-N 1 3 363.521 2.834 20 0 FFADHO COCCCN1CCC([N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001172255063 1011732263 /nfs/dbraw/zinc/73/22/63/1011732263.db2.gz HAJFOXJCZZRCNA-UHFFFAOYSA-N 1 3 363.521 2.834 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095903730 1011962307 /nfs/dbraw/zinc/96/23/07/1011962307.db2.gz JWXCDISGEUZJGB-MHORFTMASA-N 1 3 369.500 2.875 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)C1 ZINC001095903730 1011962326 /nfs/dbraw/zinc/96/23/26/1011962326.db2.gz JWXCDISGEUZJGB-MHORFTMASA-N 1 3 369.500 2.875 20 0 FFADHO CCc1ccc(C[C@H](C)[NH+]2CCC(N3CCC(C(N)=O)CC3)CC2)cc1 ZINC001173246127 1012369226 /nfs/dbraw/zinc/36/92/26/1012369226.db2.gz KTPJKWDDSMPMDQ-KRWDZBQOSA-N 1 3 357.542 2.842 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000647192861 1012403940 /nfs/dbraw/zinc/40/39/40/1012403940.db2.gz ATKCGHOFRIUOPC-OALUTQOASA-N 1 3 372.513 2.846 20 0 FFADHO COc1ccc([C@@H](CC(C)C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000647288123 1012434502 /nfs/dbraw/zinc/43/45/02/1012434502.db2.gz MIMLDMPRPMCJKV-UYAOXDASSA-N 1 3 361.530 2.959 20 0 FFADHO COc1ccc([C@@H](CC(C)C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000647288123 1012434513 /nfs/dbraw/zinc/43/45/13/1012434513.db2.gz MIMLDMPRPMCJKV-UYAOXDASSA-N 1 3 361.530 2.959 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CC[C@]2(C1)c1ccccc1N(CC(F)F)C2=O ZINC001275511717 1012564344 /nfs/dbraw/zinc/56/43/44/1012564344.db2.gz NJGAMMOEFUCTIC-FQEVSTJZSA-N 1 3 365.468 2.830 20 0 FFADHO C[C@@H](NC(=O)C1(N)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648167503 1012765534 /nfs/dbraw/zinc/76/55/34/1012765534.db2.gz WVPSXTFGJIAPDM-DYESRHJHSA-N 1 3 363.505 2.510 20 0 FFADHO C[C@@H](NC(=O)C1(N)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648167503 1012765547 /nfs/dbraw/zinc/76/55/47/1012765547.db2.gz WVPSXTFGJIAPDM-DYESRHJHSA-N 1 3 363.505 2.510 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC001275656135 1012774902 /nfs/dbraw/zinc/77/49/02/1012774902.db2.gz WNXCNLYJPKLEAF-SFHVURJKSA-N 1 3 369.431 2.691 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC001275656135 1012774919 /nfs/dbraw/zinc/77/49/19/1012774919.db2.gz WNXCNLYJPKLEAF-SFHVURJKSA-N 1 3 369.431 2.691 20 0 FFADHO COC(=O)c1ccc(C[C@H](C)[NH2+]C2CCN(CC3CCOCC3)CC2)cc1 ZINC001173718948 1012917221 /nfs/dbraw/zinc/91/72/21/1012917221.db2.gz GFYBMAMBBMKPOV-KRWDZBQOSA-N 1 3 374.525 2.885 20 0 FFADHO c1nnn([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)n1 ZINC001173733074 1012924022 /nfs/dbraw/zinc/92/40/22/1012924022.db2.gz HZYXYEMXVSOAAP-ZPAWYTMASA-N 1 3 366.513 2.657 20 0 FFADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000924960509 1017563542 /nfs/dbraw/zinc/56/35/42/1017563542.db2.gz SBKWGPGUXYYGFI-AWEZNQCLSA-N 1 3 366.465 2.519 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000924960509 1017563557 /nfs/dbraw/zinc/56/35/57/1017563557.db2.gz SBKWGPGUXYYGFI-AWEZNQCLSA-N 1 3 366.465 2.519 20 0 FFADHO c1ccc(CN2CCOCC2)c(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925512923 1017772430 /nfs/dbraw/zinc/77/24/30/1017772430.db2.gz GRJQQFVSIYNNMH-YADHBBJMSA-N 1 3 357.542 2.777 20 0 FFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925909497 1017895314 /nfs/dbraw/zinc/89/53/14/1017895314.db2.gz HXWPKBIEZBAJAG-AQNXPRMDSA-N 1 3 373.545 2.733 20 0 FFADHO Cc1cccc2c1CC[C@H]2N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000679081557 1017945475 /nfs/dbraw/zinc/94/54/75/1017945475.db2.gz NMQAECAXUSUOKU-YADHBBJMSA-N 1 3 365.521 2.861 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1(C)C ZINC000827863630 1018800618 /nfs/dbraw/zinc/80/06/18/1018800618.db2.gz MDZROHJRSQKNGO-RXVVDRJESA-N 1 3 365.562 2.680 20 0 FFADHO Cc1ccnc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000683017662 1019040744 /nfs/dbraw/zinc/04/07/44/1019040744.db2.gz GAQDKDXHLPUIJV-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO CCOC(=O)CCCCCCN1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221770 1032832454 /nfs/dbraw/zinc/83/24/54/1032832454.db2.gz SBXYVZNHZCTDRF-KRWDZBQOSA-N 1 3 368.518 2.507 20 0 FFADHO C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000930137413 1019888475 /nfs/dbraw/zinc/88/84/75/1019888475.db2.gz SYCQLJAEMDSVRW-PXNSSMCTSA-N 1 3 354.498 2.799 20 0 FFADHO C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000930137413 1019888491 /nfs/dbraw/zinc/88/84/91/1019888491.db2.gz SYCQLJAEMDSVRW-PXNSSMCTSA-N 1 3 354.498 2.799 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c(C)c1 ZINC001096350779 1020190384 /nfs/dbraw/zinc/19/03/84/1020190384.db2.gz UMFXSKNTJUDXPJ-PBASOCQRSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c(C)c1 ZINC001096350779 1020190388 /nfs/dbraw/zinc/19/03/88/1020190388.db2.gz UMFXSKNTJUDXPJ-PBASOCQRSA-N 1 3 355.526 2.867 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)c2)CC1 ZINC000930892225 1020227388 /nfs/dbraw/zinc/22/73/88/1020227388.db2.gz IEHFUJNPCNVQKF-HXUWFJFHSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)c2)CC1 ZINC000930892225 1020227395 /nfs/dbraw/zinc/22/73/95/1020227395.db2.gz IEHFUJNPCNVQKF-HXUWFJFHSA-N 1 3 373.545 2.775 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCCC[N@H+](C)C3)c2)CC1 ZINC000930893860 1020228726 /nfs/dbraw/zinc/22/87/26/1020228726.db2.gz POCBOBXYVMUJIV-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCCC[N@@H+](C)C3)c2)CC1 ZINC000930893860 1020228734 /nfs/dbraw/zinc/22/87/34/1020228734.db2.gz POCBOBXYVMUJIV-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CC[NH+](CC)CCOc1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000900282972 1020329767 /nfs/dbraw/zinc/32/97/67/1020329767.db2.gz WKSJYHLMQHIARH-CQSZACIVSA-N 1 3 373.375 2.784 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCOCC1)N(CC)CC ZINC001111017630 1020601500 /nfs/dbraw/zinc/60/15/00/1020601500.db2.gz CJSSGLSAIRLZHL-WTGUMLROSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCOCC1)N(CC)CC ZINC001111017630 1020601502 /nfs/dbraw/zinc/60/15/02/1020601502.db2.gz CJSSGLSAIRLZHL-WTGUMLROSA-N 1 3 365.562 2.645 20 0 FFADHO CN1CCN([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2cccs2)CC1 ZINC000903056628 1020655740 /nfs/dbraw/zinc/65/57/40/1020655740.db2.gz WWOOCLFAHVRDFB-QZNYNHHHSA-N 1 3 374.598 2.784 20 0 FFADHO CN1CCN([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2cccs2)CC1 ZINC000903056628 1020655747 /nfs/dbraw/zinc/65/57/47/1020655747.db2.gz WWOOCLFAHVRDFB-QZNYNHHHSA-N 1 3 374.598 2.784 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1 ZINC001098214524 1020735605 /nfs/dbraw/zinc/73/56/05/1020735605.db2.gz LXZUEKQDOWEXII-WLRLJWMZSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c1 ZINC001098214524 1020735612 /nfs/dbraw/zinc/73/56/12/1020735612.db2.gz LXZUEKQDOWEXII-WLRLJWMZSA-N 1 3 355.526 2.867 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)C1 ZINC001098217839 1020739805 /nfs/dbraw/zinc/73/98/05/1020739805.db2.gz LPEAZSHAYMLFRY-UPZYVNNASA-N 1 3 367.537 2.739 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)C1 ZINC001098217839 1020739808 /nfs/dbraw/zinc/73/98/08/1020739808.db2.gz LPEAZSHAYMLFRY-UPZYVNNASA-N 1 3 367.537 2.739 20 0 FFADHO CN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@H]1CCCN(C)C1 ZINC000932420571 1020795225 /nfs/dbraw/zinc/79/52/25/1020795225.db2.gz AZHCQUQBSNWCAQ-VQTJNVASSA-N 1 3 371.529 2.529 20 0 FFADHO CN(C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)[C@H]1CCCN(C)C1 ZINC000932420571 1020795230 /nfs/dbraw/zinc/79/52/30/1020795230.db2.gz AZHCQUQBSNWCAQ-VQTJNVASSA-N 1 3 371.529 2.529 20 0 FFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CCC3(CC2)OCCO3)CC1 ZINC000903373829 1020810989 /nfs/dbraw/zinc/81/09/89/1020810989.db2.gz DOEOATGDAYUICZ-HKUYNNGSSA-N 1 3 366.546 2.667 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460253 1021157516 /nfs/dbraw/zinc/15/75/16/1021157516.db2.gz QGAPJVZHAYTVTD-NRSPTQNISA-N 1 3 373.541 2.900 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460253 1021157518 /nfs/dbraw/zinc/15/75/18/1021157518.db2.gz QGAPJVZHAYTVTD-NRSPTQNISA-N 1 3 373.541 2.900 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218101466 1032992858 /nfs/dbraw/zinc/99/28/58/1032992858.db2.gz QFBYXTKZWUPMJP-UVRCQCPESA-N 1 3 363.546 2.517 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218101466 1032992868 /nfs/dbraw/zinc/99/28/68/1032992868.db2.gz QFBYXTKZWUPMJP-UVRCQCPESA-N 1 3 363.546 2.517 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(Cc2ccc(F)cc2)CC3)CC[N@@H+]1C ZINC001016631682 1022060149 /nfs/dbraw/zinc/06/01/49/1022060149.db2.gz AOHPPAPSZBBQJQ-LZQZEXGQSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(Cc2ccc(F)cc2)CC3)CC[N@H+]1C ZINC001016631682 1022060160 /nfs/dbraw/zinc/06/01/60/1022060160.db2.gz AOHPPAPSZBBQJQ-LZQZEXGQSA-N 1 3 359.489 2.637 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](CC(C)(C)C)C2)C1=O ZINC001276374549 1022562784 /nfs/dbraw/zinc/56/27/84/1022562784.db2.gz QUZNWBVGXPQUBZ-DENIHFKCSA-N 1 3 357.542 2.912 20 0 FFADHO CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](CC(C)(C)C)C2)C1=O ZINC001276374549 1022562791 /nfs/dbraw/zinc/56/27/91/1022562791.db2.gz QUZNWBVGXPQUBZ-DENIHFKCSA-N 1 3 357.542 2.912 20 0 FFADHO CC1CC(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CN2CCC(C)(C)C2)C3)C1 ZINC001099497046 1022631786 /nfs/dbraw/zinc/63/17/86/1022631786.db2.gz PUWHOINJKOHMRJ-VLMZZQAOSA-N 1 3 361.574 2.983 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncc(C)s2)C1)N(C)C ZINC001099497468 1022633138 /nfs/dbraw/zinc/63/31/38/1022633138.db2.gz YTFJFZCVBMQPNY-BXWFABGCSA-N 1 3 364.559 2.510 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001222688962 1033116185 /nfs/dbraw/zinc/11/61/85/1033116185.db2.gz HMBRWLNRECKPMT-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001222688962 1033116189 /nfs/dbraw/zinc/11/61/89/1033116189.db2.gz HMBRWLNRECKPMT-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000948385863 1023248412 /nfs/dbraw/zinc/24/84/12/1023248412.db2.gz PVHZWXIFKGGPCT-NSISKUIASA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000948385863 1023248423 /nfs/dbraw/zinc/24/84/23/1023248423.db2.gz PVHZWXIFKGGPCT-NSISKUIASA-N 1 3 361.505 2.979 20 0 FFADHO CCCCCN1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC001218354388 1033119634 /nfs/dbraw/zinc/11/96/34/1033119634.db2.gz CGSTUGXQQPEEBI-RBUKOAKNSA-N 1 3 365.562 2.600 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](c4cccc(F)c4)CC3=O)C[C@H]2C1 ZINC001120359556 1023314166 /nfs/dbraw/zinc/31/41/66/1023314166.db2.gz MEKLXCHHGPWCHN-SOAMZJECSA-N 1 3 359.489 2.761 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](CC[NH3+])C2)c2cccs2)CC1 ZINC001120476693 1023335550 /nfs/dbraw/zinc/33/55/50/1023335550.db2.gz WIYGWCHVKQUBHD-IAGOWNOFSA-N 1 3 364.559 2.901 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC001120508443 1023343939 /nfs/dbraw/zinc/34/39/39/1023343939.db2.gz PRYWPRNATVZXJS-LRDDRELGSA-N 1 3 359.283 2.943 20 0 FFADHO O[C@@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)COCc1ccccc1Cl ZINC001120591432 1023374861 /nfs/dbraw/zinc/37/48/61/1023374861.db2.gz WTMDWPPHXWVUEF-MJGOQNOKSA-N 1 3 366.933 2.929 20 0 FFADHO O[C@@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)COCc1ccccc1Cl ZINC001120591432 1023374873 /nfs/dbraw/zinc/37/48/73/1023374873.db2.gz WTMDWPPHXWVUEF-MJGOQNOKSA-N 1 3 366.933 2.929 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001121424777 1023766081 /nfs/dbraw/zinc/76/60/81/1023766081.db2.gz PWBISAYTYVCSBC-FHWLQOOXSA-N 1 3 374.577 2.715 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2C)C1 ZINC001121424777 1023766088 /nfs/dbraw/zinc/76/60/88/1023766088.db2.gz PWBISAYTYVCSBC-FHWLQOOXSA-N 1 3 374.577 2.715 20 0 FFADHO O=C1CC2(CC[NH2+]CC2)Oc2cccc(O[C@@H]3CNCc4ccccc43)c21 ZINC001218486886 1033176745 /nfs/dbraw/zinc/17/67/45/1033176745.db2.gz DRQGAQILCQPDCV-HXUWFJFHSA-N 1 3 364.445 2.997 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4nsnc43)CC2)CC1 ZINC001123843322 1024080995 /nfs/dbraw/zinc/08/09/95/1024080995.db2.gz JALRMSFDXFYQER-UHFFFAOYSA-N 1 3 373.526 2.826 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101285155 1024328813 /nfs/dbraw/zinc/32/88/13/1024328813.db2.gz QXOORJRTGLNGQX-MDZRGWNJSA-N 1 3 371.516 2.932 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101285155 1024328826 /nfs/dbraw/zinc/32/88/26/1024328826.db2.gz QXOORJRTGLNGQX-MDZRGWNJSA-N 1 3 371.516 2.932 20 0 FFADHO O=C(NCCCCCC1CC[NH2+]CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001122151191 1024386682 /nfs/dbraw/zinc/38/66/82/1024386682.db2.gz QDESOEIMJZEJSA-NRFANRHFSA-N 1 3 372.557 2.970 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@]2(C)C1 ZINC001101398066 1024632429 /nfs/dbraw/zinc/63/24/29/1024632429.db2.gz VCXKPSMNGGRJKB-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@]2(C)C1 ZINC001101398066 1024632435 /nfs/dbraw/zinc/63/24/35/1024632435.db2.gz VCXKPSMNGGRJKB-IRLDBZIGSA-N 1 3 357.542 2.926 20 0 FFADHO Cc1sc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(C(=O)c2ccccc2)c1C ZINC001218586663 1033234477 /nfs/dbraw/zinc/23/44/77/1033234477.db2.gz CVWSCTSWXSJZBJ-KRWDZBQOSA-N 1 3 371.506 2.861 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101472999 1024838422 /nfs/dbraw/zinc/83/84/22/1024838422.db2.gz AKHRZSAPIKTPCD-IRLDBZIGSA-N 1 3 370.541 2.546 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101478180 1024842029 /nfs/dbraw/zinc/84/20/29/1024842029.db2.gz BQYUOAPZXNTFKT-JZXOWHBKSA-N 1 3 357.489 2.542 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101478180 1024842044 /nfs/dbraw/zinc/84/20/44/1024842044.db2.gz BQYUOAPZXNTFKT-JZXOWHBKSA-N 1 3 357.489 2.542 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1 ZINC001101477067 1024842135 /nfs/dbraw/zinc/84/21/35/1024842135.db2.gz BCKRKAMDXGGKLH-GGAORHGYSA-N 1 3 369.553 2.796 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@]2(C)C1 ZINC001101477067 1024842151 /nfs/dbraw/zinc/84/21/51/1024842151.db2.gz BCKRKAMDXGGKLH-GGAORHGYSA-N 1 3 369.553 2.796 20 0 FFADHO CC[C@@H](C(=O)N1CCO[C@@H]2CN(CCC3CCCC3)C[C@@H]21)[NH+](CC)CC ZINC001218623548 1033250998 /nfs/dbraw/zinc/25/09/98/1033250998.db2.gz AXUZYUSMCKXPEK-SLFFLAALSA-N 1 3 365.562 2.599 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101976214 1025234597 /nfs/dbraw/zinc/23/45/97/1025234597.db2.gz PSIXTOSDBMQETA-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101976214 1025234608 /nfs/dbraw/zinc/23/46/08/1025234608.db2.gz PSIXTOSDBMQETA-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001102015627 1025301879 /nfs/dbraw/zinc/30/18/79/1025301879.db2.gz MLNJJPXZOVUWQH-SZVBFZGTSA-N 1 3 367.484 2.690 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001102015627 1025301891 /nfs/dbraw/zinc/30/18/91/1025301891.db2.gz MLNJJPXZOVUWQH-SZVBFZGTSA-N 1 3 367.484 2.690 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045922 1025349651 /nfs/dbraw/zinc/34/96/51/1025349651.db2.gz CKBAHKBTHLIBRT-VQIMIIECSA-N 1 3 361.505 2.825 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045922 1025349663 /nfs/dbraw/zinc/34/96/63/1025349663.db2.gz CKBAHKBTHLIBRT-VQIMIIECSA-N 1 3 361.505 2.825 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047953 1025355099 /nfs/dbraw/zinc/35/50/99/1025355099.db2.gz ZPPWNQKEQDQVMJ-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047953 1025355114 /nfs/dbraw/zinc/35/51/14/1025355114.db2.gz ZPPWNQKEQDQVMJ-LSBZLQRGSA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048887 1025356962 /nfs/dbraw/zinc/35/69/62/1025356962.db2.gz SGGGGSLZYVAMAQ-LZQZEXGQSA-N 1 3 363.571 2.705 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048887 1025356976 /nfs/dbraw/zinc/35/69/76/1025356976.db2.gz SGGGGSLZYVAMAQ-LZQZEXGQSA-N 1 3 363.571 2.705 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048737 1025357171 /nfs/dbraw/zinc/35/71/71/1025357171.db2.gz NDQPTCCUHSMQKF-QFIXIFRTSA-N 1 3 368.525 2.692 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048737 1025357179 /nfs/dbraw/zinc/35/71/79/1025357179.db2.gz NDQPTCCUHSMQKF-QFIXIFRTSA-N 1 3 368.525 2.692 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102049953 1025361671 /nfs/dbraw/zinc/36/16/71/1025361671.db2.gz MDBYTIVVRCIXLU-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102049953 1025361685 /nfs/dbraw/zinc/36/16/85/1025361685.db2.gz MDBYTIVVRCIXLU-YLJYHZDGSA-N 1 3 357.542 2.917 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@H]1C ZINC001102100914 1025425347 /nfs/dbraw/zinc/42/53/47/1025425347.db2.gz CTXZTESOTGHNJW-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)C[C@H]1C ZINC001102100914 1025425353 /nfs/dbraw/zinc/42/53/53/1025425353.db2.gz CTXZTESOTGHNJW-QRQLOZEOSA-N 1 3 367.578 2.606 20 0 FFADHO Cc1ccc(F)cc1C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369847 1025826021 /nfs/dbraw/zinc/82/60/21/1025826021.db2.gz ILSUWIXTSMKDTO-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369847 1025826033 /nfs/dbraw/zinc/82/60/33/1025826033.db2.gz ILSUWIXTSMKDTO-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370130 1025827858 /nfs/dbraw/zinc/82/78/58/1025827858.db2.gz RRBNJQDLUCYSDQ-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370130 1025827873 /nfs/dbraw/zinc/82/78/73/1025827873.db2.gz RRBNJQDLUCYSDQ-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001102378175 1025850852 /nfs/dbraw/zinc/85/08/52/1025850852.db2.gz QMCRNZWLOCOWGJ-NXHRZFHOSA-N 1 3 351.560 2.705 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1C)N(C)C ZINC001102378175 1025850865 /nfs/dbraw/zinc/85/08/65/1025850865.db2.gz QMCRNZWLOCOWGJ-NXHRZFHOSA-N 1 3 351.560 2.705 20 0 FFADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000638556036 1025891384 /nfs/dbraw/zinc/89/13/84/1025891384.db2.gz IWOYGQGIJWKZRH-IXDOHACOSA-N 1 3 369.431 2.637 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1C ZINC001102472200 1026040602 /nfs/dbraw/zinc/04/06/02/1026040602.db2.gz NXZXJTKXVPSINZ-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1C ZINC001102472200 1026040620 /nfs/dbraw/zinc/04/06/20/1026040620.db2.gz NXZXJTKXVPSINZ-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1C ZINC001102473596 1026048088 /nfs/dbraw/zinc/04/80/88/1026048088.db2.gz HWMHVVKETNCDKZ-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C ZINC001102473596 1026048104 /nfs/dbraw/zinc/04/81/04/1026048104.db2.gz HWMHVVKETNCDKZ-YLJYHZDGSA-N 1 3 368.525 2.761 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102473454 1026048957 /nfs/dbraw/zinc/04/89/57/1026048957.db2.gz ABVQAVAVSOCYBT-DYESRHJHSA-N 1 3 357.542 2.701 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001102473454 1026048974 /nfs/dbraw/zinc/04/89/74/1026048974.db2.gz ABVQAVAVSOCYBT-DYESRHJHSA-N 1 3 357.542 2.701 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102475517 1026055854 /nfs/dbraw/zinc/05/58/54/1026055854.db2.gz RNVNSAWZEOWSLF-XQBPLPMBSA-N 1 3 371.569 2.817 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102475517 1026055863 /nfs/dbraw/zinc/05/58/63/1026055863.db2.gz RNVNSAWZEOWSLF-XQBPLPMBSA-N 1 3 371.569 2.817 20 0 FFADHO CCON(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000838056490 1026187934 /nfs/dbraw/zinc/18/79/34/1026187934.db2.gz JCJVNDXQQWWUCK-UHFFFAOYSA-N 1 3 374.529 2.708 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001102532006 1026244221 /nfs/dbraw/zinc/24/42/21/1026244221.db2.gz PLPMNMNHHUGFCI-VQIMIIECSA-N 1 3 354.498 2.762 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001102532006 1026244228 /nfs/dbraw/zinc/24/42/28/1026244228.db2.gz PLPMNMNHHUGFCI-VQIMIIECSA-N 1 3 354.498 2.762 20 0 FFADHO C[C@@H]1CN(Cc2cccnc2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102582944 1026342140 /nfs/dbraw/zinc/34/21/40/1026342140.db2.gz DRADOAZCKHETBE-UYAOXDASSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599120 1026397135 /nfs/dbraw/zinc/39/71/35/1026397135.db2.gz QGZHZQFPAKVASU-IEBWSBKVSA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1C)[NH+](C)C ZINC001103111899 1026971038 /nfs/dbraw/zinc/97/10/38/1026971038.db2.gz TVFSKWQOBBCNHN-FMKPAKJESA-N 1 3 364.361 2.966 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1C ZINC001103156562 1027011775 /nfs/dbraw/zinc/01/17/75/1027011775.db2.gz KOLKRCMKBFHZNB-SJLPKXTDSA-N 1 3 360.546 2.695 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1C ZINC001103156562 1027011778 /nfs/dbraw/zinc/01/17/78/1027011778.db2.gz KOLKRCMKBFHZNB-SJLPKXTDSA-N 1 3 360.546 2.695 20 0 FFADHO CN1CCC(N(c2cnc3ccc(Cl)cc3n2)C2CC[NH2+]CC2)CC1 ZINC001158581036 1027065592 /nfs/dbraw/zinc/06/55/92/1027065592.db2.gz OGURMLIPVPPCMZ-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO C[C@@H]1CN(Cc2ccns2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308929 1027199003 /nfs/dbraw/zinc/19/90/03/1027199003.db2.gz KTOFVTBOMKHMRL-HZPDHXFCSA-N 1 3 364.559 2.592 20 0 FFADHO N[C@H](C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1)C1Cc2ccccc2C1 ZINC001158968446 1027211661 /nfs/dbraw/zinc/21/16/61/1027211661.db2.gz QNIZDPNYBLDYGB-NRFANRHFSA-N 1 3 367.537 2.596 20 0 FFADHO N[C@H](C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1)C1Cc2ccccc2C1 ZINC001158968446 1027211675 /nfs/dbraw/zinc/21/16/75/1027211675.db2.gz QNIZDPNYBLDYGB-NRFANRHFSA-N 1 3 367.537 2.596 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000641806551 1027315101 /nfs/dbraw/zinc/31/51/01/1027315101.db2.gz PZVGWPZELRUYRU-SJORKVTESA-N 1 3 355.486 2.533 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001159259478 1027328700 /nfs/dbraw/zinc/32/87/00/1027328700.db2.gz YKRYVRVQLDETAJ-RZUBCFFCSA-N 1 3 373.541 2.611 20 0 FFADHO CN1CCN(Cc2ccc(Nc3cccc(N4CC[NH2+]CC4)c3)cc2)CC1 ZINC001159508673 1027415241 /nfs/dbraw/zinc/41/52/41/1027415241.db2.gz RBWVHPUEKGGJFQ-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2C)C1 ZINC001103436292 1027480919 /nfs/dbraw/zinc/48/09/19/1027480919.db2.gz SBQBPNSMMJYXTC-NLWGTHIKSA-N 1 3 361.574 2.983 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2C)C1 ZINC001103436292 1027480927 /nfs/dbraw/zinc/48/09/27/1027480927.db2.gz SBQBPNSMMJYXTC-NLWGTHIKSA-N 1 3 361.574 2.983 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2c(C)nsc2C)C[C@H]1C)N(C)C ZINC001103444959 1027494388 /nfs/dbraw/zinc/49/43/88/1027494388.db2.gz RJELNURILAZDIM-QBIMZIAESA-N 1 3 366.575 2.674 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2c(C)nsc2C)C[C@H]1C)N(C)C ZINC001103444959 1027494399 /nfs/dbraw/zinc/49/43/99/1027494399.db2.gz RJELNURILAZDIM-QBIMZIAESA-N 1 3 366.575 2.674 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001103444834 1027494966 /nfs/dbraw/zinc/49/49/66/1027494966.db2.gz LGHUXUBJFBPUPZ-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C)N(C)C ZINC001103444834 1027494975 /nfs/dbraw/zinc/49/49/75/1027494975.db2.gz LGHUXUBJFBPUPZ-RLLQIKCJSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C ZINC001160427265 1027701668 /nfs/dbraw/zinc/70/16/68/1027701668.db2.gz NVSQEPREXGKYPE-BZSNNMDCSA-N 1 3 367.484 2.717 20 0 FFADHO CN(Cc1sc2ccccc2c1Cl)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160676170 1027798075 /nfs/dbraw/zinc/79/80/75/1027798075.db2.gz PNKQTPBDBCIXOY-INIZCTEOSA-N 1 3 351.903 2.840 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCc2csc(C)n2)CC[N@@H+]1C ZINC001153501889 1027908051 /nfs/dbraw/zinc/90/80/51/1027908051.db2.gz XSDCLDIRSBRQRW-FHLIZLRMSA-N 1 3 366.575 2.551 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)CCc2csc(C)n2)CC[N@H+]1C ZINC001153501889 1027908065 /nfs/dbraw/zinc/90/80/65/1027908065.db2.gz XSDCLDIRSBRQRW-FHLIZLRMSA-N 1 3 366.575 2.551 20 0 FFADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2nc(C)cs2)C[C@H]1C ZINC001103662847 1027920887 /nfs/dbraw/zinc/92/08/87/1027920887.db2.gz VKROITLFIKTYKU-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2nc(C)cs2)C[C@H]1C ZINC001103662847 1027920901 /nfs/dbraw/zinc/92/09/01/1027920901.db2.gz VKROITLFIKTYKU-NVXWUHKLSA-N 1 3 366.575 2.758 20 0 FFADHO CC(C)N(C[C@H](O)c1ccc2ccccc2c1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160930513 1027928627 /nfs/dbraw/zinc/92/86/27/1027928627.db2.gz SXRITBQSPOKJPM-PMACEKPBSA-N 1 3 357.498 2.567 20 0 FFADHO C[C@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)[C@H](N)CCC[NH3+] ZINC001160994114 1027960297 /nfs/dbraw/zinc/96/02/97/1027960297.db2.gz MJSDKNXTURBQBZ-AHRSYUTCSA-N 1 3 355.482 2.720 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)c1ccccc1 ZINC001161001654 1027967615 /nfs/dbraw/zinc/96/76/15/1027967615.db2.gz YXOXKBRHBUVYDM-PMACEKPBSA-N 1 3 373.541 2.565 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)c1ccccc1 ZINC001161001657 1027967870 /nfs/dbraw/zinc/96/78/70/1027967870.db2.gz YXOXKBRHBUVYDM-WOJBJXKFSA-N 1 3 373.541 2.565 20 0 FFADHO O=C([C@@H]1CNC[C@H](F)C1)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054603 1027987419 /nfs/dbraw/zinc/98/74/19/1027987419.db2.gz DSHKNWINPPTTNB-NSHGMRRFSA-N 1 3 359.489 2.590 20 0 FFADHO O=C([C@@H]1CNC[C@H](F)C1)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054603 1027987436 /nfs/dbraw/zinc/98/74/36/1027987436.db2.gz DSHKNWINPPTTNB-NSHGMRRFSA-N 1 3 359.489 2.590 20 0 FFADHO NC(C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)C(F)(F)F ZINC001161145525 1028037683 /nfs/dbraw/zinc/03/76/83/1028037683.db2.gz FROOYLOMIYXDOP-MRXNPFEDSA-N 1 3 369.431 2.781 20 0 FFADHO CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1 ZINC001161158511 1028041293 /nfs/dbraw/zinc/04/12/93/1028041293.db2.gz JHMHZAUGFAYGRU-HOTGVXAUSA-N 1 3 357.420 2.507 20 0 FFADHO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1 ZINC001161158511 1028041313 /nfs/dbraw/zinc/04/13/13/1028041313.db2.gz JHMHZAUGFAYGRU-HOTGVXAUSA-N 1 3 357.420 2.507 20 0 FFADHO CCC[NH+]1C[C@H]2CN(C(=O)C[C@@H](N)c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001161174699 1028053167 /nfs/dbraw/zinc/05/31/67/1028053167.db2.gz CPDOLQQDRYHXNR-YQQAZPJKSA-N 1 3 369.431 2.896 20 0 FFADHO C[C@@H]1CN(Cc2cncs2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751757 1028138729 /nfs/dbraw/zinc/13/87/29/1028138729.db2.gz PDKJBVMEBKJDKB-IAGOWNOFSA-N 1 3 364.559 2.593 20 0 FFADHO CN(C)CCN(C(=O)CCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161444464 1028177859 /nfs/dbraw/zinc/17/78/59/1028177859.db2.gz IIYPZNHQTZFXAT-QGZVFWFLSA-N 1 3 371.447 2.780 20 0 FFADHO CCOc1ccc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001161450096 1028179281 /nfs/dbraw/zinc/17/92/81/1028179281.db2.gz AQJRLWKQPMBFNF-KRWDZBQOSA-N 1 3 369.509 2.994 20 0 FFADHO CN(C)CCN(C(=O)c1cc(Cl)c(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC001161450017 1028179898 /nfs/dbraw/zinc/17/98/98/1028179898.db2.gz XUWUCQVSWHKSNY-SNVBAGLBSA-N 1 3 350.315 2.811 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001155256316 1028645459 /nfs/dbraw/zinc/64/54/59/1028645459.db2.gz GXXDSWFUXGCFKU-AWEZNQCLSA-N 1 3 351.454 2.913 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001111782358 1029435579 /nfs/dbraw/zinc/43/55/79/1029435579.db2.gz FMHGNPLVMNOMRN-VWPQPMDRSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CCC[C@]3(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001111782358 1029435588 /nfs/dbraw/zinc/43/55/88/1029435588.db2.gz FMHGNPLVMNOMRN-VWPQPMDRSA-N 1 3 370.541 2.735 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821440 1029551541 /nfs/dbraw/zinc/55/15/41/1029551541.db2.gz UYRIGWYPVKOEFB-ZWOKBUDYSA-N 1 3 353.526 2.970 20 0 FFADHO Clc1nc2c(c(-n3nc(C4CC[NH2+]CC4)c4ccccc43)n1)CNCC2 ZINC001157376578 1029568419 /nfs/dbraw/zinc/56/84/19/1029568419.db2.gz VXMNKWKTYYLIQJ-UHFFFAOYSA-N 1 3 368.872 2.582 20 0 FFADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccccc1OC1CC1)C2 ZINC001111862183 1029637746 /nfs/dbraw/zinc/63/77/46/1029637746.db2.gz AEHBFWOHWREMLA-AVRDEDQJSA-N 1 3 371.525 2.650 20 0 FFADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157740357 1029654149 /nfs/dbraw/zinc/65/41/49/1029654149.db2.gz NPLYOFBLRQWVRB-RBBKRZOGSA-N 1 3 369.484 2.903 20 0 FFADHO C[C@@H]1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C[C@@H]1[NH3+] ZINC001157799931 1029666436 /nfs/dbraw/zinc/66/64/36/1029666436.db2.gz VBVOIWBMFPWKJL-UTKZUKDTSA-N 1 3 363.505 2.904 20 0 FFADHO Fc1cnccc1N(c1cc(Cl)nc2c1CCNC2)C1CC[NH2+]CC1 ZINC001158343218 1029803705 /nfs/dbraw/zinc/80/37/05/1029803705.db2.gz LBKOAYOEAMCPMR-UHFFFAOYSA-N 1 3 361.852 2.805 20 0 FFADHO CCOCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000782969407 1029868299 /nfs/dbraw/zinc/86/82/99/1029868299.db2.gz QKSJIYHJYMQUPV-NRFANRHFSA-N 1 3 370.493 2.916 20 0 FFADHO CCOCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000782969407 1029868303 /nfs/dbraw/zinc/86/83/03/1029868303.db2.gz QKSJIYHJYMQUPV-NRFANRHFSA-N 1 3 370.493 2.916 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(CC2(C[NH3+])CC2)CC1 ZINC000841098537 1030034873 /nfs/dbraw/zinc/03/48/73/1030034873.db2.gz IFJQRMAMMPBTDW-IAGOWNOFSA-N 1 3 367.534 2.510 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114145 1030037855 /nfs/dbraw/zinc/03/78/55/1030037855.db2.gz BAXLOQWKUUNOMS-ONILBQQISA-N 1 3 361.452 2.662 20 0 FFADHO C[C@H](NC(=O)Nc1cccc(OCC[NH3+])c1)[C@H](c1ccccc1)N(C)C ZINC000841283574 1030156223 /nfs/dbraw/zinc/15/62/23/1030156223.db2.gz YEWYDBJRKPWUAW-HNAYVOBHSA-N 1 3 356.470 2.837 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001112210157 1030252132 /nfs/dbraw/zinc/25/21/32/1030252132.db2.gz YUDIGLUFAWRBTB-HZPDHXFCSA-N 1 3 361.452 2.808 20 0 FFADHO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccn1Cc1ccccc1 ZINC001166247432 1030317401 /nfs/dbraw/zinc/31/74/01/1030317401.db2.gz GZXIKWRLXFYEIO-SFHVURJKSA-N 1 3 370.541 2.847 20 0 FFADHO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccn1Cc1ccccc1 ZINC001166247432 1030317414 /nfs/dbraw/zinc/31/74/14/1030317414.db2.gz GZXIKWRLXFYEIO-SFHVURJKSA-N 1 3 370.541 2.847 20 0 FFADHO CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001112353311 1030633720 /nfs/dbraw/zinc/63/37/20/1030633720.db2.gz BDDCUSNLSDQCRT-ZVDOUQERSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699665973 1030708047 /nfs/dbraw/zinc/70/80/47/1030708047.db2.gz QATKARFNJFXNBH-SQNIBIBYSA-N 1 3 369.550 2.865 20 0 FFADHO CC(C)OCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401748 1030748482 /nfs/dbraw/zinc/74/84/82/1030748482.db2.gz WJDGQIUSMIDCHI-RXVVDRJESA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cc(F)c1F ZINC001276416307 1030837989 /nfs/dbraw/zinc/83/79/89/1030837989.db2.gz YHROAJJZMOFSDY-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001142848220 1030952054 /nfs/dbraw/zinc/95/20/54/1030952054.db2.gz CZFSWCIMLOFCAV-SJORKVTESA-N 1 3 367.484 2.975 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000843040796 1031154846 /nfs/dbraw/zinc/15/48/46/1031154846.db2.gz ZYBDBBJLRVKWGX-LJQANCHMSA-N 1 3 371.529 2.625 20 0 FFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205307094 1031660525 /nfs/dbraw/zinc/66/05/25/1031660525.db2.gz OMYGWDIWDBMYFW-YTQUADARSA-N 1 3 367.484 2.800 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178976 1031685011 /nfs/dbraw/zinc/68/50/11/1031685011.db2.gz VHHPSJVOXMFISR-IBGZPJMESA-N 1 3 373.541 2.686 20 0 FFADHO O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218743916 1033317269 /nfs/dbraw/zinc/31/72/69/1033317269.db2.gz ZTDBKFYPWIKXCI-DNVCBOLYSA-N 1 3 356.857 2.540 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(Br)ccc1O ZINC001218833751 1033364357 /nfs/dbraw/zinc/36/43/57/1033364357.db2.gz JYZJZIAVSVVBAN-LBPRGKRZSA-N 1 3 358.280 2.589 20 0 FFADHO CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1[O-] ZINC001218833751 1033364366 /nfs/dbraw/zinc/36/43/66/1033364366.db2.gz JYZJZIAVSVVBAN-LBPRGKRZSA-N 1 3 358.280 2.589 20 0 FFADHO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2)n1 ZINC001218842943 1033369972 /nfs/dbraw/zinc/36/99/72/1033369972.db2.gz LWSWNQAXEJFTOS-KRWDZBQOSA-N 1 3 371.510 2.510 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001218952601 1033425077 /nfs/dbraw/zinc/42/50/77/1033425077.db2.gz UYJCZXJXTXZURI-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001223585763 1033505974 /nfs/dbraw/zinc/50/59/74/1033505974.db2.gz XYQQERNEVZQFNM-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O ZINC001219922701 1033891430 /nfs/dbraw/zinc/89/14/30/1033891430.db2.gz CGBJDSJKFULGIM-MSOLQXFVSA-N 1 3 367.578 2.627 20 0 FFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CN(CCCC(C)(C)C)C[C@@H]1O ZINC001219922701 1033891435 /nfs/dbraw/zinc/89/14/35/1033891435.db2.gz CGBJDSJKFULGIM-MSOLQXFVSA-N 1 3 367.578 2.627 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001220062068 1033966815 /nfs/dbraw/zinc/96/68/15/1033966815.db2.gz LEHBWYJIIYUUAH-MJGOQNOKSA-N 1 3 363.571 2.936 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001220062068 1033966827 /nfs/dbraw/zinc/96/68/27/1033966827.db2.gz LEHBWYJIIYUUAH-MJGOQNOKSA-N 1 3 363.571 2.936 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001220162103 1034014823 /nfs/dbraw/zinc/01/48/23/1034014823.db2.gz HKPFJUWRMIMMMF-ZWCUEREDSA-N 1 3 373.541 2.772 20 0 FFADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161415 1034015305 /nfs/dbraw/zinc/01/53/05/1034015305.db2.gz CKHYAIDUVBGZBB-NUJGCVRESA-N 1 3 369.431 2.614 20 0 FFADHO N[C@@H](CC1CCC1)C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001220527972 1034238169 /nfs/dbraw/zinc/23/81/69/1034238169.db2.gz VHANMRDBXWUGOW-FQEVSTJZSA-N 1 3 368.525 2.809 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130068 1034569863 /nfs/dbraw/zinc/56/98/63/1034569863.db2.gz GDIPCSJWAQCAOG-FQEVSTJZSA-N 1 3 361.505 2.762 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc1 ZINC001138771181 1034637978 /nfs/dbraw/zinc/63/79/78/1034637978.db2.gz GZJZBTPHYJJFTG-YADHBBJMSA-N 1 3 374.525 2.787 20 0 FFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC001226800996 1034846394 /nfs/dbraw/zinc/84/63/94/1034846394.db2.gz RGXGJJUTDMXBJS-QRVBRYPASA-N 1 3 365.468 2.822 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)c1)C1CCC1 ZINC001226823768 1034853875 /nfs/dbraw/zinc/85/38/75/1034853875.db2.gz DIEBBJHPWHBJAD-IAGOWNOFSA-N 1 3 364.921 2.736 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)C1CCC1 ZINC001227150044 1034951536 /nfs/dbraw/zinc/95/15/36/1034951536.db2.gz JSVZDQKTLZIMIX-KZNAEPCWSA-N 1 3 353.551 2.549 20 0 FFADHO Cc1cc(C)c(CN2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c(C)c1 ZINC001221772378 1035055817 /nfs/dbraw/zinc/05/58/17/1035055817.db2.gz XJFLNVFBJQMNKF-TZIWHRDSSA-N 1 3 369.553 2.986 20 0 FFADHO O[C@H]1CCC[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139514543 1035144377 /nfs/dbraw/zinc/14/43/77/1035144377.db2.gz MVTQAVFECCKHGS-QFIPXVFZSA-N 1 3 365.521 2.966 20 0 FFADHO O[C@H]1CCC[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001139514543 1035144381 /nfs/dbraw/zinc/14/43/81/1035144381.db2.gz MVTQAVFECCKHGS-QFIPXVFZSA-N 1 3 365.521 2.966 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(F)(C4CC4)CC3)CC2)CC1 ZINC000834567404 1035408010 /nfs/dbraw/zinc/40/80/10/1035408010.db2.gz XTSCFDNXWKSMHO-UHFFFAOYSA-N 1 3 365.537 2.923 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140387449 1035461657 /nfs/dbraw/zinc/46/16/57/1035461657.db2.gz WBCDBTVLNXPCPQ-TZIWHRDSSA-N 1 3 354.498 2.743 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140387449 1035461658 /nfs/dbraw/zinc/46/16/58/1035461658.db2.gz WBCDBTVLNXPCPQ-TZIWHRDSSA-N 1 3 354.498 2.743 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2F)CC1 ZINC001228239724 1036009448 /nfs/dbraw/zinc/00/94/48/1036009448.db2.gz XNOLKHGPBCXACE-IAGOWNOFSA-N 1 3 365.468 2.824 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)noc1C)[NH+](CC)CC ZINC001228559407 1036178918 /nfs/dbraw/zinc/17/89/18/1036178918.db2.gz RNLHOKZXTAAKQE-GUDVDZBRSA-N 1 3 364.534 2.929 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001228602280 1036199258 /nfs/dbraw/zinc/19/92/58/1036199258.db2.gz GZQQXITYCOQXJM-MBOZVWFJSA-N 1 3 371.541 2.643 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C(C)C)nc1C)N(C)C ZINC001228661428 1036240463 /nfs/dbraw/zinc/24/04/63/1036240463.db2.gz SZCMJKMPYMZOGB-QRVBRYPASA-N 1 3 363.550 2.630 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1)N1CCCCCC1 ZINC001228925547 1036411613 /nfs/dbraw/zinc/41/16/13/1036411613.db2.gz XSMWGTYYBRQKEL-MISYRCLQSA-N 1 3 365.562 2.837 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H](C)O ZINC001229180913 1036535572 /nfs/dbraw/zinc/53/55/72/1036535572.db2.gz NZHZYYZTOHEMGL-IPMKNSEASA-N 1 3 355.567 2.677 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nsc1C ZINC001229859980 1036940178 /nfs/dbraw/zinc/94/01/78/1036940178.db2.gz JXFMDDRIFKCQOR-IAGOWNOFSA-N 1 3 352.548 2.619 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC001230274981 1037189402 /nfs/dbraw/zinc/18/94/02/1037189402.db2.gz XEBHDHZTOPDGLS-RTBURBONSA-N 1 3 365.493 2.562 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286271 1037195916 /nfs/dbraw/zinc/19/59/16/1037195916.db2.gz HTMBHZMSARUANK-VAMGGRTRSA-N 1 3 367.578 2.939 20 0 FFADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001230464673 1037286259 /nfs/dbraw/zinc/28/62/59/1037286259.db2.gz IVRYNDBTKKOTIN-VQTJNVASSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001230464673 1037286267 /nfs/dbraw/zinc/28/62/67/1037286267.db2.gz IVRYNDBTKKOTIN-VQTJNVASSA-N 1 3 362.562 2.911 20 0 FFADHO COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC001235336591 1037488629 /nfs/dbraw/zinc/48/86/29/1037488629.db2.gz JPZNCVCTKCVVKN-NPSOMJIGSA-N 1 3 369.292 2.824 20 0 FFADHO Cc1ccc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1Br ZINC001235368147 1037510141 /nfs/dbraw/zinc/51/01/41/1037510141.db2.gz LTQCNEIYSRAALF-ZMSDIMECSA-N 1 3 351.288 2.710 20 0 FFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207546970 1037539925 /nfs/dbraw/zinc/53/99/25/1037539925.db2.gz HEDFSVLSGBLNOM-LXGCGDOSSA-N 1 3 355.482 2.710 20 0 FFADHO N[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001235579192 1037628975 /nfs/dbraw/zinc/62/89/75/1037628975.db2.gz CJSBOPVZYMPQSF-ZHHKINOHSA-N 1 3 367.493 2.652 20 0 FFADHO N[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001235579192 1037628983 /nfs/dbraw/zinc/62/89/83/1037628983.db2.gz CJSBOPVZYMPQSF-ZHHKINOHSA-N 1 3 367.493 2.652 20 0 FFADHO c1c(CN2CCN3C[C@@H](Oc4ccccc4)C[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001235609456 1037643598 /nfs/dbraw/zinc/64/35/98/1037643598.db2.gz LLZBMTIQYQTIIR-HKUYNNGSSA-N 1 3 369.534 2.731 20 0 FFADHO CC(C)OCCN(CCOC(C)C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235694289 1037690567 /nfs/dbraw/zinc/69/05/67/1037690567.db2.gz BEIRJOOIJHHGRI-UHFFFAOYSA-N 1 3 363.546 2.748 20 0 FFADHO Fc1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)cc1N1CCOCC1 ZINC001235703059 1037699297 /nfs/dbraw/zinc/69/92/97/1037699297.db2.gz POWQXDMXZIOFRP-UHFFFAOYSA-N 1 3 361.505 2.874 20 0 FFADHO Brc1cccc([C@@H]2CN(CCC3CC[NH2+]CC3)CCN2)c1 ZINC001235796213 1037748180 /nfs/dbraw/zinc/74/81/80/1037748180.db2.gz QTBVZGGLSMBSAZ-KRWDZBQOSA-N 1 3 352.320 2.785 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3cc4cc(OC)ccc4s3)C[C@H]1CNCC2 ZINC001236040399 1037902923 /nfs/dbraw/zinc/90/29/23/1037902923.db2.gz MPOLZWVTAMBHSY-FOIQADDNSA-N 1 3 374.506 2.885 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cc4cc(OC)ccc4s3)C[C@H]1CNCC2 ZINC001236040399 1037902935 /nfs/dbraw/zinc/90/29/35/1037902935.db2.gz MPOLZWVTAMBHSY-FOIQADDNSA-N 1 3 374.506 2.885 20 0 FFADHO Cc1c(Cl)c(Br)ccc1CN(C)CCN1CC[NH2+]CC1 ZINC001236081447 1037924640 /nfs/dbraw/zinc/92/46/40/1037924640.db2.gz MUYGEAMHGOYDMN-UHFFFAOYSA-N 1 3 360.727 2.748 20 0 FFADHO COC(=O)c1cccc(CN(C)Cc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001236086313 1037929694 /nfs/dbraw/zinc/92/96/94/1037929694.db2.gz GMMKWAFXOBLAKB-UHFFFAOYSA-N 1 3 353.466 2.515 20 0 FFADHO Cc1cccc(Cl)c1CN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236400219 1038074928 /nfs/dbraw/zinc/07/49/28/1038074928.db2.gz DGQUVSZQVULINJ-UHFFFAOYSA-N 1 3 365.949 2.782 20 0 FFADHO C[NH+](C)CC1(CN2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)CCCC1 ZINC001208186386 1038123285 /nfs/dbraw/zinc/12/32/85/1038123285.db2.gz JQLUHURQFREEJO-TZIWHRDSSA-N 1 3 357.542 2.946 20 0 FFADHO COc1cc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)ccn1 ZINC001236620900 1038159796 /nfs/dbraw/zinc/15/97/96/1038159796.db2.gz HILHVPFGGSJDNR-UHFFFAOYSA-N 1 3 353.466 2.779 20 0 FFADHO Cc1ccc(CN(Cc2cn3c(n2)CNCC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236721971 1038218282 /nfs/dbraw/zinc/21/82/82/1038218282.db2.gz BBXMEAGXNVHFNR-KESTWPANSA-N 1 3 353.514 2.567 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](Cc1cccc3ccoc31)CC2 ZINC001236731393 1038223875 /nfs/dbraw/zinc/22/38/75/1038223875.db2.gz MNHAAOJQGGYNCP-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1cccc3ccoc31)CC2 ZINC001236731393 1038223886 /nfs/dbraw/zinc/22/38/86/1038223886.db2.gz MNHAAOJQGGYNCP-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001255960460 1038274902 /nfs/dbraw/zinc/27/49/02/1038274902.db2.gz SIZZXOICWGXDRV-XKGZKEIXSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001255960460 1038274909 /nfs/dbraw/zinc/27/49/09/1038274909.db2.gz SIZZXOICWGXDRV-XKGZKEIXSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001255960460 1038274915 /nfs/dbraw/zinc/27/49/15/1038274915.db2.gz SIZZXOICWGXDRV-XKGZKEIXSA-N 1 3 361.505 2.836 20 0 FFADHO Cc1cccc(O[C@H]2CCCN(Cc3ccccc3N3CC[NH2+]CC3)C2)n1 ZINC001236846521 1038308254 /nfs/dbraw/zinc/30/82/54/1038308254.db2.gz DWBPJIBXZZLQFZ-FQEVSTJZSA-N 1 3 366.509 2.843 20 0 FFADHO CN1CCN(c2cccc(CN3CCC(C)([NH+]4CCCC4)CC3)c2)CC1 ZINC001236894604 1038338317 /nfs/dbraw/zinc/33/83/17/1038338317.db2.gz RNZJOMVYMZTZCB-UHFFFAOYSA-N 1 3 356.558 2.889 20 0 FFADHO c1cncc(CO[C@@H]2CO[C@@]3(C2)CCCN(C2CC[NH+](C4CC4)CC2)C3)c1 ZINC001256078255 1038365163 /nfs/dbraw/zinc/36/51/63/1038365163.db2.gz YLTRADDKCZHBCG-FCHUYYIVSA-N 1 3 371.525 2.849 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515675 1038375804 /nfs/dbraw/zinc/37/58/04/1038375804.db2.gz YWLWSMUMOMUXFA-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515675 1038375813 /nfs/dbraw/zinc/37/58/13/1038375813.db2.gz YWLWSMUMOMUXFA-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCOCCC(C)C)C[C@H]1C)[NH+](CC)CC ZINC001208563502 1038411927 /nfs/dbraw/zinc/41/19/27/1038411927.db2.gz TUUNPTFVEXSHJG-QRVBRYPASA-N 1 3 355.567 2.606 20 0 FFADHO COc1cccc2c(CN3CCN(CC4CC[NH+](C)CC4)CC3)ccnc12 ZINC001237119221 1038449519 /nfs/dbraw/zinc/44/95/19/1038449519.db2.gz ICYIMYLJRANJDR-UHFFFAOYSA-N 1 3 368.525 2.703 20 0 FFADHO C[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001208620084 1038453437 /nfs/dbraw/zinc/45/34/37/1038453437.db2.gz MVDGQPGPJVCEFB-MDZRGWNJSA-N 1 3 359.505 2.775 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001208620084 1038453440 /nfs/dbraw/zinc/45/34/40/1038453440.db2.gz MVDGQPGPJVCEFB-MDZRGWNJSA-N 1 3 359.505 2.775 20 0 FFADHO C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(Cc1ccc3scnc3c1)CC2 ZINC001276580337 1038494344 /nfs/dbraw/zinc/49/43/44/1038494344.db2.gz MBRHHCIAHXKGTQ-INIZCTEOSA-N 1 3 372.538 2.576 20 0 FFADHO CCOC1CCC(N2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)CC1 ZINC001256447701 1038517281 /nfs/dbraw/zinc/51/72/81/1038517281.db2.gz RBICVEUDTDSIGJ-MUYFXNHWSA-N 1 3 352.519 2.684 20 0 FFADHO CCOC1CCC(N2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)CC1 ZINC001256447701 1038517283 /nfs/dbraw/zinc/51/72/83/1038517283.db2.gz RBICVEUDTDSIGJ-MUYFXNHWSA-N 1 3 352.519 2.684 20 0 FFADHO COCCC1([NH3+])CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001256461979 1038522313 /nfs/dbraw/zinc/52/23/13/1038522313.db2.gz IRYYVKQYCDGSAH-HOTGVXAUSA-N 1 3 355.523 2.604 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536496 1038550047 /nfs/dbraw/zinc/55/00/47/1038550047.db2.gz HXYWGGOSQNDYRV-WTNASJBWSA-N 1 3 374.525 2.722 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536496 1038550056 /nfs/dbraw/zinc/55/00/56/1038550056.db2.gz HXYWGGOSQNDYRV-WTNASJBWSA-N 1 3 374.525 2.722 20 0 FFADHO CCN1CCO[C@@H]2C[N@@H+]([C@H]3CCN(Cc4ccccc4)[C@H](C)C3)C[C@@H]2C1 ZINC001256545043 1038551899 /nfs/dbraw/zinc/55/18/99/1038551899.db2.gz BHNQUPJMDIOKJQ-RYFAJOAYSA-N 1 3 357.542 2.692 20 0 FFADHO CCN1CCO[C@@H]2C[N@H+]([C@H]3CCN(Cc4ccccc4)[C@H](C)C3)C[C@@H]2C1 ZINC001256545043 1038551904 /nfs/dbraw/zinc/55/19/04/1038551904.db2.gz BHNQUPJMDIOKJQ-RYFAJOAYSA-N 1 3 357.542 2.692 20 0 FFADHO COC(=O)c1ccc2c(c1)c(C[NH3+])cn2C1CCC(N2CCOCC2)CC1 ZINC001256683509 1038601407 /nfs/dbraw/zinc/60/14/07/1038601407.db2.gz DVWUONWXXWZIJO-UHFFFAOYSA-N 1 3 371.481 2.703 20 0 FFADHO Oc1ccc(Br)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683405 1038601577 /nfs/dbraw/zinc/60/15/77/1038601577.db2.gz AGJZTNNMDKDNMF-UHFFFAOYSA-N 1 3 369.303 2.888 20 0 FFADHO CC(C)N(CC[NH2+]C1CCC(N2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001256687753 1038602613 /nfs/dbraw/zinc/60/26/13/1038602613.db2.gz HZQHFPREDRVDFW-UHFFFAOYSA-N 1 3 369.550 2.865 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC001279064862 1039094392 /nfs/dbraw/zinc/09/43/92/1039094392.db2.gz LKJZFTIOAVJRCY-UHFFFAOYSA-N 1 3 355.482 2.809 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@@H]2CN(Cc3ccc(F)cc3)CCO2)CC1 ZINC001258002824 1039104042 /nfs/dbraw/zinc/10/40/42/1039104042.db2.gz HAIWISSGDRSZCT-OAQYLSRUSA-N 1 3 363.521 2.737 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001245996323 1039182114 /nfs/dbraw/zinc/18/21/14/1039182114.db2.gz VFGQCKJLXPDEEK-GVDBMIGSSA-N 1 3 367.493 2.896 20 0 FFADHO CCOC(=O)CCC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001258122804 1039196756 /nfs/dbraw/zinc/19/67/56/1039196756.db2.gz YACVCLNTFGMAFQ-HFSMHLIXSA-N 1 3 366.546 2.789 20 0 FFADHO CCOC(=O)CCC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001258122804 1039196765 /nfs/dbraw/zinc/19/67/65/1039196765.db2.gz YACVCLNTFGMAFQ-HFSMHLIXSA-N 1 3 366.546 2.789 20 0 FFADHO O[C@H](CN[C@H](C1CCC1)C1C[NH2+]C1)COCc1c(Cl)cccc1Cl ZINC001246022076 1039196816 /nfs/dbraw/zinc/19/68/16/1039196816.db2.gz VCFRNRLBAXGUGP-RDTXWAMCSA-N 1 3 373.324 2.849 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC001246042245 1039212096 /nfs/dbraw/zinc/21/20/96/1039212096.db2.gz DUHNKAQMBJHOKE-FCHUYYIVSA-N 1 3 354.494 2.708 20 0 FFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCC(COc2ccccc2)CC1 ZINC001246042245 1039212113 /nfs/dbraw/zinc/21/21/13/1039212113.db2.gz DUHNKAQMBJHOKE-FCHUYYIVSA-N 1 3 354.494 2.708 20 0 FFADHO O[C@]1(C[NH+]2CCC(c3cccc(Br)c3)CC2)CCCNC1 ZINC001246050006 1039219548 /nfs/dbraw/zinc/21/95/48/1039219548.db2.gz UOZNCLAEYDTUBE-QGZVFWFLSA-N 1 3 353.304 2.743 20 0 FFADHO C[N@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@H]1N ZINC001246066298 1039234739 /nfs/dbraw/zinc/23/47/39/1039234739.db2.gz QANOFXJZMCEEHX-IPMKNSEASA-N 1 3 362.514 2.704 20 0 FFADHO C[N@@H+](C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@H]1N ZINC001246066298 1039234751 /nfs/dbraw/zinc/23/47/51/1039234751.db2.gz QANOFXJZMCEEHX-IPMKNSEASA-N 1 3 362.514 2.704 20 0 FFADHO c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCCC[C@@]34CNCCO4)CC2)cc1 ZINC001246161405 1039261972 /nfs/dbraw/zinc/26/19/72/1039261972.db2.gz RIBCOZGQMHPXDD-BHDDXSALSA-N 1 3 357.542 2.932 20 0 FFADHO COc1ccc(C2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246380710 1039329947 /nfs/dbraw/zinc/32/99/47/1039329947.db2.gz MDULCIRKVYJZJO-GOEBONIOSA-N 1 3 357.420 2.546 20 0 FFADHO CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246490357 1039367359 /nfs/dbraw/zinc/36/73/59/1039367359.db2.gz NHBSFLYQBQRWMJ-HBMCJLEFSA-N 1 3 359.558 2.686 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]1CNCCC2 ZINC001246611618 1039414242 /nfs/dbraw/zinc/41/42/42/1039414242.db2.gz UZUCPSQLDNGHQE-HQRMLTQVSA-N 1 3 362.901 2.672 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]1CNCCC2 ZINC001246611618 1039414250 /nfs/dbraw/zinc/41/42/50/1039414250.db2.gz UZUCPSQLDNGHQE-HQRMLTQVSA-N 1 3 362.901 2.672 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+]([C@@H]4CC[C@H](C)NC4)C[C@H]2C3)c1 ZINC001246706824 1039443044 /nfs/dbraw/zinc/44/30/44/1039443044.db2.gz RZCFSVGYCZRLTG-WFEDQXDTSA-N 1 3 366.509 2.808 20 0 FFADHO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+]([C@@H]4CC[C@H](C)NC4)C[C@H]2C3)c1 ZINC001246706824 1039443048 /nfs/dbraw/zinc/44/30/48/1039443048.db2.gz RZCFSVGYCZRLTG-WFEDQXDTSA-N 1 3 366.509 2.808 20 0 FFADHO O=C1C[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CN1c1ccc(F)c(F)c1 ZINC001246767438 1039472384 /nfs/dbraw/zinc/47/23/84/1039472384.db2.gz RAHMTTKIJUCQCH-XBTSVUTOSA-N 1 3 361.436 2.677 20 0 FFADHO CCCN1CCC([NH+]2CCC3(CC2)c2ncc(C)n2CCN3CC)CC1 ZINC001258773071 1039507410 /nfs/dbraw/zinc/50/74/10/1039507410.db2.gz FDQIOEJDNKBFSP-UHFFFAOYSA-N 1 3 359.562 2.693 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN([C@H]3CCc4cc(Cl)cc(Cl)c4C3)C2)C1 ZINC001246873578 1039512038 /nfs/dbraw/zinc/51/20/38/1039512038.db2.gz TUHQUEHJHNUIRT-HOTGVXAUSA-N 1 3 354.325 2.958 20 0 FFADHO COC(=O)[C@H]1C[N@@H+]([C@@H](C)CCc2ccc(Br)cc2)CC[C@@H]1N ZINC001246940050 1039542404 /nfs/dbraw/zinc/54/24/04/1039542404.db2.gz CRMQFWVPHVJKHS-RCBQFDQVSA-N 1 3 369.303 2.592 20 0 FFADHO COC(=O)[C@H]1C[N@H+]([C@@H](C)CCc2ccc(Br)cc2)CC[C@@H]1N ZINC001246940050 1039542418 /nfs/dbraw/zinc/54/24/18/1039542418.db2.gz CRMQFWVPHVJKHS-RCBQFDQVSA-N 1 3 369.303 2.592 20 0 FFADHO CCCCOC[C@H](O)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001252511109 1039569318 /nfs/dbraw/zinc/56/93/18/1039569318.db2.gz UYNPHFNKRVNPPR-LJQANCHMSA-N 1 3 350.503 2.745 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001210499300 1039585452 /nfs/dbraw/zinc/58/54/52/1039585452.db2.gz VXTISKNEJTYZEO-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001210499300 1039585465 /nfs/dbraw/zinc/58/54/65/1039585465.db2.gz VXTISKNEJTYZEO-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[N@H+]3CCC[C@H](C)C3)C2)cc1 ZINC001211296438 1040068855 /nfs/dbraw/zinc/06/88/55/1040068855.db2.gz NFMUPGCLVVOMQB-ICSRJNTNSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC001211296438 1040068869 /nfs/dbraw/zinc/06/88/69/1040068869.db2.gz NFMUPGCLVVOMQB-ICSRJNTNSA-N 1 3 358.530 2.600 20 0 FFADHO C[C@@H]1CN(CCOCC2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444249 1040204246 /nfs/dbraw/zinc/20/42/46/1040204246.db2.gz STVYXCGVHLOVAO-UYAOXDASSA-N 1 3 365.562 2.506 20 0 FFADHO COCc1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)s1 ZINC001278724990 1040211724 /nfs/dbraw/zinc/21/17/24/1040211724.db2.gz LFUTZKSMHOZWDF-UHFFFAOYSA-N 1 3 360.527 2.689 20 0 FFADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)C1CCCCC1 ZINC001259813290 1040219379 /nfs/dbraw/zinc/21/93/79/1040219379.db2.gz MQYYIVKBIDQANV-UHFFFAOYSA-N 1 3 361.596 2.635 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCCC2(CCN(Cc3ccncc3Cl)CC2)C1 ZINC001278729035 1040233634 /nfs/dbraw/zinc/23/36/34/1040233634.db2.gz GPKJHWXTZNMWFT-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCCC2(CCN(Cc3ccncc3Cl)CC2)C1 ZINC001278729035 1040233649 /nfs/dbraw/zinc/23/36/49/1040233649.db2.gz GPKJHWXTZNMWFT-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CCc1cc(C[N@H+]2C[C@@H]3CCN(Cc4cc(C)nn4C)CC[C@@H]3C2)on1 ZINC001278505785 1040265212 /nfs/dbraw/zinc/26/52/12/1040265212.db2.gz YJSDJHLAHAEAGW-CALCHBBNSA-N 1 3 357.502 2.623 20 0 FFADHO CCc1cc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(C)nn4C)CC[C@@H]3C2)on1 ZINC001278505785 1040265225 /nfs/dbraw/zinc/26/52/25/1040265225.db2.gz YJSDJHLAHAEAGW-CALCHBBNSA-N 1 3 357.502 2.623 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC(C)(C)C[NH+]3CCCC3)C2)cc1 ZINC001248459703 1040283542 /nfs/dbraw/zinc/28/35/42/1040283542.db2.gz JJOONCJLBNXLDP-HXUWFJFHSA-N 1 3 372.557 2.991 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253687067 1040318225 /nfs/dbraw/zinc/31/82/25/1040318225.db2.gz SDTGPJDVMWHGRA-VAMGGRTRSA-N 1 3 374.525 2.533 20 0 FFADHO CC(C)(C)OC(=O)[C@H](O)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253687067 1040318237 /nfs/dbraw/zinc/31/82/37/1040318237.db2.gz SDTGPJDVMWHGRA-VAMGGRTRSA-N 1 3 374.525 2.533 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1C1CC1)CC2 ZINC001278739564 1040362283 /nfs/dbraw/zinc/36/22/83/1040362283.db2.gz XKHLBWWHNFDGJA-UHFFFAOYSA-N 1 3 355.526 2.940 20 0 FFADHO Cn1c(=O)cccc1CN1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001248806269 1040442356 /nfs/dbraw/zinc/44/23/56/1040442356.db2.gz ZVSBHVPVHCUWEA-LJQANCHMSA-N 1 3 355.482 2.855 20 0 FFADHO Cn1c(=O)cccc1CN1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001248806269 1040442364 /nfs/dbraw/zinc/44/23/64/1040442364.db2.gz ZVSBHVPVHCUWEA-LJQANCHMSA-N 1 3 355.482 2.855 20 0 FFADHO Cc1nc(C(F)(F)F)ccc1CN1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001278788763 1040743034 /nfs/dbraw/zinc/74/30/34/1040743034.db2.gz BCIKYSYPBJMCJX-UHFFFAOYSA-N 1 3 370.463 2.868 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655711 1040764116 /nfs/dbraw/zinc/76/41/16/1040764116.db2.gz YYLAIXGYXXYDMS-RTBURBONSA-N 1 3 353.551 2.503 20 0 FFADHO CCOC(=O)CC1([NH3+])CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254623799 1040846384 /nfs/dbraw/zinc/84/63/84/1040846384.db2.gz PNGYYFUJJCNXTI-UHFFFAOYSA-N 1 3 363.477 2.541 20 0 FFADHO CCOC(=O)CC1(N)CC[NH+](C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254623799 1040846394 /nfs/dbraw/zinc/84/63/94/1040846394.db2.gz PNGYYFUJJCNXTI-UHFFFAOYSA-N 1 3 363.477 2.541 20 0 FFADHO C[C@H](c1ccccc1)N(C(=S)NCC[NH+](C)C)[C@@H]1CN2CCC1CC2 ZINC001249837351 1041030493 /nfs/dbraw/zinc/03/04/93/1041030493.db2.gz ZPOTUVJUHQDUHW-VQIMIIECSA-N 1 3 360.571 2.580 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914829 1041069683 /nfs/dbraw/zinc/06/96/83/1041069683.db2.gz YYHBYQMPXQQWID-WOJBJXKFSA-N 1 3 365.562 2.648 20 0 FFADHO C[NH+](C)CCN1CCC2(CN(Cc3ccccc3-c3nccs3)C2)C1 ZINC001278552155 1041118031 /nfs/dbraw/zinc/11/80/31/1041118031.db2.gz QNNPJFYLVYBPEL-UHFFFAOYSA-N 1 3 356.539 2.879 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@H+](CC)C3)c2)CC1 ZINC001255082827 1041132007 /nfs/dbraw/zinc/13/20/07/1041132007.db2.gz BEPSULXXICFGRM-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@@H+](CC)C3)c2)CC1 ZINC001255082827 1041132015 /nfs/dbraw/zinc/13/20/15/1041132015.db2.gz BEPSULXXICFGRM-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO c1ccc(C[N@H+]2CC[C@@H](N3CC4(C3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC001255115035 1041151505 /nfs/dbraw/zinc/15/15/05/1041151505.db2.gz SEDYOXVFASISRU-JOCHJYFZSA-N 1 3 362.521 2.864 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@@H](N3CC4(C3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC001255115035 1041151514 /nfs/dbraw/zinc/15/15/14/1041151514.db2.gz SEDYOXVFASISRU-JOCHJYFZSA-N 1 3 362.521 2.864 20 0 FFADHO CN(C)C(=O)N1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255128595 1041161679 /nfs/dbraw/zinc/16/16/79/1041161679.db2.gz DXBSRDFVNCIZBS-XSDIEEQYSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)C(=O)N1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255128595 1041161688 /nfs/dbraw/zinc/16/16/88/1041161688.db2.gz DXBSRDFVNCIZBS-XSDIEEQYSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)[C@H](c1ccccc1)N(C)C ZINC001261376765 1041201528 /nfs/dbraw/zinc/20/15/28/1041201528.db2.gz XVBFJHUACXMPFG-PKOBYXMFSA-N 1 3 358.530 2.853 20 0 FFADHO CCOC(=O)C1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001255253356 1041233721 /nfs/dbraw/zinc/23/37/21/1041233721.db2.gz JRQLYGCPACQDDX-UHFFFAOYSA-N 1 3 352.519 2.589 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001214610595 1041504180 /nfs/dbraw/zinc/50/41/80/1041504180.db2.gz AHZIKDMMBWCUHM-QRQLOZEOSA-N 1 3 363.571 2.990 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC001262559366 1041719755 /nfs/dbraw/zinc/71/97/55/1041719755.db2.gz KEKRMDGPQYESSA-ZACQAIPSSA-N 1 3 364.559 2.757 20 0 FFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)Cc1ccc(F)cc1 ZINC001262563411 1041722553 /nfs/dbraw/zinc/72/25/53/1041722553.db2.gz DIQVPHKAJYBIRI-OAQYLSRUSA-N 1 3 357.473 2.626 20 0 FFADHO [NH3+]C1CC2(C1)CC(NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C2 ZINC001262573649 1041731455 /nfs/dbraw/zinc/73/14/55/1041731455.db2.gz ZXOVATXYUQHZQG-MBEFBZSESA-N 1 3 356.514 2.783 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001215972903 1041920952 /nfs/dbraw/zinc/92/09/52/1041920952.db2.gz CTGBUFCXGORVQE-UYAOXDASSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001215973190 1041920985 /nfs/dbraw/zinc/92/09/85/1041920985.db2.gz XCTMQSZBQVUPGX-NVXWUHKLSA-N 1 3 359.505 2.980 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(C)cc2Cl)C1 ZINC001216225280 1041982514 /nfs/dbraw/zinc/98/25/14/1041982514.db2.gz DEQQMHNROQCRTK-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(C)cc2Cl)C1 ZINC001216225280 1041982517 /nfs/dbraw/zinc/98/25/17/1041982517.db2.gz DEQQMHNROQCRTK-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(Cl)ccc2OC)C1 ZINC001216229813 1041984155 /nfs/dbraw/zinc/98/41/55/1041984155.db2.gz RKEOGQJZSDWMED-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(Cl)ccc2OC)C1 ZINC001216229813 1041984159 /nfs/dbraw/zinc/98/41/59/1041984159.db2.gz RKEOGQJZSDWMED-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC001263109561 1042108699 /nfs/dbraw/zinc/10/86/99/1042108699.db2.gz APWNISOJWSXSHK-BJMVGYQFSA-N 1 3 351.450 2.882 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CN(CC)CC[C@H]1c1ccc(OC)cc1 ZINC001264041758 1042592405 /nfs/dbraw/zinc/59/24/05/1042592405.db2.gz BOIONBGMOMUFSN-PMACEKPBSA-N 1 3 361.530 2.721 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CN(CC)CC[C@H]1c1ccc(OC)cc1 ZINC001264041758 1042592410 /nfs/dbraw/zinc/59/24/10/1042592410.db2.gz BOIONBGMOMUFSN-PMACEKPBSA-N 1 3 361.530 2.721 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001264478471 1042689165 /nfs/dbraw/zinc/68/91/65/1042689165.db2.gz CVMHXCGJIMSPFV-OWCLPIDISA-N 1 3 363.468 2.935 20 0 FFADHO CCOCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001264478812 1042689836 /nfs/dbraw/zinc/68/98/36/1042689836.db2.gz QVWDTLHYMOSSEB-QKLQHJQFSA-N 1 3 371.541 2.500 20 0 FFADHO Cc1ccncc1C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001264577856 1042726352 /nfs/dbraw/zinc/72/63/52/1042726352.db2.gz MZBOFMSAZGOXKX-YLJYHZDGSA-N 1 3 369.513 2.853 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCN1C[C@@H]1CCCCO1 ZINC001264709508 1042793177 /nfs/dbraw/zinc/79/31/77/1042793177.db2.gz XKUWJZCKYSLBGF-NEWSRXKRSA-N 1 3 365.562 2.788 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCN1C[C@@H]1CCCCO1 ZINC001264709508 1042793182 /nfs/dbraw/zinc/79/31/82/1042793182.db2.gz XKUWJZCKYSLBGF-NEWSRXKRSA-N 1 3 365.562 2.788 20 0 FFADHO Oc1ccc(C[N@@H+]2CCC[C@]3(CCCN(CCn4ccnc4)C3)C2)cc1 ZINC001279184604 1042937094 /nfs/dbraw/zinc/93/70/94/1042937094.db2.gz WAXDUWAHEBKFTD-NRFANRHFSA-N 1 3 354.498 2.967 20 0 FFADHO Oc1ccc(C[N@H+]2CCC[C@]3(CCCN(CCn4ccnc4)C3)C2)cc1 ZINC001279184604 1042937096 /nfs/dbraw/zinc/93/70/96/1042937096.db2.gz WAXDUWAHEBKFTD-NRFANRHFSA-N 1 3 354.498 2.967 20 0 FFADHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3ccc(O)cc3Cl)(C1)CCC2 ZINC001279213405 1042947036 /nfs/dbraw/zinc/94/70/36/1042947036.db2.gz DRZQDSDVIJUHIV-MOPGFXCFSA-N 1 3 365.905 2.658 20 0 FFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2ccncc2)cc1 ZINC001279234506 1042958695 /nfs/dbraw/zinc/95/86/95/1042958695.db2.gz YHBXVDWDYLFBNR-SZPZYZBQSA-N 1 3 350.510 2.959 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3c[nH]c4cccnc34)(C1)CCC2 ZINC001279271582 1042977481 /nfs/dbraw/zinc/97/74/81/1042977481.db2.gz YXKVBRXJKGOQPE-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO c1cc2cc(C[NH+]3CCC4(CCN(Cc5cn[nH]c5)C4)CC3)ncc2[nH]1 ZINC001279304592 1042992532 /nfs/dbraw/zinc/99/25/32/1042992532.db2.gz FJYPWCFPMVHKOD-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001279320534 1042999248 /nfs/dbraw/zinc/99/92/48/1042999248.db2.gz RGYARUSJBQITQD-ZOSBBBERSA-N 1 3 364.436 2.925 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001279320534 1042999251 /nfs/dbraw/zinc/99/92/51/1042999251.db2.gz RGYARUSJBQITQD-ZOSBBBERSA-N 1 3 364.436 2.925 20 0 FFADHO COc1ccc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)c(Cl)c1 ZINC001279321123 1042999602 /nfs/dbraw/zinc/99/96/02/1042999602.db2.gz BXZOXPDSFYZANK-UHFFFAOYSA-N 1 3 351.922 2.808 20 0 FFADHO Nc1cccc(F)c1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279329051 1043002571 /nfs/dbraw/zinc/00/25/71/1043002571.db2.gz PYAUDOBZHVVJQX-UHFFFAOYSA-N 1 3 357.477 2.593 20 0 FFADHO Nc1cccc(F)c1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279329051 1043002575 /nfs/dbraw/zinc/00/25/75/1043002575.db2.gz PYAUDOBZHVVJQX-UHFFFAOYSA-N 1 3 357.477 2.593 20 0 FFADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc(C(C)(C)C)cc4)CC3)[C@@H]2C1 ZINC001279331982 1043006514 /nfs/dbraw/zinc/00/65/14/1043006514.db2.gz WBFOOQCFEZKDIQ-RTBURBONSA-N 1 3 355.526 2.626 20 0 FFADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc(C(C)(C)C)cc4)CC3)[C@@H]2C1 ZINC001279331982 1043006516 /nfs/dbraw/zinc/00/65/16/1043006516.db2.gz WBFOOQCFEZKDIQ-RTBURBONSA-N 1 3 355.526 2.626 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1c(Cl)cncc1Cl)CC2 ZINC001279391305 1043046630 /nfs/dbraw/zinc/04/66/30/1043046630.db2.gz YYVWLCDFDBXMDE-UHFFFAOYSA-N 1 3 357.329 2.848 20 0 FFADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc2ncccc12 ZINC001279396072 1043052277 /nfs/dbraw/zinc/05/22/77/1043052277.db2.gz UAPYHQGWGCWUKI-YQQQUEKLSA-N 1 3 355.482 2.940 20 0 FFADHO CCOc1ncccc1CN1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279405941 1043065775 /nfs/dbraw/zinc/06/57/75/1043065775.db2.gz CTIYPENCUFLPQY-OAQYLSRUSA-N 1 3 360.546 2.720 20 0 FFADHO CCCCc1ccc(CN2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)cc1 ZINC001279415185 1043083558 /nfs/dbraw/zinc/08/35/58/1043083558.db2.gz RTESNZURCIEUHZ-WOJBJXKFSA-N 1 3 355.526 2.671 20 0 FFADHO CCCCc1ccc(CN2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)cc1 ZINC001279415185 1043083568 /nfs/dbraw/zinc/08/35/68/1043083568.db2.gz RTESNZURCIEUHZ-WOJBJXKFSA-N 1 3 355.526 2.671 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3c(C)cc(F)cc3C)CC[C@@H]2C1 ZINC001237320186 1043107066 /nfs/dbraw/zinc/10/70/66/1043107066.db2.gz PKPIXEZUVMMNJU-YLJYHZDGSA-N 1 3 350.478 2.612 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3c(C)cc(F)cc3C)CC[C@@H]2C1 ZINC001237320186 1043107070 /nfs/dbraw/zinc/10/70/70/1043107070.db2.gz PKPIXEZUVMMNJU-YLJYHZDGSA-N 1 3 350.478 2.612 20 0 FFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]C[C@@H]4CCCN(C)C4)(C2)CCC3)n(C)n1 ZINC001279502131 1043197072 /nfs/dbraw/zinc/19/70/72/1043197072.db2.gz MWOKYXFCXNLSLW-TYPHKJRUSA-N 1 3 359.562 2.595 20 0 FFADHO Cc1nc(C)c(CN2CCC3(CCC[N@H+](CCn4ccnc4)C3)CC2)o1 ZINC001279638584 1043381169 /nfs/dbraw/zinc/38/11/69/1043381169.db2.gz MRXXVOIUASKGJR-UHFFFAOYSA-N 1 3 357.502 2.866 20 0 FFADHO Cc1nc(C)c(CN2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)o1 ZINC001279638584 1043381178 /nfs/dbraw/zinc/38/11/78/1043381178.db2.gz MRXXVOIUASKGJR-UHFFFAOYSA-N 1 3 357.502 2.866 20 0 FFADHO CCO[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[N@@H+]2C1 ZINC001237876410 1043411362 /nfs/dbraw/zinc/41/13/62/1043411362.db2.gz GKURTAYIAUEJPT-VQTJNVASSA-N 1 3 355.526 2.983 20 0 FFADHO CCO[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)C(C(C)C)=NCC4)CC[N@H+]2C1 ZINC001237876410 1043411364 /nfs/dbraw/zinc/41/13/64/1043411364.db2.gz GKURTAYIAUEJPT-VQTJNVASSA-N 1 3 355.526 2.983 20 0 FFADHO COCCN(C)C(=O)C1CC[NH+](C2CCN(CCC(C)(C)C)CC2)CC1 ZINC001279879643 1043830675 /nfs/dbraw/zinc/83/06/75/1043830675.db2.gz GSWWSGCFZXNONE-UHFFFAOYSA-N 1 3 367.578 2.704 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)C2)cc1 ZINC001311879150 1043994514 /nfs/dbraw/zinc/99/45/14/1043994514.db2.gz XWQKVGFMBUVYON-UFYCRDLUSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1cc(Cl)ccc1NC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364135 1044104543 /nfs/dbraw/zinc/10/45/43/1044104543.db2.gz VTIFPUBSYINFRP-AWEZNQCLSA-N 1 3 352.935 2.809 20 0 FFADHO FC(F)(F)c1ccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239361573 1044104712 /nfs/dbraw/zinc/10/47/12/1044104712.db2.gz AMKORLKAVZXMCS-CQSZACIVSA-N 1 3 372.460 2.866 20 0 FFADHO CC/C=C\CC[NH+]1CCC(N2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001280031005 1044106914 /nfs/dbraw/zinc/10/69/14/1044106914.db2.gz CPYCWWHGXMIEJW-ARJAWSKDSA-N 1 3 357.489 2.900 20 0 FFADHO S=C(NCCN1CCCCC1)N1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001239416892 1044117188 /nfs/dbraw/zinc/11/71/88/1044117188.db2.gz FBFSVNCZMKTNSW-UHFFFAOYSA-N 1 3 366.619 2.983 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001313135309 1044247537 /nfs/dbraw/zinc/24/75/37/1044247537.db2.gz CACXQCNAIQOJQC-UYAOXDASSA-N 1 3 360.546 2.736 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313135309 1044247549 /nfs/dbraw/zinc/24/75/49/1044247549.db2.gz CACXQCNAIQOJQC-UYAOXDASSA-N 1 3 360.546 2.736 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2CCc1cccc(C)c1 ZINC001280150083 1044306536 /nfs/dbraw/zinc/30/65/36/1044306536.db2.gz YBBWIJPVERJZIQ-IRLDBZIGSA-N 1 3 357.542 2.802 20 0 FFADHO CC[NH+](CC)[C@H](C)Cn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001313652913 1044402097 /nfs/dbraw/zinc/40/20/97/1044402097.db2.gz ZZUPKDTUHTYRBN-GOSISDBHSA-N 1 3 364.582 2.910 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@H]3C(=O)N3CCCCO3)CC2)CCCC1 ZINC001280234937 1044439691 /nfs/dbraw/zinc/43/96/91/1044439691.db2.gz GGSQSDOHRVDOEB-SFHVURJKSA-N 1 3 363.546 2.765 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2N2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC001319829017 1045281737 /nfs/dbraw/zinc/28/17/37/1045281737.db2.gz PHPQWGNXBVNVKX-PZJWPPBQSA-N 1 3 356.558 2.745 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC001319829017 1045281741 /nfs/dbraw/zinc/28/17/41/1045281741.db2.gz PHPQWGNXBVNVKX-PZJWPPBQSA-N 1 3 356.558 2.745 20 0 FFADHO C[C@H]1CN(Cc2ccccc2N2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001319829017 1045281746 /nfs/dbraw/zinc/28/17/46/1045281746.db2.gz PHPQWGNXBVNVKX-PZJWPPBQSA-N 1 3 356.558 2.745 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)o1 ZINC001318465717 1045307436 /nfs/dbraw/zinc/30/74/36/1045307436.db2.gz RQNURIXSTLICBE-MSOLQXFVSA-N 1 3 350.507 2.534 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H](C)OC3CCCCC3)CC2)CC1 ZINC001325449678 1046512142 /nfs/dbraw/zinc/51/21/42/1046512142.db2.gz SRXGDTQRWKZKBV-SFHVURJKSA-N 1 3 365.562 2.743 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H](C)OC3CCCCC3)CC2)CC1 ZINC001325449678 1046512153 /nfs/dbraw/zinc/51/21/53/1046512153.db2.gz SRXGDTQRWKZKBV-SFHVURJKSA-N 1 3 365.562 2.743 20 0 FFADHO Cc1nc(N2CCCCC2)sc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001327032333 1047166489 /nfs/dbraw/zinc/16/64/89/1047166489.db2.gz ZOAFOZXZCLGLQQ-UHFFFAOYSA-N 1 3 365.591 2.557 20 0 FFADHO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327091194 1047185331 /nfs/dbraw/zinc/18/53/31/1047185331.db2.gz YYYOQCDSJCMWAM-SJORKVTESA-N 1 3 359.514 2.727 20 0 FFADHO CC(C)(C)N1CCN(c2nnc(C3CC3)n2CCC[NH+]2CCCC2)CC1 ZINC001287042787 1047202938 /nfs/dbraw/zinc/20/29/38/1047202938.db2.gz HNYGJNULJMPAFT-UHFFFAOYSA-N 1 3 360.550 2.562 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CC3CCC(O)CC3)C2)ccn1 ZINC001331303671 1047851204 /nfs/dbraw/zinc/85/12/04/1047851204.db2.gz YAVVZHVVCBDHDY-CNBHCMJISA-N 1 3 361.530 2.926 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CCC(O)CC3)C2)ccn1 ZINC001331303671 1047851216 /nfs/dbraw/zinc/85/12/16/1047851216.db2.gz YAVVZHVVCBDHDY-CNBHCMJISA-N 1 3 361.530 2.926 20 0 FFADHO O=C(C1CCN(C[C@H]2CCC[NH2+]C2)CC1)N(Cc1ccccc1)C1CC1 ZINC001327865363 1048072278 /nfs/dbraw/zinc/07/22/78/1048072278.db2.gz QELFSLYQBXNUNA-IBGZPJMESA-N 1 3 355.526 2.889 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cncc(F)c2)C(C)(C)C)CC[N@@H+]1C ZINC001332806686 1048571773 /nfs/dbraw/zinc/57/17/73/1048571773.db2.gz GRYRYDNRQHCMIK-KSZLIROESA-N 1 3 364.509 2.572 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2cncc(F)c2)C(C)(C)C)CC[N@H+]1C ZINC001332806686 1048571787 /nfs/dbraw/zinc/57/17/87/1048571787.db2.gz GRYRYDNRQHCMIK-KSZLIROESA-N 1 3 364.509 2.572 20 0 FFADHO [NH3+]CCCn1ccc2cc(-c3nc([C@H]4CN5CCC4CC5)no3)ccc21 ZINC001329432262 1048717699 /nfs/dbraw/zinc/71/76/99/1048717699.db2.gz DJTUZXRZCNBJBG-KRWDZBQOSA-N 1 3 351.454 2.849 20 0 FFADHO COc1cccc([C@@H]2CC(=O)N(CN3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)C2)c1 ZINC001334727050 1049548812 /nfs/dbraw/zinc/54/88/12/1049548812.db2.gz XUDLYMVOFVFMAL-NMLBUPMWSA-N 1 3 371.525 2.631 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001295977839 1050007755 /nfs/dbraw/zinc/00/77/55/1050007755.db2.gz IWYPGGPBVIYTFV-KSZLIROESA-N 1 3 362.566 2.626 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001541560848 1071123003 /nfs/dbraw/zinc/12/30/03/1071123003.db2.gz FICAUTDOHJMDEY-UHFFFAOYSA-N 1 3 362.566 2.521 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)C1)N(C)C ZINC001316660667 1050098279 /nfs/dbraw/zinc/09/82/79/1050098279.db2.gz TZZNGAWHFAOUCV-UHOSZYNNSA-N 1 3 361.530 2.718 20 0 FFADHO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541563624 1071123470 /nfs/dbraw/zinc/12/34/70/1071123470.db2.gz TYQGOQBNCDCPNM-KRWDZBQOSA-N 1 3 364.582 2.595 20 0 FFADHO CN(C(=O)c1ccc2c(c1)OCC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001341806664 1050420483 /nfs/dbraw/zinc/42/04/83/1050420483.db2.gz VOELOJUJCPJKBZ-FQEVSTJZSA-N 1 3 365.477 2.515 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001340064844 1050473413 /nfs/dbraw/zinc/47/34/13/1050473413.db2.gz WWJXQBACGNYUSI-MSOLQXFVSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001340064844 1050473418 /nfs/dbraw/zinc/47/34/18/1050473418.db2.gz WWJXQBACGNYUSI-MSOLQXFVSA-N 1 3 371.525 2.895 20 0 FFADHO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001303479687 1051363871 /nfs/dbraw/zinc/36/38/71/1051363871.db2.gz ZAJNUKVJZCTPBT-IEBWSBKVSA-N 1 3 361.505 2.838 20 0 FFADHO C[NH+](C)CC[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001303479691 1051363890 /nfs/dbraw/zinc/36/38/90/1051363890.db2.gz ZAJNUKVJZCTPBT-PKOBYXMFSA-N 1 3 361.505 2.838 20 0 FFADHO Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H](c1cccs1)N(C)C ZINC001304806647 1051710931 /nfs/dbraw/zinc/71/09/31/1051710931.db2.gz FLNJMFLNCXOZQI-PVAVHDDUSA-N 1 3 374.558 2.624 20 0 FFADHO Cc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](c1cccs1)N(C)C ZINC001304806647 1051710943 /nfs/dbraw/zinc/71/09/43/1051710943.db2.gz FLNJMFLNCXOZQI-PVAVHDDUSA-N 1 3 374.558 2.624 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccc(C)nc1C ZINC001316737241 1051916584 /nfs/dbraw/zinc/91/65/84/1051916584.db2.gz WRWZBLGVNSWHFN-RBUKOAKNSA-N 1 3 358.530 2.509 20 0 FFADHO [NH3+]CCc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC001343541909 1052295118 /nfs/dbraw/zinc/29/51/18/1052295118.db2.gz IKIZRHXZCAHZJA-UHFFFAOYSA-N 1 3 365.521 2.969 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3ccccc3nc2OC)CC1 ZINC001308251222 1052437650 /nfs/dbraw/zinc/43/76/50/1052437650.db2.gz OOBNVOBGZBCFIM-QGZVFWFLSA-N 1 3 356.514 2.607 20 0 FFADHO CC(C)C[C@H](NCc1cnc2c(F)cccc2c1)C(=O)NCC[NH+](C)C ZINC001308361331 1052450838 /nfs/dbraw/zinc/45/08/38/1052450838.db2.gz UGKPWKTWUXLEIS-SFHVURJKSA-N 1 3 360.477 2.556 20 0 FFADHO COC(=O)[C@@H]1[C@@H](CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1(F)F ZINC001308592968 1052474569 /nfs/dbraw/zinc/47/45/69/1052474569.db2.gz XORSTCXCONLBRA-MSOLQXFVSA-N 1 3 366.452 2.885 20 0 FFADHO COC(=O)[C@@H]1[C@@H](CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1(F)F ZINC001308592968 1052474572 /nfs/dbraw/zinc/47/45/72/1052474572.db2.gz XORSTCXCONLBRA-MSOLQXFVSA-N 1 3 366.452 2.885 20 0 FFADHO CC(C)CC[NH+]1CCC(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC001308747389 1052494641 /nfs/dbraw/zinc/49/46/41/1052494641.db2.gz NGTPMEOVIFWHFV-FYYLOGMGSA-N 1 3 373.585 2.970 20 0 FFADHO C[N@@H+]1CCC[C@@H](c2nnc(N3CCN(C4CCCC4)CC3)n2CC2CC2)C1 ZINC001346631959 1053169692 /nfs/dbraw/zinc/16/96/92/1053169692.db2.gz IPIOSMRPIGLJDK-GOSISDBHSA-N 1 3 372.561 2.562 20 0 FFADHO C[N@H+]1CCC[C@@H](c2nnc(N3CCN(C4CCCC4)CC3)n2CC2CC2)C1 ZINC001346631959 1053169695 /nfs/dbraw/zinc/16/96/95/1053169695.db2.gz IPIOSMRPIGLJDK-GOSISDBHSA-N 1 3 372.561 2.562 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC001347297685 1053809075 /nfs/dbraw/zinc/80/90/75/1053809075.db2.gz MLBLQLOBUQERPQ-SFHVURJKSA-N 1 3 372.557 2.906 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC001347297685 1053809091 /nfs/dbraw/zinc/80/90/91/1053809091.db2.gz MLBLQLOBUQERPQ-SFHVURJKSA-N 1 3 372.557 2.906 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(F)(F)CC[C@H]3C)CC2)CC1 ZINC001347558436 1054103567 /nfs/dbraw/zinc/10/35/67/1054103567.db2.gz OCMWXFDAICSLSZ-OAHLLOKOSA-N 1 3 357.489 2.829 20 0 FFADHO O[C@@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1ccc(Cl)cc1Cl ZINC001336839082 1054273276 /nfs/dbraw/zinc/27/32/76/1054273276.db2.gz JLBHMIVGQDPOCK-ZNMIVQPWSA-N 1 3 359.297 2.950 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001543653724 1071516293 /nfs/dbraw/zinc/51/62/93/1071516293.db2.gz VEFGQCLTIUCJPL-WLRLJWMZSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001543653724 1071516302 /nfs/dbraw/zinc/51/63/02/1071516302.db2.gz VEFGQCLTIUCJPL-WLRLJWMZSA-N 1 3 355.526 2.888 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3ccsc3)CC2)CC1 ZINC001349736330 1055440722 /nfs/dbraw/zinc/44/07/22/1055440722.db2.gz QRHCZYASXWDHMY-UHFFFAOYSA-N 1 3 363.571 2.993 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001356560596 1055581829 /nfs/dbraw/zinc/58/18/29/1055581829.db2.gz VLPKFTBCEVRVCD-TZIWHRDSSA-N 1 3 356.514 2.751 20 0 FFADHO C[C@@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000849087559 1055635377 /nfs/dbraw/zinc/63/53/77/1055635377.db2.gz AVQUKPJRIZFXIC-IRLDBZIGSA-N 1 3 370.541 2.970 20 0 FFADHO C[C@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCCC[C@H]1O ZINC000849096763 1055639328 /nfs/dbraw/zinc/63/93/28/1055639328.db2.gz QYRWGCPGMUDEGY-TZIWHRDSSA-N 1 3 358.530 2.706 20 0 FFADHO CSCC[C@H]([NH3+])CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC001357571544 1055949978 /nfs/dbraw/zinc/94/99/78/1055949978.db2.gz BBLHLLGLWNPAQY-INIZCTEOSA-N 1 3 364.559 2.626 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC001353313925 1056289676 /nfs/dbraw/zinc/28/96/76/1056289676.db2.gz DSIRLOYJBIDWNS-DOTOQJQBSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC001353313925 1056289691 /nfs/dbraw/zinc/28/96/91/1056289691.db2.gz DSIRLOYJBIDWNS-DOTOQJQBSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)Cn1ccnc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849098932 1056759081 /nfs/dbraw/zinc/75/90/81/1056759081.db2.gz RHOMWRGTFBQPPJ-UHFFFAOYSA-N 1 3 368.529 2.818 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001502252816 1058795839 /nfs/dbraw/zinc/79/58/39/1058795839.db2.gz BZLKZUMHEHLBAM-KSZLIROESA-N 1 3 374.577 2.806 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(NCc3cscn3)CC2)CC[N@@H+]1C ZINC001502494518 1058862784 /nfs/dbraw/zinc/86/27/84/1058862784.db2.gz HFGCZXNBUCIVGJ-DLBZAZTESA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(NCc3cscn3)CC2)CC[N@H+]1C ZINC001502494518 1058862802 /nfs/dbraw/zinc/86/28/02/1058862802.db2.gz HFGCZXNBUCIVGJ-DLBZAZTESA-N 1 3 364.559 2.734 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001354670240 1059345184 /nfs/dbraw/zinc/34/51/84/1059345184.db2.gz LLRNZEHESOKTDE-KRWDZBQOSA-N 1 3 363.465 2.538 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001521138642 1060423921 /nfs/dbraw/zinc/42/39/21/1060423921.db2.gz NWNJCNMXYFGPOX-SFHVURJKSA-N 1 3 362.566 2.664 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001521138642 1060423931 /nfs/dbraw/zinc/42/39/31/1060423931.db2.gz NWNJCNMXYFGPOX-SFHVURJKSA-N 1 3 362.566 2.664 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001511889632 1060461645 /nfs/dbraw/zinc/46/16/45/1060461645.db2.gz LJUAKJFKIBNQDX-GOSISDBHSA-N 1 3 374.577 2.916 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001511889632 1060461650 /nfs/dbraw/zinc/46/16/50/1060461650.db2.gz LJUAKJFKIBNQDX-GOSISDBHSA-N 1 3 374.577 2.916 20 0 FFADHO CC(C)(C)[C@@]1(CNCCN2CCNC2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001462584689 1061682204 /nfs/dbraw/zinc/68/22/04/1061682204.db2.gz FZZBLCWAHRWCSA-OAQYLSRUSA-N 1 3 358.530 2.540 20 0 FFADHO CC(C)(C)[C@@]1(CNCCN2CCNC2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462584689 1061682211 /nfs/dbraw/zinc/68/22/11/1061682211.db2.gz FZZBLCWAHRWCSA-OAQYLSRUSA-N 1 3 358.530 2.540 20 0 FFADHO CC(C)(C)[C@@]1(C[NH2+]CCN2CCNC2=O)CCN(Cc2ccccc2)C1 ZINC001462584689 1061682218 /nfs/dbraw/zinc/68/22/18/1061682218.db2.gz FZZBLCWAHRWCSA-OAQYLSRUSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C2CCCC2)C1 ZINC001478956390 1062161827 /nfs/dbraw/zinc/16/18/27/1062161827.db2.gz AOWAYAWYHBNEGV-PKOBYXMFSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C2CCCC2)C1 ZINC001478956390 1062161839 /nfs/dbraw/zinc/16/18/39/1062161839.db2.gz AOWAYAWYHBNEGV-PKOBYXMFSA-N 1 3 352.567 2.870 20 0 FFADHO CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1OCC ZINC001479542676 1062513283 /nfs/dbraw/zinc/51/32/83/1062513283.db2.gz FUKPOKHITZRGRQ-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3ccc(F)cc3F)CCCC2)CC[N@@H+]1C ZINC001495160793 1063451394 /nfs/dbraw/zinc/45/13/94/1063451394.db2.gz KPDRQGVENFZLDY-RHSMWYFYSA-N 1 3 365.468 2.824 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3ccc(F)cc3F)CCCC2)CC[N@H+]1C ZINC001495160793 1063451403 /nfs/dbraw/zinc/45/14/03/1063451403.db2.gz KPDRQGVENFZLDY-RHSMWYFYSA-N 1 3 365.468 2.824 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001467686366 1063818577 /nfs/dbraw/zinc/81/85/77/1063818577.db2.gz DQLCYFUGNLHTGX-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCC[NH+]3CCCCC3)C2)cc1 ZINC001467983203 1063900324 /nfs/dbraw/zinc/90/03/24/1063900324.db2.gz XIZZCALNFFNNRS-HXUWFJFHSA-N 1 3 358.530 2.745 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001470026691 1064246278 /nfs/dbraw/zinc/24/62/78/1064246278.db2.gz QGSMVLAPUIWYTE-ROUUACIJSA-N 1 3 371.525 2.995 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001470026691 1064246288 /nfs/dbraw/zinc/24/62/88/1064246288.db2.gz QGSMVLAPUIWYTE-ROUUACIJSA-N 1 3 371.525 2.995 20 0 FFADHO Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001470772549 1064446511 /nfs/dbraw/zinc/44/65/11/1064446511.db2.gz QXEONJJPGJMCIC-FPOVZHCZSA-N 1 3 374.573 2.984 20 0 FFADHO Cc1ccccc1C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001470772549 1064446520 /nfs/dbraw/zinc/44/65/20/1064446520.db2.gz QXEONJJPGJMCIC-FPOVZHCZSA-N 1 3 374.573 2.984 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCN1C ZINC001471396594 1064663703 /nfs/dbraw/zinc/66/37/03/1064663703.db2.gz SMWIUEGMODCOJO-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1C ZINC001471396594 1064663710 /nfs/dbraw/zinc/66/37/10/1064663710.db2.gz SMWIUEGMODCOJO-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](Cc1coc2ccccc12)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001474553077 1065549232 /nfs/dbraw/zinc/54/92/32/1065549232.db2.gz VQIVOVWLMWUPDH-QGZVFWFLSA-N 1 3 357.498 2.946 20 0 FFADHO C[C@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCN2CCCCC2)C[C@H]1C ZINC001576740327 1078269168 /nfs/dbraw/zinc/26/91/68/1078269168.db2.gz IMVKNPDONMTPBH-KSZLIROESA-N 1 3 360.550 2.671 20 0 FFADHO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC001576827100 1078278329 /nfs/dbraw/zinc/27/83/29/1078278329.db2.gz OLYKMMLVSPWTJZ-SJLPKXTDSA-N 1 3 370.545 2.677 20 0 FFADHO CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC2CCCCC2)C[C@H]1C ZINC001577760662 1078397134 /nfs/dbraw/zinc/39/71/34/1078397134.db2.gz ZXTDJBQCXANDMB-JFRXWTBNSA-N 1 3 374.577 2.982 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC001578418295 1078471864 /nfs/dbraw/zinc/47/18/64/1078471864.db2.gz DYMBZLURLINSLN-SFHVURJKSA-N 1 3 355.482 2.862 20 0 FFADHO N[C@@H](C[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)CC(F)F ZINC001580131236 1078753965 /nfs/dbraw/zinc/75/39/65/1078753965.db2.gz BTJRJTQDBKDUTI-KGLIPLIRSA-N 1 3 351.363 2.852 20 0 FFADHO [NH3+][C@@H](CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)CC(F)F ZINC001580131236 1078753972 /nfs/dbraw/zinc/75/39/72/1078753972.db2.gz BTJRJTQDBKDUTI-KGLIPLIRSA-N 1 3 351.363 2.852 20 0 FFADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001580334930 1078787819 /nfs/dbraw/zinc/78/78/19/1078787819.db2.gz JTSUVBLIMNKVNG-MJEQTWJJSA-N 1 3 359.297 2.794 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCC2(C[NH2+]C2)CC1 ZINC001580590253 1078831042 /nfs/dbraw/zinc/83/10/42/1078831042.db2.gz IEVSVCAYUKARSI-LJQANCHMSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001551496667 1074741629 /nfs/dbraw/zinc/74/16/29/1074741629.db2.gz DIYQKMFYMKWDRQ-YLZJTPGZSA-N 1 3 374.529 2.539 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001551496669 1074741686 /nfs/dbraw/zinc/74/16/86/1074741686.db2.gz DIYQKMFYMKWDRQ-YQHFOJDRSA-N 1 3 374.529 2.539 20 0 FFADHO CCN(C(=O)NC1CCC2(C[C@@H]2[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001551544808 1074751369 /nfs/dbraw/zinc/75/13/69/1074751369.db2.gz BPPGDESDGYOYCQ-KBNVZVJVSA-N 1 3 370.541 2.952 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC001584248403 1079327605 /nfs/dbraw/zinc/32/76/05/1079327605.db2.gz PWGUDYUSEDWZSF-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC001584248403 1079327608 /nfs/dbraw/zinc/32/76/08/1079327608.db2.gz PWGUDYUSEDWZSF-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC001552157319 1075006066 /nfs/dbraw/zinc/00/60/66/1075006066.db2.gz DUMGPDPVCDJHSP-HKBOAZHASA-N 1 3 355.526 2.575 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4[C@@H](C3)C3CCC4CC3)CC2)CC1 ZINC001552407082 1075072878 /nfs/dbraw/zinc/07/28/78/1075072878.db2.gz CIKBKPCOOIWCSF-BOPNQXPFSA-N 1 3 374.573 2.623 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553412261 1075302521 /nfs/dbraw/zinc/30/25/21/1075302521.db2.gz CXDOPEFCDZVULG-HSALFYBXSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553425286 1075305160 /nfs/dbraw/zinc/30/51/60/1075305160.db2.gz FSWUNSAJYVWEEK-SLFFLAALSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC001553433465 1075306962 /nfs/dbraw/zinc/30/69/62/1075306962.db2.gz FUFKJKRZZOSCDQ-BTHPGYMESA-N 1 3 356.514 2.605 20 0 FFADHO CC[N@@H+]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC001556927462 1075789770 /nfs/dbraw/zinc/78/97/70/1075789770.db2.gz DMAGKYXTMDDHFR-HKUYNNGSSA-N 1 3 361.505 2.980 20 0 FFADHO CC[N@H+]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC001556927462 1075789776 /nfs/dbraw/zinc/78/97/76/1075789776.db2.gz DMAGKYXTMDDHFR-HKUYNNGSSA-N 1 3 361.505 2.980 20 0 FFADHO CN1CCC([NH+]2CCC(NCc3cccc(OC(F)F)c3)CC2)CC1 ZINC001560300492 1076261467 /nfs/dbraw/zinc/26/14/67/1076261467.db2.gz DMOKXZQSHOJWQR-UHFFFAOYSA-N 1 3 353.457 2.936 20 0 FFADHO C[NH+](C)CCOc1cc(CNCc2cc(-n3ccnc3)cs2)ccn1 ZINC001560423686 1076272247 /nfs/dbraw/zinc/27/22/47/1076272247.db2.gz SJBVFCRSSNCVDW-UHFFFAOYSA-N 1 3 357.483 2.559 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([N@H+](C)CC)C1)c1ccsc1 ZINC001563459325 1076555888 /nfs/dbraw/zinc/55/58/88/1076555888.db2.gz LJISNHGVTZFQCS-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([N@@H+](C)CC)C1)c1ccsc1 ZINC001563459325 1076555891 /nfs/dbraw/zinc/55/58/91/1076555891.db2.gz LJISNHGVTZFQCS-SJORKVTESA-N 1 3 352.548 2.867 20 0 FFADHO Cc1cc(C)c(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC001564413413 1076631173 /nfs/dbraw/zinc/63/11/73/1076631173.db2.gz YICHEPDKWHDNEV-IBGZPJMESA-N 1 3 362.562 2.726 20 0 FFADHO Cc1cc(C)c(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC001564413413 1076631175 /nfs/dbraw/zinc/63/11/75/1076631175.db2.gz YICHEPDKWHDNEV-IBGZPJMESA-N 1 3 362.562 2.726 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncs2)C1)N1CCCCC1 ZINC001565894398 1076785707 /nfs/dbraw/zinc/78/57/07/1076785707.db2.gz DLCSJCMFPXGMQS-JKSUJKDBSA-N 1 3 364.559 2.782 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1)C1CCC1 ZINC001565898095 1076787855 /nfs/dbraw/zinc/78/78/55/1076787855.db2.gz KVWIBVUEBCIIGJ-GOEBONIOSA-N 1 3 365.468 2.824 20 0 FFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001566862504 1076986024 /nfs/dbraw/zinc/98/60/24/1076986024.db2.gz CTSTUMJCWUATLJ-ZMMAXQRCSA-N 1 3 365.468 2.612 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccc(C)c(OC)c2)CC[N@@H+]1C ZINC001568483101 1077096110 /nfs/dbraw/zinc/09/61/10/1077096110.db2.gz IFMWYZKZVUKAIP-RBUKOAKNSA-N 1 3 361.530 2.624 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)Cc2ccc(C)c(OC)c2)CC[N@H+]1C ZINC001568483101 1077096114 /nfs/dbraw/zinc/09/61/14/1077096114.db2.gz IFMWYZKZVUKAIP-RBUKOAKNSA-N 1 3 361.530 2.624 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC001568851930 1077114498 /nfs/dbraw/zinc/11/44/98/1077114498.db2.gz OXXLQVYLSMZWGZ-SWTGODCJSA-N 1 3 369.431 2.808 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC001568851930 1077114501 /nfs/dbraw/zinc/11/45/01/1077114501.db2.gz OXXLQVYLSMZWGZ-SWTGODCJSA-N 1 3 369.431 2.808 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(CN(C)C)CCCC1 ZINC000414129754 513982407 /nfs/dbraw/zinc/98/24/07/513982407.db2.gz IQDORTILJHEYCS-AWEZNQCLSA-N 1 3 370.335 2.711 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170354 514068306 /nfs/dbraw/zinc/06/83/06/514068306.db2.gz LRKRVOSXCDIYIP-MRRJBJDNSA-N 1 3 373.310 2.717 20 0 FFADHO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000092750661 250000087 /nfs/dbraw/zinc/00/00/87/250000087.db2.gz FWFQWYXUWORDAA-HOCLYGCPSA-N 1 3 367.559 2.792 20 0 FFADHO Cc1cccnc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000093204313 250022826 /nfs/dbraw/zinc/02/28/26/250022826.db2.gz PCFILMRIITUSDR-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000103511542 250157245 /nfs/dbraw/zinc/15/72/45/250157245.db2.gz VBCAHTQKSFMBKN-UHFFFAOYSA-N 1 3 372.557 2.943 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000105083572 250196306 /nfs/dbraw/zinc/19/63/06/250196306.db2.gz XTDUWQUHWMRUFX-JKSUJKDBSA-N 1 3 350.532 2.621 20 0 FFADHO CCC[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000131657454 251009103 /nfs/dbraw/zinc/00/91/03/251009103.db2.gz NSNDOSHUAJOWJQ-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000267393625 251342895 /nfs/dbraw/zinc/34/28/95/251342895.db2.gz XHDAVYXPDQCDCX-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO CC[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)N(C)C ZINC000268753128 251374719 /nfs/dbraw/zinc/37/47/19/251374719.db2.gz VWXYTRRGYSCNBC-GOSISDBHSA-N 1 3 367.921 2.640 20 0 FFADHO CC[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N(C)C ZINC000268753128 251374723 /nfs/dbraw/zinc/37/47/23/251374723.db2.gz VWXYTRRGYSCNBC-GOSISDBHSA-N 1 3 367.921 2.640 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000268806967 251389800 /nfs/dbraw/zinc/38/98/00/251389800.db2.gz JOJJNNOLTVSHRU-IBGZPJMESA-N 1 3 363.546 2.780 20 0 FFADHO CO[C@@H](C)[C@@H](C)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000268811825 251392848 /nfs/dbraw/zinc/39/28/48/251392848.db2.gz DLQBGCUZVSFWTL-SJORKVTESA-N 1 3 350.503 2.689 20 0 FFADHO CO[C@@H](C)[C@@H](C)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268811825 251392852 /nfs/dbraw/zinc/39/28/52/251392852.db2.gz DLQBGCUZVSFWTL-SJORKVTESA-N 1 3 350.503 2.689 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)N1CCN(C)CC1 ZINC000268785831 251383475 /nfs/dbraw/zinc/38/34/75/251383475.db2.gz VNRVCKJHBOVOHA-PMVMPFDFSA-N 1 3 372.601 2.901 20 0 FFADHO CCC[C@@](C)(N)C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000272357261 252018554 /nfs/dbraw/zinc/01/85/54/252018554.db2.gz RMRXUMQDZKYYCU-HXUWFJFHSA-N 1 3 365.518 2.550 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272776973 252128587 /nfs/dbraw/zinc/12/85/87/252128587.db2.gz QYTVUOOKUBTQRI-QGZVFWFLSA-N 1 3 358.530 2.978 20 0 FFADHO C[C@@H]([NH2+]Cc1ccccc1CN[C@@H](C)c1cnn(C)c1)c1cnn(C)c1 ZINC000273382499 252295020 /nfs/dbraw/zinc/29/50/20/252295020.db2.gz MWXXSAXADQZBDN-IYBDPMFKSA-N 1 3 352.486 2.855 20 0 FFADHO C[C@@H](NCc1ccccc1C[NH2+][C@@H](C)c1cnn(C)c1)c1cnn(C)c1 ZINC000273382499 252295023 /nfs/dbraw/zinc/29/50/23/252295023.db2.gz MWXXSAXADQZBDN-IYBDPMFKSA-N 1 3 352.486 2.855 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275502568 256017258 /nfs/dbraw/zinc/01/72/58/256017258.db2.gz REYXOBLLRVKNAE-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CC1(C)CN(Cc2ccccc2C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000275412887 256002015 /nfs/dbraw/zinc/00/20/15/256002015.db2.gz GJIGDNHFPPVDFC-PMACEKPBSA-N 1 3 360.542 2.872 20 0 FFADHO CC1(C)CN(Cc2ccccc2C[N@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000275412887 256002018 /nfs/dbraw/zinc/00/20/18/256002018.db2.gz GJIGDNHFPPVDFC-PMACEKPBSA-N 1 3 360.542 2.872 20 0 FFADHO CC(C)(CNC(=O)NCC1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000276838266 256135497 /nfs/dbraw/zinc/13/54/97/256135497.db2.gz HXWZYAAVWYQREE-UHFFFAOYSA-N 1 3 373.545 2.719 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1Br ZINC000277026373 256153032 /nfs/dbraw/zinc/15/30/32/256153032.db2.gz DSUSQFCGEOSDHY-USXIJHARSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1Br ZINC000277026373 256153033 /nfs/dbraw/zinc/15/30/33/256153033.db2.gz DSUSQFCGEOSDHY-USXIJHARSA-N 1 3 367.331 2.817 20 0 FFADHO COC[C@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000278938582 256364519 /nfs/dbraw/zinc/36/45/19/256364519.db2.gz YCVGWNLVWUPPER-PMACEKPBSA-N 1 3 350.478 2.616 20 0 FFADHO CN(CCCN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)Cc1ccco1 ZINC000286768121 257054138 /nfs/dbraw/zinc/05/41/38/257054138.db2.gz SMUYXHYECLHFBL-AYHJJNSGSA-N 1 3 362.518 2.758 20 0 FFADHO CN(CCCN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccco1 ZINC000286768121 257054139 /nfs/dbraw/zinc/05/41/39/257054139.db2.gz SMUYXHYECLHFBL-AYHJJNSGSA-N 1 3 362.518 2.758 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000287872049 257124232 /nfs/dbraw/zinc/12/42/32/257124232.db2.gz AVDGIZNHPNILAJ-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000287872049 257124233 /nfs/dbraw/zinc/12/42/33/257124233.db2.gz AVDGIZNHPNILAJ-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000287669085 257101626 /nfs/dbraw/zinc/10/16/26/257101626.db2.gz MAAOETTZLNWOEY-ROUUACIJSA-N 1 3 371.447 2.634 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000287718862 257105420 /nfs/dbraw/zinc/10/54/20/257105420.db2.gz SKPAAHCXAKDFAK-IBGZPJMESA-N 1 3 362.493 2.602 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccc(OCC(F)F)cc3)CC2)CC1 ZINC000289435012 257281098 /nfs/dbraw/zinc/28/10/98/257281098.db2.gz LIAARZOGSLWSMZ-UHFFFAOYSA-N 1 3 367.484 2.790 20 0 FFADHO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)Cc1ccccc1 ZINC000289231597 257267765 /nfs/dbraw/zinc/26/77/65/257267765.db2.gz UOYKOXZUZJRSPB-DAABDDCCSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)Cc1ccccc1 ZINC000289231597 257267766 /nfs/dbraw/zinc/26/77/66/257267766.db2.gz UOYKOXZUZJRSPB-DAABDDCCSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H](O)c1ncc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)s1 ZINC000289262280 257270064 /nfs/dbraw/zinc/27/00/64/257270064.db2.gz MUABQLIEFWNPOM-QGZVFWFLSA-N 1 3 374.554 2.888 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296954517 257772153 /nfs/dbraw/zinc/77/21/53/257772153.db2.gz HOMZTEHLZMYNAX-IHWFROFDSA-N 1 3 358.530 2.905 20 0 FFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296954517 257772154 /nfs/dbraw/zinc/77/21/54/257772154.db2.gz HOMZTEHLZMYNAX-IHWFROFDSA-N 1 3 358.530 2.905 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000311561272 258115564 /nfs/dbraw/zinc/11/55/64/258115564.db2.gz YFSVQNBXVRDTIT-WVVQBRDUSA-N 1 3 355.526 2.936 20 0 FFADHO CN(C)CCNC(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096052905 222003812 /nfs/dbraw/zinc/00/38/12/222003812.db2.gz JXNCDERVFVCNMI-LJQANCHMSA-N 1 3 369.553 2.985 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414956222 514375774 /nfs/dbraw/zinc/37/57/74/514375774.db2.gz VASWLJCEOWZTIO-LALPHHSUSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414956222 514375785 /nfs/dbraw/zinc/37/57/85/514375785.db2.gz VASWLJCEOWZTIO-LALPHHSUSA-N 1 3 354.292 2.896 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000065441000 506299198 /nfs/dbraw/zinc/29/91/98/506299198.db2.gz MJBLQMJKPKADIK-NSHGMRRFSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000065441000 506299205 /nfs/dbraw/zinc/29/92/05/506299205.db2.gz MJBLQMJKPKADIK-NSHGMRRFSA-N 1 3 358.530 2.851 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000373083235 512164307 /nfs/dbraw/zinc/16/43/07/512164307.db2.gz FTBCOBULKYGMHD-IBGZPJMESA-N 1 3 356.514 2.740 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000054726039 506610762 /nfs/dbraw/zinc/61/07/62/506610762.db2.gz XLMNVNJOIMDWKU-IYBDPMFKSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000054726039 506610764 /nfs/dbraw/zinc/61/07/64/506610764.db2.gz XLMNVNJOIMDWKU-IYBDPMFKSA-N 1 3 350.551 2.669 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCC[NH+]2CCCCC2)N2CCCC2)c1 ZINC000043306895 506730016 /nfs/dbraw/zinc/73/00/16/506730016.db2.gz RGPSCYVPKALLEP-HXUWFJFHSA-N 1 3 374.529 2.617 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC000056525228 507036825 /nfs/dbraw/zinc/03/68/25/507036825.db2.gz CUVFBWJBSWSKFH-UHFFFAOYSA-N 1 3 373.541 2.850 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000068565581 507272265 /nfs/dbraw/zinc/27/22/65/507272265.db2.gz GQZPQTDWVMSMQV-UHFFFAOYSA-N 1 3 364.509 2.772 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2CCOC)cc1)C(C)C ZINC000069502106 507505610 /nfs/dbraw/zinc/50/56/10/507505610.db2.gz IQTQYRIHVGSEBQ-FQEVSTJZSA-N 1 3 361.530 2.758 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2CCOC)cc1)C(C)C ZINC000069502106 507505615 /nfs/dbraw/zinc/50/56/15/507505615.db2.gz IQTQYRIHVGSEBQ-FQEVSTJZSA-N 1 3 361.530 2.758 20 0 FFADHO C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051759563 507783748 /nfs/dbraw/zinc/78/37/48/507783748.db2.gz UUNYCBBXWABRRQ-QGZVFWFLSA-N 1 3 358.530 2.648 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000107700813 507864054 /nfs/dbraw/zinc/86/40/54/507864054.db2.gz RJZUFQFYGPUAHW-NSHGMRRFSA-N 1 3 360.546 2.957 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000107700813 507864056 /nfs/dbraw/zinc/86/40/56/507864056.db2.gz RJZUFQFYGPUAHW-NSHGMRRFSA-N 1 3 360.546 2.957 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)Cc1ccccc1 ZINC000078541661 507881711 /nfs/dbraw/zinc/88/17/11/507881711.db2.gz DNZZQPJGEXAHMY-OAQYLSRUSA-N 1 3 368.525 2.720 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000073498329 507925923 /nfs/dbraw/zinc/92/59/23/507925923.db2.gz WSCFRAGEGJXPJY-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000073498329 507925927 /nfs/dbraw/zinc/92/59/27/507925927.db2.gz WSCFRAGEGJXPJY-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000073494709 507926037 /nfs/dbraw/zinc/92/60/37/507926037.db2.gz ORESNUZBUFFNEV-HSALFYBXSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000073494709 507926039 /nfs/dbraw/zinc/92/60/39/507926039.db2.gz ORESNUZBUFFNEV-HSALFYBXSA-N 1 3 358.530 2.948 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000073541759 507929380 /nfs/dbraw/zinc/92/93/80/507929380.db2.gz BLGHVOFKPWEDIA-UXHICEINSA-N 1 3 358.530 2.907 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000079223172 507945984 /nfs/dbraw/zinc/94/59/84/507945984.db2.gz JHHHEAFMUSGHFD-ZCNNSNEGSA-N 1 3 358.530 2.778 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000079223172 507945987 /nfs/dbraw/zinc/94/59/87/507945987.db2.gz JHHHEAFMUSGHFD-ZCNNSNEGSA-N 1 3 358.530 2.778 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2ccccc2C1 ZINC000079256938 507948331 /nfs/dbraw/zinc/94/83/31/507948331.db2.gz JPJKWCYFTATZDH-QHAWAJNXSA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCc2ccccc2C1 ZINC000079256938 507948332 /nfs/dbraw/zinc/94/83/32/507948332.db2.gz JPJKWCYFTATZDH-QHAWAJNXSA-N 1 3 370.541 2.749 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091285108 507979197 /nfs/dbraw/zinc/97/91/97/507979197.db2.gz FZXBIVDBGUKWOI-OAHLLOKOSA-N 1 3 363.937 2.905 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(F)ccc1F ZINC000074105894 507987964 /nfs/dbraw/zinc/98/79/64/507987964.db2.gz IUJQMCJPILOANE-KRWDZBQOSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(F)ccc1F ZINC000074105894 507987965 /nfs/dbraw/zinc/98/79/65/507987965.db2.gz IUJQMCJPILOANE-KRWDZBQOSA-N 1 3 368.472 2.522 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C[NH+]1CCCC1 ZINC000079861741 508008528 /nfs/dbraw/zinc/00/85/28/508008528.db2.gz WCWUGVBNPOTIGD-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C[NH+]1CCCC1 ZINC000079861736 508008638 /nfs/dbraw/zinc/00/86/38/508008638.db2.gz WCWUGVBNPOTIGD-IRXDYDNUSA-N 1 3 364.559 2.916 20 0 FFADHO Cc1nc(C2CCCC2)sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000080061073 508032179 /nfs/dbraw/zinc/03/21/79/508032179.db2.gz RDMWXZKYJIVMLQ-UHFFFAOYSA-N 1 3 352.548 2.675 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H]1CN1CCOCC1 ZINC000092218258 508050799 /nfs/dbraw/zinc/05/07/99/508050799.db2.gz RHLHEQVXYCKFHR-OAQYLSRUSA-N 1 3 359.558 2.941 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H]1CN1CCOCC1 ZINC000092218258 508050801 /nfs/dbraw/zinc/05/08/01/508050801.db2.gz RHLHEQVXYCKFHR-OAQYLSRUSA-N 1 3 359.558 2.941 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000080694300 508095538 /nfs/dbraw/zinc/09/55/38/508095538.db2.gz BSRQUGWOLQUHMW-QUCCMNQESA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080694300 508095541 /nfs/dbraw/zinc/09/55/41/508095541.db2.gz BSRQUGWOLQUHMW-QUCCMNQESA-N 1 3 356.514 2.529 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000080699515 508095580 /nfs/dbraw/zinc/09/55/80/508095580.db2.gz UGCRSQVOAAQKMS-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000080699515 508095583 /nfs/dbraw/zinc/09/55/83/508095583.db2.gz UGCRSQVOAAQKMS-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO COC(=O)CCn1nc(C)c(CN2CCC(CCC[NH+](C)C)CC2)c1C ZINC000093688528 508152912 /nfs/dbraw/zinc/15/29/12/508152912.db2.gz YAUWHUFGDHBAIR-UHFFFAOYSA-N 1 3 364.534 2.617 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000103212029 508302008 /nfs/dbraw/zinc/30/20/08/508302008.db2.gz FAZHQJFMXYGLOO-JKSUJKDBSA-N 1 3 371.447 2.761 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000085354940 508303058 /nfs/dbraw/zinc/30/30/58/508303058.db2.gz ZZAVHKAYQBTWFK-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000085354940 508303060 /nfs/dbraw/zinc/30/30/60/508303060.db2.gz ZZAVHKAYQBTWFK-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000085390502 508305040 /nfs/dbraw/zinc/30/50/40/508305040.db2.gz RJCFRQWWIYPIER-GBESFXJTSA-N 1 3 352.567 2.725 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000103296090 508305125 /nfs/dbraw/zinc/30/51/25/508305125.db2.gz LCHJMSPNXMTCII-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO CCCOc1ccc(Br)cc1CNCC1(O)CC[NH+](C)CC1 ZINC000077450280 508317939 /nfs/dbraw/zinc/31/79/39/508317939.db2.gz UFGKJWRJBXZYCO-UHFFFAOYSA-N 1 3 371.319 2.784 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000103597095 508318531 /nfs/dbraw/zinc/31/85/31/508318531.db2.gz RSRUVMAVJWKIBS-QGZVFWFLSA-N 1 3 364.559 2.868 20 0 FFADHO Cc1ccc(C[C@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000114481328 508320225 /nfs/dbraw/zinc/32/02/25/508320225.db2.gz UJCRLRIOBHIMJF-OAQYLSRUSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077715707 508357513 /nfs/dbraw/zinc/35/75/13/508357513.db2.gz DGWLMZJGKKSGHR-GOSISDBHSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000133800291 508451512 /nfs/dbraw/zinc/45/15/12/508451512.db2.gz XCQDEOWYKYZMMD-QZTJIDSGSA-N 1 3 373.545 2.781 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127675567 508484798 /nfs/dbraw/zinc/48/47/98/508484798.db2.gz SVNFCNRGUXPILF-APWZRJJASA-N 1 3 358.530 2.905 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127674846 508485114 /nfs/dbraw/zinc/48/51/14/508485114.db2.gz SVNFCNRGUXPILF-QFBILLFUSA-N 1 3 358.530 2.905 20 0 FFADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152690102 508495611 /nfs/dbraw/zinc/49/56/11/508495611.db2.gz BVNGWBFIKRGGBM-QGZVFWFLSA-N 1 3 360.498 2.935 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000122193325 508496453 /nfs/dbraw/zinc/49/64/53/508496453.db2.gz GQXSFOSKCWLUJH-RTBURBONSA-N 1 3 367.578 2.846 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000122193325 508496458 /nfs/dbraw/zinc/49/64/58/508496458.db2.gz GQXSFOSKCWLUJH-RTBURBONSA-N 1 3 367.578 2.846 20 0 FFADHO CC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1OC(F)F ZINC000128135688 508552449 /nfs/dbraw/zinc/55/24/49/508552449.db2.gz AXBLPZRTTICHDR-GOEBONIOSA-N 1 3 369.456 2.916 20 0 FFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153351177 508574316 /nfs/dbraw/zinc/57/43/16/508574316.db2.gz BPQCRPQKLNLWKM-RLLQIKCJSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153351177 508574319 /nfs/dbraw/zinc/57/43/19/508574319.db2.gz BPQCRPQKLNLWKM-RLLQIKCJSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CN(CCN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCO1 ZINC000367254018 512408757 /nfs/dbraw/zinc/40/87/57/512408757.db2.gz VFZWUPLEWGQNHT-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CN(CCN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000367254018 512408761 /nfs/dbraw/zinc/40/87/61/512408761.db2.gz VFZWUPLEWGQNHT-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCO1 ZINC000367254018 512408764 /nfs/dbraw/zinc/40/87/64/512408764.db2.gz VFZWUPLEWGQNHT-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCO1 ZINC000367254018 512408768 /nfs/dbraw/zinc/40/87/68/512408768.db2.gz VFZWUPLEWGQNHT-IRLDBZIGSA-N 1 3 357.542 2.695 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000118820978 508678376 /nfs/dbraw/zinc/67/83/76/508678376.db2.gz HNCUKWTZUIEVIS-KRWDZBQOSA-N 1 3 362.518 2.823 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000119085416 508722470 /nfs/dbraw/zinc/72/24/70/508722470.db2.gz WPMCUTVBZKUYDV-FXAWDEMLSA-N 1 3 358.530 2.821 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000119124850 508730451 /nfs/dbraw/zinc/73/04/51/508730451.db2.gz GNULIXUSXBTVND-QFBILLFUSA-N 1 3 358.530 2.953 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000154242527 508744009 /nfs/dbraw/zinc/74/40/09/508744009.db2.gz HAAWHSROOUSHGT-MRXNPFEDSA-N 1 3 358.530 2.595 20 0 FFADHO CC[C@H](CN[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)[NH+]1CCCC1 ZINC000119283750 508764404 /nfs/dbraw/zinc/76/44/04/508764404.db2.gz HUIVWHGYNUQMKH-JKSUJKDBSA-N 1 3 363.502 2.885 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159028411 508783416 /nfs/dbraw/zinc/78/34/16/508783416.db2.gz IOBKGZGMDMRUCG-MSOLQXFVSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159028411 508783420 /nfs/dbraw/zinc/78/34/20/508783420.db2.gz IOBKGZGMDMRUCG-MSOLQXFVSA-N 1 3 373.545 2.781 20 0 FFADHO Cc1c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cnn1-c1ccc(F)cc1 ZINC000154440466 508785609 /nfs/dbraw/zinc/78/56/09/508785609.db2.gz LQYXYJISECUBPU-KRWDZBQOSA-N 1 3 373.520 2.998 20 0 FFADHO CCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159084852 508790469 /nfs/dbraw/zinc/79/04/69/508790469.db2.gz UYTLSUDXRDYXRO-NRFANRHFSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000150749717 508884993 /nfs/dbraw/zinc/88/49/93/508884993.db2.gz ZYHOZDGQEJIKDV-KRWDZBQOSA-N 1 3 366.575 2.799 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000150749717 508884998 /nfs/dbraw/zinc/88/49/98/508884998.db2.gz ZYHOZDGQEJIKDV-KRWDZBQOSA-N 1 3 366.575 2.799 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000131487680 508939322 /nfs/dbraw/zinc/93/93/22/508939322.db2.gz MSBKVORZQBRAQM-QFIPXVFZSA-N 1 3 367.537 2.912 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377740651 512427660 /nfs/dbraw/zinc/42/76/60/512427660.db2.gz UZTGDYVQHADQMG-LJQANCHMSA-N 1 3 365.497 2.691 20 0 FFADHO CCOc1cc2nccc(N3CCC[N@H+](CCO)CC3)c2cc1OCC ZINC000131567313 508950324 /nfs/dbraw/zinc/95/03/24/508950324.db2.gz XYEDLFMQRJKLDI-UHFFFAOYSA-N 1 3 359.470 2.537 20 0 FFADHO CCOc1cc2nccc(N3CCC[N@@H+](CCO)CC3)c2cc1OCC ZINC000131567313 508950327 /nfs/dbraw/zinc/95/03/27/508950327.db2.gz XYEDLFMQRJKLDI-UHFFFAOYSA-N 1 3 359.470 2.537 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000131571780 508951344 /nfs/dbraw/zinc/95/13/44/508951344.db2.gz WSUHMTNEUBNBJW-INIZCTEOSA-N 1 3 371.529 2.533 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132774103 509073005 /nfs/dbraw/zinc/07/30/05/509073005.db2.gz GLQKJLHPSGHUMG-SJORKVTESA-N 1 3 361.534 2.637 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132774103 509073007 /nfs/dbraw/zinc/07/30/07/509073007.db2.gz GLQKJLHPSGHUMG-SJORKVTESA-N 1 3 361.534 2.637 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CN1Cc1ccccc1 ZINC000151734879 509074360 /nfs/dbraw/zinc/07/43/60/509074360.db2.gz GXPJYRRTYICRBK-MISYRCLQSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CN1Cc1ccccc1 ZINC000151734879 509074365 /nfs/dbraw/zinc/07/43/65/509074365.db2.gz GXPJYRRTYICRBK-MISYRCLQSA-N 1 3 370.541 2.966 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CCCCC2)CC1)CN1CCc2ccccc2C1 ZINC000151764499 509079421 /nfs/dbraw/zinc/07/94/21/509079421.db2.gz HSLXQOGHXBVNBM-HSZRJFAPSA-N 1 3 371.569 2.792 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000120869615 509080218 /nfs/dbraw/zinc/08/02/18/509080218.db2.gz KWVNYHQXNZHQFF-VQIMIIECSA-N 1 3 358.530 2.951 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000120869615 509080219 /nfs/dbraw/zinc/08/02/19/509080219.db2.gz KWVNYHQXNZHQFF-VQIMIIECSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000133110033 509118180 /nfs/dbraw/zinc/11/81/80/509118180.db2.gz MTILJCCVAMCUGC-ROUUACIJSA-N 1 3 371.525 2.965 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195613991 509212218 /nfs/dbraw/zinc/21/22/18/509212218.db2.gz BMSLKRHKMWLZOR-KURKYZTESA-N 1 3 352.567 2.917 20 0 FFADHO CC[NH+](CC)CC(=O)N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185508789 509212897 /nfs/dbraw/zinc/21/28/97/509212897.db2.gz QVDGHMPYUREHQC-UHFFFAOYSA-N 1 3 363.468 2.841 20 0 FFADHO CC(C)[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000195639136 509215044 /nfs/dbraw/zinc/21/50/44/509215044.db2.gz AZEFVRKFBGFGNC-RTBURBONSA-N 1 3 352.567 2.774 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccccc1 ZINC000179091093 509259046 /nfs/dbraw/zinc/25/90/46/509259046.db2.gz RKUGTJKWGFSQBT-RTWAWAEBSA-N 1 3 366.509 2.993 20 0 FFADHO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1C[C@H](F)CN1 ZINC000188787178 509263925 /nfs/dbraw/zinc/26/39/25/509263925.db2.gz ALDXDMIJUPWGOL-LEWJYISDSA-N 1 3 369.484 2.895 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000162797794 509304502 /nfs/dbraw/zinc/30/45/02/509304502.db2.gz QSKBNSFBBHXLHY-XMGTWHOFSA-N 1 3 358.526 2.858 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000162797794 509304504 /nfs/dbraw/zinc/30/45/04/509304504.db2.gz QSKBNSFBBHXLHY-XMGTWHOFSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000162797794 509304507 /nfs/dbraw/zinc/30/45/07/509304507.db2.gz QSKBNSFBBHXLHY-XMGTWHOFSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000162797794 509304511 /nfs/dbraw/zinc/30/45/11/509304511.db2.gz QSKBNSFBBHXLHY-XMGTWHOFSA-N 1 3 358.526 2.858 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248412014 509306006 /nfs/dbraw/zinc/30/60/06/509306006.db2.gz ZWNYNTWVHRBZRN-KZNAEPCWSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248412014 509306010 /nfs/dbraw/zinc/30/60/10/509306010.db2.gz ZWNYNTWVHRBZRN-KZNAEPCWSA-N 1 3 350.551 2.671 20 0 FFADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CCCc3c2cnn3C)c1 ZINC000163649568 509404460 /nfs/dbraw/zinc/40/44/60/509404460.db2.gz BXYKNUQMOACOSD-HXUWFJFHSA-N 1 3 372.513 2.544 20 0 FFADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CCCc3c2cnn3C)c1 ZINC000163649568 509404471 /nfs/dbraw/zinc/40/44/71/509404471.db2.gz BXYKNUQMOACOSD-HXUWFJFHSA-N 1 3 372.513 2.544 20 0 FFADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CCCc3c2cnn3C)c1 ZINC000163649652 509405742 /nfs/dbraw/zinc/40/57/42/509405742.db2.gz BXYKNUQMOACOSD-FQEVSTJZSA-N 1 3 372.513 2.544 20 0 FFADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CCCc3c2cnn3C)c1 ZINC000163649652 509405751 /nfs/dbraw/zinc/40/57/51/509405751.db2.gz BXYKNUQMOACOSD-FQEVSTJZSA-N 1 3 372.513 2.544 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cnccn1 ZINC000163931340 509442223 /nfs/dbraw/zinc/44/22/23/509442223.db2.gz PFIIVSRHNKMBGC-IBGZPJMESA-N 1 3 353.514 2.725 20 0 FFADHO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000164041315 509456901 /nfs/dbraw/zinc/45/69/01/509456901.db2.gz WVICTSNFHBMBQX-ZWKOTPCHSA-N 1 3 361.555 2.835 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000248799785 509489832 /nfs/dbraw/zinc/48/98/32/509489832.db2.gz ZVZWGCJXMAHERE-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000248799785 509489838 /nfs/dbraw/zinc/48/98/38/509489838.db2.gz ZVZWGCJXMAHERE-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000248801380 509490041 /nfs/dbraw/zinc/49/00/41/509490041.db2.gz JSAZSHCQHMXASM-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248807813 509491693 /nfs/dbraw/zinc/49/16/93/509491693.db2.gz KGRUXTPSBMXAGR-GIVPXCGWSA-N 1 3 370.541 2.634 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000267469370 509501738 /nfs/dbraw/zinc/50/17/38/509501738.db2.gz XGMQJPNAKMJVNP-JBACZVJFSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000267469370 509501746 /nfs/dbraw/zinc/50/17/46/509501746.db2.gz XGMQJPNAKMJVNP-JBACZVJFSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000164611495 509518974 /nfs/dbraw/zinc/51/89/74/509518974.db2.gz KIMCPMMXXDPIRN-UZLBHIALSA-N 1 3 355.482 2.579 20 0 FFADHO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cccc(OCCN(C)C)c1 ZINC000165084337 509556159 /nfs/dbraw/zinc/55/61/59/509556159.db2.gz GRDDABMPZNCDTJ-QGZVFWFLSA-N 1 3 361.530 2.926 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1(C)C ZINC000249070404 509590875 /nfs/dbraw/zinc/59/08/75/509590875.db2.gz KYAUAPBBFRTFCA-YRISNDGFSA-N 1 3 361.530 2.546 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1(C)C ZINC000249070404 509590876 /nfs/dbraw/zinc/59/08/76/509590876.db2.gz KYAUAPBBFRTFCA-YRISNDGFSA-N 1 3 361.530 2.546 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC000192720639 509613933 /nfs/dbraw/zinc/61/39/33/509613933.db2.gz WZUINTMZVCRUAV-UHFFFAOYSA-N 1 3 351.510 2.943 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](C)CCCOc2ccc(F)cc2)CC1 ZINC000192720639 509613945 /nfs/dbraw/zinc/61/39/45/509613945.db2.gz WZUINTMZVCRUAV-UHFFFAOYSA-N 1 3 351.510 2.943 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186274410 509616293 /nfs/dbraw/zinc/61/62/93/509616293.db2.gz UUPPTGKRFWQJKG-CTNGQTDRSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186274410 509616299 /nfs/dbraw/zinc/61/62/99/509616299.db2.gz UUPPTGKRFWQJKG-CTNGQTDRSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183131964 509616488 /nfs/dbraw/zinc/61/64/88/509616488.db2.gz QIXRFKJPLGDFLS-LNRXMEIDSA-N 1 3 360.542 2.910 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131964 509616494 /nfs/dbraw/zinc/61/64/94/509616494.db2.gz QIXRFKJPLGDFLS-LNRXMEIDSA-N 1 3 360.542 2.910 20 0 FFADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131964 509616497 /nfs/dbraw/zinc/61/64/97/509616497.db2.gz QIXRFKJPLGDFLS-LNRXMEIDSA-N 1 3 360.542 2.910 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176630036 509619225 /nfs/dbraw/zinc/61/92/25/509619225.db2.gz MNQKXUZTSBWDFT-AEFFLSMTSA-N 1 3 362.518 2.758 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)[C@H](C)C1 ZINC000168153617 509645100 /nfs/dbraw/zinc/64/51/00/509645100.db2.gz DEDFOSZEOHSAAU-LMMKCTJWSA-N 1 3 364.509 2.526 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)[C@H](C)C1 ZINC000168153617 509645107 /nfs/dbraw/zinc/64/51/07/509645107.db2.gz DEDFOSZEOHSAAU-LMMKCTJWSA-N 1 3 364.509 2.526 20 0 FFADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1COc2ccccc21 ZINC000249380661 509665033 /nfs/dbraw/zinc/66/50/33/509665033.db2.gz ZVCMKEGRUMYBLF-FFZOFVMBSA-N 1 3 367.493 2.560 20 0 FFADHO C[C@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CCN1Cc1ccccc1 ZINC000237550995 509675178 /nfs/dbraw/zinc/67/51/78/509675178.db2.gz LDWDLKIQJPZOHL-GHTZIAJQSA-N 1 3 351.494 2.852 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000249436282 509680602 /nfs/dbraw/zinc/68/06/02/509680602.db2.gz SHJRTICYYSBZSZ-UTBUEMAESA-N 1 3 367.578 2.891 20 0 FFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CC3 ZINC000180078052 509740725 /nfs/dbraw/zinc/74/07/25/509740725.db2.gz MXJIKWCPAZCOBV-GOSISDBHSA-N 1 3 354.542 2.949 20 0 FFADHO [NH3+]C[C@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000237836180 509747376 /nfs/dbraw/zinc/74/73/76/509747376.db2.gz APQRINSFGRCBQA-FQEVSTJZSA-N 1 3 369.534 2.959 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000249739604 509748373 /nfs/dbraw/zinc/74/83/73/509748373.db2.gz HHOVEIMRWKYEIK-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000249739604 509748382 /nfs/dbraw/zinc/74/83/82/509748382.db2.gz HHOVEIMRWKYEIK-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000170756355 509759488 /nfs/dbraw/zinc/75/94/88/509759488.db2.gz CHWBOXXDQJSHKY-VQTJNVASSA-N 1 3 358.530 2.731 20 0 FFADHO C[C@H](CC[NH+]1CCN(C)CC1)N[C@H](C)c1ncc(Br)s1 ZINC000186564648 509773517 /nfs/dbraw/zinc/77/35/17/509773517.db2.gz WRBXVFZNDBGVEK-VXGBXAGGSA-N 1 3 361.353 2.582 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccsc1 ZINC000173823265 509799278 /nfs/dbraw/zinc/79/92/78/509799278.db2.gz HDWMHBOZKVJTLV-ROUUACIJSA-N 1 3 362.543 2.787 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](CCc3nc4ccccc4n3C)CC2)C[C@@H](C)O1 ZINC000265100064 509860963 /nfs/dbraw/zinc/86/09/63/509860963.db2.gz RTKLWJKKJVOYRT-QZTJIDSGSA-N 1 3 370.541 2.937 20 0 FFADHO CC(C)N(C(=O)[C@@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000245386274 509890110 /nfs/dbraw/zinc/89/01/10/509890110.db2.gz LYJMDEVSXRVCLG-CEXWTWQISA-N 1 3 367.578 2.842 20 0 FFADHO CC(C)N(C(=O)[C@@H](C)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000245386274 509890117 /nfs/dbraw/zinc/89/01/17/509890117.db2.gz LYJMDEVSXRVCLG-CEXWTWQISA-N 1 3 367.578 2.842 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000171042917 509904493 /nfs/dbraw/zinc/90/44/93/509904493.db2.gz GJLJGWAENMGRKM-FQEVSTJZSA-N 1 3 370.541 2.703 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)([NH+](C)C)C1 ZINC000255958147 509941648 /nfs/dbraw/zinc/94/16/48/509941648.db2.gz WEFUTWMGQFQEAY-SYYKKAFVSA-N 1 3 374.573 2.969 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268462892 509946647 /nfs/dbraw/zinc/94/66/47/509946647.db2.gz ZWMMPUTULDPYKE-UHFFFAOYSA-N 1 3 356.514 2.814 20 0 FFADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)C[C@@H](C)O1 ZINC000177275441 509973820 /nfs/dbraw/zinc/97/38/20/509973820.db2.gz OVCJEZUUTSKGGN-QZTJIDSGSA-N 1 3 369.513 2.589 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174174484 509985015 /nfs/dbraw/zinc/98/50/15/509985015.db2.gz WGKUVRVINNGJFN-RTWAWAEBSA-N 1 3 370.541 2.778 20 0 FFADHO CCc1cnc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000174234110 510016195 /nfs/dbraw/zinc/01/61/95/510016195.db2.gz ZVGHEJDECRLNIV-CQSZACIVSA-N 1 3 353.536 2.585 20 0 FFADHO CCc1cnc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000174234110 510016198 /nfs/dbraw/zinc/01/61/98/510016198.db2.gz ZVGHEJDECRLNIV-CQSZACIVSA-N 1 3 353.536 2.585 20 0 FFADHO CC[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@@H](C)C1 ZINC000245652682 510063907 /nfs/dbraw/zinc/06/39/07/510063907.db2.gz BRQQHZCMJNSVPD-JXFKEZNVSA-N 1 3 358.530 2.526 20 0 FFADHO CC[N@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@@H](C)C1 ZINC000245652682 510063910 /nfs/dbraw/zinc/06/39/10/510063910.db2.gz BRQQHZCMJNSVPD-JXFKEZNVSA-N 1 3 358.530 2.526 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268851989 510100945 /nfs/dbraw/zinc/10/09/45/510100945.db2.gz WQRVUEQQWHFXMY-CHWSQXEVSA-N 1 3 358.454 2.818 20 0 FFADHO C[C@H]([C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245710373 510101678 /nfs/dbraw/zinc/10/16/78/510101678.db2.gz NDHSRVHEPSUIQO-PLSULTGPSA-N 1 3 357.542 2.881 20 0 FFADHO C[C@H]([C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245710373 510101687 /nfs/dbraw/zinc/10/16/87/510101687.db2.gz NDHSRVHEPSUIQO-PLSULTGPSA-N 1 3 357.542 2.881 20 0 FFADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245743470 510122368 /nfs/dbraw/zinc/12/23/68/510122368.db2.gz MGFRCXVNQSWAPN-ICSRJNTNSA-N 1 3 373.541 2.850 20 0 FFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000245743470 510122378 /nfs/dbraw/zinc/12/23/78/510122378.db2.gz MGFRCXVNQSWAPN-ICSRJNTNSA-N 1 3 373.541 2.850 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000268909057 510130766 /nfs/dbraw/zinc/13/07/66/510130766.db2.gz SMIJKXDTMGCNBX-RBBKRZOGSA-N 1 3 358.574 2.514 20 0 FFADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc(C)c1OC(F)F ZINC000262035759 510154733 /nfs/dbraw/zinc/15/47/33/510154733.db2.gz OMRPGWBPQYDKNV-INIZCTEOSA-N 1 3 369.456 2.724 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245833014 510158347 /nfs/dbraw/zinc/15/83/47/510158347.db2.gz AZPLWEPHRJXKBT-RCLSDMTESA-N 1 3 357.542 2.929 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245833014 510158349 /nfs/dbraw/zinc/15/83/49/510158349.db2.gz AZPLWEPHRJXKBT-RCLSDMTESA-N 1 3 357.542 2.929 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000269043217 510206470 /nfs/dbraw/zinc/20/64/70/510206470.db2.gz VXVVKPATWNTHBC-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000269043217 510206477 /nfs/dbraw/zinc/20/64/77/510206477.db2.gz VXVVKPATWNTHBC-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245931209 510216199 /nfs/dbraw/zinc/21/61/99/510216199.db2.gz SJCUBSLTUKXWPT-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245931209 510216206 /nfs/dbraw/zinc/21/62/06/510216206.db2.gz SJCUBSLTUKXWPT-RLLQIKCJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000245953369 510224651 /nfs/dbraw/zinc/22/46/51/510224651.db2.gz PXVUYIFFIAHWCK-FRQCXROJSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000245953369 510224657 /nfs/dbraw/zinc/22/46/57/510224657.db2.gz PXVUYIFFIAHWCK-FRQCXROJSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000245952331 510225795 /nfs/dbraw/zinc/22/57/95/510225795.db2.gz WUDQMDHMSLHJMQ-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)C1 ZINC000245963316 510229619 /nfs/dbraw/zinc/22/96/19/510229619.db2.gz MYBSQNQXOKABHA-ZGXWSNOMSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)C1 ZINC000245963316 510229625 /nfs/dbraw/zinc/22/96/25/510229625.db2.gz MYBSQNQXOKABHA-ZGXWSNOMSA-N 1 3 364.578 2.870 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000269111537 510241177 /nfs/dbraw/zinc/24/11/77/510241177.db2.gz JRXJZGQVJVTNLN-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000269111537 510241179 /nfs/dbraw/zinc/24/11/79/510241179.db2.gz JRXJZGQVJVTNLN-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000177855024 510291650 /nfs/dbraw/zinc/29/16/50/510291650.db2.gz RXGMYWYEIDXQCC-GOSISDBHSA-N 1 3 372.557 2.807 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000177855024 510291658 /nfs/dbraw/zinc/29/16/58/510291658.db2.gz RXGMYWYEIDXQCC-GOSISDBHSA-N 1 3 372.557 2.807 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[NH+]1CCCC1 ZINC000246140047 510315564 /nfs/dbraw/zinc/31/55/64/510315564.db2.gz BUKGUWCRZDJXNH-QRQLOZEOSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H]1c2ccccc2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000171729053 510335678 /nfs/dbraw/zinc/33/56/78/510335678.db2.gz DQWORIAGNSGDMS-QGZVFWFLSA-N 1 3 370.541 2.874 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246181328 510343321 /nfs/dbraw/zinc/34/33/21/510343321.db2.gz LVISOEPUCSTQMC-XWTMOSNGSA-N 1 3 352.567 2.867 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246181328 510343326 /nfs/dbraw/zinc/34/33/26/510343326.db2.gz LVISOEPUCSTQMC-XWTMOSNGSA-N 1 3 352.567 2.867 20 0 FFADHO C[C@H](CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)N1CCCCC1 ZINC000184510201 510363977 /nfs/dbraw/zinc/36/39/77/510363977.db2.gz PVQRLXFPTCQGLZ-CVEARBPZSA-N 1 3 353.532 2.973 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171822971 510393115 /nfs/dbraw/zinc/39/31/15/510393115.db2.gz LVXLZCCMNMQLAW-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1(C)C ZINC000262757837 510399150 /nfs/dbraw/zinc/39/91/50/510399150.db2.gz CCWOLYQICUZSSW-ZSZQSSIHSA-N 1 3 365.543 2.534 20 0 FFADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C1(C)C ZINC000262803179 510418548 /nfs/dbraw/zinc/41/85/48/510418548.db2.gz RPKQRFWSCTXZCR-FRQCXROJSA-N 1 3 367.559 2.780 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262809664 510422252 /nfs/dbraw/zinc/42/22/52/510422252.db2.gz QCRXDMAWFJASDZ-FUHWJXTLSA-N 1 3 369.513 2.667 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246360214 510445800 /nfs/dbraw/zinc/44/58/00/510445800.db2.gz PWEWLNOGVLDJNS-FXAWDEMLSA-N 1 3 358.530 2.764 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000246366353 510449717 /nfs/dbraw/zinc/44/97/17/510449717.db2.gz QBFUVNVYZUTNHN-XLIONFOSSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000246366353 510449729 /nfs/dbraw/zinc/44/97/29/510449729.db2.gz QBFUVNVYZUTNHN-XLIONFOSSA-N 1 3 358.530 2.996 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000266353356 510535814 /nfs/dbraw/zinc/53/58/14/510535814.db2.gz CTGHUCCMDYRBLE-IBGZPJMESA-N 1 3 372.557 2.631 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000266353356 510535818 /nfs/dbraw/zinc/53/58/18/510535818.db2.gz CTGHUCCMDYRBLE-IBGZPJMESA-N 1 3 372.557 2.631 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246569574 510560384 /nfs/dbraw/zinc/56/03/84/510560384.db2.gz BMVTUMHDSHRWNW-IRFCIJBXSA-N 1 3 373.516 2.980 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246569574 510560386 /nfs/dbraw/zinc/56/03/86/510560386.db2.gz BMVTUMHDSHRWNW-IRFCIJBXSA-N 1 3 373.516 2.980 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1(C)C ZINC000188123793 510606523 /nfs/dbraw/zinc/60/65/23/510606523.db2.gz KSSHGFSVSYMURQ-RXVVDRJESA-N 1 3 361.530 2.676 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1(C)C ZINC000188123793 510606534 /nfs/dbraw/zinc/60/65/34/510606534.db2.gz KSSHGFSVSYMURQ-RXVVDRJESA-N 1 3 361.530 2.676 20 0 FFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000263219922 510618284 /nfs/dbraw/zinc/61/82/84/510618284.db2.gz LRVYEDLFTYTLRT-CTNGQTDRSA-N 1 3 359.514 2.737 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000188186825 510637426 /nfs/dbraw/zinc/63/74/26/510637426.db2.gz AVUHJWDHAQMRJM-MRXNPFEDSA-N 1 3 368.363 2.997 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)Cc1ccccc1 ZINC000246745209 510649732 /nfs/dbraw/zinc/64/97/32/510649732.db2.gz YXUIUDKVZMTWQB-GIVPXCGWSA-N 1 3 374.573 2.921 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000175566197 510679917 /nfs/dbraw/zinc/67/99/17/510679917.db2.gz XMJFMBWHBLASLM-UHFFFAOYSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](CC(=O)NC1CCN(CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178688814 510723343 /nfs/dbraw/zinc/72/33/43/510723343.db2.gz HPUMEWQLNQKKFG-AZUAARDMSA-N 1 3 357.542 2.836 20 0 FFADHO CC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000178701485 510728970 /nfs/dbraw/zinc/72/89/70/510728970.db2.gz DRIMUXBKUYBUHP-FQEVSTJZSA-N 1 3 351.494 2.510 20 0 FFADHO CC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000178701485 510728977 /nfs/dbraw/zinc/72/89/77/510728977.db2.gz DRIMUXBKUYBUHP-FQEVSTJZSA-N 1 3 351.494 2.510 20 0 FFADHO CC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000178701485 510728984 /nfs/dbraw/zinc/72/89/84/510728984.db2.gz DRIMUXBKUYBUHP-FQEVSTJZSA-N 1 3 351.494 2.510 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000191606053 510746993 /nfs/dbraw/zinc/74/69/93/510746993.db2.gz FJVXFLZNTMYLJI-SFHVURJKSA-N 1 3 374.529 2.710 20 0 FFADHO CC(C)=CCN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000188444388 510768614 /nfs/dbraw/zinc/76/86/14/510768614.db2.gz VGKQAUAKYJEZJE-MRXNPFEDSA-N 1 3 353.532 2.533 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000247022075 510804566 /nfs/dbraw/zinc/80/45/66/510804566.db2.gz LUMBIWCPCYXLSQ-RBSFLKMASA-N 1 3 357.340 2.992 20 0 FFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000247022075 510804571 /nfs/dbraw/zinc/80/45/71/510804571.db2.gz LUMBIWCPCYXLSQ-RBSFLKMASA-N 1 3 357.340 2.992 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000247055600 510819036 /nfs/dbraw/zinc/81/90/36/510819036.db2.gz NTHJZPHQANJKKY-XUVXKRRUSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000247063282 510821883 /nfs/dbraw/zinc/82/18/83/510821883.db2.gz NXPOLMYZYQPEBQ-GKLJAUDBSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000247063282 510821893 /nfs/dbraw/zinc/82/18/93/510821893.db2.gz NXPOLMYZYQPEBQ-GKLJAUDBSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247142578 510843758 /nfs/dbraw/zinc/84/37/58/510843758.db2.gz WIIICZHVHDCBIZ-QYZOEREBSA-N 1 3 353.551 2.647 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247307851 510856422 /nfs/dbraw/zinc/85/64/22/510856422.db2.gz GTOLGCWCXOECAC-GUDVDZBRSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@@H](CN4CCCCC4)C3)c2cc1C ZINC000247475553 510862323 /nfs/dbraw/zinc/86/23/23/510862323.db2.gz JQOLXMIKPASFAC-VQTJNVASSA-N 1 3 370.541 2.822 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@@H](CN4CCCCC4)C3)c2cc1C ZINC000247475553 510862324 /nfs/dbraw/zinc/86/23/24/510862324.db2.gz JQOLXMIKPASFAC-VQTJNVASSA-N 1 3 370.541 2.822 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000247491881 510862930 /nfs/dbraw/zinc/86/29/30/510862930.db2.gz RPSSKPICLKPDBC-QWFCFKBJSA-N 1 3 372.557 2.784 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000285528728 510943676 /nfs/dbraw/zinc/94/36/76/510943676.db2.gz GUKGHXUCDJRNBM-YJBOKZPZSA-N 1 3 372.538 2.556 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000285528728 510943679 /nfs/dbraw/zinc/94/36/79/510943679.db2.gz GUKGHXUCDJRNBM-YJBOKZPZSA-N 1 3 372.538 2.556 20 0 FFADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000294100350 510955428 /nfs/dbraw/zinc/95/54/28/510955428.db2.gz FFJHXSONVDUMEZ-GOSISDBHSA-N 1 3 354.498 2.520 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000360899960 510963458 /nfs/dbraw/zinc/96/34/58/510963458.db2.gz DALXUAPHIIMWDF-LLGFUMIMSA-N 1 3 370.541 2.994 20 0 FFADHO COc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)cc(OC)c1OC ZINC000294210830 510991978 /nfs/dbraw/zinc/99/19/78/510991978.db2.gz MOWIQZPJDMKTTJ-UHFFFAOYSA-N 1 3 357.454 2.866 20 0 FFADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000279271915 511024394 /nfs/dbraw/zinc/02/43/94/511024394.db2.gz WQYKVUYIPWMKPA-GOSISDBHSA-N 1 3 355.526 2.984 20 0 FFADHO O=C(CNC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)c(F)c1F ZINC000297805963 511073870 /nfs/dbraw/zinc/07/38/70/511073870.db2.gz XTKGTEXLLHTHPY-UHFFFAOYSA-N 1 3 364.371 2.696 20 0 FFADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1Cc1ccc(F)cc1 ZINC000298023650 511146044 /nfs/dbraw/zinc/14/60/44/511146044.db2.gz DZFNXKJKRSOSEY-FQEVSTJZSA-N 1 3 368.456 2.580 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000279650506 511162307 /nfs/dbraw/zinc/16/23/07/511162307.db2.gz DZIJJISUMLKATI-CLAROIROSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000362355374 511178788 /nfs/dbraw/zinc/17/87/88/511178788.db2.gz XVTZUQYXDDMKCQ-HDICACEKSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCCC23CCN(C)CC3)C1 ZINC000362355374 511178789 /nfs/dbraw/zinc/17/87/89/511178789.db2.gz XVTZUQYXDDMKCQ-HDICACEKSA-N 1 3 350.551 2.624 20 0 FFADHO CCCNC(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298235986 511218304 /nfs/dbraw/zinc/21/83/04/511218304.db2.gz BTRYFVVXFITQLQ-UHFFFAOYSA-N 1 3 352.482 2.980 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000298374958 511262938 /nfs/dbraw/zinc/26/29/38/511262938.db2.gz AUDGTLIIKMXCCR-HNNXBMFYSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000298374958 511262940 /nfs/dbraw/zinc/26/29/40/511262940.db2.gz AUDGTLIIKMXCCR-HNNXBMFYSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCN(C)C(C)C)c1 ZINC000298374958 511262945 /nfs/dbraw/zinc/26/29/45/511262945.db2.gz AUDGTLIIKMXCCR-HNNXBMFYSA-N 1 3 351.491 2.741 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291605169 511264428 /nfs/dbraw/zinc/26/44/28/511264428.db2.gz FRWFAVRBGSMJKF-FQEVSTJZSA-N 1 3 359.514 2.680 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)CC1 ZINC000298466244 511293391 /nfs/dbraw/zinc/29/33/91/511293391.db2.gz ORTFGJSMHHASNR-UHFFFAOYSA-N 1 3 356.558 2.541 20 0 FFADHO COc1cccc(N2CC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)c1 ZINC000298563182 511329880 /nfs/dbraw/zinc/32/98/80/511329880.db2.gz WDMIHIHFVDAPCK-GOSISDBHSA-N 1 3 352.482 2.928 20 0 FFADHO Cc1ccc(N2CC[C@H](NC3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000298589800 511339392 /nfs/dbraw/zinc/33/93/92/511339392.db2.gz YKCPOABGRFGNTF-FQEVSTJZSA-N 1 3 350.466 2.754 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc2)CC1 ZINC000333823959 511366201 /nfs/dbraw/zinc/36/62/01/511366201.db2.gz RNULYGHJFVQNJC-XSDIEEQYSA-N 1 3 370.541 2.838 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363141527 511378428 /nfs/dbraw/zinc/37/84/28/511378428.db2.gz XCJUOJKAMPFHAP-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363141527 511378431 /nfs/dbraw/zinc/37/84/31/511378431.db2.gz XCJUOJKAMPFHAP-MOPGFXCFSA-N 1 3 362.493 2.526 20 0 FFADHO C[C@@H](NCc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)ccc1F)[C@@H]1CCOC1 ZINC000295786030 511515044 /nfs/dbraw/zinc/51/50/44/511515044.db2.gz RCAQHDGUOVJIKA-CIRFHOKZSA-N 1 3 350.478 2.855 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000365836711 511678299 /nfs/dbraw/zinc/67/82/99/511678299.db2.gz JGABVNCIYYWKGB-HBMCJLEFSA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000365836711 511678305 /nfs/dbraw/zinc/67/83/05/511678305.db2.gz JGABVNCIYYWKGB-HBMCJLEFSA-N 1 3 351.579 2.808 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCC3)CC2)N(C)C)cc1 ZINC000296301844 511690316 /nfs/dbraw/zinc/69/03/16/511690316.db2.gz JKQZNHKRYOQOKE-FQEVSTJZSA-N 1 3 358.530 2.914 20 0 FFADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CN1CCCC1 ZINC000315119724 511797917 /nfs/dbraw/zinc/79/79/17/511797917.db2.gz ZSWCNQGXFRQLOC-GDBMZVCRSA-N 1 3 371.319 2.510 20 0 FFADHO Cc1c([C@@H](C)N[C@@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000274655062 511900324 /nfs/dbraw/zinc/90/03/24/511900324.db2.gz UEGUDLHADSRORK-ZWKOTPCHSA-N 1 3 370.545 2.561 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000296954760 511964819 /nfs/dbraw/zinc/96/48/19/511964819.db2.gz FSKFGKAVQMXRFE-UTKZUKDTSA-N 1 3 370.541 2.966 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1)C(C)C ZINC000281788082 511967266 /nfs/dbraw/zinc/96/72/66/511967266.db2.gz NTTRSOVRUZDTBN-UHFFFAOYSA-N 1 3 374.573 2.673 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1)C(C)C ZINC000281788082 511967273 /nfs/dbraw/zinc/96/72/73/511967273.db2.gz NTTRSOVRUZDTBN-UHFFFAOYSA-N 1 3 374.573 2.673 20 0 FFADHO CN(C)CCN1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293465140 511975403 /nfs/dbraw/zinc/97/54/03/511975403.db2.gz QIHORLFWPMYXIU-UTKZUKDTSA-N 1 3 363.521 2.909 20 0 FFADHO CN(C)CCN1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293466915 511975838 /nfs/dbraw/zinc/97/58/38/511975838.db2.gz QIHORLFWPMYXIU-UWJYYQICSA-N 1 3 363.521 2.909 20 0 FFADHO CN1CCC(N2CCC([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)CC1 ZINC000281978364 512034190 /nfs/dbraw/zinc/03/41/90/512034190.db2.gz OKRZIMWHEWUDDP-QGZVFWFLSA-N 1 3 352.526 2.783 20 0 FFADHO CN(c1ccccc1CN1CCC[N@@H+]2CCC[C@H]2C1)C1CCN(C)CC1 ZINC000360079104 512072187 /nfs/dbraw/zinc/07/21/87/512072187.db2.gz YXDNZVKKIXIHQS-NRFANRHFSA-N 1 3 356.558 2.887 20 0 FFADHO CN(c1ccccc1CN1CCC[N@H+]2CCC[C@H]2C1)C1CCN(C)CC1 ZINC000360079104 512072189 /nfs/dbraw/zinc/07/21/89/512072189.db2.gz YXDNZVKKIXIHQS-NRFANRHFSA-N 1 3 356.558 2.887 20 0 FFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282120944 512081901 /nfs/dbraw/zinc/08/19/01/512081901.db2.gz ASRVRZMUFQFYSN-IAGOWNOFSA-N 1 3 363.546 2.811 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000366549917 512083087 /nfs/dbraw/zinc/08/30/87/512083087.db2.gz DSGQDSWRIGXSHY-VQIMIIECSA-N 1 3 351.560 2.756 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000373714220 512469495 /nfs/dbraw/zinc/46/94/95/512469495.db2.gz VVVDXJSSVFFNKX-DXBBTUNJSA-N 1 3 358.526 2.938 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000371581106 512477218 /nfs/dbraw/zinc/47/72/18/512477218.db2.gz PYXCOIHRRQXEEI-IBGZPJMESA-N 1 3 370.541 2.863 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000371581106 512477222 /nfs/dbraw/zinc/47/72/22/512477222.db2.gz PYXCOIHRRQXEEI-IBGZPJMESA-N 1 3 370.541 2.863 20 0 FFADHO c1[nH]nc2c1[C@H]([NH2+]CCCCN1CCN(c3ccccc3)CC1)CCC2 ZINC000375889003 512553784 /nfs/dbraw/zinc/55/37/84/512553784.db2.gz NLVVWYJRHYYLLS-HXUWFJFHSA-N 1 3 353.514 2.979 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000369688890 512555520 /nfs/dbraw/zinc/55/55/20/512555520.db2.gz TYJFOOWCDKMGBZ-HXUWFJFHSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C/C=C/c3ccccc3F)CC2)CC1 ZINC000371866396 512609082 /nfs/dbraw/zinc/60/90/82/512609082.db2.gz JJVZEYGXOPPFFS-GQCTYLIASA-N 1 3 359.489 2.904 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn2)C[C@H](C)O1 ZINC000367759682 512650762 /nfs/dbraw/zinc/65/07/62/512650762.db2.gz ZFJXWWBIZAOGMR-QQXMDYFESA-N 1 3 358.530 2.658 20 0 FFADHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cn2)C[C@H](C)O1 ZINC000367759682 512650765 /nfs/dbraw/zinc/65/07/65/512650765.db2.gz ZFJXWWBIZAOGMR-QQXMDYFESA-N 1 3 358.530 2.658 20 0 FFADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cn2)C[C@H](C)O1 ZINC000367759682 512650770 /nfs/dbraw/zinc/65/07/70/512650770.db2.gz ZFJXWWBIZAOGMR-QQXMDYFESA-N 1 3 358.530 2.658 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@@H]3C3CCCCC3)CC2)CC1 ZINC000374120482 512668046 /nfs/dbraw/zinc/66/80/46/512668046.db2.gz PCEDWSIQHJNMGQ-WOJBJXKFSA-N 1 3 362.562 2.813 20 0 FFADHO CCOCCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000372006084 512675651 /nfs/dbraw/zinc/67/56/51/512675651.db2.gz HCCGCQCSALUBIM-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000369913371 512679427 /nfs/dbraw/zinc/67/94/27/512679427.db2.gz QAKCSWSASWVETI-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000369913371 512679430 /nfs/dbraw/zinc/67/94/30/512679430.db2.gz QAKCSWSASWVETI-NJYVYQBISA-N 1 3 370.541 2.919 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411550396 512684697 /nfs/dbraw/zinc/68/46/97/512684697.db2.gz KQRYXGBGZAVEOT-IEBWSBKVSA-N 1 3 374.529 2.604 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000372161019 512739512 /nfs/dbraw/zinc/73/95/12/512739512.db2.gz RXCRAACTWXYJCL-AZUAARDMSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000372161019 512739519 /nfs/dbraw/zinc/73/95/19/512739519.db2.gz RXCRAACTWXYJCL-AZUAARDMSA-N 1 3 371.529 2.577 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370114060 512774361 /nfs/dbraw/zinc/77/43/61/512774361.db2.gz TUHAHNADLSGHLH-NHCUHLMSSA-N 1 3 372.557 2.882 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370114060 512774363 /nfs/dbraw/zinc/77/43/63/512774363.db2.gz TUHAHNADLSGHLH-NHCUHLMSSA-N 1 3 372.557 2.882 20 0 FFADHO CO[C@@](C)([C@@H](C)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000411948042 512885605 /nfs/dbraw/zinc/88/56/05/512885605.db2.gz MSIPNESCEGYIRC-VGSWGCGISA-N 1 3 373.541 2.692 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccc(F)cc1 ZINC000388345636 512894655 /nfs/dbraw/zinc/89/46/55/512894655.db2.gz ZLJMFFBOUYLOHQ-UYAOXDASSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(F)cc1 ZINC000388345636 512894661 /nfs/dbraw/zinc/89/46/61/512894661.db2.gz ZLJMFFBOUYLOHQ-UYAOXDASSA-N 1 3 358.457 2.677 20 0 FFADHO Cc1cc2c(cc1C)N(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000376695819 512944307 /nfs/dbraw/zinc/94/43/07/512944307.db2.gz NDQBOFJJOKKHTD-UHFFFAOYSA-N 1 3 370.541 2.934 20 0 FFADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(CN2CCCCC2)c1 ZINC000412220440 513001453 /nfs/dbraw/zinc/00/14/53/513001453.db2.gz VLOHEZUFOGRYJP-NRFANRHFSA-N 1 3 373.541 2.639 20 0 FFADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(CN2CCCCC2)c1 ZINC000412220440 513001457 /nfs/dbraw/zinc/00/14/57/513001457.db2.gz VLOHEZUFOGRYJP-NRFANRHFSA-N 1 3 373.541 2.639 20 0 FFADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC)c(OC)c1 ZINC000370636638 513026323 /nfs/dbraw/zinc/02/63/23/513026323.db2.gz RZTCKAKCJJTPGT-PKOBYXMFSA-N 1 3 361.530 2.913 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccsc1 ZINC000445879124 513136762 /nfs/dbraw/zinc/13/67/62/513136762.db2.gz XXHZAUAYRPAYQC-INIZCTEOSA-N 1 3 352.548 2.915 20 0 FFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417736830 513187111 /nfs/dbraw/zinc/18/71/11/513187111.db2.gz MYOGFZDYCIYVOY-ZOBUZTSGSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000417740441 513190762 /nfs/dbraw/zinc/19/07/62/513190762.db2.gz RPFLHGZGWSTKJW-HFTRVMKXSA-N 1 3 362.543 2.667 20 0 FFADHO CN(C)[C@@]1(CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCSC1 ZINC000417809044 513215421 /nfs/dbraw/zinc/21/54/21/513215421.db2.gz AQEZXKZTWQKYIX-AZUAARDMSA-N 1 3 372.538 2.576 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000417827253 513225206 /nfs/dbraw/zinc/22/52/06/513225206.db2.gz PIKXHVLTMZCIAU-GHTZIAJQSA-N 1 3 372.557 2.928 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000417837161 513228940 /nfs/dbraw/zinc/22/89/40/513228940.db2.gz XMBXSOPPRAHWQP-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO CCCN1C[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1=O ZINC000421355768 513235250 /nfs/dbraw/zinc/23/52/50/513235250.db2.gz VAPSIAQTYUDLIV-JSXRDJHFSA-N 1 3 355.526 2.745 20 0 FFADHO CC(C)N(Cc1ccc(NC(=O)NCCC[NH3+])cc1)C[C@H]1CCCCO1 ZINC000415398660 513239749 /nfs/dbraw/zinc/23/97/49/513239749.db2.gz CKWFVXSUKDLOJN-LJQANCHMSA-N 1 3 362.518 2.936 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000417873415 513248164 /nfs/dbraw/zinc/24/81/64/513248164.db2.gz LRSWBQASBGIVIW-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000440169995 513265022 /nfs/dbraw/zinc/26/50/22/513265022.db2.gz AAPBKXCHIQPNAG-QRVBRYPASA-N 1 3 350.551 2.765 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000440169995 513265027 /nfs/dbraw/zinc/26/50/27/513265027.db2.gz AAPBKXCHIQPNAG-QRVBRYPASA-N 1 3 350.551 2.765 20 0 FFADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415467839 513274342 /nfs/dbraw/zinc/27/43/42/513274342.db2.gz WHMIVBBYRDEQTL-CQSZACIVSA-N 1 3 354.454 2.654 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418010902 513332513 /nfs/dbraw/zinc/33/25/13/513332513.db2.gz KCQVTDANZNGZEN-JRGCBEDISA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418015992 513335573 /nfs/dbraw/zinc/33/55/73/513335573.db2.gz QPSWYLXUPDEKEB-QUCCMNQESA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418015990 513335593 /nfs/dbraw/zinc/33/55/93/513335593.db2.gz QPSWYLXUPDEKEB-AZUAARDMSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000418047618 513352442 /nfs/dbraw/zinc/35/24/42/513352442.db2.gz TUPKNRGLNCIGGQ-DYXWJJEUSA-N 1 3 356.514 2.577 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN[C@@H](C)[C@H]2C)CC1 ZINC000418062001 513358193 /nfs/dbraw/zinc/35/81/93/513358193.db2.gz FTCVVJKGVTZVCC-ZWKOTPCHSA-N 1 3 358.530 2.810 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000446937093 513364474 /nfs/dbraw/zinc/36/44/74/513364474.db2.gz QBLNCMYYOOFVOD-HBFSDRIKSA-N 1 3 357.502 2.881 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000418130939 513384047 /nfs/dbraw/zinc/38/40/47/513384047.db2.gz COBYZJSBAUANCB-RTWAWAEBSA-N 1 3 366.509 2.896 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000418130939 513384051 /nfs/dbraw/zinc/38/40/51/513384051.db2.gz COBYZJSBAUANCB-RTWAWAEBSA-N 1 3 366.509 2.896 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CC1 ZINC000418137805 513386865 /nfs/dbraw/zinc/38/68/65/513386865.db2.gz IOVNKZVYVPMXSP-QHAWAJNXSA-N 1 3 370.541 2.538 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@H](C)CN1 ZINC000418164335 513401223 /nfs/dbraw/zinc/40/12/23/513401223.db2.gz WSLJJASYDYNKJJ-ZHALLVOQSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H](C)CN1 ZINC000418164335 513401227 /nfs/dbraw/zinc/40/12/27/513401227.db2.gz WSLJJASYDYNKJJ-ZHALLVOQSA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccco1 ZINC000418174172 513405332 /nfs/dbraw/zinc/40/53/32/513405332.db2.gz ZSHVONZSBLUAHG-LULLPPNCSA-N 1 3 370.497 2.764 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418175771 513406353 /nfs/dbraw/zinc/40/63/53/513406353.db2.gz VVVGURIWWVOMPH-OXJNMPFZSA-N 1 3 374.529 2.571 20 0 FFADHO C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)[C@@H](c1ccccc1)N(C)C ZINC000418176903 513406681 /nfs/dbraw/zinc/40/66/81/513406681.db2.gz HJOSTZNZMZYUGP-PXNSSMCTSA-N 1 3 369.513 2.552 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418185982 513412291 /nfs/dbraw/zinc/41/22/91/513412291.db2.gz BTJWVJSPQPPNDX-UXPWSPDFSA-N 1 3 360.546 2.867 20 0 FFADHO C[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000418189231 513413608 /nfs/dbraw/zinc/41/36/08/513413608.db2.gz VDXSCQZHXFVIEC-VDGAXYAQSA-N 1 3 358.530 2.851 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1Cc1ccccc1 ZINC000418193868 513415850 /nfs/dbraw/zinc/41/58/50/513415850.db2.gz NYAWDUVWYSUBHY-QMMLZNLJSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418195851 513416404 /nfs/dbraw/zinc/41/64/04/513416404.db2.gz QJRHHUYLBLYQRX-UXPWSPDFSA-N 1 3 360.546 2.785 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000418199553 513418114 /nfs/dbraw/zinc/41/81/14/513418114.db2.gz XBSLEIUXLCCKMR-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000418209079 513423007 /nfs/dbraw/zinc/42/30/07/513423007.db2.gz REOTZYSQDYTZDG-WSTZPKSXSA-N 1 3 374.529 2.612 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)N(CC)CC)cc1 ZINC000418217507 513426353 /nfs/dbraw/zinc/42/63/53/513426353.db2.gz PFHUOKFLJXYTNN-DBVUQKKJSA-N 1 3 360.546 2.929 20 0 FFADHO C[C@@H](CC[NH3+])NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415801187 513427177 /nfs/dbraw/zinc/42/71/77/513427177.db2.gz GADIVZRWMJYYPJ-LBPRGKRZSA-N 1 3 354.882 2.672 20 0 FFADHO C[C@@H](NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)[C@H](C)[NH3+] ZINC000415801061 513427202 /nfs/dbraw/zinc/42/72/02/513427202.db2.gz FUCKBWCDQMNQGO-NWDGAFQWSA-N 1 3 354.882 2.670 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000418236167 513434637 /nfs/dbraw/zinc/43/46/37/513434637.db2.gz UKHFZHKLRYWWJS-NVXWUHKLSA-N 1 3 352.548 2.684 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000418235297 513435431 /nfs/dbraw/zinc/43/54/31/513435431.db2.gz SAKPXAFGCPPQJA-INIZCTEOSA-N 1 3 352.548 2.828 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)NCC2(C)CC[NH2+]CC2)CCC1 ZINC000418248273 513440726 /nfs/dbraw/zinc/44/07/26/513440726.db2.gz RUYKFSDTAYKWAM-UHFFFAOYSA-N 1 3 358.530 2.730 20 0 FFADHO COc1ccc([C@@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)C(C)C)c(F)c1 ZINC000421823479 513445552 /nfs/dbraw/zinc/44/55/52/513445552.db2.gz DBVBVYLKANFCNZ-KXBFYZLASA-N 1 3 365.493 2.708 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000441011494 513458590 /nfs/dbraw/zinc/45/85/90/513458590.db2.gz KGLHTCHMAHGVTF-RBUKOAKNSA-N 1 3 362.562 2.959 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000441011494 513458599 /nfs/dbraw/zinc/45/85/99/513458599.db2.gz KGLHTCHMAHGVTF-RBUKOAKNSA-N 1 3 362.562 2.959 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000418346282 513475912 /nfs/dbraw/zinc/47/59/12/513475912.db2.gz HRIIMRQPOFZSBK-PZJWPPBQSA-N 1 3 358.530 2.937 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000418346282 513475916 /nfs/dbraw/zinc/47/59/16/513475916.db2.gz HRIIMRQPOFZSBK-PZJWPPBQSA-N 1 3 358.530 2.937 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000415925217 513481980 /nfs/dbraw/zinc/48/19/80/513481980.db2.gz ZYEWTVLUKIYJQJ-IAGOWNOFSA-N 1 3 374.529 2.759 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418360489 513483049 /nfs/dbraw/zinc/48/30/49/513483049.db2.gz GGCWFFKQXDJBHV-OALUTQOASA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NCC[C@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418377747 513488571 /nfs/dbraw/zinc/48/85/71/513488571.db2.gz VJISBFKOTMIZSI-KNQAVFIVSA-N 1 3 370.541 2.684 20 0 FFADHO CN(CCCN(C)C(=O)Nc1ccc(OCC[NH3+])cc1)Cc1ccco1 ZINC000415943067 513491279 /nfs/dbraw/zinc/49/12/79/513491279.db2.gz DARZVXSRBIEXCP-UHFFFAOYSA-N 1 3 360.458 2.603 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC[C@@H]3C3CC3)CC2)CC1 ZINC000413195094 513511981 /nfs/dbraw/zinc/51/19/81/513511981.db2.gz CGXPEEAKQOLFIR-FXAWDEMLSA-N 1 3 362.562 2.671 20 0 FFADHO NC[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000418495655 513533547 /nfs/dbraw/zinc/53/35/47/513533547.db2.gz BRCAKHQBIPICSE-FTRWYGJKSA-N 1 3 354.498 2.904 20 0 FFADHO C[C@H]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000416015397 513540204 /nfs/dbraw/zinc/54/02/04/513540204.db2.gz WGBCHEFJKPESDM-HOCLYGCPSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416017553 513541575 /nfs/dbraw/zinc/54/15/75/513541575.db2.gz YBJLFDHATJXSBF-GDBMZVCRSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)CCCN1C ZINC000435268535 513545939 /nfs/dbraw/zinc/54/59/39/513545939.db2.gz NCHGKMUGBKPMBC-MISYRCLQSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)CCCN1C ZINC000435268535 513545948 /nfs/dbraw/zinc/54/59/48/513545948.db2.gz NCHGKMUGBKPMBC-MISYRCLQSA-N 1 3 373.545 2.560 20 0 FFADHO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418554486 513555430 /nfs/dbraw/zinc/55/54/30/513555430.db2.gz VMTKCNKQRRCTPQ-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO C[NH2+]CCC1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000435379379 513571119 /nfs/dbraw/zinc/57/11/19/513571119.db2.gz BTMMHFBYWRVGHA-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418611290 513576202 /nfs/dbraw/zinc/57/62/02/513576202.db2.gz DFJLBESWPZZDJR-FQEVSTJZSA-N 1 3 360.546 2.710 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]1 ZINC000418612174 513577980 /nfs/dbraw/zinc/57/79/80/513577980.db2.gz VMUCBYMVQJARRC-UZKOGDIHSA-N 1 3 370.541 2.825 20 0 FFADHO CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000416125685 513583143 /nfs/dbraw/zinc/58/31/43/513583143.db2.gz QGDGYSMPUYNXKR-LEWJYISDSA-N 1 3 353.510 2.969 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418648222 513591429 /nfs/dbraw/zinc/59/14/29/513591429.db2.gz YZRDMCSSLNMDAD-HXUWFJFHSA-N 1 3 358.530 2.637 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418654670 513595831 /nfs/dbraw/zinc/59/58/31/513595831.db2.gz BCSOFPUECHANJC-IBGZPJMESA-N 1 3 358.486 2.833 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430245134 513596507 /nfs/dbraw/zinc/59/65/07/513596507.db2.gz ZYAKNDVHJUURPR-RXVVDRJESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430245134 513596511 /nfs/dbraw/zinc/59/65/11/513596511.db2.gz ZYAKNDVHJUURPR-RXVVDRJESA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418686309 513612002 /nfs/dbraw/zinc/61/20/02/513612002.db2.gz ORXWSAKVNZERMM-UFYCRDLUSA-N 1 3 372.557 2.915 20 0 FFADHO CN(C)CCN(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000418769107 513649968 /nfs/dbraw/zinc/64/99/68/513649968.db2.gz POPKGDMNFLQZHF-UHFFFAOYSA-N 1 3 362.562 2.656 20 0 FFADHO C[C@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H](N)c1ccccc1 ZINC000430797616 513750631 /nfs/dbraw/zinc/75/06/31/513750631.db2.gz FFANCNZKPULMAG-JXFKEZNVSA-N 1 3 351.494 2.538 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000448460455 513762673 /nfs/dbraw/zinc/76/26/73/513762673.db2.gz BXZKMWAYKBVFNE-SXLOBPIMSA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@@H](C)C1 ZINC000448460455 513762680 /nfs/dbraw/zinc/76/26/80/513762680.db2.gz BXZKMWAYKBVFNE-SXLOBPIMSA-N 1 3 360.546 2.531 20 0 FFADHO C[C@@H]([NH3+])C1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000430935593 513786612 /nfs/dbraw/zinc/78/66/12/513786612.db2.gz QXRNFWQSLVURRG-CXAGYDPISA-N 1 3 367.440 2.843 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430953679 513792543 /nfs/dbraw/zinc/79/25/43/513792543.db2.gz UPADXPNCYHOPIA-UZLBHIALSA-N 1 3 359.514 2.808 20 0 FFADHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+](C)C ZINC000425947857 513804482 /nfs/dbraw/zinc/80/44/82/513804482.db2.gz XQIYZBMMCZYHOE-OLZOCXBDSA-N 1 3 356.308 2.954 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)CN(C)C ZINC000425947857 513804473 /nfs/dbraw/zinc/80/44/73/513804473.db2.gz XQIYZBMMCZYHOE-OLZOCXBDSA-N 1 3 356.308 2.954 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000431039245 513811797 /nfs/dbraw/zinc/81/17/97/513811797.db2.gz WGJJBZRCAUTIND-XLIONFOSSA-N 1 3 361.530 2.672 20 0 FFADHO Cc1ccc2cc([C@H](C)[NH2+]CCCCN3CCN(CCO)CC3)oc2c1 ZINC000426039130 513834273 /nfs/dbraw/zinc/83/42/73/513834273.db2.gz JARDEEHXTCHKNX-SFHVURJKSA-N 1 3 359.514 2.782 20 0 FFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000422696949 513905488 /nfs/dbraw/zinc/90/54/88/513905488.db2.gz SPXKIBYQOLZPIQ-YADHBBJMSA-N 1 3 358.574 2.834 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422725786 513914308 /nfs/dbraw/zinc/91/43/08/513914308.db2.gz CIPOKEUIRZSZIT-HNONPPJISA-N 1 3 371.447 2.622 20 0 FFADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CC1(C)C ZINC000416701127 513915502 /nfs/dbraw/zinc/91/55/02/513915502.db2.gz YOFXDFHPGQHYOK-ZWKOTPCHSA-N 1 3 350.551 2.669 20 0 FFADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)COc1ccc(F)c(F)c1 ZINC000422743447 513920562 /nfs/dbraw/zinc/92/05/62/513920562.db2.gz RIOOBUBJWBRVGV-OYYCAODRSA-N 1 3 354.441 2.605 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000422745968 513920583 /nfs/dbraw/zinc/92/05/83/513920583.db2.gz NCKGLKXWMXXNQJ-RDTXWAMCSA-N 1 3 360.527 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCN1C ZINC000443284788 513920593 /nfs/dbraw/zinc/92/05/93/513920593.db2.gz CQLWMEMJDNGZDP-JWUVWSEFSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCN1C ZINC000443284788 513920597 /nfs/dbraw/zinc/92/05/97/513920597.db2.gz CQLWMEMJDNGZDP-JWUVWSEFSA-N 1 3 355.526 2.888 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000422799390 513935892 /nfs/dbraw/zinc/93/58/92/513935892.db2.gz WNDLCQBJZAVNDQ-CYBMUJFWSA-N 1 3 374.403 2.996 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000422802045 513937023 /nfs/dbraw/zinc/93/70/23/513937023.db2.gz GRQGYYMXJVTNMB-VLCRHTCISA-N 1 3 353.510 2.608 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000422806135 513938303 /nfs/dbraw/zinc/93/83/03/513938303.db2.gz KFGIRFPLZLMZGZ-KFKAGJAMSA-N 1 3 351.922 2.820 20 0 FFADHO c1ccc(CN2CCN(CCCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422831240 513945747 /nfs/dbraw/zinc/94/57/47/513945747.db2.gz JKUZIVKXWKFUJT-DNVJHFABSA-N 1 3 370.585 2.705 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422839713 513947902 /nfs/dbraw/zinc/94/79/02/513947902.db2.gz AEZYFORVRIMDSY-WOJBJXKFSA-N 1 3 372.557 2.626 20 0 FFADHO FC(F)(F)c1ccc(N2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC000422870922 513958549 /nfs/dbraw/zinc/95/85/49/513958549.db2.gz ZNFWWJSTKYXECS-XYPWUTKMSA-N 1 3 354.420 2.942 20 0 FFADHO COC1CCN(C2(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)N)CCCC2)CC1 ZINC000422884729 513962764 /nfs/dbraw/zinc/96/27/64/513962764.db2.gz FMROJOLJUMZWCL-NQIIRXRSSA-N 1 3 359.558 2.958 20 0 FFADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H](C)c3ccn(C)n3)CC2)c1 ZINC000414066551 513962886 /nfs/dbraw/zinc/96/28/86/513962886.db2.gz PROJPOLWNXCIIP-IBGZPJMESA-N 1 3 355.530 2.982 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416808864 513975449 /nfs/dbraw/zinc/97/54/49/513975449.db2.gz AKCNWDGWJVPPTL-YLJYHZDGSA-N 1 3 374.529 2.521 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cn1 ZINC000414108318 513977295 /nfs/dbraw/zinc/97/72/95/513977295.db2.gz JYPOQXFOJUNHDQ-SFHVURJKSA-N 1 3 360.546 2.561 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(CN(C)C)CCCC1 ZINC000414129757 513982698 /nfs/dbraw/zinc/98/26/98/513982698.db2.gz IQDORTILJHEYCS-CQSZACIVSA-N 1 3 370.335 2.711 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000416829974 513986947 /nfs/dbraw/zinc/98/69/47/513986947.db2.gz GHDUKHPBLSYBEU-IAGOWNOFSA-N 1 3 364.559 2.915 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000416829976 513987476 /nfs/dbraw/zinc/98/74/76/513987476.db2.gz GHDUKHPBLSYBEU-SJORKVTESA-N 1 3 364.559 2.915 20 0 FFADHO c1cnc2c(c1)cccc2OCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422952202 513988381 /nfs/dbraw/zinc/98/83/81/513988381.db2.gz AJXHAYTTWNTVJN-IPMKNSEASA-N 1 3 355.482 2.750 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422973016 513995088 /nfs/dbraw/zinc/99/50/88/513995088.db2.gz AXFYRPRWDCDKMQ-OXJNMPFZSA-N 1 3 355.482 2.688 20 0 FFADHO O[C@]1(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CCN(Cc2ccccc2)C1 ZINC000422980759 513997887 /nfs/dbraw/zinc/99/78/87/513997887.db2.gz QYWQRFPWGPESAJ-VABKMULXSA-N 1 3 365.521 2.706 20 0 FFADHO Cc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CC2)cc1 ZINC000414188694 514003121 /nfs/dbraw/zinc/00/31/21/514003121.db2.gz JBOBOKCLFUHLFT-NRFANRHFSA-N 1 3 357.542 2.832 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000416853072 514004213 /nfs/dbraw/zinc/00/42/13/514004213.db2.gz TXIRNNCAJAJICR-HOTGVXAUSA-N 1 3 350.532 2.558 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2c(c1)CCC2 ZINC000414202670 514009726 /nfs/dbraw/zinc/00/97/26/514009726.db2.gz UMLCYJJDRHSZMS-SFHVURJKSA-N 1 3 357.542 2.623 20 0 FFADHO Cc1ccccc1C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000414201073 514009861 /nfs/dbraw/zinc/00/98/61/514009861.db2.gz SJMHANUASIDUTF-QFIPXVFZSA-N 1 3 371.569 2.702 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)c1 ZINC000416862677 514010270 /nfs/dbraw/zinc/01/02/70/514010270.db2.gz YOPMISVQEGXCTL-HOJAQTOUSA-N 1 3 374.529 2.649 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])N2CCCC2)c1 ZINC000416862680 514010612 /nfs/dbraw/zinc/01/06/12/514010612.db2.gz YOPMISVQEGXCTL-SXLOBPIMSA-N 1 3 374.529 2.649 20 0 FFADHO CN(CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416872986 514015837 /nfs/dbraw/zinc/01/58/37/514015837.db2.gz MTHJJDXLDFAHBZ-UXHICEINSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000423041511 514016241 /nfs/dbraw/zinc/01/62/41/514016241.db2.gz JFYUASJQOCCNST-GMIGKAJZSA-N 1 3 358.313 2.914 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cn(C(C)(C)C)nc2C)CC[NH2+]CC1 ZINC000423046213 514017146 /nfs/dbraw/zinc/01/71/46/514017146.db2.gz FDVXAMNQIJCVKL-GDBMZVCRSA-N 1 3 364.534 2.919 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000423048471 514017914 /nfs/dbraw/zinc/01/79/14/514017914.db2.gz IFHGYJUZDZASFG-CXAGYDPISA-N 1 3 369.431 2.898 20 0 FFADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423066108 514025033 /nfs/dbraw/zinc/02/50/33/514025033.db2.gz CYXDUEVAXXJWMQ-DZGCQCFKSA-N 1 3 374.312 2.832 20 0 FFADHO CCOC(=O)c1csc(CCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000423074790 514029095 /nfs/dbraw/zinc/02/90/95/514029095.db2.gz VHFWWANOFDSORO-CVEARBPZSA-N 1 3 359.495 2.945 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](COC)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423088881 514036853 /nfs/dbraw/zinc/03/68/53/514036853.db2.gz RDDFZYSBNIHIOM-YOEHRIQHSA-N 1 3 368.905 2.939 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cn1 ZINC000414313216 514043998 /nfs/dbraw/zinc/04/39/98/514043998.db2.gz XOUXBHXVRTVCBQ-SFHVURJKSA-N 1 3 369.509 2.638 20 0 FFADHO FC(F)(F)COc1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423106302 514044353 /nfs/dbraw/zinc/04/43/53/514044353.db2.gz ZOKCYQCOUWLLEP-OKZBNKHCSA-N 1 3 372.431 2.917 20 0 FFADHO NS(=O)(=O)c1ccc(CNCCCCC[NH+]2CCCCC2)cc1Cl ZINC000414343370 514058079 /nfs/dbraw/zinc/05/80/79/514058079.db2.gz AVAAEZGUCQBGEA-UHFFFAOYSA-N 1 3 373.950 2.733 20 0 FFADHO C[C@@H](NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1)[C@H](C)[NH3+] ZINC000416955478 514065245 /nfs/dbraw/zinc/06/52/45/514065245.db2.gz JLMLJTMMQOUDGG-JKSUJKDBSA-N 1 3 354.498 2.950 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170354 514068300 /nfs/dbraw/zinc/06/83/00/514068300.db2.gz LRKRVOSXCDIYIP-MRRJBJDNSA-N 1 3 373.310 2.717 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C(F)(F)F)C1 ZINC000432019536 514068221 /nfs/dbraw/zinc/06/82/21/514068221.db2.gz PUVUXUMWDYNHLP-KBXIAJHMSA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C(F)(F)F)C1 ZINC000432019536 514068228 /nfs/dbraw/zinc/06/82/28/514068228.db2.gz PUVUXUMWDYNHLP-KBXIAJHMSA-N 1 3 361.452 2.638 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000416966951 514072569 /nfs/dbraw/zinc/07/25/69/514072569.db2.gz GAWAZSOLWQIBOZ-KZNAEPCWSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000416966951 514072575 /nfs/dbraw/zinc/07/25/75/514072575.db2.gz GAWAZSOLWQIBOZ-KZNAEPCWSA-N 1 3 358.530 2.810 20 0 FFADHO Fc1cc(Br)ccc1[C@H](NCCCN1CC[NH2+]CC1)C1CC1 ZINC000423189760 514076060 /nfs/dbraw/zinc/07/60/60/514076060.db2.gz RMJRKPFMLPLMEV-QGZVFWFLSA-N 1 3 370.310 2.924 20 0 FFADHO CC1CCC(OC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)CC1 ZINC000420307150 514081343 /nfs/dbraw/zinc/08/13/43/514081343.db2.gz RFWMYURBORDMEJ-SUOYUTEQSA-N 1 3 360.542 2.977 20 0 FFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420312830 514085824 /nfs/dbraw/zinc/08/58/24/514085824.db2.gz OYYHRVNFPGULAF-KJJMTIBFSA-N 1 3 357.542 2.522 20 0 FFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420312830 514085829 /nfs/dbraw/zinc/08/58/29/514085829.db2.gz OYYHRVNFPGULAF-KJJMTIBFSA-N 1 3 357.542 2.522 20 0 FFADHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321606 514093053 /nfs/dbraw/zinc/09/30/53/514093053.db2.gz DAEIAHLVLZNARB-KSZLIROESA-N 1 3 359.514 2.536 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423265793 514096248 /nfs/dbraw/zinc/09/62/48/514096248.db2.gz CZVXNCHBPZADBM-IEZWGBDMSA-N 1 3 367.559 2.885 20 0 FFADHO [NH3+]C[C@@H]1CN(CCOc2ccc(C(F)(F)F)cc2)CC12CCOCC2 ZINC000420338857 514100196 /nfs/dbraw/zinc/10/01/96/514100196.db2.gz YDRLGVGXUADSFM-OAHLLOKOSA-N 1 3 358.404 2.772 20 0 FFADHO CC(C)[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420341138 514100862 /nfs/dbraw/zinc/10/08/62/514100862.db2.gz NTPRSKMQPFPZME-WFXMLNOXSA-N 1 3 361.505 2.961 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccsc1 ZINC000417010715 514115408 /nfs/dbraw/zinc/11/54/08/514115408.db2.gz PZSLSUNRJVDVHD-WMLDXEAASA-N 1 3 352.548 2.900 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccsc1 ZINC000417014170 514119487 /nfs/dbraw/zinc/11/94/87/514119487.db2.gz ZUHALYQBMDKSNL-HYVNUMGLSA-N 1 3 352.548 2.757 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000420393174 514126809 /nfs/dbraw/zinc/12/68/09/514126809.db2.gz BULHYCPKXXCLDB-LWYYNNOASA-N 1 3 360.885 2.691 20 0 FFADHO Cc1cc(C)c2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423396038 514127453 /nfs/dbraw/zinc/12/74/53/514127453.db2.gz SXVJSTUWIBDXFR-SJORKVTESA-N 1 3 371.447 2.943 20 0 FFADHO COc1ccc([C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C(C)C)cc1 ZINC000423404272 514131649 /nfs/dbraw/zinc/13/16/49/514131649.db2.gz ZRRAUWWWVYYQAC-IRXDYDNUSA-N 1 3 359.436 2.818 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000417032336 514132156 /nfs/dbraw/zinc/13/21/56/514132156.db2.gz FCBJYJHOGIXXAH-LVCYWYKZSA-N 1 3 372.557 2.931 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000417032336 514132158 /nfs/dbraw/zinc/13/21/58/514132158.db2.gz FCBJYJHOGIXXAH-LVCYWYKZSA-N 1 3 372.557 2.931 20 0 FFADHO COc1ccc([C@H](NC[C@@H]2NCCc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000423438511 514142609 /nfs/dbraw/zinc/14/26/09/514142609.db2.gz UXJRYDSENKANHD-FSSWDIPSSA-N 1 3 351.494 2.965 20 0 FFADHO COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423445226 514144163 /nfs/dbraw/zinc/14/41/63/514144163.db2.gz BRBYKAWYAIYOEY-MOFZMDFASA-N 1 3 365.905 2.646 20 0 FFADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000444181997 514146317 /nfs/dbraw/zinc/14/63/17/514146317.db2.gz KVZSLYNVZDHQOR-ILWGZMRPSA-N 1 3 353.510 2.501 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCNCC2(F)F)CC1 ZINC000423478662 514149728 /nfs/dbraw/zinc/14/97/28/514149728.db2.gz NMVKZUDOMZALAQ-SJLPKXTDSA-N 1 3 351.485 2.916 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000449311053 514158263 /nfs/dbraw/zinc/15/82/63/514158263.db2.gz IYXSBKUQMIWFRF-DUXKGJEZSA-N 1 3 362.558 2.830 20 0 FFADHO CC(C)(CNC(=O)NC[C@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417085753 514159925 /nfs/dbraw/zinc/15/99/25/514159925.db2.gz CVDWPYUTBXXNMI-FQEVSTJZSA-N 1 3 366.509 2.823 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417090152 514163282 /nfs/dbraw/zinc/16/32/82/514163282.db2.gz UVUZNRHIWDXUMS-LJQANCHMSA-N 1 3 360.546 2.838 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000427310377 514179756 /nfs/dbraw/zinc/17/97/56/514179756.db2.gz YZWOMUYICUTMKV-CMKODMSKSA-N 1 3 365.562 2.599 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000427310377 514179763 /nfs/dbraw/zinc/17/97/63/514179763.db2.gz YZWOMUYICUTMKV-CMKODMSKSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000417130712 514184530 /nfs/dbraw/zinc/18/45/30/514184530.db2.gz BVRCYQUMJPLYFH-FQEVSTJZSA-N 1 3 358.530 2.983 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000417166909 514205454 /nfs/dbraw/zinc/20/54/54/514205454.db2.gz YVUQVHNPYSXCLZ-JXFKEZNVSA-N 1 3 354.498 2.871 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000414673653 514235129 /nfs/dbraw/zinc/23/51/29/514235129.db2.gz JDILZWJFOAZAGH-AVRDEDQJSA-N 1 3 363.505 2.831 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000414673653 514235136 /nfs/dbraw/zinc/23/51/36/514235136.db2.gz JDILZWJFOAZAGH-AVRDEDQJSA-N 1 3 363.505 2.831 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2)CC1 ZINC000417217134 514238151 /nfs/dbraw/zinc/23/81/51/514238151.db2.gz QLNBHLJMFBPCGM-QHAWAJNXSA-N 1 3 370.541 2.853 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC(C[NH3+])CC2)c2ccccc2)CC1 ZINC000417221025 514240845 /nfs/dbraw/zinc/24/08/45/514240845.db2.gz ZOQXUIDGDBORCA-HXUWFJFHSA-N 1 3 358.530 2.840 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000417223195 514243658 /nfs/dbraw/zinc/24/36/58/514243658.db2.gz RJLYBBSITNQNJK-PKOBYXMFSA-N 1 3 356.514 2.607 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)C1 ZINC000414696444 514246903 /nfs/dbraw/zinc/24/69/03/514246903.db2.gz PISWFQVFFATYAN-GOSISDBHSA-N 1 3 371.525 2.563 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)C1 ZINC000414696444 514246909 /nfs/dbraw/zinc/24/69/09/514246909.db2.gz PISWFQVFFATYAN-GOSISDBHSA-N 1 3 371.525 2.563 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000414702299 514248811 /nfs/dbraw/zinc/24/88/11/514248811.db2.gz IGLQTWCKGQDYBM-OAHLLOKOSA-N 1 3 365.468 2.907 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000414702299 514248815 /nfs/dbraw/zinc/24/88/15/514248815.db2.gz IGLQTWCKGQDYBM-OAHLLOKOSA-N 1 3 365.468 2.907 20 0 FFADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)N1CCC(C)CC1 ZINC000414709126 514250882 /nfs/dbraw/zinc/25/08/82/514250882.db2.gz RALUIZHLSHDOPD-VQIMIIECSA-N 1 3 374.529 2.518 20 0 FFADHO C[C@H](CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000423845171 514261145 /nfs/dbraw/zinc/26/11/45/514261145.db2.gz JUDDOGSMBRZLQG-SJORKVTESA-N 1 3 358.530 2.749 20 0 FFADHO CC1CC[NH+](CCc2cccc(NC(=O)CNC[C@@H]3CCCO3)c2)CC1 ZINC000423852766 514264975 /nfs/dbraw/zinc/26/49/75/514264975.db2.gz UDJMYZVZUFTFQA-FQEVSTJZSA-N 1 3 359.514 2.668 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC(C)(C)CCC[NH3+])c(C)c2)CC1 ZINC000414749131 514272585 /nfs/dbraw/zinc/27/25/85/514272585.db2.gz JTEYHYBXQXHTAZ-UHFFFAOYSA-N 1 3 361.534 2.776 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000414752811 514273871 /nfs/dbraw/zinc/27/38/71/514273871.db2.gz PJPPBRUVPQRDHS-QGZVFWFLSA-N 1 3 361.534 2.776 20 0 FFADHO CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414753658 514275334 /nfs/dbraw/zinc/27/53/34/514275334.db2.gz MSRZGDIPFGAJGD-UXHICEINSA-N 1 3 357.542 2.872 20 0 FFADHO CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414753658 514275343 /nfs/dbraw/zinc/27/53/43/514275343.db2.gz MSRZGDIPFGAJGD-UXHICEINSA-N 1 3 357.542 2.872 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])c(C)c2)CC1 ZINC000414755228 514275692 /nfs/dbraw/zinc/27/56/92/514275692.db2.gz SYUKDIXDZGLJAJ-JXFKEZNVSA-N 1 3 373.545 2.728 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000420753793 514279153 /nfs/dbraw/zinc/27/91/53/514279153.db2.gz AGEQFQYGRWDSFU-MHJFOBGBSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000417321826 514295520 /nfs/dbraw/zinc/29/55/20/514295520.db2.gz UJWUPWVLKHUHES-AZUAARDMSA-N 1 3 358.530 2.730 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)N ZINC000414799850 514299725 /nfs/dbraw/zinc/29/97/25/514299725.db2.gz HKDJNHAHAIFVIX-SNVBAGLBSA-N 1 3 355.504 2.586 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1F ZINC000438090514 514304514 /nfs/dbraw/zinc/30/45/14/514304514.db2.gz BRZYGRRCCHYSRX-CQSZACIVSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1F ZINC000438090514 514304524 /nfs/dbraw/zinc/30/45/24/514304524.db2.gz BRZYGRRCCHYSRX-CQSZACIVSA-N 1 3 354.445 2.845 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000417352659 514305858 /nfs/dbraw/zinc/30/58/58/514305858.db2.gz GPVPUTIJNCCGSZ-VQTJNVASSA-N 1 3 358.530 2.915 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414817206 514307821 /nfs/dbraw/zinc/30/78/21/514307821.db2.gz AFRKYDULGGNHSP-IKGGRYGDSA-N 1 3 357.498 2.819 20 0 FFADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000423959640 514309767 /nfs/dbraw/zinc/30/97/67/514309767.db2.gz BVECCTHMJMZTLI-FCHUYYIVSA-N 1 3 363.505 2.770 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000417356839 514309673 /nfs/dbraw/zinc/30/96/73/514309673.db2.gz QGRPFRYKJZKFMV-PMACEKPBSA-N 1 3 358.530 2.963 20 0 FFADHO COc1cc(Br)c(CNCC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000414849858 514323210 /nfs/dbraw/zinc/32/32/10/514323210.db2.gz MILFCLQJNIZNRA-GFCCVEGCSA-N 1 3 357.292 2.946 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427904492 514343992 /nfs/dbraw/zinc/34/39/92/514343992.db2.gz LBSDFPRULDYHAC-PWRODBHTSA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427904492 514343996 /nfs/dbraw/zinc/34/39/96/514343996.db2.gz LBSDFPRULDYHAC-PWRODBHTSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438334149 514357450 /nfs/dbraw/zinc/35/74/50/514357450.db2.gz YJPRVEISILDTTM-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438334149 514357451 /nfs/dbraw/zinc/35/74/51/514357451.db2.gz YJPRVEISILDTTM-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)Nc3ccccc3)CC2)CC1 ZINC000420979907 514415644 /nfs/dbraw/zinc/41/56/44/514415644.db2.gz KZYYMCCLCHCLFJ-UHFFFAOYSA-N 1 3 358.530 2.507 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCC(=O)Nc3ccccc3)CC2)CC1 ZINC000420979907 514415654 /nfs/dbraw/zinc/41/56/54/514415654.db2.gz KZYYMCCLCHCLFJ-UHFFFAOYSA-N 1 3 358.530 2.507 20 0 FFADHO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214502 514418753 /nfs/dbraw/zinc/41/87/53/514418753.db2.gz CTNRZPZMVXOCJE-JRSUCEMESA-N 1 3 353.510 2.640 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3c(C)nc4ccccn43)CC2)CC1 ZINC000420984891 514423906 /nfs/dbraw/zinc/42/39/06/514423906.db2.gz VDCOAFJDKURHOW-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)C[C@H]2C1 ZINC000424273809 514444515 /nfs/dbraw/zinc/44/45/15/514444515.db2.gz XOKIEJLKMLUXNX-OLDKWVOFSA-N 1 3 357.542 2.727 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424288678 514447480 /nfs/dbraw/zinc/44/74/80/514447480.db2.gz KYGYPHUVPDYDQR-KRWDZBQOSA-N 1 3 359.514 2.556 20 0 FFADHO CCOc1ccc(CN(C)C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424290455 514449136 /nfs/dbraw/zinc/44/91/36/514449136.db2.gz MOVCVQQGFKYKEY-KRWDZBQOSA-N 1 3 359.514 2.508 20 0 FFADHO CCCOCc1ccccc1CNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424301973 514450386 /nfs/dbraw/zinc/45/03/86/514450386.db2.gz YOEQZZPWNVCHOV-GOSISDBHSA-N 1 3 373.541 2.693 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)c(C)c2)CC1 ZINC000421035751 514451474 /nfs/dbraw/zinc/45/14/74/514451474.db2.gz DSLVDTWWKJEFKO-IBGZPJMESA-N 1 3 373.545 2.695 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@@H]3CCC[N@H+]3C)c(C)c2)CC1 ZINC000421035751 514451483 /nfs/dbraw/zinc/45/14/83/514451483.db2.gz DSLVDTWWKJEFKO-IBGZPJMESA-N 1 3 373.545 2.695 20 0 FFADHO Cc1ccc2ncc(CNCC3([NH3+])CCN(Cc4ccccc4)CC3)n2c1 ZINC000415140724 514464554 /nfs/dbraw/zinc/46/45/54/514464554.db2.gz ZIVSHBFBQRPKQM-UHFFFAOYSA-N 1 3 363.509 2.726 20 0 FFADHO Brc1cccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415141777 514466036 /nfs/dbraw/zinc/46/60/36/514466036.db2.gz PYPIRRZZSBVWIE-KRWDZBQOSA-N 1 3 352.320 2.755 20 0 FFADHO O=C1N[C@H]2CN(Cc3csc4ccccc34)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415144956 514468417 /nfs/dbraw/zinc/46/84/17/514468417.db2.gz WDNMBZUWWGJVGM-ROUUACIJSA-N 1 3 370.522 2.621 20 0 FFADHO CC[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc2C1 ZINC000455440889 514523023 /nfs/dbraw/zinc/52/30/23/514523023.db2.gz CQLOOPTZVXLQCY-VKEMMKHGSA-N 1 3 370.541 2.748 20 0 FFADHO CC[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000455440889 514523031 /nfs/dbraw/zinc/52/30/31/514523031.db2.gz CQLOOPTZVXLQCY-VKEMMKHGSA-N 1 3 370.541 2.748 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000439356568 514536631 /nfs/dbraw/zinc/53/66/31/514536631.db2.gz VDKKWQOKYLAJAH-HUUCEWRRSA-N 1 3 366.472 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000466036730 514544325 /nfs/dbraw/zinc/54/43/25/514544325.db2.gz PIAGBAATZUDDJA-ZBFHGGJFSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000466036730 514544334 /nfs/dbraw/zinc/54/43/34/514544334.db2.gz PIAGBAATZUDDJA-ZBFHGGJFSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000466036269 514545122 /nfs/dbraw/zinc/54/51/22/514545122.db2.gz OUBNRZLUMXCNTK-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466036269 514545123 /nfs/dbraw/zinc/54/51/23/514545123.db2.gz OUBNRZLUMXCNTK-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000466047049 514547655 /nfs/dbraw/zinc/54/76/55/514547655.db2.gz YTTRXYLVRFYPFZ-ROUUACIJSA-N 1 3 373.545 2.741 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c2)CC1 ZINC000466047049 514547658 /nfs/dbraw/zinc/54/76/58/514547658.db2.gz YTTRXYLVRFYPFZ-ROUUACIJSA-N 1 3 373.545 2.741 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)CC[N@@H+]1C ZINC000466053375 514550144 /nfs/dbraw/zinc/55/01/44/514550144.db2.gz UMFDFWAAVPKXED-AZUAARDMSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)CC[N@H+]1C ZINC000466053375 514550152 /nfs/dbraw/zinc/55/01/52/514550152.db2.gz UMFDFWAAVPKXED-AZUAARDMSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475138806 514569367 /nfs/dbraw/zinc/56/93/67/514569367.db2.gz WHFHLKVWXPLFTB-HSALFYBXSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475138806 514569374 /nfs/dbraw/zinc/56/93/74/514569374.db2.gz WHFHLKVWXPLFTB-HSALFYBXSA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)Cc1ccccc1 ZINC000466205555 514575951 /nfs/dbraw/zinc/57/59/51/514575951.db2.gz PONDXXUTRTZEJK-QMMLZNLJSA-N 1 3 372.557 2.721 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000497682137 514591921 /nfs/dbraw/zinc/59/19/21/514591921.db2.gz SHSYTISTOIZFSJ-SFHVURJKSA-N 1 3 353.551 2.693 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000453371846 514612949 /nfs/dbraw/zinc/61/29/49/514612949.db2.gz YJECVEILWUMCSR-CDXJDZJCSA-N 1 3 372.513 2.931 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)N(C)C)cc1 ZINC000508034863 514643544 /nfs/dbraw/zinc/64/35/44/514643544.db2.gz KELNXBGTMHLTOS-LJQANCHMSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN1Cc1ccccc1 ZINC000497855189 514661804 /nfs/dbraw/zinc/66/18/04/514661804.db2.gz ZYCYBQAFLCGDFW-SLYNCCJLSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCN1Cc1ccccc1 ZINC000497855189 514661816 /nfs/dbraw/zinc/66/18/16/514661816.db2.gz ZYCYBQAFLCGDFW-SLYNCCJLSA-N 1 3 370.541 2.966 20 0 FFADHO Clc1ccccc1OCCN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479683279 514685227 /nfs/dbraw/zinc/68/52/27/514685227.db2.gz FREIJEIXJRKPHA-UHFFFAOYSA-N 1 3 351.922 2.726 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000508163949 514692212 /nfs/dbraw/zinc/69/22/12/514692212.db2.gz PRBAQWPPQNHNEA-HKUYNNGSSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000466569700 514695725 /nfs/dbraw/zinc/69/57/25/514695725.db2.gz IPUBCKORQWHSHT-JTDSTZFVSA-N 1 3 358.530 2.898 20 0 FFADHO C[C@@]1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000489090930 514705414 /nfs/dbraw/zinc/70/54/14/514705414.db2.gz XKKUKXROJWOIOB-NQIIRXRSSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@]1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000489090930 514705425 /nfs/dbraw/zinc/70/54/25/514705425.db2.gz XKKUKXROJWOIOB-NQIIRXRSSA-N 1 3 356.514 2.577 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000458348623 514723861 /nfs/dbraw/zinc/72/38/61/514723861.db2.gz YQODPANLASUIOE-SFHVURJKSA-N 1 3 364.559 2.652 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458359534 514730972 /nfs/dbraw/zinc/73/09/72/514730972.db2.gz ONHBMGIMHQFCRM-QUCCMNQESA-N 1 3 350.551 2.768 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458359534 514730985 /nfs/dbraw/zinc/73/09/85/514730985.db2.gz ONHBMGIMHQFCRM-QUCCMNQESA-N 1 3 350.551 2.768 20 0 FFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489162040 514733505 /nfs/dbraw/zinc/73/35/05/514733505.db2.gz WRGHFOKNEHLONB-ICSRJNTNSA-N 1 3 360.546 2.927 20 0 FFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489162040 514733509 /nfs/dbraw/zinc/73/35/09/514733509.db2.gz WRGHFOKNEHLONB-ICSRJNTNSA-N 1 3 360.546 2.927 20 0 FFADHO CCCC[C@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000498082000 514754596 /nfs/dbraw/zinc/75/45/96/514754596.db2.gz IYLSKBKRAJYZTF-SFHVURJKSA-N 1 3 360.502 2.957 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000498121990 514770262 /nfs/dbraw/zinc/77/02/62/514770262.db2.gz XZTMXGAKHKQXOS-NVXWUHKLSA-N 1 3 350.507 2.882 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466928329 514831823 /nfs/dbraw/zinc/83/18/23/514831823.db2.gz BRXAIZBIKYZOSZ-LPHOPBHVSA-N 1 3 350.551 2.623 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466928329 514831831 /nfs/dbraw/zinc/83/18/31/514831831.db2.gz BRXAIZBIKYZOSZ-LPHOPBHVSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455923592 514834855 /nfs/dbraw/zinc/83/48/55/514834855.db2.gz MPENFSLKRBIAAM-QUCCMNQESA-N 1 3 374.529 2.810 20 0 FFADHO COc1cc2c(cc1F)nccc2N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000480112049 514845132 /nfs/dbraw/zinc/84/51/32/514845132.db2.gz JTWSAPCWGQRPEV-HNNXBMFYSA-N 1 3 372.488 2.987 20 0 FFADHO COc1cc2c(cc1F)nccc2N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000480112049 514845144 /nfs/dbraw/zinc/84/51/44/514845144.db2.gz JTWSAPCWGQRPEV-HNNXBMFYSA-N 1 3 372.488 2.987 20 0 FFADHO COc1cc2c(cc1F)nccc2N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000480112049 514845155 /nfs/dbraw/zinc/84/51/55/514845155.db2.gz JTWSAPCWGQRPEV-HNNXBMFYSA-N 1 3 372.488 2.987 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458503693 514852053 /nfs/dbraw/zinc/85/20/53/514852053.db2.gz MFOQTKQNZQREQL-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458503693 514852060 /nfs/dbraw/zinc/85/20/60/514852060.db2.gz MFOQTKQNZQREQL-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN(C[C@H](C)O)C[C@H]3C)c2cc1OCC ZINC000480183034 514868495 /nfs/dbraw/zinc/86/84/95/514868495.db2.gz POLYFDDJGIQWKL-CVEARBPZSA-N 1 3 373.497 2.924 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000458576436 514917448 /nfs/dbraw/zinc/91/74/48/514917448.db2.gz JFVXEXJLLXUZAI-FFZOFVMBSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000458576436 514917459 /nfs/dbraw/zinc/91/74/59/514917459.db2.gz JFVXEXJLLXUZAI-FFZOFVMBSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508908764 514952367 /nfs/dbraw/zinc/95/23/67/514952367.db2.gz TWRWEYUJWDABBN-FXAWDEMLSA-N 1 3 358.530 2.948 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000503197288 514953220 /nfs/dbraw/zinc/95/32/20/514953220.db2.gz ISOCRFQYLIHBLG-RTBURBONSA-N 1 3 371.525 2.965 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458630066 514971959 /nfs/dbraw/zinc/97/19/59/514971959.db2.gz ZMHNEJINKDEOIT-WIYYLYMNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458630066 514971966 /nfs/dbraw/zinc/97/19/66/514971966.db2.gz ZMHNEJINKDEOIT-WIYYLYMNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498646237 515008759 /nfs/dbraw/zinc/00/87/59/515008759.db2.gz YKMJFNFPJVMSEN-CRAIPNDOSA-N 1 3 371.447 2.897 20 0 FFADHO NC(=O)c1cccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471858816 515032958 /nfs/dbraw/zinc/03/29/58/515032958.db2.gz UJAYZXWGSHVMKA-RTWAWAEBSA-N 1 3 351.494 2.958 20 0 FFADHO CNC(=O)[C@H](CCSC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000489957977 515046952 /nfs/dbraw/zinc/04/69/52/515046952.db2.gz QMUAWBMNZKSBRN-RDGPPVDQSA-N 1 3 361.555 2.639 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467673769 515076756 /nfs/dbraw/zinc/07/67/56/515076756.db2.gz OVWBLCCGJXMSJR-UHFFFAOYSA-N 1 3 372.557 2.533 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000503552317 515079990 /nfs/dbraw/zinc/07/99/90/515079990.db2.gz RJKPSBMDKITCNQ-QAPCUYQASA-N 1 3 362.518 2.882 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000458773763 515081478 /nfs/dbraw/zinc/08/14/78/515081478.db2.gz PTMUTKZOLFKZAT-HOTGVXAUSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000458776365 515085381 /nfs/dbraw/zinc/08/53/81/515085381.db2.gz RSTYYWHBELGUSC-BBWFWOEESA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000458776365 515085389 /nfs/dbraw/zinc/08/53/89/515085389.db2.gz RSTYYWHBELGUSC-BBWFWOEESA-N 1 3 350.507 2.740 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccccc1 ZINC000480831409 515098777 /nfs/dbraw/zinc/09/87/77/515098777.db2.gz IOPVOAQOGGLGBL-GHTZIAJQSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccccc1 ZINC000480831409 515098786 /nfs/dbraw/zinc/09/87/86/515098786.db2.gz IOPVOAQOGGLGBL-GHTZIAJQSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@@H](NC1CC[NH+](CCN(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467754853 515104614 /nfs/dbraw/zinc/10/46/14/515104614.db2.gz XFKMHYVAGAECSP-LLVKDONJSA-N 1 3 350.454 2.839 20 0 FFADHO C[C@H]1CCC[C@@](CNC(=O)CC2(N3CCOCC3)CCCC2)([NH+](C)C)C1 ZINC000467993667 515189641 /nfs/dbraw/zinc/18/96/41/515189641.db2.gz LTTVKKQFJGRSNS-GHTZIAJQSA-N 1 3 365.562 2.648 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccco1 ZINC000509575043 515238833 /nfs/dbraw/zinc/23/88/33/515238833.db2.gz UWBBMTASFBZTPD-BSDSXHPESA-N 1 3 362.518 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccco1 ZINC000509575043 515238838 /nfs/dbraw/zinc/23/88/38/515238838.db2.gz UWBBMTASFBZTPD-BSDSXHPESA-N 1 3 362.518 2.835 20 0 FFADHO C[NH+](C)CCOCCNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000499240132 515251890 /nfs/dbraw/zinc/25/18/90/515251890.db2.gz UIKRWOVJJCTMGH-UHFFFAOYSA-N 1 3 365.481 2.602 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504295507 515264977 /nfs/dbraw/zinc/26/49/77/515264977.db2.gz KITDRKHHTZTVEQ-IXDOHACOSA-N 1 3 362.543 2.811 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504295507 515264982 /nfs/dbraw/zinc/26/49/82/515264982.db2.gz KITDRKHHTZTVEQ-IXDOHACOSA-N 1 3 362.543 2.811 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000476988856 515280276 /nfs/dbraw/zinc/28/02/76/515280276.db2.gz ZWXSBZBGRJTWTL-SFHVURJKSA-N 1 3 350.482 2.604 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)C[C@@H]21 ZINC000454188249 515297966 /nfs/dbraw/zinc/29/79/66/515297966.db2.gz BTKZZGNYUQIUOL-UXHICEINSA-N 1 3 356.514 2.518 20 0 FFADHO CC[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000454241383 515332251 /nfs/dbraw/zinc/33/22/51/515332251.db2.gz BVGWACSVNCTMPJ-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000454241383 515332257 /nfs/dbraw/zinc/33/22/57/515332257.db2.gz BVGWACSVNCTMPJ-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000459119975 515332829 /nfs/dbraw/zinc/33/28/29/515332829.db2.gz XDTLLPHJSLFKIZ-UHFFFAOYSA-N 1 3 374.529 2.902 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000463013393 515335600 /nfs/dbraw/zinc/33/56/00/515335600.db2.gz RQGDFQMKXNDZMU-SXLOBPIMSA-N 1 3 358.530 2.538 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000463013393 515335609 /nfs/dbraw/zinc/33/56/09/515335609.db2.gz RQGDFQMKXNDZMU-SXLOBPIMSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000454267840 515352194 /nfs/dbraw/zinc/35/21/94/515352194.db2.gz JVIXFOUBOVLFKI-KURKYZTESA-N 1 3 360.546 2.914 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CN(C4CC4)C[C@H]3C)CC2)c1 ZINC000491009604 515355661 /nfs/dbraw/zinc/35/56/61/515355661.db2.gz QVUXXOLSRUSDAK-NFBKMPQASA-N 1 3 370.585 2.970 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000499527568 515359487 /nfs/dbraw/zinc/35/94/87/515359487.db2.gz LIZKYSPZFUMKPQ-TZIWHRDSSA-N 1 3 357.542 2.981 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000499527568 515359495 /nfs/dbraw/zinc/35/94/95/515359495.db2.gz LIZKYSPZFUMKPQ-TZIWHRDSSA-N 1 3 357.542 2.981 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@H]3CN(CCN4CCCOCC4)CC[C@@H]32)cc1 ZINC000463109382 515371767 /nfs/dbraw/zinc/37/17/67/515371767.db2.gz QSWQFTLLJOPRHK-VXKWHMMOSA-N 1 3 357.542 2.695 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@H]3CN(CCN4CCCOCC4)CC[C@@H]32)cc1 ZINC000463109382 515371779 /nfs/dbraw/zinc/37/17/79/515371779.db2.gz QSWQFTLLJOPRHK-VXKWHMMOSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000468478584 515379001 /nfs/dbraw/zinc/37/90/01/515379001.db2.gz KUSJTLSCAXIVJC-ZIFCJYIRSA-N 1 3 371.525 2.964 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459253303 515424802 /nfs/dbraw/zinc/42/48/02/515424802.db2.gz HKUOPAYHFMAMPN-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459253303 515424813 /nfs/dbraw/zinc/42/48/13/515424813.db2.gz HKUOPAYHFMAMPN-QGZVFWFLSA-N 1 3 362.518 2.617 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459273639 515439695 /nfs/dbraw/zinc/43/96/95/515439695.db2.gz YHZPEFVVSBLLRV-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459273639 515439707 /nfs/dbraw/zinc/43/97/07/515439707.db2.gz YHZPEFVVSBLLRV-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473026645 515484605 /nfs/dbraw/zinc/48/46/05/515484605.db2.gz YBEXIRQLYBRQLJ-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473026645 515484614 /nfs/dbraw/zinc/48/46/14/515484614.db2.gz YBEXIRQLYBRQLJ-YLJYHZDGSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@]4(C)C3)CC2)CC1 ZINC000454454726 515502782 /nfs/dbraw/zinc/50/27/82/515502782.db2.gz MNTMLPYITUBGHT-IMLKGASGSA-N 1 3 374.573 2.623 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCN(C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326104 515503594 /nfs/dbraw/zinc/50/35/94/515503594.db2.gz VFWBIVLXCKXNDH-MISYRCLQSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CCN(C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000510326104 515503605 /nfs/dbraw/zinc/50/36/05/515503605.db2.gz VFWBIVLXCKXNDH-MISYRCLQSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000481951695 515525519 /nfs/dbraw/zinc/52/55/19/515525519.db2.gz RTMULVGXUWPJFH-AYOQOUSVSA-N 1 3 351.922 2.643 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000481951695 515525522 /nfs/dbraw/zinc/52/55/22/515525522.db2.gz RTMULVGXUWPJFH-AYOQOUSVSA-N 1 3 351.922 2.643 20 0 FFADHO O=C(C1CCCCC1)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459433324 515549441 /nfs/dbraw/zinc/54/94/41/515549441.db2.gz GNKGQSZXRCLXNY-IBGZPJMESA-N 1 3 356.514 2.821 20 0 FFADHO C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1=CCN(C)CC1 ZINC000510547884 515581002 /nfs/dbraw/zinc/58/10/02/515581002.db2.gz KSDYRXFBLJZARX-ZACQAIPSSA-N 1 3 350.551 2.693 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)[N@H+](C)C1CC1 ZINC000454643760 515633702 /nfs/dbraw/zinc/63/37/02/515633702.db2.gz HBCGKSOUDBZYGB-ROUUACIJSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000454643760 515633713 /nfs/dbraw/zinc/63/37/13/515633713.db2.gz HBCGKSOUDBZYGB-ROUUACIJSA-N 1 3 358.530 2.633 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494038143 515716778 /nfs/dbraw/zinc/71/67/78/515716778.db2.gz NJYXCZPVVMIDHI-IEBWSBKVSA-N 1 3 363.571 2.841 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OC(F)F)cc1 ZINC000482562462 515720532 /nfs/dbraw/zinc/72/05/32/515720532.db2.gz FWYKPXLVVDKRLB-UKRRQHHQSA-N 1 3 355.429 2.526 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(I)cc1 ZINC000511027832 515748999 /nfs/dbraw/zinc/74/89/99/515748999.db2.gz JAMWFVJGNSHTPF-DOMZBBRYSA-N 1 3 374.266 2.600 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(I)cc1 ZINC000511027832 515749007 /nfs/dbraw/zinc/74/90/07/515749007.db2.gz JAMWFVJGNSHTPF-DOMZBBRYSA-N 1 3 374.266 2.600 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000500547797 515764028 /nfs/dbraw/zinc/76/40/28/515764028.db2.gz YZSPALZGUWGRKL-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000473936669 515808894 /nfs/dbraw/zinc/80/88/94/515808894.db2.gz KIZYRYAGXAZLQV-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000473936669 515808905 /nfs/dbraw/zinc/80/89/05/515808905.db2.gz KIZYRYAGXAZLQV-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC/C=C\c3ccncc3)c2)C1 ZINC000487315857 515826363 /nfs/dbraw/zinc/82/63/63/515826363.db2.gz ZEMIYDVDYBWBFM-JZPIVDQYSA-N 1 3 364.493 2.582 20 0 FFADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC/C=C\c3ccncc3)c2)C1 ZINC000487315857 515826369 /nfs/dbraw/zinc/82/63/69/515826369.db2.gz ZEMIYDVDYBWBFM-JZPIVDQYSA-N 1 3 364.493 2.582 20 0 FFADHO C[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000511250954 515842452 /nfs/dbraw/zinc/84/24/52/515842452.db2.gz HTOBXAVLDNFMTA-QGZVFWFLSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C1=CCN(C)CC1 ZINC000511250954 515842459 /nfs/dbraw/zinc/84/24/59/515842459.db2.gz HTOBXAVLDNFMTA-QGZVFWFLSA-N 1 3 358.530 2.847 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)ccn1 ZINC000474018831 515843754 /nfs/dbraw/zinc/84/37/54/515843754.db2.gz ALISNGQPGQPQEB-KSEOMHKRSA-N 1 3 372.557 2.779 20 0 FFADHO CC[C@@H]1CN(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1 ZINC000494445794 515846426 /nfs/dbraw/zinc/84/64/26/515846426.db2.gz KSHVPDBCPVGDCO-YUMYIRISSA-N 1 3 357.542 2.597 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000494445794 515846437 /nfs/dbraw/zinc/84/64/37/515846437.db2.gz KSHVPDBCPVGDCO-YUMYIRISSA-N 1 3 357.542 2.597 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000494445794 515846450 /nfs/dbraw/zinc/84/64/50/515846450.db2.gz KSHVPDBCPVGDCO-YUMYIRISSA-N 1 3 357.542 2.597 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000483050393 515903017 /nfs/dbraw/zinc/90/30/17/515903017.db2.gz XEVITRBWWOOHQS-APWZRJJASA-N 1 3 360.502 2.575 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000483050393 515903024 /nfs/dbraw/zinc/90/30/24/515903024.db2.gz XEVITRBWWOOHQS-APWZRJJASA-N 1 3 360.502 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000494681716 515921984 /nfs/dbraw/zinc/92/19/84/515921984.db2.gz UROCMZMUQQVXHP-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000511568031 515946907 /nfs/dbraw/zinc/94/69/07/515946907.db2.gz XFHJPJIZLBLXAF-ICSRJNTNSA-N 1 3 370.541 2.823 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000511568031 515946913 /nfs/dbraw/zinc/94/69/13/515946913.db2.gz XFHJPJIZLBLXAF-ICSRJNTNSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000483140146 515947462 /nfs/dbraw/zinc/94/74/62/515947462.db2.gz ZKIAFTWEKXXEDR-LJQANCHMSA-N 1 3 353.938 2.771 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474313460 515987669 /nfs/dbraw/zinc/98/76/69/515987669.db2.gz QNHVQPLCFVSHFZ-JOCHJYFZSA-N 1 3 363.505 2.942 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](C)C1 ZINC000487815219 515988840 /nfs/dbraw/zinc/98/88/40/515988840.db2.gz BUROFZLHDZRYHA-USYVTKNRSA-N 1 3 364.578 2.726 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](C)C1 ZINC000487815219 515988850 /nfs/dbraw/zinc/98/88/50/515988850.db2.gz BUROFZLHDZRYHA-USYVTKNRSA-N 1 3 364.578 2.726 20 0 FFADHO CC(C)COc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469868163 516006314 /nfs/dbraw/zinc/00/63/14/516006314.db2.gz YAZQWVZDQDXJNZ-TZIWHRDSSA-N 1 3 373.541 2.802 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)CC(C)C ZINC000457618459 516013875 /nfs/dbraw/zinc/01/38/75/516013875.db2.gz OBGLWWGMZYSOLX-UYAOXDASSA-N 1 3 352.567 2.870 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000501223869 516020336 /nfs/dbraw/zinc/02/03/36/516020336.db2.gz XIVHEMYHBMXQEK-HXUWFJFHSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000474517770 516078154 /nfs/dbraw/zinc/07/81/54/516078154.db2.gz HHYSCZYSHMBWQF-PPXMBRMGSA-N 1 3 370.541 2.966 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000511921673 516080165 /nfs/dbraw/zinc/08/01/65/516080165.db2.gz VKLCZXMRSMLVQZ-KRWDZBQOSA-N 1 3 350.507 2.536 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000511921673 516080174 /nfs/dbraw/zinc/08/01/74/516080174.db2.gz VKLCZXMRSMLVQZ-KRWDZBQOSA-N 1 3 350.507 2.536 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460275513 516096617 /nfs/dbraw/zinc/09/66/17/516096617.db2.gz GTFSODLBXBOHKB-UHFFFAOYSA-N 1 3 353.551 2.504 20 0 FFADHO [NH3+]C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479194931 516101643 /nfs/dbraw/zinc/10/16/43/516101643.db2.gz YSIAHODMLKZIEY-VQTJNVASSA-N 1 3 355.457 2.649 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000507200567 516122390 /nfs/dbraw/zinc/12/23/90/516122390.db2.gz DEJLSDXLQBIXRH-ROUUACIJSA-N 1 3 365.468 2.600 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCC1 ZINC000455339061 516130443 /nfs/dbraw/zinc/13/04/43/516130443.db2.gz UNGHHQBDAXJFCZ-NRFANRHFSA-N 1 3 370.541 2.778 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCC1 ZINC000455339061 516130453 /nfs/dbraw/zinc/13/04/53/516130453.db2.gz UNGHHQBDAXJFCZ-NRFANRHFSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501507010 516130724 /nfs/dbraw/zinc/13/07/24/516130724.db2.gz WVVMNABYHOCZBT-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501507010 516130733 /nfs/dbraw/zinc/13/07/33/516130733.db2.gz WVVMNABYHOCZBT-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501516987 516137551 /nfs/dbraw/zinc/13/75/51/516137551.db2.gz GCNKCGNGNXTOIN-UYAOXDASSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501516987 516137555 /nfs/dbraw/zinc/13/75/55/516137555.db2.gz GCNKCGNGNXTOIN-UYAOXDASSA-N 1 3 358.530 2.997 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000465398728 516140092 /nfs/dbraw/zinc/14/00/92/516140092.db2.gz GANATYFLLDIFBQ-HXUWFJFHSA-N 1 3 364.578 2.872 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000465398728 516140098 /nfs/dbraw/zinc/14/00/98/516140098.db2.gz GANATYFLLDIFBQ-HXUWFJFHSA-N 1 3 364.578 2.872 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479329262 516152552 /nfs/dbraw/zinc/15/25/52/516152552.db2.gz GRGMLXRDFOSTTE-NRFANRHFSA-N 1 3 367.541 2.867 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000479344929 516158897 /nfs/dbraw/zinc/15/88/97/516158897.db2.gz JGTVVRPMDPKFSA-GJYPPUQNSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC000479344929 516158903 /nfs/dbraw/zinc/15/89/03/516158903.db2.gz JGTVVRPMDPKFSA-GJYPPUQNSA-N 1 3 364.509 2.991 20 0 FFADHO C[N@H+](CCCNC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000501575255 516159683 /nfs/dbraw/zinc/15/96/83/516159683.db2.gz YZWMHBHAZLFKLS-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CCN(C2CCCC2)CC1)C1CCCCC1 ZINC000501575255 516159691 /nfs/dbraw/zinc/15/96/91/516159691.db2.gz YZWMHBHAZLFKLS-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCc2cc(Br)ccc21)CN1CCCC1 ZINC000479361937 516165651 /nfs/dbraw/zinc/16/56/51/516165651.db2.gz QSILSHCURJSMCX-NVXWUHKLSA-N 1 3 353.304 2.873 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474724067 516170800 /nfs/dbraw/zinc/17/08/00/516170800.db2.gz ACBZCXTWSNORBF-MSOLQXFVSA-N 1 3 367.965 2.812 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000470236204 516180666 /nfs/dbraw/zinc/18/06/66/516180666.db2.gz DLKGSGVDFJQAAD-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000470236204 516180677 /nfs/dbraw/zinc/18/06/77/516180677.db2.gz DLKGSGVDFJQAAD-NHCUHLMSSA-N 1 3 355.526 2.841 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1 ZINC000483729959 516192890 /nfs/dbraw/zinc/19/28/90/516192890.db2.gz QOUSEEIYJRKMHP-DENIHFKCSA-N 1 3 373.585 2.812 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)c(F)c1 ZINC000465719581 516240064 /nfs/dbraw/zinc/24/00/64/516240064.db2.gz NHBVCZVBRWYGSN-INIZCTEOSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)c(F)c1 ZINC000465719581 516240069 /nfs/dbraw/zinc/24/00/69/516240069.db2.gz NHBVCZVBRWYGSN-INIZCTEOSA-N 1 3 368.472 2.522 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000501850593 516242718 /nfs/dbraw/zinc/24/27/18/516242718.db2.gz AUACFTAACFUMAX-IBGZPJMESA-N 1 3 372.557 2.821 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000501850593 516242727 /nfs/dbraw/zinc/24/27/27/516242727.db2.gz AUACFTAACFUMAX-IBGZPJMESA-N 1 3 372.557 2.821 20 0 FFADHO CN(CCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465754640 516248717 /nfs/dbraw/zinc/24/87/17/516248717.db2.gz LTNPAFHABDQXBD-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO CN(CCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465754640 516248724 /nfs/dbraw/zinc/24/87/24/516248724.db2.gz LTNPAFHABDQXBD-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(c2ccccc2NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470459887 516260259 /nfs/dbraw/zinc/26/02/59/516260259.db2.gz MTVZBTUFKWSBHE-UHFFFAOYSA-N 1 3 350.466 2.684 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)CC1 ZINC000496447058 516261132 /nfs/dbraw/zinc/26/11/32/516261132.db2.gz IEMAMETVYNRWMX-GOSISDBHSA-N 1 3 355.486 2.509 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](c3nc(C)no3)C2)CC1 ZINC000496447058 516261138 /nfs/dbraw/zinc/26/11/38/516261138.db2.gz IEMAMETVYNRWMX-GOSISDBHSA-N 1 3 355.486 2.509 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000501913629 516264991 /nfs/dbraw/zinc/26/49/91/516264991.db2.gz KPMJYRLPAGHHHC-APWZRJJASA-N 1 3 364.509 2.992 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[N@@H+]1C ZINC000465825245 516267586 /nfs/dbraw/zinc/26/75/86/516267586.db2.gz CUDYKNYNHVHYNE-BRWVUGGUSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[N@H+]1C ZINC000465825245 516267593 /nfs/dbraw/zinc/26/75/93/516267593.db2.gz CUDYKNYNHVHYNE-BRWVUGGUSA-N 1 3 364.559 2.742 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000465826820 516267991 /nfs/dbraw/zinc/26/79/91/516267991.db2.gz RHORWFJMLFPKKV-VQTJNVASSA-N 1 3 358.530 2.915 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000465826820 516267997 /nfs/dbraw/zinc/26/79/97/516267997.db2.gz RHORWFJMLFPKKV-VQTJNVASSA-N 1 3 358.530 2.915 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000484076962 516291689 /nfs/dbraw/zinc/29/16/89/516291689.db2.gz MDSFRQDOBFYUSV-KXBFYZLASA-N 1 3 369.912 2.816 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000484076962 516291694 /nfs/dbraw/zinc/29/16/94/516291694.db2.gz MDSFRQDOBFYUSV-KXBFYZLASA-N 1 3 369.912 2.816 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000497505421 516324464 /nfs/dbraw/zinc/32/44/64/516324464.db2.gz BCEXPTDPCBFDFX-HXUWFJFHSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000497505421 516324465 /nfs/dbraw/zinc/32/44/65/516324465.db2.gz BCEXPTDPCBFDFX-HXUWFJFHSA-N 1 3 373.541 2.524 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000497508912 516324708 /nfs/dbraw/zinc/32/47/08/516324708.db2.gz LJYLRDJGHNDCSW-IBGZPJMESA-N 1 3 361.530 2.550 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000497508912 516324709 /nfs/dbraw/zinc/32/47/09/516324709.db2.gz LJYLRDJGHNDCSW-IBGZPJMESA-N 1 3 361.530 2.550 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)CCN1CCCC1)Cc1ccccc1 ZINC000497592499 516327485 /nfs/dbraw/zinc/32/74/85/516327485.db2.gz PCAJLLCFZMSKFI-FQEVSTJZSA-N 1 3 360.546 2.677 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000497620775 516328144 /nfs/dbraw/zinc/32/81/44/516328144.db2.gz HXKZPRZUBZXGNF-PXNSSMCTSA-N 1 3 374.529 2.612 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000497620775 516328145 /nfs/dbraw/zinc/32/81/45/516328145.db2.gz HXKZPRZUBZXGNF-PXNSSMCTSA-N 1 3 374.529 2.612 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)C1 ZINC000497623944 516328397 /nfs/dbraw/zinc/32/83/97/516328397.db2.gz PRVXKTISSBLNDN-KURKYZTESA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)C1 ZINC000497623944 516328398 /nfs/dbraw/zinc/32/83/98/516328398.db2.gz PRVXKTISSBLNDN-KURKYZTESA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000522852300 516331776 /nfs/dbraw/zinc/33/17/76/516331776.db2.gz SQYGLKYSNPOFQO-FPOVZHCZSA-N 1 3 357.542 2.932 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000522852300 516331781 /nfs/dbraw/zinc/33/17/81/516331781.db2.gz SQYGLKYSNPOFQO-FPOVZHCZSA-N 1 3 357.542 2.932 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000561008560 516332830 /nfs/dbraw/zinc/33/28/30/516332830.db2.gz OQZRDPMKAKNPOX-PBHICJAKSA-N 1 3 354.926 2.972 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000561008560 516332836 /nfs/dbraw/zinc/33/28/36/516332836.db2.gz OQZRDPMKAKNPOX-PBHICJAKSA-N 1 3 354.926 2.972 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000561008562 516333254 /nfs/dbraw/zinc/33/32/54/516333254.db2.gz OQZRDPMKAKNPOX-WMLDXEAASA-N 1 3 354.926 2.972 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000561008562 516333261 /nfs/dbraw/zinc/33/32/61/516333261.db2.gz OQZRDPMKAKNPOX-WMLDXEAASA-N 1 3 354.926 2.972 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3Cc4c3cccc4Cl)CC2)CC1 ZINC000528318519 516344445 /nfs/dbraw/zinc/34/44/45/516344445.db2.gz ZFWYDWDDACODRH-SFHVURJKSA-N 1 3 361.917 2.655 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000543683522 516365057 /nfs/dbraw/zinc/36/50/57/516365057.db2.gz DJHIBBXFYLUTRK-QGZVFWFLSA-N 1 3 373.545 2.670 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000561151807 516410536 /nfs/dbraw/zinc/41/05/36/516410536.db2.gz WXCOVMJVGPMQHV-IHPCNDPISA-N 1 3 358.530 2.819 20 0 FFADHO C[C@@]1(CNC(=O)NCC2(C)CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000561202725 516449200 /nfs/dbraw/zinc/44/92/00/516449200.db2.gz ACUFFMDGEONGSG-NRFANRHFSA-N 1 3 358.530 2.730 20 0 FFADHO C[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)N(C)Cc1ccccc1 ZINC000557853209 516471590 /nfs/dbraw/zinc/47/15/90/516471590.db2.gz ZCTDHGVNXIXOTM-NLWGTHIKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000517906457 516488280 /nfs/dbraw/zinc/48/82/80/516488280.db2.gz RWUMMYPUQRTDBU-KSZLIROESA-N 1 3 361.530 2.547 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000517906457 516488293 /nfs/dbraw/zinc/48/82/93/516488293.db2.gz RWUMMYPUQRTDBU-KSZLIROESA-N 1 3 361.530 2.547 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531482948 516490769 /nfs/dbraw/zinc/49/07/69/516490769.db2.gz ANDAQCYOCHQWSQ-HLAWJBBLSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000531482948 516490777 /nfs/dbraw/zinc/49/07/77/516490777.db2.gz ANDAQCYOCHQWSQ-HLAWJBBLSA-N 1 3 372.557 2.927 20 0 FFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000523519763 516495748 /nfs/dbraw/zinc/49/57/48/516495748.db2.gz ACEXEUHTWAWBCG-HDICACEKSA-N 1 3 360.546 2.915 20 0 FFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000523519763 516495755 /nfs/dbraw/zinc/49/57/55/516495755.db2.gz ACEXEUHTWAWBCG-HDICACEKSA-N 1 3 360.546 2.915 20 0 FFADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000547706794 516511169 /nfs/dbraw/zinc/51/11/69/516511169.db2.gz ZMPPNZHLEAOXLR-ROUUACIJSA-N 1 3 360.527 2.996 20 0 FFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C1CC1 ZINC000523627862 516524297 /nfs/dbraw/zinc/52/42/97/516524297.db2.gz OLDBRKPVRQYHJD-UHFFFAOYSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C1CC1 ZINC000523627862 516524305 /nfs/dbraw/zinc/52/43/05/516524305.db2.gz OLDBRKPVRQYHJD-UHFFFAOYSA-N 1 3 368.472 2.522 20 0 FFADHO CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000531571961 516535087 /nfs/dbraw/zinc/53/50/87/516535087.db2.gz MJBMRWHARWNGFP-SFHVURJKSA-N 1 3 370.488 2.941 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535938241 516565582 /nfs/dbraw/zinc/56/55/82/516565582.db2.gz SORDTLAFLFCPPM-HXUWFJFHSA-N 1 3 358.530 2.622 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000523901961 516605116 /nfs/dbraw/zinc/60/51/16/516605116.db2.gz AQAXEXUHDQXZBJ-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000523901961 516605123 /nfs/dbraw/zinc/60/51/23/516605123.db2.gz AQAXEXUHDQXZBJ-GOSISDBHSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551264290 516630799 /nfs/dbraw/zinc/63/07/99/516630799.db2.gz XRMBEWJBZBUJMO-CEMLEFRQSA-N 1 3 371.569 2.845 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000551264289 516632220 /nfs/dbraw/zinc/63/22/20/516632220.db2.gz XRMBEWJBZBUJMO-BAGYTPMASA-N 1 3 371.569 2.845 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528718980 516643803 /nfs/dbraw/zinc/64/38/03/516643803.db2.gz HLYZUFKCELHFSY-APWZRJJASA-N 1 3 370.497 2.649 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528718980 516643810 /nfs/dbraw/zinc/64/38/10/516643810.db2.gz HLYZUFKCELHFSY-APWZRJJASA-N 1 3 370.497 2.649 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528721535 516645502 /nfs/dbraw/zinc/64/55/02/516645502.db2.gz RBCQEUPNLQNFFH-MRXNPFEDSA-N 1 3 360.502 2.658 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528721535 516645511 /nfs/dbraw/zinc/64/55/11/516645511.db2.gz RBCQEUPNLQNFFH-MRXNPFEDSA-N 1 3 360.502 2.658 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000558285788 516679416 /nfs/dbraw/zinc/67/94/16/516679416.db2.gz FWJRBKVJQFYJRX-UHFFFAOYSA-N 1 3 362.518 2.967 20 0 FFADHO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n(C2CCN(C)CC2)n1 ZINC000558387164 516716522 /nfs/dbraw/zinc/71/65/22/516716522.db2.gz OZDOXWVQVKEGER-WMZOPIPTSA-N 1 3 374.533 2.549 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)c1 ZINC000524779950 516828461 /nfs/dbraw/zinc/82/84/61/516828461.db2.gz ZDTDVYLFEJWGDQ-KPFFTGBYSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)c1 ZINC000524779950 516828467 /nfs/dbraw/zinc/82/84/67/516828467.db2.gz ZDTDVYLFEJWGDQ-KPFFTGBYSA-N 1 3 374.529 2.614 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000524930563 516871383 /nfs/dbraw/zinc/87/13/83/516871383.db2.gz VREAWYNSUNTJTE-IBGZPJMESA-N 1 3 360.546 2.934 20 0 FFADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000541220963 516936104 /nfs/dbraw/zinc/93/61/04/516936104.db2.gz HDHSFRKWEMRNRF-GJZGRUSLSA-N 1 3 360.502 2.682 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000525165076 516939557 /nfs/dbraw/zinc/93/95/57/516939557.db2.gz OZECKJDQXPRASC-VQTJNVASSA-N 1 3 358.530 2.626 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000525165076 516939563 /nfs/dbraw/zinc/93/95/63/516939563.db2.gz OZECKJDQXPRASC-VQTJNVASSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525310764 517006513 /nfs/dbraw/zinc/00/65/13/517006513.db2.gz NFFREXCLARUVJW-IBGZPJMESA-N 1 3 366.525 2.528 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(SC)cn1 ZINC000541473656 517064717 /nfs/dbraw/zinc/06/47/17/517064717.db2.gz OAQTXCCSPNKBIS-OAHLLOKOSA-N 1 3 365.547 2.683 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(SC)cn1 ZINC000541473656 517064723 /nfs/dbraw/zinc/06/47/23/517064723.db2.gz OAQTXCCSPNKBIS-OAHLLOKOSA-N 1 3 365.547 2.683 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000514854766 517092375 /nfs/dbraw/zinc/09/23/75/517092375.db2.gz LWULKLQUUMYGAX-CEMLEFRQSA-N 1 3 358.574 2.876 20 0 FFADHO COc1cncc(/C=C/CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000514858667 517094312 /nfs/dbraw/zinc/09/43/12/517094312.db2.gz CJEHAADNDUPXQY-DWJFKFJTSA-N 1 3 370.541 2.736 20 0 FFADHO COc1cncc(/C=C/CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000514858667 517094318 /nfs/dbraw/zinc/09/43/18/517094318.db2.gz CJEHAADNDUPXQY-DWJFKFJTSA-N 1 3 370.541 2.736 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000514962085 517144236 /nfs/dbraw/zinc/14/42/36/517144236.db2.gz AGWWXWDUOSPWJL-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO O=C1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000552263706 517167367 /nfs/dbraw/zinc/16/73/67/517167367.db2.gz MYJVABDAJGWELM-JSXRDJHFSA-N 1 3 355.526 2.936 20 0 FFADHO COC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCCC1 ZINC000525867946 517207463 /nfs/dbraw/zinc/20/74/63/517207463.db2.gz NRJLHWQEHPAJKY-OAQYLSRUSA-N 1 3 373.541 2.807 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000515221359 517261073 /nfs/dbraw/zinc/26/10/73/517261073.db2.gz YFOVWWLFLDCBNT-TYPHKJRUSA-N 1 3 370.541 2.728 20 0 FFADHO O=C(CCN1CCC[C@H](N2CCCC2=O)CC1)c1ccc2c(c1)OCCO2 ZINC000562704934 517318117 /nfs/dbraw/zinc/31/81/17/517318117.db2.gz NIDCUDXZEZFPQU-KRWDZBQOSA-N 1 3 372.465 2.508 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])N(C)C)cc1 ZINC000520404273 517381643 /nfs/dbraw/zinc/38/16/43/517381643.db2.gz YTWQTRKZYKZCAS-SFTDATJTSA-N 1 3 366.509 2.865 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000562772477 517384704 /nfs/dbraw/zinc/38/47/04/517384704.db2.gz AUTCDQBQPVMEIQ-MRXNPFEDSA-N 1 3 360.502 2.658 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000562772477 517384712 /nfs/dbraw/zinc/38/47/12/517384712.db2.gz AUTCDQBQPVMEIQ-MRXNPFEDSA-N 1 3 360.502 2.658 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000545859723 517399048 /nfs/dbraw/zinc/39/90/48/517399048.db2.gz WRKBMHVWVORENV-HXUWFJFHSA-N 1 3 356.514 2.602 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000545859723 517399054 /nfs/dbraw/zinc/39/90/54/517399054.db2.gz WRKBMHVWVORENV-HXUWFJFHSA-N 1 3 356.514 2.602 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000542137520 517400872 /nfs/dbraw/zinc/40/08/72/517400872.db2.gz QHBSXGJDRUAKOR-HZPDHXFCSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000542137520 517400884 /nfs/dbraw/zinc/40/08/84/517400884.db2.gz QHBSXGJDRUAKOR-HZPDHXFCSA-N 1 3 372.513 2.684 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000562803294 517416768 /nfs/dbraw/zinc/41/67/68/517416768.db2.gz SLCDSPBHZSESPL-MLYOOKFZSA-N 1 3 358.530 2.886 20 0 FFADHO C[C@@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000520541664 517428036 /nfs/dbraw/zinc/42/80/36/517428036.db2.gz VFXFXPOLECHODK-QZTJIDSGSA-N 1 3 374.529 3.000 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1)CC(C)C ZINC000538075637 517458889 /nfs/dbraw/zinc/45/88/89/517458889.db2.gz VYVCDWFGZGTLIX-LJQANCHMSA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1)CC(C)C ZINC000538075637 517458896 /nfs/dbraw/zinc/45/88/96/517458896.db2.gz VYVCDWFGZGTLIX-LJQANCHMSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3ccn(C)n3)cc2)C[C@H]1C ZINC000538122801 517471809 /nfs/dbraw/zinc/47/18/09/517471809.db2.gz RHHHHBXJOAAXEH-QZTJIDSGSA-N 1 3 356.514 2.719 20 0 FFADHO CN1CCO[C@H]([C@@H](NC2CCC(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000562960656 517534533 /nfs/dbraw/zinc/53/45/33/517534533.db2.gz UKSWZRLHNUIEFB-OTQHQDGKSA-N 1 3 351.922 2.819 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553127553 517535763 /nfs/dbraw/zinc/53/57/63/517535763.db2.gz JFLLLYMTMVAJCZ-QZTJIDSGSA-N 1 3 353.576 2.585 20 0 FFADHO COc1cncc(/C=C\CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000516055484 517550300 /nfs/dbraw/zinc/55/03/00/517550300.db2.gz FCDLCQFIADFHHW-XQRVVYSFSA-N 1 3 372.557 2.843 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3sc(C)nc3C)CC2)CC1 ZINC000553162211 517551796 /nfs/dbraw/zinc/55/17/96/517551796.db2.gz IVLAYDPYJIWVPK-UHFFFAOYSA-N 1 3 350.532 2.895 20 0 FFADHO C[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)N1CCC(Cc2ccccc2)CC1 ZINC000516062635 517552924 /nfs/dbraw/zinc/55/29/24/517552924.db2.gz FEOVMDFFCSCAOE-WIYYLYMNSA-N 1 3 357.542 2.978 20 0 FFADHO [NH3+]Cc1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc(C(F)(F)F)c1 ZINC000516060874 517553641 /nfs/dbraw/zinc/55/36/41/517553641.db2.gz LDBDFLVJBDWTSN-INIZCTEOSA-N 1 3 371.403 2.746 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CCc3ccco3)CC2)CC1 ZINC000553200007 517572208 /nfs/dbraw/zinc/57/22/08/517572208.db2.gz CDLIHRVDSSLXCF-QGZVFWFLSA-N 1 3 361.530 2.913 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C[C@@H](C)O1 ZINC000533740670 517593664 /nfs/dbraw/zinc/59/36/64/517593664.db2.gz PJIKSPCBWPFYIU-INMHGKMJSA-N 1 3 353.532 2.974 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C12CCCC2 ZINC000538393026 517600283 /nfs/dbraw/zinc/60/02/83/517600283.db2.gz GZRDWOHDRKUUSD-LEWJYISDSA-N 1 3 372.557 2.921 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000533810683 517623792 /nfs/dbraw/zinc/62/37/92/517623792.db2.gz FOQCNBRKXHGKAS-LJQANCHMSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000533810683 517623799 /nfs/dbraw/zinc/62/37/99/517623799.db2.gz FOQCNBRKXHGKAS-LJQANCHMSA-N 1 3 360.546 2.675 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CNCc4ccccc43)C2)CC1 ZINC000563064609 517625354 /nfs/dbraw/zinc/62/53/54/517625354.db2.gz RORLPQSDLLUPJH-WIYYLYMNSA-N 1 3 355.526 2.844 20 0 FFADHO C[N@H+](Cc1ccccc1CNC(=O)C(N)C(F)(F)F)C1CCCCC1 ZINC000521231480 517662028 /nfs/dbraw/zinc/66/20/28/517662028.db2.gz OJDHMAWCWIAYDN-MRXNPFEDSA-N 1 3 357.420 2.957 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC(=O)C(N)C(F)(F)F)C1CCCCC1 ZINC000521231480 517662031 /nfs/dbraw/zinc/66/20/31/517662031.db2.gz OJDHMAWCWIAYDN-MRXNPFEDSA-N 1 3 357.420 2.957 20 0 FFADHO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C)C3)c(OCC)c2)CC1 ZINC000560399689 517769398 /nfs/dbraw/zinc/76/93/98/517769398.db2.gz QNTVNWOVKKJHQN-QGZVFWFLSA-N 1 3 374.529 2.508 20 0 FFADHO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)c(OCC)c2)CC1 ZINC000560399689 517769408 /nfs/dbraw/zinc/76/94/08/517769408.db2.gz QNTVNWOVKKJHQN-QGZVFWFLSA-N 1 3 374.529 2.508 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000553558150 517781814 /nfs/dbraw/zinc/78/18/14/517781814.db2.gz DWGJEWNKNNGZTL-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000553558150 517781827 /nfs/dbraw/zinc/78/18/27/517781827.db2.gz DWGJEWNKNNGZTL-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO CN(c1ccccc1CN1CCSC[C@H]1CCO)C1CC[NH+](C)CC1 ZINC000538813165 517789953 /nfs/dbraw/zinc/78/99/53/517789953.db2.gz FKSHVPWWYMCIBA-LJQANCHMSA-N 1 3 363.571 2.517 20 0 FFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)c2)CCO1 ZINC000560527878 517874606 /nfs/dbraw/zinc/87/46/06/517874606.db2.gz GIJONSYDPZIORF-BRKWEVRTSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)c2)CCO1 ZINC000560527878 517874610 /nfs/dbraw/zinc/87/46/10/517874610.db2.gz GIJONSYDPZIORF-BRKWEVRTSA-N 1 3 357.542 2.870 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)c2)CCO1 ZINC000560527878 517874615 /nfs/dbraw/zinc/87/46/15/517874615.db2.gz GIJONSYDPZIORF-BRKWEVRTSA-N 1 3 357.542 2.870 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000534444418 517897987 /nfs/dbraw/zinc/89/79/87/517897987.db2.gz VPXSWXYPXMJHLQ-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000553795638 517911500 /nfs/dbraw/zinc/91/15/00/517911500.db2.gz DCINPLWDJBWHAK-WIYYLYMNSA-N 1 3 359.489 2.592 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000553795638 517911512 /nfs/dbraw/zinc/91/15/12/517911512.db2.gz DCINPLWDJBWHAK-WIYYLYMNSA-N 1 3 359.489 2.592 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000534522227 517925667 /nfs/dbraw/zinc/92/56/67/517925667.db2.gz DTXZUIZXMGPTLG-NRFANRHFSA-N 1 3 374.573 2.923 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000557223312 517927106 /nfs/dbraw/zinc/92/71/06/517927106.db2.gz BWRHHUMMMDGPJM-NRFANRHFSA-N 1 3 373.545 2.719 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000563481808 517927065 /nfs/dbraw/zinc/92/70/65/517927065.db2.gz IQFUWIIWXBEPJU-SFHVURJKSA-N 1 3 359.518 2.826 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000563481808 517927076 /nfs/dbraw/zinc/92/70/76/517927076.db2.gz IQFUWIIWXBEPJU-SFHVURJKSA-N 1 3 359.518 2.826 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000522176929 518020109 /nfs/dbraw/zinc/02/01/09/518020109.db2.gz FIDUFLOGPAEODJ-SFTDATJTSA-N 1 3 372.557 2.920 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522204976 518033084 /nfs/dbraw/zinc/03/30/84/518033084.db2.gz YOQRTEDKUZKQSN-WOJBJXKFSA-N 1 3 358.530 2.674 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522204976 518033094 /nfs/dbraw/zinc/03/30/94/518033094.db2.gz YOQRTEDKUZKQSN-WOJBJXKFSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000517140975 518039476 /nfs/dbraw/zinc/03/94/76/518039476.db2.gz YGCHEFFNHHFJEU-OXJNMPFZSA-N 1 3 352.482 2.780 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000557514227 518046842 /nfs/dbraw/zinc/04/68/42/518046842.db2.gz GXEKGILGSAAYAO-IBGZPJMESA-N 1 3 361.555 2.582 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000522429367 518105079 /nfs/dbraw/zinc/10/50/79/518105079.db2.gz UFOOSYZBEVVLKO-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000522429367 518105084 /nfs/dbraw/zinc/10/50/84/518105084.db2.gz UFOOSYZBEVVLKO-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000522602133 518132659 /nfs/dbraw/zinc/13/26/59/518132659.db2.gz VLSPGTMSLBLCOL-VQIMIIECSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H]1C[C@H]1c1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000522695670 518149290 /nfs/dbraw/zinc/14/92/90/518149290.db2.gz XNERXZMEKKGOQN-HNAYVOBHSA-N 1 3 374.529 2.761 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000531161067 518157506 /nfs/dbraw/zinc/15/75/06/518157506.db2.gz WFNLCQCPYGUWRZ-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000531161067 518157508 /nfs/dbraw/zinc/15/75/08/518157508.db2.gz WFNLCQCPYGUWRZ-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000528284466 518163782 /nfs/dbraw/zinc/16/37/82/518163782.db2.gz GJIBOPROPYVLCT-AZUAARDMSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000528284466 518163786 /nfs/dbraw/zinc/16/37/86/518163786.db2.gz GJIBOPROPYVLCT-AZUAARDMSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535364507 518176662 /nfs/dbraw/zinc/17/66/62/518176662.db2.gz XMTRRPOJJWXAEW-KVPLUYHFSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535364507 518176663 /nfs/dbraw/zinc/17/66/63/518176663.db2.gz XMTRRPOJJWXAEW-KVPLUYHFSA-N 1 3 358.530 2.994 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000563861697 518206553 /nfs/dbraw/zinc/20/65/53/518206553.db2.gz PPTBCFCXGAKBRC-UHFFFAOYSA-N 1 3 362.518 2.617 20 0 FFADHO COc1cc(NC(=O)CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)cc1Cl ZINC000572476430 518210717 /nfs/dbraw/zinc/21/07/17/518210717.db2.gz XVAIOZCUSSKEEM-CHWSQXEVSA-N 1 3 369.893 2.758 20 0 FFADHO COc1cc(NC(=O)CCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)cc1Cl ZINC000572476430 518210722 /nfs/dbraw/zinc/21/07/22/518210722.db2.gz XVAIOZCUSSKEEM-CHWSQXEVSA-N 1 3 369.893 2.758 20 0 FFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000563889856 518215803 /nfs/dbraw/zinc/21/58/03/518215803.db2.gz XTOQVBUXDDVCSB-FPOVZHCZSA-N 1 3 355.526 2.785 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000581418468 518276493 /nfs/dbraw/zinc/27/64/93/518276493.db2.gz MNLWTNFVDJVBDB-QHAWAJNXSA-N 1 3 370.541 2.728 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000575846052 518305899 /nfs/dbraw/zinc/30/58/99/518305899.db2.gz IODRXROIMKRUQT-QGZVFWFLSA-N 1 3 370.607 2.766 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000575846052 518305905 /nfs/dbraw/zinc/30/59/05/518305905.db2.gz IODRXROIMKRUQT-QGZVFWFLSA-N 1 3 370.607 2.766 20 0 FFADHO CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000567026877 518315867 /nfs/dbraw/zinc/31/58/67/518315867.db2.gz XFDVQLVMXSCJPW-UHFFFAOYSA-N 1 3 365.477 2.866 20 0 FFADHO Clc1cccnc1OCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000584404851 518326318 /nfs/dbraw/zinc/32/63/18/518326318.db2.gz KBCVDXRIOSAVOT-QFBILLFUSA-N 1 3 359.857 2.959 20 0 FFADHO C[C@@]1(CNC(=O)NCc2ccc(C[NH3+])cc2)CCCN1Cc1ccccc1 ZINC000572719113 518328391 /nfs/dbraw/zinc/32/83/91/518328391.db2.gz INRVWGUBWMSRGV-QFIPXVFZSA-N 1 3 366.509 2.999 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000575894968 518333381 /nfs/dbraw/zinc/33/33/81/518333381.db2.gz UDDJIWADGIZPCX-UYAOXDASSA-N 1 3 370.497 2.804 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000569879511 518335883 /nfs/dbraw/zinc/33/58/83/518335883.db2.gz OSXNJBHITFPXEL-PKOBYXMFSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000575928259 518348577 /nfs/dbraw/zinc/34/85/77/518348577.db2.gz HBSDVCVYQBRRSQ-LJQANCHMSA-N 1 3 364.493 2.886 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](CSC)C3)CC2)CC1 ZINC000578764375 518364391 /nfs/dbraw/zinc/36/43/91/518364391.db2.gz HNDXYZNCOGLBKM-QGZVFWFLSA-N 1 3 367.603 2.784 20 0 FFADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1N1CCOCC1 ZINC000570100869 518440124 /nfs/dbraw/zinc/44/01/24/518440124.db2.gz XDJWNJKURPELNM-UHFFFAOYSA-N 1 3 351.494 2.801 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000576159655 518457355 /nfs/dbraw/zinc/45/73/55/518457355.db2.gz ZCKBHRLNQQUJPG-LEWJYISDSA-N 1 3 372.557 2.882 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC3)cc1 ZINC000576219056 518487493 /nfs/dbraw/zinc/48/74/93/518487493.db2.gz XFVLOCADSQHVRN-NCXUSEDFSA-N 1 3 369.488 2.909 20 0 FFADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000564567174 518506090 /nfs/dbraw/zinc/50/60/90/518506090.db2.gz LKHIDVMNAFRFHV-XJKSGUPXSA-N 1 3 357.420 2.594 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000567417268 518511705 /nfs/dbraw/zinc/51/17/05/518511705.db2.gz NCKXVRHUMFKQFN-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000573111100 518512925 /nfs/dbraw/zinc/51/29/25/518512925.db2.gz SVGLPRBGKKLRPK-DJIMGWMZSA-N 1 3 350.532 2.529 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CCc2ccccc2C1 ZINC000567594655 518604904 /nfs/dbraw/zinc/60/49/04/518604904.db2.gz YSXCOSMQGNNNPF-JOCHJYFZSA-N 1 3 370.541 2.608 20 0 FFADHO C[C@H]1CN(CCCCNC(=O)CC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000576519512 518633335 /nfs/dbraw/zinc/63/33/35/518633335.db2.gz HUMPTCWDPOKPRK-ROUUACIJSA-N 1 3 353.551 2.647 20 0 FFADHO C[C@H]1CN(CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000576519512 518633340 /nfs/dbraw/zinc/63/33/40/518633340.db2.gz HUMPTCWDPOKPRK-ROUUACIJSA-N 1 3 353.551 2.647 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)cc1 ZINC000567729834 518680295 /nfs/dbraw/zinc/68/02/95/518680295.db2.gz FNTWDQAHELGRNU-FQEVSTJZSA-N 1 3 369.509 2.969 20 0 FFADHO COc1ccc(CN(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000570633031 518703829 /nfs/dbraw/zinc/70/38/29/518703829.db2.gz WHDULBODGLGTBS-MOPGFXCFSA-N 1 3 371.525 2.508 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)OC(C)(C)C3)CC2)CC1 ZINC000579508389 518713032 /nfs/dbraw/zinc/71/30/32/518713032.db2.gz LUTDZMNOBOZLCN-UHFFFAOYSA-N 1 3 365.562 2.599 20 0 FFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000564989700 518731311 /nfs/dbraw/zinc/73/13/11/518731311.db2.gz XMJWZMSJCXBQCC-QWQRMKEZSA-N 1 3 365.880 2.906 20 0 FFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000564989699 518731486 /nfs/dbraw/zinc/73/14/86/518731486.db2.gz XMJWZMSJCXBQCC-PMUMKWKESA-N 1 3 365.880 2.906 20 0 FFADHO CN(C)CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C1CCCC1 ZINC000582406647 518737706 /nfs/dbraw/zinc/73/77/06/518737706.db2.gz CQBHIAPJCUNSTB-GOSISDBHSA-N 1 3 353.576 2.537 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000576738290 518739587 /nfs/dbraw/zinc/73/95/87/518739587.db2.gz JHFXSCUZVGVAAP-SFHVURJKSA-N 1 3 359.514 2.960 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000576738290 518739589 /nfs/dbraw/zinc/73/95/89/518739589.db2.gz JHFXSCUZVGVAAP-SFHVURJKSA-N 1 3 359.514 2.960 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000576738286 518739622 /nfs/dbraw/zinc/73/96/22/518739622.db2.gz JHFXSCUZVGVAAP-GOSISDBHSA-N 1 3 359.514 2.960 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000576738286 518739625 /nfs/dbraw/zinc/73/96/25/518739625.db2.gz JHFXSCUZVGVAAP-GOSISDBHSA-N 1 3 359.514 2.960 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(N(C)C(C)C)nc1 ZINC000570703529 518740720 /nfs/dbraw/zinc/74/07/20/518740720.db2.gz YHQMKFGQYOOKDX-HXUWFJFHSA-N 1 3 361.578 2.774 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(N(C)C(C)C)nc1 ZINC000570703529 518740724 /nfs/dbraw/zinc/74/07/24/518740724.db2.gz YHQMKFGQYOOKDX-HXUWFJFHSA-N 1 3 361.578 2.774 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000579572032 518744514 /nfs/dbraw/zinc/74/45/14/518744514.db2.gz VELQDENGQNYABY-LAUBAEHRSA-N 1 3 358.530 2.901 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000573659362 518770952 /nfs/dbraw/zinc/77/09/52/518770952.db2.gz VOUUEAPPASCZLC-AWEZNQCLSA-N 1 3 372.966 2.914 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000573667719 518776957 /nfs/dbraw/zinc/77/69/57/518776957.db2.gz WZIBCFZNLDSEHO-BFYDXBDKSA-N 1 3 350.532 2.572 20 0 FFADHO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000567902223 518777293 /nfs/dbraw/zinc/77/72/93/518777293.db2.gz HQLZKRBSMBPYSM-BDTNDASRSA-N 1 3 353.510 2.820 20 0 FFADHO CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000567902223 518777298 /nfs/dbraw/zinc/77/72/98/518777298.db2.gz HQLZKRBSMBPYSM-BDTNDASRSA-N 1 3 353.510 2.820 20 0 FFADHO CN(C)c1cccc([C@H]2CCCN2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000567902223 518777304 /nfs/dbraw/zinc/77/73/04/518777304.db2.gz HQLZKRBSMBPYSM-BDTNDASRSA-N 1 3 353.510 2.820 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000573713247 518800534 /nfs/dbraw/zinc/80/05/34/518800534.db2.gz VZZPASGWIYOFIN-IBGZPJMESA-N 1 3 362.901 2.974 20 0 FFADHO O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000582540661 518803008 /nfs/dbraw/zinc/80/30/08/518803008.db2.gz OSKHWWSWBVYMBP-QXAKKESOSA-N 1 3 357.498 2.507 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000576885767 518811651 /nfs/dbraw/zinc/81/16/51/518811651.db2.gz YNCGJHCQSGHBEB-LVFSCSRESA-N 1 3 363.933 2.880 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(SC)nc3)CC2)CC1 ZINC000582613519 518839826 /nfs/dbraw/zinc/83/98/26/518839826.db2.gz BFYIXJXPAAMMHA-UHFFFAOYSA-N 1 3 362.543 2.938 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCC1CC[NH2+]CC1 ZINC000577047216 518890266 /nfs/dbraw/zinc/89/02/66/518890266.db2.gz IKKQWMDLZAEZGP-FQEVSTJZSA-N 1 3 372.557 2.758 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000573942330 518912744 /nfs/dbraw/zinc/91/27/44/518912744.db2.gz WDTUQSWBHVDMLI-UYAOXDASSA-N 1 3 372.557 2.976 20 0 FFADHO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc4nc[nH]c4c3)CC2)CC1 ZINC000568189221 518914916 /nfs/dbraw/zinc/91/49/16/518914916.db2.gz AUIXKRXXPIOKKU-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COCc4ccccc43)CC2)CC1 ZINC000568228260 518939072 /nfs/dbraw/zinc/93/90/72/518939072.db2.gz UDVODTIKQXUWHS-OAQYLSRUSA-N 1 3 371.525 2.570 20 0 FFADHO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000565429278 518952806 /nfs/dbraw/zinc/95/28/06/518952806.db2.gz WDDSNUPXSNOCFZ-XIYVOTBMSA-N 1 3 352.563 2.875 20 0 FFADHO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000565429278 518952812 /nfs/dbraw/zinc/95/28/12/518952812.db2.gz WDDSNUPXSNOCFZ-XIYVOTBMSA-N 1 3 352.563 2.875 20 0 FFADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000565429278 518952819 /nfs/dbraw/zinc/95/28/19/518952819.db2.gz WDDSNUPXSNOCFZ-XIYVOTBMSA-N 1 3 352.563 2.875 20 0 FFADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000565429278 518952825 /nfs/dbraw/zinc/95/28/25/518952825.db2.gz WDDSNUPXSNOCFZ-XIYVOTBMSA-N 1 3 352.563 2.875 20 0 FFADHO [NH3+][C@H](CC(=O)NC[C@@H](c1cccs1)N1CCCC1)Cc1ccccc1 ZINC000582961185 519008743 /nfs/dbraw/zinc/00/87/43/519008743.db2.gz UCJHNJUKRVUCNY-ROUUACIJSA-N 1 3 357.523 2.961 20 0 FFADHO CC[NH+]1CCC(CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000568429656 519033309 /nfs/dbraw/zinc/03/33/09/519033309.db2.gz XCYVXIAXFQKIHM-UHFFFAOYSA-N 1 3 372.557 2.679 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000568527722 519086348 /nfs/dbraw/zinc/08/63/48/519086348.db2.gz YGFLWPDAQCRWCE-XPWALMASSA-N 1 3 367.537 2.557 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000568527722 519086352 /nfs/dbraw/zinc/08/63/52/519086352.db2.gz YGFLWPDAQCRWCE-XPWALMASSA-N 1 3 367.537 2.557 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000565809263 519141850 /nfs/dbraw/zinc/14/18/50/519141850.db2.gz RCZHNOOZUABSIJ-CABCVRRESA-N 1 3 369.351 2.768 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCN1Cc1ccccc1 ZINC000583252645 519153597 /nfs/dbraw/zinc/15/35/97/519153597.db2.gz MJRSUOSOWZWUFB-KAGYGMCKSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574545902 519210487 /nfs/dbraw/zinc/21/04/87/519210487.db2.gz HGUMEQBJUJJYMA-PZJWPPBQSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000577727322 519225990 /nfs/dbraw/zinc/22/59/90/519225990.db2.gz DENBPVOQCICMBS-SFHVURJKSA-N 1 3 366.509 2.951 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000566110137 519305494 /nfs/dbraw/zinc/30/54/94/519305494.db2.gz GCIHPNZVEVJSNV-HKUYNNGSSA-N 1 3 372.513 2.604 20 0 FFADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000566110137 519305502 /nfs/dbraw/zinc/30/55/02/519305502.db2.gz GCIHPNZVEVJSNV-HKUYNNGSSA-N 1 3 372.513 2.604 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])N2CCCC2)c1 ZINC000566151386 519336665 /nfs/dbraw/zinc/33/66/65/519336665.db2.gz CJRDZGUHGNWJJX-DBVUQKKJSA-N 1 3 359.514 2.856 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000566191381 519361848 /nfs/dbraw/zinc/36/18/48/519361848.db2.gz JRWGLETUWOFODV-GOSISDBHSA-N 1 3 372.538 2.918 20 0 FFADHO CN1CC[NH+](CC2CCN(Cc3ccc(F)c4cccnc34)CC2)CC1 ZINC000578002297 519365117 /nfs/dbraw/zinc/36/51/17/519365117.db2.gz OWMRKTYWYYJPAS-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])[C@H]1c1ccccc1 ZINC000578011189 519370222 /nfs/dbraw/zinc/37/02/22/519370222.db2.gz WIMBRWHVZIGRLR-PCCBWWKXSA-N 1 3 364.493 2.700 20 0 FFADHO CC(=O)c1cccc(OC[C@@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590818866 519386567 /nfs/dbraw/zinc/38/65/67/519386567.db2.gz DOKBMCDFSXRQDV-FQEVSTJZSA-N 1 3 362.514 2.681 20 0 FFADHO CC(=O)c1cccc(OC[C@@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590818866 519386575 /nfs/dbraw/zinc/38/65/75/519386575.db2.gz DOKBMCDFSXRQDV-FQEVSTJZSA-N 1 3 362.514 2.681 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H]1c1cccs1 ZINC000572014114 519399370 /nfs/dbraw/zinc/39/93/70/519399370.db2.gz UMGXDMPETZKTRX-KONPQCLYSA-N 1 3 364.559 2.948 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000578126477 519432175 /nfs/dbraw/zinc/43/21/75/519432175.db2.gz IBZKZQAYIKSRDX-OXQOHEQNSA-N 1 3 354.498 2.894 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127181 519432857 /nfs/dbraw/zinc/43/28/57/519432857.db2.gz GSQGKCYPHOKOOU-CJNGLKHVSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127181 519432868 /nfs/dbraw/zinc/43/28/68/519432868.db2.gz GSQGKCYPHOKOOU-CJNGLKHVSA-N 1 3 358.404 2.519 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000578127181 519432874 /nfs/dbraw/zinc/43/28/74/519432874.db2.gz GSQGKCYPHOKOOU-CJNGLKHVSA-N 1 3 358.404 2.519 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(-n2cccn2)c1 ZINC000572167220 519477057 /nfs/dbraw/zinc/47/70/57/519477057.db2.gz WACZNMXPAAWXEL-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(-n2cccn2)c1 ZINC000572167220 519477063 /nfs/dbraw/zinc/47/70/63/519477063.db2.gz WACZNMXPAAWXEL-OAQYLSRUSA-N 1 3 355.530 2.720 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000583872674 519477489 /nfs/dbraw/zinc/47/74/89/519477489.db2.gz XZJFMYPCJWCVTF-VXKWHMMOSA-N 1 3 369.553 2.789 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000578246184 519497031 /nfs/dbraw/zinc/49/70/31/519497031.db2.gz KMARUVQLJOJNED-OAQYLSRUSA-N 1 3 353.510 2.693 20 0 FFADHO CC[C@@H](CSC)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566450451 519502119 /nfs/dbraw/zinc/50/21/19/519502119.db2.gz GBBJCAHKJICQHQ-KRWDZBQOSA-N 1 3 355.592 2.783 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)c1conc1C(C)(C)N)c1ccsc1 ZINC000569378612 519520681 /nfs/dbraw/zinc/52/06/81/519520681.db2.gz WXRXQNJPESIKHE-AWEZNQCLSA-N 1 3 350.488 2.743 20 0 FFADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CNCCC1(F)F ZINC000578304140 519522411 /nfs/dbraw/zinc/52/24/11/519522411.db2.gz SBOSZVPWYUMBPA-KRWDZBQOSA-N 1 3 366.456 2.834 20 0 FFADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000578322368 519533596 /nfs/dbraw/zinc/53/35/96/519533596.db2.gz WAPWFBTWEBHNIK-UXHICEINSA-N 1 3 370.541 2.530 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N(C)C ZINC000572380974 519585876 /nfs/dbraw/zinc/58/58/76/519585876.db2.gz JVAXKRWDRNEYDC-SLYNCCJLSA-N 1 3 358.530 2.771 20 0 FFADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000594668679 520075938 /nfs/dbraw/zinc/07/59/38/520075938.db2.gz WPVPEOSFBLKIFE-QUCCMNQESA-N 1 3 359.489 2.638 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000594668679 520075941 /nfs/dbraw/zinc/07/59/41/520075941.db2.gz WPVPEOSFBLKIFE-QUCCMNQESA-N 1 3 359.489 2.638 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000612909542 520214368 /nfs/dbraw/zinc/21/43/68/520214368.db2.gz NVZPWCFADZPXTB-AEFFLSMTSA-N 1 3 352.910 2.774 20 0 FFADHO CCCN1CC[C@H](C[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600720679 520423182 /nfs/dbraw/zinc/42/31/82/520423182.db2.gz JDXDGSDVTIXBNI-ZRZPHAQCSA-N 1 3 354.535 2.571 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000604097228 520450693 /nfs/dbraw/zinc/45/06/93/520450693.db2.gz OMCPMGZSHNENIZ-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000604097228 520450703 /nfs/dbraw/zinc/45/07/03/520450703.db2.gz OMCPMGZSHNENIZ-VQTJNVASSA-N 1 3 358.530 2.681 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)c2ccccc2)CC1 ZINC000604178933 520472883 /nfs/dbraw/zinc/47/28/83/520472883.db2.gz LSKMSZJBDLLCBU-TZIWHRDSSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1ccc2ccccc2n1 ZINC000617503248 520537660 /nfs/dbraw/zinc/53/76/60/520537660.db2.gz AUMNYEUHIMFNLX-KRWDZBQOSA-N 1 3 356.514 2.556 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1ccc2ccccc2n1 ZINC000617503248 520537664 /nfs/dbraw/zinc/53/76/64/520537664.db2.gz AUMNYEUHIMFNLX-KRWDZBQOSA-N 1 3 356.514 2.556 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1ccccc1Cl ZINC000617503631 520538265 /nfs/dbraw/zinc/53/82/65/520538265.db2.gz RFIDXUSEPIGNST-AWEZNQCLSA-N 1 3 357.951 2.820 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1ccccc1Cl ZINC000617503631 520538273 /nfs/dbraw/zinc/53/82/73/520538273.db2.gz RFIDXUSEPIGNST-AWEZNQCLSA-N 1 3 357.951 2.820 20 0 FFADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000617502337 520539634 /nfs/dbraw/zinc/53/96/34/520539634.db2.gz LZTFBINPPKYPHU-IBGZPJMESA-N 1 3 374.573 2.674 20 0 FFADHO CCc1cccc2c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c[nH]c21 ZINC000617505713 520540447 /nfs/dbraw/zinc/54/04/47/520540447.db2.gz NGHZKMANFAYKLW-INIZCTEOSA-N 1 3 358.530 2.661 20 0 FFADHO CCc1cccc2c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c[nH]c21 ZINC000617505713 520540453 /nfs/dbraw/zinc/54/04/53/520540453.db2.gz NGHZKMANFAYKLW-INIZCTEOSA-N 1 3 358.530 2.661 20 0 FFADHO CC(C)Oc1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000617504919 520541115 /nfs/dbraw/zinc/54/11/15/520541115.db2.gz PFFJNTIPPUPTAP-AWEZNQCLSA-N 1 3 370.925 2.524 20 0 FFADHO CC(C)Oc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000617504919 520541121 /nfs/dbraw/zinc/54/11/21/520541121.db2.gz PFFJNTIPPUPTAP-AWEZNQCLSA-N 1 3 370.925 2.524 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC000593097264 520744350 /nfs/dbraw/zinc/74/43/50/520744350.db2.gz XDPCMACNVSOQIZ-IBGZPJMESA-N 1 3 367.578 2.989 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC000593097264 520744354 /nfs/dbraw/zinc/74/43/54/520744354.db2.gz XDPCMACNVSOQIZ-IBGZPJMESA-N 1 3 367.578 2.989 20 0 FFADHO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000593597506 521098988 /nfs/dbraw/zinc/09/89/88/521098988.db2.gz ZAVGJADTOPQNLR-MSOLQXFVSA-N 1 3 367.578 2.893 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000606589385 521107413 /nfs/dbraw/zinc/10/74/13/521107413.db2.gz SZMFKGKKUPZTEO-INIZCTEOSA-N 1 3 350.507 2.787 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606683405 521133690 /nfs/dbraw/zinc/13/36/90/521133690.db2.gz XHEIICFDTMYGLX-GUDVDZBRSA-N 1 3 350.551 2.909 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000618987787 521336469 /nfs/dbraw/zinc/33/64/69/521336469.db2.gz UKACOZHRZKFUNU-GOSISDBHSA-N 1 3 358.530 2.843 20 0 FFADHO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615274403 521347135 /nfs/dbraw/zinc/34/71/35/521347135.db2.gz IUEVWNOZWRPSST-RTWAWAEBSA-N 1 3 371.525 2.608 20 0 FFADHO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615274403 521347142 /nfs/dbraw/zinc/34/71/42/521347142.db2.gz IUEVWNOZWRPSST-RTWAWAEBSA-N 1 3 371.525 2.608 20 0 FFADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000615300624 521359749 /nfs/dbraw/zinc/35/97/49/521359749.db2.gz FSQMSOJUYHXZJE-NXHRZFHOSA-N 1 3 365.468 2.695 20 0 FFADHO CC(C)OC(=O)C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000602666516 521467524 /nfs/dbraw/zinc/46/75/24/521467524.db2.gz KKGYNDYIBYYEST-LJQANCHMSA-N 1 3 362.514 2.894 20 0 FFADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000615672118 521497877 /nfs/dbraw/zinc/49/78/77/521497877.db2.gz KPFPXAIJHLZHCL-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000615672118 521497884 /nfs/dbraw/zinc/49/78/84/521497884.db2.gz KPFPXAIJHLZHCL-ZWKOTPCHSA-N 1 3 352.567 2.870 20 0 FFADHO COc1cccc(NC(=O)C[C@@H](C)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000635005473 521861312 /nfs/dbraw/zinc/86/13/12/521861312.db2.gz JAYWQIQKUHBCBS-AEFFLSMTSA-N 1 3 355.482 2.962 20 0 FFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)c1 ZINC000635005473 521861326 /nfs/dbraw/zinc/86/13/26/521861326.db2.gz JAYWQIQKUHBCBS-AEFFLSMTSA-N 1 3 355.482 2.962 20 0 FFADHO COCc1cc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)ccc1OC ZINC000635007050 521864648 /nfs/dbraw/zinc/86/46/48/521864648.db2.gz DFFDASTXCQXPAW-OAHLLOKOSA-N 1 3 356.470 2.819 20 0 FFADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1cccc2c1CC[NH2+]C2 ZINC000635009762 521865306 /nfs/dbraw/zinc/86/53/06/521865306.db2.gz KHWFPDWAZOGBFQ-QHCPKHFHSA-N 1 3 365.521 2.804 20 0 FFADHO COc1cc(C)c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1OC ZINC000635010299 521865628 /nfs/dbraw/zinc/86/56/28/521865628.db2.gz SAIPUFGGTVVGPN-HNNXBMFYSA-N 1 3 356.470 2.990 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626076870 521913467 /nfs/dbraw/zinc/91/34/67/521913467.db2.gz YCKUDBVZTMPNPC-FBEWHJACSA-N 1 3 367.537 2.744 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626076870 521913482 /nfs/dbraw/zinc/91/34/82/521913482.db2.gz YCKUDBVZTMPNPC-FBEWHJACSA-N 1 3 367.537 2.744 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N2CCOCC2)cc1 ZINC000623338178 521948109 /nfs/dbraw/zinc/94/81/09/521948109.db2.gz OBRJZAZCEOZXQF-ICSRJNTNSA-N 1 3 361.530 2.531 20 0 FFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCN(C)C(C)(C)C3)CC2)c1 ZINC000623348868 521954491 /nfs/dbraw/zinc/95/44/91/521954491.db2.gz NRNMZGPYYXGKJR-HXUWFJFHSA-N 1 3 358.574 2.970 20 0 FFADHO Fc1ccc(-n2cc(CNCC3CCN(c4cc[nH+]cc4)CC3)nn2)cc1 ZINC000623482325 522056842 /nfs/dbraw/zinc/05/68/42/522056842.db2.gz MDBLUTBMCDPWIN-UHFFFAOYSA-N 1 3 366.444 2.808 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626370330 522140330 /nfs/dbraw/zinc/14/03/30/522140330.db2.gz JZVKXHUTSBPSFO-BVYCBKJFSA-N 1 3 365.521 2.969 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626370330 522140340 /nfs/dbraw/zinc/14/03/40/522140340.db2.gz JZVKXHUTSBPSFO-BVYCBKJFSA-N 1 3 365.521 2.969 20 0 FFADHO [NH3+]CCCOCCNCc1cccc(Br)c1OC(F)F ZINC000629399461 522190587 /nfs/dbraw/zinc/19/05/87/522190587.db2.gz HCFCCCYGEOBUIT-UHFFFAOYSA-N 1 3 353.207 2.506 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000620551015 522290074 /nfs/dbraw/zinc/29/00/74/522290074.db2.gz XNJYHJVPYJZMBZ-HOTGVXAUSA-N 1 3 352.548 2.915 20 0 FFADHO COC[C@@H](C)N(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000629590335 522337138 /nfs/dbraw/zinc/33/71/38/522337138.db2.gz VALLHUMTAIAETC-SZOBAZRNSA-N 1 3 368.521 2.942 20 0 FFADHO COC[C@@H](C)[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000629590335 522337152 /nfs/dbraw/zinc/33/71/52/522337152.db2.gz VALLHUMTAIAETC-SZOBAZRNSA-N 1 3 368.521 2.942 20 0 FFADHO COC[C@@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000629590335 522337162 /nfs/dbraw/zinc/33/71/62/522337162.db2.gz VALLHUMTAIAETC-SZOBAZRNSA-N 1 3 368.521 2.942 20 0 FFADHO CSc1ccc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629590904 522338803 /nfs/dbraw/zinc/33/88/03/522338803.db2.gz XGBZXDFKOGSSIU-GOSISDBHSA-N 1 3 350.528 2.878 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1OCC2 ZINC000626684338 522373428 /nfs/dbraw/zinc/37/34/28/522373428.db2.gz SPPKZHSMTOIRKC-QGZVFWFLSA-N 1 3 360.502 2.501 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1OCC2 ZINC000626684338 522373435 /nfs/dbraw/zinc/37/34/35/522373435.db2.gz SPPKZHSMTOIRKC-QGZVFWFLSA-N 1 3 360.502 2.501 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C[C@H](C)O1 ZINC000620756964 522408741 /nfs/dbraw/zinc/40/87/41/522408741.db2.gz NNGOLALWKRJNPA-CALCHBBNSA-N 1 3 359.514 2.558 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624120959 522491317 /nfs/dbraw/zinc/49/13/17/522491317.db2.gz KVACYWSEUUNQOF-IAGOWNOFSA-N 1 3 365.543 2.609 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000624544751 522765285 /nfs/dbraw/zinc/76/52/85/522765285.db2.gz BOJZDSCBBAWWML-ICSRJNTNSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624544751 522765296 /nfs/dbraw/zinc/76/52/96/522765296.db2.gz BOJZDSCBBAWWML-ICSRJNTNSA-N 1 3 362.562 2.815 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000624548065 522772044 /nfs/dbraw/zinc/77/20/44/522772044.db2.gz DDBCKYHVYFSKBV-WOJBJXKFSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000624548065 522772053 /nfs/dbraw/zinc/77/20/53/522772053.db2.gz DDBCKYHVYFSKBV-WOJBJXKFSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2nccc3ccccc32)CC1 ZINC000633615421 522874611 /nfs/dbraw/zinc/87/46/11/522874611.db2.gz ZHQBORKUINTBLC-KRWDZBQOSA-N 1 3 368.525 2.655 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2nccc3ccccc32)CC1 ZINC000633615421 522874622 /nfs/dbraw/zinc/87/46/22/522874622.db2.gz ZHQBORKUINTBLC-KRWDZBQOSA-N 1 3 368.525 2.655 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)C(C[C@@H]3CCCO3)C(F)(F)F)cn2)CC1 ZINC000634096991 523184134 /nfs/dbraw/zinc/18/41/34/523184134.db2.gz RGKQQSYYSBXTBD-LSDHHAIUSA-N 1 3 374.407 2.836 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)cc1 ZINC000622044994 523237823 /nfs/dbraw/zinc/23/78/23/523237823.db2.gz ZOOVLCWDTVVTNW-PZJWPPBQSA-N 1 3 367.493 2.825 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)CC[N@@H+]1C ZINC000631300374 523525811 /nfs/dbraw/zinc/52/58/11/523525811.db2.gz HKWBZCHVDQCRGU-YZGWKJHDSA-N 1 3 373.541 2.733 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@H](C)c3ccccc3)CCOCC2)CC[N@H+]1C ZINC000631300374 523525819 /nfs/dbraw/zinc/52/58/19/523525819.db2.gz HKWBZCHVDQCRGU-YZGWKJHDSA-N 1 3 373.541 2.733 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797613 523695596 /nfs/dbraw/zinc/69/55/96/523695596.db2.gz WMOVQHWBOHHNFB-MSOLQXFVSA-N 1 3 367.331 2.743 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797613 523695607 /nfs/dbraw/zinc/69/56/07/523695607.db2.gz WMOVQHWBOHHNFB-MSOLQXFVSA-N 1 3 367.331 2.743 20 0 FFADHO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000631688318 523752566 /nfs/dbraw/zinc/75/25/66/523752566.db2.gz MAXSODIBEBBZEH-BHYGNILZSA-N 1 3 367.419 2.882 20 0 FFADHO CN(C)Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910383 721560264 /nfs/dbraw/zinc/56/02/64/721560264.db2.gz WPUPEQCJRVNFJF-ICSRJNTNSA-N 1 3 370.472 2.624 20 0 FFADHO CN(C)Cc1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910383 721560268 /nfs/dbraw/zinc/56/02/68/721560268.db2.gz WPUPEQCJRVNFJF-ICSRJNTNSA-N 1 3 370.472 2.624 20 0 FFADHO CN1CCC(NC(=S)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000063143800 728134218 /nfs/dbraw/zinc/13/42/18/728134218.db2.gz CRWSESZIAOXHNI-UHFFFAOYSA-N 1 3 352.592 2.734 20 0 FFADHO [NH3+]C1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC000135300066 728737345 /nfs/dbraw/zinc/73/73/45/728737345.db2.gz UIHKVTOLZQEUNB-UHFFFAOYSA-N 1 3 363.097 2.966 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC1C[NH2+]C1 ZINC000638233389 730016513 /nfs/dbraw/zinc/01/65/13/730016513.db2.gz YFYNTCQMRLLENG-UHFFFAOYSA-N 1 3 357.420 2.595 20 0 FFADHO CN1CCC[C@@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)[C@@H]1c1cccs1 ZINC000638671427 730038552 /nfs/dbraw/zinc/03/85/52/730038552.db2.gz PTFZEOGKOFEJJR-QFBILLFUSA-N 1 3 365.587 2.956 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000641838799 730254498 /nfs/dbraw/zinc/25/44/98/730254498.db2.gz YVUMBGIRSCQVSC-LJQANCHMSA-N 1 3 350.551 2.911 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000650707689 731021945 /nfs/dbraw/zinc/02/19/45/731021945.db2.gz KXSQYAOSAXFHFN-BMGDILEWSA-N 1 3 350.890 2.993 20 0 FFADHO CC1(C)CCNCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000866699336 731089228 /nfs/dbraw/zinc/08/92/28/731089228.db2.gz LNNPKFLPPXPOGC-UHFFFAOYSA-N 1 3 354.292 2.852 20 0 FFADHO CC1(C)CCNCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000866699336 731089231 /nfs/dbraw/zinc/08/92/31/731089231.db2.gz LNNPKFLPPXPOGC-UHFFFAOYSA-N 1 3 354.292 2.852 20 0 FFADHO CSc1nnc(CCC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)n1CC(C)C ZINC000925487647 738510107 /nfs/dbraw/zinc/51/01/07/738510107.db2.gz NDPDHHWUPQFGAD-PVAVHDDUSA-N 1 3 365.591 2.955 20 0 FFADHO CSc1nnc(CCCN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1CC(C)C ZINC000925487647 738510110 /nfs/dbraw/zinc/51/01/10/738510110.db2.gz NDPDHHWUPQFGAD-PVAVHDDUSA-N 1 3 365.591 2.955 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[N@H+](CC)C2CCCCC2)C1(C)C ZINC000653200950 731248023 /nfs/dbraw/zinc/24/80/23/731248023.db2.gz VHSZOYCYFNSSRS-FXAWDEMLSA-N 1 3 353.551 2.680 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[N@@H+](CC)C2CCCCC2)C1(C)C ZINC000653200950 731248026 /nfs/dbraw/zinc/24/80/26/731248026.db2.gz VHSZOYCYFNSSRS-FXAWDEMLSA-N 1 3 353.551 2.680 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccsc1 ZINC000868052082 731254901 /nfs/dbraw/zinc/25/49/01/731254901.db2.gz NLBPUYKEJVBTCB-RYQLBKOJSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccsc1 ZINC000868052082 731254903 /nfs/dbraw/zinc/25/49/03/731254903.db2.gz NLBPUYKEJVBTCB-RYQLBKOJSA-N 1 3 364.559 2.867 20 0 FFADHO CC1(C)[C@H](NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925651391 738520203 /nfs/dbraw/zinc/52/02/03/738520203.db2.gz BRKYGBYXDZRNDA-COCCGSRQSA-N 1 3 356.432 2.621 20 0 FFADHO CC1(C)[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)[C@@H]2CCCN[C@@H]21 ZINC000925651391 738520205 /nfs/dbraw/zinc/52/02/05/738520205.db2.gz BRKYGBYXDZRNDA-COCCGSRQSA-N 1 3 356.432 2.621 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H]3C(F)F)CC2)CC1 ZINC000655055873 731424900 /nfs/dbraw/zinc/42/49/00/731424900.db2.gz NAYXSIHLHNYGSX-KRWDZBQOSA-N 1 3 357.489 2.829 20 0 FFADHO COc1ccc([C@@H](C)NCCN2CCC([NH3+])CC2)c(Br)c1 ZINC000925815408 738532290 /nfs/dbraw/zinc/53/22/90/738532290.db2.gz QEPARDBDTZFVCJ-GFCCVEGCSA-N 1 3 356.308 2.531 20 0 FFADHO CS(=O)(=O)c1ccccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925829448 738533796 /nfs/dbraw/zinc/53/37/96/738533796.db2.gz OGBVKAUIULNBCA-KZNAEPCWSA-N 1 3 350.528 2.533 20 0 FFADHO CS(=O)(=O)c1cccc([C@H](NC[C@H]2C[C@@H]([NH3+])C2)c2ccc(F)cc2)c1 ZINC000873252634 731895390 /nfs/dbraw/zinc/89/53/90/731895390.db2.gz UDUJJJKTRQIYIV-XVGQJIODSA-N 1 3 362.470 2.646 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000659426957 731974831 /nfs/dbraw/zinc/97/48/31/731974831.db2.gz IILQPHVKPZPAMZ-BZUAXINKSA-N 1 3 368.522 2.602 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(F)(F)C(C)(C)C)CC2)CC1 ZINC000660575444 732124189 /nfs/dbraw/zinc/12/41/89/732124189.db2.gz UHDPJIZLSXCVQH-UHFFFAOYSA-N 1 3 360.493 2.526 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)Cc1ccco1 ZINC000661514187 732212588 /nfs/dbraw/zinc/21/25/88/732212588.db2.gz RGHLSYAGVYALRD-MRXNPFEDSA-N 1 3 350.507 2.616 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)Cc1ccco1 ZINC000661514187 732212591 /nfs/dbraw/zinc/21/25/91/732212591.db2.gz RGHLSYAGVYALRD-MRXNPFEDSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@@H](O)[C@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)ccc1F ZINC000661768207 732238674 /nfs/dbraw/zinc/23/86/74/732238674.db2.gz UUQINZXKNIEPRB-KQEPKPNTSA-N 1 3 350.478 2.516 20 0 FFADHO C[C@@H](O)[C@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)ccc1F ZINC000661768207 732238679 /nfs/dbraw/zinc/23/86/79/732238679.db2.gz UUQINZXKNIEPRB-KQEPKPNTSA-N 1 3 350.478 2.516 20 0 FFADHO O=S(=O)(Nc1ccccc1)[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000662312214 732295855 /nfs/dbraw/zinc/29/58/55/732295855.db2.gz XOKZDFRLMUCHPC-IBGZPJMESA-N 1 3 365.543 2.673 20 0 FFADHO Clc1cccc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662335709 732299667 /nfs/dbraw/zinc/29/96/67/732299667.db2.gz PEIKHAVWVWJGKA-MRXNPFEDSA-N 1 3 359.905 2.852 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1 ZINC000877151144 732329088 /nfs/dbraw/zinc/32/90/88/732329088.db2.gz DFCNRFNWFLHJEL-INIZCTEOSA-N 1 3 370.324 2.796 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cc(Cl)n1 ZINC000877404156 732358190 /nfs/dbraw/zinc/35/81/90/732358190.db2.gz YJXYGYCZVZSLGP-JKSUJKDBSA-N 1 3 364.921 2.862 20 0 FFADHO COCCN(Cc1cc(C)c(Br)cn1)CC1CC[NH+](C)CC1 ZINC000877663917 732408751 /nfs/dbraw/zinc/40/87/51/732408751.db2.gz DGCOLVBEDFHUSZ-UHFFFAOYSA-N 1 3 370.335 2.943 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000663399993 732430585 /nfs/dbraw/zinc/43/05/85/732430585.db2.gz LMCCMCIVIJCAIW-CCLIWJKGSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000663399993 732430589 /nfs/dbraw/zinc/43/05/89/732430589.db2.gz LMCCMCIVIJCAIW-CCLIWJKGSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2sccc21 ZINC000664691110 732619901 /nfs/dbraw/zinc/61/99/01/732619901.db2.gz YTHLHJWRPAZFTL-HOCLYGCPSA-N 1 3 352.548 2.697 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2sccc21 ZINC000664691110 732619905 /nfs/dbraw/zinc/61/99/05/732619905.db2.gz YTHLHJWRPAZFTL-HOCLYGCPSA-N 1 3 352.548 2.697 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000664939025 732648951 /nfs/dbraw/zinc/64/89/51/732648951.db2.gz QMQCCVUMENAOLY-HOTGVXAUSA-N 1 3 362.509 2.773 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000664939025 732648954 /nfs/dbraw/zinc/64/89/54/732648954.db2.gz QMQCCVUMENAOLY-HOTGVXAUSA-N 1 3 362.509 2.773 20 0 FFADHO C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665638799 732734885 /nfs/dbraw/zinc/73/48/85/732734885.db2.gz CMWRZMMXRVSANG-JKSUJKDBSA-N 1 3 352.498 2.800 20 0 FFADHO C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665638799 732734889 /nfs/dbraw/zinc/73/48/89/732734889.db2.gz CMWRZMMXRVSANG-JKSUJKDBSA-N 1 3 352.498 2.800 20 0 FFADHO COc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000666898190 732913603 /nfs/dbraw/zinc/91/36/03/732913603.db2.gz MARWZTUAAQCVOH-INIZCTEOSA-N 1 3 350.507 2.706 20 0 FFADHO COc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000666898190 732913607 /nfs/dbraw/zinc/91/36/07/732913607.db2.gz MARWZTUAAQCVOH-INIZCTEOSA-N 1 3 350.507 2.706 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)CC[C@H]1[NH3+] ZINC000669592657 733251417 /nfs/dbraw/zinc/25/14/17/733251417.db2.gz BCTWRGNOIZYMKT-OLMNPRSZSA-N 1 3 364.559 2.780 20 0 FFADHO Cc1nnsc1CN(C)[C@H]1CC[C@H]([N@H+](C)Cc2snnc2C)CC1 ZINC000886389419 733780975 /nfs/dbraw/zinc/78/09/75/733780975.db2.gz ISEPSIFVBHNWLZ-HDJSIYSDSA-N 1 3 366.560 2.881 20 0 FFADHO Cc1nnsc1CN(C)[C@H]1CC[C@H]([N@@H+](C)Cc2snnc2C)CC1 ZINC000886389419 733780978 /nfs/dbraw/zinc/78/09/78/733780978.db2.gz ISEPSIFVBHNWLZ-HDJSIYSDSA-N 1 3 366.560 2.881 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000891543973 734444021 /nfs/dbraw/zinc/44/40/21/734444021.db2.gz VPQIKSHAQGJOKY-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000891543973 734444023 /nfs/dbraw/zinc/44/40/23/734444023.db2.gz VPQIKSHAQGJOKY-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO CCC1([NH3+])CCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000891922067 734495253 /nfs/dbraw/zinc/49/52/53/734495253.db2.gz CZMFUNPKKKXHJI-QGZVFWFLSA-N 1 3 364.559 2.924 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCCN(C)C1 ZINC000893201521 734667301 /nfs/dbraw/zinc/66/73/01/734667301.db2.gz ZPUHFAXUDYPMMS-XYJFISCASA-N 1 3 364.559 2.867 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H]1CCCN(C)C1 ZINC000893201521 734667303 /nfs/dbraw/zinc/66/73/03/734667303.db2.gz ZPUHFAXUDYPMMS-XYJFISCASA-N 1 3 364.559 2.867 20 0 FFADHO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1(F)F ZINC000894422946 734855366 /nfs/dbraw/zinc/85/53/66/734855366.db2.gz LRSWQRRTCKCINY-ORQFMDKSSA-N 1 3 352.425 2.541 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000734533802 734902329 /nfs/dbraw/zinc/90/23/29/734902329.db2.gz WYAFMSPIFGWTON-CTWPCTMYSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000734533802 734902332 /nfs/dbraw/zinc/90/23/32/734902332.db2.gz WYAFMSPIFGWTON-CTWPCTMYSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccco1 ZINC000894766690 734913307 /nfs/dbraw/zinc/91/33/07/734913307.db2.gz VXUFNJGFHSIKKL-BBWFWOEESA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccco1 ZINC000894766690 734913309 /nfs/dbraw/zinc/91/33/09/734913309.db2.gz VXUFNJGFHSIKKL-BBWFWOEESA-N 1 3 350.507 2.740 20 0 FFADHO O[C@@H](CN1CCCCC[C@H]1C[C@H](O)c1cccs1)C[NH+]1CCCC1 ZINC000750983244 735832908 /nfs/dbraw/zinc/83/29/08/735832908.db2.gz JABVANRCDDNFDZ-KSZLIROESA-N 1 3 352.544 2.873 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000902328772 735933635 /nfs/dbraw/zinc/93/36/35/735933635.db2.gz NGJBVARTAUEMDV-ZFWWWQNUSA-N 1 3 354.878 2.512 20 0 FFADHO [NH3+]CCCC[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1F ZINC000902384566 735940555 /nfs/dbraw/zinc/94/05/55/735940555.db2.gz NDFTVFVMKSXSGC-CXAGYDPISA-N 1 3 360.470 2.549 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@@H](C)C1 ZINC000903312577 736073893 /nfs/dbraw/zinc/07/38/93/736073893.db2.gz ZXINTGGBIZVDRA-VDGAXYAQSA-N 1 3 352.494 2.760 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(O)c2cccc(F)c2)[C@@H](C)C1 ZINC000903312577 736073902 /nfs/dbraw/zinc/07/39/02/736073902.db2.gz ZXINTGGBIZVDRA-VDGAXYAQSA-N 1 3 352.494 2.760 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ncc1F ZINC000762747486 736863865 /nfs/dbraw/zinc/86/38/65/736863865.db2.gz MTGKXCDTJAOALV-QWHCGFSZSA-N 1 3 374.298 2.871 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ncc1F ZINC000762747486 736863870 /nfs/dbraw/zinc/86/38/70/736863870.db2.gz MTGKXCDTJAOALV-QWHCGFSZSA-N 1 3 374.298 2.871 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@H](O)c3ccc(F)cc3Cl)C2)C1 ZINC000923389676 738278217 /nfs/dbraw/zinc/27/82/17/738278217.db2.gz VQWWOJIEFVRKEU-NMVRNDPTSA-N 1 3 356.869 2.731 20 0 FFADHO COc1ccc(Br)cc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452847 738285246 /nfs/dbraw/zinc/28/52/46/738285246.db2.gz ILGNWETTWMBYOX-HNNXBMFYSA-N 1 3 369.303 2.788 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499223 738291873 /nfs/dbraw/zinc/29/18/73/738291873.db2.gz LWWWQOAIVRJXEF-RDBSUJKOSA-N 1 3 355.885 2.743 20 0 FFADHO COC(=O)C1=C(C)O[C@@H](CN2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000778217296 738364299 /nfs/dbraw/zinc/36/42/99/738364299.db2.gz WRZQTKMAZJJOKI-GOSISDBHSA-N 1 3 350.503 2.810 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000931432633 739263779 /nfs/dbraw/zinc/26/37/79/739263779.db2.gz XTWMBMUGHNBZJG-VNHYZAJKSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000931432633 739263784 /nfs/dbraw/zinc/26/37/84/739263784.db2.gz XTWMBMUGHNBZJG-VNHYZAJKSA-N 1 3 359.297 2.617 20 0 FFADHO Cc1cc(CN2CCCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)cs1 ZINC000981776652 741172667 /nfs/dbraw/zinc/17/26/67/741172667.db2.gz UMTDVJUOONPQPI-SJLPKXTDSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(CN2CCCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)cs1 ZINC000981776652 741172668 /nfs/dbraw/zinc/17/26/68/741172668.db2.gz UMTDVJUOONPQPI-SJLPKXTDSA-N 1 3 361.555 2.821 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001007370659 742328291 /nfs/dbraw/zinc/32/82/91/742328291.db2.gz ZHWVWHOALDTDEJ-GBESFXJTSA-N 1 3 363.571 2.992 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001007370659 742328298 /nfs/dbraw/zinc/32/82/98/742328298.db2.gz ZHWVWHOALDTDEJ-GBESFXJTSA-N 1 3 363.571 2.992 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000819085361 742336245 /nfs/dbraw/zinc/33/62/45/742336245.db2.gz UMQDYZSEUPGIEF-UGSOOPFHSA-N 1 3 356.869 2.603 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001029742758 742814273 /nfs/dbraw/zinc/81/42/73/742814273.db2.gz YOCRGOGJUIOQPH-JFIYKMOQSA-N 1 3 363.933 2.961 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001029742758 742814280 /nfs/dbraw/zinc/81/42/80/742814280.db2.gz YOCRGOGJUIOQPH-JFIYKMOQSA-N 1 3 363.933 2.961 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC[C@@H]3CCCC3(F)F)C2)CC[N@@H+]1C ZINC001031686466 742843961 /nfs/dbraw/zinc/84/39/61/742843961.db2.gz PUGKDVACZMHQTN-YESZJQIVSA-N 1 3 357.489 2.590 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC[C@@H]3CCCC3(F)F)C2)CC[N@H+]1C ZINC001031686466 742843972 /nfs/dbraw/zinc/84/39/72/742843972.db2.gz PUGKDVACZMHQTN-YESZJQIVSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(CCC(F)(F)F)C3)CC[N@@H+]1C ZINC001040211082 742998831 /nfs/dbraw/zinc/99/88/31/742998831.db2.gz TVHIJLUDBIAKKA-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCCN(CCC(F)(F)F)C3)CC[N@H+]1C ZINC001040211082 742998834 /nfs/dbraw/zinc/99/88/34/742998834.db2.gz TVHIJLUDBIAKKA-INMHGKMJSA-N 1 3 361.452 2.594 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827889874 744997347 /nfs/dbraw/zinc/99/73/47/744997347.db2.gz NXFOWWXCIZRKGB-GOEBONIOSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000827889874 744997353 /nfs/dbraw/zinc/99/73/53/744997353.db2.gz NXFOWWXCIZRKGB-GOEBONIOSA-N 1 3 352.910 2.670 20 0 FFADHO CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000834904022 745922315 /nfs/dbraw/zinc/92/23/15/745922315.db2.gz MELDQPUFOBOVSW-QKYXUNIQSA-N 1 3 350.503 2.992 20 0 FFADHO [NH2+]=C(NC[C@H]1CC1(Cl)Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000849056416 749043238 /nfs/dbraw/zinc/04/32/38/749043238.db2.gz OVMBRGMSIPIVEM-CQSZACIVSA-N 1 3 355.313 2.959 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc(Cl)n1 ZINC000852837270 749963036 /nfs/dbraw/zinc/96/30/36/749963036.db2.gz RWKMJBYCWMBZSC-RDJZCZTQSA-N 1 3 364.921 2.672 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000852861371 749965894 /nfs/dbraw/zinc/96/58/94/749965894.db2.gz CZXIIDPWSJZEJT-GDBMZVCRSA-N 1 3 352.910 2.670 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000659916622 970867395 /nfs/dbraw/zinc/86/73/95/970867395.db2.gz NSMIQTHIEFNZTQ-LJQANCHMSA-N 1 3 362.493 2.781 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000659916622 970867404 /nfs/dbraw/zinc/86/74/04/970867404.db2.gz NSMIQTHIEFNZTQ-LJQANCHMSA-N 1 3 362.493 2.781 20 0 FFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CNCc2ccccc21 ZINC000397630584 970878203 /nfs/dbraw/zinc/87/82/03/970878203.db2.gz NMGXYBVRTZXZSZ-QFIPXVFZSA-N 1 3 363.505 2.902 20 0 FFADHO COC1(OC)CC2(CN(Cc3ccnn3-c3ccncc3)[C@H]2C(C)C)C1 ZINC000895988120 971134007 /nfs/dbraw/zinc/13/40/07/971134007.db2.gz KRRHPQSJCLCAOT-SFHVURJKSA-N 1 3 356.470 2.877 20 0 FFADHO COC1(OC)CC2(CN(Cc3ccnn3-c3cc[nH+]cc3)[C@H]2C(C)C)C1 ZINC000895988120 971134010 /nfs/dbraw/zinc/13/40/10/971134010.db2.gz KRRHPQSJCLCAOT-SFHVURJKSA-N 1 3 356.470 2.877 20 0 FFADHO COC1(OC)CC2(C[N@H+](Cc3ccnn3-c3ccncc3)[C@H]2C(C)C)C1 ZINC000895988120 971134017 /nfs/dbraw/zinc/13/40/17/971134017.db2.gz KRRHPQSJCLCAOT-SFHVURJKSA-N 1 3 356.470 2.877 20 0 FFADHO COC1(OC)CC2(C[N@@H+](Cc3ccnn3-c3ccncc3)[C@H]2C(C)C)C1 ZINC000895988120 971134022 /nfs/dbraw/zinc/13/40/22/971134022.db2.gz KRRHPQSJCLCAOT-SFHVURJKSA-N 1 3 356.470 2.877 20 0 FFADHO COC1(OC)CC2(CN(Cc3ccnn3-c3ccncc3)[C@@H]2C(C)C)C1 ZINC000895988119 971134388 /nfs/dbraw/zinc/13/43/88/971134388.db2.gz KRRHPQSJCLCAOT-GOSISDBHSA-N 1 3 356.470 2.877 20 0 FFADHO COC1(OC)CC2(CN(Cc3ccnn3-c3cc[nH+]cc3)[C@@H]2C(C)C)C1 ZINC000895988119 971134394 /nfs/dbraw/zinc/13/43/94/971134394.db2.gz KRRHPQSJCLCAOT-GOSISDBHSA-N 1 3 356.470 2.877 20 0 FFADHO COC1(OC)CC2(C[N@H+](Cc3ccnn3-c3ccncc3)[C@@H]2C(C)C)C1 ZINC000895988119 971134399 /nfs/dbraw/zinc/13/43/99/971134399.db2.gz KRRHPQSJCLCAOT-GOSISDBHSA-N 1 3 356.470 2.877 20 0 FFADHO COC1(OC)CC2(C[N@@H+](Cc3ccnn3-c3ccncc3)[C@@H]2C(C)C)C1 ZINC000895988119 971134408 /nfs/dbraw/zinc/13/44/08/971134408.db2.gz KRRHPQSJCLCAOT-GOSISDBHSA-N 1 3 356.470 2.877 20 0 FFADHO CN(C)CC[C@H]([NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)c1cccnc1 ZINC000896721468 971675439 /nfs/dbraw/zinc/67/54/39/971675439.db2.gz MTYABZYAGMAALR-LVCYWYKZSA-N 1 3 374.529 2.921 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896734780 971683957 /nfs/dbraw/zinc/68/39/57/971683957.db2.gz GPUJWKNHWKBMIV-FXAWDEMLSA-N 1 3 361.530 2.925 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)cc1 ZINC001087992403 971735924 /nfs/dbraw/zinc/73/59/24/971735924.db2.gz TTZRKYMRCPEXQC-RTWAWAEBSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)cc1 ZINC001087992403 971735929 /nfs/dbraw/zinc/73/59/29/971735929.db2.gz TTZRKYMRCPEXQC-RTWAWAEBSA-N 1 3 369.553 2.802 20 0 FFADHO CC(C)(C)n1nnc(CCN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000660486930 972038824 /nfs/dbraw/zinc/03/88/24/972038824.db2.gz LNPNWPSHZVKLGJ-SFHVURJKSA-N 1 3 370.545 2.861 20 0 FFADHO CC(C)(C)n1nnc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000660486930 972038832 /nfs/dbraw/zinc/03/88/32/972038832.db2.gz LNPNWPSHZVKLGJ-SFHVURJKSA-N 1 3 370.545 2.861 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CC2(C)C)CC[N@@H+]1C ZINC000974606662 972053561 /nfs/dbraw/zinc/05/35/61/972053561.db2.gz RWXZOANTMVICLR-XFQXTVEOSA-N 1 3 368.525 2.835 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CC2(C)C)CC[N@H+]1C ZINC000974606662 972053565 /nfs/dbraw/zinc/05/35/65/972053565.db2.gz RWXZOANTMVICLR-XFQXTVEOSA-N 1 3 368.525 2.835 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](C4CCC4)C3)CC2)CC1 ZINC000660573581 972257190 /nfs/dbraw/zinc/25/71/90/972257190.db2.gz IUQIIBADACSRCX-SFHVURJKSA-N 1 3 362.562 2.767 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Nc2ccncc2)cc1 ZINC000655350752 959794659 /nfs/dbraw/zinc/79/46/59/959794659.db2.gz JBHIXGDHMRZDSH-UXHICEINSA-N 1 3 350.466 2.994 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Nc2ccncc2)cc1 ZINC000655350752 959794675 /nfs/dbraw/zinc/79/46/75/959794675.db2.gz JBHIXGDHMRZDSH-UXHICEINSA-N 1 3 350.466 2.994 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1cccc3ccccc31)C2 ZINC000660656386 972457718 /nfs/dbraw/zinc/45/77/18/972457718.db2.gz REUHDJCJROKUQG-UGKGYDQZSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1cccc3ccccc31)C2 ZINC000660656386 972457725 /nfs/dbraw/zinc/45/77/25/972457725.db2.gz REUHDJCJROKUQG-UGKGYDQZSA-N 1 3 354.494 2.997 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](c3ccncc3)C3CC3)CC2)CC1 ZINC000890910565 961004293 /nfs/dbraw/zinc/00/42/93/961004293.db2.gz XOIGRPBOJZUCLQ-OAQYLSRUSA-N 1 3 370.541 2.845 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)CCC(C)(C)[NH3+])CC2)c1 ZINC000649351248 1013367289 /nfs/dbraw/zinc/36/72/89/1013367289.db2.gz BDIPHHNAIVHGPA-UHFFFAOYSA-N 1 3 360.546 2.531 20 0 FFADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000649368894 1013379781 /nfs/dbraw/zinc/37/97/81/1013379781.db2.gz PQHHOBWKYNDFOD-ICSRJNTNSA-N 1 3 367.468 2.954 20 0 FFADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000649368893 1013380640 /nfs/dbraw/zinc/38/06/40/1013380640.db2.gz PQHHOBWKYNDFOD-AZUAARDMSA-N 1 3 367.468 2.954 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCN2C)c(C)n1 ZINC001087135129 963078829 /nfs/dbraw/zinc/07/88/29/963078829.db2.gz RZLPSAHRYQLLBO-XPGWFJOJSA-N 1 3 358.530 2.509 20 0 FFADHO CC(C)(C)[NH2+]CCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000933217952 963722633 /nfs/dbraw/zinc/72/26/33/963722633.db2.gz OXDHEBYVRFRUBB-UHFFFAOYSA-N 1 3 365.493 2.563 20 0 FFADHO COc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)ccc1F ZINC000873243497 1013442852 /nfs/dbraw/zinc/44/28/52/1013442852.db2.gz LXWMMPVADKVFHC-CYBMUJFWSA-N 1 3 355.417 2.725 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000656540397 963808520 /nfs/dbraw/zinc/80/85/20/963808520.db2.gz HOWUMSBXOBUJSN-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000656540397 963808529 /nfs/dbraw/zinc/80/85/29/963808529.db2.gz HOWUMSBXOBUJSN-ICSRJNTNSA-N 1 3 374.529 2.568 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000891392195 963814670 /nfs/dbraw/zinc/81/46/70/963814670.db2.gz DTUOSVLPYPFHPM-IBGZPJMESA-N 1 3 356.514 2.703 20 0 FFADHO CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(-n3cc(CN)nn3)c1)CCC2 ZINC000873247943 1013447649 /nfs/dbraw/zinc/44/76/49/1013447649.db2.gz WSMQZZQROCBHLU-MRXNPFEDSA-N 1 3 368.510 2.912 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cnc(Cl)s3)CCCC2)CC[N@@H+]1C ZINC001482218974 964150660 /nfs/dbraw/zinc/15/06/60/964150660.db2.gz BAUNSGSLQSAZNT-TZMCWYRMSA-N 1 3 370.950 2.655 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cnc(Cl)s3)CCCC2)CC[N@H+]1C ZINC001482218974 964150666 /nfs/dbraw/zinc/15/06/66/964150666.db2.gz BAUNSGSLQSAZNT-TZMCWYRMSA-N 1 3 370.950 2.655 20 0 FFADHO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167961961 964785497 /nfs/dbraw/zinc/78/54/97/964785497.db2.gz RBZBPKDKGCVWRD-XUBOLADHSA-N 1 3 355.526 2.721 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc4c3NCCC4)CC2)CC1 ZINC000894459394 965387690 /nfs/dbraw/zinc/38/76/90/965387690.db2.gz MIOIQAJXRBIADS-UHFFFAOYSA-N 1 3 356.558 2.894 20 0 FFADHO Cc1cc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)ncn1 ZINC001167978283 965613004 /nfs/dbraw/zinc/61/30/04/965613004.db2.gz NXCCDUFFSLLFDE-IHWFROFDSA-N 1 3 355.530 2.749 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CC2CN(C)C2)[NH+](C)C)cc1 ZINC000664905422 965969841 /nfs/dbraw/zinc/96/98/41/965969841.db2.gz GNBHMRDZHGNZHX-HXUWFJFHSA-N 1 3 360.546 2.691 20 0 FFADHO C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](CNCc2ccccn2)C1 ZINC001087222429 966912813 /nfs/dbraw/zinc/91/28/13/966912813.db2.gz BNIXMUDOKOOMFT-XLIONFOSSA-N 1 3 358.530 2.530 20 0 FFADHO CCOc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657596479 966942355 /nfs/dbraw/zinc/94/23/55/966942355.db2.gz XANQPZTZFUBULN-HXUWFJFHSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657596479 966942359 /nfs/dbraw/zinc/94/23/59/966942359.db2.gz XANQPZTZFUBULN-HXUWFJFHSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657596476 966942454 /nfs/dbraw/zinc/94/24/54/966942454.db2.gz XANQPZTZFUBULN-FQEVSTJZSA-N 1 3 370.493 2.950 20 0 FFADHO CCOc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657596476 966942459 /nfs/dbraw/zinc/94/24/59/966942459.db2.gz XANQPZTZFUBULN-FQEVSTJZSA-N 1 3 370.493 2.950 20 0 FFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978568 967196137 /nfs/dbraw/zinc/19/61/37/967196137.db2.gz UYFLQYWBVPQFQW-CEWLAPEOSA-N 1 3 357.542 2.754 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]21 ZINC001075785367 967331132 /nfs/dbraw/zinc/33/11/32/967331132.db2.gz ZUMZXCFNIZKFRH-YTQUADARSA-N 1 3 361.555 2.696 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21 ZINC001075785367 967331136 /nfs/dbraw/zinc/33/11/36/967331136.db2.gz ZUMZXCFNIZKFRH-YTQUADARSA-N 1 3 361.555 2.696 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000650722388 967600636 /nfs/dbraw/zinc/60/06/36/967600636.db2.gz RRNPCXFJLNRZFL-NJDAHSKKSA-N 1 3 354.498 2.792 20 0 FFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001075800483 967668592 /nfs/dbraw/zinc/66/85/92/967668592.db2.gz ZXQYPAOSNZXTGP-JVVABCIASA-N 1 3 365.521 2.574 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001087684580 968598012 /nfs/dbraw/zinc/59/80/12/968598012.db2.gz BTBLRFJFVNUXBP-CEXWTWQISA-N 1 3 365.562 2.647 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCC[C@@H]1CCOC1 ZINC001087684580 968598019 /nfs/dbraw/zinc/59/80/19/968598019.db2.gz BTBLRFJFVNUXBP-CEXWTWQISA-N 1 3 365.562 2.647 20 0 FFADHO C[N@H+](CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CCCCC1 ZINC000659038984 969657990 /nfs/dbraw/zinc/65/79/90/969657990.db2.gz XKZDHUJNZRNTAT-LJQANCHMSA-N 1 3 360.502 2.734 20 0 FFADHO C[N@@H+](CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CCCCC1 ZINC000659038984 969657992 /nfs/dbraw/zinc/65/79/92/969657992.db2.gz XKZDHUJNZRNTAT-LJQANCHMSA-N 1 3 360.502 2.734 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000659279412 969791719 /nfs/dbraw/zinc/79/17/19/969791719.db2.gz MGALJASMBUHGKT-IBGZPJMESA-N 1 3 366.465 2.750 20 0 FFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000659353706 969855293 /nfs/dbraw/zinc/85/52/93/969855293.db2.gz RXWNESNVGBMTAO-HBMCJLEFSA-N 1 3 367.493 2.737 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC2([NH3+])CCCC2)N(C)C)cc1 ZINC000659493495 969983610 /nfs/dbraw/zinc/98/36/10/969983610.db2.gz SYDOVIOBDLHKGS-SFHVURJKSA-N 1 3 362.518 2.647 20 0 FFADHO Cc1ccccc1C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104680756 970090590 /nfs/dbraw/zinc/09/05/90/970090590.db2.gz XLHNSWYBXGTSBZ-FBBABVLZSA-N 1 3 357.542 2.911 20 0 FFADHO CCC1([NH3+])CCN(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000892933085 970378561 /nfs/dbraw/zinc/37/85/61/970378561.db2.gz DFSSZDGYEIXOAN-RBUKOAKNSA-N 1 3 356.514 2.516 20 0 FFADHO F[C@H]1CC2(CC[C@@H]1[NH2+]CC1CCN(Cc3ccncc3)CC1)OCCO2 ZINC000895345961 970432945 /nfs/dbraw/zinc/43/29/45/970432945.db2.gz AXSYFMFYMBYQEF-OALUTQOASA-N 1 3 363.477 2.517 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1cc2ccccc2o1 ZINC001087828211 970451992 /nfs/dbraw/zinc/45/19/92/970451992.db2.gz DORWKRUBDFRLRD-NZSAHSFTSA-N 1 3 355.482 2.854 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1cc2ccccc2o1 ZINC001087828211 970451994 /nfs/dbraw/zinc/45/19/94/970451994.db2.gz DORWKRUBDFRLRD-NZSAHSFTSA-N 1 3 355.482 2.854 20 0 FFADHO CCCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524535 972816160 /nfs/dbraw/zinc/81/61/60/972816160.db2.gz UBTORAKCTBTHHK-ZVDOUQERSA-N 1 3 367.578 2.608 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccsc4)CC[C@@H]3C2)C1 ZINC001088107157 972828527 /nfs/dbraw/zinc/82/85/27/972828527.db2.gz JYTNLUIBADVGFA-MSOLQXFVSA-N 1 3 361.555 2.760 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccsc4)CC[C@@H]3C2)C1 ZINC001088107157 972828536 /nfs/dbraw/zinc/82/85/36/972828536.db2.gz JYTNLUIBADVGFA-MSOLQXFVSA-N 1 3 361.555 2.760 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@@H+](CC4CCC4)CC[C@@H]3C2)C1 ZINC001088106956 972829580 /nfs/dbraw/zinc/82/95/80/972829580.db2.gz YGGFCMQNIHPWIS-LQWHRVPQSA-N 1 3 365.537 2.779 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@H+](CC4CCC4)CC[C@@H]3C2)C1 ZINC001088106956 972829589 /nfs/dbraw/zinc/82/95/89/972829589.db2.gz YGGFCMQNIHPWIS-LQWHRVPQSA-N 1 3 365.537 2.779 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC(OC(C)(C)C)CC1 ZINC000875713583 1014066283 /nfs/dbraw/zinc/06/62/83/1014066283.db2.gz OPCQYLRBUWNIMC-AOCRQIFASA-N 1 3 370.582 2.684 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC(OC(C)(C)C)CC1 ZINC000875713583 1014066286 /nfs/dbraw/zinc/06/62/86/1014066286.db2.gz OPCQYLRBUWNIMC-AOCRQIFASA-N 1 3 370.582 2.684 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001088129315 972972787 /nfs/dbraw/zinc/97/27/87/972972787.db2.gz HSKHEPIKQZCEGD-DYXWJJEUSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1 ZINC001088129315 972972792 /nfs/dbraw/zinc/97/27/92/972972792.db2.gz HSKHEPIKQZCEGD-DYXWJJEUSA-N 1 3 370.541 2.625 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088158031 973246995 /nfs/dbraw/zinc/24/69/95/973246995.db2.gz TZARFQDUXQFJHQ-CEXWTWQISA-N 1 3 353.526 2.635 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000897217696 973453576 /nfs/dbraw/zinc/45/35/76/973453576.db2.gz FVKWHLOOZUIFHD-TZIWHRDSSA-N 1 3 373.541 2.925 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661100788 973578680 /nfs/dbraw/zinc/57/86/80/973578680.db2.gz WGOAADDCOZGTCP-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661100788 973578687 /nfs/dbraw/zinc/57/86/87/973578687.db2.gz WGOAADDCOZGTCP-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001088212734 973681278 /nfs/dbraw/zinc/68/12/78/973681278.db2.gz MAWLMWQKRBGCDU-FGTMMUONSA-N 1 3 369.500 2.686 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001088212734 973681283 /nfs/dbraw/zinc/68/12/83/973681283.db2.gz MAWLMWQKRBGCDU-FGTMMUONSA-N 1 3 369.500 2.686 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000665758183 974086668 /nfs/dbraw/zinc/08/66/68/974086668.db2.gz AIOOCMAFZWQMRO-JKSUJKDBSA-N 1 3 364.509 2.726 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000665758183 974086675 /nfs/dbraw/zinc/08/66/75/974086675.db2.gz AIOOCMAFZWQMRO-JKSUJKDBSA-N 1 3 364.509 2.726 20 0 FFADHO C[C@]12COC[C@@H]1CN(Cc1cc(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)ccc1F)C2 ZINC000661710173 974694813 /nfs/dbraw/zinc/69/48/13/974694813.db2.gz SFOIURBJXJIWHZ-LGGPRVQUSA-N 1 3 374.500 2.762 20 0 FFADHO C[C@]12COC[C@@H]1CN(Cc1cc(C[N@H+]3C[C@H]4COC[C@]4(C)C3)ccc1F)C2 ZINC000661710173 974694817 /nfs/dbraw/zinc/69/48/17/974694817.db2.gz SFOIURBJXJIWHZ-LGGPRVQUSA-N 1 3 374.500 2.762 20 0 FFADHO C[C@]12COC[C@H]1CN(Cc1cc(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)ccc1F)C2 ZINC000661710176 974694849 /nfs/dbraw/zinc/69/48/49/974694849.db2.gz SFOIURBJXJIWHZ-MXNKGDRCSA-N 1 3 374.500 2.762 20 0 FFADHO C[C@]12COC[C@H]1CN(Cc1cc(C[N@H+]3C[C@H]4COC[C@]4(C)C3)ccc1F)C2 ZINC000661710176 974694852 /nfs/dbraw/zinc/69/48/52/974694852.db2.gz SFOIURBJXJIWHZ-MXNKGDRCSA-N 1 3 374.500 2.762 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]([C@@H]2CCCCO2)C1)c1ccccc1 ZINC000661872432 974892925 /nfs/dbraw/zinc/89/29/25/974892925.db2.gz AEJWFRSBLSDGEQ-HBMCJLEFSA-N 1 3 373.541 2.687 20 0 FFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345510 974941314 /nfs/dbraw/zinc/94/13/14/974941314.db2.gz DCIGLUFCPLMOCN-HBMCJLEFSA-N 1 3 373.541 2.642 20 0 FFADHO C[NH+](C)CCOc1ccc(CNCc2ccccc2Cn2cncn2)cc1 ZINC000048711279 974964707 /nfs/dbraw/zinc/96/47/07/974964707.db2.gz VWUDDSULIGFSFV-UHFFFAOYSA-N 1 3 365.481 2.557 20 0 FFADHO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000653148725 1014236206 /nfs/dbraw/zinc/23/62/06/1014236206.db2.gz JIPCNJFEESNRHF-LEWJYISDSA-N 1 3 355.526 2.684 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653155704 1014240692 /nfs/dbraw/zinc/24/06/92/1014240692.db2.gz CMEOUFRSTNLGHQ-VQTJNVASSA-N 1 3 356.514 2.686 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCF)C2)C1 ZINC001112529729 975355162 /nfs/dbraw/zinc/35/51/62/975355162.db2.gz MFCPVBCKJXRVOY-VDGAXYAQSA-N 1 3 371.516 2.777 20 0 FFADHO COc1ccccc1N1CC[C@@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662293051 975407588 /nfs/dbraw/zinc/40/75/88/975407588.db2.gz JBLDQXGZHOIZRW-IEBWSBKVSA-N 1 3 357.498 2.512 20 0 FFADHO O=C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)N(Cc1ccccc1)C1CC1 ZINC000662293871 975407902 /nfs/dbraw/zinc/40/79/02/975407902.db2.gz UGQSGEMRRCMQBF-FQEVSTJZSA-N 1 3 355.526 2.889 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995031 975591430 /nfs/dbraw/zinc/59/14/30/975591430.db2.gz AUFUCGLEOXRBIB-HUUCEWRRSA-N 1 3 361.486 2.685 20 0 FFADHO CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369101 975631952 /nfs/dbraw/zinc/63/19/52/975631952.db2.gz WVFCURKTCZAJLO-SFTDATJTSA-N 1 3 360.542 2.912 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662507781 975664742 /nfs/dbraw/zinc/66/47/42/975664742.db2.gz QZXKHABGZFPSIM-KKSFZXQISA-N 1 3 364.493 2.958 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC001027892126 975717613 /nfs/dbraw/zinc/71/76/13/975717613.db2.gz OMRAKOZRCLSLTD-NSISKUIASA-N 1 3 366.509 2.656 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc3ncccc3c2)CC[N@H+]1C ZINC001027892126 975717625 /nfs/dbraw/zinc/71/76/25/975717625.db2.gz OMRAKOZRCLSLTD-NSISKUIASA-N 1 3 366.509 2.656 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663420181 975848608 /nfs/dbraw/zinc/84/86/08/975848608.db2.gz LYXQVXHNZRSGNV-ICSRJNTNSA-N 1 3 358.530 2.711 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663420181 975848622 /nfs/dbraw/zinc/84/86/22/975848622.db2.gz LYXQVXHNZRSGNV-ICSRJNTNSA-N 1 3 358.530 2.711 20 0 FFADHO CC(C)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000663425307 975858827 /nfs/dbraw/zinc/85/88/27/975858827.db2.gz OYNOFDWXHDOBFN-CVEARBPZSA-N 1 3 370.545 2.897 20 0 FFADHO CC(C)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000663425307 975858838 /nfs/dbraw/zinc/85/88/38/975858838.db2.gz OYNOFDWXHDOBFN-CVEARBPZSA-N 1 3 370.545 2.897 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001112531637 975943505 /nfs/dbraw/zinc/94/35/05/975943505.db2.gz JAOCNCPEVARTEB-ZQIUZPCESA-N 1 3 362.345 2.864 20 0 FFADHO CC[N@@H+](Cc1c(C)nn(CCO)c1C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093818715 976059160 /nfs/dbraw/zinc/05/91/60/976059160.db2.gz XWJLNEMXZWWVKJ-OAQYLSRUSA-N 1 3 370.541 2.836 20 0 FFADHO CC[N@H+](Cc1c(C)nn(CCO)c1C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093818715 976059171 /nfs/dbraw/zinc/05/91/71/976059171.db2.gz XWJLNEMXZWWVKJ-OAQYLSRUSA-N 1 3 370.541 2.836 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000899020065 976867516 /nfs/dbraw/zinc/86/75/16/976867516.db2.gz SASWVSWPAPOQHH-GHTZIAJQSA-N 1 3 373.541 2.973 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000899020065 976867529 /nfs/dbraw/zinc/86/75/29/976867529.db2.gz SASWVSWPAPOQHH-GHTZIAJQSA-N 1 3 373.541 2.973 20 0 FFADHO Cc1ccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)c(C)n1 ZINC000990761640 976953387 /nfs/dbraw/zinc/95/33/87/976953387.db2.gz JVQZGFUQKUTKRS-PBVWOCPUSA-N 1 3 370.541 2.652 20 0 FFADHO Cc1ccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)c(C)n1 ZINC000990761640 976953399 /nfs/dbraw/zinc/95/33/99/976953399.db2.gz JVQZGFUQKUTKRS-PBVWOCPUSA-N 1 3 370.541 2.652 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793522 977039155 /nfs/dbraw/zinc/03/91/55/977039155.db2.gz DDSDHUCWCJGDIP-GASCZTMLSA-N 1 3 359.518 2.605 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793522 977039167 /nfs/dbraw/zinc/03/91/67/977039167.db2.gz DDSDHUCWCJGDIP-GASCZTMLSA-N 1 3 359.518 2.605 20 0 FFADHO CCc1ccc([C@H](CNC(=O)Nc2cnc3c(c2)CNCC3)[NH+](C)C)cc1 ZINC000667790928 977044683 /nfs/dbraw/zinc/04/46/83/977044683.db2.gz IAMQDXCCFUDXPL-FQEVSTJZSA-N 1 3 367.497 2.714 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000667795815 977054885 /nfs/dbraw/zinc/05/48/85/977054885.db2.gz QNNGLINYGQJDEU-KRWDZBQOSA-N 1 3 371.529 2.847 20 0 FFADHO O=C([C@H]1CCCN1C1CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899448049 977157809 /nfs/dbraw/zinc/15/78/09/977157809.db2.gz GDPGBJBKBKEQLD-QKNQBKEWSA-N 1 3 353.510 2.594 20 0 FFADHO O=C([C@H]1CCCN1C1CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899448049 977157813 /nfs/dbraw/zinc/15/78/13/977157813.db2.gz GDPGBJBKBKEQLD-QKNQBKEWSA-N 1 3 353.510 2.594 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCF)CC[C@@H]2c2ccccc2)C1 ZINC001087441382 977488125 /nfs/dbraw/zinc/48/81/25/977488125.db2.gz DPIOUNRDNDHPJU-MISYRCLQSA-N 1 3 361.505 2.662 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCF)CC[C@@H]2c2ccccc2)C1 ZINC001087441382 977488127 /nfs/dbraw/zinc/48/81/27/977488127.db2.gz DPIOUNRDNDHPJU-MISYRCLQSA-N 1 3 361.505 2.662 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCCN4C)CC2)CC1 ZINC000893814935 977555067 /nfs/dbraw/zinc/55/50/67/977555067.db2.gz YRYKAMKGXXSNLO-NTFDOXNWSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894064286 977651886 /nfs/dbraw/zinc/65/18/86/977651886.db2.gz RSJOPGAJIMKKOB-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894064286 977651892 /nfs/dbraw/zinc/65/18/92/977651892.db2.gz RSJOPGAJIMKKOB-SXLOBPIMSA-N 1 3 358.530 2.633 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1 ZINC000876902161 1014416037 /nfs/dbraw/zinc/41/60/37/1014416037.db2.gz AMHJJPXDCXNJHD-CVEMATEFSA-N 1 3 357.498 2.504 20 0 FFADHO Cc1cccc2[nH]cc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c21 ZINC000663977209 977814010 /nfs/dbraw/zinc/81/40/10/977814010.db2.gz TYQZUYHSRUUQHU-KRWDZBQOSA-N 1 3 373.545 2.590 20 0 FFADHO Cc1cccc2[nH]cc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c21 ZINC000663977209 977814018 /nfs/dbraw/zinc/81/40/18/977814018.db2.gz TYQZUYHSRUUQHU-KRWDZBQOSA-N 1 3 373.545 2.590 20 0 FFADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001087458795 977930975 /nfs/dbraw/zinc/93/09/75/977930975.db2.gz VIXYVKQBSXGQJU-WOJBJXKFSA-N 1 3 361.505 2.852 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2CCN(Cc3cccc(F)c3)CC2)CC[N@@H+]1C ZINC001482042093 977952493 /nfs/dbraw/zinc/95/24/93/977952493.db2.gz FETDXBWJPANXNE-OXQOHEQNSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2CCN(Cc3cccc(F)c3)CC2)CC[N@H+]1C ZINC001482042093 977952497 /nfs/dbraw/zinc/95/24/97/977952497.db2.gz FETDXBWJPANXNE-OXQOHEQNSA-N 1 3 361.505 2.884 20 0 FFADHO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664075378 977985151 /nfs/dbraw/zinc/98/51/51/977985151.db2.gz SKNPPOSGMSGKMD-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000664075378 977985163 /nfs/dbraw/zinc/98/51/63/977985163.db2.gz SKNPPOSGMSGKMD-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000664183541 978333146 /nfs/dbraw/zinc/33/31/46/978333146.db2.gz KKBVMOLTBSBMRP-KBXCAEBGSA-N 1 3 370.488 2.987 20 0 FFADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000664183541 978333154 /nfs/dbraw/zinc/33/31/54/978333154.db2.gz KKBVMOLTBSBMRP-KBXCAEBGSA-N 1 3 370.488 2.987 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001076457648 979516343 /nfs/dbraw/zinc/51/63/43/979516343.db2.gz LYUVAISUYPDXCW-HSALFYBXSA-N 1 3 359.489 2.531 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001076457648 979516346 /nfs/dbraw/zinc/51/63/46/979516346.db2.gz LYUVAISUYPDXCW-HSALFYBXSA-N 1 3 359.489 2.531 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001088494823 980067804 /nfs/dbraw/zinc/06/78/04/980067804.db2.gz PXLKQYQNLZAWLW-UXPWSPDFSA-N 1 3 358.530 2.687 20 0 FFADHO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001088494823 980067809 /nfs/dbraw/zinc/06/78/09/980067809.db2.gz PXLKQYQNLZAWLW-UXPWSPDFSA-N 1 3 358.530 2.687 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494823 980067812 /nfs/dbraw/zinc/06/78/12/980067812.db2.gz PXLKQYQNLZAWLW-UXPWSPDFSA-N 1 3 358.530 2.687 20 0 FFADHO Cc1nc(C(C)C)ccc1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494823 980067820 /nfs/dbraw/zinc/06/78/20/980067820.db2.gz PXLKQYQNLZAWLW-UXPWSPDFSA-N 1 3 358.530 2.687 20 0 FFADHO COc1cnccc1N1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000904594280 980306453 /nfs/dbraw/zinc/30/64/53/980306453.db2.gz TYRYJAIYDHTBHW-UHFFFAOYSA-N 1 3 369.469 2.638 20 0 FFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)C[C@H](O)c1ccccc1 ZINC000905027709 980374244 /nfs/dbraw/zinc/37/42/44/980374244.db2.gz QQEBWLKTVLSIHT-YADHBBJMSA-N 1 3 354.494 2.857 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)CC1(O)CCCC1 ZINC000905379673 980431272 /nfs/dbraw/zinc/43/12/72/980431272.db2.gz DOXOOQMPWNTZBT-SFTDATJTSA-N 1 3 372.553 2.934 20 0 FFADHO COCCN(Cc1cnc(C)n1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000877665105 1014668632 /nfs/dbraw/zinc/66/86/32/1014668632.db2.gz HLLTWWKDCNGLGR-UHFFFAOYSA-N 1 3 356.514 2.971 20 0 FFADHO Cc1ccnc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211914643 980783605 /nfs/dbraw/zinc/78/36/05/980783605.db2.gz BVTWGDAOHLLOBN-QGZVFWFLSA-N 1 3 361.449 2.629 20 0 FFADHO Cc1ccnc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211914643 980783609 /nfs/dbraw/zinc/78/36/09/980783609.db2.gz BVTWGDAOHLLOBN-QGZVFWFLSA-N 1 3 361.449 2.629 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCOC3CCCCCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088577317 981282461 /nfs/dbraw/zinc/28/24/61/981282461.db2.gz NCRHDCARLQNUCK-LFGUQSLTSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCOC3CCCCCC3)[C@@H]2C)CC[N@H+]1C ZINC001088577317 981282462 /nfs/dbraw/zinc/28/24/62/981282462.db2.gz NCRHDCARLQNUCK-LFGUQSLTSA-N 1 3 365.562 2.645 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000668665724 981383929 /nfs/dbraw/zinc/38/39/29/981383929.db2.gz NEMYCEYNNYDHFQ-PWRODBHTSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000908610657 981476420 /nfs/dbraw/zinc/47/64/20/981476420.db2.gz YEKXLIVGEZRGHC-UHFFFAOYSA-N 1 3 373.541 2.638 20 0 FFADHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(OC)c1OC ZINC000650722556 1014750204 /nfs/dbraw/zinc/75/02/04/1014750204.db2.gz WNBUQIKGWJHVAD-GVDBMIGSSA-N 1 3 364.486 2.573 20 0 FFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccn1 ZINC000910348574 981911429 /nfs/dbraw/zinc/91/14/29/981911429.db2.gz ROTYTHTWWKXPCT-IBGZPJMESA-N 1 3 358.530 2.845 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C(=O)c3nsc4ccccc43)CC2)CC1 ZINC000911190776 982163269 /nfs/dbraw/zinc/16/32/69/982163269.db2.gz OMWRLZJHHYVKQC-UHFFFAOYSA-N 1 3 372.538 2.929 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C(=O)c3nsc4ccccc43)CC2)CC1 ZINC000911190776 982163271 /nfs/dbraw/zinc/16/32/71/982163271.db2.gz OMWRLZJHHYVKQC-UHFFFAOYSA-N 1 3 372.538 2.929 20 0 FFADHO CC[C@H](CNC(=S)NCC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000760466732 982417740 /nfs/dbraw/zinc/41/77/40/982417740.db2.gz HERJMNOQMHNXIQ-HXUWFJFHSA-N 1 3 374.598 2.629 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1cccc(OC)c1 ZINC000668899901 983916649 /nfs/dbraw/zinc/91/66/49/983916649.db2.gz LHGDWDRLOLNPPA-GOSISDBHSA-N 1 3 362.518 2.601 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000157111167 984457643 /nfs/dbraw/zinc/45/76/43/984457643.db2.gz CYXJAEIMMFIDAY-UXHICEINSA-N 1 3 355.526 2.984 20 0 FFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000157111167 984457644 /nfs/dbraw/zinc/45/76/44/984457644.db2.gz CYXJAEIMMFIDAY-UXHICEINSA-N 1 3 355.526 2.984 20 0 FFADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000669389223 984512536 /nfs/dbraw/zinc/51/25/36/984512536.db2.gz ZRZIQLVOPSLURD-APWZRJJASA-N 1 3 358.530 2.592 20 0 FFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107442320 984543866 /nfs/dbraw/zinc/54/38/66/984543866.db2.gz BBPJJWCXGNRACR-VEKGVWFISA-N 1 3 353.938 2.974 20 0 FFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107442320 984543870 /nfs/dbraw/zinc/54/38/70/984543870.db2.gz BBPJJWCXGNRACR-VEKGVWFISA-N 1 3 353.938 2.974 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444492 984545651 /nfs/dbraw/zinc/54/56/51/984545651.db2.gz LFUSXKIRHMTPOP-SVFBPWRDSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444492 984545655 /nfs/dbraw/zinc/54/56/55/984545655.db2.gz LFUSXKIRHMTPOP-SVFBPWRDSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(F)(F)C1)CC2)N(C)C ZINC001107444735 984545948 /nfs/dbraw/zinc/54/59/48/984545948.db2.gz YUOLUWSLGNSSTQ-ZIFCJYIRSA-N 1 3 371.516 2.979 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(F)(F)C1)CC2)N(C)C ZINC001107444735 984545952 /nfs/dbraw/zinc/54/59/52/984545952.db2.gz YUOLUWSLGNSSTQ-ZIFCJYIRSA-N 1 3 371.516 2.979 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC(C)C)CC2 ZINC001107455096 984560489 /nfs/dbraw/zinc/56/04/89/984560489.db2.gz VSPNIHQQOVTDKI-WIYYLYMNSA-N 1 3 367.578 2.893 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOC(C)C)CC2 ZINC001107455096 984560494 /nfs/dbraw/zinc/56/04/94/984560494.db2.gz VSPNIHQQOVTDKI-WIYYLYMNSA-N 1 3 367.578 2.893 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2)N(C)C ZINC001107538664 984652099 /nfs/dbraw/zinc/65/20/99/984652099.db2.gz RJKOOUYDJCXOGS-SFHLNBCPSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2)N(C)C ZINC001107538664 984652102 /nfs/dbraw/zinc/65/21/02/984652102.db2.gz RJKOOUYDJCXOGS-SFHLNBCPSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@]1(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CCC[NH2+]C1 ZINC000669483621 984652067 /nfs/dbraw/zinc/65/20/67/984652067.db2.gz FARFHVRPMTXAKC-CTNGQTDRSA-N 1 3 358.530 2.903 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483730 984653372 /nfs/dbraw/zinc/65/33/72/984653372.db2.gz KCIOSVFQJPLDHB-HXUWFJFHSA-N 1 3 356.514 2.823 20 0 FFADHO COCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001107564232 984707136 /nfs/dbraw/zinc/70/71/36/984707136.db2.gz NPWAIRCONCUASS-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO COCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001107564232 984707140 /nfs/dbraw/zinc/70/71/40/984707140.db2.gz NPWAIRCONCUASS-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2c(c1)CNC2 ZINC000669520312 984715707 /nfs/dbraw/zinc/71/57/07/984715707.db2.gz DINTXSSYYLHQPG-QUCCMNQESA-N 1 3 353.441 2.552 20 0 FFADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000765426595 985085329 /nfs/dbraw/zinc/08/53/29/985085329.db2.gz NOHUTTIPEDGGBV-GCJKJVERSA-N 1 3 357.542 2.882 20 0 FFADHO COC(=O)/C=C/c1cc(F)c(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206027240 1032111877 /nfs/dbraw/zinc/11/18/77/1032111877.db2.gz VGQBPQCYCLPZRC-RFMXEPQUSA-N 1 3 352.425 2.958 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)C[NH+](CC)CC)c2)CC1 ZINC000473818861 986178857 /nfs/dbraw/zinc/17/88/57/986178857.db2.gz MILGEAWMIOGWTI-QGZVFWFLSA-N 1 3 361.534 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@@H]3CCCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001483734969 987025415 /nfs/dbraw/zinc/02/54/15/987025415.db2.gz KOQVENJEKIBEET-LSBZLQRGSA-N 1 3 359.489 2.782 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@@H]3CCCc4ccc(F)cc43)CC2)CC[N@H+]1C ZINC001483734969 987025430 /nfs/dbraw/zinc/02/54/30/987025430.db2.gz KOQVENJEKIBEET-LSBZLQRGSA-N 1 3 359.489 2.782 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1 ZINC000913948751 987061133 /nfs/dbraw/zinc/06/11/33/987061133.db2.gz RRKHEDPYOPGDMG-SCCNAQOGSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](C[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)CN(C)C ZINC000922139707 987733063 /nfs/dbraw/zinc/73/30/63/987733063.db2.gz KEKKKZPSXVMLRY-DLBZAZTESA-N 1 3 369.550 2.722 20 0 FFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001106245469 987750866 /nfs/dbraw/zinc/75/08/66/987750866.db2.gz AOXNDRBHEPHCCD-UYAOXDASSA-N 1 3 357.542 2.706 20 0 FFADHO Cc1ccc(CCC[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001106249173 987758600 /nfs/dbraw/zinc/75/86/00/987758600.db2.gz BILSPHNPGLYYQX-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO CC[C@@H](C)CN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496044 987767674 /nfs/dbraw/zinc/76/76/74/987767674.db2.gz WIHGDJNJWXNCHM-KBAYOESNSA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H](C)CN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496044 987767677 /nfs/dbraw/zinc/76/76/77/987767677.db2.gz WIHGDJNJWXNCHM-KBAYOESNSA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC000922389176 988535966 /nfs/dbraw/zinc/53/59/66/988535966.db2.gz SFPNJJPZGBEXMG-YSFYHYPLSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(Cc3ccccc3)c1)C2 ZINC000922389176 988535979 /nfs/dbraw/zinc/53/59/79/988535979.db2.gz SFPNJJPZGBEXMG-YSFYHYPLSA-N 1 3 368.525 2.501 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC000922391719 988549702 /nfs/dbraw/zinc/54/97/02/988549702.db2.gz YPIHCYNSMRNRKE-VXNCWWDNSA-N 1 3 372.431 2.996 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(OC(F)F)cc1F)C2 ZINC000922391719 988549706 /nfs/dbraw/zinc/54/97/06/988549706.db2.gz YPIHCYNSMRNRKE-VXNCWWDNSA-N 1 3 372.431 2.996 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001106666256 988609175 /nfs/dbraw/zinc/60/91/75/988609175.db2.gz ICRKXGKQWAPWTE-LEMKKCAESA-N 1 3 359.917 2.636 20 0 FFADHO CCc1ccccc1CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106674078 988618313 /nfs/dbraw/zinc/61/83/13/988618313.db2.gz QKJJDLWNDWVOPD-UIFIKXQLSA-N 1 3 359.558 2.816 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001033092059 988773441 /nfs/dbraw/zinc/77/34/41/988773441.db2.gz QSBBESDAEIRLLU-ATZDWAIDSA-N 1 3 354.498 2.541 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001033092059 988773452 /nfs/dbraw/zinc/77/34/52/988773452.db2.gz QSBBESDAEIRLLU-ATZDWAIDSA-N 1 3 354.498 2.541 20 0 FFADHO COCCOCc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673602165 988775711 /nfs/dbraw/zinc/77/57/11/988775711.db2.gz SCPIYYVVCYWPGZ-OAQYLSRUSA-N 1 3 362.514 2.583 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247816 1015437073 /nfs/dbraw/zinc/43/70/73/1015437073.db2.gz GMWYKBARKUXBPH-HKUYNNGSSA-N 1 3 371.525 2.823 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2conc2C)[C@H](C)C1 ZINC001106775605 989020089 /nfs/dbraw/zinc/02/00/89/989020089.db2.gz SRTXOYOPSXSTRR-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)no2)[C@H](C)C1 ZINC001106775664 989020159 /nfs/dbraw/zinc/02/01/59/989020159.db2.gz WZLXYPIOGLMPOJ-SJLPKXTDSA-N 1 3 364.534 2.679 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1(C)C ZINC000186730208 989151378 /nfs/dbraw/zinc/15/13/78/989151378.db2.gz QSTKOIZLNMIJNR-RXVVDRJESA-N 1 3 361.530 2.677 20 0 FFADHO c1ccc([C@@H]2CC[C@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C[NH2+]2)cc1 ZINC001212211826 989165149 /nfs/dbraw/zinc/16/51/49/989165149.db2.gz IBVZCECAFYEDHG-IRXDYDNUSA-N 1 3 361.449 2.986 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000673770673 989254175 /nfs/dbraw/zinc/25/41/75/989254175.db2.gz PBUNYNRTNRUOKL-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000673770673 989254183 /nfs/dbraw/zinc/25/41/83/989254183.db2.gz PBUNYNRTNRUOKL-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO O=C1OCCN1CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000766128028 990235820 /nfs/dbraw/zinc/23/58/20/990235820.db2.gz HXRNZPLDZCTIHJ-VQTJNVASSA-N 1 3 357.498 2.815 20 0 FFADHO O=C1OCCN1CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000766128028 990235828 /nfs/dbraw/zinc/23/58/28/990235828.db2.gz HXRNZPLDZCTIHJ-VQTJNVASSA-N 1 3 357.498 2.815 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000675532369 990298021 /nfs/dbraw/zinc/29/80/21/990298021.db2.gz GEPOMEQEPRWFGU-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000675532369 990298023 /nfs/dbraw/zinc/29/80/23/990298023.db2.gz GEPOMEQEPRWFGU-MISYRCLQSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](CCN1CCC[C@H](n2ccnc2)C1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676250934 990523888 /nfs/dbraw/zinc/52/38/88/990523888.db2.gz ZIHSKGCLIKBSQK-AABGKKOBSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CCN1CCC[C@H](n2ccnc2)C1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676250934 990523895 /nfs/dbraw/zinc/52/38/95/990523895.db2.gz ZIHSKGCLIKBSQK-AABGKKOBSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@H](n2ccnc2)C1)N1CCC[C@H](n2ccnc2)C1 ZINC000676250934 990523905 /nfs/dbraw/zinc/52/39/05/990523905.db2.gz ZIHSKGCLIKBSQK-AABGKKOBSA-N 1 3 356.518 2.832 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@H](n2ccnc2)C1)N1CCC[C@H](n2ccnc2)C1 ZINC000676250934 990523912 /nfs/dbraw/zinc/52/39/12/990523912.db2.gz ZIHSKGCLIKBSQK-AABGKKOBSA-N 1 3 356.518 2.832 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000676692411 990643768 /nfs/dbraw/zinc/64/37/68/990643768.db2.gz BJCQIXVMDFKVJU-HKUYNNGSSA-N 1 3 373.545 2.781 20 0 FFADHO CN1CC[NH+](C2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000879593992 1015600663 /nfs/dbraw/zinc/60/06/63/1015600663.db2.gz UPNWRWKVXYJHNK-UHFFFAOYSA-N 1 3 371.447 2.840 20 0 FFADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923498672 991193426 /nfs/dbraw/zinc/19/34/26/991193426.db2.gz KOUWEMPXWXOLQO-QRFRQXIXSA-N 1 3 359.514 2.666 20 0 FFADHO N[C@H](CC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccccc1 ZINC000237875267 991374341 /nfs/dbraw/zinc/37/43/41/991374341.db2.gz IQGVHNHJFIWPHO-GOSISDBHSA-N 1 3 367.449 2.624 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[C@H](C)C1 ZINC001106910698 991520743 /nfs/dbraw/zinc/52/07/43/991520743.db2.gz KPAAXPQELYJKQX-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001079681580 992305188 /nfs/dbraw/zinc/30/51/88/992305188.db2.gz RRTPGLJUBQJFNO-ZPMCFJSWSA-N 1 3 369.553 2.985 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001079681580 992305200 /nfs/dbraw/zinc/30/52/00/992305200.db2.gz RRTPGLJUBQJFNO-ZPMCFJSWSA-N 1 3 369.553 2.985 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001079687565 992315058 /nfs/dbraw/zinc/31/50/58/992315058.db2.gz RFEKKXQWNMWXND-MAODMQOUSA-N 1 3 368.525 2.977 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001079687565 992315067 /nfs/dbraw/zinc/31/50/67/992315067.db2.gz RFEKKXQWNMWXND-MAODMQOUSA-N 1 3 368.525 2.977 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001079710520 992350451 /nfs/dbraw/zinc/35/04/51/992350451.db2.gz MDMPIRQXMXJWMX-VOQZNFBZSA-N 1 3 369.553 2.917 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001079806366 992458241 /nfs/dbraw/zinc/45/82/41/992458241.db2.gz DNQKGFRSMDGURQ-HBGVWJBISA-N 1 3 368.525 2.979 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C ZINC001079806366 992458244 /nfs/dbraw/zinc/45/82/44/992458244.db2.gz DNQKGFRSMDGURQ-HBGVWJBISA-N 1 3 368.525 2.979 20 0 FFADHO Cc1cc(C)cc(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001080037178 992687260 /nfs/dbraw/zinc/68/72/60/992687260.db2.gz GBQLOTHBRHZMNF-UYAOXDASSA-N 1 3 355.526 2.868 20 0 FFADHO O=C(CN1CCCCC[C@H]1CCO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000671248136 993228391 /nfs/dbraw/zinc/22/83/91/993228391.db2.gz MHXSVLGFTKBRBX-NRFANRHFSA-N 1 3 373.541 2.526 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080782925 993334073 /nfs/dbraw/zinc/33/40/73/993334073.db2.gz GZGOJFQRRWDMEG-PLMTUMEDSA-N 1 3 355.526 2.842 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080782925 993334077 /nfs/dbraw/zinc/33/40/77/993334077.db2.gz GZGOJFQRRWDMEG-PLMTUMEDSA-N 1 3 355.526 2.842 20 0 FFADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2c2ccccc2)C1 ZINC001081189172 993745271 /nfs/dbraw/zinc/74/52/71/993745271.db2.gz NAYJYJITRGSFGZ-ZGIUJUBFSA-N 1 3 352.482 2.583 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(CN2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000880476459 1015846089 /nfs/dbraw/zinc/84/60/89/1015846089.db2.gz XCLVBSPSKUSNDF-UHFFFAOYSA-N 1 3 366.546 2.810 20 0 FFADHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCC(C)C)CC1)N(C)C ZINC001131519050 994348353 /nfs/dbraw/zinc/34/83/53/994348353.db2.gz COMGDQXZKMYUJK-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CC[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001131511948 994354891 /nfs/dbraw/zinc/35/48/91/994354891.db2.gz FDWAJPDZLMEOMW-UHOSZYNNSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC2CCC2)CC1 ZINC001131522598 994363898 /nfs/dbraw/zinc/36/38/98/994363898.db2.gz OTRPYYVKWGEEFP-MOPGFXCFSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000903439299 1015893302 /nfs/dbraw/zinc/89/33/02/1015893302.db2.gz DZZMDEXOIILDNC-XLIONFOSSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC001082557683 994927103 /nfs/dbraw/zinc/92/71/03/994927103.db2.gz ZBIYVDZHECORKV-MDASCCDHSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCc1ccccc1Cl ZINC001082559805 994933548 /nfs/dbraw/zinc/93/35/48/994933548.db2.gz PTOPNSFHHZONDP-ZMYBRWDISA-N 1 3 363.933 2.659 20 0 FFADHO CCCOc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C)c1 ZINC001082589157 995001400 /nfs/dbraw/zinc/00/14/00/995001400.db2.gz LSCXIJMGTFLPBV-NSISKUIASA-N 1 3 361.530 2.752 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1)N(C)C ZINC001082588958 995001582 /nfs/dbraw/zinc/00/15/82/995001582.db2.gz ACDUAUCFWLDBOD-NSISKUIASA-N 1 3 361.530 2.751 20 0 FFADHO Cc1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c(C)nn1 ZINC000903464818 1015911285 /nfs/dbraw/zinc/91/12/85/1015911285.db2.gz XYCLXWKDKSKALT-UHFFFAOYSA-N 1 3 354.502 2.663 20 0 FFADHO Cc1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c(C)nn1 ZINC000903464818 1015911288 /nfs/dbraw/zinc/91/12/88/1015911288.db2.gz XYCLXWKDKSKALT-UHFFFAOYSA-N 1 3 354.502 2.663 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C)c1 ZINC001082705744 995310656 /nfs/dbraw/zinc/31/06/56/995310656.db2.gz YHIKRKAAMHFXFQ-NHAYFPRASA-N 1 3 361.505 2.801 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C)c1 ZINC001082705744 995310660 /nfs/dbraw/zinc/31/06/60/995310660.db2.gz YHIKRKAAMHFXFQ-NHAYFPRASA-N 1 3 361.505 2.801 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001082724866 995362751 /nfs/dbraw/zinc/36/27/51/995362751.db2.gz QMTBIYFMMMKOAN-ZTFGCOKTSA-N 1 3 351.922 2.863 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccccc1OC1CC1 ZINC001082742438 995400334 /nfs/dbraw/zinc/40/03/34/995400334.db2.gz FQQYJDXCZSZESY-SQGPQFPESA-N 1 3 371.525 2.506 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001082743599 995402752 /nfs/dbraw/zinc/40/27/52/995402752.db2.gz NNIPRBQNSFNISP-VQIMIIECSA-N 1 3 361.505 2.825 20 0 FFADHO C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c2ccccc2O1 ZINC000813057928 995607193 /nfs/dbraw/zinc/60/71/93/995607193.db2.gz ASEJBWQFBBPSSB-FOIQADDNSA-N 1 3 363.477 2.555 20 0 FFADHO C[C@@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)c1ccc(F)cc1F ZINC001082863618 995671247 /nfs/dbraw/zinc/67/12/47/995671247.db2.gz MSPMPPWNPMBZDZ-HBUWYVDXSA-N 1 3 363.452 2.558 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001082943447 995882064 /nfs/dbraw/zinc/88/20/64/995882064.db2.gz IZECILPQDKEYCJ-HMXCVIKNSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H](NCc1ccc(CC(N)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679289008 1015985890 /nfs/dbraw/zinc/98/58/90/1015985890.db2.gz JBKJYCMCHOZAIA-DYESRHJHSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@@H](NCc1ccc(CC(N)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679289008 1015985897 /nfs/dbraw/zinc/98/58/97/1015985897.db2.gz JBKJYCMCHOZAIA-DYESRHJHSA-N 1 3 351.494 2.715 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000679289008 1015985903 /nfs/dbraw/zinc/98/59/03/1015985903.db2.gz JBKJYCMCHOZAIA-DYESRHJHSA-N 1 3 351.494 2.715 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084338323 996468094 /nfs/dbraw/zinc/46/80/94/996468094.db2.gz NLRQBLQSILFRLZ-NJDAHSKKSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338323 996468098 /nfs/dbraw/zinc/46/80/98/996468098.db2.gz NLRQBLQSILFRLZ-NJDAHSKKSA-N 1 3 355.526 2.901 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C)C[C@H]32)CC[N@@H+]1C ZINC001084357031 996484669 /nfs/dbraw/zinc/48/46/69/996484669.db2.gz CVXNGIWZNKNPSE-PLACYPQZSA-N 1 3 355.526 2.758 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4C)C[C@H]32)CC[N@H+]1C ZINC001084357031 996484672 /nfs/dbraw/zinc/48/46/72/996484672.db2.gz CVXNGIWZNKNPSE-PLACYPQZSA-N 1 3 355.526 2.758 20 0 FFADHO CC[C@@H](CN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1)OC ZINC001084470662 996581569 /nfs/dbraw/zinc/58/15/69/996581569.db2.gz REFPZTZVALTTNX-NZSAHSFTSA-N 1 3 365.562 2.597 20 0 FFADHO CC[C@@H](CN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1)OC ZINC001084470662 996581574 /nfs/dbraw/zinc/58/15/74/996581574.db2.gz REFPZTZVALTTNX-NZSAHSFTSA-N 1 3 365.562 2.597 20 0 FFADHO Cc1cccc(C)c1CN1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084483643 996603665 /nfs/dbraw/zinc/60/36/65/996603665.db2.gz NDSXKKVDNUFTKK-TZIWHRDSSA-N 1 3 367.537 2.965 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001084629188 996743402 /nfs/dbraw/zinc/74/34/02/996743402.db2.gz JIZYFWFWSIVWGQ-NHCUHLMSSA-N 1 3 355.526 2.624 20 0 FFADHO COCCN(C)Cc1ccnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1 ZINC001171094616 997484735 /nfs/dbraw/zinc/48/47/35/997484735.db2.gz IHRRIVICLPHBBP-KRWDZBQOSA-N 1 3 364.493 2.920 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccccc3CC[NH2+]C)cc2)CC1 ZINC000844191634 997700835 /nfs/dbraw/zinc/70/08/35/997700835.db2.gz NKTRWWKXRMQMFB-UHFFFAOYSA-N 1 3 366.509 2.843 20 0 FFADHO CC[C@@H](C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)N(CC)CC ZINC000844163926 997706567 /nfs/dbraw/zinc/70/65/67/997706567.db2.gz PJEKPOJNVZZPJX-QAPCUYQASA-N 1 3 361.486 2.654 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3CC[N@H+](CCC4CC4)[C@H]3C2)C1 ZINC001085033122 998724654 /nfs/dbraw/zinc/72/46/54/998724654.db2.gz ROKUMYSXTNHMPW-LQWHRVPQSA-N 1 3 365.537 2.922 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3CC[N@@H+](CCC4CC4)[C@H]3C2)C1 ZINC001085033122 998724656 /nfs/dbraw/zinc/72/46/56/998724656.db2.gz ROKUMYSXTNHMPW-LQWHRVPQSA-N 1 3 365.537 2.922 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001085072473 998853559 /nfs/dbraw/zinc/85/35/59/998853559.db2.gz BULVWRDFTGHRCD-QRVBRYPASA-N 1 3 353.526 2.923 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001085072473 998853562 /nfs/dbraw/zinc/85/35/62/998853562.db2.gz BULVWRDFTGHRCD-QRVBRYPASA-N 1 3 353.526 2.923 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100670 998946177 /nfs/dbraw/zinc/94/61/77/998946177.db2.gz VWCOEVCZCBJQKE-CTNGQTDRSA-N 1 3 370.541 2.689 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001085217516 999184566 /nfs/dbraw/zinc/18/45/66/999184566.db2.gz DYMMKALQBCHERE-ZACQAIPSSA-N 1 3 357.489 2.923 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1)N1CCCC1 ZINC001085295794 999312940 /nfs/dbraw/zinc/31/29/40/999312940.db2.gz ZSPSZMKOPPFOLG-HZPDHXFCSA-N 1 3 350.532 2.535 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CNCc2ccc(OCC(F)(F)F)cc2)cnn1C ZINC000903922616 1016307325 /nfs/dbraw/zinc/30/73/25/1016307325.db2.gz ASKFDTPNMLHFSO-HNNXBMFYSA-N 1 3 370.419 2.577 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(Cl)n2)C1 ZINC001085332922 999379475 /nfs/dbraw/zinc/37/94/75/999379475.db2.gz RSUMCSFGCQJSMT-DJIMGWMZSA-N 1 3 364.921 2.594 20 0 FFADHO COc1ccc(C[C@H]2CCCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903932802 1016312822 /nfs/dbraw/zinc/31/28/22/1016312822.db2.gz VYJDKZWKKPCKBN-RTBURBONSA-N 1 3 369.513 2.808 20 0 FFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1)N1CCCCCC1 ZINC001085352420 999406793 /nfs/dbraw/zinc/40/67/93/999406793.db2.gz GRIXBERXTHAJBT-DFQSSKMNSA-N 1 3 365.562 2.695 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2F)C1 ZINC001085393814 999454739 /nfs/dbraw/zinc/45/47/39/999454739.db2.gz LKTRXPIHOREUIF-BMGDILEWSA-N 1 3 365.468 2.824 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(F)c2F)C1 ZINC001085393814 999454744 /nfs/dbraw/zinc/45/47/44/999454744.db2.gz LKTRXPIHOREUIF-BMGDILEWSA-N 1 3 365.468 2.824 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2sccc2Cl)C1 ZINC001085421913 999496509 /nfs/dbraw/zinc/49/65/09/999496509.db2.gz AXASJGLBXXZHKH-NWANDNLSSA-N 1 3 355.935 2.870 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2sccc2Cl)C1 ZINC001085421913 999496511 /nfs/dbraw/zinc/49/65/11/999496511.db2.gz AXASJGLBXXZHKH-NWANDNLSSA-N 1 3 355.935 2.870 20 0 FFADHO Cc1ccccc1CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085606703 999588230 /nfs/dbraw/zinc/58/82/30/999588230.db2.gz VFEPPIZQPYXSGX-HMXCVIKNSA-N 1 3 357.542 2.801 20 0 FFADHO Cc1ccccc1CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085606703 999588234 /nfs/dbraw/zinc/58/82/34/999588234.db2.gz VFEPPIZQPYXSGX-HMXCVIKNSA-N 1 3 357.542 2.801 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCOCC2)c1 ZINC001096604037 1016340942 /nfs/dbraw/zinc/34/09/42/1016340942.db2.gz FFBVBBITRMFCKB-HKBOAZHASA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCOCC2)c1 ZINC001096604037 1016340953 /nfs/dbraw/zinc/34/09/53/1016340953.db2.gz FFBVBBITRMFCKB-HKBOAZHASA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC[C@@H]2CCOC2)c1 ZINC001096604403 1016341232 /nfs/dbraw/zinc/34/12/32/1016341232.db2.gz HDWQEBQJTQPPRH-DBOLQNLKSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC[C@@H]2CCOC2)c1 ZINC001096604403 1016341244 /nfs/dbraw/zinc/34/12/44/1016341244.db2.gz HDWQEBQJTQPPRH-DBOLQNLKSA-N 1 3 371.525 2.510 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000742186477 999763472 /nfs/dbraw/zinc/76/34/72/999763472.db2.gz BSJPBLODTYWBLE-SFHVURJKSA-N 1 3 359.489 2.734 20 0 FFADHO COc1ccc(CN2CC[C@H](N(C)CCC[NH+]3CCCC3)CC2=O)cc1 ZINC001168938685 1000010274 /nfs/dbraw/zinc/01/02/74/1000010274.db2.gz DKUWJCNAWXRHRK-IBGZPJMESA-N 1 3 359.514 2.604 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001109361494 1000312961 /nfs/dbraw/zinc/31/29/61/1000312961.db2.gz YFLXVPMXQUPEJV-BGTYHANMSA-N 1 3 367.534 2.692 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001109361494 1000312967 /nfs/dbraw/zinc/31/29/67/1000312967.db2.gz YFLXVPMXQUPEJV-BGTYHANMSA-N 1 3 367.534 2.692 20 0 FFADHO CC(=O)N1CCC(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000770352552 1000766399 /nfs/dbraw/zinc/76/63/99/1000766399.db2.gz OYKMCDIJDYDOIX-IRLDBZIGSA-N 1 3 355.526 2.984 20 0 FFADHO CC(=O)N1CCC(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000770352552 1000766406 /nfs/dbraw/zinc/76/64/06/1000766406.db2.gz OYKMCDIJDYDOIX-IRLDBZIGSA-N 1 3 355.526 2.984 20 0 FFADHO COc1ccc(Cl)c2c1C[C@H]([NH2+]CCN1CCN(C(C)C)CC1)CC2 ZINC001171290396 1000782757 /nfs/dbraw/zinc/78/27/57/1000782757.db2.gz XPAOFXFMQQDMOS-MRXNPFEDSA-N 1 3 365.949 2.822 20 0 FFADHO O=C(NCCc1c[nH]c2ccncc12)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147975569 1001010971 /nfs/dbraw/zinc/01/09/71/1001010971.db2.gz KLGBTMSKTRGMGD-UHFFFAOYSA-N 1 3 363.465 2.569 20 0 FFADHO COCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)cc1 ZINC001110006013 1001280070 /nfs/dbraw/zinc/28/00/70/1001280070.db2.gz QRUGBBQEIPPJGG-HKBOAZHASA-N 1 3 373.541 2.786 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C[C@@H]2C)CCN(Cc2ccccn2)CC3)CC[N@@H+]1C ZINC001086924551 1001332824 /nfs/dbraw/zinc/33/28/24/1001332824.db2.gz VLKNSMPZKUPOEE-NLWGTHIKSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC3(C[C@@H]2C)CCN(Cc2ccccn2)CC3)CC[N@H+]1C ZINC001086924551 1001332829 /nfs/dbraw/zinc/33/28/29/1001332829.db2.gz VLKNSMPZKUPOEE-NLWGTHIKSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCN(Cc1ccccn1)CC2 ZINC001086924552 1001333344 /nfs/dbraw/zinc/33/33/44/1001333344.db2.gz VLKNSMPZKUPOEE-QWFCFKBJSA-N 1 3 370.541 2.625 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCN(Cc1ccccn1)CC2 ZINC001086924552 1001333346 /nfs/dbraw/zinc/33/33/46/1001333346.db2.gz VLKNSMPZKUPOEE-QWFCFKBJSA-N 1 3 370.541 2.625 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001112567522 1001498459 /nfs/dbraw/zinc/49/84/59/1001498459.db2.gz UQLQZDPWYRUFSJ-RXVVDRJESA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112585945 1001537524 /nfs/dbraw/zinc/53/75/24/1001537524.db2.gz APFVGPSHBNOHPG-FPOVZHCZSA-N 1 3 367.578 2.608 20 0 FFADHO CCO[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001087089278 1001765969 /nfs/dbraw/zinc/76/59/69/1001765969.db2.gz IRGXOMXHDBBKHE-DFQSSKMNSA-N 1 3 365.562 2.504 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001182433460 1001864239 /nfs/dbraw/zinc/86/42/39/1001864239.db2.gz GXXHRESQHXXABZ-PXNSSMCTSA-N 1 3 361.530 2.973 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCc3ccc(C)cc3)C[C@@]2(C)C1)N(C)C ZINC001091780574 1001906144 /nfs/dbraw/zinc/90/61/44/1001906144.db2.gz QPBYPECNOXAEJE-SJBKTWHCSA-N 1 3 357.542 2.658 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@@]2(C)C1)N(C)C ZINC001091780574 1001906151 /nfs/dbraw/zinc/90/61/51/1001906151.db2.gz QPBYPECNOXAEJE-SJBKTWHCSA-N 1 3 357.542 2.658 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985500 1002178993 /nfs/dbraw/zinc/17/89/93/1002178993.db2.gz VNNQKWFHSCKAKY-SJBKTWHCSA-N 1 3 357.542 2.862 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985500 1002178997 /nfs/dbraw/zinc/17/89/97/1002178997.db2.gz VNNQKWFHSCKAKY-SJBKTWHCSA-N 1 3 357.542 2.862 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001183361999 1002238679 /nfs/dbraw/zinc/23/86/79/1002238679.db2.gz CCSACPUQDPBKML-PWRODBHTSA-N 1 3 357.542 2.943 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001183361999 1002238691 /nfs/dbraw/zinc/23/86/91/1002238691.db2.gz CCSACPUQDPBKML-PWRODBHTSA-N 1 3 357.542 2.943 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+])N(C)C ZINC001183365720 1002250509 /nfs/dbraw/zinc/25/05/09/1002250509.db2.gz MAKLTAJLKNBTJM-TYRYEOGQSA-N 1 3 363.505 2.676 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092012973 1002285548 /nfs/dbraw/zinc/28/55/48/1002285548.db2.gz FMDXKJVWPVRQGV-AAIMPIBUSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092012973 1002285558 /nfs/dbraw/zinc/28/55/58/1002285558.db2.gz FMDXKJVWPVRQGV-AAIMPIBUSA-N 1 3 369.553 2.871 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c(C)c1 ZINC001092049402 1002398056 /nfs/dbraw/zinc/39/80/56/1002398056.db2.gz CLRKMINKUSCWDV-NQIIRXRSSA-N 1 3 352.482 2.550 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c(C)c1 ZINC001092049402 1002398068 /nfs/dbraw/zinc/39/80/68/1002398068.db2.gz CLRKMINKUSCWDV-NQIIRXRSSA-N 1 3 352.482 2.550 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC001086587970 1002398925 /nfs/dbraw/zinc/39/89/25/1002398925.db2.gz WZUVFABKSVVCTO-HBMCJLEFSA-N 1 3 355.526 2.853 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC001086587970 1002398936 /nfs/dbraw/zinc/39/89/36/1002398936.db2.gz WZUVFABKSVVCTO-HBMCJLEFSA-N 1 3 355.526 2.853 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001092302238 1002632972 /nfs/dbraw/zinc/63/29/72/1002632972.db2.gz UVDKUOQFPDETPM-XPNTWCBSSA-N 1 3 369.553 2.884 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001092302238 1002632977 /nfs/dbraw/zinc/63/29/77/1002632977.db2.gz UVDKUOQFPDETPM-XPNTWCBSSA-N 1 3 369.553 2.884 20 0 FFADHO CC(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001086597506 1002663044 /nfs/dbraw/zinc/66/30/44/1002663044.db2.gz JASYJHSILIZLAL-VQTJNVASSA-N 1 3 355.526 2.855 20 0 FFADHO CC(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001086597506 1002663052 /nfs/dbraw/zinc/66/30/52/1002663052.db2.gz JASYJHSILIZLAL-VQTJNVASSA-N 1 3 355.526 2.855 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)c3cccc(C[NH3+])c3)cc2)CC1 ZINC000827024765 1016724291 /nfs/dbraw/zinc/72/42/91/1016724291.db2.gz XBEHAGHJCIJPBA-UHFFFAOYSA-N 1 3 352.482 2.535 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)Cc1ccccc1 ZINC000793329985 1003340063 /nfs/dbraw/zinc/34/00/63/1003340063.db2.gz STYNUXDYEHIAON-SFHVURJKSA-N 1 3 367.484 2.739 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001092658161 1003362463 /nfs/dbraw/zinc/36/24/63/1003362463.db2.gz JZGCOUAQWDUXAO-LMMKCTJWSA-N 1 3 363.571 2.849 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001092658161 1003362470 /nfs/dbraw/zinc/36/24/70/1003362470.db2.gz JZGCOUAQWDUXAO-LMMKCTJWSA-N 1 3 363.571 2.849 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC001001422406 1016798529 /nfs/dbraw/zinc/79/85/29/1016798529.db2.gz OSWLLWFJMMNOKR-AZUAARDMSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3ccccc3F)CC2)CC[N@H+]1C ZINC001001422406 1016798541 /nfs/dbraw/zinc/79/85/41/1016798541.db2.gz OSWLLWFJMMNOKR-AZUAARDMSA-N 1 3 361.505 2.884 20 0 FFADHO CNC(=O)c1ccc(CN(C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000678127000 1016805012 /nfs/dbraw/zinc/80/50/12/1016805012.db2.gz GZGAHPUVBYYELF-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001196790162 1003956120 /nfs/dbraw/zinc/95/61/20/1003956120.db2.gz RHXSINFOVBQJOT-LJQANCHMSA-N 1 3 357.542 2.850 20 0 FFADHO C[C@@H]1CCN(Cc2ccc(O)cc2I)CC[C@@H]1C[NH3+] ZINC001205638082 1004514165 /nfs/dbraw/zinc/51/41/65/1004514165.db2.gz LCRSALVNJLDNOY-VXGBXAGGSA-N 1 3 374.266 2.804 20 0 FFADHO CCCCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740357 1004719045 /nfs/dbraw/zinc/71/90/45/1004719045.db2.gz CWGYZAIJAGBAAO-IPMKNSEASA-N 1 3 361.530 2.973 20 0 FFADHO CCCCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740357 1004719049 /nfs/dbraw/zinc/71/90/49/1004719049.db2.gz CWGYZAIJAGBAAO-IPMKNSEASA-N 1 3 361.530 2.973 20 0 FFADHO C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](CNCc2ccns2)C1 ZINC001489055813 1005400239 /nfs/dbraw/zinc/40/02/39/1005400239.db2.gz HOKQXLCHPRFYNF-SJORKVTESA-N 1 3 364.559 2.736 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1cccc(OC)c1 ZINC001489127910 1005415803 /nfs/dbraw/zinc/41/58/03/1005415803.db2.gz ACWQMGJHWVCFSZ-RBUKOAKNSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1CCc1ccns1 ZINC001489147096 1005423489 /nfs/dbraw/zinc/42/34/89/1005423489.db2.gz FYABHJCLSRGWEO-ZWKOTPCHSA-N 1 3 364.559 2.531 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCC(F)(F)C1)C12CCC[NH+]1CCC2 ZINC001095684423 1016986341 /nfs/dbraw/zinc/98/63/41/1016986341.db2.gz DJFAQJXBAOLTKY-NCOADZHNSA-N 1 3 367.484 2.772 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC001086712187 1005966870 /nfs/dbraw/zinc/96/68/70/1005966870.db2.gz UKMCOMRGUGVYJA-BBWFWOEESA-N 1 3 364.559 2.700 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001187321925 1006012183 /nfs/dbraw/zinc/01/21/83/1006012183.db2.gz IOSCOTQKEZFIJX-AOIWGVFYSA-N 1 3 365.468 2.568 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001097085833 1017013544 /nfs/dbraw/zinc/01/35/44/1017013544.db2.gz QNBCGVXVPXDSTI-WTGUMLROSA-N 1 3 373.566 2.744 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]21 ZINC001188107069 1006413707 /nfs/dbraw/zinc/41/37/07/1006413707.db2.gz GOUHUSXOWOKGAG-SLFFLAALSA-N 1 3 361.505 2.708 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]21 ZINC001188107069 1006413713 /nfs/dbraw/zinc/41/37/13/1006413713.db2.gz GOUHUSXOWOKGAG-SLFFLAALSA-N 1 3 361.505 2.708 20 0 FFADHO C[C@@H]1CN(C[C@H](O)c2cccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000815077814 1006510201 /nfs/dbraw/zinc/51/02/01/1006510201.db2.gz DXRRWFJSIKSDOJ-YSZBQJHXSA-N 1 3 367.537 2.831 20 0 FFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCCc3ccccc3Cl)C[C@H]21 ZINC001189055685 1006874729 /nfs/dbraw/zinc/87/47/29/1006874729.db2.gz ZIOPKVXBRBYYQC-PKOBYXMFSA-N 1 3 363.933 2.757 20 0 FFADHO c1cc(CN2CCOCC3(CC[NH+]([C@H]4CCCOCC4)CC3)C2)ccn1 ZINC001170819826 1006998089 /nfs/dbraw/zinc/99/80/89/1006998089.db2.gz HMHSLQLSQFMSGS-FQEVSTJZSA-N 1 3 359.514 2.565 20 0 FFADHO COc1ccc2oc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c2c1 ZINC000855345688 1007295357 /nfs/dbraw/zinc/29/53/57/1007295357.db2.gz GIBLGRVZRSUOKV-AWEZNQCLSA-N 1 3 361.486 2.752 20 0 FFADHO COc1ccc2oc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c2c1 ZINC000855345688 1007295361 /nfs/dbraw/zinc/29/53/61/1007295361.db2.gz GIBLGRVZRSUOKV-AWEZNQCLSA-N 1 3 361.486 2.752 20 0 FFADHO CCCCC[C@H](C)NC(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817286283 1007509136 /nfs/dbraw/zinc/50/91/36/1007509136.db2.gz HSVWARSPJUDMNG-IBGZPJMESA-N 1 3 366.594 2.563 20 0 FFADHO CCCCC[C@H](C)NC(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817286283 1007509143 /nfs/dbraw/zinc/50/91/43/1007509143.db2.gz HSVWARSPJUDMNG-IBGZPJMESA-N 1 3 366.594 2.563 20 0 FFADHO CCCCOCCN1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213105 1007527312 /nfs/dbraw/zinc/52/73/12/1007527312.db2.gz WQGSWBYLFSDQIC-VQTJNVASSA-N 1 3 365.562 2.602 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cn3cc(-c4ccccc4)cn3)CC2)CC1 ZINC000817372050 1007565281 /nfs/dbraw/zinc/56/52/81/1007565281.db2.gz FLMWXQLGKLXWAO-UHFFFAOYSA-N 1 3 367.541 3.000 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)ccc1OC ZINC000775412821 1007784878 /nfs/dbraw/zinc/78/48/78/1007784878.db2.gz XJDQYRSMZXFFIH-UZLBHIALSA-N 1 3 364.530 2.975 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000817928780 1007798385 /nfs/dbraw/zinc/79/83/85/1007798385.db2.gz ANLUZMPOTJTGPW-ONOODXEBSA-N 1 3 352.482 2.719 20 0 FFADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(N2CCOC2=O)cc1 ZINC000817939965 1007817646 /nfs/dbraw/zinc/81/76/46/1007817646.db2.gz IRZPXVBNKXXZPC-MRXNPFEDSA-N 1 3 354.454 2.869 20 0 FFADHO CC(C)[NH+]1CCC(NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818940901 1007985510 /nfs/dbraw/zinc/98/55/10/1007985510.db2.gz JQDYHSDOVGHPBS-FQEVSTJZSA-N 1 3 369.550 2.601 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1cccc(F)c1 ZINC000819372174 1008124752 /nfs/dbraw/zinc/12/47/52/1008124752.db2.gz WSESRJZYKOYIKZ-CEMLEFRQSA-N 1 3 372.484 2.986 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1cccc(F)c1 ZINC000819372174 1008124758 /nfs/dbraw/zinc/12/47/58/1008124758.db2.gz WSESRJZYKOYIKZ-CEMLEFRQSA-N 1 3 372.484 2.986 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1ccc(F)cc1 ZINC000819371029 1008125178 /nfs/dbraw/zinc/12/51/78/1008125178.db2.gz GWQLHFJHPSLVIZ-CEMLEFRQSA-N 1 3 372.484 2.986 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1ccc(F)cc1 ZINC000819371029 1008125185 /nfs/dbraw/zinc/12/51/85/1008125185.db2.gz GWQLHFJHPSLVIZ-CEMLEFRQSA-N 1 3 372.484 2.986 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccc(C)cc1 ZINC001110736647 1008214361 /nfs/dbraw/zinc/21/43/61/1008214361.db2.gz GQGWOOQPRCHMAA-AQNXPRMDSA-N 1 3 357.542 2.989 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccc(C)cc1 ZINC001110736647 1008214366 /nfs/dbraw/zinc/21/43/66/1008214366.db2.gz GQGWOOQPRCHMAA-AQNXPRMDSA-N 1 3 357.542 2.989 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(C)cc1 ZINC001110736647 1008214369 /nfs/dbraw/zinc/21/43/69/1008214369.db2.gz GQGWOOQPRCHMAA-AQNXPRMDSA-N 1 3 357.542 2.989 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(C)cc1 ZINC001110736647 1008214373 /nfs/dbraw/zinc/21/43/73/1008214373.db2.gz GQGWOOQPRCHMAA-AQNXPRMDSA-N 1 3 357.542 2.989 20 0 FFADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)COCC1CC1 ZINC000820809031 1008374116 /nfs/dbraw/zinc/37/41/16/1008374116.db2.gz SAFQWLMYLCSEPZ-LQCXBHPOSA-N 1 3 358.526 2.949 20 0 FFADHO O[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCC1CC1 ZINC000820809031 1008374118 /nfs/dbraw/zinc/37/41/18/1008374118.db2.gz SAFQWLMYLCSEPZ-LQCXBHPOSA-N 1 3 358.526 2.949 20 0 FFADHO C[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CCN(C2CC2)C1 ZINC000820875217 1008387624 /nfs/dbraw/zinc/38/76/24/1008387624.db2.gz YXWWWCDMMTZMLG-SFHVURJKSA-N 1 3 373.541 2.502 20 0 FFADHO CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCN(CCc2ccccn2)CC1 ZINC001136566069 1008554578 /nfs/dbraw/zinc/55/45/78/1008554578.db2.gz VIGDBKDLJNLIIS-NQIIRXRSSA-N 1 3 372.557 2.667 20 0 FFADHO Cn1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c(-c2ccccc2)n1 ZINC001178169749 1008911286 /nfs/dbraw/zinc/91/12/86/1008911286.db2.gz AOULBXGXPXVYFO-WOJBJXKFSA-N 1 3 354.498 2.555 20 0 FFADHO CC(C)n1ccc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001178523363 1009019087 /nfs/dbraw/zinc/01/90/87/1009019087.db2.gz WYBISSKKMQECEJ-IEBWSBKVSA-N 1 3 363.550 2.570 20 0 FFADHO CC(C)n1ccc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001178523363 1009019104 /nfs/dbraw/zinc/01/91/04/1009019104.db2.gz WYBISSKKMQECEJ-IEBWSBKVSA-N 1 3 363.550 2.570 20 0 FFADHO CC(C)(C)[NH2+]CCC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001179304521 1009302798 /nfs/dbraw/zinc/30/27/98/1009302798.db2.gz SANMQDWTGSPANN-UHFFFAOYSA-N 1 3 361.530 2.516 20 0 FFADHO Cc1ccc2c(c1)CC[C@H]2N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000777261594 1009858644 /nfs/dbraw/zinc/85/86/44/1009858644.db2.gz QLFHAVGCWNGOCY-YADHBBJMSA-N 1 3 365.521 2.861 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNCc2nc(C)cs2)[C@H](C)C1 ZINC001093805873 1010582241 /nfs/dbraw/zinc/58/22/41/1010582241.db2.gz LGTFUBGJKLBSDR-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](CNCc2nc(C)cs2)[C@H](C)C1 ZINC001093805873 1010582256 /nfs/dbraw/zinc/58/22/56/1010582256.db2.gz LGTFUBGJKLBSDR-DJIMGWMZSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)[C@H](C)C1)N(C)C ZINC001093857775 1010633401 /nfs/dbraw/zinc/63/34/01/1010633401.db2.gz XQAFMMFNCMSGPL-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccncc2Cl)[C@H](C)C1)N(C)C ZINC001094020920 1010787072 /nfs/dbraw/zinc/78/70/72/1010787072.db2.gz MZBRCXVWOYBOSR-QGPMSJSTSA-N 1 3 366.937 2.505 20 0 FFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1 ZINC001094040428 1010802247 /nfs/dbraw/zinc/80/22/47/1010802247.db2.gz ISEBTOUSJKFTSK-SFHLNBCPSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001094041032 1010803186 /nfs/dbraw/zinc/80/31/86/1010803186.db2.gz UTAIJEYPBJWELM-HSALFYBXSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001094042111 1010803729 /nfs/dbraw/zinc/80/37/29/1010803729.db2.gz JUBDWJIBYMDITA-ZHALLVOQSA-N 1 3 361.505 2.660 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(CF)cc3)[C@H](C)C2)C1 ZINC001094042314 1010805236 /nfs/dbraw/zinc/80/52/36/1010805236.db2.gz RLUMCJAYWQLCJU-MBOZVWFJSA-N 1 3 361.505 2.682 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001094042733 1010805476 /nfs/dbraw/zinc/80/54/76/1010805476.db2.gz YRLUTYCIRHHRHR-NSISKUIASA-N 1 3 357.542 2.829 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1sccc1Cl ZINC001094074495 1010833755 /nfs/dbraw/zinc/83/37/55/1010833755.db2.gz DBKJHNLUNMTNCU-VXGBXAGGSA-N 1 3 352.891 2.551 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000866667514 1011034536 /nfs/dbraw/zinc/03/45/36/1011034536.db2.gz OOIUQQPNCAHBFH-CUDHKJQZSA-N 1 3 359.514 2.930 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000866667515 1011034833 /nfs/dbraw/zinc/03/48/33/1011034833.db2.gz OOIUQQPNCAHBFH-ONCXSQPRSA-N 1 3 359.514 2.930 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2)C12CCC[NH+]1CCC2 ZINC001094458659 1011147075 /nfs/dbraw/zinc/14/70/75/1011147075.db2.gz RKZWYTQYHCAQAB-IYWCZBAPSA-N 1 3 351.922 2.728 20 0 FFADHO CN1C(C)(C)CC([N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)CC1(C)C ZINC001171640831 1011422897 /nfs/dbraw/zinc/42/28/97/1011422897.db2.gz JUENCHXQNSKXQC-LSDHHAIUSA-N 1 3 369.550 2.598 20 0 FFADHO CN1C(C)(C)CC([N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)CC1(C)C ZINC001171640831 1011422905 /nfs/dbraw/zinc/42/29/05/1011422905.db2.gz JUENCHXQNSKXQC-LSDHHAIUSA-N 1 3 369.550 2.598 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CNCc2ccccc21)Cc1ccccc1 ZINC000645421491 1011478623 /nfs/dbraw/zinc/47/86/23/1011478623.db2.gz JZVWOIHIBDCKPG-UNMCSNQZSA-N 1 3 365.521 2.943 20 0 FFADHO CNC(=O)NC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171986107 1011580912 /nfs/dbraw/zinc/58/09/12/1011580912.db2.gz FDBCPDCVWHFNMW-LJQANCHMSA-N 1 3 358.530 2.823 20 0 FFADHO CNC(=O)NC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171986107 1011580925 /nfs/dbraw/zinc/58/09/25/1011580925.db2.gz FDBCPDCVWHFNMW-LJQANCHMSA-N 1 3 358.530 2.823 20 0 FFADHO CN1CCC(CO)([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172072074 1011609842 /nfs/dbraw/zinc/60/98/42/1011609842.db2.gz BOTNNBOANIIKHH-WKCHPHFGSA-N 1 3 357.542 2.618 20 0 FFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172062500 1011625624 /nfs/dbraw/zinc/62/56/24/1011625624.db2.gz OQSUGDWKUFBKOY-KGWSWXIGSA-N 1 3 353.510 2.783 20 0 FFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172062500 1011625627 /nfs/dbraw/zinc/62/56/27/1011625627.db2.gz OQSUGDWKUFBKOY-KGWSWXIGSA-N 1 3 353.510 2.783 20 0 FFADHO CN(C)C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001172067132 1011629189 /nfs/dbraw/zinc/62/91/89/1011629189.db2.gz AXBATHQVOVZLCO-CLAROIROSA-N 1 3 357.542 2.835 20 0 FFADHO CN(C)C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172067132 1011629200 /nfs/dbraw/zinc/62/92/00/1011629200.db2.gz AXBATHQVOVZLCO-CLAROIROSA-N 1 3 357.542 2.835 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172101524 1011638207 /nfs/dbraw/zinc/63/82/07/1011638207.db2.gz ZEXOUONZKILFBW-OAFZBRQQSA-N 1 3 355.498 2.940 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172114262 1011642744 /nfs/dbraw/zinc/64/27/44/1011642744.db2.gz MSHXXLXWXRXQAS-XMTFNYHQSA-N 1 3 367.534 2.617 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172114262 1011642750 /nfs/dbraw/zinc/64/27/50/1011642750.db2.gz MSHXXLXWXRXQAS-XMTFNYHQSA-N 1 3 367.534 2.617 20 0 FFADHO O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)CCN12 ZINC001172148010 1011664505 /nfs/dbraw/zinc/66/45/05/1011664505.db2.gz UHPXANGVCLLQPB-SSSFQFABSA-N 1 3 353.510 2.640 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000646256304 1011820580 /nfs/dbraw/zinc/82/05/80/1011820580.db2.gz ZTSXZBQRCJQDGN-RTBURBONSA-N 1 3 367.497 2.577 20 0 FFADHO COC(=O)[C@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccc(OC)cc3)CC2)C1 ZINC001172603306 1011878499 /nfs/dbraw/zinc/87/84/99/1011878499.db2.gz KDWDDHDYYCZKDZ-ROUUACIJSA-N 1 3 360.498 2.763 20 0 FFADHO Cc1cc(Cl)ccc1CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001275075385 1011893052 /nfs/dbraw/zinc/89/30/52/1011893052.db2.gz RZESNVVOOGFROS-GOSISDBHSA-N 1 3 363.933 2.928 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542148 1012020998 /nfs/dbraw/zinc/02/09/98/1012020998.db2.gz YEVXSWIDVINELQ-UXHICEINSA-N 1 3 358.530 2.852 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1)[NH+](C)C ZINC001275222726 1012099997 /nfs/dbraw/zinc/09/99/97/1012099997.db2.gz JOAGJDFWXUCNSJ-TZIWHRDSSA-N 1 3 360.546 2.806 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001173078767 1012247632 /nfs/dbraw/zinc/24/76/32/1012247632.db2.gz NNSXZMQITOLXKS-OAHLLOKOSA-N 1 3 359.436 2.695 20 0 FFADHO CNC(=O)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647351252 1012448595 /nfs/dbraw/zinc/44/85/95/1012448595.db2.gz RNYIPKMTDFNUMV-KMFMINBZSA-N 1 3 371.447 2.682 20 0 FFADHO CNC(=O)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647351252 1012448603 /nfs/dbraw/zinc/44/86/03/1012448603.db2.gz RNYIPKMTDFNUMV-KMFMINBZSA-N 1 3 371.447 2.682 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(Cc1cccc(C(F)F)c1)CC2 ZINC001275464464 1012492365 /nfs/dbraw/zinc/49/23/65/1012492365.db2.gz HLEIJGSVCHPBDE-QGZVFWFLSA-N 1 3 365.468 2.904 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CC[C@H]([NH3+])CC3)CC2)c1 ZINC000870865350 1012610195 /nfs/dbraw/zinc/61/01/95/1012610195.db2.gz PSWSUPXCBUVGOB-MXVIHJGJSA-N 1 3 372.557 2.531 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N[C@H]1CCCc2ccccc21 ZINC000647975185 1012650453 /nfs/dbraw/zinc/65/04/53/1012650453.db2.gz PBCXDRUBCDKLQX-ZJOUEHCJSA-N 1 3 355.526 2.892 20 0 FFADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000870990328 1012669984 /nfs/dbraw/zinc/66/99/84/1012669984.db2.gz DPEVFZBRUHRCSH-GHTZIAJQSA-N 1 3 358.530 2.517 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN2Cc2ccc3ccccc3c2)C1=O ZINC001275603415 1012678289 /nfs/dbraw/zinc/67/82/89/1012678289.db2.gz UJIRVERGEZPWKM-JOCHJYFZSA-N 1 3 351.494 2.968 20 0 FFADHO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001173630186 1012807285 /nfs/dbraw/zinc/80/72/85/1012807285.db2.gz GFZPXSIZOTUQER-PKOBYXMFSA-N 1 3 352.519 2.589 20 0 FFADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451165 1017590938 /nfs/dbraw/zinc/59/09/38/1017590938.db2.gz QFYSDNMQTBGCQE-AQNXPRMDSA-N 1 3 359.514 2.510 20 0 FFADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001111451165 1017590942 /nfs/dbraw/zinc/59/09/42/1017590942.db2.gz QFYSDNMQTBGCQE-AQNXPRMDSA-N 1 3 359.514 2.510 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1Cn1cccn1 ZINC000925785365 1017846308 /nfs/dbraw/zinc/84/63/08/1017846308.db2.gz UGIICICCFYZHMQ-YOEHRIQHSA-N 1 3 364.440 2.835 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1Cn1cccn1 ZINC000925785348 1017846986 /nfs/dbraw/zinc/84/69/86/1017846986.db2.gz UGIICICCFYZHMQ-PBHICJAKSA-N 1 3 364.440 2.835 20 0 FFADHO Fc1cncc([C@H](NCc2ccc(CN3CC[NH2+]CC3)cc2)C2CC2)c1 ZINC000925816309 1017858565 /nfs/dbraw/zinc/85/85/65/1017858565.db2.gz HXZWMYOMMWWFNG-OAQYLSRUSA-N 1 3 354.473 2.867 20 0 FFADHO C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCOCC1)c1cnccc1N ZINC000925832692 1017862444 /nfs/dbraw/zinc/86/24/44/1017862444.db2.gz DJGNTRBQGBQHJB-KRWDZBQOSA-N 1 3 354.498 2.826 20 0 FFADHO C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)c1cnccc1N ZINC000925832692 1017862461 /nfs/dbraw/zinc/86/24/61/1017862461.db2.gz DJGNTRBQGBQHJB-KRWDZBQOSA-N 1 3 354.498 2.826 20 0 FFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925909499 1017894980 /nfs/dbraw/zinc/89/49/80/1017894980.db2.gz HXWPKBIEZBAJAG-VAMGGRTRSA-N 1 3 373.545 2.733 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(CC[NH2+]C)C(C)C)c(C)c2)CC1 ZINC000925916956 1017901662 /nfs/dbraw/zinc/90/16/62/1017901662.db2.gz WERQZLTYZZNKFG-UHFFFAOYSA-N 1 3 361.534 2.599 20 0 FFADHO O[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C12CCOCC2 ZINC000927154539 1018382320 /nfs/dbraw/zinc/38/23/20/1018382320.db2.gz RNVYZECOMIVCOX-UQVNRYHBSA-N 1 3 356.510 2.559 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3c(C)[nH]c4ccccc43)C[C@@H]1C[NH2+]CCC2 ZINC001222125347 1032769575 /nfs/dbraw/zinc/76/95/75/1032769575.db2.gz JSSXLGRHBNOIBW-KKSFZXQISA-N 1 3 355.482 2.841 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](Cc3c(C)[nH]c4ccccc43)C[C@@H]1CNCCC2 ZINC001222125347 1032769592 /nfs/dbraw/zinc/76/95/92/1032769592.db2.gz JSSXLGRHBNOIBW-KKSFZXQISA-N 1 3 355.482 2.841 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)[nH]c4ccccc43)C[C@@H]1CNCCC2 ZINC001222125347 1032769603 /nfs/dbraw/zinc/76/96/03/1032769603.db2.gz JSSXLGRHBNOIBW-KKSFZXQISA-N 1 3 355.482 2.841 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000681568537 1018534452 /nfs/dbraw/zinc/53/44/52/1018534452.db2.gz VSUXAHIYQUIYLY-AZUAARDMSA-N 1 3 358.530 2.807 20 0 FFADHO CCCNC(=O)C1(NCc2ccc(OCC[NH+](C)C)cc2)CCCCC1 ZINC000681750585 1018585229 /nfs/dbraw/zinc/58/52/29/1018585229.db2.gz AYCMQHJPCWCUQR-UHFFFAOYSA-N 1 3 361.530 2.946 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001110934820 1018710124 /nfs/dbraw/zinc/71/01/24/1018710124.db2.gz OFCCDDZIBXZDIL-WTGUMLROSA-N 1 3 365.562 2.645 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001110934820 1018710131 /nfs/dbraw/zinc/71/01/31/1018710131.db2.gz OFCCDDZIBXZDIL-WTGUMLROSA-N 1 3 365.562 2.645 20 0 FFADHO Cc1ccc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C3)cc1 ZINC001110994240 1020112416 /nfs/dbraw/zinc/11/24/16/1020112416.db2.gz USYRWPHZRMCGED-MXEMCNAFSA-N 1 3 357.542 2.845 20 0 FFADHO Cc1ccc(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C3)cc1 ZINC001110994240 1020112421 /nfs/dbraw/zinc/11/24/21/1020112421.db2.gz USYRWPHZRMCGED-MXEMCNAFSA-N 1 3 357.542 2.845 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001046330333 1020594460 /nfs/dbraw/zinc/59/44/60/1020594460.db2.gz ZZBVHQJOIBYHAD-FPDPHYFHSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001046330333 1020594466 /nfs/dbraw/zinc/59/44/66/1020594466.db2.gz ZZBVHQJOIBYHAD-FPDPHYFHSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3cc4ccccc4o3)C2)CC[N@@H+]1C ZINC001046331142 1020596870 /nfs/dbraw/zinc/59/68/70/1020596870.db2.gz FIJXXPVCURVBOJ-FQELHTAISA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3cc4ccccc4o3)C2)CC[N@H+]1C ZINC001046331142 1020596879 /nfs/dbraw/zinc/59/68/79/1020596879.db2.gz FIJXXPVCURVBOJ-FQELHTAISA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H](c1cccc(F)c1)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122798 1021865657 /nfs/dbraw/zinc/86/56/57/1021865657.db2.gz FSXRBLXBNJRFTD-ZJBJCVSYSA-N 1 3 371.500 2.953 20 0 FFADHO CCc1ccccc1CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014509185 1021885411 /nfs/dbraw/zinc/88/54/11/1021885411.db2.gz QEWYHFQKAKMIOE-PCCBWWKXSA-N 1 3 357.542 2.712 20 0 FFADHO CCc1ccccc1CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014509185 1021885430 /nfs/dbraw/zinc/88/54/30/1021885430.db2.gz QEWYHFQKAKMIOE-PCCBWWKXSA-N 1 3 357.542 2.712 20 0 FFADHO CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)CC1 ZINC001222520964 1033026542 /nfs/dbraw/zinc/02/65/42/1033026542.db2.gz LYJVTDNQJKSMFR-SIKLNZKXSA-N 1 3 357.542 2.871 20 0 FFADHO CC(C)=CCCC1=CC[C@H](C[N@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)CC1 ZINC001222520964 1033026551 /nfs/dbraw/zinc/02/65/51/1033026551.db2.gz LYJVTDNQJKSMFR-SIKLNZKXSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(Cc2cccc(F)c2)CC3)CC[N@@H+]1C ZINC001016632239 1022063162 /nfs/dbraw/zinc/06/31/62/1022063162.db2.gz PAILLYZUEQHGPE-LZQZEXGQSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(Cc2cccc(F)c2)CC3)CC[N@H+]1C ZINC001016632239 1022063176 /nfs/dbraw/zinc/06/31/76/1022063176.db2.gz PAILLYZUEQHGPE-LZQZEXGQSA-N 1 3 359.489 2.637 20 0 FFADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118197785 1022113414 /nfs/dbraw/zinc/11/34/14/1022113414.db2.gz CBRSINOSKRYUCZ-QGZVFWFLSA-N 1 3 368.525 2.681 20 0 FFADHO CC[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]CC2)N1CCc2ccccc2C1 ZINC001118201251 1022116633 /nfs/dbraw/zinc/11/66/33/1022116633.db2.gz UFZZLNBSZQYVLA-QFIPXVFZSA-N 1 3 363.505 2.899 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001099312989 1022276421 /nfs/dbraw/zinc/27/64/21/1022276421.db2.gz NGCRMBRUONKUKG-HUUCEWRRSA-N 1 3 358.408 2.511 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(F)(F)C2)C1)C1CC1 ZINC001099446713 1022538968 /nfs/dbraw/zinc/53/89/68/1022538968.db2.gz SCRNGBPJKZJKAV-LNLFQRSKSA-N 1 3 369.500 2.590 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc(N)ccn1 ZINC001119321569 1022682854 /nfs/dbraw/zinc/68/28/54/1022682854.db2.gz IOBZJYIADVHGFA-INIZCTEOSA-N 1 3 368.481 2.847 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cc(N)ccn1 ZINC001119321569 1022682862 /nfs/dbraw/zinc/68/28/62/1022682862.db2.gz IOBZJYIADVHGFA-INIZCTEOSA-N 1 3 368.481 2.847 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC000074710322 1022918292 /nfs/dbraw/zinc/91/82/92/1022918292.db2.gz MVXBCQBMGMLWDZ-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO [NH3+]CC1([C@@H]2CCCCN2C(=O)NC[C@H]2NCCc3ccccc32)CCC1 ZINC001120546151 1023355517 /nfs/dbraw/zinc/35/55/17/1023355517.db2.gz QFCWPUOFAHNJHL-MOPGFXCFSA-N 1 3 356.514 2.567 20 0 FFADHO C[C@](O)(CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001120590223 1023374183 /nfs/dbraw/zinc/37/41/83/1023374183.db2.gz JZMFFSUSUMJVPP-FCHUYYIVSA-N 1 3 354.494 2.511 20 0 FFADHO C[C@](O)(CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001120590223 1023374189 /nfs/dbraw/zinc/37/41/89/1023374189.db2.gz JZMFFSUSUMJVPP-FCHUYYIVSA-N 1 3 354.494 2.511 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2c(C)cccc2Cl)CC[N@@H+]1C ZINC001491460318 1023608088 /nfs/dbraw/zinc/60/80/88/1023608088.db2.gz BPXXFUZJMSDVBR-RVKKMQEKSA-N 1 3 351.922 2.973 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2c(C)cccc2Cl)CC[N@H+]1C ZINC001491460318 1023608091 /nfs/dbraw/zinc/60/80/91/1023608091.db2.gz BPXXFUZJMSDVBR-RVKKMQEKSA-N 1 3 351.922 2.973 20 0 FFADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1)C1CCCC1 ZINC001122123120 1024359192 /nfs/dbraw/zinc/35/91/92/1024359192.db2.gz NTOOJILJLOHFOF-OXQOHEQNSA-N 1 3 371.525 2.928 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368861 1024560597 /nfs/dbraw/zinc/56/05/97/1024560597.db2.gz QMNCFWFMEZACDH-KNQAVFIVSA-N 1 3 357.542 2.945 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368861 1024560601 /nfs/dbraw/zinc/56/06/01/1024560601.db2.gz QMNCFWFMEZACDH-KNQAVFIVSA-N 1 3 357.542 2.945 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C ZINC001102015543 1025301761 /nfs/dbraw/zinc/30/17/61/1025301761.db2.gz JXIRSIYKDMXNRO-SZVBFZGTSA-N 1 3 367.484 2.690 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C ZINC001102015543 1025301767 /nfs/dbraw/zinc/30/17/67/1025301767.db2.gz JXIRSIYKDMXNRO-SZVBFZGTSA-N 1 3 367.484 2.690 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C ZINC001102044978 1025348028 /nfs/dbraw/zinc/34/80/28/1025348028.db2.gz MMEIOEUKTDERFK-GGPKGHCWSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C ZINC001102044978 1025348043 /nfs/dbraw/zinc/34/80/43/1025348043.db2.gz MMEIOEUKTDERFK-GGPKGHCWSA-N 1 3 358.530 2.529 20 0 FFADHO COC[C@@]1(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCCCN1 ZINC000638102117 1025701614 /nfs/dbraw/zinc/70/16/14/1025701614.db2.gz XWNMZUNCGJFMCM-JOCHJYFZSA-N 1 3 373.541 2.516 20 0 FFADHO COC[C@@]1(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCCCN1 ZINC000638102117 1025701619 /nfs/dbraw/zinc/70/16/19/1025701619.db2.gz XWNMZUNCGJFMCM-JOCHJYFZSA-N 1 3 373.541 2.516 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](N3CCN(C)CC3)[C@@H](C)C1)CC2 ZINC000638138191 1025718999 /nfs/dbraw/zinc/71/89/99/1025718999.db2.gz XJTMXNYHWHPFKX-PWIZWCRZSA-N 1 3 373.541 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](N3CCN(C)CC3)[C@@H](C)C1)CC2 ZINC000638138191 1025719002 /nfs/dbraw/zinc/71/90/02/1025719002.db2.gz XJTMXNYHWHPFKX-PWIZWCRZSA-N 1 3 373.541 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N1CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C1)CC2 ZINC000638138191 1025719007 /nfs/dbraw/zinc/71/90/07/1025719007.db2.gz XJTMXNYHWHPFKX-PWIZWCRZSA-N 1 3 373.541 2.649 20 0 FFADHO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638400548 1025824605 /nfs/dbraw/zinc/82/46/05/1025824605.db2.gz ZIWMKKNGSXNSBV-INIZCTEOSA-N 1 3 361.530 2.996 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375264 1025847059 /nfs/dbraw/zinc/84/70/59/1025847059.db2.gz AIPAUTYJCWQMMZ-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375264 1025847082 /nfs/dbraw/zinc/84/70/82/1025847082.db2.gz AIPAUTYJCWQMMZ-SJLPKXTDSA-N 1 3 363.521 2.988 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001102380764 1025854430 /nfs/dbraw/zinc/85/44/30/1025854430.db2.gz VSMFYQSEWREZFH-SUMDDJOVSA-N 1 3 365.949 2.907 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001102380764 1025854448 /nfs/dbraw/zinc/85/44/48/1025854448.db2.gz VSMFYQSEWREZFH-SUMDDJOVSA-N 1 3 365.949 2.907 20 0 FFADHO Cn1c(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc2ccccc21 ZINC000638512626 1025874377 /nfs/dbraw/zinc/87/43/77/1025874377.db2.gz HJERXEMOAWRMFM-UHFFFAOYSA-N 1 3 364.493 2.760 20 0 FFADHO N[C@H](CC(F)F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000638809356 1026031014 /nfs/dbraw/zinc/03/10/14/1026031014.db2.gz XIOOWNXBPXCCKP-IPMKNSEASA-N 1 3 373.447 2.753 20 0 FFADHO N[C@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000638809356 1026031029 /nfs/dbraw/zinc/03/10/29/1026031029.db2.gz XIOOWNXBPXCCKP-IPMKNSEASA-N 1 3 373.447 2.753 20 0 FFADHO CN1CC[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000638833359 1026039415 /nfs/dbraw/zinc/03/94/15/1026039415.db2.gz VVKBUPZKCPHQGH-MOPGFXCFSA-N 1 3 367.484 2.535 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1C ZINC001102472266 1026040500 /nfs/dbraw/zinc/04/05/00/1026040500.db2.gz RRXJFWINNYPZSV-WOJBJXKFSA-N 1 3 369.594 2.855 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1C ZINC001102472266 1026040517 /nfs/dbraw/zinc/04/05/17/1026040517.db2.gz RRXJFWINNYPZSV-WOJBJXKFSA-N 1 3 369.594 2.855 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCOCC)C[C@H]1C ZINC001102472358 1026041136 /nfs/dbraw/zinc/04/11/36/1026041136.db2.gz YADINRMFRJNOIT-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCOCC)C[C@H]1C ZINC001102472358 1026041154 /nfs/dbraw/zinc/04/11/54/1026041154.db2.gz YADINRMFRJNOIT-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638850888 1026048390 /nfs/dbraw/zinc/04/83/90/1026048390.db2.gz IHLQKXAEOWRUTA-IRLDBZIGSA-N 1 3 356.558 2.582 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)sc2C)C[C@H]1C ZINC001102473538 1026049120 /nfs/dbraw/zinc/04/91/20/1026049120.db2.gz DYMIYQKUMCLVGG-RDTXWAMCSA-N 1 3 351.560 2.891 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1C ZINC001102473538 1026049138 /nfs/dbraw/zinc/04/91/38/1026049138.db2.gz DYMIYQKUMCLVGG-RDTXWAMCSA-N 1 3 351.560 2.891 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102475581 1026056092 /nfs/dbraw/zinc/05/60/92/1026056092.db2.gz UUNDWHGVXLUWFZ-QINHECLXSA-N 1 3 361.505 2.839 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001102475581 1026056108 /nfs/dbraw/zinc/05/61/08/1026056108.db2.gz UUNDWHGVXLUWFZ-QINHECLXSA-N 1 3 361.505 2.839 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639170608 1026206618 /nfs/dbraw/zinc/20/66/18/1026206618.db2.gz VYBLNSAUXYLNTC-UHFFFAOYSA-N 1 3 362.468 2.971 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1F ZINC000838288272 1026301381 /nfs/dbraw/zinc/30/13/81/1026301381.db2.gz QCDFLEDDCWTNRJ-IBGZPJMESA-N 1 3 369.456 2.917 20 0 FFADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000639755843 1026457874 /nfs/dbraw/zinc/45/78/74/1026457874.db2.gz OQVFIKXLFKJVKF-APWZRJJASA-N 1 3 359.489 2.905 20 0 FFADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103085447 1026947155 /nfs/dbraw/zinc/94/71/55/1026947155.db2.gz VWUXQSMCCOOPCJ-IAGOWNOFSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103085447 1026947156 /nfs/dbraw/zinc/94/71/56/1026947156.db2.gz VWUXQSMCCOOPCJ-IAGOWNOFSA-N 1 3 363.571 2.849 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C3CCC3)C2)sn1 ZINC001103089936 1026952077 /nfs/dbraw/zinc/95/20/77/1026952077.db2.gz GQIZLYCEAVHGQJ-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C3CCC3)C2)sn1 ZINC001103089936 1026952086 /nfs/dbraw/zinc/95/20/86/1026952086.db2.gz GQIZLYCEAVHGQJ-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001103111542 1026971786 /nfs/dbraw/zinc/97/17/86/1026971786.db2.gz ADDAOBBGPHYUEL-POAQFYNOSA-N 1 3 363.521 2.986 20 0 FFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001103111542 1026971795 /nfs/dbraw/zinc/97/17/95/1026971795.db2.gz ADDAOBBGPHYUEL-POAQFYNOSA-N 1 3 363.521 2.986 20 0 FFADHO CN1CCC(N(c2nc(Cl)nc3c2CSC3)C2CC[NH2+]CC2)CC1 ZINC001158575339 1027064767 /nfs/dbraw/zinc/06/47/67/1027064767.db2.gz MJUHLQJIYGBUAK-UHFFFAOYSA-N 1 3 367.950 2.529 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)s1 ZINC001103407689 1027416552 /nfs/dbraw/zinc/41/65/52/1027416552.db2.gz PGDJQBLEPWLHNV-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)s1 ZINC001103407689 1027416560 /nfs/dbraw/zinc/41/65/60/1027416560.db2.gz PGDJQBLEPWLHNV-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438616 1027485910 /nfs/dbraw/zinc/48/59/10/1027485910.db2.gz SNUQCEIHKQTJON-NVXWUHKLSA-N 1 3 371.516 2.838 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438616 1027485919 /nfs/dbraw/zinc/48/59/19/1027485919.db2.gz SNUQCEIHKQTJON-NVXWUHKLSA-N 1 3 371.516 2.838 20 0 FFADHO c1cc(O[C@H]2CCC[NH2+]C2)ccc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001159954285 1027543784 /nfs/dbraw/zinc/54/37/84/1027543784.db2.gz RZOLMFMEJOGVKM-FPOVZHCZSA-N 1 3 357.498 2.998 20 0 FFADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001160152852 1027610814 /nfs/dbraw/zinc/61/08/14/1027610814.db2.gz INPMIWZWZMGMRB-RXVVDRJESA-N 1 3 357.542 2.882 20 0 FFADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC001160152852 1027610818 /nfs/dbraw/zinc/61/08/18/1027610818.db2.gz INPMIWZWZMGMRB-RXVVDRJESA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(Cc3ncccc3C)CC2)CC[N@@H+]1C ZINC001160168850 1027618697 /nfs/dbraw/zinc/61/86/97/1027618697.db2.gz BAJSCLJHWVEAPB-PZJWPPBQSA-N 1 3 370.541 2.759 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(Cc3ncccc3C)CC2)CC[N@H+]1C ZINC001160168850 1027618702 /nfs/dbraw/zinc/61/87/02/1027618702.db2.gz BAJSCLJHWVEAPB-PZJWPPBQSA-N 1 3 370.541 2.759 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001160434855 1027706786 /nfs/dbraw/zinc/70/67/86/1027706786.db2.gz IBFAPQRCNJIIGX-IBGZPJMESA-N 1 3 356.514 2.933 20 0 FFADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000249065265 1027943819 /nfs/dbraw/zinc/94/38/19/1027943819.db2.gz ZGUHWTZWTBGKMC-VSZNYVQBSA-N 1 3 369.550 2.863 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC001160958367 1027947562 /nfs/dbraw/zinc/94/75/62/1027947562.db2.gz VMKKFSXDBYAEPR-ICSRJNTNSA-N 1 3 359.514 2.636 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643501556 1028025132 /nfs/dbraw/zinc/02/51/32/1028025132.db2.gz KNXNBOIVQOYAAB-YESZJQIVSA-N 1 3 355.482 2.716 20 0 FFADHO CCC[NH+]1C[C@H]2CN(C(=O)[C@H](N)Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001161174760 1028050827 /nfs/dbraw/zinc/05/08/27/1028050827.db2.gz DZQPYXDRLFAVQB-CMKODMSKSA-N 1 3 357.542 2.654 20 0 FFADHO Cc1ccc(CN(C(=O)C[C@@H]2CCNC[C@@H]2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161400656 1028159558 /nfs/dbraw/zinc/15/95/58/1028159558.db2.gz NMOWCAQBTVSAPV-MUGJNUQGSA-N 1 3 361.505 2.931 20 0 FFADHO COc1c(Cl)cc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001161448875 1028179917 /nfs/dbraw/zinc/17/99/17/1028179917.db2.gz IOCVUUNWBSIOTJ-CYBMUJFWSA-N 1 3 374.312 2.758 20 0 FFADHO CN(C)CCN(C(=O)c1ccc(-c2ccc(O)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161449371 1028180157 /nfs/dbraw/zinc/18/01/57/1028180157.db2.gz MLXVEQWOIYPMCH-HXUWFJFHSA-N 1 3 367.493 2.815 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(C(=O)NC(C)(C)C)cc(Cl)n1 ZINC001163126065 1028813578 /nfs/dbraw/zinc/81/35/78/1028813578.db2.gz PEMPEGOJUTUIKN-UHFFFAOYSA-N 1 3 368.913 2.541 20 0 FFADHO CNC(=O)c1ccc2cc(NCC3(N(C)C)CC[NH+](C)CC3)ccc2c1 ZINC001164213015 1029204706 /nfs/dbraw/zinc/20/47/06/1029204706.db2.gz LUZUYILYOFRDLK-UHFFFAOYSA-N 1 3 354.498 2.637 20 0 FFADHO CN(C)C1(CNc2cccc(-c3cc[nH]c(=S)n3)c2)CC[NH+](C)CC1 ZINC001164216676 1029208796 /nfs/dbraw/zinc/20/87/96/1029208796.db2.gz HREPTWHNMVHIMO-UHFFFAOYSA-N 1 3 357.527 2.870 20 0 FFADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(CCOCC(C)C)C2)[NH+](CC)CC ZINC001111870062 1029649220 /nfs/dbraw/zinc/64/92/20/1029649220.db2.gz ZMYOPLSPXRQYTM-ZVDOUQERSA-N 1 3 367.578 2.750 20 0 FFADHO Cc1csc2nc(C)nc(N3CCN(CC4CC[NH+](C)CC4)CC3)c12 ZINC001157841379 1029673920 /nfs/dbraw/zinc/67/39/20/1029673920.db2.gz DYJVBSPVLQMCQU-UHFFFAOYSA-N 1 3 359.543 2.772 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3nc(C(C)(C)C)nc4[nH]ccc43)CC2)CC1 ZINC001157842745 1029674333 /nfs/dbraw/zinc/67/43/33/1029674333.db2.gz VITLJRUMJWCFCD-UHFFFAOYSA-N 1 3 370.545 2.719 20 0 FFADHO N[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC001157959729 1029692135 /nfs/dbraw/zinc/69/21/35/1029692135.db2.gz FCNIRRVGYNJJMN-SJORKVTESA-N 1 3 374.282 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CN(C)CCOC2CCC2)CC[N@@H+]1C ZINC001157973580 1029697510 /nfs/dbraw/zinc/69/75/10/1029697510.db2.gz JFOXMOQJXATGSF-YZGWKJHDSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CN(C)CCOC2CCC2)CC[N@H+]1C ZINC001157973580 1029697514 /nfs/dbraw/zinc/69/75/14/1029697514.db2.gz JFOXMOQJXATGSF-YZGWKJHDSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1nc2c3ccccc3oc2c(N2CCC([N@@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158261317 1029776037 /nfs/dbraw/zinc/77/60/37/1029776037.db2.gz LXPVISKMJFAJGR-AWEZNQCLSA-N 1 3 351.454 2.686 20 0 FFADHO Cc1nc2c3ccccc3oc2c(N2CCC([N@H+]3CC[C@H](N)C3)CC2)n1 ZINC001158261317 1029776041 /nfs/dbraw/zinc/77/60/41/1029776041.db2.gz LXPVISKMJFAJGR-AWEZNQCLSA-N 1 3 351.454 2.686 20 0 FFADHO O=C([C@@H]1CCC[C@@H](c2ccccc2)N1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335311 1029801342 /nfs/dbraw/zinc/80/13/42/1029801342.db2.gz RGLKLXTXZNSUNB-MYGLTJDJSA-N 1 3 361.489 2.968 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC001158380352 1029815704 /nfs/dbraw/zinc/81/57/04/1029815704.db2.gz QOUGFYKMRRSMDG-IUODEOHRSA-N 1 3 358.313 2.930 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC001158380352 1029815708 /nfs/dbraw/zinc/81/57/08/1029815708.db2.gz QOUGFYKMRRSMDG-IUODEOHRSA-N 1 3 358.313 2.930 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC001158404197 1029819609 /nfs/dbraw/zinc/81/96/09/1029819609.db2.gz RRLRMDDPBUGGDM-DOTOQJQBSA-N 1 3 355.885 2.805 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cc(Cl)ccc2F)CC[N@H+]1C ZINC001158404197 1029819618 /nfs/dbraw/zinc/81/96/18/1029819618.db2.gz RRLRMDDPBUGGDM-DOTOQJQBSA-N 1 3 355.885 2.805 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@H](C)c2c(F)cccc2F)CC[N@@H+]1C ZINC001158413369 1029823347 /nfs/dbraw/zinc/82/33/47/1029823347.db2.gz YQJDGCSPJJQOLB-JKIFEVAISA-N 1 3 353.457 2.852 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@H](C)c2c(F)cccc2F)CC[N@H+]1C ZINC001158413369 1029823356 /nfs/dbraw/zinc/82/33/56/1029823356.db2.gz YQJDGCSPJJQOLB-JKIFEVAISA-N 1 3 353.457 2.852 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC000841009085 1029974352 /nfs/dbraw/zinc/97/43/52/1029974352.db2.gz HGEXEQTXNDIYSR-HMXCVIKNSA-N 1 3 373.541 2.552 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC000841009085 1029974368 /nfs/dbraw/zinc/97/43/68/1029974368.db2.gz HGEXEQTXNDIYSR-HMXCVIKNSA-N 1 3 373.541 2.552 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@@H+]1CCC[C@H]1C ZINC000783519053 1030133224 /nfs/dbraw/zinc/13/32/24/1030133224.db2.gz UDPGLPFCCZGMKS-JKSUJKDBSA-N 1 3 372.513 2.826 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[N@H+]1CCC[C@H]1C ZINC000783519053 1030133234 /nfs/dbraw/zinc/13/32/34/1030133234.db2.gz UDPGLPFCCZGMKS-JKSUJKDBSA-N 1 3 372.513 2.826 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1 ZINC001112180026 1030162011 /nfs/dbraw/zinc/16/20/11/1030162011.db2.gz ZSDMJALGFRYIRR-HUUCEWRRSA-N 1 3 369.447 2.837 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841819396 1030486450 /nfs/dbraw/zinc/48/64/50/1030486450.db2.gz BTUXICYBYFWXJM-SJORKVTESA-N 1 3 366.456 2.510 20 0 FFADHO CN(C(=O)NCc1ccc(CC[NH3+])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000841926522 1030546726 /nfs/dbraw/zinc/54/67/26/1030546726.db2.gz BFQLSNULHLAIPZ-NRFANRHFSA-N 1 3 366.509 2.604 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC001203767295 1030875437 /nfs/dbraw/zinc/87/54/37/1030875437.db2.gz GNWMEQPWSSFWJS-UHFFFAOYSA-N 1 3 366.347 2.909 20 0 FFADHO CC(=O)Nc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203925266 1030986859 /nfs/dbraw/zinc/98/68/59/1030986859.db2.gz ZPMVUSBYFDCMFN-BGYRXZFFSA-N 1 3 350.466 2.604 20 0 FFADHO CC(=O)Nc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203925266 1030986869 /nfs/dbraw/zinc/98/68/69/1030986869.db2.gz ZPMVUSBYFDCMFN-BGYRXZFFSA-N 1 3 350.466 2.604 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(Br)cs1 ZINC001204025533 1031041831 /nfs/dbraw/zinc/04/18/31/1031041831.db2.gz HMJSZOPSXKOGMF-LSDHHAIUSA-N 1 3 358.349 2.721 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(Br)cs1 ZINC001204025533 1031041847 /nfs/dbraw/zinc/04/18/47/1031041847.db2.gz HMJSZOPSXKOGMF-LSDHHAIUSA-N 1 3 358.349 2.721 20 0 FFADHO CCO[C@@H]1CN(Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H]2CCCO[C@H]12 ZINC001204264728 1031194561 /nfs/dbraw/zinc/19/45/61/1031194561.db2.gz IRURIXSENSKDGC-NJYVYQBISA-N 1 3 362.514 2.785 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNC/C(Cl)=C/Cl)CC2)CC[N@@H+]1C ZINC001205334268 1031678408 /nfs/dbraw/zinc/67/84/08/1031678408.db2.gz JBDZWFAHOUHUAG-HGXPIFGLSA-N 1 3 362.345 2.864 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNC/C(Cl)=C/Cl)CC2)CC[N@H+]1C ZINC001205334268 1031678418 /nfs/dbraw/zinc/67/84/18/1031678418.db2.gz JBDZWFAHOUHUAG-HGXPIFGLSA-N 1 3 362.345 2.864 20 0 FFADHO [NH3+]C[C@]1(F)CCCN(Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001205558499 1031835418 /nfs/dbraw/zinc/83/54/18/1031835418.db2.gz FQCUECUMEGKOIF-HNNXBMFYSA-N 1 3 355.255 2.978 20 0 FFADHO C[C@@H]1CCN(Cc2cn3cc(Br)ccc3n2)CC[C@@H]1C[NH3+] ZINC001205638252 1031897209 /nfs/dbraw/zinc/89/72/09/1031897209.db2.gz LPYKAKNPMOTHBO-CHWSQXEVSA-N 1 3 351.292 2.904 20 0 FFADHO Cc1cc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n(C)n1 ZINC001205897148 1032054946 /nfs/dbraw/zinc/05/49/46/1032054946.db2.gz OMYMNDQTZCKXPG-NRFANRHFSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1cc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n(C)n1 ZINC001205897148 1032054958 /nfs/dbraw/zinc/05/49/58/1032054958.db2.gz OMYMNDQTZCKXPG-NRFANRHFSA-N 1 3 368.525 2.984 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]3(C(C)C)CCC[NH2+]C3)cc2)CC1 ZINC001218845870 1033371207 /nfs/dbraw/zinc/37/12/07/1033371207.db2.gz LNRVHFMLKYJTOI-QFIPXVFZSA-N 1 3 372.557 2.788 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1F ZINC001218958899 1033429781 /nfs/dbraw/zinc/42/97/81/1033429781.db2.gz FNELEGPNRZKGIW-JTQLQIEISA-N 1 3 351.344 2.722 20 0 FFADHO C[C@H]1CCN[C@H](C(=O)Nc2c(F)cccc2OCC2CC[NH+](C)CC2)C1 ZINC001219299095 1033588748 /nfs/dbraw/zinc/58/87/48/1033588748.db2.gz IMCQGTPDUITGOK-YOEHRIQHSA-N 1 3 363.477 2.873 20 0 FFADHO Cc1ccncc1CN1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223956152 1033661319 /nfs/dbraw/zinc/66/13/19/1033661319.db2.gz ZWTHWNHOZJWVGA-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC001224843318 1034030172 /nfs/dbraw/zinc/03/01/72/1034030172.db2.gz ALDUELSNZKYCBG-KURKYZTESA-N 1 3 364.578 2.869 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCC2CCCCCC2)C[C@@H]1O)[NH+](CC)CC ZINC001220345456 1034127260 /nfs/dbraw/zinc/12/72/60/1034127260.db2.gz WWGHHFXKOFYZMQ-AABGKKOBSA-N 1 3 367.578 2.629 20 0 FFADHO N[C@@H](CC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC001220680785 1034336172 /nfs/dbraw/zinc/33/61/72/1034336172.db2.gz QZPRARZENQXPKP-JJXSEGSLSA-N 1 3 355.404 2.885 20 0 FFADHO C[NH+](C)CCN1c2ccccc2[C@]2(CCN(Cc3ccc(Cl)o3)C2)C1=O ZINC001277083344 1034452662 /nfs/dbraw/zinc/45/26/62/1034452662.db2.gz FQGJSRWSKONSEP-HXUWFJFHSA-N 1 3 373.884 2.985 20 0 FFADHO N[C@]1(C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)CCc2cc(F)ccc2C1 ZINC001221130090 1034570453 /nfs/dbraw/zinc/57/04/53/1034570453.db2.gz HHLNTJNOOGLHLN-JOCHJYFZSA-N 1 3 373.516 2.688 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)s1 ZINC001226790337 1034840167 /nfs/dbraw/zinc/84/01/67/1034840167.db2.gz AKXLYGPGCHEEDV-JFIYKMOQSA-N 1 3 364.559 2.617 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)s1 ZINC001226790344 1034842993 /nfs/dbraw/zinc/84/29/93/1034842993.db2.gz AKXLYGPGCHEEDV-NUJGCVRESA-N 1 3 364.559 2.617 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C2CCC2)c(C)n1 ZINC001226825179 1034855743 /nfs/dbraw/zinc/85/57/43/1034855743.db2.gz WKQZQZRJUGVJCW-WOJBJXKFSA-N 1 3 358.530 2.700 20 0 FFADHO CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCN(C)C1 ZINC001221623601 1034928310 /nfs/dbraw/zinc/92/83/10/1034928310.db2.gz PSCKZJIMDXFGOL-LJQANCHMSA-N 1 3 350.551 2.767 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4c(cnn4C)c3)C2)C1 ZINC001139950482 1035289080 /nfs/dbraw/zinc/28/90/80/1035289080.db2.gz MULVIJKQEAUZJU-IFMALSPDSA-N 1 3 368.525 2.754 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4c(cnn4C)c3)C2)C1 ZINC001139950482 1035289083 /nfs/dbraw/zinc/28/90/83/1035289083.db2.gz MULVIJKQEAUZJU-IFMALSPDSA-N 1 3 368.525 2.754 20 0 FFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnnc1)CC2 ZINC001139982148 1035297108 /nfs/dbraw/zinc/29/71/08/1035297108.db2.gz DEBJTCYDWYCPLG-KRWDZBQOSA-N 1 3 358.511 2.794 20 0 FFADHO COC(=O)c1cccc2n[nH]c(CN3CCC4(CC3)CC[NH+](C)CC4)c21 ZINC001232441665 1035690384 /nfs/dbraw/zinc/69/03/84/1035690384.db2.gz QRWKUCBVCVKVQS-UHFFFAOYSA-N 1 3 356.470 2.657 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227899682 1035795045 /nfs/dbraw/zinc/79/50/45/1035795045.db2.gz BGMZATUJHFUIJC-QZTJIDSGSA-N 1 3 353.551 2.693 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(OC)c1)N(C)C ZINC001228660244 1036239077 /nfs/dbraw/zinc/23/90/77/1036239077.db2.gz APMSSQIHSKERAM-QRVBRYPASA-N 1 3 361.530 2.861 20 0 FFADHO Cc1cc(F)cc(Cl)c1CN1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001277779182 1036443214 /nfs/dbraw/zinc/44/32/14/1036443214.db2.gz XXBFKSLLELXGBO-IBGZPJMESA-N 1 3 367.896 2.774 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CC)OC ZINC001229181255 1036535476 /nfs/dbraw/zinc/53/54/76/1036535476.db2.gz ULWICEZWGLAAFJ-GUDVDZBRSA-N 1 3 355.567 2.941 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1F ZINC001229504709 1036712281 /nfs/dbraw/zinc/71/22/81/1036712281.db2.gz YJVLQMNVAFVPPG-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1F ZINC001229504709 1036712292 /nfs/dbraw/zinc/71/22/92/1036712292.db2.gz YJVLQMNVAFVPPG-QZTJIDSGSA-N 1 3 353.457 2.824 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC001233739312 1036742551 /nfs/dbraw/zinc/74/25/51/1036742551.db2.gz HCDUSIBUPFSFGO-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC001229860174 1036941204 /nfs/dbraw/zinc/94/12/04/1036941204.db2.gz NLJXOHOLLZDTOE-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266628 1037185137 /nfs/dbraw/zinc/18/51/37/1037185137.db2.gz RBPXDOCSIAEARX-RTBURBONSA-N 1 3 358.530 2.783 20 0 FFADHO CCn1ccnc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001207141015 1037185359 /nfs/dbraw/zinc/18/53/59/1037185359.db2.gz GRYFXEWSPBXRLK-LJQANCHMSA-N 1 3 369.513 2.554 20 0 FFADHO CCn1ccnc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001207141015 1037185370 /nfs/dbraw/zinc/18/53/70/1037185370.db2.gz GRYFXEWSPBXRLK-LJQANCHMSA-N 1 3 369.513 2.554 20 0 FFADHO COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286184 1037195744 /nfs/dbraw/zinc/19/57/44/1037195744.db2.gz FCICJPGPEUFGCA-GUDVDZBRSA-N 1 3 353.551 2.550 20 0 FFADHO CN1C[C@H](c2ccccc2)C2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207282417 1037313689 /nfs/dbraw/zinc/31/36/89/1037313689.db2.gz QBXYLIJFNFJGQR-LJQANCHMSA-N 1 3 357.542 2.912 20 0 FFADHO Cc1cc(Br)cc(C)c1CN1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235041524 1037322966 /nfs/dbraw/zinc/32/29/66/1037322966.db2.gz RDKURMSYPHQATI-RHSMWYFYSA-N 1 3 353.304 2.876 20 0 FFADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1ccc(Br)cc1 ZINC001207380960 1037398288 /nfs/dbraw/zinc/39/82/88/1037398288.db2.gz FHODAUPGKWOPLD-UHFFFAOYSA-N 1 3 371.319 2.808 20 0 FFADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1ccc(Br)cc1 ZINC001207380960 1037398295 /nfs/dbraw/zinc/39/82/95/1037398295.db2.gz FHODAUPGKWOPLD-UHFFFAOYSA-N 1 3 371.319 2.808 20 0 FFADHO Cc1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)n(-c2ccccc2)n1 ZINC001207399198 1037415687 /nfs/dbraw/zinc/41/56/87/1037415687.db2.gz HJXPUIZDUCMCJW-UHFFFAOYSA-N 1 3 353.514 2.645 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cccc(F)c3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235350052 1037495192 /nfs/dbraw/zinc/49/51/92/1037495192.db2.gz RWIPEDSLWCWVSF-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO [NH3+][C@H](CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)c1ccccc1 ZINC001235596211 1037636400 /nfs/dbraw/zinc/63/64/00/1037636400.db2.gz GHOGOLDSFDEYAD-HLAWJBBLSA-N 1 3 355.457 2.663 20 0 FFADHO CC1(C)N[C@@H](CC[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CO1 ZINC001235611729 1037645704 /nfs/dbraw/zinc/64/57/04/1037645704.db2.gz OALHDBFBZCYSEZ-KXBFYZLASA-N 1 3 363.527 2.682 20 0 FFADHO CC1(C)N[C@@H](CC[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CO1 ZINC001235611729 1037645708 /nfs/dbraw/zinc/64/57/08/1037645708.db2.gz OALHDBFBZCYSEZ-KXBFYZLASA-N 1 3 363.527 2.682 20 0 FFADHO c1csc(CCN2CCN(Cc3ccccc3N3CC[NH2+]CC3)CC2)c1 ZINC001235691015 1037688212 /nfs/dbraw/zinc/68/82/12/1037688212.db2.gz GKEVFJTVBKZMAS-UHFFFAOYSA-N 1 3 370.566 2.518 20 0 FFADHO CCOc1cc(CN2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1F ZINC001235800730 1037753064 /nfs/dbraw/zinc/75/30/64/1037753064.db2.gz GYQSCMFSWDDLKB-MOPGFXCFSA-N 1 3 372.488 2.912 20 0 FFADHO CCOc1cc(CN2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1F ZINC001235800730 1037753076 /nfs/dbraw/zinc/75/30/76/1037753076.db2.gz GYQSCMFSWDDLKB-MOPGFXCFSA-N 1 3 372.488 2.912 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccccc3N3CCCCC3)C[C@H]1CNCC2 ZINC001236039230 1037900718 /nfs/dbraw/zinc/90/07/18/1037900718.db2.gz UOEZCMMLGMJKMO-DENIHFKCSA-N 1 3 371.525 2.652 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccccc3N3CCCCC3)C[C@H]1CNCC2 ZINC001236039230 1037900727 /nfs/dbraw/zinc/90/07/27/1037900727.db2.gz UOEZCMMLGMJKMO-DENIHFKCSA-N 1 3 371.525 2.652 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccc(OC(F)(F)C(F)F)cc3)C2)C1 ZINC001236078057 1037921179 /nfs/dbraw/zinc/92/11/79/1037921179.db2.gz MWAIABRXIQRZMO-CQSZACIVSA-N 1 3 361.383 2.531 20 0 FFADHO c1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)c2c(c1)OCCO2 ZINC001231882966 1037977114 /nfs/dbraw/zinc/97/71/14/1037977114.db2.gz FCBPKVOPALVMCB-UHFFFAOYSA-N 1 3 360.498 2.782 20 0 FFADHO c1c(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)nc2cc[nH]cc1-2 ZINC001232013622 1038106190 /nfs/dbraw/zinc/10/61/90/1038106190.db2.gz BERBVSTWYQIZIN-GHTZIAJQSA-N 1 3 354.498 2.886 20 0 FFADHO c1c(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)nc2cc[nH]cc1-2 ZINC001232013622 1038106203 /nfs/dbraw/zinc/10/62/03/1038106203.db2.gz BERBVSTWYQIZIN-GHTZIAJQSA-N 1 3 354.498 2.886 20 0 FFADHO c1c2cnccc2[nH]c1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001232013622 1038106209 /nfs/dbraw/zinc/10/62/09/1038106209.db2.gz BERBVSTWYQIZIN-GHTZIAJQSA-N 1 3 354.498 2.886 20 0 FFADHO c1c2cnccc2[nH]c1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001232013622 1038106219 /nfs/dbraw/zinc/10/62/19/1038106219.db2.gz BERBVSTWYQIZIN-GHTZIAJQSA-N 1 3 354.498 2.886 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc4c[nH]ccc-4n3)CC2)C1 ZINC001232012821 1038106768 /nfs/dbraw/zinc/10/67/68/1038106768.db2.gz SXAUTTYEGMHGMV-INIZCTEOSA-N 1 3 370.497 2.802 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cc4c[nH]ccc-4n3)CC2)C1 ZINC001232012821 1038106783 /nfs/dbraw/zinc/10/67/83/1038106783.db2.gz SXAUTTYEGMHGMV-INIZCTEOSA-N 1 3 370.497 2.802 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc4cnccc4[nH]3)CC2)C1 ZINC001232012821 1038106793 /nfs/dbraw/zinc/10/67/93/1038106793.db2.gz SXAUTTYEGMHGMV-INIZCTEOSA-N 1 3 370.497 2.802 20 0 FFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cc4cnccc4[nH]3)CC2)C1 ZINC001232012821 1038106804 /nfs/dbraw/zinc/10/68/04/1038106804.db2.gz SXAUTTYEGMHGMV-INIZCTEOSA-N 1 3 370.497 2.802 20 0 FFADHO CN1CCN(c2cc(CN(C[C@@H]3CCC[NH2+]C3)C3CC3)ccc2F)CC1 ZINC001236601218 1038149239 /nfs/dbraw/zinc/14/92/39/1038149239.db2.gz LSJSQWLGWICWHO-GOSISDBHSA-N 1 3 360.521 2.542 20 0 FFADHO COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001208402183 1038287217 /nfs/dbraw/zinc/28/72/17/1038287217.db2.gz XRPUENUCQAEIQX-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001208402183 1038287223 /nfs/dbraw/zinc/28/72/23/1038287223.db2.gz XRPUENUCQAEIQX-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208434969 1038312941 /nfs/dbraw/zinc/31/29/41/1038312941.db2.gz LSYUNJZSSASQQE-OXQOHEQNSA-N 1 3 354.498 2.513 20 0 FFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(C1CC[NH+](C3CC3)CC1)CC2 ZINC001256075747 1038360577 /nfs/dbraw/zinc/36/05/77/1038360577.db2.gz CPVZDPRZLPLRBL-FQEVSTJZSA-N 1 3 373.541 2.962 20 0 FFADHO Cc1cccc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208530216 1038387008 /nfs/dbraw/zinc/38/70/08/1038387008.db2.gz KKGWPROTVYRSOX-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO Cc1cccc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208530216 1038387022 /nfs/dbraw/zinc/38/70/22/1038387022.db2.gz KKGWPROTVYRSOX-HMXCVIKNSA-N 1 3 359.558 2.950 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(F)c(N4CCCC4)c3)CC2)CC1 ZINC001237101452 1038443288 /nfs/dbraw/zinc/44/32/88/1038443288.db2.gz GGKLGUOGIDQYNF-UHFFFAOYSA-N 1 3 374.548 2.885 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)C1 ZINC001208611113 1038445374 /nfs/dbraw/zinc/44/53/74/1038445374.db2.gz UQXKZYWHDGHPNY-ZJOUEHCJSA-N 1 3 359.514 2.673 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)C1 ZINC001208611113 1038445379 /nfs/dbraw/zinc/44/53/79/1038445379.db2.gz UQXKZYWHDGHPNY-ZJOUEHCJSA-N 1 3 359.514 2.673 20 0 FFADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208619708 1038451683 /nfs/dbraw/zinc/45/16/83/1038451683.db2.gz JHQRLLSOQUYPHZ-GAAMPABNSA-N 1 3 353.526 2.992 20 0 FFADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208619708 1038451687 /nfs/dbraw/zinc/45/16/87/1038451687.db2.gz JHQRLLSOQUYPHZ-GAAMPABNSA-N 1 3 353.526 2.992 20 0 FFADHO CCc1ncnc2c1CC[N@H+](C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208945255 1038598905 /nfs/dbraw/zinc/59/89/05/1038598905.db2.gz MRGQWTSXYBYWAB-IBGZPJMESA-N 1 3 350.510 2.962 20 0 FFADHO CCc1ncnc2c1CC[N@@H+](C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208945255 1038598909 /nfs/dbraw/zinc/59/89/09/1038598909.db2.gz MRGQWTSXYBYWAB-IBGZPJMESA-N 1 3 350.510 2.962 20 0 FFADHO COc1ccc2c(c1)c(CC[NH3+])cn2C1CCC(N2CCOCC2)CC1 ZINC001256677933 1038599142 /nfs/dbraw/zinc/59/91/42/1038599142.db2.gz QOTWXGCDIHQEAM-UHFFFAOYSA-N 1 3 357.498 2.967 20 0 FFADHO c1ccc(CN2CCC[C@@H]([NH2+]C3CCC(N4CCOCC4)CC3)C2)cc1 ZINC001256677284 1038599412 /nfs/dbraw/zinc/59/94/12/1038599412.db2.gz ATTMTCGPWRHJKE-ATKRNPRHSA-N 1 3 357.542 2.884 20 0 FFADHO CC(=O)N1CCCC[C@@]12CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951403 1038601981 /nfs/dbraw/zinc/60/19/81/1038601981.db2.gz KWBSXNQENBYJPK-VXKWHMMOSA-N 1 3 355.526 2.985 20 0 FFADHO CC(=O)N1CCCC[C@@]12CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951403 1038601984 /nfs/dbraw/zinc/60/19/84/1038601984.db2.gz KWBSXNQENBYJPK-VXKWHMMOSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256688397 1038604175 /nfs/dbraw/zinc/60/41/75/1038604175.db2.gz XVGXYVHLSCXMRE-GPQLOAJWSA-N 1 3 367.534 2.665 20 0 FFADHO Cc1cnc(O[C@@H]2CC[N@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965326 1038610541 /nfs/dbraw/zinc/61/05/41/1038610541.db2.gz YQVKDJISBQAMIA-VQTJNVASSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1cnc(O[C@@H]2CC[N@@H+](C[C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC001208965326 1038610548 /nfs/dbraw/zinc/61/05/48/1038610548.db2.gz YQVKDJISBQAMIA-VQTJNVASSA-N 1 3 352.482 2.760 20 0 FFADHO FC(F)(F)c1nn(C2CCN(c3cc[nH+]cc3)CC2)c2c1CCNC2 ZINC001256862515 1038638828 /nfs/dbraw/zinc/63/88/28/1038638828.db2.gz MYWBJGBRYSVSEZ-UHFFFAOYSA-N 1 3 351.376 2.784 20 0 FFADHO COC(=O)c1ccc2c(c1)CN(C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256861797 1038638859 /nfs/dbraw/zinc/63/88/59/1038638859.db2.gz VWZRPHQGHGXMCH-UHFFFAOYSA-N 1 3 351.450 2.895 20 0 FFADHO COC(C)(C)CC[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001209401996 1038835371 /nfs/dbraw/zinc/83/53/71/1038835371.db2.gz AGRYQLKKXYRNOP-UHFFFAOYSA-N 1 3 361.530 2.811 20 0 FFADHO O=C1CC[C@]2(CCC[N@H+](CCCN3CCCCC3)C2)N1Cc1ccncc1 ZINC001209452008 1038882564 /nfs/dbraw/zinc/88/25/64/1038882564.db2.gz ZIKPCEJICAFYEP-QFIPXVFZSA-N 1 3 370.541 2.915 20 0 FFADHO O=C1CC[C@]2(CCC[N@@H+](CCCN3CCCCC3)C2)N1Cc1ccncc1 ZINC001209452008 1038882584 /nfs/dbraw/zinc/88/25/84/1038882584.db2.gz ZIKPCEJICAFYEP-QFIPXVFZSA-N 1 3 370.541 2.915 20 0 FFADHO [NH3+]C1CCN(Cc2ccccc2C2=CC[C@H](N3CCOCC3)CC2)CC1 ZINC001245428671 1039008844 /nfs/dbraw/zinc/00/88/44/1039008844.db2.gz PYTPJBVNEGCJSX-NRFANRHFSA-N 1 3 355.526 2.878 20 0 FFADHO C[NH+]1CCC(CN2CCN([C@@H]3COc4ccc(Cl)cc4C3)CC2)CC1 ZINC001257965575 1039089068 /nfs/dbraw/zinc/08/90/68/1039089068.db2.gz DFFVUBRACBTARK-IBGZPJMESA-N 1 3 363.933 2.603 20 0 FFADHO CC(C)CN1CCC([NH2+]CC2CCN(C(=O)c3ccncc3)CC2)CC1 ZINC001258008094 1039105469 /nfs/dbraw/zinc/10/54/69/1039105469.db2.gz DJDAVPDFFJZUDR-UHFFFAOYSA-N 1 3 358.530 2.644 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001245992203 1039179132 /nfs/dbraw/zinc/17/91/32/1039179132.db2.gz FXRWHAIRJZWPAR-INDMIFKZSA-N 1 3 366.839 2.995 20 0 FFADHO COc1ccc2cccc(CCNC[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)c2c1 ZINC001246002774 1039185224 /nfs/dbraw/zinc/18/52/24/1039185224.db2.gz LYCCIGBPBYISHR-XZOQPEGZSA-N 1 3 364.489 2.911 20 0 FFADHO C[C@@H]1CC[C@@H](C[NH3+])CN1C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001246028226 1039203732 /nfs/dbraw/zinc/20/37/32/1039203732.db2.gz AYBLULFXRHVCJA-GJYPPUQNSA-N 1 3 362.514 2.561 20 0 FFADHO CC[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246045592 1039215747 /nfs/dbraw/zinc/21/57/47/1039215747.db2.gz LCTNZDMLPQSBHQ-VQTJNVASSA-N 1 3 364.436 2.726 20 0 FFADHO CC[N@H+](Cc1cccc(OC)c1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246045592 1039215762 /nfs/dbraw/zinc/21/57/62/1039215762.db2.gz LCTNZDMLPQSBHQ-VQTJNVASSA-N 1 3 364.436 2.726 20 0 FFADHO CN1CC2(CC1=O)CCN(C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258148117 1039229173 /nfs/dbraw/zinc/22/91/73/1039229173.db2.gz BHDBWKMZAMQHHP-UHFFFAOYSA-N 1 3 355.526 2.638 20 0 FFADHO O[C@@]1(C[NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)CCCCNC1 ZINC001246115477 1039246850 /nfs/dbraw/zinc/24/68/50/1039246850.db2.gz YZACFZPPLUALSM-UUKMXZOPSA-N 1 3 366.546 2.573 20 0 FFADHO CC1(C)C[C@@H](N[C@H]2Cc3ccc(I)cc3C2)CC[NH2+]1 ZINC001246272452 1039293417 /nfs/dbraw/zinc/29/34/17/1039293417.db2.gz PRTYDBZJUWNNEJ-GJZGRUSLSA-N 1 3 370.278 2.879 20 0 FFADHO CC1(C)C[C@@H]([NH2+][C@H]2Cc3ccc(I)cc3C2)CCN1 ZINC001246272452 1039293425 /nfs/dbraw/zinc/29/34/25/1039293425.db2.gz PRTYDBZJUWNNEJ-GJZGRUSLSA-N 1 3 370.278 2.879 20 0 FFADHO COc1cccc2c1C[C@H]([NH2+][C@H]1CCN[C@@H](Cc3ccccc3)C1)CO2 ZINC001246314928 1039310857 /nfs/dbraw/zinc/31/08/57/1039310857.db2.gz CKBRFGMDOWMZJJ-FHWLQOOXSA-N 1 3 352.478 2.952 20 0 FFADHO COc1cccc(CC2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246373801 1039328184 /nfs/dbraw/zinc/32/81/84/1039328184.db2.gz CINSIEQRLWHUFS-NVXWUHKLSA-N 1 3 371.447 2.632 20 0 FFADHO Fc1ccccc1CC1([NH2+][C@H]2CCN[C@H](C(F)(F)F)C2)CCNCC1 ZINC001246380131 1039329892 /nfs/dbraw/zinc/32/98/92/1039329892.db2.gz FMOZZNCJODKOPB-HOCLYGCPSA-N 1 3 359.411 2.763 20 0 FFADHO Fc1ccccc1CC1(N[C@H]2CCN[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246380131 1039329901 /nfs/dbraw/zinc/32/99/01/1039329901.db2.gz FMOZZNCJODKOPB-HOCLYGCPSA-N 1 3 359.411 2.763 20 0 FFADHO NC1=CC=C(C2CCN([C@H]3Cc4ccc(Br)cc4C3)CC2)[NH2+]C1 ZINC001246492856 1039370704 /nfs/dbraw/zinc/37/07/04/1039370704.db2.gz DEBWBAZKSSEKAO-SFHVURJKSA-N 1 3 374.326 2.958 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[C@@H](N)C(=O)OCc1ccccc1)C2 ZINC001246496478 1039373549 /nfs/dbraw/zinc/37/35/49/1039373549.db2.gz PZROLGSQTCRJKT-PLACYPQZSA-N 1 3 373.541 2.832 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@@H+]([C@H]4CCN[C@@H](C(C)C)C4)C[C@@H]3C2=O)c1 ZINC001246749827 1039462681 /nfs/dbraw/zinc/46/26/81/1039462681.db2.gz WXAHYJMQPBGWBW-XSDIEEQYSA-N 1 3 355.526 2.662 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@H+]([C@H]4CCN[C@@H](C(C)C)C4)C[C@@H]3C2=O)c1 ZINC001246749827 1039462685 /nfs/dbraw/zinc/46/26/85/1039462685.db2.gz WXAHYJMQPBGWBW-XSDIEEQYSA-N 1 3 355.526 2.662 20 0 FFADHO C[C@@H]1C[C@H](N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CC[NH2+]1 ZINC001246771909 1039473711 /nfs/dbraw/zinc/47/37/11/1039473711.db2.gz YWJVFAMVONXBAK-JWUVWSEFSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246771909 1039473719 /nfs/dbraw/zinc/47/37/19/1039473719.db2.gz YWJVFAMVONXBAK-JWUVWSEFSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246771909 1039473727 /nfs/dbraw/zinc/47/37/27/1039473727.db2.gz YWJVFAMVONXBAK-JWUVWSEFSA-N 1 3 371.525 2.571 20 0 FFADHO Brc1cccc([C@@H]2CN([C@H]3CCC4(C[NH2+]C4)C3)CCN2)c1 ZINC001246803349 1039484789 /nfs/dbraw/zinc/48/47/89/1039484789.db2.gz BXRANYGANKKAPK-HOTGVXAUSA-N 1 3 350.304 2.538 20 0 FFADHO CC[C@@H](C)C[C@H](CC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258789429 1039512407 /nfs/dbraw/zinc/51/24/07/1039512407.db2.gz APNXOTBGUNMPPB-CABCVRRESA-N 1 3 350.507 2.539 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210433223 1039543575 /nfs/dbraw/zinc/54/35/75/1039543575.db2.gz PGJVAUDPLSAACF-UYAOXDASSA-N 1 3 367.578 2.894 20 0 FFADHO O[C@H](COCc1ccco1)C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001252640125 1039624331 /nfs/dbraw/zinc/62/43/31/1039624331.db2.gz LLMRDGGPWXZIOP-NRFANRHFSA-N 1 3 370.493 2.680 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC001252840487 1039725768 /nfs/dbraw/zinc/72/57/68/1039725768.db2.gz AGHMZJUUVSDKBF-HLAWJBBLSA-N 1 3 362.489 2.539 20 0 FFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC001252840487 1039725784 /nfs/dbraw/zinc/72/57/84/1039725784.db2.gz AGHMZJUUVSDKBF-HLAWJBBLSA-N 1 3 362.489 2.539 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(C[C@@](C)(O)c3ccccc3)C2)C1 ZINC001253097558 1039976603 /nfs/dbraw/zinc/97/66/03/1039976603.db2.gz FWPSECMWGJSESF-YPAWHYETSA-N 1 3 358.526 2.574 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(C[C@@](C)(O)c3ccccc3)C2)C1 ZINC001253097558 1039976624 /nfs/dbraw/zinc/97/66/24/1039976624.db2.gz FWPSECMWGJSESF-YPAWHYETSA-N 1 3 358.526 2.574 20 0 FFADHO FC(F)(F)c1cc(Cl)ccc1-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247832714 1039980857 /nfs/dbraw/zinc/98/08/57/1039980857.db2.gz XZIIMVNIDNOKPZ-LLVKDONJSA-N 1 3 358.751 2.685 20 0 FFADHO CC(C)CC[C@@H](N)c1nc(-c2cccc(CN3CCN(C)CC3)c2)no1 ZINC001247852239 1039993600 /nfs/dbraw/zinc/99/36/00/1039993600.db2.gz USUFQEGFVGWKBY-GOSISDBHSA-N 1 3 357.502 2.920 20 0 FFADHO CC(C)CC[C@@H](N)c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001247852239 1039993609 /nfs/dbraw/zinc/99/36/09/1039993609.db2.gz USUFQEGFVGWKBY-GOSISDBHSA-N 1 3 357.502 2.920 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001253186919 1040028782 /nfs/dbraw/zinc/02/87/82/1040028782.db2.gz UFKVQJKOUKKUNB-KDXIVRHGSA-N 1 3 358.526 2.886 20 0 FFADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001253186919 1040028795 /nfs/dbraw/zinc/02/87/95/1040028795.db2.gz UFKVQJKOUKKUNB-KDXIVRHGSA-N 1 3 358.526 2.886 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001253193691 1040034745 /nfs/dbraw/zinc/03/47/45/1040034745.db2.gz HOGUUPCETCVIBJ-XUVXKRRUSA-N 1 3 362.514 2.500 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001253193691 1040034764 /nfs/dbraw/zinc/03/47/64/1040034764.db2.gz HOGUUPCETCVIBJ-XUVXKRRUSA-N 1 3 362.514 2.500 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253406042 1040157045 /nfs/dbraw/zinc/15/70/45/1040157045.db2.gz XMTASWYNYZUFQB-OXJNMPFZSA-N 1 3 371.566 2.752 20 0 FFADHO CN1CCC[C@H]1CC[NH2+]C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253431972 1040178815 /nfs/dbraw/zinc/17/88/15/1040178815.db2.gz DLCJQODMYWNMEP-RBUKOAKNSA-N 1 3 362.514 2.576 20 0 FFADHO Cc1nc(N2CCCCC2)sc1CN1CCC(OCC[NH+](C)C)CC1 ZINC001254011257 1040515513 /nfs/dbraw/zinc/51/55/13/1040515513.db2.gz ZDPACDZRMMZKBY-UHFFFAOYSA-N 1 3 366.575 2.984 20 0 FFADHO CCOC(=O)[C@@]1(C)CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040181 1040541271 /nfs/dbraw/zinc/54/12/71/1040541271.db2.gz RCQUILSDNDPENT-NRFANRHFSA-N 1 3 374.525 2.679 20 0 FFADHO CCOC(=O)[C@@]1(C)CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040181 1040541280 /nfs/dbraw/zinc/54/12/80/1040541280.db2.gz RCQUILSDNDPENT-NRFANRHFSA-N 1 3 374.525 2.679 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434463 1040550397 /nfs/dbraw/zinc/55/03/97/1040550397.db2.gz CWLVYLKWNQJTLW-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(CCC2CCCC2)C[C@H]1OC)C(C)C ZINC001213592593 1040698781 /nfs/dbraw/zinc/69/87/81/1040698781.db2.gz AWDYTEVWQFQCJV-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213592618 1040698932 /nfs/dbraw/zinc/69/89/32/1040698932.db2.gz BLERNFKMHZCBCQ-QRVBRYPASA-N 1 3 355.567 2.749 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254691718 1040885987 /nfs/dbraw/zinc/88/59/87/1040885987.db2.gz WGCDQICEIUCUKX-ARFHVFGLSA-N 1 3 369.575 2.944 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254691718 1040885994 /nfs/dbraw/zinc/88/59/94/1040885994.db2.gz WGCDQICEIUCUKX-ARFHVFGLSA-N 1 3 369.575 2.944 20 0 FFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254814662 1040975900 /nfs/dbraw/zinc/97/59/00/1040975900.db2.gz ZADAWZRXSCRZOV-YESZJQIVSA-N 1 3 367.534 2.617 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931048 1041079793 /nfs/dbraw/zinc/07/97/93/1041079793.db2.gz APXBZORVFRYHSC-QSMUSEHHSA-N 1 3 365.562 2.669 20 0 FFADHO COc1cccc([C@@H](O)C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001250707880 1041317743 /nfs/dbraw/zinc/31/77/43/1041317743.db2.gz XJFDUUDDFAXUKX-SFTDATJTSA-N 1 3 362.514 2.551 20 0 FFADHO COc1cccc([C@@H](O)C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c1 ZINC001250707880 1041317750 /nfs/dbraw/zinc/31/77/50/1041317750.db2.gz XJFDUUDDFAXUKX-SFTDATJTSA-N 1 3 362.514 2.551 20 0 FFADHO O[C@H](COc1cccc(F)c1)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001250800558 1041370840 /nfs/dbraw/zinc/37/08/40/1041370840.db2.gz FVNNXTCPMQBCEO-ZVDOUQERSA-N 1 3 370.468 2.629 20 0 FFADHO O[C@H](COc1cccc(F)c1)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001250800558 1041370847 /nfs/dbraw/zinc/37/08/47/1041370847.db2.gz FVNNXTCPMQBCEO-ZVDOUQERSA-N 1 3 370.468 2.629 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1cccc(F)c1 ZINC001250822933 1041386027 /nfs/dbraw/zinc/38/60/27/1041386027.db2.gz VLVTVQOHTZQZFV-AZUAARDMSA-N 1 3 358.457 2.677 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc(F)c1 ZINC001250822933 1041386030 /nfs/dbraw/zinc/38/60/30/1041386030.db2.gz VLVTVQOHTZQZFV-AZUAARDMSA-N 1 3 358.457 2.677 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001214634403 1041513330 /nfs/dbraw/zinc/51/33/30/1041513330.db2.gz MZCOUSIBOVFZPS-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001214757243 1041563837 /nfs/dbraw/zinc/56/38/37/1041563837.db2.gz FUGPASDWXWITBE-FHLIZLRMSA-N 1 3 369.912 2.956 20 0 FFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847686 1041592208 /nfs/dbraw/zinc/59/22/08/1041592208.db2.gz NZRFNIXIIOCDGP-UYAOXDASSA-N 1 3 357.542 2.848 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001214847630 1041592688 /nfs/dbraw/zinc/59/26/88/1041592688.db2.gz LWWPTVKUNROPJZ-UYAOXDASSA-N 1 3 357.542 2.930 20 0 FFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001214905107 1041614824 /nfs/dbraw/zinc/61/48/24/1041614824.db2.gz YOGLHAHCONPCKR-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001214905000 1041614826 /nfs/dbraw/zinc/61/48/26/1041614826.db2.gz TXIBRBWECUFJDA-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO CC[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccc(F)cc1F ZINC001215462965 1041791824 /nfs/dbraw/zinc/79/18/24/1041791824.db2.gz DEMMXHKFIIQTFR-JEBQAFNWSA-N 1 3 353.457 2.804 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001215567615 1041829662 /nfs/dbraw/zinc/82/96/62/1041829662.db2.gz AHFHVXQIPBIOCP-BZUAXINKSA-N 1 3 359.505 2.836 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)c(C)n1 ZINC001215563718 1041829837 /nfs/dbraw/zinc/82/98/37/1041829837.db2.gz MMVBJGAOHMJEQA-DNVCBOLYSA-N 1 3 360.546 2.613 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncccc2C)C1 ZINC001215973247 1041920354 /nfs/dbraw/zinc/92/03/54/1041920354.db2.gz YWDQDVJZWVMIOP-UYAOXDASSA-N 1 3 360.546 2.839 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2scnc2C)C1)C(C)C ZINC001215977256 1041922039 /nfs/dbraw/zinc/92/20/39/1041922039.db2.gz LLXHHHFXKXLFQX-QGPMSJSTSA-N 1 3 366.575 2.754 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001215989443 1041924566 /nfs/dbraw/zinc/92/45/66/1041924566.db2.gz BYZHWDAKXZDPBV-HBUWYVDXSA-N 1 3 353.457 2.804 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2c(F)cccc2Cl)C1 ZINC001216001659 1041928402 /nfs/dbraw/zinc/92/84/02/1041928402.db2.gz HQGQTKHCJMIZLB-RDTXWAMCSA-N 1 3 369.912 2.800 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCCNC2 ZINC001263111855 1042109504 /nfs/dbraw/zinc/10/95/04/1042109504.db2.gz QVHIAUTYRKLVCY-UHFFFAOYSA-N 1 3 371.456 2.512 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1c1ccccc1)N(C)C ZINC001263884668 1042507692 /nfs/dbraw/zinc/50/76/92/1042507692.db2.gz XTKFBSUJNJOSBJ-HBMCJLEFSA-N 1 3 357.542 2.957 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1c1ccccc1)N(C)C ZINC001263884668 1042507696 /nfs/dbraw/zinc/50/76/96/1042507696.db2.gz XTKFBSUJNJOSBJ-HBMCJLEFSA-N 1 3 357.542 2.957 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC001264002085 1042575498 /nfs/dbraw/zinc/57/54/98/1042575498.db2.gz UPURMNHZPFVQQU-MJGOQNOKSA-N 1 3 370.497 2.638 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]2C1 ZINC001264658391 1042775133 /nfs/dbraw/zinc/77/51/33/1042775133.db2.gz KGLRRXHWEJYBED-UXHICEINSA-N 1 3 368.525 2.788 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]2C1 ZINC001264658391 1042775140 /nfs/dbraw/zinc/77/51/40/1042775140.db2.gz KGLRRXHWEJYBED-UXHICEINSA-N 1 3 368.525 2.788 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2cc(C)ccc2F)C2CC2)CC[N@@H+]1C ZINC001265355955 1042853668 /nfs/dbraw/zinc/85/36/68/1042853668.db2.gz GQRIFKILHSIMNA-DFQSSKMNSA-N 1 3 361.505 2.849 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2cc(C)ccc2F)C2CC2)CC[N@H+]1C ZINC001265355955 1042853671 /nfs/dbraw/zinc/85/36/71/1042853671.db2.gz GQRIFKILHSIMNA-DFQSSKMNSA-N 1 3 361.505 2.849 20 0 FFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3scc4c3OCCO4)(C1)CCC2 ZINC001279135162 1042914252 /nfs/dbraw/zinc/91/42/52/1042914252.db2.gz GSGVGVCDIZWWQT-RBUKOAKNSA-N 1 3 365.543 2.606 20 0 FFADHO COCCOCN1CCCC2(CCN(CCC[NH+]3CCCCC3)CC2)C1 ZINC001279275293 1042979135 /nfs/dbraw/zinc/97/91/35/1042979135.db2.gz JCWKYVQOROKXPP-UHFFFAOYSA-N 1 3 367.578 2.661 20 0 FFADHO O=c1[nH]cc(C[N@H+]2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)c(=O)[nH]1 ZINC001279307622 1042993730 /nfs/dbraw/zinc/99/37/30/1042993730.db2.gz BRSWRTMDAPVOHD-INIZCTEOSA-N 1 3 374.407 2.518 20 0 FFADHO O=c1[nH]cc(C[N@@H+]2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)c(=O)[nH]1 ZINC001279307622 1042993731 /nfs/dbraw/zinc/99/37/31/1042993731.db2.gz BRSWRTMDAPVOHD-INIZCTEOSA-N 1 3 374.407 2.518 20 0 FFADHO Cc1cc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1Br ZINC001279393592 1043050237 /nfs/dbraw/zinc/05/02/37/1043050237.db2.gz XWAAJSVLPMIXKO-ROUUACIJSA-N 1 3 366.347 2.968 20 0 FFADHO O=c1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cncc(F)c2)CC3)[nH]1 ZINC001279413868 1043080554 /nfs/dbraw/zinc/08/05/54/1043080554.db2.gz RJCSMGYKAFHTDA-UHFFFAOYSA-N 1 3 356.445 2.809 20 0 FFADHO O=c1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cncc(F)c2)CC3)[nH]1 ZINC001279413868 1043080563 /nfs/dbraw/zinc/08/05/63/1043080563.db2.gz RJCSMGYKAFHTDA-UHFFFAOYSA-N 1 3 356.445 2.809 20 0 FFADHO CSc1ccccc1C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001279414665 1043082420 /nfs/dbraw/zinc/08/24/20/1043082420.db2.gz MMUCHSMJHCGREE-UHFFFAOYSA-N 1 3 361.555 2.785 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)CCCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001279502191 1043197486 /nfs/dbraw/zinc/19/74/86/1043197486.db2.gz ODCJJNSQNZZKAC-WOJBJXKFSA-N 1 3 357.542 2.775 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)CCCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001279502191 1043197489 /nfs/dbraw/zinc/19/74/89/1043197489.db2.gz ODCJJNSQNZZKAC-WOJBJXKFSA-N 1 3 357.542 2.775 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1c[nH]c(Br)c1)C2 ZINC001279504617 1043198703 /nfs/dbraw/zinc/19/87/03/1043198703.db2.gz HZMSQBSPDHKYRC-QGZVFWFLSA-N 1 3 369.351 2.627 20 0 FFADHO COc1c(F)cc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cc1F ZINC001279562327 1043260207 /nfs/dbraw/zinc/26/02/07/1043260207.db2.gz AJQGBDZOVNDICY-FQEVSTJZSA-N 1 3 367.484 2.823 20 0 FFADHO CCOc1ncc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1C ZINC001279582611 1043291553 /nfs/dbraw/zinc/29/15/53/1043291553.db2.gz LJWCPUZLIUAGIR-RTWAWAEBSA-N 1 3 360.546 2.875 20 0 FFADHO CCOc1ccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c(C)n1 ZINC001279584088 1043295831 /nfs/dbraw/zinc/29/58/31/1043295831.db2.gz LSQNADZGYVUCNY-RTWAWAEBSA-N 1 3 360.546 2.875 20 0 FFADHO CN(C)c1ccccc1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001279620724 1043355116 /nfs/dbraw/zinc/35/51/16/1043355116.db2.gz YTIDXSQLBPLVBP-UHFFFAOYSA-N 1 3 353.514 2.964 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccc(Cl)nc3)CC2)C1 ZINC001279649584 1043400555 /nfs/dbraw/zinc/40/05/55/1043400555.db2.gz FEHGTRFSNGGZIR-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccc(Cl)nc3)CC2)C1 ZINC001279649584 1043400559 /nfs/dbraw/zinc/40/05/59/1043400559.db2.gz FEHGTRFSNGGZIR-UHFFFAOYSA-N 1 3 350.938 2.975 20 0 FFADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1[nH]nc2c1cccc2C ZINC001279651245 1043404214 /nfs/dbraw/zinc/40/42/14/1043404214.db2.gz BXHJYBIIAKLAEC-ALOPSCKCSA-N 1 3 358.486 2.577 20 0 FFADHO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1[nH]nc2c1cccc2C ZINC001279651245 1043404220 /nfs/dbraw/zinc/40/42/20/1043404220.db2.gz BXHJYBIIAKLAEC-ALOPSCKCSA-N 1 3 358.486 2.577 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC001279664259 1043427565 /nfs/dbraw/zinc/42/75/65/1043427565.db2.gz ZIPLMOKOWNLSKO-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC001279664259 1043427573 /nfs/dbraw/zinc/42/75/73/1043427573.db2.gz ZIPLMOKOWNLSKO-UHFFFAOYSA-N 1 3 350.510 2.818 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cnn4ccccc34)CC2)C1 ZINC001279714917 1043514888 /nfs/dbraw/zinc/51/48/88/1043514888.db2.gz AEYNNLRBTCMURF-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cnn4ccccc34)CC2)C1 ZINC001279714917 1043514895 /nfs/dbraw/zinc/51/48/95/1043514895.db2.gz AEYNNLRBTCMURF-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)c[nH]3)C[C@H]2CC1 ZINC001279718849 1043521780 /nfs/dbraw/zinc/52/17/80/1043521780.db2.gz NPYXSOWAASKQSW-CALCHBBNSA-N 1 3 360.546 2.544 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)c[nH]3)C[C@H]2CC1 ZINC001279718849 1043521788 /nfs/dbraw/zinc/52/17/88/1043521788.db2.gz NPYXSOWAASKQSW-CALCHBBNSA-N 1 3 360.546 2.544 20 0 FFADHO O=C(C1CCN(C2CC[NH+](CCc3cccs3)CC2)CC1)N1CC=CC1 ZINC001279734189 1043553571 /nfs/dbraw/zinc/55/35/71/1043553571.db2.gz VEXRWQLUOIRPLO-UHFFFAOYSA-N 1 3 373.566 2.865 20 0 FFADHO C[NH+](C)Cc1ccccc1N1CC[C@H]2CN(Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001279762415 1043602704 /nfs/dbraw/zinc/60/27/04/1043602704.db2.gz ITFWGZHEHOSVEU-FXAWDEMLSA-N 1 3 352.482 2.560 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)c1ccc2c(n1)CCN(C[C@@H]1C[C@@H]1C)C2 ZINC001279825157 1043717908 /nfs/dbraw/zinc/71/79/08/1043717908.db2.gz CUTLDGAHBITCFY-WMZOPIPTSA-N 1 3 358.530 2.510 20 0 FFADHO O=C(NCC(F)F)[C@@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2 ZINC001279842472 1043757937 /nfs/dbraw/zinc/75/79/37/1043757937.db2.gz CUHBIQUECXFTRK-LPHOPBHVSA-N 1 3 357.489 2.736 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(CCc1cc(F)cc(F)c1)CC2 ZINC001278245529 1043759062 /nfs/dbraw/zinc/75/90/62/1043759062.db2.gz DQLDIWRXTXZNLT-UHFFFAOYSA-N 1 3 351.485 2.857 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(CCc1cc(F)cc(F)c1)CC2 ZINC001278245529 1043759067 /nfs/dbraw/zinc/75/90/67/1043759067.db2.gz DQLDIWRXTXZNLT-UHFFFAOYSA-N 1 3 351.485 2.857 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(Cc1ccc(C)cc1C)C2 ZINC001279993866 1044056552 /nfs/dbraw/zinc/05/65/52/1044056552.db2.gz UQWCNJMDRZQPGT-HXUWFJFHSA-N 1 3 357.542 2.926 20 0 FFADHO Cc1ccc(C)c(CN2CC3(C[C@H]3C(=O)N3CCC([NH+](C)C)CC3)C2)c1 ZINC001279995220 1044058088 /nfs/dbraw/zinc/05/80/88/1044058088.db2.gz STESYKMZEHLJQL-FQEVSTJZSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1ccc(C)c(CN2CC3(C[C@@H]3C(=O)N3CCC([NH+](C)C)CC3)C2)c1 ZINC001279995222 1044058234 /nfs/dbraw/zinc/05/82/34/1044058234.db2.gz STESYKMZEHLJQL-HXUWFJFHSA-N 1 3 355.526 2.678 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1c(Cl)cccc1Cl ZINC001239213481 1044072533 /nfs/dbraw/zinc/07/25/33/1044072533.db2.gz CMLRHWRRIFMPEC-NSHDSACASA-N 1 3 357.285 2.989 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(C(F)(F)F)cc1 ZINC001239217040 1044073812 /nfs/dbraw/zinc/07/38/12/1044073812.db2.gz QLUPKTAGLDBOPC-CQSZACIVSA-N 1 3 356.392 2.701 20 0 FFADHO NCCC[NH2+]CCCNC(=O)Nc1ccc(Br)cc1Cl ZINC001239252482 1044086224 /nfs/dbraw/zinc/08/62/24/1044086224.db2.gz DUWOHBLXRKFGRW-UHFFFAOYSA-N 1 3 363.687 2.553 20 0 FFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312816240 1044174514 /nfs/dbraw/zinc/17/45/14/1044174514.db2.gz SIBLUDHRSJPNTB-AZUAARDMSA-N 1 3 360.546 2.989 20 0 FFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312816240 1044174515 /nfs/dbraw/zinc/17/45/15/1044174515.db2.gz SIBLUDHRSJPNTB-AZUAARDMSA-N 1 3 360.546 2.989 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3ccc(C)cc3F)(C1)C2 ZINC001280088098 1044189579 /nfs/dbraw/zinc/18/95/79/1044189579.db2.gz NCTMUWKZPNXYDL-UHFFFAOYSA-N 1 3 361.505 2.947 20 0 FFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC001313007418 1044208900 /nfs/dbraw/zinc/20/89/00/1044208900.db2.gz FANMWJHYSMHUHT-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CS(=O)(=O)Nc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001240331652 1044316606 /nfs/dbraw/zinc/31/66/06/1044316606.db2.gz JPITZDQAXXPHCY-UHFFFAOYSA-N 1 3 359.495 2.648 20 0 FFADHO O=c1cccc(CN2CC[C@]3(C2)CCC[N@H+](CCN2CCCCC2)C3)[nH]1 ZINC001280263657 1044498308 /nfs/dbraw/zinc/49/83/08/1044498308.db2.gz ZGIXIESINSVECN-OAQYLSRUSA-N 1 3 358.530 2.561 20 0 FFADHO O=c1cccc(CN2CC[C@]3(C2)CCC[N@@H+](CCN2CCCCC2)C3)[nH]1 ZINC001280263657 1044498309 /nfs/dbraw/zinc/49/83/09/1044498309.db2.gz ZGIXIESINSVECN-OAQYLSRUSA-N 1 3 358.530 2.561 20 0 FFADHO CN1CC=C(c2cncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)CC1 ZINC001241327852 1044501433 /nfs/dbraw/zinc/50/14/33/1044501433.db2.gz SPZFKCGFXFAGTB-UHFFFAOYSA-N 1 3 354.498 2.501 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(CCCc1ccccc1)C2 ZINC001280279198 1044528932 /nfs/dbraw/zinc/52/89/32/1044528932.db2.gz SYQNVYNTGSDZJG-HXUWFJFHSA-N 1 3 357.542 2.741 20 0 FFADHO CN1C[C@@H](C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1=O ZINC000639321992 1044811980 /nfs/dbraw/zinc/81/19/80/1044811980.db2.gz QTAJQQUQVVTVMY-KNQAVFIVSA-N 1 3 357.542 2.993 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC001318703489 1044821480 /nfs/dbraw/zinc/82/14/80/1044821480.db2.gz YQOHHDCBEGJYLQ-UXHICEINSA-N 1 3 358.530 2.607 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319008497 1044981062 /nfs/dbraw/zinc/98/10/62/1044981062.db2.gz FGBVFXRAGYQIIN-SJORKVTESA-N 1 3 352.548 2.694 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1N(C)C ZINC001316796546 1045009933 /nfs/dbraw/zinc/00/99/33/1045009933.db2.gz MUIUJJWGSFDPFL-MJGOQNOKSA-N 1 3 360.546 2.564 20 0 FFADHO c1cc2ccc(C[NH+]3CCC4(CCN(Cc5cn[nH]c5)C4)CC3)nc2[nH]1 ZINC001278376612 1045080446 /nfs/dbraw/zinc/08/04/46/1045080446.db2.gz GCTCGUGLQRTECD-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO COc1ccc(C(C)C)cc1CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317589857 1045114552 /nfs/dbraw/zinc/11/45/52/1045114552.db2.gz UZITYZVOJAPPRX-VQIMIIECSA-N 1 3 361.530 2.707 20 0 FFADHO COc1ccc(C(C)C)cc1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317589857 1045114559 /nfs/dbraw/zinc/11/45/59/1045114559.db2.gz UZITYZVOJAPPRX-VQIMIIECSA-N 1 3 361.530 2.707 20 0 FFADHO Cc1csc(CNCC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001319753027 1045263098 /nfs/dbraw/zinc/26/30/98/1045263098.db2.gz XFAUWSWNTIQZFP-IXDOHACOSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1csc(CNCC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001319753027 1045263107 /nfs/dbraw/zinc/26/31/07/1045263107.db2.gz XFAUWSWNTIQZFP-IXDOHACOSA-N 1 3 364.559 2.653 20 0 FFADHO CCc1onc(C)c1CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001319914083 1045300995 /nfs/dbraw/zinc/30/09/95/1045300995.db2.gz BQRSKMCPUPLIBB-CGTJXYLNSA-N 1 3 364.534 2.506 20 0 FFADHO CCc1onc(C)c1CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001319914083 1045301002 /nfs/dbraw/zinc/30/10/02/1045301002.db2.gz BQRSKMCPUPLIBB-CGTJXYLNSA-N 1 3 364.534 2.506 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)cc1 ZINC001319963272 1045314970 /nfs/dbraw/zinc/31/49/70/1045314970.db2.gz XQEKIMQYNYMUPV-LJQANCHMSA-N 1 3 370.541 2.863 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2)cc1 ZINC001319963272 1045314975 /nfs/dbraw/zinc/31/49/75/1045314975.db2.gz XQEKIMQYNYMUPV-LJQANCHMSA-N 1 3 370.541 2.863 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[Si](C)(C)c3ccccc3)CC2)CC1 ZINC001321342200 1045633246 /nfs/dbraw/zinc/63/32/46/1045633246.db2.gz YLXXRVXHVUUFBP-UHFFFAOYSA-N 1 3 359.634 2.632 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322741144 1046206130 /nfs/dbraw/zinc/20/61/30/1046206130.db2.gz TYEYVTCIIXOUAI-MOPGFXCFSA-N 1 3 364.509 2.772 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001325355355 1046481177 /nfs/dbraw/zinc/48/11/77/1046481177.db2.gz WLDGXYUVVVMDPO-ICSRJNTNSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC=C(Cl)Cl)C(C)(C)C)CC[N@@H+]1C ZINC001284589376 1046582785 /nfs/dbraw/zinc/58/27/85/1046582785.db2.gz IZWHLQARPAKYDV-JHJVBQTASA-N 1 3 350.334 2.766 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC=C(Cl)Cl)C(C)(C)C)CC[N@H+]1C ZINC001284589376 1046582794 /nfs/dbraw/zinc/58/27/94/1046582794.db2.gz IZWHLQARPAKYDV-JHJVBQTASA-N 1 3 350.334 2.766 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327091188 1047185952 /nfs/dbraw/zinc/18/59/52/1047185952.db2.gz YYYOQCDSJCMWAM-IRXDYDNUSA-N 1 3 359.514 2.727 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CCn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC001291139463 1048618112 /nfs/dbraw/zinc/61/81/12/1048618112.db2.gz CVEVMMRZCNSAQZ-QGZVFWFLSA-N 1 3 374.577 2.592 20 0 FFADHO C[C@@H]1CCC[N@H+]1CCn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C ZINC001291139463 1048618115 /nfs/dbraw/zinc/61/81/15/1048618115.db2.gz CVEVMMRZCNSAQZ-QGZVFWFLSA-N 1 3 374.577 2.592 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001329252021 1048635692 /nfs/dbraw/zinc/63/56/92/1048635692.db2.gz IVRLBSQEJFXTCU-HOJAQTOUSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001329252021 1048635702 /nfs/dbraw/zinc/63/57/02/1048635702.db2.gz IVRLBSQEJFXTCU-HOJAQTOUSA-N 1 3 356.514 2.702 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC001329251526 1048636138 /nfs/dbraw/zinc/63/61/38/1048636138.db2.gz FOSMYDKDVJVGKO-PMACEKPBSA-N 1 3 358.530 2.731 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC001329251526 1048636144 /nfs/dbraw/zinc/63/61/44/1048636144.db2.gz FOSMYDKDVJVGKO-PMACEKPBSA-N 1 3 358.530 2.731 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(c4ccc(F)cc4)C3)CC2)CC1 ZINC001329915840 1048965759 /nfs/dbraw/zinc/96/57/59/1048965759.db2.gz MKUFAERXSSHHGT-UHFFFAOYSA-N 1 3 373.516 2.948 20 0 FFADHO Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CC[C@@H](CC[NH3+])C2)cs1 ZINC001334337435 1049378418 /nfs/dbraw/zinc/37/84/18/1049378418.db2.gz JMXOSDIQUIBCOG-OAHLLOKOSA-N 1 3 370.522 2.678 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001316652740 1049489465 /nfs/dbraw/zinc/48/94/65/1049489465.db2.gz PDSKUEUQLDCEQF-ZWKOTPCHSA-N 1 3 359.514 2.554 20 0 FFADHO CC(C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCN1CC=CCC1 ZINC001541354798 1071085173 /nfs/dbraw/zinc/08/51/73/1071085173.db2.gz IQNXIFLIWPBRIV-IBGZPJMESA-N 1 3 372.561 2.728 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CCCCC[NH+]2CCCC2)C[C@H]1C ZINC001295981874 1050009088 /nfs/dbraw/zinc/00/90/88/1050009088.db2.gz SGTBPMYCOLOGTD-QZTJIDSGSA-N 1 3 362.566 2.772 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](N)C3CCCCCC3)nc2)CC1 ZINC001341634166 1050258542 /nfs/dbraw/zinc/25/85/42/1050258542.db2.gz LTESHYHWEVNGCO-HXUWFJFHSA-N 1 3 373.545 2.848 20 0 FFADHO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001541850247 1071147538 /nfs/dbraw/zinc/14/75/38/1071147538.db2.gz NDOZHBGDGSRCGJ-INIZCTEOSA-N 1 3 362.566 2.806 20 0 FFADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001316664413 1050471983 /nfs/dbraw/zinc/47/19/83/1050471983.db2.gz PMYNWRJWVBLAPN-WMLDXEAASA-N 1 3 353.457 2.681 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC[NH2+]CC1 ZINC001340298686 1050698291 /nfs/dbraw/zinc/69/82/91/1050698291.db2.gz WCXUTGMTKVQKPW-UHFFFAOYSA-N 1 3 369.431 2.905 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001301867595 1051007488 /nfs/dbraw/zinc/00/74/88/1051007488.db2.gz NUGMCPDOUAWQLH-COPCDDAFSA-N 1 3 355.526 2.699 20 0 FFADHO [NH3+]CC[C@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)c2ccccc21 ZINC001340775717 1051125496 /nfs/dbraw/zinc/12/54/96/1051125496.db2.gz BEXNVISXBWDZHD-KRWDZBQOSA-N 1 3 357.498 2.501 20 0 FFADHO O=C(NC1(C2CC[NH2+]CC2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001343039959 1051657275 /nfs/dbraw/zinc/65/72/75/1051657275.db2.gz DRCWGUOXAMXBER-KRWDZBQOSA-N 1 3 359.489 2.686 20 0 FFADHO Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001304851382 1051739101 /nfs/dbraw/zinc/73/91/01/1051739101.db2.gz MFTOENPSSOQDIW-UHFFFAOYSA-N 1 3 362.566 2.772 20 0 FFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC001341470535 1051827330 /nfs/dbraw/zinc/82/73/30/1051827330.db2.gz WZKVOPOLGXQJOH-UGKGYDQZSA-N 1 3 365.477 2.734 20 0 FFADHO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC001345192778 1052311573 /nfs/dbraw/zinc/31/15/73/1052311573.db2.gz PXVZQTGERJRHDJ-SFHVURJKSA-N 1 3 371.525 2.576 20 0 FFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(N(C)CCCO)CC1 ZINC001308624625 1052478344 /nfs/dbraw/zinc/47/83/44/1052478344.db2.gz RVWABEPVABUNBH-QGZVFWFLSA-N 1 3 371.566 2.562 20 0 FFADHO Ic1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001308966191 1052528246 /nfs/dbraw/zinc/52/82/46/1052528246.db2.gz OQWYMHCLAFHRAB-CQSZACIVSA-N 1 3 356.251 2.723 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@]12CC[NH2+]C2)c1ccsc1 ZINC001336726535 1054170146 /nfs/dbraw/zinc/17/01/46/1054170146.db2.gz HIKUTSJZZZPCDY-SJLPKXTDSA-N 1 3 350.532 2.669 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccsc1 ZINC001336748893 1054190500 /nfs/dbraw/zinc/19/05/00/1054190500.db2.gz JMFMQNIGIQAIMT-HLLBOEOZSA-N 1 3 352.548 2.757 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ncccc3C)CC2)CC1 ZINC001336769478 1054210743 /nfs/dbraw/zinc/21/07/43/1054210743.db2.gz ZTDYIPSNFCGSJB-KRWDZBQOSA-N 1 3 358.530 2.764 20 0 FFADHO COc1ccccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849055883 1055605768 /nfs/dbraw/zinc/60/57/68/1055605768.db2.gz IVADIQVKECPEJM-UHFFFAOYSA-N 1 3 352.482 2.974 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000849088610 1055634626 /nfs/dbraw/zinc/63/46/26/1055634626.db2.gz PNSNBIAOMOJQCG-SFTDATJTSA-N 1 3 366.509 2.985 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCC[NH2+]C3)N(C)C)cc1 ZINC001357368665 1055881477 /nfs/dbraw/zinc/88/14/77/1055881477.db2.gz QMNMWASUUOVVBH-LJQANCHMSA-N 1 3 353.466 2.510 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001352869557 1055882521 /nfs/dbraw/zinc/88/25/21/1055882521.db2.gz WZEXOKWHMQMRMV-SFHVURJKSA-N 1 3 353.457 2.728 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001357491002 1055923020 /nfs/dbraw/zinc/92/30/20/1055923020.db2.gz PQUGMGFSAABIAC-NUJGCVRESA-N 1 3 357.498 2.646 20 0 FFADHO CN(CC(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)CC(C)(C)C ZINC001449370043 1058902527 /nfs/dbraw/zinc/90/25/27/1058902527.db2.gz AHUQTFGIYPUTTP-GOSISDBHSA-N 1 3 369.594 2.684 20 0 FFADHO CCC[NH+]1CCC(Cn2c(C)nnc2N2C[C@H](C)N(CC)C[C@H]2C)CC1 ZINC001547167882 1071927989 /nfs/dbraw/zinc/92/79/89/1071927989.db2.gz FQHGLVMZAADBAH-DLBZAZTESA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001547635135 1071979416 /nfs/dbraw/zinc/97/94/16/1071979416.db2.gz CJBYOESKNXUOAQ-KSZLIROESA-N 1 3 362.566 2.770 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001547635135 1071979423 /nfs/dbraw/zinc/97/94/23/1071979423.db2.gz CJBYOESKNXUOAQ-KSZLIROESA-N 1 3 362.566 2.770 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC001461170948 1061235572 /nfs/dbraw/zinc/23/55/72/1061235572.db2.gz FFVFDMUJSHKFHB-GOSISDBHSA-N 1 3 353.514 2.507 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[NH+]3CCC(C)CC3)C2)cc1 ZINC001477295783 1061658957 /nfs/dbraw/zinc/65/89/57/1061658957.db2.gz QHZCNAUFSHVMEZ-HXUWFJFHSA-N 1 3 358.530 2.600 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[NH+]3CCC(C)CC3)C2)cc1 ZINC001477295781 1061659542 /nfs/dbraw/zinc/65/95/42/1061659542.db2.gz QHZCNAUFSHVMEZ-FQEVSTJZSA-N 1 3 358.530 2.600 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC001478704285 1062089182 /nfs/dbraw/zinc/08/91/82/1062089182.db2.gz YHERRQYQPKLQBK-AEFFLSMTSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC001478704285 1062089198 /nfs/dbraw/zinc/08/91/98/1062089198.db2.gz YHERRQYQPKLQBK-AEFFLSMTSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001478962498 1062163479 /nfs/dbraw/zinc/16/34/79/1062163479.db2.gz SHKYDNUFSZVCCL-RLLQIKCJSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001478962498 1062163493 /nfs/dbraw/zinc/16/34/93/1062163493.db2.gz SHKYDNUFSZVCCL-RLLQIKCJSA-N 1 3 372.557 2.927 20 0 FFADHO Cc1nocc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001479573577 1062565324 /nfs/dbraw/zinc/56/53/24/1062565324.db2.gz ZTDNZXFICMMBLD-QAPCUYQASA-N 1 3 364.534 2.678 20 0 FFADHO Cc1nocc1CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001479573577 1062565344 /nfs/dbraw/zinc/56/53/44/1062565344.db2.gz ZTDNZXFICMMBLD-QAPCUYQASA-N 1 3 364.534 2.678 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001441309075 1063420799 /nfs/dbraw/zinc/42/07/99/1063420799.db2.gz JLAUACJIVYKOTP-QGZVFWFLSA-N 1 3 353.576 2.585 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001441309075 1063420805 /nfs/dbraw/zinc/42/08/05/1063420805.db2.gz JLAUACJIVYKOTP-QGZVFWFLSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCc3ccccc3)CCN(C)C)C[N@@H+]2C1 ZINC001441721610 1063467807 /nfs/dbraw/zinc/46/78/07/1063467807.db2.gz DBBRHTSMJQEIDV-GIVPXCGWSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCc3ccccc3)CCN(C)C)C[N@H+]2C1 ZINC001441721610 1063467817 /nfs/dbraw/zinc/46/78/17/1063467817.db2.gz DBBRHTSMJQEIDV-GIVPXCGWSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H](CN(C)CCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498287602 1063801271 /nfs/dbraw/zinc/80/12/71/1063801271.db2.gz IGEKWQVJFXUIDE-RRFJBIMHSA-N 1 3 369.912 2.798 20 0 FFADHO C[C@@H](CN(C)CCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498287602 1063801284 /nfs/dbraw/zinc/80/12/84/1063801284.db2.gz IGEKWQVJFXUIDE-RRFJBIMHSA-N 1 3 369.912 2.798 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCN1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001467668014 1063811483 /nfs/dbraw/zinc/81/14/83/1063811483.db2.gz NMUOMFBVKRBBRH-QZTJIDSGSA-N 1 3 352.567 2.915 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC001470632288 1064388548 /nfs/dbraw/zinc/38/85/48/1064388548.db2.gz LUQPXKWWWGJVQF-UHFFFAOYSA-N 1 3 366.509 2.759 20 0 FFADHO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105585 1064559670 /nfs/dbraw/zinc/55/96/70/1064559670.db2.gz QWBREKNEAGLETI-HKBOAZHASA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001471105585 1064559682 /nfs/dbraw/zinc/55/96/82/1064559682.db2.gz QWBREKNEAGLETI-HKBOAZHASA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)(N)c1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)on1 ZINC001575366772 1078133667 /nfs/dbraw/zinc/13/36/67/1078133667.db2.gz YVGDNVVTDXTARM-OAQYLSRUSA-N 1 3 354.498 2.966 20 0 FFADHO CC(C)(N)c1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)on1 ZINC001575366772 1078133669 /nfs/dbraw/zinc/13/36/69/1078133669.db2.gz YVGDNVVTDXTARM-OAQYLSRUSA-N 1 3 354.498 2.966 20 0 FFADHO CC(C)Cc1nnc(N2CCC[C@H]([NH3+])C2)n1CCN(C)Cc1ccccc1 ZINC001575662080 1078160888 /nfs/dbraw/zinc/16/08/88/1078160888.db2.gz BJGSUFSWDAMSGJ-IBGZPJMESA-N 1 3 370.545 2.536 20 0 FFADHO C[C@H]([NH3+])C1CCN(Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)CC1 ZINC001576119919 1078197790 /nfs/dbraw/zinc/19/77/90/1078197790.db2.gz MWALCTSKPDVIKP-LBPRGKRZSA-N 1 3 355.429 2.629 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001474437263 1065522146 /nfs/dbraw/zinc/52/21/46/1065522146.db2.gz VYBAUBMWLNWUBW-FQEVSTJZSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001474437263 1065522155 /nfs/dbraw/zinc/52/21/55/1065522155.db2.gz VYBAUBMWLNWUBW-FQEVSTJZSA-N 1 3 353.466 2.501 20 0 FFADHO CC(C)CCN1CCC([NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001474660189 1065572073 /nfs/dbraw/zinc/57/20/73/1065572073.db2.gz FCUYAUOFIAQIDL-GOSISDBHSA-N 1 3 369.550 2.722 20 0 FFADHO CC[C@H](C)c1nnc(N2CC[NH2+]CC2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001577032626 1078296839 /nfs/dbraw/zinc/29/68/39/1078296839.db2.gz SHNGSIRKHHKNBX-DLBZAZTESA-N 1 3 372.517 2.631 20 0 FFADHO CCC[C@H]1CNCCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001577383819 1078346185 /nfs/dbraw/zinc/34/61/85/1078346185.db2.gz QNAQZJWRDUGSFB-PMACEKPBSA-N 1 3 358.530 2.997 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NC3(C[NH3+])CCCCC3)c2)CC1 ZINC001577781888 1078400418 /nfs/dbraw/zinc/40/04/18/1078400418.db2.gz SIHMJKJOZPRNAG-UHFFFAOYSA-N 1 3 359.518 2.612 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001578380972 1078467347 /nfs/dbraw/zinc/46/73/47/1078467347.db2.gz JOQZOFVCOTYXCY-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc3c(s2)CCNC3)CC1 ZINC001578525304 1078487681 /nfs/dbraw/zinc/48/76/81/1078487681.db2.gz VEUNXQSQVHBXAB-UHFFFAOYSA-N 1 3 359.495 2.723 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc(Cl)n1 ZINC001579571837 1078643857 /nfs/dbraw/zinc/64/38/57/1078643857.db2.gz YGXLOYJKVCNATA-HOTGVXAUSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc(Cl)n1 ZINC001579571837 1078643862 /nfs/dbraw/zinc/64/38/62/1078643862.db2.gz YGXLOYJKVCNATA-HOTGVXAUSA-N 1 3 350.894 2.566 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)N2CCCC2)cc1 ZINC001579666773 1078659322 /nfs/dbraw/zinc/65/93/22/1078659322.db2.gz AKQYWFPCSDZCPB-ZJOUEHCJSA-N 1 3 356.514 2.573 20 0 FFADHO Cc1ccc(CCN(Cc2ccco2)C[C@H]2CC3(C[NH2+]C3)C(=O)O2)cc1 ZINC001579685073 1078662681 /nfs/dbraw/zinc/66/26/81/1078662681.db2.gz ATKOWRZJUMYGOO-LJQANCHMSA-N 1 3 354.450 2.538 20 0 FFADHO [NH3+]CC1(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CCCC1 ZINC001580244790 1078773437 /nfs/dbraw/zinc/77/34/37/1078773437.db2.gz AVQKYTLYEUZWIN-MRXNPFEDSA-N 1 3 351.441 2.532 20 0 FFADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001580691956 1078847931 /nfs/dbraw/zinc/84/79/31/1078847931.db2.gz XRZNNHBIJAMPDA-HXUWFJFHSA-N 1 3 358.530 2.873 20 0 FFADHO [NH3+][C@@H]1CCc2nc(NC(=O)c3cccc(CN4CCCC4)c3)sc2C1 ZINC001549025768 1073598964 /nfs/dbraw/zinc/59/89/64/1073598964.db2.gz OUBDIUJFQGSLGY-OAHLLOKOSA-N 1 3 356.495 2.807 20 0 FFADHO CN1C(=O)C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@H]1c1cccnc1 ZINC001549033629 1073602875 /nfs/dbraw/zinc/60/28/75/1073602875.db2.gz AVMMXKKQRLNQIM-PGRDOPGGSA-N 1 3 370.541 2.988 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@H]([NH3+])[C@H](c3ccccc3F)C2)c1 ZINC001549521517 1073897851 /nfs/dbraw/zinc/89/78/51/1073897851.db2.gz AKQYXNRQWFJKJF-HKUYNNGSSA-N 1 3 356.445 2.846 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3ccc([C@H]4C[C@@H]4[NH3+])cc3)cc2)CC1 ZINC001550097823 1074143470 /nfs/dbraw/zinc/14/34/70/1074143470.db2.gz HINIMFLDAOBFFO-RTWAWAEBSA-N 1 3 364.493 2.895 20 0 FFADHO Cc1ccnc(-c2noc(CC3CCN(C[C@H]4C[NH2+]C[C@@H]4C)CC3)n2)c1 ZINC001550352827 1074225165 /nfs/dbraw/zinc/22/51/65/1074225165.db2.gz GPGMHSPHKCHUNU-DOTOQJQBSA-N 1 3 355.486 2.550 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(-c3ccco3)s1)C2 ZINC001550421881 1074259204 /nfs/dbraw/zinc/25/92/04/1074259204.db2.gz HRNOYKUJTPCUPE-MRHSLFKSSA-N 1 3 361.511 2.972 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(-c3ccco3)s1)C2 ZINC001550421881 1074259206 /nfs/dbraw/zinc/25/92/06/1074259206.db2.gz HRNOYKUJTPCUPE-MRHSLFKSSA-N 1 3 361.511 2.972 20 0 FFADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(F)cc1C ZINC001550422223 1074260245 /nfs/dbraw/zinc/26/02/45/1074260245.db2.gz QAGPTUURVRZYKG-LFGUQSLTSA-N 1 3 350.478 2.712 20 0 FFADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(F)cc1C ZINC001550422223 1074260250 /nfs/dbraw/zinc/26/02/50/1074260250.db2.gz QAGPTUURVRZYKG-LFGUQSLTSA-N 1 3 350.478 2.712 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(N4CCCC4)o3)C2)[C@@H]1C(C)C ZINC001550423809 1074262443 /nfs/dbraw/zinc/26/24/43/1074262443.db2.gz RZEAOZGLEYCYRU-QIJZPMMNSA-N 1 3 361.530 2.839 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(N4CCCC4)o3)C2)[C@@H]1C(C)C ZINC001550423809 1074262450 /nfs/dbraw/zinc/26/24/50/1074262450.db2.gz RZEAOZGLEYCYRU-QIJZPMMNSA-N 1 3 361.530 2.839 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc(F)ccc3OC)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424157 1074263872 /nfs/dbraw/zinc/26/38/72/1074263872.db2.gz YQJHUKPKWBXWQM-UMGGQSCQSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc(F)ccc3OC)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424157 1074263877 /nfs/dbraw/zinc/26/38/77/1074263877.db2.gz YQJHUKPKWBXWQM-UMGGQSCQSA-N 1 3 350.478 2.794 20 0 FFADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@H]3COC[C@]3(c3ccccc3)C2)cc1 ZINC001550910703 1074527395 /nfs/dbraw/zinc/52/73/95/1074527395.db2.gz GXLFYNAMUBBCBD-CBQOVEMMSA-N 1 3 352.478 2.638 20 0 FFADHO COc1ccc([C@H](CN)C[N@H+]2C[C@H]3COC[C@]3(c3ccccc3)C2)cc1 ZINC001550910703 1074527403 /nfs/dbraw/zinc/52/74/03/1074527403.db2.gz GXLFYNAMUBBCBD-CBQOVEMMSA-N 1 3 352.478 2.638 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)c2cccs2)CC1 ZINC001551601182 1074768916 /nfs/dbraw/zinc/76/89/16/1074768916.db2.gz LRCRRFORWNAJIU-HLCARVAJSA-N 1 3 362.543 2.700 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553421746 1075303892 /nfs/dbraw/zinc/30/38/92/1075303892.db2.gz WUMLMZJIJUWTEQ-YESZJQIVSA-N 1 3 362.543 2.669 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC001556737378 1075770561 /nfs/dbraw/zinc/77/05/61/1075770561.db2.gz CDYODCUZGCPMGY-GXRSIYKFSA-N 1 3 369.553 2.943 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC001556737378 1075770563 /nfs/dbraw/zinc/77/05/63/1075770563.db2.gz CDYODCUZGCPMGY-GXRSIYKFSA-N 1 3 369.553 2.943 20 0 FFADHO COCCOc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC001560436486 1076273372 /nfs/dbraw/zinc/27/33/72/1076273372.db2.gz HNRNPLFALNDCBD-NRFANRHFSA-N 1 3 370.493 2.568 20 0 FFADHO COCCOc1cccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC001560436486 1076273376 /nfs/dbraw/zinc/27/33/76/1076273376.db2.gz HNRNPLFALNDCBD-NRFANRHFSA-N 1 3 370.493 2.568 20 0 FFADHO C[C@@H](C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C(=O)CN1CCCC1 ZINC001568318984 1077086446 /nfs/dbraw/zinc/08/64/46/1077086446.db2.gz IRWFQWGZXFTTIF-IEZWGBDMSA-N 1 3 365.468 2.568 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@@H+]1C ZINC001568943005 1077120343 /nfs/dbraw/zinc/12/03/43/1077120343.db2.gz YTDZTEBMJPYWCE-PKOBYXMFSA-N 1 3 352.482 2.614 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccnc4ccccc43)CC2)CC[N@H+]1C ZINC001568943005 1077120345 /nfs/dbraw/zinc/12/03/45/1077120345.db2.gz YTDZTEBMJPYWCE-PKOBYXMFSA-N 1 3 352.482 2.614 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C ZINC001568999241 1077122117 /nfs/dbraw/zinc/12/21/17/1077122117.db2.gz DEEWJTVWDHCPDI-UBDQQSCGSA-N 1 3 367.484 2.716 20 0 FFADHO CCN1CCN([C@H]2CC[N@H+](Cc3ccc(OC)c(OC(F)F)c3)C2)CC1 ZINC000093133019 250017801 /nfs/dbraw/zinc/01/78/01/250017801.db2.gz FBDUJFZVJRDDCZ-INIZCTEOSA-N 1 3 369.456 2.508 20 0 FFADHO CCN1CCN([C@H]2CC[N@@H+](Cc3ccc(OC)c(OC(F)F)c3)C2)CC1 ZINC000093133019 250017805 /nfs/dbraw/zinc/01/78/05/250017805.db2.gz FBDUJFZVJRDDCZ-INIZCTEOSA-N 1 3 369.456 2.508 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+]2CCCC2)c(OC)c1 ZINC000120938499 250644306 /nfs/dbraw/zinc/64/43/06/250644306.db2.gz RNABVPIRPPIFKZ-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c(OC)c1 ZINC000120938499 250644310 /nfs/dbraw/zinc/64/43/10/250644310.db2.gz RNABVPIRPPIFKZ-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000264606690 251320530 /nfs/dbraw/zinc/32/05/30/251320530.db2.gz GOITVECZZUDSOH-WMZOPIPTSA-N 1 3 369.431 2.509 20 0 FFADHO C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000264606690 251320535 /nfs/dbraw/zinc/32/05/35/251320535.db2.gz GOITVECZZUDSOH-WMZOPIPTSA-N 1 3 369.431 2.509 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc2c(c1)COC2 ZINC000268788104 251384313 /nfs/dbraw/zinc/38/43/13/251384313.db2.gz FNAMMJVGQYBTBV-GOSISDBHSA-N 1 3 366.509 2.975 20 0 FFADHO COC(=O)CCCN1CCC([NH2+][C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000271709463 251858146 /nfs/dbraw/zinc/85/81/46/251858146.db2.gz AJBVYVFLOSUNLL-OAQYLSRUSA-N 1 3 373.541 2.831 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000272412368 252031396 /nfs/dbraw/zinc/03/13/96/252031396.db2.gz FSEKMGLDFFSHPZ-GHTZIAJQSA-N 1 3 370.541 2.695 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000272742308 252117453 /nfs/dbraw/zinc/11/74/53/252117453.db2.gz MGXXTNQNQHQBLR-XLIONFOSSA-N 1 3 356.514 2.601 20 0 FFADHO Cc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c(OCC[NH+](C)C)c1 ZINC000272746125 252120386 /nfs/dbraw/zinc/12/03/86/252120386.db2.gz RZNOQKWKBKVXFL-MRXNPFEDSA-N 1 3 360.502 2.707 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000272856084 252148895 /nfs/dbraw/zinc/14/88/95/252148895.db2.gz URKXFWNOJXEFDK-KRWDZBQOSA-N 1 3 358.530 2.978 20 0 FFADHO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000272875213 252153206 /nfs/dbraw/zinc/15/32/06/252153206.db2.gz XEXPNCYVZQYTEB-SFHVURJKSA-N 1 3 370.541 2.643 20 0 FFADHO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)C1=CCN(C)CC1 ZINC000272784165 252131890 /nfs/dbraw/zinc/13/18/90/252131890.db2.gz RTPCKVLVOWDKLB-QGZVFWFLSA-N 1 3 356.514 2.732 20 0 FFADHO CS[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1[NH+]1CCCC1 ZINC000275848329 256053381 /nfs/dbraw/zinc/05/33/81/256053381.db2.gz VWDXXEZMEQDYCI-QZTJIDSGSA-N 1 3 362.543 2.792 20 0 FFADHO Cc1ccc([C@H](CCn2cncn2)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278455377 256315161 /nfs/dbraw/zinc/31/51/61/256315161.db2.gz ISQPCABLNBXTBS-CTNGQTDRSA-N 1 3 371.529 2.808 20 0 FFADHO Cc1ccc([C@H](CCn2cncn2)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278455377 256315162 /nfs/dbraw/zinc/31/51/62/256315162.db2.gz ISQPCABLNBXTBS-CTNGQTDRSA-N 1 3 371.529 2.808 20 0 FFADHO CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000279171396 256389490 /nfs/dbraw/zinc/38/94/90/256389490.db2.gz UTAZAPWQJATGFK-HNNXBMFYSA-N 1 3 356.470 2.831 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000286035677 257017148 /nfs/dbraw/zinc/01/71/48/257017148.db2.gz KOKKZRMCSWBRMZ-GOEBONIOSA-N 1 3 357.420 2.723 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000286236549 257026992 /nfs/dbraw/zinc/02/69/92/257026992.db2.gz UPTZGFWIZJQKIG-HXUWFJFHSA-N 1 3 355.482 2.790 20 0 FFADHO CC(=O)NC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000287104271 257072088 /nfs/dbraw/zinc/07/20/88/257072088.db2.gz QFJIDWWKPFOGCW-RGCMJDONSA-N 1 3 355.526 2.934 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287486984 257092051 /nfs/dbraw/zinc/09/20/51/257092051.db2.gz GPINDCZOHBZUEL-HWPVKAJDSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287486984 257092052 /nfs/dbraw/zinc/09/20/52/257092052.db2.gz GPINDCZOHBZUEL-HWPVKAJDSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000287520985 257093746 /nfs/dbraw/zinc/09/37/46/257093746.db2.gz IELYUVZYNDPECD-OXQOHEQNSA-N 1 3 358.530 2.851 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287548477 257095396 /nfs/dbraw/zinc/09/53/96/257095396.db2.gz XAMKZWRFJGREOW-SFHVURJKSA-N 1 3 364.534 2.863 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287548477 257095397 /nfs/dbraw/zinc/09/53/97/257095397.db2.gz XAMKZWRFJGREOW-SFHVURJKSA-N 1 3 364.534 2.863 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000287714075 257104922 /nfs/dbraw/zinc/10/49/22/257104922.db2.gz SFTMNSIEJUQJDX-GOSISDBHSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CCN1Cc1ccccc1 ZINC000288213193 257160948 /nfs/dbraw/zinc/16/09/48/257160948.db2.gz SGVCETRTFKKDBG-JYBIWHBTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CCN1Cc1ccccc1 ZINC000288213193 257160950 /nfs/dbraw/zinc/16/09/50/257160950.db2.gz SGVCETRTFKKDBG-JYBIWHBTSA-N 1 3 358.530 2.631 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000289883238 257304641 /nfs/dbraw/zinc/30/46/41/257304641.db2.gz STLYJTWOZQCWMC-CQSZACIVSA-N 1 3 355.324 2.522 20 0 FFADHO COc1cc(-c2noc(CC3CC[NH+](C)CC3)n2)ccc1OCCN(C)C ZINC000290106774 257315651 /nfs/dbraw/zinc/31/56/51/257315651.db2.gz MNAZEHYBOOXWES-UHFFFAOYSA-N 1 3 374.485 2.570 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290611052 257346020 /nfs/dbraw/zinc/34/60/20/257346020.db2.gz WOTODWXCTWJHTO-SWLSCSKDSA-N 1 3 351.292 2.869 20 0 FFADHO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290611052 257346021 /nfs/dbraw/zinc/34/60/21/257346021.db2.gz WOTODWXCTWJHTO-SWLSCSKDSA-N 1 3 351.292 2.869 20 0 FFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000311837573 258115541 /nfs/dbraw/zinc/11/55/41/258115541.db2.gz QBHGHAHBZVVXDC-LILSUDLASA-N 1 3 356.510 2.825 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000311382030 258115620 /nfs/dbraw/zinc/11/56/20/258115620.db2.gz BJYRGVVVEZDQIL-AEFFLSMTSA-N 1 3 373.522 2.507 20 0 FFADHO C[C@H]1C[C@H](N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c2ccsc2S1 ZINC000333231081 258257292 /nfs/dbraw/zinc/25/72/92/258257292.db2.gz CAPJMDKYJHPUHF-UTNFCUCBSA-N 1 3 365.568 2.910 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000333249541 258258434 /nfs/dbraw/zinc/25/84/34/258258434.db2.gz CEPBPNXBSWCXSN-HNAYVOBHSA-N 1 3 370.497 2.649 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000333249541 258258435 /nfs/dbraw/zinc/25/84/35/258258435.db2.gz CEPBPNXBSWCXSN-HNAYVOBHSA-N 1 3 370.497 2.649 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000066196417 506445120 /nfs/dbraw/zinc/44/51/20/506445120.db2.gz SYBLZIUTDQWMDJ-OAHLLOKOSA-N 1 3 370.488 2.768 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000066196417 506445126 /nfs/dbraw/zinc/44/51/26/506445126.db2.gz SYBLZIUTDQWMDJ-OAHLLOKOSA-N 1 3 370.488 2.768 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)C1 ZINC000410360613 512245860 /nfs/dbraw/zinc/24/58/60/512245860.db2.gz AAIYXTBHGRTZSN-SFHVURJKSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCCN(C)CC3)cc2)C1 ZINC000410360613 512245863 /nfs/dbraw/zinc/24/58/63/512245863.db2.gz AAIYXTBHGRTZSN-SFHVURJKSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@H]1COCCN1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000369189730 512275251 /nfs/dbraw/zinc/27/52/51/512275251.db2.gz SYOPOTCFELCGDO-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1COCCN1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000369189730 512275253 /nfs/dbraw/zinc/27/52/53/512275253.db2.gz SYOPOTCFELCGDO-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1COCCN1CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000369189730 512275256 /nfs/dbraw/zinc/27/52/56/512275256.db2.gz SYOPOTCFELCGDO-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H]1COCCN1CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000369189730 512275259 /nfs/dbraw/zinc/27/52/59/512275259.db2.gz SYOPOTCFELCGDO-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000053962885 506466063 /nfs/dbraw/zinc/46/60/63/506466063.db2.gz AXCSGBCRQQJQJQ-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000054718393 506608865 /nfs/dbraw/zinc/60/88/65/506608865.db2.gz GFTDUCXTVQKPII-HKUYNNGSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000054726041 506610524 /nfs/dbraw/zinc/61/05/24/506610524.db2.gz XLMNVNJOIMDWKU-HOTGVXAUSA-N 1 3 350.551 2.669 20 0 FFADHO CC1(C)CC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000042910533 506678921 /nfs/dbraw/zinc/67/89/21/506678921.db2.gz AFMGXTKIIPWEMS-QGZVFWFLSA-N 1 3 358.530 2.869 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC[C@@H]2CN(C)C)cc1 ZINC000066946532 506706578 /nfs/dbraw/zinc/70/65/78/506706578.db2.gz IKAGIAAEXCJXSA-LJQANCHMSA-N 1 3 361.530 2.964 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000067685232 506973844 /nfs/dbraw/zinc/97/38/44/506973844.db2.gz XEDNBFAVZJXOGV-FQEVSTJZSA-N 1 3 372.557 2.723 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000067685232 506973852 /nfs/dbraw/zinc/97/38/52/506973852.db2.gz XEDNBFAVZJXOGV-FQEVSTJZSA-N 1 3 372.557 2.723 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000056780765 507089054 /nfs/dbraw/zinc/08/90/54/507089054.db2.gz NRQRUJLHMQIMFI-UHFFFAOYSA-N 1 3 364.534 2.970 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000371325887 512330798 /nfs/dbraw/zinc/33/07/98/512330798.db2.gz GXHAODPKERAOKV-NHCUHLMSSA-N 1 3 359.558 2.676 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000371325887 512330802 /nfs/dbraw/zinc/33/08/02/512330802.db2.gz GXHAODPKERAOKV-NHCUHLMSSA-N 1 3 359.558 2.676 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000068887160 507351198 /nfs/dbraw/zinc/35/11/98/507351198.db2.gz SFEKKUIEPQQEIS-QGZVFWFLSA-N 1 3 350.551 2.672 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371336681 512339460 /nfs/dbraw/zinc/33/94/60/512339460.db2.gz QIMOMOUWFQBYQF-MAUKXSAKSA-N 1 3 353.457 2.746 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371336681 512339465 /nfs/dbraw/zinc/33/94/65/512339465.db2.gz QIMOMOUWFQBYQF-MAUKXSAKSA-N 1 3 353.457 2.746 20 0 FFADHO CC(C)N1CCCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000069766605 507554289 /nfs/dbraw/zinc/55/42/89/507554289.db2.gz LEPHISCQXBHRDX-UHFFFAOYSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000369316639 512349075 /nfs/dbraw/zinc/34/90/75/512349075.db2.gz RCPASTFUODNOAD-TZIWHRDSSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000369316639 512349079 /nfs/dbraw/zinc/34/90/79/512349079.db2.gz RCPASTFUODNOAD-TZIWHRDSSA-N 1 3 370.541 2.919 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccccc3Cl)CC2)CC1 ZINC000050803099 507715460 /nfs/dbraw/zinc/71/54/60/507715460.db2.gz ZGHXBSWGZISJNG-UHFFFAOYSA-N 1 3 363.933 2.947 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000064251192 507787333 /nfs/dbraw/zinc/78/73/33/507787333.db2.gz FOYSPUYHBWHGPN-MRXNPFEDSA-N 1 3 366.575 2.990 20 0 FFADHO C[C@H](CC(=O)N1CCCCCC1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000089594104 507849029 /nfs/dbraw/zinc/84/90/29/507849029.db2.gz KIMJRCWSOFSYPC-LJQANCHMSA-N 1 3 365.562 2.792 20 0 FFADHO CN(C)[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)Cc1ccccc1 ZINC000078541664 507881798 /nfs/dbraw/zinc/88/17/98/507881798.db2.gz DNZZQPJGEXAHMY-NRFANRHFSA-N 1 3 368.525 2.720 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108541479 507902726 /nfs/dbraw/zinc/90/27/26/507902726.db2.gz FGEOEINFRAWNOL-IAGOWNOFSA-N 1 3 362.543 2.669 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108541479 507902728 /nfs/dbraw/zinc/90/27/28/507902728.db2.gz FGEOEINFRAWNOL-IAGOWNOFSA-N 1 3 362.543 2.669 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000090038699 507903849 /nfs/dbraw/zinc/90/38/49/507903849.db2.gz DFNCHTTUULWAFX-NRFANRHFSA-N 1 3 351.494 2.625 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108553262 507904296 /nfs/dbraw/zinc/90/42/96/507904296.db2.gz MWYPDRTXRQGWTR-WOJBJXKFSA-N 1 3 356.514 2.607 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108553262 507904298 /nfs/dbraw/zinc/90/42/98/507904298.db2.gz MWYPDRTXRQGWTR-WOJBJXKFSA-N 1 3 356.514 2.607 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468769 507922259 /nfs/dbraw/zinc/92/22/59/507922259.db2.gz PUEQODXUOWQEDT-HLIPFELVSA-N 1 3 364.965 2.780 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468769 507922260 /nfs/dbraw/zinc/92/22/60/507922260.db2.gz PUEQODXUOWQEDT-HLIPFELVSA-N 1 3 364.965 2.780 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(OCCN(C)C)cc1 ZINC000090802059 507936831 /nfs/dbraw/zinc/93/68/31/507936831.db2.gz BQKMFAPEARNDGX-PKOBYXMFSA-N 1 3 354.498 2.952 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2ccccc2C1 ZINC000079493647 507968162 /nfs/dbraw/zinc/96/81/62/507968162.db2.gz HTJWVWVEWHBVNJ-VQTJNVASSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCc2ccccc2C1 ZINC000079493647 507968166 /nfs/dbraw/zinc/96/81/66/507968166.db2.gz HTJWVWVEWHBVNJ-VQTJNVASSA-N 1 3 370.541 2.749 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000074008113 507976674 /nfs/dbraw/zinc/97/66/74/507976674.db2.gz IDNKDTGOSTZPFT-MSOLQXFVSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000074008113 507976677 /nfs/dbraw/zinc/97/66/77/507976677.db2.gz IDNKDTGOSTZPFT-MSOLQXFVSA-N 1 3 362.562 2.909 20 0 FFADHO OC1CC[NH+](CCCN[C@@H]2CCc3c2cccc3Br)CC1 ZINC000091306511 507979623 /nfs/dbraw/zinc/97/96/23/507979623.db2.gz NJXGYKKAZMYJBD-QGZVFWFLSA-N 1 3 353.304 2.873 20 0 FFADHO C[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000074099199 507985881 /nfs/dbraw/zinc/98/58/81/507985881.db2.gz NBPRHFIOYMSWNK-IEBWSBKVSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000074099199 507985883 /nfs/dbraw/zinc/98/58/83/507985883.db2.gz NBPRHFIOYMSWNK-IEBWSBKVSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000074160908 507992754 /nfs/dbraw/zinc/99/27/54/507992754.db2.gz WFTZTBVYHPDXQY-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000074160908 507992757 /nfs/dbraw/zinc/99/27/57/507992757.db2.gz WFTZTBVYHPDXQY-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000074168530 507994381 /nfs/dbraw/zinc/99/43/81/507994381.db2.gz CUSCJXULKMKHOY-SFHVURJKSA-N 1 3 360.546 2.928 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000091833067 508016824 /nfs/dbraw/zinc/01/68/24/508016824.db2.gz KVRSFLPDKOZURT-IBGZPJMESA-N 1 3 369.513 2.900 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000091833067 508016826 /nfs/dbraw/zinc/01/68/26/508016826.db2.gz KVRSFLPDKOZURT-IBGZPJMESA-N 1 3 369.513 2.900 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C[NH+]1CCCC1 ZINC000079985250 508023597 /nfs/dbraw/zinc/02/35/97/508023597.db2.gz QNXZXHGENYOQAK-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000092101148 508043206 /nfs/dbraw/zinc/04/32/06/508043206.db2.gz QSASJBAJJWNCFZ-LJQANCHMSA-N 1 3 372.557 2.517 20 0 FFADHO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000092101148 508043208 /nfs/dbraw/zinc/04/32/08/508043208.db2.gz QSASJBAJJWNCFZ-LJQANCHMSA-N 1 3 372.557 2.517 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000074714469 508050082 /nfs/dbraw/zinc/05/00/82/508050082.db2.gz MJHFNZKYZJIBHY-UHFFFAOYSA-N 1 3 364.534 2.783 20 0 FFADHO CN1CCN(c2cccc(Cl)c2CNCCC2CC[NH+](C)CC2)CC1 ZINC000092389463 508067171 /nfs/dbraw/zinc/06/71/71/508067171.db2.gz JQPSJJLGGDMMTL-UHFFFAOYSA-N 1 3 364.965 2.913 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000092615739 508087121 /nfs/dbraw/zinc/08/71/21/508087121.db2.gz IZJKGMJJLNMNRE-UHFFFAOYSA-N 1 3 366.509 2.638 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000092660276 508092306 /nfs/dbraw/zinc/09/23/06/508092306.db2.gz IGQWKYGQNJGVGC-LJQANCHMSA-N 1 3 372.557 2.696 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000092660276 508092308 /nfs/dbraw/zinc/09/23/08/508092308.db2.gz IGQWKYGQNJGVGC-LJQANCHMSA-N 1 3 372.557 2.696 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000111452710 508100394 /nfs/dbraw/zinc/10/03/94/508100394.db2.gz DBNCLNLYFSAFKB-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000111491646 508104460 /nfs/dbraw/zinc/10/44/60/508104460.db2.gz HAZLNYSKRKUULP-IERDGZPVSA-N 1 3 370.541 2.778 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)N1CCc2ccccc2C1 ZINC000111817262 508126097 /nfs/dbraw/zinc/12/60/97/508126097.db2.gz ZZJQLVHQYOAYAX-NRFANRHFSA-N 1 3 372.557 2.995 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1F ZINC000076330387 508187833 /nfs/dbraw/zinc/18/78/33/508187833.db2.gz AARLXDOBWUHPEE-CYBMUJFWSA-N 1 3 372.435 2.984 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(F)c1F ZINC000076330387 508187835 /nfs/dbraw/zinc/18/78/35/508187835.db2.gz AARLXDOBWUHPEE-CYBMUJFWSA-N 1 3 372.435 2.984 20 0 FFADHO Cc1ccc(C[C@H]2CCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000113264324 508256037 /nfs/dbraw/zinc/25/60/37/508256037.db2.gz WJFGYHXHTHVTOX-OAQYLSRUSA-N 1 3 355.526 2.745 20 0 FFADHO C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085355103 508303003 /nfs/dbraw/zinc/30/30/03/508303003.db2.gz VTRZTTOVDSMADY-QGZVFWFLSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000085388403 508305246 /nfs/dbraw/zinc/30/52/46/508305246.db2.gz JQEUIQPTUPIRMM-XLIONFOSSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)C(C)(C)C[NH+](C)C ZINC000085424463 508308314 /nfs/dbraw/zinc/30/83/14/508308314.db2.gz IJODAFPMBFQIRQ-INIZCTEOSA-N 1 3 366.525 2.875 20 0 FFADHO CC[C@@H](O)[C@@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000114458715 508316477 /nfs/dbraw/zinc/31/64/77/508316477.db2.gz BXGBFEUCXSWNOU-LEWJYISDSA-N 1 3 373.541 2.524 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000104258459 508330823 /nfs/dbraw/zinc/33/08/23/508330823.db2.gz GDHDSEAUTQZJHT-HXUWFJFHSA-N 1 3 361.530 2.898 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000105207706 508365941 /nfs/dbraw/zinc/36/59/41/508365941.db2.gz RKPZPRZFCGUWMM-HXUWFJFHSA-N 1 3 358.530 2.773 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[N@H+](C)C1CC1 ZINC000105264699 508367701 /nfs/dbraw/zinc/36/77/01/508367701.db2.gz UIRITHMXCJVGEW-AWEZNQCLSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[N@@H+](C)C1CC1 ZINC000105264699 508367702 /nfs/dbraw/zinc/36/77/02/508367702.db2.gz UIRITHMXCJVGEW-AWEZNQCLSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000077774195 508371386 /nfs/dbraw/zinc/37/13/86/508371386.db2.gz BVDBZJKLXGYKRB-IBGZPJMESA-N 1 3 372.557 2.867 20 0 FFADHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000121724312 508405044 /nfs/dbraw/zinc/40/50/44/508405044.db2.gz WLMBVRNALOWIJJ-OAHLLOKOSA-N 1 3 368.543 2.871 20 0 FFADHO CN1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000156564599 508441488 /nfs/dbraw/zinc/44/14/88/508441488.db2.gz MTJNLWLRCFARCI-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO CN1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000156564599 508441490 /nfs/dbraw/zinc/44/14/90/508441490.db2.gz MTJNLWLRCFARCI-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO CCOc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000127472580 508455408 /nfs/dbraw/zinc/45/54/08/508455408.db2.gz LBKLQXTZWDISQQ-UHFFFAOYSA-N 1 3 360.502 2.765 20 0 FFADHO C[C@@H](Cc1cccs1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127498123 508459276 /nfs/dbraw/zinc/45/92/76/508459276.db2.gz SVHHNSIXZYYHFQ-HNNXBMFYSA-N 1 3 364.559 2.537 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000134000904 508479211 /nfs/dbraw/zinc/47/92/11/508479211.db2.gz QEGUQQLVWBIHEY-SJLPKXTDSA-N 1 3 369.431 2.651 20 0 FFADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1ccc(F)cc1 ZINC000127796301 508501269 /nfs/dbraw/zinc/50/12/69/508501269.db2.gz GWOCBWAIAKYJJG-OAQYLSRUSA-N 1 3 372.484 2.862 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(C4CCCCC4)n[nH]3)CC2)CC1 ZINC000122225877 508502454 /nfs/dbraw/zinc/50/24/54/508502454.db2.gz WJRFDAUYXYOVRQ-UHFFFAOYSA-N 1 3 373.545 2.746 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000116561055 508530210 /nfs/dbraw/zinc/53/02/10/508530210.db2.gz GDWIMEGOVFGLKJ-LAUBAEHRSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000116561055 508530213 /nfs/dbraw/zinc/53/02/13/508530213.db2.gz GDWIMEGOVFGLKJ-LAUBAEHRSA-N 1 3 370.541 2.996 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000128721262 508634644 /nfs/dbraw/zinc/63/46/44/508634644.db2.gz XUWLEGNDCKJLMY-HOJAQTOUSA-N 1 3 360.546 2.969 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000128721262 508634646 /nfs/dbraw/zinc/63/46/46/508634646.db2.gz XUWLEGNDCKJLMY-HOJAQTOUSA-N 1 3 360.546 2.969 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123092480 508635114 /nfs/dbraw/zinc/63/51/14/508635114.db2.gz QYLLXOPFXFQGPQ-KRWDZBQOSA-N 1 3 370.541 2.651 20 0 FFADHO C[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000158130216 508660815 /nfs/dbraw/zinc/66/08/15/508660815.db2.gz QUIKTGXODLRAGZ-GCJKJVERSA-N 1 3 355.526 2.542 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000137167160 508741524 /nfs/dbraw/zinc/74/15/24/508741524.db2.gz LZQKRUJJLRNMQP-UHFFFAOYSA-N 1 3 350.551 2.909 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCCN3C)cc2)CC1 ZINC000139530435 508789840 /nfs/dbraw/zinc/78/98/40/508789840.db2.gz WHMMGHJVUMTTNH-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CC[N@H+](CCCC1CCN(Cc2cnn(C)c2)CC1)Cc1cnn(C)c1 ZINC000154664240 508829044 /nfs/dbraw/zinc/82/90/44/508829044.db2.gz DDJQFIPFBWJBGB-UHFFFAOYSA-N 1 3 358.534 2.668 20 0 FFADHO CC[N@@H+](CCCC1CCN(Cc2cnn(C)c2)CC1)Cc1cnn(C)c1 ZINC000154664240 508829049 /nfs/dbraw/zinc/82/90/49/508829049.db2.gz DDJQFIPFBWJBGB-UHFFFAOYSA-N 1 3 358.534 2.668 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Cl)c(F)c3)CC2)CC1 ZINC000131071618 508883716 /nfs/dbraw/zinc/88/37/16/508883716.db2.gz PMECNRATTFCXQF-UHFFFAOYSA-N 1 3 353.869 2.768 20 0 FFADHO CC(C)C[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000155024278 508905613 /nfs/dbraw/zinc/90/56/13/508905613.db2.gz MKNQBYNDMQTNEV-IBGZPJMESA-N 1 3 350.551 2.765 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(F)c3F)CC2)CC1 ZINC000120005435 508908663 /nfs/dbraw/zinc/90/86/63/508908663.db2.gz XRZXOVAAGZUYOH-UHFFFAOYSA-N 1 3 352.429 2.645 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000120218872 508952544 /nfs/dbraw/zinc/95/25/44/508952544.db2.gz LZTFUDNRIMTCTA-UHFFFAOYSA-N 1 3 360.424 2.749 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCc4sccc43)CC2)CC1 ZINC000125281444 508960133 /nfs/dbraw/zinc/96/01/33/508960133.db2.gz FOWJSCXZPLVUNW-GOSISDBHSA-N 1 3 361.555 2.843 20 0 FFADHO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000125769649 509027058 /nfs/dbraw/zinc/02/70/58/509027058.db2.gz WIRVYOALTYUCQC-HOCLYGCPSA-N 1 3 359.436 2.914 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)NCCN3CCCCC3)CC2)CC1 ZINC000132633238 509055053 /nfs/dbraw/zinc/05/50/53/509055053.db2.gz JBBRRZUBEQFHAV-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000132950634 509095860 /nfs/dbraw/zinc/09/58/60/509095860.db2.gz MZEWDOXEWIRAQF-IRXDYDNUSA-N 1 3 373.497 2.795 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127056034 509163402 /nfs/dbraw/zinc/16/34/02/509163402.db2.gz LTMVGWWTKHZTGL-WOJBJXKFSA-N 1 3 373.516 2.982 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H]1c1ccccc1 ZINC000179103235 509264052 /nfs/dbraw/zinc/26/40/52/509264052.db2.gz WRMNNDVTBFFOPZ-SFTDATJTSA-N 1 3 366.509 2.993 20 0 FFADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248391014 509288425 /nfs/dbraw/zinc/28/84/25/509288425.db2.gz BSOFYXCWEPPLJO-GFOJFJKKSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248391014 509288430 /nfs/dbraw/zinc/28/84/30/509288430.db2.gz BSOFYXCWEPPLJO-GFOJFJKKSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248391014 509288436 /nfs/dbraw/zinc/28/84/36/509288436.db2.gz BSOFYXCWEPPLJO-GFOJFJKKSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185662281 509293083 /nfs/dbraw/zinc/29/30/83/509293083.db2.gz DBDXOXJONUIGIM-SCWSEQNSSA-N 1 3 374.525 2.872 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179276532 509352948 /nfs/dbraw/zinc/35/29/48/509352948.db2.gz MAOXBNHPAGQKOP-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000163256747 509356938 /nfs/dbraw/zinc/35/69/38/509356938.db2.gz SGKFXBCMUYZRTM-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000163256747 509356941 /nfs/dbraw/zinc/35/69/41/509356941.db2.gz SGKFXBCMUYZRTM-LJQANCHMSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000248648055 509415056 /nfs/dbraw/zinc/41/50/56/509415056.db2.gz TYVXBFFITAOMNQ-MBPVOVBZSA-N 1 3 355.526 2.525 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000267290859 509431246 /nfs/dbraw/zinc/43/12/46/509431246.db2.gz CASRTCGECTWRAE-NHCUHLMSSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000267290859 509431254 /nfs/dbraw/zinc/43/12/54/509431254.db2.gz CASRTCGECTWRAE-NHCUHLMSSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182840498 509453155 /nfs/dbraw/zinc/45/31/55/509453155.db2.gz QUWRBJQLZPDOKJ-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840498 509453157 /nfs/dbraw/zinc/45/31/57/509453157.db2.gz QUWRBJQLZPDOKJ-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)C[NH+]1CCCCC1 ZINC000176434166 509508193 /nfs/dbraw/zinc/50/81/93/509508193.db2.gz RNGPHMYCPMPMBS-QGZVFWFLSA-N 1 3 366.575 2.943 20 0 FFADHO COC(=O)C1CCC([NH2+]CCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000192440392 509517389 /nfs/dbraw/zinc/51/73/89/509517389.db2.gz VRNMDXSWLGHNKY-UHFFFAOYSA-N 1 3 373.541 2.910 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248873822 509522225 /nfs/dbraw/zinc/52/22/25/509522225.db2.gz QWSJHKSXPCNKCD-FXAWDEMLSA-N 1 3 358.530 2.679 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000236884735 509525691 /nfs/dbraw/zinc/52/56/91/509525691.db2.gz CHEKHVYVILSIOL-HZPDHXFCSA-N 1 3 357.420 2.957 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000176493244 509542455 /nfs/dbraw/zinc/54/24/55/509542455.db2.gz QOCZQQYMFRBZCM-LPHOPBHVSA-N 1 3 350.551 2.908 20 0 FFADHO Cc1nn(C)c2ncc(CNCc3ccc(OCC[NH+](C)C)cc3)cc12 ZINC000236973239 509543846 /nfs/dbraw/zinc/54/38/46/509543846.db2.gz FANMWLSDWJLWOR-UHFFFAOYSA-N 1 3 353.470 2.507 20 0 FFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2)CC1 ZINC000237096140 509570615 /nfs/dbraw/zinc/57/06/15/509570615.db2.gz DMABXQJSUSWNAE-OAQYLSRUSA-N 1 3 358.530 2.935 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1Cl ZINC000165915031 509588962 /nfs/dbraw/zinc/58/89/62/509588962.db2.gz ZVLLXONKPPJMDR-KRWDZBQOSA-N 1 3 361.873 2.789 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179754774 509606011 /nfs/dbraw/zinc/60/60/11/509606011.db2.gz DSWWUASPRUWUKC-FQEVSTJZSA-N 1 3 371.529 2.568 20 0 FFADHO CN1CCN(CCC[NH2+][C@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000183126544 509613578 /nfs/dbraw/zinc/61/35/78/509613578.db2.gz UPPYSALFIGHEPM-VJBWXMMDSA-N 1 3 370.585 2.514 20 0 FFADHO C[C@@]1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCC[NH2+]C1 ZINC000237386234 509636960 /nfs/dbraw/zinc/63/69/60/509636960.db2.gz IRYULHQIGMAAIP-OAQYLSRUSA-N 1 3 356.514 2.547 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H](N)c1ccccc1 ZINC000237576313 509681464 /nfs/dbraw/zinc/68/14/64/509681464.db2.gz WGZNKWXFDJXCQZ-JXFKEZNVSA-N 1 3 355.482 2.579 20 0 FFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237609133 509688160 /nfs/dbraw/zinc/68/81/60/509688160.db2.gz GVEGMOICBXNMIM-MRXNPFEDSA-N 1 3 365.568 2.577 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)s2)[C@@H](C)C1 ZINC000249468713 509689211 /nfs/dbraw/zinc/68/92/11/509689211.db2.gz TVQIRIKVZWLIPQ-HOCLYGCPSA-N 1 3 354.516 2.761 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC000173740900 509747859 /nfs/dbraw/zinc/74/78/59/509747859.db2.gz UQEBKIQKNBEJTP-RXVVDRJESA-N 1 3 372.557 2.818 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000249739798 509748934 /nfs/dbraw/zinc/74/89/34/509748934.db2.gz HUXZGSOBTVGAPB-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000249739798 509748943 /nfs/dbraw/zinc/74/89/43/509748943.db2.gz HUXZGSOBTVGAPB-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO N[C@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237859597 509755392 /nfs/dbraw/zinc/75/53/92/509755392.db2.gz VOOMNEAHQGTKTH-TZIWHRDSSA-N 1 3 351.494 2.757 20 0 FFADHO N[C@H](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237859597 509755398 /nfs/dbraw/zinc/75/53/98/509755398.db2.gz VOOMNEAHQGTKTH-TZIWHRDSSA-N 1 3 351.494 2.757 20 0 FFADHO N[C@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237858258 509755431 /nfs/dbraw/zinc/75/54/31/509755431.db2.gz VOOMNEAHQGTKTH-PZJWPPBQSA-N 1 3 351.494 2.757 20 0 FFADHO N[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237858258 509755435 /nfs/dbraw/zinc/75/54/35/509755435.db2.gz VOOMNEAHQGTKTH-PZJWPPBQSA-N 1 3 351.494 2.757 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC3(CCC3)C2)CC1 ZINC000176937110 509775688 /nfs/dbraw/zinc/77/56/88/509775688.db2.gz GBOGAKPZZVHJIM-UHFFFAOYSA-N 1 3 355.526 2.952 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000186575695 509780360 /nfs/dbraw/zinc/78/03/60/509780360.db2.gz KBLSFPKJNZRKNF-ZWKOTPCHSA-N 1 3 355.530 2.857 20 0 FFADHO O=C(C[C@@H]1CSCCN1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000238058285 509810714 /nfs/dbraw/zinc/81/07/14/509810714.db2.gz BHVAABUJRAZMLM-LJQANCHMSA-N 1 3 361.555 2.774 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268211315 509815672 /nfs/dbraw/zinc/81/56/72/509815672.db2.gz ZQEMYKQGILKTNG-YFVAEKQCSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268211315 509815678 /nfs/dbraw/zinc/81/56/78/509815678.db2.gz ZQEMYKQGILKTNG-YFVAEKQCSA-N 1 3 370.541 2.633 20 0 FFADHO C[N@@H+]1CCCN(CCCN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183558675 509861802 /nfs/dbraw/zinc/86/18/02/509861802.db2.gz ZZCPEHLTPIRZCJ-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO C[N@H+]1CCCN(CCCN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183558675 509861808 /nfs/dbraw/zinc/86/18/08/509861808.db2.gz ZZCPEHLTPIRZCJ-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)C[C@H](C)O1 ZINC000177275412 509973915 /nfs/dbraw/zinc/97/39/15/509973915.db2.gz OVCJEZUUTSKGGN-HDICACEKSA-N 1 3 369.513 2.589 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)C[C@H](C)O1 ZINC000177275412 509973924 /nfs/dbraw/zinc/97/39/24/509973924.db2.gz OVCJEZUUTSKGGN-HDICACEKSA-N 1 3 369.513 2.589 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)(N2CCCCC2)CC1 ZINC000245548470 509998145 /nfs/dbraw/zinc/99/81/45/509998145.db2.gz FRTYNGNYGKODKX-XUVXKRRUSA-N 1 3 361.574 2.874 20 0 FFADHO CN(c1ccccc1CN1CC[C@@H]([NH+]2CCCC2)C1)C1CCN(C)CC1 ZINC000245570397 510014925 /nfs/dbraw/zinc/01/49/25/510014925.db2.gz WZBDHAOVEAQFOQ-OAQYLSRUSA-N 1 3 356.558 2.887 20 0 FFADHO CN(CCN1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000268596992 510027749 /nfs/dbraw/zinc/02/77/49/510027749.db2.gz WQKBZVWAYWBPHU-QFIPXVFZSA-N 1 3 358.574 2.610 20 0 FFADHO CN(CCN1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000268596992 510027757 /nfs/dbraw/zinc/02/77/57/510027757.db2.gz WQKBZVWAYWBPHU-QFIPXVFZSA-N 1 3 358.574 2.610 20 0 FFADHO C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000261961180 510128184 /nfs/dbraw/zinc/12/81/84/510128184.db2.gz ORANALVVGOMHSY-ZIAGYGMSSA-N 1 3 368.319 2.687 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC(C)(C)CC3)CC2)CC1 ZINC000174468183 510129088 /nfs/dbraw/zinc/12/90/88/510129088.db2.gz BJUWWFQNSDHVPH-UHFFFAOYSA-N 1 3 350.551 2.813 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(OCCN(C)C)c1 ZINC000265679661 510171453 /nfs/dbraw/zinc/17/14/53/510171453.db2.gz BOGNPVSYHVYKLQ-SJLPKXTDSA-N 1 3 360.502 2.684 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(OCCN(C)C)c1 ZINC000265679661 510171458 /nfs/dbraw/zinc/17/14/58/510171458.db2.gz BOGNPVSYHVYKLQ-SJLPKXTDSA-N 1 3 360.502 2.684 20 0 FFADHO Fc1ccc(COc2cccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262086726 510172341 /nfs/dbraw/zinc/17/23/41/510172341.db2.gz GBQHUJSTEPKFTA-NRFANRHFSA-N 1 3 369.484 2.884 20 0 FFADHO C[C@@H](CN1CC[C@@H](N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000262135417 510188126 /nfs/dbraw/zinc/18/81/26/510188126.db2.gz ONTASQRWRPTIIY-WMLDXEAASA-N 1 3 352.320 2.532 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177678577 510195962 /nfs/dbraw/zinc/19/59/62/510195962.db2.gz JKMDAUDHTAIQBL-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177678577 510195965 /nfs/dbraw/zinc/19/59/65/510195965.db2.gz JKMDAUDHTAIQBL-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000269055729 510213411 /nfs/dbraw/zinc/21/34/11/510213411.db2.gz JFHOHVOWJPZRTR-SJLPKXTDSA-N 1 3 368.518 2.728 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000262239096 510218211 /nfs/dbraw/zinc/21/82/11/510218211.db2.gz QDCQZEREAKTGDH-OAQYLSRUSA-N 1 3 351.494 2.859 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CN1Cc1ccccc1 ZINC000262291009 510234634 /nfs/dbraw/zinc/23/46/34/510234634.db2.gz MXVYTDWOSWSUCH-LKRQXQHHSA-N 1 3 355.526 2.919 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CN1Cc1ccccc1 ZINC000262291010 510235340 /nfs/dbraw/zinc/23/53/40/510235340.db2.gz MXVYTDWOSWSUCH-VYIBBNTISA-N 1 3 355.526 2.919 20 0 FFADHO C[C@H]1CCCN(Cc2ccccc2C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000246038487 510261431 /nfs/dbraw/zinc/26/14/31/510261431.db2.gz NHJFHKKOLISWGB-LPHOPBHVSA-N 1 3 350.528 2.585 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000181063156 510263659 /nfs/dbraw/zinc/26/36/59/510263659.db2.gz WUDQMDHMSLHJMQ-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000174709229 510264621 /nfs/dbraw/zinc/26/46/21/510264621.db2.gz XJLVEFIHBIAIFL-HLAWJBBLSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000174709229 510264625 /nfs/dbraw/zinc/26/46/25/510264625.db2.gz XJLVEFIHBIAIFL-HLAWJBBLSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174728090 510274972 /nfs/dbraw/zinc/27/49/72/510274972.db2.gz JXEIMOWLCYZUPU-GOSISDBHSA-N 1 3 368.525 2.736 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C1 ZINC000246171363 510336963 /nfs/dbraw/zinc/33/69/63/510336963.db2.gz FYFHZUGEDFZXBJ-KSZLIROESA-N 1 3 352.567 2.869 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)C1 ZINC000246171363 510336969 /nfs/dbraw/zinc/33/69/69/510336969.db2.gz FYFHZUGEDFZXBJ-KSZLIROESA-N 1 3 352.567 2.869 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000262784026 510410879 /nfs/dbraw/zinc/41/08/79/510410879.db2.gz LVUWRSKZGWOEEB-UGKGYDQZSA-N 1 3 373.541 2.608 20 0 FFADHO CC(C)N(C)c1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000190911862 510412009 /nfs/dbraw/zinc/41/20/09/510412009.db2.gz VECPUGPSXOCKBJ-UHFFFAOYSA-N 1 3 359.562 2.574 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000246378047 510455654 /nfs/dbraw/zinc/45/56/54/510455654.db2.gz RJCFRQWWIYPIER-GUDVDZBRSA-N 1 3 352.567 2.725 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000184688860 510465257 /nfs/dbraw/zinc/46/52/57/510465257.db2.gz OYCLDAVWIWKQJM-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000184688860 510465264 /nfs/dbraw/zinc/46/52/64/510465264.db2.gz OYCLDAVWIWKQJM-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCCO2 ZINC000246513974 510531477 /nfs/dbraw/zinc/53/14/77/510531477.db2.gz UHRWZZSBLRHWSF-KFKAGJAMSA-N 1 3 360.498 2.876 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000246521144 510536187 /nfs/dbraw/zinc/53/61/87/510536187.db2.gz KOQIHQXXRPJKKK-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[NH+]3CCC(C)CC3)c2)CC1 ZINC000184884127 510564172 /nfs/dbraw/zinc/56/41/72/510564172.db2.gz DIQFJIIIMGCOFB-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000246629973 510592186 /nfs/dbraw/zinc/59/21/86/510592186.db2.gz SRYOLRFVOHHQDG-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000246629973 510592191 /nfs/dbraw/zinc/59/21/91/510592191.db2.gz SRYOLRFVOHHQDG-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246662187 510607266 /nfs/dbraw/zinc/60/72/66/510607266.db2.gz WLEVYAOKLILYMW-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246662187 510607269 /nfs/dbraw/zinc/60/72/69/510607269.db2.gz WLEVYAOKLILYMW-YZGWKJHDSA-N 1 3 358.530 2.633 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC[C@@H]21 ZINC000246830542 510700037 /nfs/dbraw/zinc/70/00/37/510700037.db2.gz BBQNIYWKVJWTGL-QHAWAJNXSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC[C@@H]21 ZINC000246830542 510700044 /nfs/dbraw/zinc/70/00/44/510700044.db2.gz BBQNIYWKVJWTGL-QHAWAJNXSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[N@H+](C)Cc1ccccc1 ZINC000175645225 510710344 /nfs/dbraw/zinc/71/03/44/510710344.db2.gz YCCGBGITBILXFV-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[N@@H+](C)Cc1ccccc1 ZINC000175645225 510710349 /nfs/dbraw/zinc/71/03/49/510710349.db2.gz YCCGBGITBILXFV-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000191581269 510734626 /nfs/dbraw/zinc/73/46/26/510734626.db2.gz ZBTCLQNOMJKJMD-NRFANRHFSA-N 1 3 368.525 2.783 20 0 FFADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC000191581269 510734636 /nfs/dbraw/zinc/73/46/36/510734636.db2.gz ZBTCLQNOMJKJMD-NRFANRHFSA-N 1 3 368.525 2.783 20 0 FFADHO c1ccc(-c2noc(CCN3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000266711163 510742366 /nfs/dbraw/zinc/74/23/66/510742366.db2.gz HJMNTFMCQNTHER-UHFFFAOYSA-N 1 3 370.497 2.856 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178731190 510743426 /nfs/dbraw/zinc/74/34/26/510743426.db2.gz GWDIKUOWWBAFOJ-OAQYLSRUSA-N 1 3 351.494 2.585 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000178816259 510788851 /nfs/dbraw/zinc/78/88/51/510788851.db2.gz NTCVYFOSUFHEGH-JENIJYKNSA-N 1 3 357.523 2.817 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000178816259 510788858 /nfs/dbraw/zinc/78/88/58/510788858.db2.gz NTCVYFOSUFHEGH-JENIJYKNSA-N 1 3 357.523 2.817 20 0 FFADHO C[C@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247039270 510812104 /nfs/dbraw/zinc/81/21/04/510812104.db2.gz YTWJKJIGZIJWBK-XMTFNYHQSA-N 1 3 358.530 2.985 20 0 FFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000182260252 510837357 /nfs/dbraw/zinc/83/73/57/510837357.db2.gz UARUVTHYFSVRJD-BURNTYAHSA-N 1 3 356.510 2.691 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247201958 510851317 /nfs/dbraw/zinc/85/13/17/510851317.db2.gz LWFOJRICCJARRX-OTWHNJEPSA-N 1 3 352.567 2.728 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247201958 510851320 /nfs/dbraw/zinc/85/13/20/510851320.db2.gz LWFOJRICCJARRX-OTWHNJEPSA-N 1 3 352.567 2.728 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000247308146 510856317 /nfs/dbraw/zinc/85/63/17/510856317.db2.gz HITYNTZPICQELE-YVWKXTFCSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000247308146 510856318 /nfs/dbraw/zinc/85/63/18/510856318.db2.gz HITYNTZPICQELE-YVWKXTFCSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000247336095 510857629 /nfs/dbraw/zinc/85/76/29/510857629.db2.gz JSURPGMKPZBIQI-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO c1ccc(N2CCN(CCCN3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000285366597 510878711 /nfs/dbraw/zinc/87/87/11/510878711.db2.gz ANKBLTBEKIYKAW-UHFFFAOYSA-N 1 3 356.558 2.759 20 0 FFADHO COc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000364463622 510880999 /nfs/dbraw/zinc/88/09/99/510880999.db2.gz UFLSOFXRRHBXLQ-YLJYHZDGSA-N 1 3 359.514 2.728 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1(C)C ZINC000282287988 510915445 /nfs/dbraw/zinc/91/54/45/510915445.db2.gz ITPGELMNUYAOHK-UHFFFAOYSA-N 1 3 361.921 2.641 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000297642404 511019619 /nfs/dbraw/zinc/01/96/19/511019619.db2.gz ZFAAHOCELXBJOI-UHFFFAOYSA-N 1 3 350.507 2.619 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000297648222 511021824 /nfs/dbraw/zinc/02/18/24/511021824.db2.gz ZOHROKQTLVTZBW-GOSISDBHSA-N 1 3 362.543 2.572 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000297648222 511021829 /nfs/dbraw/zinc/02/18/29/511021829.db2.gz ZOHROKQTLVTZBW-GOSISDBHSA-N 1 3 362.543 2.572 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000361330193 511033931 /nfs/dbraw/zinc/03/39/31/511033931.db2.gz DVYMIUAOSHFPEN-OAQYLSRUSA-N 1 3 370.541 2.527 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000361330193 511033935 /nfs/dbraw/zinc/03/39/35/511033935.db2.gz DVYMIUAOSHFPEN-OAQYLSRUSA-N 1 3 370.541 2.527 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000364848657 511114089 /nfs/dbraw/zinc/11/40/89/511114089.db2.gz BQTJOAHLJVHMMG-BFYDXBDKSA-N 1 3 369.431 2.814 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H]1SC ZINC000291387496 511178619 /nfs/dbraw/zinc/17/86/19/511178619.db2.gz CBHBNQYMUVEJQL-VAMGGRTRSA-N 1 3 364.555 2.642 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H]1SC ZINC000291428834 511193847 /nfs/dbraw/zinc/19/38/47/511193847.db2.gz IYIDIEIERSQYDX-VAMGGRTRSA-N 1 3 364.555 2.642 20 0 FFADHO O[C@H](CNC1CC(c2ccc(Br)cc2)C1)C[NH+]1CCCC1 ZINC000279757284 511202929 /nfs/dbraw/zinc/20/29/29/511202929.db2.gz QSDWKMNOJHCCBJ-BDVYOWHSSA-N 1 3 353.304 2.741 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccccc3F)CC2)CC1 ZINC000365012870 511206022 /nfs/dbraw/zinc/20/60/22/511206022.db2.gz ZFCNAKOGAAQMLC-AZUAARDMSA-N 1 3 374.504 2.539 20 0 FFADHO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000271456799 511211026 /nfs/dbraw/zinc/21/10/26/511211026.db2.gz GTYZDOBKGAPLFQ-KRWDZBQOSA-N 1 3 350.503 2.863 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000333371126 511221277 /nfs/dbraw/zinc/22/12/77/511221277.db2.gz UZUZZBQOCAANSE-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO O=C(c1ccccc1)N1CC[C@@H](CN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000283097135 511234012 /nfs/dbraw/zinc/23/40/12/511234012.db2.gz LOWSGCJOHCJLDV-UXHICEINSA-N 1 3 355.526 2.957 20 0 FFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000283097135 511234018 /nfs/dbraw/zinc/23/40/18/511234018.db2.gz LOWSGCJOHCJLDV-UXHICEINSA-N 1 3 355.526 2.957 20 0 FFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000283097135 511234023 /nfs/dbraw/zinc/23/40/23/511234023.db2.gz LOWSGCJOHCJLDV-UXHICEINSA-N 1 3 355.526 2.957 20 0 FFADHO C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000271533894 511236000 /nfs/dbraw/zinc/23/60/00/511236000.db2.gz RLPGGCMOESYULN-RBDMOPTHSA-N 1 3 372.509 2.762 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000291567663 511249293 /nfs/dbraw/zinc/24/92/93/511249293.db2.gz DJBVRLPVRNRPED-PZJWPPBQSA-N 1 3 356.514 2.561 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)C1 ZINC000291567663 511249300 /nfs/dbraw/zinc/24/93/00/511249300.db2.gz DJBVRLPVRNRPED-PZJWPPBQSA-N 1 3 356.514 2.561 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000291627547 511273209 /nfs/dbraw/zinc/27/32/09/511273209.db2.gz ZUWYOTORMNCEPO-UHFFFAOYSA-N 1 3 351.922 2.962 20 0 FFADHO COc1cccc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)N(C)C)c1 ZINC000298447512 511287373 /nfs/dbraw/zinc/28/73/73/511287373.db2.gz XAGCXURSVUOZMF-NRFANRHFSA-N 1 3 354.498 2.952 20 0 FFADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271795855 511326538 /nfs/dbraw/zinc/32/65/38/511326538.db2.gz XEHVHVZWAKYEEL-MRXNPFEDSA-N 1 3 367.559 2.743 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000298623327 511352565 /nfs/dbraw/zinc/35/25/65/511352565.db2.gz VCQRSYDLUZBUGC-UXHICEINSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000298623327 511352573 /nfs/dbraw/zinc/35/25/73/511352573.db2.gz VCQRSYDLUZBUGC-UXHICEINSA-N 1 3 356.514 2.577 20 0 FFADHO COc1cc2nccc(NCCN3CCC([NH+](C)C)CC3)c2cc1OC ZINC000298823500 511421692 /nfs/dbraw/zinc/42/16/92/511421692.db2.gz GURLRCLUNXTIJN-UHFFFAOYSA-N 1 3 358.486 2.690 20 0 FFADHO OC1CCN(CCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000295831979 511529792 /nfs/dbraw/zinc/52/97/92/511529792.db2.gz CSVLGMUSTVXLBO-YMPZKCBVSA-N 1 3 371.569 2.724 20 0 FFADHO OC1CCN(CCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000295831979 511529796 /nfs/dbraw/zinc/52/97/96/511529796.db2.gz CSVLGMUSTVXLBO-YMPZKCBVSA-N 1 3 371.569 2.724 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000299293057 511580485 /nfs/dbraw/zinc/58/04/85/511580485.db2.gz SNCFJZNVDPBKRS-FQEVSTJZSA-N 1 3 372.557 2.677 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000299293057 511580489 /nfs/dbraw/zinc/58/04/89/511580489.db2.gz SNCFJZNVDPBKRS-FQEVSTJZSA-N 1 3 372.557 2.677 20 0 FFADHO c1ccc(CN2CCCO[C@@H](CN3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000284150365 511623977 /nfs/dbraw/zinc/62/39/77/511623977.db2.gz PKSVUTTWROOIAA-FCHUYYIVSA-N 1 3 357.542 2.838 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1)C(C)C ZINC000363591901 511646169 /nfs/dbraw/zinc/64/61/69/511646169.db2.gz IDTNVOGOVOJGAB-VQTJNVASSA-N 1 3 359.514 2.510 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1)C(C)C ZINC000363591901 511646176 /nfs/dbraw/zinc/64/61/76/511646176.db2.gz IDTNVOGOVOJGAB-VQTJNVASSA-N 1 3 359.514 2.510 20 0 FFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000284256228 511658873 /nfs/dbraw/zinc/65/88/73/511658873.db2.gz VYJTUUCWKDWHLD-OAQYLSRUSA-N 1 3 356.514 2.654 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000309650570 511771523 /nfs/dbraw/zinc/77/15/23/511771523.db2.gz ABXQOGPEDSYAPN-FCHUYYIVSA-N 1 3 354.494 2.676 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000309650570 511771529 /nfs/dbraw/zinc/77/15/29/511771529.db2.gz ABXQOGPEDSYAPN-FCHUYYIVSA-N 1 3 354.494 2.676 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000312107211 511782775 /nfs/dbraw/zinc/78/27/75/511782775.db2.gz KRYSACMUVLSMBO-HMXCVIKNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000312107211 511782781 /nfs/dbraw/zinc/78/27/81/511782781.db2.gz KRYSACMUVLSMBO-HMXCVIKNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000363824998 511791490 /nfs/dbraw/zinc/79/14/90/511791490.db2.gz MUTVOHMAHIKPMK-OXJNMPFZSA-N 1 3 372.513 2.544 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296726481 511871340 /nfs/dbraw/zinc/87/13/40/511871340.db2.gz SMIIHMWTLWUIAO-UTKZUKDTSA-N 1 3 370.541 2.823 20 0 FFADHO CN1CCN(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1(C)C ZINC000293238557 511892669 /nfs/dbraw/zinc/89/26/69/511892669.db2.gz BEJJDMCQFRUDGI-XLIONFOSSA-N 1 3 363.521 2.909 20 0 FFADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccc(CSC(F)F)o3)C2)CC1 ZINC000364205240 512019060 /nfs/dbraw/zinc/01/90/60/512019060.db2.gz GCVDPEPHRYFMFI-CYBMUJFWSA-N 1 3 359.486 2.994 20 0 FFADHO C[C@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CCN(C2CCC2)C1 ZINC000293659736 512043204 /nfs/dbraw/zinc/04/32/04/512043204.db2.gz JFDQREDOYZEHIG-QGZVFWFLSA-N 1 3 359.514 2.573 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)cc1 ZINC000293825626 512093017 /nfs/dbraw/zinc/09/30/17/512093017.db2.gz GQAVHCBQSKPOLW-LEWJYISDSA-N 1 3 373.541 2.854 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)cc1 ZINC000293825626 512093022 /nfs/dbraw/zinc/09/30/22/512093022.db2.gz GQAVHCBQSKPOLW-LEWJYISDSA-N 1 3 373.541 2.854 20 0 FFADHO CC(C)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCCC1 ZINC000411143506 512488888 /nfs/dbraw/zinc/48/88/88/512488888.db2.gz IJVZPRQIARCFGS-KRWDZBQOSA-N 1 3 353.576 2.585 20 0 FFADHO CSc1ccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000411177970 512505987 /nfs/dbraw/zinc/50/59/87/512505987.db2.gz WQGSRFAQNAGBDE-SFHVURJKSA-N 1 3 364.555 2.956 20 0 FFADHO COc1cccc(CCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000371778798 512570050 /nfs/dbraw/zinc/57/00/50/512570050.db2.gz UMERSKVTPNJEOS-UHFFFAOYSA-N 1 3 359.558 2.977 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000369773941 512602595 /nfs/dbraw/zinc/60/25/95/512602595.db2.gz FZTXQWQSCXOGMT-LEWJYISDSA-N 1 3 373.541 2.513 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(OCCN(C)C)c1 ZINC000369781393 512607667 /nfs/dbraw/zinc/60/76/67/512607667.db2.gz DQYVMKVMTXWSAI-KRWDZBQOSA-N 1 3 360.502 2.637 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c(OCCN(C)C)c1 ZINC000369781393 512607669 /nfs/dbraw/zinc/60/76/69/512607669.db2.gz DQYVMKVMTXWSAI-KRWDZBQOSA-N 1 3 360.502 2.637 20 0 FFADHO C[C@H](CN1CCOCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367677662 512612088 /nfs/dbraw/zinc/61/20/88/512612088.db2.gz FXCWALJWHPLDOA-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H](CN1CCOCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367677662 512612093 /nfs/dbraw/zinc/61/20/93/512612093.db2.gz FXCWALJWHPLDOA-IFMALSPDSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@@H](NC(=O)N1CCCC12CCN(C)CC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376072801 512647821 /nfs/dbraw/zinc/64/78/21/512647821.db2.gz XECMEQSHDMHIBT-QZTJIDSGSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](NC(=O)N1CCCC12CCN(C)CC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000376072801 512647824 /nfs/dbraw/zinc/64/78/24/512647824.db2.gz XECMEQSHDMHIBT-QZTJIDSGSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000371966783 512658348 /nfs/dbraw/zinc/65/83/48/512658348.db2.gz NLGXNXOLJFWRRC-RSPOEFSDSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000371966783 512658352 /nfs/dbraw/zinc/65/83/52/512658352.db2.gz NLGXNXOLJFWRRC-RSPOEFSDSA-N 1 3 356.514 2.575 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000371983341 512665760 /nfs/dbraw/zinc/66/57/60/512665760.db2.gz GOPCRLWXUYRQPO-VWPQPMDRSA-N 1 3 358.574 2.513 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000370128031 512781245 /nfs/dbraw/zinc/78/12/45/512781245.db2.gz CPWNRRNHUMPFOP-FPOVZHCZSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000370128031 512781251 /nfs/dbraw/zinc/78/12/51/512781251.db2.gz CPWNRRNHUMPFOP-FPOVZHCZSA-N 1 3 370.541 2.919 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)cc2)CC1 ZINC000376396979 512800197 /nfs/dbraw/zinc/80/01/97/512800197.db2.gz QDLKYGVHIJAUEZ-RXVVDRJESA-N 1 3 370.541 2.527 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@H]2CC[N@@H+]4CCC[C@@H]4C2)CC3)cc1 ZINC000378555020 512821079 /nfs/dbraw/zinc/82/10/79/512821079.db2.gz WXZPSQUOMVGREE-RCCFBDPRSA-N 1 3 355.461 2.615 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@H]2CC[N@H+]4CCC[C@@H]4C2)CC3)cc1 ZINC000378555020 512821087 /nfs/dbraw/zinc/82/10/87/512821087.db2.gz WXZPSQUOMVGREE-RCCFBDPRSA-N 1 3 355.461 2.615 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000388344662 512895127 /nfs/dbraw/zinc/89/51/27/512895127.db2.gz YUEFEPXYTMEOOE-SFTDATJTSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000388344662 512895131 /nfs/dbraw/zinc/89/51/31/512895131.db2.gz YUEFEPXYTMEOOE-SFTDATJTSA-N 1 3 354.494 2.846 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C[C@@H]21 ZINC000374630972 512927146 /nfs/dbraw/zinc/92/71/46/512927146.db2.gz NVSPHJCRTBBWLG-IZBJGVDFSA-N 1 3 359.489 2.624 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C[C@H]21 ZINC000374630969 512927298 /nfs/dbraw/zinc/92/72/98/512927298.db2.gz NVSPHJCRTBBWLG-HNBVOPMISA-N 1 3 359.489 2.624 20 0 FFADHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000397506645 512946367 /nfs/dbraw/zinc/94/63/67/512946367.db2.gz JKNIPEHJXYASNV-ZCNNSNEGSA-N 1 3 358.526 2.807 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000376739453 512966616 /nfs/dbraw/zinc/96/66/16/512966616.db2.gz JKGRHXUMHIIMPH-OAQYLSRUSA-N 1 3 357.542 2.873 20 0 FFADHO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705538 513061225 /nfs/dbraw/zinc/06/12/25/513061225.db2.gz HIOMMWGDTBJVHR-XLIONFOSSA-N 1 3 353.514 2.535 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705538 513061230 /nfs/dbraw/zinc/06/12/30/513061230.db2.gz HIOMMWGDTBJVHR-XLIONFOSSA-N 1 3 353.514 2.535 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000372872851 513083935 /nfs/dbraw/zinc/08/39/35/513083935.db2.gz LVIMGTZZBIMHME-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)C1CC1 ZINC000445971943 513154869 /nfs/dbraw/zinc/15/48/69/513154869.db2.gz QSOKDEVCIAAYRM-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417689735 513164094 /nfs/dbraw/zinc/16/40/94/513164094.db2.gz TZEYPIDUJYAUFK-QFBILLFUSA-N 1 3 360.546 2.886 20 0 FFADHO CCN1CCCN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000428694058 513166086 /nfs/dbraw/zinc/16/60/86/513166086.db2.gz APCOFVWAUNEFKS-RTBURBONSA-N 1 3 372.557 2.880 20 0 FFADHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428703991 513169420 /nfs/dbraw/zinc/16/94/20/513169420.db2.gz YVKOMWBZPHMTOB-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428703991 513169427 /nfs/dbraw/zinc/16/94/27/513169427.db2.gz YVKOMWBZPHMTOB-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000417698487 513169502 /nfs/dbraw/zinc/16/95/02/513169502.db2.gz GIFWTEACDOFRRH-DSLXNQLJSA-N 1 3 358.530 2.885 20 0 FFADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000415313600 513199675 /nfs/dbraw/zinc/19/96/75/513199675.db2.gz VNKWJNOBEFZRBC-AEFFLSMTSA-N 1 3 360.502 2.800 20 0 FFADHO C[C@@H](CCNC(=O)NCc1ccc2c(c1)CNC2)[N@H+](C)Cc1ccccc1 ZINC000417816552 513219863 /nfs/dbraw/zinc/21/98/63/513219863.db2.gz QEKWBHDIOVQLMA-KRWDZBQOSA-N 1 3 366.509 3.000 20 0 FFADHO C[C@@H](CCNC(=O)NCc1ccc2c(c1)CNC2)[N@@H+](C)Cc1ccccc1 ZINC000417816552 513219866 /nfs/dbraw/zinc/21/98/66/513219866.db2.gz QEKWBHDIOVQLMA-KRWDZBQOSA-N 1 3 366.509 3.000 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417827928 513224553 /nfs/dbraw/zinc/22/45/53/513224553.db2.gz DUNQMAAQHKAURP-XEYPJELSSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1Cc1ccccc1 ZINC000417834528 513227690 /nfs/dbraw/zinc/22/76/90/513227690.db2.gz KBSKQKQFULCLQV-MJUUVYJYSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)CN1Cc1ccccc1 ZINC000417878930 513250192 /nfs/dbraw/zinc/25/01/92/513250192.db2.gz QYACYEXSWXRQRK-GHTZIAJQSA-N 1 3 366.509 2.820 20 0 FFADHO C[C@@H]1CN(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H](C)CN1 ZINC000417900470 513266350 /nfs/dbraw/zinc/26/63/50/513266350.db2.gz USMPWUMZZMLSOS-TVFCKZIOSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCC1 ZINC000429125580 513284851 /nfs/dbraw/zinc/28/48/51/513284851.db2.gz ZOQZGNFTPQUBFI-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@]1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000418037527 513346552 /nfs/dbraw/zinc/34/65/52/513346552.db2.gz DKCZXPAHBYPKIQ-PZJWPPBQSA-N 1 3 358.530 2.873 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418132586 513385406 /nfs/dbraw/zinc/38/54/06/513385406.db2.gz DURBXXBLOBFWFY-XRXFAXGQSA-N 1 3 370.541 2.584 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000418148123 513390828 /nfs/dbraw/zinc/39/08/28/513390828.db2.gz QUXJDKULEYENDR-AHRSYUTCSA-N 1 3 358.530 2.523 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418155550 513394545 /nfs/dbraw/zinc/39/45/45/513394545.db2.gz LXACAOGPTFRECO-AABGKKOBSA-N 1 3 370.541 2.538 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418165603 513400948 /nfs/dbraw/zinc/40/09/48/513400948.db2.gz YKMGBBLDGYQCBM-VQTJNVASSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)[C@H](c1ccccc1)N(C)C ZINC000418176896 513406073 /nfs/dbraw/zinc/40/60/73/513406073.db2.gz HJOSTZNZMZYUGP-FXAWDEMLSA-N 1 3 369.513 2.552 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000418199550 513417403 /nfs/dbraw/zinc/41/74/03/513417403.db2.gz XBSLEIUXLCCKMR-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N(CC)CC)cc1 ZINC000418214020 513424103 /nfs/dbraw/zinc/42/41/03/513424103.db2.gz LLJSLQLIRBKTHY-UYAOXDASSA-N 1 3 360.546 2.931 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418242538 513438427 /nfs/dbraw/zinc/43/84/27/513438427.db2.gz VIROOFMRHSXJEI-QYZOEREBSA-N 1 3 350.551 2.528 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000418285920 513451932 /nfs/dbraw/zinc/45/19/32/513451932.db2.gz GXJSZVIEBLTHLS-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418334544 513469480 /nfs/dbraw/zinc/46/94/80/513469480.db2.gz GGYVPUOTZDYIBO-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000418371125 513487164 /nfs/dbraw/zinc/48/71/64/513487164.db2.gz XBCABDLECDOTLO-RTBURBONSA-N 1 3 362.518 2.505 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000415941763 513489945 /nfs/dbraw/zinc/48/99/45/513489945.db2.gz XGUHFHTYLBOWEP-IBGZPJMESA-N 1 3 368.481 2.810 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000415949142 513493619 /nfs/dbraw/zinc/49/36/19/513493619.db2.gz BFSCAYAKLBTSFH-UHFFFAOYSA-N 1 3 360.477 2.954 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418420906 513502411 /nfs/dbraw/zinc/50/24/11/513502411.db2.gz BPBFJJACESNEOQ-LJQANCHMSA-N 1 3 354.498 2.896 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418420906 513502418 /nfs/dbraw/zinc/50/24/18/513502418.db2.gz BPBFJJACESNEOQ-LJQANCHMSA-N 1 3 354.498 2.896 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418430783 513507339 /nfs/dbraw/zinc/50/73/39/513507339.db2.gz VNVSFHRVSTXZGQ-SFHVURJKSA-N 1 3 361.534 2.703 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418434012 513508471 /nfs/dbraw/zinc/50/84/71/513508471.db2.gz DZJHGHPOGFPIFR-UHFFFAOYSA-N 1 3 354.926 2.931 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000415996142 513526596 /nfs/dbraw/zinc/52/65/96/513526596.db2.gz MJWOISGMILGNBU-UHFFFAOYSA-N 1 3 368.481 2.942 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N2CCCC2)cc1 ZINC000415999319 513529192 /nfs/dbraw/zinc/52/91/92/513529192.db2.gz VVMGWTGAGKAGLA-CVEARBPZSA-N 1 3 372.435 2.711 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418489110 513529188 /nfs/dbraw/zinc/52/91/88/513529188.db2.gz NYPMPWJGYQKCQM-UZLBHIALSA-N 1 3 354.498 2.823 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418489110 513529193 /nfs/dbraw/zinc/52/91/93/513529193.db2.gz NYPMPWJGYQKCQM-UZLBHIALSA-N 1 3 354.498 2.823 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416017561 513541062 /nfs/dbraw/zinc/54/10/62/513541062.db2.gz YBJLFDHATJXSBF-HOCLYGCPSA-N 1 3 372.435 2.572 20 0 FFADHO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418517824 513541631 /nfs/dbraw/zinc/54/16/31/513541631.db2.gz LOLXDPRQVJYIOF-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416032763 513548730 /nfs/dbraw/zinc/54/87/30/513548730.db2.gz QMCIVIXDTDHNMW-HZPDHXFCSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@]1(CNC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)CCC[NH2+]C1 ZINC000418541557 513550588 /nfs/dbraw/zinc/55/05/88/513550588.db2.gz NOAMNWCBFJESDX-URVUXULASA-N 1 3 370.541 2.540 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418557144 513557305 /nfs/dbraw/zinc/55/73/05/513557305.db2.gz FSOQPDHYBWGHJZ-DFQSSKMNSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418564536 513559482 /nfs/dbraw/zinc/55/94/82/513559482.db2.gz WXMZOJDKVGJQAT-KAGYGMCKSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418578529 513564767 /nfs/dbraw/zinc/56/47/67/513564767.db2.gz QAYPAFONRKRCJJ-UMGGQSCQSA-N 1 3 358.530 2.679 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000430142616 513566814 /nfs/dbraw/zinc/56/68/14/513566814.db2.gz VAGKKEOPHLMFKU-TXTKFYIRSA-N 1 3 370.585 2.991 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000430142616 513566824 /nfs/dbraw/zinc/56/68/24/513566824.db2.gz VAGKKEOPHLMFKU-TXTKFYIRSA-N 1 3 370.585 2.991 20 0 FFADHO COc1cc(-c2ccccc2)ccc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000435369319 513567623 /nfs/dbraw/zinc/56/76/23/513567623.db2.gz DMBPJNWQBACGFU-HXUWFJFHSA-N 1 3 367.493 2.649 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418596287 513571345 /nfs/dbraw/zinc/57/13/45/513571345.db2.gz ORQDYVLEBSOKGA-YLJYHZDGSA-N 1 3 358.530 2.810 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418622313 513579873 /nfs/dbraw/zinc/57/98/73/513579873.db2.gz NDSNQJUZYGYSSS-HNBVOPMISA-N 1 3 358.530 2.994 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCN1C(=O)c2ccccc2C1=O ZINC000447820693 513583157 /nfs/dbraw/zinc/58/31/57/513583157.db2.gz ICNSMIROQRAPAM-QFBILLFUSA-N 1 3 357.498 2.773 20 0 FFADHO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000418715244 513621712 /nfs/dbraw/zinc/62/17/12/513621712.db2.gz IKNZJIBHHLDVLX-SFTDATJTSA-N 1 3 372.557 2.854 20 0 FFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418749942 513639103 /nfs/dbraw/zinc/63/91/03/513639103.db2.gz CXANSMCMWCXSOI-OAHLLOKOSA-N 1 3 374.501 2.599 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418751481 513639260 /nfs/dbraw/zinc/63/92/60/513639260.db2.gz RFVHPYYHERRNQD-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418762521 513645233 /nfs/dbraw/zinc/64/52/33/513645233.db2.gz IWIZJZFGVUCFGW-XUVXKRRUSA-N 1 3 358.530 2.667 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418762632 513645449 /nfs/dbraw/zinc/64/54/49/513645449.db2.gz HGWSHWSSTMHIAD-IBGZPJMESA-N 1 3 373.545 2.862 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447984993 513647620 /nfs/dbraw/zinc/64/76/20/513647620.db2.gz CJFLSMVXNBFHPI-ROUUACIJSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000447984993 513647624 /nfs/dbraw/zinc/64/76/24/513647624.db2.gz CJFLSMVXNBFHPI-ROUUACIJSA-N 1 3 352.567 2.918 20 0 FFADHO COc1cc(NC(=O)CCN2CCC[C@H]([C@@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000430555235 513686639 /nfs/dbraw/zinc/68/66/39/513686639.db2.gz HVIGNIINMLQKGN-OLZOCXBDSA-N 1 3 369.893 2.745 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000448247703 513717266 /nfs/dbraw/zinc/71/72/66/513717266.db2.gz GFOVIRZKBOSBJT-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425726024 513717763 /nfs/dbraw/zinc/71/77/63/513717763.db2.gz OBEAVDLQBGGIKZ-FYZZASKESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425726024 513717769 /nfs/dbraw/zinc/71/77/69/513717769.db2.gz OBEAVDLQBGGIKZ-FYZZASKESA-N 1 3 370.541 2.633 20 0 FFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000448256833 513721179 /nfs/dbraw/zinc/72/11/79/513721179.db2.gz ORAPGHQWYMBHRP-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCOc1cccc2ccccc21 ZINC000436054168 513748418 /nfs/dbraw/zinc/74/84/18/513748418.db2.gz HAZUJDIVWIZAGD-IBGZPJMESA-N 1 3 369.509 2.928 20 0 FFADHO C[C@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H](N)c1ccccc1 ZINC000430797617 513750488 /nfs/dbraw/zinc/75/04/88/513750488.db2.gz FFANCNZKPULMAG-OXJNMPFZSA-N 1 3 351.494 2.538 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000448461485 513762461 /nfs/dbraw/zinc/76/24/61/513762461.db2.gz LQAKZRNKEZMGJC-RTWAWAEBSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000448461485 513762469 /nfs/dbraw/zinc/76/24/69/513762469.db2.gz LQAKZRNKEZMGJC-RTWAWAEBSA-N 1 3 374.573 2.827 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000425940978 513803386 /nfs/dbraw/zinc/80/33/86/513803386.db2.gz CKWBDHCKCZYIMP-HZPDHXFCSA-N 1 3 355.548 2.565 20 0 FFADHO CO[C@@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000451574738 513844717 /nfs/dbraw/zinc/84/47/17/513844717.db2.gz RXZXHIDMUMBNAY-DBXWQHBBSA-N 1 3 373.541 2.513 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCN1Cc1ccccc1 ZINC000422607278 513869828 /nfs/dbraw/zinc/86/98/28/513869828.db2.gz TZMBRJJLJDEEGG-HKUYNNGSSA-N 1 3 356.514 2.577 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422767708 513926957 /nfs/dbraw/zinc/92/69/57/513926957.db2.gz YUHOQGRCYGFGER-CBPXPLCBSA-N 1 3 373.541 2.579 20 0 FFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422771695 513927265 /nfs/dbraw/zinc/92/72/65/513927265.db2.gz YFTIYUQGKGVYPF-ZGXWSNOMSA-N 1 3 361.505 2.850 20 0 FFADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000422774061 513928379 /nfs/dbraw/zinc/92/83/79/513928379.db2.gz ZWWACCBAHQTROL-AQNXPRMDSA-N 1 3 373.541 2.572 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000448852236 513933287 /nfs/dbraw/zinc/93/32/87/513933287.db2.gz ILILOUZKLJGDPZ-CYBMUJFWSA-N 1 3 360.424 2.522 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000448852236 513933292 /nfs/dbraw/zinc/93/32/92/513933292.db2.gz ILILOUZKLJGDPZ-CYBMUJFWSA-N 1 3 360.424 2.522 20 0 FFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(OC(F)(F)F)c1 ZINC000422798112 513936466 /nfs/dbraw/zinc/93/64/66/513936466.db2.gz PTZWMEOHSORCAU-JZWPEALZSA-N 1 3 358.404 2.609 20 0 FFADHO c1cc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc(C[NH+]2CCCCCC2)c1 ZINC000422831003 513946409 /nfs/dbraw/zinc/94/64/09/513946409.db2.gz RXFMPEQJPFNKIG-VXKWHMMOSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422856833 513955110 /nfs/dbraw/zinc/95/51/10/513955110.db2.gz GRQCVQHNZWSDIZ-JTAQYXEDSA-N 1 3 366.553 2.745 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000422862033 513955622 /nfs/dbraw/zinc/95/56/22/513955622.db2.gz NEKXPHBQKDJCJS-KKSFZXQISA-N 1 3 369.484 2.978 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422893909 513966970 /nfs/dbraw/zinc/96/69/70/513966970.db2.gz RLAYNTKQADBSAX-KPOBHBOGSA-N 1 3 371.456 2.920 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000416793837 513969847 /nfs/dbraw/zinc/96/98/47/513969847.db2.gz OHXFEUIVLUAMTN-HXUWFJFHSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431699363 513972841 /nfs/dbraw/zinc/97/28/41/513972841.db2.gz QJFJHEPOQSVRGC-QFUCXCTJSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431699363 513972848 /nfs/dbraw/zinc/97/28/48/513972848.db2.gz QJFJHEPOQSVRGC-QFUCXCTJSA-N 1 3 370.541 2.918 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000422924034 513976972 /nfs/dbraw/zinc/97/69/72/513976972.db2.gz XLZDUUGZTHNUDY-MTOHEIAKSA-N 1 3 364.493 2.656 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cc2)C[C@@H](C)O1 ZINC000422942045 513985030 /nfs/dbraw/zinc/98/50/30/513985030.db2.gz JXHPJHWCZHZVKD-XNFNUYLZSA-N 1 3 359.514 2.686 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416828306 513987387 /nfs/dbraw/zinc/98/73/87/513987387.db2.gz DPYZIRUJRHHJQU-HZPDHXFCSA-N 1 3 352.548 2.804 20 0 FFADHO C[NH2+][C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000416832091 513989432 /nfs/dbraw/zinc/98/94/32/513989432.db2.gz IFSKXGGLZWTAPD-JKSUJKDBSA-N 1 3 350.532 2.524 20 0 FFADHO c1cnc2c(c1)cccc2OCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422952199 513989759 /nfs/dbraw/zinc/98/97/59/513989759.db2.gz AJXHAYTTWNTVJN-CEXWTWQISA-N 1 3 355.482 2.750 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC(CC[NH2+]C)CC2)N(C)C)cc1 ZINC000416832473 513990006 /nfs/dbraw/zinc/99/00/06/513990006.db2.gz BRGAVXYMCIGXRB-HXUWFJFHSA-N 1 3 360.546 2.883 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422956650 513991278 /nfs/dbraw/zinc/99/12/78/513991278.db2.gz QAYIQAKIBINEHF-INIZCTEOSA-N 1 3 368.529 2.947 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416836216 513991515 /nfs/dbraw/zinc/99/15/15/513991515.db2.gz ZKLCORNNAWXFAX-HQRMLTQVSA-N 1 3 374.529 2.519 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N2CCCC2)c1 ZINC000416840146 513992903 /nfs/dbraw/zinc/99/29/03/513992903.db2.gz DZSQKVRSFFWNMI-LPHOPBHVSA-N 1 3 362.518 2.649 20 0 FFADHO c1ccc(N2CC[C@H](N[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)nc1 ZINC000422964833 513994120 /nfs/dbraw/zinc/99/41/20/513994120.db2.gz JWDRWZHFEUWQNR-CDXJDZJCSA-N 1 3 350.466 2.506 20 0 FFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422973018 513995269 /nfs/dbraw/zinc/99/52/69/513995269.db2.gz AXFYRPRWDCDKMQ-UZLBHIALSA-N 1 3 355.482 2.688 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416841414 513997020 /nfs/dbraw/zinc/99/70/20/513997020.db2.gz MABSWBJTBLFDFR-CVEARBPZSA-N 1 3 350.532 2.716 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000416844425 513998875 /nfs/dbraw/zinc/99/88/75/513998875.db2.gz PUZSZKIIWPMRBM-INIZCTEOSA-N 1 3 362.543 2.670 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416847569 514000125 /nfs/dbraw/zinc/00/01/25/514000125.db2.gz VJNQPQYNJXTRNO-XHSDSOJGSA-N 1 3 350.532 2.702 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414188801 514002750 /nfs/dbraw/zinc/00/27/50/514002750.db2.gz JHIWRIXKVXVCIS-RTWAWAEBSA-N 1 3 357.542 2.709 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)N2CCCC2)c1 ZINC000416853935 514004384 /nfs/dbraw/zinc/00/43/84/514004384.db2.gz OMYAUHXUNJXKRD-WOJBJXKFSA-N 1 3 374.529 2.649 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000431803213 514008338 /nfs/dbraw/zinc/00/83/38/514008338.db2.gz XBEBHHAXGAVXMV-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000431803213 514008343 /nfs/dbraw/zinc/00/83/43/514008343.db2.gz XBEBHHAXGAVXMV-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO CSc1ccccc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414202770 514008928 /nfs/dbraw/zinc/00/89/28/514008928.db2.gz UTUPFLPDWKORPC-QGZVFWFLSA-N 1 3 363.571 2.856 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)(N2CCOCC2)CC1 ZINC000414199177 514008971 /nfs/dbraw/zinc/00/89/71/514008971.db2.gz QVDISQSDDMVAPY-YADHBBJMSA-N 1 3 371.569 2.784 20 0 FFADHO COc1ccc(C[C@H](C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000423022905 514010817 /nfs/dbraw/zinc/01/08/17/514010817.db2.gz INQLXHPUZSNXOP-GDAAHCPNSA-N 1 3 362.514 2.629 20 0 FFADHO CN(CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416872985 514015914 /nfs/dbraw/zinc/01/59/14/514015914.db2.gz MTHJJDXLDFAHBZ-PMACEKPBSA-N 1 3 358.530 2.540 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423056907 514020629 /nfs/dbraw/zinc/02/06/29/514020629.db2.gz ZAOLGJLJGYWPIJ-BJJXKVORSA-N 1 3 355.404 2.523 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416893232 514027950 /nfs/dbraw/zinc/02/79/50/514027950.db2.gz BYNBHXGHUOMSOO-FXAWDEMLSA-N 1 3 358.530 2.989 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416902776 514036187 /nfs/dbraw/zinc/03/61/87/514036187.db2.gz MBBSOLQMSKSXDZ-UXHICEINSA-N 1 3 356.514 2.708 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423112574 514046996 /nfs/dbraw/zinc/04/69/96/514046996.db2.gz SAHVYGHUHALAPU-CEXWTWQISA-N 1 3 355.482 2.573 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423112574 514047002 /nfs/dbraw/zinc/04/70/02/514047002.db2.gz SAHVYGHUHALAPU-CEXWTWQISA-N 1 3 355.482 2.573 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H]3CCCCC[C@H]3N)CC2)cc1 ZINC000423160239 514064573 /nfs/dbraw/zinc/06/45/73/514064573.db2.gz ZJNIIHOKHHAUOB-RTWAWAEBSA-N 1 3 358.530 2.859 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2nc3c(s2)CCC3)CC[NH2+]CC1 ZINC000423169674 514067591 /nfs/dbraw/zinc/06/75/91/514067591.db2.gz KAZPADHYYXGDPK-STQMWFEESA-N 1 3 351.516 2.604 20 0 FFADHO C[C@@H]1C[C@@H](CCNCc2cnc(N(C)C)n2C)C[N@@H+]1Cc1ccccc1 ZINC000414365540 514067757 /nfs/dbraw/zinc/06/77/57/514067757.db2.gz MCOMRQVLZBRHEF-IEBWSBKVSA-N 1 3 355.530 2.876 20 0 FFADHO C[C@@H]1C[C@@H](CCNCc2cnc(N(C)C)n2C)C[N@H+]1Cc1ccccc1 ZINC000414365540 514067761 /nfs/dbraw/zinc/06/77/61/514067761.db2.gz MCOMRQVLZBRHEF-IEBWSBKVSA-N 1 3 355.530 2.876 20 0 FFADHO C[C@H]1C[C@H](CCNCc2cnc(N(C)C)n2C)C[N@@H+]1Cc1ccccc1 ZINC000414365539 514068470 /nfs/dbraw/zinc/06/84/70/514068470.db2.gz MCOMRQVLZBRHEF-HKUYNNGSSA-N 1 3 355.530 2.876 20 0 FFADHO C[C@H]1C[C@H](CCNCc2cnc(N(C)C)n2C)C[N@H+]1Cc1ccccc1 ZINC000414365539 514068480 /nfs/dbraw/zinc/06/84/80/514068480.db2.gz MCOMRQVLZBRHEF-HKUYNNGSSA-N 1 3 355.530 2.876 20 0 FFADHO Brc1cccc2c1OCCC[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423175319 514070296 /nfs/dbraw/zinc/07/02/96/514070296.db2.gz DQQCFIKZEDHRJK-MRXNPFEDSA-N 1 3 368.319 2.548 20 0 FFADHO OC[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423173850 514070318 /nfs/dbraw/zinc/07/03/18/514070318.db2.gz AIEIARZYCFSLFN-LRQRDZAKSA-N 1 3 356.441 2.747 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1cnccc1N ZINC000423177678 514071723 /nfs/dbraw/zinc/07/17/23/514071723.db2.gz HLAMESBIPZYOHH-HGHGUNKESA-N 1 3 354.498 2.682 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1cnccc1N ZINC000423177678 514071726 /nfs/dbraw/zinc/07/17/26/514071726.db2.gz HLAMESBIPZYOHH-HGHGUNKESA-N 1 3 354.498 2.682 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cnccc1N ZINC000423177678 514071730 /nfs/dbraw/zinc/07/17/30/514071730.db2.gz HLAMESBIPZYOHH-HGHGUNKESA-N 1 3 354.498 2.682 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCNC(C)(C)C1 ZINC000416972867 514078817 /nfs/dbraw/zinc/07/88/17/514078817.db2.gz IVPXEHCYTVEGEY-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCNC(C)(C)C1 ZINC000416972867 514078821 /nfs/dbraw/zinc/07/88/21/514078821.db2.gz IVPXEHCYTVEGEY-QGZVFWFLSA-N 1 3 358.530 2.954 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3C[C@@H](C)NC[C@H]3C)cc2)CC1 ZINC000416972509 514079167 /nfs/dbraw/zinc/07/91/67/514079167.db2.gz INCZQODZJAJMNL-QZTJIDSGSA-N 1 3 358.530 2.810 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000416975205 514081127 /nfs/dbraw/zinc/08/11/27/514081127.db2.gz MNSRMRQBHUHIST-LJQANCHMSA-N 1 3 358.530 2.791 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416982314 514089631 /nfs/dbraw/zinc/08/96/31/514089631.db2.gz WCWNBCFCHCZSJC-FXAWDEMLSA-N 1 3 358.530 2.605 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423265795 514095967 /nfs/dbraw/zinc/09/59/67/514095967.db2.gz CZVXNCHBPZADBM-KVSKMBFKSA-N 1 3 367.559 2.885 20 0 FFADHO CC[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCc2ccccc2C1 ZINC000417002603 514108625 /nfs/dbraw/zinc/10/86/25/514108625.db2.gz AQIWWQOJEHLKTG-HXUWFJFHSA-N 1 3 370.541 2.608 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000449213333 514116459 /nfs/dbraw/zinc/11/64/59/514116459.db2.gz JZLSKMHHFYIQFZ-MRXNPFEDSA-N 1 3 373.607 2.537 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000449213333 514116468 /nfs/dbraw/zinc/11/64/68/514116468.db2.gz JZLSKMHHFYIQFZ-MRXNPFEDSA-N 1 3 373.607 2.537 20 0 FFADHO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000423365901 514119004 /nfs/dbraw/zinc/11/90/04/514119004.db2.gz KWPIRBPBDZRDBU-LJQANCHMSA-N 1 3 359.514 2.608 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000417023703 514126923 /nfs/dbraw/zinc/12/69/23/514126923.db2.gz WFCMYOUCCFTOEA-HWPVKAJDSA-N 1 3 370.541 2.748 20 0 FFADHO [NH3+]CC1(O)CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000420398524 514130670 /nfs/dbraw/zinc/13/06/70/514130670.db2.gz AMQKIJICSHRXLW-UHFFFAOYSA-N 1 3 369.465 2.593 20 0 FFADHO COC[C@]1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCCN1 ZINC000423411081 514133091 /nfs/dbraw/zinc/13/30/91/514133091.db2.gz DZNTXPWBKVGNRH-RHSMWYFYSA-N 1 3 353.304 2.665 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000427180241 514142334 /nfs/dbraw/zinc/14/23/34/514142334.db2.gz VJSVRDFYMCXGKV-WOJBJXKFSA-N 1 3 365.562 2.600 20 0 FFADHO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000423471617 514147680 /nfs/dbraw/zinc/14/76/80/514147680.db2.gz MPRRLEBPDQNAOW-BJJXKVORSA-N 1 3 373.950 2.806 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000417079641 514157118 /nfs/dbraw/zinc/15/71/18/514157118.db2.gz NJKXYEFTCPDDCG-AQNXPRMDSA-N 1 3 352.482 2.766 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000417079641 514157124 /nfs/dbraw/zinc/15/71/24/514157124.db2.gz NJKXYEFTCPDDCG-AQNXPRMDSA-N 1 3 352.482 2.766 20 0 FFADHO C[C@H](NC1CCC([NH+]2CCNCC2)CC1)c1ncc(Br)s1 ZINC000423521807 514160468 /nfs/dbraw/zinc/16/04/68/514160468.db2.gz UADDSKRRBUSHBS-HIFPTAJRSA-N 1 3 373.364 2.773 20 0 FFADHO C[C@H](NC1CCC(N2CC[NH2+]CC2)CC1)c1ncc(Br)s1 ZINC000423521807 514160477 /nfs/dbraw/zinc/16/04/77/514160477.db2.gz UADDSKRRBUSHBS-HIFPTAJRSA-N 1 3 373.364 2.773 20 0 FFADHO CC(C)(CNC(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCc2ccccc2C1 ZINC000417088815 514162829 /nfs/dbraw/zinc/16/28/29/514162829.db2.gz LUAJTTITYTVFLC-IBGZPJMESA-N 1 3 358.530 2.640 20 0 FFADHO OC1(C[NH2+]Cc2cccc3c[nH]nc32)CCN(Cc2ccccc2)CC1 ZINC000414549659 514174310 /nfs/dbraw/zinc/17/43/10/514174310.db2.gz LSWCEWJOBZATIR-UHFFFAOYSA-N 1 3 350.466 2.680 20 0 FFADHO NC(=O)C1CC[NH+](Cc2ccc(CNC/C=C\c3ccncc3)cc2)CC1 ZINC000414552037 514175820 /nfs/dbraw/zinc/17/58/20/514175820.db2.gz GGXZNKWGWJFBAW-UPHRSURJSA-N 1 3 364.493 2.582 20 0 FFADHO C[S@@](=O)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000414556937 514178646 /nfs/dbraw/zinc/17/86/46/514178646.db2.gz YYBJUDPBUBHWRQ-AREMUKBSSA-N 1 3 372.534 2.541 20 0 FFADHO [NH3+][C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000417123293 514179624 /nfs/dbraw/zinc/17/96/24/514179624.db2.gz YORBODVYYCOSMV-WOJBJXKFSA-N 1 3 352.482 2.650 20 0 FFADHO COCCOC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000449392713 514192376 /nfs/dbraw/zinc/19/23/76/514192376.db2.gz KKEHCOLEKCRTHI-UYAOXDASSA-N 1 3 368.562 2.831 20 0 FFADHO COCCOC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCOCC1 ZINC000449392713 514192378 /nfs/dbraw/zinc/19/23/78/514192378.db2.gz KKEHCOLEKCRTHI-UYAOXDASSA-N 1 3 368.562 2.831 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423743186 514216831 /nfs/dbraw/zinc/21/68/31/514216831.db2.gz JSFJCRHNTPYYJA-OAHLLOKOSA-N 1 3 353.457 2.635 20 0 FFADHO O=C(N1CCCN(CCCc2ccccc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423754957 514219616 /nfs/dbraw/zinc/21/96/16/514219616.db2.gz ZWAVAUCXFCZKCT-IFMALSPDSA-N 1 3 355.526 2.543 20 0 FFADHO N[C@@H](CC(F)F)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423763941 514222112 /nfs/dbraw/zinc/22/21/12/514222112.db2.gz UYSLGUFLEVDGBF-HNNXBMFYSA-N 1 3 359.848 2.747 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000423769958 514224627 /nfs/dbraw/zinc/22/46/27/514224627.db2.gz CWOMQUSNJSIJOJ-YSGRDPCXSA-N 1 3 355.457 2.505 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000423840543 514258431 /nfs/dbraw/zinc/25/84/31/514258431.db2.gz FCZHQWMUVVSXAW-QGZVFWFLSA-N 1 3 366.509 2.799 20 0 FFADHO CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414753660 514275706 /nfs/dbraw/zinc/27/57/06/514275706.db2.gz MSRZGDIPFGAJGD-WOJBJXKFSA-N 1 3 357.542 2.872 20 0 FFADHO CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414753660 514275711 /nfs/dbraw/zinc/27/57/11/514275711.db2.gz MSRZGDIPFGAJGD-WOJBJXKFSA-N 1 3 357.542 2.872 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000417316917 514291483 /nfs/dbraw/zinc/29/14/83/514291483.db2.gz VDTVCQXIYMVHLM-QRVBRYPASA-N 1 3 350.551 2.671 20 0 FFADHO CC[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000420787824 514298656 /nfs/dbraw/zinc/29/86/56/514298656.db2.gz CKGODOLDMTUBIW-UXHICEINSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000420787824 514298664 /nfs/dbraw/zinc/29/86/64/514298664.db2.gz CKGODOLDMTUBIW-UXHICEINSA-N 1 3 358.530 2.559 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000420793158 514301802 /nfs/dbraw/zinc/30/18/02/514301802.db2.gz QIJIGNMBEQADQW-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000420793158 514301804 /nfs/dbraw/zinc/30/18/04/514301804.db2.gz QIJIGNMBEQADQW-VTHDOGFWSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]1NCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@H]1C ZINC000417360125 514311093 /nfs/dbraw/zinc/31/10/93/514311093.db2.gz XBJVCFQAZAKZOV-MSOLQXFVSA-N 1 3 358.530 2.954 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000420827204 514323354 /nfs/dbraw/zinc/32/33/54/514323354.db2.gz BTXMMPKYZWCXGL-UXHICEINSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000420827204 514323359 /nfs/dbraw/zinc/32/33/59/514323359.db2.gz BTXMMPKYZWCXGL-UXHICEINSA-N 1 3 358.530 2.633 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NCC1CCN(Cc2cccs2)CC1 ZINC000417390691 514328805 /nfs/dbraw/zinc/32/88/05/514328805.db2.gz ZHFDRIAWDANSFN-INIZCTEOSA-N 1 3 364.559 2.649 20 0 FFADHO CC(=O)c1ccc(C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000424019466 514344132 /nfs/dbraw/zinc/34/41/32/514344132.db2.gz LTAORJSQCBYZFJ-UHFFFAOYSA-N 1 3 365.477 2.613 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414906801 514350871 /nfs/dbraw/zinc/35/08/71/514350871.db2.gz MRWHQVGSQDTUCY-YCRPNKLZSA-N 1 3 372.513 2.732 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906801 514350879 /nfs/dbraw/zinc/35/08/79/514350879.db2.gz MRWHQVGSQDTUCY-YCRPNKLZSA-N 1 3 372.513 2.732 20 0 FFADHO O=C1CC[C@@H](NCc2ccc(F)cc2C(F)(F)F)[C@H](C2CC[NH2+]CC2)N1 ZINC000414989428 514389532 /nfs/dbraw/zinc/38/95/32/514389532.db2.gz NLJDNRBSAGSOKT-WBVHZDCISA-N 1 3 373.394 2.581 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018017 514403616 /nfs/dbraw/zinc/40/36/16/514403616.db2.gz BBVSLMRCTJTEMX-QAQDUYKDSA-N 1 3 370.497 2.904 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([NH2+]CC2CC2)CC1)N(C)Cc1ccccc1 ZINC000417586494 514423828 /nfs/dbraw/zinc/42/38/28/514423828.db2.gz MRQFGUWSPRDQCZ-KRWDZBQOSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417596279 514430136 /nfs/dbraw/zinc/43/01/36/514430136.db2.gz ZMTJYARPISMTLN-RLLQIKCJSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000415082380 514436059 /nfs/dbraw/zinc/43/60/59/514436059.db2.gz LWVUEEDSCOHCPZ-HLRQEUIKSA-N 1 3 357.542 2.918 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000415085423 514436485 /nfs/dbraw/zinc/43/64/85/514436485.db2.gz IDPGQEBOBKUXIR-TZIWHRDSSA-N 1 3 351.494 2.757 20 0 FFADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1OC(F)F ZINC000415091353 514438622 /nfs/dbraw/zinc/43/86/22/514438622.db2.gz YYRHGYAWQXANJN-ZFWWWQNUSA-N 1 3 355.429 2.526 20 0 FFADHO CCCCN(C)CCNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000417616301 514439175 /nfs/dbraw/zinc/43/91/75/514439175.db2.gz YMANUHHELHWLHU-PKOBYXMFSA-N 1 3 364.509 2.550 20 0 FFADHO CN1CC[C@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000445220870 514446085 /nfs/dbraw/zinc/44/60/85/514446085.db2.gz VSDHSABVJVQPNW-OALUTQOASA-N 1 3 358.530 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)NCC[N@H+]2CCCC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000445220870 514446087 /nfs/dbraw/zinc/44/60/87/514446087.db2.gz VSDHSABVJVQPNW-OALUTQOASA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)CCOc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415125440 514453785 /nfs/dbraw/zinc/45/37/85/514453785.db2.gz LFDSFRPHERWHCE-IBGZPJMESA-N 1 3 357.502 2.999 20 0 FFADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3CN3CCC(O)CC3)C[C@H]2C1 ZINC000424308642 514453856 /nfs/dbraw/zinc/45/38/56/514453856.db2.gz GTXHBXGBCUDDCY-DLRWMDTOSA-N 1 3 358.526 2.937 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415123172 514454137 /nfs/dbraw/zinc/45/41/37/514454137.db2.gz JDBXLKQTIGPOTO-HXUWFJFHSA-N 1 3 370.545 2.532 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000415123172 514454143 /nfs/dbraw/zinc/45/41/43/514454143.db2.gz JDBXLKQTIGPOTO-HXUWFJFHSA-N 1 3 370.545 2.532 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[NH+](C)C)cc1 ZINC000438886274 514460712 /nfs/dbraw/zinc/46/07/12/514460712.db2.gz WKIONDHDJGSWST-PZJWPPBQSA-N 1 3 364.493 2.765 20 0 FFADHO COc1cc(CN2CCC(O)(C[NH3+])CC2)c(-c2ccccc2)cc1OC ZINC000415145194 514468616 /nfs/dbraw/zinc/46/86/16/514468616.db2.gz WAYVPUHQAQWKRZ-UHFFFAOYSA-N 1 3 356.466 2.656 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000438965349 514473693 /nfs/dbraw/zinc/47/36/93/514473693.db2.gz RVEBQJBAHPIOIQ-HUUCEWRRSA-N 1 3 351.457 2.982 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433573449 514518640 /nfs/dbraw/zinc/51/86/40/514518640.db2.gz XNJNPPQLNRABIL-LJQANCHMSA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](Cn2cccn2)C(C)C)CC1 ZINC000453058937 514532943 /nfs/dbraw/zinc/53/29/43/514532943.db2.gz HRSMNUNXCXEXFX-JOCHJYFZSA-N 1 3 369.557 2.835 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453067389 514534399 /nfs/dbraw/zinc/53/43/99/514534399.db2.gz XPTZVLHNRUTEPB-MSOLQXFVSA-N 1 3 355.530 2.764 20 0 FFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)CO2 ZINC000453105540 514545319 /nfs/dbraw/zinc/54/53/19/514545319.db2.gz WXDPCZGIYCABII-LJQANCHMSA-N 1 3 370.493 2.771 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)CC[N@@H+]1C ZINC000466053376 514549987 /nfs/dbraw/zinc/54/99/87/514549987.db2.gz UMFDFWAAVPKXED-ICSRJNTNSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)CC[N@H+]1C ZINC000466053376 514549995 /nfs/dbraw/zinc/54/99/95/514549995.db2.gz UMFDFWAAVPKXED-ICSRJNTNSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000466136421 514565163 /nfs/dbraw/zinc/56/51/63/514565163.db2.gz DZBNMEWLEMJEFE-OIISXLGYSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000466136421 514565164 /nfs/dbraw/zinc/56/51/64/514565164.db2.gz DZBNMEWLEMJEFE-OIISXLGYSA-N 1 3 362.543 2.667 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000453374631 514614218 /nfs/dbraw/zinc/61/42/18/514614218.db2.gz ZRLTZPKVLQKNOW-CDXJDZJCSA-N 1 3 372.513 2.931 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)C1CC1 ZINC000458192372 514614325 /nfs/dbraw/zinc/61/43/25/514614325.db2.gz HQHRUVWVFIYBBQ-SFHVURJKSA-N 1 3 364.559 2.795 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)C1CC1 ZINC000458192372 514614336 /nfs/dbraw/zinc/61/43/36/514614336.db2.gz HQHRUVWVFIYBBQ-SFHVURJKSA-N 1 3 364.559 2.795 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000507958139 514622043 /nfs/dbraw/zinc/62/20/43/514622043.db2.gz VMUASYSWPBNWMN-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccnn1CCN(C)C ZINC000455652875 514659198 /nfs/dbraw/zinc/65/91/98/514659198.db2.gz ZSKXHHBZGZNZQS-UHFFFAOYSA-N 1 3 364.538 2.565 20 0 FFADHO OCCN1CCN(CCCC[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000497859539 514662712 /nfs/dbraw/zinc/66/27/12/514662712.db2.gz SJAWRCSALGWQNJ-UHFFFAOYSA-N 1 3 365.521 2.736 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466513173 514668819 /nfs/dbraw/zinc/66/88/19/514668819.db2.gz HHFZMDMFYHAQNO-AZUAARDMSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466513173 514668825 /nfs/dbraw/zinc/66/88/25/514668825.db2.gz HHFZMDMFYHAQNO-AZUAARDMSA-N 1 3 370.541 2.919 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000461656591 514685838 /nfs/dbraw/zinc/68/58/38/514685838.db2.gz BLTOJEBJZSTTII-SQGPQFPESA-N 1 3 374.529 2.566 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000461656591 514685849 /nfs/dbraw/zinc/68/58/49/514685849.db2.gz BLTOJEBJZSTTII-SQGPQFPESA-N 1 3 374.529 2.566 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000466569698 514696370 /nfs/dbraw/zinc/69/63/70/514696370.db2.gz IPUBCKORQWHSHT-BXWFABGCSA-N 1 3 358.530 2.898 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455768998 514728755 /nfs/dbraw/zinc/72/87/55/514728755.db2.gz KZKCOFBBHFEAJS-GBESFXJTSA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455768998 514728764 /nfs/dbraw/zinc/72/87/64/514728764.db2.gz KZKCOFBBHFEAJS-GBESFXJTSA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000455768999 514731183 /nfs/dbraw/zinc/73/11/83/514731183.db2.gz KZKCOFBBHFEAJS-QYZOEREBSA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455768999 514731193 /nfs/dbraw/zinc/73/11/93/514731193.db2.gz KZKCOFBBHFEAJS-QYZOEREBSA-N 1 3 361.555 2.580 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000489250791 514771359 /nfs/dbraw/zinc/77/13/59/514771359.db2.gz IUEOAWGGWVMHQZ-MBOZVWFJSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000489250791 514771361 /nfs/dbraw/zinc/77/13/61/514771361.db2.gz IUEOAWGGWVMHQZ-MBOZVWFJSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489293577 514785396 /nfs/dbraw/zinc/78/53/96/514785396.db2.gz NLGBBZSCJDIBAM-GTAWCEEGSA-N 1 3 358.530 2.994 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000462005086 514826301 /nfs/dbraw/zinc/82/63/01/514826301.db2.gz CISXYZXAYSIWNF-INIZCTEOSA-N 1 3 352.498 2.628 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000462005086 514826309 /nfs/dbraw/zinc/82/63/09/514826309.db2.gz CISXYZXAYSIWNF-INIZCTEOSA-N 1 3 352.498 2.628 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000484972465 514859707 /nfs/dbraw/zinc/85/97/07/514859707.db2.gz OMYIOPBQBYPPJQ-YLJYHZDGSA-N 1 3 351.494 2.951 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000471389232 514861915 /nfs/dbraw/zinc/86/19/15/514861915.db2.gz UMWDWDSKGZUSCX-UHFFFAOYSA-N 1 3 355.526 2.769 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000489488113 514868793 /nfs/dbraw/zinc/86/87/93/514868793.db2.gz WEULXEBWBUZEFB-UZKOGDIHSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000489488113 514868802 /nfs/dbraw/zinc/86/88/02/514868802.db2.gz WEULXEBWBUZEFB-UZKOGDIHSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCN(c2ccc(C(F)(F)F)cc2CNC2CC[NH+](C)CC2)CC1 ZINC000462122818 514895839 /nfs/dbraw/zinc/89/58/39/514895839.db2.gz MFGXCHFWHAMBNR-UHFFFAOYSA-N 1 3 370.463 2.641 20 0 FFADHO CN1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC1 ZINC000462122818 514895845 /nfs/dbraw/zinc/89/58/45/514895845.db2.gz MFGXCHFWHAMBNR-UHFFFAOYSA-N 1 3 370.463 2.641 20 0 FFADHO C[C@H]1CN(Cc2ccccc2-c2ccnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000508880810 514934191 /nfs/dbraw/zinc/93/41/91/514934191.db2.gz XBGXLURHJNYPBE-RXVVDRJESA-N 1 3 367.541 2.545 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000485169749 514942289 /nfs/dbraw/zinc/94/22/89/514942289.db2.gz JPJQHRAQLHIOCU-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000489778277 514972439 /nfs/dbraw/zinc/97/24/39/514972439.db2.gz GAFYBBQWSHKDGH-OALUTQOASA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000489778277 514972451 /nfs/dbraw/zinc/97/24/51/514972451.db2.gz GAFYBBQWSHKDGH-OALUTQOASA-N 1 3 364.578 2.870 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN1CCCC1 ZINC000489854954 515001416 /nfs/dbraw/zinc/00/14/16/515001416.db2.gz HVEGRCDCBSIRIL-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN1CCCC1 ZINC000489854954 515001425 /nfs/dbraw/zinc/00/14/25/515001425.db2.gz HVEGRCDCBSIRIL-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498688763 515023769 /nfs/dbraw/zinc/02/37/69/515023769.db2.gz HXMYZRNOFCCQBX-HFSMHLIXSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498688763 515023780 /nfs/dbraw/zinc/02/37/80/515023780.db2.gz HXMYZRNOFCCQBX-HFSMHLIXSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000503520686 515065506 /nfs/dbraw/zinc/06/55/06/515065506.db2.gz IGLPMKZHMKXTHA-UWJYYQICSA-N 1 3 370.541 2.823 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467753152 515102880 /nfs/dbraw/zinc/10/28/80/515102880.db2.gz JDOGCLXUSADAJQ-HKUYNNGSSA-N 1 3 363.571 2.841 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000499113313 515205030 /nfs/dbraw/zinc/20/50/30/515205030.db2.gz PCBGZALJAPFELK-MWDXBVQZSA-N 1 3 350.507 2.881 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCCC1(F)F ZINC000458936619 515212891 /nfs/dbraw/zinc/21/28/91/515212891.db2.gz IPBZOXLTKPUXGK-IAGOWNOFSA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCCC1(F)F ZINC000458936619 515212900 /nfs/dbraw/zinc/21/29/00/515212900.db2.gz IPBZOXLTKPUXGK-IAGOWNOFSA-N 1 3 374.520 2.869 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccco1 ZINC000509568034 515236074 /nfs/dbraw/zinc/23/60/74/515236074.db2.gz KJABSXVWTAPNBB-IAGOWNOFSA-N 1 3 362.518 2.979 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000499212657 515240788 /nfs/dbraw/zinc/24/07/88/515240788.db2.gz LIPXRLACCWYMMH-QWFCFKBJSA-N 1 3 360.546 2.955 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000499212657 515240797 /nfs/dbraw/zinc/24/07/97/515240797.db2.gz LIPXRLACCWYMMH-QWFCFKBJSA-N 1 3 360.546 2.955 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccco1 ZINC000509583355 515242860 /nfs/dbraw/zinc/24/28/60/515242860.db2.gz JUWHFMRDLVUUAH-WBVHZDCISA-N 1 3 350.507 2.692 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000504295206 515264880 /nfs/dbraw/zinc/26/48/80/515264880.db2.gz HYEJYFVUHQIAJY-HSALFYBXSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000504295206 515264888 /nfs/dbraw/zinc/26/48/88/515264888.db2.gz HYEJYFVUHQIAJY-HSALFYBXSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000476960213 515266406 /nfs/dbraw/zinc/26/64/06/515266406.db2.gz IYZFPROTVNRTFQ-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490650202 515272674 /nfs/dbraw/zinc/27/26/74/515272674.db2.gz PQUVKFSHSMAOFE-CRAIPNDOSA-N 1 3 353.457 2.746 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490650202 515272679 /nfs/dbraw/zinc/27/26/79/515272679.db2.gz PQUVKFSHSMAOFE-CRAIPNDOSA-N 1 3 353.457 2.746 20 0 FFADHO CN(C)CCOc1ccccc1N1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472578221 515319809 /nfs/dbraw/zinc/31/98/09/515319809.db2.gz DPQSCNJLIMZHGV-FQEVSTJZSA-N 1 3 374.573 2.623 20 0 FFADHO CN(C)CCOc1ccccc1N1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472578221 515319816 /nfs/dbraw/zinc/31/98/16/515319816.db2.gz DPQSCNJLIMZHGV-FQEVSTJZSA-N 1 3 374.573 2.623 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000454247050 515336587 /nfs/dbraw/zinc/33/65/87/515336587.db2.gz DBJHZERYEMAFFU-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000454247050 515336592 /nfs/dbraw/zinc/33/65/92/515336592.db2.gz DBJHZERYEMAFFU-JOCHJYFZSA-N 1 3 370.541 2.778 20 0 FFADHO CN(CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000490985562 515349691 /nfs/dbraw/zinc/34/96/91/515349691.db2.gz BUJANCRESXQQNG-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1Cl ZINC000499520025 515356190 /nfs/dbraw/zinc/35/61/90/515356190.db2.gz NIBQTSYLOQPFAO-KRWDZBQOSA-N 1 3 351.922 2.757 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1Cl ZINC000499520025 515356198 /nfs/dbraw/zinc/35/61/98/515356198.db2.gz NIBQTSYLOQPFAO-KRWDZBQOSA-N 1 3 351.922 2.757 20 0 FFADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000509906613 515362212 /nfs/dbraw/zinc/36/22/12/515362212.db2.gz AWHLTOBPVBTAQV-SFHVURJKSA-N 1 3 353.510 2.860 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCN2CCC1CC2 ZINC000499723514 515426947 /nfs/dbraw/zinc/42/69/47/515426947.db2.gz FVGBPJHNBPIAQB-ROUUACIJSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000454361112 515430985 /nfs/dbraw/zinc/43/09/85/515430985.db2.gz UWVYYHPHYRUHFW-FQEVSTJZSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000454361112 515430991 /nfs/dbraw/zinc/43/09/91/515430991.db2.gz UWVYYHPHYRUHFW-FQEVSTJZSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454373532 515440647 /nfs/dbraw/zinc/44/06/47/515440647.db2.gz RDFGJUHPRZYCIS-PKOBYXMFSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454373532 515440657 /nfs/dbraw/zinc/44/06/57/515440657.db2.gz RDFGJUHPRZYCIS-PKOBYXMFSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC3(C)C)CC2)CC1 ZINC000454447335 515498356 /nfs/dbraw/zinc/49/83/56/515498356.db2.gz FQSMOBQEQLMAAQ-INIZCTEOSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CCN(C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326105 515504790 /nfs/dbraw/zinc/50/47/90/515504790.db2.gz VFWBIVLXCKXNDH-RLLQIKCJSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CCN(C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000510326105 515504797 /nfs/dbraw/zinc/50/47/97/515504797.db2.gz VFWBIVLXCKXNDH-RLLQIKCJSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)N1CCc2ccccc2C1 ZINC000510497863 515557723 /nfs/dbraw/zinc/55/77/23/515557723.db2.gz AJEPRTSTPKLAHG-DYESRHJHSA-N 1 3 370.541 2.773 20 0 FFADHO CC[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)N1CCc2ccccc2C1 ZINC000510497863 515557730 /nfs/dbraw/zinc/55/77/30/515557730.db2.gz AJEPRTSTPKLAHG-DYESRHJHSA-N 1 3 370.541 2.773 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000473302526 515571049 /nfs/dbraw/zinc/57/10/49/515571049.db2.gz NIQOTBFIFDVJHK-OAQYLSRUSA-N 1 3 374.573 2.607 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000473333289 515581464 /nfs/dbraw/zinc/58/14/64/515581464.db2.gz YUUOOSJYGRDEDC-ZIFCJYIRSA-N 1 3 353.551 2.501 20 0 FFADHO CCCOc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000505817657 515683915 /nfs/dbraw/zinc/68/39/15/515683915.db2.gz JUEYXQZIWRWSMQ-IBGZPJMESA-N 1 3 361.530 2.964 20 0 FFADHO CCCOc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000505817657 515683927 /nfs/dbraw/zinc/68/39/27/515683927.db2.gz JUEYXQZIWRWSMQ-IBGZPJMESA-N 1 3 361.530 2.964 20 0 FFADHO CCCOc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000505817658 515684852 /nfs/dbraw/zinc/68/48/52/515684852.db2.gz JUEYXQZIWRWSMQ-LJQANCHMSA-N 1 3 361.530 2.964 20 0 FFADHO CCCOc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000505817658 515684858 /nfs/dbraw/zinc/68/48/58/515684858.db2.gz JUEYXQZIWRWSMQ-LJQANCHMSA-N 1 3 361.530 2.964 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000464079107 515704256 /nfs/dbraw/zinc/70/42/56/515704256.db2.gz XGGJQILZSXOWSP-HLAWJBBLSA-N 1 3 373.541 2.663 20 0 FFADHO CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1OC(F)F ZINC000482551154 515716275 /nfs/dbraw/zinc/71/62/75/515716275.db2.gz AXBLPZRTTICHDR-ZBFHGGJFSA-N 1 3 369.456 2.916 20 0 FFADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494038145 515716652 /nfs/dbraw/zinc/71/66/52/515716652.db2.gz NJYXCZPVVMIDHI-PKOBYXMFSA-N 1 3 363.571 2.841 20 0 FFADHO Cc1nc2ccc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc2s1 ZINC000494179106 515756253 /nfs/dbraw/zinc/75/62/53/515756253.db2.gz KDPGGOJWPXNREE-KRWDZBQOSA-N 1 3 362.543 2.787 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[NH+]3CCCCCC3)c2)CC1 ZINC000473822984 515762713 /nfs/dbraw/zinc/76/27/13/515762713.db2.gz KOLRSQMJJIHIHS-UHFFFAOYSA-N 1 3 373.545 2.826 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000454816298 515762764 /nfs/dbraw/zinc/76/27/64/515762764.db2.gz ATJKJIAOIUOEKW-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC[C@@H]1CC[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482862450 515827597 /nfs/dbraw/zinc/82/75/97/515827597.db2.gz DRLQKFWKNDFWMH-GOSISDBHSA-N 1 3 367.493 2.789 20 0 FFADHO CN1CCC[C@@H]1CC[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482862450 515827606 /nfs/dbraw/zinc/82/76/06/515827606.db2.gz DRLQKFWKNDFWMH-GOSISDBHSA-N 1 3 367.493 2.789 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000511228399 515834958 /nfs/dbraw/zinc/83/49/58/515834958.db2.gz NCJPZJDIAXGOEC-ZWKOTPCHSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000511228399 515834964 /nfs/dbraw/zinc/83/49/64/515834964.db2.gz NCJPZJDIAXGOEC-ZWKOTPCHSA-N 1 3 350.551 2.765 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1Cl ZINC000487357167 515835741 /nfs/dbraw/zinc/83/57/41/515835741.db2.gz SWQIINIRCQQNHJ-KRWDZBQOSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1Cl ZINC000487357167 515835746 /nfs/dbraw/zinc/83/57/46/515835746.db2.gz SWQIINIRCQQNHJ-KRWDZBQOSA-N 1 3 369.912 2.896 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454973375 515868046 /nfs/dbraw/zinc/86/80/46/515868046.db2.gz MCXOSJRUJISMNO-OALUTQOASA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454973375 515868055 /nfs/dbraw/zinc/86/80/55/515868055.db2.gz MCXOSJRUJISMNO-OALUTQOASA-N 1 3 360.546 2.879 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccco1 ZINC000494589089 515892248 /nfs/dbraw/zinc/89/22/48/515892248.db2.gz ZTKFZVZJNKLZIW-NVXWUHKLSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000487534754 515894880 /nfs/dbraw/zinc/89/48/80/515894880.db2.gz HJDXYRUOXKZJJW-BZSNNMDCSA-N 1 3 350.551 2.623 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483086151 515917007 /nfs/dbraw/zinc/91/70/07/515917007.db2.gz HNGXVAASBZSCAZ-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483086151 515917014 /nfs/dbraw/zinc/91/70/14/515917014.db2.gz HNGXVAASBZSCAZ-PMACEKPBSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)[C@@]1(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCSC1 ZINC000483149349 515952769 /nfs/dbraw/zinc/95/27/69/515952769.db2.gz DEQCFGQMCBWHKW-LJQANCHMSA-N 1 3 370.607 2.768 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000469762495 515955267 /nfs/dbraw/zinc/95/52/67/515955267.db2.gz CVHBJBTUUMPKST-JYAXBFRTSA-N 1 3 357.542 2.596 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474313461 515987436 /nfs/dbraw/zinc/98/74/36/515987436.db2.gz QNHVQPLCFVSHFZ-QFIPXVFZSA-N 1 3 363.505 2.942 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](C)C1 ZINC000487815217 515989290 /nfs/dbraw/zinc/98/92/90/515989290.db2.gz BUROFZLHDZRYHA-UJMXGEILSA-N 1 3 364.578 2.726 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](C)C1 ZINC000487815217 515989298 /nfs/dbraw/zinc/98/92/98/515989298.db2.gz BUROFZLHDZRYHA-UJMXGEILSA-N 1 3 364.578 2.726 20 0 FFADHO C[C@@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000487844124 516005051 /nfs/dbraw/zinc/00/50/51/516005051.db2.gz VQQQKPIUYHDWDH-VPAKFMSCSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000487844124 516005059 /nfs/dbraw/zinc/00/50/59/516005059.db2.gz VQQQKPIUYHDWDH-VPAKFMSCSA-N 1 3 350.551 2.621 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000457643870 516034772 /nfs/dbraw/zinc/03/47/72/516034772.db2.gz WQUBWCBJTHQMTH-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000479043722 516036373 /nfs/dbraw/zinc/03/63/73/516036373.db2.gz RINGQRPVJYSOGI-RTBURBONSA-N 1 3 358.530 2.853 20 0 FFADHO CCC[NH+]1CCC(CN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479063769 516043922 /nfs/dbraw/zinc/04/39/22/516043922.db2.gz PIFBOJFNGMSBLU-MRXNPFEDSA-N 1 3 367.559 2.723 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000483393954 516064484 /nfs/dbraw/zinc/06/44/84/516064484.db2.gz IOEFCIZFUZIPOK-ZWKOTPCHSA-N 1 3 355.592 2.927 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1csc(C)n1 ZINC000495120547 516072559 /nfs/dbraw/zinc/07/25/59/516072559.db2.gz NNRPDJIMXHZKLW-GOSISDBHSA-N 1 3 366.575 2.649 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1csc(C)n1 ZINC000495120547 516072566 /nfs/dbraw/zinc/07/25/66/516072566.db2.gz NNRPDJIMXHZKLW-GOSISDBHSA-N 1 3 366.575 2.649 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000511903103 516073595 /nfs/dbraw/zinc/07/35/95/516073595.db2.gz YWGZMZWHOPTZAB-ROUUACIJSA-N 1 3 350.482 2.602 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000511903103 516073600 /nfs/dbraw/zinc/07/36/00/516073600.db2.gz YWGZMZWHOPTZAB-ROUUACIJSA-N 1 3 350.482 2.602 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488007378 516076879 /nfs/dbraw/zinc/07/68/79/516076879.db2.gz HCNGACQVSKEZFT-FCGDIQPGSA-N 1 3 364.578 2.869 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000488007378 516076886 /nfs/dbraw/zinc/07/68/86/516076886.db2.gz HCNGACQVSKEZFT-FCGDIQPGSA-N 1 3 364.578 2.869 20 0 FFADHO CCO[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1=CCCC1 ZINC000465179575 516086798 /nfs/dbraw/zinc/08/67/98/516086798.db2.gz YYCBIFWREGIWCI-HXUWFJFHSA-N 1 3 363.546 2.567 20 0 FFADHO CN1CCC[C@H](CNC(=O)c2csc(CC[NH3+])n2)[C@H]1c1cccs1 ZINC000479197328 516103064 /nfs/dbraw/zinc/10/30/64/516103064.db2.gz UIEAKFISYJCVGB-WBMJQRKESA-N 1 3 364.540 2.519 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000479222271 516114536 /nfs/dbraw/zinc/11/45/36/516114536.db2.gz KAVLGCOIMZSINH-JXFKEZNVSA-N 1 3 357.473 2.895 20 0 FFADHO C[C@@H](CCNC(=O)[C@@H](CN)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000479222271 516114545 /nfs/dbraw/zinc/11/45/45/516114545.db2.gz KAVLGCOIMZSINH-JXFKEZNVSA-N 1 3 357.473 2.895 20 0 FFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](C)C1 ZINC000488100726 516116269 /nfs/dbraw/zinc/11/62/69/516116269.db2.gz ZCOKKKFXPCENLI-UYWIDEMCSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H](C)C1 ZINC000488100726 516116277 /nfs/dbraw/zinc/11/62/77/516116277.db2.gz ZCOKKKFXPCENLI-UYWIDEMCSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCC[C@H]1C ZINC000501492406 516121788 /nfs/dbraw/zinc/12/17/88/516121788.db2.gz UQXOWVYHOGFSSD-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@]2(CCN(C)C2)C1)[NH+]1CCCC1 ZINC000488156723 516137032 /nfs/dbraw/zinc/13/70/32/516137032.db2.gz BTXPMHOEKGCKGR-QUCCMNQESA-N 1 3 350.551 2.624 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)CC1 ZINC000470150129 516147752 /nfs/dbraw/zinc/14/77/52/516147752.db2.gz VMZHTRYPYYLZBG-MJGOQNOKSA-N 1 3 359.514 2.602 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)CC1 ZINC000470150129 516147759 /nfs/dbraw/zinc/14/77/59/516147759.db2.gz VMZHTRYPYYLZBG-MJGOQNOKSA-N 1 3 359.514 2.602 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501548604 516147786 /nfs/dbraw/zinc/14/77/86/516147786.db2.gz ZOEAKSNRNABPGW-GOSISDBHSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCN1C ZINC000465438771 516153103 /nfs/dbraw/zinc/15/31/03/516153103.db2.gz KPFDWVJYXSPFHW-ROUUACIJSA-N 1 3 350.551 2.957 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479352708 516160777 /nfs/dbraw/zinc/16/07/77/516160777.db2.gz XZDHEJUYBLSGDX-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479352708 516160783 /nfs/dbraw/zinc/16/07/83/516160783.db2.gz XZDHEJUYBLSGDX-YESZJQIVSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCN1C ZINC000460527939 516180330 /nfs/dbraw/zinc/18/03/30/516180330.db2.gz OYAQSZJMEJYJPK-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCN1C ZINC000460527939 516180338 /nfs/dbraw/zinc/18/03/38/516180338.db2.gz OYAQSZJMEJYJPK-AYWYSENESA-N 1 3 370.541 2.633 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000465652599 516220256 /nfs/dbraw/zinc/22/02/56/516220256.db2.gz NKFDKDYSLZECET-FPOVZHCZSA-N 1 3 374.573 2.984 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000465652599 516220263 /nfs/dbraw/zinc/22/02/63/516220263.db2.gz NKFDKDYSLZECET-FPOVZHCZSA-N 1 3 374.573 2.984 20 0 FFADHO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc2c(c1)CNC2 ZINC000470369075 516224273 /nfs/dbraw/zinc/22/42/73/516224273.db2.gz ISGZLNVOXQKPIQ-UHFFFAOYSA-N 1 3 359.420 2.772 20 0 FFADHO C[C@@H](NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1=CCN(C)CC1 ZINC000488472012 516232988 /nfs/dbraw/zinc/23/29/88/516232988.db2.gz UNKMJBJXEPCLGK-GCJKJVERSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@@H](NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1=CCN(C)CC1 ZINC000488472012 516232995 /nfs/dbraw/zinc/23/29/95/516232995.db2.gz UNKMJBJXEPCLGK-GCJKJVERSA-N 1 3 370.541 2.991 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000465736044 516242654 /nfs/dbraw/zinc/24/26/54/516242654.db2.gz IUPHZPJXRCGPIA-AABGKKOBSA-N 1 3 358.530 2.600 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000465736044 516242660 /nfs/dbraw/zinc/24/26/60/516242660.db2.gz IUPHZPJXRCGPIA-AABGKKOBSA-N 1 3 358.530 2.600 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)cc1 ZINC000488514340 516248637 /nfs/dbraw/zinc/24/86/37/516248637.db2.gz IVQDAWXOJDKAIG-MSOLQXFVSA-N 1 3 363.571 2.988 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3ncc[nH]3)CC2)CC1 ZINC000512365473 516253545 /nfs/dbraw/zinc/25/35/45/516253545.db2.gz ZBSUMCUWMLDTAX-UHFFFAOYSA-N 1 3 353.514 2.931 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000501937235 516269528 /nfs/dbraw/zinc/26/95/28/516269528.db2.gz HOWFATIMGCEMHN-AZUAARDMSA-N 1 3 356.514 2.601 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000501937235 516269533 /nfs/dbraw/zinc/26/95/33/516269533.db2.gz HOWFATIMGCEMHN-AZUAARDMSA-N 1 3 356.514 2.601 20 0 FFADHO CCC[NH+](CCC)CCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488597427 516270397 /nfs/dbraw/zinc/27/03/97/516270397.db2.gz OWDHZFKOJAJZFN-GBESFXJTSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)N(C)Cc1ccccc1 ZINC000496631726 516272076 /nfs/dbraw/zinc/27/20/76/516272076.db2.gz MAIHOBIQLIZASU-HBFSDRIKSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000465881498 516279468 /nfs/dbraw/zinc/27/94/68/516279468.db2.gz UEZCTFWRBABRFN-QFUCXCTJSA-N 1 3 372.557 2.977 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000465881498 516279472 /nfs/dbraw/zinc/27/94/72/516279472.db2.gz UEZCTFWRBABRFN-QFUCXCTJSA-N 1 3 372.557 2.977 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000465881499 516279860 /nfs/dbraw/zinc/27/98/60/516279860.db2.gz UEZCTFWRBABRFN-YFVAEKQCSA-N 1 3 372.557 2.977 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000465881499 516279866 /nfs/dbraw/zinc/27/98/66/516279866.db2.gz UEZCTFWRBABRFN-YFVAEKQCSA-N 1 3 372.557 2.977 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000502020843 516286192 /nfs/dbraw/zinc/28/61/92/516286192.db2.gz VXSIFJDVZYQOKA-PXNSSMCTSA-N 1 3 358.530 2.988 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000502020843 516286194 /nfs/dbraw/zinc/28/61/94/516286194.db2.gz VXSIFJDVZYQOKA-PXNSSMCTSA-N 1 3 358.530 2.988 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000488689703 516287789 /nfs/dbraw/zinc/28/77/89/516287789.db2.gz VWJOVOSTWVMIAC-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2(O)CCN(C)CC2)cc1F ZINC000484165070 516308113 /nfs/dbraw/zinc/30/81/13/516308113.db2.gz DPCGZPSCNBPECM-AEFFLSMTSA-N 1 3 350.478 2.907 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000522878260 516338356 /nfs/dbraw/zinc/33/83/56/516338356.db2.gz DTFVMDFOBSUJFK-OALUTQOASA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000522878260 516338364 /nfs/dbraw/zinc/33/83/64/516338364.db2.gz DTFVMDFOBSUJFK-OALUTQOASA-N 1 3 361.505 2.884 20 0 FFADHO CN(C)C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000554255549 516347482 /nfs/dbraw/zinc/34/74/82/516347482.db2.gz BXFUMCIXLKYDFF-HXUWFJFHSA-N 1 3 372.488 2.989 20 0 FFADHO CN(CCC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cc[nH+]cc1 ZINC000543716165 516387579 /nfs/dbraw/zinc/38/75/79/516387579.db2.gz FXGUNRCEZJXWOZ-HXUWFJFHSA-N 1 3 352.482 2.861 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)N2CCCC2)cc1 ZINC000561151661 516410374 /nfs/dbraw/zinc/41/03/74/516410374.db2.gz OIQBNVYASKEDTJ-UNMCSNQZSA-N 1 3 370.541 2.917 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000554474732 516453484 /nfs/dbraw/zinc/45/34/84/516453484.db2.gz ANZJOLRVPWYLAK-HOTGVXAUSA-N 1 3 352.548 2.770 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(Cl)ccn3)CC2)CC1 ZINC000561226163 516466305 /nfs/dbraw/zinc/46/63/05/516466305.db2.gz ZFXRXISIRADTNB-UHFFFAOYSA-N 1 3 350.894 2.870 20 0 FFADHO Cc1ccc(NC(=O)NCC[NH+]2CCCCCC2)c(OCCN(C)C)c1 ZINC000523448391 516475158 /nfs/dbraw/zinc/47/51/58/516475158.db2.gz VYHNESPPKSFGIY-UHFFFAOYSA-N 1 3 362.518 2.933 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CCc3cccn3C)CC2)CC1 ZINC000561266686 516488460 /nfs/dbraw/zinc/48/84/60/516488460.db2.gz UOONFKQOOSGJGR-SFHVURJKSA-N 1 3 374.573 2.659 20 0 FFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3cncnc3)cc2)C[C@H]1C ZINC000540323058 516512110 /nfs/dbraw/zinc/51/21/10/516512110.db2.gz ABQWZMALMWXQRF-QZTJIDSGSA-N 1 3 354.498 2.776 20 0 FFADHO C[C@@H]1CC[C@H](NCc2ccccc2OCC[NH+](C)C)[C@H](n2cncn2)C1 ZINC000551030403 516531038 /nfs/dbraw/zinc/53/10/38/516531038.db2.gz NXPYRIJASKYOEQ-NZSAHSFTSA-N 1 3 357.502 2.738 20 0 FFADHO C[N@H+](CCc1cccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1)C1CC1 ZINC000540431476 516552186 /nfs/dbraw/zinc/55/21/86/516552186.db2.gz DFRWFOCPBJPMIW-NRFANRHFSA-N 1 3 371.525 2.905 20 0 FFADHO C[N@@H+](CCc1cccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1)C1CC1 ZINC000540431476 516552197 /nfs/dbraw/zinc/55/21/97/516552197.db2.gz DFRWFOCPBJPMIW-NRFANRHFSA-N 1 3 371.525 2.905 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N(C)Cc1ccccc1 ZINC000535937016 516563976 /nfs/dbraw/zinc/56/39/76/516563976.db2.gz NTJAKRPGPILGCV-RXVVDRJESA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC[N@@H+]1C ZINC000513443724 516624646 /nfs/dbraw/zinc/62/46/46/516624646.db2.gz OQXAEUSFSAPULK-BPQIPLTHSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC[N@H+]1C ZINC000513443724 516624656 /nfs/dbraw/zinc/62/46/56/516624656.db2.gz OQXAEUSFSAPULK-BPQIPLTHSA-N 1 3 365.468 2.743 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)N(C)C)cc1 ZINC000561539636 516640955 /nfs/dbraw/zinc/64/09/55/516640955.db2.gz JAHQGEBFFFQEDM-SXLOBPIMSA-N 1 3 358.530 2.866 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719557 516642782 /nfs/dbraw/zinc/64/27/82/516642782.db2.gz JKTYORBWZPXBOR-SFHVURJKSA-N 1 3 360.502 2.945 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719557 516642788 /nfs/dbraw/zinc/64/27/88/516642788.db2.gz JKTYORBWZPXBOR-SFHVURJKSA-N 1 3 360.502 2.945 20 0 FFADHO CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CN2CCC1CC2 ZINC000518434875 516658295 /nfs/dbraw/zinc/65/82/95/516658295.db2.gz TXROAMWMWLKHQT-ICSRJNTNSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)[C@H]1CN2CCC1CC2 ZINC000518434875 516658307 /nfs/dbraw/zinc/65/83/07/516658307.db2.gz TXROAMWMWLKHQT-ICSRJNTNSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CN2CCC1CC2 ZINC000518434875 516658317 /nfs/dbraw/zinc/65/83/17/516658317.db2.gz TXROAMWMWLKHQT-ICSRJNTNSA-N 1 3 359.489 2.590 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccc(F)cc3)C2(C)C)CC1 ZINC000528740640 516662653 /nfs/dbraw/zinc/66/26/53/516662653.db2.gz CGMCTPDNZGLTQJ-IBGZPJMESA-N 1 3 361.505 2.994 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C1CC1 ZINC000561635499 516692952 /nfs/dbraw/zinc/69/29/52/516692952.db2.gz OTQCAJZXUYTNPT-XMSQKQJNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C1CC1 ZINC000561635499 516692958 /nfs/dbraw/zinc/69/29/58/516692958.db2.gz OTQCAJZXUYTNPT-XMSQKQJNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](NC(=O)N(C)CCCN(C)Cc1ccco1)C(C)(C)C[NH+](C)C ZINC000561641808 516695409 /nfs/dbraw/zinc/69/54/09/516695409.db2.gz XUPSLCKFRSDEOB-MRXNPFEDSA-N 1 3 352.523 2.719 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548061293 516734247 /nfs/dbraw/zinc/73/42/47/516734247.db2.gz AHTKQUANDMCPIG-UHFFFAOYSA-N 1 3 361.530 2.898 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061293 516734256 /nfs/dbraw/zinc/73/42/56/516734256.db2.gz AHTKQUANDMCPIG-UHFFFAOYSA-N 1 3 361.530 2.898 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCN(C)c1ccncc1 ZINC000540927048 516775812 /nfs/dbraw/zinc/77/58/12/516775812.db2.gz ZHSBKYUCWGVKCW-GHTZIAJQSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCN(C)c1ccncc1 ZINC000540927048 516775816 /nfs/dbraw/zinc/77/58/16/516775816.db2.gz ZHSBKYUCWGVKCW-GHTZIAJQSA-N 1 3 366.509 2.935 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCN2C)cc1 ZINC000518879524 516803986 /nfs/dbraw/zinc/80/39/86/516803986.db2.gz VWVSVJHECGBLFG-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCN2C)cc1 ZINC000518879524 516803996 /nfs/dbraw/zinc/80/39/96/516803996.db2.gz VWVSVJHECGBLFG-YLJYHZDGSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000518921334 516820179 /nfs/dbraw/zinc/82/01/79/516820179.db2.gz SLSKGKSHXGJGDS-ZWKOTPCHSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000518921334 516820186 /nfs/dbraw/zinc/82/01/86/516820186.db2.gz SLSKGKSHXGJGDS-ZWKOTPCHSA-N 1 3 357.542 2.929 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000524782945 516829418 /nfs/dbraw/zinc/82/94/18/516829418.db2.gz CIZAPOBOCLPANA-FUHWJXTLSA-N 1 3 366.575 2.737 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000524782945 516829423 /nfs/dbraw/zinc/82/94/23/516829423.db2.gz CIZAPOBOCLPANA-FUHWJXTLSA-N 1 3 366.575 2.737 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CCC[N@@H+](C(C)C)C3)c2cc1C ZINC000518964001 516833757 /nfs/dbraw/zinc/83/37/57/516833757.db2.gz WGOTZCCYPYQLIM-OALUTQOASA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CCC[N@H+](C(C)C)C3)c2cc1C ZINC000518964001 516833763 /nfs/dbraw/zinc/83/37/63/516833763.db2.gz WGOTZCCYPYQLIM-OALUTQOASA-N 1 3 358.530 2.724 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@@H]3CCCN(C(C)C)C3)c2cc1C ZINC000518964001 516833772 /nfs/dbraw/zinc/83/37/72/516833772.db2.gz WGOTZCCYPYQLIM-OALUTQOASA-N 1 3 358.530 2.724 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000518973382 516836933 /nfs/dbraw/zinc/83/69/33/516836933.db2.gz RPEVVRDIYAQWET-UHFFFAOYSA-N 1 3 356.470 2.544 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000514058834 516845393 /nfs/dbraw/zinc/84/53/93/516845393.db2.gz DHJOCKAYPHUVNQ-GTAWCEEGSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000514058834 516845406 /nfs/dbraw/zinc/84/54/06/516845406.db2.gz DHJOCKAYPHUVNQ-GTAWCEEGSA-N 1 3 356.514 2.748 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000524935256 516872379 /nfs/dbraw/zinc/87/23/79/516872379.db2.gz YZDJBDSOVIBUNI-WOJBJXKFSA-N 1 3 360.546 2.848 20 0 FFADHO C[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000514150222 516884060 /nfs/dbraw/zinc/88/40/60/516884060.db2.gz YYMLGRQMMDAGJJ-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000514150222 516884063 /nfs/dbraw/zinc/88/40/63/516884063.db2.gz YYMLGRQMMDAGJJ-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCCN1CCCC1 ZINC000541206349 516927925 /nfs/dbraw/zinc/92/79/25/516927925.db2.gz SAAGSSJPWZGREL-MRXNPFEDSA-N 1 3 372.513 2.828 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[NH+]1CCCC1 ZINC000541206349 516927931 /nfs/dbraw/zinc/92/79/31/516927931.db2.gz SAAGSSJPWZGREL-MRXNPFEDSA-N 1 3 372.513 2.828 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)no1 ZINC000558750731 516928193 /nfs/dbraw/zinc/92/81/93/516928193.db2.gz OZAFQRKFNWMLPM-MRXNPFEDSA-N 1 3 370.497 3.476 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)no1 ZINC000558750731 516928204 /nfs/dbraw/zinc/92/82/04/516928204.db2.gz OZAFQRKFNWMLPM-MRXNPFEDSA-N 1 3 370.497 3.476 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000525165077 516939442 /nfs/dbraw/zinc/93/94/42/516939442.db2.gz OZECKJDQXPRASC-WOJBJXKFSA-N 1 3 358.530 2.626 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000525165077 516939451 /nfs/dbraw/zinc/93/94/51/516939451.db2.gz OZECKJDQXPRASC-WOJBJXKFSA-N 1 3 358.530 2.626 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000514640685 516976554 /nfs/dbraw/zinc/97/65/54/516976554.db2.gz ZRWDQEXJRSXVDX-SFHVURJKSA-N 1 3 360.546 2.987 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000514640685 516976560 /nfs/dbraw/zinc/97/65/60/516976560.db2.gz ZRWDQEXJRSXVDX-SFHVURJKSA-N 1 3 360.546 2.987 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000555558356 516977129 /nfs/dbraw/zinc/97/71/29/516977129.db2.gz OYWURCOKEZONKF-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1nccc2ccccc21 ZINC000514667429 516993756 /nfs/dbraw/zinc/99/37/56/516993756.db2.gz KPVJHDKGGITULG-HLLQZAQXSA-N 1 3 352.482 2.532 20 0 FFADHO O=C1CCCN1CCC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000532528834 517020771 /nfs/dbraw/zinc/02/07/71/517020771.db2.gz XOHOAVAIWGWRKB-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO O=C1CCCN1CCC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000532528834 517020778 /nfs/dbraw/zinc/02/07/78/517020778.db2.gz XOHOAVAIWGWRKB-RTWAWAEBSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CCCN3C3CC3)C2)s1 ZINC000552004048 517021062 /nfs/dbraw/zinc/02/10/62/517021062.db2.gz OAAWHXYBGOBUDW-QFBILLFUSA-N 1 3 361.555 2.964 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CCCN3C3CC3)C2)s1 ZINC000552004048 517021074 /nfs/dbraw/zinc/02/10/74/517021074.db2.gz OAAWHXYBGOBUDW-QFBILLFUSA-N 1 3 361.555 2.964 20 0 FFADHO CC(C)[C@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)N1CCCCC1 ZINC000532595091 517053184 /nfs/dbraw/zinc/05/31/84/517053184.db2.gz LPFGRHJMGDPCML-AZUAARDMSA-N 1 3 373.545 2.671 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529363284 517102791 /nfs/dbraw/zinc/10/27/91/517102791.db2.gz URYJBSBMHMSRJV-MISYRCLQSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000545247177 517128287 /nfs/dbraw/zinc/12/82/87/517128287.db2.gz QOUJDQXCEMPERK-INIZCTEOSA-N 1 3 365.477 2.913 20 0 FFADHO CCCCN1CCC([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000556063732 517252033 /nfs/dbraw/zinc/25/20/33/517252033.db2.gz QCFXAHQYOIIUNB-LJQANCHMSA-N 1 3 365.543 2.566 20 0 FFADHO C[C@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CN1Cc1ccccc1 ZINC000541854646 517253786 /nfs/dbraw/zinc/25/37/86/517253786.db2.gz OSHVRBLSDIYZFD-HKUYNNGSSA-N 1 3 352.482 2.687 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000515221358 517260816 /nfs/dbraw/zinc/26/08/16/517260816.db2.gz YFOVWWLFLDCBNT-SESVDKBCSA-N 1 3 370.541 2.728 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCN1Cc1ccccc1 ZINC000515244567 517269465 /nfs/dbraw/zinc/26/94/65/517269465.db2.gz ACMIROYPZVUYAB-GFOJFJKKSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCN1Cc1ccccc1 ZINC000515244567 517269472 /nfs/dbraw/zinc/26/94/72/517269472.db2.gz ACMIROYPZVUYAB-GFOJFJKKSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC2CCS(=O)(=O)CC2)CC1 ZINC000541909500 517289850 /nfs/dbraw/zinc/28/98/50/517289850.db2.gz UFOAPUAMSUMCFU-VQIMIIECSA-N 1 3 356.576 2.834 20 0 FFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCC2CCS(=O)(=O)CC2)CC1 ZINC000541909500 517289859 /nfs/dbraw/zinc/28/98/59/517289859.db2.gz UFOAPUAMSUMCFU-VQIMIIECSA-N 1 3 356.576 2.834 20 0 FFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000541924020 517292808 /nfs/dbraw/zinc/29/28/08/517292808.db2.gz SZXRHDSRGUQFMT-LJQANCHMSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000541924020 517292814 /nfs/dbraw/zinc/29/28/14/517292814.db2.gz SZXRHDSRGUQFMT-LJQANCHMSA-N 1 3 350.466 2.809 20 0 FFADHO C[C@@H](CC[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)N1CCCCC1 ZINC000556173738 517297520 /nfs/dbraw/zinc/29/75/20/517297520.db2.gz YSQALMIBYPDERS-KXBFYZLASA-N 1 3 365.543 2.566 20 0 FFADHO OC1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000556234094 517330130 /nfs/dbraw/zinc/33/01/30/517330130.db2.gz USLCSVUKEYXFME-MWXLCCTBSA-N 1 3 358.526 2.808 20 0 FFADHO CCN(CC)c1ncc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000562751821 517368151 /nfs/dbraw/zinc/36/81/51/517368151.db2.gz FTXCTFTVDRVCGL-DOTOQJQBSA-N 1 3 352.548 2.708 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000562806276 517419946 /nfs/dbraw/zinc/41/99/46/517419946.db2.gz ZDHWSQLTXBQJRF-IFMALSPDSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000515621053 517426635 /nfs/dbraw/zinc/42/66/35/517426635.db2.gz VYRZJOYBARPGNL-ZCNNSNEGSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000515621053 517426638 /nfs/dbraw/zinc/42/66/38/517426638.db2.gz VYRZJOYBARPGNL-ZCNNSNEGSA-N 1 3 358.530 2.936 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000562815162 517427220 /nfs/dbraw/zinc/42/72/20/517427220.db2.gz JVSBAEJDFGFBOX-PCCBWWKXSA-N 1 3 366.509 2.965 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000562815162 517427227 /nfs/dbraw/zinc/42/72/27/517427227.db2.gz JVSBAEJDFGFBOX-PCCBWWKXSA-N 1 3 366.509 2.965 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCN1C ZINC000559891073 517474166 /nfs/dbraw/zinc/47/41/66/517474166.db2.gz MZAWUCSVKJGCGC-HJNYFJLDSA-N 1 3 371.569 2.988 20 0 FFADHO CN1CCO[C@H]([C@H](NC2CCC(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000562960657 517535501 /nfs/dbraw/zinc/53/55/01/517535501.db2.gz UKSWZRLHNUIEFB-SJROMKODSA-N 1 3 351.922 2.819 20 0 FFADHO COCCN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000560028092 517542429 /nfs/dbraw/zinc/54/24/29/517542429.db2.gz PSRHEIMDTMWGBI-HXUWFJFHSA-N 1 3 359.514 2.513 20 0 FFADHO C[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)N1CCC(Cc2ccccc2)CC1 ZINC000516062632 517553289 /nfs/dbraw/zinc/55/32/89/517553289.db2.gz FEOVMDFFCSCAOE-NQIIRXRSSA-N 1 3 357.542 2.978 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NCC2=CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000538386996 517597641 /nfs/dbraw/zinc/59/76/41/517597641.db2.gz JZJOYQLXALEPNT-GHTZIAJQSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)NCC2=CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000538386996 517597646 /nfs/dbraw/zinc/59/76/46/517597646.db2.gz JZJOYQLXALEPNT-GHTZIAJQSA-N 1 3 370.541 2.848 20 0 FFADHO Cc1ccc2c(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000530242416 517649912 /nfs/dbraw/zinc/64/99/12/517649912.db2.gz UQRKGQNNZCDFES-SFHVURJKSA-N 1 3 356.466 2.692 20 0 FFADHO c1nc(-c2ccncc2)sc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249001 517653385 /nfs/dbraw/zinc/65/33/85/517653385.db2.gz SHPSAIUOBYXACV-KRWDZBQOSA-N 1 3 358.511 2.796 20 0 FFADHO Cc1ncc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000530247903 517654611 /nfs/dbraw/zinc/65/46/11/517654611.db2.gz CQSIHCIRSQVELL-NRFANRHFSA-N 1 3 354.498 2.771 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248109 517654632 /nfs/dbraw/zinc/65/46/32/517654632.db2.gz GAUYQUCFCZCZAY-HXUWFJFHSA-N 1 3 354.498 2.976 20 0 FFADHO Cn1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000530249349 517656912 /nfs/dbraw/zinc/65/69/12/517656912.db2.gz WDFQHJPGHZWDEF-QGZVFWFLSA-N 1 3 360.527 2.739 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1CCN(C2CC2)CC1 ZINC000549717488 517671889 /nfs/dbraw/zinc/67/18/89/517671889.db2.gz NZALQGMKSVEBML-UHFFFAOYSA-N 1 3 363.468 2.984 20 0 FFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563153581 517697691 /nfs/dbraw/zinc/69/76/91/517697691.db2.gz BWHSJGKXQXYJDN-HYVNUMGLSA-N 1 3 365.468 2.806 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000549806718 517719381 /nfs/dbraw/zinc/71/93/81/517719381.db2.gz PIWKWOQDBNAIRA-LZJOCLMNSA-N 1 3 364.505 2.550 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553458758 517723242 /nfs/dbraw/zinc/72/32/42/517723242.db2.gz DPDCXWTWDIQOSW-WOIUINJBSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553458758 517723250 /nfs/dbraw/zinc/72/32/50/517723250.db2.gz DPDCXWTWDIQOSW-WOIUINJBSA-N 1 3 355.526 2.984 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000556887576 517728571 /nfs/dbraw/zinc/72/85/71/517728571.db2.gz YZLLJLIIVUROHI-CLAROIROSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556887576 517728575 /nfs/dbraw/zinc/72/85/75/517728575.db2.gz YZLLJLIIVUROHI-CLAROIROSA-N 1 3 355.526 2.888 20 0 FFADHO CC(=O)N1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556887576 517728584 /nfs/dbraw/zinc/72/85/84/517728584.db2.gz YZLLJLIIVUROHI-CLAROIROSA-N 1 3 355.526 2.888 20 0 FFADHO CN(CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccncc1 ZINC000542781855 517736275 /nfs/dbraw/zinc/73/62/75/517736275.db2.gz BGLISFBYWZEORN-UHFFFAOYSA-N 1 3 366.509 2.731 20 0 FFADHO Cn1cc(-c2ccc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)s2)cn1 ZINC000556958552 517775368 /nfs/dbraw/zinc/77/53/68/517775368.db2.gz UTEVWQJYDRQVKQ-HKUYNNGSSA-N 1 3 360.527 2.867 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccco1 ZINC000553584304 517796886 /nfs/dbraw/zinc/79/68/86/517796886.db2.gz AIBWAGPRJWVEBA-QGZVFWFLSA-N 1 3 362.518 2.760 20 0 FFADHO CN(CCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)Cc1ccco1 ZINC000553584304 517796892 /nfs/dbraw/zinc/79/68/92/517796892.db2.gz AIBWAGPRJWVEBA-QGZVFWFLSA-N 1 3 362.518 2.760 20 0 FFADHO CC(C)N1CC[C@@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000534232338 517799385 /nfs/dbraw/zinc/79/93/85/517799385.db2.gz GLBDKUPQORJWED-HXUWFJFHSA-N 1 3 355.526 2.984 20 0 FFADHO CC(C)N1CC[C@@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000534232338 517799391 /nfs/dbraw/zinc/79/93/91/517799391.db2.gz GLBDKUPQORJWED-HXUWFJFHSA-N 1 3 355.526 2.984 20 0 FFADHO Cn1nccc1-c1ccccc1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000560483278 517838565 /nfs/dbraw/zinc/83/85/65/517838565.db2.gz BDMHYDTUHNJWNZ-LEWJYISDSA-N 1 3 354.498 2.555 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000521842682 517868302 /nfs/dbraw/zinc/86/83/02/517868302.db2.gz IGHGIHOBMUZSKB-NZSAHSFTSA-N 1 3 358.530 2.584 20 0 FFADHO Cc1ncc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1-c1ccccc1 ZINC000563460804 517917855 /nfs/dbraw/zinc/91/78/55/517917855.db2.gz TXASPPVWDVIVLU-NHCUHLMSSA-N 1 3 354.498 2.899 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527815513 517932139 /nfs/dbraw/zinc/93/21/39/517932139.db2.gz JXYKMGPORXMRSD-MJGOQNOKSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527815513 517932148 /nfs/dbraw/zinc/93/21/48/517932148.db2.gz JXYKMGPORXMRSD-MJGOQNOKSA-N 1 3 350.551 2.671 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000527827008 517937991 /nfs/dbraw/zinc/93/79/91/517937991.db2.gz RGCDLMQHBHZKBX-TVPLGVNVSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563507177 517944542 /nfs/dbraw/zinc/94/45/42/517944542.db2.gz KPIYUSIWCHYWGI-XHSDSOJGSA-N 1 3 360.502 2.657 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563507177 517944552 /nfs/dbraw/zinc/94/45/52/517944552.db2.gz KPIYUSIWCHYWGI-XHSDSOJGSA-N 1 3 360.502 2.657 20 0 FFADHO CC1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]CC1 ZINC000563521107 517958133 /nfs/dbraw/zinc/95/81/33/517958133.db2.gz GGKTYPRPTZCYSR-HNNXBMFYSA-N 1 3 350.532 2.574 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@H]1c1cccs1 ZINC000563581605 517996889 /nfs/dbraw/zinc/99/68/89/517996889.db2.gz RNJRATPSBHFLEI-HWMZRRJGSA-N 1 3 350.532 2.558 20 0 FFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H]1CCCO1 ZINC000527957701 518012158 /nfs/dbraw/zinc/01/21/58/518012158.db2.gz SAYWAPDTVKOTGV-PVIWCNJMSA-N 1 3 358.526 2.807 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC(C[NH3+])CC2)c2cccs2)CC1 ZINC000563609750 518023342 /nfs/dbraw/zinc/02/33/42/518023342.db2.gz ZBEMFDRWWXSATP-KRWDZBQOSA-N 1 3 364.559 2.901 20 0 FFADHO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880311 518025850 /nfs/dbraw/zinc/02/58/50/518025850.db2.gz UJEPDVZSMSDRIN-OAHLLOKOSA-N 1 3 373.463 2.836 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522204973 518031429 /nfs/dbraw/zinc/03/14/29/518031429.db2.gz YOQRTEDKUZKQSN-PMACEKPBSA-N 1 3 358.530 2.674 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522204973 518031436 /nfs/dbraw/zinc/03/14/36/518031436.db2.gz YOQRTEDKUZKQSN-PMACEKPBSA-N 1 3 358.530 2.674 20 0 FFADHO N[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000517233988 518080997 /nfs/dbraw/zinc/08/09/97/518080997.db2.gz MWHPBQBSMKWCCE-FCHUYYIVSA-N 1 3 365.521 2.627 20 0 FFADHO N[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000517233988 518081004 /nfs/dbraw/zinc/08/10/04/518081004.db2.gz MWHPBQBSMKWCCE-FCHUYYIVSA-N 1 3 365.521 2.627 20 0 FFADHO CN(C(=O)[C@H](C[NH3+])c1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000517239647 518085247 /nfs/dbraw/zinc/08/52/47/518085247.db2.gz VKURDJNSEDLIDH-VQTJNVASSA-N 1 3 355.457 2.601 20 0 FFADHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)cc(OC)c1OCC(F)F ZINC000563747957 518103724 /nfs/dbraw/zinc/10/37/24/518103724.db2.gz RSSNGGUQGQWWDD-CYBMUJFWSA-N 1 3 358.429 2.779 20 0 FFADHO CN1CCC[C@@H](CNC(=O)C2(C)C[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000517367433 518130364 /nfs/dbraw/zinc/13/03/64/518130364.db2.gz YIEZNMYKUJWXIC-GOEBONIOSA-N 1 3 369.431 2.814 20 0 FFADHO c1ccc(C[N@H+]2CCC[C@@]3(CCN(CCCN4CCOCC4)C3)C2)cc1 ZINC000531103478 518138082 /nfs/dbraw/zinc/13/80/82/518138082.db2.gz BWQSXBBBUWPWSC-QFIPXVFZSA-N 1 3 357.542 2.697 20 0 FFADHO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCCN4CCOCC4)C3)C2)cc1 ZINC000531103478 518138087 /nfs/dbraw/zinc/13/80/87/518138087.db2.gz BWQSXBBBUWPWSC-QFIPXVFZSA-N 1 3 357.542 2.697 20 0 FFADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)Nc1ccccn1 ZINC000539715539 518147829 /nfs/dbraw/zinc/14/78/29/518147829.db2.gz HXVRPZWESRNOMG-UHFFFAOYSA-N 1 3 352.482 2.707 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000539832098 518169879 /nfs/dbraw/zinc/16/98/79/518169879.db2.gz KIIICZKWMLDPHE-UHFFFAOYSA-N 1 3 358.486 2.628 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000539848989 518172136 /nfs/dbraw/zinc/17/21/36/518172136.db2.gz GVYNBGWUSUFGJI-LJQANCHMSA-N 1 3 357.502 2.508 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ncc(C)cn2)CC1 ZINC000535369536 518177040 /nfs/dbraw/zinc/17/70/40/518177040.db2.gz FWAPORGGNAZKTK-UHFFFAOYSA-N 1 3 353.514 2.649 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000572586326 518262037 /nfs/dbraw/zinc/26/20/37/518262037.db2.gz KBKJUUYKMQXRFG-SXLOBPIMSA-N 1 3 372.557 2.974 20 0 FFADHO COC[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000578554508 518263973 /nfs/dbraw/zinc/26/39/73/518263973.db2.gz REUYSVIHAILYQS-FWCIAMDOSA-N 1 3 352.906 2.851 20 0 FFADHO COC[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000578554508 518263974 /nfs/dbraw/zinc/26/39/74/518263974.db2.gz REUYSVIHAILYQS-FWCIAMDOSA-N 1 3 352.906 2.851 20 0 FFADHO C[C@H](Cc1ccc(F)c(Br)c1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000584287012 518264823 /nfs/dbraw/zinc/26/48/23/518264823.db2.gz QYFLNGRBIFSFGN-RISCZKNCSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@H](Cc1ccc(F)c(Br)c1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000584287012 518264830 /nfs/dbraw/zinc/26/48/30/518264830.db2.gz QYFLNGRBIFSFGN-RISCZKNCSA-N 1 3 359.283 2.564 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)N2CCCC2)cc1 ZINC000578623551 518298101 /nfs/dbraw/zinc/29/81/01/518298101.db2.gz VGBZWQSRCMOAEX-QUCCMNQESA-N 1 3 358.530 2.902 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000578624201 518298545 /nfs/dbraw/zinc/29/85/45/518298545.db2.gz YNTDEEWBQWSHEG-HXUWFJFHSA-N 1 3 358.530 2.758 20 0 FFADHO CCC[NH2+][C@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000564081118 518299465 /nfs/dbraw/zinc/29/94/65/518299465.db2.gz KKWMEAUBHPILNF-OAHLLOKOSA-N 1 3 367.921 2.688 20 0 FFADHO CSc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000572714087 518326167 /nfs/dbraw/zinc/32/61/67/518326167.db2.gz YGJGZDILQQBWSG-DLBZAZTESA-N 1 3 352.544 2.860 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000575920630 518343910 /nfs/dbraw/zinc/34/39/10/518343910.db2.gz FQATVVMJXIFEGA-LAUBAEHRSA-N 1 3 366.509 2.855 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CC[N@@H+](CC(C)C)C3)c2cc1C ZINC000584585496 518409836 /nfs/dbraw/zinc/40/98/36/518409836.db2.gz HXGQATODACCQHN-MOPGFXCFSA-N 1 3 358.530 2.582 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@H]3CC[N@H+](CC(C)C)C3)c2cc1C ZINC000584585496 518409841 /nfs/dbraw/zinc/40/98/41/518409841.db2.gz HXGQATODACCQHN-MOPGFXCFSA-N 1 3 358.530 2.582 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000572941488 518429848 /nfs/dbraw/zinc/42/98/48/518429848.db2.gz MMXCNISNJUYNPQ-YLJYHZDGSA-N 1 3 372.513 2.767 20 0 FFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000567251565 518430743 /nfs/dbraw/zinc/43/07/43/518430743.db2.gz TUWKZCJQTROFKA-YYWHXJBOSA-N 1 3 373.541 2.560 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000564422150 518444849 /nfs/dbraw/zinc/44/48/49/518444849.db2.gz SATLSXWUXUPZLQ-QAPCUYQASA-N 1 3 364.559 2.652 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000564422150 518444859 /nfs/dbraw/zinc/44/48/59/518444859.db2.gz SATLSXWUXUPZLQ-QAPCUYQASA-N 1 3 364.559 2.652 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220131 518487783 /nfs/dbraw/zinc/48/77/83/518487783.db2.gz DONBDQNNCIKCIJ-PZJWPPBQSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220131 518487790 /nfs/dbraw/zinc/48/77/90/518487790.db2.gz DONBDQNNCIKCIJ-PZJWPPBQSA-N 1 3 372.484 2.720 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)COc1ccc(F)cc1 ZINC000576220131 518487799 /nfs/dbraw/zinc/48/77/99/518487799.db2.gz DONBDQNNCIKCIJ-PZJWPPBQSA-N 1 3 372.484 2.720 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000567392121 518501844 /nfs/dbraw/zinc/50/18/44/518501844.db2.gz FNXXUWJYHQJRTF-JHNDHUHGSA-N 1 3 369.431 2.942 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000564644812 518541780 /nfs/dbraw/zinc/54/17/80/518541780.db2.gz WCUCEMNZQMUHCS-GOSISDBHSA-N 1 3 369.513 2.795 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000564644812 518541786 /nfs/dbraw/zinc/54/17/86/518541786.db2.gz WCUCEMNZQMUHCS-GOSISDBHSA-N 1 3 369.513 2.795 20 0 FFADHO Cc1ccc(OC[C@@H](O)CNCc2ccc(CC[NH+](C)C)cc2)c(C)c1 ZINC000576339793 518544282 /nfs/dbraw/zinc/54/42/82/518544282.db2.gz HUVQWMDDAJXCIU-NRFANRHFSA-N 1 3 356.510 2.937 20 0 FFADHO NC[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000573190232 518547875 /nfs/dbraw/zinc/54/78/75/518547875.db2.gz IKXKABDHVRWZKN-JOCHJYFZSA-N 1 3 359.473 2.958 20 0 FFADHO C[C@@H](NC1CC1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000567498473 518557112 /nfs/dbraw/zinc/55/71/12/518557112.db2.gz ZAHQEDFGPDXAPT-GOSISDBHSA-N 1 3 357.542 2.978 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000564723787 518583471 /nfs/dbraw/zinc/58/34/71/518583471.db2.gz SNFDEGNKOUVQSC-WTNAPCKOSA-N 1 3 354.494 2.507 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H]1c1cccs1 ZINC000573308439 518604342 /nfs/dbraw/zinc/60/43/42/518604342.db2.gz GBZMKHVQTHERCU-SOLBZPMBSA-N 1 3 364.559 2.948 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000586870257 518669391 /nfs/dbraw/zinc/66/93/91/518669391.db2.gz SNVDPUUAMYHKSS-NRFANRHFSA-N 1 3 372.557 2.930 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000573493772 518692659 /nfs/dbraw/zinc/69/26/59/518692659.db2.gz GGGFBQASLPCWTN-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000573493772 518692663 /nfs/dbraw/zinc/69/26/63/518692663.db2.gz GGGFBQASLPCWTN-TZIWHRDSSA-N 1 3 358.530 2.682 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000576729871 518735859 /nfs/dbraw/zinc/73/58/59/518735859.db2.gz DTOQOYBPXIPJSI-ICSRJNTNSA-N 1 3 358.530 2.758 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3ncccc3C)CC2)CC1 ZINC000570696852 518736367 /nfs/dbraw/zinc/73/63/67/518736367.db2.gz RPPSRBQWEQBKDL-UHFFFAOYSA-N 1 3 372.557 2.635 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)c2ccccc2)CC1 ZINC000576807336 518772444 /nfs/dbraw/zinc/77/24/44/518772444.db2.gz HBISKQYYJOERGM-TZIWHRDSSA-N 1 3 358.530 2.840 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@]3(C)CCC[NH2+]C3)c(C)c2)CC1 ZINC000582534118 518799512 /nfs/dbraw/zinc/79/95/12/518799512.db2.gz NNVSTDVUVHWSSA-NRFANRHFSA-N 1 3 373.545 2.648 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000568008664 518828682 /nfs/dbraw/zinc/82/86/82/518828682.db2.gz GTJCKXJBCHGRKO-OAQYLSRUSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN1CCN(C)CC1 ZINC000582605674 518835057 /nfs/dbraw/zinc/83/50/57/518835057.db2.gz LTNLLTLMPAYFHM-UNMCSNQZSA-N 1 3 370.585 2.657 20 0 FFADHO C[C@@H](CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000579845215 518883691 /nfs/dbraw/zinc/88/36/91/518883691.db2.gz XTSNUAFICRVINP-RXVVDRJESA-N 1 3 358.530 2.682 20 0 FFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(Cl)cc1Cl ZINC000565300318 518888414 /nfs/dbraw/zinc/88/84/14/518888414.db2.gz QKBFJJKCTSSGJA-HNNXBMFYSA-N 1 3 359.297 2.950 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000565352750 518913216 /nfs/dbraw/zinc/91/32/16/518913216.db2.gz VZXIVXLVYPBYPJ-RYRKJORJSA-N 1 3 364.559 2.777 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](Cn3cccn3)C(C)C)cc2)CC1 ZINC000573985807 518932336 /nfs/dbraw/zinc/93/23/36/518932336.db2.gz GBUHESDVIMNDMM-QFIPXVFZSA-N 1 3 369.557 2.835 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4cccnc4)C3)CC2)CC1 ZINC000568228361 518939325 /nfs/dbraw/zinc/93/93/25/518939325.db2.gz XGJHMGOOFNEEJL-HXUWFJFHSA-N 1 3 370.541 2.594 20 0 FFADHO CN1CCN(CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000574017508 518947060 /nfs/dbraw/zinc/94/70/60/518947060.db2.gz IYVASZDSCKRVKJ-GHTZIAJQSA-N 1 3 363.521 2.911 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOC3CCCCC3)CC2)CC1 ZINC000568291272 518966174 /nfs/dbraw/zinc/96/61/74/518966174.db2.gz DXLZZHOVBPKSPW-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO COc1nc2ccccc2cc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000571179777 518966759 /nfs/dbraw/zinc/96/67/59/518966759.db2.gz AGFQCWVHWYKMQG-ICSRJNTNSA-N 1 3 355.482 2.962 20 0 FFADHO O=C1CC[C@@H](NCc2cnc(-c3ccccc3)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000574139366 519006778 /nfs/dbraw/zinc/00/67/78/519006778.db2.gz FUAVLWSNCYSMDV-MJGOQNOKSA-N 1 3 370.522 2.547 20 0 FFADHO C[N@H+](CCCNC(=O)N1CCc2ccccc2[C@H]1CN)Cc1ccccc1 ZINC000582963419 519010939 /nfs/dbraw/zinc/01/09/39/519010939.db2.gz RKYRXMYWZPFABF-OAQYLSRUSA-N 1 3 366.509 2.776 20 0 FFADHO C[N@@H+](CCCNC(=O)N1CCc2ccccc2[C@H]1CN)Cc1ccccc1 ZINC000582963419 519010945 /nfs/dbraw/zinc/01/09/45/519010945.db2.gz RKYRXMYWZPFABF-OAQYLSRUSA-N 1 3 366.509 2.776 20 0 FFADHO CN(CCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000571293990 519023259 /nfs/dbraw/zinc/02/32/59/519023259.db2.gz KYBQEAYPNYMVAI-OAQYLSRUSA-N 1 3 352.482 2.689 20 0 FFADHO Cc1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000583012417 519034345 /nfs/dbraw/zinc/03/43/45/519034345.db2.gz UYOQAJXJXUVBBA-GOSISDBHSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1ccc(CNCCC[N@H+]2CCCO[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000583012417 519034348 /nfs/dbraw/zinc/03/43/48/519034348.db2.gz UYOQAJXJXUVBBA-GOSISDBHSA-N 1 3 356.514 2.986 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000565652422 519064474 /nfs/dbraw/zinc/06/44/74/519064474.db2.gz NJHOCGYKCZEXSS-GOEBONIOSA-N 1 3 360.420 2.767 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000580244861 519077743 /nfs/dbraw/zinc/07/77/43/519077743.db2.gz BAWJPEVMFCVYMS-MJGOQNOKSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn([C@@H](C)C4CC4)c3)CC2)CC1 ZINC000568528986 519085051 /nfs/dbraw/zinc/08/50/51/519085051.db2.gz FOFMNWFGZWTDSO-INIZCTEOSA-N 1 3 373.545 2.989 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000589836462 519088492 /nfs/dbraw/zinc/08/84/92/519088492.db2.gz ZFOOYPDYASSWQJ-IBGZPJMESA-N 1 3 368.525 2.776 20 0 FFADHO Cc1cccc(Oc2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)nc2)c1 ZINC000577466335 519092691 /nfs/dbraw/zinc/09/26/91/519092691.db2.gz RFZMLLDXSWDUIE-UHFFFAOYSA-N 1 3 370.497 2.748 20 0 FFADHO C[C@H](CC(=O)N(C)c1ccccc1)NCc1ccncc1OCC[NH+](C)C ZINC000574313070 519094278 /nfs/dbraw/zinc/09/42/78/519094278.db2.gz IWDFUAHNMDAPBR-QGZVFWFLSA-N 1 3 370.497 2.553 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000577484128 519105545 /nfs/dbraw/zinc/10/55/45/519105545.db2.gz FVQUDEISGFDTIZ-HSZRJFAPSA-N 1 3 367.537 2.517 20 0 FFADHO CC1CCN([C@@H](CNC(=O)COC2CCC([NH3+])CC2)c2ccccc2)CC1 ZINC000571555887 519156457 /nfs/dbraw/zinc/15/64/57/519156457.db2.gz DETBXUAPEBHMCE-CBNMVNINSA-N 1 3 373.541 2.862 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000577637604 519182853 /nfs/dbraw/zinc/18/28/53/519182853.db2.gz JVSVJAOJCQRQKK-QZTJIDSGSA-N 1 3 365.468 2.602 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000577637604 519182860 /nfs/dbraw/zinc/18/28/60/519182860.db2.gz JVSVJAOJCQRQKK-QZTJIDSGSA-N 1 3 365.468 2.602 20 0 FFADHO CCSCC[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571700535 519228465 /nfs/dbraw/zinc/22/84/65/519228465.db2.gz UTZQGCQGONESNT-INIZCTEOSA-N 1 3 355.592 2.831 20 0 FFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000568862053 519255885 /nfs/dbraw/zinc/25/58/85/519255885.db2.gz BDFAFDRFLYSQPY-TZIWHRDSSA-N 1 3 372.557 2.613 20 0 FFADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cn2ccccc2n1 ZINC000571775989 519271046 /nfs/dbraw/zinc/27/10/46/519271046.db2.gz NWBCRIFULWZWOV-SFHVURJKSA-N 1 3 355.530 2.935 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000571777319 519272261 /nfs/dbraw/zinc/27/22/61/519272261.db2.gz HUOCKJYPLQSWER-QGZVFWFLSA-N 1 3 358.530 2.901 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCc1ccccc1OC1CCCC1 ZINC000566068865 519279124 /nfs/dbraw/zinc/27/91/24/519279124.db2.gz HQFQZKYEEDPONS-HDICACEKSA-N 1 3 371.525 2.556 20 0 FFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000566071355 519281066 /nfs/dbraw/zinc/28/10/66/519281066.db2.gz NKBCPMWUTDZXBC-QGZVFWFLSA-N 1 3 368.456 2.717 20 0 FFADHO Cc1ccc([C@H](CNC(=O)COC2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000574807922 519341416 /nfs/dbraw/zinc/34/14/16/519341416.db2.gz IHZBSNPZJITHSU-MHJFOBGBSA-N 1 3 359.514 2.535 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)Cn2cccn2)CC1 ZINC000574835902 519356590 /nfs/dbraw/zinc/35/65/90/519356590.db2.gz UKQLLLGGIGWUPZ-IBGZPJMESA-N 1 3 355.530 2.841 20 0 FFADHO CN(C(=O)NCc1ccc(C[NH3+])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000566188666 519360477 /nfs/dbraw/zinc/36/04/77/519360477.db2.gz APVHSPMACVCJOQ-NRFANRHFSA-N 1 3 366.509 2.951 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000572013165 519396950 /nfs/dbraw/zinc/39/69/50/519396950.db2.gz LWPRYTATDOWJIZ-LZLYRXPVSA-N 1 3 364.559 2.871 20 0 FFADHO CC(C)(CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CCc2ccccc2C1 ZINC000580882443 519407411 /nfs/dbraw/zinc/40/74/11/519407411.db2.gz JGRPKCCDPDJZSQ-UFYCRDLUSA-N 1 3 370.541 2.592 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000572112296 519450206 /nfs/dbraw/zinc/45/02/06/519450206.db2.gz BVNVRDSAHSNOST-MRXNPFEDSA-N 1 3 370.497 3.333 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000572112296 519450211 /nfs/dbraw/zinc/45/02/11/519450211.db2.gz BVNVRDSAHSNOST-MRXNPFEDSA-N 1 3 370.497 3.333 20 0 FFADHO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[C@@H](c1ccccc1)N(C)C ZINC000583860183 519470984 /nfs/dbraw/zinc/47/09/84/519470984.db2.gz SQNFTASCEUXENP-VHFSOBRXSA-N 1 3 367.497 2.711 20 0 FFADHO Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000578242061 519493790 /nfs/dbraw/zinc/49/37/90/519493790.db2.gz HSYIBJJNRYTWMC-IBGZPJMESA-N 1 3 364.493 2.886 20 0 FFADHO CC[C@H](O)C[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000569332427 519496357 /nfs/dbraw/zinc/49/63/57/519496357.db2.gz QRDRCQOAJSIZPV-QFIPXVFZSA-N 1 3 353.510 2.869 20 0 FFADHO CC[C@H](CSC)N(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566450452 519501357 /nfs/dbraw/zinc/50/13/57/519501357.db2.gz GBBJCAHKJICQHQ-QGZVFWFLSA-N 1 3 355.592 2.783 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cc2)CC1 ZINC000591202214 519546949 /nfs/dbraw/zinc/54/69/49/519546949.db2.gz LMQKGBPZGWFWEK-OAQYLSRUSA-N 1 3 372.557 2.773 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc2ccccc2c1 ZINC000572346462 519568189 /nfs/dbraw/zinc/56/81/89/519568189.db2.gz ODFVYWZTLCCTOX-HXUWFJFHSA-N 1 3 352.482 2.766 20 0 FFADHO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000584103843 519593024 /nfs/dbraw/zinc/59/30/24/519593024.db2.gz SBKNQLSEHAMJHV-LJQANCHMSA-N 1 3 366.509 2.517 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000591615984 519971528 /nfs/dbraw/zinc/97/15/28/519971528.db2.gz JEZQSEXYQLRNBR-GOSISDBHSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000591615984 519971534 /nfs/dbraw/zinc/97/15/34/519971534.db2.gz JEZQSEXYQLRNBR-GOSISDBHSA-N 1 3 358.530 2.695 20 0 FFADHO C[N@@H+](CCNC(=O)N1CCN(CC2CCCCC2)CC1)C1CCCC1 ZINC000591627448 519976759 /nfs/dbraw/zinc/97/67/59/519976759.db2.gz SLUZAURBKIHTOB-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO C[N@H+](CCNC(=O)N1CCN(CC2CCCCC2)CC1)C1CCCC1 ZINC000591627448 519976753 /nfs/dbraw/zinc/97/67/53/519976753.db2.gz SLUZAURBKIHTOB-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000594495642 520004749 /nfs/dbraw/zinc/00/47/49/520004749.db2.gz ROWLKSFDQJRTBX-GHTZIAJQSA-N 1 3 371.525 2.609 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000608638777 520059190 /nfs/dbraw/zinc/05/91/90/520059190.db2.gz ANKGDSWSKPWRLN-XUVXKRRUSA-N 1 3 356.514 2.529 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000608638777 520059196 /nfs/dbraw/zinc/05/91/96/520059196.db2.gz ANKGDSWSKPWRLN-XUVXKRRUSA-N 1 3 356.514 2.529 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000608676043 520077502 /nfs/dbraw/zinc/07/75/02/520077502.db2.gz ZWRVEMXMIZTDGS-MOPGFXCFSA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000608676043 520077509 /nfs/dbraw/zinc/07/75/09/520077509.db2.gz ZWRVEMXMIZTDGS-MOPGFXCFSA-N 1 3 350.551 2.815 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000608722026 520097833 /nfs/dbraw/zinc/09/78/33/520097833.db2.gz IVQKUWYKRCUXEC-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000608722026 520097841 /nfs/dbraw/zinc/09/78/41/520097841.db2.gz IVQKUWYKRCUXEC-OTYNDTSQSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000595066914 520277667 /nfs/dbraw/zinc/27/76/67/520277667.db2.gz GNFCTFYMBZNOSL-YVMJFWTCSA-N 1 3 352.544 2.967 20 0 FFADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000592493448 520415509 /nfs/dbraw/zinc/41/55/09/520415509.db2.gz RKEZCABOAJXNCZ-ROUUACIJSA-N 1 3 372.513 2.663 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000604107131 520452171 /nfs/dbraw/zinc/45/21/71/520452171.db2.gz LRHBKFQIUQKCOJ-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000604116941 520455169 /nfs/dbraw/zinc/45/51/69/520455169.db2.gz LYIBRJDMKQJHSY-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000604171501 520468922 /nfs/dbraw/zinc/46/89/22/520468922.db2.gz QJPFZYJUFQVDPK-WBVHZDCISA-N 1 3 350.532 2.667 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000604171501 520468926 /nfs/dbraw/zinc/46/89/26/520468926.db2.gz QJPFZYJUFQVDPK-WBVHZDCISA-N 1 3 350.532 2.667 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCC(C)CC2)C1 ZINC000600853631 520497874 /nfs/dbraw/zinc/49/78/74/520497874.db2.gz DAPDGVSMWKCPRW-GOSISDBHSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCC(C)CC2)C1 ZINC000600853631 520497881 /nfs/dbraw/zinc/49/78/81/520497881.db2.gz DAPDGVSMWKCPRW-GOSISDBHSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000617506233 520543270 /nfs/dbraw/zinc/54/32/70/520543270.db2.gz GNBKQJMPZAGKMB-FXAWDEMLSA-N 1 3 361.530 2.582 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000617506233 520543273 /nfs/dbraw/zinc/54/32/73/520543273.db2.gz GNBKQJMPZAGKMB-FXAWDEMLSA-N 1 3 361.530 2.582 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000617507463 520544885 /nfs/dbraw/zinc/54/48/85/520544885.db2.gz XMRWUVUUYOUUGZ-CFVMTHIKSA-N 1 3 371.447 2.596 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000617507463 520544890 /nfs/dbraw/zinc/54/48/90/520544890.db2.gz XMRWUVUUYOUUGZ-CFVMTHIKSA-N 1 3 371.447 2.596 20 0 FFADHO COc1ccc2ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2c1 ZINC000617507861 520545057 /nfs/dbraw/zinc/54/50/57/520545057.db2.gz LXUQZZYFGSKJKL-INIZCTEOSA-N 1 3 357.498 2.850 20 0 FFADHO COc1ccc2ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2c1 ZINC000617507861 520545062 /nfs/dbraw/zinc/54/50/62/520545062.db2.gz LXUQZZYFGSKJKL-INIZCTEOSA-N 1 3 357.498 2.850 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000601270729 520716462 /nfs/dbraw/zinc/71/64/62/520716462.db2.gz CJGRPQHJWPLLNN-RLLQIKCJSA-N 1 3 358.530 2.994 20 0 FFADHO CC(CN1CCC[C@H](n2ccnc2)C1)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000605574362 520917653 /nfs/dbraw/zinc/91/76/53/520917653.db2.gz OPCLSBZPFASIGH-PMACEKPBSA-N 1 3 356.518 2.690 20 0 FFADHO CC(CN1CCC[C@H](n2ccnc2)C1)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000605574362 520917659 /nfs/dbraw/zinc/91/76/59/520917659.db2.gz OPCLSBZPFASIGH-PMACEKPBSA-N 1 3 356.518 2.690 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000605989054 520988335 /nfs/dbraw/zinc/98/83/35/520988335.db2.gz WUOAZKYTUKUJGH-MOPGFXCFSA-N 1 3 350.551 2.911 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000599068674 521013528 /nfs/dbraw/zinc/01/35/28/521013528.db2.gz BXLPKCHQAHAQHQ-HZPDHXFCSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000599068674 521013539 /nfs/dbraw/zinc/01/35/39/521013539.db2.gz BXLPKCHQAHAQHQ-HZPDHXFCSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000599068674 521013544 /nfs/dbraw/zinc/01/35/44/521013544.db2.gz BXLPKCHQAHAQHQ-HZPDHXFCSA-N 1 3 361.486 2.512 20 0 FFADHO CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596454007 521079424 /nfs/dbraw/zinc/07/94/24/521079424.db2.gz ADVHFKKCMVHOEF-YESZJQIVSA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596454007 521079431 /nfs/dbraw/zinc/07/94/31/521079431.db2.gz ADVHFKKCMVHOEF-YESZJQIVSA-N 1 3 358.596 2.622 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000606700281 521140912 /nfs/dbraw/zinc/14/09/12/521140912.db2.gz HDZVOIBQYKSXHC-INIZCTEOSA-N 1 3 364.509 2.629 20 0 FFADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000606704015 521142500 /nfs/dbraw/zinc/14/25/00/521142500.db2.gz LRAOYQLJCUQGTE-FQEVSTJZSA-N 1 3 362.562 2.768 20 0 FFADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000606704015 521142508 /nfs/dbraw/zinc/14/25/08/521142508.db2.gz LRAOYQLJCUQGTE-FQEVSTJZSA-N 1 3 362.562 2.768 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000599319161 521149462 /nfs/dbraw/zinc/14/94/62/521149462.db2.gz KTKGOLPYDLVQIP-BKVYSMKUSA-N 1 3 366.546 2.666 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000599319161 521149466 /nfs/dbraw/zinc/14/94/66/521149466.db2.gz KTKGOLPYDLVQIP-BKVYSMKUSA-N 1 3 366.546 2.666 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000593876419 521266035 /nfs/dbraw/zinc/26/60/35/521266035.db2.gz XNQHDHSDNXFJQG-NSHGMRRFSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000593876419 521266043 /nfs/dbraw/zinc/26/60/43/521266043.db2.gz XNQHDHSDNXFJQG-NSHGMRRFSA-N 1 3 358.530 2.673 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000607937098 521510379 /nfs/dbraw/zinc/51/03/79/521510379.db2.gz ZVNIRNGWPPXBEZ-SFTDATJTSA-N 1 3 370.541 2.628 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@H](C(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000602847064 521566917 /nfs/dbraw/zinc/56/69/17/521566917.db2.gz RMWOODSTQUACGQ-IBGZPJMESA-N 1 3 365.562 2.599 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@H](C(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000602847064 521566923 /nfs/dbraw/zinc/56/69/23/521566923.db2.gz RMWOODSTQUACGQ-IBGZPJMESA-N 1 3 365.562 2.599 20 0 FFADHO CN1CCC[N@H+](CCCNCc2ccccc2OCC(F)(F)F)CC1 ZINC000608056010 521599426 /nfs/dbraw/zinc/59/94/26/521599426.db2.gz PWWCUUUAJCOBDI-UHFFFAOYSA-N 1 3 359.436 2.745 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2ccccc2OCC(F)(F)F)CC1 ZINC000608056010 521599430 /nfs/dbraw/zinc/59/94/30/521599430.db2.gz PWWCUUUAJCOBDI-UHFFFAOYSA-N 1 3 359.436 2.745 20 0 FFADHO N[C@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000631834005 521754616 /nfs/dbraw/zinc/75/46/16/521754616.db2.gz NCXQWIYRIPNRHF-ZDUSSCGKSA-N 1 3 354.292 2.981 20 0 FFADHO N[C@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000631834005 521754620 /nfs/dbraw/zinc/75/46/20/521754620.db2.gz NCXQWIYRIPNRHF-ZDUSSCGKSA-N 1 3 354.292 2.981 20 0 FFADHO Cn1cc([C@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2cccc(F)c2)cn1 ZINC000635011223 521864223 /nfs/dbraw/zinc/86/42/23/521864223.db2.gz YJKBKJGZQWJUOF-HXUWFJFHSA-N 1 3 366.444 2.565 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635011316 521865279 /nfs/dbraw/zinc/86/52/79/521865279.db2.gz NDZFOVLFJPRUAZ-PBHICJAKSA-N 1 3 353.532 2.877 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623454826 522035244 /nfs/dbraw/zinc/03/52/44/522035244.db2.gz PUOWFBDUDLHDJP-LJQANCHMSA-N 1 3 372.557 2.991 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623454826 522035254 /nfs/dbraw/zinc/03/52/54/522035254.db2.gz PUOWFBDUDLHDJP-LJQANCHMSA-N 1 3 372.557 2.991 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000626264487 522057667 /nfs/dbraw/zinc/05/76/67/522057667.db2.gz XWZSGXDWMDYVSE-UHFFFAOYSA-N 1 3 374.529 2.857 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N(C)C ZINC000620192231 522111044 /nfs/dbraw/zinc/11/10/44/522111044.db2.gz IPOLZFWAQBHIGG-WOJBJXKFSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N(C)C ZINC000620192231 522111048 /nfs/dbraw/zinc/11/10/48/522111048.db2.gz IPOLZFWAQBHIGG-WOJBJXKFSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623694068 522221156 /nfs/dbraw/zinc/22/11/56/522221156.db2.gz XGVBCIJBNBNXCA-HLAWJBBLSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623694068 522221170 /nfs/dbraw/zinc/22/11/70/522221170.db2.gz XGVBCIJBNBNXCA-HLAWJBBLSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623790253 522286382 /nfs/dbraw/zinc/28/63/82/522286382.db2.gz DHGFDKYGRWTDQP-ROUUACIJSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623790253 522286394 /nfs/dbraw/zinc/28/63/94/522286394.db2.gz DHGFDKYGRWTDQP-ROUUACIJSA-N 1 3 373.545 2.638 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000620551017 522290135 /nfs/dbraw/zinc/29/01/35/522290135.db2.gz XNJYHJVPYJZMBZ-JKSUJKDBSA-N 1 3 352.548 2.915 20 0 FFADHO CN1CCN(CCCC[NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000629554604 522307967 /nfs/dbraw/zinc/30/79/67/522307967.db2.gz MREXJYSXTDZFRJ-UHFFFAOYSA-N 1 3 359.558 2.693 20 0 FFADHO COC[C@H](C)N(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000629590334 522336481 /nfs/dbraw/zinc/33/64/81/522336481.db2.gz VALLHUMTAIAETC-QMZRJTEUSA-N 1 3 368.521 2.942 20 0 FFADHO COC[C@H](C)[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000629590334 522336492 /nfs/dbraw/zinc/33/64/92/522336492.db2.gz VALLHUMTAIAETC-QMZRJTEUSA-N 1 3 368.521 2.942 20 0 FFADHO COC[C@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000629590334 522336498 /nfs/dbraw/zinc/33/64/98/522336498.db2.gz VALLHUMTAIAETC-QMZRJTEUSA-N 1 3 368.521 2.942 20 0 FFADHO COc1ccc(-c2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)on2)cc1 ZINC000629591357 522338891 /nfs/dbraw/zinc/33/88/91/522338891.db2.gz GAHDHEPUFBDTJC-IBGZPJMESA-N 1 3 371.481 2.941 20 0 FFADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000620677066 522353485 /nfs/dbraw/zinc/35/34/85/522353485.db2.gz BZMXXXOYRQDACK-FQEVSTJZSA-N 1 3 358.530 2.684 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000632914305 522389825 /nfs/dbraw/zinc/38/98/25/522389825.db2.gz IUZMLGMSAXSBSC-ZCNNSNEGSA-N 1 3 364.578 2.918 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000626922005 522531118 /nfs/dbraw/zinc/53/11/18/522531118.db2.gz MGTIEMMUEREXSJ-SESVDKBCSA-N 1 3 358.530 2.711 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000626984532 522572440 /nfs/dbraw/zinc/57/24/40/522572440.db2.gz HTFDGNSPMOCTPX-LJIGWXMPSA-N 1 3 350.532 2.571 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627200712 522713519 /nfs/dbraw/zinc/71/35/19/522713519.db2.gz UALSCWXXTHUZQB-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)ccn1 ZINC000621269504 522737634 /nfs/dbraw/zinc/73/76/34/522737634.db2.gz WZBACICOBCORKF-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCN(C2CCC2)C1 ZINC000627499724 522876093 /nfs/dbraw/zinc/87/60/93/522876093.db2.gz YLNYOHBEHGALBI-JRGCBEDISA-N 1 3 355.526 2.665 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCN(C2CCC2)C1 ZINC000627499724 522876099 /nfs/dbraw/zinc/87/60/99/522876099.db2.gz YLNYOHBEHGALBI-JRGCBEDISA-N 1 3 355.526 2.665 20 0 FFADHO CN(C)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000636304034 522899768 /nfs/dbraw/zinc/89/97/68/522899768.db2.gz QMUMNVPRPQOZJU-XJKSGUPXSA-N 1 3 357.420 2.766 20 0 FFADHO CN(C)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000636304034 522899785 /nfs/dbraw/zinc/89/97/85/522899785.db2.gz QMUMNVPRPQOZJU-XJKSGUPXSA-N 1 3 357.420 2.766 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621656721 523000167 /nfs/dbraw/zinc/00/01/67/523000167.db2.gz VYRFPEHHPOHKQU-HNNXBMFYSA-N 1 3 353.457 2.635 20 0 FFADHO CNC(=O)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000631196362 523452299 /nfs/dbraw/zinc/45/22/99/523452299.db2.gz QFKQWYOPOJSUBR-DYESRHJHSA-N 1 3 351.494 2.904 20 0 FFADHO O[C@]1(CN2CCN(C3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634645979 523547311 /nfs/dbraw/zinc/54/73/11/523547311.db2.gz WMQHGPVVPVDUDL-QFIPXVFZSA-N 1 3 357.542 2.574 20 0 FFADHO O[C@]1(CN2CCN(C3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634645979 523547324 /nfs/dbraw/zinc/54/73/24/523547324.db2.gz WMQHGPVVPVDUDL-QFIPXVFZSA-N 1 3 357.542 2.574 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]CC2CCN(CC(F)F)CC2)cc1 ZINC000623088769 523676568 /nfs/dbraw/zinc/67/65/68/523676568.db2.gz CXPVRLYPAZMUAI-UHFFFAOYSA-N 1 3 355.473 2.694 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCNc4cnccn4)[C@H]3C2)cc1 ZINC000512648884 561911286 /nfs/dbraw/zinc/91/12/86/561911286.db2.gz PIXGXJVTFVASAS-UFYCRDLUSA-N 1 3 351.498 2.779 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCNc4cnccn4)[C@H]3C2)cc1 ZINC000512648884 561911288 /nfs/dbraw/zinc/91/12/88/561911288.db2.gz PIXGXJVTFVASAS-UFYCRDLUSA-N 1 3 351.498 2.779 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCNc4cnccn4)[C@H]3C2)cc1 ZINC000512648884 561911289 /nfs/dbraw/zinc/91/12/89/561911289.db2.gz PIXGXJVTFVASAS-UFYCRDLUSA-N 1 3 351.498 2.779 20 0 FFADHO Cc1[nH+]c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)cc2[nH]ccc21 ZINC001164769534 721182748 /nfs/dbraw/zinc/18/27/48/721182748.db2.gz MSNWVDHIURACJY-DLBZAZTESA-N 1 3 350.470 2.563 20 0 FFADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000638669752 730038471 /nfs/dbraw/zinc/03/84/71/730038471.db2.gz AXPNLWYVLODFOE-UONOGXRCSA-N 1 3 358.360 2.855 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000924954968 738465180 /nfs/dbraw/zinc/46/51/80/738465180.db2.gz YQYIFNAUMXSYNV-GJZGRUSLSA-N 1 3 369.351 2.768 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000652287673 731180641 /nfs/dbraw/zinc/18/06/41/731180641.db2.gz CGPFWELZOJKSQH-UHFFFAOYSA-N 1 3 360.527 2.741 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925495587 738510624 /nfs/dbraw/zinc/51/06/24/738510624.db2.gz ZEYBMFCQFQQCQC-RTBURBONSA-N 1 3 350.528 2.608 20 0 FFADHO CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000653600914 731277315 /nfs/dbraw/zinc/27/73/15/731277315.db2.gz YLSGLYQBSDYCJD-DOTOQJQBSA-N 1 3 350.503 2.980 20 0 FFADHO CC1(C)[C@@H](NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925651393 738520217 /nfs/dbraw/zinc/52/02/17/738520217.db2.gz BRKYGBYXDZRNDA-OSLDLMBLSA-N 1 3 356.432 2.621 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000925651393 738520219 /nfs/dbraw/zinc/52/02/19/738520219.db2.gz BRKYGBYXDZRNDA-OSLDLMBLSA-N 1 3 356.432 2.621 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657347480 731772138 /nfs/dbraw/zinc/77/21/38/731772138.db2.gz TZYPZIZVOZIDDP-CQSZACIVSA-N 1 3 359.436 2.790 20 0 FFADHO COc1cc(F)c([C@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1OC ZINC000873292222 731897629 /nfs/dbraw/zinc/89/76/29/731897629.db2.gz PNISPKUEYSZNQR-UONOGXRCSA-N 1 3 352.450 2.652 20 0 FFADHO C[NH2+]CCN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(C)C ZINC000925997882 738554994 /nfs/dbraw/zinc/55/49/94/738554994.db2.gz MTICGIQSROCPMB-UHFFFAOYSA-N 1 3 364.559 2.740 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000659303255 731961004 /nfs/dbraw/zinc/96/10/04/731961004.db2.gz NFJAPJSBBOFPQH-UONOGXRCSA-N 1 3 360.376 2.719 20 0 FFADHO C[C@H]1CN(CCc2nsc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660153756 732073400 /nfs/dbraw/zinc/07/34/00/732073400.db2.gz HNEKDHJATICYKS-LPHOPBHVSA-N 1 3 358.555 2.797 20 0 FFADHO C[C@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000660153756 732073401 /nfs/dbraw/zinc/07/34/01/732073401.db2.gz HNEKDHJATICYKS-LPHOPBHVSA-N 1 3 358.555 2.797 20 0 FFADHO C[C@H]1C[N@@H+](CCc2nsc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000660153756 732073407 /nfs/dbraw/zinc/07/34/07/732073407.db2.gz HNEKDHJATICYKS-LPHOPBHVSA-N 1 3 358.555 2.797 20 0 FFADHO CO[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)C1CCCCC1 ZINC000660276162 732092552 /nfs/dbraw/zinc/09/25/52/732092552.db2.gz NZQZLLSLTUJRHA-FQEVSTJZSA-N 1 3 351.579 2.931 20 0 FFADHO Clc1ccc(O[C@H]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662259273 732289504 /nfs/dbraw/zinc/28/95/04/732289504.db2.gz UAGOOBNTJQCOPG-KBPBESRZSA-N 1 3 357.281 2.968 20 0 FFADHO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000876879624 732290915 /nfs/dbraw/zinc/29/09/15/732290915.db2.gz LUVFXTRCJQLJCF-AEFFLSMTSA-N 1 3 367.896 2.712 20 0 FFADHO Clc1ccc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC000662334935 732299631 /nfs/dbraw/zinc/29/96/31/732299631.db2.gz DQHHPINENSWDSC-INIZCTEOSA-N 1 3 359.905 2.852 20 0 FFADHO Clc1ccc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)nn1 ZINC000877129800 732326550 /nfs/dbraw/zinc/32/65/50/732326550.db2.gz FQQCLASDTRCQFR-UHFFFAOYSA-N 1 3 360.889 2.937 20 0 FFADHO [NH3+]C[C@@H](NC(=O)c1cc2c(s1)CCNC2)c1ccc2ccccc2c1 ZINC000662563219 732334407 /nfs/dbraw/zinc/33/44/07/732334407.db2.gz UAQUMZRBTUSAIF-QGZVFWFLSA-N 1 3 351.475 2.977 20 0 FFADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)NC(=O)OC(C)(C)C ZINC000926511202 738623627 /nfs/dbraw/zinc/62/36/27/738623627.db2.gz AKDBYELNJJMMNC-MGNMYUMUSA-N 1 3 355.523 2.521 20 0 FFADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)NC(=O)OC(C)(C)C ZINC000926511202 738623628 /nfs/dbraw/zinc/62/36/28/738623628.db2.gz AKDBYELNJJMMNC-MGNMYUMUSA-N 1 3 355.523 2.521 20 0 FFADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665355924 732698095 /nfs/dbraw/zinc/69/80/95/732698095.db2.gz BPBRGNKBLZUWJE-MRXNPFEDSA-N 1 3 352.548 2.694 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000665761672 732753105 /nfs/dbraw/zinc/75/31/05/732753105.db2.gz MPRALKFNEXQEGZ-HNNXBMFYSA-N 1 3 366.937 2.680 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000665761672 732753110 /nfs/dbraw/zinc/75/31/10/732753110.db2.gz MPRALKFNEXQEGZ-HNNXBMFYSA-N 1 3 366.937 2.680 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000666208553 732818800 /nfs/dbraw/zinc/81/88/00/732818800.db2.gz TUJCJLOKPDXLEV-ZDUSSCGKSA-N 1 3 355.552 2.834 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000666208553 732818807 /nfs/dbraw/zinc/81/88/07/732818807.db2.gz TUJCJLOKPDXLEV-ZDUSSCGKSA-N 1 3 355.552 2.834 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C[C@@H](O)c1cc(Br)no1 ZINC000880517387 732918621 /nfs/dbraw/zinc/91/86/21/732918621.db2.gz PUYJBMXSYCIVKD-CYBMUJFWSA-N 1 3 360.296 2.668 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000880577784 732925445 /nfs/dbraw/zinc/92/54/45/732925445.db2.gz KULNERSNDOKNJA-NRFANRHFSA-N 1 3 351.579 2.931 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000880577784 732925448 /nfs/dbraw/zinc/92/54/48/732925448.db2.gz KULNERSNDOKNJA-NRFANRHFSA-N 1 3 351.579 2.931 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC(C)([NH3+])CC2)N(C)C)cc1 ZINC000669592696 733251501 /nfs/dbraw/zinc/25/15/01/733251501.db2.gz JRYCLNMXIBSORJ-INIZCTEOSA-N 1 3 350.532 2.534 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](CC)C[NH+]1CCCC1)c1ccco1 ZINC000672942637 733572462 /nfs/dbraw/zinc/57/24/62/733572462.db2.gz JWSLJMBMNGTWLT-ULQDDVLXSA-N 1 3 350.507 2.882 20 0 FFADHO C[NH+](C)CCCCNCc1cccc(F)c1I ZINC000721649453 734382388 /nfs/dbraw/zinc/38/23/88/734382388.db2.gz SHSIQWYCQVVULZ-UHFFFAOYSA-N 1 3 350.219 2.862 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCSC(C)(C)C3)CC2)CC1 ZINC000892522140 734569166 /nfs/dbraw/zinc/56/91/66/734569166.db2.gz QUMKXMICUWENGE-MRXNPFEDSA-N 1 3 368.591 2.518 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CC1 ZINC000893496498 734709634 /nfs/dbraw/zinc/70/96/34/734709634.db2.gz CABLAULWPFZXRQ-MOPGFXCFSA-N 1 3 350.551 2.623 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CCCN(C)C3)CC2)CC1 ZINC000893814979 734756091 /nfs/dbraw/zinc/75/60/91/734756091.db2.gz ZGSKTSLONNPJSQ-CTWPCTMYSA-N 1 3 350.551 2.765 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000903842776 736173624 /nfs/dbraw/zinc/17/36/24/736173624.db2.gz UNQDQIITRRCTGJ-TXKWRHDYSA-N 1 3 364.287 2.514 20 0 FFADHO COc1c(Br)cccc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904392931 736248202 /nfs/dbraw/zinc/24/82/02/736248202.db2.gz DQRYRHPNMCRMFS-AWEZNQCLSA-N 1 3 369.303 2.788 20 0 FFADHO C[NH+]1CCC(CNC(=S)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000760462288 736640950 /nfs/dbraw/zinc/64/09/50/736640950.db2.gz GQQUPJDDIDCVTC-INIZCTEOSA-N 1 3 366.600 2.691 20 0 FFADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1Cl ZINC000819172764 742347438 /nfs/dbraw/zinc/34/74/38/742347438.db2.gz GCCWQPWBDPCUGG-QRVBRYPASA-N 1 3 352.906 2.731 20 0 FFADHO Cc1cc(Br)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000799346038 740411107 /nfs/dbraw/zinc/41/11/07/740411107.db2.gz UEXFBNPDCWVAOE-UHFFFAOYSA-N 1 3 354.336 2.873 20 0 FFADHO Cc1nc(CN[C@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001029100754 742804936 /nfs/dbraw/zinc/80/49/36/742804936.db2.gz FHHZJOXKSOULLW-HBUWYVDXSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1nc(CN[C@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001029100754 742804945 /nfs/dbraw/zinc/80/49/45/742804945.db2.gz FHHZJOXKSOULLW-HBUWYVDXSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827595135 743608087 /nfs/dbraw/zinc/60/80/87/743608087.db2.gz XMIXBMRVPTVUTO-JGGQBBKZSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827595135 743608092 /nfs/dbraw/zinc/60/80/92/743608092.db2.gz XMIXBMRVPTVUTO-JGGQBBKZSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827625079 744950126 /nfs/dbraw/zinc/95/01/26/744950126.db2.gz KEWABLYOGUSDAR-IARIHHJXSA-N 1 3 366.937 2.916 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(Cl)n1 ZINC000827625079 744950128 /nfs/dbraw/zinc/95/01/28/744950128.db2.gz KEWABLYOGUSDAR-IARIHHJXSA-N 1 3 366.937 2.916 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NCc2cccc(C[NH+](C)C)c2)cc(Cl)n1 ZINC000831840931 745592959 /nfs/dbraw/zinc/59/29/59/745592959.db2.gz WJRMZPMWJYHUPU-QGZVFWFLSA-N 1 3 360.889 2.811 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCS[C@H](C)C3)CC2)CC1 ZINC000834645615 745876574 /nfs/dbraw/zinc/87/65/74/745876574.db2.gz ZYAULEHTDHPRLB-WBVHZDCISA-N 1 3 353.576 2.583 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCCc3cc(C[NH3+])ccc32)cc(Cl)n1 ZINC000841848938 747475721 /nfs/dbraw/zinc/47/57/21/747475721.db2.gz VPZDNNWCHQEUFV-INIZCTEOSA-N 1 3 358.873 2.871 20 0 FFADHO COc1cc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1Cl ZINC001275834681 1013055238 /nfs/dbraw/zinc/05/52/38/1013055238.db2.gz HVTCRWYDWRUZLD-IIAWOOMASA-N 1 3 367.921 2.625 20 0 FFADHO COc1cc(CN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1Cl ZINC001275834681 1013055253 /nfs/dbraw/zinc/05/52/53/1013055253.db2.gz HVTCRWYDWRUZLD-IIAWOOMASA-N 1 3 367.921 2.625 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2c(C)noc2C)C1 ZINC001104932603 971175921 /nfs/dbraw/zinc/17/59/21/971175921.db2.gz CHCJLRPIOAJGNB-CRAIPNDOSA-N 1 3 364.534 2.598 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2c(C)noc2C)C1 ZINC001104932603 971175926 /nfs/dbraw/zinc/17/59/26/971175926.db2.gz CHCJLRPIOAJGNB-CRAIPNDOSA-N 1 3 364.534 2.598 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](OC)C2CCCC2)C1 ZINC001104938633 971189393 /nfs/dbraw/zinc/18/93/93/971189393.db2.gz YUWCREIAHAQXHB-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001105066936 971446228 /nfs/dbraw/zinc/44/62/28/971446228.db2.gz GZEFNQRZRDISCM-JFIYKMOQSA-N 1 3 364.559 2.592 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3ccn4c[nH+]cc4c3)cc2F)CC1 ZINC001151902806 1032059951 /nfs/dbraw/zinc/05/99/51/1032059951.db2.gz QUYBAPOWMHGIOJ-UHFFFAOYSA-N 1 3 367.428 2.868 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000896789949 971709725 /nfs/dbraw/zinc/70/97/25/971709725.db2.gz LECRSYVFSMTSSX-RXVVDRJESA-N 1 3 373.541 2.925 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000896789949 971709730 /nfs/dbraw/zinc/70/97/30/971709730.db2.gz LECRSYVFSMTSSX-RXVVDRJESA-N 1 3 373.541 2.925 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)cc4)CC[C@@H]3C2)CCC1 ZINC001087992360 971735500 /nfs/dbraw/zinc/73/55/00/971735500.db2.gz QXMSPEQZINHEHE-MSOLQXFVSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(F)cc4)CC[C@@H]3C2)CCC1 ZINC001087992360 971735506 /nfs/dbraw/zinc/73/55/06/971735506.db2.gz QXMSPEQZINHEHE-MSOLQXFVSA-N 1 3 359.489 2.590 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCC(F)(F)C4)CC[C@@H]3C2)CCC1 ZINC001087992742 971735527 /nfs/dbraw/zinc/73/55/27/971735527.db2.gz JOYKGWMXHHRVNL-BBWFWOEESA-N 1 3 369.500 2.686 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCC(F)(F)C4)CC[C@@H]3C2)CCC1 ZINC001087992742 971735533 /nfs/dbraw/zinc/73/55/33/971735533.db2.gz JOYKGWMXHHRVNL-BBWFWOEESA-N 1 3 369.500 2.686 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CC[C@@H]2C1)C1CCC1 ZINC001087995062 971745862 /nfs/dbraw/zinc/74/58/62/971745862.db2.gz QFMLBTNWULILLC-XQBPLPMBSA-N 1 3 367.537 2.939 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccccc43)CC[C@@H]2C1)C1CCC1 ZINC001087995062 971745866 /nfs/dbraw/zinc/74/58/66/971745866.db2.gz QFMLBTNWULILLC-XQBPLPMBSA-N 1 3 367.537 2.939 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)N(C)C ZINC001088002355 971790596 /nfs/dbraw/zinc/79/05/96/971790596.db2.gz BGBDAHWHSXUPJS-AABGKKOBSA-N 1 3 361.574 2.933 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)N(C)C ZINC001088002355 971790601 /nfs/dbraw/zinc/79/06/01/971790601.db2.gz BGBDAHWHSXUPJS-AABGKKOBSA-N 1 3 361.574 2.933 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000728792904 971803595 /nfs/dbraw/zinc/80/35/95/971803595.db2.gz LUIBCEJESVLHHI-UHFFFAOYSA-N 1 3 374.598 2.799 20 0 FFADHO CCC[NH+]1CCC(NC[C@@]2(COC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000311433808 971955749 /nfs/dbraw/zinc/95/57/49/971955749.db2.gz SAFFAEORGOZPRV-HXUWFJFHSA-N 1 3 369.550 2.867 20 0 FFADHO CN(C)C[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)c2ccccc2O1 ZINC000655015487 959279344 /nfs/dbraw/zinc/27/93/44/959279344.db2.gz QCEWQZTUEVNSKK-SFHVURJKSA-N 1 3 357.498 2.607 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(Cc1ccccc1C(F)F)CC2 ZINC001275972312 1013244603 /nfs/dbraw/zinc/24/46/03/1013244603.db2.gz DCYHNAKOKQMNOU-QGZVFWFLSA-N 1 3 365.468 2.904 20 0 FFADHO COc1cccc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1Cl ZINC001276007194 1013278057 /nfs/dbraw/zinc/27/80/57/1013278057.db2.gz LSKWEVBXMAGVCA-GDBMZVCRSA-N 1 3 367.921 2.627 20 0 FFADHO COc1cccc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1Cl ZINC001276007194 1013278064 /nfs/dbraw/zinc/27/80/64/1013278064.db2.gz LSKWEVBXMAGVCA-GDBMZVCRSA-N 1 3 367.921 2.627 20 0 FFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000122276681 962077131 /nfs/dbraw/zinc/07/71/31/962077131.db2.gz IUHXLGXYQLOFJN-AZUAARDMSA-N 1 3 371.525 2.566 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001104290780 962325673 /nfs/dbraw/zinc/32/56/73/962325673.db2.gz CZVIQNSAQHFUSL-XFQXTVEOSA-N 1 3 361.505 2.740 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccccc2O1 ZINC000649347393 1013364645 /nfs/dbraw/zinc/36/46/45/1013364645.db2.gz VBQSAOWHDMPRGX-MSOLQXFVSA-N 1 3 353.466 2.822 20 0 FFADHO CCN1CCN(c2cccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2)CC1 ZINC000656255929 962988627 /nfs/dbraw/zinc/98/86/27/962988627.db2.gz NOJNNOGVFGUKIU-JOCHJYFZSA-N 1 3 372.557 2.884 20 0 FFADHO Cc1ccc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c(F)c1F ZINC001276068022 1013400758 /nfs/dbraw/zinc/40/07/58/1013400758.db2.gz UIHRUIZCRZABQR-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC[C@H]1[NH3+] ZINC000647938154 964282436 /nfs/dbraw/zinc/28/24/36/964282436.db2.gz HINGFOQMHXPZBT-IEBWSBKVSA-N 1 3 369.513 2.877 20 0 FFADHO CN1CCC[C@@H]1CC[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC000933462543 964417427 /nfs/dbraw/zinc/41/74/27/964417427.db2.gz BJMFWUIUAZNPOA-QGZVFWFLSA-N 1 3 367.534 2.573 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638416424 964850254 /nfs/dbraw/zinc/85/02/54/964850254.db2.gz BAGAZUBDWQQBGI-CTNGQTDRSA-N 1 3 365.477 2.808 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638416424 964850266 /nfs/dbraw/zinc/85/02/66/964850266.db2.gz BAGAZUBDWQQBGI-CTNGQTDRSA-N 1 3 365.477 2.808 20 0 FFADHO c1ccc([C@@H]2[NH2+]CCC[C@@H]2c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001211847816 965146211 /nfs/dbraw/zinc/14/62/11/965146211.db2.gz HOPSTOKVRQLUDK-LPHOPBHVSA-N 1 3 361.449 2.986 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001087181238 965289030 /nfs/dbraw/zinc/28/90/30/965289030.db2.gz HWQZORRNTFDXAU-UIAACRFSSA-N 1 3 360.546 2.755 20 0 FFADHO Cc1nc(C[NH2+]CC[C@@H]2CN(C(=O)c3ccn4cncc4c3)C[C@H]2C)co1 ZINC001104388295 965430063 /nfs/dbraw/zinc/43/00/63/965430063.db2.gz PRVFCYFSJNOXIK-RHSMWYFYSA-N 1 3 367.453 2.519 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)c3ccn4cncc4c3)C[C@H]2C)no1 ZINC001104388994 965545294 /nfs/dbraw/zinc/54/52/94/965545294.db2.gz CCFXIHCEPRVKOW-RHSMWYFYSA-N 1 3 367.453 2.519 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645361600 965787230 /nfs/dbraw/zinc/78/72/30/965787230.db2.gz RZNIYSUKFVGNAG-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645361600 965787237 /nfs/dbraw/zinc/78/72/37/965787237.db2.gz RZNIYSUKFVGNAG-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000648169568 965930218 /nfs/dbraw/zinc/93/02/18/965930218.db2.gz XZGYGZDAURUSCS-QFUCXCTJSA-N 1 3 373.541 2.974 20 0 FFADHO CCCn1nc(C)c(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1C ZINC000657596080 966941730 /nfs/dbraw/zinc/94/17/30/966941730.db2.gz ULYFTJDVMZDPHR-FQEVSTJZSA-N 1 3 356.514 2.766 20 0 FFADHO CCCn1nc(C)c(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1C ZINC000657596080 966941736 /nfs/dbraw/zinc/94/17/36/966941736.db2.gz ULYFTJDVMZDPHR-FQEVSTJZSA-N 1 3 356.514 2.766 20 0 FFADHO CC(C)C(=O)N1CC[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@@H]21 ZINC001167993697 967151532 /nfs/dbraw/zinc/15/15/32/967151532.db2.gz PDCKLUJNOWFSLD-BKUVARHGSA-N 1 3 359.558 2.971 20 0 FFADHO CC(C)C(=O)N1CC[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@@H]21 ZINC001167993697 967151545 /nfs/dbraw/zinc/15/15/45/967151545.db2.gz PDCKLUJNOWFSLD-BKUVARHGSA-N 1 3 359.558 2.971 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000650706598 967552013 /nfs/dbraw/zinc/55/20/13/967552013.db2.gz OHCJTDHZOARCPY-VAMGGRTRSA-N 1 3 352.482 2.862 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000650724129 967606313 /nfs/dbraw/zinc/60/63/13/967606313.db2.gz YOFPLDWWDCUBPG-MISYRCLQSA-N 1 3 358.461 2.872 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001023372760 967747567 /nfs/dbraw/zinc/74/75/67/967747567.db2.gz XCXJKJNCYGTZBR-YSIASYRMSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC001023372760 967747580 /nfs/dbraw/zinc/74/75/80/967747580.db2.gz XCXJKJNCYGTZBR-YSIASYRMSA-N 1 3 361.505 2.884 20 0 FFADHO CC[C@@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669483840 967753116 /nfs/dbraw/zinc/75/31/16/967753116.db2.gz OYFZXTWPBLQRGI-YZGWKJHDSA-N 1 3 358.530 2.982 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252941 967854716 /nfs/dbraw/zinc/85/47/16/967854716.db2.gz AVMZYXWQQLZIJI-YXKFXFPPSA-N 1 3 360.452 2.923 20 0 FFADHO C[NH+](C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1)C1CC1 ZINC001211615861 968028102 /nfs/dbraw/zinc/02/81/02/968028102.db2.gz KCKKJQVYMDCPHM-UYAJICSZSA-N 1 3 361.917 2.663 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1CCOc1ccccc1C ZINC001087578172 968230819 /nfs/dbraw/zinc/23/08/19/968230819.db2.gz GBVWBSZWGYDVFQ-YSTOQKLRSA-N 1 3 373.541 2.683 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CCOc1ccccc1C ZINC001087578172 968230823 /nfs/dbraw/zinc/23/08/23/968230823.db2.gz GBVWBSZWGYDVFQ-YSTOQKLRSA-N 1 3 373.541 2.683 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CCOC1 ZINC000658077888 968526921 /nfs/dbraw/zinc/52/69/21/968526921.db2.gz RTDAKHUDTVIKRD-QMCAAQAGSA-N 1 3 358.526 2.928 20 0 FFADHO COc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1O ZINC000658135363 968540955 /nfs/dbraw/zinc/54/09/55/968540955.db2.gz DJTDAEIJRJMTRD-BEFAXECRSA-N 1 3 356.466 2.818 20 0 FFADHO COc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1O ZINC000658135363 968540964 /nfs/dbraw/zinc/54/09/64/968540964.db2.gz DJTDAEIJRJMTRD-BEFAXECRSA-N 1 3 356.466 2.818 20 0 FFADHO CN(c1cc(C2CC2)nc(C2CC2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892482896 969086240 /nfs/dbraw/zinc/08/62/40/969086240.db2.gz WGHNDRSHNAGIPS-SFHVURJKSA-N 1 3 355.530 2.836 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCc1ccccc1F ZINC001087796909 969102689 /nfs/dbraw/zinc/10/26/89/969102689.db2.gz QLEOJPWFUXJPSH-LSTHTHJFSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCc1ccccc1F ZINC001087796909 969102695 /nfs/dbraw/zinc/10/26/95/969102695.db2.gz QLEOJPWFUXJPSH-LSTHTHJFSA-N 1 3 361.505 2.679 20 0 FFADHO CCc1ccc2c(CN(C)CCN(C)C3CC[NH+](C)CC3)cc(=O)oc2c1 ZINC000177379116 969205311 /nfs/dbraw/zinc/20/53/11/969205311.db2.gz LYSZHKOWZCMZNR-UHFFFAOYSA-N 1 3 371.525 2.813 20 0 FFADHO CN(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000892599122 969554288 /nfs/dbraw/zinc/55/42/88/969554288.db2.gz QEHDPSUAGXAOED-WOZUAGRISA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033934 969642842 /nfs/dbraw/zinc/64/28/42/969642842.db2.gz ZWAMKUGWLFCMJC-CLWJZODNSA-N 1 3 374.529 2.835 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033934 969642846 /nfs/dbraw/zinc/64/28/46/969642846.db2.gz ZWAMKUGWLFCMJC-CLWJZODNSA-N 1 3 374.529 2.835 20 0 FFADHO C[NH+](C)CC1(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCCC1 ZINC000659037209 969656765 /nfs/dbraw/zinc/65/67/65/969656765.db2.gz HTACKYZXFFVBGT-SFHVURJKSA-N 1 3 360.502 2.591 20 0 FFADHO COC[C@]1(CNC2CC[NH+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000311385586 969926414 /nfs/dbraw/zinc/92/64/14/969926414.db2.gz ZAUFTHYMJMMXDH-HXUWFJFHSA-N 1 3 369.550 2.865 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N(C)Cc1ccccc1 ZINC000659454148 969943146 /nfs/dbraw/zinc/94/31/46/969943146.db2.gz XSLQGHVXZVZSMG-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000659469102 969963923 /nfs/dbraw/zinc/96/39/23/969963923.db2.gz KMGGIEWRWSIGRF-RTBURBONSA-N 1 3 364.509 2.889 20 0 FFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000659469102 969963929 /nfs/dbraw/zinc/96/39/29/969963929.db2.gz KMGGIEWRWSIGRF-RTBURBONSA-N 1 3 364.509 2.889 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659478831 969967677 /nfs/dbraw/zinc/96/76/77/969967677.db2.gz USOIJVRUMMMHLB-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNC/C(Cl)=C/Cl)C1 ZINC001104676585 970083815 /nfs/dbraw/zinc/08/38/15/970083815.db2.gz QMEGBAXBFHMXKT-WNNYFSLPSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNC/C(Cl)=C/Cl)C1 ZINC001104676585 970083826 /nfs/dbraw/zinc/08/38/26/970083826.db2.gz QMEGBAXBFHMXKT-WNNYFSLPSA-N 1 3 362.345 2.864 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cs1 ZINC001104679090 970087314 /nfs/dbraw/zinc/08/73/14/970087314.db2.gz GARZUTFWPUPEDQ-FRQCXROJSA-N 1 3 363.571 2.973 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665366715 970396114 /nfs/dbraw/zinc/39/61/14/970396114.db2.gz GITXESCBXUXJSK-KRWDZBQOSA-N 1 3 364.509 2.772 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109435 972835217 /nfs/dbraw/zinc/83/52/17/972835217.db2.gz FLRDZALETRTBQV-HKBOAZHASA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001088109435 972835226 /nfs/dbraw/zinc/83/52/26/972835226.db2.gz FLRDZALETRTBQV-HKBOAZHASA-N 1 3 357.542 2.870 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3C)CC[C@@H]2C1)N(C)C ZINC001088109707 972841620 /nfs/dbraw/zinc/84/16/20/972841620.db2.gz UCNDHIVBESMYJG-KPFFTGBYSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3C)CC[C@@H]2C1)N(C)C ZINC001088109707 972841629 /nfs/dbraw/zinc/84/16/29/972841629.db2.gz UCNDHIVBESMYJG-KPFFTGBYSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1 ZINC001088121236 972917378 /nfs/dbraw/zinc/91/73/78/972917378.db2.gz VPZYYMSISMZTRE-UXHICEINSA-N 1 3 366.509 2.674 20 0 FFADHO Cc1ccc(CCC[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1 ZINC001088121236 972917389 /nfs/dbraw/zinc/91/73/89/972917389.db2.gz VPZYYMSISMZTRE-UXHICEINSA-N 1 3 366.509 2.674 20 0 FFADHO C[C@H](C(=O)N1C[C@H]2CCN(Cc3ccccn3)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001088129232 972974451 /nfs/dbraw/zinc/97/44/51/972974451.db2.gz CODXTTQTDBVSDV-AQNXPRMDSA-N 1 3 370.541 2.626 20 0 FFADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CCN(C/C=C\Cl)C[C@H]3C2)cc1 ZINC001088141955 973073142 /nfs/dbraw/zinc/07/31/42/973073142.db2.gz LPYKTXMGENALKJ-AOHKXWJDSA-N 1 3 361.917 2.895 20 0 FFADHO COc1cccc([C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N2CCCC2)c1 ZINC000237282801 974020893 /nfs/dbraw/zinc/02/08/93/974020893.db2.gz UWGVISYXIRGWNY-DYESRHJHSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000665757385 974082551 /nfs/dbraw/zinc/08/25/51/974082551.db2.gz IAMUPTYVTKRQLI-IRXDYDNUSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000665757385 974082565 /nfs/dbraw/zinc/08/25/65/974082565.db2.gz IAMUPTYVTKRQLI-IRXDYDNUSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000665759811 974093027 /nfs/dbraw/zinc/09/30/27/974093027.db2.gz PZDAOSPCDDZMFQ-WMZOPIPTSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000665759811 974093038 /nfs/dbraw/zinc/09/30/38/974093038.db2.gz PZDAOSPCDDZMFQ-WMZOPIPTSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000893485456 974650944 /nfs/dbraw/zinc/65/09/44/974650944.db2.gz YFYJQUVLQXMMJL-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000893485456 974650948 /nfs/dbraw/zinc/65/09/48/974650948.db2.gz YFYJQUVLQXMMJL-HOJAQTOUSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000652190918 974689438 /nfs/dbraw/zinc/68/94/38/974689438.db2.gz CKMSQMZJCZBLDP-KUHUBIRLSA-N 1 3 358.461 2.775 20 0 FFADHO CC(C)(CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000047910023 974689682 /nfs/dbraw/zinc/68/96/82/974689682.db2.gz UABHRTSDEDBDHF-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211673327 974762396 /nfs/dbraw/zinc/76/23/96/974762396.db2.gz CNEUFZOQHSAWQU-XWMRFZLKSA-N 1 3 361.917 2.807 20 0 FFADHO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211673327 974762398 /nfs/dbraw/zinc/76/23/98/974762398.db2.gz CNEUFZOQHSAWQU-XWMRFZLKSA-N 1 3 361.917 2.807 20 0 FFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000662293288 975409572 /nfs/dbraw/zinc/40/95/72/975409572.db2.gz FUNWVWKAZOXARL-PZJWPPBQSA-N 1 3 355.526 2.892 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662298723 975412618 /nfs/dbraw/zinc/41/26/18/975412618.db2.gz XJEVZAYPTRPZGQ-FQEVSTJZSA-N 1 3 373.541 2.803 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000662446131 975552534 /nfs/dbraw/zinc/55/25/34/975552534.db2.gz XNGNZMQDUUABEE-DENIHFKCSA-N 1 3 363.505 2.902 20 0 FFADHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000662446131 975552547 /nfs/dbraw/zinc/55/25/47/975552547.db2.gz XNGNZMQDUUABEE-DENIHFKCSA-N 1 3 363.505 2.902 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001027892956 975735890 /nfs/dbraw/zinc/73/58/90/975735890.db2.gz IHSJLQZXUWEXQY-BHIFYINESA-N 1 3 369.553 2.986 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001027892956 975735903 /nfs/dbraw/zinc/73/59/03/975735903.db2.gz IHSJLQZXUWEXQY-BHIFYINESA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H](C(=O)NCCC1CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000653271961 1014291924 /nfs/dbraw/zinc/29/19/24/1014291924.db2.gz SQFCSXSWEQLWSL-SFHVURJKSA-N 1 3 357.542 2.836 20 0 FFADHO CCN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCN(C)C1 ZINC000663516871 976110929 /nfs/dbraw/zinc/11/09/29/976110929.db2.gz CKTZHPXMINOMIO-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO COc1cccc(C(=O)N2CCC(N(C)CCC[NH+]3CCCC3)CC2)c1 ZINC001167879384 977180075 /nfs/dbraw/zinc/18/00/75/977180075.db2.gz PVWVOQZVVJOABZ-UHFFFAOYSA-N 1 3 359.514 2.718 20 0 FFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087457895 977901643 /nfs/dbraw/zinc/90/16/43/977901643.db2.gz XQMICFBXFIYLBN-WOJBJXKFSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(F)ccc1F ZINC001482532052 979111863 /nfs/dbraw/zinc/11/18/63/979111863.db2.gz PLDZWVRQGSYABW-MZMPZRCHSA-N 1 3 353.457 2.535 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(F)ccc1F ZINC001482532052 979111866 /nfs/dbraw/zinc/11/18/66/979111866.db2.gz PLDZWVRQGSYABW-MZMPZRCHSA-N 1 3 353.457 2.535 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCc3ccns3)C2)CC[N@@H+]1C ZINC001088317387 979140178 /nfs/dbraw/zinc/14/01/78/979140178.db2.gz AAJQBPGCNOLEDI-BPQIPLTHSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCc3ccns3)C2)CC[N@H+]1C ZINC001088317387 979140185 /nfs/dbraw/zinc/14/01/85/979140185.db2.gz AAJQBPGCNOLEDI-BPQIPLTHSA-N 1 3 364.559 2.734 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001076241474 979260373 /nfs/dbraw/zinc/26/03/73/979260373.db2.gz QAEVGQHABROURR-VOQZNFBZSA-N 1 3 367.537 2.692 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC001076241474 979260382 /nfs/dbraw/zinc/26/03/82/979260382.db2.gz QAEVGQHABROURR-VOQZNFBZSA-N 1 3 367.537 2.692 20 0 FFADHO O=C(N1CC[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467250 979523269 /nfs/dbraw/zinc/52/32/69/979523269.db2.gz GTQULEDSZIQQJN-PKOBYXMFSA-N 1 3 365.477 2.561 20 0 FFADHO C[C@@H]1NCCn2c(-c3nc(-c4ccc(OCC[NH+](C)C)cc4)no3)ccc21 ZINC000904552164 980298816 /nfs/dbraw/zinc/29/88/16/980298816.db2.gz MKZAYSZXOUVSOJ-AWEZNQCLSA-N 1 3 367.453 2.810 20 0 FFADHO O[C@@H](CCC1(O)CCC1)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000905379007 980431514 /nfs/dbraw/zinc/43/15/14/980431514.db2.gz BCUTWNHSJCKVHO-RTWAWAEBSA-N 1 3 372.553 2.934 20 0 FFADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[C@H](O)c1ccccc1 ZINC000905910096 980544327 /nfs/dbraw/zinc/54/43/27/980544327.db2.gz UDIMWZNVAIYNLG-GOTSBHOMSA-N 1 3 368.521 2.768 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000877747251 1014707375 /nfs/dbraw/zinc/70/73/75/1014707375.db2.gz FDXJMDQVZKBXEL-UHFFFAOYSA-N 1 3 353.514 2.597 20 0 FFADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)c(C)s1 ZINC001088568489 981158905 /nfs/dbraw/zinc/15/89/05/981158905.db2.gz JTVGTZXHNZBERJ-ZMYBRWDISA-N 1 3 361.555 2.786 20 0 FFADHO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(NC3=NCCC3)cc2)CCCO1 ZINC000907758204 981287031 /nfs/dbraw/zinc/28/70/31/981287031.db2.gz ZCRJXVGSGXMVFC-INIZCTEOSA-N 1 3 358.486 2.522 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(NC3=NCCC3)cc2)CCCO1 ZINC000907758204 981287034 /nfs/dbraw/zinc/28/70/34/981287034.db2.gz ZCRJXVGSGXMVFC-INIZCTEOSA-N 1 3 358.486 2.522 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000654659131 1014826346 /nfs/dbraw/zinc/82/63/46/1014826346.db2.gz AKKSGIDOGMZEAR-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=S)NCC1CC[NH+](C)CC1 ZINC000760492139 982444774 /nfs/dbraw/zinc/44/47/74/982444774.db2.gz HATDVZKLXAJICD-SFHVURJKSA-N 1 3 374.598 2.799 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000897922832 982555639 /nfs/dbraw/zinc/55/56/39/982555639.db2.gz YEGGZJRKTJWNMJ-FQEVSTJZSA-N 1 3 359.514 2.867 20 0 FFADHO C[NH+](C)C1CCC(N2Cc3cncn3C[C@H](COc3ccccn3)C2)CC1 ZINC001168322918 982906744 /nfs/dbraw/zinc/90/67/44/982906744.db2.gz JANRBULVAXZWHM-LMDPOFIKSA-N 1 3 369.513 2.662 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121660517 983012061 /nfs/dbraw/zinc/01/20/61/983012061.db2.gz HCLXMTMIZNIHCN-HBMCJLEFSA-N 1 3 374.525 2.691 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2)C1CC1 ZINC001107439343 984539978 /nfs/dbraw/zinc/53/99/78/984539978.db2.gz WUVGUGQKMDNTHJ-WSTZPKSXSA-N 1 3 353.526 2.827 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2)C1CC1 ZINC001107439343 984539984 /nfs/dbraw/zinc/53/99/84/984539984.db2.gz WUVGUGQKMDNTHJ-WSTZPKSXSA-N 1 3 353.526 2.827 20 0 FFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000651228339 1015062790 /nfs/dbraw/zinc/06/27/90/1015062790.db2.gz WWHHWPRKLMDZDE-IEBWSBKVSA-N 1 3 367.541 2.906 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CN1Cc1ccccc1 ZINC000669528942 984734798 /nfs/dbraw/zinc/73/47/98/984734798.db2.gz VHZHLCJVXXVRHG-IIBYNOLFSA-N 1 3 364.493 2.752 20 0 FFADHO C[C@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H](c1ccccc1)N(C)C ZINC000669583356 984850398 /nfs/dbraw/zinc/85/03/98/984850398.db2.gz MXHZBVIAPWGVMU-MGPUTAFESA-N 1 3 352.482 2.780 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669586905 984866399 /nfs/dbraw/zinc/86/63/99/984866399.db2.gz PXOHKWPSKDCVRA-PKOBYXMFSA-N 1 3 362.518 2.518 20 0 FFADHO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126625865 985570235 /nfs/dbraw/zinc/57/02/35/985570235.db2.gz HCRWXJRLQXTCQV-LEWJYISDSA-N 1 3 370.541 2.709 20 0 FFADHO S=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000063149326 985738219 /nfs/dbraw/zinc/73/82/19/985738219.db2.gz VLKJRSRKMOWXKL-PMACEKPBSA-N 1 3 372.582 2.742 20 0 FFADHO S=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000063149326 985738221 /nfs/dbraw/zinc/73/82/21/985738221.db2.gz VLKJRSRKMOWXKL-PMACEKPBSA-N 1 3 372.582 2.742 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)c2ccccc2O1 ZINC000655015484 985900320 /nfs/dbraw/zinc/90/03/20/985900320.db2.gz QCEWQZTUEVNSKK-GOSISDBHSA-N 1 3 357.498 2.607 20 0 FFADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000651477405 1015173588 /nfs/dbraw/zinc/17/35/88/1015173588.db2.gz IJSUJZSFJNWQKH-CRSSMBPESA-N 1 3 355.526 2.921 20 0 FFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001032640658 986236591 /nfs/dbraw/zinc/23/65/91/986236591.db2.gz OZVPDYBIQIQLFN-BURNTYAHSA-N 1 3 355.526 2.663 20 0 FFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001032640658 986236606 /nfs/dbraw/zinc/23/66/06/986236606.db2.gz OZVPDYBIQIQLFN-BURNTYAHSA-N 1 3 355.526 2.663 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CCc2ccccc2C1 ZINC000518137223 986378076 /nfs/dbraw/zinc/37/80/76/986378076.db2.gz ADWRXNCXUUNOGH-UNMCSNQZSA-N 1 3 370.541 2.608 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC000999204095 986397746 /nfs/dbraw/zinc/39/77/46/986397746.db2.gz CXSRIIPBGJWNDP-WSTZPKSXSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC000999204095 986397761 /nfs/dbraw/zinc/39/77/61/986397761.db2.gz CXSRIIPBGJWNDP-WSTZPKSXSA-N 1 3 361.505 2.945 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672884202 987647694 /nfs/dbraw/zinc/64/76/94/987647694.db2.gz OIRMCAJEGFRFET-QKLQHJQFSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1)[NH+](C)C ZINC001106281770 987838934 /nfs/dbraw/zinc/83/89/34/987838934.db2.gz BSIVMHQNQKBQPF-VLAJVKLXSA-N 1 3 350.334 2.576 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@H]1C(C)C ZINC000922395314 988545088 /nfs/dbraw/zinc/54/50/88/988545088.db2.gz UYMUXFNNLZOCEQ-LFGUQSLTSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@H]1C(C)C ZINC000922395314 988545099 /nfs/dbraw/zinc/54/50/99/988545099.db2.gz UYMUXFNNLZOCEQ-LFGUQSLTSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3OC)C2)[C@@H]1C(C)C ZINC000922394123 988555009 /nfs/dbraw/zinc/55/50/09/988555009.db2.gz VDQMBKKTDOYUNV-RMVXJAJNSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(OC)ccc3OC)C2)[C@@H]1C(C)C ZINC000922394123 988555023 /nfs/dbraw/zinc/55/50/23/988555023.db2.gz VDQMBKKTDOYUNV-RMVXJAJNSA-N 1 3 362.514 2.663 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001106663071 988598759 /nfs/dbraw/zinc/59/87/59/988598759.db2.gz QGGJAJSJLRDBPL-OZOMLXOISA-N 1 3 355.526 2.868 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCc3ccccc3)[C@H](C)C2)C1 ZINC001106666250 988609453 /nfs/dbraw/zinc/60/94/53/988609453.db2.gz IAQUDBBAEMIWQM-QKNQBKEWSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106666919 988609568 /nfs/dbraw/zinc/60/95/68/988609568.db2.gz ZXMALLXFDMAITD-MDYRTPRTSA-N 1 3 353.526 2.683 20 0 FFADHO COCCOCc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673602163 988775004 /nfs/dbraw/zinc/77/50/04/988775004.db2.gz SCPIYYVVCYWPGZ-NRFANRHFSA-N 1 3 362.514 2.583 20 0 FFADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106729095 988790301 /nfs/dbraw/zinc/79/03/01/988790301.db2.gz HYCBLCLLOXGXEV-JVTBQGBFSA-N 1 3 362.345 2.721 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](CNCc2cc(C)no2)[C@H](C)C1)C(C)C ZINC001106778167 989032711 /nfs/dbraw/zinc/03/27/11/989032711.db2.gz BZSLVPULIHSDCX-SZVBFZGTSA-N 1 3 364.534 2.534 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC001106783164 989043949 /nfs/dbraw/zinc/04/39/49/989043949.db2.gz JFRMMSOFSFRKOE-IEBWSBKVSA-N 1 3 361.530 2.530 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001085196730 989912259 /nfs/dbraw/zinc/91/22/59/989912259.db2.gz LGNQDGAOBNFLKM-QRVBRYPASA-N 1 3 362.493 2.611 20 0 FFADHO Cc1cc(F)ccc1CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214410 989969738 /nfs/dbraw/zinc/96/97/38/989969738.db2.gz MAVDLICYAMDUCF-LSTHTHJFSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1cc(F)ccc1CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214410 989969744 /nfs/dbraw/zinc/96/97/44/989969744.db2.gz MAVDLICYAMDUCF-LSTHTHJFSA-N 1 3 361.505 2.945 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000675120266 990061803 /nfs/dbraw/zinc/06/18/03/990061803.db2.gz WVSCSRDYNWGEQH-LQWHRVPQSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000675120266 990061809 /nfs/dbraw/zinc/06/18/09/990061809.db2.gz WVSCSRDYNWGEQH-LQWHRVPQSA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000675182911 990105061 /nfs/dbraw/zinc/10/50/61/990105061.db2.gz YXKGMZWMAIHHNC-MISYRCLQSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675577116 990309879 /nfs/dbraw/zinc/30/98/79/990309879.db2.gz WSJHJPKZGOIIHL-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000675742833 990369069 /nfs/dbraw/zinc/36/90/69/990369069.db2.gz WZUALQYEURECQQ-PZJWPPBQSA-N 1 3 358.574 2.655 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000676221907 990512903 /nfs/dbraw/zinc/51/29/03/990512903.db2.gz DIEBCGLIWGPOLK-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000676221907 990512909 /nfs/dbraw/zinc/51/29/09/990512909.db2.gz DIEBCGLIWGPOLK-FQEVSTJZSA-N 1 3 358.530 2.636 20 0 FFADHO C[C@H](CCN1CCC[C@H](c2cc[nH]n2)C1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000676250811 990526529 /nfs/dbraw/zinc/52/65/29/990526529.db2.gz WHCPKZJZKJJRTQ-SQNIBIBYSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CCN1CCC[C@H](c2cc[nH]n2)C1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000676250811 990526538 /nfs/dbraw/zinc/52/65/38/990526538.db2.gz WHCPKZJZKJJRTQ-SQNIBIBYSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000676250811 990526547 /nfs/dbraw/zinc/52/65/47/990526547.db2.gz WHCPKZJZKJJRTQ-SQNIBIBYSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000676250811 990526555 /nfs/dbraw/zinc/52/65/55/990526555.db2.gz WHCPKZJZKJJRTQ-SQNIBIBYSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CN(Cc3ccc4ccccc4c3)C2)CC[N@@H+]1C ZINC001031681312 990953459 /nfs/dbraw/zinc/95/34/59/990953459.db2.gz MNLJLQPNOZJVHZ-IIBYNOLFSA-N 1 3 351.494 2.728 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCC2CN(Cc3ccc4ccccc4c3)C2)CC[N@H+]1C ZINC001031681312 990953461 /nfs/dbraw/zinc/95/34/61/990953461.db2.gz MNLJLQPNOZJVHZ-IIBYNOLFSA-N 1 3 351.494 2.728 20 0 FFADHO CN1CCN(C2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000879591990 1015600757 /nfs/dbraw/zinc/60/07/57/1015600757.db2.gz BWAHXNLITJOFBG-UHFFFAOYSA-N 1 3 371.447 2.796 20 0 FFADHO CN1CC[NH+](C2CCN(CCOc3cccc4ccccc43)CC2)CC1 ZINC000879592716 1015600892 /nfs/dbraw/zinc/60/08/92/1015600892.db2.gz ODSIXMGDAVLRTI-UHFFFAOYSA-N 1 3 353.510 2.930 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000923390844 991110078 /nfs/dbraw/zinc/11/00/78/991110078.db2.gz YOLXAPSAXLUKBY-DACLVMHWSA-N 1 3 372.431 2.957 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000923501523 991196130 /nfs/dbraw/zinc/19/61/30/991196130.db2.gz UZQPBLPGCHKOFC-IPYPFGDCSA-N 1 3 373.419 2.679 20 0 FFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760175 991300904 /nfs/dbraw/zinc/30/09/04/991300904.db2.gz YDKBLTRFIAFGRR-KSSFIOAISA-N 1 3 367.449 2.951 20 0 FFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671760175 991300913 /nfs/dbraw/zinc/30/09/13/991300913.db2.gz YDKBLTRFIAFGRR-KSSFIOAISA-N 1 3 367.449 2.951 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2C)[C@H](C)C1 ZINC001106907817 991435691 /nfs/dbraw/zinc/43/56/91/991435691.db2.gz DSXUVUIBLSDGDZ-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@H](C)C1 ZINC001106910293 991493616 /nfs/dbraw/zinc/49/36/16/991493616.db2.gz VWXPMBYLRCJUJV-SJLPKXTDSA-N 1 3 357.498 2.959 20 0 FFADHO C[C@@H](NCc1ccccc1C[NH2+][C@H](C)c1ccnn1C)c1ccnn1C ZINC000879685996 1015638316 /nfs/dbraw/zinc/63/83/16/1015638316.db2.gz QFHDKDFUGDQJOJ-HZPDHXFCSA-N 1 3 352.486 2.855 20 0 FFADHO O[C@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000382172656 991875974 /nfs/dbraw/zinc/87/59/74/991875974.db2.gz QQOXRJKSHGBTIR-NHCUHLMSSA-N 1 3 354.494 2.928 20 0 FFADHO O[C@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000382172656 991875980 /nfs/dbraw/zinc/87/59/80/991875980.db2.gz QQOXRJKSHGBTIR-NHCUHLMSSA-N 1 3 354.494 2.928 20 0 FFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1ccccc1F ZINC001079309863 992010678 /nfs/dbraw/zinc/01/06/78/992010678.db2.gz VISWMEZQYCFUDR-DFQSSKMNSA-N 1 3 363.521 2.952 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1ccccc1F ZINC001079311414 992012495 /nfs/dbraw/zinc/01/24/95/992012495.db2.gz ZAYSBUXWOOZDNM-PKOBYXMFSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(OC)c3C)C[C@H]2C)CC[N@@H+]1C ZINC001079732762 992370461 /nfs/dbraw/zinc/37/04/61/992370461.db2.gz RRZGJIMZGPKVPC-XWPNQZOQSA-N 1 3 373.541 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3cccc(OC)c3C)C[C@H]2C)CC[N@H+]1C ZINC001079732762 992370468 /nfs/dbraw/zinc/37/04/68/992370468.db2.gz RRZGJIMZGPKVPC-XWPNQZOQSA-N 1 3 373.541 2.670 20 0 FFADHO Cc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)c1 ZINC001079843801 992483245 /nfs/dbraw/zinc/48/32/45/992483245.db2.gz JTECWTIKXPQJIY-HMXCVIKNSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)c1 ZINC001079843801 992483247 /nfs/dbraw/zinc/48/32/47/992483247.db2.gz JTECWTIKXPQJIY-HMXCVIKNSA-N 1 3 357.542 2.909 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)cs1 ZINC001107030602 993215896 /nfs/dbraw/zinc/21/58/96/993215896.db2.gz OBOCBKOMMUIDMI-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001107036217 993285439 /nfs/dbraw/zinc/28/54/39/993285439.db2.gz JCTZHMHWFKHEPW-HMXCVIKNSA-N 1 3 357.542 2.788 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2sccc2Cl)[C@H](C)C1 ZINC001107039730 993300941 /nfs/dbraw/zinc/30/09/41/993300941.db2.gz WBUROQLNINCFRH-ZIAGYGMSSA-N 1 3 357.951 2.926 20 0 FFADHO C[C@@H]1CN(Cc2cccc(C(F)F)c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943071 993494572 /nfs/dbraw/zinc/49/45/72/993494572.db2.gz NUUZBGOIJLIOJR-RHSMWYFYSA-N 1 3 351.441 2.657 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1NC(=O)CN1CCCC1 ZINC001080943071 993494575 /nfs/dbraw/zinc/49/45/75/993494575.db2.gz NUUZBGOIJLIOJR-RHSMWYFYSA-N 1 3 351.441 2.657 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1NC(=O)CN1CCCC1 ZINC001080943071 993494578 /nfs/dbraw/zinc/49/45/78/993494578.db2.gz NUUZBGOIJLIOJR-RHSMWYFYSA-N 1 3 351.441 2.657 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CC2)C1 ZINC001081231401 993769907 /nfs/dbraw/zinc/76/99/07/993769907.db2.gz HJRAQYLHGICRTP-HBMCJLEFSA-N 1 3 355.526 2.855 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CCCC[C@H]3C)cc2)CC1 ZINC000727105697 994490812 /nfs/dbraw/zinc/49/08/12/994490812.db2.gz MMGNKTOGLQXQFZ-XLIONFOSSA-N 1 3 358.530 2.935 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC001082512128 994759572 /nfs/dbraw/zinc/75/95/72/994759572.db2.gz MEKDHLQVVZSFSA-IEBWSBKVSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C)sn1 ZINC001082559106 994933197 /nfs/dbraw/zinc/93/31/97/994933197.db2.gz STUDXIGMMYDAGM-QGPMSJSTSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)sn1 ZINC001082559106 994933205 /nfs/dbraw/zinc/93/32/05/994933205.db2.gz STUDXIGMMYDAGM-QGPMSJSTSA-N 1 3 364.559 2.651 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001082570367 994967510 /nfs/dbraw/zinc/96/75/10/994967510.db2.gz IUHOTZVBJMTNDX-IDHHARJASA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCc1ccc(F)c(F)c1 ZINC001082570367 994967523 /nfs/dbraw/zinc/96/75/23/994967523.db2.gz IUHOTZVBJMTNDX-IDHHARJASA-N 1 3 365.468 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3ncc(C)s3)C2)CC[N@@H+]1C ZINC001086700989 995329994 /nfs/dbraw/zinc/32/99/94/995329994.db2.gz XANRXHWTZHHBJC-VVLHAWIVSA-N 1 3 364.559 2.556 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3ncc(C)s3)C2)CC[N@H+]1C ZINC001086700989 995329999 /nfs/dbraw/zinc/32/99/99/995329999.db2.gz XANRXHWTZHHBJC-VVLHAWIVSA-N 1 3 364.559 2.556 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC001082741007 995394671 /nfs/dbraw/zinc/39/46/71/995394671.db2.gz MWPDAHAGCVJQLD-LLGFUMIMSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC001082740688 995395899 /nfs/dbraw/zinc/39/58/99/995395899.db2.gz COIVVIDKTOBQJP-BFYDXBDKSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(Cl)s3)C2)C1 ZINC001082741929 995399051 /nfs/dbraw/zinc/39/90/51/995399051.db2.gz KLTLVWWLGTWOKC-UMVBOHGHSA-N 1 3 355.935 2.680 20 0 FFADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082784160 995492699 /nfs/dbraw/zinc/49/26/99/995492699.db2.gz DQKGIJYOFCXPSU-AUUYWEPGSA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1NCc1cncc(F)c1 ZINC001082808368 995553346 /nfs/dbraw/zinc/55/33/46/995553346.db2.gz JTJRYNFNPPSVKN-FOIQADDNSA-N 1 3 370.472 2.533 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001082852193 995648741 /nfs/dbraw/zinc/64/87/41/995648741.db2.gz YVRDJPUSOMFVPO-NXHRZFHOSA-N 1 3 364.559 2.734 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001082852193 995648746 /nfs/dbraw/zinc/64/87/46/995648746.db2.gz YVRDJPUSOMFVPO-NXHRZFHOSA-N 1 3 364.559 2.734 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084338324 996468117 /nfs/dbraw/zinc/46/81/17/996468117.db2.gz NLRQBLQSILFRLZ-QHAWAJNXSA-N 1 3 355.526 2.901 20 0 FFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338324 996468122 /nfs/dbraw/zinc/46/81/22/996468122.db2.gz NLRQBLQSILFRLZ-QHAWAJNXSA-N 1 3 355.526 2.901 20 0 FFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484522 996604391 /nfs/dbraw/zinc/60/43/91/996604391.db2.gz ZVOIRUHRLJWYPW-NHCUHLMSSA-N 1 3 367.537 2.910 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCCc3ccccc3)C[C@H]21)N(C)C ZINC001084638749 996752088 /nfs/dbraw/zinc/75/20/88/996752088.db2.gz QQERGMWHZAUPJY-NJDAHSKKSA-N 1 3 357.542 2.738 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCCc3ccccc3)C[C@H]21)N(C)C ZINC001084638749 996752092 /nfs/dbraw/zinc/75/20/92/996752092.db2.gz QQERGMWHZAUPJY-NJDAHSKKSA-N 1 3 357.542 2.738 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c1 ZINC001084661668 996782486 /nfs/dbraw/zinc/78/24/86/996782486.db2.gz DFEASUOHBKXIGH-ZLGUVYLKSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)[C@@H]3C2)c1 ZINC001084661668 996782495 /nfs/dbraw/zinc/78/24/95/996782495.db2.gz DFEASUOHBKXIGH-ZLGUVYLKSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@H](F)CCN1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663634 996795019 /nfs/dbraw/zinc/79/50/19/996795019.db2.gz LKRUNRXLHUHGAF-PWIZWCRZSA-N 1 3 361.505 2.685 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001084773399 997297028 /nfs/dbraw/zinc/29/70/28/997297028.db2.gz OGKCAPNFJKJEPG-XUVXKRRUSA-N 1 3 359.489 2.531 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001084773399 997297038 /nfs/dbraw/zinc/29/70/38/997297038.db2.gz OGKCAPNFJKJEPG-XUVXKRRUSA-N 1 3 359.489 2.531 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c1 ZINC001084773629 997298070 /nfs/dbraw/zinc/29/80/70/997298070.db2.gz XCMDIQJSRAKKTN-CEWLAPEOSA-N 1 3 355.526 2.678 20 0 FFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)c1 ZINC001084773629 997298082 /nfs/dbraw/zinc/29/80/82/997298082.db2.gz XCMDIQJSRAKKTN-CEWLAPEOSA-N 1 3 355.526 2.678 20 0 FFADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc(N3CCCC3)cc1)CC[NH2+]CC2 ZINC000844223954 997714134 /nfs/dbraw/zinc/71/41/34/997714134.db2.gz CGULFHJLGGPPIK-QGZVFWFLSA-N 1 3 356.514 2.689 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881133182 1016168114 /nfs/dbraw/zinc/16/81/14/1016168114.db2.gz SGRNMGHOKRRHRF-HXUWFJFHSA-N 1 3 373.545 2.775 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000881133182 1016168118 /nfs/dbraw/zinc/16/81/18/1016168118.db2.gz SGRNMGHOKRRHRF-HXUWFJFHSA-N 1 3 373.545 2.775 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]32)cs1 ZINC001084958811 998359496 /nfs/dbraw/zinc/35/94/96/998359496.db2.gz XDPOBAUWCBBUTB-NEWSRXKRSA-N 1 3 361.555 2.820 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]32)cs1 ZINC001084958811 998359510 /nfs/dbraw/zinc/35/95/10/998359510.db2.gz XDPOBAUWCBBUTB-NEWSRXKRSA-N 1 3 361.555 2.820 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001084963166 998377672 /nfs/dbraw/zinc/37/76/72/998377672.db2.gz CFKCTAIZNKQNGW-PMPSAXMXSA-N 1 3 361.452 2.736 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001084963166 998377685 /nfs/dbraw/zinc/37/76/85/998377685.db2.gz CFKCTAIZNKQNGW-PMPSAXMXSA-N 1 3 361.452 2.736 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085225008 999195165 /nfs/dbraw/zinc/19/51/65/999195165.db2.gz DMYBJQHITKQGCJ-KBAYOESNSA-N 1 3 364.559 2.923 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085225008 999195167 /nfs/dbraw/zinc/19/51/67/999195167.db2.gz DMYBJQHITKQGCJ-KBAYOESNSA-N 1 3 364.559 2.923 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(Cl)cc2F)C1 ZINC001085422066 999496276 /nfs/dbraw/zinc/49/62/76/999496276.db2.gz GQGHUJDNDBHBBH-BMGDILEWSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(Cl)cc2F)C1 ZINC001085422066 999496279 /nfs/dbraw/zinc/49/62/79/999496279.db2.gz GQGHUJDNDBHBBH-BMGDILEWSA-N 1 3 367.896 2.948 20 0 FFADHO CCc1ccccc1CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085605890 999587367 /nfs/dbraw/zinc/58/73/67/999587367.db2.gz WTQVSYJYNJCFFW-DUXKGJEZSA-N 1 3 357.542 2.664 20 0 FFADHO CCc1ccccc1CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085605890 999587370 /nfs/dbraw/zinc/58/73/70/999587370.db2.gz WTQVSYJYNJCFFW-DUXKGJEZSA-N 1 3 357.542 2.664 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC001086090729 999761623 /nfs/dbraw/zinc/76/16/23/999761623.db2.gz OCUJJWTYBOMQPB-UTJXIGIESA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC001086090729 999761626 /nfs/dbraw/zinc/76/16/26/999761626.db2.gz OCUJJWTYBOMQPB-UTJXIGIESA-N 1 3 367.896 2.804 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000743359147 999813876 /nfs/dbraw/zinc/81/38/76/999813876.db2.gz SBNHRGPPXZTYCY-SFHVURJKSA-N 1 3 373.545 2.680 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000743359147 999813878 /nfs/dbraw/zinc/81/38/78/999813878.db2.gz SBNHRGPPXZTYCY-SFHVURJKSA-N 1 3 373.545 2.680 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC001086371105 999875825 /nfs/dbraw/zinc/87/58/25/999875825.db2.gz QJPCXGZHYIFRFA-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC001086371105 999875827 /nfs/dbraw/zinc/87/58/27/999875827.db2.gz QJPCXGZHYIFRFA-BQGCOEIASA-N 1 3 367.896 2.804 20 0 FFADHO CCN([C@@H]1CCOC1)C1CC[NH+](C2CCC(C)(C(=O)OC)CC2)CC1 ZINC001168788176 999992237 /nfs/dbraw/zinc/99/22/37/999992237.db2.gz QUDIVEZJCCZMCB-KGXSXCIVSA-N 1 3 352.519 2.684 20 0 FFADHO CC1(C)C[C@H](Nc2cncc(OCCN3CCCC3)n2)C[C@](C)(C[NH3+])C1 ZINC001169146616 1000027332 /nfs/dbraw/zinc/02/73/32/1000027332.db2.gz WFLOYKAXAZVJGB-JXFKEZNVSA-N 1 3 361.534 2.907 20 0 FFADHO CCC[NH+]1CCC(Nc2ccc(OCCCN3CCN(C)CC3)cc2)CC1 ZINC000846050854 1000197251 /nfs/dbraw/zinc/19/72/51/1000197251.db2.gz VEFPSLMIDKTNJU-UHFFFAOYSA-N 1 3 374.573 2.989 20 0 FFADHO CN1CC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4C(=O)c3ccccc3)C[C@@H]2C1 ZINC001171267138 1000582819 /nfs/dbraw/zinc/58/28/19/1000582819.db2.gz UNXJJEBVPGTTMC-DQKSBWHRSA-N 1 3 353.510 2.706 20 0 FFADHO CN1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4C(=O)c3ccccc3)C[C@@H]2C1 ZINC001171267138 1000582825 /nfs/dbraw/zinc/58/28/25/1000582825.db2.gz UNXJJEBVPGTTMC-DQKSBWHRSA-N 1 3 353.510 2.706 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC[C@@H]2CCCC2(F)F)CC1 ZINC001109651256 1000783136 /nfs/dbraw/zinc/78/31/36/1000783136.db2.gz QYHJTQLMLCBNHT-YVSFHVDLSA-N 1 3 369.500 2.875 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091667792 1000997029 /nfs/dbraw/zinc/99/70/29/1000997029.db2.gz ZPVFXQWWXSCFTD-INMHGKMJSA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091667792 1000997032 /nfs/dbraw/zinc/99/70/32/1000997032.db2.gz ZPVFXQWWXSCFTD-INMHGKMJSA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(C)C1)[NH+](C)C ZINC001091758889 1001229826 /nfs/dbraw/zinc/22/98/26/1001229826.db2.gz PLKWDUZSKGMACR-LMNJBCLMSA-N 1 3 361.505 2.692 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754446 1001232167 /nfs/dbraw/zinc/23/21/67/1001232167.db2.gz PUJSLEXCTAJPGO-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754446 1001232173 /nfs/dbraw/zinc/23/21/73/1001232173.db2.gz PUJSLEXCTAJPGO-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)c1 ZINC001091754278 1001232207 /nfs/dbraw/zinc/23/22/07/1001232207.db2.gz MOZBQHLVQXVJPS-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)c1 ZINC001091754278 1001232211 /nfs/dbraw/zinc/23/22/11/1001232211.db2.gz MOZBQHLVQXVJPS-SJBKTWHCSA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1N(C)C ZINC001110013317 1001301301 /nfs/dbraw/zinc/30/13/01/1001301301.db2.gz CRHRJCBWMMCHSR-DYXWJJEUSA-N 1 3 372.557 2.706 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1N(C)C ZINC001110013317 1001301305 /nfs/dbraw/zinc/30/13/05/1001301305.db2.gz CRHRJCBWMMCHSR-DYXWJJEUSA-N 1 3 372.557 2.706 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc(C)ns2)C1 ZINC001112567818 1001499002 /nfs/dbraw/zinc/49/90/02/1001499002.db2.gz KBJFBUQUMRRSPW-LPHOPBHVSA-N 1 3 364.559 2.512 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCOC)C1 ZINC001112585656 1001536083 /nfs/dbraw/zinc/53/60/83/1001536083.db2.gz KLOBAJGQYAWGEY-ZVDOUQERSA-N 1 3 365.562 2.506 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1 ZINC001112585631 1001536329 /nfs/dbraw/zinc/53/63/29/1001536329.db2.gz JGKXZQFMANHIND-OOGSMYHHSA-N 1 3 353.938 2.832 20 0 FFADHO C[C@@]12CN(Cc3cccc(F)c3)C[C@@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001091819292 1001959334 /nfs/dbraw/zinc/95/93/34/1001959334.db2.gz UQSRLWZSUHBQEI-NQIIRXRSSA-N 1 3 371.500 2.734 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1)N(C)C ZINC001183360878 1002239915 /nfs/dbraw/zinc/23/99/15/1002239915.db2.gz UVSBSIGGAURCQR-HXUWFJFHSA-N 1 3 372.557 2.871 20 0 FFADHO CC(C)[C@H](C(=O)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1)N(C)C ZINC001183360878 1002239924 /nfs/dbraw/zinc/23/99/24/1002239924.db2.gz UVSBSIGGAURCQR-HXUWFJFHSA-N 1 3 372.557 2.871 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092012974 1002285845 /nfs/dbraw/zinc/28/58/45/1002285845.db2.gz FMDXKJVWPVRQGV-ZEYPLWLESA-N 1 3 369.553 2.871 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)cc1 ZINC001092012974 1002285853 /nfs/dbraw/zinc/28/58/53/1002285853.db2.gz FMDXKJVWPVRQGV-ZEYPLWLESA-N 1 3 369.553 2.871 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001092052029 1002324969 /nfs/dbraw/zinc/32/49/69/1002324969.db2.gz ATGNFQVXGHPMTP-UTKZUKDTSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CC1CCC(C)(C)CC1)C2 ZINC001092052029 1002324980 /nfs/dbraw/zinc/32/49/80/1002324980.db2.gz ATGNFQVXGHPMTP-UTKZUKDTSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000796693673 1002407698 /nfs/dbraw/zinc/40/76/98/1002407698.db2.gz IFPYSJBQTKBMKE-ZJPYXAASSA-N 1 3 369.550 2.626 20 0 FFADHO CC(C)(C)OC(=O)NC1CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000827011487 1016622907 /nfs/dbraw/zinc/62/29/07/1016622907.db2.gz JRSLKQVMXWMKNM-UHFFFAOYSA-N 1 3 374.529 2.939 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N1CCN(CC2CCCCC2)CC1 ZINC001196651416 1003901825 /nfs/dbraw/zinc/90/18/25/1003901825.db2.gz SKBIXZFZGPGPNS-UHFFFAOYSA-N 1 3 354.608 2.791 20 0 FFADHO CCOC(=O)C1=C(Nc2cccc3c2C2(C=C3)CC[NH2+]CC2)CCNC1 ZINC001170516255 1004488435 /nfs/dbraw/zinc/48/84/35/1004488435.db2.gz SDWWDPGVMUSZJY-UHFFFAOYSA-N 1 3 353.466 2.557 20 0 FFADHO C[N@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@H]1CCN2CCO[C@H]1C2 ZINC001170527640 1004635552 /nfs/dbraw/zinc/63/55/52/1004635552.db2.gz NIDCNKASICBTHX-GOTSBHOMSA-N 1 3 371.569 2.736 20 0 FFADHO C[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)[C@H]1CCN2CCO[C@H]1C2 ZINC001170527640 1004635557 /nfs/dbraw/zinc/63/55/57/1004635557.db2.gz NIDCNKASICBTHX-GOTSBHOMSA-N 1 3 371.569 2.736 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000775930511 1004829029 /nfs/dbraw/zinc/82/90/29/1004829029.db2.gz SQDCDDPZRLILRR-IBGZPJMESA-N 1 3 359.514 2.528 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCCO2)C1)N1CCCCC1 ZINC001488911332 1005376077 /nfs/dbraw/zinc/37/60/77/1005376077.db2.gz DHIHPUUYJIWJMM-IPMKNSEASA-N 1 3 365.562 2.695 20 0 FFADHO CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC001489023033 1005396475 /nfs/dbraw/zinc/39/64/75/1005396475.db2.gz UYGGCZNFRPUKGE-DFQSSKMNSA-N 1 3 361.530 2.541 20 0 FFADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433963 1005815322 /nfs/dbraw/zinc/81/53/22/1005815322.db2.gz SCNLAVGZVNKBCB-PBHICJAKSA-N 1 3 369.431 2.954 20 0 FFADHO C[N@H+]1CCC[C@H](CN[C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433963 1005815323 /nfs/dbraw/zinc/81/53/23/1005815323.db2.gz SCNLAVGZVNKBCB-PBHICJAKSA-N 1 3 369.431 2.954 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC001116240203 1032210576 /nfs/dbraw/zinc/21/05/76/1032210576.db2.gz ZFAKSHVGPZQPGI-UYAOXDASSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)cc1 ZINC001116240203 1032210581 /nfs/dbraw/zinc/21/05/81/1032210581.db2.gz ZFAKSHVGPZQPGI-UYAOXDASSA-N 1 3 370.541 2.838 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1nc2ccccc2s1 ZINC000855345645 1007294467 /nfs/dbraw/zinc/29/44/67/1007294467.db2.gz DVEVGLTYFXKOHD-WOLCWHLNSA-N 1 3 360.527 2.698 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1nc2ccccc2s1 ZINC000855345645 1007294475 /nfs/dbraw/zinc/29/44/75/1007294475.db2.gz DVEVGLTYFXKOHD-WOLCWHLNSA-N 1 3 360.527 2.698 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001190248025 1007541188 /nfs/dbraw/zinc/54/11/88/1007541188.db2.gz WQJJBVRNRAPGEO-OWWXFVBASA-N 1 3 355.526 2.963 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)C/C=C/c3ccccc3)C2)CC[N@H+]1C ZINC001190248025 1007541202 /nfs/dbraw/zinc/54/12/02/1007541202.db2.gz WQJJBVRNRAPGEO-OWWXFVBASA-N 1 3 355.526 2.963 20 0 FFADHO CC(C)n1ccc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001170861748 1007542379 /nfs/dbraw/zinc/54/23/79/1007542379.db2.gz HGNVUVREKSXLDU-ZHALLVOQSA-N 1 3 363.550 2.569 20 0 FFADHO CC(C)n1ccc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001170861748 1007542387 /nfs/dbraw/zinc/54/23/87/1007542387.db2.gz HGNVUVREKSXLDU-ZHALLVOQSA-N 1 3 363.550 2.569 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)cs1 ZINC001190324302 1007583522 /nfs/dbraw/zinc/58/35/22/1007583522.db2.gz JZEGLTYRDXQLPG-RBUKOAKNSA-N 1 3 361.555 2.965 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCNC(=O)/C=C\c1ccccc1 ZINC000817929392 1007798866 /nfs/dbraw/zinc/79/88/66/1007798866.db2.gz GUPSNJQIVVRGGX-RZACSHPESA-N 1 3 351.494 2.754 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCNC(=O)/C=C\c1ccccc1 ZINC000817929397 1007800127 /nfs/dbraw/zinc/80/01/27/1007800127.db2.gz GUPSNJQIVVRGGX-YOUNJQJMSA-N 1 3 351.494 2.754 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3N)cc2)C1=O ZINC000817929078 1007806715 /nfs/dbraw/zinc/80/67/15/1007806715.db2.gz IUNNWDTXNWVIDQ-BBTUJRGHSA-N 1 3 370.497 2.661 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCC[NH2+]C1 ZINC000817983463 1007838072 /nfs/dbraw/zinc/83/80/72/1007838072.db2.gz DWFJJEQVXFBDGG-IRXDYDNUSA-N 1 3 357.498 2.963 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CC[N@H+](CCCn3ccnc3C)C2)ccn1 ZINC000856585927 1007898126 /nfs/dbraw/zinc/89/81/26/1007898126.db2.gz NNDZGPFQHCBROX-HXUWFJFHSA-N 1 3 357.502 2.582 20 0 FFADHO CCN(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCn3ccnc3C)C2)ccn1 ZINC000856585927 1007898135 /nfs/dbraw/zinc/89/81/35/1007898135.db2.gz NNDZGPFQHCBROX-HXUWFJFHSA-N 1 3 357.502 2.582 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490980 1008368893 /nfs/dbraw/zinc/36/88/93/1008368893.db2.gz UPQBPFNMRFOCOZ-XWTMOSNGSA-N 1 3 369.550 2.626 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001110754023 1008399750 /nfs/dbraw/zinc/39/97/50/1008399750.db2.gz FTTQDSZNZATTEI-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001110754023 1008399754 /nfs/dbraw/zinc/39/97/54/1008399754.db2.gz FTTQDSZNZATTEI-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001110754023 1008399758 /nfs/dbraw/zinc/39/97/58/1008399758.db2.gz FTTQDSZNZATTEI-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001110754023 1008399761 /nfs/dbraw/zinc/39/97/61/1008399761.db2.gz FTTQDSZNZATTEI-YRXWBPOGSA-N 1 3 353.526 2.968 20 0 FFADHO CCCN1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1=O ZINC000886628651 1008781275 /nfs/dbraw/zinc/78/12/75/1008781275.db2.gz YCVYQVHCJQJITL-TUFLPTIASA-N 1 3 355.526 2.888 20 0 FFADHO CCCN(C(=O)CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000823499228 1009094664 /nfs/dbraw/zinc/09/46/64/1009094664.db2.gz GPPGZCHVYGKTPX-IBGZPJMESA-N 1 3 361.530 2.502 20 0 FFADHO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCC(C)(N3CCOCC3)CC2)cn1 ZINC001206697567 1032393571 /nfs/dbraw/zinc/39/35/71/1032393571.db2.gz YGOBBIBUVDQZCN-OSIBBQKWSA-N 1 3 360.546 2.754 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)[C@H]2C1 ZINC001179817241 1009462629 /nfs/dbraw/zinc/46/26/29/1009462629.db2.gz PCDAQOLUSJLQSC-IHPCNDPISA-N 1 3 357.498 2.717 20 0 FFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)[C@@H]2C1 ZINC001274173217 1009561576 /nfs/dbraw/zinc/56/15/76/1009561576.db2.gz SMHWBWHBLWXKTG-YQVWRLOYSA-N 1 3 361.917 2.715 20 0 FFADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)[C@@H]2C1 ZINC001274173217 1009561582 /nfs/dbraw/zinc/56/15/82/1009561582.db2.gz SMHWBWHBLWXKTG-YQVWRLOYSA-N 1 3 361.917 2.715 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCCC1 ZINC001180583357 1009759965 /nfs/dbraw/zinc/75/99/65/1009759965.db2.gz PGXGGGFDAHYLHV-HMXCVIKNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCCC1 ZINC001180583357 1009759979 /nfs/dbraw/zinc/75/99/79/1009759979.db2.gz PGXGGGFDAHYLHV-HMXCVIKNSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862343520 1009798019 /nfs/dbraw/zinc/79/80/19/1009798019.db2.gz QWPKNBFWHVANJX-SJORKVTESA-N 1 3 369.550 2.722 20 0 FFADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862343520 1009798032 /nfs/dbraw/zinc/79/80/32/1009798032.db2.gz QWPKNBFWHVANJX-SJORKVTESA-N 1 3 369.550 2.722 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001094042129 1010803957 /nfs/dbraw/zinc/80/39/57/1010803957.db2.gz KILWKFGULAPKPL-SZVBFZGTSA-N 1 3 361.505 2.660 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCC4(CC4)CC3)[C@H](C)C2)C1 ZINC001094042257 1010805313 /nfs/dbraw/zinc/80/53/13/1010805313.db2.gz PMGOUUJSPFINDU-NLWGTHIKSA-N 1 3 361.574 2.983 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC001094074509 1010833113 /nfs/dbraw/zinc/83/31/13/1010833113.db2.gz DMSRRMMMFSSTKH-VXGBXAGGSA-N 1 3 352.891 2.551 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001094075183 1010834875 /nfs/dbraw/zinc/83/48/75/1010834875.db2.gz ZJZFSTNDVKFNKF-DNVCBOLYSA-N 1 3 352.482 2.714 20 0 FFADHO CN1CC[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000868447807 1011307707 /nfs/dbraw/zinc/30/77/07/1011307707.db2.gz WCOXFGXSGPILMO-KYBDOYODSA-N 1 3 358.530 2.994 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3C3CCC3)CC2)CC1 ZINC000645229014 1011393011 /nfs/dbraw/zinc/39/30/11/1011393011.db2.gz FHRCPBKHQIXWMJ-FQEVSTJZSA-N 1 3 362.562 2.909 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645361598 1011452856 /nfs/dbraw/zinc/45/28/56/1011452856.db2.gz RZNIYSUKFVGNAG-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645361598 1011452866 /nfs/dbraw/zinc/45/28/66/1011452866.db2.gz RZNIYSUKFVGNAG-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCC(C)(N3CCOCC3)CC2)CN1Cc1ccccc1 ZINC001171758714 1011455362 /nfs/dbraw/zinc/45/53/62/1011455362.db2.gz AJXGHCYBLHPIPM-TZIWHRDSSA-N 1 3 357.542 2.836 20 0 FFADHO CC1(C)C[C@@H](NCCNC(=O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171965949 1011540607 /nfs/dbraw/zinc/54/06/07/1011540607.db2.gz KKAKUIWIEPHIAK-FQEVSTJZSA-N 1 3 366.509 2.844 20 0 FFADHO CC1(C)C[C@@H](NCCNC(=O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171965949 1011540623 /nfs/dbraw/zinc/54/06/23/1011540623.db2.gz KKAKUIWIEPHIAK-FQEVSTJZSA-N 1 3 366.509 2.844 20 0 FFADHO CCOC(=O)C1(C)CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001171944603 1011551027 /nfs/dbraw/zinc/55/10/27/1011551027.db2.gz URLIQQAXTCWHQZ-UHFFFAOYSA-N 1 3 366.546 2.979 20 0 FFADHO COCCOCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972095 1011570728 /nfs/dbraw/zinc/57/07/28/1011570728.db2.gz NWDOZEVMWWNESP-HXUWFJFHSA-N 1 3 364.530 2.699 20 0 FFADHO COCCOCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171972095 1011570738 /nfs/dbraw/zinc/57/07/38/1011570738.db2.gz NWDOZEVMWWNESP-HXUWFJFHSA-N 1 3 364.530 2.699 20 0 FFADHO C[C@]1(CO)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1O ZINC001172069249 1011627531 /nfs/dbraw/zinc/62/75/31/1011627531.db2.gz OJCXCVOYHMUTIL-LILSUDLASA-N 1 3 358.526 2.637 20 0 FFADHO C[C@]1(CO)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1O ZINC001172069249 1011627539 /nfs/dbraw/zinc/62/75/39/1011627539.db2.gz OJCXCVOYHMUTIL-LILSUDLASA-N 1 3 358.526 2.637 20 0 FFADHO COC(=O)c1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172127379 1011630382 /nfs/dbraw/zinc/63/03/82/1011630382.db2.gz IWJNIEABWFQKBX-BCDXTJNWSA-N 1 3 357.498 2.611 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]31)C2 ZINC001172116007 1011647373 /nfs/dbraw/zinc/64/73/73/1011647373.db2.gz JLWPXUICBMMVFR-LUDAKILFSA-N 1 3 371.525 2.845 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]31)C2 ZINC001172116007 1011647380 /nfs/dbraw/zinc/64/73/80/1011647380.db2.gz JLWPXUICBMMVFR-LUDAKILFSA-N 1 3 371.525 2.845 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001172117823 1011652912 /nfs/dbraw/zinc/65/29/12/1011652912.db2.gz NJVCNXRMNARYLK-NXOAAHMSSA-N 1 3 369.575 2.944 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CSCCN1C(=O)OC(C)(C)C)C2 ZINC001172117823 1011652920 /nfs/dbraw/zinc/65/29/20/1011652920.db2.gz NJVCNXRMNARYLK-NXOAAHMSSA-N 1 3 369.575 2.944 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000646074494 1011726344 /nfs/dbraw/zinc/72/63/44/1011726344.db2.gz ZNAWKELZONZIJT-GOTSBHOMSA-N 1 3 373.585 2.861 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000646074494 1011726360 /nfs/dbraw/zinc/72/63/60/1011726360.db2.gz ZNAWKELZONZIJT-GOTSBHOMSA-N 1 3 373.585 2.861 20 0 FFADHO Cc1ccc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)c(F)c1 ZINC001275047622 1011856710 /nfs/dbraw/zinc/85/67/10/1011856710.db2.gz LVHIAENPTMFJLK-OAQYLSRUSA-N 1 3 361.505 2.900 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000646337325 1011861825 /nfs/dbraw/zinc/86/18/25/1011861825.db2.gz ZAOPZBVXSGOGRC-QMMLZNLJSA-N 1 3 355.526 2.540 20 0 FFADHO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000869768120 1011927163 /nfs/dbraw/zinc/92/71/63/1011927163.db2.gz ZSPXRFGPUPZIEO-UHFFFAOYSA-N 1 3 373.541 2.713 20 0 FFADHO COC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC001172732820 1011967831 /nfs/dbraw/zinc/96/78/31/1011967831.db2.gz YKINHAKAJTWDQD-MISYRCLQSA-N 1 3 357.498 2.717 20 0 FFADHO COc1ccccc1[C@@H](N)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000646603600 1012064376 /nfs/dbraw/zinc/06/43/76/1012064376.db2.gz PYKQJIZDYGJMQK-FQEVSTJZSA-N 1 3 367.493 2.723 20 0 FFADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172886953 1012087560 /nfs/dbraw/zinc/08/75/60/1012087560.db2.gz UWNPZZNHPRAMJG-KRWDZBQOSA-N 1 3 353.551 2.647 20 0 FFADHO CC(C)(C)OC(=O)CN1CCC(n2cc(CC[NH3+])c3cnccc32)CC1 ZINC001172887559 1012087763 /nfs/dbraw/zinc/08/77/63/1012087763.db2.gz PSDNXCUSIQSBKI-UHFFFAOYSA-N 1 3 358.486 2.516 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646927539 1012281025 /nfs/dbraw/zinc/28/10/25/1012281025.db2.gz MWRADKLWPLZUAV-GGPKGHCWSA-N 1 3 371.525 2.716 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646927539 1012281039 /nfs/dbraw/zinc/28/10/39/1012281039.db2.gz MWRADKLWPLZUAV-GGPKGHCWSA-N 1 3 371.525 2.716 20 0 FFADHO COc1cccc2c1C[C@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CO2 ZINC001173149181 1012295361 /nfs/dbraw/zinc/29/53/61/1012295361.db2.gz AHZBUDBBKRSGTP-IBGZPJMESA-N 1 3 367.493 2.896 20 0 FFADHO COc1ccc2c(c1)C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)CO2 ZINC000647344349 1012445754 /nfs/dbraw/zinc/44/57/54/1012445754.db2.gz ORNTYXFRUSRRTJ-SBHAEUEKSA-N 1 3 352.478 2.934 20 0 FFADHO COc1ccc2c(c1)C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CO2 ZINC000647344349 1012445764 /nfs/dbraw/zinc/44/57/64/1012445764.db2.gz ORNTYXFRUSRRTJ-SBHAEUEKSA-N 1 3 352.478 2.934 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647351251 1012447766 /nfs/dbraw/zinc/44/77/66/1012447766.db2.gz RNYIPKMTDFNUMV-JLJPHGGASA-N 1 3 371.447 2.682 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647351251 1012447778 /nfs/dbraw/zinc/44/77/78/1012447778.db2.gz RNYIPKMTDFNUMV-JLJPHGGASA-N 1 3 371.447 2.682 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000647509976 1012520824 /nfs/dbraw/zinc/52/08/24/1012520824.db2.gz RRKXODQQZOGWDQ-DOTOQJQBSA-N 1 3 372.538 2.816 20 0 FFADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCN1CC[NH2+]CC1 ZINC000647834926 1012606296 /nfs/dbraw/zinc/60/62/96/1012606296.db2.gz FRUSCRWFZDEAMN-GOSISDBHSA-N 1 3 366.509 2.837 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)c1cccc(OC)c1 ZINC000870860238 1012610408 /nfs/dbraw/zinc/61/04/08/1012610408.db2.gz IOTSBUXPENQVCO-BSLVTKGXSA-N 1 3 359.514 2.727 20 0 FFADHO C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(CCc1cccc(Cl)c1)CC2 ZINC001275557385 1012612903 /nfs/dbraw/zinc/61/29/03/1012612903.db2.gz FIECNZXZSCZBEK-SFHVURJKSA-N 1 3 363.933 2.662 20 0 FFADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976364 1012651591 /nfs/dbraw/zinc/65/15/91/1012651591.db2.gz NMXHMTIDELYCAH-RTBURBONSA-N 1 3 361.505 2.886 20 0 FFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCC1(c2ccccc2)CC1 ZINC000647976169 1012654160 /nfs/dbraw/zinc/65/41/60/1012654160.db2.gz LCTFYMSTUJJHML-RTBURBONSA-N 1 3 355.526 2.546 20 0 FFADHO c1cc2n(n1)C[C@@H](C[NH2+]C[C@H]1CCCCN(Cc3ccccc3)C1)CN2 ZINC000648037135 1012674312 /nfs/dbraw/zinc/67/43/12/1012674312.db2.gz GVSFQVZCYCQBBN-UXHICEINSA-N 1 3 353.514 2.817 20 0 FFADHO CCC[NH+](CCC)CCN1CCN([C@H]2CC[C@@H](CC(=O)OCC)C2)CC1 ZINC001173659717 1012847243 /nfs/dbraw/zinc/84/72/43/1012847243.db2.gz YKQUTTFOHANZRG-UXHICEINSA-N 1 3 367.578 2.848 20 0 FFADHO NC1(c2ccccc2Cl)CC[NH+]([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173746657 1012937305 /nfs/dbraw/zinc/93/73/05/1012937305.db2.gz QSEPZHPCFIIKMD-HUUCEWRRSA-N 1 3 360.893 2.760 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cc2)CC1 ZINC000924721975 1017447674 /nfs/dbraw/zinc/44/76/74/1017447674.db2.gz JHXGRFLSOJMFFR-QFIPXVFZSA-N 1 3 357.542 2.729 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCCN[C@@H]4C3(C)C)C2)c1 ZINC000925552109 1017783302 /nfs/dbraw/zinc/78/33/02/1017783302.db2.gz IYYMPZJAYWKMEA-HUJKARHJSA-N 1 3 373.541 2.896 20 0 FFADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925570835 1017789986 /nfs/dbraw/zinc/78/99/86/1017789986.db2.gz GOAFUWYVSLXUKO-ZWKOTPCHSA-N 1 3 357.498 2.560 20 0 FFADHO CCn1nc(C)c([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)c1C ZINC000925807653 1017854963 /nfs/dbraw/zinc/85/49/63/1017854963.db2.gz GQBOBQAEPFDNGT-MRXNPFEDSA-N 1 3 355.530 2.776 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680269536 1017888623 /nfs/dbraw/zinc/88/86/23/1017888623.db2.gz LNYUNFVKJTXVEU-MHTWAQMVSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680269536 1017888644 /nfs/dbraw/zinc/88/86/44/1017888644.db2.gz LNYUNFVKJTXVEU-MHTWAQMVSA-N 1 3 357.542 2.990 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000925938138 1017912830 /nfs/dbraw/zinc/91/28/30/1017912830.db2.gz LWQFTYRDBHLTPA-QWHCGFSZSA-N 1 3 374.407 2.500 20 0 FFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)c1 ZINC001097775584 1017915376 /nfs/dbraw/zinc/91/53/76/1017915376.db2.gz MVJRVYCNMAFCTF-NJYVYQBISA-N 1 3 355.526 2.867 20 0 FFADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000926136207 1017980746 /nfs/dbraw/zinc/98/07/46/1017980746.db2.gz HTZFGXWOFMMWMI-BVJIBDCISA-N 1 3 355.526 2.934 20 0 FFADHO C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000926136646 1017981408 /nfs/dbraw/zinc/98/14/08/1017981408.db2.gz LLAKNZCIKIQVDJ-LAUBAEHRSA-N 1 3 366.509 2.985 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000926177577 1018008413 /nfs/dbraw/zinc/00/84/13/1018008413.db2.gz GSWDPDURTJQDRI-SCCNAQOGSA-N 1 3 372.513 2.876 20 0 FFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853081 1018028482 /nfs/dbraw/zinc/02/84/82/1018028482.db2.gz IQYQUXOBBGNSNL-WWNBULGVSA-N 1 3 353.526 2.967 20 0 FFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853081 1018028497 /nfs/dbraw/zinc/02/84/97/1018028497.db2.gz IQYQUXOBBGNSNL-WWNBULGVSA-N 1 3 353.526 2.967 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)CC[N@@H+]1C ZINC001041296944 1018771204 /nfs/dbraw/zinc/77/12/04/1018771204.db2.gz LLDIHFHZIPJMMW-OZOXKJRCSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)CC[N@H+]1C ZINC001041296944 1018771209 /nfs/dbraw/zinc/77/12/09/1018771209.db2.gz LLDIHFHZIPJMMW-OZOXKJRCSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cncnc1)CC2 ZINC001137665813 1032803881 /nfs/dbraw/zinc/80/38/81/1032803881.db2.gz DMQUUWMJPQZYJB-FQEVSTJZSA-N 1 3 352.482 2.732 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cncnc1)CC2 ZINC001137665813 1032803891 /nfs/dbraw/zinc/80/38/91/1032803891.db2.gz DMQUUWMJPQZYJB-FQEVSTJZSA-N 1 3 352.482 2.732 20 0 FFADHO N[C@@H](c1ccccc1)[C@@H](O)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217727888 1032851132 /nfs/dbraw/zinc/85/11/32/1032851132.db2.gz APGNKZRAXYKDTH-CEXWTWQISA-N 1 3 364.449 2.793 20 0 FFADHO N[C@@H](c1ccccc1)[C@@H](O)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217727888 1032851145 /nfs/dbraw/zinc/85/11/45/1032851145.db2.gz APGNKZRAXYKDTH-CEXWTWQISA-N 1 3 364.449 2.793 20 0 FFADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000902350592 1020120655 /nfs/dbraw/zinc/12/06/55/1020120655.db2.gz UJEGBUIOVOEQQW-MAUKXSAKSA-N 1 3 359.514 2.773 20 0 FFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@H]2CC[C@@H]3[NH2+]CCO[C@H]32)O1 ZINC001217816905 1032877624 /nfs/dbraw/zinc/87/76/24/1032877624.db2.gz RMWNITLLJGBUMC-ITTUMRLJSA-N 1 3 374.525 2.592 20 0 FFADHO CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CCN(CCc2ccccn2)CC1 ZINC000900466112 1020432680 /nfs/dbraw/zinc/43/26/80/1020432680.db2.gz WVLLFGHGZHBCCP-RTWAWAEBSA-N 1 3 370.541 2.564 20 0 FFADHO CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CCN(CCc2ccccn2)CC1 ZINC000900466112 1020432687 /nfs/dbraw/zinc/43/26/87/1020432687.db2.gz WVLLFGHGZHBCCP-RTWAWAEBSA-N 1 3 370.541 2.564 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(OC)cc3)C2)CC[N@@H+]1C ZINC001046330874 1020594989 /nfs/dbraw/zinc/59/49/89/1020594989.db2.gz VMWNYPYSLAWNJV-QKNQBKEWSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(OC)cc3)C2)CC[N@H+]1C ZINC001046330874 1020594996 /nfs/dbraw/zinc/59/49/96/1020594996.db2.gz VMWNYPYSLAWNJV-QKNQBKEWSA-N 1 3 359.514 2.506 20 0 FFADHO CN1CCN([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2cccs2)CC1 ZINC000903056629 1020655186 /nfs/dbraw/zinc/65/51/86/1020655186.db2.gz WWOOCLFAHVRDFB-ZNBHLAFESA-N 1 3 374.598 2.784 20 0 FFADHO CN1CCN([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2cccs2)CC1 ZINC000903056629 1020655189 /nfs/dbraw/zinc/65/51/89/1020655189.db2.gz WWOOCLFAHVRDFB-ZNBHLAFESA-N 1 3 374.598 2.784 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c1 ZINC001098217711 1020739420 /nfs/dbraw/zinc/73/94/20/1020739420.db2.gz HABNYIXIGFSPGN-BQJUDKOJSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1 ZINC001098217711 1020739426 /nfs/dbraw/zinc/73/94/26/1020739426.db2.gz HABNYIXIGFSPGN-BQJUDKOJSA-N 1 3 355.526 2.812 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCc1cccc(F)c1)C12CC[NH+](CC1)C2 ZINC001098223671 1020745446 /nfs/dbraw/zinc/74/54/46/1020745446.db2.gz WGQYDGILDKPPGM-AQNXPRMDSA-N 1 3 371.500 2.576 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001098845381 1021230175 /nfs/dbraw/zinc/23/01/75/1021230175.db2.gz VLROXWKGFFZDHC-BUBGKSFDSA-N 1 3 373.516 2.945 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098845381 1021230190 /nfs/dbraw/zinc/23/01/90/1021230190.db2.gz VLROXWKGFFZDHC-BUBGKSFDSA-N 1 3 373.516 2.945 20 0 FFADHO CC(C)N1CCN(c2ccc(-c3cnn(CC[NH+]4CCCC4)c3)cn2)CC1 ZINC001222470176 1032992439 /nfs/dbraw/zinc/99/24/39/1032992439.db2.gz JYYDSUHDLPESRH-UHFFFAOYSA-N 1 3 368.529 2.571 20 0 FFADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)CC1 ZINC001222520961 1033025459 /nfs/dbraw/zinc/02/54/59/1033025459.db2.gz LYJVTDNQJKSMFR-KNQAVFIVSA-N 1 3 357.542 2.871 20 0 FFADHO CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)CC1 ZINC001222520961 1033025470 /nfs/dbraw/zinc/02/54/70/1033025470.db2.gz LYJVTDNQJKSMFR-KNQAVFIVSA-N 1 3 357.542 2.871 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001017132485 1022165685 /nfs/dbraw/zinc/16/56/85/1022165685.db2.gz JHWQQAPLZSVFNV-ZHALLVOQSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)Cc3ccccc3F)C2)CC[N@H+]1C ZINC001017132485 1022165688 /nfs/dbraw/zinc/16/56/88/1022165688.db2.gz JHWQQAPLZSVFNV-ZHALLVOQSA-N 1 3 361.505 2.836 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnc(C)s2)C1)N(C)C ZINC001099496680 1022630889 /nfs/dbraw/zinc/63/08/89/1022630889.db2.gz KZWLSUQWBLCVIK-IEZWGBDMSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cc(C)ns2)C1)N(C)C ZINC001099496638 1022631858 /nfs/dbraw/zinc/63/18/58/1022631858.db2.gz JJCOJUWBWMGFPX-IEZWGBDMSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)cs1 ZINC001099507049 1022648442 /nfs/dbraw/zinc/64/84/42/1022648442.db2.gz ZRCMXBKJJZUWRO-LPHOPBHVSA-N 1 3 358.511 2.741 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccn2)C1 ZINC001099540283 1022713355 /nfs/dbraw/zinc/71/33/55/1022713355.db2.gz WJOCUDZILRKBCC-VCOUNFBDSA-N 1 3 370.541 2.674 20 0 FFADHO Cc1cccnc1CN1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948386352 1023246936 /nfs/dbraw/zinc/24/69/36/1023246936.db2.gz UXYCHTGRFXIXAY-CEXWTWQISA-N 1 3 358.530 2.543 20 0 FFADHO Cc1cccnc1CN1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948386352 1023246943 /nfs/dbraw/zinc/24/69/43/1023246943.db2.gz UXYCHTGRFXIXAY-CEXWTWQISA-N 1 3 358.530 2.543 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000753099926 1023268308 /nfs/dbraw/zinc/26/83/08/1023268308.db2.gz XLMMFGHWEOLSBK-SLFFLAALSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000753099926 1023268313 /nfs/dbraw/zinc/26/83/13/1023268313.db2.gz XLMMFGHWEOLSBK-SLFFLAALSA-N 1 3 355.526 2.888 20 0 FFADHO [NH3+]C[C@H]1CCCC12CCN(C(=O)[C@@H]1CCCN(Cc3cccnc3)C1)CC2 ZINC001122557090 1023337670 /nfs/dbraw/zinc/33/76/70/1023337670.db2.gz WCUWGYQUXNZWRO-WOJBJXKFSA-N 1 3 370.541 2.661 20 0 FFADHO C[C@H]1C[C@H](CCNC(=S)NC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000753670062 1023366429 /nfs/dbraw/zinc/36/64/29/1023366429.db2.gz ASVYKMZYAOZTIY-HKUYNNGSSA-N 1 3 374.598 2.845 20 0 FFADHO C[C@H]1C[C@H](CCNC(=S)NC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000753670062 1023366436 /nfs/dbraw/zinc/36/64/36/1023366436.db2.gz ASVYKMZYAOZTIY-HKUYNNGSSA-N 1 3 374.598 2.845 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)C3(C4CC[NH2+]CC4)CC3)c2)CC1 ZINC001121966101 1024213129 /nfs/dbraw/zinc/21/31/29/1024213129.db2.gz UPPZTDULXBJVJV-UHFFFAOYSA-N 1 3 370.541 2.935 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001101257964 1024224289 /nfs/dbraw/zinc/22/42/89/1024224289.db2.gz VRYVPIUYVWFSAS-LMMKCTJWSA-N 1 3 367.534 2.708 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001101257964 1024224305 /nfs/dbraw/zinc/22/43/05/1024224305.db2.gz VRYVPIUYVWFSAS-LMMKCTJWSA-N 1 3 367.534 2.708 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313621 1024430843 /nfs/dbraw/zinc/43/08/43/1024430843.db2.gz GUKQHDFRJGRTIP-AOIWGVFYSA-N 1 3 353.526 2.779 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368798 1024561483 /nfs/dbraw/zinc/56/14/83/1024561483.db2.gz NTNGWJGHXKQRRX-XLIONFOSSA-N 1 3 355.542 2.884 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368798 1024561487 /nfs/dbraw/zinc/56/14/87/1024561487.db2.gz NTNGWJGHXKQRRX-XLIONFOSSA-N 1 3 355.542 2.884 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001101438481 1024743644 /nfs/dbraw/zinc/74/36/44/1024743644.db2.gz ARRCJOFIHABYGZ-ZVJGUSEUSA-N 1 3 355.526 2.822 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@]2(C)C1 ZINC001101438481 1024743651 /nfs/dbraw/zinc/74/36/51/1024743651.db2.gz ARRCJOFIHABYGZ-ZVJGUSEUSA-N 1 3 355.526 2.822 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCc3ccccc3CC)C[C@@]2(C)C1 ZINC001101443592 1024759615 /nfs/dbraw/zinc/75/96/15/1024759615.db2.gz LMLJNFLMIXJZKU-GGAORHGYSA-N 1 3 371.569 2.914 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3CC)C[C@@]2(C)C1 ZINC001101443592 1024759627 /nfs/dbraw/zinc/75/96/27/1024759627.db2.gz LMLJNFLMIXJZKU-GGAORHGYSA-N 1 3 371.569 2.914 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101478457 1024848284 /nfs/dbraw/zinc/84/82/84/1024848284.db2.gz OUMATANTCGZYJW-LMMKCTJWSA-N 1 3 371.516 2.932 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101478457 1024848302 /nfs/dbraw/zinc/84/83/02/1024848302.db2.gz OUMATANTCGZYJW-LMMKCTJWSA-N 1 3 371.516 2.932 20 0 FFADHO CC[C@H](C(=O)N1CCO[C@@H]2CN(CCC3CCCC3)C[C@@H]21)[NH+](CC)CC ZINC001218623547 1033250856 /nfs/dbraw/zinc/25/08/56/1033250856.db2.gz AXUZYUSMCKXPEK-HSALFYBXSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c1 ZINC001102045961 1025351717 /nfs/dbraw/zinc/35/17/17/1025351717.db2.gz DZNRGEVVBDFEAZ-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)c1 ZINC001102045961 1025351735 /nfs/dbraw/zinc/35/17/35/1025351735.db2.gz DZNRGEVVBDFEAZ-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c(C)s1 ZINC001102048867 1025356857 /nfs/dbraw/zinc/35/68/57/1025356857.db2.gz ROVALQZUHCKMRT-ZNOIYHFQSA-N 1 3 363.571 2.889 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C3CC3)N(C)C)[C@H](C)C2)c(C)s1 ZINC001102048867 1025356868 /nfs/dbraw/zinc/35/68/68/1025356868.db2.gz ROVALQZUHCKMRT-ZNOIYHFQSA-N 1 3 363.571 2.889 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048644 1025357241 /nfs/dbraw/zinc/35/72/41/1025357241.db2.gz JMUZKGGLAOOBKA-AHRSYUTCSA-N 1 3 361.574 2.981 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1CNC(=O)[C@H](C1CC1)N(C)C ZINC001102048644 1025357255 /nfs/dbraw/zinc/35/72/55/1025357255.db2.gz JMUZKGGLAOOBKA-AHRSYUTCSA-N 1 3 361.574 2.981 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)cs1 ZINC001102071294 1025390137 /nfs/dbraw/zinc/39/01/37/1025390137.db2.gz JHMZHEPGUGKUMH-OLMNPRSZSA-N 1 3 351.560 2.827 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)cs1 ZINC001102071294 1025390141 /nfs/dbraw/zinc/39/01/41/1025390141.db2.gz JHMZHEPGUGKUMH-OLMNPRSZSA-N 1 3 351.560 2.827 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637717074 1025544119 /nfs/dbraw/zinc/54/41/19/1025544119.db2.gz DJHGVDKTZMOVLC-PMACEKPBSA-N 1 3 358.530 2.553 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637717074 1025544127 /nfs/dbraw/zinc/54/41/27/1025544127.db2.gz DJHGVDKTZMOVLC-PMACEKPBSA-N 1 3 358.530 2.553 20 0 FFADHO C[C@@H]1CN(Cc2ccccn2)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102189111 1025556623 /nfs/dbraw/zinc/55/66/23/1025556623.db2.gz WRLCPWSPTZUTRB-QZTJIDSGSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1CN([C@@H]2CCc3c2cc(F)cc3F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318819 1025741667 /nfs/dbraw/zinc/74/16/67/1025741667.db2.gz LITGYOOUBVQCCZ-PJIJBLCYSA-N 1 3 365.468 2.588 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638242995 1025751671 /nfs/dbraw/zinc/75/16/71/1025751671.db2.gz XVXFMBHUBJIWMM-QGZVFWFLSA-N 1 3 351.450 2.629 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638242995 1025751675 /nfs/dbraw/zinc/75/16/75/1025751675.db2.gz XVXFMBHUBJIWMM-QGZVFWFLSA-N 1 3 351.450 2.629 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001102330219 1025760526 /nfs/dbraw/zinc/76/05/26/1025760526.db2.gz JILPPFXTEPYKLB-JFIYKMOQSA-N 1 3 351.560 2.561 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C)N(C)C ZINC001102330219 1025760537 /nfs/dbraw/zinc/76/05/37/1025760537.db2.gz JILPPFXTEPYKLB-JFIYKMOQSA-N 1 3 351.560 2.561 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000638358915 1025803572 /nfs/dbraw/zinc/80/35/72/1025803572.db2.gz LZQNNXTYVBVJOJ-NRFANRHFSA-N 1 3 366.509 2.912 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638364397 1025804436 /nfs/dbraw/zinc/80/44/36/1025804436.db2.gz ZKNVVLIOWNVJPC-KJXAQDMKSA-N 1 3 370.585 2.970 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366848 1025820940 /nfs/dbraw/zinc/82/09/40/1025820940.db2.gz SDKFQQZQWOFLSC-ZIFCJYIRSA-N 1 3 361.505 2.537 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1CNC(=O)CN1CCC[C@@H]1C ZINC001102366848 1025820951 /nfs/dbraw/zinc/82/09/51/1025820951.db2.gz SDKFQQZQWOFLSC-ZIFCJYIRSA-N 1 3 361.505 2.537 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1C ZINC001102366941 1025821176 /nfs/dbraw/zinc/82/11/76/1025821176.db2.gz VWBAADIFLLNKGT-KGQZGZMQSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1C ZINC001102366941 1025821192 /nfs/dbraw/zinc/82/11/92/1025821192.db2.gz VWBAADIFLLNKGT-KGQZGZMQSA-N 1 3 355.526 2.868 20 0 FFADHO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638400549 1025825092 /nfs/dbraw/zinc/82/50/92/1025825092.db2.gz ZIWMKKNGSXNSBV-MRXNPFEDSA-N 1 3 361.530 2.996 20 0 FFADHO Cc1ccc(CCC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1 ZINC001102369936 1025828021 /nfs/dbraw/zinc/82/80/21/1025828021.db2.gz LCFGCNXCUKJTJR-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)cc1 ZINC001102369936 1025828034 /nfs/dbraw/zinc/82/80/34/1025828034.db2.gz LCFGCNXCUKJTJR-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO OC1CCN(CCC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638411680 1025830087 /nfs/dbraw/zinc/83/00/87/1025830087.db2.gz KPMPWXZYELPAQV-KNQAVFIVSA-N 1 3 357.542 2.791 20 0 FFADHO Cc1ncccc1C[N@@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375441 1025841920 /nfs/dbraw/zinc/84/19/20/1025841920.db2.gz JSOCTHAXWPYSJX-VQIMIIECSA-N 1 3 360.546 2.552 20 0 FFADHO Cc1ncccc1C[N@H+]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001102375441 1025841942 /nfs/dbraw/zinc/84/19/42/1025841942.db2.gz JSOCTHAXWPYSJX-VQIMIIECSA-N 1 3 360.546 2.552 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1C)N(C)C ZINC001102376882 1025846892 /nfs/dbraw/zinc/84/68/92/1025846892.db2.gz AIIZGTKIKJOEEU-BSIFCXSSSA-N 1 3 368.525 2.759 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C)N(C)C ZINC001102376882 1025846908 /nfs/dbraw/zinc/84/69/08/1025846908.db2.gz AIIZGTKIKJOEEU-BSIFCXSSSA-N 1 3 368.525 2.759 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ccc2OC)C[C@H]1C)N(C)C ZINC001102381853 1025857382 /nfs/dbraw/zinc/85/73/82/1025857382.db2.gz DXYQKWUROMFEFE-QRQLOZEOSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ccc2OC)C[C@H]1C)N(C)C ZINC001102381853 1025857399 /nfs/dbraw/zinc/85/73/99/1025857399.db2.gz DXYQKWUROMFEFE-QRQLOZEOSA-N 1 3 361.530 2.528 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001102475616 1026055159 /nfs/dbraw/zinc/05/51/59/1026055159.db2.gz WOYNLVVTJSCKAE-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001102475616 1026055173 /nfs/dbraw/zinc/05/51/73/1026055173.db2.gz WOYNLVVTJSCKAE-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001102532085 1026244536 /nfs/dbraw/zinc/24/45/36/1026244536.db2.gz SUELMKNVXDOLNG-VQIMIIECSA-N 1 3 354.498 2.762 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001102532085 1026244549 /nfs/dbraw/zinc/24/45/49/1026244549.db2.gz SUELMKNVXDOLNG-VQIMIIECSA-N 1 3 354.498 2.762 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001102531693 1026245319 /nfs/dbraw/zinc/24/53/19/1026245319.db2.gz AHIVAGDWSDMHFN-BMFZPTHFSA-N 1 3 368.472 2.770 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C ZINC001102531693 1026245329 /nfs/dbraw/zinc/24/53/29/1026245329.db2.gz AHIVAGDWSDMHFN-BMFZPTHFSA-N 1 3 368.472 2.770 20 0 FFADHO C[C@@H]1CN(Cc2ccccn2)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583151 1026342870 /nfs/dbraw/zinc/34/28/70/1026342870.db2.gz XYGYRXMTLXUBBJ-RTBURBONSA-N 1 3 358.530 2.532 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001102600381 1026397959 /nfs/dbraw/zinc/39/79/59/1026397959.db2.gz CIDUUHKQAODSBJ-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C ZINC001102600381 1026397967 /nfs/dbraw/zinc/39/79/67/1026397967.db2.gz CIDUUHKQAODSBJ-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO O[C@]1(CN2CCC(c3ccncc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639613746 1026399081 /nfs/dbraw/zinc/39/90/81/1026399081.db2.gz VXNMQYOCWKVFED-QFIPXVFZSA-N 1 3 351.494 2.898 20 0 FFADHO O[C@]1(CN2CCC(c3ccncc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639613746 1026399090 /nfs/dbraw/zinc/39/90/90/1026399090.db2.gz VXNMQYOCWKVFED-QFIPXVFZSA-N 1 3 351.494 2.898 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102600629 1026401718 /nfs/dbraw/zinc/40/17/18/1026401718.db2.gz NOOSNZFSIWDREG-IXDOHACOSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102600629 1026401725 /nfs/dbraw/zinc/40/17/25/1026401725.db2.gz NOOSNZFSIWDREG-IXDOHACOSA-N 1 3 359.505 2.836 20 0 FFADHO C[C@@H]1CC[N@@H+](C[C@@H](CN2CC[C@H](C)[C@@H](CO)C2)c2ccccc2)C[C@H]1CO ZINC000639884120 1026502623 /nfs/dbraw/zinc/50/26/23/1026502623.db2.gz CHTKHHUFEVYWQT-NORILPHNSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CC[N@H+](C[C@@H](CN2CC[C@H](C)[C@@H](CO)C2)c2ccccc2)C[C@H]1CO ZINC000639884120 1026502629 /nfs/dbraw/zinc/50/26/29/1026502629.db2.gz CHTKHHUFEVYWQT-NORILPHNSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CCN(C[C@@H](C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c2ccccc2)C[C@H]1CO ZINC000639884120 1026502638 /nfs/dbraw/zinc/50/26/38/1026502638.db2.gz CHTKHHUFEVYWQT-NORILPHNSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1CCN(C[C@@H](C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c2ccccc2)C[C@H]1CO ZINC000639884120 1026502648 /nfs/dbraw/zinc/50/26/48/1026502648.db2.gz CHTKHHUFEVYWQT-NORILPHNSA-N 1 3 374.569 2.671 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3snc4ccccc43)CC2)CC1 ZINC000640250770 1026670108 /nfs/dbraw/zinc/67/01/08/1026670108.db2.gz JKHWJNIRVNYXKR-UHFFFAOYSA-N 1 3 373.526 2.976 20 0 FFADHO Cn1cncc1CN1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204385349 1027044045 /nfs/dbraw/zinc/04/40/45/1027044045.db2.gz JEGMJCWPJMKZHO-IBGZPJMESA-N 1 3 354.498 2.676 20 0 FFADHO Cn1cncc1CN1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204385349 1027044054 /nfs/dbraw/zinc/04/40/54/1027044054.db2.gz JEGMJCWPJMKZHO-IBGZPJMESA-N 1 3 354.498 2.676 20 0 FFADHO Cc1onc(-c2ccccc2)c1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001141985702 1027245949 /nfs/dbraw/zinc/24/59/49/1027245949.db2.gz GJJZUDXARKWABA-UHFFFAOYSA-N 1 3 354.498 2.862 20 0 FFADHO CCn1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(-c2ccccc2)n1 ZINC000641764922 1027295267 /nfs/dbraw/zinc/29/52/67/1027295267.db2.gz OFSHYHYXYSJHDS-UHFFFAOYSA-N 1 3 355.530 2.686 20 0 FFADHO CN1CCN(c2ccc(Nc3ccc(CN4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001159447566 1027392465 /nfs/dbraw/zinc/39/24/65/1027392465.db2.gz OBYDOHHUYSXMMQ-UHFFFAOYSA-N 1 3 365.525 2.587 20 0 FFADHO [NH3+]C1CCC(N(c2ncc3c(n2)CCNC3)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001159561397 1027432225 /nfs/dbraw/zinc/43/22/25/1027432225.db2.gz RWMNNRBKLSSLFP-KWOGNLBTSA-N 1 3 363.509 2.755 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CCC[C@@H]3C)C2)sn1 ZINC001103433337 1027471494 /nfs/dbraw/zinc/47/14/94/1027471494.db2.gz CLNPVKCCPVQYLJ-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CCC[C@@H]3C)C2)sn1 ZINC001103433337 1027471502 /nfs/dbraw/zinc/47/15/02/1027471502.db2.gz CLNPVKCCPVQYLJ-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495675 1027601725 /nfs/dbraw/zinc/60/17/25/1027601725.db2.gz NIYWGPQJPIQIAW-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495675 1027601732 /nfs/dbraw/zinc/60/17/32/1027601732.db2.gz NIYWGPQJPIQIAW-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1C ZINC001103541974 1027655990 /nfs/dbraw/zinc/65/59/90/1027655990.db2.gz FEEVGQUIZIGSDB-HSALFYBXSA-N 1 3 369.594 2.734 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1C ZINC001103541974 1027655997 /nfs/dbraw/zinc/65/59/97/1027655997.db2.gz FEEVGQUIZIGSDB-HSALFYBXSA-N 1 3 369.594 2.734 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1C ZINC001103550162 1027666541 /nfs/dbraw/zinc/66/65/41/1027666541.db2.gz BWBKVOOAEOAUST-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C ZINC001103550162 1027666544 /nfs/dbraw/zinc/66/65/44/1027666544.db2.gz BWBKVOOAEOAUST-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001103663507 1027920583 /nfs/dbraw/zinc/92/05/83/1027920583.db2.gz FMNRVUNIMBPDNE-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001103663507 1027920592 /nfs/dbraw/zinc/92/05/92/1027920592.db2.gz FMNRVUNIMBPDNE-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3ccc(OC(C)(C)C)cc3)C[C@H]2C1 ZINC001161174906 1028052197 /nfs/dbraw/zinc/05/21/97/1028052197.db2.gz GGRALYCZEZIJNB-NSHGMRRFSA-N 1 3 373.541 2.534 20 0 FFADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3ccc(OC(C)(C)C)cc3)C[C@H]2C1 ZINC001161174906 1028052214 /nfs/dbraw/zinc/05/22/14/1028052214.db2.gz GGRALYCZEZIJNB-NSHGMRRFSA-N 1 3 373.541 2.534 20 0 FFADHO Cc1ccc(-c2cc(C(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)c[nH]2)cc1 ZINC001161449379 1028178985 /nfs/dbraw/zinc/17/89/85/1028178985.db2.gz MNADNOCNZOULTF-LJQANCHMSA-N 1 3 354.498 2.746 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCc1cc(C(F)(F)F)ccn1 ZINC000644654381 1028612776 /nfs/dbraw/zinc/61/27/76/1028612776.db2.gz IAKBBHBJNKWYRE-GOSISDBHSA-N 1 3 367.415 2.725 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCc1cc(C(F)(F)F)ccn1 ZINC000644654381 1028612794 /nfs/dbraw/zinc/61/27/94/1028612794.db2.gz IAKBBHBJNKWYRE-GOSISDBHSA-N 1 3 367.415 2.725 20 0 FFADHO [NH3+]C1CCN(c2cccc(NC[C@@H](O)c3cc4ccccc4o3)n2)CC1 ZINC001162700924 1028627126 /nfs/dbraw/zinc/62/71/26/1028627126.db2.gz MZIIORUMIZEAHE-MRXNPFEDSA-N 1 3 352.438 2.901 20 0 FFADHO C[C@@H](N)c1nc2ccccc2n1-c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001155256317 1028648320 /nfs/dbraw/zinc/64/83/20/1028648320.db2.gz GXXDSWFUXGCFKU-CQSZACIVSA-N 1 3 351.454 2.913 20 0 FFADHO FC(F)(F)c1ccc2nccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001163322086 1028893018 /nfs/dbraw/zinc/89/30/18/1028893018.db2.gz GOEWWNLHZPSLID-SUMWQHHRSA-N 1 3 351.372 2.999 20 0 FFADHO C[N@H+](Cc1ccc(N2CCCN(Cc3ccncc3)CC2)nc1)C1CC1 ZINC001163828108 1029081346 /nfs/dbraw/zinc/08/13/46/1029081346.db2.gz DFDSNGWUAWCWDG-UHFFFAOYSA-N 1 3 351.498 2.783 20 0 FFADHO C[N@@H+](Cc1ccc(N2CCCN(Cc3ccncc3)CC2)nc1)C1CC1 ZINC001163828108 1029081363 /nfs/dbraw/zinc/08/13/63/1029081363.db2.gz DFDSNGWUAWCWDG-UHFFFAOYSA-N 1 3 351.498 2.783 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc(CC[NH+](C)C)c2)cc1 ZINC001157520590 1029607453 /nfs/dbraw/zinc/60/74/53/1029607453.db2.gz CIFHXOTWVHBVDH-OAQYLSRUSA-N 1 3 369.509 2.832 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)CC1 ZINC001157841643 1029673753 /nfs/dbraw/zinc/67/37/53/1029673753.db2.gz IBAJJCUQQJSQMS-UHFFFAOYSA-N 1 3 369.488 2.747 20 0 FFADHO N[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC001157959726 1029692595 /nfs/dbraw/zinc/69/25/95/1029692595.db2.gz FCNIRRVGYNJJMN-DLBZAZTESA-N 1 3 374.282 2.622 20 0 FFADHO O=C(c1csc([C@@H]2CCCN2)n1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158037395 1029714044 /nfs/dbraw/zinc/71/40/44/1029714044.db2.gz CVBIXCRIYKPXQB-KXBFYZLASA-N 1 3 362.543 2.954 20 0 FFADHO [NH3+]CC12CC(C1)CN2C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001158186864 1029752079 /nfs/dbraw/zinc/75/20/79/1029752079.db2.gz HVXWALRPAQBLLH-UHFFFAOYSA-N 1 3 361.489 2.658 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N(C)C3CCC([NH3+])CC3)c(C)c2)CC1 ZINC000841016169 1029977482 /nfs/dbraw/zinc/97/74/82/1029977482.db2.gz DZUZDOFNZHMCBW-UHFFFAOYSA-N 1 3 373.545 2.871 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(CC2(C[NH3+])CC2)CC1 ZINC000841098539 1030034834 /nfs/dbraw/zinc/03/48/34/1030034834.db2.gz IFJQRMAMMPBTDW-SJORKVTESA-N 1 3 367.534 2.510 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001112179746 1030160402 /nfs/dbraw/zinc/16/04/02/1030160402.db2.gz HTMTVNGMAKUQES-HZPDHXFCSA-N 1 3 363.468 2.887 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000841290831 1030163111 /nfs/dbraw/zinc/16/31/11/1030163111.db2.gz BCEXHFXUSJYEPI-FQEVSTJZSA-N 1 3 368.481 2.983 20 0 FFADHO O=C(C1CCN(Cc2ccncc2)CC1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001142343448 1030331074 /nfs/dbraw/zinc/33/10/74/1030331074.db2.gz DQKIQIKSQJATAV-NRFANRHFSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142347662 1030334816 /nfs/dbraw/zinc/33/48/16/1030334816.db2.gz IBUBWNVSTZSPGE-SFHVURJKSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142347662 1030334831 /nfs/dbraw/zinc/33/48/31/1030334831.db2.gz IBUBWNVSTZSPGE-SFHVURJKSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@H](CNC(=O)C1CCN(Cc2ccncc2)CC1)CC(C)(C)CC[NH3+] ZINC001142349846 1030336630 /nfs/dbraw/zinc/33/66/30/1030336630.db2.gz NDAUHEZQUUMIIE-KRWDZBQOSA-N 1 3 360.546 2.811 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)CN1Cc1ccccc1 ZINC000841854876 1030503759 /nfs/dbraw/zinc/50/37/59/1030503759.db2.gz FXAFGQOZRVBVDZ-DYESRHJHSA-N 1 3 366.509 2.650 20 0 FFADHO Cc1ccc2c(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cc(=O)oc2c1 ZINC000842479445 1030754557 /nfs/dbraw/zinc/75/45/57/1030754557.db2.gz SUJNMBIMTVMRDK-IEBWSBKVSA-N 1 3 356.466 2.820 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccn2)C1 ZINC001112439429 1030814183 /nfs/dbraw/zinc/81/41/83/1030814183.db2.gz ZBMRYAMFGMPIBN-UWJYYQICSA-N 1 3 358.530 2.530 20 0 FFADHO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CN4CCC[C@H]4CO3)CC23CC3)cc1 ZINC000842677939 1030893905 /nfs/dbraw/zinc/89/39/05/1030893905.db2.gz NBALXRXDSKLBRN-PCCBWWKXSA-N 1 3 355.526 2.636 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCCN(c3ncccn3)CC2)cc1 ZINC001204266913 1031194628 /nfs/dbraw/zinc/19/46/28/1031194628.db2.gz BBMNQOUMOKSPER-UHFFFAOYSA-N 1 3 369.513 2.519 20 0 FFADHO CCOC(=O)Nc1ccc2c(C[NH2+][C@@](C)(CN)C(C)C)cc(=O)oc2c1 ZINC000843356001 1031348035 /nfs/dbraw/zinc/34/80/35/1031348035.db2.gz AJIFRCLRONIFNC-IBGZPJMESA-N 1 3 361.442 2.824 20 0 FFADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCc1ccc(F)cc1C(F)(F)F ZINC000843363764 1031356384 /nfs/dbraw/zinc/35/63/84/1031356384.db2.gz POKQXPJHCUGDGR-UHFFFAOYSA-N 1 3 373.394 2.536 20 0 FFADHO c1ccc(CC2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001204604801 1031388299 /nfs/dbraw/zinc/38/82/99/1031388299.db2.gz XSXFKFJQNHEMPT-UHFFFAOYSA-N 1 3 350.510 2.946 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000798485159 1031431499 /nfs/dbraw/zinc/43/14/99/1031431499.db2.gz POSXLBWXXGYQBI-IFMALSPDSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000798485159 1031431506 /nfs/dbraw/zinc/43/15/06/1031431506.db2.gz POSXLBWXXGYQBI-IFMALSPDSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCCF)C1)C1CCC1 ZINC001205415303 1031727672 /nfs/dbraw/zinc/72/76/72/1031727672.db2.gz NLWOHOVFEUUYKQ-RBUKOAKNSA-N 1 3 365.468 2.554 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1F ZINC001205619611 1031876215 /nfs/dbraw/zinc/87/62/15/1031876215.db2.gz JLLHFWJZIPSJRI-SXLOBPIMSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218911478 1033407003 /nfs/dbraw/zinc/40/70/03/1033407003.db2.gz UDVSANGFBBYFOZ-HXUWFJFHSA-N 1 3 366.509 2.860 20 0 FFADHO CCOC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001218951640 1033422379 /nfs/dbraw/zinc/42/23/79/1033422379.db2.gz NXSYOBTWHMWYHP-INIZCTEOSA-N 1 3 350.463 2.689 20 0 FFADHO Nc1ccccc1N(C(=O)[C@@H]1CC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC001219062293 1033498823 /nfs/dbraw/zinc/49/88/23/1033498823.db2.gz ZLWCGVARKIKCCY-FQEVSTJZSA-N 1 3 364.493 2.628 20 0 FFADHO CC(=O)O[C@H]1C[C@@H]2C[C@H](O[C@H](CC[NH+](C)C)c3ccccc3)C[C@H]1N2C ZINC001224133880 1033734127 /nfs/dbraw/zinc/73/41/27/1033734127.db2.gz ODBVJELWWBMKDN-AFDCHOCNSA-N 1 3 360.498 2.863 20 0 FFADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219789917 1033821314 /nfs/dbraw/zinc/82/13/14/1033821314.db2.gz AWHIGQOORGUJFQ-UIFIKXQLSA-N 1 3 366.509 2.597 20 0 FFADHO CCCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000831110636 1033951799 /nfs/dbraw/zinc/95/17/99/1033951799.db2.gz UEKDXTKQHKXXBY-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO CCCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000831110636 1033951804 /nfs/dbraw/zinc/95/18/04/1033951804.db2.gz UEKDXTKQHKXXBY-HXUWFJFHSA-N 1 3 373.545 2.777 20 0 FFADHO NC(C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1)C(F)(F)F ZINC001220542450 1034249137 /nfs/dbraw/zinc/24/91/37/1034249137.db2.gz VRVDVULYONLTJP-NEADZQPHSA-N 1 3 355.404 2.531 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220805418 1034408900 /nfs/dbraw/zinc/40/89/00/1034408900.db2.gz RPBQHJARSLHDSY-JONQDZQNSA-N 1 3 355.404 2.526 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)CCCc2ccccc2)cc1 ZINC001220903137 1034448478 /nfs/dbraw/zinc/44/84/78/1034448478.db2.gz MPMIBJHQSDRVGG-NRFANRHFSA-N 1 3 353.510 2.887 20 0 FFADHO O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)c1ccc2c(c1)CNC2 ZINC001221045953 1034522634 /nfs/dbraw/zinc/52/26/34/1034522634.db2.gz UVHKGINPKBLCNC-FQEVSTJZSA-N 1 3 353.441 2.900 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001221093877 1034543782 /nfs/dbraw/zinc/54/37/82/1034543782.db2.gz YGRGXBCEUODOIN-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F)C1CC1 ZINC001226790946 1034843254 /nfs/dbraw/zinc/84/32/54/1034843254.db2.gz IFKKZJQKMLSUNC-GUDVDZBRSA-N 1 3 365.468 2.822 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1)C1CCC1 ZINC001226824056 1034853940 /nfs/dbraw/zinc/85/39/40/1034853940.db2.gz JMFLENZKGZJIAA-RTBURBONSA-N 1 3 365.468 2.966 20 0 FFADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)c1 ZINC001138985034 1034862761 /nfs/dbraw/zinc/86/27/61/1034862761.db2.gz RYJUZMXVPDHDKD-DYXWJJEUSA-N 1 3 369.513 2.660 20 0 FFADHO CC(C)Oc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)c1 ZINC001138985034 1034862767 /nfs/dbraw/zinc/86/27/67/1034862767.db2.gz RYJUZMXVPDHDKD-DYXWJJEUSA-N 1 3 369.513 2.660 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)sn1 ZINC001226891358 1034875375 /nfs/dbraw/zinc/87/53/75/1034875375.db2.gz UUCNSDXGTRXXHT-CGTJXYLNSA-N 1 3 364.559 2.843 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001226891358 1034875381 /nfs/dbraw/zinc/87/53/81/1034875381.db2.gz UUCNSDXGTRXXHT-CGTJXYLNSA-N 1 3 364.559 2.843 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C)N(C)C ZINC001227057718 1034923611 /nfs/dbraw/zinc/92/36/11/1034923611.db2.gz ZSRWOZWOXDLGDW-GUDVDZBRSA-N 1 3 361.530 2.731 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)cc1 ZINC001227167026 1034958300 /nfs/dbraw/zinc/95/83/00/1034958300.db2.gz YRWPIWRSQOSORF-RTBURBONSA-N 1 3 361.530 2.943 20 0 FFADHO C[C@H]1COCC[C@H]1Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165494 1034958536 /nfs/dbraw/zinc/95/85/36/1034958536.db2.gz SVFWZKPCMXAIES-OXJNMPFZSA-N 1 3 363.546 2.675 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H](C)c3cccc(OC)c3)C[C@H]21 ZINC001221922067 1035158751 /nfs/dbraw/zinc/15/87/51/1035158751.db2.gz YGZLBTBZDXJRBF-ILZDJORESA-N 1 3 359.514 2.631 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H](C)c3cccc(OC)c3)C[C@H]21 ZINC001221922067 1035158758 /nfs/dbraw/zinc/15/87/58/1035158758.db2.gz YGZLBTBZDXJRBF-ILZDJORESA-N 1 3 359.514 2.631 20 0 FFADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277234188 1035692351 /nfs/dbraw/zinc/69/23/51/1035692351.db2.gz ADPYPBRGGBKUEO-FQEVSTJZSA-N 1 3 363.933 2.943 20 0 FFADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277234188 1035692358 /nfs/dbraw/zinc/69/23/58/1035692358.db2.gz ADPYPBRGGBKUEO-FQEVSTJZSA-N 1 3 363.933 2.943 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1c[nH]c(C)n1)CC2 ZINC001232460813 1035705936 /nfs/dbraw/zinc/70/59/36/1035705936.db2.gz ZHEWQELRDOLLDF-HXUWFJFHSA-N 1 3 369.513 2.616 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1c[nH]c(C)n1)CC2 ZINC001232460813 1035705957 /nfs/dbraw/zinc/70/59/57/1035705957.db2.gz ZHEWQELRDOLLDF-HXUWFJFHSA-N 1 3 369.513 2.616 20 0 FFADHO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCN(C2CC2)C1 ZINC001228044034 1035898410 /nfs/dbraw/zinc/89/84/10/1035898410.db2.gz UOHAMWGTMMHUAN-FQEVSTJZSA-N 1 3 370.541 2.825 20 0 FFADHO Cc1c(F)cc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cc1F ZINC001277719871 1036064942 /nfs/dbraw/zinc/06/49/42/1036064942.db2.gz VNIJYPPXAUGLFF-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)s1 ZINC001228434484 1036110516 /nfs/dbraw/zinc/11/05/16/1036110516.db2.gz ADKIIUUPNQOLSX-BRWVUGGUSA-N 1 3 352.548 2.555 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F)N(C)C ZINC001228444599 1036117113 /nfs/dbraw/zinc/11/71/13/1036117113.db2.gz FOIVRDYIEFVBMK-VAMGGRTRSA-N 1 3 363.521 2.971 20 0 FFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1)CC(C)(C)C ZINC001228646892 1036229770 /nfs/dbraw/zinc/22/97/70/1036229770.db2.gz LFMYEBCKIYEIQP-RTBURBONSA-N 1 3 367.578 2.798 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+](C)C)sn1 ZINC001229801938 1036907852 /nfs/dbraw/zinc/90/78/52/1036907852.db2.gz YBFWKXSFWWDNSA-IAGOWNOFSA-N 1 3 352.548 2.700 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230172027 1037129351 /nfs/dbraw/zinc/12/93/51/1037129351.db2.gz PPPGUEPJXBJOII-RTBURBONSA-N 1 3 362.518 2.766 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001207262884 1037295991 /nfs/dbraw/zinc/29/59/91/1037295991.db2.gz LBAUUJHETQPRHF-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001207262884 1037296000 /nfs/dbraw/zinc/29/60/00/1037296000.db2.gz LBAUUJHETQPRHF-YZGWKJHDSA-N 1 3 363.521 2.920 20 0 FFADHO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](CC(C)(C)CN(C)C)C[C@@H]12 ZINC001207282366 1037315765 /nfs/dbraw/zinc/31/57/65/1037315765.db2.gz OJVZPKAVUXTCJB-IFMALSPDSA-N 1 3 357.542 2.839 20 0 FFADHO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CC(C)(C)CN(C)C)C[C@@H]12 ZINC001207282366 1037315782 /nfs/dbraw/zinc/31/57/82/1037315782.db2.gz OJVZPKAVUXTCJB-IFMALSPDSA-N 1 3 357.542 2.839 20 0 FFADHO Cc1cc(I)c(CN2CC[C@@H](C3C[NH2+]C3)C2)cc1C ZINC001235343015 1037491345 /nfs/dbraw/zinc/49/13/45/1037491345.db2.gz ZLTYPWHNWMEGOS-CYBMUJFWSA-N 1 3 370.278 2.949 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(OCC)cc3F)C[C@@H]1CC[NH2+]CC2 ZINC001235348194 1037493673 /nfs/dbraw/zinc/49/36/73/1037493673.db2.gz CUTHBWGMNZXVFK-JXFKEZNVSA-N 1 3 364.461 2.589 20 0 FFADHO Cc1cc(Br)cc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1 ZINC001235366779 1037506013 /nfs/dbraw/zinc/50/60/13/1037506013.db2.gz FRTPUEYAOPHDBI-DJIMGWMZSA-N 1 3 351.288 2.710 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCCc1cccc(F)c1)CC2 ZINC001207599698 1037589129 /nfs/dbraw/zinc/58/91/29/1037589129.db2.gz FMWFEHROWIYPOS-UHFFFAOYSA-N 1 3 371.500 2.582 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCCc1cccc(F)c1)CC2 ZINC001207599698 1037589148 /nfs/dbraw/zinc/58/91/48/1037589148.db2.gz FMWFEHROWIYPOS-UHFFFAOYSA-N 1 3 371.500 2.582 20 0 FFADHO FC(F)(F)c1ccc(OC2CC[NH+](CC[C@@H]3CNCCO3)CC2)cc1 ZINC001235675813 1037677156 /nfs/dbraw/zinc/67/71/56/1037677156.db2.gz UHNMAYISUSHZAF-QGZVFWFLSA-N 1 3 358.404 2.927 20 0 FFADHO Fc1c(CN2CCCCC2)cccc1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001236003738 1037884489 /nfs/dbraw/zinc/88/44/89/1037884489.db2.gz FTBXEPUGVGYHGN-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(F)c4ccccc34)C[C@H]1CNCC2 ZINC001236039730 1037904262 /nfs/dbraw/zinc/90/42/62/1037904262.db2.gz YQHRDKQFAJTNKR-IIBYNOLFSA-N 1 3 356.441 2.954 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@H]1CNCC2 ZINC001236039730 1037904272 /nfs/dbraw/zinc/90/42/72/1037904272.db2.gz YQHRDKQFAJTNKR-IIBYNOLFSA-N 1 3 356.441 2.954 20 0 FFADHO Cc1ccc(CN2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC001236129002 1037943684 /nfs/dbraw/zinc/94/36/84/1037943684.db2.gz UNYAUFGTGXAFAA-UHFFFAOYSA-N 1 3 352.320 2.627 20 0 FFADHO c1cc(OC2CCCCC2)ncc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236128866 1037944313 /nfs/dbraw/zinc/94/43/13/1037944313.db2.gz PKNPGZHZNVKPRR-UHFFFAOYSA-N 1 3 358.530 2.663 20 0 FFADHO COc1c(-c2ccc(CN3CCCCC3)c(F)c2)ncnc1C1C[NH2+]C1 ZINC001236248694 1038007072 /nfs/dbraw/zinc/00/70/72/1038007072.db2.gz JUKJDXUIXVOFBD-UHFFFAOYSA-N 1 3 356.445 2.964 20 0 FFADHO C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208114974 1038046843 /nfs/dbraw/zinc/04/68/43/1038046843.db2.gz WEYORKJRIAVFIE-IEBWSBKVSA-N 1 3 365.562 2.504 20 0 FFADHO Fc1cccc(CN(Cc2nc3c(s2)CNCC3)[C@H]2CCC[NH2+]C2)c1 ZINC001236396538 1038069929 /nfs/dbraw/zinc/06/99/29/1038069929.db2.gz ORABGFOVTSAQPW-INIZCTEOSA-N 1 3 360.502 2.682 20 0 FFADHO C[NH+](C)CC1(CN2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)CCCC1 ZINC001208186020 1038120695 /nfs/dbraw/zinc/12/06/95/1038120695.db2.gz HOIOZONMRJLKEY-LJQANCHMSA-N 1 3 370.541 2.642 20 0 FFADHO CN(C)C(=O)N1CCCC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208187236 1038124597 /nfs/dbraw/zinc/12/45/97/1038124597.db2.gz SNUIAYFBIXYZJW-UHFFFAOYSA-N 1 3 350.551 2.720 20 0 FFADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@@]3(CCN3c3ncccn3)C2)c1 ZINC001232147843 1038198320 /nfs/dbraw/zinc/19/83/20/1038198320.db2.gz MNARMJQDIAWLJW-HXUWFJFHSA-N 1 3 355.461 2.532 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CC[C@H]([N@H+](C)C3CC3)C2)CC1 ZINC001255937888 1038263901 /nfs/dbraw/zinc/26/39/01/1038263901.db2.gz PTLBVYNMXRGJKU-IBGZPJMESA-N 1 3 373.541 2.837 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CC[C@H]([N@@H+](C)C3CC3)C2)CC1 ZINC001255937888 1038263909 /nfs/dbraw/zinc/26/39/09/1038263909.db2.gz PTLBVYNMXRGJKU-IBGZPJMESA-N 1 3 373.541 2.837 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001255939341 1038264857 /nfs/dbraw/zinc/26/48/57/1038264857.db2.gz CBDUKGVAZCXWQM-IAGOWNOFSA-N 1 3 369.550 2.722 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CO1 ZINC001255939341 1038264865 /nfs/dbraw/zinc/26/48/65/1038264865.db2.gz CBDUKGVAZCXWQM-IAGOWNOFSA-N 1 3 369.550 2.722 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccc4ncsc4c3)C[C@H]2CC1 ZINC001278902063 1038286582 /nfs/dbraw/zinc/28/65/82/1038286582.db2.gz QFKGZAQEIKUXMC-CALCHBBNSA-N 1 3 372.538 2.528 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccc4ncsc4c3)C[C@H]2CC1 ZINC001278902063 1038286595 /nfs/dbraw/zinc/28/65/95/1038286595.db2.gz QFKGZAQEIKUXMC-CALCHBBNSA-N 1 3 372.538 2.528 20 0 FFADHO C[C@@H]1CN(CCCc2ccccc2Cl)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492123 1038358411 /nfs/dbraw/zinc/35/84/11/1038358411.db2.gz FAACWQJFMPBSKB-CRAIPNDOSA-N 1 3 351.922 2.661 20 0 FFADHO c1cc(CN2CCOC3(CC[NH+](C4CCN(C5CC5)CC4)CC3)C2)co1 ZINC001256075698 1038360532 /nfs/dbraw/zinc/36/05/32/1038360532.db2.gz ATOHAXANLYSDSR-UHFFFAOYSA-N 1 3 359.514 2.573 20 0 FFADHO FC(F)(F)c1ccnc(N(C2CC[NH2+]CC2)C2CCN(C3CC3)CC2)n1 ZINC001256082302 1038367816 /nfs/dbraw/zinc/36/78/16/1038367816.db2.gz VUNJRBMCEMDMOG-UHFFFAOYSA-N 1 3 369.435 2.681 20 0 FFADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)c3ccncc3)CC2)CC1 ZINC001256566010 1038563173 /nfs/dbraw/zinc/56/31/73/1038563173.db2.gz OVDZFESVXUNSOR-UHFFFAOYSA-N 1 3 358.530 2.786 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](OCC[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC001256566409 1038563344 /nfs/dbraw/zinc/56/33/44/1038563344.db2.gz TWLFDNLIRODXCO-KRWDZBQOSA-N 1 3 369.550 2.865 20 0 FFADHO O=C1CCCN1C1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940505 1038595870 /nfs/dbraw/zinc/59/58/70/1038595870.db2.gz SMYJHDOMOSCSEA-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO O=C1CCCN1C1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940505 1038595875 /nfs/dbraw/zinc/59/58/75/1038595875.db2.gz SMYJHDOMOSCSEA-FQEVSTJZSA-N 1 3 355.526 2.985 20 0 FFADHO COc1cccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)c1 ZINC001256680708 1038600761 /nfs/dbraw/zinc/60/07/61/1038600761.db2.gz BCLXFKGGLFUULA-UHFFFAOYSA-N 1 3 374.525 2.934 20 0 FFADHO OCC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC001256683169 1038601460 /nfs/dbraw/zinc/60/14/60/1038601460.db2.gz USZCEVNBXXVMDR-CTWPCTMYSA-N 1 3 352.906 2.997 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687938 1038604058 /nfs/dbraw/zinc/60/40/58/1038604058.db2.gz KULBVKOJMSDBAH-QBKZBJQZSA-N 1 3 357.542 2.740 20 0 FFADHO COc1cc2c(cc1OC)C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256687972 1038604256 /nfs/dbraw/zinc/60/42/56/1038604256.db2.gz LIXRRMFZAJIGCD-GPJFCIFZSA-N 1 3 374.525 2.794 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1)C1CCC1 ZINC001208959772 1038607976 /nfs/dbraw/zinc/60/79/76/1038607976.db2.gz TWSSJEXLMWTASE-TZIWHRDSSA-N 1 3 355.526 2.889 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1)C1CCC1 ZINC001208959772 1038607979 /nfs/dbraw/zinc/60/79/79/1038607979.db2.gz TWSSJEXLMWTASE-TZIWHRDSSA-N 1 3 355.526 2.889 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@@H+]3CCC[C@@H](Oc4cnccn4)C3)C2)cc1 ZINC001208963025 1038609334 /nfs/dbraw/zinc/60/93/34/1038609334.db2.gz OBIHCQMAYATLKM-VQTJNVASSA-N 1 3 352.482 2.842 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@H+]3CCC[C@@H](Oc4cnccn4)C3)C2)cc1 ZINC001208963025 1038609337 /nfs/dbraw/zinc/60/93/37/1038609337.db2.gz OBIHCQMAYATLKM-VQTJNVASSA-N 1 3 352.482 2.842 20 0 FFADHO CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208976743 1038613938 /nfs/dbraw/zinc/61/39/38/1038613938.db2.gz RBANWOLRUSSLGO-VSKRKVRLSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208976743 1038613941 /nfs/dbraw/zinc/61/39/41/1038613941.db2.gz RBANWOLRUSSLGO-VSKRKVRLSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208976743 1038613944 /nfs/dbraw/zinc/61/39/44/1038613944.db2.gz RBANWOLRUSSLGO-VSKRKVRLSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208976743 1038613948 /nfs/dbraw/zinc/61/39/48/1038613948.db2.gz RBANWOLRUSSLGO-VSKRKVRLSA-N 1 3 355.526 2.699 20 0 FFADHO COCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001209049411 1038650672 /nfs/dbraw/zinc/65/06/72/1038650672.db2.gz GGLFYFNXRPISCL-VXKWHMMOSA-N 1 3 373.541 2.669 20 0 FFADHO COCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001209049411 1038650676 /nfs/dbraw/zinc/65/06/76/1038650676.db2.gz GGLFYFNXRPISCL-VXKWHMMOSA-N 1 3 373.541 2.669 20 0 FFADHO CC(C)N(C)Cc1nn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c2c1CCNC2 ZINC001256917755 1038656039 /nfs/dbraw/zinc/65/60/39/1038656039.db2.gz VHRIJBLRSOFURZ-GOSISDBHSA-N 1 3 359.562 2.949 20 0 FFADHO CC(C)N(C)Cc1nn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2c1CCNC2 ZINC001256917755 1038656042 /nfs/dbraw/zinc/65/60/42/1038656042.db2.gz VHRIJBLRSOFURZ-GOSISDBHSA-N 1 3 359.562 2.949 20 0 FFADHO C[NH+]1CCC(CN2CCN(CCc3ccc(F)cc3Cl)CC2)CC1 ZINC001209115755 1038671006 /nfs/dbraw/zinc/67/10/06/1038671006.db2.gz YTICHTCEUYKDOW-UHFFFAOYSA-N 1 3 353.913 2.981 20 0 FFADHO CC(C)C(=O)N[C@@H]1COCCC12CCN(C1CC[NH+](C(C)C)CC1)CC2 ZINC001257215130 1038746301 /nfs/dbraw/zinc/74/63/01/1038746301.db2.gz ASYLUHVJNSGOKV-LJQANCHMSA-N 1 3 365.562 2.503 20 0 FFADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C[C@H](O)C(F)(F)F)CC2 ZINC001250970477 1038866459 /nfs/dbraw/zinc/86/64/59/1038866459.db2.gz UOEOUQLUMYVNTB-INIZCTEOSA-N 1 3 357.420 2.681 20 0 FFADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C[C@H](O)C(F)(F)F)CC2 ZINC001250970477 1038866478 /nfs/dbraw/zinc/86/64/78/1038866478.db2.gz UOEOUQLUMYVNTB-INIZCTEOSA-N 1 3 357.420 2.681 20 0 FFADHO Fc1cccc(O[C@H]2C[C@@H]3CN(CCC[NH+]4CCCCC4)CCN3C2)c1 ZINC001209450785 1038878279 /nfs/dbraw/zinc/87/82/79/1038878279.db2.gz RDUUFMNGQSTNHF-CTNGQTDRSA-N 1 3 361.505 2.839 20 0 FFADHO CCOC(=O)C1CCC(O)(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001251057315 1038917263 /nfs/dbraw/zinc/91/72/63/1038917263.db2.gz BRTFYHMOXLQTTO-KYBDOYODSA-N 1 3 366.546 2.810 20 0 FFADHO CCOC(=O)C1CCC(O)(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001251057315 1038917279 /nfs/dbraw/zinc/91/72/79/1038917279.db2.gz BRTFYHMOXLQTTO-KYBDOYODSA-N 1 3 366.546 2.810 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)cc1OCC ZINC001279046294 1038977563 /nfs/dbraw/zinc/97/75/63/1038977563.db2.gz LBBUHBYRWLMDHQ-RBUKOAKNSA-N 1 3 361.530 2.552 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)cc1OCC ZINC001279046294 1038977566 /nfs/dbraw/zinc/97/75/66/1038977566.db2.gz LBBUHBYRWLMDHQ-RBUKOAKNSA-N 1 3 361.530 2.552 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(C(F)(F)F)cn1)CC2 ZINC001279051041 1039004509 /nfs/dbraw/zinc/00/45/09/1039004509.db2.gz TURHMYZZMMOQDP-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1Cl ZINC001245980233 1039174849 /nfs/dbraw/zinc/17/48/49/1039174849.db2.gz HNPMZAXNHIFLHR-ZWKOTPCHSA-N 1 3 354.828 2.947 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001245984569 1039177145 /nfs/dbraw/zinc/17/71/45/1039177145.db2.gz QVRBULDNQULACI-ZACQAIPSSA-N 1 3 367.493 2.896 20 0 FFADHO O[C@@H](CN[C@@H](C1CCC1)C1C[NH2+]C1)COCc1c(Cl)cccc1Cl ZINC001246022070 1039197584 /nfs/dbraw/zinc/19/75/84/1039197584.db2.gz VCFRNRLBAXGUGP-KSSFIOAISA-N 1 3 373.324 2.849 20 0 FFADHO CN(C)C1=NOC2(C1)CC[NH+](C1CCN(CCc3ccccc3)CC1)CC2 ZINC001258142225 1039221857 /nfs/dbraw/zinc/22/18/57/1039221857.db2.gz VABRDFYNZRJVAL-UHFFFAOYSA-N 1 3 370.541 2.824 20 0 FFADHO Cc1ccccc1OC[C@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001251742947 1039283335 /nfs/dbraw/zinc/28/33/35/1039283335.db2.gz MBMWRSIDSZWLEF-OAQYLSRUSA-N 1 3 369.509 2.632 20 0 FFADHO C[C@@H]1CC(N[C@@H]2Cc3ccc(I)cc3C2)C[C@@H](C)[NH2+]1 ZINC001246269438 1039292804 /nfs/dbraw/zinc/29/28/04/1039292804.db2.gz LOYUPXHIIZEMPT-GLKRBJQHSA-N 1 3 370.278 2.877 20 0 FFADHO C[C@@H]1CC([NH2+][C@@H]2Cc3ccc(I)cc3C2)C[C@@H](C)N1 ZINC001246269438 1039292809 /nfs/dbraw/zinc/29/28/09/1039292809.db2.gz LOYUPXHIIZEMPT-GLKRBJQHSA-N 1 3 370.278 2.877 20 0 FFADHO COc1ccc(CC2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246379332 1039328220 /nfs/dbraw/zinc/32/82/20/1039328220.db2.gz XOKWBGOMECXUAG-NVXWUHKLSA-N 1 3 371.447 2.632 20 0 FFADHO COc1ccc(C2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246380714 1039330363 /nfs/dbraw/zinc/33/03/63/1039330363.db2.gz MDULCIRKVYJZJO-ZBFHGGJFSA-N 1 3 357.420 2.546 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(OCc3ccccc3)cc2)CN1 ZINC001246454697 1039358883 /nfs/dbraw/zinc/35/88/83/1039358883.db2.gz FLFGSJQSICAHDT-QMMLZNLJSA-N 1 3 354.494 2.899 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246612840 1039414540 /nfs/dbraw/zinc/41/45/40/1039414540.db2.gz XLCCBEPBNMZAMP-QFIPXVFZSA-N 1 3 373.541 2.886 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210179453 1039421042 /nfs/dbraw/zinc/42/10/42/1039421042.db2.gz NSOYZJXNJSTASW-VAMGGRTRSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001210179453 1039421047 /nfs/dbraw/zinc/42/10/47/1039421047.db2.gz NSOYZJXNJSTASW-VAMGGRTRSA-N 1 3 367.578 2.894 20 0 FFADHO Cc1cc(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cnc1Cl ZINC001278643318 1039422021 /nfs/dbraw/zinc/42/20/21/1039422021.db2.gz RCYYQUJKEFYTER-UHFFFAOYSA-N 1 3 359.905 2.838 20 0 FFADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CN1 ZINC001246669449 1039434037 /nfs/dbraw/zinc/43/40/37/1039434037.db2.gz AFZHGTCZBRYJPS-DHXZDTOLSA-N 1 3 354.473 2.938 20 0 FFADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CN1 ZINC001246669449 1039434039 /nfs/dbraw/zinc/43/40/39/1039434039.db2.gz AFZHGTCZBRYJPS-DHXZDTOLSA-N 1 3 354.473 2.938 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCOCC2CC2)C[C@H]1C ZINC001210236082 1039440125 /nfs/dbraw/zinc/44/01/25/1039440125.db2.gz JTBYAZZMTUPHTQ-UYAOXDASSA-N 1 3 367.578 2.752 20 0 FFADHO CC(C)n1nc(CN(c2nccs2)[C@@H]2CC[NH2+][C@H](C)C2)c2c1CNCC2 ZINC001246702593 1039444207 /nfs/dbraw/zinc/44/42/07/1039444207.db2.gz HJTPOKMDTJPGTQ-HUUCEWRRSA-N 1 3 374.558 2.713 20 0 FFADHO CC(C)(C)[C@H]1C[C@@H](N2CCCn3cnc(CNC4CCC4)c3C2)CC[NH2+]1 ZINC001246729166 1039454428 /nfs/dbraw/zinc/45/44/28/1039454428.db2.gz BWNQPJNCRJFCSF-FXAWDEMLSA-N 1 3 359.562 2.898 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H](N2CCCn3cnc(CNC4CCC4)c3C2)CC[NH2+]1 ZINC001246729169 1039454688 /nfs/dbraw/zinc/45/46/88/1039454688.db2.gz BWNQPJNCRJFCSF-XLIONFOSSA-N 1 3 359.562 2.898 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756555 1039468093 /nfs/dbraw/zinc/46/80/93/1039468093.db2.gz LNLZYSJZDPCQIK-MBOZVWFJSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c2cc(C)ccc21 ZINC001246756555 1039468099 /nfs/dbraw/zinc/46/80/99/1039468099.db2.gz LNLZYSJZDPCQIK-MBOZVWFJSA-N 1 3 370.541 2.843 20 0 FFADHO CC[C@@H]1C[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246807001 1039487310 /nfs/dbraw/zinc/48/73/10/1039487310.db2.gz PVYCPVMHEYWDRK-ZACQAIPSSA-N 1 3 352.320 2.926 20 0 FFADHO Cc1cnc(Cl)c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001278660665 1039503397 /nfs/dbraw/zinc/50/33/97/1039503397.db2.gz VAIPXJGYOSGDSN-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO Cc1cnc(Cl)c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001278660665 1039503401 /nfs/dbraw/zinc/50/34/01/1039503401.db2.gz VAIPXJGYOSGDSN-UHFFFAOYSA-N 1 3 350.938 2.893 20 0 FFADHO COc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)cc1 ZINC001252717577 1039660836 /nfs/dbraw/zinc/66/08/36/1039660836.db2.gz HLXKBPIIINFGFN-GBESFXJTSA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)cc1 ZINC001252717577 1039660842 /nfs/dbraw/zinc/66/08/42/1039660842.db2.gz HLXKBPIIINFGFN-GBESFXJTSA-N 1 3 362.514 2.774 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001252930734 1039807011 /nfs/dbraw/zinc/80/70/11/1039807011.db2.gz AVCXJFJSQVNJQX-IRFCIJBXSA-N 1 3 374.573 2.921 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001252930734 1039807034 /nfs/dbraw/zinc/80/70/34/1039807034.db2.gz AVCXJFJSQVNJQX-IRFCIJBXSA-N 1 3 374.573 2.921 20 0 FFADHO COc1ccccc1-c1ccccc1-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247827995 1039974903 /nfs/dbraw/zinc/97/49/03/1039974903.db2.gz ABOQCIOSCWXFLX-KRWDZBQOSA-N 1 3 362.433 2.689 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)N1CCc2ccccc2C1 ZINC001211269233 1040050059 /nfs/dbraw/zinc/05/00/59/1040050059.db2.gz OUUUXLCFUMUZBH-PWRODBHTSA-N 1 3 370.541 2.559 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)N1CCc2ccccc2C1 ZINC001211269233 1040050076 /nfs/dbraw/zinc/05/00/76/1040050076.db2.gz OUUUXLCFUMUZBH-PWRODBHTSA-N 1 3 370.541 2.559 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C)N1CCCC1 ZINC001211374758 1040119683 /nfs/dbraw/zinc/11/96/83/1040119683.db2.gz MUPXYHPVKCEIMN-HMXCVIKNSA-N 1 3 357.542 2.786 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C)N1CCCC1 ZINC001211374758 1040119686 /nfs/dbraw/zinc/11/96/86/1040119686.db2.gz MUPXYHPVKCEIMN-HMXCVIKNSA-N 1 3 357.542 2.786 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001253406041 1040156739 /nfs/dbraw/zinc/15/67/39/1040156739.db2.gz XMTASWYNYZUFQB-JXFKEZNVSA-N 1 3 371.566 2.752 20 0 FFADHO CN1CCC[C@@H]1CC[NH2+]C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253431970 1040178367 /nfs/dbraw/zinc/17/83/67/1040178367.db2.gz DLCJQODMYWNMEP-MOPGFXCFSA-N 1 3 362.514 2.576 20 0 FFADHO CCc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)on1 ZINC001278503508 1040212411 /nfs/dbraw/zinc/21/24/11/1040212411.db2.gz BJWMWULYYZNZHH-IYBDPMFKSA-N 1 3 356.470 2.682 20 0 FFADHO CCc1cc(CN2C[C@@H]3CC[N@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)on1 ZINC001278503508 1040212422 /nfs/dbraw/zinc/21/24/22/1040212422.db2.gz BJWMWULYYZNZHH-IYBDPMFKSA-N 1 3 356.470 2.682 20 0 FFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC2CCN(Cc3cccnc3)CC2)cc1 ZINC001253847300 1040409927 /nfs/dbraw/zinc/40/99/27/1040409927.db2.gz MOMYDTSPOGXLHN-NRFANRHFSA-N 1 3 369.509 2.632 20 0 FFADHO CO[C@@H]1CN([C@@H](C)c2ccc3ccccc3c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374656 1040489784 /nfs/dbraw/zinc/48/97/84/1040489784.db2.gz PYNQOXWDXUBFCQ-ZLGUVYLKSA-N 1 3 369.509 2.668 20 0 FFADHO CCOC(=O)[C@]1(C)CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040183 1040541677 /nfs/dbraw/zinc/54/16/77/1040541677.db2.gz RCQUILSDNDPENT-OAQYLSRUSA-N 1 3 374.525 2.679 20 0 FFADHO CCOC(=O)[C@]1(C)CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040183 1040541697 /nfs/dbraw/zinc/54/16/97/1040541697.db2.gz RCQUILSDNDPENT-OAQYLSRUSA-N 1 3 374.525 2.679 20 0 FFADHO OC1(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254039438 1040542584 /nfs/dbraw/zinc/54/25/84/1040542584.db2.gz GNUPXYMLFYOUOY-OAQYLSRUSA-N 1 3 367.493 2.562 20 0 FFADHO OC1(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254039438 1040542601 /nfs/dbraw/zinc/54/26/01/1040542601.db2.gz GNUPXYMLFYOUOY-OAQYLSRUSA-N 1 3 367.493 2.562 20 0 FFADHO OC1(C[NH2+]CCOc2ccccc2F)CCN(Cc2ccccc2)CC1 ZINC001254048754 1040550205 /nfs/dbraw/zinc/55/02/05/1040550205.db2.gz XBJOSCWGDQYVMT-UHFFFAOYSA-N 1 3 358.457 2.821 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)CC1=O ZINC001254238002 1040633136 /nfs/dbraw/zinc/63/31/36/1040633136.db2.gz RIYNABFRHDPBNX-MRXNPFEDSA-N 1 3 365.518 2.909 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1=O ZINC001254238002 1040633139 /nfs/dbraw/zinc/63/31/39/1040633139.db2.gz RIYNABFRHDPBNX-MRXNPFEDSA-N 1 3 365.518 2.909 20 0 FFADHO CN1CCC[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001254521373 1040772639 /nfs/dbraw/zinc/77/26/39/1040772639.db2.gz JXSITNJKDRMTHQ-QKNQBKEWSA-N 1 3 359.514 2.816 20 0 FFADHO CN1CCC[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC1 ZINC001254521373 1040772653 /nfs/dbraw/zinc/77/26/53/1040772653.db2.gz JXSITNJKDRMTHQ-QKNQBKEWSA-N 1 3 359.514 2.816 20 0 FFADHO CC[C@@H](c1ccccc1)N1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747113 1040868276 /nfs/dbraw/zinc/86/82/76/1040868276.db2.gz DMQRFLDFTYITSA-HSALFYBXSA-N 1 3 361.530 2.685 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]CCCN1CCCC1)CS2 ZINC001254679942 1040873792 /nfs/dbraw/zinc/87/37/92/1040873792.db2.gz RQUQDUVCSJMDPA-OAHLLOKOSA-N 1 3 355.548 2.557 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NCCC[NH+]1CCCC1)CS2 ZINC001254679942 1040873800 /nfs/dbraw/zinc/87/38/00/1040873800.db2.gz RQUQDUVCSJMDPA-OAHLLOKOSA-N 1 3 355.548 2.557 20 0 FFADHO C[NH+](C)CCOc1cc(F)ccc1NC1=CC[C@H](N2CCOCC2)CC1 ZINC001249569915 1040874729 /nfs/dbraw/zinc/87/47/29/1040874729.db2.gz WSZAODFSONIQNB-SFHVURJKSA-N 1 3 363.477 2.947 20 0 FFADHO CC/C=C/CCN1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921919 1041076100 /nfs/dbraw/zinc/07/61/00/1041076100.db2.gz NCEOSBMVHSDCDA-NHQAVIFJSA-N 1 3 359.514 2.534 20 0 FFADHO COCCC1([NH3+])CCN([C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254971787 1041077677 /nfs/dbraw/zinc/07/76/77/1041077677.db2.gz KVQPPQVFFRXZII-ULQDDVLXSA-N 1 3 367.534 2.604 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC001261377620 1041201203 /nfs/dbraw/zinc/20/12/03/1041201203.db2.gz YKAXRBWDWAFUBX-NRFANRHFSA-N 1 3 366.509 2.912 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H](N2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)C1 ZINC001255366699 1041295547 /nfs/dbraw/zinc/29/55/47/1041295547.db2.gz VPOKSKGKPUFMOD-SBHAEUEKSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H](N2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)C1 ZINC001255366699 1041295561 /nfs/dbraw/zinc/29/55/61/1041295561.db2.gz VPOKSKGKPUFMOD-SBHAEUEKSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC(N3CCC(OC)CC3)CC2)C1 ZINC001255376598 1041305660 /nfs/dbraw/zinc/30/56/60/1041305660.db2.gz DKUWZLTUWSWGLO-AEFFLSMTSA-N 1 3 352.519 2.684 20 0 FFADHO COc1ccc([C@H](N)[C@@H]([NH2+][C@H]2CCN(C)C2)c2ccc(OC)cc2)cc1 ZINC001255424649 1041334127 /nfs/dbraw/zinc/33/41/27/1041334127.db2.gz ZJRSONIGDAPQHC-YYWHXJBOSA-N 1 3 355.482 2.739 20 0 FFADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC001250779268 1041361184 /nfs/dbraw/zinc/36/11/84/1041361184.db2.gz UXYHYBRUXCAGLC-HXUWFJFHSA-N 1 3 364.530 2.640 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc4nccnc4c3)c2)CC1 ZINC001262006610 1041508604 /nfs/dbraw/zinc/50/86/04/1041508604.db2.gz BBVCOAFCMQLKAS-UHFFFAOYSA-N 1 3 361.493 2.667 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001214757244 1041563543 /nfs/dbraw/zinc/56/35/43/1041563543.db2.gz FUGPASDWXWITBE-ZTFGCOKTSA-N 1 3 369.912 2.956 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001214847451 1041591303 /nfs/dbraw/zinc/59/13/03/1041591303.db2.gz FFSPMFIRNRYDGX-IEBWSBKVSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856054 1041596218 /nfs/dbraw/zinc/59/62/18/1041596218.db2.gz WIPVSBVYNPSAQU-DUXKGJEZSA-N 1 3 357.542 2.704 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001214999875 1041639577 /nfs/dbraw/zinc/63/95/77/1041639577.db2.gz QUHRCYFTHUGOEW-GPMSIDNRSA-N 1 3 361.530 2.923 20 0 FFADHO Cn1nc(C(=O)OC(C)(C)C)cc1CN1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262378636 1041667066 /nfs/dbraw/zinc/66/70/66/1041667066.db2.gz HGAYFMHBQZHDMQ-HRCADAONSA-N 1 3 362.518 2.538 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)C(C)(C)[C@H]3c3ccncc3)C[C@@H]2C1 ZINC001262482881 1041700073 /nfs/dbraw/zinc/70/00/73/1041700073.db2.gz OUYYXAQHPTUFAP-FCGDIQPGSA-N 1 3 356.514 2.611 20 0 FFADHO C[C@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1ccc(F)cc1F ZINC001215414347 1041774856 /nfs/dbraw/zinc/77/48/56/1041774856.db2.gz UMCHKSLWCBPACO-QWQRMKEZSA-N 1 3 365.468 2.804 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1ccc(Cl)cc1Cl ZINC001215458915 1041791270 /nfs/dbraw/zinc/79/12/70/1041791270.db2.gz PNJIYODUBGZXOP-MLGOLLRUSA-N 1 3 358.313 2.882 20 0 FFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1 ZINC001215536181 1041817944 /nfs/dbraw/zinc/81/79/44/1041817944.db2.gz LCTMTOHXXUXWOO-SFHLNBCPSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2c(F)cccc2F)C1)N(C)C ZINC001215571471 1041830938 /nfs/dbraw/zinc/83/09/38/1041830938.db2.gz OQUHJSLSPUDICZ-ZMYBRWDISA-N 1 3 367.484 2.674 20 0 FFADHO CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778521 1041879864 /nfs/dbraw/zinc/87/98/64/1041879864.db2.gz PYWPTVHGWCKNGB-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](OC)C2CCC2)C1 ZINC001215973229 1041920850 /nfs/dbraw/zinc/92/08/50/1041920850.db2.gz YEGHOMXPOXHLEQ-RLLQIKCJSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC001215972975 1041921228 /nfs/dbraw/zinc/92/12/28/1041921228.db2.gz JFOBFYOFRUZQBH-CEXWTWQISA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001215999188 1041927832 /nfs/dbraw/zinc/92/78/32/1041927832.db2.gz UIMPHLBUOJVLKV-LVCYWYKZSA-N 1 3 357.542 2.570 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001216002545 1041928308 /nfs/dbraw/zinc/92/83/08/1041928308.db2.gz UVDBMQDIMFBQGW-SLYNCCJLSA-N 1 3 357.542 2.885 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001216510879 1042045213 /nfs/dbraw/zinc/04/52/13/1042045213.db2.gz BVCORRDBVLQBPD-ZNZDAUKMSA-N 1 3 365.468 2.730 20 0 FFADHO CCOc1ccccc1[C@H](N)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001263092695 1042097842 /nfs/dbraw/zinc/09/78/42/1042097842.db2.gz BKEKHSKTZGJBQC-UYAOXDASSA-N 1 3 367.493 2.866 20 0 FFADHO CCOc1ccccc1[C@H](N)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263092695 1042097848 /nfs/dbraw/zinc/09/78/48/1042097848.db2.gz BKEKHSKTZGJBQC-UYAOXDASSA-N 1 3 367.493 2.866 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)c2ncoc2C2CC[NH2+]CC2)N(C)C)cc1 ZINC001263093290 1042098423 /nfs/dbraw/zinc/09/84/23/1042098423.db2.gz VYVKYWNUUZALTL-GOSISDBHSA-N 1 3 370.497 2.737 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)C[N@@H+]2C1 ZINC001263860665 1042498796 /nfs/dbraw/zinc/49/87/96/1042498796.db2.gz BWUVIFDVASDPBV-QMMLZNLJSA-N 1 3 370.541 2.530 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC3CCN(Cc4ccncc4)CC3)C[N@H+]2C1 ZINC001263860665 1042498800 /nfs/dbraw/zinc/49/88/00/1042498800.db2.gz BWUVIFDVASDPBV-QMMLZNLJSA-N 1 3 370.541 2.530 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1)N(C)C ZINC001263906240 1042523429 /nfs/dbraw/zinc/52/34/29/1042523429.db2.gz CQQCRUILTPGEHC-FDQGKXFDSA-N 1 3 353.457 2.680 20 0 FFADHO C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1)N1CCCCCC1 ZINC001263921580 1042533545 /nfs/dbraw/zinc/53/35/45/1042533545.db2.gz YFRYTJHMEYAXAA-WSTZPKSXSA-N 1 3 358.530 2.721 20 0 FFADHO CC(C)Oc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001264301650 1042662149 /nfs/dbraw/zinc/66/21/49/1042662149.db2.gz SCNWXFGSXXTURR-IEBWSBKVSA-N 1 3 361.530 2.751 20 0 FFADHO Cc1cc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)cc(C)c1F ZINC001279150538 1042920989 /nfs/dbraw/zinc/92/09/89/1042920989.db2.gz LNHYGXAWRQJUOA-UHFFFAOYSA-N 1 3 361.505 2.819 20 0 FFADHO Nc1nccnc1CN1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279185488 1042936949 /nfs/dbraw/zinc/93/69/49/1042936949.db2.gz QVSASUSLZRQHPH-OKILXGFUSA-N 1 3 357.424 2.545 20 0 FFADHO Nc1nccnc1CN1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279185488 1042936951 /nfs/dbraw/zinc/93/69/51/1042936951.db2.gz QVSASUSLZRQHPH-OKILXGFUSA-N 1 3 357.424 2.545 20 0 FFADHO COc1cc(CN[C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)ccc1C ZINC001279229979 1042956176 /nfs/dbraw/zinc/95/61/76/1042956176.db2.gz SGERGPAEVFVZJL-LEWJYISDSA-N 1 3 359.514 2.616 20 0 FFADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cccc(C(C)(C)C)c4)CC3)[C@H]2C1 ZINC001279366101 1043030065 /nfs/dbraw/zinc/03/00/65/1043030065.db2.gz QZXILEAIFJOKHJ-OALUTQOASA-N 1 3 355.526 2.626 20 0 FFADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cccc(C(C)(C)C)c4)CC3)[C@H]2C1 ZINC001279366101 1043030069 /nfs/dbraw/zinc/03/00/69/1043030069.db2.gz QZXILEAIFJOKHJ-OALUTQOASA-N 1 3 355.526 2.626 20 0 FFADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cccc(C(C)(C)C)c4)CC3)[C@@H]2C1 ZINC001279366102 1043030353 /nfs/dbraw/zinc/03/03/53/1043030353.db2.gz QZXILEAIFJOKHJ-RTBURBONSA-N 1 3 355.526 2.626 20 0 FFADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cccc(C(C)(C)C)c4)CC3)[C@@H]2C1 ZINC001279366102 1043030357 /nfs/dbraw/zinc/03/03/57/1043030357.db2.gz QZXILEAIFJOKHJ-RTBURBONSA-N 1 3 355.526 2.626 20 0 FFADHO C[C@@H]1C[C@H]([NH3+])CN1Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001237204640 1043051279 /nfs/dbraw/zinc/05/12/79/1043051279.db2.gz QZGQSAFIBLEHFF-KNQAVFIVSA-N 1 3 364.537 2.930 20 0 FFADHO CCn1ccnc1C[N@@H+]1CCC2(C1)CCN(Cc1ncccc1F)CC2 ZINC001279414751 1043082394 /nfs/dbraw/zinc/08/23/94/1043082394.db2.gz QDSAAOALRCLHOX-UHFFFAOYSA-N 1 3 357.477 2.925 20 0 FFADHO CCn1ccnc1C[N@H+]1CCC2(C1)CCN(Cc1ncccc1F)CC2 ZINC001279414751 1043082398 /nfs/dbraw/zinc/08/23/98/1043082398.db2.gz QDSAAOALRCLHOX-UHFFFAOYSA-N 1 3 357.477 2.925 20 0 FFADHO CCn1ccnc1CN1CCC2(C1)CC[NH+](Cc1ncccc1F)CC2 ZINC001279414751 1043082400 /nfs/dbraw/zinc/08/24/00/1043082400.db2.gz QDSAAOALRCLHOX-UHFFFAOYSA-N 1 3 357.477 2.925 20 0 FFADHO CC(C)NC(=O)N1CC[C@H]2C[N@@H+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001279457354 1043137114 /nfs/dbraw/zinc/13/71/14/1043137114.db2.gz UMLXSIUQGFVRAX-IYBDPMFKSA-N 1 3 355.486 2.825 20 0 FFADHO CC(C)NC(=O)N1CC[C@H]2C[N@H+](Cc3cc4cnccc4[nH]3)C[C@H]2CC1 ZINC001279457354 1043137123 /nfs/dbraw/zinc/13/71/23/1043137123.db2.gz UMLXSIUQGFVRAX-IYBDPMFKSA-N 1 3 355.486 2.825 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cncc(-c3ccccc3)c2)CCC12C[NH2+]C2 ZINC001237431187 1043156361 /nfs/dbraw/zinc/15/63/61/1043156361.db2.gz ODKVBKFXIBOEQF-FQEVSTJZSA-N 1 3 365.477 2.723 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CC3(CN(CCc4c[nH]c5ccccc45)C3)C2)C1 ZINC001279502778 1043197255 /nfs/dbraw/zinc/19/72/55/1043197255.db2.gz WXKFFWVOVSTYRM-GOSISDBHSA-N 1 3 352.526 2.670 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CC3(CN(CCc4c[nH]c5ccccc45)C3)C2)C1 ZINC001279502778 1043197261 /nfs/dbraw/zinc/19/72/61/1043197261.db2.gz WXKFFWVOVSTYRM-GOSISDBHSA-N 1 3 352.526 2.670 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccn1Cc1ccccc1 ZINC001279565194 1043265458 /nfs/dbraw/zinc/26/54/58/1043265458.db2.gz ZBUQNQIWLGBOQA-VXKWHMMOSA-N 1 3 352.526 2.747 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccn1Cc1ccccc1 ZINC001279565194 1043265460 /nfs/dbraw/zinc/26/54/60/1043265460.db2.gz ZBUQNQIWLGBOQA-VXKWHMMOSA-N 1 3 352.526 2.747 20 0 FFADHO Cc1cccc(F)c1C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001279606492 1043331168 /nfs/dbraw/zinc/33/11/68/1043331168.db2.gz OSNMVXWKPZKHRR-UHFFFAOYSA-N 1 3 361.505 2.900 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1CCC2(CN(CCC3CC[NH+](C)CC3)C2)C1 ZINC001279636717 1043378224 /nfs/dbraw/zinc/37/82/24/1043378224.db2.gz RKYCTVOHWWZFAO-HXUWFJFHSA-N 1 3 357.542 2.775 20 0 FFADHO Clc1cncc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279641794 1043386691 /nfs/dbraw/zinc/38/66/91/1043386691.db2.gz RYTCWRHHUIKJGD-HDICACEKSA-N 1 3 359.905 2.776 20 0 FFADHO Clc1cncc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279641794 1043386705 /nfs/dbraw/zinc/38/67/05/1043386705.db2.gz RYTCWRHHUIKJGD-HDICACEKSA-N 1 3 359.905 2.776 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]2CC1 ZINC001279677858 1043452605 /nfs/dbraw/zinc/45/26/05/1043452605.db2.gz RHNOUDSCODUYSW-OYRHEFFESA-N 1 3 355.526 2.796 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]2CC1 ZINC001279677858 1043452611 /nfs/dbraw/zinc/45/26/11/1043452611.db2.gz RHNOUDSCODUYSW-OYRHEFFESA-N 1 3 355.526 2.796 20 0 FFADHO C[C@@H]1C[C@@H]1CN1CCC([NH+]2CCC(C(=O)N3CCCC34CC4)CC2)CC1 ZINC001279826279 1043723360 /nfs/dbraw/zinc/72/33/60/1043723360.db2.gz KLZJAFONPWMTBX-IEBWSBKVSA-N 1 3 359.558 2.974 20 0 FFADHO CC[C@H](C)c1nn(C)cc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279974356 1044015727 /nfs/dbraw/zinc/01/57/27/1044015727.db2.gz PPBZYSWTYFTULG-SFHVURJKSA-N 1 3 361.578 2.783 20 0 FFADHO CC[C@H](C)c1nn(C)cc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279974356 1044015735 /nfs/dbraw/zinc/01/57/35/1044015735.db2.gz PPBZYSWTYFTULG-SFHVURJKSA-N 1 3 361.578 2.783 20 0 FFADHO CC[NH+](CC)CCn1cc(-c2cccc3cc([C@@H]4CNCCO4)cn32)cn1 ZINC001239210287 1044070710 /nfs/dbraw/zinc/07/07/10/1044070710.db2.gz XRLDRSFIZKVMAL-NRFANRHFSA-N 1 3 367.497 2.806 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Cl)c(Cl)c1 ZINC001239216264 1044073106 /nfs/dbraw/zinc/07/31/06/1044073106.db2.gz NFUBAXVYFKCSEY-LBPRGKRZSA-N 1 3 357.285 2.989 20 0 FFADHO NCCC[NH2+]CCCNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC001239396936 1044111688 /nfs/dbraw/zinc/11/16/88/1044111688.db2.gz RCFSLAHGHBCUFC-UHFFFAOYSA-N 1 3 368.856 2.974 20 0 FFADHO CS(=O)(=O)c1cccc(-c2ccccc2CN2CCC(C[NH3+])CC2)c1 ZINC001239836492 1044173770 /nfs/dbraw/zinc/17/37/70/1044173770.db2.gz UGBMENRGMVFBHL-UHFFFAOYSA-N 1 3 358.507 2.928 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001280124953 1044260176 /nfs/dbraw/zinc/26/01/76/1044260176.db2.gz BJFNIDOTKFISHL-AYHJJNSGSA-N 1 3 354.498 2.539 20 0 FFADHO Cc1nc2ccccn2c(=O)c1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001280124953 1044260183 /nfs/dbraw/zinc/26/01/83/1044260183.db2.gz BJFNIDOTKFISHL-AYHJJNSGSA-N 1 3 354.498 2.539 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001313450334 1044366628 /nfs/dbraw/zinc/36/66/28/1044366628.db2.gz WVLYXTXNTPYUCJ-IBGZPJMESA-N 1 3 374.577 2.808 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC001313450334 1044366645 /nfs/dbraw/zinc/36/66/45/1044366645.db2.gz WVLYXTXNTPYUCJ-IBGZPJMESA-N 1 3 374.577 2.808 20 0 FFADHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)Nc3nccn3C)CC2)CC1 ZINC001280246720 1044462952 /nfs/dbraw/zinc/46/29/52/1044462952.db2.gz AVMQZTSQKCVBAF-INIZCTEOSA-N 1 3 361.534 2.581 20 0 FFADHO c1[nH]c2ccccc2c1CCN1CC2(C1)CN(CC[NH+]1CCCCC1)C2 ZINC001280262149 1044493915 /nfs/dbraw/zinc/49/39/15/1044493915.db2.gz LNOBDBIFCICVDW-UHFFFAOYSA-N 1 3 352.526 2.814 20 0 FFADHO C[C@H](C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1)CC(F)(F)F ZINC001280267720 1044503707 /nfs/dbraw/zinc/50/37/07/1044503707.db2.gz ARQLXGCKGOYPOR-HNNXBMFYSA-N 1 3 363.468 2.841 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC001318721815 1044838124 /nfs/dbraw/zinc/83/81/24/1044838124.db2.gz BYBZULMNBSXROI-SFTDATJTSA-N 1 3 370.541 2.703 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC001318721815 1044838148 /nfs/dbraw/zinc/83/81/48/1044838148.db2.gz BYBZULMNBSXROI-SFTDATJTSA-N 1 3 370.541 2.703 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC001319087088 1045018686 /nfs/dbraw/zinc/01/86/86/1045018686.db2.gz UITZWEHZKXPNFO-MISYRCLQSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC001319087088 1045018696 /nfs/dbraw/zinc/01/86/96/1045018696.db2.gz UITZWEHZKXPNFO-MISYRCLQSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cc3ccccc3o2)C2CC2)CC[N@@H+]1C ZINC001317012466 1045049395 /nfs/dbraw/zinc/04/93/95/1045049395.db2.gz ITUBOTQMHAGTEQ-ZMYBRWDISA-N 1 3 355.482 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cc3ccccc3o2)C2CC2)CC[N@H+]1C ZINC001317012466 1045049408 /nfs/dbraw/zinc/04/94/08/1045049408.db2.gz ITUBOTQMHAGTEQ-ZMYBRWDISA-N 1 3 355.482 2.757 20 0 FFADHO COc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2OC)cc1CN(C)C ZINC001244290472 1045124861 /nfs/dbraw/zinc/12/48/61/1045124861.db2.gz JSFYFVTVKOJSTC-UHFFFAOYSA-N 1 3 355.482 2.842 20 0 FFADHO OCc1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1OC(F)(F)F ZINC001244648085 1045173535 /nfs/dbraw/zinc/17/35/35/1045173535.db2.gz ICAUFJCZTJRKKZ-UHFFFAOYSA-N 1 3 353.344 2.549 20 0 FFADHO CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC001318339324 1045275229 /nfs/dbraw/zinc/27/52/29/1045275229.db2.gz RCBAHXNUJNBLBJ-LJQANCHMSA-N 1 3 358.530 2.626 20 0 FFADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC001323395498 1045574410 /nfs/dbraw/zinc/57/44/10/1045574410.db2.gz BRULTCGOMPWEOB-BBRMVZONSA-N 1 3 357.420 2.755 20 0 FFADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC001323395498 1045574422 /nfs/dbraw/zinc/57/44/22/1045574422.db2.gz BRULTCGOMPWEOB-BBRMVZONSA-N 1 3 357.420 2.755 20 0 FFADHO CN1CCN(Cc2cccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)c2)CC1 ZINC001326039630 1046739212 /nfs/dbraw/zinc/73/92/12/1046739212.db2.gz SINJFHHCNCVZGZ-VXKWHMMOSA-N 1 3 350.510 2.668 20 0 FFADHO [NH3+]Cc1ccccc1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001326676333 1047031189 /nfs/dbraw/zinc/03/11/89/1047031189.db2.gz RICIRXAUGLFSFG-IBGZPJMESA-N 1 3 355.457 2.813 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001540387485 1070868324 /nfs/dbraw/zinc/86/83/24/1070868324.db2.gz KNOQFBOMLZDWKB-QHAWAJNXSA-N 1 3 351.494 2.751 20 0 FFADHO CN(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001540387485 1070868348 /nfs/dbraw/zinc/86/83/48/1070868348.db2.gz KNOQFBOMLZDWKB-QHAWAJNXSA-N 1 3 351.494 2.751 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329235978 1048627594 /nfs/dbraw/zinc/62/75/94/1048627594.db2.gz JEAXSIBBMHXPQZ-SFHVURJKSA-N 1 3 355.507 2.961 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001329441041 1048720752 /nfs/dbraw/zinc/72/07/52/1048720752.db2.gz MDPLEJVWGVUUTK-JJRVBVJISA-N 1 3 371.447 2.982 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001329441041 1048720761 /nfs/dbraw/zinc/72/07/61/1048720761.db2.gz MDPLEJVWGVUUTK-JJRVBVJISA-N 1 3 371.447 2.982 20 0 FFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001316660466 1050076172 /nfs/dbraw/zinc/07/61/72/1050076172.db2.gz PQKUWFAJWUNXKO-RIFZZMRRSA-N 1 3 361.505 2.850 20 0 FFADHO [NH3+][C@H]1CCOC2(CC(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC001341663070 1050287481 /nfs/dbraw/zinc/28/74/81/1050287481.db2.gz PCIDVNIZGSHSOL-LNSLMDJYSA-N 1 3 371.525 2.616 20 0 FFADHO CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001340232027 1050639342 /nfs/dbraw/zinc/63/93/42/1050639342.db2.gz DAJSSNBVYKNQLC-IPELMVKDSA-N 1 3 374.529 2.555 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001342111706 1050707254 /nfs/dbraw/zinc/70/72/54/1050707254.db2.gz ATHDMTLKIHIHMM-PCCBWWKXSA-N 1 3 370.541 2.578 20 0 FFADHO O=C(c1ccc(CN2CCCC2)o1)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001301670315 1050952065 /nfs/dbraw/zinc/95/20/65/1050952065.db2.gz KFHRWHXKCKSOFK-SFHVURJKSA-N 1 3 371.456 2.671 20 0 FFADHO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001301670315 1050952077 /nfs/dbraw/zinc/95/20/77/1050952077.db2.gz KFHRWHXKCKSOFK-SFHVURJKSA-N 1 3 371.456 2.671 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](OCC)C1 ZINC001316686387 1051139052 /nfs/dbraw/zinc/13/90/52/1051139052.db2.gz LVBABRFHZLLBHE-CEXWTWQISA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1cc2n(n1)CCC[C@H]2[NH3+])c1ccsc1 ZINC001340808921 1051153576 /nfs/dbraw/zinc/15/35/76/1051153576.db2.gz PYBZNPMKQGXCCW-RHSMWYFYSA-N 1 3 361.515 2.551 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)C1(C2CC[NH2+]CC2)CC1 ZINC001340842739 1051181484 /nfs/dbraw/zinc/18/14/84/1051181484.db2.gz DNZRSEFVAMZLHS-UHFFFAOYSA-N 1 3 371.525 2.609 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001343438625 1052232980 /nfs/dbraw/zinc/23/29/80/1052232980.db2.gz GJVVTXSJEUUEAO-HXUWFJFHSA-N 1 3 365.477 2.515 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001343438625 1052232985 /nfs/dbraw/zinc/23/29/85/1052232985.db2.gz GJVVTXSJEUUEAO-HXUWFJFHSA-N 1 3 365.477 2.515 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC001308330875 1052446856 /nfs/dbraw/zinc/44/68/56/1052446856.db2.gz PNRCPQGAXDHEPO-WOJBJXKFSA-N 1 3 354.498 2.853 20 0 FFADHO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(C)C(C)(C)C2)ccc1S(C)(=O)=O ZINC001308552085 1052468896 /nfs/dbraw/zinc/46/88/96/1052468896.db2.gz PWOYPUCDKRDJKV-UKRRQHHQSA-N 1 3 354.516 2.622 20 0 FFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(N(C)CCCO)CC1 ZINC001308624624 1052478553 /nfs/dbraw/zinc/47/85/53/1052478553.db2.gz RVWABEPVABUNBH-KRWDZBQOSA-N 1 3 371.566 2.562 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](c4ccc(F)cc4)CC3=O)C[C@@H]2C1 ZINC001335251903 1053270748 /nfs/dbraw/zinc/27/07/48/1053270748.db2.gz HACLAJGZZIICFE-AJYBTWMASA-N 1 3 359.489 2.761 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001335361856 1053315086 /nfs/dbraw/zinc/31/50/86/1053315086.db2.gz USNMZIJMDDJZAG-LJQANCHMSA-N 1 3 356.514 2.655 20 0 FFADHO CN1CCN(Cc2ccc(-c3nc([C@@H](N)c4ccccc4)no3)cc2)CC1 ZINC001349303669 1055180185 /nfs/dbraw/zinc/18/01/85/1055180185.db2.gz ZVOFFADETJFYEQ-IBGZPJMESA-N 1 3 363.465 2.532 20 0 FFADHO C[NH+]1CCN(Cc2ccc(-c3nc([C@@H](N)c4ccccc4)no3)cc2)CC1 ZINC001349303669 1055180194 /nfs/dbraw/zinc/18/01/94/1055180194.db2.gz ZVOFFADETJFYEQ-IBGZPJMESA-N 1 3 363.465 2.532 20 0 FFADHO CN1CC[NH+](Cc2ccc(-c3nc([C@@H](N)c4ccccc4)no3)cc2)CC1 ZINC001349303669 1055180198 /nfs/dbraw/zinc/18/01/98/1055180198.db2.gz ZVOFFADETJFYEQ-IBGZPJMESA-N 1 3 363.465 2.532 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001349354171 1055204391 /nfs/dbraw/zinc/20/43/91/1055204391.db2.gz CJOKWNCXCAQAME-IGGJEDBVSA-N 1 3 370.541 2.844 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001349354171 1055204396 /nfs/dbraw/zinc/20/43/96/1055204396.db2.gz CJOKWNCXCAQAME-IGGJEDBVSA-N 1 3 370.541 2.844 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@@H](O)CC1(O)CCCC1)c1ccccc1O2 ZINC001338448832 1055524611 /nfs/dbraw/zinc/52/46/11/1055524611.db2.gz IQQFSQJWYDMYBM-HKUYNNGSSA-N 1 3 374.525 2.620 20 0 FFADHO CC(C)(CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCCCC1 ZINC000849055476 1055607040 /nfs/dbraw/zinc/60/70/40/1055607040.db2.gz BMKSJTNUFXTJEH-UHFFFAOYSA-N 1 3 361.509 2.737 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001338884517 1055902714 /nfs/dbraw/zinc/90/27/14/1055902714.db2.gz CFEJKVOURVZIQM-SLFFLAALSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001350842716 1055965080 /nfs/dbraw/zinc/96/50/80/1055965080.db2.gz PWBISAYTYVCSBC-CEXWTWQISA-N 1 3 374.577 2.715 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C)C3)n2C)C1 ZINC001350842716 1055965093 /nfs/dbraw/zinc/96/50/93/1055965093.db2.gz PWBISAYTYVCSBC-CEXWTWQISA-N 1 3 374.577 2.715 20 0 FFADHO [NH2+]=C(NC[C@@H](CO)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849100432 1056758734 /nfs/dbraw/zinc/75/87/34/1056758734.db2.gz WITGSSALANUILM-FQEVSTJZSA-N 1 3 366.509 2.541 20 0 FFADHO Cc1cc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc(C)n1 ZINC000849118136 1056771675 /nfs/dbraw/zinc/77/16/75/1056771675.db2.gz LWRUKUCMNRHNHM-UHFFFAOYSA-N 1 3 351.498 2.977 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)C)n2CCN2CC=CCC2)C1 ZINC001501926415 1058740840 /nfs/dbraw/zinc/74/08/40/1058740840.db2.gz SWSNEJAFBFVJDW-LJQANCHMSA-N 1 3 374.577 2.832 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001507079337 1059595577 /nfs/dbraw/zinc/59/55/77/1059595577.db2.gz KEVQVJLSHVXRME-NZSAHSFTSA-N 1 3 361.530 2.670 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2cc(C)ccc2OC)CC[N@H+]1C ZINC001507079337 1059595594 /nfs/dbraw/zinc/59/55/94/1059595594.db2.gz KEVQVJLSHVXRME-NZSAHSFTSA-N 1 3 361.530 2.670 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001515802070 1059801320 /nfs/dbraw/zinc/80/13/20/1059801320.db2.gz KOSLVYFJXKNSLF-IRXDYDNUSA-N 1 3 350.555 2.661 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001515802070 1059801348 /nfs/dbraw/zinc/80/13/48/1059801348.db2.gz KOSLVYFJXKNSLF-IRXDYDNUSA-N 1 3 350.555 2.661 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001509424188 1060079923 /nfs/dbraw/zinc/07/99/23/1060079923.db2.gz CYBWORBLBAHMBD-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CCC3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001509424188 1060079946 /nfs/dbraw/zinc/07/99/46/1060079946.db2.gz CYBWORBLBAHMBD-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001521469277 1060605854 /nfs/dbraw/zinc/60/58/54/1060605854.db2.gz GJKDKTPAHPOMCA-NRFANRHFSA-N 1 3 361.530 2.841 20 0 FFADHO C[C@H]1C[C@H](NC(=O)c2cccc3c2OCCNC3)C[N@@H+]1Cc1ccccc1 ZINC001521496535 1060619816 /nfs/dbraw/zinc/61/98/16/1060619816.db2.gz VXHINEFGPZPMJJ-LPHOPBHVSA-N 1 3 365.477 2.561 20 0 FFADHO C[C@H]1C[C@H](NC(=O)c2cccc3c2OCCNC3)C[N@H+]1Cc1ccccc1 ZINC001521496535 1060619821 /nfs/dbraw/zinc/61/98/21/1060619821.db2.gz VXHINEFGPZPMJJ-LPHOPBHVSA-N 1 3 365.477 2.561 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCCC34CCOCC4)CC2)CC1 ZINC001459923220 1060849061 /nfs/dbraw/zinc/84/90/61/1060849061.db2.gz LCRBGEBQHIKINH-FQEVSTJZSA-N 1 3 363.590 2.933 20 0 FFADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC001477299214 1061661847 /nfs/dbraw/zinc/66/18/47/1061661847.db2.gz LDJQNWGHYSIYCH-UHFFFAOYSA-N 1 3 360.546 2.664 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CC2)N(C)C)cc1 ZINC001477892335 1061831410 /nfs/dbraw/zinc/83/14/10/1061831410.db2.gz FNGZUBYODQRLFQ-HXUWFJFHSA-N 1 3 360.546 2.881 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC001477892335 1061831423 /nfs/dbraw/zinc/83/14/23/1061831423.db2.gz FNGZUBYODQRLFQ-HXUWFJFHSA-N 1 3 360.546 2.881 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)cc1 ZINC001528401025 1061893579 /nfs/dbraw/zinc/89/35/79/1061893579.db2.gz MODKYDMXJJHODR-NFBUACBFSA-N 1 3 359.514 2.535 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)cc1 ZINC001528401025 1061893592 /nfs/dbraw/zinc/89/35/92/1061893592.db2.gz MODKYDMXJJHODR-NFBUACBFSA-N 1 3 359.514 2.535 20 0 FFADHO Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)sc1C ZINC001479455013 1062422655 /nfs/dbraw/zinc/42/26/55/1062422655.db2.gz UZHCCIXVODVNLO-JKSUJKDBSA-N 1 3 364.559 2.619 20 0 FFADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCc3ccccc3F)C2)CCC1 ZINC001479454777 1062423037 /nfs/dbraw/zinc/42/30/37/1062423037.db2.gz QPWCFXVSJPUBAX-FUHWJXTLSA-N 1 3 361.505 2.727 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1)CC(C)(C)C ZINC001479476763 1062454671 /nfs/dbraw/zinc/45/46/71/1062454671.db2.gz XDOCBZCYZKBIQZ-RCCFBDPRSA-N 1 3 367.578 2.654 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001442732624 1063560315 /nfs/dbraw/zinc/56/03/15/1063560315.db2.gz YPCZUGMPJBDQBL-ZWKOTPCHSA-N 1 3 351.922 2.961 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001442732624 1063560323 /nfs/dbraw/zinc/56/03/23/1063560323.db2.gz YPCZUGMPJBDQBL-ZWKOTPCHSA-N 1 3 351.922 2.961 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC001469895029 1064225147 /nfs/dbraw/zinc/22/51/47/1064225147.db2.gz KLVJEVTXNPZGJE-LEWJYISDSA-N 1 3 355.526 2.779 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC001469895029 1064225152 /nfs/dbraw/zinc/22/51/52/1064225152.db2.gz KLVJEVTXNPZGJE-LEWJYISDSA-N 1 3 355.526 2.779 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001470027034 1064246660 /nfs/dbraw/zinc/24/66/60/1064246660.db2.gz XTIRODXPCQNVNS-GJZGRUSLSA-N 1 3 351.560 2.875 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001470027034 1064246670 /nfs/dbraw/zinc/24/66/70/1064246670.db2.gz XTIRODXPCQNVNS-GJZGRUSLSA-N 1 3 351.560 2.875 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCN1C ZINC001471393660 1064661139 /nfs/dbraw/zinc/66/11/39/1064661139.db2.gz AYCUEZYTCSMHEC-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCN1C ZINC001471393660 1064661146 /nfs/dbraw/zinc/66/11/46/1064661146.db2.gz AYCUEZYTCSMHEC-PXNSSMCTSA-N 1 3 358.530 2.633 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001472135366 1064949209 /nfs/dbraw/zinc/94/92/09/1064949209.db2.gz YQWSXMNEJRAZBS-NRFANRHFSA-N 1 3 373.541 2.610 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001472135366 1064949214 /nfs/dbraw/zinc/94/92/14/1064949214.db2.gz YQWSXMNEJRAZBS-NRFANRHFSA-N 1 3 373.541 2.610 20 0 FFADHO CCC[NH2+]CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001577561654 1078376542 /nfs/dbraw/zinc/37/65/42/1078376542.db2.gz HEDXZAMXEOXHGQ-HOTGVXAUSA-N 1 3 374.533 2.765 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC001577684951 1078387605 /nfs/dbraw/zinc/38/76/05/1078387605.db2.gz QABDSYKAMRJPKB-SJORKVTESA-N 1 3 372.517 2.759 20 0 FFADHO CC[NH2+]CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001577857954 1078408563 /nfs/dbraw/zinc/40/85/63/1078408563.db2.gz MXJKEQWYMLHUAC-HOTGVXAUSA-N 1 3 374.508 2.613 20 0 FFADHO CN(C(=O)NC[C@H]1CCCCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001578380971 1078467309 /nfs/dbraw/zinc/46/73/09/1078467309.db2.gz JOQZOFVCOTYXCY-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc3c(c2)CNC3)c1 ZINC001579277635 1078608798 /nfs/dbraw/zinc/60/87/98/1078608798.db2.gz IOHXZDPAIUHPCL-UHFFFAOYSA-N 1 3 353.466 2.502 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]Cc3cccc(OC(F)F)c3)c2)nn1 ZINC001580349246 1078789895 /nfs/dbraw/zinc/78/98/95/1078789895.db2.gz OOZVETUMEWCYEI-UHFFFAOYSA-N 1 3 359.380 2.617 20 0 FFADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC001550100293 1074144361 /nfs/dbraw/zinc/14/43/61/1074144361.db2.gz ZUOFOQMUORUMLT-NHCUHLMSSA-N 1 3 364.493 2.652 20 0 FFADHO Cc1ccnc(-c2noc(CC3CCN(C[C@H]4C[NH2+]C[C@H]4C)CC3)n2)c1 ZINC001550352829 1074224711 /nfs/dbraw/zinc/22/47/11/1074224711.db2.gz GPGMHSPHKCHUNU-NVXWUHKLSA-N 1 3 355.486 2.550 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550421645 1074259527 /nfs/dbraw/zinc/25/95/27/1074259527.db2.gz AJMVVZWTTNJWDT-NEPXVJNWSA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550421645 1074259530 /nfs/dbraw/zinc/25/95/30/1074259530.db2.gz AJMVVZWTTNJWDT-NEPXVJNWSA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1ccc(OC(F)F)cc1F)[C@@H](O)C2 ZINC001550422548 1074260906 /nfs/dbraw/zinc/26/09/06/1074260906.db2.gz YPIHCYNSMRNRKE-DFEOGRTESA-N 1 3 372.431 2.996 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1ccc(OC(F)F)cc1F)[C@@H](O)C2 ZINC001550422548 1074260911 /nfs/dbraw/zinc/26/09/11/1074260911.db2.gz YPIHCYNSMRNRKE-DFEOGRTESA-N 1 3 372.431 2.996 20 0 FFADHO Cn1nccc1[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001550516349 1074328019 /nfs/dbraw/zinc/32/80/19/1074328019.db2.gz GRIQJKCEBVUHLP-UXHICEINSA-N 1 3 353.514 2.953 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CCC4(C[C@H]4[NH3+])CC3)C2)cc1 ZINC001550750819 1074456123 /nfs/dbraw/zinc/45/61/23/1074456123.db2.gz MDFWGFOYCLLFAL-KYBDOYODSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CCC2(C[C@H]2[NH3+])CC1)c1ccc(Cl)cc1 ZINC001551545225 1074751710 /nfs/dbraw/zinc/75/17/10/1074751710.db2.gz CICZLSOJCXLVIK-DHADLLTHSA-N 1 3 364.921 2.902 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CN1Cc1ccccc1 ZINC001551555113 1074755614 /nfs/dbraw/zinc/75/56/14/1074755614.db2.gz ZTUCCKPIQDGWIQ-OPTGKZCPSA-N 1 3 356.514 2.609 20 0 FFADHO [NH3+][C@H]1CC12CCC(NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)CC2 ZINC001551577017 1074761478 /nfs/dbraw/zinc/76/14/78/1074761478.db2.gz RHHGYVNYAKJZIK-JMDAGXMHSA-N 1 3 356.514 2.783 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](NCc1cnn3c1C[N@H+](C)CC3)CCCC2 ZINC001552756089 1075139934 /nfs/dbraw/zinc/13/99/34/1075139934.db2.gz JJSOVAWKCUSGHD-SFHVURJKSA-N 1 3 370.497 2.903 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](NCc1cnn3c1C[N@@H+](C)CC3)CCCC2 ZINC001552756089 1075139935 /nfs/dbraw/zinc/13/99/35/1075139935.db2.gz JJSOVAWKCUSGHD-SFHVURJKSA-N 1 3 370.497 2.903 20 0 FFADHO O=S1(=O)CC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c2ccccc21 ZINC001553025665 1075201158 /nfs/dbraw/zinc/20/11/58/1075201158.db2.gz MAJYRYFSEDCZKU-NZSAHSFTSA-N 1 3 362.539 2.706 20 0 FFADHO COc1ccc(NC(=O)CCN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001560108812 1076229055 /nfs/dbraw/zinc/22/90/55/1076229055.db2.gz MLYZPYBRQJFPSE-INIZCTEOSA-N 1 3 354.454 2.630 20 0 FFADHO CC(C)CC[NH+]1CCC(NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC001560847648 1076303922 /nfs/dbraw/zinc/30/39/22/1076303922.db2.gz QVNXAMFCIZJWIW-JOCHJYFZSA-N 1 3 359.558 2.506 20 0 FFADHO CC(C)COCCN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001566115695 1076920248 /nfs/dbraw/zinc/92/02/48/1076920248.db2.gz ZBWLNUBJNPOYDV-XLIONFOSSA-N 1 3 361.530 2.613 20 0 FFADHO C[C@H]1CN(Cc2ccc(-c3cnn(C)c3)s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374996388 512111886 /nfs/dbraw/zinc/11/18/86/512111886.db2.gz PNXXSPPQBCKFNT-LPHOPBHVSA-N 1 3 373.570 2.606 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000093120560 250016512 /nfs/dbraw/zinc/01/65/12/250016512.db2.gz HJTFSQOXTDIWFV-UHFFFAOYSA-N 1 3 373.545 2.718 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093136439 250019384 /nfs/dbraw/zinc/01/93/84/250019384.db2.gz IUEOMKWSQKNCKH-LJQANCHMSA-N 1 3 373.545 2.575 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093136439 250019389 /nfs/dbraw/zinc/01/93/89/250019389.db2.gz IUEOMKWSQKNCKH-LJQANCHMSA-N 1 3 373.545 2.575 20 0 FFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)Cc1ccc(C(N)=O)cc1 ZINC000092821251 250006271 /nfs/dbraw/zinc/00/62/71/250006271.db2.gz DDORDGBMUZJVHR-UHFFFAOYSA-N 1 3 352.482 2.919 20 0 FFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)Cc1ccc(C(N)=O)cc1 ZINC000092821251 250006274 /nfs/dbraw/zinc/00/62/74/250006274.db2.gz DDORDGBMUZJVHR-UHFFFAOYSA-N 1 3 352.482 2.919 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000098173255 250072110 /nfs/dbraw/zinc/07/21/10/250072110.db2.gz LGWQFTMJKACHEM-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000098173255 250072115 /nfs/dbraw/zinc/07/21/15/250072115.db2.gz LGWQFTMJKACHEM-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000098173255 250072121 /nfs/dbraw/zinc/07/21/21/250072121.db2.gz LGWQFTMJKACHEM-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)Cc3ccccc3)CC2)CC1 ZINC000117774872 250360447 /nfs/dbraw/zinc/36/04/47/250360447.db2.gz HXNJKCAPEILEDB-UHFFFAOYSA-N 1 3 357.542 2.930 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000153590815 251152968 /nfs/dbraw/zinc/15/29/68/251152968.db2.gz HNJNWLRSMDEXDJ-RPCCPQHDSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000153590815 251152970 /nfs/dbraw/zinc/15/29/70/251152970.db2.gz HNJNWLRSMDEXDJ-RPCCPQHDSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C ZINC000173568394 251208218 /nfs/dbraw/zinc/20/82/18/251208218.db2.gz BBUJTJPALJOHEQ-FXAWDEMLSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000175505284 251220824 /nfs/dbraw/zinc/22/08/24/251220824.db2.gz WLQCQWSQHNQGJS-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000267372935 251337634 /nfs/dbraw/zinc/33/76/34/251337634.db2.gz KKLBXKKAMCQCQM-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)N1CCN(C)CC1 ZINC000268785834 251383740 /nfs/dbraw/zinc/38/37/40/251383740.db2.gz VNRVCKJHBOVOHA-PUHATCMVSA-N 1 3 372.601 2.901 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272319563 252007829 /nfs/dbraw/zinc/00/78/29/252007829.db2.gz TZFWHESPMJQKJS-PKOBYXMFSA-N 1 3 374.529 2.965 20 0 FFADHO CCN1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272491027 252051553 /nfs/dbraw/zinc/05/15/53/252051553.db2.gz WAWYIXNIXMEGLS-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272491027 252051555 /nfs/dbraw/zinc/05/15/55/252051555.db2.gz WAWYIXNIXMEGLS-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO CNC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000272575950 252072457 /nfs/dbraw/zinc/07/24/57/252072457.db2.gz PRXKFIWBDULJJT-SSXNTNPLSA-N 1 3 355.526 2.791 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272688949 252102090 /nfs/dbraw/zinc/10/20/90/252102090.db2.gz CABXEJHOWLRHBO-ICSRJNTNSA-N 1 3 370.541 2.501 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272688949 252102095 /nfs/dbraw/zinc/10/20/95/252102095.db2.gz CABXEJHOWLRHBO-ICSRJNTNSA-N 1 3 370.541 2.501 20 0 FFADHO CS[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1[NH+]1CCCC1 ZINC000273517196 252322938 /nfs/dbraw/zinc/32/29/38/252322938.db2.gz OSNUGJYXDHQKNP-WOJBJXKFSA-N 1 3 373.566 2.934 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000276272459 256086085 /nfs/dbraw/zinc/08/60/85/256086085.db2.gz SIGMPURQMJDIPR-MSOLQXFVSA-N 1 3 358.530 2.842 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000276272459 256086086 /nfs/dbraw/zinc/08/60/86/256086086.db2.gz SIGMPURQMJDIPR-MSOLQXFVSA-N 1 3 358.530 2.842 20 0 FFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000277276588 256179595 /nfs/dbraw/zinc/17/95/95/256179595.db2.gz RYTAJYJPOSPUND-GOSISDBHSA-N 1 3 372.513 2.558 20 0 FFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000277276588 256179596 /nfs/dbraw/zinc/17/95/96/256179596.db2.gz RYTAJYJPOSPUND-GOSISDBHSA-N 1 3 372.513 2.558 20 0 FFADHO O[C@@H](CNC1CC(c2cccc(Br)c2)C1)C[NH+]1CCCC1 ZINC000277679861 256225541 /nfs/dbraw/zinc/22/55/41/256225541.db2.gz VASPATXHAFZONY-PREGVCBESA-N 1 3 353.304 2.741 20 0 FFADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1 ZINC000278348045 256302356 /nfs/dbraw/zinc/30/23/56/256302356.db2.gz ARXYUEBGFBIQSV-GOSISDBHSA-N 1 3 361.530 2.759 20 0 FFADHO C[C@H]1CN(CCC[NH2+]C2CCN(CCc3ccccc3)CC2)CCCO1 ZINC000278420160 256310203 /nfs/dbraw/zinc/31/02/03/256310203.db2.gz GBLGSTPNWMZURK-FQEVSTJZSA-N 1 3 359.558 2.784 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000278478450 256317177 /nfs/dbraw/zinc/31/71/77/256317177.db2.gz KIOBCZXPCGRKOL-TUNNFDKTSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000278486345 256317552 /nfs/dbraw/zinc/31/75/52/256317552.db2.gz KUKFCFALDMZZQY-MOPGFXCFSA-N 1 3 361.530 2.675 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000278486345 256317553 /nfs/dbraw/zinc/31/75/53/256317553.db2.gz KUKFCFALDMZZQY-MOPGFXCFSA-N 1 3 361.530 2.675 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000278486351 256317832 /nfs/dbraw/zinc/31/78/32/256317832.db2.gz KUKFCFALDMZZQY-RBUKOAKNSA-N 1 3 361.530 2.675 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000278486351 256317833 /nfs/dbraw/zinc/31/78/33/256317833.db2.gz KUKFCFALDMZZQY-RBUKOAKNSA-N 1 3 361.530 2.675 20 0 FFADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000278514775 256320906 /nfs/dbraw/zinc/32/09/06/256320906.db2.gz RVARTHLOVVXPOR-CYBMUJFWSA-N 1 3 354.491 2.754 20 0 FFADHO CC(=O)Nc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000279171398 256389289 /nfs/dbraw/zinc/38/92/89/256389289.db2.gz UTAZAPWQJATGFK-OAHLLOKOSA-N 1 3 356.470 2.831 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000286035681 257017209 /nfs/dbraw/zinc/01/72/09/257017209.db2.gz KOKKZRMCSWBRMZ-HOCLYGCPSA-N 1 3 357.420 2.723 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286205213 257025456 /nfs/dbraw/zinc/02/54/56/257025456.db2.gz RWBFHQMBWGZKSY-BZUAXINKSA-N 1 3 361.486 2.558 20 0 FFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000287307828 257082696 /nfs/dbraw/zinc/08/26/96/257082696.db2.gz NXLARMBFKLPMOK-RXVVDRJESA-N 1 3 370.541 2.919 20 0 FFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)C(C)(C)n3cncn3)CC2)cc1 ZINC000289902660 257305436 /nfs/dbraw/zinc/30/54/36/257305436.db2.gz UKAZZQIYKIYBPN-KRWDZBQOSA-N 1 3 371.529 2.912 20 0 FFADHO c1[nH]c2nccnc2c1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000290930353 257365824 /nfs/dbraw/zinc/36/58/24/257365824.db2.gz RUSBKKOJHRSUHU-UHFFFAOYSA-N 1 3 364.497 2.650 20 0 FFADHO CN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000297459388 257835361 /nfs/dbraw/zinc/83/53/61/257835361.db2.gz JZFGUTRDXHZENQ-NRFANRHFSA-N 1 3 370.541 2.919 20 0 FFADHO O=C(NCC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1Cl ZINC000298501014 257916658 /nfs/dbraw/zinc/91/66/58/257916658.db2.gz QMKIQYTUUONLQZ-UHFFFAOYSA-N 1 3 358.873 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000065470005 136136603 /nfs/dbraw/zinc/13/66/03/136136603.db2.gz VUYLMOBKRUVEDY-FQEVSTJZSA-N 1 3 367.497 2.525 20 0 FFADHO C[C@H](c1ccccc1Br)N(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753888 514274563 /nfs/dbraw/zinc/27/45/63/514274563.db2.gz FHPKTADCOSKAKD-KGLIPLIRSA-N 1 3 368.319 2.639 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cncc(Br)c2)C[C@H](C)O1 ZINC000186609234 509800366 /nfs/dbraw/zinc/80/03/66/509800366.db2.gz FQTDZTJKYTUTFY-OKILXGFUSA-N 1 3 356.308 2.823 20 0 FFADHO C[NH+]1CCC(CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000369047720 512201285 /nfs/dbraw/zinc/20/12/85/512201285.db2.gz OULBSGMOGPQWCB-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1COCCN1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000369189733 512275369 /nfs/dbraw/zinc/27/53/69/512275369.db2.gz SYOPOTCFELCGDO-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1COCCN1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000369189733 512275374 /nfs/dbraw/zinc/27/53/74/512275374.db2.gz SYOPOTCFELCGDO-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1COCCN1CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000369189733 512275379 /nfs/dbraw/zinc/27/53/79/512275379.db2.gz SYOPOTCFELCGDO-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1COCCN1CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000369189733 512275382 /nfs/dbraw/zinc/27/53/82/512275382.db2.gz SYOPOTCFELCGDO-UNMCSNQZSA-N 1 3 357.542 2.695 20 0 FFADHO CN(CCNC(=O)NCc1cccc(C[NH+](C)C)c1)Cc1ccccc1 ZINC000054777701 506620084 /nfs/dbraw/zinc/62/00/84/506620084.db2.gz JERSJTAFVKAPRQ-UHFFFAOYSA-N 1 3 354.498 2.679 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000042929651 506680357 /nfs/dbraw/zinc/68/03/57/506680357.db2.gz VCQRSYDLUZBUGC-VQTJNVASSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)NC1CCN(Cc2ccccc2)CC1 ZINC000042929651 506680359 /nfs/dbraw/zinc/68/03/59/506680359.db2.gz VCQRSYDLUZBUGC-VQTJNVASSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000042929591 506680771 /nfs/dbraw/zinc/68/07/71/506680771.db2.gz RQBVWYPPNPNMIG-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000042929591 506680776 /nfs/dbraw/zinc/68/07/76/506680776.db2.gz RQBVWYPPNPNMIG-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067608243 506948702 /nfs/dbraw/zinc/94/87/02/506948702.db2.gz AXHRXRMOFJHQQO-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000067608243 506948709 /nfs/dbraw/zinc/94/87/09/506948709.db2.gz AXHRXRMOFJHQQO-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000067773200 507005163 /nfs/dbraw/zinc/00/51/63/507005163.db2.gz GFTRVPZDJCVZQN-LJQANCHMSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000056786026 507090609 /nfs/dbraw/zinc/09/06/09/507090609.db2.gz UVVCNYIHBHRDSL-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000056786026 507090615 /nfs/dbraw/zinc/09/06/15/507090615.db2.gz UVVCNYIHBHRDSL-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000068566317 507272295 /nfs/dbraw/zinc/27/22/95/507272295.db2.gz WRULIDUMLCJFPN-UHFFFAOYSA-N 1 3 366.937 2.898 20 0 FFADHO C[N@H+]1CCN(CCNCc2ccc(Br)cc2F)CC1(C)C ZINC000441368776 513554030 /nfs/dbraw/zinc/55/40/30/513554030.db2.gz LEFNXLHULDIATE-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000050137153 507667351 /nfs/dbraw/zinc/66/73/51/507667351.db2.gz RAPVETBFQKWMMV-INIZCTEOSA-N 1 3 364.559 2.744 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)N2CCCCC2)cc1 ZINC000062641659 507679247 /nfs/dbraw/zinc/67/92/47/507679247.db2.gz KJNOJDOUCPSOSG-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)N2CCCCC2)cc1 ZINC000062641659 507679254 /nfs/dbraw/zinc/67/92/54/507679254.db2.gz KJNOJDOUCPSOSG-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1C(C)C ZINC000050802750 507715060 /nfs/dbraw/zinc/71/50/60/507715060.db2.gz VZPACCLPENJZKE-UHFFFAOYSA-N 1 3 360.546 2.974 20 0 FFADHO C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCC[C@H](C)C1 ZINC000071932879 507726491 /nfs/dbraw/zinc/72/64/91/507726491.db2.gz XGYWLIPPLYNFCI-OALUTQOASA-N 1 3 352.567 2.918 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CN3CCC(C[NH+]4CCCC4)CC3)c2cc1C ZINC000051907943 507789939 /nfs/dbraw/zinc/78/99/39/507789939.db2.gz XPWUYJZRZBGEEA-HXUWFJFHSA-N 1 3 370.541 2.822 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2cnccc21 ZINC000073061995 507890405 /nfs/dbraw/zinc/89/04/05/507890405.db2.gz ZUHILSAIPKSMBM-SFHVURJKSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2cnccc21 ZINC000073061995 507890408 /nfs/dbraw/zinc/89/04/08/507890408.db2.gz ZUHILSAIPKSMBM-SFHVURJKSA-N 1 3 354.498 2.723 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000091286486 507979113 /nfs/dbraw/zinc/97/91/13/507979113.db2.gz LBUPDNBPFXKZTJ-HOTGVXAUSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000091286486 507979114 /nfs/dbraw/zinc/97/91/14/507979114.db2.gz LBUPDNBPFXKZTJ-HOTGVXAUSA-N 1 3 353.532 2.639 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000074109378 507988224 /nfs/dbraw/zinc/98/82/24/507988224.db2.gz NKBIEPQWSBUJRH-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000074109378 507988228 /nfs/dbraw/zinc/98/82/28/507988228.db2.gz NKBIEPQWSBUJRH-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](C(=O)NCC1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000110680654 508040754 /nfs/dbraw/zinc/04/07/54/508040754.db2.gz OKXIKPCXHQSPTN-GOSISDBHSA-N 1 3 357.542 2.788 20 0 FFADHO COc1ccsc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426425 508070639 /nfs/dbraw/zinc/07/06/39/508070639.db2.gz MSZRVWUSRJDCQF-UHFFFAOYSA-N 1 3 367.559 2.673 20 0 FFADHO CCC[NH+]1CCC(N(C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000111240905 508080726 /nfs/dbraw/zinc/08/07/26/508080726.db2.gz GPELAWVZWLQYQF-IBGZPJMESA-N 1 3 358.530 2.820 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000377650165 512377139 /nfs/dbraw/zinc/37/71/39/512377139.db2.gz WRWGNCURBLYKMS-RTWAWAEBSA-N 1 3 362.537 2.577 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)C[C@H](C)O1 ZINC000092587475 508084163 /nfs/dbraw/zinc/08/41/63/508084163.db2.gz DTHRQGANIIFTNS-HDICACEKSA-N 1 3 369.513 2.589 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)C[C@@H](C)O1 ZINC000092587477 508084733 /nfs/dbraw/zinc/08/47/33/508084733.db2.gz DTHRQGANIIFTNS-QZTJIDSGSA-N 1 3 369.513 2.589 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000111491588 508104344 /nfs/dbraw/zinc/10/43/44/508104344.db2.gz GBZPHZMAOZTOPD-RXVVDRJESA-N 1 3 370.541 2.648 20 0 FFADHO CCOc1cc2[nH+]ccc(N3CCN(CC(C)(C)O)CC3)c2cc1OCC ZINC000112332891 508175694 /nfs/dbraw/zinc/17/56/94/508175694.db2.gz QRDWBYRCZVEUAH-UHFFFAOYSA-N 1 3 373.497 2.925 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)O1 ZINC000083027331 508232507 /nfs/dbraw/zinc/23/25/07/508232507.db2.gz CGKFTUDSEWXIAO-RTBURBONSA-N 1 3 373.541 2.902 20 0 FFADHO C[C@@H]1CCCC[C@H]1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101999559 508263767 /nfs/dbraw/zinc/26/37/67/508263767.db2.gz JUVKUPCCXHQDMC-SJORKVTESA-N 1 3 350.551 2.671 20 0 FFADHO COc1ccc(C(=O)CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000367210287 512387062 /nfs/dbraw/zinc/38/70/62/512387062.db2.gz BTHXOQMXUGDGKP-UHFFFAOYSA-N 1 3 373.541 2.618 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000103313665 508306695 /nfs/dbraw/zinc/30/66/95/508306695.db2.gz RSLFFBBJCYHAMP-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO CCCOc1c(Cl)cc(C[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000077450203 508317544 /nfs/dbraw/zinc/31/75/44/508317544.db2.gz CZUHXHJEVXFXLG-UHFFFAOYSA-N 1 3 356.894 2.684 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000105274725 508368085 /nfs/dbraw/zinc/36/80/85/508368085.db2.gz QSCPRKIJLYUVRB-SFHVURJKSA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000105274725 508368087 /nfs/dbraw/zinc/36/80/87/508368087.db2.gz QSCPRKIJLYUVRB-SFHVURJKSA-N 1 3 364.534 2.782 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000088480142 508372618 /nfs/dbraw/zinc/37/26/18/508372618.db2.gz YUWCBFRIVGMUND-UHFFFAOYSA-N 1 3 358.486 2.615 20 0 FFADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+][C@H]3CCOC3)CC2)c1 ZINC000088680198 508381142 /nfs/dbraw/zinc/38/11/42/508381142.db2.gz ZJQZORSKBXFNSM-KRWDZBQOSA-N 1 3 371.447 2.986 20 0 FFADHO COCCCn1nccc1C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000367226004 512395367 /nfs/dbraw/zinc/39/53/67/512395367.db2.gz SRKVWLOUPMMKFI-OAQYLSRUSA-N 1 3 356.514 2.921 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115798905 508439133 /nfs/dbraw/zinc/43/91/33/508439133.db2.gz LWFOJRICCJARRX-CEXWTWQISA-N 1 3 352.567 2.728 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)C[C@@H]2CCCN(C)C2)C1 ZINC000115798905 508439135 /nfs/dbraw/zinc/43/91/35/508439135.db2.gz LWFOJRICCJARRX-CEXWTWQISA-N 1 3 352.567 2.728 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000156622274 508451298 /nfs/dbraw/zinc/45/12/98/508451298.db2.gz VFZJBNBJMFDRDO-FQEVSTJZSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000153136843 508551001 /nfs/dbraw/zinc/55/10/01/508551001.db2.gz VBJDASZKCJPEIU-LMCOJAPRSA-N 1 3 358.530 2.821 20 0 FFADHO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)c1 ZINC000157772245 508610337 /nfs/dbraw/zinc/61/03/37/508610337.db2.gz QAIFVRARQVSPRU-KRWDZBQOSA-N 1 3 369.509 2.880 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC(C)CC1 ZINC000157915559 508631931 /nfs/dbraw/zinc/63/19/31/508631931.db2.gz LUONXKHOFRWCGT-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000158186770 508668801 /nfs/dbraw/zinc/66/88/01/508668801.db2.gz BKPWDBVHMVDLFI-QGZVFWFLSA-N 1 3 367.559 2.757 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000154039566 508704746 /nfs/dbraw/zinc/70/47/46/508704746.db2.gz HUJYDNSSUMOFNP-LJQANCHMSA-N 1 3 364.534 2.863 20 0 FFADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123720558 508729309 /nfs/dbraw/zinc/72/93/09/508729309.db2.gz BLQFBLOTDPNBGD-HNNXBMFYSA-N 1 3 361.511 2.507 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000154275962 508750855 /nfs/dbraw/zinc/75/08/55/508750855.db2.gz LDEIODRLHYAQTF-GOSISDBHSA-N 1 3 355.530 2.859 20 0 FFADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000137850114 508765705 /nfs/dbraw/zinc/76/57/05/508765705.db2.gz IINUXEWWSZHEAC-DUXKGJEZSA-N 1 3 373.541 2.559 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000159202940 508807148 /nfs/dbraw/zinc/80/71/48/508807148.db2.gz VIESTHUUHNCTBJ-KRWDZBQOSA-N 1 3 359.514 2.965 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000150812238 508899112 /nfs/dbraw/zinc/89/91/12/508899112.db2.gz OBBJGSYIMUZQGD-IBGZPJMESA-N 1 3 368.529 2.928 20 0 FFADHO c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@@H](CN4CCCC4)C3)n2)cc1 ZINC000150812238 508899113 /nfs/dbraw/zinc/89/91/13/508899113.db2.gz OBBJGSYIMUZQGD-IBGZPJMESA-N 1 3 368.529 2.928 20 0 FFADHO c1ccc(-c2nnn(CCCCC[N@H+]3CC[C@@H](CN4CCCC4)C3)n2)cc1 ZINC000150812238 508899114 /nfs/dbraw/zinc/89/91/14/508899114.db2.gz OBBJGSYIMUZQGD-IBGZPJMESA-N 1 3 368.529 2.928 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H](C)C1 ZINC000131410877 508928134 /nfs/dbraw/zinc/92/81/34/508928134.db2.gz VAVRHWXJDUETCR-UYAOXDASSA-N 1 3 360.546 2.908 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1OCC(F)F ZINC000131793284 508970697 /nfs/dbraw/zinc/97/06/97/508970697.db2.gz XAUMQSJNRNRPAH-UHFFFAOYSA-N 1 3 372.460 2.596 20 0 FFADHO C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C1CC1 ZINC000125627299 509008722 /nfs/dbraw/zinc/00/87/22/509008722.db2.gz JJKNDNDITPVXBH-LRYGQEGESA-N 1 3 350.551 2.811 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151413552 509011031 /nfs/dbraw/zinc/01/10/31/509011031.db2.gz HSFAKCRBRWCWHH-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000151413552 509011032 /nfs/dbraw/zinc/01/10/32/509011032.db2.gz HSFAKCRBRWCWHH-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000151413670 509011378 /nfs/dbraw/zinc/01/13/78/509011378.db2.gz HSFAKCRBRWCWHH-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000151413670 509011381 /nfs/dbraw/zinc/01/13/81/509011381.db2.gz HSFAKCRBRWCWHH-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000132931921 509093712 /nfs/dbraw/zinc/09/37/12/509093712.db2.gz VKGJELUDNGRNMF-IRXDYDNUSA-N 1 3 360.498 2.999 20 0 FFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000120974509 509100844 /nfs/dbraw/zinc/10/08/44/509100844.db2.gz WABCCPVPIPOLTD-LPHOPBHVSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000126626999 509104815 /nfs/dbraw/zinc/10/48/15/509104815.db2.gz IIRXUBKEIVDRTR-FUHWJXTLSA-N 1 3 350.551 2.813 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000121163769 509142744 /nfs/dbraw/zinc/14/27/44/509142744.db2.gz UDYGDQRHCQLYEF-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1)C(C)C ZINC000195489605 509191771 /nfs/dbraw/zinc/19/17/71/509191771.db2.gz DDSQTRKQIUZTMJ-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC2CCN(CCOC)CC2)cc1)C(C)C ZINC000195489605 509191775 /nfs/dbraw/zinc/19/17/75/509191775.db2.gz DDSQTRKQIUZTMJ-UHFFFAOYSA-N 1 3 361.530 2.758 20 0 FFADHO CC(C)CN1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000195648544 509214713 /nfs/dbraw/zinc/21/47/13/509214713.db2.gz WRWVROJWQNBQCY-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)CN1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000195648544 509214717 /nfs/dbraw/zinc/21/47/17/509214717.db2.gz WRWVROJWQNBQCY-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)COCc3ccccc3Cl)CC[C@H]21 ZINC000248043628 509222220 /nfs/dbraw/zinc/22/22/20/509222220.db2.gz UMRWVUZHPRVEML-SZVBFZGTSA-N 1 3 352.906 2.634 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)COCc3ccccc3Cl)CC[C@H]21 ZINC000248043628 509222226 /nfs/dbraw/zinc/22/22/26/509222226.db2.gz UMRWVUZHPRVEML-SZVBFZGTSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3Cl)CC[C@H]21 ZINC000248043628 509222233 /nfs/dbraw/zinc/22/22/33/509222233.db2.gz UMRWVUZHPRVEML-SZVBFZGTSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3Cl)CC[C@H]21 ZINC000248043628 509222240 /nfs/dbraw/zinc/22/22/40/509222240.db2.gz UMRWVUZHPRVEML-SZVBFZGTSA-N 1 3 352.906 2.634 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000248043627 509223210 /nfs/dbraw/zinc/22/32/10/509223210.db2.gz UMRWVUZHPRVEML-SUMDDJOVSA-N 1 3 352.906 2.634 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000248043627 509223215 /nfs/dbraw/zinc/22/32/15/509223215.db2.gz UMRWVUZHPRVEML-SUMDDJOVSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000248043627 509223219 /nfs/dbraw/zinc/22/32/19/509223219.db2.gz UMRWVUZHPRVEML-SUMDDJOVSA-N 1 3 352.906 2.634 20 0 FFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3Cl)CC[C@@H]21 ZINC000248043627 509223227 /nfs/dbraw/zinc/22/32/27/509223227.db2.gz UMRWVUZHPRVEML-SUMDDJOVSA-N 1 3 352.906 2.634 20 0 FFADHO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1C[C@H](F)CN1 ZINC000188767598 509253713 /nfs/dbraw/zinc/25/37/13/509253713.db2.gz VWHVLTKSOZHQNQ-VQTJNVASSA-N 1 3 361.505 2.538 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248395617 509292056 /nfs/dbraw/zinc/29/20/56/509292056.db2.gz GHKGOBYCUGWYBC-ZIFCJYIRSA-N 1 3 350.551 2.813 20 0 FFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248395617 509292061 /nfs/dbraw/zinc/29/20/61/509292061.db2.gz GHKGOBYCUGWYBC-ZIFCJYIRSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248399030 509295309 /nfs/dbraw/zinc/29/53/09/509295309.db2.gz JJKQYSUADHXZAZ-OKZBNKHCSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399030 509295315 /nfs/dbraw/zinc/29/53/15/509295315.db2.gz JJKQYSUADHXZAZ-OKZBNKHCSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179192786 509313883 /nfs/dbraw/zinc/31/38/83/509313883.db2.gz ZZNHZDVZCJBVNQ-VQTJNVASSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1ccco1)[NH+]1CCCCC1 ZINC000182658254 509354056 /nfs/dbraw/zinc/35/40/56/509354056.db2.gz JMAMUVBGMUBLCO-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248544893 509356647 /nfs/dbraw/zinc/35/66/47/509356647.db2.gz DBDXOXJONUIGIM-LKUPVBHCSA-N 1 3 374.525 2.872 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000173189133 509445997 /nfs/dbraw/zinc/44/59/97/509445997.db2.gz JERSOZZWBNJKGF-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000173189133 509446005 /nfs/dbraw/zinc/44/60/05/509446005.db2.gz JERSOZZWBNJKGF-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000248732182 509457891 /nfs/dbraw/zinc/45/78/91/509457891.db2.gz DHCHUBAOPWSWAU-PBASOCQRSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000248732182 509457898 /nfs/dbraw/zinc/45/78/98/509457898.db2.gz DHCHUBAOPWSWAU-PBASOCQRSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[C@H]1c1ccccc1 ZINC000179467520 509460861 /nfs/dbraw/zinc/46/08/61/509460861.db2.gz JJRHZELMMRILAT-YSTOQKLRSA-N 1 3 356.514 2.558 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[C@H]1c1ccccc1 ZINC000179467520 509460868 /nfs/dbraw/zinc/46/08/68/509460868.db2.gz JJRHZELMMRILAT-YSTOQKLRSA-N 1 3 356.514 2.558 20 0 FFADHO CC1(C)C[C@@H](NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)(C)O1 ZINC000189225802 509470539 /nfs/dbraw/zinc/47/05/39/509470539.db2.gz TUESBKQUNZEMBK-LJQANCHMSA-N 1 3 373.541 2.834 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000176383161 509479707 /nfs/dbraw/zinc/47/97/07/509479707.db2.gz KELJKCYIWROMOI-INIZCTEOSA-N 1 3 350.551 2.813 20 0 FFADHO CC(CN1CCC[C@H](c2ncc[nH]2)C1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267457897 509495062 /nfs/dbraw/zinc/49/50/62/509495062.db2.gz UBGIMPWHFPGWAH-ROUUACIJSA-N 1 3 356.518 2.828 20 0 FFADHO CC(CN1CCC[C@H](c2ncc[nH]2)C1)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267457897 509495066 /nfs/dbraw/zinc/49/50/66/509495066.db2.gz UBGIMPWHFPGWAH-ROUUACIJSA-N 1 3 356.518 2.828 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)c1cccc(OC)c1 ZINC000236837956 509514563 /nfs/dbraw/zinc/51/45/63/509514563.db2.gz GTFJJPFIXPLZQL-FQEVSTJZSA-N 1 3 355.482 2.967 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236895701 509529069 /nfs/dbraw/zinc/52/90/69/509529069.db2.gz KSVHXLAAHIEHGX-UXHICEINSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000164845018 509539028 /nfs/dbraw/zinc/53/90/28/509539028.db2.gz ZPXBUMQARZBHQU-OPYAIIAOSA-N 1 3 373.541 2.549 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(C)CCCCN3)cc2F)CC1 ZINC000237088968 509569178 /nfs/dbraw/zinc/56/91/78/509569178.db2.gz YDMCCLZPFLGGDW-FQEVSTJZSA-N 1 3 362.493 2.827 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237186591 509590282 /nfs/dbraw/zinc/59/02/82/509590282.db2.gz QLJSKCIFJQSIRU-IBGZPJMESA-N 1 3 355.482 2.723 20 0 FFADHO COCCOc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264547933 509593097 /nfs/dbraw/zinc/59/30/97/509593097.db2.gz REERKHJOOAZHDT-HDICACEKSA-N 1 3 350.503 2.691 20 0 FFADHO O=C(NC1CC1)[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000179755679 509606418 /nfs/dbraw/zinc/60/64/18/509606418.db2.gz UBMLBAYHCVZANF-NRFANRHFSA-N 1 3 364.493 2.908 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000237287432 509612738 /nfs/dbraw/zinc/61/27/38/509612738.db2.gz SMZHUYPKFYIAPJ-MOPGFXCFSA-N 1 3 359.514 2.541 20 0 FFADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183140464 509623257 /nfs/dbraw/zinc/62/32/57/509623257.db2.gz DOGSXPXSSXJDIM-SWUCNREESA-N 1 3 370.585 2.513 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000167251472 509627772 /nfs/dbraw/zinc/62/77/72/509627772.db2.gz KYBQKFBTZYSMQJ-TUFLPTIASA-N 1 3 373.541 2.733 20 0 FFADHO C[C@H]1C[C@H](NC(=O)C2(N)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000167539939 509634812 /nfs/dbraw/zinc/63/48/12/509634812.db2.gz BEXXUXDMFOJSCE-LAUBAEHRSA-N 1 3 363.505 2.652 20 0 FFADHO C[C@H]1C[C@H](NC(=O)C2(N)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000167539939 509634820 /nfs/dbraw/zinc/63/48/20/509634820.db2.gz BEXXUXDMFOJSCE-LAUBAEHRSA-N 1 3 363.505 2.652 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000192787533 509642943 /nfs/dbraw/zinc/64/29/43/509642943.db2.gz NMUZADGTQZCWDE-LJQANCHMSA-N 1 3 372.557 2.880 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168901634 509652771 /nfs/dbraw/zinc/65/27/71/509652771.db2.gz YZADNNLOPWKLJW-INIZCTEOSA-N 1 3 368.591 2.616 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cc1Cl ZINC000168907229 509652814 /nfs/dbraw/zinc/65/28/14/509652814.db2.gz TUWJIQKCVCSPOT-OAHLLOKOSA-N 1 3 357.901 2.520 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000249431729 509678753 /nfs/dbraw/zinc/67/87/53/509678753.db2.gz JWAGGYGUPXWFOO-SCTDSRPQSA-N 1 3 353.551 2.550 20 0 FFADHO C[C@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000237610019 509690948 /nfs/dbraw/zinc/69/09/48/509690948.db2.gz HCVGCECFAAQTLG-QGZVFWFLSA-N 1 3 367.603 2.880 20 0 FFADHO Cc1cc(NC(=O)C[C@H]2CSCCN2)ccc1OCC[NH+]1CCCC1 ZINC000237712939 509717725 /nfs/dbraw/zinc/71/77/25/509717725.db2.gz BQVPVLRIKUJELQ-KRWDZBQOSA-N 1 3 363.527 2.503 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000237728634 509720863 /nfs/dbraw/zinc/72/08/63/509720863.db2.gz LJEWDMZFJMIKLF-OAQYLSRUSA-N 1 3 351.494 2.818 20 0 FFADHO [NH3+]C[C@@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000238039368 509807554 /nfs/dbraw/zinc/80/75/54/509807554.db2.gz APQRINSFGRCBQA-HXUWFJFHSA-N 1 3 369.534 2.959 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173952160 509872337 /nfs/dbraw/zinc/87/23/37/509872337.db2.gz UCFWCDJJPHPLSH-UHFFFAOYSA-N 1 3 372.517 2.608 20 0 FFADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1Br ZINC000268398495 509905572 /nfs/dbraw/zinc/90/55/72/509905572.db2.gz AZBMNNKQMJZFPS-UHFFFAOYSA-N 1 3 371.319 2.783 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Br)cc2F)CC1 ZINC000268429278 509923926 /nfs/dbraw/zinc/92/39/26/509923926.db2.gz ONVPWMCFFSWQPJ-UHFFFAOYSA-N 1 3 359.283 2.913 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000268429349 509924830 /nfs/dbraw/zinc/92/48/30/509924830.db2.gz ORVGEFTWFJWPDZ-UHFFFAOYSA-N 1 3 368.905 2.826 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245433224 509929277 /nfs/dbraw/zinc/92/92/77/509929277.db2.gz PCKNDMUVSRIUST-SFTDATJTSA-N 1 3 370.541 2.778 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000268547228 510002246 /nfs/dbraw/zinc/00/22/46/510002246.db2.gz VIWRJFOSWCMCAY-FQEVSTJZSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)Oc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261794563 510065581 /nfs/dbraw/zinc/06/55/81/510065581.db2.gz IJKQEACOBZYDBA-UYAOXDASSA-N 1 3 359.514 2.554 20 0 FFADHO CC(C)N1CCC[C@@H]([NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000177489107 510092890 /nfs/dbraw/zinc/09/28/90/510092890.db2.gz LKTRYVSMCKQMTG-QWFCFKBJSA-N 1 3 365.562 2.597 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245704412 510096688 /nfs/dbraw/zinc/09/66/88/510096688.db2.gz ZZNHZDVZCJBVNQ-UXHICEINSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261876793 510097178 /nfs/dbraw/zinc/09/71/78/510097178.db2.gz OTSVPVZOKFTXHR-LEWJYISDSA-N 1 3 357.542 2.965 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261934578 510121808 /nfs/dbraw/zinc/12/18/08/510121808.db2.gz LWSYPTFKPHBQBX-IEBWSBKVSA-N 1 3 361.555 2.951 20 0 FFADHO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](C[C@@H]1CCCNC1)CC2 ZINC000261934578 510121813 /nfs/dbraw/zinc/12/18/13/510121813.db2.gz LWSYPTFKPHBQBX-IEBWSBKVSA-N 1 3 361.555 2.951 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261933610 510122402 /nfs/dbraw/zinc/12/24/02/510122402.db2.gz LQWGICMHCKZOFR-UXHICEINSA-N 1 3 369.553 2.965 20 0 FFADHO CCSCC[C@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174467898 510128137 /nfs/dbraw/zinc/12/81/37/510128137.db2.gz NWVJBEYBMUSOSL-INIZCTEOSA-N 1 3 370.607 2.718 20 0 FFADHO COc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000268914647 510134493 /nfs/dbraw/zinc/13/44/93/510134493.db2.gz PFHAJAGGLJHCDU-CQSZACIVSA-N 1 3 353.894 2.951 20 0 FFADHO COc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000268914647 510134499 /nfs/dbraw/zinc/13/44/99/510134499.db2.gz PFHAJAGGLJHCDU-CQSZACIVSA-N 1 3 353.894 2.951 20 0 FFADHO Cc1ccc2cc(CN3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)ccc2n1 ZINC000261985094 510137258 /nfs/dbraw/zinc/13/72/58/510137258.db2.gz RVCSKYUFGPVKFW-RXVVDRJESA-N 1 3 366.509 2.623 20 0 FFADHO c1nc2ccccc2n1-c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262065328 510164966 /nfs/dbraw/zinc/16/49/66/510164966.db2.gz AXFDDUTWQBEYRX-FQEVSTJZSA-N 1 3 361.493 2.505 20 0 FFADHO C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262108391 510181037 /nfs/dbraw/zinc/18/10/37/510181037.db2.gz UKMUFNJTNKMAJP-MEDUHNTESA-N 1 3 359.451 2.777 20 0 FFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(O)CCN(C(C)C)CC2)c(C)c1 ZINC000269011117 510190352 /nfs/dbraw/zinc/19/03/52/510190352.db2.gz MRFQDLHCCVOZAS-GOSISDBHSA-N 1 3 361.530 2.845 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177687218 510199137 /nfs/dbraw/zinc/19/91/37/510199137.db2.gz BORJCINQFHBONT-VQTJNVASSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177687218 510199145 /nfs/dbraw/zinc/19/91/45/510199145.db2.gz BORJCINQFHBONT-VQTJNVASSA-N 1 3 357.542 2.930 20 0 FFADHO COC(=O)c1cc2cc(CN(C)CC[N@H+](C)C3CCN(C)CC3)ccc2o1 ZINC000180954424 510204793 /nfs/dbraw/zinc/20/47/93/510204793.db2.gz VWJPIWASKQGPEP-UHFFFAOYSA-N 1 3 373.497 2.677 20 0 FFADHO COC(=O)c1cc2cc(CN(C)CC[N@@H+](C)C3CCN(C)CC3)ccc2o1 ZINC000180954424 510204802 /nfs/dbraw/zinc/20/48/02/510204802.db2.gz VWJPIWASKQGPEP-UHFFFAOYSA-N 1 3 373.497 2.677 20 0 FFADHO COC(=O)c1cc2cc(CN(C)CCN(C)C3CC[NH+](C)CC3)ccc2o1 ZINC000180954424 510204806 /nfs/dbraw/zinc/20/48/06/510204806.db2.gz VWJPIWASKQGPEP-UHFFFAOYSA-N 1 3 373.497 2.677 20 0 FFADHO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(OC(F)F)c(OC)c3)C2)CC1 ZINC000171526846 510208639 /nfs/dbraw/zinc/20/86/39/510208639.db2.gz XWHMAWVGBZWUKP-MRXNPFEDSA-N 1 3 369.456 2.508 20 0 FFADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(OC)c3)C2)CC1 ZINC000171526846 510208644 /nfs/dbraw/zinc/20/86/44/510208644.db2.gz XWHMAWVGBZWUKP-MRXNPFEDSA-N 1 3 369.456 2.508 20 0 FFADHO CN(C)CCn1ccc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000187344486 510210379 /nfs/dbraw/zinc/21/03/79/510210379.db2.gz AYACSZIPJTWZRE-UHFFFAOYSA-N 1 3 364.538 2.611 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN(C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000265777285 510225530 /nfs/dbraw/zinc/22/55/30/510225530.db2.gz URUUSQBOZHIOKW-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN(C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000265777285 510225535 /nfs/dbraw/zinc/22/55/35/510225535.db2.gz URUUSQBOZHIOKW-PXNSSMCTSA-N 1 3 358.530 2.775 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000171571388 510230320 /nfs/dbraw/zinc/23/03/20/510230320.db2.gz WOPDNSBJEKDRNR-OXJNMPFZSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000171571388 510230329 /nfs/dbraw/zinc/23/03/29/510230329.db2.gz WOPDNSBJEKDRNR-OXJNMPFZSA-N 1 3 374.529 2.614 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174723895 510271255 /nfs/dbraw/zinc/27/12/55/510271255.db2.gz OCMXEVFJLFUIMC-MRXNPFEDSA-N 1 3 366.937 2.545 20 0 FFADHO [NH3+]CC1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000269182081 510277710 /nfs/dbraw/zinc/27/77/10/510277710.db2.gz HVAATPBWZRNWPI-SFHVURJKSA-N 1 3 369.431 2.638 20 0 FFADHO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000181119743 510280571 /nfs/dbraw/zinc/28/05/71/510280571.db2.gz QESHONFVNYHMPI-DMKPSLHHSA-N 1 3 368.543 2.633 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000171734920 510337499 /nfs/dbraw/zinc/33/74/99/510337499.db2.gz ULJMAUFCFIHKJJ-UHFFFAOYSA-N 1 3 372.557 2.677 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000246214396 510369271 /nfs/dbraw/zinc/36/92/71/510369271.db2.gz XGONVLZGSLAZFR-RXVVDRJESA-N 1 3 357.542 2.788 20 0 FFADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000246214396 510369281 /nfs/dbraw/zinc/36/92/81/510369281.db2.gz XGONVLZGSLAZFR-RXVVDRJESA-N 1 3 357.542 2.788 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000266075749 510396149 /nfs/dbraw/zinc/39/61/49/510396149.db2.gz LJGLLVBXFPTRBX-PKOBYXMFSA-N 1 3 361.530 2.962 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000246271366 510399629 /nfs/dbraw/zinc/39/96/29/510399629.db2.gz JAONYZUZIJZHKC-MISYRCLQSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000246271366 510399638 /nfs/dbraw/zinc/39/96/38/510399638.db2.gz JAONYZUZIJZHKC-MISYRCLQSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262809662 510422465 /nfs/dbraw/zinc/42/24/65/510422465.db2.gz QCRXDMAWFJASDZ-AEFFLSMTSA-N 1 3 369.513 2.667 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246330658 510430260 /nfs/dbraw/zinc/43/02/60/510430260.db2.gz XTIKGGGMHBHTSI-NXLVEIQXSA-N 1 3 359.558 2.986 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CN[C@H](C)c2nccnc2C)CC1 ZINC000187783293 510436260 /nfs/dbraw/zinc/43/62/60/510436260.db2.gz JUEYIORQBOZBPN-GOSISDBHSA-N 1 3 353.514 2.773 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCC[C@@H](C)C1 ZINC000246357603 510444839 /nfs/dbraw/zinc/44/48/39/510444839.db2.gz DSHPVZYNOTXXSD-QYZOEREBSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178167664 510467289 /nfs/dbraw/zinc/46/72/89/510467289.db2.gz RTGSVNIKGFPEOZ-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178167664 510467299 /nfs/dbraw/zinc/46/72/99/510467299.db2.gz RTGSVNIKGFPEOZ-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178235006 510501596 /nfs/dbraw/zinc/50/15/96/510501596.db2.gz CTUQUEHYGFLECG-NSHGMRRFSA-N 1 3 365.562 2.599 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178235006 510501602 /nfs/dbraw/zinc/50/16/02/510501602.db2.gz CTUQUEHYGFLECG-NSHGMRRFSA-N 1 3 365.562 2.599 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184885411 510563804 /nfs/dbraw/zinc/56/38/04/510563804.db2.gz JOXBTNFIBBZODP-QGZVFWFLSA-N 1 3 361.534 2.680 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184885411 510563813 /nfs/dbraw/zinc/56/38/13/510563813.db2.gz JOXBTNFIBBZODP-QGZVFWFLSA-N 1 3 361.534 2.680 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)CC1 ZINC000184891987 510566681 /nfs/dbraw/zinc/56/66/81/510566681.db2.gz XJIIDSIBUBCDGD-HXUWFJFHSA-N 1 3 371.529 2.531 20 0 FFADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000263219925 510618561 /nfs/dbraw/zinc/61/85/61/510618561.db2.gz LRVYEDLFTYTLRT-TZIWHRDSSA-N 1 3 359.514 2.737 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000246790960 510674142 /nfs/dbraw/zinc/67/41/42/510674142.db2.gz BMDABCVOSOVPRJ-GJYPPUQNSA-N 1 3 350.551 2.669 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC[C@H]21 ZINC000246830505 510699654 /nfs/dbraw/zinc/69/96/54/510699654.db2.gz BBQNIYWKVJWTGL-NJYVYQBISA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC[C@H]21 ZINC000246830505 510699662 /nfs/dbraw/zinc/69/96/62/510699662.db2.gz BBQNIYWKVJWTGL-NJYVYQBISA-N 1 3 370.541 2.949 20 0 FFADHO CC(C)N1CCN(CCC[N@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000191532879 510708094 /nfs/dbraw/zinc/70/80/94/510708094.db2.gz RSRUKBKXWOOOGR-QFIPXVFZSA-N 1 3 359.558 2.774 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000191532879 510708101 /nfs/dbraw/zinc/70/81/01/510708101.db2.gz RSRUKBKXWOOOGR-QFIPXVFZSA-N 1 3 359.558 2.774 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000178669559 510713193 /nfs/dbraw/zinc/71/31/93/510713193.db2.gz ILHMALOEKXNFBX-QGZVFWFLSA-N 1 3 358.530 2.844 20 0 FFADHO COc1cccc(COC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246944749 510761574 /nfs/dbraw/zinc/76/15/74/510761574.db2.gz UHPQULQVHGXXAP-DWLFOUALSA-N 1 3 374.525 2.521 20 0 FFADHO COc1cccc(COC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246944749 510761577 /nfs/dbraw/zinc/76/15/77/510761577.db2.gz UHPQULQVHGXXAP-DWLFOUALSA-N 1 3 374.525 2.521 20 0 FFADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343414 510793198 /nfs/dbraw/zinc/79/31/98/510793198.db2.gz XACMQUHTBZGEBJ-APWZRJJASA-N 1 3 350.551 2.765 20 0 FFADHO COc1cc(F)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341993 510793625 /nfs/dbraw/zinc/79/36/25/510793625.db2.gz XCXFQBHLZDPPCN-UHFFFAOYSA-N 1 3 364.465 2.514 20 0 FFADHO COc1c(C)ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000195343408 510793971 /nfs/dbraw/zinc/79/39/71/510793971.db2.gz NVDXIAXIEZKRMP-UHFFFAOYSA-N 1 3 374.529 2.992 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000247039231 510811784 /nfs/dbraw/zinc/81/17/84/510811784.db2.gz YTWJKJIGZIJWBK-TVFCKZIOSA-N 1 3 358.530 2.985 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCN(C)[C@@H](C)C3)CC2)c1 ZINC000247166912 510848065 /nfs/dbraw/zinc/84/80/65/510848065.db2.gz ULFDOGPUYMSOHY-LEWJYISDSA-N 1 3 358.574 2.970 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000247246163 510853951 /nfs/dbraw/zinc/85/39/51/510853951.db2.gz YAFIOQDMPQLDPS-HRCADAONSA-N 1 3 363.502 2.883 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000247246163 510853952 /nfs/dbraw/zinc/85/39/52/510853952.db2.gz YAFIOQDMPQLDPS-HRCADAONSA-N 1 3 363.502 2.883 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000247339725 510857742 /nfs/dbraw/zinc/85/77/42/510857742.db2.gz NPZJFIFGHHOBQU-SJORKVTESA-N 1 3 367.559 2.708 20 0 FFADHO C[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)N(C)Cc1ccccc1 ZINC000360356101 510900874 /nfs/dbraw/zinc/90/08/74/510900874.db2.gz SXOJSKUZRPOOLD-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000285507148 510934003 /nfs/dbraw/zinc/93/40/03/510934003.db2.gz AVFZMTDIMPCLPF-QKYXUNIQSA-N 1 3 361.530 2.971 20 0 FFADHO c1csc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCOCC2)c1 ZINC000294176450 510980054 /nfs/dbraw/zinc/98/00/54/510980054.db2.gz JSVQBYKLISOOME-LJQANCHMSA-N 1 3 372.538 2.775 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C3CCC3)CC2)o1 ZINC000297638814 511018328 /nfs/dbraw/zinc/01/83/28/511018328.db2.gz VAADEKLZLHIVEX-UHFFFAOYSA-N 1 3 362.518 2.678 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297668230 511028216 /nfs/dbraw/zinc/02/82/16/511028216.db2.gz WMUNZHWUCVKUEC-UHFFFAOYSA-N 1 3 364.559 2.838 20 0 FFADHO CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000294327953 511028539 /nfs/dbraw/zinc/02/85/39/511028539.db2.gz RJRIZKHCEZDYSD-OALUTQOASA-N 1 3 350.528 2.728 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297686498 511034278 /nfs/dbraw/zinc/03/42/78/511034278.db2.gz PMZYWCMSPLARMQ-MRXNPFEDSA-N 1 3 360.502 2.897 20 0 FFADHO Cc1ccc(F)c(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000289699460 511110386 /nfs/dbraw/zinc/11/03/86/511110386.db2.gz FYZVYWRVFPHUER-UHFFFAOYSA-N 1 3 361.505 2.948 20 0 FFADHO COc1ccc([C@@H](CN(C)C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298006885 511140026 /nfs/dbraw/zinc/14/00/26/511140026.db2.gz BTFBPTAUQALFHX-OAQYLSRUSA-N 1 3 354.498 2.952 20 0 FFADHO CCOc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc(Cl)c1[O-] ZINC000298402751 511273031 /nfs/dbraw/zinc/27/30/31/511273031.db2.gz LWHCLRVCGREWMH-OAHLLOKOSA-N 1 3 356.894 2.771 20 0 FFADHO CCOc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc(Cl)c1[O-] ZINC000298402751 511273032 /nfs/dbraw/zinc/27/30/32/511273032.db2.gz LWHCLRVCGREWMH-OAHLLOKOSA-N 1 3 356.894 2.771 20 0 FFADHO [NH3+]C1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000333550997 511281991 /nfs/dbraw/zinc/28/19/91/511281991.db2.gz PHDLYMSNNDQPIO-BSLXTEBSSA-N 1 3 374.573 2.800 20 0 FFADHO C[C@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000291719295 511309416 /nfs/dbraw/zinc/30/94/16/511309416.db2.gz WMQWKHGQLNQPAD-QGZVFWFLSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000291719295 511309419 /nfs/dbraw/zinc/30/94/19/511309419.db2.gz WMQWKHGQLNQPAD-QGZVFWFLSA-N 1 3 358.530 2.764 20 0 FFADHO O=C(OCc1ccccc1)c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c[nH]1 ZINC000295210641 511321975 /nfs/dbraw/zinc/32/19/75/511321975.db2.gz AMOKHLHYJKAEAN-KRWDZBQOSA-N 1 3 353.466 2.946 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000271842532 511344543 /nfs/dbraw/zinc/34/45/43/511344543.db2.gz LBUPDNBPFXKZTJ-HZPDHXFCSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000271842532 511344546 /nfs/dbraw/zinc/34/45/46/511344546.db2.gz LBUPDNBPFXKZTJ-HZPDHXFCSA-N 1 3 353.532 2.639 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000365257897 511346959 /nfs/dbraw/zinc/34/69/59/511346959.db2.gz AZVPRLKLEGLTJA-UXHICEINSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000365257897 511346961 /nfs/dbraw/zinc/34/69/61/511346961.db2.gz AZVPRLKLEGLTJA-UXHICEINSA-N 1 3 358.530 2.695 20 0 FFADHO CN1CCC(CC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000291939002 511398426 /nfs/dbraw/zinc/39/84/26/511398426.db2.gz MSRWDBJRLRBUKN-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC(CC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000291939002 511398433 /nfs/dbraw/zinc/39/84/33/511398433.db2.gz MSRWDBJRLRBUKN-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000291964838 511410461 /nfs/dbraw/zinc/41/04/61/511410461.db2.gz XQXTZJWRYVKIQH-QZTJIDSGSA-N 1 3 360.546 2.879 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000272205114 511464341 /nfs/dbraw/zinc/46/43/41/511464341.db2.gz YZXOXZKVKGCULQ-UHFFFAOYSA-N 1 3 361.530 2.759 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000363322093 511480777 /nfs/dbraw/zinc/48/07/77/511480777.db2.gz ZLJWCZJGSQDHCM-PBASOCQRSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000363322093 511480784 /nfs/dbraw/zinc/48/07/84/511480784.db2.gz ZLJWCZJGSQDHCM-PBASOCQRSA-N 1 3 370.541 2.966 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)[C@@H]2C1 ZINC000272273422 511488285 /nfs/dbraw/zinc/48/82/85/511488285.db2.gz AHIUTSXTLVGSCI-YLJYHZDGSA-N 1 3 356.514 2.518 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000280564878 511513474 /nfs/dbraw/zinc/51/34/74/511513474.db2.gz GCEBEFCKEJFWKH-UHFFFAOYSA-N 1 3 367.541 2.967 20 0 FFADHO C[C@@H](NCc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1F)[C@H]1CCOC1 ZINC000295786034 511514587 /nfs/dbraw/zinc/51/45/87/511514587.db2.gz RCAQHDGUOVJIKA-IDCNUPLLSA-N 1 3 350.478 2.855 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000273671052 511569909 /nfs/dbraw/zinc/56/99/09/511569909.db2.gz XUVJITDHHXFFGD-ROUUACIJSA-N 1 3 360.546 2.879 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000365912132 511725033 /nfs/dbraw/zinc/72/50/33/511725033.db2.gz MXDXZZICICQHOB-UHFFFAOYSA-N 1 3 373.545 2.555 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000274212300 511756156 /nfs/dbraw/zinc/75/61/56/511756156.db2.gz NXJBJRZNAFJIEB-LQWHRVPQSA-N 1 3 372.557 2.879 20 0 FFADHO CN(c1ccnc(Cc2ccccc2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363794386 511772452 /nfs/dbraw/zinc/77/24/52/511772452.db2.gz CBAOYWNBAHXHTO-HXUWFJFHSA-N 1 3 365.525 2.672 20 0 FFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955962 511816938 /nfs/dbraw/zinc/81/69/38/511816938.db2.gz IFSRUPIRAABTPY-TZMCWYRMSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955962 511816941 /nfs/dbraw/zinc/81/69/41/511816941.db2.gz IFSRUPIRAABTPY-TZMCWYRMSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000320955962 511816946 /nfs/dbraw/zinc/81/69/46/511816946.db2.gz IFSRUPIRAABTPY-TZMCWYRMSA-N 1 3 359.297 2.807 20 0 FFADHO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(OCCN(C)C)cc1 ZINC000274434260 511833267 /nfs/dbraw/zinc/83/32/67/511833267.db2.gz WGDUAPHSCIXYLM-HNNXBMFYSA-N 1 3 360.527 2.823 20 0 FFADHO COCC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000293272507 511902885 /nfs/dbraw/zinc/90/28/85/511902885.db2.gz CMUQBWFHYOMCFR-QGZVFWFLSA-N 1 3 350.503 2.721 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)CC1 ZINC000274811873 511949801 /nfs/dbraw/zinc/94/98/01/511949801.db2.gz NALXEMWCXBREJM-UXHICEINSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)CC1 ZINC000274811873 511949807 /nfs/dbraw/zinc/94/98/07/511949807.db2.gz NALXEMWCXBREJM-UXHICEINSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274936586 511993222 /nfs/dbraw/zinc/99/32/22/511993222.db2.gz SDDQTUQKTGGAFX-XPNTWCBSSA-N 1 3 372.601 2.760 20 0 FFADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000275206694 512075515 /nfs/dbraw/zinc/07/55/15/512075515.db2.gz JAIHZHJMQOJFRP-IOMROCGXSA-N 1 3 373.541 2.703 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)[C@H]2OCCc3sccc32)CC1 ZINC000366549915 512082753 /nfs/dbraw/zinc/08/27/53/512082753.db2.gz DSGQDSWRIGXSHY-QFBILLFUSA-N 1 3 351.560 2.756 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H]4CCN(C)C[C@H]43)CC2)CC1 ZINC000371560915 512466828 /nfs/dbraw/zinc/46/68/28/512466828.db2.gz PHYZASJEAOJGEX-YNIZLOQISA-N 1 3 362.562 2.765 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367408734 512485129 /nfs/dbraw/zinc/48/51/29/512485129.db2.gz YKWNJQKAAASYAA-WIYYLYMNSA-N 1 3 359.489 2.640 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000367690615 512616883 /nfs/dbraw/zinc/61/68/83/512616883.db2.gz UPJBNMRNXYHKGV-OAHLLOKOSA-N 1 3 374.451 2.833 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000411459784 512646534 /nfs/dbraw/zinc/64/65/34/512646534.db2.gz LHNAZUPNWNVPHS-KRWDZBQOSA-N 1 3 369.513 2.512 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000411471980 512652585 /nfs/dbraw/zinc/65/25/85/512652585.db2.gz HDRVTNXHWMSCOC-WIYYLYMNSA-N 1 3 373.541 2.733 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000372161020 512738963 /nfs/dbraw/zinc/73/89/63/512738963.db2.gz RXCRAACTWXYJCL-ICSRJNTNSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000372161020 512738966 /nfs/dbraw/zinc/73/89/66/512738966.db2.gz RXCRAACTWXYJCL-ICSRJNTNSA-N 1 3 371.529 2.577 20 0 FFADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000376340678 512776118 /nfs/dbraw/zinc/77/61/18/512776118.db2.gz XQVMVJDGHBRMEN-FXAWDEMLSA-N 1 3 361.530 2.974 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370128033 512781503 /nfs/dbraw/zinc/78/15/03/512781503.db2.gz CPWNRRNHUMPFOP-TZIWHRDSSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370128033 512781505 /nfs/dbraw/zinc/78/15/05/512781505.db2.gz CPWNRRNHUMPFOP-TZIWHRDSSA-N 1 3 370.541 2.919 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)cc2)CC1 ZINC000376396978 512800719 /nfs/dbraw/zinc/80/07/19/512800719.db2.gz QDLKYGVHIJAUEZ-NQIIRXRSSA-N 1 3 370.541 2.527 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)cc2)CC1 ZINC000376561776 512875128 /nfs/dbraw/zinc/87/51/28/512875128.db2.gz JJOQXELEHRZYGQ-WIYYLYMNSA-N 1 3 370.541 2.527 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000382721681 512879533 /nfs/dbraw/zinc/87/95/33/512879533.db2.gz NOEKZJXWVYHXNH-WIYYLYMNSA-N 1 3 351.494 2.852 20 0 FFADHO O=C(N[C@@H]1CCC[NH2+]CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000372504805 512907375 /nfs/dbraw/zinc/90/73/75/512907375.db2.gz RQJCZNAITCHDPO-AEFFLSMTSA-N 1 3 369.431 2.699 20 0 FFADHO O=C(N[C@H]1CCC[NH2+]CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000372504808 512907845 /nfs/dbraw/zinc/90/78/45/512907845.db2.gz RQJCZNAITCHDPO-WMZOPIPTSA-N 1 3 369.431 2.699 20 0 FFADHO C[C@@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[N@H+](C)Cc1ccccc1 ZINC000390792867 512910254 /nfs/dbraw/zinc/91/02/54/512910254.db2.gz XOGNCHUHVHAXRO-JXFKEZNVSA-N 1 3 364.493 2.674 20 0 FFADHO C[C@@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[N@@H+](C)Cc1ccccc1 ZINC000390792867 512910257 /nfs/dbraw/zinc/91/02/57/512910257.db2.gz XOGNCHUHVHAXRO-JXFKEZNVSA-N 1 3 364.493 2.674 20 0 FFADHO Cc1noc(C2CCC([NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000368361989 512913907 /nfs/dbraw/zinc/91/39/07/512913907.db2.gz FDNJHMQMBHNORE-QEFXCSQDSA-N 1 3 350.507 2.883 20 0 FFADHO COc1ccc(F)cc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397527830 512948134 /nfs/dbraw/zinc/94/81/34/512948134.db2.gz XOHMNHRFVCULFC-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cccc(CN2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000412097579 512958830 /nfs/dbraw/zinc/95/88/30/512958830.db2.gz VFMNEMHRCXJGRP-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc(CN2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000412097579 512958831 /nfs/dbraw/zinc/95/88/31/512958831.db2.gz VFMNEMHRCXJGRP-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000412097579 512958835 /nfs/dbraw/zinc/95/88/35/512958835.db2.gz VFMNEMHRCXJGRP-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000412097579 512958836 /nfs/dbraw/zinc/95/88/36/512958836.db2.gz VFMNEMHRCXJGRP-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1C ZINC000368586743 513012521 /nfs/dbraw/zinc/01/25/21/513012521.db2.gz YZCIFBKAPFYMIR-LPHOPBHVSA-N 1 3 355.482 2.812 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374834048 513027889 /nfs/dbraw/zinc/02/78/89/513027889.db2.gz HDFOCSMWELCTQR-CEWLAPEOSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374834048 513027894 /nfs/dbraw/zinc/02/78/94/513027894.db2.gz HDFOCSMWELCTQR-CEWLAPEOSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@@H+]1CCCC12CCN(C(=O)C1CCN(Cc3ccccc3)CC1)CC2 ZINC000374881701 513054215 /nfs/dbraw/zinc/05/42/15/513054215.db2.gz OHZMVDCVMBSRDJ-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO C[N@H+]1CCCC12CCN(C(=O)C1CCN(Cc3ccccc3)CC1)CC2 ZINC000374881701 513054218 /nfs/dbraw/zinc/05/42/18/513054218.db2.gz OHZMVDCVMBSRDJ-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCC1([NH3+])CCC1 ZINC000417674793 513154030 /nfs/dbraw/zinc/15/40/30/513154030.db2.gz AURSBAPOFPQHFO-GOSISDBHSA-N 1 3 358.530 2.640 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417685828 513160576 /nfs/dbraw/zinc/16/05/76/513160576.db2.gz POPOACXVBMSXNR-MOPGFXCFSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000417689563 513164232 /nfs/dbraw/zinc/16/42/32/513164232.db2.gz KLCFVLRTIGPEDH-GKBFQHABSA-N 1 3 370.541 2.981 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417693282 513166968 /nfs/dbraw/zinc/16/69/68/513166968.db2.gz ZQGALXYOXKUCGK-UXHICEINSA-N 1 3 372.557 2.853 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1ccccc1 ZINC000433899563 513180959 /nfs/dbraw/zinc/18/09/59/513180959.db2.gz ZZSRAHHAWMCWKN-UFYCRDLUSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1ccccc1 ZINC000433899563 513180966 /nfs/dbraw/zinc/18/09/66/513180966.db2.gz ZZSRAHHAWMCWKN-UFYCRDLUSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CCC[C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000417740442 513189956 /nfs/dbraw/zinc/18/99/56/513189956.db2.gz RPFLHGZGWSTKJW-KYJSFNMBSA-N 1 3 362.543 2.667 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417742605 513190040 /nfs/dbraw/zinc/19/00/40/513190040.db2.gz WDLBONSKFLJBOF-BFYDXBDKSA-N 1 3 352.548 2.948 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000433951416 513197090 /nfs/dbraw/zinc/19/70/90/513197090.db2.gz DBODNDZJWNEKFW-QUCCMNQESA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000433951416 513197094 /nfs/dbraw/zinc/19/70/94/513197094.db2.gz DBODNDZJWNEKFW-QUCCMNQESA-N 1 3 356.514 2.577 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433961364 513199723 /nfs/dbraw/zinc/19/97/23/513199723.db2.gz IFNIOYKOZPTDKV-IEBWSBKVSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433961364 513199731 /nfs/dbraw/zinc/19/97/31/513199731.db2.gz IFNIOYKOZPTDKV-IEBWSBKVSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417828306 513225042 /nfs/dbraw/zinc/22/50/42/513225042.db2.gz FEHBZOVEZLLOMF-HNBVOPMISA-N 1 3 358.530 2.808 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000417842431 513232837 /nfs/dbraw/zinc/23/28/37/513232837.db2.gz PTIDQZATXXIYSS-HOJAQTOUSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000417850949 513237775 /nfs/dbraw/zinc/23/77/75/513237775.db2.gz YDCUZOOHROPCGA-BTHPGYMESA-N 1 3 358.530 2.856 20 0 FFADHO CC(C)N(Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C2)cc1)C[C@H]1CCCCO1 ZINC000415413015 513247933 /nfs/dbraw/zinc/24/79/33/513247933.db2.gz YFACOBGWCLVLOU-VQTJNVASSA-N 1 3 374.529 2.950 20 0 FFADHO CCC1(CNC(=O)N2CCCNCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000417928142 513283211 /nfs/dbraw/zinc/28/32/11/513283211.db2.gz QVGGNYZSQFNHFB-UHFFFAOYSA-N 1 3 358.530 2.684 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000429133125 513287335 /nfs/dbraw/zinc/28/73/35/513287335.db2.gz GATYRKLJNHXBKC-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](NC(=O)NCCCNCc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417991359 513321422 /nfs/dbraw/zinc/32/14/22/513321422.db2.gz LJXXGDJXUUHFRE-HKUYNNGSSA-N 1 3 373.545 2.514 20 0 FFADHO C[C@H](NC(=O)NCCCNCc1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417991359 513321429 /nfs/dbraw/zinc/32/14/29/513321429.db2.gz LJXXGDJXUUHFRE-HKUYNNGSSA-N 1 3 373.545 2.514 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000418053532 513355536 /nfs/dbraw/zinc/35/55/36/513355536.db2.gz CMZDVYFLQTYNSV-NRFANRHFSA-N 1 3 368.525 2.852 20 0 FFADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418101735 513372402 /nfs/dbraw/zinc/37/24/02/513372402.db2.gz GOOZVRNXQJNJSF-CTNGQTDRSA-N 1 3 370.541 2.540 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000418133429 513385852 /nfs/dbraw/zinc/38/58/52/513385852.db2.gz GAYQITQLYYVGIK-PWRODBHTSA-N 1 3 370.541 2.584 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000418139900 513388655 /nfs/dbraw/zinc/38/86/55/513388655.db2.gz KDKHZFJIHBBUFF-YLJYHZDGSA-N 1 3 358.530 2.586 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418148781 513391400 /nfs/dbraw/zinc/39/14/00/513391400.db2.gz AILSNGLGIKXIQI-AQNXPRMDSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418151955 513393483 /nfs/dbraw/zinc/39/34/83/513393483.db2.gz GHXUGCZHKAEEIY-YTQUADARSA-N 1 3 358.530 2.666 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418155551 513394934 /nfs/dbraw/zinc/39/49/34/513394934.db2.gz LXACAOGPTFRECO-AQNXPRMDSA-N 1 3 370.541 2.538 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccco1 ZINC000418169483 513402646 /nfs/dbraw/zinc/40/26/46/513402646.db2.gz PZYOVMNKVXISBP-WMZOPIPTSA-N 1 3 358.486 2.879 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185223 513410390 /nfs/dbraw/zinc/41/03/90/513410390.db2.gz QVAUCDGFRODGSY-PBHICJAKSA-N 1 3 352.910 2.713 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418189820 513412663 /nfs/dbraw/zinc/41/26/63/513412663.db2.gz VTTGSNNEDHAOMM-SJORKVTESA-N 1 3 352.910 2.774 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418191924 513414737 /nfs/dbraw/zinc/41/47/37/513414737.db2.gz LQTORYUDZNAOFD-IRXDYDNUSA-N 1 3 370.488 2.770 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCN1Cc1ccccc1 ZINC000418193866 513416107 /nfs/dbraw/zinc/41/61/07/513416107.db2.gz NYAWDUVWYSUBHY-DUXKGJEZSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000418196724 513416271 /nfs/dbraw/zinc/41/62/71/513416271.db2.gz RXMOLKDLUFADLG-LJQANCHMSA-N 1 3 360.546 2.929 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000418207244 513421448 /nfs/dbraw/zinc/42/14/48/513421448.db2.gz PEIHNMOBZJLPQF-SFHVURJKSA-N 1 3 362.518 2.518 20 0 FFADHO COc1cc2[nH+]ccc(N3CCC(N4CCO[C@@H](C)C4)CC3)c2cc1OC ZINC000413080510 513431373 /nfs/dbraw/zinc/43/13/73/513431373.db2.gz OTZWAFXWOUDIMD-HNNXBMFYSA-N 1 3 371.481 2.942 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418228300 513431688 /nfs/dbraw/zinc/43/16/88/513431688.db2.gz DQMQJAIJLRNBKF-HFTRVMKXSA-N 1 3 364.559 2.699 20 0 FFADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000418230809 513432113 /nfs/dbraw/zinc/43/21/13/513432113.db2.gz JTSQFRMGMWMUJK-SJLPKXTDSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000447288609 513437278 /nfs/dbraw/zinc/43/72/78/513437278.db2.gz SBPVOCOEKIOJBX-SJORKVTESA-N 1 3 350.507 2.616 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000447288609 513437286 /nfs/dbraw/zinc/43/72/86/513437286.db2.gz SBPVOCOEKIOJBX-SJORKVTESA-N 1 3 350.507 2.616 20 0 FFADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000429681667 513441115 /nfs/dbraw/zinc/44/11/15/513441115.db2.gz WIJFRGDPUDUMGU-SFTDATJTSA-N 1 3 358.574 2.609 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000418371122 513486594 /nfs/dbraw/zinc/48/65/94/513486594.db2.gz XBCABDLECDOTLO-MOPGFXCFSA-N 1 3 362.518 2.505 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944010 513490920 /nfs/dbraw/zinc/49/09/20/513490920.db2.gz HISZDCXNLFKOKK-OXJNMPFZSA-N 1 3 368.481 2.666 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418415005 513499688 /nfs/dbraw/zinc/49/96/88/513499688.db2.gz SJPGLORMZDJCAT-PMACEKPBSA-N 1 3 360.546 2.710 20 0 FFADHO CC(C)[C@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418419308 513501615 /nfs/dbraw/zinc/50/16/15/513501615.db2.gz YTEYQWUIXWEKCW-MRXNPFEDSA-N 1 3 374.451 2.762 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418437239 513510122 /nfs/dbraw/zinc/51/01/22/513510122.db2.gz HQZQZUDEPAESPS-KRWDZBQOSA-N 1 3 354.926 2.787 20 0 FFADHO NCc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000415972446 513510155 /nfs/dbraw/zinc/51/01/55/513510155.db2.gz OVENTTSUCXXSPW-DZGCQCFKSA-N 1 3 356.392 2.912 20 0 FFADHO NCc1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000415972446 513510162 /nfs/dbraw/zinc/51/01/62/513510162.db2.gz OVENTTSUCXXSPW-DZGCQCFKSA-N 1 3 356.392 2.912 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000415977657 513513392 /nfs/dbraw/zinc/51/33/92/513513392.db2.gz SVRVZCIDIDJAEL-GOSISDBHSA-N 1 3 358.486 2.555 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000415977657 513513399 /nfs/dbraw/zinc/51/33/99/513513399.db2.gz SVRVZCIDIDJAEL-GOSISDBHSA-N 1 3 358.486 2.555 20 0 FFADHO N[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000418452373 513516763 /nfs/dbraw/zinc/51/67/63/513516763.db2.gz NWLSDUFBGOPAPT-AZUAARDMSA-N 1 3 358.530 2.984 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H](N)c3ccccc3)C2)CC1 ZINC000418454283 513517309 /nfs/dbraw/zinc/51/73/09/513517309.db2.gz QBFKCRKZAWJRSV-ICSRJNTNSA-N 1 3 358.530 2.840 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418463094 513521592 /nfs/dbraw/zinc/52/15/92/513521592.db2.gz KWLHSXUTZMMAHV-FQEVSTJZSA-N 1 3 360.546 2.854 20 0 FFADHO COc1ccccc1-n1nccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000430008065 513526985 /nfs/dbraw/zinc/52/69/85/513526985.db2.gz SLBOKIRBJLCOGH-QZTJIDSGSA-N 1 3 372.513 2.860 20 0 FFADHO C[C@@H](C[NH3+])CNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418481371 513528085 /nfs/dbraw/zinc/52/80/85/513528085.db2.gz DFUFZUYGEICBBI-PXNSSMCTSA-N 1 3 372.557 2.913 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418499225 513534921 /nfs/dbraw/zinc/53/49/21/513534921.db2.gz LHBFIOLTPDOYCI-FQEVSTJZSA-N 1 3 354.498 2.965 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418533675 513545961 /nfs/dbraw/zinc/54/59/61/513545961.db2.gz DQWUQSYSWRDJSO-UNMCSNQZSA-N 1 3 372.557 2.930 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418549131 513552433 /nfs/dbraw/zinc/55/24/33/513552433.db2.gz SQJDNIMFLWGOBB-LJQANCHMSA-N 1 3 366.937 2.803 20 0 FFADHO C[N@@H+]1CCN(CCNCc2ccc(Br)cc2F)CC1(C)C ZINC000441368776 513554024 /nfs/dbraw/zinc/55/40/24/513554024.db2.gz LEFNXLHULDIATE-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO CCN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418558289 513556929 /nfs/dbraw/zinc/55/69/29/513556929.db2.gz XHJHMDSIJCPBFD-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[NH+]1CCCC1 ZINC000441414469 513563528 /nfs/dbraw/zinc/56/35/28/513563528.db2.gz SYYZQZDHWRVMCO-WDYCEAGBSA-N 1 3 350.551 2.811 20 0 FFADHO CC[N@H+](CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C(C)C ZINC000425438859 513567403 /nfs/dbraw/zinc/56/74/03/513567403.db2.gz DSQFJFKGHUDNLS-VQTJNVASSA-N 1 3 358.530 2.633 20 0 FFADHO CC[N@@H+](CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C(C)C ZINC000425438859 513567406 /nfs/dbraw/zinc/56/74/06/513567406.db2.gz DSQFJFKGHUDNLS-VQTJNVASSA-N 1 3 358.530 2.633 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418595955 513571383 /nfs/dbraw/zinc/57/13/83/513571383.db2.gz XRFOVRAEVGGHSO-CQSZACIVSA-N 1 3 374.451 2.777 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418608107 513575919 /nfs/dbraw/zinc/57/59/19/513575919.db2.gz BFLIZPJBLRXEMB-HXUWFJFHSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000418609433 513576319 /nfs/dbraw/zinc/57/63/19/513576319.db2.gz SMGHMBQXEWNSEP-HNBVOPMISA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000418609710 513576571 /nfs/dbraw/zinc/57/65/71/513576571.db2.gz SPFKHDOEOOLDTC-PBHICJAKSA-N 1 3 352.910 2.554 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000418643029 513588378 /nfs/dbraw/zinc/58/83/78/513588378.db2.gz AXLDOCUUHBWSFZ-UXHICEINSA-N 1 3 372.488 2.990 20 0 FFADHO CN1CC=C(CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430220446 513590924 /nfs/dbraw/zinc/59/09/24/513590924.db2.gz RIQGWUHKQKYWFU-OAQYLSRUSA-N 1 3 356.514 2.602 20 0 FFADHO CN1CC=C(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430220446 513590930 /nfs/dbraw/zinc/59/09/30/513590930.db2.gz RIQGWUHKQKYWFU-OAQYLSRUSA-N 1 3 356.514 2.602 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@]3(C)CCC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000430221854 513591798 /nfs/dbraw/zinc/59/17/98/513591798.db2.gz UNMWXQWWXVPCBW-URVUXULASA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@]3(C)CCC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000430221854 513591806 /nfs/dbraw/zinc/59/18/06/513591806.db2.gz UNMWXQWWXVPCBW-URVUXULASA-N 1 3 370.541 2.777 20 0 FFADHO CCN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418651124 513593427 /nfs/dbraw/zinc/59/34/27/513593427.db2.gz XZBUBLMRLNDZJD-FQEVSTJZSA-N 1 3 356.514 2.602 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CCC([NH+](C)C)CC2)o1 ZINC000422246677 513655998 /nfs/dbraw/zinc/65/59/98/513655998.db2.gz TULPBDHKLIAHLR-UHFFFAOYSA-N 1 3 350.507 2.534 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418794173 513659522 /nfs/dbraw/zinc/65/95/22/513659522.db2.gz PEAIFJFXIPREFR-CEXWTWQISA-N 1 3 350.551 2.528 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425640511 513674786 /nfs/dbraw/zinc/67/47/86/513674786.db2.gz QLBKYBYZJBZAFS-VQTJNVASSA-N 1 3 358.530 2.764 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccccc2Br)C1 ZINC000430541655 513682149 /nfs/dbraw/zinc/68/21/49/513682149.db2.gz BRMXLOIXBOENHW-QWHCGFSZSA-N 1 3 354.292 2.837 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C(C)C)s1 ZINC000448139047 513684273 /nfs/dbraw/zinc/68/42/73/513684273.db2.gz XBMBDMSMXYHCIQ-HNNXBMFYSA-N 1 3 352.548 2.755 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425726026 513717856 /nfs/dbraw/zinc/71/78/56/513717856.db2.gz OBEAVDLQBGGIKZ-ZIBCJSCZSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425726026 513717860 /nfs/dbraw/zinc/71/78/60/513717860.db2.gz OBEAVDLQBGGIKZ-ZIBCJSCZSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000448255719 513720934 /nfs/dbraw/zinc/72/09/34/513720934.db2.gz KAZQMTSPXCCFRI-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCC[C@H](C)C1 ZINC000430738190 513737861 /nfs/dbraw/zinc/73/78/61/513737861.db2.gz FCNTZUQZPMQITG-IRXDYDNUSA-N 1 3 356.514 2.840 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000448468820 513764243 /nfs/dbraw/zinc/76/42/43/513764243.db2.gz WGQQHADIRMDXCZ-SFTDATJTSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000448468820 513764247 /nfs/dbraw/zinc/76/42/47/513764247.db2.gz WGQQHADIRMDXCZ-SFTDATJTSA-N 1 3 372.557 2.928 20 0 FFADHO NC1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCC1 ZINC000430870883 513770254 /nfs/dbraw/zinc/77/02/54/513770254.db2.gz WBHHAMIUERIPIR-UHFFFAOYSA-N 1 3 358.486 2.711 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)CC(F)(F)F ZINC000413738575 513793997 /nfs/dbraw/zinc/79/39/97/513793997.db2.gz ASWLJPGUFCPYLT-GJZGRUSLSA-N 1 3 366.472 2.632 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)CC(F)(F)F ZINC000413738575 513794001 /nfs/dbraw/zinc/79/40/01/513794001.db2.gz ASWLJPGUFCPYLT-GJZGRUSLSA-N 1 3 366.472 2.632 20 0 FFADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431019864 513805788 /nfs/dbraw/zinc/80/57/88/513805788.db2.gz TYIFFXXGVRJNCX-GOSISDBHSA-N 1 3 355.526 2.889 20 0 FFADHO CN(CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)Cc1ccccc1 ZINC000431044313 513812853 /nfs/dbraw/zinc/81/28/53/513812853.db2.gz IFQSAKVCVIOZAA-UHFFFAOYSA-N 1 3 364.493 2.852 20 0 FFADHO COCC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000431067365 513818195 /nfs/dbraw/zinc/81/81/95/513818195.db2.gz WCVOUMRPVQAAIW-UNMCSNQZSA-N 1 3 373.541 2.592 20 0 FFADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436296935 513821318 /nfs/dbraw/zinc/82/13/18/513821318.db2.gz UFKFKQGRCCHWHC-XMSQKQJNSA-N 1 3 368.525 2.547 20 0 FFADHO Fc1cc(CC[NH2+]C2CCN(c3ccncc3)CC2)c2c(c1)COCO2 ZINC000436470348 513861952 /nfs/dbraw/zinc/86/19/52/513861952.db2.gz JJNNMKYHKYCYOC-UHFFFAOYSA-N 1 3 357.429 2.888 20 0 FFADHO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccccc1CN(C)C ZINC000413938251 513889131 /nfs/dbraw/zinc/88/91/31/513889131.db2.gz KRIQGZQULRFIHA-UHFFFAOYSA-N 1 3 371.481 2.950 20 0 FFADHO c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(CN2CCOCC2)c1 ZINC000422687250 513902880 /nfs/dbraw/zinc/90/28/80/513902880.db2.gz BELQREFJMZVGSR-FDFHNCONSA-N 1 3 357.542 2.919 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422718176 513912459 /nfs/dbraw/zinc/91/24/59/513912459.db2.gz PGKSOFAJAAPAQQ-DFNIBXOVSA-N 1 3 357.498 2.563 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422735337 513917119 /nfs/dbraw/zinc/91/71/19/513917119.db2.gz UMONGWHXZBWLHK-PKOBYXMFSA-N 1 3 353.470 2.620 20 0 FFADHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422781631 513930684 /nfs/dbraw/zinc/93/06/84/513930684.db2.gz LVFFSLUYUOVEIG-CLAROIROSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422787400 513931630 /nfs/dbraw/zinc/93/16/30/513931630.db2.gz QFSADXMTOCZBEX-GDIGMMSISA-N 1 3 351.922 2.646 20 0 FFADHO CC[C@@H](CC(F)(F)F)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000448853870 513934013 /nfs/dbraw/zinc/93/40/13/513934013.db2.gz RDUYXBVBHIWWPX-GJZGRUSLSA-N 1 3 351.457 2.840 20 0 FFADHO CC[C@@H](CC(F)(F)F)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000448853870 513934018 /nfs/dbraw/zinc/93/40/18/513934018.db2.gz RDUYXBVBHIWWPX-GJZGRUSLSA-N 1 3 351.457 2.840 20 0 FFADHO c1ccc(N2CCN(CCCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422803661 513937242 /nfs/dbraw/zinc/93/72/42/513937242.db2.gz DHCGQBQCJCLIBT-BDTNDASRSA-N 1 3 356.558 2.709 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000422806136 513938522 /nfs/dbraw/zinc/93/85/22/513938522.db2.gz KFGIRFPLZLMZGZ-SNRMKQJTSA-N 1 3 351.922 2.820 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000422825622 513943843 /nfs/dbraw/zinc/94/38/43/513943843.db2.gz JVVKUXGVNIBMTQ-KFKAGJAMSA-N 1 3 350.466 2.867 20 0 FFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422830487 513946311 /nfs/dbraw/zinc/94/63/11/513946311.db2.gz IHUXHTIORNDNCK-LNRXMEIDSA-N 1 3 359.558 2.686 20 0 FFADHO C[C@H](NCC1(c2ccc(Br)cc2)CCOCC1)C1C[NH2+]C1 ZINC000422878813 513961114 /nfs/dbraw/zinc/96/11/14/513961114.db2.gz KTNNRKUYCPDUDQ-ZDUSSCGKSA-N 1 3 353.304 2.695 20 0 FFADHO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CNC1 ZINC000422878813 513961122 /nfs/dbraw/zinc/96/11/22/513961122.db2.gz KTNNRKUYCPDUDQ-ZDUSSCGKSA-N 1 3 353.304 2.695 20 0 FFADHO Cc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCOCC1 ZINC000422885985 513963621 /nfs/dbraw/zinc/96/36/21/513963621.db2.gz ZVMGXSLCFOJQOY-CEWLAPEOSA-N 1 3 358.526 2.790 20 0 FFADHO COC1CCN(C2(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)N)CCCC2)CC1 ZINC000422884731 513964861 /nfs/dbraw/zinc/96/48/61/513964861.db2.gz FMROJOLJUMZWCL-WIYYLYMNSA-N 1 3 359.558 2.958 20 0 FFADHO CCN1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422889849 513966941 /nfs/dbraw/zinc/96/69/41/513966941.db2.gz GZZNWDSGEGZFFT-RJGXRXQPSA-N 1 3 370.585 2.834 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416789550 513969116 /nfs/dbraw/zinc/96/91/16/513969116.db2.gz DMFYPQACNORQIK-OAQYLSRUSA-N 1 3 370.541 2.825 20 0 FFADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)cn1 ZINC000414108325 513977183 /nfs/dbraw/zinc/97/71/83/513977183.db2.gz JYQUDDLFQBDAJI-KRWDZBQOSA-N 1 3 369.509 2.768 20 0 FFADHO FC(F)(F)Oc1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422930380 513979157 /nfs/dbraw/zinc/97/91/57/513979157.db2.gz TYEGXHSAJBEKRW-OWCLPIDISA-N 1 3 358.404 2.874 20 0 FFADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000416829975 513986973 /nfs/dbraw/zinc/98/69/73/513986973.db2.gz GHDUKHPBLSYBEU-IRXDYDNUSA-N 1 3 364.559 2.915 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000416830860 513988998 /nfs/dbraw/zinc/98/89/98/513988998.db2.gz UUIUDQNCKBZJNZ-HKUYNNGSSA-N 1 3 362.518 2.505 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416837026 513992737 /nfs/dbraw/zinc/99/27/37/513992737.db2.gz HHGWFTVPZRFHIV-VQIMIIECSA-N 1 3 362.543 2.670 20 0 FFADHO CC(C)(CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000416837649 513994102 /nfs/dbraw/zinc/99/41/02/513994102.db2.gz XPWOJXWETRWJFT-MSOLQXFVSA-N 1 3 350.551 2.815 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000416838088 513994198 /nfs/dbraw/zinc/99/41/98/513994198.db2.gz ISULOXPSLKRKDM-CVEARBPZSA-N 1 3 350.532 2.669 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416841415 513997280 /nfs/dbraw/zinc/99/72/80/513997280.db2.gz MABSWBJTBLFDFR-HOTGVXAUSA-N 1 3 350.532 2.716 20 0 FFADHO CCC[C@H]1CNCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000416848492 514000566 /nfs/dbraw/zinc/00/05/66/514000566.db2.gz WVDXQUKAZUBWJC-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422992280 514001439 /nfs/dbraw/zinc/00/14/39/514001439.db2.gz RBNJKVBIBWLPJI-USXIJHARSA-N 1 3 360.420 2.986 20 0 FFADHO CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414183748 514002262 /nfs/dbraw/zinc/00/22/62/514002262.db2.gz FKFOYUASVJDQOQ-WOJBJXKFSA-N 1 3 351.579 2.978 20 0 FFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1N1CCOCC1 ZINC000422994151 514003493 /nfs/dbraw/zinc/00/34/93/514003493.db2.gz UQVZGHCBIHVTQK-CJNGLKHVSA-N 1 3 368.319 2.503 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000416857083 514007810 /nfs/dbraw/zinc/00/78/10/514007810.db2.gz XPNJBYQTMPCMHX-UONOGXRCSA-N 1 3 374.501 2.803 20 0 FFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423028139 514011664 /nfs/dbraw/zinc/01/16/64/514011664.db2.gz QEGQNUBKZMFPRK-BHDDXSALSA-N 1 3 372.557 2.786 20 0 FFADHO Fc1cc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423029740 514012320 /nfs/dbraw/zinc/01/23/20/514012320.db2.gz VIEUKFDYIRDZJN-JECZMYCTSA-N 1 3 367.896 2.805 20 0 FFADHO C[N@H+](CCCNC(=O)NC[C@@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000416866618 514013193 /nfs/dbraw/zinc/01/31/93/514013193.db2.gz BGXAXTGBAZCWJR-NRFANRHFSA-N 1 3 366.509 2.695 20 0 FFADHO C[N@@H+](CCCNC(=O)NC[C@@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000416866618 514013198 /nfs/dbraw/zinc/01/31/98/514013198.db2.gz BGXAXTGBAZCWJR-NRFANRHFSA-N 1 3 366.509 2.695 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423052181 514019108 /nfs/dbraw/zinc/01/91/08/514019108.db2.gz PYNDINUVASZBBJ-KKBVYLPWSA-N 1 3 359.436 2.650 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414298786 514038225 /nfs/dbraw/zinc/03/82/25/514038225.db2.gz ZNFJFYFQWVLTFC-AWEZNQCLSA-N 1 3 373.950 2.732 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414298786 514038229 /nfs/dbraw/zinc/03/82/29/514038229.db2.gz ZNFJFYFQWVLTFC-AWEZNQCLSA-N 1 3 373.950 2.732 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449071499 514060040 /nfs/dbraw/zinc/06/00/40/514060040.db2.gz HHJUTROOBLHMQO-MRXNPFEDSA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)C[NH+]1CCC(NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449071499 514060050 /nfs/dbraw/zinc/06/00/50/514060050.db2.gz HHJUTROOBLHMQO-MRXNPFEDSA-N 1 3 352.544 2.904 20 0 FFADHO Cc1ccc(C[C@@H](CO)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000423162479 514066692 /nfs/dbraw/zinc/06/66/92/514066692.db2.gz PLFVJXIMWXFWAB-VPSFDDGASA-N 1 3 367.331 2.781 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000416961429 514069754 /nfs/dbraw/zinc/06/97/54/514069754.db2.gz PJMFGPCGRZRXHX-OAQYLSRUSA-N 1 3 366.509 2.952 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449107945 514075089 /nfs/dbraw/zinc/07/50/89/514075089.db2.gz PIPMKIBDLSBYQW-RBBKRZOGSA-N 1 3 351.494 2.857 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416970263 514075449 /nfs/dbraw/zinc/07/54/49/514075449.db2.gz DPTHLXDWPKOAJN-UYAOXDASSA-N 1 3 358.530 2.510 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000416970590 514076279 /nfs/dbraw/zinc/07/62/79/514076279.db2.gz FIPHODOPNJVGFU-FXAWDEMLSA-N 1 3 358.530 2.871 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000416974395 514079662 /nfs/dbraw/zinc/07/96/62/514079662.db2.gz LEKAXBJBYHNRSL-SFHVURJKSA-N 1 3 358.530 2.600 20 0 FFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC1CCN(CCc2ccccc2)CC1 ZINC000416975062 514081370 /nfs/dbraw/zinc/08/13/70/514081370.db2.gz MGCZCMJSATVOBC-LJQANCHMSA-N 1 3 358.530 2.525 20 0 FFADHO Cc1ccc(F)c(N2CCC[C@H](N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2=O)c1 ZINC000420334842 514099589 /nfs/dbraw/zinc/09/95/89/514099589.db2.gz ULVDKOCMCZZLDR-LMMKCTJWSA-N 1 3 359.489 2.951 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341891 514100579 /nfs/dbraw/zinc/10/05/79/514100579.db2.gz QPVRFFQABJKUQH-MELADBBJSA-N 1 3 355.404 2.964 20 0 FFADHO C[C@H](Cn1cc(Br)ccc1=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423291139 514101420 /nfs/dbraw/zinc/10/14/20/514101420.db2.gz GZXPWSGLOLVKGV-OLZOCXBDSA-N 1 3 364.287 2.809 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294111 514102129 /nfs/dbraw/zinc/10/21/29/514102129.db2.gz SWTRTRDNDXAKEN-HUUCEWRRSA-N 1 3 361.511 2.821 20 0 FFADHO COc1cc(NC(=O)CCN[C@@H]2CC[NH2+]CC2(C)C)c(OC)cc1Cl ZINC000420372548 514113775 /nfs/dbraw/zinc/11/37/75/514113775.db2.gz YEYXEEDADVWXMD-MRXNPFEDSA-N 1 3 369.893 2.664 20 0 FFADHO COc1cc(NC(=O)CC[NH2+][C@@H]2CCNCC2(C)C)c(OC)cc1Cl ZINC000420372548 514113781 /nfs/dbraw/zinc/11/37/81/514113781.db2.gz YEYXEEDADVWXMD-MRXNPFEDSA-N 1 3 369.893 2.664 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cccc2ccoc21 ZINC000449214819 514115903 /nfs/dbraw/zinc/11/59/03/514115903.db2.gz MFCKRDAKKGJUMG-FQEVSTJZSA-N 1 3 365.477 2.812 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000417011742 514116584 /nfs/dbraw/zinc/11/65/84/514116584.db2.gz SVLLTDAYBGXUAM-FUHWJXTLSA-N 1 3 352.548 2.820 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000420380909 514116777 /nfs/dbraw/zinc/11/67/77/514116777.db2.gz XACVSAPMWQDJJX-BVGQSLNGSA-N 1 3 350.409 2.870 20 0 FFADHO CC[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000417015505 514121179 /nfs/dbraw/zinc/12/11/79/514121179.db2.gz MPGUISNVIBCGSU-DBVUQKKJSA-N 1 3 358.530 2.735 20 0 FFADHO CC(C)Oc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423380638 514123719 /nfs/dbraw/zinc/12/37/19/514123719.db2.gz HGVOUGBMRHZCAY-PBHICJAKSA-N 1 3 359.436 2.961 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423388343 514124743 /nfs/dbraw/zinc/12/47/43/514124743.db2.gz NKRBZMUGJWPNJQ-UAGQMJEPSA-N 1 3 353.532 2.638 20 0 FFADHO N[C@H](C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCC1 ZINC000423384867 514125576 /nfs/dbraw/zinc/12/55/76/514125576.db2.gz IEAKBGTZCLEQMO-NRFANRHFSA-N 1 3 357.542 2.965 20 0 FFADHO Cc1cc(C)c2c(c1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423396029 514128756 /nfs/dbraw/zinc/12/87/56/514128756.db2.gz SXVJSTUWIBDXFR-DLBZAZTESA-N 1 3 371.447 2.943 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423435710 514140928 /nfs/dbraw/zinc/14/09/28/514140928.db2.gz RGXRMHZNWRKAQL-IBGZPJMESA-N 1 3 353.551 2.634 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3ccncn3)CC2)CC1 ZINC000414473541 514141519 /nfs/dbraw/zinc/14/15/19/514141519.db2.gz VWYZFZGDNMBBPH-UHFFFAOYSA-N 1 3 365.525 2.998 20 0 FFADHO CN1CCO[C@@H]([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423448776 514143940 /nfs/dbraw/zinc/14/39/40/514143940.db2.gz VPFPCMHUSALAMO-NMLBUPMWSA-N 1 3 363.933 2.689 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000417074080 514154783 /nfs/dbraw/zinc/15/47/83/514154783.db2.gz UBDCRVBUPLGBKQ-UXHICEINSA-N 1 3 358.530 2.812 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449312146 514158712 /nfs/dbraw/zinc/15/87/12/514158712.db2.gz PHMUNPLGMHTQQU-JTHBVZDNSA-N 1 3 363.505 2.871 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cnccc1N(C)C ZINC000414530551 514165737 /nfs/dbraw/zinc/16/57/37/514165737.db2.gz ROPMVDHXUSWUSW-IFMALSPDSA-N 1 3 368.525 2.774 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cnccc1N(C)C ZINC000414530551 514165738 /nfs/dbraw/zinc/16/57/38/514165738.db2.gz ROPMVDHXUSWUSW-IFMALSPDSA-N 1 3 368.525 2.774 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnccc1N(C)C ZINC000414530551 514165740 /nfs/dbraw/zinc/16/57/40/514165740.db2.gz ROPMVDHXUSWUSW-IFMALSPDSA-N 1 3 368.525 2.774 20 0 FFADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3ccc(F)cc3)cc2)CC1 ZINC000414551957 514175664 /nfs/dbraw/zinc/17/56/64/514175664.db2.gz FYUSYLVICHUWPZ-UHFFFAOYSA-N 1 3 355.457 2.813 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427319064 514182172 /nfs/dbraw/zinc/18/21/72/514182172.db2.gz GMFPZMGQFUSTCZ-QUCCMNQESA-N 1 3 361.530 2.592 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1(C)C ZINC000423737212 514213214 /nfs/dbraw/zinc/21/32/14/514213214.db2.gz DWNALCLQIXAHAM-NQIIRXRSSA-N 1 3 361.530 2.629 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000417214650 514234973 /nfs/dbraw/zinc/23/49/73/514234973.db2.gz LHODIJWSXJBPKY-PWRODBHTSA-N 1 3 370.541 2.711 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000417218385 514239131 /nfs/dbraw/zinc/23/91/31/514239131.db2.gz GLPOWLZDERDNJP-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000417220590 514240582 /nfs/dbraw/zinc/24/05/82/514240582.db2.gz LWYWNIGNWKDETN-XLIONFOSSA-N 1 3 358.530 2.853 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417291208 514278113 /nfs/dbraw/zinc/27/81/13/514278113.db2.gz ABJVLRVSQDGXGF-HZPDHXFCSA-N 1 3 372.435 2.831 20 0 FFADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000420764925 514284622 /nfs/dbraw/zinc/28/46/22/514284622.db2.gz DKERNPRVFYZVAQ-FQEVSTJZSA-N 1 3 358.530 2.908 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)N(C)C)cc1 ZINC000417310743 514287884 /nfs/dbraw/zinc/28/78/84/514287884.db2.gz KSUCAIVQXLBDOW-UXHICEINSA-N 1 3 358.530 2.771 20 0 FFADHO CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)NCCN(C)C ZINC000417315552 514290674 /nfs/dbraw/zinc/29/06/74/514290674.db2.gz CLUDLRNJPLNNKJ-TWMKSMIVSA-N 1 3 351.560 2.922 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc(Br)c2c(c1)OCCO2 ZINC000414793782 514296972 /nfs/dbraw/zinc/29/69/72/514296972.db2.gz DYIWBIJTMBFUIU-JSGCOSHPSA-N 1 3 355.276 2.827 20 0 FFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[C@H](C)N)CC1 ZINC000414818137 514308459 /nfs/dbraw/zinc/30/84/59/514308459.db2.gz CYFHKLZREXYMHN-ZDUSSCGKSA-N 1 3 368.319 2.689 20 0 FFADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NCC[C@H](C)[NH3+] ZINC000414818952 514309537 /nfs/dbraw/zinc/30/95/37/514309537.db2.gz GHJOEKOCXLWLDR-WDEREUQCSA-N 1 3 355.504 2.586 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000414836919 514317432 /nfs/dbraw/zinc/31/74/32/514317432.db2.gz VBZXSKZJGXFBLU-QWHCGFSZSA-N 1 3 359.392 2.892 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414836919 514317438 /nfs/dbraw/zinc/31/74/38/514317438.db2.gz VBZXSKZJGXFBLU-QWHCGFSZSA-N 1 3 359.392 2.892 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420843354 514331379 /nfs/dbraw/zinc/33/13/79/514331379.db2.gz WOGACBMDIKCBKH-SGZDXZSOSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420848790 514333178 /nfs/dbraw/zinc/33/31/78/514333178.db2.gz SHZQKKAIWOFNCZ-ACAXCVFMSA-N 1 3 358.530 2.821 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC3CCC([NH+](C)C)CC3)CC2)CC1 ZINC000420905213 514367114 /nfs/dbraw/zinc/36/71/14/514367114.db2.gz QLITYACFSRGTRA-UHFFFAOYSA-N 1 3 350.551 2.765 20 0 FFADHO FC(F)(F)c1ccccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414986129 514387129 /nfs/dbraw/zinc/38/71/29/514387129.db2.gz NMBDGRCHJPYVET-CYBMUJFWSA-N 1 3 355.326 2.631 20 0 FFADHO CSc1ccccc1C[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414986869 514387971 /nfs/dbraw/zinc/38/79/71/514387971.db2.gz OCEZHYAXKVINQA-CZUORRHYSA-N 1 3 361.477 2.765 20 0 FFADHO CC(C)COc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414998301 514393061 /nfs/dbraw/zinc/39/30/61/514393061.db2.gz ZMQOAZOGPHNSEE-QGZVFWFLSA-N 1 3 359.436 2.647 20 0 FFADHO C[C@H]1C[C@@H]1N1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H](C)C1 ZINC000420957452 514399995 /nfs/dbraw/zinc/39/99/95/514399995.db2.gz BRLHZUILNQSUCV-DXIQSLLYSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@H]1C[C@@H]1N1CC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@H](C)C1 ZINC000420957452 514400003 /nfs/dbraw/zinc/40/00/03/514400003.db2.gz BRLHZUILNQSUCV-DXIQSLLYSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)N(C)Cc1ccccc1 ZINC000417575527 514415242 /nfs/dbraw/zinc/41/52/42/514415242.db2.gz FZYBVBXSJBTMDQ-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO CN(c1ccccc1CN[C@H](CC[NH3+])C(F)(F)F)C1CCN(C)CC1 ZINC000415053732 514418178 /nfs/dbraw/zinc/41/81/78/514418178.db2.gz KNPJFDWJEPHICY-QGZVFWFLSA-N 1 3 358.452 2.586 20 0 FFADHO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1c(Cl)cccc1Cl ZINC000415075984 514431722 /nfs/dbraw/zinc/43/17/22/514431722.db2.gz CBJMUVYFSGGJTL-OLZOCXBDSA-N 1 3 358.313 2.884 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417623806 514440609 /nfs/dbraw/zinc/44/06/09/514440609.db2.gz JKNGTYLFAZNXME-MRXNPFEDSA-N 1 3 356.580 2.555 20 0 FFADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)cc1 ZINC000415103585 514445811 /nfs/dbraw/zinc/44/58/11/514445811.db2.gz CNBDIUYDSMLSQK-MRXNPFEDSA-N 1 3 374.529 2.615 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000415112037 514448249 /nfs/dbraw/zinc/44/82/49/514448249.db2.gz COTWKDBQVTTWKQ-NQIIRXRSSA-N 1 3 369.484 2.896 20 0 FFADHO C[C@@H]1CC2(CN1Cc1cc3c(cc1OC(F)F)OCO3)CC[NH2+]CC2 ZINC000424377065 514464844 /nfs/dbraw/zinc/46/48/44/514464844.db2.gz LQUTUAHUBDWHMV-GFCCVEGCSA-N 1 3 354.397 2.981 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000433569604 514517702 /nfs/dbraw/zinc/51/77/02/514517702.db2.gz RWBITRPZSNQMDD-TZIWHRDSSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000433569604 514517710 /nfs/dbraw/zinc/51/77/10/514517710.db2.gz RWBITRPZSNQMDD-TZIWHRDSSA-N 1 3 370.541 2.967 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)N(C)C)cc1 ZINC000433600765 514527647 /nfs/dbraw/zinc/52/76/47/514527647.db2.gz UDQWEXYOWWTDDD-UXHICEINSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)N(C)C)cc1 ZINC000433600765 514527655 /nfs/dbraw/zinc/52/76/55/514527655.db2.gz UDQWEXYOWWTDDD-UXHICEINSA-N 1 3 358.530 2.914 20 0 FFADHO OC1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453081144 514538505 /nfs/dbraw/zinc/53/85/05/514538505.db2.gz FHQKVGLKJSWADY-ZLNRFVROSA-N 1 3 371.569 2.866 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21)N1CCN(C)CC1 ZINC000453095971 514543341 /nfs/dbraw/zinc/54/33/41/514543341.db2.gz HUCCZIGTSMCSRO-PNJWGLBASA-N 1 3 370.585 2.655 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000466036729 514544435 /nfs/dbraw/zinc/54/44/35/514544435.db2.gz PIAGBAATZUDDJA-HOCLYGCPSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000466036729 514544444 /nfs/dbraw/zinc/54/44/44/514544444.db2.gz PIAGBAATZUDDJA-HOCLYGCPSA-N 1 3 368.472 2.521 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ncc(-c2ccccc2)n1C ZINC000453111515 514547454 /nfs/dbraw/zinc/54/74/54/514547454.db2.gz OSRATHMGJRHIMY-MJGOQNOKSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ncc(-c2ccccc2)n1C ZINC000453111515 514547461 /nfs/dbraw/zinc/54/74/61/514547461.db2.gz OSRATHMGJRHIMY-MJGOQNOKSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000466104414 514560230 /nfs/dbraw/zinc/56/02/30/514560230.db2.gz ONSCAGHBSJNDFU-RYRKJORJSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000466104414 514560239 /nfs/dbraw/zinc/56/02/39/514560239.db2.gz ONSCAGHBSJNDFU-RYRKJORJSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475142506 514571076 /nfs/dbraw/zinc/57/10/76/514571076.db2.gz ZBEHKRONBFHPPB-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475142506 514571082 /nfs/dbraw/zinc/57/10/82/514571082.db2.gz ZBEHKRONBFHPPB-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000470684194 514573449 /nfs/dbraw/zinc/57/34/49/514573449.db2.gz FYTHQYOTOFBIMQ-UHFFFAOYSA-N 1 3 360.546 2.632 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000466220734 514580580 /nfs/dbraw/zinc/58/05/80/514580580.db2.gz FCRUBRDODNEBND-UZLBHIALSA-N 1 3 358.530 2.810 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@H+](C)C(C)C)N(C)C)cc1 ZINC000458192586 514613850 /nfs/dbraw/zinc/61/38/50/514613850.db2.gz FAERKSOXZNZJPD-KRWDZBQOSA-N 1 3 352.548 2.651 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000458192586 514613857 /nfs/dbraw/zinc/61/38/57/514613857.db2.gz FAERKSOXZNZJPD-KRWDZBQOSA-N 1 3 352.548 2.651 20 0 FFADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC(=O)N1 ZINC000453425071 514630223 /nfs/dbraw/zinc/63/02/23/514630223.db2.gz NXBXIOXAVIKZHI-GPQLQYNLSA-N 1 3 355.526 2.936 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3coc4cc(F)ccc34)CC2)CC1 ZINC000479561426 514631494 /nfs/dbraw/zinc/63/14/94/514631494.db2.gz DCOUHGVAUYVJMG-UHFFFAOYSA-N 1 3 373.472 2.789 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000455620943 514641761 /nfs/dbraw/zinc/64/17/61/514641761.db2.gz SNNUDZVUDQTKKL-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CN1Cc1ccccc1 ZINC000455620943 514641768 /nfs/dbraw/zinc/64/17/68/514641768.db2.gz SNNUDZVUDQTKKL-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000466420716 514643471 /nfs/dbraw/zinc/64/34/71/514643471.db2.gz FNIUYSJQCPRAID-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000508043481 514646209 /nfs/dbraw/zinc/64/62/09/514646209.db2.gz IUXQDGYCQQSCSU-IRXDYDNUSA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000508043481 514646222 /nfs/dbraw/zinc/64/62/22/514646222.db2.gz IUXQDGYCQQSCSU-IRXDYDNUSA-N 1 3 374.520 2.869 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000484466615 514660521 /nfs/dbraw/zinc/66/05/21/514660521.db2.gz MUIJPORNNXIBKP-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000484466615 514660530 /nfs/dbraw/zinc/66/05/30/514660530.db2.gz MUIJPORNNXIBKP-DFQSSKMNSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470896669 514661912 /nfs/dbraw/zinc/66/19/12/514661912.db2.gz HKGWONVOZJUTQI-SCTDSRPQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470896669 514661921 /nfs/dbraw/zinc/66/19/21/514661921.db2.gz HKGWONVOZJUTQI-SCTDSRPQSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN(C2CCC2)C1 ZINC000489072287 514695919 /nfs/dbraw/zinc/69/59/19/514695919.db2.gz JTSXTRYPUDAKIH-AEFFLSMTSA-N 1 3 352.567 2.869 20 0 FFADHO CCN1CC[C@H]2OCCN(C(=O)c3ccc(C[N@H+](CC)C4CC4)cc3)[C@H]2C1 ZINC000502645422 514727031 /nfs/dbraw/zinc/72/70/31/514727031.db2.gz AOGZXLYLFCEJMC-LEWJYISDSA-N 1 3 371.525 2.606 20 0 FFADHO CCN1CC[C@H]2OCCN(C(=O)c3ccc(C[N@@H+](CC)C4CC4)cc3)[C@H]2C1 ZINC000502645422 514727039 /nfs/dbraw/zinc/72/70/39/514727039.db2.gz AOGZXLYLFCEJMC-LEWJYISDSA-N 1 3 371.525 2.606 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458359540 514730154 /nfs/dbraw/zinc/73/01/54/514730154.db2.gz ONHBMGIMHQFCRM-UYAOXDASSA-N 1 3 350.551 2.768 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458359540 514730165 /nfs/dbraw/zinc/73/01/65/514730165.db2.gz ONHBMGIMHQFCRM-UYAOXDASSA-N 1 3 350.551 2.768 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccco1 ZINC000479813645 514732097 /nfs/dbraw/zinc/73/20/97/514732097.db2.gz JDFUGRFNJGBDLK-GVDBMIGSSA-N 1 3 350.507 2.882 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)[C@@H]2C1 ZINC000498105471 514762460 /nfs/dbraw/zinc/76/24/60/514762460.db2.gz BGFJGHDJCBAVGG-WIYYLYMNSA-N 1 3 370.541 2.908 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000489250796 514770149 /nfs/dbraw/zinc/77/01/49/514770149.db2.gz IUEOAWGGWVMHQZ-UWVAXJGDSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000489250796 514770158 /nfs/dbraw/zinc/77/01/58/514770158.db2.gz IUEOAWGGWVMHQZ-UWVAXJGDSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489293581 514786190 /nfs/dbraw/zinc/78/61/90/514786190.db2.gz NLGBBZSCJDIBAM-RSPOEFSDSA-N 1 3 358.530 2.994 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc2cc[nH]c21 ZINC000466859003 514804171 /nfs/dbraw/zinc/80/41/71/514804171.db2.gz LQOPLNMRNNFUPW-LJQANCHMSA-N 1 3 371.529 2.725 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc2cc[nH]c21 ZINC000466859003 514804184 /nfs/dbraw/zinc/80/41/84/514804184.db2.gz LQOPLNMRNNFUPW-LJQANCHMSA-N 1 3 371.529 2.725 20 0 FFADHO C[C@H]1CC[N@H+](C)CCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502849749 514808960 /nfs/dbraw/zinc/80/89/60/514808960.db2.gz YTZZZHVJNQIJTD-KRWDZBQOSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502849749 514808971 /nfs/dbraw/zinc/80/89/71/514808971.db2.gz YTZZZHVJNQIJTD-KRWDZBQOSA-N 1 3 358.530 2.559 20 0 FFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000508579736 514828119 /nfs/dbraw/zinc/82/81/19/514828119.db2.gz QPSGVSBHPSUEDM-PMACEKPBSA-N 1 3 361.530 2.560 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000502895502 514833021 /nfs/dbraw/zinc/83/30/21/514833021.db2.gz IHDFTWITJHYZRI-AZUAARDMSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000502895502 514833027 /nfs/dbraw/zinc/83/30/27/514833027.db2.gz IHDFTWITJHYZRI-AZUAARDMSA-N 1 3 374.529 2.614 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000458495388 514845854 /nfs/dbraw/zinc/84/58/54/514845854.db2.gz CAXIDOACNJIKMM-OAQYLSRUSA-N 1 3 364.578 2.872 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000458524826 514871775 /nfs/dbraw/zinc/87/17/75/514871775.db2.gz ZUCBJRLCRMJQDX-IRXDYDNUSA-N 1 3 352.548 2.694 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000503040015 514892116 /nfs/dbraw/zinc/89/21/16/514892116.db2.gz SEVGIZNYQGOCGI-PMACEKPBSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000503040015 514892124 /nfs/dbraw/zinc/89/21/24/514892124.db2.gz SEVGIZNYQGOCGI-PMACEKPBSA-N 1 3 360.546 2.723 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000476055415 514899804 /nfs/dbraw/zinc/89/98/04/514899804.db2.gz WBXMOYHCUOSTBW-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000476055415 514899814 /nfs/dbraw/zinc/89/98/14/514899814.db2.gz WBXMOYHCUOSTBW-IRLDBZIGSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@@H]1c1ccccc1 ZINC000458566649 514906615 /nfs/dbraw/zinc/90/66/15/514906615.db2.gz BYUHPDRAKHNWMU-ZJOUEHCJSA-N 1 3 356.514 2.559 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[C@@H]1c1ccccc1 ZINC000458566649 514906625 /nfs/dbraw/zinc/90/66/25/514906625.db2.gz BYUHPDRAKHNWMU-ZJOUEHCJSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@H]1CCN(C)CCN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000503099118 514918340 /nfs/dbraw/zinc/91/83/40/514918340.db2.gz XSWSNJSJAWISLV-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO COc1cc2c(cc1F)CC[C@@H]2N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000467353985 514984842 /nfs/dbraw/zinc/98/48/42/514984842.db2.gz FDAMGKPZHBYJCD-ROUUACIJSA-N 1 3 365.493 2.504 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498688760 515024862 /nfs/dbraw/zinc/02/48/62/515024862.db2.gz HXMYZRNOFCCQBX-CUWPLCDZSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498688760 515024871 /nfs/dbraw/zinc/02/48/71/515024871.db2.gz HXMYZRNOFCCQBX-CUWPLCDZSA-N 1 3 370.541 2.775 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000489966207 515050849 /nfs/dbraw/zinc/05/08/49/515050849.db2.gz PAZMADFYBYHEDR-JOCHJYFZSA-N 1 3 356.558 2.794 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000458770123 515079745 /nfs/dbraw/zinc/07/97/45/515079745.db2.gz XRMMSQLYTMHNHQ-GOSISDBHSA-N 1 3 364.534 2.716 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000462517459 515101530 /nfs/dbraw/zinc/10/15/30/515101530.db2.gz PQKBDOAWXXSQHL-HBFSDRIKSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000462517459 515101540 /nfs/dbraw/zinc/10/15/40/515101540.db2.gz PQKBDOAWXXSQHL-HBFSDRIKSA-N 1 3 358.530 2.538 20 0 FFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000462614139 515153324 /nfs/dbraw/zinc/15/33/24/515153324.db2.gz IOFZLXPIABLUPE-QAPCUYQASA-N 1 3 352.498 2.848 20 0 FFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000462614139 515153337 /nfs/dbraw/zinc/15/33/37/515153337.db2.gz IOFZLXPIABLUPE-QAPCUYQASA-N 1 3 352.498 2.848 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCN3CCC4(CCCCC4)CC3)C2)C1 ZINC000490294876 515168588 /nfs/dbraw/zinc/16/85/88/515168588.db2.gz XRSWGZPYKYGMTJ-NRFANRHFSA-N 1 3 362.562 2.770 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NCCN3CCC4(CCCCC4)CC3)C2)C1 ZINC000490294876 515168590 /nfs/dbraw/zinc/16/85/90/515168590.db2.gz XRSWGZPYKYGMTJ-NRFANRHFSA-N 1 3 362.562 2.770 20 0 FFADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000472653526 515352549 /nfs/dbraw/zinc/35/25/49/515352549.db2.gz MLWOVKNFXAZAMQ-GOSISDBHSA-N 1 3 359.514 2.961 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ccc2ccccc21 ZINC000499519214 515355371 /nfs/dbraw/zinc/35/53/71/515355371.db2.gz GOZGUNCGWWHKPZ-FQEVSTJZSA-N 1 3 370.541 2.906 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ccc2ccccc21 ZINC000499519214 515355376 /nfs/dbraw/zinc/35/53/76/515355376.db2.gz GOZGUNCGWWHKPZ-FQEVSTJZSA-N 1 3 370.541 2.906 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2ccccc2C1 ZINC000504777999 515373768 /nfs/dbraw/zinc/37/37/68/515373768.db2.gz HTJWVWVEWHBVNJ-UXHICEINSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCc2ccccc2C1 ZINC000504777999 515373774 /nfs/dbraw/zinc/37/37/74/515373774.db2.gz HTJWVWVEWHBVNJ-UXHICEINSA-N 1 3 370.541 2.749 20 0 FFADHO CC(C)N1CCC(O)(C[NH2+][C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)CC1 ZINC000468559012 515413911 /nfs/dbraw/zinc/41/39/11/515413911.db2.gz GGJJNDPYEWLNKP-TZIWHRDSSA-N 1 3 359.558 2.722 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459252410 515423901 /nfs/dbraw/zinc/42/39/01/515423901.db2.gz GXQVZLHLISFCNE-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459252410 515423910 /nfs/dbraw/zinc/42/39/10/515423910.db2.gz GXQVZLHLISFCNE-QGZVFWFLSA-N 1 3 364.509 2.631 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000486313212 515433698 /nfs/dbraw/zinc/43/36/98/515433698.db2.gz ARJXQIHUIQTVQS-VQIMIIECSA-N 1 3 363.933 2.962 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000486313212 515433708 /nfs/dbraw/zinc/43/37/08/515433708.db2.gz ARJXQIHUIQTVQS-VQIMIIECSA-N 1 3 363.933 2.962 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000481786083 515466543 /nfs/dbraw/zinc/46/65/43/515466543.db2.gz RNGXANXHYXOSQZ-LJQANCHMSA-N 1 3 370.607 2.577 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000481786083 515466550 /nfs/dbraw/zinc/46/65/50/515466550.db2.gz RNGXANXHYXOSQZ-LJQANCHMSA-N 1 3 370.607 2.577 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)NCCN(C)C3CC3)c2)CC1 ZINC000491829632 515473264 /nfs/dbraw/zinc/47/32/64/515473264.db2.gz GOLHYLLRPOSVTG-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000473213388 515539450 /nfs/dbraw/zinc/53/94/50/515539450.db2.gz FJQBXOOSLATHPY-WSTZPKSXSA-N 1 3 367.578 2.891 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)CCc4ccccc4C3)CC2)CC1 ZINC000463620041 515561766 /nfs/dbraw/zinc/56/17/66/515561766.db2.gz DNVUKDWFYAACOD-QHCPKHFHSA-N 1 3 369.553 2.856 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000510526071 515568518 /nfs/dbraw/zinc/56/85/18/515568518.db2.gz OPWCNTFFLUQAOW-UZLBHIALSA-N 1 3 358.530 2.801 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000510526071 515568528 /nfs/dbraw/zinc/56/85/28/515568528.db2.gz OPWCNTFFLUQAOW-UZLBHIALSA-N 1 3 358.530 2.801 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000505551700 515582981 /nfs/dbraw/zinc/58/29/81/515582981.db2.gz WXPJWWTVMCVQNO-IRLDBZIGSA-N 1 3 355.526 2.843 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000505551700 515582989 /nfs/dbraw/zinc/58/29/89/515582989.db2.gz WXPJWWTVMCVQNO-IRLDBZIGSA-N 1 3 355.526 2.843 20 0 FFADHO COc1cc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)ccc1OCCO ZINC000459481578 515584120 /nfs/dbraw/zinc/58/41/20/515584120.db2.gz WXQSLASWDWRVKL-INIZCTEOSA-N 1 3 371.481 2.781 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2ccccc2C1 ZINC000493147878 515601914 /nfs/dbraw/zinc/60/19/14/515601914.db2.gz LINWVJIEZQNOQH-AVRDEDQJSA-N 1 3 371.525 2.570 20 0 FFADHO CC(C)(C[NH+]1CCCC1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000457047789 515606686 /nfs/dbraw/zinc/60/66/86/515606686.db2.gz ILHHMUNYSWWBBW-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000493811038 515666196 /nfs/dbraw/zinc/66/61/96/515666196.db2.gz BCNNTLCYIRQOJN-QHAWAJNXSA-N 1 3 370.541 2.531 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CCc3ccccc3OC2)(N2CCCCC2)CC1 ZINC000493882729 515675098 /nfs/dbraw/zinc/67/50/98/515675098.db2.gz JRBLRZSCNSKREK-FQEVSTJZSA-N 1 3 357.542 2.920 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000510818999 515680221 /nfs/dbraw/zinc/68/02/21/515680221.db2.gz AORSAWUJHNPHJF-SFHVURJKSA-N 1 3 361.530 2.550 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2ncccc2c1 ZINC000505817009 515684740 /nfs/dbraw/zinc/68/47/40/515684740.db2.gz DUHXEEYVLDOQPD-LJQANCHMSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2ncccc2c1 ZINC000505817009 515684751 /nfs/dbraw/zinc/68/47/51/515684751.db2.gz DUHXEEYVLDOQPD-LJQANCHMSA-N 1 3 354.498 2.723 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000493924813 515687736 /nfs/dbraw/zinc/68/77/36/515687736.db2.gz GRIRFFOGGOAUIA-APWZRJJASA-N 1 3 364.509 2.848 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000493924813 515687742 /nfs/dbraw/zinc/68/77/42/515687742.db2.gz GRIRFFOGGOAUIA-APWZRJJASA-N 1 3 364.509 2.848 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000510969180 515731851 /nfs/dbraw/zinc/73/18/51/515731851.db2.gz PEEYEPCEUKJNJF-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000510969180 515731860 /nfs/dbraw/zinc/73/18/60/515731860.db2.gz PEEYEPCEUKJNJF-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO COC[C@H](CC(C)C)[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000482633246 515746401 /nfs/dbraw/zinc/74/64/01/515746401.db2.gz HFWQMXNXWJWHCI-PMACEKPBSA-N 1 3 361.530 2.535 20 0 FFADHO COC[C@H](CC(C)C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482633246 515746409 /nfs/dbraw/zinc/74/64/09/515746409.db2.gz HFWQMXNXWJWHCI-PMACEKPBSA-N 1 3 361.530 2.535 20 0 FFADHO COC[C@H](CC(C)C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482633246 515746417 /nfs/dbraw/zinc/74/64/17/515746417.db2.gz HFWQMXNXWJWHCI-PMACEKPBSA-N 1 3 361.530 2.535 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000469344850 515778085 /nfs/dbraw/zinc/77/80/85/515778085.db2.gz QNVRUOMOJIIWHT-KDURUIRLSA-N 1 3 372.557 2.821 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000469344850 515778093 /nfs/dbraw/zinc/77/80/93/515778093.db2.gz QNVRUOMOJIIWHT-KDURUIRLSA-N 1 3 372.557 2.821 20 0 FFADHO COc1ccc2c(c1)[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)CCC2 ZINC000482873162 515832106 /nfs/dbraw/zinc/83/21/06/515832106.db2.gz KICUZZDTBVYBKI-HXUWFJFHSA-N 1 3 359.514 2.605 20 0 FFADHO COc1cc(F)c([C@@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000482889731 515838564 /nfs/dbraw/zinc/83/85/64/515838564.db2.gz PDSMPXDUQKRTOX-HUUCEWRRSA-N 1 3 354.466 2.730 20 0 FFADHO COc1cc(F)c([C@@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000482889731 515838572 /nfs/dbraw/zinc/83/85/72/515838572.db2.gz PDSMPXDUQKRTOX-HUUCEWRRSA-N 1 3 354.466 2.730 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494490908 515861912 /nfs/dbraw/zinc/86/19/12/515861912.db2.gz HYEGTOOCMAWXMO-BXXSPATCSA-N 1 3 371.569 2.988 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494490908 515861917 /nfs/dbraw/zinc/86/19/17/515861917.db2.gz HYEGTOOCMAWXMO-BXXSPATCSA-N 1 3 371.569 2.988 20 0 FFADHO CC[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000494490908 515861925 /nfs/dbraw/zinc/86/19/25/515861925.db2.gz HYEGTOOCMAWXMO-BXXSPATCSA-N 1 3 371.569 2.988 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454985145 515876681 /nfs/dbraw/zinc/87/66/81/515876681.db2.gz RTMSBUGWZXOEIX-NJYVYQBISA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454985145 515876696 /nfs/dbraw/zinc/87/66/96/515876696.db2.gz RTMSBUGWZXOEIX-NJYVYQBISA-N 1 3 370.541 2.634 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000487543709 515899785 /nfs/dbraw/zinc/89/97/85/515899785.db2.gz UMXGPTLZDXFAID-CTNGQTDRSA-N 1 3 358.530 2.807 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000487543709 515899794 /nfs/dbraw/zinc/89/97/94/515899794.db2.gz UMXGPTLZDXFAID-CTNGQTDRSA-N 1 3 358.530 2.807 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)c(C)c2)CC1 ZINC000506617741 515934492 /nfs/dbraw/zinc/93/44/92/515934492.db2.gz JZIAMZVDKXLMND-UIFIKXQLSA-N 1 3 370.541 2.996 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3C(C)(C)C3(C)C)CC2)CC1 ZINC000474247278 515954016 /nfs/dbraw/zinc/95/40/16/515954016.db2.gz IDTDGDNBCAYNBP-UHFFFAOYSA-N 1 3 350.551 2.526 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457564035 515975538 /nfs/dbraw/zinc/97/55/38/515975538.db2.gz VXAHDTFHNNKBFV-UHFFFAOYSA-N 1 3 359.514 2.967 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H](C)C1 ZINC000487849908 516007376 /nfs/dbraw/zinc/00/73/76/516007376.db2.gz JAKOSUYJNBBFTI-UAFMIMERSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C[C@H](C)C1 ZINC000487849908 516007385 /nfs/dbraw/zinc/00/73/85/516007385.db2.gz JAKOSUYJNBBFTI-UAFMIMERSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@H](C)C1 ZINC000487860005 516011686 /nfs/dbraw/zinc/01/16/86/516011686.db2.gz ODAOLLAJBLTJJI-HSALFYBXSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000455182350 516019485 /nfs/dbraw/zinc/01/94/85/516019485.db2.gz DHZFMZLZQMWMNO-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000457640799 516031895 /nfs/dbraw/zinc/03/18/95/516031895.db2.gz RSKGWMLYQRLVKJ-FQEVSTJZSA-N 1 3 372.557 2.725 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000457640799 516031907 /nfs/dbraw/zinc/03/19/07/516031907.db2.gz RSKGWMLYQRLVKJ-FQEVSTJZSA-N 1 3 372.557 2.725 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000479072050 516045800 /nfs/dbraw/zinc/04/58/00/516045800.db2.gz UOOCWYMYIHUQSD-CRAIPNDOSA-N 1 3 369.575 2.968 20 0 FFADHO CC(C)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)ccc1F ZINC000479071300 516046630 /nfs/dbraw/zinc/04/66/30/516046630.db2.gz SDRRRGSVEOKDAJ-FQEVSTJZSA-N 1 3 369.500 2.642 20 0 FFADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000479072079 516046865 /nfs/dbraw/zinc/04/68/65/516046865.db2.gz UOOCWYMYIHUQSD-QAPCUYQASA-N 1 3 369.575 2.968 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1N1CCCC1 ZINC000483390917 516061733 /nfs/dbraw/zinc/06/17/33/516061733.db2.gz HHMSUCHEWHAGKQ-QXAKKESOSA-N 1 3 365.587 2.679 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1N1CCCC1 ZINC000483390917 516061744 /nfs/dbraw/zinc/06/17/44/516061744.db2.gz HHMSUCHEWHAGKQ-QXAKKESOSA-N 1 3 365.587 2.679 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)N1CCc2ccccc2C1 ZINC000501328274 516064041 /nfs/dbraw/zinc/06/40/41/516064041.db2.gz CXQDNOZVUXDNAS-NQIIRXRSSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)N1CCc2ccccc2C1 ZINC000501328274 516064048 /nfs/dbraw/zinc/06/40/48/516064048.db2.gz CXQDNOZVUXDNAS-NQIIRXRSSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C)C1 ZINC000501494423 516125254 /nfs/dbraw/zinc/12/52/54/516125254.db2.gz JKLWGUULYQPJAE-INDMIFKZSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C)C1 ZINC000501494423 516125268 /nfs/dbraw/zinc/12/52/68/516125268.db2.gz JKLWGUULYQPJAE-INDMIFKZSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488172501 516142077 /nfs/dbraw/zinc/14/20/77/516142077.db2.gz BJTCFTHUCNKKCI-ZJOUEHCJSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488172501 516142092 /nfs/dbraw/zinc/14/20/92/516142092.db2.gz BJTCFTHUCNKKCI-ZJOUEHCJSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000465423677 516146173 /nfs/dbraw/zinc/14/61/73/516146173.db2.gz NOPYOHXAIGABSM-PMACEKPBSA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000465423677 516146181 /nfs/dbraw/zinc/14/61/81/516146181.db2.gz NOPYOHXAIGABSM-PMACEKPBSA-N 1 3 360.546 2.675 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000460472536 516160279 /nfs/dbraw/zinc/16/02/79/516160279.db2.gz XMLGUVDTYHUKSI-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000460473628 516160423 /nfs/dbraw/zinc/16/04/23/516160423.db2.gz RTICGEANGJVCEP-LJQANCHMSA-N 1 3 370.607 2.721 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000495455766 516168054 /nfs/dbraw/zinc/16/80/54/516168054.db2.gz RRINOCXEWYXTCF-GPMSIDNRSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000479377662 516170160 /nfs/dbraw/zinc/17/01/60/516170160.db2.gz PFICGYSYBSLTTJ-BZSNNMDCSA-N 1 3 360.546 2.914 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000507383219 516196313 /nfs/dbraw/zinc/19/63/13/516196313.db2.gz SFWCWRJHYPZKOM-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000507383219 516196320 /nfs/dbraw/zinc/19/63/20/516196320.db2.gz SFWCWRJHYPZKOM-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1)C1CC1 ZINC000495713632 516203959 /nfs/dbraw/zinc/20/39/59/516203959.db2.gz RTLMVZFWZMFRGQ-OALUTQOASA-N 1 3 361.555 2.789 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1)C1CC1 ZINC000495713632 516203965 /nfs/dbraw/zinc/20/39/65/516203965.db2.gz RTLMVZFWZMFRGQ-OALUTQOASA-N 1 3 361.555 2.789 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000501721946 516205769 /nfs/dbraw/zinc/20/57/69/516205769.db2.gz XIIVXAWBQVQPCQ-HDICACEKSA-N 1 3 360.546 2.915 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000501721946 516205778 /nfs/dbraw/zinc/20/57/78/516205778.db2.gz XIIVXAWBQVQPCQ-HDICACEKSA-N 1 3 360.546 2.915 20 0 FFADHO CC1CC[NH+](CCCNC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000465616454 516211801 /nfs/dbraw/zinc/21/18/01/516211801.db2.gz SNQMFNWYTAYOMJ-UHFFFAOYSA-N 1 3 372.557 2.507 20 0 FFADHO CC1CC[NH+](CCCNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000501751912 516214506 /nfs/dbraw/zinc/21/45/06/516214506.db2.gz ALLWRJQABUHNCX-UHFFFAOYSA-N 1 3 372.557 2.856 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000501755361 516216185 /nfs/dbraw/zinc/21/61/85/516216185.db2.gz KVGOUWVIHUGNIL-SBHAEUEKSA-N 1 3 374.573 2.827 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(CC3CCCC3)C2)[C@H](C)C1 ZINC000483840348 516224085 /nfs/dbraw/zinc/22/40/85/516224085.db2.gz ONVOQCXCNRJDMA-GIVPXCGWSA-N 1 3 351.579 2.978 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311132 516234209 /nfs/dbraw/zinc/23/42/09/516234209.db2.gz WDLKAVOCXLZWDY-WBVHZDCISA-N 1 3 353.457 2.600 20 0 FFADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1)Cc1ccccc1 ZINC000457927331 516234233 /nfs/dbraw/zinc/23/42/33/516234233.db2.gz IJWAITPHDBYLEV-UHFFFAOYSA-N 1 3 374.554 2.953 20 0 FFADHO OCC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CCOCC1 ZINC000461084404 516314870 /nfs/dbraw/zinc/31/48/70/516314870.db2.gz MJFHRSRMDUMGOT-CLAROIROSA-N 1 3 358.526 2.664 20 0 FFADHO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)([NH+](C)C)C1 ZINC000522881117 516340299 /nfs/dbraw/zinc/34/02/99/516340299.db2.gz LGIWZRGUCHIWFW-SYYKKAFVSA-N 1 3 372.557 2.920 20 0 FFADHO CCS[C@@H]1CCC[C@@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557635346 516349067 /nfs/dbraw/zinc/34/90/67/516349067.db2.gz YRYAILRAAIZHSL-RBUKOAKNSA-N 1 3 367.603 2.973 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCc1cccs1 ZINC000539910865 516349491 /nfs/dbraw/zinc/34/94/91/516349491.db2.gz XVUYPMUUXRIIGO-QGZVFWFLSA-N 1 3 366.575 2.738 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCc1cccs1 ZINC000539910865 516349501 /nfs/dbraw/zinc/34/95/01/516349501.db2.gz XVUYPMUUXRIIGO-QGZVFWFLSA-N 1 3 366.575 2.738 20 0 FFADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C[NH+](C)C ZINC000561092847 516373955 /nfs/dbraw/zinc/37/39/55/516373955.db2.gz LCPGSUYPGGGDMI-YJBOKZPZSA-N 1 3 371.447 2.755 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+](CC)C(C)C)N1CCc2ccccc2C1 ZINC000523291810 516426209 /nfs/dbraw/zinc/42/62/09/516426209.db2.gz FDIOGMBYMHTKAB-FQEVSTJZSA-N 1 3 360.546 2.853 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+](CC)C(C)C)N1CCc2ccccc2C1 ZINC000523291810 516426216 /nfs/dbraw/zinc/42/62/16/516426216.db2.gz FDIOGMBYMHTKAB-FQEVSTJZSA-N 1 3 360.546 2.853 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000540162098 516458970 /nfs/dbraw/zinc/45/89/70/516458970.db2.gz FUYBGNWYZYZFSO-KPFFTGBYSA-N 1 3 362.514 2.725 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000540162098 516458981 /nfs/dbraw/zinc/45/89/81/516458981.db2.gz FUYBGNWYZYZFSO-KPFFTGBYSA-N 1 3 362.514 2.725 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513077300 516463408 /nfs/dbraw/zinc/46/34/08/516463408.db2.gz QLEUADWYGBSLAQ-BAGYTPMASA-N 1 3 359.558 2.722 20 0 FFADHO O=C1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000540360490 516525952 /nfs/dbraw/zinc/52/59/52/516525952.db2.gz RXXYQEWLSUKXGL-ACRUOGEOSA-N 1 3 353.510 2.607 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000544038481 516554268 /nfs/dbraw/zinc/55/42/68/516554268.db2.gz YSHFJLMSKJSKMB-UHFFFAOYSA-N 1 3 351.457 2.697 20 0 FFADHO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000551165739 516588004 /nfs/dbraw/zinc/58/80/04/516588004.db2.gz XQLWPTNSQDJYAN-RZZCCWGQSA-N 1 3 356.576 2.832 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N2CCN3CCC2CC3)c2ccccc2)CC1 ZINC000551268957 516633343 /nfs/dbraw/zinc/63/33/43/516633343.db2.gz RLXRIIRBUPYLKF-OAQYLSRUSA-N 1 3 370.541 2.949 20 0 FFADHO COCCn1cc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000513495751 516651677 /nfs/dbraw/zinc/65/16/77/516651677.db2.gz UPWLFYIUZWFJND-UYAOXDASSA-N 1 3 356.514 2.920 20 0 FFADHO COCCn1cc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000513495751 516651685 /nfs/dbraw/zinc/65/16/85/516651685.db2.gz UPWLFYIUZWFJND-UYAOXDASSA-N 1 3 356.514 2.920 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@H]1c1ccccc1 ZINC000536233672 516689931 /nfs/dbraw/zinc/68/99/31/516689931.db2.gz OFTBERQSVLGZET-SESVDKBCSA-N 1 3 370.541 2.805 20 0 FFADHO CN1CC[C@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@H]1c1ccccc1 ZINC000536233672 516689942 /nfs/dbraw/zinc/68/99/42/516689942.db2.gz OFTBERQSVLGZET-SESVDKBCSA-N 1 3 370.541 2.805 20 0 FFADHO CN1CC[C@H](NC(=O)NCC[N@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000536234790 516691141 /nfs/dbraw/zinc/69/11/41/516691141.db2.gz VGZXRPDZWFGBDZ-VQTJNVASSA-N 1 3 358.530 2.996 20 0 FFADHO CN1CC[C@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000536234790 516691150 /nfs/dbraw/zinc/69/11/50/516691150.db2.gz VGZXRPDZWFGBDZ-VQTJNVASSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000513714185 516728474 /nfs/dbraw/zinc/72/84/74/516728474.db2.gz ZWIUVDGQBQAFDR-NJDAHSKKSA-N 1 3 355.526 2.793 20 0 FFADHO O=C(NCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000513714185 516728480 /nfs/dbraw/zinc/72/84/80/516728480.db2.gz ZWIUVDGQBQAFDR-NJDAHSKKSA-N 1 3 355.526 2.793 20 0 FFADHO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000513714185 516728490 /nfs/dbraw/zinc/72/84/90/516728490.db2.gz ZWIUVDGQBQAFDR-NJDAHSKKSA-N 1 3 355.526 2.793 20 0 FFADHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000524467588 516729480 /nfs/dbraw/zinc/72/94/80/516729480.db2.gz CUGLHZKMUHVKQD-SFHVURJKSA-N 1 3 356.514 2.529 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000524490270 516736212 /nfs/dbraw/zinc/73/62/12/516736212.db2.gz DOLGYUAXYPOSGJ-IBGZPJMESA-N 1 3 356.514 2.708 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCc2nc(C)no2)CC1 ZINC000532041055 516771151 /nfs/dbraw/zinc/77/11/51/516771151.db2.gz WHTNRBUXPBMWBL-UHFFFAOYSA-N 1 3 357.502 2.632 20 0 FFADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc(Cl)c1OC ZINC000532120148 516810413 /nfs/dbraw/zinc/81/04/13/516810413.db2.gz UFNHSLJPKZAIAE-UHFFFAOYSA-N 1 3 356.894 2.682 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000518937024 516825597 /nfs/dbraw/zinc/82/55/97/516825597.db2.gz WIIYEPWMTKXNAD-INIZCTEOSA-N 1 3 373.526 2.555 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000514022743 516834775 /nfs/dbraw/zinc/83/47/75/516834775.db2.gz PVTXIZPWEQFRQH-ICSRJNTNSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N1CCN(c2ccccc2)CC1 ZINC000514089049 516857162 /nfs/dbraw/zinc/85/71/62/516857162.db2.gz NQDMFUPAEVEAOB-FVTFTPSCSA-N 1 3 356.558 2.660 20 0 FFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)N1CCN(c2ccccc2)CC1 ZINC000514089049 516857169 /nfs/dbraw/zinc/85/71/69/516857169.db2.gz NQDMFUPAEVEAOB-FVTFTPSCSA-N 1 3 356.558 2.660 20 0 FFADHO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN(C2CCCCC2)CC1 ZINC000532232212 516865743 /nfs/dbraw/zinc/86/57/43/516865743.db2.gz SGOXZHMRXMRKTD-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN(C2CCCCC2)CC1 ZINC000532232212 516865750 /nfs/dbraw/zinc/86/57/50/516865750.db2.gz SGOXZHMRXMRKTD-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000514189515 516895062 /nfs/dbraw/zinc/89/50/62/516895062.db2.gz ILOVSJZUWBTLCD-ICSRJNTNSA-N 1 3 360.546 2.579 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000555377752 516906695 /nfs/dbraw/zinc/90/66/95/516906695.db2.gz UWWXGXYOZXREEG-LJQANCHMSA-N 1 3 352.494 2.552 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000514239746 516920297 /nfs/dbraw/zinc/92/02/97/516920297.db2.gz RDAODUXZWLTAAV-RTBURBONSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000514239746 516920307 /nfs/dbraw/zinc/92/03/07/516920307.db2.gz RDAODUXZWLTAAV-RTBURBONSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC(C)(C)C[NH+](C)C ZINC000541223461 516935212 /nfs/dbraw/zinc/93/52/12/516935212.db2.gz IPQMVRQNLALZRX-OAHLLOKOSA-N 1 3 374.529 2.930 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000525290723 516995382 /nfs/dbraw/zinc/99/53/82/516995382.db2.gz GBFFVGUAFZJGMD-HQRMLTQVSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000525290723 516995389 /nfs/dbraw/zinc/99/53/89/516995389.db2.gz GBFFVGUAFZJGMD-HQRMLTQVSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000537011602 517002366 /nfs/dbraw/zinc/00/23/66/517002366.db2.gz DLHOWHXCRYBJGQ-IBGZPJMESA-N 1 3 370.541 2.857 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000525399352 517030610 /nfs/dbraw/zinc/03/06/10/517030610.db2.gz KCRIMALRIVWGRZ-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000525399352 517030620 /nfs/dbraw/zinc/03/06/20/517030620.db2.gz KCRIMALRIVWGRZ-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N2CCCC2)cc1 ZINC000529297837 517060213 /nfs/dbraw/zinc/06/02/13/517060213.db2.gz DXTZTYJXTPCRPS-RBUKOAKNSA-N 1 3 356.514 2.716 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2cccc(OC)c21 ZINC000555684294 517064681 /nfs/dbraw/zinc/06/46/81/517064681.db2.gz XSUNDRLPZPXCRS-OALUTQOASA-N 1 3 373.541 2.600 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2cccc(OC)c21 ZINC000555684294 517064689 /nfs/dbraw/zinc/06/46/89/517064689.db2.gz XSUNDRLPZPXCRS-OALUTQOASA-N 1 3 373.541 2.600 20 0 FFADHO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000545190685 517095585 /nfs/dbraw/zinc/09/55/85/517095585.db2.gz CLYSUHPOKJIEGF-HXUWFJFHSA-N 1 3 360.546 2.874 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(CSC)s1 ZINC000552243215 517159384 /nfs/dbraw/zinc/15/93/84/517159384.db2.gz ROCVDPFIRAZKGR-OAHLLOKOSA-N 1 3 356.605 2.854 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769402 517207194 /nfs/dbraw/zinc/20/71/94/517207194.db2.gz HVKFSSKRFLQXAQ-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769404 517207379 /nfs/dbraw/zinc/20/73/79/517207379.db2.gz HVKFSSKRFLQXAQ-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000541822073 517231901 /nfs/dbraw/zinc/23/19/01/517231901.db2.gz CAUISFVMJKZIGQ-XLIONFOSSA-N 1 3 360.546 2.969 20 0 FFADHO Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)nc1 ZINC000515165803 517235606 /nfs/dbraw/zinc/23/56/06/517235606.db2.gz IGWPSNYFKGKMIY-HXUWFJFHSA-N 1 3 366.509 2.873 20 0 FFADHO Cc1ccc(NC(=O)CCNC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000515165803 517235616 /nfs/dbraw/zinc/23/56/16/517235616.db2.gz IGWPSNYFKGKMIY-HXUWFJFHSA-N 1 3 366.509 2.873 20 0 FFADHO Cc1ccc(NC(=O)CCNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc1 ZINC000515165803 517235625 /nfs/dbraw/zinc/23/56/25/517235625.db2.gz IGWPSNYFKGKMIY-HXUWFJFHSA-N 1 3 366.509 2.873 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000556045179 517242262 /nfs/dbraw/zinc/24/22/62/517242262.db2.gz BZYCDMNXIMOUCE-BHDDXSALSA-N 1 3 369.553 2.742 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000556045179 517242268 /nfs/dbraw/zinc/24/22/68/517242268.db2.gz BZYCDMNXIMOUCE-BHDDXSALSA-N 1 3 369.553 2.742 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000556045179 517242274 /nfs/dbraw/zinc/24/22/74/517242274.db2.gz BZYCDMNXIMOUCE-BHDDXSALSA-N 1 3 369.553 2.742 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc4cc[nH]c43)CC2)CC1 ZINC000525970398 517264433 /nfs/dbraw/zinc/26/44/33/517264433.db2.gz NIAGVSDHRUCYJM-UHFFFAOYSA-N 1 3 369.513 2.526 20 0 FFADHO CN1CC[C@@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515235240 517266345 /nfs/dbraw/zinc/26/63/45/517266345.db2.gz XMIIECHJISJISL-GMBSWORKSA-N 1 3 369.912 2.517 20 0 FFADHO CN1CC[C@@H](CNC[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515235240 517266336 /nfs/dbraw/zinc/26/63/36/517266336.db2.gz XMIIECHJISJISL-GMBSWORKSA-N 1 3 369.912 2.517 20 0 FFADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000520067338 517268345 /nfs/dbraw/zinc/26/83/45/517268345.db2.gz IETUSJSWPCXEGF-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000515483313 517373135 /nfs/dbraw/zinc/37/31/35/517373135.db2.gz KPWKFHMEYMKHBD-WNRNVDISSA-N 1 3 351.560 2.863 20 0 FFADHO C[N@@H+]1CC[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000559743870 517406756 /nfs/dbraw/zinc/40/67/56/517406756.db2.gz TZYIQLNWDZTBIY-WOJBJXKFSA-N 1 3 373.522 2.983 20 0 FFADHO C[N@H+]1CC[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000559743870 517406762 /nfs/dbraw/zinc/40/67/62/517406762.db2.gz TZYIQLNWDZTBIY-WOJBJXKFSA-N 1 3 373.522 2.983 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000520547952 517431911 /nfs/dbraw/zinc/43/19/11/517431911.db2.gz YQLBVSFONGHOBZ-IEBWSBKVSA-N 1 3 358.530 2.586 20 0 FFADHO OC[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)O1 ZINC000559870357 517465665 /nfs/dbraw/zinc/46/56/65/517465665.db2.gz GZNCREXFRPYZMT-QMCAAQAGSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@H]1CCOC1 ZINC000559891089 517473663 /nfs/dbraw/zinc/47/36/63/517473663.db2.gz NGPMXPSMJKKDTP-JBACZVJFSA-N 1 3 358.526 2.930 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2ccccc2c1 ZINC000515809135 517481764 /nfs/dbraw/zinc/48/17/64/517481764.db2.gz HYJAZHMKBBHXTR-HSALFYBXSA-N 1 3 352.482 2.766 20 0 FFADHO NC[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2ccccc2c1 ZINC000515809135 517481771 /nfs/dbraw/zinc/48/17/71/517481771.db2.gz HYJAZHMKBBHXTR-HSALFYBXSA-N 1 3 352.482 2.766 20 0 FFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000520754414 517499911 /nfs/dbraw/zinc/49/99/11/517499911.db2.gz UHSZIHOXSASEQO-OALUTQOASA-N 1 3 372.557 2.997 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000553066813 517506477 /nfs/dbraw/zinc/50/64/77/517506477.db2.gz RHAFLOZMSYGBID-HXUWFJFHSA-N 1 3 358.530 2.628 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000520909540 517550569 /nfs/dbraw/zinc/55/05/69/517550569.db2.gz SLDQHSAHEUROLL-LJQANCHMSA-N 1 3 350.551 2.911 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000520909540 517550575 /nfs/dbraw/zinc/55/05/75/517550575.db2.gz SLDQHSAHEUROLL-LJQANCHMSA-N 1 3 350.551 2.911 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546120615 517555523 /nfs/dbraw/zinc/55/55/23/517555523.db2.gz IVMFXZXQSXWNJL-LJQANCHMSA-N 1 3 360.546 2.581 20 0 FFADHO COCCN1CC[C@H](Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1 ZINC000542464595 517580217 /nfs/dbraw/zinc/58/02/17/517580217.db2.gz KQKORTHUAVUHOS-FQEVSTJZSA-N 1 3 374.529 2.634 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000521014260 517582120 /nfs/dbraw/zinc/58/21/20/517582120.db2.gz PDLVJZFZVIZGQB-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CN(C)CC[NH+]1CCC(CN[C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542475518 517585241 /nfs/dbraw/zinc/58/52/41/517585241.db2.gz YJWYHRIVXCWAKL-NRFANRHFSA-N 1 3 371.504 2.568 20 0 FFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C12CCCC2 ZINC000538393036 517600711 /nfs/dbraw/zinc/60/07/11/517600711.db2.gz GZRDWOHDRKUUSD-RTWAWAEBSA-N 1 3 372.557 2.921 20 0 FFADHO COc1ccc(C[C@@H](C)CNC[C@@H](O)C[NH+]2CCC(C)CC2)cc1F ZINC000546336262 517644992 /nfs/dbraw/zinc/64/49/92/517644992.db2.gz PFDHHQFHJZMRKG-SJLPKXTDSA-N 1 3 352.494 2.695 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000553335177 517650782 /nfs/dbraw/zinc/65/07/82/517650782.db2.gz RWYPGORKTNMHGB-NRFANRHFSA-N 1 3 372.557 2.579 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000553335177 517650792 /nfs/dbraw/zinc/65/07/92/517650792.db2.gz RWYPGORKTNMHGB-NRFANRHFSA-N 1 3 372.557 2.579 20 0 FFADHO FC(F)COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249648 517656758 /nfs/dbraw/zinc/65/67/58/517656758.db2.gz XHJUBHXFOMIJDH-GOSISDBHSA-N 1 3 354.441 2.921 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000542714865 517701518 /nfs/dbraw/zinc/70/15/18/517701518.db2.gz ACLYZPPRQODDFI-KZNAEPCWSA-N 1 3 352.567 2.726 20 0 FFADHO CCOc1ccccc1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000521416234 517722284 /nfs/dbraw/zinc/72/22/84/517722284.db2.gz KUPMPTZKLQHUBX-UHFFFAOYSA-N 1 3 373.541 2.898 20 0 FFADHO Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563215726 517746512 /nfs/dbraw/zinc/74/65/12/517746512.db2.gz YVXUUYGRVHKIMN-RBUKOAKNSA-N 1 3 370.541 2.855 20 0 FFADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COCc1ccccc1 ZINC000516645174 517787787 /nfs/dbraw/zinc/78/77/87/517787787.db2.gz MNFIRDUYMUVZEX-JOCHJYFZSA-N 1 3 354.494 2.950 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000542891438 517800994 /nfs/dbraw/zinc/80/09/94/517800994.db2.gz FIAZIUHKZIKADK-AQNXPRMDSA-N 1 3 367.578 2.702 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000542891438 517801001 /nfs/dbraw/zinc/80/10/01/517801001.db2.gz FIAZIUHKZIKADK-AQNXPRMDSA-N 1 3 367.578 2.702 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000550009169 517822049 /nfs/dbraw/zinc/82/20/49/517822049.db2.gz TWEDNTCODNVZHV-AWEZNQCLSA-N 1 3 360.424 2.522 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000550009169 517822056 /nfs/dbraw/zinc/82/20/56/517822056.db2.gz TWEDNTCODNVZHV-AWEZNQCLSA-N 1 3 360.424 2.522 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000550009170 517822711 /nfs/dbraw/zinc/82/27/11/517822711.db2.gz TWEDNTCODNVZHV-CQSZACIVSA-N 1 3 360.424 2.522 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000550009170 517822720 /nfs/dbraw/zinc/82/27/20/517822720.db2.gz TWEDNTCODNVZHV-CQSZACIVSA-N 1 3 360.424 2.522 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000521695664 517830009 /nfs/dbraw/zinc/83/00/09/517830009.db2.gz BWKJUYZSRQZKNZ-GUDVDZBRSA-N 1 3 350.551 2.624 20 0 FFADHO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000560488871 517842240 /nfs/dbraw/zinc/84/22/40/517842240.db2.gz DZRVKQQQWQGHIT-UHFFFAOYSA-N 1 3 364.493 2.758 20 0 FFADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000521842680 517868561 /nfs/dbraw/zinc/86/85/61/517868561.db2.gz IGHGIHOBMUZSKB-BHIYHBOVSA-N 1 3 358.530 2.584 20 0 FFADHO c1cn(CCC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nn1 ZINC000560550564 517890478 /nfs/dbraw/zinc/89/04/78/517890478.db2.gz UDMQVJYMSPMCOC-PCCBWWKXSA-N 1 3 353.514 2.949 20 0 FFADHO CCc1cnccc1[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000539143831 517932786 /nfs/dbraw/zinc/93/27/86/517932786.db2.gz UTUJOEYUPRLXPO-INIZCTEOSA-N 1 3 373.545 2.563 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NC2CC[NH2+]CC2)CC1 ZINC000563495300 517937296 /nfs/dbraw/zinc/93/72/96/517937296.db2.gz FNPXPAWZQDHITL-UHFFFAOYSA-N 1 3 366.893 2.687 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)N(C)Cc1ccccc1 ZINC000522075493 517977921 /nfs/dbraw/zinc/97/79/21/517977921.db2.gz LHANAUNHNXTNID-RTBURBONSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522199080 518028134 /nfs/dbraw/zinc/02/81/34/518028134.db2.gz SPDSSNWYXLHPFF-TZIWHRDSSA-N 1 3 372.557 2.922 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522199080 518028141 /nfs/dbraw/zinc/02/81/41/518028141.db2.gz SPDSSNWYXLHPFF-TZIWHRDSSA-N 1 3 372.557 2.922 20 0 FFADHO C[C@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C[C@H]1C[NH3+] ZINC000563693379 518073634 /nfs/dbraw/zinc/07/36/34/518073634.db2.gz WNYRAFQCCFGGGR-FXAWDEMLSA-N 1 3 358.530 2.799 20 0 FFADHO COC(=O)CCCN1CCC([NH2+]C[C@H](C(C)C)N2CCCCCC2)CC1 ZINC000547325834 518080025 /nfs/dbraw/zinc/08/00/25/518080025.db2.gz DLYCEESUIGJLPO-HXUWFJFHSA-N 1 3 367.578 2.894 20 0 FFADHO N[C@H](CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000517233991 518081236 /nfs/dbraw/zinc/08/12/36/518081236.db2.gz MWHPBQBSMKWCCE-YADHBBJMSA-N 1 3 365.521 2.627 20 0 FFADHO N[C@H](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000517233991 518081249 /nfs/dbraw/zinc/08/12/49/518081249.db2.gz MWHPBQBSMKWCCE-YADHBBJMSA-N 1 3 365.521 2.627 20 0 FFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000543443813 518095098 /nfs/dbraw/zinc/09/50/98/518095098.db2.gz NSKTWDYNFJOKIZ-IBGZPJMESA-N 1 3 374.573 2.872 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000517269730 518099381 /nfs/dbraw/zinc/09/93/81/518099381.db2.gz XVPQAPPCECEKDZ-XLIONFOSSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H](C[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)CN1CCCCC1 ZINC000547367779 518106476 /nfs/dbraw/zinc/10/64/76/518106476.db2.gz KLLCHVOJCNHKDD-SJORKVTESA-N 1 3 357.498 2.773 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000563798978 518130163 /nfs/dbraw/zinc/13/01/63/518130163.db2.gz FBFDZKLMNUBTDA-TUNNFDKTSA-N 1 3 370.541 2.728 20 0 FFADHO CC1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000563810275 518135307 /nfs/dbraw/zinc/13/53/07/518135307.db2.gz LLRGAUAGJBKDKX-YADHBBJMSA-N 1 3 371.569 2.866 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000531119066 518144420 /nfs/dbraw/zinc/14/44/20/518144420.db2.gz YZROMIDDGUBHAQ-NHCUHLMSSA-N 1 3 353.510 2.895 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)Cc1ccccc1 ZINC000535257878 518170803 /nfs/dbraw/zinc/17/08/03/518170803.db2.gz LSFQYWOJNYWQNX-FQEVSTJZSA-N 1 3 374.573 2.923 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000584230045 518238610 /nfs/dbraw/zinc/23/86/10/518238610.db2.gz HRRGUMDBOIWSDD-RZUBCFFCSA-N 1 3 355.526 2.889 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCCC[NH3+] ZINC000566912406 518261887 /nfs/dbraw/zinc/26/18/87/518261887.db2.gz AICKBAROPVCKCI-SFHVURJKSA-N 1 3 355.486 2.706 20 0 FFADHO OC[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]1c1ccccc1 ZINC000572593307 518265372 /nfs/dbraw/zinc/26/53/72/518265372.db2.gz FJVNRWPBXKRWED-KKSHJYNMSA-N 1 3 364.489 2.998 20 0 FFADHO N[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000575759490 518268779 /nfs/dbraw/zinc/26/87/79/518268779.db2.gz RPERZSOFFCAUDG-ZGXWSNOMSA-N 1 3 369.896 2.596 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000581423406 518277067 /nfs/dbraw/zinc/27/70/67/518277067.db2.gz KYYPIBGDKLVRJW-CWRNSKLLSA-N 1 3 360.527 2.607 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@]3(F)c3ccccc3)CC2)CC1 ZINC000564099549 518306197 /nfs/dbraw/zinc/30/61/97/518306197.db2.gz LHWSMQRUBKMNDL-UNMCSNQZSA-N 1 3 373.516 2.936 20 0 FFADHO CC(C)(CNC(=O)c1ccccc1CC[NH3+])N1CCc2ccccc2C1 ZINC000581496123 518314991 /nfs/dbraw/zinc/31/49/91/518314991.db2.gz OKULJIOVACIDJN-UHFFFAOYSA-N 1 3 351.494 2.755 20 0 FFADHO [NH3+]C[C@H]1CN(CCOc2ccc(Br)cc2)CC12CCOCC2 ZINC000575869282 518319515 /nfs/dbraw/zinc/31/95/15/518319515.db2.gz FEVXWLSVWHMJKL-AWEZNQCLSA-N 1 3 369.303 2.515 20 0 FFADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](CN)c3ccc(F)cc3)C2)n1 ZINC000584412677 518330611 /nfs/dbraw/zinc/33/06/11/518330611.db2.gz NYFYHWCUXFZOIG-QZTJIDSGSA-N 1 3 370.472 2.922 20 0 FFADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](CN)c3ccc(F)cc3)C2)n1 ZINC000584412677 518330617 /nfs/dbraw/zinc/33/06/17/518330617.db2.gz NYFYHWCUXFZOIG-QZTJIDSGSA-N 1 3 370.472 2.922 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000572737795 518339103 /nfs/dbraw/zinc/33/91/03/518339103.db2.gz AUIMEXZZONYNPV-JRGCBEDISA-N 1 3 366.509 2.643 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000569925749 518358407 /nfs/dbraw/zinc/35/84/07/518358407.db2.gz UERIBPLULOHUNY-OXQOHEQNSA-N 1 3 352.482 2.608 20 0 FFADHO COC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000564307681 518391290 /nfs/dbraw/zinc/39/12/90/518391290.db2.gz PWZNFPNSTJNUFJ-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO COC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000564307681 518391296 /nfs/dbraw/zinc/39/12/96/518391296.db2.gz PWZNFPNSTJNUFJ-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)c(C)n3)CC2)CC1 ZINC000572855183 518393716 /nfs/dbraw/zinc/39/37/16/518393716.db2.gz YLVMGJYDLAVANP-UHFFFAOYSA-N 1 3 358.530 2.511 20 0 FFADHO O=C(CNCCCc1c(F)cccc1Cl)NCC[NH+]1CCCCCC1 ZINC000578895756 518425965 /nfs/dbraw/zinc/42/59/65/518425965.db2.gz WIHWZBVRNLJZMY-UHFFFAOYSA-N 1 3 369.912 2.994 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000564422152 518445659 /nfs/dbraw/zinc/44/56/59/518445659.db2.gz SATLSXWUXUPZLQ-YJBOKZPZSA-N 1 3 364.559 2.652 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000564422152 518445666 /nfs/dbraw/zinc/44/56/66/518445666.db2.gz SATLSXWUXUPZLQ-YJBOKZPZSA-N 1 3 364.559 2.652 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC3)cc1 ZINC000576219057 518487565 /nfs/dbraw/zinc/48/75/65/518487565.db2.gz XFVLOCADSQHVRN-YDZRNGNQSA-N 1 3 369.488 2.909 20 0 FFADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCOCC1 ZINC000573136005 518523865 /nfs/dbraw/zinc/52/38/65/518523865.db2.gz MSBWLARNCCVVNN-FQEVSTJZSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000576397055 518572579 /nfs/dbraw/zinc/57/25/79/518572579.db2.gz CCQFTEDFTSERIG-FXAWDEMLSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000576397055 518572584 /nfs/dbraw/zinc/57/25/84/518572584.db2.gz CCQFTEDFTSERIG-FXAWDEMLSA-N 1 3 358.530 2.909 20 0 FFADHO COCC[NH2+]C1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000582129242 518602554 /nfs/dbraw/zinc/60/25/54/518602554.db2.gz OZALIZMICXOOBB-UHFFFAOYSA-N 1 3 373.541 2.516 20 0 FFADHO NCc1cn([C@H]2CCCN(Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000579329237 518628631 /nfs/dbraw/zinc/62/86/31/518628631.db2.gz ZNQXDQODPILJFV-SFHVURJKSA-N 1 3 355.486 2.895 20 0 FFADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000579329237 518628632 /nfs/dbraw/zinc/62/86/32/518628632.db2.gz ZNQXDQODPILJFV-SFHVURJKSA-N 1 3 355.486 2.895 20 0 FFADHO CN1CCC(Oc2ccc(CNC(=O)NCC3([NH3+])CCCCC3)cc2)CC1 ZINC000576611507 518677729 /nfs/dbraw/zinc/67/77/29/518677729.db2.gz DZNSLOHAUBBKDE-UHFFFAOYSA-N 1 3 374.529 2.620 20 0 FFADHO CC[NH+](CC)CC1CCN(CCc2c(C)nc3ccccn3c2=O)CC1 ZINC000582294026 518685165 /nfs/dbraw/zinc/68/51/65/518685165.db2.gz JULPAHQZTBBPRK-UHFFFAOYSA-N 1 3 356.514 2.599 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000579452863 518687767 /nfs/dbraw/zinc/68/77/67/518687767.db2.gz IEQHWOJIUVNZER-NLWGTHIKSA-N 1 3 373.545 2.595 20 0 FFADHO [NH3+]CCC1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000582365473 518719552 /nfs/dbraw/zinc/71/95/52/518719552.db2.gz WRBQKWQMHDCJQT-UHFFFAOYSA-N 1 3 369.391 2.581 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)COC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000570680079 518729428 /nfs/dbraw/zinc/72/94/28/518729428.db2.gz IZEMIBFBTDZPEO-MAKTXDPSSA-N 1 3 373.541 2.784 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000564985675 518729935 /nfs/dbraw/zinc/72/99/35/518729935.db2.gz ITVXKNCXUHVHFY-PMACEKPBSA-N 1 3 374.912 2.866 20 0 FFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccc(F)c(Cl)c1 ZINC000564989580 518732548 /nfs/dbraw/zinc/73/25/48/518732548.db2.gz RSYMUIDLKBJHMA-PMUMKWKESA-N 1 3 365.880 2.906 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)NC1CC[NH+](C2CCCC2)CC1 ZINC000576729906 518735434 /nfs/dbraw/zinc/73/54/34/518735434.db2.gz IYCIGLOVQQTOFX-HXUWFJFHSA-N 1 3 356.514 2.580 20 0 FFADHO CN(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000570708839 518741589 /nfs/dbraw/zinc/74/15/89/518741589.db2.gz ZIIAGLCQNUSGPT-NCXUSEDFSA-N 1 3 351.922 2.689 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000573605093 518747357 /nfs/dbraw/zinc/74/73/57/518747357.db2.gz KLGZHVUXIGJDIR-SFHVURJKSA-N 1 3 366.509 2.809 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1c1cccc(F)c1 ZINC000573682556 518785134 /nfs/dbraw/zinc/78/51/34/518785134.db2.gz GMRRXNDSCAVAJS-LEWJYISDSA-N 1 3 367.468 2.988 20 0 FFADHO O=C(Nc1ccc(OCCN2CCCCC2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000573694000 518791235 /nfs/dbraw/zinc/79/12/35/518791235.db2.gz FURBAGHBKZGTRE-NRFANRHFSA-N 1 3 372.513 2.769 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000570843730 518807840 /nfs/dbraw/zinc/80/78/40/518807840.db2.gz QHQLZLDNGQFVGD-RCCFBDPRSA-N 1 3 372.513 2.662 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000576885777 518811693 /nfs/dbraw/zinc/81/16/93/518811693.db2.gz YNCGJHCQSGHBEB-VVWQDTPRSA-N 1 3 363.933 2.880 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCc3ccccc3)CC2)CC1 ZINC000576956027 518846013 /nfs/dbraw/zinc/84/60/13/518846013.db2.gz VCPGNSXYWIOZLG-UHFFFAOYSA-N 1 3 373.541 2.516 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000573942323 518912589 /nfs/dbraw/zinc/91/25/89/518912589.db2.gz WDTUQSWBHVDMLI-AZUAARDMSA-N 1 3 372.557 2.976 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000568232933 518942697 /nfs/dbraw/zinc/94/26/97/518942697.db2.gz SCODYGOVOVUROL-NEWSRXKRSA-N 1 3 358.530 2.727 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000565452268 518961615 /nfs/dbraw/zinc/96/16/15/518961615.db2.gz ZBRGSYVKTCIQAY-HXUWFJFHSA-N 1 3 355.530 2.925 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1ccccc1 ZINC000565452268 518961621 /nfs/dbraw/zinc/96/16/21/518961621.db2.gz ZBRGSYVKTCIQAY-HXUWFJFHSA-N 1 3 355.530 2.925 20 0 FFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000580023808 518965767 /nfs/dbraw/zinc/96/57/67/518965767.db2.gz QCPZFBWALDPCIC-CYBMUJFWSA-N 1 3 355.324 2.521 20 0 FFADHO CC[NH+]1CCC(CNCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000565553603 519014781 /nfs/dbraw/zinc/01/47/81/519014781.db2.gz LCTYTHBEKDRJDG-UHFFFAOYSA-N 1 3 351.922 2.998 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cccc(NS(C)(=O)=O)c1 ZINC000589641145 519051672 /nfs/dbraw/zinc/05/16/72/519051672.db2.gz GNAXUCJIZJZPRI-MRXNPFEDSA-N 1 3 353.532 2.802 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cccc(NS(C)(=O)=O)c1 ZINC000589641145 519051676 /nfs/dbraw/zinc/05/16/76/519051676.db2.gz GNAXUCJIZJZPRI-MRXNPFEDSA-N 1 3 353.532 2.802 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000565647809 519063006 /nfs/dbraw/zinc/06/30/06/519063006.db2.gz XJQHFHNWACNRBH-RLLQIKCJSA-N 1 3 358.530 2.813 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000577484129 519104357 /nfs/dbraw/zinc/10/43/57/519104357.db2.gz FVQUDEISGFDTIZ-QHCPKHFHSA-N 1 3 367.537 2.517 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C[NH2+]CC1CC1 ZINC000577510688 519118252 /nfs/dbraw/zinc/11/82/52/519118252.db2.gz MYQUMQBKMJUPLC-IBGZPJMESA-N 1 3 367.497 2.577 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000577512836 519119889 /nfs/dbraw/zinc/11/98/89/519119889.db2.gz YUITYLYVCFDZTM-CTNGQTDRSA-N 1 3 366.509 2.672 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000571506487 519128802 /nfs/dbraw/zinc/12/88/02/519128802.db2.gz BSOGDJUFMPJQTR-LISAXSMJSA-N 1 3 364.559 2.900 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000577589654 519154644 /nfs/dbraw/zinc/15/46/44/519154644.db2.gz CFJYQRDVFPMEGC-FUHWJXTLSA-N 1 3 373.545 2.586 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000568730529 519186530 /nfs/dbraw/zinc/18/65/30/519186530.db2.gz BMZFUMGJEFZGFN-MLYOOKFZSA-N 1 3 358.530 2.714 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000577747605 519236181 /nfs/dbraw/zinc/23/61/81/519236181.db2.gz PBLGXBVOESUTHS-XQBPLPMBSA-N 1 3 373.541 2.629 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)CC2)CC1 ZINC000574769399 519323998 /nfs/dbraw/zinc/32/39/98/519323998.db2.gz XMQGGFHAQPPKOH-HXUWFJFHSA-N 1 3 373.545 2.660 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000571890699 519332863 /nfs/dbraw/zinc/33/28/63/519332863.db2.gz ZNVJJMPMQRURGJ-FPOVZHCZSA-N 1 3 369.513 2.602 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583613598 519341591 /nfs/dbraw/zinc/34/15/91/519341591.db2.gz WJGQFLQFSIXEFR-PZJWPPBQSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000583629686 519349745 /nfs/dbraw/zinc/34/97/45/519349745.db2.gz WQAPKLVBZQSWMP-UTKZUKDTSA-N 1 3 366.509 2.775 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@@H+](C)Cc1ccccc1 ZINC000569084854 519367553 /nfs/dbraw/zinc/36/75/53/519367553.db2.gz DUORCIMYOQBIFF-MRXNPFEDSA-N 1 3 368.481 2.811 20 0 FFADHO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[C@H](c1ccccc1)N(C)C ZINC000574874791 519379031 /nfs/dbraw/zinc/37/90/31/519379031.db2.gz PEVKSSJVBHDWNK-ORYQWCPZSA-N 1 3 366.509 2.946 20 0 FFADHO C[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN(C2CCC2)C1 ZINC000572133610 519462376 /nfs/dbraw/zinc/46/23/76/519462376.db2.gz HHHVSBPZBPWDMC-APWZRJJASA-N 1 3 365.587 2.537 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000578237704 519492564 /nfs/dbraw/zinc/49/25/64/519492564.db2.gz ZDOZARVAJQMAKJ-YADHBBJMSA-N 1 3 368.525 2.876 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cn(C)nc3C(C)C)CC2)CC1 ZINC000575137120 519520536 /nfs/dbraw/zinc/52/05/36/519520536.db2.gz RBOZLWZWIGCNQB-UHFFFAOYSA-N 1 3 361.534 2.678 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000569458010 519561707 /nfs/dbraw/zinc/56/17/07/519561707.db2.gz ZODXDVIAZAMDGT-XNFNUYLZSA-N 1 3 358.530 2.621 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000569458010 519561712 /nfs/dbraw/zinc/56/17/12/519561712.db2.gz ZODXDVIAZAMDGT-XNFNUYLZSA-N 1 3 358.530 2.621 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000591542581 519945195 /nfs/dbraw/zinc/94/51/95/519945195.db2.gz CVXLSKXMVXRTEN-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000591542581 519945203 /nfs/dbraw/zinc/94/52/03/519945203.db2.gz CVXLSKXMVXRTEN-WOJBJXKFSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594493753 520002710 /nfs/dbraw/zinc/00/27/10/520002710.db2.gz KABNGZBBCQARGE-OAQYLSRUSA-N 1 3 373.541 2.858 20 0 FFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594736104 520123471 /nfs/dbraw/zinc/12/34/71/520123471.db2.gz PRAIUTDAXTXRKO-LPHOPBHVSA-N 1 3 360.498 2.839 20 0 FFADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000594914450 520215958 /nfs/dbraw/zinc/21/59/58/520215958.db2.gz INAWJDUJVFUOLC-HMXCVIKNSA-N 1 3 373.541 2.684 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCCC1 ZINC000594958272 520230174 /nfs/dbraw/zinc/23/01/74/520230174.db2.gz RBVDUBYCDKHKJF-MOPGFXCFSA-N 1 3 350.551 2.671 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000612963025 520241788 /nfs/dbraw/zinc/24/17/88/520241788.db2.gz LJZPNHLBWZQOMT-HOTGVXAUSA-N 1 3 350.532 2.572 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612988142 520257682 /nfs/dbraw/zinc/25/76/82/520257682.db2.gz OTULCZIXLNGQTJ-MOPGFXCFSA-N 1 3 374.529 2.518 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cccc(OCCN(C)C)c1 ZINC000595070651 520280189 /nfs/dbraw/zinc/28/01/89/520280189.db2.gz NWHNDQVCMPKHRB-YVMJFWTCSA-N 1 3 352.544 2.967 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000592492997 520416960 /nfs/dbraw/zinc/41/69/60/520416960.db2.gz LFYJAXKOWHCSMX-ROUUACIJSA-N 1 3 372.513 2.663 20 0 FFADHO CC(C)(C)OC(=O)C1CCC(O)(CNCCC[NH+]2CCCCC2)CC1 ZINC000600716099 520416999 /nfs/dbraw/zinc/41/69/99/520416999.db2.gz WKAHUBTXUHSNIS-UHFFFAOYSA-N 1 3 354.535 2.715 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000604115779 520455507 /nfs/dbraw/zinc/45/55/07/520455507.db2.gz ASWWXZFITXYLMR-VQTJNVASSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc21 ZINC000604321976 520518731 /nfs/dbraw/zinc/51/87/31/520518731.db2.gz DUNIHGMVMIIZDV-UXHICEINSA-N 1 3 357.542 2.981 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCc2ccccc21 ZINC000604321976 520518735 /nfs/dbraw/zinc/51/87/35/520518735.db2.gz DUNIHGMVMIIZDV-UXHICEINSA-N 1 3 357.542 2.981 20 0 FFADHO COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2 ZINC000617502599 520537415 /nfs/dbraw/zinc/53/74/15/520537415.db2.gz VPSZUZDOOMENCM-QFBILLFUSA-N 1 3 361.530 2.503 20 0 FFADHO COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2 ZINC000617502599 520537419 /nfs/dbraw/zinc/53/74/19/520537419.db2.gz VPSZUZDOOMENCM-QFBILLFUSA-N 1 3 361.530 2.503 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)ccc1Br ZINC000617504354 520538830 /nfs/dbraw/zinc/53/88/30/520538830.db2.gz RCPWVVLVVNAICB-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)ccc1Br ZINC000617504354 520538839 /nfs/dbraw/zinc/53/88/39/520538839.db2.gz RCPWVVLVVNAICB-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccccc2c1Cl ZINC000617505188 520540534 /nfs/dbraw/zinc/54/05/34/520540534.db2.gz XMXVOZOLHNWRIZ-ZDUSSCGKSA-N 1 3 350.894 2.823 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccccc2c1Cl ZINC000617505188 520540543 /nfs/dbraw/zinc/54/05/43/520540543.db2.gz XMXVOZOLHNWRIZ-ZDUSSCGKSA-N 1 3 350.894 2.823 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000617506197 520543880 /nfs/dbraw/zinc/54/38/80/520543880.db2.gz FHUMWJMLXAAVGY-ZDUSSCGKSA-N 1 3 361.408 2.587 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000617506197 520543891 /nfs/dbraw/zinc/54/38/91/520543891.db2.gz FHUMWJMLXAAVGY-ZDUSSCGKSA-N 1 3 361.408 2.587 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC000593097265 520743576 /nfs/dbraw/zinc/74/35/76/520743576.db2.gz XDPCMACNVSOQIZ-LJQANCHMSA-N 1 3 367.578 2.989 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC000593097265 520743585 /nfs/dbraw/zinc/74/35/85/520743585.db2.gz XDPCMACNVSOQIZ-LJQANCHMSA-N 1 3 367.578 2.989 20 0 FFADHO CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596459220 521084114 /nfs/dbraw/zinc/08/41/14/521084114.db2.gz LBMNQYOOHJODAZ-GVDBMIGSSA-N 1 3 358.596 2.622 20 0 FFADHO CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596459220 521084123 /nfs/dbraw/zinc/08/41/23/521084123.db2.gz LBMNQYOOHJODAZ-GVDBMIGSSA-N 1 3 358.596 2.622 20 0 FFADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000593597509 521099927 /nfs/dbraw/zinc/09/99/27/521099927.db2.gz ZAVGJADTOPQNLR-ZWKOTPCHSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000618551854 521117945 /nfs/dbraw/zinc/11/79/45/521117945.db2.gz LJLWOMOFBFYZQI-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000618551854 521117954 /nfs/dbraw/zinc/11/79/54/521117954.db2.gz LJLWOMOFBFYZQI-XLIONFOSSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606660126 521128354 /nfs/dbraw/zinc/12/83/54/521128354.db2.gz QZHCZDPIHURCKT-ICSRJNTNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000606700538 521140663 /nfs/dbraw/zinc/14/06/63/521140663.db2.gz LVTRRJREHCFDFH-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cccc(OC3CC3)c2F)CC[NH2+]CC1 ZINC000596648161 521188103 /nfs/dbraw/zinc/18/81/03/521188103.db2.gz JXQLOTWACSTRRS-CQSZACIVSA-N 1 3 364.461 2.778 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CCCC[NH+](C)C)cc2)CC1 ZINC000607036158 521240048 /nfs/dbraw/zinc/24/00/48/521240048.db2.gz REZWSZATWPDJKB-UHFFFAOYSA-N 1 3 360.546 2.631 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000593876420 521266939 /nfs/dbraw/zinc/26/69/39/521266939.db2.gz XNQHDHSDNXFJQG-QWFCFKBJSA-N 1 3 358.530 2.673 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)CN3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000607278709 521311055 /nfs/dbraw/zinc/31/10/55/521311055.db2.gz SHQOUAVLSGEZIG-HDICACEKSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](C(=O)N(C)[C@H]1CCCN(C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607687164 521429696 /nfs/dbraw/zinc/42/96/96/521429696.db2.gz MOALDDUQBALOGW-RXVVDRJESA-N 1 3 357.542 2.882 20 0 FFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCN(Cc3ccccc3)CC1)C2 ZINC000615621814 521480012 /nfs/dbraw/zinc/48/00/12/521480012.db2.gz ZTXZQFFEWFNIME-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCN(Cc3ccccc3)CC1)C2 ZINC000615621814 521480019 /nfs/dbraw/zinc/48/00/19/521480019.db2.gz ZTXZQFFEWFNIME-QFIPXVFZSA-N 1 3 355.526 2.843 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000607937083 521510859 /nfs/dbraw/zinc/51/08/59/521510859.db2.gz ZVNIRNGWPPXBEZ-LEWJYISDSA-N 1 3 370.541 2.628 20 0 FFADHO COC(=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000597191016 521566638 /nfs/dbraw/zinc/56/66/38/521566638.db2.gz IRZGAPHXRWCXGU-UHFFFAOYSA-N 1 3 353.466 2.870 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000608301962 521648510 /nfs/dbraw/zinc/64/85/10/521648510.db2.gz XZWSMKHKSKNOBR-SJLPKXTDSA-N 1 3 362.518 2.964 20 0 FFADHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccncc2)CC1 ZINC000619535814 521757097 /nfs/dbraw/zinc/75/70/97/521757097.db2.gz GUDUJTLLZIZPGD-FQEVSTJZSA-N 1 3 364.493 2.642 20 0 FFADHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccncc2)CC1 ZINC000619535814 521757108 /nfs/dbraw/zinc/75/71/08/521757108.db2.gz GUDUJTLLZIZPGD-FQEVSTJZSA-N 1 3 364.493 2.642 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N(C)C ZINC000620192229 522111793 /nfs/dbraw/zinc/11/17/93/522111793.db2.gz IPOLZFWAQBHIGG-UXHICEINSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)N(C)C ZINC000620192229 522111795 /nfs/dbraw/zinc/11/17/95/522111795.db2.gz IPOLZFWAQBHIGG-UXHICEINSA-N 1 3 357.542 2.991 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000620196016 522114231 /nfs/dbraw/zinc/11/42/31/522114231.db2.gz KUNIDYJHSCKIDZ-ICSRJNTNSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000620196016 522114243 /nfs/dbraw/zinc/11/42/43/522114243.db2.gz KUNIDYJHSCKIDZ-ICSRJNTNSA-N 1 3 355.526 2.747 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000623616617 522162771 /nfs/dbraw/zinc/16/27/71/522162771.db2.gz UVSOWHQYXGPPOO-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000623616617 522162782 /nfs/dbraw/zinc/16/27/82/522162782.db2.gz UVSOWHQYXGPPOO-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C12CCC[NH+](CCC1)C2 ZINC000635438392 522263063 /nfs/dbraw/zinc/26/30/63/522263063.db2.gz CGBZSBYBKPVECH-FQEVSTJZSA-N 1 3 355.526 2.891 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623837296 522317373 /nfs/dbraw/zinc/31/73/73/522317373.db2.gz VIHJEMZCAKDXHC-UYAOXDASSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623837296 522317384 /nfs/dbraw/zinc/31/73/84/522317384.db2.gz VIHJEMZCAKDXHC-UYAOXDASSA-N 1 3 358.530 2.674 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCCCN1Cc1cccc(Cl)c1)CN1CCCC1 ZINC000629566680 522323146 /nfs/dbraw/zinc/32/31/46/522323146.db2.gz ZVYGJJDGSVWVGR-VQTJNVASSA-N 1 3 365.949 2.741 20 0 FFADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000623897921 522354975 /nfs/dbraw/zinc/35/49/75/522354975.db2.gz VLVHPSHHQDFKIU-LLVKDONJSA-N 1 3 365.827 2.731 20 0 FFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCCCO1 ZINC000623915533 522364717 /nfs/dbraw/zinc/36/47/17/522364717.db2.gz ISYVOLZOTBZRJC-XLIONFOSSA-N 1 3 359.514 2.559 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000626882767 522514494 /nfs/dbraw/zinc/51/44/94/522514494.db2.gz UURYQYQPYNLRNS-UHFFFAOYSA-N 1 3 362.518 2.538 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000626984531 522572166 /nfs/dbraw/zinc/57/21/66/522572166.db2.gz HTFDGNSPMOCTPX-JYYAWHABSA-N 1 3 350.532 2.571 20 0 FFADHO COc1cccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000621641183 522991390 /nfs/dbraw/zinc/99/13/90/522991390.db2.gz CEDHQZGDNVXAAR-FXAWDEMLSA-N 1 3 359.514 2.728 20 0 FFADHO CN1CCC(n2cc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)cn2)CC1 ZINC000636470126 523003110 /nfs/dbraw/zinc/00/31/10/523003110.db2.gz CNDKRECCUYSNOM-UHFFFAOYSA-N 1 3 362.522 2.536 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000624946615 523047761 /nfs/dbraw/zinc/04/77/61/523047761.db2.gz ZGAQKLKJGDQYMH-IHPCNDPISA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000624946615 523047765 /nfs/dbraw/zinc/04/77/65/523047765.db2.gz ZGAQKLKJGDQYMH-IHPCNDPISA-N 1 3 358.530 2.681 20 0 FFADHO NC(=O)COc1ccc(-c2ccc(C[NH2+][C@H]3CCCCC[C@H]3N)cc2)cc1 ZINC000622044956 523238021 /nfs/dbraw/zinc/23/80/21/523238021.db2.gz YRXAJLYDQJVQBV-RTWAWAEBSA-N 1 3 367.493 2.967 20 0 FFADHO CCN(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CC1 ZINC000625221102 523266534 /nfs/dbraw/zinc/26/65/34/523266534.db2.gz BRBYJSQLOPTHED-LEWJYISDSA-N 1 3 355.526 2.745 20 0 FFADHO CCN(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CC1 ZINC000625221102 523266544 /nfs/dbraw/zinc/26/65/44/523266544.db2.gz BRBYJSQLOPTHED-LEWJYISDSA-N 1 3 355.526 2.745 20 0 FFADHO CCO[C@H](CN1CCN(c2ccccc2OCC[NH+](C)C)CC1)C1CC1 ZINC000625257231 523295763 /nfs/dbraw/zinc/29/57/63/523295763.db2.gz YDKQLAXCQPARLW-OAQYLSRUSA-N 1 3 361.530 2.564 20 0 FFADHO CC(C)C[C@H](N)c1noc(CC2([NH3+])CCN(Cc3ccccc3)CC2)n1 ZINC000634555804 523500491 /nfs/dbraw/zinc/50/04/91/523500491.db2.gz VJNONUNKCWYILY-KRWDZBQOSA-N 1 3 357.502 2.652 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)C(F)(F)[C@H](C)C3)CC2)CC1 ZINC000628400206 523533387 /nfs/dbraw/zinc/53/33/87/523533387.db2.gz ZRKHQKCXYBHQJQ-HZPDHXFCSA-N 1 3 371.516 2.932 20 0 FFADHO CN(CCCNCc1c(F)ccc(Br)c1F)CC[NH+](C)C ZINC000623087945 523676046 /nfs/dbraw/zinc/67/60/46/523676046.db2.gz PXKLTXSLQUZFHA-UHFFFAOYSA-N 1 3 364.278 2.700 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000631663662 523740356 /nfs/dbraw/zinc/74/03/56/523740356.db2.gz KKBQZQDUKAKJSW-NWSQWKLXSA-N 1 3 371.569 2.988 20 0 FFADHO CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000821165169 599427870 /nfs/dbraw/zinc/42/78/70/599427870.db2.gz PZUXSYYHCPOZAC-UHFFFAOYSA-N 1 3 366.469 2.617 20 0 FFADHO CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000821165169 599427871 /nfs/dbraw/zinc/42/78/71/599427871.db2.gz PZUXSYYHCPOZAC-UHFFFAOYSA-N 1 3 366.469 2.617 20 0 FFADHO CN(C(=S)NC1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746398841 735480616 /nfs/dbraw/zinc/48/06/16/735480616.db2.gz VCIKFFPDNQQJON-IBGZPJMESA-N 1 3 360.571 2.552 20 0 FFADHO CN(C)C(=O)CC[NH+]1CCC(NC/C=C/c2ccc(F)c(F)c2)CC1 ZINC000512053650 729931278 /nfs/dbraw/zinc/93/12/78/729931278.db2.gz SELQLHDDQJDDHC-ONEGZZNKSA-N 1 3 351.441 2.510 20 0 FFADHO Cc1ncc(CNC(=O)CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000639581558 730088129 /nfs/dbraw/zinc/08/81/29/730088129.db2.gz YCLAZVMAJYBQNV-GDBMZVCRSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1ncc(CNC(=O)CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000639581558 730088130 /nfs/dbraw/zinc/08/81/30/730088130.db2.gz YCLAZVMAJYBQNV-GDBMZVCRSA-N 1 3 364.559 2.700 20 0 FFADHO O[C@@H]1CCN(CCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@H]12 ZINC000640097854 730122978 /nfs/dbraw/zinc/12/29/78/730122978.db2.gz BCNQGARWMGELNG-FITZOCOBSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCN(CCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@H]12 ZINC000640097854 730122980 /nfs/dbraw/zinc/12/29/80/730122980.db2.gz BCNQGARWMGELNG-FITZOCOBSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CC[N@@H+](CCCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@H]12 ZINC000640097854 730122981 /nfs/dbraw/zinc/12/29/81/730122981.db2.gz BCNQGARWMGELNG-FITZOCOBSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CC[N@H+](CCCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@H]12 ZINC000640097854 730122983 /nfs/dbraw/zinc/12/29/83/730122983.db2.gz BCNQGARWMGELNG-FITZOCOBSA-N 1 3 350.547 2.627 20 0 FFADHO O=C(CCNCC1([NH+]2CCCC2)CCOCC1)Nc1cccc(Cl)c1 ZINC000644547303 730480965 /nfs/dbraw/zinc/48/09/65/730480965.db2.gz DGSREKVQIGJPBN-UHFFFAOYSA-N 1 3 365.905 2.903 20 0 FFADHO CCCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@H]1CCN(C)C1 ZINC000645350592 730546638 /nfs/dbraw/zinc/54/66/38/730546638.db2.gz HVNQVOUNKUALOH-IBGZPJMESA-N 1 3 352.567 2.870 20 0 FFADHO CCCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCN(C)C1 ZINC000645422397 730551598 /nfs/dbraw/zinc/55/15/98/730551598.db2.gz LLYUTRUIDZJGTI-ZHALLVOQSA-N 1 3 350.551 2.765 20 0 FFADHO CCCN(C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCN(C)C1 ZINC000645422397 730551601 /nfs/dbraw/zinc/55/16/01/730551601.db2.gz LLYUTRUIDZJGTI-ZHALLVOQSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862366941 730692535 /nfs/dbraw/zinc/69/25/35/730692535.db2.gz PEBYVAGVNNIVPT-CABCVRRESA-N 1 3 361.477 2.951 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862366941 730692538 /nfs/dbraw/zinc/69/25/38/730692538.db2.gz PEBYVAGVNNIVPT-CABCVRRESA-N 1 3 361.477 2.951 20 0 FFADHO COCCN(CCN1CC[NH2+]CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000647879590 730768569 /nfs/dbraw/zinc/76/85/69/730768569.db2.gz VSVURJDUZIFOMJ-HNNXBMFYSA-N 1 3 359.436 2.620 20 0 FFADHO CCN(CC)c1ncc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650721764 731023171 /nfs/dbraw/zinc/02/31/71/731023171.db2.gz AKSANBVGEXQKKD-UAGQMJEPSA-N 1 3 352.548 2.850 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)CC[NH+]1CCCCC1)c1ccco1 ZINC000651092336 731054786 /nfs/dbraw/zinc/05/47/86/731054786.db2.gz HXTYUQAXJUAEJQ-IAGOWNOFSA-N 1 3 350.507 2.836 20 0 FFADHO CC(C)N(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CCCC1 ZINC000652362456 731187640 /nfs/dbraw/zinc/18/76/40/731187640.db2.gz HSLDQIQMFMKKOF-QRQLOZEOSA-N 1 3 351.535 2.527 20 0 FFADHO CCN(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CCCCC1 ZINC000652360908 731187776 /nfs/dbraw/zinc/18/77/76/731187776.db2.gz TVPZHJZKGAXLEP-BHIYHBOVSA-N 1 3 351.535 2.528 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653114775 731240692 /nfs/dbraw/zinc/24/06/92/731240692.db2.gz WEJXGMRHQWGNFJ-RTBURBONSA-N 1 3 359.539 2.747 20 0 FFADHO CC1(C)[C@@H](NCC2(n3cc(Br)cn3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925838820 738534996 /nfs/dbraw/zinc/53/49/96/738534996.db2.gz OINXKKIVLYYIAM-RDBSUJKOSA-N 1 3 353.308 2.501 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925838820 738534998 /nfs/dbraw/zinc/53/49/98/738534998.db2.gz OINXKKIVLYYIAM-RDBSUJKOSA-N 1 3 353.308 2.501 20 0 FFADHO COC[C@H](NCCCCCN1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000925847803 738536138 /nfs/dbraw/zinc/53/61/38/738536138.db2.gz VZKMHYPRPFGTOY-KRWDZBQOSA-N 1 3 357.901 2.832 20 0 FFADHO CC(C)[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)ccc1F ZINC000925852432 738537295 /nfs/dbraw/zinc/53/72/95/738537295.db2.gz URKRZQDKTQVRMM-YOEHRIQHSA-N 1 3 352.425 2.937 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]CCSCc3ccccc3)c2)nn1 ZINC000873215442 731891979 /nfs/dbraw/zinc/89/19/79/731891979.db2.gz AKHRKROWPNHYSG-UHFFFAOYSA-N 1 3 353.495 2.749 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2c(s1)CCNC2 ZINC000662356462 732302142 /nfs/dbraw/zinc/30/21/42/732302142.db2.gz RHGODJILFSPZEB-UHFFFAOYSA-N 1 3 355.507 2.920 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000876958546 732303421 /nfs/dbraw/zinc/30/34/21/732303421.db2.gz HEBGWJQZJXWTRO-AWEZNQCLSA-N 1 3 350.532 2.521 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccsc1 ZINC000662678388 732345353 /nfs/dbraw/zinc/34/53/53/732345353.db2.gz DKUKJZFGNCPQJP-HIFRSBDPSA-N 1 3 363.449 2.789 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc(Cl)n1 ZINC000877426888 732360175 /nfs/dbraw/zinc/36/01/75/732360175.db2.gz SIGWPVBPJQNKII-XJKSGUPXSA-N 1 3 358.873 2.913 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000665553718 732726709 /nfs/dbraw/zinc/72/67/09/732726709.db2.gz ZMIBAJWDZGYMIC-SJORKVTESA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000665553718 732726714 /nfs/dbraw/zinc/72/67/14/732726714.db2.gz ZMIBAJWDZGYMIC-SJORKVTESA-N 1 3 350.482 2.600 20 0 FFADHO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000665757197 732751973 /nfs/dbraw/zinc/75/19/73/732751973.db2.gz BAPKYDFCABKITE-ZFWWWQNUSA-N 1 3 369.579 2.734 20 0 FFADHO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000665757197 732751977 /nfs/dbraw/zinc/75/19/77/732751977.db2.gz BAPKYDFCABKITE-ZFWWWQNUSA-N 1 3 369.579 2.734 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2sc(Cl)cc2C1 ZINC000665763990 732753549 /nfs/dbraw/zinc/75/35/49/732753549.db2.gz QSBHRLDLPVOFPG-ZDUSSCGKSA-N 1 3 372.966 2.741 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2sc(Cl)cc2C1 ZINC000665763990 732753551 /nfs/dbraw/zinc/75/35/51/732753551.db2.gz QSBHRLDLPVOFPG-ZDUSSCGKSA-N 1 3 372.966 2.741 20 0 FFADHO CC1(N2CCC2)CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000880470774 732912526 /nfs/dbraw/zinc/91/25/26/732912526.db2.gz MQFYTVXHRNFCIN-KRWDZBQOSA-N 1 3 352.906 2.778 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(F)c1OC ZINC000885992378 733738956 /nfs/dbraw/zinc/73/89/56/733738956.db2.gz GLBKKJWFHDTPEP-GJZGRUSLSA-N 1 3 354.466 2.822 20 0 FFADHO CN(Cc1ncccc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683221500 734136784 /nfs/dbraw/zinc/13/67/84/734136784.db2.gz PFFPECVZDWPHMW-HNNXBMFYSA-N 1 3 356.436 2.701 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892482551 734564370 /nfs/dbraw/zinc/56/43/70/734564370.db2.gz YNOZCLPHFBXIPK-MRXNPFEDSA-N 1 3 352.548 2.600 20 0 FFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000892580548 734576198 /nfs/dbraw/zinc/57/61/98/734576198.db2.gz MDAVWCBTIOEKDU-HLIPFELVSA-N 1 3 364.555 2.831 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902351677 735935772 /nfs/dbraw/zinc/93/57/72/735935772.db2.gz FQPBCMOSZHMLSQ-WMLDXEAASA-N 1 3 354.445 2.528 20 0 FFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccc(F)c(F)c1 ZINC000903161385 736044965 /nfs/dbraw/zinc/04/49/65/736044965.db2.gz SSJNXWQBSWKTHE-UNPWZGGWSA-N 1 3 350.453 2.863 20 0 FFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(F)c(F)c1 ZINC000903161385 736044968 /nfs/dbraw/zinc/04/49/68/736044968.db2.gz SSJNXWQBSWKTHE-UNPWZGGWSA-N 1 3 350.453 2.863 20 0 FFADHO CCN(CC)[C@H](CNC(=S)NCC1CC[NH+](C)CC1)c1ccsc1 ZINC000760473712 736641846 /nfs/dbraw/zinc/64/18/46/736641846.db2.gz FLSIQCBZXWYRFJ-QGZVFWFLSA-N 1 3 368.616 2.937 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(O)c2ccc(F)cc2)[C@H](C)C1 ZINC000773122257 737873300 /nfs/dbraw/zinc/87/33/00/737873300.db2.gz XADCISCFTVMOCH-UXPWSPDFSA-N 1 3 352.494 2.760 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(O)c2ccc(F)cc2)[C@H](C)C1 ZINC000773122257 737873303 /nfs/dbraw/zinc/87/33/03/737873303.db2.gz XADCISCFTVMOCH-UXPWSPDFSA-N 1 3 352.494 2.760 20 0 FFADHO CCN(CC)[C@H](CNC(=S)NC1CC[NH+](C)CC1)c1ccsc1 ZINC000920309927 737899777 /nfs/dbraw/zinc/89/97/77/737899777.db2.gz DSPBIHZRBHERQJ-MRXNPFEDSA-N 1 3 354.589 2.689 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc([C@@H]3CCCO3)s1)C2 ZINC000922389862 738135808 /nfs/dbraw/zinc/13/58/08/738135808.db2.gz XXYQUGXKTSILHW-GJGATLCTSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc([C@@H]3CCCO3)s1)C2 ZINC000922389862 738135812 /nfs/dbraw/zinc/13/58/12/738135812.db2.gz XXYQUGXKTSILHW-GJGATLCTSA-N 1 3 365.543 2.564 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000776200344 738170419 /nfs/dbraw/zinc/17/04/19/738170419.db2.gz CUZNUGCGOCPKIG-MRXNPFEDSA-N 1 3 350.576 2.559 20 0 FFADHO O[C@H](CN(Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1)c1ccsc1 ZINC000923318615 738270247 /nfs/dbraw/zinc/27/02/47/738270247.db2.gz NCYAYBCXQFRSJI-RTBURBONSA-N 1 3 358.507 2.662 20 0 FFADHO CN1CCC(NC(=S)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000777482694 738293016 /nfs/dbraw/zinc/29/30/16/738293016.db2.gz HAVVIQVQCJHWGL-HXUWFJFHSA-N 1 3 360.571 2.599 20 0 FFADHO CN1CCC(NC(=S)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000777482694 738293018 /nfs/dbraw/zinc/29/30/18/738293018.db2.gz HAVVIQVQCJHWGL-HXUWFJFHSA-N 1 3 360.571 2.599 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)CC1 ZINC000933443464 739627165 /nfs/dbraw/zinc/62/71/65/739627165.db2.gz RUILWMCXXCBENX-FQEVSTJZSA-N 1 3 367.965 2.639 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000948388790 740343284 /nfs/dbraw/zinc/34/32/84/740343284.db2.gz JZVCSLROLUAGHI-OWCLPIDISA-N 1 3 363.468 2.982 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCCN(CCC(F)(F)F)CC2)CC[N@H+]1C ZINC000948388790 740343287 /nfs/dbraw/zinc/34/32/87/740343287.db2.gz JZVCSLROLUAGHI-OWCLPIDISA-N 1 3 363.468 2.982 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2cc(C)ns2)CC[N@@H+]1C ZINC000960007852 740607864 /nfs/dbraw/zinc/60/78/64/740607864.db2.gz KCIVOIPCOIPLMF-RYQLBKOJSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2cc(C)ns2)CC[N@H+]1C ZINC000960007852 740607866 /nfs/dbraw/zinc/60/78/66/740607866.db2.gz KCIVOIPCOIPLMF-RYQLBKOJSA-N 1 3 364.559 2.653 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802720263 740720470 /nfs/dbraw/zinc/72/04/70/740720470.db2.gz FIKKPPLQRNTTHN-DLBZAZTESA-N 1 3 368.978 2.891 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802720263 740720473 /nfs/dbraw/zinc/72/04/73/740720473.db2.gz FIKKPPLQRNTTHN-DLBZAZTESA-N 1 3 368.978 2.891 20 0 FFADHO O=S(=O)(CCNC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000819143212 742343131 /nfs/dbraw/zinc/34/31/31/742343131.db2.gz XFUGLIQDNZJKLO-UHFFFAOYSA-N 1 3 350.528 2.847 20 0 FFADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1 ZINC000819173993 742348156 /nfs/dbraw/zinc/34/81/56/742348156.db2.gz NJOMKBVESDTXET-OTWHNJEPSA-N 1 3 352.906 2.731 20 0 FFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001022105212 742643974 /nfs/dbraw/zinc/64/39/74/742643974.db2.gz URXJFLBMRLQSJC-LKAFINOVSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001022105212 742643979 /nfs/dbraw/zinc/64/39/79/742643979.db2.gz URXJFLBMRLQSJC-LKAFINOVSA-N 1 3 351.441 2.603 20 0 FFADHO Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001028549576 742792592 /nfs/dbraw/zinc/79/25/92/742792592.db2.gz RKUHQQGMEVXAEC-JFIYKMOQSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001028549576 742792596 /nfs/dbraw/zinc/79/25/96/742792596.db2.gz RKUHQQGMEVXAEC-JFIYKMOQSA-N 1 3 363.933 2.927 20 0 FFADHO Cc1csc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001029101502 742805515 /nfs/dbraw/zinc/80/55/15/742805515.db2.gz HDMVXXOTFJLKGH-ZMSDIMECSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1csc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001029101502 742805520 /nfs/dbraw/zinc/80/55/20/742805520.db2.gz HDMVXXOTFJLKGH-ZMSDIMECSA-N 1 3 364.559 2.508 20 0 FFADHO CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000834904025 745922258 /nfs/dbraw/zinc/92/22/58/745922258.db2.gz MELDQPUFOBOVSW-XFQXTVEOSA-N 1 3 350.503 2.992 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841285916 747312959 /nfs/dbraw/zinc/31/29/59/747312959.db2.gz WZRHSIKBVFWBGX-UHFFFAOYSA-N 1 3 362.499 2.681 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc(Cl)n1 ZINC000842515154 747623980 /nfs/dbraw/zinc/62/39/80/747623980.db2.gz UTKPEVDPBSCDHM-YJBOKZPZSA-N 1 3 364.921 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc(Cl)n1 ZINC000843506420 747845859 /nfs/dbraw/zinc/84/58/59/747845859.db2.gz CDHPUYSVDZNBCP-IRXDYDNUSA-N 1 3 358.873 2.518 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(Cl)n1 ZINC000844178211 747983646 /nfs/dbraw/zinc/98/36/46/747983646.db2.gz MCSFPLRROQYDBV-JKSUJKDBSA-N 1 3 350.894 2.520 20 0 FFADHO CN(C)C1(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CCCC1 ZINC000849056309 749042635 /nfs/dbraw/zinc/04/26/35/749042635.db2.gz ASEYCNUYKYREFR-UHFFFAOYSA-N 1 3 363.937 2.861 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21)CN(C)C ZINC000850470456 749369247 /nfs/dbraw/zinc/36/92/47/749369247.db2.gz DVLUSHMESZORTK-CZUORRHYSA-N 1 3 357.420 2.810 20 0 FFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)C1 ZINC000850491804 749373651 /nfs/dbraw/zinc/37/36/51/749373651.db2.gz QVRUJYBFIVXHAA-BZHBSQSBSA-N 1 3 354.482 2.930 20 0 FFADHO O[C@@H](CN(Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccsc1 ZINC000852746780 749942605 /nfs/dbraw/zinc/94/26/05/749942605.db2.gz SWLLRRAFHDEBHU-OALUTQOASA-N 1 3 358.507 2.805 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000852861372 749965852 /nfs/dbraw/zinc/96/58/52/749965852.db2.gz CZXIIDPWSJZEJT-GOEBONIOSA-N 1 3 352.910 2.670 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000853241920 750036515 /nfs/dbraw/zinc/03/65/15/750036515.db2.gz YSQDZHUNGUAFDE-NVXWUHKLSA-N 1 3 351.535 2.953 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000853241922 750036603 /nfs/dbraw/zinc/03/66/03/750036603.db2.gz YSQDZHUNGUAFDE-RDJZCZTQSA-N 1 3 351.535 2.953 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000895786873 970950139 /nfs/dbraw/zinc/95/01/39/970950139.db2.gz FIYDOXHYJVHNBL-FQEVSTJZSA-N 1 3 359.514 2.725 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001104938013 971187562 /nfs/dbraw/zinc/18/75/62/971187562.db2.gz MVUDYQWHNPOADT-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO Cc1nc([C@@H]2CCN(Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)no1 ZINC000896238993 971369546 /nfs/dbraw/zinc/36/95/46/971369546.db2.gz YSMWSSFQYCCDCQ-GOSISDBHSA-N 1 3 369.513 2.898 20 0 FFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966731 971373724 /nfs/dbraw/zinc/37/37/24/971373724.db2.gz RUBXJOUUTXTTBB-KURKYZTESA-N 1 3 353.526 2.779 20 0 FFADHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966731 971373732 /nfs/dbraw/zinc/37/37/32/971373732.db2.gz RUBXJOUUTXTTBB-KURKYZTESA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCOCC2)C1 ZINC001105066687 971446494 /nfs/dbraw/zinc/44/64/94/971446494.db2.gz BSZLFDBVBPJLHG-UYAOXDASSA-N 1 3 367.578 2.608 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001105067014 971448139 /nfs/dbraw/zinc/44/81/39/971448139.db2.gz JAXNGQOESXFAFJ-QWFCFKBJSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2ccc(F)cc2Cl)C2CC2)CC[N@@H+]1C ZINC001266409870 960299506 /nfs/dbraw/zinc/29/95/06/960299506.db2.gz SLJCFUOVMCSJOD-NJAPINKUSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2ccc(F)cc2Cl)C2CC2)CC[N@H+]1C ZINC001266409870 960299512 /nfs/dbraw/zinc/29/95/12/960299512.db2.gz SLJCFUOVMCSJOD-NJAPINKUSA-N 1 3 367.896 2.804 20 0 FFADHO Cc1cc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc(N2CCN(C(C)C)CC2)c1 ZINC000655610647 960871817 /nfs/dbraw/zinc/87/18/17/960871817.db2.gz OUOIKJLBOZHWOD-IFMALSPDSA-N 1 3 370.541 2.854 20 0 FFADHO Cc1ccc([C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000655704744 961119186 /nfs/dbraw/zinc/11/91/86/961119186.db2.gz JZVUBMSMIJGKIF-VQTJNVASSA-N 1 3 361.530 2.958 20 0 FFADHO Cc1ccc([C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000655704744 961119198 /nfs/dbraw/zinc/11/91/98/961119198.db2.gz JZVUBMSMIJGKIF-VQTJNVASSA-N 1 3 361.530 2.958 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000655730998 961197393 /nfs/dbraw/zinc/19/73/93/961197393.db2.gz UEXKGQFOTGNLRT-KRWDZBQOSA-N 1 3 373.520 2.683 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](N(C)CC[N@H+](C)C1CCN(C)CC1)CC2 ZINC000639170335 961567784 /nfs/dbraw/zinc/56/77/84/961567784.db2.gz TXLIDHMNJVJPHG-IBGZPJMESA-N 1 3 361.530 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](N(C)CC[N@@H+](C)C1CCN(C)CC1)CC2 ZINC000639170335 961567801 /nfs/dbraw/zinc/56/78/01/961567801.db2.gz TXLIDHMNJVJPHG-IBGZPJMESA-N 1 3 361.530 2.649 20 0 FFADHO Cc1ccccc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291527 962338678 /nfs/dbraw/zinc/33/86/78/962338678.db2.gz NZIDSVLRHSQTFP-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C1(N)Cc2ccccc2C1)c1ccccc1 ZINC000649322184 1013350025 /nfs/dbraw/zinc/35/00/25/1013350025.db2.gz DKCKDPWGXQEPEP-INIZCTEOSA-N 1 3 351.494 2.728 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cccs2)C1)N(C)C ZINC001104319331 963266689 /nfs/dbraw/zinc/26/66/89/963266689.db2.gz OTWDVTGONPWELD-LMMKCTJWSA-N 1 3 365.587 2.951 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[NH2+]CCC12CCC2 ZINC000891350916 963379506 /nfs/dbraw/zinc/37/95/06/963379506.db2.gz XVNZEKUUCLUDPT-IBGZPJMESA-N 1 3 356.514 2.751 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2sc(C)nc2C)C1)N(C)C ZINC001104346922 963695297 /nfs/dbraw/zinc/69/52/97/963695297.db2.gz KYKUXOMBYVSTDP-KBRIMQKVSA-N 1 3 366.575 2.674 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000656540398 963807984 /nfs/dbraw/zinc/80/79/84/963807984.db2.gz HOWUMSBXOBUJSN-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000656540398 963807990 /nfs/dbraw/zinc/80/79/90/963807990.db2.gz HOWUMSBXOBUJSN-QUCCMNQESA-N 1 3 374.529 2.568 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(C)c(F)c3)C2)CC[N@@H+]1C ZINC000971568562 964185181 /nfs/dbraw/zinc/18/51/81/964185181.db2.gz ZUKAIIVXJBSOEP-WSTZPKSXSA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(C)c(F)c3)C2)CC[N@H+]1C ZINC000971568562 964185187 /nfs/dbraw/zinc/18/51/87/964185187.db2.gz ZUKAIIVXJBSOEP-WSTZPKSXSA-N 1 3 361.505 2.897 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000664366468 964204121 /nfs/dbraw/zinc/20/41/21/964204121.db2.gz KSYBGFHSIMLGGG-DNVCBOLYSA-N 1 3 365.481 2.672 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000664366468 964204134 /nfs/dbraw/zinc/20/41/34/964204134.db2.gz KSYBGFHSIMLGGG-DNVCBOLYSA-N 1 3 365.481 2.672 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001022107098 964302783 /nfs/dbraw/zinc/30/27/83/964302783.db2.gz SBCVOKPOLXAUJW-XMFUBXPQSA-N 1 3 365.468 2.993 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001022107098 964302791 /nfs/dbraw/zinc/30/27/91/964302791.db2.gz SBCVOKPOLXAUJW-XMFUBXPQSA-N 1 3 365.468 2.993 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N2CCC23CC[NH+](C)CC3)N(C)C)cc1 ZINC000891538785 964446542 /nfs/dbraw/zinc/44/65/42/964446542.db2.gz DLRSJXCPXSCBQH-LJQANCHMSA-N 1 3 358.530 2.731 20 0 FFADHO CC(C)(C)[C@@H](CN1C(=O)CCC1=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982006 965630866 /nfs/dbraw/zinc/63/08/66/965630866.db2.gz SMDKAGSOWUTUES-HQSKLWIPSA-N 1 3 361.530 2.545 20 0 FFADHO CC(C)(C)[C@@H](CN1C(=O)CCC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982006 965630874 /nfs/dbraw/zinc/63/08/74/965630874.db2.gz SMDKAGSOWUTUES-HQSKLWIPSA-N 1 3 361.530 2.545 20 0 FFADHO COC[C@@H](C)Oc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000657363738 966298797 /nfs/dbraw/zinc/29/87/97/966298797.db2.gz BAMWOAYWKJLREJ-MJGOQNOKSA-N 1 3 362.514 2.691 20 0 FFADHO Cc1ncsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC[C@@H]1C ZINC001087212747 966585541 /nfs/dbraw/zinc/58/55/41/966585541.db2.gz OMDBMWDSYVOINF-VYDXJSESSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)c1 ZINC001087219143 966747987 /nfs/dbraw/zinc/74/79/87/966747987.db2.gz KNLXTHFSZVKZDB-QRWLVFNGSA-N 1 3 354.498 2.986 20 0 FFADHO CC[C@H](C)Oc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000685042678 967052972 /nfs/dbraw/zinc/05/29/72/967052972.db2.gz MBTBFPZYNMVFQI-KRWDZBQOSA-N 1 3 363.546 2.988 20 0 FFADHO COc1cc2c(cc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)O[C@H](C)C2 ZINC000650721816 967603108 /nfs/dbraw/zinc/60/31/08/967603108.db2.gz CERJHQBKMDTKKD-UTQVJTIVSA-N 1 3 360.498 2.879 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892393284 968212982 /nfs/dbraw/zinc/21/29/82/968212982.db2.gz MYXXXRZGPBUQTM-INIZCTEOSA-N 1 3 362.518 2.664 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1csc(C)c1 ZINC001087574417 968215893 /nfs/dbraw/zinc/21/58/93/968215893.db2.gz FPJAIFZMJPDGQI-GBESFXJTSA-N 1 3 361.555 2.867 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1cccc(COC)c1 ZINC001087577942 968222968 /nfs/dbraw/zinc/22/29/68/968222968.db2.gz RMEHWVPHZNVCHK-RZXSNQJFSA-N 1 3 373.541 2.642 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1cccc(COC)c1 ZINC001087577942 968222979 /nfs/dbraw/zinc/22/29/79/968222979.db2.gz RMEHWVPHZNVCHK-RZXSNQJFSA-N 1 3 373.541 2.642 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1cc(F)ccc1C ZINC001087711702 968734280 /nfs/dbraw/zinc/73/42/80/968734280.db2.gz SDQFRBJLNDOAGL-VQTJNVASSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CCC1CC1 ZINC001087723426 968747461 /nfs/dbraw/zinc/74/74/61/968747461.db2.gz OXDDMXPJQCUKRE-SQGPQFPESA-N 1 3 353.526 2.968 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CCC1CC1 ZINC001087723426 968747467 /nfs/dbraw/zinc/74/74/67/968747467.db2.gz OXDDMXPJQCUKRE-SQGPQFPESA-N 1 3 353.526 2.968 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001024446367 968913471 /nfs/dbraw/zinc/91/34/71/968913471.db2.gz CCOBDMZAQYAHLJ-VOQZNFBZSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001024446367 968913482 /nfs/dbraw/zinc/91/34/82/968913482.db2.gz CCOBDMZAQYAHLJ-VOQZNFBZSA-N 1 3 369.553 2.986 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892495382 969147442 /nfs/dbraw/zinc/14/74/42/969147442.db2.gz AUIUAWBDHYROKJ-KRWDZBQOSA-N 1 3 364.509 2.677 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659037848 969650387 /nfs/dbraw/zinc/65/03/87/969650387.db2.gz JXACCWWNQDXGHD-GXOAENINSA-N 1 3 360.502 2.589 20 0 FFADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659038481 969656386 /nfs/dbraw/zinc/65/63/86/969656386.db2.gz RGFJKUKUJKNOFU-FXAWDEMLSA-N 1 3 372.513 2.687 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659038483 969656418 /nfs/dbraw/zinc/65/64/18/969656418.db2.gz RGFJKUKUJKNOFU-XLIONFOSSA-N 1 3 372.513 2.687 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)cc2)CC1 ZINC000874845991 1013916328 /nfs/dbraw/zinc/91/63/28/1013916328.db2.gz XBIATCFFHFHLDR-RTWAWAEBSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cc2)CC1 ZINC000874845991 1013916332 /nfs/dbraw/zinc/91/63/32/1013916332.db2.gz XBIATCFFHFHLDR-RTWAWAEBSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)cc2)CC1 ZINC000874845987 1013916656 /nfs/dbraw/zinc/91/66/56/1013916656.db2.gz XBIATCFFHFHLDR-LEWJYISDSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)cc2)CC1 ZINC000874845987 1013916657 /nfs/dbraw/zinc/91/66/57/1013916657.db2.gz XBIATCFFHFHLDR-LEWJYISDSA-N 1 3 370.541 2.526 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000659493546 969983219 /nfs/dbraw/zinc/98/32/19/969983219.db2.gz VHQDLJAXLLVVEU-RTBURBONSA-N 1 3 364.534 2.749 20 0 FFADHO Cc1cnc(CNCC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)s1 ZINC001104641233 970010958 /nfs/dbraw/zinc/01/09/58/970010958.db2.gz GKKBOFXTNRYQJI-QGPMSJSTSA-N 1 3 366.575 2.612 20 0 FFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001104679285 970087762 /nfs/dbraw/zinc/08/77/62/970087762.db2.gz IBLOMFRVAWOXKH-QKNQBKEWSA-N 1 3 357.542 2.911 20 0 FFADHO CC[C@@H](O)C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000644519937 970451886 /nfs/dbraw/zinc/45/18/86/970451886.db2.gz BSTRTDYREYEEIB-GOSISDBHSA-N 1 3 373.463 2.968 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001116033338 1032077975 /nfs/dbraw/zinc/07/79/75/1032077975.db2.gz SCWZLFOELNPSTR-HSALFYBXSA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)OCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524373 972759123 /nfs/dbraw/zinc/75/91/23/972759123.db2.gz KSOGHMUMLSRIQL-ZVDOUQERSA-N 1 3 367.578 2.606 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001088106062 972821174 /nfs/dbraw/zinc/82/11/74/972821174.db2.gz MBGRTOTWJDEZQE-FVCFJMEYSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2C1 ZINC001088106062 972821185 /nfs/dbraw/zinc/82/11/85/972821185.db2.gz MBGRTOTWJDEZQE-FVCFJMEYSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660989858 973326485 /nfs/dbraw/zinc/32/64/85/973326485.db2.gz BVEHIFUDLHOKNJ-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660989858 973326494 /nfs/dbraw/zinc/32/64/94/973326494.db2.gz BVEHIFUDLHOKNJ-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO CCCN(C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[C@H]1CCN(C)C1 ZINC000876068414 1014120382 /nfs/dbraw/zinc/12/03/82/1014120382.db2.gz OVRXOTRUPAXYAG-FQEVSTJZSA-N 1 3 372.557 2.776 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088212399 973671422 /nfs/dbraw/zinc/67/14/22/973671422.db2.gz JDLUQDASZJZNBA-NEWSRXKRSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000665637661 973790058 /nfs/dbraw/zinc/79/00/58/973790058.db2.gz KIXCDDUMTQQYAU-LPHOPBHVSA-N 1 3 364.509 2.944 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000665637661 973790063 /nfs/dbraw/zinc/79/00/63/973790063.db2.gz KIXCDDUMTQQYAU-LPHOPBHVSA-N 1 3 364.509 2.944 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000661193588 973841097 /nfs/dbraw/zinc/84/10/97/973841097.db2.gz SIRNSLZHDHNUDM-QRQLOZEOSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000661193588 973841102 /nfs/dbraw/zinc/84/11/02/973841102.db2.gz SIRNSLZHDHNUDM-QRQLOZEOSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000665759400 974088197 /nfs/dbraw/zinc/08/81/97/974088197.db2.gz FLQHVHMAGVGUCW-CMKODMSKSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000665759400 974088203 /nfs/dbraw/zinc/08/82/03/974088203.db2.gz FLQHVHMAGVGUCW-CMKODMSKSA-N 1 3 360.546 2.846 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N2CCCC2)c1 ZINC000237313001 974163238 /nfs/dbraw/zinc/16/32/38/974163238.db2.gz UWGVISYXIRGWNY-UWJYYQICSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000661507703 974396891 /nfs/dbraw/zinc/39/68/91/974396891.db2.gz SVNCASPIVAVNJO-NEWSRXKRSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CN1Cc1ccccc1 ZINC000661507703 974396894 /nfs/dbraw/zinc/39/68/94/974396894.db2.gz SVNCASPIVAVNJO-NEWSRXKRSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000662924549 974637532 /nfs/dbraw/zinc/63/75/32/974637532.db2.gz BQSMRTVRKMLLSE-AEFFLSMTSA-N 1 3 371.447 2.931 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CC2)C1)CC(C)(C)C ZINC001211676359 974987287 /nfs/dbraw/zinc/98/72/87/974987287.db2.gz KFPWEXSHUYUTAJ-VQTJNVASSA-N 1 3 357.542 2.959 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000661955292 975011810 /nfs/dbraw/zinc/01/18/10/975011810.db2.gz FMLIUHMBCFFGOI-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000661955292 975011817 /nfs/dbraw/zinc/01/18/17/975011817.db2.gz FMLIUHMBCFFGOI-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680036 975066993 /nfs/dbraw/zinc/06/69/93/975066993.db2.gz DOHNYJZEBLKEET-RBUKOAKNSA-N 1 3 354.498 2.973 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680135 975068633 /nfs/dbraw/zinc/06/86/33/975068633.db2.gz IQOLCPAMWRWFSA-VQTJNVASSA-N 1 3 354.498 2.973 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2ccccc2)C1 ZINC001112529496 975346256 /nfs/dbraw/zinc/34/62/56/975346256.db2.gz BYESQOBPYVABTB-RRPUWOKSSA-N 1 3 369.553 2.932 20 0 FFADHO COc1ccc([C@@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000662344652 975446378 /nfs/dbraw/zinc/44/63/78/975446378.db2.gz ZIRFHJWZMNJKIJ-FXAWDEMLSA-N 1 3 361.530 2.959 20 0 FFADHO CN1CCN(Cc2ccc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)cc2)CC1 ZINC000662383594 975465794 /nfs/dbraw/zinc/46/57/94/975465794.db2.gz DLYCBPOIDBHECY-NRFANRHFSA-N 1 3 364.493 2.607 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000662445384 975546287 /nfs/dbraw/zinc/54/62/87/975546287.db2.gz QJOQCKOSUCZWSU-NRFANRHFSA-N 1 3 367.493 2.868 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995029 975592659 /nfs/dbraw/zinc/59/26/59/975592659.db2.gz AUFUCGLEOXRBIB-CABCVRRESA-N 1 3 361.486 2.685 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662479738 975607002 /nfs/dbraw/zinc/60/70/02/975607002.db2.gz LTTYDFJOKNNYPQ-UTKZUKDTSA-N 1 3 369.509 2.592 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C[C@@H](C)O1 ZINC000662687262 975824192 /nfs/dbraw/zinc/82/41/92/975824192.db2.gz FYJZXBVZLMLTCG-MBOZVWFJSA-N 1 3 373.541 2.684 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(Cc3ccccc3C3CC3)CC2)CC[N@@H+]1C ZINC000981194966 976336754 /nfs/dbraw/zinc/33/67/54/976336754.db2.gz XSAUHGMLHAFMGG-YLJYHZDGSA-N 1 3 355.526 2.939 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(Cc3ccccc3C3CC3)CC2)CC[N@H+]1C ZINC000981194966 976336768 /nfs/dbraw/zinc/33/67/68/976336768.db2.gz XSAUHGMLHAFMGG-YLJYHZDGSA-N 1 3 355.526 2.939 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)C1 ZINC001211707558 977319135 /nfs/dbraw/zinc/31/91/35/977319135.db2.gz ZIIFGZQMPQAHQQ-BJENNACASA-N 1 3 361.917 2.665 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)C1 ZINC001211707558 977319140 /nfs/dbraw/zinc/31/91/40/977319140.db2.gz ZIIFGZQMPQAHQQ-BJENNACASA-N 1 3 361.917 2.665 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438850885 977450586 /nfs/dbraw/zinc/45/05/86/977450586.db2.gz IXQHODUEKMWREB-IRXDYDNUSA-N 1 3 361.534 2.637 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000876897175 1014411835 /nfs/dbraw/zinc/41/18/35/1014411835.db2.gz QKHDICNYOLVLRV-GFOMBABLSA-N 1 3 356.514 2.711 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899145 978433118 /nfs/dbraw/zinc/43/31/18/978433118.db2.gz AUBRCLDNGCUQJS-QFBILLFUSA-N 1 3 355.482 2.527 20 0 FFADHO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000796427185 1014529204 /nfs/dbraw/zinc/52/92/04/1014529204.db2.gz BQCHUMFNXPTERX-ROUUACIJSA-N 1 3 367.484 2.846 20 0 FFADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076465521 979541297 /nfs/dbraw/zinc/54/12/97/979541297.db2.gz JGAOXGKJGCNZFU-DFQSSKMNSA-N 1 3 371.500 2.905 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3ocnc3C)CC2)CC[N@@H+]1C ZINC000963344324 1014596239 /nfs/dbraw/zinc/59/62/39/1014596239.db2.gz MWWAKMWUVLIODC-ZGUYJTEBSA-N 1 3 362.518 2.573 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3ocnc3C)CC2)CC[N@H+]1C ZINC000963344324 1014596248 /nfs/dbraw/zinc/59/62/48/1014596248.db2.gz MWWAKMWUVLIODC-ZGUYJTEBSA-N 1 3 362.518 2.573 20 0 FFADHO c1cc2c(cc1[C@H]1CCCN1C[C@H]1CC3(CO1)CC[NH2+]CC3)OCCO2 ZINC000903717501 980091737 /nfs/dbraw/zinc/09/17/37/980091737.db2.gz BBGBESFIHXFMEK-QZTJIDSGSA-N 1 3 358.482 2.753 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1c[nH]nc1-c1c(F)cccc1F)CC2 ZINC000904391494 980261892 /nfs/dbraw/zinc/26/18/92/980261892.db2.gz HEMFSUKWQGAXBR-AWEZNQCLSA-N 1 3 362.424 2.685 20 0 FFADHO O[C@@H](CCC1(O)CCC1)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000905379009 980431146 /nfs/dbraw/zinc/43/11/46/980431146.db2.gz BCUTWNHSJCKVHO-SFTDATJTSA-N 1 3 372.553 2.934 20 0 FFADHO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877665649 1014668103 /nfs/dbraw/zinc/66/81/03/1014668103.db2.gz CYKGIDJBHXNTLE-DYXWJJEUSA-N 1 3 357.542 2.789 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)C1 ZINC000906339736 980631926 /nfs/dbraw/zinc/63/19/26/980631926.db2.gz DZSXPGQREAJSKJ-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)C1 ZINC000906339736 980631931 /nfs/dbraw/zinc/63/19/31/980631931.db2.gz DZSXPGQREAJSKJ-IBGZPJMESA-N 1 3 373.541 2.898 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000126048383 981183089 /nfs/dbraw/zinc/18/30/89/981183089.db2.gz HITYNTZPICQELE-POAQFYNOSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000126048383 981183095 /nfs/dbraw/zinc/18/30/95/981183095.db2.gz HITYNTZPICQELE-POAQFYNOSA-N 1 3 361.505 2.836 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666662687 981192606 /nfs/dbraw/zinc/19/26/06/981192606.db2.gz FIGXELLJKZJDHE-QGZVFWFLSA-N 1 3 362.518 2.760 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666662687 981192607 /nfs/dbraw/zinc/19/26/07/981192607.db2.gz FIGXELLJKZJDHE-QGZVFWFLSA-N 1 3 362.518 2.760 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(COC)cc3)[C@@H]2C)CC[N@@H+]1C ZINC001088579711 981291344 /nfs/dbraw/zinc/29/13/44/981291344.db2.gz YEGREEAYYRFGAR-MBPVOVBZSA-N 1 3 373.541 2.642 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(COC)cc3)[C@@H]2C)CC[N@H+]1C ZINC001088579711 981291348 /nfs/dbraw/zinc/29/13/48/981291348.db2.gz YEGREEAYYRFGAR-MBPVOVBZSA-N 1 3 373.541 2.642 20 0 FFADHO c1cc2n(n1)C[C@H](C[NH2+]C[C@H]1CN(Cc3ccccc3)CC13CCC3)CN2 ZINC000668713417 981501862 /nfs/dbraw/zinc/50/18/62/981501862.db2.gz PCRMPHZVFHOPBW-UXHICEINSA-N 1 3 365.525 2.817 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2cc(F)ccc2F)CC[N@@H+]1C ZINC001482834871 981558936 /nfs/dbraw/zinc/55/89/36/981558936.db2.gz RIPKJKYHNIDVTF-RPVQJOFSSA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2cc(F)ccc2F)CC[N@H+]1C ZINC001482834871 981558941 /nfs/dbraw/zinc/55/89/41/981558941.db2.gz RIPKJKYHNIDVTF-RPVQJOFSSA-N 1 3 353.457 2.680 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000650758096 1014766339 /nfs/dbraw/zinc/76/63/39/1014766339.db2.gz IUXIPJUUZMXJLR-INIZCTEOSA-N 1 3 373.522 2.797 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659236 1014827263 /nfs/dbraw/zinc/82/72/63/1014827263.db2.gz DVOHQKJONWFJSH-YSIASYRMSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](O)C1CCN(CC(C[NH+]2CCC([C@H](C)O)CC2)C2CCCC2)CC1 ZINC000878096421 1014858961 /nfs/dbraw/zinc/85/89/61/1014858961.db2.gz QXBTZXIQLFWAGV-ROUUACIJSA-N 1 3 366.590 2.978 20 0 FFADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC001219274241 1033581389 /nfs/dbraw/zinc/58/13/89/1033581389.db2.gz WVGLBFJBIFWIPT-SECBINFHSA-N 1 3 359.270 2.609 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1-c1ccncc1 ZINC000912303487 984005870 /nfs/dbraw/zinc/00/58/70/984005870.db2.gz JNVXCNKEASULBF-KRWDZBQOSA-N 1 3 354.498 2.750 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1-c1ccncc1 ZINC000912303487 984005878 /nfs/dbraw/zinc/00/58/78/984005878.db2.gz JNVXCNKEASULBF-KRWDZBQOSA-N 1 3 354.498 2.750 20 0 FFADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000912585205 984069463 /nfs/dbraw/zinc/06/94/63/984069463.db2.gz ZMIHHHAWBMYENC-UHFFFAOYSA-N 1 3 372.513 2.504 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646064943 984413754 /nfs/dbraw/zinc/41/37/54/984413754.db2.gz RNBCDYHVQCLCPA-DZFGPLHGSA-N 1 3 355.526 2.745 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCOC)CC2 ZINC001107426991 984527875 /nfs/dbraw/zinc/52/78/75/984527875.db2.gz YCJQBJWEGITPNQ-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCOC)CC2 ZINC001107426991 984527879 /nfs/dbraw/zinc/52/78/79/984527879.db2.gz YCJQBJWEGITPNQ-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)[C@@H](C1CC1)N1CCCC1 ZINC001107485049 984588294 /nfs/dbraw/zinc/58/82/94/984588294.db2.gz HBDDKBITIJOQDO-QWFCFKBJSA-N 1 3 351.510 2.581 20 0 FFADHO O=C(NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)[C@@H](C1CC1)N1CCCC1 ZINC001107485049 984588297 /nfs/dbraw/zinc/58/82/97/984588297.db2.gz HBDDKBITIJOQDO-QWFCFKBJSA-N 1 3 351.510 2.581 20 0 FFADHO CC(C)OCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495215 984596865 /nfs/dbraw/zinc/59/68/65/984596865.db2.gz KJLVTPRJFHBSTL-WIYYLYMNSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)OCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495215 984596866 /nfs/dbraw/zinc/59/68/66/984596866.db2.gz KJLVTPRJFHBSTL-WIYYLYMNSA-N 1 3 365.562 2.647 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495913 984598149 /nfs/dbraw/zinc/59/81/49/984598149.db2.gz YVAXFRXGTGIHKF-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO CCOCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495913 984598151 /nfs/dbraw/zinc/59/81/51/984598151.db2.gz YVAXFRXGTGIHKF-WIYYLYMNSA-N 1 3 365.562 2.648 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112110620 984644340 /nfs/dbraw/zinc/64/43/40/984644340.db2.gz YJBGZYGGKWHWSW-BZUAXINKSA-N 1 3 361.452 2.806 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112110620 984644345 /nfs/dbraw/zinc/64/43/45/984644345.db2.gz YJBGZYGGKWHWSW-BZUAXINKSA-N 1 3 361.452 2.806 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483633 984651912 /nfs/dbraw/zinc/65/19/12/984651912.db2.gz FYLYRBQERCXYOT-XLIONFOSSA-N 1 3 358.530 2.982 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1scnc1C)CC2 ZINC001107614404 984825598 /nfs/dbraw/zinc/82/55/98/984825598.db2.gz AITJJPPPEQKPOP-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1scnc1C)CC2 ZINC001107614404 984825619 /nfs/dbraw/zinc/82/56/19/984825619.db2.gz AITJJPPPEQKPOP-IEBWSBKVSA-N 1 3 364.559 2.654 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C3CC3)C2)CC[N@@H+]1C ZINC001007370448 1015206109 /nfs/dbraw/zinc/20/61/09/1015206109.db2.gz ADBPXRJFHBHULC-LSTHTHJFSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C3CC3)C2)CC[N@H+]1C ZINC001007370448 1015206113 /nfs/dbraw/zinc/20/61/13/1015206113.db2.gz ADBPXRJFHBHULC-LSTHTHJFSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCF)C1)N1CCCCCC1 ZINC001112540324 986437742 /nfs/dbraw/zinc/43/77/42/986437742.db2.gz QIZLNBWWIRAHKJ-BJLQDIEVSA-N 1 3 353.526 2.829 20 0 FFADHO C[C@@H](C(=O)NCc1ccco1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001116457751 986715112 /nfs/dbraw/zinc/71/51/12/986715112.db2.gz MCLOUBOEMNZJPE-KRWDZBQOSA-N 1 3 370.497 2.918 20 0 FFADHO CC[C@@H](NCC1(C[NH2+][C@@H](CC)[C@H]2CCCCO2)COC1)[C@@H]1CCCCO1 ZINC000653874391 987596023 /nfs/dbraw/zinc/59/60/23/987596023.db2.gz GEPXDSATSJDACQ-JVSBHGNQSA-N 1 3 368.562 2.878 20 0 FFADHO CC[C@@H]([NH2+]CC1(CN[C@@H](CC)[C@H]2CCCCO2)COC1)[C@@H]1CCCCO1 ZINC000653874391 987596027 /nfs/dbraw/zinc/59/60/27/987596027.db2.gz GEPXDSATSJDACQ-JVSBHGNQSA-N 1 3 368.562 2.878 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)[C@H](C)C1 ZINC001106336531 987972683 /nfs/dbraw/zinc/97/26/83/987972683.db2.gz SKHGXFQZFXTHDL-GDBMZVCRSA-N 1 3 367.484 2.879 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[NH+]3CCC(C)CC3)cc2)CC1 ZINC000915320442 988437758 /nfs/dbraw/zinc/43/77/58/988437758.db2.gz YJXUIBOPMARBCB-UHFFFAOYSA-N 1 3 373.545 2.682 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001106666257 988609504 /nfs/dbraw/zinc/60/95/04/988609504.db2.gz ICRKXGKQWAPWTE-MPDIPGFNSA-N 1 3 359.917 2.636 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4ncccc4c3)C2)CC[N@@H+]1C ZINC001033094991 988780500 /nfs/dbraw/zinc/78/05/00/988780500.db2.gz MTLXGOGZKXEPIG-NSISKUIASA-N 1 3 366.509 2.608 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc4ncccc4c3)C2)CC[N@H+]1C ZINC001033094991 988780510 /nfs/dbraw/zinc/78/05/10/988780510.db2.gz MTLXGOGZKXEPIG-NSISKUIASA-N 1 3 366.509 2.608 20 0 FFADHO CC(C)COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729176 988792700 /nfs/dbraw/zinc/79/27/00/988792700.db2.gz LHHOZMWMXVPZEO-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccns2)[C@H](C)C1 ZINC001106775459 989013406 /nfs/dbraw/zinc/01/34/06/989013406.db2.gz HNKBJUGFODTSCE-IAGOWNOFSA-N 1 3 366.575 2.839 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCCCOC)[C@H](C)C1 ZINC001106775439 989016566 /nfs/dbraw/zinc/01/65/66/989016566.db2.gz FRGJTEUOLYFATL-WOJBJXKFSA-N 1 3 369.594 2.999 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCOCC2)[C@H](C)C1 ZINC001106775632 989019838 /nfs/dbraw/zinc/01/98/38/989019838.db2.gz UTMPUYLCLAFRRX-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC001106784295 989044358 /nfs/dbraw/zinc/04/43/58/989044358.db2.gz GBMIJVQFWCEMJJ-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000673769593 989252530 /nfs/dbraw/zinc/25/25/30/989252530.db2.gz BCRMUYXTKGYQKG-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000673769593 989252538 /nfs/dbraw/zinc/25/25/38/989252538.db2.gz BCRMUYXTKGYQKG-NRSPTQNISA-N 1 3 370.541 2.919 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000673778668 989262718 /nfs/dbraw/zinc/26/27/18/989262718.db2.gz DCBRSTOZHKDFQA-UHFFFAOYSA-N 1 3 360.546 2.944 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000673778668 989262729 /nfs/dbraw/zinc/26/27/29/989262729.db2.gz DCBRSTOZHKDFQA-UHFFFAOYSA-N 1 3 360.546 2.944 20 0 FFADHO O=C(CC[NH+]1CCCC1)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001273120949 989461078 /nfs/dbraw/zinc/46/10/78/989461078.db2.gz MZSOIOIQKYIPBY-OAQYLSRUSA-N 1 3 358.530 2.705 20 0 FFADHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)[C@@H]1c1ccccc1 ZINC000652174035 1015486399 /nfs/dbraw/zinc/48/63/99/1015486399.db2.gz FUZFFUXZPSEPIA-OALUTQOASA-N 1 3 356.445 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCc3ccccc3F)CC2)CC[N@@H+]1C ZINC001005407309 989772644 /nfs/dbraw/zinc/77/26/44/989772644.db2.gz PEFRTIHVGUWBCV-VQIMIIECSA-N 1 3 361.505 2.631 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCc3ccccc3F)CC2)CC[N@H+]1C ZINC001005407309 989772648 /nfs/dbraw/zinc/77/26/48/989772648.db2.gz PEFRTIHVGUWBCV-VQIMIIECSA-N 1 3 361.505 2.631 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001034215022 989972372 /nfs/dbraw/zinc/97/23/72/989972372.db2.gz VBUFZEXCFKHZMV-VOQZNFBZSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001034215022 989972377 /nfs/dbraw/zinc/97/23/77/989972377.db2.gz VBUFZEXCFKHZMV-VOQZNFBZSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675103922 990045143 /nfs/dbraw/zinc/04/51/43/990045143.db2.gz IKAQORMWWGXQSK-ABSDTBQOSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362706 1015541371 /nfs/dbraw/zinc/54/13/71/1015541371.db2.gz NEVDJKURRCGICQ-NJYVYQBISA-N 1 3 373.541 2.933 20 0 FFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675577233 990310003 /nfs/dbraw/zinc/31/00/03/990310003.db2.gz IWFFUMSOEYTIHY-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000918122907 990340050 /nfs/dbraw/zinc/34/00/50/990340050.db2.gz VVAOVCCMWROCLX-RXVVDRJESA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000652424245 1015560806 /nfs/dbraw/zinc/56/08/06/1015560806.db2.gz WOAQEZVHJGNCQK-RBUKOAKNSA-N 1 3 372.557 2.880 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000675937860 990425099 /nfs/dbraw/zinc/42/50/99/990425099.db2.gz GCEOYDUQOWGDSK-HOJAQTOUSA-N 1 3 365.562 2.504 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000675937860 990425102 /nfs/dbraw/zinc/42/51/02/990425102.db2.gz GCEOYDUQOWGDSK-HOJAQTOUSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CN1C1CC1 ZINC000130397123 990532714 /nfs/dbraw/zinc/53/27/14/990532714.db2.gz BLRGQHKNJWPPOF-YDZRNGNQSA-N 1 3 362.562 2.908 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CN1C1CC1 ZINC000130397123 990532720 /nfs/dbraw/zinc/53/27/20/990532720.db2.gz BLRGQHKNJWPPOF-YDZRNGNQSA-N 1 3 362.562 2.908 20 0 FFADHO O=C(CN1CC[C@H]2CSC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000879560585 1015587573 /nfs/dbraw/zinc/58/75/73/1015587573.db2.gz XUIGAHPXTKPVTH-VQTJNVASSA-N 1 3 373.566 2.584 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCCc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001031684457 990967742 /nfs/dbraw/zinc/96/77/42/990967742.db2.gz OJUNYQUKENCAAT-VQTJNVASSA-N 1 3 361.505 2.537 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCCc3cccc(F)c3)C2)CC[N@H+]1C ZINC001031684457 990967749 /nfs/dbraw/zinc/96/77/49/990967749.db2.gz OJUNYQUKENCAAT-VQTJNVASSA-N 1 3 361.505 2.537 20 0 FFADHO Fc1ccc(CN(CCc2ccccn2)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923322853 991067853 /nfs/dbraw/zinc/06/78/53/991067853.db2.gz AUYWUOYUJSYCOB-HXUWFJFHSA-N 1 3 355.457 2.644 20 0 FFADHO O=c1cc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)nc2ccc(Cl)cn12 ZINC000923503084 991188384 /nfs/dbraw/zinc/18/83/84/991188384.db2.gz GEPVBZRTZJFBBX-HNNXBMFYSA-N 1 3 374.916 2.950 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC001106910677 991524951 /nfs/dbraw/zinc/52/49/51/991524951.db2.gz JQTPSLHOEJHSCN-HZPDHXFCSA-N 1 3 367.484 2.533 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC001106910749 991529665 /nfs/dbraw/zinc/52/96/65/991529665.db2.gz NAWWKSDHHSWJEJ-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO C[C@H](CCN1CCC[C@H](c2ncc[nH]2)C1)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269332625 992054773 /nfs/dbraw/zinc/05/47/73/992054773.db2.gz SJLRMAMJZFSRGQ-SQNIBIBYSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CCN1CCC[C@H](c2ncc[nH]2)C1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269332625 992054781 /nfs/dbraw/zinc/05/47/81/992054781.db2.gz SJLRMAMJZFSRGQ-SQNIBIBYSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000269332625 992054791 /nfs/dbraw/zinc/05/47/91/992054791.db2.gz SJLRMAMJZFSRGQ-SQNIBIBYSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000269332625 992054803 /nfs/dbraw/zinc/05/48/03/992054803.db2.gz SJLRMAMJZFSRGQ-SQNIBIBYSA-N 1 3 356.518 2.970 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C ZINC001079806599 992460886 /nfs/dbraw/zinc/46/08/86/992460886.db2.gz OBPCAUSWKXWNSD-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C ZINC001079806599 992460888 /nfs/dbraw/zinc/46/08/88/992460888.db2.gz OBPCAUSWKXWNSD-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000414727086 992708418 /nfs/dbraw/zinc/70/84/18/992708418.db2.gz ADVLHLXKEOMNIX-IRXDYDNUSA-N 1 3 359.518 2.528 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188762 992807219 /nfs/dbraw/zinc/80/72/19/992807219.db2.gz RWAFCTZAZGOBST-STZQEDGTSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188762 992807227 /nfs/dbraw/zinc/80/72/27/992807227.db2.gz RWAFCTZAZGOBST-STZQEDGTSA-N 1 3 369.553 2.930 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001080441232 993059700 /nfs/dbraw/zinc/05/97/00/993059700.db2.gz FWOJJGUMACERNR-MDYRTPRTSA-N 1 3 353.526 2.826 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001080441232 993059707 /nfs/dbraw/zinc/05/97/07/993059707.db2.gz FWOJJGUMACERNR-MDYRTPRTSA-N 1 3 353.526 2.826 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001107042720 993296458 /nfs/dbraw/zinc/29/64/58/993296458.db2.gz ZKFUTYYKQAHUKL-WIYYLYMNSA-N 1 3 359.558 2.816 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2Cl)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783630 993350046 /nfs/dbraw/zinc/35/00/46/993350046.db2.gz YJJJGCAMUDEKAF-GPMSIDNRSA-N 1 3 363.933 2.661 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2Cl)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783630 993350052 /nfs/dbraw/zinc/35/00/52/993350052.db2.gz YJJJGCAMUDEKAF-GPMSIDNRSA-N 1 3 363.933 2.661 20 0 FFADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786486 993372389 /nfs/dbraw/zinc/37/23/89/993372389.db2.gz NAFHWOSXMYQNFM-ATZDWAIDSA-N 1 3 359.489 2.809 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H](OC)C1 ZINC001081799185 993975948 /nfs/dbraw/zinc/97/59/48/993975948.db2.gz GQZTXWPHIDPIMQ-VAMGGRTRSA-N 1 3 365.562 2.645 20 0 FFADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H](OC)C1 ZINC001081799185 993975958 /nfs/dbraw/zinc/97/59/58/993975958.db2.gz GQZTXWPHIDPIMQ-VAMGGRTRSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCCN1CC(C)C ZINC001081885067 994005599 /nfs/dbraw/zinc/00/55/99/994005599.db2.gz YQXBSPOYYMUBIK-HSALFYBXSA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCCN1CC(C)C ZINC001081885067 994005602 /nfs/dbraw/zinc/00/56/02/994005602.db2.gz YQXBSPOYYMUBIK-HSALFYBXSA-N 1 3 365.562 2.503 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608686 994455159 /nfs/dbraw/zinc/45/51/59/994455159.db2.gz LCSIPUJTPMSDCJ-BOXUBARPSA-N 1 3 365.562 2.669 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1NCc1cccnc1 ZINC001082513709 994831107 /nfs/dbraw/zinc/83/11/07/994831107.db2.gz ZRGAXJYYBKRFLS-SLYNCCJLSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1NCc1cccnc1 ZINC001082513709 994831113 /nfs/dbraw/zinc/83/11/13/994831113.db2.gz ZRGAXJYYBKRFLS-SLYNCCJLSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1cccc(Cl)c1F ZINC001082559609 994933672 /nfs/dbraw/zinc/93/36/72/994933672.db2.gz KIIDVCPJBGQOLO-XHBKTUGNSA-N 1 3 367.896 2.756 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC001082559955 994936553 /nfs/dbraw/zinc/93/65/53/994936553.db2.gz UKILRMPROWWRKV-LPTQZCDUSA-N 1 3 366.509 2.512 20 0 FFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001082561698 994944182 /nfs/dbraw/zinc/94/41/82/994944182.db2.gz KZKSQURMPILXSK-DYESRHJHSA-N 1 3 357.542 2.712 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001082562225 994946229 /nfs/dbraw/zinc/94/62/29/994946229.db2.gz YLLTYZOSQRHZGU-FZKQIMNGSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccc(Cl)nc1 ZINC001082570152 994966829 /nfs/dbraw/zinc/96/68/29/994966829.db2.gz AIFWXGPESFVRNF-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCc1ccc(Cl)nc1 ZINC001082570152 994966837 /nfs/dbraw/zinc/96/68/37/994966837.db2.gz AIFWXGPESFVRNF-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C)c1 ZINC001082570640 994967303 /nfs/dbraw/zinc/96/73/03/994967303.db2.gz TYBPHZOKAZPCQS-YVWKXTFCSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C)c1 ZINC001082570640 994967314 /nfs/dbraw/zinc/96/73/14/994967314.db2.gz TYBPHZOKAZPCQS-YVWKXTFCSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c(C)s1 ZINC001082576102 994972160 /nfs/dbraw/zinc/97/21/60/994972160.db2.gz PJHXYGFIQTYCOY-XWIAVFTESA-N 1 3 351.560 2.888 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC001082575153 994996387 /nfs/dbraw/zinc/99/63/87/994996387.db2.gz NSYMHTRYVOSXTK-HBGVWJBISA-N 1 3 357.542 2.698 20 0 FFADHO Cc1ccnc(-c2noc(CC3CCN(C[C@@H]4C[NH2+]C[C@H]4C)CC3)n2)c1 ZINC000903482408 1015923521 /nfs/dbraw/zinc/92/35/21/1015923521.db2.gz GPGMHSPHKCHUNU-WBVHZDCISA-N 1 3 355.486 2.550 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2Cl)C1)N(C)C ZINC001082724814 995361008 /nfs/dbraw/zinc/36/10/08/995361008.db2.gz LVJXJXFEKCCDIF-ATZDWAIDSA-N 1 3 365.949 2.905 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082861855 995666690 /nfs/dbraw/zinc/66/66/90/995666690.db2.gz QUKBPPVJDDBXHH-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082861855 995666693 /nfs/dbraw/zinc/66/66/93/995666693.db2.gz QUKBPPVJDDBXHH-HBUWYVDXSA-N 1 3 367.896 2.757 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001082940739 995865681 /nfs/dbraw/zinc/86/56/81/995865681.db2.gz PBCUHRKEDFDAQD-DYESRHJHSA-N 1 3 366.509 2.702 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001082943592 995881054 /nfs/dbraw/zinc/88/10/54/995881054.db2.gz QOTSVPKJOGOZLL-AHRSYUTCSA-N 1 3 361.505 2.945 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001082943333 995881111 /nfs/dbraw/zinc/88/11/11/995881111.db2.gz DUTPPDJVUFBHJU-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2cccnc2C)CC[N@@H+]1C ZINC001049479582 1016003436 /nfs/dbraw/zinc/00/34/36/1016003436.db2.gz AWZPDITYFOTBSB-JSXRDJHFSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2cccnc2C)CC[N@H+]1C ZINC001049479582 1016003448 /nfs/dbraw/zinc/00/34/48/1016003448.db2.gz AWZPDITYFOTBSB-JSXRDJHFSA-N 1 3 370.541 2.686 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000844223800 997714009 /nfs/dbraw/zinc/71/40/09/997714009.db2.gz CHGDAPFCQGYDEM-OKZBNKHCSA-N 1 3 356.514 2.545 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844224499 997716046 /nfs/dbraw/zinc/71/60/46/997716046.db2.gz GBYCKIIJJYCGBD-MSOLQXFVSA-N 1 3 356.514 2.547 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001084953542 998301412 /nfs/dbraw/zinc/30/14/12/998301412.db2.gz STGKALYFGWYYNN-NJYVYQBISA-N 1 3 355.526 2.984 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001084953542 998301427 /nfs/dbraw/zinc/30/14/27/998301427.db2.gz STGKALYFGWYYNN-NJYVYQBISA-N 1 3 355.526 2.984 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962643 998373108 /nfs/dbraw/zinc/37/31/08/998373108.db2.gz ZQHUOHHMBGYFMY-SBHAEUEKSA-N 1 3 370.541 2.687 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962643 998373113 /nfs/dbraw/zinc/37/31/13/998373113.db2.gz ZQHUOHHMBGYFMY-SBHAEUEKSA-N 1 3 370.541 2.687 20 0 FFADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC1 ZINC001085049807 998783405 /nfs/dbraw/zinc/78/34/05/998783405.db2.gz AJJPHCIFNBOUQO-MOPGFXCFSA-N 1 3 361.555 2.903 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCCN(c3ccc(OC(F)F)cc3)C1=O)C2 ZINC000903843916 1016254606 /nfs/dbraw/zinc/25/46/06/1016254606.db2.gz WTFXGYNCOIRFKP-YXPYIKCWSA-N 1 3 365.424 2.595 20 0 FFADHO CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000903879702 1016282508 /nfs/dbraw/zinc/28/25/08/1016282508.db2.gz HRRAYRGDNQYVPW-AEFFLSMTSA-N 1 3 357.502 2.664 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085255081 999269773 /nfs/dbraw/zinc/26/97/73/999269773.db2.gz MONZSIAPTLRHLG-GUDVDZBRSA-N 1 3 362.518 2.620 20 0 FFADHO Cc1nocc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085255081 999269777 /nfs/dbraw/zinc/26/97/77/999269777.db2.gz MONZSIAPTLRHLG-GUDVDZBRSA-N 1 3 362.518 2.620 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1)N1CCCC1 ZINC001085295599 999312731 /nfs/dbraw/zinc/31/27/31/999312731.db2.gz OWOQNQFJKFXDBZ-RTBURBONSA-N 1 3 365.562 2.695 20 0 FFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)N2CCCC2)sn1 ZINC001085295587 999312949 /nfs/dbraw/zinc/31/29/49/999312949.db2.gz OKOAPQAFKIGQPS-IAGOWNOFSA-N 1 3 364.559 2.843 20 0 FFADHO CN(C)Cc1ccoc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC001085313319 999343189 /nfs/dbraw/zinc/34/31/89/999343189.db2.gz SADHVPHTIIBNBV-HUUCEWRRSA-N 1 3 362.499 2.629 20 0 FFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001085332673 999379289 /nfs/dbraw/zinc/37/92/89/999379289.db2.gz IALSCHOSSJIGLN-USXIJHARSA-N 1 3 364.921 2.594 20 0 FFADHO O=C(N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1F)C12CC[NH+](CC1)C2 ZINC001085395454 999452207 /nfs/dbraw/zinc/45/22/07/999452207.db2.gz MPYHQVKGELZBSZ-IAGOWNOFSA-N 1 3 363.452 2.578 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2OC2CC2)C1 ZINC001085422530 999497025 /nfs/dbraw/zinc/49/70/25/999497025.db2.gz WIVPPZMTUDIAAF-DFQSSKMNSA-N 1 3 371.525 2.697 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2OC2CC2)C1 ZINC001085422530 999497028 /nfs/dbraw/zinc/49/70/28/999497028.db2.gz WIVPPZMTUDIAAF-DFQSSKMNSA-N 1 3 371.525 2.697 20 0 FFADHO C[N@H+](CC(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21)C1CCCC1 ZINC001273339968 999559127 /nfs/dbraw/zinc/55/91/27/999559127.db2.gz ZLLBNIXBJNBBQL-GOEBONIOSA-N 1 3 361.452 2.736 20 0 FFADHO C[N@@H+](CC(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21)C1CCCC1 ZINC001273339968 999559131 /nfs/dbraw/zinc/55/91/31/999559131.db2.gz ZLLBNIXBJNBBQL-GOEBONIOSA-N 1 3 361.452 2.736 20 0 FFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)cnn1C ZINC000903987585 1016362044 /nfs/dbraw/zinc/36/20/44/1016362044.db2.gz HMJLSLSIMJNLMC-JKSUJKDBSA-N 1 3 373.570 2.671 20 0 FFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1)C2 ZINC001169100033 1000020659 /nfs/dbraw/zinc/02/06/59/1000020659.db2.gz ZTJGXJCTAGZPFT-ZQDZILKHSA-N 1 3 359.461 2.846 20 0 FFADHO CCOC(=O)N1CCC[C@@H]([NH+]2CCC(N(CC)[C@@H]3CCOC3)CC2)CC1 ZINC001169703633 1000070607 /nfs/dbraw/zinc/07/06/07/1000070607.db2.gz NVEXKDOPLNYKPM-IEBWSBKVSA-N 1 3 367.534 2.573 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000769304766 1000489838 /nfs/dbraw/zinc/48/98/38/1000489838.db2.gz DYNHVTCVJPJLFW-HXUWFJFHSA-N 1 3 373.541 2.804 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000769304766 1000489842 /nfs/dbraw/zinc/48/98/42/1000489842.db2.gz DYNHVTCVJPJLFW-HXUWFJFHSA-N 1 3 373.541 2.804 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471842 1000528832 /nfs/dbraw/zinc/52/88/32/1000528832.db2.gz MCJLABIXGXKXHK-QYZOEREBSA-N 1 3 365.562 2.788 20 0 FFADHO COCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471842 1000528836 /nfs/dbraw/zinc/52/88/36/1000528836.db2.gz MCJLABIXGXKXHK-QYZOEREBSA-N 1 3 365.562 2.788 20 0 FFADHO Cc1cc(C)c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc2n1 ZINC001146982665 1000800541 /nfs/dbraw/zinc/80/05/41/1000800541.db2.gz WUPQFCGRWWRHDT-HNNXBMFYSA-N 1 3 362.543 2.915 20 0 FFADHO Cc1cc(C)c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc2n1 ZINC001146982665 1000800547 /nfs/dbraw/zinc/80/05/47/1000800547.db2.gz WUPQFCGRWWRHDT-HNNXBMFYSA-N 1 3 362.543 2.915 20 0 FFADHO Cc1ccc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C3)cc1 ZINC001109687131 1000849225 /nfs/dbraw/zinc/84/92/25/1000849225.db2.gz USYRWPHZRMCGED-IVAOSVALSA-N 1 3 357.542 2.845 20 0 FFADHO Cc1ccc(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C3)cc1 ZINC001109687131 1000849232 /nfs/dbraw/zinc/84/92/32/1000849232.db2.gz USYRWPHZRMCGED-IVAOSVALSA-N 1 3 357.542 2.845 20 0 FFADHO NC(=[NH2+])Nc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001148651579 1001180306 /nfs/dbraw/zinc/18/03/06/1001180306.db2.gz IYHPCVXECRFIMS-SFHVURJKSA-N 1 3 351.454 2.559 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001091736837 1001181433 /nfs/dbraw/zinc/18/14/33/1001181433.db2.gz FKKUXQSOALCHIX-SJBKTWHCSA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@]2(C)C1 ZINC001091736837 1001181438 /nfs/dbraw/zinc/18/14/38/1001181438.db2.gz FKKUXQSOALCHIX-SJBKTWHCSA-N 1 3 370.541 2.625 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2F)C1 ZINC001112548673 1001458286 /nfs/dbraw/zinc/45/82/86/1001458286.db2.gz LLQAIAQDXYTXFJ-RXVVDRJESA-N 1 3 361.505 2.886 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785712246 1001476648 /nfs/dbraw/zinc/47/66/48/1001476648.db2.gz HGNZQYCFMKPNSE-OAQYLSRUSA-N 1 3 374.525 2.922 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785712246 1001476654 /nfs/dbraw/zinc/47/66/54/1001476654.db2.gz HGNZQYCFMKPNSE-OAQYLSRUSA-N 1 3 374.525 2.922 20 0 FFADHO CCOCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112585600 1001536107 /nfs/dbraw/zinc/53/61/07/1001536107.db2.gz HNVDABVRIHLPCJ-ZVDOUQERSA-N 1 3 365.562 2.506 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](C)CC3(C)C)cc2)CC1 ZINC000746675059 1001683323 /nfs/dbraw/zinc/68/33/23/1001683323.db2.gz KOXGWMUXSRLNBL-KRWDZBQOSA-N 1 3 358.530 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H](C)CC3(C)C)cc2)CC1 ZINC000746675059 1001683326 /nfs/dbraw/zinc/68/33/26/1001683326.db2.gz KOXGWMUXSRLNBL-KRWDZBQOSA-N 1 3 358.530 2.887 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788646846 1001833401 /nfs/dbraw/zinc/83/34/01/1001833401.db2.gz SUKVVPBQHGOSLZ-IXDOHACOSA-N 1 3 369.550 2.721 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1)N(C)C ZINC001091782733 1001909181 /nfs/dbraw/zinc/90/91/81/1001909181.db2.gz BHTVYBADKKXTLT-LMMKCTJWSA-N 1 3 371.516 2.932 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@]2(C)C1)N(C)C ZINC001091782733 1001909186 /nfs/dbraw/zinc/90/91/86/1001909186.db2.gz BHTVYBADKKXTLT-LMMKCTJWSA-N 1 3 371.516 2.932 20 0 FFADHO C[C@@]12CN(Cc3ccccc3F)C[C@@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001091818672 1001959439 /nfs/dbraw/zinc/95/94/39/1001959439.db2.gz JOQLZUKCQIXNFG-NQIIRXRSSA-N 1 3 371.500 2.734 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@]3(C)C2)cc1 ZINC001092010958 1002279929 /nfs/dbraw/zinc/27/99/29/1002279929.db2.gz PPIUUBBFIQGEDV-LSWJPFSZSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@H]4C)C[C@]3(C)C2)cc1 ZINC001092010958 1002279931 /nfs/dbraw/zinc/27/99/31/1002279931.db2.gz PPIUUBBFIQGEDV-LSWJPFSZSA-N 1 3 369.553 2.802 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@@]2(C)C1)N(C)C ZINC001092022335 1002301926 /nfs/dbraw/zinc/30/19/26/1002301926.db2.gz SUGLYZHFYIFREJ-LMNJBCLMSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@@]2(C)C1)N(C)C ZINC001092022335 1002301932 /nfs/dbraw/zinc/30/19/32/1002301932.db2.gz SUGLYZHFYIFREJ-LMNJBCLMSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1cccc([C@H](C)[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092050233 1002321749 /nfs/dbraw/zinc/32/17/49/1002321749.db2.gz OQDZAZPJXNSUJU-CDXJDZJCSA-N 1 3 352.482 2.802 20 0 FFADHO Cc1cccc([C@H](C)[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)c1 ZINC001092050233 1002321761 /nfs/dbraw/zinc/32/17/61/1002321761.db2.gz OQDZAZPJXNSUJU-CDXJDZJCSA-N 1 3 352.482 2.802 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC001092071386 1002370055 /nfs/dbraw/zinc/37/00/55/1002370055.db2.gz TZJKLVIENZYDIP-FRONVOTGSA-N 1 3 353.938 2.782 20 0 FFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC001092071386 1002370067 /nfs/dbraw/zinc/37/00/67/1002370067.db2.gz TZJKLVIENZYDIP-FRONVOTGSA-N 1 3 353.938 2.782 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC001184451190 1002619745 /nfs/dbraw/zinc/61/97/45/1002619745.db2.gz OFTMKRMJSSVTGK-YLJYHZDGSA-N 1 3 351.494 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC001184451190 1002619756 /nfs/dbraw/zinc/61/97/56/1002619756.db2.gz OFTMKRMJSSVTGK-YLJYHZDGSA-N 1 3 351.494 2.822 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CN(C/C=C/Cl)C[C@@]3(C)C2)c1 ZINC001092298122 1002623240 /nfs/dbraw/zinc/62/32/40/1002623240.db2.gz OFLMJVJXMSBIJY-GYAHQXATSA-N 1 3 361.917 2.895 20 0 FFADHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607390 1002994707 /nfs/dbraw/zinc/99/47/07/1002994707.db2.gz YUHFBFBKAJTRSZ-LEWJYISDSA-N 1 3 355.526 2.879 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001186196999 1003218391 /nfs/dbraw/zinc/21/83/91/1003218391.db2.gz ZSBQNTIROAZDDM-YVWKXTFCSA-N 1 3 361.505 2.709 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001186196999 1003218397 /nfs/dbraw/zinc/21/83/97/1003218397.db2.gz ZSBQNTIROAZDDM-YVWKXTFCSA-N 1 3 361.505 2.709 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3Cl)C[C@H]2C)CC[N@@H+]1C ZINC001092620436 1003318868 /nfs/dbraw/zinc/31/88/68/1003318868.db2.gz HWKSWWAYBBQFGI-JOCBIADPSA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3Cl)C[C@H]2C)CC[N@H+]1C ZINC001092620436 1003318877 /nfs/dbraw/zinc/31/88/77/1003318877.db2.gz HWKSWWAYBBQFGI-JOCBIADPSA-N 1 3 363.933 2.864 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC001092658515 1003363756 /nfs/dbraw/zinc/36/37/56/1003363756.db2.gz YDVSOUKZCBVJCZ-HMXCVIKNSA-N 1 3 357.542 2.788 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C ZINC001092658515 1003363764 /nfs/dbraw/zinc/36/37/64/1003363764.db2.gz YDVSOUKZCBVJCZ-HMXCVIKNSA-N 1 3 357.542 2.788 20 0 FFADHO CC(C)c1cc(Br)cc(C(=O)N(CCCC[NH3+])C(=N)N)c1 ZINC001196009914 1003633827 /nfs/dbraw/zinc/63/38/27/1003633827.db2.gz FNVYVXCVLZAPAF-UHFFFAOYSA-N 1 3 355.280 2.647 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N(C)CCN(C)Cc1ccccc1 ZINC001196681755 1003896761 /nfs/dbraw/zinc/89/67/61/1003896761.db2.gz HZWACPRRFXCNLV-UHFFFAOYSA-N 1 3 350.576 2.657 20 0 FFADHO CC[NH+](CC)CCCNC(=S)N1CCCN(Cc2ccccc2)CC1 ZINC001196673927 1003913451 /nfs/dbraw/zinc/91/34/51/1003913451.db2.gz RDIBXXBDPWQXOD-UHFFFAOYSA-N 1 3 362.587 2.801 20 0 FFADHO Cc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)[n+]([O-])c1 ZINC001170528793 1004641100 /nfs/dbraw/zinc/64/11/00/1004641100.db2.gz SEJJIYYACREJPO-UHFFFAOYSA-N 1 3 350.466 2.538 20 0 FFADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1)N1CCCC1 ZINC001488947412 1005383857 /nfs/dbraw/zinc/38/38/57/1005383857.db2.gz WIAHYLZILOEIMY-IPMKNSEASA-N 1 3 365.562 2.695 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnc(Cl)s3)C2)C1 ZINC001488954558 1005385546 /nfs/dbraw/zinc/38/55/46/1005385546.db2.gz KACIMAMYYWOEQB-HZSPNIEDSA-N 1 3 370.950 2.513 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC001086712076 1005958487 /nfs/dbraw/zinc/95/84/87/1005958487.db2.gz OKSFWKPTCWCTDI-GVDBMIGSSA-N 1 3 364.559 2.700 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC001086712076 1005958491 /nfs/dbraw/zinc/95/84/91/1005958491.db2.gz OKSFWKPTCWCTDI-GVDBMIGSSA-N 1 3 364.559 2.700 20 0 FFADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001187278822 1005996935 /nfs/dbraw/zinc/99/69/35/1005996935.db2.gz BJJJFFDNPFERHM-UHFFFAOYSA-N 1 3 369.513 2.510 20 0 FFADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000813861338 1006059335 /nfs/dbraw/zinc/05/93/35/1006059335.db2.gz QXSYVMHDTKESSI-OXJNMPFZSA-N 1 3 359.514 2.682 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21)N(CC)CC ZINC001189110884 1006888978 /nfs/dbraw/zinc/88/89/78/1006888978.db2.gz VQNTWFSJEFOBED-PWRODBHTSA-N 1 3 357.542 2.882 20 0 FFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21)N(CC)CC ZINC001189110884 1006888991 /nfs/dbraw/zinc/88/89/91/1006888991.db2.gz VQNTWFSJEFOBED-PWRODBHTSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@]1(C[NH3+])CCCN(Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC001206311104 1032221179 /nfs/dbraw/zinc/22/11/79/1032221179.db2.gz IUSHYMLACQYNSQ-INIZCTEOSA-N 1 3 358.939 2.584 20 0 FFADHO CCc1nc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001170871744 1007633427 /nfs/dbraw/zinc/63/34/27/1007633427.db2.gz SAWLHTXARAUHAJ-ZMSDIMECSA-N 1 3 366.575 2.810 20 0 FFADHO CCc1nc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001170871744 1007633431 /nfs/dbraw/zinc/63/34/31/1007633431.db2.gz SAWLHTXARAUHAJ-ZMSDIMECSA-N 1 3 366.575 2.810 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000817970695 1007835481 /nfs/dbraw/zinc/83/54/81/1007835481.db2.gz CLCNEZZKROXXIQ-ZACQAIPSSA-N 1 3 357.498 2.962 20 0 FFADHO COc1ccc([C@H](C)NC[C@H]2C[NH2+]CCCO2)cc1CN1CCCCC1 ZINC000817980315 1007838027 /nfs/dbraw/zinc/83/80/27/1007838027.db2.gz AEXCXBGVPSWTAK-FXAWDEMLSA-N 1 3 361.530 2.710 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000818537559 1007934387 /nfs/dbraw/zinc/93/43/87/1007934387.db2.gz TWSXJAJYTOZCDC-LJQANCHMSA-N 1 3 373.497 2.832 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819134984 1008039961 /nfs/dbraw/zinc/03/99/61/1008039961.db2.gz QVUFGZVEVHHCME-MBOZVWFJSA-N 1 3 369.550 2.601 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819134984 1008039965 /nfs/dbraw/zinc/03/99/65/1008039965.db2.gz QVUFGZVEVHHCME-MBOZVWFJSA-N 1 3 369.550 2.601 20 0 FFADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(F)cc1 ZINC000819121884 1008048929 /nfs/dbraw/zinc/04/89/29/1008048929.db2.gz PMANQEBOTHFEOJ-NRFANRHFSA-N 1 3 358.457 2.606 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1ccccc1 ZINC000819370929 1008125219 /nfs/dbraw/zinc/12/52/19/1008125219.db2.gz FODIURIPZDVSAC-BHIFYINESA-N 1 3 354.494 2.847 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1ccccc1 ZINC000819370929 1008125227 /nfs/dbraw/zinc/12/52/27/1008125227.db2.gz FODIURIPZDVSAC-BHIFYINESA-N 1 3 354.494 2.847 20 0 FFADHO Nc1ccnc(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000886936570 1008945496 /nfs/dbraw/zinc/94/54/96/1008945496.db2.gz DRRHJUKMXMLHFX-UHFFFAOYSA-N 1 3 369.469 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCCCCNCc2csc(C)n2)CC[N@@H+]1C ZINC001178526994 1009019811 /nfs/dbraw/zinc/01/98/11/1009019811.db2.gz HCEUQWDYEAVKFA-ZWKOTPCHSA-N 1 3 366.575 2.948 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCCCCNCc2csc(C)n2)CC[N@H+]1C ZINC001178526994 1009019823 /nfs/dbraw/zinc/01/98/23/1009019823.db2.gz HCEUQWDYEAVKFA-ZWKOTPCHSA-N 1 3 366.575 2.948 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178591896 1009036139 /nfs/dbraw/zinc/03/61/39/1009036139.db2.gz YQLLLDDIUHRSAC-KRWDZBQOSA-N 1 3 351.494 2.774 20 0 FFADHO OC1(C[NH2+]Cc2cccc3nsnc32)CCN(Cc2ccccc2)CC1 ZINC001178962337 1009207512 /nfs/dbraw/zinc/20/75/12/1009207512.db2.gz GPGWXLULBKMHQP-UHFFFAOYSA-N 1 3 368.506 2.808 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC001180432788 1009676569 /nfs/dbraw/zinc/67/65/69/1009676569.db2.gz YMCSYSSINLHTPM-IVAOSVALSA-N 1 3 357.542 2.990 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC001180432788 1009676574 /nfs/dbraw/zinc/67/65/74/1009676574.db2.gz YMCSYSSINLHTPM-IVAOSVALSA-N 1 3 357.542 2.990 20 0 FFADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862275004 1009778100 /nfs/dbraw/zinc/77/81/00/1009778100.db2.gz IUDRGOWZILKXLN-MAUKXSAKSA-N 1 3 367.534 2.617 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(Nc3ccncc3)cc2)CC[N@@H+]1C ZINC000889391797 1009938094 /nfs/dbraw/zinc/93/80/94/1009938094.db2.gz WMHUOXVRXDUQBC-OXJNMPFZSA-N 1 3 367.497 2.871 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(Nc3ccncc3)cc2)CC[N@H+]1C ZINC000889391797 1009938103 /nfs/dbraw/zinc/93/81/03/1009938103.db2.gz WMHUOXVRXDUQBC-OXJNMPFZSA-N 1 3 367.497 2.871 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)CC34CCC[NH+]3CCC4)cc2)CC1 ZINC001181108376 1009972974 /nfs/dbraw/zinc/97/29/74/1009972974.db2.gz VFAVGLKBGRMMAB-UHFFFAOYSA-N 1 3 370.541 2.781 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1)C(C)C ZINC000889770569 1010105262 /nfs/dbraw/zinc/10/52/62/1010105262.db2.gz UMUSIIHPCJOPKR-SFTDATJTSA-N 1 3 373.541 2.588 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1)C(C)C ZINC000889770569 1010105269 /nfs/dbraw/zinc/10/52/69/1010105269.db2.gz UMUSIIHPCJOPKR-SFTDATJTSA-N 1 3 373.541 2.588 20 0 FFADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001182015322 1010361968 /nfs/dbraw/zinc/36/19/68/1010361968.db2.gz ZWAPSBZVZXIQKL-FQEVSTJZSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001093770454 1010541959 /nfs/dbraw/zinc/54/19/59/1010541959.db2.gz QMJZTIVWQXOMJB-IEBWSBKVSA-N 1 3 358.530 2.530 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1F ZINC001093824132 1010596103 /nfs/dbraw/zinc/59/61/03/1010596103.db2.gz HWYZZIWXIVWOSU-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001093839796 1010610945 /nfs/dbraw/zinc/61/09/45/1010610945.db2.gz ZGNHSNNHGSVRBT-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCC4(CC4)CC3)[C@H](C)C2)C1 ZINC001094042258 1010804458 /nfs/dbraw/zinc/80/44/58/1010804458.db2.gz PMGOUUJSPFINDU-QWFCFKBJSA-N 1 3 361.574 2.983 20 0 FFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001094042278 1010804903 /nfs/dbraw/zinc/80/49/03/1010804903.db2.gz QGIHDHOHWPQCQD-OZOXKJRCSA-N 1 3 357.542 2.829 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3sccc3Cl)[C@H](C)C2)C1 ZINC001094042181 1010805266 /nfs/dbraw/zinc/80/52/66/1010805266.db2.gz MWRZSZSWNONXOL-RRFJBIMHSA-N 1 3 369.962 2.927 20 0 FFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001094044314 1010806914 /nfs/dbraw/zinc/80/69/14/1010806914.db2.gz REIRNEWWCKFIAV-UYAOXDASSA-N 1 3 357.542 2.911 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2Cl)[C@H](C)C1)N(C)C ZINC001094049489 1010808648 /nfs/dbraw/zinc/80/86/48/1010808648.db2.gz WFQRHNNBWDBECL-KYJSFNMBSA-N 1 3 351.922 2.864 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC001094088554 1010848468 /nfs/dbraw/zinc/84/84/68/1010848468.db2.gz ZZDBSKXPWMMXED-IXDOHACOSA-N 1 3 364.559 2.592 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)cs1 ZINC001094240801 1010983175 /nfs/dbraw/zinc/98/31/75/1010983175.db2.gz ARMLJYLKLUPZJQ-NVXWUHKLSA-N 1 3 364.559 2.512 20 0 FFADHO C[C@@H]([NH2+]Cc1ccnc(-n2cncn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000866435885 1010995097 /nfs/dbraw/zinc/99/50/97/1010995097.db2.gz ODRIWOBONJKNOY-XLIONFOSSA-N 1 3 362.481 2.663 20 0 FFADHO CC(C)OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161965 1011323578 /nfs/dbraw/zinc/32/35/78/1011323578.db2.gz ZZRWRXMORZHZRY-FUMNGEBKSA-N 1 3 365.562 2.643 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000645183601 1011376322 /nfs/dbraw/zinc/37/63/22/1011376322.db2.gz HGCYYCYOWWPZKA-WIYYLYMNSA-N 1 3 369.534 2.933 20 0 FFADHO COCC(=O)NC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985067 1011576849 /nfs/dbraw/zinc/57/68/49/1011576849.db2.gz RGMVKLCTGBCGKL-FQEVSTJZSA-N 1 3 373.541 2.657 20 0 FFADHO COCC(=O)NC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171985067 1011576863 /nfs/dbraw/zinc/57/68/63/1011576863.db2.gz RGMVKLCTGBCGKL-FQEVSTJZSA-N 1 3 373.541 2.657 20 0 FFADHO C[C@]1(CO)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1O ZINC001172069248 1011629062 /nfs/dbraw/zinc/62/90/62/1011629062.db2.gz OJCXCVOYHMUTIL-CDJZJNNCSA-N 1 3 358.526 2.637 20 0 FFADHO C[C@]1(CO)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1O ZINC001172069248 1011629068 /nfs/dbraw/zinc/62/90/68/1011629068.db2.gz OJCXCVOYHMUTIL-CDJZJNNCSA-N 1 3 358.526 2.637 20 0 FFADHO Cc1nc(CN2CCC3(CN([C@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C3)C2)cs1 ZINC001172117604 1011652741 /nfs/dbraw/zinc/65/27/41/1011652741.db2.gz QUQPGDZZOKQPJS-BWTSREIZSA-N 1 3 360.571 2.975 20 0 FFADHO Cc1nc(CN2CCC3(CN([C@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C3)C2)cs1 ZINC001172117604 1011652752 /nfs/dbraw/zinc/65/27/52/1011652752.db2.gz QUQPGDZZOKQPJS-BWTSREIZSA-N 1 3 360.571 2.975 20 0 FFADHO C[N@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172181975 1011688692 /nfs/dbraw/zinc/68/86/92/1011688692.db2.gz JFUQLNXJSXGINH-UXHICEINSA-N 1 3 359.489 2.875 20 0 FFADHO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172181975 1011688697 /nfs/dbraw/zinc/68/86/97/1011688697.db2.gz JFUQLNXJSXGINH-UXHICEINSA-N 1 3 359.489 2.875 20 0 FFADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001172749422 1011982328 /nfs/dbraw/zinc/98/23/28/1011982328.db2.gz BJXUEMWEXSKYLC-GOSISDBHSA-N 1 3 361.530 2.644 20 0 FFADHO Cc1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542066 1012021055 /nfs/dbraw/zinc/02/10/55/1012021055.db2.gz GENZHEBCUNMCCD-GOSISDBHSA-N 1 3 358.530 2.854 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)N(C)C ZINC001275189290 1012047345 /nfs/dbraw/zinc/04/73/45/1012047345.db2.gz DEEWJTVWDHCPDI-DKIMLUQUSA-N 1 3 367.484 2.716 20 0 FFADHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2Cc1coc2ccccc12 ZINC001275294900 1012223313 /nfs/dbraw/zinc/22/33/13/1012223313.db2.gz ZHXFMYVWNVEOGI-NRFANRHFSA-N 1 3 355.482 2.951 20 0 FFADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275323756 1012299016 /nfs/dbraw/zinc/29/90/16/1012299016.db2.gz CYGSOZOLQIEGIE-RQGSJKACSA-N 1 3 355.526 2.522 20 0 FFADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001275323756 1012299027 /nfs/dbraw/zinc/29/90/27/1012299027.db2.gz CYGSOZOLQIEGIE-RQGSJKACSA-N 1 3 355.526 2.522 20 0 FFADHO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001173263333 1012378032 /nfs/dbraw/zinc/37/80/32/1012378032.db2.gz HVSRUTBISIWQKU-RLLQIKCJSA-N 1 3 357.542 2.970 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000647508492 1012520500 /nfs/dbraw/zinc/52/05/00/1012520500.db2.gz OTQFIIORUOGXLN-HZPDHXFCSA-N 1 3 372.538 2.816 20 0 FFADHO OCCCCCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796385137 1012558441 /nfs/dbraw/zinc/55/84/41/1012558441.db2.gz RYVKRTGAJSATDK-JOCHJYFZSA-N 1 3 359.558 2.821 20 0 FFADHO OCCCCCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796385137 1012558456 /nfs/dbraw/zinc/55/84/56/1012558456.db2.gz RYVKRTGAJSATDK-JOCHJYFZSA-N 1 3 359.558 2.821 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000647976060 1012651798 /nfs/dbraw/zinc/65/17/98/1012651798.db2.gz JQDMHSNIRGUOFJ-RZUBCFFCSA-N 1 3 355.526 2.966 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978190 1012653968 /nfs/dbraw/zinc/65/39/68/1012653968.db2.gz NXVJLENQJLYABJ-VQTJNVASSA-N 1 3 373.541 2.803 20 0 FFADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000870974502 1012661150 /nfs/dbraw/zinc/66/11/50/1012661150.db2.gz MMDKUNDUYJMWDQ-XEYPJELSSA-N 1 3 359.489 2.685 20 0 FFADHO c1nnn([C@H]2CCC[C@@H]([N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)C2)n1 ZINC001173768029 1012959830 /nfs/dbraw/zinc/95/98/30/1012959830.db2.gz IEMUQOQSXNNKKJ-BURNTYAHSA-N 1 3 366.513 2.611 20 0 FFADHO c1nnn([C@H]2CCC[C@@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)C2)n1 ZINC001173768029 1012959836 /nfs/dbraw/zinc/95/98/36/1012959836.db2.gz IEMUQOQSXNNKKJ-BURNTYAHSA-N 1 3 366.513 2.611 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001097177668 1017152084 /nfs/dbraw/zinc/15/20/84/1017152084.db2.gz XSORQJUHKWVVSA-NCOADZHNSA-N 1 3 355.473 2.628 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001097177668 1017152136 /nfs/dbraw/zinc/15/21/36/1017152136.db2.gz XSORQJUHKWVVSA-NCOADZHNSA-N 1 3 355.473 2.628 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cncc(C)c3)CC2)CC[N@@H+]1C ZINC001052395015 1017395393 /nfs/dbraw/zinc/39/53/93/1017395393.db2.gz INERSEVUYOBUTG-SLFFLAALSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cncc(C)c3)CC2)CC[N@H+]1C ZINC001052395015 1017395403 /nfs/dbraw/zinc/39/54/03/1017395403.db2.gz INERSEVUYOBUTG-SLFFLAALSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000924705198 1017435318 /nfs/dbraw/zinc/43/53/18/1017435318.db2.gz BJSALRSICXPVMR-XVAYZXCPSA-N 1 3 359.558 2.845 20 0 FFADHO CCn1cnnc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679721751 1017593421 /nfs/dbraw/zinc/59/34/21/1017593421.db2.gz REFANISBPGZXAP-HSALFYBXSA-N 1 3 353.514 2.731 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925436929 1017739487 /nfs/dbraw/zinc/73/94/87/1017739487.db2.gz ILDCTGYUZANJRZ-KZNAEPCWSA-N 1 3 357.502 2.807 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3[C@@H]4CCCN[C@@H]4C3(C)C)CC2)oc1C ZINC000925475457 1017761087 /nfs/dbraw/zinc/76/10/87/1017761087.db2.gz DGRQGMRWDRKLQV-HOJAQTOUSA-N 1 3 360.546 2.870 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@H]3CCNC[C@H]3C3CCCC3)CC2)nc(C)n1 ZINC000925543835 1017779574 /nfs/dbraw/zinc/77/95/74/1017779574.db2.gz XBCFVTVZIHFUSV-PMACEKPBSA-N 1 3 357.546 2.820 20 0 FFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925699131 1017821542 /nfs/dbraw/zinc/82/15/42/1017821542.db2.gz URHHTFPYJMXPFU-YOUFYPILSA-N 1 3 360.546 2.872 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c(OC)c1 ZINC000925842367 1017865959 /nfs/dbraw/zinc/86/59/59/1017865959.db2.gz MIDLIPFONCWVHX-LXGCGDOSSA-N 1 3 361.486 2.543 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CC[C@H]2CNC(=O)C2)cc1CN1CCCCC1 ZINC000926984085 1018312325 /nfs/dbraw/zinc/31/23/25/1018312325.db2.gz ZMEKCHRPYPVDQD-DLBZAZTESA-N 1 3 359.514 2.858 20 0 FFADHO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCC(C)CC2)C3)cc1 ZINC001096234059 1019513678 /nfs/dbraw/zinc/51/36/78/1019513678.db2.gz KQQRVZGFIVBTCB-GIVPXCGWSA-N 1 3 371.525 2.649 20 0 FFADHO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCC(C)CC2)C3)cc1 ZINC001096234059 1019513685 /nfs/dbraw/zinc/51/36/85/1019513685.db2.gz KQQRVZGFIVBTCB-GIVPXCGWSA-N 1 3 371.525 2.649 20 0 FFADHO COC[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000388099188 1019565973 /nfs/dbraw/zinc/56/59/73/1019565973.db2.gz DNNXBEDYPBUSQK-ABSDTBQOSA-N 1 3 367.534 2.619 20 0 FFADHO COC[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000388099188 1019565989 /nfs/dbraw/zinc/56/59/89/1019565989.db2.gz DNNXBEDYPBUSQK-ABSDTBQOSA-N 1 3 367.534 2.619 20 0 FFADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c2ncccc12 ZINC000930602486 1020098990 /nfs/dbraw/zinc/09/89/90/1020098990.db2.gz UNNIVMUWOOFHBM-OAQYLSRUSA-N 1 3 353.466 2.939 20 0 FFADHO COC(=O)c1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c2ncccc12 ZINC000930602486 1020098995 /nfs/dbraw/zinc/09/89/95/1020098995.db2.gz UNNIVMUWOOFHBM-OAQYLSRUSA-N 1 3 353.466 2.939 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001096345279 1020170561 /nfs/dbraw/zinc/17/05/61/1020170561.db2.gz LJNOWARZIJTEOW-CZGNIMDHSA-N 1 3 355.526 2.812 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096345279 1020170571 /nfs/dbraw/zinc/17/05/71/1020170571.db2.gz LJNOWARZIJTEOW-CZGNIMDHSA-N 1 3 355.526 2.812 20 0 FFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1 ZINC001096355771 1020205570 /nfs/dbraw/zinc/20/55/70/1020205570.db2.gz CJTZEECNGDKXNC-HKBOAZHASA-N 1 3 367.537 2.956 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1)C12CC[NH+](CC1)C2 ZINC001096356314 1020208026 /nfs/dbraw/zinc/20/80/26/1020208026.db2.gz PITQSMUCZMIDOA-QYZOEREBSA-N 1 3 373.928 2.700 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3C[C@H]3Cc3ccccc3)CC2)CC1 ZINC000931217075 1020377401 /nfs/dbraw/zinc/37/74/01/1020377401.db2.gz LCTNMDMSTDAFAN-UXHICEINSA-N 1 3 369.553 2.930 20 0 FFADHO CC[N@H+](CCNC(=O)N1CCCN(Cc2ccccc2C)CC1)C(C)C ZINC000726714481 1020511200 /nfs/dbraw/zinc/51/12/00/1020511200.db2.gz SVLCCUIIADPXAE-UHFFFAOYSA-N 1 3 360.546 2.943 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CCCN(Cc2ccccc2C)CC1)C(C)C ZINC000726714481 1020511208 /nfs/dbraw/zinc/51/12/08/1020511208.db2.gz SVLCCUIIADPXAE-UHFFFAOYSA-N 1 3 360.546 2.943 20 0 FFADHO Cc1cn(C)nc1CN(C)[C@H]1CC[C@H]([N@H+](C)Cc2nn(C)cc2C)CC1 ZINC000931736887 1020570260 /nfs/dbraw/zinc/57/02/60/1020570260.db2.gz CEXXXAUTHJQXAV-IYARVYRRSA-N 1 3 358.534 2.645 20 0 FFADHO Cc1cn(C)nc1CN(C)[C@H]1CC[C@H]([N@@H+](C)Cc2nn(C)cc2C)CC1 ZINC000931736887 1020570268 /nfs/dbraw/zinc/57/02/68/1020570268.db2.gz CEXXXAUTHJQXAV-IYARVYRRSA-N 1 3 358.534 2.645 20 0 FFADHO Cc1ccc(NC(=O)[C@H]2CCCN2C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000935419129 1021702722 /nfs/dbraw/zinc/70/27/22/1021702722.db2.gz GZGCWDYKDZLWLT-GOSISDBHSA-N 1 3 360.502 2.697 20 0 FFADHO CCCCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099079807 1021729613 /nfs/dbraw/zinc/72/96/13/1021729613.db2.gz JDVTWEQNJUUVFJ-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099079807 1021729628 /nfs/dbraw/zinc/72/96/28/1021729628.db2.gz JDVTWEQNJUUVFJ-GUDVDZBRSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC001014503902 1021879642 /nfs/dbraw/zinc/87/96/42/1021879642.db2.gz SRJZPGXGEMOCEM-QHAWAJNXSA-N 1 3 355.526 2.596 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC001014503902 1021879656 /nfs/dbraw/zinc/87/96/56/1021879656.db2.gz SRJZPGXGEMOCEM-QHAWAJNXSA-N 1 3 355.526 2.596 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164291 1022164393 /nfs/dbraw/zinc/16/43/93/1022164393.db2.gz RNGOQJQEKDNKKX-AKHDSKFASA-N 1 3 353.551 2.501 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C(F)(F)F ZINC001099307356 1022267813 /nfs/dbraw/zinc/26/78/13/1022267813.db2.gz PRANTXJIKRTILN-IOASZLSFSA-N 1 3 367.431 2.588 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C(F)(F)F ZINC001099345817 1022339038 /nfs/dbraw/zinc/33/90/38/1022339038.db2.gz VIWBPRHHQIPIHI-HZPDHXFCSA-N 1 3 357.420 2.749 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1)C1CC1 ZINC001099447174 1022541386 /nfs/dbraw/zinc/54/13/86/1022541386.db2.gz XRCTVNJMQQNASU-ONTIZHBOSA-N 1 3 355.526 2.745 20 0 FFADHO N[C@H](CC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccccc1 ZINC001122224960 1023126318 /nfs/dbraw/zinc/12/63/18/1023126318.db2.gz SKDNXVGIABNPOA-RTBURBONSA-N 1 3 365.477 2.839 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(Cc3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000948384295 1023245456 /nfs/dbraw/zinc/24/54/56/1023245456.db2.gz ACSYATPJQGYIHK-LSTHTHJFSA-N 1 3 361.505 2.979 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(Cc3cccc(F)c3)CC2)CC[N@H+]1C ZINC000948384295 1023245461 /nfs/dbraw/zinc/24/54/61/1023245461.db2.gz ACSYATPJQGYIHK-LSTHTHJFSA-N 1 3 361.505 2.979 20 0 FFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC1CCC(O)CC1 ZINC001218366566 1033126061 /nfs/dbraw/zinc/12/60/61/1033126061.db2.gz OFHYNCQRMUEFKL-UHFFFAOYSA-N 1 3 363.546 2.554 20 0 FFADHO COCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)cc1 ZINC001111298787 1023674202 /nfs/dbraw/zinc/67/42/02/1023674202.db2.gz QRUGBBQEIPPJGG-NJYVYQBISA-N 1 3 373.541 2.786 20 0 FFADHO C[C@H](CCO)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000779340886 1023702623 /nfs/dbraw/zinc/70/26/23/1023702623.db2.gz DWLMCZRMOAZHGV-LJQANCHMSA-N 1 3 353.510 2.869 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001121653887 1023906690 /nfs/dbraw/zinc/90/66/90/1023906690.db2.gz FUXBMBJSTWZVDK-WJXKREEZSA-N 1 3 374.577 2.632 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001121653887 1023906694 /nfs/dbraw/zinc/90/66/94/1023906694.db2.gz FUXBMBJSTWZVDK-WJXKREEZSA-N 1 3 374.577 2.632 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C3(C4CC[NH2+]CC4)CC3)cc2)CC1 ZINC001121928569 1024179623 /nfs/dbraw/zinc/17/96/23/1024179623.db2.gz QNUREHNMACICCP-UHFFFAOYSA-N 1 3 370.541 2.542 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CNCC2 ZINC001122003861 1024257150 /nfs/dbraw/zinc/25/71/50/1024257150.db2.gz HRFNGAZWOYOQLT-QGZVFWFLSA-N 1 3 369.534 2.988 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CNCC2 ZINC001122003861 1024257167 /nfs/dbraw/zinc/25/71/67/1024257167.db2.gz HRFNGAZWOYOQLT-QGZVFWFLSA-N 1 3 369.534 2.988 20 0 FFADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cc2c(s1)CNCC2 ZINC001122023880 1024269572 /nfs/dbraw/zinc/26/95/72/1024269572.db2.gz QVKDOCCQKBLZJK-WBVHZDCISA-N 1 3 373.497 2.656 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368663 1024561735 /nfs/dbraw/zinc/56/17/35/1024561735.db2.gz GPXIZELFABXCAG-APWZRJJASA-N 1 3 371.516 2.790 20 0 FFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368663 1024561741 /nfs/dbraw/zinc/56/17/41/1024561741.db2.gz GPXIZELFABXCAG-APWZRJJASA-N 1 3 371.516 2.790 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)c1 ZINC001101397742 1024630701 /nfs/dbraw/zinc/63/07/01/1024630701.db2.gz FPRJKDSYPNJJOO-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)c1 ZINC001101397742 1024630707 /nfs/dbraw/zinc/63/07/07/1024630707.db2.gz FPRJKDSYPNJJOO-IRLDBZIGSA-N 1 3 357.542 2.871 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001101476392 1024838831 /nfs/dbraw/zinc/83/88/31/1024838831.db2.gz QOAXYWBRMABIDF-IRLDBZIGSA-N 1 3 357.542 2.740 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@]2(C)C1 ZINC001101476392 1024838850 /nfs/dbraw/zinc/83/88/50/1024838850.db2.gz QOAXYWBRMABIDF-IRLDBZIGSA-N 1 3 357.542 2.740 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001101963002 1025217715 /nfs/dbraw/zinc/21/77/15/1025217715.db2.gz IJKUOQLEQUKEFC-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)[C@H](C)C1 ZINC001101963002 1025217727 /nfs/dbraw/zinc/21/77/27/1025217727.db2.gz IJKUOQLEQUKEFC-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001102044875 1025347470 /nfs/dbraw/zinc/34/74/70/1025347470.db2.gz IZPJKIUTMKEVRG-RLLQIKCJSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001102044875 1025347485 /nfs/dbraw/zinc/34/74/85/1025347485.db2.gz IZPJKIUTMKEVRG-RLLQIKCJSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046159 1025351357 /nfs/dbraw/zinc/35/13/57/1025351357.db2.gz PNMAISATODTVLP-SJLPKXTDSA-N 1 3 361.505 2.537 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046159 1025351373 /nfs/dbraw/zinc/35/13/73/1025351373.db2.gz PNMAISATODTVLP-SJLPKXTDSA-N 1 3 361.505 2.537 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047794 1025354820 /nfs/dbraw/zinc/35/48/20/1025354820.db2.gz SVBCRPFMVINJGU-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102047794 1025354832 /nfs/dbraw/zinc/35/48/32/1025354832.db2.gz SVBCRPFMVINJGU-HBGVWJBISA-N 1 3 357.542 2.773 20 0 FFADHO C[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051632 1025363111 /nfs/dbraw/zinc/36/31/11/1025363111.db2.gz BMRCVBBLVSROBE-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051632 1025363122 /nfs/dbraw/zinc/36/31/22/1025363122.db2.gz BMRCVBBLVSROBE-HUUCEWRRSA-N 1 3 363.468 2.887 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)cc1F ZINC001102071588 1025392153 /nfs/dbraw/zinc/39/21/53/1025392153.db2.gz PRMXNOSYHYBGPK-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)cc1F ZINC001102071588 1025392166 /nfs/dbraw/zinc/39/21/66/1025392166.db2.gz PRMXNOSYHYBGPK-POAQFYNOSA-N 1 3 363.521 2.904 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001102088521 1025412680 /nfs/dbraw/zinc/41/26/80/1025412680.db2.gz YSMVJYWZYIOLRI-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C)N(C)C ZINC001102088521 1025412685 /nfs/dbraw/zinc/41/26/85/1025412685.db2.gz YSMVJYWZYIOLRI-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000637831513 1025590841 /nfs/dbraw/zinc/59/08/41/1025590841.db2.gz CYKDMANDZXUZPT-WOJBJXKFSA-N 1 3 355.482 2.505 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)Cc2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000638076661 1025693440 /nfs/dbraw/zinc/69/34/40/1025693440.db2.gz RVRYZFLADFMMQU-OAQYLSRUSA-N 1 3 351.494 2.602 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000638377970 1025813905 /nfs/dbraw/zinc/81/39/05/1025813905.db2.gz OLTDPELDOHJHNR-UHFFFAOYSA-N 1 3 360.546 2.787 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]2C)C1 ZINC001102369812 1025824386 /nfs/dbraw/zinc/82/43/86/1025824386.db2.gz HRGSQDJKMCHKAP-BZUAXINKSA-N 1 3 363.468 2.745 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]2C)C1 ZINC001102369812 1025824405 /nfs/dbraw/zinc/82/44/05/1025824405.db2.gz HRGSQDJKMCHKAP-BZUAXINKSA-N 1 3 363.468 2.745 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]2C)C1 ZINC001102370119 1025825179 /nfs/dbraw/zinc/82/51/79/1025825179.db2.gz RKYVOGYZTJRHDL-WUYNAKMNSA-N 1 3 355.526 2.726 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]2C)C1 ZINC001102370119 1025825194 /nfs/dbraw/zinc/82/51/94/1025825194.db2.gz RKYVOGYZTJRHDL-WUYNAKMNSA-N 1 3 355.526 2.726 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]2C)C1 ZINC001102370117 1025829717 /nfs/dbraw/zinc/82/97/17/1025829717.db2.gz RKYVOGYZTJRHDL-AKHBMVNWSA-N 1 3 355.526 2.726 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]2C)C1 ZINC001102370117 1025829720 /nfs/dbraw/zinc/82/97/20/1025829720.db2.gz RKYVOGYZTJRHDL-AKHBMVNWSA-N 1 3 355.526 2.726 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2C)C1 ZINC001102370300 1025832242 /nfs/dbraw/zinc/83/22/42/1025832242.db2.gz WJKYSEYWLXQXFM-MBOZVWFJSA-N 1 3 368.525 2.694 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2C)C1 ZINC001102370300 1025832259 /nfs/dbraw/zinc/83/22/59/1025832259.db2.gz WJKYSEYWLXQXFM-MBOZVWFJSA-N 1 3 368.525 2.694 20 0 FFADHO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375436 1025842047 /nfs/dbraw/zinc/84/20/47/1025842047.db2.gz JJCOUXISIHCGJD-ZIAGYGMSSA-N 1 3 351.457 2.601 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375436 1025842064 /nfs/dbraw/zinc/84/20/64/1025842064.db2.gz JJCOUXISIHCGJD-ZIAGYGMSSA-N 1 3 351.457 2.601 20 0 FFADHO Cc1cncc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C2)c1 ZINC001102375594 1025843342 /nfs/dbraw/zinc/84/33/42/1025843342.db2.gz SCDOVAGLTTZUTN-IEBWSBKVSA-N 1 3 360.546 2.552 20 0 FFADHO Cc1cncc(C[N@H+]2C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@H](C)C2)c1 ZINC001102375594 1025843356 /nfs/dbraw/zinc/84/33/56/1025843356.db2.gz SCDOVAGLTTZUTN-IEBWSBKVSA-N 1 3 360.546 2.552 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1C)N(C)C ZINC001102381985 1025859887 /nfs/dbraw/zinc/85/98/87/1025859887.db2.gz KVWHSEOHLZRCCS-GGPKGHCWSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1C)N(C)C ZINC001102381985 1025859905 /nfs/dbraw/zinc/85/99/05/1025859905.db2.gz KVWHSEOHLZRCCS-GGPKGHCWSA-N 1 3 367.578 2.750 20 0 FFADHO CN(C)c1cc(CNC2CC[NH+](CC(C)(C)O)CC2)c2ccccc2n1 ZINC000638700524 1025936725 /nfs/dbraw/zinc/93/67/25/1025936725.db2.gz YXCRBZYJDXAWKO-UHFFFAOYSA-N 1 3 356.514 2.626 20 0 FFADHO CN1CC[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000638833362 1026038279 /nfs/dbraw/zinc/03/82/79/1026038279.db2.gz VVKBUPZKCPHQGH-RTBURBONSA-N 1 3 367.484 2.535 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1C ZINC001102472141 1026041385 /nfs/dbraw/zinc/04/13/85/1026041385.db2.gz KGQQXWOEEMSXTL-UYAOXDASSA-N 1 3 360.546 2.778 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C ZINC001102472141 1026041403 /nfs/dbraw/zinc/04/14/03/1026041403.db2.gz KGQQXWOEEMSXTL-UYAOXDASSA-N 1 3 360.546 2.778 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2cccc(C(C)C)n2)C[C@H]1C ZINC001102495878 1026127685 /nfs/dbraw/zinc/12/76/85/1026127685.db2.gz RLQHEIMSZHJRMX-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2cccc(C(C)C)n2)C[C@H]1C ZINC001102495878 1026127692 /nfs/dbraw/zinc/12/76/92/1026127692.db2.gz RLQHEIMSZHJRMX-QZTJIDSGSA-N 1 3 360.546 2.731 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514417 1026182530 /nfs/dbraw/zinc/18/25/30/1026182530.db2.gz WTCRTOIRFJGXHA-SOLBZPMBSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514417 1026182537 /nfs/dbraw/zinc/18/25/37/1026182537.db2.gz WTCRTOIRFJGXHA-SOLBZPMBSA-N 1 3 363.933 2.866 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1C ZINC001102600521 1026401804 /nfs/dbraw/zinc/40/18/04/1026401804.db2.gz IXOZBRIIEGFYLN-SJLPKXTDSA-N 1 3 365.949 2.907 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1C ZINC001102600521 1026401818 /nfs/dbraw/zinc/40/18/18/1026401818.db2.gz IXOZBRIIEGFYLN-SJLPKXTDSA-N 1 3 365.949 2.907 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(C[C@@H](C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675072 1026428253 /nfs/dbraw/zinc/42/82/53/1026428253.db2.gz QAZGVKRCNCKEEX-DXGJXXFVSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(C[C@@H](C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675072 1026428256 /nfs/dbraw/zinc/42/82/56/1026428256.db2.gz QAZGVKRCNCKEEX-DXGJXXFVSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](CN2C[C@@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675072 1026428265 /nfs/dbraw/zinc/42/82/65/1026428265.db2.gz QAZGVKRCNCKEEX-DXGJXXFVSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](CN2C[C@@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675072 1026428270 /nfs/dbraw/zinc/42/82/70/1026428270.db2.gz QAZGVKRCNCKEEX-DXGJXXFVSA-N 1 3 374.569 2.671 20 0 FFADHO C=COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000839151811 1026606946 /nfs/dbraw/zinc/60/69/46/1026606946.db2.gz COWZNUZNTBVMOV-UHFFFAOYSA-N 1 3 358.486 2.889 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102780851 1026646573 /nfs/dbraw/zinc/64/65/73/1026646573.db2.gz QXRBHNAJBKJHKR-OGWOLHLISA-N 1 3 365.468 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102780851 1026646579 /nfs/dbraw/zinc/64/65/79/1026646579.db2.gz QXRBHNAJBKJHKR-OGWOLHLISA-N 1 3 365.468 2.633 20 0 FFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1csc(CC[NH3+])n1 ZINC000719880844 1026685977 /nfs/dbraw/zinc/68/59/77/1026685977.db2.gz ARDPCWYXNUAKHF-QGZVFWFLSA-N 1 3 372.538 2.771 20 0 FFADHO Cn1cncc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204385350 1027044596 /nfs/dbraw/zinc/04/45/96/1027044596.db2.gz JEGMJCWPJMKZHO-LJQANCHMSA-N 1 3 354.498 2.676 20 0 FFADHO Cn1cncc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001204385350 1027044605 /nfs/dbraw/zinc/04/46/05/1027044605.db2.gz JEGMJCWPJMKZHO-LJQANCHMSA-N 1 3 354.498 2.676 20 0 FFADHO CN1CCC(N(c2ccc(-c3ccncc3)cn2)C2CC[NH2+]CC2)CC1 ZINC001158589199 1027070342 /nfs/dbraw/zinc/07/03/42/1027070342.db2.gz OPRSOFIKGMVFGK-UHFFFAOYSA-N 1 3 351.498 2.796 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438744 1027485860 /nfs/dbraw/zinc/48/58/60/1027485860.db2.gz ZQGKVWSMCSAXCB-UYAOXDASSA-N 1 3 357.542 2.993 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438744 1027485868 /nfs/dbraw/zinc/48/58/68/1027485868.db2.gz ZQGKVWSMCSAXCB-UYAOXDASSA-N 1 3 357.542 2.993 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@H]1C ZINC001103542629 1027659400 /nfs/dbraw/zinc/65/94/00/1027659400.db2.gz PYDWNECEPYMQLY-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1C ZINC001103542629 1027659404 /nfs/dbraw/zinc/65/94/04/1027659404.db2.gz PYDWNECEPYMQLY-GUDVDZBRSA-N 1 3 355.567 2.608 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001160499306 1027728957 /nfs/dbraw/zinc/72/89/57/1027728957.db2.gz YOGBYENRBCZFSO-HKUYNNGSSA-N 1 3 352.482 2.706 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001160499306 1027728976 /nfs/dbraw/zinc/72/89/76/1027728976.db2.gz YOGBYENRBCZFSO-HKUYNNGSSA-N 1 3 352.482 2.706 20 0 FFADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248991681 1027905603 /nfs/dbraw/zinc/90/56/03/1027905603.db2.gz NQJACAFRJXUGAU-ZCRFILTFSA-N 1 3 367.534 2.962 20 0 FFADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248991681 1027905613 /nfs/dbraw/zinc/90/56/13/1027905613.db2.gz NQJACAFRJXUGAU-ZCRFILTFSA-N 1 3 367.534 2.962 20 0 FFADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248991681 1027905629 /nfs/dbraw/zinc/90/56/29/1027905629.db2.gz NQJACAFRJXUGAU-ZCRFILTFSA-N 1 3 367.534 2.962 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC001160955863 1027942766 /nfs/dbraw/zinc/94/27/66/1027942766.db2.gz ISJNOIQLRMHMEB-GHTZIAJQSA-N 1 3 359.514 2.508 20 0 FFADHO CN1CCC[C@H]2CN(C(=O)c3c(Cl)cc4c(c3Cl)CC[NH2+]C4)C[C@H]21 ZINC001161085464 1028004793 /nfs/dbraw/zinc/00/47/93/1028004793.db2.gz YJGREJOQMJIIMH-XHDPSFHLSA-N 1 3 368.308 2.805 20 0 FFADHO CN(Cc1ccc(NC2CC[NH+](CC3CCOCC3)CC2)nc1)C1CC1 ZINC001161216754 1028074536 /nfs/dbraw/zinc/07/45/36/1028074536.db2.gz XKGXGCSBFYLQHC-UHFFFAOYSA-N 1 3 358.530 2.979 20 0 FFADHO CN1CCN(c2cccc(NCC3CC[NH+](CC4CCC4)CC3)n2)CC1 ZINC001161233948 1028085462 /nfs/dbraw/zinc/08/54/62/1028085462.db2.gz KKFYCDSLXUTYAX-UHFFFAOYSA-N 1 3 357.546 2.757 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161429252 1028167037 /nfs/dbraw/zinc/16/70/37/1028167037.db2.gz SIUGAFHKRNCEKL-QFIPXVFZSA-N 1 3 369.484 2.866 20 0 FFADHO COc1ccc(C(C)(C)C)cc1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448506 1028179361 /nfs/dbraw/zinc/17/93/61/1028179361.db2.gz DJDRCAIZYDFTOE-QGZVFWFLSA-N 1 3 361.530 2.749 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC000644161010 1028346178 /nfs/dbraw/zinc/34/61/78/1028346178.db2.gz XYRUPTYOTAJTBY-IRLDBZIGSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)C2)C1 ZINC000644161010 1028346197 /nfs/dbraw/zinc/34/61/97/1028346197.db2.gz XYRUPTYOTAJTBY-IRLDBZIGSA-N 1 3 370.541 2.951 20 0 FFADHO CN(C)[C@H](CNC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525444 1028520437 /nfs/dbraw/zinc/52/04/37/1028520437.db2.gz LQIBPPFIFOIIBH-NHCUHLMSSA-N 1 3 359.489 2.511 20 0 FFADHO CN(C)[C@H](CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525444 1028520446 /nfs/dbraw/zinc/52/04/46/1028520446.db2.gz LQIBPPFIFOIIBH-NHCUHLMSSA-N 1 3 359.489 2.511 20 0 FFADHO CN(C)[C@H](C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1)c1ccc(F)cc1 ZINC000644525444 1028520454 /nfs/dbraw/zinc/52/04/54/1028520454.db2.gz LQIBPPFIFOIIBH-NHCUHLMSSA-N 1 3 359.489 2.511 20 0 FFADHO COCCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001104196146 1028653923 /nfs/dbraw/zinc/65/39/23/1028653923.db2.gz KVWHOOWALKWMCD-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO COC(=O)c1ccc([C@@H]([NH3+])CNc2ccc(CN(C)C3CC3)cn2)cc1 ZINC001163465636 1028937541 /nfs/dbraw/zinc/93/75/41/1028937541.db2.gz HBVQWZHXDHITSW-SFHVURJKSA-N 1 3 354.454 2.574 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)OCCNC5)[C@H]3C2)cc1 ZINC001164483723 1029289447 /nfs/dbraw/zinc/28/94/47/1029289447.db2.gz CLWBMSLPQXMPPP-SLFFLAALSA-N 1 3 364.493 2.886 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ccc5c(n4)OCCNC5)[C@H]3C2)cc1 ZINC001164483723 1029289457 /nfs/dbraw/zinc/28/94/57/1029289457.db2.gz CLWBMSLPQXMPPP-SLFFLAALSA-N 1 3 364.493 2.886 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001165112815 1029399944 /nfs/dbraw/zinc/39/99/44/1029399944.db2.gz OPCNSDUCTFPRNJ-HXUWFJFHSA-N 1 3 358.530 2.757 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001165112815 1029399954 /nfs/dbraw/zinc/39/99/54/1029399954.db2.gz OPCNSDUCTFPRNJ-HXUWFJFHSA-N 1 3 358.530 2.757 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ccc(-c4ccsc4)nn3)CC2)CC1 ZINC001157848608 1029675142 /nfs/dbraw/zinc/67/51/42/1029675142.db2.gz YBMOCVPMCCFYBU-UHFFFAOYSA-N 1 3 357.527 2.669 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3nc(Cl)cc4c(Cl)ccnc43)CC2)C1 ZINC001158259836 1029776634 /nfs/dbraw/zinc/77/66/34/1029776634.db2.gz AFMBERUFOAUAEH-LLVKDONJSA-N 1 3 366.296 2.938 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3nc(Cl)cc4c(Cl)ccnc43)CC2)C1 ZINC001158259836 1029776640 /nfs/dbraw/zinc/77/66/40/1029776640.db2.gz AFMBERUFOAUAEH-LLVKDONJSA-N 1 3 366.296 2.938 20 0 FFADHO O=C(c1ccc2c(c1)CNC2)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158263000 1029777907 /nfs/dbraw/zinc/77/79/07/1029777907.db2.gz XRMJLHYMYQGABC-HNNXBMFYSA-N 1 3 353.388 2.579 20 0 FFADHO O=C([C@H]1CC[C@H](c2ccccc2)[NH2+]C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335227 1029801147 /nfs/dbraw/zinc/80/11/47/1029801147.db2.gz ONDMXYRXUFWCKZ-VXSCBNMQSA-N 1 3 361.489 2.825 20 0 FFADHO CCOc1cccc(Cl)c1CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380718 1029815846 /nfs/dbraw/zinc/81/58/46/1029815846.db2.gz VHOFKXGOYOLKBB-HUUCEWRRSA-N 1 3 367.921 2.675 20 0 FFADHO CCOc1cccc(Cl)c1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380718 1029815849 /nfs/dbraw/zinc/81/58/49/1029815849.db2.gz VHOFKXGOYOLKBB-HUUCEWRRSA-N 1 3 367.921 2.675 20 0 FFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114480 1030037651 /nfs/dbraw/zinc/03/76/51/1030037651.db2.gz SHQCOWPPGXCRTN-BZUAXINKSA-N 1 3 363.468 2.886 20 0 FFADHO CN(CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCCF)C1)C1CCC1 ZINC001112115997 1030039060 /nfs/dbraw/zinc/03/90/60/1030039060.db2.gz CLKWMGSPQNKQJH-HUUCEWRRSA-N 1 3 367.431 2.589 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166272 1030131739 /nfs/dbraw/zinc/13/17/39/1030131739.db2.gz MBPCJPURNVXSIY-POMZPUPMSA-N 1 3 361.452 2.663 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)[C@@H]1c1ccccc1 ZINC000841282801 1030154171 /nfs/dbraw/zinc/15/41/71/1030154171.db2.gz QIHAQDOEEMYJCL-OALUTQOASA-N 1 3 354.454 2.591 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)[C@H]1c1ccccc1 ZINC000841282804 1030156063 /nfs/dbraw/zinc/15/60/63/1030156063.db2.gz QIHAQDOEEMYJCL-RBUKOAKNSA-N 1 3 354.454 2.591 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841290103 1030162708 /nfs/dbraw/zinc/16/27/08/1030162708.db2.gz ASWBUWZIOUVJPJ-QFBILLFUSA-N 1 3 368.481 2.981 20 0 FFADHO C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001166247438 1030317949 /nfs/dbraw/zinc/31/79/49/1030317949.db2.gz HCWGBCOGNFZJOH-ZWKOTPCHSA-N 1 3 371.525 2.995 20 0 FFADHO C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001166247438 1030317964 /nfs/dbraw/zinc/31/79/64/1030317964.db2.gz HCWGBCOGNFZJOH-ZWKOTPCHSA-N 1 3 371.525 2.995 20 0 FFADHO [NH3+]C1(CC2CCC2)CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1 ZINC001142349508 1030335804 /nfs/dbraw/zinc/33/58/04/1030335804.db2.gz AGVOSPDNJBEIEP-UHFFFAOYSA-N 1 3 370.541 2.804 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841730862 1030432297 /nfs/dbraw/zinc/43/22/97/1030432297.db2.gz QIQOEVYPSJKXEC-UTKZUKDTSA-N 1 3 366.509 2.823 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCc3ccc(CC[NH3+])cc3)CC2)CC1 ZINC000841931004 1030551068 /nfs/dbraw/zinc/55/10/68/1030551068.db2.gz NIEGBDGYHFHECN-UHFFFAOYSA-N 1 3 358.530 2.594 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1 ZINC001112353756 1030633277 /nfs/dbraw/zinc/63/32/77/1030633277.db2.gz ZHHCZRCYHOHLMY-NVXDLGARSA-N 1 3 353.938 2.830 20 0 FFADHO CN1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4cccc(F)c4)C3)O2)CC1 ZINC001203784808 1030888215 /nfs/dbraw/zinc/88/82/15/1030888215.db2.gz NHIIAVBEHXJOJZ-NHCUHLMSSA-N 1 3 361.505 2.587 20 0 FFADHO CN1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccc(F)c4)C3)O2)CC1 ZINC001203784808 1030888239 /nfs/dbraw/zinc/88/82/39/1030888239.db2.gz NHIIAVBEHXJOJZ-NHCUHLMSSA-N 1 3 361.505 2.587 20 0 FFADHO CC(=O)Nc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203924682 1030983426 /nfs/dbraw/zinc/98/34/26/1030983426.db2.gz QIOYTWSMEONZEO-KDURUIRLSA-N 1 3 350.466 2.604 20 0 FFADHO CC(=O)Nc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203924682 1030983433 /nfs/dbraw/zinc/98/34/33/1030983433.db2.gz QIOYTWSMEONZEO-KDURUIRLSA-N 1 3 350.466 2.604 20 0 FFADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccncc1)CC2 ZINC001204078765 1031086081 /nfs/dbraw/zinc/08/60/81/1031086081.db2.gz DSYDGSXQSJQDOQ-OAQYLSRUSA-N 1 3 373.541 2.811 20 0 FFADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccncc1)CC2 ZINC001204078765 1031086101 /nfs/dbraw/zinc/08/61/01/1031086101.db2.gz DSYDGSXQSJQDOQ-OAQYLSRUSA-N 1 3 373.541 2.811 20 0 FFADHO CCc1ncnc2c1CCN(Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204266431 1031194821 /nfs/dbraw/zinc/19/48/21/1031194821.db2.gz WMZQETWPLUEUIK-UHFFFAOYSA-N 1 3 368.525 2.970 20 0 FFADHO C[NH+](C)CCCOc1ccc(CN2CCC(C(C)(C)C(N)=O)CC2)cc1 ZINC001204270037 1031197046 /nfs/dbraw/zinc/19/70/46/1031197046.db2.gz NZTUKNFSSREERV-UHFFFAOYSA-N 1 3 361.530 2.741 20 0 FFADHO CCCCOc1cccc(CNC(=O)CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843363891 1031355157 /nfs/dbraw/zinc/35/51/57/1031355157.db2.gz QZZYXMOSTGQUJC-UHFFFAOYSA-N 1 3 359.514 2.557 20 0 FFADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000843363650 1031355194 /nfs/dbraw/zinc/35/51/94/1031355194.db2.gz HATYAKRQQJVKAC-MRXNPFEDSA-N 1 3 367.415 2.886 20 0 FFADHO C[C@@]1(C[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)CCN(Cc2ccccc2)C1 ZINC000798395437 1031388221 /nfs/dbraw/zinc/38/82/21/1031388221.db2.gz FEHVWXLAOFQYMG-IRLDBZIGSA-N 1 3 369.484 2.724 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCCF)C1)N(C)C ZINC001205312717 1031664258 /nfs/dbraw/zinc/66/42/58/1031664258.db2.gz CAOWKZCNLGDAPZ-OTWHNJEPSA-N 1 3 367.484 2.800 20 0 FFADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179559 1031681694 /nfs/dbraw/zinc/68/16/94/1031681694.db2.gz OLPVKKZUGQCCGB-KRWDZBQOSA-N 1 3 361.505 2.681 20 0 FFADHO C[C@@H]1CCN(Cc2cn3ccc(Br)cc3n2)CC[C@H]1C[NH3+] ZINC001205625677 1031883946 /nfs/dbraw/zinc/88/39/46/1031883946.db2.gz CKTHUKGZNDVONO-OLZOCXBDSA-N 1 3 351.292 2.904 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001205663459 1031914904 /nfs/dbraw/zinc/91/49/04/1031914904.db2.gz AVPCCYRNYVDDNW-HHXXYDBFSA-N 1 3 367.484 2.800 20 0 FFADHO Cc1cnccc1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001205841344 1032027590 /nfs/dbraw/zinc/02/75/90/1032027590.db2.gz DJXMQKODMWHLCK-YPAWHYETSA-N 1 3 373.541 2.870 20 0 FFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001218713038 1033295213 /nfs/dbraw/zinc/29/52/13/1033295213.db2.gz MDPLORVTUQEBCY-KRWDZBQOSA-N 1 3 354.454 2.894 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(OC(F)(F)C(F)F)c1 ZINC001218817686 1033355921 /nfs/dbraw/zinc/35/59/21/1033355921.db2.gz RIYAZGNBQCZSIB-ZDUSSCGKSA-N 1 3 365.371 2.921 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)cc1 ZINC001218898277 1033398309 /nfs/dbraw/zinc/39/83/09/1033398309.db2.gz MFDKSZDRFAOOQW-IBGZPJMESA-N 1 3 355.482 2.830 20 0 FFADHO Cc1ccc([C@@H](C(=O)Nc2cccc3c2CNC3)N2CCC[NH2+]CC2)cc1 ZINC001218993894 1033446764 /nfs/dbraw/zinc/44/67/64/1033446764.db2.gz XQEHGYLRJXAGDY-NRFANRHFSA-N 1 3 364.493 2.573 20 0 FFADHO Nc1ccccc1N(C(=O)C1(N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001219061588 1033499713 /nfs/dbraw/zinc/49/97/13/1033499713.db2.gz GYGLCJWHMDPHAH-UHFFFAOYSA-N 1 3 364.493 2.758 20 0 FFADHO CC(C)Oc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc(C(F)(F)F)c1 ZINC001219173216 1033542330 /nfs/dbraw/zinc/54/23/30/1033542330.db2.gz YNSUYWGJLAANGN-CXAGYDPISA-N 1 3 371.403 2.630 20 0 FFADHO Nc1ccc(-c2cc3cc(NC(=O)[C@H](N)C4CC[NH2+]CC4)ccc3o2)cc1 ZINC001219213065 1033558535 /nfs/dbraw/zinc/55/85/35/1033558535.db2.gz UMDQSXVTMPMVFY-HXUWFJFHSA-N 1 3 364.449 2.947 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(c1)N(Cc1ccccc1)CC2 ZINC001219520662 1033675417 /nfs/dbraw/zinc/67/54/17/1033675417.db2.gz KNHHZRXQQAZWBH-IBGZPJMESA-N 1 3 352.482 2.644 20 0 FFADHO CC(C)(C)OC(=O)N1CCN2C[C@@H](OCCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001224855735 1034036016 /nfs/dbraw/zinc/03/60/16/1034036016.db2.gz RXLYDKITRRKUMC-ROUUACIJSA-N 1 3 367.534 2.573 20 0 FFADHO O=C(N[C@@H]1CC12CCC2)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001221015429 1034500398 /nfs/dbraw/zinc/50/03/98/1034500398.db2.gz HKZXPKSVEAYSIZ-WOIUINJBSA-N 1 3 353.510 2.547 20 0 FFADHO O=C(N[C@H]1CC=CCC1)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001221018937 1034501468 /nfs/dbraw/zinc/50/14/68/1034501468.db2.gz MNDFZBPIBHBOEE-RZUBCFFCSA-N 1 3 353.510 2.713 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCc1c[nH]c2cccc(Cl)c12 ZINC001221319325 1034675421 /nfs/dbraw/zinc/67/54/21/1034675421.db2.gz WFCGEZPLNBFQLT-HNNXBMFYSA-N 1 3 350.894 2.539 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1cc(-c2ccccc2F)no1 ZINC001221322331 1034675760 /nfs/dbraw/zinc/67/57/60/1034675760.db2.gz AWYNYDLNKVMSLO-KRWDZBQOSA-N 1 3 362.449 2.593 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)c(C)n1 ZINC001226799479 1034844370 /nfs/dbraw/zinc/84/43/70/1034844370.db2.gz AHNMJIWZKCQBKF-VAMGGRTRSA-N 1 3 358.530 2.556 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800906 1034847050 /nfs/dbraw/zinc/84/70/50/1034847050.db2.gz PUSRQTPSOPABRU-KZNAEPCWSA-N 1 3 364.559 2.617 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C2CCC2)cc1 ZINC001226823952 1034853560 /nfs/dbraw/zinc/85/35/60/1034853560.db2.gz FYQABQFNYSDXTN-WOJBJXKFSA-N 1 3 359.514 2.697 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cc(Cl)cnc3Cl)CC2)CC1 ZINC001139357185 1035071153 /nfs/dbraw/zinc/07/11/53/1035071153.db2.gz MTWCKEHHPKMWEZ-UHFFFAOYSA-N 1 3 357.329 2.848 20 0 FFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3cc4ccccc4s3)C[C@H]21 ZINC001221791368 1035073092 /nfs/dbraw/zinc/07/30/92/1035073092.db2.gz IMBBCOQVSSDZGI-SJLPKXTDSA-N 1 3 357.523 2.886 20 0 FFADHO c1cnc2cc(CN3CCC(COCC[NH+]4CCCC4)CC3)cnc2c1 ZINC001139741186 1035216068 /nfs/dbraw/zinc/21/60/68/1035216068.db2.gz QTKMCBQNNOGDRU-UHFFFAOYSA-N 1 3 354.498 2.954 20 0 FFADHO COCCn1cc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC001139779568 1035230444 /nfs/dbraw/zinc/23/04/44/1035230444.db2.gz SJQAHUDCGFLJSS-FQEVSTJZSA-N 1 3 372.513 2.999 20 0 FFADHO COCCn1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC001139779568 1035230448 /nfs/dbraw/zinc/23/04/48/1035230448.db2.gz SJQAHUDCGFLJSS-FQEVSTJZSA-N 1 3 372.513 2.999 20 0 FFADHO CN1CCN(c2ccc(C[N@H+](C)CCC(=O)c3ccccc3)cn2)CC1 ZINC001232364878 1035628600 /nfs/dbraw/zinc/62/86/00/1035628600.db2.gz CCSCBRGPLNPJCP-UHFFFAOYSA-N 1 3 352.482 2.538 20 0 FFADHO CN1CCN(c2ccc(C[N@@H+](C)CCC(=O)c3ccccc3)cn2)CC1 ZINC001232364878 1035628606 /nfs/dbraw/zinc/62/86/06/1035628606.db2.gz CCSCBRGPLNPJCP-UHFFFAOYSA-N 1 3 352.482 2.538 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(F)c1F ZINC001228254610 1036015283 /nfs/dbraw/zinc/01/52/83/1036015283.db2.gz CKZDRTSEHZURMC-IAGOWNOFSA-N 1 3 353.457 2.824 20 0 FFADHO COc1ncc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC001232951191 1036180071 /nfs/dbraw/zinc/18/00/71/1036180071.db2.gz ZAAJGZPKZVWELP-UHFFFAOYSA-N 1 3 368.525 2.703 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)C1 ZINC001228602788 1036198108 /nfs/dbraw/zinc/19/81/08/1036198108.db2.gz LDLUQAKQSLWVKM-DHTNTFHKSA-N 1 3 359.917 2.968 20 0 FFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1cc(C)n[nH]1)CC2 ZINC001203070991 1036268980 /nfs/dbraw/zinc/26/89/80/1036268980.db2.gz FMSHWPVIJMSEST-HXUWFJFHSA-N 1 3 369.513 2.616 20 0 FFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1cc(C)n[nH]1)CC2 ZINC001203070991 1036269004 /nfs/dbraw/zinc/26/90/04/1036269004.db2.gz FMSHWPVIJMSEST-HXUWFJFHSA-N 1 3 369.513 2.616 20 0 FFADHO Cc1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]n1 ZINC001203074544 1036329755 /nfs/dbraw/zinc/32/97/55/1036329755.db2.gz SCZBGUQGTXYAIU-HXUWFJFHSA-N 1 3 354.498 2.974 20 0 FFADHO Cc1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]n1 ZINC001203074544 1036329777 /nfs/dbraw/zinc/32/97/77/1036329777.db2.gz SCZBGUQGTXYAIU-HXUWFJFHSA-N 1 3 354.498 2.974 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC001229181224 1036535737 /nfs/dbraw/zinc/53/57/37/1036535737.db2.gz SFHFVXGEUNGNCK-VAMGGRTRSA-N 1 3 367.578 2.942 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(F)c1 ZINC001229202263 1036550297 /nfs/dbraw/zinc/55/02/97/1036550297.db2.gz RAZVLRQFDUBNFP-QZTJIDSGSA-N 1 3 365.493 2.693 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C)c1 ZINC001229213920 1036555998 /nfs/dbraw/zinc/55/59/98/1036555998.db2.gz NHTIAJFTHWXNFU-WOJBJXKFSA-N 1 3 361.530 2.733 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC001229231495 1036566186 /nfs/dbraw/zinc/56/61/86/1036566186.db2.gz PWHQCAVKAAIBFR-RTBURBONSA-N 1 3 353.551 2.552 20 0 FFADHO CCCN(C(=O)NCc1ccc(Nc2ccncc2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC001233780596 1036760536 /nfs/dbraw/zinc/76/05/36/1036760536.db2.gz NTEDDWMXJAMZCP-HXUWFJFHSA-N 1 3 367.497 2.873 20 0 FFADHO CCCN(C(=O)NCc1ccc(Nc2ccncc2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC001233780596 1036760551 /nfs/dbraw/zinc/76/05/51/1036760551.db2.gz NTEDDWMXJAMZCP-HXUWFJFHSA-N 1 3 367.497 2.873 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC001229587379 1036765230 /nfs/dbraw/zinc/76/52/30/1036765230.db2.gz BLOVCGJJCXWYPL-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO COCCC[NH+]1CCC(Oc2c(F)cc(CN(C)C)cc2OC)CC1 ZINC001234240485 1036969525 /nfs/dbraw/zinc/96/95/25/1036969525.db2.gz HOVNTVUKDXXLPM-UHFFFAOYSA-N 1 3 354.466 2.776 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCOc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC001207000631 1037040754 /nfs/dbraw/zinc/04/07/54/1037040754.db2.gz IYQHWANWPGEUPL-GFOJFJKKSA-N 1 3 373.541 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCOc3ccccc3)C[C@H]2C)CC[N@H+]1C ZINC001207000631 1037040767 /nfs/dbraw/zinc/04/07/67/1037040767.db2.gz IYQHWANWPGEUPL-GFOJFJKKSA-N 1 3 373.541 2.622 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001230206320 1037150511 /nfs/dbraw/zinc/15/05/11/1037150511.db2.gz HHWKNAXLWNXBAD-IHPCNDPISA-N 1 3 362.562 2.765 20 0 FFADHO COCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)c1 ZINC001230279698 1037191376 /nfs/dbraw/zinc/19/13/76/1037191376.db2.gz FSKHGTZSPWFZHO-WOJBJXKFSA-N 1 3 361.530 2.690 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001207281612 1037309799 /nfs/dbraw/zinc/30/97/99/1037309799.db2.gz FZGNPGYUFJCHDA-GOSISDBHSA-N 1 3 367.488 2.602 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001207281612 1037309811 /nfs/dbraw/zinc/30/98/11/1037309811.db2.gz FZGNPGYUFJCHDA-GOSISDBHSA-N 1 3 367.488 2.602 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@]1(c2ccccc2)CC1(C)C ZINC001230858864 1037381688 /nfs/dbraw/zinc/38/16/88/1037381688.db2.gz PFRNXUCVTWBSPQ-LAUBAEHRSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@]1(c2ccccc2)CC1(C)C ZINC001230858864 1037381695 /nfs/dbraw/zinc/38/16/95/1037381695.db2.gz PFRNXUCVTWBSPQ-LAUBAEHRSA-N 1 3 360.546 2.883 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001230896285 1037399068 /nfs/dbraw/zinc/39/90/68/1037399068.db2.gz MQEVDHPCWUYDNN-OHTSDLOESA-N 1 3 350.551 2.956 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)CC1 ZINC001207483244 1037482845 /nfs/dbraw/zinc/48/28/45/1037482845.db2.gz IVKSUIDLEYWZCJ-XUVXKRRUSA-N 1 3 359.514 2.672 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(Cl)ccc3OC)C[C@@H]1CC[NH2+]CC2 ZINC001235348599 1037495605 /nfs/dbraw/zinc/49/56/05/1037495605.db2.gz DQVURMHGPDGJJM-KXBFYZLASA-N 1 3 366.889 2.713 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001207550547 1037543159 /nfs/dbraw/zinc/54/31/59/1037543159.db2.gz ALVAZYGAPZERPI-IPHXSNPTSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001207550547 1037543177 /nfs/dbraw/zinc/54/31/77/1037543177.db2.gz ALVAZYGAPZERPI-IPHXSNPTSA-N 1 3 355.526 2.841 20 0 FFADHO CN(Cc1ccc(I)cc1F)CC1CC[NH2+]CC1 ZINC001235433508 1037545835 /nfs/dbraw/zinc/54/58/35/1037545835.db2.gz KJNVGNJLVFLTKL-UHFFFAOYSA-N 1 3 362.230 2.862 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]3CCCC3)C2)cc1 ZINC001235485478 1037581768 /nfs/dbraw/zinc/58/17/68/1037581768.db2.gz KWBKPEUQIWKLHV-SFTDATJTSA-N 1 3 372.557 2.989 20 0 FFADHO N[C@H](Cc1ccccc1)C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001235495040 1037586771 /nfs/dbraw/zinc/58/67/71/1037586771.db2.gz VOVYNHUIDMVRPL-OAQYLSRUSA-N 1 3 369.509 2.516 20 0 FFADHO NC(=O)C1CCN(C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)CC1 ZINC001207597889 1037587942 /nfs/dbraw/zinc/58/79/42/1037587942.db2.gz UYRGGOUIWJBYRY-UHFFFAOYSA-N 1 3 363.933 2.934 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC3CCSCC3)CC2)C1 ZINC001207696645 1037661860 /nfs/dbraw/zinc/66/18/60/1037661860.db2.gz JYPPOIQGPMTAKP-QGZVFWFLSA-N 1 3 354.560 2.869 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CC3CCSCC3)CC2)C1 ZINC001207696645 1037661864 /nfs/dbraw/zinc/66/18/64/1037661864.db2.gz JYPPOIQGPMTAKP-QGZVFWFLSA-N 1 3 354.560 2.869 20 0 FFADHO c1ccc(OC2CCN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC2)nc1 ZINC001235695665 1037690939 /nfs/dbraw/zinc/69/09/39/1037690939.db2.gz YJSRIYIFEJOQSV-UHFFFAOYSA-N 1 3 366.509 2.530 20 0 FFADHO COc1ccc(-c2ccccc2)cc1CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236074314 1037917419 /nfs/dbraw/zinc/91/74/19/1037917419.db2.gz XORJQFQFCLFCDI-NRFANRHFSA-N 1 3 351.494 2.970 20 0 FFADHO Cc1cc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)n(-c2ccccc2)n1 ZINC001236100222 1037934332 /nfs/dbraw/zinc/93/43/32/1037934332.db2.gz ABUQIWUCNRZGKL-IBGZPJMESA-N 1 3 353.514 2.692 20 0 FFADHO Fc1cc(-c2ccnc(N3CC[NH2+]CC3)n2)ccc1CN1CCCCC1 ZINC001236235068 1037995835 /nfs/dbraw/zinc/99/58/35/1037995835.db2.gz UDGTWUBNZFDOML-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO CCOC[C@@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cn(CC3CC3)nc21 ZINC001208110452 1038041149 /nfs/dbraw/zinc/04/11/49/1038041149.db2.gz SKJODOWMNWNDQE-IBGZPJMESA-N 1 3 360.546 2.961 20 0 FFADHO Fc1ccc(CN(CCN2CCOCC2)CC2CC[NH2+]CC2)c(Cl)c1 ZINC001236398675 1038070561 /nfs/dbraw/zinc/07/05/61/1038070561.db2.gz IFCXDPBWAKQGJF-UHFFFAOYSA-N 1 3 369.912 2.613 20 0 FFADHO Cc1ccnc(O[C@H]2CCCN(Cc3ccccc3N3CC[NH2+]CC3)C2)c1 ZINC001236533726 1038123135 /nfs/dbraw/zinc/12/31/35/1038123135.db2.gz ZPYUCBKKIFGUTQ-FQEVSTJZSA-N 1 3 366.509 2.843 20 0 FFADHO COc1cccc(OC2CCN(Cc3ccc4c(c3)CC[NH2+]C4)CC2)n1 ZINC001236537683 1038125087 /nfs/dbraw/zinc/12/50/87/1038125087.db2.gz ZPSYIZKRSPTSDK-UHFFFAOYSA-N 1 3 353.466 2.779 20 0 FFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001255903214 1038236811 /nfs/dbraw/zinc/23/68/11/1038236811.db2.gz GVOSZKFFFXGQCZ-KZNAEPCWSA-N 1 3 367.534 2.619 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CC[C@@H]([N@H+](C)C3CC3)C2)CC1 ZINC001255937889 1038263954 /nfs/dbraw/zinc/26/39/54/1038263954.db2.gz PTLBVYNMXRGJKU-LJQANCHMSA-N 1 3 373.541 2.837 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CC[C@@H]([N@@H+](C)C3CC3)C2)CC1 ZINC001255937889 1038263968 /nfs/dbraw/zinc/26/39/68/1038263968.db2.gz PTLBVYNMXRGJKU-LJQANCHMSA-N 1 3 373.541 2.837 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255940822 1038265702 /nfs/dbraw/zinc/26/57/02/1038265702.db2.gz HAZMCTPQSOWSLA-GOSISDBHSA-N 1 3 370.582 2.639 20 0 FFADHO CCOC(=O)N1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001256020734 1038315705 /nfs/dbraw/zinc/31/57/05/1038315705.db2.gz DMUJZDYVTYYPNY-GOSISDBHSA-N 1 3 363.477 2.858 20 0 FFADHO CCO[C@@H]1C[C@H]2CN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCN2C1 ZINC001208585787 1038429071 /nfs/dbraw/zinc/42/90/71/1038429071.db2.gz WVBRKJJFEZIMAR-FDFHNCONSA-N 1 3 357.542 2.836 20 0 FFADHO CCO[C@@H]1C[C@H]2CN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)CCN2C1 ZINC001208585787 1038429076 /nfs/dbraw/zinc/42/90/76/1038429076.db2.gz WVBRKJJFEZIMAR-FDFHNCONSA-N 1 3 357.542 2.836 20 0 FFADHO CC[NH+]1CCC(CN2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001208595565 1038433301 /nfs/dbraw/zinc/43/33/01/1038433301.db2.gz VBQVIEKWTIBOEK-UHFFFAOYSA-N 1 3 356.436 2.954 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2ccc(F)cc2F)C2CC2)CC[N@@H+]1C ZINC001276590005 1038542527 /nfs/dbraw/zinc/54/25/27/1038542527.db2.gz UNVOZDFTPKAWBF-YTQUADARSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2ccc(F)cc2F)C2CC2)CC[N@H+]1C ZINC001276590005 1038542533 /nfs/dbraw/zinc/54/25/33/1038542533.db2.gz UNVOZDFTPKAWBF-YTQUADARSA-N 1 3 365.468 2.680 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536494 1038549636 /nfs/dbraw/zinc/54/96/36/1038549636.db2.gz HXYWGGOSQNDYRV-TZMRYXNNSA-N 1 3 374.525 2.722 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536494 1038549642 /nfs/dbraw/zinc/54/96/42/1038549642.db2.gz HXYWGGOSQNDYRV-TZMRYXNNSA-N 1 3 374.525 2.722 20 0 FFADHO COc1ccc2c(CC[NH3+])cn(C3CCC(N4CCOCC4)CC3)c2c1 ZINC001256684906 1038601214 /nfs/dbraw/zinc/60/12/14/1038601214.db2.gz VVAMVTFNVMQHPM-UHFFFAOYSA-N 1 3 357.498 2.967 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H](CN2CCC([N@H+](CC)[C@H]3CCOC3)CC2)CC1 ZINC001209004962 1038626889 /nfs/dbraw/zinc/62/68/89/1038626889.db2.gz UXFPXBUEOXNTMA-BJLQDIEVSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H](CN2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)CC1 ZINC001209004962 1038626891 /nfs/dbraw/zinc/62/68/91/1038626891.db2.gz UXFPXBUEOXNTMA-BJLQDIEVSA-N 1 3 366.546 2.931 20 0 FFADHO CC(C)N1CCC([N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001257223776 1038750199 /nfs/dbraw/zinc/75/01/99/1038750199.db2.gz ZMZVWPPPKFYUBX-FQEVSTJZSA-N 1 3 367.534 2.571 20 0 FFADHO CC(C)N1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 ZINC001257223776 1038750205 /nfs/dbraw/zinc/75/02/05/1038750205.db2.gz ZMZVWPPPKFYUBX-FQEVSTJZSA-N 1 3 367.534 2.571 20 0 FFADHO CN1CCC[C@@H]1CC[NH2+]C[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001250919309 1038814295 /nfs/dbraw/zinc/81/42/95/1038814295.db2.gz KCFRZPMXIMOESF-ZIAGYGMSSA-N 1 3 361.313 2.945 20 0 FFADHO CN1CCC[C@H]1CC[NH2+]C[C@H](O)COCc1c(Cl)cccc1Cl ZINC001250919301 1038814411 /nfs/dbraw/zinc/81/44/11/1038814411.db2.gz KCFRZPMXIMOESF-KBPBESRZSA-N 1 3 361.313 2.945 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC3CCC(OC)CC3)CC2)C1 ZINC001209397123 1038828810 /nfs/dbraw/zinc/82/88/10/1038828810.db2.gz QEYBWKCQUVTJOI-QPIRBTGLSA-N 1 3 366.546 2.931 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CC3CCC(OC)CC3)CC2)C1 ZINC001209397123 1038828836 /nfs/dbraw/zinc/82/88/36/1038828836.db2.gz QEYBWKCQUVTJOI-QPIRBTGLSA-N 1 3 366.546 2.931 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)CC1 ZINC001258002485 1039103548 /nfs/dbraw/zinc/10/35/48/1039103548.db2.gz MYOAAOJLRVQLSI-LJQANCHMSA-N 1 3 369.513 2.554 20 0 FFADHO CC(C)CN1CCC([NH2+]CCO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258008308 1039108067 /nfs/dbraw/zinc/10/80/67/1039108067.db2.gz LYIOEDXGRYINES-SFHVURJKSA-N 1 3 369.550 2.722 20 0 FFADHO Cc1cc(F)cc(C)c1C[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001245985186 1039176866 /nfs/dbraw/zinc/17/68/66/1039176866.db2.gz ZRDPOMDOHLXKLT-RBUKOAKNSA-N 1 3 352.400 2.741 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@H](O)COCc1c(Cl)cccc1Cl ZINC001245983796 1039177180 /nfs/dbraw/zinc/17/71/80/1039177180.db2.gz ONTBHNLDMYAAKE-IHRRRGAJSA-N 1 3 361.313 2.849 20 0 FFADHO CCc1cc2c(cc1CC)CC(NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001245998495 1039182537 /nfs/dbraw/zinc/18/25/37/1039182537.db2.gz SZLUQLKMJXVHMJ-XZOQPEGZSA-N 1 3 352.522 2.799 20 0 FFADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCCc1ccc(F)cc1Cl ZINC001245995545 1039182990 /nfs/dbraw/zinc/18/29/90/1039182990.db2.gz CHDFZTNWCLEIDT-ZWKOTPCHSA-N 1 3 372.818 2.820 20 0 FFADHO C[C@@H]1CCN(C[C@@H](O)COCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC001246024452 1039198798 /nfs/dbraw/zinc/19/87/98/1039198798.db2.gz VTABWCSKWAHVEJ-MGPQQGTHSA-N 1 3 361.313 2.788 20 0 FFADHO C[C@@H]1CCN(C[C@H](O)COCc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC001246024450 1039200772 /nfs/dbraw/zinc/20/07/72/1039200772.db2.gz VTABWCSKWAHVEJ-MCIONIFRSA-N 1 3 361.313 2.788 20 0 FFADHO O[C@@]1(C[NH+]2CCC(c3cccc(Br)c3)CC2)CCCNC1 ZINC001246050005 1039219736 /nfs/dbraw/zinc/21/97/36/1039219736.db2.gz UOZNCLAEYDTUBE-KRWDZBQOSA-N 1 3 353.304 2.743 20 0 FFADHO CN(C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1(C)CC[NH2+]CC1 ZINC001246067922 1039234782 /nfs/dbraw/zinc/23/47/82/1039234782.db2.gz VTUWUUOIFRQZLS-GOSISDBHSA-N 1 3 362.514 2.576 20 0 FFADHO C[N@H+](C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1(C)CCNCC1 ZINC001246067922 1039234790 /nfs/dbraw/zinc/23/47/90/1039234790.db2.gz VTUWUUOIFRQZLS-GOSISDBHSA-N 1 3 362.514 2.576 20 0 FFADHO C[N@@H+](C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1)C1(C)CCNCC1 ZINC001246067922 1039234801 /nfs/dbraw/zinc/23/48/01/1039234801.db2.gz VTUWUUOIFRQZLS-GOSISDBHSA-N 1 3 362.514 2.576 20 0 FFADHO COc1cccc(OC)c1CN1CCC(NC[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246106023 1039244260 /nfs/dbraw/zinc/24/42/60/1039244260.db2.gz COEDCDUFZYRIHT-SJLPKXTDSA-N 1 3 361.530 2.646 20 0 FFADHO COc1cccc(OC)c1CN1CCC([NH2+]C[C@H]2CC[C@@H](C)CN2)CC1 ZINC001246106023 1039244274 /nfs/dbraw/zinc/24/42/74/1039244274.db2.gz COEDCDUFZYRIHT-SJLPKXTDSA-N 1 3 361.530 2.646 20 0 FFADHO C[C@H](Cc1ccco1)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258172849 1039248140 /nfs/dbraw/zinc/24/81/40/1039248140.db2.gz TYSMIZISXGUWSQ-MJGOQNOKSA-N 1 3 369.509 2.615 20 0 FFADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CCN2)cc1 ZINC001246171474 1039264446 /nfs/dbraw/zinc/26/44/46/1039264446.db2.gz QIUOYHQDTPHWJS-FCHUYYIVSA-N 1 3 371.569 2.974 20 0 FFADHO C[C@@H]([NH3+])CCN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246304257 1039305845 /nfs/dbraw/zinc/30/58/45/1039305845.db2.gz KUIRVZOIUOKBHL-FPCVCCKLSA-N 1 3 370.534 2.782 20 0 FFADHO CCn1c2ccccc2nc1N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246403967 1039341181 /nfs/dbraw/zinc/34/11/81/1039341181.db2.gz GHSFHMTUAHUZRV-KTGAGVNESA-N 1 3 353.514 2.898 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246410717 1039343582 /nfs/dbraw/zinc/34/35/82/1039343582.db2.gz KWFMUWZJZCFVIU-GRUVHVDGSA-N 1 3 368.562 2.847 20 0 FFADHO COc1ccccc1CC1([NH2+][C@@H]2CCN[C@H](C(F)(F)F)C2)CCNCC1 ZINC001246426506 1039350684 /nfs/dbraw/zinc/35/06/84/1039350684.db2.gz QLTIKBWKKDSKGM-WBVHZDCISA-N 1 3 371.447 2.632 20 0 FFADHO COc1ccccc1CC1(N[C@@H]2CCN[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246426506 1039350693 /nfs/dbraw/zinc/35/06/93/1039350693.db2.gz QLTIKBWKKDSKGM-WBVHZDCISA-N 1 3 371.447 2.632 20 0 FFADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246458823 1039361293 /nfs/dbraw/zinc/36/12/93/1039361293.db2.gz CHLMFWIDLNRYEE-NWQZBTRTSA-N 1 3 356.510 2.917 20 0 FFADHO CC(C)N1CCC([NH2+]CCCC[C@@H](N)C(=O)OCc2ccccc2)CC1 ZINC001246484413 1039365961 /nfs/dbraw/zinc/36/59/61/1039365961.db2.gz GQNZTYCMMKEMAQ-HXUWFJFHSA-N 1 3 361.530 2.690 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@H]1C ZINC001210179153 1039421965 /nfs/dbraw/zinc/42/19/65/1039421965.db2.gz JNSWHVNKBIZLAL-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1C ZINC001210179153 1039421973 /nfs/dbraw/zinc/42/19/73/1039421973.db2.gz JNSWHVNKBIZLAL-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1C[C@H](N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)CC[NH2+]1 ZINC001246754359 1039465726 /nfs/dbraw/zinc/46/57/26/1039465726.db2.gz IIEDQWAFCVCQAZ-BHIYHBOVSA-N 1 3 364.484 2.755 20 0 FFADHO CC(C)[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753891 1039465764 /nfs/dbraw/zinc/46/57/64/1039465764.db2.gz DMTPMEUXNXYDLJ-XRXFAXGQSA-N 1 3 350.547 2.918 20 0 FFADHO CC(C)[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753891 1039465772 /nfs/dbraw/zinc/46/57/72/1039465772.db2.gz DMTPMEUXNXYDLJ-XRXFAXGQSA-N 1 3 350.547 2.918 20 0 FFADHO CC(C)[C@@H]1C[C@@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246769585 1039473744 /nfs/dbraw/zinc/47/37/44/1039473744.db2.gz JOWDIAKUCHMYEE-OALUTQOASA-N 1 3 359.562 2.898 20 0 FFADHO C[N@@H+]1CCC[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246805893 1039487246 /nfs/dbraw/zinc/48/72/46/1039487246.db2.gz KVEVCSUMGNKASS-IRXDYDNUSA-N 1 3 352.320 2.880 20 0 FFADHO C[N@H+]1CCC[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246805893 1039487252 /nfs/dbraw/zinc/48/72/52/1039487252.db2.gz KVEVCSUMGNKASS-IRXDYDNUSA-N 1 3 352.320 2.880 20 0 FFADHO Clc1ccc([C@H]2C[NH2+]CCN2C2CCC(N3CCOCC3)CC2)cc1 ZINC001246814034 1039490976 /nfs/dbraw/zinc/49/09/76/1039490976.db2.gz SFCNEVAGXBCVJZ-SOAGJPPSSA-N 1 3 363.933 2.930 20 0 FFADHO CCOc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001278667937 1039549519 /nfs/dbraw/zinc/54/95/19/1039549519.db2.gz AZGUEMDKJMRMHN-ROUUACIJSA-N 1 3 351.922 2.949 20 0 FFADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)Cc1ccccc1 ZINC001252855807 1039742474 /nfs/dbraw/zinc/74/24/74/1039742474.db2.gz KWNLCNPSTCSRJR-UHFFFAOYSA-N 1 3 369.575 2.502 20 0 FFADHO FC(F)(F)c1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1Cl ZINC001247828241 1039975583 /nfs/dbraw/zinc/97/55/83/1039975583.db2.gz BUSMASLRUSUUGL-SNVBAGLBSA-N 1 3 358.751 2.685 20 0 FFADHO FC(F)(F)c1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c(Cl)c1 ZINC001247830321 1039976692 /nfs/dbraw/zinc/97/66/92/1039976692.db2.gz MTYSTEJYNVQKDV-SNVBAGLBSA-N 1 3 358.751 2.685 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCC1 ZINC001211366601 1040107505 /nfs/dbraw/zinc/10/75/05/1040107505.db2.gz FTJAWVGYWWOTMV-NXHRZFHOSA-N 1 3 371.516 2.979 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCC1 ZINC001211366601 1040107517 /nfs/dbraw/zinc/10/75/17/1040107517.db2.gz FTJAWVGYWWOTMV-NXHRZFHOSA-N 1 3 371.516 2.979 20 0 FFADHO O[C@@H](CN1CCC(COCC[NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC001253343682 1040120807 /nfs/dbraw/zinc/12/08/07/1040120807.db2.gz LUOTXUQMQRKLNC-FQEVSTJZSA-N 1 3 368.468 2.823 20 0 FFADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001253404702 1040156505 /nfs/dbraw/zinc/15/65/05/1040156505.db2.gz CVOJWKKFFMHABE-ULQDDVLXSA-N 1 3 371.566 2.656 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]CCCN2CCCC2)cc1 ZINC001253413495 1040160971 /nfs/dbraw/zinc/16/09/71/1040160971.db2.gz KMHMHIUASYLLQU-LJQANCHMSA-N 1 3 362.514 2.577 20 0 FFADHO Cn1ccc(-c2ccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cc2)n1 ZINC001248767779 1040408068 /nfs/dbraw/zinc/40/80/68/1040408068.db2.gz VYJMMBBEUUWVKY-UHFFFAOYSA-N 1 3 367.541 2.547 20 0 FFADHO OCC[N@H+](Cc1ccccc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029623 1040529740 /nfs/dbraw/zinc/52/97/40/1040529740.db2.gz JKMKBZHVPHMJBC-UHFFFAOYSA-N 1 3 354.494 2.508 20 0 FFADHO OCC[N@@H+](Cc1ccccc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029623 1040529754 /nfs/dbraw/zinc/52/97/54/1040529754.db2.gz JKMKBZHVPHMJBC-UHFFFAOYSA-N 1 3 354.494 2.508 20 0 FFADHO OC1(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254039437 1040542676 /nfs/dbraw/zinc/54/26/76/1040542676.db2.gz GNUPXYMLFYOUOY-NRFANRHFSA-N 1 3 367.493 2.562 20 0 FFADHO OC1(C[N@H+]2CC[C@H](Oc3ccncc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254039437 1040542692 /nfs/dbraw/zinc/54/26/92/1040542692.db2.gz GNUPXYMLFYOUOY-NRFANRHFSA-N 1 3 367.493 2.562 20 0 FFADHO N=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC001254051297 1040552708 /nfs/dbraw/zinc/55/27/08/1040552708.db2.gz GXYPGWXNRXNNLW-UHFFFAOYSA-N 1 3 358.873 2.677 20 0 FFADHO OC1(C[NH2+]Cc2ccc3ocnc3c2)CCN(Cc2ccccc2)CC1 ZINC001254051210 1040552930 /nfs/dbraw/zinc/55/29/30/1040552930.db2.gz BQYOYMDWUIZYJR-UHFFFAOYSA-N 1 3 351.450 2.945 20 0 FFADHO CC(C)N1CCN(CC[NH2+][C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254266518 1040650677 /nfs/dbraw/zinc/65/06/77/1040650677.db2.gz LVLKIHXWQUKVNF-SFHVURJKSA-N 1 3 366.347 2.532 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@@H]3CCC[N@@H+](C)CC3)C[C@H]12 ZINC001254520923 1040776409 /nfs/dbraw/zinc/77/64/09/1040776409.db2.gz GCKSPFFJXHTRDM-FSSWDIPSSA-N 1 3 355.526 2.735 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@@H]3CCC[N@H+](C)CC3)C[C@H]12 ZINC001254520923 1040776416 /nfs/dbraw/zinc/77/64/16/1040776416.db2.gz GCKSPFFJXHTRDM-FSSWDIPSSA-N 1 3 355.526 2.735 20 0 FFADHO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H](OC)C1 ZINC001213702230 1040811033 /nfs/dbraw/zinc/81/10/33/1040811033.db2.gz FXQOUAIMSZBGGW-CEXWTWQISA-N 1 3 353.551 2.647 20 0 FFADHO CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H](OC)C1 ZINC001213702230 1040811044 /nfs/dbraw/zinc/81/10/44/1040811044.db2.gz FXQOUAIMSZBGGW-CEXWTWQISA-N 1 3 353.551 2.647 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254691721 1040885628 /nfs/dbraw/zinc/88/56/28/1040885628.db2.gz WGCDQICEIUCUKX-BZUAXINKSA-N 1 3 369.575 2.944 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254691721 1040885643 /nfs/dbraw/zinc/88/56/43/1040885643.db2.gz WGCDQICEIUCUKX-BZUAXINKSA-N 1 3 369.575 2.944 20 0 FFADHO C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)cc1 ZINC001278819931 1041018079 /nfs/dbraw/zinc/01/80/79/1041018079.db2.gz VWTFCVNRYUABKV-SFTDATJTSA-N 1 3 368.601 2.777 20 0 FFADHO C[Si](C)(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)cc1 ZINC001278819931 1041018090 /nfs/dbraw/zinc/01/80/90/1041018090.db2.gz VWTFCVNRYUABKV-SFTDATJTSA-N 1 3 368.601 2.777 20 0 FFADHO c1ccc(CN2CCC[C@H]([N@@H+]3CC[C@@H](Oc4ncccn4)C3)CC2)cc1 ZINC001255410422 1041328384 /nfs/dbraw/zinc/32/83/84/1041328384.db2.gz WTRWZNGCHGSJPE-VQTJNVASSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@H]([N@H+]3CC[C@@H](Oc4ncccn4)C3)CC2)cc1 ZINC001255410422 1041328392 /nfs/dbraw/zinc/32/83/92/1041328392.db2.gz WTRWZNGCHGSJPE-VQTJNVASSA-N 1 3 352.482 2.984 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1cccc(F)c1 ZINC001250822935 1041385545 /nfs/dbraw/zinc/38/55/45/1041385545.db2.gz VLVTVQOHTZQZFV-QUCCMNQESA-N 1 3 358.457 2.677 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc(F)c1 ZINC001250822935 1041385555 /nfs/dbraw/zinc/38/55/55/1041385555.db2.gz VLVTVQOHTZQZFV-QUCCMNQESA-N 1 3 358.457 2.677 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001214850636 1041593574 /nfs/dbraw/zinc/59/35/74/1041593574.db2.gz ZQMOSBAJFRXCJK-QLFBSQMISA-N 1 3 362.345 2.720 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001214850636 1041593579 /nfs/dbraw/zinc/59/35/79/1041593579.db2.gz ZQMOSBAJFRXCJK-QLFBSQMISA-N 1 3 362.345 2.720 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC001214855268 1041595735 /nfs/dbraw/zinc/59/57/35/1041595735.db2.gz BHCAMHNSPNMOKP-YSGRDPCXSA-N 1 3 361.505 2.535 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001214996756 1041638680 /nfs/dbraw/zinc/63/86/80/1041638680.db2.gz CNSLFFQYHIKQKO-DNVCBOLYSA-N 1 3 356.514 2.835 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001214997277 1041638915 /nfs/dbraw/zinc/63/89/15/1041638915.db2.gz HEONPZVYXRRVHE-NVXWUHKLSA-N 1 3 351.560 2.848 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001214998389 1041639690 /nfs/dbraw/zinc/63/96/90/1041639690.db2.gz WCYRSUFLOQAJEA-MGPQQGTHSA-N 1 3 364.361 2.737 20 0 FFADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1NCC=C(Cl)Cl ZINC001215015214 1041646240 /nfs/dbraw/zinc/64/62/40/1041646240.db2.gz MRMFJQCJNPTKSK-UKRRQHHQSA-N 1 3 371.312 2.663 20 0 FFADHO COCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778324 1041879149 /nfs/dbraw/zinc/87/91/49/1041879149.db2.gz GKTYSTBRUZCLMW-GUDVDZBRSA-N 1 3 353.551 2.503 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCCC)C1 ZINC001215964520 1041918381 /nfs/dbraw/zinc/91/83/81/1041918381.db2.gz DDOSJINCNNJJDT-RTBURBONSA-N 1 3 355.567 2.752 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001215999205 1041927982 /nfs/dbraw/zinc/92/79/82/1041927982.db2.gz VBGAYYOCTPIAGU-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cccc2Cl)C1 ZINC001216002636 1041928795 /nfs/dbraw/zinc/92/87/95/1041928795.db2.gz YMKYXYBKJWJQDB-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cnc(-c3ccccc3)o2)C1 ZINC001216225579 1041983215 /nfs/dbraw/zinc/98/32/15/1041983215.db2.gz HFNDERFDAMEJMJ-VQIMIIECSA-N 1 3 370.497 2.620 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cnc(-c3ccccc3)o2)C1 ZINC001216225579 1041983220 /nfs/dbraw/zinc/98/32/20/1041983220.db2.gz HFNDERFDAMEJMJ-VQIMIIECSA-N 1 3 370.497 2.620 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC001216510839 1042043982 /nfs/dbraw/zinc/04/39/82/1042043982.db2.gz ADADQJJBZURYKP-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO Cc1ccc(NC(=O)c2cc3c(s2)CNCC3)c(OCC[NH+](C)C)c1 ZINC001263100866 1042103840 /nfs/dbraw/zinc/10/38/40/1042103840.db2.gz ATGBOJPAPVXVEW-UHFFFAOYSA-N 1 3 359.495 2.895 20 0 FFADHO [NH3+]Cc1ccccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC001263112188 1042109430 /nfs/dbraw/zinc/10/94/30/1042109430.db2.gz BLZOKUQZNONWMD-UHFFFAOYSA-N 1 3 351.494 2.926 20 0 FFADHO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)CC1 ZINC001263739756 1042459843 /nfs/dbraw/zinc/45/98/43/1042459843.db2.gz ZETWTANSPJBRKD-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CC[C@H]2CC2(Cl)Cl)[C@@H]1C ZINC001264169416 1042649853 /nfs/dbraw/zinc/64/98/53/1042649853.db2.gz HKGLPXMEZBVSMN-ILXRZTDVSA-N 1 3 364.361 2.881 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC[C@H]2CC2(Cl)Cl)[C@@H]1C ZINC001264169416 1042649855 /nfs/dbraw/zinc/64/98/55/1042649855.db2.gz HKGLPXMEZBVSMN-ILXRZTDVSA-N 1 3 364.361 2.881 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)s1 ZINC001264466164 1042682793 /nfs/dbraw/zinc/68/27/93/1042682793.db2.gz SXCRPOOYLGDMOG-JKSUJKDBSA-N 1 3 364.559 2.619 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cncs1 ZINC001264552347 1042712014 /nfs/dbraw/zinc/71/20/14/1042712014.db2.gz UEOKTPMYDQEODH-HLLBOEOZSA-N 1 3 370.538 2.540 20 0 FFADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001264596136 1042732682 /nfs/dbraw/zinc/73/26/82/1042732682.db2.gz JLFIHBRXDVJSIL-VAMGGRTRSA-N 1 3 361.505 2.994 20 0 FFADHO CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001264596136 1042732689 /nfs/dbraw/zinc/73/26/89/1042732689.db2.gz JLFIHBRXDVJSIL-VAMGGRTRSA-N 1 3 361.505 2.994 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264658441 1042775425 /nfs/dbraw/zinc/77/54/25/1042775425.db2.gz MORNLKKMLPSGCG-CEXWTWQISA-N 1 3 353.526 2.781 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001264716808 1042798268 /nfs/dbraw/zinc/79/82/68/1042798268.db2.gz YORSQTWSBMZCEF-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001264716808 1042798271 /nfs/dbraw/zinc/79/82/71/1042798271.db2.gz YORSQTWSBMZCEF-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO c1n[nH]cc1C[N@H+]1CCC2(C1)CCN(Cc1scc3c1OCCO3)CC2 ZINC001279134260 1042913531 /nfs/dbraw/zinc/91/35/31/1042913531.db2.gz GHVXPQVHXXJPBA-UHFFFAOYSA-N 1 3 374.510 2.731 20 0 FFADHO c1n[nH]cc1C[N@@H+]1CCC2(C1)CCN(Cc1scc3c1OCCO3)CC2 ZINC001279134260 1042913534 /nfs/dbraw/zinc/91/35/34/1042913534.db2.gz GHVXPQVHXXJPBA-UHFFFAOYSA-N 1 3 374.510 2.731 20 0 FFADHO Cc1cc(CN2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)cc(C)c1F ZINC001279149066 1042919934 /nfs/dbraw/zinc/91/99/34/1042919934.db2.gz YBFFAMGUXOOLAB-OAQYLSRUSA-N 1 3 363.521 2.671 20 0 FFADHO COc1ccc(F)c(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)c1Cl ZINC001279150792 1042920997 /nfs/dbraw/zinc/92/09/97/1042920997.db2.gz PYKZOQXMKDPOQM-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC001279174342 1042932250 /nfs/dbraw/zinc/93/22/50/1042932250.db2.gz VYTKXRIEHQXDSJ-OAQYLSRUSA-N 1 3 359.514 2.655 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC001279174342 1042932251 /nfs/dbraw/zinc/93/22/51/1042932251.db2.gz VYTKXRIEHQXDSJ-OAQYLSRUSA-N 1 3 359.514 2.655 20 0 FFADHO Cc1cc(CN2CC3(C2)CCN(CCC[NH+]2CCCCC2)CC3)n(C)n1 ZINC001279275518 1042979092 /nfs/dbraw/zinc/97/90/92/1042979092.db2.gz SBHZZYPRPOAEGA-UHFFFAOYSA-N 1 3 359.562 2.502 20 0 FFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cc(Br)c[nH]3)(C1)CCC2 ZINC001279286234 1042983430 /nfs/dbraw/zinc/98/34/30/1042983430.db2.gz HTDXTDWAFJHCSQ-DLBZAZTESA-N 1 3 369.351 2.863 20 0 FFADHO Cc1sc2ccccc2c1CN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001279301649 1042991444 /nfs/dbraw/zinc/99/14/44/1042991444.db2.gz XHJWSULMWPFMOI-CALCHBBNSA-N 1 3 359.539 2.656 20 0 FFADHO Cc1cc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(F)nc2)CC3)n(C)n1 ZINC001279411055 1043074375 /nfs/dbraw/zinc/07/43/75/1043074375.db2.gz QBAKSMOOTXOQNO-UHFFFAOYSA-N 1 3 357.477 2.751 20 0 FFADHO Cc1cc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(F)nc2)CC3)n(C)n1 ZINC001279411055 1043074383 /nfs/dbraw/zinc/07/43/83/1043074383.db2.gz QBAKSMOOTXOQNO-UHFFFAOYSA-N 1 3 357.477 2.751 20 0 FFADHO CCOC(=O)[C@H]1CN(CCc2ccccc2C(F)(F)F)CCC12C[NH2+]C2 ZINC001237410202 1043145779 /nfs/dbraw/zinc/14/57/79/1043145779.db2.gz KCYPLALNJFJDJM-MRXNPFEDSA-N 1 3 370.415 2.723 20 0 FFADHO C[NH+]1CCC(C)(CN2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)CC1 ZINC001279477094 1043161482 /nfs/dbraw/zinc/16/14/82/1043161482.db2.gz GIRXQUGODOOTER-HDICACEKSA-N 1 3 361.555 2.698 20 0 FFADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCc1ccccc1OC ZINC001278122242 1043273388 /nfs/dbraw/zinc/27/33/88/1043273388.db2.gz BYEOOCKEVMSSAS-IHWFROFDSA-N 1 3 362.514 2.833 20 0 FFADHO CCn1ccnc1CN1CC[C@]2(C1)CCCN(CC(C)(C)C[NH+](C)C)C2 ZINC001279592597 1043307433 /nfs/dbraw/zinc/30/74/33/1043307433.db2.gz ZUNIYWHJWFLRJA-NRFANRHFSA-N 1 3 361.578 2.779 20 0 FFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1N1CCCCC1 ZINC001279604954 1043329320 /nfs/dbraw/zinc/32/93/20/1043329320.db2.gz WCBATAAMDGBSRY-OYRHEFFESA-N 1 3 356.558 2.887 20 0 FFADHO CCCn1ncc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1C ZINC001279608410 1043332787 /nfs/dbraw/zinc/33/27/87/1043332787.db2.gz ITINUIUQFRWJNI-UHFFFAOYSA-N 1 3 361.578 2.841 20 0 FFADHO CCCn1ncc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1C ZINC001279608410 1043332796 /nfs/dbraw/zinc/33/27/96/1043332796.db2.gz ITINUIUQFRWJNI-UHFFFAOYSA-N 1 3 361.578 2.841 20 0 FFADHO C[C@H](CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12)C(F)(F)F ZINC001278153307 1043393806 /nfs/dbraw/zinc/39/38/06/1043393806.db2.gz XYGYYBNRUPTPAY-FVQBIDKESA-N 1 3 373.463 2.640 20 0 FFADHO C[C@H](CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12)C(F)(F)F ZINC001278153307 1043393816 /nfs/dbraw/zinc/39/38/16/1043393816.db2.gz XYGYYBNRUPTPAY-FVQBIDKESA-N 1 3 373.463 2.640 20 0 FFADHO COc1cc(O)ccc1CN1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001279679363 1043454251 /nfs/dbraw/zinc/45/42/51/1043454251.db2.gz FNOJMMOVCZCDBA-OAQYLSRUSA-N 1 3 361.530 2.640 20 0 FFADHO COc1cc(O)ccc1CN1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001279679363 1043454252 /nfs/dbraw/zinc/45/42/52/1043454252.db2.gz FNOJMMOVCZCDBA-OAQYLSRUSA-N 1 3 361.530 2.640 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1)[NH+]1CCCC1 ZINC001316598173 1043539847 /nfs/dbraw/zinc/53/98/47/1043539847.db2.gz YVXQFAIEOPTVBG-KZNAEPCWSA-N 1 3 364.559 2.781 20 0 FFADHO C[C@H]1C[C@@H]1CN1CCC([NH+]2CCC(C(=O)N3CCCC34CC4)CC2)CC1 ZINC001279826282 1043722964 /nfs/dbraw/zinc/72/29/64/1043722964.db2.gz KLZJAFONPWMTBX-PKOBYXMFSA-N 1 3 359.558 2.974 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCCN(CCc1ccc(F)cc1Cl)C2 ZINC001278238658 1043735232 /nfs/dbraw/zinc/73/52/32/1043735232.db2.gz OMUPDLRCVWXRGF-UHFFFAOYSA-N 1 3 353.913 2.981 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC001312146981 1044054658 /nfs/dbraw/zinc/05/46/58/1044054658.db2.gz IFISZYORPFMNJJ-IHPCNDPISA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC001312146981 1044054667 /nfs/dbraw/zinc/05/46/67/1044054667.db2.gz IFISZYORPFMNJJ-IHPCNDPISA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CCC([NH+](C)C)CC2)c(C)c1 ZINC001279993172 1044055078 /nfs/dbraw/zinc/05/50/78/1044055078.db2.gz OMJZCFYOOONECI-KNQAVFIVSA-N 1 3 355.526 2.820 20 0 FFADHO Cc1cccc(C)c1CN1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001280014226 1044086502 /nfs/dbraw/zinc/08/65/02/1044086502.db2.gz BXOSRGAFFPRJIY-PGRDOPGGSA-N 1 3 355.526 2.820 20 0 FFADHO c1[nH]c2ccccc2c1CCN1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC001280224379 1044419938 /nfs/dbraw/zinc/41/99/38/1044419938.db2.gz QKYKTJZMKSMOAH-BGYRXZFFSA-N 1 3 352.526 2.955 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313858645 1044431529 /nfs/dbraw/zinc/43/15/29/1044431529.db2.gz BPEPGANLXODNNV-SQNIBIBYSA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@@H]2CCC[N@@H+]2CC)C[C@H]1C ZINC001313870229 1044435380 /nfs/dbraw/zinc/43/53/80/1044435380.db2.gz ZDWAQZIJKQJLRF-AOIWGVFYSA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2C[C@@H]2CCC[N@H+]2CC)C[C@H]1C ZINC001313870229 1044435387 /nfs/dbraw/zinc/43/53/87/1044435387.db2.gz ZDWAQZIJKQJLRF-AOIWGVFYSA-N 1 3 374.577 2.949 20 0 FFADHO CCCC[C@H](CC)C[N@@H+]1CCC2(CN(CCCN3CCN(C)CC3)C2)C1 ZINC001280246078 1044461676 /nfs/dbraw/zinc/46/16/76/1044461676.db2.gz PHTMIHJLIBMWOF-NRFANRHFSA-N 1 3 364.622 2.848 20 0 FFADHO CCCC[C@H](CC)C[N@H+]1CCC2(CN(CCCN3CCN(C)CC3)C2)C1 ZINC001280246078 1044461680 /nfs/dbraw/zinc/46/16/80/1044461680.db2.gz PHTMIHJLIBMWOF-NRFANRHFSA-N 1 3 364.622 2.848 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC(C(=O)N3CC(F)(C4CC4)C3)CC2)CC1 ZINC001280246462 1044463077 /nfs/dbraw/zinc/46/30/77/1044463077.db2.gz ZGEPGVNLOIPHKL-UHFFFAOYSA-N 1 3 365.537 2.779 20 0 FFADHO Cc1oncc1C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001316717844 1044561320 /nfs/dbraw/zinc/56/13/20/1044561320.db2.gz QMNYCIFMXMKYQD-VQIMIIECSA-N 1 3 364.534 2.820 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCc2ccc(F)c(F)c2)C1 ZINC001316703771 1044580139 /nfs/dbraw/zinc/58/01/39/1044580139.db2.gz KETOJYUBOCFDEZ-ZBFHGGJFSA-N 1 3 353.457 2.633 20 0 FFADHO Fc1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1CN1CCCCC1 ZINC001241900029 1044631833 /nfs/dbraw/zinc/63/18/33/1044631833.db2.gz SEVLDTARKDGIBH-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO CC(C)[C@H](C(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1C)[NH+]1CCCCC1 ZINC001316799779 1045022148 /nfs/dbraw/zinc/02/21/48/1045022148.db2.gz IKMUWULPEMZMDY-YZGWKJHDSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@H](CNCc1ccc(Cl)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319462361 1045158383 /nfs/dbraw/zinc/15/83/83/1045158383.db2.gz VRJNNGFEURCBSF-UMVBOHGHSA-N 1 3 355.885 2.756 20 0 FFADHO C[C@H](CNCc1ccc(Cl)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319462361 1045158391 /nfs/dbraw/zinc/15/83/91/1045158391.db2.gz VRJNNGFEURCBSF-UMVBOHGHSA-N 1 3 355.885 2.756 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CCNCc2cnc(C)o2)CC[N@@H+]1C ZINC001319749422 1045261798 /nfs/dbraw/zinc/26/17/98/1045261798.db2.gz FXBHVLDKWASUKM-YTQUADARSA-N 1 3 362.518 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CCNCc2cnc(C)o2)CC[N@H+]1C ZINC001319749422 1045261808 /nfs/dbraw/zinc/26/18/08/1045261808.db2.gz FXBHVLDKWASUKM-YTQUADARSA-N 1 3 362.518 2.574 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc4c(c3)CCC4)CC2)CC1 ZINC001324981021 1046319295 /nfs/dbraw/zinc/31/92/95/1046319295.db2.gz ZHHYYDUPUXUMRH-UHFFFAOYSA-N 1 3 370.541 2.533 20 0 FFADHO CO[C@H](CN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C)C1CCCC1 ZINC001284533218 1046565588 /nfs/dbraw/zinc/56/55/88/1046565588.db2.gz HRBGGAXFKOYVKP-MISYRCLQSA-N 1 3 367.578 2.701 20 0 FFADHO CO[C@H](CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C)C1CCCC1 ZINC001284533218 1046565603 /nfs/dbraw/zinc/56/56/03/1046565603.db2.gz HRBGGAXFKOYVKP-MISYRCLQSA-N 1 3 367.578 2.701 20 0 FFADHO CC[C@@]1(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)CC[NH2+]C1 ZINC001326818217 1047100982 /nfs/dbraw/zinc/10/09/82/1047100982.db2.gz ZQEHUMOCUKYYBG-OAQYLSRUSA-N 1 3 358.530 2.854 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001540387484 1070869368 /nfs/dbraw/zinc/86/93/68/1070869368.db2.gz KNOQFBOMLZDWKB-HKBOAZHASA-N 1 3 351.494 2.751 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001540387484 1070869391 /nfs/dbraw/zinc/86/93/91/1070869391.db2.gz KNOQFBOMLZDWKB-HKBOAZHASA-N 1 3 351.494 2.751 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001327830527 1048059825 /nfs/dbraw/zinc/05/98/25/1048059825.db2.gz DQVDFXDTWDJHTB-RTBURBONSA-N 1 3 362.518 2.758 20 0 FFADHO CCOC(=O)c1cc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001332435951 1048393590 /nfs/dbraw/zinc/39/35/90/1048393590.db2.gz LIGDNNNCEWIQRX-AEFFLSMTSA-N 1 3 370.497 2.977 20 0 FFADHO CCOC(=O)c1cc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC001332435951 1048393603 /nfs/dbraw/zinc/39/36/03/1048393603.db2.gz LIGDNNNCEWIQRX-AEFFLSMTSA-N 1 3 370.497 2.977 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001291638703 1048774757 /nfs/dbraw/zinc/77/47/57/1048774757.db2.gz JUZFRSZYDCJCHX-KRWDZBQOSA-N 1 3 374.577 2.808 20 0 FFADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1(NC2CC2)CCC1 ZINC001330969660 1049417994 /nfs/dbraw/zinc/41/79/94/1049417994.db2.gz JSESCRPZHOKMHB-IBGZPJMESA-N 1 3 354.498 2.584 20 0 FFADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1(NC2CC2)CCC1 ZINC001330969660 1049418001 /nfs/dbraw/zinc/41/80/01/1049418001.db2.gz JSESCRPZHOKMHB-IBGZPJMESA-N 1 3 354.498 2.584 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CC3)n2CCC[NH+](CC)CC)C[C@H]1C ZINC001295533822 1049945294 /nfs/dbraw/zinc/94/52/94/1049945294.db2.gz FSFJLLQOSMXAIY-IAGOWNOFSA-N 1 3 362.566 2.806 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001296084400 1050020612 /nfs/dbraw/zinc/02/06/12/1050020612.db2.gz MSNWKCWIWDHVJP-SFHVURJKSA-N 1 3 374.577 2.950 20 0 FFADHO CC[N@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001296084400 1050020618 /nfs/dbraw/zinc/02/06/18/1050020618.db2.gz MSNWKCWIWDHVJP-SFHVURJKSA-N 1 3 374.577 2.950 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ncoc1C1CC[NH2+]CC1 ZINC001340020537 1050432012 /nfs/dbraw/zinc/43/20/12/1050432012.db2.gz QQKCIAYPMHJRDH-GOSISDBHSA-N 1 3 368.481 2.709 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC001303801672 1051450998 /nfs/dbraw/zinc/45/09/98/1051450998.db2.gz PPSFOQZERQXVGC-HFTRVMKXSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001303801672 1051451003 /nfs/dbraw/zinc/45/10/03/1051451003.db2.gz PPSFOQZERQXVGC-HFTRVMKXSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC001303801672 1051451008 /nfs/dbraw/zinc/45/10/08/1051451008.db2.gz PPSFOQZERQXVGC-HFTRVMKXSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC001303801672 1051451012 /nfs/dbraw/zinc/45/10/12/1051451012.db2.gz PPSFOQZERQXVGC-HFTRVMKXSA-N 1 3 369.431 2.650 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001341226497 1051587540 /nfs/dbraw/zinc/58/75/40/1051587540.db2.gz RMQQEBCFKPFPCU-JENIJYKNSA-N 1 3 372.561 2.560 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001341226497 1051587556 /nfs/dbraw/zinc/58/75/56/1051587556.db2.gz RMQQEBCFKPFPCU-JENIJYKNSA-N 1 3 372.561 2.560 20 0 FFADHO CNC(=O)CC[N@H+](C)C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001307454779 1052308709 /nfs/dbraw/zinc/30/87/09/1052308709.db2.gz BLOURXREMCPIHD-OAQYLSRUSA-N 1 3 353.510 2.970 20 0 FFADHO CNC(=O)CC[N@@H+](C)C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001307454779 1052308713 /nfs/dbraw/zinc/30/87/13/1052308713.db2.gz BLOURXREMCPIHD-OAQYLSRUSA-N 1 3 353.510 2.970 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001345379704 1052414384 /nfs/dbraw/zinc/41/43/84/1052414384.db2.gz FLRBUTKCGKLNPM-GOSISDBHSA-N 1 3 361.555 2.681 20 0 FFADHO CC(C)CC[NH+]1CCC(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC001308747394 1052494575 /nfs/dbraw/zinc/49/45/75/1052494575.db2.gz NGTPMEOVIFWHFV-GMAHTHKFSA-N 1 3 373.585 2.970 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001345561236 1052510995 /nfs/dbraw/zinc/51/09/95/1052510995.db2.gz UFKLGYOHKPRXGG-CNNODRBYSA-N 1 3 363.461 2.593 20 0 FFADHO C[C@@H]([NH3+])C1(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)CCOCC1 ZINC001344469553 1052787284 /nfs/dbraw/zinc/78/72/84/1052787284.db2.gz AHHAOWLSHYRACX-UYAOXDASSA-N 1 3 373.541 2.644 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](Cc4ccccc4)CC3=O)C[C@@H]2C1 ZINC001334748738 1053058602 /nfs/dbraw/zinc/05/86/02/1053058602.db2.gz RESIQBDYGDHIGO-JSXRDJHFSA-N 1 3 355.526 2.697 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3C(=O)OC[C@H]3Cc3ccccc3)C[C@H]2C1 ZINC001335251179 1053268749 /nfs/dbraw/zinc/26/87/49/1053268749.db2.gz AIQHDPOZZCSTJB-MTQWCTHYSA-N 1 3 357.498 2.670 20 0 FFADHO Cc1nnc(N2CCN(CC(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001543324702 1071448156 /nfs/dbraw/zinc/44/81/56/1071448156.db2.gz BPSSANGZGMAKCW-UHFFFAOYSA-N 1 3 362.566 2.629 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCN(Cc4ccccc4F)C3=O)C[C@@H]2C1 ZINC001356058011 1055251255 /nfs/dbraw/zinc/25/12/55/1055251255.db2.gz WFMAAMDPWKYWIK-YTQUADARSA-N 1 3 374.504 2.683 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001349517273 1055310280 /nfs/dbraw/zinc/31/02/80/1055310280.db2.gz HRDPXCKIGLFVHG-CEWLAPEOSA-N 1 3 370.541 2.633 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001349517273 1055310298 /nfs/dbraw/zinc/31/02/98/1055310298.db2.gz HRDPXCKIGLFVHG-CEWLAPEOSA-N 1 3 370.541 2.633 20 0 FFADHO CC[C@H](C)N1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2CC)CC1 ZINC001356246803 1055414535 /nfs/dbraw/zinc/41/45/35/1055414535.db2.gz QUHNQUCIGUSOEW-QBUWPKIASA-N 1 3 374.577 2.634 20 0 FFADHO CC[C@H](C)N1CCN(c2nnc(CC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2CC)CC1 ZINC001356246803 1055414541 /nfs/dbraw/zinc/41/45/41/1055414541.db2.gz QUHNQUCIGUSOEW-QBUWPKIASA-N 1 3 374.577 2.634 20 0 FFADHO O[C@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1ccc(F)cc1Cl ZINC001356621621 1055620675 /nfs/dbraw/zinc/62/06/75/1055620675.db2.gz LAPHIABKJLAXLD-GOSISDBHSA-N 1 3 356.869 2.746 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849078985 1055630948 /nfs/dbraw/zinc/63/09/48/1055630948.db2.gz WETRTWRTGJTFSS-QZTJIDSGSA-N 1 3 358.530 2.970 20 0 FFADHO CC[C@H](C)C[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001357413969 1055896770 /nfs/dbraw/zinc/89/67/70/1055896770.db2.gz KZRUFVOWCOSOKF-HNAYVOBHSA-N 1 3 365.493 2.549 20 0 FFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc2c(s1)CNCC2 ZINC001357472225 1055914735 /nfs/dbraw/zinc/91/47/35/1055914735.db2.gz MXVULQFBPLBKHO-UHFFFAOYSA-N 1 3 361.486 2.737 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001357764945 1056005524 /nfs/dbraw/zinc/00/55/24/1056005524.db2.gz RQJQLUBHBFUFSO-UHFFFAOYSA-N 1 3 356.514 2.562 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cn2cccc2)cc1 ZINC001351053524 1056060353 /nfs/dbraw/zinc/06/03/53/1056060353.db2.gz JYYAJKSBUVUUMF-SFHVURJKSA-N 1 3 356.514 2.538 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cn2cccc2)cc1 ZINC001351053524 1056060367 /nfs/dbraw/zinc/06/03/67/1056060367.db2.gz JYYAJKSBUVUUMF-SFHVURJKSA-N 1 3 356.514 2.538 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC001353478452 1056439540 /nfs/dbraw/zinc/43/95/40/1056439540.db2.gz XKMICKHJLHQHMV-XHSDSOJGSA-N 1 3 350.507 2.786 20 0 FFADHO CCc1noc(C)c1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849113744 1056767957 /nfs/dbraw/zinc/76/79/57/1056767957.db2.gz HXLVDPMOPWPFPN-UHFFFAOYSA-N 1 3 355.486 2.824 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@H]3CCc4ccc(F)cc43)CC2)CC[N@@H+]1C ZINC001499231256 1058271180 /nfs/dbraw/zinc/27/11/80/1058271180.db2.gz XCBKQVRCSBBLBF-YTQUADARSA-N 1 3 359.489 2.782 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@H]3CCc4ccc(F)cc43)CC2)CC[N@H+]1C ZINC001499231256 1058271190 /nfs/dbraw/zinc/27/11/90/1058271190.db2.gz XCBKQVRCSBBLBF-YTQUADARSA-N 1 3 359.489 2.782 20 0 FFADHO Cc1ncsc1CN1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500498090 1058505070 /nfs/dbraw/zinc/50/50/70/1058505070.db2.gz DVVSDZSZKRGCRJ-GPMSIDNRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1CN1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500498090 1058505086 /nfs/dbraw/zinc/50/50/86/1058505086.db2.gz DVVSDZSZKRGCRJ-GPMSIDNRSA-N 1 3 364.559 2.510 20 0 FFADHO CC[NH+](CC)CCCn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001501951667 1058742376 /nfs/dbraw/zinc/74/23/76/1058742376.db2.gz DHRNFDIWHVVRDZ-UHFFFAOYSA-N 1 3 362.566 2.808 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC2CC[NH+](CC)CC2)C[C@H]1C ZINC001502266490 1058800545 /nfs/dbraw/zinc/80/05/45/1058800545.db2.gz RYGUTIXQHDMBKI-SJORKVTESA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001515802065 1059800937 /nfs/dbraw/zinc/80/09/37/1059800937.db2.gz KOSLVYFJXKNSLF-IAGOWNOFSA-N 1 3 350.555 2.661 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C(C)C)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001515802065 1059800960 /nfs/dbraw/zinc/80/09/60/1059800960.db2.gz KOSLVYFJXKNSLF-IAGOWNOFSA-N 1 3 350.555 2.661 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[N@H+](CC)C2CC2)C[C@@H]1C ZINC001515827891 1059822068 /nfs/dbraw/zinc/82/20/68/1059822068.db2.gz OINXOOZYQQGERA-IRXDYDNUSA-N 1 3 374.577 2.634 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CC[N@@H+](CC)C2CC2)C[C@@H]1C ZINC001515827891 1059822084 /nfs/dbraw/zinc/82/20/84/1059822084.db2.gz OINXOOZYQQGERA-IRXDYDNUSA-N 1 3 374.577 2.634 20 0 FFADHO CCC[NH+]1CCC(Cn2c(C)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)CC1 ZINC001547167884 1071928394 /nfs/dbraw/zinc/92/83/94/1071928394.db2.gz FQHGLVMZAADBAH-IRXDYDNUSA-N 1 3 362.566 2.627 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001511889635 1060460237 /nfs/dbraw/zinc/46/02/37/1060460237.db2.gz LJUAKJFKIBNQDX-SFHVURJKSA-N 1 3 374.577 2.916 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001511889635 1060460243 /nfs/dbraw/zinc/46/02/43/1060460243.db2.gz LJUAKJFKIBNQDX-SFHVURJKSA-N 1 3 374.577 2.916 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC001459657842 1060787651 /nfs/dbraw/zinc/78/76/51/1060787651.db2.gz QHRDRDRSDXLQPB-TVFCKZIOSA-N 1 3 351.535 2.906 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC001459657842 1060787665 /nfs/dbraw/zinc/78/76/65/1060787665.db2.gz QHRDRDRSDXLQPB-TVFCKZIOSA-N 1 3 351.535 2.906 20 0 FFADHO FC(F)COc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC001461223389 1061255586 /nfs/dbraw/zinc/25/55/86/1061255586.db2.gz BCMCVWHYCHEUAC-MRXNPFEDSA-N 1 3 354.441 2.921 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC001462552765 1061669871 /nfs/dbraw/zinc/66/98/71/1061669871.db2.gz IFPCXGSKIRWWSY-IOJLRTSASA-N 1 3 366.933 2.867 20 0 FFADHO CC(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001524912970 1063048572 /nfs/dbraw/zinc/04/85/72/1063048572.db2.gz VDEBEYXDWMXFAD-RTBURBONSA-N 1 3 374.577 2.808 20 0 FFADHO CC[C@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCN1CC=CCC1 ZINC001495805882 1063548422 /nfs/dbraw/zinc/54/84/22/1063548422.db2.gz WBUSXVVKUZWVJF-IBGZPJMESA-N 1 3 374.577 2.832 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001496708434 1063637918 /nfs/dbraw/zinc/63/79/18/1063637918.db2.gz ZYUOVKWDGLZQJP-CRAIPNDOSA-N 1 3 351.922 2.613 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCc2ccc(Cl)cc2)CC[N@H+]1C ZINC001496708434 1063637921 /nfs/dbraw/zinc/63/79/21/1063637921.db2.gz ZYUOVKWDGLZQJP-CRAIPNDOSA-N 1 3 351.922 2.613 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3CCCCN3C)C2)CC1 ZINC001471508869 1064701072 /nfs/dbraw/zinc/70/10/72/1064701072.db2.gz MEOHHHGGZRQSSB-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC001575380032 1078134843 /nfs/dbraw/zinc/13/48/43/1078134843.db2.gz PGAUHILSDODASQ-ZWKOTPCHSA-N 1 3 359.514 2.662 20 0 FFADHO CCN(C)C[C@H]1CC[N@H+](CCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 ZINC001474349196 1065499467 /nfs/dbraw/zinc/49/94/67/1065499467.db2.gz OHXVXPVUXLTPMC-QGZVFWFLSA-N 1 3 369.550 2.724 20 0 FFADHO CCN(C)C[C@H]1CC[N@@H+](CCC2(NC(=O)OC(C)(C)C)CCOCC2)C1 ZINC001474349196 1065499470 /nfs/dbraw/zinc/49/94/70/1065499470.db2.gz OHXVXPVUXLTPMC-QGZVFWFLSA-N 1 3 369.550 2.724 20 0 FFADHO COC(=O)Nc1cccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1 ZINC001474514460 1065539943 /nfs/dbraw/zinc/53/99/43/1065539943.db2.gz YOAHBALUVLJJCK-UHFFFAOYSA-N 1 3 361.486 2.988 20 0 FFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc(-c2cn[nH]n2)cc1 ZINC001576793627 1078275077 /nfs/dbraw/zinc/27/50/77/1078275077.db2.gz MVAQNMPVIORYBJ-SFHVURJKSA-N 1 3 370.501 2.607 20 0 FFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(-c2cn[nH]n2)cc1 ZINC001576793627 1078275079 /nfs/dbraw/zinc/27/50/79/1078275079.db2.gz MVAQNMPVIORYBJ-SFHVURJKSA-N 1 3 370.501 2.607 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001576809181 1078277090 /nfs/dbraw/zinc/27/70/90/1078277090.db2.gz OYXGGUGMIJKHMU-WSTZPKSXSA-N 1 3 358.530 2.586 20 0 FFADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001577523740 1078373872 /nfs/dbraw/zinc/37/38/72/1078373872.db2.gz APMPXXGGJVRLFI-HXUWFJFHSA-N 1 3 358.530 2.608 20 0 FFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc2c1OCCNC2 ZINC001577524178 1078374070 /nfs/dbraw/zinc/37/40/70/1078374070.db2.gz YKSVPFJWLIAZSA-UHFFFAOYSA-N 1 3 359.514 2.897 20 0 FFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1ccccc1C[NH3+] ZINC001578863700 1078536534 /nfs/dbraw/zinc/53/65/34/1078536534.db2.gz GVVPGDUUJUOSLN-UHFFFAOYSA-N 1 3 354.406 2.977 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@H]3CCCC[C@]3(C[NH3+])C2)cc1 ZINC001579198798 1078586350 /nfs/dbraw/zinc/58/63/50/1078586350.db2.gz BVVTZTBGLYWULB-LMNJBCLMSA-N 1 3 359.514 2.712 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)c3ccccc3C[NH3+])CC2)c1 ZINC001579277853 1078608493 /nfs/dbraw/zinc/60/84/93/1078608493.db2.gz NCCYRXNJZJKGNO-UHFFFAOYSA-N 1 3 353.466 2.548 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@]23CCC[NH2+]C3)N(C)C)cc1 ZINC001579667645 1078659691 /nfs/dbraw/zinc/65/96/91/1078659691.db2.gz PGAUPRYZVLEISR-FPOVZHCZSA-N 1 3 358.530 2.915 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)cc1 ZINC001579691195 1078663419 /nfs/dbraw/zinc/66/34/19/1078663419.db2.gz QDACZJBLUWGPKQ-HYUQFDPSSA-N 1 3 355.526 2.839 20 0 FFADHO c1ccc(N2CCN(CCC[N@@H+]3CCNCC34CCCCC4)CC2)cc1 ZINC001580895645 1078888354 /nfs/dbraw/zinc/88/83/54/1078888354.db2.gz QESSVGPHHFYMBI-UHFFFAOYSA-N 1 3 356.558 2.807 20 0 FFADHO c1ccc(N2CCN(CCC[N@H+]3CCNCC34CCCCC4)CC2)cc1 ZINC001580895645 1078888361 /nfs/dbraw/zinc/88/83/61/1078888361.db2.gz QESSVGPHHFYMBI-UHFFFAOYSA-N 1 3 356.558 2.807 20 0 FFADHO c1ccc(N2CCN(CCCN3CC[NH2+]CC34CCCCC4)CC2)cc1 ZINC001580895645 1078888364 /nfs/dbraw/zinc/88/83/64/1078888364.db2.gz QESSVGPHHFYMBI-UHFFFAOYSA-N 1 3 356.558 2.807 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3nccc4c3CCCC4)C2)[C@H]1C(C)C ZINC001550424162 1074263842 /nfs/dbraw/zinc/26/38/42/1074263842.db2.gz YRQOIIADEOXTAD-UVUJQTEASA-N 1 3 357.542 2.920 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3nccc4c3CCCC4)C2)[C@H]1C(C)C ZINC001550424162 1074263847 /nfs/dbraw/zinc/26/38/47/1074263847.db2.gz YRQOIIADEOXTAD-UVUJQTEASA-N 1 3 357.542 2.920 20 0 FFADHO Cn1nccc1[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001550516351 1074328066 /nfs/dbraw/zinc/32/80/66/1074328066.db2.gz GRIQJKCEBVUHLP-WOJBJXKFSA-N 1 3 353.514 2.953 20 0 FFADHO COc1nc2ccccc2cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550669635 1074427628 /nfs/dbraw/zinc/42/76/28/1074427628.db2.gz ZISOISQUUOYHMQ-DYQZNNLLSA-N 1 3 369.509 2.813 20 0 FFADHO COc1nc2ccccc2cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550669635 1074427632 /nfs/dbraw/zinc/42/76/32/1074427632.db2.gz ZISOISQUUOYHMQ-DYQZNNLLSA-N 1 3 369.509 2.813 20 0 FFADHO FC(F)(F)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC001550910640 1074527492 /nfs/dbraw/zinc/52/74/92/1074527492.db2.gz FXHZPOQGYSYWRG-IYBDPMFKSA-N 1 3 354.420 2.501 20 0 FFADHO FC(F)(F)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cn1 ZINC001550910640 1074527496 /nfs/dbraw/zinc/52/74/96/1074527496.db2.gz FXHZPOQGYSYWRG-IYBDPMFKSA-N 1 3 354.420 2.501 20 0 FFADHO FC(F)(F)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cn1 ZINC001550910640 1074527500 /nfs/dbraw/zinc/52/75/00/1074527500.db2.gz FXHZPOQGYSYWRG-IYBDPMFKSA-N 1 3 354.420 2.501 20 0 FFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC001553025004 1075201061 /nfs/dbraw/zinc/20/10/61/1075201061.db2.gz URHHTFPYJMXPFU-XODKDNOYSA-N 1 3 360.546 2.872 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553416532 1075302895 /nfs/dbraw/zinc/30/28/95/1075302895.db2.gz KETUZELOYVUBCR-GVDBMIGSSA-N 1 3 362.543 2.526 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC001553433475 1075306761 /nfs/dbraw/zinc/30/67/61/1075306761.db2.gz FUFKJKRZZOSCDQ-RSPOEFSDSA-N 1 3 356.514 2.605 20 0 FFADHO OC1(C[NH+]2CCCCC2)CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC001560217719 1076248909 /nfs/dbraw/zinc/24/89/09/1076248909.db2.gz NDWRVDUYCGHLPQ-UHFFFAOYSA-N 1 3 370.497 2.592 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001564447695 1076633375 /nfs/dbraw/zinc/63/33/75/1076633375.db2.gz NFPMRKGHIZUEEV-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001564447695 1076633377 /nfs/dbraw/zinc/63/33/77/1076633377.db2.gz NFPMRKGHIZUEEV-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001565060840 1076681972 /nfs/dbraw/zinc/68/19/72/1076681972.db2.gz HDMKKIUDPPUJLA-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001565060840 1076681976 /nfs/dbraw/zinc/68/19/76/1076681976.db2.gz HDMKKIUDPPUJLA-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001566338648 1076948207 /nfs/dbraw/zinc/94/82/07/1076948207.db2.gz PQWQVIMHWKRCCI-OHNKGQGDSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001566338648 1076948209 /nfs/dbraw/zinc/94/82/09/1076948209.db2.gz PQWQVIMHWKRCCI-OHNKGQGDSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C2CC2)[C@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC001567443626 1077028194 /nfs/dbraw/zinc/02/81/94/1077028194.db2.gz VVDMGQTWGXXOQW-DJKXOVBDSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(C2CC2)[C@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC001567443626 1077028196 /nfs/dbraw/zinc/02/81/96/1077028196.db2.gz VVDMGQTWGXXOQW-DJKXOVBDSA-N 1 3 359.489 2.734 20 0 FFADHO CC(C)C[C@H](CNCc1cc(F)cc(F)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568328641 1077086890 /nfs/dbraw/zinc/08/68/90/1077086890.db2.gz GVUNQBHFXCRYPP-NIKGAXFTSA-N 1 3 367.484 2.926 20 0 FFADHO CC(C)C[C@H](CNCc1cc(F)cc(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568328641 1077086897 /nfs/dbraw/zinc/08/68/97/1077086897.db2.gz GVUNQBHFXCRYPP-NIKGAXFTSA-N 1 3 367.484 2.926 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cccc(Cl)n2)C(C)(C)C)CC[N@@H+]1C ZINC001571624401 1077258185 /nfs/dbraw/zinc/25/81/85/1077258185.db2.gz IWDJBCRAXNARGA-BMFZPTHFSA-N 1 3 366.937 2.696 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cccc(Cl)n2)C(C)(C)C)CC[N@H+]1C ZINC001571624401 1077258187 /nfs/dbraw/zinc/25/81/87/1077258187.db2.gz IWDJBCRAXNARGA-BMFZPTHFSA-N 1 3 366.937 2.696 20 0 FFADHO CC(C)C[N@H+](CCc1ccc(-c2nnn[n-]2)cc1)CC1CC[NH+](C)CC1 ZINC001589618395 1080637371 /nfs/dbraw/zinc/63/73/71/1080637371.db2.gz FYORPGSHZBXGRP-UHFFFAOYSA-N 1 3 356.518 2.709 20 0 FFADHO CC(C)C[N@@H+](CCc1ccc(-c2nnn[n-]2)cc1)CC1CC[NH+](C)CC1 ZINC001589618395 1080637374 /nfs/dbraw/zinc/63/73/74/1080637374.db2.gz FYORPGSHZBXGRP-UHFFFAOYSA-N 1 3 356.518 2.709 20 0 FFADHO CC(C)C[N@H+](CCc1ccc(-c2nn[n-]n2)cc1)CC1CC[NH+](C)CC1 ZINC001589618395 1080637381 /nfs/dbraw/zinc/63/73/81/1080637381.db2.gz FYORPGSHZBXGRP-UHFFFAOYSA-N 1 3 356.518 2.709 20 0 FFADHO CC(C)C[N@@H+](CCc1ccc(-c2nn[n-]n2)cc1)CC1CC[NH+](C)CC1 ZINC001589618395 1080637384 /nfs/dbraw/zinc/63/73/84/1080637384.db2.gz FYORPGSHZBXGRP-UHFFFAOYSA-N 1 3 356.518 2.709 20 0 FFADHO CN(C)c1ccncc1CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000359963523 529800391 /nfs/dbraw/zinc/80/03/91/529800391.db2.gz ZUQRQLIFLJAJML-UHFFFAOYSA-N 1 3 354.498 2.889 20 0 FFADHO CN(C)c1ccncc1CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000359963523 529800393 /nfs/dbraw/zinc/80/03/93/529800393.db2.gz ZUQRQLIFLJAJML-UHFFFAOYSA-N 1 3 354.498 2.889 20 0 FFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccc(Br)cc1 ZINC000422798365 513936335 /nfs/dbraw/zinc/93/63/35/513936335.db2.gz QUGBYUPIITWBAT-GUYJKWIASA-N 1 3 357.292 2.558 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1ccccc1Br ZINC000423077535 514030791 /nfs/dbraw/zinc/03/07/91/514030791.db2.gz UEUBSEOUWIIZRW-CKEIUWERSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423077535 514030799 /nfs/dbraw/zinc/03/07/99/514030799.db2.gz UEUBSEOUWIIZRW-CKEIUWERSA-N 1 3 355.320 2.578 20 0 FFADHO Brc1cccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420372101 514113722 /nfs/dbraw/zinc/11/37/22/514113722.db2.gz KZPRHQJISUTFPZ-HNNXBMFYSA-N 1 3 352.320 2.961 20 0 FFADHO CC(C)[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000117487596 250349357 /nfs/dbraw/zinc/34/93/57/250349357.db2.gz CKFLUUCHUQOHRY-LJQANCHMSA-N 1 3 350.551 2.765 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)c1ccccc1 ZINC000153519769 251148139 /nfs/dbraw/zinc/14/81/39/251148139.db2.gz AYPLIGSGTFKEOK-SFTDATJTSA-N 1 3 373.541 2.829 20 0 FFADHO COCCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268807579 251389657 /nfs/dbraw/zinc/38/96/57/251389657.db2.gz CDDRIKOTDCEWNE-UGKGYDQZSA-N 1 3 359.558 2.988 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000268815255 251392693 /nfs/dbraw/zinc/39/26/93/251392693.db2.gz ICZWSFHNDZCAJH-WBVHZDCISA-N 1 3 366.502 2.636 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)N1CCN(C)CC1 ZINC000268789892 251385203 /nfs/dbraw/zinc/38/52/03/251385203.db2.gz XJTZPYWPCDBLBO-PMVMPFDFSA-N 1 3 372.601 2.759 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000272317384 252008182 /nfs/dbraw/zinc/00/81/82/252008182.db2.gz HNHHLEBQYHSCJM-UHOSZYNNSA-N 1 3 358.530 2.851 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378124286 512602875 /nfs/dbraw/zinc/60/28/75/512602875.db2.gz XQJGRRYGGGVCIG-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000285730690 257001675 /nfs/dbraw/zinc/00/16/75/257001675.db2.gz ODPDQQDSTRLLCL-FQEVSTJZSA-N 1 3 359.514 2.650 20 0 FFADHO COCCOc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278414165 256309802 /nfs/dbraw/zinc/30/98/02/256309802.db2.gz FOEBICDYSYCDAZ-ROUUACIJSA-N 1 3 350.503 2.863 20 0 FFADHO COCCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278414165 256309803 /nfs/dbraw/zinc/30/98/03/256309803.db2.gz FOEBICDYSYCDAZ-ROUUACIJSA-N 1 3 350.503 2.863 20 0 FFADHO COC[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000278938596 256364390 /nfs/dbraw/zinc/36/43/90/256364390.db2.gz YCVGWNLVWUPPER-WOJBJXKFSA-N 1 3 350.478 2.616 20 0 FFADHO CN(C(=O)NCCCN1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286963429 257064290 /nfs/dbraw/zinc/06/42/90/257064290.db2.gz CFOOHXZVKMYSHF-WCRBZPEASA-N 1 3 370.541 2.701 20 0 FFADHO CN(C(=O)NCCCN1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286963429 257064291 /nfs/dbraw/zinc/06/42/91/257064291.db2.gz CFOOHXZVKMYSHF-WCRBZPEASA-N 1 3 370.541 2.701 20 0 FFADHO CC(=O)NC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000287104263 257072210 /nfs/dbraw/zinc/07/22/10/257072210.db2.gz QFJIDWWKPFOGCW-QKQBLWMGSA-N 1 3 355.526 2.934 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000287870776 257123127 /nfs/dbraw/zinc/12/31/27/257123127.db2.gz ARZBSHPDSPFWAW-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000287876669 257124874 /nfs/dbraw/zinc/12/48/74/257124874.db2.gz GGWFYCNWFBUTHT-QFMLELGNSA-N 1 3 358.530 2.992 20 0 FFADHO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000287876669 257124876 /nfs/dbraw/zinc/12/48/76/257124876.db2.gz GGWFYCNWFBUTHT-QFMLELGNSA-N 1 3 358.530 2.992 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288435978 257188657 /nfs/dbraw/zinc/18/86/57/257188657.db2.gz OOQDVYCDSHOWBI-QHCPKHFHSA-N 1 3 367.537 2.985 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288435978 257188659 /nfs/dbraw/zinc/18/86/59/257188659.db2.gz OOQDVYCDSHOWBI-QHCPKHFHSA-N 1 3 367.537 2.985 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289501989 257284321 /nfs/dbraw/zinc/28/43/21/257284321.db2.gz SYTIBHNOANGKET-UHFFFAOYSA-N 1 3 355.530 2.843 20 0 FFADHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC000289143839 257260266 /nfs/dbraw/zinc/26/02/66/257260266.db2.gz ANIQXPJZHADECD-UHFFFAOYSA-N 1 3 363.546 2.940 20 0 FFADHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc(OC)c1OCC(F)F ZINC000289736500 257296174 /nfs/dbraw/zinc/29/61/74/257296174.db2.gz MYHNHOULGBZXRQ-ZDUSSCGKSA-N 1 3 370.440 2.922 20 0 FFADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000290368812 257328480 /nfs/dbraw/zinc/32/84/80/257328480.db2.gz KBJSUTFHAWKFEO-WOJBJXKFSA-N 1 3 358.530 2.781 20 0 FFADHO CCc1cc(N2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)ncn1 ZINC000297671942 257852167 /nfs/dbraw/zinc/85/21/67/257852167.db2.gz OQQFYHWFIBJJNX-UHFFFAOYSA-N 1 3 366.513 2.661 20 0 FFADHO Cc1[nH+]c2ccccc2c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1C ZINC000302095749 258087599 /nfs/dbraw/zinc/08/75/99/258087599.db2.gz RWLVVLLMHFGITI-IBGZPJMESA-N 1 3 352.482 2.594 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000066196418 506445940 /nfs/dbraw/zinc/44/59/40/506445940.db2.gz SYBLZIUTDQWMDJ-HNNXBMFYSA-N 1 3 370.488 2.768 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000066196418 506445949 /nfs/dbraw/zinc/44/59/49/506445949.db2.gz SYBLZIUTDQWMDJ-HNNXBMFYSA-N 1 3 370.488 2.768 20 0 FFADHO COC[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CCOCC1 ZINC000375304979 512259070 /nfs/dbraw/zinc/25/90/70/512259070.db2.gz YRCPPHZKOVBXQP-OAQYLSRUSA-N 1 3 362.514 2.691 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000066140491 506428006 /nfs/dbraw/zinc/42/80/06/506428006.db2.gz BQCPFWMQPLMNFA-SFHVURJKSA-N 1 3 360.546 2.677 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000066140491 506428013 /nfs/dbraw/zinc/42/80/13/506428013.db2.gz BQCPFWMQPLMNFA-SFHVURJKSA-N 1 3 360.546 2.677 20 0 FFADHO CCN1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067772719 507004220 /nfs/dbraw/zinc/00/42/20/507004220.db2.gz QPVFGNPPOYZOLO-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000057703589 507309917 /nfs/dbraw/zinc/30/99/17/507309917.db2.gz HFBSWRQKXDQEMM-IBGZPJMESA-N 1 3 356.514 2.577 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)NC3CCN(C)CC3)cc2)CC1 ZINC000047885222 507406859 /nfs/dbraw/zinc/40/68/59/507406859.db2.gz HRRIOPRVPGCQNH-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000047965861 507425340 /nfs/dbraw/zinc/42/53/40/507425340.db2.gz GAVOMOOWUFHPSO-NRFANRHFSA-N 1 3 366.509 2.822 20 0 FFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CCN(C2CC2)CC1 ZINC000048395021 507516991 /nfs/dbraw/zinc/51/69/91/507516991.db2.gz MZHGETBLOKRHJJ-UHFFFAOYSA-N 1 3 356.514 2.708 20 0 FFADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000069780936 507556847 /nfs/dbraw/zinc/55/68/47/507556847.db2.gz JSZOBAFRVHMTSA-ROUUACIJSA-N 1 3 352.567 2.869 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000061469745 507615837 /nfs/dbraw/zinc/61/58/37/507615837.db2.gz PFEYKKIAYWEQGK-UHFFFAOYSA-N 1 3 354.498 2.809 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000050799972 507713216 /nfs/dbraw/zinc/71/32/16/507713216.db2.gz VQRIFXOVKFYLPX-UXHICEINSA-N 1 3 359.489 2.604 20 0 FFADHO CC(C)c1cccc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050799808 507713777 /nfs/dbraw/zinc/71/37/77/507713777.db2.gz NWEIKVDDAHCHBA-UHFFFAOYSA-N 1 3 373.541 2.864 20 0 FFADHO Cc1ccc(SCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802934 507715009 /nfs/dbraw/zinc/71/50/09/507715009.db2.gz KBZQXSNICJMPCV-UHFFFAOYSA-N 1 3 361.555 2.762 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000073212228 507904055 /nfs/dbraw/zinc/90/40/55/507904055.db2.gz VJRRZSRRKCUFJK-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO CCN(CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000073212228 507904056 /nfs/dbraw/zinc/90/40/56/507904056.db2.gz VJRRZSRRKCUFJK-ZWKOTPCHSA-N 1 3 350.551 2.767 20 0 FFADHO COc1ccc(C[C@@H](C)CN(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000090616419 507930796 /nfs/dbraw/zinc/93/07/96/507930796.db2.gz UPDUKJSRHZSEOZ-QGZVFWFLSA-N 1 3 373.541 2.549 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000079223046 507946181 /nfs/dbraw/zinc/94/61/81/507946181.db2.gz XWBRDOJWVHAONB-PXNSSMCTSA-N 1 3 358.530 2.635 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000079223046 507946183 /nfs/dbraw/zinc/94/61/83/507946183.db2.gz XWBRDOJWVHAONB-PXNSSMCTSA-N 1 3 358.530 2.635 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079256857 507948117 /nfs/dbraw/zinc/94/81/17/507948117.db2.gz UCHQSFDLKJNNLF-FXAWDEMLSA-N 1 3 370.541 2.607 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc2C1 ZINC000079256857 507948120 /nfs/dbraw/zinc/94/81/20/507948120.db2.gz UCHQSFDLKJNNLF-FXAWDEMLSA-N 1 3 370.541 2.607 20 0 FFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233335 507972006 /nfs/dbraw/zinc/97/20/06/507972006.db2.gz XYIZHQGXPZLMOR-LJQANCHMSA-N 1 3 373.545 2.814 20 0 FFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233335 507972007 /nfs/dbraw/zinc/97/20/07/507972007.db2.gz XYIZHQGXPZLMOR-LJQANCHMSA-N 1 3 373.545 2.814 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000079572564 507977536 /nfs/dbraw/zinc/97/75/36/507977536.db2.gz PQNXXWGARXKKQW-OAQYLSRUSA-N 1 3 374.573 2.921 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000079572564 507977538 /nfs/dbraw/zinc/97/75/38/507977538.db2.gz PQNXXWGARXKKQW-OAQYLSRUSA-N 1 3 374.573 2.921 20 0 FFADHO CN(CCCNC(=O)N1CCC(CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000079577726 507978191 /nfs/dbraw/zinc/97/81/91/507978191.db2.gz KPTGIJOLKWOFCV-UHFFFAOYSA-N 1 3 360.546 2.882 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@H]1c1cccs1 ZINC000074161219 507992611 /nfs/dbraw/zinc/99/26/11/507992611.db2.gz NDFVOPJXZWLFPU-RYRKJORJSA-N 1 3 364.559 2.772 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@H]1c1cccs1 ZINC000074161219 507992612 /nfs/dbraw/zinc/99/26/12/507992612.db2.gz NDFVOPJXZWLFPU-RYRKJORJSA-N 1 3 364.559 2.772 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074853600 508062241 /nfs/dbraw/zinc/06/22/41/508062241.db2.gz AERWNQDEXDBRSK-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074853600 508062243 /nfs/dbraw/zinc/06/22/43/508062243.db2.gz AERWNQDEXDBRSK-PZJWPPBQSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000074876057 508066633 /nfs/dbraw/zinc/06/66/33/508066633.db2.gz GEJTXLIFUUVJKM-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000074876057 508066635 /nfs/dbraw/zinc/06/66/35/508066635.db2.gz GEJTXLIFUUVJKM-XLIONFOSSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](O)C1CCN(Cc2ccccc2C[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000111284365 508086100 /nfs/dbraw/zinc/08/61/00/508086100.db2.gz BNORYDKXURAUAV-QZTJIDSGSA-N 1 3 360.542 2.872 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000080699521 508095309 /nfs/dbraw/zinc/09/53/09/508095309.db2.gz UGCRSQVOAAQKMS-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000080699521 508095312 /nfs/dbraw/zinc/09/53/12/508095312.db2.gz UGCRSQVOAAQKMS-MOPGFXCFSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1Cc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000111491648 508104280 /nfs/dbraw/zinc/10/42/80/508104280.db2.gz HAZLNYSKRKUULP-KKSFZXQISA-N 1 3 370.541 2.778 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000111505820 508105838 /nfs/dbraw/zinc/10/58/38/508105838.db2.gz KJDFNMLLSFAEOH-SFHVURJKSA-N 1 3 373.545 2.814 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000111505820 508105842 /nfs/dbraw/zinc/10/58/42/508105842.db2.gz KJDFNMLLSFAEOH-SFHVURJKSA-N 1 3 373.545 2.814 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000093126385 508122349 /nfs/dbraw/zinc/12/23/49/508122349.db2.gz VVKIEQXJLUYVKU-SFHVURJKSA-N 1 3 371.529 2.614 20 0 FFADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000093126385 508122352 /nfs/dbraw/zinc/12/23/52/508122352.db2.gz VVKIEQXJLUYVKU-SFHVURJKSA-N 1 3 371.529 2.614 20 0 FFADHO c1cnn(-c2cccc(CN3CCC(OCC[NH+]4CCCC4)CC3)c2)c1 ZINC000093734919 508153612 /nfs/dbraw/zinc/15/36/12/508153612.db2.gz NFHHCFBGRJGTPM-UHFFFAOYSA-N 1 3 354.498 2.949 20 0 FFADHO c1cc(N2CCCC2)ncc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735010 508153936 /nfs/dbraw/zinc/15/39/36/508153936.db2.gz UTTWKEXVSRGWCD-UHFFFAOYSA-N 1 3 358.530 2.759 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369388291 512385624 /nfs/dbraw/zinc/38/56/24/512385624.db2.gz VATYGFWEURXPGS-ZCNNSNEGSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369388291 512385629 /nfs/dbraw/zinc/38/56/29/512385629.db2.gz VATYGFWEURXPGS-ZCNNSNEGSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000076410906 508202651 /nfs/dbraw/zinc/20/26/51/508202651.db2.gz LWJACKHBWYQMSY-LJQANCHMSA-N 1 3 355.482 2.660 20 0 FFADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000085424703 508308353 /nfs/dbraw/zinc/30/83/53/508308353.db2.gz JDQIGFVQWUWIIW-INIZCTEOSA-N 1 3 364.534 2.862 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000077450558 508317916 /nfs/dbraw/zinc/31/79/16/508317916.db2.gz QSRAEGYHAIFYFM-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2ccccc2c1 ZINC000114502076 508323057 /nfs/dbraw/zinc/32/30/57/508323057.db2.gz AQOPOVDWMRJJES-IBGZPJMESA-N 1 3 355.526 2.881 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000114834491 508352338 /nfs/dbraw/zinc/35/23/38/508352338.db2.gz LYIBRJDMKQJHSY-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000104924002 508352899 /nfs/dbraw/zinc/35/28/99/508352899.db2.gz VBGLVFOPZWHUSE-KURKYZTESA-N 1 3 373.541 2.521 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000105123958 508362198 /nfs/dbraw/zinc/36/21/98/508362198.db2.gz TYUHVCUTYFSRSS-IRXDYDNUSA-N 1 3 352.548 2.867 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@H]1CN1CCCCC1)C[NH+]1CCCCC1 ZINC000105167726 508363853 /nfs/dbraw/zinc/36/38/53/508363853.db2.gz WIWIGWZEENGZRN-MOPGFXCFSA-N 1 3 350.551 2.768 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000105293860 508369118 /nfs/dbraw/zinc/36/91/18/508369118.db2.gz PFDGGGYZVZTIIK-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105293860 508369120 /nfs/dbraw/zinc/36/91/20/508369120.db2.gz PFDGGGYZVZTIIK-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc2ccccc21 ZINC000077775303 508371796 /nfs/dbraw/zinc/37/17/96/508371796.db2.gz HABQNVITRAASHW-UHFFFAOYSA-N 1 3 356.514 2.517 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000077808355 508377662 /nfs/dbraw/zinc/37/76/62/508377662.db2.gz JXHDWZLBLQGTSD-UHFFFAOYSA-N 1 3 366.937 2.506 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCN(C)CC(F)(F)F)CC1 ZINC000088720386 508381927 /nfs/dbraw/zinc/38/19/27/508381927.db2.gz PJGIAHKCXSARAF-UHFFFAOYSA-N 1 3 372.479 2.802 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000077830419 508381984 /nfs/dbraw/zinc/38/19/84/508381984.db2.gz DXWFILLJOVREQZ-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000077830419 508381986 /nfs/dbraw/zinc/38/19/86/508381986.db2.gz DXWFILLJOVREQZ-PKOBYXMFSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1Cl ZINC000077836722 508382980 /nfs/dbraw/zinc/38/29/80/508382980.db2.gz HCQGLSBYYVHRBE-ZDUSSCGKSA-N 1 3 358.889 2.675 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000115628267 508418632 /nfs/dbraw/zinc/41/86/32/508418632.db2.gz IUKGSEOKKDAECH-BEFAXECRSA-N 1 3 359.518 2.503 20 0 FFADHO CCC[C@@H]1CN(CCCn2ccnc2C)CC[N@@H+]1CCCn1ccnc1C ZINC000127452238 508452308 /nfs/dbraw/zinc/45/23/08/508452308.db2.gz XDHKTBYHNWMZIN-OAQYLSRUSA-N 1 3 372.561 2.963 20 0 FFADHO CCC[C@@H]1CN(CCCn2ccnc2C)CC[N@H+]1CCCn1ccnc1C ZINC000127452238 508452310 /nfs/dbraw/zinc/45/23/10/508452310.db2.gz XDHKTBYHNWMZIN-OAQYLSRUSA-N 1 3 372.561 2.963 20 0 FFADHO CCC[C@@H]1C[N@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000127452238 508452314 /nfs/dbraw/zinc/45/23/14/508452314.db2.gz XDHKTBYHNWMZIN-OAQYLSRUSA-N 1 3 372.561 2.963 20 0 FFADHO CCC[C@@H]1C[N@@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000127452238 508452318 /nfs/dbraw/zinc/45/23/18/508452318.db2.gz XDHKTBYHNWMZIN-OAQYLSRUSA-N 1 3 372.561 2.963 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(F)cc(F)c3)CC2)CC1 ZINC000127481844 508456782 /nfs/dbraw/zinc/45/67/82/508456782.db2.gz YGUPHRGCELKXKC-UHFFFAOYSA-N 1 3 352.429 2.645 20 0 FFADHO CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127490305 508457828 /nfs/dbraw/zinc/45/78/28/508457828.db2.gz LVFQYRQFDMDQLL-QFBILLFUSA-N 1 3 350.551 2.813 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@@H](c2nccn2C)C2CC2)CC1 ZINC000127583139 508472465 /nfs/dbraw/zinc/47/24/65/508472465.db2.gz SEKYXOWDPCVYBW-OAQYLSRUSA-N 1 3 367.541 2.799 20 0 FFADHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](c2nccn2C)C2CC2)CC1 ZINC000127583139 508472468 /nfs/dbraw/zinc/47/24/68/508472468.db2.gz SEKYXOWDPCVYBW-OAQYLSRUSA-N 1 3 367.541 2.799 20 0 FFADHO CCN1CCN(c2ccccc2CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000127754961 508495250 /nfs/dbraw/zinc/49/52/50/508495250.db2.gz WEFBKGYZIVEQJM-UHFFFAOYSA-N 1 3 356.558 2.889 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000128208333 508563373 /nfs/dbraw/zinc/56/33/73/508563373.db2.gz QUDTWGNMOLDTBZ-HIFRSBDPSA-N 1 3 373.419 2.823 20 0 FFADHO Cc1ccc(-c2cncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2)cc1 ZINC000135375270 508595891 /nfs/dbraw/zinc/59/58/91/508595891.db2.gz QAJHJWZTOKHWQV-UHFFFAOYSA-N 1 3 354.498 2.622 20 0 FFADHO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)c1 ZINC000157772384 508609730 /nfs/dbraw/zinc/60/97/30/508609730.db2.gz QAIFVRARQVSPRU-QGZVFWFLSA-N 1 3 369.509 2.880 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000123342986 508672075 /nfs/dbraw/zinc/67/20/75/508672075.db2.gz NIUHYHZNKGQXMA-CTNGQTDRSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000123342986 508672078 /nfs/dbraw/zinc/67/20/78/508672078.db2.gz NIUHYHZNKGQXMA-CTNGQTDRSA-N 1 3 370.541 2.907 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCc2ccccc2F)CC1 ZINC000137575523 508760223 /nfs/dbraw/zinc/76/02/23/508760223.db2.gz IVATYPJLXVJYLO-UHFFFAOYSA-N 1 3 363.521 2.784 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000158955104 508772777 /nfs/dbraw/zinc/77/27/77/508772777.db2.gz FGTLVMCUASQVEM-GIVPXCGWSA-N 1 3 368.562 2.519 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000158955104 508772782 /nfs/dbraw/zinc/77/27/82/508772782.db2.gz FGTLVMCUASQVEM-GIVPXCGWSA-N 1 3 368.562 2.519 20 0 FFADHO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(OCCN(C)C)c1 ZINC000154618268 508820051 /nfs/dbraw/zinc/82/00/51/508820051.db2.gz GCSXQFZLNGCXOS-QGZVFWFLSA-N 1 3 360.502 2.637 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000130999850 508875530 /nfs/dbraw/zinc/87/55/30/508875530.db2.gz DHFLYDRDVGWIOE-GOSISDBHSA-N 1 3 364.534 2.721 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000130999850 508875531 /nfs/dbraw/zinc/87/55/31/508875531.db2.gz DHFLYDRDVGWIOE-GOSISDBHSA-N 1 3 364.534 2.721 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000155261237 508960672 /nfs/dbraw/zinc/96/06/72/508960672.db2.gz LPGDHDMPBWEOHQ-OAQYLSRUSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)CN1CCCCC1 ZINC000125602487 509004989 /nfs/dbraw/zinc/00/49/89/509004989.db2.gz CUDFWMUCENGELF-HOTGVXAUSA-N 1 3 353.532 2.831 20 0 FFADHO Cc1c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cccc1C(F)(F)F ZINC000132934227 509093409 /nfs/dbraw/zinc/09/34/09/509093409.db2.gz MVQIKCNWZRIJIL-UHFFFAOYSA-N 1 3 360.424 2.971 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000182335614 509181578 /nfs/dbraw/zinc/18/15/78/509181578.db2.gz GNSVFQSWKFCLGU-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000182335614 509181582 /nfs/dbraw/zinc/18/15/82/509181582.db2.gz GNSVFQSWKFCLGU-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000172717902 509194383 /nfs/dbraw/zinc/19/43/83/509194383.db2.gz ZOZRGPJXYYMTPP-UHFFFAOYSA-N 1 3 367.484 2.975 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000266954606 509275048 /nfs/dbraw/zinc/27/50/48/509275048.db2.gz ALHARCLCIYWKCV-UHFFFAOYSA-N 1 3 373.541 2.902 20 0 FFADHO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248408996 509304201 /nfs/dbraw/zinc/30/42/01/509304201.db2.gz WBTZYZNWNDQTIR-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248408996 509304205 /nfs/dbraw/zinc/30/42/05/509304205.db2.gz WBTZYZNWNDQTIR-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248408996 509304211 /nfs/dbraw/zinc/30/42/11/509304211.db2.gz WBTZYZNWNDQTIR-PLACYPQZSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000185762640 509343113 /nfs/dbraw/zinc/34/31/13/509343113.db2.gz MLPVHKUNPNJAES-SFHVURJKSA-N 1 3 373.545 2.862 20 0 FFADHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000248509245 509345531 /nfs/dbraw/zinc/34/55/31/509345531.db2.gz YUILQRZSFACVQE-HOJAQTOUSA-N 1 3 358.530 2.996 20 0 FFADHO COc1cccc([C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000163641410 509405328 /nfs/dbraw/zinc/40/53/28/509405328.db2.gz UUWYSDKNBBMONH-QFUCXCTJSA-N 1 3 373.541 2.974 20 0 FFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2CSCCN2)CC1 ZINC000236630038 509467192 /nfs/dbraw/zinc/46/71/92/509467192.db2.gz XUDCXHSGBPSGFB-IBGZPJMESA-N 1 3 361.555 2.630 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)N1CCc2ccccc2C1 ZINC000236683920 509480110 /nfs/dbraw/zinc/48/01/10/509480110.db2.gz VVGHVMXUVPAFTI-VQTJNVASSA-N 1 3 355.526 2.575 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000176397379 509487604 /nfs/dbraw/zinc/48/76/04/509487604.db2.gz AKDLPRDXRXZQRA-QYZOEREBSA-N 1 3 350.551 2.765 20 0 FFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)CC1 ZINC000236727729 509490219 /nfs/dbraw/zinc/49/02/19/509490219.db2.gz ZIPCUBMLBJERKS-PMACEKPBSA-N 1 3 355.526 2.966 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000267476027 509505289 /nfs/dbraw/zinc/50/52/89/509505289.db2.gz YJOOFYRKIYVHJW-HMXCVIKNSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000267476027 509505297 /nfs/dbraw/zinc/50/52/97/509505297.db2.gz YJOOFYRKIYVHJW-HMXCVIKNSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248855665 509513810 /nfs/dbraw/zinc/51/38/10/509513810.db2.gz PFUVIBBFPJTURR-LFGUQSLTSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248855665 509513813 /nfs/dbraw/zinc/51/38/13/509513813.db2.gz PFUVIBBFPJTURR-LFGUQSLTSA-N 1 3 358.530 2.631 20 0 FFADHO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173415175 509584316 /nfs/dbraw/zinc/58/43/16/509584316.db2.gz JBQGQJSHXQEERT-SJORKVTESA-N 1 3 360.527 2.541 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173415175 509584320 /nfs/dbraw/zinc/58/43/20/509584320.db2.gz JBQGQJSHXQEERT-SJORKVTESA-N 1 3 360.527 2.541 20 0 FFADHO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000173415149 509585117 /nfs/dbraw/zinc/58/51/17/509585117.db2.gz JBQGQJSHXQEERT-IRXDYDNUSA-N 1 3 360.527 2.541 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173415149 509585121 /nfs/dbraw/zinc/58/51/21/509585121.db2.gz JBQGQJSHXQEERT-IRXDYDNUSA-N 1 3 360.527 2.541 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176595233 509602498 /nfs/dbraw/zinc/60/24/98/509602498.db2.gz LAWDGRGQFYGCHL-MOPGFXCFSA-N 1 3 364.509 2.772 20 0 FFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169224993 509658470 /nfs/dbraw/zinc/65/84/70/509658470.db2.gz JKWGGQPUISEQCE-KSSFIOAISA-N 1 3 367.921 2.673 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000249368000 509662454 /nfs/dbraw/zinc/66/24/54/509662454.db2.gz OPYIBGUEXUFPBR-FMKPAKJESA-N 1 3 352.441 2.511 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000249436280 509681054 /nfs/dbraw/zinc/68/10/54/509681054.db2.gz SHJRTICYYSBZSZ-OMZCGLGVSA-N 1 3 367.578 2.891 20 0 FFADHO C[NH+](C)CCN1CCC(N[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183341478 509726252 /nfs/dbraw/zinc/72/62/52/509726252.db2.gz ACVUZLPWWHLQND-NRFANRHFSA-N 1 3 356.489 2.926 20 0 FFADHO CN(C)CC[NH+]1CCC(N[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183341478 509726256 /nfs/dbraw/zinc/72/62/56/509726256.db2.gz ACVUZLPWWHLQND-NRFANRHFSA-N 1 3 356.489 2.926 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000249750564 509753056 /nfs/dbraw/zinc/75/30/56/509753056.db2.gz APJAODAJQRIXOE-KURKYZTESA-N 1 3 360.546 2.914 20 0 FFADHO [NH3+][C@@H](CCC(=O)NCC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000237932574 509776118 /nfs/dbraw/zinc/77/61/18/509776118.db2.gz CXUHITGLURWXJZ-SFHVURJKSA-N 1 3 361.555 2.944 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000183431363 509786484 /nfs/dbraw/zinc/78/64/84/509786484.db2.gz ARVDGKKTCHDAAD-OAHLLOKOSA-N 1 3 373.497 2.654 20 0 FFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183440908 509790560 /nfs/dbraw/zinc/79/05/60/509790560.db2.gz IMSJPZBDCFXLHH-JKSUJKDBSA-N 1 3 361.486 2.512 20 0 FFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183440908 509790572 /nfs/dbraw/zinc/79/05/72/509790572.db2.gz IMSJPZBDCFXLHH-JKSUJKDBSA-N 1 3 361.486 2.512 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183440908 509790581 /nfs/dbraw/zinc/79/05/81/509790581.db2.gz IMSJPZBDCFXLHH-JKSUJKDBSA-N 1 3 361.486 2.512 20 0 FFADHO C[C@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCN1Cc1ccccc1 ZINC000251862132 509824595 /nfs/dbraw/zinc/82/45/95/509824595.db2.gz SITPCXFBQHTXAS-IFMALSPDSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000252092389 509831557 /nfs/dbraw/zinc/83/15/57/509831557.db2.gz HHQBFBMXDSOLBG-SFHLNBCPSA-N 1 3 374.573 2.827 20 0 FFADHO CN(c1ccccc1CNCCNc1ccccn1)C1CC[NH+](C)CC1 ZINC000268398746 509905801 /nfs/dbraw/zinc/90/58/01/509905801.db2.gz ZWZROITUNGJLID-UHFFFAOYSA-N 1 3 353.514 2.814 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC/C=C\c3ccccc3)CC2)CC1 ZINC000255756300 509933537 /nfs/dbraw/zinc/93/35/37/509933537.db2.gz SDZPVQXCGUPZRT-YVMONPNESA-N 1 3 356.514 2.558 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000171162421 509979611 /nfs/dbraw/zinc/97/96/11/509979611.db2.gz RXUWWNLTWQMBRG-UHFFFAOYSA-N 1 3 373.545 2.600 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174174499 509984669 /nfs/dbraw/zinc/98/46/69/509984669.db2.gz WGKUVRVINNGJFN-NHCUHLMSSA-N 1 3 370.541 2.778 20 0 FFADHO CCc1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)sc1C ZINC000190222558 510013985 /nfs/dbraw/zinc/01/39/85/510013985.db2.gz BBYOFSKBYRJKGO-UHFFFAOYSA-N 1 3 365.547 2.694 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000261863549 510092839 /nfs/dbraw/zinc/09/28/39/510092839.db2.gz YDUWQUSNXPTXFS-DENIHFKCSA-N 1 3 373.541 2.642 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261933612 510121614 /nfs/dbraw/zinc/12/16/14/510121614.db2.gz LQWGICMHCKZOFR-WOJBJXKFSA-N 1 3 369.553 2.965 20 0 FFADHO Cc1nc2ccc(CN3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc2s1 ZINC000261954175 510127249 /nfs/dbraw/zinc/12/72/49/510127249.db2.gz OLHCQHAJXRTEHM-FUHWJXTLSA-N 1 3 372.538 2.685 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(OCCN(C)C)cc1 ZINC000268906317 510127947 /nfs/dbraw/zinc/12/79/47/510127947.db2.gz MKNJZRGYLMNOTO-QXAKKESOSA-N 1 3 361.530 2.925 20 0 FFADHO COCCN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245756888 510133104 /nfs/dbraw/zinc/13/31/04/510133104.db2.gz UZCUJFDAVSIBPI-DKUWSORSSA-N 1 3 357.542 2.882 20 0 FFADHO C[NH2+]CCC1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000261972278 510133573 /nfs/dbraw/zinc/13/35/73/510133573.db2.gz DRCIJUFACOUENF-UHFFFAOYSA-N 1 3 373.541 2.516 20 0 FFADHO OC1CCN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245781315 510142820 /nfs/dbraw/zinc/14/28/20/510142820.db2.gz YWQCIHWIQQMWSH-WKCHPHFGSA-N 1 3 357.542 2.618 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193977699 510157291 /nfs/dbraw/zinc/15/72/91/510157291.db2.gz BBASHRMRNKQWBK-BHIFYINESA-N 1 3 369.553 2.871 20 0 FFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180940365 510195190 /nfs/dbraw/zinc/19/51/90/510195190.db2.gz OTMNOIVGJIDDRE-OALUTQOASA-N 1 3 374.573 2.519 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000269067326 510218863 /nfs/dbraw/zinc/21/88/63/510218863.db2.gz LVXWZFBZEHUCQY-HOCLYGCPSA-N 1 3 354.491 2.720 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000245969577 510233979 /nfs/dbraw/zinc/23/39/79/510233979.db2.gz FGTLVMCUASQVEM-HMXCVIKNSA-N 1 3 368.562 2.519 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000245969577 510233982 /nfs/dbraw/zinc/23/39/82/510233982.db2.gz FGTLVMCUASQVEM-HMXCVIKNSA-N 1 3 368.562 2.519 20 0 FFADHO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174714208 510265738 /nfs/dbraw/zinc/26/57/38/510265738.db2.gz SBMMVESTFJCRNN-INIZCTEOSA-N 1 3 366.937 2.545 20 0 FFADHO CC(C)c1ccccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174711763 510266073 /nfs/dbraw/zinc/26/60/73/510266073.db2.gz BGFHQOHRFDJWFG-SFHVURJKSA-N 1 3 360.546 2.706 20 0 FFADHO C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1cccc(OCCN(C)C)c1 ZINC000181120338 510281410 /nfs/dbraw/zinc/28/14/10/510281410.db2.gz MVKMPNCONDIUOD-DMKPSLHHSA-N 1 3 368.543 2.633 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000171656166 510287478 /nfs/dbraw/zinc/28/74/78/510287478.db2.gz UIXNDWRVFXTMKM-UHFFFAOYSA-N 1 3 371.497 2.891 20 0 FFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000174790438 510313376 /nfs/dbraw/zinc/31/33/76/510313376.db2.gz HOTJYQXMWVOGND-IBGZPJMESA-N 1 3 370.541 2.777 20 0 FFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C2CC2)CC1 ZINC000174790438 510313384 /nfs/dbraw/zinc/31/33/84/510313384.db2.gz HOTJYQXMWVOGND-IBGZPJMESA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000177914022 510322523 /nfs/dbraw/zinc/32/25/23/510322523.db2.gz DSQVVJNQAIQMMQ-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(NCC[C@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262589587 510327694 /nfs/dbraw/zinc/32/76/94/510327694.db2.gz QJENLBCBJLTECA-CRAIPNDOSA-N 1 3 369.431 2.557 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000246204217 510359928 /nfs/dbraw/zinc/35/99/28/510359928.db2.gz FEWFEZRSQNEEQE-TYPHKJRUSA-N 1 3 370.541 2.683 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@@H]1c1cccs1 ZINC000246204288 510361464 /nfs/dbraw/zinc/36/14/64/510361464.db2.gz NDFVOPJXZWLFPU-SOLBZPMBSA-N 1 3 364.559 2.772 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1cccs1 ZINC000246204288 510361474 /nfs/dbraw/zinc/36/14/74/510361474.db2.gz NDFVOPJXZWLFPU-SOLBZPMBSA-N 1 3 364.559 2.772 20 0 FFADHO C[C@@H]1C[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000181381828 510383288 /nfs/dbraw/zinc/38/32/88/510383288.db2.gz YQLIPEWINMKWAU-SJLPKXTDSA-N 1 3 350.938 2.534 20 0 FFADHO C[C@@H]1C[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000181381828 510383295 /nfs/dbraw/zinc/38/32/95/510383295.db2.gz YQLIPEWINMKWAU-SJLPKXTDSA-N 1 3 350.938 2.534 20 0 FFADHO CN(C)Cc1ccc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1 ZINC000269400177 510384723 /nfs/dbraw/zinc/38/47/23/510384723.db2.gz CRVAWMHVMHEXQD-LJQANCHMSA-N 1 3 367.497 2.536 20 0 FFADHO CN(C)Cc1ccc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1 ZINC000269400171 510385101 /nfs/dbraw/zinc/38/51/01/510385101.db2.gz CRVAWMHVMHEXQD-IBGZPJMESA-N 1 3 367.497 2.536 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000171830948 510396647 /nfs/dbraw/zinc/39/66/47/510396647.db2.gz OOJZZELKICATLX-NRFANRHFSA-N 1 3 372.557 2.867 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000262769405 510404215 /nfs/dbraw/zinc/40/42/15/510404215.db2.gz HJVASJJENRPZEQ-UGKGYDQZSA-N 1 3 373.541 2.547 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1(C)C ZINC000262775516 510407915 /nfs/dbraw/zinc/40/79/15/510407915.db2.gz JGBCUFRMDABSHZ-OOSNJVJTSA-N 1 3 365.562 2.632 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1(C)C ZINC000262775516 510407922 /nfs/dbraw/zinc/40/79/22/510407922.db2.gz JGBCUFRMDABSHZ-OOSNJVJTSA-N 1 3 365.562 2.632 20 0 FFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000246384145 510459596 /nfs/dbraw/zinc/45/95/96/510459596.db2.gz RUULIYJVQLCPFP-SJLPKXTDSA-N 1 3 350.551 2.765 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000246384145 510459605 /nfs/dbraw/zinc/45/96/05/510459605.db2.gz RUULIYJVQLCPFP-SJLPKXTDSA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246412045 510475276 /nfs/dbraw/zinc/47/52/76/510475276.db2.gz LDRAKZMHNQYHTB-WOJBJXKFSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246412045 510475282 /nfs/dbraw/zinc/47/52/82/510475282.db2.gz LDRAKZMHNQYHTB-WOJBJXKFSA-N 1 3 360.546 2.579 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000246451165 510496136 /nfs/dbraw/zinc/49/61/36/510496136.db2.gz UPYHNUCLAMRDDZ-FUHWJXTLSA-N 1 3 364.559 2.772 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@H](C)C1 ZINC000246474608 510508124 /nfs/dbraw/zinc/50/81/24/510508124.db2.gz QHPJMIAVBODNAE-RLLQIKCJSA-N 1 3 360.546 2.531 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@H](C)C1 ZINC000246474608 510508127 /nfs/dbraw/zinc/50/81/27/510508127.db2.gz QHPJMIAVBODNAE-RLLQIKCJSA-N 1 3 360.546 2.531 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000246528549 510537742 /nfs/dbraw/zinc/53/77/42/510537742.db2.gz XSFWQWVGKZYVSS-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000246528549 510537745 /nfs/dbraw/zinc/53/77/45/510537745.db2.gz XSFWQWVGKZYVSS-MISYRCLQSA-N 1 3 358.530 2.775 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246569621 510561276 /nfs/dbraw/zinc/56/12/76/510561276.db2.gz BMVTUMHDSHRWNW-SVFBPWRDSA-N 1 3 373.516 2.980 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246569621 510561282 /nfs/dbraw/zinc/56/12/82/510561282.db2.gz BMVTUMHDSHRWNW-SVFBPWRDSA-N 1 3 373.516 2.980 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)c2)CC1 ZINC000184904713 510574404 /nfs/dbraw/zinc/57/44/04/510574404.db2.gz NXOWOSIUVXATRQ-SFHVURJKSA-N 1 3 373.545 2.824 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000175309149 510582518 /nfs/dbraw/zinc/58/25/18/510582518.db2.gz ROJSPJKDLODOJR-RTBURBONSA-N 1 3 361.534 2.590 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000175309149 510582522 /nfs/dbraw/zinc/58/25/22/510582522.db2.gz ROJSPJKDLODOJR-RTBURBONSA-N 1 3 361.534 2.590 20 0 FFADHO COC(=O)[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000188121459 510603950 /nfs/dbraw/zinc/60/39/50/510603950.db2.gz UZPHUJHHEPPSEP-PXNSSMCTSA-N 1 3 373.541 2.848 20 0 FFADHO C[C@@H](CCNC(=O)N(C)C[C@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640927 510706778 /nfs/dbraw/zinc/70/67/78/510706778.db2.gz KPTPQZUAEXEZDP-ICSRJNTNSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@@H](CCNC(=O)N(C)C[C@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640927 510706786 /nfs/dbraw/zinc/70/67/86/510706786.db2.gz KPTPQZUAEXEZDP-ICSRJNTNSA-N 1 3 360.546 2.880 20 0 FFADHO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000178699238 510727053 /nfs/dbraw/zinc/72/70/53/510727053.db2.gz SBBZSGZTOXIUMT-NRFANRHFSA-N 1 3 367.541 2.990 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000178765424 510759993 /nfs/dbraw/zinc/75/99/93/510759993.db2.gz TXLHWEQBOWHSLL-QMMLZNLJSA-N 1 3 351.494 2.898 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000178765424 510759999 /nfs/dbraw/zinc/75/99/99/510759999.db2.gz TXLHWEQBOWHSLL-QMMLZNLJSA-N 1 3 351.494 2.898 20 0 FFADHO COc1ccc(C[C@H](C)C[NH+]2CCC(N(C)CCCO)CC2)cc1F ZINC000185251068 510773768 /nfs/dbraw/zinc/77/37/68/510773768.db2.gz NITYLPVNHCAAGH-INIZCTEOSA-N 1 3 352.494 2.792 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)c3ccccc3)CC2)CC1 ZINC000263685344 510789293 /nfs/dbraw/zinc/78/92/93/510789293.db2.gz FQIGOJIKXSQYDL-UHFFFAOYSA-N 1 3 358.530 2.780 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000247003757 510794291 /nfs/dbraw/zinc/79/42/91/510794291.db2.gz LTAXFCPKOGAHAI-CVEARBPZSA-N 1 3 353.532 2.829 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000247003768 510794926 /nfs/dbraw/zinc/79/49/26/510794926.db2.gz LTAXFCPKOGAHAI-HZPDHXFCSA-N 1 3 353.532 2.829 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172596714 510812333 /nfs/dbraw/zinc/81/23/33/510812333.db2.gz IOVYXBSLZYHBKD-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172596714 510812337 /nfs/dbraw/zinc/81/23/37/510812337.db2.gz IOVYXBSLZYHBKD-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO CC(=O)Nc1cccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000263751925 510826276 /nfs/dbraw/zinc/82/62/76/510826276.db2.gz PEUIDMNAKGLUJA-IAGOWNOFSA-N 1 3 359.514 2.966 20 0 FFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247122368 510839901 /nfs/dbraw/zinc/83/99/01/510839901.db2.gz USMOZHXBUCAHNL-QRVBRYPASA-N 1 3 361.530 2.907 20 0 FFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182315318 510848815 /nfs/dbraw/zinc/84/88/15/510848815.db2.gz XCMSNIWPCDZCBA-XQBPLPMBSA-N 1 3 360.542 2.801 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000247246146 510853936 /nfs/dbraw/zinc/85/39/36/510853936.db2.gz YAFIOQDMPQLDPS-ARFHVFGLSA-N 1 3 363.502 2.883 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000247246146 510853937 /nfs/dbraw/zinc/85/39/37/510853937.db2.gz YAFIOQDMPQLDPS-ARFHVFGLSA-N 1 3 363.502 2.883 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000282320366 510929035 /nfs/dbraw/zinc/92/90/35/510929035.db2.gz NOKZGJWFJYIWOI-UHFFFAOYSA-N 1 3 353.457 2.892 20 0 FFADHO O=C1CCCN1c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294238080 511000672 /nfs/dbraw/zinc/00/06/72/511000672.db2.gz OXPFPDAUVUERDP-UHFFFAOYSA-N 1 3 350.466 2.967 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000285676749 511005329 /nfs/dbraw/zinc/00/53/29/511005329.db2.gz NROZOAKMOUJAQE-KRWDZBQOSA-N 1 3 363.546 2.560 20 0 FFADHO CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000294327952 511028528 /nfs/dbraw/zinc/02/85/28/511028528.db2.gz RJRIZKHCEZDYSD-MOPGFXCFSA-N 1 3 350.528 2.728 20 0 FFADHO COc1cc(NCC[NH2+]C2CCN(c3ccncc3)CC2)cc(OC)c1 ZINC000297727519 511047747 /nfs/dbraw/zinc/04/77/47/511047747.db2.gz SFEFCXZKYJRXIQ-UHFFFAOYSA-N 1 3 356.470 2.769 20 0 FFADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c(=O)n1C ZINC000279620674 511149041 /nfs/dbraw/zinc/14/90/41/511149041.db2.gz YGKQNHRPARBIMC-WKCHPHFGSA-N 1 3 351.494 2.979 20 0 FFADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1C1CCCCC1 ZINC000298065448 511163857 /nfs/dbraw/zinc/16/38/57/511163857.db2.gz KLOMORMBZJBSEY-FQEVSTJZSA-N 1 3 356.514 2.964 20 0 FFADHO CCOC(=O)c1csc(CC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000298218336 511213647 /nfs/dbraw/zinc/21/36/47/511213647.db2.gz ZYEHSEWMJMEOPN-UHFFFAOYSA-N 1 3 360.483 2.516 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000295049283 511263728 /nfs/dbraw/zinc/26/37/28/511263728.db2.gz QDHHWIMUEPXDBG-CVEARBPZSA-N 1 3 356.919 2.720 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000295049283 511263732 /nfs/dbraw/zinc/26/37/32/511263732.db2.gz QDHHWIMUEPXDBG-CVEARBPZSA-N 1 3 356.919 2.720 20 0 FFADHO O=S(=O)(CCC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298460199 511292544 /nfs/dbraw/zinc/29/25/44/511292544.db2.gz OFMSRYAETWPIAF-UHFFFAOYSA-N 1 3 359.495 2.504 20 0 FFADHO COc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c(OC)c1OC ZINC000298490968 511302533 /nfs/dbraw/zinc/30/25/33/511302533.db2.gz PYKFEUAAMYYMFL-UHFFFAOYSA-N 1 3 371.481 2.909 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(C(F)(F)F)cc1 ZINC000298585012 511338045 /nfs/dbraw/zinc/33/80/45/511338045.db2.gz YBVOMZIINKMEHS-MRXNPFEDSA-N 1 3 358.404 2.662 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333816688 511364768 /nfs/dbraw/zinc/36/47/68/511364768.db2.gz QLCDJHYGUIGJQB-GUDVDZBRSA-N 1 3 362.562 2.720 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc2)CC1 ZINC000333823958 511365729 /nfs/dbraw/zinc/36/57/29/511365729.db2.gz RNULYGHJFVQNJC-UWHLTILDSA-N 1 3 370.541 2.838 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363121461 511366522 /nfs/dbraw/zinc/36/65/22/511366522.db2.gz BOUSPQVCNXWNLV-GOSISDBHSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363121461 511366529 /nfs/dbraw/zinc/36/65/29/511366529.db2.gz BOUSPQVCNXWNLV-GOSISDBHSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)(O)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000295385933 511387277 /nfs/dbraw/zinc/38/72/77/511387277.db2.gz AXPNIERMXWMIBC-NRFANRHFSA-N 1 3 354.494 2.770 20 0 FFADHO CC(C)(O)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000295385933 511387283 /nfs/dbraw/zinc/38/72/83/511387283.db2.gz AXPNIERMXWMIBC-NRFANRHFSA-N 1 3 354.494 2.770 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000333928749 511394903 /nfs/dbraw/zinc/39/49/03/511394903.db2.gz XRSPHZZTIARYFC-CVEARBPZSA-N 1 3 350.532 2.654 20 0 FFADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000298977516 511472455 /nfs/dbraw/zinc/47/24/55/511472455.db2.gz PCMYFUICAYVIRM-LJQANCHMSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OCC(=O)N(C)C ZINC000296092774 511617291 /nfs/dbraw/zinc/61/72/91/511617291.db2.gz YGXCGBZZUBAUOP-RGPMPMONSA-N 1 3 359.514 2.820 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)[C@H](C)C1 ZINC000299396380 511620406 /nfs/dbraw/zinc/62/04/06/511620406.db2.gz RWKRQLQJHHFWKR-IMFGXOCKSA-N 1 3 359.514 2.667 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284368560 511699728 /nfs/dbraw/zinc/69/97/28/511699728.db2.gz OEBBKVUGRMFGOD-GJZGRUSLSA-N 1 3 354.926 2.668 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000365901065 511719120 /nfs/dbraw/zinc/71/91/20/511719120.db2.gz BFCSVGKEHMRGFW-GHTZIAJQSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CNCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312732978 511786624 /nfs/dbraw/zinc/78/66/24/511786624.db2.gz SUYOQVSTAAQRFN-RBDMOPTHSA-N 1 3 363.505 2.900 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CNCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312732978 511786629 /nfs/dbraw/zinc/78/66/29/511786629.db2.gz SUYOQVSTAAQRFN-RBDMOPTHSA-N 1 3 363.505 2.900 20 0 FFADHO Brc1cnn(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)c1 ZINC000314771030 511796648 /nfs/dbraw/zinc/79/66/48/511796648.db2.gz LCVYAQLZIPSKJL-BZUAXINKSA-N 1 3 355.324 2.936 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)CN[C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000274644929 511897540 /nfs/dbraw/zinc/89/75/40/511897540.db2.gz LTKAAVFISHACLA-SFTDATJTSA-N 1 3 369.509 2.509 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000296867850 511929100 /nfs/dbraw/zinc/92/91/00/511929100.db2.gz BRVPEJDKVLITHD-IFNDBITQSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000296867850 511929104 /nfs/dbraw/zinc/92/91/04/511929104.db2.gz BRVPEJDKVLITHD-IFNDBITQSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364311696 512081228 /nfs/dbraw/zinc/08/12/28/512081228.db2.gz CSOFRRSFVZIVDS-HFSMHLIXSA-N 1 3 368.525 2.753 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)CC2)CC1 ZINC000371560910 512467347 /nfs/dbraw/zinc/46/73/47/512467347.db2.gz PHYZASJEAOJGEX-FVELJTHGSA-N 1 3 362.562 2.765 20 0 FFADHO CNC(=O)CCOC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411324490 512581232 /nfs/dbraw/zinc/58/12/32/512581232.db2.gz FYPBDBUHDICSIC-UHFFFAOYSA-N 1 3 373.541 2.790 20 0 FFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378124286 512602870 /nfs/dbraw/zinc/60/28/70/512602870.db2.gz XQJGRRYGGGVCIG-RBUKOAKNSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374155544 512682466 /nfs/dbraw/zinc/68/24/66/512682466.db2.gz BMBQMQMDTGCFFU-HKUYNNGSSA-N 1 3 371.525 2.823 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374196484 512703216 /nfs/dbraw/zinc/70/32/16/512703216.db2.gz AHPYXNFZBREOLN-SYYKKAFVSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374196484 512703219 /nfs/dbraw/zinc/70/32/19/512703219.db2.gz AHPYXNFZBREOLN-SYYKKAFVSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411720147 512778201 /nfs/dbraw/zinc/77/82/01/512778201.db2.gz PKMZAXKHAPLMIN-UGKGYDQZSA-N 1 3 357.542 2.968 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000411826953 512834529 /nfs/dbraw/zinc/83/45/29/512834529.db2.gz VTDNQTDFYFNNOU-YZGWKJHDSA-N 1 3 373.541 2.673 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000411826953 512834535 /nfs/dbraw/zinc/83/45/35/512834535.db2.gz VTDNQTDFYFNNOU-YZGWKJHDSA-N 1 3 373.541 2.673 20 0 FFADHO C[C@H](CCNC(=O)[C@@H]1CNCc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000379661229 512869825 /nfs/dbraw/zinc/86/98/25/512869825.db2.gz DSRBEZNOKPDRQQ-DYESRHJHSA-N 1 3 351.494 2.900 20 0 FFADHO C[C@H](CCNC(=O)[C@@H]1CNCc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000379661229 512869828 /nfs/dbraw/zinc/86/98/28/512869828.db2.gz DSRBEZNOKPDRQQ-DYESRHJHSA-N 1 3 351.494 2.900 20 0 FFADHO O[C@H](COCc1ccco1)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383736721 512881761 /nfs/dbraw/zinc/88/17/61/512881761.db2.gz ABYBEPXNFNPAAQ-HKBOAZHASA-N 1 3 370.493 2.611 20 0 FFADHO O[C@H](COCc1ccco1)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383736721 512881766 /nfs/dbraw/zinc/88/17/66/512881766.db2.gz ABYBEPXNFNPAAQ-HKBOAZHASA-N 1 3 370.493 2.611 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000368331745 512902724 /nfs/dbraw/zinc/90/27/24/512902724.db2.gz KNBGZILNTXXMAK-UHFFFAOYSA-N 1 3 363.521 2.944 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000376654328 512922485 /nfs/dbraw/zinc/92/24/85/512922485.db2.gz XPXTZUAZHRLYCE-DYESRHJHSA-N 1 3 355.526 2.888 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3CCC2CC3)[C@@H]1c1cccs1 ZINC000376659490 512924244 /nfs/dbraw/zinc/92/42/44/512924244.db2.gz LONRDWJNBKQWMB-CRAIPNDOSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN3CCC2CC3)[C@@H]1c1cccs1 ZINC000376659490 512924250 /nfs/dbraw/zinc/92/42/50/512924250.db2.gz LONRDWJNBKQWMB-CRAIPNDOSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN3CCC2CC3)[C@@H]1c1cccs1 ZINC000376659491 512924581 /nfs/dbraw/zinc/92/45/81/512924581.db2.gz LONRDWJNBKQWMB-MAUKXSAKSA-N 1 3 362.543 2.621 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN3CCC2CC3)[C@@H]1c1cccs1 ZINC000376659491 512924588 /nfs/dbraw/zinc/92/45/88/512924588.db2.gz LONRDWJNBKQWMB-MAUKXSAKSA-N 1 3 362.543 2.621 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000412125173 512970623 /nfs/dbraw/zinc/97/06/23/512970623.db2.gz GOYJDZKYJAKMNJ-OYSTVDSJSA-N 1 3 353.551 2.501 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000412125173 512970627 /nfs/dbraw/zinc/97/06/27/512970627.db2.gz GOYJDZKYJAKMNJ-OYSTVDSJSA-N 1 3 353.551 2.501 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412170848 512984943 /nfs/dbraw/zinc/98/49/43/512984943.db2.gz KWRDBXLKXFEBFJ-FQEVSTJZSA-N 1 3 361.530 2.759 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000374765662 512991265 /nfs/dbraw/zinc/99/12/65/512991265.db2.gz KXAZLZBZEUZDCC-URVUXULASA-N 1 3 358.574 2.513 20 0 FFADHO CN(C(=O)NC1CCN(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000368615226 513027288 /nfs/dbraw/zinc/02/72/88/513027288.db2.gz PMYBKOVSDGNYTC-WCRBZPEASA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NC1CCN(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000368615226 513027292 /nfs/dbraw/zinc/02/72/92/513027292.db2.gz PMYBKOVSDGNYTC-WCRBZPEASA-N 1 3 370.541 2.918 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374834049 513027915 /nfs/dbraw/zinc/02/79/15/513027915.db2.gz HDFOCSMWELCTQR-JBACZVJFSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374834049 513027921 /nfs/dbraw/zinc/02/79/21/513027921.db2.gz HDFOCSMWELCTQR-JBACZVJFSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000424471001 513161647 /nfs/dbraw/zinc/16/16/47/513161647.db2.gz CELWVYLELXTBSS-QRVBRYPASA-N 1 3 362.518 2.646 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000417686906 513162742 /nfs/dbraw/zinc/16/27/42/513162742.db2.gz GVWFXFXRXAGVEO-ROUUACIJSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417689736 513163879 /nfs/dbraw/zinc/16/38/79/513163879.db2.gz TZEYPIDUJYAUFK-VQIMIIECSA-N 1 3 360.546 2.886 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417743768 513192241 /nfs/dbraw/zinc/19/22/41/513192241.db2.gz MFZZTFYMELRKBD-BJJXKVORSA-N 1 3 372.435 2.735 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417815327 513218519 /nfs/dbraw/zinc/21/85/19/513218519.db2.gz BVWUNVLDIBPTSV-UIFIKXQLSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417815327 513218525 /nfs/dbraw/zinc/21/85/25/513218525.db2.gz BVWUNVLDIBPTSV-UIFIKXQLSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417814429 513218651 /nfs/dbraw/zinc/21/86/51/513218651.db2.gz AYWMLXXLRGYSBC-HOJAQTOUSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](N)c1ccccc1 ZINC000417815325 513218852 /nfs/dbraw/zinc/21/88/52/513218852.db2.gz BVWUNVLDIBPTSV-JRGCBEDISA-N 1 3 366.509 2.896 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H](N)c1ccccc1 ZINC000417815325 513218859 /nfs/dbraw/zinc/21/88/59/513218859.db2.gz BVWUNVLDIBPTSV-JRGCBEDISA-N 1 3 366.509 2.896 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000417838779 513230321 /nfs/dbraw/zinc/23/03/21/513230321.db2.gz NIAUMWXPHUGMDO-XEYPJELSSA-N 1 3 358.530 2.808 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000428951205 513231365 /nfs/dbraw/zinc/23/13/65/513231365.db2.gz FDTBDJKSTOMBKW-XLIONFOSSA-N 1 3 358.530 2.823 20 0 FFADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421347060 513231602 /nfs/dbraw/zinc/23/16/02/513231602.db2.gz BAZQSPHYPUTASX-RKFFNLMFSA-N 1 3 355.526 2.778 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000417842435 513233853 /nfs/dbraw/zinc/23/38/53/513233853.db2.gz PTIDQZATXXIYSS-YSIASYRMSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(N(C)C(C)C)nc3)CC2)CC1 ZINC000421369307 513240382 /nfs/dbraw/zinc/24/03/82/513240382.db2.gz HCLCJGXCMPRKFW-UHFFFAOYSA-N 1 3 373.589 2.918 20 0 FFADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000429029070 513261462 /nfs/dbraw/zinc/26/14/62/513261462.db2.gz DHGRDIRYCUNYNC-DYVFJYSZSA-N 1 3 359.297 2.761 20 0 FFADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000429029070 513261465 /nfs/dbraw/zinc/26/14/65/513261465.db2.gz DHGRDIRYCUNYNC-DYVFJYSZSA-N 1 3 359.297 2.761 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446615917 513296824 /nfs/dbraw/zinc/29/68/24/513296824.db2.gz SJIXQVHSBMWZNS-UHFFFAOYSA-N 1 3 368.472 2.522 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446744496 513329785 /nfs/dbraw/zinc/32/97/85/513329785.db2.gz NXTYMSBGMBJVQG-YLJYHZDGSA-N 1 3 357.502 2.740 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418027892 513340438 /nfs/dbraw/zinc/34/04/38/513340438.db2.gz GVBKIVQFUGBKOX-AABGKKOBSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418044035 513350957 /nfs/dbraw/zinc/35/09/57/513350957.db2.gz ZPGSFOHUQQIJMW-IHPCNDPISA-N 1 3 360.546 2.912 20 0 FFADHO CCCN(C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000418049935 513354010 /nfs/dbraw/zinc/35/40/10/513354010.db2.gz ZKZDGLSMOZGQIS-FPOVZHCZSA-N 1 3 358.530 2.825 20 0 FFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000450892419 513387906 /nfs/dbraw/zinc/38/79/06/513387906.db2.gz OBXVPHFSWWOLOV-KRWDZBQOSA-N 1 3 366.509 2.896 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000418139898 513388687 /nfs/dbraw/zinc/38/86/87/513388687.db2.gz KDKHZFJIHBBUFF-XLIONFOSSA-N 1 3 358.530 2.586 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418150729 513393671 /nfs/dbraw/zinc/39/36/71/513393671.db2.gz DIDHKNQKCCOWFT-PMACEKPBSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418154305 513395204 /nfs/dbraw/zinc/39/52/04/513395204.db2.gz JSJCWKUVNXXGAT-JRGCBEDISA-N 1 3 366.509 2.549 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)CN1 ZINC000418164045 513399877 /nfs/dbraw/zinc/39/98/77/513399877.db2.gz WSLJJASYDYNKJJ-AOIWGVFYSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)CN1 ZINC000418164045 513399881 /nfs/dbraw/zinc/39/98/81/513399881.db2.gz WSLJJASYDYNKJJ-AOIWGVFYSA-N 1 3 358.530 2.679 20 0 FFADHO COC(=O)CC1(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000440772209 513401508 /nfs/dbraw/zinc/40/15/08/513401508.db2.gz BALGHQIXPPLLAS-IRXDYDNUSA-N 1 3 352.519 2.541 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418175776 513406444 /nfs/dbraw/zinc/40/64/44/513406444.db2.gz VVVGURIWWVOMPH-UZLBHIALSA-N 1 3 374.529 2.571 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N(C)C ZINC000418187572 513412345 /nfs/dbraw/zinc/41/23/45/513412345.db2.gz STJSPNYLKHFBLI-PNYFIKQUSA-N 1 3 358.530 2.627 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N(C)C ZINC000418191030 513414639 /nfs/dbraw/zinc/41/46/39/513414639.db2.gz XBEXWFXOWWEGMN-SLYNCCJLSA-N 1 3 358.530 2.771 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCN1Cc1ccccc1 ZINC000418197995 513417582 /nfs/dbraw/zinc/41/75/82/513417582.db2.gz URENAOSXQFOZBE-QMMLZNLJSA-N 1 3 370.541 2.681 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N(CC)CC)cc1 ZINC000418208748 513422714 /nfs/dbraw/zinc/42/27/14/513422714.db2.gz DIOZUHHSNFZQBU-QUCCMNQESA-N 1 3 360.546 2.931 20 0 FFADHO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415801059 513427864 /nfs/dbraw/zinc/42/78/64/513427864.db2.gz FUCKBWCDQMNQGO-NEPJUHHUSA-N 1 3 354.882 2.670 20 0 FFADHO COc1cc2[nH+]ccc(N3CCC(N4CCO[C@H](C)C4)CC3)c2cc1OC ZINC000413080512 513430894 /nfs/dbraw/zinc/43/08/94/513430894.db2.gz OTZWAFXWOUDIMD-OAHLLOKOSA-N 1 3 371.481 2.942 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000418236004 513434951 /nfs/dbraw/zinc/43/49/51/513434951.db2.gz LYGNXYHTHZWTPH-BJLQDIEVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000418236004 513434955 /nfs/dbraw/zinc/43/49/55/513434955.db2.gz LYGNXYHTHZWTPH-BJLQDIEVSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CC[NH2+]CC1 ZINC000418310852 513459470 /nfs/dbraw/zinc/45/94/70/513459470.db2.gz PVEKGSPHAPXZQD-UHFFFAOYSA-N 1 3 372.435 2.531 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441018605 513461978 /nfs/dbraw/zinc/46/19/78/513461978.db2.gz GOQFALDEVRZOCJ-SFHVURJKSA-N 1 3 362.562 2.816 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000441018605 513461987 /nfs/dbraw/zinc/46/19/87/513461987.db2.gz GOQFALDEVRZOCJ-SFHVURJKSA-N 1 3 362.562 2.816 20 0 FFADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418342316 513473969 /nfs/dbraw/zinc/47/39/69/513473969.db2.gz MVDRVMFFJLKKHR-IFMALSPDSA-N 1 3 370.541 2.684 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418347250 513475973 /nfs/dbraw/zinc/47/59/73/513475973.db2.gz NIONSDRYFIVFON-HXUWFJFHSA-N 1 3 360.546 2.582 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)NCC1(SC)CCN(C)CC1 ZINC000415928685 513484356 /nfs/dbraw/zinc/48/43/56/513484356.db2.gz GLPKEOISSZEJLS-UHFFFAOYSA-N 1 3 350.532 2.745 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418367745 513485661 /nfs/dbraw/zinc/48/56/61/513485661.db2.gz LMWMLQRPKGWYHN-ICSRJNTNSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000418393986 513494735 /nfs/dbraw/zinc/49/47/35/513494735.db2.gz FXPIQKKVBPILNH-ACAXCVFMSA-N 1 3 358.530 2.951 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000418402098 513495248 /nfs/dbraw/zinc/49/52/48/513495248.db2.gz AXWSOZPCNZWVHF-MISYRCLQSA-N 1 3 358.530 2.810 20 0 FFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCN(C2CCCCC2)CC1 ZINC000415951450 513495688 /nfs/dbraw/zinc/49/56/88/513495688.db2.gz FKVKCKNHAAJGJP-UHFFFAOYSA-N 1 3 360.477 2.954 20 0 FFADHO C[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000415951862 513497317 /nfs/dbraw/zinc/49/73/17/513497317.db2.gz JOSTXQFIXBNEHX-LLVKDONJSA-N 1 3 356.392 2.936 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425409280 513550737 /nfs/dbraw/zinc/55/07/37/513550737.db2.gz UQSWAPSMMKLHRI-PZJWPPBQSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418557147 513557589 /nfs/dbraw/zinc/55/75/89/513557589.db2.gz FSOQPDHYBWGHJZ-SXLOBPIMSA-N 1 3 358.530 2.823 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000418609185 513575839 /nfs/dbraw/zinc/57/58/39/513575839.db2.gz BTEWPUBBVUSKMC-SJORKVTESA-N 1 3 352.910 2.759 20 0 FFADHO CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418629959 513582938 /nfs/dbraw/zinc/58/29/38/513582938.db2.gz WYBLVBWDCGTUDI-WOJBJXKFSA-N 1 3 358.530 2.810 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000418649024 513591527 /nfs/dbraw/zinc/59/15/27/513591527.db2.gz IPVLISZPDSVEGZ-HXUWFJFHSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418666817 513602585 /nfs/dbraw/zinc/60/25/85/513602585.db2.gz DMPDWWWSVRQBJO-NQIIRXRSSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000422154780 513602721 /nfs/dbraw/zinc/60/27/21/513602721.db2.gz IJVFQLUIEZXOQN-WOJBJXKFSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000422154780 513602726 /nfs/dbraw/zinc/60/27/26/513602726.db2.gz IJVFQLUIEZXOQN-WOJBJXKFSA-N 1 3 358.530 2.868 20 0 FFADHO CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418702389 513618009 /nfs/dbraw/zinc/61/80/09/513618009.db2.gz ANMHJQSSVIXPCQ-OAHLLOKOSA-N 1 3 360.424 2.516 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418709089 513619646 /nfs/dbraw/zinc/61/96/46/513619646.db2.gz CUQWQXQTUQHWSO-VQTJNVASSA-N 1 3 360.546 2.710 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000418745993 513635459 /nfs/dbraw/zinc/63/54/59/513635459.db2.gz WSNONYFIJGXDAS-RTBURBONSA-N 1 3 358.530 2.810 20 0 FFADHO CN(CCC(=O)Nc1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435623419 513641282 /nfs/dbraw/zinc/64/12/82/513641282.db2.gz UWGUDBYLSCCHBQ-HNNXBMFYSA-N 1 3 354.292 2.852 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418757280 513641934 /nfs/dbraw/zinc/64/19/34/513641934.db2.gz YTEIKNTXIOLFKQ-ICSRJNTNSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000416238194 513667479 /nfs/dbraw/zinc/66/74/79/513667479.db2.gz HIKUUVGWRVOHRZ-BBTUJRGHSA-N 1 3 355.526 2.624 20 0 FFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)CCN2CCc3ccccc3C2)C[C@@H](C)C1 ZINC000416238194 513667482 /nfs/dbraw/zinc/66/74/82/513667482.db2.gz HIKUUVGWRVOHRZ-BBTUJRGHSA-N 1 3 355.526 2.624 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC2([S@@](C)=O)CCC2)CC1 ZINC000435723793 513667980 /nfs/dbraw/zinc/66/79/80/513667980.db2.gz AAFFINSFBAPKTB-RUZDIDTESA-N 1 3 363.571 2.609 20 0 FFADHO [NH3+]CCCOC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000430590086 513697123 /nfs/dbraw/zinc/69/71/23/513697123.db2.gz GUTJNMJJVDLBCB-UHFFFAOYSA-N 1 3 355.482 2.990 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425694127 513706159 /nfs/dbraw/zinc/70/61/59/513706159.db2.gz VYXXBFDWAJXBII-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425694127 513706166 /nfs/dbraw/zinc/70/61/66/513706166.db2.gz VYXXBFDWAJXBII-BVOGOJNSSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000448222829 513711235 /nfs/dbraw/zinc/71/12/35/513711235.db2.gz LUVUEOKQNPORLZ-RTBURBONSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000448222829 513711243 /nfs/dbraw/zinc/71/12/43/513711243.db2.gz LUVUEOKQNPORLZ-RTBURBONSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430886616 513773588 /nfs/dbraw/zinc/77/35/88/513773588.db2.gz BXYZGIZPEWHJAZ-IRXDYDNUSA-N 1 3 356.514 2.983 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000431038056 513811516 /nfs/dbraw/zinc/81/15/16/513811516.db2.gz RCKFWNZFVUASJQ-NRFANRHFSA-N 1 3 351.494 2.757 20 0 FFADHO COC[C@@H](CCC[NH3+])NCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422705904 513908046 /nfs/dbraw/zinc/90/80/46/513908046.db2.gz CXUHKUGKXRMFGT-LJQANCHMSA-N 1 3 359.445 2.922 20 0 FFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422720411 513911973 /nfs/dbraw/zinc/91/19/73/513911973.db2.gz ZKLVQGHQJCGLOM-UGKGYDQZSA-N 1 3 358.574 2.834 20 0 FFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422717951 513912034 /nfs/dbraw/zinc/91/20/34/513912034.db2.gz WMRKUCXWOMJZOA-PXNSSMCTSA-N 1 3 373.541 2.787 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422750812 513922035 /nfs/dbraw/zinc/92/20/35/513922035.db2.gz BTBASFAQIQSZMM-BTYIYWSLSA-N 1 3 372.488 2.712 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cc(OC)ccc2OC)CC[NH2+]CC1 ZINC000422760633 513923220 /nfs/dbraw/zinc/92/32/20/513923220.db2.gz GUBOGVHPQTXYTA-HUUCEWRRSA-N 1 3 364.486 2.676 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2OCC2CC2)CC[NH2+]CC1 ZINC000422763992 513925649 /nfs/dbraw/zinc/92/56/49/513925649.db2.gz JMWPOALNBVXAMS-MRXNPFEDSA-N 1 3 360.498 2.886 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762426 513926176 /nfs/dbraw/zinc/92/61/76/513926176.db2.gz NPICIBTWTHOENO-JCGIZDLHSA-N 1 3 352.906 2.730 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000422762426 513926178 /nfs/dbraw/zinc/92/61/78/513926178.db2.gz NPICIBTWTHOENO-JCGIZDLHSA-N 1 3 352.906 2.730 20 0 FFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422770227 513927866 /nfs/dbraw/zinc/92/78/66/513927866.db2.gz PXFBKZJMVAVOEU-FDFHNCONSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422787401 513932197 /nfs/dbraw/zinc/93/21/97/513932197.db2.gz QFSADXMTOCZBEX-JVPBZIDWSA-N 1 3 351.922 2.646 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2cc(F)ccc2SC)CC[NH2+]CC1 ZINC000422804612 513937611 /nfs/dbraw/zinc/93/76/11/513937611.db2.gz HTYIDVHPRWQDQA-CYBMUJFWSA-N 1 3 354.491 2.959 20 0 FFADHO COC[C@H](CCC[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000422832323 513945109 /nfs/dbraw/zinc/94/51/09/513945109.db2.gz FQCICKCGQQUZSZ-IBGZPJMESA-N 1 3 365.481 2.778 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422873792 513958244 /nfs/dbraw/zinc/95/82/44/513958244.db2.gz BBELROOLHVUKHI-WTNAPCKOSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422873792 513958251 /nfs/dbraw/zinc/95/82/51/513958251.db2.gz BBELROOLHVUKHI-WTNAPCKOSA-N 1 3 357.542 2.775 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000422885899 513965146 /nfs/dbraw/zinc/96/51/46/513965146.db2.gz ZJRUDSMWJXQGOH-CVEARBPZSA-N 1 3 353.304 2.967 20 0 FFADHO CCOC(=O)COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422923585 513976556 /nfs/dbraw/zinc/97/65/56/513976556.db2.gz WRBGOZNMJZEOHS-ZCNNSNEGSA-N 1 3 360.498 2.681 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000416829183 513987534 /nfs/dbraw/zinc/98/75/34/513987534.db2.gz FLWMUCXNZBKMSS-WOJBJXKFSA-N 1 3 372.557 2.579 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416836655 513991566 /nfs/dbraw/zinc/99/15/66/513991566.db2.gz GWIXOIWPAIOUJM-PZJWPPBQSA-N 1 3 366.509 2.823 20 0 FFADHO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000431791865 514002849 /nfs/dbraw/zinc/00/28/49/514002849.db2.gz SEXBHBBQGFAZSX-KRWDZBQOSA-N 1 3 371.529 2.572 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000431791865 514002858 /nfs/dbraw/zinc/00/28/58/514002858.db2.gz SEXBHBBQGFAZSX-KRWDZBQOSA-N 1 3 371.529 2.572 20 0 FFADHO COc1cccc([C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416852321 514003015 /nfs/dbraw/zinc/00/30/15/514003015.db2.gz MKMVPSHRJYIRHF-ICSRJNTNSA-N 1 3 374.529 2.664 20 0 FFADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414194062 514005678 /nfs/dbraw/zinc/00/56/78/514005678.db2.gz MZXZUDHAJPHFIB-UXHICEINSA-N 1 3 351.579 2.978 20 0 FFADHO CN1CCC(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414194099 514006434 /nfs/dbraw/zinc/00/64/34/514006434.db2.gz NFVKNPYDHOKZOU-FCHUYYIVSA-N 1 3 371.569 2.883 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000443622326 514007577 /nfs/dbraw/zinc/00/75/77/514007577.db2.gz BLFWVZQQCVTNAA-JYBIWHBTSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000443622326 514007588 /nfs/dbraw/zinc/00/75/88/514007588.db2.gz BLFWVZQQCVTNAA-JYBIWHBTSA-N 1 3 358.530 2.804 20 0 FFADHO COc1cccc([C@H](CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])N2CCCC2)c1 ZINC000416862678 514011027 /nfs/dbraw/zinc/01/10/27/514011027.db2.gz YOPMISVQEGXCTL-IHPCNDPISA-N 1 3 374.529 2.649 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000423052183 514018555 /nfs/dbraw/zinc/01/85/55/514018555.db2.gz PYNDINUVASZBBJ-SJWGOKEGSA-N 1 3 359.436 2.650 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000414272176 514029080 /nfs/dbraw/zinc/02/90/80/514029080.db2.gz RNKANFGOOMEKOG-ZHHKINOHSA-N 1 3 359.558 2.843 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416902834 514036339 /nfs/dbraw/zinc/03/63/39/514036339.db2.gz MGXWHSNARYBZBX-NRFANRHFSA-N 1 3 356.514 2.568 20 0 FFADHO CCCCNC(=O)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426777389 514039546 /nfs/dbraw/zinc/03/95/46/514039546.db2.gz MXTHBSRTJBWRFD-ROUUACIJSA-N 1 3 353.551 2.504 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423106418 514044630 /nfs/dbraw/zinc/04/46/30/514044630.db2.gz CRJQVYQXHWVNIA-FXAWDEMLSA-N 1 3 366.509 2.733 20 0 FFADHO O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423112353 514045485 /nfs/dbraw/zinc/04/54/85/514045485.db2.gz JVPJHVDPURGHKO-JSXRDJHFSA-N 1 3 355.526 2.730 20 0 FFADHO C[C@](CO)(CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423115323 514047235 /nfs/dbraw/zinc/04/72/35/514047235.db2.gz XUCDZNMRWJTHQD-FCEUIQTBSA-N 1 3 352.478 2.782 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000416946247 514059482 /nfs/dbraw/zinc/05/94/82/514059482.db2.gz APVKROBGMOGWCR-LJQANCHMSA-N 1 3 352.482 2.658 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170353 514068021 /nfs/dbraw/zinc/06/80/21/514068021.db2.gz LRKRVOSXCDIYIP-IFIJOSMWSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170353 514068025 /nfs/dbraw/zinc/06/80/25/514068025.db2.gz LRKRVOSXCDIYIP-IFIJOSMWSA-N 1 3 373.310 2.717 20 0 FFADHO CSC[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423193067 514075645 /nfs/dbraw/zinc/07/56/45/514075645.db2.gz WKWCACSJPATOKU-MRXNPFEDSA-N 1 3 361.477 2.994 20 0 FFADHO O=C(NC[C@@H]1CCCN([C@H]2CCc3c2cccc3Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000420318370 514089807 /nfs/dbraw/zinc/08/98/07/514089807.db2.gz NZFAEEUYSQERHZ-JVPBZIDWSA-N 1 3 361.917 2.908 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@@H]21 ZINC000420316471 514090063 /nfs/dbraw/zinc/09/00/63/514090063.db2.gz YFFAABGLQHEMAL-VGOVLVCLSA-N 1 3 351.853 2.644 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000420338840 514100016 /nfs/dbraw/zinc/10/00/16/514100016.db2.gz OBWRDLNWKMDFFF-ORYQWCPZSA-N 1 3 355.526 2.674 20 0 FFADHO CC(C)(C)c1ccc(CCNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420343738 514103060 /nfs/dbraw/zinc/10/30/60/514103060.db2.gz RMZDGTMDRRIZNZ-KDURUIRLSA-N 1 3 357.542 2.574 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000417012234 514117565 /nfs/dbraw/zinc/11/75/65/514117565.db2.gz WLKFIVXLLLYEDP-USXIJHARSA-N 1 3 352.548 2.948 20 0 FFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000423371681 514120751 /nfs/dbraw/zinc/12/07/51/514120751.db2.gz APTGDKYQZGATQG-SMDDNHRTSA-N 1 3 367.362 2.775 20 0 FFADHO CCN1CCN(CCC[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449221450 514120761 /nfs/dbraw/zinc/12/07/61/514120761.db2.gz SXIRZCQAGNUHHD-NRFANRHFSA-N 1 3 372.601 2.699 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2o1 ZINC000420387186 514122183 /nfs/dbraw/zinc/12/21/83/514122183.db2.gz JYKRTXBCVFUTMC-HKUYNNGSSA-N 1 3 372.465 2.938 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417020464 514125073 /nfs/dbraw/zinc/12/50/73/514125073.db2.gz JDGAIHZYTQQSCI-NHCUHLMSSA-N 1 3 370.541 2.997 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423388344 514125322 /nfs/dbraw/zinc/12/53/22/514125322.db2.gz NKRBZMUGJWPNJQ-USXIJHARSA-N 1 3 353.532 2.638 20 0 FFADHO CC[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000417023707 514126113 /nfs/dbraw/zinc/12/61/13/514126113.db2.gz WFCMYOUCCFTOEA-JQKXYWIWSA-N 1 3 370.541 2.748 20 0 FFADHO CCSc1cccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414478662 514143945 /nfs/dbraw/zinc/14/39/45/514143945.db2.gz FQHIRNHRCDHICY-UHFFFAOYSA-N 1 3 363.571 2.685 20 0 FFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000423459183 514146652 /nfs/dbraw/zinc/14/66/52/514146652.db2.gz QWLKZRMAKVJUJN-XZOAIXRZSA-N 1 3 367.440 2.585 20 0 FFADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423512757 514158163 /nfs/dbraw/zinc/15/81/63/514158163.db2.gz PDSWMUYLTRFQMS-PMACEKPBSA-N 1 3 373.522 2.781 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000444264916 514172494 /nfs/dbraw/zinc/17/24/94/514172494.db2.gz DWTOPTNRCRNUBT-IMJJTQAJSA-N 1 3 355.404 2.566 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CN1Cc1ccccc1 ZINC000449366953 514183783 /nfs/dbraw/zinc/18/37/83/514183783.db2.gz TWKWRQFMAKIEPP-RZFNWQHOSA-N 1 3 363.505 2.697 20 0 FFADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCO1 ZINC000432414166 514188441 /nfs/dbraw/zinc/18/84/41/514188441.db2.gz QTCOFYHMQNXFIM-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000417166911 514205047 /nfs/dbraw/zinc/20/50/47/514205047.db2.gz YVUQVHNPYSXCLZ-OXQOHEQNSA-N 1 3 354.498 2.871 20 0 FFADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423749868 514217931 /nfs/dbraw/zinc/21/79/31/514217931.db2.gz CQOFPXGILVTXSR-ICSRJNTNSA-N 1 3 361.917 2.764 20 0 FFADHO NC[C@H](NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000449505960 514231292 /nfs/dbraw/zinc/23/12/92/514231292.db2.gz ZTVMLZUNDZIVTQ-JTHBVZDNSA-N 1 3 359.473 2.887 20 0 FFADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(CCCc3cnccc3C)C2)CC1 ZINC000449509432 514233105 /nfs/dbraw/zinc/23/31/05/514233105.db2.gz WGOYDKDNSMHPME-OAQYLSRUSA-N 1 3 372.557 2.589 20 0 FFADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(CCCc3cnccc3C)C2)CC1 ZINC000449509432 514233110 /nfs/dbraw/zinc/23/31/10/514233110.db2.gz WGOYDKDNSMHPME-OAQYLSRUSA-N 1 3 372.557 2.589 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000414673655 514236000 /nfs/dbraw/zinc/23/60/00/514236000.db2.gz JDILZWJFOAZAGH-GCJKJVERSA-N 1 3 363.505 2.831 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000414673655 514236003 /nfs/dbraw/zinc/23/60/03/514236003.db2.gz JDILZWJFOAZAGH-GCJKJVERSA-N 1 3 363.505 2.831 20 0 FFADHO CCN1CC[C@H]([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)[C@@H](C)C1 ZINC000449524691 514240188 /nfs/dbraw/zinc/24/01/88/514240188.db2.gz PBJFDUUNLWLWOO-JTSKRJEESA-N 1 3 372.557 2.929 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000417221187 514241259 /nfs/dbraw/zinc/24/12/59/514241259.db2.gz NMGPZTOXRVWTPC-AZUAARDMSA-N 1 3 370.541 2.997 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000414702348 514248509 /nfs/dbraw/zinc/24/85/09/514248509.db2.gz AYNGIBQEKBZUGN-GOEBONIOSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000414702348 514248516 /nfs/dbraw/zinc/24/85/16/514248516.db2.gz AYNGIBQEKBZUGN-GOEBONIOSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000414702627 514250197 /nfs/dbraw/zinc/25/01/97/514250197.db2.gz VAVMXODWTVBBRN-HNNXBMFYSA-N 1 3 365.468 2.907 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000414702627 514250207 /nfs/dbraw/zinc/25/02/07/514250207.db2.gz VAVMXODWTVBBRN-HNNXBMFYSA-N 1 3 365.468 2.907 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCc2ccc(F)cc2)C2CCCC2)C1 ZINC000414741645 514267420 /nfs/dbraw/zinc/26/74/20/514267420.db2.gz FJAYZUUSWILYHB-SFHVURJKSA-N 1 3 361.505 2.810 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)C1 ZINC000414741645 514267424 /nfs/dbraw/zinc/26/74/24/514267424.db2.gz FJAYZUUSWILYHB-SFHVURJKSA-N 1 3 361.505 2.810 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414814523 514305837 /nfs/dbraw/zinc/30/58/37/514305837.db2.gz NYJBAFSONGMGSE-LSDHHAIUSA-N 1 3 369.465 3.000 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000444857720 514352252 /nfs/dbraw/zinc/35/22/52/514352252.db2.gz XALMQTOEUYYBPI-UHFFFAOYSA-N 1 3 362.518 2.871 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414941939 514366659 /nfs/dbraw/zinc/36/66/59/514366659.db2.gz CYIVCFIUOXNRPL-LALPHHSUSA-N 1 3 354.292 2.896 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414941939 514366665 /nfs/dbraw/zinc/36/66/65/514366665.db2.gz CYIVCFIUOXNRPL-LALPHHSUSA-N 1 3 354.292 2.896 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000420911593 514370987 /nfs/dbraw/zinc/37/09/87/514370987.db2.gz YQWBTIZQJDZQCY-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccnc2s1 ZINC000449828764 514376988 /nfs/dbraw/zinc/37/69/88/514376988.db2.gz XWISLKBCHMWGEW-INIZCTEOSA-N 1 3 360.527 2.784 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000420924515 514378600 /nfs/dbraw/zinc/37/86/00/514378600.db2.gz JZQHGDJCGFPCGA-OALUTQOASA-N 1 3 367.578 2.845 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000420924515 514378604 /nfs/dbraw/zinc/37/86/04/514378604.db2.gz JZQHGDJCGFPCGA-OALUTQOASA-N 1 3 367.578 2.845 20 0 FFADHO FC(F)(F)c1ccccc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414986132 514387201 /nfs/dbraw/zinc/38/72/01/514387201.db2.gz NMBDGRCHJPYVET-ZDUSSCGKSA-N 1 3 355.326 2.631 20 0 FFADHO Brc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc2c1OCCO2 ZINC000415009064 514401028 /nfs/dbraw/zinc/40/10/28/514401028.db2.gz NRRYYTBEDHQMSY-DZGCQCFKSA-N 1 3 367.287 2.698 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N(C)Cc1ccccc1 ZINC000417575910 514416434 /nfs/dbraw/zinc/41/64/34/514416434.db2.gz GOTUCUKLPFMODN-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000428247494 514431343 /nfs/dbraw/zinc/43/13/43/514431343.db2.gz OASIOIDNBNCHQL-MXEMCNAFSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000428247494 514431350 /nfs/dbraw/zinc/43/13/50/514431350.db2.gz OASIOIDNBNCHQL-MXEMCNAFSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000428247494 514431357 /nfs/dbraw/zinc/43/13/57/514431357.db2.gz OASIOIDNBNCHQL-MXEMCNAFSA-N 1 3 355.526 2.888 20 0 FFADHO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000428278372 514439249 /nfs/dbraw/zinc/43/92/49/514439249.db2.gz UZKXPYFNBBMQEY-OAQYLSRUSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000428278370 514439311 /nfs/dbraw/zinc/43/93/11/514439311.db2.gz UZKXPYFNBBMQEY-NRFANRHFSA-N 1 3 370.541 2.997 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622148 514440904 /nfs/dbraw/zinc/44/09/04/514440904.db2.gz GPQGANGXHXJRQQ-QGZVFWFLSA-N 1 3 370.607 2.753 20 0 FFADHO COC(=O)CC1CC([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000424271109 514441565 /nfs/dbraw/zinc/44/15/65/514441565.db2.gz OOVRFMOYVSGMEA-UHFFFAOYSA-N 1 3 360.498 2.839 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424288679 514447601 /nfs/dbraw/zinc/44/76/01/514447601.db2.gz KYGYPHUVPDYDQR-QGZVFWFLSA-N 1 3 359.514 2.556 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424298195 514449551 /nfs/dbraw/zinc/44/95/51/514449551.db2.gz UBDJJGJBGILKNI-SFHVURJKSA-N 1 3 355.526 2.950 20 0 FFADHO CC1CC[NH+](CCC[C@H](NC[C@H](O)CN(C)C)c2ccc(F)cc2)CC1 ZINC000438840538 514451376 /nfs/dbraw/zinc/45/13/76/514451376.db2.gz XTRYXFPEVVORDZ-SFTDATJTSA-N 1 3 365.537 2.891 20 0 FFADHO CCC[C@H](CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415133402 514460124 /nfs/dbraw/zinc/46/01/24/514460124.db2.gz CEJZZSMUPSWZAQ-HLAWJBBLSA-N 1 3 370.541 2.790 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[NH+](C)C)cc1 ZINC000438886272 514460760 /nfs/dbraw/zinc/46/07/60/514460760.db2.gz WKIONDHDJGSWST-FPOVZHCZSA-N 1 3 364.493 2.765 20 0 FFADHO C[C@](Cc1ccccc1)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415135078 514461859 /nfs/dbraw/zinc/46/18/59/514461859.db2.gz FMIVYOIBZIILII-NFBKMPQASA-N 1 3 365.521 2.931 20 0 FFADHO C[C@@](Cc1ccccc1)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415135084 514462077 /nfs/dbraw/zinc/46/20/77/514462077.db2.gz FMIVYOIBZIILII-OFNKIYASSA-N 1 3 365.521 2.931 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000433365672 514472707 /nfs/dbraw/zinc/47/27/07/514472707.db2.gz XGDKFNUENQVMNE-JBACZVJFSA-N 1 3 370.541 2.940 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000433365672 514472712 /nfs/dbraw/zinc/47/27/12/514472712.db2.gz XGDKFNUENQVMNE-JBACZVJFSA-N 1 3 370.541 2.940 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000439192016 514506030 /nfs/dbraw/zinc/50/60/30/514506030.db2.gz RRIJRYUMMARNCA-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000439192016 514506035 /nfs/dbraw/zinc/50/60/35/514506035.db2.gz RRIJRYUMMARNCA-OALUTQOASA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000439227536 514510614 /nfs/dbraw/zinc/51/06/14/514510614.db2.gz UGGQRXQPWDHBAD-DMUMMCEESA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[NH+]1CCCC1 ZINC000465897066 514514064 /nfs/dbraw/zinc/51/40/64/514514064.db2.gz FGTIRCHKGIYTLI-FQEVSTJZSA-N 1 3 372.557 2.505 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445843379 514531654 /nfs/dbraw/zinc/53/16/54/514531654.db2.gz QRRKPPOHIQFPBS-UHFFFAOYSA-N 1 3 358.530 2.743 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000466000705 514536138 /nfs/dbraw/zinc/53/61/38/514536138.db2.gz IQUJSUXALQNWGL-LZLYRXPVSA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000466000705 514536142 /nfs/dbraw/zinc/53/61/42/514536142.db2.gz IQUJSUXALQNWGL-LZLYRXPVSA-N 1 3 364.559 2.915 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453085594 514540391 /nfs/dbraw/zinc/54/03/91/514540391.db2.gz OPXNIYFXRNIURF-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[N@@H+]1C ZINC000466037834 514545900 /nfs/dbraw/zinc/54/59/00/514545900.db2.gz JOGNSZWRPFHSPX-KONPQCLYSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000466037834 514545909 /nfs/dbraw/zinc/54/59/09/514545909.db2.gz JOGNSZWRPFHSPX-KONPQCLYSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)CC[N@@H+]1C ZINC000466053378 514549888 /nfs/dbraw/zinc/54/98/88/514549888.db2.gz UMFDFWAAVPKXED-UYAOXDASSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)CC[N@H+]1C ZINC000466053378 514549897 /nfs/dbraw/zinc/54/98/97/514549897.db2.gz UMFDFWAAVPKXED-UYAOXDASSA-N 1 3 360.546 2.675 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000466148170 514566086 /nfs/dbraw/zinc/56/60/86/514566086.db2.gz ZYDFNLYJZGWPHA-LSTHTHJFSA-N 1 3 358.530 2.851 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000458096435 514567260 /nfs/dbraw/zinc/56/72/60/514567260.db2.gz RFQJKPGUSUWPPZ-YOEHRIQHSA-N 1 3 352.548 2.651 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466209757 514576882 /nfs/dbraw/zinc/57/68/82/514576882.db2.gz JQFIYGYEYQCTJY-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420655 514610943 /nfs/dbraw/zinc/61/09/43/514610943.db2.gz ARSPAMIISKENKI-PWRODBHTSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420655 514610948 /nfs/dbraw/zinc/61/09/48/514610948.db2.gz ARSPAMIISKENKI-PWRODBHTSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000466348813 514617527 /nfs/dbraw/zinc/61/75/27/514617527.db2.gz XHZIKPOPTPOBCU-QHAWAJNXSA-N 1 3 373.541 2.663 20 0 FFADHO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000475365254 514636208 /nfs/dbraw/zinc/63/62/08/514636208.db2.gz CKTYBRHWQCLVQK-UHFFFAOYSA-N 1 3 362.562 2.911 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000497835179 514653140 /nfs/dbraw/zinc/65/31/40/514653140.db2.gz DLLRUXPIJKRCJY-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000497835179 514653150 /nfs/dbraw/zinc/65/31/50/514653150.db2.gz DLLRUXPIJKRCJY-GOSISDBHSA-N 1 3 350.551 2.911 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)[C@@H]2C1 ZINC000498130770 514772395 /nfs/dbraw/zinc/77/23/95/514772395.db2.gz HKSZSWMAPYHXFJ-RBUKOAKNSA-N 1 3 362.562 2.911 20 0 FFADHO CCCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000498199797 514800447 /nfs/dbraw/zinc/80/04/47/514800447.db2.gz DUTHOQKVJWTXIT-SJORKVTESA-N 1 3 353.457 2.872 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)c1ccsc1 ZINC000502917365 514841841 /nfs/dbraw/zinc/84/18/41/514841841.db2.gz JASUFPWIHYRAPA-WBVHZDCISA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccsc1 ZINC000502917365 514841848 /nfs/dbraw/zinc/84/18/48/514841848.db2.gz JASUFPWIHYRAPA-WBVHZDCISA-N 1 3 352.548 2.867 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)CC[C@H]1C)Cc1ccccc1 ZINC000502948972 514852514 /nfs/dbraw/zinc/85/25/14/514852514.db2.gz KSSQQCVFGXJFHR-QUCCMNQESA-N 1 3 360.546 2.675 20 0 FFADHO CN(C)[C@@]1(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCSC1 ZINC000455944746 514854134 /nfs/dbraw/zinc/85/41/34/514854134.db2.gz VWJSRFOWLPCDTD-PKOBYXMFSA-N 1 3 362.543 2.794 20 0 FFADHO CN(C)[C@@]1(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCSC1 ZINC000455944742 514854210 /nfs/dbraw/zinc/85/42/10/514854210.db2.gz VWJSRFOWLPCDTD-IEBWSBKVSA-N 1 3 362.543 2.794 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000489548613 514890561 /nfs/dbraw/zinc/89/05/61/514890561.db2.gz IEEQHZMCOKNKIO-LFGUQSLTSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000489548613 514890573 /nfs/dbraw/zinc/89/05/73/514890573.db2.gz IEEQHZMCOKNKIO-LFGUQSLTSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000462177391 514925891 /nfs/dbraw/zinc/92/58/91/514925891.db2.gz RMKIWQFJVDUKCV-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000462177391 514925897 /nfs/dbraw/zinc/92/58/97/514925897.db2.gz RMKIWQFJVDUKCV-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462192460 514931598 /nfs/dbraw/zinc/93/15/98/514931598.db2.gz BXWMYVUNDLXYJW-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462192460 514931609 /nfs/dbraw/zinc/93/16/09/514931609.db2.gz BXWMYVUNDLXYJW-SXLOBPIMSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC(C)(C)CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000458592498 514933450 /nfs/dbraw/zinc/93/34/50/514933450.db2.gz MMYCEKXSGQKTAC-IEBWSBKVSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC(C)(C)CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000458592498 514933457 /nfs/dbraw/zinc/93/34/57/514933457.db2.gz MMYCEKXSGQKTAC-IEBWSBKVSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](N2CC=CC2)C1)[NH+](C)C ZINC000508878187 514934886 /nfs/dbraw/zinc/93/48/86/514934886.db2.gz GUGJPXHVJNQJIF-BJLQDIEVSA-N 1 3 356.514 2.642 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000503147515 514934911 /nfs/dbraw/zinc/93/49/11/514934911.db2.gz XTFKZLUWTDMNQY-UXHICEINSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000503147515 514934918 /nfs/dbraw/zinc/93/49/18/514934918.db2.gz XTFKZLUWTDMNQY-UXHICEINSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458634533 514974262 /nfs/dbraw/zinc/97/42/62/514974262.db2.gz ATTOFXAUYQYQDL-MJGOQNOKSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000503425134 515027493 /nfs/dbraw/zinc/02/74/93/515027493.db2.gz HKHKACGANMVQPP-RLHVNXBHSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CCN1Cc1ccccc1 ZINC000503425133 515028357 /nfs/dbraw/zinc/02/83/57/515028357.db2.gz HKHKACGANMVQPP-GHOZHQTGSA-N 1 3 370.541 2.966 20 0 FFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCN3CCC[C@@H](C)C3)C2)CC1 ZINC000503470141 515046347 /nfs/dbraw/zinc/04/63/47/515046347.db2.gz MGVOIFFUDZEGCB-WOJBJXKFSA-N 1 3 364.578 2.872 20 0 FFADHO CCN1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000503477953 515046999 /nfs/dbraw/zinc/04/69/99/515046999.db2.gz FLBATLUTZIVPRW-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000458732886 515053559 /nfs/dbraw/zinc/05/35/59/515053559.db2.gz HGWAXSIIASNVKJ-ICSRJNTNSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000458732886 515053565 /nfs/dbraw/zinc/05/35/65/515053565.db2.gz HGWAXSIIASNVKJ-ICSRJNTNSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H](CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000489980140 515055279 /nfs/dbraw/zinc/05/52/79/515055279.db2.gz IADUILPEHGYHAD-ZSYWTGECSA-N 1 3 350.551 2.623 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000480768613 515077102 /nfs/dbraw/zinc/07/71/02/515077102.db2.gz KSTXLULQTBJTTE-MRXNPFEDSA-N 1 3 367.509 2.911 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCN1Cc1ccccc1 ZINC000458782465 515089499 /nfs/dbraw/zinc/08/94/99/515089499.db2.gz ULYFZWWYVZUUHT-UZKOGDIHSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCN1Cc1ccccc1 ZINC000458782465 515089507 /nfs/dbraw/zinc/08/95/07/515089507.db2.gz ULYFZWWYVZUUHT-UZKOGDIHSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccccc1 ZINC000480831415 515098699 /nfs/dbraw/zinc/09/86/99/515098699.db2.gz IOPVOAQOGGLGBL-WIYYLYMNSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccccc1 ZINC000480831415 515098709 /nfs/dbraw/zinc/09/87/09/515098709.db2.gz IOPVOAQOGGLGBL-WIYYLYMNSA-N 1 3 351.494 2.917 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000490165824 515126907 /nfs/dbraw/zinc/12/69/07/515126907.db2.gz QURVKHCBUKDBLL-UNMCSNQZSA-N 1 3 370.541 2.634 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000490165824 515126916 /nfs/dbraw/zinc/12/69/16/515126916.db2.gz QURVKHCBUKDBLL-UNMCSNQZSA-N 1 3 370.541 2.634 20 0 FFADHO CCN1CC[C@@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000509329268 515127229 /nfs/dbraw/zinc/12/72/29/515127229.db2.gz XXAYPZHIOLXVPY-RBBKRZOGSA-N 1 3 358.574 2.861 20 0 FFADHO CCN1CC[C@@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000509329268 515127240 /nfs/dbraw/zinc/12/72/40/515127240.db2.gz XXAYPZHIOLXVPY-RBBKRZOGSA-N 1 3 358.574 2.861 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000467862400 515148998 /nfs/dbraw/zinc/14/89/98/515148998.db2.gz HGIMQEKZQRYILI-DZGCQCFKSA-N 1 3 357.420 2.943 20 0 FFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc(O)c2OC)CC1 ZINC000490337970 515179440 /nfs/dbraw/zinc/17/94/40/515179440.db2.gz BWWVUUOHISXROW-UHFFFAOYSA-N 1 3 350.503 2.971 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc(O)c2OC)CC1 ZINC000490337970 515179449 /nfs/dbraw/zinc/17/94/49/515179449.db2.gz BWWVUUOHISXROW-UHFFFAOYSA-N 1 3 350.503 2.971 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000462680536 515186966 /nfs/dbraw/zinc/18/69/66/515186966.db2.gz JODLVYFSIPPNRI-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CCC[C@](CNC(=O)CC2(N3CCOCC3)CCCC2)([NH+](C)C)C1 ZINC000467993669 515190331 /nfs/dbraw/zinc/19/03/31/515190331.db2.gz LTTVKKQFJGRSNS-RXVVDRJESA-N 1 3 365.562 2.648 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2cccc(F)c2)C1 ZINC000472279947 515200043 /nfs/dbraw/zinc/20/00/43/515200043.db2.gz QVFPPMBQGIWDQA-SFHVURJKSA-N 1 3 351.466 2.587 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000468032163 515203992 /nfs/dbraw/zinc/20/39/92/515203992.db2.gz ZMDKBIUNWJFSMR-FRFSOERESA-N 1 3 369.431 2.736 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000468032163 515203999 /nfs/dbraw/zinc/20/39/99/515203999.db2.gz ZMDKBIUNWJFSMR-FRFSOERESA-N 1 3 369.431 2.736 20 0 FFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000468041894 515205158 /nfs/dbraw/zinc/20/51/58/515205158.db2.gz VOQQAIHJMVMGSR-KZNAEPCWSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H]1[C@H](Cc2ccccc2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000472313334 515220074 /nfs/dbraw/zinc/22/00/74/515220074.db2.gz AKILCWVIEVWGLH-HKUYNNGSSA-N 1 3 355.526 2.683 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000509571636 515239709 /nfs/dbraw/zinc/23/97/09/515239709.db2.gz RIKMVBFXRSQOAF-HVVXOQGOSA-N 1 3 362.518 2.975 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000509571636 515239714 /nfs/dbraw/zinc/23/97/14/515239714.db2.gz RIKMVBFXRSQOAF-HVVXOQGOSA-N 1 3 362.518 2.975 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccco1 ZINC000509576919 515240715 /nfs/dbraw/zinc/24/07/15/515240715.db2.gz IUCWGRGWRBASTB-OKZBNKHCSA-N 1 3 362.518 2.979 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccco1 ZINC000509579440 515242878 /nfs/dbraw/zinc/24/28/78/515242878.db2.gz VBILULFBYLCDTQ-IAGOWNOFSA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccco1 ZINC000509579440 515242886 /nfs/dbraw/zinc/24/28/86/515242886.db2.gz VBILULFBYLCDTQ-IAGOWNOFSA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccco1 ZINC000509592888 515249635 /nfs/dbraw/zinc/24/96/35/515249635.db2.gz BMDNNTGJGIDZJN-KSZLIROESA-N 1 3 362.518 2.979 20 0 FFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000504289834 515262884 /nfs/dbraw/zinc/26/28/84/515262884.db2.gz POEGXGABVOJAIJ-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000504289834 515262891 /nfs/dbraw/zinc/26/28/91/515262891.db2.gz POEGXGABVOJAIJ-PMACEKPBSA-N 1 3 356.514 2.531 20 0 FFADHO COC(=O)[C@]1(C)C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1C ZINC000504588563 515334992 /nfs/dbraw/zinc/33/49/92/515334992.db2.gz DEKAUZXUZUKHGS-VGOFRKELSA-N 1 3 373.541 2.848 20 0 FFADHO COC(=O)[C@]1(C)C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1C ZINC000504588563 515334997 /nfs/dbraw/zinc/33/49/97/515334997.db2.gz DEKAUZXUZUKHGS-VGOFRKELSA-N 1 3 373.541 2.848 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000463014021 515335458 /nfs/dbraw/zinc/33/54/58/515335458.db2.gz QGMQRVYAJNKVGT-CTNGQTDRSA-N 1 3 372.557 2.928 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CN(C4CC4)C[C@@H]3C)CC2)c1 ZINC000491009610 515356576 /nfs/dbraw/zinc/35/65/76/515356576.db2.gz QVUXXOLSRUSDAK-REWPJTCUSA-N 1 3 370.585 2.970 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC000468439084 515358784 /nfs/dbraw/zinc/35/87/84/515358784.db2.gz ODXHSSRSIMXEIJ-QZTJIDSGSA-N 1 3 361.530 2.896 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCN2CCC1CC2 ZINC000499723513 515427777 /nfs/dbraw/zinc/42/77/77/515427777.db2.gz FVGBPJHNBPIAQB-QZTJIDSGSA-N 1 3 370.541 2.633 20 0 FFADHO CC[C@]1(C(C)C)C[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454440459 515490880 /nfs/dbraw/zinc/49/08/80/515490880.db2.gz AYZJGOMHSITHRJ-UYAOXDASSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000454465266 515509548 /nfs/dbraw/zinc/50/95/48/515509548.db2.gz WOHNBFSHNTXCET-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000454465266 515509555 /nfs/dbraw/zinc/50/95/55/515509555.db2.gz WOHNBFSHNTXCET-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000454519232 515547456 /nfs/dbraw/zinc/54/74/56/515547456.db2.gz OATDSJLFXHMJJI-NRFANRHFSA-N 1 3 370.541 2.967 20 0 FFADHO C[N@H+](CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000454520489 515549403 /nfs/dbraw/zinc/54/94/03/515549403.db2.gz PHXIQHDUEGXSQR-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO C[N@@H+](CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000454520489 515549411 /nfs/dbraw/zinc/54/94/11/515549411.db2.gz PHXIQHDUEGXSQR-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000454714232 515687279 /nfs/dbraw/zinc/68/72/79/515687279.db2.gz CTRFLFWGGGQCCB-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000493975795 515703274 /nfs/dbraw/zinc/70/32/74/515703274.db2.gz HCLXMTMIZNIHCN-NJDAHSKKSA-N 1 3 374.525 2.691 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000473964892 515823170 /nfs/dbraw/zinc/82/31/70/515823170.db2.gz QARWOFGRRKYDTM-ZDWTUXFCSA-N 1 3 370.541 2.679 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000473964892 515823175 /nfs/dbraw/zinc/82/31/75/515823175.db2.gz QARWOFGRRKYDTM-ZDWTUXFCSA-N 1 3 370.541 2.679 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000494406665 515833019 /nfs/dbraw/zinc/83/30/19/515833019.db2.gz QMYHFTFUPFZOKN-IBGZPJMESA-N 1 3 353.514 2.520 20 0 FFADHO Cc1nccn1CCN(C)[C@@H]1CCCC[C@H]1[N@H+](C)CCn1ccnc1C ZINC000464477482 515840890 /nfs/dbraw/zinc/84/08/90/515840890.db2.gz APXAIZCIKDHHEZ-WOJBJXKFSA-N 1 3 358.534 2.571 20 0 FFADHO Cc1nccn1CCN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCn1ccnc1C ZINC000464477482 515840898 /nfs/dbraw/zinc/84/08/98/515840898.db2.gz APXAIZCIKDHHEZ-WOJBJXKFSA-N 1 3 358.534 2.571 20 0 FFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487544499 515899849 /nfs/dbraw/zinc/89/98/49/515899849.db2.gz WZIOQZIVHOIEAK-RAUXBKROSA-N 1 3 358.530 2.661 20 0 FFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000487544499 515899861 /nfs/dbraw/zinc/89/98/61/515899861.db2.gz WZIOQZIVHOIEAK-RAUXBKROSA-N 1 3 358.530 2.661 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511484549 515920935 /nfs/dbraw/zinc/92/09/35/515920935.db2.gz ZENXAHDIZKBZBI-AEFFLSMTSA-N 1 3 367.484 2.990 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511484549 515920945 /nfs/dbraw/zinc/92/09/45/515920945.db2.gz ZENXAHDIZKBZBI-AEFFLSMTSA-N 1 3 367.484 2.990 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC000457507268 515926497 /nfs/dbraw/zinc/92/64/97/515926497.db2.gz KCNAYZFFOQGMBM-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511521947 515932250 /nfs/dbraw/zinc/93/22/50/515932250.db2.gz RADYQWDPLUWPBW-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511521947 515932259 /nfs/dbraw/zinc/93/22/59/515932259.db2.gz RADYQWDPLUWPBW-MOPGFXCFSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)N1CCN(CCCN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC000501004478 515934382 /nfs/dbraw/zinc/93/43/82/515934382.db2.gz AKPFKZJMLKBIKF-ACRUOGEOSA-N 1 3 350.595 2.740 20 0 FFADHO C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCN(C2CC2)C1 ZINC000457532385 515947305 /nfs/dbraw/zinc/94/73/05/515947305.db2.gz HWKJVTGGYCYXKG-GOSISDBHSA-N 1 3 370.541 2.908 20 0 FFADHO Cc1ccc(CNC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501063531 515959901 /nfs/dbraw/zinc/95/99/01/515959901.db2.gz PQKMYSCCSUHNHR-UHFFFAOYSA-N 1 3 366.509 2.855 20 0 FFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC000469853782 515999568 /nfs/dbraw/zinc/99/95/68/515999568.db2.gz UQHKMLCSFZTOID-UHFFFAOYSA-N 1 3 360.477 2.958 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000494899439 516002719 /nfs/dbraw/zinc/00/27/19/516002719.db2.gz BAEUQVFOYSDBKO-UIFIKXQLSA-N 1 3 355.526 2.540 20 0 FFADHO [NH3+]CCCOC1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000469862553 516003200 /nfs/dbraw/zinc/00/32/00/516003200.db2.gz OGUURFVDJSALDY-UHFFFAOYSA-N 1 3 355.482 2.990 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCC(=O)NC3(C)C)CC2)c1 ZINC000494912296 516006741 /nfs/dbraw/zinc/00/67/41/516006741.db2.gz UDEHXMSTNAYCKN-FQEVSTJZSA-N 1 3 372.557 2.544 20 0 FFADHO C[NH+](C)CC[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000469906877 516025774 /nfs/dbraw/zinc/02/57/74/516025774.db2.gz LRFBYWRAVQQVQE-HXUWFJFHSA-N 1 3 374.573 2.681 20 0 FFADHO CC[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)N1CCc2ccccc2C1 ZINC000501332491 516065326 /nfs/dbraw/zinc/06/53/26/516065326.db2.gz XPOKIBSMOAILGW-HXUWFJFHSA-N 1 3 372.557 2.997 20 0 FFADHO CC[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)N1CCc2ccccc2C1 ZINC000501332490 516065558 /nfs/dbraw/zinc/06/55/58/516065558.db2.gz XPOKIBSMOAILGW-FQEVSTJZSA-N 1 3 372.557 2.997 20 0 FFADHO CCN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000479201893 516106218 /nfs/dbraw/zinc/10/62/18/516106218.db2.gz NHNNEMPTJUFJSB-RDJZCZTQSA-N 1 3 372.538 2.942 20 0 FFADHO C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CCCC[C@H]1C ZINC000501548532 516149950 /nfs/dbraw/zinc/14/99/50/516149950.db2.gz FHVAOUTZKFEFET-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)Cc1ccccc1 ZINC000465521466 516179345 /nfs/dbraw/zinc/17/93/45/516179345.db2.gz HQEKGHVCBQWUAR-IHPCNDPISA-N 1 3 360.546 2.721 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000465535039 516183668 /nfs/dbraw/zinc/18/36/68/516183668.db2.gz VRNFOAKTSVEKKL-ZWKOTPCHSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000465535039 516183675 /nfs/dbraw/zinc/18/36/75/516183675.db2.gz VRNFOAKTSVEKKL-ZWKOTPCHSA-N 1 3 372.557 2.505 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000470299761 516199343 /nfs/dbraw/zinc/19/93/43/516199343.db2.gz WULOFWFGGUXTNY-HXUWFJFHSA-N 1 3 360.546 2.880 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000465630337 516214532 /nfs/dbraw/zinc/21/45/32/516214532.db2.gz MXIJFOSJJHMFKY-ROUUACIJSA-N 1 3 364.534 2.658 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000465630337 516214540 /nfs/dbraw/zinc/21/45/40/516214540.db2.gz MXIJFOSJJHMFKY-ROUUACIJSA-N 1 3 364.534 2.658 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000488412819 516218454 /nfs/dbraw/zinc/21/84/54/516218454.db2.gz DLMMFNHVKQMITP-QZTJIDSGSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000465733337 516243303 /nfs/dbraw/zinc/24/33/03/516243303.db2.gz WLSRZCXPQZTZTK-IPMKNSEASA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000465733337 516243309 /nfs/dbraw/zinc/24/33/09/516243309.db2.gz WLSRZCXPQZTZTK-IPMKNSEASA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000501862020 516245400 /nfs/dbraw/zinc/24/54/00/516245400.db2.gz KIPPTUWUVPNSFN-AZUAARDMSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000465762781 516252087 /nfs/dbraw/zinc/25/20/87/516252087.db2.gz USTZUFTXOWLDLY-HNBVOPMISA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000465762781 516252092 /nfs/dbraw/zinc/25/20/92/516252092.db2.gz USTZUFTXOWLDLY-HNBVOPMISA-N 1 3 358.530 2.946 20 0 FFADHO COCCOCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000512564268 516304826 /nfs/dbraw/zinc/30/48/26/516304826.db2.gz JZMHRFOQBFTWMK-YOFSQIOKSA-N 1 3 362.514 2.785 20 0 FFADHO COCCOCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000512564268 516304829 /nfs/dbraw/zinc/30/48/29/516304829.db2.gz JZMHRFOQBFTWMK-YOFSQIOKSA-N 1 3 362.514 2.785 20 0 FFADHO C[C@@]1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCC[NH2+]C1 ZINC000497331105 516308634 /nfs/dbraw/zinc/30/86/34/516308634.db2.gz HMQNSMHXYCCQAX-FGZHOGPDSA-N 1 3 355.526 2.891 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)CC1 ZINC000550621268 516355586 /nfs/dbraw/zinc/35/55/86/516355586.db2.gz HNEQXUYFJHCXMM-JOCHJYFZSA-N 1 3 365.521 2.917 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)ccn1 ZINC000535510495 516379881 /nfs/dbraw/zinc/37/98/81/516379881.db2.gz BCNNTLCYIRQOJN-NJYVYQBISA-N 1 3 370.541 2.531 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000523146293 516397735 /nfs/dbraw/zinc/39/77/35/516397735.db2.gz WALUJHFFZNZIDU-ICSRJNTNSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000523146293 516397744 /nfs/dbraw/zinc/39/77/44/516397744.db2.gz WALUJHFFZNZIDU-ICSRJNTNSA-N 1 3 358.530 2.853 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000554389643 516418349 /nfs/dbraw/zinc/41/83/49/516418349.db2.gz SNEHHNAHJCFDMS-MAUKXSAKSA-N 1 3 360.502 2.847 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000557853208 516471113 /nfs/dbraw/zinc/47/11/13/516471113.db2.gz ZCTDHGVNXIXOTM-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000528491628 516476280 /nfs/dbraw/zinc/47/62/80/516476280.db2.gz XRACIJKDIZGIJV-PWRODBHTSA-N 1 3 357.542 2.993 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000528491628 516476288 /nfs/dbraw/zinc/47/62/88/516476288.db2.gz XRACIJKDIZGIJV-PWRODBHTSA-N 1 3 357.542 2.993 20 0 FFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3nccn3C)cc2)C[C@H]1C ZINC000540323952 516511410 /nfs/dbraw/zinc/51/14/10/516511410.db2.gz PGLZTYDKLYTMAE-QZTJIDSGSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@@H]1CC[C@@H](NCc2ccccc2OCC[NH+](C)C)[C@H](n2cncn2)C1 ZINC000551030401 516531842 /nfs/dbraw/zinc/53/18/42/516531842.db2.gz NXPYRIJASKYOEQ-BHIYHBOVSA-N 1 3 357.502 2.738 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000518098313 516550098 /nfs/dbraw/zinc/55/00/98/516550098.db2.gz RUNAMDIZMYOFNJ-QRVBRYPASA-N 1 3 350.551 2.909 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000536015636 516594057 /nfs/dbraw/zinc/59/40/57/516594057.db2.gz ZYFRDKLQAUXWTQ-FQEVSTJZSA-N 1 3 360.546 2.675 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528721534 516645438 /nfs/dbraw/zinc/64/54/38/516645438.db2.gz RBCQEUPNLQNFFH-INIZCTEOSA-N 1 3 360.502 2.658 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528721534 516645448 /nfs/dbraw/zinc/64/54/48/516645448.db2.gz RBCQEUPNLQNFFH-INIZCTEOSA-N 1 3 360.502 2.658 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000518403799 516647747 /nfs/dbraw/zinc/64/77/47/516647747.db2.gz WIDVQVHHHWTFJC-GGPKGHCWSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000531863618 516680707 /nfs/dbraw/zinc/68/07/07/516680707.db2.gz HUHSIHRQBIIZEY-UHFFFAOYSA-N 1 3 360.420 2.953 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000518562185 516707385 /nfs/dbraw/zinc/70/73/85/516707385.db2.gz BIGDDZSGTCIXLK-BFHYXJOUSA-N 1 3 359.283 2.599 20 0 FFADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)C1 ZINC000518562185 516707395 /nfs/dbraw/zinc/70/73/95/516707395.db2.gz BIGDDZSGTCIXLK-BFHYXJOUSA-N 1 3 359.283 2.599 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000558377576 516710699 /nfs/dbraw/zinc/71/06/99/516710699.db2.gz UUYNFYNJHUUKRI-DOTOQJQBSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(F)c1 ZINC000540787194 516712488 /nfs/dbraw/zinc/71/24/88/516712488.db2.gz FXOVNZRSSCLCIZ-JXFKEZNVSA-N 1 3 357.473 2.765 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCc2c1cccc2F ZINC000540789459 516713091 /nfs/dbraw/zinc/71/30/91/516713091.db2.gz RHUMKBNVFBZWJA-RTWAWAEBSA-N 1 3 369.484 2.692 20 0 FFADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000518733202 516754467 /nfs/dbraw/zinc/75/44/67/516754467.db2.gz YKGRSLRSJQSGQH-GVDBMIGSSA-N 1 3 364.559 2.900 20 0 FFADHO CC1CC[NH+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000555133820 516795792 /nfs/dbraw/zinc/79/57/92/516795792.db2.gz XWGGOVHAGHDNLI-SFHVURJKSA-N 1 3 366.937 2.974 20 0 FFADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N1CCN(c2ccccc2)CC1 ZINC000514089051 516856255 /nfs/dbraw/zinc/85/62/55/516856255.db2.gz NQDMFUPAEVEAOB-ZDFPQIBNSA-N 1 3 356.558 2.660 20 0 FFADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)N1CCN(c2ccccc2)CC1 ZINC000514089051 516856267 /nfs/dbraw/zinc/85/62/67/516856267.db2.gz NQDMFUPAEVEAOB-ZDFPQIBNSA-N 1 3 356.558 2.660 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000514161545 516884541 /nfs/dbraw/zinc/88/45/41/516884541.db2.gz BPMLVYYCWDXZJJ-FQEVSTJZSA-N 1 3 358.530 2.915 20 0 FFADHO C[NH+](C)Cc1ccc(CNC[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000558702522 516898001 /nfs/dbraw/zinc/89/80/01/516898001.db2.gz AATNHPRUAVOEQC-SFHVURJKSA-N 1 3 353.466 2.759 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000514202032 516901928 /nfs/dbraw/zinc/90/19/28/516901928.db2.gz QLPZBOBWFGFFDU-QWFCFKBJSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000514202032 516901934 /nfs/dbraw/zinc/90/19/34/516901934.db2.gz QLPZBOBWFGFFDU-QWFCFKBJSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)C[C@H](C)O1 ZINC000536710878 516906212 /nfs/dbraw/zinc/90/62/12/516906212.db2.gz ZIAWWZSGLWLFEU-CALCHBBNSA-N 1 3 371.529 2.680 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000514239744 516919152 /nfs/dbraw/zinc/91/91/52/516919152.db2.gz RDAODUXZWLTAAV-OALUTQOASA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000514239744 516919157 /nfs/dbraw/zinc/91/91/57/516919157.db2.gz RDAODUXZWLTAAV-OALUTQOASA-N 1 3 372.557 2.854 20 0 FFADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000544895894 516980529 /nfs/dbraw/zinc/98/05/29/516980529.db2.gz VHRXOZHBVXOCKZ-OAHLLOKOSA-N 1 3 353.532 2.831 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000525290726 516995185 /nfs/dbraw/zinc/99/51/85/516995185.db2.gz GBFFVGUAFZJGMD-QRFRQXIXSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000525290726 516995195 /nfs/dbraw/zinc/99/51/95/516995195.db2.gz GBFFVGUAFZJGMD-QRFRQXIXSA-N 1 3 374.529 2.614 20 0 FFADHO CCO[C@H]1C[C@](N)(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1(C)C ZINC000514671353 516995696 /nfs/dbraw/zinc/99/56/96/516995696.db2.gz GDBQLYRVKWSFBW-RXVVDRJESA-N 1 3 365.562 2.634 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558908701 516998517 /nfs/dbraw/zinc/99/85/17/516998517.db2.gz UBVJBMWOSQEDQX-XWIAVFTESA-N 1 3 364.921 2.725 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558908701 516998528 /nfs/dbraw/zinc/99/85/28/516998528.db2.gz UBVJBMWOSQEDQX-XWIAVFTESA-N 1 3 364.921 2.725 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532532513 517021103 /nfs/dbraw/zinc/02/11/03/517021103.db2.gz VQCNBZFLSDZMQE-KBPBESRZSA-N 1 3 353.894 2.997 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000532532513 517021111 /nfs/dbraw/zinc/02/11/11/517021111.db2.gz VQCNBZFLSDZMQE-KBPBESRZSA-N 1 3 353.894 2.997 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000562348214 517047317 /nfs/dbraw/zinc/04/73/17/517047317.db2.gz PZENBPHHHYNOPV-UXHICEINSA-N 1 3 360.546 2.848 20 0 FFADHO C[C@@H](CCNC(=O)CCN1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000541524850 517092869 /nfs/dbraw/zinc/09/28/69/517092869.db2.gz NSHZYPKKVJKYCL-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529363289 517103863 /nfs/dbraw/zinc/10/38/63/517103863.db2.gz URYJBSBMHMSRJV-YZGWKJHDSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000532795123 517148960 /nfs/dbraw/zinc/14/89/60/517148960.db2.gz QYKJDSTUUGAGDE-HLAWJBBLSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000532795123 517148966 /nfs/dbraw/zinc/14/89/66/517148966.db2.gz QYKJDSTUUGAGDE-HLAWJBBLSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@H+]1CC=C(CNCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000537345004 517149829 /nfs/dbraw/zinc/14/98/29/517149829.db2.gz VZKXUYOKBDGZTG-UHFFFAOYSA-N 1 3 361.287 2.986 20 0 FFADHO C[N@@H+]1CC=C(CNCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000537345004 517149836 /nfs/dbraw/zinc/14/98/36/517149836.db2.gz VZKXUYOKBDGZTG-UHFFFAOYSA-N 1 3 361.287 2.986 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000514979881 517152740 /nfs/dbraw/zinc/15/27/40/517152740.db2.gz LVGXSRKDQKNKAC-IRXDYDNUSA-N 1 3 366.575 2.988 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000514979881 517152743 /nfs/dbraw/zinc/15/27/43/517152743.db2.gz LVGXSRKDQKNKAC-IRXDYDNUSA-N 1 3 366.575 2.988 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000552445361 517262153 /nfs/dbraw/zinc/26/21/53/517262153.db2.gz MYDXSFLNJINLBD-OAQYLSRUSA-N 1 3 355.526 2.910 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000552445361 517262160 /nfs/dbraw/zinc/26/21/60/517262160.db2.gz MYDXSFLNJINLBD-OAQYLSRUSA-N 1 3 355.526 2.910 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000515223636 517262916 /nfs/dbraw/zinc/26/29/16/517262916.db2.gz WCNUUSLETQWKCZ-UHFFFAOYSA-N 1 3 373.545 2.719 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000537660341 517286018 /nfs/dbraw/zinc/28/60/18/517286018.db2.gz BOLBQVQAZDHGTG-UHFFFAOYSA-N 1 3 371.529 2.805 20 0 FFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000559553341 517313797 /nfs/dbraw/zinc/31/37/97/517313797.db2.gz NFGZTLAUJXXPSE-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000559553341 517313803 /nfs/dbraw/zinc/31/38/03/517313803.db2.gz NFGZTLAUJXXPSE-RBSFLKMASA-N 1 3 363.468 2.838 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000520253862 517321260 /nfs/dbraw/zinc/32/12/60/517321260.db2.gz BLXFXFPUESGMEZ-ZIAGYGMSSA-N 1 3 355.324 2.521 20 0 FFADHO C[N@@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000559743867 517406270 /nfs/dbraw/zinc/40/62/70/517406270.db2.gz TZYIQLNWDZTBIY-PMACEKPBSA-N 1 3 373.522 2.983 20 0 FFADHO C[N@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000559743867 517406277 /nfs/dbraw/zinc/40/62/77/517406277.db2.gz TZYIQLNWDZTBIY-PMACEKPBSA-N 1 3 373.522 2.983 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000562806278 517420588 /nfs/dbraw/zinc/42/05/88/517420588.db2.gz ZDHWSQLTXBQJRF-RBBKRZOGSA-N 1 3 370.541 2.682 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1)CC(C)C ZINC000538075636 517458720 /nfs/dbraw/zinc/45/87/20/517458720.db2.gz VYVCDWFGZGTLIX-IBGZPJMESA-N 1 3 352.567 2.870 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1)CC(C)C ZINC000538075636 517458731 /nfs/dbraw/zinc/45/87/31/517458731.db2.gz VYVCDWFGZGTLIX-IBGZPJMESA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000515828395 517488147 /nfs/dbraw/zinc/48/81/47/517488147.db2.gz MEOLTHVMKHWTAN-NRFANRHFSA-N 1 3 374.573 2.921 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000515828395 517488157 /nfs/dbraw/zinc/48/81/57/517488157.db2.gz MEOLTHVMKHWTAN-NRFANRHFSA-N 1 3 374.573 2.921 20 0 FFADHO C[C@H](CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000542378004 517527895 /nfs/dbraw/zinc/52/78/95/517527895.db2.gz LBSZRIUGWGIKTF-UYAOXDASSA-N 1 3 360.546 2.723 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553127554 517534215 /nfs/dbraw/zinc/53/42/15/517534215.db2.gz JFLLLYMTMVAJCZ-ROUUACIJSA-N 1 3 353.576 2.585 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553127556 517534604 /nfs/dbraw/zinc/53/46/04/517534604.db2.gz JFLLLYMTMVAJCZ-ZWKOTPCHSA-N 1 3 353.576 2.585 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000533819603 517627225 /nfs/dbraw/zinc/62/72/25/517627225.db2.gz OJMPSIPGDXEKSC-LEWJYISDSA-N 1 3 372.557 2.533 20 0 FFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516244176 517631888 /nfs/dbraw/zinc/63/18/88/517631888.db2.gz AUYVRRAKWPBLFG-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO Fc1ccc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249646 517656685 /nfs/dbraw/zinc/65/66/85/517656685.db2.gz XFIJLQMQLJXRRT-IBGZPJMESA-N 1 3 358.461 2.806 20 0 FFADHO C[N@H+](Cc1ccccc1CNC(=O)C(N)C(F)(F)F)C1CCCCC1 ZINC000521231479 517661352 /nfs/dbraw/zinc/66/13/52/517661352.db2.gz OJDHMAWCWIAYDN-INIZCTEOSA-N 1 3 357.420 2.957 20 0 FFADHO C[N@@H+](Cc1ccccc1CNC(=O)C(N)C(F)(F)F)C1CCCCC1 ZINC000521231479 517661363 /nfs/dbraw/zinc/66/13/63/517661363.db2.gz OJDHMAWCWIAYDN-INIZCTEOSA-N 1 3 357.420 2.957 20 0 FFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000553396614 517690343 /nfs/dbraw/zinc/69/03/43/517690343.db2.gz AUCRWGLRAJWYKS-WIYYLYMNSA-N 1 3 370.541 2.703 20 0 FFADHO COC(=O)C(C)(C)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000527510925 517720318 /nfs/dbraw/zinc/72/03/18/517720318.db2.gz XEBXQBCCHLGFHF-IAGOWNOFSA-N 1 3 354.535 2.787 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000538686999 517725486 /nfs/dbraw/zinc/72/54/86/517725486.db2.gz JUAVXEHANXSQEH-UYAOXDASSA-N 1 3 358.530 2.949 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000516554989 517741321 /nfs/dbraw/zinc/74/13/21/517741321.db2.gz IAHSJUUVPWMPSE-NRFANRHFSA-N 1 3 358.530 2.682 20 0 FFADHO COc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OC(F)F ZINC000538732120 517753163 /nfs/dbraw/zinc/75/31/63/517753163.db2.gz MICCDMSHIPEPGP-UHFFFAOYSA-N 1 3 358.429 2.839 20 0 FFADHO c1ccc(CN2C[C@@H](C[NH2+]CC[C@@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000556936724 517758176 /nfs/dbraw/zinc/75/81/76/517758176.db2.gz QDADQJZMEOQCIB-NHCUHLMSSA-N 1 3 358.526 2.931 20 0 FFADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)c1ccccc1 ZINC000521537312 517768126 /nfs/dbraw/zinc/76/81/26/517768126.db2.gz IULGOWDLHKJRDH-NQIIRXRSSA-N 1 3 353.510 2.669 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)CC2)oc1C ZINC000560525931 517871336 /nfs/dbraw/zinc/87/13/36/517871336.db2.gz CDGXICHOYIXSMY-AQNXPRMDSA-N 1 3 360.546 2.966 20 0 FFADHO CC[NH2+]CCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000557134212 517872477 /nfs/dbraw/zinc/87/24/77/517872477.db2.gz NMBQTXASZDEAKI-MRXNPFEDSA-N 1 3 352.548 2.820 20 0 FFADHO C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000539085454 517906477 /nfs/dbraw/zinc/90/64/77/517906477.db2.gz ODAOKVKFWIHBJI-VDZJLULYSA-N 1 3 368.543 2.633 20 0 FFADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530663213 517910256 /nfs/dbraw/zinc/91/02/56/517910256.db2.gz AIKDVUOEUMLOHO-XMSQKQJNSA-N 1 3 367.493 2.630 20 0 FFADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530663213 517910259 /nfs/dbraw/zinc/91/02/59/517910259.db2.gz AIKDVUOEUMLOHO-XMSQKQJNSA-N 1 3 367.493 2.630 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OCCN(C)C)c1 ZINC000563457484 517916347 /nfs/dbraw/zinc/91/63/47/517916347.db2.gz XJUYNPPZIKEVAP-MSOLQXFVSA-N 1 3 374.529 2.789 20 0 FFADHO CCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000516925100 517920853 /nfs/dbraw/zinc/92/08/53/517920853.db2.gz GYIKWALTXADWEC-OAQYLSRUSA-N 1 3 366.509 2.951 20 0 FFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNC[C@H](O)C(F)(F)F)cc2)C[C@H]1C ZINC000521994534 517938258 /nfs/dbraw/zinc/93/82/58/517938258.db2.gz CBNNOIYOXPBSNN-RKVPGOIHSA-N 1 3 374.447 2.709 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534635894 517975249 /nfs/dbraw/zinc/97/52/49/517975249.db2.gz MHDYQXZKWIMQHD-AQNXPRMDSA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534635894 517975258 /nfs/dbraw/zinc/97/52/58/517975258.db2.gz MHDYQXZKWIMQHD-AQNXPRMDSA-N 1 3 358.530 2.996 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000522079207 517977952 /nfs/dbraw/zinc/97/79/52/517977952.db2.gz NRABRKIXVRLDEC-HXUWFJFHSA-N 1 3 358.530 2.907 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553940236 517979855 /nfs/dbraw/zinc/97/98/55/517979855.db2.gz FIDFQHQQRWSSIW-ZWKOTPCHSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553940236 517979863 /nfs/dbraw/zinc/97/98/63/517979863.db2.gz FIDFQHQQRWSSIW-ZWKOTPCHSA-N 1 3 364.534 2.863 20 0 FFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000517028165 517985928 /nfs/dbraw/zinc/98/59/28/517985928.db2.gz OOBXBCNNRPKUKQ-NRFANRHFSA-N 1 3 366.509 2.671 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)cc1CN1CCCCC1 ZINC000527959896 518014790 /nfs/dbraw/zinc/01/47/90/518014790.db2.gz ZRDJNHVLRVIMJD-NBHGPNQESA-N 1 3 362.514 2.872 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000517111431 518029329 /nfs/dbraw/zinc/02/93/29/518029329.db2.gz SEDNIJDYXNATFK-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000517111431 518029339 /nfs/dbraw/zinc/02/93/39/518029339.db2.gz SEDNIJDYXNATFK-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000522406714 518099816 /nfs/dbraw/zinc/09/98/16/518099816.db2.gz TWJLFQDXFIHPOR-QRVBRYPASA-N 1 3 360.546 2.784 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000522602130 518132503 /nfs/dbraw/zinc/13/25/03/518132503.db2.gz VLSPGTMSLBLCOL-APWZRJJASA-N 1 3 356.514 2.748 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000535212829 518166610 /nfs/dbraw/zinc/16/66/10/518166610.db2.gz RRSLIHWGMRHOMH-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000535362877 518176534 /nfs/dbraw/zinc/17/65/34/518176534.db2.gz UHSVJQQWCQHPJA-IHPCNDPISA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000535362877 518176535 /nfs/dbraw/zinc/17/65/35/518176535.db2.gz UHSVJQQWCQHPJA-IHPCNDPISA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000563889858 518215921 /nfs/dbraw/zinc/21/59/21/518215921.db2.gz XTOQVBUXDDVCSB-TZIWHRDSSA-N 1 3 355.526 2.785 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000572557451 518245231 /nfs/dbraw/zinc/24/52/31/518245231.db2.gz XRDMIUVLCBNGPL-OALUTQOASA-N 1 3 362.562 2.825 20 0 FFADHO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000563963207 518250294 /nfs/dbraw/zinc/25/02/94/518250294.db2.gz MAQHDAPMWGLAKE-CEMLEFRQSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000563963207 518250299 /nfs/dbraw/zinc/25/02/99/518250299.db2.gz MAQHDAPMWGLAKE-CEMLEFRQSA-N 1 3 359.558 2.986 20 0 FFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000563963207 518250301 /nfs/dbraw/zinc/25/03/01/518250301.db2.gz MAQHDAPMWGLAKE-CEMLEFRQSA-N 1 3 359.558 2.986 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000563964960 518251062 /nfs/dbraw/zinc/25/10/62/518251062.db2.gz QSXAMQPGIIABLA-NQIIRXRSSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000563964960 518251067 /nfs/dbraw/zinc/25/10/67/518251067.db2.gz QSXAMQPGIIABLA-NQIIRXRSSA-N 1 3 370.541 2.919 20 0 FFADHO Cc1cnccc1CCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000584289475 518266499 /nfs/dbraw/zinc/26/64/99/518266499.db2.gz MSAKMQBSSQUNBI-UHFFFAOYSA-N 1 3 372.557 2.637 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000581427041 518280208 /nfs/dbraw/zinc/28/02/08/518280208.db2.gz ZJVUMOHAQXAZJE-UXHICEINSA-N 1 3 374.573 2.506 20 0 FFADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000569782409 518286858 /nfs/dbraw/zinc/28/68/58/518286858.db2.gz OVYIBMFEGSFHLL-ZVDOUQERSA-N 1 3 364.493 2.713 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000564063065 518291264 /nfs/dbraw/zinc/29/12/64/518291264.db2.gz SQFNZNPKYSXEMC-FPOVZHCZSA-N 1 3 358.530 2.855 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CC4CCC3CC4)CC2)CC1 ZINC000581485344 518310435 /nfs/dbraw/zinc/31/04/35/518310435.db2.gz MIYOVBPPSUNYAL-DAWZGUTISA-N 1 3 362.562 2.671 20 0 FFADHO O=C(CC[NH2+]C[C@H]1CCN(C2CC2)C1)Nc1ccc(Br)cc1 ZINC000564202514 518348994 /nfs/dbraw/zinc/34/89/94/518348994.db2.gz MWGIOXGQCQBVIT-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO O=C(CCNC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000564202514 518348996 /nfs/dbraw/zinc/34/89/96/518348996.db2.gz MWGIOXGQCQBVIT-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO O=C(CCNC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Br)cc1 ZINC000564202514 518349000 /nfs/dbraw/zinc/34/90/00/518349000.db2.gz MWGIOXGQCQBVIT-CYBMUJFWSA-N 1 3 366.303 2.852 20 0 FFADHO CC1(C)CN(C2(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CCCCC2)CCO1 ZINC000578765352 518363496 /nfs/dbraw/zinc/36/34/96/518363496.db2.gz VEPRUYPOOMNPMG-ROUUACIJSA-N 1 3 365.562 2.824 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cc2ccccc2s1 ZINC000564300666 518385957 /nfs/dbraw/zinc/38/59/57/518385957.db2.gz WSAODRCOQSHYDZ-UHFFFAOYSA-N 1 3 362.543 2.579 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000564422149 518444997 /nfs/dbraw/zinc/44/49/97/518444997.db2.gz SATLSXWUXUPZLQ-MAUKXSAKSA-N 1 3 364.559 2.652 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000564422149 518445005 /nfs/dbraw/zinc/44/50/05/518445005.db2.gz SATLSXWUXUPZLQ-MAUKXSAKSA-N 1 3 364.559 2.652 20 0 FFADHO CN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCN(C2CC2)C1 ZINC000581777377 518450602 /nfs/dbraw/zinc/45/06/02/518450602.db2.gz BUBWBTUNRSLCEF-PMACEKPBSA-N 1 3 352.482 2.718 20 0 FFADHO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000570149793 518465214 /nfs/dbraw/zinc/46/52/14/518465214.db2.gz TZIMWJNIUHRJAW-QFBILLFUSA-N 1 3 357.498 2.804 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000567469128 518540551 /nfs/dbraw/zinc/54/05/51/518540551.db2.gz SDHLHYZOTHLIGC-UHFFFAOYSA-N 1 3 369.484 2.718 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn2cc(Cl)ccc2n1 ZINC000576433006 518589757 /nfs/dbraw/zinc/58/97/57/518589757.db2.gz JCKURDQTRGRJJO-SFHVURJKSA-N 1 3 363.937 2.836 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn2cc(Cl)ccc2n1 ZINC000576433006 518589762 /nfs/dbraw/zinc/58/97/62/518589762.db2.gz JCKURDQTRGRJJO-SFHVURJKSA-N 1 3 363.937 2.836 20 0 FFADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCN(CC2CCC2)CC1 ZINC000570418547 518599381 /nfs/dbraw/zinc/59/93/81/518599381.db2.gz FMNNKQKSKWQSGV-LJQANCHMSA-N 1 3 365.587 2.538 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)CC1 ZINC000573346602 518622986 /nfs/dbraw/zinc/62/29/86/518622986.db2.gz SBUZOSWYEDSMCV-BMHOQUIDSA-N 1 3 350.551 2.656 20 0 FFADHO NC[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc2ccccc2c1 ZINC000579333704 518632360 /nfs/dbraw/zinc/63/23/60/518632360.db2.gz WLVRDWVZHUMDRZ-LAUBAEHRSA-N 1 3 366.509 2.967 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)cc1 ZINC000576521093 518633016 /nfs/dbraw/zinc/63/30/16/518633016.db2.gz VHQLHLQHQKUDCT-FQEVSTJZSA-N 1 3 373.541 2.802 20 0 FFADHO CCOc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000579463096 518693540 /nfs/dbraw/zinc/69/35/40/518693540.db2.gz CDGDTJWNMRFFDP-GOSISDBHSA-N 1 3 350.503 2.535 20 0 FFADHO Cc1ccc(-c2noc(CN3CCN(C[C@H]4CC[NH2+][C@H](C)C4)CC3)n2)cc1 ZINC000570615587 518694852 /nfs/dbraw/zinc/69/48/52/518694852.db2.gz FYCYVGMOMNCFEL-MSOLQXFVSA-N 1 3 369.513 2.551 20 0 FFADHO O=C([C@@H]1CNCc2ccccc21)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000570679498 518728319 /nfs/dbraw/zinc/72/83/19/518728319.db2.gz YZBVXJKHSRPSJH-OAQYLSRUSA-N 1 3 355.526 2.988 20 0 FFADHO O=C([C@@H]1CNCc2ccccc21)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000570679498 518728326 /nfs/dbraw/zinc/72/83/26/518728326.db2.gz YZBVXJKHSRPSJH-OAQYLSRUSA-N 1 3 355.526 2.988 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987032 518729795 /nfs/dbraw/zinc/72/97/95/518729795.db2.gz MROFDSMHAGEDFX-MELADBBJSA-N 1 3 371.403 2.844 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000573580338 518736338 /nfs/dbraw/zinc/73/63/38/518736338.db2.gz VAGJWGRNPFUJNS-UZLBHIALSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000573580338 518736343 /nfs/dbraw/zinc/73/63/43/518736343.db2.gz VAGJWGRNPFUJNS-UZLBHIALSA-N 1 3 354.498 2.813 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)[C@@H](N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000579581726 518748456 /nfs/dbraw/zinc/74/84/56/518748456.db2.gz BMAHCTZVWGQBPA-NYVOZVTQSA-N 1 3 365.521 2.973 20 0 FFADHO C[C@H]1C[C@H](CCNC(=O)[C@@H](N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000579581726 518748467 /nfs/dbraw/zinc/74/84/67/518748467.db2.gz BMAHCTZVWGQBPA-NYVOZVTQSA-N 1 3 365.521 2.973 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000565030163 518750350 /nfs/dbraw/zinc/75/03/50/518750350.db2.gz YRHIVJBCXQVGJX-UHFFFAOYSA-N 1 3 365.521 2.885 20 0 FFADHO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000576815346 518776391 /nfs/dbraw/zinc/77/63/91/518776391.db2.gz YBSHXJVBMSGWSU-AQNXPRMDSA-N 1 3 359.514 2.998 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)N(C)CC4)CC2)CC1 ZINC000582496215 518781810 /nfs/dbraw/zinc/78/18/10/518781810.db2.gz FXQOSCSDCVJNBZ-UHFFFAOYSA-N 1 3 370.541 2.814 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](OC)c3ccccc3)CC2)CC1 ZINC000565175520 518826331 /nfs/dbraw/zinc/82/63/31/518826331.db2.gz ZWSNSYCLKIGDGH-OAQYLSRUSA-N 1 3 373.541 2.687 20 0 FFADHO O=C(CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Nc1cccnc1 ZINC000570955864 518858845 /nfs/dbraw/zinc/85/88/45/518858845.db2.gz JMMINANPELYQLX-LJQANCHMSA-N 1 3 352.482 2.564 20 0 FFADHO O=C(CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccnc1 ZINC000570955864 518858854 /nfs/dbraw/zinc/85/88/54/518858854.db2.gz JMMINANPELYQLX-LJQANCHMSA-N 1 3 352.482 2.564 20 0 FFADHO O=C(CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccnc1 ZINC000570955864 518858862 /nfs/dbraw/zinc/85/88/62/518858862.db2.gz JMMINANPELYQLX-LJQANCHMSA-N 1 3 352.482 2.564 20 0 FFADHO CN1CCN([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000571073296 518913712 /nfs/dbraw/zinc/91/37/12/518913712.db2.gz PRUVEACMCQFRMX-INDMIFKZSA-N 1 3 362.587 2.547 20 0 FFADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2CN)cc1 ZINC000579949509 518935457 /nfs/dbraw/zinc/93/54/57/518935457.db2.gz RMPOEBJXABXTCT-FQEVSTJZSA-N 1 3 352.482 2.516 20 0 FFADHO CCO[C@@H](C)c1nc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000582849494 518951587 /nfs/dbraw/zinc/95/15/87/518951587.db2.gz VYEFOHKFLPTPME-DLBZAZTESA-N 1 3 366.575 2.748 20 0 FFADHO [NH3+]C[C@H](C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccc(F)cc1 ZINC000571163231 518958370 /nfs/dbraw/zinc/95/83/70/518958370.db2.gz WGKOTFQAVMCJNQ-SESVDKBCSA-N 1 3 367.468 2.601 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1 ZINC000577204735 518964719 /nfs/dbraw/zinc/96/47/19/518964719.db2.gz CYKRZIOOPDTARV-WBVHZDCISA-N 1 3 356.470 2.552 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)C1 ZINC000577204735 518964728 /nfs/dbraw/zinc/96/47/28/518964728.db2.gz CYKRZIOOPDTARV-WBVHZDCISA-N 1 3 356.470 2.552 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000582894112 518973666 /nfs/dbraw/zinc/97/36/66/518973666.db2.gz COPCTMLWOCPMDU-QWFCFKBJSA-N 1 3 358.530 2.838 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000582952325 519004239 /nfs/dbraw/zinc/00/42/39/519004239.db2.gz SGVHLJYWRULIOC-RTWAWAEBSA-N 1 3 354.498 2.899 20 0 FFADHO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000583019439 519038170 /nfs/dbraw/zinc/03/81/70/519038170.db2.gz CADBCRRLXLYWOF-CABCVRRESA-N 1 3 360.420 2.767 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)Cc2ccc3ccccc3c2)CCCO1 ZINC000580183829 519048258 /nfs/dbraw/zinc/04/82/58/519048258.db2.gz WSZKXRUFGPTCKZ-XMSQKQJNSA-N 1 3 356.510 2.834 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)Cc2ccc3ccccc3c2)CCCO1 ZINC000580183829 519048266 /nfs/dbraw/zinc/04/82/66/519048266.db2.gz WSZKXRUFGPTCKZ-XMSQKQJNSA-N 1 3 356.510 2.834 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000565652423 519064420 /nfs/dbraw/zinc/06/44/20/519064420.db2.gz NJHOCGYKCZEXSS-HOCLYGCPSA-N 1 3 360.420 2.767 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000565743374 519108871 /nfs/dbraw/zinc/10/88/71/519108871.db2.gz IOCKVLFJJHFYMK-RTBURBONSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000565743374 519108878 /nfs/dbraw/zinc/10/88/78/519108878.db2.gz IOCKVLFJJHFYMK-RTBURBONSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1C ZINC000565743374 519108882 /nfs/dbraw/zinc/10/88/82/519108882.db2.gz IOCKVLFJJHFYMK-RTBURBONSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1C ZINC000565743374 519108886 /nfs/dbraw/zinc/10/88/86/519108886.db2.gz IOCKVLFJJHFYMK-RTBURBONSA-N 1 3 360.498 2.771 20 0 FFADHO COc1ccc(Cl)cc1C[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000568630081 519138882 /nfs/dbraw/zinc/13/88/82/519138882.db2.gz AIOLZENIJJRYRH-MRXNPFEDSA-N 1 3 351.922 2.508 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000590159088 519163809 /nfs/dbraw/zinc/16/38/09/519163809.db2.gz KSFWJICZHPFYSY-UHFFFAOYSA-N 1 3 372.557 2.949 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000590159088 519163812 /nfs/dbraw/zinc/16/38/12/519163812.db2.gz KSFWJICZHPFYSY-UHFFFAOYSA-N 1 3 372.557 2.949 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000577616445 519170280 /nfs/dbraw/zinc/17/02/80/519170280.db2.gz VZSJGERUKAXULV-NRFANRHFSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574493360 519179947 /nfs/dbraw/zinc/17/99/47/519179947.db2.gz FYBKDHVCNHMHLA-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000574493360 519179957 /nfs/dbraw/zinc/17/99/57/519179957.db2.gz FYBKDHVCNHMHLA-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583311335 519182993 /nfs/dbraw/zinc/18/29/93/519182993.db2.gz PCHPCLYXWWFLQW-LEWJYISDSA-N 1 3 370.541 2.860 20 0 FFADHO CC[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc2C1 ZINC000583379628 519217956 /nfs/dbraw/zinc/21/79/56/519217956.db2.gz HWEBFKVXPYWQSA-UNMCSNQZSA-N 1 3 363.505 2.827 20 0 FFADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Cc1ccc2ccccc2c1 ZINC000577722077 519222994 /nfs/dbraw/zinc/22/29/94/519222994.db2.gz FXWXTMKJJBTGIO-VABKMULXSA-N 1 3 368.521 2.711 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](c3nccn3C)C2)CC1 ZINC000574605922 519237651 /nfs/dbraw/zinc/23/76/51/519237651.db2.gz BXIDOIAYWYBCKM-FQEVSTJZSA-N 1 3 367.541 2.942 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](c3nccn3C)C2)CC1 ZINC000574605922 519237656 /nfs/dbraw/zinc/23/76/56/519237656.db2.gz BXIDOIAYWYBCKM-FQEVSTJZSA-N 1 3 367.541 2.942 20 0 FFADHO COCCN(CCOc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580560202 519241285 /nfs/dbraw/zinc/24/12/85/519241285.db2.gz UCNVTMIHZWBGSC-UHFFFAOYSA-N 1 3 358.457 2.999 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000568853967 519250121 /nfs/dbraw/zinc/25/01/21/519250121.db2.gz LUKKYHOKSCVDCD-AWEZNQCLSA-N 1 3 366.893 2.687 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1 ZINC000574637091 519256080 /nfs/dbraw/zinc/25/60/80/519256080.db2.gz AWKRUAWPNLIZGH-ZDUSSCGKSA-N 1 3 358.313 2.713 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c2ccccc2)CC1 ZINC000568965999 519307621 /nfs/dbraw/zinc/30/76/21/519307621.db2.gz WWLUNURKTLMIFF-YZGWKJHDSA-N 1 3 358.530 2.899 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000566190784 519361376 /nfs/dbraw/zinc/36/13/76/519361376.db2.gz JCHOBIQEQPAOCI-SJORKVTESA-N 1 3 371.447 2.984 20 0 FFADHO O=C(CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)NCc1ccccc1 ZINC000574868551 519375133 /nfs/dbraw/zinc/37/51/33/519375133.db2.gz AEKXYORYZUDQGQ-DENIHFKCSA-N 1 3 365.477 2.538 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)N(C)C)cc1 ZINC000574872651 519377899 /nfs/dbraw/zinc/37/78/99/519377899.db2.gz WARLKKAKJHWIJB-JTHBVZDNSA-N 1 3 365.521 2.899 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC(C[NH3+])CC2)[C@H]1c1cccs1 ZINC000583682971 519379556 /nfs/dbraw/zinc/37/95/56/519379556.db2.gz YSBZQYOJYGFEAS-WBVHZDCISA-N 1 3 350.532 2.511 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000572037876 519410858 /nfs/dbraw/zinc/41/08/58/519410858.db2.gz ABDKOMFDMCWELQ-VABKMULXSA-N 1 3 368.521 2.641 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000572037876 519410865 /nfs/dbraw/zinc/41/08/65/519410865.db2.gz ABDKOMFDMCWELQ-VABKMULXSA-N 1 3 368.521 2.641 20 0 FFADHO C[C@H](NC1(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000578129948 519433526 /nfs/dbraw/zinc/43/35/26/519433526.db2.gz JRMUXLIEHVPVEN-YSIASYRMSA-N 1 3 373.541 2.910 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000583891293 519487695 /nfs/dbraw/zinc/48/76/95/519487695.db2.gz BEFLMJLYPZGNLF-RBBKRZOGSA-N 1 3 358.574 2.657 20 0 FFADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)C1(C)C ZINC000581070560 519509134 /nfs/dbraw/zinc/50/91/34/519509134.db2.gz WQUAFCMFWJXVFI-GPMSIDNRSA-N 1 3 367.921 2.591 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H](C[NH3+])[C@H](C)C[C@H]3C)cc2)CC1 ZINC000581073242 519510149 /nfs/dbraw/zinc/51/01/49/519510149.db2.gz CDZUBHYTBHOXPY-QWFCFKBJSA-N 1 3 372.557 2.662 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000575121673 519511751 /nfs/dbraw/zinc/51/17/51/519511751.db2.gz UMKSTGBOTDGDBC-IBGZPJMESA-N 1 3 362.562 2.912 20 0 FFADHO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000578321702 519533866 /nfs/dbraw/zinc/53/38/66/519533866.db2.gz VRSXZOXKKFIIKG-LJQANCHMSA-N 1 3 358.530 2.722 20 0 FFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000569456692 519560024 /nfs/dbraw/zinc/56/00/24/519560024.db2.gz UIYMAKJZHBSZAE-DLBZAZTESA-N 1 3 364.559 2.820 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)ncn1 ZINC000581185220 519565273 /nfs/dbraw/zinc/56/52/73/519565273.db2.gz INBAYKFEJGLLKI-LWYYNNOASA-N 1 3 357.546 2.908 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000581265467 519606648 /nfs/dbraw/zinc/60/66/48/519606648.db2.gz FDUMQEINIOXCJL-BVSLBCMMSA-N 1 3 359.558 2.940 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000581265467 519606655 /nfs/dbraw/zinc/60/66/55/519606655.db2.gz FDUMQEINIOXCJL-BVSLBCMMSA-N 1 3 359.558 2.940 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCN1C ZINC000591443120 519626794 /nfs/dbraw/zinc/62/67/94/519626794.db2.gz HFLXIABTELDWMG-MSOLQXFVSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCN1C ZINC000591443120 519626799 /nfs/dbraw/zinc/62/67/99/519626799.db2.gz HFLXIABTELDWMG-MSOLQXFVSA-N 1 3 359.514 2.764 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@]3(C)c3ccccc3)CC2)CC1 ZINC000608423687 519971423 /nfs/dbraw/zinc/97/14/23/519971423.db2.gz OOGPIXDZHQYRQX-UNMCSNQZSA-N 1 3 370.541 2.574 20 0 FFADHO C[C@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)C1CC1 ZINC000591616496 519973115 /nfs/dbraw/zinc/97/31/15/519973115.db2.gz PIFGRKYYTFZWFL-QGZVFWFLSA-N 1 3 350.551 2.767 20 0 FFADHO COCCC[NH+]1CCC(N[C@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594493241 520002741 /nfs/dbraw/zinc/00/27/41/520002741.db2.gz IIGVKQFHPQIKPO-FQEVSTJZSA-N 1 3 360.498 2.941 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000594502178 520006436 /nfs/dbraw/zinc/00/64/36/520006436.db2.gz YZJPWSFAUITBEG-JXFKEZNVSA-N 1 3 360.498 2.941 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000594502178 520006442 /nfs/dbraw/zinc/00/64/42/520006442.db2.gz YZJPWSFAUITBEG-JXFKEZNVSA-N 1 3 360.498 2.941 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612969816 520247056 /nfs/dbraw/zinc/24/70/56/520247056.db2.gz GZQXZEKKOWQDMC-MOPGFXCFSA-N 1 3 356.514 2.655 20 0 FFADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000595013001 520256589 /nfs/dbraw/zinc/25/65/89/520256589.db2.gz IFGPDVOCLOUOTM-INIZCTEOSA-N 1 3 353.551 2.503 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000604168211 520467187 /nfs/dbraw/zinc/46/71/87/520467187.db2.gz CPAZHMWWXAFCOL-HXUWFJFHSA-N 1 3 370.541 2.954 20 0 FFADHO CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502384 520539390 /nfs/dbraw/zinc/53/93/90/520539390.db2.gz NNVQICBMSYLECG-ZDUSSCGKSA-N 1 3 374.451 2.749 20 0 FFADHO CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502384 520539392 /nfs/dbraw/zinc/53/93/92/520539392.db2.gz NNVQICBMSYLECG-ZDUSSCGKSA-N 1 3 374.451 2.749 20 0 FFADHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Br)c1 ZINC000617506529 520540580 /nfs/dbraw/zinc/54/05/80/520540580.db2.gz RCMRTBZAFQKUKG-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Br)c1 ZINC000617506529 520540589 /nfs/dbraw/zinc/54/05/89/520540589.db2.gz RCMRTBZAFQKUKG-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000617507462 520545809 /nfs/dbraw/zinc/54/58/09/520545809.db2.gz XMRWUVUUYOUUGZ-AEGPPILISA-N 1 3 371.447 2.596 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000617507462 520545812 /nfs/dbraw/zinc/54/58/12/520545812.db2.gz XMRWUVUUYOUUGZ-AEGPPILISA-N 1 3 371.447 2.596 20 0 FFADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3cccc(CN4CCCCC4)c3)c21 ZINC000592957259 520658619 /nfs/dbraw/zinc/65/86/19/520658619.db2.gz NNBSMAZLBTXCNE-QGZVFWFLSA-N 1 3 367.497 2.957 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)N1CCc2ccccc2C1 ZINC000601244066 520704464 /nfs/dbraw/zinc/70/44/64/520704464.db2.gz GKCORHRWOCRNMR-LEWJYISDSA-N 1 3 372.557 2.995 20 0 FFADHO COC(=O)CC1CCC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000599026368 520988227 /nfs/dbraw/zinc/98/82/27/520988227.db2.gz WFGRHOAFODFKKY-UHFFFAOYSA-N 1 3 373.541 2.646 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000606618342 521107167 /nfs/dbraw/zinc/10/71/67/521107167.db2.gz UKUVTEINTBTHGY-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606683407 521132736 /nfs/dbraw/zinc/13/27/36/521132736.db2.gz XHEIICFDTMYGLX-QRVBRYPASA-N 1 3 350.551 2.909 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000618659391 521171801 /nfs/dbraw/zinc/17/18/01/521171801.db2.gz HVHBRNHDKPYKQE-WOJBJXKFSA-N 1 3 370.541 2.817 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000618659391 521171812 /nfs/dbraw/zinc/17/18/12/521171812.db2.gz HVHBRNHDKPYKQE-WOJBJXKFSA-N 1 3 370.541 2.817 20 0 FFADHO CC(C)C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccs1 ZINC000607235315 521302393 /nfs/dbraw/zinc/30/23/93/521302393.db2.gz VJIKJECAPFBXNZ-MRXNPFEDSA-N 1 3 354.564 2.970 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1 ZINC000615260444 521337345 /nfs/dbraw/zinc/33/73/45/521337345.db2.gz AGUGRZLBCKLXTO-LEWJYISDSA-N 1 3 373.541 2.854 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1 ZINC000615260444 521337346 /nfs/dbraw/zinc/33/73/46/521337346.db2.gz AGUGRZLBCKLXTO-LEWJYISDSA-N 1 3 373.541 2.854 20 0 FFADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000615300622 521358997 /nfs/dbraw/zinc/35/89/97/521358997.db2.gz FSQMSOJUYHXZJE-KBAYOESNSA-N 1 3 365.468 2.695 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)n1 ZINC000602666087 521468643 /nfs/dbraw/zinc/46/86/43/521468643.db2.gz JRAWPATXDBQULA-DOTOQJQBSA-N 1 3 356.470 2.621 20 0 FFADHO CCOC(=O)c1ccn(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)n1 ZINC000602666087 521468647 /nfs/dbraw/zinc/46/86/47/521468647.db2.gz JRAWPATXDBQULA-DOTOQJQBSA-N 1 3 356.470 2.621 20 0 FFADHO Cc1cc(C)c(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c(C)n1 ZINC000631830377 521753127 /nfs/dbraw/zinc/75/31/27/521753127.db2.gz QKUKDZVRQRMJOZ-GOSISDBHSA-N 1 3 368.529 2.519 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000625881332 521755638 /nfs/dbraw/zinc/75/56/38/521755638.db2.gz NOXUCKRYOBRCFO-GJZGRUSLSA-N 1 3 372.435 2.782 20 0 FFADHO CN(CCCN(C)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)Cc1ccco1 ZINC000625941030 521797272 /nfs/dbraw/zinc/79/72/72/521797272.db2.gz RVKHGTCDCZJSHL-UHFFFAOYSA-N 1 3 372.469 2.747 20 0 FFADHO C[C@H]1CCN(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625960018 521807501 /nfs/dbraw/zinc/80/75/01/521807501.db2.gz KBQYOOVOPJOYPS-DZFGPLHGSA-N 1 3 355.526 2.603 20 0 FFADHO C[C@H]1CCN(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625960018 521807503 /nfs/dbraw/zinc/80/75/03/521807503.db2.gz KBQYOOVOPJOYPS-DZFGPLHGSA-N 1 3 355.526 2.603 20 0 FFADHO Cc1ccccc1NC(=O)C[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011409 521868119 /nfs/dbraw/zinc/86/81/19/521868119.db2.gz ZSYLZGVUAOELLN-MRXNPFEDSA-N 1 3 353.470 2.629 20 0 FFADHO Cc1ccccc1NC(=O)C[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011408 521868417 /nfs/dbraw/zinc/86/84/17/521868417.db2.gz ZSYLZGVUAOELLN-INIZCTEOSA-N 1 3 353.470 2.629 20 0 FFADHO CN1CCN(CCC[NH2+][C@H]2CCN(C)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000623355305 521960617 /nfs/dbraw/zinc/96/06/17/521960617.db2.gz IZUPMDRPSILBJY-LEWJYISDSA-N 1 3 358.574 2.828 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)cc(OC)c1 ZINC000623444806 522027648 /nfs/dbraw/zinc/02/76/48/522027648.db2.gz SSSLPEJVXWWUGN-QZTJIDSGSA-N 1 3 361.530 2.741 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)cc(OC)c1 ZINC000623444806 522027656 /nfs/dbraw/zinc/02/76/56/522027656.db2.gz SSSLPEJVXWWUGN-QZTJIDSGSA-N 1 3 361.530 2.741 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000623547625 522108708 /nfs/dbraw/zinc/10/87/08/522108708.db2.gz VZILXARAUPOFBC-BHIFYINESA-N 1 3 365.521 2.621 20 0 FFADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000623547625 522108715 /nfs/dbraw/zinc/10/87/15/522108715.db2.gz VZILXARAUPOFBC-BHIFYINESA-N 1 3 365.521 2.621 20 0 FFADHO CN1CC=C(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000626367997 522138965 /nfs/dbraw/zinc/13/89/65/522138965.db2.gz WTFMOKAFLNBVGH-LEWJYISDSA-N 1 3 353.510 2.523 20 0 FFADHO CN1CC=C(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000626367997 522138973 /nfs/dbraw/zinc/13/89/73/522138973.db2.gz WTFMOKAFLNBVGH-LEWJYISDSA-N 1 3 353.510 2.523 20 0 FFADHO Cn1c(SCCN2CCCCC2)nnc1SCC[NH+]1CCCCC1 ZINC000620412935 522227724 /nfs/dbraw/zinc/22/77/24/522227724.db2.gz KIRDKPIYGVJBNZ-UHFFFAOYSA-N 1 3 369.604 2.971 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000620550040 522289390 /nfs/dbraw/zinc/28/93/90/522289390.db2.gz DUUIWZQYYVSSAK-SFHVURJKSA-N 1 3 360.546 2.989 20 0 FFADHO c1ccc2c(c1)CO[C@H](CN[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000629512673 522291694 /nfs/dbraw/zinc/29/16/94/522291694.db2.gz HXTRWAMFBDZQTB-RCZSKKKRSA-N 1 3 350.462 2.973 20 0 FFADHO CC1CC[NH+](CCC[C@@H](NC[C@@H]2COCCN2)c2ccc(F)cc2)CC1 ZINC000629537249 522302062 /nfs/dbraw/zinc/30/20/62/522302062.db2.gz NAPBCURBIZKBHX-NHCUHLMSSA-N 1 3 363.521 2.957 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843768 522323457 /nfs/dbraw/zinc/32/34/57/522323457.db2.gz WHDMKRYOTANOPG-IEBWSBKVSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843768 522323467 /nfs/dbraw/zinc/32/34/67/522323467.db2.gz WHDMKRYOTANOPG-IEBWSBKVSA-N 1 3 370.541 2.681 20 0 FFADHO C[NH2+]CCOCCN(C)Cc1cc(Br)cc2cccnc21 ZINC000629570179 522324266 /nfs/dbraw/zinc/32/42/66/522324266.db2.gz IYRDDNBOCVOXDS-UHFFFAOYSA-N 1 3 352.276 2.665 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623890167 522349595 /nfs/dbraw/zinc/34/95/95/522349595.db2.gz DTDZGLIDBZMBSQ-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623890167 522349602 /nfs/dbraw/zinc/34/96/02/522349602.db2.gz DTDZGLIDBZMBSQ-HOJAQTOUSA-N 1 3 358.530 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000623906575 522359518 /nfs/dbraw/zinc/35/95/18/522359518.db2.gz ZXRPXFUQFSIIFP-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000623906575 522359530 /nfs/dbraw/zinc/35/95/30/522359530.db2.gz ZXRPXFUQFSIIFP-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO C[N@@H+]1CC[C@@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1(C)C ZINC000623952327 522385816 /nfs/dbraw/zinc/38/58/16/522385816.db2.gz MQTRCFCOZPGYKW-QGZVFWFLSA-N 1 3 371.529 2.722 20 0 FFADHO C[N@H+]1CC[C@@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1(C)C ZINC000623952327 522385825 /nfs/dbraw/zinc/38/58/25/522385825.db2.gz MQTRCFCOZPGYKW-QGZVFWFLSA-N 1 3 371.529 2.722 20 0 FFADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000632952091 522422952 /nfs/dbraw/zinc/42/29/52/522422952.db2.gz DTVJIYAAXFUJKZ-JSGCOSHPSA-N 1 3 366.893 2.766 20 0 FFADHO COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624123971 522490726 /nfs/dbraw/zinc/49/07/26/522490726.db2.gz VDNUMMIEOSVLSP-PXNSSMCTSA-N 1 3 357.502 2.740 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c2cccs2)CC1 ZINC000626921998 522531072 /nfs/dbraw/zinc/53/10/72/522531072.db2.gz MDWQFTKMPHKLEF-BRWVUGGUSA-N 1 3 364.559 2.961 20 0 FFADHO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)CCO1 ZINC000620965339 522548237 /nfs/dbraw/zinc/54/82/37/522548237.db2.gz MAMYSCBCLXTANN-NRFANRHFSA-N 1 3 373.541 2.855 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000626977854 522568735 /nfs/dbraw/zinc/56/87/35/522568735.db2.gz FFPPOZUDCMZUTB-ORYQWCPZSA-N 1 3 358.530 2.757 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000624386133 522652719 /nfs/dbraw/zinc/65/27/19/522652719.db2.gz ACKRUEAJCNSHPQ-KRWDZBQOSA-N 1 3 368.529 2.681 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000624386133 522652726 /nfs/dbraw/zinc/65/27/26/522652726.db2.gz ACKRUEAJCNSHPQ-KRWDZBQOSA-N 1 3 368.529 2.681 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624617056 522823942 /nfs/dbraw/zinc/82/39/42/522823942.db2.gz VHCKDDRRCUZCMT-HXUWFJFHSA-N 1 3 372.557 2.944 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624617056 522823953 /nfs/dbraw/zinc/82/39/53/522823953.db2.gz VHCKDDRRCUZCMT-HXUWFJFHSA-N 1 3 372.557 2.944 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000630577883 522945100 /nfs/dbraw/zinc/94/51/00/522945100.db2.gz BEPYAGKGMKUKLR-ZFWWWQNUSA-N 1 3 358.408 2.739 20 0 FFADHO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000621644161 522993467 /nfs/dbraw/zinc/99/34/67/522993467.db2.gz QZSUXRYCZDEXFE-QGZVFWFLSA-N 1 3 359.514 2.609 20 0 FFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCCC1 ZINC000621648492 522995244 /nfs/dbraw/zinc/99/52/44/522995244.db2.gz WPCMJZPOOYGGIH-KRWDZBQOSA-N 1 3 353.576 2.634 20 0 FFADHO O=C(CC[C@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCCC1 ZINC000621648493 522995462 /nfs/dbraw/zinc/99/54/62/522995462.db2.gz WPCMJZPOOYGGIH-QGZVFWFLSA-N 1 3 353.576 2.634 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000636468794 523000128 /nfs/dbraw/zinc/00/01/28/523000128.db2.gz SEROHOMNEHZLFX-INIZCTEOSA-N 1 3 372.435 2.702 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[N@@H+]1C ZINC000630730662 523087623 /nfs/dbraw/zinc/08/76/23/523087623.db2.gz UIKZMDGIOKGAIH-IPMKNSEASA-N 1 3 371.525 2.821 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[N@H+]1C ZINC000630730662 523087631 /nfs/dbraw/zinc/08/76/31/523087631.db2.gz UIKZMDGIOKGAIH-IPMKNSEASA-N 1 3 371.525 2.821 20 0 FFADHO CC(=O)Nc1cccc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)c1 ZINC000631066050 523348253 /nfs/dbraw/zinc/34/82/53/523348253.db2.gz RUQRMMFBUZTRNM-UHFFFAOYSA-N 1 3 355.482 2.918 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625383202 523394412 /nfs/dbraw/zinc/39/44/12/523394412.db2.gz KBHTUTLWUILWDQ-SESVDKBCSA-N 1 3 355.526 2.603 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625383202 523394424 /nfs/dbraw/zinc/39/44/24/523394424.db2.gz KBHTUTLWUILWDQ-SESVDKBCSA-N 1 3 355.526 2.603 20 0 FFADHO NC[C@]1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCCOC1 ZINC000634554389 523497980 /nfs/dbraw/zinc/49/79/80/523497980.db2.gz YEYGBCILJQFEQO-HXUWFJFHSA-N 1 3 356.470 2.729 20 0 FFADHO C[NH+]1CCC(n2cc(NC(=O)NC[C@@H]3CCN3C3CCCCC3)cn2)CC1 ZINC000637369258 523587763 /nfs/dbraw/zinc/58/77/63/523587763.db2.gz XLZBZFMPXFHJFC-IBGZPJMESA-N 1 3 374.533 2.678 20 0 FFADHO COc1ccc2c(c1)CC[C@H]2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000631576847 523701584 /nfs/dbraw/zinc/70/15/84/523701584.db2.gz ZOTDBOSMARWFAV-OAQYLSRUSA-N 1 3 367.493 2.764 20 0 FFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000631603140 523711849 /nfs/dbraw/zinc/71/18/49/523711849.db2.gz UVGROPYJSUWKDR-GBESFXJTSA-N 1 3 360.498 2.876 20 0 FFADHO C[C@H]1CC[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C[NH2+]1 ZINC000625854759 523720606 /nfs/dbraw/zinc/72/06/06/523720606.db2.gz FUTQHUAMTDLMMB-YJBOKZPZSA-N 1 3 362.543 2.540 20 0 FFADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000625869463 523728138 /nfs/dbraw/zinc/72/81/38/523728138.db2.gz PWIPIZKPJYKIAF-RBUKOAKNSA-N 1 3 360.502 2.813 20 0 FFADHO c1cc2c(cc[nH+]c2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164982189 722102227 /nfs/dbraw/zinc/10/22/27/722102227.db2.gz MZMPTWFCROCIPR-PXNSSMCTSA-N 1 3 363.465 2.685 20 0 FFADHO C[NH+](C)CCCNC(=S)Nc1ccc(CCN2CCSCC2)cc1 ZINC000057817479 728110011 /nfs/dbraw/zinc/11/00/11/728110011.db2.gz IUJQNSIVCHFYNQ-UHFFFAOYSA-N 1 3 366.600 2.516 20 0 FFADHO C[NH+](C)C1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063149313 728134354 /nfs/dbraw/zinc/13/43/54/728134354.db2.gz IWGVRXVIYQNTDV-UHFFFAOYSA-N 1 3 360.571 2.552 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000125933166 728689884 /nfs/dbraw/zinc/68/98/84/728689884.db2.gz DADSUAQDOBUKKP-WMLDXEAASA-N 1 3 355.548 2.612 20 0 FFADHO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000125933412 728689921 /nfs/dbraw/zinc/68/99/21/728689921.db2.gz DADSUAQDOBUKKP-RHSMWYFYSA-N 1 3 355.548 2.612 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000509574850 729928841 /nfs/dbraw/zinc/92/88/41/729928841.db2.gz KMNSEPBABJSRGA-KGLIPLIRSA-N 1 3 361.452 2.640 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000638447681 730027453 /nfs/dbraw/zinc/02/74/53/730027453.db2.gz MQGNZWYELPMLNZ-QGZVFWFLSA-N 1 3 365.587 2.785 20 0 FFADHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000638663368 730038356 /nfs/dbraw/zinc/03/83/56/730038356.db2.gz GFUWEEFRWDRRGS-RYUDHWBXSA-N 1 3 354.228 2.695 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]CC2CCSCC2)cc1 ZINC000638871991 730049767 /nfs/dbraw/zinc/04/97/67/730049767.db2.gz PFWAWQDKEWKVSH-UHFFFAOYSA-N 1 3 361.555 2.745 20 0 FFADHO CN1CCC[N@H+](CCCNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000644885116 730510451 /nfs/dbraw/zinc/51/04/51/730510451.db2.gz NQUSXDJPGRNEIM-UHFFFAOYSA-N 1 3 360.527 2.943 20 0 FFADHO CN1CCC[N@@H+](CCCNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000644885116 730510454 /nfs/dbraw/zinc/51/04/54/730510454.db2.gz NQUSXDJPGRNEIM-UHFFFAOYSA-N 1 3 360.527 2.943 20 0 FFADHO CSc1ccc(/C=C/C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000862167422 730673407 /nfs/dbraw/zinc/67/34/07/730673407.db2.gz VPCHZIJUKZAYDP-KGXGESDWSA-N 1 3 355.573 2.871 20 0 FFADHO CSc1ccc(/C=C/C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000862167422 730673408 /nfs/dbraw/zinc/67/34/08/730673408.db2.gz VPCHZIJUKZAYDP-KGXGESDWSA-N 1 3 355.573 2.871 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862272775 730684482 /nfs/dbraw/zinc/68/44/82/730684482.db2.gz QASWGIKWVBZQFY-HZPDHXFCSA-N 1 3 355.523 2.680 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862272775 730684483 /nfs/dbraw/zinc/68/44/83/730684483.db2.gz QASWGIKWVBZQFY-HZPDHXFCSA-N 1 3 355.523 2.680 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862481853 730704079 /nfs/dbraw/zinc/70/40/79/730704079.db2.gz ADWRUNPDIASIGJ-HZPDHXFCSA-N 1 3 355.523 2.680 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862481853 730704082 /nfs/dbraw/zinc/70/40/82/730704082.db2.gz ADWRUNPDIASIGJ-HZPDHXFCSA-N 1 3 355.523 2.680 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000862481853 730704083 /nfs/dbraw/zinc/70/40/83/730704083.db2.gz ADWRUNPDIASIGJ-HZPDHXFCSA-N 1 3 355.523 2.680 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)c1ccsc1 ZINC000652127619 731168907 /nfs/dbraw/zinc/16/89/07/731168907.db2.gz ZFSVNFCXMNKGIJ-KRWDZBQOSA-N 1 3 352.548 2.820 20 0 FFADHO O=C(CNC[C@@H]1CCCO1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653252987 731251452 /nfs/dbraw/zinc/25/14/52/731251452.db2.gz BSPSVPKBDUCHDZ-KRWDZBQOSA-N 1 3 363.527 2.582 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000654351241 731353425 /nfs/dbraw/zinc/35/34/25/731353425.db2.gz DLUMODLQQYTOKJ-OWCLPIDISA-N 1 3 350.532 2.524 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849493 738536112 /nfs/dbraw/zinc/53/61/12/738536112.db2.gz DIJRYKSWOAQWCZ-OCCSQVGLSA-N 1 3 351.516 2.911 20 0 FFADHO O=C1O[C@H](CN[C@@H]2CCSc3c(F)cccc32)CC12CC[NH2+]CC2 ZINC000925852148 738536849 /nfs/dbraw/zinc/53/68/49/738536849.db2.gz GWQAJBJYSMPROH-SWLSCSKDSA-N 1 3 350.459 2.638 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c2cccs2)CC1 ZINC000659426923 731974588 /nfs/dbraw/zinc/97/45/88/731974588.db2.gz HIROHUAQCWACHJ-HNNXBMFYSA-N 1 3 352.548 2.900 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)c2cccs2)CC1 ZINC000659427394 731974822 /nfs/dbraw/zinc/97/48/22/731974822.db2.gz MVTGYXOWLHSTPK-KOHRHEQBSA-N 1 3 362.543 2.654 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000660404390 732105515 /nfs/dbraw/zinc/10/55/15/732105515.db2.gz GLXSOQSKYXZWSG-KZNAEPCWSA-N 1 3 352.567 2.917 20 0 FFADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@H]3CC3(Cl)Cl)c2)C1 ZINC000877026554 732314207 /nfs/dbraw/zinc/31/42/07/732314207.db2.gz FBURRQGZSWSQSX-JKSUJKDBSA-N 1 3 370.324 2.667 20 0 FFADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@H]3CC3(Cl)Cl)c2)C1 ZINC000877026554 732314211 /nfs/dbraw/zinc/31/42/11/732314211.db2.gz FBURRQGZSWSQSX-JKSUJKDBSA-N 1 3 370.324 2.667 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662666797 732345000 /nfs/dbraw/zinc/34/50/00/732345000.db2.gz VSXWHHSOQIFZJI-WFASDCNBSA-N 1 3 361.433 2.543 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1Cl ZINC000662694980 732347165 /nfs/dbraw/zinc/34/71/65/732347165.db2.gz VFVYRYSYVXRBLZ-UHFFFAOYSA-N 1 3 351.878 2.894 20 0 FFADHO C[NH+](C)CCOc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1Cl ZINC000662694463 732347191 /nfs/dbraw/zinc/34/71/91/732347191.db2.gz QQVPFQKSANKTKY-UHFFFAOYSA-N 1 3 351.878 2.881 20 0 FFADHO Cc1cccc(Cl)c1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000878317765 732513957 /nfs/dbraw/zinc/51/39/57/732513957.db2.gz VFJJRMWFHRACKP-MRXNPFEDSA-N 1 3 366.937 2.545 20 0 FFADHO COC[C@H](C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)OC ZINC000781426730 738627121 /nfs/dbraw/zinc/62/71/21/738627121.db2.gz MHFPDRDYZYEIIC-APWZRJJASA-N 1 3 350.503 2.993 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000664803824 732634248 /nfs/dbraw/zinc/63/42/48/732634248.db2.gz RDVPNHVSCWBPTQ-JCGIZDLHSA-N 1 3 366.937 2.767 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000664803824 732634251 /nfs/dbraw/zinc/63/42/51/732634251.db2.gz RDVPNHVSCWBPTQ-JCGIZDLHSA-N 1 3 366.937 2.767 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(OC(F)F)c1 ZINC000665560624 732727130 /nfs/dbraw/zinc/72/71/30/732727130.db2.gz SUFVVTLGCWRHHR-ZDUSSCGKSA-N 1 3 358.433 2.682 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(OC(F)F)c1 ZINC000665560624 732727135 /nfs/dbraw/zinc/72/71/35/732727135.db2.gz SUFVVTLGCWRHHR-ZDUSSCGKSA-N 1 3 358.433 2.682 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1c(F)cccc1Cl ZINC000665637258 732734219 /nfs/dbraw/zinc/73/42/19/732734219.db2.gz ZCGCELWRAVFHTC-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1c(F)cccc1Cl ZINC000665637258 732734222 /nfs/dbraw/zinc/73/42/22/732734222.db2.gz ZCGCELWRAVFHTC-AWEZNQCLSA-N 1 3 372.916 2.893 20 0 FFADHO CCOc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665635739 732734401 /nfs/dbraw/zinc/73/44/01/732734401.db2.gz GIPWPUFEEMVCCC-AWEZNQCLSA-N 1 3 354.470 2.618 20 0 FFADHO CCOc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665635739 732734405 /nfs/dbraw/zinc/73/44/05/732734405.db2.gz GIPWPUFEEMVCCC-AWEZNQCLSA-N 1 3 354.470 2.618 20 0 FFADHO C[NH+]1CCC(CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)(N2CCCCC2)CC1 ZINC000889247038 734156688 /nfs/dbraw/zinc/15/66/88/734156688.db2.gz CAAKNZAIWCRNDN-AYHJJNSGSA-N 1 3 365.587 2.727 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(N)ccn2)[C@H]1c1cccs1 ZINC000891596884 734450291 /nfs/dbraw/zinc/45/02/91/734450291.db2.gz GDLYXZCEJIACQG-GUYCJALGSA-N 1 3 359.499 2.608 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(N)ccn2)[C@H]1c1cccs1 ZINC000891596884 734450293 /nfs/dbraw/zinc/45/02/93/734450293.db2.gz GDLYXZCEJIACQG-GUYCJALGSA-N 1 3 359.499 2.608 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000892192765 734527219 /nfs/dbraw/zinc/52/72/19/734527219.db2.gz OSRGSZJAOIVUPV-RDJZCZTQSA-N 1 3 358.368 2.650 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)CC1 ZINC000893496502 734709839 /nfs/dbraw/zinc/70/98/39/734709839.db2.gz CABLAULWPFZXRQ-RBUKOAKNSA-N 1 3 350.551 2.623 20 0 FFADHO Clc1nc(N2CCOCC2)sc1CNCCCCC[NH+]1CCCC1 ZINC000894860509 734929047 /nfs/dbraw/zinc/92/90/47/734929047.db2.gz PKYSVLBCQGFFQD-UHFFFAOYSA-N 1 3 372.966 2.989 20 0 FFADHO COC(=O)N1CCC[C@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345676 735935256 /nfs/dbraw/zinc/93/52/56/735935256.db2.gz FUNUUQSPSUVAHT-WMLDXEAASA-N 1 3 355.429 2.955 20 0 FFADHO [NH3+]CCCC[C@@H](NCC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1F ZINC000902404621 735942865 /nfs/dbraw/zinc/94/28/65/735942865.db2.gz XTXNEIXXROOMLU-RHSMWYFYSA-N 1 3 360.470 2.692 20 0 FFADHO N[C@H]1C[C@@H]([NH2+]CC2(OCCO)CCC(C(F)F)CC2)c2ccccc21 ZINC000902434163 735946124 /nfs/dbraw/zinc/94/61/24/735946124.db2.gz MGBYQZCHADOWBS-UVSGXRLASA-N 1 3 354.441 2.924 20 0 FFADHO Brc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cs1 ZINC000903509566 736103780 /nfs/dbraw/zinc/10/37/80/736103780.db2.gz JEQLXAAGPQIXMM-GASCZTMLSA-N 1 3 370.360 2.911 20 0 FFADHO Brc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cs1 ZINC000903509566 736103785 /nfs/dbraw/zinc/10/37/85/736103785.db2.gz JEQLXAAGPQIXMM-GASCZTMLSA-N 1 3 370.360 2.911 20 0 FFADHO Brc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cs1 ZINC000903509566 736103790 /nfs/dbraw/zinc/10/37/90/736103790.db2.gz JEQLXAAGPQIXMM-GASCZTMLSA-N 1 3 370.360 2.911 20 0 FFADHO COc1cccc(C(F)F)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000912302546 737289221 /nfs/dbraw/zinc/28/92/21/737289221.db2.gz DRTBEQQJHWPBHW-ZDUSSCGKSA-N 1 3 357.445 2.635 20 0 FFADHO COc1cccc(C(F)F)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000912302546 737289223 /nfs/dbraw/zinc/28/92/23/737289223.db2.gz DRTBEQQJHWPBHW-ZDUSSCGKSA-N 1 3 357.445 2.635 20 0 FFADHO CC1CCN([C@H](CNC(=S)NCC[NH+](C)C)c2cccs2)CC1 ZINC000916118944 737679448 /nfs/dbraw/zinc/67/94/48/737679448.db2.gz QQCNGBXGKMDRKS-OAHLLOKOSA-N 1 3 354.589 2.547 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CCCS(C)(=O)=O)cc1CN1CCCCC1 ZINC000775378756 738088702 /nfs/dbraw/zinc/08/87/02/738088702.db2.gz AKOBWPTVFKDNLP-INIZCTEOSA-N 1 3 368.543 2.766 20 0 FFADHO O[C@H](CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000923362916 738275971 /nfs/dbraw/zinc/27/59/71/738275971.db2.gz QRKXGRWFWLKODB-ZMSDIMECSA-N 1 3 353.304 2.804 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@@H](O)c1ccccc1C(F)(F)F)CC2 ZINC000923440551 738284286 /nfs/dbraw/zinc/28/42/86/738284286.db2.gz ITNOSJNGRPYABE-XJKSGUPXSA-N 1 3 358.404 2.569 20 0 FFADHO C[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(Br)cc1 ZINC000923503151 738292838 /nfs/dbraw/zinc/29/28/38/738292838.db2.gz HDBVXWUEOJZKLN-IPYPFGDCSA-N 1 3 368.319 2.543 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(F)c(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000930136572 739063836 /nfs/dbraw/zinc/06/38/36/739063836.db2.gz NPNZIRHFEDCWEI-KXBFYZLASA-N 1 3 369.912 2.816 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(F)c(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000930136572 739063840 /nfs/dbraw/zinc/06/38/40/739063840.db2.gz NPNZIRHFEDCWEI-KXBFYZLASA-N 1 3 369.912 2.816 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc([Si](C)(C)C)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000801935306 740665584 /nfs/dbraw/zinc/66/55/84/740665584.db2.gz CERKEKNPMOWBIU-NQIIRXRSSA-N 1 3 359.634 2.690 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc([Si](C)(C)C)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000801935306 740665586 /nfs/dbraw/zinc/66/55/86/740665586.db2.gz CERKEKNPMOWBIU-NQIIRXRSSA-N 1 3 359.634 2.690 20 0 FFADHO C[N@H+](C[C@@H](O)CN1CCC[C@H]1Cc1ccc(Br)cc1)C1CC1 ZINC000809936982 741363911 /nfs/dbraw/zinc/36/39/11/741363911.db2.gz SVBIPPOSKMELBQ-ZWKOTPCHSA-N 1 3 367.331 2.911 20 0 FFADHO C[N@@H+](C[C@@H](O)CN1CCC[C@H]1Cc1ccc(Br)cc1)C1CC1 ZINC000809936982 741363913 /nfs/dbraw/zinc/36/39/13/741363913.db2.gz SVBIPPOSKMELBQ-ZWKOTPCHSA-N 1 3 367.331 2.911 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3c(F)cccc3Cl)CC2)CC[N@@H+]1C ZINC000996607303 741995907 /nfs/dbraw/zinc/99/59/07/741995907.db2.gz MGUUQEFBJYNPFA-UKRRQHHQSA-N 1 3 367.896 2.900 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3c(F)cccc3Cl)CC2)CC[N@H+]1C ZINC000996607303 741995910 /nfs/dbraw/zinc/99/59/10/741995910.db2.gz MGUUQEFBJYNPFA-UKRRQHHQSA-N 1 3 367.896 2.900 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000819174695 742348197 /nfs/dbraw/zinc/34/81/97/742348197.db2.gz QUIGNXVPBLSJEA-CEXWTWQISA-N 1 3 370.896 2.870 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3cc4ccccc4s3)C2)CC[N@@H+]1C ZINC001014476955 742468749 /nfs/dbraw/zinc/46/87/49/742468749.db2.gz UAXVQRXJXRVQMO-UWWQBHOKSA-N 1 3 357.523 2.932 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3cc4ccccc4s3)C2)CC[N@H+]1C ZINC001014476955 742468751 /nfs/dbraw/zinc/46/87/51/742468751.db2.gz UAXVQRXJXRVQMO-UWWQBHOKSA-N 1 3 357.523 2.932 20 0 FFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001020173159 742536325 /nfs/dbraw/zinc/53/63/25/742536325.db2.gz URXJFLBMRLQSJC-CCECPURYSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001020173159 742536329 /nfs/dbraw/zinc/53/63/29/742536329.db2.gz URXJFLBMRLQSJC-CCECPURYSA-N 1 3 351.441 2.603 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC001020174569 742536438 /nfs/dbraw/zinc/53/64/38/742536438.db2.gz HHVLHFHGINIMGR-NBOOPKSLSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC001020174569 742536443 /nfs/dbraw/zinc/53/64/43/742536443.db2.gz HHVLHFHGINIMGR-NBOOPKSLSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(Cl)cc3F)C2)CC[N@@H+]1C ZINC001020174630 742536710 /nfs/dbraw/zinc/53/67/10/742536710.db2.gz JWKRNWDGSABCJY-NBOOPKSLSA-N 1 3 367.896 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(Cl)cc3F)C2)CC[N@H+]1C ZINC001020174630 742536715 /nfs/dbraw/zinc/53/67/15/742536715.db2.gz JWKRNWDGSABCJY-NBOOPKSLSA-N 1 3 367.896 2.946 20 0 FFADHO CC1CCN(CCC[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823601762 742944483 /nfs/dbraw/zinc/94/44/83/742944483.db2.gz AHXDJMFYXVMEAZ-YLJYHZDGSA-N 1 3 351.535 2.955 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1csc(C2CCCC2)n1 ZINC000824401291 743071245 /nfs/dbraw/zinc/07/12/45/743071245.db2.gz LNOGATNKCLAGLV-HNNXBMFYSA-N 1 3 366.575 2.731 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1csc(C2CCCC2)n1 ZINC000824401291 743071255 /nfs/dbraw/zinc/07/12/55/743071255.db2.gz LNOGATNKCLAGLV-HNNXBMFYSA-N 1 3 366.575 2.731 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(CCC(F)(F)F)C[C@H]32)CC[N@@H+]1C ZINC001050050525 743493573 /nfs/dbraw/zinc/49/35/73/743493573.db2.gz DXBABWXRRDNZIQ-CAOSSQGBSA-N 1 3 361.452 2.592 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3CN(CCC(F)(F)F)C[C@H]32)CC[N@H+]1C ZINC001050050525 743493578 /nfs/dbraw/zinc/49/35/78/743493578.db2.gz DXBABWXRRDNZIQ-CAOSSQGBSA-N 1 3 361.452 2.592 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(Cl)n1 ZINC000827625078 744949961 /nfs/dbraw/zinc/94/99/61/744949961.db2.gz KEWABLYOGUSDAR-GKLJAUDBSA-N 1 3 366.937 2.916 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000831095133 745479686 /nfs/dbraw/zinc/47/96/86/745479686.db2.gz WKXMDDFTIRMHDO-PMPSAXMXSA-N 1 3 350.894 2.519 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000831095133 745479690 /nfs/dbraw/zinc/47/96/90/745479690.db2.gz WKXMDDFTIRMHDO-PMPSAXMXSA-N 1 3 350.894 2.519 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC2CC([NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000831960862 745611573 /nfs/dbraw/zinc/61/15/73/745611573.db2.gz OZWIUKHUJYILKB-GPANFISMSA-N 1 3 350.894 2.566 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ncc(Cl)s3)CC2)CC1 ZINC000834550938 745857942 /nfs/dbraw/zinc/85/79/42/745857942.db2.gz WBZCAFHHLYMDTM-UHFFFAOYSA-N 1 3 370.950 2.609 20 0 FFADHO CSc1ccc([C@H](CNC(=S)NC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000840768102 747177747 /nfs/dbraw/zinc/17/77/47/747177747.db2.gz SJMHARGRJQBNDJ-KRWDZBQOSA-N 1 3 366.600 2.570 20 0 FFADHO FC(F)Sc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070196 747263842 /nfs/dbraw/zinc/26/38/42/747263842.db2.gz MASWMEXDTGYNTD-CYBMUJFWSA-N 1 3 369.403 2.927 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928178 747487840 /nfs/dbraw/zinc/48/78/40/747487840.db2.gz LOWSTACTKXXOTR-UHFFFAOYSA-N 1 3 360.527 2.523 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(SC(F)F)cc1 ZINC000843386199 747821716 /nfs/dbraw/zinc/82/17/16/747821716.db2.gz DTLUTVNJGIUSHR-BETUJISGSA-N 1 3 355.454 2.871 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000844186147 747984526 /nfs/dbraw/zinc/98/45/26/747984526.db2.gz UYUYPANLYAHMAN-BPUTZDHNSA-N 1 3 352.910 2.765 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000844186147 747984532 /nfs/dbraw/zinc/98/45/32/747984532.db2.gz UYUYPANLYAHMAN-BPUTZDHNSA-N 1 3 352.910 2.765 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000849113672 749055801 /nfs/dbraw/zinc/05/58/01/749055801.db2.gz ZLNVTCUXAHRYOE-FUHWJXTLSA-N 1 3 363.575 2.609 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000852414784 749854590 /nfs/dbraw/zinc/85/45/90/749854590.db2.gz UZAOPFPZRYNWFE-ABHNRTSZSA-N 1 3 350.551 2.956 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852838771 749963602 /nfs/dbraw/zinc/96/36/02/749963602.db2.gz OFLIZIGKNHXTGG-HIFRSBDPSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852838771 749963608 /nfs/dbraw/zinc/96/36/08/749963608.db2.gz OFLIZIGKNHXTGG-HIFRSBDPSA-N 1 3 352.910 2.670 20 0 FFADHO Ic1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000380923683 845822857 /nfs/dbraw/zinc/82/28/57/845822857.db2.gz COUGCHPPHNRXTG-OKILXGFUSA-N 1 3 356.251 2.723 20 0 FFADHO CCNc1ccc(C)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000896004929 971142433 /nfs/dbraw/zinc/14/24/33/971142433.db2.gz TXOQFNGHQAMMOC-UHFFFAOYSA-N 1 3 358.530 2.715 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)cc2)C1 ZINC001104937570 971184142 /nfs/dbraw/zinc/18/41/42/971184142.db2.gz FHYYYLWKBOYCFE-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO COc1ccc(CN2CC[C@H](N3CCC(CCC[NH+](C)C)CC3)C2=O)cc1 ZINC000660156516 971386191 /nfs/dbraw/zinc/38/61/91/971386191.db2.gz GXZDJBMQZDVVCB-NRFANRHFSA-N 1 3 373.541 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccsc4)C[C@H]3C2)CC[N@@H+]1C ZINC001087972008 971412085 /nfs/dbraw/zinc/41/20/85/971412085.db2.gz FTNHAPWYGGOVOV-YDZRNGNQSA-N 1 3 361.555 2.759 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccsc4)C[C@H]3C2)CC[N@H+]1C ZINC001087972008 971412088 /nfs/dbraw/zinc/41/20/88/971412088.db2.gz FTNHAPWYGGOVOV-YDZRNGNQSA-N 1 3 361.555 2.759 20 0 FFADHO Cc1ccc(CC[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001105064387 971437529 /nfs/dbraw/zinc/43/75/29/971437529.db2.gz MRKQAZVQPQSXHB-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2F)C1 ZINC001105064534 971437912 /nfs/dbraw/zinc/43/79/12/971437912.db2.gz UZSWNKCZFULMQD-IEBWSBKVSA-N 1 3 363.521 2.783 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)cc1 ZINC001087992068 971733904 /nfs/dbraw/zinc/73/39/04/971733904.db2.gz BOWAYWHSERDBJL-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)cc1 ZINC001087992068 971733912 /nfs/dbraw/zinc/73/39/12/971733912.db2.gz BOWAYWHSERDBJL-UXHICEINSA-N 1 3 355.526 2.760 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993462 971739398 /nfs/dbraw/zinc/73/93/98/971739398.db2.gz PJHPPLVKHMCCJG-BHIFYINESA-N 1 3 369.553 2.870 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993462 971739405 /nfs/dbraw/zinc/73/94/05/971739405.db2.gz PJHPPLVKHMCCJG-BHIFYINESA-N 1 3 369.553 2.870 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)cs1 ZINC001087992943 971737520 /nfs/dbraw/zinc/73/75/20/971737520.db2.gz SRZCAESJKOIOPM-MSOLQXFVSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)cs1 ZINC001087992943 971737525 /nfs/dbraw/zinc/73/75/25/971737525.db2.gz SRZCAESJKOIOPM-MSOLQXFVSA-N 1 3 361.555 2.821 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCc5ccccc54)CC[C@@H]3C2)CCC1 ZINC001087992870 971737666 /nfs/dbraw/zinc/73/76/66/971737666.db2.gz PVHFJFSRSJOMAM-DYXWJJEUSA-N 1 3 367.537 2.939 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCc5ccccc54)CC[C@@H]3C2)CCC1 ZINC001087992870 971737671 /nfs/dbraw/zinc/73/76/71/971737671.db2.gz PVHFJFSRSJOMAM-DYXWJJEUSA-N 1 3 367.537 2.939 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088010757 971843618 /nfs/dbraw/zinc/84/36/18/971843618.db2.gz JBUBWDUAHHWRHA-OWWXFVBASA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088010757 971843622 /nfs/dbraw/zinc/84/36/22/971843622.db2.gz JBUBWDUAHHWRHA-OWWXFVBASA-N 1 3 355.526 2.820 20 0 FFADHO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)CCCCCC[NH3+] ZINC000872155285 1013158089 /nfs/dbraw/zinc/15/80/89/1013158089.db2.gz QIPDHJVLTCEVPF-INIZCTEOSA-N 1 3 360.502 2.591 20 0 FFADHO O[C@H](c1ccccc1)C1(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872214729 1013181608 /nfs/dbraw/zinc/18/16/08/1013181608.db2.gz CEXIFWKGQJAKPL-FYYLOGMGSA-N 1 3 366.505 2.727 20 0 FFADHO O[C@H](c1ccccc1)C1(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872214729 1013181614 /nfs/dbraw/zinc/18/16/14/1013181614.db2.gz CEXIFWKGQJAKPL-FYYLOGMGSA-N 1 3 366.505 2.727 20 0 FFADHO CC[C@@H]1COC(C)(C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655163760 959555158 /nfs/dbraw/zinc/55/51/58/959555158.db2.gz YPZDDCVWKCUZJM-GOSISDBHSA-N 1 3 365.562 2.599 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc3ccccc3c1)C2 ZINC000660653301 972442712 /nfs/dbraw/zinc/44/27/12/972442712.db2.gz APXOHVNJTOKQDY-IRLDBZIGSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc3ccccc3c1)C2 ZINC000660653301 972442714 /nfs/dbraw/zinc/44/27/14/972442714.db2.gz APXOHVNJTOKQDY-IRLDBZIGSA-N 1 3 354.494 2.997 20 0 FFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969687430 959764624 /nfs/dbraw/zinc/76/46/24/959764624.db2.gz BEBKUZTZPGURDB-ORYQWCPZSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969687430 959764633 /nfs/dbraw/zinc/76/46/33/959764633.db2.gz BEBKUZTZPGURDB-ORYQWCPZSA-N 1 3 357.542 2.916 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CCOC2CCCCCC2)C1 ZINC000969700393 959777989 /nfs/dbraw/zinc/77/79/89/959777989.db2.gz PAOMAPISDZKPJB-SQGPQFPESA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CCOC2CCCCCC2)C1 ZINC000969700393 959778000 /nfs/dbraw/zinc/77/80/00/959778000.db2.gz PAOMAPISDZKPJB-SQGPQFPESA-N 1 3 365.562 2.503 20 0 FFADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000655814502 961400444 /nfs/dbraw/zinc/40/04/44/961400444.db2.gz MRBOYOZATSVMEN-FQEVSTJZSA-N 1 3 353.466 2.670 20 0 FFADHO Cc1ccc(F)c(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000960009007 1013301685 /nfs/dbraw/zinc/30/16/85/1013301685.db2.gz UKXDVDKYSXNSPN-NZSAHSFTSA-N 1 3 361.505 2.945 20 0 FFADHO Cc1ccc(F)c(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000960009007 1013301694 /nfs/dbraw/zinc/30/16/94/1013301694.db2.gz UKXDVDKYSXNSPN-NZSAHSFTSA-N 1 3 361.505 2.945 20 0 FFADHO CC(C)CCOCC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104290021 962225849 /nfs/dbraw/zinc/22/58/49/962225849.db2.gz XLGUYTMBYYMBAM-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000653148727 962260433 /nfs/dbraw/zinc/26/04/33/962260433.db2.gz JIPCNJFEESNRHF-RTWAWAEBSA-N 1 3 355.526 2.684 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001095437012 1013366259 /nfs/dbraw/zinc/36/62/59/1013366259.db2.gz GOQFDXYUAIKFGA-JFHUYLGKSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001095437012 1013366271 /nfs/dbraw/zinc/36/62/71/1013366271.db2.gz GOQFDXYUAIKFGA-JFHUYLGKSA-N 1 3 355.526 2.865 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000649360448 1013375256 /nfs/dbraw/zinc/37/52/56/1013375256.db2.gz XERMLTAKHZTWJU-WIYYLYMNSA-N 1 3 359.489 2.640 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000649381338 1013387207 /nfs/dbraw/zinc/38/72/07/1013387207.db2.gz MFSDHSFGGFYSRZ-LAUBAEHRSA-N 1 3 363.505 2.510 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000649381338 1013387218 /nfs/dbraw/zinc/38/72/18/1013387218.db2.gz MFSDHSFGGFYSRZ-LAUBAEHRSA-N 1 3 363.505 2.510 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(OC)CCOCC2)CC1 ZINC000123085612 963126605 /nfs/dbraw/zinc/12/66/05/963126605.db2.gz GPJKYFYHUZWRCE-UHFFFAOYSA-N 1 3 361.530 2.504 20 0 FFADHO Cc1ccc(F)cc1CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960642248 1013436157 /nfs/dbraw/zinc/43/61/57/1013436157.db2.gz OTCYRWKAGHPFJB-NSISKUIASA-N 1 3 361.505 2.897 20 0 FFADHO Cc1ccc(F)cc1CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960642248 1013436167 /nfs/dbraw/zinc/43/61/67/1013436167.db2.gz OTCYRWKAGHPFJB-NSISKUIASA-N 1 3 361.505 2.897 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090169370 963964024 /nfs/dbraw/zinc/96/40/24/963964024.db2.gz IMOUPTSAAHVJAX-TZIWHRDSSA-N 1 3 358.574 2.655 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2cc(N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000891656694 964748612 /nfs/dbraw/zinc/74/86/12/964748612.db2.gz UQBNQCXIQDWWFA-MAUKXSAKSA-N 1 3 353.470 2.516 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2cc(N)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000891656694 964748615 /nfs/dbraw/zinc/74/86/15/964748615.db2.gz UQBNQCXIQDWWFA-MAUKXSAKSA-N 1 3 353.470 2.516 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2cc(N)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000891656696 964749241 /nfs/dbraw/zinc/74/92/41/964749241.db2.gz UQBNQCXIQDWWFA-YJBOKZPZSA-N 1 3 353.470 2.516 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2cc(N)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000891656696 964749255 /nfs/dbraw/zinc/74/92/55/964749255.db2.gz UQBNQCXIQDWWFA-YJBOKZPZSA-N 1 3 353.470 2.516 20 0 FFADHO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnn(C)c1 ZINC000090971269 965005804 /nfs/dbraw/zinc/00/58/04/965005804.db2.gz AAVRENRNFKKKRE-QGZVFWFLSA-N 1 3 353.514 2.803 20 0 FFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087467357 965068005 /nfs/dbraw/zinc/06/80/05/965068005.db2.gz RNPFKLGYMRFJNE-WOJBJXKFSA-N 1 3 361.505 2.852 20 0 FFADHO Cc1cncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C2CCC2)c1 ZINC001087175306 965096798 /nfs/dbraw/zinc/09/67/98/965096798.db2.gz HACSAGPKNWVROV-UZLBHIALSA-N 1 3 358.530 2.591 20 0 FFADHO COC1CCN(C2(C[NH2+]Cc3ccnn3-c3ccncc3)CCCC2)CC1 ZINC000657355570 966262639 /nfs/dbraw/zinc/26/26/39/966262639.db2.gz UVTGBPKAILVUHG-UHFFFAOYSA-N 1 3 369.513 2.781 20 0 FFADHO COC1CC[NH+](C2(CNCc3ccnn3-c3ccncc3)CCCC2)CC1 ZINC000657355570 966262650 /nfs/dbraw/zinc/26/26/50/966262650.db2.gz UVTGBPKAILVUHG-UHFFFAOYSA-N 1 3 369.513 2.781 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNc2cc(C)nc(N)n2)cc1OC ZINC000052448002 967602490 /nfs/dbraw/zinc/60/24/90/967602490.db2.gz XEHIIBYZMJOBLW-UHFFFAOYSA-N 1 3 359.474 2.709 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645440500 967730416 /nfs/dbraw/zinc/73/04/16/967730416.db2.gz ZQRKMDDREWGQFJ-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CCCN(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645440500 967730424 /nfs/dbraw/zinc/73/04/24/967730424.db2.gz ZQRKMDDREWGQFJ-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(Cc2ccc3c(c2)CCC3)C2CC2)CC[N@@H+]1C ZINC001267326471 967880111 /nfs/dbraw/zinc/88/01/11/967880111.db2.gz WNEBJZXQGNCSEH-FCHUYYIVSA-N 1 3 369.553 2.986 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(Cc2ccc3c(c2)CCC3)C2CC2)CC[N@H+]1C ZINC001267326471 967880125 /nfs/dbraw/zinc/88/01/25/967880125.db2.gz WNEBJZXQGNCSEH-FCHUYYIVSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001075810511 967996652 /nfs/dbraw/zinc/99/66/52/967996652.db2.gz IGYPOINCFQZJKW-CGBHKZFNSA-N 1 3 353.510 2.573 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C/C=C\c4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001075810511 967996659 /nfs/dbraw/zinc/99/66/59/967996659.db2.gz IGYPOINCFQZJKW-CGBHKZFNSA-N 1 3 353.510 2.573 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001211615991 968027575 /nfs/dbraw/zinc/02/75/75/968027575.db2.gz PUWYBZGECZDBSB-CIRUDOSSSA-N 1 3 361.917 2.807 20 0 FFADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001267375130 968107211 /nfs/dbraw/zinc/10/72/11/968107211.db2.gz VUIKFSGOGYLQRS-GZBFAFLISA-N 1 3 355.885 2.928 20 0 FFADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001267375130 968107213 /nfs/dbraw/zinc/10/72/13/968107213.db2.gz VUIKFSGOGYLQRS-GZBFAFLISA-N 1 3 355.885 2.928 20 0 FFADHO CN(Cc1cnc(-c2ccccn2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457124 968225325 /nfs/dbraw/zinc/22/53/25/968225325.db2.gz DUKLMXDKMWJEMJ-QGZVFWFLSA-N 1 3 371.554 2.805 20 0 FFADHO CCc1[nH]c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C(=O)OC ZINC000895251417 968781501 /nfs/dbraw/zinc/78/15/01/968781501.db2.gz KJULWCDMSUPAOZ-UHFFFAOYSA-N 1 3 370.497 2.761 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892597559 969553966 /nfs/dbraw/zinc/55/39/66/969553966.db2.gz DLOFLIYGRLQBNO-ACDBMABISA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000659030389 969645370 /nfs/dbraw/zinc/64/53/70/969645370.db2.gz GNFINJYUQTYMBV-GPMSIDNRSA-N 1 3 360.502 2.732 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[N@H+]1CCCC[C@H]1C ZINC000659030389 969645375 /nfs/dbraw/zinc/64/53/75/969645375.db2.gz GNFINJYUQTYMBV-GPMSIDNRSA-N 1 3 360.502 2.732 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000659030351 969645457 /nfs/dbraw/zinc/64/54/57/969645457.db2.gz GGHUXCRQPYOPLP-MDZRGWNJSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000659030351 969645459 /nfs/dbraw/zinc/64/54/59/969645459.db2.gz GGHUXCRQPYOPLP-MDZRGWNJSA-N 1 3 360.502 2.589 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001104641186 970010716 /nfs/dbraw/zinc/01/07/16/970010716.db2.gz DQGYANLPECEPNG-DJIMGWMZSA-N 1 3 359.505 2.692 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCc1ccccc1 ZINC001104676661 970086073 /nfs/dbraw/zinc/08/60/73/970086073.db2.gz SSGIHWHCFKBEOI-SVFBPWRDSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001104682462 970097977 /nfs/dbraw/zinc/09/79/77/970097977.db2.gz RSYLZFWUKNCXRC-GUDVDZBRSA-N 1 3 367.578 2.608 20 0 FFADHO Cc1ccc(CCC[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001104728961 970181502 /nfs/dbraw/zinc/18/15/02/970181502.db2.gz JRYZLCKWDCUBGA-UYAOXDASSA-N 1 3 368.525 2.968 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCCc1ccsc1 ZINC001104729200 970181629 /nfs/dbraw/zinc/18/16/29/970181629.db2.gz QXPWJEUFCWDLCY-NVXWUHKLSA-N 1 3 360.527 2.721 20 0 FFADHO CCc1ccccc1C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729194 970182303 /nfs/dbraw/zinc/18/23/03/970182303.db2.gz QODLYYCLWLRIPF-VQIMIIECSA-N 1 3 354.498 2.789 20 0 FFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000892941483 970395071 /nfs/dbraw/zinc/39/50/71/970395071.db2.gz AZLXMSVBNIJHJW-UXDRXVOSSA-N 1 3 360.521 2.853 20 0 FFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000892941483 970395075 /nfs/dbraw/zinc/39/50/75/970395075.db2.gz AZLXMSVBNIJHJW-UXDRXVOSSA-N 1 3 360.521 2.853 20 0 FFADHO COc1ccc(CN2CC[C@@H](N3CCC(C[N@H+](C)C(C)C)CC3)C2=O)cc1 ZINC000659876289 970708204 /nfs/dbraw/zinc/70/82/04/970708204.db2.gz DIGHPDDQZVFYIH-OAQYLSRUSA-N 1 3 373.541 2.848 20 0 FFADHO COc1ccc(CN2CC[C@@H](N3CCC(C[N@@H+](C)C(C)C)CC3)C2=O)cc1 ZINC000659876289 970708214 /nfs/dbraw/zinc/70/82/14/970708214.db2.gz DIGHPDDQZVFYIH-OAQYLSRUSA-N 1 3 373.541 2.848 20 0 FFADHO OCCC1CCN(CC(C[NH+]2CCC(CCO)CC2)c2ccccc2)CC1 ZINC000639493530 972675262 /nfs/dbraw/zinc/67/52/62/972675262.db2.gz MLHHAHMZKAAXLH-UHFFFAOYSA-N 1 3 374.569 2.959 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)N(C)C ZINC001088095233 972736331 /nfs/dbraw/zinc/73/63/31/972736331.db2.gz BGBDAHWHSXUPJS-HSALFYBXSA-N 1 3 361.574 2.933 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)N(C)C ZINC001088095233 972736339 /nfs/dbraw/zinc/73/63/39/972736339.db2.gz BGBDAHWHSXUPJS-HSALFYBXSA-N 1 3 361.574 2.933 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000665555667 972759921 /nfs/dbraw/zinc/75/99/21/972759921.db2.gz JQLLYIWBMKSREI-RBUKOAKNSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000665555667 972759926 /nfs/dbraw/zinc/75/99/26/972759926.db2.gz JQLLYIWBMKSREI-RBUKOAKNSA-N 1 3 358.530 2.775 20 0 FFADHO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c1 ZINC001088105882 972819975 /nfs/dbraw/zinc/81/99/75/972819975.db2.gz GHATYOHXJASTNM-QIJUGHKUSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c1 ZINC001088105882 972819982 /nfs/dbraw/zinc/81/99/82/972819982.db2.gz GHATYOHXJASTNM-QIJUGHKUSA-N 1 3 369.553 2.871 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]2C1)N(C)C ZINC001088109407 972834760 /nfs/dbraw/zinc/83/47/60/972834760.db2.gz DDFHFGZAKPAJDK-DYXWJJEUSA-N 1 3 368.525 2.788 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]2C1)N(C)C ZINC001088109407 972834766 /nfs/dbraw/zinc/83/47/66/972834766.db2.gz DDFHFGZAKPAJDK-DYXWJJEUSA-N 1 3 368.525 2.788 20 0 FFADHO CC1(C)CCC(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC1 ZINC001088120935 972927665 /nfs/dbraw/zinc/92/76/65/972927665.db2.gz GMRNLBZYNPXQTB-MSOLQXFVSA-N 1 3 358.530 2.949 20 0 FFADHO CC1(C)CCC(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC1 ZINC001088120935 972927672 /nfs/dbraw/zinc/92/76/72/972927672.db2.gz GMRNLBZYNPXQTB-MSOLQXFVSA-N 1 3 358.530 2.949 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)CC1 ZINC001088150850 973177138 /nfs/dbraw/zinc/17/71/38/973177138.db2.gz ZVBOGMBJOCEBEN-UXHICEINSA-N 1 3 361.574 2.935 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)CC1 ZINC001088150850 973177143 /nfs/dbraw/zinc/17/71/43/973177143.db2.gz ZVBOGMBJOCEBEN-UXHICEINSA-N 1 3 361.574 2.935 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cc1F ZINC001088171862 973498571 /nfs/dbraw/zinc/49/85/71/973498571.db2.gz KWHYPRSKEZOMLX-MOPGFXCFSA-N 1 3 371.500 2.510 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc3c2CCC3)c1 ZINC000651699226 973564465 /nfs/dbraw/zinc/56/44/65/973564465.db2.gz LRIXPBBKIUYUGQ-UHFFFAOYSA-N 1 3 351.494 2.757 20 0 FFADHO CN(C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000876071985 1014122427 /nfs/dbraw/zinc/12/24/27/1014122427.db2.gz RWGYNARARGAMFC-HXUWFJFHSA-N 1 3 370.541 2.528 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)cc1F ZINC001088201160 973629856 /nfs/dbraw/zinc/62/98/56/973629856.db2.gz OBLBTQRXJBGBNP-MOPGFXCFSA-N 1 3 359.489 2.510 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)cc1F ZINC001088201160 973629865 /nfs/dbraw/zinc/62/98/65/973629865.db2.gz OBLBTQRXJBGBNP-MOPGFXCFSA-N 1 3 359.489 2.510 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000665637747 973784651 /nfs/dbraw/zinc/78/46/51/973784651.db2.gz NLTJAMKZEWPOAI-ICSRJNTNSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000665637747 973784661 /nfs/dbraw/zinc/78/46/61/973784661.db2.gz NLTJAMKZEWPOAI-ICSRJNTNSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000665757384 974083061 /nfs/dbraw/zinc/08/30/61/974083061.db2.gz IAMUPTYVTKRQLI-DLBZAZTESA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000665757384 974083074 /nfs/dbraw/zinc/08/30/74/974083074.db2.gz IAMUPTYVTKRQLI-DLBZAZTESA-N 1 3 364.509 2.597 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccccc1C[NH2+]C)c1ccco1 ZINC000652190875 974689686 /nfs/dbraw/zinc/68/96/86/974689686.db2.gz BDGLROMESLZMOM-QAPCUYQASA-N 1 3 358.486 2.928 20 0 FFADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000047978512 974703462 /nfs/dbraw/zinc/70/34/62/974703462.db2.gz BTYVARLBBANNHJ-HXUWFJFHSA-N 1 3 362.514 2.683 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652322261 974859640 /nfs/dbraw/zinc/85/96/40/974859640.db2.gz GLKPTWVXYJTNMF-GOSISDBHSA-N 1 3 358.530 2.540 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653140065 1014234773 /nfs/dbraw/zinc/23/47/73/1014234773.db2.gz KPCCNCIRPCSZTH-MRXNPFEDSA-N 1 3 371.447 2.985 20 0 FFADHO CC[N@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000653200598 1014260718 /nfs/dbraw/zinc/26/07/18/1014260718.db2.gz KDBUILMAASKRJO-DBXWQHBBSA-N 1 3 365.562 2.680 20 0 FFADHO CC[N@@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000653200598 1014260725 /nfs/dbraw/zinc/26/07/25/1014260725.db2.gz KDBUILMAASKRJO-DBXWQHBBSA-N 1 3 365.562 2.680 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cccc2c1CNC2 ZINC000662387082 975468011 /nfs/dbraw/zinc/46/80/11/975468011.db2.gz BDRWCXFYATVFKV-UHFFFAOYSA-N 1 3 367.493 2.940 20 0 FFADHO CC[C@H](F)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530129 975488260 /nfs/dbraw/zinc/48/82/60/975488260.db2.gz FJFAZSYEIJPBDW-ZWOKBUDYSA-N 1 3 353.526 2.685 20 0 FFADHO CC(C)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001087428253 975615692 /nfs/dbraw/zinc/61/56/92/975615692.db2.gz UKWBHEFLWGRWEW-QHAWAJNXSA-N 1 3 355.526 2.711 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC001027891612 975720044 /nfs/dbraw/zinc/72/00/44/975720044.db2.gz CGZKVXQUTYAAAS-SZVBFZGTSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2cc3ccccc3o2)CC[N@H+]1C ZINC001027891612 975720055 /nfs/dbraw/zinc/72/00/55/975720055.db2.gz CGZKVXQUTYAAAS-SZVBFZGTSA-N 1 3 355.482 2.854 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001027893210 975743461 /nfs/dbraw/zinc/74/34/61/975743461.db2.gz PNCXLBZLFDOLCF-YZGWKJHDSA-N 1 3 359.514 2.506 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(OC)cc2)CC[N@H+]1C ZINC001027893210 975743469 /nfs/dbraw/zinc/74/34/69/975743469.db2.gz PNCXLBZLFDOLCF-YZGWKJHDSA-N 1 3 359.514 2.506 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)c1cc(C(C)(C)N)no1)c1cccc(OC)c1 ZINC000662671603 975809341 /nfs/dbraw/zinc/80/93/41/975809341.db2.gz VUNHGCLEYXHGAY-MRXNPFEDSA-N 1 3 374.485 2.690 20 0 FFADHO CC[C@H](C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2)OC ZINC001112531830 975969067 /nfs/dbraw/zinc/96/90/67/975969067.db2.gz SODVDGAXVFSUAA-UEXGIBASSA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663697823 976877827 /nfs/dbraw/zinc/87/78/27/976877827.db2.gz QOMFPWDRHQBMAK-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663697823 976877833 /nfs/dbraw/zinc/87/78/33/976877833.db2.gz QOMFPWDRHQBMAK-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO COc1cccc([C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000876709469 1014358085 /nfs/dbraw/zinc/35/80/85/1014358085.db2.gz RQRHAGCODYHMOY-KQLHMXSUSA-N 1 3 357.498 2.504 20 0 FFADHO CCN(C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000663846767 977512782 /nfs/dbraw/zinc/51/27/82/977512782.db2.gz KXNSPWXIHUFPGM-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000663846767 977512789 /nfs/dbraw/zinc/51/27/89/977512789.db2.gz KXNSPWXIHUFPGM-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000893783018 977551428 /nfs/dbraw/zinc/55/14/28/977551428.db2.gz MRJJICKRWWNCOQ-KRWDZBQOSA-N 1 3 373.545 2.638 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000893783018 977551430 /nfs/dbraw/zinc/55/14/30/977551430.db2.gz MRJJICKRWWNCOQ-KRWDZBQOSA-N 1 3 373.545 2.638 20 0 FFADHO O=C(N1CCCN(CCCc2ccccc2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876877619 1014407330 /nfs/dbraw/zinc/40/73/30/1014407330.db2.gz DZLSVKHYMJFWIO-IRLDBZIGSA-N 1 3 355.526 2.686 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@H]2CNCc3ccccc32)(c2ccccc2)CC1 ZINC000877224276 1014516935 /nfs/dbraw/zinc/51/69/35/1014516935.db2.gz GOPJXBNEERNMAB-NRFANRHFSA-N 1 3 363.505 2.653 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)c(C)s1 ZINC001076203720 979218907 /nfs/dbraw/zinc/21/89/07/979218907.db2.gz AEPGOYNBDUGZRE-PKOBYXMFSA-N 1 3 361.555 2.739 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001076457649 979516181 /nfs/dbraw/zinc/51/61/81/979516181.db2.gz LYUVAISUYPDXCW-SLFFLAALSA-N 1 3 359.489 2.531 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(Cc4ccc(CF)cc4)C[C@H]32)C1 ZINC001076457649 979516185 /nfs/dbraw/zinc/51/61/85/979516185.db2.gz LYUVAISUYPDXCW-SLFFLAALSA-N 1 3 359.489 2.531 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001112211961 980220379 /nfs/dbraw/zinc/22/03/79/980220379.db2.gz FXJFXBFTWXPMJH-HUUCEWRRSA-N 1 3 363.468 2.742 20 0 FFADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212310 980225307 /nfs/dbraw/zinc/22/53/07/980225307.db2.gz YOVFVOOQTKECPH-BZUAXINKSA-N 1 3 365.484 2.988 20 0 FFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904389556 980261127 /nfs/dbraw/zinc/26/11/27/980261127.db2.gz NDVWSIAYMCMXSN-IBGZPJMESA-N 1 3 372.488 2.958 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904389936 980261781 /nfs/dbraw/zinc/26/17/81/980261781.db2.gz YUTPKNIPEPGBPK-HXUWFJFHSA-N 1 3 368.525 2.878 20 0 FFADHO c1ncn(-c2ccccc2CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000904475666 980284536 /nfs/dbraw/zinc/28/45/36/980284536.db2.gz PIBYJMPDCXOGED-NQIIRXRSSA-N 1 3 361.449 2.613 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(=O)[nH]c3)C2)ccn1 ZINC000877645193 1014658360 /nfs/dbraw/zinc/65/83/60/1014658360.db2.gz DCWGCXAETHXZKO-IBGZPJMESA-N 1 3 356.470 2.676 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)ccn1 ZINC000877645193 1014658364 /nfs/dbraw/zinc/65/83/64/1014658364.db2.gz DCWGCXAETHXZKO-IBGZPJMESA-N 1 3 356.470 2.676 20 0 FFADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)CC1(O)CCCCC1 ZINC000905905880 980536353 /nfs/dbraw/zinc/53/63/53/980536353.db2.gz HJORDRJHMJFTBN-NRFANRHFSA-N 1 3 360.542 2.729 20 0 FFADHO COCCN(Cc1cnn(-c2ccc(OC)cc2)c1)CC1CC[NH+](C)CC1 ZINC000877664753 1014666114 /nfs/dbraw/zinc/66/61/14/1014666114.db2.gz VNQWHZUVYQIXFR-UHFFFAOYSA-N 1 3 372.513 2.671 20 0 FFADHO CN1CC[NH+](C2CCN(Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000877747707 1014709732 /nfs/dbraw/zinc/70/97/32/1014709732.db2.gz YXBDTGTWIAMRGN-UHFFFAOYSA-N 1 3 350.510 2.960 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000906946859 981179597 /nfs/dbraw/zinc/17/95/97/981179597.db2.gz GESCFQNQHZYJIR-FQEVSTJZSA-N 1 3 373.541 2.951 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000906946859 981179604 /nfs/dbraw/zinc/17/96/04/981179604.db2.gz GESCFQNQHZYJIR-FQEVSTJZSA-N 1 3 373.541 2.951 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000650669797 1014726050 /nfs/dbraw/zinc/72/60/50/1014726050.db2.gz OTHPZQMPSQOFDW-DYXWJJEUSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@]1(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000650669797 1014726057 /nfs/dbraw/zinc/72/60/57/1014726057.db2.gz OTHPZQMPSQOFDW-DYXWJJEUSA-N 1 3 356.514 2.577 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000650709942 1014746450 /nfs/dbraw/zinc/74/64/50/1014746450.db2.gz YOJYTYGTNDKNSV-INIZCTEOSA-N 1 3 353.466 2.502 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000650709942 1014746460 /nfs/dbraw/zinc/74/64/60/1014746460.db2.gz YOJYTYGTNDKNSV-INIZCTEOSA-N 1 3 353.466 2.502 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000650724807 1014752200 /nfs/dbraw/zinc/75/22/00/1014752200.db2.gz MYIYXUHUPMNFAQ-NJYVYQBISA-N 1 3 372.488 2.931 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCOC)C3CCCC3)CC2)CC1 ZINC000654579455 1014778739 /nfs/dbraw/zinc/77/87/39/1014778739.db2.gz FVSCEYWXOTUOKE-UHFFFAOYSA-N 1 3 365.562 2.600 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCN1C ZINC000925325870 982924188 /nfs/dbraw/zinc/92/41/88/982924188.db2.gz UAFBAJXWWDEKEX-ONCXSQPRSA-N 1 3 358.530 2.774 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCN1C ZINC000925325870 982924196 /nfs/dbraw/zinc/92/41/96/982924196.db2.gz UAFBAJXWWDEKEX-ONCXSQPRSA-N 1 3 358.530 2.774 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000668899985 983916925 /nfs/dbraw/zinc/91/69/25/983916925.db2.gz ZCBMKRKPCTTXPH-MJGOQNOKSA-N 1 3 362.518 2.519 20 0 FFADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000912813617 984125616 /nfs/dbraw/zinc/12/56/16/984125616.db2.gz LWNXIVKSTCOOEJ-HLAWJBBLSA-N 1 3 372.557 2.872 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3ccccc3F)C(C)(C)C2)CC[N@@H+]1C ZINC000995824091 984140758 /nfs/dbraw/zinc/14/07/58/984140758.db2.gz HIKJYYPKCUOYEG-QXAKKESOSA-N 1 3 361.505 2.883 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3ccccc3F)C(C)(C)C2)CC[N@H+]1C ZINC000995824091 984140760 /nfs/dbraw/zinc/14/07/60/984140760.db2.gz HIKJYYPKCUOYEG-QXAKKESOSA-N 1 3 361.505 2.883 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC(C)([NH3+])CC2)c2ccccc2)CC1 ZINC000669402537 984532631 /nfs/dbraw/zinc/53/26/31/984532631.db2.gz BBEUFJAFOHZTOC-LJQANCHMSA-N 1 3 358.530 2.982 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669483626 984651782 /nfs/dbraw/zinc/65/17/82/984651782.db2.gz FFRDZBJUCZMPCV-UXHICEINSA-N 1 3 356.514 2.750 20 0 FFADHO Cc1nocc1CN1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614045 984818729 /nfs/dbraw/zinc/81/87/29/984818729.db2.gz NDPQTRCZWXFVOQ-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(c4ccccc4)C[C@H](F)C3)CC2)CC1 ZINC000878551374 1015098603 /nfs/dbraw/zinc/09/86/03/1015098603.db2.gz BHBWHKFCCMWEQG-LBZQVFOQSA-N 1 3 373.516 2.731 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088980486 985731663 /nfs/dbraw/zinc/73/16/63/985731663.db2.gz JNFHJTYFWPSZOT-AYBZRNKSSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2cc[nH]c2c1 ZINC001088980486 985731669 /nfs/dbraw/zinc/73/16/69/985731669.db2.gz JNFHJTYFWPSZOT-AYBZRNKSSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(C(F)F)cc1 ZINC001088983775 985752177 /nfs/dbraw/zinc/75/21/77/985752177.db2.gz NWPIDRYLINOYSL-PBHICJAKSA-N 1 3 363.452 2.799 20 0 FFADHO CO[C@@H]1CN(CCCC(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001212405781 986181639 /nfs/dbraw/zinc/18/16/39/986181639.db2.gz BVTZBKQRJCARKC-VAMGGRTRSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1CN(CCCC(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001212405781 986181645 /nfs/dbraw/zinc/18/16/45/986181645.db2.gz BVTZBKQRJCARKC-VAMGGRTRSA-N 1 3 365.562 2.645 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000669872786 986535783 /nfs/dbraw/zinc/53/57/83/986535783.db2.gz RBOBCTGVNADLNN-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO CN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000669872786 986535791 /nfs/dbraw/zinc/53/57/91/986535791.db2.gz RBOBCTGVNADLNN-RBUKOAKNSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC000913948493 987061583 /nfs/dbraw/zinc/06/15/83/987061583.db2.gz JVMYFISQRCSARM-PMACEKPBSA-N 1 3 369.513 2.677 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3cc(F)ccc3C)CC2)CC[N@@H+]1C ZINC001002859283 987551839 /nfs/dbraw/zinc/55/18/39/987551839.db2.gz ORVTUDLNKHMTRJ-VQTJNVASSA-N 1 3 361.505 2.945 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3cc(F)ccc3C)CC2)CC[N@H+]1C ZINC001002859283 987551845 /nfs/dbraw/zinc/55/18/45/987551845.db2.gz ORVTUDLNKHMTRJ-VQTJNVASSA-N 1 3 361.505 2.945 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000672754110 987576239 /nfs/dbraw/zinc/57/62/39/987576239.db2.gz PNEODKMANDAKEU-PMACEKPBSA-N 1 3 360.546 2.881 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212498009 987777774 /nfs/dbraw/zinc/77/77/74/987777774.db2.gz YXSKXASOCHKQNF-PDTMIUJASA-N 1 3 365.562 2.669 20 0 FFADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212498009 987777777 /nfs/dbraw/zinc/77/77/77/987777777.db2.gz YXSKXASOCHKQNF-PDTMIUJASA-N 1 3 365.562 2.669 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]C[C@@H](OC)C2CCCC2)[C@H](C)C1 ZINC001106340147 987984132 /nfs/dbraw/zinc/98/41/32/987984132.db2.gz NKAUHKPAFLJBAU-BHIYHBOVSA-N 1 3 367.578 2.606 20 0 FFADHO COC(=O)COc1ccccc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000922212816 988165537 /nfs/dbraw/zinc/16/55/37/988165537.db2.gz UTCRXXRYKYIQLE-UXHICEINSA-N 1 3 368.477 2.673 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccccc2C)CC1 ZINC000915122180 988233084 /nfs/dbraw/zinc/23/30/84/988233084.db2.gz JRFOBZAPKXIJTL-HXUWFJFHSA-N 1 3 374.598 2.862 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccccc2C)CC1 ZINC000915122180 988233096 /nfs/dbraw/zinc/23/30/96/988233096.db2.gz JRFOBZAPKXIJTL-HXUWFJFHSA-N 1 3 374.598 2.862 20 0 FFADHO CCCc1nc(CNC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)cs1 ZINC001106599540 988465640 /nfs/dbraw/zinc/46/56/40/988465640.db2.gz LCJRNUBIOBARGT-HZPDHXFCSA-N 1 3 366.575 2.622 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(-c4ccccc4)c3)C2)[C@H]1C(C)C ZINC000922392512 988552867 /nfs/dbraw/zinc/55/28/67/988552867.db2.gz MALHVIJKGNOLJO-GXRSIYKFSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(-c4ccccc4)c3)C2)[C@H]1C(C)C ZINC000922392512 988552874 /nfs/dbraw/zinc/55/28/74/988552874.db2.gz MALHVIJKGNOLJO-GXRSIYKFSA-N 1 3 368.525 2.832 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C)cc1 ZINC001106673786 988618056 /nfs/dbraw/zinc/61/80/56/988618056.db2.gz KXBVQWOIFSQXEM-UIFIKXQLSA-N 1 3 359.558 2.816 20 0 FFADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000651992688 1015433909 /nfs/dbraw/zinc/43/39/09/1015433909.db2.gz YDSKEPTXEWKEFE-KRXUUXHPSA-N 1 3 367.537 2.888 20 0 FFADHO C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247950 1015436993 /nfs/dbraw/zinc/43/69/93/1015436993.db2.gz HHYZCVHSXHPCGO-MRXNPFEDSA-N 1 3 358.486 2.531 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@H]2CCCO2)[C@H](C)C1 ZINC001106775387 989011942 /nfs/dbraw/zinc/01/19/42/989011942.db2.gz AVJYDDBJBHJQCF-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@H](C)C1 ZINC001106778285 989032268 /nfs/dbraw/zinc/03/22/68/989032268.db2.gz CJUQZJIPMLAHCO-SJLPKXTDSA-N 1 3 357.498 2.959 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCc1cccs1 ZINC001106798735 989136818 /nfs/dbraw/zinc/13/68/18/989136818.db2.gz STNDYJGFSLRGCX-QZTJIDSGSA-N 1 3 363.571 2.707 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652179502 1015489542 /nfs/dbraw/zinc/48/95/42/1015489542.db2.gz PWFNPCLDRXUWSY-YWZLYKJASA-N 1 3 370.472 2.604 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000652191394 1015494076 /nfs/dbraw/zinc/49/40/76/1015494076.db2.gz SZKAEDOZGBSUNK-OXJNMPFZSA-N 1 3 354.498 2.897 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675103923 990044479 /nfs/dbraw/zinc/04/44/79/990044479.db2.gz IKAQORMWWGXQSK-FUHIMQAGSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000917004457 990090114 /nfs/dbraw/zinc/09/01/14/990090114.db2.gz VTYYNHDYFRAAHM-PXNSSMCTSA-N 1 3 355.482 2.768 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000676341627 990551762 /nfs/dbraw/zinc/55/17/62/990551762.db2.gz BDYQXUKYZZAOQD-NRFANRHFSA-N 1 3 373.541 2.902 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000676341627 990551768 /nfs/dbraw/zinc/55/17/68/990551768.db2.gz BDYQXUKYZZAOQD-NRFANRHFSA-N 1 3 373.541 2.902 20 0 FFADHO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923493450 991186517 /nfs/dbraw/zinc/18/65/17/991186517.db2.gz UXTLJDRNWHFSKX-ZWKOTPCHSA-N 1 3 351.494 2.951 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCOC2CCC2)CC[N@@H+]1C ZINC001089643080 991232529 /nfs/dbraw/zinc/23/25/29/991232529.db2.gz RRVWGJKVJJNKIY-ZIFCJYIRSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCOC2CCC2)CC[N@H+]1C ZINC001089643080 991232538 /nfs/dbraw/zinc/23/25/38/991232538.db2.gz RRVWGJKVJJNKIY-ZIFCJYIRSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000237605357 991286426 /nfs/dbraw/zinc/28/64/26/991286426.db2.gz FKMVHHRNHHHEFE-IEBWSBKVSA-N 1 3 357.542 2.965 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCCC2CCOCC2)[C@H](C)C1 ZINC001106910609 991525047 /nfs/dbraw/zinc/52/50/47/991525047.db2.gz GFKLVWYQHGFWSZ-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC001106910666 991526177 /nfs/dbraw/zinc/52/61/77/991526177.db2.gz IYLMYPASEZISOG-ZACQAIPSSA-N 1 3 359.505 2.838 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC001106910750 991529508 /nfs/dbraw/zinc/52/95/08/991529508.db2.gz NAWWKSDHHSWJEJ-XQBPLPMBSA-N 1 3 371.569 2.817 20 0 FFADHO C[C@](N)(CCCC[NH3+])c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001212339112 991733581 /nfs/dbraw/zinc/73/35/81/991733581.db2.gz UTBIEDQOODGVPY-MOXPCZPISA-N 1 3 356.474 2.501 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079153495 991818987 /nfs/dbraw/zinc/81/89/87/991818987.db2.gz KNRIGVNKZQDLEZ-XUVXKRRUSA-N 1 3 361.505 2.850 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1)[NH+](C)C ZINC001079153693 991819828 /nfs/dbraw/zinc/81/98/28/991819828.db2.gz VTXIDVPNQOCEGL-OTWHNJEPSA-N 1 3 367.484 2.656 20 0 FFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079159256 991862212 /nfs/dbraw/zinc/86/22/12/991862212.db2.gz RVTLENDMPPJDHO-LSTHTHJFSA-N 1 3 361.505 2.993 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC2CC2)C1 ZINC001079198502 991872414 /nfs/dbraw/zinc/87/24/14/991872414.db2.gz DIAIHVVTALLDJQ-UIAACRFSSA-N 1 3 359.489 2.604 20 0 FFADHO Cn1nnnc1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000879917045 1015707010 /nfs/dbraw/zinc/70/70/10/1015707010.db2.gz MNAHWUDCZXASHX-UHFFFAOYSA-N 1 3 354.502 2.576 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)cc1 ZINC001080193016 992811538 /nfs/dbraw/zinc/81/15/38/992811538.db2.gz XOYNHJGTEGSKFB-QIJUGHKUSA-N 1 3 369.553 2.848 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)cc1 ZINC001080193016 992811545 /nfs/dbraw/zinc/81/15/45/992811545.db2.gz XOYNHJGTEGSKFB-QIJUGHKUSA-N 1 3 369.553 2.848 20 0 FFADHO C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254991 992893870 /nfs/dbraw/zinc/89/38/70/992893870.db2.gz LQKGPPRIURCTOY-BZUAXINKSA-N 1 3 357.489 2.733 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001080254991 992893880 /nfs/dbraw/zinc/89/38/80/992893880.db2.gz LQKGPPRIURCTOY-BZUAXINKSA-N 1 3 357.489 2.733 20 0 FFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001080329974 992940214 /nfs/dbraw/zinc/94/02/14/992940214.db2.gz ZLYAKJIHPRMGLB-SQBLYHGDSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001080329974 992940220 /nfs/dbraw/zinc/94/02/20/992940220.db2.gz ZLYAKJIHPRMGLB-SQBLYHGDSA-N 1 3 357.542 2.916 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001107036218 993285047 /nfs/dbraw/zinc/28/50/47/993285047.db2.gz JCTZHMHWFKHEPW-NRSPTQNISA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080934806 993489756 /nfs/dbraw/zinc/48/97/56/993489756.db2.gz BQIDIYDOCYATIO-KBRIMQKVSA-N 1 3 351.441 2.512 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080934806 993489760 /nfs/dbraw/zinc/48/97/60/993489760.db2.gz BQIDIYDOCYATIO-KBRIMQKVSA-N 1 3 351.441 2.512 20 0 FFADHO CCCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001131570637 994409796 /nfs/dbraw/zinc/40/97/96/994409796.db2.gz LDWISRWXHAWCKN-AABGKKOBSA-N 1 3 367.578 2.893 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082507077 994786993 /nfs/dbraw/zinc/78/69/93/994786993.db2.gz AVYYSNYIVXRJJK-NIKGAXFTSA-N 1 3 365.468 2.774 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001082507077 994787006 /nfs/dbraw/zinc/78/70/06/994787006.db2.gz AVYYSNYIVXRJJK-NIKGAXFTSA-N 1 3 365.468 2.774 20 0 FFADHO CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000810556471 994817619 /nfs/dbraw/zinc/81/76/19/994817619.db2.gz NLQLBPKJAICBTK-RXVVDRJESA-N 1 3 361.505 2.932 20 0 FFADHO CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000810556471 994817630 /nfs/dbraw/zinc/81/76/30/994817630.db2.gz NLQLBPKJAICBTK-RXVVDRJESA-N 1 3 361.505 2.932 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082558144 994929224 /nfs/dbraw/zinc/92/92/24/994929224.db2.gz AYCLHYFCKIUAQK-WSTZPKSXSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082558144 994929233 /nfs/dbraw/zinc/92/92/33/994929233.db2.gz AYCLHYFCKIUAQK-WSTZPKSXSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)c(OC)c2)C1)N(C)C ZINC001082589351 995001240 /nfs/dbraw/zinc/00/12/40/995001240.db2.gz XBRBTOPZZLAYAL-KBRIMQKVSA-N 1 3 367.921 2.625 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CCC2CC2)CC[N@@H+]1C ZINC001054042168 1015927472 /nfs/dbraw/zinc/92/74/72/1015927472.db2.gz QLRMXDOCFZHBRP-TYCQWZJGSA-N 1 3 355.526 2.670 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2CCC2CC2)CC[N@H+]1C ZINC001054042168 1015927482 /nfs/dbraw/zinc/92/74/82/1015927482.db2.gz QLRMXDOCFZHBRP-TYCQWZJGSA-N 1 3 355.526 2.670 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082705405 995309829 /nfs/dbraw/zinc/30/98/29/995309829.db2.gz AHDIJXTYNOSQRH-PGSNGQOISA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCc1cc(F)cc(F)c1 ZINC001082705405 995309833 /nfs/dbraw/zinc/30/98/33/995309833.db2.gz AHDIJXTYNOSQRH-PGSNGQOISA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001082740769 995395777 /nfs/dbraw/zinc/39/57/77/995395777.db2.gz GBDPEDPZEWQFHF-LLGFUMIMSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC1CCCC1 ZINC001082743437 995401921 /nfs/dbraw/zinc/40/19/21/995401921.db2.gz ZZKQVALWARFXTQ-MDYRTPRTSA-N 1 3 353.526 2.826 20 0 FFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)c1 ZINC001082822075 995576881 /nfs/dbraw/zinc/57/68/81/995576881.db2.gz IBROYUYHYHLDFC-YLJYHZDGSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cccc(Cl)c1Cl ZINC001082920856 995827559 /nfs/dbraw/zinc/82/75/59/995827559.db2.gz IYSMSWWWIMDKTN-IVMMDQJWSA-N 1 3 370.324 2.882 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cccc(Cl)c1Cl ZINC001082920856 995827564 /nfs/dbraw/zinc/82/75/64/995827564.db2.gz IYSMSWWWIMDKTN-IVMMDQJWSA-N 1 3 370.324 2.882 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096540627 1016024425 /nfs/dbraw/zinc/02/44/25/1016024425.db2.gz XLJOVBNMXHFILN-YHELAOLJSA-N 1 3 355.526 2.983 20 0 FFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096540627 1016024437 /nfs/dbraw/zinc/02/44/37/1016024437.db2.gz XLJOVBNMXHFILN-YHELAOLJSA-N 1 3 355.526 2.983 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCc4ccc(C)cc4)C[C@H]32)CC[N@@H+]1C ZINC001084357403 996484329 /nfs/dbraw/zinc/48/43/29/996484329.db2.gz YWKVCAOSDNYCRC-CIAFKFPVSA-N 1 3 369.553 2.801 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCc4ccc(C)cc4)C[C@H]32)CC[N@H+]1C ZINC001084357403 996484334 /nfs/dbraw/zinc/48/43/34/996484334.db2.gz YWKVCAOSDNYCRC-CIAFKFPVSA-N 1 3 369.553 2.801 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001084405556 996548633 /nfs/dbraw/zinc/54/86/33/996548633.db2.gz SITLMXOQJODWFT-FGTMMUONSA-N 1 3 369.500 2.827 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21 ZINC001084405556 996548635 /nfs/dbraw/zinc/54/86/35/996548635.db2.gz SITLMXOQJODWFT-FGTMMUONSA-N 1 3 369.500 2.827 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3CC[N@H+](CC4CCC4)C[C@H]32)C1 ZINC001084663022 996792135 /nfs/dbraw/zinc/79/21/35/996792135.db2.gz ILXNVZYBQYXKEW-HLIPFELVSA-N 1 3 351.510 2.532 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H]3CC[N@@H+](CC4CCC4)C[C@H]32)C1 ZINC001084663022 996792140 /nfs/dbraw/zinc/79/21/40/996792140.db2.gz ILXNVZYBQYXKEW-HLIPFELVSA-N 1 3 351.510 2.532 20 0 FFADHO CC[C@@H](C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)N(CC)CC ZINC000844163722 997688985 /nfs/dbraw/zinc/68/89/85/997688985.db2.gz VMSQIXXDDYEBNY-MSOLQXFVSA-N 1 3 361.486 2.654 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1 ZINC000844191989 997701788 /nfs/dbraw/zinc/70/17/88/997701788.db2.gz XOWVWWZIXMNIPO-UXPWSPDFSA-N 1 3 356.514 2.688 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001084939057 998232408 /nfs/dbraw/zinc/23/24/08/998232408.db2.gz QIXXQUHUJLAQPE-HKBOAZHASA-N 1 3 355.526 2.982 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001084939057 998232421 /nfs/dbraw/zinc/23/24/21/998232421.db2.gz QIXXQUHUJLAQPE-HKBOAZHASA-N 1 3 355.526 2.982 20 0 FFADHO C[N@@H+]1CCC[C@@H](CC(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001273254882 998713722 /nfs/dbraw/zinc/71/37/22/998713722.db2.gz NOYSIPHRYVFKJK-HRCADAONSA-N 1 3 361.452 2.594 20 0 FFADHO C[N@H+]1CCC[C@@H](CC(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)C1 ZINC001273254882 998713726 /nfs/dbraw/zinc/71/37/26/998713726.db2.gz NOYSIPHRYVFKJK-HRCADAONSA-N 1 3 361.452 2.594 20 0 FFADHO CC(C)[NH+]1CCC(CN(C)Cc2cc(Br)cnc2N)CC1 ZINC001139450968 1016244429 /nfs/dbraw/zinc/24/44/29/1016244429.db2.gz VWYFZUJXEDQPBQ-UHFFFAOYSA-N 1 3 355.324 2.979 20 0 FFADHO CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000903879704 1016283302 /nfs/dbraw/zinc/28/33/02/1016283302.db2.gz HRRAYRGDNQYVPW-SJLPKXTDSA-N 1 3 357.502 2.664 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1C ZINC001085217764 999185494 /nfs/dbraw/zinc/18/54/94/999185494.db2.gz PKIKAJUZACYVOY-ZACQAIPSSA-N 1 3 364.559 2.843 20 0 FFADHO CCc1onc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@H]1C ZINC001085332182 999377629 /nfs/dbraw/zinc/37/76/29/999377629.db2.gz NKMUTONCCSFOLZ-ZTFGCOKTSA-N 1 3 362.518 2.547 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC001085352357 999406047 /nfs/dbraw/zinc/40/60/47/999406047.db2.gz CUCLOFPJJWELGX-VAMGGRTRSA-N 1 3 358.530 2.862 20 0 FFADHO CCCC[N@H+](C)CCCN[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168893567 1000003927 /nfs/dbraw/zinc/00/39/27/1000003927.db2.gz RGDYAROEZAKABC-IBGZPJMESA-N 1 3 361.530 2.898 20 0 FFADHO CCCC[N@@H+](C)CCCN[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168893567 1000003929 /nfs/dbraw/zinc/00/39/29/1000003929.db2.gz RGDYAROEZAKABC-IBGZPJMESA-N 1 3 361.530 2.898 20 0 FFADHO COc1ccc(CN2CC[C@@H]([NH+]3CCC(N(C)C4CC4)CC3)CC2=O)cc1 ZINC001168950656 1000011434 /nfs/dbraw/zinc/01/14/34/1000011434.db2.gz YZLJKBOEJYXJAA-HXUWFJFHSA-N 1 3 371.525 2.745 20 0 FFADHO C[C@H](NCCOCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001169122854 1000022985 /nfs/dbraw/zinc/02/29/85/1000022985.db2.gz DYWCNSPKGJDALF-IRXDYDNUSA-N 1 3 369.550 2.770 20 0 FFADHO C[C@H](NCCOCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169122854 1000022987 /nfs/dbraw/zinc/02/29/87/1000022987.db2.gz DYWCNSPKGJDALF-IRXDYDNUSA-N 1 3 369.550 2.770 20 0 FFADHO C[C@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC001169122854 1000022988 /nfs/dbraw/zinc/02/29/88/1000022988.db2.gz DYWCNSPKGJDALF-IRXDYDNUSA-N 1 3 369.550 2.770 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)CN(c1ccccc1)C(=O)CO3)C2 ZINC001169134652 1000024108 /nfs/dbraw/zinc/02/41/08/1000024108.db2.gz WERZXRCBCFVGRK-ACDBMABISA-N 1 3 369.509 2.510 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)CN(c1ccccc1)C(=O)CO3)C2 ZINC001169134652 1000024110 /nfs/dbraw/zinc/02/41/10/1000024110.db2.gz WERZXRCBCFVGRK-ACDBMABISA-N 1 3 369.509 2.510 20 0 FFADHO COC(=O)c1ccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC001169108528 1000025779 /nfs/dbraw/zinc/02/57/79/1000025779.db2.gz AQUAALVHOGNALD-MZADTFQBSA-N 1 3 371.525 2.652 20 0 FFADHO CCOC(=O)N1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC001169665342 1000067206 /nfs/dbraw/zinc/06/72/06/1000067206.db2.gz XUXBHMCNGTWBIO-HXUWFJFHSA-N 1 3 374.529 2.894 20 0 FFADHO Cc1ccc(N2CCC[C@H](N3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)C2=O)cc1 ZINC000846224978 1000235052 /nfs/dbraw/zinc/23/50/52/1000235052.db2.gz HAJGOQMRWZGDNM-IZZBFERCSA-N 1 3 371.525 2.709 20 0 FFADHO COc1ccc2c(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cc(=O)oc2c1 ZINC000846226997 1000236347 /nfs/dbraw/zinc/23/63/47/1000236347.db2.gz GCPYPZVBULJBRG-XFQXTVEOSA-N 1 3 372.465 2.662 20 0 FFADHO CC[C@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2)OC ZINC001109560746 1000637763 /nfs/dbraw/zinc/63/77/63/1000637763.db2.gz PGJBWMRHNPNTEL-YRXWBPOGSA-N 1 3 365.562 2.645 20 0 FFADHO CCc1ccccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650084 1000780355 /nfs/dbraw/zinc/78/03/55/1000780355.db2.gz REDQCGADSMTJNE-HKBOAZHASA-N 1 3 369.553 2.855 20 0 FFADHO C[C@H](c1ccc2c(c1)CCC2)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673482 1000829960 /nfs/dbraw/zinc/82/99/60/1000829960.db2.gz LJZBCRATXXVLAY-IDCXYZFESA-N 1 3 355.526 2.910 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC001000705801 1016447794 /nfs/dbraw/zinc/44/77/94/1016447794.db2.gz SFDLKPMBLCYORU-LEWJYISDSA-N 1 3 371.525 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2=CCN(CCOc3ccccc3)CC2)CC[N@H+]1C ZINC001000705801 1016447817 /nfs/dbraw/zinc/44/78/17/1016447817.db2.gz SFDLKPMBLCYORU-LEWJYISDSA-N 1 3 371.525 2.544 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091667793 1000996983 /nfs/dbraw/zinc/99/69/83/1000996983.db2.gz ZPVFXQWWXSCFTD-VYDXJSESSA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091667793 1000996988 /nfs/dbraw/zinc/99/69/88/1000996988.db2.gz ZPVFXQWWXSCFTD-VYDXJSESSA-N 1 3 361.452 2.592 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091780298 1001903853 /nfs/dbraw/zinc/90/38/53/1001903853.db2.gz DWJHQCILEHKCBC-IXATYNRUSA-N 1 3 355.526 2.820 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091780298 1001903859 /nfs/dbraw/zinc/90/38/59/1001903859.db2.gz DWJHQCILEHKCBC-IXATYNRUSA-N 1 3 355.526 2.820 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCCc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092013607 1002287219 /nfs/dbraw/zinc/28/72/19/1002287219.db2.gz VCJDPJZSMIUUAT-WPYKKVEZSA-N 1 3 369.553 2.741 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCCc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092013607 1002287230 /nfs/dbraw/zinc/28/72/30/1002287230.db2.gz VCJDPJZSMIUUAT-WPYKKVEZSA-N 1 3 369.553 2.741 20 0 FFADHO CCc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@]3(C)C2)cc1 ZINC001092021396 1002299185 /nfs/dbraw/zinc/29/91/85/1002299185.db2.gz BSDBRNNTFDNKAX-URVUXULASA-N 1 3 357.542 2.870 20 0 FFADHO CCc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](CC)N(C)C)C[C@]3(C)C2)cc1 ZINC001092021396 1002299190 /nfs/dbraw/zinc/29/91/90/1002299190.db2.gz BSDBRNNTFDNKAX-URVUXULASA-N 1 3 357.542 2.870 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C[C@H]1C(F)(F)F ZINC001184388499 1002585305 /nfs/dbraw/zinc/58/53/05/1002585305.db2.gz QUHZMGFHMTUAFR-JXEZDRHFSA-N 1 3 362.436 2.827 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccnc3C)C[C@@]2(C)C1 ZINC001092301351 1002631035 /nfs/dbraw/zinc/63/10/35/1002631035.db2.gz FEOZWTTUIGAGAO-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccnc3C)C[C@@]2(C)C1 ZINC001092301351 1002631038 /nfs/dbraw/zinc/63/10/38/1002631038.db2.gz FEOZWTTUIGAGAO-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001186355018 1003287267 /nfs/dbraw/zinc/28/72/67/1003287267.db2.gz UMFWHPSYWYDUTB-PMACEKPBSA-N 1 3 373.541 2.850 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001186355018 1003287276 /nfs/dbraw/zinc/28/72/76/1003287276.db2.gz UMFWHPSYWYDUTB-PMACEKPBSA-N 1 3 373.541 2.850 20 0 FFADHO COCCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCN(C)CC1 ZINC001186924100 1003491309 /nfs/dbraw/zinc/49/13/09/1003491309.db2.gz YZQLNUWKGSEYEP-UHFFFAOYSA-N 1 3 373.541 2.855 20 0 FFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1COc2ccccc2O1 ZINC000678123472 1016799974 /nfs/dbraw/zinc/79/99/74/1016799974.db2.gz XPGYDVYEHJQHIE-LJQANCHMSA-N 1 3 356.466 2.899 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O ZINC001197659213 1004303951 /nfs/dbraw/zinc/30/39/51/1004303951.db2.gz TYAXTZKDBVGAPD-GUDVDZBRSA-N 1 3 367.578 2.629 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1O ZINC001197659213 1004303959 /nfs/dbraw/zinc/30/39/59/1004303959.db2.gz TYAXTZKDBVGAPD-GUDVDZBRSA-N 1 3 367.578 2.629 20 0 FFADHO Nc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(F)c1 ZINC001170524259 1004589938 /nfs/dbraw/zinc/58/99/38/1004589938.db2.gz IORNMPLHZQTQBU-UHFFFAOYSA-N 1 3 353.445 2.712 20 0 FFADHO COc1ncnc(C)c1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528947 1004642239 /nfs/dbraw/zinc/64/22/39/1004642239.db2.gz YAQQDGVXTAFBBP-UHFFFAOYSA-N 1 3 365.481 2.703 20 0 FFADHO CCc1nocc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001488954179 1005385314 /nfs/dbraw/zinc/38/53/14/1005385314.db2.gz FTPTWYQJODGUTK-DOTOQJQBSA-N 1 3 364.534 2.589 20 0 FFADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1)CC(C)(C)C ZINC001488954393 1005385671 /nfs/dbraw/zinc/38/56/71/1005385671.db2.gz ILTSGPAELXPKNK-GOEBONIOSA-N 1 3 359.505 2.884 20 0 FFADHO CCO[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001489008797 1005393763 /nfs/dbraw/zinc/39/37/63/1005393763.db2.gz LTOOEOHHQXXFSZ-RTBURBONSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001489050583 1005406740 /nfs/dbraw/zinc/40/67/40/1005406740.db2.gz VAAAGKOCBUULGT-XLIONFOSSA-N 1 3 354.498 2.802 20 0 FFADHO CC(C)COCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001489283875 1005448125 /nfs/dbraw/zinc/44/81/25/1005448125.db2.gz MYOSGXMACLMUEQ-MOPGFXCFSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)C(=O)NCC[NH+](C)C ZINC000850454073 1005816544 /nfs/dbraw/zinc/81/65/44/1005816544.db2.gz SFKRCQVOGPEERR-LPHOPBHVSA-N 1 3 361.530 2.755 20 0 FFADHO COc1ccc(CN2CC[C@H](N3CCCC4(CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000852006980 1005932376 /nfs/dbraw/zinc/93/23/76/1005932376.db2.gz HMGLUQXCOAGTAJ-FQEVSTJZSA-N 1 3 371.525 2.604 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC001086712239 1005967069 /nfs/dbraw/zinc/96/70/69/1005967069.db2.gz WOQDFUJXQBNLBY-BBWFWOEESA-N 1 3 364.559 2.700 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC001086712239 1005967074 /nfs/dbraw/zinc/96/70/74/1005967074.db2.gz WOQDFUJXQBNLBY-BBWFWOEESA-N 1 3 364.559 2.700 20 0 FFADHO CCN1CCN(CCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000882948607 1006571795 /nfs/dbraw/zinc/57/17/95/1006571795.db2.gz CPKGGNLVEZDYIL-UHFFFAOYSA-N 1 3 358.530 2.639 20 0 FFADHO CC(C)CN1CCC([NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000131209026 1006700794 /nfs/dbraw/zinc/70/07/94/1006700794.db2.gz UYWXMAJBNXMTPK-SIKLNZKXSA-N 1 3 359.558 2.986 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]21 ZINC001189118193 1006893983 /nfs/dbraw/zinc/89/39/83/1006893983.db2.gz RPRCVVMDAZYNCD-OWCLPIDISA-N 1 3 361.452 2.736 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]21 ZINC001189118193 1006893999 /nfs/dbraw/zinc/89/39/99/1006893999.db2.gz RPRCVVMDAZYNCD-OWCLPIDISA-N 1 3 361.452 2.736 20 0 FFADHO CCc1cnc(CN[C@@H]2CC[C@H](CNC(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001086746530 1007083123 /nfs/dbraw/zinc/08/31/23/1007083123.db2.gz CGCVECAYXBXXRM-GOEBONIOSA-N 1 3 367.453 2.573 20 0 FFADHO CCc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001170871742 1007633464 /nfs/dbraw/zinc/63/34/64/1007633464.db2.gz SAWLHTXARAUHAJ-BFYDXBDKSA-N 1 3 366.575 2.810 20 0 FFADHO CCc1nc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001170871742 1007633469 /nfs/dbraw/zinc/63/34/69/1007633469.db2.gz SAWLHTXARAUHAJ-BFYDXBDKSA-N 1 3 366.575 2.810 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817792385 1007771996 /nfs/dbraw/zinc/77/19/96/1007771996.db2.gz WEDQLTQMYAPVDT-UHFFFAOYSA-N 1 3 360.546 2.675 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000885860043 1007804189 /nfs/dbraw/zinc/80/41/89/1007804189.db2.gz FQDGQOLSIFTOEG-NRFANRHFSA-N 1 3 371.525 2.656 20 0 FFADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cc2)C1=O ZINC000817929083 1007809243 /nfs/dbraw/zinc/80/92/43/1007809243.db2.gz IUNNWDTXNWVIDQ-WAOWUJCRSA-N 1 3 370.497 2.661 20 0 FFADHO COc1ncc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001206395033 1032267738 /nfs/dbraw/zinc/26/77/38/1032267738.db2.gz PSEGBXVSGVHDRJ-UHFFFAOYSA-N 1 3 367.497 2.757 20 0 FFADHO COc1ncc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001206395033 1032267745 /nfs/dbraw/zinc/26/77/45/1032267745.db2.gz PSEGBXVSGVHDRJ-UHFFFAOYSA-N 1 3 367.497 2.757 20 0 FFADHO CCCN(C(=O)CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000823499229 1009095580 /nfs/dbraw/zinc/09/55/80/1009095580.db2.gz GPPGZCHVYGKTPX-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO COc1nsc(CNCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC001179129600 1009268116 /nfs/dbraw/zinc/26/81/16/1009268116.db2.gz UWQUEBYXFQODPZ-UHFFFAOYSA-N 1 3 359.923 2.786 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001092909744 1009301200 /nfs/dbraw/zinc/30/12/00/1009301200.db2.gz BHQISLJAIJPYDE-VUHPKUFZSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001092909744 1009301219 /nfs/dbraw/zinc/30/12/19/1009301219.db2.gz BHQISLJAIJPYDE-VUHPKUFZSA-N 1 3 361.505 2.740 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000887617193 1009391134 /nfs/dbraw/zinc/39/11/34/1009391134.db2.gz QJHKTRWHILYBKI-FQEVSTJZSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935043 1009478625 /nfs/dbraw/zinc/47/86/25/1009478625.db2.gz OWELRNUCBDEIET-CRAIPNDOSA-N 1 3 363.933 2.866 20 0 FFADHO CCN(CC)CC(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001180391308 1009659094 /nfs/dbraw/zinc/65/90/94/1009659094.db2.gz OJMGKXVAHWLUIL-UHFFFAOYSA-N 1 3 357.420 2.824 20 0 FFADHO COc1cccc(CN(C(=O)[C@@H](C)N2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001180586351 1009761875 /nfs/dbraw/zinc/76/18/75/1009761875.db2.gz QAQUYVQYTUMWHQ-BHIYHBOVSA-N 1 3 359.514 2.778 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nn(C)c4ccccc43)CC2)CC1 ZINC000889493716 1009994321 /nfs/dbraw/zinc/99/43/21/1009994321.db2.gz JJJLWIBENWBTNQ-UHFFFAOYSA-N 1 3 369.513 2.708 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000889769231 1010104862 /nfs/dbraw/zinc/10/48/62/1010104862.db2.gz KGWBVOXHZWABSA-SFTDATJTSA-N 1 3 373.541 2.590 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000889769231 1010104870 /nfs/dbraw/zinc/10/48/70/1010104870.db2.gz KGWBVOXHZWABSA-SFTDATJTSA-N 1 3 373.541 2.590 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C ZINC001093226165 1010171227 /nfs/dbraw/zinc/17/12/27/1010171227.db2.gz WTQKESPOGHMCHD-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C ZINC001093226165 1010171236 /nfs/dbraw/zinc/17/12/36/1010171236.db2.gz WTQKESPOGHMCHD-POAQFYNOSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001182002579 1010340122 /nfs/dbraw/zinc/34/01/22/1010340122.db2.gz WFRJUFZHZCZTHT-OEPVSBQMSA-N 1 3 363.486 2.523 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001095404797 1010452267 /nfs/dbraw/zinc/45/22/67/1010452267.db2.gz AHFYIWJHAVQWRC-BVBHFADKSA-N 1 3 361.555 2.885 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001095404797 1010452270 /nfs/dbraw/zinc/45/22/70/1010452270.db2.gz AHFYIWJHAVQWRC-BVBHFADKSA-N 1 3 361.555 2.885 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)cs1 ZINC001093765698 1010536793 /nfs/dbraw/zinc/53/67/93/1010536793.db2.gz VVUDPSHVPULQPS-KYJSFNMBSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)cs1 ZINC001093765698 1010536805 /nfs/dbraw/zinc/53/68/05/1010536805.db2.gz VVUDPSHVPULQPS-KYJSFNMBSA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c(C)c1 ZINC001093820350 1010592528 /nfs/dbraw/zinc/59/25/28/1010592528.db2.gz ILMFSMKEWWKIKR-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001093820363 1010592768 /nfs/dbraw/zinc/59/27/68/1010592768.db2.gz JHIWMORJGNLGDP-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001093825336 1010599428 /nfs/dbraw/zinc/59/94/28/1010599428.db2.gz FBJSPYMJZODQNG-SJLPKXTDSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)c(C)s1 ZINC001093839166 1010609537 /nfs/dbraw/zinc/60/95/37/1010609537.db2.gz AUTWRYHFTHTNDK-QBIMZIAESA-N 1 3 366.575 2.530 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccc(F)cc1F ZINC001094041099 1010803876 /nfs/dbraw/zinc/80/38/76/1010803876.db2.gz VNSMBURXQUGOPM-HLLBOEOZSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1F ZINC001094042164 1010805204 /nfs/dbraw/zinc/80/52/04/1010805204.db2.gz MEFBCSSEDIFDDI-KVSKMBFKSA-N 1 3 361.505 2.660 20 0 FFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C)c1c(F)cccc1F ZINC001094221205 1010942722 /nfs/dbraw/zinc/94/27/22/1010942722.db2.gz XIPLJEQXWSIRKC-BZUAXINKSA-N 1 3 365.468 2.806 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3C3CCC3)CC2)CC1 ZINC000645229015 1011392465 /nfs/dbraw/zinc/39/24/65/1011392465.db2.gz FHRCPBKHQIXWMJ-HXUWFJFHSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)(C)CN1CCC([NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001171696382 1011426039 /nfs/dbraw/zinc/42/60/39/1011426039.db2.gz DCLPWKVYWORZML-OAHLLOKOSA-N 1 3 353.507 2.623 20 0 FFADHO CCC[NH+](CCC)CC(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001274470825 1011458518 /nfs/dbraw/zinc/45/85/18/1011458518.db2.gz ARWVGYJLSRQOSD-NRFANRHFSA-N 1 3 360.546 2.951 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000645473796 1011496529 /nfs/dbraw/zinc/49/65/29/1011496529.db2.gz YXZWTCAGQJXBAR-JOCHJYFZSA-N 1 3 363.505 2.916 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC2)c1 ZINC000645489941 1011502432 /nfs/dbraw/zinc/50/24/32/1011502432.db2.gz XGVRLVHWXRICMJ-FPOVZHCZSA-N 1 3 374.573 2.633 20 0 FFADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@H]2C1 ZINC001171907747 1011529646 /nfs/dbraw/zinc/52/96/46/1011529646.db2.gz YOQQYFPDWBLNSE-NJYVYQBISA-N 1 3 355.526 2.955 20 0 FFADHO Cn1cc([C@@H]2COC3(C2)CC[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)N4C)CC3)cn1 ZINC001172119700 1011654331 /nfs/dbraw/zinc/65/43/31/1011654331.db2.gz ZETLEYPDZNWERH-FFGOWVMKSA-N 1 3 358.530 2.774 20 0 FFADHO COCCC[NH+]1CCC(N[C@@H]2CSc3c(cccc3OC)C2)CC1 ZINC001172249209 1011719521 /nfs/dbraw/zinc/71/95/21/1011719521.db2.gz ILMSHDZLVFEXIK-KRWDZBQOSA-N 1 3 350.528 2.803 20 0 FFADHO COCCC[NH+]1CCC(N2CC[C@@H](C(=O)OC)[C@@H]2c2ccccc2)CC1 ZINC001172251180 1011724042 /nfs/dbraw/zinc/72/40/42/1011724042.db2.gz LXKVHGAIADDODL-UXHICEINSA-N 1 3 360.498 2.724 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CCN(C)C)C3=O)o1 ZINC001275193040 1012059365 /nfs/dbraw/zinc/05/93/65/1012059365.db2.gz BGGPBXWRLBVAFJ-OAQYLSRUSA-N 1 3 353.466 2.640 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CCN(C)C)C3=O)o1 ZINC001275193040 1012059381 /nfs/dbraw/zinc/05/93/81/1012059381.db2.gz BGGPBXWRLBVAFJ-OAQYLSRUSA-N 1 3 353.466 2.640 20 0 FFADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000646604201 1012063301 /nfs/dbraw/zinc/06/33/01/1012063301.db2.gz YPBSHYQQRAFEBE-QUCCMNQESA-N 1 3 367.493 2.723 20 0 FFADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000646604201 1012063329 /nfs/dbraw/zinc/06/33/29/1012063329.db2.gz YPBSHYQQRAFEBE-QUCCMNQESA-N 1 3 367.493 2.723 20 0 FFADHO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CCCN2CCCCC2)N1Cc1ccncc1 ZINC001275343546 1012340163 /nfs/dbraw/zinc/34/01/63/1012340163.db2.gz PMLXGOIYGHGUKH-WOJBJXKFSA-N 1 3 356.514 2.523 20 0 FFADHO O=C1CC[C@@H]2[C@@H](CC[N@H+]2CCCN2CCCCC2)N1Cc1ccncc1 ZINC001275343546 1012340174 /nfs/dbraw/zinc/34/01/74/1012340174.db2.gz PMLXGOIYGHGUKH-WOJBJXKFSA-N 1 3 356.514 2.523 20 0 FFADHO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+](CCCN3CCCCC3)CC2)C1=O ZINC001275344061 1012342934 /nfs/dbraw/zinc/34/29/34/1012342934.db2.gz WWTCRTHEMGYWTG-RXVVDRJESA-N 1 3 363.546 2.545 20 0 FFADHO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+](CCCN3CCCCC3)CC2)C1=O ZINC001275344061 1012342944 /nfs/dbraw/zinc/34/29/44/1012342944.db2.gz WWTCRTHEMGYWTG-RXVVDRJESA-N 1 3 363.546 2.545 20 0 FFADHO CN1CCN(c2cccc(Nc3cccc(N4CC[NH+](C)CC4)c3)c2)CC1 ZINC001212713764 1012353049 /nfs/dbraw/zinc/35/30/49/1012353049.db2.gz IFIINEZULMRMJZ-UHFFFAOYSA-N 1 3 365.525 2.934 20 0 FFADHO C[C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)N1CCC(Cc2ccccc2)CC1 ZINC000647055363 1012357690 /nfs/dbraw/zinc/35/76/90/1012357690.db2.gz WSDOLZCRUTUABX-XLIONFOSSA-N 1 3 355.526 2.588 20 0 FFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)o1 ZINC000647184645 1012399826 /nfs/dbraw/zinc/39/98/26/1012399826.db2.gz VQJAOYQKTWBCDX-IAGOWNOFSA-N 1 3 360.502 2.968 20 0 FFADHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000647344552 1012445560 /nfs/dbraw/zinc/44/55/60/1012445560.db2.gz UCHMFUYVQIQVTH-BSIFCXSSSA-N 1 3 362.481 2.658 20 0 FFADHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000647344552 1012445568 /nfs/dbraw/zinc/44/55/68/1012445568.db2.gz UCHMFUYVQIQVTH-BSIFCXSSSA-N 1 3 362.481 2.658 20 0 FFADHO CC[NH+]1CCC(NC[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)CC1 ZINC000647350846 1012447367 /nfs/dbraw/zinc/44/73/67/1012447367.db2.gz BDHFGYWMXXMJJC-OAHLLOKOSA-N 1 3 371.447 2.684 20 0 FFADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000647508493 1012521478 /nfs/dbraw/zinc/52/14/78/1012521478.db2.gz OTQFIIORUOGXLN-JKSUJKDBSA-N 1 3 372.538 2.816 20 0 FFADHO COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001173437428 1012557477 /nfs/dbraw/zinc/55/74/77/1012557477.db2.gz MCMYACLUSGAABR-GOSISDBHSA-N 1 3 361.530 2.646 20 0 FFADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977179 1012655024 /nfs/dbraw/zinc/65/50/24/1012655024.db2.gz YWHSATDZIZHOBG-JQHSSLGASA-N 1 3 372.513 2.684 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000647977529 1012655343 /nfs/dbraw/zinc/65/53/43/1012655343.db2.gz DBNHWKKRKUBICD-MOPGFXCFSA-N 1 3 365.562 2.554 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3cccc4ccccc43)C2)C1=O ZINC001275604659 1012681798 /nfs/dbraw/zinc/68/17/98/1012681798.db2.gz KKTSUMMWOFDVAN-JOCHJYFZSA-N 1 3 351.494 2.826 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1=O ZINC001275604659 1012681811 /nfs/dbraw/zinc/68/18/11/1012681811.db2.gz KKTSUMMWOFDVAN-JOCHJYFZSA-N 1 3 351.494 2.826 20 0 FFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3cc(F)ccc3F)CC2)C1=O ZINC001275661655 1012789830 /nfs/dbraw/zinc/78/98/30/1012789830.db2.gz FJENZNGELJWVBS-HXUWFJFHSA-N 1 3 365.468 2.731 20 0 FFADHO [NH3+]CCN1CCN([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173700632 1012904164 /nfs/dbraw/zinc/90/41/64/1012904164.db2.gz LNYRHUWGAVRTRA-QFIPXVFZSA-N 1 3 365.521 2.699 20 0 FFADHO c1nnn([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)C2)n1 ZINC001173733071 1012924902 /nfs/dbraw/zinc/92/49/02/1012924902.db2.gz HZYXYEMXVSOAAP-QSUVIHHLSA-N 1 3 366.513 2.657 20 0 FFADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001275770384 1012984179 /nfs/dbraw/zinc/98/41/79/1012984179.db2.gz IGUPWMCIAUNQJR-WIYYLYMNSA-N 1 3 367.578 2.582 20 0 FFADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001275770384 1012984198 /nfs/dbraw/zinc/98/41/98/1012984198.db2.gz IGUPWMCIAUNQJR-WIYYLYMNSA-N 1 3 367.578 2.582 20 0 FFADHO Cc1ccc(CCC[N@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)o1 ZINC001275821319 1013040209 /nfs/dbraw/zinc/04/02/09/1013040209.db2.gz DHUODTWFXMOLQG-NRFANRHFSA-N 1 3 361.530 2.787 20 0 FFADHO Cc1ccc(CCC[N@@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)o1 ZINC001275821319 1013040224 /nfs/dbraw/zinc/04/02/24/1013040224.db2.gz DHUODTWFXMOLQG-NRFANRHFSA-N 1 3 361.530 2.787 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21)[NH+]1CCCC1 ZINC001222048531 1032697004 /nfs/dbraw/zinc/69/70/04/1032697004.db2.gz NKIIEGOICUAFPO-QRVBRYPASA-N 1 3 353.526 2.779 20 0 FFADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000924877956 1017529511 /nfs/dbraw/zinc/52/95/11/1017529511.db2.gz VAEPJWGMSZHZGT-UFRUDQCGSA-N 1 3 350.466 2.764 20 0 FFADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000924877956 1017529523 /nfs/dbraw/zinc/52/95/23/1017529523.db2.gz VAEPJWGMSZHZGT-UFRUDQCGSA-N 1 3 350.466 2.764 20 0 FFADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-n2cnnn2)c1 ZINC000679722529 1017594262 /nfs/dbraw/zinc/59/42/62/1017594262.db2.gz DJKWGMAZZITNES-BQFCYCMXSA-N 1 3 354.502 2.966 20 0 FFADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(-n2cnnn2)c1 ZINC000679722529 1017594267 /nfs/dbraw/zinc/59/42/67/1017594267.db2.gz DJKWGMAZZITNES-BQFCYCMXSA-N 1 3 354.502 2.966 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001097580142 1017660075 /nfs/dbraw/zinc/66/00/75/1017660075.db2.gz SPWCUCYKXDFLSJ-BDXSIMOUSA-N 1 3 367.484 2.628 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1)[C@H](C1CC1)N1CCCC1 ZINC001097580142 1017660082 /nfs/dbraw/zinc/66/00/82/1017660082.db2.gz SPWCUCYKXDFLSJ-BDXSIMOUSA-N 1 3 367.484 2.628 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1)[C@H](C1CC1)N1CCCC1 ZINC001097580142 1017660092 /nfs/dbraw/zinc/66/00/92/1017660092.db2.gz SPWCUCYKXDFLSJ-BDXSIMOUSA-N 1 3 367.484 2.628 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000925786166 1017849097 /nfs/dbraw/zinc/84/90/97/1017849097.db2.gz WKJRJJPCNBXZNT-GDBMZVCRSA-N 1 3 364.440 2.895 20 0 FFADHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc2c(c1)OCO2 ZINC000925810036 1017855531 /nfs/dbraw/zinc/85/55/31/1017855531.db2.gz UUFLEMKLDALSMB-INIZCTEOSA-N 1 3 353.466 2.671 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901251438 1018868497 /nfs/dbraw/zinc/86/84/97/1018868497.db2.gz IWARKNWORHQJTP-UYAOXDASSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901251438 1018868510 /nfs/dbraw/zinc/86/85/10/1018868510.db2.gz IWARKNWORHQJTP-UYAOXDASSA-N 1 3 357.498 2.599 20 0 FFADHO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCC(C)CC2)C3)c1 ZINC001096234087 1019512780 /nfs/dbraw/zinc/51/27/80/1019512780.db2.gz LFZMUSKKUOVLLH-GIVPXCGWSA-N 1 3 371.525 2.649 20 0 FFADHO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCC(C)CC2)C3)c1 ZINC001096234087 1019512789 /nfs/dbraw/zinc/51/27/89/1019512789.db2.gz LFZMUSKKUOVLLH-GIVPXCGWSA-N 1 3 371.525 2.649 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1C ZINC001095963122 1019614553 /nfs/dbraw/zinc/61/45/53/1019614553.db2.gz VXBIEPWXJUWBMO-HKBOAZHASA-N 1 3 355.526 2.867 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000930137414 1019887653 /nfs/dbraw/zinc/88/76/53/1019887653.db2.gz SYCQLJAEMDSVRW-XLIONFOSSA-N 1 3 354.498 2.799 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000930137414 1019887672 /nfs/dbraw/zinc/88/76/72/1019887672.db2.gz SYCQLJAEMDSVRW-XLIONFOSSA-N 1 3 354.498 2.799 20 0 FFADHO CCOc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1OCC ZINC001217757540 1032866294 /nfs/dbraw/zinc/86/62/94/1032866294.db2.gz NHYXTWDSGGIHAK-UHFFFAOYSA-N 1 3 360.458 2.623 20 0 FFADHO OCCOC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCC(C(F)F)CC1 ZINC000902429852 1020196248 /nfs/dbraw/zinc/19/62/48/1020196248.db2.gz AHDSJGCPIDHZGT-NRGCRIOASA-N 1 3 374.516 2.947 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)c(C)c1 ZINC001096356136 1020207624 /nfs/dbraw/zinc/20/76/24/1020207624.db2.gz MLHRQZKRNWMWCS-AABGKKOBSA-N 1 3 353.510 2.621 20 0 FFADHO CCc1ccccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356822 1020208611 /nfs/dbraw/zinc/20/86/11/1020208611.db2.gz WQJXSJKPMZNNPO-HKBOAZHASA-N 1 3 367.537 2.609 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2CC(F)(F)C2)CC1 ZINC001098137765 1020247127 /nfs/dbraw/zinc/24/71/27/1020247127.db2.gz WEKRYLQZBUXDCX-KURKYZTESA-N 1 3 369.500 2.874 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(Cc4cccnc4)C3)C2)CC[N@@H+]1C ZINC001045939206 1020352350 /nfs/dbraw/zinc/35/23/50/1020352350.db2.gz XSXATFVSWLJVPG-SYYKKAFVSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@]3(CCN(Cc4cccnc4)C3)C2)CC[N@H+]1C ZINC001045939206 1020352362 /nfs/dbraw/zinc/35/23/62/1020352362.db2.gz XSXATFVSWLJVPG-SYYKKAFVSA-N 1 3 370.541 2.626 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000749825552 1021046014 /nfs/dbraw/zinc/04/60/14/1021046014.db2.gz HASJKPPGTCBUFU-WOJBJXKFSA-N 1 3 374.598 2.988 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CC2)C3)C1 ZINC001099029660 1021632095 /nfs/dbraw/zinc/63/20/95/1021632095.db2.gz HXEPHVFOJQKDPI-VDGAXYAQSA-N 1 3 351.510 2.580 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CC2)C3)C1 ZINC001099029660 1021632098 /nfs/dbraw/zinc/63/20/98/1021632098.db2.gz HXEPHVFOJQKDPI-VDGAXYAQSA-N 1 3 351.510 2.580 20 0 FFADHO CN1CCC(Oc2ccnc(-c3cnn(CC[NH+]4CCCC4)c3)c2)CC1 ZINC001222470620 1032992300 /nfs/dbraw/zinc/99/23/00/1032992300.db2.gz QQACIDBNNGYFCG-UHFFFAOYSA-N 1 3 355.486 2.514 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC001117442763 1021699078 /nfs/dbraw/zinc/69/90/78/1021699078.db2.gz AQKZVHCGXCZGTO-YZGWKJHDSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC001117442763 1021699085 /nfs/dbraw/zinc/69/90/85/1021699085.db2.gz AQKZVHCGXCZGTO-YZGWKJHDSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122620 1021865314 /nfs/dbraw/zinc/86/53/14/1021865314.db2.gz CLXLMGKANVSRMH-ZJBJCVSYSA-N 1 3 371.500 2.953 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001014502645 1021877913 /nfs/dbraw/zinc/87/79/13/1021877913.db2.gz PEQDMEHYICGOIX-WSTZPKSXSA-N 1 3 354.498 2.589 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001014502645 1021877919 /nfs/dbraw/zinc/87/79/19/1021877919.db2.gz PEQDMEHYICGOIX-WSTZPKSXSA-N 1 3 354.498 2.589 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[NH+]1CCCC1 ZINC001111467762 1021910138 /nfs/dbraw/zinc/91/01/38/1021910138.db2.gz VANUZHWQADAIKH-ZJPYXAASSA-N 1 3 369.500 2.874 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](CCc3cccs3)C2)C1=O ZINC001276368612 1022015723 /nfs/dbraw/zinc/01/57/23/1022015723.db2.gz AGTGUJRQHCAGEZ-NRFANRHFSA-N 1 3 369.534 2.843 20 0 FFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CCc3cccs3)C2)C1=O ZINC001276368612 1022015736 /nfs/dbraw/zinc/01/57/36/1022015736.db2.gz AGTGUJRQHCAGEZ-NRFANRHFSA-N 1 3 369.534 2.843 20 0 FFADHO CC(C)OCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145853 1022093971 /nfs/dbraw/zinc/09/39/71/1022093971.db2.gz ZQULTDNSEFLIAI-NJYVYQBISA-N 1 3 373.541 2.898 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145699322 1022124584 /nfs/dbraw/zinc/12/45/84/1022124584.db2.gz VEPWABMEUJIBIA-IBGZPJMESA-N 1 3 374.598 2.847 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145699322 1022124591 /nfs/dbraw/zinc/12/45/91/1022124591.db2.gz VEPWABMEUJIBIA-IBGZPJMESA-N 1 3 374.598 2.847 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C)C(C)C ZINC001111164199 1022163799 /nfs/dbraw/zinc/16/37/99/1022163799.db2.gz NYOLVPAWILKJIJ-YSTOQKLRSA-N 1 3 367.578 2.889 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)c1 ZINC001099504896 1022644134 /nfs/dbraw/zinc/64/41/34/1022644134.db2.gz CXAQHISQMOLUSQ-UWJYYQICSA-N 1 3 370.472 2.818 20 0 FFADHO Cc1cccc(C)c1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001099506786 1022647543 /nfs/dbraw/zinc/64/75/43/1022647543.db2.gz UHFLNCBQOSJSLF-AVRDEDQJSA-N 1 3 366.509 2.988 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccnc2)C1 ZINC001099540174 1022713480 /nfs/dbraw/zinc/71/34/80/1022713480.db2.gz QJEKSQHGPCKVTG-ONTIZHBOSA-N 1 3 370.541 2.674 20 0 FFADHO CC(C)[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1cnn(C)c1 ZINC001119439483 1022766815 /nfs/dbraw/zinc/76/68/15/1022766815.db2.gz UBBCIXGXUJSPCO-OAQYLSRUSA-N 1 3 355.530 2.654 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(Cc2cccnc2)CC3)CC[N@@H+]1C ZINC001040705447 1022956114 /nfs/dbraw/zinc/95/61/14/1022956114.db2.gz IVSXXQIXKVGGNM-VQTJNVASSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CCN(Cc2cccnc2)CC3)CC[N@H+]1C ZINC001040705447 1022956129 /nfs/dbraw/zinc/95/61/29/1022956129.db2.gz IVSXXQIXKVGGNM-VQTJNVASSA-N 1 3 370.541 2.626 20 0 FFADHO [NH3+]CC[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC001122293148 1023172591 /nfs/dbraw/zinc/17/25/91/1023172591.db2.gz JEZKQIIQDBOLLX-FUHWJXTLSA-N 1 3 369.431 2.638 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1O2 ZINC001120482126 1023337651 /nfs/dbraw/zinc/33/76/51/1023337651.db2.gz WPLNEVXWAFDBBO-HIFRSBDPSA-N 1 3 358.404 2.878 20 0 FFADHO CC(C)OCC[C@H](O)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC001120573070 1023366663 /nfs/dbraw/zinc/36/66/63/1023366663.db2.gz MJQNYIJOVPJSFB-HKUYNNGSSA-N 1 3 362.514 2.740 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])N(C)C)cc1 ZINC001120625399 1023393140 /nfs/dbraw/zinc/39/31/40/1023393140.db2.gz YKYOBUPEPBRPGX-VDZJLULYSA-N 1 3 362.543 2.534 20 0 FFADHO CC(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001122758810 1023454559 /nfs/dbraw/zinc/45/45/59/1023454559.db2.gz AXIZBODJWAZMJT-KRWDZBQOSA-N 1 3 362.566 2.664 20 0 FFADHO CC(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001122758810 1023454563 /nfs/dbraw/zinc/45/45/63/1023454563.db2.gz AXIZBODJWAZMJT-KRWDZBQOSA-N 1 3 362.566 2.664 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)C3CCCC3)cc2)CC1 ZINC000754784702 1023517742 /nfs/dbraw/zinc/51/77/42/1023517742.db2.gz XULZJRUJPMUVSK-QGZVFWFLSA-N 1 3 358.530 2.935 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(COC)cc1 ZINC001111304203 1023708110 /nfs/dbraw/zinc/70/81/10/1023708110.db2.gz XMYCMWWFXHCFIW-NJYVYQBISA-N 1 3 373.541 2.786 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(COC)cc1 ZINC001111304203 1023708118 /nfs/dbraw/zinc/70/81/18/1023708118.db2.gz XMYCMWWFXHCFIW-NJYVYQBISA-N 1 3 373.541 2.786 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCc1ccccc1 ZINC001111307648 1023754425 /nfs/dbraw/zinc/75/44/25/1023754425.db2.gz OSPJYYJCTSSOQE-NJYVYQBISA-N 1 3 373.541 2.657 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOCc1ccccc1 ZINC001111307648 1023754431 /nfs/dbraw/zinc/75/44/31/1023754431.db2.gz OSPJYYJCTSSOQE-NJYVYQBISA-N 1 3 373.541 2.657 20 0 FFADHO CN1CCC[C@H](c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CC2CC2)C1 ZINC001123493625 1023830644 /nfs/dbraw/zinc/83/06/44/1023830644.db2.gz AQBROUDXEIBRKJ-OALUTQOASA-N 1 3 372.561 2.562 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101230660 1024140073 /nfs/dbraw/zinc/14/00/73/1024140073.db2.gz DHRZKLQZIWRXDF-GGPKGHCWSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101230660 1024140078 /nfs/dbraw/zinc/14/00/78/1024140078.db2.gz DHRZKLQZIWRXDF-GGPKGHCWSA-N 1 3 353.526 2.779 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001121917339 1024167210 /nfs/dbraw/zinc/16/72/10/1024167210.db2.gz SBNXDNSVWDMTBH-FQEVSTJZSA-N 1 3 371.525 2.609 20 0 FFADHO O=C(N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccc2c(c1)CNC2 ZINC001122138296 1024375055 /nfs/dbraw/zinc/37/50/55/1024375055.db2.gz FTWPODLSDBPECY-IBGZPJMESA-N 1 3 363.461 2.666 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368710 1024560877 /nfs/dbraw/zinc/56/08/77/1024560877.db2.gz IWBLFKVIORNNMX-NQIIRXRSSA-N 1 3 367.578 2.561 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368710 1024560881 /nfs/dbraw/zinc/56/08/81/1024560881.db2.gz IWBLFKVIORNNMX-NQIIRXRSSA-N 1 3 367.578 2.561 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101478589 1024851412 /nfs/dbraw/zinc/85/14/12/1024851412.db2.gz VTZIKMPVMOPDJE-UZKOGDIHSA-N 1 3 355.526 2.794 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@@]2(C)C1 ZINC001101478589 1024851417 /nfs/dbraw/zinc/85/14/17/1024851417.db2.gz VTZIKMPVMOPDJE-UZKOGDIHSA-N 1 3 355.526 2.794 20 0 FFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046191 1025350035 /nfs/dbraw/zinc/35/00/35/1025350035.db2.gz RKHRDYGYPLNAQY-RTBURBONSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046191 1025350045 /nfs/dbraw/zinc/35/00/45/1025350045.db2.gz RKHRDYGYPLNAQY-RTBURBONSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001218677381 1033277756 /nfs/dbraw/zinc/27/77/56/1033277756.db2.gz NQOXXPPICMGRNO-IBGZPJMESA-N 1 3 369.513 2.744 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048886 1025356333 /nfs/dbraw/zinc/35/63/33/1025356333.db2.gz SGGGGSLZYVAMAQ-ATZDWAIDSA-N 1 3 363.571 2.705 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102048886 1025356347 /nfs/dbraw/zinc/35/63/47/1025356347.db2.gz SGGGGSLZYVAMAQ-ATZDWAIDSA-N 1 3 363.571 2.705 20 0 FFADHO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102049977 1025360954 /nfs/dbraw/zinc/36/09/54/1025360954.db2.gz OAQZJMBFLNKPGQ-XHKZUWJLSA-N 1 3 355.526 2.868 20 0 FFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102049977 1025360968 /nfs/dbraw/zinc/36/09/68/1025360968.db2.gz OAQZJMBFLNKPGQ-XHKZUWJLSA-N 1 3 355.526 2.868 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(OC)c2)C[C@H]1C)N(C)C ZINC001102088514 1025413532 /nfs/dbraw/zinc/41/35/32/1025413532.db2.gz YRFJLKFQPNPUJU-BHIYHBOVSA-N 1 3 361.530 2.528 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(OC)c2)C[C@H]1C)N(C)C ZINC001102088514 1025413537 /nfs/dbraw/zinc/41/35/37/1025413537.db2.gz YRFJLKFQPNPUJU-BHIYHBOVSA-N 1 3 361.530 2.528 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)C2)cc1 ZINC000637719712 1025546413 /nfs/dbraw/zinc/54/64/13/1025546413.db2.gz PXJMOQJJLSNJQZ-YZGWKJHDSA-N 1 3 358.530 2.551 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)C2)cc1 ZINC000637719712 1025546433 /nfs/dbraw/zinc/54/64/33/1025546433.db2.gz PXJMOQJJLSNJQZ-YZGWKJHDSA-N 1 3 358.530 2.551 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](N3CCN(C)CC3)[C@@H](C)C1)CC2 ZINC000638138188 1025719291 /nfs/dbraw/zinc/71/92/91/1025719291.db2.gz XJTMXNYHWHPFKX-FFZOFVMBSA-N 1 3 373.541 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](N3CCN(C)CC3)[C@@H](C)C1)CC2 ZINC000638138188 1025719309 /nfs/dbraw/zinc/71/93/09/1025719309.db2.gz XJTMXNYHWHPFKX-FFZOFVMBSA-N 1 3 373.541 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N1CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C1)CC2 ZINC000638138188 1025719327 /nfs/dbraw/zinc/71/93/27/1025719327.db2.gz XJTMXNYHWHPFKX-FFZOFVMBSA-N 1 3 373.541 2.649 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1C)N(C)C ZINC001102337532 1025766572 /nfs/dbraw/zinc/76/65/72/1025766572.db2.gz GELSZYYQDQGUQI-ZSGKNINISA-N 1 3 357.542 2.970 20 0 FFADHO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1C)N(C)C ZINC001102337532 1025766588 /nfs/dbraw/zinc/76/65/88/1025766588.db2.gz GELSZYYQDQGUQI-ZSGKNINISA-N 1 3 357.542 2.970 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2C)C1 ZINC001102369791 1025822682 /nfs/dbraw/zinc/82/26/82/1025822682.db2.gz HACVQMLXJHQAAT-YQVWRLOYSA-N 1 3 369.509 2.959 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]2C)C1 ZINC001102369791 1025822695 /nfs/dbraw/zinc/82/26/95/1025822695.db2.gz HACVQMLXJHQAAT-YQVWRLOYSA-N 1 3 369.509 2.959 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCc3ccsc3)C[C@H]2C)C1 ZINC001102370394 1025831007 /nfs/dbraw/zinc/83/10/07/1025831007.db2.gz ZGHYIYFPRXJVSX-ZHALLVOQSA-N 1 3 363.571 2.707 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2C)C1 ZINC001102370394 1025831029 /nfs/dbraw/zinc/83/10/29/1025831029.db2.gz ZGHYIYFPRXJVSX-ZHALLVOQSA-N 1 3 363.571 2.707 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@H]1C)N(C)C ZINC001102377169 1025850172 /nfs/dbraw/zinc/85/01/72/1025850172.db2.gz RFRPTWCTYZSZKF-HLIPFELVSA-N 1 3 360.546 2.729 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@H]1C)N(C)C ZINC001102377169 1025850193 /nfs/dbraw/zinc/85/01/93/1025850193.db2.gz RFRPTWCTYZSZKF-HLIPFELVSA-N 1 3 360.546 2.729 20 0 FFADHO CC(C)COCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428830 1025961053 /nfs/dbraw/zinc/96/10/53/1025961053.db2.gz UYOVYAZDJWFXIG-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)COCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428830 1025961062 /nfs/dbraw/zinc/96/10/62/1025961062.db2.gz UYOVYAZDJWFXIG-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CN(Cc2cnoc2C)C[C@H]1C)C(C)C ZINC001102471999 1026035343 /nfs/dbraw/zinc/03/53/43/1026035343.db2.gz BHKBNSLKHISXPZ-SZVBFZGTSA-N 1 3 364.534 2.534 20 0 FFADHO C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513781 1026179157 /nfs/dbraw/zinc/17/91/57/1026179157.db2.gz APFFQBDXVGYJJX-BPQIPLTHSA-N 1 3 363.933 2.866 20 0 FFADHO C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513781 1026179167 /nfs/dbraw/zinc/17/91/67/1026179167.db2.gz APFFQBDXVGYJJX-BPQIPLTHSA-N 1 3 363.933 2.866 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1C ZINC001102525483 1026218498 /nfs/dbraw/zinc/21/84/98/1026218498.db2.gz FKTWETLSFPULED-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1C ZINC001102525483 1026218506 /nfs/dbraw/zinc/21/85/06/1026218506.db2.gz FKTWETLSFPULED-RTBURBONSA-N 1 3 367.578 2.752 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@H]1C ZINC001102525480 1026218739 /nfs/dbraw/zinc/21/87/39/1026218739.db2.gz FHRNLWHVCQFYBD-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1C ZINC001102525480 1026218751 /nfs/dbraw/zinc/21/87/51/1026218751.db2.gz FHRNLWHVCQFYBD-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CO[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)[C@@H]1CCOC1 ZINC000639330029 1026279658 /nfs/dbraw/zinc/27/96/58/1026279658.db2.gz QEJOGAONSSLGER-QHAWAJNXSA-N 1 3 358.526 2.930 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(CC(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675071 1026428545 /nfs/dbraw/zinc/42/85/45/1026428545.db2.gz QAZGVKRCNCKEEX-CGXNFDGLSA-N 1 3 374.569 2.671 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(CC(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c2ccccc2)C1 ZINC000639675071 1026428547 /nfs/dbraw/zinc/42/85/47/1026428547.db2.gz QAZGVKRCNCKEEX-CGXNFDGLSA-N 1 3 374.569 2.671 20 0 FFADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000639684386 1026433621 /nfs/dbraw/zinc/43/36/21/1026433621.db2.gz UNEHLKYUPGTXLD-UHFFFAOYSA-N 1 3 364.493 2.569 20 0 FFADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000639684386 1026433629 /nfs/dbraw/zinc/43/36/29/1026433629.db2.gz UNEHLKYUPGTXLD-UHFFFAOYSA-N 1 3 364.493 2.569 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CC1 ZINC000639791824 1026472357 /nfs/dbraw/zinc/47/23/57/1026472357.db2.gz LTXAZWMAPOOICU-FQEVSTJZSA-N 1 3 367.541 2.835 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CC1 ZINC000639791824 1026472362 /nfs/dbraw/zinc/47/23/62/1026472362.db2.gz LTXAZWMAPOOICU-FQEVSTJZSA-N 1 3 367.541 2.835 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)CN[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1 ZINC000639906738 1026510525 /nfs/dbraw/zinc/51/05/25/1026510525.db2.gz WBIPGLXYDUSFIE-URVUXULASA-N 1 3 367.493 2.525 20 0 FFADHO COC(=O)C[C@@]1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCCOC1 ZINC000839560844 1026733775 /nfs/dbraw/zinc/73/37/75/1026733775.db2.gz PYOCHAHONAMQLD-NRFANRHFSA-N 1 3 360.498 2.874 20 0 FFADHO C[NH+](C)Cc1ccnc(NC(=O)NC[C@H]2CCN2Cc2ccccc2)c1 ZINC000640577326 1026811695 /nfs/dbraw/zinc/81/16/95/1026811695.db2.gz QNZYEGDPRMGEIZ-GOSISDBHSA-N 1 3 353.470 2.539 20 0 FFADHO CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987406 1026858560 /nfs/dbraw/zinc/85/85/60/1026858560.db2.gz BDGRCYYXXJLZED-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)OCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987406 1026858570 /nfs/dbraw/zinc/85/85/70/1026858570.db2.gz BDGRCYYXXJLZED-RTBURBONSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087745 1026948619 /nfs/dbraw/zinc/94/86/19/1026948619.db2.gz MSAHJHCORQRNAR-DUXKGJEZSA-N 1 3 357.542 2.644 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087745 1026948629 /nfs/dbraw/zinc/94/86/29/1026948629.db2.gz MSAHJHCORQRNAR-DUXKGJEZSA-N 1 3 357.542 2.644 20 0 FFADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088493 1026950104 /nfs/dbraw/zinc/95/01/04/1026950104.db2.gz DRWHQGFUUKQOSG-SUMDDJOVSA-N 1 3 363.571 2.705 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088493 1026950115 /nfs/dbraw/zinc/95/01/15/1026950115.db2.gz DRWHQGFUUKQOSG-SUMDDJOVSA-N 1 3 363.571 2.705 20 0 FFADHO O=c1[nH]c2ccc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc2[nH]1 ZINC000641747843 1027288939 /nfs/dbraw/zinc/28/89/39/1027288939.db2.gz PLOWCSUNFNYKPT-GOSISDBHSA-N 1 3 366.465 2.515 20 0 FFADHO O=c1[nH]c2ccc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc2[nH]1 ZINC000641747843 1027288955 /nfs/dbraw/zinc/28/89/55/1027288955.db2.gz PLOWCSUNFNYKPT-GOSISDBHSA-N 1 3 366.465 2.515 20 0 FFADHO C[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378949 1027353726 /nfs/dbraw/zinc/35/37/26/1027353726.db2.gz ROLHTKIEQKFUML-HZPDHXFCSA-N 1 3 366.937 2.651 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248064590 1027381192 /nfs/dbraw/zinc/38/11/92/1027381192.db2.gz MCYZHJQBAQCOQI-BZSNNMDCSA-N 1 3 369.550 2.722 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248064590 1027381208 /nfs/dbraw/zinc/38/12/08/1027381208.db2.gz MCYZHJQBAQCOQI-BZSNNMDCSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103408510 1027418977 /nfs/dbraw/zinc/41/89/77/1027418977.db2.gz FQSHONBWVQLISC-VAMGGRTRSA-N 1 3 369.594 2.710 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001103408510 1027418985 /nfs/dbraw/zinc/41/89/85/1027418985.db2.gz FQSHONBWVQLISC-VAMGGRTRSA-N 1 3 369.594 2.710 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2C)C1 ZINC001103436293 1027480429 /nfs/dbraw/zinc/48/04/29/1027480429.db2.gz SBQBPNSMMJYXTC-QWFCFKBJSA-N 1 3 361.574 2.983 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2C)C1 ZINC001103436293 1027480434 /nfs/dbraw/zinc/48/04/34/1027480434.db2.gz SBQBPNSMMJYXTC-QWFCFKBJSA-N 1 3 361.574 2.983 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C)N(C)C ZINC001103444852 1027494614 /nfs/dbraw/zinc/49/46/14/1027494614.db2.gz MBPXXPHZRKWNEL-OGWOLHLISA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1C)N(C)C ZINC001103444852 1027494617 /nfs/dbraw/zinc/49/46/17/1027494617.db2.gz MBPXXPHZRKWNEL-OGWOLHLISA-N 1 3 367.484 2.879 20 0 FFADHO c1cc(NC2=CC[C@H](N3CCOCC3)CC2)cc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160217801 1027640011 /nfs/dbraw/zinc/64/00/11/1027640011.db2.gz OTFSZJFJHKQDGU-FPOVZHCZSA-N 1 3 357.498 2.998 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001103550286 1027665260 /nfs/dbraw/zinc/66/52/60/1027665260.db2.gz IYXVAWFDJPMNKP-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001103550286 1027665267 /nfs/dbraw/zinc/66/52/67/1027665267.db2.gz IYXVAWFDJPMNKP-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001160435467 1027705552 /nfs/dbraw/zinc/70/55/52/1027705552.db2.gz DGEVUBIBPGKQQZ-FQEVSTJZSA-N 1 3 366.509 2.748 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC001160435467 1027705562 /nfs/dbraw/zinc/70/55/62/1027705562.db2.gz DGEVUBIBPGKQQZ-FQEVSTJZSA-N 1 3 366.509 2.748 20 0 FFADHO CN(CCN1CCCC1)C(=O)c1c(Cl)cc2c(c1Cl)CC[NH2+]C2 ZINC001160688379 1027806312 /nfs/dbraw/zinc/80/63/12/1027806312.db2.gz OSMOPSRZLVHTSO-UHFFFAOYSA-N 1 3 356.297 2.807 20 0 FFADHO COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC001160955864 1027946897 /nfs/dbraw/zinc/94/68/97/1027946897.db2.gz ISJNOIQLRMHMEB-NQIIRXRSSA-N 1 3 359.514 2.508 20 0 FFADHO [NH3+][C@H]1CN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC(F)(F)C1 ZINC001160970797 1027953587 /nfs/dbraw/zinc/95/35/87/1027953587.db2.gz CFCZYSGCTNNYSB-GOEBONIOSA-N 1 3 371.859 2.747 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1(C)C ZINC000249131061 1028007877 /nfs/dbraw/zinc/00/78/77/1028007877.db2.gz SHFDCOBLAFOTCC-WAOWUJCRSA-N 1 3 361.530 2.718 20 0 FFADHO COc1ccccc1OCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643456405 1028008667 /nfs/dbraw/zinc/00/86/67/1028008667.db2.gz RAAUIYSAQBFXBR-UWJYYQICSA-N 1 3 354.450 2.920 20 0 FFADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](N)Cc3ccc(C(C)(C)C)cc3)C[C@H]2C1 ZINC001161174761 1028053705 /nfs/dbraw/zinc/05/37/05/1028053705.db2.gz DZQPYXDRLFAVQB-QWFCFKBJSA-N 1 3 357.542 2.654 20 0 FFADHO CN(C)CCN(C(=O)C1c2ccccc2-c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001161446086 1028179261 /nfs/dbraw/zinc/17/92/61/1028179261.db2.gz QJLZWHGZBSYCCU-QGZVFWFLSA-N 1 3 363.505 2.941 20 0 FFADHO CN(C)CCN(C(=O)CC1(c2ccc(F)cc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC001161449831 1028180235 /nfs/dbraw/zinc/18/02/35/1028180235.db2.gz TUNVWCJFXLOIPQ-LJQANCHMSA-N 1 3 361.505 2.780 20 0 FFADHO Cc1nc2ccccc2c(C)c1CC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448248 1028180591 /nfs/dbraw/zinc/18/05/91/1028180591.db2.gz AEBBTUBBCOJUMH-SFHVURJKSA-N 1 3 368.525 2.536 20 0 FFADHO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161450369 1028182555 /nfs/dbraw/zinc/18/25/55/1028182555.db2.gz FVMGZOLHDAVNBG-OAHLLOKOSA-N 1 3 362.905 2.886 20 0 FFADHO C[C@H]1OC2(CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2)c2ccccc21 ZINC001161499340 1028202366 /nfs/dbraw/zinc/20/23/66/1028202366.db2.gz FYQWORISNYCTMI-APWZRJJASA-N 1 3 359.514 2.655 20 0 FFADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592373 1028244658 /nfs/dbraw/zinc/24/46/58/1028244658.db2.gz OFHCLPVRRWFUJV-CVEARBPZSA-N 1 3 367.415 2.538 20 0 FFADHO O=C(CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)Nc1ccccc1F ZINC000644601534 1028578135 /nfs/dbraw/zinc/57/81/35/1028578135.db2.gz VAHTYBRUQIDBRC-MOPGFXCFSA-N 1 3 363.477 2.512 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000644632240 1028594592 /nfs/dbraw/zinc/59/45/92/1028594592.db2.gz HHCDYRSEKWUEEI-MAUKXSAKSA-N 1 3 374.447 2.699 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000644632240 1028594604 /nfs/dbraw/zinc/59/46/04/1028594604.db2.gz HHCDYRSEKWUEEI-MAUKXSAKSA-N 1 3 374.447 2.699 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1nc(C[NH3+])ccc1NC(=O)C(C)(C)C ZINC001162758739 1028646562 /nfs/dbraw/zinc/64/65/62/1028646562.db2.gz LRRGWNQLZIYDDW-LBPRGKRZSA-N 1 3 366.469 2.884 20 0 FFADHO CCN(CC)CCNC(=[NH2+])Nc1nc2ccccc2nc1N1CCCC1 ZINC001163128608 1028813386 /nfs/dbraw/zinc/81/33/86/1028813386.db2.gz MZHIDSCCWBIWDS-UHFFFAOYSA-N 1 3 355.490 2.508 20 0 FFADHO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)n1cnc2c1CNCC2 ZINC001164317416 1029243500 /nfs/dbraw/zinc/24/35/00/1029243500.db2.gz SEOHKCLFRNMJEV-UHFFFAOYSA-N 1 3 365.815 2.552 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2(CNCC=C(Cl)Cl)CC2)CC[N@@H+]1C ZINC001164583002 1029333127 /nfs/dbraw/zinc/33/31/27/1029333127.db2.gz QMUMPIJSJSCEMJ-UONOGXRCSA-N 1 3 362.345 2.912 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC2(CNCC=C(Cl)Cl)CC2)CC[N@H+]1C ZINC001164583002 1029333145 /nfs/dbraw/zinc/33/31/45/1029333145.db2.gz QMUMPIJSJSCEMJ-UONOGXRCSA-N 1 3 362.345 2.912 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001111767094 1029389599 /nfs/dbraw/zinc/38/95/99/1029389599.db2.gz OXNNCVJNUSQRNU-ZJOUEHCJSA-N 1 3 361.505 2.837 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001111767094 1029389609 /nfs/dbraw/zinc/38/96/09/1029389609.db2.gz OXNNCVJNUSQRNU-ZJOUEHCJSA-N 1 3 361.505 2.837 20 0 FFADHO CCC[NH2+][C@@H]1CCc2c(sc(=N)n2-c2ccc(CN3CCCC3)cn2)C1 ZINC001165106547 1029393136 /nfs/dbraw/zinc/39/31/36/1029393136.db2.gz WNGCJHCTYJSJAN-MRXNPFEDSA-N 1 3 371.554 2.866 20 0 FFADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157740360 1029653777 /nfs/dbraw/zinc/65/37/77/1029653777.db2.gz NPLYOFBLRQWVRB-UNMCSNQZSA-N 1 3 369.484 2.903 20 0 FFADHO C[NH+]1CCC(CN2CCN(c3ncnc4c(Cl)cccc43)CC2)CC1 ZINC001157837661 1029672823 /nfs/dbraw/zinc/67/28/23/1029672823.db2.gz UYNZBNBPBHWRJS-UHFFFAOYSA-N 1 3 359.905 2.747 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)Cc1ncccc1C(F)(F)F ZINC001157988279 1029702234 /nfs/dbraw/zinc/70/22/34/1029702234.db2.gz CLJLYSBNHLXHIA-AWEZNQCLSA-N 1 3 360.424 2.554 20 0 FFADHO CCOc1ccc(C[C@H](N)C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001158027154 1029710978 /nfs/dbraw/zinc/71/09/78/1029710978.db2.gz FEIKPQMJSLXIDP-UNMCSNQZSA-N 1 3 373.541 2.728 20 0 FFADHO C[C@H]1CCc2c(sc3ncnc(N4CCC([N@@H+]5CC[C@H](N)C5)CC4)c23)C1 ZINC001158261683 1029776473 /nfs/dbraw/zinc/77/64/73/1029776473.db2.gz OQXSMIWSBHOKNV-KBPBESRZSA-N 1 3 371.554 2.818 20 0 FFADHO C[C@H]1CCc2c(sc3ncnc(N4CCC([N@H+]5CC[C@H](N)C5)CC4)c23)C1 ZINC001158261683 1029776479 /nfs/dbraw/zinc/77/64/79/1029776479.db2.gz OQXSMIWSBHOKNV-KBPBESRZSA-N 1 3 371.554 2.818 20 0 FFADHO N[C@H]1CC[N@@H+](C2CCN(c3nc(Cl)nc4ccc(Cl)cc43)CC2)C1 ZINC001158260208 1029777039 /nfs/dbraw/zinc/77/70/39/1029777039.db2.gz YKHAIXIAICAMGP-LBPRGKRZSA-N 1 3 366.296 2.938 20 0 FFADHO N[C@H]1CC[N@H+](C2CCN(c3nc(Cl)nc4ccc(Cl)cc43)CC2)C1 ZINC001158260208 1029777045 /nfs/dbraw/zinc/77/70/45/1029777045.db2.gz YKHAIXIAICAMGP-LBPRGKRZSA-N 1 3 366.296 2.938 20 0 FFADHO Cc1cccnc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004288 1029852695 /nfs/dbraw/zinc/85/26/95/1029852695.db2.gz UMKGVZUTTLBGNS-UGKGYDQZSA-N 1 3 370.541 2.737 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)cc2)CC1 ZINC000841017536 1029980373 /nfs/dbraw/zinc/98/03/73/1029980373.db2.gz FPPZCPQHTHBWPJ-HXUWFJFHSA-N 1 3 373.545 2.858 20 0 FFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C(F)(F)F ZINC001112123260 1030052843 /nfs/dbraw/zinc/05/28/43/1030052843.db2.gz AHLGIXGQHHSQNQ-MGPQQGTHSA-N 1 3 351.457 2.742 20 0 FFADHO [NH3+]CCOc1cccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000841286899 1030159163 /nfs/dbraw/zinc/15/91/63/1030159163.db2.gz HYIVMLIQFLDDNB-IBGZPJMESA-N 1 3 368.481 2.810 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001112198123 1030215610 /nfs/dbraw/zinc/21/56/10/1030215610.db2.gz BSPIVTGBNYEDQF-BZUAXINKSA-N 1 3 365.484 2.989 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841730861 1030433226 /nfs/dbraw/zinc/43/32/26/1030433226.db2.gz QIQOEVYPSJKXEC-LAUBAEHRSA-N 1 3 366.509 2.823 20 0 FFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000841998962 1030574205 /nfs/dbraw/zinc/57/42/05/1030574205.db2.gz XEXSRXBIAUMBLW-OAQYLSRUSA-N 1 3 366.509 2.777 20 0 FFADHO Cc1c(F)cc(F)cc1CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001276443052 1031118530 /nfs/dbraw/zinc/11/85/30/1031118530.db2.gz SNOQECVOWCWJKD-UHFFFAOYSA-N 1 3 365.468 2.649 20 0 FFADHO CCOC(=O)c1ccc2c(c1)nc(CN(C)C1CCC([NH3+])CC1)n2CC ZINC000843354639 1031347291 /nfs/dbraw/zinc/34/72/91/1031347291.db2.gz GKRFJSRTQNXPJQ-UHFFFAOYSA-N 1 3 358.486 2.935 20 0 FFADHO Cc1cc2oc(=O)cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c2cc1C ZINC000843389454 1031370656 /nfs/dbraw/zinc/37/06/56/1031370656.db2.gz VVCPACFCBWUXOZ-NQIIRXRSSA-N 1 3 356.466 2.738 20 0 FFADHO COc1c(CN2CCC[C@](O)(C[NH3+])CC2)cccc1OCc1ccccc1 ZINC001205255857 1031632151 /nfs/dbraw/zinc/63/21/51/1031632151.db2.gz MBBRUVOLKBBHLN-JOCHJYFZSA-N 1 3 370.493 2.950 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001150154361 1031674159 /nfs/dbraw/zinc/67/41/59/1031674159.db2.gz LARRHZKVTLBKQH-AZUAARDMSA-N 1 3 355.526 2.889 20 0 FFADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cn[nH]n4)CC3)CC2)c1 ZINC001203199082 1031717162 /nfs/dbraw/zinc/71/71/62/1031717162.db2.gz BZKGVAZHOCOJED-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO CCC/C=C/CCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052401 1033490559 /nfs/dbraw/zinc/49/05/59/1033490559.db2.gz YUZRNFBFJIEIFM-IKLBINMZSA-N 1 3 363.546 2.520 20 0 FFADHO C[NH2+][C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H](C)OC(C)(C)C ZINC001219999024 1033934222 /nfs/dbraw/zinc/93/42/22/1033934222.db2.gz IHKSDZNMTSSGSO-NEWSRXKRSA-N 1 3 361.530 2.731 20 0 FFADHO CN[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H](C)OC(C)(C)C ZINC001219999024 1033934231 /nfs/dbraw/zinc/93/42/31/1033934231.db2.gz IHKSDZNMTSSGSO-NEWSRXKRSA-N 1 3 361.530 2.731 20 0 FFADHO C[NH2+][C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001219998762 1033934590 /nfs/dbraw/zinc/93/45/90/1033934590.db2.gz AXWMTVWAFDKTQA-RTWAWAEBSA-N 1 3 351.494 2.770 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209504 1034048223 /nfs/dbraw/zinc/04/82/23/1034048223.db2.gz RDAYROJZYAGSOU-AABGKKOBSA-N 1 3 365.562 2.525 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209504 1034048239 /nfs/dbraw/zinc/04/82/39/1034048239.db2.gz RDAYROJZYAGSOU-AABGKKOBSA-N 1 3 365.562 2.525 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209505 1034048375 /nfs/dbraw/zinc/04/83/75/1034048375.db2.gz RDAYROJZYAGSOU-AQNXPRMDSA-N 1 3 365.562 2.525 20 0 FFADHO CCCCCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001220209505 1034048386 /nfs/dbraw/zinc/04/83/86/1034048386.db2.gz RDAYROJZYAGSOU-AQNXPRMDSA-N 1 3 365.562 2.525 20 0 FFADHO C[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC001138308369 1034108041 /nfs/dbraw/zinc/10/80/41/1034108041.db2.gz KVMKOKDAKWSQAU-GOSISDBHSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC001138308369 1034108051 /nfs/dbraw/zinc/10/80/51/1034108051.db2.gz KVMKOKDAKWSQAU-GOSISDBHSA-N 1 3 357.542 2.882 20 0 FFADHO CCCCN(CC)[C@H](C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC001220315760 1034115390 /nfs/dbraw/zinc/11/53/90/1034115390.db2.gz IAEACKYCLWFVCB-RZUBCFFCSA-N 1 3 373.541 2.877 20 0 FFADHO Cc1ccc(Cl)cc1CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277032585 1034200966 /nfs/dbraw/zinc/20/09/66/1034200966.db2.gz ROTJCFHVELLYHA-SFHVURJKSA-N 1 3 363.933 2.928 20 0 FFADHO C[N@@H+]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCC1(C)C ZINC001220644928 1034314154 /nfs/dbraw/zinc/31/41/54/1034314154.db2.gz ISKFFJZLBOWJAJ-LJQANCHMSA-N 1 3 358.530 2.949 20 0 FFADHO C[N@H+]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCC1(C)C ZINC001220644928 1034314167 /nfs/dbraw/zinc/31/41/67/1034314167.db2.gz ISKFFJZLBOWJAJ-LJQANCHMSA-N 1 3 358.530 2.949 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccccc3N3CCCC3)CC2)CC1 ZINC001138614522 1034468607 /nfs/dbraw/zinc/46/86/07/1034468607.db2.gz BVUOYDBMGFOROR-UHFFFAOYSA-N 1 3 356.558 2.746 20 0 FFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)cc1 ZINC001221248125 1034625346 /nfs/dbraw/zinc/62/53/46/1034625346.db2.gz KGJWCIVCKYBFCI-SIKLNZKXSA-N 1 3 373.541 2.772 20 0 FFADHO CCc1noc([C@H]2CCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC001138773084 1034641030 /nfs/dbraw/zinc/64/10/30/1034641030.db2.gz PWLZNDVZAVZSRZ-KRWDZBQOSA-N 1 3 358.486 2.952 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC001226553801 1034732323 /nfs/dbraw/zinc/73/23/23/1034732323.db2.gz HIUWWZBFVLTGQP-GVDBMIGSSA-N 1 3 370.538 2.648 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)cc1F ZINC001226800517 1034845932 /nfs/dbraw/zinc/84/59/32/1034845932.db2.gz LKMCVMAFIYRALM-AQNXPRMDSA-N 1 3 361.505 2.991 20 0 FFADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226819199 1034852199 /nfs/dbraw/zinc/85/21/99/1034852199.db2.gz WYTRPMJQVLIJNJ-RTBURBONSA-N 1 3 353.551 2.550 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC001227150161 1034951879 /nfs/dbraw/zinc/95/18/79/1034951879.db2.gz LCCGNKFXBHXLMC-QZTJIDSGSA-N 1 3 353.551 2.550 20 0 FFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN([C@H]4CCc5ccccc54)C[C@H]32)CC1 ZINC001221772671 1035055695 /nfs/dbraw/zinc/05/56/95/1035055695.db2.gz JEHSRQPNYVZVGZ-YZGWKJHDSA-N 1 3 353.510 2.548 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(Cc3cccc4cccnc43)C[C@H]21 ZINC001221773032 1035057780 /nfs/dbraw/zinc/05/77/80/1035057780.db2.gz VTGVDBVCGPEVMG-UYAOXDASSA-N 1 3 366.509 2.609 20 0 FFADHO O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204273 1035250704 /nfs/dbraw/zinc/25/07/04/1035250704.db2.gz PSUOTTTVHADXRM-UHFFFAOYSA-N 1 3 370.541 2.532 20 0 FFADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1CN1CCCCC1 ZINC000834907355 1035472769 /nfs/dbraw/zinc/47/27/69/1035472769.db2.gz OVZNYEDLJUYKIH-HHXXYDBFSA-N 1 3 359.514 2.986 20 0 FFADHO CN(CCC(=O)c1cccs1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232363653 1035625774 /nfs/dbraw/zinc/62/57/74/1035625774.db2.gz NCPOCJQAFJLKNM-UHFFFAOYSA-N 1 3 358.511 2.600 20 0 FFADHO CCOc1ccc(OC)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001232386594 1035645622 /nfs/dbraw/zinc/64/56/22/1035645622.db2.gz QWWGABHEGGEOQT-UHFFFAOYSA-N 1 3 361.530 2.553 20 0 FFADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN(CC2CCCCC2)CC1 ZINC001227883368 1035786816 /nfs/dbraw/zinc/78/68/16/1035786816.db2.gz SYKLZHSSQPJVLW-HXUWFJFHSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCN(CC2CCCCC2)CC1 ZINC001227883368 1035786830 /nfs/dbraw/zinc/78/68/30/1035786830.db2.gz SYKLZHSSQPJVLW-HXUWFJFHSA-N 1 3 362.562 2.911 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Cl)n1 ZINC001228255508 1036017001 /nfs/dbraw/zinc/01/70/01/1036017001.db2.gz YTSUEBXGODHXSZ-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC1CCOCC1)N(C)C ZINC001228661025 1036239849 /nfs/dbraw/zinc/23/98/49/1036239849.db2.gz LXDAMZAIQUHDDO-AQNXPRMDSA-N 1 3 367.578 2.941 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOCC ZINC001229173447 1036533716 /nfs/dbraw/zinc/53/37/16/1036533716.db2.gz FJFYMXHPPXLUIL-RTBURBONSA-N 1 3 355.567 2.942 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1C)C(C)C ZINC001229194054 1036545344 /nfs/dbraw/zinc/54/53/44/1036545344.db2.gz IMALADBMGKLMGA-GUDVDZBRSA-N 1 3 364.534 2.866 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)c1ccccc1 ZINC001229231083 1036565812 /nfs/dbraw/zinc/56/58/12/1036565812.db2.gz LXWUONZMSQVHBL-AQNXPRMDSA-N 1 3 361.530 2.733 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC001229230989 1036566366 /nfs/dbraw/zinc/56/63/66/1036566366.db2.gz KYCNZAKCYVBEBR-HZPDHXFCSA-N 1 3 352.910 2.594 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC001233739311 1036741966 /nfs/dbraw/zinc/74/19/66/1036741966.db2.gz HCDUSIBUPFSFGO-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc4ccsc4c3)C2)C1=O ZINC001277817408 1036818338 /nfs/dbraw/zinc/81/83/38/1036818338.db2.gz MTUCHVZOAYTXAV-HXUWFJFHSA-N 1 3 357.523 2.887 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc4ccsc4c3)C2)C1=O ZINC001277817408 1036818358 /nfs/dbraw/zinc/81/83/58/1036818358.db2.gz MTUCHVZOAYTXAV-HXUWFJFHSA-N 1 3 357.523 2.887 20 0 FFADHO Nc1[nH]c2ccc(OC[C@H]3CN(Cc4ccccc4)CCCO3)cc2[nH+]1 ZINC001230514724 1037299279 /nfs/dbraw/zinc/29/92/79/1037299279.db2.gz CMCCULBNAARBEP-QGZVFWFLSA-N 1 3 352.438 2.815 20 0 FFADHO c1ccc(CN2CCN(c3ccccc3CN3CC[NH2+][C@H]4C[C@H]43)CC2)cc1 ZINC001235291493 1037455862 /nfs/dbraw/zinc/45/58/62/1037455862.db2.gz NQACCIVJFQMCET-JTHBVZDNSA-N 1 3 362.521 2.555 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3c(Cl)cccc3OC)C[C@@H]1CC[NH2+]CC2 ZINC001235350779 1037498266 /nfs/dbraw/zinc/49/82/66/1037498266.db2.gz ZIYHCOASXZZUQL-LIRRHRJNSA-N 1 3 366.889 2.713 20 0 FFADHO c1cc2n(c1CN1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCNC2 ZINC001235382135 1037517138 /nfs/dbraw/zinc/51/71/38/1037517138.db2.gz PIFPGNGNNVDPKK-KNQAVFIVSA-N 1 3 350.510 2.688 20 0 FFADHO c1cc2n(c1CN1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCNC2 ZINC001235382135 1037517146 /nfs/dbraw/zinc/51/71/46/1037517146.db2.gz PIFPGNGNNVDPKK-KNQAVFIVSA-N 1 3 350.510 2.688 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1C ZINC001207540912 1037532789 /nfs/dbraw/zinc/53/27/89/1037532789.db2.gz KZQMWSDFJLNMJS-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1C ZINC001207540912 1037532808 /nfs/dbraw/zinc/53/28/08/1037532808.db2.gz KZQMWSDFJLNMJS-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207617558 1037605762 /nfs/dbraw/zinc/60/57/62/1037605762.db2.gz VPHZYQZGWIHAMY-YVWKXTFCSA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207617558 1037605769 /nfs/dbraw/zinc/60/57/69/1037605769.db2.gz VPHZYQZGWIHAMY-YVWKXTFCSA-N 1 3 361.505 2.679 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001207649709 1037631422 /nfs/dbraw/zinc/63/14/22/1037631422.db2.gz CUYTXUHWDNWKOW-AHRSYUTCSA-N 1 3 363.521 2.781 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C)N(C)C ZINC001207649709 1037631428 /nfs/dbraw/zinc/63/14/28/1037631428.db2.gz CUYTXUHWDNWKOW-AHRSYUTCSA-N 1 3 363.521 2.781 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001207750248 1037694580 /nfs/dbraw/zinc/69/45/80/1037694580.db2.gz NRYUSJSAIBXJNQ-OXQOHEQNSA-N 1 3 357.542 2.842 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001207750248 1037694587 /nfs/dbraw/zinc/69/45/87/1037694587.db2.gz NRYUSJSAIBXJNQ-OXQOHEQNSA-N 1 3 357.542 2.842 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001207758034 1037699796 /nfs/dbraw/zinc/69/97/96/1037699796.db2.gz SCQNXMIBXMPMHC-BZUAXINKSA-N 1 3 359.505 2.979 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001207758034 1037699803 /nfs/dbraw/zinc/69/98/03/1037699803.db2.gz SCQNXMIBXMPMHC-BZUAXINKSA-N 1 3 359.505 2.979 20 0 FFADHO CCOC(=O)[C@]12CN(Cc3cccc4nccc(C)c34)C[C@H]1C[NH2+]CC2 ZINC001236041898 1037906342 /nfs/dbraw/zinc/90/63/42/1037906342.db2.gz WKEZJICJQSAKNE-DYESRHJHSA-N 1 3 353.466 2.518 20 0 FFADHO CCOC(=O)[C@]12C[N@H+](Cc3cccc4c(F)cccc34)C[C@H]1CNCC2 ZINC001236041885 1037906875 /nfs/dbraw/zinc/90/68/75/1037906875.db2.gz VYODMRJINKIYTK-IIBYNOLFSA-N 1 3 356.441 2.954 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cccc4c(F)cccc34)C[C@H]1CNCC2 ZINC001236041885 1037906885 /nfs/dbraw/zinc/90/68/85/1037906885.db2.gz VYODMRJINKIYTK-IIBYNOLFSA-N 1 3 356.441 2.954 20 0 FFADHO Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)[C@@H]2CCCN(C)C2)cc1 ZINC001255484563 1037965542 /nfs/dbraw/zinc/96/55/42/1037965542.db2.gz ABYKXYJSBYHVRX-GOSISDBHSA-N 1 3 351.498 2.706 20 0 FFADHO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2(C)CC[NH+](C)CC2)n1 ZINC001208109690 1038041402 /nfs/dbraw/zinc/04/14/02/1038041402.db2.gz OKZFLNCPGSLAFO-PWRODBHTSA-N 1 3 373.541 2.870 20 0 FFADHO Fc1ccccc1CN(Cc1nc2c(s1)CNCC2)[C@H]1CCC[NH2+]C1 ZINC001236354755 1038056718 /nfs/dbraw/zinc/05/67/18/1038056718.db2.gz LDGMYYVYSRRXHQ-HNNXBMFYSA-N 1 3 360.502 2.682 20 0 FFADHO Fc1ccccc1CN(Cc1nc2c(s1)CNCC2)C1CC[NH2+]CC1 ZINC001236371133 1038060810 /nfs/dbraw/zinc/06/08/10/1038060810.db2.gz SGKSAHWIDSAKQQ-UHFFFAOYSA-N 1 3 360.502 2.682 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC001255630928 1038090889 /nfs/dbraw/zinc/09/08/89/1038090889.db2.gz SKLOXYIAQNZPDY-XLIONFOSSA-N 1 3 366.509 2.757 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC001255630928 1038090906 /nfs/dbraw/zinc/09/09/06/1038090906.db2.gz SKLOXYIAQNZPDY-XLIONFOSSA-N 1 3 366.509 2.757 20 0 FFADHO Cc1cc(F)cc(CN(Cc2nc3c(s2)CNCC3)C2CC[NH2+]CC2)c1 ZINC001236484814 1038108956 /nfs/dbraw/zinc/10/89/56/1038108956.db2.gz WWWMOPXPCUJMMF-UHFFFAOYSA-N 1 3 374.529 2.991 20 0 FFADHO Fc1ccc(CN(Cc2ccc3n2CCNC3)C2CC[NH2+]CC2)c(F)c1 ZINC001236506950 1038113347 /nfs/dbraw/zinc/11/33/47/1038113347.db2.gz ULCMLLAZAOEINS-UHFFFAOYSA-N 1 3 360.452 2.624 20 0 FFADHO COc1cccnc1O[C@H]1CCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001236535563 1038121623 /nfs/dbraw/zinc/12/16/23/1038121623.db2.gz XAGDTWZQJPEYGY-IBGZPJMESA-N 1 3 353.466 2.779 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](Cc1cccc3occc31)CC2 ZINC001236736296 1038229476 /nfs/dbraw/zinc/22/94/76/1038229476.db2.gz DDBDSFWEEXDPCB-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1cccc3occc31)CC2 ZINC001236736296 1038229486 /nfs/dbraw/zinc/22/94/86/1038229486.db2.gz DDBDSFWEEXDPCB-UHFFFAOYSA-N 1 3 365.477 2.757 20 0 FFADHO COc1cccc(OC)c1CN1CCC([NH2+]CC[C@@H]2CCCN2C)CC1 ZINC001255925809 1038254846 /nfs/dbraw/zinc/25/48/46/1038254846.db2.gz TVLRPEQWXMZTCJ-SFHVURJKSA-N 1 3 361.530 2.742 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001255960026 1038273827 /nfs/dbraw/zinc/27/38/27/1038273827.db2.gz CQBBIEXGXYJZLP-CEMLEFRQSA-N 1 3 374.573 2.725 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447743 1038322519 /nfs/dbraw/zinc/32/25/19/1038322519.db2.gz OPUXLKDFXKCKPC-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@H]3[C@H](OCc4cccc(C)n4)CC[C@@H]32)CC1 ZINC001208596415 1038435560 /nfs/dbraw/zinc/43/55/60/1038435560.db2.gz NPYJIUCCGKZGOZ-BHDDXSALSA-N 1 3 373.541 2.870 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)CC1 ZINC001208600657 1038439365 /nfs/dbraw/zinc/43/93/65/1038439365.db2.gz WLOFWXSOBHKPJL-BHDDXSALSA-N 1 3 373.541 2.810 20 0 FFADHO CC(=O)N1CCC(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)CC1 ZINC001208676684 1038482967 /nfs/dbraw/zinc/48/29/67/1038482967.db2.gz FVUKYDCSRCWWNZ-UHFFFAOYSA-N 1 3 370.541 2.628 20 0 FFADHO CC(C)(C)OC(=O)N1CC[C@@H](OCC[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC001256566410 1038563023 /nfs/dbraw/zinc/56/30/23/1038563023.db2.gz TWLFDNLIRODXCO-QGZVFWFLSA-N 1 3 369.550 2.865 20 0 FFADHO COC1CC[NH+](C2CCN(C3CCN(Cc4ccncc4)CC3)CC2)CC1 ZINC001256597177 1038576077 /nfs/dbraw/zinc/57/60/77/1038576077.db2.gz NTPOWSJJDPVZJI-UHFFFAOYSA-N 1 3 372.557 2.621 20 0 FFADHO CC1=NC2(CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)C(=O)N1C ZINC001208946312 1038601081 /nfs/dbraw/zinc/60/10/81/1038601081.db2.gz URCJBVFUFCFTIV-FQEVSTJZSA-N 1 3 368.525 2.624 20 0 FFADHO CC1=NC2(CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)C(=O)N1C ZINC001208946312 1038601084 /nfs/dbraw/zinc/60/10/84/1038601084.db2.gz URCJBVFUFCFTIV-FQEVSTJZSA-N 1 3 368.525 2.624 20 0 FFADHO C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(N2CCOCC2)CC1 ZINC001256694675 1038605131 /nfs/dbraw/zinc/60/51/31/1038605131.db2.gz CJSFQDSVXBFVGF-DAWZGUTISA-N 1 3 367.534 2.571 20 0 FFADHO C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(N2CCOCC2)CC1 ZINC001256694675 1038605134 /nfs/dbraw/zinc/60/51/34/1038605134.db2.gz CJSFQDSVXBFVGF-DAWZGUTISA-N 1 3 367.534 2.571 20 0 FFADHO Cc1ccnc(O[C@H]2CC[N@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)n1 ZINC001208962062 1038608254 /nfs/dbraw/zinc/60/82/54/1038608254.db2.gz HECUETXLGUWMOB-UXHICEINSA-N 1 3 352.482 2.760 20 0 FFADHO Cc1ccnc(O[C@H]2CC[N@@H+](C[C@@H]3CCN(Cc4ccccc4)C3)C2)n1 ZINC001208962062 1038608258 /nfs/dbraw/zinc/60/82/58/1038608258.db2.gz HECUETXLGUWMOB-UXHICEINSA-N 1 3 352.482 2.760 20 0 FFADHO CCN1CC2(CC1=O)CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208962304 1038609350 /nfs/dbraw/zinc/60/93/50/1038609350.db2.gz JFXLYMCSWNYPED-FQEVSTJZSA-N 1 3 355.526 2.843 20 0 FFADHO CCN1CC2(CC1=O)CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208962304 1038609352 /nfs/dbraw/zinc/60/93/52/1038609352.db2.gz JFXLYMCSWNYPED-FQEVSTJZSA-N 1 3 355.526 2.843 20 0 FFADHO CC(C)(C)OC(=O)NCC1(C)CN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256864211 1038639414 /nfs/dbraw/zinc/63/94/14/1038639414.db2.gz GSEFWXPSSKZKLG-UHFFFAOYSA-N 1 3 360.502 2.897 20 0 FFADHO c1cncc(O[C@H]2COC3(C2)CC[NH+](CCCN2CCCCC2)CC3)c1 ZINC001209450362 1038878080 /nfs/dbraw/zinc/87/80/80/1038878080.db2.gz PTXMVANAXAJQTO-HXUWFJFHSA-N 1 3 359.514 2.960 20 0 FFADHO CN(C)CCC[N@H+](C)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251082624 1038934431 /nfs/dbraw/zinc/93/44/31/1038934431.db2.gz XPRXQGSYPLJWNA-INIZCTEOSA-N 1 3 355.482 2.944 20 0 FFADHO CN(C)CCC[N@@H+](C)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001251082624 1038934444 /nfs/dbraw/zinc/93/44/44/1038934444.db2.gz XPRXQGSYPLJWNA-INIZCTEOSA-N 1 3 355.482 2.944 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnccc3N)C[C@H]21 ZINC001209729872 1039165040 /nfs/dbraw/zinc/16/50/40/1039165040.db2.gz DAMAFOPQYHLVJT-OZOXKJRCSA-N 1 3 351.498 2.622 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cnccc3N)C[C@H]21 ZINC001209729872 1039165043 /nfs/dbraw/zinc/16/50/43/1039165043.db2.gz DAMAFOPQYHLVJT-OZOXKJRCSA-N 1 3 351.498 2.622 20 0 FFADHO Nc1cc[nH+]cc1CN1CC(c2ncn3cc(Br)ccc23)C1 ZINC001209735951 1039172420 /nfs/dbraw/zinc/17/24/20/1039172420.db2.gz BTGFFCCJSHFCKR-UHFFFAOYSA-N 1 3 358.243 2.504 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)CN[C@]2(C)CCC[NH2+]CC2)cc1 ZINC001245987856 1039176581 /nfs/dbraw/zinc/17/65/81/1039176581.db2.gz CQUONSOBFHMABJ-GHTZIAJQSA-N 1 3 362.514 2.624 20 0 FFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC001246012285 1039191829 /nfs/dbraw/zinc/19/18/29/1039191829.db2.gz XZFHHDFGPOBHES-DFQSSKMNSA-N 1 3 361.436 2.732 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)CN1CCCC[C@](C)(C[NH3+])C1 ZINC001246023961 1039198826 /nfs/dbraw/zinc/19/88/26/1039198826.db2.gz SUPDAQBXIHDHGX-YLJYHZDGSA-N 1 3 350.503 2.664 20 0 FFADHO O[C@]1(CN2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)CC[NH2+]C1 ZINC001246040248 1039211370 /nfs/dbraw/zinc/21/13/70/1039211370.db2.gz GUKFNCGBSGHBRW-JOCHJYFZSA-N 1 3 352.478 2.951 20 0 FFADHO c1ccc([C@H]2C[C@H](NCCN3CCN(c4ccccc4)CC3)CC[NH2+]2)cc1 ZINC001246195772 1039273673 /nfs/dbraw/zinc/27/36/73/1039273673.db2.gz PLJCKQIKPIXOLG-FYYLOGMGSA-N 1 3 364.537 2.892 20 0 FFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001251742314 1039282271 /nfs/dbraw/zinc/28/22/71/1039282271.db2.gz CZBAAKUTFQRJGS-NRFANRHFSA-N 1 3 369.509 2.632 20 0 FFADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246299779 1039302687 /nfs/dbraw/zinc/30/26/87/1039302687.db2.gz KUIRVZOIUOKBHL-FZKCQIBNSA-N 1 3 370.534 2.782 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(OC)cc3)CCNCC2)C1 ZINC001246381422 1039329853 /nfs/dbraw/zinc/32/98/53/1039329853.db2.gz QQLDYPDIRWGVCK-SJLPKXTDSA-N 1 3 360.498 2.985 20 0 FFADHO N[C@@]12C[C@@H]1CC[N@@H+](C1CCN(C(=O)c3ccc(F)c(Cl)c3)CC1)C2 ZINC001246650146 1039428515 /nfs/dbraw/zinc/42/85/15/1039428515.db2.gz HGYCUKMSPJWQIZ-SCLBCKFNSA-N 1 3 351.853 2.507 20 0 FFADHO N[C@@]12C[C@@H]1CC[N@H+](C1CCN(C(=O)c3ccc(F)c(Cl)c3)CC1)C2 ZINC001246650146 1039428519 /nfs/dbraw/zinc/42/85/19/1039428519.db2.gz HGYCUKMSPJWQIZ-SCLBCKFNSA-N 1 3 351.853 2.507 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]23CNC[C@@H](C[C@H]2C1)O3 ZINC001246687803 1039439735 /nfs/dbraw/zinc/43/97/35/1039439735.db2.gz WZILNPPECDMMDH-AETAKHFUSA-N 1 3 365.315 2.833 20 0 FFADHO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]23CNC[C@@H](C[C@H]2C1)O3 ZINC001246687803 1039439742 /nfs/dbraw/zinc/43/97/42/1039439742.db2.gz WZILNPPECDMMDH-AETAKHFUSA-N 1 3 365.315 2.833 20 0 FFADHO O=C1C[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CN1c1ccc(F)c(F)c1 ZINC001246767436 1039471212 /nfs/dbraw/zinc/47/12/12/1039471212.db2.gz RAHMTTKIJUCQCH-LXDBOHNASA-N 1 3 361.436 2.677 20 0 FFADHO C[C@H]1C[C@@H](N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC(C)(C)C1 ZINC001258695698 1039483766 /nfs/dbraw/zinc/48/37/66/1039483766.db2.gz FRNDWZWMCLJACL-LSDHHAIUSA-N 1 3 362.518 2.539 20 0 FFADHO CC[NH+]1CCC(N2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246804824 1039487017 /nfs/dbraw/zinc/48/70/17/1039487017.db2.gz HFJRJICSCVFBTC-QGZVFWFLSA-N 1 3 352.320 2.880 20 0 FFADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001258806849 1039522471 /nfs/dbraw/zinc/52/24/71/1039522471.db2.gz CETYSUGQGGEENE-HOJAQTOUSA-N 1 3 357.542 2.970 20 0 FFADHO CCC1(C[NH+]2CCC3(CCCN(Cc4cccc(=O)[nH]4)C3)CC2)COC1 ZINC001278472283 1039536842 /nfs/dbraw/zinc/53/68/42/1039536842.db2.gz HQHSVAQWLGUXST-UHFFFAOYSA-N 1 3 359.514 2.892 20 0 FFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426870 1039541726 /nfs/dbraw/zinc/54/17/26/1039541726.db2.gz LPKANXKHEKFXEI-DYESRHJHSA-N 1 3 357.542 2.844 20 0 FFADHO COc1ccc(C[N@H+](C2CCNCC2)[C@H]2CCN[C@@H](C(F)(F)F)C2)cc1 ZINC001246952342 1039547951 /nfs/dbraw/zinc/54/79/51/1039547951.db2.gz LABPHAULSGUFHC-FUHWJXTLSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(C[N@@H+](C2CCNCC2)[C@H]2CCN[C@@H](C(F)(F)F)C2)cc1 ZINC001246952342 1039547962 /nfs/dbraw/zinc/54/79/62/1039547962.db2.gz LABPHAULSGUFHC-FUHWJXTLSA-N 1 3 371.447 2.932 20 0 FFADHO COc1ccc(CN(C2CC[NH2+]CC2)[C@H]2CCN[C@@H](C(F)(F)F)C2)cc1 ZINC001246952342 1039547972 /nfs/dbraw/zinc/54/79/72/1039547972.db2.gz LABPHAULSGUFHC-FUHWJXTLSA-N 1 3 371.447 2.932 20 0 FFADHO CCCCOC[C@H](O)CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001252533409 1039586733 /nfs/dbraw/zinc/58/67/33/1039586733.db2.gz YBKYXQKEILGBAK-HXUWFJFHSA-N 1 3 373.541 2.942 20 0 FFADHO CCC[C@@H](O)C[NH+]1CCC2(C[C@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001252781988 1039700877 /nfs/dbraw/zinc/70/08/77/1039700877.db2.gz ZERJBUGVXDGNLW-WOJBJXKFSA-N 1 3 361.530 2.546 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210836040 1039764133 /nfs/dbraw/zinc/76/41/33/1039764133.db2.gz GRBPOZHGNPRETE-GOSISDBHSA-N 1 3 350.551 2.959 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+]C1CCN(Cc2cccc(Cl)c2)CC1 ZINC001253212045 1040047462 /nfs/dbraw/zinc/04/74/62/1040047462.db2.gz LKHLYKOJGTWAAR-IBGZPJMESA-N 1 3 353.938 2.597 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNCC1(c2ccc(Cl)cc2)CCOCC1 ZINC001253215569 1040051436 /nfs/dbraw/zinc/05/14/36/1040051436.db2.gz YOCOOSDRFCUVIR-GOSISDBHSA-N 1 3 354.922 2.681 20 0 FFADHO CC[NH+](CC)C[C@H](O)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC001253215630 1040051493 /nfs/dbraw/zinc/05/14/93/1040051493.db2.gz ZPGAJKADKJMZTM-DLBZAZTESA-N 1 3 355.320 2.599 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNC1(Cc2cccc(Cl)c2)CCOCC1 ZINC001253213908 1040051694 /nfs/dbraw/zinc/05/16/94/1040051694.db2.gz MMPNRSXBMKTIKW-GOSISDBHSA-N 1 3 354.922 2.724 20 0 FFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CO[C@@]4(C3)CCC[NH2+]CC4)n2)cc1 ZINC001247928122 1040057434 /nfs/dbraw/zinc/05/74/34/1040057434.db2.gz NSWNDNFVEZWNMD-PXNSSMCTSA-N 1 3 356.470 2.814 20 0 FFADHO CN(C)Cc1ccc(-c2noc([C@H]3CO[C@]4(C3)CCC[NH2+]CC4)n2)cc1 ZINC001247928128 1040057854 /nfs/dbraw/zinc/05/78/54/1040057854.db2.gz NSWNDNFVEZWNMD-YLJYHZDGSA-N 1 3 356.470 2.814 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001248468561 1040288847 /nfs/dbraw/zinc/28/88/47/1040288847.db2.gz LSKQWTGLKACTHF-DZFGPLHGSA-N 1 3 362.562 2.624 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001248468561 1040288863 /nfs/dbraw/zinc/28/88/63/1040288863.db2.gz LSKQWTGLKACTHF-DZFGPLHGSA-N 1 3 362.562 2.624 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccccc2OC(C)C)CC1 ZINC001254027155 1040528883 /nfs/dbraw/zinc/52/88/83/1040528883.db2.gz HJOZXLNNEPZKPD-IBGZPJMESA-N 1 3 364.530 2.924 20 0 FFADHO OC1(CN2CCC[C@@H]2c2cnccn2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038631 1040537802 /nfs/dbraw/zinc/53/78/02/1040537802.db2.gz LBIXMDRJPVOPII-HXUWFJFHSA-N 1 3 352.482 2.641 20 0 FFADHO OC1(C[N@@H+]2CCC[C@@H]2c2cnccn2)CCN(Cc2ccccc2)CC1 ZINC001254038631 1040537817 /nfs/dbraw/zinc/53/78/17/1040537817.db2.gz LBIXMDRJPVOPII-HXUWFJFHSA-N 1 3 352.482 2.641 20 0 FFADHO OC1(C[N@H+]2CCC[C@@H]2c2cnccn2)CCN(Cc2ccccc2)CC1 ZINC001254038631 1040537834 /nfs/dbraw/zinc/53/78/34/1040537834.db2.gz LBIXMDRJPVOPII-HXUWFJFHSA-N 1 3 352.482 2.641 20 0 FFADHO Cc1nnc([C@H]2CCC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)o1 ZINC001254043098 1040545079 /nfs/dbraw/zinc/54/50/79/1040545079.db2.gz YXDUNBHEJPCKPI-IBGZPJMESA-N 1 3 370.497 2.585 20 0 FFADHO Cc1nnc([C@H]2CCC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)o1 ZINC001254043098 1040545095 /nfs/dbraw/zinc/54/50/95/1040545095.db2.gz YXDUNBHEJPCKPI-IBGZPJMESA-N 1 3 370.497 2.585 20 0 FFADHO NCCC[NH2+]CCCCn1cc(COc2ccc(Cl)cc2Cl)nn1 ZINC001254162631 1040591587 /nfs/dbraw/zinc/59/15/87/1040591587.db2.gz GADWTRAGFCJBLF-UHFFFAOYSA-N 1 3 372.300 2.883 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254518574 1040762980 /nfs/dbraw/zinc/76/29/80/1040762980.db2.gz OFMSWNYLDDBQSW-RBUKOAKNSA-N 1 3 361.530 2.819 20 0 FFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254518574 1040762992 /nfs/dbraw/zinc/76/29/92/1040762992.db2.gz OFMSWNYLDDBQSW-RBUKOAKNSA-N 1 3 361.530 2.819 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254520870 1040771652 /nfs/dbraw/zinc/77/16/52/1040771652.db2.gz YZRPTICEHCEJGR-RTWAWAEBSA-N 1 3 372.557 2.621 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254520870 1040771662 /nfs/dbraw/zinc/77/16/62/1040771662.db2.gz YZRPTICEHCEJGR-RTWAWAEBSA-N 1 3 372.557 2.621 20 0 FFADHO CN1CCC[C@@H]([NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)CC1 ZINC001254522019 1040774469 /nfs/dbraw/zinc/77/44/69/1040774469.db2.gz LQGVMWVZXOGSSM-HXUWFJFHSA-N 1 3 370.541 2.884 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@H]1OC ZINC001213763308 1040885348 /nfs/dbraw/zinc/88/53/48/1040885348.db2.gz OACAQQKWUASHIG-MISYRCLQSA-N 1 3 361.530 2.603 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2ccccc2C)C[C@H]1OC ZINC001213763308 1040885361 /nfs/dbraw/zinc/88/53/61/1040885361.db2.gz OACAQQKWUASHIG-MISYRCLQSA-N 1 3 361.530 2.603 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(c4ncccn4)C2)C3)cc1 ZINC001255123311 1041159610 /nfs/dbraw/zinc/15/96/10/1041159610.db2.gz RRGYNTQFQPSHLF-MXEMCNAFSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(c4ncccn4)C2)C3)cc1 ZINC001255123311 1041159614 /nfs/dbraw/zinc/15/96/14/1041159614.db2.gz RRGYNTQFQPSHLF-MXEMCNAFSA-N 1 3 363.509 2.841 20 0 FFADHO CN(C)C(=O)N1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255128592 1041161777 /nfs/dbraw/zinc/16/17/77/1041161777.db2.gz DXBSRDFVNCIZBS-MXEMCNAFSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)C(=O)N1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255128592 1041161783 /nfs/dbraw/zinc/16/17/83/1041161783.db2.gz DXBSRDFVNCIZBS-MXEMCNAFSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)C(=O)N1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255128591 1041162115 /nfs/dbraw/zinc/16/21/15/1041162115.db2.gz DXBSRDFVNCIZBS-BURNTYAHSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)C(=O)N1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255128591 1041162123 /nfs/dbraw/zinc/16/21/23/1041162123.db2.gz DXBSRDFVNCIZBS-BURNTYAHSA-N 1 3 370.541 2.918 20 0 FFADHO c1ccc(CN2CCC[C@H]([N@@H+]3CC[C@@H](Oc4cnccn4)C3)CC2)cc1 ZINC001255410530 1041329080 /nfs/dbraw/zinc/32/90/80/1041329080.db2.gz YNYVNIGSPQROOZ-VQTJNVASSA-N 1 3 352.482 2.984 20 0 FFADHO c1ccc(CN2CCC[C@H]([N@H+]3CC[C@@H](Oc4cnccn4)C3)CC2)cc1 ZINC001255410530 1041329096 /nfs/dbraw/zinc/32/90/96/1041329096.db2.gz YNYVNIGSPQROOZ-VQTJNVASSA-N 1 3 352.482 2.984 20 0 FFADHO FC(F)CN1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC001261600312 1041332206 /nfs/dbraw/zinc/33/22/06/1041332206.db2.gz AFVDMKVBWQLZHF-UHFFFAOYSA-N 1 3 352.473 2.613 20 0 FFADHO C[C@H](CCc1cccnc1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001261852505 1041446893 /nfs/dbraw/zinc/44/68/93/1041446893.db2.gz FWLHLSXBLPJGGK-LJQANCHMSA-N 1 3 352.526 2.940 20 0 FFADHO C[C@@H](CCc1cccnc1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001261852504 1041446910 /nfs/dbraw/zinc/44/69/10/1041446910.db2.gz FWLHLSXBLPJGGK-IBGZPJMESA-N 1 3 352.526 2.940 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC001214634195 1041512578 /nfs/dbraw/zinc/51/25/78/1041512578.db2.gz FCXOYJMRIYBZMT-CEXWTWQISA-N 1 3 365.562 2.504 20 0 FFADHO CCO[C@@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C)C1CC1 ZINC001214634447 1041513454 /nfs/dbraw/zinc/51/34/54/1041513454.db2.gz OINVYGWQYWHDFD-QRQLOZEOSA-N 1 3 365.562 2.503 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001214997870 1041638489 /nfs/dbraw/zinc/63/84/89/1041638489.db2.gz NEMDVMWHRYATQO-OXQOHEQNSA-N 1 3 357.542 2.842 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416261 1041775562 /nfs/dbraw/zinc/77/55/62/1041775562.db2.gz RWFQMJONGZERMJ-CRAIPNDOSA-N 1 3 363.933 2.927 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCCCCC2)C1)N(C)C ZINC001215474591 1041797494 /nfs/dbraw/zinc/79/74/94/1041797494.db2.gz ZWUPKHALYXFXPU-MISYRCLQSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778180 1041879612 /nfs/dbraw/zinc/87/96/12/1041879612.db2.gz CTHIDDNBTAQLCC-GUDVDZBRSA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCC2CCC2)C1 ZINC001215778674 1041880498 /nfs/dbraw/zinc/88/04/98/1041880498.db2.gz WZSSRDGMAYINRB-MISYRCLQSA-N 1 3 365.562 2.503 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2scnc2C)C1)C(C)C ZINC001215977254 1041921829 /nfs/dbraw/zinc/92/18/29/1041921829.db2.gz LLXHHHFXKXLFQX-KYJSFNMBSA-N 1 3 366.575 2.754 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CCN1CCOCC1CC1 ZINC001264066380 1042610356 /nfs/dbraw/zinc/61/03/56/1042610356.db2.gz IYFZSQGTJWRYAS-VQTJNVASSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)CC[C@@H]2C1)N(C)C ZINC001264099848 1042625018 /nfs/dbraw/zinc/62/50/18/1042625018.db2.gz QUWRGWWZSVZUOS-PMPSAXMXSA-N 1 3 363.468 2.840 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCCC(F)(F)F)CC[C@@H]2C1)N(C)C ZINC001264099848 1042625020 /nfs/dbraw/zinc/62/50/20/1042625020.db2.gz QUWRGWWZSVZUOS-PMPSAXMXSA-N 1 3 363.468 2.840 20 0 FFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H](NCc3cc(F)ccc3F)C2)CC1 ZINC001264476290 1042688113 /nfs/dbraw/zinc/68/81/13/1042688113.db2.gz NBSVBGRIRZANEP-WMLDXEAASA-N 1 3 365.468 2.681 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc4nccn4c3)C2)C1 ZINC001279127027 1042910072 /nfs/dbraw/zinc/91/00/72/1042910072.db2.gz YHUXTIKZPLGARQ-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccc4nccn4c3)C2)C1 ZINC001279127027 1042910076 /nfs/dbraw/zinc/91/00/76/1042910076.db2.gz YHUXTIKZPLGARQ-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CSc1ncc(CN2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c(N)n1 ZINC001279246354 1042964125 /nfs/dbraw/zinc/96/41/25/1042964125.db2.gz OIJZMJQRDDWFDM-GASCZTMLSA-N 1 3 361.559 2.867 20 0 FFADHO CSc1ncc(CN2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c(N)n1 ZINC001279246354 1042964127 /nfs/dbraw/zinc/96/41/27/1042964127.db2.gz OIJZMJQRDDWFDM-GASCZTMLSA-N 1 3 361.559 2.867 20 0 FFADHO O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@H+](CCCN1CCCCC1)C2 ZINC001279275493 1042978871 /nfs/dbraw/zinc/97/88/71/1042978871.db2.gz QTWFUDKCKBDODS-OALUTQOASA-N 1 3 361.555 2.699 20 0 FFADHO O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@@H+](CCCN1CCCCC1)C2 ZINC001279275493 1042978874 /nfs/dbraw/zinc/97/88/74/1042978874.db2.gz QTWFUDKCKBDODS-OALUTQOASA-N 1 3 361.555 2.699 20 0 FFADHO COC(=O)c1ccc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)[nH]1 ZINC001279462514 1043143997 /nfs/dbraw/zinc/14/39/97/1043143997.db2.gz NOYMYKNXLZWRHW-UXHICEINSA-N 1 3 356.470 2.854 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2cc3cc(Cl)ccc3[nH]2)CCC12C[NH2+]C2 ZINC001237429431 1043154610 /nfs/dbraw/zinc/15/46/10/1043154610.db2.gz HQLLXKGEMVGTBY-MRXNPFEDSA-N 1 3 361.873 2.796 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2ccnc3c(Cl)cccc23)CCC12C[NH2+]C2 ZINC001237431700 1043156403 /nfs/dbraw/zinc/15/64/03/1043156403.db2.gz QKXPLQDYGLFVAP-MRXNPFEDSA-N 1 3 373.884 2.863 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c(Cl)[nH]c4cnccc43)CC2)CC1 ZINC001237463940 1043180038 /nfs/dbraw/zinc/18/00/38/1043180038.db2.gz BCBIJDBMCUQUQM-UHFFFAOYSA-N 1 3 361.921 2.676 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C[C@@H]3CCC[N@H+](C)C3)C[C@H](C1)O2 ZINC001279501136 1043194356 /nfs/dbraw/zinc/19/43/56/1043194356.db2.gz CSBYKVBRCBMJMU-NCYKPQTJSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@H](C1)O2 ZINC001279501136 1043194358 /nfs/dbraw/zinc/19/43/58/1043194358.db2.gz CSBYKVBRCBMJMU-NCYKPQTJSA-N 1 3 351.579 2.930 20 0 FFADHO Cn1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c(C2CC2)n1 ZINC001279551490 1043247993 /nfs/dbraw/zinc/24/79/93/1043247993.db2.gz OGHCEVXBYXMENV-HDICACEKSA-N 1 3 353.514 2.970 20 0 FFADHO Cn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c(C2CC2)n1 ZINC001279551490 1043247998 /nfs/dbraw/zinc/24/79/98/1043247998.db2.gz OGHCEVXBYXMENV-HDICACEKSA-N 1 3 353.514 2.970 20 0 FFADHO COc1cccc(C[NH+]2CCC3(CCN(Cc4nnc[nH]4)CC3)CC2)c1 ZINC001237599481 1043263230 /nfs/dbraw/zinc/26/32/30/1043263230.db2.gz KDGNLEYWJHSCDZ-UHFFFAOYSA-N 1 3 355.486 2.692 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCCC2(CCN(Cc3cnccc3Cl)CC2)C1 ZINC001279656508 1043412656 /nfs/dbraw/zinc/41/26/56/1043412656.db2.gz ZCPJKQYTXIABMQ-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCCC2(CCN(Cc3cnccc3Cl)CC2)C1 ZINC001279656508 1043412662 /nfs/dbraw/zinc/41/26/62/1043412662.db2.gz ZCPJKQYTXIABMQ-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(-n4ccnc4)c(Cl)c3)[C@@H]2C1 ZINC001279659445 1043418637 /nfs/dbraw/zinc/41/86/37/1043418637.db2.gz SDBIDBONJLDDIZ-FXAWDEMLSA-N 1 3 373.932 2.593 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc(-n4ccnc4)c(Cl)c3)[C@@H]2C1 ZINC001279659445 1043418643 /nfs/dbraw/zinc/41/86/43/1043418643.db2.gz SDBIDBONJLDDIZ-FXAWDEMLSA-N 1 3 373.932 2.593 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc4nccc(Cl)c4c3)[C@@H]2C1 ZINC001279704574 1043498192 /nfs/dbraw/zinc/49/81/92/1043498192.db2.gz PKGREKRAOBSMFG-OXJNMPFZSA-N 1 3 358.917 2.956 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc4nccc(Cl)c4c3)[C@@H]2C1 ZINC001279704574 1043498196 /nfs/dbraw/zinc/49/81/96/1043498196.db2.gz PKGREKRAOBSMFG-OXJNMPFZSA-N 1 3 358.917 2.956 20 0 FFADHO CCSc1ncc2cccc(CN3CC[C@H]4CN(CC[NH+](C)C)C[C@H]43)n21 ZINC001279723518 1043530050 /nfs/dbraw/zinc/53/00/50/1043530050.db2.gz LKLACYXCMREKKR-QFBILLFUSA-N 1 3 373.570 2.514 20 0 FFADHO O=C(NCC(F)F)C1CC[NH+](C2CCN(CC3CCCC3)CC2)CC1 ZINC001279882396 1043842491 /nfs/dbraw/zinc/84/24/91/1043842491.db2.gz SWRYBCAUOLGLKJ-UHFFFAOYSA-N 1 3 357.489 2.734 20 0 FFADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001311577521 1043941573 /nfs/dbraw/zinc/94/15/73/1043941573.db2.gz VBBMBNDGLLLKLH-INIZCTEOSA-N 1 3 364.559 2.916 20 0 FFADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC001311577521 1043941578 /nfs/dbraw/zinc/94/15/78/1043941578.db2.gz VBBMBNDGLLLKLH-INIZCTEOSA-N 1 3 364.559 2.916 20 0 FFADHO Cc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCC([NH+](C)C)CC3)CC2)o1 ZINC001279936841 1043949835 /nfs/dbraw/zinc/94/98/35/1043949835.db2.gz RNCGLJWMIUMXHC-LJQANCHMSA-N 1 3 359.514 2.743 20 0 FFADHO Cc1ccc(CN2CC[C@H]3C[C@]32C(=O)N2CCC([NH+](C)C)CC2)c(C)c1 ZINC001279993175 1044054648 /nfs/dbraw/zinc/05/46/48/1044054648.db2.gz OMJZCFYOOONECI-SIKLNZKXSA-N 1 3 355.526 2.820 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(Cc1ccc(C)cc1C)C2 ZINC001279993865 1044056591 /nfs/dbraw/zinc/05/65/91/1044056591.db2.gz UQWCNJMDRZQPGT-FQEVSTJZSA-N 1 3 357.542 2.926 20 0 FFADHO CC[N@H+](CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C)C1CCCCC1 ZINC001312964068 1044199625 /nfs/dbraw/zinc/19/96/25/1044199625.db2.gz NGJPWSSDSCNDDK-OALUTQOASA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@@H+](CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C)C1CCCCC1 ZINC001312964068 1044199629 /nfs/dbraw/zinc/19/96/29/1044199629.db2.gz NGJPWSSDSCNDDK-OALUTQOASA-N 1 3 350.551 2.909 20 0 FFADHO c1cn(CCN2CC3(C2)CC[NH+](CCCOc2ccccc2)CC3)cn1 ZINC001280157738 1044320181 /nfs/dbraw/zinc/32/01/81/1044320181.db2.gz HEBPDOHLHFBLSW-UHFFFAOYSA-N 1 3 354.498 2.750 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)cc(N2CCCC2)c1 ZINC001280174884 1044351222 /nfs/dbraw/zinc/35/12/22/1044351222.db2.gz HWMMEZJGINGGFJ-SFTDATJTSA-N 1 3 360.521 2.636 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)cc(N2CCCC2)c1 ZINC001280174884 1044351238 /nfs/dbraw/zinc/35/12/38/1044351238.db2.gz HWMMEZJGINGGFJ-SFTDATJTSA-N 1 3 360.521 2.636 20 0 FFADHO Cc1cc(CN2CCCC3(CCN(CC[NH+]4CCCC4)CC3)C2)n(C)n1 ZINC001280224771 1044422111 /nfs/dbraw/zinc/42/21/11/1044422111.db2.gz VBODUJBACKXPKD-UHFFFAOYSA-N 1 3 359.562 2.502 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CC[N@H+](CC)C2)C[C@@H]1C ZINC001313893461 1044440164 /nfs/dbraw/zinc/44/01/64/1044440164.db2.gz OJVDZQCYXXDVOF-KSZLIROESA-N 1 3 374.577 2.806 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2C[C@H]2CC[N@@H+](CC)C2)C[C@@H]1C ZINC001313893461 1044440165 /nfs/dbraw/zinc/44/01/65/1044440165.db2.gz OJVDZQCYXXDVOF-KSZLIROESA-N 1 3 374.577 2.806 20 0 FFADHO CN1CCN(c2ccc(-c3ccccc3CN3CC[NH2+]CC3)cc2)CC1 ZINC001240854213 1044450697 /nfs/dbraw/zinc/45/06/97/1044450697.db2.gz GTQIWYXJDPJUPJ-UHFFFAOYSA-N 1 3 350.510 2.511 20 0 FFADHO CC(C)Oc1cncc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001280337720 1044628529 /nfs/dbraw/zinc/62/85/29/1044628529.db2.gz VFJLEIKEHCOCCB-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO CC(C)Oc1cncc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001280337720 1044628538 /nfs/dbraw/zinc/62/85/38/1044628538.db2.gz VFJLEIKEHCOCCB-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)CC2)CC1 ZINC001318543786 1044740940 /nfs/dbraw/zinc/74/09/40/1044740940.db2.gz CETBBILCQZDCAW-GMNCBBECSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(NCc3nccs3)CC2)CC[N@@H+]1C ZINC001281004438 1044792465 /nfs/dbraw/zinc/79/24/65/1044792465.db2.gz OIZCDPIMLKBQJH-JKSUJKDBSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(NCc3nccs3)CC2)CC[N@H+]1C ZINC001281004438 1044792479 /nfs/dbraw/zinc/79/24/79/1044792479.db2.gz OIZCDPIMLKBQJH-JKSUJKDBSA-N 1 3 364.559 2.734 20 0 FFADHO Cc1ccc(F)c(CNC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001318698693 1044815579 /nfs/dbraw/zinc/81/55/79/1044815579.db2.gz ONKGJVWYLYZMAH-FQELHTAISA-N 1 3 361.505 2.849 20 0 FFADHO Cc1ccc(F)c(CNC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c1 ZINC001318698693 1044815592 /nfs/dbraw/zinc/81/55/92/1044815592.db2.gz ONKGJVWYLYZMAH-FQELHTAISA-N 1 3 361.505 2.849 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001318716194 1044833661 /nfs/dbraw/zinc/83/36/61/1044833661.db2.gz BAFYKAYMSJQMHC-WOJBJXKFSA-N 1 3 372.557 2.995 20 0 FFADHO Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c1 ZINC001316760206 1044922608 /nfs/dbraw/zinc/92/26/08/1044922608.db2.gz LGALRRFJQKISQK-MJGOQNOKSA-N 1 3 361.505 2.755 20 0 FFADHO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c1 ZINC001316760206 1044922618 /nfs/dbraw/zinc/92/26/18/1044922618.db2.gz LGALRRFJQKISQK-MJGOQNOKSA-N 1 3 361.505 2.755 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319008496 1044980501 /nfs/dbraw/zinc/98/05/01/1044980501.db2.gz FGBVFXRAGYQIIN-IRXDYDNUSA-N 1 3 352.548 2.694 20 0 FFADHO CN1CCN(c2cccc(-c3ccc(N4CC[C@H]([NH+](C)C)C4)nc3)c2)CC1 ZINC001243671298 1044990616 /nfs/dbraw/zinc/99/06/16/1044990616.db2.gz MIWRXGZGRICNHL-NRFANRHFSA-N 1 3 365.525 2.641 20 0 FFADHO Cc1ccc([C@H](O)C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001325841059 1046658145 /nfs/dbraw/zinc/65/81/45/1046658145.db2.gz VNFCLELYZGMQIE-JOCHJYFZSA-N 1 3 353.510 2.566 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC001326688814 1047036812 /nfs/dbraw/zinc/03/68/12/1047036812.db2.gz YFMYYJLNUUUABO-LEWJYISDSA-N 1 3 372.557 2.531 20 0 FFADHO CCOC(=O)c1cc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC001332435961 1048393381 /nfs/dbraw/zinc/39/33/81/1048393381.db2.gz LIGDNNNCEWIQRX-WMZOPIPTSA-N 1 3 370.497 2.977 20 0 FFADHO CCOC(=O)c1cc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC001332435961 1048393391 /nfs/dbraw/zinc/39/33/91/1048393391.db2.gz LIGDNNNCEWIQRX-WMZOPIPTSA-N 1 3 370.497 2.977 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCC1)C1C[NH+](C2CCCCC2)C1 ZINC001540782007 1070994105 /nfs/dbraw/zinc/99/41/05/1070994105.db2.gz UEHJCCUCXAYMTJ-UHFFFAOYSA-N 1 3 365.587 2.729 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCN3CCc4ccccc4C3)C[N@@H+]2C1 ZINC001540850814 1071021987 /nfs/dbraw/zinc/02/19/87/1071021987.db2.gz MUYIWVMVEARILC-QMMLZNLJSA-N 1 3 355.526 2.671 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCN3CCc4ccccc4C3)C[N@H+]2C1 ZINC001540850814 1071022006 /nfs/dbraw/zinc/02/20/06/1071022006.db2.gz MUYIWVMVEARILC-QMMLZNLJSA-N 1 3 355.526 2.671 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)N(C)C)cc1 ZINC001333698286 1049063052 /nfs/dbraw/zinc/06/30/52/1049063052.db2.gz UXIMABCJKLEVEX-WOZUAGRISA-N 1 3 372.557 2.969 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc(Cl)n1 ZINC001330918724 1049390954 /nfs/dbraw/zinc/39/09/54/1049390954.db2.gz UZRLWRCDWVUEIR-YOEHRIQHSA-N 1 3 373.888 2.566 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCN(C)C1 ZINC001294199341 1049707247 /nfs/dbraw/zinc/70/72/47/1049707247.db2.gz UDEGZWFVPYCYBP-UXHICEINSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCN(C)C1 ZINC001294199341 1049707255 /nfs/dbraw/zinc/70/72/55/1049707255.db2.gz UDEGZWFVPYCYBP-UXHICEINSA-N 1 3 355.526 2.841 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)c1csc([C@@H](C)N)n1)N1CCCC1 ZINC001341629719 1050256269 /nfs/dbraw/zinc/25/62/69/1050256269.db2.gz JFVSHLHQRBXILI-CJNGLKHVSA-N 1 3 374.510 2.738 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)c1csc([C@@H](C)N)n1)[NH+]1CCCC1 ZINC001341629719 1050256276 /nfs/dbraw/zinc/25/62/76/1050256276.db2.gz JFVSHLHQRBXILI-CJNGLKHVSA-N 1 3 374.510 2.738 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001341639211 1050266000 /nfs/dbraw/zinc/26/60/00/1050266000.db2.gz ZTMGJZNTHQUHAL-ROUUACIJSA-N 1 3 357.498 2.621 20 0 FFADHO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC001340091314 1050495004 /nfs/dbraw/zinc/49/50/04/1050495004.db2.gz RQQSUSAIEQMPNU-UHFFFAOYSA-N 1 3 369.465 2.751 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)OCCNC2 ZINC001340154803 1050559288 /nfs/dbraw/zinc/55/92/88/1050559288.db2.gz LGENEQLOCPIRMN-UHFFFAOYSA-N 1 3 367.493 2.939 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)OCCNC2 ZINC001340154803 1050559294 /nfs/dbraw/zinc/55/92/94/1050559294.db2.gz LGENEQLOCPIRMN-UHFFFAOYSA-N 1 3 367.493 2.939 20 0 FFADHO [NH3+]CC1(CC(=O)N2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)CCCCC1 ZINC001342000454 1050596861 /nfs/dbraw/zinc/59/68/61/1050596861.db2.gz KZQDKXBYWJKQGZ-QZTJIDSGSA-N 1 3 371.525 2.795 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(Cl)n1 ZINC000841851382 1050688513 /nfs/dbraw/zinc/68/85/13/1050688513.db2.gz SGJLITSHNYRJJR-SQNIBIBYSA-N 1 3 372.900 2.634 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)C1(C2CC[NH2+]CC2)CC1 ZINC001342307903 1050904220 /nfs/dbraw/zinc/90/42/20/1050904220.db2.gz RSOOUBQQANNSNR-HXUWFJFHSA-N 1 3 355.526 2.937 20 0 FFADHO C[C@H](C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCCCCC1 ZINC001342984828 1051601071 /nfs/dbraw/zinc/60/10/71/1051601071.db2.gz ROMDAFDVEHZNPV-HGHGUNKESA-N 1 3 357.498 2.623 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001306339463 1052100482 /nfs/dbraw/zinc/10/04/82/1052100482.db2.gz NVLMUKPSBIXUGH-WOJBJXKFSA-N 1 3 364.493 2.689 20 0 FFADHO CC1CCC(N2CCN(C(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)CC2)CC1 ZINC001306574757 1052146652 /nfs/dbraw/zinc/14/66/52/1052146652.db2.gz ZWGZWEDWOCTGKD-XBMUEBEBSA-N 1 3 356.514 2.631 20 0 FFADHO COC(=O)CCC[NH+]1CCC(N[C@@H](C)c2cc(F)ccc2N(C)C)CC1 ZINC001308988112 1052532894 /nfs/dbraw/zinc/53/28/94/1052532894.db2.gz PZCWAPFRYBNIHG-HNNXBMFYSA-N 1 3 365.493 2.960 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC[C@@H](Cc4ccccc4)C3=O)C[C@@H]2C1 ZINC001335251888 1053270072 /nfs/dbraw/zinc/27/00/72/1053270072.db2.gz GGWCKWNUNHMWRM-JSXRDJHFSA-N 1 3 355.526 2.697 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)Nc2ccccc2F)C[C@H](C)O1 ZINC001335351567 1053310605 /nfs/dbraw/zinc/31/06/05/1053310605.db2.gz RDGCDLPBJQZCLR-IYBDPMFKSA-N 1 3 351.466 2.633 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)N(C)C)cc1 ZINC001335539332 1053421350 /nfs/dbraw/zinc/42/13/50/1053421350.db2.gz RUFPYIVEEWIYAH-HFTRVMKXSA-N 1 3 364.559 2.638 20 0 FFADHO O[C@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1ccc(Cl)cc1Cl ZINC001336839081 1054273476 /nfs/dbraw/zinc/27/34/76/1054273476.db2.gz JLBHMIVGQDPOCK-QLFBSQMISA-N 1 3 359.297 2.950 20 0 FFADHO O=C(NC1CCN(c2cc[nH+]cc2)CC1)N1CCN(C2CCCCC2)CC1 ZINC001352054597 1055159094 /nfs/dbraw/zinc/15/90/94/1055159094.db2.gz HOHJUPGKOBQSAZ-UHFFFAOYSA-N 1 3 371.529 2.710 20 0 FFADHO Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001338380733 1055462587 /nfs/dbraw/zinc/46/25/87/1055462587.db2.gz LGLYKBDPFLMXFA-LJQANCHMSA-N 1 3 374.577 2.717 20 0 FFADHO Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001338380733 1055462596 /nfs/dbraw/zinc/46/25/96/1055462596.db2.gz LGLYKBDPFLMXFA-LJQANCHMSA-N 1 3 374.577 2.717 20 0 FFADHO Cc1nccn1-c1ccccc1CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001356533255 1055560684 /nfs/dbraw/zinc/56/06/84/1055560684.db2.gz PJKRDWVAVHJEOZ-OAQYLSRUSA-N 1 3 364.493 2.763 20 0 FFADHO Cc1nccn1-c1ccccc1CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001356533255 1055560691 /nfs/dbraw/zinc/56/06/91/1055560691.db2.gz PJKRDWVAVHJEOZ-OAQYLSRUSA-N 1 3 364.493 2.763 20 0 FFADHO CC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC001356569628 1055589086 /nfs/dbraw/zinc/58/90/86/1055589086.db2.gz HGTMJXMPBCZYAE-ZDUSSCGKSA-N 1 3 354.292 2.709 20 0 FFADHO CC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC001356569628 1055589094 /nfs/dbraw/zinc/58/90/94/1055589094.db2.gz HGTMJXMPBCZYAE-ZDUSSCGKSA-N 1 3 354.292 2.709 20 0 FFADHO CCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC001356569628 1055589108 /nfs/dbraw/zinc/58/91/08/1055589108.db2.gz HGTMJXMPBCZYAE-ZDUSSCGKSA-N 1 3 354.292 2.709 20 0 FFADHO [NH2+]=C(NCc1ccc2c(c1)OCO2)NC1CCN(Cc2ccccc2)CC1 ZINC000849056691 1055609187 /nfs/dbraw/zinc/60/91/87/1055609187.db2.gz CMQPMISRLIUHQF-UHFFFAOYSA-N 1 3 366.465 2.694 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001357337877 1055868984 /nfs/dbraw/zinc/86/89/84/1055868984.db2.gz NHBWBURGLPRIIA-INIZCTEOSA-N 1 3 369.431 2.872 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1CC([NH3+])C1 ZINC001357472786 1055914912 /nfs/dbraw/zinc/91/49/12/1055914912.db2.gz UXHILRFRJMRNMM-UHFFFAOYSA-N 1 3 357.420 2.723 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001357856444 1056040917 /nfs/dbraw/zinc/04/09/17/1056040917.db2.gz PBBONVHQPKNZEZ-OALUTQOASA-N 1 3 357.498 2.846 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC001353253845 1056228919 /nfs/dbraw/zinc/22/89/19/1056228919.db2.gz GAFKHGQCCLTFAN-IKGGRYGDSA-N 1 3 364.559 2.948 20 0 FFADHO CC(C)(C)[C@H]([NH3+])CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001353557635 1056532631 /nfs/dbraw/zinc/53/26/31/1056532631.db2.gz BRYUDNMIUDJPKP-GOSISDBHSA-N 1 3 365.493 2.549 20 0 FFADHO CN(C(=S)NCCN1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001200421602 1056651373 /nfs/dbraw/zinc/65/13/73/1056651373.db2.gz MGBITOHMYFZBTQ-UHFFFAOYSA-N 1 3 374.598 2.943 20 0 FFADHO COc1ccccc1CNC(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849101771 1056760729 /nfs/dbraw/zinc/76/07/29/1056760729.db2.gz MJOPFWZVPXXBFR-UHFFFAOYSA-N 1 3 374.529 2.733 20 0 FFADHO CC1(C)C[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849116888 1056769842 /nfs/dbraw/zinc/76/98/42/1056769842.db2.gz ZQLNORFSTIBWKW-SFHVURJKSA-N 1 3 358.530 2.970 20 0 FFADHO CC1(C)C[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849116886 1056770503 /nfs/dbraw/zinc/77/05/03/1056770503.db2.gz ZQLNORFSTIBWKW-GOSISDBHSA-N 1 3 358.530 2.970 20 0 FFADHO Cc1onc(-c2cccs2)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001353740570 1058168125 /nfs/dbraw/zinc/16/81/25/1058168125.db2.gz PAKKCIWIMUZRTL-ZDUSSCGKSA-N 1 3 364.515 2.713 20 0 FFADHO Cc1onc(-c2cccs2)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001353740570 1058168122 /nfs/dbraw/zinc/16/81/22/1058168122.db2.gz PAKKCIWIMUZRTL-ZDUSSCGKSA-N 1 3 364.515 2.713 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001498835824 1058183168 /nfs/dbraw/zinc/18/31/68/1058183168.db2.gz RISLJFLQZFJGPX-RCCFBDPRSA-N 1 3 362.566 2.634 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCCN1CCCCC1 ZINC001200445822 1058210397 /nfs/dbraw/zinc/21/03/97/1058210397.db2.gz ZVBGIIZLLPFEHP-ICSRJNTNSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCCN1CCCCC1 ZINC001200445822 1058210403 /nfs/dbraw/zinc/21/04/03/1058210403.db2.gz ZVBGIIZLLPFEHP-ICSRJNTNSA-N 1 3 374.598 2.847 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001499134305 1058246997 /nfs/dbraw/zinc/24/69/97/1058246997.db2.gz CGZOMGXTFRCUTE-QGZVFWFLSA-N 1 3 362.566 2.635 20 0 FFADHO CCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001499134305 1058247013 /nfs/dbraw/zinc/24/70/13/1058247013.db2.gz CGZOMGXTFRCUTE-QGZVFWFLSA-N 1 3 362.566 2.635 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](c4ccccn4)C3)CC2)CC1 ZINC000848035010 1058760438 /nfs/dbraw/zinc/76/04/38/1058760438.db2.gz IVRLLLARXCUKCT-LJQANCHMSA-N 1 3 370.541 2.594 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001502245827 1058788244 /nfs/dbraw/zinc/78/82/44/1058788244.db2.gz VYUHAFGSQWNXMV-AOIWGVFYSA-N 1 3 362.566 2.626 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCc2cnc(C)s2)C2CC2)CC[N@@H+]1C ZINC001507014622 1059589656 /nfs/dbraw/zinc/58/96/56/1059589656.db2.gz ZQUAFDZMYRACRS-RCCFBDPRSA-N 1 3 364.559 2.508 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCc2cnc(C)s2)C2CC2)CC[N@H+]1C ZINC001507014622 1059589676 /nfs/dbraw/zinc/58/96/76/1059589676.db2.gz ZQUAFDZMYRACRS-RCCFBDPRSA-N 1 3 364.559 2.508 20 0 FFADHO CC[N@H+](CCn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1)C1CC1 ZINC001515713032 1059756389 /nfs/dbraw/zinc/75/63/89/1059756389.db2.gz ARQVVAMIBXAVIL-UHFFFAOYSA-N 1 3 362.566 2.664 20 0 FFADHO CC[N@@H+](CCn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1)C1CC1 ZINC001515713032 1059756411 /nfs/dbraw/zinc/75/64/11/1059756411.db2.gz ARQVVAMIBXAVIL-UHFFFAOYSA-N 1 3 362.566 2.664 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccco1 ZINC001457812321 1060449832 /nfs/dbraw/zinc/44/98/32/1060449832.db2.gz IUXUVQSQVBRGLA-XYJFISCASA-N 1 3 356.470 2.747 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001547636359 1071979666 /nfs/dbraw/zinc/97/96/66/1071979666.db2.gz UTARVEWKDNCPEK-BQFCYCMXSA-N 1 3 362.566 2.661 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001547643970 1071981327 /nfs/dbraw/zinc/98/13/27/1071981327.db2.gz BFWQVILDYQLREL-MSOLQXFVSA-N 1 3 374.577 2.806 20 0 FFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc2n(n1)CCC[C@@H]2N)c1ccccc1 ZINC001521476569 1060610791 /nfs/dbraw/zinc/61/07/91/1060610791.db2.gz LEXDCRSBOBOHGT-ZBFHGGJFSA-N 1 3 355.486 2.536 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC001459657841 1060788581 /nfs/dbraw/zinc/78/85/81/1060788581.db2.gz QHRDRDRSDXLQPB-BRSBDYLESA-N 1 3 351.535 2.906 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC001459657841 1060788592 /nfs/dbraw/zinc/78/85/92/1060788592.db2.gz QHRDRDRSDXLQPB-BRSBDYLESA-N 1 3 351.535 2.906 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001527785522 1061624206 /nfs/dbraw/zinc/62/42/06/1061624206.db2.gz KNNQHKVUQCVRMX-RTBURBONSA-N 1 3 374.577 2.665 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001527785522 1061624220 /nfs/dbraw/zinc/62/42/20/1061624220.db2.gz KNNQHKVUQCVRMX-RTBURBONSA-N 1 3 374.577 2.665 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)N1CCc2ccccc2C1 ZINC001477291278 1061654252 /nfs/dbraw/zinc/65/42/52/1061654252.db2.gz JRXMNJTUJYLAAU-PXNSSMCTSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)N1CCc2ccccc2C1 ZINC001477291278 1061654266 /nfs/dbraw/zinc/65/42/66/1061654266.db2.gz JRXMNJTUJYLAAU-PXNSSMCTSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[N@@H+]1C1CC1 ZINC001478193152 1061936346 /nfs/dbraw/zinc/93/63/46/1061936346.db2.gz FYZXPELGPNFFCM-DSKINZAPSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[N@H+]1C1CC1 ZINC001478193152 1061936366 /nfs/dbraw/zinc/93/63/66/1061936366.db2.gz FYZXPELGPNFFCM-DSKINZAPSA-N 1 3 370.541 2.966 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001478990982 1062174309 /nfs/dbraw/zinc/17/43/09/1062174309.db2.gz WQSWROLWOYKHCF-HZPDHXFCSA-N 1 3 372.435 2.702 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001478990982 1062174315 /nfs/dbraw/zinc/17/43/15/1062174315.db2.gz WQSWROLWOYKHCF-HZPDHXFCSA-N 1 3 372.435 2.702 20 0 FFADHO CCC(CC)[C@H](Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)[NH+](C)C ZINC001545805792 1062318069 /nfs/dbraw/zinc/31/80/69/1062318069.db2.gz SEDSWVCGKJXWFP-MDZRGWNJSA-N 1 3 364.582 2.872 20 0 FFADHO CCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001546447465 1062543271 /nfs/dbraw/zinc/54/32/71/1062543271.db2.gz YFUCBQDEOJRIGF-IAGOWNOFSA-N 1 3 362.566 2.634 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCc3ccccc3)CCN(C)C)C[N@@H+]2C1 ZINC001441721614 1063468136 /nfs/dbraw/zinc/46/81/36/1063468136.db2.gz DBBRHTSMJQEIDV-HMXCVIKNSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCc3ccccc3)CCN(C)C)C[N@H+]2C1 ZINC001441721614 1063468142 /nfs/dbraw/zinc/46/81/42/1063468142.db2.gz DBBRHTSMJQEIDV-HMXCVIKNSA-N 1 3 357.542 2.740 20 0 FFADHO C[NH+]1CCC2(CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC001468027949 1063914173 /nfs/dbraw/zinc/91/41/73/1063914173.db2.gz ICDVHLQMYGZNHS-FQEVSTJZSA-N 1 3 370.541 2.778 20 0 FFADHO Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001468474568 1063993141 /nfs/dbraw/zinc/99/31/41/1063993141.db2.gz XFWXOXYFLSGCNS-SFHVURJKSA-N 1 3 362.562 2.844 20 0 FFADHO Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001468474568 1063993146 /nfs/dbraw/zinc/99/31/46/1063993146.db2.gz XFWXOXYFLSGCNS-SFHVURJKSA-N 1 3 362.562 2.844 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001470937354 1064495948 /nfs/dbraw/zinc/49/59/48/1064495948.db2.gz LPFYEAUUIZDTAK-IBGZPJMESA-N 1 3 353.470 2.531 20 0 FFADHO C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001470937354 1064495955 /nfs/dbraw/zinc/49/59/55/1064495955.db2.gz LPFYEAUUIZDTAK-IBGZPJMESA-N 1 3 353.470 2.531 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001471143491 1064575877 /nfs/dbraw/zinc/57/58/77/1064575877.db2.gz UKHHLXSNBHXEPW-VQTJNVASSA-N 1 3 358.530 2.695 20 0 FFADHO CCN(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC001471143491 1064575888 /nfs/dbraw/zinc/57/58/88/1064575888.db2.gz UKHHLXSNBHXEPW-VQTJNVASSA-N 1 3 358.530 2.695 20 0 FFADHO CC(C)c1nnc(N2CCC[C@@H]([NH3+])C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001575885409 1078173757 /nfs/dbraw/zinc/17/37/57/1078173757.db2.gz MQXQMASDBYVUMD-MSOLQXFVSA-N 1 3 374.508 2.771 20 0 FFADHO CC(C)c1nnc(N2CCC[C@@H](C[NH3+])C2)n1CCN(C)Cc1ccccc1 ZINC001575884123 1078173311 /nfs/dbraw/zinc/17/33/11/1078173311.db2.gz LLHSRIOLBOOAQP-IBGZPJMESA-N 1 3 370.545 2.709 20 0 FFADHO C[C@](CO)(NC[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1cc(Cl)cc(Cl)c1 ZINC001576036361 1078189176 /nfs/dbraw/zinc/18/91/76/1078189176.db2.gz IMIAFVVWJGABEY-ZACQAIPSSA-N 1 3 359.297 2.559 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001473757767 1065349099 /nfs/dbraw/zinc/34/90/99/1065349099.db2.gz AYMCDNRTYGSCMT-QGZVFWFLSA-N 1 3 371.566 2.847 20 0 FFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001473757767 1065349102 /nfs/dbraw/zinc/34/91/02/1065349102.db2.gz AYMCDNRTYGSCMT-QGZVFWFLSA-N 1 3 371.566 2.847 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc3scnc3c2)cc1 ZINC001474017864 1065440119 /nfs/dbraw/zinc/44/01/19/1065440119.db2.gz OQGGOJAWVUBERB-UHFFFAOYSA-N 1 3 368.506 2.878 20 0 FFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC001474067782 1065450639 /nfs/dbraw/zinc/45/06/39/1065450639.db2.gz GFIUJJIMIZVEPJ-BHIFYINESA-N 1 3 374.525 2.712 20 0 FFADHO COc1cc(CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)cc(OC)c1 ZINC001474757625 1065598953 /nfs/dbraw/zinc/59/89/53/1065598953.db2.gz XZDYQRZQSHZNBO-UHFFFAOYSA-N 1 3 362.514 2.869 20 0 FFADHO C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC23CCC3)CCN1Cc1ccccc1 ZINC001576718865 1078265150 /nfs/dbraw/zinc/26/51/50/1078265150.db2.gz UUJJEAPZTNIAER-AZUAARDMSA-N 1 3 355.526 2.889 20 0 FFADHO CC[C@@H]([NH3+])Cn1c(-c2ccccc2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001577131344 1078307700 /nfs/dbraw/zinc/30/77/00/1078307700.db2.gz INMVRQMJCHXCJO-QGZVFWFLSA-N 1 3 370.545 2.911 20 0 FFADHO CCOc1ccccc1[C@H](N)CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001578201702 1078451453 /nfs/dbraw/zinc/45/14/53/1078451453.db2.gz KZFRRVUQPZEHJO-LJQANCHMSA-N 1 3 359.514 2.952 20 0 FFADHO CCc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2C[C@@H](C)[NH3+])cc1 ZINC001578250476 1078455594 /nfs/dbraw/zinc/45/55/94/1078455594.db2.gz UXSVXFOPFYFGPR-ZACQAIPSSA-N 1 3 370.545 2.774 20 0 FFADHO C[NH2+][C@H]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001578613336 1078503569 /nfs/dbraw/zinc/50/35/69/1078503569.db2.gz XGFNLBXDPXXJQF-ZWKOTPCHSA-N 1 3 374.508 2.642 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001579766757 1078679200 /nfs/dbraw/zinc/67/92/00/1078679200.db2.gz ZKKVVGIZCVEUQC-VQTJNVASSA-N 1 3 372.557 2.531 20 0 FFADHO [NH3+]C1(CCN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCOCC1 ZINC001580144502 1078757288 /nfs/dbraw/zinc/75/72/88/1078757288.db2.gz IYZGGJGFIQETGQ-DLBZAZTESA-N 1 3 371.447 2.504 20 0 FFADHO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC001580613639 1078837335 /nfs/dbraw/zinc/83/73/35/1078837335.db2.gz HBCYRNICLLGYOW-IBGZPJMESA-N 1 3 356.514 2.579 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1CCC[C@]12CC[NH2+]C2 ZINC001580704476 1078849541 /nfs/dbraw/zinc/84/95/41/1078849541.db2.gz YAQYEVPCUDUUAD-TZIWHRDSSA-N 1 3 356.514 2.579 20 0 FFADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC001549133911 1073661406 /nfs/dbraw/zinc/66/14/06/1073661406.db2.gz MSXHVEMIXVBTQN-UEXGIBASSA-N 1 3 359.489 2.625 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC(S(=O)(=O)c2ccccc2)C1 ZINC001549921815 1074080248 /nfs/dbraw/zinc/08/02/48/1074080248.db2.gz MSTVAYXBOQSFJC-NXVRBGIVSA-N 1 3 359.495 2.504 20 0 FFADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC001550098862 1074144481 /nfs/dbraw/zinc/14/44/81/1074144481.db2.gz LZIKNEQUFUTQTR-MISYRCLQSA-N 1 3 350.466 2.747 20 0 FFADHO CN(C(=O)NC[C@@H]1NCCc2ccccc21)C1CC[NH+](C(C)(C)C)CC1 ZINC001550732757 1074452928 /nfs/dbraw/zinc/45/29/28/1074452928.db2.gz CLDNCKIXXGJQJI-IBGZPJMESA-N 1 3 358.530 2.778 20 0 FFADHO O=S1(=O)CC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c2ccccc21 ZINC001553025660 1075201114 /nfs/dbraw/zinc/20/11/14/1075201114.db2.gz MAJYRYFSEDCZKU-BHIYHBOVSA-N 1 3 362.539 2.706 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC001553433470 1075306802 /nfs/dbraw/zinc/30/68/02/1075306802.db2.gz FUFKJKRZZOSCDQ-GTAWCEEGSA-N 1 3 356.514 2.605 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc2nsnc21 ZINC001560412588 1076271745 /nfs/dbraw/zinc/27/17/45/1076271745.db2.gz ALMIWHLOADABMY-SFHVURJKSA-N 1 3 368.506 2.938 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc2nsnc21 ZINC001560412588 1076271749 /nfs/dbraw/zinc/27/17/49/1076271749.db2.gz ALMIWHLOADABMY-SFHVURJKSA-N 1 3 368.506 2.938 20 0 FFADHO CC[C@@H](COCC(F)(F)F)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001560848506 1076304124 /nfs/dbraw/zinc/30/41/24/1076304124.db2.gz JPQSFPUGCOTUHL-FHERZECASA-N 1 3 352.441 2.967 20 0 FFADHO CC1([NH+]2CCOCC2)CCC([NH2+]CCc2c(F)cc([O-])cc2F)CC1 ZINC001561020679 1076320453 /nfs/dbraw/zinc/32/04/53/1076320453.db2.gz NVQBFCWZUTXJQG-UHFFFAOYSA-N 1 3 354.441 2.836 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)N2CCCC2)cc1 ZINC001563410442 1076552990 /nfs/dbraw/zinc/55/29/90/1076552990.db2.gz UCIRRZSNIFNDCZ-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)N2CCCC2)cc1 ZINC001563410442 1076552995 /nfs/dbraw/zinc/55/29/95/1076552995.db2.gz UCIRRZSNIFNDCZ-AZUAARDMSA-N 1 3 374.529 2.616 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCCN(C)C2)[NH+]2CCCC2)cc1 ZINC001563830196 1076586227 /nfs/dbraw/zinc/58/62/27/1076586227.db2.gz DMEUMIFTRDNCCB-WOJBJXKFSA-N 1 3 358.530 2.868 20 0 FFADHO CN1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC001565435038 1076729057 /nfs/dbraw/zinc/72/90/57/1076729057.db2.gz UGFGYHJNSMCXKB-GOSISDBHSA-N 1 3 366.937 2.898 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1c1ccccc1 ZINC001565882566 1076776563 /nfs/dbraw/zinc/77/65/63/1076776563.db2.gz CUUBGHAAHWDBNQ-XUVXKRRUSA-N 1 3 363.521 2.907 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1c1ccccc1 ZINC001565882566 1076776566 /nfs/dbraw/zinc/77/65/66/1076776566.db2.gz CUUBGHAAHWDBNQ-XUVXKRRUSA-N 1 3 363.521 2.907 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1)N(C)C ZINC001565914636 1076798441 /nfs/dbraw/zinc/79/84/41/1076798441.db2.gz OPXOACQITULUCH-FBBABVLZSA-N 1 3 368.525 2.950 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2cccc(OC)c2C)CC[N@@H+]1C ZINC001567333359 1077016810 /nfs/dbraw/zinc/01/68/10/1077016810.db2.gz SSYVHYAZBPALNP-RBUKOAKNSA-N 1 3 361.530 2.672 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2cccc(OC)c2C)CC[N@H+]1C ZINC001567333359 1077016816 /nfs/dbraw/zinc/01/68/16/1077016816.db2.gz SSYVHYAZBPALNP-RBUKOAKNSA-N 1 3 361.530 2.672 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CCC[C@H]1C[NH3+] ZINC000423156140 514063417 /nfs/dbraw/zinc/06/34/17/514063417.db2.gz MDVXFEDIMDKIJB-QRTARXTBSA-N 1 3 355.320 2.626 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CN(C4CC4)CCO2)C3)cc1 ZINC000377081079 512114777 /nfs/dbraw/zinc/11/47/77/512114777.db2.gz HPPHKLVDCNAPIY-FKVLARQCSA-N 1 3 355.526 2.635 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CN(C4CC4)CCO2)C3)cc1 ZINC000377081079 512114782 /nfs/dbraw/zinc/11/47/82/512114782.db2.gz HPPHKLVDCNAPIY-FKVLARQCSA-N 1 3 355.526 2.635 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000423168190 514067306 /nfs/dbraw/zinc/06/73/06/514067306.db2.gz XOOBTRRIHCKLMD-XNJGSVPQSA-N 1 3 373.310 2.717 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423168190 514067313 /nfs/dbraw/zinc/06/73/13/514067313.db2.gz XOOBTRRIHCKLMD-XNJGSVPQSA-N 1 3 373.310 2.717 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000103594028 250158989 /nfs/dbraw/zinc/15/89/89/250158989.db2.gz NGEYHDVPUVXPIL-FQEVSTJZSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000267372932 251338412 /nfs/dbraw/zinc/33/84/12/251338412.db2.gz KKLBXKKAMCQCQM-RXVVDRJESA-N 1 3 372.557 2.880 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000272412386 252033481 /nfs/dbraw/zinc/03/34/81/252033481.db2.gz FSEKMGLDFFSHPZ-WIYYLYMNSA-N 1 3 370.541 2.695 20 0 FFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272649672 252092057 /nfs/dbraw/zinc/09/20/57/252092057.db2.gz JXQNHXKLXRYNEC-PZJWPPBQSA-N 1 3 358.574 2.513 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056828738 221081748 /nfs/dbraw/zinc/08/17/48/221081748.db2.gz OTWWBCROMJVKKR-UHFFFAOYSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056828738 221081751 /nfs/dbraw/zinc/08/17/51/221081751.db2.gz OTWWBCROMJVKKR-UHFFFAOYSA-N 1 3 362.562 2.911 20 0 FFADHO COCc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1OC ZINC000278455395 256315206 /nfs/dbraw/zinc/31/52/06/256315206.db2.gz ITDHOCKHXAECOG-IAGOWNOFSA-N 1 3 350.503 2.993 20 0 FFADHO COCc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)ccc1OC ZINC000278455395 256315208 /nfs/dbraw/zinc/31/52/08/256315208.db2.gz ITDHOCKHXAECOG-IAGOWNOFSA-N 1 3 350.503 2.993 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000278757039 256344556 /nfs/dbraw/zinc/34/45/56/256344556.db2.gz XFXZUJQABROANO-IRXDYDNUSA-N 1 3 361.486 2.795 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000278757039 256344557 /nfs/dbraw/zinc/34/45/57/256344557.db2.gz XFXZUJQABROANO-IRXDYDNUSA-N 1 3 361.486 2.795 20 0 FFADHO COc1cc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000278330981 256301018 /nfs/dbraw/zinc/30/10/18/256301018.db2.gz LYEMHJZNQIIZKI-UHFFFAOYSA-N 1 3 374.529 2.992 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285961411 257013213 /nfs/dbraw/zinc/01/32/13/257013213.db2.gz NDQJYJWJLTUDBP-PKTZIBPZSA-N 1 3 370.585 2.753 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285961411 257013214 /nfs/dbraw/zinc/01/32/14/257013214.db2.gz NDQJYJWJLTUDBP-PKTZIBPZSA-N 1 3 370.585 2.753 20 0 FFADHO CN1CCN(C)[C@H](CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000286176529 257023866 /nfs/dbraw/zinc/02/38/66/257023866.db2.gz QRFXGNQLQDRRRE-GSPCLOLRSA-N 1 3 370.585 2.513 20 0 FFADHO CN1CCN(C)[C@H](CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000286176529 257023867 /nfs/dbraw/zinc/02/38/67/257023867.db2.gz QRFXGNQLQDRRRE-GSPCLOLRSA-N 1 3 370.585 2.513 20 0 FFADHO COC[C@H](NCCCN1CCC[N@H+](C)CC1)c1cccc(Cl)c1F ZINC000287879898 257124856 /nfs/dbraw/zinc/12/48/56/257124856.db2.gz YISKRTRMCNTXOI-KRWDZBQOSA-N 1 3 357.901 2.784 20 0 FFADHO COC[C@H](NCCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1F ZINC000287879898 257124858 /nfs/dbraw/zinc/12/48/58/257124858.db2.gz YISKRTRMCNTXOI-KRWDZBQOSA-N 1 3 357.901 2.784 20 0 FFADHO CN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287486989 257091925 /nfs/dbraw/zinc/09/19/25/257091925.db2.gz GPINDCZOHBZUEL-JQKXYWIWSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287486989 257091926 /nfs/dbraw/zinc/09/19/26/257091926.db2.gz GPINDCZOHBZUEL-JQKXYWIWSA-N 1 3 370.541 2.918 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000287718865 257105415 /nfs/dbraw/zinc/10/54/15/257105415.db2.gz SKPAAHCXAKDFAK-LJQANCHMSA-N 1 3 362.493 2.602 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000288152617 257152517 /nfs/dbraw/zinc/15/25/17/257152517.db2.gz VRKHVKKABTWRNR-IPQPSQTFSA-N 1 3 362.493 2.743 20 0 FFADHO CN(C)C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000288152617 257152519 /nfs/dbraw/zinc/15/25/19/257152519.db2.gz VRKHVKKABTWRNR-IPQPSQTFSA-N 1 3 362.493 2.743 20 0 FFADHO C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000290271128 257323074 /nfs/dbraw/zinc/32/30/74/257323074.db2.gz LLYRPRFKPDPOSY-ZRCAFCQKSA-N 1 3 356.466 2.772 20 0 FFADHO CCN(C[C@H](C)OC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000291332181 257398288 /nfs/dbraw/zinc/39/82/88/257398288.db2.gz VWWVWCDPRHGTJA-ROUUACIJSA-N 1 3 361.530 2.513 20 0 FFADHO Cc1cc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c2ccccc2[nH+]1 ZINC000301409844 258047701 /nfs/dbraw/zinc/04/77/01/258047701.db2.gz OJGJWRMQCGBKLE-LJQANCHMSA-N 1 3 368.525 2.774 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cnc21 ZINC000333198495 258255504 /nfs/dbraw/zinc/25/55/04/258255504.db2.gz WWUHTLUZJQYJAI-RTBURBONSA-N 1 3 357.502 2.731 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000054510938 506571290 /nfs/dbraw/zinc/57/12/90/506571290.db2.gz FFBRNDCOSKMKNT-SFHVURJKSA-N 1 3 364.509 2.631 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000054510938 506571292 /nfs/dbraw/zinc/57/12/92/506571292.db2.gz FFBRNDCOSKMKNT-SFHVURJKSA-N 1 3 364.509 2.631 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000054511203 506571442 /nfs/dbraw/zinc/57/14/42/506571442.db2.gz RSWZIMXXRAZSPV-LJQANCHMSA-N 1 3 372.557 2.991 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000054511203 506571449 /nfs/dbraw/zinc/57/14/49/506571449.db2.gz RSWZIMXXRAZSPV-LJQANCHMSA-N 1 3 372.557 2.991 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054718339 506607762 /nfs/dbraw/zinc/60/77/62/506607762.db2.gz WDBAHZHWOSRSES-PXNSSMCTSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000054719572 506608528 /nfs/dbraw/zinc/60/85/28/506608528.db2.gz RTHIGUOWAJJANE-WSTZPKSXSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000054719572 506608534 /nfs/dbraw/zinc/60/85/34/506608534.db2.gz RTHIGUOWAJJANE-WSTZPKSXSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000067569990 506931915 /nfs/dbraw/zinc/93/19/15/506931915.db2.gz MIIOGXWIGBLXLZ-OAQYLSRUSA-N 1 3 370.541 2.967 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000377570881 512332781 /nfs/dbraw/zinc/33/27/81/512332781.db2.gz IBOKAHSDSGKZRW-YZGWKJHDSA-N 1 3 359.514 2.849 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000047951127 507423336 /nfs/dbraw/zinc/42/33/36/507423336.db2.gz YELRMUNTFUBACY-KRWDZBQOSA-N 1 3 362.543 2.811 20 0 FFADHO CC[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000048395066 507516204 /nfs/dbraw/zinc/51/62/04/507516204.db2.gz IYNFBYLIBXHUBX-FQEVSTJZSA-N 1 3 370.541 2.749 20 0 FFADHO C[NH+](C)CCOc1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1 ZINC000048710239 507554012 /nfs/dbraw/zinc/55/40/12/507554012.db2.gz NABCKVFXGDUTAR-UHFFFAOYSA-N 1 3 365.481 2.557 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCn3ccc4ccccc43)CC2)CC1 ZINC000050801210 507713888 /nfs/dbraw/zinc/71/38/88/507713888.db2.gz ZAQYJSBRJPLNLC-UHFFFAOYSA-N 1 3 368.525 2.706 20 0 FFADHO CN(C)Cc1ccccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000072003420 507732787 /nfs/dbraw/zinc/73/27/87/507732787.db2.gz FYIZJMIWPWGGSV-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000063758274 507768427 /nfs/dbraw/zinc/76/84/27/507768427.db2.gz GULDFFCEGBHOKW-GOSISDBHSA-N 1 3 361.530 2.869 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000063758274 507768429 /nfs/dbraw/zinc/76/84/29/507768429.db2.gz GULDFFCEGBHOKW-GOSISDBHSA-N 1 3 361.530 2.869 20 0 FFADHO CN(Cc1cccc(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759831 507783153 /nfs/dbraw/zinc/78/31/53/507783153.db2.gz MYRNTSUCFLADLV-UHFFFAOYSA-N 1 3 362.493 2.526 20 0 FFADHO Clc1ccccc1COc1cccc(CNCCN2CC[NH2+]CC2)c1 ZINC000106957857 507831214 /nfs/dbraw/zinc/83/12/14/507831214.db2.gz PQHNEOWNFGGVJK-UHFFFAOYSA-N 1 3 359.901 2.914 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000107980192 507875146 /nfs/dbraw/zinc/87/51/46/507875146.db2.gz RMWLEFQALTZVHH-QRVBRYPASA-N 1 3 352.567 2.776 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000107980192 507875149 /nfs/dbraw/zinc/87/51/49/507875149.db2.gz RMWLEFQALTZVHH-QRVBRYPASA-N 1 3 352.567 2.776 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CCCC1 ZINC000078500724 507877049 /nfs/dbraw/zinc/87/70/49/507877049.db2.gz SIAKJIBELQYQJA-UHFFFAOYSA-N 1 3 372.557 2.867 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000108298428 507885163 /nfs/dbraw/zinc/88/51/63/507885163.db2.gz WPVPEOSFBLKIFE-UYAOXDASSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000108298428 507885166 /nfs/dbraw/zinc/88/51/66/507885166.db2.gz WPVPEOSFBLKIFE-UYAOXDASSA-N 1 3 359.489 2.638 20 0 FFADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108545055 507902662 /nfs/dbraw/zinc/90/26/62/507902662.db2.gz BNJNRKACMPTIFN-OAQYLSRUSA-N 1 3 370.541 2.956 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000079221351 507945802 /nfs/dbraw/zinc/94/58/02/507945802.db2.gz AILPOIZADAQZBU-NRFANRHFSA-N 1 3 374.573 2.971 20 0 FFADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCN(C2CCCC2)CC1 ZINC000079285839 507950597 /nfs/dbraw/zinc/95/05/97/507950597.db2.gz LTXGKATYLPHJFG-UHFFFAOYSA-N 1 3 370.541 2.705 20 0 FFADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCN(C2CCCC2)CC1 ZINC000079285839 507950601 /nfs/dbraw/zinc/95/06/01/507950601.db2.gz LTXGKATYLPHJFG-UHFFFAOYSA-N 1 3 370.541 2.705 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc2ccccc2o1 ZINC000073750291 507952247 /nfs/dbraw/zinc/95/22/47/507952247.db2.gz YNRINRDTBOSLSZ-SFHVURJKSA-N 1 3 372.513 2.990 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc2ccccc2o1 ZINC000073750291 507952249 /nfs/dbraw/zinc/95/22/49/507952249.db2.gz YNRINRDTBOSLSZ-SFHVURJKSA-N 1 3 372.513 2.990 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC[NH+](CC(C)C)CC2)o1 ZINC000079592510 507980308 /nfs/dbraw/zinc/98/03/08/507980308.db2.gz DVBXXDPXVIPRHF-UHFFFAOYSA-N 1 3 364.534 2.782 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000080054330 508031096 /nfs/dbraw/zinc/03/10/96/508031096.db2.gz IXFMNFVOUZBMQH-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000080054330 508031099 /nfs/dbraw/zinc/03/10/99/508031099.db2.gz IXFMNFVOUZBMQH-RTBURBONSA-N 1 3 362.493 2.526 20 0 FFADHO CCOC(=O)[C@@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000092456265 508072227 /nfs/dbraw/zinc/07/22/27/508072227.db2.gz CJSAUUIZQLYQAU-LJQANCHMSA-N 1 3 373.541 2.992 20 0 FFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(OCC)cc2)CC1 ZINC000111241058 508082004 /nfs/dbraw/zinc/08/20/04/508082004.db2.gz DGQDFFCPXCWQEC-GOSISDBHSA-N 1 3 350.503 2.631 20 0 FFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(OCC)cc2)CC1 ZINC000111241058 508082006 /nfs/dbraw/zinc/08/20/06/508082006.db2.gz DGQDFFCPXCWQEC-GOSISDBHSA-N 1 3 350.503 2.631 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000092587463 508084442 /nfs/dbraw/zinc/08/44/42/508084442.db2.gz FOVYPRIGWCJVFX-CALCHBBNSA-N 1 3 369.513 2.793 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000092587463 508084445 /nfs/dbraw/zinc/08/44/45/508084445.db2.gz FOVYPRIGWCJVFX-CALCHBBNSA-N 1 3 369.513 2.793 20 0 FFADHO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000092734268 508098295 /nfs/dbraw/zinc/09/82/95/508098295.db2.gz NLBYVYCWDHVWAU-HXUWFJFHSA-N 1 3 372.557 2.567 20 0 FFADHO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000092734268 508098298 /nfs/dbraw/zinc/09/82/98/508098298.db2.gz NLBYVYCWDHVWAU-HXUWFJFHSA-N 1 3 372.557 2.567 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccccc1 ZINC000092821142 508101954 /nfs/dbraw/zinc/10/19/54/508101954.db2.gz MMBZSOXLULKCNL-UHFFFAOYSA-N 1 3 366.509 2.936 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000081444676 508175163 /nfs/dbraw/zinc/17/51/63/508175163.db2.gz QQZOIQIKKCJQCW-RXVVDRJESA-N 1 3 372.557 2.631 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000081444676 508175164 /nfs/dbraw/zinc/17/51/64/508175164.db2.gz QQZOIQIKKCJQCW-RXVVDRJESA-N 1 3 372.557 2.631 20 0 FFADHO Cc1ccc([C@H](CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)N(C)C)cc1 ZINC000076319845 508186542 /nfs/dbraw/zinc/18/65/42/508186542.db2.gz KQJKFDLQQZEREN-PMACEKPBSA-N 1 3 361.530 2.507 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc1 ZINC000076894082 508260303 /nfs/dbraw/zinc/26/03/03/508260303.db2.gz BBYGQCLVTWXUOB-UHFFFAOYSA-N 1 3 370.472 2.985 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1COC ZINC000077201687 508286000 /nfs/dbraw/zinc/28/60/00/508286000.db2.gz ICQUICAPGTZRDA-SFHVURJKSA-N 1 3 362.518 2.713 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1COC ZINC000077201687 508286001 /nfs/dbraw/zinc/28/60/01/508286001.db2.gz ICQUICAPGTZRDA-SFHVURJKSA-N 1 3 362.518 2.713 20 0 FFADHO Cc1nc(Cc2ccccc2)sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212937 508302788 /nfs/dbraw/zinc/30/27/88/508302788.db2.gz LLIIQFPXYLYQTA-UHFFFAOYSA-N 1 3 374.554 2.608 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000085402522 508306524 /nfs/dbraw/zinc/30/65/24/508306524.db2.gz OUDUCUZBKSPHFW-GIVPXCGWSA-N 1 3 372.557 2.533 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000085402522 508306526 /nfs/dbraw/zinc/30/65/26/508306526.db2.gz OUDUCUZBKSPHFW-GIVPXCGWSA-N 1 3 372.557 2.533 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000104258461 508330776 /nfs/dbraw/zinc/33/07/76/508330776.db2.gz GDHDSEAUTQZJHT-FQEVSTJZSA-N 1 3 361.530 2.898 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)N2CCCC2)c1 ZINC000105084685 508360530 /nfs/dbraw/zinc/36/05/30/508360530.db2.gz FIGHBVHMUYORAU-OXQOHEQNSA-N 1 3 374.529 2.614 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N2CCCC2)c1 ZINC000105084685 508360532 /nfs/dbraw/zinc/36/05/32/508360532.db2.gz FIGHBVHMUYORAU-OXQOHEQNSA-N 1 3 374.529 2.614 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000105123960 508362411 /nfs/dbraw/zinc/36/24/11/508362411.db2.gz TYUHVCUTYFSRSS-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000077788503 508374357 /nfs/dbraw/zinc/37/43/57/508374357.db2.gz CCVAXLBYMRBHQH-CQSZACIVSA-N 1 3 374.451 2.901 20 0 FFADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc(F)ccc1F ZINC000077873503 508386832 /nfs/dbraw/zinc/38/68/32/508386832.db2.gz GJCXZMBJZCSFQF-KRWDZBQOSA-N 1 3 356.461 2.551 20 0 FFADHO O=C(C[C@@H]1CSCCN1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000133606211 508423170 /nfs/dbraw/zinc/42/31/70/508423170.db2.gz VNZXXTJWRRDALR-LJQANCHMSA-N 1 3 361.555 2.774 20 0 FFADHO CCNC(=O)c1ccc(C[NH2+][C@H]2CCN(CCCOCC)C[C@@H]2C)cc1 ZINC000156499882 508429875 /nfs/dbraw/zinc/42/98/75/508429875.db2.gz FWOZLVOZIFMMGS-PXNSSMCTSA-N 1 3 361.530 2.663 20 0 FFADHO CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127489827 508458051 /nfs/dbraw/zinc/45/80/51/508458051.db2.gz LVFQYRQFDMDQLL-LPHOPBHVSA-N 1 3 350.551 2.813 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000156724236 508468247 /nfs/dbraw/zinc/46/82/47/508468247.db2.gz KDXRUWXLOXMQJM-FQEVSTJZSA-N 1 3 360.546 2.786 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000156724236 508468250 /nfs/dbraw/zinc/46/82/50/508468250.db2.gz KDXRUWXLOXMQJM-FQEVSTJZSA-N 1 3 360.546 2.786 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000127675043 508484885 /nfs/dbraw/zinc/48/48/85/508484885.db2.gz SVNFCNRGUXPILF-LPHOPBHVSA-N 1 3 358.530 2.905 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128294694 508573487 /nfs/dbraw/zinc/57/34/87/508573487.db2.gz PLVWETNFQIGKEL-RXVVDRJESA-N 1 3 372.557 2.928 20 0 FFADHO COc1ccccc1COC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918621 508575417 /nfs/dbraw/zinc/57/54/17/508575417.db2.gz BRQYZGAVKGAUBX-JRGCBEDISA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccccc1COC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918621 508575421 /nfs/dbraw/zinc/57/54/21/508575421.db2.gz BRQYZGAVKGAUBX-JRGCBEDISA-N 1 3 374.525 2.521 20 0 FFADHO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)c1 ZINC000157819807 508617325 /nfs/dbraw/zinc/61/73/25/508617325.db2.gz DVOQBTAKBLFYEG-QGZVFWFLSA-N 1 3 369.509 2.880 20 0 FFADHO CC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000123364149 508675208 /nfs/dbraw/zinc/67/52/08/508675208.db2.gz YZUBGCKMPPHYGG-HXUWFJFHSA-N 1 3 361.505 2.994 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000123880809 508752454 /nfs/dbraw/zinc/75/24/54/508752454.db2.gz UOSMHPMYEYLPQS-TZIWHRDSSA-N 1 3 370.541 2.907 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000123880809 508752457 /nfs/dbraw/zinc/75/24/57/508752457.db2.gz UOSMHPMYEYLPQS-TZIWHRDSSA-N 1 3 370.541 2.907 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)Cn3cccn3)CC2)c1 ZINC000138023678 508767930 /nfs/dbraw/zinc/76/79/30/508767930.db2.gz RIDRLFCPJAQIRX-FQEVSTJZSA-N 1 3 355.530 2.772 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000154416638 508780408 /nfs/dbraw/zinc/78/04/08/508780408.db2.gz QLHNYMOBQYXKQY-LJQANCHMSA-N 1 3 355.530 2.610 20 0 FFADHO CC(C)CC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000119659128 508838300 /nfs/dbraw/zinc/83/83/00/508838300.db2.gz VZFIQAPEIHYCIK-UHFFFAOYSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1ccc(Br)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119902055 508887162 /nfs/dbraw/zinc/88/71/62/508887162.db2.gz IGONGCLXMTWMRO-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO CN(c1ccccc1CNCCOC[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000150917777 508922328 /nfs/dbraw/zinc/92/23/28/508922328.db2.gz OJUDXBUJOXRWTC-FQEVSTJZSA-N 1 3 361.530 2.502 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000125546285 508997704 /nfs/dbraw/zinc/99/77/04/508997704.db2.gz ZEQKXKYJDSYCRO-MRXNPFEDSA-N 1 3 352.548 2.916 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000132527890 509040213 /nfs/dbraw/zinc/04/02/13/509040213.db2.gz OBRWNVSCRDOQEF-UHFFFAOYSA-N 1 3 361.515 2.767 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000132786929 509075170 /nfs/dbraw/zinc/07/51/70/509075170.db2.gz BMPCSXZJXSJGDD-QGZVFWFLSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000132786929 509075173 /nfs/dbraw/zinc/07/51/73/509075173.db2.gz BMPCSXZJXSJGDD-QGZVFWFLSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000133023328 509105067 /nfs/dbraw/zinc/10/50/67/509105067.db2.gz QGNWELJLOPISKA-CCHLGUQTSA-N 1 3 350.528 2.576 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000121042369 509116311 /nfs/dbraw/zinc/11/63/11/509116311.db2.gz NTGBFNOMVRSQJN-INIZCTEOSA-N 1 3 366.525 2.875 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000182336698 509181719 /nfs/dbraw/zinc/18/17/19/509181719.db2.gz UIEGTNQZLHNUBK-RTWAWAEBSA-N 1 3 370.541 2.561 20 0 FFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000182336698 509181722 /nfs/dbraw/zinc/18/17/22/509181722.db2.gz UIEGTNQZLHNUBK-RTWAWAEBSA-N 1 3 370.541 2.561 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000175950723 509233217 /nfs/dbraw/zinc/23/32/17/509233217.db2.gz PWNPWALPTYCPNA-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000172826454 509259088 /nfs/dbraw/zinc/25/90/88/509259088.db2.gz QBAOPWRQODLXBU-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000172826454 509259093 /nfs/dbraw/zinc/25/90/93/509259093.db2.gz QBAOPWRQODLXBU-HXUWFJFHSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000248405363 509301083 /nfs/dbraw/zinc/30/10/83/509301083.db2.gz RGAMPXFILOTVLH-DOIPELPJSA-N 1 3 365.525 2.792 20 0 FFADHO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185747132 509336039 /nfs/dbraw/zinc/33/60/39/509336039.db2.gz GKDWPCVKUOZKJW-SJORKVTESA-N 1 3 369.509 2.915 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000248562795 509365149 /nfs/dbraw/zinc/36/51/49/509365149.db2.gz OHFGIQOFJSXTNM-NQIIRXRSSA-N 1 3 370.541 2.681 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000248562795 509365153 /nfs/dbraw/zinc/36/51/53/509365153.db2.gz OHFGIQOFJSXTNM-NQIIRXRSSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CN1C1CC1 ZINC000163935316 509443183 /nfs/dbraw/zinc/44/31/83/509443183.db2.gz HLCFBTCXMMITDU-IFMALSPDSA-N 1 3 370.585 2.799 20 0 FFADHO C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847006 509456404 /nfs/dbraw/zinc/45/64/04/509456404.db2.gz AIPCMWYNIDDONB-AEFFLSMTSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847006 509456411 /nfs/dbraw/zinc/45/64/11/509456411.db2.gz AIPCMWYNIDDONB-AEFFLSMTSA-N 1 3 350.551 2.623 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000264324179 509458568 /nfs/dbraw/zinc/45/85/68/509458568.db2.gz QMAYLEGTNBVLDE-UHFFFAOYSA-N 1 3 360.502 2.515 20 0 FFADHO CN1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)[C@@H]1c1ccccc1 ZINC000179487970 509473140 /nfs/dbraw/zinc/47/31/40/509473140.db2.gz PVYCQTNISRAOEN-PMACEKPBSA-N 1 3 358.530 2.948 20 0 FFADHO CCCN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000236778115 509501670 /nfs/dbraw/zinc/50/16/70/509501670.db2.gz GMQUOUQSKBPHDW-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000236832980 509512870 /nfs/dbraw/zinc/51/28/70/509512870.db2.gz HOFSAVWCTYSQOV-RTWAWAEBSA-N 1 3 369.509 2.937 20 0 FFADHO CC[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236957799 509541172 /nfs/dbraw/zinc/54/11/72/509541172.db2.gz WNQRWZIWOJYWBY-UTKZUKDTSA-N 1 3 357.542 2.965 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000248949744 509552549 /nfs/dbraw/zinc/55/25/49/509552549.db2.gz ZSJDDKIBUORRSO-WIYYLYMNSA-N 1 3 372.557 2.880 20 0 FFADHO Cc1nn(C)c2ncc(CNCc3ccc(OCCC[NH+](C)C)cc3)cc12 ZINC000237112000 509573529 /nfs/dbraw/zinc/57/35/29/509573529.db2.gz URRXJMAPGPOUSQ-UHFFFAOYSA-N 1 3 367.497 2.897 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000173413802 509582467 /nfs/dbraw/zinc/58/24/67/509582467.db2.gz MRULTXPAQZBWJT-UXHICEINSA-N 1 3 356.514 2.725 20 0 FFADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173422510 509588751 /nfs/dbraw/zinc/58/87/51/509588751.db2.gz YAKQQOUCOFLMSG-QAPCUYQASA-N 1 3 369.575 2.954 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000173476231 509624347 /nfs/dbraw/zinc/62/43/47/509624347.db2.gz GDWHMUJACGKUPO-QGZVFWFLSA-N 1 3 362.518 2.883 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)C[C@H]2CSCCN2)CCCC1)c1ccccc1 ZINC000237525324 509668803 /nfs/dbraw/zinc/66/88/03/509668803.db2.gz ZDVCSPPFSUDLKK-WMZOPIPTSA-N 1 3 361.555 2.861 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCC[NH+]2CCCCC2)c1 ZINC000170670088 509709816 /nfs/dbraw/zinc/70/98/16/509709816.db2.gz YOISTBZUCUEFLP-MRXNPFEDSA-N 1 3 363.502 2.887 20 0 FFADHO CCOc1cc2[nH+]ccc(NC[C@H]3CN(C)CCN3C)c2cc1OCC ZINC000264803135 509713660 /nfs/dbraw/zinc/71/36/60/509713660.db2.gz NKEIYRNLZQXKDT-HNNXBMFYSA-N 1 3 358.486 2.690 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1 ZINC000237821946 509742504 /nfs/dbraw/zinc/74/25/04/509742504.db2.gz BEUNJDHBFVJJIF-LPHOPBHVSA-N 1 3 357.523 2.819 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180109427 509756712 /nfs/dbraw/zinc/75/67/12/509756712.db2.gz JSLTXKCQDALDAT-SFHVURJKSA-N 1 3 354.542 2.951 20 0 FFADHO CC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000180115369 509759866 /nfs/dbraw/zinc/75/98/66/509759866.db2.gz BJKBJWNVOHULNN-NRFANRHFSA-N 1 3 373.541 2.864 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000249777314 509762443 /nfs/dbraw/zinc/76/24/43/509762443.db2.gz NXYWXXPDIPMRQJ-KURKYZTESA-N 1 3 360.546 2.914 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189817796 509769079 /nfs/dbraw/zinc/76/90/79/509769079.db2.gz WHHGFCSGCIXNAY-UNMCSNQZSA-N 1 3 357.542 2.887 20 0 FFADHO C[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)N1CCCCCC1 ZINC000186617987 509804721 /nfs/dbraw/zinc/80/47/21/509804721.db2.gz VHPAAUMPUKQQCX-QUCCMNQESA-N 1 3 358.530 2.817 20 0 FFADHO N[C@H](CC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000186618055 509804901 /nfs/dbraw/zinc/80/49/01/509804901.db2.gz NIEODOVWFZCYHA-VQTJNVASSA-N 1 3 352.482 2.642 20 0 FFADHO CCCOc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1OC ZINC000268404014 509908935 /nfs/dbraw/zinc/90/89/35/509908935.db2.gz DWAPCPGTBKZCKN-UHFFFAOYSA-N 1 3 350.503 2.809 20 0 FFADHO C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261595108 509993649 /nfs/dbraw/zinc/99/36/49/509993649.db2.gz NWTZLDWSSBUIRC-QMMLZNLJSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261595108 509993660 /nfs/dbraw/zinc/99/36/60/509993660.db2.gz NWTZLDWSSBUIRC-QMMLZNLJSA-N 1 3 351.494 2.583 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000174200964 509998316 /nfs/dbraw/zinc/99/83/16/509998316.db2.gz BTPRHFNZTBYFPD-FQEVSTJZSA-N 1 3 360.546 2.581 20 0 FFADHO CCN1CCC(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268618473 510039315 /nfs/dbraw/zinc/03/93/15/510039315.db2.gz TTWLSBCSCVFKQX-WGMWDUQUSA-N 1 3 372.557 2.927 20 0 FFADHO CCN1CCC(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268618473 510039320 /nfs/dbraw/zinc/03/93/20/510039320.db2.gz TTWLSBCSCVFKQX-WGMWDUQUSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000177433848 510055426 /nfs/dbraw/zinc/05/54/26/510055426.db2.gz NOYCDEPPTPNBPG-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000177433848 510055432 /nfs/dbraw/zinc/05/54/32/510055432.db2.gz NOYCDEPPTPNBPG-AZUAARDMSA-N 1 3 358.530 2.825 20 0 FFADHO COCCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245697818 510092186 /nfs/dbraw/zinc/09/21/86/510092186.db2.gz LILGSTHTQAFIJA-KJJMTIBFSA-N 1 3 357.542 2.882 20 0 FFADHO COCCN1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245697818 510092190 /nfs/dbraw/zinc/09/21/90/510092190.db2.gz LILGSTHTQAFIJA-KJJMTIBFSA-N 1 3 357.542 2.882 20 0 FFADHO COCCN1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245697818 510092194 /nfs/dbraw/zinc/09/21/94/510092194.db2.gz LILGSTHTQAFIJA-KJJMTIBFSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)CCN1Cc1ccccc1 ZINC000268880321 510116208 /nfs/dbraw/zinc/11/62/08/510116208.db2.gz MNXOUHZEKLPMGG-IFMALSPDSA-N 1 3 358.574 2.657 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[NH+]2CCCC2)cc1 ZINC000174452942 510121769 /nfs/dbraw/zinc/12/17/69/510121769.db2.gz RLOWMLNKWBRIKM-LEWJYISDSA-N 1 3 368.525 2.788 20 0 FFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000261967513 510132558 /nfs/dbraw/zinc/13/25/58/510132558.db2.gz BSTYHXUIZDGBLQ-INIZCTEOSA-N 1 3 356.514 2.537 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245921316 510207325 /nfs/dbraw/zinc/20/73/25/510207325.db2.gz GLQKJLHPSGHUMG-IAGOWNOFSA-N 1 3 361.534 2.637 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245921316 510207327 /nfs/dbraw/zinc/20/73/27/510207327.db2.gz GLQKJLHPSGHUMG-IAGOWNOFSA-N 1 3 361.534 2.637 20 0 FFADHO CCN(C(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000180961250 510210192 /nfs/dbraw/zinc/21/01/92/510210192.db2.gz XWRXOMSKIVAJDO-SFHVURJKSA-N 1 3 366.594 2.514 20 0 FFADHO Cc1nc(C)c([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000180997083 510228406 /nfs/dbraw/zinc/22/84/06/510228406.db2.gz MHJMCWXXCMYNCV-CYBMUJFWSA-N 1 3 360.527 2.902 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194160302 510243097 /nfs/dbraw/zinc/24/30/97/510243097.db2.gz NSAFVVQMOYOBRL-LJQANCHMSA-N 1 3 360.546 2.721 20 0 FFADHO CC1CCN([C@@H](CNC(=O)c2csc(CC[NH3+])n2)c2ccccc2)CC1 ZINC000262317790 510243296 /nfs/dbraw/zinc/24/32/96/510243296.db2.gz BQUSCVWQDZXVHJ-SFHVURJKSA-N 1 3 372.538 2.847 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1)C(C)C ZINC000184347254 510277286 /nfs/dbraw/zinc/27/72/86/510277286.db2.gz CPKZOMFCGIZOCG-IBGZPJMESA-N 1 3 374.573 2.673 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1)C(C)C ZINC000184347254 510277294 /nfs/dbraw/zinc/27/72/94/510277294.db2.gz CPKZOMFCGIZOCG-IBGZPJMESA-N 1 3 374.573 2.673 20 0 FFADHO CN(C)Cc1cccc(CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1 ZINC000269236008 510302585 /nfs/dbraw/zinc/30/25/85/510302585.db2.gz MPAXZHDRMDTHPZ-UHFFFAOYSA-N 1 3 364.493 2.982 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000246115931 510302641 /nfs/dbraw/zinc/30/26/41/510302641.db2.gz ICQUNEJDSSRAJT-GBESFXJTSA-N 1 3 352.567 2.867 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@@H](N4CCCCC4)C3)ccc21 ZINC000269261955 510315189 /nfs/dbraw/zinc/31/51/89/510315189.db2.gz MYUSDLGUJBJSRY-LJQANCHMSA-N 1 3 354.498 2.691 20 0 FFADHO [NH3+]CCCCCCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269278715 510321019 /nfs/dbraw/zinc/32/10/19/510321019.db2.gz ZCMYEKXDKFDCMR-UHFFFAOYSA-N 1 3 365.493 2.694 20 0 FFADHO CN1CC[N@H+](CCCNCc2cn(C(C)(C)C)nn2)[C@@H](c2ccccc2)C1 ZINC000190752425 510326075 /nfs/dbraw/zinc/32/60/75/510326075.db2.gz PTXSUUNFPCLQBJ-HXUWFJFHSA-N 1 3 370.545 2.502 20 0 FFADHO CN1CC[N@@H+](CCCNCc2cn(C(C)(C)C)nn2)[C@@H](c2ccccc2)C1 ZINC000190752425 510326083 /nfs/dbraw/zinc/32/60/83/510326083.db2.gz PTXSUUNFPCLQBJ-HXUWFJFHSA-N 1 3 370.545 2.502 20 0 FFADHO C[C@@H](CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)N1CCCCC1 ZINC000184510183 510364002 /nfs/dbraw/zinc/36/40/02/510364002.db2.gz PVQRLXFPTCQGLZ-HOTGVXAUSA-N 1 3 353.532 2.973 20 0 FFADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000184510216 510364920 /nfs/dbraw/zinc/36/49/20/510364920.db2.gz PVQRLXFPTCQGLZ-JKSUJKDBSA-N 1 3 353.532 2.973 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000184554553 510386134 /nfs/dbraw/zinc/38/61/34/510386134.db2.gz XWZMZCXAJYVXBR-VQTJNVASSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000184554553 510386140 /nfs/dbraw/zinc/38/61/40/510386140.db2.gz XWZMZCXAJYVXBR-VQTJNVASSA-N 1 3 360.546 2.784 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246289605 510410147 /nfs/dbraw/zinc/41/01/47/510410147.db2.gz KSJDTWZUGKENMA-XMTFNYHQSA-N 1 3 352.567 2.725 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C1 ZINC000246289605 510410153 /nfs/dbraw/zinc/41/01/53/510410153.db2.gz KSJDTWZUGKENMA-XMTFNYHQSA-N 1 3 352.567 2.725 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246365393 510450758 /nfs/dbraw/zinc/45/07/58/510450758.db2.gz GXVPPPAWUPHGEJ-NHCUHLMSSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246365393 510450763 /nfs/dbraw/zinc/45/07/63/510450763.db2.gz GXVPPPAWUPHGEJ-NHCUHLMSSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000246389921 510461664 /nfs/dbraw/zinc/46/16/64/510461664.db2.gz AVJQBVZPHYIYIU-GUDVDZBRSA-N 1 3 363.546 2.777 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000246398390 510467554 /nfs/dbraw/zinc/46/75/54/510467554.db2.gz CYJJSXZWMRKTBH-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000184697895 510469740 /nfs/dbraw/zinc/46/97/40/510469740.db2.gz IRNXELVWTVHFTC-QUCCMNQESA-N 1 3 358.530 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000184697895 510469751 /nfs/dbraw/zinc/46/97/51/510469751.db2.gz IRNXELVWTVHFTC-QUCCMNQESA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246412023 510476720 /nfs/dbraw/zinc/47/67/20/510476720.db2.gz LDRAKZMHNQYHTB-VQTJNVASSA-N 1 3 360.546 2.579 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246412023 510476724 /nfs/dbraw/zinc/47/67/24/510476724.db2.gz LDRAKZMHNQYHTB-VQTJNVASSA-N 1 3 360.546 2.579 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCc2occc21 ZINC000246418684 510480333 /nfs/dbraw/zinc/48/03/33/510480333.db2.gz SJWNOBLECKYXPV-WMZOPIPTSA-N 1 3 362.518 2.715 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCc2occc21 ZINC000246418684 510480337 /nfs/dbraw/zinc/48/03/37/510480337.db2.gz SJWNOBLECKYXPV-WMZOPIPTSA-N 1 3 362.518 2.715 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000175162347 510510968 /nfs/dbraw/zinc/51/09/68/510510968.db2.gz DMJWBZOGDSIORD-PMACEKPBSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2csc(CC[NH3+])n2)N2CCCC2)cc1 ZINC000194832224 510549657 /nfs/dbraw/zinc/54/96/57/510549657.db2.gz BFIOVXUQZSMEMC-QGZVFWFLSA-N 1 3 358.511 2.520 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000246645067 510599244 /nfs/dbraw/zinc/59/92/44/510599244.db2.gz QDPFAAPCGVBFDQ-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000246645067 510599249 /nfs/dbraw/zinc/59/92/49/510599249.db2.gz QDPFAAPCGVBFDQ-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)CC(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175409999 510633240 /nfs/dbraw/zinc/63/32/40/510633240.db2.gz XWZUTDOUOXFOKG-UHFFFAOYSA-N 1 3 352.567 2.917 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1C ZINC000266678142 510724299 /nfs/dbraw/zinc/72/42/99/510724299.db2.gz CBGRWPDDWFZRCL-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1C ZINC000266678142 510724303 /nfs/dbraw/zinc/72/43/03/510724303.db2.gz CBGRWPDDWFZRCL-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC2(C[NH+](C)C)CCCC2)o1 ZINC000185186085 510736470 /nfs/dbraw/zinc/73/64/70/510736470.db2.gz ZIISWDSDNJUYFN-UHFFFAOYSA-N 1 3 364.534 2.783 20 0 FFADHO CN(C(=O)[C@H](C[NH3+])c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000178767376 510761959 /nfs/dbraw/zinc/76/19/59/510761959.db2.gz WPZJZFDREKJIEH-OAQYLSRUSA-N 1 3 351.494 2.852 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000246982773 510781391 /nfs/dbraw/zinc/78/13/91/510781391.db2.gz PXQBQYAGVMJJIC-MHORFTMASA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000246982773 510781394 /nfs/dbraw/zinc/78/13/94/510781394.db2.gz PXQBQYAGVMJJIC-MHORFTMASA-N 1 3 350.551 2.669 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@]34CCc3ccccc34)CC2)CC1 ZINC000175813582 510804416 /nfs/dbraw/zinc/80/44/16/510804416.db2.gz SXIZJSNTIBDESS-GGAORHGYSA-N 1 3 367.537 2.565 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000247035946 510812172 /nfs/dbraw/zinc/81/21/72/510812172.db2.gz RJGDVTKCSGSSFZ-PXNSSMCTSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000247035946 510812179 /nfs/dbraw/zinc/81/21/79/510812179.db2.gz RJGDVTKCSGSSFZ-PXNSSMCTSA-N 1 3 361.530 2.615 20 0 FFADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247122383 510839724 /nfs/dbraw/zinc/83/97/24/510839724.db2.gz USMOZHXBUCAHNL-QYZOEREBSA-N 1 3 361.530 2.907 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247221876 510853054 /nfs/dbraw/zinc/85/30/54/510853054.db2.gz NEMYLUVRPULQKP-KSZLIROESA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000247221876 510853055 /nfs/dbraw/zinc/85/30/55/510853055.db2.gz NEMYLUVRPULQKP-KSZLIROESA-N 1 3 352.567 2.726 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000247307029 510856400 /nfs/dbraw/zinc/85/64/00/510856400.db2.gz QCNZMPGJLQKKMH-IIDMSEBBSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000247307029 510856401 /nfs/dbraw/zinc/85/64/01/510856401.db2.gz QCNZMPGJLQKKMH-IIDMSEBBSA-N 1 3 369.431 2.650 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC000247307029 510856402 /nfs/dbraw/zinc/85/64/02/510856402.db2.gz QCNZMPGJLQKKMH-IIDMSEBBSA-N 1 3 369.431 2.650 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)N(C)C)cc1 ZINC000297287163 510887895 /nfs/dbraw/zinc/88/78/95/510887895.db2.gz GRFDYXATZKFEHQ-IEBWSBKVSA-N 1 3 374.554 2.667 20 0 FFADHO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000285660062 510999301 /nfs/dbraw/zinc/99/93/01/510999301.db2.gz MDBNEILBKOIAAM-XFQXTVEOSA-N 1 3 361.530 2.971 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000279650510 511163088 /nfs/dbraw/zinc/16/30/88/511163088.db2.gz DZIJJISUMLKATI-YUMYIRISSA-N 1 3 355.526 2.745 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)CC2)nc(C)n1 ZINC000333339986 511210334 /nfs/dbraw/zinc/21/03/34/511210334.db2.gz XVKSQRYAJMPAHJ-VAMGGRTRSA-N 1 3 357.546 2.963 20 0 FFADHO C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000362703925 511220380 /nfs/dbraw/zinc/22/03/80/511220380.db2.gz RUCSRHSIPAKHCK-UZLBHIALSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000362703925 511220382 /nfs/dbraw/zinc/22/03/82/511220382.db2.gz RUCSRHSIPAKHCK-UZLBHIALSA-N 1 3 356.489 2.832 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000333433358 511242500 /nfs/dbraw/zinc/24/25/00/511242500.db2.gz UZCMJBJRXWIEMV-QNDFHXLGSA-N 1 3 370.541 2.727 20 0 FFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1OC ZINC000279992263 511294664 /nfs/dbraw/zinc/29/46/64/511294664.db2.gz FJTNCRNGLVHWQL-MSOLQXFVSA-N 1 3 363.546 2.813 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3=CCN(C)CC3)cc2)C1 ZINC000271775696 511320052 /nfs/dbraw/zinc/32/00/52/511320052.db2.gz ASVSZQDROMUSGE-SFHVURJKSA-N 1 3 370.541 2.980 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3=CCN(C)CC3)cc2)C1 ZINC000271775696 511320060 /nfs/dbraw/zinc/32/00/60/511320060.db2.gz ASVSZQDROMUSGE-SFHVURJKSA-N 1 3 370.541 2.980 20 0 FFADHO CCc1cc(N2CCC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)ncn1 ZINC000298542278 511322001 /nfs/dbraw/zinc/32/20/01/511322001.db2.gz TWDWDHSTKPGUQE-IBGZPJMESA-N 1 3 366.513 2.661 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000365245402 511339881 /nfs/dbraw/zinc/33/98/81/511339881.db2.gz WEDIDKLYJJDQGW-GCJKJVERSA-N 1 3 357.542 2.933 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000365245402 511339888 /nfs/dbraw/zinc/33/98/88/511339888.db2.gz WEDIDKLYJJDQGW-GCJKJVERSA-N 1 3 357.542 2.933 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333816689 511364522 /nfs/dbraw/zinc/36/45/22/511364522.db2.gz QLCDJHYGUIGJQB-IPMKNSEASA-N 1 3 362.562 2.720 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333889951 511384082 /nfs/dbraw/zinc/38/40/82/511384082.db2.gz GRIZDUGKWZIMMO-YFVAEKQCSA-N 1 3 370.541 2.647 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292024367 511436231 /nfs/dbraw/zinc/43/62/31/511436231.db2.gz CRMLGDOYEHIQPA-IAGOWNOFSA-N 1 3 359.514 2.540 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000283628540 511441087 /nfs/dbraw/zinc/44/10/87/511441087.db2.gz BISSAWIVJJIJGT-KDOFPFPSSA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000283628540 511441094 /nfs/dbraw/zinc/44/10/94/511441094.db2.gz BISSAWIVJJIJGT-KDOFPFPSSA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000283629721 511441456 /nfs/dbraw/zinc/44/14/56/511441456.db2.gz BISSAWIVJJIJGT-RDTXWAMCSA-N 1 3 364.921 2.726 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000283629721 511441461 /nfs/dbraw/zinc/44/14/61/511441461.db2.gz BISSAWIVJJIJGT-RDTXWAMCSA-N 1 3 364.921 2.726 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2=CCN(C)CC2)C1 ZINC000272135344 511442141 /nfs/dbraw/zinc/44/21/41/511442141.db2.gz XHEODHGQEYQFRQ-GOSISDBHSA-N 1 3 370.541 2.980 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2=CCN(C)CC2)C1 ZINC000272135344 511442148 /nfs/dbraw/zinc/44/21/48/511442148.db2.gz XHEODHGQEYQFRQ-GOSISDBHSA-N 1 3 370.541 2.980 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(Br)c2F)CC1 ZINC000295714808 511493983 /nfs/dbraw/zinc/49/39/83/511493983.db2.gz NDHRNSMUZSWFEQ-UHFFFAOYSA-N 1 3 359.283 2.913 20 0 FFADHO COc1cc(CN2CCC(OC)CC2)cc(CN2CCC(OC)CC2)c1 ZINC000292477372 511611895 /nfs/dbraw/zinc/61/18/95/511611895.db2.gz AEDLEFBNAKXNKH-UHFFFAOYSA-N 1 3 362.514 2.917 20 0 FFADHO COc1cc(CN2CCC(OC)CC2)cc(C[NH+]2CCC(OC)CC2)c1 ZINC000292477372 511611901 /nfs/dbraw/zinc/61/19/01/511611901.db2.gz AEDLEFBNAKXNKH-UHFFFAOYSA-N 1 3 362.514 2.917 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000284126830 511615282 /nfs/dbraw/zinc/61/52/82/511615282.db2.gz OADWSYHTYNLWLW-FGZHOGPDSA-N 1 3 359.558 2.941 20 0 FFADHO CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000284283180 511667909 /nfs/dbraw/zinc/66/79/09/511667909.db2.gz XMKVZHNDZUXCBP-MOPGFXCFSA-N 1 3 350.528 2.728 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000311823875 511779535 /nfs/dbraw/zinc/77/95/35/511779535.db2.gz QVCZEYHXEMZLNJ-HFSMHLIXSA-N 1 3 351.494 2.961 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000311823875 511779538 /nfs/dbraw/zinc/77/95/38/511779538.db2.gz QVCZEYHXEMZLNJ-HFSMHLIXSA-N 1 3 351.494 2.961 20 0 FFADHO Brc1cnn(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)c1 ZINC000314771035 511795880 /nfs/dbraw/zinc/79/58/80/511795880.db2.gz LCVYAQLZIPSKJL-HRCADAONSA-N 1 3 355.324 2.936 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000293131925 511852347 /nfs/dbraw/zinc/85/23/47/511852347.db2.gz ZWWPQNONDUQGAC-IFMALSPDSA-N 1 3 355.526 2.988 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000293131925 511852351 /nfs/dbraw/zinc/85/23/51/511852351.db2.gz ZWWPQNONDUQGAC-IFMALSPDSA-N 1 3 355.526 2.988 20 0 FFADHO O=C1CC[C@H](CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCN1 ZINC000296903411 511943798 /nfs/dbraw/zinc/94/37/98/511943798.db2.gz ZGKQFXWSUMNPHX-PCCBWWKXSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CC[C@H](CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCN1 ZINC000296903411 511943802 /nfs/dbraw/zinc/94/38/02/511943802.db2.gz ZGKQFXWSUMNPHX-PCCBWWKXSA-N 1 3 355.526 2.889 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000296915323 511948398 /nfs/dbraw/zinc/94/83/98/511948398.db2.gz FJVCQRYBWPKCKK-VTHDOGFWSA-N 1 3 370.541 2.821 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000296915323 511948405 /nfs/dbraw/zinc/94/84/05/511948405.db2.gz FJVCQRYBWPKCKK-VTHDOGFWSA-N 1 3 370.541 2.821 20 0 FFADHO CN(CCCN(C)C(=O)NC1CC[NH+](C2CCC2)CC1)Cc1ccco1 ZINC000297122381 512027805 /nfs/dbraw/zinc/02/78/05/512027805.db2.gz RCNTYQSHYDKUKJ-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1F ZINC000364229211 512032372 /nfs/dbraw/zinc/03/23/72/512032372.db2.gz WOWFFNOQJBBBBF-AEFFLSMTSA-N 1 3 363.521 2.771 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000281978447 512034174 /nfs/dbraw/zinc/03/41/74/512034174.db2.gz ONSTWDXQROZHMA-FQEVSTJZSA-N 1 3 351.510 2.911 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000373819340 512521015 /nfs/dbraw/zinc/52/10/15/512521015.db2.gz XAPGABDNVOEVER-HLAWJBBLSA-N 1 3 354.498 2.864 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000378200008 512636369 /nfs/dbraw/zinc/63/63/69/512636369.db2.gz BRPWWPZCHGQJRN-VCSGRIEYSA-N 1 3 355.526 2.950 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000369913369 512679201 /nfs/dbraw/zinc/67/92/01/512679201.db2.gz QAKCSWSASWVETI-HKBOAZHASA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000369913369 512679204 /nfs/dbraw/zinc/67/92/04/512679204.db2.gz QAKCSWSASWVETI-HKBOAZHASA-N 1 3 370.541 2.919 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@H]1c1cccs1 ZINC000372106296 512718810 /nfs/dbraw/zinc/71/88/10/512718810.db2.gz XVMVJKHJTNNALK-MJGOQNOKSA-N 1 3 369.534 2.744 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@H]1c1cccs1 ZINC000372106296 512718816 /nfs/dbraw/zinc/71/88/16/512718816.db2.gz XVMVJKHJTNNALK-MJGOQNOKSA-N 1 3 369.534 2.744 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CNC(C)(C)COCc2ccccc2)CC1 ZINC000411665323 512744760 /nfs/dbraw/zinc/74/47/60/512744760.db2.gz DQNZVNLAYOAIDZ-UHFFFAOYSA-N 1 3 361.530 2.560 20 0 FFADHO C[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CN1CCCC1 ZINC000387307163 512892846 /nfs/dbraw/zinc/89/28/46/512892846.db2.gz OPIASEMMSKUEKK-GDBMZVCRSA-N 1 3 371.319 2.510 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390795453 512910073 /nfs/dbraw/zinc/91/00/73/512910073.db2.gz ZVFCNSHUJAUQRF-HXUWFJFHSA-N 1 3 351.494 2.843 20 0 FFADHO CC(C)[C@H](Cn1cccn1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397530644 512947602 /nfs/dbraw/zinc/94/76/02/512947602.db2.gz ZEHVSRYTSRYURB-FQEVSTJZSA-N 1 3 356.514 2.524 20 0 FFADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC)c(OC)c1 ZINC000370636636 513026428 /nfs/dbraw/zinc/02/64/28/513026428.db2.gz RZTCKAKCJJTPGT-IEBWSBKVSA-N 1 3 361.530 2.913 20 0 FFADHO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C2 ZINC000370670968 513044427 /nfs/dbraw/zinc/04/44/27/513044427.db2.gz KBGULNHDONMDPT-HNAYVOBHSA-N 1 3 354.498 2.934 20 0 FFADHO CN1CCC(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374913211 513070330 /nfs/dbraw/zinc/07/03/30/513070330.db2.gz GBVASMSRVIJHKV-QHAWAJNXSA-N 1 3 355.526 2.745 20 0 FFADHO CN1CCC(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374913211 513070333 /nfs/dbraw/zinc/07/03/33/513070333.db2.gz GBVASMSRVIJHKV-QHAWAJNXSA-N 1 3 355.526 2.745 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)[C@@H]1c1cccs1 ZINC000445873279 513134444 /nfs/dbraw/zinc/13/44/44/513134444.db2.gz DQQYYYGMJWTJHY-DOTOQJQBSA-N 1 3 364.559 2.915 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc(C)cc(C[NH3+])c2)cc1 ZINC000424430092 513141247 /nfs/dbraw/zinc/14/12/47/513141247.db2.gz ZCEDTDRCDOIQHY-IBGZPJMESA-N 1 3 356.470 2.887 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NCCc2ccc(OCCN(C)C)cc2)c1 ZINC000424436344 513145252 /nfs/dbraw/zinc/14/52/52/513145252.db2.gz MIAZBQULBQXMSZ-UHFFFAOYSA-N 1 3 370.497 2.758 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000417698489 513170044 /nfs/dbraw/zinc/17/00/44/513170044.db2.gz GIFWTEACDOFRRH-KANFNMMFSA-N 1 3 358.530 2.885 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H]1c1ccccc1 ZINC000433899562 513181004 /nfs/dbraw/zinc/18/10/04/513181004.db2.gz ZZSRAHHAWMCWKN-SLFFLAALSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H]1c1ccccc1 ZINC000433899562 513181007 /nfs/dbraw/zinc/18/10/07/513181007.db2.gz ZZSRAHHAWMCWKN-SLFFLAALSA-N 1 3 356.514 2.748 20 0 FFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000417738242 513188735 /nfs/dbraw/zinc/18/87/35/513188735.db2.gz OOUMOUZRIRIKBA-UXLLHSPISA-N 1 3 350.532 2.524 20 0 FFADHO CN(C)[C@]1(CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCSC1 ZINC000417809046 513215400 /nfs/dbraw/zinc/21/54/00/513215400.db2.gz AQEZXKZTWQKYIX-QUCCMNQESA-N 1 3 372.538 2.576 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417833220 513227351 /nfs/dbraw/zinc/22/73/51/513227351.db2.gz UISMFNLWBXQIQC-AFYVEPGGSA-N 1 3 358.530 2.714 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417834339 513228147 /nfs/dbraw/zinc/22/81/47/513228147.db2.gz UWOPPJLKPUCBBM-PIKOESSRSA-N 1 3 358.530 2.666 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000446292439 513228442 /nfs/dbraw/zinc/22/84/42/513228442.db2.gz RHSDMHCOMAOOOD-NNMXDRDESA-N 1 3 371.525 2.796 20 0 FFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003226 513248353 /nfs/dbraw/zinc/24/83/53/513248353.db2.gz PFGMTYIPPLXKHH-FUPPJEDESA-N 1 3 370.585 2.861 20 0 FFADHO C[C@H]1C[C@H]1[N@H+]1CCN(CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003226 513248356 /nfs/dbraw/zinc/24/83/56/513248356.db2.gz PFGMTYIPPLXKHH-FUPPJEDESA-N 1 3 370.585 2.861 20 0 FFADHO C[C@H]1C[C@H]1N1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003226 513248361 /nfs/dbraw/zinc/24/83/61/513248361.db2.gz PFGMTYIPPLXKHH-FUPPJEDESA-N 1 3 370.585 2.861 20 0 FFADHO C[C@H]1C[C@H]1N1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H](C)C1 ZINC000429003226 513248367 /nfs/dbraw/zinc/24/83/67/513248367.db2.gz PFGMTYIPPLXKHH-FUPPJEDESA-N 1 3 370.585 2.861 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000417886333 513255161 /nfs/dbraw/zinc/25/51/61/513255161.db2.gz ZBBJHBHERRITSY-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2CCN[C@@H](C)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000417933539 513286253 /nfs/dbraw/zinc/28/62/53/513286253.db2.gz XPYLDWFKJPZEHV-CGBFIWBNSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2CCN[C@@H](C)[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000417933539 513286259 /nfs/dbraw/zinc/28/62/59/513286259.db2.gz XPYLDWFKJPZEHV-CGBFIWBNSA-N 1 3 358.530 2.679 20 0 FFADHO COC[C@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000446819481 513344418 /nfs/dbraw/zinc/34/44/18/513344418.db2.gz YBTVAGNLHYVWCE-RTWAWAEBSA-N 1 3 373.541 2.679 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418034292 513345598 /nfs/dbraw/zinc/34/55/98/513345598.db2.gz OFSKONAPJGMNQX-BURNTYAHSA-N 1 3 372.557 2.830 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000421685634 513370125 /nfs/dbraw/zinc/37/01/25/513370125.db2.gz UBLLBSVXIQYHFE-UHFFFAOYSA-N 1 3 372.557 2.820 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418129276 513384013 /nfs/dbraw/zinc/38/40/13/513384013.db2.gz BFAATIXMWUUWIO-WOJBJXKFSA-N 1 3 360.546 2.912 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000418146949 513391738 /nfs/dbraw/zinc/39/17/38/513391738.db2.gz PTTWFULWKAQIAV-HSALFYBXSA-N 1 3 358.530 2.714 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418154239 513395169 /nfs/dbraw/zinc/39/51/69/513395169.db2.gz JLNCVJZYKJQANT-AABGKKOBSA-N 1 3 370.541 2.538 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418158513 513396976 /nfs/dbraw/zinc/39/69/76/513396976.db2.gz PXWKMKRUBIENMT-KNQAVFIVSA-N 1 3 370.541 2.682 20 0 FFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000418169932 513403774 /nfs/dbraw/zinc/40/37/74/513403774.db2.gz QXIHNGHASDCGOC-RDJZCZTQSA-N 1 3 350.507 2.740 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000418175727 513406638 /nfs/dbraw/zinc/40/66/38/513406638.db2.gz SZSSQNKPZRDNQK-GOSISDBHSA-N 1 3 350.551 2.803 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000418179351 513407940 /nfs/dbraw/zinc/40/79/40/513407940.db2.gz ALAIMHVHFHOBRB-SZVBFZGTSA-N 1 3 362.518 2.516 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000418187204 513411337 /nfs/dbraw/zinc/41/13/37/513411337.db2.gz DCKWJXWKTIUIHQ-IRLDBZIGSA-N 1 3 372.557 2.883 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000418187206 513411473 /nfs/dbraw/zinc/41/14/73/513411473.db2.gz DCKWJXWKTIUIHQ-RBBKRZOGSA-N 1 3 372.557 2.883 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418191172 513414895 /nfs/dbraw/zinc/41/48/95/513414895.db2.gz KMNDZOOOZUPPKS-HKBOAZHASA-N 1 3 372.557 2.739 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418195847 513415824 /nfs/dbraw/zinc/41/58/24/513415824.db2.gz QJRHHUYLBLYQRX-AHRSYUTCSA-N 1 3 360.546 2.785 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)N(CC)CC)cc1 ZINC000418218649 513426325 /nfs/dbraw/zinc/42/63/25/513426325.db2.gz RFALWHTXSPLBNI-HKBOAZHASA-N 1 3 372.557 2.883 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000418230844 513432067 /nfs/dbraw/zinc/43/20/67/513432067.db2.gz KAJORNMENSEQFF-KSSFIOAISA-N 1 3 364.559 2.780 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000418235683 513435443 /nfs/dbraw/zinc/43/54/43/513435443.db2.gz SSOMCGSWLIRTNU-DQPZFDDXSA-N 1 3 350.532 2.580 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000418247920 513440864 /nfs/dbraw/zinc/44/08/64/513440864.db2.gz RHRNPQJCCGWVMB-NRFANRHFSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000418285919 513452642 /nfs/dbraw/zinc/45/26/42/513452642.db2.gz GXJSZVIEBLTHLS-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000447380351 513458823 /nfs/dbraw/zinc/45/88/23/513458823.db2.gz DLRNZXCEVFKRDW-IAGOWNOFSA-N 1 3 350.507 2.616 20 0 FFADHO [NH3+]CCCNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418312197 513458833 /nfs/dbraw/zinc/45/88/33/513458833.db2.gz NQDVUDJVABMRHW-UHFFFAOYSA-N 1 3 373.328 2.950 20 0 FFADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000418313963 513459195 /nfs/dbraw/zinc/45/91/95/513459195.db2.gz RCDQMZRXMUKKMI-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO NC(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421884578 513461301 /nfs/dbraw/zinc/46/13/01/513461301.db2.gz QUQIQJAFRDGISB-SLFFLAALSA-N 1 3 355.526 2.922 20 0 FFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418340334 513472753 /nfs/dbraw/zinc/47/27/53/513472753.db2.gz GIFHDLLMRFWWBY-JBACZVJFSA-N 1 3 370.541 2.540 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418346084 513476347 /nfs/dbraw/zinc/47/63/47/513476347.db2.gz PMQFPRKUUPNIHJ-PMACEKPBSA-N 1 3 358.530 2.540 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418348179 513477852 /nfs/dbraw/zinc/47/78/52/513477852.db2.gz OFVGCYCSDVWCQN-CTNGQTDRSA-N 1 3 372.557 2.930 20 0 FFADHO CCCN(C(=O)NC[C@@H](C)C[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418385795 513491468 /nfs/dbraw/zinc/49/14/68/513491468.db2.gz KUCIBGYOTFUXJU-ICSRJNTNSA-N 1 3 360.546 2.928 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC(C)(C)[NH3+] ZINC000418416277 513500476 /nfs/dbraw/zinc/50/04/76/513500476.db2.gz PWQDIRIEVWEQTA-UHFFFAOYSA-N 1 3 360.424 2.516 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000415961513 513500851 /nfs/dbraw/zinc/50/08/51/513500851.db2.gz RMZRRIYBDVYAIP-INIZCTEOSA-N 1 3 360.477 2.857 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000415961513 513500856 /nfs/dbraw/zinc/50/08/56/513500856.db2.gz RMZRRIYBDVYAIP-INIZCTEOSA-N 1 3 360.477 2.857 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000418425056 513503273 /nfs/dbraw/zinc/50/32/73/513503273.db2.gz HSWXFQQUTBMMND-ROUUACIJSA-N 1 3 360.889 2.942 20 0 FFADHO [NH3+]CCOc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000415966102 513505317 /nfs/dbraw/zinc/50/53/17/513505317.db2.gz VPKSWEDOWBGMTH-FQEVSTJZSA-N 1 3 368.481 2.983 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418427822 513505336 /nfs/dbraw/zinc/50/53/36/513505336.db2.gz PDXWIXKNGWJWCV-UHFFFAOYSA-N 1 3 361.534 2.847 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000415968321 513506982 /nfs/dbraw/zinc/50/69/82/513506982.db2.gz FIPXREPCQTWQDR-OAHLLOKOSA-N 1 3 360.477 2.811 20 0 FFADHO COc1cc([C@H](C)NCC2CC[NH+](C3CC3)CC2)ccc1S(C)(=O)=O ZINC000447573609 513512485 /nfs/dbraw/zinc/51/24/85/513512485.db2.gz SLFIHEMDIZCPPE-AWEZNQCLSA-N 1 3 366.527 2.624 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ncccc2C[NH3+])N(C)C)cc1 ZINC000415983618 513517086 /nfs/dbraw/zinc/51/70/86/513517086.db2.gz AHOPUYUCWRJWER-SFHVURJKSA-N 1 3 371.485 2.752 20 0 FFADHO C[C@H](C[NH3+])CNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418481372 513528429 /nfs/dbraw/zinc/52/84/29/513528429.db2.gz DFUFZUYGEICBBI-XLIONFOSSA-N 1 3 372.557 2.913 20 0 FFADHO CCCN(C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418497965 513533194 /nfs/dbraw/zinc/53/31/94/513533194.db2.gz KYLXSVLTUJKGIE-WOJBJXKFSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000416007567 513534742 /nfs/dbraw/zinc/53/47/42/513534742.db2.gz MYFOCNZXMPIMRM-GXTWGEPZSA-N 1 3 360.424 2.695 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418502593 513535911 /nfs/dbraw/zinc/53/59/11/513535911.db2.gz VPPRYKPPEZECNQ-MRXNPFEDSA-N 1 3 372.435 2.516 20 0 FFADHO CCCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000441338911 513544539 /nfs/dbraw/zinc/54/45/39/513544539.db2.gz XVIQHWMSJUHYMU-UHFFFAOYSA-N 1 3 363.546 2.990 20 0 FFADHO C[C@@H]1C[N@@H+](CCC2CCN([C@H]3CCN(C(C)(C)C)C3=O)CC2)C[C@H](C)O1 ZINC000425413965 513551046 /nfs/dbraw/zinc/55/10/46/513551046.db2.gz CYDKWUYCNPAMND-SCTDSRPQSA-N 1 3 365.562 2.597 20 0 FFADHO C[C@@H]1C[N@H+](CCC2CCN([C@H]3CCN(C(C)(C)C)C3=O)CC2)C[C@H](C)O1 ZINC000425413965 513551056 /nfs/dbraw/zinc/55/10/56/513551056.db2.gz CYDKWUYCNPAMND-SCTDSRPQSA-N 1 3 365.562 2.597 20 0 FFADHO CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418629956 513582221 /nfs/dbraw/zinc/58/22/21/513582221.db2.gz WYBLVBWDCGTUDI-UXHICEINSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425473216 513583953 /nfs/dbraw/zinc/58/39/53/513583953.db2.gz KJDMVWGRGAJLPN-DOIPELPJSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418638834 513586489 /nfs/dbraw/zinc/58/64/89/513586489.db2.gz LBFRSOYRHGSRAU-SFHVURJKSA-N 1 3 364.509 2.677 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418655719 513596429 /nfs/dbraw/zinc/59/64/29/513596429.db2.gz DBSCYBRFZKHORF-JRGCBEDISA-N 1 3 370.541 2.681 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000418657781 513596877 /nfs/dbraw/zinc/59/68/77/513596877.db2.gz UXNYGMVVHVYJLQ-PXNSSMCTSA-N 1 3 358.530 2.622 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000418657781 513596883 /nfs/dbraw/zinc/59/68/83/513596883.db2.gz UXNYGMVVHVYJLQ-PXNSSMCTSA-N 1 3 358.530 2.622 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418664408 513601873 /nfs/dbraw/zinc/60/18/73/513601873.db2.gz AQVMHBJCJLRCGU-QGZVFWFLSA-N 1 3 361.534 2.847 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416151786 513603368 /nfs/dbraw/zinc/60/33/68/513603368.db2.gz SJAORJPDOGIJRZ-HXUWFJFHSA-N 1 3 354.498 2.665 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418688082 513611931 /nfs/dbraw/zinc/61/19/31/513611931.db2.gz SMQYWRWEAFHZOZ-LEWJYISDSA-N 1 3 366.509 2.515 20 0 FFADHO CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418717328 513621386 /nfs/dbraw/zinc/62/13/86/513621386.db2.gz HCVFBIXOCZQNFN-HNNXBMFYSA-N 1 3 360.424 2.516 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000422237021 513651853 /nfs/dbraw/zinc/65/18/53/513651853.db2.gz PTUJSABOUVWIBZ-RYRKJORJSA-N 1 3 364.559 2.867 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000422237021 513651859 /nfs/dbraw/zinc/65/18/59/513651859.db2.gz PTUJSABOUVWIBZ-RYRKJORJSA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000418799175 513661536 /nfs/dbraw/zinc/66/15/36/513661536.db2.gz TWPBLYGNDQZILJ-AYWYSENESA-N 1 3 370.541 2.538 20 0 FFADHO c1cc(C[NH+]2CCCCC2)cc(-c2noc(C[C@H]3CSCCN3)n2)c1 ZINC000435724639 513667955 /nfs/dbraw/zinc/66/79/55/513667955.db2.gz CZOLECBIAAGRJN-KRWDZBQOSA-N 1 3 358.511 2.970 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425640501 513675303 /nfs/dbraw/zinc/67/53/03/513675303.db2.gz QIWFDEXBFSVMQM-VQTJNVASSA-N 1 3 358.530 2.764 20 0 FFADHO COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC(C[NH3+])CC3)ccc2c1 ZINC000430604189 513702896 /nfs/dbraw/zinc/70/28/96/513702896.db2.gz PMKMSYDAMKLQOJ-INIZCTEOSA-N 1 3 369.509 2.866 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425694128 513706243 /nfs/dbraw/zinc/70/62/43/513706243.db2.gz VYXXBFDWAJXBII-GFOJFJKKSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425694128 513706255 /nfs/dbraw/zinc/70/62/55/513706255.db2.gz VYXXBFDWAJXBII-GFOJFJKKSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000430675995 513719923 /nfs/dbraw/zinc/71/99/23/513719923.db2.gz BYPAFOYJIVEXID-AEFFLSMTSA-N 1 3 359.514 2.608 20 0 FFADHO COc1cc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)ccc1OCC[NH+](C)C ZINC000416342903 513723044 /nfs/dbraw/zinc/72/30/44/513723044.db2.gz QNFLKASITJUJOA-OAGGEKHMSA-N 1 3 363.502 2.835 20 0 FFADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000430698187 513726385 /nfs/dbraw/zinc/72/63/85/513726385.db2.gz COFKYXBMHSEXQR-JBACZVJFSA-N 1 3 371.525 2.698 20 0 FFADHO C[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCC[C@H](C)C1 ZINC000430738186 513737956 /nfs/dbraw/zinc/73/79/56/513737956.db2.gz FCNTZUQZPMQITG-DLBZAZTESA-N 1 3 356.514 2.840 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000448470638 513764064 /nfs/dbraw/zinc/76/40/64/513764064.db2.gz HATFEZGWKARSNI-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000448470638 513764072 /nfs/dbraw/zinc/76/40/72/513764072.db2.gz HATFEZGWKARSNI-RTBURBONSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000448470637 513764552 /nfs/dbraw/zinc/76/45/52/513764552.db2.gz HATFEZGWKARSNI-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000448470637 513764556 /nfs/dbraw/zinc/76/45/56/513764556.db2.gz HATFEZGWKARSNI-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO CCC[C@](C)(N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430874570 513770486 /nfs/dbraw/zinc/77/04/86/513770486.db2.gz FCFHZVNFOLNDHE-FQEVSTJZSA-N 1 3 360.502 2.957 20 0 FFADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(Br)cc1F ZINC000442759497 513771576 /nfs/dbraw/zinc/77/15/76/513771576.db2.gz RCQUFODVMRVITR-WDEREUQCSA-N 1 3 358.255 2.586 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c(F)c1 ZINC000413909931 513876315 /nfs/dbraw/zinc/87/63/15/513876315.db2.gz FHQUIBYXLJWJDU-UHFFFAOYSA-N 1 3 363.477 2.969 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000422720341 513911936 /nfs/dbraw/zinc/91/19/36/513911936.db2.gz ZFVHPDAPNXHQNH-HSALFYBXSA-N 1 3 364.555 2.892 20 0 FFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])N1CCCCC1 ZINC000422717983 513913051 /nfs/dbraw/zinc/91/30/51/513913051.db2.gz WNILCGLLVBGZRJ-FFGOWVMKSA-N 1 3 361.530 2.564 20 0 FFADHO CN1CCN(c2ccc(C(F)(F)F)cc2CN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422782492 513930749 /nfs/dbraw/zinc/93/07/49/513930749.db2.gz NERDQPFDVKBVGI-RHSMWYFYSA-N 1 3 370.463 2.674 20 0 FFADHO c1ccc2c(c1)CCN(CCN[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422799869 513935410 /nfs/dbraw/zinc/93/54/10/513935410.db2.gz ADRFNMHQZNRBTA-FYYLOGMGSA-N 1 3 363.505 2.890 20 0 FFADHO [NH3+][C@H]1CCC[C@@H]1NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422843657 513949126 /nfs/dbraw/zinc/94/91/26/513949126.db2.gz JDHRDLPYHDEUOT-GOTSBHOMSA-N 1 3 364.537 2.978 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422873791 513957603 /nfs/dbraw/zinc/95/76/03/513957603.db2.gz BBELROOLHVUKHI-VOQZNFBZSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422873791 513957609 /nfs/dbraw/zinc/95/76/09/513957609.db2.gz BBELROOLHVUKHI-VOQZNFBZSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422873793 513958583 /nfs/dbraw/zinc/95/85/83/513958583.db2.gz BBELROOLHVUKHI-YHYVQYDKSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422873793 513958586 /nfs/dbraw/zinc/95/85/86/513958586.db2.gz BBELROOLHVUKHI-YHYVQYDKSA-N 1 3 357.542 2.775 20 0 FFADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000422877223 513960359 /nfs/dbraw/zinc/96/03/59/513960359.db2.gz HKWWTZZIFNAPLQ-LPHOPBHVSA-N 1 3 365.949 2.909 20 0 FFADHO C[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)CN1CCCCC1 ZINC000414071070 513964045 /nfs/dbraw/zinc/96/40/45/513964045.db2.gz LOVCDDTUFMOQDM-HUUCEWRRSA-N 1 3 370.335 2.711 20 0 FFADHO C[C@@H](NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422891950 513966303 /nfs/dbraw/zinc/96/63/03/513966303.db2.gz WZJRZSWLMAPTMG-VQIMIIECSA-N 1 3 350.938 2.582 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000422896448 513968280 /nfs/dbraw/zinc/96/82/80/513968280.db2.gz IHIJBURJFWPTCR-CGTJXYLNSA-N 1 3 360.498 2.959 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416799841 513971222 /nfs/dbraw/zinc/97/12/22/513971222.db2.gz DUMJVXFLSGAKSM-XUVXKRRUSA-N 1 3 358.530 2.853 20 0 FFADHO CC(C)c1noc(CCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422931233 513979608 /nfs/dbraw/zinc/97/96/08/513979608.db2.gz BDYGJWDCNWVLMH-OXQOHEQNSA-N 1 3 356.470 2.971 20 0 FFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422942853 513984557 /nfs/dbraw/zinc/98/45/57/513984557.db2.gz KSSCXVHCXNQYTN-ZQIUZPCESA-N 1 3 352.320 2.992 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C[C@H]1C[NH3+] ZINC000416831344 513989225 /nfs/dbraw/zinc/98/92/25/513989225.db2.gz BAQOIGMQGOEJDY-OAGGEKHMSA-N 1 3 350.532 2.511 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422961625 513993066 /nfs/dbraw/zinc/99/30/66/513993066.db2.gz COHOGIPNMRCCCS-YPAWHYETSA-N 1 3 368.525 2.860 20 0 FFADHO CCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416841287 513995161 /nfs/dbraw/zinc/99/51/61/513995161.db2.gz LXKOJNOXJXPHPP-MRXNPFEDSA-N 1 3 352.548 2.820 20 0 FFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000422978682 513997154 /nfs/dbraw/zinc/99/71/54/513997154.db2.gz KDDMHOCKKXOGQX-RYFAJOAYSA-N 1 3 359.558 2.770 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416841769 513997441 /nfs/dbraw/zinc/99/74/41/513997441.db2.gz IAYFBEGONKACAM-GOSISDBHSA-N 1 3 362.518 2.649 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)ncn1 ZINC000422986004 513999435 /nfs/dbraw/zinc/99/94/35/513999435.db2.gz GHZCHAAYOROCSU-LSTHTHJFSA-N 1 3 353.514 2.556 20 0 FFADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000416848491 514000503 /nfs/dbraw/zinc/00/05/03/514000503.db2.gz WVDXQUKAZUBWJC-HZPDHXFCSA-N 1 3 350.532 2.669 20 0 FFADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414183743 514001816 /nfs/dbraw/zinc/00/18/16/514001816.db2.gz FKFOYUASVJDQOQ-VQTJNVASSA-N 1 3 351.579 2.978 20 0 FFADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416857753 514008319 /nfs/dbraw/zinc/00/83/19/514008319.db2.gz YHGDUGZGRJVUFO-JKSUJKDBSA-N 1 3 352.548 2.948 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000416859273 514008991 /nfs/dbraw/zinc/00/89/91/514008991.db2.gz ZUFMBTQRLGVUBA-SJORKVTESA-N 1 3 364.559 2.962 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000416859257 514009344 /nfs/dbraw/zinc/00/93/44/514009344.db2.gz ZSYAQTGDGSKLEY-OXQOHEQNSA-N 1 3 354.498 2.678 20 0 FFADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414207684 514012772 /nfs/dbraw/zinc/01/27/72/514012772.db2.gz ZUGRPQKMWLMMMN-AZUAARDMSA-N 1 3 357.542 2.930 20 0 FFADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040442 514015547 /nfs/dbraw/zinc/01/55/47/514015547.db2.gz HBMHIOPRYHGZKJ-KNEBKQPDSA-N 1 3 367.896 2.805 20 0 FFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000414263099 514026616 /nfs/dbraw/zinc/02/66/16/514026616.db2.gz JAYNXOJTUYECDX-ISMARYCFSA-N 1 3 359.558 2.842 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416892660 514028705 /nfs/dbraw/zinc/02/87/05/514028705.db2.gz BEPOQGYBAAUVMP-PMACEKPBSA-N 1 3 356.514 2.566 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000423077271 514031578 /nfs/dbraw/zinc/03/15/78/514031578.db2.gz STXASMDBCILXRZ-OIISXLGYSA-N 1 3 355.320 2.850 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000416918268 514045383 /nfs/dbraw/zinc/04/53/83/514045383.db2.gz IXLROAJGZYZFCT-KVSKMBFKSA-N 1 3 362.518 2.505 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C2CCN(CCN(C)C)CC2)CC1 ZINC000449073488 514061936 /nfs/dbraw/zinc/06/19/36/514061936.db2.gz IQSRRJNGHLXLTQ-HXUWFJFHSA-N 1 3 372.601 2.698 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000423156140 514063414 /nfs/dbraw/zinc/06/34/14/514063414.db2.gz MDVXFEDIMDKIJB-QRTARXTBSA-N 1 3 355.320 2.626 20 0 FFADHO COc1cc(CN(C)[C@H]2C[C@@H](OC)C2)cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000436986015 514063643 /nfs/dbraw/zinc/06/36/43/514063643.db2.gz DWTUXHFWEIBECZ-MODQELJYSA-N 1 3 362.514 2.914 20 0 FFADHO COc1cc(CN(C)[C@H]2C[C@@H](OC)C2)cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000436986015 514063646 /nfs/dbraw/zinc/06/36/46/514063646.db2.gz DWTUXHFWEIBECZ-MODQELJYSA-N 1 3 362.514 2.914 20 0 FFADHO C[C@H](C[NH3+])CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416956856 514067012 /nfs/dbraw/zinc/06/70/12/514067012.db2.gz KHAFCNHDPMJAQV-MRXNPFEDSA-N 1 3 354.498 2.809 20 0 FFADHO COc1ccc([C@H](NCCCN2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423177378 514069346 /nfs/dbraw/zinc/06/93/46/514069346.db2.gz DSWNONUNTTUNSZ-OAQYLSRUSA-N 1 3 357.473 2.809 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000416963338 514071434 /nfs/dbraw/zinc/07/14/34/514071434.db2.gz RLPHWOWIQGMFOS-FQEVSTJZSA-N 1 3 366.509 2.966 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000416969340 514074401 /nfs/dbraw/zinc/07/44/01/514074401.db2.gz BOLHGLJOYJZGJE-OXJNMPFZSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000423190271 514075618 /nfs/dbraw/zinc/07/56/18/514075618.db2.gz QVLHISPBDSIALV-DENIHFKCSA-N 1 3 368.525 2.613 20 0 FFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC000449126739 514084290 /nfs/dbraw/zinc/08/42/90/514084290.db2.gz VRUXHZBVIXMVJO-SFHVURJKSA-N 1 3 366.594 2.595 20 0 FFADHO c1nc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)oc1-c1ccccc1 ZINC000420325428 514094877 /nfs/dbraw/zinc/09/48/77/514094877.db2.gz WKCKSXMQFCWPBA-GOSISDBHSA-N 1 3 354.498 2.849 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000417004104 514109532 /nfs/dbraw/zinc/10/95/32/514109532.db2.gz CIMFZLGZGDNHDC-RYRKJORJSA-N 1 3 350.551 2.526 20 0 FFADHO N[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)C1CCC1 ZINC000423358904 514116065 /nfs/dbraw/zinc/11/60/65/514116065.db2.gz CKMVQAQIOQCRJI-LJQANCHMSA-N 1 3 358.486 2.567 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccsc1 ZINC000417014169 514119519 /nfs/dbraw/zinc/11/95/19/514119519.db2.gz ZUHALYQBMDKSNL-DJIMGWMZSA-N 1 3 352.548 2.757 20 0 FFADHO CCCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000417027068 514127826 /nfs/dbraw/zinc/12/78/26/514127826.db2.gz ZNZLLJVWPJUFCD-WOJBJXKFSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000423400225 514130309 /nfs/dbraw/zinc/13/03/09/514130309.db2.gz WVVGDWCVXHNACY-RISCZKNCSA-N 1 3 367.362 2.775 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000444129670 514131436 /nfs/dbraw/zinc/13/14/36/514131436.db2.gz RZWQKGISAVZNQC-KSZLIROESA-N 1 3 353.551 2.597 20 0 FFADHO Cc1cc2[nH]c(C[NH2+]CC3(N4CCOCC4)CCN(C)CC3)cc2c(C)c1 ZINC000414488503 514147109 /nfs/dbraw/zinc/14/71/09/514147109.db2.gz UKBXUWCSCFIPND-UHFFFAOYSA-N 1 3 370.541 2.671 20 0 FFADHO CN1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2)(N2CCOCC2)CC1 ZINC000414488965 514147368 /nfs/dbraw/zinc/14/73/68/514147368.db2.gz VFZUZPGWMMKQIC-UHFFFAOYSA-N 1 3 372.340 2.880 20 0 FFADHO CCCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000444188810 514149810 /nfs/dbraw/zinc/14/98/10/514149810.db2.gz LIPRIGCIMCDIPB-ONTIZHBOSA-N 1 3 355.526 2.889 20 0 FFADHO CC1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CCN(Cc2ccccc2)CC1 ZINC000423491620 514150709 /nfs/dbraw/zinc/15/07/09/514150709.db2.gz JYSUDHJXBTYTAM-UHFFFAOYSA-N 1 3 355.526 2.891 20 0 FFADHO Brc1ccccc1C[C@@H]([NH2+]C[C@@H]1CNCCCO1)C1CC1 ZINC000423492475 514150984 /nfs/dbraw/zinc/15/09/84/514150984.db2.gz NFMFWMMIKURMEE-DOTOQJQBSA-N 1 3 353.304 2.738 20 0 FFADHO Brc1ccccc1C[C@@H](NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492475 514150991 /nfs/dbraw/zinc/15/09/91/514150991.db2.gz NFMFWMMIKURMEE-DOTOQJQBSA-N 1 3 353.304 2.738 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000420456740 514154204 /nfs/dbraw/zinc/15/42/04/514154204.db2.gz GWAXABUTAPQNNF-LJQANCHMSA-N 1 3 361.511 2.507 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417090686 514162996 /nfs/dbraw/zinc/16/29/96/514162996.db2.gz XWAKULDQFJTGSA-PCCBWWKXSA-N 1 3 370.541 2.682 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)N(C)C)cc1 ZINC000449330365 514168614 /nfs/dbraw/zinc/16/86/14/514168614.db2.gz TZWZMOCPUZYQOI-IRLDBZIGSA-N 1 3 351.494 2.645 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417123323 514178791 /nfs/dbraw/zinc/17/87/91/514178791.db2.gz YRTMWTUYLUMBLH-LEWJYISDSA-N 1 3 370.541 2.825 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000449397666 514194910 /nfs/dbraw/zinc/19/49/10/514194910.db2.gz RIMIUVKWBDNNGU-KAOXLYBCSA-N 1 3 371.569 2.724 20 0 FFADHO CC1(C)CN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000423704330 514206268 /nfs/dbraw/zinc/20/62/68/514206268.db2.gz DYTMPZMYGBTVFH-GOSISDBHSA-N 1 3 369.431 2.651 20 0 FFADHO CC1(C)CN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000423704330 514206274 /nfs/dbraw/zinc/20/62/74/514206274.db2.gz DYTMPZMYGBTVFH-GOSISDBHSA-N 1 3 369.431 2.651 20 0 FFADHO CN(C)[C@]1(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCSC1 ZINC000437783010 514234796 /nfs/dbraw/zinc/23/47/96/514234796.db2.gz ZYBCVGZYSFVIOR-MJGOQNOKSA-N 1 3 368.591 2.520 20 0 FFADHO CN(C)[C@]1(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCSC1 ZINC000437783010 514234804 /nfs/dbraw/zinc/23/48/04/514234804.db2.gz ZYBCVGZYSFVIOR-MJGOQNOKSA-N 1 3 368.591 2.520 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000417218384 514239101 /nfs/dbraw/zinc/23/91/01/514239101.db2.gz GLPOWLZDERDNJP-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000417223777 514243705 /nfs/dbraw/zinc/24/37/05/514243705.db2.gz SXJCHFPKPLMYJF-PMXSJFBMSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423852604 514263444 /nfs/dbraw/zinc/26/34/44/514263444.db2.gz SDIDIQVQLOFWGI-OXJNMPFZSA-N 1 3 352.482 2.813 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000423853118 514264924 /nfs/dbraw/zinc/26/49/24/514264924.db2.gz SMKFBWNEXQOPFR-UTKZUKDTSA-N 1 3 367.493 2.727 20 0 FFADHO C[C@@H]1C[C@H](CN2CCN(CCOc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414742225 514268595 /nfs/dbraw/zinc/26/85/95/514268595.db2.gz SYMFAYFJSGRUJN-IAGOWNOFSA-N 1 3 351.922 2.725 20 0 FFADHO CC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414751340 514271947 /nfs/dbraw/zinc/27/19/47/514271947.db2.gz IOXOGYHSMMCOGN-INIZCTEOSA-N 1 3 363.933 2.891 20 0 FFADHO C[C@H]1C[C@@H](CN(CCO)Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000414754549 514274711 /nfs/dbraw/zinc/27/47/11/514274711.db2.gz XZMBEQVKYDIGLD-STQMWFEESA-N 1 3 359.283 2.771 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000417291655 514277548 /nfs/dbraw/zinc/27/75/48/514277548.db2.gz BCLYZNGSXHDKOV-HNNXBMFYSA-N 1 3 360.424 2.688 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)N(C)C)cc1 ZINC000417301610 514282526 /nfs/dbraw/zinc/28/25/26/514282526.db2.gz BOVMQYFTFIZNNL-IBGZPJMESA-N 1 3 358.530 2.773 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414789886 514295245 /nfs/dbraw/zinc/29/52/45/514295245.db2.gz PARINZCGOBPVJJ-RTWAWAEBSA-N 1 3 354.498 2.817 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc(Br)c2c(c1)OCCO2 ZINC000414793784 514296484 /nfs/dbraw/zinc/29/64/84/514296484.db2.gz DYIWBIJTMBFUIU-TZMCWYRMSA-N 1 3 355.276 2.827 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414793506 514297210 /nfs/dbraw/zinc/29/72/10/514297210.db2.gz DNBOZTWVGIDARC-MDZRGWNJSA-N 1 3 357.498 2.949 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417333090 514298054 /nfs/dbraw/zinc/29/80/54/514298054.db2.gz ROQPJNIAJVHPGA-YDZRNGNQSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)N2CCCC2)cc1 ZINC000417359768 514310496 /nfs/dbraw/zinc/31/04/96/514310496.db2.gz WHKRPZRHKKETIU-HXUWFJFHSA-N 1 3 356.514 2.741 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000417378548 514322880 /nfs/dbraw/zinc/32/28/80/514322880.db2.gz HNWDGVUEKFOERI-QGZVFWFLSA-N 1 3 364.559 2.601 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000417398645 514332669 /nfs/dbraw/zinc/33/26/69/514332669.db2.gz HQECWMIFHIVDEZ-NRFANRHFSA-N 1 3 366.509 2.825 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000417398645 514332671 /nfs/dbraw/zinc/33/26/71/514332671.db2.gz HQECWMIFHIVDEZ-NRFANRHFSA-N 1 3 366.509 2.825 20 0 FFADHO COc1cc(Br)c(CNCC2(C)CC[NH2+]CC2)cc1OC ZINC000414897700 514346428 /nfs/dbraw/zinc/34/64/28/514346428.db2.gz CFEDJAOUDFDVJZ-UHFFFAOYSA-N 1 3 357.292 2.946 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000427917685 514346685 /nfs/dbraw/zinc/34/66/85/514346685.db2.gz ZITISSSCCWERKS-YHELAOLJSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000427917685 514346689 /nfs/dbraw/zinc/34/66/89/514346689.db2.gz ZITISSSCCWERKS-YHELAOLJSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@]1(C)CCCNC1 ZINC000414902235 514349749 /nfs/dbraw/zinc/34/97/49/514349749.db2.gz GZEPMFVILGSWCC-IIBYNOLFSA-N 1 3 357.498 2.821 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417533999 514395716 /nfs/dbraw/zinc/39/57/16/514395716.db2.gz NKJZBFYEFXSJRQ-FCGDIQPGSA-N 1 3 350.551 2.813 20 0 FFADHO [NH3+]C1CCN(CCCC(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000433168754 514404050 /nfs/dbraw/zinc/40/40/50/514404050.db2.gz OGXWYHYKAHHUDR-UHFFFAOYSA-N 1 3 358.530 2.814 20 0 FFADHO CCN(C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000420979221 514415835 /nfs/dbraw/zinc/41/58/35/514415835.db2.gz KBUQWDKVXZASLN-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CCN(C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000420979221 514415844 /nfs/dbraw/zinc/41/58/44/514415844.db2.gz KBUQWDKVXZASLN-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000420978038 514416236 /nfs/dbraw/zinc/41/62/36/514416236.db2.gz IOELNQXFYSZZSB-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000420978038 514416244 /nfs/dbraw/zinc/41/62/44/514416244.db2.gz IOELNQXFYSZZSB-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000420978038 514416256 /nfs/dbraw/zinc/41/62/56/514416256.db2.gz IOELNQXFYSZZSB-UHFFFAOYSA-N 1 3 367.541 2.864 20 0 FFADHO NC(=O)[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C(F)(F)F ZINC000420980179 514417778 /nfs/dbraw/zinc/41/77/78/514417778.db2.gz FDAOPGGPSJLULB-IAGOWNOFSA-N 1 3 369.431 2.768 20 0 FFADHO C[C@H](CNC(=O)N1CCC([NH2+]CC2CC2)CC1)N(C)Cc1ccccc1 ZINC000417586500 514423285 /nfs/dbraw/zinc/42/32/85/514423285.db2.gz MRQFGUWSPRDQCZ-QGZVFWFLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cc(F)c(Cl)cc1Cl ZINC000415098180 514442338 /nfs/dbraw/zinc/44/23/38/514442338.db2.gz DYZBXPZARLKKLU-WDEREUQCSA-N 1 3 362.276 2.980 20 0 FFADHO CC(C)Oc1cccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424285168 514447317 /nfs/dbraw/zinc/44/73/17/514447317.db2.gz FJLLLSORTPVCAL-QGZVFWFLSA-N 1 3 359.514 2.554 20 0 FFADHO CCN(C)c1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000415126256 514455279 /nfs/dbraw/zinc/45/52/79/514455279.db2.gz GDNJBEJKJBNVHW-UHFFFAOYSA-N 1 3 367.541 2.621 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000439192015 514505878 /nfs/dbraw/zinc/50/58/78/514505878.db2.gz RRIJRYUMMARNCA-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000439192015 514505882 /nfs/dbraw/zinc/50/58/82/514505882.db2.gz RRIJRYUMMARNCA-MOPGFXCFSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000465916213 514518450 /nfs/dbraw/zinc/51/84/50/514518450.db2.gz CCUMULOMXGWUSR-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000465916213 514518459 /nfs/dbraw/zinc/51/84/59/514518459.db2.gz CCUMULOMXGWUSR-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453078836 514539040 /nfs/dbraw/zinc/53/90/40/514539040.db2.gz KPCPZSNJIAOQBE-BDTNDASRSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)c2sccc21 ZINC000453116122 514549497 /nfs/dbraw/zinc/54/94/97/514549497.db2.gz HYFISMRDYAKANQ-SJLPKXTDSA-N 1 3 351.560 2.666 20 0 FFADHO COCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453123193 514551556 /nfs/dbraw/zinc/55/15/56/514551556.db2.gz QTZJVYYPZYPZHK-YPAWHYETSA-N 1 3 359.558 2.988 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnc2ccccc2c1 ZINC000439475231 514560368 /nfs/dbraw/zinc/56/03/68/514560368.db2.gz YSYVPALFSXTGKV-FQEVSTJZSA-N 1 3 368.525 2.652 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnc2ccccc2c1 ZINC000439475231 514560372 /nfs/dbraw/zinc/56/03/72/514560372.db2.gz YSYVPALFSXTGKV-FQEVSTJZSA-N 1 3 368.525 2.652 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000458096433 514566949 /nfs/dbraw/zinc/56/69/49/514566949.db2.gz RFQJKPGUSUWPPZ-WMLDXEAASA-N 1 3 352.548 2.651 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000470667691 514568343 /nfs/dbraw/zinc/56/83/43/514568343.db2.gz CCWQMNGUJBTMPU-FQEVSTJZSA-N 1 3 372.557 2.820 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C(C)C)C3)cc2)CC1 ZINC000470667691 514568349 /nfs/dbraw/zinc/56/83/49/514568349.db2.gz CCWQMNGUJBTMPU-FQEVSTJZSA-N 1 3 372.557 2.820 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466209759 514577284 /nfs/dbraw/zinc/57/72/84/514577284.db2.gz JQFIYGYEYQCTJY-QWFCFKBJSA-N 1 3 358.530 2.823 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NCCN3C[C@H]4CC[C@@H](C3)O4)[C@@H]3CCC[C@H]32)cc1 ZINC000453323723 514602610 /nfs/dbraw/zinc/60/26/10/514602610.db2.gz BICIOWYCLNIPKW-MFKCLSPESA-N 1 3 369.553 2.882 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NCCN3C[C@H]4CC[C@@H](C3)O4)[C@@H]3CCC[C@H]32)cc1 ZINC000453323723 514602621 /nfs/dbraw/zinc/60/26/21/514602621.db2.gz BICIOWYCLNIPKW-MFKCLSPESA-N 1 3 369.553 2.882 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000453374636 514613993 /nfs/dbraw/zinc/61/39/93/514613993.db2.gz ZRLTZPKVLQKNOW-MDKPJZGXSA-N 1 3 372.513 2.931 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000502361748 514626114 /nfs/dbraw/zinc/62/61/14/514626114.db2.gz UEFBXBMGYAHUKQ-UHFFFAOYSA-N 1 3 360.546 2.808 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453419614 514626941 /nfs/dbraw/zinc/62/69/41/514626941.db2.gz DBWKOCUEUQQPQC-NNWRFLSQSA-N 1 3 362.558 2.933 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453419614 514626948 /nfs/dbraw/zinc/62/69/48/514626948.db2.gz DBWKOCUEUQQPQC-NNWRFLSQSA-N 1 3 362.558 2.933 20 0 FFADHO CN1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)C2)C1 ZINC000488954449 514649733 /nfs/dbraw/zinc/64/97/33/514649733.db2.gz ZRBYHEJHJDIACT-PZJWPPBQSA-N 1 3 362.562 2.768 20 0 FFADHO CN1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)C2)C1 ZINC000488954449 514649745 /nfs/dbraw/zinc/64/97/45/514649745.db2.gz ZRBYHEJHJDIACT-PZJWPPBQSA-N 1 3 362.562 2.768 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCCN1Cc1ccccc1 ZINC000488968622 514654777 /nfs/dbraw/zinc/65/47/77/514654777.db2.gz ILIKEJUBZFWFPQ-KCZVDYSFSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCN1Cc1ccccc1 ZINC000488968622 514654786 /nfs/dbraw/zinc/65/47/86/514654786.db2.gz ILIKEJUBZFWFPQ-KCZVDYSFSA-N 1 3 370.541 2.967 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCCCCC[NH+]3CCCC3)cc2)CC1 ZINC000508103937 514668898 /nfs/dbraw/zinc/66/88/98/514668898.db2.gz PYSLGPFTLGJRCU-UHFFFAOYSA-N 1 3 372.557 2.824 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466513174 514670384 /nfs/dbraw/zinc/67/03/84/514670384.db2.gz HHFZMDMFYHAQNO-ICSRJNTNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466513174 514670393 /nfs/dbraw/zinc/67/03/93/514670393.db2.gz HHFZMDMFYHAQNO-ICSRJNTNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000489066755 514691547 /nfs/dbraw/zinc/69/15/47/514691547.db2.gz CWDSKTPCYVBILZ-GCJKJVERSA-N 1 3 370.541 2.949 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000489066755 514691554 /nfs/dbraw/zinc/69/15/54/514691554.db2.gz CWDSKTPCYVBILZ-GCJKJVERSA-N 1 3 370.541 2.949 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000455732033 514707979 /nfs/dbraw/zinc/70/79/79/514707979.db2.gz KWOXENGYNIZQEK-GOSISDBHSA-N 1 3 372.513 2.695 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCC2=O ZINC000455732033 514707989 /nfs/dbraw/zinc/70/79/89/514707989.db2.gz KWOXENGYNIZQEK-GOSISDBHSA-N 1 3 372.513 2.695 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000461725217 514707777 /nfs/dbraw/zinc/70/77/77/514707777.db2.gz KHQCSXKIJPWLMH-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000461725217 514707786 /nfs/dbraw/zinc/70/77/86/514707786.db2.gz KHQCSXKIJPWLMH-NQIIRXRSSA-N 1 3 372.557 2.880 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[NH+]3CCCCCC3)cc2)CC1 ZINC000479817105 514733972 /nfs/dbraw/zinc/73/39/72/514733972.db2.gz VEOQKFQZZBRZBN-LJQANCHMSA-N 1 3 372.557 2.823 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000498113282 514766056 /nfs/dbraw/zinc/76/60/56/514766056.db2.gz ZAHUOLAQOMZPAV-RTWAWAEBSA-N 1 3 370.541 2.908 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CCN(C4CC4)C3)CC2)CC1 ZINC000502812676 514790122 /nfs/dbraw/zinc/79/01/22/514790122.db2.gz TWHQXAYNZGCSDK-QLOJAFMTSA-N 1 3 362.562 2.908 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000484882855 514829138 /nfs/dbraw/zinc/82/91/38/514829138.db2.gz RENAKOBEIXTRPF-KRWDZBQOSA-N 1 3 353.576 2.729 20 0 FFADHO CN(CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1)Cc1ccccc1 ZINC000466974067 514845110 /nfs/dbraw/zinc/84/51/10/514845110.db2.gz IZOVKNKICJGIQL-UHFFFAOYSA-N 1 3 368.525 2.722 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000498288831 514847702 /nfs/dbraw/zinc/84/77/02/514847702.db2.gz QXZPJQNVYICMTA-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000498288831 514847711 /nfs/dbraw/zinc/84/77/11/514847711.db2.gz QXZPJQNVYICMTA-LJQANCHMSA-N 1 3 350.551 2.768 20 0 FFADHO CN(C)CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)C1CCCC1 ZINC000467094207 514896381 /nfs/dbraw/zinc/89/63/81/514896381.db2.gz IJGKOVQSJWVMBV-UHFFFAOYSA-N 1 3 360.546 2.807 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000508867887 514927249 /nfs/dbraw/zinc/92/72/49/514927249.db2.gz UFRKMLOWWQMLMZ-KVPLUYHFSA-N 1 3 358.530 2.946 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000467208252 514940724 /nfs/dbraw/zinc/94/07/24/514940724.db2.gz RHRKPXBQRYJJCS-OXQOHEQNSA-N 1 3 359.514 2.620 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000489777591 514972897 /nfs/dbraw/zinc/97/28/97/514972897.db2.gz LIZKEQAUCKMTMN-MTQWCTHYSA-N 1 3 364.578 2.726 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000489777591 514972905 /nfs/dbraw/zinc/97/29/05/514972905.db2.gz LIZKEQAUCKMTMN-MTQWCTHYSA-N 1 3 364.578 2.726 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC000458688751 515017974 /nfs/dbraw/zinc/01/79/74/515017974.db2.gz OHSKIPFMXKMSDX-KRWDZBQOSA-N 1 3 364.559 2.795 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000476357535 515018075 /nfs/dbraw/zinc/01/80/75/515018075.db2.gz UMIORSSFMTXIMZ-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000476357535 515018085 /nfs/dbraw/zinc/01/80/85/515018085.db2.gz UMIORSSFMTXIMZ-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000458770774 515078089 /nfs/dbraw/zinc/07/80/89/515078089.db2.gz HRNALWCBISCEIN-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000458770774 515078102 /nfs/dbraw/zinc/07/81/02/515078102.db2.gz HRNALWCBISCEIN-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000458773765 515080755 /nfs/dbraw/zinc/08/07/55/515080755.db2.gz PTMUTKZOLFKZAT-JKSUJKDBSA-N 1 3 350.507 2.882 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)CC[NH+]2CCCC2)N(C)C)cc1 ZINC000458886264 515173780 /nfs/dbraw/zinc/17/37/80/515173780.db2.gz HNINCGGFFLTHNL-GOSISDBHSA-N 1 3 364.559 2.748 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472229804 515177324 /nfs/dbraw/zinc/17/73/24/515177324.db2.gz CMUVYQVDGRMLDG-PMACEKPBSA-N 1 3 372.557 2.928 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472229804 515177329 /nfs/dbraw/zinc/17/73/29/515177329.db2.gz CMUVYQVDGRMLDG-PMACEKPBSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1C[C@H](CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCO1 ZINC000490397887 515198215 /nfs/dbraw/zinc/19/82/15/515198215.db2.gz FUIJAQJJPPQKPJ-RTBURBONSA-N 1 3 361.530 2.564 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000476797786 515199758 /nfs/dbraw/zinc/19/97/58/515199758.db2.gz ZXAPYDZLCLLEHX-FXAWDEMLSA-N 1 3 358.530 2.994 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000499101637 515200464 /nfs/dbraw/zinc/20/04/64/515200464.db2.gz OQTIABOZVQBCMZ-KSZLIROESA-N 1 3 350.482 2.600 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000509566579 515235264 /nfs/dbraw/zinc/23/52/64/515235264.db2.gz GGAWGHDPEMYRFM-IXDOHACOSA-N 1 3 350.507 2.882 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000509566579 515235271 /nfs/dbraw/zinc/23/52/71/515235271.db2.gz GGAWGHDPEMYRFM-IXDOHACOSA-N 1 3 350.507 2.882 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)[C@@H]2C1 ZINC000458980140 515245937 /nfs/dbraw/zinc/24/59/37/515245937.db2.gz RLQRREBEEXSYAV-VQTJNVASSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)[C@@H]2C1 ZINC000458980140 515245942 /nfs/dbraw/zinc/24/59/42/515245942.db2.gz RLQRREBEEXSYAV-VQTJNVASSA-N 1 3 370.541 2.777 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000504295207 515264682 /nfs/dbraw/zinc/26/46/82/515264682.db2.gz HYEJYFVUHQIAJY-SLFFLAALSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000504295207 515264693 /nfs/dbraw/zinc/26/46/93/515264693.db2.gz HYEJYFVUHQIAJY-SLFFLAALSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000468336965 515316207 /nfs/dbraw/zinc/31/62/07/515316207.db2.gz HYYVDXNLQMQNNI-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000490890201 515327940 /nfs/dbraw/zinc/32/79/40/515327940.db2.gz RRVLJVXJNNOEAY-FQEVSTJZSA-N 1 3 360.546 2.854 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000490890201 515327948 /nfs/dbraw/zinc/32/79/48/515327948.db2.gz RRVLJVXJNNOEAY-FQEVSTJZSA-N 1 3 360.546 2.854 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000468429309 515355634 /nfs/dbraw/zinc/35/56/34/515355634.db2.gz TYODWRMDZHPAMG-UHFFFAOYSA-N 1 3 360.546 2.808 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CN(C4CC4)C[C@@H]3C)CC2)c1 ZINC000491009608 515356810 /nfs/dbraw/zinc/35/68/10/515356810.db2.gz QVUXXOLSRUSDAK-NZQKXSOJSA-N 1 3 370.585 2.970 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000463147263 515381735 /nfs/dbraw/zinc/38/17/35/515381735.db2.gz PYCQEZBPTPKUTO-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)cc2)CC1 ZINC000468489826 515384640 /nfs/dbraw/zinc/38/46/40/515384640.db2.gz VYRHBPVJUAXICX-HXUWFJFHSA-N 1 3 372.557 2.679 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)cc2)CC1 ZINC000468489826 515384650 /nfs/dbraw/zinc/38/46/50/515384650.db2.gz VYRHBPVJUAXICX-HXUWFJFHSA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000504848735 515391572 /nfs/dbraw/zinc/39/15/72/515391572.db2.gz KPQOGIGNUUCHSI-KRWDZBQOSA-N 1 3 370.607 2.624 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1c(F)cccc1F ZINC000486274912 515412423 /nfs/dbraw/zinc/41/24/23/515412423.db2.gz ZXIZVIKHJUTERV-HZPDHXFCSA-N 1 3 367.484 2.943 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1c(F)cccc1F ZINC000486274912 515412431 /nfs/dbraw/zinc/41/24/31/515412431.db2.gz ZXIZVIKHJUTERV-HZPDHXFCSA-N 1 3 367.484 2.943 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486276190 515414231 /nfs/dbraw/zinc/41/42/31/515414231.db2.gz PHFHNLNAAHFNER-SBHAEUEKSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486276190 515414242 /nfs/dbraw/zinc/41/42/42/515414242.db2.gz PHFHNLNAAHFNER-SBHAEUEKSA-N 1 3 372.557 2.928 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459322040 515469734 /nfs/dbraw/zinc/46/97/34/515469734.db2.gz SYNCJVGGFWASKB-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459322040 515469744 /nfs/dbraw/zinc/46/97/44/515469744.db2.gz SYNCJVGGFWASKB-MRXNPFEDSA-N 1 3 352.548 2.553 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCN2C)C[N@@H+]1Cc1ccccc1 ZINC000510292068 515496025 /nfs/dbraw/zinc/49/60/25/515496025.db2.gz ZGAQKLKJGDQYMH-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCN2C)C[N@H+]1Cc1ccccc1 ZINC000510292068 515496034 /nfs/dbraw/zinc/49/60/34/515496034.db2.gz ZGAQKLKJGDQYMH-RLLQIKCJSA-N 1 3 358.530 2.681 20 0 FFADHO COc1cccc([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000482112635 515579770 /nfs/dbraw/zinc/57/97/70/515579770.db2.gz HRPUXLFKZZJSKT-GOSISDBHSA-N 1 3 354.498 2.953 20 0 FFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000482127212 515581293 /nfs/dbraw/zinc/58/12/93/515581293.db2.gz ZTGPYLOIYMXIPG-SFHVURJKSA-N 1 3 354.498 2.953 20 0 FFADHO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1=CCN(C)CC1 ZINC000510547883 515581508 /nfs/dbraw/zinc/58/15/08/515581508.db2.gz KSDYRXFBLJZARX-IXDOHACOSA-N 1 3 350.551 2.693 20 0 FFADHO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1=CCN(C)CC1 ZINC000510547883 515581518 /nfs/dbraw/zinc/58/15/18/515581518.db2.gz KSDYRXFBLJZARX-IXDOHACOSA-N 1 3 350.551 2.693 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000505691731 515634617 /nfs/dbraw/zinc/63/46/17/515634617.db2.gz KAWQMANFYCOIFF-SLFFLAALSA-N 1 3 358.530 2.996 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000505691731 515634624 /nfs/dbraw/zinc/63/46/24/515634624.db2.gz KAWQMANFYCOIFF-SLFFLAALSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc([O-])c1Br ZINC000459554541 515645647 /nfs/dbraw/zinc/64/56/47/515645647.db2.gz DITFVGDPASUKHP-UHFFFAOYSA-N 1 3 372.351 2.860 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cc(F)ccc1F ZINC000505754088 515657772 /nfs/dbraw/zinc/65/77/72/515657772.db2.gz CTANUHVBECFMMY-SFHVURJKSA-N 1 3 367.484 2.772 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cc(F)ccc1F ZINC000505754088 515657782 /nfs/dbraw/zinc/65/77/82/515657782.db2.gz CTANUHVBECFMMY-SFHVURJKSA-N 1 3 367.484 2.772 20 0 FFADHO CN1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000454714228 515686159 /nfs/dbraw/zinc/68/61/59/515686159.db2.gz CTRFLFWGGGQCCB-UXHICEINSA-N 1 3 358.530 2.997 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)c1ccsc1 ZINC000473890551 515791959 /nfs/dbraw/zinc/79/19/59/515791959.db2.gz HESCBQABYDZJIG-KRWDZBQOSA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)c1ccsc1 ZINC000473890551 515791969 /nfs/dbraw/zinc/79/19/69/515791969.db2.gz HESCBQABYDZJIG-KRWDZBQOSA-N 1 3 352.548 2.867 20 0 FFADHO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000473971789 515826228 /nfs/dbraw/zinc/82/62/28/515826228.db2.gz WJFXWXPHLKZBGY-HDYDNRTBSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482895596 515838340 /nfs/dbraw/zinc/83/83/40/515838340.db2.gz YMBSEZHBGZSLHC-QVKFZJNVSA-N 1 3 361.505 2.981 20 0 FFADHO C[C@@H](NC(=O)Nc1cccc(OCCN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000469514079 515846897 /nfs/dbraw/zinc/84/68/97/515846897.db2.gz REHWQHLRJZGYPS-OAHLLOKOSA-N 1 3 350.507 2.725 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506399928 515872904 /nfs/dbraw/zinc/87/29/04/515872904.db2.gz FKBCXZBPDTURBZ-FXAWDEMLSA-N 1 3 362.562 2.767 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000500832087 515875472 /nfs/dbraw/zinc/87/54/72/515875472.db2.gz LBQJJLHKCPRRBG-ICSRJNTNSA-N 1 3 371.529 2.566 20 0 FFADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000500832087 515875481 /nfs/dbraw/zinc/87/54/81/515875481.db2.gz LBQJJLHKCPRRBG-ICSRJNTNSA-N 1 3 371.529 2.566 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000457480085 515904592 /nfs/dbraw/zinc/90/45/92/515904592.db2.gz NCHYLURCCUXEQH-ICSRJNTNSA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000457480085 515904597 /nfs/dbraw/zinc/90/45/97/515904597.db2.gz NCHYLURCCUXEQH-ICSRJNTNSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCN(C2CC2)C1 ZINC000457522691 515940524 /nfs/dbraw/zinc/94/05/24/515940524.db2.gz WVOLQOAAMXIZEB-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCN(C2CC2)C1 ZINC000457522691 515940533 /nfs/dbraw/zinc/94/05/33/515940533.db2.gz WVOLQOAAMXIZEB-GOSISDBHSA-N 1 3 358.530 2.634 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000457533401 515948093 /nfs/dbraw/zinc/94/80/93/515948093.db2.gz JMZZFMLKDFCCML-GOSISDBHSA-N 1 3 364.559 2.796 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[NH+]2CCCCC2)N(C)C)cc1 ZINC000457536237 515949493 /nfs/dbraw/zinc/94/94/93/515949493.db2.gz DDYGVGYKAUVUBW-SFHVURJKSA-N 1 3 364.559 2.796 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474289894 515973940 /nfs/dbraw/zinc/97/39/40/515973940.db2.gz BZYMSEMUDOSOTO-QFIPXVFZSA-N 1 3 363.505 2.942 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000483200597 515980515 /nfs/dbraw/zinc/98/05/15/515980515.db2.gz PENNWFMOVCXRMB-QGZVFWFLSA-N 1 3 365.562 2.647 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000483200597 515980524 /nfs/dbraw/zinc/98/05/24/515980524.db2.gz PENNWFMOVCXRMB-QGZVFWFLSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000501149452 516000083 /nfs/dbraw/zinc/00/00/83/516000083.db2.gz FCYNDWTXAGQPGU-IBGZPJMESA-N 1 3 354.583 2.972 20 0 FFADHO C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000464927291 516016926 /nfs/dbraw/zinc/01/69/26/516016926.db2.gz RVQXDXXLXRQUQW-NQIIRXRSSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000455182351 516019452 /nfs/dbraw/zinc/01/94/52/516019452.db2.gz DHZFMZLZQMWMNO-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CS[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1N1CCCC1 ZINC000483389210 516059686 /nfs/dbraw/zinc/05/96/86/516059686.db2.gz FHVBUXLASQDGMP-DLBZAZTESA-N 1 3 353.576 2.537 20 0 FFADHO CN1CCCN(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000495082786 516060571 /nfs/dbraw/zinc/06/05/71/516060571.db2.gz XSJQMZYHBHTNED-GHTZIAJQSA-N 1 3 363.521 2.911 20 0 FFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(NC(=O)C(C)C)CC2)CC1 ZINC000507115241 516095344 /nfs/dbraw/zinc/09/53/44/516095344.db2.gz FBPVACSQNGVTOD-UHFFFAOYSA-N 1 3 372.557 2.565 20 0 FFADHO NC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000479192542 516099367 /nfs/dbraw/zinc/09/93/67/516099367.db2.gz UPWPLRZPVRLROH-HXUWFJFHSA-N 1 3 355.457 2.780 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000465401734 516141875 /nfs/dbraw/zinc/14/18/75/516141875.db2.gz IMEXGJYMOYBJJU-HXUWFJFHSA-N 1 3 360.546 2.738 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC000465401734 516141882 /nfs/dbraw/zinc/14/18/82/516141882.db2.gz IMEXGJYMOYBJJU-HXUWFJFHSA-N 1 3 360.546 2.738 20 0 FFADHO CCOc1cc2[nH+]ccc(N[C@H](C)CN3CCN(C)CC3)c2cc1OCC ZINC000488176424 516145726 /nfs/dbraw/zinc/14/57/26/516145726.db2.gz KCXKJSSKPGKUOB-MRXNPFEDSA-N 1 3 372.513 2.502 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465422486 516147486 /nfs/dbraw/zinc/14/74/86/516147486.db2.gz JVDWLTUEQQJHDT-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465422486 516147490 /nfs/dbraw/zinc/14/74/90/516147490.db2.gz JVDWLTUEQQJHDT-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457804745 516158618 /nfs/dbraw/zinc/15/86/18/516158618.db2.gz UNDGGTZSYRDXEH-VQTJNVASSA-N 1 3 358.530 2.775 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000457804745 516158632 /nfs/dbraw/zinc/15/86/32/516158632.db2.gz UNDGGTZSYRDXEH-VQTJNVASSA-N 1 3 358.530 2.775 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483686809 516171291 /nfs/dbraw/zinc/17/12/91/516171291.db2.gz PVXGDMREYMSHSU-FQEVSTJZSA-N 1 3 358.530 2.633 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483686809 516171301 /nfs/dbraw/zinc/17/13/01/516171301.db2.gz PVXGDMREYMSHSU-FQEVSTJZSA-N 1 3 358.530 2.633 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000465531120 516181731 /nfs/dbraw/zinc/18/17/31/516181731.db2.gz WTKNCKYPILYUEG-IOMROCGXSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000465531120 516181743 /nfs/dbraw/zinc/18/17/43/516181743.db2.gz WTKNCKYPILYUEG-IOMROCGXSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1)N1CCc2ccccc2C1 ZINC000465537330 516185956 /nfs/dbraw/zinc/18/59/56/516185956.db2.gz BYTIUXLCWAHQTF-LEWJYISDSA-N 1 3 372.557 2.949 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@H]([NH+](CC)CC)C1)N1CCc2ccccc2C1 ZINC000465537336 516186745 /nfs/dbraw/zinc/18/67/45/516186745.db2.gz BYTIUXLCWAHQTF-SFTDATJTSA-N 1 3 372.557 2.949 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)CNC2 ZINC000470359156 516218116 /nfs/dbraw/zinc/21/81/16/516218116.db2.gz LAIOVDNQILWPSB-OAHLLOKOSA-N 1 3 355.507 2.993 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)CNC2 ZINC000470359156 516218124 /nfs/dbraw/zinc/21/81/24/516218124.db2.gz LAIOVDNQILWPSB-OAHLLOKOSA-N 1 3 355.507 2.993 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CN1CCC(C)CC1 ZINC000474957606 516247926 /nfs/dbraw/zinc/24/79/26/516247926.db2.gz XMSSIMBYLWUMRT-UHFFFAOYSA-N 1 3 351.457 2.841 20 0 FFADHO C[C@@H](CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000501913632 516264716 /nfs/dbraw/zinc/26/47/16/516264716.db2.gz KPMJYRLPAGHHHC-LPHOPBHVSA-N 1 3 364.509 2.992 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)N(C)C)cc1 ZINC000488582487 516267896 /nfs/dbraw/zinc/26/78/96/516267896.db2.gz NQENMDPZCBUETR-ZSXPUABSSA-N 1 3 372.557 2.969 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)N(C)C)cc1 ZINC000488582487 516267903 /nfs/dbraw/zinc/26/79/03/516267903.db2.gz NQENMDPZCBUETR-ZSXPUABSSA-N 1 3 372.557 2.969 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cccc(Cl)c1 ZINC000512417976 516270422 /nfs/dbraw/zinc/27/04/22/516270422.db2.gz ITQBUCZYPAVISR-KRWDZBQOSA-N 1 3 367.921 2.593 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cccc(Cl)c1 ZINC000512417976 516270428 /nfs/dbraw/zinc/27/04/28/516270428.db2.gz ITQBUCZYPAVISR-KRWDZBQOSA-N 1 3 367.921 2.593 20 0 FFADHO CC[N@H+](CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1CC1 ZINC000465843512 516271556 /nfs/dbraw/zinc/27/15/56/516271556.db2.gz UHIBJRQNXMSCMA-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+](CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)C1CC1 ZINC000465843512 516271560 /nfs/dbraw/zinc/27/15/60/516271560.db2.gz UHIBJRQNXMSCMA-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(SC)n1 ZINC000496880694 516286010 /nfs/dbraw/zinc/28/60/10/516286010.db2.gz HAHDNKVIKYXWOH-HNNXBMFYSA-N 1 3 365.547 2.683 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(SC)n1 ZINC000496880694 516286016 /nfs/dbraw/zinc/28/60/16/516286016.db2.gz HAHDNKVIKYXWOH-HNNXBMFYSA-N 1 3 365.547 2.683 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000502156189 516311783 /nfs/dbraw/zinc/31/17/83/516311783.db2.gz JVGZTRXWZIUWMG-IHPCNDPISA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000502156189 516311788 /nfs/dbraw/zinc/31/17/88/516311788.db2.gz JVGZTRXWZIUWMG-IHPCNDPISA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000512637087 516316962 /nfs/dbraw/zinc/31/69/62/516316962.db2.gz RHVNYDCZFQVCPL-XRXFAXGQSA-N 1 3 355.526 2.886 20 0 FFADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC000512650285 516318463 /nfs/dbraw/zinc/31/84/63/516318463.db2.gz YPOBBTKKZRMJOK-FDFHNCONSA-N 1 3 371.569 2.988 20 0 FFADHO O=C(NCC1(N2CCSCC2)CCCC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561043720 516348112 /nfs/dbraw/zinc/34/81/12/516348112.db2.gz RXEMBWGOOVWFGE-UHFFFAOYSA-N 1 3 374.554 2.815 20 0 FFADHO C[C@@H](CO)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000554264520 516350887 /nfs/dbraw/zinc/35/08/87/516350887.db2.gz RODHTYQKLVTULM-SFHVURJKSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000517539256 516356660 /nfs/dbraw/zinc/35/66/60/516356660.db2.gz ISBUQHRDDOSPSS-LJIGWXMPSA-N 1 3 350.532 2.510 20 0 FFADHO CN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1c1ccccc1 ZINC000557663847 516368968 /nfs/dbraw/zinc/36/89/68/516368968.db2.gz OINBQIFNNSNUKR-RTWAWAEBSA-N 1 3 351.494 2.966 20 0 FFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513077309 516462708 /nfs/dbraw/zinc/46/27/08/516462708.db2.gz QLEUADWYGBSLAQ-KSEOMHKRSA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000547801496 516572161 /nfs/dbraw/zinc/57/21/61/516572161.db2.gz PMTXGZNIYQRYSZ-CTNGQTDRSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000547801496 516572168 /nfs/dbraw/zinc/57/21/68/516572168.db2.gz PMTXGZNIYQRYSZ-CTNGQTDRSA-N 1 3 372.557 2.927 20 0 FFADHO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000551165738 516588717 /nfs/dbraw/zinc/58/87/17/516588717.db2.gz XQLWPTNSQDJYAN-PBHCIXSXSA-N 1 3 356.576 2.832 20 0 FFADHO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000554744053 516615382 /nfs/dbraw/zinc/61/53/82/516615382.db2.gz SURWKNACBMCPOE-MRXNPFEDSA-N 1 3 368.953 2.791 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CSc2ccccc21 ZINC000524024623 516630131 /nfs/dbraw/zinc/63/01/31/516630131.db2.gz NGGJINJAQWIOMK-AEFFLSMTSA-N 1 3 361.555 2.750 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CSc2ccccc21 ZINC000524024623 516630135 /nfs/dbraw/zinc/63/01/35/516630135.db2.gz NGGJINJAQWIOMK-AEFFLSMTSA-N 1 3 361.555 2.750 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CSc2ccccc21 ZINC000524024626 516630177 /nfs/dbraw/zinc/63/01/77/516630177.db2.gz NGGJINJAQWIOMK-WMZOPIPTSA-N 1 3 361.555 2.750 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CSc2ccccc21 ZINC000524024626 516630178 /nfs/dbraw/zinc/63/01/78/516630178.db2.gz NGGJINJAQWIOMK-WMZOPIPTSA-N 1 3 361.555 2.750 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1 ZINC000547949864 516651831 /nfs/dbraw/zinc/65/18/31/516651831.db2.gz JNOWJXHTJXTMJL-CRAIPNDOSA-N 1 3 365.468 2.948 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1 ZINC000547949864 516651837 /nfs/dbraw/zinc/65/18/37/516651837.db2.gz JNOWJXHTJXTMJL-CRAIPNDOSA-N 1 3 365.468 2.948 20 0 FFADHO COC[C@H](NCCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1F ZINC000558226754 516656785 /nfs/dbraw/zinc/65/67/85/516656785.db2.gz RPZSLISKKYPGPI-KRWDZBQOSA-N 1 3 357.901 2.784 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000536170628 516662066 /nfs/dbraw/zinc/66/20/66/516662066.db2.gz XDOODBDAOLUUGI-JYBIWHBTSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000536170628 516662078 /nfs/dbraw/zinc/66/20/78/516662078.db2.gz XDOODBDAOLUUGI-JYBIWHBTSA-N 1 3 358.530 2.994 20 0 FFADHO CN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000540808512 516721832 /nfs/dbraw/zinc/72/18/32/516721832.db2.gz HYYKIDYTICRWHL-UHFFFAOYSA-N 1 3 372.557 2.951 20 0 FFADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000518733204 516754538 /nfs/dbraw/zinc/75/45/38/516754538.db2.gz YKGRSLRSJQSGQH-YESZJQIVSA-N 1 3 364.559 2.900 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2cccs2)C(C)(C)CO)CC1 ZINC000558465658 516756549 /nfs/dbraw/zinc/75/65/49/516756549.db2.gz DZCNWMAASSIROT-SFHVURJKSA-N 1 3 353.576 2.813 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000544568332 516817688 /nfs/dbraw/zinc/81/76/88/516817688.db2.gz GGDBRHAVZQAWPP-RLQPZKOJSA-N 1 3 363.590 2.571 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000518967440 516835177 /nfs/dbraw/zinc/83/51/77/516835177.db2.gz OXCHZDSRWWEVTD-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000518967440 516835190 /nfs/dbraw/zinc/83/51/90/516835190.db2.gz OXCHZDSRWWEVTD-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532200060 516855333 /nfs/dbraw/zinc/85/53/33/516855333.db2.gz CAZXDTHMJZODBG-OAHLLOKOSA-N 1 3 361.511 2.971 20 0 FFADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000514094483 516859502 /nfs/dbraw/zinc/85/95/02/516859502.db2.gz NKHFGCQNWUUHCG-AWEZNQCLSA-N 1 3 357.498 2.960 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000514144308 516880029 /nfs/dbraw/zinc/88/00/29/516880029.db2.gz DEZZMKTVEZBMQG-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO c1cc(CN2CCOCC3(CC3)C2)ccc1CN1CCOCC2(CC2)C1 ZINC000541129276 516892036 /nfs/dbraw/zinc/89/20/36/516892036.db2.gz NLGANKUUBWRQFQ-UHFFFAOYSA-N 1 3 356.510 2.911 20 0 FFADHO c1cc(C[N@@H+]2CCOCC3(CC3)C2)ccc1CN1CCOCC2(CC2)C1 ZINC000541129276 516892044 /nfs/dbraw/zinc/89/20/44/516892044.db2.gz NLGANKUUBWRQFQ-UHFFFAOYSA-N 1 3 356.510 2.911 20 0 FFADHO c1cc(C[N@H+]2CCOCC3(CC3)C2)ccc1CN1CCOCC2(CC2)C1 ZINC000541129276 516892057 /nfs/dbraw/zinc/89/20/57/516892057.db2.gz NLGANKUUBWRQFQ-UHFFFAOYSA-N 1 3 356.510 2.911 20 0 FFADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC000514228907 516914530 /nfs/dbraw/zinc/91/45/30/516914530.db2.gz LUMDRZLDLQMSOY-LJQANCHMSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000525103115 516917520 /nfs/dbraw/zinc/91/75/20/516917520.db2.gz NRPVRKOOZPJQAK-DBXWQHBBSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000525103115 516917531 /nfs/dbraw/zinc/91/75/31/516917531.db2.gz NRPVRKOOZPJQAK-DBXWQHBBSA-N 1 3 357.542 2.929 20 0 FFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000514604314 516958360 /nfs/dbraw/zinc/95/83/60/516958360.db2.gz WNSXYPQCALSGFU-RTWAWAEBSA-N 1 3 372.488 2.956 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000555558352 516976996 /nfs/dbraw/zinc/97/69/96/516976996.db2.gz OYWURCOKEZONKF-NQIIRXRSSA-N 1 3 372.557 2.928 20 0 FFADHO CCCC[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558890301 516989951 /nfs/dbraw/zinc/98/99/51/516989951.db2.gz STVBGLQDAVKKIP-QGZVFWFLSA-N 1 3 354.926 2.974 20 0 FFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558890301 516989957 /nfs/dbraw/zinc/98/99/57/516989957.db2.gz STVBGLQDAVKKIP-QGZVFWFLSA-N 1 3 354.926 2.974 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000537031314 517010896 /nfs/dbraw/zinc/01/08/96/517010896.db2.gz KAMQPJFDAIZCSH-UHFFFAOYSA-N 1 3 353.894 2.527 20 0 FFADHO O=C(NCC1CCN(Cc2cccs2)CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529299828 517062144 /nfs/dbraw/zinc/06/21/44/517062144.db2.gz NZPLFQCIICEOMZ-KRWDZBQOSA-N 1 3 362.543 2.544 20 0 FFADHO C[C@]1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CCCN1Cc1ccccc1 ZINC000529319768 517076694 /nfs/dbraw/zinc/07/66/94/517076694.db2.gz IDFKTMPYZBACHE-AZUAARDMSA-N 1 3 356.514 2.625 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000541572337 517118689 /nfs/dbraw/zinc/11/86/89/517118689.db2.gz FOYYGDSPDCVERP-IXDOHACOSA-N 1 3 353.551 2.501 20 0 FFADHO C[NH+](C)C1(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CCC1 ZINC000552186851 517129840 /nfs/dbraw/zinc/12/98/40/517129840.db2.gz ZQKXQWPAWBUGDF-QGZVFWFLSA-N 1 3 365.468 2.744 20 0 FFADHO COc1cccc2cc([C@@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)oc21 ZINC000537293666 517130850 /nfs/dbraw/zinc/13/08/50/517130850.db2.gz ZXXHLVKWIKQLOG-GDBMZVCRSA-N 1 3 359.470 2.679 20 0 FFADHO CN(Cc1cncc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1)[C@@H](CO)C(C)(C)C ZINC000562535478 517174661 /nfs/dbraw/zinc/17/46/61/517174661.db2.gz IHZWXBUTENQFHV-OALUTQOASA-N 1 3 365.562 2.759 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000515342307 517305808 /nfs/dbraw/zinc/30/58/08/517305808.db2.gz VHBHRSSDJLIYFB-MOPGFXCFSA-N 1 3 358.530 2.810 20 0 FFADHO CCN(CC)c1ncc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000562751823 517368335 /nfs/dbraw/zinc/36/83/35/517368335.db2.gz FTXCTFTVDRVCGL-RDJZCZTQSA-N 1 3 352.548 2.708 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000520377828 517368445 /nfs/dbraw/zinc/36/84/45/517368445.db2.gz QVLGCLDBWABEKK-CEXWTWQISA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000520377828 517368455 /nfs/dbraw/zinc/36/84/55/517368455.db2.gz QVLGCLDBWABEKK-CEXWTWQISA-N 1 3 360.546 2.927 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000559741297 517403431 /nfs/dbraw/zinc/40/34/31/517403431.db2.gz TZLFYFULUVPZOW-JOCHJYFZSA-N 1 3 365.521 2.917 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccccc3CN3CCCCC3)C[C@@H]21 ZINC000562795339 517408536 /nfs/dbraw/zinc/40/85/36/517408536.db2.gz DOJMMEZVHWGDRL-PCCBWWKXSA-N 1 3 370.541 2.941 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000559752358 517410338 /nfs/dbraw/zinc/41/03/38/517410338.db2.gz GBFTZJMHMSXBIR-HXUWFJFHSA-N 1 3 370.493 2.737 20 0 FFADHO C[NH+](C)CC[C@@H](N[C@H]1CCCc2cc(S(N)(=O)=O)ccc21)C(C)(C)C ZINC000559767251 517419809 /nfs/dbraw/zinc/41/98/09/517419809.db2.gz QAQMFMNSBIOELJ-ZWKOTPCHSA-N 1 3 367.559 2.667 20 0 FFADHO CN1CCN(CCCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000545907480 517427729 /nfs/dbraw/zinc/42/77/29/517427729.db2.gz ZMEGFQIGYPFLQW-UHFFFAOYSA-N 1 3 361.530 2.759 20 0 FFADHO C[C@H]1CCCc2ccccc2[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545912457 517428466 /nfs/dbraw/zinc/42/84/66/517428466.db2.gz IAGPWHBHRSVWFY-PXNSSMCTSA-N 1 3 360.546 2.835 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)C(F)(F)F ZINC000549191638 517448868 /nfs/dbraw/zinc/44/88/68/517448868.db2.gz UEZOEKOWVPIQIH-AWEZNQCLSA-N 1 3 366.472 2.632 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)C(F)(F)F ZINC000549191638 517448877 /nfs/dbraw/zinc/44/88/77/517448877.db2.gz UEZOEKOWVPIQIH-AWEZNQCLSA-N 1 3 366.472 2.632 20 0 FFADHO NC[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2ccccc2c1 ZINC000515809137 517482126 /nfs/dbraw/zinc/48/21/26/517482126.db2.gz HYJAZHMKBBHXTR-UFYCRDLUSA-N 1 3 352.482 2.766 20 0 FFADHO NC[C@H](NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2ccccc2c1 ZINC000515809137 517482132 /nfs/dbraw/zinc/48/21/32/517482132.db2.gz HYJAZHMKBBHXTR-UFYCRDLUSA-N 1 3 352.482 2.766 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000515810887 517482655 /nfs/dbraw/zinc/48/26/55/517482655.db2.gz FJGOSFZHPAJZLC-YLJYHZDGSA-N 1 3 356.514 2.649 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000515828454 517487519 /nfs/dbraw/zinc/48/75/19/517487519.db2.gz RKWJIEINHBDZNL-OAQYLSRUSA-N 1 3 374.573 2.923 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000553037938 517492628 /nfs/dbraw/zinc/49/26/28/517492628.db2.gz MKWWGDWZGKAUAW-SFHVURJKSA-N 1 3 367.603 2.784 20 0 FFADHO NC(=O)C1CCN(Cc2cccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000516046027 517546833 /nfs/dbraw/zinc/54/68/33/517546833.db2.gz JOAPWCPVJKNMHQ-NJDAHSKKSA-N 1 3 370.541 2.717 20 0 FFADHO C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000521109436 517617173 /nfs/dbraw/zinc/61/71/73/517617173.db2.gz SMVZTXIYBDDULQ-RXVVDRJESA-N 1 3 357.542 2.882 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000533819606 517627619 /nfs/dbraw/zinc/62/76/19/517627619.db2.gz OJMPSIPGDXEKSC-NHCUHLMSSA-N 1 3 372.557 2.533 20 0 FFADHO CCCOc1ccc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239799 517648758 /nfs/dbraw/zinc/64/87/58/517648758.db2.gz VFSWCYZOLRHNPF-NRFANRHFSA-N 1 3 362.514 2.945 20 0 FFADHO c1ccc(-c2ncc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530244581 517651830 /nfs/dbraw/zinc/65/18/30/517651830.db2.gz ZUOXGMMUFQJICU-FQEVSTJZSA-N 1 3 352.482 2.734 20 0 FFADHO Fc1ccc(-n2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000530248993 517653988 /nfs/dbraw/zinc/65/39/88/517653988.db2.gz RYQIITVHQQPVAD-HXUWFJFHSA-N 1 3 358.461 2.602 20 0 FFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000542711990 517698490 /nfs/dbraw/zinc/69/84/90/517698490.db2.gz MWGOSLWRUGQTMF-MBOZVWFJSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000542711987 517698994 /nfs/dbraw/zinc/69/89/94/517698994.db2.gz MWGOSLWRUGQTMF-FUHIMQAGSA-N 1 3 352.567 2.869 20 0 FFADHO CN(CCC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1cc[nH+]cc1 ZINC000542786660 517741338 /nfs/dbraw/zinc/74/13/38/517741338.db2.gz KRLVQPODKIYUOK-HXUWFJFHSA-N 1 3 352.482 2.689 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCN3CCO[C@H](C)C3)C2)s1 ZINC000563216160 517745042 /nfs/dbraw/zinc/74/50/42/517745042.db2.gz JESYGKJSUFYQLV-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCN3CCO[C@H](C)C3)C2)s1 ZINC000563216160 517745051 /nfs/dbraw/zinc/74/50/51/517745051.db2.gz JESYGKJSUFYQLV-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCN3CCO[C@H](C)C3)C2)s1 ZINC000563216160 517745063 /nfs/dbraw/zinc/74/50/63/517745063.db2.gz JESYGKJSUFYQLV-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCN3CCO[C@H](C)C3)C2)s1 ZINC000563216160 517745072 /nfs/dbraw/zinc/74/50/72/517745072.db2.gz JESYGKJSUFYQLV-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCS[C@H](C(C)C)C3)CC2)CC1 ZINC000553498035 517747801 /nfs/dbraw/zinc/74/78/01/517747801.db2.gz KKCBBMYFIOBZHZ-IBGZPJMESA-N 1 3 367.603 2.783 20 0 FFADHO C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000556921568 517748211 /nfs/dbraw/zinc/74/82/11/517748211.db2.gz PNMGJGIGKKSOBC-MRXNPFEDSA-N 1 3 368.543 2.635 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCCNC1 ZINC000516743529 517824845 /nfs/dbraw/zinc/82/48/45/517824845.db2.gz PQRXPECWGDPWOD-DOMZBBRYSA-N 1 3 354.292 2.898 20 0 FFADHO C[NH+]1CCC(CCNCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000550123362 517874057 /nfs/dbraw/zinc/87/40/57/517874057.db2.gz SVMMKGZTIJZHMP-UHFFFAOYSA-N 1 3 351.922 2.998 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000557137795 517874988 /nfs/dbraw/zinc/87/49/88/517874988.db2.gz ODBZESORBDKQDZ-BRWVUGGUSA-N 1 3 364.559 2.777 20 0 FFADHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@H]2CCC[C@H]21 ZINC000560545180 517885674 /nfs/dbraw/zinc/88/56/74/517885674.db2.gz OBFSPCIRJHOUIZ-QHAWAJNXSA-N 1 3 370.541 2.669 20 0 FFADHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(C(N)=O)CC3)c2)[C@H]2CCC[C@H]21 ZINC000560545180 517885681 /nfs/dbraw/zinc/88/56/81/517885681.db2.gz OBFSPCIRJHOUIZ-QHAWAJNXSA-N 1 3 370.541 2.669 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)C1 ZINC000563424760 517897661 /nfs/dbraw/zinc/89/76/61/517897661.db2.gz NAXMJITUQTYMSB-GLQYFDAESA-N 1 3 359.283 2.599 20 0 FFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCOCC1 ZINC000539070808 517901989 /nfs/dbraw/zinc/90/19/89/517901989.db2.gz AXKVRZJUSYADSK-NRFANRHFSA-N 1 3 373.541 2.807 20 0 FFADHO O=C1CC[C@@H](NCc2c(Cl)oc3ccccc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000563452393 517913532 /nfs/dbraw/zinc/91/35/32/517913532.db2.gz HMCLHJDBQFMKNW-QAPCUYQASA-N 1 3 361.873 2.823 20 0 FFADHO CCN1CCC(n2nccc2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000521956339 517917965 /nfs/dbraw/zinc/91/79/65/517917965.db2.gz VOJVXMZTMGGEFG-UHFFFAOYSA-N 1 3 361.534 2.991 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000557223314 517926587 /nfs/dbraw/zinc/92/65/87/517926587.db2.gz BWRHHUMMMDGPJM-OAQYLSRUSA-N 1 3 373.545 2.719 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553862837 517938480 /nfs/dbraw/zinc/93/84/80/517938480.db2.gz KMPBCFLIKVTZDF-ICSRJNTNSA-N 1 3 370.541 2.626 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@H+](C2CCC2)C1 ZINC000553862837 517938489 /nfs/dbraw/zinc/93/84/89/517938489.db2.gz KMPBCFLIKVTZDF-ICSRJNTNSA-N 1 3 370.541 2.626 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000539303391 517985481 /nfs/dbraw/zinc/98/54/81/517985481.db2.gz NSCCXZSKCNWQEU-KRWDZBQOSA-N 1 3 360.502 2.577 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000563588113 518002351 /nfs/dbraw/zinc/00/23/51/518002351.db2.gz LHYJFKCXNBVTSH-YFVAEKQCSA-N 1 3 358.530 2.728 20 0 FFADHO C[C@@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCN(C2CCC2)C1 ZINC000563611301 518023944 /nfs/dbraw/zinc/02/39/44/518023944.db2.gz XLGJDSHHTMTXDL-MBAXHRRTSA-N 1 3 374.573 2.656 20 0 FFADHO C[C@H](CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCCCC1 ZINC000543383112 518059356 /nfs/dbraw/zinc/05/93/56/518059356.db2.gz QOBRMWQULXLOBV-UYAOXDASSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000543474585 518110353 /nfs/dbraw/zinc/11/03/53/518110353.db2.gz IYQJCOHPEKTLTA-NUJGCVRESA-N 1 3 350.551 2.669 20 0 FFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCN3C3CCCCC3)C2)CC1 ZINC000528150840 518122242 /nfs/dbraw/zinc/12/22/42/518122242.db2.gz UEEUEUOKSJCSKZ-UYAOXDASSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522832083 518168508 /nfs/dbraw/zinc/16/85/08/518168508.db2.gz FYIOWRJQWFBNIN-SVFBPWRDSA-N 1 3 372.557 2.778 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522832083 518168511 /nfs/dbraw/zinc/16/85/11/518168511.db2.gz FYIOWRJQWFBNIN-SVFBPWRDSA-N 1 3 372.557 2.778 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccco1 ZINC000563868514 518208975 /nfs/dbraw/zinc/20/89/75/518208975.db2.gz PPEMOBOPHGCZRD-WBVHZDCISA-N 1 3 350.507 2.740 20 0 FFADHO Fc1cccnc1N1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000581304500 518221096 /nfs/dbraw/zinc/22/10/96/518221096.db2.gz HCCPYOZJFQZEBB-RRMPHLOHSA-N 1 3 368.456 2.645 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000572499484 518221611 /nfs/dbraw/zinc/22/16/11/518221611.db2.gz ASFZKYRJRJCYII-QRQLOZEOSA-N 1 3 358.530 2.584 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000569675645 518232666 /nfs/dbraw/zinc/23/26/66/518232666.db2.gz HAKAXBNNDFUNSW-FQEVSTJZSA-N 1 3 366.509 2.966 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000581418546 518276560 /nfs/dbraw/zinc/27/65/60/518276560.db2.gz WHSIQJNYTRWQEV-JKSUJKDBSA-N 1 3 350.532 2.572 20 0 FFADHO O=C1NCCN1[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000569809475 518305717 /nfs/dbraw/zinc/30/57/17/518305717.db2.gz RAQJPLJTYZTTRD-HXUWFJFHSA-N 1 3 356.514 2.662 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1cccs1 ZINC000575980983 518372067 /nfs/dbraw/zinc/37/20/67/518372067.db2.gz PVBABGWJGZORJS-KLZNWCGWSA-N 1 3 350.532 2.700 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000567171096 518388660 /nfs/dbraw/zinc/38/86/60/518388660.db2.gz VPELMMVSMCPDQK-RBBKRZOGSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000567171096 518388661 /nfs/dbraw/zinc/38/86/61/518388661.db2.gz VPELMMVSMCPDQK-RBBKRZOGSA-N 1 3 372.557 2.928 20 0 FFADHO CCC[N@H+](C[C@@H](O)CN(C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564385371 518426014 /nfs/dbraw/zinc/42/60/14/518426014.db2.gz PUEPGPWNFSTQQF-VXKWHMMOSA-N 1 3 359.558 2.818 20 0 FFADHO CCC[N@@H+](C[C@@H](O)CN(C)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000564385371 518426018 /nfs/dbraw/zinc/42/60/18/518426018.db2.gz PUEPGPWNFSTQQF-VXKWHMMOSA-N 1 3 359.558 2.818 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000570201793 518492893 /nfs/dbraw/zinc/49/28/93/518492893.db2.gz IEQXMUCGRHLLCE-GOSISDBHSA-N 1 3 373.463 2.800 20 0 FFADHO CCC[N@H+](CC)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000567376128 518493258 /nfs/dbraw/zinc/49/32/58/518493258.db2.gz YIQVTXFWWAGRCP-GOSISDBHSA-N 1 3 367.484 2.992 20 0 FFADHO CCC[N@@H+](CC)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000567376128 518493264 /nfs/dbraw/zinc/49/32/64/518493264.db2.gz YIQVTXFWWAGRCP-GOSISDBHSA-N 1 3 367.484 2.992 20 0 FFADHO CN(C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000579098832 518521633 /nfs/dbraw/zinc/52/16/33/518521633.db2.gz YRUIPYDQSCRHLU-UXHICEINSA-N 1 3 358.530 2.810 20 0 FFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000567522370 518567611 /nfs/dbraw/zinc/56/76/11/518567611.db2.gz NNCKNPCROAIAFX-LJQANCHMSA-N 1 3 358.530 2.606 20 0 FFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cnc2ccsc2c1 ZINC000576389107 518567622 /nfs/dbraw/zinc/56/76/22/518567622.db2.gz ZKRNVIPLEROSJZ-MOFZMDFASA-N 1 3 358.511 2.594 20 0 FFADHO O=C([C@H]1CNCc2ccccc21)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000582060751 518569493 /nfs/dbraw/zinc/56/94/93/518569493.db2.gz BPILOCDUNZDHGY-NRFANRHFSA-N 1 3 355.526 2.988 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000579209471 518573842 /nfs/dbraw/zinc/57/38/42/518573842.db2.gz JHDQUYXVMZVRQT-UHFFFAOYSA-N 1 3 360.502 2.753 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000579209471 518573847 /nfs/dbraw/zinc/57/38/47/518573847.db2.gz JHDQUYXVMZVRQT-UHFFFAOYSA-N 1 3 360.502 2.753 20 0 FFADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccn1 ZINC000576411920 518581448 /nfs/dbraw/zinc/58/14/48/518581448.db2.gz JZQKZUPHXGVDMV-JXFKEZNVSA-N 1 3 355.482 2.898 20 0 FFADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccn1 ZINC000576411920 518581456 /nfs/dbraw/zinc/58/14/56/518581456.db2.gz JZQKZUPHXGVDMV-JXFKEZNVSA-N 1 3 355.482 2.898 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)COCC(C)C)C2)s1 ZINC000573287732 518592192 /nfs/dbraw/zinc/59/21/92/518592192.db2.gz ZOAAQSIGBNZZTP-MSOLQXFVSA-N 1 3 354.560 2.844 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)COCC(C)C)C2)s1 ZINC000573287732 518592197 /nfs/dbraw/zinc/59/21/97/518592197.db2.gz ZOAAQSIGBNZZTP-MSOLQXFVSA-N 1 3 354.560 2.844 20 0 FFADHO Cc1nn2c(CN(C)CCCN(C)CC[NH+](C)C)c(C(C)C)nc2s1 ZINC000576504677 518625171 /nfs/dbraw/zinc/62/51/71/518625171.db2.gz CTFCEFMPYKHCAB-UHFFFAOYSA-N 1 3 366.579 2.538 20 0 FFADHO O=C(COc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000576576056 518660100 /nfs/dbraw/zinc/66/01/00/518660100.db2.gz DMLCETUYNRCFOB-MJUUVYJYSA-N 1 3 371.525 2.567 20 0 FFADHO CSC1(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCN(C)CC1 ZINC000579419445 518669238 /nfs/dbraw/zinc/66/92/38/518669238.db2.gz KLCMGZDUNOOORJ-INIZCTEOSA-N 1 3 370.607 2.624 20 0 FFADHO CSC1(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCN(C)CC1 ZINC000579419445 518669245 /nfs/dbraw/zinc/66/92/45/518669245.db2.gz KLCMGZDUNOOORJ-INIZCTEOSA-N 1 3 370.607 2.624 20 0 FFADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000586870258 518669619 /nfs/dbraw/zinc/66/96/19/518669619.db2.gz SNVDPUUAMYHKSS-OAQYLSRUSA-N 1 3 372.557 2.930 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)COCc1ccc(Cl)cc1 ZINC000579464069 518694324 /nfs/dbraw/zinc/69/43/24/518694324.db2.gz YEQMNLJNJBINBY-LJQANCHMSA-N 1 3 352.906 2.824 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573549037 518719368 /nfs/dbraw/zinc/71/93/68/518719368.db2.gz VPMBUDITEFZQBU-KAGYGMCKSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000573562166 518728688 /nfs/dbraw/zinc/72/86/88/518728688.db2.gz ONRVRAUHBNIISG-MBOZVWFJSA-N 1 3 358.530 2.622 20 0 FFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccc(F)c(Cl)c1 ZINC000564989582 518732098 /nfs/dbraw/zinc/73/20/98/518732098.db2.gz RSYMUIDLKBJHMA-SUNYJGFJSA-N 1 3 365.880 2.906 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000570694357 518735889 /nfs/dbraw/zinc/73/58/89/518735889.db2.gz GOZXIAQIEAUPPX-ZCNNSNEGSA-N 1 3 369.896 2.646 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000579572299 518746293 /nfs/dbraw/zinc/74/62/93/518746293.db2.gz WMOJXYIGCHAORM-TYCQWZJGSA-N 1 3 370.541 2.899 20 0 FFADHO O=C(CCNCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1cccc(F)c1 ZINC000582482478 518774884 /nfs/dbraw/zinc/77/48/84/518774884.db2.gz DKCNOHUFPVPCMP-FQEVSTJZSA-N 1 3 371.456 2.511 20 0 FFADHO O=C(CCNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1cccc(F)c1 ZINC000582482478 518774889 /nfs/dbraw/zinc/77/48/89/518774889.db2.gz DKCNOHUFPVPCMP-FQEVSTJZSA-N 1 3 371.456 2.511 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CCC[N@@H+](CC(C)C)C3)c2cc1C ZINC000582542288 518804670 /nfs/dbraw/zinc/80/46/70/518804670.db2.gz QNCXGSLIOOZOQC-PMACEKPBSA-N 1 3 372.557 2.972 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CNC[C@@H]3CCC[N@H+](CC(C)C)C3)c2cc1C ZINC000582542288 518804679 /nfs/dbraw/zinc/80/46/79/518804679.db2.gz QNCXGSLIOOZOQC-PMACEKPBSA-N 1 3 372.557 2.972 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@@H]3CCCN(CC(C)C)C3)c2cc1C ZINC000582542288 518804684 /nfs/dbraw/zinc/80/46/84/518804684.db2.gz QNCXGSLIOOZOQC-PMACEKPBSA-N 1 3 372.557 2.972 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000570840710 518806109 /nfs/dbraw/zinc/80/61/09/518806109.db2.gz BKRJBDHOKVULQD-JXFKEZNVSA-N 1 3 352.482 2.630 20 0 FFADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000573774348 518827435 /nfs/dbraw/zinc/82/74/35/518827435.db2.gz DFOWDDWEWKGIFS-NRFANRHFSA-N 1 3 367.541 2.867 20 0 FFADHO CO[C@@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000576937491 518835906 /nfs/dbraw/zinc/83/59/06/518835906.db2.gz JERSSUIGCXJKGS-BTYSMDAFSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CCN(Cc2cncc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000576937491 518835915 /nfs/dbraw/zinc/83/59/15/518835915.db2.gz JERSSUIGCXJKGS-BTYSMDAFSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CC[N@@H+](Cc2cncc(CN3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000576937491 518835921 /nfs/dbraw/zinc/83/59/21/518835921.db2.gz JERSSUIGCXJKGS-BTYSMDAFSA-N 1 3 361.530 2.795 20 0 FFADHO CO[C@@H]1CC[N@H+](Cc2cncc(CN3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000576937491 518835926 /nfs/dbraw/zinc/83/59/26/518835926.db2.gz JERSSUIGCXJKGS-BTYSMDAFSA-N 1 3 361.530 2.795 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000570911184 518838751 /nfs/dbraw/zinc/83/87/51/518838751.db2.gz NZSZNTOMQNJNTH-SJORKVTESA-N 1 3 368.591 2.555 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(C2CCCCC2)n1 ZINC000565290775 518881290 /nfs/dbraw/zinc/88/12/90/518881290.db2.gz HEFWRWPLGYRBEH-UHFFFAOYSA-N 1 3 352.548 2.756 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000573954247 518916508 /nfs/dbraw/zinc/91/65/08/518916508.db2.gz ZRCYDFPOEQTHQI-QZTJIDSGSA-N 1 3 352.544 2.808 20 0 FFADHO CCN(CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000582802858 518930111 /nfs/dbraw/zinc/93/01/11/518930111.db2.gz HOJGJEXANJPZRR-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO CCN(CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000582802858 518930117 /nfs/dbraw/zinc/93/01/17/518930117.db2.gz HOJGJEXANJPZRR-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[NH2+]C1CC1 ZINC000568240566 518945414 /nfs/dbraw/zinc/94/54/14/518945414.db2.gz RNTPOPGCUWDULG-LJQANCHMSA-N 1 3 367.497 2.719 20 0 FFADHO CC(C)CN1CCC([NH2+]C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000571157553 518954315 /nfs/dbraw/zinc/95/43/15/518954315.db2.gz GLJPHCMSIKXHBZ-SFHVURJKSA-N 1 3 354.922 2.928 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000565529892 519003203 /nfs/dbraw/zinc/00/32/03/519003203.db2.gz ZGQDMTBQWCZFRM-PZJWPPBQSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@H](OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000580185364 519049205 /nfs/dbraw/zinc/04/92/05/519049205.db2.gz HJNWLULGPUURTF-SJQSHANBSA-N 1 3 352.906 2.993 20 0 FFADHO C[C@H](OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000580185364 519049212 /nfs/dbraw/zinc/04/92/12/519049212.db2.gz HJNWLULGPUURTF-SJQSHANBSA-N 1 3 352.906 2.993 20 0 FFADHO C[C@H](OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000580185361 519050220 /nfs/dbraw/zinc/05/02/20/519050220.db2.gz HJNWLULGPUURTF-KGLIBXPVSA-N 1 3 352.906 2.993 20 0 FFADHO C[C@H](OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000580185361 519050226 /nfs/dbraw/zinc/05/02/26/519050226.db2.gz HJNWLULGPUURTF-KGLIBXPVSA-N 1 3 352.906 2.993 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000580189722 519051913 /nfs/dbraw/zinc/05/19/13/519051913.db2.gz YHBMDDAQGUFBOV-UHFFFAOYSA-N 1 3 369.484 2.718 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000571372137 519060877 /nfs/dbraw/zinc/06/08/77/519060877.db2.gz XKGCMDBENKYIJQ-DLBZAZTESA-N 1 3 361.534 2.635 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000571372137 519060882 /nfs/dbraw/zinc/06/08/82/519060882.db2.gz XKGCMDBENKYIJQ-DLBZAZTESA-N 1 3 361.534 2.635 20 0 FFADHO CN(CCCN(C)C(=O)Nc1cccc2c1CC[NH2+]C2)Cc1ccco1 ZINC000583072207 519063072 /nfs/dbraw/zinc/06/30/72/519063072.db2.gz HJZXDBHORSUDSC-UHFFFAOYSA-N 1 3 356.470 2.911 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000574261654 519068484 /nfs/dbraw/zinc/06/84/84/519068484.db2.gz MYWCUUWZAMRTIM-OXQOHEQNSA-N 1 3 358.530 2.765 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000574261654 519068490 /nfs/dbraw/zinc/06/84/90/519068490.db2.gz MYWCUUWZAMRTIM-OXQOHEQNSA-N 1 3 358.530 2.765 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589772589 519078923 /nfs/dbraw/zinc/07/89/23/519078923.db2.gz VDIUVCCEHGBTEP-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589772589 519078927 /nfs/dbraw/zinc/07/89/27/519078927.db2.gz VDIUVCCEHGBTEP-HXUWFJFHSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000565765866 519120290 /nfs/dbraw/zinc/12/02/90/519120290.db2.gz QPMUKPJPUOTGAI-JXFKEZNVSA-N 1 3 373.545 2.814 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000568621451 519133997 /nfs/dbraw/zinc/13/39/97/519133997.db2.gz OIMNLSAEDJCXIV-HOCLYGCPSA-N 1 3 371.319 2.510 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccc(O)c3)CC2)CC1 ZINC000568647479 519147837 /nfs/dbraw/zinc/14/78/37/519147837.db2.gz REQQCCBNRBRLHY-UHFFFAOYSA-N 1 3 359.514 2.547 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(OC)c(OC)c2C)C1 ZINC000583289912 519170205 /nfs/dbraw/zinc/17/02/05/519170205.db2.gz YEVHNSVSSYNCOR-GOSISDBHSA-N 1 3 350.503 2.945 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000565943271 519210017 /nfs/dbraw/zinc/21/00/17/519210017.db2.gz ATNMLDXYZWFJBL-OAQYLSRUSA-N 1 3 373.520 2.859 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000565943271 519210023 /nfs/dbraw/zinc/21/00/23/519210023.db2.gz ATNMLDXYZWFJBL-OAQYLSRUSA-N 1 3 373.520 2.859 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(C(C)(C)C)nc3)CC2)CC1 ZINC000566017602 519249703 /nfs/dbraw/zinc/24/97/03/519249703.db2.gz FASIAQGCDKOBJQ-UHFFFAOYSA-N 1 3 373.545 2.909 20 0 FFADHO [NH3+]C1(CNC(=O)NCC2CCN(Cc3cccs3)CC2)CCCCC1 ZINC000571774112 519270605 /nfs/dbraw/zinc/27/06/05/519270605.db2.gz IGOUAVKNEUCJNW-UHFFFAOYSA-N 1 3 364.559 2.921 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000566101073 519299995 /nfs/dbraw/zinc/29/99/95/519299995.db2.gz LCAQREDBHMFNHJ-PCCBWWKXSA-N 1 3 373.541 2.691 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)Cc1cccc(Cl)c1 ZINC000580709483 519315215 /nfs/dbraw/zinc/31/52/15/519315215.db2.gz BSWXPPYUSCLZIF-XUVXKRRUSA-N 1 3 366.933 2.601 20 0 FFADHO CCN1CCN(CCCC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000571910359 519342232 /nfs/dbraw/zinc/34/22/32/519342232.db2.gz SMWMYWNDPGQERK-UHFFFAOYSA-N 1 3 366.937 2.676 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000569085573 519367917 /nfs/dbraw/zinc/36/79/17/519367917.db2.gz NNKCUXWRGKAMAP-PNBKFKSVSA-N 1 3 350.532 2.510 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000569112250 519384179 /nfs/dbraw/zinc/38/41/79/519384179.db2.gz VOFKDUKRFIXJCG-UKRRQHHQSA-N 1 3 358.404 2.685 20 0 FFADHO CC(C)C[C@H](CNC(=O)C[C@@H]1CSCCN1)[NH2+][C@H](C)c1ccccc1 ZINC000572033490 519410265 /nfs/dbraw/zinc/41/02/65/519410265.db2.gz KAVJLSMNSZSTOX-BHIYHBOVSA-N 1 3 363.571 2.963 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC2([NH3+])CCC2)c2cccs2)CC1 ZINC000572103184 519445964 /nfs/dbraw/zinc/44/59/64/519445964.db2.gz JAQXEEXKKVJDDW-OAHLLOKOSA-N 1 3 350.532 2.702 20 0 FFADHO COCCC[NH+]1CCC(NCc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000569262016 519458730 /nfs/dbraw/zinc/45/87/30/519458730.db2.gz VYVGIVCGSCEPDG-UHFFFAOYSA-N 1 3 356.514 2.986 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000578226754 519484350 /nfs/dbraw/zinc/48/43/50/519484350.db2.gz XZPOWNXQKNQJIO-MOPGFXCFSA-N 1 3 358.530 2.586 20 0 FFADHO c1cc(CN2CCC[C@@H](N3CCOCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000566425404 519485750 /nfs/dbraw/zinc/48/57/50/519485750.db2.gz WFVCWBLOTFEANZ-JOCHJYFZSA-N 1 3 357.542 2.969 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCCCC[NH2+]3)CC2)c1 ZINC000569344697 519503171 /nfs/dbraw/zinc/50/31/71/519503171.db2.gz WQFJGOMVWYLWCJ-NRFANRHFSA-N 1 3 372.557 2.546 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000591094352 519508943 /nfs/dbraw/zinc/50/89/43/519508943.db2.gz MKFYMXLGCAHJNN-KRWDZBQOSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000591094352 519508952 /nfs/dbraw/zinc/50/89/52/519508952.db2.gz MKFYMXLGCAHJNN-KRWDZBQOSA-N 1 3 359.514 2.764 20 0 FFADHO COCCOc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000583962213 519518909 /nfs/dbraw/zinc/51/89/09/519518909.db2.gz ISDBPZSHLSKUHK-LJQANCHMSA-N 1 3 362.514 2.884 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc2ccccc2[nH]c1=O ZINC000575163675 519534381 /nfs/dbraw/zinc/53/43/81/519534381.db2.gz HJENKMTYXBTSGN-LJQANCHMSA-N 1 3 356.514 2.788 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc2ccccc2[nH]c1=O ZINC000575163675 519534384 /nfs/dbraw/zinc/53/43/84/519534384.db2.gz HJENKMTYXBTSGN-LJQANCHMSA-N 1 3 356.514 2.788 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000572290483 519540348 /nfs/dbraw/zinc/54/03/48/519540348.db2.gz URHLTMBZKRVPBZ-UHFFFAOYSA-N 1 3 367.493 2.658 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C[C@@]1(C)C[NH3+] ZINC000578333896 519541242 /nfs/dbraw/zinc/54/12/42/519541242.db2.gz CEUIUUPZKDERSX-GPMSIDNRSA-N 1 3 364.559 2.586 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000569458006 519561387 /nfs/dbraw/zinc/56/13/87/519561387.db2.gz ZODXDVIAZAMDGT-LNKGRISISA-N 1 3 358.530 2.621 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000569458006 519561390 /nfs/dbraw/zinc/56/13/90/519561390.db2.gz ZODXDVIAZAMDGT-LNKGRISISA-N 1 3 358.530 2.621 20 0 FFADHO Cc1ccc([C@H](CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)N(C)C)cc1 ZINC000572345339 519565949 /nfs/dbraw/zinc/56/59/49/519565949.db2.gz CZOKBYIHDNVZHZ-XLIONFOSSA-N 1 3 367.497 2.630 20 0 FFADHO CC1(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[NH2+]CC1 ZINC000575235480 519568094 /nfs/dbraw/zinc/56/80/94/519568094.db2.gz LSXNAVZRZAALJD-INIZCTEOSA-N 1 3 364.559 2.649 20 0 FFADHO c1cncc([C@H]2CCN(CCOCC[N@@H+]3CC[C@H](c4cccnc4)C3)C2)c1 ZINC000578440220 519595647 /nfs/dbraw/zinc/59/56/47/519595647.db2.gz NZLAGEFRIGZIHA-VXKWHMMOSA-N 1 3 366.509 2.772 20 0 FFADHO c1cncc([C@H]2CCN(CCOCC[N@H+]3CC[C@H](c4cccnc4)C3)C2)c1 ZINC000578440220 519595651 /nfs/dbraw/zinc/59/56/51/519595651.db2.gz NZLAGEFRIGZIHA-VXKWHMMOSA-N 1 3 366.509 2.772 20 0 FFADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000566667595 519603627 /nfs/dbraw/zinc/60/36/27/519603627.db2.gz ORDGRJMJSRYUQG-FQEVSTJZSA-N 1 3 372.557 2.771 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000566773098 519633360 /nfs/dbraw/zinc/63/33/60/519633360.db2.gz GRPGTRUCACHLPI-UHFFFAOYSA-N 1 3 360.502 2.627 20 0 FFADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000594495643 520004367 /nfs/dbraw/zinc/00/43/67/520004367.db2.gz ROWLKSFDQJRTBX-NQIIRXRSSA-N 1 3 371.525 2.609 20 0 FFADHO CN1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000602992102 520010156 /nfs/dbraw/zinc/01/01/56/520010156.db2.gz QMNJOVXBXQLUHC-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCN1C ZINC000608704385 520091285 /nfs/dbraw/zinc/09/12/85/520091285.db2.gz SYYXYGYFWAKJEQ-MJGOQNOKSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)[NH+]1CCCCCC1 ZINC000594967994 520234317 /nfs/dbraw/zinc/23/43/17/520234317.db2.gz VFNUILVEDUVMOE-MOPGFXCFSA-N 1 3 350.551 2.671 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]1C ZINC000594969583 520234912 /nfs/dbraw/zinc/23/49/12/520234912.db2.gz QSWARWCMMILOQN-LSTHTHJFSA-N 1 3 359.514 2.861 20 0 FFADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000595031760 520261597 /nfs/dbraw/zinc/26/15/97/520261597.db2.gz CRBUWTJCMCKONY-QFBILLFUSA-N 1 3 362.514 2.711 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000592494870 520417861 /nfs/dbraw/zinc/41/78/61/520417861.db2.gz HDYVKOLEPAMLBJ-VQTJNVASSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000592494870 520417863 /nfs/dbraw/zinc/41/78/63/520417863.db2.gz HDYVKOLEPAMLBJ-VQTJNVASSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000604201822 520483853 /nfs/dbraw/zinc/48/38/53/520483853.db2.gz KNFOZRVNZNTYOI-SFTDATJTSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000604201822 520483855 /nfs/dbraw/zinc/48/38/55/520483855.db2.gz KNFOZRVNZNTYOI-SFTDATJTSA-N 1 3 370.541 2.997 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)s1 ZINC000617503416 520538233 /nfs/dbraw/zinc/53/82/33/520538233.db2.gz IDLTZQGJHAINOU-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)s1 ZINC000617503416 520538240 /nfs/dbraw/zinc/53/82/40/520538240.db2.gz IDLTZQGJHAINOU-NSHDSACASA-N 1 3 362.337 2.512 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1cccc2ccccc21 ZINC000617503801 520539176 /nfs/dbraw/zinc/53/91/76/520539176.db2.gz ZWHWMAWMXOWPFO-KRWDZBQOSA-N 1 3 357.498 2.607 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1cccc2ccccc21 ZINC000617503801 520539180 /nfs/dbraw/zinc/53/91/80/520539180.db2.gz ZWHWMAWMXOWPFO-KRWDZBQOSA-N 1 3 357.498 2.607 20 0 FFADHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2ccccc12 ZINC000617504292 520539258 /nfs/dbraw/zinc/53/92/58/520539258.db2.gz ONJKYOXOMBAQGB-INIZCTEOSA-N 1 3 357.498 2.850 20 0 FFADHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2ccccc12 ZINC000617504292 520539265 /nfs/dbraw/zinc/53/92/65/520539265.db2.gz ONJKYOXOMBAQGB-INIZCTEOSA-N 1 3 357.498 2.850 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1OC(F)(F)F ZINC000617506199 520542492 /nfs/dbraw/zinc/54/24/92/520542492.db2.gz FKQAOOZYFGUTPI-ZDUSSCGKSA-N 1 3 361.408 2.587 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1OC(F)(F)F ZINC000617506199 520542496 /nfs/dbraw/zinc/54/24/96/520542496.db2.gz FKQAOOZYFGUTPI-ZDUSSCGKSA-N 1 3 361.408 2.587 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000617507867 520546203 /nfs/dbraw/zinc/54/62/03/520546203.db2.gz MDWPETREDWTDRH-ROUUACIJSA-N 1 3 358.530 2.666 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000617507867 520546207 /nfs/dbraw/zinc/54/62/07/520546207.db2.gz MDWPETREDWTDRH-ROUUACIJSA-N 1 3 358.530 2.666 20 0 FFADHO C[NH+](C)C1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CCCC1 ZINC000600952709 520555561 /nfs/dbraw/zinc/55/55/61/520555561.db2.gz CYPWEZBQPUIRLH-UHFFFAOYSA-N 1 3 372.557 2.579 20 0 FFADHO CC(C)C[C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000604866719 520697124 /nfs/dbraw/zinc/69/71/24/520697124.db2.gz YVCZNMNXPICQBK-NRFANRHFSA-N 1 3 374.573 2.681 20 0 FFADHO O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000614227781 520861157 /nfs/dbraw/zinc/86/11/57/520861157.db2.gz FEILLAPEJIJCBT-SFHVURJKSA-N 1 3 359.489 2.782 20 0 FFADHO CC[C@@H](C(=O)NCc1ccccc1CN1CCN(CC)CC1)[NH+](CC)CC ZINC000605455615 520881831 /nfs/dbraw/zinc/88/18/31/520881831.db2.gz ZGGQWTNPSDKSEI-NRFANRHFSA-N 1 3 374.573 2.561 20 0 FFADHO CN1CCN(CCCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598954132 520940188 /nfs/dbraw/zinc/94/01/88/520940188.db2.gz NKWZRDCBDDEADK-UHFFFAOYSA-N 1 3 367.559 2.821 20 0 FFADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000606623664 521108614 /nfs/dbraw/zinc/10/86/14/521108614.db2.gz YFCQRWSBBAEMOA-DOTOQJQBSA-N 1 3 364.559 2.915 20 0 FFADHO CC[C@@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000606638676 521118057 /nfs/dbraw/zinc/11/80/57/521118057.db2.gz UJCCXQRGYVFXGN-UTKZUKDTSA-N 1 3 372.557 2.853 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCC[C@H]1C ZINC000606638471 521118859 /nfs/dbraw/zinc/11/88/59/521118859.db2.gz KNDDMRBEIAUUHM-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCC[C@H]1C ZINC000606638471 521118861 /nfs/dbraw/zinc/11/88/61/521118861.db2.gz KNDDMRBEIAUUHM-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000606643123 521121109 /nfs/dbraw/zinc/12/11/09/521121109.db2.gz PUAUHKUJWOTJCC-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000599580839 521309708 /nfs/dbraw/zinc/30/97/08/521309708.db2.gz GXAFPTNMAMLOKU-OALUTQOASA-N 1 3 367.578 2.702 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000599580839 521309716 /nfs/dbraw/zinc/30/97/16/521309716.db2.gz GXAFPTNMAMLOKU-OALUTQOASA-N 1 3 367.578 2.702 20 0 FFADHO CN1CCC[C@@]2(CCN(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C2)C1 ZINC000615357189 521382671 /nfs/dbraw/zinc/38/26/71/521382671.db2.gz WUFLMCSPJNSKJY-IFMALSPDSA-N 1 3 355.526 2.810 20 0 FFADHO C[C@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCN(C2CC2)C1 ZINC000615447447 521407006 /nfs/dbraw/zinc/40/70/06/521407006.db2.gz JURRDRMCDHWOKQ-WIYYLYMNSA-N 1 3 355.526 2.809 20 0 FFADHO OCC[C@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H](CCO)C3)c2)C1 ZINC000607733297 521447093 /nfs/dbraw/zinc/44/70/93/521447093.db2.gz PSBDRNZGSVSNDQ-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H](CCO)C3)c2)C1 ZINC000607733297 521447097 /nfs/dbraw/zinc/44/70/97/521447097.db2.gz PSBDRNZGSVSNDQ-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@@H](CCO)C3)c2)C1 ZINC000607733297 521447100 /nfs/dbraw/zinc/44/71/00/521447100.db2.gz PSBDRNZGSVSNDQ-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@@H](CCO)C3)c2)C1 ZINC000607733297 521447102 /nfs/dbraw/zinc/44/71/02/521447102.db2.gz PSBDRNZGSVSNDQ-BGYRXZFFSA-N 1 3 360.542 2.875 20 0 FFADHO COC(=O)c1csc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000602705644 521487726 /nfs/dbraw/zinc/48/77/26/521487726.db2.gz BJJHFZVVKFHDLX-UHFFFAOYSA-N 1 3 359.495 2.932 20 0 FFADHO Nc1ccc(-c2cccc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)n2)cc1 ZINC000634994388 521858820 /nfs/dbraw/zinc/85/88/20/521858820.db2.gz AVVISVFZVKSCQP-CTNGQTDRSA-N 1 3 352.482 2.659 20 0 FFADHO C[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000635004393 521861190 /nfs/dbraw/zinc/86/11/90/521861190.db2.gz DWZRCGPREYZWLL-QAPCUYQASA-N 1 3 361.511 2.669 20 0 FFADHO Cc1c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)nnn1-c1ccccc1 ZINC000635006717 521865742 /nfs/dbraw/zinc/86/57/42/521865742.db2.gz CLMYQLZNBLIDQK-HNNXBMFYSA-N 1 3 363.469 2.553 20 0 FFADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000619904950 521938283 /nfs/dbraw/zinc/93/82/83/521938283.db2.gz RUOWLXJIGKUXMT-MSOLQXFVSA-N 1 3 365.468 2.744 20 0 FFADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000619904950 521938288 /nfs/dbraw/zinc/93/82/88/521938288.db2.gz RUOWLXJIGKUXMT-MSOLQXFVSA-N 1 3 365.468 2.744 20 0 FFADHO Cc1cccc(N2CCN(CCC[NH2+][C@H]3CCN(C)C(C)(C)C3)CC2)c1 ZINC000623348867 521953177 /nfs/dbraw/zinc/95/31/77/521953177.db2.gz NRNMZGPYYXGKJR-FQEVSTJZSA-N 1 3 358.574 2.970 20 0 FFADHO O[C@@H]1CC[C@H]2CCN(Cc3cc(C[N@@H+]4CC[C@@H]5CC[C@@H](O)[C@@H]54)ccc3F)[C@@H]12 ZINC000626140282 521963105 /nfs/dbraw/zinc/96/31/05/521963105.db2.gz VWIPALDMZNBNCK-UHCOOQJHSA-N 1 3 374.500 2.516 20 0 FFADHO O[C@@H]1CC[C@H]2CCN(Cc3cc(C[N@H+]4CC[C@@H]5CC[C@@H](O)[C@@H]54)ccc3F)[C@@H]12 ZINC000626140282 521963120 /nfs/dbraw/zinc/96/31/20/521963120.db2.gz VWIPALDMZNBNCK-UHCOOQJHSA-N 1 3 374.500 2.516 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623360072 521963749 /nfs/dbraw/zinc/96/37/49/521963749.db2.gz SIVZZOFURNFSDM-UHFFFAOYSA-N 1 3 363.509 2.990 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623454825 522034632 /nfs/dbraw/zinc/03/46/32/522034632.db2.gz PUOWFBDUDLHDJP-IBGZPJMESA-N 1 3 372.557 2.991 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623454825 522034641 /nfs/dbraw/zinc/03/46/41/522034641.db2.gz PUOWFBDUDLHDJP-IBGZPJMESA-N 1 3 372.557 2.991 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000620196018 522115677 /nfs/dbraw/zinc/11/56/77/522115677.db2.gz KUNIDYJHSCKIDZ-UYAOXDASSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000620196018 522115683 /nfs/dbraw/zinc/11/56/83/522115683.db2.gz KUNIDYJHSCKIDZ-UYAOXDASSA-N 1 3 355.526 2.747 20 0 FFADHO C/C=C/C[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000623564444 522124241 /nfs/dbraw/zinc/12/42/41/522124241.db2.gz CRVLYLUSZCZCOQ-WHLIDYPQSA-N 1 3 362.562 2.933 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623643693 522187809 /nfs/dbraw/zinc/18/78/09/522187809.db2.gz OSOJTGICGDVXJX-RCLSDMTESA-N 1 3 372.557 2.776 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623643693 522187815 /nfs/dbraw/zinc/18/78/15/522187815.db2.gz OSOJTGICGDVXJX-RCLSDMTESA-N 1 3 372.557 2.776 20 0 FFADHO Cc1ccc2ncc(CN3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc2c1 ZINC000629517021 522295039 /nfs/dbraw/zinc/29/50/39/522295039.db2.gz YDYJXMUBOKASCS-DYESRHJHSA-N 1 3 366.509 2.623 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629529767 522299333 /nfs/dbraw/zinc/29/93/33/522299333.db2.gz MJVBVJPZOPTOIE-MLGOLLRUSA-N 1 3 366.303 2.763 20 0 FFADHO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)CN1CCCC1 ZINC000629576238 522328001 /nfs/dbraw/zinc/32/80/01/522328001.db2.gz SHUARTXDLOAZGO-DZGCQCFKSA-N 1 3 358.313 2.618 20 0 FFADHO COc1cc(C[NH2+]CC2(N)CCOCC2)c(-c2ccccc2)cc1OC ZINC000629655164 522374866 /nfs/dbraw/zinc/37/48/66/522374866.db2.gz TUNFMFBNEBDYQZ-UHFFFAOYSA-N 1 3 356.466 2.968 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)c1C ZINC000626741252 522410527 /nfs/dbraw/zinc/41/05/27/522410527.db2.gz GPZZNWYSZOZSAL-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)c1C ZINC000626741252 522410533 /nfs/dbraw/zinc/41/05/33/522410533.db2.gz GPZZNWYSZOZSAL-KRWDZBQOSA-N 1 3 362.518 2.883 20 0 FFADHO CN1CC[NH+](Cc2ccccc2-c2cccc([C@H]3COCCN3)c2)CC1 ZINC000629735199 522426197 /nfs/dbraw/zinc/42/61/97/522426197.db2.gz MDEYTCUDKXURDY-JOCHJYFZSA-N 1 3 351.494 2.762 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)NCC1CC[NH+](CC2CC2)CC1 ZINC000620932695 522529370 /nfs/dbraw/zinc/52/93/70/522529370.db2.gz GDUSXBQJHDOHAR-UHFFFAOYSA-N 1 3 355.526 2.673 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626979740 522569283 /nfs/dbraw/zinc/56/92/83/522569283.db2.gz JGNHTFIQIUTCLB-YHYVQYDKSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCN1Cc1ccccc1 ZINC000626995817 522578069 /nfs/dbraw/zinc/57/80/69/522578069.db2.gz ZSACDCMDKAZGRR-IYERYRBDSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630038671 522597458 /nfs/dbraw/zinc/59/74/58/522597458.db2.gz FGTCLGGVUDZQDV-UIFIKXQLSA-N 1 3 352.563 2.875 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630038671 522597468 /nfs/dbraw/zinc/59/74/68/522597468.db2.gz FGTCLGGVUDZQDV-UIFIKXQLSA-N 1 3 352.563 2.875 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000627038145 522609410 /nfs/dbraw/zinc/60/94/10/522609410.db2.gz ZFNCMJXRZRYCFR-MOPGFXCFSA-N 1 3 374.529 2.660 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000624385425 522650322 /nfs/dbraw/zinc/65/03/22/522650322.db2.gz CXHIGTKWAQNWFI-UXHICEINSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000624385425 522650329 /nfs/dbraw/zinc/65/03/29/522650329.db2.gz CXHIGTKWAQNWFI-UXHICEINSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C[NH2+]1 ZINC000627200854 522712261 /nfs/dbraw/zinc/71/22/61/522712261.db2.gz UMZWJUBYQWXBPY-SYYKKAFVSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](C)[C@H](CO)C3)c2)C[C@H]1CO ZINC000621370729 522807371 /nfs/dbraw/zinc/80/73/71/522807371.db2.gz PTMMEFHAGQOCDF-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](C)[C@H](CO)C3)c2)C[C@H]1CO ZINC000621370729 522807376 /nfs/dbraw/zinc/80/73/76/522807376.db2.gz PTMMEFHAGQOCDF-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](C)[C@H](CO)C3)c2)C[C@H]1CO ZINC000621370729 522807379 /nfs/dbraw/zinc/80/73/79/522807379.db2.gz PTMMEFHAGQOCDF-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](C)[C@H](CO)C3)c2)C[C@H]1CO ZINC000621370729 522807385 /nfs/dbraw/zinc/80/73/85/522807385.db2.gz PTMMEFHAGQOCDF-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000624614333 522822808 /nfs/dbraw/zinc/82/28/08/522822808.db2.gz PINMEROZLXYYAF-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000624614333 522822814 /nfs/dbraw/zinc/82/28/14/522822814.db2.gz PINMEROZLXYYAF-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000633614135 522874385 /nfs/dbraw/zinc/87/43/85/522874385.db2.gz NEDRHCNXXYWSPW-KRWDZBQOSA-N 1 3 361.530 2.582 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000633614135 522874393 /nfs/dbraw/zinc/87/43/93/522874393.db2.gz NEDRHCNXXYWSPW-KRWDZBQOSA-N 1 3 361.530 2.582 20 0 FFADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC000621753564 523058639 /nfs/dbraw/zinc/05/86/39/523058639.db2.gz QQBXPVIBNOKGIP-FXAWDEMLSA-N 1 3 357.498 2.575 20 0 FFADHO CCCN1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000628132666 523370004 /nfs/dbraw/zinc/37/00/04/523370004.db2.gz LPEYQFBDKFKMPV-PCCBWWKXSA-N 1 3 355.526 2.745 20 0 FFADHO CCCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000628132666 523370009 /nfs/dbraw/zinc/37/00/09/523370009.db2.gz LPEYQFBDKFKMPV-PCCBWWKXSA-N 1 3 355.526 2.745 20 0 FFADHO CCC[C@@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)OCC ZINC000628342491 523496584 /nfs/dbraw/zinc/49/65/84/523496584.db2.gz JKWBSHVSXODWMP-IBGZPJMESA-N 1 3 353.551 2.504 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000637371171 523589585 /nfs/dbraw/zinc/58/95/85/523589585.db2.gz XZAAXWREDLNANS-IBGZPJMESA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000637380910 523598121 /nfs/dbraw/zinc/59/81/21/523598121.db2.gz PZEQIEMJGNFTFH-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000637380910 523598130 /nfs/dbraw/zinc/59/81/30/523598130.db2.gz PZEQIEMJGNFTFH-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000631688319 523751945 /nfs/dbraw/zinc/75/19/45/523751945.db2.gz MAXSODIBEBBZEH-UAGQMJEPSA-N 1 3 367.419 2.882 20 0 FFADHO CCCN1CCC([NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000156762128 728858959 /nfs/dbraw/zinc/85/89/59/728858959.db2.gz KCPRTWKGKGWNQP-INIZCTEOSA-N 1 3 354.878 2.609 20 0 FFADHO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069518 729851526 /nfs/dbraw/zinc/85/15/26/729851526.db2.gz OTJWRWQRPMDPPL-WMZOPIPTSA-N 1 3 362.543 2.669 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000418234276 729856277 /nfs/dbraw/zinc/85/62/77/729856277.db2.gz PTRBMKAUBDOUIG-UXLLHSPISA-N 1 3 350.532 2.580 20 0 FFADHO CC(C)(O)CN1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000638306288 730020580 /nfs/dbraw/zinc/02/05/80/730020580.db2.gz BQPVWXWDUIZXPN-UHFFFAOYSA-N 1 3 368.905 2.826 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000924954967 738465406 /nfs/dbraw/zinc/46/54/06/738465406.db2.gz YQYIFNAUMXSYNV-CABCVRRESA-N 1 3 369.351 2.768 20 0 FFADHO CC(C)CC[NH+]1CCC(CNCCS(=O)(=O)c2ccccc2)CC1 ZINC000644585273 730484607 /nfs/dbraw/zinc/48/46/07/730484607.db2.gz LSNRRQLQOSARNW-UHFFFAOYSA-N 1 3 352.544 2.808 20 0 FFADHO CCCN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCN(C)C1 ZINC000925056246 738474871 /nfs/dbraw/zinc/47/48/71/738474871.db2.gz DWGATFHXPKBIFN-FDYSRKEFSA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000645489803 730562456 /nfs/dbraw/zinc/56/24/56/730562456.db2.gz NTMSJPDMNSFQKS-OALUTQOASA-N 1 3 350.551 2.909 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000645489803 730562458 /nfs/dbraw/zinc/56/24/58/730562458.db2.gz NTMSJPDMNSFQKS-OALUTQOASA-N 1 3 350.551 2.909 20 0 FFADHO COc1cc(CN[C@@H](C)C2CC[NH+](C)CC2)c(Br)cc1O ZINC000647361696 730738676 /nfs/dbraw/zinc/73/86/76/730738676.db2.gz MZVNOEFODYOHRF-NSHDSACASA-N 1 3 357.292 2.983 20 0 FFADHO C[C@H](C[C@H](C)[NH3+])NCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000647552409 730749708 /nfs/dbraw/zinc/74/97/08/730749708.db2.gz ZBIKKTNBDRZJOC-LSDHHAIUSA-N 1 3 360.527 2.862 20 0 FFADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647936324 730775785 /nfs/dbraw/zinc/77/57/85/730775785.db2.gz BKYLLKXLZQEIMG-IUODEOHRSA-N 1 3 354.292 2.837 20 0 FFADHO CCN(CC)[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1ccsc1 ZINC000649292622 730875038 /nfs/dbraw/zinc/87/50/38/730875038.db2.gz TXNKWWHEDACGFL-GOSISDBHSA-N 1 3 357.523 2.744 20 0 FFADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925495960 738510815 /nfs/dbraw/zinc/51/08/15/738510815.db2.gz OYHZLQMRBCIIDE-ZWKOTPCHSA-N 1 3 367.559 2.510 20 0 FFADHO C[C@@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000653594287 731276959 /nfs/dbraw/zinc/27/69/59/731276959.db2.gz JJDAJXQYYIMFIW-OXQOHEQNSA-N 1 3 351.485 2.855 20 0 FFADHO C[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000653594287 731276962 /nfs/dbraw/zinc/27/69/62/731276962.db2.gz JJDAJXQYYIMFIW-OXQOHEQNSA-N 1 3 351.485 2.855 20 0 FFADHO FC(F)(F)COc1cccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655691893 731499265 /nfs/dbraw/zinc/49/92/65/731499265.db2.gz ZVBXVCSDKPJFQK-INIZCTEOSA-N 1 3 358.404 2.971 20 0 FFADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCS2 ZINC000925850669 738536561 /nfs/dbraw/zinc/53/65/61/738536561.db2.gz PAEPJRXXJKDCDU-HOCLYGCPSA-N 1 3 362.495 2.507 20 0 FFADHO C[NH2+]C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000659015843 731936833 /nfs/dbraw/zinc/93/68/33/731936833.db2.gz LBICTOJSLZXCKU-LBPRGKRZSA-N 1 3 354.882 2.542 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000659492664 731981846 /nfs/dbraw/zinc/98/18/46/731981846.db2.gz OUJPFBMEAPIBIY-LTCLLZNKSA-N 1 3 364.921 2.774 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000876736407 732274454 /nfs/dbraw/zinc/27/44/54/732274454.db2.gz KXHBCLDQAVDLIX-KBPBESRZSA-N 1 3 364.559 2.769 20 0 FFADHO CN(C)CCN(C(=O)c1csc(C2CC[NH2+]CC2)n1)c1ccccc1 ZINC000876739400 732274811 /nfs/dbraw/zinc/27/48/11/732274811.db2.gz FMAGKKSKXWTRBK-UHFFFAOYSA-N 1 3 358.511 2.819 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc(Cl)n1 ZINC000877055900 732318888 /nfs/dbraw/zinc/31/88/88/732318888.db2.gz WPEABQNIGCLCPH-HNNXBMFYSA-N 1 3 360.845 2.554 20 0 FFADHO Cc1cc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)s1 ZINC000663640519 732469481 /nfs/dbraw/zinc/46/94/81/732469481.db2.gz IAILKJRDVPHEDE-DZGCQCFKSA-N 1 3 354.564 2.997 20 0 FFADHO Cc1cc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)s1 ZINC000663640519 732469486 /nfs/dbraw/zinc/46/94/86/732469486.db2.gz IAILKJRDVPHEDE-DZGCQCFKSA-N 1 3 354.564 2.997 20 0 FFADHO CCN(C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCN(C)C1 ZINC000664514252 732593336 /nfs/dbraw/zinc/59/33/36/732593336.db2.gz PBSQHPBAVDJFIG-ACBHZAAOSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccco1 ZINC000664875005 732643186 /nfs/dbraw/zinc/64/31/86/732643186.db2.gz UZCQQRAOCSXQOC-ARFHVFGLSA-N 1 3 350.507 2.881 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000664875005 732643189 /nfs/dbraw/zinc/64/31/89/732643189.db2.gz UZCQQRAOCSXQOC-ARFHVFGLSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCC(F)(F)CC1 ZINC000665268066 732686369 /nfs/dbraw/zinc/68/63/69/732686369.db2.gz GSBBMOSRDLZCGV-LSDHHAIUSA-N 1 3 362.509 2.772 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCC(F)(F)CC1 ZINC000665268066 732686372 /nfs/dbraw/zinc/68/63/72/732686372.db2.gz GSBBMOSRDLZCGV-LSDHHAIUSA-N 1 3 362.509 2.772 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000665287237 732687291 /nfs/dbraw/zinc/68/72/91/732687291.db2.gz GDJNCTLYLJLRTD-AWEZNQCLSA-N 1 3 364.559 2.663 20 0 FFADHO Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000665757196 732752056 /nfs/dbraw/zinc/75/20/56/732752056.db2.gz BAPKYDFCABKITE-DZGCQCFKSA-N 1 3 369.579 2.734 20 0 FFADHO Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000665757196 732752062 /nfs/dbraw/zinc/75/20/62/732752062.db2.gz BAPKYDFCABKITE-DZGCQCFKSA-N 1 3 369.579 2.734 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000727080358 734464049 /nfs/dbraw/zinc/46/40/49/734464049.db2.gz OTTIDJLWKGUJBR-WMZOPIPTSA-N 1 3 362.587 2.874 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892495950 734565977 /nfs/dbraw/zinc/56/59/77/734565977.db2.gz VEXDEBGYZKZKIN-HNNXBMFYSA-N 1 3 352.548 2.600 20 0 FFADHO C[NH+](C)Cc1cccc(CNC2CC(S(=O)(=O)c3ccccc3)C2)c1 ZINC000893331181 734687131 /nfs/dbraw/zinc/68/71/31/734687131.db2.gz MZUCWQLTEDJLES-UHFFFAOYSA-N 1 3 358.507 2.843 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCC(C)CC2)CC1)[NH+]1CCCCC1 ZINC000734661244 734908651 /nfs/dbraw/zinc/90/86/51/734908651.db2.gz KFZBQYRMJNNGRW-XBMUEBEBSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496845 736102247 /nfs/dbraw/zinc/10/22/47/736102247.db2.gz GYFHYDDPGCHIDT-RBSFLKMASA-N 1 3 360.527 2.560 20 0 FFADHO COc1ccccc1[C@@H]1CSCCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782189 736166123 /nfs/dbraw/zinc/16/61/23/736166123.db2.gz GSOALRFWGWMVSC-IMFGXOCKSA-N 1 3 362.539 2.944 20 0 FFADHO CC(C)([NH3+])CCNCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000903939826 736191670 /nfs/dbraw/zinc/19/16/70/736191670.db2.gz NTMMLDBLJDILSU-UHFFFAOYSA-N 1 3 360.527 2.864 20 0 FFADHO COc1ccc(OC(F)F)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000904391463 736248374 /nfs/dbraw/zinc/24/83/74/736248374.db2.gz GNXMOLRXIISIFI-HNNXBMFYSA-N 1 3 356.413 2.626 20 0 FFADHO O[C@@H](CN1CCC[C@H]1Cc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000920762151 737925489 /nfs/dbraw/zinc/92/54/89/737925489.db2.gz LATXZCJGHNIUQN-ZWKOTPCHSA-N 1 3 367.331 2.913 20 0 FFADHO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775396793 738090076 /nfs/dbraw/zinc/09/00/76/738090076.db2.gz XCSIGELZYJVTHI-LPHOPBHVSA-N 1 3 350.503 2.729 20 0 FFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(CCc1ccccc1Br)CC2 ZINC000923441013 738284296 /nfs/dbraw/zinc/28/42/96/738284296.db2.gz JMAYSMGMHQEJLC-HNNXBMFYSA-N 1 3 353.304 2.821 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H]3C[C@@H]4COC[C@H]4O3)C2)s1 ZINC000930373239 739096274 /nfs/dbraw/zinc/09/62/74/739096274.db2.gz ICTXXWLKTHNSQY-VXIBKDFQSA-N 1 3 350.528 2.614 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3C[C@@H]4COC[C@H]4O3)C2)s1 ZINC000930373239 739096278 /nfs/dbraw/zinc/09/62/78/739096278.db2.gz ICTXXWLKTHNSQY-VXIBKDFQSA-N 1 3 350.528 2.614 20 0 FFADHO COCCN(Cc1cnc(Br)c(C)c1)CC1CC[NH+](C)CC1 ZINC000931379626 739255871 /nfs/dbraw/zinc/25/58/71/739255871.db2.gz BXNLFUADYMASDE-UHFFFAOYSA-N 1 3 370.335 2.943 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000935740667 740003937 /nfs/dbraw/zinc/00/39/37/740003937.db2.gz SIJQDIBJWKBJMS-UYSNPLJNSA-N 1 3 361.452 2.781 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000935740667 740003941 /nfs/dbraw/zinc/00/39/41/740003941.db2.gz SIJQDIBJWKBJMS-UYSNPLJNSA-N 1 3 361.452 2.781 20 0 FFADHO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000798940225 740375299 /nfs/dbraw/zinc/37/52/99/740375299.db2.gz DZILJHNHCASVIM-LPHOPBHVSA-N 1 3 350.503 2.729 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccncc3Cl)C2)CC[N@@H+]1C ZINC000998792857 742045681 /nfs/dbraw/zinc/04/56/81/742045681.db2.gz CNFPFLDLERBONP-UNGSAITNSA-N 1 3 364.921 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccncc3Cl)C2)CC[N@H+]1C ZINC000998792857 742045687 /nfs/dbraw/zinc/04/56/87/742045687.db2.gz CNFPFLDLERBONP-UNGSAITNSA-N 1 3 364.921 2.544 20 0 FFADHO Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000819175501 742348513 /nfs/dbraw/zinc/34/85/13/742348513.db2.gz YYYNJHAMSMQDQB-SLFFLAALSA-N 1 3 350.478 2.525 20 0 FFADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)c2cccc(Br)c2)CCCO1 ZINC000819266172 742363870 /nfs/dbraw/zinc/36/38/70/742363870.db2.gz WSMWVRVIYACZHR-WMLDXEAASA-N 1 3 371.319 2.573 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)c2cccc(Br)c2)CCCO1 ZINC000819266172 742363876 /nfs/dbraw/zinc/36/38/76/742363876.db2.gz WSMWVRVIYACZHR-WMLDXEAASA-N 1 3 371.319 2.573 20 0 FFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001020173160 742536824 /nfs/dbraw/zinc/53/68/24/742536824.db2.gz URXJFLBMRLQSJC-PTNZTPPNSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cc(F)ccc1F ZINC001020173160 742536827 /nfs/dbraw/zinc/53/68/27/742536827.db2.gz URXJFLBMRLQSJC-PTNZTPPNSA-N 1 3 351.441 2.603 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cc3Cl)C2)CC[N@@H+]1C ZINC001022105200 742643759 /nfs/dbraw/zinc/64/37/59/742643759.db2.gz UFELDZGOJBIALK-BQDHKBFISA-N 1 3 353.869 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cc3Cl)C2)CC[N@H+]1C ZINC001022105200 742643765 /nfs/dbraw/zinc/64/37/65/742643765.db2.gz UFELDZGOJBIALK-BQDHKBFISA-N 1 3 353.869 2.556 20 0 FFADHO [NH3+]Cc1cccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000827924659 745002538 /nfs/dbraw/zinc/00/25/38/745002538.db2.gz IEBPVSVFZKMAAP-UHFFFAOYSA-N 1 3 355.507 2.989 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC000844187371 747985111 /nfs/dbraw/zinc/98/51/11/747985111.db2.gz GRBCDJMTNWKIQX-JKSUJKDBSA-N 1 3 352.910 2.766 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC000844187371 747985116 /nfs/dbraw/zinc/98/51/16/747985116.db2.gz GRBCDJMTNWKIQX-JKSUJKDBSA-N 1 3 352.910 2.766 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@]3(C)C[C@@]3(F)Cl)CC2)CC1 ZINC000844934769 748140660 /nfs/dbraw/zinc/14/06/60/748140660.db2.gz FKRPGEPCLQIHPZ-MSOLQXFVSA-N 1 3 374.932 2.549 20 0 FFADHO O[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1c(Cl)cccc1Cl ZINC000848533335 748952297 /nfs/dbraw/zinc/95/22/97/748952297.db2.gz JUGOMAMUNVUDFJ-BBRMVZONSA-N 1 3 359.297 2.870 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1Br ZINC000849066752 749044178 /nfs/dbraw/zinc/04/41/78/749044178.db2.gz PTNCFFQVULUWKB-AWEZNQCLSA-N 1 3 353.308 2.590 20 0 FFADHO ClC1(Cl)C[C@H]1CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763211 749948445 /nfs/dbraw/zinc/94/84/45/749948445.db2.gz LFADXVWHXVDRRK-UONOGXRCSA-N 1 3 372.344 2.583 20 0 FFADHO CN1CCC(NC(=S)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000063150203 845457147 /nfs/dbraw/zinc/45/71/47/845457147.db2.gz OOKCAIWXBOCLQW-UHFFFAOYSA-N 1 3 352.592 2.543 20 0 FFADHO CN1CCC(NC(=S)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000063150203 845457154 /nfs/dbraw/zinc/45/71/54/845457154.db2.gz OOKCAIWXBOCLQW-UHFFFAOYSA-N 1 3 352.592 2.543 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC(C)C)C1 ZINC001104802856 970859411 /nfs/dbraw/zinc/85/94/11/970859411.db2.gz KOMBCQLDXLFWKU-WOJBJXKFSA-N 1 3 369.594 2.998 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)c2cccn2C2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398039172 970920517 /nfs/dbraw/zinc/92/05/17/970920517.db2.gz KHJHDSLXMZWFLP-IEBWSBKVSA-N 1 3 366.509 2.805 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001104937551 971183914 /nfs/dbraw/zinc/18/39/14/971183914.db2.gz DYTKIRGNYNFCIK-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CO[C@H](CN1CCN(c2ccccc2OCC[NH+](C)C)CC1)C1CCC1 ZINC000660077011 971224773 /nfs/dbraw/zinc/22/47/73/971224773.db2.gz PXUNDBVIRRESAL-OAQYLSRUSA-N 1 3 361.530 2.564 20 0 FFADHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824578485 946824673 /nfs/dbraw/zinc/82/46/73/946824673.db2.gz UFXBXGVMADVTDQ-OAHLLOKOSA-N 1 3 363.469 2.829 20 0 FFADHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824578485 946824684 /nfs/dbraw/zinc/82/46/84/946824684.db2.gz UFXBXGVMADVTDQ-OAHLLOKOSA-N 1 3 363.469 2.829 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC(C)C)C1 ZINC001105067093 971445040 /nfs/dbraw/zinc/44/50/40/971445040.db2.gz MANZZIPEYYAJQP-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)CC[C@@H]2C1)N(C)C ZINC001088010874 971844239 /nfs/dbraw/zinc/84/42/39/971844239.db2.gz OOWVRAOQPYFLAN-HLAWJBBLSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ccc3C)CC[C@@H]2C1)N(C)C ZINC001088010874 971844241 /nfs/dbraw/zinc/84/42/41/971844241.db2.gz OOWVRAOQPYFLAN-HLAWJBBLSA-N 1 3 357.542 2.924 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCCC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000652118712 972178757 /nfs/dbraw/zinc/17/87/57/972178757.db2.gz RTFPHUOUWNVTNE-FQEVSTJZSA-N 1 3 374.529 2.521 20 0 FFADHO CC(C)c1cc([C@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n[nH]1 ZINC000872146392 1013153282 /nfs/dbraw/zinc/15/32/82/1013153282.db2.gz MUSXUNFJIIRIOH-WFXMLNOXSA-N 1 3 356.514 2.643 20 0 FFADHO CC(C)c1cc([C@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)[nH]n1 ZINC000872146392 1013153296 /nfs/dbraw/zinc/15/32/96/1013153296.db2.gz MUSXUNFJIIRIOH-WFXMLNOXSA-N 1 3 356.514 2.643 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NCCCN2CCc3ccccc3C2)c(F)c1 ZINC000652128158 972253110 /nfs/dbraw/zinc/25/31/10/972253110.db2.gz QMZXPXZEAMPKHB-UHFFFAOYSA-N 1 3 370.472 2.532 20 0 FFADHO C[C@@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)N(C)Cc1ccccc1 ZINC000660635621 972410078 /nfs/dbraw/zinc/41/00/78/972410078.db2.gz JIHMZXNAHRQGSE-SFHVURJKSA-N 1 3 372.557 2.928 20 0 FFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1 ZINC000969691591 959769675 /nfs/dbraw/zinc/76/96/75/959769675.db2.gz UVVZIDHRQKMJEX-TYCQWZJGSA-N 1 3 357.542 2.916 20 0 FFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)c1 ZINC000969691591 959769687 /nfs/dbraw/zinc/76/96/87/959769687.db2.gz UVVZIDHRQKMJEX-TYCQWZJGSA-N 1 3 357.542 2.916 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1cccc3ccccc31)C2 ZINC000660656383 972458055 /nfs/dbraw/zinc/45/80/55/972458055.db2.gz REUHDJCJROKUQG-SIKLNZKXSA-N 1 3 354.494 2.997 20 0 FFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1cccc3ccccc31)C2 ZINC000660656383 972458060 /nfs/dbraw/zinc/45/80/60/972458060.db2.gz REUHDJCJROKUQG-SIKLNZKXSA-N 1 3 354.494 2.997 20 0 FFADHO Oc1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397498970 960715097 /nfs/dbraw/zinc/71/50/97/960715097.db2.gz UFLBPYNJPQPCGR-FQEVSTJZSA-N 1 3 352.478 2.996 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655731650 961194482 /nfs/dbraw/zinc/19/44/82/961194482.db2.gz ZJDQPJRTYZABEG-IBGZPJMESA-N 1 3 369.557 2.852 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1cccc(OC)c1 ZINC000653106772 961761486 /nfs/dbraw/zinc/76/14/86/961761486.db2.gz MWRIZFBJHPQCDV-SLFFLAALSA-N 1 3 359.514 2.725 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2ccc(F)cc2F)CC[N@@H+]1C ZINC001276011805 1013284608 /nfs/dbraw/zinc/28/46/08/1013284608.db2.gz NQEHQEPQKULBHV-FUHWJXTLSA-N 1 3 353.457 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2ccc(F)cc2F)CC[N@H+]1C ZINC001276011805 1013284614 /nfs/dbraw/zinc/28/46/14/1013284614.db2.gz NQEHQEPQKULBHV-FUHWJXTLSA-N 1 3 353.457 2.633 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)sn1 ZINC001104287991 961832911 /nfs/dbraw/zinc/83/29/11/961832911.db2.gz OVKUDMQIFSKREQ-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294340 962376956 /nfs/dbraw/zinc/37/69/56/962376956.db2.gz KKKKQOBKRZMGSK-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CCc1ccc2nccc(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)c2c1 ZINC000649309177 1013338345 /nfs/dbraw/zinc/33/83/45/1013338345.db2.gz RFSQECHTVNIVDH-FQEVSTJZSA-N 1 3 352.482 2.716 20 0 FFADHO CCc1ccc2nccc(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)c2c1 ZINC000649309177 1013338353 /nfs/dbraw/zinc/33/83/53/1013338353.db2.gz RFSQECHTVNIVDH-FQEVSTJZSA-N 1 3 352.482 2.716 20 0 FFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000649315721 1013345675 /nfs/dbraw/zinc/34/56/75/1013345675.db2.gz DWJGMSCJHVOGNM-ICSRJNTNSA-N 1 3 359.514 2.737 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001087135148 963079810 /nfs/dbraw/zinc/07/98/10/963079810.db2.gz SMUNJMDQKKLBDR-CCKFTAQKSA-N 1 3 365.468 2.776 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001087134948 963083552 /nfs/dbraw/zinc/08/35/52/963083552.db2.gz LQGPPPNKIGSMAS-HYVNUMGLSA-N 1 3 364.921 2.546 20 0 FFADHO [NH2+]=C(NCCCCN1CCN(Cc2ccccc2)CC1)NC1CCCC1 ZINC000066243588 963540703 /nfs/dbraw/zinc/54/07/03/963540703.db2.gz JSBKSSUIRMJOOK-UHFFFAOYSA-N 1 3 357.546 2.641 20 0 FFADHO CC1(C)Cc2cc(C[NH2+]Cc3cccc(-n4cc(CN)nn4)c3)ccc2O1 ZINC000873218775 1013432782 /nfs/dbraw/zinc/43/27/82/1013432782.db2.gz QOSAUYZESHLSGI-UHFFFAOYSA-N 1 3 363.465 2.729 20 0 FFADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243030 1013443130 /nfs/dbraw/zinc/44/31/30/1013443130.db2.gz IPJLFGUKDDTFOZ-YWZLYKJASA-N 1 3 351.454 2.592 20 0 FFADHO CC1=C(c2ccco2)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665762530 963786675 /nfs/dbraw/zinc/78/66/75/963786675.db2.gz HSBCLDQYLHMDDN-KRWDZBQOSA-N 1 3 362.518 2.740 20 0 FFADHO CC1=C(c2ccco2)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665762530 963786677 /nfs/dbraw/zinc/78/66/77/963786677.db2.gz HSBCLDQYLHMDDN-KRWDZBQOSA-N 1 3 362.518 2.740 20 0 FFADHO CC[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1ccc(OC)cc1 ZINC000873248058 1013447613 /nfs/dbraw/zinc/44/76/13/1013447613.db2.gz YVLGBZCQSCFIMM-HXUWFJFHSA-N 1 3 351.454 2.976 20 0 FFADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000090038786 963901422 /nfs/dbraw/zinc/90/14/22/963901422.db2.gz XXZICCWZYMZYCU-HXUWFJFHSA-N 1 3 355.457 2.894 20 0 FFADHO CC[C@H](C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2)OC ZINC001112506865 964686297 /nfs/dbraw/zinc/68/62/97/964686297.db2.gz JDGXPZSHYCIIPD-UEXGIBASSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000664805354 965333026 /nfs/dbraw/zinc/33/30/26/965333026.db2.gz UUDSTSSEZCVKDV-IEZWGBDMSA-N 1 3 364.509 2.643 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000664805354 965333035 /nfs/dbraw/zinc/33/30/35/965333035.db2.gz UUDSTSSEZCVKDV-IEZWGBDMSA-N 1 3 364.509 2.643 20 0 FFADHO O=C(N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(F)(F)F ZINC001167972697 965444843 /nfs/dbraw/zinc/44/48/43/965444843.db2.gz AAIJUBUTJYKSKS-WZYMTQMTSA-N 1 3 359.436 2.535 20 0 FFADHO O=C(N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(F)(F)F ZINC001167972697 965444846 /nfs/dbraw/zinc/44/48/46/965444846.db2.gz AAIJUBUTJYKSKS-WZYMTQMTSA-N 1 3 359.436 2.535 20 0 FFADHO C[C@@H]1CN(CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)C[C@@H](C)O1 ZINC001175973070 1013598490 /nfs/dbraw/zinc/59/84/90/1013598490.db2.gz INDBLIXTBGOIPA-KRXUUXHPSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@@H]1CN(CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)C[C@@H](C)O1 ZINC001175973070 1013598493 /nfs/dbraw/zinc/59/84/93/1013598493.db2.gz INDBLIXTBGOIPA-KRXUUXHPSA-N 1 3 357.542 2.550 20 0 FFADHO C[C@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1c(F)cccc1F ZINC000983704680 965798155 /nfs/dbraw/zinc/79/81/55/965798155.db2.gz LYEBTHSBBMLKET-XFIYOXNOSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1c(F)cccc1F ZINC000983704680 965798168 /nfs/dbraw/zinc/79/81/68/965798168.db2.gz LYEBTHSBBMLKET-XFIYOXNOSA-N 1 3 365.468 2.850 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000892019869 965820437 /nfs/dbraw/zinc/82/04/37/965820437.db2.gz OYMCUUWZNPVTDY-LJQANCHMSA-N 1 3 356.514 2.531 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000892119207 966009975 /nfs/dbraw/zinc/00/99/75/966009975.db2.gz OSNNJEOWKPHUKA-IBGZPJMESA-N 1 3 356.514 2.533 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)CCN1Cc1ccccc1 ZINC000894884972 966079958 /nfs/dbraw/zinc/07/99/58/966079958.db2.gz NCZBLLDQVYMKPK-UTKZUKDTSA-N 1 3 370.541 2.966 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnn(C)c1C1CC1 ZINC000892151762 966088530 /nfs/dbraw/zinc/08/85/30/966088530.db2.gz TZVJXSMDSCJMES-UHFFFAOYSA-N 1 3 373.589 2.926 20 0 FFADHO CC(C)OCC[NH+]1CCC(NCc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657382085 966354659 /nfs/dbraw/zinc/35/46/59/966354659.db2.gz AJMGXBQZMQZIBK-NRFANRHFSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001267103913 966370224 /nfs/dbraw/zinc/37/02/24/966370224.db2.gz IMDWALPMXGYYBH-ZNGSKVMBSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C/C=C\c3ccccc3)C2)CC[N@H+]1C ZINC001267103913 966370232 /nfs/dbraw/zinc/37/02/32/966370232.db2.gz IMDWALPMXGYYBH-ZNGSKVMBSA-N 1 3 355.526 2.963 20 0 FFADHO Cc1cncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001087212698 966578277 /nfs/dbraw/zinc/57/82/77/966578277.db2.gz MSUGLNZYHZYWHT-POAQFYNOSA-N 1 3 358.530 2.591 20 0 FFADHO c1cc(CN2CCC(C[NH2+]Cc3ccc4c(c3)OCCO4)CC2)ccn1 ZINC000657612275 966958982 /nfs/dbraw/zinc/95/89/82/966958982.db2.gz LKLSFXJLZGWHSB-UHFFFAOYSA-N 1 3 353.466 2.855 20 0 FFADHO CC(C)N1CCN(c2ccc(N(C(N)=[NH2+])c3ccc(F)cc3)cn2)CC1 ZINC001167992959 967140621 /nfs/dbraw/zinc/14/06/21/967140621.db2.gz UCFKTMFYDCRPFK-UHFFFAOYSA-N 1 3 356.449 2.783 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnn(Cc4ccccc4)c3)C2)C1 ZINC000650706393 967546093 /nfs/dbraw/zinc/54/60/93/967546093.db2.gz JRKNBWZMDAGDRI-NJYVYQBISA-N 1 3 354.498 2.650 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080700668 968345764 /nfs/dbraw/zinc/34/57/64/968345764.db2.gz RLANTFDLJVBCNU-RTWAWAEBSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080700668 968345772 /nfs/dbraw/zinc/34/57/72/968345772.db2.gz RLANTFDLJVBCNU-RTWAWAEBSA-N 1 3 370.541 2.777 20 0 FFADHO COc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1O ZINC000658135370 968540476 /nfs/dbraw/zinc/54/04/76/968540476.db2.gz DJTDAEIJRJMTRD-HNAYVOBHSA-N 1 3 356.466 2.818 20 0 FFADHO COc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1O ZINC000658135370 968540482 /nfs/dbraw/zinc/54/04/82/968540482.db2.gz DJTDAEIJRJMTRD-HNAYVOBHSA-N 1 3 356.466 2.818 20 0 FFADHO COc1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)nc1 ZINC000892510693 969240533 /nfs/dbraw/zinc/24/05/33/969240533.db2.gz RHAKFQVALUCHGE-CALCHBBNSA-N 1 3 355.482 2.989 20 0 FFADHO CCN1CCN(Cc2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)CC1 ZINC000066243416 969301055 /nfs/dbraw/zinc/30/10/55/969301055.db2.gz NQHUKNTXHKHFAF-UHFFFAOYSA-N 1 3 351.498 2.751 20 0 FFADHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000066243420 969301457 /nfs/dbraw/zinc/30/14/57/969301457.db2.gz DCWWEVMLLQFIEW-UHFFFAOYSA-N 1 3 351.498 2.961 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@H]3CCC(F)(F)C3)CC2)CC1 ZINC000892522277 969353213 /nfs/dbraw/zinc/35/32/13/969353213.db2.gz VZUZUULZIHYLIP-OAHLLOKOSA-N 1 3 372.504 2.670 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892605445 969573076 /nfs/dbraw/zinc/57/30/76/969573076.db2.gz PSTDEWKZAVBEJW-NUZGMZIFSA-N 1 3 370.541 2.743 20 0 FFADHO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659045785 969661220 /nfs/dbraw/zinc/66/12/20/969661220.db2.gz YBELTWMYOOAMEO-IBGZPJMESA-N 1 3 360.502 2.735 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)C[C@@H]3NCc4ccccc43)CCCC2)CC1 ZINC000659285830 969798314 /nfs/dbraw/zinc/79/83/14/969798314.db2.gz XNJHCLUKIDYVLK-FQEVSTJZSA-N 1 3 371.525 2.761 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000659293810 969808766 /nfs/dbraw/zinc/80/87/66/969808766.db2.gz XVAGMTROCCOJQL-FQEVSTJZSA-N 1 3 369.509 2.579 20 0 FFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659349360 969844246 /nfs/dbraw/zinc/84/42/46/969844246.db2.gz FFPORFITZWDYAQ-VDGAXYAQSA-N 1 3 371.431 2.761 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659426830 969917461 /nfs/dbraw/zinc/91/74/61/969917461.db2.gz FEVKRHFZRILLPU-SFTDATJTSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659476437 969964110 /nfs/dbraw/zinc/96/41/10/969964110.db2.gz BDVQBOJMANFENK-WIYYLYMNSA-N 1 3 372.557 2.928 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001116033340 1032077666 /nfs/dbraw/zinc/07/76/66/1032077666.db2.gz SCWZLFOELNPSTR-VAMGGRTRSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1nn(C(C)C)c(C)c1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000895339402 970400974 /nfs/dbraw/zinc/40/09/74/970400974.db2.gz NQAHXNIIMTYSSK-HXUWFJFHSA-N 1 3 356.514 2.937 20 0 FFADHO Cc1nn(C(C)C)c(C)c1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000895339402 970400986 /nfs/dbraw/zinc/40/09/86/970400986.db2.gz NQAHXNIIMTYSSK-HXUWFJFHSA-N 1 3 356.514 2.937 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H](C)c4ccc(F)cc4)C[C@H]32)CC[N@@H+]1C ZINC001025794963 970425223 /nfs/dbraw/zinc/42/52/23/970425223.db2.gz GZVODKMWKQPEQV-BHPSNQOYSA-N 1 3 359.489 2.663 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@H](C)c4ccc(F)cc4)C[C@H]32)CC[N@H+]1C ZINC001025794963 970425227 /nfs/dbraw/zinc/42/52/27/970425227.db2.gz GZVODKMWKQPEQV-BHPSNQOYSA-N 1 3 359.489 2.663 20 0 FFADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000312737034 970518723 /nfs/dbraw/zinc/51/87/23/970518723.db2.gz XENKKJSFYKGBMF-MJGOQNOKSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000312737034 970518725 /nfs/dbraw/zinc/51/87/25/970518725.db2.gz XENKKJSFYKGBMF-MJGOQNOKSA-N 1 3 362.481 2.835 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc(Cl)n1 ZINC000825776781 1014006329 /nfs/dbraw/zinc/00/63/29/1014006329.db2.gz VTJATBAHEJGZQY-QZTJIDSGSA-N 1 3 374.916 2.722 20 0 FFADHO CCOCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753525 970660733 /nfs/dbraw/zinc/66/07/33/970660733.db2.gz FHHSSCHHXIRWIP-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000665555668 972759723 /nfs/dbraw/zinc/75/97/23/972759723.db2.gz JQLLYIWBMKSREI-RTBURBONSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000665555668 972759735 /nfs/dbraw/zinc/75/97/35/972759735.db2.gz JQLLYIWBMKSREI-RTBURBONSA-N 1 3 358.530 2.775 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088104862 972813357 /nfs/dbraw/zinc/81/33/57/972813357.db2.gz FBQXPHKNHMBANA-UXHICEINSA-N 1 3 359.558 2.999 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088104862 972813370 /nfs/dbraw/zinc/81/33/70/972813370.db2.gz FBQXPHKNHMBANA-UXHICEINSA-N 1 3 359.558 2.999 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cc1C ZINC001088106624 972824798 /nfs/dbraw/zinc/82/47/98/972824798.db2.gz JZFKHFOCWSBCNY-YHYVQYDKSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)cc1C ZINC001088106624 972824806 /nfs/dbraw/zinc/82/48/06/972824806.db2.gz JZFKHFOCWSBCNY-YHYVQYDKSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c(C)c1 ZINC001088106808 972825881 /nfs/dbraw/zinc/82/58/81/972825881.db2.gz RYFMSAPFHMPWSS-QIJUGHKUSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c(C)c1 ZINC001088106808 972825888 /nfs/dbraw/zinc/82/58/88/972825888.db2.gz RYFMSAPFHMPWSS-QIJUGHKUSA-N 1 3 369.553 2.926 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106878 972828255 /nfs/dbraw/zinc/82/82/55/972828255.db2.gz VKAKFGFBYBNZBX-FUHIMQAGSA-N 1 3 353.526 2.635 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106878 972828262 /nfs/dbraw/zinc/82/82/62/972828262.db2.gz VKAKFGFBYBNZBX-FUHIMQAGSA-N 1 3 353.526 2.635 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3F)CC[C@@H]2C1)N(C)C ZINC001088109769 972840871 /nfs/dbraw/zinc/84/08/71/972840871.db2.gz XZRMXSRJGVZTLW-KPFFTGBYSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ccc3F)CC[C@@H]2C1)N(C)C ZINC001088109769 972840880 /nfs/dbraw/zinc/84/08/80/972840880.db2.gz XZRMXSRJGVZTLW-KPFFTGBYSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121529 972918568 /nfs/dbraw/zinc/91/85/68/972918568.db2.gz LODVMEPGEGYVCY-HBFSDRIKSA-N 1 3 352.482 2.884 20 0 FFADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121529 972918575 /nfs/dbraw/zinc/91/85/75/972918575.db2.gz LODVMEPGEGYVCY-HBFSDRIKSA-N 1 3 352.482 2.884 20 0 FFADHO CCCc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1 ZINC001088120872 972928459 /nfs/dbraw/zinc/92/84/59/972928459.db2.gz CKWGCQZASWEAIK-UXHICEINSA-N 1 3 366.509 2.885 20 0 FFADHO CCCc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)cc1 ZINC001088120872 972928467 /nfs/dbraw/zinc/92/84/67/972928467.db2.gz CKWGCQZASWEAIK-UXHICEINSA-N 1 3 366.509 2.885 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088141789 973071644 /nfs/dbraw/zinc/07/16/44/973071644.db2.gz CFBFEUROSUQKIB-HSALFYBXSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000669583527 973770451 /nfs/dbraw/zinc/77/04/51/973770451.db2.gz SDWIKFTXLNHOIW-ORYQWCPZSA-N 1 3 366.509 2.864 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066530 973897532 /nfs/dbraw/zinc/89/75/32/973897532.db2.gz PZAGRNOGXUQOLQ-HNJRGHQBSA-N 1 3 360.498 2.692 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168066530 973897541 /nfs/dbraw/zinc/89/75/41/973897541.db2.gz PZAGRNOGXUQOLQ-HNJRGHQBSA-N 1 3 360.498 2.692 20 0 FFADHO COc1cccc([C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N2CCCC2)c1 ZINC000237282924 974021509 /nfs/dbraw/zinc/02/15/09/974021509.db2.gz UWGVISYXIRGWNY-LAUBAEHRSA-N 1 3 373.541 2.974 20 0 FFADHO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000909597749 974162222 /nfs/dbraw/zinc/16/22/22/974162222.db2.gz AZFFZTLUXFATLG-LSDHHAIUSA-N 1 3 374.403 2.979 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000652149871 974630670 /nfs/dbraw/zinc/63/06/70/974630670.db2.gz DKFRNHSNZHNCOB-KRWDZBQOSA-N 1 3 354.498 2.726 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1F)c1ccco1 ZINC000652190888 974689572 /nfs/dbraw/zinc/68/95/72/974689572.db2.gz BKLIVRPKZXZIBK-SUMWQHHRSA-N 1 3 362.449 2.806 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000652313576 974820862 /nfs/dbraw/zinc/82/08/62/974820862.db2.gz AXCPGRDJGIMPCV-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000662151047 975259683 /nfs/dbraw/zinc/25/96/83/975259683.db2.gz DTJLIUFIYDJBPB-NRFANRHFSA-N 1 3 370.541 2.682 20 0 FFADHO [NH3+]CC1(CCNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000653219016 1014271078 /nfs/dbraw/zinc/27/10/78/1014271078.db2.gz VHIJANYSZDEXDN-SFHVURJKSA-N 1 3 369.431 2.686 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662488500 975630774 /nfs/dbraw/zinc/63/07/74/975630774.db2.gz PNVJPMPONRVOSP-LJQANCHMSA-N 1 3 373.541 2.684 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000663452168 975936178 /nfs/dbraw/zinc/93/61/78/975936178.db2.gz JJZMPXKCBGXJTQ-SFTDATJTSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000663452168 975936187 /nfs/dbraw/zinc/93/61/87/975936187.db2.gz JJZMPXKCBGXJTQ-SFTDATJTSA-N 1 3 370.541 2.682 20 0 FFADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1Cc1nc2c(s1)CNCC2 ZINC000663493507 976048412 /nfs/dbraw/zinc/04/84/12/976048412.db2.gz INZPUDRLWMTFJS-HKUYNNGSSA-N 1 3 370.566 2.961 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CCc1cccs1 ZINC001088768728 976062803 /nfs/dbraw/zinc/06/28/03/976062803.db2.gz AUXNRVACVAQQEZ-MNEFBYGVSA-N 1 3 361.555 2.744 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CCc1cccs1 ZINC001088768728 976062816 /nfs/dbraw/zinc/06/28/16/976062816.db2.gz AUXNRVACVAQQEZ-MNEFBYGVSA-N 1 3 361.555 2.744 20 0 FFADHO Cc1ccc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1F ZINC000663510609 976089648 /nfs/dbraw/zinc/08/96/48/976089648.db2.gz GSBOFEDSNQMFQR-QGZVFWFLSA-N 1 3 357.477 2.646 20 0 FFADHO Fc1ccc(/C=C\CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC000663512530 976093220 /nfs/dbraw/zinc/09/32/20/976093220.db2.gz OCKAXEMGPNNRBU-PBMKKYJASA-N 1 3 369.488 2.851 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000898579467 976549336 /nfs/dbraw/zinc/54/93/36/976549336.db2.gz RSVCFUIMDQVMSF-LPHOPBHVSA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000898579467 976549347 /nfs/dbraw/zinc/54/93/47/976549347.db2.gz RSVCFUIMDQVMSF-LPHOPBHVSA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000898579469 976551005 /nfs/dbraw/zinc/55/10/05/976551005.db2.gz RSVCFUIMDQVMSF-QFBILLFUSA-N 1 3 361.530 2.971 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000898579469 976551016 /nfs/dbraw/zinc/55/10/16/976551016.db2.gz RSVCFUIMDQVMSF-QFBILLFUSA-N 1 3 361.530 2.971 20 0 FFADHO c1cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667687119 976740076 /nfs/dbraw/zinc/74/00/76/976740076.db2.gz AYVIWRCAWCZIKK-FQEVSTJZSA-N 1 3 356.470 2.817 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1cnc2c(c1)CNCC2)[NH+](C)C ZINC000667802448 977059310 /nfs/dbraw/zinc/05/93/10/977059310.db2.gz RAMRNQAVHFGMJQ-MGPUTAFESA-N 1 3 367.497 2.849 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001211729889 977518572 /nfs/dbraw/zinc/51/85/72/977518572.db2.gz LXACJJCGLDCONV-RRIIRSAJSA-N 1 3 357.542 2.957 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876902164 1014416138 /nfs/dbraw/zinc/41/61/38/1014416138.db2.gz AMHJJPXDCXNJHD-VQXSACIRSA-N 1 3 357.498 2.504 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNCc2oc(C(C)C)nc2C)CC[N@@H+]1C ZINC001482103618 978082099 /nfs/dbraw/zinc/08/20/99/978082099.db2.gz XASVILDTUXIYKY-BHYGNILZSA-N 1 3 364.534 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNCc2oc(C(C)C)nc2C)CC[N@H+]1C ZINC001482103618 978082106 /nfs/dbraw/zinc/08/21/06/978082106.db2.gz XASVILDTUXIYKY-BHYGNILZSA-N 1 3 364.534 2.679 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H](C4CC4)[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001076086242 979093981 /nfs/dbraw/zinc/09/39/81/979093981.db2.gz UXRLDZULMDZGEV-BHDDXSALSA-N 1 3 367.537 2.902 20 0 FFADHO COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@H]4C)[C@@H]3C2)c1C ZINC001076241523 979260916 /nfs/dbraw/zinc/26/09/16/979260916.db2.gz RJXSYKGZXRFORT-LSTHTHJFSA-N 1 3 371.525 2.521 20 0 FFADHO COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@H]4C)[C@@H]3C2)c1C ZINC001076241523 979260919 /nfs/dbraw/zinc/26/09/19/979260919.db2.gz RJXSYKGZXRFORT-LSTHTHJFSA-N 1 3 371.525 2.521 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)cs1 ZINC001076605726 979709635 /nfs/dbraw/zinc/70/96/35/979709635.db2.gz PQWRVMDPGWFWDX-RBUKOAKNSA-N 1 3 361.555 2.965 20 0 FFADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212309 980225664 /nfs/dbraw/zinc/22/56/64/980225664.db2.gz YOVFVOOQTKECPH-ARFHVFGLSA-N 1 3 365.484 2.988 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC[C@]12CC[NH2+]C2 ZINC000904320587 980241961 /nfs/dbraw/zinc/24/19/61/980241961.db2.gz LYMGYRGQTFYEIX-HXUWFJFHSA-N 1 3 374.554 2.638 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)[C@H]3CC[NH3+])c2)CC1 ZINC000904421781 980275725 /nfs/dbraw/zinc/27/57/25/980275725.db2.gz RMERXNWJBRYELG-YLJYHZDGSA-N 1 3 373.545 2.810 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](O)(C3CC3)C2)CC1 ZINC000668556505 980673847 /nfs/dbraw/zinc/67/38/47/980673847.db2.gz VJDZBIXBRTUCAO-JOCHJYFZSA-N 1 3 357.542 2.956 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@](O)(C3CC3)C2)CC1 ZINC000668556505 980673851 /nfs/dbraw/zinc/67/38/51/980673851.db2.gz VJDZBIXBRTUCAO-JOCHJYFZSA-N 1 3 357.542 2.956 20 0 FFADHO C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001168189204 980856146 /nfs/dbraw/zinc/85/61/46/980856146.db2.gz QSFLEMFWNGXKEG-OAHLLOKOSA-N 1 3 363.933 2.933 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000666442247 980869778 /nfs/dbraw/zinc/86/97/78/980869778.db2.gz NDKFWNULLGNUDD-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000666442247 980869779 /nfs/dbraw/zinc/86/97/79/980869779.db2.gz NDKFWNULLGNUDD-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000907103834 981196452 /nfs/dbraw/zinc/19/64/52/981196452.db2.gz ZHQXJSZXLANZMQ-MJGOQNOKSA-N 1 3 358.530 2.845 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000907103834 981196453 /nfs/dbraw/zinc/19/64/53/981196453.db2.gz ZHQXJSZXLANZMQ-MJGOQNOKSA-N 1 3 358.530 2.845 20 0 FFADHO Cc1ccnn1-c1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666671956 981204959 /nfs/dbraw/zinc/20/49/59/981204959.db2.gz OGOSYVVLYJDEIN-INIZCTEOSA-N 1 3 372.517 2.574 20 0 FFADHO Cc1ccnn1-c1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666671956 981204963 /nfs/dbraw/zinc/20/49/63/981204963.db2.gz OGOSYVVLYJDEIN-INIZCTEOSA-N 1 3 372.517 2.574 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000666686435 981216471 /nfs/dbraw/zinc/21/64/71/981216471.db2.gz PORUAIJQAYECRE-JKSUJKDBSA-N 1 3 372.538 2.673 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000666686435 981216474 /nfs/dbraw/zinc/21/64/74/981216474.db2.gz PORUAIJQAYECRE-JKSUJKDBSA-N 1 3 372.538 2.673 20 0 FFADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2ncccc12 ZINC000666736658 981298124 /nfs/dbraw/zinc/29/81/24/981298124.db2.gz QSHIWAFZZMAWHE-HNNXBMFYSA-N 1 3 373.501 2.637 20 0 FFADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2ncccc12 ZINC000666736658 981298129 /nfs/dbraw/zinc/29/81/29/981298129.db2.gz QSHIWAFZZMAWHE-HNNXBMFYSA-N 1 3 373.501 2.637 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001213214039 981445569 /nfs/dbraw/zinc/44/55/69/981445569.db2.gz XTAXDRXKVBUYNK-QRVBRYPASA-N 1 3 365.562 2.503 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001213214039 981445573 /nfs/dbraw/zinc/44/55/73/981445573.db2.gz XTAXDRXKVBUYNK-QRVBRYPASA-N 1 3 365.562 2.503 20 0 FFADHO C[NH2+]Cc1ccccc1CN[C@@H](CCn1cncn1)c1ccc(OC)cc1 ZINC000650756579 1014766867 /nfs/dbraw/zinc/76/68/67/1014766867.db2.gz FFRUKTSSSDTWJO-NRFANRHFSA-N 1 3 365.481 2.927 20 0 FFADHO c1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc2nonc12 ZINC000897994745 982569800 /nfs/dbraw/zinc/56/98/00/982569800.db2.gz SEOOAVFUSWOWDI-UHFFFAOYSA-N 1 3 352.438 2.987 20 0 FFADHO C[C@@H]1CN(Cc2cn3ccc(Br)cc3n2)CCC[C@@H]1C[NH3+] ZINC001206014021 1032107277 /nfs/dbraw/zinc/10/72/77/1032107277.db2.gz VDXMKTQOYNIOBZ-CHWSQXEVSA-N 1 3 351.292 2.904 20 0 FFADHO CN(Cc1ccco1)[C@@H]1CN(C2CC[NH+](CC3CC3)CC2)[C@@H]2CCCO[C@H]12 ZINC001168381540 984379878 /nfs/dbraw/zinc/37/98/78/984379878.db2.gz XSEYBZDZXAQAFE-VSKRKVRLSA-N 1 3 373.541 2.818 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCc3cc(F)ccc32)(N2CCCCC2)CC1 ZINC000669252159 984385121 /nfs/dbraw/zinc/38/51/21/984385121.db2.gz JLBTVLKPFLMFMA-HXUWFJFHSA-N 1 3 373.516 2.922 20 0 FFADHO CN(CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Cc1ccccc1 ZINC000669406110 984535946 /nfs/dbraw/zinc/53/59/46/984535946.db2.gz LEVIWMOYXNKAGU-VQTJNVASSA-N 1 3 358.530 2.540 20 0 FFADHO COCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436665 984538285 /nfs/dbraw/zinc/53/82/85/984538285.db2.gz JQDSDKDXEKGKAZ-UYAOXDASSA-N 1 3 365.562 2.648 20 0 FFADHO COCCCCC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436665 984538289 /nfs/dbraw/zinc/53/82/89/984538289.db2.gz JQDSDKDXEKGKAZ-UYAOXDASSA-N 1 3 365.562 2.648 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2)C1CC1 ZINC001107438456 984538796 /nfs/dbraw/zinc/53/87/96/984538796.db2.gz AYRXJMDCWYMPGN-RZUBCFFCSA-N 1 3 355.526 2.888 20 0 FFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2)C1CC1 ZINC001107438456 984538803 /nfs/dbraw/zinc/53/88/03/984538803.db2.gz AYRXJMDCWYMPGN-RZUBCFFCSA-N 1 3 355.526 2.888 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107442318 984543725 /nfs/dbraw/zinc/54/37/25/984543725.db2.gz BBPJJWCXGNRACR-SMPWZREDSA-N 1 3 353.938 2.974 20 0 FFADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107442318 984543728 /nfs/dbraw/zinc/54/37/28/984543728.db2.gz BBPJJWCXGNRACR-SMPWZREDSA-N 1 3 353.938 2.974 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncccc1C)CC2)N(C)C ZINC001107451576 984555184 /nfs/dbraw/zinc/55/51/84/984555184.db2.gz XKZIIFITJLVXNH-SFHLNBCPSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncccc1C)CC2)N(C)C ZINC001107451576 984555188 /nfs/dbraw/zinc/55/51/88/984555188.db2.gz XKZIIFITJLVXNH-SFHLNBCPSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC[C@@H]1[NH3+] ZINC000669427562 984572737 /nfs/dbraw/zinc/57/27/37/984572737.db2.gz YGNDINDRMKXDOD-YZGWKJHDSA-N 1 3 358.530 2.901 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669483573 984654542 /nfs/dbraw/zinc/65/45/42/984654542.db2.gz BSDAYSXCXRYXOW-VAMGGRTRSA-N 1 3 356.514 2.607 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCOC)CC2)N(C)C ZINC001107554488 984685808 /nfs/dbraw/zinc/68/58/08/984685808.db2.gz BIUHDSCXHGCIQM-NLWGTHIKSA-N 1 3 353.551 2.504 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCOC)CC2)N(C)C ZINC001107554488 984685810 /nfs/dbraw/zinc/68/58/10/984685810.db2.gz BIUHDSCXHGCIQM-NLWGTHIKSA-N 1 3 353.551 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](OC)C1CCC1)CC2 ZINC001107582071 984732026 /nfs/dbraw/zinc/73/20/26/984732026.db2.gz VJAGZZGIQOCKEQ-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](OC)C1CCC1)CC2 ZINC001107582071 984732029 /nfs/dbraw/zinc/73/20/29/984732029.db2.gz VJAGZZGIQOCKEQ-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1)C1CC1 ZINC001112114334 984749404 /nfs/dbraw/zinc/74/94/04/984749404.db2.gz MLDHIYSYPXDFSD-KFWWJZLASA-N 1 3 363.468 2.742 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669586941 984871886 /nfs/dbraw/zinc/87/18/86/984871886.db2.gz ALGZVVUVIKSDTK-VQTJNVASSA-N 1 3 360.546 2.929 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCc1cccs1)CC2 ZINC001107646358 984938033 /nfs/dbraw/zinc/93/80/33/984938033.db2.gz HQEUNMXIVYQEAL-UYAOXDASSA-N 1 3 363.571 2.992 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCc1cccs1)CC2 ZINC001107646358 984938034 /nfs/dbraw/zinc/93/80/34/984938034.db2.gz HQEUNMXIVYQEAL-UYAOXDASSA-N 1 3 363.571 2.992 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)[NH+]1CCCCC1 ZINC001107646806 984938372 /nfs/dbraw/zinc/93/83/72/984938372.db2.gz WZFIEJZGPCKVEE-WSTZPKSXSA-N 1 3 353.526 2.827 20 0 FFADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765660784 985277810 /nfs/dbraw/zinc/27/78/10/985277810.db2.gz DGPKJKOZSTVZKZ-NRFANRHFSA-N 1 3 372.557 2.819 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)cc2)CC1 ZINC000921555024 985316711 /nfs/dbraw/zinc/31/67/11/985316711.db2.gz CWPPMKJLFIOARX-BHIFYINESA-N 1 3 357.542 2.729 20 0 FFADHO Clc1n[nH]c(C2CC2)c1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000921634590 985515709 /nfs/dbraw/zinc/51/57/09/985515709.db2.gz WXQDKZVXZUPVFC-UHFFFAOYSA-N 1 3 374.920 2.637 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000997595478 985580082 /nfs/dbraw/zinc/58/00/82/985580082.db2.gz CXENBMXAJUAMQX-FFZOFVMBSA-N 1 3 358.530 2.529 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CCN(Cc3cccnc3)CC2)CC[N@H+]1C ZINC000997595478 985580086 /nfs/dbraw/zinc/58/00/86/985580086.db2.gz CXENBMXAJUAMQX-FFZOFVMBSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccccc2F)CC1 ZINC000997596734 985582207 /nfs/dbraw/zinc/58/22/07/985582207.db2.gz NSFBCSTWCUTWTQ-FRQCXROJSA-N 1 3 361.505 2.883 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccccc2F)CC1 ZINC000997596734 985582215 /nfs/dbraw/zinc/58/22/15/985582215.db2.gz NSFBCSTWCUTWTQ-FRQCXROJSA-N 1 3 361.505 2.883 20 0 FFADHO OC[C@@H]1CCCN(CC(C[N@@H+]2CCC[C@@H](CO)CC2)c2ccccc2)CC1 ZINC000878656538 1015152040 /nfs/dbraw/zinc/15/20/40/1015152040.db2.gz RJQLEHOPLJGZFL-NHCUHLMSSA-N 1 3 374.569 2.959 20 0 FFADHO OC[C@@H]1CCCN(CC(C[N@H+]2CCC[C@@H](CO)CC2)c2ccccc2)CC1 ZINC000878656538 1015152047 /nfs/dbraw/zinc/15/20/47/1015152047.db2.gz RJQLEHOPLJGZFL-NHCUHLMSSA-N 1 3 374.569 2.959 20 0 FFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000166505492 986118016 /nfs/dbraw/zinc/11/80/16/986118016.db2.gz OYRCNBRBLBHMSO-QXAKKESOSA-N 1 3 360.521 2.855 20 0 FFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000166505492 986118020 /nfs/dbraw/zinc/11/80/20/986118020.db2.gz OYRCNBRBLBHMSO-QXAKKESOSA-N 1 3 360.521 2.855 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)CCN1Cc1ccccc1 ZINC000379629145 986392163 /nfs/dbraw/zinc/39/21/63/986392163.db2.gz OFRPHNHUBLGOGO-IEBWSBKVSA-N 1 3 362.477 2.837 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106111967 986533145 /nfs/dbraw/zinc/53/31/45/986533145.db2.gz UJXDAGBJMVUTJJ-AFJAVLSISA-N 1 3 362.345 2.862 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106111967 986533150 /nfs/dbraw/zinc/53/31/50/986533150.db2.gz UJXDAGBJMVUTJJ-AFJAVLSISA-N 1 3 362.345 2.862 20 0 FFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001272825661 986692879 /nfs/dbraw/zinc/69/28/79/986692879.db2.gz ZDJFEHGPBHIPRH-HNNXBMFYSA-N 1 3 361.452 2.738 20 0 FFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001272825661 986692888 /nfs/dbraw/zinc/69/28/88/986692888.db2.gz ZDJFEHGPBHIPRH-HNNXBMFYSA-N 1 3 361.452 2.738 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715061213 986931373 /nfs/dbraw/zinc/93/13/73/986931373.db2.gz KZKCOFBBHFEAJS-IPMKNSEASA-N 1 3 361.555 2.580 20 0 FFADHO CSCC[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715061213 986931383 /nfs/dbraw/zinc/93/13/83/986931383.db2.gz KZKCOFBBHFEAJS-IPMKNSEASA-N 1 3 361.555 2.580 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000672602867 987503478 /nfs/dbraw/zinc/50/34/78/987503478.db2.gz KAYDFNWYHALKMG-KSZLIROESA-N 1 3 357.502 2.807 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1OC ZINC001212483386 987649040 /nfs/dbraw/zinc/64/90/40/987649040.db2.gz IACKDHLZPNWHJG-RTBURBONSA-N 1 3 367.578 2.893 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1OC ZINC001212483386 987649044 /nfs/dbraw/zinc/64/90/44/987649044.db2.gz IACKDHLZPNWHJG-RTBURBONSA-N 1 3 367.578 2.893 20 0 FFADHO Cc1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311405007 987663931 /nfs/dbraw/zinc/66/39/31/987663931.db2.gz WATPUWZRDCSZKZ-SFTDATJTSA-N 1 3 354.494 2.846 20 0 FFADHO Cc1cccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311405007 987663935 /nfs/dbraw/zinc/66/39/35/987663935.db2.gz WATPUWZRDCSZKZ-SFTDATJTSA-N 1 3 354.494 2.846 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001106255346 987768175 /nfs/dbraw/zinc/76/81/75/987768175.db2.gz NOGBBYMCEZWRTQ-SJLPKXTDSA-N 1 3 363.571 2.849 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1CC(C)C ZINC001212497108 987773761 /nfs/dbraw/zinc/77/37/61/987773761.db2.gz GRAXRSHGYYOKKQ-CEXWTWQISA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1CC(C)C ZINC001212497108 987773764 /nfs/dbraw/zinc/77/37/64/987773764.db2.gz GRAXRSHGYYOKKQ-CEXWTWQISA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001212497108 987773769 /nfs/dbraw/zinc/77/37/69/987773769.db2.gz GRAXRSHGYYOKKQ-CEXWTWQISA-N 1 3 367.578 2.749 20 0 FFADHO CO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001212497108 987773772 /nfs/dbraw/zinc/77/37/72/987773772.db2.gz GRAXRSHGYYOKKQ-CEXWTWQISA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])N[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168704720 987829915 /nfs/dbraw/zinc/82/99/15/987829915.db2.gz OYJPBUWFKRVAJH-CJNGLKHVSA-N 1 3 353.894 2.987 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1)N(C)C ZINC001106282231 987840708 /nfs/dbraw/zinc/84/07/08/987840708.db2.gz ZNGJMPKSPBTZPV-NRSPTQNISA-N 1 3 359.558 2.890 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(Cl)c2)[C@H](C)C1 ZINC001106339491 987981793 /nfs/dbraw/zinc/98/17/93/987981793.db2.gz OGOLJXBTEYVFRT-GDBMZVCRSA-N 1 3 366.937 2.649 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CC4CCC4)c3)C2)[C@@H]1C(C)C ZINC000922395222 988545464 /nfs/dbraw/zinc/54/54/64/988545464.db2.gz RGXHPYWWBXFPJL-CGXNFDGLSA-N 1 3 360.546 2.643 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CC4CCC4)c3)C2)[C@@H]1C(C)C ZINC000922395222 988545470 /nfs/dbraw/zinc/54/54/70/988545470.db2.gz RGXHPYWWBXFPJL-CGXNFDGLSA-N 1 3 360.546 2.643 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]C/C=C\c3ccccc3)[C@H](C)C2)C1 ZINC001106666805 988609111 /nfs/dbraw/zinc/60/91/11/988609111.db2.gz WICWMIKMAHZLAL-ZUXCOXRESA-N 1 3 355.526 2.726 20 0 FFADHO CCc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001106666888 988609956 /nfs/dbraw/zinc/60/99/56/988609956.db2.gz YGZLPKAFYWGSIN-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCOCC)[C@H](C)C1 ZINC001106775378 989017822 /nfs/dbraw/zinc/01/78/22/989017822.db2.gz AKFHMVNUMOQHPF-RTBURBONSA-N 1 3 355.567 2.609 20 0 FFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439239 989587439 /nfs/dbraw/zinc/58/74/39/989587439.db2.gz AAVMEPMSXKAQQJ-HBMCJLEFSA-N 1 3 355.526 2.831 20 0 FFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439239 989587447 /nfs/dbraw/zinc/58/74/47/989587447.db2.gz AAVMEPMSXKAQQJ-HBMCJLEFSA-N 1 3 355.526 2.831 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCC2)C1)N(C)C ZINC001099301491 989841260 /nfs/dbraw/zinc/84/12/60/989841260.db2.gz WAFFJBOCXUSLDV-BZUAXINKSA-N 1 3 363.468 2.742 20 0 FFADHO CCCN(C(=O)c1ccc(OCC[NH+](CC)CC)cc1)[C@H]1CCN(C)C1 ZINC000649001271 990032356 /nfs/dbraw/zinc/03/23/56/990032356.db2.gz KYGXWKRGRRTQTD-IBGZPJMESA-N 1 3 361.530 2.964 20 0 FFADHO CCc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652361940 1015542128 /nfs/dbraw/zinc/54/21/28/1015542128.db2.gz UBZFOOJJAUVPCA-PWRODBHTSA-N 1 3 373.541 2.568 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CN1C1CC1 ZINC000130533099 990553164 /nfs/dbraw/zinc/55/31/64/990553164.db2.gz OVIBGPCEHNWCTL-QRVBRYPASA-N 1 3 362.562 2.909 20 0 FFADHO O=C(CN1CC[C@@H]2CSC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000879560584 1015587126 /nfs/dbraw/zinc/58/71/26/1015587126.db2.gz XUIGAHPXTKPVTH-UXHICEINSA-N 1 3 373.566 2.584 20 0 FFADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CNCc1c(F)cccc1F ZINC001106898278 990797164 /nfs/dbraw/zinc/79/71/64/990797164.db2.gz BNNRFQNTJZGDNI-HZPDHXFCSA-N 1 3 367.484 2.881 20 0 FFADHO CCCN(C)CC(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923180827 990936229 /nfs/dbraw/zinc/93/62/29/990936229.db2.gz SWYRRJRBPCPPEF-FQEVSTJZSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@H]1CN(CC(=O)NCc2ccccc2OC2CCCC2)CC[C@@H]1C[NH3+] ZINC000923497182 991189487 /nfs/dbraw/zinc/18/94/87/991189487.db2.gz GLMIAZJRRQDCKX-DLBZAZTESA-N 1 3 359.514 2.541 20 0 FFADHO N[C@H](CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC000237883576 991375431 /nfs/dbraw/zinc/37/54/31/991375431.db2.gz PARYRZVUYXVYKW-RBUKOAKNSA-N 1 3 367.449 2.624 20 0 FFADHO CCCCCCN1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001485008700 991809459 /nfs/dbraw/zinc/80/94/59/991809459.db2.gz SBKJOJBCOHLWAE-RTBURBONSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCCCN1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001485008700 991809467 /nfs/dbraw/zinc/80/94/67/991809467.db2.gz SBKJOJBCOHLWAE-RTBURBONSA-N 1 3 365.562 2.600 20 0 FFADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079158946 991861973 /nfs/dbraw/zinc/86/19/73/991861973.db2.gz BZYDWHIJXKPJAQ-FFZOFVMBSA-N 1 3 361.505 2.852 20 0 FFADHO COc1cccc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001080383776 993002183 /nfs/dbraw/zinc/00/21/83/993002183.db2.gz WVNRBCFWPVEDPE-JXXFODFXSA-N 1 3 359.514 2.535 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCCC(F)(F)F)[C@H](C)C1 ZINC001107040829 993294288 /nfs/dbraw/zinc/29/42/88/993294288.db2.gz PFUITWQKOZHTKF-HUUCEWRRSA-N 1 3 351.457 2.743 20 0 FFADHO CN1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001081097805 993639920 /nfs/dbraw/zinc/63/99/20/993639920.db2.gz GHBWCXYALZKFAQ-XUVXKRRUSA-N 1 3 369.534 2.927 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001131515570 994344022 /nfs/dbraw/zinc/34/40/22/994344022.db2.gz SDDGGIILIDUAOJ-AABGKKOBSA-N 1 3 367.578 2.749 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001082511755 994758547 /nfs/dbraw/zinc/75/85/47/994758547.db2.gz OXMZMRJYBKOEBK-IEBWSBKVSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC001082557086 994925739 /nfs/dbraw/zinc/92/57/39/994925739.db2.gz OCPWYLFQILWEJN-GDBMZVCRSA-N 1 3 357.489 2.733 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001082575223 994998313 /nfs/dbraw/zinc/99/83/13/994998313.db2.gz RIEDZZMCRIEOQZ-AHRSYUTCSA-N 1 3 360.546 2.728 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC(C)C)C1)N(C)C ZINC001082589232 995001677 /nfs/dbraw/zinc/00/16/77/995001677.db2.gz PZZFPBOBOLHYCX-BHIYHBOVSA-N 1 3 361.530 2.751 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cc(C4CC4)no3)C2)CC[N@@H+]1C ZINC001086700604 995321726 /nfs/dbraw/zinc/32/17/26/995321726.db2.gz AQIJHBFDTQVTMA-RTBCOKGWSA-N 1 3 374.529 2.657 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cc(C4CC4)no3)C2)CC[N@H+]1C ZINC001086700604 995321730 /nfs/dbraw/zinc/32/17/30/995321730.db2.gz AQIJHBFDTQVTMA-RTBCOKGWSA-N 1 3 374.529 2.657 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2OC)C1)N(C)C ZINC001082748639 995327561 /nfs/dbraw/zinc/32/75/61/995327561.db2.gz UTWNNCJFHAJMBT-XYPHTWIQSA-N 1 3 367.921 2.625 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001082724208 995360256 /nfs/dbraw/zinc/36/02/56/995360256.db2.gz OSQAENSIOCHCLT-XNRPHZJLSA-N 1 3 357.951 2.924 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccccc1OC1CC1 ZINC001082740684 995394995 /nfs/dbraw/zinc/39/49/95/995394995.db2.gz CKVRTVVEKFKPAF-MBOZVWFJSA-N 1 3 371.525 2.649 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC001082743320 995402010 /nfs/dbraw/zinc/40/20/10/995402010.db2.gz UAYAXQOFIIEQAD-RDTXWAMCSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782724 995490208 /nfs/dbraw/zinc/49/02/08/995490208.db2.gz NBTQXKLAZYQSSW-NSISKUIASA-N 1 3 358.530 2.589 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001158968112 995683814 /nfs/dbraw/zinc/68/38/14/995683814.db2.gz LWBCMFHBEMIXDB-NRFANRHFSA-N 1 3 373.516 2.953 20 0 FFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158968112 995683822 /nfs/dbraw/zinc/68/38/22/995683822.db2.gz LWBCMFHBEMIXDB-NRFANRHFSA-N 1 3 373.516 2.953 20 0 FFADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC000679376850 1016026836 /nfs/dbraw/zinc/02/68/36/1016026836.db2.gz IXENFCZHDLHGSW-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC000679376850 1016026845 /nfs/dbraw/zinc/02/68/45/1016026845.db2.gz IXENFCZHDLHGSW-NJDAHSKKSA-N 1 3 370.541 2.949 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C3CC3)C[C@H]21)C1CC1 ZINC001084407067 996551803 /nfs/dbraw/zinc/55/18/03/996551803.db2.gz GVVFOMUDCPUSAB-FCEUIQTBSA-N 1 3 367.537 2.937 20 0 FFADHO CN(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C3CC3)C[C@H]21)C1CC1 ZINC001084407067 996551806 /nfs/dbraw/zinc/55/18/06/996551806.db2.gz GVVFOMUDCPUSAB-FCEUIQTBSA-N 1 3 367.537 2.937 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084598904 996704235 /nfs/dbraw/zinc/70/42/35/996704235.db2.gz KXIXIPGXPDBKFV-NJDAHSKKSA-N 1 3 355.526 2.841 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC001084598904 996704237 /nfs/dbraw/zinc/70/42/37/996704237.db2.gz KXIXIPGXPDBKFV-NJDAHSKKSA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000825163815 997252948 /nfs/dbraw/zinc/25/29/48/997252948.db2.gz QWYDDQJHSGTWGB-KRWDZBQOSA-N 1 3 369.550 2.865 20 0 FFADHO COc1ccc([C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2[NH2+]C(C)C)cc1 ZINC001090881096 997599046 /nfs/dbraw/zinc/59/90/46/997599046.db2.gz ZHOGYPBGJPNPBK-XUVXKRRUSA-N 1 3 361.530 2.574 20 0 FFADHO CCCN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000844174155 997694516 /nfs/dbraw/zinc/69/45/16/997694516.db2.gz NORHDMRKLQWKDB-RTWAWAEBSA-N 1 3 373.541 2.658 20 0 FFADHO COc1ccc(C(=O)C2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903724824 1016156122 /nfs/dbraw/zinc/15/61/22/1016156122.db2.gz QXIRCIWHPHSFLV-FQEVSTJZSA-N 1 3 372.509 2.749 20 0 FFADHO C[C@@H](NCc1ccc(C[NH3+])cc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000844924304 998231163 /nfs/dbraw/zinc/23/11/63/998231163.db2.gz OJLMQTCSYCHUBR-IIBYNOLFSA-N 1 3 357.473 2.664 20 0 FFADHO COc1cc2c(cc1OC)C(C)(C)N(C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903784043 1016197065 /nfs/dbraw/zinc/19/70/65/1016197065.db2.gz JSRNIMCSPKEHRS-QGZVFWFLSA-N 1 3 374.525 2.956 20 0 FFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943879 998241264 /nfs/dbraw/zinc/24/12/64/998241264.db2.gz FIZTZIAFUNSWMU-DGQTTZFYSA-N 1 3 373.516 2.897 20 0 FFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943879 998241291 /nfs/dbraw/zinc/24/12/91/998241291.db2.gz FIZTZIAFUNSWMU-DGQTTZFYSA-N 1 3 373.516 2.897 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCc3ccccc3)[C@H]2C1)N(C)C ZINC001084964542 998399480 /nfs/dbraw/zinc/39/94/80/998399480.db2.gz FVEVPSXANVCQJF-HKBOAZHASA-N 1 3 357.542 2.738 20 0 FFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCc3ccccc3)[C@H]2C1)N(C)C ZINC001084964542 998399489 /nfs/dbraw/zinc/39/94/89/998399489.db2.gz FVEVPSXANVCQJF-HKBOAZHASA-N 1 3 357.542 2.738 20 0 FFADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(O)cc1C(F)(F)F ZINC001144388192 998449575 /nfs/dbraw/zinc/44/95/75/998449575.db2.gz VIDBHSIVZDSAOJ-DLBZAZTESA-N 1 3 357.420 2.621 20 0 FFADHO O=C(c1ccn(-c2ccncc2)n1)N1CC[C@H]2CC[N@@H+](C/C=C/Cl)[C@H]2C1 ZINC001084986893 998558340 /nfs/dbraw/zinc/55/83/40/998558340.db2.gz BXENBQSDBVHRPR-OSXMJTCVSA-N 1 3 371.872 2.556 20 0 FFADHO O=C(c1ccn(-c2ccncc2)n1)N1CC[C@H]2CC[N@H+](C/C=C/Cl)[C@H]2C1 ZINC001084986893 998558344 /nfs/dbraw/zinc/55/83/44/998558344.db2.gz BXENBQSDBVHRPR-OSXMJTCVSA-N 1 3 371.872 2.556 20 0 FFADHO Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]32)cs1 ZINC001085033058 998722816 /nfs/dbraw/zinc/72/28/16/998722816.db2.gz OPFHAZUNJGRRFG-LZQZEXGQSA-N 1 3 361.555 2.821 20 0 FFADHO Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]32)cs1 ZINC001085033058 998722818 /nfs/dbraw/zinc/72/28/18/998722818.db2.gz OPFHAZUNJGRRFG-LZQZEXGQSA-N 1 3 361.555 2.821 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1CC ZINC001085217816 999185224 /nfs/dbraw/zinc/18/52/24/999185224.db2.gz RURSRRVTNKTCFR-QRVBRYPASA-N 1 3 362.518 2.628 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1conc1CC ZINC001085217816 999185227 /nfs/dbraw/zinc/18/52/27/999185227.db2.gz RURSRRVTNKTCFR-QRVBRYPASA-N 1 3 362.518 2.628 20 0 FFADHO O=c1ccccn1Cc1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903922714 1016307792 /nfs/dbraw/zinc/30/77/92/1016307792.db2.gz CLMJLPLBNSBHIE-UHFFFAOYSA-N 1 3 359.473 2.832 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)c2F)C1 ZINC001085422023 999496306 /nfs/dbraw/zinc/49/63/06/999496306.db2.gz FLPLIXBXIDMFDW-DJIMGWMZSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cccc(Cl)c2F)C1 ZINC001085422023 999496308 /nfs/dbraw/zinc/49/63/08/999496308.db2.gz FLPLIXBXIDMFDW-DJIMGWMZSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+](CC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F)C1CCCC1 ZINC001273338448 999555019 /nfs/dbraw/zinc/55/50/19/999555019.db2.gz GCIMINICFFGWIC-HOTGVXAUSA-N 1 3 361.452 2.879 20 0 FFADHO C[N@@H+](CC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F)C1CCCC1 ZINC001273338448 999555020 /nfs/dbraw/zinc/55/50/20/999555020.db2.gz GCIMINICFFGWIC-HOTGVXAUSA-N 1 3 361.452 2.879 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCCc2cccc(F)c2)CC[N@@H+]1C ZINC001085605304 999593374 /nfs/dbraw/zinc/59/33/74/999593374.db2.gz GIAZIHCRWGXUMZ-LSTHTHJFSA-N 1 3 361.505 2.631 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCCc2cccc(F)c2)CC[N@H+]1C ZINC001085605304 999593379 /nfs/dbraw/zinc/59/33/79/999593379.db2.gz GIAZIHCRWGXUMZ-LSTHTHJFSA-N 1 3 361.505 2.631 20 0 FFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001086370191 999874070 /nfs/dbraw/zinc/87/40/70/999874070.db2.gz VJDPFLGUIJMYIQ-BKQFBDTOSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)cc1F ZINC001086370191 999874071 /nfs/dbraw/zinc/87/40/71/999874071.db2.gz VJDPFLGUIJMYIQ-BKQFBDTOSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168832636 1000000452 /nfs/dbraw/zinc/00/04/52/1000000452.db2.gz FQLWXFAEGOYOSY-BRSBDYLESA-N 1 3 367.534 2.617 20 0 FFADHO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H](N(C)C)C3)CC2=O)cc1 ZINC001168910513 1000008134 /nfs/dbraw/zinc/00/81/34/1000008134.db2.gz XJGIQPKKDHYPML-CEXWTWQISA-N 1 3 359.514 2.649 20 0 FFADHO COc1ccc(CN2CC[C@H](N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2=O)cc1 ZINC001168910513 1000008137 /nfs/dbraw/zinc/00/81/37/1000008137.db2.gz XJGIQPKKDHYPML-CEXWTWQISA-N 1 3 359.514 2.649 20 0 FFADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc2c(c1)COC21CNC1 ZINC001169178866 1000030972 /nfs/dbraw/zinc/03/09/72/1000030972.db2.gz BQHLSWOIUJQFCB-UHFFFAOYSA-N 1 3 363.461 2.777 20 0 FFADHO CC(=O)N1CCC[C@H]([NH+]2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)C1 ZINC001169611548 1000065022 /nfs/dbraw/zinc/06/50/22/1000065022.db2.gz RFDHHHHMTCIKDT-FQEVSTJZSA-N 1 3 370.541 2.769 20 0 FFADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001169750370 1000073435 /nfs/dbraw/zinc/07/34/35/1000073435.db2.gz KCRDSWAVJVNBNL-NJDAHSKKSA-N 1 3 371.525 2.524 20 0 FFADHO CC[C@@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2)OC ZINC001109473100 1000531481 /nfs/dbraw/zinc/53/14/81/1000531481.db2.gz VXQHUCFFZQKRIZ-XWSJACJDSA-N 1 3 365.562 2.786 20 0 FFADHO CC[C@@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2)OC ZINC001109473100 1000531490 /nfs/dbraw/zinc/53/14/90/1000531490.db2.gz VXQHUCFFZQKRIZ-XWSJACJDSA-N 1 3 365.562 2.786 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCOC)N(CC)CC ZINC001109714551 1000897152 /nfs/dbraw/zinc/89/71/52/1000897152.db2.gz OHFQGHJQSLEYJZ-XWSJACJDSA-N 1 3 353.551 2.645 20 0 FFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCOC)N(CC)CC ZINC001109714551 1000897158 /nfs/dbraw/zinc/89/71/58/1000897158.db2.gz OHFQGHJQSLEYJZ-XWSJACJDSA-N 1 3 353.551 2.645 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001109797203 1001012782 /nfs/dbraw/zinc/01/27/82/1001012782.db2.gz YWWWYJCPZDPELU-ZRNYENFQSA-N 1 3 365.562 2.789 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001109797203 1001012789 /nfs/dbraw/zinc/01/27/89/1001012789.db2.gz YWWWYJCPZDPELU-ZRNYENFQSA-N 1 3 365.562 2.789 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001091721253 1001141590 /nfs/dbraw/zinc/14/15/90/1001141590.db2.gz XUZFHPXCYDLALF-URVUXULASA-N 1 3 355.526 2.841 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001091721253 1001141594 /nfs/dbraw/zinc/14/15/94/1001141594.db2.gz XUZFHPXCYDLALF-URVUXULASA-N 1 3 355.526 2.841 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737502 1001183810 /nfs/dbraw/zinc/18/38/10/1001183810.db2.gz GORQBECDGAKXAO-SJBKTWHCSA-N 1 3 355.526 2.616 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737502 1001183812 /nfs/dbraw/zinc/18/38/12/1001183812.db2.gz GORQBECDGAKXAO-SJBKTWHCSA-N 1 3 355.526 2.616 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCc2cccs2)C1 ZINC001112548718 1001458487 /nfs/dbraw/zinc/45/84/87/1001458487.db2.gz NXGLEAGSGMPNOD-PXNSSMCTSA-N 1 3 363.571 2.851 20 0 FFADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087083888 1001762057 /nfs/dbraw/zinc/76/20/57/1001762057.db2.gz WZVLESRLRKYUQN-DFQSSKMNSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@]3(C)C2)cc1 ZINC001092010959 1002280123 /nfs/dbraw/zinc/28/01/23/1002280123.db2.gz PPIUUBBFIQGEDV-WPYKKVEZSA-N 1 3 369.553 2.802 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC[C@@H]4C)C[C@]3(C)C2)cc1 ZINC001092010959 1002280131 /nfs/dbraw/zinc/28/01/31/1002280131.db2.gz PPIUUBBFIQGEDV-WPYKKVEZSA-N 1 3 369.553 2.802 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](C/C=C/c4ccccc4)C[C@@]3(C)C2)C1 ZINC001092010692 1002280924 /nfs/dbraw/zinc/28/09/24/1002280924.db2.gz JOBBHXVIKJJGRR-OJRKFUJVSA-N 1 3 367.537 2.822 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](C/C=C/c4ccccc4)C[C@@]3(C)C2)C1 ZINC001092010692 1002280929 /nfs/dbraw/zinc/28/09/29/1002280929.db2.gz JOBBHXVIKJJGRR-OJRKFUJVSA-N 1 3 367.537 2.822 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c(C)c1 ZINC001092012976 1002285482 /nfs/dbraw/zinc/28/54/82/1002285482.db2.gz FOHICNDOYOUDBN-ZEYPLWLESA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c(C)c1 ZINC001092012976 1002285493 /nfs/dbraw/zinc/28/54/93/1002285493.db2.gz FOHICNDOYOUDBN-ZEYPLWLESA-N 1 3 369.553 2.926 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC001092071377 1002367881 /nfs/dbraw/zinc/36/78/81/1002367881.db2.gz TWTOURIQSGRSPB-JQVVWYNYSA-N 1 3 370.541 2.626 20 0 FFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101468 1002407598 /nfs/dbraw/zinc/40/75/98/1002407598.db2.gz FXPOULYLMVIMHL-SBHAEUEKSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@H](NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790747417 1002480083 /nfs/dbraw/zinc/48/00/83/1002480083.db2.gz DGZFKSDZFPSDCI-FPOVZHCZSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@H](C(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1)[NH+]1CCCC1 ZINC001273502035 1002918743 /nfs/dbraw/zinc/91/87/43/1002918743.db2.gz FUJLDKRPOLMRJJ-OAHLLOKOSA-N 1 3 361.452 2.738 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C)CC[N@@H+]1C ZINC001092620432 1003319031 /nfs/dbraw/zinc/31/90/31/1003319031.db2.gz HNGVSYKOWWHODT-FXRXJOCMSA-N 1 3 363.933 2.864 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C)CC[N@H+]1C ZINC001092620432 1003319038 /nfs/dbraw/zinc/31/90/38/1003319038.db2.gz HNGVSYKOWWHODT-FXRXJOCMSA-N 1 3 363.933 2.864 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001092658162 1003364398 /nfs/dbraw/zinc/36/43/98/1003364398.db2.gz JZGCOUAQWDUXAO-ZHALLVOQSA-N 1 3 363.571 2.849 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001092658162 1003364408 /nfs/dbraw/zinc/36/44/08/1003364408.db2.gz JZGCOUAQWDUXAO-ZHALLVOQSA-N 1 3 363.571 2.849 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001092854468 1003673284 /nfs/dbraw/zinc/67/32/84/1003673284.db2.gz LUZRPOGGVOBCSN-BJHRGBFUSA-N 1 3 363.933 2.841 20 0 FFADHO COc1ccc2c(NC3C[C@H]4CC[C@@H](C3)N4CC(=O)N(C)C)cc[nH+]c2c1 ZINC000804819978 1003861359 /nfs/dbraw/zinc/86/13/59/1003861359.db2.gz UTPLRSMQQNADAP-MQVJKMGUSA-N 1 3 368.481 2.739 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775486864 1003967206 /nfs/dbraw/zinc/96/72/06/1003967206.db2.gz FROBRVDJGBHINX-PXNSSMCTSA-N 1 3 362.481 2.663 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)C12CCC[NH+](CCC1)C2 ZINC001095606186 1016843895 /nfs/dbraw/zinc/84/38/95/1016843895.db2.gz WBCWAXCHAVNHOM-IKGGRYGDSA-N 1 3 367.484 2.629 20 0 FFADHO COc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(Br)c1O ZINC001205602778 1004193062 /nfs/dbraw/zinc/19/30/62/1004193062.db2.gz MIIBIZOWJBZPSF-WCQYABFASA-N 1 3 357.292 2.970 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(Cc4cccc(F)c4)C[C@H]32)CC[N@@H+]1C ZINC001050048888 1016871834 /nfs/dbraw/zinc/87/18/34/1016871834.db2.gz AENGYJLZZYHWLR-MCYKXBRJSA-N 1 3 359.489 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(Cc4cccc(F)c4)C[C@H]32)CC[N@H+]1C ZINC001050048888 1016871845 /nfs/dbraw/zinc/87/18/45/1016871845.db2.gz AENGYJLZZYHWLR-MCYKXBRJSA-N 1 3 359.489 2.589 20 0 FFADHO CCN1CC[C@@H](N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC001195659850 1005019051 /nfs/dbraw/zinc/01/90/51/1005019051.db2.gz SPVLNTQCPYSUED-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001095668707 1016955856 /nfs/dbraw/zinc/95/58/56/1016955856.db2.gz UGCRRJOYPYODGK-OWSLCNJRSA-N 1 3 369.500 2.874 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001095668707 1016955868 /nfs/dbraw/zinc/95/58/68/1016955868.db2.gz UGCRRJOYPYODGK-OWSLCNJRSA-N 1 3 369.500 2.874 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001097079383 1017002740 /nfs/dbraw/zinc/00/27/40/1017002740.db2.gz JNVAZMPBBVANAC-OWYHZJEWSA-N 1 3 351.510 2.722 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001097079383 1017002746 /nfs/dbraw/zinc/00/27/46/1017002746.db2.gz JNVAZMPBBVANAC-OWYHZJEWSA-N 1 3 351.510 2.722 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC001086712188 1005967160 /nfs/dbraw/zinc/96/71/60/1005967160.db2.gz UKMCOMRGUGVYJA-GVDBMIGSSA-N 1 3 364.559 2.700 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+]4CCC2CC4)C3)c(C)c1 ZINC001097085683 1017012739 /nfs/dbraw/zinc/01/27/39/1017012739.db2.gz LJNWSXZQGXJNKA-YSFYHYPLSA-N 1 3 367.537 2.867 20 0 FFADHO Cc1ccc(N2CCN(CCCN3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC000852744602 1006166498 /nfs/dbraw/zinc/16/64/98/1006166498.db2.gz FUZKSBYWYIPEBH-UHFFFAOYSA-N 1 3 358.574 2.842 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097101411 1017038803 /nfs/dbraw/zinc/03/88/03/1017038803.db2.gz ONQSOSGLZDRIKO-WEUUYRGXSA-N 1 3 355.526 2.811 20 0 FFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097101411 1017038812 /nfs/dbraw/zinc/03/88/12/1017038812.db2.gz ONQSOSGLZDRIKO-WEUUYRGXSA-N 1 3 355.526 2.811 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(C)c2)CC[N@@H+]1C ZINC001097104049 1017040950 /nfs/dbraw/zinc/04/09/50/1017040950.db2.gz FALVVGIGFGUEEG-XNTOXWQXSA-N 1 3 355.526 2.947 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(C)c2)CC[N@H+]1C ZINC001097104049 1017040965 /nfs/dbraw/zinc/04/09/65/1017040965.db2.gz FALVVGIGFGUEEG-XNTOXWQXSA-N 1 3 355.526 2.947 20 0 FFADHO CCOc1cccc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000883342837 1006758910 /nfs/dbraw/zinc/75/89/10/1006758910.db2.gz NTMIKGDABLXYPI-UHFFFAOYSA-N 1 3 369.509 2.987 20 0 FFADHO O=C(OCCC[NH+]1CCCC1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000800218693 1007209391 /nfs/dbraw/zinc/20/93/91/1007209391.db2.gz ZLHYPXNVNGMLCK-UHFFFAOYSA-N 1 3 360.498 2.534 20 0 FFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)ccc1OC ZINC000775412818 1007785850 /nfs/dbraw/zinc/78/58/50/1007785850.db2.gz XJDQYRSMZXFFIH-JXFKEZNVSA-N 1 3 364.530 2.975 20 0 FFADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(CC[NH3+])cc1 ZINC000817949965 1007822785 /nfs/dbraw/zinc/82/27/85/1007822785.db2.gz VAQQLVZQJSURQT-JOCHJYFZSA-N 1 3 353.510 2.659 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(C)cc3)cc2)CC1 ZINC000818957532 1007995042 /nfs/dbraw/zinc/99/50/42/1007995042.db2.gz SWIVCUAYHOGYOK-HSZRJFAPSA-N 1 3 367.537 2.956 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3ccccc3C)cc2)CC1 ZINC000818956161 1007995136 /nfs/dbraw/zinc/99/51/36/1007995136.db2.gz KBLVLALZOULTMW-HSZRJFAPSA-N 1 3 367.537 2.956 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490977 1008369230 /nfs/dbraw/zinc/36/92/30/1008369230.db2.gz UPQBPFNMRFOCOZ-MHORFTMASA-N 1 3 369.550 2.626 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H](CC[NH+](C)C)C3)cc2)CC1 ZINC001177526262 1008643625 /nfs/dbraw/zinc/64/36/25/1008643625.db2.gz GVJSKBKBEJCEDL-LJQANCHMSA-N 1 3 372.557 2.631 20 0 FFADHO CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@]1(O)CCOC1 ZINC000886629902 1008781167 /nfs/dbraw/zinc/78/11/67/1008781167.db2.gz QLDAPGBAURIKJX-CUXKYVRBSA-N 1 3 358.526 2.807 20 0 FFADHO CCC1(N2CCC2)CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000886709390 1008837726 /nfs/dbraw/zinc/83/77/26/1008837726.db2.gz PWGDQYHBMVWZAO-IBGZPJMESA-N 1 3 370.541 2.964 20 0 FFADHO CN(C)[C@H]1CCC[N@H+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966120 1008843449 /nfs/dbraw/zinc/84/34/49/1008843449.db2.gz CZPNMFBZSKYACB-PXNSSMCTSA-N 1 3 369.550 2.555 20 0 FFADHO CN(C)[C@H]1CCC[N@@H+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966120 1008843458 /nfs/dbraw/zinc/84/34/58/1008843458.db2.gz CZPNMFBZSKYACB-PXNSSMCTSA-N 1 3 369.550 2.555 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000822966120 1008843470 /nfs/dbraw/zinc/84/34/70/1008843470.db2.gz CZPNMFBZSKYACB-PXNSSMCTSA-N 1 3 369.550 2.555 20 0 FFADHO C[N@H+](CCCN1CCCC1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000823016617 1008851478 /nfs/dbraw/zinc/85/14/78/1008851478.db2.gz YNASEHYROQXWNP-HXUWFJFHSA-N 1 3 369.550 2.556 20 0 FFADHO C[N@@H+](CCCN1CCCC1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000823016617 1008851491 /nfs/dbraw/zinc/85/14/91/1008851491.db2.gz YNASEHYROQXWNP-HXUWFJFHSA-N 1 3 369.550 2.556 20 0 FFADHO COC(=O)c1ccc(OC)c(CN2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206750236 1032409432 /nfs/dbraw/zinc/40/94/32/1032409432.db2.gz WVBJGSGSOOQVJH-UHFFFAOYSA-N 1 3 368.477 2.974 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134870491 1009496065 /nfs/dbraw/zinc/49/60/65/1009496065.db2.gz XEHIBGBQSTXULB-PLMTUMEDSA-N 1 3 369.509 2.856 20 0 FFADHO O[C@H](COc1cccc2[nH]ccc21)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134870491 1009496074 /nfs/dbraw/zinc/49/60/74/1009496074.db2.gz XEHIBGBQSTXULB-PLMTUMEDSA-N 1 3 369.509 2.856 20 0 FFADHO C[C@H](C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)N1CCCC1 ZINC001180579352 1009735186 /nfs/dbraw/zinc/73/51/86/1009735186.db2.gz OQIWRHQASCNGSX-RSRIQPTJSA-N 1 3 357.542 2.892 20 0 FFADHO C[C@H](C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)N1CCCC1 ZINC001180579352 1009735195 /nfs/dbraw/zinc/73/51/95/1009735195.db2.gz OQIWRHQASCNGSX-RSRIQPTJSA-N 1 3 357.542 2.892 20 0 FFADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)N1CCCCC1 ZINC000862322677 1009792345 /nfs/dbraw/zinc/79/23/45/1009792345.db2.gz KSGQNRFLQWDALW-SQNIBIBYSA-N 1 3 369.550 2.865 20 0 FFADHO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093223433 1010168677 /nfs/dbraw/zinc/16/86/77/1010168677.db2.gz YUEKOBIVKCDVQM-RHSMWYFYSA-N 1 3 371.447 2.998 20 0 FFADHO C[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093223433 1010168685 /nfs/dbraw/zinc/16/86/85/1010168685.db2.gz YUEKOBIVKCDVQM-RHSMWYFYSA-N 1 3 371.447 2.998 20 0 FFADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC1CCN(C(=O)OCc3ccccc3)CC1)C2 ZINC000863651840 1010276174 /nfs/dbraw/zinc/27/61/74/1010276174.db2.gz NLAKUWAGLLCBEB-SZPZYZBQSA-N 1 3 371.525 2.967 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001182043874 1010357199 /nfs/dbraw/zinc/35/71/99/1010357199.db2.gz QCMYWRSWJOIZPI-JLAWEPINSA-N 1 3 352.906 2.997 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001093770465 1010543284 /nfs/dbraw/zinc/54/32/84/1010543284.db2.gz RFUSBMLVHZKMHZ-GUDVDZBRSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC001093822682 1010593649 /nfs/dbraw/zinc/59/36/49/1010593649.db2.gz VXENLHRHCFJFJH-FQELHTAISA-N 1 3 369.509 2.957 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c(C)s1 ZINC001093824067 1010596148 /nfs/dbraw/zinc/59/61/48/1010596148.db2.gz FVFUAKDOAAWKRX-UPRAQXHNSA-N 1 3 363.571 2.889 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C)s1 ZINC001093835830 1010606961 /nfs/dbraw/zinc/60/69/61/1010606961.db2.gz LJEBMIUWVCBCEX-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cnc(CNC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C)s1 ZINC001093835830 1010606968 /nfs/dbraw/zinc/60/69/68/1010606968.db2.gz LJEBMIUWVCBCEX-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2Cl)[C@H](C)C1)N(C)C ZINC001093857753 1010633653 /nfs/dbraw/zinc/63/36/53/1010633653.db2.gz WFQRHNNBWDBECL-QGPMSJSTSA-N 1 3 351.922 2.864 20 0 FFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001094074855 1010834123 /nfs/dbraw/zinc/83/41/23/1010834123.db2.gz QAOYDVQMPSKFLW-GDBMZVCRSA-N 1 3 360.889 2.798 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001094131215 1010877350 /nfs/dbraw/zinc/87/73/50/1010877350.db2.gz VURSCGBEDMYSPP-KZNAEPCWSA-N 1 3 371.516 2.838 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]Cc1c(F)cccc1Cl ZINC001094221244 1010942549 /nfs/dbraw/zinc/94/25/49/1010942549.db2.gz ZUSVDOWGAFKDDD-HUUCEWRRSA-N 1 3 367.896 2.759 20 0 FFADHO Cc1conc1CNC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001094238195 1010982231 /nfs/dbraw/zinc/98/22/31/1010982231.db2.gz CXBOBPUOONFWII-DNVCBOLYSA-N 1 3 370.497 2.543 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cc(C)no2)CC3)CC[N@@H+]1C ZINC001094417851 1011102235 /nfs/dbraw/zinc/10/22/35/1011102235.db2.gz BJFRSYTZFNVHJV-QEUVDIPISA-N 1 3 374.529 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cc(C)no2)CC3)CC[N@H+]1C ZINC001094417851 1011102241 /nfs/dbraw/zinc/10/22/41/1011102241.db2.gz BJFRSYTZFNVHJV-QEUVDIPISA-N 1 3 374.529 2.574 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857903 1011243573 /nfs/dbraw/zinc/24/35/73/1011243573.db2.gz WGSLEOWYRZUHGG-AQNXPRMDSA-N 1 3 365.562 2.788 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110857903 1011243589 /nfs/dbraw/zinc/24/35/89/1011243589.db2.gz WGSLEOWYRZUHGG-AQNXPRMDSA-N 1 3 365.562 2.788 20 0 FFADHO CCCN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCN(C)C1 ZINC000645163088 1011364476 /nfs/dbraw/zinc/36/44/76/1011364476.db2.gz HIQKQRRTVDYYSZ-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001274421636 1011433860 /nfs/dbraw/zinc/43/38/60/1011433860.db2.gz OFZQMWIKODRKBQ-NRFANRHFSA-N 1 3 358.530 2.705 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718121 1011434405 /nfs/dbraw/zinc/43/44/05/1011434405.db2.gz RCXAOFIGFGSJTH-GVDBMIGSSA-N 1 3 365.518 2.861 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171718121 1011434413 /nfs/dbraw/zinc/43/44/13/1011434413.db2.gz RCXAOFIGFGSJTH-GVDBMIGSSA-N 1 3 365.518 2.861 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645483222 1011498337 /nfs/dbraw/zinc/49/83/37/1011498337.db2.gz PAOMSUBTGSBRGR-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645483222 1011498349 /nfs/dbraw/zinc/49/83/49/1011498349.db2.gz PAOMSUBTGSBRGR-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@H]2C1 ZINC001171907746 1011529954 /nfs/dbraw/zinc/52/99/54/1011529954.db2.gz YOQQYFPDWBLNSE-NJDAHSKKSA-N 1 3 355.526 2.955 20 0 FFADHO C[NH+](C)C1(C)CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000869008175 1011567110 /nfs/dbraw/zinc/56/71/10/1011567110.db2.gz DRVWEFNSUUCUFI-OBXNSHGQSA-N 1 3 358.530 2.823 20 0 FFADHO CNC(=O)NC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171986106 1011581093 /nfs/dbraw/zinc/58/10/93/1011581093.db2.gz FDBCPDCVWHFNMW-IBGZPJMESA-N 1 3 358.530 2.823 20 0 FFADHO CNC(=O)NC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171986106 1011581110 /nfs/dbraw/zinc/58/11/10/1011581110.db2.gz FDBCPDCVWHFNMW-IBGZPJMESA-N 1 3 358.530 2.823 20 0 FFADHO NC(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172078816 1011614197 /nfs/dbraw/zinc/61/41/97/1011614197.db2.gz JCNZJZXCTHJJLQ-ACDBMABISA-N 1 3 356.514 2.705 20 0 FFADHO NC(=O)NC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172078816 1011614201 /nfs/dbraw/zinc/61/42/01/1011614201.db2.gz JCNZJZXCTHJJLQ-ACDBMABISA-N 1 3 356.514 2.705 20 0 FFADHO O[C@H]1CCCN(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172077466 1011614278 /nfs/dbraw/zinc/61/42/78/1011614278.db2.gz TVMSRSRBRHBTLR-LRSLUSHPSA-N 1 3 357.542 2.618 20 0 FFADHO COCCCN1CCC([N@@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172252526 1011728403 /nfs/dbraw/zinc/72/84/03/1011728403.db2.gz OUZGOJOYMMBJDD-QGZVFWFLSA-N 1 3 369.550 2.819 20 0 FFADHO COCCCN1CCC([N@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172252526 1011728415 /nfs/dbraw/zinc/72/84/15/1011728415.db2.gz OUZGOJOYMMBJDD-QGZVFWFLSA-N 1 3 369.550 2.819 20 0 FFADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172283079 1011747015 /nfs/dbraw/zinc/74/70/15/1011747015.db2.gz IHEOWSHCCBUCIS-UXHICEINSA-N 1 3 373.541 2.952 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC1([NH3+])CCC1 ZINC000646256103 1011820255 /nfs/dbraw/zinc/82/02/55/1011820255.db2.gz KJYXSUHBNMFFTN-GOSISDBHSA-N 1 3 367.497 2.849 20 0 FFADHO CC[NH+](CC)CCC(=O)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001275053758 1011861303 /nfs/dbraw/zinc/86/13/03/1011861303.db2.gz OAIDJDVXLFJRJV-OAQYLSRUSA-N 1 3 360.546 2.951 20 0 FFADHO CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)C1 ZINC001172942397 1012117389 /nfs/dbraw/zinc/11/73/89/1012117389.db2.gz OYWFNEXEXXIQFU-LEWJYISDSA-N 1 3 373.541 2.954 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001299471505 1012148169 /nfs/dbraw/zinc/14/81/69/1012148169.db2.gz RADBFKQPSZHRKN-VURPSTOHSA-N 1 3 373.541 2.513 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001299471505 1012148179 /nfs/dbraw/zinc/14/81/79/1012148179.db2.gz RADBFKQPSZHRKN-VURPSTOHSA-N 1 3 373.541 2.513 20 0 FFADHO CCOC(=O)C1(NC2CCC([NH+](CC)CC)CC2)CCN(CC)CC1 ZINC001173105179 1012254931 /nfs/dbraw/zinc/25/49/31/1012254931.db2.gz BTOPLSCUNAARTH-UHFFFAOYSA-N 1 3 353.551 2.647 20 0 FFADHO COc1cccc2c1C[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CO2 ZINC001173151808 1012296000 /nfs/dbraw/zinc/29/60/00/1012296000.db2.gz XVYXXYWHGVUJRQ-LJQANCHMSA-N 1 3 367.493 2.896 20 0 FFADHO O=C(NCC(F)(F)F)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001275343222 1012341403 /nfs/dbraw/zinc/34/14/03/1012341403.db2.gz LGQKTUHVBSKGGV-HNNXBMFYSA-N 1 3 361.452 2.643 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3cccc4[nH]cc(Cl)c43)C2)C1=O ZINC001275423553 1012442911 /nfs/dbraw/zinc/44/29/11/1012442911.db2.gz OVRNOILDVRDTGC-FQEVSTJZSA-N 1 3 374.916 2.807 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3cccc4[nH]cc(Cl)c43)C2)C1=O ZINC001275423553 1012442923 /nfs/dbraw/zinc/44/29/23/1012442923.db2.gz OVRNOILDVRDTGC-FQEVSTJZSA-N 1 3 374.916 2.807 20 0 FFADHO CCN1CC[C@@H](N(Cc2nn(C(C)C)c3c2CC[NH2+]C3)c2nccs2)C1 ZINC001173365127 1012503299 /nfs/dbraw/zinc/50/32/99/1012503299.db2.gz YKRIJUBAGGUEHR-OAHLLOKOSA-N 1 3 374.558 2.667 20 0 FFADHO CN1CCC(NC(=S)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000795140721 1012515560 /nfs/dbraw/zinc/51/55/60/1012515560.db2.gz VMQQHJYFCNBHQC-NRFANRHFSA-N 1 3 372.582 2.553 20 0 FFADHO CN1CCC(NC(=S)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000795140721 1012515577 /nfs/dbraw/zinc/51/55/77/1012515577.db2.gz VMQQHJYFCNBHQC-NRFANRHFSA-N 1 3 372.582 2.553 20 0 FFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000647552074 1012527867 /nfs/dbraw/zinc/52/78/67/1012527867.db2.gz FBJHPRHJGXBGTH-IEBWSBKVSA-N 1 3 358.486 2.707 20 0 FFADHO CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976363 1012650954 /nfs/dbraw/zinc/65/09/54/1012650954.db2.gz NMXHMTIDELYCAH-RBUKOAKNSA-N 1 3 361.505 2.886 20 0 FFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000647977530 1012654768 /nfs/dbraw/zinc/65/47/68/1012654768.db2.gz DBNHWKKRKUBICD-OALUTQOASA-N 1 3 365.562 2.554 20 0 FFADHO COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)cc1 ZINC001173714324 1012911651 /nfs/dbraw/zinc/91/16/51/1012911651.db2.gz LKTYLEFLEPVMTO-VDGAXYAQSA-N 1 3 360.498 2.637 20 0 FFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCc3ccccc3F)CC2)C1=O ZINC001275751694 1012961156 /nfs/dbraw/zinc/96/11/56/1012961156.db2.gz GNLVMGXIBRYUGR-NRFANRHFSA-N 1 3 361.505 2.634 20 0 FFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCc3ccccc3F)CC2)C1=O ZINC001275751694 1012961162 /nfs/dbraw/zinc/96/11/62/1012961162.db2.gz GNLVMGXIBRYUGR-NRFANRHFSA-N 1 3 361.505 2.634 20 0 FFADHO Cc1cccc(CC[NH+]2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 ZINC001275761104 1012969571 /nfs/dbraw/zinc/96/95/71/1012969571.db2.gz IJGDBPUFSOVPKU-UHFFFAOYSA-N 1 3 357.542 2.804 20 0 FFADHO COc1cc([C@@H](C)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)on1 ZINC000924979201 1017570967 /nfs/dbraw/zinc/57/09/67/1017570967.db2.gz MQPDNOKSTMHDSC-CRAIPNDOSA-N 1 3 359.470 2.779 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001097580143 1017660830 /nfs/dbraw/zinc/66/08/30/1017660830.db2.gz SPWCUCYKXDFLSJ-ZJPYXAASSA-N 1 3 367.484 2.628 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1)[C@@H](C1CC1)N1CCCC1 ZINC001097580143 1017660836 /nfs/dbraw/zinc/66/08/36/1017660836.db2.gz SPWCUCYKXDFLSJ-ZJPYXAASSA-N 1 3 367.484 2.628 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1)[C@@H](C1CC1)N1CCCC1 ZINC001097580143 1017660842 /nfs/dbraw/zinc/66/08/42/1017660842.db2.gz SPWCUCYKXDFLSJ-ZJPYXAASSA-N 1 3 367.484 2.628 20 0 FFADHO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000925437737 1017740707 /nfs/dbraw/zinc/74/07/07/1017740707.db2.gz FMILHOCRIKYHEC-SFTDATJTSA-N 1 3 373.541 2.663 20 0 FFADHO COc1cccc2cc([C@@H](C)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc21 ZINC000925849749 1017871815 /nfs/dbraw/zinc/87/18/15/1017871815.db2.gz FEAAYSLYGFMPAE-HIFRSBDPSA-N 1 3 358.438 2.777 20 0 FFADHO COc1cccc2cc([C@H](C)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc21 ZINC000925849747 1017871989 /nfs/dbraw/zinc/87/19/89/1017871989.db2.gz FEAAYSLYGFMPAE-DZGCQCFKSA-N 1 3 358.438 2.777 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)C1 ZINC001097852702 1018019712 /nfs/dbraw/zinc/01/97/12/1018019712.db2.gz DMWSSIRZRAKQPH-PDOICOKGSA-N 1 3 351.510 2.721 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CC2)C1 ZINC001097852702 1018019727 /nfs/dbraw/zinc/01/97/27/1018019727.db2.gz DMWSSIRZRAKQPH-PDOICOKGSA-N 1 3 351.510 2.721 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000681182600 1018401241 /nfs/dbraw/zinc/40/12/41/1018401241.db2.gz MAVGWNXDDDNFRG-GOSISDBHSA-N 1 3 373.545 2.824 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001110934819 1018710372 /nfs/dbraw/zinc/71/03/72/1018710372.db2.gz OFCCDDZIBXZDIL-NMLBUPMWSA-N 1 3 365.562 2.645 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOC(C)C)C1 ZINC001110934819 1018710382 /nfs/dbraw/zinc/71/03/82/1018710382.db2.gz OFCCDDZIBXZDIL-NMLBUPMWSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)CC1 ZINC001110954676 1019185317 /nfs/dbraw/zinc/18/53/17/1019185317.db2.gz SUEZNBTYEGNXMK-NJYVYQBISA-N 1 3 367.537 2.739 20 0 FFADHO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C(C)C)c(C)c2)CC1 ZINC000929395127 1019405569 /nfs/dbraw/zinc/40/55/69/1019405569.db2.gz NSHHQAAYKZQGTF-FQEVSTJZSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000930194470 1019915073 /nfs/dbraw/zinc/91/50/73/1019915073.db2.gz YXNBVYKXUFQKMW-OALUTQOASA-N 1 3 371.525 2.964 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1C ZINC001096348783 1020176501 /nfs/dbraw/zinc/17/65/01/1020176501.db2.gz WEEVZWAEFLZTQZ-WOZUAGRISA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1C ZINC001096348783 1020176503 /nfs/dbraw/zinc/17/65/03/1020176503.db2.gz WEEVZWAEFLZTQZ-WOZUAGRISA-N 1 3 355.526 2.867 20 0 FFADHO CN(Cc1ccccc1)C[C@@H](C[N@@H+]1CCC(CO)(CO)C1)c1ccccc1 ZINC000931035468 1020295309 /nfs/dbraw/zinc/29/53/09/1020295309.db2.gz NSXAAWOXGLJNOR-QFIPXVFZSA-N 1 3 368.521 2.579 20 0 FFADHO CN(Cc1ccccc1)C[C@@H](C[N@H+]1CCC(CO)(CO)C1)c1ccccc1 ZINC000931035468 1020295314 /nfs/dbraw/zinc/29/53/14/1020295314.db2.gz NSXAAWOXGLJNOR-QFIPXVFZSA-N 1 3 368.521 2.579 20 0 FFADHO C[NH+](C)CCC[C@@H]1CN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CCO1 ZINC000931075006 1020308236 /nfs/dbraw/zinc/30/82/36/1020308236.db2.gz GXPXMWMNFUODEX-FGTMMUONSA-N 1 3 369.550 2.722 20 0 FFADHO COc1cc(C[C@@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc(OC)c1 ZINC000903106106 1020680749 /nfs/dbraw/zinc/68/07/49/1020680749.db2.gz WWFROZVVEPJSMC-FQVATPOOSA-N 1 3 374.525 2.602 20 0 FFADHO COc1cc(C[C@@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc(OC)c1 ZINC000903106106 1020680755 /nfs/dbraw/zinc/68/07/55/1020680755.db2.gz WWFROZVVEPJSMC-FQVATPOOSA-N 1 3 374.525 2.602 20 0 FFADHO CCc1cc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)ncn1 ZINC000903121244 1020688923 /nfs/dbraw/zinc/68/89/23/1020688923.db2.gz TVFRLQXZOPLKMK-FQVATPOOSA-N 1 3 355.530 2.755 20 0 FFADHO CCc1cc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)ncn1 ZINC000903121244 1020688927 /nfs/dbraw/zinc/68/89/27/1020688927.db2.gz TVFRLQXZOPLKMK-FQVATPOOSA-N 1 3 355.530 2.755 20 0 FFADHO CCCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCC2)C3)c1 ZINC001098400637 1020873240 /nfs/dbraw/zinc/87/32/40/1020873240.db2.gz GUHKBLVROAJIRH-NRSPTQNISA-N 1 3 371.525 2.793 20 0 FFADHO CCCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCC2)C3)c1 ZINC001098400637 1020873245 /nfs/dbraw/zinc/87/32/45/1020873245.db2.gz GUHKBLVROAJIRH-NRSPTQNISA-N 1 3 371.525 2.793 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C[N@H+](C)CC)C3)cc2)CC1 ZINC000749225177 1020885516 /nfs/dbraw/zinc/88/55/16/1020885516.db2.gz AZDMTVNNKCIPFQ-SFHVURJKSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C[N@@H+](C)CC)C3)cc2)CC1 ZINC000749225177 1020885525 /nfs/dbraw/zinc/88/55/25/1020885525.db2.gz AZDMTVNNKCIPFQ-SFHVURJKSA-N 1 3 373.545 2.634 20 0 FFADHO CC[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2)OC ZINC001098460823 1020927965 /nfs/dbraw/zinc/92/79/65/1020927965.db2.gz KFTWMSIIOHYIIM-BWPNAZKDSA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2)OC ZINC001098460823 1020927969 /nfs/dbraw/zinc/92/79/69/1020927969.db2.gz KFTWMSIIOHYIIM-BWPNAZKDSA-N 1 3 359.514 2.508 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000749825548 1021046187 /nfs/dbraw/zinc/04/61/87/1021046187.db2.gz HASJKPPGTCBUFU-PMACEKPBSA-N 1 3 374.598 2.988 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2 ZINC001098875529 1021291683 /nfs/dbraw/zinc/29/16/83/1021291683.db2.gz RPUXDGQDYCURMQ-ONTIZHBOSA-N 1 3 370.541 2.815 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2 ZINC001098875529 1021291688 /nfs/dbraw/zinc/29/16/88/1021291688.db2.gz RPUXDGQDYCURMQ-ONTIZHBOSA-N 1 3 370.541 2.815 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001099121822 1021862541 /nfs/dbraw/zinc/86/25/41/1021862541.db2.gz IDFKJNZAMZZLHN-QRFRQXIXSA-N 1 3 361.555 2.869 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001099121822 1021862551 /nfs/dbraw/zinc/86/25/51/1021862551.db2.gz IDFKJNZAMZZLHN-QRFRQXIXSA-N 1 3 361.555 2.869 20 0 FFADHO Cc1cccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001099448165 1022543074 /nfs/dbraw/zinc/54/30/74/1022543074.db2.gz UDFYHBDELXHTOD-RXVVDRJESA-N 1 3 370.541 2.593 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nc(C)cs2)C1)N(C)C ZINC001099453062 1022552226 /nfs/dbraw/zinc/55/22/26/1022552226.db2.gz BWGSKQUWYBYVAN-FCEWJHQRSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](N[C@H]3CCc4c3c(F)ccc4F)C2)CC[N@@H+]1C ZINC001020171363 1022572914 /nfs/dbraw/zinc/57/29/14/1022572914.db2.gz YVBAKQSGQMCAMV-YVXGTMEXSA-N 1 3 363.452 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](N[C@H]3CCc4c3c(F)ccc4F)C2)CC[N@H+]1C ZINC001020171363 1022572919 /nfs/dbraw/zinc/57/29/19/1022572919.db2.gz YVBAKQSGQMCAMV-YVXGTMEXSA-N 1 3 363.452 2.529 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1 ZINC001099496346 1022631646 /nfs/dbraw/zinc/63/16/46/1022631646.db2.gz HQRUEBKUAHYFDS-CBQOVEMMSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ccccc3)C2)C1 ZINC001099499996 1022634834 /nfs/dbraw/zinc/63/48/34/1022634834.db2.gz LYKAMWBHUOLILB-VCOUNFBDSA-N 1 3 355.526 2.747 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)C1 ZINC001111275576 1023289250 /nfs/dbraw/zinc/28/92/50/1023289250.db2.gz ZHKLEZHFRUPOLI-ZSXPUABSSA-N 1 3 371.525 2.519 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)C1 ZINC001111275576 1023289253 /nfs/dbraw/zinc/28/92/53/1023289253.db2.gz ZHKLEZHFRUPOLI-ZSXPUABSSA-N 1 3 371.525 2.519 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])N(C)C)cc1 ZINC001120625397 1023392601 /nfs/dbraw/zinc/39/26/01/1023392601.db2.gz YKYOBUPEPBRPGX-HHXXYDBFSA-N 1 3 362.543 2.534 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001491464069 1023605424 /nfs/dbraw/zinc/60/54/24/1023605424.db2.gz UYHMTYUVBNOPQP-ZYSHUDEJSA-N 1 3 359.514 2.552 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccccc2OC2CC2)CC[N@H+]1C ZINC001491464069 1023605429 /nfs/dbraw/zinc/60/54/29/1023605429.db2.gz UYHMTYUVBNOPQP-ZYSHUDEJSA-N 1 3 359.514 2.552 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001121653883 1023906527 /nfs/dbraw/zinc/90/65/27/1023906527.db2.gz FUXBMBJSTWZVDK-SCIMBWJRSA-N 1 3 374.577 2.632 20 0 FFADHO CCn1c(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001121653883 1023906530 /nfs/dbraw/zinc/90/65/30/1023906530.db2.gz FUXBMBJSTWZVDK-SCIMBWJRSA-N 1 3 374.577 2.632 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101400277 1024637305 /nfs/dbraw/zinc/63/73/05/1024637305.db2.gz PDTFWDKYQYIJMS-NUJGCVRESA-N 1 3 357.489 2.544 20 0 FFADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101400277 1024637308 /nfs/dbraw/zinc/63/73/08/1024637308.db2.gz PDTFWDKYQYIJMS-NUJGCVRESA-N 1 3 357.489 2.544 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCCc3ccsc3)C[C@@]2(C)C1 ZINC001101443652 1024758142 /nfs/dbraw/zinc/75/81/42/1024758142.db2.gz MWJNVRNXNNMTQH-QUCCMNQESA-N 1 3 363.571 2.803 20 0 FFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCCc3ccsc3)C[C@@]2(C)C1 ZINC001101443652 1024758153 /nfs/dbraw/zinc/75/81/53/1024758153.db2.gz MWJNVRNXNNMTQH-QUCCMNQESA-N 1 3 363.571 2.803 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101478458 1024847862 /nfs/dbraw/zinc/84/78/62/1024847862.db2.gz OUMATANTCGZYJW-SCTDSRPQSA-N 1 3 371.516 2.932 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)C[C@@]2(C)C1 ZINC001101478458 1024847886 /nfs/dbraw/zinc/84/78/86/1024847886.db2.gz OUMATANTCGZYJW-SCTDSRPQSA-N 1 3 371.516 2.932 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001102051668 1025362559 /nfs/dbraw/zinc/36/25/59/1025362559.db2.gz DFJMRAYGTORACE-UYAOXDASSA-N 1 3 357.542 2.706 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001102051668 1025362578 /nfs/dbraw/zinc/36/25/78/1025362578.db2.gz DFJMRAYGTORACE-UYAOXDASSA-N 1 3 357.542 2.706 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059265 1025377635 /nfs/dbraw/zinc/37/76/35/1025377635.db2.gz IYASQVIBWLCGTF-BHIYHBOVSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059265 1025377646 /nfs/dbraw/zinc/37/76/46/1025377646.db2.gz IYASQVIBWLCGTF-BHIYHBOVSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)s1 ZINC001102059439 1025379098 /nfs/dbraw/zinc/37/90/98/1025379098.db2.gz PCJVGGSAIBEEEQ-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(CN2C[C@@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)[C@H](C)C2)s1 ZINC001102059439 1025379114 /nfs/dbraw/zinc/37/91/14/1025379114.db2.gz PCJVGGSAIBEEEQ-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1C)[NH+](CC)CC ZINC001102356278 1025795408 /nfs/dbraw/zinc/79/54/08/1025795408.db2.gz CQPTZPFDMXYUNG-QGPMSJSTSA-N 1 3 366.575 2.756 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102369803 1025827734 /nfs/dbraw/zinc/82/77/34/1025827734.db2.gz HLRROXFDISAAAG-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1 ZINC001102369803 1025827756 /nfs/dbraw/zinc/82/77/56/1025827756.db2.gz HLRROXFDISAAAG-WAOWUJCRSA-N 1 3 357.542 2.775 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430612 1025964679 /nfs/dbraw/zinc/96/46/79/1025964679.db2.gz YOBPPFFGFPWPHM-HSALFYBXSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430612 1025964692 /nfs/dbraw/zinc/96/46/92/1025964692.db2.gz YOBPPFFGFPWPHM-HSALFYBXSA-N 1 3 367.578 2.752 20 0 FFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1C ZINC001102496216 1026130858 /nfs/dbraw/zinc/13/08/58/1026130858.db2.gz KEMNOIGHHYYVRZ-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1C ZINC001102496216 1026130864 /nfs/dbraw/zinc/13/08/64/1026130864.db2.gz KEMNOIGHHYYVRZ-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102525247 1026214457 /nfs/dbraw/zinc/21/44/57/1026214457.db2.gz SLURFJJCKRTQQH-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1C ZINC001102525247 1026214468 /nfs/dbraw/zinc/21/44/68/1026214468.db2.gz SLURFJJCKRTQQH-WOIUINJBSA-N 1 3 371.569 2.817 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC001102525223 1026216444 /nfs/dbraw/zinc/21/64/44/1026216444.db2.gz QTUAQRXOYRZCGJ-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC001102525223 1026216449 /nfs/dbraw/zinc/21/64/49/1026216449.db2.gz QTUAQRXOYRZCGJ-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1C ZINC001102600851 1026401555 /nfs/dbraw/zinc/40/15/55/1026401555.db2.gz YGDNACQOFAHZGP-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C ZINC001102600851 1026401564 /nfs/dbraw/zinc/40/15/64/1026401564.db2.gz YGDNACQOFAHZGP-NVXWUHKLSA-N 1 3 351.922 2.864 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000838765317 1026498190 /nfs/dbraw/zinc/49/81/90/1026498190.db2.gz GVQFRKOARIKDIN-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000838765317 1026498195 /nfs/dbraw/zinc/49/81/95/1026498195.db2.gz GVQFRKOARIKDIN-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083689 1026944440 /nfs/dbraw/zinc/94/44/40/1026944440.db2.gz DNDYSVYNRULPQO-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083689 1026944450 /nfs/dbraw/zinc/94/44/50/1026944450.db2.gz DNDYSVYNRULPQO-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)s1 ZINC001103083871 1026944677 /nfs/dbraw/zinc/94/46/77/1026944677.db2.gz NFZQZHPNYNDMJL-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)s1 ZINC001103083871 1026944684 /nfs/dbraw/zinc/94/46/84/1026944684.db2.gz NFZQZHPNYNDMJL-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090331 1026951465 /nfs/dbraw/zinc/95/14/65/1026951465.db2.gz RMINFRXPHADWEM-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090331 1026951470 /nfs/dbraw/zinc/95/14/70/1026951470.db2.gz RMINFRXPHADWEM-GDBMZVCRSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cccnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111854 1026971596 /nfs/dbraw/zinc/97/15/96/1026971596.db2.gz RFMSEFMCGUUMSM-GGPKGHCWSA-N 1 3 360.546 2.550 20 0 FFADHO Cc1cccnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103111854 1026971601 /nfs/dbraw/zinc/97/16/01/1026971601.db2.gz RFMSEFMCGUUMSM-GGPKGHCWSA-N 1 3 360.546 2.550 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1C ZINC001103156578 1027010869 /nfs/dbraw/zinc/01/08/69/1027010869.db2.gz LZEAZLAJXWUOPK-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1C ZINC001103156578 1027010873 /nfs/dbraw/zinc/01/08/73/1027010873.db2.gz LZEAZLAJXWUOPK-GDBMZVCRSA-N 1 3 366.575 2.756 20 0 FFADHO C[C@@H]1CN(Cc2cscn2)C[C@H]1CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001103192568 1027045330 /nfs/dbraw/zinc/04/53/30/1027045330.db2.gz ZOOCKQCDAYIYHC-GDBMZVCRSA-N 1 3 369.494 2.679 20 0 FFADHO COc1ccc2ccc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)nc2c1 ZINC001158580692 1027066740 /nfs/dbraw/zinc/06/67/40/1027066740.db2.gz JOBVDQPVDKVHFJ-UHFFFAOYSA-N 1 3 354.498 2.896 20 0 FFADHO CN1CCC(N(c2cc(-c3ccc(F)cc3)ncn2)C2CC[NH2+]CC2)CC1 ZINC001158589495 1027070636 /nfs/dbraw/zinc/07/06/36/1027070636.db2.gz SVGDZMRORSWEAU-UHFFFAOYSA-N 1 3 369.488 2.935 20 0 FFADHO Fc1c(CN2CCCCC2)cccc1Nc1nccnc1N1CC[NH2+]CC1 ZINC001159175597 1027296277 /nfs/dbraw/zinc/29/62/77/1027296277.db2.gz ACIVVOJZUMFIHZ-UHFFFAOYSA-N 1 3 370.476 2.755 20 0 FFADHO Cc1nc(CN2C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C2)sc1C ZINC001103378849 1027352936 /nfs/dbraw/zinc/35/29/36/1027352936.db2.gz NTWZPZZHZBARSX-RHSMWYFYSA-N 1 3 366.575 2.676 20 0 FFADHO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3[nH]ccc4nccc3-4)cc2)CC1 ZINC001159422889 1027386183 /nfs/dbraw/zinc/38/61/83/1027386183.db2.gz CWHPCPBUHGDZOP-QQFBHYJXSA-N 1 3 363.465 2.935 20 0 FFADHO CC[C@H](C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C)[NH+](CC)CC ZINC001103426907 1027458214 /nfs/dbraw/zinc/45/82/14/1027458214.db2.gz SPPBFSAHFOXXSD-JFIYKMOQSA-N 1 3 366.575 2.838 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438668 1027483837 /nfs/dbraw/zinc/48/38/37/1027483837.db2.gz VSJKFZPFHKKDJU-QZTJIDSGSA-N 1 3 360.546 2.634 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CCNC(=O)CN(C)CC(C)(C)C ZINC001103438668 1027483851 /nfs/dbraw/zinc/48/38/51/1027483851.db2.gz VSJKFZPFHKKDJU-QZTJIDSGSA-N 1 3 360.546 2.634 20 0 FFADHO Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439642 1027489623 /nfs/dbraw/zinc/48/96/23/1027489623.db2.gz MOYMQTVGKXSUPM-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103439642 1027489632 /nfs/dbraw/zinc/48/96/32/1027489632.db2.gz MOYMQTVGKXSUPM-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001159787901 1027498886 /nfs/dbraw/zinc/49/88/86/1027498886.db2.gz DKEORRPLTUMVJI-INIZCTEOSA-N 1 3 370.831 2.977 20 0 FFADHO CCN1CCN(c2ccc(Nc3ccccc3N3CC[NH2+]CC3)cc2)CC1 ZINC001159813088 1027508849 /nfs/dbraw/zinc/50/88/49/1027508849.db2.gz RDXSKAZRXBGKFX-UHFFFAOYSA-N 1 3 365.525 2.982 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](CC)OC)C[C@H]1C ZINC001103542660 1027658511 /nfs/dbraw/zinc/65/85/11/1027658511.db2.gz RNVSGYVGPRLIKB-AQNXPRMDSA-N 1 3 369.594 2.998 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](CC)OC)C[C@H]1C ZINC001103542660 1027658519 /nfs/dbraw/zinc/65/85/19/1027658519.db2.gz RNVSGYVGPRLIKB-AQNXPRMDSA-N 1 3 369.594 2.998 20 0 FFADHO O=C(N1CCC(c2ccc3ccccc3c2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160524705 1027739152 /nfs/dbraw/zinc/73/91/52/1027739152.db2.gz PYFYPTNZSYDKNZ-FYYLOGMGSA-N 1 3 363.505 2.745 20 0 FFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2 ZINC001160956543 1027945783 /nfs/dbraw/zinc/94/57/83/1027945783.db2.gz KGHUBYMYISIRBM-UIALTGQGSA-N 1 3 355.526 2.729 20 0 FFADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001161253280 1028095464 /nfs/dbraw/zinc/09/54/64/1028095464.db2.gz FXLRYMIPFUNDNJ-GJZGRUSLSA-N 1 3 359.392 2.705 20 0 FFADHO CN[C@H](C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1)[C@@H](C)OC(C)(C)C ZINC001161425020 1028164767 /nfs/dbraw/zinc/16/47/67/1028164767.db2.gz QZIZKQKYPKLEKE-APWZRJJASA-N 1 3 361.530 2.559 20 0 FFADHO COc1ccc([C@@H](C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC001161447237 1028180039 /nfs/dbraw/zinc/18/00/39/1028180039.db2.gz WILJNFNRCOWTGQ-QUCCMNQESA-N 1 3 361.530 2.577 20 0 FFADHO Cc1sc(Br)cc1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449976 1028180177 /nfs/dbraw/zinc/18/01/77/1028180177.db2.gz WZOWBHAEJVOCKL-GFCCVEGCSA-N 1 3 374.348 2.575 20 0 FFADHO Cc1ccc2cc(C(=O)N(CCN(C)C)[C@H]3CCC[NH2+]C3)cc(C)c2n1 ZINC001161450359 1028182791 /nfs/dbraw/zinc/18/27/91/1028182791.db2.gz FUKRHJUUYKUZBB-IBGZPJMESA-N 1 3 354.498 2.607 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001161469636 1028189712 /nfs/dbraw/zinc/18/97/12/1028189712.db2.gz UBIPSXJGCQLSDQ-IRXDYDNUSA-N 1 3 363.452 2.512 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001161469636 1028189721 /nfs/dbraw/zinc/18/97/21/1028189721.db2.gz UBIPSXJGCQLSDQ-IRXDYDNUSA-N 1 3 363.452 2.512 20 0 FFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001161526161 1028216357 /nfs/dbraw/zinc/21/63/57/1028216357.db2.gz JTAAXTYKISOUSQ-PZJWPPBQSA-N 1 3 371.500 2.506 20 0 FFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001161526161 1028216372 /nfs/dbraw/zinc/21/63/72/1028216372.db2.gz JTAAXTYKISOUSQ-PZJWPPBQSA-N 1 3 371.500 2.506 20 0 FFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162845365 1028677606 /nfs/dbraw/zinc/67/76/06/1028677606.db2.gz SGDBFCQTBWZXCP-AWEZNQCLSA-N 1 3 353.470 2.546 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCCO1 ZINC001111498112 1028686882 /nfs/dbraw/zinc/68/68/82/1028686882.db2.gz BKNHICBFDIPSIY-WCIQWLHISA-N 1 3 363.546 2.543 20 0 FFADHO [NH3+]C1CCN(C(=O)c2ccc(N[C@H]3CNCc4ccsc43)cc2)CC1 ZINC001163230672 1028850079 /nfs/dbraw/zinc/85/00/79/1028850079.db2.gz QEBOPVJRIKOSON-KRWDZBQOSA-N 1 3 356.495 2.568 20 0 FFADHO CCOC(=O)Cc1coc2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cc12 ZINC001164210848 1029203812 /nfs/dbraw/zinc/20/38/12/1029203812.db2.gz JTYHEEOUWXYJRH-UHFFFAOYSA-N 1 3 373.497 2.976 20 0 FFADHO CN(C)C1(CNc2ccc3c(c2)C(C)(C)CC(=O)N3C)CC[NH+](C)CC1 ZINC001164217478 1029208642 /nfs/dbraw/zinc/20/86/42/1029208642.db2.gz VHSOJAPLOOPIIK-UHFFFAOYSA-N 1 3 358.530 2.769 20 0 FFADHO COc1cccc2c1ccnc2N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001157842508 1029674349 /nfs/dbraw/zinc/67/43/49/1029674349.db2.gz SYBQVCJOQGZWTD-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO N[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC001157959727 1029692618 /nfs/dbraw/zinc/69/26/18/1029692618.db2.gz FCNIRRVGYNJJMN-IAGOWNOFSA-N 1 3 374.282 2.622 20 0 FFADHO CN[C@H](C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1)[C@@H](C)OC(C)(C)C ZINC001158028455 1029710846 /nfs/dbraw/zinc/71/08/46/1029710846.db2.gz RGEQZQXRBWABOQ-FUHIMQAGSA-N 1 3 353.551 2.550 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CCCc3ccccc32)CC1 ZINC001158161685 1029748038 /nfs/dbraw/zinc/74/80/38/1029748038.db2.gz YOEFAIFTJYUGEO-FQEVSTJZSA-N 1 3 357.542 2.942 20 0 FFADHO O=C([C@H]1CC[C@@H](c2ccccc2)[NH2+]C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335223 1029801537 /nfs/dbraw/zinc/80/15/37/1029801537.db2.gz ONDMXYRXUFWCKZ-JKLQHZFJSA-N 1 3 361.489 2.825 20 0 FFADHO CCN1CCN(c2ccc(Nc3ccc(O[C@H]4CC[NH2+]C4)nc3)cc2)CC1 ZINC001165213104 1029900720 /nfs/dbraw/zinc/90/07/20/1029900720.db2.gz GNAINJPSKXDPTD-FQEVSTJZSA-N 1 3 367.497 2.708 20 0 FFADHO CN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000841747415 1030444846 /nfs/dbraw/zinc/44/48/46/1030444846.db2.gz ATDPIOGSNXFGTJ-SOAGJPPSSA-N 1 3 358.530 2.952 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841871173 1030511232 /nfs/dbraw/zinc/51/12/32/1030511232.db2.gz RVJOSYPUFAZERO-QGZVFWFLSA-N 1 3 354.498 2.508 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CNC/C(Cl)=C/Cl)C2)CC[N@@H+]1C ZINC001112359759 1030654230 /nfs/dbraw/zinc/65/42/30/1030654230.db2.gz JNKAMAZOZAKUOI-QDLLUVOTSA-N 1 3 374.356 2.864 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CNC/C(Cl)=C/Cl)C2)CC[N@H+]1C ZINC001112359759 1030654237 /nfs/dbraw/zinc/65/42/37/1030654237.db2.gz JNKAMAZOZAKUOI-QDLLUVOTSA-N 1 3 374.356 2.864 20 0 FFADHO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699666332 1030708366 /nfs/dbraw/zinc/70/83/66/1030708366.db2.gz RQEWLCXYRGEDCL-ZBFHGGJFSA-N 1 3 369.550 2.910 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001112425337 1030788638 /nfs/dbraw/zinc/78/86/38/1030788638.db2.gz JAOCNCPEVARTEB-VBQJREDUSA-N 1 3 362.345 2.864 20 0 FFADHO CCC(CC)[NH2+]CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC001203728870 1030851272 /nfs/dbraw/zinc/85/12/72/1030851272.db2.gz TUHUBXNSLKNCFV-UHFFFAOYSA-N 1 3 361.534 2.728 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000796693671 1030885415 /nfs/dbraw/zinc/88/54/15/1030885415.db2.gz IFPYSJBQTKBMKE-XMTFNYHQSA-N 1 3 369.550 2.626 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000796797863 1030919829 /nfs/dbraw/zinc/91/98/29/1030919829.db2.gz JDHYPYMOCHQFGZ-ADHGMGHFSA-N 1 3 369.550 2.767 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001142848219 1030952319 /nfs/dbraw/zinc/95/23/19/1030952319.db2.gz CZFSWCIMLOFCAV-IRXDYDNUSA-N 1 3 367.484 2.975 20 0 FFADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccc[nH]1)CC2 ZINC001204005029 1031033201 /nfs/dbraw/zinc/03/32/01/1031033201.db2.gz AUIIQBAHGVALHI-FQEVSTJZSA-N 1 3 361.530 2.744 20 0 FFADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccc[nH]1)CC2 ZINC001204005029 1031033222 /nfs/dbraw/zinc/03/32/22/1031033222.db2.gz AUIIQBAHGVALHI-FQEVSTJZSA-N 1 3 361.530 2.744 20 0 FFADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccccn1)CC2 ZINC001204058381 1031069833 /nfs/dbraw/zinc/06/98/33/1031069833.db2.gz NEGPLDRSBRCBAN-OAQYLSRUSA-N 1 3 373.541 2.811 20 0 FFADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccccn1)CC2 ZINC001204058381 1031069851 /nfs/dbraw/zinc/06/98/51/1031069851.db2.gz NEGPLDRSBRCBAN-OAQYLSRUSA-N 1 3 373.541 2.811 20 0 FFADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001204087322 1031091625 /nfs/dbraw/zinc/09/16/25/1031091625.db2.gz ALYIFDFWCVYYCJ-FQUUOJAGSA-N 1 3 365.440 2.762 20 0 FFADHO CC(=O)n1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC001204412962 1031273367 /nfs/dbraw/zinc/27/33/67/1031273367.db2.gz VODQPYZYYPGYCB-UHFFFAOYSA-N 1 3 368.525 2.761 20 0 FFADHO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC001205182716 1031579781 /nfs/dbraw/zinc/57/97/81/1031579781.db2.gz IYCOQPCGHKTDDN-DENIHFKCSA-N 1 3 364.537 2.930 20 0 FFADHO C[C@@H]1CCN(Cc2sc(N3CCC(O)CC3)nc2Cl)CC[C@@H]1C[NH3+] ZINC001205626308 1031882930 /nfs/dbraw/zinc/88/29/30/1031882930.db2.gz FPVWPVAXHJWLBQ-CHWSQXEVSA-N 1 3 372.966 2.564 20 0 FFADHO CCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1F ZINC001205659508 1031912652 /nfs/dbraw/zinc/91/26/52/1031912652.db2.gz JWSBLWPSIDPAPS-PKOBYXMFSA-N 1 3 358.461 2.866 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C34CCC([NH3+])(CC3)CC4)cc2)CC1 ZINC001218845838 1033371496 /nfs/dbraw/zinc/37/14/96/1033371496.db2.gz JVHNHFGLQQZKNO-UHFFFAOYSA-N 1 3 370.541 2.814 20 0 FFADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H](N)CCOCc2ccccc2)cc1 ZINC001218899353 1033399620 /nfs/dbraw/zinc/39/96/20/1033399620.db2.gz YOAAVGNTTKNQLI-IBGZPJMESA-N 1 3 355.482 2.796 20 0 FFADHO Cc1cn(-c2cc(NC(=O)[C@@H](N)CCCC[NH3+])cc(C(F)(F)F)c2)cn1 ZINC001218905740 1033403868 /nfs/dbraw/zinc/40/38/68/1033403868.db2.gz SDCGQVBCYMCPQP-HNNXBMFYSA-N 1 3 369.391 2.594 20 0 FFADHO CC(C)CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223446628 1033446576 /nfs/dbraw/zinc/44/65/76/1033446576.db2.gz NORLQWUKMNUDKF-HSALFYBXSA-N 1 3 367.578 2.558 20 0 FFADHO CC(C)CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223446628 1033446590 /nfs/dbraw/zinc/44/65/90/1033446590.db2.gz NORLQWUKMNUDKF-HSALFYBXSA-N 1 3 367.578 2.558 20 0 FFADHO O=C(Nc1cccc2c1CNC2)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001218994062 1033447381 /nfs/dbraw/zinc/44/73/81/1033447381.db2.gz YUUYYDTWHWQKBH-UHFFFAOYSA-N 1 3 361.445 2.750 20 0 FFADHO CC/C=C/CCN1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067286 1033503044 /nfs/dbraw/zinc/50/30/44/1033503044.db2.gz OXLYLPJOZJUZPY-YIYNPQHWSA-N 1 3 363.546 2.520 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955202 1033658453 /nfs/dbraw/zinc/65/84/53/1033658453.db2.gz JUDHYNJEMSTXGD-QUCCMNQESA-N 1 3 358.530 2.545 20 0 FFADHO COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cnc(N)nc2)CC3)c1 ZINC001138164475 1033883700 /nfs/dbraw/zinc/88/37/00/1033883700.db2.gz UXSZACLFOWLNGS-UHFFFAOYSA-N 1 3 367.497 2.556 20 0 FFADHO COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cnc(N)nc2)CC3)c1 ZINC001138164475 1033883710 /nfs/dbraw/zinc/88/37/10/1033883710.db2.gz UXSZACLFOWLNGS-UHFFFAOYSA-N 1 3 367.497 2.556 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC001220348385 1034131862 /nfs/dbraw/zinc/13/18/62/1034131862.db2.gz ZOSBUJHAYJWFGD-YJBOKZPZSA-N 1 3 356.514 2.637 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001220618626 1034294042 /nfs/dbraw/zinc/29/40/42/1034294042.db2.gz ABAAXTCLYDPALI-NHCUHLMSSA-N 1 3 372.557 2.997 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1OC(C)C ZINC001138573274 1034427863 /nfs/dbraw/zinc/42/78/63/1034427863.db2.gz DRHTURGPBXFMEW-RBUKOAKNSA-N 1 3 361.530 2.693 20 0 FFADHO COc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1OC(C)C ZINC001138573274 1034427871 /nfs/dbraw/zinc/42/78/71/1034427871.db2.gz DRHTURGPBXFMEW-RBUKOAKNSA-N 1 3 361.530 2.693 20 0 FFADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@]2(N)CCc3cc(F)ccc3C2)cc1 ZINC001220904775 1034449823 /nfs/dbraw/zinc/44/98/23/1034449823.db2.gz BXZAUQFYIIWPKE-JOCHJYFZSA-N 1 3 369.484 2.562 20 0 FFADHO Cc1c(CN2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)ccc(F)c1F ZINC001277144699 1034774572 /nfs/dbraw/zinc/77/45/72/1034774572.db2.gz KWFDUBNDLCWEBC-HXUWFJFHSA-N 1 3 365.468 2.792 20 0 FFADHO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F)C1CC1 ZINC001226790951 1034843156 /nfs/dbraw/zinc/84/31/56/1034843156.db2.gz IFKKZJQKMLSUNC-QRVBRYPASA-N 1 3 365.468 2.822 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226891986 1034874339 /nfs/dbraw/zinc/87/43/39/1034874339.db2.gz XEWZAOFDIZTREC-IPMKNSEASA-N 1 3 358.530 2.781 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226891986 1034874350 /nfs/dbraw/zinc/87/43/50/1034874350.db2.gz XEWZAOFDIZTREC-IPMKNSEASA-N 1 3 358.530 2.781 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1F)N(C)C ZINC001227057626 1034923470 /nfs/dbraw/zinc/92/34/70/1034923470.db2.gz XSAIGRBDEVWWEF-GUDVDZBRSA-N 1 3 367.484 2.865 20 0 FFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC[C@@H]1CCC=CO1 ZINC001227161326 1034956815 /nfs/dbraw/zinc/95/68/15/1034956815.db2.gz QEUSAZLDLXVBKJ-FQEVSTJZSA-N 1 3 361.530 2.943 20 0 FFADHO CC[C@H](COC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160537 1034957028 /nfs/dbraw/zinc/95/70/28/1034957028.db2.gz JADVVCKEHLBXQO-LJQANCHMSA-N 1 3 351.535 2.675 20 0 FFADHO CC(C)OCCCN1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715159 1035006258 /nfs/dbraw/zinc/00/62/58/1035006258.db2.gz DPCZTNUQHSQHMF-RTBURBONSA-N 1 3 365.562 2.599 20 0 FFADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228647439 1036231706 /nfs/dbraw/zinc/23/17/06/1036231706.db2.gz SPMPNEJLCWNEBW-QZTJIDSGSA-N 1 3 355.567 2.798 20 0 FFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1)N1CCCCCC1 ZINC001228932300 1036415027 /nfs/dbraw/zinc/41/50/27/1036415027.db2.gz MXILRCUFJFDSMW-MISYRCLQSA-N 1 3 365.562 2.695 20 0 FFADHO c1nc2n(c1C[NH+]1CCCCC1)CCN(Cc1cnn3ccccc13)CC2 ZINC001233237832 1036456483 /nfs/dbraw/zinc/45/64/83/1036456483.db2.gz XOMJNJKXFXFOFU-UHFFFAOYSA-N 1 3 364.497 2.575 20 0 FFADHO C[NH+](C)CCC(=O)c1ccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001229304573 1036604759 /nfs/dbraw/zinc/60/47/59/1036604759.db2.gz JCIFIFSQEIQQTG-PUZFROQSSA-N 1 3 360.498 2.843 20 0 FFADHO Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)CCC[NH+]2CCCC2)sn1 ZINC001230257454 1037179641 /nfs/dbraw/zinc/17/96/41/1037179641.db2.gz SWSSRUWYQXAKHL-QZTJIDSGSA-N 1 3 364.559 2.845 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001207281040 1037310336 /nfs/dbraw/zinc/31/03/36/1037310336.db2.gz ZBRXHMRFPIYLPS-OAQYLSRUSA-N 1 3 358.530 2.626 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001207281040 1037310348 /nfs/dbraw/zinc/31/03/48/1037310348.db2.gz ZBRXHMRFPIYLPS-OAQYLSRUSA-N 1 3 358.530 2.626 20 0 FFADHO CN(Cc1ccco1)Cc1cncc2c1CCN(CC1CC[NH2+]CC1)C2 ZINC001207437254 1037440967 /nfs/dbraw/zinc/44/09/67/1037440967.db2.gz ROOHPUQVJYMOBT-UHFFFAOYSA-N 1 3 354.498 2.664 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(Cl)ccc3F)C[C@@H]1CC[NH2+]CC2 ZINC001235348490 1037495405 /nfs/dbraw/zinc/49/54/05/1037495405.db2.gz CJRLBQRUTCMBRI-KSSFIOAISA-N 1 3 354.853 2.844 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541083 1037532429 /nfs/dbraw/zinc/53/24/29/1037532429.db2.gz SFLGJFIIGHOTSR-HSALFYBXSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541083 1037532438 /nfs/dbraw/zinc/53/24/38/1037532438.db2.gz SFLGJFIIGHOTSR-HSALFYBXSA-N 1 3 367.578 2.749 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207617533 1037605197 /nfs/dbraw/zinc/60/51/97/1037605197.db2.gz VEKAYIDACWVVJN-LSTHTHJFSA-N 1 3 361.505 2.967 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207617533 1037605217 /nfs/dbraw/zinc/60/52/17/1037605217.db2.gz VEKAYIDACWVVJN-LSTHTHJFSA-N 1 3 361.505 2.967 20 0 FFADHO COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001207617740 1037608281 /nfs/dbraw/zinc/60/82/81/1037608281.db2.gz YEUBEIQFDJVBRC-YVWKXTFCSA-N 1 3 359.514 2.506 20 0 FFADHO COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001207617740 1037608286 /nfs/dbraw/zinc/60/82/86/1037608286.db2.gz YEUBEIQFDJVBRC-YVWKXTFCSA-N 1 3 359.514 2.506 20 0 FFADHO [NH3+]Cc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001235595036 1037635977 /nfs/dbraw/zinc/63/59/77/1037635977.db2.gz BEKRRYGHPAUIKL-PZJWPPBQSA-N 1 3 355.457 2.622 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235695106 1037690799 /nfs/dbraw/zinc/69/07/99/1037690799.db2.gz OZGKICKVCNVRCJ-GOSISDBHSA-N 1 3 359.514 2.650 20 0 FFADHO c1cncc(O[C@@H]2CCCN(Cc3cccc(CN4CC[NH2+]CC4)c3)C2)c1 ZINC001235711827 1037705763 /nfs/dbraw/zinc/70/57/63/1037705763.db2.gz BPYNEYNACCPOGW-JOCHJYFZSA-N 1 3 366.509 2.530 20 0 FFADHO C[NH+]1CCC(CN2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001235791643 1037746942 /nfs/dbraw/zinc/74/69/42/1037746942.db2.gz BGPKVKGPQAIVCZ-KRWDZBQOSA-N 1 3 352.320 2.737 20 0 FFADHO C[NH+](C)CCOCc1ncn2c1CN(CC1(c3ccccc3)CC1)CCC2 ZINC001207838231 1037778705 /nfs/dbraw/zinc/77/87/05/1037778705.db2.gz XUBHORQGMATIAN-UHFFFAOYSA-N 1 3 368.525 2.899 20 0 FFADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207849232 1037785776 /nfs/dbraw/zinc/78/57/76/1037785776.db2.gz CGISXRHMECWYFV-UXHICEINSA-N 1 3 359.514 2.564 20 0 FFADHO COc1c(-c2cccc(CN3CCCCC3)c2F)ncnc1C1C[NH2+]C1 ZINC001236012181 1037890699 /nfs/dbraw/zinc/89/06/99/1037890699.db2.gz MTXCUTKUFBIQOU-UHFFFAOYSA-N 1 3 356.445 2.964 20 0 FFADHO [NH3+]C1CN([C@H]2CCCN(Cc3ccccc3OCc3ccccc3)C2)C1 ZINC001236072261 1037914298 /nfs/dbraw/zinc/91/42/98/1037914298.db2.gz FRWTVOGTKSHJNN-NRFANRHFSA-N 1 3 351.494 2.873 20 0 FFADHO Fc1ccc(OC(F)(F)F)cc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236126932 1037941926 /nfs/dbraw/zinc/94/19/26/1037941926.db2.gz GODWHEXGTZMURI-UHFFFAOYSA-N 1 3 361.383 2.594 20 0 FFADHO Cc1ccc(CN2CCC([NH+]3CCNCC3)CC2)c(Br)c1 ZINC001236127286 1037944184 /nfs/dbraw/zinc/94/41/84/1037944184.db2.gz FIAAGPBCRRPEAL-UHFFFAOYSA-N 1 3 352.320 2.627 20 0 FFADHO Fc1cc(-c2ccc(N3CC[NH2+]CC3)nn2)ccc1CN1CCCCC1 ZINC001236233686 1037996192 /nfs/dbraw/zinc/99/61/92/1037996192.db2.gz OESDKHFVWONRCV-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO Cn1c2ccccc2n(C2CCN(CC3(C)CC[NH+](C)CC3)CC2)c1=O ZINC001208112920 1038043584 /nfs/dbraw/zinc/04/35/84/1038043584.db2.gz CCTLHKLSJMKWHB-UHFFFAOYSA-N 1 3 356.514 2.709 20 0 FFADHO Fc1ccc(CN(Cc2ccc3c(n2)OCCO3)CC2CC[NH2+]CC2)cc1 ZINC001236385628 1038064736 /nfs/dbraw/zinc/06/47/36/1038064736.db2.gz YLUOUTCJYSGAJA-UHFFFAOYSA-N 1 3 371.456 2.994 20 0 FFADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc(F)c1 ZINC001255618756 1038071372 /nfs/dbraw/zinc/07/13/72/1038071372.db2.gz YVSIKUJUOGKTDT-UHFFFAOYSA-N 1 3 373.538 2.500 20 0 FFADHO Cc1ccccc1CN(Cc1cn2c(n1)CNCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555149 1038127903 /nfs/dbraw/zinc/12/79/03/1038127903.db2.gz DGBRLKHVGCWLCD-KESTWPANSA-N 1 3 353.514 2.567 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1 ZINC001277611453 1038172581 /nfs/dbraw/zinc/17/25/81/1038172581.db2.gz CWHZBCMOMZDJQZ-IBGZPJMESA-N 1 3 369.431 2.577 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)c1 ZINC001277611453 1038172584 /nfs/dbraw/zinc/17/25/84/1038172584.db2.gz CWHZBCMOMZDJQZ-IBGZPJMESA-N 1 3 369.431 2.577 20 0 FFADHO CCN(CC)CCC[NH2+]C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255924341 1038252560 /nfs/dbraw/zinc/25/25/60/1038252560.db2.gz YXJAISQPLUBWJX-UHFFFAOYSA-N 1 3 363.546 2.990 20 0 FFADHO FC(F)(F)c1ccc([C@@H]2C[NH2+]CCN2Cc2ccc3n2CCNC3)cc1 ZINC001236804933 1038279134 /nfs/dbraw/zinc/27/91/34/1038279134.db2.gz VTBWRKHGGYCXEB-SFHVURJKSA-N 1 3 364.415 2.757 20 0 FFADHO C[NH+](C)CC[C@H](NC1CCN(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001255969990 1038281674 /nfs/dbraw/zinc/28/16/74/1038281674.db2.gz JNUVNXUVQSGRRP-INIZCTEOSA-N 1 3 357.420 2.822 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434768 1038313106 /nfs/dbraw/zinc/31/31/06/1038313106.db2.gz AVMULOZFYDLVLX-IEBWSBKVSA-N 1 3 365.562 2.504 20 0 FFADHO CC[NH+]1CCC(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)CC1 ZINC001208599173 1038438676 /nfs/dbraw/zinc/43/86/76/1038438676.db2.gz IEGIPJUDPSEMTF-PWRODBHTSA-N 1 3 359.514 2.562 20 0 FFADHO c1ccc(CN2CCC[C@@H](C[NH+]3CCC(N4CCOCC4)CC3)C2)cc1 ZINC001208933989 1038594547 /nfs/dbraw/zinc/59/45/47/1038594547.db2.gz XGJBCUDVJDSRFC-NRFANRHFSA-N 1 3 357.542 2.695 20 0 FFADHO Brc1ccnc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256679743 1038599705 /nfs/dbraw/zinc/59/97/05/1038599705.db2.gz SFKYMEXADYLPBB-UHFFFAOYSA-N 1 3 354.292 2.577 20 0 FFADHO COC(=O)C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC001256684891 1038601286 /nfs/dbraw/zinc/60/12/86/1038601286.db2.gz VLMYWDHMMIBWNL-ACBHZAAOSA-N 1 3 352.519 2.731 20 0 FFADHO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683769 1038601520 /nfs/dbraw/zinc/60/15/20/1038601520.db2.gz GYYJULCSLLTFFJ-UHFFFAOYSA-N 1 3 369.550 2.913 20 0 FFADHO c1cc(N2CCC(NCc3cc(OCC4CCC4)ncn3)CC2)cc[nH+]1 ZINC001256852811 1038634730 /nfs/dbraw/zinc/63/47/30/1038634730.db2.gz HQQKLRGRIUODPB-UHFFFAOYSA-N 1 3 353.470 2.809 20 0 FFADHO COc1ccccc1CN1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256861207 1038638431 /nfs/dbraw/zinc/63/84/31/1038638431.db2.gz SAEFJZHNUPEWTE-UHFFFAOYSA-N 1 3 366.509 2.877 20 0 FFADHO CCC[NH+](CCC)CCN1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC001209106097 1038667728 /nfs/dbraw/zinc/66/77/28/1038667728.db2.gz VTSUSDIIJGJCIY-UHFFFAOYSA-N 1 3 367.578 2.659 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CCCC2(CCN(Cc3ccnc(Cl)c3)CC2)C1 ZINC001279004246 1038758182 /nfs/dbraw/zinc/75/81/82/1038758182.db2.gz KAQUCZPGXGUGMO-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO CN(C)C(=O)C[N@H+]1CCCC2(CCN(Cc3ccnc(Cl)c3)CC2)C1 ZINC001279004246 1038758188 /nfs/dbraw/zinc/75/81/88/1038758188.db2.gz KAQUCZPGXGUGMO-UHFFFAOYSA-N 1 3 364.921 2.501 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1)CC(F)(F)F ZINC001276658242 1039066213 /nfs/dbraw/zinc/06/62/13/1039066213.db2.gz ZAJWVYVDDQOKPP-WBVHZDCISA-N 1 3 363.468 2.841 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1)CC(F)(F)F ZINC001276658242 1039066229 /nfs/dbraw/zinc/06/62/29/1039066229.db2.gz ZAJWVYVDDQOKPP-WBVHZDCISA-N 1 3 363.468 2.841 20 0 FFADHO COc1ncc(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1F ZINC001278420559 1039144903 /nfs/dbraw/zinc/14/49/03/1039144903.db2.gz PLFCCMWSKFKXRD-CALCHBBNSA-N 1 3 358.461 2.901 20 0 FFADHO COc1ncc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1F ZINC001278420559 1039144913 /nfs/dbraw/zinc/14/49/13/1039144913.db2.gz PLFCCMWSKFKXRD-CALCHBBNSA-N 1 3 358.461 2.901 20 0 FFADHO CC(C)(Cc1ccccc1F)NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246004900 1039187702 /nfs/dbraw/zinc/18/77/02/1039187702.db2.gz XYPOJLGKBOSPOC-RBUKOAKNSA-N 1 3 366.427 2.946 20 0 FFADHO N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC001246015973 1039194144 /nfs/dbraw/zinc/19/41/44/1039194144.db2.gz CYIVYIZCMGTXKP-KYJSFNMBSA-N 1 3 353.466 2.920 20 0 FFADHO C[C@@H](CCc1ccc(Br)cc1)NC[C@]1(O)CCCC[NH2+]C1 ZINC001246107491 1039246920 /nfs/dbraw/zinc/24/69/20/1039246920.db2.gz HBBUPUURXMRBPH-YOEHRIQHSA-N 1 3 355.320 2.864 20 0 FFADHO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@]1(O)CCCCNC1 ZINC001246107491 1039246926 /nfs/dbraw/zinc/24/69/26/1039246926.db2.gz HBBUPUURXMRBPH-YOEHRIQHSA-N 1 3 355.320 2.864 20 0 FFADHO O[C@]1(C[NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCCNC1 ZINC001246226310 1039283939 /nfs/dbraw/zinc/28/39/39/1039283939.db2.gz FYTYMOIJSVQCAZ-FYYLOGMGSA-N 1 3 366.505 2.827 20 0 FFADHO CCOC(=O)C1=C(NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCNC1 ZINC001246285306 1039297894 /nfs/dbraw/zinc/29/78/94/1039297894.db2.gz RHWYVYGXPMMUDN-IAGOWNOFSA-N 1 3 371.525 2.828 20 0 FFADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246312054 1039311384 /nfs/dbraw/zinc/31/13/84/1039311384.db2.gz FEIUKXUOWJPTDC-JJXSEGSLSA-N 1 3 370.534 2.782 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246413371 1039344019 /nfs/dbraw/zinc/34/40/19/1039344019.db2.gz VTJCOPIMYFTYJX-MOUJJLBJSA-N 1 3 368.562 2.703 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@H](CC)CC(C)C)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246409739 1039344049 /nfs/dbraw/zinc/34/40/49/1039344049.db2.gz GYGDLOKSUFHXAR-RWLNFDPSSA-N 1 3 356.551 2.703 20 0 FFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ncn4ccccc34)CC2)C1 ZINC001278448184 1039344538 /nfs/dbraw/zinc/34/45/38/1039344538.db2.gz MUXLCBZTSGPLGQ-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ncn4ccccc34)CC2)C1 ZINC001278448184 1039344543 /nfs/dbraw/zinc/34/45/43/1039344543.db2.gz MUXLCBZTSGPLGQ-UHFFFAOYSA-N 1 3 355.530 2.574 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]1CNCCC2 ZINC001246611623 1039413994 /nfs/dbraw/zinc/41/39/94/1039413994.db2.gz UZUCPSQLDNGHQE-QRFRQXIXSA-N 1 3 362.901 2.672 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]1CNCCC2 ZINC001246611623 1039414001 /nfs/dbraw/zinc/41/40/01/1039414001.db2.gz UZUCPSQLDNGHQE-QRFRQXIXSA-N 1 3 362.901 2.672 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H](N3CC[C@H]4[NH2+]CC[C@H]43)CC[C@H]2C1 ZINC001246636911 1039424883 /nfs/dbraw/zinc/42/48/83/1039424883.db2.gz HFJBUHIJSVKTHS-WRTQPQOASA-N 1 3 353.510 2.754 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@]23CNC[C@@H](C[C@@H]2C1)O3 ZINC001246683437 1039437349 /nfs/dbraw/zinc/43/73/49/1039437349.db2.gz JTRXLLGYIBJXRW-MOIQIXESSA-N 1 3 370.415 2.969 20 0 FFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]23CNC[C@@H](C[C@@H]2C1)O3 ZINC001246683437 1039437357 /nfs/dbraw/zinc/43/73/57/1039437357.db2.gz JTRXLLGYIBJXRW-MOIQIXESSA-N 1 3 370.415 2.969 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@@H+]2CCN[C@H](C(C)C)C2)CC1 ZINC001246684455 1039437450 /nfs/dbraw/zinc/43/74/50/1039437450.db2.gz FTLHDRIFCJXLCS-IBGZPJMESA-N 1 3 361.530 2.598 20 0 FFADHO COc1cccc(OC)c1CN1CCC([N@H+]2CCN[C@H](C(C)C)C2)CC1 ZINC001246684455 1039437458 /nfs/dbraw/zinc/43/74/58/1039437458.db2.gz FTLHDRIFCJXLCS-IBGZPJMESA-N 1 3 361.530 2.598 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)CCN1 ZINC001246707177 1039443424 /nfs/dbraw/zinc/44/34/24/1039443424.db2.gz MZZTXWMUYXCRQA-NBYUQASBSA-N 1 3 373.516 2.883 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)CCN1 ZINC001246707177 1039443428 /nfs/dbraw/zinc/44/34/28/1039443428.db2.gz MZZTXWMUYXCRQA-NBYUQASBSA-N 1 3 373.516 2.883 20 0 FFADHO CC(C)[C@@H]1C[C@H](N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]1 ZINC001246749009 1039462566 /nfs/dbraw/zinc/46/25/66/1039462566.db2.gz QJVPGYDRIAHJAU-UKAVVXHISA-N 1 3 361.505 2.740 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@@H+]([C@H]4CCN[C@H](C(C)C)C4)C[C@@H]3C2=O)c1 ZINC001246749822 1039463479 /nfs/dbraw/zinc/46/34/79/1039463479.db2.gz WXAHYJMQPBGWBW-TUFLPTIASA-N 1 3 355.526 2.662 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@H+]([C@H]4CCN[C@H](C(C)C)C4)C[C@@H]3C2=O)c1 ZINC001246749822 1039463497 /nfs/dbraw/zinc/46/34/97/1039463497.db2.gz WXAHYJMQPBGWBW-TUFLPTIASA-N 1 3 355.526 2.662 20 0 FFADHO C[C@@H]1C[C@H](N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)CC[NH2+]1 ZINC001246754363 1039465374 /nfs/dbraw/zinc/46/53/74/1039465374.db2.gz IIEDQWAFCVCQAZ-QRQLOZEOSA-N 1 3 364.484 2.755 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C3)n1 ZINC001246753519 1039465840 /nfs/dbraw/zinc/46/58/40/1039465840.db2.gz NLNLJTXGBNNPFD-VXSCBNMQSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+]([C@H]2CCN[C@@H](C)C2)C3)n1 ZINC001246753519 1039465855 /nfs/dbraw/zinc/46/58/55/1039465855.db2.gz NLNLJTXGBNNPFD-VXSCBNMQSA-N 1 3 373.541 2.918 20 0 FFADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@H]2CC[NH2+][C@@H](C)C2)C3)n1 ZINC001246753519 1039465858 /nfs/dbraw/zinc/46/58/58/1039465858.db2.gz NLNLJTXGBNNPFD-VXSCBNMQSA-N 1 3 373.541 2.918 20 0 FFADHO CC(C)(C)[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)CCN1 ZINC001246757925 1039470350 /nfs/dbraw/zinc/47/03/50/1039470350.db2.gz MZZTXWMUYXCRQA-FRYIKTPZSA-N 1 3 373.516 2.883 20 0 FFADHO CC(C)(C)[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)CCN1 ZINC001246757925 1039470355 /nfs/dbraw/zinc/47/03/55/1039470355.db2.gz MZZTXWMUYXCRQA-FRYIKTPZSA-N 1 3 373.516 2.883 20 0 FFADHO CCOC(=O)[C@]12C[N@@H+]([C@H](C)CSc3ccc(F)cc3)C[C@H]1CNCC2 ZINC001246855818 1039505788 /nfs/dbraw/zinc/50/57/88/1039505788.db2.gz QFHCNTKCPMRWEX-SPYBWZPUSA-N 1 3 366.502 2.781 20 0 FFADHO CCOC(=O)[C@]12C[N@H+]([C@H](C)CSc3ccc(F)cc3)C[C@H]1CNCC2 ZINC001246855818 1039505790 /nfs/dbraw/zinc/50/57/90/1039505790.db2.gz QFHCNTKCPMRWEX-SPYBWZPUSA-N 1 3 366.502 2.781 20 0 FFADHO Fc1cc(C(F)(F)F)ccc1N1CCN([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246867633 1039510134 /nfs/dbraw/zinc/51/01/34/1039510134.db2.gz JMQKYLOCTQBZMI-NHAGDIPZSA-N 1 3 357.395 2.965 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001210477288 1039574380 /nfs/dbraw/zinc/57/43/80/1039574380.db2.gz PWHFWVQGMYPVQC-DYESRHJHSA-N 1 3 357.542 2.844 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001210477288 1039574397 /nfs/dbraw/zinc/57/43/97/1039574397.db2.gz PWHFWVQGMYPVQC-DYESRHJHSA-N 1 3 357.542 2.844 20 0 FFADHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccco1 ZINC001252656850 1039636430 /nfs/dbraw/zinc/63/64/30/1039636430.db2.gz PREMDCSCHLNTIZ-MXEMCNAFSA-N 1 3 370.493 2.942 20 0 FFADHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccco1 ZINC001252656850 1039636438 /nfs/dbraw/zinc/63/64/38/1039636438.db2.gz PREMDCSCHLNTIZ-MXEMCNAFSA-N 1 3 370.493 2.942 20 0 FFADHO COc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001252887667 1039760089 /nfs/dbraw/zinc/76/00/89/1039760089.db2.gz HVJMAOCJVQROBM-GBESFXJTSA-N 1 3 362.514 2.774 20 0 FFADHO COc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001252887667 1039760095 /nfs/dbraw/zinc/76/00/95/1039760095.db2.gz HVJMAOCJVQROBM-GBESFXJTSA-N 1 3 362.514 2.774 20 0 FFADHO CCCC[C@@H](CC)COC[C@H](O)CN(CCOC)C1CC[NH+](C)CC1 ZINC001253002489 1039907055 /nfs/dbraw/zinc/90/70/55/1039907055.db2.gz PEIGMRFLMIVFHT-UYAOXDASSA-N 1 3 358.567 2.623 20 0 FFADHO c1ccc([C@@H]2C[NH2+]CC[C@@H]2c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001247903548 1040035022 /nfs/dbraw/zinc/03/50/22/1040035022.db2.gz USOCPPPMHJWNBB-IRXDYDNUSA-N 1 3 361.449 2.638 20 0 FFADHO CC[NH+](CC)C[C@@H](O)CNCCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC001253207391 1040045148 /nfs/dbraw/zinc/04/51/48/1040045148.db2.gz GPCUNPWXEUWMRQ-AWEZNQCLSA-N 1 3 373.419 2.901 20 0 FFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CO[C@]4(C3)CCC[NH2+]CC4)n2)cc1 ZINC001247928120 1040056629 /nfs/dbraw/zinc/05/66/29/1040056629.db2.gz NSWNDNFVEZWNMD-FXAWDEMLSA-N 1 3 356.470 2.814 20 0 FFADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211337683 1040088033 /nfs/dbraw/zinc/08/80/33/1040088033.db2.gz RZYFZBIETRPFHZ-YLJYHZDGSA-N 1 3 361.530 2.613 20 0 FFADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211337683 1040088046 /nfs/dbraw/zinc/08/80/46/1040088046.db2.gz RZYFZBIETRPFHZ-YLJYHZDGSA-N 1 3 361.530 2.613 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCC1 ZINC001211376659 1040121587 /nfs/dbraw/zinc/12/15/87/1040121587.db2.gz NDMUQDVINIUCCU-OIISXLGYSA-N 1 3 357.489 2.589 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCC1 ZINC001211376659 1040121595 /nfs/dbraw/zinc/12/15/95/1040121595.db2.gz NDMUQDVINIUCCU-OIISXLGYSA-N 1 3 357.489 2.589 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC001253407376 1040157197 /nfs/dbraw/zinc/15/71/97/1040157197.db2.gz JKKMLEYSSSUOKV-CVEARBPZSA-N 1 3 355.320 2.645 20 0 FFADHO CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccc3nc(C)[nH]c3c2)CC1 ZINC001213072070 1040252788 /nfs/dbraw/zinc/25/27/88/1040252788.db2.gz AHVCURHSAGSLJH-UHFFFAOYSA-N 1 3 350.426 2.678 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253636143 1040272981 /nfs/dbraw/zinc/27/29/81/1040272981.db2.gz LHZIVZZZISQWCF-TUNNFDKTSA-N 1 3 374.525 2.820 20 0 FFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253636143 1040272995 /nfs/dbraw/zinc/27/29/95/1040272995.db2.gz LHZIVZZZISQWCF-TUNNFDKTSA-N 1 3 374.525 2.820 20 0 FFADHO Cn1c(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cccc1=O ZINC001248810184 1040445155 /nfs/dbraw/zinc/44/51/55/1040445155.db2.gz BPOFUYQYQIMFTD-UXHICEINSA-N 1 3 351.494 2.729 20 0 FFADHO Cn1c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cccc1=O ZINC001248810184 1040445164 /nfs/dbraw/zinc/44/51/64/1040445164.db2.gz BPOFUYQYQIMFTD-UXHICEINSA-N 1 3 351.494 2.729 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC001253947840 1040464972 /nfs/dbraw/zinc/46/49/72/1040464972.db2.gz SFTDVOOCCZNPSK-QLOJAFMTSA-N 1 3 362.562 2.909 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC001253947840 1040464986 /nfs/dbraw/zinc/46/49/86/1040464986.db2.gz SFTDVOOCCZNPSK-QLOJAFMTSA-N 1 3 362.562 2.909 20 0 FFADHO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C(C)C)C[C@H]1C ZINC001254030310 1040533714 /nfs/dbraw/zinc/53/37/14/1040533714.db2.gz MELUXXXCGBVHGK-GUDVDZBRSA-N 1 3 364.530 2.922 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230474 1040625310 /nfs/dbraw/zinc/62/53/10/1040625310.db2.gz CRBTZNWVEFQIPG-JKSUJKDBSA-N 1 3 353.507 2.767 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230474 1040625324 /nfs/dbraw/zinc/62/53/24/1040625324.db2.gz CRBTZNWVEFQIPG-JKSUJKDBSA-N 1 3 353.507 2.767 20 0 FFADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254230474 1040625330 /nfs/dbraw/zinc/62/53/30/1040625330.db2.gz CRBTZNWVEFQIPG-JKSUJKDBSA-N 1 3 353.507 2.767 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254369471 1040685393 /nfs/dbraw/zinc/68/53/93/1040685393.db2.gz QWBREKNEAGLETI-PCCBWWKXSA-N 1 3 370.541 2.919 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001254369471 1040685400 /nfs/dbraw/zinc/68/54/00/1040685400.db2.gz QWBREKNEAGLETI-PCCBWWKXSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC001254510445 1040761537 /nfs/dbraw/zinc/76/15/37/1040761537.db2.gz WGERJAKALLJZEW-VQIMIIECSA-N 1 3 351.922 2.787 20 0 FFADHO O=C1CCC2(CCN([C@@H]3CC4CC[NH+](CC4)C3)CC2)N1Cc1ccncc1 ZINC001254861934 1041015855 /nfs/dbraw/zinc/01/58/55/1041015855.db2.gz XIZNHEKKWARNAG-HXUWFJFHSA-N 1 3 368.525 2.523 20 0 FFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC[C@@H]21 ZINC001254950836 1041062718 /nfs/dbraw/zinc/06/27/18/1041062718.db2.gz XYLUFCSBAJGFPO-HVSHRVNHSA-N 1 3 370.541 2.814 20 0 FFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC[C@@H]21 ZINC001254950836 1041062730 /nfs/dbraw/zinc/06/27/30/1041062730.db2.gz XYLUFCSBAJGFPO-HVSHRVNHSA-N 1 3 370.541 2.814 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(c4ncccn4)C2)C3)cc1 ZINC001255123312 1041159096 /nfs/dbraw/zinc/15/90/96/1041159096.db2.gz RRGYNTQFQPSHLF-NCYKPQTJSA-N 1 3 363.509 2.841 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(c4ncccn4)C2)C3)cc1 ZINC001255123312 1041159100 /nfs/dbraw/zinc/15/91/00/1041159100.db2.gz RRGYNTQFQPSHLF-NCYKPQTJSA-N 1 3 363.509 2.841 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc(CF)n3)(C1)CCC2 ZINC001278848041 1041187172 /nfs/dbraw/zinc/18/71/72/1041187172.db2.gz KPEOIBQFSQJHLV-MOPGFXCFSA-N 1 3 351.466 2.696 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC/C=C/c1ccccc1 ZINC001214855765 1041595882 /nfs/dbraw/zinc/59/58/82/1041595882.db2.gz NLRGIXPWDZKHBQ-HBJDDQTISA-N 1 3 355.526 2.867 20 0 FFADHO Cc1ccccc1[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001262483250 1041699958 /nfs/dbraw/zinc/69/99/58/1041699958.db2.gz ZTDRTHOHFZNZDE-NMLBUPMWSA-N 1 3 355.526 2.931 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCN(Cc4cccc(F)c4)C3=O)C[C@@H]2C1 ZINC001262483175 1041700557 /nfs/dbraw/zinc/70/05/57/1041700557.db2.gz XWBUSUGKCDLMGC-WSTZPKSXSA-N 1 3 374.504 2.683 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)s2)C1)[NH+](CC)CC ZINC001215516402 1041810675 /nfs/dbraw/zinc/81/06/75/1041810675.db2.gz GOGREUHIQCESIP-XYPHTWIQSA-N 1 3 352.548 2.508 20 0 FFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1 ZINC001215536912 1041819055 /nfs/dbraw/zinc/81/90/55/1041819055.db2.gz ZHWFWNHNHOPSQN-SFHLNBCPSA-N 1 3 357.542 2.848 20 0 FFADHO COc1ccc(F)cc1CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216459428 1042030642 /nfs/dbraw/zinc/03/06/42/1042030642.db2.gz WGJNVYSXUSSEAK-CRAIPNDOSA-N 1 3 365.493 2.503 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001216490581 1042040036 /nfs/dbraw/zinc/04/00/36/1042040036.db2.gz FPDTVPOFKDBZBK-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(F)cc2F)C1 ZINC001216490581 1042040043 /nfs/dbraw/zinc/04/00/43/1042040043.db2.gz FPDTVPOFKDBZBK-RDTXWAMCSA-N 1 3 353.457 2.633 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2OC)C1 ZINC001216510998 1042044707 /nfs/dbraw/zinc/04/47/07/1042044707.db2.gz IFLBQUZBCMIBFR-RHSMWYFYSA-N 1 3 367.921 2.627 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001216511165 1042045296 /nfs/dbraw/zinc/04/52/96/1042045296.db2.gz KVHPGPYMNBAYBP-RHSMWYFYSA-N 1 3 353.457 2.903 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2OC)C1 ZINC001216511395 1042045316 /nfs/dbraw/zinc/04/53/16/1042045316.db2.gz QQMSABUWEWHZDZ-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2OC)C1 ZINC001216511395 1042045326 /nfs/dbraw/zinc/04/53/26/1042045326.db2.gz QQMSABUWEWHZDZ-IEBWSBKVSA-N 1 3 361.530 2.672 20 0 FFADHO Cc1ccc(NC(=O)c2ccc3c(c2)OCCNC3)c(OCC[NH+](C)C)c1 ZINC001263101662 1042104765 /nfs/dbraw/zinc/10/47/65/1042104765.db2.gz YTEKLKWIRTZKIT-UHFFFAOYSA-N 1 3 369.465 2.670 20 0 FFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CCC(F)(F)F ZINC001216828925 1042138386 /nfs/dbraw/zinc/13/83/86/1042138386.db2.gz OUEHLXLYCWWKHC-CZUORRHYSA-N 1 3 357.420 2.751 20 0 FFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C)c1 ZINC001216834094 1042140460 /nfs/dbraw/zinc/14/04/60/1042140460.db2.gz JDNAVXDIPKHPSB-YLJYHZDGSA-N 1 3 361.505 2.947 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001216845157 1042142615 /nfs/dbraw/zinc/14/26/15/1042142615.db2.gz ZVZIXNWLDGJNMY-NRSPTQNISA-N 1 3 357.542 2.930 20 0 FFADHO Cc1ncoc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001263900383 1042519813 /nfs/dbraw/zinc/51/98/13/1042519813.db2.gz DPUTUSPYRHYCIX-DLBZAZTESA-N 1 3 362.518 2.622 20 0 FFADHO Cc1ncoc1CN[C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001263900383 1042519817 /nfs/dbraw/zinc/51/98/17/1042519817.db2.gz DPUTUSPYRHYCIX-DLBZAZTESA-N 1 3 362.518 2.622 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1)N(C)C ZINC001263906568 1042523330 /nfs/dbraw/zinc/52/33/30/1042523330.db2.gz OXXBQVMBYGLNNT-GMBSWORKSA-N 1 3 367.484 2.926 20 0 FFADHO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001263919117 1042531715 /nfs/dbraw/zinc/53/17/15/1042531715.db2.gz GUXIQUNZICNKLO-NLWGTHIKSA-N 1 3 361.530 2.656 20 0 FFADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1ccns1 ZINC001264023872 1042587624 /nfs/dbraw/zinc/58/76/24/1042587624.db2.gz KQRFGPFWJOZOQZ-SJLPKXTDSA-N 1 3 366.575 2.980 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCc1ccccc1F)N(C)C ZINC001264553614 1042712911 /nfs/dbraw/zinc/71/29/11/1042712911.db2.gz UCANHIBKGQXYLE-IMFGXOCKSA-N 1 3 363.521 2.925 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264658442 1042775799 /nfs/dbraw/zinc/77/57/99/1042775799.db2.gz MORNLKKMLPSGCG-QYZOEREBSA-N 1 3 353.526 2.781 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001279115057 1042905145 /nfs/dbraw/zinc/90/51/45/1042905145.db2.gz CAEIWUIPZHGQII-GASCZTMLSA-N 1 3 355.935 2.634 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001279115057 1042905149 /nfs/dbraw/zinc/90/51/49/1042905149.db2.gz CAEIWUIPZHGQII-GASCZTMLSA-N 1 3 355.935 2.634 20 0 FFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(Br)cc1)CC2 ZINC001279143729 1042918082 /nfs/dbraw/zinc/91/80/82/1042918082.db2.gz YKNPDHGASADCKS-UHFFFAOYSA-N 1 3 366.347 2.909 20 0 FFADHO COc1cc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)ccc1O ZINC001279185142 1042936894 /nfs/dbraw/zinc/93/68/94/1042936894.db2.gz GZDGWGAMJGYQDO-VQTJNVASSA-N 1 3 356.470 2.849 20 0 FFADHO Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1C ZINC001279267330 1042974765 /nfs/dbraw/zinc/97/47/65/1042974765.db2.gz PDWIFPWEDOWALO-BGYRXZFFSA-N 1 3 357.542 2.844 20 0 FFADHO Cc1cc(C)c(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)cc1C ZINC001279267330 1042974766 /nfs/dbraw/zinc/97/47/66/1042974766.db2.gz PDWIFPWEDOWALO-BGYRXZFFSA-N 1 3 357.542 2.844 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cc4cc[nH]c4cn3)C2)C1 ZINC001279304576 1042992225 /nfs/dbraw/zinc/99/22/25/1042992225.db2.gz DTRULJDLMXINGH-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cc4cc[nH]c4cn3)C2)C1 ZINC001279304576 1042992227 /nfs/dbraw/zinc/99/22/27/1042992227.db2.gz DTRULJDLMXINGH-OAQYLSRUSA-N 1 3 355.530 2.803 20 0 FFADHO Nc1ccc(Cl)cc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279306544 1042993330 /nfs/dbraw/zinc/99/33/30/1042993330.db2.gz LZDYRRQQFUHJHI-UHFFFAOYSA-N 1 3 359.905 2.717 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2ncccc2C)CC3)n(C)n1 ZINC001279380085 1043039431 /nfs/dbraw/zinc/03/94/31/1043039431.db2.gz QLGCEANWJOSFQQ-UHFFFAOYSA-N 1 3 353.514 2.920 20 0 FFADHO Cc1nc(C)c(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)s1 ZINC001279387548 1043043465 /nfs/dbraw/zinc/04/34/65/1043043465.db2.gz QULFTRVRPDFKLI-IBGZPJMESA-N 1 3 350.576 3.000 20 0 FFADHO Cc1nc(C)c(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)s1 ZINC001279387548 1043043475 /nfs/dbraw/zinc/04/34/75/1043043475.db2.gz QULFTRVRPDFKLI-IBGZPJMESA-N 1 3 350.576 3.000 20 0 FFADHO c1n[nH]cc1CN1CCC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001279440604 1043114597 /nfs/dbraw/zinc/11/45/97/1043114597.db2.gz HCLIWPIHZMVHET-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)CCC12C[NH2+]C2 ZINC001237429746 1043154538 /nfs/dbraw/zinc/15/45/38/1043154538.db2.gz JEYAZPLBYZAWFN-HNNXBMFYSA-N 1 3 372.387 2.560 20 0 FFADHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2sncc2C)CC3)n(C)n1 ZINC001279483631 1043169492 /nfs/dbraw/zinc/16/94/92/1043169492.db2.gz FGFOOEOGVLMEMP-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1cccc(N)n1)CC2 ZINC001279495846 1043184466 /nfs/dbraw/zinc/18/44/66/1043184466.db2.gz CJGMDPFVVSTJPJ-UHFFFAOYSA-N 1 3 357.527 2.917 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cccc(N)n1)CC2 ZINC001279495846 1043184473 /nfs/dbraw/zinc/18/44/73/1043184473.db2.gz CJGMDPFVVSTJPJ-UHFFFAOYSA-N 1 3 357.527 2.917 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C[C@H]1CCC[N@H+](C)C1 ZINC001279501963 1043195917 /nfs/dbraw/zinc/19/59/17/1043195917.db2.gz LOYTUJMGXVFZOP-MHTWAQMVSA-N 1 3 351.579 2.930 20 0 FFADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C[C@H]1CCC[N@@H+](C)C1 ZINC001279501963 1043195919 /nfs/dbraw/zinc/19/59/19/1043195919.db2.gz LOYTUJMGXVFZOP-MHTWAQMVSA-N 1 3 351.579 2.930 20 0 FFADHO C[N@H+]1CC[C@H]2CN(Cc3cn4cc(Br)ccc4n3)C[C@H]2CC1 ZINC001279596615 1043315366 /nfs/dbraw/zinc/31/53/66/1043315366.db2.gz UNGNECRVHINSSF-OKILXGFUSA-N 1 3 363.303 2.870 20 0 FFADHO C[N@@H+]1CC[C@H]2CN(Cc3cn4cc(Br)ccc4n3)C[C@H]2CC1 ZINC001279596615 1043315372 /nfs/dbraw/zinc/31/53/72/1043315372.db2.gz UNGNECRVHINSSF-OKILXGFUSA-N 1 3 363.303 2.870 20 0 FFADHO C[NH+](C)CCN1C[C@@H]2CCN(CCc3cccc(Br)c3)[C@@H]2C1 ZINC001279623911 1043359127 /nfs/dbraw/zinc/35/91/27/1043359127.db2.gz FPEVXLGEBKVWRB-FUHWJXTLSA-N 1 3 366.347 2.559 20 0 FFADHO CC(C)C1=NCCc2ccc(CN3CCO[C@@H](C[NH+]4CCCC4)C3)cc21 ZINC001237879681 1043413605 /nfs/dbraw/zinc/41/36/05/1043413605.db2.gz OSJPRXPSEFYREX-FQEVSTJZSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H]1CN(c2ccc(CN3CCC4(CC[N@H+](C)C4)CC3)cn2)C[C@@H](C)O1 ZINC001279709538 1043510321 /nfs/dbraw/zinc/51/03/21/1043510321.db2.gz GPYUNAMVGTVFJM-QZTJIDSGSA-N 1 3 358.530 2.613 20 0 FFADHO C[C@@H]1CN(c2ccc(CN3CCC4(CC[N@@H+](C)C4)CC3)cn2)C[C@@H](C)O1 ZINC001279709538 1043510326 /nfs/dbraw/zinc/51/03/26/1043510326.db2.gz GPYUNAMVGTVFJM-QZTJIDSGSA-N 1 3 358.530 2.613 20 0 FFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc(OC)c(C)n3)(C1)CCC2 ZINC001279798053 1043660788 /nfs/dbraw/zinc/66/07/88/1043660788.db2.gz UCYCDRGDKWOYIB-UXHICEINSA-N 1 3 363.502 2.544 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3ccc(F)cc3F)(C1)C2 ZINC001279829984 1043733431 /nfs/dbraw/zinc/73/34/31/1043733431.db2.gz QOFSEMQDOHTAEH-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO Cc1noc2ccc(CN3CCC[C@@]4(CC[N@@H+](CCN(C)C)C4)C3)cc12 ZINC001279864192 1043794655 /nfs/dbraw/zinc/79/46/55/1043794655.db2.gz RKKNADJKVMRECY-NRFANRHFSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1noc2ccc(CN3CCC[C@@]4(CC[N@H+](CCN(C)C)C4)C3)cc12 ZINC001279864192 1043794665 /nfs/dbraw/zinc/79/46/65/1043794665.db2.gz RKKNADJKVMRECY-NRFANRHFSA-N 1 3 356.514 2.986 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)N1CCc2ccccc2C1 ZINC001311396190 1043906702 /nfs/dbraw/zinc/90/67/02/1043906702.db2.gz LGWLPKVXOJCZLB-UXHICEINSA-N 1 3 372.557 2.995 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)N1CCc2ccccc2C1 ZINC001311396190 1043906713 /nfs/dbraw/zinc/90/67/13/1043906713.db2.gz LGWLPKVXOJCZLB-UXHICEINSA-N 1 3 372.557 2.995 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)C2)cc1 ZINC001311879149 1043993957 /nfs/dbraw/zinc/99/39/57/1043993957.db2.gz XWQKVGFMBUVYON-SLFFLAALSA-N 1 3 358.530 2.741 20 0 FFADHO CN(C)CCN(C(=O)Oc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC001239339840 1044100615 /nfs/dbraw/zinc/10/06/15/1044100615.db2.gz AJHUBPSKNXYTEY-AWEZNQCLSA-N 1 3 370.291 2.564 20 0 FFADHO Cc1cc(Br)cc(C)c1NC(=S)NCCC[NH2+]CCCN ZINC001239396544 1044111665 /nfs/dbraw/zinc/11/16/65/1044111665.db2.gz ILOZFXVMQBBDQK-UHFFFAOYSA-N 1 3 373.364 2.681 20 0 FFADHO C[NH+](C)CCN1C[C@@H]2CCN(Cc3cccc(-c4cccs4)n3)[C@@H]2C1 ZINC001280079657 1044180107 /nfs/dbraw/zinc/18/01/07/1044180107.db2.gz HQRFXXIUGABIQC-QFBILLFUSA-N 1 3 356.539 2.878 20 0 FFADHO Cc1cc2cc(NC(=O)[C@]34C[C@H]3CCN4CC3CC[NH2+]CC3)ccc2[nH]1 ZINC001280138125 1044282139 /nfs/dbraw/zinc/28/21/39/1044282139.db2.gz SZGCCPLBCODNAV-UTKZUKDTSA-N 1 3 352.482 2.879 20 0 FFADHO CN1CCN(Cc2ccc(-c3cccc(CN4CC[C@@H]([NH3+])C4)c3)cc2)CC1 ZINC001240408256 1044332086 /nfs/dbraw/zinc/33/20/86/1044332086.db2.gz GCEDKVJWSYCCCA-HSZRJFAPSA-N 1 3 364.537 2.634 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001313858938 1044433101 /nfs/dbraw/zinc/43/31/01/1044433101.db2.gz CSSRNOJPPFBGHH-DLBZAZTESA-N 1 3 350.555 2.624 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCN3CCCc2ccccc2)CC1 ZINC001280278761 1044529475 /nfs/dbraw/zinc/52/94/75/1044529475.db2.gz RCWRRBLGVSHZEY-SIKLNZKXSA-N 1 3 355.526 2.636 20 0 FFADHO CCN1CCN(c2ccc(-c3cnc(N4CC[NH2+]CC4)c(C)c3)cc2)CC1 ZINC001241744570 1044585296 /nfs/dbraw/zinc/58/52/96/1044585296.db2.gz XDVXKAOIEMKKJV-UHFFFAOYSA-N 1 3 365.525 2.609 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1c1ccccc1)N(C)C ZINC001316720945 1044834225 /nfs/dbraw/zinc/83/42/25/1044834225.db2.gz ZWLSTMZCTSOIRB-NJYVYQBISA-N 1 3 357.542 2.957 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1c1ccccc1)N(C)C ZINC001316720945 1044834238 /nfs/dbraw/zinc/83/42/38/1044834238.db2.gz ZWLSTMZCTSOIRB-NJYVYQBISA-N 1 3 357.542 2.957 20 0 FFADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC001318763758 1044860142 /nfs/dbraw/zinc/86/01/42/1044860142.db2.gz CQYBBYZMLKLJBK-AWEZNQCLSA-N 1 3 365.468 2.743 20 0 FFADHO COc1cc(Cl)ccc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283611618 1046409155 /nfs/dbraw/zinc/40/91/55/1046409155.db2.gz HSDSGAWKHXSCJT-JJRVBVJISA-N 1 3 367.921 2.625 20 0 FFADHO COc1cc(Cl)ccc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283611618 1046409162 /nfs/dbraw/zinc/40/91/62/1046409162.db2.gz HSDSGAWKHXSCJT-JJRVBVJISA-N 1 3 367.921 2.625 20 0 FFADHO CC(C)C[NH2+]CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001326408331 1046918915 /nfs/dbraw/zinc/91/89/15/1046918915.db2.gz JDSZDYOQRZIJPQ-UHFFFAOYSA-N 1 3 367.921 2.545 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC001332499982 1048423484 /nfs/dbraw/zinc/42/34/84/1048423484.db2.gz PDTIKNKXZBLHHZ-FQEVSTJZSA-N 1 3 352.482 2.510 20 0 FFADHO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC001293470695 1049562887 /nfs/dbraw/zinc/56/28/87/1049562887.db2.gz OWEIOTBUAAVDGU-QIJUGHKUSA-N 1 3 365.521 2.969 20 0 FFADHO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)N(C)Cc1ccccc1 ZINC001293470695 1049562898 /nfs/dbraw/zinc/56/28/98/1049562898.db2.gz OWEIOTBUAAVDGU-QIJUGHKUSA-N 1 3 365.521 2.969 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001316653409 1049569498 /nfs/dbraw/zinc/56/94/98/1049569498.db2.gz ZAXMBODAROBLHO-KSZLIROESA-N 1 3 362.518 2.540 20 0 FFADHO Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001316653409 1049569508 /nfs/dbraw/zinc/56/95/08/1049569508.db2.gz ZAXMBODAROBLHO-KSZLIROESA-N 1 3 362.518 2.540 20 0 FFADHO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)s1 ZINC001316661207 1050112751 /nfs/dbraw/zinc/11/27/51/1050112751.db2.gz WORMQBYMZZSCAG-LZLYRXPVSA-N 1 3 366.575 2.721 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001341555906 1050183335 /nfs/dbraw/zinc/18/33/35/1050183335.db2.gz PTIDRNFWPNZFCY-DZFGPLHGSA-N 1 3 371.525 2.750 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)[NH+](C)C)cc1 ZINC001341658606 1050284404 /nfs/dbraw/zinc/28/44/04/1050284404.db2.gz IGKFUIFQNDAVIS-PZJWPPBQSA-N 1 3 364.493 2.765 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001340173683 1050579576 /nfs/dbraw/zinc/57/95/76/1050579576.db2.gz VHLPNIDENPFQKO-UIFIKXQLSA-N 1 3 371.525 2.893 20 0 FFADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1c(F)cccc1Cl ZINC001492027085 1050692022 /nfs/dbraw/zinc/69/20/22/1050692022.db2.gz KMJCRWRHNQLWPY-MGPQQGTHSA-N 1 3 355.885 2.804 20 0 FFADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1c(F)cccc1Cl ZINC001492027085 1050692028 /nfs/dbraw/zinc/69/20/28/1050692028.db2.gz KMJCRWRHNQLWPY-MGPQQGTHSA-N 1 3 355.885 2.804 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3C[C@H]3C3CCCC3)CC2)CC1 ZINC001340629583 1051007380 /nfs/dbraw/zinc/00/73/80/1051007380.db2.gz IQZWNZCHVDSZDY-XLIONFOSSA-N 1 3 362.562 2.671 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)Nc3cccc4c3C[NH2+]C4)CC2)c1 ZINC001342486142 1051086966 /nfs/dbraw/zinc/08/69/66/1051086966.db2.gz LVYDJSLPKBUIKN-UHFFFAOYSA-N 1 3 364.493 2.749 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])cc2)CC1 ZINC001341448321 1051804359 /nfs/dbraw/zinc/80/43/59/1051804359.db2.gz OAGYLCJGWFYHMS-SIKLNZKXSA-N 1 3 370.541 2.561 20 0 FFADHO CN1CCC[C@H](c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CC2CC2)C1 ZINC001345100569 1052256661 /nfs/dbraw/zinc/25/66/61/1052256661.db2.gz WMYYJZXGIMRRHY-RBUKOAKNSA-N 1 3 372.561 2.562 20 0 FFADHO COCC[C@@H](CNCC[C@H](C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC001308367336 1052451722 /nfs/dbraw/zinc/45/17/22/1052451722.db2.gz SKUYBFFMUKSYEL-IRXDYDNUSA-N 1 3 357.539 2.770 20 0 FFADHO COCC[C@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC001308478254 1052459518 /nfs/dbraw/zinc/45/95/18/1052459518.db2.gz FYLIOYIWPASCJB-QZTJIDSGSA-N 1 3 369.550 2.628 20 0 FFADHO COCC[C@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC001308478254 1052459522 /nfs/dbraw/zinc/45/95/22/1052459522.db2.gz FYLIOYIWPASCJB-QZTJIDSGSA-N 1 3 369.550 2.628 20 0 FFADHO COc1cc([C@@H](C)[NH2+][C@H]2CCN(C)C(C)(C)C2)ccc1S(C)(=O)=O ZINC001308552083 1052468753 /nfs/dbraw/zinc/46/87/53/1052468753.db2.gz PWOYPUCDKRDJKV-HIFRSBDPSA-N 1 3 354.516 2.622 20 0 FFADHO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C)C(C)(C)C2)ccc1S(C)(=O)=O ZINC001308552081 1052468775 /nfs/dbraw/zinc/46/87/75/1052468775.db2.gz PWOYPUCDKRDJKV-DZGCQCFKSA-N 1 3 354.516 2.622 20 0 FFADHO CC(C)(C)[C@]1(C[NH+]2CCC(CO)(CO)CC2)CCN(Cc2ccccc2)C1 ZINC001308931341 1052521155 /nfs/dbraw/zinc/52/11/55/1052521155.db2.gz QOXSGCBDLQTQOP-QHCPKHFHSA-N 1 3 374.569 2.992 20 0 FFADHO CC(C)(C)[C@]1(CN2CCC(CO)(CO)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001308931341 1052521160 /nfs/dbraw/zinc/52/11/60/1052521160.db2.gz QOXSGCBDLQTQOP-QHCPKHFHSA-N 1 3 374.569 2.992 20 0 FFADHO CC(C)(C)[C@]1(CN2CCC(CO)(CO)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308931341 1052521164 /nfs/dbraw/zinc/52/11/64/1052521164.db2.gz QOXSGCBDLQTQOP-QHCPKHFHSA-N 1 3 374.569 2.992 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CCCC3(CC[NH2+]CC3)C2)C(C)C)cc1 ZINC001346017740 1052708566 /nfs/dbraw/zinc/70/85/66/1052708566.db2.gz PAJGJBZXMSJOLF-OAQYLSRUSA-N 1 3 373.541 2.974 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC001349448384 1055267770 /nfs/dbraw/zinc/26/77/70/1055267770.db2.gz ZMVHPFBVTTXVCT-CEXWTWQISA-N 1 3 353.551 2.504 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC001349448384 1055267782 /nfs/dbraw/zinc/26/77/82/1055267782.db2.gz ZMVHPFBVTTXVCT-CEXWTWQISA-N 1 3 353.551 2.504 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@H](O)CC1(O)CCCC1)c1ccccc1O2 ZINC001338448836 1055524874 /nfs/dbraw/zinc/52/48/74/1055524874.db2.gz IQQFSQJWYDMYBM-IEBWSBKVSA-N 1 3 374.525 2.620 20 0 FFADHO Cn1nnc2cc(CNCc3ccc(OCCC[NH+](C)C)cc3)ccc21 ZINC001200106050 1055720102 /nfs/dbraw/zinc/72/01/02/1055720102.db2.gz SCYLXVBFBHLJNV-UHFFFAOYSA-N 1 3 353.470 2.589 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001513928148 1058675860 /nfs/dbraw/zinc/67/58/60/1058675860.db2.gz SMDYRNBVOQWWKX-UHFFFAOYSA-N 1 3 374.577 2.780 20 0 FFADHO CCc1nnc(N2CCN(C3CCCC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001513928040 1058675998 /nfs/dbraw/zinc/67/59/98/1058675998.db2.gz RKHNRZQCJSFKRM-UHFFFAOYSA-N 1 3 374.577 2.781 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001502250327 1058788482 /nfs/dbraw/zinc/78/84/82/1058788482.db2.gz WPMIGGPYKPZDKG-JYJNAYRXSA-N 1 3 374.533 2.716 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001502255203 1058796170 /nfs/dbraw/zinc/79/61/70/1058796170.db2.gz ICRSZALCAMOQHZ-MSOLQXFVSA-N 1 3 374.577 2.950 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4C[C@H](C)C[N@H+]4C3)C2)c1 ZINC001454310569 1059497886 /nfs/dbraw/zinc/49/78/86/1059497886.db2.gz HRPOCJRXCYJOMG-FYZZASKESA-N 1 3 355.526 2.806 20 0 FFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4C[C@H](C)C[N@@H+]4C3)C2)c1 ZINC001454310569 1059497892 /nfs/dbraw/zinc/49/78/92/1059497892.db2.gz HRPOCJRXCYJOMG-FYZZASKESA-N 1 3 355.526 2.806 20 0 FFADHO CC(C)CN1CCN(c2nnc(C3CC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001509423047 1060079163 /nfs/dbraw/zinc/07/91/63/1060079163.db2.gz ZRPDEMACGOWARC-UHFFFAOYSA-N 1 3 374.577 2.810 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C[N@@H+]2C1 ZINC001521238249 1060484061 /nfs/dbraw/zinc/48/40/61/1060484061.db2.gz WLQNYGSCPHXLHF-IMFGXOCKSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3cccc(CN4CCC(O)CC4)c3)C[N@H+]2C1 ZINC001521238249 1060484070 /nfs/dbraw/zinc/48/40/70/1060484070.db2.gz WLQNYGSCPHXLHF-IMFGXOCKSA-N 1 3 371.525 2.702 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC001547634865 1071980131 /nfs/dbraw/zinc/98/01/31/1071980131.db2.gz AOMGUQSRHSBSLJ-ZWOKBUDYSA-N 1 3 370.545 2.808 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001521496359 1060619402 /nfs/dbraw/zinc/61/94/02/1060619402.db2.gz UELWLRPDLRNNHI-LJQANCHMSA-N 1 3 365.562 2.552 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001521496357 1060620313 /nfs/dbraw/zinc/62/03/13/1060620313.db2.gz UELWLRPDLRNNHI-IBGZPJMESA-N 1 3 365.562 2.552 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)CCCCC2CC[NH2+]CC2)c2ccccc2O1 ZINC001521494951 1060620453 /nfs/dbraw/zinc/62/04/53/1060620453.db2.gz BFARRZRGJDLUNE-GOSISDBHSA-N 1 3 359.514 2.902 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC001461282861 1061277564 /nfs/dbraw/zinc/27/75/64/1061277564.db2.gz CNQWTNXMVKZDMC-LFUKPOHLSA-N 1 3 368.525 2.963 20 0 FFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cccc2c[nH]nc21 ZINC001461376520 1061305496 /nfs/dbraw/zinc/30/54/96/1061305496.db2.gz ACVDHRUQRQUUAR-FQEVSTJZSA-N 1 3 350.466 2.809 20 0 FFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cccc2c[nH]nc21 ZINC001461376520 1061305507 /nfs/dbraw/zinc/30/55/07/1061305507.db2.gz ACVDHRUQRQUUAR-FQEVSTJZSA-N 1 3 350.466 2.809 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CCC(C)([NH+](C)C)CC1)Cc1ccccc1 ZINC001477467427 1061708230 /nfs/dbraw/zinc/70/82/30/1061708230.db2.gz INNJKCAHZFVSEC-SCCNAQOGSA-N 1 3 360.546 2.721 20 0 FFADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001477928075 1061840814 /nfs/dbraw/zinc/84/08/14/1061840814.db2.gz RQAOUWVBWHCZCS-ZCNNSNEGSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001477928075 1061840821 /nfs/dbraw/zinc/84/08/21/1061840821.db2.gz RQAOUWVBWHCZCS-ZCNNSNEGSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCN1C ZINC001478236601 1061950324 /nfs/dbraw/zinc/95/03/24/1061950324.db2.gz WLISGWQAIJZZOC-ONCXSQPRSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCN1C ZINC001478236601 1061950347 /nfs/dbraw/zinc/95/03/47/1061950347.db2.gz WLISGWQAIJZZOC-ONCXSQPRSA-N 1 3 358.530 2.679 20 0 FFADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cccc3c2CNC3)cc1 ZINC001522494317 1062195890 /nfs/dbraw/zinc/19/58/90/1062195890.db2.gz CZGOXWYULSWTOT-DHZHZOJOSA-N 1 3 351.450 2.882 20 0 FFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001479115694 1062236661 /nfs/dbraw/zinc/23/66/61/1062236661.db2.gz YEDXSAHBIFYLQQ-CRAIPNDOSA-N 1 3 351.922 2.925 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1scnc1C ZINC001479581013 1062581130 /nfs/dbraw/zinc/58/11/30/1062581130.db2.gz NDRWNBKVFQKOGZ-ZBFHGGJFSA-N 1 3 352.548 2.510 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1scnc1C ZINC001479581013 1062581140 /nfs/dbraw/zinc/58/11/40/1062581140.db2.gz NDRWNBKVFQKOGZ-ZBFHGGJFSA-N 1 3 352.548 2.510 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@@H+]1CCOC(C)C ZINC001479647664 1062731419 /nfs/dbraw/zinc/73/14/19/1062731419.db2.gz YELFAYFGYNAOEU-IPMKNSEASA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@H+]1CCOC(C)C ZINC001479647664 1062731441 /nfs/dbraw/zinc/73/14/41/1062731441.db2.gz YELFAYFGYNAOEU-IPMKNSEASA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCN1CCOC(C)C ZINC001479647664 1062731461 /nfs/dbraw/zinc/73/14/61/1062731461.db2.gz YELFAYFGYNAOEU-IPMKNSEASA-N 1 3 353.551 2.501 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]2C)cc1 ZINC001479724072 1062935684 /nfs/dbraw/zinc/93/56/84/1062935684.db2.gz DAZIBSWOKCFTQF-QMMLZNLJSA-N 1 3 359.558 2.957 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]2C)cc1 ZINC001479724072 1062935703 /nfs/dbraw/zinc/93/57/03/1062935703.db2.gz DAZIBSWOKCFTQF-QMMLZNLJSA-N 1 3 359.558 2.957 20 0 FFADHO CCCN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC001469351271 1064132695 /nfs/dbraw/zinc/13/26/95/1064132695.db2.gz OSNCBWFXVOMXJF-SFTDATJTSA-N 1 3 357.542 2.884 20 0 FFADHO CCCN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC001469351271 1064132701 /nfs/dbraw/zinc/13/27/01/1064132701.db2.gz OSNCBWFXVOMXJF-SFTDATJTSA-N 1 3 357.542 2.884 20 0 FFADHO CC(C)C1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCN2CC=CCC2)CC1 ZINC001575507968 1078147407 /nfs/dbraw/zinc/14/74/07/1078147407.db2.gz NUMSEOZSZAYXSU-KDURUIRLSA-N 1 3 372.561 2.617 20 0 FFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)N(C)C)cc1 ZINC001575648197 1078160454 /nfs/dbraw/zinc/16/04/54/1078160454.db2.gz IWKJDTKBOIDDNN-NSISKUIASA-N 1 3 360.546 2.724 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC001472527534 1065088798 /nfs/dbraw/zinc/08/87/98/1065088798.db2.gz VSMYOHPMUDDINQ-HXUWFJFHSA-N 1 3 373.497 2.918 20 0 FFADHO C[C@H](NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)[C@@H](c1ccccc1)N(C)C ZINC001576201008 1078204573 /nfs/dbraw/zinc/20/45/73/1078204573.db2.gz PRLYDFYKNWMYQW-HFSMHLIXSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001576312360 1078214818 /nfs/dbraw/zinc/21/48/18/1078214818.db2.gz XSWCYYLEGKVEMN-XFIJJGBISA-N 1 3 356.514 2.653 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001576809178 1078277309 /nfs/dbraw/zinc/27/73/09/1078277309.db2.gz OYXGGUGMIJKHMU-GGPKGHCWSA-N 1 3 358.530 2.586 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2)nnc1N1CCCCCC1 ZINC001577535482 1078375098 /nfs/dbraw/zinc/37/50/98/1078375098.db2.gz CJZQKJIIBKOPRX-ROUUACIJSA-N 1 3 360.550 2.957 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2)nnc1N1CCCCCC1 ZINC001577535482 1078375100 /nfs/dbraw/zinc/37/51/00/1078375100.db2.gz CJZQKJIIBKOPRX-ROUUACIJSA-N 1 3 360.550 2.957 20 0 FFADHO CCc1ccc([C@@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N(C)CC)N(C)C)cc1 ZINC001578253835 1078456536 /nfs/dbraw/zinc/45/65/36/1078456536.db2.gz NPFZOHVFCIPIMY-CEXWTWQISA-N 1 3 370.545 2.804 20 0 FFADHO CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC001578408396 1078470296 /nfs/dbraw/zinc/47/02/96/1078470296.db2.gz KVQHFJYCWWYDKO-ZWKOTPCHSA-N 1 3 370.545 2.707 20 0 FFADHO CN(Cc1cccs1)c1nnc([C@@H]2CCC[NH2+]2)n1CCN1CCCCC1 ZINC001578498203 1078483750 /nfs/dbraw/zinc/48/37/50/1078483750.db2.gz ASHUVVAEILAKLO-KRWDZBQOSA-N 1 3 374.558 2.886 20 0 FFADHO COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CNCC[C@@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC001578789955 1078529491 /nfs/dbraw/zinc/52/94/91/1078529491.db2.gz QOAREGBMMVORBO-SLBIIXIFSA-N 1 3 360.473 2.696 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(Cc3ccc(F)cc3)CC2)cnn1C ZINC001579529133 1078639612 /nfs/dbraw/zinc/63/96/12/1078639612.db2.gz CXIJQCLVSZUAQA-LJQANCHMSA-N 1 3 358.505 2.940 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CNCc2ccccc21)[NH+](C)C ZINC001579788403 1078682515 /nfs/dbraw/zinc/68/25/15/1078682515.db2.gz ONVJCZJUGVKWMS-HBGVWJBISA-N 1 3 351.494 2.989 20 0 FFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC001580261625 1078776348 /nfs/dbraw/zinc/77/63/48/1078776348.db2.gz FFUHRVMYAFZFFQ-IUODEOHRSA-N 1 3 354.292 2.885 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCC(=O)Nc1cccc(Br)c1 ZINC001580261625 1078776353 /nfs/dbraw/zinc/77/63/53/1078776353.db2.gz FFUHRVMYAFZFFQ-IUODEOHRSA-N 1 3 354.292 2.885 20 0 FFADHO [NH3+]CCC[C@H](NCC(=O)Nc1cccc2nsnc21)c1ccccc1 ZINC001580289862 1078782130 /nfs/dbraw/zinc/78/21/30/1078782130.db2.gz UMVFTYUXCTWQIF-AWEZNQCLSA-N 1 3 355.467 2.700 20 0 FFADHO Cc1noc([C@@H]2OCC[C@H]2NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001549608516 1073938162 /nfs/dbraw/zinc/93/81/62/1073938162.db2.gz YLOKYEJFZUAAEI-RTBURBONSA-N 1 3 356.470 2.984 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC001550280288 1074196534 /nfs/dbraw/zinc/19/65/34/1074196534.db2.gz IRRARSALVXPLLC-LBFURVHYSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550287119 1074199288 /nfs/dbraw/zinc/19/92/88/1074199288.db2.gz DEZLITCWNAXZOL-XSLAUPDRSA-N 1 3 370.541 2.681 20 0 FFADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)n[nH]1 ZINC001550349486 1074222914 /nfs/dbraw/zinc/22/29/14/1074222914.db2.gz PDSVLCATMZVCLC-GEALJGNFSA-N 1 3 369.513 2.691 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cc(F)ccc3OC)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424156 1074264119 /nfs/dbraw/zinc/26/41/19/1074264119.db2.gz YQJHUKPKWBXWQM-BWPNAZKDSA-N 1 3 350.478 2.794 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cc(F)ccc3OC)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424156 1074264124 /nfs/dbraw/zinc/26/41/24/1074264124.db2.gz YQJHUKPKWBXWQM-BWPNAZKDSA-N 1 3 350.478 2.794 20 0 FFADHO COc1nccc2c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc21 ZINC001562923924 1074630856 /nfs/dbraw/zinc/63/08/56/1074630856.db2.gz VQIQONUCDKLXKW-HNNXBMFYSA-N 1 3 373.501 2.637 20 0 FFADHO COc1nccc2c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc21 ZINC001562923924 1074630859 /nfs/dbraw/zinc/63/08/59/1074630859.db2.gz VQIQONUCDKLXKW-HNNXBMFYSA-N 1 3 373.501 2.637 20 0 FFADHO [NH3+][C@@H]1CC12CCC(NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)CC2 ZINC001551551735 1074754436 /nfs/dbraw/zinc/75/44/36/1074754436.db2.gz FKGYALDTUJMVHF-KYBDOYODSA-N 1 3 356.514 2.783 20 0 FFADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C2 ZINC001552184231 1075012897 /nfs/dbraw/zinc/01/28/97/1075012897.db2.gz BRXPBGORUHHYRA-DYXWJJEUSA-N 1 3 356.514 2.594 20 0 FFADHO CN1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC001553199475 1075255611 /nfs/dbraw/zinc/25/56/11/1075255611.db2.gz CZHCLGRQKVMTDT-PFAUGDHASA-N 1 3 370.541 2.804 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC001553441015 1075309172 /nfs/dbraw/zinc/30/91/72/1075309172.db2.gz MTWDNLUJVOFDAO-VQTJNVASSA-N 1 3 370.541 2.607 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553448408 1075310879 /nfs/dbraw/zinc/31/08/79/1075310879.db2.gz MBHBRRCPHIGEQP-QHAWAJNXSA-N 1 3 370.541 2.997 20 0 FFADHO COCC[C@@H](CNCCC[NH+]1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001560251662 1076256751 /nfs/dbraw/zinc/25/67/51/1076256751.db2.gz YWLMZWJOXUAPHO-KRWDZBQOSA-N 1 3 357.539 2.628 20 0 FFADHO COCC[C@@H](C[NH2+]CCCN1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC001560251662 1076256753 /nfs/dbraw/zinc/25/67/53/1076256753.db2.gz YWLMZWJOXUAPHO-KRWDZBQOSA-N 1 3 357.539 2.628 20 0 FFADHO Cc1csc2nc(C)c(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)n12 ZINC001560925736 1076309924 /nfs/dbraw/zinc/30/99/24/1076309924.db2.gz SKCAUPBCIXRDSB-GOSISDBHSA-N 1 3 370.522 2.869 20 0 FFADHO Cc1csc2nc(C)c(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)n12 ZINC001560925736 1076309932 /nfs/dbraw/zinc/30/99/32/1076309932.db2.gz SKCAUPBCIXRDSB-GOSISDBHSA-N 1 3 370.522 2.869 20 0 FFADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001565426378 1076727588 /nfs/dbraw/zinc/72/75/88/1076727588.db2.gz BKNQEICWMSITPB-OALUTQOASA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001565426378 1076727593 /nfs/dbraw/zinc/72/75/93/1076727593.db2.gz BKNQEICWMSITPB-OALUTQOASA-N 1 3 358.530 2.777 20 0 FFADHO C[NH+](C)C1(C(=O)N2CCN(c3ccnc4ccccc43)CC2)CCCC1 ZINC001568946608 1077119952 /nfs/dbraw/zinc/11/99/52/1077119952.db2.gz QIGVRJSQVXBSPF-UHFFFAOYSA-N 1 3 352.482 2.758 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1)[NH+]1CCCCCC1 ZINC001570505732 1077211249 /nfs/dbraw/zinc/21/12/49/1077211249.db2.gz QYMJNOBSHFUUMT-TYPHKJRUSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)N1CCCCCC1 ZINC001570505732 1077211250 /nfs/dbraw/zinc/21/12/50/1077211250.db2.gz QYMJNOBSHFUUMT-TYPHKJRUSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)N1CCCCCC1 ZINC001570505732 1077211251 /nfs/dbraw/zinc/21/12/51/1077211251.db2.gz QYMJNOBSHFUUMT-TYPHKJRUSA-N 1 3 355.526 2.984 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422855884 513952871 /nfs/dbraw/zinc/95/28/71/513952871.db2.gz DCINWDFUFZAVHN-HOCLYGCPSA-N 1 3 368.319 2.676 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]1NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000423195749 514077343 /nfs/dbraw/zinc/07/73/43/514077343.db2.gz YGCFFZZPCGXUBB-SJORKVTESA-N 1 3 352.320 2.883 20 0 FFADHO N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423195749 514077336 /nfs/dbraw/zinc/07/73/36/514077336.db2.gz YGCFFZZPCGXUBB-SJORKVTESA-N 1 3 352.320 2.883 20 0 FFADHO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)s1 ZINC000092750664 250000495 /nfs/dbraw/zinc/00/04/95/250000495.db2.gz FWFQWYXUWORDAA-GDBMZVCRSA-N 1 3 367.559 2.792 20 0 FFADHO COC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093813812 250048524 /nfs/dbraw/zinc/04/85/24/250048524.db2.gz NIIKTALLOWCTSK-OAQYLSRUSA-N 1 3 359.514 2.602 20 0 FFADHO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093813812 250048529 /nfs/dbraw/zinc/04/85/29/250048529.db2.gz NIIKTALLOWCTSK-OAQYLSRUSA-N 1 3 359.514 2.602 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000103604278 250158667 /nfs/dbraw/zinc/15/86/67/250158667.db2.gz MRHULGNARKPNOZ-HXUWFJFHSA-N 1 3 358.530 2.807 20 0 FFADHO CS[C@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000117487625 250349110 /nfs/dbraw/zinc/34/91/10/250349110.db2.gz NALHJAFJSICVNP-AEFFLSMTSA-N 1 3 368.591 2.518 20 0 FFADHO CC(C)[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000117487593 250349262 /nfs/dbraw/zinc/34/92/62/250349262.db2.gz CKFLUUCHUQOHRY-IBGZPJMESA-N 1 3 350.551 2.765 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000268784184 251383792 /nfs/dbraw/zinc/38/37/92/251383792.db2.gz AMNPDPYJVDJMLM-GGAORHGYSA-N 1 3 372.601 2.904 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272443237 252039076 /nfs/dbraw/zinc/03/90/76/252039076.db2.gz FCCGQOWRBDPYTQ-JBACZVJFSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272443237 252039079 /nfs/dbraw/zinc/03/90/79/252039079.db2.gz FCCGQOWRBDPYTQ-JBACZVJFSA-N 1 3 368.525 2.553 20 0 FFADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(C(=O)OC)CCC1 ZINC000272485609 252048894 /nfs/dbraw/zinc/04/88/94/252048894.db2.gz JVOUFTKKXFGBKF-HXUWFJFHSA-N 1 3 374.525 2.855 20 0 FFADHO Cc1cc(NC(=O)CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)no1 ZINC000285735476 257001790 /nfs/dbraw/zinc/00/17/90/257001790.db2.gz XUOZKUONDTXRPQ-NRFANRHFSA-N 1 3 368.481 2.910 20 0 FFADHO Cc1cc(NC(=O)CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)no1 ZINC000285735476 257001791 /nfs/dbraw/zinc/00/17/91/257001791.db2.gz XUOZKUONDTXRPQ-NRFANRHFSA-N 1 3 368.481 2.910 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000278393664 256307308 /nfs/dbraw/zinc/30/73/08/256307308.db2.gz AVRHETIJSKIZCJ-NRFANRHFSA-N 1 3 355.526 2.984 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000278393664 256307310 /nfs/dbraw/zinc/30/73/10/256307310.db2.gz AVRHETIJSKIZCJ-NRFANRHFSA-N 1 3 355.526 2.984 20 0 FFADHO COCc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000278455394 256314957 /nfs/dbraw/zinc/31/49/57/256314957.db2.gz ITDHOCKHXAECOG-DLBZAZTESA-N 1 3 350.503 2.993 20 0 FFADHO COCc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000278455394 256314958 /nfs/dbraw/zinc/31/49/58/256314958.db2.gz ITDHOCKHXAECOG-DLBZAZTESA-N 1 3 350.503 2.993 20 0 FFADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000278789719 256348326 /nfs/dbraw/zinc/34/83/26/256348326.db2.gz XZIJVZYBHYYIGH-QGZVFWFLSA-N 1 3 374.529 2.508 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccco1 ZINC000286792017 257055498 /nfs/dbraw/zinc/05/54/98/257055498.db2.gz RYSDQNSLNUOVAQ-DLBZAZTESA-N 1 3 350.507 2.616 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287964380 257133786 /nfs/dbraw/zinc/13/37/86/257133786.db2.gz YYKRITWKQGQEGE-VDGAXYAQSA-N 1 3 368.949 2.970 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287964380 257133787 /nfs/dbraw/zinc/13/37/87/257133787.db2.gz YYKRITWKQGQEGE-VDGAXYAQSA-N 1 3 368.949 2.970 20 0 FFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288362217 257179931 /nfs/dbraw/zinc/17/99/31/257179931.db2.gz KLBFZGOYSUUYCK-PXNSSMCTSA-N 1 3 371.529 2.566 20 0 FFADHO C[N@H+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)Cc1ccccc1 ZINC000289033796 257249964 /nfs/dbraw/zinc/24/99/64/257249964.db2.gz HEOAJJQODBOYHZ-UXHICEINSA-N 1 3 366.461 2.929 20 0 FFADHO C[N@@H+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)Cc1ccccc1 ZINC000289033796 257249965 /nfs/dbraw/zinc/24/99/65/257249965.db2.gz HEOAJJQODBOYHZ-UXHICEINSA-N 1 3 366.461 2.929 20 0 FFADHO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290171988 257318744 /nfs/dbraw/zinc/31/87/44/257318744.db2.gz DUUFVPPEFUIVHH-HKBKIPCKSA-N 1 3 352.478 2.981 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccnn1CCN(C)C)c1ccccc1 ZINC000297585271 257845208 /nfs/dbraw/zinc/84/52/08/257845208.db2.gz YWTAUHVPUGSKDK-INIZCTEOSA-N 1 3 372.517 2.696 20 0 FFADHO C[C@@H]1C[C@H](Nc2cc(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)ncn2)CN1C1CC1 ZINC000329722882 258145833 /nfs/dbraw/zinc/14/58/33/258145833.db2.gz NNNLMDIVGKXZOI-WCVJEAGWSA-N 1 3 356.518 2.551 20 0 FFADHO C[C@@H]1C[C@H](Nc2cc(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)ncn2)CN1C1CC1 ZINC000329722882 258145834 /nfs/dbraw/zinc/14/58/34/258145834.db2.gz NNNLMDIVGKXZOI-WCVJEAGWSA-N 1 3 356.518 2.551 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCCN(C)CC1 ZINC000410392568 512252937 /nfs/dbraw/zinc/25/29/37/512252937.db2.gz LHNPRSHTZXAFDC-SFHVURJKSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCN(C)CC1 ZINC000410392568 512252942 /nfs/dbraw/zinc/25/29/42/512252942.db2.gz LHNPRSHTZXAFDC-SFHVURJKSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@H]1COCCN1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000369189732 512275089 /nfs/dbraw/zinc/27/50/89/512275089.db2.gz SYOPOTCFELCGDO-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1COCCN1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000369189732 512275093 /nfs/dbraw/zinc/27/50/93/512275093.db2.gz SYOPOTCFELCGDO-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1COCCN1CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000369189732 512275096 /nfs/dbraw/zinc/27/50/96/512275096.db2.gz SYOPOTCFELCGDO-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO C[C@H]1COCCN1CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000369189732 512275099 /nfs/dbraw/zinc/27/50/99/512275099.db2.gz SYOPOTCFELCGDO-RBBKRZOGSA-N 1 3 357.542 2.695 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000066196279 506445759 /nfs/dbraw/zinc/44/57/59/506445759.db2.gz DLQXYBNAPMTOPT-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000066196279 506445767 /nfs/dbraw/zinc/44/57/67/506445767.db2.gz DLQXYBNAPMTOPT-MRXNPFEDSA-N 1 3 352.498 2.629 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000054510336 506571313 /nfs/dbraw/zinc/57/13/13/506571313.db2.gz OAAHWECCIMFANY-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000054510336 506571319 /nfs/dbraw/zinc/57/13/19/506571319.db2.gz OAAHWECCIMFANY-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO COc1cc(OC)c(OC)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000067453038 506886797 /nfs/dbraw/zinc/88/67/97/506886797.db2.gz QZZWDTZVRFPFEF-IYBDPMFKSA-N 1 3 366.502 2.691 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000046373250 507126612 /nfs/dbraw/zinc/12/66/12/507126612.db2.gz JBCAKCDAEKUWAP-SFHVURJKSA-N 1 3 358.530 2.608 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000046373250 507126618 /nfs/dbraw/zinc/12/66/18/507126618.db2.gz JBCAKCDAEKUWAP-SFHVURJKSA-N 1 3 358.530 2.608 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068203686 507148081 /nfs/dbraw/zinc/14/80/81/507148081.db2.gz CNWKAWBZALTVBD-MISYRCLQSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068203686 507148087 /nfs/dbraw/zinc/14/80/87/507148087.db2.gz CNWKAWBZALTVBD-MISYRCLQSA-N 1 3 359.489 2.781 20 0 FFADHO O=C(CN1CCC[C@@H]1CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000068299299 507177954 /nfs/dbraw/zinc/17/79/54/507177954.db2.gz SMXYIOMSYWIRLL-HXUWFJFHSA-N 1 3 355.526 2.827 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000047105576 507265743 /nfs/dbraw/zinc/26/57/43/507265743.db2.gz BELHPSXCCXULRX-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCCN(Cc2ccccc2)CC1 ZINC000047105576 507265750 /nfs/dbraw/zinc/26/57/50/507265750.db2.gz BELHPSXCCXULRX-WOJBJXKFSA-N 1 3 356.514 2.531 20 0 FFADHO CC[NH+](CC)CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000068563809 507272933 /nfs/dbraw/zinc/27/29/33/507272933.db2.gz GAGQNGVRMZILJK-UHFFFAOYSA-N 1 3 354.926 2.755 20 0 FFADHO CN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000057632434 507296230 /nfs/dbraw/zinc/29/62/30/507296230.db2.gz UMZNOTAIPIPCBA-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO CC(C)(CNC(=O)NC1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000048395280 507517341 /nfs/dbraw/zinc/51/73/41/507517341.db2.gz FXHTZAYLBUIPQM-UHFFFAOYSA-N 1 3 370.541 2.749 20 0 FFADHO Cc1[nH]c2ccccc2c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050800231 507714122 /nfs/dbraw/zinc/71/41/22/507714122.db2.gz GQNGQBZSVRLZSN-UHFFFAOYSA-N 1 3 354.498 2.765 20 0 FFADHO Cc1ccc(C[C@@H]2CCCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000051063267 507734952 /nfs/dbraw/zinc/73/49/52/507734952.db2.gz CKBMJNNDJSJIKK-FQEVSTJZSA-N 1 3 369.553 2.993 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000051299491 507759759 /nfs/dbraw/zinc/75/97/59/507759759.db2.gz UKDWZYXZBDYOEY-VQTJNVASSA-N 1 3 374.504 2.539 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3CCCCC3)CC2)CC1 ZINC000051760255 507783677 /nfs/dbraw/zinc/78/36/77/507783677.db2.gz VQTSRURLLPGPGW-UHFFFAOYSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc(OCCN(C)C)c1 ZINC000089546020 507846492 /nfs/dbraw/zinc/84/64/92/507846492.db2.gz YYNASIWBVFMYIT-MRXNPFEDSA-N 1 3 355.482 2.619 20 0 FFADHO C[NH+](C)CCCOc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000107386164 507848885 /nfs/dbraw/zinc/84/88/85/507848885.db2.gz BGGHKFVNPSYEMD-UHFFFAOYSA-N 1 3 360.502 2.765 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000072955521 507876421 /nfs/dbraw/zinc/87/64/21/507876421.db2.gz STQYNVJDLFTTFR-FUHWJXTLSA-N 1 3 358.530 2.843 20 0 FFADHO COc1cc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1F ZINC000090038609 507903802 /nfs/dbraw/zinc/90/38/02/507903802.db2.gz JVDOHKATNMFCMF-OAHLLOKOSA-N 1 3 373.472 2.977 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079225214 507946769 /nfs/dbraw/zinc/94/67/69/507946769.db2.gz DMOGLYRSQHWDBU-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000079633747 507985286 /nfs/dbraw/zinc/98/52/86/507985286.db2.gz ASPYIKZSGKEYDV-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000074316938 508011018 /nfs/dbraw/zinc/01/10/18/508011018.db2.gz DLKGSGVDFJQAAD-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000074316938 508011022 /nfs/dbraw/zinc/01/10/22/508011022.db2.gz DLKGSGVDFJQAAD-RTWAWAEBSA-N 1 3 355.526 2.841 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074833100 508059601 /nfs/dbraw/zinc/05/96/01/508059601.db2.gz IMWLVTAVEYUVNY-LEWJYISDSA-N 1 3 372.557 2.533 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074833100 508059604 /nfs/dbraw/zinc/05/96/04/508059604.db2.gz IMWLVTAVEYUVNY-LEWJYISDSA-N 1 3 372.557 2.533 20 0 FFADHO C[C@H](CNCc1c(Cl)cccc1N1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000092389899 508067354 /nfs/dbraw/zinc/06/73/54/508067354.db2.gz DBCZCBRSFBHAHQ-OAHLLOKOSA-N 1 3 350.938 2.664 20 0 FFADHO C[C@H](CNCc1c(Cl)cccc1N1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000092389899 508067355 /nfs/dbraw/zinc/06/73/55/508067355.db2.gz DBCZCBRSFBHAHQ-OAHLLOKOSA-N 1 3 350.938 2.664 20 0 FFADHO CN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080665872 508093500 /nfs/dbraw/zinc/09/35/00/508093500.db2.gz CJAXRCKDBXZDTP-OAQYLSRUSA-N 1 3 370.541 2.919 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000111439930 508098936 /nfs/dbraw/zinc/09/89/36/508098936.db2.gz YSTNGVKXTVJISU-HXUWFJFHSA-N 1 3 358.530 2.997 20 0 FFADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000111509799 508105952 /nfs/dbraw/zinc/10/59/52/508105952.db2.gz AZQWWPWBDCYPBY-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)CC2CCOCC2)CC1 ZINC000111693499 508116248 /nfs/dbraw/zinc/11/62/48/508116248.db2.gz XCQHMTVVIKRLKX-UHFFFAOYSA-N 1 3 373.541 2.516 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000076421475 508204154 /nfs/dbraw/zinc/20/41/54/508204154.db2.gz KFSNPPLFSLDRBT-FQEVSTJZSA-N 1 3 360.546 2.927 20 0 FFADHO CN1CCC2(CCCN2C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000371412423 512385396 /nfs/dbraw/zinc/38/53/96/512385396.db2.gz GKJUXPASVQUROI-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CN1CCC2(CCCN2C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000371412423 512385400 /nfs/dbraw/zinc/38/54/00/512385400.db2.gz GKJUXPASVQUROI-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000077202912 508286969 /nfs/dbraw/zinc/28/69/69/508286969.db2.gz AISYLJDQIQORMZ-INIZCTEOSA-N 1 3 364.559 2.740 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103212148 508302150 /nfs/dbraw/zinc/30/21/50/508302150.db2.gz PARBSQVVAIOZSO-SJORKVTESA-N 1 3 371.447 2.761 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)o1 ZINC000085422740 508307778 /nfs/dbraw/zinc/30/77/78/508307778.db2.gz SFILOABYJOVQMY-MRXNPFEDSA-N 1 3 352.523 2.638 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)N1CCc2ccccc2C1 ZINC000105126156 508362444 /nfs/dbraw/zinc/36/24/44/508362444.db2.gz KQFHNBSKNZUNNS-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)N1CCc2ccccc2C1 ZINC000105126156 508362446 /nfs/dbraw/zinc/36/24/46/508362446.db2.gz KQFHNBSKNZUNNS-GHTZIAJQSA-N 1 3 372.557 2.854 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000077789666 508374852 /nfs/dbraw/zinc/37/48/52/508374852.db2.gz VDHAJJQSFNJTRU-GOSISDBHSA-N 1 3 358.530 2.956 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152443937 508447712 /nfs/dbraw/zinc/44/77/12/508447712.db2.gz OWLVTLVQHHSDTL-LSDHHAIUSA-N 1 3 351.516 2.583 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152443937 508447714 /nfs/dbraw/zinc/44/77/14/508447714.db2.gz OWLVTLVQHHSDTL-LSDHHAIUSA-N 1 3 351.516 2.583 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133799681 508451597 /nfs/dbraw/zinc/45/15/97/508451597.db2.gz XCQDEOWYKYZMMD-ROUUACIJSA-N 1 3 373.545 2.781 20 0 FFADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000122115115 508483519 /nfs/dbraw/zinc/48/35/19/508483519.db2.gz KMBOQCPYASQFOB-SFHVURJKSA-N 1 3 367.578 2.894 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000122115115 508483524 /nfs/dbraw/zinc/48/35/24/508483524.db2.gz KMBOQCPYASQFOB-SFHVURJKSA-N 1 3 367.578 2.894 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](N4CC=CC4)C3)CC2)CC1 ZINC000152709627 508498656 /nfs/dbraw/zinc/49/86/56/508498656.db2.gz IPVJHEVNAMAPOJ-MHJFOBGBSA-N 1 3 360.546 2.685 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000116531944 508526044 /nfs/dbraw/zinc/52/60/44/508526044.db2.gz SALKPEIWXAQFEA-MSOLQXFVSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000116531944 508526049 /nfs/dbraw/zinc/52/60/49/508526049.db2.gz SALKPEIWXAQFEA-MSOLQXFVSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153351078 508574520 /nfs/dbraw/zinc/57/45/20/508574520.db2.gz BPQCRPQKLNLWKM-YSIASYRMSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153351078 508574524 /nfs/dbraw/zinc/57/45/24/508574524.db2.gz BPQCRPQKLNLWKM-YSIASYRMSA-N 1 3 355.526 2.888 20 0 FFADHO COc1ccccc1COC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918600 508574946 /nfs/dbraw/zinc/57/49/46/508574946.db2.gz BRQYZGAVKGAUBX-DUXKGJEZSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccccc1COC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918600 508574950 /nfs/dbraw/zinc/57/49/50/508574950.db2.gz BRQYZGAVKGAUBX-DUXKGJEZSA-N 1 3 374.525 2.521 20 0 FFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157542828 508579449 /nfs/dbraw/zinc/57/94/49/508579449.db2.gz GTOLGCWCXOECAC-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](C1CC1)n1nccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000123209484 508652572 /nfs/dbraw/zinc/65/25/72/508652572.db2.gz JDHGOQYFUIHBHS-OAHLLOKOSA-N 1 3 374.533 2.534 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000158186550 508668775 /nfs/dbraw/zinc/66/87/75/508668775.db2.gz PBRSHDZNMOHHAX-LEWJYISDSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000158186550 508668777 /nfs/dbraw/zinc/66/87/77/508668777.db2.gz PBRSHDZNMOHHAX-LEWJYISDSA-N 1 3 372.557 2.928 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)CC1 ZINC000118755225 508669926 /nfs/dbraw/zinc/66/99/26/508669926.db2.gz SEJZAXFAHHLPGG-UHFFFAOYSA-N 1 3 360.546 2.677 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000119111876 508728226 /nfs/dbraw/zinc/72/82/26/508728226.db2.gz YIOGCOAGYWISKO-CTWPCTMYSA-N 1 3 350.551 2.767 20 0 FFADHO Cc1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)ccc1OCCN1CCCC1 ZINC000137255373 508747052 /nfs/dbraw/zinc/74/70/52/508747052.db2.gz WLQXUBLUIIWBQQ-SFHVURJKSA-N 1 3 357.498 2.798 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000129765541 508764161 /nfs/dbraw/zinc/76/41/61/508764161.db2.gz XBRUCMDOWCZXIW-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158886690 508764215 /nfs/dbraw/zinc/76/42/15/508764215.db2.gz APTHOYGFRNDZMU-RDJZCZTQSA-N 1 3 359.514 2.660 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1 ZINC000154465452 508790496 /nfs/dbraw/zinc/79/04/96/508790496.db2.gz ZPUNFUOAAPDBIU-QGZVFWFLSA-N 1 3 372.557 2.985 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000140009039 508798694 /nfs/dbraw/zinc/79/86/94/508798694.db2.gz NVXIBJIISRWIDE-LJQANCHMSA-N 1 3 357.523 2.646 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000154630874 508822311 /nfs/dbraw/zinc/82/23/11/508822311.db2.gz OPDDLFGIHNBICD-KRWDZBQOSA-N 1 3 362.518 2.789 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000154630874 508822314 /nfs/dbraw/zinc/82/23/14/508822314.db2.gz OPDDLFGIHNBICD-KRWDZBQOSA-N 1 3 362.518 2.789 20 0 FFADHO CN(c1ccccc1CN1CCN(CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000130666563 508829160 /nfs/dbraw/zinc/82/91/60/508829160.db2.gz PSSNUHRJDWULOJ-UHFFFAOYSA-N 1 3 356.558 2.745 20 0 FFADHO Cc1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c(OCCN(C)C)c1 ZINC000154666219 508830053 /nfs/dbraw/zinc/83/00/53/508830053.db2.gz NQTWMJBPGINCON-UHFFFAOYSA-N 1 3 362.518 2.930 20 0 FFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000154669616 508830649 /nfs/dbraw/zinc/83/06/49/508830649.db2.gz RCHBHWMHSJKHPN-SUNKGSAMSA-N 1 3 355.276 2.996 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000131347978 508919663 /nfs/dbraw/zinc/91/96/63/508919663.db2.gz CNVGMOAJDXLDEN-UHFFFAOYSA-N 1 3 362.518 2.965 20 0 FFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000150953690 508930263 /nfs/dbraw/zinc/93/02/63/508930263.db2.gz KOEWXDTXRUXORX-INIZCTEOSA-N 1 3 373.545 2.647 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCC(C)(C)C[NH+](C)C)c1 ZINC000120421887 508992454 /nfs/dbraw/zinc/99/24/54/508992454.db2.gz AFORIPVUTZKRLZ-CQSZACIVSA-N 1 3 351.491 2.598 20 0 FFADHO C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)C1CC1 ZINC000125627468 509008719 /nfs/dbraw/zinc/00/87/19/509008719.db2.gz JJKNDNDITPVXBH-MUYFXNHWSA-N 1 3 350.551 2.811 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000125802791 509031825 /nfs/dbraw/zinc/03/18/25/509031825.db2.gz YPDSCCKUFNTDCX-GGPKGHCWSA-N 1 3 358.530 2.538 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000155608731 509036728 /nfs/dbraw/zinc/03/67/28/509036728.db2.gz ZWZQKBDVWKJGMZ-CABCVRRESA-N 1 3 371.472 2.973 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CN1Cc1ccccc1 ZINC000120902216 509086721 /nfs/dbraw/zinc/08/67/21/509086721.db2.gz TYHPZZVIRXDAHM-AYWYSENESA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CN1Cc1ccccc1 ZINC000120902216 509086724 /nfs/dbraw/zinc/08/67/24/509086724.db2.gz TYHPZZVIRXDAHM-AYWYSENESA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCCO2 ZINC000132884108 509087091 /nfs/dbraw/zinc/08/70/91/509087091.db2.gz KWGJUPCVQCHKJU-VQIMIIECSA-N 1 3 360.498 2.999 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@H]21 ZINC000247962007 509201843 /nfs/dbraw/zinc/20/18/43/509201843.db2.gz GJIGWHFRTMCJAV-SFHLNBCPSA-N 1 3 373.516 2.980 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@H]21 ZINC000247962007 509201847 /nfs/dbraw/zinc/20/18/47/509201847.db2.gz GJIGWHFRTMCJAV-SFHLNBCPSA-N 1 3 373.516 2.980 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000221837665 509309934 /nfs/dbraw/zinc/30/99/34/509309934.db2.gz QNKIETRUBYDPNI-QWFCFKBJSA-N 1 3 360.546 2.579 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000221837665 509309940 /nfs/dbraw/zinc/30/99/40/509309940.db2.gz QNKIETRUBYDPNI-QWFCFKBJSA-N 1 3 360.546 2.579 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000248533736 509352917 /nfs/dbraw/zinc/35/29/17/509352917.db2.gz IRNXELVWTVHFTC-AZUAARDMSA-N 1 3 358.530 2.538 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000248533736 509352918 /nfs/dbraw/zinc/35/29/18/509352918.db2.gz IRNXELVWTVHFTC-AZUAARDMSA-N 1 3 358.530 2.538 20 0 FFADHO CCN(CC)CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267223274 509399811 /nfs/dbraw/zinc/39/98/11/509399811.db2.gz HRESRBAQBDEKNL-UHFFFAOYSA-N 1 3 361.530 2.516 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CN1C1CC1 ZINC000163935123 509442834 /nfs/dbraw/zinc/44/28/34/509442834.db2.gz HLCFBTCXMMITDU-IRLDBZIGSA-N 1 3 370.585 2.799 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000267320609 509446113 /nfs/dbraw/zinc/44/61/13/509446113.db2.gz KDYFHCFVATUUIA-QFUCXCTJSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000267320609 509446123 /nfs/dbraw/zinc/44/61/23/509446123.db2.gz KDYFHCFVATUUIA-QFUCXCTJSA-N 1 3 370.541 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267351718 509460187 /nfs/dbraw/zinc/46/01/87/509460187.db2.gz PMMHXRSCDMHFNF-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267351718 509460193 /nfs/dbraw/zinc/46/01/93/509460193.db2.gz PMMHXRSCDMHFNF-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248777040 509479141 /nfs/dbraw/zinc/47/91/41/509479141.db2.gz ZBXDYRIQSUROMN-KZNAEPCWSA-N 1 3 369.550 2.722 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248781145 509481455 /nfs/dbraw/zinc/48/14/55/509481455.db2.gz HZGCBUSCPBAGCE-TYPHKJRUSA-N 1 3 372.557 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248781145 509481461 /nfs/dbraw/zinc/48/14/61/509481461.db2.gz HZGCBUSCPBAGCE-TYPHKJRUSA-N 1 3 372.557 2.784 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182901484 509484999 /nfs/dbraw/zinc/48/49/99/509484999.db2.gz PSTPQFRCFSONOV-ROUUACIJSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H](NC(=O)N1CCN(C2CCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182901484 509485005 /nfs/dbraw/zinc/48/50/05/509485005.db2.gz PSTPQFRCFSONOV-ROUUACIJSA-N 1 3 362.562 2.909 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000236881031 509522762 /nfs/dbraw/zinc/52/27/62/509522762.db2.gz FRFYTNOEVXGKTB-GDBMZVCRSA-N 1 3 357.420 2.814 20 0 FFADHO CN(C)CC[NH+]1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192467804 509531288 /nfs/dbraw/zinc/53/12/88/509531288.db2.gz HWZGOUZEHXOIDT-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO C[NH+](C)CCN1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192467804 509531292 /nfs/dbraw/zinc/53/12/92/509531292.db2.gz HWZGOUZEHXOIDT-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000164844811 509538872 /nfs/dbraw/zinc/53/88/72/509538872.db2.gz ZPXBUMQARZBHQU-UEXGIBASSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000164844811 509538881 /nfs/dbraw/zinc/53/88/81/509538881.db2.gz ZPXBUMQARZBHQU-UEXGIBASSA-N 1 3 373.541 2.549 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)Cc1ccccc1 ZINC000164917419 509545003 /nfs/dbraw/zinc/54/50/03/509545003.db2.gz QJBHPHYPVRMEIH-RTWAWAEBSA-N 1 3 353.510 2.626 20 0 FFADHO CCN1CCN(c2ccc(C(=O)Nc3cccc(C[NH2+]C)c3)cc2)CC1 ZINC000236998300 509548505 /nfs/dbraw/zinc/54/85/05/509548505.db2.gz RXFWSCGKRNJDKJ-UHFFFAOYSA-N 1 3 352.482 2.800 20 0 FFADHO FC(F)CN1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000165312693 509567344 /nfs/dbraw/zinc/56/73/44/509567344.db2.gz VNJMNXACSSIJRT-GOSISDBHSA-N 1 3 351.485 2.870 20 0 FFADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(N)CCCCC3)cc2F)CC1 ZINC000237087344 509568959 /nfs/dbraw/zinc/56/89/59/509568959.db2.gz UUYKOKWJGPYFSH-UHFFFAOYSA-N 1 3 362.493 2.956 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000237288012 509613461 /nfs/dbraw/zinc/61/34/61/509613461.db2.gz SMZHUYPKFYIAPJ-RBUKOAKNSA-N 1 3 359.514 2.541 20 0 FFADHO C[C@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000237448589 509650420 /nfs/dbraw/zinc/65/04/20/509650420.db2.gz QWDMHVQRIHHDOI-LAUBAEHRSA-N 1 3 369.509 2.969 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000192848681 509670556 /nfs/dbraw/zinc/67/05/56/509670556.db2.gz LKXUHYXUUAAPQS-UXHICEINSA-N 1 3 367.484 2.801 20 0 FFADHO C[C@H]1CN(CCC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605435 509689171 /nfs/dbraw/zinc/68/91/71/509689171.db2.gz ZFBZQXXEHYYOAJ-ROUUACIJSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc2)CC1 ZINC000173641688 509693196 /nfs/dbraw/zinc/69/31/96/509693196.db2.gz VOQKWKFIDMSKQX-HXUWFJFHSA-N 1 3 374.573 2.925 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000264820039 509722278 /nfs/dbraw/zinc/72/22/78/509722278.db2.gz GDOHIDAUYLJSCX-SFHVURJKSA-N 1 3 369.553 2.856 20 0 FFADHO [NH3+]C[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000237878553 509760127 /nfs/dbraw/zinc/76/01/27/509760127.db2.gz VGOMPUJZSVTSRI-AEFFLSMTSA-N 1 3 369.431 2.638 20 0 FFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000249788695 509764910 /nfs/dbraw/zinc/76/49/10/509764910.db2.gz SXNCGZUQWRYEAB-ROUUACIJSA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+](CC)CCCN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000170794220 509779704 /nfs/dbraw/zinc/77/97/04/509779704.db2.gz SESWNNAMXKDCOH-OAQYLSRUSA-N 1 3 373.589 2.648 20 0 FFADHO C[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000250418529 509796544 /nfs/dbraw/zinc/79/65/44/509796544.db2.gz BUEFZURIGNZAJU-JTDSTZFVSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000250418524 509797457 /nfs/dbraw/zinc/79/74/57/509797457.db2.gz BUEFZURIGNZAJU-GJYPPUQNSA-N 1 3 350.551 2.669 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000251644848 509814967 /nfs/dbraw/zinc/81/49/67/509814967.db2.gz IJRSZTBTOFBHRY-PMACEKPBSA-N 1 3 360.546 2.736 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)N(C)C)cc1 ZINC000252652716 509856724 /nfs/dbraw/zinc/85/67/24/509856724.db2.gz FDTBBOJNKRNXHR-HBMCJLEFSA-N 1 3 372.557 2.977 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)N(C)C)cc1 ZINC000252652716 509856734 /nfs/dbraw/zinc/85/67/34/509856734.db2.gz FDTBBOJNKRNXHR-HBMCJLEFSA-N 1 3 372.557 2.977 20 0 FFADHO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccn(CCN(C)C)n2)cc1 ZINC000173941292 509866666 /nfs/dbraw/zinc/86/66/66/509866666.db2.gz NYDXRRVELJUBEH-UHFFFAOYSA-N 1 3 372.517 2.608 20 0 FFADHO O=C(CCN1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1F ZINC000173952169 509872087 /nfs/dbraw/zinc/87/20/87/509872087.db2.gz BTBXPIYTKHZPOM-UHFFFAOYSA-N 1 3 363.477 2.731 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)CC[C@@H]3CCCCN3C)c2cc1C ZINC000173958009 509875831 /nfs/dbraw/zinc/87/58/31/509875831.db2.gz CNUBVYOBWWWDGG-RBUKOAKNSA-N 1 3 358.530 2.820 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[N@H+](C)CC[C@@H]3CCCCN3C)c2cc1C ZINC000173958009 509875834 /nfs/dbraw/zinc/87/58/34/509875834.db2.gz CNUBVYOBWWWDGG-RBUKOAKNSA-N 1 3 358.530 2.820 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245383664 509888182 /nfs/dbraw/zinc/88/81/82/509888182.db2.gz QQRBTZDDEOAVLR-AZUAARDMSA-N 1 3 359.489 2.734 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000255958740 509941838 /nfs/dbraw/zinc/94/18/38/509941838.db2.gz MNPWAHNVRBZKQG-YOUFYPILSA-N 1 3 374.573 2.825 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000255958740 509941846 /nfs/dbraw/zinc/94/18/46/509941846.db2.gz MNPWAHNVRBZKQG-YOUFYPILSA-N 1 3 374.573 2.825 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000174153689 509972839 /nfs/dbraw/zinc/97/28/39/509972839.db2.gz BBNDGDAITHYBRS-AZUAARDMSA-N 1 3 361.505 2.980 20 0 FFADHO Cc1ccc2c(CN(C)CCN(C)C3CC[NH+](C)CC3)cc(=O)oc2c1C ZINC000177383878 510027494 /nfs/dbraw/zinc/02/74/94/510027494.db2.gz HYBYMALCEFSAKM-UHFFFAOYSA-N 1 3 371.525 2.868 20 0 FFADHO COCCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261707209 510034948 /nfs/dbraw/zinc/03/49/48/510034948.db2.gz MELAWLNOPWIDGD-UXHICEINSA-N 1 3 370.493 2.895 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@H]1c1cccs1 ZINC000245658751 510067406 /nfs/dbraw/zinc/06/74/06/510067406.db2.gz CXDBBGWTVALZFT-LMMKCTJWSA-N 1 3 374.554 2.787 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@H]1c1cccs1 ZINC000245658751 510067410 /nfs/dbraw/zinc/06/74/10/510067410.db2.gz CXDBBGWTVALZFT-LMMKCTJWSA-N 1 3 374.554 2.787 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[C@H]1c1cccs1 ZINC000245658746 510067475 /nfs/dbraw/zinc/06/74/75/510067475.db2.gz CXDBBGWTVALZFT-AOIWGVFYSA-N 1 3 374.554 2.787 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[C@H]1c1cccs1 ZINC000245658746 510067482 /nfs/dbraw/zinc/06/74/82/510067482.db2.gz CXDBBGWTVALZFT-AOIWGVFYSA-N 1 3 374.554 2.787 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187121719 510070160 /nfs/dbraw/zinc/07/01/60/510070160.db2.gz MODZPCLPFNZTJB-UHFFFAOYSA-N 1 3 368.525 2.874 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC(C)(C)CC3)CC2)CC1 ZINC000174467956 510128435 /nfs/dbraw/zinc/12/84/35/510128435.db2.gz VSUKKASCIBCGOD-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCN(Cc2ccc(-c3nc(-c4ccc(C[NH3+])cc4)no3)cc2)CC1 ZINC000262002459 510145018 /nfs/dbraw/zinc/14/50/18/510145018.db2.gz LLJCQXRDSJSBIT-UHFFFAOYSA-N 1 3 363.465 2.610 20 0 FFADHO CC[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000262027915 510152496 /nfs/dbraw/zinc/15/24/96/510152496.db2.gz YJVLESOZSVVSSJ-ZBFHGGJFSA-N 1 3 368.319 2.687 20 0 FFADHO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCC[C@@H](C)C1 ZINC000245840423 510162557 /nfs/dbraw/zinc/16/25/57/510162557.db2.gz BGCUPNWEKWPTIK-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000177621107 510165807 /nfs/dbraw/zinc/16/58/07/510165807.db2.gz BUIHDPZDURAKJA-VQIMIIECSA-N 1 3 370.541 2.748 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000177621107 510165812 /nfs/dbraw/zinc/16/58/12/510165812.db2.gz BUIHDPZDURAKJA-VQIMIIECSA-N 1 3 370.541 2.748 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194007027 510172064 /nfs/dbraw/zinc/17/20/64/510172064.db2.gz MRKHWALHPLJVLG-NRFANRHFSA-N 1 3 372.557 2.677 20 0 FFADHO C[C@H]1Oc2ccccc2OC1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262108381 510180998 /nfs/dbraw/zinc/18/09/98/510180998.db2.gz UKMUFNJTNKMAJP-BDJLRTHQSA-N 1 3 359.451 2.777 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245931205 510215887 /nfs/dbraw/zinc/21/58/87/510215887.db2.gz SJCUBSLTUKXWPT-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245931205 510215894 /nfs/dbraw/zinc/21/58/94/510215894.db2.gz SJCUBSLTUKXWPT-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000181119762 510281586 /nfs/dbraw/zinc/28/15/86/510281586.db2.gz QESHONFVNYHMPI-LSJNQWAISA-N 1 3 368.543 2.633 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000181141924 510285178 /nfs/dbraw/zinc/28/51/78/510285178.db2.gz DKVNNNZCBNCWED-SFHVURJKSA-N 1 3 359.514 2.519 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194281568 510291373 /nfs/dbraw/zinc/29/13/73/510291373.db2.gz JIGCMISINQHBJX-UHFFFAOYSA-N 1 3 355.526 2.950 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000269305762 510332874 /nfs/dbraw/zinc/33/28/74/510332874.db2.gz SSNTVVMFDAOMID-VQTJNVASSA-N 1 3 372.557 2.531 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262610515 510335672 /nfs/dbraw/zinc/33/56/72/510335672.db2.gz DQOWRORRMBMAAO-JZXOWHBKSA-N 1 3 369.431 2.685 20 0 FFADHO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NCc1ccccc1 ZINC000177942519 510339035 /nfs/dbraw/zinc/33/90/35/510339035.db2.gz MLPMUHCYASSNPK-QZTJIDSGSA-N 1 3 369.509 2.983 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000194438532 510365162 /nfs/dbraw/zinc/36/51/62/510365162.db2.gz BFFWKZZEOKQJHO-LJQANCHMSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[C@](C)([NH3+])C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000262707849 510378480 /nfs/dbraw/zinc/37/84/80/510378480.db2.gz NOHNYVFOZUSMLL-NRFANRHFSA-N 1 3 360.546 2.531 20 0 FFADHO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000187747688 510414545 /nfs/dbraw/zinc/41/45/45/510414545.db2.gz LXRAQRULGOGSEL-GOSISDBHSA-N 1 3 374.529 2.967 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000174975537 510415436 /nfs/dbraw/zinc/41/54/36/510415436.db2.gz JUJBWRYJMSOLSZ-HXUWFJFHSA-N 1 3 358.530 2.561 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@H]1CSCCN1 ZINC000262804217 510418047 /nfs/dbraw/zinc/41/80/47/510418047.db2.gz PQLJOQDTYLNPFH-LPHOPBHVSA-N 1 3 361.555 2.772 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@H]1CSCCN1 ZINC000262804217 510418056 /nfs/dbraw/zinc/41/80/56/510418056.db2.gz PQLJOQDTYLNPFH-LPHOPBHVSA-N 1 3 361.555 2.772 20 0 FFADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C1(C)C ZINC000262803183 510418118 /nfs/dbraw/zinc/41/81/18/510418118.db2.gz RPKQRFWSCTXZCR-GPMSIDNRSA-N 1 3 367.559 2.780 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178167653 510468261 /nfs/dbraw/zinc/46/82/61/510468261.db2.gz RTGSVNIKGFPEOZ-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178167653 510468270 /nfs/dbraw/zinc/46/82/70/510468270.db2.gz RTGSVNIKGFPEOZ-LJQANCHMSA-N 1 3 373.541 2.898 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1ccco1 ZINC000184743913 510495375 /nfs/dbraw/zinc/49/53/75/510495375.db2.gz GZNFKWZPCWSBNI-IAGOWNOFSA-N 1 3 355.482 2.642 20 0 FFADHO Cc1csc(=O)n1CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184752366 510500620 /nfs/dbraw/zinc/50/06/20/510500620.db2.gz CGJZFNNVNZCWOD-HZPDHXFCSA-N 1 3 359.539 2.964 20 0 FFADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000187938042 510509785 /nfs/dbraw/zinc/50/97/85/510509785.db2.gz NZTXEHSHYVQGDE-INIZCTEOSA-N 1 3 357.473 2.838 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246502608 510525557 /nfs/dbraw/zinc/52/55/57/510525557.db2.gz SGQZQZKGMOYCHZ-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000246502608 510525564 /nfs/dbraw/zinc/52/55/64/510525564.db2.gz SGQZQZKGMOYCHZ-OALUTQOASA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000246571707 510563944 /nfs/dbraw/zinc/56/39/44/510563944.db2.gz ODANHKNDQCAKCD-BWPNAZKDSA-N 1 3 358.530 2.631 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000246571707 510563951 /nfs/dbraw/zinc/56/39/51/510563951.db2.gz ODANHKNDQCAKCD-BWPNAZKDSA-N 1 3 358.530 2.631 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@H+](C)C3CCCC3)c2)CC1 ZINC000184886172 510565594 /nfs/dbraw/zinc/56/55/94/510565594.db2.gz QCSYSVYDIJQEMC-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@@H+](C)C3CCCC3)c2)CC1 ZINC000184886172 510565606 /nfs/dbraw/zinc/56/56/06/510565606.db2.gz QCSYSVYDIJQEMC-UHFFFAOYSA-N 1 3 373.545 2.824 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cn(C)c2ccccc12 ZINC000194872507 510567669 /nfs/dbraw/zinc/56/76/69/510567669.db2.gz OZDFAKFZGXXGOK-QGZVFWFLSA-N 1 3 356.514 2.666 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cn(C)c2ccccc12 ZINC000194872507 510567673 /nfs/dbraw/zinc/56/76/73/510567673.db2.gz OZDFAKFZGXXGOK-QGZVFWFLSA-N 1 3 356.514 2.666 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCCC[NH+]3CCCCC3)c2)CC1 ZINC000184911761 510579930 /nfs/dbraw/zinc/57/99/30/510579930.db2.gz HJSWSRKVNITZJS-UHFFFAOYSA-N 1 3 373.545 2.826 20 0 FFADHO CC1(C)[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181860443 510629119 /nfs/dbraw/zinc/62/91/19/510629119.db2.gz ZJBLSXTXBHKSPF-ACRUOGEOSA-N 1 3 358.526 2.937 20 0 FFADHO COc1cc(C)c(C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1OC ZINC000191389552 510634510 /nfs/dbraw/zinc/63/45/10/510634510.db2.gz WBEWDYHGPWEKTN-UHFFFAOYSA-N 1 3 363.546 2.860 20 0 FFADHO COc1cc(C)c(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1OC ZINC000191389552 510634517 /nfs/dbraw/zinc/63/45/17/510634517.db2.gz WBEWDYHGPWEKTN-UHFFFAOYSA-N 1 3 363.546 2.860 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000270086754 510669950 /nfs/dbraw/zinc/66/99/50/510669950.db2.gz ACOZEMDKJGLSJW-PMACEKPBSA-N 1 3 358.530 2.663 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000246844924 510704875 /nfs/dbraw/zinc/70/48/75/510704875.db2.gz CIFSLPFFLWZOHE-SJORKVTESA-N 1 3 367.559 2.710 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000178765440 510759460 /nfs/dbraw/zinc/75/94/60/510759460.db2.gz TXLHWEQBOWHSLL-YYWHXJBOSA-N 1 3 351.494 2.898 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)[C@@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000178765440 510759464 /nfs/dbraw/zinc/75/94/64/510759464.db2.gz TXLHWEQBOWHSLL-YYWHXJBOSA-N 1 3 351.494 2.898 20 0 FFADHO C[C@@H](C(=O)N1CCCCC1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175798006 510795873 /nfs/dbraw/zinc/79/58/73/510795873.db2.gz FULOZUNEORMADM-OTWHNJEPSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H](C(=O)N1CCCCC1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175798006 510795878 /nfs/dbraw/zinc/79/58/78/510795878.db2.gz FULOZUNEORMADM-OTWHNJEPSA-N 1 3 365.562 2.599 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC[C@@H]21 ZINC000247024526 510806358 /nfs/dbraw/zinc/80/63/58/510806358.db2.gz QMWJPDHGZZDANA-NJYVYQBISA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC[C@@H]21 ZINC000247024526 510806361 /nfs/dbraw/zinc/80/63/61/510806361.db2.gz QMWJPDHGZZDANA-NJYVYQBISA-N 1 3 370.541 2.949 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178873602 510815494 /nfs/dbraw/zinc/81/54/94/510815494.db2.gz LIZRUAHLHVHAGU-UYAOXDASSA-N 1 3 372.557 2.788 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000247471229 510862026 /nfs/dbraw/zinc/86/20/26/510862026.db2.gz GZBQMQORYQKGDV-RAFMOHDBSA-N 1 3 356.514 2.575 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000247471229 510862027 /nfs/dbraw/zinc/86/20/27/510862027.db2.gz GZBQMQORYQKGDV-RAFMOHDBSA-N 1 3 356.514 2.575 20 0 FFADHO CN(C)CCOc1cc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)ccn1 ZINC000282277208 510911774 /nfs/dbraw/zinc/91/17/74/510911774.db2.gz KVLDFGKLLMHPAI-MRXNPFEDSA-N 1 3 350.466 2.760 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000285528724 510943553 /nfs/dbraw/zinc/94/35/53/510943553.db2.gz GUKGHXUCDJRNBM-QAPCUYQASA-N 1 3 372.538 2.556 20 0 FFADHO Cc1nc2sccn2c(=O)c1CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000285528724 510943556 /nfs/dbraw/zinc/94/35/56/510943556.db2.gz GUKGHXUCDJRNBM-QAPCUYQASA-N 1 3 372.538 2.556 20 0 FFADHO Cc1cc([C@H](C)[NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)nn1C ZINC000282355759 510943716 /nfs/dbraw/zinc/94/37/16/510943716.db2.gz VXLLLQSBFSALOT-RXVVDRJESA-N 1 3 355.530 2.758 20 0 FFADHO Cc1ccc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)N2CCOCC2)o1 ZINC000294271174 511009829 /nfs/dbraw/zinc/00/98/29/511009829.db2.gz RTORDWCTLWQWAL-FQEVSTJZSA-N 1 3 370.497 2.615 20 0 FFADHO C[C@H](C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000361712037 511083660 /nfs/dbraw/zinc/08/36/60/511083660.db2.gz XWYQSWDWBAOPSZ-VPWXQRGCSA-N 1 3 353.466 2.678 20 0 FFADHO C[C@@H](O)C[C@@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279677526 511174129 /nfs/dbraw/zinc/17/41/29/511174129.db2.gz DZLJKJZOANLQPE-NQIIRXRSSA-N 1 3 373.541 2.524 20 0 FFADHO COc1cc2nccc(N3CCC([N@H+](C)CCCO)CC3)c2cc1OC ZINC000298113451 511179081 /nfs/dbraw/zinc/17/90/81/511179081.db2.gz BDPGRQQIKCUBEZ-UHFFFAOYSA-N 1 3 359.470 2.535 20 0 FFADHO COc1cc2nccc(N3CCC([N@@H+](C)CCCO)CC3)c2cc1OC ZINC000298113451 511179086 /nfs/dbraw/zinc/17/90/86/511179086.db2.gz BDPGRQQIKCUBEZ-UHFFFAOYSA-N 1 3 359.470 2.535 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000333309592 511198761 /nfs/dbraw/zinc/19/87/61/511198761.db2.gz VBPBUHFPUYKCCP-GGPKGHCWSA-N 1 3 373.545 2.560 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)CC[N@H+]1C ZINC000333309592 511198765 /nfs/dbraw/zinc/19/87/65/511198765.db2.gz VBPBUHFPUYKCCP-GGPKGHCWSA-N 1 3 373.545 2.560 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333532172 511276962 /nfs/dbraw/zinc/27/69/62/511276962.db2.gz ICPDKEMQWDYOGJ-MUGJNUQGSA-N 1 3 370.541 2.666 20 0 FFADHO COc1cccc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)N(C)C)c1 ZINC000298447520 511287212 /nfs/dbraw/zinc/28/72/12/511287212.db2.gz XAGCXURSVUOZMF-OAQYLSRUSA-N 1 3 354.498 2.952 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC3=CCN(C)CC3)cc2)C1 ZINC000271775693 511320284 /nfs/dbraw/zinc/32/02/84/511320284.db2.gz ASVSZQDROMUSGE-GOSISDBHSA-N 1 3 370.541 2.980 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3=CCN(C)CC3)cc2)C1 ZINC000271775693 511320290 /nfs/dbraw/zinc/32/02/90/511320290.db2.gz ASVSZQDROMUSGE-GOSISDBHSA-N 1 3 370.541 2.980 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000280082879 511329592 /nfs/dbraw/zinc/32/95/92/511329592.db2.gz YMILIUBGCPADPE-UHFFFAOYSA-N 1 3 355.530 2.688 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCN(CC)CC2)c2ccccc21 ZINC000283367124 511339648 /nfs/dbraw/zinc/33/96/48/511339648.db2.gz NRXVOQFONNELSP-RTWAWAEBSA-N 1 3 373.541 2.785 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000283389043 511347770 /nfs/dbraw/zinc/34/77/70/511347770.db2.gz UFXHDVJFBHTJIZ-FYYLOGMGSA-N 1 3 372.601 2.903 20 0 FFADHO CSCC1CCC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CC1 ZINC000295357319 511376484 /nfs/dbraw/zinc/37/64/84/511376484.db2.gz IXDBMGGODAWRTP-UHFFFAOYSA-N 1 3 363.571 2.989 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)C[C@H]21 ZINC000333869848 511377565 /nfs/dbraw/zinc/37/75/65/511377565.db2.gz BNFGFAQUKSOGTL-VQHPVUNQSA-N 1 3 362.543 2.654 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298856610 511432615 /nfs/dbraw/zinc/43/26/15/511432615.db2.gz IWILGWWQLXUDQV-HOTGVXAUSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@H](NCCC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298856610 511432622 /nfs/dbraw/zinc/43/26/22/511432622.db2.gz IWILGWWQLXUDQV-HOTGVXAUSA-N 1 3 373.497 2.987 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCCN(C2CCC2)C1 ZINC000298856610 511432627 /nfs/dbraw/zinc/43/26/27/511432627.db2.gz IWILGWWQLXUDQV-HOTGVXAUSA-N 1 3 373.497 2.987 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000363357045 511500645 /nfs/dbraw/zinc/50/06/45/511500645.db2.gz VUAUVNQHCJKVLD-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000363357045 511500650 /nfs/dbraw/zinc/50/06/50/511500650.db2.gz VUAUVNQHCJKVLD-QFIPXVFZSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292360327 511567781 /nfs/dbraw/zinc/56/77/81/511567781.db2.gz YQOXZZYLIHLJST-KZNAEPCWSA-N 1 3 361.530 2.928 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC[C@H]21 ZINC000284027677 511579854 /nfs/dbraw/zinc/57/98/54/511579854.db2.gz IDTUAKAHRSRQLW-YPAWHYETSA-N 1 3 357.542 2.694 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC[C@H]21 ZINC000284027677 511579856 /nfs/dbraw/zinc/57/98/56/511579856.db2.gz IDTUAKAHRSRQLW-YPAWHYETSA-N 1 3 357.542 2.694 20 0 FFADHO c1ccc(CN2CCCO[C@@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000284150369 511624248 /nfs/dbraw/zinc/62/42/48/511624248.db2.gz PKSVUTTWROOIAA-FGZHOGPDSA-N 1 3 357.542 2.838 20 0 FFADHO CCCC[N@H+](C)CC1CCN(CCc2c(C)nc3ccccn3c2=O)CC1 ZINC000284428639 511720939 /nfs/dbraw/zinc/72/09/39/511720939.db2.gz YKMHWICURZKRHY-UHFFFAOYSA-N 1 3 370.541 2.989 20 0 FFADHO CCCC[N@@H+](C)CC1CCN(CCc2c(C)nc3ccccn3c2=O)CC1 ZINC000284428639 511720942 /nfs/dbraw/zinc/72/09/42/511720942.db2.gz YKMHWICURZKRHY-UHFFFAOYSA-N 1 3 370.541 2.989 20 0 FFADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CN1CCCC1 ZINC000315119726 511798119 /nfs/dbraw/zinc/79/81/19/511798119.db2.gz ZSWCNQGXFRQLOC-HOCLYGCPSA-N 1 3 371.319 2.510 20 0 FFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092437 511818291 /nfs/dbraw/zinc/81/82/91/511818291.db2.gz UUZKEPREWQBPCW-WFASDCNBSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092437 511818297 /nfs/dbraw/zinc/81/82/97/511818297.db2.gz UUZKEPREWQBPCW-WFASDCNBSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(Cl)cc1Cl ZINC000321092437 511818302 /nfs/dbraw/zinc/81/83/02/511818302.db2.gz UUZKEPREWQBPCW-WFASDCNBSA-N 1 3 359.297 2.807 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274747241 511928949 /nfs/dbraw/zinc/92/89/49/511928949.db2.gz GRQIXZGTFFFMSW-SJBKTWHCSA-N 1 3 358.574 2.513 20 0 FFADHO CN1CCC([N@@H+]2CC[C@H](NCc3c(F)cccc3Br)C2)CC1 ZINC000366342979 511967838 /nfs/dbraw/zinc/96/78/38/511967838.db2.gz RGVGPFHIXNIKNM-ZDUSSCGKSA-N 1 3 370.310 2.846 20 0 FFADHO CN1CCC([N@H+]2CC[C@H](NCc3c(F)cccc3Br)C2)CC1 ZINC000366342979 511967844 /nfs/dbraw/zinc/96/78/44/511967844.db2.gz RGVGPFHIXNIKNM-ZDUSSCGKSA-N 1 3 370.310 2.846 20 0 FFADHO COCCCN1CCC([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274959997 511998783 /nfs/dbraw/zinc/99/87/83/511998783.db2.gz WKMDSHJUOOODNO-CTNGQTDRSA-N 1 3 359.558 2.988 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC(N3CCc4ccccc43)CC2)CC1 ZINC000281948178 512022432 /nfs/dbraw/zinc/02/24/32/512022432.db2.gz FJDBFUDCUOFJBT-UHFFFAOYSA-N 1 3 370.585 2.930 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000275150433 512057651 /nfs/dbraw/zinc/05/76/51/512057651.db2.gz RWAHFNRWJQEBNU-YLJYHZDGSA-N 1 3 355.526 2.888 20 0 FFADHO CN(c1ccccc1CN1CCC[N@@H+]2CCC[C@@H]2C1)C1CCN(C)CC1 ZINC000360079105 512071105 /nfs/dbraw/zinc/07/11/05/512071105.db2.gz YXDNZVKKIXIHQS-OAQYLSRUSA-N 1 3 356.558 2.887 20 0 FFADHO CN(c1ccccc1CN1CCC[N@H+]2CCC[C@@H]2C1)C1CCN(C)CC1 ZINC000360079105 512071111 /nfs/dbraw/zinc/07/11/11/512071111.db2.gz YXDNZVKKIXIHQS-OAQYLSRUSA-N 1 3 356.558 2.887 20 0 FFADHO CCn1cc(CCN(C)[C@H]2CCC[N@H+](CCc3cnn(CC)c3)CC2)cn1 ZINC000375672175 512448610 /nfs/dbraw/zinc/44/86/10/512448610.db2.gz MASVCSMDWKWMIH-NRFANRHFSA-N 1 3 372.561 2.691 20 0 FFADHO CCn1cc(CCN(C)[C@H]2CCC[N@@H+](CCc3cnn(CC)c3)CC2)cn1 ZINC000375672175 512448613 /nfs/dbraw/zinc/44/86/13/512448613.db2.gz MASVCSMDWKWMIH-NRFANRHFSA-N 1 3 372.561 2.691 20 0 FFADHO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1=CCN(C)CC1 ZINC000371575960 512474065 /nfs/dbraw/zinc/47/40/65/512474065.db2.gz SHYNQIAMPFVMBG-MOPGFXCFSA-N 1 3 362.562 2.790 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000375891689 512556575 /nfs/dbraw/zinc/55/65/75/512556575.db2.gz WNBAXDCQLPURDB-PNKHAZJDSA-N 1 3 367.534 2.521 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375891689 512556578 /nfs/dbraw/zinc/55/65/78/512556578.db2.gz WNBAXDCQLPURDB-PNKHAZJDSA-N 1 3 367.534 2.521 20 0 FFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375891689 512556582 /nfs/dbraw/zinc/55/65/82/512556582.db2.gz WNBAXDCQLPURDB-PNKHAZJDSA-N 1 3 367.534 2.521 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000371824810 512590833 /nfs/dbraw/zinc/59/08/33/512590833.db2.gz YHKLRTSCNQQWCC-UHFFFAOYSA-N 1 3 367.541 2.722 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCCOCCc3ccccc3)CC2)CC1 ZINC000371835088 512595686 /nfs/dbraw/zinc/59/56/86/512595686.db2.gz QBOICMJVXDNGSD-UHFFFAOYSA-N 1 3 373.585 2.985 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000378186407 512629433 /nfs/dbraw/zinc/62/94/33/512629433.db2.gz CFNJXHNMRBLGNB-IBGZPJMESA-N 1 3 354.498 2.966 20 0 FFADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000369891493 512667856 /nfs/dbraw/zinc/66/78/56/512667856.db2.gz DWXIIJWPFYGFMN-NMLBUPMWSA-N 1 3 373.545 2.589 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@@H]1c1cccs1 ZINC000372106295 512719171 /nfs/dbraw/zinc/71/91/71/512719171.db2.gz XVMVJKHJTNNALK-IEBWSBKVSA-N 1 3 369.534 2.744 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@@H]1c1cccs1 ZINC000372106295 512719175 /nfs/dbraw/zinc/71/91/75/512719175.db2.gz XVMVJKHJTNNALK-IEBWSBKVSA-N 1 3 369.534 2.744 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000374254182 512728796 /nfs/dbraw/zinc/72/87/96/512728796.db2.gz LNOTXWINKRXFGI-NQIIRXRSSA-N 1 3 367.541 2.843 20 0 FFADHO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000374254182 512728797 /nfs/dbraw/zinc/72/87/97/512728797.db2.gz LNOTXWINKRXFGI-NQIIRXRSSA-N 1 3 367.541 2.843 20 0 FFADHO C[C@H]1C[N@H+](CCSc2ccccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000374296808 512751305 /nfs/dbraw/zinc/75/13/05/512751305.db2.gz OWXAUSIITQBCDK-FUHWJXTLSA-N 1 3 351.535 2.876 20 0 FFADHO C[C@H]1C[N@@H+](CCSc2ccccc2F)CC[C@H]1N1CCN(C)CC1 ZINC000374296808 512751311 /nfs/dbraw/zinc/75/13/11/512751311.db2.gz OWXAUSIITQBCDK-FUHWJXTLSA-N 1 3 351.535 2.876 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@H]2CC[N@@H+]4CCC[C@H]4C2)CC3)cc1 ZINC000378555012 512820986 /nfs/dbraw/zinc/82/09/86/512820986.db2.gz WXZPSQUOMVGREE-KSZLIROESA-N 1 3 355.461 2.615 20 0 FFADHO Fc1ccc(-c2nnc3n2C[C@H](N[C@H]2CC[N@H+]4CCC[C@H]4C2)CC3)cc1 ZINC000378555012 512820991 /nfs/dbraw/zinc/82/09/91/512820991.db2.gz WXZPSQUOMVGREE-KSZLIROESA-N 1 3 355.461 2.615 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000379674427 512870626 /nfs/dbraw/zinc/87/06/26/512870626.db2.gz UKDLKLAZJMVVRU-WGQQHEPDSA-N 1 3 373.541 2.546 20 0 FFADHO C[C@H](CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000379674427 512870630 /nfs/dbraw/zinc/87/06/30/512870630.db2.gz UKDLKLAZJMVVRU-WGQQHEPDSA-N 1 3 373.541 2.546 20 0 FFADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000412195049 512993515 /nfs/dbraw/zinc/99/35/15/512993515.db2.gz PAPXZXUHRHOYAA-LJQANCHMSA-N 1 3 365.587 2.681 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000370632492 513024834 /nfs/dbraw/zinc/02/48/34/513024834.db2.gz BEBXFDIPPYHART-PKOBYXMFSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374834050 513027714 /nfs/dbraw/zinc/02/77/14/513027714.db2.gz HDFOCSMWELCTQR-SESVDKBCSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374834050 513027719 /nfs/dbraw/zinc/02/77/19/513027719.db2.gz HDFOCSMWELCTQR-SESVDKBCSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H](NC1CC[NH+](CC2CC2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000370675403 513046812 /nfs/dbraw/zinc/04/68/12/513046812.db2.gz BCBINLXYIFZAIX-AVRDEDQJSA-N 1 3 357.542 2.740 20 0 FFADHO CN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417647044 513136752 /nfs/dbraw/zinc/13/67/52/513136752.db2.gz DTOXXXSDWMLZOM-BMHONFFRSA-N 1 3 356.514 2.575 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000417649850 513137630 /nfs/dbraw/zinc/13/76/30/513137630.db2.gz KDBNNGJPKWRIIW-HXUWFJFHSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417673074 513152252 /nfs/dbraw/zinc/15/22/52/513152252.db2.gz VLEBCCGYYANWFU-SFTDATJTSA-N 1 3 370.541 2.682 20 0 FFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417681869 513158095 /nfs/dbraw/zinc/15/80/95/513158095.db2.gz KIBXTXIPGOOHRL-UXPWSPDFSA-N 1 3 372.557 2.886 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417735567 513187316 /nfs/dbraw/zinc/18/73/16/513187316.db2.gz LHDXKWBVPQGJJM-GDBMZVCRSA-N 1 3 352.548 2.948 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417816912 513219790 /nfs/dbraw/zinc/21/97/90/513219790.db2.gz DHRAWHKTSOLZIV-UMGGQSCQSA-N 1 3 358.530 2.808 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nsc2ccccc21 ZINC000424643598 513221059 /nfs/dbraw/zinc/22/10/59/513221059.db2.gz QUFNJWCVSFDXCB-MRXNPFEDSA-N 1 3 374.554 2.713 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nsc2ccccc21 ZINC000424643598 513221062 /nfs/dbraw/zinc/22/10/62/513221062.db2.gz QUFNJWCVSFDXCB-MRXNPFEDSA-N 1 3 374.554 2.713 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000446267497 513222845 /nfs/dbraw/zinc/22/28/45/513222845.db2.gz SJPLSBHBTZWKKX-NNMXDRDESA-N 1 3 373.541 2.676 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000446267497 513222851 /nfs/dbraw/zinc/22/28/51/513222851.db2.gz SJPLSBHBTZWKKX-NNMXDRDESA-N 1 3 373.541 2.676 20 0 FFADHO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000421347054 513231307 /nfs/dbraw/zinc/23/13/07/513231307.db2.gz BAZQSPHYPUTASX-GHRYLNIYSA-N 1 3 355.526 2.778 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000417845965 513234565 /nfs/dbraw/zinc/23/45/65/513234565.db2.gz SUDWFFNCRGGTDS-POAQFYNOSA-N 1 3 356.514 2.575 20 0 FFADHO CC(C)N(Cc1ccc(NC(=O)NCC2C[NH2+]C2)cc1)C[C@@H]1CCCCO1 ZINC000415409796 513247120 /nfs/dbraw/zinc/24/71/20/513247120.db2.gz UBSOUPFJCGTPLU-FQEVSTJZSA-N 1 3 374.529 2.807 20 0 FFADHO CC(C)N(Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2)cc1)C[C@H]1CCCCO1 ZINC000415413016 513248624 /nfs/dbraw/zinc/24/86/24/513248624.db2.gz YFACOBGWCLVLOU-WOJBJXKFSA-N 1 3 374.529 2.950 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418025382 513338699 /nfs/dbraw/zinc/33/86/99/513338699.db2.gz DIGNSBMOJRQHFK-LJQANCHMSA-N 1 3 360.546 2.832 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418027894 513340048 /nfs/dbraw/zinc/34/00/48/513340048.db2.gz GVBKIVQFUGBKOX-HSALFYBXSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418029954 513341917 /nfs/dbraw/zinc/34/19/17/513341917.db2.gz JHVDONITLANTPO-HXUWFJFHSA-N 1 3 372.557 2.928 20 0 FFADHO OCC[C@H]1CCCN1Cc1cc(C[N@@H+]2CCC[C@H]2CCO)ccc1F ZINC000450787187 513342230 /nfs/dbraw/zinc/34/22/30/513342230.db2.gz ICKQQRYWOVIWPR-RBUKOAKNSA-N 1 3 350.478 2.519 20 0 FFADHO OCC[C@H]1CCCN1Cc1cc(C[N@H+]2CCC[C@H]2CCO)ccc1F ZINC000450787187 513342236 /nfs/dbraw/zinc/34/22/36/513342236.db2.gz ICKQQRYWOVIWPR-RBUKOAKNSA-N 1 3 350.478 2.519 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000418032536 513344008 /nfs/dbraw/zinc/34/40/08/513344008.db2.gz MBTLHIJNYDOPET-OAHLLOKOSA-N 1 3 372.435 2.702 20 0 FFADHO CN(C)CCn1nnnc1SCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412993787 513383314 /nfs/dbraw/zinc/38/33/14/513383314.db2.gz PNYPIOWXRJBPBP-UHFFFAOYSA-N 1 3 360.531 2.513 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000418152939 513392518 /nfs/dbraw/zinc/39/25/18/513392518.db2.gz UHUGYADMEVDSLZ-NRFANRHFSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 ZINC000418155020 513395024 /nfs/dbraw/zinc/39/50/24/513395024.db2.gz WHBHZWVVHQPLIR-OXQOHEQNSA-N 1 3 358.530 2.666 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)cc1 ZINC000418188831 513413376 /nfs/dbraw/zinc/41/33/76/513413376.db2.gz UTQNKIHZLPLFSF-NJAFHUGGSA-N 1 3 364.921 2.726 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000418228928 513432267 /nfs/dbraw/zinc/43/22/67/513432267.db2.gz FUZJTGCNNKURGU-HKUYNNGSSA-N 1 3 364.559 2.700 20 0 FFADHO CCCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000418233641 513433752 /nfs/dbraw/zinc/43/37/52/513433752.db2.gz OQUJQGHKONFQPX-AEFFLSMTSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418232479 513434006 /nfs/dbraw/zinc/43/40/06/513434006.db2.gz MQLCCAPKOINICE-KYJSFNMBSA-N 1 3 364.559 2.828 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCC1 ZINC000418238972 513436640 /nfs/dbraw/zinc/43/66/40/513436640.db2.gz GGEQBQJKPKCBBN-LJQANCHMSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1([NH3+])CCCCC1 ZINC000418302097 513456148 /nfs/dbraw/zinc/45/61/48/513456148.db2.gz ZXQFPHKBFBUVIA-UHFFFAOYSA-N 1 3 368.472 2.700 20 0 FFADHO C[C@@H](NC(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418308217 513457390 /nfs/dbraw/zinc/45/73/90/513457390.db2.gz FSGSCAAATAZZPF-IEBWSBKVSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H](NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418341838 513472781 /nfs/dbraw/zinc/47/27/81/513472781.db2.gz MNKSTCGLKIUKSF-DLBZAZTESA-N 1 3 352.567 2.917 20 0 FFADHO COc1ccc2[nH+]c3c(c(N[C@H](C)CN4CCN(C)CC4)c2c1)CCCC3 ZINC000413144364 513480267 /nfs/dbraw/zinc/48/02/67/513480267.db2.gz YEOGFDLQHLTXIZ-MRXNPFEDSA-N 1 3 368.525 2.592 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418357794 513481604 /nfs/dbraw/zinc/48/16/04/513481604.db2.gz YOOGCCKDEMOCAZ-CMKODMSKSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000415930613 513484173 /nfs/dbraw/zinc/48/41/73/513484173.db2.gz KEYWEOSQRZHYMW-UHFFFAOYSA-N 1 3 352.482 2.976 20 0 FFADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418377749 513488690 /nfs/dbraw/zinc/48/86/90/513488690.db2.gz VJISBFKOTMIZSI-UGKGYDQZSA-N 1 3 370.541 2.684 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418382344 513489736 /nfs/dbraw/zinc/48/97/36/513489736.db2.gz LYZHOQFQRUWBRK-MRXNPFEDSA-N 1 3 372.435 2.531 20 0 FFADHO CN1CC[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000415948059 513493546 /nfs/dbraw/zinc/49/35/46/513493546.db2.gz TTWXPBIHNAQQRD-OALUTQOASA-N 1 3 354.454 2.591 20 0 FFADHO C[NH2+]C[C@@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418398356 513495762 /nfs/dbraw/zinc/49/57/62/513495762.db2.gz WJMVLSIYOIJHJI-CQSZACIVSA-N 1 3 374.451 2.634 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000415992054 513523405 /nfs/dbraw/zinc/52/34/05/513523405.db2.gz ANKMGQBIRVSKSJ-VNQPRFMTSA-N 1 3 372.435 2.618 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418483037 513528331 /nfs/dbraw/zinc/52/83/31/513528331.db2.gz FELSCNUFDLOVQU-LJQANCHMSA-N 1 3 354.498 2.871 20 0 FFADHO CCCN(C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418497963 513533776 /nfs/dbraw/zinc/53/37/76/513533776.db2.gz KYLXSVLTUJKGIE-UXHICEINSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC1([NH3+])CCC1 ZINC000418505391 513536426 /nfs/dbraw/zinc/53/64/26/513536426.db2.gz CQLGPZMJQZCIHT-UHFFFAOYSA-N 1 3 372.435 2.660 20 0 FFADHO CN1CCN(CC[NH2+]Cc2ccccc2OCC(F)(F)F)CC1(C)C ZINC000441383171 513557636 /nfs/dbraw/zinc/55/76/36/513557636.db2.gz VXGKSHUIBNNTKH-UHFFFAOYSA-N 1 3 359.436 2.743 20 0 FFADHO CCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC ZINC000441387283 513559603 /nfs/dbraw/zinc/55/96/03/513559603.db2.gz VHQGTNJXDIIOGY-UHFFFAOYSA-N 1 3 363.546 2.990 20 0 FFADHO CC(C)(C)N1CC[C@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000425447525 513571703 /nfs/dbraw/zinc/57/17/03/513571703.db2.gz POJAZVJJSGSVEG-AABGKKOBSA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)(C)N1CC[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000425447525 513571709 /nfs/dbraw/zinc/57/17/09/513571709.db2.gz POJAZVJJSGSVEG-AABGKKOBSA-N 1 3 355.526 2.840 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@H](C4CC4)C3)CC2)CC1 ZINC000425453896 513574767 /nfs/dbraw/zinc/57/47/67/513574767.db2.gz ZYWRZBARBJXQIS-PKOBYXMFSA-N 1 3 362.562 2.813 20 0 FFADHO COc1cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)ccc1C ZINC000447811494 513578049 /nfs/dbraw/zinc/57/80/49/513578049.db2.gz FVMHADAOEZBQPM-UHFFFAOYSA-N 1 3 354.498 2.701 20 0 FFADHO CCN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418623612 513580678 /nfs/dbraw/zinc/58/06/78/513580678.db2.gz OKNCJDLCZZLRSV-PMACEKPBSA-N 1 3 358.530 2.810 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418631676 513584796 /nfs/dbraw/zinc/58/47/96/513584796.db2.gz BJYBEDGSZWRVDH-UHFFFAOYSA-N 1 3 356.514 2.602 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418647479 513590383 /nfs/dbraw/zinc/59/03/83/513590383.db2.gz YHVNZTDBCXQPLC-QUCCMNQESA-N 1 3 356.514 2.533 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000418647457 513590508 /nfs/dbraw/zinc/59/05/08/513590508.db2.gz YFECERZUZMPINY-FQEVSTJZSA-N 1 3 356.514 2.533 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[N@H+](C2CCCC2)CC1 ZINC000418647457 513590518 /nfs/dbraw/zinc/59/05/18/513590518.db2.gz YFECERZUZMPINY-FQEVSTJZSA-N 1 3 356.514 2.533 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418664407 513601732 /nfs/dbraw/zinc/60/17/32/513601732.db2.gz AQVMHBJCJLRCGU-KRWDZBQOSA-N 1 3 361.534 2.847 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000422154777 513603378 /nfs/dbraw/zinc/60/33/78/513603378.db2.gz IJVFQLUIEZXOQN-PMACEKPBSA-N 1 3 358.530 2.868 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000422154777 513603382 /nfs/dbraw/zinc/60/33/82/513603382.db2.gz IJVFQLUIEZXOQN-PMACEKPBSA-N 1 3 358.530 2.868 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418678281 513608586 /nfs/dbraw/zinc/60/85/86/513608586.db2.gz ADXNJONTCGSTJY-CQSZACIVSA-N 1 3 374.451 2.906 20 0 FFADHO CN(C(=O)NCCC[C@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000418741325 513632597 /nfs/dbraw/zinc/63/25/97/513632597.db2.gz AQJWBLGMMILTBR-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000418745990 513635226 /nfs/dbraw/zinc/63/52/26/513635226.db2.gz WSNONYFIJGXDAS-MOPGFXCFSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418766970 513648004 /nfs/dbraw/zinc/64/80/04/513648004.db2.gz LEDWGZZDDMNUCR-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000422245910 513656214 /nfs/dbraw/zinc/65/62/14/513656214.db2.gz QKMRIWKKNVZMTD-MHJFOBGBSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422252856 513659683 /nfs/dbraw/zinc/65/96/83/513659683.db2.gz CHYIKOMBZYJFEM-UHFFFAOYSA-N 1 3 352.548 2.694 20 0 FFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)[C@@H]2C1 ZINC000425649519 513678963 /nfs/dbraw/zinc/67/89/63/513678963.db2.gz KCCXSONZGUPUSO-XUVXKRRUSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)[C@@H]2C1 ZINC000425649519 513678971 /nfs/dbraw/zinc/67/89/71/513678971.db2.gz KCCXSONZGUPUSO-XUVXKRRUSA-N 1 3 356.514 2.559 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)C1CC[NH2+]CC1 ZINC000430605977 513702792 /nfs/dbraw/zinc/70/27/92/513702792.db2.gz TYXMVRVCZQFGBS-UHFFFAOYSA-N 1 3 355.486 2.502 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000430605977 513702794 /nfs/dbraw/zinc/70/27/94/513702794.db2.gz TYXMVRVCZQFGBS-UHFFFAOYSA-N 1 3 355.486 2.502 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)C1CCNCC1 ZINC000430605977 513702797 /nfs/dbraw/zinc/70/27/97/513702797.db2.gz TYXMVRVCZQFGBS-UHFFFAOYSA-N 1 3 355.486 2.502 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000448207820 513708168 /nfs/dbraw/zinc/70/81/68/513708168.db2.gz BGVDTMRQKONXLF-GBESFXJTSA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000448207820 513708173 /nfs/dbraw/zinc/70/81/73/513708173.db2.gz BGVDTMRQKONXLF-GBESFXJTSA-N 1 3 352.567 2.917 20 0 FFADHO COCC[C@]1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000430726902 513734989 /nfs/dbraw/zinc/73/49/89/513734989.db2.gz WQDLQYGZJDPZHN-SYYKKAFVSA-N 1 3 373.541 2.514 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451417521 513738464 /nfs/dbraw/zinc/73/84/64/513738464.db2.gz HRZWQFUXCLLHRE-QUTUUGMOSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451417521 513738473 /nfs/dbraw/zinc/73/84/73/513738473.db2.gz HRZWQFUXCLLHRE-QUTUUGMOSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451417521 513738479 /nfs/dbraw/zinc/73/84/79/513738479.db2.gz HRZWQFUXCLLHRE-QUTUUGMOSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451417521 513738485 /nfs/dbraw/zinc/73/84/85/513738485.db2.gz HRZWQFUXCLLHRE-QUTUUGMOSA-N 1 3 350.547 2.627 20 0 FFADHO C[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000442604238 513742985 /nfs/dbraw/zinc/74/29/85/513742985.db2.gz KFBPYHJQOHFINB-RXVVDRJESA-N 1 3 357.542 2.917 20 0 FFADHO CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000442709374 513756162 /nfs/dbraw/zinc/75/61/62/513756162.db2.gz BVSPAMSHIBIGJJ-SFHVURJKSA-N 1 3 360.502 2.957 20 0 FFADHO C[C@H]([NH3+])C1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000430928662 513783762 /nfs/dbraw/zinc/78/37/62/513783762.db2.gz UTLJZVSWTZLJSC-JTQLQIEISA-N 1 3 369.391 2.579 20 0 FFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431032261 513810600 /nfs/dbraw/zinc/81/06/00/513810600.db2.gz ILXKJFRIFRMAHT-DLBZAZTESA-N 1 3 356.514 2.840 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000431039244 513811811 /nfs/dbraw/zinc/81/18/11/513811811.db2.gz WGJJBZRCAUTIND-PXNSSMCTSA-N 1 3 361.530 2.672 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000436279153 513816179 /nfs/dbraw/zinc/81/61/79/513816179.db2.gz AMYYBKDFTSNVAZ-RPUPUWCGSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCC(C)CC1 ZINC000431066381 513816591 /nfs/dbraw/zinc/81/65/91/513816591.db2.gz SPTLNIKWIFNPRJ-QGZVFWFLSA-N 1 3 356.514 2.840 20 0 FFADHO Cc1ccc2cc([C@@H](C)[NH2+]CCCCN3CCN(CCO)CC3)oc2c1 ZINC000426039129 513834483 /nfs/dbraw/zinc/83/44/83/513834483.db2.gz JARDEEHXTCHKNX-GOSISDBHSA-N 1 3 359.514 2.782 20 0 FFADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000443060990 513858334 /nfs/dbraw/zinc/85/83/34/513858334.db2.gz QKMTZCCFUILWAU-QGZVFWFLSA-N 1 3 361.505 2.815 20 0 FFADHO Fc1ccc(CN2CCC(N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422721491 513912923 /nfs/dbraw/zinc/91/29/23/513912923.db2.gz OAGBGFLTKFOPOK-PCCBWWKXSA-N 1 3 361.505 2.537 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2cc(C(CC)CC)no2)CC[NH2+]CC1 ZINC000422791406 513933652 /nfs/dbraw/zinc/93/36/52/513933652.db2.gz VELBYDIDESTLSX-AWEZNQCLSA-N 1 3 351.491 2.989 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422800346 513935669 /nfs/dbraw/zinc/93/56/69/513935669.db2.gz ZTPLFFUMTKEHGQ-HLLBOEOZSA-N 1 3 360.420 2.843 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000422800349 513936298 /nfs/dbraw/zinc/93/62/98/513936298.db2.gz ZTPLFFUMTKEHGQ-ZOBUZTSGSA-N 1 3 360.420 2.843 20 0 FFADHO CC(C)C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422805934 513938454 /nfs/dbraw/zinc/93/84/54/513938454.db2.gz MTQBJFLDCAWPKY-KAGYGMCKSA-N 1 3 373.541 2.579 20 0 FFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000422830486 513945983 /nfs/dbraw/zinc/94/59/83/513945983.db2.gz IHUXHTIORNDNCK-FNAHDJPLSA-N 1 3 359.558 2.686 20 0 FFADHO C[C@@H](NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422841219 513948393 /nfs/dbraw/zinc/94/83/93/513948393.db2.gz CQHRHZZRXKCDCY-LJQANCHMSA-N 1 3 364.537 2.706 20 0 FFADHO c1ccc(-c2ccc(NCCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nn2)cc1 ZINC000422863570 513957145 /nfs/dbraw/zinc/95/71/45/513957145.db2.gz RZZYIKQKWDMOIR-HLAWJBBLSA-N 1 3 365.525 3.456 20 0 FFADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCC[C@@H]1C ZINC000414061203 513958968 /nfs/dbraw/zinc/95/89/68/513958968.db2.gz KFLJZUZMWNREEJ-GJZGRUSLSA-N 1 3 370.335 2.853 20 0 FFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422876906 513960067 /nfs/dbraw/zinc/96/00/67/513960067.db2.gz GRJFYKKRYZYETP-XJKSGUPXSA-N 1 3 368.319 2.547 20 0 FFADHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422878256 513961613 /nfs/dbraw/zinc/96/16/13/513961613.db2.gz JWQWWHJMMVMPJL-PCCBWWKXSA-N 1 3 371.573 2.624 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Cl)cc2OC)CC[NH2+]CC1 ZINC000422884557 513962406 /nfs/dbraw/zinc/96/24/06/513962406.db2.gz FEGKMWWTFOZZCG-CYBMUJFWSA-N 1 3 354.878 2.760 20 0 FFADHO CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416780400 513964039 /nfs/dbraw/zinc/96/40/39/513964039.db2.gz CJQCEWYWHBONRX-JIRNRHONSA-N 1 3 356.514 2.748 20 0 FFADHO CCN1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422889851 513965950 /nfs/dbraw/zinc/96/59/50/513965950.db2.gz GZZNWDSGEGZFFT-YTFSRNRJSA-N 1 3 370.585 2.834 20 0 FFADHO FC(F)(F)Oc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422890507 513965986 /nfs/dbraw/zinc/96/59/86/513965986.db2.gz IJVDBWOEISDMPF-GVDBMIGSSA-N 1 3 358.404 2.874 20 0 FFADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422918263 513974774 /nfs/dbraw/zinc/97/47/74/513974774.db2.gz HSFWSIXZDQOWSS-FGTMMUONSA-N 1 3 357.498 2.703 20 0 FFADHO O=C1COc2ccccc2N1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422918263 513974780 /nfs/dbraw/zinc/97/47/80/513974780.db2.gz HSFWSIXZDQOWSS-FGTMMUONSA-N 1 3 357.498 2.703 20 0 FFADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416808883 513976177 /nfs/dbraw/zinc/97/61/77/513976177.db2.gz AMTHHSPKRCEFQE-QUCCMNQESA-N 1 3 374.529 2.616 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N(C)C2CC[NH2+]CC2)c2cccs2)CC1 ZINC000416832121 513989459 /nfs/dbraw/zinc/98/94/59/513989459.db2.gz IHRWZYPHXGDZQH-KRWDZBQOSA-N 1 3 364.559 2.915 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2CCOc3ccc(F)cc32)CC[NH2+]CC1 ZINC000422956141 513989947 /nfs/dbraw/zinc/98/99/47/513989947.db2.gz KTAFOTOXUVUWIM-BBRMVZONSA-N 1 3 350.434 2.560 20 0 FFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422953564 513990670 /nfs/dbraw/zinc/99/06/70/513990670.db2.gz FQUKUNMJCLYRTB-HSALFYBXSA-N 1 3 361.555 2.804 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000416841695 513996480 /nfs/dbraw/zinc/99/64/80/513996480.db2.gz MJVGFAHFWYOONV-XHSDSOJGSA-N 1 3 350.532 2.654 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000416842116 513996602 /nfs/dbraw/zinc/99/66/02/513996602.db2.gz MRCWBOAIZRLYPI-GDBMZVCRSA-N 1 3 350.532 2.654 20 0 FFADHO COc1cc(-c2noc(CCCCC[NH2+][C@H]3CCC[C@H]3CN)n2)ccc1O ZINC000422984926 513998378 /nfs/dbraw/zinc/99/83/78/513998378.db2.gz BOYZCFQFWQPMEV-HOTGVXAUSA-N 1 3 374.485 2.881 20 0 FFADHO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179853 513999969 /nfs/dbraw/zinc/99/99/69/513999969.db2.gz APFOKNCSOWXMOM-UXHICEINSA-N 1 3 351.579 2.978 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422991857 514002496 /nfs/dbraw/zinc/00/24/96/514002496.db2.gz QGNCPEWPYYYSSA-LLVKDONJSA-N 1 3 354.376 2.992 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c2cccs2)CC1 ZINC000416857081 514007903 /nfs/dbraw/zinc/00/79/03/514007903.db2.gz XPNJBYQTMPCMHX-KBPBESRZSA-N 1 3 374.501 2.803 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000416859959 514009770 /nfs/dbraw/zinc/00/97/70/514009770.db2.gz VCHUHCPSBRKWIG-MJGOQNOKSA-N 1 3 362.518 2.649 20 0 FFADHO CN(CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416867160 514013428 /nfs/dbraw/zinc/01/34/28/514013428.db2.gz CDTMHQZHFHVYKB-FQEVSTJZSA-N 1 3 358.530 2.540 20 0 FFADHO Cc1cc(N2CC[C@@H](N[C@@H](C)CCCC[NH3+])C2=O)ccc1Br ZINC000423050400 514019450 /nfs/dbraw/zinc/01/94/50/514019450.db2.gz LWRLUCAPOXBMJA-XJKSGUPXSA-N 1 3 368.319 2.970 20 0 FFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423061961 514024487 /nfs/dbraw/zinc/02/44/87/514024487.db2.gz LWOPVXSRWNNJTQ-IAGOWNOFSA-N 1 3 364.534 2.532 20 0 FFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423061960 514025008 /nfs/dbraw/zinc/02/50/08/514025008.db2.gz LWOPVXSRWNNJTQ-DLBZAZTESA-N 1 3 364.534 2.532 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1ccccc1Br ZINC000423073035 514028894 /nfs/dbraw/zinc/02/88/94/514028894.db2.gz IDJQYVPOEKPOJD-IAOVAPTHSA-N 1 3 355.320 2.850 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1ccccc1Br ZINC000423077536 514030940 /nfs/dbraw/zinc/03/09/40/514030940.db2.gz UEUBSEOUWIIZRW-CPUCHLNUSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423077536 514030946 /nfs/dbraw/zinc/03/09/46/514030946.db2.gz UEUBSEOUWIIZRW-CPUCHLNUSA-N 1 3 355.320 2.578 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423080000 514031863 /nfs/dbraw/zinc/03/18/63/514031863.db2.gz ZDFBIXVBFSZDPE-WWPVKYPJSA-N 1 3 367.537 2.826 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2nccn2-c2ccccc2)CC[NH2+]CC1 ZINC000423128255 514053874 /nfs/dbraw/zinc/05/38/74/514053874.db2.gz PZQDAPQPNVAPLQ-IAGOWNOFSA-N 1 3 370.497 2.844 20 0 FFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423130015 514054227 /nfs/dbraw/zinc/05/42/27/514054227.db2.gz XWGBNPMYHZMDKT-LNSITVRQSA-N 1 3 366.303 2.815 20 0 FFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC[C@@H]2CN)cc1Br ZINC000423149838 514060452 /nfs/dbraw/zinc/06/04/52/514060452.db2.gz BAOXFXHCVKGYDA-UXLLHSPISA-N 1 3 355.320 2.626 20 0 FFADHO Cc1ccc(C[C@H](CO)CN[C@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000423149838 514060457 /nfs/dbraw/zinc/06/04/57/514060457.db2.gz BAOXFXHCVKGYDA-UXLLHSPISA-N 1 3 355.320 2.626 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H](C)[C@H]3CCCCN3)CC2)cc1 ZINC000423147037 514060672 /nfs/dbraw/zinc/06/06/72/514060672.db2.gz BUHNYCPZYUDZRY-IIBYNOLFSA-N 1 3 358.530 2.730 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423152967 514061442 /nfs/dbraw/zinc/06/14/42/514061442.db2.gz GRKZTHAVKPTYTN-GDZNZVCISA-N 1 3 373.310 2.846 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423152967 514061449 /nfs/dbraw/zinc/06/14/49/514061449.db2.gz GRKZTHAVKPTYTN-GDZNZVCISA-N 1 3 373.310 2.846 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423151408 514061567 /nfs/dbraw/zinc/06/15/67/514061567.db2.gz DAHNBGDSDYBHSJ-JTUUTPGSSA-N 1 3 367.331 2.781 20 0 FFADHO C[C@H](CNC1CC[NH+](CC2CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090700 514068950 /nfs/dbraw/zinc/06/89/50/514068950.db2.gz OIHLVZKJMJTDBP-OAHLLOKOSA-N 1 3 350.528 2.658 20 0 FFADHO Cc1c([C@H](C)NCCCN2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000423187580 514074590 /nfs/dbraw/zinc/07/45/90/514074590.db2.gz YGCGPJZLXFHEQQ-HNNXBMFYSA-N 1 3 361.921 2.780 20 0 FFADHO [NH3+]C[C@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C1CCCCC1 ZINC000416972480 514078634 /nfs/dbraw/zinc/07/86/34/514078634.db2.gz IKFYZGLNPDJCIW-NRFANRHFSA-N 1 3 372.557 2.900 20 0 FFADHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000420300353 514079749 /nfs/dbraw/zinc/07/97/49/514079749.db2.gz KCZKFWQYTRZRFX-SJORKVTESA-N 1 3 363.933 2.805 20 0 FFADHO Fc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2cnc3ccccc3c2)cc1 ZINC000423212040 514080076 /nfs/dbraw/zinc/08/00/76/514080076.db2.gz ZMMJJNSLVZTABE-JOCHJYFZSA-N 1 3 364.468 2.958 20 0 FFADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000449154924 514095919 /nfs/dbraw/zinc/09/59/19/514095919.db2.gz ACGAIZNXKFFYDV-CYBMUJFWSA-N 1 3 357.420 2.736 20 0 FFADHO CC(C)c1ccc(CCNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344953 514104662 /nfs/dbraw/zinc/10/46/62/514104662.db2.gz VEJXFZJZWIKRGM-RTWAWAEBSA-N 1 3 357.542 2.790 20 0 FFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345382 514104680 /nfs/dbraw/zinc/10/46/80/514104680.db2.gz WASBTTRKDYREHU-LZLYRXPVSA-N 1 3 361.555 2.905 20 0 FFADHO Cc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420348088 514106145 /nfs/dbraw/zinc/10/61/45/514106145.db2.gz JMNRRYMJLARBTB-LJQANCHMSA-N 1 3 371.916 2.585 20 0 FFADHO CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CCc2ccccc2C1 ZINC000417002287 514108369 /nfs/dbraw/zinc/10/83/69/514108369.db2.gz AMALAFHABLASTJ-JSXRDJHFSA-N 1 3 370.541 2.592 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000417008185 514113409 /nfs/dbraw/zinc/11/34/09/514113409.db2.gz IHSYDNYZSUZXOO-NHCUHLMSSA-N 1 3 366.509 2.823 20 0 FFADHO CC[C@@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)N1CCc2ccccc2C1 ZINC000417019749 514123438 /nfs/dbraw/zinc/12/34/38/514123438.db2.gz RCFCBGWSFYNSOL-JXFKEZNVSA-N 1 3 358.530 2.592 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000417021551 514124676 /nfs/dbraw/zinc/12/46/76/514124676.db2.gz GTEWNPUBINPQLP-HXUWFJFHSA-N 1 3 358.530 2.685 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000423397565 514127935 /nfs/dbraw/zinc/12/79/35/514127935.db2.gz SOOHRDKTQSBYIE-VCOUNFBDSA-N 1 3 355.526 2.889 20 0 FFADHO CCCN(C(=O)NCCCN1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417033106 514131800 /nfs/dbraw/zinc/13/18/00/514131800.db2.gz RFGGUELZFONJDW-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO COC[C@]1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCCN1 ZINC000423421159 514136491 /nfs/dbraw/zinc/13/64/91/514136491.db2.gz JWGHWBRDHUUAIA-IAGOWNOFSA-N 1 3 353.304 2.665 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423422661 514138294 /nfs/dbraw/zinc/13/82/94/514138294.db2.gz DAOPLWDKJDWMKJ-MOPGFXCFSA-N 1 3 361.530 2.672 20 0 FFADHO CN1CCC(C[NH2+]Cc2cc3ccccc3s2)(N2CCOCC2)CC1 ZINC000414480861 514144516 /nfs/dbraw/zinc/14/45/16/514144516.db2.gz KAOYGSMMNROBBJ-UHFFFAOYSA-N 1 3 359.539 2.788 20 0 FFADHO CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423469086 514147764 /nfs/dbraw/zinc/14/77/64/514147764.db2.gz YKGXZHRUYQLHOO-SCTDSRPQSA-N 1 3 351.441 2.652 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cc(F)cc(Br)c2)CC1(C)C ZINC000449299998 514152789 /nfs/dbraw/zinc/15/27/89/514152789.db2.gz CAGKWZBJHJXFCN-UHFFFAOYSA-N 1 3 358.299 2.704 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000417086330 514161355 /nfs/dbraw/zinc/16/13/55/514161355.db2.gz FDJVLGIFBXXDGL-MRXNPFEDSA-N 1 3 358.530 2.592 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449332210 514170153 /nfs/dbraw/zinc/17/01/53/514170153.db2.gz CIIBDOUUXSFYAO-AAIMPIBUSA-N 1 3 363.505 2.869 20 0 FFADHO CCC1(C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCOCC1 ZINC000414556143 514177481 /nfs/dbraw/zinc/17/74/81/514177481.db2.gz NNCVIOVROIZNCS-UHFFFAOYSA-N 1 3 373.541 2.680 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427319062 514181934 /nfs/dbraw/zinc/18/19/34/514181934.db2.gz GMFPZMGQFUSTCZ-AZUAARDMSA-N 1 3 361.530 2.592 20 0 FFADHO COCCN(C)CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427319065 514182680 /nfs/dbraw/zinc/18/26/80/514182680.db2.gz GMFPZMGQFUSTCZ-UYAOXDASSA-N 1 3 361.530 2.592 20 0 FFADHO O=C([C@H]1C[C@]12CC[NH2+]C2)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423749869 514217528 /nfs/dbraw/zinc/21/75/28/514217528.db2.gz CQOFPXGILVTXSR-QUCCMNQESA-N 1 3 361.917 2.764 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1)C1CC1 ZINC000432548197 514225720 /nfs/dbraw/zinc/22/57/20/514225720.db2.gz COIHESLZHZAGJF-GOSISDBHSA-N 1 3 373.541 2.902 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1)C1CC1 ZINC000432548197 514225725 /nfs/dbraw/zinc/22/57/25/514225725.db2.gz COIHESLZHZAGJF-GOSISDBHSA-N 1 3 373.541 2.902 20 0 FFADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423791107 514228728 /nfs/dbraw/zinc/22/87/28/514228728.db2.gz GSRSDUJABZGIAJ-UFYCRDLUSA-N 1 3 358.530 2.660 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437772038 514232571 /nfs/dbraw/zinc/23/25/71/514232571.db2.gz ILAUBGHIQUXPKI-HKUYNNGSSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437772038 514232575 /nfs/dbraw/zinc/23/25/75/514232575.db2.gz ILAUBGHIQUXPKI-HKUYNNGSSA-N 1 3 350.551 2.957 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000414679322 514238979 /nfs/dbraw/zinc/23/89/79/514238979.db2.gz ZKHSQTSOXCGEBI-OAQYLSRUSA-N 1 3 351.494 2.886 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000417221192 514242089 /nfs/dbraw/zinc/24/20/89/514242089.db2.gz NMGPZTOXRVWTPC-UYAOXDASSA-N 1 3 370.541 2.997 20 0 FFADHO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414684555 514242891 /nfs/dbraw/zinc/24/28/91/514242891.db2.gz VXWPZGVZPOTJIS-FXAWDEMLSA-N 1 3 359.514 2.810 20 0 FFADHO COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414684555 514242895 /nfs/dbraw/zinc/24/28/95/514242895.db2.gz VXWPZGVZPOTJIS-FXAWDEMLSA-N 1 3 359.514 2.810 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000414703819 514250328 /nfs/dbraw/zinc/25/03/28/514250328.db2.gz MIBZCOMPRYKOJG-OAHLLOKOSA-N 1 3 365.468 2.907 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000414703819 514250335 /nfs/dbraw/zinc/25/03/35/514250335.db2.gz MIBZCOMPRYKOJG-OAHLLOKOSA-N 1 3 365.468 2.907 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)c(C)c2)CC1 ZINC000414729231 514261243 /nfs/dbraw/zinc/26/12/43/514261243.db2.gz COOXLIIEOJITNG-DYESRHJHSA-N 1 3 373.545 2.586 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423855165 514263951 /nfs/dbraw/zinc/26/39/51/514263951.db2.gz YOENOWBOQRMKEQ-QGZVFWFLSA-N 1 3 351.494 2.625 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])c(C)c2)CC1 ZINC000414750567 514272046 /nfs/dbraw/zinc/27/20/46/514272046.db2.gz LXKWUOSNXUNWGT-FXAWDEMLSA-N 1 3 373.545 2.776 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000414752805 514273478 /nfs/dbraw/zinc/27/34/78/514273478.db2.gz PJPPBRUVPQRDHS-KRWDZBQOSA-N 1 3 361.534 2.776 20 0 FFADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000414755732 514275648 /nfs/dbraw/zinc/27/56/48/514275648.db2.gz PNGSTNRBYCKXQA-KSSFIOAISA-N 1 3 351.441 2.689 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000423893433 514278547 /nfs/dbraw/zinc/27/85/47/514278547.db2.gz KXPNRTYPRJFEOL-IHPCNDPISA-N 1 3 359.514 2.856 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000423938420 514297009 /nfs/dbraw/zinc/29/70/09/514297009.db2.gz JDOXSALWFLMLEO-LJQANCHMSA-N 1 3 355.482 2.619 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417363396 514313546 /nfs/dbraw/zinc/31/35/46/514313546.db2.gz KJIAEYICHMIJMN-HOTGVXAUSA-N 1 3 352.548 2.777 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417372685 514318589 /nfs/dbraw/zinc/31/85/89/514318589.db2.gz WHALKKVRBSISIK-HOTGVXAUSA-N 1 3 352.548 2.777 20 0 FFADHO N[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000417389681 514327456 /nfs/dbraw/zinc/32/74/56/514327456.db2.gz XUZLJSPLLAWFTG-LJQANCHMSA-N 1 3 372.538 2.959 20 0 FFADHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000414891211 514343706 /nfs/dbraw/zinc/34/37/06/514343706.db2.gz VQUDUGZVZACPFH-FQEVSTJZSA-N 1 3 368.481 2.636 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000424142617 514397184 /nfs/dbraw/zinc/39/71/84/514397184.db2.gz INVYHYJCZOEFDQ-DRPJVOAASA-N 1 3 355.404 2.552 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N(C)Cc1ccccc1 ZINC000417563851 514409723 /nfs/dbraw/zinc/40/97/23/514409723.db2.gz DTHZUWLRWQGBQR-XLIONFOSSA-N 1 3 358.530 2.538 20 0 FFADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415063558 514423749 /nfs/dbraw/zinc/42/37/49/514423749.db2.gz AFULIGQIJOWEKZ-SJLPKXTDSA-N 1 3 362.543 2.527 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415065169 514424259 /nfs/dbraw/zinc/42/42/59/514424259.db2.gz FQQZNMSVTZWTBX-UHFFFAOYSA-N 1 3 364.559 2.727 20 0 FFADHO C[C@H]1NCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H]1C ZINC000417621728 514440939 /nfs/dbraw/zinc/44/09/39/514440939.db2.gz LCFRGCKVPGWNAN-QZTJIDSGSA-N 1 3 358.530 2.954 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCCC1 ZINC000417626172 514441705 /nfs/dbraw/zinc/44/17/05/514441705.db2.gz NICATGAPGZFNCN-KRWDZBQOSA-N 1 3 368.591 2.570 20 0 FFADHO C[C@H](OCCCNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424289022 514446818 /nfs/dbraw/zinc/44/68/18/514446818.db2.gz LHCAAJDCTWWPBE-MOPGFXCFSA-N 1 3 373.541 2.735 20 0 FFADHO C[C@@](Cc1ccccc1)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415135087 514462064 /nfs/dbraw/zinc/46/20/64/514462064.db2.gz FMIVYOIBZIILII-REWPJTCUSA-N 1 3 365.521 2.931 20 0 FFADHO Brc1cccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415141779 514466233 /nfs/dbraw/zinc/46/62/33/514466233.db2.gz PYPIRRZZSBVWIE-QGZVFWFLSA-N 1 3 352.320 2.755 20 0 FFADHO CC(C)c1ccc(CCN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415145408 514468127 /nfs/dbraw/zinc/46/81/27/514468127.db2.gz XCGFOCKMCIBGBQ-LEWJYISDSA-N 1 3 370.541 2.573 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453101204 514543854 /nfs/dbraw/zinc/54/38/54/514543854.db2.gz NLPGFZYXJIFRET-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453101204 514543864 /nfs/dbraw/zinc/54/38/64/514543864.db2.gz NLPGFZYXJIFRET-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H](NCCCN1CCC[N@H+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453101204 514543870 /nfs/dbraw/zinc/54/38/70/514543870.db2.gz NLPGFZYXJIFRET-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453101204 514543878 /nfs/dbraw/zinc/54/38/78/514543878.db2.gz NLPGFZYXJIFRET-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCN1C ZINC000466048631 514547636 /nfs/dbraw/zinc/54/76/36/514547636.db2.gz JQUITRZUQZHDPQ-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCN1C ZINC000466048631 514547640 /nfs/dbraw/zinc/54/76/40/514547640.db2.gz JQUITRZUQZHDPQ-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475105718 514559989 /nfs/dbraw/zinc/55/99/89/514559989.db2.gz FCHDILJNAVGDML-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475105718 514559996 /nfs/dbraw/zinc/55/99/96/514559996.db2.gz FCHDILJNAVGDML-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475138803 514569950 /nfs/dbraw/zinc/56/99/50/514569950.db2.gz WHFHLKVWXPLFTB-AABGKKOBSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475138803 514569953 /nfs/dbraw/zinc/56/99/53/514569953.db2.gz WHFHLKVWXPLFTB-AABGKKOBSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(-c2ccccc2)nn1C ZINC000453218283 514572185 /nfs/dbraw/zinc/57/21/85/514572185.db2.gz PPVYTFNUSMMQRV-KRWDZBQOSA-N 1 3 355.530 2.764 20 0 FFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(-c2ccccc2)nn1C ZINC000453218284 514572718 /nfs/dbraw/zinc/57/27/18/514572718.db2.gz PPVYTFNUSMMQRV-QGZVFWFLSA-N 1 3 355.530 2.764 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466214971 514579088 /nfs/dbraw/zinc/57/90/88/514579088.db2.gz DBTBBMKBNOXUQR-NTDBWNAOSA-N 1 3 350.551 2.526 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466214971 514579094 /nfs/dbraw/zinc/57/90/94/514579094.db2.gz DBTBBMKBNOXUQR-NTDBWNAOSA-N 1 3 350.551 2.526 20 0 FFADHO CC1CCC(N2CCN(C(=O)NC3CC[NH+](C4CCC4)CC3)CC2)CC1 ZINC000455554176 514587815 /nfs/dbraw/zinc/58/78/15/514587815.db2.gz GYNQNXJEMSTDSJ-UHFFFAOYSA-N 1 3 362.562 2.909 20 0 FFADHO CC/C=C\CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453331032 514602092 /nfs/dbraw/zinc/60/20/92/514602092.db2.gz VJANUSBYWCLRMV-WLMCBFPDSA-N 1 3 353.532 2.533 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)C1CC1 ZINC000458192371 514615005 /nfs/dbraw/zinc/61/50/05/514615005.db2.gz HQHRUVWVFIYBBQ-GOSISDBHSA-N 1 3 364.559 2.795 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)C1CC1 ZINC000458192371 514615009 /nfs/dbraw/zinc/61/50/09/514615009.db2.gz HQHRUVWVFIYBBQ-GOSISDBHSA-N 1 3 364.559 2.795 20 0 FFADHO C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000507958140 514623245 /nfs/dbraw/zinc/62/32/45/514623245.db2.gz VMUASYSWPBNWMN-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CN(CCN1CCCC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000497761262 514628049 /nfs/dbraw/zinc/62/80/49/514628049.db2.gz JRUDWZKQOYUSFO-UHFFFAOYSA-N 1 3 350.551 2.912 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCCCC[N@H+](C)C3CC3)CC2)CC1 ZINC000455627072 514643293 /nfs/dbraw/zinc/64/32/93/514643293.db2.gz ZFJBLULRLOBSLG-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCCCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000455627072 514643300 /nfs/dbraw/zinc/64/33/00/514643300.db2.gz ZFJBLULRLOBSLG-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@H]2CCCCN12 ZINC000453456057 514650755 /nfs/dbraw/zinc/65/07/55/514650755.db2.gz VAEPIDHMLHGNGF-PFAUGDHASA-N 1 3 353.510 2.640 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000497842781 514654837 /nfs/dbraw/zinc/65/48/37/514654837.db2.gz LTXKXRYUTDVCFD-MOPGFXCFSA-N 1 3 364.509 2.992 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000497842781 514654846 /nfs/dbraw/zinc/65/48/46/514654846.db2.gz LTXKXRYUTDVCFD-MOPGFXCFSA-N 1 3 364.509 2.992 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488981366 514659862 /nfs/dbraw/zinc/65/98/62/514659862.db2.gz MZCLLNTVGFSKSX-RCCFBDPRSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488981366 514659872 /nfs/dbraw/zinc/65/98/72/514659872.db2.gz MZCLLNTVGFSKSX-RCCFBDPRSA-N 1 3 350.551 2.765 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470892727 514659783 /nfs/dbraw/zinc/65/97/83/514659783.db2.gz UGCRSQVOAAQKMS-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470892727 514659793 /nfs/dbraw/zinc/65/97/93/514659793.db2.gz UGCRSQVOAAQKMS-RBUKOAKNSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000466542056 514682789 /nfs/dbraw/zinc/68/27/89/514682789.db2.gz LSAQEYBGTMVIFS-MBOZVWFJSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000466542056 514682799 /nfs/dbraw/zinc/68/27/99/514682799.db2.gz LSAQEYBGTMVIFS-MBOZVWFJSA-N 1 3 358.530 2.679 20 0 FFADHO O=C1[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1c1ccccc1 ZINC000471007233 514715193 /nfs/dbraw/zinc/71/51/93/514715193.db2.gz PKGZFUQHMRWARD-RZUBCFFCSA-N 1 3 361.489 2.856 20 0 FFADHO O=C1[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1c1ccccc1 ZINC000471007233 514715203 /nfs/dbraw/zinc/71/52/03/514715203.db2.gz PKGZFUQHMRWARD-RZUBCFFCSA-N 1 3 361.489 2.856 20 0 FFADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000502646837 514726488 /nfs/dbraw/zinc/72/64/88/514726488.db2.gz APADIIYAYASXFE-HBFSDRIKSA-N 1 3 373.541 2.560 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000489270327 514776915 /nfs/dbraw/zinc/77/69/15/514776915.db2.gz NOIHPSRWOCVIBQ-GFOJFJKKSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000489270327 514776923 /nfs/dbraw/zinc/77/69/23/514776923.db2.gz NOIHPSRWOCVIBQ-GFOJFJKKSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000462015784 514832348 /nfs/dbraw/zinc/83/23/48/514832348.db2.gz PLWKHAAUDGGVBO-INIZCTEOSA-N 1 3 352.498 2.628 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000462015784 514832359 /nfs/dbraw/zinc/83/23/59/514832359.db2.gz PLWKHAAUDGGVBO-INIZCTEOSA-N 1 3 352.498 2.628 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000466932780 514833091 /nfs/dbraw/zinc/83/30/91/514833091.db2.gz LZQMTEGCVDVNST-WSTZPKSXSA-N 1 3 362.562 2.767 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1)C1CC1 ZINC000480276803 514906231 /nfs/dbraw/zinc/90/62/31/514906231.db2.gz VENZCBVRRASKDF-HXUWFJFHSA-N 1 3 361.555 2.838 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1)C1CC1 ZINC000480276803 514906237 /nfs/dbraw/zinc/90/62/37/514906237.db2.gz VENZCBVRRASKDF-HXUWFJFHSA-N 1 3 361.555 2.838 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508866794 514927676 /nfs/dbraw/zinc/92/76/76/514927676.db2.gz RYHQAJIOUVDNFW-RNQOJCNYSA-N 1 3 358.530 2.946 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508866794 514927684 /nfs/dbraw/zinc/92/76/84/514927684.db2.gz RYHQAJIOUVDNFW-RNQOJCNYSA-N 1 3 358.530 2.946 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000508872856 514931575 /nfs/dbraw/zinc/93/15/75/514931575.db2.gz SJKOCUJCTNUFQC-DFQSSKMNSA-N 1 3 358.530 2.948 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000467208248 514941759 /nfs/dbraw/zinc/94/17/59/514941759.db2.gz RHRKPXBQRYJJCS-OXJNMPFZSA-N 1 3 359.514 2.620 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000485276233 514981292 /nfs/dbraw/zinc/98/12/92/514981292.db2.gz OWAMRRAHLACVFO-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000485276233 514981296 /nfs/dbraw/zinc/98/12/96/514981296.db2.gz OWAMRRAHLACVFO-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000485390741 515018354 /nfs/dbraw/zinc/01/83/54/515018354.db2.gz VDUVNBOMWLMBMB-CMKODMSKSA-N 1 3 358.530 2.805 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000485390741 515018365 /nfs/dbraw/zinc/01/83/65/515018365.db2.gz VDUVNBOMWLMBMB-CMKODMSKSA-N 1 3 358.530 2.805 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)N1CCc2ccccc2C1 ZINC000485398412 515024788 /nfs/dbraw/zinc/02/47/88/515024788.db2.gz KPKGCTGPALCGPH-RXVVDRJESA-N 1 3 372.557 2.807 20 0 FFADHO CC[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)N1CCc2ccccc2C1 ZINC000485398412 515024797 /nfs/dbraw/zinc/02/47/97/515024797.db2.gz KPKGCTGPALCGPH-RXVVDRJESA-N 1 3 372.557 2.807 20 0 FFADHO CC1CCN(CCNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000503442445 515034563 /nfs/dbraw/zinc/03/45/63/515034563.db2.gz KBTPWWAZIWOXMY-FQEVSTJZSA-N 1 3 364.578 2.872 20 0 FFADHO C[C@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CCN(C2CCC2)C1 ZINC000490003221 515065576 /nfs/dbraw/zinc/06/55/76/515065576.db2.gz URIHJZZDWOXIIS-QGZVFWFLSA-N 1 3 350.551 2.624 20 0 FFADHO CCC[NH+]1CCC(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000490184585 515133492 /nfs/dbraw/zinc/13/34/92/515133492.db2.gz LWJKPECRNJDADO-IBGZPJMESA-N 1 3 364.509 2.850 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000490229747 515148355 /nfs/dbraw/zinc/14/83/55/515148355.db2.gz ISDHXARBZQBUCU-IRLDBZIGSA-N 1 3 372.557 2.880 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000490229747 515148361 /nfs/dbraw/zinc/14/83/61/515148361.db2.gz ISDHXARBZQBUCU-IRLDBZIGSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000499056930 515182109 /nfs/dbraw/zinc/18/21/09/515182109.db2.gz RNTLQVMBWMXZTI-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000499056930 515182117 /nfs/dbraw/zinc/18/21/17/515182117.db2.gz RNTLQVMBWMXZTI-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000499056930 515182125 /nfs/dbraw/zinc/18/21/25/515182125.db2.gz RNTLQVMBWMXZTI-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000499056930 515182134 /nfs/dbraw/zinc/18/21/34/515182134.db2.gz RNTLQVMBWMXZTI-UDKICSLYSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000485813627 515199761 /nfs/dbraw/zinc/19/97/61/515199761.db2.gz OJSQWJSUVPBKLY-UXPWSPDFSA-N 1 3 357.542 2.773 20 0 FFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000485813627 515199767 /nfs/dbraw/zinc/19/97/67/515199767.db2.gz OJSQWJSUVPBKLY-UXPWSPDFSA-N 1 3 357.542 2.773 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000481109871 515210645 /nfs/dbraw/zinc/21/06/45/515210645.db2.gz DLSMWPXDNDXBNI-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000481109871 515210654 /nfs/dbraw/zinc/21/06/54/515210654.db2.gz DLSMWPXDNDXBNI-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000458937796 515215026 /nfs/dbraw/zinc/21/50/26/515215026.db2.gz OEFDIARUAXYBIX-PMACEKPBSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000458937796 515215030 /nfs/dbraw/zinc/21/50/30/515215030.db2.gz OEFDIARUAXYBIX-PMACEKPBSA-N 1 3 364.578 2.870 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000509566581 515234679 /nfs/dbraw/zinc/23/46/79/515234679.db2.gz GGAWGHDPEMYRFM-YESZJQIVSA-N 1 3 350.507 2.882 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000509566581 515234689 /nfs/dbraw/zinc/23/46/89/515234689.db2.gz GGAWGHDPEMYRFM-YESZJQIVSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000509581385 515243215 /nfs/dbraw/zinc/24/32/15/515243215.db2.gz BTYHKIWZTUFQLU-LUKYLMHMSA-N 1 3 350.507 2.833 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000509581385 515243223 /nfs/dbraw/zinc/24/32/23/515243223.db2.gz BTYHKIWZTUFQLU-LUKYLMHMSA-N 1 3 350.507 2.833 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000459045365 515284546 /nfs/dbraw/zinc/28/45/46/515284546.db2.gz SUYYVCONDULRRT-AWEZNQCLSA-N 1 3 374.451 2.729 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)CC1 ZINC000490871235 515321649 /nfs/dbraw/zinc/32/16/49/515321649.db2.gz OROLJQSSPZBYPA-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N(C)C ZINC000491170870 515390157 /nfs/dbraw/zinc/39/01/57/515390157.db2.gz IEDPOIUYQDTOKK-HFSMHLIXSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N(C)C ZINC000491170870 515390166 /nfs/dbraw/zinc/39/01/66/515390166.db2.gz IEDPOIUYQDTOKK-HFSMHLIXSA-N 1 3 358.530 2.723 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000504889065 515403058 /nfs/dbraw/zinc/40/30/58/515403058.db2.gz MSURVGDBCSVWEW-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000504889065 515403066 /nfs/dbraw/zinc/40/30/66/515403066.db2.gz MSURVGDBCSVWEW-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000504889065 515403074 /nfs/dbraw/zinc/40/30/74/515403074.db2.gz MSURVGDBCSVWEW-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO CN(C(=O)C1CCN(C2CC2)CC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000486304001 515427863 /nfs/dbraw/zinc/42/78/63/515427863.db2.gz IJIWMGYVWRJRRP-UHFFFAOYSA-N 1 3 371.525 2.998 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@@H]21 ZINC000454483635 515523170 /nfs/dbraw/zinc/52/31/70/515523170.db2.gz KFWTZACMOFBETH-WNTWWTRPSA-N 1 3 368.525 2.528 20 0 FFADHO CN1CC[C@@H]2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@@H]21 ZINC000454483635 515523179 /nfs/dbraw/zinc/52/31/79/515523179.db2.gz KFWTZACMOFBETH-WNTWWTRPSA-N 1 3 368.525 2.528 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000473202293 515536434 /nfs/dbraw/zinc/53/64/34/515536434.db2.gz AJNPEKNOIRVJQX-IFMALSPDSA-N 1 3 367.537 2.910 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000473202293 515536441 /nfs/dbraw/zinc/53/64/41/515536441.db2.gz AJNPEKNOIRVJQX-IFMALSPDSA-N 1 3 367.537 2.910 20 0 FFADHO O[C@H](C(F)F)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459420200 515539262 /nfs/dbraw/zinc/53/92/62/515539262.db2.gz VPLUXHUMYMZXRR-MOPGFXCFSA-N 1 3 361.436 2.877 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)CC(C)C ZINC000468912249 515578292 /nfs/dbraw/zinc/57/82/92/515578292.db2.gz LDVLBJJXDAJYPB-IBGZPJMESA-N 1 3 367.578 2.894 20 0 FFADHO COC(=O)[C@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459498625 515595893 /nfs/dbraw/zinc/59/58/93/515595893.db2.gz VQAADTRFELFZID-OAQYLSRUSA-N 1 3 353.466 2.771 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000510678151 515632651 /nfs/dbraw/zinc/63/26/51/515632651.db2.gz BECQLTQUIKGVEM-IBGZPJMESA-N 1 3 372.557 2.679 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@@H+]1C ZINC000454648516 515637484 /nfs/dbraw/zinc/63/74/84/515637484.db2.gz RSLDRTKTLMIUIO-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000454648516 515637493 /nfs/dbraw/zinc/63/74/93/515637493.db2.gz RSLDRTKTLMIUIO-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000493541078 515641923 /nfs/dbraw/zinc/64/19/23/515641923.db2.gz DHOOQZBFUMWPST-GHTZIAJQSA-N 1 3 355.526 2.730 20 0 FFADHO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000454655590 515646046 /nfs/dbraw/zinc/64/60/46/515646046.db2.gz OYTAGGVWTRQXAZ-UHFFFAOYSA-N 1 3 364.559 2.740 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)ccn1 ZINC000464071988 515702699 /nfs/dbraw/zinc/70/26/99/515702699.db2.gz XVXRESHMFZUKSO-PWRODBHTSA-N 1 3 372.557 2.779 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000500547795 515762739 /nfs/dbraw/zinc/76/27/39/515762739.db2.gz YZSPALZGUWGRKL-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000473964890 515823031 /nfs/dbraw/zinc/82/30/31/515823031.db2.gz QARWOFGRRKYDTM-LMMKCTJWSA-N 1 3 370.541 2.679 20 0 FFADHO CC[C@@H]1CN(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000494445791 515846008 /nfs/dbraw/zinc/84/60/08/515846008.db2.gz KSHVPDBCPVGDCO-DXBBTUNJSA-N 1 3 357.542 2.597 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000494445791 515846021 /nfs/dbraw/zinc/84/60/21/515846021.db2.gz KSHVPDBCPVGDCO-DXBBTUNJSA-N 1 3 357.542 2.597 20 0 FFADHO CC[C@@H]1CN(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000494445791 515846033 /nfs/dbraw/zinc/84/60/33/515846033.db2.gz KSHVPDBCPVGDCO-DXBBTUNJSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454967048 515862845 /nfs/dbraw/zinc/86/28/45/515862845.db2.gz WBODFWIZWSIPBF-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CCN1Cc1ccccc1 ZINC000454967048 515862856 /nfs/dbraw/zinc/86/28/56/515862856.db2.gz WBODFWIZWSIPBF-PXNSSMCTSA-N 1 3 358.530 2.823 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NCC(C)(C)C[NH+]3CCCC3)cc2)CC1 ZINC000482980465 515869340 /nfs/dbraw/zinc/86/93/40/515869340.db2.gz JMLQBDDRSWOORE-UHFFFAOYSA-N 1 3 372.557 2.680 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000500829840 515875179 /nfs/dbraw/zinc/87/51/79/515875179.db2.gz AGGZDHFKIBUDHM-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000500829840 515875186 /nfs/dbraw/zinc/87/51/86/515875186.db2.gz AGGZDHFKIBUDHM-UXHICEINSA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000469577335 515876678 /nfs/dbraw/zinc/87/66/78/515876678.db2.gz XRYMAUMDCJLURP-HXUWFJFHSA-N 1 3 372.557 2.775 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000469577335 515876687 /nfs/dbraw/zinc/87/66/87/515876687.db2.gz XRYMAUMDCJLURP-HXUWFJFHSA-N 1 3 372.557 2.775 20 0 FFADHO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000511457042 515911982 /nfs/dbraw/zinc/91/19/82/515911982.db2.gz BYCWCKURFWQFTO-QZTJIDSGSA-N 1 3 365.468 2.696 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000501047280 515952574 /nfs/dbraw/zinc/95/25/74/515952574.db2.gz OGPILLPMDAOQPF-OTWHNJEPSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000501047280 515952582 /nfs/dbraw/zinc/95/25/82/515952582.db2.gz OGPILLPMDAOQPF-OTWHNJEPSA-N 1 3 352.567 2.918 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCN1CCCCC1)C1CC1 ZINC000478841282 515981880 /nfs/dbraw/zinc/98/18/80/515981880.db2.gz UXFAJHFCTVIJLZ-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCN1CCCCC1)C1CC1 ZINC000478841282 515981889 /nfs/dbraw/zinc/98/18/89/515981889.db2.gz UXFAJHFCTVIJLZ-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000487816887 515988601 /nfs/dbraw/zinc/98/86/01/515988601.db2.gz FEBQWDOXMTZWOD-GUDVDZBRSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)[C@H](CNC(=O)N[C@H](C)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000501189313 516010192 /nfs/dbraw/zinc/01/01/92/516010192.db2.gz URDUQDNIQULEML-MOPGFXCFSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000464927289 516016965 /nfs/dbraw/zinc/01/69/65/516016965.db2.gz RVQXDXXLXRQUQW-GHTZIAJQSA-N 1 3 357.542 2.882 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[NH2+]1 ZINC000478962285 516020275 /nfs/dbraw/zinc/02/02/75/516020275.db2.gz ONYPYUJKJJJZPQ-QRFRQXIXSA-N 1 3 357.542 2.964 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000460133174 516039607 /nfs/dbraw/zinc/03/96/07/516039607.db2.gz VWCMWMBBDHJSCK-HDICACEKSA-N 1 3 353.551 2.504 20 0 FFADHO [NH3+]CCc1nc(C(=O)NCc2ccccc2CN2CCCCC2)cs1 ZINC000479183023 516092769 /nfs/dbraw/zinc/09/27/69/516092769.db2.gz FVLFOLAHMXQROI-UHFFFAOYSA-N 1 3 358.511 2.560 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)N(C)C)cc1 ZINC000479185752 516094704 /nfs/dbraw/zinc/09/47/04/516094704.db2.gz INVTXMCXTOWZMA-VQTJNVASSA-N 1 3 357.473 2.850 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000465266205 516110502 /nfs/dbraw/zinc/11/05/02/516110502.db2.gz WJSNSJPIJCPGSH-HXUWFJFHSA-N 1 3 367.578 2.846 20 0 FFADHO C[C@H]1CCCCN1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501548605 516148258 /nfs/dbraw/zinc/14/82/58/516148258.db2.gz ZOEAKSNRNABPGW-SFHVURJKSA-N 1 3 358.530 2.956 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC000479344931 516158641 /nfs/dbraw/zinc/15/86/41/516158641.db2.gz JGTVVRPMDPKFSA-JTDSTZFVSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC000479344931 516158649 /nfs/dbraw/zinc/15/86/49/516158649.db2.gz JGTVVRPMDPKFSA-JTDSTZFVSA-N 1 3 364.509 2.991 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000495455768 516167436 /nfs/dbraw/zinc/16/74/36/516167436.db2.gz RRINOCXEWYXTCF-MDZRGWNJSA-N 1 3 364.509 2.991 20 0 FFADHO CN(C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000483684576 516168276 /nfs/dbraw/zinc/16/82/76/516168276.db2.gz QDFGWCCEDKQKGQ-LEWJYISDSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000483684576 516168283 /nfs/dbraw/zinc/16/82/83/516168283.db2.gz QDFGWCCEDKQKGQ-LEWJYISDSA-N 1 3 370.541 2.775 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483682670 516169072 /nfs/dbraw/zinc/16/90/72/516169072.db2.gz NCPHKCJCFYXWDP-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO CN(CCN1CCCC1)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483682670 516169080 /nfs/dbraw/zinc/16/90/80/516169080.db2.gz NCPHKCJCFYXWDP-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479379336 516170975 /nfs/dbraw/zinc/17/09/75/516170975.db2.gz RQKPIKZYLPDBKH-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479379336 516170987 /nfs/dbraw/zinc/17/09/87/516170987.db2.gz RQKPIKZYLPDBKH-GGPKGHCWSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000465535038 516182927 /nfs/dbraw/zinc/18/29/27/516182927.db2.gz VRNFOAKTSVEKKL-ROUUACIJSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+]1CCC[C@H](C)C1 ZINC000465535038 516182935 /nfs/dbraw/zinc/18/29/35/516182935.db2.gz VRNFOAKTSVEKKL-ROUUACIJSA-N 1 3 372.557 2.505 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000507383217 516196679 /nfs/dbraw/zinc/19/66/79/516196679.db2.gz SFWCWRJHYPZKOM-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000507383217 516196684 /nfs/dbraw/zinc/19/66/84/516196684.db2.gz SFWCWRJHYPZKOM-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483767059 516205431 /nfs/dbraw/zinc/20/54/31/516205431.db2.gz CCHALNDPOFTALI-IRXDYDNUSA-N 1 3 350.551 2.956 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470376003 516227041 /nfs/dbraw/zinc/22/70/41/516227041.db2.gz PVZVXALTZSQCCD-OAHLLOKOSA-N 1 3 350.466 2.640 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000457936205 516241005 /nfs/dbraw/zinc/24/10/05/516241005.db2.gz SHZQJXSIOQPSDI-HOJAQTOUSA-N 1 3 358.530 2.946 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000457936205 516241011 /nfs/dbraw/zinc/24/10/11/516241011.db2.gz SHZQJXSIOQPSDI-HOJAQTOUSA-N 1 3 358.530 2.946 20 0 FFADHO CC(C)[NH+]1CCN(CCCN[C@@H](CO)c2cccc(Cl)c2F)CC1 ZINC000501868607 516250175 /nfs/dbraw/zinc/25/01/75/516250175.db2.gz CHEUGTYXORLVJY-KRWDZBQOSA-N 1 3 357.901 2.518 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C2)C1 ZINC000488545115 516256003 /nfs/dbraw/zinc/25/60/03/516256003.db2.gz ONEFWFXGBMNDFW-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C2)C1 ZINC000488545115 516256009 /nfs/dbraw/zinc/25/60/09/516256009.db2.gz ONEFWFXGBMNDFW-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CC[N@@H+]1C ZINC000465802334 516260627 /nfs/dbraw/zinc/26/06/27/516260627.db2.gz BPDQVPMZDOVRCA-RDJZCZTQSA-N 1 3 364.559 2.742 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CC[N@H+]1C ZINC000465802334 516260631 /nfs/dbraw/zinc/26/06/31/516260631.db2.gz BPDQVPMZDOVRCA-RDJZCZTQSA-N 1 3 364.559 2.742 20 0 FFADHO OCC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CCOCC1 ZINC000461084441 516315046 /nfs/dbraw/zinc/31/50/46/516315046.db2.gz MJFHRSRMDUMGOT-YUMYIRISSA-N 1 3 358.526 2.664 20 0 FFADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512631787 516316121 /nfs/dbraw/zinc/31/61/21/516316121.db2.gz SURSYGGMDRUTGE-XBYSBRQOSA-N 1 3 371.569 2.988 20 0 FFADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512631786 516316618 /nfs/dbraw/zinc/31/66/18/516316618.db2.gz SURSYGGMDRUTGE-JMJGKCIBSA-N 1 3 371.569 2.988 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000535396035 516338895 /nfs/dbraw/zinc/33/88/95/516338895.db2.gz WDJYLOFNGVXCRC-NJDAHSKKSA-N 1 3 370.541 2.805 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000554241020 516339828 /nfs/dbraw/zinc/33/98/28/516339828.db2.gz SCKVZHNEKDHSMC-HOJAQTOUSA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(OC)c3)CC2)CC1 ZINC000561061465 516357678 /nfs/dbraw/zinc/35/76/78/516357678.db2.gz BULAFJKJCPRJHX-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(C)CCCS3)CC2)CC1 ZINC000557653220 516361253 /nfs/dbraw/zinc/36/12/53/516361253.db2.gz MBDHRTKGYWEOAM-LJQANCHMSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000561194365 516442644 /nfs/dbraw/zinc/44/26/44/516442644.db2.gz DJGQNMZDYHOHCQ-QFUCXCTJSA-N 1 3 358.530 2.586 20 0 FFADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000540144295 516455794 /nfs/dbraw/zinc/45/57/94/516455794.db2.gz MTGVIPBSMJONRK-XNJGSVPQSA-N 1 3 353.869 2.904 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CCc3cccn3C)CC2)CC1 ZINC000561266685 516489544 /nfs/dbraw/zinc/48/95/44/516489544.db2.gz UOONFKQOOSGJGR-GOSISDBHSA-N 1 3 374.573 2.659 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)CC1 ZINC000535899092 516548037 /nfs/dbraw/zinc/54/80/37/516548037.db2.gz WMTHWOQVXVPQPT-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000554622393 516549865 /nfs/dbraw/zinc/54/98/65/516549865.db2.gz PXAKVWJMYFWZRL-MISYRCLQSA-N 1 3 356.514 2.529 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)Cc1ccccc1 ZINC000536013410 516591638 /nfs/dbraw/zinc/59/16/38/516591638.db2.gz NMWWKJIDSTVMOM-LJQANCHMSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000523876420 516601559 /nfs/dbraw/zinc/60/15/59/516601559.db2.gz HBWQEYAOYLQCTF-FCGDIQPGSA-N 1 3 352.567 2.772 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000523876420 516601569 /nfs/dbraw/zinc/60/15/69/516601569.db2.gz HBWQEYAOYLQCTF-FCGDIQPGSA-N 1 3 352.567 2.772 20 0 FFADHO CC1CC[NH+](CCNCc2c(Cl)cccc2N2CCN(C)CC2)CC1 ZINC000536130015 516641534 /nfs/dbraw/zinc/64/15/34/516641534.db2.gz WICLXYULWJRYQU-UHFFFAOYSA-N 1 3 364.965 2.913 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)N(C)C ZINC000561553871 516648622 /nfs/dbraw/zinc/64/86/22/516648622.db2.gz JXZQSWSYRSIZKS-HBFSDRIKSA-N 1 3 358.530 2.866 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000536212205 516677726 /nfs/dbraw/zinc/67/77/26/516677726.db2.gz ACIWMNXJTSKIET-WOJBJXKFSA-N 1 3 373.545 2.590 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000536212205 516677733 /nfs/dbraw/zinc/67/77/33/516677733.db2.gz ACIWMNXJTSKIET-WOJBJXKFSA-N 1 3 373.545 2.590 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000536234791 516691262 /nfs/dbraw/zinc/69/12/62/516691262.db2.gz VGZXRPDZWFGBDZ-WOJBJXKFSA-N 1 3 358.530 2.996 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000536234791 516691266 /nfs/dbraw/zinc/69/12/66/516691266.db2.gz VGZXRPDZWFGBDZ-WOJBJXKFSA-N 1 3 358.530 2.996 20 0 FFADHO C[NH+](C)CC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000524370606 516703162 /nfs/dbraw/zinc/70/31/62/516703162.db2.gz UROAGWOVULZYAF-UHFFFAOYSA-N 1 3 355.482 2.983 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@H](C)C1 ZINC000551565314 516763060 /nfs/dbraw/zinc/76/30/60/516763060.db2.gz STGJMMDQWZWGKK-ZBFHGGJFSA-N 1 3 357.445 2.910 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000524658793 516782396 /nfs/dbraw/zinc/78/23/96/516782396.db2.gz KLRVCKKCBJTBNS-VQTJNVASSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000514022745 516835507 /nfs/dbraw/zinc/83/55/07/516835507.db2.gz PVTXIZPWEQFRQH-UYAOXDASSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000514114124 516867974 /nfs/dbraw/zinc/86/79/74/516867974.db2.gz CLEWSSMCKTXROP-RBUKOAKNSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000514114124 516867985 /nfs/dbraw/zinc/86/79/85/516867985.db2.gz CLEWSSMCKTXROP-RBUKOAKNSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000514201692 516901320 /nfs/dbraw/zinc/90/13/20/516901320.db2.gz LBOPVYACEHZICA-AZUAARDMSA-N 1 3 374.573 2.969 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000514201692 516901328 /nfs/dbraw/zinc/90/13/28/516901328.db2.gz LBOPVYACEHZICA-AZUAARDMSA-N 1 3 374.573 2.969 20 0 FFADHO COc1cncc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000514594149 516954280 /nfs/dbraw/zinc/95/42/80/516954280.db2.gz LUVCRLAMKMTBLM-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000519456044 517003735 /nfs/dbraw/zinc/00/37/35/517003735.db2.gz DIEAIODQXVOUFE-LJQANCHMSA-N 1 3 364.534 2.670 20 0 FFADHO CCSc1ccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000525438098 517040448 /nfs/dbraw/zinc/04/04/48/517040448.db2.gz NQBAWRPIBDVHCN-INIZCTEOSA-N 1 3 366.575 2.994 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)C2)c1 ZINC000552048298 517049812 /nfs/dbraw/zinc/04/98/12/517049812.db2.gz NXARWBKBDPKYPY-JWOSDPRPSA-N 1 3 359.514 2.745 20 0 FFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)C2)c1 ZINC000552048298 517049820 /nfs/dbraw/zinc/04/98/20/517049820.db2.gz NXARWBKBDPKYPY-JWOSDPRPSA-N 1 3 359.514 2.745 20 0 FFADHO C[C@@H](Cc1ccc(Cl)cc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552064683 517058948 /nfs/dbraw/zinc/05/89/48/517058948.db2.gz HZWMJFNFHIFWJA-INIZCTEOSA-N 1 3 351.922 2.853 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1cccs1 ZINC000529312484 517071358 /nfs/dbraw/zinc/07/13/58/517071358.db2.gz CGPXORTWWRKWJD-DJIMGWMZSA-N 1 3 362.543 2.715 20 0 FFADHO C[C@@H](CCNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000541521282 517091587 /nfs/dbraw/zinc/09/15/87/517091587.db2.gz USNBRKVLWKGLRX-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000515058157 517193174 /nfs/dbraw/zinc/19/31/74/517193174.db2.gz KWTGPJTZHIXVKT-UTKZUKDTSA-N 1 3 366.509 2.998 20 0 FFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCOCC1 ZINC000519809896 517194511 /nfs/dbraw/zinc/19/45/11/517194511.db2.gz HPUSXMQFKGIYSU-NRFANRHFSA-N 1 3 373.541 2.679 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000562639102 517259903 /nfs/dbraw/zinc/25/99/03/517259903.db2.gz DYIKUSGJMUULGZ-ZDUSSCGKSA-N 1 3 351.878 2.703 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000562639102 517259909 /nfs/dbraw/zinc/25/99/09/517259909.db2.gz DYIKUSGJMUULGZ-ZDUSSCGKSA-N 1 3 351.878 2.703 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000552518211 517292286 /nfs/dbraw/zinc/29/22/86/517292286.db2.gz WOZANAZFHCPELX-PMACEKPBSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000552518211 517292296 /nfs/dbraw/zinc/29/22/96/517292296.db2.gz WOZANAZFHCPELX-PMACEKPBSA-N 1 3 357.498 2.599 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000548919405 517302775 /nfs/dbraw/zinc/30/27/75/517302775.db2.gz PCDPRAHIKNKUKF-IAGOWNOFSA-N 1 3 364.559 2.915 20 0 FFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000548919405 517302785 /nfs/dbraw/zinc/30/27/85/517302785.db2.gz PCDPRAHIKNKUKF-IAGOWNOFSA-N 1 3 364.559 2.915 20 0 FFADHO CN1CCC2(CC1)C[C@@H](NC(=O)CCCC[NH+](C)C)c1ccccc1O2 ZINC000552553203 517304608 /nfs/dbraw/zinc/30/46/08/517304608.db2.gz GDTKCCUEAGWPIL-GOSISDBHSA-N 1 3 359.514 2.823 20 0 FFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000520377881 517368739 /nfs/dbraw/zinc/36/87/39/517368739.db2.gz SWCOBSJMONDFSC-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000520377881 517368746 /nfs/dbraw/zinc/36/87/46/517368746.db2.gz SWCOBSJMONDFSC-VQTJNVASSA-N 1 3 358.530 2.997 20 0 FFADHO CCc1nncn1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000562778008 517388224 /nfs/dbraw/zinc/38/82/24/517388224.db2.gz FUEYYZAGLGNULE-XUVXKRRUSA-N 1 3 353.514 2.873 20 0 FFADHO CCc1nncn1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000562778008 517388230 /nfs/dbraw/zinc/38/82/30/517388230.db2.gz FUEYYZAGLGNULE-XUVXKRRUSA-N 1 3 353.514 2.873 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000562818971 517430805 /nfs/dbraw/zinc/43/08/05/517430805.db2.gz TURVWRSULRFUTL-SLFFLAALSA-N 1 3 370.541 2.810 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C3CCN(C(C)(C)C)CC3)c2cc1C ZINC000552911606 517440138 /nfs/dbraw/zinc/44/01/38/517440138.db2.gz IFXVHOLRZFSJPE-SFHVURJKSA-N 1 3 358.530 2.867 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000515830568 517487558 /nfs/dbraw/zinc/48/75/58/517487558.db2.gz FCNBPWSMSPTCLX-IBGZPJMESA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H](CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)N1CCCCC1 ZINC000559922210 517489882 /nfs/dbraw/zinc/48/98/82/517489882.db2.gz QLQOJGUWGFAOBT-LSDHHAIUSA-N 1 3 370.335 2.853 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000530025428 517504973 /nfs/dbraw/zinc/50/49/73/517504973.db2.gz DQLCEWONCORLGV-SFTDATJTSA-N 1 3 355.526 2.999 20 0 FFADHO Cc1cc2ncn(C[C@H](O)CNC[C@@H](C)C[NH+]3CCCCC3)c2cc1C ZINC000562985743 517558422 /nfs/dbraw/zinc/55/84/22/517558422.db2.gz RFRNXCMXJMBXDU-VQIMIIECSA-N 1 3 358.530 2.726 20 0 FFADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@@H](C)CN3CCCCC3)c2cc1C ZINC000562985743 517558427 /nfs/dbraw/zinc/55/84/27/517558427.db2.gz RFRNXCMXJMBXDU-VQIMIIECSA-N 1 3 358.530 2.726 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000516242590 517632635 /nfs/dbraw/zinc/63/26/35/517632635.db2.gz QUQXDTOQNWPDOQ-DMUMMCEESA-N 1 3 360.546 2.955 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000516242590 517632644 /nfs/dbraw/zinc/63/26/44/517632644.db2.gz QUQXDTOQNWPDOQ-DMUMMCEESA-N 1 3 360.546 2.955 20 0 FFADHO CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000530224241 517637483 /nfs/dbraw/zinc/63/74/83/517637483.db2.gz LEIAKQKLDFAROQ-IPJJNNNSSA-N 1 3 363.461 2.659 20 0 FFADHO Cc1ccc2c(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000530242415 517649155 /nfs/dbraw/zinc/64/91/55/517649155.db2.gz UQRKGQNNZCDFES-GOSISDBHSA-N 1 3 356.466 2.692 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1coc2ccccc12 ZINC000556810946 517674592 /nfs/dbraw/zinc/67/45/92/517674592.db2.gz SHSBQVPRGDQWAI-SFHVURJKSA-N 1 3 357.498 2.850 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1coc2ccccc12 ZINC000556810946 517674597 /nfs/dbraw/zinc/67/45/97/517674597.db2.gz SHSBQVPRGDQWAI-SFHVURJKSA-N 1 3 357.498 2.850 20 0 FFADHO c1ccc(-c2nnn(CCCCCN3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563149488 517693237 /nfs/dbraw/zinc/69/32/37/517693237.db2.gz FUSHEHQDVROYTQ-HXUWFJFHSA-N 1 3 354.502 2.586 20 0 FFADHO c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@]4(C3)CCCNC4)n2)cc1 ZINC000563149488 517693249 /nfs/dbraw/zinc/69/32/49/517693249.db2.gz FUSHEHQDVROYTQ-HXUWFJFHSA-N 1 3 354.502 2.586 20 0 FFADHO c1ccc(-c2nnn(CCCCC[N@H+]3CC[C@]4(C3)CCCNC4)n2)cc1 ZINC000563149488 517693258 /nfs/dbraw/zinc/69/32/58/517693258.db2.gz FUSHEHQDVROYTQ-HXUWFJFHSA-N 1 3 354.502 2.586 20 0 FFADHO C[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000521371027 517707946 /nfs/dbraw/zinc/70/79/46/517707946.db2.gz ZIYXFSAMJWBHRK-DYESRHJHSA-N 1 3 357.542 2.786 20 0 FFADHO Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563215727 517746598 /nfs/dbraw/zinc/74/65/98/517746598.db2.gz YVXUUYGRVHKIMN-RTBURBONSA-N 1 3 370.541 2.855 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000534139653 517758279 /nfs/dbraw/zinc/75/82/79/517758279.db2.gz ZZLYCYFCJBTOFV-LEWJYISDSA-N 1 3 373.541 2.679 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000534139653 517758290 /nfs/dbraw/zinc/75/82/90/517758290.db2.gz ZZLYCYFCJBTOFV-LEWJYISDSA-N 1 3 373.541 2.679 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000530415290 517762426 /nfs/dbraw/zinc/76/24/26/517762426.db2.gz NCKDQEWEPHUBOV-HXUWFJFHSA-N 1 3 358.530 2.628 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000516609566 517767548 /nfs/dbraw/zinc/76/75/48/517767548.db2.gz TVHSFYFIDJWGCF-SFHVURJKSA-N 1 3 360.546 2.679 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000516609566 517767557 /nfs/dbraw/zinc/76/75/57/517767557.db2.gz TVHSFYFIDJWGCF-SFHVURJKSA-N 1 3 360.546 2.679 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000557014450 517805016 /nfs/dbraw/zinc/80/50/16/517805016.db2.gz RUVGZRYZAGPQSG-UHFFFAOYSA-N 1 3 356.470 3.087 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000521695666 517829160 /nfs/dbraw/zinc/82/91/60/517829160.db2.gz BWKJUYZSRQZKNZ-QRVBRYPASA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CCC(OC)CC3)CC2)CC1 ZINC000563383921 517868984 /nfs/dbraw/zinc/86/89/84/517868984.db2.gz NAUSDHFASIUHPZ-UHFFFAOYSA-N 1 3 365.562 2.599 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)CC2)oc1C ZINC000560525939 517872960 /nfs/dbraw/zinc/87/29/60/517872960.db2.gz CDGXICHOYIXSMY-ZCNNSNEGSA-N 1 3 360.546 2.966 20 0 FFADHO CC(C)(N)c1nocc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000522014650 517949218 /nfs/dbraw/zinc/94/92/18/517949218.db2.gz RIPFIAUMLWUIHJ-UHFFFAOYSA-N 1 3 370.497 2.649 20 0 FFADHO CC(C)(N)c1nocc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000522014650 517949223 /nfs/dbraw/zinc/94/92/23/517949223.db2.gz RIPFIAUMLWUIHJ-UHFFFAOYSA-N 1 3 370.497 2.649 20 0 FFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534635893 517974313 /nfs/dbraw/zinc/97/43/13/517974313.db2.gz MHDYQXZKWIMQHD-AABGKKOBSA-N 1 3 358.530 2.996 20 0 FFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534635893 517974321 /nfs/dbraw/zinc/97/43/21/517974321.db2.gz MHDYQXZKWIMQHD-AABGKKOBSA-N 1 3 358.530 2.996 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000522068166 517975948 /nfs/dbraw/zinc/97/59/48/517975948.db2.gz AZCKAKUYUZKQIY-LJQANCHMSA-N 1 3 350.551 2.912 20 0 FFADHO CC(C)[NH+]1CCC(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000560729793 517991171 /nfs/dbraw/zinc/99/11/71/517991171.db2.gz OPFSTTBEYDYOLV-HSZRJFAPSA-N 1 3 370.585 2.751 20 0 FFADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCCCC1 ZINC000522217083 518035243 /nfs/dbraw/zinc/03/52/43/518035243.db2.gz HKBROCLBRJYLPH-IBGZPJMESA-N 1 3 358.530 2.674 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccccc3OC)CC2)CC1 ZINC000517191781 518053405 /nfs/dbraw/zinc/05/34/05/518053405.db2.gz COZOKIXTTQMQBU-UHFFFAOYSA-N 1 3 373.541 2.850 20 0 FFADHO Cc1cccc(OC[C@H](O)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000563700343 518078150 /nfs/dbraw/zinc/07/81/50/518078150.db2.gz IHYWMCITHJYHHT-NQSCKRDGSA-N 1 3 368.477 2.580 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2ccc3ccccc3n2)[C@H](C)C1 ZINC000560912658 518084098 /nfs/dbraw/zinc/08/40/98/518084098.db2.gz VRLKKFJGVGAQTL-UYAOXDASSA-N 1 3 370.541 3.373 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2ccc3ccccc3n2)[C@H](C)C1 ZINC000560912658 518084105 /nfs/dbraw/zinc/08/41/05/518084105.db2.gz VRLKKFJGVGAQTL-UYAOXDASSA-N 1 3 370.541 3.373 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(F)(F)CC1 ZINC000534935580 518087464 /nfs/dbraw/zinc/08/74/64/518087464.db2.gz CRNRFDYDLFRSKA-INIZCTEOSA-N 1 3 360.493 2.622 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(F)(F)CC1 ZINC000534935580 518087475 /nfs/dbraw/zinc/08/74/75/518087475.db2.gz CRNRFDYDLFRSKA-INIZCTEOSA-N 1 3 360.493 2.622 20 0 FFADHO C[C@@]1(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000563798979 518130441 /nfs/dbraw/zinc/13/04/41/518130441.db2.gz FBFDZKLMNUBTDA-VWPQPMDRSA-N 1 3 370.541 2.728 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1SC ZINC000539677524 518137927 /nfs/dbraw/zinc/13/79/27/518137927.db2.gz DHVRCMSDDLGGDM-GOSISDBHSA-N 1 3 363.571 2.826 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1SC ZINC000539677524 518137932 /nfs/dbraw/zinc/13/79/32/518137932.db2.gz DHVRCMSDDLGGDM-GOSISDBHSA-N 1 3 363.571 2.826 20 0 FFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000528194261 518142095 /nfs/dbraw/zinc/14/20/95/518142095.db2.gz TTWXCZYTLDMSOV-SVFBPWRDSA-N 1 3 355.526 2.888 20 0 FFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000528194261 518142101 /nfs/dbraw/zinc/14/21/01/518142101.db2.gz TTWXCZYTLDMSOV-SVFBPWRDSA-N 1 3 355.526 2.888 20 0 FFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H](CN)c3ccc(F)cc3)C2)nc1 ZINC000569727766 518261745 /nfs/dbraw/zinc/26/17/45/518261745.db2.gz TXPQCPLIOZHJKT-ZWKOTPCHSA-N 1 3 370.472 2.922 20 0 FFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H](CN)c3ccc(F)cc3)C2)nc1 ZINC000569727766 518261749 /nfs/dbraw/zinc/26/17/49/518261749.db2.gz TXPQCPLIOZHJKT-ZWKOTPCHSA-N 1 3 370.472 2.922 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000566962054 518285548 /nfs/dbraw/zinc/28/55/48/518285548.db2.gz FISFPZIBRNDBHL-UHFFFAOYSA-N 1 3 372.513 2.945 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000569792095 518292928 /nfs/dbraw/zinc/29/29/28/518292928.db2.gz WNBNHGPXUIREGT-KRWDZBQOSA-N 1 3 370.472 2.766 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000567095980 518347960 /nfs/dbraw/zinc/34/79/60/518347960.db2.gz NVZUUNLSJAHNMQ-HKUYNNGSSA-N 1 3 358.530 2.941 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000567105693 518353933 /nfs/dbraw/zinc/35/39/33/518353933.db2.gz AILXEYZGUYGBML-LEWJYISDSA-N 1 3 370.541 2.634 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000569925750 518358792 /nfs/dbraw/zinc/35/87/92/518358792.db2.gz UERIBPLULOHUNY-UZLBHIALSA-N 1 3 352.482 2.608 20 0 FFADHO Cc1c(F)cccc1NC(=O)CCNCc1ccnc(OCC[NH+](C)C)c1 ZINC000578759057 518360841 /nfs/dbraw/zinc/36/08/41/518360841.db2.gz NSBSFUXHFZLAKL-UHFFFAOYSA-N 1 3 374.460 2.588 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000576157833 518456174 /nfs/dbraw/zinc/45/61/74/518456174.db2.gz RVRJEBDCKMFAFL-FQEVSTJZSA-N 1 3 352.482 2.609 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000567356036 518483005 /nfs/dbraw/zinc/48/30/05/518483005.db2.gz FJAGVWREXLYIHL-XLIONFOSSA-N 1 3 373.545 2.871 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000576397056 518572309 /nfs/dbraw/zinc/57/23/09/518572309.db2.gz CCQFTEDFTSERIG-PXNSSMCTSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000576397056 518572315 /nfs/dbraw/zinc/57/23/15/518572315.db2.gz CCQFTEDFTSERIG-PXNSSMCTSA-N 1 3 358.530 2.909 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000576465704 518606065 /nfs/dbraw/zinc/60/60/65/518606065.db2.gz JWPCXIUEGCOEBC-IFMALSPDSA-N 1 3 370.585 2.799 20 0 FFADHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000570512749 518644059 /nfs/dbraw/zinc/64/40/59/518644059.db2.gz PETLEGKHEMGFNG-FPOVZHCZSA-N 1 3 364.493 2.529 20 0 FFADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000576571498 518656937 /nfs/dbraw/zinc/65/69/37/518656937.db2.gz SFCFAQWKOJXBNB-OXJNMPFZSA-N 1 3 368.525 2.679 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000567715023 518671761 /nfs/dbraw/zinc/67/17/61/518671761.db2.gz FJXSGRMGRAVJQE-JFIYKMOQSA-N 1 3 364.559 2.820 20 0 FFADHO CC[N@H+](C)C[C@H](O)CNC(C)(C)Cc1ccc(Br)c(C)c1 ZINC000573455756 518673923 /nfs/dbraw/zinc/67/39/23/518673923.db2.gz PGWRIRYVDUUVBW-OAHLLOKOSA-N 1 3 357.336 2.981 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CNC(C)(C)Cc1ccc(Br)c(C)c1 ZINC000573455756 518673930 /nfs/dbraw/zinc/67/39/30/518673930.db2.gz PGWRIRYVDUUVBW-OAHLLOKOSA-N 1 3 357.336 2.981 20 0 FFADHO CN1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)[C@H]1c1cccs1 ZINC000579452628 518687998 /nfs/dbraw/zinc/68/79/98/518687998.db2.gz FBFMEFDOEULENA-INMHGKMJSA-N 1 3 350.532 2.511 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(c4ccccc4F)C3)CC2)CC1 ZINC000576647494 518693164 /nfs/dbraw/zinc/69/31/64/518693164.db2.gz FHYMKIQSMXMECZ-UHFFFAOYSA-N 1 3 373.516 2.948 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000582360732 518717265 /nfs/dbraw/zinc/71/72/65/518717265.db2.gz DQVDUQRACRRNPE-UEXGIBASSA-N 1 3 369.534 2.885 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(C[NH3+])cc1)N(C)C ZINC000567820868 518729828 /nfs/dbraw/zinc/72/98/28/518729828.db2.gz QSMXCCLOEHVWEL-UZLBHIALSA-N 1 3 354.498 2.944 20 0 FFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000565046194 518759012 /nfs/dbraw/zinc/75/90/12/518759012.db2.gz JCXBYODQFLHTEY-QZTJIDSGSA-N 1 3 369.513 2.805 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000567870657 518759383 /nfs/dbraw/zinc/75/93/83/518759383.db2.gz HYGNJCIFEWNILJ-YADHBBJMSA-N 1 3 367.493 2.989 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CCN1Cc1ccccc1 ZINC000576779548 518759271 /nfs/dbraw/zinc/75/92/71/518759271.db2.gz PFMZJKLXKYTCHW-UKAVVXHISA-N 1 3 370.541 2.918 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000565155149 518814923 /nfs/dbraw/zinc/81/49/23/518814923.db2.gz DLJWKJBRGAEREB-RBUKOAKNSA-N 1 3 355.869 2.927 20 0 FFADHO COC1CC[NH+](C2(CNC(=O)[C@H](N)CC3CCCCC3)CCCC2)CC1 ZINC000579708730 518815846 /nfs/dbraw/zinc/81/58/46/518815846.db2.gz MCUXUVMMCTUTHN-LJQANCHMSA-N 1 3 365.562 2.824 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000570911177 518838515 /nfs/dbraw/zinc/83/85/15/518838515.db2.gz NZSZNTOMQNJNTH-DLBZAZTESA-N 1 3 368.591 2.555 20 0 FFADHO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000576967951 518853693 /nfs/dbraw/zinc/85/36/93/518853693.db2.gz HRWUYOSCXOWRPK-HMXCVIKNSA-N 1 3 358.526 2.930 20 0 FFADHO CN(CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)CC(C)(C)C ZINC000588903113 518863656 /nfs/dbraw/zinc/86/36/56/518863656.db2.gz QHMGKHZDJJLGRX-UHFFFAOYSA-N 1 3 374.573 2.683 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000582728615 518894408 /nfs/dbraw/zinc/89/44/08/518894408.db2.gz XMZLEJLLCMOPEI-FQEVSTJZSA-N 1 3 359.514 2.556 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000571046023 518902087 /nfs/dbraw/zinc/90/20/87/518902087.db2.gz SWFJXVIIRAWVMD-RBBKRZOGSA-N 1 3 370.585 2.799 20 0 FFADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000577176489 518949674 /nfs/dbraw/zinc/94/96/74/518949674.db2.gz TYKGSTCEUQVGOY-QXAKKESOSA-N 1 3 367.497 2.575 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000582878212 518965005 /nfs/dbraw/zinc/96/50/05/518965005.db2.gz LIUALIRGFNDGFB-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000582878212 518965011 /nfs/dbraw/zinc/96/50/11/518965011.db2.gz LIUALIRGFNDGFB-QGZVFWFLSA-N 1 3 370.607 2.768 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cncc(F)c3)CC2)CC1 ZINC000571225035 518988317 /nfs/dbraw/zinc/98/83/17/518988317.db2.gz RCLYEOXZJXPAMX-HNNXBMFYSA-N 1 3 362.493 2.594 20 0 FFADHO CC(C)[C@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[NH+]1CCCCC1 ZINC000571239484 518995199 /nfs/dbraw/zinc/99/51/99/518995199.db2.gz GTEUBCYBIIXPFX-HXUWFJFHSA-N 1 3 360.546 2.872 20 0 FFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000577305683 519013443 /nfs/dbraw/zinc/01/34/43/519013443.db2.gz KKAAHLKRGMUPOO-UHFFFAOYSA-N 1 3 373.541 2.682 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)NCc2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000568501245 519071696 /nfs/dbraw/zinc/07/16/96/519071696.db2.gz JLIGERFUBKEOQO-AWEZNQCLSA-N 1 3 365.485 2.617 20 0 FFADHO CCC[NH2+][C@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574274061 519075874 /nfs/dbraw/zinc/07/58/74/519075874.db2.gz CSQYPCZOZYECSQ-IEBWSBKVSA-N 1 3 369.513 2.965 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000568607995 519126881 /nfs/dbraw/zinc/12/68/81/519126881.db2.gz JVIZGDGSIAJAFO-HBMCJLEFSA-N 1 3 370.541 2.819 20 0 FFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565777526 519127476 /nfs/dbraw/zinc/12/74/76/519127476.db2.gz LDFQOQDXNQKNSK-IKGGRYGDSA-N 1 3 352.482 2.883 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccccc1F ZINC000568620583 519134132 /nfs/dbraw/zinc/13/41/32/519134132.db2.gz GYQRTOPDGSNMJT-IBGZPJMESA-N 1 3 350.478 2.700 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000577590601 519155697 /nfs/dbraw/zinc/15/56/97/519155697.db2.gz LUKKYHOKSCVDCD-CQSZACIVSA-N 1 3 366.893 2.687 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4c3OCO4)CC2)CC1 ZINC000574462216 519167160 /nfs/dbraw/zinc/16/71/60/519167160.db2.gz DGCQXRBLOYLPLJ-UHFFFAOYSA-N 1 3 359.470 2.550 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000574463720 519167518 /nfs/dbraw/zinc/16/75/18/519167518.db2.gz SMNIFZZHKMPGJC-DENIHFKCSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000574463720 519167525 /nfs/dbraw/zinc/16/75/25/519167525.db2.gz SMNIFZZHKMPGJC-DENIHFKCSA-N 1 3 355.526 2.843 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)COCc1ccccc1Cl ZINC000580423326 519168906 /nfs/dbraw/zinc/16/89/06/519168906.db2.gz ONMHHKZUDRSMOH-GOSISDBHSA-N 1 3 352.906 2.824 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000583311827 519182840 /nfs/dbraw/zinc/18/28/40/519182840.db2.gz YBNOTZBYPNNXSW-NBOOPKSLSA-N 1 3 364.559 2.818 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000583312209 519183212 /nfs/dbraw/zinc/18/32/12/519183212.db2.gz PEIOJEYTMYUBDK-AQNXPRMDSA-N 1 3 358.530 2.810 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000571620994 519184532 /nfs/dbraw/zinc/18/45/32/519184532.db2.gz HEPUIAGKRBYSRV-GOSISDBHSA-N 1 3 361.555 2.947 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)OCC3CC3)CC2)CC1 ZINC000568762515 519203967 /nfs/dbraw/zinc/20/39/67/519203967.db2.gz DNLIYUHAUOUVQM-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000571656698 519206295 /nfs/dbraw/zinc/20/62/95/519206295.db2.gz UXCMNBJRAPKGCQ-WTGUMLROSA-N 1 3 358.530 2.539 20 0 FFADHO CC[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc2C1 ZINC000583379625 519217658 /nfs/dbraw/zinc/21/76/58/519217658.db2.gz HWEBFKVXPYWQSA-IFMALSPDSA-N 1 3 363.505 2.827 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577749795 519238508 /nfs/dbraw/zinc/23/85/08/519238508.db2.gz UEXLYYSGKXUKGK-SLFFLAALSA-N 1 3 373.516 2.886 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1 ZINC000574637084 519255507 /nfs/dbraw/zinc/25/55/07/519255507.db2.gz AWKRUAWPNLIZGH-CYBMUJFWSA-N 1 3 358.313 2.713 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000568878044 519263913 /nfs/dbraw/zinc/26/39/13/519263913.db2.gz KURNOUOEXPYNEU-XLIONFOSSA-N 1 3 366.509 2.683 20 0 FFADHO CSC1(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCN(C)CC1 ZINC000571769654 519267255 /nfs/dbraw/zinc/26/72/55/519267255.db2.gz BMXBMQJVLWAQMF-FUHWJXTLSA-N 1 3 370.607 2.624 20 0 FFADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577827967 519274749 /nfs/dbraw/zinc/27/47/49/519274749.db2.gz DFZINKBPPDOUSJ-IRXDYDNUSA-N 1 3 365.543 2.609 20 0 FFADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000577827967 519274755 /nfs/dbraw/zinc/27/47/55/519274755.db2.gz DFZINKBPPDOUSJ-IRXDYDNUSA-N 1 3 365.543 2.609 20 0 FFADHO c1ncn(-c2ccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2)n1 ZINC000577840128 519282412 /nfs/dbraw/zinc/28/24/12/519282412.db2.gz MSBRRIMMDRGFQR-TZIWHRDSSA-N 1 3 361.449 2.613 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000566110139 519305589 /nfs/dbraw/zinc/30/55/89/519305589.db2.gz GCIHPNZVEVJSNV-MJGOQNOKSA-N 1 3 372.513 2.604 20 0 FFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000566110139 519305595 /nfs/dbraw/zinc/30/55/95/519305595.db2.gz GCIHPNZVEVJSNV-MJGOQNOKSA-N 1 3 372.513 2.604 20 0 FFADHO Cn1nc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000578005107 519367724 /nfs/dbraw/zinc/36/77/24/519367724.db2.gz DUHPCVZSOQVTGX-UGKGYDQZSA-N 1 3 362.477 2.961 20 0 FFADHO Cn1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c(-c2ccc(F)cc2)n1 ZINC000580814321 519372520 /nfs/dbraw/zinc/37/25/20/519372520.db2.gz MTVYCACPYXYMMC-WOJBJXKFSA-N 1 3 372.488 2.694 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3cccn3C)CC2)CC1 ZINC000583702186 519390215 /nfs/dbraw/zinc/39/02/15/519390215.db2.gz MNUUURUEFRYADJ-OAQYLSRUSA-N 1 3 372.557 2.885 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(-c2ccccc2)nn1C ZINC000580875308 519402501 /nfs/dbraw/zinc/40/25/01/519402501.db2.gz FSCHPCBBABKUQA-GOSISDBHSA-N 1 3 355.530 2.765 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000572069444 519426733 /nfs/dbraw/zinc/42/67/33/519426733.db2.gz KCZJRCFQMNJWAI-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1C[C@@H](C)N(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000572159984 519473145 /nfs/dbraw/zinc/47/31/45/519473145.db2.gz LIGWKGTZRYIDMA-WOJBJXKFSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@H](C)O1 ZINC000575074461 519485752 /nfs/dbraw/zinc/48/57/52/519485752.db2.gz JDKUWWJQDVMYNF-IYBDPMFKSA-N 1 3 358.486 2.991 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@H](C)O1 ZINC000575074461 519485759 /nfs/dbraw/zinc/48/57/59/519485759.db2.gz JDKUWWJQDVMYNF-IYBDPMFKSA-N 1 3 358.486 2.991 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CCCCCC1 ZINC000578236270 519491188 /nfs/dbraw/zinc/49/11/88/519491188.db2.gz HMYLZOMFHKVRDJ-IMFGXOCKSA-N 1 3 361.505 2.900 20 0 FFADHO NCc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000569437553 519549160 /nfs/dbraw/zinc/54/91/60/519549160.db2.gz IAGPPBPHOWKUIU-OAHLLOKOSA-N 1 3 356.392 2.866 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)ncn1 ZINC000581185222 519565220 /nfs/dbraw/zinc/56/52/20/519565220.db2.gz INBAYKFEJGLLKI-VNTMZGSJSA-N 1 3 357.546 2.908 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3nccs3)CC2)CC1 ZINC000572377801 519583899 /nfs/dbraw/zinc/58/38/99/519583899.db2.gz OERPBTULHBBVBQ-AWEZNQCLSA-N 1 3 350.532 2.517 20 0 FFADHO C[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000591431302 519623133 /nfs/dbraw/zinc/62/31/33/519623133.db2.gz KPIWLNQSYCYVJX-FGTMMUONSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000591431302 519623138 /nfs/dbraw/zinc/62/31/38/519623138.db2.gz KPIWLNQSYCYVJX-FGTMMUONSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000591612312 519968422 /nfs/dbraw/zinc/96/84/22/519968422.db2.gz JMJSTEAMPZONOW-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000591612312 519968426 /nfs/dbraw/zinc/96/84/26/519968426.db2.gz JMJSTEAMPZONOW-GOSISDBHSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000608437796 519978815 /nfs/dbraw/zinc/97/88/15/519978815.db2.gz PDJWPBUVRVHHCI-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000608437796 519978819 /nfs/dbraw/zinc/97/88/19/519978819.db2.gz PDJWPBUVRVHHCI-WIYYLYMNSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000608691745 520085148 /nfs/dbraw/zinc/08/51/48/520085148.db2.gz BXRSWGIPFAFFEQ-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCN1C ZINC000608704372 520091618 /nfs/dbraw/zinc/09/16/18/520091618.db2.gz SYYXYGYFWAKJEQ-HKUYNNGSSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612863779 520193387 /nfs/dbraw/zinc/19/33/87/520193387.db2.gz AESJXTSBKXKKKN-JOCHJYFZSA-N 1 3 366.509 2.966 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cccc(OCCN(C)C)c1 ZINC000595070649 520279513 /nfs/dbraw/zinc/27/95/13/520279513.db2.gz NWHNDQVCMPKHRB-LOFUIXATSA-N 1 3 352.544 2.967 20 0 FFADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000604203368 520485414 /nfs/dbraw/zinc/48/54/14/520485414.db2.gz CRVLWBCDJNIFDD-QGZVFWFLSA-N 1 3 364.921 2.650 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccccc2)ns1 ZINC000617505389 520543141 /nfs/dbraw/zinc/54/31/41/520543141.db2.gz AWMWYIMJGIICRA-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccccc2)ns1 ZINC000617505389 520543147 /nfs/dbraw/zinc/54/31/47/520543147.db2.gz AWMWYIMJGIICRA-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000617507115 520546140 /nfs/dbraw/zinc/54/61/40/520546140.db2.gz ITKWIUDTMFCVGV-INIZCTEOSA-N 1 3 373.545 2.520 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000617507115 520546145 /nfs/dbraw/zinc/54/61/45/520546145.db2.gz ITKWIUDTMFCVGV-INIZCTEOSA-N 1 3 373.545 2.520 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000604638935 520625315 /nfs/dbraw/zinc/62/53/15/520625315.db2.gz POVHCXNWHDEHTO-JLAWEPINSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000606704553 521143038 /nfs/dbraw/zinc/14/30/38/521143038.db2.gz MUHUUTHLWTYWIL-LJQANCHMSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000606704553 521143051 /nfs/dbraw/zinc/14/30/51/521143051.db2.gz MUHUUTHLWTYWIL-LJQANCHMSA-N 1 3 362.562 2.911 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618664801 521177037 /nfs/dbraw/zinc/17/70/37/521177037.db2.gz DMIBJNOEKPQSOY-FQEVSTJZSA-N 1 3 355.526 2.958 20 0 FFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618664801 521177050 /nfs/dbraw/zinc/17/70/50/521177050.db2.gz DMIBJNOEKPQSOY-FQEVSTJZSA-N 1 3 355.526 2.958 20 0 FFADHO COC(=O)c1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)s1 ZINC000593731260 521179479 /nfs/dbraw/zinc/17/94/79/521179479.db2.gz VGVFCFLVYKHXQD-XHSDSOJGSA-N 1 3 352.500 2.704 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000618869497 521272199 /nfs/dbraw/zinc/27/21/99/521272199.db2.gz ZFKIJCRWMOTQTI-KRWDZBQOSA-N 1 3 361.530 2.867 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000618869497 521272208 /nfs/dbraw/zinc/27/22/08/521272208.db2.gz ZFKIJCRWMOTQTI-KRWDZBQOSA-N 1 3 361.530 2.867 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000611738083 521305318 /nfs/dbraw/zinc/30/53/18/521305318.db2.gz PIQJJYFLOZDUCH-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO COC(=O)c1[nH]c(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000602653097 521459551 /nfs/dbraw/zinc/45/95/51/521459551.db2.gz MFQSZTAQUPCVMU-UHFFFAOYSA-N 1 3 371.481 2.873 20 0 FFADHO CCOC(=O)[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCCOC1 ZINC000602743341 521510367 /nfs/dbraw/zinc/51/03/67/521510367.db2.gz FLDZVJBGISEQIJ-HXUWFJFHSA-N 1 3 352.519 2.733 20 0 FFADHO CCOC(=O)[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCOC1 ZINC000602743341 521510372 /nfs/dbraw/zinc/51/03/72/521510372.db2.gz FLDZVJBGISEQIJ-HXUWFJFHSA-N 1 3 352.519 2.733 20 0 FFADHO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCS(=O)(=O)CC2)CN1Cc1ccccc1 ZINC000634973158 521845919 /nfs/dbraw/zinc/84/59/19/521845919.db2.gz SGXRQRKNPJSARA-MISYRCLQSA-N 1 3 364.555 2.844 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000635003303 521860243 /nfs/dbraw/zinc/86/02/43/521860243.db2.gz BUGWBKHHCGRKLC-AEFFLSMTSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](N)Cc2ccccc2)cc1 ZINC000635003303 521860253 /nfs/dbraw/zinc/86/02/53/521860253.db2.gz BUGWBKHHCGRKLC-AEFFLSMTSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000635003309 521862559 /nfs/dbraw/zinc/86/25/59/521862559.db2.gz BUGWBKHHCGRKLC-SJLPKXTDSA-N 1 3 355.482 2.962 20 0 FFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](N)Cc2ccccc2)cc1 ZINC000635003309 521862564 /nfs/dbraw/zinc/86/25/64/521862564.db2.gz BUGWBKHHCGRKLC-SJLPKXTDSA-N 1 3 355.482 2.962 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CN1C1CC1 ZINC000626042327 521874554 /nfs/dbraw/zinc/87/45/54/521874554.db2.gz ZLHIZBVDZBBKCN-ZKMOHVOUSA-N 1 3 367.537 2.886 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CN1C1CC1 ZINC000626042327 521874560 /nfs/dbraw/zinc/87/45/60/521874560.db2.gz ZLHIZBVDZBBKCN-ZKMOHVOUSA-N 1 3 367.537 2.886 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623341521 521949809 /nfs/dbraw/zinc/94/98/09/521949809.db2.gz GSBDDHRIZMAQTP-QGZVFWFLSA-N 1 3 367.559 2.680 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000623414250 522005710 /nfs/dbraw/zinc/00/57/10/522005710.db2.gz ZEPMPJFYBIZNEP-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000623414250 522005716 /nfs/dbraw/zinc/00/57/16/522005716.db2.gz ZEPMPJFYBIZNEP-WIYYLYMNSA-N 1 3 372.557 2.854 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000623419799 522007682 /nfs/dbraw/zinc/00/76/82/522007682.db2.gz XJJBNSVRAIYIEP-HXUWFJFHSA-N 1 3 372.557 2.725 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000623419799 522007690 /nfs/dbraw/zinc/00/76/90/522007690.db2.gz XJJBNSVRAIYIEP-HXUWFJFHSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623465818 522043298 /nfs/dbraw/zinc/04/32/98/522043298.db2.gz FYXJPRIDXQVOKG-IEBWSBKVSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623465818 522043306 /nfs/dbraw/zinc/04/33/06/522043306.db2.gz FYXJPRIDXQVOKG-IEBWSBKVSA-N 1 3 350.551 2.957 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623515092 522083867 /nfs/dbraw/zinc/08/38/67/522083867.db2.gz ONMYLNOYESWVRQ-RTWAWAEBSA-N 1 3 372.557 2.930 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000623515092 522083873 /nfs/dbraw/zinc/08/38/73/522083873.db2.gz ONMYLNOYESWVRQ-RTWAWAEBSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000620196015 522113416 /nfs/dbraw/zinc/11/34/16/522113416.db2.gz KUNIDYJHSCKIDZ-AZUAARDMSA-N 1 3 355.526 2.747 20 0 FFADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000620196015 522113424 /nfs/dbraw/zinc/11/34/24/522113424.db2.gz KUNIDYJHSCKIDZ-AZUAARDMSA-N 1 3 355.526 2.747 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000623566597 522126728 /nfs/dbraw/zinc/12/67/28/522126728.db2.gz XRCURQJOVNJAFW-PMACEKPBSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000623566597 522126736 /nfs/dbraw/zinc/12/67/36/522126736.db2.gz XRCURQJOVNJAFW-PMACEKPBSA-N 1 3 358.530 2.914 20 0 FFADHO CC[C@@H](CNC(=O)N[C@@H](C)C[NH+](CC)CC)N1CCc2ccccc2C1 ZINC000620550590 522289546 /nfs/dbraw/zinc/28/95/46/522289546.db2.gz RZWLDOXDWPRNIU-PXNSSMCTSA-N 1 3 360.546 2.853 20 0 FFADHO FC(F)CN1CCC[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629518860 522297042 /nfs/dbraw/zinc/29/70/42/522297042.db2.gz MJTQSQWKXUPVOM-SIXWZSSISA-N 1 3 351.441 2.561 20 0 FFADHO CCCN(C)[C@@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000629580772 522327453 /nfs/dbraw/zinc/32/74/53/522327453.db2.gz HBTCJSAHHJCMGF-OALUTQOASA-N 1 3 353.938 2.769 20 0 FFADHO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)CN1CCCC1 ZINC000629576241 522329573 /nfs/dbraw/zinc/32/95/73/522329573.db2.gz SHUARTXDLOAZGO-ZFWWWQNUSA-N 1 3 358.313 2.618 20 0 FFADHO [NH3+]CCCOCCNCc1ccc(Br)cc1C(F)(F)F ZINC000629678859 522390666 /nfs/dbraw/zinc/39/06/66/522390666.db2.gz MEVOGRWOVMQTPC-UHFFFAOYSA-N 1 3 355.198 2.923 20 0 FFADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000632952093 522422211 /nfs/dbraw/zinc/42/22/11/522422211.db2.gz DTVJIYAAXFUJKZ-TZMCWYRMSA-N 1 3 366.893 2.766 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(OC)c1 ZINC000624119870 522488831 /nfs/dbraw/zinc/48/88/31/522488831.db2.gz LDKKLSFAWITZGX-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c(OC)c1 ZINC000624119870 522488837 /nfs/dbraw/zinc/48/88/37/522488837.db2.gz LDKKLSFAWITZGX-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c(OC)c1 ZINC000624119870 522488845 /nfs/dbraw/zinc/48/88/45/522488845.db2.gz LDKKLSFAWITZGX-HOTGVXAUSA-N 1 3 363.502 2.742 20 0 FFADHO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CCO1 ZINC000620980512 522559578 /nfs/dbraw/zinc/55/95/78/522559578.db2.gz WEODOVMYAXLKDE-OAQYLSRUSA-N 1 3 373.541 2.855 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000627033657 522607418 /nfs/dbraw/zinc/60/74/18/522607418.db2.gz PLLWIUQOGOKFBG-XKQJLSEDSA-N 1 3 352.910 2.773 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627133406 522667318 /nfs/dbraw/zinc/66/73/18/522667318.db2.gz CSGVIHFSVVHUDT-QGZVFWFLSA-N 1 3 364.921 2.698 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000627197713 522710803 /nfs/dbraw/zinc/71/08/03/522710803.db2.gz FMTOYRVZCFSWBL-LCLWPZTBSA-N 1 3 358.530 2.821 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000621659618 523002162 /nfs/dbraw/zinc/00/21/62/523002162.db2.gz NUGTXKHQLOYJPQ-GOSISDBHSA-N 1 3 358.530 2.935 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000636471292 523002281 /nfs/dbraw/zinc/00/22/81/523002281.db2.gz DHKGSTZWFXQMCL-IBGZPJMESA-N 1 3 360.546 2.675 20 0 FFADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000633953593 523091063 /nfs/dbraw/zinc/09/10/63/523091063.db2.gz CUQDKDLIBAOMKJ-UHFFFAOYSA-N 1 3 374.529 2.503 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nccc2ccsc21 ZINC000625025960 523108925 /nfs/dbraw/zinc/10/89/25/523108925.db2.gz NMGHOKJJGFZNLR-MRXNPFEDSA-N 1 3 360.527 2.784 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nccc2ccsc21 ZINC000625025960 523108939 /nfs/dbraw/zinc/10/89/39/523108939.db2.gz NMGHOKJJGFZNLR-MRXNPFEDSA-N 1 3 360.527 2.784 20 0 FFADHO CN1CCC(n2cc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cn2)CC1 ZINC000634091603 523177942 /nfs/dbraw/zinc/17/79/42/523177942.db2.gz UKDXYFBWWYYKMB-UHFFFAOYSA-N 1 3 367.497 2.998 20 0 FFADHO CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000634120551 523195364 /nfs/dbraw/zinc/19/53/64/523195364.db2.gz LGFWCWGNPYLZRO-IBGZPJMESA-N 1 3 358.530 2.626 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccsc1C(F)(F)F ZINC000628050946 523303528 /nfs/dbraw/zinc/30/35/28/523303528.db2.gz QXWVUQXCWPIXHP-NSHDSACASA-N 1 3 351.438 2.769 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccsc1C(F)(F)F ZINC000628050946 523303537 /nfs/dbraw/zinc/30/35/37/523303537.db2.gz QXWVUQXCWPIXHP-NSHDSACASA-N 1 3 351.438 2.769 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631042706 523327126 /nfs/dbraw/zinc/32/71/26/523327126.db2.gz LMJDXEYCEGVAIJ-AWEZNQCLSA-N 1 3 373.950 2.732 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631042706 523327137 /nfs/dbraw/zinc/32/71/37/523327137.db2.gz LMJDXEYCEGVAIJ-AWEZNQCLSA-N 1 3 373.950 2.732 20 0 FFADHO CCN1CCN(CCCC[NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000631040973 523328769 /nfs/dbraw/zinc/32/87/69/523328769.db2.gz HNKXLCSJVLHTMO-UHFFFAOYSA-N 1 3 374.573 2.671 20 0 FFADHO CN1CCC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000622453163 523396613 /nfs/dbraw/zinc/39/66/13/523396613.db2.gz SOLLQUHTGXHWPS-FQEVSTJZSA-N 1 3 358.530 2.956 20 0 FFADHO Brc1cnccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000631170510 523433755 /nfs/dbraw/zinc/43/37/55/523433755.db2.gz CENVPQNHPVNARP-UHFFFAOYSA-N 1 3 368.319 2.825 20 0 FFADHO O[C@@]1(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)CCN(Cc2ccccc2)C1 ZINC000634637223 523539173 /nfs/dbraw/zinc/53/91/73/523539173.db2.gz QPQUPMQONWCUHK-RBBKRZOGSA-N 1 3 369.509 2.643 20 0 FFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701470 523587848 /nfs/dbraw/zinc/58/78/48/523587848.db2.gz QGRNBRWWYDOKOP-WBMJQRKESA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701470 523587859 /nfs/dbraw/zinc/58/78/59/523587859.db2.gz QGRNBRWWYDOKOP-WBMJQRKESA-N 1 3 359.297 2.807 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC000634701470 523587871 /nfs/dbraw/zinc/58/78/71/523587871.db2.gz QGRNBRWWYDOKOP-WBMJQRKESA-N 1 3 359.297 2.807 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)[C@H](C)C1 ZINC000637371352 523589653 /nfs/dbraw/zinc/58/96/53/523589653.db2.gz DCNGBENPICIAMY-QRQLOZEOSA-N 1 3 350.551 2.765 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)[C@H](C)C1 ZINC000637371352 523589662 /nfs/dbraw/zinc/58/96/62/523589662.db2.gz DCNGBENPICIAMY-QRQLOZEOSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637373689 523592266 /nfs/dbraw/zinc/59/22/66/523592266.db2.gz QLNCKWYJMNOLON-LPHOPBHVSA-N 1 3 350.551 2.765 20 0 FFADHO CCCC[C@@H](NCC1(SC)CC[NH+](C)CC1)C(=O)Nc1cc(C)on1 ZINC000519244995 562128005 /nfs/dbraw/zinc/12/80/05/562128005.db2.gz HWBZMDWLHBRKDF-OAHLLOKOSA-N 1 3 368.547 2.897 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cn4cccc(C)c4n3)CC2)CC1 ZINC000643255242 568404535 /nfs/dbraw/zinc/40/45/35/568404535.db2.gz CEAZEBXKARLRDD-UHFFFAOYSA-N 1 3 355.530 2.635 20 0 FFADHO CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000825453848 608514415 /nfs/dbraw/zinc/51/44/15/608514415.db2.gz XAHBJDBLPLZCTA-IBGZPJMESA-N 1 3 354.502 2.956 20 0 FFADHO CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000825453848 608514416 /nfs/dbraw/zinc/51/44/16/608514416.db2.gz XAHBJDBLPLZCTA-IBGZPJMESA-N 1 3 354.502 2.956 20 0 FFADHO O[C@@H](C[NH2+][C@@H]1CCCc2ncc(Br)cc21)CN1CCCCC1 ZINC000924756914 738444306 /nfs/dbraw/zinc/44/43/06/738444306.db2.gz NONVMRZJXJQSSF-WMLDXEAASA-N 1 3 368.319 2.658 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)C[C@](C)(O)C3CC3)C2)s1 ZINC000639632550 730091000 /nfs/dbraw/zinc/09/10/00/730091000.db2.gz CBGBJGNWIOTKMG-POAQFYNOSA-N 1 3 366.571 2.722 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)C[C@](C)(O)C3CC3)C2)s1 ZINC000639632550 730091002 /nfs/dbraw/zinc/09/10/02/730091002.db2.gz CBGBJGNWIOTKMG-POAQFYNOSA-N 1 3 366.571 2.722 20 0 FFADHO CN1CCC(N(CC[NH+](C)C)C(=O)OCc2ccc(Cl)cc2)CC1 ZINC000859115260 730442268 /nfs/dbraw/zinc/44/22/68/730442268.db2.gz VSXDTDCTBBDXDF-UHFFFAOYSA-N 1 3 353.894 2.934 20 0 FFADHO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000925128931 738480483 /nfs/dbraw/zinc/48/04/83/738480483.db2.gz FGIQEFLNIFLEPM-GOEBONIOSA-N 1 3 353.304 2.529 20 0 FFADHO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000925128931 738480486 /nfs/dbraw/zinc/48/04/86/738480486.db2.gz FGIQEFLNIFLEPM-GOEBONIOSA-N 1 3 353.304 2.529 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000647938947 730776240 /nfs/dbraw/zinc/77/62/40/730776240.db2.gz XLSLJBCWRACRDX-JSGCOSHPSA-N 1 3 354.292 2.837 20 0 FFADHO CC(C)(C)c1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)s1 ZINC000863642513 730798443 /nfs/dbraw/zinc/79/84/43/730798443.db2.gz QQVWXLLEVMTWNF-CVEARBPZSA-N 1 3 363.527 2.803 20 0 FFADHO CC[N@H+](CCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)C1CCCCC1 ZINC000651220068 731066555 /nfs/dbraw/zinc/06/65/55/731066555.db2.gz QYWLAFQCMWJOFF-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CC[N@@H+](CCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)C1CCCCC1 ZINC000651220068 731066559 /nfs/dbraw/zinc/06/65/59/731066559.db2.gz QYWLAFQCMWJOFF-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000654351242 731353404 /nfs/dbraw/zinc/35/34/04/731353404.db2.gz DLUMODLQQYTOKJ-XHSDSOJGSA-N 1 3 350.532 2.524 20 0 FFADHO Brc1cnn(CCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925675117 738522206 /nfs/dbraw/zinc/52/22/06/738522206.db2.gz VTSTVJILNMUQPK-HOTGVXAUSA-N 1 3 355.324 2.794 20 0 FFADHO CCN(CC)[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000655688805 731498702 /nfs/dbraw/zinc/49/87/02/731498702.db2.gz JATFTQLUEPXCSM-RBUKOAKNSA-N 1 3 351.560 2.974 20 0 FFADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000925783828 738529703 /nfs/dbraw/zinc/52/97/03/738529703.db2.gz OXZLUFWARUUJDI-TZMCWYRMSA-N 1 3 352.429 2.866 20 0 FFADHO C[C@H](C[C@H](O)c1cccs1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215197 731740569 /nfs/dbraw/zinc/74/05/69/731740569.db2.gz SXUCMAJPSMMPDH-IMFGXOCKSA-N 1 3 360.523 2.787 20 0 FFADHO C[C@H](C[C@H](O)c1cccs1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215197 731740572 /nfs/dbraw/zinc/74/05/72/731740572.db2.gz SXUCMAJPSMMPDH-IMFGXOCKSA-N 1 3 360.523 2.787 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657347479 731772342 /nfs/dbraw/zinc/77/23/42/731772342.db2.gz TZYPZIZVOZIDDP-AWEZNQCLSA-N 1 3 359.436 2.790 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)F)nc1 ZINC000657864050 731825210 /nfs/dbraw/zinc/82/52/10/731825210.db2.gz JRGPRIMSISQKTH-CJNGLKHVSA-N 1 3 354.445 2.613 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)F)nc1 ZINC000657864050 731825214 /nfs/dbraw/zinc/82/52/14/731825214.db2.gz JRGPRIMSISQKTH-CJNGLKHVSA-N 1 3 354.445 2.613 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)Cc1ccco1 ZINC000661514186 732212485 /nfs/dbraw/zinc/21/24/85/732212485.db2.gz RGHLSYAGVYALRD-INIZCTEOSA-N 1 3 350.507 2.616 20 0 FFADHO CN(CCCN(C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)Cc1ccco1 ZINC000661514186 732212487 /nfs/dbraw/zinc/21/24/87/732212487.db2.gz RGHLSYAGVYALRD-INIZCTEOSA-N 1 3 350.507 2.616 20 0 FFADHO CCOP(=O)(CCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)OCC ZINC000876811620 732284002 /nfs/dbraw/zinc/28/40/02/732284002.db2.gz LWFGTXZQHLLQEY-YESZJQIVSA-N 1 3 362.451 2.826 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000663399423 732430202 /nfs/dbraw/zinc/43/02/02/732430202.db2.gz HHKHOWDVYMDORT-UONOGXRCSA-N 1 3 356.461 2.597 20 0 FFADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000663399423 732430204 /nfs/dbraw/zinc/43/02/04/732430204.db2.gz HHKHOWDVYMDORT-UONOGXRCSA-N 1 3 356.461 2.597 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663595563 732465155 /nfs/dbraw/zinc/46/51/55/732465155.db2.gz FXLJLZYPODXXID-SFHVURJKSA-N 1 3 366.893 2.687 20 0 FFADHO C[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926415906 738613009 /nfs/dbraw/zinc/61/30/09/738613009.db2.gz DUROUZVQLXENBU-PBHICJAKSA-N 1 3 359.436 2.662 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000664970062 732653990 /nfs/dbraw/zinc/65/39/90/732653990.db2.gz KIRXJWPPXIGIBI-AEFFLSMTSA-N 1 3 364.559 2.747 20 0 FFADHO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000664970062 732653993 /nfs/dbraw/zinc/65/39/93/732653993.db2.gz KIRXJWPPXIGIBI-AEFFLSMTSA-N 1 3 364.559 2.747 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000665764117 732753909 /nfs/dbraw/zinc/75/39/09/732753909.db2.gz VHBXWPUZRAMXIC-QILLFSRXSA-N 1 3 366.937 2.767 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000665764117 732753913 /nfs/dbraw/zinc/75/39/13/732753913.db2.gz VHBXWPUZRAMXIC-QILLFSRXSA-N 1 3 366.937 2.767 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000666118644 732804953 /nfs/dbraw/zinc/80/49/53/732804953.db2.gz GURVDWXBGQTTGP-AWEZNQCLSA-N 1 3 369.941 2.800 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000666118644 732804957 /nfs/dbraw/zinc/80/49/57/732804957.db2.gz GURVDWXBGQTTGP-AWEZNQCLSA-N 1 3 369.941 2.800 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857655 732909106 /nfs/dbraw/zinc/90/91/06/732909106.db2.gz CWIUHSGXBWQIHG-GXTWGEPZSA-N 1 3 354.292 2.898 20 0 FFADHO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000666990280 732927388 /nfs/dbraw/zinc/92/73/88/732927388.db2.gz YMGYSPFDGXFSHP-SFHVURJKSA-N 1 3 362.543 2.542 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1[O-] ZINC000667812332 733039136 /nfs/dbraw/zinc/03/91/36/733039136.db2.gz JRNHZBZGKHJXAG-HNNXBMFYSA-N 1 3 365.543 2.602 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1[O-] ZINC000667812332 733039138 /nfs/dbraw/zinc/03/91/38/733039138.db2.gz JRNHZBZGKHJXAG-HNNXBMFYSA-N 1 3 365.543 2.602 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000669858858 733279106 /nfs/dbraw/zinc/27/91/06/733279106.db2.gz DCWGJGIXNMTPDC-AWEZNQCLSA-N 1 3 350.532 2.667 20 0 FFADHO C[C@@H](NC[C@@H](O)C(F)(F)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000883359232 733372530 /nfs/dbraw/zinc/37/25/30/733372530.db2.gz BEOKVIVHDNPDOM-BXUZGUMPSA-N 1 3 370.362 2.836 20 0 FFADHO CCc1ccc([C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000727066187 734462531 /nfs/dbraw/zinc/46/25/31/734462531.db2.gz IGCHHRLGFIQYGK-SFHVURJKSA-N 1 3 364.603 2.904 20 0 FFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000892580550 734576117 /nfs/dbraw/zinc/57/61/17/734576117.db2.gz MDAVWCBTIOEKDU-UWVAXJGDSA-N 1 3 364.555 2.831 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)CC1 ZINC000893496504 734709739 /nfs/dbraw/zinc/70/97/39/734709739.db2.gz CABLAULWPFZXRQ-RTBURBONSA-N 1 3 350.551 2.623 20 0 FFADHO COC(=O)[C@@H]1[C@@H](CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1(F)F ZINC000894209885 734819176 /nfs/dbraw/zinc/81/91/76/734819176.db2.gz YKDZSOMTENEGIT-CFVMTHIKSA-N 1 3 358.454 2.604 20 0 FFADHO COC(=O)[C@@H]1[C@@H](CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1(F)F ZINC000894209885 734819180 /nfs/dbraw/zinc/81/91/80/734819180.db2.gz YKDZSOMTENEGIT-CFVMTHIKSA-N 1 3 358.454 2.604 20 0 FFADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H](O)COc2ccccc2Br)C1 ZINC000902353188 735936093 /nfs/dbraw/zinc/93/60/93/735936093.db2.gz WVILNCLUYBGKGE-UONOGXRCSA-N 1 3 371.319 2.557 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=S)NC1CCN(C)CC1 ZINC000752244549 735970338 /nfs/dbraw/zinc/97/03/38/735970338.db2.gz LOLKUKQAAZUEAA-UHFFFAOYSA-N 1 3 368.513 2.551 20 0 FFADHO Brc1ccc2c(c1)[C@H](NC[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CCO2 ZINC000903786987 736166981 /nfs/dbraw/zinc/16/69/81/736166981.db2.gz SNMMTZKTAKQWMW-LXZKKBNFSA-N 1 3 367.287 2.631 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000903842774 736173691 /nfs/dbraw/zinc/17/36/91/736173691.db2.gz UNQDQIITRRCTGJ-HPGNRBDVSA-N 1 3 364.287 2.514 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760476665 736642375 /nfs/dbraw/zinc/64/23/75/736642375.db2.gz CQMVMSGTOYFWHH-APWZRJJASA-N 1 3 360.571 2.628 20 0 FFADHO C[C@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)[NH+]1CCCCC1 ZINC000918119838 737793929 /nfs/dbraw/zinc/79/39/29/737793929.db2.gz NBPOPDAPAZFBNX-QGZVFWFLSA-N 1 3 368.591 2.522 20 0 FFADHO Cc1cccc(CNC[C@H](C)C[NH+]2CCN(C)CC2)c1Br ZINC000921685708 738022923 /nfs/dbraw/zinc/02/29/23/738022923.db2.gz KTCYPQZGRFVLHG-AWEZNQCLSA-N 1 3 354.336 2.731 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccco3)s1)C2 ZINC000922389173 738135537 /nfs/dbraw/zinc/13/55/37/738135537.db2.gz HRNOYKUJTPCUPE-IIHSZXCVSA-N 1 3 361.511 2.972 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(-c3ccco3)s1)C2 ZINC000922389173 738135540 /nfs/dbraw/zinc/13/55/40/738135540.db2.gz HRNOYKUJTPCUPE-IIHSZXCVSA-N 1 3 361.511 2.972 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2COC3(CCCCC3)O2)[C@H](C)C1 ZINC000776169939 738167572 /nfs/dbraw/zinc/16/75/72/738167572.db2.gz FZNYJIFIQYQRTR-QRVBRYPASA-N 1 3 354.535 2.789 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2COC3(CCCCC3)O2)[C@H](C)C1 ZINC000776169939 738167573 /nfs/dbraw/zinc/16/75/73/738167573.db2.gz FZNYJIFIQYQRTR-QRVBRYPASA-N 1 3 354.535 2.789 20 0 FFADHO COc1ccc(Br)cc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452848 738285176 /nfs/dbraw/zinc/28/51/76/738285176.db2.gz ILGNWETTWMBYOX-OAHLLOKOSA-N 1 3 369.303 2.788 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cnc(F)c(Cl)c3)CC2)CC1 ZINC000934286401 739760787 /nfs/dbraw/zinc/76/07/87/739760787.db2.gz DWUMJLKWPOIUPH-UHFFFAOYSA-N 1 3 369.872 2.554 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000796988086 740202341 /nfs/dbraw/zinc/20/23/41/740202341.db2.gz GTPOWMKMMFJUJF-TWMKSMIVSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000796988086 740202343 /nfs/dbraw/zinc/20/23/43/740202343.db2.gz GTPOWMKMMFJUJF-TWMKSMIVSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000796988086 740202346 /nfs/dbraw/zinc/20/23/46/740202346.db2.gz GTPOWMKMMFJUJF-TWMKSMIVSA-N 1 3 353.304 2.945 20 0 FFADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)CC1 ZINC000799178181 740397101 /nfs/dbraw/zinc/39/71/01/740397101.db2.gz PBLPUKKFDXSPEO-HNNXBMFYSA-N 1 3 361.452 2.595 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000806495428 741064734 /nfs/dbraw/zinc/06/47/34/741064734.db2.gz GOMAQNUUABKKQH-YESZJQIVSA-N 1 3 350.507 2.882 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000810208783 741398269 /nfs/dbraw/zinc/39/82/69/741398269.db2.gz GAWSSSYHQUOSQB-ZIAGYGMSSA-N 1 3 355.324 2.521 20 0 FFADHO Cc1ncsc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997102048 742006244 /nfs/dbraw/zinc/00/62/44/742006244.db2.gz USRKKZISNGOZLK-FRFSOERESA-N 1 3 364.559 2.508 20 0 FFADHO Cc1ncsc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997102048 742006248 /nfs/dbraw/zinc/00/62/48/742006248.db2.gz USRKKZISNGOZLK-FRFSOERESA-N 1 3 364.559 2.508 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC000817285327 742117348 /nfs/dbraw/zinc/11/73/48/742117348.db2.gz ITGUCWPHZXBVEM-FQEVSTJZSA-N 1 3 365.949 2.865 20 0 FFADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC000817285327 742117349 /nfs/dbraw/zinc/11/73/49/742117349.db2.gz ITGUCWPHZXBVEM-FQEVSTJZSA-N 1 3 365.949 2.865 20 0 FFADHO CC[NH+]1CCC(N2CCCN(C[C@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC000817285327 742117351 /nfs/dbraw/zinc/11/73/51/742117351.db2.gz ITGUCWPHZXBVEM-FQEVSTJZSA-N 1 3 365.949 2.865 20 0 FFADHO COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)ccc1S(=O)(=O)C(F)F ZINC000818616412 742284224 /nfs/dbraw/zinc/28/42/24/742284224.db2.gz WJUMMFWWLLCIIS-RAIGVLPGSA-N 1 3 362.442 2.612 20 0 FFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccc(F)cc1F ZINC000818984810 742320988 /nfs/dbraw/zinc/32/09/88/742320988.db2.gz LTKAVMRHTIFCSJ-GOSISDBHSA-N 1 3 350.409 2.728 20 0 FFADHO CC(C)OCC[NH+]1CCC(NC[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819128272 742341124 /nfs/dbraw/zinc/34/11/24/742341124.db2.gz HWUBZGBLXRJMLI-GOSISDBHSA-N 1 3 358.885 2.992 20 0 FFADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c(F)c1 ZINC000819174701 742347962 /nfs/dbraw/zinc/34/79/62/742347962.db2.gz QUIGNXVPBLSJEA-GUDVDZBRSA-N 1 3 370.896 2.870 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccc(F)c(Cl)c3)C2)CC[N@@H+]1C ZINC001018864924 742515367 /nfs/dbraw/zinc/51/53/67/742515367.db2.gz APPMVAXBURWLJV-VHDGCEQUSA-N 1 3 353.869 2.510 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccc(F)c(Cl)c3)C2)CC[N@H+]1C ZINC001018864924 742515371 /nfs/dbraw/zinc/51/53/71/742515371.db2.gz APPMVAXBURWLJV-VHDGCEQUSA-N 1 3 353.869 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3CCC(F)(F)F)CC[N@@H+]1C ZINC001021263188 742587734 /nfs/dbraw/zinc/58/77/34/742587734.db2.gz MHKKDSMAWGMKPC-GWONACJQSA-N 1 3 361.452 2.781 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3CCC(F)(F)F)CC[N@H+]1C ZINC001021263188 742587738 /nfs/dbraw/zinc/58/77/38/742587738.db2.gz MHKKDSMAWGMKPC-GWONACJQSA-N 1 3 361.452 2.781 20 0 FFADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C[NH+](C)C ZINC000821546799 742640178 /nfs/dbraw/zinc/64/01/78/742640178.db2.gz IZEDMGHIRLRVEZ-MRXNPFEDSA-N 1 3 364.559 2.597 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(Cc4ccc(Cl)cc4)C[C@H]3C2)CC[N@@H+]1C ZINC001048829111 743431143 /nfs/dbraw/zinc/43/11/43/743431143.db2.gz HHZJNBOMYKISSP-VYCZESIESA-N 1 3 361.917 2.570 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(Cc4ccc(Cl)cc4)C[C@H]3C2)CC[N@H+]1C ZINC001048829111 743431146 /nfs/dbraw/zinc/43/11/46/743431146.db2.gz HHZJNBOMYKISSP-VYCZESIESA-N 1 3 361.917 2.570 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000834911452 745923341 /nfs/dbraw/zinc/92/33/41/745923341.db2.gz SWEMUFJCBXDTJI-LLLHUVSDSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000834911452 745923342 /nfs/dbraw/zinc/92/33/42/745923342.db2.gz SWEMUFJCBXDTJI-LLLHUVSDSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000834911452 745923343 /nfs/dbraw/zinc/92/33/43/745923343.db2.gz SWEMUFJCBXDTJI-LLLHUVSDSA-N 1 3 353.304 2.945 20 0 FFADHO COCC1(CNCc2c(C)nn(-c3ccccc3)c2Cl)CC[NH2+]CC1 ZINC000841068605 747262946 /nfs/dbraw/zinc/26/29/46/747262946.db2.gz SIXGUDIHIPRWDJ-UHFFFAOYSA-N 1 3 362.905 2.940 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000844171859 747983147 /nfs/dbraw/zinc/98/31/47/747983147.db2.gz MKKTZHHXGCKBSQ-IJEWVQPXSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000844171859 747983148 /nfs/dbraw/zinc/98/31/48/747983148.db2.gz MKKTZHHXGCKBSQ-IJEWVQPXSA-N 1 3 352.910 2.812 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc(Cl)n1 ZINC000844187653 747985515 /nfs/dbraw/zinc/98/55/15/747985515.db2.gz MMDMXYKUGWGYIS-HUUCEWRRSA-N 1 3 354.926 2.916 20 0 FFADHO C[C@@H]1CN(C(=[NH2+])NCC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000849094682 749049605 /nfs/dbraw/zinc/04/96/05/749049605.db2.gz PEVDIFTYXUBXND-OAHLLOKOSA-N 1 3 364.921 2.797 20 0 FFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)C1 ZINC000850491805 749373279 /nfs/dbraw/zinc/37/32/79/749373279.db2.gz QVRUJYBFIVXHAA-CYULLINESA-N 1 3 354.482 2.930 20 0 FFADHO [NH3+]CCCCCCCN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000852758907 749946252 /nfs/dbraw/zinc/94/62/52/749946252.db2.gz GYLKEDKROULZHJ-GOSISDBHSA-N 1 3 353.532 2.802 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(Cl)n1 ZINC000852837269 749963020 /nfs/dbraw/zinc/96/30/20/749963020.db2.gz RWKMJBYCWMBZSC-NVXWUHKLSA-N 1 3 364.921 2.672 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC001104809553 970872222 /nfs/dbraw/zinc/87/22/22/970872222.db2.gz KSMNRYAYTSOYIT-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCOCC2)C1 ZINC001104938050 971187946 /nfs/dbraw/zinc/18/79/46/971187946.db2.gz NQDQYSQUTIPLKG-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO COc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001105064389 971438025 /nfs/dbraw/zinc/43/80/25/971438025.db2.gz MUPTTXJBAJRLNS-IEBWSBKVSA-N 1 3 361.530 2.610 20 0 FFADHO Cc1ccc([C@H](C)CC[NH+]2CCC3(CCN(CCN(C)C)C3=O)CC2)o1 ZINC001275855125 1013098366 /nfs/dbraw/zinc/09/83/66/1013098366.db2.gz SAKVLPHBQHJDGF-QGZVFWFLSA-N 1 3 361.530 2.958 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2C1)C1CCC1 ZINC001087994464 971743484 /nfs/dbraw/zinc/74/34/84/971743484.db2.gz LJRXZEVJYQWMOE-MSOLQXFVSA-N 1 3 359.489 2.590 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]2C1)C1CCC1 ZINC001087994464 971743491 /nfs/dbraw/zinc/74/34/91/971743491.db2.gz LJRXZEVJYQWMOE-MSOLQXFVSA-N 1 3 359.489 2.590 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]2C1)C1CCC1 ZINC001087995187 971744929 /nfs/dbraw/zinc/74/49/29/971744929.db2.gz XQLNDDSMUWUXMH-MSOLQXFVSA-N 1 3 359.489 2.590 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]2C1)C1CCC1 ZINC001087995187 971744934 /nfs/dbraw/zinc/74/49/34/971744934.db2.gz XQLNDDSMUWUXMH-MSOLQXFVSA-N 1 3 359.489 2.590 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999214 971776654 /nfs/dbraw/zinc/77/66/54/971776654.db2.gz BBIHOEJUHOOIRN-AABGKKOBSA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cccnc1CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999214 971776660 /nfs/dbraw/zinc/77/66/60/971776660.db2.gz BBIHOEJUHOOIRN-AABGKKOBSA-N 1 3 370.541 2.545 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1)[NH+](C)C ZINC001088002489 971791745 /nfs/dbraw/zinc/79/17/45/971791745.db2.gz IAAWLORIQDFOIC-HBFSDRIKSA-N 1 3 361.505 2.692 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)CC[C@@H]2C1)N(C)C ZINC001088011314 971845144 /nfs/dbraw/zinc/84/51/44/971845144.db2.gz IETTYSYZRXGSRB-QHAWAJNXSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3C)CC[C@@H]2C1)N(C)C ZINC001088011314 971845148 /nfs/dbraw/zinc/84/51/48/971845148.db2.gz IETTYSYZRXGSRB-QHAWAJNXSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001026856048 972094205 /nfs/dbraw/zinc/09/42/05/972094205.db2.gz SBYSQAJTUFFXBM-YZVOILCLSA-N 1 3 365.468 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001026856048 972094210 /nfs/dbraw/zinc/09/42/10/972094210.db2.gz SBYSQAJTUFFXBM-YZVOILCLSA-N 1 3 365.468 2.633 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000660567979 972248623 /nfs/dbraw/zinc/24/86/23/972248623.db2.gz NHNHLFLBDDZWGY-VQTJNVASSA-N 1 3 372.557 2.723 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000660567979 972248628 /nfs/dbraw/zinc/24/86/28/972248628.db2.gz NHNHLFLBDDZWGY-VQTJNVASSA-N 1 3 372.557 2.723 20 0 FFADHO C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NCc2ccccn2)C1 ZINC001211661866 972486254 /nfs/dbraw/zinc/48/62/54/972486254.db2.gz JZPFAWQCRMPWLO-LEWJYISDSA-N 1 3 366.509 2.508 20 0 FFADHO c1ccc2c(c1)CCN(CCC[NH2+]C1CCN(C[C@H]3CCCO3)CC1)C2 ZINC000655696451 961096216 /nfs/dbraw/zinc/09/62/16/961096216.db2.gz PUOKLGQLCMLNDW-JOCHJYFZSA-N 1 3 357.542 2.668 20 0 FFADHO c1cnn(Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655694981 961097704 /nfs/dbraw/zinc/09/77/04/961097704.db2.gz JISNYYLDNAIYSY-NRFANRHFSA-N 1 3 354.498 2.664 20 0 FFADHO FC(F)(F)c1cccnc1OCCNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655734634 961200225 /nfs/dbraw/zinc/20/02/25/961200225.db2.gz LDUIBPBWWATCOS-HNNXBMFYSA-N 1 3 373.419 2.712 20 0 FFADHO CN1C[C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)[C@H](c2ccccc2)C1 ZINC000655779808 961294189 /nfs/dbraw/zinc/29/41/89/961294189.db2.gz RLXLHMVPFUEZKV-HJNYFJLDSA-N 1 3 357.542 2.565 20 0 FFADHO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000655826149 961469950 /nfs/dbraw/zinc/46/99/50/961469950.db2.gz FJVZDCBWUAZLNR-VNTMZGSJSA-N 1 3 365.525 2.563 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001104287506 961819997 /nfs/dbraw/zinc/81/99/97/961819997.db2.gz GIFYXSWORVYRFZ-GDBMZVCRSA-N 1 3 357.489 2.590 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424519 1013333106 /nfs/dbraw/zinc/33/31/06/1013333106.db2.gz UIEWQGJKOBVMKF-ANULTFPQSA-N 1 3 353.510 2.558 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001104294393 962375853 /nfs/dbraw/zinc/37/58/53/962375853.db2.gz NKCLIIIZSCNMAX-GDBMZVCRSA-N 1 3 357.489 2.590 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1ccccc1F ZINC001104294416 962377508 /nfs/dbraw/zinc/37/75/08/962377508.db2.gz OKPHBVYWFLLSNR-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO CN1CCCC[C@@H]1c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)nc1 ZINC001167371027 962457247 /nfs/dbraw/zinc/45/72/47/962457247.db2.gz KMWCFBBKLYTWLR-HXUWFJFHSA-N 1 3 366.509 2.973 20 0 FFADHO Cc1cc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc(C)c1F ZINC001143380646 963046269 /nfs/dbraw/zinc/04/62/69/963046269.db2.gz PFGVNYWQIHBSKV-UHFFFAOYSA-N 1 3 371.500 2.767 20 0 FFADHO Cc1cc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)cc(C)c1F ZINC001143380646 963046281 /nfs/dbraw/zinc/04/62/81/963046281.db2.gz PFGVNYWQIHBSKV-UHFFFAOYSA-N 1 3 371.500 2.767 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2)C1)N(C)C ZINC001104319246 963266668 /nfs/dbraw/zinc/26/66/68/963266668.db2.gz JWBQODZHUCZERQ-NRSPTQNISA-N 1 3 359.558 2.890 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001104322708 963288730 /nfs/dbraw/zinc/28/87/30/963288730.db2.gz ZBEDZHHXVGHGTO-FMKPAKJESA-N 1 3 364.361 2.966 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000649411716 1013409704 /nfs/dbraw/zinc/40/97/04/1013409704.db2.gz YEABFCQEVOKQDJ-BJLQDIEVSA-N 1 3 365.477 2.938 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000649411716 1013409707 /nfs/dbraw/zinc/40/97/07/1013409707.db2.gz YEABFCQEVOKQDJ-BJLQDIEVSA-N 1 3 365.477 2.938 20 0 FFADHO CC/C=C/CCN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001269292885 964052907 /nfs/dbraw/zinc/05/29/07/964052907.db2.gz SQQXTODGHSDOJT-NMXABPSJSA-N 1 3 355.526 2.879 20 0 FFADHO CC/C=C/CCN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001269292885 964052926 /nfs/dbraw/zinc/05/29/26/964052926.db2.gz SQQXTODGHSDOJT-NMXABPSJSA-N 1 3 355.526 2.879 20 0 FFADHO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000684390904 964258392 /nfs/dbraw/zinc/25/83/92/964258392.db2.gz KCDRQQZQHPPAHS-PMACEKPBSA-N 1 3 359.514 2.559 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)N2CCCC2)cc1 ZINC000891458786 964344009 /nfs/dbraw/zinc/34/40/09/964344009.db2.gz DNOCBBDZYYEJDG-ZCNNSNEGSA-N 1 3 356.514 2.668 20 0 FFADHO CCN(CC)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167972758 965447533 /nfs/dbraw/zinc/44/75/33/965447533.db2.gz BAHOLLAVMSDQNT-IHWFROFDSA-N 1 3 362.562 2.908 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CC)CC[C@H]2c2ccc(OC)cc2)CC[N@@H+]1C ZINC001087474690 965554372 /nfs/dbraw/zinc/55/43/72/965554372.db2.gz SXQPBDUJVPDZGV-XSDIEEQYSA-N 1 3 373.541 2.720 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CC)CC[C@H]2c2ccc(OC)cc2)CC[N@H+]1C ZINC001087474690 965554381 /nfs/dbraw/zinc/55/43/81/965554381.db2.gz SXQPBDUJVPDZGV-XSDIEEQYSA-N 1 3 373.541 2.720 20 0 FFADHO c1cc(CN2CCC[C@@H]3COC[C@@H]32)cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657295126 965972872 /nfs/dbraw/zinc/97/28/72/965972872.db2.gz YHYSKJPAOQXOAA-CZYKHXBRSA-N 1 3 356.510 2.908 20 0 FFADHO c1cc(CN2CCC[C@@H]3COC[C@@H]32)cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657295126 965972887 /nfs/dbraw/zinc/97/28/87/965972887.db2.gz YHYSKJPAOQXOAA-CZYKHXBRSA-N 1 3 356.510 2.908 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C[C@@H](C)O1 ZINC000657366470 966311149 /nfs/dbraw/zinc/31/11/49/966311149.db2.gz HEXJGYPZWZRUCQ-OPYAIIAOSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@@H](C)O1 ZINC000657366466 966311350 /nfs/dbraw/zinc/31/13/50/966311350.db2.gz HEXJGYPZWZRUCQ-DBXWQHBBSA-N 1 3 362.514 2.833 20 0 FFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001087219876 966757559 /nfs/dbraw/zinc/75/75/59/966757559.db2.gz SSVGPIVHAPDVFR-INMHGKMJSA-N 1 3 368.472 2.994 20 0 FFADHO CCc1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)c1 ZINC001087219919 966758350 /nfs/dbraw/zinc/75/83/50/966758350.db2.gz VRRJLMWLRRZMKW-UZLBHIALSA-N 1 3 354.498 2.932 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCCN(CCF)CC3)CC2)CC[N@@H+]1C ZINC001075454080 966848566 /nfs/dbraw/zinc/84/85/66/966848566.db2.gz KPGIMCBSXHIBBT-ZIFCJYIRSA-N 1 3 353.526 2.637 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCCN(CCF)CC3)CC2)CC[N@H+]1C ZINC001075454080 966848572 /nfs/dbraw/zinc/84/85/72/966848572.db2.gz KPGIMCBSXHIBBT-ZIFCJYIRSA-N 1 3 353.526 2.637 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccccc3)cc2)C1 ZINC000657595642 966934892 /nfs/dbraw/zinc/93/48/92/966934892.db2.gz RKBUYGBHJBSVRU-OAQYLSRUSA-N 1 3 362.477 2.933 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3c[nH]nc3-c3ccccc3)cc2)C1 ZINC000657595642 966934894 /nfs/dbraw/zinc/93/48/94/966934894.db2.gz RKBUYGBHJBSVRU-OAQYLSRUSA-N 1 3 362.477 2.933 20 0 FFADHO COc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc2c1OCO2 ZINC000657612386 966958282 /nfs/dbraw/zinc/95/82/82/966958282.db2.gz MZLQKSADTFPNQS-UHFFFAOYSA-N 1 3 369.465 2.821 20 0 FFADHO CN1CCN(CC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1(C)C ZINC000685043633 967064777 /nfs/dbraw/zinc/06/47/77/967064777.db2.gz XVTJBZWVHBBWBC-HXUWFJFHSA-N 1 3 358.574 2.655 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)C1 ZINC000650707763 967556721 /nfs/dbraw/zinc/55/67/21/967556721.db2.gz MOXWFXXYQOOHIC-CEWLAPEOSA-N 1 3 372.488 2.789 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001029313829 967693425 /nfs/dbraw/zinc/69/34/25/967693425.db2.gz OIYZXPAURQTNOH-IALVOCICSA-N 1 3 371.500 2.828 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001029313829 967693435 /nfs/dbraw/zinc/69/34/35/967693435.db2.gz OIYZXPAURQTNOH-IALVOCICSA-N 1 3 371.500 2.828 20 0 FFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211616121 968029228 /nfs/dbraw/zinc/02/92/28/968029228.db2.gz XMBSNCBQEZTDRT-HBMCJLEFSA-N 1 3 355.526 2.877 20 0 FFADHO COC1([C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1 ZINC000657917573 968335349 /nfs/dbraw/zinc/33/53/49/968335349.db2.gz BDRAYGIYYDQXMU-KRWDZBQOSA-N 1 3 359.514 2.559 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1cnccc1C ZINC001087699908 968653991 /nfs/dbraw/zinc/65/39/91/968653991.db2.gz RGRVMDRDDNVVDM-QGZVKYPTSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1cnccc1C ZINC001087699908 968653995 /nfs/dbraw/zinc/65/39/95/968653995.db2.gz RGRVMDRDDNVVDM-QGZVKYPTSA-N 1 3 358.530 2.589 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccc(C)c(OC)c1 ZINC001087799500 969097081 /nfs/dbraw/zinc/09/70/81/969097081.db2.gz YHAIKQAECAGLAY-RBUKOAKNSA-N 1 3 371.525 2.569 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc2c(c1)COC2 ZINC001087796535 969099436 /nfs/dbraw/zinc/09/94/36/969099436.db2.gz DPNXROHNWHRNGM-JRGCBEDISA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2c(c1)COC2 ZINC001087796535 969099446 /nfs/dbraw/zinc/09/94/46/969099446.db2.gz DPNXROHNWHRNGM-JRGCBEDISA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc2c(c1)COC2 ZINC001087796534 969100139 /nfs/dbraw/zinc/10/01/39/969100139.db2.gz DPNXROHNWHRNGM-DZFGPLHGSA-N 1 3 371.525 2.528 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc2c(c1)COC2 ZINC001087796534 969100145 /nfs/dbraw/zinc/10/01/45/969100145.db2.gz DPNXROHNWHRNGM-DZFGPLHGSA-N 1 3 371.525 2.528 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177264012 969152908 /nfs/dbraw/zinc/15/29/08/969152908.db2.gz WUHROWHRWUSPMD-CALCHBBNSA-N 1 3 369.550 2.865 20 0 FFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031902 969645275 /nfs/dbraw/zinc/64/52/75/969645275.db2.gz PHDVYQBQHWWHJL-JTDSTZFVSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031902 969645278 /nfs/dbraw/zinc/64/52/78/969645278.db2.gz PHDVYQBQHWWHJL-JTDSTZFVSA-N 1 3 360.502 2.589 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659035578 969652670 /nfs/dbraw/zinc/65/26/70/969652670.db2.gz YFSVKOQEPBVBOI-JTDSTZFVSA-N 1 3 360.502 2.732 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659035578 969652674 /nfs/dbraw/zinc/65/26/74/969652674.db2.gz YFSVKOQEPBVBOI-JTDSTZFVSA-N 1 3 360.502 2.732 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659432467 969918579 /nfs/dbraw/zinc/91/85/79/969918579.db2.gz ZAKRTDQBCRALPF-ATZDWAIDSA-N 1 3 362.493 2.642 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659432467 969918585 /nfs/dbraw/zinc/91/85/85/969918585.db2.gz ZAKRTDQBCRALPF-ATZDWAIDSA-N 1 3 362.493 2.642 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2conc2C)C1)[NH+](CC)CC ZINC001104666667 970066690 /nfs/dbraw/zinc/06/66/90/970066690.db2.gz SQRJRERENZOCRQ-SUMDDJOVSA-N 1 3 364.534 2.678 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]Cc1cncs1 ZINC001104682312 970095698 /nfs/dbraw/zinc/09/56/98/970095698.db2.gz LGJISLBKBWRECH-HZPDHXFCSA-N 1 3 366.575 2.695 20 0 FFADHO Cc1oncc1C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682449 970098827 /nfs/dbraw/zinc/09/88/27/970098827.db2.gz QJPNFNUWMWSXRR-NVXWUHKLSA-N 1 3 364.534 2.535 20 0 FFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1F ZINC001104731917 970192802 /nfs/dbraw/zinc/19/28/02/970192802.db2.gz FSMMAZOUCKOWPC-NVXWUHKLSA-N 1 3 358.461 2.674 20 0 FFADHO CC[NH+](CC)CC1CCN([C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000659843626 970383138 /nfs/dbraw/zinc/38/31/38/970383138.db2.gz XCWRUNKXZAUELC-OAQYLSRUSA-N 1 3 373.541 2.850 20 0 FFADHO F[C@@H]1CC2(CC[C@H]1[NH2+]CC1CCN(Cc3ccncc3)CC1)OCCO2 ZINC000895345963 970433810 /nfs/dbraw/zinc/43/38/10/970433810.db2.gz AXSYFMFYMBYQEF-RTBURBONSA-N 1 3 363.477 2.517 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000893059612 970549201 /nfs/dbraw/zinc/54/92/01/970549201.db2.gz GMTMHBURSKURRF-XLIONFOSSA-N 1 3 358.530 2.948 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000665555666 972760319 /nfs/dbraw/zinc/76/03/19/972760319.db2.gz JQLLYIWBMKSREI-OALUTQOASA-N 1 3 358.530 2.775 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000665555666 972760328 /nfs/dbraw/zinc/76/03/28/972760328.db2.gz JQLLYIWBMKSREI-OALUTQOASA-N 1 3 358.530 2.775 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106173 972822458 /nfs/dbraw/zinc/82/24/58/972822458.db2.gz PBMBZWGFJMVNLN-NRSPTQNISA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106173 972822470 /nfs/dbraw/zinc/82/24/70/972822470.db2.gz PBMBZWGFJMVNLN-NRSPTQNISA-N 1 3 355.526 2.760 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CCN(C/C=C/Cl)C[C@H]3C2)c1 ZINC001088210411 973663137 /nfs/dbraw/zinc/66/31/37/973663137.db2.gz KNVHQVKVDBXITQ-PWEOZXLSSA-N 1 3 361.917 2.895 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001151994008 1032083680 /nfs/dbraw/zinc/08/36/80/1032083680.db2.gz ZSXXQZNBRGSJQD-BVYCBKJFSA-N 1 3 369.553 2.882 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)N1CCC(Cc2ccccc2)CC1 ZINC001151994008 1032083694 /nfs/dbraw/zinc/08/36/94/1032083694.db2.gz ZSXXQZNBRGSJQD-BVYCBKJFSA-N 1 3 369.553 2.882 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001116039354 1032084550 /nfs/dbraw/zinc/08/45/50/1032084550.db2.gz BXJMBKPDGCIMNJ-SJORKVTESA-N 1 3 368.591 2.520 20 0 FFADHO O=C(N1CCCN(CCCc2ccccc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662789054 974076687 /nfs/dbraw/zinc/07/66/87/974076687.db2.gz RHJZEWLELGTDOR-UHFFFAOYSA-N 1 3 355.526 2.828 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3nc4ccccc4o3)CC2)CC[N@@H+]1C ZINC000985441433 974089590 /nfs/dbraw/zinc/08/95/90/974089590.db2.gz ICTXDEPWLIEYDH-NVXWUHKLSA-N 1 3 370.497 2.591 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3nc4ccccc4o3)CC2)CC[N@H+]1C ZINC000985441433 974089598 /nfs/dbraw/zinc/08/95/98/974089598.db2.gz ICTXDEPWLIEYDH-NVXWUHKLSA-N 1 3 370.497 2.591 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000665761008 974094589 /nfs/dbraw/zinc/09/45/89/974094589.db2.gz UXIYEVAWCOLFDI-INIZCTEOSA-N 1 3 371.529 2.508 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000665761008 974094595 /nfs/dbraw/zinc/09/45/95/974094595.db2.gz UXIYEVAWCOLFDI-INIZCTEOSA-N 1 3 371.529 2.508 20 0 FFADHO Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000665761185 974095352 /nfs/dbraw/zinc/09/53/52/974095352.db2.gz ZWILYKKAECWVRE-PKOBYXMFSA-N 1 3 361.534 2.509 20 0 FFADHO Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000665761185 974095358 /nfs/dbraw/zinc/09/53/58/974095358.db2.gz ZWILYKKAECWVRE-PKOBYXMFSA-N 1 3 361.534 2.509 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC001029742222 974185236 /nfs/dbraw/zinc/18/52/36/974185236.db2.gz NVMGWBGFMFLZKA-ZRGWGRIASA-N 1 3 365.468 2.585 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC001029742222 974185238 /nfs/dbraw/zinc/18/52/38/974185238.db2.gz NVMGWBGFMFLZKA-ZRGWGRIASA-N 1 3 365.468 2.585 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000893485459 974650837 /nfs/dbraw/zinc/65/08/37/974650837.db2.gz YFYJQUVLQXMMJL-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000893485459 974650841 /nfs/dbraw/zinc/65/08/41/974650841.db2.gz YFYJQUVLQXMMJL-YZGWKJHDSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652281342 974765861 /nfs/dbraw/zinc/76/58/61/974765861.db2.gz VPOHPKJQGGWELT-UHFFFAOYSA-N 1 3 374.460 2.683 20 0 FFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)C1 ZINC001211674742 974937178 /nfs/dbraw/zinc/93/71/78/974937178.db2.gz ICWRLXGEUKQANQ-QZNDEENZSA-N 1 3 361.917 2.665 20 0 FFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C/Cl)C2)C1 ZINC001211674742 974937181 /nfs/dbraw/zinc/93/71/81/974937181.db2.gz ICWRLXGEUKQANQ-QZNDEENZSA-N 1 3 361.917 2.665 20 0 FFADHO CCCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529958 975369254 /nfs/dbraw/zinc/36/92/54/975369254.db2.gz XJGLTEYXFZOEPX-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(F)(F)F)C1 ZINC001112530016 975372334 /nfs/dbraw/zinc/37/23/34/975372334.db2.gz ZEFJUKIVCOOETF-ZOBUZTSGSA-N 1 3 361.452 2.641 20 0 FFADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291705 975407858 /nfs/dbraw/zinc/40/78/58/975407858.db2.gz XVZFGHRIVGOUHU-NQIIRXRSSA-N 1 3 357.542 2.754 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297815 975410599 /nfs/dbraw/zinc/41/05/99/975410599.db2.gz SGIUQCBWLZXFFL-WMZOPIPTSA-N 1 3 359.514 2.584 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662297838 975410750 /nfs/dbraw/zinc/41/07/50/975410750.db2.gz SIKQEPIOLMBALU-HXUWFJFHSA-N 1 3 373.541 2.803 20 0 FFADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662557019 975700391 /nfs/dbraw/zinc/70/03/91/975700391.db2.gz ZCTZIQBRORFEEM-DYXWJJEUSA-N 1 3 367.493 2.522 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC001027891611 975720873 /nfs/dbraw/zinc/72/08/73/975720873.db2.gz CGZKVXQUTYAAAS-HHXXYDBFSA-N 1 3 355.482 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2cc3ccccc3o2)CC[N@H+]1C ZINC001027891611 975720881 /nfs/dbraw/zinc/72/08/81/975720881.db2.gz CGZKVXQUTYAAAS-HHXXYDBFSA-N 1 3 355.482 2.854 20 0 FFADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCC1CCN(Cc2ccncc2)CC1 ZINC000662637927 975773482 /nfs/dbraw/zinc/77/34/82/975773482.db2.gz MLOOSFXLSUEWLA-NRFANRHFSA-N 1 3 364.493 2.644 20 0 FFADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC1CCN(Cc2ccncc2)CC1 ZINC000662637928 975773643 /nfs/dbraw/zinc/77/36/43/975773643.db2.gz MLOOSFXLSUEWLA-OAQYLSRUSA-N 1 3 364.493 2.644 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C[C@@H](C)O1 ZINC000662687261 975826068 /nfs/dbraw/zinc/82/60/68/975826068.db2.gz FYJZXBVZLMLTCG-HLIPFELVSA-N 1 3 373.541 2.684 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000663420182 975848652 /nfs/dbraw/zinc/84/86/52/975848652.db2.gz LYXQVXHNZRSGNV-QUCCMNQESA-N 1 3 358.530 2.711 20 0 FFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000663420182 975848664 /nfs/dbraw/zinc/84/86/64/975848664.db2.gz LYXQVXHNZRSGNV-QUCCMNQESA-N 1 3 358.530 2.711 20 0 FFADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466858 975978070 /nfs/dbraw/zinc/97/80/70/975978070.db2.gz ALSKGDJWRTWATJ-RXVVDRJESA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466858 975978084 /nfs/dbraw/zinc/97/80/84/975978084.db2.gz ALSKGDJWRTWATJ-RXVVDRJESA-N 1 3 357.542 2.836 20 0 FFADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466858 975978096 /nfs/dbraw/zinc/97/80/96/975978096.db2.gz ALSKGDJWRTWATJ-RXVVDRJESA-N 1 3 357.542 2.836 20 0 FFADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1Cc1nc2c(s1)CNCC2 ZINC000663493508 976046666 /nfs/dbraw/zinc/04/66/66/976046666.db2.gz INZPUDRLWMTFJS-IEBWSBKVSA-N 1 3 370.566 2.961 20 0 FFADHO C[NH2+]CCCC(=O)N1CCC(NCc2csc(-c3ccccc3)n2)CC1 ZINC000663504440 976070544 /nfs/dbraw/zinc/07/05/44/976070544.db2.gz XKKWLBCBFVFGJD-UHFFFAOYSA-N 1 3 372.538 2.890 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C(F)F)nc3)CC2)CC1 ZINC000667625970 976518444 /nfs/dbraw/zinc/51/84/44/976518444.db2.gz FRVMONIVYOEGDO-UHFFFAOYSA-N 1 3 367.444 2.699 20 0 FFADHO Cc1ccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@@H]23)c(C)n1 ZINC000990761644 976960398 /nfs/dbraw/zinc/96/03/98/976960398.db2.gz JVQZGFUQKUTKRS-RQGSJKACSA-N 1 3 370.541 2.652 20 0 FFADHO Cc1ccc(CN2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)c(C)n1 ZINC000990761644 976960407 /nfs/dbraw/zinc/96/04/07/976960407.db2.gz JVQZGFUQKUTKRS-RQGSJKACSA-N 1 3 370.541 2.652 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793605 977039836 /nfs/dbraw/zinc/03/98/36/977039836.db2.gz GSXDAECHNRJSAU-IYBDPMFKSA-N 1 3 359.518 2.607 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793605 977039846 /nfs/dbraw/zinc/03/98/46/977039846.db2.gz GSXDAECHNRJSAU-IYBDPMFKSA-N 1 3 359.518 2.607 20 0 FFADHO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3occc3CN(C)C)[C@H]2C)cc1 ZINC001088822795 977176152 /nfs/dbraw/zinc/17/61/52/977176152.db2.gz INKFYLIQCSDZML-BEFAXECRSA-N 1 3 371.481 2.743 20 0 FFADHO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3occc3CN(C)C)[C@H]2C)cc1 ZINC001088822795 977176156 /nfs/dbraw/zinc/17/61/56/977176156.db2.gz INKFYLIQCSDZML-BEFAXECRSA-N 1 3 371.481 2.743 20 0 FFADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000876896795 1014412432 /nfs/dbraw/zinc/41/24/32/1014412432.db2.gz MZCSFQWMNYUWAS-OPECEQKHSA-N 1 3 356.514 2.567 20 0 FFADHO CC(C)=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087443605 977583263 /nfs/dbraw/zinc/58/32/63/977583263.db2.gz VKVYPTLKMKXIES-PWRODBHTSA-N 1 3 355.526 2.879 20 0 FFADHO CC(C)=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087443605 977583271 /nfs/dbraw/zinc/58/32/71/977583271.db2.gz VKVYPTLKMKXIES-PWRODBHTSA-N 1 3 355.526 2.879 20 0 FFADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001087457476 977891141 /nfs/dbraw/zinc/89/11/41/977891141.db2.gz CBRUIWIHQQCJEY-SMMRIJLZSA-N 1 3 361.505 2.850 20 0 FFADHO CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001087457476 977891151 /nfs/dbraw/zinc/89/11/51/977891151.db2.gz CBRUIWIHQQCJEY-SMMRIJLZSA-N 1 3 361.505 2.850 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248991675 977900258 /nfs/dbraw/zinc/90/02/58/977900258.db2.gz NQJACAFRJXUGAU-MKXAEBJUSA-N 1 3 367.534 2.962 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248991675 977900265 /nfs/dbraw/zinc/90/02/65/977900265.db2.gz NQJACAFRJXUGAU-MKXAEBJUSA-N 1 3 367.534 2.962 20 0 FFADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248991675 977900271 /nfs/dbraw/zinc/90/02/71/977900271.db2.gz NQJACAFRJXUGAU-MKXAEBJUSA-N 1 3 367.534 2.962 20 0 FFADHO CCCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000645178160 977925881 /nfs/dbraw/zinc/92/58/81/977925881.db2.gz ARXJCHVRPDAPAK-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CCCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645178160 977925885 /nfs/dbraw/zinc/92/58/85/977925885.db2.gz ARXJCHVRPDAPAK-PMACEKPBSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000664125685 978049363 /nfs/dbraw/zinc/04/93/63/978049363.db2.gz DYZSBFZKBAVOPN-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664125685 978049372 /nfs/dbraw/zinc/04/93/72/978049372.db2.gz DYZSBFZKBAVOPN-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccc(Cl)cc2OC)CC[N@@H+]1C ZINC001268686724 978364900 /nfs/dbraw/zinc/36/49/00/978364900.db2.gz NZJUYIKWTCLUIA-RRQGHBQHSA-N 1 3 367.921 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccc(Cl)cc2OC)CC[N@H+]1C ZINC001268686724 978364911 /nfs/dbraw/zinc/36/49/11/978364911.db2.gz NZJUYIKWTCLUIA-RRQGHBQHSA-N 1 3 367.921 2.673 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000664264197 978467397 /nfs/dbraw/zinc/46/73/97/978467397.db2.gz VRFAJUITBGWLTF-GJZGRUSLSA-N 1 3 370.488 2.640 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1F ZINC000664264197 978467405 /nfs/dbraw/zinc/46/74/05/978467405.db2.gz VRFAJUITBGWLTF-GJZGRUSLSA-N 1 3 370.488 2.640 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001076085758 979094489 /nfs/dbraw/zinc/09/44/89/979094489.db2.gz ATURGMNESFPGTI-PWRODBHTSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001076085758 979094491 /nfs/dbraw/zinc/09/44/91/979094491.db2.gz ATURGMNESFPGTI-PWRODBHTSA-N 1 3 359.558 2.974 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088317692 979139916 /nfs/dbraw/zinc/13/99/16/979139916.db2.gz LRGKLOOXQXNHNI-GUDVDZBRSA-N 1 3 358.530 2.591 20 0 FFADHO Cc1cccnc1CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088317692 979139921 /nfs/dbraw/zinc/13/99/21/979139921.db2.gz LRGKLOOXQXNHNI-GUDVDZBRSA-N 1 3 358.530 2.591 20 0 FFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877360302 1014562292 /nfs/dbraw/zinc/56/22/92/1014562292.db2.gz LWNYLOWXEZCCCR-RISCZKNCSA-N 1 3 369.387 2.704 20 0 FFADHO C[C@H]1NCCn2c(-c3nc(-c4ccc(OCC[NH+](C)C)cc4)no3)ccc21 ZINC000904552165 980298908 /nfs/dbraw/zinc/29/89/08/980298908.db2.gz MKZAYSZXOUVSOJ-CQSZACIVSA-N 1 3 367.453 2.810 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000666487339 980909566 /nfs/dbraw/zinc/90/95/66/980909566.db2.gz QXZWGYFFUTWSDU-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000666487339 980909569 /nfs/dbraw/zinc/90/95/69/980909569.db2.gz QXZWGYFFUTWSDU-HNNXBMFYSA-N 1 3 359.474 2.735 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000654445026 1014719706 /nfs/dbraw/zinc/71/97/06/1014719706.db2.gz IJFLBAVTFJNMFO-YZGWKJHDSA-N 1 3 358.530 2.853 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCOCC2)[C@@H]1C ZINC001088605564 981422688 /nfs/dbraw/zinc/42/26/88/981422688.db2.gz WQEMJDJGYIDPGX-HOJAQTOUSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCOCC2)[C@@H]1C ZINC001088605564 981422690 /nfs/dbraw/zinc/42/26/90/981422690.db2.gz WQEMJDJGYIDPGX-HOJAQTOUSA-N 1 3 365.562 2.647 20 0 FFADHO C[C@@H](CCNCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482832536 981558415 /nfs/dbraw/zinc/55/84/15/981558415.db2.gz GAJFXQHVDZAZOS-BFHYXJOUSA-N 1 3 355.885 2.804 20 0 FFADHO C[C@@H](CCNCc1c(F)cccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482832536 981558420 /nfs/dbraw/zinc/55/84/20/981558420.db2.gz GAJFXQHVDZAZOS-BFHYXJOUSA-N 1 3 355.885 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H](C)c2cccc(OC)c2)CC[N@@H+]1C ZINC001483010038 981979426 /nfs/dbraw/zinc/97/94/26/981979426.db2.gz YQLDIZZXMSOAJC-ZHPMNHGISA-N 1 3 359.514 2.749 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H](C)c2cccc(OC)c2)CC[N@H+]1C ZINC001483010038 981979432 /nfs/dbraw/zinc/97/94/32/981979432.db2.gz YQLDIZZXMSOAJC-ZHPMNHGISA-N 1 3 359.514 2.749 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000897853742 982536987 /nfs/dbraw/zinc/53/69/87/982536987.db2.gz WMZVHPPVLGZPEG-TZIWHRDSSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000897853742 982536994 /nfs/dbraw/zinc/53/69/94/982536994.db2.gz WMZVHPPVLGZPEG-TZIWHRDSSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000897875570 982541406 /nfs/dbraw/zinc/54/14/06/982541406.db2.gz GMQVNIYYYIAXBO-PZJWPPBQSA-N 1 3 359.514 2.679 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000897875570 982541411 /nfs/dbraw/zinc/54/14/11/982541411.db2.gz GMQVNIYYYIAXBO-PZJWPPBQSA-N 1 3 359.514 2.679 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C ZINC001088693354 982798463 /nfs/dbraw/zinc/79/84/63/982798463.db2.gz WLFMJQBBKQHNCU-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C ZINC001088693354 982798472 /nfs/dbraw/zinc/79/84/72/982798472.db2.gz WLFMJQBBKQHNCU-YZGWKJHDSA-N 1 3 365.562 2.503 20 0 FFADHO CN(CCc1ccc(C(N)=O)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878150508 1014882639 /nfs/dbraw/zinc/88/26/39/1014882639.db2.gz KSMFGKJKQUQHCQ-HXUWFJFHSA-N 1 3 351.494 2.782 20 0 FFADHO CN(CCc1ccc(C(N)=O)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878150508 1014882656 /nfs/dbraw/zinc/88/26/56/1014882656.db2.gz KSMFGKJKQUQHCQ-HXUWFJFHSA-N 1 3 351.494 2.782 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001088703057 983022177 /nfs/dbraw/zinc/02/21/77/983022177.db2.gz ZBDJNFXHPLZQBW-PMPSAXMXSA-N 1 3 355.473 2.629 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC001088703057 983022184 /nfs/dbraw/zinc/02/21/84/983022184.db2.gz ZBDJNFXHPLZQBW-PMPSAXMXSA-N 1 3 355.473 2.629 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCOC)CC2 ZINC001107582522 984732965 /nfs/dbraw/zinc/73/29/65/984732965.db2.gz IDOGLIGKJNXSGJ-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCOC)CC2 ZINC001107582522 984732968 /nfs/dbraw/zinc/73/29/68/984732968.db2.gz IDOGLIGKJNXSGJ-UYAOXDASSA-N 1 3 353.551 2.506 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669562563 984784472 /nfs/dbraw/zinc/78/44/72/984784472.db2.gz MDQZQFOXJHNKRM-UFYCRDLUSA-N 1 3 358.530 2.536 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC[C@@H]1CCOC1)CC2 ZINC001107646100 984913999 /nfs/dbraw/zinc/91/39/99/984913999.db2.gz CDHRBJNUEBKHBO-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC[C@@H]1CCOC1)CC2 ZINC001107646100 984914010 /nfs/dbraw/zinc/91/40/10/984914010.db2.gz CDHRBJNUEBKHBO-SFHLNBCPSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646314 984935889 /nfs/dbraw/zinc/93/58/89/984935889.db2.gz GXPIJZATHIBZJL-TZIWHRDSSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)CCOCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646314 984935892 /nfs/dbraw/zinc/93/58/92/984935892.db2.gz GXPIJZATHIBZJL-TZIWHRDSSA-N 1 3 367.578 2.750 20 0 FFADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1cccc(F)c1 ZINC000765290296 985016261 /nfs/dbraw/zinc/01/62/61/985016261.db2.gz PYOKXXAPUHWULE-NRFANRHFSA-N 1 3 372.484 2.862 20 0 FFADHO Cc1ccc(CCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001032411258 985257280 /nfs/dbraw/zinc/25/72/80/985257280.db2.gz KSAOZISCQZHGAE-BVOGOJNSSA-N 1 3 355.526 2.553 20 0 FFADHO Cc1ccc(CCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001032411258 985257289 /nfs/dbraw/zinc/25/72/89/985257289.db2.gz KSAOZISCQZHGAE-BVOGOJNSSA-N 1 3 355.526 2.553 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ccc2c(c1)CCC2 ZINC001088899268 985384914 /nfs/dbraw/zinc/38/49/14/985384914.db2.gz VLOHTLGMOCALOK-VGSWGCGISA-N 1 3 369.553 2.986 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)[C@@H]1C ZINC001088970506 985685458 /nfs/dbraw/zinc/68/54/58/985685458.db2.gz DBRZIURFKQWYOA-HOJAQTOUSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)[C@@H]1C ZINC001088970506 985685461 /nfs/dbraw/zinc/68/54/61/985685461.db2.gz DBRZIURFKQWYOA-HOJAQTOUSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001089039906 986061824 /nfs/dbraw/zinc/06/18/24/986061824.db2.gz MZLJNFKVRJSKSW-MJGOQNOKSA-N 1 3 359.514 2.649 20 0 FFADHO CC(C)Oc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001089039906 986061834 /nfs/dbraw/zinc/06/18/34/986061834.db2.gz MZLJNFKVRJSKSW-MJGOQNOKSA-N 1 3 359.514 2.649 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000418202104 986169816 /nfs/dbraw/zinc/16/98/16/986169816.db2.gz INJSNHGOJWYJGL-SCTDSRPQSA-N 1 3 362.518 2.646 20 0 FFADHO CCc1ccc(CCN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001007376350 1015210212 /nfs/dbraw/zinc/21/02/12/1015210212.db2.gz INAFYDHIOONOFV-JRGCBEDISA-N 1 3 357.542 2.712 20 0 FFADHO CCc1ccc(CCN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001007376350 1015210218 /nfs/dbraw/zinc/21/02/18/1015210218.db2.gz INAFYDHIOONOFV-JRGCBEDISA-N 1 3 357.542 2.712 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCCc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001007377539 1015211601 /nfs/dbraw/zinc/21/16/01/1015211601.db2.gz WIDLFXMKEORUOT-NSISKUIASA-N 1 3 361.505 2.679 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCCc3cccc(F)c3)C2)CC[N@H+]1C ZINC001007377539 1015211608 /nfs/dbraw/zinc/21/16/08/1015211608.db2.gz WIDLFXMKEORUOT-NSISKUIASA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CCc2ccccc2C1 ZINC000518137220 986377914 /nfs/dbraw/zinc/37/79/14/986377914.db2.gz ADWRXNCXUUNOGH-IFMALSPDSA-N 1 3 370.541 2.608 20 0 FFADHO CCc1csc(CC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)n1 ZINC000655947358 986713270 /nfs/dbraw/zinc/71/32/70/986713270.db2.gz RPIHGMWGZPOWNZ-PMACEKPBSA-N 1 3 373.566 2.891 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430278 986765305 /nfs/dbraw/zinc/76/53/05/986765305.db2.gz HLUKMICAIVUGDX-VAMGGRTRSA-N 1 3 365.562 2.647 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430278 986765313 /nfs/dbraw/zinc/76/53/13/986765313.db2.gz HLUKMICAIVUGDX-VAMGGRTRSA-N 1 3 365.562 2.647 20 0 FFADHO COc1ccc([C@@H]2C[C@@H](N3CCN(CC[NH+]4CCCC4)CC3)CCO2)cc1 ZINC001168664653 986963926 /nfs/dbraw/zinc/96/39/26/986963926.db2.gz IRQXSQBLESAQMN-UNMCSNQZSA-N 1 3 373.541 2.629 20 0 FFADHO CN(C)CC[NH+]1CCC(Nc2nccc(N3CCCC(C)(C)C3)n2)CC1 ZINC000656107965 986989774 /nfs/dbraw/zinc/98/97/74/986989774.db2.gz HYCCAZCMMXPXSY-UHFFFAOYSA-N 1 3 360.550 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C2)CC[N@@H+]1C ZINC001106151434 987282250 /nfs/dbraw/zinc/28/22/50/987282250.db2.gz RXLDWJWLFQHGBD-LIDFVWLTSA-N 1 3 362.345 2.720 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C2)CC[N@H+]1C ZINC001106151434 987282255 /nfs/dbraw/zinc/28/22/55/987282255.db2.gz RXLDWJWLFQHGBD-LIDFVWLTSA-N 1 3 362.345 2.720 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000672602866 987503786 /nfs/dbraw/zinc/50/37/86/987503786.db2.gz KAYDFNWYHALKMG-FGTMMUONSA-N 1 3 357.502 2.807 20 0 FFADHO CC[C@H](C)CN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496043 987767449 /nfs/dbraw/zinc/76/74/49/987767449.db2.gz WIHGDJNJWXNCHM-CGTJXYLNSA-N 1 3 353.551 2.501 20 0 FFADHO CC[C@H](C)CN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212496043 987767452 /nfs/dbraw/zinc/76/74/52/987767452.db2.gz WIHGDJNJWXNCHM-CGTJXYLNSA-N 1 3 353.551 2.501 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106271313 987801191 /nfs/dbraw/zinc/80/11/91/987801191.db2.gz AGSQMOIMWLWWTF-UVJSEXORSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CNC/C(Cl)=C\Cl ZINC001106271313 987801197 /nfs/dbraw/zinc/80/11/97/987801197.db2.gz AGSQMOIMWLWWTF-UVJSEXORSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1)[NH+](C)C ZINC001106281771 987838157 /nfs/dbraw/zinc/83/81/57/987838157.db2.gz BSIVMHQNQKBQPF-YALWURKWSA-N 1 3 350.334 2.576 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000673235963 987894816 /nfs/dbraw/zinc/89/48/16/987894816.db2.gz HITKXVFLCBIWNZ-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H](CC[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000922254887 988262341 /nfs/dbraw/zinc/26/23/41/988262341.db2.gz OVWGZGJBDJMALA-IRXDYDNUSA-N 1 3 369.550 2.865 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cccc(OC3CC3)c1F)C2 ZINC000922390224 988546062 /nfs/dbraw/zinc/54/60/62/988546062.db2.gz LUXKYZSTHVNLEO-SGLNWRHMSA-N 1 3 362.489 2.936 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cccc(OC3CC3)c1F)C2 ZINC000922390224 988546069 /nfs/dbraw/zinc/54/60/69/988546069.db2.gz LUXKYZSTHVNLEO-SGLNWRHMSA-N 1 3 362.489 2.936 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000922390791 988547684 /nfs/dbraw/zinc/54/76/84/988547684.db2.gz OWFZQFOFFYQIGY-PSWRPDDJSA-N 1 3 368.525 2.750 20 0 FFADHO Cc1ccccc1-n1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000922390791 988547692 /nfs/dbraw/zinc/54/76/92/988547692.db2.gz OWFZQFOFFYQIGY-PSWRPDDJSA-N 1 3 368.525 2.750 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001033092060 988772807 /nfs/dbraw/zinc/77/28/07/988772807.db2.gz QSBBESDAEIRLLU-AYOQOUSVSA-N 1 3 354.498 2.541 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001033092060 988772815 /nfs/dbraw/zinc/77/28/15/988772815.db2.gz QSBBESDAEIRLLU-AYOQOUSVSA-N 1 3 354.498 2.541 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000193698748 988831484 /nfs/dbraw/zinc/83/14/84/988831484.db2.gz UQDFTJFMTGYTHE-OAQYLSRUSA-N 1 3 370.541 2.997 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193770429 988918685 /nfs/dbraw/zinc/91/86/85/988918685.db2.gz FDFIHZDVGHCNHF-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC001106778336 989032009 /nfs/dbraw/zinc/03/20/09/989032009.db2.gz DLQMOMVXXBYXFG-DYESRHJHSA-N 1 3 357.542 2.701 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCc2cccc(C)c2)[C@H](C)C1 ZINC001106783968 989045082 /nfs/dbraw/zinc/04/50/82/989045082.db2.gz YIRXJKVTSPEDCD-TZIWHRDSSA-N 1 3 359.558 2.954 20 0 FFADHO CC(C)(CNC(=O)NCCC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000652131223 1015473101 /nfs/dbraw/zinc/47/31/01/1015473101.db2.gz QWBCMDFIAGLAAY-UHFFFAOYSA-N 1 3 358.530 2.512 20 0 FFADHO Cc1cc2ncn(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c2cc1C ZINC000763335052 989693717 /nfs/dbraw/zinc/69/37/17/989693717.db2.gz KSXJSBGVYAFLDA-UYAOXDASSA-N 1 3 355.530 2.568 20 0 FFADHO Cc1cc2ncn(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c2cc1C ZINC000763335052 989693718 /nfs/dbraw/zinc/69/37/18/989693718.db2.gz KSXJSBGVYAFLDA-UYAOXDASSA-N 1 3 355.530 2.568 20 0 FFADHO Cc1cc2ncn(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2cc1C ZINC000763335052 989693721 /nfs/dbraw/zinc/69/37/21/989693721.db2.gz KSXJSBGVYAFLDA-UYAOXDASSA-N 1 3 355.530 2.568 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000674706788 989890322 /nfs/dbraw/zinc/89/03/22/989890322.db2.gz LJOPJXQPJLGBHQ-GGPKGHCWSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C[N@H+]1C1CC1 ZINC000674706788 989890325 /nfs/dbraw/zinc/89/03/25/989890325.db2.gz LJOPJXQPJLGBHQ-GGPKGHCWSA-N 1 3 370.541 2.918 20 0 FFADHO COc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001034214472 989969988 /nfs/dbraw/zinc/96/99/88/989969988.db2.gz MZLMNKMCWHGIJL-YVWKXTFCSA-N 1 3 359.514 2.506 20 0 FFADHO COc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001034214472 989969996 /nfs/dbraw/zinc/96/99/96/989969996.db2.gz MZLMNKMCWHGIJL-YVWKXTFCSA-N 1 3 359.514 2.506 20 0 FFADHO O=C1OCCN1CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000766128021 990235705 /nfs/dbraw/zinc/23/57/05/990235705.db2.gz HXRNZPLDZCTIHJ-PMACEKPBSA-N 1 3 357.498 2.815 20 0 FFADHO O=C1OCCN1CCC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000766128021 990235708 /nfs/dbraw/zinc/23/57/08/990235708.db2.gz HXRNZPLDZCTIHJ-PMACEKPBSA-N 1 3 357.498 2.815 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccn3)CC(C)(C)C2)CC[N@@H+]1C ZINC001089388601 990259205 /nfs/dbraw/zinc/25/92/05/990259205.db2.gz DYSMWJJNLMGCNJ-ZIFCJYIRSA-N 1 3 358.530 2.529 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccn3)CC(C)(C)C2)CC[N@H+]1C ZINC001089388601 990259213 /nfs/dbraw/zinc/25/92/13/990259213.db2.gz DYSMWJJNLMGCNJ-ZIFCJYIRSA-N 1 3 358.530 2.529 20 0 FFADHO Cc1ccccc1NC(=O)C[C@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000676056403 990453680 /nfs/dbraw/zinc/45/36/80/990453680.db2.gz DUKAXWRAMCCDNZ-KRWDZBQOSA-N 1 3 370.497 2.837 20 0 FFADHO Cc1c(-c2cc(CN3CCC([C@@H]4CCC[NH2+]CC4)CC3)on2)cnn1C ZINC000923507505 991198452 /nfs/dbraw/zinc/19/84/52/991198452.db2.gz OSCOHBQTBIIWGG-MRXNPFEDSA-N 1 3 357.502 2.985 20 0 FFADHO N[C@@H](CC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccccc1 ZINC000237903588 991384355 /nfs/dbraw/zinc/38/43/55/991384355.db2.gz IQGVHNHJFIWPHO-SFHVURJKSA-N 1 3 367.449 2.624 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)[C@H](C)C1 ZINC001106907766 991435865 /nfs/dbraw/zinc/43/58/65/991435865.db2.gz BNSKNGGCYHWBJE-MDYRTPRTSA-N 1 3 361.505 2.839 20 0 FFADHO Cc1nc(CNCC(C)(C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001485251458 991877509 /nfs/dbraw/zinc/87/75/09/991877509.db2.gz HIYNRTOWBIGGLK-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1nc(CNCC(C)(C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001485251458 991877518 /nfs/dbraw/zinc/87/75/18/991877518.db2.gz HIYNRTOWBIGGLK-CZUORRHYSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)cc1 ZINC001079940492 992611651 /nfs/dbraw/zinc/61/16/51/992611651.db2.gz OONANMWAZOUVBJ-UYAOXDASSA-N 1 3 355.526 2.808 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCC(C)C)[C@H](C)C1 ZINC001107036160 993284759 /nfs/dbraw/zinc/28/47/59/993284759.db2.gz GBRAJTKAQCTDLA-AQNXPRMDSA-N 1 3 367.578 2.608 20 0 FFADHO CO[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC001081799162 993975834 /nfs/dbraw/zinc/97/58/34/993975834.db2.gz FJEVIPLVPCAKPQ-CEXWTWQISA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC001081799162 993975839 /nfs/dbraw/zinc/97/58/39/993975839.db2.gz FJEVIPLVPCAKPQ-CEXWTWQISA-N 1 3 365.562 2.645 20 0 FFADHO C[C@H](Nc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1)[C@H]1CNCCO1 ZINC001170571616 994413887 /nfs/dbraw/zinc/41/38/87/994413887.db2.gz NKKVYPWQWFUJFZ-UCNVEGJOSA-N 1 3 368.525 2.954 20 0 FFADHO C[C@H](Nc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1)[C@H]1CNCCO1 ZINC001170571610 994414437 /nfs/dbraw/zinc/41/44/37/994414437.db2.gz NKKVYPWQWFUJFZ-RBDMOPTHSA-N 1 3 368.525 2.954 20 0 FFADHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001131582988 994428748 /nfs/dbraw/zinc/42/87/48/994428748.db2.gz JZBSOIPBRIDIPV-QUCCMNQESA-N 1 3 367.578 2.750 20 0 FFADHO Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001082511622 994758486 /nfs/dbraw/zinc/75/84/86/994758486.db2.gz HCZXBKXQZKOSOG-VQIMIIECSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC001082557279 994925094 /nfs/dbraw/zinc/92/50/94/994925094.db2.gz VOUMAPGJQHUPNM-OXQOHEQNSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1ccc(CN[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)c(Cl)c1 ZINC001082559993 994935556 /nfs/dbraw/zinc/93/55/56/994935556.db2.gz WIKTVLCVJLHHDX-ZMYBRWDISA-N 1 3 363.933 2.925 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001082562024 994943887 /nfs/dbraw/zinc/94/38/87/994943887.db2.gz HYLHPBSPLTYFKC-KGVIQGDOSA-N 1 3 369.553 2.712 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC(C)C)C1)N(C)C ZINC001082747392 995302572 /nfs/dbraw/zinc/30/25/72/995302572.db2.gz PZZFPBOBOLHYCX-QRQLOZEOSA-N 1 3 361.530 2.751 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001082724845 995361979 /nfs/dbraw/zinc/36/19/79/995361979.db2.gz OTYMRSALQSSIKH-DJIMGWMZSA-N 1 3 359.505 2.835 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC001170681080 995467381 /nfs/dbraw/zinc/46/73/81/995467381.db2.gz FSFNBSAVOIQAFV-KRWDZBQOSA-N 1 3 361.493 2.964 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C)c1 ZINC001082782717 995489392 /nfs/dbraw/zinc/48/93/92/995489392.db2.gz MIRWRMZTHYWBAO-RLLQIKCJSA-N 1 3 358.530 2.589 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001082782729 995490142 /nfs/dbraw/zinc/49/01/42/995490142.db2.gz NHVHWQFQRGLZGP-OIISXLGYSA-N 1 3 364.559 2.651 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001082783244 995491704 /nfs/dbraw/zinc/49/17/04/995491704.db2.gz KHEIFTZXZFYYLC-OIISXLGYSA-N 1 3 357.489 2.731 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001082941974 995877298 /nfs/dbraw/zinc/87/72/98/995877298.db2.gz WWUPLWCLBPFUMM-RDTXWAMCSA-N 1 3 364.559 2.572 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3ccc(C)cc3)C[C@H]21 ZINC001084388702 996530131 /nfs/dbraw/zinc/53/01/31/996530131.db2.gz AZHLSISULYAENB-YPAWHYETSA-N 1 3 369.553 2.945 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCc3ccc(C)cc3)C[C@H]21 ZINC001084388702 996530132 /nfs/dbraw/zinc/53/01/32/996530132.db2.gz AZHLSISULYAENB-YPAWHYETSA-N 1 3 369.553 2.945 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCc3ccc(C)cc3)C[C@H]21 ZINC001084388702 996530137 /nfs/dbraw/zinc/53/01/37/996530137.db2.gz AZHLSISULYAENB-YPAWHYETSA-N 1 3 369.553 2.945 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCc3ccc(C)cc3)C[C@H]21 ZINC001084388702 996530139 /nfs/dbraw/zinc/53/01/39/996530139.db2.gz AZHLSISULYAENB-YPAWHYETSA-N 1 3 369.553 2.945 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)C1 ZINC001084403399 996546588 /nfs/dbraw/zinc/54/65/88/996546588.db2.gz SGGBJCFXBXQPLP-KZNAEPCWSA-N 1 3 369.500 2.542 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CC4CC(F)(F)C4)C[C@H]32)C1 ZINC001084403399 996546593 /nfs/dbraw/zinc/54/65/93/996546593.db2.gz SGGBJCFXBXQPLP-KZNAEPCWSA-N 1 3 369.500 2.542 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000677053734 1016088990 /nfs/dbraw/zinc/08/89/90/1016088990.db2.gz KOEICMRCJFZJFM-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000677053734 1016089000 /nfs/dbraw/zinc/08/90/00/1016089000.db2.gz KOEICMRCJFZJFM-YZGWKJHDSA-N 1 3 358.530 2.681 20 0 FFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3c[nH]c4cc(C)ccc34)CC[C@@H]2C1 ZINC001136971671 997167824 /nfs/dbraw/zinc/16/78/24/997167824.db2.gz KYDJAAVNGLIJHH-DYESRHJHSA-N 1 3 357.498 2.645 20 0 FFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3c[nH]c4cc(C)ccc34)CC[C@@H]2C1 ZINC001136971671 997167838 /nfs/dbraw/zinc/16/78/38/997167838.db2.gz KYDJAAVNGLIJHH-DYESRHJHSA-N 1 3 357.498 2.645 20 0 FFADHO COc1ccc([C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2[NH2+]C(C)C)cc1 ZINC001090875010 997530269 /nfs/dbraw/zinc/53/02/69/997530269.db2.gz ZHOGYPBGJPNPBK-ZCNNSNEGSA-N 1 3 361.530 2.574 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1 ZINC001084831517 997581355 /nfs/dbraw/zinc/58/13/55/997581355.db2.gz ONUXZFZLNMABHD-BHIFYINESA-N 1 3 369.553 2.870 20 0 FFADHO CC(C)Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1 ZINC001084831517 997581365 /nfs/dbraw/zinc/58/13/65/997581365.db2.gz ONUXZFZLNMABHD-BHIFYINESA-N 1 3 369.553 2.870 20 0 FFADHO Cc1ccc(CNC(=O)C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)cc1F ZINC000903722874 1016154831 /nfs/dbraw/zinc/15/48/31/1016154831.db2.gz FAWPOQCNOLWYBO-SFHVURJKSA-N 1 3 361.505 2.852 20 0 FFADHO FC(F)(F)c1ccn([C@@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755427 1016177983 /nfs/dbraw/zinc/17/79/83/1016177983.db2.gz GZFHOBQETHAMPM-HUUCEWRRSA-N 1 3 372.435 2.698 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)CC[N@@H+]1C ZINC001084943961 998240796 /nfs/dbraw/zinc/24/07/96/998240796.db2.gz KEWFDFSPDHJVMX-CXLYLDMRSA-N 1 3 367.537 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C/C=C\c4ccccc4)[C@H]3C2)CC[N@H+]1C ZINC001084943961 998240809 /nfs/dbraw/zinc/24/08/09/998240809.db2.gz KEWFDFSPDHJVMX-CXLYLDMRSA-N 1 3 367.537 2.963 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084962537 998373800 /nfs/dbraw/zinc/37/38/00/998373800.db2.gz UFMCVCMWJZVIKK-GIVPXCGWSA-N 1 3 370.541 2.687 20 0 FFADHO Cc1ncccc1CN1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962537 998373812 /nfs/dbraw/zinc/37/38/12/998373812.db2.gz UFMCVCMWJZVIKK-GIVPXCGWSA-N 1 3 370.541 2.687 20 0 FFADHO CC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001273248997 998512135 /nfs/dbraw/zinc/51/21/35/998512135.db2.gz QHABEGAHYQKPFV-JYJNAYRXSA-N 1 3 361.452 2.736 20 0 FFADHO CC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)C1 ZINC001273248997 998512149 /nfs/dbraw/zinc/51/21/49/998512149.db2.gz QHABEGAHYQKPFV-JYJNAYRXSA-N 1 3 361.452 2.736 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCc3cccs3)[C@H]2C1)N(C)C ZINC001085025396 998704828 /nfs/dbraw/zinc/70/48/28/998704828.db2.gz YGOPMZNIWXKKIM-NZSAHSFTSA-N 1 3 363.571 2.800 20 0 FFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCc3cccs3)[C@H]2C1)N(C)C ZINC001085025396 998704832 /nfs/dbraw/zinc/70/48/32/998704832.db2.gz YGOPMZNIWXKKIM-NZSAHSFTSA-N 1 3 363.571 2.800 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000903840787 1016252450 /nfs/dbraw/zinc/25/24/50/1016252450.db2.gz UNLVIWFKJRPMPP-FIRPJDEBSA-N 1 3 352.478 2.905 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1)N1CCCCC1 ZINC001085198739 999150603 /nfs/dbraw/zinc/15/06/03/999150603.db2.gz HSTOTVRSMJDFCL-RTBURBONSA-N 1 3 365.562 2.695 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)CC[N@@H+]1C ZINC001085204066 999157670 /nfs/dbraw/zinc/15/76/70/999157670.db2.gz SGPBIUYGHGJIBL-ZQNRLITLSA-N 1 3 365.468 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)CC[N@H+]1C ZINC001085204066 999157674 /nfs/dbraw/zinc/15/76/74/999157674.db2.gz SGPBIUYGHGJIBL-ZQNRLITLSA-N 1 3 365.468 2.822 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(Cl)cc2F)C1 ZINC001085422067 999496266 /nfs/dbraw/zinc/49/62/66/999496266.db2.gz GQGHUJDNDBHBBH-ZTFGCOKTSA-N 1 3 367.896 2.948 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(Cl)cc2F)C1 ZINC001085422067 999496268 /nfs/dbraw/zinc/49/62/68/999496268.db2.gz GQGHUJDNDBHBBH-ZTFGCOKTSA-N 1 3 367.896 2.948 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC001085433030 999519213 /nfs/dbraw/zinc/51/92/13/999519213.db2.gz INSMSIAHGSRBGL-NHCUHLMSSA-N 1 3 366.509 2.974 20 0 FFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085433030 999519217 /nfs/dbraw/zinc/51/92/17/999519217.db2.gz INSMSIAHGSRBGL-NHCUHLMSSA-N 1 3 366.509 2.974 20 0 FFADHO C[N@H+](CC(=O)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1)C1CCCC1 ZINC001273339070 999555505 /nfs/dbraw/zinc/55/55/05/999555505.db2.gz NFEUVWPNCCZMMH-OAQYLSRUSA-N 1 3 358.530 2.704 20 0 FFADHO C[N@@H+](CC(=O)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1)C1CCCC1 ZINC001273339070 999555506 /nfs/dbraw/zinc/55/55/06/999555506.db2.gz NFEUVWPNCCZMMH-OAQYLSRUSA-N 1 3 358.530 2.704 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCCc2cccc(F)c2)CC[N@@H+]1C ZINC001085605305 999593603 /nfs/dbraw/zinc/59/36/03/999593603.db2.gz GIAZIHCRWGXUMZ-NSISKUIASA-N 1 3 361.505 2.631 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCCc2cccc(F)c2)CC[N@H+]1C ZINC001085605305 999593609 /nfs/dbraw/zinc/59/36/09/999593609.db2.gz GIAZIHCRWGXUMZ-NSISKUIASA-N 1 3 361.505 2.631 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980382 1016356412 /nfs/dbraw/zinc/35/64/12/1016356412.db2.gz PXZGDTDKOBUDCK-SZPZYZBQSA-N 1 3 365.525 2.581 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980382 1016356421 /nfs/dbraw/zinc/35/64/21/1016356421.db2.gz PXZGDTDKOBUDCK-SZPZYZBQSA-N 1 3 365.525 2.581 20 0 FFADHO Cc1nn(-c2ccccc2)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980382 1016356430 /nfs/dbraw/zinc/35/64/30/1016356430.db2.gz PXZGDTDKOBUDCK-SZPZYZBQSA-N 1 3 365.525 2.581 20 0 FFADHO CCCOc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1OC ZINC000903980646 1016358041 /nfs/dbraw/zinc/35/80/41/1016358041.db2.gz WSGYTQOAHKUHHI-BGYRXZFFSA-N 1 3 373.541 2.885 20 0 FFADHO CCCOc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1OC ZINC000903980646 1016358051 /nfs/dbraw/zinc/35/80/51/1016358051.db2.gz WSGYTQOAHKUHHI-BGYRXZFFSA-N 1 3 373.541 2.885 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)NC(=O)C[C@@H]3c1ccccc1)C2 ZINC001169135061 1000024277 /nfs/dbraw/zinc/02/42/77/1000024277.db2.gz XSWMWIVFAIXNAJ-IYWMVGAKSA-N 1 3 353.510 2.750 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)NC(=O)C[C@@H]3c1ccccc1)C2 ZINC001169135061 1000024278 /nfs/dbraw/zinc/02/42/78/1000024278.db2.gz XSWMWIVFAIXNAJ-IYWMVGAKSA-N 1 3 353.510 2.750 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CO1 ZINC001169369332 1000042249 /nfs/dbraw/zinc/04/22/49/1000042249.db2.gz WBSVPPBCUVLCRX-QRQLOZEOSA-N 1 3 350.503 2.507 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CO1 ZINC001169369332 1000042250 /nfs/dbraw/zinc/04/22/50/1000042250.db2.gz WBSVPPBCUVLCRX-QRQLOZEOSA-N 1 3 350.503 2.507 20 0 FFADHO CCOC(=O)N1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001169664574 1000067135 /nfs/dbraw/zinc/06/71/35/1000067135.db2.gz PEZFEKMXKSFNCT-LJQANCHMSA-N 1 3 374.529 2.894 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC001144808218 1000298373 /nfs/dbraw/zinc/29/83/73/1000298373.db2.gz PCNSQMVEFBWZBX-NJDAHSKKSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC001144808218 1000298377 /nfs/dbraw/zinc/29/83/77/1000298377.db2.gz PCNSQMVEFBWZBX-NJDAHSKKSA-N 1 3 357.542 2.991 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001109361236 1000312006 /nfs/dbraw/zinc/31/20/06/1000312006.db2.gz PLYYVLDOTXJPPN-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001109361236 1000312009 /nfs/dbraw/zinc/31/20/09/1000312009.db2.gz PLYYVLDOTXJPPN-XWSJACJDSA-N 1 3 353.526 2.968 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399592 1000382937 /nfs/dbraw/zinc/38/29/37/1000382937.db2.gz OLISCMHTUPHBFD-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399592 1000382940 /nfs/dbraw/zinc/38/29/40/1000382940.db2.gz OLISCMHTUPHBFD-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO CSc1ccc(CN2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)s1 ZINC001276146910 1016409603 /nfs/dbraw/zinc/40/96/03/1016409603.db2.gz YCZXXDNDQFWZRI-GOSISDBHSA-N 1 3 367.584 2.989 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCOCC1 ZINC001109463965 1000510348 /nfs/dbraw/zinc/51/03/48/1000510348.db2.gz FUHDYBPNWNWQFT-QYZOEREBSA-N 1 3 365.562 2.645 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCOCC1 ZINC001109463965 1000510352 /nfs/dbraw/zinc/51/03/52/1000510352.db2.gz FUHDYBPNWNWQFT-QYZOEREBSA-N 1 3 365.562 2.645 20 0 FFADHO Cc1ccc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1 ZINC001109650197 1000779963 /nfs/dbraw/zinc/77/99/63/1000779963.db2.gz XWPHIVZXFNVGBH-AABGKKOBSA-N 1 3 355.526 2.601 20 0 FFADHO COc1ccc(Cl)c2c1C[C@H](N1CCN(CCCC[NH3+])CC1)CC2 ZINC001171304219 1000895185 /nfs/dbraw/zinc/89/51/85/1000895185.db2.gz BBWNKCRTYPPRAD-OAHLLOKOSA-N 1 3 351.922 2.562 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2ncccc2c1 ZINC001109928411 1001162926 /nfs/dbraw/zinc/16/29/26/1001162926.db2.gz VCXHIOJYHQKMPO-GIVPXCGWSA-N 1 3 366.509 2.798 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc2ncccc2c1 ZINC001109928411 1001162929 /nfs/dbraw/zinc/16/29/29/1001162929.db2.gz VCXHIOJYHQKMPO-GIVPXCGWSA-N 1 3 366.509 2.798 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1C ZINC001109932817 1001168462 /nfs/dbraw/zinc/16/84/62/1001168462.db2.gz UQXAHCOVRCCYSG-QYZOEREBSA-N 1 3 359.514 2.567 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1C ZINC001109932817 1001168464 /nfs/dbraw/zinc/16/84/64/1001168464.db2.gz UQXAHCOVRCCYSG-QYZOEREBSA-N 1 3 359.514 2.567 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCCCCC1 ZINC001109932725 1001168629 /nfs/dbraw/zinc/16/86/29/1001168629.db2.gz PORNQWSGDUDRBK-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCCCCC1 ZINC001109932725 1001168633 /nfs/dbraw/zinc/16/86/33/1001168633.db2.gz PORNQWSGDUDRBK-HOJAQTOUSA-N 1 3 365.562 2.789 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC001149010974 1001245089 /nfs/dbraw/zinc/24/50/89/1001245089.db2.gz ICDYKXUFXRCFSV-WIYYLYMNSA-N 1 3 372.557 2.677 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC001149010974 1001245096 /nfs/dbraw/zinc/24/50/96/1001245096.db2.gz ICDYKXUFXRCFSV-WIYYLYMNSA-N 1 3 372.557 2.677 20 0 FFADHO CO[C@@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1ccccc1 ZINC001110007429 1001294895 /nfs/dbraw/zinc/29/48/95/1001294895.db2.gz WIJRGYYNUZWBDQ-ANULTFPQSA-N 1 3 373.541 2.828 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](C)OC)C1 ZINC001112547254 1001451435 /nfs/dbraw/zinc/45/14/35/1001451435.db2.gz FLCNSCWNXUFAQU-ZJOUEHCJSA-N 1 3 367.578 2.752 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001182433461 1001864302 /nfs/dbraw/zinc/86/43/02/1001864302.db2.gz GXXHRESQHXXABZ-XLIONFOSSA-N 1 3 361.530 2.973 20 0 FFADHO Nc1cn(C(=O)[C@@H]2CCCN2CC2CC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001182552902 1001946926 /nfs/dbraw/zinc/94/69/26/1001946926.db2.gz JFTNFWVENLBGOH-SFHVURJKSA-N 1 3 354.429 2.870 20 0 FFADHO Cc1ccccc1C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010825 1002278467 /nfs/dbraw/zinc/27/84/67/1002278467.db2.gz MEQISDIACZWPRG-UZKOGDIHSA-N 1 3 355.526 2.760 20 0 FFADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010825 1002278481 /nfs/dbraw/zinc/27/84/81/1002278481.db2.gz MEQISDIACZWPRG-UZKOGDIHSA-N 1 3 355.526 2.760 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001086608892 1003169061 /nfs/dbraw/zinc/16/90/61/1003169061.db2.gz GAUIJAQGZKVOMQ-WAOWUJCRSA-N 1 3 361.505 2.803 20 0 FFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001086608892 1003169067 /nfs/dbraw/zinc/16/90/67/1003169067.db2.gz GAUIJAQGZKVOMQ-WAOWUJCRSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000775009621 1003287372 /nfs/dbraw/zinc/28/73/72/1003287372.db2.gz QKBMLAFUGWEWHR-XLIONFOSSA-N 1 3 355.482 2.768 20 0 FFADHO C[N@@H+]1CC[C@@]2(CCN(C(=S)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000793323831 1003338427 /nfs/dbraw/zinc/33/84/27/1003338427.db2.gz VZWCLHPVEADRDB-OAQYLSRUSA-N 1 3 372.582 2.553 20 0 FFADHO C[N@H+]1CC[C@@]2(CCN(C(=S)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000793323831 1003338437 /nfs/dbraw/zinc/33/84/37/1003338437.db2.gz VZWCLHPVEADRDB-OAQYLSRUSA-N 1 3 372.582 2.553 20 0 FFADHO CC(C)[C@H]1CN(C[C@@H](C)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001196134475 1003674726 /nfs/dbraw/zinc/67/47/26/1003674726.db2.gz SDIXDPXACHARPI-RBBKRZOGSA-N 1 3 359.558 2.797 20 0 FFADHO CC(C)[C@H]1CN(C[C@@H](C)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001196134475 1003674730 /nfs/dbraw/zinc/67/47/30/1003674730.db2.gz SDIXDPXACHARPI-RBBKRZOGSA-N 1 3 359.558 2.797 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCCC[C@H](C)C3)cc2)CC1 ZINC000775729759 1003847066 /nfs/dbraw/zinc/84/70/66/1003847066.db2.gz RDJSTWYJZYVVAI-SFHVURJKSA-N 1 3 358.530 2.889 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCCC[C@H](C)C3)cc2)CC1 ZINC000775729759 1003847082 /nfs/dbraw/zinc/84/70/82/1003847082.db2.gz RDJSTWYJZYVVAI-SFHVURJKSA-N 1 3 358.530 2.889 20 0 FFADHO [NH3+]C1CCN(CCc2cn(-c3ncnc4[nH]ccc43)c3ccccc23)CC1 ZINC001170526347 1004608193 /nfs/dbraw/zinc/60/81/93/1004608193.db2.gz STOQYXKOZYQGAX-UHFFFAOYSA-N 1 3 360.465 2.867 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCCC(C)C ZINC001198740903 1004719131 /nfs/dbraw/zinc/71/91/31/1004719131.db2.gz IDQZTMBPDLNVQG-ZHALLVOQSA-N 1 3 361.530 2.828 20 0 FFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCCC(C)C ZINC001198740903 1004719138 /nfs/dbraw/zinc/71/91/38/1004719138.db2.gz IDQZTMBPDLNVQG-ZHALLVOQSA-N 1 3 361.530 2.828 20 0 FFADHO CCN(CC)CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC001273854552 1005126182 /nfs/dbraw/zinc/12/61/82/1005126182.db2.gz CZVCNJDRIJLYLJ-IBGZPJMESA-N 1 3 364.559 2.608 20 0 FFADHO CCN(CC)CC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001273854552 1005126187 /nfs/dbraw/zinc/12/61/87/1005126187.db2.gz CZVCNJDRIJLYLJ-IBGZPJMESA-N 1 3 364.559 2.608 20 0 FFADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001488962797 1005387560 /nfs/dbraw/zinc/38/75/60/1005387560.db2.gz WUAAUSHWZURBJX-GHTZIAJQSA-N 1 3 357.542 2.892 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC001488968710 1005388929 /nfs/dbraw/zinc/38/89/29/1005388929.db2.gz ZSUIVEOADUVEPG-FXAWDEMLSA-N 1 3 368.525 2.950 20 0 FFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095684639 1016988718 /nfs/dbraw/zinc/98/87/18/1016988718.db2.gz PIUCVTMQBLRHLY-AABGKKOBSA-N 1 3 353.510 2.845 20 0 FFADHO COc1cncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000850035131 1005780110 /nfs/dbraw/zinc/78/01/10/1005780110.db2.gz VPFGWWLGWSXTDF-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433965 1005815368 /nfs/dbraw/zinc/81/53/68/1005815368.db2.gz SCNLAVGZVNKBCB-WMLDXEAASA-N 1 3 369.431 2.954 20 0 FFADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433965 1005815370 /nfs/dbraw/zinc/81/53/70/1005815370.db2.gz SCNLAVGZVNKBCB-WMLDXEAASA-N 1 3 369.431 2.954 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc4c3CNC4)cc2)CC1 ZINC000852790813 1006184938 /nfs/dbraw/zinc/18/49/38/1006184938.db2.gz UTJUAIWMTHKSER-UHFFFAOYSA-N 1 3 350.466 2.684 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc4c3CNC4)cc2)CC1 ZINC000852790813 1006184945 /nfs/dbraw/zinc/18/49/45/1006184945.db2.gz UTJUAIWMTHKSER-UHFFFAOYSA-N 1 3 350.466 2.684 20 0 FFADHO c1cc(C[NH+]2CCCC2)cc(-c2noc([C@@H]3CN4CCC[C@@H]4CO3)n2)c1 ZINC000923869120 1017058972 /nfs/dbraw/zinc/05/89/72/1017058972.db2.gz YBDCOXDIBASPDI-MSOLQXFVSA-N 1 3 354.454 2.868 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2)CC1 ZINC000854314460 1006774897 /nfs/dbraw/zinc/77/48/97/1006774897.db2.gz MYQXEZLLBXMCMX-SFHVURJKSA-N 1 3 373.545 2.823 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC000854314460 1006774913 /nfs/dbraw/zinc/77/49/13/1006774913.db2.gz MYQXEZLLBXMCMX-SFHVURJKSA-N 1 3 373.545 2.823 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C2)nn1 ZINC000883432435 1006790393 /nfs/dbraw/zinc/79/03/93/1006790393.db2.gz RGDVURPCEVNQSA-HSALFYBXSA-N 1 3 355.486 2.684 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)C2)nn1 ZINC000883432435 1006790404 /nfs/dbraw/zinc/79/04/04/1006790404.db2.gz RGDVURPCEVNQSA-HSALFYBXSA-N 1 3 355.486 2.684 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@H+](CCCCCF)C[C@H]32)C1 ZINC001189134957 1006921163 /nfs/dbraw/zinc/92/11/63/1006921163.db2.gz IESXYDWQGSDUGS-QKLQHJQFSA-N 1 3 371.516 2.871 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]3C[N@@H+](CCCCCF)C[C@H]32)C1 ZINC001189134957 1006921174 /nfs/dbraw/zinc/92/11/74/1006921174.db2.gz IESXYDWQGSDUGS-QKLQHJQFSA-N 1 3 371.516 2.871 20 0 FFADHO CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001189134678 1006922174 /nfs/dbraw/zinc/92/21/74/1006922174.db2.gz CJDDFRKDPWFJMA-SQGPQFPESA-N 1 3 353.526 2.922 20 0 FFADHO CCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001189134678 1006922186 /nfs/dbraw/zinc/92/21/86/1006922186.db2.gz CJDDFRKDPWFJMA-SQGPQFPESA-N 1 3 353.526 2.922 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001086740304 1007033443 /nfs/dbraw/zinc/03/34/43/1007033443.db2.gz RRHYYOXUNWYWNL-GVDBMIGSSA-N 1 3 364.559 2.638 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001086740304 1007033462 /nfs/dbraw/zinc/03/34/62/1007033462.db2.gz RRHYYOXUNWYWNL-GVDBMIGSSA-N 1 3 364.559 2.638 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cncc2ccccc21 ZINC000855346429 1007295430 /nfs/dbraw/zinc/29/54/30/1007295430.db2.gz BLKQMBLZFRQPLO-KRWDZBQOSA-N 1 3 356.514 2.556 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cncc2ccccc21 ZINC000855346429 1007295443 /nfs/dbraw/zinc/29/54/43/1007295443.db2.gz BLKQMBLZFRQPLO-KRWDZBQOSA-N 1 3 356.514 2.556 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 ZINC000885866154 1007810263 /nfs/dbraw/zinc/81/02/63/1007810263.db2.gz SWWCKLREJZTIGC-NRFANRHFSA-N 1 3 373.541 2.902 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 ZINC000885866154 1007810273 /nfs/dbraw/zinc/81/02/73/1007810273.db2.gz SWWCKLREJZTIGC-NRFANRHFSA-N 1 3 373.541 2.902 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCCc3cn(C(C)C)nc32)CC[NH2+]CC1 ZINC000817925468 1007812623 /nfs/dbraw/zinc/81/26/23/1007812623.db2.gz WZHXCZHIOLCYDE-NVXWUHKLSA-N 1 3 362.518 2.752 20 0 FFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCNC[C@@H]1C ZINC000817970132 1007835803 /nfs/dbraw/zinc/83/58/03/1007835803.db2.gz MGQQWTOTGHHIQJ-FCEWJHQRSA-N 1 3 357.498 2.819 20 0 FFADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H](O)c3ccccn3)C2)ccn1 ZINC000856606551 1007914612 /nfs/dbraw/zinc/91/46/12/1007914612.db2.gz KOPGCVCOXQILOB-TZIWHRDSSA-N 1 3 370.497 2.504 20 0 FFADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H](O)c3ccccn3)C2)ccn1 ZINC000856606551 1007914617 /nfs/dbraw/zinc/91/46/17/1007914617.db2.gz KOPGCVCOXQILOB-TZIWHRDSSA-N 1 3 370.497 2.504 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCc3cncn3C)C2)ccn1 ZINC000856607198 1007914802 /nfs/dbraw/zinc/91/48/02/1007914802.db2.gz XYUVXTUVDFTKOP-OAQYLSRUSA-N 1 3 371.529 2.741 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCc3cncn3C)C2)ccn1 ZINC000856607198 1007914808 /nfs/dbraw/zinc/91/48/08/1007914808.db2.gz XYUVXTUVDFTKOP-OAQYLSRUSA-N 1 3 371.529 2.741 20 0 FFADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccc(F)c1 ZINC000819122392 1008049002 /nfs/dbraw/zinc/04/90/02/1008049002.db2.gz VVOXHYLQVVGFOM-OAQYLSRUSA-N 1 3 358.457 2.606 20 0 FFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1ccccc1 ZINC000819370931 1008124833 /nfs/dbraw/zinc/12/48/33/1008124833.db2.gz FODIURIPZDVSAC-YPAWHYETSA-N 1 3 354.494 2.847 20 0 FFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1ccccc1 ZINC000819370931 1008124844 /nfs/dbraw/zinc/12/48/44/1008124844.db2.gz FODIURIPZDVSAC-YPAWHYETSA-N 1 3 354.494 2.847 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001206596536 1032358370 /nfs/dbraw/zinc/35/83/70/1032358370.db2.gz NSZBVXCGROZBND-BHDDXSALSA-N 1 3 357.542 2.551 20 0 FFADHO CN1CCN(CCCO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001206596536 1032358376 /nfs/dbraw/zinc/35/83/76/1032358376.db2.gz NSZBVXCGROZBND-BHDDXSALSA-N 1 3 357.542 2.551 20 0 FFADHO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001178860646 1009173244 /nfs/dbraw/zinc/17/32/44/1009173244.db2.gz HHIPRNCTCILTNR-IEBWSBKVSA-N 1 3 361.505 2.884 20 0 FFADHO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001178860646 1009173256 /nfs/dbraw/zinc/17/32/56/1009173256.db2.gz HHIPRNCTCILTNR-IEBWSBKVSA-N 1 3 361.505 2.884 20 0 FFADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc4nsnc43)cc2)C1 ZINC001179123960 1009265971 /nfs/dbraw/zinc/26/59/71/1009265971.db2.gz ZMZDPJPMSMQEGJ-QGZVFWFLSA-N 1 3 354.479 2.548 20 0 FFADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4nsnc43)cc2)C1 ZINC001179123960 1009265975 /nfs/dbraw/zinc/26/59/75/1009265975.db2.gz ZMZDPJPMSMQEGJ-QGZVFWFLSA-N 1 3 354.479 2.548 20 0 FFADHO CC[NH+](CC)CCn1cc(Nc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC001203260177 1009534665 /nfs/dbraw/zinc/53/46/65/1009534665.db2.gz OMFCXWHSZDWQST-UHFFFAOYSA-N 1 3 370.545 2.716 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1C ZINC001093024624 1009637515 /nfs/dbraw/zinc/63/75/15/1009637515.db2.gz BEEXJLHUQINLTK-GGPKGHCWSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C ZINC001093024624 1009637523 /nfs/dbraw/zinc/63/75/23/1009637523.db2.gz BEEXJLHUQINLTK-GGPKGHCWSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1C ZINC001093024626 1009637636 /nfs/dbraw/zinc/63/76/36/1009637636.db2.gz BEEXJLHUQINLTK-QWFCFKBJSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C ZINC001093024626 1009637639 /nfs/dbraw/zinc/63/76/39/1009637639.db2.gz BEEXJLHUQINLTK-QWFCFKBJSA-N 1 3 358.530 2.529 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000152197889 1009765968 /nfs/dbraw/zinc/76/59/68/1009765968.db2.gz ZLCIUUAZCIWYEW-OAQYLSRUSA-N 1 3 366.509 2.647 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000152197815 1009767062 /nfs/dbraw/zinc/76/70/62/1009767062.db2.gz ZLCIUUAZCIWYEW-NRFANRHFSA-N 1 3 366.509 2.647 20 0 FFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001093120547 1009919872 /nfs/dbraw/zinc/91/98/72/1009919872.db2.gz KZLZHKQCKIUJQQ-MBBJPEGDSA-N 1 3 353.938 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C ZINC001093226166 1010169858 /nfs/dbraw/zinc/16/98/58/1010169858.db2.gz WTQKESPOGHMCHD-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C ZINC001093226166 1010169863 /nfs/dbraw/zinc/16/98/63/1010169863.db2.gz WTQKESPOGHMCHD-YVWKXTFCSA-N 1 3 361.505 2.884 20 0 FFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000863544962 1010249971 /nfs/dbraw/zinc/24/99/71/1010249971.db2.gz FZEUHJFMEJAOBV-IXDOHACOSA-N 1 3 357.498 2.962 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1c(F)cccc1Cl ZINC001093672799 1010456379 /nfs/dbraw/zinc/45/63/79/1010456379.db2.gz DLAKVAZCMLGFDM-LBTNJELSSA-N 1 3 367.896 2.757 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001093822177 1010593417 /nfs/dbraw/zinc/59/34/17/1010593417.db2.gz MBEOKYZPYVEUNC-ZACQAIPSSA-N 1 3 364.559 2.590 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001093822177 1010593429 /nfs/dbraw/zinc/59/34/29/1010593429.db2.gz MBEOKYZPYVEUNC-ZACQAIPSSA-N 1 3 364.559 2.590 20 0 FFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093824165 1010595899 /nfs/dbraw/zinc/59/58/99/1010595899.db2.gz JBOGIMVZWRVSPF-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001094040169 1010802626 /nfs/dbraw/zinc/80/26/26/1010802626.db2.gz DEXOPOPRELWSCU-FUHIMQAGSA-N 1 3 361.505 2.825 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCC(F)(F)CC3)[C@H](C)C2)C1 ZINC001094042612 1010804965 /nfs/dbraw/zinc/80/49/65/1010804965.db2.gz XZLYJAFDWQIEOW-JFIYKMOQSA-N 1 3 371.516 2.838 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]Cc3ccc(Cl)cc3)[C@H](C)C2)C1 ZINC001094042243 1010805148 /nfs/dbraw/zinc/80/51/48/1010805148.db2.gz PIVAFBVBBXZVEX-JFIYKMOQSA-N 1 3 363.933 2.866 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110153881 1010877369 /nfs/dbraw/zinc/87/73/69/1010877369.db2.gz QGAPJVZHAYTVTD-GIVPXCGWSA-N 1 3 373.541 2.900 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110153881 1010877375 /nfs/dbraw/zinc/87/73/75/1010877375.db2.gz QGAPJVZHAYTVTD-GIVPXCGWSA-N 1 3 373.541 2.900 20 0 FFADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110153874 1010877506 /nfs/dbraw/zinc/87/75/06/1010877506.db2.gz PWYRXUJZZWOUBN-HOJAQTOUSA-N 1 3 359.514 2.510 20 0 FFADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001110153874 1010877508 /nfs/dbraw/zinc/87/75/08/1010877508.db2.gz PWYRXUJZZWOUBN-HOJAQTOUSA-N 1 3 359.514 2.510 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)cs2)[C@H](C)C1 ZINC001094241599 1010985130 /nfs/dbraw/zinc/98/51/30/1010985130.db2.gz SCCZVLGWXUPUDF-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000866415221 1010990237 /nfs/dbraw/zinc/99/02/37/1010990237.db2.gz XXWZWASXCRCIFR-BURNTYAHSA-N 1 3 357.542 2.617 20 0 FFADHO C[C@@H]([NH2+]Cc1ccnc(-n2cncn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000866435886 1010995570 /nfs/dbraw/zinc/99/55/70/1010995570.db2.gz ODRIWOBONJKNOY-YLJYHZDGSA-N 1 3 362.481 2.663 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ccccn2)CC3)CC[N@@H+]1C ZINC001094417912 1011102531 /nfs/dbraw/zinc/10/25/31/1011102531.db2.gz CVLWGIMQDBCSFT-GPQLQYNLSA-N 1 3 370.541 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2ccccn2)CC3)CC[N@H+]1C ZINC001094417912 1011102535 /nfs/dbraw/zinc/10/25/35/1011102535.db2.gz CVLWGIMQDBCSFT-GPQLQYNLSA-N 1 3 370.541 2.673 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000868096675 1011166279 /nfs/dbraw/zinc/16/62/79/1011166279.db2.gz SQJGHGQVMZAWRS-QGZVFWFLSA-N 1 3 359.518 2.564 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000868131146 1011177638 /nfs/dbraw/zinc/17/76/38/1011177638.db2.gz ZALMLICLHYJTQB-GTAWCEEGSA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000868131146 1011177642 /nfs/dbraw/zinc/17/76/42/1011177642.db2.gz ZALMLICLHYJTQB-GTAWCEEGSA-N 1 3 356.514 2.558 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1 ZINC000868179095 1011190723 /nfs/dbraw/zinc/19/07/23/1011190723.db2.gz FUZUSKJBFAUDAS-XUVXKRRUSA-N 1 3 368.481 2.934 20 0 FFADHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)C3CCOCC3)CC2)CC1(C)C ZINC001171637424 1011421685 /nfs/dbraw/zinc/42/16/85/1011421685.db2.gz MXGMVKLGBGIUJX-UHFFFAOYSA-N 1 3 365.562 2.645 20 0 FFADHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)C3CCOCC3)CC2)CC1(C)C ZINC001171637424 1011421691 /nfs/dbraw/zinc/42/16/91/1011421691.db2.gz MXGMVKLGBGIUJX-UHFFFAOYSA-N 1 3 365.562 2.645 20 0 FFADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115503 1011649390 /nfs/dbraw/zinc/64/93/90/1011649390.db2.gz XWKJCRVTDQELJI-BIRZXAFVSA-N 1 3 357.542 2.881 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000646074495 1011726684 /nfs/dbraw/zinc/72/66/84/1011726684.db2.gz ZNAWKELZONZIJT-PKTZIBPZSA-N 1 3 373.585 2.861 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000646074495 1011726696 /nfs/dbraw/zinc/72/66/96/1011726696.db2.gz ZNAWKELZONZIJT-PKTZIBPZSA-N 1 3 373.585 2.861 20 0 FFADHO CN(Cc1ccccc1-c1ccnn1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000646196917 1011795642 /nfs/dbraw/zinc/79/56/42/1011795642.db2.gz CVZMWDYOIPXLJT-HXUWFJFHSA-N 1 3 367.541 2.687 20 0 FFADHO CN(Cc1ccccc1-c1ccnn1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000646196917 1011795655 /nfs/dbraw/zinc/79/56/55/1011795655.db2.gz CVZMWDYOIPXLJT-HXUWFJFHSA-N 1 3 367.541 2.687 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001172591690 1011874170 /nfs/dbraw/zinc/87/41/70/1011874170.db2.gz CYHFLLDMCOIFPF-LEWJYISDSA-N 1 3 373.541 2.646 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001172591691 1011874376 /nfs/dbraw/zinc/87/43/76/1011874376.db2.gz CYHFLLDMCOIFPF-NHCUHLMSSA-N 1 3 373.541 2.646 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001172591693 1011874941 /nfs/dbraw/zinc/87/49/41/1011874941.db2.gz CYHFLLDMCOIFPF-SFTDATJTSA-N 1 3 373.541 2.646 20 0 FFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC([NH3+])(Cc3cccc(OC)c3)CC2)C1 ZINC001172609308 1011882416 /nfs/dbraw/zinc/88/24/16/1011882416.db2.gz PIKNWMAQQIPKHV-QZTJIDSGSA-N 1 3 360.498 2.763 20 0 FFADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001172781712 1012012877 /nfs/dbraw/zinc/01/28/77/1012012877.db2.gz YDOFJBWIZCPGCH-ROUUACIJSA-N 1 3 352.519 2.589 20 0 FFADHO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001275222993 1012099219 /nfs/dbraw/zinc/09/92/19/1012099219.db2.gz UMHRQFOBLDTUMM-YCXXCVGLSA-N 1 3 364.559 2.649 20 0 FFADHO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001275222838 1012099664 /nfs/dbraw/zinc/09/96/64/1012099664.db2.gz OBSGVVHJGZQHKF-YSTOQKLRSA-N 1 3 367.578 2.701 20 0 FFADHO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001275222838 1012099685 /nfs/dbraw/zinc/09/96/85/1012099685.db2.gz OBSGVVHJGZQHKF-YSTOQKLRSA-N 1 3 367.578 2.701 20 0 FFADHO CC[NH+](CC)C1CCC(N2CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173114725 1012261097 /nfs/dbraw/zinc/26/10/97/1012261097.db2.gz RNOADHFVAXFCPB-OPQOLIRYSA-N 1 3 369.550 2.599 20 0 FFADHO CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009836 1032648054 /nfs/dbraw/zinc/64/80/54/1032648054.db2.gz NSFTVUCDOZHUSJ-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO CC[N@@H+](C)[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001222009836 1032648058 /nfs/dbraw/zinc/64/80/58/1032648058.db2.gz NSFTVUCDOZHUSJ-PMACEKPBSA-N 1 3 358.530 2.949 20 0 FFADHO [NH3+]C1(c2ccc(Cl)cc2)CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173747277 1012938822 /nfs/dbraw/zinc/93/88/22/1012938822.db2.gz ROOHHTFYVNHVRY-DLBZAZTESA-N 1 3 360.893 2.760 20 0 FFADHO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN(Cc3ccccc3F)C1)CC2 ZINC001275777527 1012993844 /nfs/dbraw/zinc/99/38/44/1012993844.db2.gz RPPSBBYLKAKMQN-SFHVURJKSA-N 1 3 359.489 2.592 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](CC3(c4ccccc4)CC3)CC2)C1=O ZINC001275799050 1013016319 /nfs/dbraw/zinc/01/63/19/1013016319.db2.gz HVXFKOUJSIUJMT-UHFFFAOYSA-N 1 3 355.526 2.594 20 0 FFADHO Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001097343864 1017375924 /nfs/dbraw/zinc/37/59/24/1017375924.db2.gz ZUZZTBOEKGGEKV-ZRNYENFQSA-N 1 3 359.489 2.840 20 0 FFADHO Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001097343864 1017375933 /nfs/dbraw/zinc/37/59/33/1017375933.db2.gz ZUZZTBOEKGGEKV-ZRNYENFQSA-N 1 3 359.489 2.840 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCC(F)(F)C1)C12CCC[NH+]1CCC2 ZINC001097430012 1017480230 /nfs/dbraw/zinc/48/02/30/1017480230.db2.gz DJFAQJXBAOLTKY-HZMVEIRTSA-N 1 3 367.484 2.772 20 0 FFADHO O=C1Nc2ccccc2C12CCC(N[C@@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925795779 1017850770 /nfs/dbraw/zinc/85/07/70/1017850770.db2.gz PVYCYJYNHSJEFK-JQHMZKTJSA-N 1 3 369.509 2.567 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000926177575 1018007091 /nfs/dbraw/zinc/00/70/91/1018007091.db2.gz GSWDPDURTJQDRI-OBXNSHGQSA-N 1 3 372.513 2.876 20 0 FFADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC1 ZINC000926401482 1018104597 /nfs/dbraw/zinc/10/45/97/1018104597.db2.gz GACYBVTTZNOWLA-GHTZIAJQSA-N 1 3 361.578 2.903 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@H]4CCC5(COC5)O4)CC[C@@H]32)cc1 ZINC000929849361 1019690910 /nfs/dbraw/zinc/69/09/10/1019690910.db2.gz XLVOPBKRSVUNIX-NJYVYQBISA-N 1 3 356.510 2.921 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@H]4CCC5(COC5)O4)CC[C@@H]32)cc1 ZINC000929849361 1019690916 /nfs/dbraw/zinc/69/09/16/1019690916.db2.gz XLVOPBKRSVUNIX-NJYVYQBISA-N 1 3 356.510 2.921 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[NH2+]CC(C)(C)C3)C2)cc(OC)c1 ZINC000902336109 1020110076 /nfs/dbraw/zinc/11/00/76/1020110076.db2.gz DTAKCDCDCDQFEM-MSOLQXFVSA-N 1 3 361.530 2.646 20 0 FFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC000903118637 1020687054 /nfs/dbraw/zinc/68/70/54/1020687054.db2.gz GHEHJGSLUIGIMX-FQEVSTJZSA-N 1 3 371.525 2.704 20 0 FFADHO COc1ccc(C[C@@](C)(O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000903171965 1020722467 /nfs/dbraw/zinc/72/24/67/1020722467.db2.gz KZMYGUWHPGZVFB-SQWHNCPASA-N 1 3 374.525 2.745 20 0 FFADHO COc1ccc(C[C@@](C)(O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903171965 1020722482 /nfs/dbraw/zinc/72/24/82/1020722482.db2.gz KZMYGUWHPGZVFB-SQWHNCPASA-N 1 3 374.525 2.745 20 0 FFADHO CN(C)Cc1ccc(NC(=O)C2CCC([NH+]3CCOCC3)CC2)cc1F ZINC000900952820 1020748116 /nfs/dbraw/zinc/74/81/16/1020748116.db2.gz TTZSKMYKGKCZTP-UHFFFAOYSA-N 1 3 363.477 2.717 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCOC1 ZINC001098463717 1020931702 /nfs/dbraw/zinc/93/17/02/1020931702.db2.gz CIPBDAFSRXKIBN-QAKNJHSXSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCOC1 ZINC001098463717 1020931704 /nfs/dbraw/zinc/93/17/04/1020931704.db2.gz CIPBDAFSRXKIBN-QAKNJHSXSA-N 1 3 371.525 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCCc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001014506882 1021882680 /nfs/dbraw/zinc/88/26/80/1021882680.db2.gz HTQCEGIKDIRTFP-SLFFLAALSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCCc3cccc(F)c3)C2)CC[N@H+]1C ZINC001014506882 1021882694 /nfs/dbraw/zinc/88/26/94/1021882694.db2.gz HTQCEGIKDIRTFP-SLFFLAALSA-N 1 3 361.505 2.679 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(Cc2cnccc2C)CC3)CC[N@@H+]1C ZINC001016631650 1022060587 /nfs/dbraw/zinc/06/05/87/1022060587.db2.gz XZLQSDSWKBDFRR-ZCNNSNEGSA-N 1 3 370.541 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CCN(Cc2cnccc2C)CC3)CC[N@H+]1C ZINC001016631650 1022060604 /nfs/dbraw/zinc/06/06/04/1022060604.db2.gz XZLQSDSWKBDFRR-ZCNNSNEGSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1c(C[N@@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)cccc1-c1ccccc1 ZINC001222526438 1033031713 /nfs/dbraw/zinc/03/17/13/1033031713.db2.gz AGPDJVWOENUOJF-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1c(C[N@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)cccc1-c1ccccc1 ZINC001222526438 1033031719 /nfs/dbraw/zinc/03/17/19/1033031719.db2.gz AGPDJVWOENUOJF-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1c(CN2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)cccc1-c1ccccc1 ZINC001222526438 1033031730 /nfs/dbraw/zinc/03/17/30/1033031730.db2.gz AGPDJVWOENUOJF-QHCPKHFHSA-N 1 3 361.489 2.574 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCCCc3ccccc3)C2)C1=O ZINC001276371588 1022382916 /nfs/dbraw/zinc/38/29/16/1022382916.db2.gz VKSIRRXJISIHIB-QFIPXVFZSA-N 1 3 357.542 2.885 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCCCc3ccccc3)C2)C1=O ZINC001276371588 1022382932 /nfs/dbraw/zinc/38/29/32/1022382932.db2.gz VKSIRRXJISIHIB-QFIPXVFZSA-N 1 3 357.542 2.885 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccnc2)C1 ZINC001099443929 1022537616 /nfs/dbraw/zinc/53/76/16/1022537616.db2.gz KAHFQDRGFQJHOJ-ONTIZHBOSA-N 1 3 370.541 2.674 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001099496908 1022631361 /nfs/dbraw/zinc/63/13/61/1022631361.db2.gz MTRUYBFQFQKZIO-CUWPLCDZSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1ccncc1CN1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948385028 1023244532 /nfs/dbraw/zinc/24/45/32/1023244532.db2.gz HKULQQNQQSKKDR-YZGWKJHDSA-N 1 3 358.530 2.543 20 0 FFADHO Cc1ccncc1CN1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385028 1023244543 /nfs/dbraw/zinc/24/45/43/1023244543.db2.gz HKULQQNQQSKKDR-YZGWKJHDSA-N 1 3 358.530 2.543 20 0 FFADHO CCN1CCN(CCC[NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC001120561711 1023362447 /nfs/dbraw/zinc/36/24/47/1023362447.db2.gz SIXAQIMCXIIMNV-UHFFFAOYSA-N 1 3 359.558 2.693 20 0 FFADHO C[C@@](O)(CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001120590224 1023373416 /nfs/dbraw/zinc/37/34/16/1023373416.db2.gz JZMFFSUSUMJVPP-FGZHOGPDSA-N 1 3 354.494 2.511 20 0 FFADHO C[C@@](O)(CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001120590224 1023373424 /nfs/dbraw/zinc/37/34/24/1023373424.db2.gz JZMFFSUSUMJVPP-FGZHOGPDSA-N 1 3 354.494 2.511 20 0 FFADHO O[C@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)COCc1ccccc1Cl ZINC001120591431 1023374715 /nfs/dbraw/zinc/37/47/15/1023374715.db2.gz WTMDWPPHXWVUEF-IEBWSBKVSA-N 1 3 366.933 2.929 20 0 FFADHO O[C@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)COCc1ccccc1Cl ZINC001120591431 1023374724 /nfs/dbraw/zinc/37/47/24/1023374724.db2.gz WTMDWPPHXWVUEF-IEBWSBKVSA-N 1 3 366.933 2.929 20 0 FFADHO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)c(CN(C)C)c1 ZINC001121924313 1024174386 /nfs/dbraw/zinc/17/43/86/1024174386.db2.gz ZYQTYBYTLIEVLH-KRWDZBQOSA-N 1 3 366.465 2.521 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC001121945687 1024192727 /nfs/dbraw/zinc/19/27/27/1024192727.db2.gz JYRFYPFVZDSAJR-UHFFFAOYSA-N 1 3 362.518 2.726 20 0 FFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464469 1024805797 /nfs/dbraw/zinc/80/57/97/1024805797.db2.gz JXWHSBRAALRNLL-HBFSDRIKSA-N 1 3 353.526 2.781 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1C ZINC001102051760 1025364026 /nfs/dbraw/zinc/36/40/26/1025364026.db2.gz LMJPJNMFNPYSCB-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1C ZINC001102051760 1025364037 /nfs/dbraw/zinc/36/40/37/1025364037.db2.gz LMJPJNMFNPYSCB-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO CC(C)CCOCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102213557 1025595445 /nfs/dbraw/zinc/59/54/45/1025595445.db2.gz KQOYXIVUDBDSOE-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)CCOCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102213557 1025595461 /nfs/dbraw/zinc/59/54/61/1025595461.db2.gz KQOYXIVUDBDSOE-RTBURBONSA-N 1 3 367.578 2.608 20 0 FFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccccc2CC(F)(F)F)CC1 ZINC000637982248 1025652755 /nfs/dbraw/zinc/65/27/55/1025652755.db2.gz SYHVBARUVQVBSL-UHFFFAOYSA-N 1 3 371.447 2.681 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](N3CCN(C)CC3)[C@H](C)C1)CC2 ZINC000638138189 1025719650 /nfs/dbraw/zinc/71/96/50/1025719650.db2.gz XJTMXNYHWHPFKX-LSTHTHJFSA-N 1 3 373.541 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](N3CCN(C)CC3)[C@H](C)C1)CC2 ZINC000638138189 1025719664 /nfs/dbraw/zinc/71/96/64/1025719664.db2.gz XJTMXNYHWHPFKX-LSTHTHJFSA-N 1 3 373.541 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N1CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C1)CC2 ZINC000638138189 1025719680 /nfs/dbraw/zinc/71/96/80/1025719680.db2.gz XJTMXNYHWHPFKX-LSTHTHJFSA-N 1 3 373.541 2.649 20 0 FFADHO Cc1nsc(C)c1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330456 1025761647 /nfs/dbraw/zinc/76/16/47/1025761647.db2.gz WOHWRHJJXDNAPW-MZMPZRCHSA-N 1 3 366.575 2.530 20 0 FFADHO Cc1nsc(C)c1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102330456 1025761663 /nfs/dbraw/zinc/76/16/63/1025761663.db2.gz WOHWRHJJXDNAPW-MZMPZRCHSA-N 1 3 366.575 2.530 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638374607 1025811447 /nfs/dbraw/zinc/81/14/47/1025811447.db2.gz QQRHRMDWXIQDIJ-UHFFFAOYSA-N 1 3 353.514 2.514 20 0 FFADHO [NH3+]Cc1cccc2c1N(C(=O)[C@@H]1CCCN(Cc3cccnc3)C1)CCC2 ZINC000638544854 1025883469 /nfs/dbraw/zinc/88/34/69/1025883469.db2.gz MIHPDBWRYZUEHD-HXUWFJFHSA-N 1 3 364.493 2.732 20 0 FFADHO C[C@H]1C[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)CCN1Cc1ccccc1 ZINC000638722322 1025950867 /nfs/dbraw/zinc/95/08/67/1025950867.db2.gz QUWFOPHGOOXCQU-GHTZIAJQSA-N 1 3 359.558 2.864 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)CCN1Cc1ccccc1 ZINC000638722324 1025950995 /nfs/dbraw/zinc/95/09/95/1025950995.db2.gz QUWFOPHGOOXCQU-RXVVDRJESA-N 1 3 359.558 2.864 20 0 FFADHO CCCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428934 1025959677 /nfs/dbraw/zinc/95/96/77/1025959677.db2.gz ZVVQLEVMPYDPDB-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001102428934 1025959686 /nfs/dbraw/zinc/95/96/86/1025959686.db2.gz ZVVQLEVMPYDPDB-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C)C(C)C ZINC001102472247 1026038028 /nfs/dbraw/zinc/03/80/28/1026038028.db2.gz QQLAHTJYXFJSPT-JFIYKMOQSA-N 1 3 366.575 2.694 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1C ZINC001102472273 1026038603 /nfs/dbraw/zinc/03/86/03/1026038603.db2.gz SELXVYSSSIIGCH-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C ZINC001102472273 1026038621 /nfs/dbraw/zinc/03/86/21/1026038621.db2.gz SELXVYSSSIIGCH-AQNXPRMDSA-N 1 3 367.578 2.752 20 0 FFADHO CN1CC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000638833360 1026039357 /nfs/dbraw/zinc/03/93/57/1026039357.db2.gz VVKBUPZKCPHQGH-OALUTQOASA-N 1 3 367.484 2.535 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102475261 1026050949 /nfs/dbraw/zinc/05/09/49/1026050949.db2.gz GMNNTRRTGSEMTI-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1C ZINC001102475261 1026050960 /nfs/dbraw/zinc/05/09/60/1026050960.db2.gz GMNNTRRTGSEMTI-BRWVUGGUSA-N 1 3 359.505 2.838 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639057841 1026148626 /nfs/dbraw/zinc/14/86/26/1026148626.db2.gz VUYGUJWPTGCGOE-KJXAQDMKSA-N 1 3 370.585 2.970 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccccc2CC)C[C@H]1C ZINC001102524900 1026217083 /nfs/dbraw/zinc/21/70/83/1026217083.db2.gz CIALWPOVMGNFLU-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2CC)C[C@H]1C ZINC001102524900 1026217094 /nfs/dbraw/zinc/21/70/94/1026217094.db2.gz CIALWPOVMGNFLU-WIYYLYMNSA-N 1 3 359.558 2.817 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@H]1C ZINC001102532061 1026242697 /nfs/dbraw/zinc/24/26/97/1026242697.db2.gz SDDZAZAHCUKFCY-ZTQAJYAQSA-N 1 3 352.482 2.632 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@H]1C ZINC001102532061 1026242705 /nfs/dbraw/zinc/24/27/05/1026242705.db2.gz SDDZAZAHCUKFCY-ZTQAJYAQSA-N 1 3 352.482 2.632 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001102531743 1026243066 /nfs/dbraw/zinc/24/30/66/1026243066.db2.gz CUVIMBJBUFRIKU-VQIMIIECSA-N 1 3 354.498 2.762 20 0 FFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001102531743 1026243080 /nfs/dbraw/zinc/24/30/80/1026243080.db2.gz CUVIMBJBUFRIKU-VQIMIIECSA-N 1 3 354.498 2.762 20 0 FFADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000639341857 1026284533 /nfs/dbraw/zinc/28/45/33/1026284533.db2.gz SPGGVNAMHQUABA-OAQYLSRUSA-N 1 3 355.482 2.813 20 0 FFADHO Nc1nnc([C@H]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)o1 ZINC000639822829 1026487587 /nfs/dbraw/zinc/48/75/87/1026487587.db2.gz UAGQQSPEEOOVMU-SFHVURJKSA-N 1 3 355.486 3.017 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCCCCOC)C[C@H]1C ZINC001103158014 1027013792 /nfs/dbraw/zinc/01/37/92/1027013792.db2.gz OKEJTVRAEKXXKK-QZTJIDSGSA-N 1 3 355.567 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1C ZINC001103158014 1027013799 /nfs/dbraw/zinc/01/37/99/1027013799.db2.gz OKEJTVRAEKXXKK-QZTJIDSGSA-N 1 3 355.567 2.608 20 0 FFADHO C[C@H]([NH3+])CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000641505916 1027241489 /nfs/dbraw/zinc/24/14/89/1027241489.db2.gz OYGLYJCAUCUKPB-SFHVURJKSA-N 1 3 354.498 2.677 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000641806549 1027314504 /nfs/dbraw/zinc/31/45/04/1027314504.db2.gz PZVGWPZELRUYRU-IRXDYDNUSA-N 1 3 355.486 2.533 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N(C)C ZINC001103408733 1027419661 /nfs/dbraw/zinc/41/96/61/1027419661.db2.gz RATVLTHZMPSGHI-DJIMGWMZSA-N 1 3 359.505 2.692 20 0 FFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N(C)C ZINC001103408733 1027419671 /nfs/dbraw/zinc/41/96/71/1027419671.db2.gz RATVLTHZMPSGHI-DJIMGWMZSA-N 1 3 359.505 2.692 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159540126 1027427203 /nfs/dbraw/zinc/42/72/03/1027427203.db2.gz QTYAEERMUURNJK-UHFFFAOYSA-N 1 3 365.525 2.900 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001103435989 1027477593 /nfs/dbraw/zinc/47/75/93/1027477593.db2.gz GVBBFGWTXSUCHO-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001103435989 1027477594 /nfs/dbraw/zinc/47/75/94/1027477594.db2.gz GVBBFGWTXSUCHO-KCZVDYSFSA-N 1 3 371.569 2.954 20 0 FFADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001103436400 1027481856 /nfs/dbraw/zinc/48/18/56/1027481856.db2.gz WPKIBUSOGOFCQD-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001103436400 1027481871 /nfs/dbraw/zinc/48/18/71/1027481871.db2.gz WPKIBUSOGOFCQD-WRWLIDTKSA-N 1 3 353.526 2.683 20 0 FFADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1C ZINC001103662698 1027916886 /nfs/dbraw/zinc/91/68/86/1027916886.db2.gz LOPQBZHEHFTLNZ-SJLPKXTDSA-N 1 3 364.509 2.527 20 0 FFADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1C ZINC001103662698 1027916888 /nfs/dbraw/zinc/91/68/88/1027916888.db2.gz LOPQBZHEHFTLNZ-SJLPKXTDSA-N 1 3 364.509 2.527 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1(C)C ZINC000249131052 1028009509 /nfs/dbraw/zinc/00/95/09/1028009509.db2.gz SHFDCOBLAFOTCC-OPYAIIAOSA-N 1 3 361.530 2.718 20 0 FFADHO CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3ccc(OC(C)(C)C)cc3)C[C@@H]2C1 ZINC001161174904 1028051292 /nfs/dbraw/zinc/05/12/92/1028051292.db2.gz GGRALYCZEZIJNB-BJLQDIEVSA-N 1 3 373.541 2.534 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722303 1028069756 /nfs/dbraw/zinc/06/97/56/1028069756.db2.gz HJPOWXNDZOYQFO-NVXWUHKLSA-N 1 3 365.468 2.635 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103722303 1028069775 /nfs/dbraw/zinc/06/97/75/1028069775.db2.gz HJPOWXNDZOYQFO-NVXWUHKLSA-N 1 3 365.468 2.635 20 0 FFADHO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)sc1C ZINC001103754488 1028141056 /nfs/dbraw/zinc/14/10/56/1028141056.db2.gz HELSITJLVFRKJH-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C2)sc1C ZINC001103754488 1028141067 /nfs/dbraw/zinc/14/10/67/1028141067.db2.gz HELSITJLVFRKJH-RHSMWYFYSA-N 1 3 366.575 2.674 20 0 FFADHO Cc1ccc(C(C)C)c(OCC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001161444135 1028176761 /nfs/dbraw/zinc/17/67/61/1028176761.db2.gz CIFWBWRXWMOAMS-GOSISDBHSA-N 1 3 361.530 2.639 20 0 FFADHO CN(C)CCN(C(=O)CC1(c2ccc(F)cc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC001161449830 1028179799 /nfs/dbraw/zinc/17/97/99/1028179799.db2.gz TUNVWCJFXLOIPQ-IBGZPJMESA-N 1 3 361.505 2.780 20 0 FFADHO Cc1ccc2cc(C(=O)N(CCN(C)C)[C@@H]3CCC[NH2+]C3)cc(C)c2n1 ZINC001161450360 1028182770 /nfs/dbraw/zinc/18/27/70/1028182770.db2.gz FUKRHJUUYKUZBB-LJQANCHMSA-N 1 3 354.498 2.607 20 0 FFADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161453374 1028184744 /nfs/dbraw/zinc/18/47/44/1028184744.db2.gz FNCHTYFKVXZHOJ-HOTGVXAUSA-N 1 3 367.415 2.568 20 0 FFADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc(F)c(CN2CCCC2)c1 ZINC001162737966 1028639895 /nfs/dbraw/zinc/63/98/95/1028639895.db2.gz VBHXLZNWOZOSLB-LJQANCHMSA-N 1 3 365.493 2.965 20 0 FFADHO C[NH+](C)Cc1cccc(CNc2cncc([C@H]3CN4CCC3CC4)n2)c1 ZINC001163992805 1029137295 /nfs/dbraw/zinc/13/72/95/1029137295.db2.gz DQDMIHGHRSALRG-IBGZPJMESA-N 1 3 351.498 2.960 20 0 FFADHO CN(C)C1(CNc2ccc3nc(C(F)(F)F)cn3c2)CC[NH+](C)CC1 ZINC001164211269 1029201715 /nfs/dbraw/zinc/20/17/15/1029201715.db2.gz NKRAAONMVAHFMW-UHFFFAOYSA-N 1 3 355.408 2.791 20 0 FFADHO CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC001157589995 1029624312 /nfs/dbraw/zinc/62/43/12/1029624312.db2.gz HAKQQYQGTLQZTQ-XLIONFOSSA-N 1 3 363.546 2.970 20 0 FFADHO C[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246805086 1029705361 /nfs/dbraw/zinc/70/53/61/1029705361.db2.gz JYONSZQBPUIUMK-KZNAEPCWSA-N 1 3 373.541 2.521 20 0 FFADHO CN[C@@H](COCc1ccccc1)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158028346 1029710759 /nfs/dbraw/zinc/71/07/59/1029710759.db2.gz PCJITPPDQQSRIH-UNMCSNQZSA-N 1 3 373.541 2.564 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(C)c1 ZINC001158028174 1029711377 /nfs/dbraw/zinc/71/13/77/1029711377.db2.gz LCIJFGYGJXAYLO-RBBKRZOGSA-N 1 3 357.542 2.946 20 0 FFADHO CC[NH+](CC)CCCC1CCN([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000782527793 1029734512 /nfs/dbraw/zinc/73/45/12/1029734512.db2.gz PZCXXOJCWZVCDQ-FQEVSTJZSA-N 1 3 365.562 2.600 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3cccc(OCc4ccccc4)n3)CC2)C1 ZINC001158260354 1029776113 /nfs/dbraw/zinc/77/61/13/1029776113.db2.gz CJVVPAZGTQRXPI-GOSISDBHSA-N 1 3 352.482 2.662 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3cccc(OCc4ccccc4)n3)CC2)C1 ZINC001158260354 1029776118 /nfs/dbraw/zinc/77/61/18/1029776118.db2.gz CJVVPAZGTQRXPI-GOSISDBHSA-N 1 3 352.482 2.662 20 0 FFADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(Cl)nc2c1CNCC2 ZINC001158293381 1029788359 /nfs/dbraw/zinc/78/83/59/1029788359.db2.gz ZDYJEZPFXSNLFD-UHFFFAOYSA-N 1 3 371.872 2.538 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC001158380742 1029815786 /nfs/dbraw/zinc/81/57/86/1029815786.db2.gz WCSNLBRIWYGREJ-CHWSQXEVSA-N 1 3 358.313 2.930 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCCNCc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC001158380742 1029815791 /nfs/dbraw/zinc/81/57/91/1029815791.db2.gz WCSNLBRIWYGREJ-CHWSQXEVSA-N 1 3 358.313 2.930 20 0 FFADHO CCOCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000782966342 1029866823 /nfs/dbraw/zinc/86/68/23/1029866823.db2.gz LQKOBBZDOWLZAL-NHCUHLMSSA-N 1 3 362.514 2.917 20 0 FFADHO C[C@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201650 1029889070 /nfs/dbraw/zinc/88/90/70/1029889070.db2.gz IOOYVUXLDMKAEP-OALUTQOASA-N 1 3 365.525 2.590 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000841019935 1029979726 /nfs/dbraw/zinc/97/97/26/1029979726.db2.gz OWXUGUCTOPSDJF-GDBMZVCRSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000841019935 1029979741 /nfs/dbraw/zinc/97/97/41/1029979741.db2.gz OWXUGUCTOPSDJF-GDBMZVCRSA-N 1 3 369.431 2.692 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C(C)C)C1 ZINC001112179643 1030160861 /nfs/dbraw/zinc/16/08/61/1030160861.db2.gz AWWYQCFXLADUNB-HUUCEWRRSA-N 1 3 351.457 2.886 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001112198322 1030215984 /nfs/dbraw/zinc/21/59/84/1030215984.db2.gz OMPHNTVKMVBHBT-HZPDHXFCSA-N 1 3 363.468 2.887 20 0 FFADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CCC([NH3+])CC1 ZINC000841709419 1030420115 /nfs/dbraw/zinc/42/01/15/1030420115.db2.gz FQIRRKUCZAPSGV-UHFFFAOYSA-N 1 3 358.530 2.735 20 0 FFADHO CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203923822 1030983808 /nfs/dbraw/zinc/98/38/08/1030983808.db2.gz HCYZMDRYJAJNRF-IFMALSPDSA-N 1 3 371.525 2.825 20 0 FFADHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203923822 1030983823 /nfs/dbraw/zinc/98/38/23/1030983823.db2.gz HCYZMDRYJAJNRF-IFMALSPDSA-N 1 3 371.525 2.825 20 0 FFADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccc[nH]1)CC2 ZINC001204005032 1031031425 /nfs/dbraw/zinc/03/14/25/1031031425.db2.gz AUIIQBAHGVALHI-HXUWFJFHSA-N 1 3 361.530 2.744 20 0 FFADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccc[nH]1)CC2 ZINC001204005032 1031031440 /nfs/dbraw/zinc/03/14/40/1031031440.db2.gz AUIIQBAHGVALHI-HXUWFJFHSA-N 1 3 361.530 2.744 20 0 FFADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)cc1 ZINC001204144615 1031127555 /nfs/dbraw/zinc/12/75/55/1031127555.db2.gz LJNIVDFYQXNWLF-NRFANRHFSA-N 1 3 360.498 2.796 20 0 FFADHO COC(=O)c1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)cc1 ZINC001204144615 1031127557 /nfs/dbraw/zinc/12/75/57/1031127557.db2.gz LJNIVDFYQXNWLF-NRFANRHFSA-N 1 3 360.498 2.796 20 0 FFADHO CN(C)C(=O)[C@H]1CC12CCN(Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204268605 1031196886 /nfs/dbraw/zinc/19/68/86/1031196886.db2.gz OCIBZDQDCLQVBZ-HXUWFJFHSA-N 1 3 373.541 2.707 20 0 FFADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCc1ccccc1OC1CCCC1 ZINC000843363604 1031355716 /nfs/dbraw/zinc/35/57/16/1031355716.db2.gz BFVVXOOOJJQFIV-UHFFFAOYSA-N 1 3 371.525 2.700 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1[nH]cnc1C)CC2 ZINC001204588823 1031380465 /nfs/dbraw/zinc/38/04/65/1031380465.db2.gz BNNYCKZSBRVGNC-IBGZPJMESA-N 1 3 369.513 2.616 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1[nH]cnc1C)CC2 ZINC001204588823 1031380482 /nfs/dbraw/zinc/38/04/82/1031380482.db2.gz BNNYCKZSBRVGNC-IBGZPJMESA-N 1 3 369.513 2.616 20 0 FFADHO Cc1ccc(N2CCN(Cc3cccc(CN4CC[NH2+]CC4)c3)CC2)cc1 ZINC001204621415 1031393664 /nfs/dbraw/zinc/39/36/64/1031393664.db2.gz GSXZBGJMGAPIQT-UHFFFAOYSA-N 1 3 364.537 2.722 20 0 FFADHO CN1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)[C@H](c2ccccc2)C1 ZINC001204692122 1031411706 /nfs/dbraw/zinc/41/17/06/1031411706.db2.gz SGOZBDZOTQQSIU-QFIPXVFZSA-N 1 3 350.510 2.585 20 0 FFADHO C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C2)CC1 ZINC000799031519 1031618846 /nfs/dbraw/zinc/61/88/46/1031618846.db2.gz AGHBSNQCRZCONW-FQEVSTJZSA-N 1 3 370.541 2.628 20 0 FFADHO CN(CC(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)C1CCC1 ZINC001150134587 1031666129 /nfs/dbraw/zinc/66/61/29/1031666129.db2.gz VELAYTZUFNICHM-VXKWHMMOSA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCCF)C1 ZINC001205325544 1031672540 /nfs/dbraw/zinc/67/25/40/1031672540.db2.gz CTQPPUJVVYJDEY-RBUKOAKNSA-N 1 3 367.484 2.800 20 0 FFADHO C[C@H]1CCN(Cc2ccc(O)cc2I)CC[C@H]1C[NH3+] ZINC001205638081 1031896939 /nfs/dbraw/zinc/89/69/39/1031896939.db2.gz LCRSALVNJLDNOY-RYUDHWBXSA-N 1 3 374.266 2.804 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCCF)C1 ZINC001205652791 1031906766 /nfs/dbraw/zinc/90/67/66/1031906766.db2.gz AJARGEHZEYVZAF-VDZJLULYSA-N 1 3 365.468 2.554 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245375 1033354758 /nfs/dbraw/zinc/35/47/58/1033354758.db2.gz AMJVITIJTWAUCG-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245375 1033354763 /nfs/dbraw/zinc/35/47/63/1033354763.db2.gz AMJVITIJTWAUCG-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO CCCCOCCN1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223245375 1033354770 /nfs/dbraw/zinc/35/47/70/1033354770.db2.gz AMJVITIJTWAUCG-MOPGFXCFSA-N 1 3 365.562 2.600 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]3(C)CC(C)(C)C[NH2+]3)cc2)CC1 ZINC001218845707 1033371561 /nfs/dbraw/zinc/37/15/61/1033371561.db2.gz IKPSOSYWEZSVTG-OAQYLSRUSA-N 1 3 358.530 2.541 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC001218889128 1033393818 /nfs/dbraw/zinc/39/38/18/1033393818.db2.gz BAGBQSKZEPFXDG-PKOBYXMFSA-N 1 3 373.501 2.733 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3c(C)nsc3C)[C@H]2C1 ZINC001223839421 1033608608 /nfs/dbraw/zinc/60/86/08/1033608608.db2.gz QUEAJWMBLPRYIO-AEFFLSMTSA-N 1 3 364.559 2.525 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3c(C)nsc3C)[C@H]2C1 ZINC001223839421 1033608616 /nfs/dbraw/zinc/60/86/16/1033608616.db2.gz QUEAJWMBLPRYIO-AEFFLSMTSA-N 1 3 364.559 2.525 20 0 FFADHO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H](N)CC1CCC1 ZINC001219489587 1033667070 /nfs/dbraw/zinc/66/70/70/1033667070.db2.gz RKFKGGPPOMRVRS-SFHVURJKSA-N 1 3 374.529 2.682 20 0 FFADHO [NH3+]C[C@@H](C(=O)NCCN1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC001219669168 1033740794 /nfs/dbraw/zinc/74/07/94/1033740794.db2.gz NYPYAUBAUMHEBS-JOCHJYFZSA-N 1 3 365.521 2.800 20 0 FFADHO CC(C)(NC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2)C1CC1 ZINC001219674177 1033743482 /nfs/dbraw/zinc/74/34/82/1033743482.db2.gz RTVPHYWTPCKIDO-DENIHFKCSA-N 1 3 355.526 2.793 20 0 FFADHO CCc1cccc2c(CN3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c[nH]c21 ZINC001138363870 1034199608 /nfs/dbraw/zinc/19/96/08/1034199608.db2.gz VZUBNSFJPDTYOU-WIYYLYMNSA-N 1 3 371.525 2.899 20 0 FFADHO CCc1cccc2c(CN3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c[nH]c21 ZINC001138363870 1034199612 /nfs/dbraw/zinc/19/96/12/1034199612.db2.gz VZUBNSFJPDTYOU-WIYYLYMNSA-N 1 3 371.525 2.899 20 0 FFADHO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220769944 1034390491 /nfs/dbraw/zinc/39/04/91/1034390491.db2.gz RPEQZFYBLUHULY-KGVIQGDOSA-N 1 3 368.525 2.585 20 0 FFADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001221196834 1034598322 /nfs/dbraw/zinc/59/83/22/1034598322.db2.gz VVJHCUBOOVFZFI-DLBZAZTESA-N 1 3 363.914 2.565 20 0 FFADHO C[S@@](=O)CC[C@H](N)C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001221272088 1034635897 /nfs/dbraw/zinc/63/58/97/1034635897.db2.gz VCDXKQRIPVGMDA-WHEQGISXSA-N 1 3 350.509 2.668 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001226554937 1034731984 /nfs/dbraw/zinc/73/19/84/1034731984.db2.gz VAOZBFQWTLBPTI-BRWVUGGUSA-N 1 3 355.523 2.945 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226875983 1034870563 /nfs/dbraw/zinc/87/05/63/1034870563.db2.gz ABTQRCDVWQFHDK-BHIYHBOVSA-N 1 3 362.518 2.683 20 0 FFADHO Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226875983 1034870573 /nfs/dbraw/zinc/87/05/73/1034870573.db2.gz ABTQRCDVWQFHDK-BHIYHBOVSA-N 1 3 362.518 2.683 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)c1cnc(C)cn1 ZINC001227150613 1034951488 /nfs/dbraw/zinc/95/14/88/1034951488.db2.gz WBTRWMOBKCGCKB-GVDBMIGSSA-N 1 3 361.534 2.593 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)c1cnc(C)cn1 ZINC001227150613 1034951493 /nfs/dbraw/zinc/95/14/93/1034951493.db2.gz WBTRWMOBKCGCKB-GVDBMIGSSA-N 1 3 361.534 2.593 20 0 FFADHO C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ncccn1 ZINC001227159746 1034954937 /nfs/dbraw/zinc/95/49/37/1034954937.db2.gz KHXWKHWTUVTOOR-MRXNPFEDSA-N 1 3 371.529 2.801 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1C ZINC001227165599 1034958400 /nfs/dbraw/zinc/95/84/00/1034958400.db2.gz NIIXJGRYYLOOAG-RTBURBONSA-N 1 3 360.546 2.946 20 0 FFADHO CN(CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)c1cc[nH+]cc1 ZINC001227184229 1034965199 /nfs/dbraw/zinc/96/51/99/1034965199.db2.gz GZBIMTPMFQJQMS-WOJBJXKFSA-N 1 3 367.497 2.520 20 0 FFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(CCCc4ccsc4)C[C@H]32)CC1 ZINC001221772751 1035056650 /nfs/dbraw/zinc/05/66/50/1035056650.db2.gz LGYGYYJYMOIEID-QZTJIDSGSA-N 1 3 361.555 2.555 20 0 FFADHO CC[C@@H](C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21)[NH+](CC)CC ZINC001221812079 1035087421 /nfs/dbraw/zinc/08/74/21/1035087421.db2.gz XUIRMRHGEDZIFV-NZSAHSFTSA-N 1 3 363.571 2.944 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cccc4cccnc43)C[C@H]21 ZINC001221919348 1035156403 /nfs/dbraw/zinc/15/64/03/1035156403.db2.gz KBCBSQUAQJLASC-UYAOXDASSA-N 1 3 366.509 2.609 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cccc4cccnc43)C[C@H]21 ZINC001221919348 1035156406 /nfs/dbraw/zinc/15/64/06/1035156406.db2.gz KBCBSQUAQJLASC-UYAOXDASSA-N 1 3 366.509 2.609 20 0 FFADHO COc1ccncc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001139607725 1035177586 /nfs/dbraw/zinc/17/75/86/1035177586.db2.gz BYMUJXMYYFXYAF-GOSISDBHSA-N 1 3 371.481 2.939 20 0 FFADHO COc1ccncc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001139607725 1035177590 /nfs/dbraw/zinc/17/75/90/1035177590.db2.gz BYMUJXMYYFXYAF-GOSISDBHSA-N 1 3 371.481 2.939 20 0 FFADHO C[C@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CCC(Cc2ccccc2)CC1 ZINC000834445274 1035386679 /nfs/dbraw/zinc/38/66/79/1035386679.db2.gz WRPQZHQZMDCXOM-LJQANCHMSA-N 1 3 369.553 2.932 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001227825591 1035758257 /nfs/dbraw/zinc/75/82/57/1035758257.db2.gz ZVQYKQXYXMJITJ-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001227825591 1035758273 /nfs/dbraw/zinc/75/82/73/1035758273.db2.gz ZVQYKQXYXMJITJ-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001227825590 1035759692 /nfs/dbraw/zinc/75/96/92/1035759692.db2.gz ZVQYKQXYXMJITJ-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001227825590 1035759703 /nfs/dbraw/zinc/75/97/03/1035759703.db2.gz ZVQYKQXYXMJITJ-GOSISDBHSA-N 1 3 350.551 2.767 20 0 FFADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC001228932260 1036415000 /nfs/dbraw/zinc/41/50/00/1036415000.db2.gz LFBPYDILMOXJAY-IPMKNSEASA-N 1 3 353.551 2.695 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(F)c1)N(C)C ZINC001229746401 1036865413 /nfs/dbraw/zinc/86/54/13/1036865413.db2.gz MXKSGWWXRVQRHM-QRVBRYPASA-N 1 3 365.493 2.562 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC001229868491 1036948784 /nfs/dbraw/zinc/94/87/84/1036948784.db2.gz JLNNAVJQWWTFBK-RTBURBONSA-N 1 3 353.551 2.552 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CC/C=C\c2ccccc2)CC[N@@H+]1C ZINC001234402169 1037021940 /nfs/dbraw/zinc/02/19/40/1037021940.db2.gz IZQYCGIXVMONPE-ZNGSKVMBSA-N 1 3 355.526 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CC/C=C\c2ccccc2)CC[N@H+]1C ZINC001234402169 1037021960 /nfs/dbraw/zinc/02/19/60/1037021960.db2.gz IZQYCGIXVMONPE-ZNGSKVMBSA-N 1 3 355.526 2.963 20 0 FFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC001230274990 1037189791 /nfs/dbraw/zinc/18/97/91/1037189791.db2.gz XMTPPWRYKJDMHY-WOJBJXKFSA-N 1 3 361.530 2.813 20 0 FFADHO CCCN1C[C@H]2C[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001207198735 1037236802 /nfs/dbraw/zinc/23/68/02/1037236802.db2.gz UGCHAXGIGCRAOP-ROUUACIJSA-N 1 3 351.535 2.907 20 0 FFADHO CCC[NH+]1C[C@H]2CN(CC3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001207198735 1037236812 /nfs/dbraw/zinc/23/68/12/1037236812.db2.gz UGCHAXGIGCRAOP-ROUUACIJSA-N 1 3 351.535 2.907 20 0 FFADHO c1ccc(C[NH+]2CCC(CN3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)CC2)cc1 ZINC001207291528 1037321134 /nfs/dbraw/zinc/32/11/34/1037321134.db2.gz RJTVUZLMDWBLCC-ZRZAMGCNSA-N 1 3 369.553 2.694 20 0 FFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001235126217 1037372281 /nfs/dbraw/zinc/37/22/81/1037372281.db2.gz PNNURHCRXVIBHJ-HDICACEKSA-N 1 3 357.498 2.978 20 0 FFADHO CN1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001235126217 1037372293 /nfs/dbraw/zinc/37/22/93/1037372293.db2.gz PNNURHCRXVIBHJ-HDICACEKSA-N 1 3 357.498 2.978 20 0 FFADHO Nc1cc(CN2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235158013 1037390475 /nfs/dbraw/zinc/39/04/75/1037390475.db2.gz TTYSMLGMXLZISK-OAHLLOKOSA-N 1 3 353.308 2.780 20 0 FFADHO C[NH+]1CCC(CCN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001207483237 1037479360 /nfs/dbraw/zinc/47/93/60/1037479360.db2.gz IVKSUIDLEYWZCJ-HSALFYBXSA-N 1 3 359.514 2.672 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1C ZINC001207540911 1037531924 /nfs/dbraw/zinc/53/19/24/1037531924.db2.gz KZQMWSDFJLNMJS-MISYRCLQSA-N 1 3 365.562 2.503 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1C ZINC001207540911 1037531930 /nfs/dbraw/zinc/53/19/30/1037531930.db2.gz KZQMWSDFJLNMJS-MISYRCLQSA-N 1 3 365.562 2.503 20 0 FFADHO Nc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Br)cn1 ZINC001235423367 1037542323 /nfs/dbraw/zinc/54/23/23/1037542323.db2.gz GEWQBKJSPOXDHK-STQMWFEESA-N 1 3 353.308 2.638 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001207550548 1037543114 /nfs/dbraw/zinc/54/31/14/1037543114.db2.gz ALVAZYGAPZERPI-LPTQZCDUSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001207550548 1037543129 /nfs/dbraw/zinc/54/31/29/1037543129.db2.gz ALVAZYGAPZERPI-LPTQZCDUSA-N 1 3 355.526 2.841 20 0 FFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCCCCO)CC2 ZINC001235526815 1037608090 /nfs/dbraw/zinc/60/80/90/1037608090.db2.gz TZXWKNBCDOBPAR-KRWDZBQOSA-N 1 3 352.544 2.966 20 0 FFADHO CCc1ccc(C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)s1 ZINC001231499954 1037635532 /nfs/dbraw/zinc/63/55/32/1037635532.db2.gz NRMSLBYEIXDXHF-UHFFFAOYSA-N 1 3 359.539 2.635 20 0 FFADHO CCc1ccc(C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)s1 ZINC001231499954 1037635539 /nfs/dbraw/zinc/63/55/39/1037635539.db2.gz NRMSLBYEIXDXHF-UHFFFAOYSA-N 1 3 359.539 2.635 20 0 FFADHO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4ccc5c(c4)C[NH2+]C5)CCN3C2)c1 ZINC001235598084 1037636484 /nfs/dbraw/zinc/63/64/84/1037636484.db2.gz RVSRNACKROUKTM-UNMCSNQZSA-N 1 3 367.468 2.766 20 0 FFADHO CCCN(CCCC[NH3+])[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001235718758 1037707932 /nfs/dbraw/zinc/70/79/32/1037707932.db2.gz NFXXPCNPCQKZOL-CYBMUJFWSA-N 1 3 355.504 2.621 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2COc3c(F)cc(F)cc3C2)CC1 ZINC001207775034 1037713170 /nfs/dbraw/zinc/71/31/70/1037713170.db2.gz PKBCKEARXZOYAZ-GNZRSQJKSA-N 1 3 366.452 2.891 20 0 FFADHO Cc1cc(N2CCN(C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CC2)cc[nH+]1 ZINC001207781876 1037718458 /nfs/dbraw/zinc/71/84/58/1037718458.db2.gz PAMJKBRSJUJSBU-LDLYASANSA-N 1 3 372.513 2.625 20 0 FFADHO Cc1c(Cl)ccc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1F ZINC001277561529 1037879528 /nfs/dbraw/zinc/87/95/28/1037879528.db2.gz BNWCZLWHMPNASM-LJQANCHMSA-N 1 3 367.896 2.774 20 0 FFADHO FC(F)(F)c1ccc2c(c1)C1(CO2)CC[NH+](CC[C@@H]2CNCCO2)CC1 ZINC001236006774 1037885106 /nfs/dbraw/zinc/88/51/06/1037885106.db2.gz UJEJKDFYMXMGDC-OAHLLOKOSA-N 1 3 370.415 2.810 20 0 FFADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207959857 1037894858 /nfs/dbraw/zinc/89/48/58/1037894858.db2.gz MSHLRHUJFQRLKG-RTWAWAEBSA-N 1 3 373.541 2.954 20 0 FFADHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccccc3OCc3ccccc3)C2)C1 ZINC001236072262 1037915629 /nfs/dbraw/zinc/91/56/29/1037915629.db2.gz FRWTVOGTKSHJNN-OAQYLSRUSA-N 1 3 351.494 2.873 20 0 FFADHO Cc1cccc(-c2ccc(CN3CCC[C@H](N4CC([NH3+])C4)C3)cn2)c1C ZINC001236080892 1037923154 /nfs/dbraw/zinc/92/31/54/1037923154.db2.gz YIAFMHDRHFNMHC-FQEVSTJZSA-N 1 3 350.510 2.973 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001236083023 1037925706 /nfs/dbraw/zinc/92/57/06/1037925706.db2.gz LHHYTSJUWNWDIQ-UHFFFAOYSA-N 1 3 362.880 2.878 20 0 FFADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc5ccsc5c4)CC3)[C@@H]2C1 ZINC001278872254 1038018379 /nfs/dbraw/zinc/01/83/79/1038018379.db2.gz NRNZDUVWBYBJTE-IAGOWNOFSA-N 1 3 355.507 2.544 20 0 FFADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc5ccsc5c4)CC3)[C@@H]2C1 ZINC001278872254 1038018393 /nfs/dbraw/zinc/01/83/93/1038018393.db2.gz NRNZDUVWBYBJTE-IAGOWNOFSA-N 1 3 355.507 2.544 20 0 FFADHO Cc1cc(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cnc1F ZINC001231928502 1038024893 /nfs/dbraw/zinc/02/48/93/1038024893.db2.gz OIZZCAVMPQTHAJ-UHFFFAOYSA-N 1 3 357.477 2.770 20 0 FFADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128792 1038064056 /nfs/dbraw/zinc/06/40/56/1038064056.db2.gz HWZJXYZTWKXLIU-UYAOXDASSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)COCCN1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128792 1038064070 /nfs/dbraw/zinc/06/40/70/1038064070.db2.gz HWZJXYZTWKXLIU-UYAOXDASSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CCN1C ZINC001255630714 1038089433 /nfs/dbraw/zinc/08/94/33/1038089433.db2.gz QJXJLNJBMYDVKG-WMLDXEAASA-N 1 3 352.910 2.506 20 0 FFADHO NC(=O)C1CCN(C2CC[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC001255720532 1038142603 /nfs/dbraw/zinc/14/26/03/1038142603.db2.gz MFKJEMWKPCOHNI-GDBMZVCRSA-N 1 3 361.452 2.769 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cccc(C(F)(F)F)n3)CC2)CC1 ZINC001232075274 1038153084 /nfs/dbraw/zinc/15/30/84/1038153084.db2.gz PMMJOUWYPSJQMN-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCN(C2CCC2)CC1 ZINC001255807909 1038180441 /nfs/dbraw/zinc/18/04/41/1038180441.db2.gz JQGOLVJXZLJSMV-INIZCTEOSA-N 1 3 350.528 2.703 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001255941694 1038265517 /nfs/dbraw/zinc/26/55/17/1038265517.db2.gz XEHNSZJYXMDXRO-IRXDYDNUSA-N 1 3 369.550 2.722 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001255960457 1038274157 /nfs/dbraw/zinc/27/41/57/1038274157.db2.gz SIZZXOICWGXDRV-HQRMLTQVSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@H]2C1 ZINC001255960457 1038274167 /nfs/dbraw/zinc/27/41/67/1038274167.db2.gz SIZZXOICWGXDRV-HQRMLTQVSA-N 1 3 361.505 2.836 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@H]2C1 ZINC001255960457 1038274171 /nfs/dbraw/zinc/27/41/71/1038274171.db2.gz SIZZXOICWGXDRV-HQRMLTQVSA-N 1 3 361.505 2.836 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255996054 1038300747 /nfs/dbraw/zinc/30/07/47/1038300747.db2.gz SCWLZQALFSJZND-BCDXTJNWSA-N 1 3 368.518 2.647 20 0 FFADHO CCOC(=O)CCC(CCC(=O)OCC)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255996054 1038300761 /nfs/dbraw/zinc/30/07/61/1038300761.db2.gz SCWLZQALFSJZND-BCDXTJNWSA-N 1 3 368.518 2.647 20 0 FFADHO COc1cccc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001208435006 1038313416 /nfs/dbraw/zinc/31/34/16/1038313416.db2.gz NQSMFBWIAZRNSP-JTDSTZFVSA-N 1 3 359.514 2.535 20 0 FFADHO FC(F)(F)c1cc(N(C2CC[NH2+]CC2)C2CCN(C3CC3)CC2)ncn1 ZINC001256083310 1038368941 /nfs/dbraw/zinc/36/89/41/1038368941.db2.gz REOVHCPWCQHVQD-UHFFFAOYSA-N 1 3 369.435 2.681 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCC3(CC2)CN(Cc2cccs2)CCO3)C1 ZINC001208606761 1038441987 /nfs/dbraw/zinc/44/19/87/1038441987.db2.gz HGWQFGQEVIUNKV-SFHVURJKSA-N 1 3 363.571 2.757 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCC3(CC2)CN(Cc2cccs2)CCO3)C1 ZINC001208606761 1038441992 /nfs/dbraw/zinc/44/19/92/1038441992.db2.gz HGWQFGQEVIUNKV-SFHVURJKSA-N 1 3 363.571 2.757 20 0 FFADHO C[C@H]1C[C@H]([NH2+]CC2CCN(C3COC3)CC2)CCN1Cc1ccccc1 ZINC001256536209 1038550846 /nfs/dbraw/zinc/55/08/46/1038550846.db2.gz JLHDQFFZBIFKFO-GHTZIAJQSA-N 1 3 357.542 2.740 20 0 FFADHO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256630901 1038584871 /nfs/dbraw/zinc/58/48/71/1038584871.db2.gz MUBOZFJHBQMYJW-IUPYZPJSSA-N 1 3 357.542 2.835 20 0 FFADHO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256630901 1038584875 /nfs/dbraw/zinc/58/48/75/1038584875.db2.gz MUBOZFJHBQMYJW-IUPYZPJSSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256630901 1038584879 /nfs/dbraw/zinc/58/48/79/1038584879.db2.gz MUBOZFJHBQMYJW-IUPYZPJSSA-N 1 3 357.542 2.835 20 0 FFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256630901 1038584884 /nfs/dbraw/zinc/58/48/84/1038584884.db2.gz MUBOZFJHBQMYJW-IUPYZPJSSA-N 1 3 357.542 2.835 20 0 FFADHO O=C(CCC[NH2+]C1CCC(N2CCOCC2)CC1)OCc1ccccc1 ZINC001256679746 1038599213 /nfs/dbraw/zinc/59/92/13/1038599213.db2.gz SJRLDBTYOWXHOD-UHFFFAOYSA-N 1 3 360.498 2.743 20 0 FFADHO CCOC(=O)Cc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256681525 1038600543 /nfs/dbraw/zinc/60/05/43/1038600543.db2.gz USJJGKGXXYEIIJ-UHFFFAOYSA-N 1 3 360.498 2.525 20 0 FFADHO c1cnc2c(c1)cccc2OCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682707 1038600789 /nfs/dbraw/zinc/60/07/89/1038600789.db2.gz NDPFWRMMHXBUTD-UHFFFAOYSA-N 1 3 355.482 2.847 20 0 FFADHO CC(=O)N1CCCC[C@]12CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951401 1038602144 /nfs/dbraw/zinc/60/21/44/1038602144.db2.gz KWBSXNQENBYJPK-FCHUYYIVSA-N 1 3 355.526 2.985 20 0 FFADHO CC(=O)N1CCCC[C@]12CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951401 1038602149 /nfs/dbraw/zinc/60/21/49/1038602149.db2.gz KWBSXNQENBYJPK-FCHUYYIVSA-N 1 3 355.526 2.985 20 0 FFADHO CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256686689 1038602963 /nfs/dbraw/zinc/60/29/63/1038602963.db2.gz BQJILDZUYQOXMO-KUPNBSADSA-N 1 3 367.534 2.617 20 0 FFADHO CN1CC2(C1)CC[NH+](CC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2 ZINC001209012546 1038631728 /nfs/dbraw/zinc/63/17/28/1038631728.db2.gz DQULBCKHGLLUPN-INIZCTEOSA-N 1 3 367.534 2.776 20 0 FFADHO c1cc(CNC2CCN(c3cc[nH+]cc3)CC2)nc(OCC2CCC2)n1 ZINC001256854646 1038635347 /nfs/dbraw/zinc/63/53/47/1038635347.db2.gz XCOJQOSPMAHYPA-UHFFFAOYSA-N 1 3 353.470 2.809 20 0 FFADHO CCCCN(C)CCC[NH2+]C1CCC(C(=O)OCC)(C(=O)OCC)CC1 ZINC001256990510 1038672580 /nfs/dbraw/zinc/67/25/80/1038672580.db2.gz BFWDJDWEMFNCFO-UHFFFAOYSA-N 1 3 370.534 2.753 20 0 FFADHO COCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001209135197 1038678641 /nfs/dbraw/zinc/67/86/41/1038678641.db2.gz XWVFVCAJABVVTF-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO COCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001209135197 1038678643 /nfs/dbraw/zinc/67/86/43/1038678643.db2.gz XWVFVCAJABVVTF-GUDVDZBRSA-N 1 3 353.551 2.504 20 0 FFADHO CCC[NH+](CCC)CCN1CCN(CCCC(C)(C)OC(C)=O)CC1 ZINC001209155440 1038689133 /nfs/dbraw/zinc/68/91/33/1038689133.db2.gz LPHLHFNUQLGRDI-UHFFFAOYSA-N 1 3 355.567 2.848 20 0 FFADHO COC[C@@H]1C[C@@H]([NH2+]C2CCN(CC(C)C)CC2)CN1C(=O)OC(C)(C)C ZINC001258008880 1039108242 /nfs/dbraw/zinc/10/82/42/1039108242.db2.gz JBZVKECHTCZHHG-MSOLQXFVSA-N 1 3 369.550 2.721 20 0 FFADHO CC(C)CN1CCC([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC1 ZINC001258015414 1039114747 /nfs/dbraw/zinc/11/47/47/1039114747.db2.gz TXDSNDYLXXUYOF-UHFFFAOYSA-N 1 3 350.551 2.719 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001245980370 1039174877 /nfs/dbraw/zinc/17/48/77/1039174877.db2.gz CVFOUJWRMLQKLN-MGPQQGTHSA-N 1 3 361.313 2.706 20 0 FFADHO C[C@@H]1C[N@@H+](CCc2nnc(-c3cnccc3N3CCCCC3)o2)C[C@H](C)O1 ZINC001258120782 1039191473 /nfs/dbraw/zinc/19/14/73/1039191473.db2.gz SYMIACSKJUXSEV-IYBDPMFKSA-N 1 3 371.485 2.774 20 0 FFADHO C[C@@H]1C[N@H+](CCc2nnc(-c3cnccc3N3CCCCC3)o2)C[C@H](C)O1 ZINC001258120782 1039191481 /nfs/dbraw/zinc/19/14/81/1039191481.db2.gz SYMIACSKJUXSEV-IYBDPMFKSA-N 1 3 371.485 2.774 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001246023957 1039199378 /nfs/dbraw/zinc/19/93/78/1039199378.db2.gz SUPDAQBXIHDHGX-PXNSSMCTSA-N 1 3 350.503 2.664 20 0 FFADHO CCC[NH+](CCC)CCN1CCN([C@H](C)CCCC(=O)OCC)CC1 ZINC001258125852 1039199526 /nfs/dbraw/zinc/19/95/26/1039199526.db2.gz RMABUONMATXOKS-LJQANCHMSA-N 1 3 355.567 2.848 20 0 FFADHO Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC001246042242 1039210581 /nfs/dbraw/zinc/21/05/81/1039210581.db2.gz DSESEDYETFHONM-QHAWAJNXSA-N 1 3 354.494 2.769 20 0 FFADHO Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC001246042242 1039210592 /nfs/dbraw/zinc/21/05/92/1039210592.db2.gz DSESEDYETFHONM-QHAWAJNXSA-N 1 3 354.494 2.769 20 0 FFADHO Brc1ccc2c(c1)C[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)C2 ZINC001246152085 1039258058 /nfs/dbraw/zinc/25/80/58/1039258058.db2.gz OFJCXCVUBIHXDQ-KURKYZTESA-N 1 3 365.315 2.665 20 0 FFADHO Brc1ccc2c(c1)C[C@H](NC[C@@]13CCCO[C@@H]1CC[NH2+]C3)C2 ZINC001246152085 1039258075 /nfs/dbraw/zinc/25/80/75/1039258075.db2.gz OFJCXCVUBIHXDQ-KURKYZTESA-N 1 3 365.315 2.665 20 0 FFADHO COC(=O)c1ccc(CC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246316645 1039311488 /nfs/dbraw/zinc/31/14/88/1039311488.db2.gz JVUNZRLFWVXBNX-LEWJYISDSA-N 1 3 352.478 2.969 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CCCCN1CN[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246350613 1039319108 /nfs/dbraw/zinc/31/91/08/1039319108.db2.gz NKFOAIWDDRORNM-ABSDTBQOSA-N 1 3 351.535 2.652 20 0 FFADHO COc1cccc(CC2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246373820 1039329224 /nfs/dbraw/zinc/32/92/24/1039329224.db2.gz CINSIEQRLWHUFS-WBVHZDCISA-N 1 3 371.447 2.632 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@@H](CC)CC(C)C)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246409737 1039344446 /nfs/dbraw/zinc/34/44/46/1039344446.db2.gz GYGDLOKSUFHXAR-GRUVHVDGSA-N 1 3 356.551 2.703 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C[C@@H]1CNCCC2 ZINC001246596183 1039408661 /nfs/dbraw/zinc/40/86/61/1039408661.db2.gz PLGBJNGAVUZPNZ-HIUFNZKISA-N 1 3 372.509 2.771 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C[C@@H]1CNCCC2 ZINC001246596183 1039408668 /nfs/dbraw/zinc/40/86/68/1039408668.db2.gz PLGBJNGAVUZPNZ-HIUFNZKISA-N 1 3 372.509 2.771 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCO[C@H](c4ccccc4)C3)C[C@@H]1CNCCC2 ZINC001246596189 1039409167 /nfs/dbraw/zinc/40/91/67/1039409167.db2.gz PLGBJNGAVUZPNZ-XWUOBKMESA-N 1 3 372.509 2.771 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCO[C@H](c4ccccc4)C3)C[C@@H]1CNCCC2 ZINC001246596189 1039409172 /nfs/dbraw/zinc/40/91/72/1039409172.db2.gz PLGBJNGAVUZPNZ-XWUOBKMESA-N 1 3 372.509 2.771 20 0 FFADHO CCOC(=O)[C@H]1CC2(CN1[C@@H]1CCc3c(C)cccc3C1)CC[NH2+]CC2 ZINC001246606308 1039413050 /nfs/dbraw/zinc/41/30/50/1039413050.db2.gz XRQRRCLGCQAVNS-UYAOXDASSA-N 1 3 356.510 2.860 20 0 FFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1C ZINC001210180045 1039422018 /nfs/dbraw/zinc/42/20/18/1039422018.db2.gz XGVDIIHLKLRWCS-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1C ZINC001210180045 1039422028 /nfs/dbraw/zinc/42/20/28/1039422028.db2.gz XGVDIIHLKLRWCS-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246674646 1039435938 /nfs/dbraw/zinc/43/59/38/1039435938.db2.gz VKBKVCSGSKPRFW-CZTZKLFOSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246674646 1039435943 /nfs/dbraw/zinc/43/59/43/1039435943.db2.gz VKBKVCSGSKPRFW-CZTZKLFOSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246674646 1039435947 /nfs/dbraw/zinc/43/59/47/1039435947.db2.gz VKBKVCSGSKPRFW-CZTZKLFOSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246674655 1039436093 /nfs/dbraw/zinc/43/60/93/1039436093.db2.gz VKBKVCSGSKPRFW-RCZSKKKRSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246674655 1039436099 /nfs/dbraw/zinc/43/60/99/1039436099.db2.gz VKBKVCSGSKPRFW-RCZSKKKRSA-N 1 3 357.542 2.887 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246674655 1039436103 /nfs/dbraw/zinc/43/61/03/1039436103.db2.gz VKBKVCSGSKPRFW-RCZSKKKRSA-N 1 3 357.542 2.887 20 0 FFADHO Cc1nc(CN2CCC3(CCN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)C2=O)cs1 ZINC001246694310 1039441375 /nfs/dbraw/zinc/44/13/75/1039441375.db2.gz LQOVPXGMWKWUCQ-BYICEURKSA-N 1 3 374.554 2.549 20 0 FFADHO O=C(c1cccs1)N1CCC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246720936 1039449875 /nfs/dbraw/zinc/44/98/75/1039449875.db2.gz CRYLSRHNMXVQDI-SJPCQFCGSA-N 1 3 359.539 2.959 20 0 FFADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCN1 ZINC001246745321 1039461883 /nfs/dbraw/zinc/46/18/83/1039461883.db2.gz GVPRGIOFQVFQEI-HDAAZOAOSA-N 1 3 359.514 2.720 20 0 FFADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)CCN1 ZINC001246745321 1039461891 /nfs/dbraw/zinc/46/18/91/1039461891.db2.gz GVPRGIOFQVFQEI-HDAAZOAOSA-N 1 3 359.514 2.720 20 0 FFADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)CCN1 ZINC001246757931 1039468844 /nfs/dbraw/zinc/46/88/44/1039468844.db2.gz MZZTXWMUYXCRQA-LEAZDLGRSA-N 1 3 373.516 2.883 20 0 FFADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)CCN1 ZINC001246757931 1039468854 /nfs/dbraw/zinc/46/88/54/1039468854.db2.gz MZZTXWMUYXCRQA-LEAZDLGRSA-N 1 3 373.516 2.883 20 0 FFADHO Clc1ccc2c(c1)nccc2N1CCN([C@@H]2CSC3(C[NH2+]C3)C2)CC1 ZINC001246775363 1039475848 /nfs/dbraw/zinc/47/58/48/1039475848.db2.gz JXQNROSIUOBBNU-HNNXBMFYSA-N 1 3 374.941 2.858 20 0 FFADHO Nc1nc(-c2nc3cc(N4CC[NH+](Cc5ccccc5)CC4)ccc3[nH]2)c[nH]1 ZINC001247012088 1039577440 /nfs/dbraw/zinc/57/74/40/1039577440.db2.gz ZHEMXFFZLPLTSB-UHFFFAOYSA-N 1 3 373.464 2.857 20 0 FFADHO CCOc1ccncc1C[NH2+][C@@]12CC[C@@](NCc3cn[nH]c3)(C1)CCC2 ZINC001278676075 1039638377 /nfs/dbraw/zinc/63/83/77/1039638377.db2.gz WQZQOXQLWLZMEQ-UXHICEINSA-N 1 3 355.486 2.928 20 0 FFADHO COc1ccc(O[C@@H](C)CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252943125 1039839826 /nfs/dbraw/zinc/83/98/26/1039839826.db2.gz FDHRGCCUJVXROU-PGRDOPGGSA-N 1 3 370.493 2.689 20 0 FFADHO COc1ccc(O[C@@H](C)CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252943125 1039839851 /nfs/dbraw/zinc/83/98/51/1039839851.db2.gz FDHRGCCUJVXROU-PGRDOPGGSA-N 1 3 370.493 2.689 20 0 FFADHO O[C@]1(CNC[C@H]2CCc3ccccc3O2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951549 1039862417 /nfs/dbraw/zinc/86/24/17/1039862417.db2.gz SLSROYGAURGEFC-IRLDBZIGSA-N 1 3 352.478 2.607 20 0 FFADHO O[C@]1(CNC[C@H]2CCc3ccccc3O2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951549 1039862450 /nfs/dbraw/zinc/86/24/50/1039862450.db2.gz SLSROYGAURGEFC-IRLDBZIGSA-N 1 3 352.478 2.607 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001211299925 1040070108 /nfs/dbraw/zinc/07/01/08/1040070108.db2.gz CMMDJVILHUFBRF-DYESRHJHSA-N 1 3 368.525 2.980 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211358473 1040100872 /nfs/dbraw/zinc/10/08/72/1040100872.db2.gz CZUREJYLXXZXNC-VAMGGRTRSA-N 1 3 367.578 2.606 20 0 FFADHO CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253397207 1040153937 /nfs/dbraw/zinc/15/39/37/1040153937.db2.gz MOWPTJAXBWCDDU-IAGOWNOFSA-N 1 3 371.566 2.704 20 0 FFADHO CCC[N@H+](C[C@H](O)CNC(C)(C)C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253397207 1040153941 /nfs/dbraw/zinc/15/39/41/1040153941.db2.gz MOWPTJAXBWCDDU-IAGOWNOFSA-N 1 3 371.566 2.704 20 0 FFADHO CCC[N@@H+](C[C@H](O)CNC(C)(C)C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253397207 1040153943 /nfs/dbraw/zinc/15/39/43/1040153943.db2.gz MOWPTJAXBWCDDU-IAGOWNOFSA-N 1 3 371.566 2.704 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1(Cc2cccc(F)c2)CCOCC1 ZINC001253411814 1040158681 /nfs/dbraw/zinc/15/86/81/1040158681.db2.gz XLGFKLLHDUWBAM-SFHVURJKSA-N 1 3 352.494 2.504 20 0 FFADHO C[NH+](C)CCC(C)(C)NC[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253432861 1040178892 /nfs/dbraw/zinc/17/88/92/1040178892.db2.gz BZPSRPPVNQUHFW-GOSISDBHSA-N 1 3 364.530 2.822 20 0 FFADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001213219207 1040343656 /nfs/dbraw/zinc/34/36/56/1040343656.db2.gz GINZFBXAGLGGCK-RTBURBONSA-N 1 3 371.541 2.596 20 0 FFADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001213219207 1040343661 /nfs/dbraw/zinc/34/36/61/1040343661.db2.gz GINZFBXAGLGGCK-RTBURBONSA-N 1 3 371.541 2.596 20 0 FFADHO CCOC(=O)[C@@H]1CCCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040489 1040542298 /nfs/dbraw/zinc/54/22/98/1040542298.db2.gz VLMXFKDYENDEGV-HXUWFJFHSA-N 1 3 374.525 2.679 20 0 FFADHO CCOC(=O)[C@@H]1CCCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040489 1040542320 /nfs/dbraw/zinc/54/23/20/1040542320.db2.gz VLMXFKDYENDEGV-HXUWFJFHSA-N 1 3 374.525 2.679 20 0 FFADHO c1ccc(C[C@@]2(c3nc(-c4ccc5c(n4)CCNC5)no3)CCC[NH2+]2)cc1 ZINC001249353337 1040698470 /nfs/dbraw/zinc/69/84/70/1040698470.db2.gz XZBMQRGLDXYERS-OAQYLSRUSA-N 1 3 361.449 2.599 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001254532992 1040783361 /nfs/dbraw/zinc/78/33/61/1040783361.db2.gz ZRDGAEZLDUCDCM-KBPBESRZSA-N 1 3 358.408 2.823 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001254532992 1040783380 /nfs/dbraw/zinc/78/33/80/1040783380.db2.gz ZRDGAEZLDUCDCM-KBPBESRZSA-N 1 3 358.408 2.823 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1OC ZINC001213702758 1040811117 /nfs/dbraw/zinc/81/11/17/1040811117.db2.gz VAJPXJNHKKFBHZ-HSALFYBXSA-N 1 3 367.578 2.893 20 0 FFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1OC ZINC001213702758 1040811131 /nfs/dbraw/zinc/81/11/31/1040811131.db2.gz VAJPXJNHKKFBHZ-HSALFYBXSA-N 1 3 367.578 2.893 20 0 FFADHO O=C1CCC2(CCN([C@H]3CC4CC[NH+](CC4)C3)CC2)N1Cc1ccncc1 ZINC001254861933 1041016646 /nfs/dbraw/zinc/01/66/46/1041016646.db2.gz XIZNHEKKWARNAG-FQEVSTJZSA-N 1 3 368.525 2.523 20 0 FFADHO CO[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001213922114 1041075490 /nfs/dbraw/zinc/07/54/90/1041075490.db2.gz RSYDXUVJGWGCBJ-WOJBJXKFSA-N 1 3 361.530 2.613 20 0 FFADHO CO[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001213922114 1041075509 /nfs/dbraw/zinc/07/55/09/1041075509.db2.gz RSYDXUVJGWGCBJ-WOJBJXKFSA-N 1 3 361.530 2.613 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N2CC[C@H](N4CCOCC4)C2)C3)cc1 ZINC001255143348 1041168548 /nfs/dbraw/zinc/16/85/48/1041168548.db2.gz KOBQFHTYILNNOH-LRSLUSHPSA-N 1 3 355.526 2.589 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2CC[C@H](N4CCOCC4)C2)C3)cc1 ZINC001255143348 1041168558 /nfs/dbraw/zinc/16/85/58/1041168558.db2.gz KOBQFHTYILNNOH-LRSLUSHPSA-N 1 3 355.526 2.589 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+]Cc3ccccc3N3CCCC3)c2)nn1 ZINC001261903932 1041469091 /nfs/dbraw/zinc/46/90/91/1041469091.db2.gz OSKSOYRZXMBTEG-UHFFFAOYSA-N 1 3 362.481 2.616 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001215001367 1041641241 /nfs/dbraw/zinc/64/12/41/1041641241.db2.gz FTIZJCUMLVRTJJ-VQIMIIECSA-N 1 3 360.546 2.872 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001215001367 1041641245 /nfs/dbraw/zinc/64/12/45/1041641245.db2.gz FTIZJCUMLVRTJJ-VQIMIIECSA-N 1 3 360.546 2.872 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1ccccc1OC1CC1 ZINC001215416173 1041775318 /nfs/dbraw/zinc/77/53/18/1041775318.db2.gz PBVRIZQQUPJERM-VQIMIIECSA-N 1 3 371.525 2.506 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCOc2ccccc2C)C1)N(C)C ZINC001215575452 1041830868 /nfs/dbraw/zinc/83/08/68/1041830868.db2.gz SQZOMJMGLZPOAH-QRVBRYPASA-N 1 3 361.530 2.541 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(C)c2)C1 ZINC001215973015 1041920275 /nfs/dbraw/zinc/92/02/75/1041920275.db2.gz LFHPYLXBJCFIED-UYAOXDASSA-N 1 3 360.546 2.839 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001215972905 1041920488 /nfs/dbraw/zinc/92/04/88/1041920488.db2.gz CYAYBAKEWXDFBU-CEXWTWQISA-N 1 3 353.551 2.504 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC001215989743 1041923887 /nfs/dbraw/zinc/92/38/87/1041923887.db2.gz KXKRCRDGWAXWLP-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO O=C([C@H]1[NH2+]CC12CCCC2)N1CCCN(CCCc2ccccc2)CC1 ZINC001263067329 1042081371 /nfs/dbraw/zinc/08/13/71/1042081371.db2.gz KHYJHDHABHLEPQ-HXUWFJFHSA-N 1 3 355.526 2.686 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001263120404 1042115290 /nfs/dbraw/zinc/11/52/90/1042115290.db2.gz AKSRBINAGHSHKN-APWZRJJASA-N 1 3 356.514 2.503 20 0 FFADHO O=C(Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1)c1cccc2c1CNC2 ZINC001263186677 1042157445 /nfs/dbraw/zinc/15/74/45/1042157445.db2.gz LPYYDQDNYOBQOS-UHFFFAOYSA-N 1 3 361.449 2.885 20 0 FFADHO [NH3+][C@H]1CC2(CCN(C(=O)c3ccc4c(c3)CNC4)CC2)Oc2ccccc21 ZINC001263224035 1042181339 /nfs/dbraw/zinc/18/13/39/1042181339.db2.gz ZUEWWTWJWVDQLJ-IBGZPJMESA-N 1 3 363.461 2.747 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CCN1CCc1ccccc1F ZINC001264055615 1042601219 /nfs/dbraw/zinc/60/12/19/1042601219.db2.gz GWHJVTBEDCMOFU-ZCNNSNEGSA-N 1 3 363.521 2.924 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1CCc1ccccc1F ZINC001264055615 1042601221 /nfs/dbraw/zinc/60/12/21/1042601221.db2.gz GWHJVTBEDCMOFU-ZCNNSNEGSA-N 1 3 363.521 2.924 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1CCc1ccccc1F ZINC001264055615 1042601224 /nfs/dbraw/zinc/60/12/24/1042601224.db2.gz GWHJVTBEDCMOFU-ZCNNSNEGSA-N 1 3 363.521 2.924 20 0 FFADHO CCc1ccc(CN2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)s1 ZINC001279270959 1042976857 /nfs/dbraw/zinc/97/68/57/1042976857.db2.gz HYWHJPZJSAGKRE-LJQANCHMSA-N 1 3 351.560 2.539 20 0 FFADHO CC(C)Oc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001279276141 1042979394 /nfs/dbraw/zinc/97/93/94/1042979394.db2.gz ANYDCKONASBETA-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO CC(C)Oc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001279276141 1042979399 /nfs/dbraw/zinc/97/93/99/1042979399.db2.gz ANYDCKONASBETA-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO Cc1nc(C)c(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)s1 ZINC001279387847 1043043842 /nfs/dbraw/zinc/04/38/42/1043043842.db2.gz VAUFTQQHMXUVLN-UHFFFAOYSA-N 1 3 364.559 2.526 20 0 FFADHO CSc1ccccc1CN1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001279414530 1043081495 /nfs/dbraw/zinc/08/14/95/1043081495.db2.gz KVWCEEIUEDMJKM-HXUWFJFHSA-N 1 3 363.571 2.637 20 0 FFADHO Clc1ncsc1CN1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279423899 1043098638 /nfs/dbraw/zinc/09/86/38/1043098638.db2.gz SFINOFWECPLLGS-GASCZTMLSA-N 1 3 365.934 2.837 20 0 FFADHO Clc1ncsc1CN1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279423899 1043098649 /nfs/dbraw/zinc/09/86/49/1043098649.db2.gz SFINOFWECPLLGS-GASCZTMLSA-N 1 3 365.934 2.837 20 0 FFADHO Cc1cc(F)ncc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279453486 1043133342 /nfs/dbraw/zinc/13/33/42/1043133342.db2.gz XUKHPNPYHSMLPC-UHFFFAOYSA-N 1 3 357.477 2.714 20 0 FFADHO Cc1cc(F)ncc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279453486 1043133344 /nfs/dbraw/zinc/13/33/44/1043133344.db2.gz XUKHPNPYHSMLPC-UHFFFAOYSA-N 1 3 357.477 2.714 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2c(Cl)[nH]c3ccccc32)CCC12C[NH2+]C2 ZINC001237432504 1043158524 /nfs/dbraw/zinc/15/85/24/1043158524.db2.gz YOUPLTVXBHWUQU-OAHLLOKOSA-N 1 3 361.873 2.796 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3cccc(-c4ccccc4)n3)CC2)CC1 ZINC001237550215 1043233781 /nfs/dbraw/zinc/23/37/81/1043233781.db2.gz ODYXBVFCTBTMPD-UHFFFAOYSA-N 1 3 350.510 2.960 20 0 FFADHO C[NH+](C)CCN1CC[C@H]2CN(Cc3c(F)c(F)cc(F)c3F)C[C@H]2CC1 ZINC001279538709 1043236419 /nfs/dbraw/zinc/23/64/19/1043236419.db2.gz IHLFAYDSMODFHL-OKILXGFUSA-N 1 3 373.438 2.948 20 0 FFADHO CCn1nc(C)c(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1C ZINC001279612544 1043340213 /nfs/dbraw/zinc/34/02/13/1043340213.db2.gz YBNQBUAMZVWVFT-UHFFFAOYSA-N 1 3 356.518 2.731 20 0 FFADHO CCn1nc(C)c(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1C ZINC001279612544 1043340222 /nfs/dbraw/zinc/34/02/22/1043340222.db2.gz YBNQBUAMZVWVFT-UHFFFAOYSA-N 1 3 356.518 2.731 20 0 FFADHO COc1ccccc1CC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279618286 1043349780 /nfs/dbraw/zinc/34/97/80/1043349780.db2.gz VDQPEIZVSRZNEE-BGYRXZFFSA-N 1 3 354.498 2.805 20 0 FFADHO COc1ccccc1CC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279618286 1043349787 /nfs/dbraw/zinc/34/97/87/1043349787.db2.gz VDQPEIZVSRZNEE-BGYRXZFFSA-N 1 3 354.498 2.805 20 0 FFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2ccc4c(c2)COC4)CC3)cn1 ZINC001279644889 1043392493 /nfs/dbraw/zinc/39/24/93/1043392493.db2.gz DPYNZEVBZUQUMJ-UHFFFAOYSA-N 1 3 352.482 2.511 20 0 FFADHO COc1c(O)cccc1C[NH2+][C@@]12CC[C@@](NCc3cn[nH]c3)(C1)CCC2 ZINC001279723577 1043529962 /nfs/dbraw/zinc/52/99/62/1043529962.db2.gz NXELMPRKCKBJAH-UXHICEINSA-N 1 3 356.470 2.849 20 0 FFADHO CCCCOc1ncc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1C ZINC001238490859 1043741699 /nfs/dbraw/zinc/74/16/99/1043741699.db2.gz MLSIRIVLFSJNQA-VQTJNVASSA-N 1 3 360.546 2.779 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccc(F)c(F)c1)C2 ZINC001278281018 1043895639 /nfs/dbraw/zinc/89/56/39/1043895639.db2.gz CXPQGLTWIDHMCW-FQEVSTJZSA-N 1 3 351.485 2.857 20 0 FFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(CCc1ccc(F)c(F)c1)C2 ZINC001278281018 1043895654 /nfs/dbraw/zinc/89/56/54/1043895654.db2.gz CXPQGLTWIDHMCW-FQEVSTJZSA-N 1 3 351.485 2.857 20 0 FFADHO c1cn(CC[NH2+][C@@]23CC[C@@](NCc4ccc5n4CCC5)(C2)CCC3)cn1 ZINC001279911293 1043910642 /nfs/dbraw/zinc/91/06/42/1043910642.db2.gz GDOYSLQHBZCZSL-LEWJYISDSA-N 1 3 353.514 2.856 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)CN1Cc1ccccc1 ZINC001312252848 1044079082 /nfs/dbraw/zinc/07/90/82/1044079082.db2.gz ITKMZZYKIGFQDF-HKUYNNGSSA-N 1 3 360.546 2.879 20 0 FFADHO CN(C)CCN(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC001239307468 1044097594 /nfs/dbraw/zinc/09/75/94/1044097594.db2.gz CXRKLZWPVNVILW-HNNXBMFYSA-N 1 3 358.408 2.853 20 0 FFADHO S=C(NCCN1CCCCC1)NCC1(Cc2ccccc2)CC[NH2+]CC1 ZINC001239394892 1044111142 /nfs/dbraw/zinc/11/11/42/1044111142.db2.gz YOGNGSXTAZCQFV-UHFFFAOYSA-N 1 3 374.598 2.549 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC001312818375 1044176207 /nfs/dbraw/zinc/17/62/07/1044176207.db2.gz MGCLLXLAGQVADE-PCCBWWKXSA-N 1 3 372.557 2.833 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC001312818375 1044176213 /nfs/dbraw/zinc/17/62/13/1044176213.db2.gz MGCLLXLAGQVADE-PCCBWWKXSA-N 1 3 372.557 2.833 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001312995554 1044207250 /nfs/dbraw/zinc/20/72/50/1044207250.db2.gz WZUIYEHFABUMCR-FPOVZHCZSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001312995554 1044207260 /nfs/dbraw/zinc/20/72/60/1044207260.db2.gz WZUIYEHFABUMCR-FPOVZHCZSA-N 1 3 374.573 2.923 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c(CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001313451251 1044367118 /nfs/dbraw/zinc/36/71/18/1044367118.db2.gz UFGIUIZAXNWFLC-BZSNNMDCSA-N 1 3 362.566 2.634 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c(CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001313451251 1044367132 /nfs/dbraw/zinc/36/71/32/1044367132.db2.gz UFGIUIZAXNWFLC-BZSNNMDCSA-N 1 3 362.566 2.634 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313858642 1044431569 /nfs/dbraw/zinc/43/15/69/1044431569.db2.gz BPEPGANLXODNNV-BZSNNMDCSA-N 1 3 362.566 2.627 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313858447 1044432918 /nfs/dbraw/zinc/43/29/18/1044432918.db2.gz APLOEBVNLJGTKJ-JENIJYKNSA-N 1 3 362.566 2.626 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313858447 1044432919 /nfs/dbraw/zinc/43/29/19/1044432919.db2.gz APLOEBVNLJGTKJ-JENIJYKNSA-N 1 3 362.566 2.626 20 0 FFADHO CCC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)N(C)CCOC)CC2)CC1 ZINC001280262749 1044496731 /nfs/dbraw/zinc/49/67/31/1044496731.db2.gz QKSYHZJJNLPQIN-GOSISDBHSA-N 1 3 367.578 2.704 20 0 FFADHO CCOc1ccc(F)c(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)c1F ZINC001278353260 1044798859 /nfs/dbraw/zinc/79/88/59/1044798859.db2.gz WEKQEGXKBLZSRC-UHFFFAOYSA-N 1 3 367.484 2.823 20 0 FFADHO CN1C[C@H](C[NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CC1=O ZINC000639321994 1044811740 /nfs/dbraw/zinc/81/17/40/1044811740.db2.gz QTAJQQUQVVTVMY-UGKGYDQZSA-N 1 3 357.542 2.993 20 0 FFADHO CN1CCN(c2cccc(-c3ccc(CN4CC[C@@H]([NH3+])C4)cc3)c2)CC1 ZINC001243670784 1044991398 /nfs/dbraw/zinc/99/13/98/1044991398.db2.gz OOODJKGFHMOLRA-OAQYLSRUSA-N 1 3 350.510 2.638 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(CCOC2CCC2)[C@@H]1C)[NH+]1CCCCC1 ZINC001316799778 1045022670 /nfs/dbraw/zinc/02/26/70/1045022670.db2.gz IKMUWULPEMZMDY-HOJAQTOUSA-N 1 3 365.562 2.645 20 0 FFADHO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NCc1ccsc1 ZINC001317272104 1045074460 /nfs/dbraw/zinc/07/44/60/1045074460.db2.gz SIHKTIGOHJDACJ-LZQZEXGQSA-N 1 3 357.523 2.688 20 0 FFADHO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NCc1ccsc1 ZINC001317272104 1045074474 /nfs/dbraw/zinc/07/44/74/1045074474.db2.gz SIHKTIGOHJDACJ-LZQZEXGQSA-N 1 3 357.523 2.688 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccncc3)n2)[NH+]2CCCC2)o1 ZINC001320812030 1045473356 /nfs/dbraw/zinc/47/33/56/1045473356.db2.gz FVUHITQHVDFRDP-GOSISDBHSA-N 1 3 365.437 2.736 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325325724 1046469707 /nfs/dbraw/zinc/46/97/07/1046469707.db2.gz WOFHMKXVGJCXNU-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCCC[C@@H]3[NH3+])CC2)c1 ZINC001326688819 1047035791 /nfs/dbraw/zinc/03/57/91/1047035791.db2.gz YFMYYJLNUUUABO-SFTDATJTSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001288635660 1047489712 /nfs/dbraw/zinc/48/97/12/1047489712.db2.gz BFYCYNVURAKMRX-MRXNPFEDSA-N 1 3 374.577 2.949 20 0 FFADHO C[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001288635660 1047489713 /nfs/dbraw/zinc/48/97/13/1047489713.db2.gz BFYCYNVURAKMRX-MRXNPFEDSA-N 1 3 374.577 2.949 20 0 FFADHO Cn1cc(N2CC[C@H]([NH2+][C@H]3C[C@H]4C[C@@H](C3)N(Cc3ccccc3)C4)C2)cn1 ZINC001332365945 1048363945 /nfs/dbraw/zinc/36/39/45/1048363945.db2.gz SJKAUPHASQXDED-TUFLPTIASA-N 1 3 365.525 2.642 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@H]3C[C@H]4C[C@@H](C3)[N@H+](Cc3ccccc3)C4)C2)cn1 ZINC001332365945 1048363956 /nfs/dbraw/zinc/36/39/56/1048363956.db2.gz SJKAUPHASQXDED-TUFLPTIASA-N 1 3 365.525 2.642 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)cn1 ZINC001332365945 1048363965 /nfs/dbraw/zinc/36/39/65/1048363965.db2.gz SJKAUPHASQXDED-TUFLPTIASA-N 1 3 365.525 2.642 20 0 FFADHO CCCCOc1cccc(CNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001332424412 1048390087 /nfs/dbraw/zinc/39/00/87/1048390087.db2.gz NKDLQKTUPFKJAC-UHFFFAOYSA-N 1 3 373.541 2.947 20 0 FFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001290866976 1048457911 /nfs/dbraw/zinc/45/79/11/1048457911.db2.gz FSICFWNSMUSGNI-KRWDZBQOSA-N 1 3 353.576 2.586 20 0 FFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001290866976 1048457915 /nfs/dbraw/zinc/45/79/15/1048457915.db2.gz FSICFWNSMUSGNI-KRWDZBQOSA-N 1 3 353.576 2.586 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)n1Cc1ccco1 ZINC001328779208 1048462686 /nfs/dbraw/zinc/46/26/86/1048462686.db2.gz MEBPMKFSHBIKBR-INIZCTEOSA-N 1 3 374.529 2.748 20 0 FFADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)n1Cc1ccco1 ZINC001328779208 1048462693 /nfs/dbraw/zinc/46/26/93/1048462693.db2.gz MEBPMKFSHBIKBR-INIZCTEOSA-N 1 3 374.529 2.748 20 0 FFADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CCCc4ncccc43)c2)CC1 ZINC001330355130 1049143156 /nfs/dbraw/zinc/14/31/56/1049143156.db2.gz YXIWQKJTOPLTMF-QFIPXVFZSA-N 1 3 350.510 2.996 20 0 FFADHO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc3c(s2)CNCC3)cc1 ZINC001341694672 1050316123 /nfs/dbraw/zinc/31/61/23/1050316123.db2.gz BLIUUSGBTFAKJY-UHFFFAOYSA-N 1 3 373.522 2.654 20 0 FFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc4c(s3)CNCC4)cc2)CC1 ZINC001340112074 1050517614 /nfs/dbraw/zinc/51/76/14/1050517614.db2.gz LLWZKELXIJAPRL-UHFFFAOYSA-N 1 3 370.522 2.788 20 0 FFADHO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc4c(s3)CNCC4)cc2)CC1 ZINC001340112074 1050517622 /nfs/dbraw/zinc/51/76/22/1050517622.db2.gz LLWZKELXIJAPRL-UHFFFAOYSA-N 1 3 370.522 2.788 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3C[C@@H]3C3CCCC3)CC2)CC1 ZINC001340629579 1051007035 /nfs/dbraw/zinc/00/70/35/1051007035.db2.gz IQZWNZCHVDSZDY-FXAWDEMLSA-N 1 3 362.562 2.671 20 0 FFADHO Cc1nnc(N2CCN(CC(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001304861122 1051744755 /nfs/dbraw/zinc/74/47/55/1051744755.db2.gz WUZWPFSSUYATEC-UHFFFAOYSA-N 1 3 362.566 2.629 20 0 FFADHO Cc1nnc(N2CCN(CC(C)C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001304861122 1051744765 /nfs/dbraw/zinc/74/47/65/1051744765.db2.gz WUZWPFSSUYATEC-UHFFFAOYSA-N 1 3 362.566 2.629 20 0 FFADHO CC[C@H](C)[N@H+](C)CCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305613107 1051928198 /nfs/dbraw/zinc/92/81/98/1051928198.db2.gz HFSAIXRTNXORSZ-KRWDZBQOSA-N 1 3 374.577 2.950 20 0 FFADHO CC[C@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305613107 1051928215 /nfs/dbraw/zinc/92/82/15/1051928215.db2.gz HFSAIXRTNXORSZ-KRWDZBQOSA-N 1 3 374.577 2.950 20 0 FFADHO C[C@H]1[C@H](OC(=O)COC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC001344854867 1052068387 /nfs/dbraw/zinc/06/83/87/1052068387.db2.gz GDLRHUKXEFWZQU-FXAWDEMLSA-N 1 3 360.498 2.694 20 0 FFADHO CC[C@H](C)C[C@@H](N)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001344890727 1052104459 /nfs/dbraw/zinc/10/44/59/1052104459.db2.gz PUNIAKYTJSJKFE-PKOBYXMFSA-N 1 3 361.530 2.547 20 0 FFADHO CC[C@H](C)C[C@@H](N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001344890727 1052104465 /nfs/dbraw/zinc/10/44/65/1052104465.db2.gz PUNIAKYTJSJKFE-PKOBYXMFSA-N 1 3 361.530 2.547 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001343438624 1052232803 /nfs/dbraw/zinc/23/28/03/1052232803.db2.gz GJVVTXSJEUUEAO-FQEVSTJZSA-N 1 3 365.477 2.515 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001343438624 1052232812 /nfs/dbraw/zinc/23/28/12/1052232812.db2.gz GJVVTXSJEUUEAO-FQEVSTJZSA-N 1 3 365.477 2.515 20 0 FFADHO Cn1cc(N2CC[C@@H](N[C@@H](CCCC[NH3+])c3ccc(F)cc3F)C2)cn1 ZINC001345097170 1052255417 /nfs/dbraw/zinc/25/54/17/1052255417.db2.gz HPNGUGVAJCNAFE-BEFAXECRSA-N 1 3 363.456 2.737 20 0 FFADHO [NH3+][C@H]1CC2(CCN(C(=O)c3cccc4c3CNC4)CC2)Oc2ccccc21 ZINC001345129715 1052277412 /nfs/dbraw/zinc/27/74/12/1052277412.db2.gz INDRIYJDDCPYLO-IBGZPJMESA-N 1 3 363.461 2.747 20 0 FFADHO CN(Cc1cncc(Cl)c1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001308742677 1052493663 /nfs/dbraw/zinc/49/36/63/1052493663.db2.gz KTTTWGXAHKNUPF-OAHLLOKOSA-N 1 3 357.329 2.989 20 0 FFADHO O[C@@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1cccc(C(F)(F)F)c1 ZINC001335470607 1053385175 /nfs/dbraw/zinc/38/51/75/1053385175.db2.gz VVOMWOJXBJQWAM-XHSDSOJGSA-N 1 3 358.404 2.662 20 0 FFADHO C[C@@H](OC[C@@H](O)C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)c1ccc(Cl)cc1 ZINC001336052206 1053733787 /nfs/dbraw/zinc/73/37/87/1053733787.db2.gz XPCLJTDKPYXPFQ-OAOYMFHYSA-N 1 3 352.906 2.995 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])N(C)C)cc1 ZINC001336101690 1053769345 /nfs/dbraw/zinc/76/93/45/1053769345.db2.gz WAVYEVQGHIRORH-SLYNCCJLSA-N 1 3 374.529 2.599 20 0 FFADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)C12CCOCC2 ZINC001336255191 1053873223 /nfs/dbraw/zinc/87/32/23/1053873223.db2.gz ZEHHRFHJJUJRMY-SJORKVTESA-N 1 3 367.534 2.524 20 0 FFADHO CC[NH+](CC)CC[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2N)c1ccccc1 ZINC001356500079 1055538884 /nfs/dbraw/zinc/53/88/84/1055538884.db2.gz YDMRYRHDRUEUGD-MSOLQXFVSA-N 1 3 369.513 2.880 20 0 FFADHO [NH2+]=C(NCCOc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849053813 1055601678 /nfs/dbraw/zinc/60/16/78/1055601678.db2.gz JWNSKYVXTPRWRA-UHFFFAOYSA-N 1 3 352.482 2.844 20 0 FFADHO CN1CCN(Cc2ccc(CNC(=[NH2+])Nc3cc(F)ccc3F)cc2)CC1 ZINC000849079522 1055631061 /nfs/dbraw/zinc/63/10/61/1055631061.db2.gz SAFOVBQGQCWPJA-UHFFFAOYSA-N 1 3 373.451 2.849 20 0 FFADHO [NH2+]=C(NCC1(CCO)CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849096561 1055639335 /nfs/dbraw/zinc/63/93/35/1055639335.db2.gz UUYFIHRAMSJRRI-UHFFFAOYSA-N 1 3 358.530 2.708 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(N)ccn1)c1cccc(OC)c1 ZINC001350186333 1055663647 /nfs/dbraw/zinc/66/36/47/1055663647.db2.gz FHLWUXXYBHQWAC-IBGZPJMESA-N 1 3 371.485 2.555 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3n[nH]c(C4CC4)c3C)CC2)CC1 ZINC000847435389 1055772214 /nfs/dbraw/zinc/77/22/14/1055772214.db2.gz ZPQIFZVPOYSJAC-UHFFFAOYSA-N 1 3 359.518 2.730 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001357518329 1055931291 /nfs/dbraw/zinc/93/12/91/1055931291.db2.gz VCTNXOVLFNIEKV-GOEBONIOSA-N 1 3 369.431 2.555 20 0 FFADHO O=C(Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1)C1(NC2CC2)CCC1 ZINC001358068436 1056127704 /nfs/dbraw/zinc/12/77/04/1056127704.db2.gz DCTQIQYQKSEWEO-UHFFFAOYSA-N 1 3 353.470 2.643 20 0 FFADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC001353337494 1056308670 /nfs/dbraw/zinc/30/86/70/1056308670.db2.gz BBIYGRGXFNHTRA-GDBMZVCRSA-N 1 3 371.319 2.510 20 0 FFADHO C[C@H]1CN(C(=O)NCCCCCC2CC[NH2+]CC2)CCN(C2CC2)C1 ZINC001353466496 1056428765 /nfs/dbraw/zinc/42/87/65/1056428765.db2.gz GZICMXDITHSKSK-QGZVFWFLSA-N 1 3 350.551 2.672 20 0 FFADHO O=C(c1ccc2c(c1)OCCNC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001353534873 1056508381 /nfs/dbraw/zinc/50/83/81/1056508381.db2.gz KTQKCUSFVDFLML-SFHVURJKSA-N 1 3 371.525 2.897 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001513031330 1058172720 /nfs/dbraw/zinc/17/27/20/1058172720.db2.gz GPOJHQNHGMUFBB-SJORKVTESA-N 1 3 362.566 2.806 20 0 FFADHO Cc1ncsc1CN1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500498091 1058507130 /nfs/dbraw/zinc/50/71/30/1058507130.db2.gz DVVSDZSZKRGCRJ-MDZRGWNJSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1ncsc1CN1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500498091 1058507145 /nfs/dbraw/zinc/50/71/45/1058507145.db2.gz DVVSDZSZKRGCRJ-MDZRGWNJSA-N 1 3 364.559 2.510 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001514971891 1059176163 /nfs/dbraw/zinc/17/61/63/1059176163.db2.gz IATWNCBHMIBMSJ-IBGZPJMESA-N 1 3 360.550 2.526 20 0 FFADHO CCC[N@H+]1CCC[C@H]1Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC001514971891 1059176168 /nfs/dbraw/zinc/17/61/68/1059176168.db2.gz IATWNCBHMIBMSJ-IBGZPJMESA-N 1 3 360.550 2.526 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)Cc1ccc2ncccc2c1 ZINC001505922543 1059417663 /nfs/dbraw/zinc/41/76/63/1059417663.db2.gz PMMHLGWJJCFWQP-FRQCXROJSA-N 1 3 354.498 2.512 20 0 FFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)Cc1ccc2ncccc2c1 ZINC001505922543 1059417670 /nfs/dbraw/zinc/41/76/70/1059417670.db2.gz PMMHLGWJJCFWQP-FRQCXROJSA-N 1 3 354.498 2.512 20 0 FFADHO CCC[NH+]1CCC(Cn2c(C)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)CC1 ZINC001547167883 1071927684 /nfs/dbraw/zinc/92/76/84/1071927684.db2.gz FQHGLVMZAADBAH-IAGOWNOFSA-N 1 3 362.566 2.627 20 0 FFADHO C[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C(C)(C)C1 ZINC001456175745 1060034981 /nfs/dbraw/zinc/03/49/81/1060034981.db2.gz LCCOWQTZSJVJTL-IAGOWNOFSA-N 1 3 365.468 2.600 20 0 FFADHO C[N@H+]1C[C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C(C)(C)C1 ZINC001456175745 1060034998 /nfs/dbraw/zinc/03/49/98/1060034998.db2.gz LCCOWQTZSJVJTL-IAGOWNOFSA-N 1 3 365.468 2.600 20 0 FFADHO CCN1C[C@@H](NC(=O)C2(c3ccccc3)CC[NH+](CC)CC2)C(C)(C)C1 ZINC001456230354 1060056937 /nfs/dbraw/zinc/05/69/37/1060056937.db2.gz NJQGYQPLJARBMV-LJQANCHMSA-N 1 3 357.542 2.887 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001547636363 1071979281 /nfs/dbraw/zinc/97/92/81/1071979281.db2.gz UTARVEWKDNCPEK-SOLBZPMBSA-N 1 3 362.566 2.661 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC001521445025 1060596436 /nfs/dbraw/zinc/59/64/36/1060596436.db2.gz CYPLRLGALHWZAK-GUDVDZBRSA-N 1 3 365.562 2.552 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)C[C@H](C)O1 ZINC001521445024 1060597193 /nfs/dbraw/zinc/59/71/93/1060597193.db2.gz CYPLRLGALHWZAK-CEXWTWQISA-N 1 3 365.562 2.552 20 0 FFADHO CC(C)C[C@H]([NH3+])CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001521488151 1060616235 /nfs/dbraw/zinc/61/62/35/1060616235.db2.gz DEJWRNFRMYGLAZ-KRWDZBQOSA-N 1 3 365.493 2.549 20 0 FFADHO C[NH+](C)Cc1ccc(CN2C[C@H]3COC[C@]3(C)C2)c2c1OC(F)(F)O2 ZINC001462439294 1061625071 /nfs/dbraw/zinc/62/50/71/1061625071.db2.gz ODPPGHYZKZJLIE-YOEHRIQHSA-N 1 3 354.397 2.538 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H]1C)N1CCc2ccccc2C1 ZINC001477291280 1061656642 /nfs/dbraw/zinc/65/66/42/1061656642.db2.gz JRXMNJTUJYLAAU-YLJYHZDGSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@H](CNC(=O)NCC[N@H+]1CCC[C@H]1C)N1CCc2ccccc2C1 ZINC001477291280 1061656650 /nfs/dbraw/zinc/65/66/50/1061656650.db2.gz JRXMNJTUJYLAAU-YLJYHZDGSA-N 1 3 358.530 2.607 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCCC[N@@H+](C)C3CC3)C2)cc1 ZINC001478778902 1062111656 /nfs/dbraw/zinc/11/16/56/1062111656.db2.gz OWKQJFOMTRCHMD-IBGZPJMESA-N 1 3 358.530 2.743 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCCC[N@H+](C)C3CC3)C2)cc1 ZINC001478778902 1062111666 /nfs/dbraw/zinc/11/16/66/1062111666.db2.gz OWKQJFOMTRCHMD-IBGZPJMESA-N 1 3 358.530 2.743 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CCCCC1 ZINC001479101527 1062224981 /nfs/dbraw/zinc/22/49/81/1062224981.db2.gz FIFVVBTYIBKIFE-UYAOXDASSA-N 1 3 358.530 2.540 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCN1CCCCC1 ZINC001479101527 1062224994 /nfs/dbraw/zinc/22/49/94/1062224994.db2.gz FIFVVBTYIBKIFE-UYAOXDASSA-N 1 3 358.530 2.540 20 0 FFADHO Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001479476872 1062455079 /nfs/dbraw/zinc/45/50/79/1062455079.db2.gz YEUUMNWTLVXSOV-PKOBYXMFSA-N 1 3 360.546 2.742 20 0 FFADHO C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNCC=C(Cl)Cl)C1 ZINC001479573121 1062565087 /nfs/dbraw/zinc/56/50/87/1062565087.db2.gz PMODQYPSBWXVKO-KGLIPLIRSA-N 1 3 362.345 2.864 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC1 ZINC001465491184 1063115563 /nfs/dbraw/zinc/11/55/63/1063115563.db2.gz LQHRVSHLVDOSAQ-UHFFFAOYSA-N 1 3 373.541 2.950 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(F)cc1F ZINC001496561093 1063625174 /nfs/dbraw/zinc/62/51/74/1063625174.db2.gz IBZBFHMTUJOYCJ-MZMPZRCHSA-N 1 3 353.457 2.535 20 0 FFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(F)cc1F ZINC001496561093 1063625176 /nfs/dbraw/zinc/62/51/76/1063625176.db2.gz IBZBFHMTUJOYCJ-MZMPZRCHSA-N 1 3 353.457 2.535 20 0 FFADHO C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCC1(C)C ZINC001468004382 1063904059 /nfs/dbraw/zinc/90/40/59/1063904059.db2.gz KNTVHDDJYUZPNE-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCC1(C)C ZINC001468004382 1063904071 /nfs/dbraw/zinc/90/40/71/1063904071.db2.gz KNTVHDDJYUZPNE-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001471108532 1064561982 /nfs/dbraw/zinc/56/19/82/1064561982.db2.gz DLOZQQXPALHMII-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001471108532 1064561992 /nfs/dbraw/zinc/56/19/92/1064561992.db2.gz DLOZQQXPALHMII-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)C1 ZINC001575141282 1078110596 /nfs/dbraw/zinc/11/05/96/1078110596.db2.gz WNBADMRVDHDTJD-YJYMSZOUSA-N 1 3 351.441 2.502 20 0 FFADHO CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)[C@@H]1C ZINC001473403050 1065256949 /nfs/dbraw/zinc/25/69/49/1065256949.db2.gz PHLVIBDMSVFRTN-MSOLQXFVSA-N 1 3 358.530 2.887 20 0 FFADHO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)[C@@H]1C ZINC001473403050 1065256951 /nfs/dbraw/zinc/25/69/51/1065256951.db2.gz PHLVIBDMSVFRTN-MSOLQXFVSA-N 1 3 358.530 2.887 20 0 FFADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001576095232 1078195266 /nfs/dbraw/zinc/19/52/66/1078195266.db2.gz CQRAXYDZNQAQPI-MSOLQXFVSA-N 1 3 358.530 2.952 20 0 FFADHO C[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC001576827098 1078278340 /nfs/dbraw/zinc/27/83/40/1078278340.db2.gz OLYKMMLVSPWTJZ-AEFFLSMTSA-N 1 3 370.545 2.677 20 0 FFADHO C[C@H]1NCCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC001576893440 1078284514 /nfs/dbraw/zinc/28/45/14/1078284514.db2.gz JWSLLRVYQKNXMC-MSOLQXFVSA-N 1 3 358.530 2.681 20 0 FFADHO CC[C@@H]([NH3+])Cn1c(-c2ccccc2C)nnc1N1CCN(CC2CC2)CC1 ZINC001577130941 1078307538 /nfs/dbraw/zinc/30/75/38/1078307538.db2.gz AOSIFWMMYRMZEY-GOSISDBHSA-N 1 3 368.529 2.523 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001580377706 1078794102 /nfs/dbraw/zinc/79/41/02/1078794102.db2.gz RZQVGSLKTCRSDL-VQTJNVASSA-N 1 3 351.494 2.999 20 0 FFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1 ZINC001549523011 1073897479 /nfs/dbraw/zinc/89/74/79/1073897479.db2.gz JFFBTFASCAQTQF-RTBURBONSA-N 1 3 356.445 2.846 20 0 FFADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC001550348509 1074222686 /nfs/dbraw/zinc/22/26/86/1074222686.db2.gz ABFDXPJROXCTMH-GEALJGNFSA-N 1 3 369.513 2.833 20 0 FFADHO C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001550476626 1074291258 /nfs/dbraw/zinc/29/12/58/1074291258.db2.gz AQDPEMBECZKNLM-BLLLJJGKSA-N 1 3 366.893 2.542 20 0 FFADHO O=C1CC[C@H](NCc2c(Cl)ccc3cccnc32)[C@H](C2CC[NH2+]CC2)N1 ZINC001550914542 1074529790 /nfs/dbraw/zinc/52/97/90/1074529790.db2.gz VSHKMQTXFHBWEX-PXNSSMCTSA-N 1 3 372.900 2.625 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC001551237369 1074658109 /nfs/dbraw/zinc/65/81/09/1074658109.db2.gz GNEKFLOHKLNBMI-UHFFFAOYSA-N 1 3 354.498 2.995 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001551238387 1074658851 /nfs/dbraw/zinc/65/88/51/1074658851.db2.gz PJRIFHKRWNHDGZ-PWUWZPNHSA-N 1 3 350.425 2.719 20 0 FFADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cccc(-n2ccnn2)c1 ZINC001551398453 1074716592 /nfs/dbraw/zinc/71/65/92/1074716592.db2.gz DVYOYBJNJABVFW-OCDPCBSRSA-N 1 3 369.513 2.951 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001552625284 1075113438 /nfs/dbraw/zinc/11/34/38/1075113438.db2.gz FTPFIPZZSGOPDJ-MJGOQNOKSA-N 1 3 368.481 2.634 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553412269 1075302672 /nfs/dbraw/zinc/30/26/72/1075302672.db2.gz CXDOPEFCDZVULG-VAMGGRTRSA-N 1 3 356.514 2.607 20 0 FFADHO CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001556098201 1075700093 /nfs/dbraw/zinc/70/00/93/1075700093.db2.gz JEXIAAILHVNUMV-GHTZIAJQSA-N 1 3 357.542 2.991 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@@H]2CCCCN2C2CCCC2)C[C@@H]1[NH+]1CCCC1 ZINC001556103929 1075700973 /nfs/dbraw/zinc/70/09/73/1075700973.db2.gz GQIWOESCWJIKSS-GBESFXJTSA-N 1 3 365.587 2.822 20 0 FFADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC001560396277 1076270576 /nfs/dbraw/zinc/27/05/76/1076270576.db2.gz UNSJZTVPNURZAA-RTBURBONSA-N 1 3 360.527 2.791 20 0 FFADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cc(-n3ccnc3)cs2)CC1 ZINC001560396277 1076270581 /nfs/dbraw/zinc/27/05/81/1076270581.db2.gz UNSJZTVPNURZAA-RTBURBONSA-N 1 3 360.527 2.791 20 0 FFADHO Cc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc(C)n1 ZINC001560683247 1076291129 /nfs/dbraw/zinc/29/11/29/1076291129.db2.gz QZAPVZATRKSHAA-UHFFFAOYSA-N 1 3 360.546 2.614 20 0 FFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001565226180 1076700131 /nfs/dbraw/zinc/70/01/31/1076700131.db2.gz HHWVAQNSZVEOGO-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001565226180 1076700134 /nfs/dbraw/zinc/70/01/34/1076700134.db2.gz HHWVAQNSZVEOGO-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001565435117 1076729860 /nfs/dbraw/zinc/72/98/60/1076729860.db2.gz WDICVEQPABXNLN-IRXDYDNUSA-N 1 3 352.910 2.726 20 0 FFADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC001565435117 1076729863 /nfs/dbraw/zinc/72/98/63/1076729863.db2.gz WDICVEQPABXNLN-IRXDYDNUSA-N 1 3 352.910 2.726 20 0 FFADHO Cc1ccc(F)c(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCC2)c1 ZINC001568235898 1077079802 /nfs/dbraw/zinc/07/98/02/1077079802.db2.gz WRAWAZQEXNKSGG-SJLPKXTDSA-N 1 3 361.505 2.993 20 0 FFADHO Cc1ccc(F)c(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCC2)c1 ZINC001568235898 1077079806 /nfs/dbraw/zinc/07/98/06/1077079806.db2.gz WRAWAZQEXNKSGG-SJLPKXTDSA-N 1 3 361.505 2.993 20 0 FFADHO CC(C)C[C@H](CNCC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568329405 1077087666 /nfs/dbraw/zinc/08/76/66/1077087666.db2.gz XMWDLOWMDNZXLR-MGPQQGTHSA-N 1 3 350.334 2.766 20 0 FFADHO CC(C)C[C@H](CNCC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568329405 1077087670 /nfs/dbraw/zinc/08/76/70/1077087670.db2.gz XMWDLOWMDNZXLR-MGPQQGTHSA-N 1 3 350.334 2.766 20 0 FFADHO C[C@H](CNCc1ccccc1F)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001569018713 1077124033 /nfs/dbraw/zinc/12/40/33/1077124033.db2.gz RSLHBJPTRWGPJY-AHRSYUTCSA-N 1 3 369.484 2.765 20 0 FFADHO C[C@H](CNCc1ccccc1F)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001569018713 1077124039 /nfs/dbraw/zinc/12/40/39/1077124039.db2.gz RSLHBJPTRWGPJY-AHRSYUTCSA-N 1 3 369.484 2.765 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2ccc(F)cc2Cl)C2CC2)CC[N@@H+]1C ZINC001569303808 1077137180 /nfs/dbraw/zinc/13/71/80/1077137180.db2.gz XEOBDOXOOYIKPH-XHBKTUGNSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2ccc(F)cc2Cl)C2CC2)CC[N@H+]1C ZINC001569303808 1077137181 /nfs/dbraw/zinc/13/71/81/1077137181.db2.gz XEOBDOXOOYIKPH-XHBKTUGNSA-N 1 3 367.896 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001571256802 1077245460 /nfs/dbraw/zinc/24/54/60/1077245460.db2.gz CHTUVIHQYZZXMG-HYVNUMGLSA-N 1 3 366.937 2.840 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2cccc(Cl)n2)CC[N@H+]1C ZINC001571256802 1077245464 /nfs/dbraw/zinc/24/54/64/1077245464.db2.gz CHTUVIHQYZZXMG-HYVNUMGLSA-N 1 3 366.937 2.840 20 0 FFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CCCN1 ZINC000423408369 514133007 /nfs/dbraw/zinc/13/30/07/514133007.db2.gz AEZZEMYOILMENB-WBMJQRKESA-N 1 3 359.283 2.877 20 0 FFADHO CN(c1ccccc1CN1CC[C@H]([NH+]2CCCC2)C1)C1CCN(C)CC1 ZINC000092756882 250001229 /nfs/dbraw/zinc/00/12/29/250001229.db2.gz WZBDHAOVEAQFOQ-NRFANRHFSA-N 1 3 356.558 2.887 20 0 FFADHO Cn1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(-c2cccnc2)n1 ZINC000093734994 250041051 /nfs/dbraw/zinc/04/10/51/250041051.db2.gz GLLDNSQXJIKGLS-UHFFFAOYSA-N 1 3 369.513 2.559 20 0 FFADHO CS[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000117487636 250349909 /nfs/dbraw/zinc/34/99/09/250349909.db2.gz NALHJAFJSICVNP-FUHWJXTLSA-N 1 3 368.591 2.518 20 0 FFADHO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131654744 251006616 /nfs/dbraw/zinc/00/66/16/251006616.db2.gz OSGOKGWKUKCINK-HLIPFELVSA-N 1 3 362.562 2.908 20 0 FFADHO CC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000152967924 251086305 /nfs/dbraw/zinc/08/63/05/251086305.db2.gz QBUKYZLXOJDIFK-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173561237 251207317 /nfs/dbraw/zinc/20/73/17/251207317.db2.gz XTEUUNHLDZGICO-FQEVSTJZSA-N 1 3 356.514 2.684 20 0 FFADHO C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000264606683 251321802 /nfs/dbraw/zinc/32/18/02/251321802.db2.gz GOITVECZZUDSOH-AEFFLSMTSA-N 1 3 369.431 2.509 20 0 FFADHO C[N@H+]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000264606683 251321807 /nfs/dbraw/zinc/32/18/07/251321807.db2.gz GOITVECZZUDSOH-AEFFLSMTSA-N 1 3 369.431 2.509 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000267406941 251348188 /nfs/dbraw/zinc/34/81/88/251348188.db2.gz NZSCDSLZGNCFDR-GIVPXCGWSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000267406941 251348191 /nfs/dbraw/zinc/34/81/91/251348191.db2.gz NZSCDSLZGNCFDR-GIVPXCGWSA-N 1 3 372.557 2.880 20 0 FFADHO CC[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)N(CC)CC ZINC000268788159 251383606 /nfs/dbraw/zinc/38/36/06/251383606.db2.gz WEEDBVGEXHHSJD-GOSISDBHSA-N 1 3 361.534 2.671 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272443241 252038769 /nfs/dbraw/zinc/03/87/69/252038769.db2.gz FCCGQOWRBDPYTQ-TYPHKJRUSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272443241 252038772 /nfs/dbraw/zinc/03/87/72/252038772.db2.gz FCCGQOWRBDPYTQ-TYPHKJRUSA-N 1 3 368.525 2.553 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272688944 252101782 /nfs/dbraw/zinc/10/17/82/252101782.db2.gz CABXEJHOWLRHBO-AZUAARDMSA-N 1 3 370.541 2.501 20 0 FFADHO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272688944 252101786 /nfs/dbraw/zinc/10/17/86/252101786.db2.gz CABXEJHOWLRHBO-AZUAARDMSA-N 1 3 370.541 2.501 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000273069219 252207617 /nfs/dbraw/zinc/20/76/17/252207617.db2.gz ZGDIUEPMSDCMJT-RTBURBONSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273069219 252207619 /nfs/dbraw/zinc/20/76/19/252207619.db2.gz ZGDIUEPMSDCMJT-RTBURBONSA-N 1 3 370.541 2.943 20 0 FFADHO Cc1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c(OCCN(C)C)c1 ZINC000276632374 256116514 /nfs/dbraw/zinc/11/65/14/256116514.db2.gz NSGZEBJURIZNMW-UHFFFAOYSA-N 1 3 367.493 2.876 20 0 FFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000278350401 256302867 /nfs/dbraw/zinc/30/28/67/256302867.db2.gz ATJVGQDGZGQQBW-IAGOWNOFSA-N 1 3 361.486 2.795 20 0 FFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000278350401 256302868 /nfs/dbraw/zinc/30/28/68/256302868.db2.gz ATJVGQDGZGQQBW-IAGOWNOFSA-N 1 3 361.486 2.795 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@](C)(N)c3ccccc3)cc2)CC1 ZINC000278295689 256296251 /nfs/dbraw/zinc/29/62/51/256296251.db2.gz RIAQXYLHPNFUSN-JOCHJYFZSA-N 1 3 366.509 2.637 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000286148033 257022722 /nfs/dbraw/zinc/02/27/22/257022722.db2.gz PUZDSKBAEJXCQE-HNNXBMFYSA-N 1 3 371.447 2.985 20 0 FFADHO CN1CCN(C)[C@H](CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000286176530 257024088 /nfs/dbraw/zinc/02/40/88/257024088.db2.gz QRFXGNQLQDRRRE-SSGKUCQKSA-N 1 3 370.585 2.513 20 0 FFADHO CN1CCN(C)[C@H](CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000286176530 257024089 /nfs/dbraw/zinc/02/40/89/257024089.db2.gz QRFXGNQLQDRRRE-SSGKUCQKSA-N 1 3 370.585 2.513 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000287220632 257077985 /nfs/dbraw/zinc/07/79/85/257077985.db2.gz NCHAIRRJSHBLIB-XNMUZJSGSA-N 1 3 358.530 2.864 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000287220632 257077986 /nfs/dbraw/zinc/07/79/86/257077986.db2.gz NCHAIRRJSHBLIB-XNMUZJSGSA-N 1 3 358.530 2.864 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000287831373 257118916 /nfs/dbraw/zinc/11/89/16/257118916.db2.gz CWRHQVKFMSUXIQ-AQDPXUSMSA-N 1 3 374.529 2.612 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000287831373 257118917 /nfs/dbraw/zinc/11/89/17/257118917.db2.gz CWRHQVKFMSUXIQ-AQDPXUSMSA-N 1 3 374.529 2.612 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000287870778 257123583 /nfs/dbraw/zinc/12/35/83/257123583.db2.gz ARZBSHPDSPFWAW-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287346374 257084371 /nfs/dbraw/zinc/08/43/71/257084371.db2.gz ZASWBHXRJYIZHM-GURQWTFNSA-N 1 3 356.514 2.528 20 0 FFADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287346374 257084372 /nfs/dbraw/zinc/08/43/72/257084372.db2.gz ZASWBHXRJYIZHM-GURQWTFNSA-N 1 3 356.514 2.528 20 0 FFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289765803 257297917 /nfs/dbraw/zinc/29/79/17/257297917.db2.gz RCYYCJHPWMRGML-OALUTQOASA-N 1 3 356.466 2.814 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289787122 257299359 /nfs/dbraw/zinc/29/93/59/257299359.db2.gz LQHBMFCJGUIYCI-BHIYHBOVSA-N 1 3 358.482 2.775 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000289787122 257299360 /nfs/dbraw/zinc/29/93/60/257299360.db2.gz LQHBMFCJGUIYCI-BHIYHBOVSA-N 1 3 358.482 2.775 20 0 FFADHO COc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1C ZINC000289789215 257299440 /nfs/dbraw/zinc/29/94/40/257299440.db2.gz LVOAIJUJBJONIZ-UHFFFAOYSA-N 1 3 373.541 2.818 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000311382031 258115400 /nfs/dbraw/zinc/11/54/00/258115400.db2.gz BJYRGVVVEZDQIL-FUHWJXTLSA-N 1 3 373.522 2.507 20 0 FFADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000311837575 258115524 /nfs/dbraw/zinc/11/55/24/258115524.db2.gz QBHGHAHBZVVXDC-WIYBCGNWSA-N 1 3 356.510 2.825 20 0 FFADHO C[C@H](CCS(C)(=O)=O)[NH2+]C1CCC(N(C)Cc2ccccc2)CC1 ZINC000366681700 512137057 /nfs/dbraw/zinc/13/70/57/512137057.db2.gz WBRTYGYCONBNIE-IPJUCJBFSA-N 1 3 352.544 2.842 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000370944964 512146588 /nfs/dbraw/zinc/14/65/88/512146588.db2.gz PYWSMVMMNVVPSY-LJQANCHMSA-N 1 3 367.493 2.634 20 0 FFADHO C[C@H](NCC1CC[NH+](CCO)CC1)c1ccc(F)cc1Br ZINC000151818182 509089240 /nfs/dbraw/zinc/08/92/40/509089240.db2.gz XDWQDYDJUIXTFF-LBPRGKRZSA-N 1 3 359.283 2.943 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187123321 510071289 /nfs/dbraw/zinc/07/12/89/510071289.db2.gz JWXCNICINVXQSJ-AWEZNQCLSA-N 1 3 370.335 2.573 20 0 FFADHO C[C@@H](NC(=O)N1CCCC12CC[NH+](C)CC2)[C@@H](c1ccccc1)N(C)C ZINC000377259718 512190058 /nfs/dbraw/zinc/19/00/58/512190058.db2.gz MSYHJHSJRMMVCT-MJGOQNOKSA-N 1 3 358.530 2.948 20 0 FFADHO COc1cccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000371158207 512247953 /nfs/dbraw/zinc/24/79/53/512247953.db2.gz QYPHGJLDDPWBFY-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000367022834 512300913 /nfs/dbraw/zinc/30/09/13/512300913.db2.gz JNLORCJOXUPPBA-UYAOXDASSA-N 1 3 350.595 2.645 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000045409880 506962314 /nfs/dbraw/zinc/96/23/14/506962314.db2.gz SYYWMJKMDNHCQO-UHFFFAOYSA-N 1 3 370.541 2.839 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000045757355 507014766 /nfs/dbraw/zinc/01/47/66/507014766.db2.gz HWSCOSNQTUROIQ-GOSISDBHSA-N 1 3 372.557 2.991 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000377553506 512323836 /nfs/dbraw/zinc/32/38/36/512323836.db2.gz IBOKAHSDSGKZRW-RLLQIKCJSA-N 1 3 359.514 2.849 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)C1 ZINC000047885502 507407147 /nfs/dbraw/zinc/40/71/47/507407147.db2.gz JNJIVCXEJJZNJD-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCN(C)CC2)C1 ZINC000047885502 507407155 /nfs/dbraw/zinc/40/71/55/507407155.db2.gz JNJIVCXEJJZNJD-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO Cc1cnn(CCCCC[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000371342704 512343865 /nfs/dbraw/zinc/34/38/65/512343865.db2.gz YXFFWIIVVBOWHE-UHFFFAOYSA-N 1 3 361.578 2.852 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000069774301 507557672 /nfs/dbraw/zinc/55/76/72/507557672.db2.gz RITXSRDIZPMTGF-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000069774301 507557675 /nfs/dbraw/zinc/55/76/75/507557675.db2.gz RITXSRDIZPMTGF-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCCC12CC[NH+](C)CC2 ZINC000375476079 512350642 /nfs/dbraw/zinc/35/06/42/512350642.db2.gz ZGIMMONTWVGTOP-UHFFFAOYSA-N 1 3 362.518 2.512 20 0 FFADHO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000375476079 512350647 /nfs/dbraw/zinc/35/06/47/512350647.db2.gz ZGIMMONTWVGTOP-UHFFFAOYSA-N 1 3 362.518 2.512 20 0 FFADHO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCCC12CCN(C)CC2 ZINC000375476079 512350652 /nfs/dbraw/zinc/35/06/52/512350652.db2.gz ZGIMMONTWVGTOP-UHFFFAOYSA-N 1 3 362.518 2.512 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cc(F)ccc3F)CC2)CC1 ZINC000050797103 507713338 /nfs/dbraw/zinc/71/33/38/507713338.db2.gz VGUSHFBIAKQHLI-UHFFFAOYSA-N 1 3 365.468 2.572 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4ncsc4c3)CC2)CC1 ZINC000050802004 507715276 /nfs/dbraw/zinc/71/52/76/507715276.db2.gz SJYCGBNGRRJQPP-UHFFFAOYSA-N 1 3 358.511 2.585 20 0 FFADHO CCc1ccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759827 507783306 /nfs/dbraw/zinc/78/33/06/507783306.db2.gz UTDGAPBLFPHNEV-UHFFFAOYSA-N 1 3 372.557 2.949 20 0 FFADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCc2ccccc21 ZINC000051758899 507783547 /nfs/dbraw/zinc/78/35/47/507783547.db2.gz BGSPMXGQIBUMNU-NRFANRHFSA-N 1 3 370.541 2.874 20 0 FFADHO Cc1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000051758698 507783708 /nfs/dbraw/zinc/78/37/08/507783708.db2.gz SKWPXFTXGGCAPT-UHFFFAOYSA-N 1 3 374.529 2.821 20 0 FFADHO CC[NH+](CC)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000064251317 507787704 /nfs/dbraw/zinc/78/77/04/507787704.db2.gz WDIZVWQWADZDHX-UHFFFAOYSA-N 1 3 352.548 2.601 20 0 FFADHO C[NH+](C)C1(CNC(=O)NCCCN2CCc3ccccc3C2)CCCC1 ZINC000078500991 507877185 /nfs/dbraw/zinc/87/71/85/507877185.db2.gz ARZLUFYKNDMZPF-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC3(CC2)NC(=N)Nc2nc4ccccc4n23)C1 ZINC000073002684 507883497 /nfs/dbraw/zinc/88/34/97/507883497.db2.gz WXNJKXAUOAECHY-HUUCEWRRSA-N 1 3 352.486 2.913 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000108552116 507903003 /nfs/dbraw/zinc/90/30/03/507903003.db2.gz GHSRIYOCIXJVOH-ROUUACIJSA-N 1 3 364.559 2.915 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000108552116 507903006 /nfs/dbraw/zinc/90/30/06/507903006.db2.gz GHSRIYOCIXJVOH-ROUUACIJSA-N 1 3 364.559 2.915 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000108550907 507903224 /nfs/dbraw/zinc/90/32/24/507903224.db2.gz AWRSNNDGPOJTQY-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc2c(c1)OCO2 ZINC000090038821 507903843 /nfs/dbraw/zinc/90/38/43/507903843.db2.gz AYZBVONZJBYLQP-OAHLLOKOSA-N 1 3 369.465 2.558 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000090458153 507920888 /nfs/dbraw/zinc/92/08/88/507920888.db2.gz JKGHDBDAONGWIW-HGTKMLMNSA-N 1 3 371.319 2.507 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000090458153 507920890 /nfs/dbraw/zinc/92/08/90/507920890.db2.gz JKGHDBDAONGWIW-HGTKMLMNSA-N 1 3 371.319 2.507 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468771 507922324 /nfs/dbraw/zinc/92/23/24/507922324.db2.gz PUEQODXUOWQEDT-MBOZVWFJSA-N 1 3 364.965 2.780 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468771 507922325 /nfs/dbraw/zinc/92/23/25/507922325.db2.gz PUEQODXUOWQEDT-MBOZVWFJSA-N 1 3 364.965 2.780 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000073495225 507925698 /nfs/dbraw/zinc/92/56/98/507925698.db2.gz NTCZIHOKBDUKHV-BBWFWOEESA-N 1 3 362.543 2.763 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C2 ZINC000073495225 507925699 /nfs/dbraw/zinc/92/56/99/507925699.db2.gz NTCZIHOKBDUKHV-BBWFWOEESA-N 1 3 362.543 2.763 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000073536460 507928985 /nfs/dbraw/zinc/92/89/85/507928985.db2.gz UOUSODWRUUQEBM-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000079251020 507947639 /nfs/dbraw/zinc/94/76/39/507947639.db2.gz DJSNRUQZPTZEOJ-CRAIPNDOSA-N 1 3 364.559 2.915 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000079251020 507947642 /nfs/dbraw/zinc/94/76/42/507947642.db2.gz DJSNRUQZPTZEOJ-CRAIPNDOSA-N 1 3 364.559 2.915 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079310866 507952701 /nfs/dbraw/zinc/95/27/01/507952701.db2.gz VZKVVONZALBSEO-XUVXKRRUSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079310866 507952705 /nfs/dbraw/zinc/95/27/05/507952705.db2.gz VZKVVONZALBSEO-XUVXKRRUSA-N 1 3 356.514 2.750 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000073812250 507958374 /nfs/dbraw/zinc/95/83/74/507958374.db2.gz WMRAUVVEUQIQQH-ZOBUZTSGSA-N 1 3 350.532 2.524 20 0 FFADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000073812250 507958376 /nfs/dbraw/zinc/95/83/76/507958376.db2.gz WMRAUVVEUQIQQH-ZOBUZTSGSA-N 1 3 350.532 2.524 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079504287 507969290 /nfs/dbraw/zinc/96/92/90/507969290.db2.gz GGJMGRJCJJRHAC-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091232270 507972070 /nfs/dbraw/zinc/97/20/70/507972070.db2.gz RAPMXCJQSQJZEY-UXHICEINSA-N 1 3 371.529 2.566 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043701 508037374 /nfs/dbraw/zinc/03/73/74/508037374.db2.gz MVVPSGCHMRSCHU-MOPGFXCFSA-N 1 3 360.498 2.771 20 0 FFADHO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043701 508037376 /nfs/dbraw/zinc/03/73/76/508037376.db2.gz MVVPSGCHMRSCHU-MOPGFXCFSA-N 1 3 360.498 2.771 20 0 FFADHO c1ccc(N2CCOCC2)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066897 508039218 /nfs/dbraw/zinc/03/92/18/508039218.db2.gz BESAEFUSHNHVMO-DENIHFKCSA-N 1 3 355.526 2.972 20 0 FFADHO c1ccc(N2CCOCC2)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066897 508039219 /nfs/dbraw/zinc/03/92/19/508039219.db2.gz BESAEFUSHNHVMO-DENIHFKCSA-N 1 3 355.526 2.972 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000074709934 508049632 /nfs/dbraw/zinc/04/96/32/508049632.db2.gz FOVKCONTTIQDSB-UHFFFAOYSA-N 1 3 350.551 2.768 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792204 508055924 /nfs/dbraw/zinc/05/59/24/508055924.db2.gz UDXYOHKYXNLQLQ-IHWFROFDSA-N 1 3 358.530 2.775 20 0 FFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792204 508055926 /nfs/dbraw/zinc/05/59/26/508055926.db2.gz UDXYOHKYXNLQLQ-IHWFROFDSA-N 1 3 358.530 2.775 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000075163080 508086931 /nfs/dbraw/zinc/08/69/31/508086931.db2.gz KOWWLEUNACWPFA-VCSGRIEYSA-N 1 3 370.541 2.574 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000075163080 508086933 /nfs/dbraw/zinc/08/69/33/508086933.db2.gz KOWWLEUNACWPFA-VCSGRIEYSA-N 1 3 370.541 2.574 20 0 FFADHO CCCN1CCN(c2ccccc2CN2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000092756677 508099789 /nfs/dbraw/zinc/09/97/89/508099789.db2.gz BNUPAKNMFLNMTN-OAQYLSRUSA-N 1 3 356.558 2.889 20 0 FFADHO CCOC[C@H]1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081519079 508185209 /nfs/dbraw/zinc/18/52/09/508185209.db2.gz AIVUJFCYJJFVPU-ICSRJNTNSA-N 1 3 373.541 2.514 20 0 FFADHO CN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000112740161 508218116 /nfs/dbraw/zinc/21/81/16/508218116.db2.gz MPMKSBRBQHVTAI-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO CC[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000112743047 508218700 /nfs/dbraw/zinc/21/87/00/508218700.db2.gz NHDILYKXOPODJQ-HXUWFJFHSA-N 1 3 358.530 2.561 20 0 FFADHO CC[N@H+](C)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000112926041 508234124 /nfs/dbraw/zinc/23/41/24/508234124.db2.gz LULVOTMHEDMNEZ-QGZVFWFLSA-N 1 3 357.420 2.509 20 0 FFADHO CC[N@@H+](C)CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000112926041 508234125 /nfs/dbraw/zinc/23/41/25/508234125.db2.gz LULVOTMHEDMNEZ-QGZVFWFLSA-N 1 3 357.420 2.509 20 0 FFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000076983608 508270678 /nfs/dbraw/zinc/27/06/78/508270678.db2.gz DNGZPEOWBVWATD-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000076983608 508270680 /nfs/dbraw/zinc/27/06/80/508270680.db2.gz DNGZPEOWBVWATD-FQEVSTJZSA-N 1 3 370.541 2.921 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000084455770 508279541 /nfs/dbraw/zinc/27/95/41/508279541.db2.gz DACVVCNJMIVWGO-HOTGVXAUSA-N 1 3 352.548 2.694 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000077202812 508287345 /nfs/dbraw/zinc/28/73/45/508287345.db2.gz LQPJDUHXXXGMQN-GOSISDBHSA-N 1 3 360.502 2.501 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000077202812 508287348 /nfs/dbraw/zinc/28/73/48/508287348.db2.gz LQPJDUHXXXGMQN-GOSISDBHSA-N 1 3 360.502 2.501 20 0 FFADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2)c1 ZINC000085289794 508302414 /nfs/dbraw/zinc/30/24/14/508302414.db2.gz HAFCKEADHCVOBB-IBGZPJMESA-N 1 3 374.573 2.600 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)C(C)(C)C[NH+](C)C ZINC000085424195 508308512 /nfs/dbraw/zinc/30/85/12/508308512.db2.gz DQCFXHPKWLRBSP-HNNXBMFYSA-N 1 3 354.564 2.798 20 0 FFADHO C[N@H+](CCNC(=O)NCCCN1CCc2ccccc2C1)C1CCCC1 ZINC000104781852 508346199 /nfs/dbraw/zinc/34/61/99/508346199.db2.gz PSDNBMYFGDJBHS-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO C[N@@H+](CCNC(=O)NCCCN1CCc2ccccc2C1)C1CCCC1 ZINC000104781852 508346203 /nfs/dbraw/zinc/34/62/03/508346203.db2.gz PSDNBMYFGDJBHS-UHFFFAOYSA-N 1 3 358.530 2.608 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000105126180 508362376 /nfs/dbraw/zinc/36/23/76/508362376.db2.gz JQTCJOIEVARNDD-WOJBJXKFSA-N 1 3 358.530 2.559 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000077774197 508371231 /nfs/dbraw/zinc/37/12/31/508371231.db2.gz BVDBZJKLXGYKRB-LJQANCHMSA-N 1 3 372.557 2.867 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000088491035 508372695 /nfs/dbraw/zinc/37/26/95/508372695.db2.gz TVJCDPLBPAICFW-UHFFFAOYSA-N 1 3 358.486 2.615 20 0 FFADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000077810814 508377391 /nfs/dbraw/zinc/37/73/91/508377391.db2.gz OKZCRCANTHEEIX-MSOLQXFVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H](CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000077810814 508377395 /nfs/dbraw/zinc/37/73/95/508377395.db2.gz OKZCRCANTHEEIX-MSOLQXFVSA-N 1 3 358.530 2.775 20 0 FFADHO Cc1noc(-c2ccccc2)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133604158 508423412 /nfs/dbraw/zinc/42/34/12/508423412.db2.gz VSVLIHFNYIJOEW-UHFFFAOYSA-N 1 3 359.474 2.607 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CN1C1CC1 ZINC000127315551 508430892 /nfs/dbraw/zinc/43/08/92/508430892.db2.gz HACBSAFPAKCWJJ-VQIMIIECSA-N 1 3 356.514 2.707 20 0 FFADHO CCC(CC)[C@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)[NH+]1CCCC1 ZINC000115792896 508438031 /nfs/dbraw/zinc/43/80/31/508438031.db2.gz SRMRVNABHWWPQY-HKUYNNGSSA-N 1 3 352.567 2.870 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000156666434 508459284 /nfs/dbraw/zinc/45/92/84/508459284.db2.gz DSCHUUJHQSSWMU-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000156666434 508459290 /nfs/dbraw/zinc/45/92/90/508459290.db2.gz DSCHUUJHQSSWMU-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](N4CCCC4)C3)CC2)CC1 ZINC000152748724 508507614 /nfs/dbraw/zinc/50/76/14/508507614.db2.gz RYGCREVPJNTJDD-SOAGJPPSSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Br)s1 ZINC000128005546 508533927 /nfs/dbraw/zinc/53/39/27/508533927.db2.gz ICNHWUNFFQAUPZ-NEPJUHHUSA-N 1 3 374.348 2.749 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157259545 508543912 /nfs/dbraw/zinc/54/39/12/508543912.db2.gz YLRLZJBFQVGBSG-RTWAWAEBSA-N 1 3 372.557 2.819 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000128405487 508587776 /nfs/dbraw/zinc/58/77/76/508587776.db2.gz MDQBOCMSIMMROX-SESVDKBCSA-N 1 3 372.557 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000128405487 508587778 /nfs/dbraw/zinc/58/77/78/508587778.db2.gz MDQBOCMSIMMROX-SESVDKBCSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000135375328 508595962 /nfs/dbraw/zinc/59/59/62/508595962.db2.gz VDQSNHSIUKWLTF-UHFFFAOYSA-N 1 3 374.916 2.967 20 0 FFADHO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCC(C)CC1 ZINC000157915988 508632732 /nfs/dbraw/zinc/63/27/32/508632732.db2.gz LUONXKHOFRWCGT-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO CCCO[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000158484810 508711292 /nfs/dbraw/zinc/71/12/92/508711292.db2.gz MODFQBHGIOYCGL-PMACEKPBSA-N 1 3 361.530 2.687 20 0 FFADHO Cn1cccc1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000119053280 508715861 /nfs/dbraw/zinc/71/58/61/508715861.db2.gz KRLAYWVTUMKYDF-UHFFFAOYSA-N 1 3 357.498 2.805 20 0 FFADHO Cn1cccc1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000119053280 508715862 /nfs/dbraw/zinc/71/58/62/508715862.db2.gz KRLAYWVTUMKYDF-UHFFFAOYSA-N 1 3 357.498 2.805 20 0 FFADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccc(F)c1)C[NH+]1CCCC1 ZINC000129382410 508720508 /nfs/dbraw/zinc/72/05/08/508720508.db2.gz GQAVJEOHSIZJAH-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158880101 508763492 /nfs/dbraw/zinc/76/34/92/508763492.db2.gz OEPRZJKAZKPBPW-UZLBHIALSA-N 1 3 374.529 2.714 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159028560 508783528 /nfs/dbraw/zinc/78/35/28/508783528.db2.gz IOBKGZGMDMRUCG-ROUUACIJSA-N 1 3 373.545 2.781 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159028560 508783533 /nfs/dbraw/zinc/78/35/33/508783533.db2.gz IOBKGZGMDMRUCG-ROUUACIJSA-N 1 3 373.545 2.781 20 0 FFADHO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000130070429 508792602 /nfs/dbraw/zinc/79/26/02/508792602.db2.gz VRNQDYHJBWILBV-SJLPKXTDSA-N 1 3 369.431 2.557 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000154500677 508797379 /nfs/dbraw/zinc/79/73/79/508797379.db2.gz MBGQDBMBXWNEQA-IBGZPJMESA-N 1 3 372.557 2.882 20 0 FFADHO CC[C@@]1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CC[NH2+]C1 ZINC000119755478 508856826 /nfs/dbraw/zinc/85/68/26/508856826.db2.gz OGOSTWHQZVDRMY-OAQYLSRUSA-N 1 3 356.514 2.547 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H](C)C1 ZINC000131410627 508928395 /nfs/dbraw/zinc/92/83/95/508928395.db2.gz VAVRHWXJDUETCR-QUCCMNQESA-N 1 3 360.546 2.908 20 0 FFADHO CC[C@H](C)Oc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000131609019 508953927 /nfs/dbraw/zinc/95/39/27/508953927.db2.gz IXJMXTQTQIAUEQ-INIZCTEOSA-N 1 3 350.507 2.821 20 0 FFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000126026830 509055888 /nfs/dbraw/zinc/05/58/88/509055888.db2.gz CAYWNMRROOYYAJ-HOCLYGCPSA-N 1 3 350.894 2.870 20 0 FFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000126026830 509055891 /nfs/dbraw/zinc/05/58/91/509055891.db2.gz CAYWNMRROOYYAJ-HOCLYGCPSA-N 1 3 350.894 2.870 20 0 FFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000126032918 509056448 /nfs/dbraw/zinc/05/64/48/509056448.db2.gz MRQQAFBIFAURRG-INIZCTEOSA-N 1 3 350.894 2.870 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000120937376 509092527 /nfs/dbraw/zinc/09/25/27/509092527.db2.gz NDNNLRDSDMMNNL-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000120937376 509092530 /nfs/dbraw/zinc/09/25/30/509092530.db2.gz NDNNLRDSDMMNNL-HZPDHXFCSA-N 1 3 363.502 2.742 20 0 FFADHO CC(C)(C)[NH+]1CCC(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000247973668 509205399 /nfs/dbraw/zinc/20/53/99/509205399.db2.gz HOLQWWPAFPEBFZ-FPOVZHCZSA-N 1 3 359.558 2.722 20 0 FFADHO CC(C)(C)N1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000247973668 509205411 /nfs/dbraw/zinc/20/54/11/509205411.db2.gz HOLQWWPAFPEBFZ-FPOVZHCZSA-N 1 3 359.558 2.722 20 0 FFADHO CN(C)CCNC(=O)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185505268 509209889 /nfs/dbraw/zinc/20/98/89/509209889.db2.gz LMPNZSXYLWYUHI-UHFFFAOYSA-N 1 3 363.468 2.745 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248122648 509239595 /nfs/dbraw/zinc/23/95/95/509239595.db2.gz UQWCVSIADFEQFE-NHCUHLMSSA-N 1 3 370.541 2.949 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000185638939 509279871 /nfs/dbraw/zinc/27/98/71/509279871.db2.gz GRERGUXOOVSJPI-XLIONFOSSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248385070 509282984 /nfs/dbraw/zinc/28/29/84/509282984.db2.gz HBEMGXVPPSMVIN-SFTDATJTSA-N 1 3 373.541 2.522 20 0 FFADHO CC(C)N1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248385070 509282986 /nfs/dbraw/zinc/28/29/86/509282986.db2.gz HBEMGXVPPSMVIN-SFTDATJTSA-N 1 3 373.541 2.522 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000248394291 509289687 /nfs/dbraw/zinc/28/96/87/509289687.db2.gz FOQBLYFBVIYCAY-VAMGGRTRSA-N 1 3 367.493 2.900 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000248394291 509289692 /nfs/dbraw/zinc/28/96/92/509289692.db2.gz FOQBLYFBVIYCAY-VAMGGRTRSA-N 1 3 367.493 2.900 20 0 FFADHO O=C(NCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000248394291 509289695 /nfs/dbraw/zinc/28/96/95/509289695.db2.gz FOQBLYFBVIYCAY-VAMGGRTRSA-N 1 3 367.493 2.900 20 0 FFADHO C[C@@H](NC[C@H](O)COCc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662094 509291799 /nfs/dbraw/zinc/29/17/99/509291799.db2.gz BOVGHAWNUYSVPJ-UWVAXJGDSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@@H](NC[C@H](O)COCc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662094 509291809 /nfs/dbraw/zinc/29/18/09/509291809.db2.gz BOVGHAWNUYSVPJ-UWVAXJGDSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000185662094 509291818 /nfs/dbraw/zinc/29/18/18/509291818.db2.gz BOVGHAWNUYSVPJ-UWVAXJGDSA-N 1 3 364.505 2.946 20 0 FFADHO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248408997 509303664 /nfs/dbraw/zinc/30/36/64/509303664.db2.gz WBTZYZNWNDQTIR-UWHLTILDSA-N 1 3 370.541 2.681 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248408997 509303671 /nfs/dbraw/zinc/30/36/71/509303671.db2.gz WBTZYZNWNDQTIR-UWHLTILDSA-N 1 3 370.541 2.681 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248408997 509303679 /nfs/dbraw/zinc/30/36/79/509303679.db2.gz WBTZYZNWNDQTIR-UWHLTILDSA-N 1 3 370.541 2.681 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000162797668 509303990 /nfs/dbraw/zinc/30/39/90/509303990.db2.gz QSKBNSFBBHXLHY-BLKABHOGSA-N 1 3 358.526 2.858 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000162797668 509303999 /nfs/dbraw/zinc/30/39/99/509303999.db2.gz QSKBNSFBBHXLHY-BLKABHOGSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@H]2C[N@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000162797668 509304006 /nfs/dbraw/zinc/30/40/06/509304006.db2.gz QSKBNSFBBHXLHY-BLKABHOGSA-N 1 3 358.526 2.858 20 0 FFADHO CN1CCC[C@H]2C[N@@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000162797668 509304014 /nfs/dbraw/zinc/30/40/14/509304014.db2.gz QSKBNSFBBHXLHY-BLKABHOGSA-N 1 3 358.526 2.858 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248457703 509331672 /nfs/dbraw/zinc/33/16/72/509331672.db2.gz UARUVTHYFSVRJD-XRXFAXGQSA-N 1 3 356.510 2.691 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189213659 509465079 /nfs/dbraw/zinc/46/50/79/509465079.db2.gz MUAVUAIRWGSCDY-KRWDZBQOSA-N 1 3 372.513 2.665 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189213659 509465081 /nfs/dbraw/zinc/46/50/81/509465081.db2.gz MUAVUAIRWGSCDY-KRWDZBQOSA-N 1 3 372.513 2.665 20 0 FFADHO CC1(C)CN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC000248747241 509465511 /nfs/dbraw/zinc/46/55/11/509465511.db2.gz BFLUQYUINQANSX-MZADTFQBSA-N 1 3 357.542 2.882 20 0 FFADHO CC1(C)CN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000248747241 509465518 /nfs/dbraw/zinc/46/55/18/509465518.db2.gz BFLUQYUINQANSX-MZADTFQBSA-N 1 3 357.542 2.882 20 0 FFADHO CC(C)C[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236673818 509477317 /nfs/dbraw/zinc/47/73/17/509477317.db2.gz YNZXDHHCDKCCAD-SFHVURJKSA-N 1 3 367.921 2.673 20 0 FFADHO C[C@@H]1CCC[C@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176382391 509478895 /nfs/dbraw/zinc/47/88/95/509478895.db2.gz AALUQDOIQPKCEF-SJORKVTESA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000236705123 509484781 /nfs/dbraw/zinc/48/47/81/509484781.db2.gz XYAHGOFBLANZPH-NRFANRHFSA-N 1 3 360.546 2.710 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248790581 509484962 /nfs/dbraw/zinc/48/49/62/509484962.db2.gz ITQVAHHREUDHLL-AYWYSENESA-N 1 3 370.541 2.775 20 0 FFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248790581 509484969 /nfs/dbraw/zinc/48/49/69/509484969.db2.gz ITQVAHHREUDHLL-AYWYSENESA-N 1 3 370.541 2.775 20 0 FFADHO C(=C/C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)\CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267447441 509488199 /nfs/dbraw/zinc/48/81/99/509488199.db2.gz QILAMAAYGWELMI-ZHEVZCJESA-N 1 3 354.502 2.748 20 0 FFADHO C(=C/C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)\CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267447441 509488202 /nfs/dbraw/zinc/48/82/02/509488202.db2.gz QILAMAAYGWELMI-ZHEVZCJESA-N 1 3 354.502 2.748 20 0 FFADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000236923121 509534599 /nfs/dbraw/zinc/53/45/99/509534599.db2.gz OFUPYEXSQBMQNO-DNVCBOLYSA-N 1 3 355.486 2.815 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)C2(N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237123200 509577941 /nfs/dbraw/zinc/57/79/41/509577941.db2.gz LJXALMXCWZLCNU-HIFRSBDPSA-N 1 3 355.404 2.696 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)C2(N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237123200 509577948 /nfs/dbraw/zinc/57/79/48/509577948.db2.gz LJXALMXCWZLCNU-HIFRSBDPSA-N 1 3 355.404 2.696 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000173412442 509583434 /nfs/dbraw/zinc/58/34/34/509583434.db2.gz GEDJROYGCDAXBR-LSTHTHJFSA-N 1 3 360.546 2.976 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000173412442 509583440 /nfs/dbraw/zinc/58/34/40/509583440.db2.gz GEDJROYGCDAXBR-LSTHTHJFSA-N 1 3 360.546 2.976 20 0 FFADHO CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000166345176 509602387 /nfs/dbraw/zinc/60/23/87/509602387.db2.gz VZTOQVFRMXTTRY-VQTJNVASSA-N 1 3 371.525 2.906 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166345176 509602388 /nfs/dbraw/zinc/60/23/88/509602388.db2.gz VZTOQVFRMXTTRY-VQTJNVASSA-N 1 3 371.525 2.906 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166345176 509602396 /nfs/dbraw/zinc/60/23/96/509602396.db2.gz VZTOQVFRMXTTRY-VQTJNVASSA-N 1 3 371.525 2.906 20 0 FFADHO COc1cccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237313228 509619782 /nfs/dbraw/zinc/61/97/82/509619782.db2.gz CCJDBJOXVANXFN-SFTDATJTSA-N 1 3 367.493 2.691 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000167543782 509634271 /nfs/dbraw/zinc/63/42/71/509634271.db2.gz MAJQGGHCPCOGLP-VWFIUDSGSA-N 1 3 361.530 2.596 20 0 FFADHO COc1cc(CN2CC[C@@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000167543782 509634274 /nfs/dbraw/zinc/63/42/74/509634274.db2.gz MAJQGGHCPCOGLP-VWFIUDSGSA-N 1 3 361.530 2.596 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000249212969 509636326 /nfs/dbraw/zinc/63/63/26/509636326.db2.gz AUSVVETXGJHDAI-TZIWHRDSSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000249212969 509636333 /nfs/dbraw/zinc/63/63/33/509636333.db2.gz AUSVVETXGJHDAI-TZIWHRDSSA-N 1 3 372.557 2.880 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000173578141 509656326 /nfs/dbraw/zinc/65/63/26/509656326.db2.gz MASSCDYHRJNJJI-AWEZNQCLSA-N 1 3 372.435 2.984 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000173578141 509656328 /nfs/dbraw/zinc/65/63/28/509656328.db2.gz MASSCDYHRJNJJI-AWEZNQCLSA-N 1 3 372.435 2.984 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)C2CCC(C)CC2)[C@@H](C)C1 ZINC000249407066 509674703 /nfs/dbraw/zinc/67/47/03/509674703.db2.gz DLPZYSMOXUEENR-ZUPWUQBJSA-N 1 3 367.578 2.750 20 0 FFADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000173617973 509679149 /nfs/dbraw/zinc/67/91/49/509679149.db2.gz KLGQHPGYCVUTQG-INIZCTEOSA-N 1 3 356.514 2.678 20 0 FFADHO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H](N)c1ccccc1 ZINC000237712071 509716979 /nfs/dbraw/zinc/71/69/79/509716979.db2.gz AUXOTDDSFPXHLB-UZLBHIALSA-N 1 3 355.482 2.579 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000183468944 509810421 /nfs/dbraw/zinc/81/04/21/509810421.db2.gz UUNHKXORSIEIES-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000183468944 509810423 /nfs/dbraw/zinc/81/04/23/509810423.db2.gz UUNHKXORSIEIES-HOJAQTOUSA-N 1 3 358.530 2.633 20 0 FFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000251797093 509822647 /nfs/dbraw/zinc/82/26/47/509822647.db2.gz KFHWBRPSMDZOBE-HZPDHXFCSA-N 1 3 352.548 2.915 20 0 FFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000251797093 509822654 /nfs/dbraw/zinc/82/26/54/509822654.db2.gz KFHWBRPSMDZOBE-HZPDHXFCSA-N 1 3 352.548 2.915 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000253187732 509862393 /nfs/dbraw/zinc/86/23/93/509862393.db2.gz CWFCOKJHDMKYJT-HKBOAZHASA-N 1 3 370.541 2.775 20 0 FFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000253187732 509862396 /nfs/dbraw/zinc/86/23/96/509862396.db2.gz CWFCOKJHDMKYJT-HKBOAZHASA-N 1 3 370.541 2.775 20 0 FFADHO O=C1O[C@H](CN2CCC(OCC[NH+]3CCCC3)CC2)CN1c1ccccc1 ZINC000173963399 509878916 /nfs/dbraw/zinc/87/89/16/509878916.db2.gz TUOXQLJMMTUKKY-HXUWFJFHSA-N 1 3 373.497 2.589 20 0 FFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268431207 509925834 /nfs/dbraw/zinc/92/58/34/509925834.db2.gz PAXFJAPVLSTBRB-UHFFFAOYSA-N 1 3 374.504 2.953 20 0 FFADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2OCc2cccnc2)CC1 ZINC000268444013 509934909 /nfs/dbraw/zinc/93/49/09/509934909.db2.gz SSRYUCRMDNYMPO-UHFFFAOYSA-N 1 3 369.509 2.986 20 0 FFADHO CC1(CO)CCN(Cc2ccccc2C[NH+]2CCC(C)(CO)CC2)CC1 ZINC000186912043 509945642 /nfs/dbraw/zinc/94/56/42/509945642.db2.gz QNGWQCANJHFYIF-UHFFFAOYSA-N 1 3 360.542 2.875 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000174117959 509955996 /nfs/dbraw/zinc/95/59/96/509955996.db2.gz CVIRMJOUIXCKSQ-FPOVZHCZSA-N 1 3 372.557 2.979 20 0 FFADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000174153678 509972887 /nfs/dbraw/zinc/97/28/87/509972887.db2.gz BBNDGDAITHYBRS-QUCCMNQESA-N 1 3 361.505 2.980 20 0 FFADHO C[C@@H](NC1CCN(CC[NH+](C)C)CC1)c1ncc(Br)cc1F ZINC000186985665 509987518 /nfs/dbraw/zinc/98/75/18/509987518.db2.gz DIXOMTRZAHDLDA-GFCCVEGCSA-N 1 3 373.314 2.660 20 0 FFADHO C[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261595106 509993041 /nfs/dbraw/zinc/99/30/41/509993041.db2.gz NWTZLDWSSBUIRC-DZFGPLHGSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261595106 509993051 /nfs/dbraw/zinc/99/30/51/509993051.db2.gz NWTZLDWSSBUIRC-DZFGPLHGSA-N 1 3 351.494 2.583 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000174210028 510003329 /nfs/dbraw/zinc/00/33/29/510003329.db2.gz KUAXXTSXWSBNTP-ICSRJNTNSA-N 1 3 358.530 2.725 20 0 FFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000245561257 510008893 /nfs/dbraw/zinc/00/88/93/510008893.db2.gz CAYWNMRROOYYAJ-ZBFHGGJFSA-N 1 3 350.894 2.870 20 0 FFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000245561257 510008897 /nfs/dbraw/zinc/00/88/97/510008897.db2.gz CAYWNMRROOYYAJ-ZBFHGGJFSA-N 1 3 350.894 2.870 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000187026650 510014515 /nfs/dbraw/zinc/01/45/15/510014515.db2.gz ACSGJFJGBIENEQ-HBFSDRIKSA-N 1 3 367.578 2.798 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187106476 510059493 /nfs/dbraw/zinc/05/94/93/510059493.db2.gz PBLGXSZUEACOIJ-MRXNPFEDSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000187106476 510059498 /nfs/dbraw/zinc/05/94/98/510059498.db2.gz PBLGXSZUEACOIJ-MRXNPFEDSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245662251 510068516 /nfs/dbraw/zinc/06/85/16/510068516.db2.gz DHAMXUCDHWFHHF-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245662251 510068524 /nfs/dbraw/zinc/06/85/24/510068524.db2.gz DHAMXUCDHWFHHF-JKSUJKDBSA-N 1 3 350.532 2.669 20 0 FFADHO CC(C)N(C(=O)[C@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000171306184 510070642 /nfs/dbraw/zinc/07/06/42/510070642.db2.gz LYJMDEVSXRVCLG-OTWHNJEPSA-N 1 3 367.578 2.842 20 0 FFADHO CC(C)N(C(=O)[C@H](C)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000171306184 510070649 /nfs/dbraw/zinc/07/06/49/510070649.db2.gz LYJMDEVSXRVCLG-OTWHNJEPSA-N 1 3 367.578 2.842 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000177502442 510100811 /nfs/dbraw/zinc/10/08/11/510100811.db2.gz DRKCBCRMKXSAFW-FPOVZHCZSA-N 1 3 372.557 2.820 20 0 FFADHO O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000261889652 510103332 /nfs/dbraw/zinc/10/33/32/510103332.db2.gz BRPJTFHBWXGVEP-IRLDBZIGSA-N 1 3 367.537 2.891 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245714953 510104340 /nfs/dbraw/zinc/10/43/40/510104340.db2.gz NVHPOJBYPVTOBB-HAGHYFMRSA-N 1 3 356.514 2.575 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245714953 510104344 /nfs/dbraw/zinc/10/43/44/510104344.db2.gz NVHPOJBYPVTOBB-HAGHYFMRSA-N 1 3 356.514 2.575 20 0 FFADHO CCC(CC)(CNC(=O)[C@@H](N)C1CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000261893995 510104431 /nfs/dbraw/zinc/10/44/31/510104431.db2.gz VVFPKROWLLACLE-LPHOPBHVSA-N 1 3 361.530 2.766 20 0 FFADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)CCN1Cc1ccccc1 ZINC000268880326 510115553 /nfs/dbraw/zinc/11/55/53/510115553.db2.gz MNXOUHZEKLPMGG-UNMCSNQZSA-N 1 3 358.574 2.657 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245833020 510158956 /nfs/dbraw/zinc/15/89/56/510158956.db2.gz AZPLWEPHRJXKBT-YOUFYPILSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245833020 510158962 /nfs/dbraw/zinc/15/89/62/510158962.db2.gz AZPLWEPHRJXKBT-YOUFYPILSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187271523 510162233 /nfs/dbraw/zinc/16/22/33/510162233.db2.gz KCPVWNYYWXQYTO-NQIIRXRSSA-N 1 3 373.541 2.829 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194007017 510172295 /nfs/dbraw/zinc/17/22/95/510172295.db2.gz MRKHWALHPLJVLG-OAQYLSRUSA-N 1 3 372.557 2.677 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245877965 510183567 /nfs/dbraw/zinc/18/35/67/510183567.db2.gz MTBSZBIUCJEPHY-QZTJIDSGSA-N 1 3 352.544 2.951 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000245877965 510183570 /nfs/dbraw/zinc/18/35/70/510183570.db2.gz MTBSZBIUCJEPHY-QZTJIDSGSA-N 1 3 352.544 2.951 20 0 FFADHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262134070 510188804 /nfs/dbraw/zinc/18/88/04/510188804.db2.gz OLRPDXOEQFIHMZ-FQEVSTJZSA-N 1 3 367.541 2.649 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000245894443 510193740 /nfs/dbraw/zinc/19/37/40/510193740.db2.gz DEZKXYMSDNGJNJ-QYZOEREBSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245911565 510202089 /nfs/dbraw/zinc/20/20/89/510202089.db2.gz WLEWFAAGVARVBP-KURKYZTESA-N 1 3 350.551 2.765 20 0 FFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000245911565 510202094 /nfs/dbraw/zinc/20/20/94/510202094.db2.gz WLEWFAAGVARVBP-KURKYZTESA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)OC(=O)c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000180956804 510205924 /nfs/dbraw/zinc/20/59/24/510205924.db2.gz WNDBOZXRNHIYHJ-UHFFFAOYSA-N 1 3 361.530 2.710 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000177738105 510226535 /nfs/dbraw/zinc/22/65/35/510226535.db2.gz ZNBHSBBKAADFDF-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181062008 510264204 /nfs/dbraw/zinc/26/42/04/510264204.db2.gz UTLCQZARBUXUKS-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246086752 510283585 /nfs/dbraw/zinc/28/35/85/510283585.db2.gz IINUXEWWSZHEAC-QMMLZNLJSA-N 1 3 373.541 2.559 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000269242366 510305105 /nfs/dbraw/zinc/30/51/05/510305105.db2.gz BSZYYXXELQPSME-TZIWHRDSSA-N 1 3 351.494 2.709 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CN)c1ccccc1 ZINC000269242366 510305111 /nfs/dbraw/zinc/30/51/11/510305111.db2.gz BSZYYXXELQPSME-TZIWHRDSSA-N 1 3 351.494 2.709 20 0 FFADHO C[C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000269275042 510319439 /nfs/dbraw/zinc/31/94/39/510319439.db2.gz WGTWPDIIHYNTST-LAUBAEHRSA-N 1 3 369.509 2.622 20 0 FFADHO CC[C@H](CNC(=O)[C@H](N)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000262678324 510365438 /nfs/dbraw/zinc/36/54/38/510365438.db2.gz UPSBPGFDARFUGG-NHCUHLMSSA-N 1 3 351.494 2.510 20 0 FFADHO CC[C@H](CNC(=O)[C@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000262678324 510365439 /nfs/dbraw/zinc/36/54/39/510365439.db2.gz UPSBPGFDARFUGG-NHCUHLMSSA-N 1 3 351.494 2.510 20 0 FFADHO CCN(CC)Cc1cccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262701521 510375027 /nfs/dbraw/zinc/37/50/27/510375027.db2.gz CGXSPIRMEUFOPM-SFHVURJKSA-N 1 3 355.486 2.902 20 0 FFADHO CN1CCCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)CC1 ZINC000246256877 510392289 /nfs/dbraw/zinc/39/22/89/510392289.db2.gz KKXGTBSQWHFXKS-AHRSYUTCSA-N 1 3 356.514 2.688 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000266110029 510414705 /nfs/dbraw/zinc/41/47/05/510414705.db2.gz USQLSRJLWADNFZ-XLIONFOSSA-N 1 3 361.530 2.819 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCC(C)CC1 ZINC000246337896 510434847 /nfs/dbraw/zinc/43/48/47/510434847.db2.gz LLIOXULOGGPUJS-HBFSDRIKSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCC(C)CC1 ZINC000246337896 510434851 /nfs/dbraw/zinc/43/48/51/510434851.db2.gz LLIOXULOGGPUJS-HBFSDRIKSA-N 1 3 362.562 2.765 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000246346838 510437919 /nfs/dbraw/zinc/43/79/19/510437919.db2.gz OUDUCUZBKSPHFW-HLAWJBBLSA-N 1 3 372.557 2.533 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000246346838 510437926 /nfs/dbraw/zinc/43/79/26/510437926.db2.gz OUDUCUZBKSPHFW-HLAWJBBLSA-N 1 3 372.557 2.533 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000246394250 510464995 /nfs/dbraw/zinc/46/49/95/510464995.db2.gz RETKDJGVWJLVNC-CVEARBPZSA-N 1 3 367.563 2.570 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000246394250 510465007 /nfs/dbraw/zinc/46/50/07/510465007.db2.gz RETKDJGVWJLVNC-CVEARBPZSA-N 1 3 367.563 2.570 20 0 FFADHO COc1ccccc1COC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246414100 510476502 /nfs/dbraw/zinc/47/65/02/510476502.db2.gz BRQYZGAVKGAUBX-UIFIKXQLSA-N 1 3 374.525 2.521 20 0 FFADHO COc1ccccc1COC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246414100 510476506 /nfs/dbraw/zinc/47/65/06/510476506.db2.gz BRQYZGAVKGAUBX-UIFIKXQLSA-N 1 3 374.525 2.521 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000246464365 510503886 /nfs/dbraw/zinc/50/38/86/510503886.db2.gz GIPHVYPNSGQYDH-CVEARBPZSA-N 1 3 367.563 2.570 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000246464365 510503891 /nfs/dbraw/zinc/50/38/91/510503891.db2.gz GIPHVYPNSGQYDH-CVEARBPZSA-N 1 3 367.563 2.570 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn3cc(Cl)ccc3n2)C[C@H](C)O1 ZINC000172116505 510551642 /nfs/dbraw/zinc/55/16/42/510551642.db2.gz VCBMCAUUBLYKCS-GASCZTMLSA-N 1 3 350.894 2.967 20 0 FFADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000178353217 510562651 /nfs/dbraw/zinc/56/26/51/510562651.db2.gz LYEMODDCHOWYQR-IUODEOHRSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000178353217 510562657 /nfs/dbraw/zinc/56/26/57/510562657.db2.gz LYEMODDCHOWYQR-IUODEOHRSA-N 1 3 354.292 2.850 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+](CC)CC)c2)C1(C)C ZINC000188065809 510575005 /nfs/dbraw/zinc/57/50/05/510575005.db2.gz KSYOLKLUTREPMO-NQIIRXRSSA-N 1 3 361.530 2.677 20 0 FFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246634990 510593049 /nfs/dbraw/zinc/59/30/49/510593049.db2.gz FEUDEROEGIWJRK-SFTDATJTSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000188186803 510636980 /nfs/dbraw/zinc/63/69/80/510636980.db2.gz AVUHJWDHAQMRJM-INIZCTEOSA-N 1 3 368.363 2.997 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1(C)C ZINC000181974006 510686420 /nfs/dbraw/zinc/68/64/20/510686420.db2.gz YCWAVBSQWATDGR-VQTJNVASSA-N 1 3 373.541 2.805 20 0 FFADHO C[C@H](CCNC(=O)N(C)C[C@@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640910 510707539 /nfs/dbraw/zinc/70/75/39/510707539.db2.gz KPTPQZUAEXEZDP-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@H](CCNC(=O)N(C)C[C@@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640910 510707546 /nfs/dbraw/zinc/70/75/46/510707546.db2.gz KPTPQZUAEXEZDP-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000175773185 510784068 /nfs/dbraw/zinc/78/40/68/510784068.db2.gz IIUJGXPXUVVHMF-PKOBYXMFSA-N 1 3 352.567 2.869 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cc4ccccc4o3)CC2)CC1 ZINC000195343209 510794001 /nfs/dbraw/zinc/79/40/01/510794001.db2.gz HLEHJACPQPYXRB-UHFFFAOYSA-N 1 3 370.497 2.791 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000263699916 510797935 /nfs/dbraw/zinc/79/79/35/510797935.db2.gz OOHOMQPSBKXNFN-HXUWFJFHSA-N 1 3 373.545 2.562 20 0 FFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000263699916 510797944 /nfs/dbraw/zinc/79/79/44/510797944.db2.gz OOHOMQPSBKXNFN-HXUWFJFHSA-N 1 3 373.545 2.562 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)CC2)CC1 ZINC000175813565 510804500 /nfs/dbraw/zinc/80/45/00/510804500.db2.gz SXIZJSNTIBDESS-GMAHTHKFSA-N 1 3 367.537 2.565 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000247039205 510811704 /nfs/dbraw/zinc/81/17/04/510811704.db2.gz YTWJKJIGZIJWBK-FJIDUMEYSA-N 1 3 358.530 2.985 20 0 FFADHO CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000182238865 510828260 /nfs/dbraw/zinc/82/82/60/510828260.db2.gz YUOLUAWQXDUIFA-OALUTQOASA-N 1 3 350.528 2.728 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000247240574 510853732 /nfs/dbraw/zinc/85/37/32/510853732.db2.gz ZXNRHVRCNCXTPD-SLFFLAALSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000247384809 510859332 /nfs/dbraw/zinc/85/93/32/510859332.db2.gz LIDGDPCQGWQXRE-BWPNAZKDSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000247384809 510859333 /nfs/dbraw/zinc/85/93/33/510859333.db2.gz LIDGDPCQGWQXRE-BWPNAZKDSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000247466933 510861608 /nfs/dbraw/zinc/86/16/08/510861608.db2.gz ROWASTWVSMHNQN-PZJWPPBQSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@H]1CCCN(CCNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000247466933 510861609 /nfs/dbraw/zinc/86/16/09/510861609.db2.gz ROWASTWVSMHNQN-PZJWPPBQSA-N 1 3 372.557 2.882 20 0 FFADHO CN(C)CCn1nccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000293967597 510913011 /nfs/dbraw/zinc/91/30/11/510913011.db2.gz FNJNWGCMWLKIJQ-UHFFFAOYSA-N 1 3 355.486 2.683 20 0 FFADHO CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000294327955 511027930 /nfs/dbraw/zinc/02/79/30/511027930.db2.gz RJRIZKHCEZDYSD-RTBURBONSA-N 1 3 350.528 2.728 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc4ccccc4c3)CC2)CC1 ZINC000297915639 511108760 /nfs/dbraw/zinc/10/87/60/511108760.db2.gz TXCXZSKDVXDYLC-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H]1SC ZINC000291387499 511178226 /nfs/dbraw/zinc/17/82/26/511178226.db2.gz CBHBNQYMUVEJQL-ZCNNSNEGSA-N 1 3 364.555 2.642 20 0 FFADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CCC2 ZINC000362362349 511179937 /nfs/dbraw/zinc/17/99/37/511179937.db2.gz MDRBUEYEIQEPTP-KRWDZBQOSA-N 1 3 362.562 2.767 20 0 FFADHO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298119134 511181197 /nfs/dbraw/zinc/18/11/97/511181197.db2.gz OZYGMPCPGXGJIX-IBGZPJMESA-N 1 3 365.481 2.946 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000282998370 511194458 /nfs/dbraw/zinc/19/44/58/511194458.db2.gz QXYMQAASHQTUIF-PMACEKPBSA-N 1 3 372.557 2.880 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CC3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000291492653 511220221 /nfs/dbraw/zinc/22/02/21/511220221.db2.gz TVMZLYRBIJXULK-UHFFFAOYSA-N 1 3 358.530 2.807 20 0 FFADHO C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000333376508 511223846 /nfs/dbraw/zinc/22/38/46/511223846.db2.gz VSWDYBLQWSYDJB-WFASDCNBSA-N 1 3 366.893 2.624 20 0 FFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)C2)C1 ZINC000291659745 511286101 /nfs/dbraw/zinc/28/61/01/511286101.db2.gz LHQJVWLYOVSRTH-LPHOPBHVSA-N 1 3 362.543 2.622 20 0 FFADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)C2)C1 ZINC000291659745 511286104 /nfs/dbraw/zinc/28/61/04/511286104.db2.gz LHQJVWLYOVSRTH-LPHOPBHVSA-N 1 3 362.543 2.622 20 0 FFADHO c1cc(CN2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)ccn1 ZINC000298542270 511321754 /nfs/dbraw/zinc/32/17/54/511321754.db2.gz TVVRKCDGDHGPNY-UHFFFAOYSA-N 1 3 351.498 2.700 20 0 FFADHO Cc1cc(-n2ccnc2)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000365276386 511356489 /nfs/dbraw/zinc/35/64/89/511356489.db2.gz RDDNAIPOHMDLEL-KNQAVFIVSA-N 1 3 367.541 2.639 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000298689509 511375743 /nfs/dbraw/zinc/37/57/43/511375743.db2.gz ZYRMVEPVSWZBSI-FQEVSTJZSA-N 1 3 358.530 2.949 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)NC1CC([NH+]2CCCCC2)C1 ZINC000365410621 511433934 /nfs/dbraw/zinc/43/39/34/511433934.db2.gz AEZNHYJSGOBOQB-UHFFFAOYSA-N 1 3 370.541 2.751 20 0 FFADHO CN(c1ccccc1CNCC1([S@@](C)=O)CCC1)C1CC[NH+](C)CC1 ZINC000280570001 511516241 /nfs/dbraw/zinc/51/62/41/511516241.db2.gz GNPFGZZMPSWKCD-RUZDIDTESA-N 1 3 363.571 2.608 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000299105770 511517364 /nfs/dbraw/zinc/51/73/64/511517364.db2.gz MUZPYAUZSZXOTJ-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000299105770 511517365 /nfs/dbraw/zinc/51/73/65/511517365.db2.gz MUZPYAUZSZXOTJ-KRWDZBQOSA-N 1 3 362.518 2.617 20 0 FFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000292360321 511567144 /nfs/dbraw/zinc/56/71/44/511567144.db2.gz YQOXZZYLIHLJST-KSZLIROESA-N 1 3 361.530 2.928 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1c[nH]c2nccnc12 ZINC000365652369 511582831 /nfs/dbraw/zinc/58/28/31/511582831.db2.gz VFADOPMLVXGNLR-UHFFFAOYSA-N 1 3 370.545 2.538 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000299319845 511591657 /nfs/dbraw/zinc/59/16/57/511591657.db2.gz NTQVMWMTZBBLQI-APWZRJJASA-N 1 3 365.493 2.881 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000299319845 511591662 /nfs/dbraw/zinc/59/16/62/511591662.db2.gz NTQVMWMTZBBLQI-APWZRJJASA-N 1 3 365.493 2.881 20 0 FFADHO CC[NH+](CC)CCCN[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000299350330 511602539 /nfs/dbraw/zinc/60/25/39/511602539.db2.gz NNSQBXHTTNBMKR-OAHLLOKOSA-N 1 3 351.491 2.742 20 0 FFADHO CCN(CC)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000299350330 511602542 /nfs/dbraw/zinc/60/25/42/511602542.db2.gz NNSQBXHTTNBMKR-OAHLLOKOSA-N 1 3 351.491 2.742 20 0 FFADHO CO[C@@H](Cc1ccccc1)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000296225409 511663656 /nfs/dbraw/zinc/66/36/56/511663656.db2.gz HBYKNEPWGOYAID-QFIPXVFZSA-N 1 3 359.558 2.735 20 0 FFADHO CN1CCC(Oc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)CC1 ZINC000284319071 511681936 /nfs/dbraw/zinc/68/19/36/511681936.db2.gz JYBVSCLNDGGYSA-UHFFFAOYSA-N 1 3 360.498 2.935 20 0 FFADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)OCCO2 ZINC000363786281 511767332 /nfs/dbraw/zinc/76/73/32/511767332.db2.gz RAUAYCYJTCSZBB-HKUYNNGSSA-N 1 3 359.514 2.667 20 0 FFADHO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000311170481 511774952 /nfs/dbraw/zinc/77/49/52/511774952.db2.gz SLBKAXLDIYEOIU-LJQANCHMSA-N 1 3 358.507 2.702 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COCc1ccccc1F ZINC000312506693 511783659 /nfs/dbraw/zinc/78/36/59/511783659.db2.gz RJEGAGYLIJVZEL-TZIWHRDSSA-N 1 3 372.484 2.815 20 0 FFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1F ZINC000312506693 511783666 /nfs/dbraw/zinc/78/36/66/511783666.db2.gz RJEGAGYLIJVZEL-TZIWHRDSSA-N 1 3 372.484 2.815 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000366034832 511799705 /nfs/dbraw/zinc/79/97/05/511799705.db2.gz SOQGBZRQSZPHJV-FQEVSTJZSA-N 1 3 366.594 2.516 20 0 FFADHO Cc1c([C@H](C)N[C@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccc(C)cc1 ZINC000274655056 511899723 /nfs/dbraw/zinc/89/97/23/511899723.db2.gz UEGUDLHADSRORK-MSOLQXFVSA-N 1 3 370.545 2.561 20 0 FFADHO COc1cc(-c2noc(C34CCCN3CCC4)n2)ccc1OCC[NH+](C)C ZINC000351193963 511978259 /nfs/dbraw/zinc/97/82/59/511978259.db2.gz BZKFGGMUGFGKIY-UHFFFAOYSA-N 1 3 372.469 2.771 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000293631605 512033286 /nfs/dbraw/zinc/03/32/86/512033286.db2.gz GNSKJPSJDZHLAC-INIZCTEOSA-N 1 3 353.532 2.511 20 0 FFADHO CO[C@]1(C)CCCN(CC2(C[N@@H+]3CCC[C@@](C)(OC)CC3)COC2)CC1 ZINC000366467558 512038889 /nfs/dbraw/zinc/03/88/89/512038889.db2.gz AXQIVMKGZNFNRL-WOJBJXKFSA-N 1 3 368.562 2.785 20 0 FFADHO CO[C@]1(C)CCCN(CC2(C[N@H+]3CCC[C@@](C)(OC)CC3)COC2)CC1 ZINC000366467558 512038895 /nfs/dbraw/zinc/03/88/95/512038895.db2.gz AXQIVMKGZNFNRL-WOJBJXKFSA-N 1 3 368.562 2.785 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000293842612 512096241 /nfs/dbraw/zinc/09/62/41/512096241.db2.gz COJOHTGCIBJWBS-QFIPXVFZSA-N 1 3 373.541 2.965 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000411476242 512654187 /nfs/dbraw/zinc/65/41/87/512654187.db2.gz PDNMWLTUFBOEBK-KRWDZBQOSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)N1CCOCC1 ZINC000411478228 512655008 /nfs/dbraw/zinc/65/50/08/512655008.db2.gz XTYOFPCLYNFHKF-OAQYLSRUSA-N 1 3 373.541 2.646 20 0 FFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114418 512914670 /nfs/dbraw/zinc/91/46/70/512914670.db2.gz GOCFSWOKWDEFKQ-GXTWGEPZSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114418 512914674 /nfs/dbraw/zinc/91/46/74/512914674.db2.gz GOCFSWOKWDEFKQ-GXTWGEPZSA-N 1 3 359.297 2.807 20 0 FFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1c(Cl)cccc1Cl ZINC000391114418 512914678 /nfs/dbraw/zinc/91/46/78/512914678.db2.gz GOCFSWOKWDEFKQ-GXTWGEPZSA-N 1 3 359.297 2.807 20 0 FFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412056443 512934354 /nfs/dbraw/zinc/93/43/54/512934354.db2.gz STFJGPQRRNGXMS-SOLBZPMBSA-N 1 3 353.576 2.583 20 0 FFADHO CN(c1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(C)CC1 ZINC000370457304 512943597 /nfs/dbraw/zinc/94/35/97/512943597.db2.gz OSATUDGITZPHDY-CTNGQTDRSA-N 1 3 356.558 2.933 20 0 FFADHO CN(c1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCN(C)CC1 ZINC000370457304 512943601 /nfs/dbraw/zinc/94/36/01/512943601.db2.gz OSATUDGITZPHDY-CTNGQTDRSA-N 1 3 356.558 2.933 20 0 FFADHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000397506643 512946091 /nfs/dbraw/zinc/94/60/91/512946091.db2.gz JKNIPEHJXYASNV-VAMGGRTRSA-N 1 3 358.526 2.807 20 0 FFADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397488907 512946660 /nfs/dbraw/zinc/94/66/60/512946660.db2.gz GGZVAFJKPZUXQL-SFHVURJKSA-N 1 3 354.494 2.940 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000370534525 512983525 /nfs/dbraw/zinc/98/35/25/512983525.db2.gz UIZZPSDPTUTEKF-FQEVSTJZSA-N 1 3 365.562 2.789 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000370534525 512983527 /nfs/dbraw/zinc/98/35/27/512983527.db2.gz UIZZPSDPTUTEKF-FQEVSTJZSA-N 1 3 365.562 2.789 20 0 FFADHO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1OC ZINC000370624029 513020009 /nfs/dbraw/zinc/02/00/09/513020009.db2.gz FXAVQBHWAWGREH-IAGOWNOFSA-N 1 3 361.530 2.831 20 0 FFADHO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370709451 513064104 /nfs/dbraw/zinc/06/41/04/513064104.db2.gz JMSFOJWVJRKLQM-OXQOHEQNSA-N 1 3 371.504 2.674 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370709451 513064107 /nfs/dbraw/zinc/06/41/07/513064107.db2.gz JMSFOJWVJRKLQM-OXQOHEQNSA-N 1 3 371.504 2.674 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000412419459 513069553 /nfs/dbraw/zinc/06/95/53/513069553.db2.gz PYCJFCYROJXDDR-MRXNPFEDSA-N 1 3 351.466 2.969 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000412419459 513069556 /nfs/dbraw/zinc/06/95/56/513069556.db2.gz PYCJFCYROJXDDR-MRXNPFEDSA-N 1 3 351.466 2.969 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372880222 513087468 /nfs/dbraw/zinc/08/74/68/513087468.db2.gz IJUQKDVFLYISKC-RTBURBONSA-N 1 3 358.530 2.823 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000372880222 513087469 /nfs/dbraw/zinc/08/74/69/513087469.db2.gz IJUQKDVFLYISKC-RTBURBONSA-N 1 3 358.530 2.823 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2(N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772590 513093180 /nfs/dbraw/zinc/09/31/80/513093180.db2.gz LJXALMXCWZLCNU-DZGCQCFKSA-N 1 3 355.404 2.696 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)C2(N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772590 513093183 /nfs/dbraw/zinc/09/31/83/513093183.db2.gz LJXALMXCWZLCNU-DZGCQCFKSA-N 1 3 355.404 2.696 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccsc1 ZINC000445879125 513136184 /nfs/dbraw/zinc/13/61/84/513136184.db2.gz XXHZAUAYRPAYQC-MRXNPFEDSA-N 1 3 352.548 2.915 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417675942 513154241 /nfs/dbraw/zinc/15/42/41/513154241.db2.gz DAZFHFBOELWFRK-UZLBHIALSA-N 1 3 356.514 2.748 20 0 FFADHO CCc1ccc2[nH+]ccc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)c2c1 ZINC000450392986 513173321 /nfs/dbraw/zinc/17/33/21/513173321.db2.gz PKYWSLGUWSIONZ-HXUWFJFHSA-N 1 3 352.482 2.540 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433912161 513183230 /nfs/dbraw/zinc/18/32/30/513183230.db2.gz MGOUHARORIHLEM-NTDBWNAOSA-N 1 3 350.551 2.669 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433912161 513183234 /nfs/dbraw/zinc/18/32/34/513183234.db2.gz MGOUHARORIHLEM-NTDBWNAOSA-N 1 3 350.551 2.669 20 0 FFADHO C[NH2+]CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417751652 513194894 /nfs/dbraw/zinc/19/48/94/513194894.db2.gz ZFRORTHRIPEJMP-HOCLYGCPSA-N 1 3 372.435 2.607 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000433951415 513195352 /nfs/dbraw/zinc/19/53/52/513195352.db2.gz DBODNDZJWNEKFW-ICSRJNTNSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000433951415 513195355 /nfs/dbraw/zinc/19/53/55/513195355.db2.gz DBODNDZJWNEKFW-ICSRJNTNSA-N 1 3 356.514 2.577 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417828514 513225073 /nfs/dbraw/zinc/22/50/73/513225073.db2.gz QGRKERGXYZSHLB-SXLOBPIMSA-N 1 3 360.546 2.912 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)CN1Cc1ccccc1 ZINC000417878931 513250228 /nfs/dbraw/zinc/25/02/28/513250228.db2.gz QYACYEXSWXRQRK-NQIIRXRSSA-N 1 3 366.509 2.820 20 0 FFADHO CN(C)C(=O)c1ccccc1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000417877196 513250961 /nfs/dbraw/zinc/25/09/61/513250961.db2.gz NRRREEWFYZWICU-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO CN1CC[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000417933326 513285677 /nfs/dbraw/zinc/28/56/77/513285677.db2.gz DNLITEHURRPVST-RTWAWAEBSA-N 1 3 366.509 2.992 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC1 ZINC000429130060 513286598 /nfs/dbraw/zinc/28/65/98/513286598.db2.gz BUPOYZZBARWZOO-MRXNPFEDSA-N 1 3 364.559 2.744 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000417935340 513287173 /nfs/dbraw/zinc/28/71/73/513287173.db2.gz QSMRMUKKEMSFCA-TXPKVOOTSA-N 1 3 359.518 2.518 20 0 FFADHO CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000446622679 513298234 /nfs/dbraw/zinc/29/82/34/513298234.db2.gz GNBOWOJRWWAXIJ-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[C@@H]1c1ccccc1 ZINC000417949014 513299171 /nfs/dbraw/zinc/29/91/71/513299171.db2.gz UKKWUCWHJMYFDA-UFYCRDLUSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417974339 513312146 /nfs/dbraw/zinc/31/21/46/513312146.db2.gz DEQNAZTVPYFPSN-YLJYHZDGSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNCCN1C(=O)c2ccccc2C1=O ZINC000446809292 513341281 /nfs/dbraw/zinc/34/12/81/513341281.db2.gz HXIUKILNICJDDB-UHFFFAOYSA-N 1 3 365.477 2.913 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNCCN1C(=O)c2ccccc2C1=O ZINC000446809292 513341286 /nfs/dbraw/zinc/34/12/86/513341286.db2.gz HXIUKILNICJDDB-UHFFFAOYSA-N 1 3 365.477 2.913 20 0 FFADHO C[C@H](NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000418129323 513383292 /nfs/dbraw/zinc/38/32/92/513383292.db2.gz BKZVYYLBSULVIY-PWIZWCRZSA-N 1 3 358.530 2.584 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000418132585 513385334 /nfs/dbraw/zinc/38/53/34/513385334.db2.gz DURBXXBLOBFWFY-UWHLTILDSA-N 1 3 370.541 2.584 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418151792 513393265 /nfs/dbraw/zinc/39/32/65/513393265.db2.gz GBVSVGFGEKZCRI-RBUKOAKNSA-N 1 3 360.546 2.960 20 0 FFADHO C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418161601 513398039 /nfs/dbraw/zinc/39/80/39/513398039.db2.gz BZWPEKIYMRIWQB-DVWBAYGPSA-N 1 3 366.509 2.814 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)c1ccc(Cl)cc1 ZINC000418176403 513406647 /nfs/dbraw/zinc/40/66/47/513406647.db2.gz GWPPTPCLHMGESV-JCYILVPMSA-N 1 3 352.910 2.854 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000418179350 513407514 /nfs/dbraw/zinc/40/75/14/513407514.db2.gz ALAIMHVHFHOBRB-SUMDDJOVSA-N 1 3 362.518 2.516 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000418184739 513410057 /nfs/dbraw/zinc/41/00/57/513410057.db2.gz QHZOYQHBSAAYGP-RYBCJPSJSA-N 1 3 358.530 2.911 20 0 FFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N(C)C ZINC000418187564 513411434 /nfs/dbraw/zinc/41/14/34/513411434.db2.gz STJSPNYLKHFBLI-FTEYMNFISA-N 1 3 358.530 2.627 20 0 FFADHO C[C@@H](C[NH3+])CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415805718 513430815 /nfs/dbraw/zinc/43/08/15/513430815.db2.gz NEGDEDRAZOZOTJ-LBPRGKRZSA-N 1 3 354.882 2.529 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000418230578 513431874 /nfs/dbraw/zinc/43/18/74/513431874.db2.gz JPQIKRIIMZWPNJ-WBAXXEDZSA-N 1 3 364.559 2.923 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000418229932 513432131 /nfs/dbraw/zinc/43/21/31/513432131.db2.gz IIYBROCNOWIBGS-WMLDXEAASA-N 1 3 352.548 2.828 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418234045 513433625 /nfs/dbraw/zinc/43/36/25/513433625.db2.gz PPSYLTSEMCYPMD-ZVZYQTTQSA-N 1 3 364.559 2.780 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000418236170 513435054 /nfs/dbraw/zinc/43/50/54/513435054.db2.gz UKHFZHKLRYWWJS-RDJZCZTQSA-N 1 3 352.548 2.684 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)CCC1 ZINC000418240931 513437866 /nfs/dbraw/zinc/43/78/66/513437866.db2.gz JIMMWANRQDWORA-LJQANCHMSA-N 1 3 358.530 2.812 20 0 FFADHO [NH3+]CCNC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418295730 513454891 /nfs/dbraw/zinc/45/48/91/513454891.db2.gz KIJPUVVNWIWXLC-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO CC[NH2+]CCNC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418319773 513460462 /nfs/dbraw/zinc/46/04/62/513460462.db2.gz RRXZDYZBMCIIOR-FQEVSTJZSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000418336988 513471222 /nfs/dbraw/zinc/47/12/22/513471222.db2.gz IPZDFIHAAOPYLA-NVXWUHKLSA-N 1 3 366.937 2.801 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415940360 513489998 /nfs/dbraw/zinc/48/99/98/513489998.db2.gz SYSASWRNOPBYJF-UHFFFAOYSA-N 1 3 362.499 2.681 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415942624 513491389 /nfs/dbraw/zinc/49/13/89/513491389.db2.gz BJFYGYTWUVBCHR-UZLBHIALSA-N 1 3 368.481 2.809 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418415640 513499904 /nfs/dbraw/zinc/49/99/04/513499904.db2.gz SSBTTYPJLREGEH-MAUKXSAKSA-N 1 3 368.472 2.556 20 0 FFADHO C[NH2+]Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000415980854 513514942 /nfs/dbraw/zinc/51/49/42/513514942.db2.gz APTBOAHFZZYTCK-UHFFFAOYSA-N 1 3 352.482 2.976 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415986318 513517964 /nfs/dbraw/zinc/51/79/64/513517964.db2.gz AEJZHHALHHUKDB-HOTGVXAUSA-N 1 3 374.451 2.722 20 0 FFADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NCC1C[NH2+]C1 ZINC000418480605 513527032 /nfs/dbraw/zinc/52/70/32/513527032.db2.gz BSYWQIFUHNTFNJ-OAQYLSRUSA-N 1 3 372.557 2.581 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000441281512 513527715 /nfs/dbraw/zinc/52/77/15/513527715.db2.gz FSTAKJOVRPNLQD-BPAFIMBUSA-N 1 3 358.530 2.776 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000441281512 513527722 /nfs/dbraw/zinc/52/77/22/513527722.db2.gz FSTAKJOVRPNLQD-BPAFIMBUSA-N 1 3 358.530 2.776 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000416000332 513531347 /nfs/dbraw/zinc/53/13/47/513531347.db2.gz XCLFDSISDQRABJ-UHFFFAOYSA-N 1 3 360.502 2.645 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416011108 513537780 /nfs/dbraw/zinc/53/77/80/513537780.db2.gz RAXKAAOFLCQRLR-XJKSGUPXSA-N 1 3 372.435 2.791 20 0 FFADHO CC1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]CC1 ZINC000418513587 513539517 /nfs/dbraw/zinc/53/95/17/513539517.db2.gz GGMAABCTYZOTOG-PMACEKPBSA-N 1 3 370.541 2.540 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418517712 513541728 /nfs/dbraw/zinc/54/17/28/513541728.db2.gz LJXYMFUQOFWXKQ-UHFFFAOYSA-N 1 3 366.937 2.803 20 0 FFADHO CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418522737 513543544 /nfs/dbraw/zinc/54/35/44/513543544.db2.gz TYAIJXIXMDGYSD-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)N(C)C ZINC000413261072 513553702 /nfs/dbraw/zinc/55/37/02/513553702.db2.gz IGIFVEHCXWXFKC-INIZCTEOSA-N 1 3 359.436 2.936 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418603594 513573892 /nfs/dbraw/zinc/57/38/92/513573892.db2.gz PGRCXGARFKVZRP-UHFFFAOYSA-N 1 3 364.921 2.723 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418625567 513581123 /nfs/dbraw/zinc/58/11/23/513581123.db2.gz QNTDSTGOOFZJMQ-GOSISDBHSA-N 1 3 366.937 2.931 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNCCN2C(=O)c3ccccc3C2=O)c1 ZINC000447819006 513581838 /nfs/dbraw/zinc/58/18/38/513581838.db2.gz VXNNZSSAUGULHR-UHFFFAOYSA-N 1 3 365.477 2.914 20 0 FFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCN1C(=O)c2ccccc2C1=O ZINC000447820694 513583435 /nfs/dbraw/zinc/58/34/35/513583435.db2.gz ICNSMIROQRAPAM-VQIMIIECSA-N 1 3 357.498 2.773 20 0 FFADHO C[C@@H](CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C[NH+]1CCCC1 ZINC000425473356 513584399 /nfs/dbraw/zinc/58/43/99/513584399.db2.gz JWYWIMCBGKUUJG-SESVDKBCSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000430238912 513594528 /nfs/dbraw/zinc/59/45/28/513594528.db2.gz LLSDZRSUYULHMX-UNMCSNQZSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000430238912 513594534 /nfs/dbraw/zinc/59/45/34/513594534.db2.gz LLSDZRSUYULHMX-UNMCSNQZSA-N 1 3 370.541 2.919 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000418657094 513597859 /nfs/dbraw/zinc/59/78/59/513597859.db2.gz UCOIMTRGWUTCPP-WSTZPKSXSA-N 1 3 358.530 2.906 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000418657094 513597864 /nfs/dbraw/zinc/59/78/64/513597864.db2.gz UCOIMTRGWUTCPP-WSTZPKSXSA-N 1 3 358.530 2.906 20 0 FFADHO CN(C)C1(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)Cc2ccccc2C1 ZINC000416154240 513605810 /nfs/dbraw/zinc/60/58/10/513605810.db2.gz IQEUTUSQEUOGBK-NRFANRHFSA-N 1 3 365.521 2.895 20 0 FFADHO CN1CC[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000416176030 513622673 /nfs/dbraw/zinc/62/26/73/513622673.db2.gz CPJNUURKTDOYQO-FYYLOGMGSA-N 1 3 363.505 2.996 20 0 FFADHO CN1CC[C@@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)[C@H]1c1ccccc1 ZINC000416176030 513622678 /nfs/dbraw/zinc/62/26/78/513622678.db2.gz CPJNUURKTDOYQO-FYYLOGMGSA-N 1 3 363.505 2.996 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccco1 ZINC000422198549 513635059 /nfs/dbraw/zinc/63/50/59/513635059.db2.gz HHWDCLTZKXBBNT-ZGRYLRDCSA-N 1 3 350.507 2.881 20 0 FFADHO C[C@@H]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000418771323 513650411 /nfs/dbraw/zinc/65/04/11/513650411.db2.gz OZRFLUHONRIYQE-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418780249 513655379 /nfs/dbraw/zinc/65/53/79/513655379.db2.gz BPONJWHEQQLSHV-XRXFAXGQSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418791185 513658377 /nfs/dbraw/zinc/65/83/77/513658377.db2.gz NNPJJUOOCOFZOV-YOEHRIQHSA-N 1 3 352.910 2.541 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C(C)C)s1 ZINC000448139048 513684082 /nfs/dbraw/zinc/68/40/82/513684082.db2.gz XBMBDMSMXYHCIQ-OAHLLOKOSA-N 1 3 352.548 2.755 20 0 FFADHO C[C@](C[NH3+])(NCCC(=O)Nc1ccc(Br)cc1F)C1CC1 ZINC000430575459 513693513 /nfs/dbraw/zinc/69/35/13/513693513.db2.gz LERQJBKRXSAGSL-OAHLLOKOSA-N 1 3 358.255 2.634 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448209755 513707721 /nfs/dbraw/zinc/70/77/21/513707721.db2.gz UGICKQSXFIWHLP-OALUTQOASA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448209755 513707729 /nfs/dbraw/zinc/70/77/29/513707729.db2.gz UGICKQSXFIWHLP-OALUTQOASA-N 1 3 352.567 2.918 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000448255716 513721388 /nfs/dbraw/zinc/72/13/88/513721388.db2.gz KAZQMTSPXCCFRI-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H](N)c1ccccc1 ZINC000430797619 513751125 /nfs/dbraw/zinc/75/11/25/513751125.db2.gz FFANCNZKPULMAG-UZLBHIALSA-N 1 3 351.494 2.538 20 0 FFADHO C[C@@H]1CN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430937549 513787722 /nfs/dbraw/zinc/78/77/22/513787722.db2.gz CPSMGZSWQQKTGT-YLJYHZDGSA-N 1 3 351.494 2.951 20 0 FFADHO COc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000436270979 513813187 /nfs/dbraw/zinc/81/31/87/513813187.db2.gz CAVNEPDMZXQXNX-UHFFFAOYSA-N 1 3 368.525 2.778 20 0 FFADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057491 513855067 /nfs/dbraw/zinc/85/50/67/513855067.db2.gz GSLYNZZGVVICGK-CHWSQXEVSA-N 1 3 354.292 2.837 20 0 FFADHO [NH3+]CC[C@H]1CCCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000443056806 513855662 /nfs/dbraw/zinc/85/56/62/513855662.db2.gz DDYWUPUKPREUIO-CZUORRHYSA-N 1 3 371.403 2.751 20 0 FFADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000443065758 513861030 /nfs/dbraw/zinc/86/10/30/513861030.db2.gz CQXKUVHMKGOIEC-CYBMUJFWSA-N 1 3 358.313 2.713 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422700844 513906392 /nfs/dbraw/zinc/90/63/92/513906392.db2.gz CKISCRLQXSLZNJ-VBNZEHGJSA-N 1 3 368.403 2.733 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000422715808 513909728 /nfs/dbraw/zinc/90/97/28/513909728.db2.gz MSYDOSHNJZXPSP-BTYIYWSLSA-N 1 3 372.488 2.712 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000422722581 513914555 /nfs/dbraw/zinc/91/45/55/513914555.db2.gz YKJXTCPSDCSVKR-MTNREXPMSA-N 1 3 371.500 2.747 20 0 FFADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422722010 513914625 /nfs/dbraw/zinc/91/46/25/513914625.db2.gz WPEDJRQUYMXFNK-IPMKNSEASA-N 1 3 350.528 2.751 20 0 FFADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422735101 513917949 /nfs/dbraw/zinc/91/79/49/513917949.db2.gz UMONGWHXZBWLHK-MJGOQNOKSA-N 1 3 353.470 2.620 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422763593 513925151 /nfs/dbraw/zinc/92/51/51/513925151.db2.gz OWYFIYTXXSRTTN-HSQYWUDLSA-N 1 3 371.500 2.747 20 0 FFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422765136 513925805 /nfs/dbraw/zinc/92/58/05/513925805.db2.gz KMNZOVDBJVVDAR-MOPGFXCFSA-N 1 3 365.543 2.611 20 0 FFADHO Brc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422768782 513926778 /nfs/dbraw/zinc/92/67/78/513926778.db2.gz UXZSOLDDGAMXIA-IXDOHACOSA-N 1 3 353.304 2.738 20 0 FFADHO Cc1cc(F)ccc1N1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422771694 513927834 /nfs/dbraw/zinc/92/78/34/513927834.db2.gz YFTIYUQGKGVYPF-VNTMZGSJSA-N 1 3 361.505 2.850 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443309616 513929588 /nfs/dbraw/zinc/92/95/88/513929588.db2.gz HDNWZMHNEYEJNY-XQBPLPMBSA-N 1 3 353.510 2.642 20 0 FFADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443309616 513929592 /nfs/dbraw/zinc/92/95/92/513929592.db2.gz HDNWZMHNEYEJNY-XQBPLPMBSA-N 1 3 353.510 2.642 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422779865 513930724 /nfs/dbraw/zinc/93/07/24/513930724.db2.gz JLDPPNFCKJUBSU-UHOSZYNNSA-N 1 3 351.922 2.820 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422779865 513930726 /nfs/dbraw/zinc/93/07/26/513930726.db2.gz JLDPPNFCKJUBSU-UHOSZYNNSA-N 1 3 351.922 2.820 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422787403 513931212 /nfs/dbraw/zinc/93/12/12/513931212.db2.gz QFSADXMTOCZBEX-ZOCIIQOWSA-N 1 3 351.922 2.646 20 0 FFADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000422798364 513935530 /nfs/dbraw/zinc/93/55/30/513935530.db2.gz QUGBYUPIITWBAT-CZPYZCIJSA-N 1 3 357.292 2.558 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCN(c2ccccc2)CC1 ZINC000422809345 513938400 /nfs/dbraw/zinc/93/84/00/513938400.db2.gz MATAYEQFDJEFGX-NZQKXSOJSA-N 1 3 366.553 2.747 20 0 FFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000422809345 513938408 /nfs/dbraw/zinc/93/84/08/513938408.db2.gz MATAYEQFDJEFGX-NZQKXSOJSA-N 1 3 366.553 2.747 20 0 FFADHO [NH3+][C@@H]1CCC[C@H]1NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000422826028 513943810 /nfs/dbraw/zinc/94/38/10/513943810.db2.gz BKQZYAZXANPBIR-QZTJIDSGSA-N 1 3 370.463 2.687 20 0 FFADHO N[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000422826028 513943815 /nfs/dbraw/zinc/94/38/15/513943815.db2.gz BKQZYAZXANPBIR-QZTJIDSGSA-N 1 3 370.463 2.687 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)NCCN2CCC(C)CC2)CC1 ZINC000431625161 513949498 /nfs/dbraw/zinc/94/94/98/513949498.db2.gz YIPVXQISGLZJHO-UHFFFAOYSA-N 1 3 352.567 2.776 20 0 FFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422880269 513962865 /nfs/dbraw/zinc/96/28/65/513962865.db2.gz NUWQJPTYFNTFCQ-GOEBONIOSA-N 1 3 368.319 2.676 20 0 FFADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416791823 513968455 /nfs/dbraw/zinc/96/84/55/513968455.db2.gz KHLOPFKTJRSVJY-UHFFFAOYSA-N 1 3 366.509 2.822 20 0 FFADHO CN(C(=O)NC1CCN(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416793162 513970099 /nfs/dbraw/zinc/97/00/99/513970099.db2.gz MZWVMLZZJGLWQX-YOFSQIOKSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422902610 513972428 /nfs/dbraw/zinc/97/24/28/513972428.db2.gz NEIRFBSYFUZDFX-DNVFCKCGSA-N 1 3 367.537 2.955 20 0 FFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422902610 513972433 /nfs/dbraw/zinc/97/24/33/513972433.db2.gz NEIRFBSYFUZDFX-DNVFCKCGSA-N 1 3 367.537 2.955 20 0 FFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416801103 513972733 /nfs/dbraw/zinc/97/27/33/513972733.db2.gz GNZVIQJYNVHQTL-UXHICEINSA-N 1 3 354.498 2.851 20 0 FFADHO COc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416808862 513975804 /nfs/dbraw/zinc/97/58/04/513975804.db2.gz AKCNWDGWJVPPTL-PXNSSMCTSA-N 1 3 374.529 2.521 20 0 FFADHO Cc1ccoc1C(=O)NCCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422927597 513978927 /nfs/dbraw/zinc/97/89/27/513978927.db2.gz ZERIXJZXRNKIAD-LAUBAEHRSA-N 1 3 369.465 2.553 20 0 FFADHO FC(F)(F)Oc1ccccc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422930379 513979901 /nfs/dbraw/zinc/97/99/01/513979901.db2.gz TYEGXHSAJBEKRW-HRCADAONSA-N 1 3 358.404 2.874 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)N(C)C)cc1 ZINC000416831788 513988293 /nfs/dbraw/zinc/98/82/93/513988293.db2.gz BGRGFVSYCWUBFX-ACRUOGEOSA-N 1 3 372.557 2.883 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000416834425 513990154 /nfs/dbraw/zinc/99/01/54/513990154.db2.gz XWWDJSISKNECDS-VQIMIIECSA-N 1 3 362.518 2.649 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000416847689 513999893 /nfs/dbraw/zinc/99/98/93/513999893.db2.gz VXBXOWURGKWMJE-HBMCJLEFSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCC(F)(F)CC1 ZINC000414180989 513999880 /nfs/dbraw/zinc/99/98/80/513999880.db2.gz BOBDCAOOZNWJQQ-INIZCTEOSA-N 1 3 359.505 2.587 20 0 FFADHO C[C@H](CCc1ccccc1F)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414184214 514002131 /nfs/dbraw/zinc/00/21/31/514002131.db2.gz FNPWPMSTEWWPQO-GOSISDBHSA-N 1 3 363.521 2.533 20 0 FFADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CCCO2 ZINC000414193377 514006463 /nfs/dbraw/zinc/00/64/63/514006463.db2.gz MRCAJERENGTWMP-FQEVSTJZSA-N 1 3 373.541 2.595 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)(N2CCOCC2)CC1 ZINC000414200976 514009488 /nfs/dbraw/zinc/00/94/88/514009488.db2.gz SESVBQYXIIQGEE-HXUWFJFHSA-N 1 3 357.542 2.795 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074542 514028402 /nfs/dbraw/zinc/02/84/02/514028402.db2.gz MAMBETYBMNURPC-CRFBAAHOSA-N 1 3 366.427 2.803 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423076742 514031675 /nfs/dbraw/zinc/03/16/75/514031675.db2.gz RXSZVVZYOANCGQ-ZOBUZTSGSA-N 1 3 355.320 2.707 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414291016 514035481 /nfs/dbraw/zinc/03/54/81/514035481.db2.gz UBKZGKLBMLYZEH-UHFFFAOYSA-N 1 3 373.520 2.827 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416901583 514035973 /nfs/dbraw/zinc/03/59/73/514035973.db2.gz AJZXQYMGYKPEPN-ICSRJNTNSA-N 1 3 374.529 2.614 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)[NH2+]C1CCNCC1 ZINC000423095186 514038640 /nfs/dbraw/zinc/03/86/40/514038640.db2.gz LNLPFRUMNUNSCH-GFCCVEGCSA-N 1 3 358.267 2.954 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)NC1CC[NH2+]CC1 ZINC000423095186 514038650 /nfs/dbraw/zinc/03/86/50/514038650.db2.gz LNLPFRUMNUNSCH-GFCCVEGCSA-N 1 3 358.267 2.954 20 0 FFADHO OC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCN(Cc2ccccc2)CC1 ZINC000414300477 514039717 /nfs/dbraw/zinc/03/97/17/514039717.db2.gz JAAVJNCYURSKEL-VAMGGRTRSA-N 1 3 356.510 2.561 20 0 FFADHO C[C@](CO)(CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423115325 514046750 /nfs/dbraw/zinc/04/67/50/514046750.db2.gz XUCDZNMRWJTHQD-NNWRFLSQSA-N 1 3 352.478 2.782 20 0 FFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CS(C)(=O)=O)CCC2)CC1 ZINC000414323568 514047573 /nfs/dbraw/zinc/04/75/73/514047573.db2.gz HLVIASOJQLHWEW-FUHWJXTLSA-N 1 3 356.576 2.834 20 0 FFADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000423125535 514052717 /nfs/dbraw/zinc/05/27/17/514052717.db2.gz AAASVBGDDMRYEH-FCEUIQTBSA-N 1 3 357.542 2.645 20 0 FFADHO C[C@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CN1CCCCC1 ZINC000449085971 514066341 /nfs/dbraw/zinc/06/63/41/514066341.db2.gz ARRQPAJBTGJPCO-IAGOWNOFSA-N 1 3 352.544 2.905 20 0 FFADHO C[C@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000449085971 514066348 /nfs/dbraw/zinc/06/63/48/514066348.db2.gz ARRQPAJBTGJPCO-IAGOWNOFSA-N 1 3 352.544 2.905 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CCC(O)CC2)CC1 ZINC000449095414 514070641 /nfs/dbraw/zinc/07/06/41/514070641.db2.gz YHULBLARDFLQRL-LJQANCHMSA-N 1 3 359.558 2.518 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000414374781 514074235 /nfs/dbraw/zinc/07/42/35/514074235.db2.gz DHZBTYSNYFNVFY-YRWFTTLQSA-N 1 3 355.530 2.732 20 0 FFADHO COc1ccc([C@@H](NCCCNCc2cccnc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423187338 514074789 /nfs/dbraw/zinc/07/47/89/514074789.db2.gz MNFYLRKQXCWGMB-NHCUHLMSSA-N 1 3 354.498 2.653 20 0 FFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCNC(C)(C)C3)cc2)CC1 ZINC000416973238 514079135 /nfs/dbraw/zinc/07/91/35/514079135.db2.gz JNYYPFDGPRUDOP-UHFFFAOYSA-N 1 3 358.530 2.812 20 0 FFADHO O=C(NC[C@@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1)[C@@H]1CCC[NH2+]1 ZINC000420309112 514083428 /nfs/dbraw/zinc/08/34/28/514083428.db2.gz DKPPPUJDWXZANF-YSSFQJQWSA-N 1 3 359.489 2.783 20 0 FFADHO CCc1ncc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000414393689 514089434 /nfs/dbraw/zinc/08/94/34/514089434.db2.gz DVBJPIBRDNPFGP-UHFFFAOYSA-N 1 3 359.562 2.667 20 0 FFADHO C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000420338838 514099368 /nfs/dbraw/zinc/09/93/68/514099368.db2.gz OBWRDLNWKMDFFF-HBGVWJBISA-N 1 3 355.526 2.674 20 0 FFADHO Cc1ccc(F)c(N2CCC[C@H](N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)C2=O)c1 ZINC000420334847 514099856 /nfs/dbraw/zinc/09/98/56/514099856.db2.gz ULVDKOCMCZZLDR-LNLFQRSKSA-N 1 3 359.489 2.951 20 0 FFADHO C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cc2ccccc2o1 ZINC000420343849 514101832 /nfs/dbraw/zinc/10/18/32/514101832.db2.gz RVFAONUMSGBFRP-ATLSCFEFSA-N 1 3 355.482 2.930 20 0 FFADHO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343852 514102067 /nfs/dbraw/zinc/10/20/67/514102067.db2.gz RVFAONUMSGBFRP-CIRFHOKZSA-N 1 3 355.482 2.930 20 0 FFADHO O=C1[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000420345108 514103309 /nfs/dbraw/zinc/10/33/09/514103309.db2.gz VGXXLTFQJAKPCI-IIYDPXPESA-N 1 3 351.853 2.516 20 0 FFADHO CS(=O)(=O)c1cccc([C@H](NCCCC[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423315372 514107409 /nfs/dbraw/zinc/10/74/09/514107409.db2.gz AOEHZBSLMHTJJU-SFHVURJKSA-N 1 3 368.449 2.786 20 0 FFADHO C[NH2+]CCc1ccccc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000423340843 514112860 /nfs/dbraw/zinc/11/28/60/514112860.db2.gz XQKGRYBAHPIQRL-UHFFFAOYSA-N 1 3 361.555 2.540 20 0 FFADHO NCc1cn([C@H]2CCC[N@H+](CCCOc3cccc4ccccc43)C2)nn1 ZINC000420370754 514114248 /nfs/dbraw/zinc/11/42/48/514114248.db2.gz CVENTGXXLOOCSD-IBGZPJMESA-N 1 3 365.481 2.996 20 0 FFADHO NCc1cn([C@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)nn1 ZINC000420370754 514114250 /nfs/dbraw/zinc/11/42/50/514114250.db2.gz CVENTGXXLOOCSD-IBGZPJMESA-N 1 3 365.481 2.996 20 0 FFADHO C[NH+](C)CC1(C(=O)NCC2CCN(c3ccncc3)CC2)CCCCC1 ZINC000427101821 514115950 /nfs/dbraw/zinc/11/59/50/514115950.db2.gz QOTOZTZGIBQSDW-UHFFFAOYSA-N 1 3 358.530 2.926 20 0 FFADHO Cc1ccc2c(c1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCCO2 ZINC000423376371 514121851 /nfs/dbraw/zinc/12/18/51/514121851.db2.gz DNCQGMBGDIOQEM-DOTOQJQBSA-N 1 3 357.420 2.634 20 0 FFADHO CCc1nc2c(s1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423391427 514127244 /nfs/dbraw/zinc/12/72/44/514127244.db2.gz PKQFFXYKRLBGJU-AAEUAGOBSA-N 1 3 362.465 2.509 20 0 FFADHO COc1ccc([C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C(C)C)cc1 ZINC000423404273 514131204 /nfs/dbraw/zinc/13/12/04/514131204.db2.gz ZRRAUWWWVYYQAC-SJORKVTESA-N 1 3 359.436 2.818 20 0 FFADHO O=C1c2ccccc2C(=O)N1CCCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420403358 514135532 /nfs/dbraw/zinc/13/55/32/514135532.db2.gz RFGAMYLMPUUKKM-QFBILLFUSA-N 1 3 355.482 2.527 20 0 FFADHO CN1CCO[C@H]([C@@H](NCCC[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000423478318 514149520 /nfs/dbraw/zinc/14/95/20/514149520.db2.gz LBELNOAHPBHJCL-FHWLQOOXSA-N 1 3 351.922 2.834 20 0 FFADHO CC(C)(CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417087241 514161378 /nfs/dbraw/zinc/16/13/78/514161378.db2.gz GVMRGULQWYVOHX-LPHOPBHVSA-N 1 3 358.530 2.640 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449325506 514166167 /nfs/dbraw/zinc/16/61/67/514166167.db2.gz NBOPPDYSFXDCBJ-UHFFFAOYSA-N 1 3 373.520 2.684 20 0 FFADHO O=C1[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccc(F)cc1 ZINC000414534610 514167107 /nfs/dbraw/zinc/16/71/07/514167107.db2.gz VFXHFYIMOMRCCC-IBGZPJMESA-N 1 3 354.429 2.585 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000423549766 514167744 /nfs/dbraw/zinc/16/77/44/514167744.db2.gz IEGDVFIQBXQZTP-SJORKVTESA-N 1 3 355.482 2.716 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000417166912 514204723 /nfs/dbraw/zinc/20/47/23/514204723.db2.gz YVUQVHNPYSXCLZ-UZLBHIALSA-N 1 3 354.498 2.871 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437658230 514204830 /nfs/dbraw/zinc/20/48/30/514204830.db2.gz NMAGUWMXKZROGI-IEBWSBKVSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437658230 514204837 /nfs/dbraw/zinc/20/48/37/514204837.db2.gz NMAGUWMXKZROGI-IEBWSBKVSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000423760047 514221235 /nfs/dbraw/zinc/22/12/35/514221235.db2.gz MVQLIFWXHOXBMC-INIZCTEOSA-N 1 3 356.514 2.792 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000437770782 514231581 /nfs/dbraw/zinc/23/15/81/514231581.db2.gz GNBRIBGDDPJGRJ-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000437770782 514231589 /nfs/dbraw/zinc/23/15/89/514231589.db2.gz GNBRIBGDDPJGRJ-SFHVURJKSA-N 1 3 362.518 2.965 20 0 FFADHO Cc1ccc2cc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc2n1 ZINC000437780298 514233750 /nfs/dbraw/zinc/23/37/50/514233750.db2.gz CQSOHJHISOVSHA-FQEVSTJZSA-N 1 3 356.514 2.725 20 0 FFADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCSC1 ZINC000437783004 514235487 /nfs/dbraw/zinc/23/54/87/514235487.db2.gz ZYBCVGZYSFVIOR-HKUYNNGSSA-N 1 3 368.591 2.520 20 0 FFADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCSC1 ZINC000437783004 514235497 /nfs/dbraw/zinc/23/54/97/514235497.db2.gz ZYBCVGZYSFVIOR-HKUYNNGSSA-N 1 3 368.591 2.520 20 0 FFADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000437791710 514236760 /nfs/dbraw/zinc/23/67/60/514236760.db2.gz GSPJKDXGQXEQLP-UTKZUKDTSA-N 1 3 371.500 2.635 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000417218606 514239720 /nfs/dbraw/zinc/23/97/20/514239720.db2.gz HFJNASACIGUJMZ-VNWQMFHMSA-N 1 3 356.514 2.746 20 0 FFADHO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414684556 514242599 /nfs/dbraw/zinc/24/25/99/514242599.db2.gz VXWPZGVZPOTJIS-PXNSSMCTSA-N 1 3 359.514 2.810 20 0 FFADHO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414684556 514242606 /nfs/dbraw/zinc/24/26/06/514242606.db2.gz VXWPZGVZPOTJIS-PXNSSMCTSA-N 1 3 359.514 2.810 20 0 FFADHO CN(CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1)Cc1ccccc1 ZINC000417231311 514248395 /nfs/dbraw/zinc/24/83/95/514248395.db2.gz NBKCIESGGWNBIR-HXUWFJFHSA-N 1 3 354.498 2.898 20 0 FFADHO CC1CC[NH+](CCc2cccc(NC(=O)C[C@@H]3CSCCN3)c2)CC1 ZINC000423835868 514255144 /nfs/dbraw/zinc/25/51/44/514255144.db2.gz DZTJVTKDYCDTBR-LJQANCHMSA-N 1 3 361.555 2.995 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000423845211 514261304 /nfs/dbraw/zinc/26/13/04/514261304.db2.gz JXOMTJHWGNJWRO-PLMTUMEDSA-N 1 3 356.514 2.503 20 0 FFADHO C[C@H]1C[C@@H](CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000414734863 514263655 /nfs/dbraw/zinc/26/36/55/514263655.db2.gz LHDCILDJVUMADS-GJZGRUSLSA-N 1 3 369.431 2.851 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000423855335 514265804 /nfs/dbraw/zinc/26/58/04/514265804.db2.gz WLUOGKXMRUOESO-GOSISDBHSA-N 1 3 358.530 2.935 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCC([NH3+])(CC)CC)c(C)c2)CC1 ZINC000414756680 514276816 /nfs/dbraw/zinc/27/68/16/514276816.db2.gz VUKKOGFZQAWDNP-UHFFFAOYSA-N 1 3 361.534 2.776 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)N(C)C)cc1 ZINC000417310744 514287845 /nfs/dbraw/zinc/28/78/45/514287845.db2.gz KSUCAIVQXLBDOW-VQTJNVASSA-N 1 3 358.530 2.771 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH3+])CCc2ccccc2)N(C)C)cc1 ZINC000417314180 514290129 /nfs/dbraw/zinc/29/01/29/514290129.db2.gz QUPYMRBAHXBHAB-OAQYLSRUSA-N 1 3 368.525 2.811 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000417316918 514291918 /nfs/dbraw/zinc/29/19/18/514291918.db2.gz VDTVCQXIYMVHLM-QYZOEREBSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)N(C)C)cc1 ZINC000417317173 514292063 /nfs/dbraw/zinc/29/20/63/514292063.db2.gz VXJAPAJJYQSGNT-PWRODBHTSA-N 1 3 366.509 2.734 20 0 FFADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414810437 514303543 /nfs/dbraw/zinc/30/35/43/514303543.db2.gz OAJZZNZJEONILX-AWEZNQCLSA-N 1 3 360.502 2.859 20 0 FFADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414821220 514309827 /nfs/dbraw/zinc/30/98/27/514309827.db2.gz KZTIGRKIOZPZKI-HOTGVXAUSA-N 1 3 374.529 2.662 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)N2CCCC2)cc1 ZINC000417360573 514311938 /nfs/dbraw/zinc/31/19/38/514311938.db2.gz XJYZZAUMIQXOCK-QHAWAJNXSA-N 1 3 370.541 2.773 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1 ZINC000432881274 514312046 /nfs/dbraw/zinc/31/20/46/514312046.db2.gz QNLJQZLHZMJYAL-UHFFFAOYSA-N 1 3 367.559 2.633 20 0 FFADHO CN(C)Cc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000432881274 514312051 /nfs/dbraw/zinc/31/20/51/514312051.db2.gz QNLJQZLHZMJYAL-UHFFFAOYSA-N 1 3 367.559 2.633 20 0 FFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417372683 514319256 /nfs/dbraw/zinc/31/92/56/514319256.db2.gz WHALKKVRBSISIK-CVEARBPZSA-N 1 3 352.548 2.777 20 0 FFADHO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000417375836 514320006 /nfs/dbraw/zinc/32/00/06/514320006.db2.gz CPGGHBUOWRLJRC-QGZVFWFLSA-N 1 3 364.530 2.845 20 0 FFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417374661 514320197 /nfs/dbraw/zinc/32/01/97/514320197.db2.gz YISNZMFXJDPYJE-HOTGVXAUSA-N 1 3 352.548 2.633 20 0 FFADHO COC[C@@]1(CNC2CCN(Cc3ccccc3Cl)CC2)CCC[NH2+]1 ZINC000414944676 514368047 /nfs/dbraw/zinc/36/80/47/514368047.db2.gz OIXOWSXHOASIFU-IBGZPJMESA-N 1 3 351.922 2.663 20 0 FFADHO COC[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCCN1 ZINC000414944676 514368051 /nfs/dbraw/zinc/36/80/51/514368051.db2.gz OIXOWSXHOASIFU-IBGZPJMESA-N 1 3 351.922 2.663 20 0 FFADHO CCOC(=O)c1nn(-c2ccccc2)cc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414961694 514378214 /nfs/dbraw/zinc/37/82/14/514378214.db2.gz BUUWKTGDTVFLEC-KRWDZBQOSA-N 1 3 356.470 2.671 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424125621 514389466 /nfs/dbraw/zinc/38/94/66/514389466.db2.gz AKKOXJOUEFOWRZ-UHFFFAOYSA-N 1 3 355.429 2.515 20 0 FFADHO O=C1CC[C@@H](NCc2cc(C(F)(F)F)ccc2F)[C@H](C2CC[NH2+]CC2)N1 ZINC000414996876 514393581 /nfs/dbraw/zinc/39/35/81/514393581.db2.gz YKHVXDMHXYTLCX-WBVHZDCISA-N 1 3 373.394 2.581 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2cccc(C[N@@H+]3C[C@@H](C)C[C@H](CO)C3)c2)C1 ZINC000420947515 514394541 /nfs/dbraw/zinc/39/45/41/514394541.db2.gz TZHSCOLDWMSXPZ-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)CN(Cc2cccc(C[N@H+]3C[C@@H](C)C[C@H](CO)C3)c2)C1 ZINC000420947515 514394545 /nfs/dbraw/zinc/39/45/45/514394545.db2.gz TZHSCOLDWMSXPZ-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(CN3C[C@@H](C)C[C@H](CO)C3)c2)C1 ZINC000420947515 514394551 /nfs/dbraw/zinc/39/45/51/514394551.db2.gz TZHSCOLDWMSXPZ-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(CN3C[C@@H](C)C[C@H](CO)C3)c2)C1 ZINC000420947515 514394554 /nfs/dbraw/zinc/39/45/54/514394554.db2.gz TZHSCOLDWMSXPZ-UDKICSLYSA-N 1 3 360.542 2.587 20 0 FFADHO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415020014 514404798 /nfs/dbraw/zinc/40/47/98/514404798.db2.gz FUSLXJYQEDAFGK-HDJSIYSDSA-N 1 3 358.935 2.988 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(NC(C)=O)c3)CC2)CC1 ZINC000420982061 514422359 /nfs/dbraw/zinc/42/23/59/514422359.db2.gz ONERXUMQSAFGRW-UHFFFAOYSA-N 1 3 358.530 2.637 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCCC[NH2+]C1CC1 ZINC000415069523 514428053 /nfs/dbraw/zinc/42/80/53/514428053.db2.gz OTVIZOKQGAIALH-GFCCVEGCSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCNC1CC1 ZINC000415069523 514428059 /nfs/dbraw/zinc/42/80/59/514428059.db2.gz OTVIZOKQGAIALH-GFCCVEGCSA-N 1 3 354.292 2.898 20 0 FFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415075969 514431709 /nfs/dbraw/zinc/43/17/09/514431709.db2.gz BZQXTUYCKLIJOF-RXVVDRJESA-N 1 3 372.557 2.990 20 0 FFADHO CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1=O ZINC000428247489 514432378 /nfs/dbraw/zinc/43/23/78/514432378.db2.gz OASIOIDNBNCHQL-DOIPELPJSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1=O ZINC000428247489 514432381 /nfs/dbraw/zinc/43/23/81/514432381.db2.gz OASIOIDNBNCHQL-DOIPELPJSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1=O ZINC000428247489 514432386 /nfs/dbraw/zinc/43/23/86/514432386.db2.gz OASIOIDNBNCHQL-DOIPELPJSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)[C@@H](C)CN1 ZINC000417617274 514438411 /nfs/dbraw/zinc/43/84/11/514438411.db2.gz FHGDPHBKRZXRMC-MSOLQXFVSA-N 1 3 358.530 2.954 20 0 FFADHO C[C@@H]1C[C@@H](CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000415091493 514438562 /nfs/dbraw/zinc/43/85/62/514438562.db2.gz QIXWDZXPGPUQEH-CVEARBPZSA-N 1 3 352.544 2.736 20 0 FFADHO [NH3+]Cc1cn([C@@H]2CCCN(CCCc3c(F)cccc3Cl)C2)nn1 ZINC000415103202 514444807 /nfs/dbraw/zinc/44/48/07/514444807.db2.gz CTTMYDZPHJHSIS-CQSZACIVSA-N 1 3 351.857 2.799 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424300550 514450032 /nfs/dbraw/zinc/45/00/32/514450032.db2.gz WROOJECTDLUPOG-ZDUSSCGKSA-N 1 3 371.403 2.988 20 0 FFADHO CCOCc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000415124729 514454167 /nfs/dbraw/zinc/45/41/67/514454167.db2.gz NEVCUHRTNOTNJK-TZIWHRDSSA-N 1 3 362.514 2.950 20 0 FFADHO CSc1ccccc1OC[C@@H](O)CN(C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000415128172 514457199 /nfs/dbraw/zinc/45/71/99/514457199.db2.gz SMLVOSDDTHOQIY-SJORKVTESA-N 1 3 352.544 2.858 20 0 FFADHO CSc1ccccc1OC[C@@H](O)C[N@H+](C[C@@H]1CCCNC1)C(C)C ZINC000415128172 514457205 /nfs/dbraw/zinc/45/72/05/514457205.db2.gz SMLVOSDDTHOQIY-SJORKVTESA-N 1 3 352.544 2.858 20 0 FFADHO CSc1ccccc1OC[C@@H](O)C[N@@H+](C[C@@H]1CCCNC1)C(C)C ZINC000415128172 514457212 /nfs/dbraw/zinc/45/72/12/514457212.db2.gz SMLVOSDDTHOQIY-SJORKVTESA-N 1 3 352.544 2.858 20 0 FFADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3(O)CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000424341209 514459425 /nfs/dbraw/zinc/45/94/25/514459425.db2.gz ZJYWXNGMAXHKRU-FRTGENFJSA-N 1 3 358.526 2.807 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000465917851 514519597 /nfs/dbraw/zinc/51/95/97/514519597.db2.gz JPYFDASUCKCLMJ-FCGDIQPGSA-N 1 3 352.567 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000465917851 514519603 /nfs/dbraw/zinc/51/96/03/514519603.db2.gz JPYFDASUCKCLMJ-FCGDIQPGSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC000455438988 514523485 /nfs/dbraw/zinc/52/34/85/514523485.db2.gz YLZKZPWFFXLTQX-SFHVURJKSA-N 1 3 358.530 2.634 20 0 FFADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)CO2 ZINC000453056462 514530201 /nfs/dbraw/zinc/53/02/01/514530201.db2.gz CFFAZZVSZZNRSX-SFHVURJKSA-N 1 3 356.466 2.729 20 0 FFADHO COc1ccc2c(c1)C[C@H](NCc1cccc(OCC[NH+](C)C)c1)CO2 ZINC000453056462 514530211 /nfs/dbraw/zinc/53/02/11/514530211.db2.gz CFFAZZVSZZNRSX-SFHVURJKSA-N 1 3 356.466 2.729 20 0 FFADHO OC1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453081145 514537782 /nfs/dbraw/zinc/53/77/82/514537782.db2.gz FHQKVGLKJSWADY-ZRBLBEILSA-N 1 3 371.569 2.866 20 0 FFADHO O[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)COCC1CC1 ZINC000453089806 514541980 /nfs/dbraw/zinc/54/19/80/514541980.db2.gz OZWRPTZNLZNFDQ-YSFYHYPLSA-N 1 3 358.526 2.807 20 0 FFADHO O[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)COCC1CC1 ZINC000453089806 514541985 /nfs/dbraw/zinc/54/19/85/514541985.db2.gz OZWRPTZNLZNFDQ-YSFYHYPLSA-N 1 3 358.526 2.807 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)N(C)C)cc1 ZINC000458058449 514549203 /nfs/dbraw/zinc/54/92/03/514549203.db2.gz ZPCDZYLJKGKIGQ-TZIWHRDSSA-N 1 3 358.530 2.725 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)N(C)C)cc1 ZINC000458058449 514549208 /nfs/dbraw/zinc/54/92/08/514549208.db2.gz ZPCDZYLJKGKIGQ-TZIWHRDSSA-N 1 3 358.530 2.725 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCN(C)[C@@H](C)C3)C2)CC1 ZINC000466055229 514551019 /nfs/dbraw/zinc/55/10/19/514551019.db2.gz YNRRBIVAJVYXNU-FHWLQOOXSA-N 1 3 350.551 2.623 20 0 FFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCN(C)[C@H](C)C3)C2)CC1 ZINC000466055231 514551750 /nfs/dbraw/zinc/55/17/50/514551750.db2.gz YNRRBIVAJVYXNU-QYZOEREBSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CN1Cc1ccccc1 ZINC000466210927 514577447 /nfs/dbraw/zinc/57/74/47/514577447.db2.gz OMYWKQXNSQSMPD-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CN1Cc1ccccc1 ZINC000466210927 514577456 /nfs/dbraw/zinc/57/74/56/514577456.db2.gz OMYWKQXNSQSMPD-QWFCFKBJSA-N 1 3 358.530 2.681 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000466222681 514581562 /nfs/dbraw/zinc/58/15/62/514581562.db2.gz DOYYKNIEZBKNSC-QXAKKESOSA-N 1 3 350.551 2.525 20 0 FFADHO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000453402128 514621615 /nfs/dbraw/zinc/62/16/15/514621615.db2.gz PRJPBKVSFWUECX-XKGZKEIXSA-N 1 3 372.513 2.931 20 0 FFADHO C[N@H+](CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000455615742 514637269 /nfs/dbraw/zinc/63/72/69/514637269.db2.gz OHEPHXMWZICKIG-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[N@@H+](CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000455615742 514637277 /nfs/dbraw/zinc/63/72/77/514637277.db2.gz OHEPHXMWZICKIG-FQEVSTJZSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000461717341 514703880 /nfs/dbraw/zinc/70/38/80/514703880.db2.gz SKTKLNBKPIGLKU-WSTZPKSXSA-N 1 3 358.530 2.775 20 0 FFADHO O=C1[C@@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1c1ccccc1 ZINC000471007234 514714404 /nfs/dbraw/zinc/71/44/04/514714404.db2.gz PKGZFUQHMRWARD-VWPQPMDRSA-N 1 3 361.489 2.856 20 0 FFADHO O=C1[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCN1c1ccccc1 ZINC000471007234 514714415 /nfs/dbraw/zinc/71/44/15/514714415.db2.gz PKGZFUQHMRWARD-VWPQPMDRSA-N 1 3 361.489 2.856 20 0 FFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000479790487 514725468 /nfs/dbraw/zinc/72/54/68/514725468.db2.gz VYZMAAQVKUZXMY-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000498110858 514764617 /nfs/dbraw/zinc/76/46/17/514764617.db2.gz FNQXJCNXDPLCBB-SFHVURJKSA-N 1 3 350.482 2.602 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000498121989 514769257 /nfs/dbraw/zinc/76/92/57/514769257.db2.gz XZTMXGAKHKQXOS-DOTOQJQBSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000489251245 514771294 /nfs/dbraw/zinc/77/12/94/514771294.db2.gz KJOJCMDAIACDNX-SFHLNBCPSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000484745656 514778711 /nfs/dbraw/zinc/77/87/11/514778711.db2.gz PBSJFMSPLAQCNY-DYESRHJHSA-N 1 3 370.541 2.823 20 0 FFADHO CCCN(C(=O)[C@H]([NH3+])CC(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000498199794 514799765 /nfs/dbraw/zinc/79/97/65/514799765.db2.gz DUTHOQKVJWTXIT-IAGOWNOFSA-N 1 3 353.457 2.872 20 0 FFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000502849189 514810174 /nfs/dbraw/zinc/81/01/74/514810174.db2.gz WZBOUNBLIKCCPP-RTBURBONSA-N 1 3 354.583 2.974 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484968820 514858678 /nfs/dbraw/zinc/85/86/78/514858678.db2.gz FTQZHFGIYYGBAY-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484968820 514858684 /nfs/dbraw/zinc/85/86/84/514858684.db2.gz FTQZHFGIYYGBAY-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000458512074 514859151 /nfs/dbraw/zinc/85/91/51/514859151.db2.gz MNQDTUTTWSIGIK-SFHVURJKSA-N 1 3 364.578 2.870 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000471397318 514866604 /nfs/dbraw/zinc/86/66/04/514866604.db2.gz ABUPXAMRXDPVDF-KDURUIRLSA-N 1 3 357.542 2.919 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000471397318 514866609 /nfs/dbraw/zinc/86/66/09/514866609.db2.gz ABUPXAMRXDPVDF-KDURUIRLSA-N 1 3 357.542 2.919 20 0 FFADHO CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 ZINC000508700582 514866868 /nfs/dbraw/zinc/86/68/68/514866868.db2.gz RAQPCAKBDVLAJM-FCEUIQTBSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@H](CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508700582 514866876 /nfs/dbraw/zinc/86/68/76/514866876.db2.gz RAQPCAKBDVLAJM-FCEUIQTBSA-N 1 3 359.558 2.843 20 0 FFADHO CC(C)[C@H](CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508700582 514866888 /nfs/dbraw/zinc/86/68/88/514866888.db2.gz RAQPCAKBDVLAJM-FCEUIQTBSA-N 1 3 359.558 2.843 20 0 FFADHO O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000471427114 514886325 /nfs/dbraw/zinc/88/63/25/514886325.db2.gz IEEYFYIYERJJQV-QFIPXVFZSA-N 1 3 363.505 2.826 20 0 FFADHO O=C(CC[N@H+]1CCc2ccccc2C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000471427114 514886337 /nfs/dbraw/zinc/88/63/37/514886337.db2.gz IEEYFYIYERJJQV-QFIPXVFZSA-N 1 3 363.505 2.826 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000489778279 514972703 /nfs/dbraw/zinc/97/27/03/514972703.db2.gz GAFYBBQWSHKDGH-RBUKOAKNSA-N 1 3 364.578 2.870 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000489778279 514972711 /nfs/dbraw/zinc/97/27/11/514972711.db2.gz GAFYBBQWSHKDGH-RBUKOAKNSA-N 1 3 364.578 2.870 20 0 FFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1cccc(Br)c1 ZINC000489823124 514987600 /nfs/dbraw/zinc/98/76/00/514987600.db2.gz FSWOSSASUBZSGZ-OAHLLOKOSA-N 1 3 354.292 2.981 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489831652 514991423 /nfs/dbraw/zinc/99/14/23/514991423.db2.gz NYYCQNNFWUCRJO-SBHAEUEKSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489831652 514991431 /nfs/dbraw/zinc/99/14/31/514991431.db2.gz NYYCQNNFWUCRJO-SBHAEUEKSA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000498642007 515007255 /nfs/dbraw/zinc/00/72/55/515007255.db2.gz IEJJFEXQEAWTDH-GOSISDBHSA-N 1 3 360.546 2.677 20 0 FFADHO C[C@@H](NC(=O)N(C)CCN1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714440 515037593 /nfs/dbraw/zinc/03/75/93/515037593.db2.gz LOEXMOCPNNWDNU-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H](NC(=O)N(C)CCN1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714440 515037606 /nfs/dbraw/zinc/03/76/06/515037606.db2.gz LOEXMOCPNNWDNU-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCN1Cc1ccccc1 ZINC000458782463 515088827 /nfs/dbraw/zinc/08/88/27/515088827.db2.gz ULYFZWWYVZUUHT-KAGYGMCKSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCN1Cc1ccccc1 ZINC000458782463 515088837 /nfs/dbraw/zinc/08/88/37/515088837.db2.gz ULYFZWWYVZUUHT-KAGYGMCKSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000467870007 515151504 /nfs/dbraw/zinc/15/15/04/515151504.db2.gz ZQRZQXBMGYOQPB-HIFRSBDPSA-N 1 3 368.319 2.687 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490240496 515151539 /nfs/dbraw/zinc/15/15/39/515151539.db2.gz DYGLNXRGKGICBP-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000498989934 515156050 /nfs/dbraw/zinc/15/60/50/515156050.db2.gz TVDBXDOGOAUCHG-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000498989934 515156057 /nfs/dbraw/zinc/15/60/57/515156057.db2.gz TVDBXDOGOAUCHG-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000498989934 515156065 /nfs/dbraw/zinc/15/60/65/515156065.db2.gz TVDBXDOGOAUCHG-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000498989934 515156074 /nfs/dbraw/zinc/15/60/74/515156074.db2.gz TVDBXDOGOAUCHG-GMQQQROESA-N 1 3 360.542 2.872 20 0 FFADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000481026690 515178264 /nfs/dbraw/zinc/17/82/64/515178264.db2.gz SFAITHWKNXLYAS-QFBILLFUSA-N 1 3 362.518 2.668 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@@H]1CCCCN1C1CC1 ZINC000472238902 515180868 /nfs/dbraw/zinc/18/08/68/515180868.db2.gz JUTBPBVOCDPREV-CTNGQTDRSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CCCCN1C1CC1 ZINC000472238902 515180874 /nfs/dbraw/zinc/18/08/74/515180874.db2.gz JUTBPBVOCDPREV-CTNGQTDRSA-N 1 3 370.541 2.825 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000476800412 515199578 /nfs/dbraw/zinc/19/95/78/515199578.db2.gz DHFHOTGQICFNFB-LPHOPBHVSA-N 1 3 362.518 2.821 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000476800412 515199585 /nfs/dbraw/zinc/19/95/85/515199585.db2.gz DHFHOTGQICFNFB-LPHOPBHVSA-N 1 3 362.518 2.821 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000499113316 515205174 /nfs/dbraw/zinc/20/51/74/515205174.db2.gz PCBGZALJAPFELK-YLFCFFPRSA-N 1 3 350.507 2.881 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000458936618 515213224 /nfs/dbraw/zinc/21/32/24/515213224.db2.gz IPBZOXLTKPUXGK-DLBZAZTESA-N 1 3 374.520 2.869 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000458936618 515213235 /nfs/dbraw/zinc/21/32/35/515213235.db2.gz IPBZOXLTKPUXGK-DLBZAZTESA-N 1 3 374.520 2.869 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000458938200 515215209 /nfs/dbraw/zinc/21/52/09/515215209.db2.gz OPIRZLSBDBHLMF-IBGZPJMESA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000509571637 515238706 /nfs/dbraw/zinc/23/87/06/515238706.db2.gz RIKMVBFXRSQOAF-WKUFJEKOSA-N 1 3 362.518 2.975 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000509571637 515238713 /nfs/dbraw/zinc/23/87/13/515238713.db2.gz RIKMVBFXRSQOAF-WKUFJEKOSA-N 1 3 362.518 2.975 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccco1 ZINC000509605505 515254589 /nfs/dbraw/zinc/25/45/89/515254589.db2.gz WPIZHDVJJRIMHV-XWTMOSNGSA-N 1 3 362.518 2.977 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(C)C ZINC000481236815 515256851 /nfs/dbraw/zinc/25/68/51/515256851.db2.gz XYLCTOBPEMUZOV-FFGOWVMKSA-N 1 3 358.530 2.912 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N(C)C ZINC000481236815 515256852 /nfs/dbraw/zinc/25/68/52/515256852.db2.gz XYLCTOBPEMUZOV-FFGOWVMKSA-N 1 3 358.530 2.912 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000481262010 515267828 /nfs/dbraw/zinc/26/78/28/515267828.db2.gz WCSBYIYHEORYMH-LMCOJAPRSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1 ZINC000481262010 515267832 /nfs/dbraw/zinc/26/78/32/515267832.db2.gz WCSBYIYHEORYMH-LMCOJAPRSA-N 1 3 356.514 2.575 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504346648 515282344 /nfs/dbraw/zinc/28/23/44/515282344.db2.gz XXELSKPRDHKRPC-HSALFYBXSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504346648 515282352 /nfs/dbraw/zinc/28/23/52/515282352.db2.gz XXELSKPRDHKRPC-HSALFYBXSA-N 1 3 356.514 2.750 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000481324710 515291362 /nfs/dbraw/zinc/29/13/62/515291362.db2.gz RVYABOASVLRPOP-IFMALSPDSA-N 1 3 358.574 2.514 20 0 FFADHO CCCCOc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OCC ZINC000504393272 515293799 /nfs/dbraw/zinc/29/37/99/515293799.db2.gz DMOGUIVCKSOLOI-LJQANCHMSA-N 1 3 361.530 2.744 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCN1C ZINC000477041858 515299220 /nfs/dbraw/zinc/29/92/20/515299220.db2.gz GTDVUUGYJDTGAC-NSISKUIASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCN1C ZINC000477041858 515299227 /nfs/dbraw/zinc/29/92/27/515299227.db2.gz GTDVUUGYJDTGAC-NSISKUIASA-N 1 3 358.530 2.679 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000468299426 515301912 /nfs/dbraw/zinc/30/19/12/515301912.db2.gz ZGALXLKAYSDWLR-UHFFFAOYSA-N 1 3 365.468 2.842 20 0 FFADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459113304 515330379 /nfs/dbraw/zinc/33/03/79/515330379.db2.gz SEPHFZNHTUUYFQ-UHFFFAOYSA-N 1 3 350.551 2.911 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000468397138 515339677 /nfs/dbraw/zinc/33/96/77/515339677.db2.gz IQDGMOCWWPWLCB-QZTJIDSGSA-N 1 3 361.530 2.896 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cc(C)ccc1C ZINC000499507964 515351824 /nfs/dbraw/zinc/35/18/24/515351824.db2.gz LCFPWACESKGVDK-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cc(C)ccc1C ZINC000499507964 515351828 /nfs/dbraw/zinc/35/18/28/515351828.db2.gz LCFPWACESKGVDK-IBGZPJMESA-N 1 3 361.530 2.557 20 0 FFADHO CC[C@@H](CNC(=O)N(CC)CCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000468429357 515356100 /nfs/dbraw/zinc/35/61/00/515356100.db2.gz UMRUMMCXVJNZMH-FQEVSTJZSA-N 1 3 360.546 2.807 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000468467778 515371393 /nfs/dbraw/zinc/37/13/93/515371393.db2.gz BTWLUGDIJGVUGL-OALUTQOASA-N 1 3 372.557 2.821 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000468467778 515371400 /nfs/dbraw/zinc/37/14/00/515371400.db2.gz BTWLUGDIJGVUGL-OALUTQOASA-N 1 3 372.557 2.821 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000468478583 515378346 /nfs/dbraw/zinc/37/83/46/515378346.db2.gz KUSJTLSCAXIVJC-ZHALLVOQSA-N 1 3 371.525 2.964 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000459187374 515385278 /nfs/dbraw/zinc/38/52/78/515385278.db2.gz KUFLDHFTGKXRHI-MOPGFXCFSA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000459187374 515385288 /nfs/dbraw/zinc/38/52/88/515385288.db2.gz KUFLDHFTGKXRHI-MOPGFXCFSA-N 1 3 350.551 2.623 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000472762428 515387309 /nfs/dbraw/zinc/38/73/09/515387309.db2.gz LVIAGMMMHPXBIF-IBGZPJMESA-N 1 3 362.518 2.713 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)N(C)C ZINC000491170875 515390381 /nfs/dbraw/zinc/39/03/81/515390381.db2.gz IEDPOIUYQDTOKK-SLYNCCJLSA-N 1 3 358.530 2.723 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)N(C)C ZINC000491170875 515390393 /nfs/dbraw/zinc/39/03/93/515390393.db2.gz IEDPOIUYQDTOKK-SLYNCCJLSA-N 1 3 358.530 2.723 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459204678 515398642 /nfs/dbraw/zinc/39/86/42/515398642.db2.gz UZQAAWQIOIXNDS-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459204678 515398652 /nfs/dbraw/zinc/39/86/52/515398652.db2.gz UZQAAWQIOIXNDS-UHFFFAOYSA-N 1 3 362.518 2.760 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000504907584 515406267 /nfs/dbraw/zinc/40/62/67/515406267.db2.gz GGJMGRJCJJRHAC-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459273288 515440049 /nfs/dbraw/zinc/44/00/49/515440049.db2.gz YACKNZDECMNKAI-IBGZPJMESA-N 1 3 360.546 2.800 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459273288 515440062 /nfs/dbraw/zinc/44/00/62/515440062.db2.gz YACKNZDECMNKAI-IBGZPJMESA-N 1 3 360.546 2.800 20 0 FFADHO C[C@@H](CCNC(=O)NCCN1CCC[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000472973461 515462627 /nfs/dbraw/zinc/46/26/27/515462627.db2.gz ZJCKNOJPRBGBRC-OALUTQOASA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H](CCNC(=O)NCCN1CCC[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000472973461 515462634 /nfs/dbraw/zinc/46/26/34/515462634.db2.gz ZJCKNOJPRBGBRC-OALUTQOASA-N 1 3 360.546 2.928 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000468741658 515497959 /nfs/dbraw/zinc/49/79/59/515497959.db2.gz CFQGVAUHJNQJHM-UYAOXDASSA-N 1 3 360.546 2.880 20 0 FFADHO CCOC(=O)C1(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000473077995 515500645 /nfs/dbraw/zinc/50/06/45/515500645.db2.gz NTYIIRFTDTVMCD-UHFFFAOYSA-N 1 3 359.514 2.650 20 0 FFADHO C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000510343603 515510128 /nfs/dbraw/zinc/51/01/28/515510128.db2.gz BAAVULVSJWAECM-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO Cc1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c(OCCN(C)C)c1 ZINC000459411869 515535984 /nfs/dbraw/zinc/53/59/84/515535984.db2.gz JWOPRAINGFYMBY-QGZVFWFLSA-N 1 3 362.518 2.789 20 0 FFADHO Cc1ccc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(OCCN(C)C)c1 ZINC000459411869 515535996 /nfs/dbraw/zinc/53/59/96/515535996.db2.gz JWOPRAINGFYMBY-QGZVFWFLSA-N 1 3 362.518 2.789 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000454508415 515539890 /nfs/dbraw/zinc/53/98/90/515539890.db2.gz CAADXWQIOIPJKF-IMFGXOCKSA-N 1 3 356.514 2.558 20 0 FFADHO Cc1noc(CCC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000477667800 515545564 /nfs/dbraw/zinc/54/55/64/515545564.db2.gz NVKZJCKADGLWMQ-HOTGVXAUSA-N 1 3 350.507 2.522 20 0 FFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCO2 ZINC000482124979 515581094 /nfs/dbraw/zinc/58/10/94/515581094.db2.gz JNIWPKSTICNHTN-KRWDZBQOSA-N 1 3 368.481 2.673 20 0 FFADHO C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1=CCN(C)CC1 ZINC000510547882 515581105 /nfs/dbraw/zinc/58/11/05/515581105.db2.gz KSDYRXFBLJZARX-BRWVUGGUSA-N 1 3 350.551 2.693 20 0 FFADHO CCO[C@@H]1C[C@H](NCCC[NH+]2CCC(O)CC2)[C@H]1Sc1ccccc1 ZINC000459481737 515582212 /nfs/dbraw/zinc/58/22/12/515582212.db2.gz XKCZTQYZRGEMEA-XUVXKRRUSA-N 1 3 364.555 2.761 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C2CC2)C2CCCC2)[C@@H](C)C1 ZINC000482153807 515589951 /nfs/dbraw/zinc/58/99/51/515589951.db2.gz BZPIKSQUQPWUHY-PXNSSMCTSA-N 1 3 365.562 2.647 20 0 FFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2ccccc2C1 ZINC000493147884 515602392 /nfs/dbraw/zinc/60/23/92/515602392.db2.gz LINWVJIEZQNOQH-GCJKJVERSA-N 1 3 371.525 2.570 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000505689577 515633686 /nfs/dbraw/zinc/63/36/86/515633686.db2.gz XVEJTIVTWPYRKF-UGKGYDQZSA-N 1 3 373.516 2.982 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)C1 ZINC000505689577 515633693 /nfs/dbraw/zinc/63/36/93/515633693.db2.gz XVEJTIVTWPYRKF-UGKGYDQZSA-N 1 3 373.516 2.982 20 0 FFADHO O=C1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1c1ccccc1F ZINC000459556919 515647094 /nfs/dbraw/zinc/64/70/94/515647094.db2.gz KQOYRPGTNVGUSV-INIZCTEOSA-N 1 3 354.429 2.585 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2ncccc21 ZINC000505738457 515651702 /nfs/dbraw/zinc/65/17/02/515651702.db2.gz SIDGDRRFTTWWQS-KRWDZBQOSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2ncccc21 ZINC000505738457 515651709 /nfs/dbraw/zinc/65/17/09/515651709.db2.gz SIDGDRRFTTWWQS-KRWDZBQOSA-N 1 3 354.498 2.723 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000457124332 515669457 /nfs/dbraw/zinc/66/94/57/515669457.db2.gz PQYOSIBLWNEWMI-AZUAARDMSA-N 1 3 361.505 2.979 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000457124332 515669466 /nfs/dbraw/zinc/66/94/66/515669466.db2.gz PQYOSIBLWNEWMI-AZUAARDMSA-N 1 3 361.505 2.979 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC000459648758 515721044 /nfs/dbraw/zinc/72/10/44/515721044.db2.gz CIHCAPOIDGKOGI-CTNGQTDRSA-N 1 3 355.526 2.829 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC000459648758 515721047 /nfs/dbraw/zinc/72/10/47/515721047.db2.gz CIHCAPOIDGKOGI-CTNGQTDRSA-N 1 3 355.526 2.829 20 0 FFADHO CCN1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)[C@@H](C)C1 ZINC000482569535 515723313 /nfs/dbraw/zinc/72/33/13/515723313.db2.gz OGOROHLDWSAPCL-ZWOKBUDYSA-N 1 3 362.537 2.958 20 0 FFADHO CCN1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)C1 ZINC000482569534 515723675 /nfs/dbraw/zinc/72/36/75/515723675.db2.gz OGOROHLDWSAPCL-UWVAXJGDSA-N 1 3 362.537 2.958 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CN1Cc1ccccc1 ZINC000510970816 515732871 /nfs/dbraw/zinc/73/28/71/515732871.db2.gz SYLVQEGVEUFPNH-AZUAARDMSA-N 1 3 370.541 2.919 20 0 FFADHO COC[C@H](CC(C)C)[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633247 515746178 /nfs/dbraw/zinc/74/61/78/515746178.db2.gz HFWQMXNXWJWHCI-UXHICEINSA-N 1 3 361.530 2.535 20 0 FFADHO COC[C@H](CC(C)C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633247 515746187 /nfs/dbraw/zinc/74/61/87/515746187.db2.gz HFWQMXNXWJWHCI-UXHICEINSA-N 1 3 361.530 2.535 20 0 FFADHO COC[C@H](CC(C)C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482633247 515746190 /nfs/dbraw/zinc/74/61/90/515746190.db2.gz HFWQMXNXWJWHCI-UXHICEINSA-N 1 3 361.530 2.535 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000469312063 515764034 /nfs/dbraw/zinc/76/40/34/515764034.db2.gz YPZKOWPALHZNLX-NRFANRHFSA-N 1 3 370.541 2.529 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NCC[N@H+](C)CC)c1ccc(Cl)cc1 ZINC000487187907 515792306 /nfs/dbraw/zinc/79/23/06/515792306.db2.gz RXADYXUFYSWMER-QGZVFWFLSA-N 1 3 354.926 2.974 20 0 FFADHO CCCN(C)[C@H](CNC(=O)NCC[N@@H+](C)CC)c1ccc(Cl)cc1 ZINC000487187907 515792317 /nfs/dbraw/zinc/79/23/17/515792317.db2.gz RXADYXUFYSWMER-QGZVFWFLSA-N 1 3 354.926 2.974 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000469422571 515810813 /nfs/dbraw/zinc/81/08/13/515810813.db2.gz QKPLMXHWPNMJNQ-UYAOXDASSA-N 1 3 358.530 2.679 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000469422571 515810819 /nfs/dbraw/zinc/81/08/19/515810819.db2.gz QKPLMXHWPNMJNQ-UYAOXDASSA-N 1 3 358.530 2.679 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000457377632 515836437 /nfs/dbraw/zinc/83/64/37/515836437.db2.gz QEHAWLWZQDMACS-IRLDBZIGSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)C1 ZINC000457377632 515836447 /nfs/dbraw/zinc/83/64/47/515836447.db2.gz QEHAWLWZQDMACS-IRLDBZIGSA-N 1 3 370.541 2.951 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000457398355 515847210 /nfs/dbraw/zinc/84/72/10/515847210.db2.gz CXWRMKOCQQVNGO-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000457398355 515847215 /nfs/dbraw/zinc/84/72/15/515847215.db2.gz CXWRMKOCQQVNGO-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000474032429 515850239 /nfs/dbraw/zinc/85/02/39/515850239.db2.gz JTLDWTDXUQQMRA-SQAAOVBZSA-N 1 3 372.557 2.925 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000474032429 515850247 /nfs/dbraw/zinc/85/02/47/515850247.db2.gz JTLDWTDXUQQMRA-SQAAOVBZSA-N 1 3 372.557 2.925 20 0 FFADHO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000474122922 515893481 /nfs/dbraw/zinc/89/34/81/515893481.db2.gz LZCONIFJJIPIRD-MWXLCCTBSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+](C2CCC2)C1 ZINC000487530020 515894225 /nfs/dbraw/zinc/89/42/25/515894225.db2.gz ANMIMBLJYPURTI-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000487530020 515894231 /nfs/dbraw/zinc/89/42/31/515894231.db2.gz ANMIMBLJYPURTI-UYAOXDASSA-N 1 3 370.541 2.777 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000457480086 515903834 /nfs/dbraw/zinc/90/38/34/515903834.db2.gz NCHYLURCCUXEQH-QUCCMNQESA-N 1 3 360.546 2.883 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000457480086 515903845 /nfs/dbraw/zinc/90/38/45/515903845.db2.gz NCHYLURCCUXEQH-QUCCMNQESA-N 1 3 360.546 2.883 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000469685056 515918683 /nfs/dbraw/zinc/91/86/83/515918683.db2.gz TUQXVUWDUVOEPZ-PZJWPPBQSA-N 1 3 372.557 2.530 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000469685056 515918691 /nfs/dbraw/zinc/91/86/91/515918691.db2.gz TUQXVUWDUVOEPZ-PZJWPPBQSA-N 1 3 372.557 2.530 20 0 FFADHO CN(C)Cc1cccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000469722777 515937699 /nfs/dbraw/zinc/93/76/99/515937699.db2.gz HCPPMPOAWYJVFH-UHFFFAOYSA-N 1 3 351.494 2.577 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000511568033 515945724 /nfs/dbraw/zinc/94/57/24/515945724.db2.gz XFHJPJIZLBLXAF-UYAOXDASSA-N 1 3 370.541 2.823 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000511568033 515945733 /nfs/dbraw/zinc/94/57/33/515945733.db2.gz XFHJPJIZLBLXAF-UYAOXDASSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000483188988 515974923 /nfs/dbraw/zinc/97/49/23/515974923.db2.gz YINGOAHXIIDIIP-SJLPKXTDSA-N 1 3 350.551 2.813 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)N(C)C)cc1 ZINC000474293759 515975989 /nfs/dbraw/zinc/97/59/89/515975989.db2.gz QOXBMTZWXJRBPU-NRFANRHFSA-N 1 3 351.494 2.716 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487836779 515999898 /nfs/dbraw/zinc/99/98/98/515999898.db2.gz LQJDYNJZAJKFAA-PIKOESSRSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487836779 515999905 /nfs/dbraw/zinc/99/99/05/515999905.db2.gz LQJDYNJZAJKFAA-PIKOESSRSA-N 1 3 358.530 2.679 20 0 FFADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457622364 516018162 /nfs/dbraw/zinc/01/81/62/516018162.db2.gz LXWYAEINFDKGBC-UHFFFAOYSA-N 1 3 371.525 2.846 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3F)s2)C1 ZINC000470001985 516073992 /nfs/dbraw/zinc/07/39/92/516073992.db2.gz CKWTXONBLMIIFY-AWEZNQCLSA-N 1 3 361.486 2.841 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000474517771 516079059 /nfs/dbraw/zinc/07/90/59/516079059.db2.gz HHYSCZYSHMBWQF-RCKXYERXSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCC[C@@H]1C ZINC000501492407 516121141 /nfs/dbraw/zinc/12/11/41/516121141.db2.gz UQXOWVYHOGFSSD-ROUUACIJSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501516985 516137628 /nfs/dbraw/zinc/13/76/28/516137628.db2.gz GCNKCGNGNXTOIN-ICSRJNTNSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501516985 516137632 /nfs/dbraw/zinc/13/76/32/516137632.db2.gz GCNKCGNGNXTOIN-ICSRJNTNSA-N 1 3 358.530 2.997 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000501547606 516148823 /nfs/dbraw/zinc/14/88/23/516148823.db2.gz BLUGVPPJNOCJKK-HBFSDRIKSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000501547606 516148834 /nfs/dbraw/zinc/14/88/34/516148834.db2.gz BLUGVPPJNOCJKK-HBFSDRIKSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCN(C2CC2)C1 ZINC000457791629 516148954 /nfs/dbraw/zinc/14/89/54/516148954.db2.gz HAHZHVYEOPOSNR-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000457791629 516148963 /nfs/dbraw/zinc/14/89/63/516148963.db2.gz HAHZHVYEOPOSNR-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000457791629 516148971 /nfs/dbraw/zinc/14/89/71/516148971.db2.gz HAHZHVYEOPOSNR-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000457808067 516163158 /nfs/dbraw/zinc/16/31/58/516163158.db2.gz WTMQJKJIVLPTIN-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000457808067 516163167 /nfs/dbraw/zinc/16/31/67/516163167.db2.gz WTMQJKJIVLPTIN-RBBKRZOGSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483675747 516164707 /nfs/dbraw/zinc/16/47/07/516164707.db2.gz AGLIDZVRJRRHRT-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483675747 516164715 /nfs/dbraw/zinc/16/47/15/516164715.db2.gz AGLIDZVRJRRHRT-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO CN(C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000483684578 516169419 /nfs/dbraw/zinc/16/94/19/516169419.db2.gz QDFGWCCEDKQKGQ-RTWAWAEBSA-N 1 3 370.541 2.775 20 0 FFADHO CN(C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000483684578 516169426 /nfs/dbraw/zinc/16/94/26/516169426.db2.gz QDFGWCCEDKQKGQ-RTWAWAEBSA-N 1 3 370.541 2.775 20 0 FFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000470276763 516191518 /nfs/dbraw/zinc/19/15/18/516191518.db2.gz HTNKZUXERRXAFC-AZUAARDMSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000470276763 516191524 /nfs/dbraw/zinc/19/15/24/516191524.db2.gz HTNKZUXERRXAFC-AZUAARDMSA-N 1 3 360.546 2.879 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000507382448 516195723 /nfs/dbraw/zinc/19/57/23/516195723.db2.gz QNRSPHCYMXMRFK-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000507382448 516195734 /nfs/dbraw/zinc/19/57/34/516195734.db2.gz QNRSPHCYMXMRFK-UYAOXDASSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)C1 ZINC000488361505 516204663 /nfs/dbraw/zinc/20/46/63/516204663.db2.gz BIGNGMRUQHCUMN-JZXOWHBKSA-N 1 3 350.551 2.621 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CCN1C ZINC000465592731 516206088 /nfs/dbraw/zinc/20/60/88/516206088.db2.gz GEZKKMPRRDQWLH-FXAWDEMLSA-N 1 3 358.530 2.954 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCc1ccco1 ZINC000465629464 516215129 /nfs/dbraw/zinc/21/51/29/516215129.db2.gz MXIJFOSJJHMFKY-QZTJIDSGSA-N 1 3 364.534 2.658 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCc1ccco1 ZINC000465629464 516215136 /nfs/dbraw/zinc/21/51/36/516215136.db2.gz MXIJFOSJJHMFKY-QZTJIDSGSA-N 1 3 364.534 2.658 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC000488432317 516223166 /nfs/dbraw/zinc/22/31/66/516223166.db2.gz SNWHHRFIJXVLNC-APWZRJJASA-N 1 3 364.534 2.716 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000501807523 516229056 /nfs/dbraw/zinc/22/90/56/516229056.db2.gz AMJIQHNDLSSGEI-FQEVSTJZSA-N 1 3 358.530 2.807 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000501807524 516231616 /nfs/dbraw/zinc/23/16/16/516231616.db2.gz AMJIQHNDLSSGEI-HXUWFJFHSA-N 1 3 358.530 2.807 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)cc1C ZINC000465723317 516239636 /nfs/dbraw/zinc/23/96/36/516239636.db2.gz NCWKCPHJCCBQEA-OAQYLSRUSA-N 1 3 374.573 2.903 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)cc1C ZINC000465723317 516239645 /nfs/dbraw/zinc/23/96/45/516239645.db2.gz NCWKCPHJCCBQEA-OAQYLSRUSA-N 1 3 374.573 2.903 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCC(C)CC1 ZINC000465814240 516264244 /nfs/dbraw/zinc/26/42/44/516264244.db2.gz MGAZFDFVJRKGCG-MJGOQNOKSA-N 1 3 350.551 2.671 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC(C)CC1 ZINC000465814240 516264252 /nfs/dbraw/zinc/26/42/52/516264252.db2.gz MGAZFDFVJRKGCG-MJGOQNOKSA-N 1 3 350.551 2.671 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCN1CC=C(C)CC1)[NH+](C)C ZINC000501940114 516269385 /nfs/dbraw/zinc/26/93/85/516269385.db2.gz QZLIXYPQUPGCAR-QUCCMNQESA-N 1 3 358.530 2.937 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CCN1C ZINC000465873783 516278344 /nfs/dbraw/zinc/27/83/44/516278344.db2.gz QNFOHARUTLSDCT-NZSAHSFTSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCN1C ZINC000465873783 516278349 /nfs/dbraw/zinc/27/83/49/516278349.db2.gz QNFOHARUTLSDCT-NZSAHSFTSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000497364570 516315687 /nfs/dbraw/zinc/31/56/87/516315687.db2.gz ISJJNWYNBSJCCC-PBASOCQRSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000497364570 516315691 /nfs/dbraw/zinc/31/56/91/516315691.db2.gz ISJJNWYNBSJCCC-PBASOCQRSA-N 1 3 370.541 2.948 20 0 FFADHO CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000512637084 516317020 /nfs/dbraw/zinc/31/70/20/516317020.db2.gz RHVNYDCZFQVCPL-DOIPELPJSA-N 1 3 355.526 2.886 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000497613448 516327999 /nfs/dbraw/zinc/32/79/99/516327999.db2.gz RVARNASNTPGOPU-LPHOPBHVSA-N 1 3 360.546 2.709 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCS[C@H](C)[C@@H]3C)CC2)CC1 ZINC000557624568 516342026 /nfs/dbraw/zinc/34/20/26/516342026.db2.gz FHOIRCWCVZHJQV-JKSUJKDBSA-N 1 3 353.576 2.535 20 0 FFADHO CC(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)N1CCN(C)CC1 ZINC000550608426 516351128 /nfs/dbraw/zinc/35/11/28/516351128.db2.gz GPCVVPZVNGKTTN-VSKRKVRLSA-N 1 3 358.574 2.684 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000535435372 516353966 /nfs/dbraw/zinc/35/39/66/516353966.db2.gz JTZICXMGFXKQNK-MOPGFXCFSA-N 1 3 358.530 2.948 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000535435372 516353972 /nfs/dbraw/zinc/35/39/72/516353972.db2.gz JTZICXMGFXKQNK-MOPGFXCFSA-N 1 3 358.530 2.948 20 0 FFADHO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000561060936 516358461 /nfs/dbraw/zinc/35/84/61/516358461.db2.gz UUASVYVTHLJQCA-UHFFFAOYSA-N 1 3 374.510 2.826 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000561151809 516410881 /nfs/dbraw/zinc/41/08/81/516410881.db2.gz WXCOVMJVGPMQHV-SXLOBPIMSA-N 1 3 358.530 2.819 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000540059943 516422841 /nfs/dbraw/zinc/42/28/41/516422841.db2.gz YSSXFRSZCJZXPA-ZWKOTPCHSA-N 1 3 373.545 2.860 20 0 FFADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000540059943 516422850 /nfs/dbraw/zinc/42/28/50/516422850.db2.gz YSSXFRSZCJZXPA-ZWKOTPCHSA-N 1 3 373.545 2.860 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000554478298 516454975 /nfs/dbraw/zinc/45/49/75/516454975.db2.gz ADQQXQDFCDWCMQ-SFHVURJKSA-N 1 3 364.509 2.992 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000554481180 516456707 /nfs/dbraw/zinc/45/67/07/516456707.db2.gz LXCHCRGHKDITCT-PXNSSMCTSA-N 1 3 358.530 2.821 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000523533305 516498016 /nfs/dbraw/zinc/49/80/16/516498016.db2.gz WDQQGHRNLWSROM-WIYYLYMNSA-N 1 3 372.557 2.853 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000523533305 516498024 /nfs/dbraw/zinc/49/80/24/516498024.db2.gz WDQQGHRNLWSROM-WIYYLYMNSA-N 1 3 372.557 2.853 20 0 FFADHO CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000531571960 516534959 /nfs/dbraw/zinc/53/49/59/516534959.db2.gz MJBMRWHARWNGFP-GOSISDBHSA-N 1 3 370.488 2.941 20 0 FFADHO Cn1ccc2c1cccc2NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000547752800 516543110 /nfs/dbraw/zinc/54/31/10/516543110.db2.gz DGNVKWNWSLYISG-UHFFFAOYSA-N 1 3 369.513 2.858 20 0 FFADHO C[C@H]1CN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[C@@H]1[NH3+] ZINC000518132024 516556962 /nfs/dbraw/zinc/55/69/62/516556962.db2.gz NRZAMGNOZFUZFL-LPHOPBHVSA-N 1 3 360.502 2.752 20 0 FFADHO Cn1c2ccc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)cc2oc1=O ZINC000513337427 516574083 /nfs/dbraw/zinc/57/40/83/516574083.db2.gz HPAFEXFWLCNBMT-SFHVURJKSA-N 1 3 351.450 2.743 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC000523789350 516578739 /nfs/dbraw/zinc/57/87/39/516578739.db2.gz IMBVMXBVVRFVFA-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CC1CCC(N2CCN(C(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC000523789350 516578751 /nfs/dbraw/zinc/57/87/51/516578751.db2.gz IMBVMXBVVRFVFA-XBMUEBEBSA-N 1 3 350.551 2.624 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513352625 516582635 /nfs/dbraw/zinc/58/26/35/516582635.db2.gz CLNCJGWJZQGNOQ-SIKLNZKXSA-N 1 3 367.541 2.624 20 0 FFADHO Cn1nnc2cc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000551227402 516615647 /nfs/dbraw/zinc/61/56/47/516615647.db2.gz NSEBJQDNTNHVIM-UHFFFAOYSA-N 1 3 365.481 2.731 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000558151963 516619421 /nfs/dbraw/zinc/61/94/21/516619421.db2.gz HFOWCZXBVIYWLJ-OAQYLSRUSA-N 1 3 370.541 2.525 20 0 FFADHO c1ccc([C@@H]2C[C@@H]2C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000540598389 516635794 /nfs/dbraw/zinc/63/57/94/516635794.db2.gz HDAFZCIVBIYJTM-IRLDBZIGSA-N 1 3 350.510 2.987 20 0 FFADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000528712425 516636719 /nfs/dbraw/zinc/63/67/19/516636719.db2.gz DTAWDIGQMHGSCH-LJQANCHMSA-N 1 3 366.465 2.565 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000536170630 516662874 /nfs/dbraw/zinc/66/28/74/516662874.db2.gz XDOODBDAOLUUGI-LFGUQSLTSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000536170630 516662885 /nfs/dbraw/zinc/66/28/85/516662885.db2.gz XDOODBDAOLUUGI-LFGUQSLTSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000518461412 516669358 /nfs/dbraw/zinc/66/93/58/516669358.db2.gz WGDSBQUBPSRFND-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000518461412 516669364 /nfs/dbraw/zinc/66/93/64/516669364.db2.gz WGDSBQUBPSRFND-KRWDZBQOSA-N 1 3 350.551 2.767 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000554883124 516678799 /nfs/dbraw/zinc/67/87/99/516678799.db2.gz WNNDXCBDDRAQKI-WMZOPIPTSA-N 1 3 366.575 2.843 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c2cccs2)CC1 ZINC000518497232 516681832 /nfs/dbraw/zinc/68/18/32/516681832.db2.gz DLPZUIPQOCYQLN-GVDBMIGSSA-N 1 3 364.559 2.818 20 0 FFADHO O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000518514653 516688860 /nfs/dbraw/zinc/68/88/60/516688860.db2.gz FZVXFCSTFAMJJF-DFQSSKMNSA-N 1 3 371.525 2.897 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccco1 ZINC000558368498 516707457 /nfs/dbraw/zinc/70/74/57/516707457.db2.gz BPAMGEMTLDQXAL-JKSUJKDBSA-N 1 3 350.507 2.882 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(C(N)=O)cc2)CC1 ZINC000532042097 516770176 /nfs/dbraw/zinc/77/01/76/516770176.db2.gz QLLKTZKCPLQBTK-UHFFFAOYSA-N 1 3 366.509 2.607 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc21 ZINC000555168852 516813996 /nfs/dbraw/zinc/81/39/96/516813996.db2.gz ZSXSKMSJFZULIT-NHCUHLMSSA-N 1 3 373.541 2.785 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccsc1 ZINC000524782947 516830324 /nfs/dbraw/zinc/83/03/24/516830324.db2.gz CIZAPOBOCLPANA-SJLPKXTDSA-N 1 3 366.575 2.737 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccsc1 ZINC000524782947 516830331 /nfs/dbraw/zinc/83/03/31/516830331.db2.gz CIZAPOBOCLPANA-SJLPKXTDSA-N 1 3 366.575 2.737 20 0 FFADHO CNC(=O)c1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000532202749 516857356 /nfs/dbraw/zinc/85/73/56/516857356.db2.gz XXOBHWGNWODSSF-INIZCTEOSA-N 1 3 355.482 2.837 20 0 FFADHO CC(C)Oc1cccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000524905523 516865802 /nfs/dbraw/zinc/86/58/02/516865802.db2.gz RDFVYDOBPYJHOK-QGZVFWFLSA-N 1 3 364.534 2.670 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000514213185 516905263 /nfs/dbraw/zinc/90/52/63/516905263.db2.gz DVDIOLVFOPWIAC-OALUTQOASA-N 1 3 360.546 2.786 20 0 FFADHO C[C@@H]1c2ccccc2CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000541186700 516920473 /nfs/dbraw/zinc/92/04/73/516920473.db2.gz LBFPORZTNIFJQB-MRXNPFEDSA-N 1 3 356.514 2.831 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000536776121 516929841 /nfs/dbraw/zinc/92/98/41/516929841.db2.gz LIFJKQOVJXGDNN-FQEVSTJZSA-N 1 3 365.587 2.959 20 0 FFADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000514437647 516930362 /nfs/dbraw/zinc/93/03/62/516930362.db2.gz BAUBJQAKGOROMX-IBGZPJMESA-N 1 3 358.530 2.825 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000514566498 516940503 /nfs/dbraw/zinc/94/05/03/516940503.db2.gz CWZFLHKDXLEGTR-FQEVSTJZSA-N 1 3 358.530 2.807 20 0 FFADHO COc1cccc([C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)N(C)C)c1 ZINC000514564286 516941297 /nfs/dbraw/zinc/94/12/97/516941297.db2.gz DNEFGENEXADLKT-FQEVSTJZSA-N 1 3 374.529 2.568 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000519449624 517003706 /nfs/dbraw/zinc/00/37/06/517003706.db2.gz IIZKYBVGFDIKGR-OAHLLOKOSA-N 1 3 370.488 2.768 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000562348215 517046613 /nfs/dbraw/zinc/04/66/13/517046613.db2.gz PZENBPHHHYNOPV-VQTJNVASSA-N 1 3 360.546 2.848 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000552048105 517048696 /nfs/dbraw/zinc/04/86/96/517048696.db2.gz HTEXJNQNRMKMJB-DKIMLUQUSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000552048105 517048703 /nfs/dbraw/zinc/04/87/03/517048703.db2.gz HTEXJNQNRMKMJB-DKIMLUQUSA-N 1 3 372.431 2.908 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000552048105 517048713 /nfs/dbraw/zinc/04/87/13/517048713.db2.gz HTEXJNQNRMKMJB-DKIMLUQUSA-N 1 3 372.431 2.908 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529317173 517074686 /nfs/dbraw/zinc/07/46/86/517074686.db2.gz ZJHOCQJNIQJTDC-QRQLOZEOSA-N 1 3 356.514 2.623 20 0 FFADHO CN1CCC[C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000514849343 517089942 /nfs/dbraw/zinc/08/99/42/517089942.db2.gz NEPJHAGJCDMVLT-RDJZCZTQSA-N 1 3 364.559 2.820 20 0 FFADHO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000525677621 517109197 /nfs/dbraw/zinc/10/91/97/517109197.db2.gz BVVHZQHKQSLNCS-HXUWFJFHSA-N 1 3 358.530 2.532 20 0 FFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000541572338 517118836 /nfs/dbraw/zinc/11/88/36/517118836.db2.gz FOYYGDSPDCVERP-YESZJQIVSA-N 1 3 353.551 2.501 20 0 FFADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCO1 ZINC000537406931 517174321 /nfs/dbraw/zinc/17/43/21/517174321.db2.gz KWKAVTQJUNYSKG-SFTDATJTSA-N 1 3 373.541 2.805 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769403 517207091 /nfs/dbraw/zinc/20/70/91/517207091.db2.gz HVKFSSKRFLQXAQ-QUCCMNQESA-N 1 3 358.530 2.634 20 0 FFADHO CN(CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000541854943 517252162 /nfs/dbraw/zinc/25/21/62/517252162.db2.gz HYCKKYFHHRCOLG-IBGZPJMESA-N 1 3 352.482 2.689 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000552518212 517292903 /nfs/dbraw/zinc/29/29/03/517292903.db2.gz WOZANAZFHCPELX-UXHICEINSA-N 1 3 357.498 2.599 20 0 FFADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000552518212 517292912 /nfs/dbraw/zinc/29/29/12/517292912.db2.gz WOZANAZFHCPELX-UXHICEINSA-N 1 3 357.498 2.599 20 0 FFADHO CC(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000548943432 517317923 /nfs/dbraw/zinc/31/79/23/517317923.db2.gz CIYQQAYRKHKDTM-SFHVURJKSA-N 1 3 352.498 2.658 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000520377882 517368150 /nfs/dbraw/zinc/36/81/50/517368150.db2.gz SWCOBSJMONDFSC-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000520377882 517368160 /nfs/dbraw/zinc/36/81/60/517368160.db2.gz SWCOBSJMONDFSC-WOJBJXKFSA-N 1 3 358.530 2.997 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000549104638 517400011 /nfs/dbraw/zinc/40/00/11/517400011.db2.gz TWGJWIMQJQIJRP-KRWDZBQOSA-N 1 3 352.910 2.728 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)[C@H](n2cncn2)C1 ZINC000559740517 517403991 /nfs/dbraw/zinc/40/39/91/517403991.db2.gz GSPNFHDMXWSIDW-LSTHTHJFSA-N 1 3 357.502 2.738 20 0 FFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537945390 517413173 /nfs/dbraw/zinc/41/31/73/517413173.db2.gz LKJZRQCLNROFTL-HPTBWKMGSA-N 1 3 353.869 2.903 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000562803293 517416003 /nfs/dbraw/zinc/41/60/03/517416003.db2.gz SLCDSPBHZSESPL-JPLJXNOCSA-N 1 3 358.530 2.886 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000545901082 517423041 /nfs/dbraw/zinc/42/30/41/517423041.db2.gz SDGSLCVRMVFJRX-HOJAQTOUSA-N 1 3 358.530 2.536 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000545901082 517423046 /nfs/dbraw/zinc/42/30/46/517423046.db2.gz SDGSLCVRMVFJRX-HOJAQTOUSA-N 1 3 358.530 2.536 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000549153084 517426562 /nfs/dbraw/zinc/42/65/62/517426562.db2.gz BALDYFVUSFCVBO-NUZGMZIFSA-N 1 3 355.526 2.998 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000520543121 517427523 /nfs/dbraw/zinc/42/75/23/517427523.db2.gz AIPBJDQNGBAZPY-HNNXBMFYSA-N 1 3 362.493 2.961 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000520543121 517427537 /nfs/dbraw/zinc/42/75/37/517427537.db2.gz AIPBJDQNGBAZPY-HNNXBMFYSA-N 1 3 362.493 2.961 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000520545182 517428740 /nfs/dbraw/zinc/42/87/40/517428740.db2.gz RQKSTVBIQFDSGF-INIZCTEOSA-N 1 3 352.498 2.629 20 0 FFADHO C[C@H]([NH3+])C1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC1 ZINC000562818525 517431714 /nfs/dbraw/zinc/43/17/14/517431714.db2.gz LGXHTSINIYOJDQ-KRWDZBQOSA-N 1 3 358.530 2.810 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000562821184 517432761 /nfs/dbraw/zinc/43/27/61/517432761.db2.gz YIAFJEUAYVVZJT-IPMKNSEASA-N 1 3 358.530 2.584 20 0 FFADHO CCCN(CC[NH+]1CCCC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000553056792 517501287 /nfs/dbraw/zinc/50/12/87/517501287.db2.gz XWZCAWDPEFSLQE-UHFFFAOYSA-N 1 3 372.557 2.533 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000520791747 517513476 /nfs/dbraw/zinc/51/34/76/517513476.db2.gz ALCNFVZZXICFDH-SFTDATJTSA-N 1 3 370.541 2.771 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000560056255 517555074 /nfs/dbraw/zinc/55/50/74/517555074.db2.gz GQQDFYAXOSUYJY-PKOBYXMFSA-N 1 3 358.530 2.983 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000516163891 517595090 /nfs/dbraw/zinc/59/50/90/517595090.db2.gz FNCJZFPHTNUJJU-GTAWCEEGSA-N 1 3 356.514 2.748 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000516163891 517595100 /nfs/dbraw/zinc/59/51/00/517595100.db2.gz FNCJZFPHTNUJJU-GTAWCEEGSA-N 1 3 356.514 2.748 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C12CCCC2 ZINC000538393035 517601639 /nfs/dbraw/zinc/60/16/39/517601639.db2.gz GZRDWOHDRKUUSD-NHCUHLMSSA-N 1 3 372.557 2.921 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000533812785 517622204 /nfs/dbraw/zinc/62/22/04/517622204.db2.gz MUQIMWCABXXNKZ-NSHGMRRFSA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000533812785 517622214 /nfs/dbraw/zinc/62/22/14/517622214.db2.gz MUQIMWCABXXNKZ-NSHGMRRFSA-N 1 3 360.546 2.721 20 0 FFADHO COc1cncc(/C=C\CCN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000563061613 517624420 /nfs/dbraw/zinc/62/44/20/517624420.db2.gz OBUXQNFCKWAJCN-XQRVVYSFSA-N 1 3 372.557 2.984 20 0 FFADHO CCOCc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1OC ZINC000530247934 517653619 /nfs/dbraw/zinc/65/36/19/517653619.db2.gz DQUIUDKWOIYXGR-HXUWFJFHSA-N 1 3 362.514 2.822 20 0 FFADHO COCCCOc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248442 517654769 /nfs/dbraw/zinc/65/47/69/517654769.db2.gz KSWFXMBFDLVINR-OAQYLSRUSA-N 1 3 362.514 2.692 20 0 FFADHO COC(=O)C(C)(C)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000527510924 517720532 /nfs/dbraw/zinc/72/05/32/517720532.db2.gz XEBXQBCCHLGFHF-CALCHBBNSA-N 1 3 354.535 2.787 20 0 FFADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000530412733 517759952 /nfs/dbraw/zinc/75/99/52/517759952.db2.gz VLRZOFZGKNGJES-QUCCMNQESA-N 1 3 354.498 2.544 20 0 FFADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000530412733 517759963 /nfs/dbraw/zinc/75/99/63/517759963.db2.gz VLRZOFZGKNGJES-QUCCMNQESA-N 1 3 354.498 2.544 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000530415289 517761900 /nfs/dbraw/zinc/76/19/00/517761900.db2.gz NCKDQEWEPHUBOV-FQEVSTJZSA-N 1 3 358.530 2.628 20 0 FFADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000556991066 517792057 /nfs/dbraw/zinc/79/20/57/517792057.db2.gz CUKOPAMXUCDYPQ-GOSISDBHSA-N 1 3 365.468 2.696 20 0 FFADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000556991066 517792068 /nfs/dbraw/zinc/79/20/68/517792068.db2.gz CUKOPAMXUCDYPQ-GOSISDBHSA-N 1 3 365.468 2.696 20 0 FFADHO C[NH+](C)CCN(C(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 ZINC000530579713 517861382 /nfs/dbraw/zinc/86/13/82/517861382.db2.gz ZSIXVLYRYMJCJX-UHFFFAOYSA-N 1 3 365.562 2.744 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccc3N(C)C)CC2)CC1 ZINC000563375447 517861705 /nfs/dbraw/zinc/86/17/05/517861705.db2.gz GUZLDRLSECZIPM-UHFFFAOYSA-N 1 3 372.557 2.565 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000557137798 517874873 /nfs/dbraw/zinc/87/48/73/517874873.db2.gz ODBZESORBDKQDZ-YESZJQIVSA-N 1 3 364.559 2.777 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000516857056 517875417 /nfs/dbraw/zinc/87/54/17/517875417.db2.gz MXWKYAQTBISCSD-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)NCC(C)(C)N3CCCCC3)C2)CC1 ZINC000534448092 517899544 /nfs/dbraw/zinc/89/95/44/517899544.db2.gz NXZPZQYRJNACEA-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CCOC(=O)CC(C)(C)CCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000553871608 517944894 /nfs/dbraw/zinc/94/48/94/517944894.db2.gz BRPCNDNJJIFHMI-KDURUIRLSA-N 1 3 367.578 2.846 20 0 FFADHO CCOC(=O)CC(C)(C)CCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000553871608 517944902 /nfs/dbraw/zinc/94/49/02/517944902.db2.gz BRPCNDNJJIFHMI-KDURUIRLSA-N 1 3 367.578 2.846 20 0 FFADHO CC[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000563544413 517974032 /nfs/dbraw/zinc/97/40/32/517974032.db2.gz MVEMTCDBTHUALE-CTNGQTDRSA-N 1 3 358.530 2.512 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1 ZINC000554016531 518027614 /nfs/dbraw/zinc/02/76/14/518027614.db2.gz IPXXCPAOGVSAEY-HXUWFJFHSA-N 1 3 359.514 2.573 20 0 FFADHO NC[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000517340571 518123170 /nfs/dbraw/zinc/12/31/70/518123170.db2.gz QJYDOJIMWWAFGD-HKBOAZHASA-N 1 3 366.509 2.871 20 0 FFADHO C[C@H]1[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CCN1Cc1ccccc1 ZINC000569611369 518206565 /nfs/dbraw/zinc/20/65/65/518206565.db2.gz SZPMOAWKQPVIRP-ICSRJNTNSA-N 1 3 370.541 2.919 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000566799234 518210942 /nfs/dbraw/zinc/21/09/42/518210942.db2.gz CJHCMLWQSPTXHU-LJQANCHMSA-N 1 3 356.514 2.536 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000581318802 518228414 /nfs/dbraw/zinc/22/84/14/518228414.db2.gz IKFNJNFLUKMBAL-INIZCTEOSA-N 1 3 357.489 2.877 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)C1 ZINC000584219821 518234721 /nfs/dbraw/zinc/23/47/21/518234721.db2.gz KDOFYXWKZYQGSD-SFTDATJTSA-N 1 3 354.498 2.650 20 0 FFADHO C[C@@]1(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]C1 ZINC000572618592 518280783 /nfs/dbraw/zinc/28/07/83/518280783.db2.gz SLPCEWNYTNZHSW-VQIMIIECSA-N 1 3 364.559 2.649 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)N2CCCC2)cc1 ZINC000584340275 518291878 /nfs/dbraw/zinc/29/18/78/518291878.db2.gz GCVNVBKZQRZJCU-SXLOBPIMSA-N 1 3 358.530 2.901 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3c3ccncc3)CC2)CC1 ZINC000581565258 518348575 /nfs/dbraw/zinc/34/85/75/518348575.db2.gz FSXHKWSMJLNTFR-OAQYLSRUSA-N 1 3 370.541 2.941 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)C1 ZINC000578738885 518351632 /nfs/dbraw/zinc/35/16/32/518351632.db2.gz JWNVVLRJFNLAAI-VQIMIIECSA-N 1 3 358.461 2.934 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569920553 518356005 /nfs/dbraw/zinc/35/60/05/518356005.db2.gz HUWXROXCGVKUID-HUUCEWRRSA-N 1 3 360.420 2.767 20 0 FFADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC[C@H](N3CCCC3)C2)[C@H](C(F)(F)F)C1 ZINC000569944925 518368744 /nfs/dbraw/zinc/36/87/44/518368744.db2.gz VZVSXDXLNSLOCR-RRFJBIMHSA-N 1 3 361.452 2.592 20 0 FFADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CC[C@H](N3CCCC3)C2)[C@H](C(F)(F)F)C1 ZINC000569944925 518368749 /nfs/dbraw/zinc/36/87/49/518368749.db2.gz VZVSXDXLNSLOCR-RRFJBIMHSA-N 1 3 361.452 2.592 20 0 FFADHO CN(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576015379 518387786 /nfs/dbraw/zinc/38/77/86/518387786.db2.gz HNKUAFVRWFLUGZ-XNMUZJSGSA-N 1 3 352.482 2.764 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000584579774 518407469 /nfs/dbraw/zinc/40/74/69/518407469.db2.gz KZUNIJYTOQSUNZ-XHSDSOJGSA-N 1 3 350.532 2.572 20 0 FFADHO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000570054924 518420440 /nfs/dbraw/zinc/42/04/40/518420440.db2.gz FULQZMQSIDXWCY-GBESFXJTSA-N 1 3 361.917 2.730 20 0 FFADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000584720841 518446332 /nfs/dbraw/zinc/44/63/32/518446332.db2.gz XCQINTBKZFKZEH-HNNXBMFYSA-N 1 3 361.873 2.887 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C[NH3+])C3CCCC3)c(C)c2)CC1 ZINC000578966478 518457325 /nfs/dbraw/zinc/45/73/25/518457325.db2.gz CFIJFGJWWUKIHS-HXUWFJFHSA-N 1 3 373.545 2.776 20 0 FFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000564452252 518458240 /nfs/dbraw/zinc/45/82/40/518458240.db2.gz BQKBMNSIYSMGTN-GRDNDAEWSA-N 1 3 357.420 2.683 20 0 FFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[C@H](C)O1 ZINC000570182952 518483428 /nfs/dbraw/zinc/48/34/28/518483428.db2.gz QZHQGUUPGNJHRV-GJZGRUSLSA-N 1 3 363.527 2.579 20 0 FFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000567383298 518497529 /nfs/dbraw/zinc/49/75/29/518497529.db2.gz XPTQDGSZYODLRW-WBVHZDCISA-N 1 3 367.484 2.881 20 0 FFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573090121 518504102 /nfs/dbraw/zinc/50/41/02/518504102.db2.gz RMQWHTZVHLWFNK-JOCHJYFZSA-N 1 3 370.585 2.799 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cncc(Br)c1 ZINC000564584344 518513844 /nfs/dbraw/zinc/51/38/44/518513844.db2.gz HMTIDGHTPAWICX-AWEZNQCLSA-N 1 3 355.324 2.522 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4cc[nH]c4n3)CC2)CC1 ZINC000576291869 518521216 /nfs/dbraw/zinc/52/12/16/518521216.db2.gz VQXFCYYWKKLADC-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000573245271 518574460 /nfs/dbraw/zinc/57/44/60/518574460.db2.gz UTCSDMPMBWJZMR-DLBZAZTESA-N 1 3 371.447 2.984 20 0 FFADHO C[NH+](C)CCc1ccccc1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000570390725 518581879 /nfs/dbraw/zinc/58/18/79/518581879.db2.gz LXPVJOBWRGOZBP-NRFANRHFSA-N 1 3 353.510 2.622 20 0 FFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576465407 518605918 /nfs/dbraw/zinc/60/59/18/518605918.db2.gz GACXRDWEYKXDKA-ZZVMVAFTSA-N 1 3 359.558 2.781 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000573342805 518620943 /nfs/dbraw/zinc/62/09/43/518620943.db2.gz HOGPHODAWPOYCZ-SFHVURJKSA-N 1 3 360.502 2.801 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000567647727 518630391 /nfs/dbraw/zinc/63/03/91/518630391.db2.gz QXZMUMNKWKTRBY-VDGAXYAQSA-N 1 3 364.493 2.927 20 0 FFADHO [NH3+][C@H]1C[C@H](NCc2ccc(CN3CCC(O)CC3)cc2)c2ccccc21 ZINC000564824697 518634717 /nfs/dbraw/zinc/63/47/17/518634717.db2.gz WRQJRTISSKTECL-VXKWHMMOSA-N 1 3 351.494 2.878 20 0 FFADHO NCc1cccnc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570499934 518637808 /nfs/dbraw/zinc/63/78/08/518637808.db2.gz UXVBSUSBJURLAC-RBUKOAKNSA-N 1 3 365.481 2.526 20 0 FFADHO NCc1cccnc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570499934 518637813 /nfs/dbraw/zinc/63/78/13/518637813.db2.gz UXVBSUSBJURLAC-RBUKOAKNSA-N 1 3 365.481 2.526 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000567678635 518646766 /nfs/dbraw/zinc/64/67/66/518646766.db2.gz XSQCEOGPBCDSIX-INIZCTEOSA-N 1 3 356.507 2.701 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000567678635 518646768 /nfs/dbraw/zinc/64/67/68/518646768.db2.gz XSQCEOGPBCDSIX-INIZCTEOSA-N 1 3 356.507 2.701 20 0 FFADHO COc1cc2c(c(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)c1)O[C@H](C)C2 ZINC000567711204 518669587 /nfs/dbraw/zinc/66/95/87/518669587.db2.gz JWAWTGZZDZKXIF-MMACOIQUSA-N 1 3 360.498 2.737 20 0 FFADHO CC(C)OCc1cccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000570570888 518673603 /nfs/dbraw/zinc/67/36/03/518673603.db2.gz JNKPPGXIYFCQEG-NHCUHLMSSA-N 1 3 373.541 2.549 20 0 FFADHO C[NH+](C)CCOc1ccc(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)cc1 ZINC000567729835 518679785 /nfs/dbraw/zinc/67/97/85/518679785.db2.gz FNTWDQAHELGRNU-HXUWFJFHSA-N 1 3 369.509 2.969 20 0 FFADHO C[C@H](NC(C)(C)CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000564922281 518696688 /nfs/dbraw/zinc/69/66/88/518696688.db2.gz PZYZLGQITURUGN-QFBILLFUSA-N 1 3 369.513 2.667 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000576687653 518713036 /nfs/dbraw/zinc/71/30/36/518713036.db2.gz ZRHSDUYOTSICBD-RYGJVYDSSA-N 1 3 352.482 2.951 20 0 FFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000582360731 518716749 /nfs/dbraw/zinc/71/67/49/518716749.db2.gz DQVDUQRACRRNPE-LVCYWYKZSA-N 1 3 369.534 2.885 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573549038 518718988 /nfs/dbraw/zinc/71/89/88/518718988.db2.gz VPMBUDITEFZQBU-SYYKKAFVSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000567818369 518729693 /nfs/dbraw/zinc/72/96/93/518729693.db2.gz YADAXVLXWWXDIZ-KKSFZXQISA-N 1 3 364.493 2.610 20 0 FFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000565046193 518758882 /nfs/dbraw/zinc/75/88/82/518758882.db2.gz JCXBYODQFLHTEY-MSOLQXFVSA-N 1 3 369.513 2.805 20 0 FFADHO Cc1nc(COc2ccc(C[N@H+]3CCC[C@H]4CN(C)CC[C@@H]43)cc2)no1 ZINC000582514392 518789729 /nfs/dbraw/zinc/78/97/29/518789729.db2.gz NEFHBLHQSJZZTH-HKUYNNGSSA-N 1 3 356.470 2.873 20 0 FFADHO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H]4CN(C)CC[C@@H]43)cc2)no1 ZINC000582514392 518789733 /nfs/dbraw/zinc/78/97/33/518789733.db2.gz NEFHBLHQSJZZTH-HKUYNNGSSA-N 1 3 356.470 2.873 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000579690604 518803955 /nfs/dbraw/zinc/80/39/55/518803955.db2.gz GWKUAJBAQFUUFB-WSTZPKSXSA-N 1 3 358.530 2.586 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000573724078 518804874 /nfs/dbraw/zinc/80/48/74/518804874.db2.gz OZMHVQBWQXIDLX-XJKSGUPXSA-N 1 3 366.303 2.615 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](CN)c1ccccc1 ZINC000567980093 518812244 /nfs/dbraw/zinc/81/22/44/518812244.db2.gz LMYPNIKPWIAIBO-OAQYLSRUSA-N 1 3 366.509 2.889 20 0 FFADHO O=C(CCNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1ccc(Cl)cc1 ZINC000579827110 518874599 /nfs/dbraw/zinc/87/45/99/518874599.db2.gz GXTIMLBSLZHPRF-QZTJIDSGSA-N 1 3 365.905 2.636 20 0 FFADHO CN(C)C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000579953850 518936964 /nfs/dbraw/zinc/93/69/64/518936964.db2.gz OKRZVCNKCPGZBV-SFHVURJKSA-N 1 3 360.889 2.901 20 0 FFADHO CCO[C@H](C)c1nc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000582849501 518952062 /nfs/dbraw/zinc/95/20/62/518952062.db2.gz VYEFOHKFLPTPME-IAGOWNOFSA-N 1 3 366.575 2.748 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000582894343 518973369 /nfs/dbraw/zinc/97/33/69/518973369.db2.gz OVSBCMXESKJGLU-BURNTYAHSA-N 1 3 370.541 2.819 20 0 FFADHO C[NH+](C)CCOc1cccc(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)c1 ZINC000580069136 518991862 /nfs/dbraw/zinc/99/18/62/518991862.db2.gz LHPIMUHPRHRFQL-HXUWFJFHSA-N 1 3 369.509 2.969 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C1 ZINC000571269003 519010903 /nfs/dbraw/zinc/01/09/03/519010903.db2.gz HPPDXORNVNFZHE-PKOBYXMFSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000583014905 519035626 /nfs/dbraw/zinc/03/56/26/519035626.db2.gz IHRWIZKNKMZOSR-RTWAWAEBSA-N 1 3 373.541 2.791 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cccc(NS(C)(=O)=O)c1 ZINC000589641144 519051972 /nfs/dbraw/zinc/05/19/72/519051972.db2.gz GNAXUCJIZJZPRI-INIZCTEOSA-N 1 3 353.532 2.802 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cccc(NS(C)(=O)=O)c1 ZINC000589641144 519051976 /nfs/dbraw/zinc/05/19/76/519051976.db2.gz GNAXUCJIZJZPRI-INIZCTEOSA-N 1 3 353.532 2.802 20 0 FFADHO Cc1cccc(CCN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000565772190 519125976 /nfs/dbraw/zinc/12/59/76/519125976.db2.gz NESGIPJSKOBWPR-UHFFFAOYSA-N 1 3 372.557 2.637 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000568621452 519132953 /nfs/dbraw/zinc/13/29/53/519132953.db2.gz OIMNLSAEDJCXIV-ZBFHGGJFSA-N 1 3 371.319 2.510 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000574426900 519151583 /nfs/dbraw/zinc/15/15/83/519151583.db2.gz OBRAKGYFDYJMGJ-UTKZUKDTSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)(O)[C@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000580402524 519156464 /nfs/dbraw/zinc/15/64/64/519156464.db2.gz PTQZKTVOBKKQKM-RTBURBONSA-N 1 3 361.530 2.552 20 0 FFADHO CC(C)(O)[C@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000580402524 519156470 /nfs/dbraw/zinc/15/64/70/519156470.db2.gz PTQZKTVOBKKQKM-RTBURBONSA-N 1 3 361.530 2.552 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(OC)c(OC)c2C)C1 ZINC000583289913 519169786 /nfs/dbraw/zinc/16/97/86/519169786.db2.gz YEVHNSVSSYNCOR-SFHVURJKSA-N 1 3 350.503 2.945 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000574493364 519180006 /nfs/dbraw/zinc/18/00/06/519180006.db2.gz FYBKDHVCNHMHLA-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000574493364 519180014 /nfs/dbraw/zinc/18/00/14/519180014.db2.gz FYBKDHVCNHMHLA-WOJBJXKFSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000583311829 519182675 /nfs/dbraw/zinc/18/26/75/519182675.db2.gz YBNOTZBYPNNXSW-UIBIWLFHSA-N 1 3 364.559 2.818 20 0 FFADHO C[C@H]1[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000568730527 519186063 /nfs/dbraw/zinc/18/60/63/519186063.db2.gz BMZFUMGJEFZGFN-CGBFIWBNSA-N 1 3 358.530 2.714 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCC1(c2ccccc2)CCCC1 ZINC000568765743 519205192 /nfs/dbraw/zinc/20/51/92/519205192.db2.gz ZFXFCPFNZOSQIA-UXHICEINSA-N 1 3 369.553 2.936 20 0 FFADHO Cn1ccnc1COc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000580564102 519243072 /nfs/dbraw/zinc/24/30/72/519243072.db2.gz LEIBMEKJEMTWRO-IBGZPJMESA-N 1 3 354.498 2.821 20 0 FFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000571770787 519267914 /nfs/dbraw/zinc/26/79/14/519267914.db2.gz HOJSUIXRSBMFJL-WMZOPIPTSA-N 1 3 358.511 2.923 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000580621647 519269516 /nfs/dbraw/zinc/26/95/16/519269516.db2.gz HGXPSSPORNCWLW-FXAWDEMLSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000580621647 519269524 /nfs/dbraw/zinc/26/95/24/519269524.db2.gz HGXPSSPORNCWLW-FXAWDEMLSA-N 1 3 360.546 2.925 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4nc(C)cn4c3)CC2)CC1 ZINC000571773524 519269730 /nfs/dbraw/zinc/26/97/30/519269730.db2.gz FGJANHJPDJBTGU-UHFFFAOYSA-N 1 3 369.513 2.778 20 0 FFADHO C[C@H]1C[C@H](NC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[NH2+]1 ZINC000577829111 519275093 /nfs/dbraw/zinc/27/50/93/519275093.db2.gz RAOGSRXIDOUSIC-FUHWJXTLSA-N 1 3 360.502 2.813 20 0 FFADHO O[C@H](CCc1ccccc1)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566091161 519293020 /nfs/dbraw/zinc/29/30/20/519293020.db2.gz UXGIHVOOBFJUEO-CBQOVEMMSA-N 1 3 352.478 2.826 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c2ccccc2)CC1 ZINC000568965997 519307993 /nfs/dbraw/zinc/30/79/93/519307993.db2.gz WWLUNURKTLMIFF-MISYRCLQSA-N 1 3 358.530 2.899 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)Cc1ccccc1 ZINC000580723353 519324479 /nfs/dbraw/zinc/32/44/79/519324479.db2.gz XDDIVYCNDIIPIL-OAQYLSRUSA-N 1 3 353.510 2.693 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000569215818 519439250 /nfs/dbraw/zinc/43/92/50/519439250.db2.gz ZBTJTSJIIMCBGE-LJQANCHMSA-N 1 3 360.546 2.974 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CNCc2ccccc21 ZINC000578190136 519466416 /nfs/dbraw/zinc/46/64/16/519466416.db2.gz WQUWIPZYKJRVOM-JXFKEZNVSA-N 1 3 369.534 2.963 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CNCc2ccccc21 ZINC000578190136 519466422 /nfs/dbraw/zinc/46/64/22/519466422.db2.gz WQUWIPZYKJRVOM-JXFKEZNVSA-N 1 3 369.534 2.963 20 0 FFADHO COCCC[NH+]1CCC(NC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569351319 519507656 /nfs/dbraw/zinc/50/76/56/519507656.db2.gz YGBJXHQTVMRFSS-SFHVURJKSA-N 1 3 374.447 2.699 20 0 FFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000575121674 519511354 /nfs/dbraw/zinc/51/13/54/519511354.db2.gz UMKSTGBOTDGDBC-LJQANCHMSA-N 1 3 362.562 2.912 20 0 FFADHO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000581126366 519535445 /nfs/dbraw/zinc/53/54/45/519535445.db2.gz HBNWDFXBMVBFMZ-FQEVSTJZSA-N 1 3 360.498 2.626 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000584170830 519622202 /nfs/dbraw/zinc/62/22/02/519622202.db2.gz MBDSISMAPRVMTC-DENIHFKCSA-N 1 3 363.505 2.554 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000584170830 519622204 /nfs/dbraw/zinc/62/22/04/519622204.db2.gz MBDSISMAPRVMTC-DENIHFKCSA-N 1 3 363.505 2.554 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000608423667 519971510 /nfs/dbraw/zinc/97/15/10/519971510.db2.gz MFPFZIRCMGECMV-HXUWFJFHSA-N 1 3 374.504 2.841 20 0 FFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000608617515 520048165 /nfs/dbraw/zinc/04/81/65/520048165.db2.gz WXRBIDJDWWJQSX-LJQANCHMSA-N 1 3 358.530 2.777 20 0 FFADHO COC(=O)c1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000608864866 520149772 /nfs/dbraw/zinc/14/97/72/520149772.db2.gz UTTPVRIAVMLWQO-IRXDYDNUSA-N 1 3 360.498 2.794 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612985610 520257462 /nfs/dbraw/zinc/25/74/62/520257462.db2.gz GYAQSXZBSJHZFB-MRXNPFEDSA-N 1 3 350.551 2.671 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612988144 520257863 /nfs/dbraw/zinc/25/78/63/520257863.db2.gz OTULCZIXLNGQTJ-RBUKOAKNSA-N 1 3 374.529 2.518 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000616993370 520263491 /nfs/dbraw/zinc/26/34/91/520263491.db2.gz HFHBAYDUOGJPOR-OALUTQOASA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000616993370 520263495 /nfs/dbraw/zinc/26/34/95/520263495.db2.gz HFHBAYDUOGJPOR-OALUTQOASA-N 1 3 358.530 2.530 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000592474680 520404794 /nfs/dbraw/zinc/40/47/94/520404794.db2.gz HPDAAMYFFAHCDZ-MOPGFXCFSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000592474680 520404802 /nfs/dbraw/zinc/40/48/02/520404802.db2.gz HPDAAMYFFAHCDZ-MOPGFXCFSA-N 1 3 356.514 2.577 20 0 FFADHO C[NH+]1CCC(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604193585 520481438 /nfs/dbraw/zinc/48/14/38/520481438.db2.gz ALKNNEOOTRZWLI-FQEVSTJZSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(-c2cscn2)c1 ZINC000617505834 520541459 /nfs/dbraw/zinc/54/14/59/520541459.db2.gz RKJFBXJWSSLMMC-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(-c2cscn2)c1 ZINC000617505834 520541472 /nfs/dbraw/zinc/54/14/72/520541472.db2.gz RKJFBXJWSSLMMC-HNNXBMFYSA-N 1 3 360.527 2.812 20 0 FFADHO CCOc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506238 520542527 /nfs/dbraw/zinc/54/25/27/520542527.db2.gz GSJBOTQJSWHOPB-AWEZNQCLSA-N 1 3 355.910 2.741 20 0 FFADHO CCOc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506238 520542532 /nfs/dbraw/zinc/54/25/32/520542532.db2.gz GSJBOTQJSWHOPB-AWEZNQCLSA-N 1 3 355.910 2.741 20 0 FFADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cn(C)c2ccccc12 ZINC000617507421 520545536 /nfs/dbraw/zinc/54/55/36/520545536.db2.gz WCQPUJMUSMTGFH-DLBZAZTESA-N 1 3 358.530 2.670 20 0 FFADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cn(C)c2ccccc12 ZINC000617507421 520545545 /nfs/dbraw/zinc/54/55/45/520545545.db2.gz WCQPUJMUSMTGFH-DLBZAZTESA-N 1 3 358.530 2.670 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(Br)c1F ZINC000617507272 520545831 /nfs/dbraw/zinc/54/58/31/520545831.db2.gz PBEOVSBSKYXCPS-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(Br)c1F ZINC000617507272 520545837 /nfs/dbraw/zinc/54/58/37/520545837.db2.gz PBEOVSBSKYXCPS-LBPRGKRZSA-N 1 3 374.298 2.590 20 0 FFADHO C[C@@H](NC(C)(C)CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592959271 520660914 /nfs/dbraw/zinc/66/09/14/520660914.db2.gz RAVZNXPBICJPBQ-WBVHZDCISA-N 1 3 369.513 2.578 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000601207863 520686079 /nfs/dbraw/zinc/68/60/79/520686079.db2.gz LMPISXZXNCPVPU-WOJBJXKFSA-N 1 3 358.530 2.996 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000601243885 520705578 /nfs/dbraw/zinc/70/55/78/520705578.db2.gz VKYBGIJCNDOWNZ-PMACEKPBSA-N 1 3 358.530 2.996 20 0 FFADHO CCOC(=O)c1ccc(-c2ccc(CNCC3(O)CC[NH+](C)CC3)o2)cc1 ZINC000614243003 520871198 /nfs/dbraw/zinc/87/11/98/520871198.db2.gz SWVMHKRARKLVKR-UHFFFAOYSA-N 1 3 372.465 2.670 20 0 FFADHO CN(C)[C@@H]1CCC[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000599386162 521189539 /nfs/dbraw/zinc/18/95/39/521189539.db2.gz RLIJTQDFHOFJLW-OHTSDLOESA-N 1 3 354.535 2.666 20 0 FFADHO CN(C)[C@@H]1CCC[N@@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000599386162 521189550 /nfs/dbraw/zinc/18/95/50/521189550.db2.gz RLIJTQDFHOFJLW-OHTSDLOESA-N 1 3 354.535 2.666 20 0 FFADHO C[NH+](C)[C@@H]1CCCN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000599386162 521189557 /nfs/dbraw/zinc/18/95/57/521189557.db2.gz RLIJTQDFHOFJLW-OHTSDLOESA-N 1 3 354.535 2.666 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000602546411 521405652 /nfs/dbraw/zinc/40/56/52/521405652.db2.gz RTHGSSCTWBZELG-YOEHRIQHSA-N 1 3 354.516 2.761 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000602546410 521405874 /nfs/dbraw/zinc/40/58/74/521405874.db2.gz RTHGSSCTWBZELG-WMLDXEAASA-N 1 3 354.516 2.761 20 0 FFADHO COC(=O)[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000597222396 521583212 /nfs/dbraw/zinc/58/32/12/521583212.db2.gz OUODHKRPHVHPBM-FXAWDEMLSA-N 1 3 360.498 2.792 20 0 FFADHO OCCNC1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000631864442 521766243 /nfs/dbraw/zinc/76/62/43/521766243.db2.gz PCSKUVQVJHRCQH-UHFFFAOYSA-N 1 3 360.420 2.911 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000628744277 521768532 /nfs/dbraw/zinc/76/85/32/521768532.db2.gz FAPJLBXICCDIAB-MOPGFXCFSA-N 1 3 361.505 2.886 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000628744277 521768534 /nfs/dbraw/zinc/76/85/34/521768534.db2.gz FAPJLBXICCDIAB-MOPGFXCFSA-N 1 3 361.505 2.886 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCCC[N@H+](C)C3)cc2)CC1 ZINC000628756902 521778265 /nfs/dbraw/zinc/77/82/65/521778265.db2.gz XHYIJRZXOPFXIX-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCCC[N@@H+](C)C3)cc2)CC1 ZINC000628756902 521778271 /nfs/dbraw/zinc/77/82/71/521778271.db2.gz XHYIJRZXOPFXIX-LJQANCHMSA-N 1 3 372.557 2.679 20 0 FFADHO Nc1ccc(-c2cccc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)n2)cc1 ZINC000634994451 521857635 /nfs/dbraw/zinc/85/76/35/521857635.db2.gz DGEYILDZWKWYDM-KRWDZBQOSA-N 1 3 352.482 2.518 20 0 FFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635004699 521862786 /nfs/dbraw/zinc/86/27/86/521862786.db2.gz GBTHLCFOPIWHMG-SYYKKAFVSA-N 1 3 352.526 2.842 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635011331 521864985 /nfs/dbraw/zinc/86/49/85/521864985.db2.gz NDZFOVLFJPRUAZ-YOEHRIQHSA-N 1 3 353.532 2.877 20 0 FFADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000635011351 521866735 /nfs/dbraw/zinc/86/67/35/521866735.db2.gz DWMLDHHLQOGHBN-GRGSLBFTSA-N 1 3 350.528 2.704 20 0 FFADHO C[C@H](CC(=O)NCCc1ccccc1)NCc1cccc2c1CC[NH2+]C2 ZINC000635012976 521868583 /nfs/dbraw/zinc/86/85/83/521868583.db2.gz XYABKAFGPHSQEA-QGZVFWFLSA-N 1 3 351.494 2.559 20 0 FFADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(NS(C)(=O)=O)c1 ZINC000635011553 521868618 /nfs/dbraw/zinc/86/86/18/521868618.db2.gz QOEANLCEEMIKJO-CQSZACIVSA-N 1 3 359.495 2.555 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)cc(OC)c1 ZINC000623444805 522027573 /nfs/dbraw/zinc/02/75/73/522027573.db2.gz SSSLPEJVXWWUGN-MSOLQXFVSA-N 1 3 361.530 2.741 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)cc(OC)c1 ZINC000623444805 522027580 /nfs/dbraw/zinc/02/75/80/522027580.db2.gz SSSLPEJVXWWUGN-MSOLQXFVSA-N 1 3 361.530 2.741 20 0 FFADHO CCN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000623543546 522106868 /nfs/dbraw/zinc/10/68/68/522106868.db2.gz YRTNDOKODRGQPJ-LEWJYISDSA-N 1 3 355.526 2.745 20 0 FFADHO CCN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000623543546 522106876 /nfs/dbraw/zinc/10/68/76/522106876.db2.gz YRTNDOKODRGQPJ-LEWJYISDSA-N 1 3 355.526 2.745 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000623566599 522126569 /nfs/dbraw/zinc/12/65/69/522126569.db2.gz XRCURQJOVNJAFW-VQTJNVASSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000623566599 522126578 /nfs/dbraw/zinc/12/65/78/522126578.db2.gz XRCURQJOVNJAFW-VQTJNVASSA-N 1 3 358.530 2.914 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000623642630 522188530 /nfs/dbraw/zinc/18/85/30/522188530.db2.gz JPTQELRESLUZMC-HXUWFJFHSA-N 1 3 372.557 2.874 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000623642630 522188536 /nfs/dbraw/zinc/18/85/36/522188536.db2.gz JPTQELRESLUZMC-HXUWFJFHSA-N 1 3 372.557 2.874 20 0 FFADHO CN1CCC(N2CC[C@@H]([NH2+]CC3(O)CCC(c4ccccc4)CC3)C2)CC1 ZINC000629565362 522319632 /nfs/dbraw/zinc/31/96/32/522319632.db2.gz WIKWEDXOVRUOOW-WQMHRJNTSA-N 1 3 371.569 2.833 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Sc1ccc(Br)cc1 ZINC000629566447 522322759 /nfs/dbraw/zinc/32/27/59/522322759.db2.gz ZIHNYCDBSQANBC-DZGCQCFKSA-N 1 3 373.360 2.976 20 0 FFADHO C[NH2+]CCOCCN(C)CCOc1ccc(Cl)cc1Br ZINC000629568861 522324722 /nfs/dbraw/zinc/32/47/22/522324722.db2.gz MBAHRAWLGIQQLJ-UHFFFAOYSA-N 1 3 365.699 2.649 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000632914302 522389633 /nfs/dbraw/zinc/38/96/33/522389633.db2.gz IUZMLGMSAXSBSC-AABGKKOBSA-N 1 3 364.578 2.918 20 0 FFADHO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCOCCN(C)C ZINC000623967572 522394869 /nfs/dbraw/zinc/39/48/69/522394869.db2.gz CAPWMBAANSEZIG-NSHDSACASA-N 1 3 353.816 2.853 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000624119336 522489081 /nfs/dbraw/zinc/48/90/81/522489081.db2.gz ACDSVLQBTQGZSQ-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119336 522489091 /nfs/dbraw/zinc/48/90/91/522489091.db2.gz ACDSVLQBTQGZSQ-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119336 522489101 /nfs/dbraw/zinc/48/91/01/522489101.db2.gz ACDSVLQBTQGZSQ-CVEARBPZSA-N 1 3 363.502 2.742 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624120960 522491218 /nfs/dbraw/zinc/49/12/18/522491218.db2.gz KVACYWSEUUNQOF-IRXDYDNUSA-N 1 3 365.543 2.609 20 0 FFADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)C1CC[NH+](C)CC1 ZINC000624166594 522519097 /nfs/dbraw/zinc/51/90/97/522519097.db2.gz FYWOIXFZBZNRKD-LRDDRELGSA-N 1 3 353.869 2.904 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000624544750 522766880 /nfs/dbraw/zinc/76/68/80/522766880.db2.gz BOJZDSCBBAWWML-AZUAARDMSA-N 1 3 362.562 2.815 20 0 FFADHO O=C(NC[C@H]1CCN1C1CCCCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624544750 522766891 /nfs/dbraw/zinc/76/68/91/522766891.db2.gz BOJZDSCBBAWWML-AZUAARDMSA-N 1 3 362.562 2.815 20 0 FFADHO CC[NH2+]CCCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000634133333 523204407 /nfs/dbraw/zinc/20/44/07/523204407.db2.gz XAKFQYSORPRXNJ-OAQYLSRUSA-N 1 3 358.530 2.684 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636874860 523268688 /nfs/dbraw/zinc/26/86/88/523268688.db2.gz USVWBOCPMVQLMB-KRWDZBQOSA-N 1 3 352.910 2.555 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631043428 523327520 /nfs/dbraw/zinc/32/75/20/523327520.db2.gz VTXUPNYJRRJYFO-AWEZNQCLSA-N 1 3 373.950 2.589 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631043428 523327528 /nfs/dbraw/zinc/32/75/28/523327528.db2.gz VTXUPNYJRRJYFO-AWEZNQCLSA-N 1 3 373.950 2.589 20 0 FFADHO O[C@]1(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)CCN(Cc2ccccc2)C1 ZINC000634637224 523539837 /nfs/dbraw/zinc/53/98/37/523539837.db2.gz QPQUPMQONWCUHK-UNMCSNQZSA-N 1 3 369.509 2.643 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637373693 523592903 /nfs/dbraw/zinc/59/29/03/523592903.db2.gz QLNCKWYJMNOLON-VQIMIIECSA-N 1 3 350.551 2.765 20 0 FFADHO O[C@]1(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708926 523597240 /nfs/dbraw/zinc/59/72/40/523597240.db2.gz BFEIPSXOWLDWCD-VJBWXMMDSA-N 1 3 366.505 2.991 20 0 FFADHO O[C@]1(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708926 523597248 /nfs/dbraw/zinc/59/72/48/523597248.db2.gz BFEIPSXOWLDWCD-VJBWXMMDSA-N 1 3 366.505 2.991 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1=CCN(C)CC1 ZINC000634711463 523600432 /nfs/dbraw/zinc/60/04/32/523600432.db2.gz PHTAAQYEMLTFHV-MLGOLLRUSA-N 1 3 359.297 2.973 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC(F)(F)CC3)CC2)CC1 ZINC000628633922 523643427 /nfs/dbraw/zinc/64/34/27/523643427.db2.gz VTIMUPKRUVZXEI-UHFFFAOYSA-N 1 3 357.489 2.831 20 0 FFADHO C[N@@H+]1CCC[C@H]1CCN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797615 523694921 /nfs/dbraw/zinc/69/49/21/523694921.db2.gz WMOVQHWBOHHNFB-ROUUACIJSA-N 1 3 367.331 2.743 20 0 FFADHO C[N@H+]1CCC[C@H]1CCN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797615 523694923 /nfs/dbraw/zinc/69/49/23/523694923.db2.gz WMOVQHWBOHHNFB-ROUUACIJSA-N 1 3 367.331 2.743 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631565897 523695926 /nfs/dbraw/zinc/69/59/26/523695926.db2.gz KPXFYVAFVLUULZ-LJQANCHMSA-N 1 3 361.530 2.916 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCNc4cnccn4)[C@H]3C2)cc1 ZINC000512648883 561911178 /nfs/dbraw/zinc/91/11/78/561911178.db2.gz PIXGXJVTFVASAS-SLFFLAALSA-N 1 3 351.498 2.779 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCNc4cnccn4)[C@H]3C2)cc1 ZINC000512648883 561911179 /nfs/dbraw/zinc/91/11/79/561911179.db2.gz PIXGXJVTFVASAS-SLFFLAALSA-N 1 3 351.498 2.779 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCNc4cnccn4)[C@H]3C2)cc1 ZINC000512648883 561911180 /nfs/dbraw/zinc/91/11/80/561911180.db2.gz PIXGXJVTFVASAS-SLFFLAALSA-N 1 3 351.498 2.779 20 0 FFADHO c1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826513644 607750815 /nfs/dbraw/zinc/75/08/15/607750815.db2.gz RGCZYYLCXGTEGD-UHFFFAOYSA-N 1 3 354.502 2.955 20 0 FFADHO c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826513644 607750816 /nfs/dbraw/zinc/75/08/16/607750816.db2.gz RGCZYYLCXGTEGD-UHFFFAOYSA-N 1 3 354.502 2.955 20 0 FFADHO CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000825453851 608514574 /nfs/dbraw/zinc/51/45/74/608514574.db2.gz XAHBJDBLPLZCTA-LJQANCHMSA-N 1 3 354.502 2.956 20 0 FFADHO CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000825453851 608514575 /nfs/dbraw/zinc/51/45/75/608514575.db2.gz XAHBJDBLPLZCTA-LJQANCHMSA-N 1 3 354.502 2.956 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N)n1)CC2 ZINC001164710647 720106711 /nfs/dbraw/zinc/10/67/11/720106711.db2.gz KKEDNVXPDKPYON-SFHVURJKSA-N 1 3 367.497 2.566 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N)n1)CC2 ZINC001164710647 720106716 /nfs/dbraw/zinc/10/67/16/720106716.db2.gz KKEDNVXPDKPYON-SFHVURJKSA-N 1 3 367.497 2.566 20 0 FFADHO COc1cc(Br)c(CNCC2CC[NH+](C)CC2)cc1OC ZINC000044516440 727987197 /nfs/dbraw/zinc/98/71/97/727987197.db2.gz BFIMNIODDGJOHL-UHFFFAOYSA-N 1 3 357.292 2.898 20 0 FFADHO CCC[NH+]1CCN(c2ccccc2CNCC[S@@](=O)C(C)(C)C)CC1 ZINC000088726263 728438150 /nfs/dbraw/zinc/43/81/50/728438150.db2.gz HFYCBTQNIXSVMH-VWLOTQADSA-N 1 3 365.587 2.855 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000333272031 729806506 /nfs/dbraw/zinc/80/65/06/729806506.db2.gz GGBXFDWIFXMTIL-AWEZNQCLSA-N 1 3 366.893 2.768 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000509574847 729928868 /nfs/dbraw/zinc/92/88/68/729928868.db2.gz KMNSEPBABJSRGA-KBPBESRZSA-N 1 3 361.452 2.640 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638231951 730016594 /nfs/dbraw/zinc/01/65/94/730016594.db2.gz QHSJJHJTZIXTGW-INIZCTEOSA-N 1 3 355.404 2.643 20 0 FFADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000638286516 730019306 /nfs/dbraw/zinc/01/93/06/730019306.db2.gz OYEBDOSUWPXGSH-KRWDZBQOSA-N 1 3 351.560 2.710 20 0 FFADHO COc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)ccc1OC(F)F ZINC000638303132 730020324 /nfs/dbraw/zinc/02/03/24/730020324.db2.gz BRHSZFSCGZDVCL-UHFFFAOYSA-N 1 3 358.429 2.622 20 0 FFADHO CO[C@]1(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCOC1 ZINC000638530463 730030970 /nfs/dbraw/zinc/03/09/70/730030970.db2.gz MEJYSGBCERFBRS-IBGZPJMESA-N 1 3 352.906 2.947 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1([NH3+])CCC1 ZINC000646254088 730646170 /nfs/dbraw/zinc/64/61/70/730646170.db2.gz PDKBUDYECCLXBI-UHFFFAOYSA-N 1 3 357.420 2.867 20 0 FFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCN3CCOC[C@H]3C)C2)s1 ZINC000649603412 730899167 /nfs/dbraw/zinc/89/91/67/730899167.db2.gz LOJNKLNQXUADIG-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCN3CCOC[C@H]3C)C2)s1 ZINC000649603412 730899168 /nfs/dbraw/zinc/89/91/68/730899168.db2.gz LOJNKLNQXUADIG-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCN3CCOC[C@H]3C)C2)s1 ZINC000649603412 730899169 /nfs/dbraw/zinc/89/91/69/730899169.db2.gz LOJNKLNQXUADIG-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCN3CCOC[C@H]3C)C2)s1 ZINC000649603412 730899171 /nfs/dbraw/zinc/89/91/71/730899171.db2.gz LOJNKLNQXUADIG-SJLPKXTDSA-N 1 3 351.560 2.531 20 0 FFADHO COCC[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000865419047 730952593 /nfs/dbraw/zinc/95/25/93/730952593.db2.gz MXUSIIHHLRRINU-INIZCTEOSA-N 1 3 357.539 2.769 20 0 FFADHO COCC[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC000865419047 730952594 /nfs/dbraw/zinc/95/25/94/730952594.db2.gz MXUSIIHHLRRINU-INIZCTEOSA-N 1 3 357.539 2.769 20 0 FFADHO CC(C)N1CCC(CC[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000866467572 731064068 /nfs/dbraw/zinc/06/40/68/731064068.db2.gz KXOBTDBHPXVPBG-KRWDZBQOSA-N 1 3 352.544 2.949 20 0 FFADHO CC1(C)CCNCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000866699437 731089095 /nfs/dbraw/zinc/08/90/95/731089095.db2.gz PIAQWSUHVAEGJR-UHFFFAOYSA-N 1 3 354.292 2.852 20 0 FFADHO CC1(C)CCNCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000866699437 731089098 /nfs/dbraw/zinc/08/90/98/731089098.db2.gz PIAQWSUHVAEGJR-UHFFFAOYSA-N 1 3 354.292 2.852 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652280196 731180182 /nfs/dbraw/zinc/18/01/82/731180182.db2.gz BTWVXVUSRYILLP-UHFFFAOYSA-N 1 3 350.482 2.548 20 0 FFADHO CCN(CC)[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000655688804 731498672 /nfs/dbraw/zinc/49/86/72/731498672.db2.gz JATFTQLUEPXCSM-OALUTQOASA-N 1 3 351.560 2.974 20 0 FFADHO FC(F)(F)COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940405 731529254 /nfs/dbraw/zinc/52/92/54/731529254.db2.gz AJPVJVZWRMJINW-KGLIPLIRSA-N 1 3 358.408 2.629 20 0 FFADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(N2CCCOC2=O)cc1 ZINC000925778659 738529461 /nfs/dbraw/zinc/52/94/61/738529461.db2.gz USLQIVHHKJSFRS-DZGCQCFKSA-N 1 3 353.413 2.929 20 0 FFADHO CC(C)[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)ccc1F ZINC000925852430 738536928 /nfs/dbraw/zinc/53/69/28/738536928.db2.gz URKRZQDKTQVRMM-WMLDXEAASA-N 1 3 352.425 2.937 20 0 FFADHO O=C(NC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1)c1ccccc1 ZINC000873202572 731890022 /nfs/dbraw/zinc/89/00/22/731890022.db2.gz SSZOXHCOPTVGEZ-UHFFFAOYSA-N 1 3 355.507 2.788 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)c2)nn1 ZINC000873215477 731891721 /nfs/dbraw/zinc/89/17/21/731891721.db2.gz BETLWGTVHOUAAD-KGLIPLIRSA-N 1 3 353.392 2.937 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000660500110 732116024 /nfs/dbraw/zinc/11/60/24/732116024.db2.gz KAMQSTJQHOVCOJ-SFHVURJKSA-N 1 3 350.551 2.813 20 0 FFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000876873376 732290359 /nfs/dbraw/zinc/29/03/59/732290359.db2.gz DWJUUZUHWSLHLO-UHFFFAOYSA-N 1 3 364.559 2.865 20 0 FFADHO COc1ccc(Br)cc1C1(NC[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662284514 732293231 /nfs/dbraw/zinc/29/32/31/732293231.db2.gz WHHBUSAURSEUPT-ZDUSSCGKSA-N 1 3 367.287 2.557 20 0 FFADHO Clc1ccc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cc1 ZINC000662334936 732299824 /nfs/dbraw/zinc/29/98/24/732299824.db2.gz DQHHPINENSWDSC-MRXNPFEDSA-N 1 3 359.905 2.852 20 0 FFADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878161316 732490876 /nfs/dbraw/zinc/49/08/76/732490876.db2.gz ODLCRUOQWUJTLO-GJZGRUSLSA-N 1 3 351.922 2.974 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H]1CCN(C)C1 ZINC000664212835 732552765 /nfs/dbraw/zinc/55/27/65/732552765.db2.gz WNUIBLKVPGVVFG-JZXOWHBKSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@@H]1CCN(C)C1 ZINC000664212835 732552767 /nfs/dbraw/zinc/55/27/67/732552767.db2.gz WNUIBLKVPGVVFG-JZXOWHBKSA-N 1 3 364.559 2.867 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664316034 732566830 /nfs/dbraw/zinc/56/68/30/732566830.db2.gz ZJPSCVDLSKOYTG-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664316034 732566836 /nfs/dbraw/zinc/56/68/36/732566836.db2.gz ZJPSCVDLSKOYTG-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000664801260 732633490 /nfs/dbraw/zinc/63/34/90/732633490.db2.gz ANVWHQJVGUVOLO-JCGIZDLHSA-N 1 3 366.937 2.767 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000664801260 732633491 /nfs/dbraw/zinc/63/34/91/732633491.db2.gz ANVWHQJVGUVOLO-JCGIZDLHSA-N 1 3 366.937 2.767 20 0 FFADHO CN1CC[NH+](C2CCN(CCCOc3cccc(Cl)c3)CC2)CC1 ZINC000879592088 732730176 /nfs/dbraw/zinc/73/01/76/732730176.db2.gz DEZNANIHJKXBGW-UHFFFAOYSA-N 1 3 351.922 2.821 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC2(CC2(F)F)CC1 ZINC000665763955 732753705 /nfs/dbraw/zinc/75/37/05/732753705.db2.gz PWQZSHCCIGCJMP-UQPPLGOBSA-N 1 3 360.493 2.526 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC2(CC2(F)F)CC1 ZINC000665763955 732753706 /nfs/dbraw/zinc/75/37/06/732753706.db2.gz PWQZSHCCIGCJMP-UQPPLGOBSA-N 1 3 360.493 2.526 20 0 FFADHO C[NH+](C)Cc1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000666284243 732826816 /nfs/dbraw/zinc/82/68/16/732826816.db2.gz SBYKTQGOSMRZJM-LSDHHAIUSA-N 1 3 360.376 2.671 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000666857657 732909231 /nfs/dbraw/zinc/90/92/31/732909231.db2.gz CWIUHSGXBWQIHG-OCCSQVGLSA-N 1 3 354.292 2.898 20 0 FFADHO CS(=O)(=O)CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886594611 733807528 /nfs/dbraw/zinc/80/75/28/733807528.db2.gz QCWHONIFUFAMLI-UFYCRDLUSA-N 1 3 364.555 2.844 20 0 FFADHO Cc1csc(C[C@H]2CCC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000886858046 733850062 /nfs/dbraw/zinc/85/00/62/733850062.db2.gz KGXOVFUARBPLDU-QYZOEREBSA-N 1 3 359.539 2.637 20 0 FFADHO Cc1csc(C[C@H]2CCC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000886858046 733850065 /nfs/dbraw/zinc/85/00/65/733850065.db2.gz KGXOVFUARBPLDU-QYZOEREBSA-N 1 3 359.539 2.637 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727076326 734463713 /nfs/dbraw/zinc/46/37/13/734463713.db2.gz DGDQUBGPUXOUJK-UHFFFAOYSA-N 1 3 364.603 2.555 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892495951 734565952 /nfs/dbraw/zinc/56/59/52/734565952.db2.gz VEXDEBGYZKZKIN-OAHLLOKOSA-N 1 3 352.548 2.600 20 0 FFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000892580331 734575798 /nfs/dbraw/zinc/57/57/98/734575798.db2.gz JXCPBAKBXMCUFA-UWVAXJGDSA-N 1 3 364.555 2.974 20 0 FFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000892580547 734576229 /nfs/dbraw/zinc/57/62/29/734576229.db2.gz MDAVWCBTIOEKDU-FUHIMQAGSA-N 1 3 364.555 2.831 20 0 FFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000892951207 734627389 /nfs/dbraw/zinc/62/73/89/734627389.db2.gz KZUFIEGJLRJLQL-GFCCVEGCSA-N 1 3 351.438 2.574 20 0 FFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cnc(CC(F)(F)F)s1 ZINC000892951207 734627392 /nfs/dbraw/zinc/62/73/92/734627392.db2.gz KZUFIEGJLRJLQL-GFCCVEGCSA-N 1 3 351.438 2.574 20 0 FFADHO CN1CCC(NC(=S)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000731492128 734681022 /nfs/dbraw/zinc/68/10/22/734681022.db2.gz JUEDQQIJTQAFID-GOSISDBHSA-N 1 3 352.592 2.589 20 0 FFADHO CN1CCC(NC(=S)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000731492128 734681024 /nfs/dbraw/zinc/68/10/24/734681024.db2.gz JUEDQQIJTQAFID-GOSISDBHSA-N 1 3 352.592 2.589 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CCCN(C)C3)CC2)CC1 ZINC000893814978 734756018 /nfs/dbraw/zinc/75/60/18/734756018.db2.gz ZGSKTSLONNPJSQ-ACBHZAAOSA-N 1 3 350.551 2.765 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(F)F)C3CCC3)CC2)CC1 ZINC000899784585 735554522 /nfs/dbraw/zinc/55/45/22/735554522.db2.gz ABGVDBPKATXYKB-UHFFFAOYSA-N 1 3 357.489 2.829 20 0 FFADHO CCNC(=O)N1CC[C@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902351678 735936075 /nfs/dbraw/zinc/93/60/75/735936075.db2.gz FQPBCMOSZHMLSQ-YOEHRIQHSA-N 1 3 354.445 2.528 20 0 FFADHO Cc1ccc([C@@H](N[C@H]2C[C@H](C[NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000902485750 735951500 /nfs/dbraw/zinc/95/15/00/735951500.db2.gz NOUNCEOJCPANSG-XFQXTVEOSA-N 1 3 358.507 2.815 20 0 FFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902802163 735993557 /nfs/dbraw/zinc/99/35/57/735993557.db2.gz IXOLJOVVYNVHLT-ZFWWWQNUSA-N 1 3 356.436 2.920 20 0 FFADHO C[C@H](c1nc(-c2cccs2)no1)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442203 736095290 /nfs/dbraw/zinc/09/52/90/736095290.db2.gz KFKKMMDHFCEWTE-KFWWJZLASA-N 1 3 361.515 2.604 20 0 FFADHO Clc1cncc(OC2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000903910582 736187215 /nfs/dbraw/zinc/18/72/15/736187215.db2.gz OFEFHUFLRZMFJH-UHFFFAOYSA-N 1 3 358.873 2.819 20 0 FFADHO Cc1c(C[C@H](CN)C[NH2+]CCc2cc(Cl)cc(Cl)c2)cnn1C ZINC000903923394 736189223 /nfs/dbraw/zinc/18/92/23/736189223.db2.gz SRCUAPZVMYWJTB-CQSZACIVSA-N 1 3 355.313 2.985 20 0 FFADHO C[N@@H+]1C[C@@H]2CN(C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933732096 739680647 /nfs/dbraw/zinc/68/06/47/739680647.db2.gz GIVDQPFFZKBBGM-HLIPFELVSA-N 1 3 351.535 2.907 20 0 FFADHO C[N@H+]1C[C@@H]2CN(C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933732096 739680651 /nfs/dbraw/zinc/68/06/51/739680651.db2.gz GIVDQPFFZKBBGM-HLIPFELVSA-N 1 3 351.535 2.907 20 0 FFADHO Brc1c[nH]c(CNCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000922244327 738111860 /nfs/dbraw/zinc/11/18/60/738111860.db2.gz UJPFMQHGAGBEOX-UHFFFAOYSA-N 1 3 364.291 2.569 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922386898 738134864 /nfs/dbraw/zinc/13/48/64/738134864.db2.gz JXZIGKVUOLGGRV-FPAYPSAMSA-N 1 3 352.906 2.918 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922386898 738134868 /nfs/dbraw/zinc/13/48/68/738134868.db2.gz JXZIGKVUOLGGRV-FPAYPSAMSA-N 1 3 352.906 2.918 20 0 FFADHO CCCCOC[C@@H](O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923340431 738273705 /nfs/dbraw/zinc/27/37/05/738273705.db2.gz DNTLQCWCNRSWRA-ROUUACIJSA-N 1 3 352.544 2.870 20 0 FFADHO CC(C)N(C)CCC[NH2+][C@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796676549 740170220 /nfs/dbraw/zinc/17/02/20/740170220.db2.gz FRTAABJGPQYCML-ULQDDVLXSA-N 1 3 357.539 2.625 20 0 FFADHO C[N@@H+]1CC[C@H](NC[C@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000796988081 740202122 /nfs/dbraw/zinc/20/21/22/740202122.db2.gz GTPOWMKMMFJUJF-QAETUUGQSA-N 1 3 353.304 2.945 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000796988081 740202120 /nfs/dbraw/zinc/20/21/20/740202120.db2.gz GTPOWMKMMFJUJF-QAETUUGQSA-N 1 3 353.304 2.945 20 0 FFADHO C[N@H+]1CC[C@H](NC[C@H](O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000796988081 740202125 /nfs/dbraw/zinc/20/21/25/740202125.db2.gz GTPOWMKMMFJUJF-QAETUUGQSA-N 1 3 353.304 2.945 20 0 FFADHO CN(C)C[C@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000802721536 740720523 /nfs/dbraw/zinc/72/05/23/740720523.db2.gz VUHGHMPUQZNVPA-INIZCTEOSA-N 1 3 354.951 2.501 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000968738524 740723350 /nfs/dbraw/zinc/72/33/50/740723350.db2.gz YSQRNEDPQFQGDA-VHDGCEQUSA-N 1 3 355.935 2.822 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000968738524 740723353 /nfs/dbraw/zinc/72/33/53/740723353.db2.gz YSQRNEDPQFQGDA-VHDGCEQUSA-N 1 3 355.935 2.822 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@]3(C)CN(Cc4ccsc4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000982282669 741202347 /nfs/dbraw/zinc/20/23/47/741202347.db2.gz DSIBUYPGZPRPDV-QOJCHSLYSA-N 1 3 361.555 2.759 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2C[C@@]3(C)CN(Cc4ccsc4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000982282669 741202352 /nfs/dbraw/zinc/20/23/52/741202352.db2.gz DSIBUYPGZPRPDV-QOJCHSLYSA-N 1 3 361.555 2.759 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998020989 742030046 /nfs/dbraw/zinc/03/00/46/742030046.db2.gz ZPXXQUOHEFWUEG-BZUAXINKSA-N 1 3 363.468 2.982 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998020989 742030051 /nfs/dbraw/zinc/03/00/51/742030051.db2.gz ZPXXQUOHEFWUEG-BZUAXINKSA-N 1 3 363.468 2.982 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3sccc3Cl)C2)CC[N@@H+]1C ZINC001022109921 742644656 /nfs/dbraw/zinc/64/46/56/742644656.db2.gz XILWNURRNSYRTR-SFDCQRBFSA-N 1 3 355.935 2.869 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3sccc3Cl)C2)CC[N@H+]1C ZINC001022109921 742644657 /nfs/dbraw/zinc/64/46/57/742644657.db2.gz XILWNURRNSYRTR-SFDCQRBFSA-N 1 3 355.935 2.869 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3scnc3C)C2)CC[N@@H+]1C ZINC001023371511 742706086 /nfs/dbraw/zinc/70/60/86/742706086.db2.gz ADKSQNFKKLUHKK-IXDOHACOSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3scnc3C)C2)CC[N@H+]1C ZINC001023371511 742706090 /nfs/dbraw/zinc/70/60/90/742706090.db2.gz ADKSQNFKKLUHKK-IXDOHACOSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001033098681 742877016 /nfs/dbraw/zinc/87/70/16/742877016.db2.gz JPEODWJGYUIVLT-GBESFXJTSA-N 1 3 363.571 2.944 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001033098681 742877027 /nfs/dbraw/zinc/87/70/27/742877027.db2.gz JPEODWJGYUIVLT-GBESFXJTSA-N 1 3 363.571 2.944 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000831412083 745526065 /nfs/dbraw/zinc/52/60/65/745526065.db2.gz POWNTKJWNFSEOB-MRXNPFEDSA-N 1 3 357.420 2.723 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2CCC(C[NH+](C)C)CC2)cc(Cl)n1 ZINC000831431564 745528445 /nfs/dbraw/zinc/52/84/45/745528445.db2.gz OJCGRTPITOJDMB-AVVWSFFYSA-N 1 3 352.910 2.670 20 0 FFADHO C[C@@H](NCCCCCC[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000843341547 747814491 /nfs/dbraw/zinc/81/44/91/747814491.db2.gz JIUPNWBCSNJHKP-SNVBAGLBSA-N 1 3 368.330 2.811 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000849051232 749042595 /nfs/dbraw/zinc/04/25/95/749042595.db2.gz CFSBZEGFRGOKCU-OAHLLOKOSA-N 1 3 354.445 2.720 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(Cl)n1 ZINC000852838335 749963436 /nfs/dbraw/zinc/96/34/36/749963436.db2.gz GRTASFUCQQGLLI-WBVHZDCISA-N 1 3 364.921 2.672 20 0 FFADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)CCC1 ZINC001481238869 970988636 /nfs/dbraw/zinc/98/86/36/970988636.db2.gz HDTZBBVOECGRGT-IRXDYDNUSA-N 1 3 365.468 2.568 20 0 FFADHO Cc1noc(C)c1CNCC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924442 971165523 /nfs/dbraw/zinc/16/55/23/971165523.db2.gz MRUXSGYLBXIICH-CRAIPNDOSA-N 1 3 364.534 2.598 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2F)C1 ZINC001104938575 971189435 /nfs/dbraw/zinc/18/94/35/971189435.db2.gz VVIJBDPKSRQIGQ-IEBWSBKVSA-N 1 3 363.521 2.784 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)cc1F ZINC001087970969 971422598 /nfs/dbraw/zinc/42/25/98/971422598.db2.gz YLYMAPYFKWODOJ-RSPOEFSDSA-N 1 3 373.516 2.755 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)cc1F ZINC001087970969 971422602 /nfs/dbraw/zinc/42/26/02/971422602.db2.gz YLYMAPYFKWODOJ-RSPOEFSDSA-N 1 3 373.516 2.755 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001105067016 971448115 /nfs/dbraw/zinc/44/81/15/971448115.db2.gz JBPACLPFZDMCJH-RLLQIKCJSA-N 1 3 358.530 2.530 20 0 FFADHO CO[C@]12CCC[C@@]1(NCc1ccc(OCC[NH+]3CCCC3)cc1)CCO2 ZINC000896415973 971479851 /nfs/dbraw/zinc/47/98/51/971479851.db2.gz SUAHFGISWJMIFO-RTWAWAEBSA-N 1 3 360.498 2.937 20 0 FFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCc1nnn(C(C)(C)C)n1 ZINC000660270550 971570450 /nfs/dbraw/zinc/57/04/50/971570450.db2.gz UMVKLWMMDAAJDT-IAGOWNOFSA-N 1 3 370.545 2.717 20 0 FFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)ncn1 ZINC000925619776 971579547 /nfs/dbraw/zinc/57/95/47/971579547.db2.gz AXJKBYZXGAOYRN-SLFFLAALSA-N 1 3 357.546 2.766 20 0 FFADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCNC[C@H]3C3CCCC3)C2)ncn1 ZINC000925619776 971579555 /nfs/dbraw/zinc/57/95/55/971579555.db2.gz AXJKBYZXGAOYRN-SLFFLAALSA-N 1 3 357.546 2.766 20 0 FFADHO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087993304 971737724 /nfs/dbraw/zinc/73/77/24/971737724.db2.gz JVGBEBDGZMTHMU-FSSWDIPSSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087993304 971737729 /nfs/dbraw/zinc/73/77/29/971737729.db2.gz JVGBEBDGZMTHMU-FSSWDIPSSA-N 1 3 369.553 2.870 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)C1CCC1 ZINC001087994618 971743330 /nfs/dbraw/zinc/74/33/30/971743330.db2.gz STNNFZAAMIRDEP-ULJFZEHQSA-N 1 3 367.537 2.964 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1)C1CCC1 ZINC001087994618 971743337 /nfs/dbraw/zinc/74/33/37/971743337.db2.gz STNNFZAAMIRDEP-ULJFZEHQSA-N 1 3 367.537 2.964 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3C)CC[C@@H]2C1)N(C)C ZINC001088010992 971844776 /nfs/dbraw/zinc/84/47/76/971844776.db2.gz UCNDHIVBESMYJG-IMFGXOCKSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3C)CC[C@@H]2C1)N(C)C ZINC001088010992 971844778 /nfs/dbraw/zinc/84/47/78/971844778.db2.gz UCNDHIVBESMYJG-IMFGXOCKSA-N 1 3 361.505 2.755 20 0 FFADHO COc1ccc([C@H](NC2CCN(CC[NH+](C)C)CC2)c2ccccn2)cc1 ZINC000652139030 972372242 /nfs/dbraw/zinc/37/22/42/972372242.db2.gz ZDKHJYVIGCOVQD-QFIPXVFZSA-N 1 3 368.525 2.795 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000654869697 959041758 /nfs/dbraw/zinc/04/17/58/959041758.db2.gz OBLMUDIFOLRGQS-SBHAEUEKSA-N 1 3 373.541 2.514 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000654869697 959041779 /nfs/dbraw/zinc/04/17/79/959041779.db2.gz OBLMUDIFOLRGQS-SBHAEUEKSA-N 1 3 373.541 2.514 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3cc(C)ccc3C)C2)CC[N@@H+]1C ZINC000969690107 959761066 /nfs/dbraw/zinc/76/10/66/959761066.db2.gz OHHZPHOTRZISHB-JRGCBEDISA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3cc(C)ccc3C)C2)CC[N@H+]1C ZINC000969690107 959761079 /nfs/dbraw/zinc/76/10/79/959761079.db2.gz OHHZPHOTRZISHB-JRGCBEDISA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc4c(c3)CCC4)C2)CC[N@@H+]1C ZINC000969689305 959767960 /nfs/dbraw/zinc/76/79/60/959767960.db2.gz IHRUTXBBDBLMPV-WQTXXOFMSA-N 1 3 369.553 2.842 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc4c(c3)CCC4)C2)CC[N@H+]1C ZINC000969689305 959767971 /nfs/dbraw/zinc/76/79/71/959767971.db2.gz IHRUTXBBDBLMPV-WQTXXOFMSA-N 1 3 369.553 2.842 20 0 FFADHO C[NH+](C)CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](NC/C=C\Cl)C2)CC1 ZINC001211661657 972477317 /nfs/dbraw/zinc/47/73/17/972477317.db2.gz DZPXHPANFSWQLM-HZUVFCDBSA-N 1 3 361.917 2.665 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000653167630 960445481 /nfs/dbraw/zinc/44/54/81/960445481.db2.gz VJZRPQPNAKUZLP-SEJPIABJSA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000653167630 960445493 /nfs/dbraw/zinc/44/54/93/960445493.db2.gz VJZRPQPNAKUZLP-SEJPIABJSA-N 1 3 370.541 2.838 20 0 FFADHO O=C1CCCN1Cc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655696852 961098971 /nfs/dbraw/zinc/09/89/71/961098971.db2.gz LGHLUVSXCMNXPG-NRFANRHFSA-N 1 3 371.525 2.542 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655724644 961172445 /nfs/dbraw/zinc/17/24/45/961172445.db2.gz WGEOTNOOPPEVKO-JFSTXAPLSA-N 1 3 371.569 2.986 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000683769107 962155404 /nfs/dbraw/zinc/15/54/04/962155404.db2.gz GKOVULQRVWFLNV-UHFFFAOYSA-N 1 3 362.477 2.816 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000656127305 962345715 /nfs/dbraw/zinc/34/57/15/962345715.db2.gz XCTDDYZQBNLFOY-TYPHKJRUSA-N 1 3 351.494 2.974 20 0 FFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000649315723 1013345388 /nfs/dbraw/zinc/34/53/88/1013345388.db2.gz DWJGMSCJHVOGNM-UYAOXDASSA-N 1 3 359.514 2.737 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2ccc3cc[nH]c3c2)C2CC2)CC[N@@H+]1C ZINC001266591949 962516725 /nfs/dbraw/zinc/51/67/25/962516725.db2.gz CZQQBUWHTCIWEB-DNVCBOLYSA-N 1 3 354.498 2.589 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2ccc3cc[nH]c3c2)C2CC2)CC[N@H+]1C ZINC001266591949 962516739 /nfs/dbraw/zinc/51/67/39/962516739.db2.gz CZQQBUWHTCIWEB-DNVCBOLYSA-N 1 3 354.498 2.589 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000649370216 1013379844 /nfs/dbraw/zinc/37/98/44/1013379844.db2.gz HTVWZRKGAQYSCJ-PKOBYXMFSA-N 1 3 359.489 2.829 20 0 FFADHO O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000649373395 1013384824 /nfs/dbraw/zinc/38/48/24/1013384824.db2.gz YACLQSSXBMHYFD-IEBWSBKVSA-N 1 3 359.489 2.829 20 0 FFADHO CN1CCC[C@@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000644900683 963039507 /nfs/dbraw/zinc/03/95/07/963039507.db2.gz XJYTYZWZWGRQFW-HXUWFJFHSA-N 1 3 370.541 2.778 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCC[C@@H]2CCOC2=O)CC1 ZINC000873161247 1013406825 /nfs/dbraw/zinc/40/68/25/1013406825.db2.gz MONXNGPRYILDRC-GOSISDBHSA-N 1 3 359.514 2.652 20 0 FFADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC000873247183 1013447308 /nfs/dbraw/zinc/44/73/08/1013447308.db2.gz JGIGHDFTJOATFE-CQSZACIVSA-N 1 3 364.453 2.535 20 0 FFADHO COc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1OC ZINC000873247961 1013447633 /nfs/dbraw/zinc/44/76/33/1013447633.db2.gz WWXBHJVEZCKJET-AWEZNQCLSA-N 1 3 367.453 2.594 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090169374 963964257 /nfs/dbraw/zinc/96/42/57/963964257.db2.gz IMOUPTSAAHVJAX-FPOVZHCZSA-N 1 3 358.574 2.655 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000664319405 964113299 /nfs/dbraw/zinc/11/32/99/964113299.db2.gz WGWKEQNISNPYAK-IBGZPJMESA-N 1 3 373.545 2.695 20 0 FFADHO CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC000664319405 964113305 /nfs/dbraw/zinc/11/33/05/964113305.db2.gz WGWKEQNISNPYAK-IBGZPJMESA-N 1 3 373.545 2.695 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000664339270 964158213 /nfs/dbraw/zinc/15/82/13/964158213.db2.gz FPPQOLMQPHBRQJ-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000664339270 964158221 /nfs/dbraw/zinc/15/82/21/964158221.db2.gz FPPQOLMQPHBRQJ-DFQSSKMNSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664502467 964542789 /nfs/dbraw/zinc/54/27/89/964542789.db2.gz HLOCCULNAFZNDA-FXAWDEMLSA-N 1 3 373.545 2.733 20 0 FFADHO CCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664502467 964542797 /nfs/dbraw/zinc/54/27/97/964542797.db2.gz HLOCCULNAFZNDA-FXAWDEMLSA-N 1 3 373.545 2.733 20 0 FFADHO C[C@@H](F)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506843 964686079 /nfs/dbraw/zinc/68/60/79/964686079.db2.gz IIXZVRLVWIJRJW-UWVAXJGDSA-N 1 3 353.526 2.827 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)[C@@H]2C1 ZINC001167961680 964755132 /nfs/dbraw/zinc/75/51/32/964755132.db2.gz MUQPSNHDVAVFOM-AECGGZAHSA-N 1 3 361.530 2.847 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)[C@@H]2C1 ZINC001167961680 964755140 /nfs/dbraw/zinc/75/51/40/964755140.db2.gz MUQPSNHDVAVFOM-AECGGZAHSA-N 1 3 361.530 2.847 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](CNCc2cccnc2)C1 ZINC001087177270 965199901 /nfs/dbraw/zinc/19/99/01/965199901.db2.gz PZEMNZDESMSSBF-RLLQIKCJSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](CNCc2cccnc2)C1 ZINC001087177270 965199907 /nfs/dbraw/zinc/19/99/07/965199907.db2.gz PZEMNZDESMSSBF-RLLQIKCJSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638739437 965724173 /nfs/dbraw/zinc/72/41/73/965724173.db2.gz SATHFOXFKPGLMI-OALUTQOASA-N 1 3 373.585 2.968 20 0 FFADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1c(F)cccc1F ZINC000983704674 965799195 /nfs/dbraw/zinc/79/91/95/965799195.db2.gz LYEBTHSBBMLKET-OXGONZEZSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1c(F)cccc1F ZINC000983704674 965799204 /nfs/dbraw/zinc/79/92/04/965799204.db2.gz LYEBTHSBBMLKET-OXGONZEZSA-N 1 3 365.468 2.850 20 0 FFADHO C[C@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1nc2ccccc2o1 ZINC000983709043 965808337 /nfs/dbraw/zinc/80/83/37/965808337.db2.gz SICGVHBBUDOBCG-BQJWPVKWSA-N 1 3 370.497 2.713 20 0 FFADHO C[C@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1nc2ccccc2o1 ZINC000983709043 965808349 /nfs/dbraw/zinc/80/83/49/965808349.db2.gz SICGVHBBUDOBCG-BQJWPVKWSA-N 1 3 370.497 2.713 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N(C)C)cc1 ZINC000664902171 965965916 /nfs/dbraw/zinc/96/59/16/965965916.db2.gz NGSJYLWKBNTHAB-APWZRJJASA-N 1 3 364.534 2.716 20 0 FFADHO c1c(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)nn2c1CCC2 ZINC000657426448 966494165 /nfs/dbraw/zinc/49/41/65/966494165.db2.gz FBRZTSDMEMNXOM-UHFFFAOYSA-N 1 3 354.498 2.636 20 0 FFADHO Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CC[C@@H](C)C2)s1 ZINC001087212998 966586410 /nfs/dbraw/zinc/58/64/10/966586410.db2.gz ZPPAMHZWVXYYND-INMHGKMJSA-N 1 3 364.559 2.510 20 0 FFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001087213070 966590868 /nfs/dbraw/zinc/59/08/68/966590868.db2.gz CVYWIFPYHNUNDV-MJGOQNOKSA-N 1 3 358.530 2.530 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnn(Cc4ccc(F)cc4)c3)C2)C1 ZINC000650707766 967556867 /nfs/dbraw/zinc/55/68/67/967556867.db2.gz MOXWFXXYQOOHIC-TYPHKJRUSA-N 1 3 372.488 2.789 20 0 FFADHO COc1cc2c(c(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)c1)O[C@H](C)C2 ZINC000650724104 967605668 /nfs/dbraw/zinc/60/56/68/967605668.db2.gz YHUBBRCVMURAMF-JRJVTICQSA-N 1 3 360.498 2.879 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C[C@H]1C[NH3+] ZINC000669483542 967751153 /nfs/dbraw/zinc/75/11/53/967751153.db2.gz ARBVLCOBOSZBHT-MISYRCLQSA-N 1 3 358.530 2.840 20 0 FFADHO CC(C)N1CCC([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000658249320 968599256 /nfs/dbraw/zinc/59/92/56/968599256.db2.gz DKKXNGRNSKHMPT-UHFFFAOYSA-N 1 3 356.558 2.804 20 0 FFADHO CC(C)[NH+]1CCC(NC2(CN3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000658249320 968599264 /nfs/dbraw/zinc/59/92/64/968599264.db2.gz DKKXNGRNSKHMPT-UHFFFAOYSA-N 1 3 356.558 2.804 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892599082 969554475 /nfs/dbraw/zinc/55/44/75/969554475.db2.gz PEYHQZBONWMTCB-AYWYSENESA-N 1 3 370.541 2.823 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000659021548 969632720 /nfs/dbraw/zinc/63/27/20/969632720.db2.gz GOWXRYNRNWKQFD-UHFFFAOYSA-N 1 3 365.481 2.719 20 0 FFADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000659032164 969648923 /nfs/dbraw/zinc/64/89/23/969648923.db2.gz PZUFVHJETZAXAO-FQEVSTJZSA-N 1 3 372.513 2.830 20 0 FFADHO CC(C)[NH+](CCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C(C)C ZINC000659037896 969649905 /nfs/dbraw/zinc/64/99/05/969649905.db2.gz ZFHLWRRDCUIGQW-IBGZPJMESA-N 1 3 362.518 2.978 20 0 FFADHO CC(C)C[C@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH2+][C@H](C)c1ccccc1 ZINC000659470126 969959253 /nfs/dbraw/zinc/95/92/53/969959253.db2.gz WHXTUAZOZODTNQ-NXWXRZEISA-N 1 3 364.509 2.833 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001104676555 970084263 /nfs/dbraw/zinc/08/42/63/970084263.db2.gz POHYYXHOPYTPME-ZHALLVOQSA-N 1 3 361.505 2.884 20 0 FFADHO CC[NH+](CC)CC1CCN([C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000659843624 970383238 /nfs/dbraw/zinc/38/32/38/970383238.db2.gz XCWRUNKXZAUELC-NRFANRHFSA-N 1 3 373.541 2.850 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCc1ccccc1Cl ZINC001087828889 970454558 /nfs/dbraw/zinc/45/45/58/970454558.db2.gz YKKGXQMCUBUIHV-NZSAHSFTSA-N 1 3 363.933 2.803 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCc1ccccc1Cl ZINC001087828889 970454565 /nfs/dbraw/zinc/45/45/65/970454565.db2.gz YKKGXQMCUBUIHV-NZSAHSFTSA-N 1 3 363.933 2.803 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001116033339 1032079228 /nfs/dbraw/zinc/07/92/28/1032079228.db2.gz SCWZLFOELNPSTR-SLFFLAALSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCc4ccccc4)CC[C@@H]3C2)C1 ZINC001088106679 972826560 /nfs/dbraw/zinc/82/65/60/972826560.db2.gz MAZFXYDOEZPXAH-NNWRFLSQSA-N 1 3 369.553 2.741 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCc4ccccc4)CC[C@@H]3C2)C1 ZINC001088106679 972826571 /nfs/dbraw/zinc/82/65/71/972826571.db2.gz MAZFXYDOEZPXAH-NNWRFLSQSA-N 1 3 369.553 2.741 20 0 FFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106897 972830137 /nfs/dbraw/zinc/83/01/37/972830137.db2.gz VYLAUZAJSOCONM-LQWHRVPQSA-N 1 3 365.537 2.945 20 0 FFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106897 972830152 /nfs/dbraw/zinc/83/01/52/972830152.db2.gz VYLAUZAJSOCONM-LQWHRVPQSA-N 1 3 365.537 2.945 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)CC[C@@H]2C1)N(C)C ZINC001088109514 972838211 /nfs/dbraw/zinc/83/82/11/972838211.db2.gz JQBIRXFWHCSQGC-HKBOAZHASA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)CC[C@@H]2C1)N(C)C ZINC001088109514 972838222 /nfs/dbraw/zinc/83/82/22/972838222.db2.gz JQBIRXFWHCSQGC-HKBOAZHASA-N 1 3 357.542 2.924 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)CC[C@@H]2C1 ZINC001088121373 972919492 /nfs/dbraw/zinc/91/94/92/972919492.db2.gz CFEKHNQXUNEQAG-OWCLPIDISA-N 1 3 366.456 2.558 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)CC[C@@H]2C1 ZINC001088121373 972919503 /nfs/dbraw/zinc/91/95/03/972919503.db2.gz CFEKHNQXUNEQAG-OWCLPIDISA-N 1 3 366.456 2.558 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001088129673 972976433 /nfs/dbraw/zinc/97/64/33/972976433.db2.gz ZXJRRIXUGTTYPL-HKBOAZHASA-N 1 3 370.541 2.625 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001088129673 972976443 /nfs/dbraw/zinc/97/64/43/972976443.db2.gz ZXJRRIXUGTTYPL-HKBOAZHASA-N 1 3 370.541 2.625 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660937860 973201112 /nfs/dbraw/zinc/20/11/12/973201112.db2.gz IQEBZFDKKMHGCZ-VQIMIIECSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660937860 973201119 /nfs/dbraw/zinc/20/11/19/973201119.db2.gz IQEBZFDKKMHGCZ-VQIMIIECSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660937858 973201166 /nfs/dbraw/zinc/20/11/66/973201166.db2.gz IQEBZFDKKMHGCZ-QFBILLFUSA-N 1 3 373.545 2.779 20 0 FFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660937858 973201178 /nfs/dbraw/zinc/20/11/78/973201178.db2.gz IQEBZFDKKMHGCZ-QFBILLFUSA-N 1 3 373.545 2.779 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(Cl)c4)C[C@H]3C2)C1 ZINC001088199924 973624287 /nfs/dbraw/zinc/62/42/87/973624287.db2.gz IWLLAJWUQFZWRD-KURKYZTESA-N 1 3 361.917 2.572 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(Cl)c4)C[C@H]3C2)C1 ZINC001088199924 973624293 /nfs/dbraw/zinc/62/42/93/973624293.db2.gz IWLLAJWUQFZWRD-KURKYZTESA-N 1 3 361.917 2.572 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(OC(C)C)ccn3)CC2)CC1 ZINC000649631610 1014134474 /nfs/dbraw/zinc/13/44/74/1014134474.db2.gz GKACEAJQFFSVRT-UHFFFAOYSA-N 1 3 360.546 2.861 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cc(OC(C)C)ccn3)CC2)CC1 ZINC000649631610 1014134477 /nfs/dbraw/zinc/13/44/77/1014134477.db2.gz GKACEAJQFFSVRT-UHFFFAOYSA-N 1 3 360.546 2.861 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cc(OC(C)C)ccn3)CC2)CC1 ZINC000649631610 1014134484 /nfs/dbraw/zinc/13/44/84/1014134484.db2.gz GKACEAJQFFSVRT-UHFFFAOYSA-N 1 3 360.546 2.861 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2CCC3(CCc4ccccc4C3)CC2)CC1 ZINC000649648041 1014138935 /nfs/dbraw/zinc/13/89/35/1014138935.db2.gz GYKOJCDXACYBIA-UHFFFAOYSA-N 1 3 369.553 2.858 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000665757458 974091229 /nfs/dbraw/zinc/09/12/29/974091229.db2.gz KVDLQYYJUXUNEZ-FUHWJXTLSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000665757458 974091236 /nfs/dbraw/zinc/09/12/36/974091236.db2.gz KVDLQYYJUXUNEZ-FUHWJXTLSA-N 1 3 364.509 2.597 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000665761508 974094711 /nfs/dbraw/zinc/09/47/11/974094711.db2.gz GPTQTEIONXQVNT-SFHVURJKSA-N 1 3 360.546 2.632 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000665761508 974094716 /nfs/dbraw/zinc/09/47/16/974094716.db2.gz GPTQTEIONXQVNT-SFHVURJKSA-N 1 3 360.546 2.632 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000665763607 974097901 /nfs/dbraw/zinc/09/79/01/974097901.db2.gz GSMQFZRQYNFEKV-ROUUACIJSA-N 1 3 360.546 2.630 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000665763607 974097909 /nfs/dbraw/zinc/09/79/09/974097909.db2.gz GSMQFZRQYNFEKV-ROUUACIJSA-N 1 3 360.546 2.630 20 0 FFADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000662869028 974425321 /nfs/dbraw/zinc/42/53/21/974425321.db2.gz VBIRRXAJICDSET-JSJNYSNDSA-N 1 3 359.514 2.520 20 0 FFADHO C[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H]1CCC[NH3+] ZINC000662893911 974521750 /nfs/dbraw/zinc/52/17/50/974521750.db2.gz RSJZOZKBELXDJJ-TZIWHRDSSA-N 1 3 372.557 2.565 20 0 FFADHO C[C@H]1CCN(C(=O)NCCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000652315414 974824003 /nfs/dbraw/zinc/82/40/03/974824003.db2.gz UYUBALYJDCKOEH-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297173 975411738 /nfs/dbraw/zinc/41/17/38/975411738.db2.gz OETFMQBWOIXQGB-NQIIRXRSSA-N 1 3 357.542 2.754 20 0 FFADHO C[C@@H]1CCCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)[C@@H]1CCC[NH3+] ZINC000662313579 975431367 /nfs/dbraw/zinc/43/13/67/975431367.db2.gz IWQUMYOQDXZQTQ-VQIMIIECSA-N 1 3 372.513 2.591 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2c(s1)CCNC2 ZINC000662445137 975547212 /nfs/dbraw/zinc/54/72/12/975547212.db2.gz OZTGBUVAURHOGQ-KRWDZBQOSA-N 1 3 369.534 2.688 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2c(s1)CCNC2 ZINC000662445137 975547224 /nfs/dbraw/zinc/54/72/24/975547224.db2.gz OZTGBUVAURHOGQ-KRWDZBQOSA-N 1 3 369.534 2.688 20 0 FFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cccc3c2CNC3)cc1 ZINC000662442177 975548731 /nfs/dbraw/zinc/54/87/31/975548731.db2.gz WQQHIQAHDGMNIU-UHFFFAOYSA-N 1 3 367.493 2.940 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662528642 975694407 /nfs/dbraw/zinc/69/44/07/975694407.db2.gz CJLGWBRMOSGDNX-LJQANCHMSA-N 1 3 366.509 2.664 20 0 FFADHO C[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@@H]1CC[NH3+] ZINC000653240250 1014281052 /nfs/dbraw/zinc/28/10/52/1014281052.db2.gz LXSCHOCTNUZUHP-PZJWPPBQSA-N 1 3 372.557 2.565 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H](C)[C@H]3CC[NH3+])cc2)CC1 ZINC000653241102 1014281418 /nfs/dbraw/zinc/28/14/18/1014281418.db2.gz XWVGIERKZZASEB-GHTZIAJQSA-N 1 3 372.557 2.807 20 0 FFADHO COc1cc2c(cc1CN1CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC1)O[C@@H](C)C2 ZINC000667053169 975774154 /nfs/dbraw/zinc/77/41/54/975774154.db2.gz FWLKXMBDFMFKOW-DCPHZVHLSA-N 1 3 360.498 2.737 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)c2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000662663927 975800526 /nfs/dbraw/zinc/80/05/26/975800526.db2.gz PWMZFSHCFKRVLM-OAQYLSRUSA-N 1 3 351.494 2.927 20 0 FFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663465782 975976185 /nfs/dbraw/zinc/97/61/85/975976185.db2.gz LKYANGCLIPGEJQ-SJLPKXTDSA-N 1 3 369.509 2.773 20 0 FFADHO COc1cc(C)c(C)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667543791 976382877 /nfs/dbraw/zinc/38/28/77/976382877.db2.gz LLQSPQPPMVXUOP-UHFFFAOYSA-N 1 3 374.529 2.992 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000667793604 977038818 /nfs/dbraw/zinc/03/88/18/977038818.db2.gz GSXDAECHNRJSAU-HZPDHXFCSA-N 1 3 359.518 2.607 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1cnc2c(c1)CNCC2 ZINC000667797472 977057097 /nfs/dbraw/zinc/05/70/97/977057097.db2.gz OEVBELCQTMEBOI-LJQANCHMSA-N 1 3 365.481 2.513 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1cnc2c(c1)CNCC2 ZINC000667797472 977057108 /nfs/dbraw/zinc/05/71/08/977057108.db2.gz OEVBELCQTMEBOI-LJQANCHMSA-N 1 3 365.481 2.513 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000894029852 977644079 /nfs/dbraw/zinc/64/40/79/977644079.db2.gz NUIHHRUNWJTSER-QGZVFWFLSA-N 1 3 358.530 2.823 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087459639 977979497 /nfs/dbraw/zinc/97/94/97/977979497.db2.gz OYVJGLLFTDVBRI-PWIZWCRZSA-N 1 3 361.505 2.852 20 0 FFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087459639 977979505 /nfs/dbraw/zinc/97/95/05/977979505.db2.gz OYVJGLLFTDVBRI-PWIZWCRZSA-N 1 3 361.505 2.852 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000760013232 978303227 /nfs/dbraw/zinc/30/32/27/978303227.db2.gz WWXMUJNRUIUUPW-LJQANCHMSA-N 1 3 373.545 2.777 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cc2ccccc2o1 ZINC000664192917 978342853 /nfs/dbraw/zinc/34/28/53/978342853.db2.gz GOVGSBRNEPHAIV-INIZCTEOSA-N 1 3 360.502 2.547 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cc2ccccc2o1 ZINC000664192917 978342862 /nfs/dbraw/zinc/34/28/62/978342862.db2.gz GOVGSBRNEPHAIV-INIZCTEOSA-N 1 3 360.502 2.547 20 0 FFADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268969552 978434451 /nfs/dbraw/zinc/43/44/51/978434451.db2.gz AZGKNKVDBKUOAQ-BURNTYAHSA-N 1 3 355.526 2.807 20 0 FFADHO CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268969552 978434454 /nfs/dbraw/zinc/43/44/54/978434454.db2.gz AZGKNKVDBKUOAQ-BURNTYAHSA-N 1 3 355.526 2.807 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCc3ccccn3)C2)CC[N@@H+]1C ZINC001088317079 979132119 /nfs/dbraw/zinc/13/21/19/979132119.db2.gz QUCZCVXYSWXDAU-HSALFYBXSA-N 1 3 358.530 2.673 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCc3ccccn3)C2)CC[N@H+]1C ZINC001088317079 979132123 /nfs/dbraw/zinc/13/21/23/979132123.db2.gz QUCZCVXYSWXDAU-HSALFYBXSA-N 1 3 358.530 2.673 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)[C@@H](C)C4)[C@@H]3C2)cs1 ZINC001076177276 979186811 /nfs/dbraw/zinc/18/68/11/979186811.db2.gz SJYHJURLJUHKHZ-UDTPNQRGSA-N 1 3 361.555 2.820 20 0 FFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)[C@@H](C)C4)[C@@H]3C2)cs1 ZINC001076177276 979186813 /nfs/dbraw/zinc/18/68/13/979186813.db2.gz SJYHJURLJUHKHZ-UDTPNQRGSA-N 1 3 361.555 2.820 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC1 ZINC001076205114 979222182 /nfs/dbraw/zinc/22/21/82/979222182.db2.gz ORNQBYITJLQYKG-LZMPDKMXSA-N 1 3 353.510 2.574 20 0 FFADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242522 979273646 /nfs/dbraw/zinc/27/36/46/979273646.db2.gz IFWVZERIRRHTAG-JRGCBEDISA-N 1 3 355.526 2.624 20 0 FFADHO CCc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242522 979273648 /nfs/dbraw/zinc/27/36/48/979273648.db2.gz IFWVZERIRRHTAG-JRGCBEDISA-N 1 3 355.526 2.624 20 0 FFADHO c1cc(CN2CCC(c3nnc4n3CCCC4)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668004265 979282984 /nfs/dbraw/zinc/28/29/84/979282984.db2.gz NWQAQZNUODBQCG-UHFFFAOYSA-N 1 3 363.469 2.575 20 0 FFADHO CC1([NH3+])CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000648120751 979524805 /nfs/dbraw/zinc/52/48/05/979524805.db2.gz OUQOQEILXNTHAK-SFHVURJKSA-N 1 3 369.431 2.781 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]4CC[C@]43C[NH3+])cc2)CC1 ZINC000904282437 980233948 /nfs/dbraw/zinc/23/39/48/980233948.db2.gz SLXLSFBSPSHFRG-UWJYYQICSA-N 1 3 371.529 2.564 20 0 FFADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cnc(N3CCCC3)nc2)CC1 ZINC000904459427 980281032 /nfs/dbraw/zinc/28/10/32/980281032.db2.gz RWTGWJCIYYDSKH-UHFFFAOYSA-N 1 3 351.498 2.569 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1[C@H](C)C1CC1 ZINC000666664111 981193878 /nfs/dbraw/zinc/19/38/78/981193878.db2.gz XMSNNUPSCARJHE-GOEBONIOSA-N 1 3 364.538 2.556 20 0 FFADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1[C@H](C)C1CC1 ZINC000666664111 981193882 /nfs/dbraw/zinc/19/38/82/981193882.db2.gz XMSNNUPSCARJHE-GOEBONIOSA-N 1 3 364.538 2.556 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907871002 981320319 /nfs/dbraw/zinc/32/03/19/981320319.db2.gz FSEMFUQVULOHTO-ODZFXCKXSA-N 1 3 373.463 2.925 20 0 FFADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000907871002 981320323 /nfs/dbraw/zinc/32/03/23/981320323.db2.gz FSEMFUQVULOHTO-ODZFXCKXSA-N 1 3 373.463 2.925 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Cc1ccccc1 ZINC000668649619 981359473 /nfs/dbraw/zinc/35/94/73/981359473.db2.gz YDKKHCMKVHLWMB-ACRUOGEOSA-N 1 3 372.557 2.581 20 0 FFADHO COc1cc2c(c(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)c1)O[C@H](C)C2 ZINC000650724102 1014752151 /nfs/dbraw/zinc/75/21/51/1014752151.db2.gz YHUBBRCVMURAMF-FPWFTKFVSA-N 1 3 360.498 2.879 20 0 FFADHO COc1ccc2c(c1)C[C@@H](N1CC[C@]3(C1)C[N@H+](C)C[C@@H]3COCC1CC1)C2 ZINC001168273603 981720894 /nfs/dbraw/zinc/72/08/94/981720894.db2.gz SBIPBJDONCRKLO-FUPPJEDESA-N 1 3 370.537 2.843 20 0 FFADHO COc1ccc2c(c1)C[C@@H](N1CC[C@]3(C1)C[N@@H+](C)C[C@@H]3COCC1CC1)C2 ZINC001168273603 981720898 /nfs/dbraw/zinc/72/08/98/981720898.db2.gz SBIPBJDONCRKLO-FUPPJEDESA-N 1 3 370.537 2.843 20 0 FFADHO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000796443767 1014836856 /nfs/dbraw/zinc/83/68/56/1014836856.db2.gz LKJYUSZBMXSGEY-UGKGYDQZSA-N 1 3 370.493 2.820 20 0 FFADHO COC(=O)C1=C(C)O[C@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC000796443767 1014836866 /nfs/dbraw/zinc/83/68/66/1014836866.db2.gz LKJYUSZBMXSGEY-UGKGYDQZSA-N 1 3 370.493 2.820 20 0 FFADHO c1ccc(CN2CC[C@@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655765052 982725126 /nfs/dbraw/zinc/72/51/26/982725126.db2.gz XTQIVIMOYAKJAN-UNMCSNQZSA-N 1 3 357.542 2.742 20 0 FFADHO CN(C[C@@H](O)CC1(CO)CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878150528 1014882226 /nfs/dbraw/zinc/88/22/26/1014882226.db2.gz LAMOYTGJMMYSOY-RTWAWAEBSA-N 1 3 360.542 2.744 20 0 FFADHO CN(C[C@@H](O)CC1(CO)CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878150528 1014882241 /nfs/dbraw/zinc/88/22/41/1014882241.db2.gz LAMOYTGJMMYSOY-RTWAWAEBSA-N 1 3 360.542 2.744 20 0 FFADHO Cc1cccc(C)c1NC(=O)CN1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168324617 982910859 /nfs/dbraw/zinc/91/08/59/982910859.db2.gz RQWJBDPIBMYFFS-UHFFFAOYSA-N 1 3 372.557 2.732 20 0 FFADHO C[C@@H]1CN(Cc2cn3cc(Br)ccc3n2)CCC[C@@H]1C[NH3+] ZINC001206011501 1032106910 /nfs/dbraw/zinc/10/69/10/1032106910.db2.gz CWEMJEJUTROKTN-CHWSQXEVSA-N 1 3 351.292 2.904 20 0 FFADHO CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1Cc1ccccc1 ZINC000671311978 983897361 /nfs/dbraw/zinc/89/73/61/983897361.db2.gz LDXJBLJNXVVGEW-JOCHJYFZSA-N 1 3 367.537 2.986 20 0 FFADHO C[C@H]1CN(Cc2ccc(O)cc2I)CCC[C@H]1C[NH3+] ZINC001206011146 1032108011 /nfs/dbraw/zinc/10/80/11/1032108011.db2.gz AGJQHSLNNWJALB-RYUDHWBXSA-N 1 3 374.266 2.804 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nc4ccccc4o3)CC2)CC[N@@H+]1C ZINC000996611363 984434877 /nfs/dbraw/zinc/43/48/77/984434877.db2.gz JQIJBRCAFNPBOV-FUHWJXTLSA-N 1 3 370.497 2.639 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nc4ccccc4o3)CC2)CC[N@H+]1C ZINC000996611363 984434879 /nfs/dbraw/zinc/43/48/79/984434879.db2.gz JQIJBRCAFNPBOV-FUHWJXTLSA-N 1 3 370.497 2.639 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669405706 984535815 /nfs/dbraw/zinc/53/58/15/984535815.db2.gz PTWWDDQSPNMGLD-IERDGZPVSA-N 1 3 364.493 2.925 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438834 984539732 /nfs/dbraw/zinc/53/97/32/984539732.db2.gz JXBWDGQJNHLKMK-TZIWHRDSSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438834 984539735 /nfs/dbraw/zinc/53/97/35/984539735.db2.gz JXBWDGQJNHLKMK-TZIWHRDSSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1cncc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H](C4CC4)N(C)C)CCC[C@@H]23)c1 ZINC001107438633 984540343 /nfs/dbraw/zinc/54/03/43/984540343.db2.gz FMAYJPKWOMCSOD-RZUBCFFCSA-N 1 3 370.541 2.591 20 0 FFADHO Cc1cncc(C[N@H+]2CC[C@@]3(CNC(=O)[C@H](C4CC4)N(C)C)CCC[C@@H]23)c1 ZINC001107438633 984540349 /nfs/dbraw/zinc/54/03/49/984540349.db2.gz FMAYJPKWOMCSOD-RZUBCFFCSA-N 1 3 370.541 2.591 20 0 FFADHO C[C@H](NCC1(C[NH+](C)C)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000760897472 984566238 /nfs/dbraw/zinc/56/62/38/984566238.db2.gz MKOHBYZXYHHPIP-FPOVZHCZSA-N 1 3 359.558 2.988 20 0 FFADHO CCC(CC)N(CCOC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654537244 984618110 /nfs/dbraw/zinc/61/81/10/984618110.db2.gz WDFMIFCHRYFXHM-UHFFFAOYSA-N 1 3 367.578 2.846 20 0 FFADHO Cc1ccc(F)c(CN2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)c1 ZINC001107530719 984651869 /nfs/dbraw/zinc/65/18/69/984651869.db2.gz IDKCHSOJSCEADN-TZIWHRDSSA-N 1 3 361.505 2.947 20 0 FFADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483634 984651926 /nfs/dbraw/zinc/65/19/26/984651926.db2.gz FYLYRBQERCXYOT-YLJYHZDGSA-N 1 3 358.530 2.982 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOC(C)C)CC2)N(C)C ZINC001107555236 984687225 /nfs/dbraw/zinc/68/72/25/984687225.db2.gz ZAGKFSWCSJPYGZ-NLWGTHIKSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOC(C)C)CC2)N(C)C ZINC001107555236 984687228 /nfs/dbraw/zinc/68/72/28/984687228.db2.gz ZAGKFSWCSJPYGZ-NLWGTHIKSA-N 1 3 353.551 2.503 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116015 984773825 /nfs/dbraw/zinc/77/38/25/984773825.db2.gz DYFBJUMMWOUUCV-HZPDHXFCSA-N 1 3 363.468 2.886 20 0 FFADHO Cc1oncc1CN1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614214 984821375 /nfs/dbraw/zinc/82/13/75/984821375.db2.gz XYXGRHUVAOGAMY-UYAOXDASSA-N 1 3 362.518 2.576 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CCOCC1)CC2 ZINC001107646286 984937293 /nfs/dbraw/zinc/93/72/93/984937293.db2.gz GGTAVYTXZYCGAB-TZIWHRDSSA-N 1 3 365.562 2.504 20 0 FFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CCOCC1)CC2 ZINC001107646286 984937300 /nfs/dbraw/zinc/93/73/00/984937300.db2.gz GGTAVYTXZYCGAB-TZIWHRDSSA-N 1 3 365.562 2.504 20 0 FFADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1cccc(F)c1 ZINC000765290297 985016430 /nfs/dbraw/zinc/01/64/30/985016430.db2.gz PYOKXXAPUHWULE-OAQYLSRUSA-N 1 3 372.484 2.862 20 0 FFADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000765426597 985085381 /nfs/dbraw/zinc/08/53/81/985085381.db2.gz NOHUTTIPEDGGBV-XMSQKQJNSA-N 1 3 357.542 2.882 20 0 FFADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000472155192 985515377 /nfs/dbraw/zinc/51/53/77/985515377.db2.gz LJUBQLYUASWXMX-UHFFFAOYSA-N 1 3 357.498 2.891 20 0 FFADHO COc1ccc([C@H]2C[C@@H]([NH2+]CCN3CCN(C(C)C)CC3)CCO2)cc1 ZINC001168599195 985762602 /nfs/dbraw/zinc/76/26/02/985762602.db2.gz YMOJWJASEFBCFI-PZJWPPBQSA-N 1 3 361.530 2.531 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418202095 986170678 /nfs/dbraw/zinc/17/06/78/986170678.db2.gz INJSNHGOJWYJGL-AOIWGVFYSA-N 1 3 362.518 2.646 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382727998 986889813 /nfs/dbraw/zinc/88/98/13/986889813.db2.gz WMWRGOYGGLRHAJ-CRAIPNDOSA-N 1 3 369.431 2.651 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106211103 987671363 /nfs/dbraw/zinc/67/13/63/987671363.db2.gz QSBRRVJAUWBUCX-KMMTZUTOSA-N 1 3 362.345 2.864 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106211103 987671366 /nfs/dbraw/zinc/67/13/66/987671366.db2.gz QSBRRVJAUWBUCX-KMMTZUTOSA-N 1 3 362.345 2.864 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000673235962 987895086 /nfs/dbraw/zinc/89/50/86/987895086.db2.gz HITKXVFLCBIWNZ-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC001106340492 987983417 /nfs/dbraw/zinc/98/34/17/987983417.db2.gz ZZDJKUNQSVDJBB-UYAOXDASSA-N 1 3 359.558 2.952 20 0 FFADHO C[C@H](CC[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C ZINC000922254888 988263329 /nfs/dbraw/zinc/26/33/29/988263329.db2.gz OVWGZGJBDJMALA-SJORKVTESA-N 1 3 369.550 2.865 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000762271424 988267039 /nfs/dbraw/zinc/26/70/39/988267039.db2.gz KEOMYALFCQLOQP-UYAOXDASSA-N 1 3 358.530 2.777 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NCCC[NH+]3CCCCC3)cc2)CC1 ZINC000915323021 988432569 /nfs/dbraw/zinc/43/25/69/988432569.db2.gz FIVBMKNTARGFMW-UHFFFAOYSA-N 1 3 373.545 2.826 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106581615 988432652 /nfs/dbraw/zinc/43/26/52/988432652.db2.gz JFDWDULRFKFCBB-HUYFECDKSA-N 1 3 362.345 2.720 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CNC/C(Cl)=C/Cl ZINC001106581615 988432656 /nfs/dbraw/zinc/43/26/56/988432656.db2.gz JFDWDULRFKFCBB-HUYFECDKSA-N 1 3 362.345 2.720 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3OC)C2)[C@@H]1C(C)C ZINC000922391807 988549602 /nfs/dbraw/zinc/54/96/02/988549602.db2.gz HFQARGOPGQCEHW-SGLNWRHMSA-N 1 3 362.514 2.663 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(OC)c3OC)C2)[C@@H]1C(C)C ZINC000922391807 988549612 /nfs/dbraw/zinc/54/96/12/988549612.db2.gz HFQARGOPGQCEHW-SGLNWRHMSA-N 1 3 362.514 2.663 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCc1ccccc1Cl ZINC001106705127 988728036 /nfs/dbraw/zinc/72/80/36/988728036.db2.gz SMJSLQRZYXTRCX-GDBMZVCRSA-N 1 3 360.889 2.532 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3ccccc3F)C2)CC[N@@H+]1C ZINC001033098207 988806574 /nfs/dbraw/zinc/80/65/74/988806574.db2.gz CHKBVFHNQNLBCT-WSTZPKSXSA-N 1 3 361.505 2.631 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3ccccc3F)C2)CC[N@H+]1C ZINC001033098207 988806588 /nfs/dbraw/zinc/80/65/88/988806588.db2.gz CHKBVFHNQNLBCT-WSTZPKSXSA-N 1 3 361.505 2.631 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCc2ccccc2Cl)[C@H](C)C1 ZINC001106784938 989056451 /nfs/dbraw/zinc/05/64/51/989056451.db2.gz OSIUFQRIUPHHEB-SJLPKXTDSA-N 1 3 365.949 2.908 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC[N@@H+]1C ZINC000673774934 989246019 /nfs/dbraw/zinc/24/60/19/989246019.db2.gz FQJQBWFVZPGKOG-NLWGTHIKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC[N@H+]1C ZINC000673774934 989246025 /nfs/dbraw/zinc/24/60/25/989246025.db2.gz FQJQBWFVZPGKOG-NLWGTHIKSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCN(c2ccccc2)C1 ZINC000673856985 989329812 /nfs/dbraw/zinc/32/98/12/989329812.db2.gz AWLDIPZWZSIZPO-IBGZPJMESA-N 1 3 354.498 2.781 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)N2CCCC2)cc1 ZINC000652142338 1015477862 /nfs/dbraw/zinc/47/78/62/1015477862.db2.gz OERDPEGWESTQEC-ONTIZHBOSA-N 1 3 370.541 2.902 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000674701256 989870611 /nfs/dbraw/zinc/87/06/11/989870611.db2.gz KNJVLRCKZGQGPZ-QUCCMNQESA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000674701256 989870616 /nfs/dbraw/zinc/87/06/16/989870616.db2.gz KNJVLRCKZGQGPZ-QUCCMNQESA-N 1 3 370.541 2.838 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000675577234 990309626 /nfs/dbraw/zinc/30/96/26/990309626.db2.gz IWFFUMSOEYTIHY-WOJBJXKFSA-N 1 3 358.530 2.777 20 0 FFADHO COc1cc(F)c([C@H](C)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000675872823 990402551 /nfs/dbraw/zinc/40/25/51/990402551.db2.gz JTENFOXOWMBMOJ-LSDHHAIUSA-N 1 3 365.493 2.662 20 0 FFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000676692414 990644076 /nfs/dbraw/zinc/64/40/76/990644076.db2.gz BJCQIXVMDFKVJU-PKOBYXMFSA-N 1 3 373.545 2.781 20 0 FFADHO CCc1ccccc1CCN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684130 990975148 /nfs/dbraw/zinc/97/51/48/990975148.db2.gz IDQCVUPMSQMVDW-LEWJYISDSA-N 1 3 357.542 2.570 20 0 FFADHO CCc1ccccc1CCN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031684130 990975157 /nfs/dbraw/zinc/97/51/57/990975157.db2.gz IDQCVUPMSQMVDW-LEWJYISDSA-N 1 3 357.542 2.570 20 0 FFADHO Nc1nnc(C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)o1 ZINC000639724534 991277151 /nfs/dbraw/zinc/27/71/51/991277151.db2.gz OJQQBAKKWUWEKK-UHFFFAOYSA-N 1 3 355.486 3.017 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC001106909361 991472240 /nfs/dbraw/zinc/47/22/40/991472240.db2.gz GQTJIIADJWDURW-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2C)[C@H](C)C1 ZINC001106910815 991534611 /nfs/dbraw/zinc/53/46/11/991534611.db2.gz PPPRBLPJTUTXQF-VQIMIIECSA-N 1 3 361.530 2.530 20 0 FFADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2c2cccc(F)c2)C1 ZINC001079201657 991876186 /nfs/dbraw/zinc/87/61/86/991876186.db2.gz VFLAJSNRQHIJLW-ZRLQOBAPSA-N 1 3 370.472 2.722 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CCC2)C1)N(C)C ZINC001079300593 991956881 /nfs/dbraw/zinc/95/68/81/991956881.db2.gz PFSLEVIMNCIGDJ-DFQSSKMNSA-N 1 3 361.505 2.850 20 0 FFADHO CN(CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC2CC2)C1)C1CCC1 ZINC001079298780 991986768 /nfs/dbraw/zinc/98/67/68/991986768.db2.gz GQOGWLPEDLVHPB-AZUAARDMSA-N 1 3 359.489 2.604 20 0 FFADHO C[C@H](CCN1CCC[C@H](c2ncc[nH]2)C1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269332612 992055379 /nfs/dbraw/zinc/05/53/79/992055379.db2.gz SJLRMAMJZFSRGQ-FGTMMUONSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CCN1CCC[C@H](c2ncc[nH]2)C1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269332612 992055388 /nfs/dbraw/zinc/05/53/88/992055388.db2.gz SJLRMAMJZFSRGQ-FGTMMUONSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269332612 992055394 /nfs/dbraw/zinc/05/53/94/992055394.db2.gz SJLRMAMJZFSRGQ-FGTMMUONSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269332612 992055402 /nfs/dbraw/zinc/05/54/02/992055402.db2.gz SJLRMAMJZFSRGQ-FGTMMUONSA-N 1 3 356.518 2.970 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001079847699 992527725 /nfs/dbraw/zinc/52/77/25/992527725.db2.gz SPAJNUOCBCJHNP-NSISKUIASA-N 1 3 365.562 2.503 20 0 FFADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001079847699 992527730 /nfs/dbraw/zinc/52/77/30/992527730.db2.gz SPAJNUOCBCJHNP-NSISKUIASA-N 1 3 365.562 2.503 20 0 FFADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414929535 992774526 /nfs/dbraw/zinc/77/45/26/992774526.db2.gz RSUKYOCOFHWOBQ-DDUZABMNSA-N 1 3 358.486 2.612 20 0 FFADHO Cn1cc(CN[C@H]2CCC[C@H]([NH3+])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000414931164 992779567 /nfs/dbraw/zinc/77/95/67/992779567.db2.gz UFDBPVWHCOVFFZ-IRXDYDNUSA-N 1 3 356.470 2.608 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001080329610 992938136 /nfs/dbraw/zinc/93/81/36/992938136.db2.gz HQDVFUGQFJXWOO-NDUPCHFUSA-N 1 3 361.505 2.535 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001080329610 992938142 /nfs/dbraw/zinc/93/81/42/992938142.db2.gz HQDVFUGQFJXWOO-NDUPCHFUSA-N 1 3 361.505 2.535 20 0 FFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNC/C(Cl)=C\Cl ZINC001107032917 993244362 /nfs/dbraw/zinc/24/43/62/993244362.db2.gz ARBAGKWGUAOTPL-LCYSWIRJSA-N 1 3 362.345 2.866 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCC(C)C)[C@H](C)C1 ZINC001107036161 993284841 /nfs/dbraw/zinc/28/48/41/993284841.db2.gz GBRAJTKAQCTDLA-VAMGGRTRSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCCC2CCOCC2)[C@H](C)C1 ZINC001107040631 993293511 /nfs/dbraw/zinc/29/35/11/993293511.db2.gz JZKGGRNWYBRUDH-UYAOXDASSA-N 1 3 367.578 2.608 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC001107040804 993294344 /nfs/dbraw/zinc/29/43/44/993294344.db2.gz NSZHXKZEOXSRIR-IEBWSBKVSA-N 1 3 363.521 2.783 20 0 FFADHO C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787610 993373550 /nfs/dbraw/zinc/37/35/50/993373550.db2.gz JMSBCZQEZJPVTF-DYESRHJHSA-N 1 3 367.537 2.986 20 0 FFADHO CO[C@@H]1CN(CCCC2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202309 994266916 /nfs/dbraw/zinc/26/69/16/994266916.db2.gz QYQDHXUYPFPUHD-WOJBJXKFSA-N 1 3 365.562 2.504 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C)s1 ZINC001082511704 994758610 /nfs/dbraw/zinc/75/86/10/994758610.db2.gz MDXZOXVETDOHSC-RHSMWYFYSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C)s1 ZINC001082558583 994931506 /nfs/dbraw/zinc/93/15/06/994931506.db2.gz YCFGIQBCXDZPBS-UWWQBHOKSA-N 1 3 364.559 2.651 20 0 FFADHO Cc1ncc(CN[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)s1 ZINC001082558583 994931516 /nfs/dbraw/zinc/93/15/16/994931516.db2.gz YCFGIQBCXDZPBS-UWWQBHOKSA-N 1 3 364.559 2.651 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001082561647 994941652 /nfs/dbraw/zinc/94/16/52/994941652.db2.gz HUOCBFDHNKINQZ-JSNMRZPZSA-N 1 3 359.489 2.734 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC001082575759 994998512 /nfs/dbraw/zinc/99/85/12/994998512.db2.gz YRYLRSCLBBPPAD-YSGRDPCXSA-N 1 3 356.514 2.691 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001086694111 995125756 /nfs/dbraw/zinc/12/57/56/995125756.db2.gz CEQZELMVOBXQJE-USXIJHARSA-N 1 3 357.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC2CCC2)CC[N@@H+]1C ZINC001054042171 1015927788 /nfs/dbraw/zinc/92/77/88/1015927788.db2.gz QNJUOBCZAUBBTE-MAODMQOUSA-N 1 3 355.526 2.670 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2Cc3ccccc3CN2CC2CCC2)CC[N@H+]1C ZINC001054042171 1015927790 /nfs/dbraw/zinc/92/77/90/1015927790.db2.gz QNJUOBCZAUBBTE-MAODMQOUSA-N 1 3 355.526 2.670 20 0 FFADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000903492958 1015930806 /nfs/dbraw/zinc/93/08/06/1015930806.db2.gz MWDJYXOMEWYSOK-NTNQKNOYSA-N 1 3 355.438 2.615 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2Cl)C1)N(C)C ZINC001082748259 995304329 /nfs/dbraw/zinc/30/43/29/995304329.db2.gz CODYFPRBUWHKRV-OLMNPRSZSA-N 1 3 351.922 2.659 20 0 FFADHO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c2ccccc2n1 ZINC000903508341 1015944329 /nfs/dbraw/zinc/94/43/29/1015944329.db2.gz CWXSLBFWFXETSF-BGYRXZFFSA-N 1 3 350.510 2.944 20 0 FFADHO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c2ccccc2n1 ZINC000903508341 1015944330 /nfs/dbraw/zinc/94/43/30/1015944330.db2.gz CWXSLBFWFXETSF-BGYRXZFFSA-N 1 3 350.510 2.944 20 0 FFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001170680888 995465527 /nfs/dbraw/zinc/46/55/27/995465527.db2.gz GNOWXUHQUBXDDL-AWEZNQCLSA-N 1 3 358.449 2.894 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000727222570 995722715 /nfs/dbraw/zinc/72/27/15/995722715.db2.gz GDFMLDIMDFPIHI-FQEVSTJZSA-N 1 3 371.529 2.531 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001082943448 995881294 /nfs/dbraw/zinc/88/12/94/995881294.db2.gz IZECILPQDKEYCJ-NRSPTQNISA-N 1 3 357.542 2.848 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001082943718 995882787 /nfs/dbraw/zinc/88/27/87/995882787.db2.gz YNEFJDCMJFDHIA-NSISKUIASA-N 1 3 361.505 2.945 20 0 FFADHO CN1CC[C@H]2CCN(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)[C@H]2C1 ZINC000679337067 1016009411 /nfs/dbraw/zinc/00/94/11/1016009411.db2.gz JWXIHYMQDZQGNA-LPHOPBHVSA-N 1 3 360.502 2.575 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ncccc2C)CC[N@@H+]1C ZINC001049483294 1016009911 /nfs/dbraw/zinc/00/99/11/1016009911.db2.gz UVPAAYYTTJVLKW-NRDMVMEKSA-N 1 3 370.541 2.686 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ncccc2C)CC[N@H+]1C ZINC001049483294 1016009920 /nfs/dbraw/zinc/00/99/20/1016009920.db2.gz UVPAAYYTTJVLKW-NRDMVMEKSA-N 1 3 370.541 2.686 20 0 FFADHO CCc1ccc(CCN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)cc1 ZINC001084355074 996481925 /nfs/dbraw/zinc/48/19/25/996481925.db2.gz DJWNKUIZJZPIHO-BRKWEVRTSA-N 1 3 369.553 2.664 20 0 FFADHO CCc1ccc(CCN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)cc1 ZINC001084355074 996481928 /nfs/dbraw/zinc/48/19/28/996481928.db2.gz DJWNKUIZJZPIHO-BRKWEVRTSA-N 1 3 369.553 2.664 20 0 FFADHO C[NH+](C)CCn1c(=O)ccc2c1CCN(Cc1ccc(C(C)(C)C)[nH]1)CC2 ZINC001137373957 1016046921 /nfs/dbraw/zinc/04/69/21/1016046921.db2.gz SYRWUPKIJMWWCG-UHFFFAOYSA-N 1 3 370.541 2.636 20 0 FFADHO CC[C@H](C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)N(CC)CC ZINC000844163576 997688995 /nfs/dbraw/zinc/68/89/95/997688995.db2.gz DBLYZBANAAAFSR-GOSISDBHSA-N 1 3 361.486 2.654 20 0 FFADHO [NH3+]Cc1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000844178907 997696707 /nfs/dbraw/zinc/69/67/07/997696707.db2.gz BWBUBQGAWCXBRI-UHFFFAOYSA-N 1 3 353.466 2.602 20 0 FFADHO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC2(C1)CC[NH2+]CC2 ZINC000844222941 997713627 /nfs/dbraw/zinc/71/36/27/997713627.db2.gz NZVRAHCOPHFYEE-OAHLLOKOSA-N 1 3 372.538 2.719 20 0 FFADHO COc1cc(CN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1OC(F)F ZINC000903717946 1016149942 /nfs/dbraw/zinc/14/99/42/1016149942.db2.gz GJKYWLNEQSZOSJ-HNNXBMFYSA-N 1 3 370.440 2.887 20 0 FFADHO c1cc2c(cc1[C@H]1CCCN1C[C@@H]1CC3(CO1)CC[NH2+]CC3)OCCO2 ZINC000903717504 1016149981 /nfs/dbraw/zinc/14/99/81/1016149981.db2.gz BBGBESFIHXFMEK-ZWKOTPCHSA-N 1 3 358.482 2.753 20 0 FFADHO C(=C\C[NH+]1CCC(n2cccn2)CC1)\CN1CCC(n2cccn2)CC1 ZINC000731355706 997852386 /nfs/dbraw/zinc/85/23/86/997852386.db2.gz PXSHJEBLFTYGOC-UPHRSURJSA-N 1 3 354.502 2.610 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]32)cc1F ZINC001084944123 998240881 /nfs/dbraw/zinc/24/08/81/998240881.db2.gz UIFDSLDGNGZYMI-VELGLUOQSA-N 1 3 373.516 2.897 20 0 FFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]32)cc1F ZINC001084944123 998240894 /nfs/dbraw/zinc/24/08/94/998240894.db2.gz UIFDSLDGNGZYMI-VELGLUOQSA-N 1 3 373.516 2.897 20 0 FFADHO CN(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](C/C=C\c3ccccc3)[C@H]2C1)C1CC1 ZINC001084958040 998355818 /nfs/dbraw/zinc/35/58/18/998355818.db2.gz JEZZXIBDJMGMNA-ZQJIMHNUSA-N 1 3 367.537 2.963 20 0 FFADHO CN(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C/C=C\c3ccccc3)[C@H]2C1)C1CC1 ZINC001084958040 998355833 /nfs/dbraw/zinc/35/58/33/998355833.db2.gz JEZZXIBDJMGMNA-ZQJIMHNUSA-N 1 3 367.537 2.963 20 0 FFADHO O=C(N1CC[C@H]2CCN(Cc3ccccc3)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001084980578 998506296 /nfs/dbraw/zinc/50/62/96/998506296.db2.gz HJXHOFWPTFEQJR-UXHICEINSA-N 1 3 353.510 2.738 20 0 FFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(c3nc4ccccc4[nH]3)CC2)cnn1C ZINC000903879224 1016282342 /nfs/dbraw/zinc/28/23/42/1016282342.db2.gz VZRKWDMXCMEVBT-MRXNPFEDSA-N 1 3 366.513 2.602 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2c(C)noc2C)CC[N@@H+]1C ZINC001085203282 999157127 /nfs/dbraw/zinc/15/71/27/999157127.db2.gz ADWULUTZRBVIFR-JCHJZTRSSA-N 1 3 362.518 2.539 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2c(C)noc2C)CC[N@H+]1C ZINC001085203282 999157131 /nfs/dbraw/zinc/15/71/31/999157131.db2.gz ADWULUTZRBVIFR-JCHJZTRSSA-N 1 3 362.518 2.539 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(Cl)s2)CC[N@@H+]1C ZINC001085204015 999157733 /nfs/dbraw/zinc/15/77/33/999157733.db2.gz PJHXAFGXNJFQJY-NMFUWQPSSA-N 1 3 370.950 2.654 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(Cl)s2)CC[N@H+]1C ZINC001085204015 999157735 /nfs/dbraw/zinc/15/77/35/999157735.db2.gz PJHXAFGXNJFQJY-NMFUWQPSSA-N 1 3 370.950 2.654 20 0 FFADHO Cc1c(C[C@H](CN)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cnn1C ZINC000903900081 1016295577 /nfs/dbraw/zinc/29/55/77/1016295577.db2.gz ZNXPPRBCMFHCGO-XMSQKQJNSA-N 1 3 370.541 2.608 20 0 FFADHO Cc1c(C[C@H](CN)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cnn1C ZINC000903900081 1016295585 /nfs/dbraw/zinc/29/55/85/1016295585.db2.gz ZNXPPRBCMFHCGO-XMSQKQJNSA-N 1 3 370.541 2.608 20 0 FFADHO Cc1c(C[C@H](CN)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cnn1C ZINC000903900079 1016296162 /nfs/dbraw/zinc/29/61/62/1016296162.db2.gz ZNXPPRBCMFHCGO-GCJKJVERSA-N 1 3 370.541 2.608 20 0 FFADHO Cc1c(C[C@H](CN)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cnn1C ZINC000903900079 1016296171 /nfs/dbraw/zinc/29/61/71/1016296171.db2.gz ZNXPPRBCMFHCGO-GCJKJVERSA-N 1 3 370.541 2.608 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085254893 999269528 /nfs/dbraw/zinc/26/95/28/999269528.db2.gz CSSNVJFCGWHEFP-KZNAEPCWSA-N 1 3 364.559 2.781 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001085254893 999269530 /nfs/dbraw/zinc/26/95/30/999269530.db2.gz CSSNVJFCGWHEFP-KZNAEPCWSA-N 1 3 364.559 2.781 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085306852 999331464 /nfs/dbraw/zinc/33/14/64/999331464.db2.gz UJTHATVCGOETJU-KBAYOESNSA-N 1 3 364.559 2.782 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncs2)C1 ZINC001085306852 999331470 /nfs/dbraw/zinc/33/14/70/999331470.db2.gz UJTHATVCGOETJU-KBAYOESNSA-N 1 3 364.559 2.782 20 0 FFADHO CC[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2)OC ZINC001096604022 1016340852 /nfs/dbraw/zinc/34/08/52/1016340852.db2.gz FDGVVKZCSITQDM-FYQPLNBISA-N 1 3 359.514 2.508 20 0 FFADHO CC[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2)OC ZINC001096604022 1016340858 /nfs/dbraw/zinc/34/08/58/1016340858.db2.gz FDGVVKZCSITQDM-FYQPLNBISA-N 1 3 359.514 2.508 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1 ZINC001096605490 1016343834 /nfs/dbraw/zinc/34/38/34/1016343834.db2.gz RLZFSVRIPOSSHP-GIVPXCGWSA-N 1 3 371.525 2.510 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCOCC1 ZINC001096605490 1016343844 /nfs/dbraw/zinc/34/38/44/1016343844.db2.gz RLZFSVRIPOSSHP-GIVPXCGWSA-N 1 3 371.525 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC001086370893 999875671 /nfs/dbraw/zinc/87/56/71/999875671.db2.gz DRLQMPCINLRBGD-OWIUFQIYSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC001086370893 999875673 /nfs/dbraw/zinc/87/56/73/999875673.db2.gz DRLQMPCINLRBGD-OWIUFQIYSA-N 1 3 365.468 2.680 20 0 FFADHO COc1ccc(CN2CC[C@H](NC3CC[NH+](CC4CC4)CC3)CC2=O)cc1 ZINC001168910529 1000008183 /nfs/dbraw/zinc/00/81/83/1000008183.db2.gz XRIZTZVJZXXMAD-FQEVSTJZSA-N 1 3 371.525 2.650 20 0 FFADHO CC[NH+]1CCC(N[C@H]2CO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001169230484 1000032526 /nfs/dbraw/zinc/03/25/26/1000032526.db2.gz CIWLTXAUWLXEER-XLIONFOSSA-N 1 3 367.534 2.619 20 0 FFADHO CCOC(=O)N1CCC[C@H]([NH+]2CCC(N3CCC(OC)CC3)CC2)CC1 ZINC001169711987 1000071626 /nfs/dbraw/zinc/07/16/26/1000071626.db2.gz WVGWVHBRYALMEE-KRWDZBQOSA-N 1 3 367.534 2.573 20 0 FFADHO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)N(C)C)C3)c(C)c1 ZINC001109406093 1000393572 /nfs/dbraw/zinc/39/35/72/1000393572.db2.gz NNQDSTRIWZORFG-ANULTFPQSA-N 1 3 355.526 2.865 20 0 FFADHO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)N(C)C)C3)c(C)c1 ZINC001109406093 1000393575 /nfs/dbraw/zinc/39/35/75/1000393575.db2.gz NNQDSTRIWZORFG-ANULTFPQSA-N 1 3 355.526 2.865 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109417828 1000408081 /nfs/dbraw/zinc/40/80/81/1000408081.db2.gz OMNAGKOTZYITPK-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109417828 1000408086 /nfs/dbraw/zinc/40/80/86/1000408086.db2.gz OMNAGKOTZYITPK-ZRNYENFQSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001109473884 1000519283 /nfs/dbraw/zinc/51/92/83/1000519283.db2.gz ISXMJUAOYAZREJ-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO COCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001109473884 1000519286 /nfs/dbraw/zinc/51/92/86/1000519286.db2.gz ISXMJUAOYAZREJ-FUMNGEBKSA-N 1 3 365.562 2.645 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(C(=O)OCC)C2)CC1 ZINC000769939929 1000642567 /nfs/dbraw/zinc/64/25/67/1000642567.db2.gz UJCMIJZZFYOPCH-LJQANCHMSA-N 1 3 374.529 2.539 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c(C)c1 ZINC001109649932 1000778641 /nfs/dbraw/zinc/77/86/41/1000778641.db2.gz KNBMZNCZNPQFNS-AABGKKOBSA-N 1 3 355.526 2.867 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)c1 ZINC001091754279 1001231855 /nfs/dbraw/zinc/23/18/55/1001231855.db2.gz MOZBQHLVQXVJPS-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1cncc(CN2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)c1 ZINC001091754279 1001231861 /nfs/dbraw/zinc/23/18/61/1001231861.db2.gz MOZBQHLVQXVJPS-URVUXULASA-N 1 3 370.541 2.545 20 0 FFADHO Cc1ncoc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086882126 1001299613 /nfs/dbraw/zinc/29/96/13/1001299613.db2.gz BFXONHNPTPQUPE-QFBILLFUSA-N 1 3 370.497 2.733 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cccc(F)c3Cl)C2)C1 ZINC001086875443 1001312728 /nfs/dbraw/zinc/31/27/28/1001312728.db2.gz SKNKFEOTXGNMDL-NUEKZKHPSA-N 1 3 367.896 2.805 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cccc(F)c3Cl)C2)C1 ZINC001086875443 1001312734 /nfs/dbraw/zinc/31/27/34/1001312734.db2.gz SKNKFEOTXGNMDL-NUEKZKHPSA-N 1 3 367.896 2.805 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCN(C/C=C/Cl)CC2 ZINC001086923847 1001332297 /nfs/dbraw/zinc/33/22/97/1001332297.db2.gz CFVBGPDDBXKYPR-IYTHYRFTSA-N 1 3 353.938 2.782 20 0 FFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCN(C/C=C/Cl)CC2 ZINC001086923847 1001332300 /nfs/dbraw/zinc/33/23/00/1001332300.db2.gz CFVBGPDDBXKYPR-IYTHYRFTSA-N 1 3 353.938 2.782 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001112548459 1001458465 /nfs/dbraw/zinc/45/84/65/1001458465.db2.gz AFCNSJJWRTVAPE-LNLFQRSKSA-N 1 3 371.516 2.982 20 0 FFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c1 ZINC001092011523 1002279815 /nfs/dbraw/zinc/27/98/15/1002279815.db2.gz YHELIKCURPHTLG-ZEYPLWLESA-N 1 3 369.553 2.926 20 0 FFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c1 ZINC001092011523 1002279817 /nfs/dbraw/zinc/27/98/17/1002279817.db2.gz YHELIKCURPHTLG-ZEYPLWLESA-N 1 3 369.553 2.926 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CC4CC(F)(F)C4)C[C@@]3(C)C2)C1 ZINC001092014626 1002288758 /nfs/dbraw/zinc/28/87/58/1002288758.db2.gz ARCIKLLBWHKRGC-APWZRJJASA-N 1 3 369.500 2.544 20 0 FFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@@]3(C)C2)C1 ZINC001092014626 1002288767 /nfs/dbraw/zinc/28/87/67/1002288767.db2.gz ARCIKLLBWHKRGC-APWZRJJASA-N 1 3 369.500 2.544 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC001092071080 1002367579 /nfs/dbraw/zinc/36/75/79/1002367579.db2.gz FVBNNCNXDFDREY-PRXHHAMVSA-N 1 3 353.938 2.784 20 0 FFADHO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790747424 1002479706 /nfs/dbraw/zinc/47/97/06/1002479706.db2.gz DGZFKSDZFPSDCI-TZIWHRDSSA-N 1 3 359.558 2.988 20 0 FFADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CN(C/C=C\Cl)C[C@@]3(C)C2)c1 ZINC001092298123 1002623149 /nfs/dbraw/zinc/62/31/49/1002623149.db2.gz OFLMJVJXMSBIJY-JWEJTFIQSA-N 1 3 361.917 2.895 20 0 FFADHO C[C@H](F)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092296257 1002715439 /nfs/dbraw/zinc/71/54/39/1002715439.db2.gz HUDPXGVEYFZBGU-SCWSEQNSSA-N 1 3 361.505 2.890 20 0 FFADHO C[C@H](F)CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092296257 1002715456 /nfs/dbraw/zinc/71/54/56/1002715456.db2.gz HUDPXGVEYFZBGU-SCWSEQNSSA-N 1 3 361.505 2.890 20 0 FFADHO Cc1ccc(F)c(CN2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001001421411 1016795690 /nfs/dbraw/zinc/79/56/90/1016795690.db2.gz WHJWWSLGXHZSJH-VQIMIIECSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(CN2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001001421411 1016795702 /nfs/dbraw/zinc/79/57/02/1016795702.db2.gz WHJWWSLGXHZSJH-VQIMIIECSA-N 1 3 361.505 2.803 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401952 1004195554 /nfs/dbraw/zinc/19/55/54/1004195554.db2.gz DDROUFGMNOZUKC-MOPGFXCFSA-N 1 3 356.514 2.957 20 0 FFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401952 1004195557 /nfs/dbraw/zinc/19/55/57/1004195557.db2.gz DDROUFGMNOZUKC-MOPGFXCFSA-N 1 3 356.514 2.957 20 0 FFADHO COc1ccc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1 ZINC000775973150 1004947062 /nfs/dbraw/zinc/94/70/62/1004947062.db2.gz PAUCXAGQIXMQSF-UHFFFAOYSA-N 1 3 360.546 2.718 20 0 FFADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CO2 ZINC000827064550 1016964328 /nfs/dbraw/zinc/96/43/28/1016964328.db2.gz CSUQIASKBYKQCT-INIZCTEOSA-N 1 3 367.534 2.617 20 0 FFADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCCF)CC[C@@H]1c1ccc(F)cc1 ZINC001489095912 1005407415 /nfs/dbraw/zinc/40/74/15/1005407415.db2.gz AUITWSNFLUWDOX-RTBURBONSA-N 1 3 367.484 2.801 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2oc(C)nc2C)C1 ZINC001086712143 1005959199 /nfs/dbraw/zinc/95/91/99/1005959199.db2.gz RDCAEGWUAWSHDN-RCCFBDPRSA-N 1 3 362.518 2.540 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2oc(C)nc2C)C1 ZINC001086712143 1005959202 /nfs/dbraw/zinc/95/92/02/1005959202.db2.gz RDCAEGWUAWSHDN-RCCFBDPRSA-N 1 3 362.518 2.540 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)CN(C)C ZINC000813877384 1006068664 /nfs/dbraw/zinc/06/86/64/1006068664.db2.gz ULQJNDFBNXVCGG-XDNAFOTISA-N 1 3 369.550 2.578 20 0 FFADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)nn1 ZINC000883432433 1006790059 /nfs/dbraw/zinc/79/00/59/1006790059.db2.gz RGDVURPCEVNQSA-AABGKKOBSA-N 1 3 355.486 2.684 20 0 FFADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)C2)nn1 ZINC000883432433 1006790073 /nfs/dbraw/zinc/79/00/73/1006790073.db2.gz RGDVURPCEVNQSA-AABGKKOBSA-N 1 3 355.486 2.684 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCC3CCOCC3)CC2)C1 ZINC001202620529 1007132382 /nfs/dbraw/zinc/13/23/82/1007132382.db2.gz BJTXBXXGEVICSV-GOSISDBHSA-N 1 3 352.519 2.543 20 0 FFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CCC3CCOCC3)CC2)C1 ZINC001202620529 1007132388 /nfs/dbraw/zinc/13/23/88/1007132388.db2.gz BJTXBXXGEVICSV-GOSISDBHSA-N 1 3 352.519 2.543 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC001116240202 1032209570 /nfs/dbraw/zinc/20/95/70/1032209570.db2.gz ZFAKSHVGPZQPGI-QUCCMNQESA-N 1 3 370.541 2.838 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)cc1 ZINC001116240202 1032209584 /nfs/dbraw/zinc/20/95/84/1032209584.db2.gz ZFAKSHVGPZQPGI-QUCCMNQESA-N 1 3 370.541 2.838 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNCc2ncc(C)s2)CC[N@@H+]1C ZINC001170871387 1007616617 /nfs/dbraw/zinc/61/66/17/1007616617.db2.gz PJWLCBCHLMLECV-BHYGNILZSA-N 1 3 366.575 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNCc2ncc(C)s2)CC[N@H+]1C ZINC001170871387 1007616624 /nfs/dbraw/zinc/61/66/24/1007616624.db2.gz PJWLCBCHLMLECV-BHYGNILZSA-N 1 3 366.575 2.946 20 0 FFADHO Cc1nc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001170870810 1007630262 /nfs/dbraw/zinc/63/02/62/1007630262.db2.gz JSRDHBDIFUADCO-JJRVBVJISA-N 1 3 352.548 2.556 20 0 FFADHO Cc1nc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001170870810 1007630271 /nfs/dbraw/zinc/63/02/71/1007630271.db2.gz JSRDHBDIFUADCO-JJRVBVJISA-N 1 3 352.548 2.556 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNCc2csc(C)n2)CC[N@@H+]1C ZINC001170872154 1007641210 /nfs/dbraw/zinc/64/12/10/1007641210.db2.gz VHQLMPSYMZNHHZ-FHLIZLRMSA-N 1 3 366.575 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCCNCc2csc(C)n2)CC[N@H+]1C ZINC001170872154 1007641215 /nfs/dbraw/zinc/64/12/15/1007641215.db2.gz VHQLMPSYMZNHHZ-FHLIZLRMSA-N 1 3 366.575 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNCc2csc(C)n2)CC[N@@H+]1C ZINC001170872158 1007641306 /nfs/dbraw/zinc/64/13/06/1007641306.db2.gz VHQLMPSYMZNHHZ-JCGIZDLHSA-N 1 3 366.575 2.946 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCCNCc2csc(C)n2)CC[N@H+]1C ZINC001170872158 1007641308 /nfs/dbraw/zinc/64/13/08/1007641308.db2.gz VHQLMPSYMZNHHZ-JCGIZDLHSA-N 1 3 366.575 2.946 20 0 FFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000817971632 1007836259 /nfs/dbraw/zinc/83/62/59/1007836259.db2.gz FZNNGKZWAAZCJR-AEFFLSMTSA-N 1 3 371.447 2.888 20 0 FFADHO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc(OC)cc(C)n3)C2)ccn1 ZINC000856552686 1007883754 /nfs/dbraw/zinc/88/37/54/1007883754.db2.gz OPEBRTZKYHKHSJ-HXUWFJFHSA-N 1 3 370.497 2.899 20 0 FFADHO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc(OC)cc(C)n3)C2)ccn1 ZINC000856552686 1007883763 /nfs/dbraw/zinc/88/37/63/1007883763.db2.gz OPEBRTZKYHKHSJ-HXUWFJFHSA-N 1 3 370.497 2.899 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CCN(CC[C@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC000856591915 1007902392 /nfs/dbraw/zinc/90/23/92/1007902392.db2.gz RGDNGWKZDWRSIP-CTNGQTDRSA-N 1 3 360.546 2.861 20 0 FFADHO CCN(C)Cc1cc(O[C@H]2CCN(CC[C@H]3CCCC[N@H+]3C)C2)ccn1 ZINC000856591915 1007902398 /nfs/dbraw/zinc/90/23/98/1007902398.db2.gz RGDNGWKZDWRSIP-CTNGQTDRSA-N 1 3 360.546 2.861 20 0 FFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000818958084 1007996083 /nfs/dbraw/zinc/99/60/83/1007996083.db2.gz JGRGDJCKKHNCMD-JOCHJYFZSA-N 1 3 371.500 2.786 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110748550 1008376951 /nfs/dbraw/zinc/37/69/51/1008376951.db2.gz JCTVGRNTDKTYDH-QRVBRYPASA-N 1 3 365.562 2.788 20 0 FFADHO CCOCCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748550 1008376954 /nfs/dbraw/zinc/37/69/54/1008376954.db2.gz JCTVGRNTDKTYDH-QRVBRYPASA-N 1 3 365.562 2.788 20 0 FFADHO CN1CCN(CCCO[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001206589924 1032354693 /nfs/dbraw/zinc/35/46/93/1032354693.db2.gz IJLJYRWEWQTAJE-NRFANRHFSA-N 1 3 359.558 2.941 20 0 FFADHO CN1CCN(CCCO[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001206589924 1032354703 /nfs/dbraw/zinc/35/47/03/1032354703.db2.gz IJLJYRWEWQTAJE-NRFANRHFSA-N 1 3 359.558 2.941 20 0 FFADHO CN1CCN(CCCO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001206590521 1032357082 /nfs/dbraw/zinc/35/70/82/1032357082.db2.gz MHRYYRPBEMKIKY-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO CN1CCN(CCCO[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001206590521 1032357089 /nfs/dbraw/zinc/35/70/89/1032357089.db2.gz MHRYYRPBEMKIKY-KOUNCHBCSA-N 1 3 357.542 2.836 20 0 FFADHO Cn1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c(-c2ccccc2)n1 ZINC001178169748 1008910922 /nfs/dbraw/zinc/91/09/22/1008910922.db2.gz AOULBXGXPXVYFO-VQTJNVASSA-N 1 3 354.498 2.555 20 0 FFADHO COc1cccnc1CN1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001206627945 1032370350 /nfs/dbraw/zinc/37/03/50/1032370350.db2.gz PLOVETKYOXJZGS-QGZVFWFLSA-N 1 3 371.481 2.939 20 0 FFADHO COc1cccnc1CN1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001206627945 1032370361 /nfs/dbraw/zinc/37/03/61/1032370361.db2.gz PLOVETKYOXJZGS-QGZVFWFLSA-N 1 3 371.481 2.939 20 0 FFADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000887134828 1009044471 /nfs/dbraw/zinc/04/44/71/1009044471.db2.gz QQIDQJLHJHVACT-QGZVFWFLSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000887134828 1009044485 /nfs/dbraw/zinc/04/44/85/1009044485.db2.gz QQIDQJLHJHVACT-QGZVFWFLSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000887134828 1009044499 /nfs/dbraw/zinc/04/44/99/1009044499.db2.gz QQIDQJLHJHVACT-QGZVFWFLSA-N 1 3 358.530 2.877 20 0 FFADHO CN(C)C1(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CCC1 ZINC000119587157 1010287117 /nfs/dbraw/zinc/28/71/17/1010287117.db2.gz FBIVNJRPUFRPKS-KRWDZBQOSA-N 1 3 357.498 2.575 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001093824200 1010595058 /nfs/dbraw/zinc/59/50/58/1010595058.db2.gz KBQKJEPYOJHFDX-ZTNFWEORSA-N 1 3 361.505 2.658 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC001093824029 1010595749 /nfs/dbraw/zinc/59/57/49/1010595749.db2.gz DBHGEPDHPGEWGA-MRRJBJDNSA-N 1 3 369.962 2.926 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)[C@H](C)C1)N(C)C ZINC001093857559 1010633639 /nfs/dbraw/zinc/63/36/39/1010633639.db2.gz LAWYCGBRVCONAI-XFQXTVEOSA-N 1 3 356.514 2.692 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c(C)s1 ZINC001094043737 1010806079 /nfs/dbraw/zinc/80/60/79/1010806079.db2.gz WHVBCKCQPVAILZ-SPYBWZPUSA-N 1 3 363.571 2.891 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2scnc2C)[C@H](C)C1 ZINC001094241511 1010985190 /nfs/dbraw/zinc/98/51/90/1010985190.db2.gz JSFRSJPHSRNYFW-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857827 1011244249 /nfs/dbraw/zinc/24/42/49/1011244249.db2.gz SDEZQNLDPOXRSA-QRVBRYPASA-N 1 3 365.562 2.645 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645203972 1011382270 /nfs/dbraw/zinc/38/22/70/1011382270.db2.gz XUKOTQWWUOJKAK-DFQSSKMNSA-N 1 3 358.530 2.948 20 0 FFADHO CCCN(C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000645203972 1011382274 /nfs/dbraw/zinc/38/22/74/1011382274.db2.gz XUKOTQWWUOJKAK-DFQSSKMNSA-N 1 3 358.530 2.948 20 0 FFADHO CCCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645382895 1011462854 /nfs/dbraw/zinc/46/28/54/1011462854.db2.gz SNFKDNUPWZWFNQ-PXNSSMCTSA-N 1 3 373.545 2.733 20 0 FFADHO CCCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645382895 1011462863 /nfs/dbraw/zinc/46/28/63/1011462863.db2.gz SNFKDNUPWZWFNQ-PXNSSMCTSA-N 1 3 373.545 2.733 20 0 FFADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000645383225 1011462881 /nfs/dbraw/zinc/46/28/81/1011462881.db2.gz AZCKUBWHCRRTKX-FQEVSTJZSA-N 1 3 373.522 2.563 20 0 FFADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001171907748 1011530708 /nfs/dbraw/zinc/53/07/08/1011530708.db2.gz YOQQYFPDWBLNSE-QHAWAJNXSA-N 1 3 355.526 2.955 20 0 FFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001171907748 1011530718 /nfs/dbraw/zinc/53/07/18/1011530718.db2.gz YOQQYFPDWBLNSE-QHAWAJNXSA-N 1 3 355.526 2.955 20 0 FFADHO CC(C)N1CCN(CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171912132 1011532617 /nfs/dbraw/zinc/53/26/17/1011532617.db2.gz POVUCPUGMDKQKJ-UHFFFAOYSA-N 1 3 353.551 2.503 20 0 FFADHO CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC2 ZINC001274638613 1011551771 /nfs/dbraw/zinc/55/17/71/1011551771.db2.gz PLFCKAQSHWXSRS-SFHVURJKSA-N 1 3 359.489 2.592 20 0 FFADHO CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC2 ZINC001274638613 1011551780 /nfs/dbraw/zinc/55/17/80/1011551780.db2.gz PLFCKAQSHWXSRS-SFHVURJKSA-N 1 3 359.489 2.592 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989254 1011552750 /nfs/dbraw/zinc/55/27/50/1011552750.db2.gz BJVYPSGNRWNVOF-MOPGFXCFSA-N 1 3 360.498 2.694 20 0 FFADHO COC(=O)CO[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171989254 1011552757 /nfs/dbraw/zinc/55/27/57/1011552757.db2.gz BJVYPSGNRWNVOF-MOPGFXCFSA-N 1 3 360.498 2.694 20 0 FFADHO COCCCN1CCC([NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)CC1 ZINC001172250682 1011723352 /nfs/dbraw/zinc/72/33/52/1011723352.db2.gz FBKYRZDPCBSCIR-QZTJIDSGSA-N 1 3 363.571 2.613 20 0 FFADHO Cc1cc(N2CCN([C@@H]3CCN(Cc4ccccc4)C(=O)C3)CC2)cc[nH+]1 ZINC001172685699 1011936658 /nfs/dbraw/zinc/93/66/58/1011936658.db2.gz SVZIOYKQUDVBBF-OAQYLSRUSA-N 1 3 364.493 2.703 20 0 FFADHO C[NH+](C)CCN1c2ccccc2C2(CCN(CCC(F)(F)F)CC2)C1=O ZINC001275131793 1011980536 /nfs/dbraw/zinc/98/05/36/1011980536.db2.gz FJZTZEUIFONQFU-UHFFFAOYSA-N 1 3 369.431 2.881 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](CC3CCC3)C2)C1=O ZINC001275140516 1011991049 /nfs/dbraw/zinc/99/10/49/1011991049.db2.gz GRTQGYVFAOJUQD-RBBKRZOGSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@@H+](CC3CCC3)C2)C1=O ZINC001275140516 1011991057 /nfs/dbraw/zinc/99/10/57/1011991057.db2.gz GRTQGYVFAOJUQD-RBBKRZOGSA-N 1 3 355.526 2.666 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cc(Cl)ccc34)C2)C1=O ZINC001275161201 1012012783 /nfs/dbraw/zinc/01/27/83/1012012783.db2.gz ANIOHFORJHQHSW-HXUWFJFHSA-N 1 3 374.916 2.807 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C2)C1=O ZINC001275161201 1012012802 /nfs/dbraw/zinc/01/28/02/1012012802.db2.gz ANIOHFORJHQHSW-HXUWFJFHSA-N 1 3 374.916 2.807 20 0 FFADHO Cc1cc(NC(=O)CC[C@H]2CC[NH2+]C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542067 1012020778 /nfs/dbraw/zinc/02/07/78/1012020778.db2.gz GENZHEBCUNMCCD-SFHVURJKSA-N 1 3 358.530 2.854 20 0 FFADHO C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(C(F)F)c1)CC2 ZINC001275464463 1012492389 /nfs/dbraw/zinc/49/23/89/1012492389.db2.gz HLEIJGSVCHPBDE-KRWDZBQOSA-N 1 3 365.468 2.904 20 0 FFADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173370226 1012511930 /nfs/dbraw/zinc/51/19/30/1012511930.db2.gz BAVCCHVSGYKCDO-KLHDSHLOSA-N 1 3 370.534 2.639 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544266 1012527424 /nfs/dbraw/zinc/52/74/24/1012527424.db2.gz YWOCYLRPWJCEGA-GJZGRUSLSA-N 1 3 374.451 2.881 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)CCC34CC(C3)C[NH2+]4)c2)CC1 ZINC000870912070 1012631589 /nfs/dbraw/zinc/63/15/89/1012631589.db2.gz YUFZJNDHSUAKKM-UHFFFAOYSA-N 1 3 356.514 2.688 20 0 FFADHO COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975680 1012651028 /nfs/dbraw/zinc/65/10/28/1012651028.db2.gz DMWMDTLFUIPRRC-RCCFBDPRSA-N 1 3 359.514 2.584 20 0 FFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCC1(c2ccccc2)CC1 ZINC000647976166 1012654474 /nfs/dbraw/zinc/65/44/74/1012654474.db2.gz LCTFYMSTUJJHML-MOPGFXCFSA-N 1 3 355.526 2.546 20 0 FFADHO C[N@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173757640 1012948040 /nfs/dbraw/zinc/94/80/40/1012948040.db2.gz ABYFEVCHDVPQFX-PMACEKPBSA-N 1 3 354.502 2.753 20 0 FFADHO C[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173757640 1012948054 /nfs/dbraw/zinc/94/80/54/1012948054.db2.gz ABYFEVCHDVPQFX-PMACEKPBSA-N 1 3 354.502 2.753 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1=O ZINC001275761792 1012972536 /nfs/dbraw/zinc/97/25/36/1012972536.db2.gz QBKGKSDTJBZFMJ-HXUWFJFHSA-N 1 3 363.933 2.759 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1=O ZINC001275761792 1012972541 /nfs/dbraw/zinc/97/25/41/1012972541.db2.gz QBKGKSDTJBZFMJ-HXUWFJFHSA-N 1 3 363.933 2.759 20 0 FFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1)C12CCC[NH+](CCC1)C2 ZINC001097316625 1017339585 /nfs/dbraw/zinc/33/95/85/1017339585.db2.gz WBCWAXCHAVNHOM-ZACQAIPSSA-N 1 3 367.484 2.629 20 0 FFADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cn2c(n1)CCCC2 ZINC000925156733 1017644316 /nfs/dbraw/zinc/64/43/16/1017644316.db2.gz QIJNGJDQKATBCD-SFHVURJKSA-N 1 3 359.562 2.820 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000925547497 1017781843 /nfs/dbraw/zinc/78/18/43/1017781843.db2.gz VUMHTIJVQHCGCK-NEWSRXKRSA-N 1 3 359.489 2.797 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CNCC3(CCOCC3)C2)c2ccccc21 ZINC000925794417 1017850350 /nfs/dbraw/zinc/85/03/50/1017850350.db2.gz URYOOLXDHAZAEX-DBVUQKKJSA-N 1 3 372.509 2.917 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001111455077 1017944049 /nfs/dbraw/zinc/94/40/49/1017944049.db2.gz LDTVDNBXEUOQFY-AQNXPRMDSA-N 1 3 359.514 2.508 20 0 FFADHO Cc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(C)n1 ZINC000679081509 1017944788 /nfs/dbraw/zinc/94/47/88/1017944788.db2.gz LULOUOMKUSXUPZ-NQIIRXRSSA-N 1 3 368.525 2.638 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000777615296 1018353260 /nfs/dbraw/zinc/35/32/60/1018353260.db2.gz PZDSSEYIXYWVQJ-KNQAVFIVSA-N 1 3 374.573 2.987 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](Nc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000777615296 1018353272 /nfs/dbraw/zinc/35/32/72/1018353272.db2.gz PZDSSEYIXYWVQJ-KNQAVFIVSA-N 1 3 374.573 2.987 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(O)c4ccccc34)C[C@@H]1C[NH2+]CCC2 ZINC001222125011 1032770389 /nfs/dbraw/zinc/77/03/89/1032770389.db2.gz CZNUPDHZBHTFQH-JTSKRJEESA-N 1 3 368.477 2.910 20 0 FFADHO CN(Cc1ccc2[nH]cnc2c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681755554 1018586647 /nfs/dbraw/zinc/58/66/47/1018586647.db2.gz HKZQTONXORUUTQ-OAQYLSRUSA-N 1 3 350.466 2.632 20 0 FFADHO CN(Cc1ccc2[nH]cnc2c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681755554 1018586654 /nfs/dbraw/zinc/58/66/54/1018586654.db2.gz HKZQTONXORUUTQ-OAQYLSRUSA-N 1 3 350.466 2.632 20 0 FFADHO CN(Cc1ccc2nc[nH]c2c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681755554 1018586660 /nfs/dbraw/zinc/58/66/60/1018586660.db2.gz HKZQTONXORUUTQ-OAQYLSRUSA-N 1 3 350.466 2.632 20 0 FFADHO CN(Cc1ccc2nc[nH]c2c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681755554 1018586668 /nfs/dbraw/zinc/58/66/68/1018586668.db2.gz HKZQTONXORUUTQ-OAQYLSRUSA-N 1 3 350.466 2.632 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000682122359 1018703438 /nfs/dbraw/zinc/70/34/38/1018703438.db2.gz DRRBKTITCKWGBW-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cccc4nccc(C)c34)C[C@@H]1C[NH2+]CCC2 ZINC001222136679 1032783507 /nfs/dbraw/zinc/78/35/07/1032783507.db2.gz XKWLWMBJQNZUEF-AVRDEDQJSA-N 1 3 367.493 2.908 20 0 FFADHO CCOC(=O)[C@@]12C[N@H+](Cc3cccc4nccc(C)c34)C[C@@H]1CNCCC2 ZINC001222136679 1032783523 /nfs/dbraw/zinc/78/35/23/1032783523.db2.gz XKWLWMBJQNZUEF-AVRDEDQJSA-N 1 3 367.493 2.908 20 0 FFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc4nccc(C)c34)C[C@@H]1CNCCC2 ZINC001222136679 1032783537 /nfs/dbraw/zinc/78/35/37/1032783537.db2.gz XKWLWMBJQNZUEF-AVRDEDQJSA-N 1 3 367.493 2.908 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)CC1 ZINC001110953686 1019184112 /nfs/dbraw/zinc/18/41/12/1019184112.db2.gz DCOJLLOWDWCWHN-KURKYZTESA-N 1 3 361.555 2.744 20 0 FFADHO CCc1onc(C)c1CN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000929280868 1019347626 /nfs/dbraw/zinc/34/76/26/1019347626.db2.gz ZSKXZSFBQGSURB-UHFFFAOYSA-N 1 3 364.534 2.606 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCCC[N@H+](C)C3)cc2)CC1 ZINC000929348164 1019378513 /nfs/dbraw/zinc/37/85/13/1019378513.db2.gz OTPDWDFEZPQAPN-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCCC[N@@H+](C)C3)cc2)CC1 ZINC000929348164 1019378530 /nfs/dbraw/zinc/37/85/30/1019378530.db2.gz OTPDWDFEZPQAPN-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2ccsc2)CC1 ZINC001095962931 1019615730 /nfs/dbraw/zinc/61/57/30/1019615730.db2.gz MSYUNIJYKMALJX-QYZOEREBSA-N 1 3 361.555 2.744 20 0 FFADHO C[C@@H](c1ccc2c(c1)CCC2)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981198 1019841399 /nfs/dbraw/zinc/84/13/99/1019841399.db2.gz LJZBCRATXXVLAY-NOOVBMIQSA-N 1 3 355.526 2.910 20 0 FFADHO Cc1nc([C@H]2CCN(CCCCC[N@@H+]3CC[C@H](c4noc(C)n4)C3)C2)no1 ZINC000931942017 1020637721 /nfs/dbraw/zinc/63/77/21/1020637721.db2.gz TXNLGNOYFQLTBM-IRXDYDNUSA-N 1 3 374.489 2.519 20 0 FFADHO Cc1nc([C@H]2CCN(CCCCC[N@H+]3CC[C@H](c4noc(C)n4)C3)C2)no1 ZINC000931942017 1020637725 /nfs/dbraw/zinc/63/77/25/1020637725.db2.gz TXNLGNOYFQLTBM-IRXDYDNUSA-N 1 3 374.489 2.519 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903356844 1020802656 /nfs/dbraw/zinc/80/26/56/1020802656.db2.gz UUGNCEPCPWYPRB-STZQEDGTSA-N 1 3 368.525 2.926 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903356844 1020802659 /nfs/dbraw/zinc/80/26/59/1020802659.db2.gz UUGNCEPCPWYPRB-STZQEDGTSA-N 1 3 368.525 2.926 20 0 FFADHO OC1(C2CCC2)CCN(C/C=C/C[NH+]2CCC(O)(C3CCC3)CC2)CC1 ZINC000932813583 1020907068 /nfs/dbraw/zinc/90/70/68/1020907068.db2.gz GYRBYDKUQSHVCY-OWOJBTEDSA-N 1 3 362.558 2.797 20 0 FFADHO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460246 1021157560 /nfs/dbraw/zinc/15/75/60/1021157560.db2.gz PWYRXUJZZWOUBN-RLLQIKCJSA-N 1 3 359.514 2.510 20 0 FFADHO COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111460246 1021157561 /nfs/dbraw/zinc/15/75/61/1021157561.db2.gz PWYRXUJZZWOUBN-RLLQIKCJSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145593195 1021690659 /nfs/dbraw/zinc/69/06/59/1021690659.db2.gz VUBGVEUMRDWYGF-SFHVURJKSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145593195 1021690663 /nfs/dbraw/zinc/69/06/63/1021690663.db2.gz VUBGVEUMRDWYGF-SFHVURJKSA-N 1 3 374.598 2.990 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC001117442760 1021699322 /nfs/dbraw/zinc/69/93/22/1021699322.db2.gz AQKZVHCGXCZGTO-HOJAQTOUSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC001117442760 1021699326 /nfs/dbraw/zinc/69/93/26/1021699326.db2.gz AQKZVHCGXCZGTO-HOJAQTOUSA-N 1 3 356.514 2.529 20 0 FFADHO C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C/C=C\c2ccccc2)C3)C1 ZINC001099159944 1021965771 /nfs/dbraw/zinc/96/57/71/1021965771.db2.gz MMCKBJDKWRCNOQ-JCNJJDMPSA-N 1 3 353.510 2.622 20 0 FFADHO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C/C=C\c2ccccc2)C3)C1 ZINC001099159944 1021965778 /nfs/dbraw/zinc/96/57/78/1021965778.db2.gz MMCKBJDKWRCNOQ-JCNJJDMPSA-N 1 3 353.510 2.622 20 0 FFADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000750427368 1021967001 /nfs/dbraw/zinc/96/70/01/1021967001.db2.gz GCKJSIZSAMPCBO-UHFFFAOYSA-N 1 3 374.573 2.923 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099159894 1021967052 /nfs/dbraw/zinc/96/70/52/1021967052.db2.gz LNQRUOHIVUREPJ-WFXMLNOXSA-N 1 3 359.489 2.557 20 0 FFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099159894 1021967065 /nfs/dbraw/zinc/96/70/65/1021967065.db2.gz LNQRUOHIVUREPJ-WFXMLNOXSA-N 1 3 359.489 2.557 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCc2ccc(C)cc2)CC[N@@H+]1C ZINC001038268633 1022644552 /nfs/dbraw/zinc/64/45/52/1022644552.db2.gz IYNODGWLQPBLEP-PCCBWWKXSA-N 1 3 357.542 2.848 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCc2ccc(C)cc2)CC[N@H+]1C ZINC001038268633 1022644560 /nfs/dbraw/zinc/64/45/60/1022644560.db2.gz IYNODGWLQPBLEP-PCCBWWKXSA-N 1 3 357.542 2.848 20 0 FFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001099505364 1022644593 /nfs/dbraw/zinc/64/45/93/1022644593.db2.gz HVCOCIJOSWVPOE-RXVVDRJESA-N 1 3 370.472 2.840 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119926809 1023164008 /nfs/dbraw/zinc/16/40/08/1023164008.db2.gz DOIATWBRFLUNPL-QYZOEREBSA-N 1 3 352.482 2.678 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001119926809 1023164011 /nfs/dbraw/zinc/16/40/11/1023164011.db2.gz DOIATWBRFLUNPL-QYZOEREBSA-N 1 3 352.482 2.678 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)C1 ZINC001111275575 1023289409 /nfs/dbraw/zinc/28/94/09/1023289409.db2.gz ZHKLEZHFRUPOLI-UKAVVXHISA-N 1 3 371.525 2.519 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)C1 ZINC001111275575 1023289415 /nfs/dbraw/zinc/28/94/15/1023289415.db2.gz ZHKLEZHFRUPOLI-UKAVVXHISA-N 1 3 371.525 2.519 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001120356590 1023313104 /nfs/dbraw/zinc/31/31/04/1023313104.db2.gz KGBHWYPDVVJBBT-CYBMUJFWSA-N 1 3 357.420 2.803 20 0 FFADHO Cc1c(O[C@H]2COCCN(Cc3ccccc3)C2)ccc2c1CC[NH2+]C2 ZINC001218356455 1033122458 /nfs/dbraw/zinc/12/24/58/1033122458.db2.gz HZPHGFFAHICCIX-HXUWFJFHSA-N 1 3 352.478 2.921 20 0 FFADHO CC/C=C\CCN1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363666 1033124694 /nfs/dbraw/zinc/12/46/94/1033124694.db2.gz YWPFPFBZHZLTLQ-ZYHOBAKYSA-N 1 3 363.546 2.519 20 0 FFADHO CC(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001122704550 1023424560 /nfs/dbraw/zinc/42/45/60/1023424560.db2.gz ZUGIPJBLXXSKMX-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO CC(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001122704550 1023424564 /nfs/dbraw/zinc/42/45/64/1023424564.db2.gz ZUGIPJBLXXSKMX-GOSISDBHSA-N 1 3 374.577 2.808 20 0 FFADHO C[N@@H+]1C[C@H](C(=O)N2CCN(CCC(C)(C)C)CC2)[C@@H](c2ccccc2)C1 ZINC000950631070 1023886212 /nfs/dbraw/zinc/88/62/12/1023886212.db2.gz XUKCCUFORCOSIY-UXHICEINSA-N 1 3 357.542 2.912 20 0 FFADHO C[N@H+]1C[C@H](C(=O)N2CCN(CCC(C)(C)C)CC2)[C@@H](c2ccccc2)C1 ZINC000950631070 1023886225 /nfs/dbraw/zinc/88/62/25/1023886225.db2.gz XUKCCUFORCOSIY-UXHICEINSA-N 1 3 357.542 2.912 20 0 FFADHO Cc1ccc(Oc2ncccc2NC(=O)[C@H](N)CCC[NH3+])c2c1CCC2 ZINC001218496872 1033183703 /nfs/dbraw/zinc/18/37/03/1033183703.db2.gz JLZJTHBYHUOYJQ-MRXNPFEDSA-N 1 3 354.454 2.676 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101230661 1024140240 /nfs/dbraw/zinc/14/02/40/1024140240.db2.gz DHRZKLQZIWRXDF-HBFSDRIKSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCCCF)C[C@@]2(C)C1 ZINC001101230661 1024140250 /nfs/dbraw/zinc/14/02/50/1024140250.db2.gz DHRZKLQZIWRXDF-HBFSDRIKSA-N 1 3 353.526 2.779 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102050037 1025360315 /nfs/dbraw/zinc/36/03/15/1025360315.db2.gz QULSFCWGPKUNOZ-VQIMIIECSA-N 1 3 361.505 2.825 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102050037 1025360327 /nfs/dbraw/zinc/36/03/27/1025360327.db2.gz QULSFCWGPKUNOZ-VQIMIIECSA-N 1 3 361.505 2.825 20 0 FFADHO Cc1cc(CN2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)ccc1Cl ZINC001141233884 1025653046 /nfs/dbraw/zinc/65/30/46/1025653046.db2.gz ZIYSWEPBOJCQLV-UHFFFAOYSA-N 1 3 373.928 2.973 20 0 FFADHO CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000638122651 1025712916 /nfs/dbraw/zinc/71/29/16/1025712916.db2.gz NUFRBQUTBYFKBE-OALUTQOASA-N 1 3 374.529 2.555 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](N3CCN(C)CC3)[C@H](C)C1)CC2 ZINC000638138190 1025718085 /nfs/dbraw/zinc/71/80/85/1025718085.db2.gz XJTMXNYHWHPFKX-NSISKUIASA-N 1 3 373.541 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](N3CCN(C)CC3)[C@H](C)C1)CC2 ZINC000638138190 1025718100 /nfs/dbraw/zinc/71/81/00/1025718100.db2.gz XJTMXNYHWHPFKX-NSISKUIASA-N 1 3 373.541 2.649 20 0 FFADHO COc1cc2c(cc1OC)[C@H](N1CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C1)CC2 ZINC000638138190 1025718119 /nfs/dbraw/zinc/71/81/19/1025718119.db2.gz XJTMXNYHWHPFKX-NSISKUIASA-N 1 3 373.541 2.649 20 0 FFADHO Cn1ccnc1C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000638698590 1025936822 /nfs/dbraw/zinc/93/68/22/1025936822.db2.gz KNTZVQCPZXCPDF-LJQANCHMSA-N 1 3 356.514 2.529 20 0 FFADHO Cn1ccnc1C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638698590 1025936828 /nfs/dbraw/zinc/93/68/28/1025936828.db2.gz KNTZVQCPZXCPDF-LJQANCHMSA-N 1 3 356.514 2.529 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C ZINC001102475249 1026053518 /nfs/dbraw/zinc/05/35/18/1026053518.db2.gz FYLVNJTXKSJREW-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C ZINC001102475249 1026053538 /nfs/dbraw/zinc/05/35/38/1026053538.db2.gz FYLVNJTXKSJREW-UYAOXDASSA-N 1 3 367.578 2.609 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639025424 1026137310 /nfs/dbraw/zinc/13/73/10/1026137310.db2.gz RTVGNJZVDJIQLM-NLWGTHIKSA-N 1 3 359.489 2.638 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCCOC)C[C@H]1C ZINC001102504644 1026153931 /nfs/dbraw/zinc/15/39/31/1026153931.db2.gz WYJSVVLRIDWFJI-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCCOC)C[C@H]1C ZINC001102504644 1026153941 /nfs/dbraw/zinc/15/39/41/1026153941.db2.gz WYJSVVLRIDWFJI-VAMGGRTRSA-N 1 3 367.578 2.752 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514401 1026183918 /nfs/dbraw/zinc/18/39/18/1026183918.db2.gz WDJBNJFMJKAFRX-RBSFLKMASA-N 1 3 369.962 2.927 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514401 1026183922 /nfs/dbraw/zinc/18/39/22/1026183922.db2.gz WDJBNJFMJKAFRX-RBSFLKMASA-N 1 3 369.962 2.927 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)cc1 ZINC001102601110 1026400155 /nfs/dbraw/zinc/40/01/55/1026400155.db2.gz LONRSZSHBCHQAK-WIYYLYMNSA-N 1 3 359.558 2.816 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)cc1 ZINC001102601110 1026400160 /nfs/dbraw/zinc/40/01/60/1026400160.db2.gz LONRSZSHBCHQAK-WIYYLYMNSA-N 1 3 359.558 2.816 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600957 1026400231 /nfs/dbraw/zinc/40/02/31/1026400231.db2.gz FAZNOSPRTIFEAZ-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600957 1026400240 /nfs/dbraw/zinc/40/02/40/1026400240.db2.gz FAZNOSPRTIFEAZ-TZIWHRDSSA-N 1 3 359.558 2.952 20 0 FFADHO COc1cccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1C ZINC001102600660 1026401588 /nfs/dbraw/zinc/40/15/88/1026401588.db2.gz OYECCGHKBBSUGJ-VQIMIIECSA-N 1 3 361.530 2.528 20 0 FFADHO COc1cccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1C ZINC001102600660 1026401592 /nfs/dbraw/zinc/40/15/92/1026401592.db2.gz OYECCGHKBBSUGJ-VQIMIIECSA-N 1 3 361.530 2.528 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cc4cccnc4cc3F)CC2)CC1 ZINC001141637235 1026702559 /nfs/dbraw/zinc/70/25/59/1026702559.db2.gz UCXHHSLECVKLGL-UHFFFAOYSA-N 1 3 356.489 2.833 20 0 FFADHO COc1ccc2nc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)c(C)nc2c1 ZINC001158588781 1027069590 /nfs/dbraw/zinc/06/95/90/1027069590.db2.gz DXCSYROOXAKSEX-UHFFFAOYSA-N 1 3 369.513 2.599 20 0 FFADHO CN1CCC(N(c2cc(-c3ccccc3)ncn2)C2CC[NH2+]CC2)CC1 ZINC001158588871 1027070377 /nfs/dbraw/zinc/07/03/77/1027070377.db2.gz HXJDPEZXTQTRSN-UHFFFAOYSA-N 1 3 351.498 2.796 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000641590363 1027251262 /nfs/dbraw/zinc/25/12/62/1027251262.db2.gz BRIQMTYUBCFFFJ-UHFFFAOYSA-N 1 3 356.514 2.522 20 0 FFADHO CN(CCN(Cc1ccccc1)C(=O)NC/C=C\C[NH3+])Cc1ccccc1 ZINC000641869677 1027340835 /nfs/dbraw/zinc/34/08/35/1027340835.db2.gz FCESOGLKMCNRNF-HJWRWDBZSA-N 1 3 366.509 2.845 20 0 FFADHO C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378891 1027351915 /nfs/dbraw/zinc/35/19/15/1027351915.db2.gz PQELPOHHHPVENE-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO COCc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001159467684 1027400163 /nfs/dbraw/zinc/40/01/63/1027400163.db2.gz RDEWDJMDNUOTLS-UHFFFAOYSA-N 1 3 365.481 2.533 20 0 FFADHO CC[C@@H](C(=O)NCC[C@@H]1CN(Cc2ccns2)C[C@H]1C)[NH+](CC)CC ZINC001103426908 1027460129 /nfs/dbraw/zinc/46/01/29/1027460129.db2.gz SPPBFSAHFOXXSD-NUJGCVRESA-N 1 3 366.575 2.838 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2C)C1 ZINC001103436182 1027482031 /nfs/dbraw/zinc/48/20/31/1027482031.db2.gz NVHUETXOFJSBKO-RCCFBDPRSA-N 1 3 363.571 2.707 20 0 FFADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2C)C1 ZINC001103436182 1027482042 /nfs/dbraw/zinc/48/20/42/1027482042.db2.gz NVHUETXOFJSBKO-RCCFBDPRSA-N 1 3 363.571 2.707 20 0 FFADHO CCN(CC)Cc1nc2sc(C)c(C)c2c(N[C@@H](N)CCC[NH3+])n1 ZINC001159786838 1027498608 /nfs/dbraw/zinc/49/86/08/1027498608.db2.gz LEYBJZPMUAMWGD-CYBMUJFWSA-N 1 3 350.536 2.586 20 0 FFADHO O=C1OCCN1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248411135 1027607937 /nfs/dbraw/zinc/60/79/37/1027607937.db2.gz YVOVGBSJRSWUHJ-SLFFLAALSA-N 1 3 357.498 2.719 20 0 FFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H](N)CC3CCC3)C[C@H]21 ZINC001160424714 1027699897 /nfs/dbraw/zinc/69/98/97/1027699897.db2.gz ZCQVSEJVIZOJND-FYZZASKESA-N 1 3 370.541 2.658 20 0 FFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H](N)CC3CCC3)C[C@H]21 ZINC001160424714 1027699901 /nfs/dbraw/zinc/69/99/01/1027699901.db2.gz ZCQVSEJVIZOJND-FYZZASKESA-N 1 3 370.541 2.658 20 0 FFADHO N[C@H](CC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC001160973410 1027953317 /nfs/dbraw/zinc/95/33/17/1027953317.db2.gz VCWJPKFWZUDYQZ-JOYOIKCWSA-N 1 3 352.212 2.578 20 0 FFADHO CC(C)(C)CN(C(=O)[C@@]1(N)CCc2cc(F)ccc2C1)C1CC[NH2+]CC1 ZINC001161262044 1028102581 /nfs/dbraw/zinc/10/25/81/1028102581.db2.gz QDQWJWDVWUIRNI-OAQYLSRUSA-N 1 3 361.505 2.639 20 0 FFADHO CN(C)CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001161442946 1028177933 /nfs/dbraw/zinc/17/79/33/1028177933.db2.gz JAMURAOFEKBLMT-OAQYLSRUSA-N 1 3 365.521 2.961 20 0 FFADHO COc1cc2ccccc2cc1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161452477 1028184714 /nfs/dbraw/zinc/18/47/14/1028184714.db2.gz RYJPINZDTQQSSQ-SFHVURJKSA-N 1 3 355.482 2.604 20 0 FFADHO O=C(c1cc2c(s1)CNCC2)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161599137 1028246238 /nfs/dbraw/zinc/24/62/38/1028246238.db2.gz NUASLDYTEDIBBS-UHFFFAOYSA-N 1 3 353.491 2.629 20 0 FFADHO CCOC(=O)c1cc(NC(=[NH2+])NCCN(CC)CC)nc2ccccc21 ZINC001163126510 1028813178 /nfs/dbraw/zinc/81/31/78/1028813178.db2.gz SCPOHRYVPGOIGA-UHFFFAOYSA-N 1 3 357.458 2.690 20 0 FFADHO Cc1cccc(N2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)n1 ZINC001163668321 1029017117 /nfs/dbraw/zinc/01/71/17/1029017117.db2.gz SKGHIIFGTYOFAV-UHFFFAOYSA-N 1 3 367.497 2.585 20 0 FFADHO Cc1nc(C)c(NCC2(N(C)C)CC[NH+](C)CC2)cc1Br ZINC001164210894 1029202784 /nfs/dbraw/zinc/20/27/84/1029202784.db2.gz KCPANDWYLMDDGF-UHFFFAOYSA-N 1 3 355.324 2.899 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCc3cc(F)ccc3F)CC2)CC[N@@H+]1C ZINC001164578718 1029329775 /nfs/dbraw/zinc/32/97/75/1029329775.db2.gz ONKPQKOOZGAEST-RHSMWYFYSA-N 1 3 365.468 2.681 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCc3cc(F)ccc3F)CC2)CC[N@H+]1C ZINC001164578718 1029329793 /nfs/dbraw/zinc/32/97/93/1029329793.db2.gz ONKPQKOOZGAEST-RHSMWYFYSA-N 1 3 365.468 2.681 20 0 FFADHO CN(C)C1(C)CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001165121703 1029405460 /nfs/dbraw/zinc/40/54/60/1029405460.db2.gz KKKORHPNUGILKY-UHFFFAOYSA-N 1 3 356.848 2.797 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782785 1029438044 /nfs/dbraw/zinc/43/80/44/1029438044.db2.gz YAJVGQPMYYIASL-VWPQPMDRSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ncccc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782785 1029438051 /nfs/dbraw/zinc/43/80/51/1029438051.db2.gz YAJVGQPMYYIASL-VWPQPMDRSA-N 1 3 370.541 2.735 20 0 FFADHO [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157580260 1029621884 /nfs/dbraw/zinc/62/18/84/1029621884.db2.gz XQXZPWXVAXVJFC-OAQYLSRUSA-N 1 3 373.541 2.645 20 0 FFADHO CN[C@@H](COCc1ccccc1)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158028345 1029711491 /nfs/dbraw/zinc/71/14/91/1029711491.db2.gz PCJITPPDQQSRIH-RBBKRZOGSA-N 1 3 373.541 2.564 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949141 1029787271 /nfs/dbraw/zinc/78/72/71/1029787271.db2.gz PSGMDSJZLDAMLH-FPOVZHCZSA-N 1 3 358.530 2.593 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC001158412052 1029822781 /nfs/dbraw/zinc/82/27/81/1029822781.db2.gz KKAHQDABAUCJAJ-LSDHHAIUSA-N 1 3 366.575 2.767 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC001158412052 1029822790 /nfs/dbraw/zinc/82/27/90/1029822790.db2.gz KKAHQDABAUCJAJ-LSDHHAIUSA-N 1 3 366.575 2.767 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000840834578 1029890056 /nfs/dbraw/zinc/89/00/56/1029890056.db2.gz ZNZHONWBUVUVKK-HXUWFJFHSA-N 1 3 374.598 2.940 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000840834578 1029890065 /nfs/dbraw/zinc/89/00/65/1029890065.db2.gz ZNZHONWBUVUVKK-HXUWFJFHSA-N 1 3 374.598 2.940 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000841019938 1029979527 /nfs/dbraw/zinc/97/95/27/1029979527.db2.gz OWXUGUCTOPSDJF-ZBFHGGJFSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000841019938 1029979536 /nfs/dbraw/zinc/97/95/36/1029979536.db2.gz OWXUGUCTOPSDJF-ZBFHGGJFSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000841019936 1029980596 /nfs/dbraw/zinc/98/05/96/1029980596.db2.gz OWXUGUCTOPSDJF-GOEBONIOSA-N 1 3 369.431 2.692 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000841019936 1029980614 /nfs/dbraw/zinc/98/06/14/1029980614.db2.gz OWXUGUCTOPSDJF-GOEBONIOSA-N 1 3 369.431 2.692 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001165623157 1030058754 /nfs/dbraw/zinc/05/87/54/1030058754.db2.gz GJIWHYOJSRHCED-HXUWFJFHSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001165623157 1030058789 /nfs/dbraw/zinc/05/87/89/1030058789.db2.gz GJIWHYOJSRHCED-HXUWFJFHSA-N 1 3 358.530 2.530 20 0 FFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142348345 1030334148 /nfs/dbraw/zinc/33/41/48/1030334148.db2.gz SHKSNRUHFPNVFK-GOSISDBHSA-N 1 3 358.530 2.530 20 0 FFADHO [NH3+]CCc1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000841823335 1030488189 /nfs/dbraw/zinc/48/81/89/1030488189.db2.gz XQIQQSHNAAFOJR-OAQYLSRUSA-N 1 3 366.509 2.652 20 0 FFADHO Cn1cccc1CN1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001203260631 1030656010 /nfs/dbraw/zinc/65/60/10/1030656010.db2.gz YWPYPYKDPPWHGE-NJDAHSKKSA-N 1 3 361.530 2.505 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCOC)C1 ZINC001112382095 1030707665 /nfs/dbraw/zinc/70/76/65/1030707665.db2.gz DWRDIJGXWWCWLK-ZJOUEHCJSA-N 1 3 365.562 2.506 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1 ZINC001112382150 1030709958 /nfs/dbraw/zinc/70/99/58/1030709958.db2.gz IDHFFHXQQKUYPF-KLCJXICPSA-N 1 3 353.938 2.832 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1 ZINC001112382151 1030710866 /nfs/dbraw/zinc/71/08/66/1030710866.db2.gz IDHFFHXQQKUYPF-NOBNYHECSA-N 1 3 353.938 2.832 20 0 FFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001112401577 1030747130 /nfs/dbraw/zinc/74/71/30/1030747130.db2.gz MRVNQSBPFNTAKU-YOEHRIQHSA-N 1 3 361.452 2.641 20 0 FFADHO CCSc1ccccc1C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001276413388 1030771924 /nfs/dbraw/zinc/77/19/24/1030771924.db2.gz ZMCBGQVLTGXBTE-HXUWFJFHSA-N 1 3 361.555 2.785 20 0 FFADHO CCSc1ccccc1C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001276413388 1030771941 /nfs/dbraw/zinc/77/19/41/1030771941.db2.gz ZMCBGQVLTGXBTE-HXUWFJFHSA-N 1 3 361.555 2.785 20 0 FFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(Cc1ccc[nH]1)CC2 ZINC001204005358 1031032135 /nfs/dbraw/zinc/03/21/35/1031032135.db2.gz FWYCMEZOWNCJLS-FQEVSTJZSA-N 1 3 354.498 2.913 20 0 FFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1ccc[nH]1)CC2 ZINC001204005358 1031032148 /nfs/dbraw/zinc/03/21/48/1031032148.db2.gz FWYCMEZOWNCJLS-FQEVSTJZSA-N 1 3 354.498 2.913 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843386579 1031368270 /nfs/dbraw/zinc/36/82/70/1031368270.db2.gz KBMFXRHYLSPQPS-GBESFXJTSA-N 1 3 370.541 2.935 20 0 FFADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176883 1031682638 /nfs/dbraw/zinc/68/26/38/1031682638.db2.gz DWWZMSWPJFDCJS-IBGZPJMESA-N 1 3 357.542 2.850 20 0 FFADHO C[C@@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001205386162 1031700927 /nfs/dbraw/zinc/70/09/27/1031700927.db2.gz YWXXZAAEIYUEGI-HZPDHXFCSA-N 1 3 354.560 2.586 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CCCF)C2)CCC1 ZINC001205414951 1031724520 /nfs/dbraw/zinc/72/45/20/1031724520.db2.gz CGQLUDCSOQADJS-ZWKOTPCHSA-N 1 3 365.468 2.554 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3conc3C)CCCCC2)CC[N@@H+]1C ZINC001115544911 1031823164 /nfs/dbraw/zinc/82/31/64/1031823164.db2.gz HQQIEOVWJJIZNH-ZWKOTPCHSA-N 1 3 362.518 2.622 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3conc3C)CCCCC2)CC[N@H+]1C ZINC001115544911 1031823180 /nfs/dbraw/zinc/82/31/80/1031823180.db2.gz HQQIEOVWJJIZNH-ZWKOTPCHSA-N 1 3 362.518 2.622 20 0 FFADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001218709743 1033294645 /nfs/dbraw/zinc/29/46/45/1033294645.db2.gz ABJFDQOFTZTHPJ-OXQOHEQNSA-N 1 3 354.454 2.650 20 0 FFADHO CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218808057 1033349777 /nfs/dbraw/zinc/34/97/77/1033349777.db2.gz CTZIBQMRRYHLHL-MNEFBYGVSA-N 1 3 374.529 2.586 20 0 FFADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC001218840952 1033369830 /nfs/dbraw/zinc/36/98/30/1033369830.db2.gz VGHLROQQMVHCBS-CYBMUJFWSA-N 1 3 358.408 2.700 20 0 FFADHO COc1cc2c(cc1NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)oc1ccccc12 ZINC001218964194 1033431658 /nfs/dbraw/zinc/43/16/58/1033431658.db2.gz QPNGXJLGBQVBTL-LRTDBIEQSA-N 1 3 365.433 2.732 20 0 FFADHO N[C@]1(C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)CCc2cc(F)ccc2C1 ZINC001218973112 1033434505 /nfs/dbraw/zinc/43/45/05/1033434505.db2.gz WBKTVNQICRAIAF-OAQYLSRUSA-N 1 3 353.441 2.989 20 0 FFADHO N[C@@H](CCOCc1ccccc1)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218998020 1033448134 /nfs/dbraw/zinc/44/81/34/1033448134.db2.gz XUMPHAXKRNUUMM-ICSRJNTNSA-N 1 3 353.466 2.636 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCC3=CCCCC3)C[C@@H]21 ZINC001219004986 1033455119 /nfs/dbraw/zinc/45/51/19/1033455119.db2.gz YWFHXQHTGLXAAC-VQTJNVASSA-N 1 3 363.546 2.520 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCC3=CCCCC3)C[C@@H]21 ZINC001219004986 1033455127 /nfs/dbraw/zinc/45/51/27/1033455127.db2.gz YWFHXQHTGLXAAC-VQTJNVASSA-N 1 3 363.546 2.520 20 0 FFADHO CCCCCCN1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219064126 1033501056 /nfs/dbraw/zinc/50/10/56/1033501056.db2.gz OIJNFSGAZGSACP-VQTJNVASSA-N 1 3 365.562 2.744 20 0 FFADHO CC(C)CCCN1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067418 1033503767 /nfs/dbraw/zinc/50/37/67/1033503767.db2.gz QVDIXHHVPYWZKI-VQTJNVASSA-N 1 3 365.562 2.600 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(Cl)c2nsnc21 ZINC001219166451 1033540140 /nfs/dbraw/zinc/54/01/40/1033540140.db2.gz VIMZFPKAXBRDTI-NSHDSACASA-N 1 3 355.895 2.779 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(C/C=C/c3ccccc3)[C@H]2C1 ZINC001223838986 1033609264 /nfs/dbraw/zinc/60/92/64/1033609264.db2.gz OKYYHVRZQUVOFF-UJTGBVKHSA-N 1 3 355.526 2.964 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(C/C=C/c3ccccc3)[C@H]2C1 ZINC001223838986 1033609271 /nfs/dbraw/zinc/60/92/71/1033609271.db2.gz OKYYHVRZQUVOFF-UJTGBVKHSA-N 1 3 355.526 2.964 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2c1NC(=O)CC2(C)C ZINC001219367038 1033620056 /nfs/dbraw/zinc/62/00/56/1033620056.db2.gz HEZXGPCVZJSKDZ-HNNXBMFYSA-N 1 3 360.502 2.741 20 0 FFADHO Cc1cc(Oc2ccn3ccnc3c2)ccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219469541 1033659849 /nfs/dbraw/zinc/65/98/49/1033659849.db2.gz GMRPTOXXPYRIDY-KRWDZBQOSA-N 1 3 367.453 2.830 20 0 FFADHO N[C@@H](CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001219611362 1033713971 /nfs/dbraw/zinc/71/39/71/1033713971.db2.gz YIAZJXXHLGIKCP-WCQYABFASA-N 1 3 369.309 2.506 20 0 FFADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001219649604 1033733124 /nfs/dbraw/zinc/73/31/24/1033733124.db2.gz KBSMCYJWUXKTOL-CGTJXYLNSA-N 1 3 363.933 2.914 20 0 FFADHO C[NH2+]C1CCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001219669110 1033741114 /nfs/dbraw/zinc/74/11/14/1033741114.db2.gz LOUOOWLBNNLMDS-UHFFFAOYSA-N 1 3 357.542 2.836 20 0 FFADHO CC1(C)CN(C2(CNC(=O)NCCCCCC[NH3+])CCCCC2)CCO1 ZINC000831127617 1033958812 /nfs/dbraw/zinc/95/88/12/1033958812.db2.gz VEBOZEBYWJMISX-UHFFFAOYSA-N 1 3 368.566 2.618 20 0 FFADHO CCOc1ccc(CN2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c(C)c1 ZINC001138433543 1034269902 /nfs/dbraw/zinc/26/99/02/1034269902.db2.gz PQTAITXNXTUXSN-TZIWHRDSSA-N 1 3 362.514 2.563 20 0 FFADHO CCOc1ccc(CN2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c(C)c1 ZINC001138433543 1034269912 /nfs/dbraw/zinc/26/99/12/1034269912.db2.gz PQTAITXNXTUXSN-TZIWHRDSSA-N 1 3 362.514 2.563 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccsc1 ZINC001220611956 1034287680 /nfs/dbraw/zinc/28/76/80/1034287680.db2.gz XTMDDIQRZGUBJP-RDJZCZTQSA-N 1 3 352.548 2.772 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccsc1 ZINC001220611956 1034287685 /nfs/dbraw/zinc/28/76/85/1034287685.db2.gz XTMDDIQRZGUBJP-RDJZCZTQSA-N 1 3 352.548 2.772 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCN1C ZINC001220883689 1034440439 /nfs/dbraw/zinc/44/04/39/1034440439.db2.gz WIKQBXLEDDIVGJ-UWVAXJGDSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCN1C ZINC001220883689 1034440446 /nfs/dbraw/zinc/44/04/46/1034440446.db2.gz WIKQBXLEDDIVGJ-UWVAXJGDSA-N 1 3 358.530 2.810 20 0 FFADHO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CN2)CC1 ZINC001220982379 1034490482 /nfs/dbraw/zinc/49/04/82/1034490482.db2.gz DBFWYUIGNGDCHW-DZGCQCFKSA-N 1 3 373.394 2.533 20 0 FFADHO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H](F)CCN2)CC1 ZINC001221002335 1034496245 /nfs/dbraw/zinc/49/62/45/1034496245.db2.gz OKSADQGHFNTQSI-OVWQWFNUSA-N 1 3 351.441 2.514 20 0 FFADHO CCn1nc(C)c(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1C ZINC001138642764 1034496611 /nfs/dbraw/zinc/49/66/11/1034496611.db2.gz AIOAOGWQNMNRFJ-UHFFFAOYSA-N 1 3 370.545 2.761 20 0 FFADHO O=C(C[C@@H]1Cc2ccccc2CN1)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221128091 1034568247 /nfs/dbraw/zinc/56/82/47/1034568247.db2.gz JQTTXIILZGWBRA-FQEVSTJZSA-N 1 3 355.526 2.767 20 0 FFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1)C1CC1 ZINC001226791785 1034842288 /nfs/dbraw/zinc/84/22/88/1034842288.db2.gz MGIAYUFHXPWUHR-GUDVDZBRSA-N 1 3 365.468 2.822 20 0 FFADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800904 1034846137 /nfs/dbraw/zinc/84/61/37/1034846137.db2.gz PUSRQTPSOPABRU-KURKYZTESA-N 1 3 364.559 2.617 20 0 FFADHO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226932369 1034887559 /nfs/dbraw/zinc/88/75/59/1034887559.db2.gz JPFQGYPTPMITLM-INMHGKMJSA-N 1 3 352.548 2.555 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001226941879 1034889583 /nfs/dbraw/zinc/88/95/83/1034889583.db2.gz JXCKMGNJDUYCCI-AQNXPRMDSA-N 1 3 361.530 2.798 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1)N(C)C ZINC001227039335 1034918174 /nfs/dbraw/zinc/91/81/74/1034918174.db2.gz WFUNVVYWZARJRN-VAMGGRTRSA-N 1 3 361.530 2.813 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(OC)c1)N(C)C ZINC001227056185 1034922416 /nfs/dbraw/zinc/92/24/16/1034922416.db2.gz APMSSQIHSKERAM-GUDVDZBRSA-N 1 3 361.530 2.861 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001227056699 1034922461 /nfs/dbraw/zinc/92/24/61/1034922461.db2.gz IZDNPOGRSYCKBE-VAMGGRTRSA-N 1 3 359.514 2.574 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC001227150366 1034951358 /nfs/dbraw/zinc/95/13/58/1034951358.db2.gz PAWISRYLIOAZML-RTBURBONSA-N 1 3 361.530 2.813 20 0 FFADHO CCO[C@H](C)COc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227163195 1034956844 /nfs/dbraw/zinc/95/68/44/1034956844.db2.gz BJGABVNAQGOGPU-MRXNPFEDSA-N 1 3 351.535 2.675 20 0 FFADHO C[C@H](c1ccc2c(c1)CCC2)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791247 1035072955 /nfs/dbraw/zinc/07/29/55/1035072955.db2.gz CQOAZPYVUNWNFY-MAODMQOUSA-N 1 3 355.526 2.721 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2cnc(Cl)s2)CC1 ZINC001228224164 1036000994 /nfs/dbraw/zinc/00/09/94/1036000994.db2.gz GBSGTXCXIWELTL-ZIAGYGMSSA-N 1 3 370.950 2.655 20 0 FFADHO Cc1nsc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239383 1036006671 /nfs/dbraw/zinc/00/66/71/1036006671.db2.gz RGMGRRLKKIIDOL-IAGOWNOFSA-N 1 3 364.559 2.619 20 0 FFADHO CC[N@H+](CCCN(C)C)Cc1ccc(OCCOC)c(OCCOC)c1 ZINC001233088408 1036337854 /nfs/dbraw/zinc/33/78/54/1036337854.db2.gz ISAWUVVOJKQBCR-UHFFFAOYSA-N 1 3 368.518 2.511 20 0 FFADHO CC[N@@H+](CCCN(C)C)Cc1ccc(OCCOC)c(OCCOC)c1 ZINC001233088408 1036337869 /nfs/dbraw/zinc/33/78/69/1036337869.db2.gz ISAWUVVOJKQBCR-UHFFFAOYSA-N 1 3 368.518 2.511 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)c1ccccc1 ZINC001229868971 1036946971 /nfs/dbraw/zinc/94/69/71/1036946971.db2.gz RVSPLPRFCYNBAH-VAMGGRTRSA-N 1 3 361.530 2.733 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C)c1ccccc1 ZINC001230284785 1037195388 /nfs/dbraw/zinc/19/53/88/1037195388.db2.gz VBUKTZSZNIMGTC-VAMGGRTRSA-N 1 3 361.530 2.731 20 0 FFADHO CC(C)(CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCOCC1 ZINC001207308103 1037334511 /nfs/dbraw/zinc/33/45/11/1037334511.db2.gz RYVMQZSYCFYMNE-FGZHOGPDSA-N 1 3 371.569 2.941 20 0 FFADHO CC(C)(CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCOCC1 ZINC001207308103 1037334531 /nfs/dbraw/zinc/33/45/31/1037334531.db2.gz RYVMQZSYCFYMNE-FGZHOGPDSA-N 1 3 371.569 2.941 20 0 FFADHO O=C(OCCN1CCC2(CC1)C[NH2+]Cc1ccccc12)c1ccccc1 ZINC001235085673 1037353352 /nfs/dbraw/zinc/35/33/52/1037353352.db2.gz CUTNKUWMBLWGCB-UHFFFAOYSA-N 1 3 350.462 2.980 20 0 FFADHO CC1=CC[C@H](CCN2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)C1(C)C ZINC001235203980 1037409152 /nfs/dbraw/zinc/40/91/52/1037409152.db2.gz ATNSKONQJGAHSZ-GOSISDBHSA-N 1 3 360.546 2.843 20 0 FFADHO CN(Cc1cnc2cc(Br)ccn12)CC1CC[NH+](C)CC1 ZINC001235287423 1037453814 /nfs/dbraw/zinc/45/38/14/1037453814.db2.gz CGAUVQZQTINZEY-UHFFFAOYSA-N 1 3 351.292 2.870 20 0 FFADHO CCOC(=O)c1ccc(N2CCN(CCC3CC[NH+](C)CC3)CC2)cc1 ZINC001207487467 1037486598 /nfs/dbraw/zinc/48/65/98/1037486598.db2.gz KCWAZTZHRBIABC-UHFFFAOYSA-N 1 3 359.514 2.717 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCCc1ccccc1F)CC2 ZINC001207491156 1037489083 /nfs/dbraw/zinc/48/90/83/1037489083.db2.gz KXBXVARXFTWMEL-UHFFFAOYSA-N 1 3 371.500 2.582 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCCc1ccccc1F)CC2 ZINC001207491156 1037489090 /nfs/dbraw/zinc/48/90/90/1037489090.db2.gz KXBXVARXFTWMEL-UHFFFAOYSA-N 1 3 371.500 2.582 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3c(F)cc(C)cc3F)C[C@@H]1CC[NH2+]CC2 ZINC001235350913 1037497233 /nfs/dbraw/zinc/49/72/33/1037497233.db2.gz ASCSDKWDZSPDSM-LIRRHRJNSA-N 1 3 352.425 2.638 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540977 1037532374 /nfs/dbraw/zinc/53/23/74/1037532374.db2.gz NUEIVJGMUGEBNJ-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540977 1037532382 /nfs/dbraw/zinc/53/23/82/1037532382.db2.gz NUEIVJGMUGEBNJ-RLLQIKCJSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)cc1 ZINC001235482485 1037579590 /nfs/dbraw/zinc/57/95/90/1037579590.db2.gz BISFMGOXTZZRTO-QHAWAJNXSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2)cc1 ZINC001235482485 1037579600 /nfs/dbraw/zinc/57/96/00/1037579600.db2.gz BISFMGOXTZZRTO-QHAWAJNXSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CCN(Cc3cccc(N4CC[NH2+]CC4)c3)CC2)cc1 ZINC001235693182 1037687542 /nfs/dbraw/zinc/68/75/42/1037687542.db2.gz VBZDQZCQLAMDNA-UHFFFAOYSA-N 1 3 364.537 2.722 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCCOc2ccccc2)C[C@H]1C ZINC001207750748 1037694107 /nfs/dbraw/zinc/69/41/07/1037694107.db2.gz WSGXVPPIRUDKFC-IEBWSBKVSA-N 1 3 361.530 2.622 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCCOc2ccccc2)C[C@H]1C ZINC001207750748 1037694112 /nfs/dbraw/zinc/69/41/12/1037694112.db2.gz WSGXVPPIRUDKFC-IEBWSBKVSA-N 1 3 361.530 2.622 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1C ZINC001207750748 1037694118 /nfs/dbraw/zinc/69/41/18/1037694118.db2.gz WSGXVPPIRUDKFC-IEBWSBKVSA-N 1 3 361.530 2.622 20 0 FFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1C ZINC001207750748 1037694125 /nfs/dbraw/zinc/69/41/25/1037694125.db2.gz WSGXVPPIRUDKFC-IEBWSBKVSA-N 1 3 361.530 2.622 20 0 FFADHO c1ccc(COC[C@@H]2CCN2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235714957 1037706386 /nfs/dbraw/zinc/70/63/86/1037706386.db2.gz NGVOMTWLVMTZKX-QHCPKHFHSA-N 1 3 365.521 2.883 20 0 FFADHO Cc1cc(N2CCN(CCC3CN(C(=O)OC(C)(C)C)C3)CC2)cc[nH+]1 ZINC001207772777 1037712410 /nfs/dbraw/zinc/71/24/10/1037712410.db2.gz VMFVGGLILAMPMM-UHFFFAOYSA-N 1 3 360.502 2.769 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207796345 1037736004 /nfs/dbraw/zinc/73/60/04/1037736004.db2.gz STSUFFJXEPBBAD-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001207796345 1037736017 /nfs/dbraw/zinc/73/60/17/1037736017.db2.gz STSUFFJXEPBBAD-AQNXPRMDSA-N 1 3 367.578 2.606 20 0 FFADHO Fc1c(CN2CCCCC2)cccc1-c1nccnc1N1CC[NH2+]CC1 ZINC001236001775 1037883006 /nfs/dbraw/zinc/88/30/06/1037883006.db2.gz BWTVCPCXYVECSB-UHFFFAOYSA-N 1 3 355.461 2.678 20 0 FFADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3c(Cl)cccc3Cl)C[C@H]1C2 ZINC001236020927 1037889442 /nfs/dbraw/zinc/88/94/42/1037889442.db2.gz AEYSGYIDHIRNSH-YVVSIOMPSA-N 1 3 369.292 2.824 20 0 FFADHO Cc1cc(CN2CCC[C@H](N3CC(C[NH3+])C3)C2)cc(OC(F)(F)F)c1 ZINC001236078225 1037919418 /nfs/dbraw/zinc/91/94/18/1037919418.db2.gz GSJUSCZDIVUVGI-INIZCTEOSA-N 1 3 357.420 2.749 20 0 FFADHO COc1cc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc2c1NC(C)(C)C=C2 ZINC001236078467 1037920134 /nfs/dbraw/zinc/92/01/34/1037920134.db2.gz HBNZMVRWCUWKRX-SFHVURJKSA-N 1 3 356.514 2.520 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001236183791 1037972453 /nfs/dbraw/zinc/97/24/53/1037972453.db2.gz JBEVDJYMOFSVJH-RSPOEFSDSA-N 1 3 363.496 2.931 20 0 FFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001236183791 1037972465 /nfs/dbraw/zinc/97/24/65/1037972465.db2.gz JBEVDJYMOFSVJH-RSPOEFSDSA-N 1 3 363.496 2.931 20 0 FFADHO CSCCN(C)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001236274163 1038013676 /nfs/dbraw/zinc/01/36/76/1038013676.db2.gz COJHQZALJGAORM-UHFFFAOYSA-N 1 3 358.349 2.654 20 0 FFADHO COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1[O-] ZINC001236320731 1038041891 /nfs/dbraw/zinc/04/18/91/1038041891.db2.gz COYRJXIJNMJUIY-TXEJJXNPSA-N 1 3 355.276 2.595 20 0 FFADHO COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1[O-] ZINC001236320731 1038041909 /nfs/dbraw/zinc/04/19/09/1038041909.db2.gz COYRJXIJNMJUIY-TXEJJXNPSA-N 1 3 355.276 2.595 20 0 FFADHO COc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1O ZINC001236320731 1038041927 /nfs/dbraw/zinc/04/19/27/1038041927.db2.gz COYRJXIJNMJUIY-TXEJJXNPSA-N 1 3 355.276 2.595 20 0 FFADHO C[NH+]1CCC(C)(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)CC1 ZINC001208109692 1038042985 /nfs/dbraw/zinc/04/29/85/1038042985.db2.gz ONKMMKQGHLOSEO-SLFFLAALSA-N 1 3 359.514 2.562 20 0 FFADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001255941909 1038266585 /nfs/dbraw/zinc/26/65/85/1038266585.db2.gz ZFVQHURABLALQI-TVFCKZIOSA-N 1 3 369.550 2.721 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 ZINC001255941909 1038266597 /nfs/dbraw/zinc/26/65/97/1038266597.db2.gz ZFVQHURABLALQI-TVFCKZIOSA-N 1 3 369.550 2.721 20 0 FFADHO CC[NH+](CC)CC[C@H](C)N1C[C@H]2CCN(C(=O)c3cscn3)C[C@@H]2C1 ZINC001255962419 1038275722 /nfs/dbraw/zinc/27/57/22/1038275722.db2.gz VFXUNDJDNNPUPV-GVDBMIGSSA-N 1 3 364.559 2.657 20 0 FFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001255962419 1038275730 /nfs/dbraw/zinc/27/57/30/1038275730.db2.gz VFXUNDJDNNPUPV-GVDBMIGSSA-N 1 3 364.559 2.657 20 0 FFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001255962419 1038275734 /nfs/dbraw/zinc/27/57/34/1038275734.db2.gz VFXUNDJDNNPUPV-GVDBMIGSSA-N 1 3 364.559 2.657 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@@H+](C3CCN(C4CC4)CC3)[C@@H](C)C2)cc1 ZINC001256080034 1038367866 /nfs/dbraw/zinc/36/78/66/1038367866.db2.gz QXOZMUVFAWNFQZ-KRWDZBQOSA-N 1 3 371.525 2.606 20 0 FFADHO COC(=O)c1ccc(CN2CC[N@H+](C3CCN(C4CC4)CC3)[C@@H](C)C2)cc1 ZINC001256080034 1038367877 /nfs/dbraw/zinc/36/78/77/1038367877.db2.gz QXOZMUVFAWNFQZ-KRWDZBQOSA-N 1 3 371.525 2.606 20 0 FFADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C1 ZINC001208612930 1038448078 /nfs/dbraw/zinc/44/80/78/1038448078.db2.gz JVDHNULPHPBWQM-FUHIMQAGSA-N 1 3 363.477 2.565 20 0 FFADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C1 ZINC001208612930 1038448082 /nfs/dbraw/zinc/44/80/82/1038448082.db2.gz JVDHNULPHPBWQM-FUHIMQAGSA-N 1 3 363.477 2.565 20 0 FFADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208619709 1038451589 /nfs/dbraw/zinc/45/15/89/1038451589.db2.gz JHQRLLSOQUYPHZ-IUDFFTLZSA-N 1 3 353.526 2.992 20 0 FFADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208619709 1038451593 /nfs/dbraw/zinc/45/15/93/1038451593.db2.gz JHQRLLSOQUYPHZ-IUDFFTLZSA-N 1 3 353.526 2.992 20 0 FFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc4scnc4c3)CC2)C1=O ZINC001276581203 1038510181 /nfs/dbraw/zinc/51/01/81/1038510181.db2.gz SROIGBVVFVCZRI-UHFFFAOYSA-N 1 3 372.538 2.672 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536482 1038550403 /nfs/dbraw/zinc/55/04/03/1038550403.db2.gz HXYWGGOSQNDYRV-JFHUYLGKSA-N 1 3 374.525 2.722 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256536482 1038550407 /nfs/dbraw/zinc/55/04/07/1038550407.db2.gz HXYWGGOSQNDYRV-JFHUYLGKSA-N 1 3 374.525 2.722 20 0 FFADHO Oc1ccc(CN2CCC([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256680950 1038600499 /nfs/dbraw/zinc/60/04/99/1038600499.db2.gz GBZKIZMVIPDOFZ-UHFFFAOYSA-N 1 3 373.541 2.590 20 0 FFADHO Cc1cccc(N(C2CC[NH2+]CC2)C2CCC(N3CCOCC3)CC2)n1 ZINC001256697125 1038606240 /nfs/dbraw/zinc/60/62/40/1038606240.db2.gz VNNGVBUCJRZHHC-UHFFFAOYSA-N 1 3 358.530 2.592 20 0 FFADHO COc1ccccc1N1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855007 1038635356 /nfs/dbraw/zinc/63/53/56/1038635356.db2.gz CZOPQDVNOWFMRG-UHFFFAOYSA-N 1 3 352.482 2.881 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C2CCC(CC(=O)OC)CC2)CC1 ZINC001256987782 1038671783 /nfs/dbraw/zinc/67/17/83/1038671783.db2.gz VZZFCDOWUJSBNQ-FAFZWHIHSA-N 1 3 352.519 2.684 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C2CCC(CC(=O)OC)CC2)CC1 ZINC001256987782 1038671788 /nfs/dbraw/zinc/67/17/88/1038671788.db2.gz VZZFCDOWUJSBNQ-FAFZWHIHSA-N 1 3 352.519 2.684 20 0 FFADHO C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(CCN3CCOCC3)C[C@@H]21 ZINC001209289414 1038743697 /nfs/dbraw/zinc/74/36/97/1038743697.db2.gz BOTZSJSHWAHTHB-YZGWKJHDSA-N 1 3 363.571 2.613 20 0 FFADHO C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(CCN3CCOCC3)C[C@@H]21 ZINC001209289414 1038743700 /nfs/dbraw/zinc/74/37/00/1038743700.db2.gz BOTZSJSHWAHTHB-YZGWKJHDSA-N 1 3 363.571 2.613 20 0 FFADHO CC(C)[NH+]1CCC(N[C@H]2CC[C@H]3[C@H]2OCCN3C(=O)OC(C)(C)C)CC1 ZINC001257201511 1038743813 /nfs/dbraw/zinc/74/38/13/1038743813.db2.gz DMSOISNSBDTDBN-BZSNNMDCSA-N 1 3 367.534 2.616 20 0 FFADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3c(C)[nH]c4ncccc34)CC2)C1 ZINC001209595855 1039033183 /nfs/dbraw/zinc/03/31/83/1039033183.db2.gz QGYDEXFSRWMRBO-MRXNPFEDSA-N 1 3 370.497 2.721 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCCN(Cc3cccc(CN4CCOCC4)c3)C2)C1 ZINC001279065284 1039096059 /nfs/dbraw/zinc/09/60/59/1039096059.db2.gz REWDOEDSGFILSO-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO C[N@H+]1CCC[C@]2(CCCN(Cc3cccc(CN4CCOCC4)c3)C2)C1 ZINC001279065284 1039096076 /nfs/dbraw/zinc/09/60/76/1039096076.db2.gz REWDOEDSGFILSO-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN1CCC[C@]2(CCC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)C1 ZINC001279065284 1039096094 /nfs/dbraw/zinc/09/60/94/1039096094.db2.gz REWDOEDSGFILSO-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO CN1CCC[C@]2(CCC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)C1 ZINC001279065284 1039096104 /nfs/dbraw/zinc/09/61/04/1039096104.db2.gz REWDOEDSGFILSO-QFIPXVFZSA-N 1 3 357.542 2.827 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001245980367 1039174566 /nfs/dbraw/zinc/17/45/66/1039174566.db2.gz CVFOUJWRMLQKLN-HZSPNIEDSA-N 1 3 361.313 2.706 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584123 1039190452 /nfs/dbraw/zinc/19/04/52/1039190452.db2.gz SLAVUDDWFJRQNW-SOUVJXGZSA-N 1 3 370.431 2.603 20 0 FFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584123 1039190459 /nfs/dbraw/zinc/19/04/59/1039190459.db2.gz SLAVUDDWFJRQNW-SOUVJXGZSA-N 1 3 370.431 2.603 20 0 FFADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584123 1039190465 /nfs/dbraw/zinc/19/04/65/1039190465.db2.gz SLAVUDDWFJRQNW-SOUVJXGZSA-N 1 3 370.431 2.603 20 0 FFADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1C[C@@H](O)COCC(F)(F)C(F)F ZINC001251584123 1039190469 /nfs/dbraw/zinc/19/04/69/1039190469.db2.gz SLAVUDDWFJRQNW-SOUVJXGZSA-N 1 3 370.431 2.603 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)CN1CCCC[C@](C)(C[NH3+])C1 ZINC001246023955 1039196572 /nfs/dbraw/zinc/19/65/72/1039196572.db2.gz SUPDAQBXIHDHGX-FXAWDEMLSA-N 1 3 350.503 2.664 20 0 FFADHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC001258135441 1039214007 /nfs/dbraw/zinc/21/40/07/1039214007.db2.gz HVLMDXVNAFVADY-UHFFFAOYSA-N 1 3 357.542 2.980 20 0 FFADHO C[NH2+]CCCN[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246114579 1039245860 /nfs/dbraw/zinc/24/58/60/1039245860.db2.gz QBVMDFUVSYRZFT-OAGGEKHMSA-N 1 3 370.534 2.654 20 0 FFADHO C[NH2+]CCCN[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001246114582 1039246654 /nfs/dbraw/zinc/24/66/54/1039246654.db2.gz QBVMDFUVSYRZFT-PMPSAXMXSA-N 1 3 370.534 2.654 20 0 FFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+][C@H]3CNCC34CC4)CC[C@H]2C1 ZINC001246127117 1039250348 /nfs/dbraw/zinc/25/03/48/1039250348.db2.gz AMIVJYZGUULNLQ-MUGJNUQGSA-N 1 3 353.510 2.659 20 0 FFADHO O=C1CCC2(CCC([NH2+]C3CCNCC3)CC2)N1Cc1cccc(F)c1 ZINC001246154273 1039259521 /nfs/dbraw/zinc/25/95/21/1039259521.db2.gz AYNHHMZXDAUYNG-UHFFFAOYSA-N 1 3 359.489 2.971 20 0 FFADHO O[C@@]1(C[NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCCNC1 ZINC001246226317 1039283283 /nfs/dbraw/zinc/28/32/83/1039283283.db2.gz FYTYMOIJSVQCAZ-GGAORHGYSA-N 1 3 366.505 2.827 20 0 FFADHO O[C@@H](CN[C@@H]1CCCC[NH2+]C1)CN(Cc1ccccc1)Cc1ccccc1 ZINC001246288603 1039300852 /nfs/dbraw/zinc/30/08/52/1039300852.db2.gz BLDNYLMDCVFALS-PKTZIBPZSA-N 1 3 367.537 2.781 20 0 FFADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3ccc(OC)cc3)CCNCC2)C1 ZINC001246381420 1039330428 /nfs/dbraw/zinc/33/04/28/1039330428.db2.gz QQLDYPDIRWGVCK-FUHWJXTLSA-N 1 3 360.498 2.985 20 0 FFADHO COc1ccc(C2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246380709 1039330498 /nfs/dbraw/zinc/33/04/98/1039330498.db2.gz MDULCIRKVYJZJO-GDBMZVCRSA-N 1 3 357.420 2.546 20 0 FFADHO Cc1cc(F)ccc1[C@H]1C[C@@H](NCC[C@H](N)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246388279 1039333738 /nfs/dbraw/zinc/33/37/38/1039333738.db2.gz FYLFITIHTKFIQV-RYQLBKOJSA-N 1 3 365.493 2.576 20 0 FFADHO O=C(c1cccs1)N1CCC[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246707333 1039443070 /nfs/dbraw/zinc/44/30/70/1039443070.db2.gz GGGQJRIPITXOGA-YLPFRIKTSA-N 1 3 359.539 2.959 20 0 FFADHO CC(C)(C)[C@@H]1C[C@H](N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CC[NH2+]1 ZINC001246725833 1039452540 /nfs/dbraw/zinc/45/25/40/1039452540.db2.gz RTRDNSNXLDBWRC-JGLNRKDHSA-N 1 3 359.514 2.859 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738719 1039455717 /nfs/dbraw/zinc/45/57/17/1039455717.db2.gz CHDMKWYFGPNOBJ-MBOZVWFJSA-N 1 3 370.541 2.843 20 0 FFADHO CNC(=O)N[C@@H]1CC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c2ccc(C)cc21 ZINC001246738719 1039455725 /nfs/dbraw/zinc/45/57/25/1039455725.db2.gz CHDMKWYFGPNOBJ-MBOZVWFJSA-N 1 3 370.541 2.843 20 0 FFADHO CCC[NH+]1CCC(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001258773351 1039506635 /nfs/dbraw/zinc/50/66/35/1039506635.db2.gz HBEDHWJFJPCMSS-FPOVZHCZSA-N 1 3 361.505 2.837 20 0 FFADHO c1ccc2cc(CN3CCN([C@@H]4CSC5(C[NH2+]C5)C4)CC3)ccc2c1 ZINC001246876244 1039515914 /nfs/dbraw/zinc/51/59/14/1039515914.db2.gz RGPUXXPVBGJEOM-FQEVSTJZSA-N 1 3 353.535 2.805 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(OC)ccc1S(C)(=O)=O ZINC001258906213 1039573891 /nfs/dbraw/zinc/57/38/91/1039573891.db2.gz ACOHQFDNYZXNKU-OAHLLOKOSA-N 1 3 356.532 2.699 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001210497734 1039582423 /nfs/dbraw/zinc/58/24/23/1039582423.db2.gz IMWCHCQNKLYYMY-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001210497734 1039582441 /nfs/dbraw/zinc/58/24/41/1039582441.db2.gz IMWCHCQNKLYYMY-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO CCCCOC[C@@H](O)CNC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001252533408 1039585463 /nfs/dbraw/zinc/58/54/63/1039585463.db2.gz YBKYXQKEILGBAK-FQEVSTJZSA-N 1 3 373.541 2.942 20 0 FFADHO CCCCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001252536821 1039589589 /nfs/dbraw/zinc/58/95/89/1039589589.db2.gz ZEGGWXICQZEHMS-LJQANCHMSA-N 1 3 352.494 2.805 20 0 FFADHO CC(C)OC[C@H](O)C[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001252697736 1039651443 /nfs/dbraw/zinc/65/14/43/1039651443.db2.gz ALIFSFQBPWIZBF-LJQANCHMSA-N 1 3 354.922 2.928 20 0 FFADHO CCCC[C@H](CC)COC[C@H](O)CNC1CC[NH+](CCCOC)CC1 ZINC001253022430 1039926263 /nfs/dbraw/zinc/92/62/63/1039926263.db2.gz OQJLGTJREAMDGS-AZUAARDMSA-N 1 3 358.567 2.671 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cnc(C)nc3)C[C@H]2CC1 ZINC001278494086 1039985066 /nfs/dbraw/zinc/98/50/66/1039985066.db2.gz NSXFIMGLWFIJFX-HDICACEKSA-N 1 3 357.527 2.894 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cnc(C)nc3)C[C@H]2CC1 ZINC001278494086 1039985077 /nfs/dbraw/zinc/98/50/77/1039985077.db2.gz NSXFIMGLWFIJFX-HDICACEKSA-N 1 3 357.527 2.894 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC001253207445 1040045003 /nfs/dbraw/zinc/04/50/03/1040045003.db2.gz HUNSZTNBTIIBIO-GOSISDBHSA-N 1 3 353.938 2.597 20 0 FFADHO CCN(CC)C[C@H](O)C[NH2+][C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC001253208475 1040045186 /nfs/dbraw/zinc/04/51/86/1040045186.db2.gz RHIYVRGSNRZDEH-WIYYLYMNSA-N 1 3 356.510 2.603 20 0 FFADHO CCN(CC)C[C@@H](O)C[NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC001253211256 1040048544 /nfs/dbraw/zinc/04/85/44/1040048544.db2.gz VECYRBKYFWNNJH-INIZCTEOSA-N 1 3 357.539 2.506 20 0 FFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001211349730 1040095812 /nfs/dbraw/zinc/09/58/12/1040095812.db2.gz JRCBSOHPZKREMN-YLJYHZDGSA-N 1 3 361.505 2.681 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCC1 ZINC001211366600 1040109101 /nfs/dbraw/zinc/10/91/01/1040109101.db2.gz FTJAWVGYWWOTMV-KBAYOESNSA-N 1 3 371.516 2.979 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N1CCCCC1 ZINC001211366600 1040109105 /nfs/dbraw/zinc/10/91/05/1040109105.db2.gz FTJAWVGYWWOTMV-KBAYOESNSA-N 1 3 371.516 2.979 20 0 FFADHO CCN(CC)CCC[NH2+]C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253413478 1040161050 /nfs/dbraw/zinc/16/10/50/1040161050.db2.gz KEUFEVNJWPDLOE-IBGZPJMESA-N 1 3 364.530 2.823 20 0 FFADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001253426595 1040173027 /nfs/dbraw/zinc/17/30/27/1040173027.db2.gz KPIAZGOPQVRZLN-DENIHFKCSA-N 1 3 374.525 2.529 20 0 FFADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COC(=O)c3ccc(C(C)(C)C)cc3)C2)C1 ZINC001253426595 1040173031 /nfs/dbraw/zinc/17/30/31/1040173031.db2.gz KPIAZGOPQVRZLN-DENIHFKCSA-N 1 3 374.525 2.529 20 0 FFADHO C[NH+](C)CCC(C)(C)NC[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253432862 1040178682 /nfs/dbraw/zinc/17/86/82/1040178682.db2.gz BZPSRPPVNQUHFW-SFHVURJKSA-N 1 3 364.530 2.822 20 0 FFADHO CC[NH+]1CCC(CC2CCN(C[C@H](O)C(=O)OC(C)(C)C)CC2)CC1 ZINC001253691638 1040323236 /nfs/dbraw/zinc/32/32/36/1040323236.db2.gz SCSBDDLTHAMXSE-SFHVURJKSA-N 1 3 354.535 2.523 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322913 1040450356 /nfs/dbraw/zinc/45/03/56/1040450356.db2.gz VZRJAJRAYYAMQU-ODWICZQRSA-N 1 3 365.562 2.670 20 0 FFADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322913 1040450360 /nfs/dbraw/zinc/45/03/60/1040450360.db2.gz VZRJAJRAYYAMQU-ODWICZQRSA-N 1 3 365.562 2.670 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326032 1040453949 /nfs/dbraw/zinc/45/39/49/1040453949.db2.gz SUJMJWDOXZUFFE-HSALFYBXSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326032 1040453964 /nfs/dbraw/zinc/45/39/64/1040453964.db2.gz SUJMJWDOXZUFFE-HSALFYBXSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001213326032 1040453976 /nfs/dbraw/zinc/45/39/76/1040453976.db2.gz SUJMJWDOXZUFFE-HSALFYBXSA-N 1 3 365.562 2.789 20 0 FFADHO CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001213326032 1040453982 /nfs/dbraw/zinc/45/39/82/1040453982.db2.gz SUJMJWDOXZUFFE-HSALFYBXSA-N 1 3 365.562 2.789 20 0 FFADHO COC[C@@]12CCC[C@@H]1C[N@H+](CC1(O)CCN(Cc3ccccc3)CC1)C2 ZINC001254035975 1040538891 /nfs/dbraw/zinc/53/88/91/1040538891.db2.gz PCOQSNABISMVMP-RTWAWAEBSA-N 1 3 358.526 2.762 20 0 FFADHO COC[C@@]12CCC[C@@H]1C[N@@H+](CC1(O)CCN(Cc3ccccc3)CC1)C2 ZINC001254035975 1040538904 /nfs/dbraw/zinc/53/89/04/1040538904.db2.gz PCOQSNABISMVMP-RTWAWAEBSA-N 1 3 358.526 2.762 20 0 FFADHO Oc1ccc2c(c1)CC[N@@H+](CC1(O)CCN(Cc3ccccc3)CC1)C2 ZINC001254037535 1040539281 /nfs/dbraw/zinc/53/92/81/1040539281.db2.gz WJFNLQDJVHRRJN-UHFFFAOYSA-N 1 3 352.478 2.777 20 0 FFADHO Oc1ccc2c(c1)CC[N@H+](CC1(O)CCN(Cc3ccccc3)CC1)C2 ZINC001254037535 1040539289 /nfs/dbraw/zinc/53/92/89/1040539289.db2.gz WJFNLQDJVHRRJN-UHFFFAOYSA-N 1 3 352.478 2.777 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CC2CC3(CCC3)C2)C[C@H]1OC)[NH+](CC)CC ZINC001213434607 1040549835 /nfs/dbraw/zinc/54/98/35/1040549835.db2.gz IQBJAVKHCFJWHS-GUDVDZBRSA-N 1 3 365.562 2.503 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCCC2CCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435159 1040552005 /nfs/dbraw/zinc/55/20/05/1040552005.db2.gz SGGCZQYIGJYFAV-HSALFYBXSA-N 1 3 367.578 2.893 20 0 FFADHO CC(C)(C)OC(=O)c1ccc(-c2cn(CCCC[NH2+]CCCN)nn2)cc1 ZINC001254162907 1040591848 /nfs/dbraw/zinc/59/18/48/1040591848.db2.gz JFOOJSAMTOVJIT-UHFFFAOYSA-N 1 3 373.501 2.619 20 0 FFADHO CN1CCC[C@H]([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)CC1 ZINC001254520466 1040771470 /nfs/dbraw/zinc/77/14/70/1040771470.db2.gz DQIUKSYKGLRDQP-SFNKJDCFSA-N 1 3 365.543 2.623 20 0 FFADHO CN1CCC[C@H]([N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)CC1 ZINC001254520466 1040771484 /nfs/dbraw/zinc/77/14/84/1040771484.db2.gz DQIUKSYKGLRDQP-SFNKJDCFSA-N 1 3 365.543 2.623 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@@H]3CCC[N@@H+](C)CC3)C[C@@H]12 ZINC001254520924 1040773507 /nfs/dbraw/zinc/77/35/07/1040773507.db2.gz GCKSPFFJXHTRDM-VSKRKVRLSA-N 1 3 355.526 2.735 20 0 FFADHO CC(=O)N1CC[C@]2(c3ccccc3)CCN([C@@H]3CCC[N@H+](C)CC3)C[C@@H]12 ZINC001254520924 1040773513 /nfs/dbraw/zinc/77/35/13/1040773513.db2.gz GCKSPFFJXHTRDM-VSKRKVRLSA-N 1 3 355.526 2.735 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2cc(C)ccc2C)C[C@H]1OC ZINC001213678349 1040786665 /nfs/dbraw/zinc/78/66/65/1040786665.db2.gz QTKNENWQUWPYJN-MISYRCLQSA-N 1 3 361.530 2.522 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2cc(C)ccc2C)C[C@H]1OC ZINC001213678349 1040786677 /nfs/dbraw/zinc/78/66/77/1040786677.db2.gz QTKNENWQUWPYJN-MISYRCLQSA-N 1 3 361.530 2.522 20 0 FFADHO CCCN1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@H]2C1 ZINC001254913339 1041042563 /nfs/dbraw/zinc/04/25/63/1041042563.db2.gz OUQMFHRCHPLEEC-ZRSRNVLSSA-N 1 3 363.546 2.906 20 0 FFADHO CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](OC)C1 ZINC001213921465 1041071622 /nfs/dbraw/zinc/07/16/22/1041071622.db2.gz AJSIKXQXAKPGBY-WOJBJXKFSA-N 1 3 361.530 2.758 20 0 FFADHO CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](OC)C1 ZINC001213921465 1041071643 /nfs/dbraw/zinc/07/16/43/1041071643.db2.gz AJSIKXQXAKPGBY-WOJBJXKFSA-N 1 3 361.530 2.758 20 0 FFADHO CC/C=C\CCN1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001213921918 1041075560 /nfs/dbraw/zinc/07/55/60/1041075560.db2.gz NCEOSBMVHSDCDA-KJYWSYJISA-N 1 3 359.514 2.534 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255122422 1041158184 /nfs/dbraw/zinc/15/81/84/1041158184.db2.gz PUYAXFXVDXKWSS-PIIMJCKOSA-N 1 3 368.481 2.887 20 0 FFADHO CCOC(=O)c1c(CN)ncn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122422 1041158192 /nfs/dbraw/zinc/15/81/92/1041158192.db2.gz PUYAXFXVDXKWSS-PIIMJCKOSA-N 1 3 368.481 2.887 20 0 FFADHO O=C1NC2(CO1)CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255146703 1041171086 /nfs/dbraw/zinc/17/10/86/1041171086.db2.gz IMRPHTNUXNCCED-BWTSREIZSA-N 1 3 355.482 2.756 20 0 FFADHO O=C1NC2(CO1)CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255146703 1041171089 /nfs/dbraw/zinc/17/10/89/1041171089.db2.gz IMRPHTNUXNCCED-BWTSREIZSA-N 1 3 355.482 2.756 20 0 FFADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001255351355 1041282596 /nfs/dbraw/zinc/28/25/96/1041282596.db2.gz XGHMHWBLDZXNFK-IEBWSBKVSA-N 1 3 352.519 2.589 20 0 FFADHO O[C@H](C[NH2+]C1CCN(CC2CCC2)CC1)COc1ccc(Cl)cc1 ZINC001250689538 1041303009 /nfs/dbraw/zinc/30/30/09/1041303009.db2.gz AVKJLPZEGJCWIR-GOSISDBHSA-N 1 3 352.906 2.934 20 0 FFADHO CN(C)C(=O)NC1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255410524 1041329149 /nfs/dbraw/zinc/32/91/49/1041329149.db2.gz YMVNXZHRZHNUKD-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)C(=O)NC1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255410524 1041329154 /nfs/dbraw/zinc/32/91/54/1041329154.db2.gz YMVNXZHRZHNUKD-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC001262094339 1041552439 /nfs/dbraw/zinc/55/24/39/1041552439.db2.gz GAAFFJUVKDHMDU-KXBFYZLASA-N 1 3 370.497 2.854 20 0 FFADHO CC[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccc(F)cc1F ZINC001215462964 1041792353 /nfs/dbraw/zinc/79/23/53/1041792353.db2.gz DEMMXHKFIIQTFR-FSPWUOQZSA-N 1 3 353.457 2.804 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NCc1cccc(F)c1F ZINC001215563771 1041829373 /nfs/dbraw/zinc/82/93/73/1041829373.db2.gz NZFXAEQXDKYJEX-RHSMWYFYSA-N 1 3 367.484 2.879 20 0 FFADHO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NCc1cccc(F)c1F ZINC001215563771 1041829379 /nfs/dbraw/zinc/82/93/79/1041829379.db2.gz NZFXAEQXDKYJEX-RHSMWYFYSA-N 1 3 367.484 2.879 20 0 FFADHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001215778181 1041879325 /nfs/dbraw/zinc/87/93/25/1041879325.db2.gz CTHIDDNBTAQLCC-QRVBRYPASA-N 1 3 353.551 2.501 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001215994081 1041925558 /nfs/dbraw/zinc/92/55/58/1041925558.db2.gz PDGYIXQAQWAADJ-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC001215998986 1041927918 /nfs/dbraw/zinc/92/79/18/1041927918.db2.gz KMAFEKLIPSPGQQ-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H](NCc2ccns2)C1 ZINC001216348320 1042005831 /nfs/dbraw/zinc/00/58/31/1042005831.db2.gz JZOZROKRRJGSHM-SJLPKXTDSA-N 1 3 366.575 2.982 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001216511387 1042044932 /nfs/dbraw/zinc/04/49/32/1042044932.db2.gz QJLHEBKKUOQLSL-IEBWSBKVSA-N 1 3 353.551 2.504 20 0 FFADHO CO[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C1CCCC1 ZINC001263904925 1042522118 /nfs/dbraw/zinc/52/21/18/1042522118.db2.gz FSAGTMNAWCQBTP-QXAKKESOSA-N 1 3 365.562 2.550 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2C)C1)N(C)C ZINC001263926565 1042536891 /nfs/dbraw/zinc/53/68/91/1042536891.db2.gz VVSZFXQTMLEADG-QXAKKESOSA-N 1 3 361.530 2.718 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3F)C2)C1 ZINC001263926307 1042537353 /nfs/dbraw/zinc/53/73/53/1042537353.db2.gz LUMVJOOSUXUKRO-HRCADAONSA-N 1 3 365.468 2.681 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H](NCc3c(F)cccc3F)C2)C1 ZINC001263926307 1042537355 /nfs/dbraw/zinc/53/73/55/1042537355.db2.gz LUMVJOOSUXUKRO-HRCADAONSA-N 1 3 365.468 2.681 20 0 FFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(OC)c1 ZINC001264006801 1042577968 /nfs/dbraw/zinc/57/79/68/1042577968.db2.gz LRGOHRJZEOAJNJ-MJGOQNOKSA-N 1 3 361.530 2.754 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCOc2ccccc2)[C@@H]1C)N(C)C ZINC001264169436 1042649940 /nfs/dbraw/zinc/64/99/40/1042649940.db2.gz IBWULJWMOUCFPQ-HOJAQTOUSA-N 1 3 361.530 2.621 20 0 FFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCOc2ccccc2)[C@@H]1C)N(C)C ZINC001264169436 1042649941 /nfs/dbraw/zinc/64/99/41/1042649941.db2.gz IBWULJWMOUCFPQ-HOJAQTOUSA-N 1 3 361.530 2.621 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCCN2Cc2ccns2)CC[N@@H+]1C ZINC001266216786 1042902093 /nfs/dbraw/zinc/90/20/93/1042902093.db2.gz UJTBRWQFEGHUMY-BPQIPLTHSA-N 1 3 364.559 2.734 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCCN2Cc2ccns2)CC[N@H+]1C ZINC001266216786 1042902098 /nfs/dbraw/zinc/90/20/98/1042902098.db2.gz UJTBRWQFEGHUMY-BPQIPLTHSA-N 1 3 364.559 2.734 20 0 FFADHO COC(=O)c1ccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1 ZINC001279189731 1042939449 /nfs/dbraw/zinc/93/94/49/1042939449.db2.gz CRYCTYHIEDQKHT-RTWAWAEBSA-N 1 3 359.514 2.559 20 0 FFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(CCc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC001279244045 1042963708 /nfs/dbraw/zinc/96/37/08/1042963708.db2.gz JTMMZQPWMABBBO-FUHWJXTLSA-N 1 3 355.448 2.816 20 0 FFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(CCc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC001279244045 1042963713 /nfs/dbraw/zinc/96/37/13/1042963713.db2.gz JTMMZQPWMABBBO-FUHWJXTLSA-N 1 3 355.448 2.816 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1 ZINC001279319503 1042998675 /nfs/dbraw/zinc/99/86/75/1042998675.db2.gz QOFBZQAZWPPNAP-CALCHBBNSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1 ZINC001279319503 1042998676 /nfs/dbraw/zinc/99/86/76/1042998676.db2.gz QOFBZQAZWPPNAP-CALCHBBNSA-N 1 3 363.933 2.880 20 0 FFADHO Cc1ccncc1CN1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279355157 1043023028 /nfs/dbraw/zinc/02/30/28/1043023028.db2.gz NTILITJVMMBVCI-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO Cc1ccncc1CN1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279355157 1043023032 /nfs/dbraw/zinc/02/30/32/1043023032.db2.gz NTILITJVMMBVCI-UHFFFAOYSA-N 1 3 353.514 2.965 20 0 FFADHO CCCCc1nc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)c[nH]1 ZINC001279361533 1043027497 /nfs/dbraw/zinc/02/74/97/1043027497.db2.gz ZXULZAFBQZXNPE-OAQYLSRUSA-N 1 3 361.578 2.992 20 0 FFADHO CCCCc1nc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)c[nH]1 ZINC001279361533 1043027500 /nfs/dbraw/zinc/02/75/00/1043027500.db2.gz ZXULZAFBQZXNPE-OAQYLSRUSA-N 1 3 361.578 2.992 20 0 FFADHO CCCCc1ncc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)[nH]1 ZINC001279361533 1043027504 /nfs/dbraw/zinc/02/75/04/1043027504.db2.gz ZXULZAFBQZXNPE-OAQYLSRUSA-N 1 3 361.578 2.992 20 0 FFADHO CCCCc1ncc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)[nH]1 ZINC001279361533 1043027508 /nfs/dbraw/zinc/02/75/08/1043027508.db2.gz ZXULZAFBQZXNPE-OAQYLSRUSA-N 1 3 361.578 2.992 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1c(C)ncn1C)CC2 ZINC001279377094 1043037134 /nfs/dbraw/zinc/03/71/34/1043037134.db2.gz HJNANWXBMGJKPE-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1c(C)ncn1C)CC2 ZINC001279377094 1043037140 /nfs/dbraw/zinc/03/71/40/1043037140.db2.gz HJNANWXBMGJKPE-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Brc1ccc(C[C@@H]2CCC[N@@H+]2CC[C@H]2CNCCO2)cc1 ZINC001237258087 1043078102 /nfs/dbraw/zinc/07/81/02/1043078102.db2.gz KGUKSCJLGZMFBA-IRXDYDNUSA-N 1 3 353.304 2.835 20 0 FFADHO Brc1ccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CNCCO2)cc1 ZINC001237258087 1043078113 /nfs/dbraw/zinc/07/81/13/1043078113.db2.gz KGUKSCJLGZMFBA-IRXDYDNUSA-N 1 3 353.304 2.835 20 0 FFADHO CCc1cccc(C)c1C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001237322342 1043108079 /nfs/dbraw/zinc/10/80/79/1043108079.db2.gz CQAQXTLQNAKBBG-UHFFFAOYSA-N 1 3 367.537 2.882 20 0 FFADHO CCc1cccc(C)c1C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001237322342 1043108088 /nfs/dbraw/zinc/10/80/88/1043108088.db2.gz CQAQXTLQNAKBBG-UHFFFAOYSA-N 1 3 367.537 2.882 20 0 FFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3cc4ccncc4[nH]3)(C1)CCC2 ZINC001279464844 1043146454 /nfs/dbraw/zinc/14/64/54/1043146454.db2.gz UTMDWLDTCWUMSJ-UXHICEINSA-N 1 3 358.486 2.708 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3)nc2)CCC12C[NH2+]C2 ZINC001237431236 1043156127 /nfs/dbraw/zinc/15/61/27/1043156127.db2.gz PQLPIKILVRQLOJ-IBGZPJMESA-N 1 3 365.477 2.723 20 0 FFADHO CCOC(=O)[C@H]1CN(Cc2[nH]c3ccc(F)cc3c2C)CCC12C[NH2+]C2 ZINC001237431407 1043156625 /nfs/dbraw/zinc/15/66/25/1043156625.db2.gz RZLZUPFMAOCTMF-MRXNPFEDSA-N 1 3 359.445 2.590 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2cc3ccc(Cl)cc3[nH]2)CCC12C[NH2+]C2 ZINC001237430694 1043156733 /nfs/dbraw/zinc/15/67/33/1043156733.db2.gz METBSGLKMIGTSF-INIZCTEOSA-N 1 3 361.873 2.796 20 0 FFADHO C[NH+](C)CCN1CC2(CN(CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001279510776 1043206657 /nfs/dbraw/zinc/20/66/57/1043206657.db2.gz JKOUCMJQUQQHHY-UHFFFAOYSA-N 1 3 355.448 2.817 20 0 FFADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2CC1 ZINC001279583433 1043294066 /nfs/dbraw/zinc/29/40/66/1043294066.db2.gz ANHQLTFXTPEWHD-OYRHEFFESA-N 1 3 354.498 2.770 20 0 FFADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]2CC1 ZINC001279583433 1043294074 /nfs/dbraw/zinc/29/40/74/1043294074.db2.gz ANHQLTFXTPEWHD-OYRHEFFESA-N 1 3 354.498 2.770 20 0 FFADHO CN(C)CC(C)(C)C[N@@H+]1CCCC2(CN(C(=O)Cc3ccsc3)C2)C1 ZINC001279592844 1043308393 /nfs/dbraw/zinc/30/83/93/1043308393.db2.gz VIQRZWQKURROJL-UHFFFAOYSA-N 1 3 363.571 2.803 20 0 FFADHO CN(C)CC(C)(C)C[N@H+]1CCCC2(CN(C(=O)Cc3ccsc3)C2)C1 ZINC001279592844 1043308398 /nfs/dbraw/zinc/30/83/98/1043308398.db2.gz VIQRZWQKURROJL-UHFFFAOYSA-N 1 3 363.571 2.803 20 0 FFADHO Cc1ccn2c(CN[C@@]34CC[C@@]([NH2+]CCN(C)C)(C3)CCC4)cnc2c1 ZINC001279626649 1043363777 /nfs/dbraw/zinc/36/37/77/1043363777.db2.gz WUNHKVUCOOJJJV-RTWAWAEBSA-N 1 3 355.530 2.729 20 0 FFADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3nc4ccccc4s3)C[C@H]2CC1 ZINC001279634463 1043375991 /nfs/dbraw/zinc/37/59/91/1043375991.db2.gz FBWIKSMZCQBGAM-IYBDPMFKSA-N 1 3 372.538 2.528 20 0 FFADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3nc4ccccc4s3)C[C@H]2CC1 ZINC001279634463 1043375993 /nfs/dbraw/zinc/37/59/93/1043375993.db2.gz FBWIKSMZCQBGAM-IYBDPMFKSA-N 1 3 372.538 2.528 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3nc4ccccc4s3)C[C@H]2CC1 ZINC001279634463 1043375997 /nfs/dbraw/zinc/37/59/97/1043375997.db2.gz FBWIKSMZCQBGAM-IYBDPMFKSA-N 1 3 372.538 2.528 20 0 FFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3nc4ccccc4s3)C[C@H]2CC1 ZINC001279634463 1043376003 /nfs/dbraw/zinc/37/60/03/1043376003.db2.gz FBWIKSMZCQBGAM-IYBDPMFKSA-N 1 3 372.538 2.528 20 0 FFADHO Cc1c(Br)cccc1CN1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001279639556 1043383615 /nfs/dbraw/zinc/38/36/15/1043383615.db2.gz OGQBIJYBEMEMSY-ROUUACIJSA-N 1 3 366.347 2.968 20 0 FFADHO CCOc1cncc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001279670294 1043439409 /nfs/dbraw/zinc/43/94/09/1043439409.db2.gz MPSUYRYYQPSIBS-UHFFFAOYSA-N 1 3 360.546 2.720 20 0 FFADHO CCOc1cncc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001279670294 1043439421 /nfs/dbraw/zinc/43/94/21/1043439421.db2.gz MPSUYRYYQPSIBS-UHFFFAOYSA-N 1 3 360.546 2.720 20 0 FFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2CCc1cccc(C(F)(F)F)c1 ZINC001278238030 1043731673 /nfs/dbraw/zinc/73/16/73/1043731673.db2.gz PFEAOMPJEVHGMV-HDICACEKSA-N 1 3 355.448 2.958 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1c(Cl)cccc1Cl ZINC001239213476 1044072390 /nfs/dbraw/zinc/07/23/90/1044072390.db2.gz CMLRHWRRIFMPEC-LLVKDONJSA-N 1 3 357.285 2.989 20 0 FFADHO NCCC[NH2+]CCCNC(=O)Nc1cc(Br)ccc1Cl ZINC001239253325 1044087712 /nfs/dbraw/zinc/08/77/12/1044087712.db2.gz XZDULZTYPFPEIR-UHFFFAOYSA-N 1 3 363.687 2.553 20 0 FFADHO Cc1ccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c(Cl)c1 ZINC001239364313 1044103747 /nfs/dbraw/zinc/10/37/47/1044103747.db2.gz VWJKMYBYKFURKC-ZDUSSCGKSA-N 1 3 352.935 2.809 20 0 FFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2csnn2)cc1 ZINC001280235036 1044441039 /nfs/dbraw/zinc/44/10/39/1044441039.db2.gz SKFQKQNURVAEOC-YQQQUEKLSA-N 1 3 371.554 2.852 20 0 FFADHO CCN1CCN(c2ccc(-c3ncc(F)c(C4CC[NH2+]CC4)n3)cc2)CC1 ZINC001241740033 1044581459 /nfs/dbraw/zinc/58/14/59/1044581459.db2.gz JFIBKMCXYGZCSM-UHFFFAOYSA-N 1 3 369.488 2.892 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)cc1 ZINC001319083461 1045016851 /nfs/dbraw/zinc/01/68/51/1045016851.db2.gz OHDMESJMBQUBKN-RXVVDRJESA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)cc1 ZINC001319083461 1045016886 /nfs/dbraw/zinc/01/68/86/1045016886.db2.gz OHDMESJMBQUBKN-RXVVDRJESA-N 1 3 370.541 2.695 20 0 FFADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1ccccc1OCC(=O)N(C)C ZINC001319198400 1045063843 /nfs/dbraw/zinc/06/38/43/1045063843.db2.gz CUAAPGREWBWZGZ-PKOBYXMFSA-N 1 3 361.530 2.926 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001317798616 1045141017 /nfs/dbraw/zinc/14/10/17/1045141017.db2.gz YAMABMZVGGKDFG-HXUWFJFHSA-N 1 3 374.598 2.862 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001317798616 1045141025 /nfs/dbraw/zinc/14/10/25/1045141025.db2.gz YAMABMZVGGKDFG-HXUWFJFHSA-N 1 3 374.598 2.862 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2N2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC001319829018 1045281682 /nfs/dbraw/zinc/28/16/82/1045281682.db2.gz PHPQWGNXBVNVKX-TZIWHRDSSA-N 1 3 356.558 2.745 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2N2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC001319829018 1045281688 /nfs/dbraw/zinc/28/16/88/1045281688.db2.gz PHPQWGNXBVNVKX-TZIWHRDSSA-N 1 3 356.558 2.745 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2N2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001319829018 1045281694 /nfs/dbraw/zinc/28/16/94/1045281694.db2.gz PHPQWGNXBVNVKX-TZIWHRDSSA-N 1 3 356.558 2.745 20 0 FFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCN(C)CC3)c2)C12CCC2 ZINC001319951966 1045311938 /nfs/dbraw/zinc/31/19/38/1045311938.db2.gz VAERPMDBHBUVBK-NHCUHLMSSA-N 1 3 357.542 2.871 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001321843966 1045832448 /nfs/dbraw/zinc/83/24/48/1045832448.db2.gz HKHGGJQNOWNWEC-PMACEKPBSA-N 1 3 360.546 2.941 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC001321869233 1045848316 /nfs/dbraw/zinc/84/83/16/1045848316.db2.gz VEWUMDZRKLTBAV-MOPGFXCFSA-N 1 3 359.514 2.650 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccn2C2CC2)CC1 ZINC001325111147 1046377358 /nfs/dbraw/zinc/37/73/58/1046377358.db2.gz KYHGBIIMKZALOL-UHFFFAOYSA-N 1 3 360.546 2.739 20 0 FFADHO CN1CCN(Cc2cccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)c2)CC1 ZINC001326039628 1046739312 /nfs/dbraw/zinc/73/93/12/1046739312.db2.gz SINJFHHCNCVZGZ-FGZHOGPDSA-N 1 3 350.510 2.668 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001326087227 1046760637 /nfs/dbraw/zinc/76/06/37/1046760637.db2.gz RAJZJJIHNNCRNW-WVVQBRDUSA-N 1 3 370.541 2.966 20 0 FFADHO CN1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001326087227 1046760648 /nfs/dbraw/zinc/76/06/48/1046760648.db2.gz RAJZJJIHNNCRNW-WVVQBRDUSA-N 1 3 370.541 2.966 20 0 FFADHO CC(C)[N@H+](C)CCn1c(N2CCN(C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001287927261 1047375288 /nfs/dbraw/zinc/37/52/88/1047375288.db2.gz KBIAYKHWZWAKHS-UHFFFAOYSA-N 1 3 364.582 2.836 20 0 FFADHO CC(C)[N@@H+](C)CCn1c(N2CCN(C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001287927261 1047375300 /nfs/dbraw/zinc/37/53/00/1047375300.db2.gz KBIAYKHWZWAKHS-UHFFFAOYSA-N 1 3 364.582 2.836 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001327829726 1048060729 /nfs/dbraw/zinc/06/07/29/1048060729.db2.gz DQVDFXDTWDJHTB-RBUKOAKNSA-N 1 3 362.518 2.758 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001328203135 1048222688 /nfs/dbraw/zinc/22/26/88/1048222688.db2.gz LUJRTONBSZJLRH-MRXNPFEDSA-N 1 3 364.493 2.683 20 0 FFADHO COc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc(Cl)c1OC ZINC001332976353 1048652342 /nfs/dbraw/zinc/65/23/42/1048652342.db2.gz PHZKAPSQGMGRCR-UHFFFAOYSA-N 1 3 356.894 2.682 20 0 FFADHO [NH3+]CCCn1ccc2cc(-c3nc([C@@H]4CN5CCC4CC5)no3)ccc21 ZINC001329432272 1048717592 /nfs/dbraw/zinc/71/75/92/1048717592.db2.gz DJTUZXRZCNBJBG-QGZVFWFLSA-N 1 3 351.454 2.849 20 0 FFADHO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccc2c(c1)CNC2 ZINC001333263698 1048791791 /nfs/dbraw/zinc/79/17/91/1048791791.db2.gz XIWYMFVNCFLKGU-NRFANRHFSA-N 1 3 362.477 2.827 20 0 FFADHO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)c1ccc2c(c1)CNC2 ZINC001333263698 1048791804 /nfs/dbraw/zinc/79/18/04/1048791804.db2.gz XIWYMFVNCFLKGU-NRFANRHFSA-N 1 3 362.477 2.827 20 0 FFADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001294692835 1049795006 /nfs/dbraw/zinc/79/50/06/1049795006.db2.gz DJLILWZCMNREQG-ZHALLVOQSA-N 1 3 362.566 2.770 20 0 FFADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001294692835 1049795010 /nfs/dbraw/zinc/79/50/10/1049795010.db2.gz DJLILWZCMNREQG-ZHALLVOQSA-N 1 3 362.566 2.770 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2c(F)cccc2F)C1)N(C)C ZINC001316660489 1050075995 /nfs/dbraw/zinc/07/59/95/1050075995.db2.gz QDEFSPZAZHCJKH-KHYOSLBOSA-N 1 3 367.484 2.722 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cc(Cl)n1 ZINC001341527840 1050158911 /nfs/dbraw/zinc/15/89/11/1050158911.db2.gz ZSHUELZLAIIJIB-CZUORRHYSA-N 1 3 358.873 2.913 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)N(C)C)cc1 ZINC001341629964 1050256302 /nfs/dbraw/zinc/25/63/02/1050256302.db2.gz NRYUEOLFBRGDCB-ANULTFPQSA-N 1 3 373.541 2.515 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001340064846 1050473759 /nfs/dbraw/zinc/47/37/59/1050473759.db2.gz WWJXQBACGNYUSI-QZTJIDSGSA-N 1 3 371.525 2.895 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001340064846 1050473760 /nfs/dbraw/zinc/47/37/60/1050473760.db2.gz WWJXQBACGNYUSI-QZTJIDSGSA-N 1 3 371.525 2.895 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001340105553 1050511420 /nfs/dbraw/zinc/51/14/20/1050511420.db2.gz NJVOHQSPXGMVKX-LJQANCHMSA-N 1 3 365.477 2.515 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc3c2OCCNC3)C1 ZINC001340105553 1050511428 /nfs/dbraw/zinc/51/14/28/1050511428.db2.gz NJVOHQSPXGMVKX-LJQANCHMSA-N 1 3 365.477 2.515 20 0 FFADHO [NH3+]CC1(CC(=O)N2C[C@H](C[C@H]3COCCN3)c3ccccc32)CCCCC1 ZINC001342000455 1050597328 /nfs/dbraw/zinc/59/73/28/1050597328.db2.gz KZQDKXBYWJKQGZ-ROUUACIJSA-N 1 3 371.525 2.795 20 0 FFADHO [NH3+]CC1(CC(=O)N2C[C@@H](C[C@H]3COCCN3)c3ccccc32)CCCCC1 ZINC001342000453 1050597905 /nfs/dbraw/zinc/59/79/05/1050597905.db2.gz KZQDKXBYWJKQGZ-MSOLQXFVSA-N 1 3 371.525 2.795 20 0 FFADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001340202078 1050609363 /nfs/dbraw/zinc/60/93/63/1050609363.db2.gz TVXFKQOKPAIDPL-RBBKRZOGSA-N 1 3 371.525 2.752 20 0 FFADHO Cn1c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001340632570 1051008694 /nfs/dbraw/zinc/00/86/94/1051008694.db2.gz VGKYYKAQIFNFMT-PXNSSMCTSA-N 1 3 368.481 2.753 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1)[C@H]1CCCN(C)C1 ZINC001340873273 1051206691 /nfs/dbraw/zinc/20/66/91/1051206691.db2.gz QPHPCERAILTEQA-ZWKOTPCHSA-N 1 3 374.529 2.555 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1C(F)(F)F ZINC001341074527 1051419607 /nfs/dbraw/zinc/41/96/07/1051419607.db2.gz NWSJUENABTXLFM-HZPDHXFCSA-N 1 3 355.404 2.634 20 0 FFADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)OCCO2 ZINC001342915556 1051524289 /nfs/dbraw/zinc/52/42/89/1051524289.db2.gz QHAHLKZRCBGJFL-XUVXKRRUSA-N 1 3 362.489 2.774 20 0 FFADHO F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)OCCO2 ZINC001342915560 1051524357 /nfs/dbraw/zinc/52/43/57/1051524357.db2.gz QHAHLKZRCBGJFL-ZCNNSNEGSA-N 1 3 362.489 2.774 20 0 FFADHO O=C(NC1(C2CC[NH2+]CC2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001343039961 1051656839 /nfs/dbraw/zinc/65/68/39/1051656839.db2.gz DRCWGUOXAMXBER-QGZVFWFLSA-N 1 3 359.489 2.686 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC[N@@H+]1CCOCC1CCC1 ZINC001316734461 1051676742 /nfs/dbraw/zinc/67/67/42/1051676742.db2.gz MWYFMKPTIOVLOH-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC[N@H+]1CCOCC1CCC1 ZINC001316734461 1051676748 /nfs/dbraw/zinc/67/67/48/1051676748.db2.gz MWYFMKPTIOVLOH-XUVXKRRUSA-N 1 3 365.562 2.645 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001341337432 1051693099 /nfs/dbraw/zinc/69/30/99/1051693099.db2.gz VCUYBZJWIMTAOZ-KRWDZBQOSA-N 1 3 360.550 2.562 20 0 FFADHO CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001341337432 1051693100 /nfs/dbraw/zinc/69/31/00/1051693100.db2.gz VCUYBZJWIMTAOZ-KRWDZBQOSA-N 1 3 360.550 2.562 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CCCCOC ZINC001316738473 1051944770 /nfs/dbraw/zinc/94/47/70/1051944770.db2.gz ICJTVJUTPIPNRQ-QKLQHJQFSA-N 1 3 371.541 2.595 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CCCCOC ZINC001316738473 1051944774 /nfs/dbraw/zinc/94/47/74/1051944774.db2.gz ICJTVJUTPIPNRQ-QKLQHJQFSA-N 1 3 371.541 2.595 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)CCCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC001343396415 1052204668 /nfs/dbraw/zinc/20/46/68/1052204668.db2.gz YMQOBDLKHHTXDE-QZTJIDSGSA-N 1 3 353.551 2.552 20 0 FFADHO Cn1cc(N2CC[C@H](N[C@@H](CCCC[NH3+])c3ccc(F)cc3F)C2)cn1 ZINC001345097173 1052255985 /nfs/dbraw/zinc/25/59/85/1052255985.db2.gz HPNGUGVAJCNAFE-KXBFYZLASA-N 1 3 363.456 2.737 20 0 FFADHO COC(=O)c1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1C ZINC001307503713 1052314526 /nfs/dbraw/zinc/31/45/26/1052314526.db2.gz KHUHEEPRLURMAO-UHFFFAOYSA-N 1 3 360.498 2.858 20 0 FFADHO CN(CCCC[NH+]1CCCCC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001308040313 1052389780 /nfs/dbraw/zinc/38/97/80/1052389780.db2.gz TZHCNFGJLNVBPJ-GOSISDBHSA-N 1 3 369.550 2.820 20 0 FFADHO COCC[C@@H](CNC[C@@H](C)C[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC001308216715 1052432637 /nfs/dbraw/zinc/43/26/37/1052432637.db2.gz XORYUVKZIATSFD-SJORKVTESA-N 1 3 357.539 2.628 20 0 FFADHO COCC[C@@H](C[NH2+]C[C@@H](C)CN1CCCCC1)NC(=O)OC(C)(C)C ZINC001308216715 1052432640 /nfs/dbraw/zinc/43/26/40/1052432640.db2.gz XORYUVKZIATSFD-SJORKVTESA-N 1 3 357.539 2.628 20 0 FFADHO Cc1cccc(CNCCN2CCC([NH+](C)C)CC2)c1Br ZINC001308301373 1052443470 /nfs/dbraw/zinc/44/34/70/1052443470.db2.gz WXUXFMZSWFFEMO-UHFFFAOYSA-N 1 3 354.336 2.873 20 0 FFADHO COCC[C@@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC001308478253 1052459441 /nfs/dbraw/zinc/45/94/41/1052459441.db2.gz FYLIOYIWPASCJB-MSOLQXFVSA-N 1 3 369.550 2.628 20 0 FFADHO COCC[C@@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC001308478253 1052459444 /nfs/dbraw/zinc/45/94/44/1052459444.db2.gz FYLIOYIWPASCJB-MSOLQXFVSA-N 1 3 369.550 2.628 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3C(=O)OC[C@H]3Cc3ccccc3)C[C@@H]2C1 ZINC001335251181 1053268942 /nfs/dbraw/zinc/26/89/42/1053268942.db2.gz AIQHDPOZZCSTJB-VNTMZGSJSA-N 1 3 357.498 2.670 20 0 FFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC001336014903 1053706205 /nfs/dbraw/zinc/70/62/05/1053706205.db2.gz AEJJAEIIIUKQLS-GOEBONIOSA-N 1 3 371.319 2.510 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccccc2)CC1 ZINC001337209183 1054558478 /nfs/dbraw/zinc/55/84/78/1054558478.db2.gz QGEQTJLBVTWMDF-IBGZPJMESA-N 1 3 360.571 2.553 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccccc2)CC1 ZINC001337209183 1054558493 /nfs/dbraw/zinc/55/84/93/1054558493.db2.gz QGEQTJLBVTWMDF-IBGZPJMESA-N 1 3 360.571 2.553 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](c4ccccc4F)CC3=O)C[C@H]2C1 ZINC001356057994 1055252211 /nfs/dbraw/zinc/25/22/11/1055252211.db2.gz WBKJEKRTCWWNGK-BRSBDYLESA-N 1 3 359.489 2.761 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC[C@H](SC)C3)CC2)CC1 ZINC001349811858 1055480751 /nfs/dbraw/zinc/48/07/51/1055480751.db2.gz OLBKEVFXSAWAAN-OALUTQOASA-N 1 3 367.603 2.925 20 0 FFADHO Cc1cccc(OC[C@H](O)C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC001356585376 1055596536 /nfs/dbraw/zinc/59/65/36/1055596536.db2.gz RMKVFYDYKLJTMG-OAQYLSRUSA-N 1 3 369.509 2.632 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC[C@](C)(c4ccccc4)C3=O)C[C@H]2C1 ZINC001352758633 1055770344 /nfs/dbraw/zinc/77/03/44/1055770344.db2.gz AOKAEGHBVWEDFR-RMEPHLEKSA-N 1 3 355.526 2.796 20 0 FFADHO C[C@@H]1CCN(C(=O)NC2CC3(CC([NH3+])C3)C2)CCN1Cc1ccccc1 ZINC001357764555 1056005265 /nfs/dbraw/zinc/00/52/65/1056005265.db2.gz OSKMRNFDEVFJAN-WOLZCAMPSA-N 1 3 356.514 2.562 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC001200203951 1056027516 /nfs/dbraw/zinc/02/75/16/1056027516.db2.gz LERXLPRMCNPQRP-INIZCTEOSA-N 1 3 373.463 2.991 20 0 FFADHO Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001351228912 1056145504 /nfs/dbraw/zinc/14/55/04/1056145504.db2.gz SKACYZOKNGAJEL-MOPGFXCFSA-N 1 3 374.577 2.717 20 0 FFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC001200267580 1056190788 /nfs/dbraw/zinc/19/07/88/1056190788.db2.gz IBIFBQLZCVOQFT-CQSZACIVSA-N 1 3 357.470 2.678 20 0 FFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc(N)ccn1 ZINC001353478421 1056440029 /nfs/dbraw/zinc/44/00/29/1056440029.db2.gz WMYOYEKHJTZQQP-LJQANCHMSA-N 1 3 367.497 2.764 20 0 FFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cc(N)ccn1 ZINC001353478421 1056440036 /nfs/dbraw/zinc/44/00/36/1056440036.db2.gz WMYOYEKHJTZQQP-LJQANCHMSA-N 1 3 367.497 2.764 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NOCc3ccc(F)cc3)CC2)CC1 ZINC000847730524 1056475604 /nfs/dbraw/zinc/47/56/04/1056475604.db2.gz VJSHBQBOLOPTSJ-UHFFFAOYSA-N 1 3 363.477 2.570 20 0 FFADHO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCN(C)C3)cnc12 ZINC001200365920 1056490096 /nfs/dbraw/zinc/49/00/96/1056490096.db2.gz PXHUCNSXXWXDPE-ZDUSSCGKSA-N 1 3 351.292 2.837 20 0 FFADHO S=C(NCC[NH+]1CCCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC001200430174 1056671067 /nfs/dbraw/zinc/67/10/67/1056671067.db2.gz XRDJPYILRZWNNA-UHFFFAOYSA-N 1 3 360.571 2.555 20 0 FFADHO CC(C)(C)OC(=O)CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849101750 1056760250 /nfs/dbraw/zinc/76/02/50/1056760250.db2.gz KKLFEPYUQNZRKO-UHFFFAOYSA-N 1 3 374.529 2.887 20 0 FFADHO c1nc(CC2CC[NH2+]CC2)sc1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001353963673 1058433624 /nfs/dbraw/zinc/43/36/24/1058433624.db2.gz SKFLEXKZCHFUCS-AWEZNQCLSA-N 1 3 359.499 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNC/C(Cl)=C\Cl)C2)CC[N@@H+]1C ZINC001500348278 1058472043 /nfs/dbraw/zinc/47/20/43/1058472043.db2.gz XCSLNPLERIPTMC-HSFWSYLZSA-N 1 3 362.345 2.864 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNC/C(Cl)=C\Cl)C2)CC[N@H+]1C ZINC001500348278 1058472051 /nfs/dbraw/zinc/47/20/51/1058472051.db2.gz XCSLNPLERIPTMC-HSFWSYLZSA-N 1 3 362.345 2.864 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC001447701797 1058691057 /nfs/dbraw/zinc/69/10/57/1058691057.db2.gz HZRARJVKBUTYHH-LJQANCHMSA-N 1 3 361.530 2.707 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1 ZINC001447701797 1058691063 /nfs/dbraw/zinc/69/10/63/1058691063.db2.gz HZRARJVKBUTYHH-LJQANCHMSA-N 1 3 361.530 2.707 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001502286751 1058808424 /nfs/dbraw/zinc/80/84/24/1058808424.db2.gz SEYYGDNPOMQNFR-QGZVFWFLSA-N 1 3 360.550 2.560 20 0 FFADHO CC[N@H+]1CCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001502286751 1058808449 /nfs/dbraw/zinc/80/84/49/1058808449.db2.gz SEYYGDNPOMQNFR-QGZVFWFLSA-N 1 3 360.550 2.560 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCCc3cc(CC[NH3+])ccc32)cc(Cl)n1 ZINC001514564663 1058987258 /nfs/dbraw/zinc/98/72/58/1058987258.db2.gz GAEOHTDFEQQQQV-KRWDZBQOSA-N 1 3 372.900 2.914 20 0 FFADHO CC[NH+](CC)CCCn1c(C2CCC2)nnc1N1CCN(CC2CC2)CC1 ZINC001515585811 1059708548 /nfs/dbraw/zinc/70/85/48/1059708548.db2.gz LLFJMTPWQDUDFR-UHFFFAOYSA-N 1 3 374.577 2.810 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001515814699 1059815004 /nfs/dbraw/zinc/81/50/04/1059815004.db2.gz LKGZYSNAWWFVAW-SJORKVTESA-N 1 3 360.550 2.560 20 0 FFADHO [NH3+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC001355352124 1060159074 /nfs/dbraw/zinc/15/90/74/1060159074.db2.gz UAWXJJKLHLBAQR-UXHICEINSA-N 1 3 370.541 2.804 20 0 FFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)ccc1OC ZINC000848564624 1060285213 /nfs/dbraw/zinc/28/52/13/1060285213.db2.gz PSWISBJCJNYDOT-QAPCUYQASA-N 1 3 371.529 2.874 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC001459657844 1060787338 /nfs/dbraw/zinc/78/73/38/1060787338.db2.gz QHRDRDRSDXLQPB-XMTFNYHQSA-N 1 3 351.535 2.906 20 0 FFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC001459657844 1060787352 /nfs/dbraw/zinc/78/73/52/1060787352.db2.gz QHRDRDRSDXLQPB-XMTFNYHQSA-N 1 3 351.535 2.906 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H]([S@@](C)=O)C2)CC1 ZINC001461803754 1061411755 /nfs/dbraw/zinc/41/17/55/1061411755.db2.gz CSORCJYJPHQSMA-HHJKRLRDSA-N 1 3 363.571 2.608 20 0 FFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC001477928068 1061840016 /nfs/dbraw/zinc/84/00/16/1061840016.db2.gz RQAOUWVBWHCZCS-SLFFLAALSA-N 1 3 356.514 2.559 20 0 FFADHO C[N@H+]1C[C@@H]2CCN(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)[C@@H]2C1 ZINC001477928068 1061840021 /nfs/dbraw/zinc/84/00/21/1061840021.db2.gz RQAOUWVBWHCZCS-SLFFLAALSA-N 1 3 356.514 2.559 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001478956971 1062161012 /nfs/dbraw/zinc/16/10/12/1062161012.db2.gz KAJRRUYUFVLWAC-IPELMVKDSA-N 1 3 364.509 2.583 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001478956971 1062161022 /nfs/dbraw/zinc/16/10/22/1062161022.db2.gz KAJRRUYUFVLWAC-IPELMVKDSA-N 1 3 364.509 2.583 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001492911282 1062261333 /nfs/dbraw/zinc/26/13/33/1062261333.db2.gz FMCJBYCLKIBWMC-IBGZPJMESA-N 1 3 374.577 2.772 20 0 FFADHO Cc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001492911282 1062261348 /nfs/dbraw/zinc/26/13/48/1062261348.db2.gz FMCJBYCLKIBWMC-IBGZPJMESA-N 1 3 374.577 2.772 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC001479475597 1062449670 /nfs/dbraw/zinc/44/96/70/1062449670.db2.gz HPAIJXJNIVRIQF-LJQANCHMSA-N 1 3 358.530 2.697 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC001479475597 1062449682 /nfs/dbraw/zinc/44/96/82/1062449682.db2.gz HPAIJXJNIVRIQF-LJQANCHMSA-N 1 3 358.530 2.697 20 0 FFADHO CO[C@@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1)c1ccccc1 ZINC001479488453 1062472541 /nfs/dbraw/zinc/47/25/41/1062472541.db2.gz LEQYMXQJAHLQSA-HQRMLTQVSA-N 1 3 370.497 2.523 20 0 FFADHO CCc1noc(C)c1CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[N@@H+](C)CC ZINC001479581560 1062581471 /nfs/dbraw/zinc/58/14/71/1062581471.db2.gz XZSNPIHXQGDRNY-WBVHZDCISA-N 1 3 364.534 2.604 20 0 FFADHO CCc1noc(C)c1CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001479581560 1062581493 /nfs/dbraw/zinc/58/14/93/1062581493.db2.gz XZSNPIHXQGDRNY-WBVHZDCISA-N 1 3 364.534 2.604 20 0 FFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001479607440 1062620601 /nfs/dbraw/zinc/62/06/01/1062620601.db2.gz JDAOVYJGQVCXEU-MAUKXSAKSA-N 1 3 352.498 2.848 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC001464645707 1062739150 /nfs/dbraw/zinc/73/91/50/1062739150.db2.gz XYNPBZUSBFOMFE-QGZVFWFLSA-N 1 3 367.484 2.977 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC001464645707 1062739170 /nfs/dbraw/zinc/73/91/70/1062739170.db2.gz XYNPBZUSBFOMFE-QGZVFWFLSA-N 1 3 367.484 2.977 20 0 FFADHO CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(CCOCC(C)C)CC1 ZINC001479993674 1063021784 /nfs/dbraw/zinc/02/17/84/1063021784.db2.gz QFVCEIGDGOPIEB-UYAOXDASSA-N 1 3 367.578 2.702 20 0 FFADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(CCOCC(C)C)CC1 ZINC001479993674 1063021803 /nfs/dbraw/zinc/02/18/03/1063021803.db2.gz QFVCEIGDGOPIEB-UYAOXDASSA-N 1 3 367.578 2.702 20 0 FFADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001525295760 1063240578 /nfs/dbraw/zinc/24/05/78/1063240578.db2.gz FMRFDDWOCDHLIW-NRFANRHFSA-N 1 3 363.521 2.832 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)N(C)C)cc1 ZINC001468017262 1063910237 /nfs/dbraw/zinc/91/02/37/1063910237.db2.gz HZELYNYVVJQKMM-UFYCRDLUSA-N 1 3 358.530 2.587 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)N(C)C)cc1 ZINC001468017262 1063910245 /nfs/dbraw/zinc/91/02/45/1063910245.db2.gz HZELYNYVVJQKMM-UFYCRDLUSA-N 1 3 358.530 2.587 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC001469895030 1064225224 /nfs/dbraw/zinc/22/52/24/1064225224.db2.gz KLVJEVTXNPZGJE-NHCUHLMSSA-N 1 3 355.526 2.779 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC001469895030 1064225228 /nfs/dbraw/zinc/22/52/28/1064225228.db2.gz KLVJEVTXNPZGJE-NHCUHLMSSA-N 1 3 355.526 2.779 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001470027033 1064246120 /nfs/dbraw/zinc/24/61/20/1064246120.db2.gz XTIRODXPCQNVNS-CABCVRRESA-N 1 3 351.560 2.875 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001470027033 1064246131 /nfs/dbraw/zinc/24/61/31/1064246131.db2.gz XTIRODXPCQNVNS-CABCVRRESA-N 1 3 351.560 2.875 20 0 FFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001471687787 1064759001 /nfs/dbraw/zinc/75/90/01/1064759001.db2.gz VZVQDJARXKOGCR-DFQSSKMNSA-N 1 3 359.489 2.733 20 0 FFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001471687787 1064759012 /nfs/dbraw/zinc/75/90/12/1064759012.db2.gz VZVQDJARXKOGCR-DFQSSKMNSA-N 1 3 359.489 2.733 20 0 FFADHO CC(C)(C)OC(=O)N[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC001575231352 1078119334 /nfs/dbraw/zinc/11/93/34/1078119334.db2.gz CVLTXAGDKISILV-SLUKUZTOSA-N 1 3 355.498 2.844 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCN1C1CCCC1 ZINC001471826595 1064809185 /nfs/dbraw/zinc/80/91/85/1064809185.db2.gz PJUSBFTUYOFKRF-AZUAARDMSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCN1C1CCCC1 ZINC001471826595 1064809196 /nfs/dbraw/zinc/80/91/96/1064809196.db2.gz PJUSBFTUYOFKRF-AZUAARDMSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCN1C1CCCC1 ZINC001471826596 1064809894 /nfs/dbraw/zinc/80/98/94/1064809894.db2.gz PJUSBFTUYOFKRF-ICSRJNTNSA-N 1 3 370.541 2.769 20 0 FFADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCN1C1CCCC1 ZINC001471826596 1064809897 /nfs/dbraw/zinc/80/98/97/1064809897.db2.gz PJUSBFTUYOFKRF-ICSRJNTNSA-N 1 3 370.541 2.769 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)N(C)C)cc1 ZINC001575807159 1078169604 /nfs/dbraw/zinc/16/96/04/1078169604.db2.gz LVRXWWJDHYXCPU-IBGZPJMESA-N 1 3 359.514 2.867 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001473986046 1065432543 /nfs/dbraw/zinc/43/25/43/1065432543.db2.gz IIAIAZHLMDEZCB-HNNXBMFYSA-N 1 3 351.922 2.638 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc(OCC(N)=O)cc2)CC1 ZINC001474005601 1065437615 /nfs/dbraw/zinc/43/76/15/1065437615.db2.gz BFDSDMFGSQWFPD-QGZVFWFLSA-N 1 3 367.493 2.866 20 0 FFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc(OCC(N)=O)cc2)CC1 ZINC001474005600 1065438119 /nfs/dbraw/zinc/43/81/19/1065438119.db2.gz BFDSDMFGSQWFPD-KRWDZBQOSA-N 1 3 367.493 2.866 20 0 FFADHO C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@H](c1ccccc1)N(C)C ZINC001576224735 1078208358 /nfs/dbraw/zinc/20/83/58/1078208358.db2.gz MGQPPJBNFOBCAJ-HRAATJIYSA-N 1 3 351.494 2.796 20 0 FFADHO CN1C[C@@H](C[NH2+]Cc2cc3ccccc3n(C)c2=O)[C@H](c2ccccc2)C1 ZINC001474189540 1065468607 /nfs/dbraw/zinc/46/86/07/1065468607.db2.gz HRVQWGVIBLQJSD-RTWAWAEBSA-N 1 3 361.489 2.974 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CCN1Cc1ccccc1 ZINC001576723609 1078265956 /nfs/dbraw/zinc/26/59/56/1078265956.db2.gz JZFVUNKKIAICLS-QUCCMNQESA-N 1 3 358.530 2.825 20 0 FFADHO C[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC001576827099 1078278346 /nfs/dbraw/zinc/27/83/46/1078278346.db2.gz OLYKMMLVSPWTJZ-FUHWJXTLSA-N 1 3 370.545 2.677 20 0 FFADHO CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@@H](c1cccs1)N(C)C ZINC001577657946 1078385375 /nfs/dbraw/zinc/38/53/75/1078385375.db2.gz UTQAXVVZIAWQPN-GJZGRUSLSA-N 1 3 362.547 2.566 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C2CC2)nnc1N1CC[NH2+][C@H](C)C1)c1ccco1 ZINC001577684542 1078387714 /nfs/dbraw/zinc/38/77/14/1078387714.db2.gz CTXLPFSBNBOELZ-WBVHZDCISA-N 1 3 372.517 2.630 20 0 FFADHO Cc1cc(NC(=O)CN[C@@H](CCC[NH3+])c2ccccc2)n(C(C)(C)C)n1 ZINC001579628733 1078651550 /nfs/dbraw/zinc/65/15/50/1078651550.db2.gz VWAUYOQCAFHCGC-KRWDZBQOSA-N 1 3 357.502 2.955 20 0 FFADHO Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC[NH2+]C2CC2)o1 ZINC001579653122 1078656096 /nfs/dbraw/zinc/65/60/96/1078656096.db2.gz NTKIBEZFVLGUFS-UHFFFAOYSA-N 1 3 372.517 2.519 20 0 FFADHO Fc1cccc(N2CCC[C@H](NCc3ccc(N4CC[NH2+]CC4)o3)C2)c1 ZINC001580034764 1078734161 /nfs/dbraw/zinc/73/41/61/1078734161.db2.gz PRUODXREDSTWNL-KRWDZBQOSA-N 1 3 358.461 2.587 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1c1ccc(F)cc1 ZINC001549029303 1073599986 /nfs/dbraw/zinc/59/99/86/1073599986.db2.gz MXYZQSPKUYMLNX-NHCUHLMSSA-N 1 3 367.468 2.988 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnn(-c4ccccc4)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423353 1074262649 /nfs/dbraw/zinc/26/26/49/1074262649.db2.gz MALHVIJKGNOLJO-MBDNFAEBSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnn(-c4ccccc4)c3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423353 1074262654 /nfs/dbraw/zinc/26/26/54/1074262654.db2.gz MALHVIJKGNOLJO-MBDNFAEBSA-N 1 3 368.525 2.832 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(N4CCCC4)o3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423810 1074263130 /nfs/dbraw/zinc/26/31/30/1074263130.db2.gz RZEAOZGLEYCYRU-ZFMNYDKASA-N 1 3 361.530 2.839 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(N4CCCC4)o3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423810 1074263134 /nfs/dbraw/zinc/26/31/34/1074263134.db2.gz RZEAOZGLEYCYRU-ZFMNYDKASA-N 1 3 361.530 2.839 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CCC4(C[C@@H]4[NH3+])CC3)C2)cc1 ZINC001550750817 1074456282 /nfs/dbraw/zinc/45/62/82/1074456282.db2.gz MDFWGFOYCLLFAL-JMDAGXMHSA-N 1 3 356.514 2.529 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC001551237512 1074658204 /nfs/dbraw/zinc/65/82/04/1074658204.db2.gz PCWDARWXPUBKNU-UHFFFAOYSA-N 1 3 354.498 2.995 20 0 FFADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cccc(-n2ccnn2)c1 ZINC001551398452 1074716274 /nfs/dbraw/zinc/71/62/74/1074716274.db2.gz DVYOYBJNJABVFW-FQVISZRSSA-N 1 3 369.513 2.951 20 0 FFADHO CCN(C(=O)NC1CCC2(C[C@@H]2[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001551544807 1074751155 /nfs/dbraw/zinc/75/11/55/1074751155.db2.gz BPPGDESDGYOYCQ-FGNUKQJGSA-N 1 3 370.541 2.952 20 0 FFADHO CC(C)(CNC(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC001552150547 1075003176 /nfs/dbraw/zinc/00/31/76/1075003176.db2.gz BLQKNXCLWYPZOJ-UXHICEINSA-N 1 3 355.526 2.575 20 0 FFADHO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc2c1CNC2 ZINC001552430832 1075074418 /nfs/dbraw/zinc/07/44/18/1075074418.db2.gz WLWBKWZPXHKCTI-FUHWJXTLSA-N 1 3 353.441 2.552 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001552625283 1075113431 /nfs/dbraw/zinc/11/34/31/1075113431.db2.gz FTPFIPZZSGOPDJ-IEBWSBKVSA-N 1 3 368.481 2.634 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001553313424 1075280920 /nfs/dbraw/zinc/28/09/20/1075280920.db2.gz FOBCKVOGPHTYAM-UHFFFAOYSA-N 1 3 374.529 2.951 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@@H]3CCC[NH2+]3)C2)N2CCCC2)cc1 ZINC001553436461 1075307411 /nfs/dbraw/zinc/30/74/11/1075307411.db2.gz BSDRNKRIHFJKMC-HKBOAZHASA-N 1 3 370.541 2.915 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CCCCN2C2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC001556103930 1075701126 /nfs/dbraw/zinc/70/11/26/1075701126.db2.gz GQIWOESCWJIKSS-GUDVDZBRSA-N 1 3 365.587 2.822 20 0 FFADHO C[NH+](C)CCc1cccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC001556738949 1075770265 /nfs/dbraw/zinc/77/02/65/1075770265.db2.gz XRWBATXBWWRTEE-NRFANRHFSA-N 1 3 367.493 2.610 20 0 FFADHO CN(CCCN(C)C(=O)c1cccc(CC[NH+](C)C)c1)Cc1ccncc1 ZINC001556885886 1075785132 /nfs/dbraw/zinc/78/51/32/1075785132.db2.gz VOUNFJZROMEMFF-UHFFFAOYSA-N 1 3 368.525 2.780 20 0 FFADHO CC1(C)CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC001558842098 1076087137 /nfs/dbraw/zinc/08/71/37/1076087137.db2.gz NCWBPSFGIKAVPK-UHFFFAOYSA-N 1 3 372.557 2.578 20 0 FFADHO CN(CCc1cccc2c1OC(F)(F)O2)CC[N@H+](C)C1CCN(C)CC1 ZINC001559715659 1076184830 /nfs/dbraw/zinc/18/48/30/1076184830.db2.gz JGNLQKPCOVPLDN-UHFFFAOYSA-N 1 3 369.456 2.508 20 0 FFADHO CN(CCc1cccc2c1OC(F)(F)O2)CC[N@@H+](C)C1CCN(C)CC1 ZINC001559715659 1076184832 /nfs/dbraw/zinc/18/48/32/1076184832.db2.gz JGNLQKPCOVPLDN-UHFFFAOYSA-N 1 3 369.456 2.508 20 0 FFADHO c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001560114498 1076229393 /nfs/dbraw/zinc/22/93/93/1076229393.db2.gz POXILKPCBWJKBV-UHFFFAOYSA-N 1 3 354.502 2.640 20 0 FFADHO CCc1nn(C)c(Cl)c1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC001560325499 1076264384 /nfs/dbraw/zinc/26/43/84/1076264384.db2.gz LREWHMIUIYEEQV-UHFFFAOYSA-N 1 3 364.921 2.909 20 0 FFADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC(F)F ZINC001560395056 1076270004 /nfs/dbraw/zinc/27/00/04/1076270004.db2.gz AOMAXIOJZYQMTE-JKSUJKDBSA-N 1 3 370.440 2.764 20 0 FFADHO Cc1csc2nc(C)c(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)n12 ZINC001560925737 1076310248 /nfs/dbraw/zinc/31/02/48/1076310248.db2.gz SKCAUPBCIXRDSB-SFHVURJKSA-N 1 3 370.522 2.869 20 0 FFADHO Cc1csc2nc(C)c(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)n12 ZINC001560925737 1076310255 /nfs/dbraw/zinc/31/02/55/1076310255.db2.gz SKCAUPBCIXRDSB-SFHVURJKSA-N 1 3 370.522 2.869 20 0 FFADHO COCC[C@H](C[N@@H+]1CCCC[C@@H]1[C@H](C)CN(C)C)NC(=O)OC(C)(C)C ZINC001560947610 1076312456 /nfs/dbraw/zinc/31/24/56/1076312456.db2.gz CQGWLCJDYLFOIV-KZNAEPCWSA-N 1 3 371.566 2.968 20 0 FFADHO COCC[C@H](C[N@H+]1CCCC[C@@H]1[C@H](C)CN(C)C)NC(=O)OC(C)(C)C ZINC001560947610 1076312461 /nfs/dbraw/zinc/31/24/61/1076312461.db2.gz CQGWLCJDYLFOIV-KZNAEPCWSA-N 1 3 371.566 2.968 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)[C@H]1CC[N@H+](C)C1 ZINC001563637899 1076571709 /nfs/dbraw/zinc/57/17/09/1076571709.db2.gz LRDZDRAWCLTLHV-VQTJNVASSA-N 1 3 360.546 2.977 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)[C@H]1CC[N@@H+](C)C1 ZINC001563637899 1076571711 /nfs/dbraw/zinc/57/17/11/1076571711.db2.gz LRDZDRAWCLTLHV-VQTJNVASSA-N 1 3 360.546 2.977 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001563661692 1076574176 /nfs/dbraw/zinc/57/41/76/1076574176.db2.gz IMOHFAOGLDZKPB-ZSYWTGECSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001563661692 1076574180 /nfs/dbraw/zinc/57/41/80/1076574180.db2.gz IMOHFAOGLDZKPB-ZSYWTGECSA-N 1 3 352.567 2.917 20 0 FFADHO C[N@@H+]1CCC[C@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001565155128 1076691350 /nfs/dbraw/zinc/69/13/50/1076691350.db2.gz ZKENCKPHSPQBDT-FQEVSTJZSA-N 1 3 366.509 2.759 20 0 FFADHO C[N@H+]1CCC[C@H]1CNC(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001565155128 1076691351 /nfs/dbraw/zinc/69/13/51/1076691351.db2.gz ZKENCKPHSPQBDT-FQEVSTJZSA-N 1 3 366.509 2.759 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[N@@H+](C(C)C)CC3)C2)cc1 ZINC001565244342 1076702527 /nfs/dbraw/zinc/70/25/27/1076702527.db2.gz FEYRPLIOLOJEHI-FQEVSTJZSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[N@H+](C(C)C)CC3)C2)cc1 ZINC001565244342 1076702533 /nfs/dbraw/zinc/70/25/33/1076702533.db2.gz FEYRPLIOLOJEHI-FQEVSTJZSA-N 1 3 358.530 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C2)cc1 ZINC001565244943 1076702947 /nfs/dbraw/zinc/70/29/47/1076702947.db2.gz OVDTZUCFEBVBGM-HKBOAZHASA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)C2)cc1 ZINC001565244943 1076702951 /nfs/dbraw/zinc/70/29/51/1076702951.db2.gz OVDTZUCFEBVBGM-HKBOAZHASA-N 1 3 370.541 2.695 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1)[NH+]1CCCC1 ZINC001565816088 1076770729 /nfs/dbraw/zinc/77/07/29/1076770729.db2.gz XMSXRTVTHUMTFU-KZNAEPCWSA-N 1 3 364.559 2.781 20 0 FFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccns1)[NH+](CC)CC ZINC001565972605 1076820484 /nfs/dbraw/zinc/82/04/84/1076820484.db2.gz HTMHEHQOYMWEIF-SOLBZPMBSA-N 1 3 366.575 2.980 20 0 FFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001566858986 1076985955 /nfs/dbraw/zinc/98/59/55/1076985955.db2.gz MKCZSYNWGPXASL-ZMMAXQRCSA-N 1 3 365.468 2.614 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)CCc2c(F)cccc2F)CC[N@@H+]1C ZINC001570712843 1077223492 /nfs/dbraw/zinc/22/34/92/1077223492.db2.gz TWAXCIRKZCKMMR-SIXWZSSISA-N 1 3 367.484 2.674 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)CCc2c(F)cccc2F)CC[N@H+]1C ZINC001570712843 1077223495 /nfs/dbraw/zinc/22/34/95/1077223495.db2.gz TWAXCIRKZCKMMR-SIXWZSSISA-N 1 3 367.484 2.674 20 0 FFADHO Cc1nc(CN[C@H](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)c(C)o1 ZINC001570774017 1077229736 /nfs/dbraw/zinc/22/97/36/1077229736.db2.gz AAVZRONSTYOQHN-ZTFGCOKTSA-N 1 3 364.534 2.594 20 0 FFADHO Cc1nc(CN[C@H](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)c(C)o1 ZINC001570774017 1077229739 /nfs/dbraw/zinc/22/97/39/1077229739.db2.gz AAVZRONSTYOQHN-ZTFGCOKTSA-N 1 3 364.534 2.594 20 0 FFADHO C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001589958401 1080903333 /nfs/dbraw/zinc/90/33/33/1080903333.db2.gz WMMOSXDOKWAHQX-ASFAAARLSA-N 1 3 355.490 2.709 20 0 FFADHO C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001589958401 1080903334 /nfs/dbraw/zinc/90/33/34/1080903334.db2.gz WMMOSXDOKWAHQX-ASFAAARLSA-N 1 3 355.490 2.709 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423077273 514030467 /nfs/dbraw/zinc/03/04/67/514030467.db2.gz STXASMDBCILXRZ-USXIJHARSA-N 1 3 355.320 2.850 20 0 FFADHO CN(CC1CC[NH+](C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000103503808 250156910 /nfs/dbraw/zinc/15/69/10/250156910.db2.gz SKOHVMKHOVLYKF-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO COc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420937 250313756 /nfs/dbraw/zinc/31/37/56/250313756.db2.gz HVSYDFHPWOGIDB-FQEVSTJZSA-N 1 3 367.493 2.682 20 0 FFADHO COc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420937 250313761 /nfs/dbraw/zinc/31/37/61/250313761.db2.gz HVSYDFHPWOGIDB-FQEVSTJZSA-N 1 3 367.493 2.682 20 0 FFADHO CN1[C@@H]2CC[C@H]1CCN(C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000173540434 251203138 /nfs/dbraw/zinc/20/31/38/251203138.db2.gz QBAJQEIMYOGBBY-VQTJNVASSA-N 1 3 356.514 2.661 20 0 FFADHO CC[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)N(C)C ZINC000268753130 251374664 /nfs/dbraw/zinc/37/46/64/251374664.db2.gz VWXYTRRGYSCNBC-SFHVURJKSA-N 1 3 367.921 2.640 20 0 FFADHO CC[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N(C)C ZINC000268753130 251374667 /nfs/dbraw/zinc/37/46/67/251374667.db2.gz VWXYTRRGYSCNBC-SFHVURJKSA-N 1 3 367.921 2.640 20 0 FFADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000268827942 251396537 /nfs/dbraw/zinc/39/65/37/251396537.db2.gz PXEWSTSSNNXTOO-IFMALSPDSA-N 1 3 358.574 2.514 20 0 FFADHO C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)N1[C@H](C)CC[C@@H]1C ZINC000268770843 251379366 /nfs/dbraw/zinc/37/93/66/251379366.db2.gz BIRWBMSLLRNCAS-BBWFWOEESA-N 1 3 373.545 2.812 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000272412380 252031495 /nfs/dbraw/zinc/03/14/95/252031495.db2.gz FSEKMGLDFFSHPZ-RXVVDRJESA-N 1 3 370.541 2.695 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000272518300 252058548 /nfs/dbraw/zinc/05/85/48/252058548.db2.gz YTOYSPLNLSMYMG-WOJBJXKFSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272562392 252067752 /nfs/dbraw/zinc/06/77/52/252067752.db2.gz GWJMIXOFKNYPLY-AZUAARDMSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000286089000 257019883 /nfs/dbraw/zinc/01/98/83/257019883.db2.gz SSNUFJJBXVADPP-DNVJHFABSA-N 1 3 371.569 2.907 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000286089000 257019884 /nfs/dbraw/zinc/01/98/84/257019884.db2.gz SSNUFJJBXVADPP-DNVJHFABSA-N 1 3 371.569 2.907 20 0 FFADHO Cn1cc([C@H](O)CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000286176557 257023990 /nfs/dbraw/zinc/02/39/90/257023990.db2.gz QRLCULSUNMSZNY-BDKRGJGYSA-N 1 3 368.525 2.734 20 0 FFADHO Cn1cc([C@H](O)CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000286176557 257023991 /nfs/dbraw/zinc/02/39/91/257023991.db2.gz QRLCULSUNMSZNY-BDKRGJGYSA-N 1 3 368.525 2.734 20 0 FFADHO Cn1cc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000286176557 257023992 /nfs/dbraw/zinc/02/39/92/257023992.db2.gz QRLCULSUNMSZNY-BDKRGJGYSA-N 1 3 368.525 2.734 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000287831381 257118903 /nfs/dbraw/zinc/11/89/03/257118903.db2.gz CWRHQVKFMSUXIQ-DLZDZTESSA-N 1 3 374.529 2.612 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000287831381 257118905 /nfs/dbraw/zinc/11/89/05/257118905.db2.gz CWRHQVKFMSUXIQ-DLZDZTESSA-N 1 3 374.529 2.612 20 0 FFADHO CCCN(CCN1CCCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000288317346 257174807 /nfs/dbraw/zinc/17/48/07/257174807.db2.gz IHMYBIVMTUVTGM-UHFFFAOYSA-N 1 3 373.545 2.815 20 0 FFADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000288877539 257234029 /nfs/dbraw/zinc/23/40/29/257234029.db2.gz ZEPJSNWSQLCRIR-QGZVFWFLSA-N 1 3 361.486 2.670 20 0 FFADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000288877539 257234030 /nfs/dbraw/zinc/23/40/30/257234030.db2.gz ZEPJSNWSQLCRIR-QGZVFWFLSA-N 1 3 361.486 2.670 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cn(C)nc1-c1ccccc1 ZINC000289443282 257281701 /nfs/dbraw/zinc/28/17/01/257281701.db2.gz MDZVAPPPGLORHP-UHFFFAOYSA-N 1 3 355.530 2.545 20 0 FFADHO C[N@H+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)Cc1ccccc1 ZINC000289033809 257249825 /nfs/dbraw/zinc/24/98/25/257249825.db2.gz HEOAJJQODBOYHZ-WOJBJXKFSA-N 1 3 366.461 2.929 20 0 FFADHO C[N@@H+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)Cc1ccccc1 ZINC000289033809 257249826 /nfs/dbraw/zinc/24/98/26/257249826.db2.gz HEOAJJQODBOYHZ-WOJBJXKFSA-N 1 3 366.461 2.929 20 0 FFADHO COc1ccccc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000289806545 257300437 /nfs/dbraw/zinc/30/04/37/257300437.db2.gz NDFFPXQVNXHXKF-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO COc1cc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)cc(OC)c1O ZINC000290346363 257327453 /nfs/dbraw/zinc/32/74/53/257327453.db2.gz LPDDIUWTZICKAI-UHFFFAOYSA-N 1 3 374.481 2.682 20 0 FFADHO CC1CC[NH+](CCC[C@@H](NCC2(CO)COC2)c2ccc(F)cc2)CC1 ZINC000291291582 257395962 /nfs/dbraw/zinc/39/59/62/257395962.db2.gz RUFSJUSXLLUBQR-HXUWFJFHSA-N 1 3 364.505 2.977 20 0 FFADHO CC(C)n1ncc2cc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cnc21 ZINC000333136658 258251706 /nfs/dbraw/zinc/25/17/06/258251706.db2.gz KIJIHPZZHKITJZ-OALUTQOASA-N 1 3 357.502 2.731 20 0 FFADHO COc1cc(OC)c(OC)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000067453040 506887120 /nfs/dbraw/zinc/88/71/20/506887120.db2.gz QZZWDTZVRFPFEF-HZPDHXFCSA-N 1 3 366.502 2.691 20 0 FFADHO COc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000044913452 506901126 /nfs/dbraw/zinc/90/11/26/506901126.db2.gz RVZKJADGWRZHNG-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000045121396 506921346 /nfs/dbraw/zinc/92/13/46/506921346.db2.gz BRUCSGCOGYEMBU-UHFFFAOYSA-N 1 3 358.530 2.745 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)N(C)C)cc1 ZINC000067704766 506981473 /nfs/dbraw/zinc/98/14/73/506981473.db2.gz KQOPGAWEHWHSLR-HXUWFJFHSA-N 1 3 360.546 2.971 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000371325889 512330903 /nfs/dbraw/zinc/33/09/03/512330903.db2.gz GXHAODPKERAOKV-RTWAWAEBSA-N 1 3 359.558 2.676 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000371325889 512330907 /nfs/dbraw/zinc/33/09/07/512330907.db2.gz GXHAODPKERAOKV-RTWAWAEBSA-N 1 3 359.558 2.676 20 0 FFADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068887173 507351065 /nfs/dbraw/zinc/35/10/65/507351065.db2.gz GHSFSTCHYIFWAK-IBGZPJMESA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000047964871 507426350 /nfs/dbraw/zinc/42/63/50/507426350.db2.gz WVVMNABYHOCZBT-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000047964871 507426356 /nfs/dbraw/zinc/42/63/56/507426356.db2.gz WVVMNABYHOCZBT-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000069385227 507479484 /nfs/dbraw/zinc/47/94/84/507479484.db2.gz GXUUHRUJKQICEJ-NRFANRHFSA-N 1 3 370.541 2.921 20 0 FFADHO CC(C)[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000048395060 507517080 /nfs/dbraw/zinc/51/70/80/507517080.db2.gz ADMGCYGUSFITLW-IBGZPJMESA-N 1 3 350.551 2.669 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCCN(C)C2)c2cccs2)CC1 ZINC000072015937 507735842 /nfs/dbraw/zinc/73/58/42/507735842.db2.gz RTGXTAWJKKXVGA-IAGOWNOFSA-N 1 3 364.559 2.915 20 0 FFADHO Cc1ccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051777835 507784311 /nfs/dbraw/zinc/78/43/11/507784311.db2.gz MJCOLJMORRSGRN-QGZVFWFLSA-N 1 3 358.530 2.914 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000107329582 507843998 /nfs/dbraw/zinc/84/39/98/507843998.db2.gz XYDUUZTWFSIVSC-FQEVSTJZSA-N 1 3 358.530 2.825 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)Cc1ccccc1 ZINC000078541310 507881603 /nfs/dbraw/zinc/88/16/03/507881603.db2.gz BZDIHQSJCBIRPE-OAQYLSRUSA-N 1 3 368.525 2.720 20 0 FFADHO O=C(NCCC[NH+]1CCCCC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000078602080 507887823 /nfs/dbraw/zinc/88/78/23/507887823.db2.gz VJBRJCFXUFSVAO-HXUWFJFHSA-N 1 3 358.530 2.999 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000090038698 507903633 /nfs/dbraw/zinc/90/36/33/507903633.db2.gz DFNCHTTUULWAFX-OAQYLSRUSA-N 1 3 351.494 2.625 20 0 FFADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)[C@H](C)C1 ZINC000090468739 507922294 /nfs/dbraw/zinc/92/22/94/507922294.db2.gz NKPYEAYQGQEHOX-YLJYHZDGSA-N 1 3 364.965 2.782 20 0 FFADHO CC[N@H+]1CC[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)[C@H](C)C1 ZINC000090468739 507922296 /nfs/dbraw/zinc/92/22/96/507922296.db2.gz NKPYEAYQGQEHOX-YLJYHZDGSA-N 1 3 364.965 2.782 20 0 FFADHO C(=C/C[NH+]1CCC(n2cccn2)CC1)\CN1CCC(n2cccn2)CC1 ZINC000109006543 507931427 /nfs/dbraw/zinc/93/14/27/507931427.db2.gz PXSHJEBLFTYGOC-OWOJBTEDSA-N 1 3 354.502 2.610 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000073662245 507943375 /nfs/dbraw/zinc/94/33/75/507943375.db2.gz XUTFHQGHVVPCQF-LJQANCHMSA-N 1 3 372.557 2.808 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000073662245 507943378 /nfs/dbraw/zinc/94/33/78/507943378.db2.gz XUTFHQGHVVPCQF-LJQANCHMSA-N 1 3 372.557 2.808 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000073793715 507956666 /nfs/dbraw/zinc/95/66/66/507956666.db2.gz WFBGGTRLYXIPEC-UXHICEINSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000073793715 507956669 /nfs/dbraw/zinc/95/66/69/507956669.db2.gz WFBGGTRLYXIPEC-UXHICEINSA-N 1 3 360.546 2.533 20 0 FFADHO Cc1ccc2c(c1)CCN2C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000091215642 507969183 /nfs/dbraw/zinc/96/91/83/507969183.db2.gz BYZKNUDMACKJGX-UHFFFAOYSA-N 1 3 356.514 2.626 20 0 FFADHO CC[NH+]1CCN(c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)CC1 ZINC000074197809 507996696 /nfs/dbraw/zinc/99/66/96/507996696.db2.gz UTDITDVMGXTDOL-UHFFFAOYSA-N 1 3 370.541 2.529 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000079733483 507997009 /nfs/dbraw/zinc/99/70/09/507997009.db2.gz GHHUENQMHRMJHH-OAQYLSRUSA-N 1 3 368.525 2.720 20 0 FFADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCN1C1CCOCC1 ZINC000091824509 508016244 /nfs/dbraw/zinc/01/62/44/508016244.db2.gz WVOQTTVSZARWHR-OAQYLSRUSA-N 1 3 371.525 2.907 20 0 FFADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000080051055 508029817 /nfs/dbraw/zinc/02/98/17/508029817.db2.gz HFXFEESBXQYBDA-IBGZPJMESA-N 1 3 372.557 2.944 20 0 FFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000074538009 508033259 /nfs/dbraw/zinc/03/32/59/508033259.db2.gz WMKCUCJQWGXIAG-FUHWJXTLSA-N 1 3 364.559 2.868 20 0 FFADHO CC[N@H+](CCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000092488881 508074660 /nfs/dbraw/zinc/07/46/60/508074660.db2.gz WBWUFULEHVCBDU-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CC[N@@H+](CCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000092488881 508074664 /nfs/dbraw/zinc/07/46/64/508074664.db2.gz WBWUFULEHVCBDU-UHFFFAOYSA-N 1 3 373.545 2.814 20 0 FFADHO CN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080665874 508093207 /nfs/dbraw/zinc/09/32/07/508093207.db2.gz CJAXRCKDBXZDTP-NRFANRHFSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC[NH+](C)CC1 ZINC000081022012 508126996 /nfs/dbraw/zinc/12/69/96/508126996.db2.gz JLBNUNAGNKGKPB-UHFFFAOYSA-N 1 3 371.447 2.937 20 0 FFADHO C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C1CC1 ZINC000111856631 508130478 /nfs/dbraw/zinc/13/04/78/508130478.db2.gz WVWBHIWGPOWOEL-UPRUFMODSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C1CC1 ZINC000111856631 508130480 /nfs/dbraw/zinc/13/04/80/508130480.db2.gz WVWBHIWGPOWOEL-UPRUFMODSA-N 1 3 370.541 2.964 20 0 FFADHO COC(=O)c1ccc(OCC[N@H+](C)C[C@H]2CCCN(C)C2)c(Cl)c1 ZINC000075766466 508132955 /nfs/dbraw/zinc/13/29/55/508132955.db2.gz USAVDUOMPCSORF-AWEZNQCLSA-N 1 3 354.878 2.779 20 0 FFADHO COC(=O)c1ccc(OCC[N@@H+](C)C[C@H]2CCCN(C)C2)c(Cl)c1 ZINC000075766466 508132957 /nfs/dbraw/zinc/13/29/57/508132957.db2.gz USAVDUOMPCSORF-AWEZNQCLSA-N 1 3 354.878 2.779 20 0 FFADHO COC(=O)c1ccc(OCC[N@H+](C)C[C@@H]2CCCN(C)C2)c(Cl)c1 ZINC000075766468 508133139 /nfs/dbraw/zinc/13/31/39/508133139.db2.gz USAVDUOMPCSORF-CQSZACIVSA-N 1 3 354.878 2.779 20 0 FFADHO COC(=O)c1ccc(OCC[N@@H+](C)C[C@@H]2CCCN(C)C2)c(Cl)c1 ZINC000075766468 508133142 /nfs/dbraw/zinc/13/31/42/508133142.db2.gz USAVDUOMPCSORF-CQSZACIVSA-N 1 3 354.878 2.779 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076222558 508171511 /nfs/dbraw/zinc/17/15/11/508171511.db2.gz DSOOTDOFYKTUCT-UHFFFAOYSA-N 1 3 355.482 2.983 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369388288 512385692 /nfs/dbraw/zinc/38/56/92/512385692.db2.gz VATYGFWEURXPGS-AABGKKOBSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369388288 512385693 /nfs/dbraw/zinc/38/56/93/512385693.db2.gz VATYGFWEURXPGS-AABGKKOBSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1CN(CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000083027328 508232612 /nfs/dbraw/zinc/23/26/12/508232612.db2.gz CGKFTUDSEWXIAO-OALUTQOASA-N 1 3 373.541 2.902 20 0 FFADHO COc1cc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000083453701 508246565 /nfs/dbraw/zinc/24/65/65/508246565.db2.gz KFKAMNOZHAWIRW-CALCHBBNSA-N 1 3 350.503 2.991 20 0 FFADHO CC(C)[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)N(C)C ZINC000113235418 508253792 /nfs/dbraw/zinc/25/37/92/508253792.db2.gz OXFAMVGTXHGJSH-IEBWSBKVSA-N 1 3 361.530 2.589 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(F)c1 ZINC000077201261 508286545 /nfs/dbraw/zinc/28/65/45/508286545.db2.gz ISNFSGDEQGUQCY-KRWDZBQOSA-N 1 3 354.445 2.845 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(F)cc(F)c1 ZINC000077201261 508286548 /nfs/dbraw/zinc/28/65/48/508286548.db2.gz ISNFSGDEQGUQCY-KRWDZBQOSA-N 1 3 354.445 2.845 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000103205185 508301845 /nfs/dbraw/zinc/30/18/45/508301845.db2.gz AZPLWEPHRJXKBT-JTJHWIPRSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000103205185 508301848 /nfs/dbraw/zinc/30/18/48/508301848.db2.gz AZPLWEPHRJXKBT-JTJHWIPRSA-N 1 3 357.542 2.929 20 0 FFADHO CC[C@H](O)[C@@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000114458713 508316097 /nfs/dbraw/zinc/31/60/97/508316097.db2.gz BXGBFEUCXSWNOU-SFTDATJTSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CC2CCN(C)CC2)C1 ZINC000103512396 508317062 /nfs/dbraw/zinc/31/70/62/508317062.db2.gz MQRMJTHLXNIBJE-QZTJIDSGSA-N 1 3 352.567 2.728 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114829607 508351856 /nfs/dbraw/zinc/35/18/56/508351856.db2.gz FFGCPHYOUGYYEL-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000114829607 508351859 /nfs/dbraw/zinc/35/18/59/508351859.db2.gz FFGCPHYOUGYYEL-PMACEKPBSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000105128646 508362565 /nfs/dbraw/zinc/36/25/65/508362565.db2.gz KPQZNRVXEDBBNU-LJQANCHMSA-N 1 3 372.557 2.854 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000105128646 508362567 /nfs/dbraw/zinc/36/25/67/508362567.db2.gz KPQZNRVXEDBBNU-LJQANCHMSA-N 1 3 372.557 2.854 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129811 508362694 /nfs/dbraw/zinc/36/26/94/508362694.db2.gz SFWCWRJHYPZKOM-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129811 508362697 /nfs/dbraw/zinc/36/26/97/508362697.db2.gz SFWCWRJHYPZKOM-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@@H+]1CCCN(CCCNCc2csc(-c3ccsc3)n2)CC1 ZINC000105476146 508373173 /nfs/dbraw/zinc/37/31/73/508373173.db2.gz KRCQPIYHSNIEKZ-UHFFFAOYSA-N 1 3 350.557 2.989 20 0 FFADHO C[N@H+]1CCCN(CCCNCc2csc(-c3ccsc3)n2)CC1 ZINC000105476146 508373174 /nfs/dbraw/zinc/37/31/74/508373174.db2.gz KRCQPIYHSNIEKZ-UHFFFAOYSA-N 1 3 350.557 2.989 20 0 FFADHO C[C@H]1CCC[C@@](CNC(=O)N(CCN(C)C)Cc2ccco2)([NH+](C)C)C1 ZINC000088505839 508373941 /nfs/dbraw/zinc/37/39/41/508373941.db2.gz OFUUJZGMPIPOBN-FXAWDEMLSA-N 1 3 364.534 2.863 20 0 FFADHO CC(=O)c1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000127468777 508454923 /nfs/dbraw/zinc/45/49/23/508454923.db2.gz NEPIYOPXRQNUHO-UHFFFAOYSA-N 1 3 358.486 2.569 20 0 FFADHO C[C@H](Cc1cccs1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127498350 508459218 /nfs/dbraw/zinc/45/92/18/508459218.db2.gz SVHHNSIXZYYHFQ-OAHLLOKOSA-N 1 3 364.559 2.537 20 0 FFADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(CO)c1 ZINC000122123503 508484767 /nfs/dbraw/zinc/48/47/67/508484767.db2.gz TZAOBECTOXRHBY-KRWDZBQOSA-N 1 3 354.494 2.986 20 0 FFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1cccc(CO)c1 ZINC000122123503 508484769 /nfs/dbraw/zinc/48/47/69/508484769.db2.gz TZAOBECTOXRHBY-KRWDZBQOSA-N 1 3 354.494 2.986 20 0 FFADHO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000134168200 508502330 /nfs/dbraw/zinc/50/23/30/508502330.db2.gz VOGURIIPXSYCGO-KRWDZBQOSA-N 1 3 361.530 2.925 20 0 FFADHO CC1(C)C[C@H]([NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)C(C)(C)O1 ZINC000156953003 508502460 /nfs/dbraw/zinc/50/24/60/508502460.db2.gz FUPRLTYEIQBWAB-OALUTQOASA-N 1 3 373.541 2.820 20 0 FFADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000116545889 508528752 /nfs/dbraw/zinc/52/87/52/508528752.db2.gz NSFUDCPDRHCSBV-IRXDYDNUSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000116545889 508528754 /nfs/dbraw/zinc/52/87/54/508528754.db2.gz NSFUDCPDRHCSBV-IRXDYDNUSA-N 1 3 358.530 2.994 20 0 FFADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000116750571 508554621 /nfs/dbraw/zinc/55/46/21/508554621.db2.gz KUJIQLYDYSYTNF-NRFANRHFSA-N 1 3 372.557 2.532 20 0 FFADHO CCN1CCN(CCC(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC000128525253 508605878 /nfs/dbraw/zinc/60/58/78/508605878.db2.gz XLBALFLUFQTVSN-UHFFFAOYSA-N 1 3 358.530 2.557 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000157877413 508625807 /nfs/dbraw/zinc/62/58/07/508625807.db2.gz SPOBROUDECTLSG-SJORKVTESA-N 1 3 367.559 2.900 20 0 FFADHO CNS(=O)(=O)c1cccc([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000157877413 508625811 /nfs/dbraw/zinc/62/58/11/508625811.db2.gz SPOBROUDECTLSG-SJORKVTESA-N 1 3 367.559 2.900 20 0 FFADHO C[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000158130513 508660697 /nfs/dbraw/zinc/66/06/97/508660697.db2.gz QUIKTGXODLRAGZ-XMSQKQJNSA-N 1 3 355.526 2.542 20 0 FFADHO C[C@@H](Cn1cc(Br)cn1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000158660036 508735799 /nfs/dbraw/zinc/73/57/99/508735799.db2.gz LUMBIWCPCYXLSQ-KFWWJZLASA-N 1 3 357.340 2.992 20 0 FFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000158660036 508735804 /nfs/dbraw/zinc/73/58/04/508735804.db2.gz LUMBIWCPCYXLSQ-KFWWJZLASA-N 1 3 357.340 2.992 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000123881790 508751831 /nfs/dbraw/zinc/75/18/31/508751831.db2.gz NUODYEGDAWAXCD-HXUWFJFHSA-N 1 3 360.546 2.915 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000123881790 508751835 /nfs/dbraw/zinc/75/18/35/508751835.db2.gz NUODYEGDAWAXCD-HXUWFJFHSA-N 1 3 360.546 2.915 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000367265122 512415530 /nfs/dbraw/zinc/41/55/30/512415530.db2.gz SIEATNOPEBVMDH-KURKYZTESA-N 1 3 364.921 2.869 20 0 FFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000367265122 512415533 /nfs/dbraw/zinc/41/55/33/512415533.db2.gz SIEATNOPEBVMDH-KURKYZTESA-N 1 3 364.921 2.869 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000130030260 508788946 /nfs/dbraw/zinc/78/89/46/508788946.db2.gz HGTUNOTZSIEJKT-QZTJIDSGSA-N 1 3 358.530 2.805 20 0 FFADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000159203087 508807179 /nfs/dbraw/zinc/80/71/79/508807179.db2.gz VIESTHUUHNCTBJ-QGZVFWFLSA-N 1 3 359.514 2.965 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000124325688 508815926 /nfs/dbraw/zinc/81/59/26/508815926.db2.gz KVWQKVWDWVIOCK-GOSISDBHSA-N 1 3 361.530 2.725 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000124325688 508815930 /nfs/dbraw/zinc/81/59/30/508815930.db2.gz KVWQKVWDWVIOCK-GOSISDBHSA-N 1 3 361.530 2.725 20 0 FFADHO Cc1ccc(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000124373030 508822279 /nfs/dbraw/zinc/82/22/79/508822279.db2.gz RWEYEOAGGQWOBN-UHFFFAOYSA-N 1 3 373.541 2.747 20 0 FFADHO N=C1Nc2nc3ccccc3n2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000124703277 508872455 /nfs/dbraw/zinc/87/24/55/508872455.db2.gz UOWXFQHTEZRXHW-UHFFFAOYSA-N 1 3 360.465 2.577 20 0 FFADHO CCc1cc(NCCCCN2CCN(CCO)CC2)c2ccccc2[nH+]1 ZINC000125148005 508938614 /nfs/dbraw/zinc/93/86/14/508938614.db2.gz GOBHCRDCHIJSNO-UHFFFAOYSA-N 1 3 356.514 2.599 20 0 FFADHO Cc1coc(-c2ccc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)n1 ZINC000120280358 508964033 /nfs/dbraw/zinc/96/40/33/508964033.db2.gz NFTUKQIQZMTCPD-UHFFFAOYSA-N 1 3 373.501 2.916 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000120344606 508976855 /nfs/dbraw/zinc/97/68/55/508976855.db2.gz KJDFZNKAVHOIDV-UYAOXDASSA-N 1 3 360.546 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000120344606 508976858 /nfs/dbraw/zinc/97/68/58/508976858.db2.gz KJDFZNKAVHOIDV-UYAOXDASSA-N 1 3 360.546 2.784 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000155751091 509064983 /nfs/dbraw/zinc/06/49/83/509064983.db2.gz OJSLJEKJWQFABM-IRXDYDNUSA-N 1 3 373.520 2.996 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161776115 509152329 /nfs/dbraw/zinc/15/23/29/509152329.db2.gz JEQUAAHTRICBAX-MRXNPFEDSA-N 1 3 353.532 2.831 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000195636054 509213678 /nfs/dbraw/zinc/21/36/78/509213678.db2.gz GOEFVEIZWVMFJY-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000195636054 509213685 /nfs/dbraw/zinc/21/36/85/509213685.db2.gz GOEFVEIZWVMFJY-QZTJIDSGSA-N 1 3 352.567 2.870 20 0 FFADHO COCCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000175915693 509213839 /nfs/dbraw/zinc/21/38/39/509213839.db2.gz SKSYMXOXTFNPEW-UHFFFAOYSA-N 1 3 373.497 2.725 20 0 FFADHO CC[NH+](CC)CCSCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000266876914 509236782 /nfs/dbraw/zinc/23/67/82/509236782.db2.gz ZGWNRAWFPCQOBT-UHFFFAOYSA-N 1 3 353.532 2.641 20 0 FFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248385444 509282328 /nfs/dbraw/zinc/28/23/28/509282328.db2.gz IMSJPZBDCFXLHH-HZPDHXFCSA-N 1 3 361.486 2.512 20 0 FFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248385444 509282333 /nfs/dbraw/zinc/28/23/33/509282333.db2.gz IMSJPZBDCFXLHH-HZPDHXFCSA-N 1 3 361.486 2.512 20 0 FFADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248385444 509282337 /nfs/dbraw/zinc/28/23/37/509282337.db2.gz IMSJPZBDCFXLHH-HZPDHXFCSA-N 1 3 361.486 2.512 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248399029 509294678 /nfs/dbraw/zinc/29/46/78/509294678.db2.gz JJKQYSUADHXZAZ-BZSNNMDCSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399029 509294684 /nfs/dbraw/zinc/29/46/84/509294684.db2.gz JJKQYSUADHXZAZ-BZSNNMDCSA-N 1 3 350.551 2.623 20 0 FFADHO OCC[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000248406223 509301678 /nfs/dbraw/zinc/30/16/78/509301678.db2.gz SDAUPUPZPKZAAE-GXRSIYKFSA-N 1 3 358.526 2.666 20 0 FFADHO C[C@H](CCNC(=O)N1CCC[C@@H]1CN1CCCCC1)[NH+]1CCCCC1 ZINC000182691005 509375001 /nfs/dbraw/zinc/37/50/01/509375001.db2.gz VTJSYQVRSJSPEU-RTBURBONSA-N 1 3 350.551 2.911 20 0 FFADHO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000164040971 509456661 /nfs/dbraw/zinc/45/66/61/509456661.db2.gz WVICTSNFHBMBQX-MSOLQXFVSA-N 1 3 361.555 2.835 20 0 FFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179474690 509464058 /nfs/dbraw/zinc/46/40/58/509464058.db2.gz MRZQZKCAYNSBJU-XUVXKRRUSA-N 1 3 358.530 2.948 20 0 FFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179474690 509464064 /nfs/dbraw/zinc/46/40/64/509464064.db2.gz MRZQZKCAYNSBJU-XUVXKRRUSA-N 1 3 358.530 2.948 20 0 FFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000236632049 509466878 /nfs/dbraw/zinc/46/68/78/509466878.db2.gz IHAARZWPABIANW-HXUWFJFHSA-N 1 3 360.546 2.662 20 0 FFADHO CC1CCN([C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)c2ccccc2)CC1 ZINC000236660040 509473334 /nfs/dbraw/zinc/47/33/34/509473334.db2.gz SYQVCNBFFNRGSJ-RTBURBONSA-N 1 3 361.555 2.671 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248781135 509480896 /nfs/dbraw/zinc/48/08/96/509480896.db2.gz HZGCBUSCPBAGCE-NRSPTQNISA-N 1 3 372.557 2.784 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248781135 509480905 /nfs/dbraw/zinc/48/09/05/509480905.db2.gz HZGCBUSCPBAGCE-NRSPTQNISA-N 1 3 372.557 2.784 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000248826216 509498738 /nfs/dbraw/zinc/49/87/38/509498738.db2.gz LYJDZWISRSIZBR-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO CCCC[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236786255 509503647 /nfs/dbraw/zinc/50/36/47/509503647.db2.gz UBYMOTAFSHMSAE-SFHVURJKSA-N 1 3 367.921 2.817 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C1CC1 ZINC000176458552 509523955 /nfs/dbraw/zinc/52/39/55/509523955.db2.gz ZDFJUNQZKKHRIC-YJBOKZPZSA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C1CC1 ZINC000176458552 509523958 /nfs/dbraw/zinc/52/39/58/509523958.db2.gz ZDFJUNQZKKHRIC-YJBOKZPZSA-N 1 3 364.559 2.915 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248897509 509535264 /nfs/dbraw/zinc/53/52/64/509535264.db2.gz UAWBUXVJNXAVJE-HMXCVIKNSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248897509 509535270 /nfs/dbraw/zinc/53/52/70/509535270.db2.gz UAWBUXVJNXAVJE-HMXCVIKNSA-N 1 3 372.557 2.927 20 0 FFADHO CC[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236970345 509543223 /nfs/dbraw/zinc/54/32/23/509543223.db2.gz KMPZABNLQGLCMQ-LEWJYISDSA-N 1 3 351.494 2.682 20 0 FFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000236982568 509545393 /nfs/dbraw/zinc/54/53/93/509545393.db2.gz LKPSDZLXSPUTJJ-ACJLOTCBSA-N 1 3 350.482 2.668 20 0 FFADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237116364 509576078 /nfs/dbraw/zinc/57/60/78/509576078.db2.gz VUFKDGRLDBSEGJ-XIRDDKMYSA-N 1 3 369.431 2.957 20 0 FFADHO Cc1nc2n(n1)C[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036165 509577791 /nfs/dbraw/zinc/57/77/91/509577791.db2.gz SQAXVAFMTZXDQY-HAGHYFMRSA-N 1 3 351.498 2.687 20 0 FFADHO Cc1nc2n(n1)C[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000249036165 509577798 /nfs/dbraw/zinc/57/77/98/509577798.db2.gz SQAXVAFMTZXDQY-HAGHYFMRSA-N 1 3 351.498 2.687 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[NH+](C)C)cc1 ZINC000173411607 509580058 /nfs/dbraw/zinc/58/00/58/509580058.db2.gz YIKQHJUUUYNZLU-UXHICEINSA-N 1 3 356.514 2.507 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176606495 509607855 /nfs/dbraw/zinc/60/78/55/509607855.db2.gz MOZUJSMVGVCZPM-RBUKOAKNSA-N 1 3 364.509 2.772 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)C3(C[NH3+])CCCC3)CC2)cc1 ZINC000237286258 509613444 /nfs/dbraw/zinc/61/34/44/509613444.db2.gz GGTZRLOOTHAXJS-UHFFFAOYSA-N 1 3 359.514 2.543 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000192747654 509625672 /nfs/dbraw/zinc/62/56/72/509625672.db2.gz PAJMUBWGJDCYTE-QFIPXVFZSA-N 1 3 359.558 2.941 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000192747654 509625676 /nfs/dbraw/zinc/62/56/76/509625676.db2.gz PAJMUBWGJDCYTE-QFIPXVFZSA-N 1 3 359.558 2.941 20 0 FFADHO CC(C)[C@@H](CO)[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192753669 509629173 /nfs/dbraw/zinc/62/91/73/509629173.db2.gz ACPVRRSLGXSFKL-JOCHJYFZSA-N 1 3 361.574 2.922 20 0 FFADHO CC(C)[C@@H](CO)[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192753669 509629175 /nfs/dbraw/zinc/62/91/75/509629175.db2.gz ACPVRRSLGXSFKL-JOCHJYFZSA-N 1 3 361.574 2.922 20 0 FFADHO CC[N@@H+]1CC[C@@H](N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000167537075 509635147 /nfs/dbraw/zinc/63/51/47/509635147.db2.gz ZLESGQKETIBUIX-HGHGUNKESA-N 1 3 361.530 2.598 20 0 FFADHO CC[N@H+]1CC[C@@H](N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000167537075 509635152 /nfs/dbraw/zinc/63/51/52/509635152.db2.gz ZLESGQKETIBUIX-HGHGUNKESA-N 1 3 361.530 2.598 20 0 FFADHO CC(C)[NH+]1CCN(CCCN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000192803745 509652863 /nfs/dbraw/zinc/65/28/63/509652863.db2.gz NWPCMRSXQGUQNC-OAQYLSRUSA-N 1 3 373.520 2.654 20 0 FFADHO C[C@H](NC1(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCOCC1)c1ccccc1 ZINC000168962345 509654814 /nfs/dbraw/zinc/65/48/14/509654814.db2.gz NKGCJZAISRTRRZ-UHOSZYNNSA-N 1 3 359.514 2.520 20 0 FFADHO C[C@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000237610089 509689684 /nfs/dbraw/zinc/68/96/84/509689684.db2.gz KOLHTWIZEICZIA-MSOLQXFVSA-N 1 3 367.603 2.880 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000268011252 509716234 /nfs/dbraw/zinc/71/62/34/509716234.db2.gz USKDDEXCWXGAKK-FQEVSTJZSA-N 1 3 361.530 2.759 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@]3(C)CCCC[NH2+]3)CC2)c1 ZINC000237720841 509719409 /nfs/dbraw/zinc/71/94/09/509719409.db2.gz SNAFDXXDECEUES-JOCHJYFZSA-N 1 3 372.557 2.546 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237807423 509739572 /nfs/dbraw/zinc/73/95/72/509739572.db2.gz QGRNCYGEFKNOIC-MJGOQNOKSA-N 1 3 357.523 2.646 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237807423 509739577 /nfs/dbraw/zinc/73/95/77/509739577.db2.gz QGRNCYGEFKNOIC-MJGOQNOKSA-N 1 3 357.523 2.646 20 0 FFADHO [NH3+]C[C@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)c1ccccc1 ZINC000237823513 509742439 /nfs/dbraw/zinc/74/24/39/509742439.db2.gz BEUNJDHBFVJJIF-APWZRJJASA-N 1 3 357.523 2.819 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000249788692 509764255 /nfs/dbraw/zinc/76/42/55/509764255.db2.gz SXNCGZUQWRYEAB-MSOLQXFVSA-N 1 3 350.551 2.624 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000249803767 509766893 /nfs/dbraw/zinc/76/68/93/509766893.db2.gz ZXWVNOANBDCNAJ-IAGOWNOFSA-N 1 3 364.534 2.782 20 0 FFADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000249803767 509766896 /nfs/dbraw/zinc/76/68/96/509766896.db2.gz ZXWVNOANBDCNAJ-IAGOWNOFSA-N 1 3 364.534 2.782 20 0 FFADHO CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000173824540 509799248 /nfs/dbraw/zinc/79/92/48/509799248.db2.gz ICQUNEJDSSRAJT-GUDVDZBRSA-N 1 3 352.567 2.867 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000251644849 509815087 /nfs/dbraw/zinc/81/50/87/509815087.db2.gz IJRSZTBTOFBHRY-VQTJNVASSA-N 1 3 360.546 2.736 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3coc4ccccc34)CC2)CC1 ZINC000265151874 509891059 /nfs/dbraw/zinc/89/10/59/509891059.db2.gz OQLYRFDDQFEJAF-UHFFFAOYSA-N 1 3 370.497 2.791 20 0 FFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCN1CCCN(C)CC1)CC3 ZINC000180467675 509939636 /nfs/dbraw/zinc/93/96/36/509939636.db2.gz PTCFECMRYLAVHZ-GOSISDBHSA-N 1 3 354.542 2.951 20 0 FFADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000171130070 509958674 /nfs/dbraw/zinc/95/86/74/509958674.db2.gz YYJIIASVGVYURJ-HNNXBMFYSA-N 1 3 361.511 2.971 20 0 FFADHO CN(CCCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000174128711 509961844 /nfs/dbraw/zinc/96/18/44/509961844.db2.gz KOQGLLNJKMNEPF-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CN(C[C@H](O)c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258383 509964514 /nfs/dbraw/zinc/96/45/14/509964514.db2.gz WOVHDTUENSJSIZ-NRFANRHFSA-N 1 3 357.473 2.893 20 0 FFADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 ZINC000171153791 509972932 /nfs/dbraw/zinc/97/29/32/509972932.db2.gz LQNMNCWRUSQROP-HXUWFJFHSA-N 1 3 374.529 2.616 20 0 FFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 ZINC000171153791 509972944 /nfs/dbraw/zinc/97/29/44/509972944.db2.gz LQNMNCWRUSQROP-HXUWFJFHSA-N 1 3 374.529 2.616 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174160044 509976527 /nfs/dbraw/zinc/97/65/27/509976527.db2.gz WKLOWUPHKHBLOT-PZJWPPBQSA-N 1 3 370.541 2.951 20 0 FFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000183824053 509993361 /nfs/dbraw/zinc/99/33/61/509993361.db2.gz ZHJNKVWOCSBGST-KRWDZBQOSA-N 1 3 353.551 2.647 20 0 FFADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000193649211 510003793 /nfs/dbraw/zinc/00/37/93/510003793.db2.gz LFMISTGDBXXRHW-ZVZYQTTQSA-N 1 3 369.431 2.698 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000190229819 510017536 /nfs/dbraw/zinc/01/75/36/510017536.db2.gz ANMAXXYJEQBIAE-VQTJNVASSA-N 1 3 358.530 2.949 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N(C)Cc1ccccc1 ZINC000174253219 510025585 /nfs/dbraw/zinc/02/55/85/510025585.db2.gz HDHQVMHXCJIYBT-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CC(C)Oc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261758356 510052641 /nfs/dbraw/zinc/05/26/41/510052641.db2.gz FROJGNCAPMACTK-QUCCMNQESA-N 1 3 359.514 2.554 20 0 FFADHO CC(C)Oc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261758355 510052931 /nfs/dbraw/zinc/05/29/31/510052931.db2.gz FROJGNCAPMACTK-ICSRJNTNSA-N 1 3 359.514 2.554 20 0 FFADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccc1-n1cncn1 ZINC000174316426 510054621 /nfs/dbraw/zinc/05/46/21/510054621.db2.gz ODPPSPZFGNYJNE-QZTJIDSGSA-N 1 3 357.502 2.555 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187123277 510071908 /nfs/dbraw/zinc/07/19/08/510071908.db2.gz QXUKHNXIBLNCGH-GOSISDBHSA-N 1 3 368.525 2.873 20 0 FFADHO CCc1nc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)sc1C ZINC000174356440 510076147 /nfs/dbraw/zinc/07/61/47/510076147.db2.gz FNVCEJLTWHGIFN-HNNXBMFYSA-N 1 3 367.563 2.894 20 0 FFADHO CCc1nc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)sc1C ZINC000174356440 510076153 /nfs/dbraw/zinc/07/61/53/510076153.db2.gz FNVCEJLTWHGIFN-HNNXBMFYSA-N 1 3 367.563 2.894 20 0 FFADHO CN1CC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)[C@H]1c1ccccc1 ZINC000245688513 510085176 /nfs/dbraw/zinc/08/51/76/510085176.db2.gz WRMNNDVTBFFOPZ-NHCUHLMSSA-N 1 3 366.509 2.993 20 0 FFADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)O1 ZINC000261913417 510114864 /nfs/dbraw/zinc/11/48/64/510114864.db2.gz XWGXYKJHWYFNMZ-UXHICEINSA-N 1 3 371.525 2.540 20 0 FFADHO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(OCCN(C)C)cc1 ZINC000268908032 510130546 /nfs/dbraw/zinc/13/05/46/510130546.db2.gz MKNJZRGYLMNOTO-WDSOQIARSA-N 1 3 361.530 2.925 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc3c2NCC3)CC1 ZINC000262011012 510147065 /nfs/dbraw/zinc/14/70/65/510147065.db2.gz VBYFVXRCAPEOBT-UHFFFAOYSA-N 1 3 372.557 2.571 20 0 FFADHO CC(C)OCC[NH+]1CCC(NCc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187278654 510168074 /nfs/dbraw/zinc/16/80/74/510168074.db2.gz LIZPQERDVKGEPD-UHFFFAOYSA-N 1 3 359.514 2.575 20 0 FFADHO CCOc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OCC(C)C ZINC000262094947 510175614 /nfs/dbraw/zinc/17/56/14/510175614.db2.gz HTZZGXDWFGZSHF-LJQANCHMSA-N 1 3 361.530 2.600 20 0 FFADHO CCOc1ccc([C@@H](CC)[NH2+]CC2(O)CCN(C)CC2)cc1OCC ZINC000268991265 510181136 /nfs/dbraw/zinc/18/11/36/510181136.db2.gz MKTGNRDMLJUPQF-QGZVFWFLSA-N 1 3 350.503 2.981 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000245919951 510207294 /nfs/dbraw/zinc/20/72/94/510207294.db2.gz ZXTYQPFWLPLSCA-DLBZAZTESA-N 1 3 366.575 2.942 20 0 FFADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)[N@H+]1CCC[C@H](C)C1 ZINC000245919951 510207296 /nfs/dbraw/zinc/20/72/96/510207296.db2.gz ZXTYQPFWLPLSCA-DLBZAZTESA-N 1 3 366.575 2.942 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265749184 510209051 /nfs/dbraw/zinc/20/90/51/510209051.db2.gz WQOGESZEHKLBJX-SFHVURJKSA-N 1 3 359.514 2.718 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245950822 510225249 /nfs/dbraw/zinc/22/52/49/510225249.db2.gz XAIAJUCOACHIIL-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245950822 510225257 /nfs/dbraw/zinc/22/52/57/510225257.db2.gz XAIAJUCOACHIIL-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000245997863 510243386 /nfs/dbraw/zinc/24/33/86/510243386.db2.gz RMTILEGACHTXRW-HBMCJLEFSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000245997863 510243394 /nfs/dbraw/zinc/24/33/94/510243394.db2.gz RMTILEGACHTXRW-HBMCJLEFSA-N 1 3 370.541 2.949 20 0 FFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000246030067 510257305 /nfs/dbraw/zinc/25/73/05/510257305.db2.gz VWXDTJYADURMHR-PCCBWWKXSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000246030067 510257316 /nfs/dbraw/zinc/25/73/16/510257316.db2.gz VWXDTJYADURMHR-PCCBWWKXSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CN1Cc1ccccc1 ZINC000246046781 510263078 /nfs/dbraw/zinc/26/30/78/510263078.db2.gz XRAHSPOLKMBZJL-BVOGOJNSSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CN1Cc1ccccc1 ZINC000246046781 510263081 /nfs/dbraw/zinc/26/30/81/510263081.db2.gz XRAHSPOLKMBZJL-BVOGOJNSSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000174709267 510263861 /nfs/dbraw/zinc/26/38/61/510263861.db2.gz XJLVEFIHBIAIFL-JBACZVJFSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000174709267 510263868 /nfs/dbraw/zinc/26/38/68/510263868.db2.gz XJLVEFIHBIAIFL-JBACZVJFSA-N 1 3 372.557 2.675 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)[N@H+](C)C1CC1 ZINC000246149013 510320571 /nfs/dbraw/zinc/32/05/71/510320571.db2.gz KCLULIZCJRPENW-IIDMSEBBSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC000246149013 510320578 /nfs/dbraw/zinc/32/05/78/510320578.db2.gz KCLULIZCJRPENW-IIDMSEBBSA-N 1 3 364.559 2.913 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)CCCCCC[NH3+])CC2)c1 ZINC000269289033 510326409 /nfs/dbraw/zinc/32/64/09/510326409.db2.gz JYSILBUBKIHHOS-UHFFFAOYSA-N 1 3 374.573 2.923 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000246162940 510331491 /nfs/dbraw/zinc/33/14/91/510331491.db2.gz KVERNPWQHYYYAC-FJIDUMEYSA-N 1 3 350.551 2.621 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000269305757 510332636 /nfs/dbraw/zinc/33/26/36/510332636.db2.gz SSNTVVMFDAOMID-PMACEKPBSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NCc1ccccc1 ZINC000177942504 510338684 /nfs/dbraw/zinc/33/86/84/510338684.db2.gz MLPMUHCYASSNPK-ZWKOTPCHSA-N 1 3 369.509 2.983 20 0 FFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)Cc1ccccc1 ZINC000262652197 510352238 /nfs/dbraw/zinc/35/22/38/510352238.db2.gz RNWNRBDHNABKJQ-FGZHOGPDSA-N 1 3 365.521 2.927 20 0 FFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)Cc1ccccc1 ZINC000262652197 510352247 /nfs/dbraw/zinc/35/22/47/510352247.db2.gz RNWNRBDHNABKJQ-FGZHOGPDSA-N 1 3 365.521 2.927 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000178034661 510390905 /nfs/dbraw/zinc/39/09/05/510390905.db2.gz ZLLLBSNPWWSRBU-KDURUIRLSA-N 1 3 360.546 2.525 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000171833763 510398541 /nfs/dbraw/zinc/39/85/41/510398541.db2.gz UYAZFTDYUHMZPO-SFHVURJKSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@@H]1CN(CCCCNC(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000178059494 510407690 /nfs/dbraw/zinc/40/76/90/510407690.db2.gz ZPXHYKIOVAEZBO-CALCHBBNSA-N 1 3 362.518 2.759 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000171900335 510437513 /nfs/dbraw/zinc/43/75/13/510437513.db2.gz BXEZMXONPSCCNF-UHFFFAOYSA-N 1 3 372.557 2.866 20 0 FFADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000187938070 510509998 /nfs/dbraw/zinc/50/99/98/510509998.db2.gz NZTXEHSHYVQGDE-MRXNPFEDSA-N 1 3 357.473 2.838 20 0 FFADHO CCC1(CC)[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C[C@@H]1OC ZINC000181670377 510530926 /nfs/dbraw/zinc/53/09/26/510530926.db2.gz TXKURIXAKAYLDX-OALUTQOASA-N 1 3 361.530 2.661 20 0 FFADHO C[C@@H](CCNC(=O)NC1CCN(C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000175225257 510540830 /nfs/dbraw/zinc/54/08/30/510540830.db2.gz ONZFVUMYLQGWFW-KRWDZBQOSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CCNC(=O)NC1CCN(C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175225257 510540838 /nfs/dbraw/zinc/54/08/38/510540838.db2.gz ONZFVUMYLQGWFW-KRWDZBQOSA-N 1 3 358.530 2.823 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000172136042 510561229 /nfs/dbraw/zinc/56/12/29/510561229.db2.gz GAICIEGZOBWQKN-SFHVURJKSA-N 1 3 372.557 2.807 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000172136042 510561239 /nfs/dbraw/zinc/56/12/39/510561239.db2.gz GAICIEGZOBWQKN-SFHVURJKSA-N 1 3 372.557 2.807 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000263275481 510640425 /nfs/dbraw/zinc/64/04/25/510640425.db2.gz QGRNCYGEFKNOIC-IEBWSBKVSA-N 1 3 357.523 2.646 20 0 FFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000263275481 510640431 /nfs/dbraw/zinc/64/04/31/510640431.db2.gz QGRNCYGEFKNOIC-IEBWSBKVSA-N 1 3 357.523 2.646 20 0 FFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000246756259 510655960 /nfs/dbraw/zinc/65/59/60/510655960.db2.gz BPQCRPQKLNLWKM-HOJAQTOUSA-N 1 3 355.526 2.888 20 0 FFADHO CN(CCN(C)C1CC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000185092031 510680358 /nfs/dbraw/zinc/68/03/58/510680358.db2.gz YCTQHRFLSJMYJE-UHFFFAOYSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000195132636 510681405 /nfs/dbraw/zinc/68/14/05/510681405.db2.gz KKFFOWKYGPZQDJ-PKOBYXMFSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000195132636 510681409 /nfs/dbraw/zinc/68/14/09/510681409.db2.gz KKFFOWKYGPZQDJ-PKOBYXMFSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@@H](C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)Cc1ccccc1 ZINC000182058698 510733936 /nfs/dbraw/zinc/73/39/36/510733936.db2.gz DISWHHORENKVTN-GOSISDBHSA-N 1 3 353.510 2.946 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000175727806 510757031 /nfs/dbraw/zinc/75/70/31/510757031.db2.gz TVUYGTCXIKLJDH-NHCUHLMSSA-N 1 3 372.557 2.866 20 0 FFADHO COc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N2CCCC2)cc1 ZINC000195293478 510765644 /nfs/dbraw/zinc/76/56/44/510765644.db2.gz IBMOEPUQSBBNJP-OAQYLSRUSA-N 1 3 371.525 2.823 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000188479878 510788388 /nfs/dbraw/zinc/78/83/88/510788388.db2.gz QQJYKNUUTMFEJE-INIZCTEOSA-N 1 3 352.548 2.868 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000172616011 510821857 /nfs/dbraw/zinc/82/18/57/510821857.db2.gz NIAUQWKFSBXXCT-WIYYLYMNSA-N 1 3 372.557 2.772 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000172616011 510821863 /nfs/dbraw/zinc/82/18/63/510821863.db2.gz NIAUQWKFSBXXCT-WIYYLYMNSA-N 1 3 372.557 2.772 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000247471223 510862096 /nfs/dbraw/zinc/86/20/96/510862096.db2.gz GZBQMQORYQKGDV-NXEWRWPSSA-N 1 3 356.514 2.575 20 0 FFADHO CN1CCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000247471223 510862097 /nfs/dbraw/zinc/86/20/97/510862097.db2.gz GZBQMQORYQKGDV-NXEWRWPSSA-N 1 3 356.514 2.575 20 0 FFADHO CN1CCN(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1(C)C ZINC000282338902 510936895 /nfs/dbraw/zinc/93/68/95/510936895.db2.gz MAYQSCRLEYDITO-UHFFFAOYSA-N 1 3 367.921 2.617 20 0 FFADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000294072982 510946848 /nfs/dbraw/zinc/94/68/48/510946848.db2.gz MVRIHKNFCNDXME-UHFFFAOYSA-N 1 3 357.502 2.929 20 0 FFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000294072982 510946850 /nfs/dbraw/zinc/94/68/50/510946850.db2.gz MVRIHKNFCNDXME-UHFFFAOYSA-N 1 3 357.502 2.929 20 0 FFADHO Cc1ccc(NC(=O)N2CCN(CC3CC[NH2+]CC3)CC2)cc1Cl ZINC000297478788 510961393 /nfs/dbraw/zinc/96/13/93/510961393.db2.gz SBIQYAQCHAPNQK-UHFFFAOYSA-N 1 3 350.894 2.798 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000297631283 511015607 /nfs/dbraw/zinc/01/56/07/511015607.db2.gz URCFBBNUOODLPX-HQSKLWIPSA-N 1 3 364.921 2.867 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000297631283 511015609 /nfs/dbraw/zinc/01/56/09/511015609.db2.gz URCFBBNUOODLPX-HQSKLWIPSA-N 1 3 364.921 2.867 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)CC1 ZINC000270961380 511038657 /nfs/dbraw/zinc/03/86/57/511038657.db2.gz VDALAWOPSAGONI-UHFFFAOYSA-N 1 3 372.557 2.530 20 0 FFADHO CC(C)N1CCN(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000271010860 511055763 /nfs/dbraw/zinc/05/57/63/511055763.db2.gz ZRLFLHZREKHUNY-UHFFFAOYSA-N 1 3 357.542 2.654 20 0 FFADHO O=C(Nc1cnc2c(c1)CNCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000362273325 511159443 /nfs/dbraw/zinc/15/94/43/511159443.db2.gz ALXYQAJNUVDGDD-UHFFFAOYSA-N 1 3 350.466 2.578 20 0 FFADHO COCCCNC(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291443425 511199640 /nfs/dbraw/zinc/19/96/40/511199640.db2.gz KWESHSBYXVKDIH-IBGZPJMESA-N 1 3 373.541 2.516 20 0 FFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279762511 511205559 /nfs/dbraw/zinc/20/55/59/511205559.db2.gz FAHOYRUJKBFYPB-HXUWFJFHSA-N 1 3 356.514 2.773 20 0 FFADHO O=C(Nc1ccc2c(c1F)CCNC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000333348442 511212253 /nfs/dbraw/zinc/21/22/53/511212253.db2.gz RBWLSIJAXTUAHF-UHFFFAOYSA-N 1 3 360.477 3.000 20 0 FFADHO CN(C)CCOc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000365082479 511246645 /nfs/dbraw/zinc/24/66/45/511246645.db2.gz MBEKJKSDUWTWIG-UHFFFAOYSA-N 1 3 356.470 2.605 20 0 FFADHO COc1cc(OC)c(CNC2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC000298359815 511258313 /nfs/dbraw/zinc/25/83/13/511258313.db2.gz KCQDBDRBWFEXLV-UHFFFAOYSA-N 1 3 357.454 2.866 20 0 FFADHO O=C(NC1CC1)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298460771 511292409 /nfs/dbraw/zinc/29/24/09/511292409.db2.gz OGOLNKJDGQRWLL-UHFFFAOYSA-N 1 3 350.466 2.732 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000363062741 511329540 /nfs/dbraw/zinc/32/95/40/511329540.db2.gz NTKCCVVIDGOAPQ-IBGZPJMESA-N 1 3 365.562 2.792 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000363062741 511329547 /nfs/dbraw/zinc/32/95/47/511329547.db2.gz NTKCCVVIDGOAPQ-IBGZPJMESA-N 1 3 365.562 2.792 20 0 FFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCC1=CCN(C)CC1 ZINC000271828719 511340483 /nfs/dbraw/zinc/34/04/83/511340483.db2.gz DSGQVFWXJBUFCG-ROUUACIJSA-N 1 3 370.541 2.704 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc1 ZINC000271906083 511366008 /nfs/dbraw/zinc/36/60/08/511366008.db2.gz WRHCJWKZRXZWFL-MRXNPFEDSA-N 1 3 365.543 2.630 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000271906083 511366014 /nfs/dbraw/zinc/36/60/14/511366014.db2.gz WRHCJWKZRXZWFL-MRXNPFEDSA-N 1 3 365.543 2.630 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC([NH3+])CC2)c2cccs2)CC1 ZINC000333894668 511385011 /nfs/dbraw/zinc/38/50/11/511385011.db2.gz HPUGTGVVQCNANA-MRXNPFEDSA-N 1 3 350.532 2.654 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NCC1=CCN(C)CC1 ZINC000272049883 511414050 /nfs/dbraw/zinc/41/40/50/511414050.db2.gz ZFLAWDKHSFFFGI-UHFFFAOYSA-N 1 3 360.502 2.791 20 0 FFADHO Cc1noc(C2CCC([NH2+]Cc3ccccc3CN3CC[C@@H](O)C3)CC2)n1 ZINC000292010828 511429598 /nfs/dbraw/zinc/42/95/98/511429598.db2.gz BLVOLSLAYOHIFB-RRWXTXHCSA-N 1 3 370.497 2.761 20 0 FFADHO CN1CC=C(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000272097463 511430441 /nfs/dbraw/zinc/43/04/41/511430441.db2.gz ZDCKIIFKGZVVQJ-UHFFFAOYSA-N 1 3 372.513 2.935 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2=CCN(C)CC2)C1 ZINC000272135347 511442820 /nfs/dbraw/zinc/44/28/20/511442820.db2.gz XHEODHGQEYQFRQ-SFHVURJKSA-N 1 3 370.541 2.980 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2=CCN(C)CC2)C1 ZINC000272135347 511442825 /nfs/dbraw/zinc/44/28/25/511442825.db2.gz XHEODHGQEYQFRQ-SFHVURJKSA-N 1 3 370.541 2.980 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363250100 511444248 /nfs/dbraw/zinc/44/42/48/511444248.db2.gz IUSPYWZVSWLCRV-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363250100 511444251 /nfs/dbraw/zinc/44/42/51/511444251.db2.gz IUSPYWZVSWLCRV-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO c1ccc(CN2CCCO[C@H](CN3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000284150377 511623654 /nfs/dbraw/zinc/62/36/54/511623654.db2.gz PKSVUTTWROOIAA-YADHBBJMSA-N 1 3 357.542 2.838 20 0 FFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)[C@H]1C ZINC000280916672 511651378 /nfs/dbraw/zinc/65/13/78/511651378.db2.gz PLHAYXZOALVXBH-FIKGOQFSSA-N 1 3 374.525 2.711 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000292778833 511716388 /nfs/dbraw/zinc/71/63/88/511716388.db2.gz YXGSOOYDBCKVEP-NJAFHUGGSA-N 1 3 374.447 2.911 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000292778833 511716392 /nfs/dbraw/zinc/71/63/92/511716392.db2.gz YXGSOOYDBCKVEP-NJAFHUGGSA-N 1 3 374.447 2.911 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000303249771 511729963 /nfs/dbraw/zinc/72/99/63/511729963.db2.gz MUPHPFNBTQYBJX-FXAWDEMLSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000303249771 511729964 /nfs/dbraw/zinc/72/99/64/511729964.db2.gz MUPHPFNBTQYBJX-FXAWDEMLSA-N 1 3 358.530 2.914 20 0 FFADHO O=C(NC1CC[NH+](C2CCC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000296436772 511742024 /nfs/dbraw/zinc/74/20/24/511742024.db2.gz UJBRJALYUDLXOD-HXUWFJFHSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(OCc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)[nH]1 ZINC000296443999 511744461 /nfs/dbraw/zinc/74/44/61/511744461.db2.gz NWQYTVPEOQKJRF-KRWDZBQOSA-N 1 3 353.466 2.946 20 0 FFADHO NC(=O)c1ccccc1N1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000363779651 511763008 /nfs/dbraw/zinc/76/30/08/511763008.db2.gz ATKHRYKKFCFMMK-SFHVURJKSA-N 1 3 370.541 2.751 20 0 FFADHO c1ccc(CN2CCO[C@@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000312588474 511786123 /nfs/dbraw/zinc/78/61/23/511786123.db2.gz WVWNPLDXRJDWEX-QFIPXVFZSA-N 1 3 366.509 2.541 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000312646784 511786469 /nfs/dbraw/zinc/78/64/69/511786469.db2.gz FAADYFJWGHIPHS-TXXUCJGISA-N 1 3 373.541 2.546 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000312646784 511786477 /nfs/dbraw/zinc/78/64/77/511786477.db2.gz FAADYFJWGHIPHS-TXXUCJGISA-N 1 3 373.541 2.546 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363922357 511851952 /nfs/dbraw/zinc/85/19/52/511851952.db2.gz OJPACAMEFPSNRH-ARFHVFGLSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363922357 511851958 /nfs/dbraw/zinc/85/19/58/511851958.db2.gz OJPACAMEFPSNRH-ARFHVFGLSA-N 1 3 361.486 2.637 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000274495521 511855032 /nfs/dbraw/zinc/85/50/32/511855032.db2.gz GSFRKMOUQJYPTN-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000274495521 511855037 /nfs/dbraw/zinc/85/50/37/511855037.db2.gz GSFRKMOUQJYPTN-YLJYHZDGSA-N 1 3 358.530 2.633 20 0 FFADHO C[NH+](C)[C@@H](CNC(=O)CN[C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000274644925 511897381 /nfs/dbraw/zinc/89/73/81/511897381.db2.gz LTKAAVFISHACLA-RTWAWAEBSA-N 1 3 369.509 2.509 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274747233 511929105 /nfs/dbraw/zinc/92/91/05/511929105.db2.gz GRQIXZGTFFFMSW-KCZVDYSFSA-N 1 3 358.574 2.513 20 0 FFADHO O=C1CC[C@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCN1 ZINC000296903401 511943235 /nfs/dbraw/zinc/94/32/35/511943235.db2.gz ZGKQFXWSUMNPHX-HBMCJLEFSA-N 1 3 355.526 2.889 20 0 FFADHO O=C1CC[C@H](CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCN1 ZINC000296903401 511943239 /nfs/dbraw/zinc/94/32/39/511943239.db2.gz ZGKQFXWSUMNPHX-HBMCJLEFSA-N 1 3 355.526 2.889 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000296940168 511957925 /nfs/dbraw/zinc/95/79/25/511957925.db2.gz GVQJZIJQLZUQNE-RAFMOHDBSA-N 1 3 358.530 2.994 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000296940168 511957932 /nfs/dbraw/zinc/95/79/32/511957932.db2.gz GVQJZIJQLZUQNE-RAFMOHDBSA-N 1 3 358.530 2.994 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274936582 511993134 /nfs/dbraw/zinc/99/31/34/511993134.db2.gz SDDQTUQKTGGAFX-MQSCRBSSSA-N 1 3 372.601 2.760 20 0 FFADHO COCCCN1CCC([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000274960007 511999379 /nfs/dbraw/zinc/99/93/79/511999379.db2.gz WKMDSHJUOOODNO-TZIWHRDSSA-N 1 3 359.558 2.988 20 0 FFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000364187774 512008762 /nfs/dbraw/zinc/00/87/62/512008762.db2.gz CVAAAHGQAQQXBK-TZIWHRDSSA-N 1 3 358.574 2.655 20 0 FFADHO CN(Cc1ccccc1)C1CCC([NH2+]CC2(S(C)(=O)=O)CCC2)CC1 ZINC000285178836 512028469 /nfs/dbraw/zinc/02/84/69/512028469.db2.gz NEUUKBHKTBVSFA-UHFFFAOYSA-N 1 3 364.555 2.987 20 0 FFADHO CO[C@@]1(C)CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000366457444 512034127 /nfs/dbraw/zinc/03/41/27/512034127.db2.gz KRZAIBBCACGNCW-QFIPXVFZSA-N 1 3 373.541 2.790 20 0 FFADHO CO[C@]1(C)CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000366457443 512034445 /nfs/dbraw/zinc/03/44/45/512034445.db2.gz KRZAIBBCACGNCW-JOCHJYFZSA-N 1 3 373.541 2.790 20 0 FFADHO OCCCN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000297163588 512044658 /nfs/dbraw/zinc/04/46/58/512044658.db2.gz CYMFUXLLGSPYEK-YUMYIRISSA-N 1 3 357.542 2.618 20 0 FFADHO OCCCN1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000297163588 512044662 /nfs/dbraw/zinc/04/46/62/512044662.db2.gz CYMFUXLLGSPYEK-YUMYIRISSA-N 1 3 357.542 2.618 20 0 FFADHO OCCCN1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000297163588 512044669 /nfs/dbraw/zinc/04/46/69/512044669.db2.gz CYMFUXLLGSPYEK-YUMYIRISSA-N 1 3 357.542 2.618 20 0 FFADHO Cc1cc([C@H](C)NCCCC[NH+]2CCN(c3ccccc3)CC2)nn1C ZINC000282021458 512049174 /nfs/dbraw/zinc/04/91/74/512049174.db2.gz DYXADHFXSFNPJA-IBGZPJMESA-N 1 3 355.530 2.982 20 0 FFADHO CCC1(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CCN(Cc2ccccc2)CC1 ZINC000360059670 512069063 /nfs/dbraw/zinc/06/90/63/512069063.db2.gz OMLYPHUHIIWAKK-LJQANCHMSA-N 1 3 364.555 2.846 20 0 FFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282120946 512081947 /nfs/dbraw/zinc/08/19/47/512081947.db2.gz ASRVRZMUFQFYSN-IRXDYDNUSA-N 1 3 363.546 2.811 20 0 FFADHO CC(C)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCCC1 ZINC000411143517 512488797 /nfs/dbraw/zinc/48/87/97/512488797.db2.gz IJVZPRQIARCFGS-QGZVFWFLSA-N 1 3 353.576 2.585 20 0 FFADHO CSCC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)N(C)C ZINC000367479603 512522173 /nfs/dbraw/zinc/52/21/73/512522173.db2.gz DKPXNGLNSQGRKC-WDSOQIARSA-N 1 3 363.571 2.697 20 0 FFADHO CN(CCc1cncs1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000411303674 512572249 /nfs/dbraw/zinc/57/22/49/512572249.db2.gz AXDIMWWJMXTOEH-UHFFFAOYSA-N 1 3 350.576 2.814 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000375966159 512592858 /nfs/dbraw/zinc/59/28/58/512592858.db2.gz WYEINEOHLXHNRC-QFIPXVFZSA-N 1 3 363.505 2.902 20 0 FFADHO COc1c(C)cnc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000371835076 512596199 /nfs/dbraw/zinc/59/61/99/512596199.db2.gz PZWARSWKDLPJTN-UHFFFAOYSA-N 1 3 360.546 2.557 20 0 FFADHO C[C@@H]1[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1c1ccccc1 ZINC000369877874 512660851 /nfs/dbraw/zinc/66/08/51/512660851.db2.gz MEYRASZPROIKFK-ZLGUVYLKSA-N 1 3 355.526 2.711 20 0 FFADHO CCO[C@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000411553366 512685783 /nfs/dbraw/zinc/68/57/83/512685783.db2.gz RMGJZBMRXVGXLC-MSOLQXFVSA-N 1 3 353.551 2.549 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CC[NH+](C)CC1 ZINC000370129078 512782154 /nfs/dbraw/zinc/78/21/54/512782154.db2.gz KUWIRTHRMNCXFL-PXNSSMCTSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000368403084 512932460 /nfs/dbraw/zinc/93/24/60/512932460.db2.gz QFMDSILRROSBCY-YLJYHZDGSA-N 1 3 373.541 2.790 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)CC[C@H]1N1CCN(C)CC1 ZINC000368403084 512932461 /nfs/dbraw/zinc/93/24/61/512932461.db2.gz QFMDSILRROSBCY-YLJYHZDGSA-N 1 3 373.541 2.790 20 0 FFADHO O=C1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H]2CCCCN12 ZINC000394433076 512936376 /nfs/dbraw/zinc/93/63/76/512936376.db2.gz YMUZMOCFIOPAHP-TXVWBRJLSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H]2CCCCN12 ZINC000394433076 512936379 /nfs/dbraw/zinc/93/63/79/512936379.db2.gz YMUZMOCFIOPAHP-TXVWBRJLSA-N 1 3 353.510 2.640 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@@H]2CCCCN12 ZINC000394433076 512936383 /nfs/dbraw/zinc/93/63/83/512936383.db2.gz YMUZMOCFIOPAHP-TXVWBRJLSA-N 1 3 353.510 2.640 20 0 FFADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000376694405 512944925 /nfs/dbraw/zinc/94/49/25/512944925.db2.gz HCXVTTAZDSJJTG-NRFANRHFSA-N 1 3 373.541 2.706 20 0 FFADHO O=[N+]([O-])c1ccc(CC[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397559065 512947593 /nfs/dbraw/zinc/94/75/93/512947593.db2.gz SHLNCPNEEJIWMB-UHFFFAOYSA-N 1 3 369.465 2.754 20 0 FFADHO COc1ccc(OC)c(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397658772 512949438 /nfs/dbraw/zinc/94/94/38/512949438.db2.gz ZDXLGDXXYLKHPL-UHFFFAOYSA-N 1 3 370.493 2.821 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000398057430 512953225 /nfs/dbraw/zinc/95/32/25/512953225.db2.gz LQCRESJJQSYERP-YYWHXJBOSA-N 1 3 351.494 2.583 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000398057430 512953228 /nfs/dbraw/zinc/95/32/28/512953228.db2.gz LQCRESJJQSYERP-YYWHXJBOSA-N 1 3 351.494 2.583 20 0 FFADHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@H]2CCC[C@@H]21 ZINC000368616174 513027132 /nfs/dbraw/zinc/02/71/32/513027132.db2.gz SAKWBKLIRREKPT-FYQPLNBISA-N 1 3 357.498 2.767 20 0 FFADHO C[C@H]1C[N@H+](CCCNC(=O)c2cccc(CN3CCCCC3)c2)CCCO1 ZINC000412308979 513033867 /nfs/dbraw/zinc/03/38/67/513033867.db2.gz URUMEOVHBZQKAF-IBGZPJMESA-N 1 3 373.541 2.903 20 0 FFADHO C[C@H]1C[N@@H+](CCCNC(=O)c2cccc(CN3CCCCC3)c2)CCCO1 ZINC000412308979 513033871 /nfs/dbraw/zinc/03/38/71/513033871.db2.gz URUMEOVHBZQKAF-IBGZPJMESA-N 1 3 373.541 2.903 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000370710432 513065091 /nfs/dbraw/zinc/06/50/91/513065091.db2.gz UAPYGRPVSMPFDP-XLIONFOSSA-N 1 3 357.542 2.858 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1N1CCN(C)CC1 ZINC000370710432 513065095 /nfs/dbraw/zinc/06/50/95/513065095.db2.gz UAPYGRPVSMPFDP-XLIONFOSSA-N 1 3 357.542 2.858 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N(C3CC3)C3CC[NH2+]CC3)cc2)CC1 ZINC000370790096 513101379 /nfs/dbraw/zinc/10/13/79/513101379.db2.gz YWIUJWUMUHMXJZ-UHFFFAOYSA-N 1 3 370.541 2.574 20 0 FFADHO Cc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(OCCN(C)C)c1 ZINC000415202206 513151349 /nfs/dbraw/zinc/15/13/49/513151349.db2.gz HRJPXOUBHLSSNG-FQEVSTJZSA-N 1 3 360.502 2.543 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000445974426 513156543 /nfs/dbraw/zinc/15/65/43/513156543.db2.gz LWXGKYKISHQWRX-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000428695304 513166196 /nfs/dbraw/zinc/16/61/96/513166196.db2.gz VWLFQBJOWLFEQS-AYWYSENESA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN1Cc1ccccc1 ZINC000428695304 513166200 /nfs/dbraw/zinc/16/62/00/513166200.db2.gz VWLFQBJOWLFEQS-AYWYSENESA-N 1 3 370.541 2.966 20 0 FFADHO CCCN(C(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000417693862 513166505 /nfs/dbraw/zinc/16/65/05/513166505.db2.gz RABRLFQGUCWAIN-XLIONFOSSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000417698362 513169325 /nfs/dbraw/zinc/16/93/25/513169325.db2.gz XTPVMCJGFUCSEQ-ZWKOTPCHSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446141413 513194908 /nfs/dbraw/zinc/19/49/08/513194908.db2.gz YJALGLGWVIVGBN-PKOBYXMFSA-N 1 3 358.530 2.948 20 0 FFADHO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415310185 513197583 /nfs/dbraw/zinc/19/75/83/513197583.db2.gz OKSBQBRHBPYRGC-UHFFFAOYSA-N 1 3 362.518 3.000 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417795125 513211687 /nfs/dbraw/zinc/21/16/87/513211687.db2.gz NUFILTRJHATUSZ-UYAOXDASSA-N 1 3 358.530 2.813 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417795125 513211690 /nfs/dbraw/zinc/21/16/90/513211690.db2.gz NUFILTRJHATUSZ-UYAOXDASSA-N 1 3 358.530 2.813 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446263085 513221719 /nfs/dbraw/zinc/22/17/19/513221719.db2.gz SWCYVJWIBFLVNU-XQBPLPMBSA-N 1 3 373.541 2.677 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417831968 513226122 /nfs/dbraw/zinc/22/61/22/513226122.db2.gz SQNFYPQVHHHETE-CBQOVEMMSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417834335 513227578 /nfs/dbraw/zinc/22/75/78/513227578.db2.gz UWOPPJLKPUCBBM-LCLWPZTBSA-N 1 3 358.530 2.666 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000446292437 513228890 /nfs/dbraw/zinc/22/88/90/513228890.db2.gz RHSDMHCOMAOOOD-JQVVWYNYSA-N 1 3 371.525 2.796 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000428963431 513234789 /nfs/dbraw/zinc/23/47/89/513234789.db2.gz MORUJOWTEHMDHU-NEWSRXKRSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000428963431 513234797 /nfs/dbraw/zinc/23/47/97/513234797.db2.gz MORUJOWTEHMDHU-NEWSRXKRSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000417850950 513237597 /nfs/dbraw/zinc/23/75/97/513237597.db2.gz YDCUZOOHROPCGA-GSEOLPGOSA-N 1 3 358.530 2.856 20 0 FFADHO CCCN(C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417880035 513251746 /nfs/dbraw/zinc/25/17/46/513251746.db2.gz SFKJEMCTMLBGBX-MJGOQNOKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417888864 513257240 /nfs/dbraw/zinc/25/72/40/513257240.db2.gz JCWDRLOIYKVCQW-MUPNANLLSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417888864 513257246 /nfs/dbraw/zinc/25/72/46/513257246.db2.gz JCWDRLOIYKVCQW-MUPNANLLSA-N 1 3 358.530 2.535 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000417912588 513273328 /nfs/dbraw/zinc/27/33/28/513273328.db2.gz OOWKOSXLJGGASY-PXNSSMCTSA-N 1 3 360.546 2.916 20 0 FFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000417912588 513273337 /nfs/dbraw/zinc/27/33/37/513273337.db2.gz OOWKOSXLJGGASY-PXNSSMCTSA-N 1 3 360.546 2.916 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)[C@@H]1c1ccccc1 ZINC000417943325 513294803 /nfs/dbraw/zinc/29/48/03/513294803.db2.gz OWBMNLKZKPEQHJ-SLFFLAALSA-N 1 3 370.541 2.851 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434357056 513299350 /nfs/dbraw/zinc/29/93/50/513299350.db2.gz JCZQUGLYLBCGHQ-LJQANCHMSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000417965164 513307629 /nfs/dbraw/zinc/30/76/29/513307629.db2.gz KNTAYQQSUHLGKB-SFTDATJTSA-N 1 3 351.494 2.871 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418024832 513339294 /nfs/dbraw/zinc/33/92/94/513339294.db2.gz CWAMPYQLMKYBGD-PMACEKPBSA-N 1 3 360.546 2.974 20 0 FFADHO C[C@]1(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)CCCN1Cc1ccccc1 ZINC000418039310 513347557 /nfs/dbraw/zinc/34/75/57/513347557.db2.gz GUBQQXXAMPZSCH-OAQYLSRUSA-N 1 3 370.541 2.826 20 0 FFADHO CN(C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418041102 513349648 /nfs/dbraw/zinc/34/96/48/513349648.db2.gz JWUHOOBUVQFOCB-XQXKNUKBSA-N 1 3 370.541 2.966 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(Br)cc1 ZINC000429418317 513371485 /nfs/dbraw/zinc/37/14/85/513371485.db2.gz NEZBFEYFDGOVPK-SZMVWBNQSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(Br)cc1 ZINC000429418317 513371493 /nfs/dbraw/zinc/37/14/93/513371493.db2.gz NEZBFEYFDGOVPK-SZMVWBNQSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(Br)cc1 ZINC000429418315 513371888 /nfs/dbraw/zinc/37/18/88/513371888.db2.gz NEZBFEYFDGOVPK-JQHSSLGASA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(Br)cc1 ZINC000429418315 513371891 /nfs/dbraw/zinc/37/18/91/513371891.db2.gz NEZBFEYFDGOVPK-JQHSSLGASA-N 1 3 367.331 2.817 20 0 FFADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418103003 513373847 /nfs/dbraw/zinc/37/38/47/513373847.db2.gz IESRKFUMUNOXTM-PWRODBHTSA-N 1 3 370.541 2.540 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000418146953 513391579 /nfs/dbraw/zinc/39/15/79/513391579.db2.gz PTTWFULWKAQIAV-SLFFLAALSA-N 1 3 358.530 2.714 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418155553 513395486 /nfs/dbraw/zinc/39/54/86/513395486.db2.gz LXACAOGPTFRECO-UFYCRDLUSA-N 1 3 370.541 2.538 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418159356 513396661 /nfs/dbraw/zinc/39/66/61/513396661.db2.gz ABKHVLSZBGKCEW-IAGOWNOFSA-N 1 3 352.910 2.726 20 0 FFADHO C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418161616 513398129 /nfs/dbraw/zinc/39/81/29/513398129.db2.gz BZWPEKIYMRIWQB-VRXWPRPYSA-N 1 3 366.509 2.814 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418162465 513399505 /nfs/dbraw/zinc/39/95/05/513399505.db2.gz UXYZAKGFRSKISV-QRQLOZEOSA-N 1 3 358.530 2.666 20 0 FFADHO COC(=O)CC1(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000440772208 513402600 /nfs/dbraw/zinc/40/26/00/513402600.db2.gz BALGHQIXPPLLAS-IAGOWNOFSA-N 1 3 352.519 2.541 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000418189185 513413317 /nfs/dbraw/zinc/41/33/17/513413317.db2.gz VBYVUIMJBALDNM-SJORKVTESA-N 1 3 352.910 2.759 20 0 FFADHO C[C@H](NC(=O)N(CC[NH3+])Cc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000418189303 513413633 /nfs/dbraw/zinc/41/36/33/513413633.db2.gz VIUHWMLBDLYHNY-PXNSSMCTSA-N 1 3 354.498 2.848 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000418196307 513415903 /nfs/dbraw/zinc/41/59/03/513415903.db2.gz RBUYGHBOJPHSIA-DBVUQKKJSA-N 1 3 360.546 2.928 20 0 FFADHO C[NH2+][C@@H](C)CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415805296 513430301 /nfs/dbraw/zinc/43/03/01/513430301.db2.gz MHOCMHXRXHHBNU-LBPRGKRZSA-N 1 3 354.882 2.542 20 0 FFADHO CC[C@@H]([NH3+])CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415810991 513432712 /nfs/dbraw/zinc/43/27/12/513432712.db2.gz WTLXOHMMIQZVSD-CYBMUJFWSA-N 1 3 354.882 2.672 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000418238111 513436860 /nfs/dbraw/zinc/43/68/60/513436860.db2.gz WWEUZSODJVYLOX-WMZOPIPTSA-N 1 3 364.559 2.843 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000447380349 513458262 /nfs/dbraw/zinc/45/82/62/513458262.db2.gz DLRNZXCEVFKRDW-CALCHBBNSA-N 1 3 350.507 2.616 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000447380349 513458269 /nfs/dbraw/zinc/45/82/69/513458269.db2.gz DLRNZXCEVFKRDW-CALCHBBNSA-N 1 3 350.507 2.616 20 0 FFADHO C[N@H+](CCCNC(=O)Nc1ccc2c(c1)CNCC2)Cc1ccccc1 ZINC000415881223 513461354 /nfs/dbraw/zinc/46/13/54/513461354.db2.gz HRRGPWJCTRXPQT-UHFFFAOYSA-N 1 3 352.482 2.976 20 0 FFADHO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1)CNCC2)Cc1ccccc1 ZINC000415881223 513461357 /nfs/dbraw/zinc/46/13/57/513461357.db2.gz HRRGPWJCTRXPQT-UHFFFAOYSA-N 1 3 352.482 2.976 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@@H+]1C ZINC000441023257 513462933 /nfs/dbraw/zinc/46/29/33/513462933.db2.gz SMIUOSRIZQKBGW-QZTJIDSGSA-N 1 3 350.551 2.815 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000441023257 513462941 /nfs/dbraw/zinc/46/29/41/513462941.db2.gz SMIUOSRIZQKBGW-QZTJIDSGSA-N 1 3 350.551 2.815 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000418325210 513463895 /nfs/dbraw/zinc/46/38/95/513463895.db2.gz JBICGAWXOBFESA-AQNXPRMDSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000418325210 513463912 /nfs/dbraw/zinc/46/39/12/513463912.db2.gz JBICGAWXOBFESA-AQNXPRMDSA-N 1 3 358.530 2.936 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000415896615 513466534 /nfs/dbraw/zinc/46/65/34/513466534.db2.gz OGPRSYMRMONFFH-UZLBHIALSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000415896615 513466541 /nfs/dbraw/zinc/46/65/41/513466541.db2.gz OGPRSYMRMONFFH-UZLBHIALSA-N 1 3 354.498 2.813 20 0 FFADHO CN(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418342747 513473735 /nfs/dbraw/zinc/47/37/35/513473735.db2.gz IZVUVKDSNXTTIL-QUCCMNQESA-N 1 3 358.530 2.682 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000441064705 513474170 /nfs/dbraw/zinc/47/41/70/513474170.db2.gz OQSXDUDKYUPXSP-GVDBMIGSSA-N 1 3 350.551 2.811 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000441064705 513474175 /nfs/dbraw/zinc/47/41/75/513474175.db2.gz OQSXDUDKYUPXSP-GVDBMIGSSA-N 1 3 350.551 2.811 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418346086 513475235 /nfs/dbraw/zinc/47/52/35/513475235.db2.gz PMQFPRKUUPNIHJ-UXHICEINSA-N 1 3 358.530 2.540 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418348180 513477659 /nfs/dbraw/zinc/47/76/59/513477659.db2.gz OFVGCYCSDVWCQN-FPOVZHCZSA-N 1 3 372.557 2.930 20 0 FFADHO C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2OCCN(C)C)c1 ZINC000415924428 513481509 /nfs/dbraw/zinc/48/15/09/513481509.db2.gz YEBHSDMWCSTYIP-UHFFFAOYSA-N 1 3 356.470 2.668 20 0 FFADHO CCC([NH3+])(CC)CNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418421779 513501376 /nfs/dbraw/zinc/50/13/76/513501376.db2.gz BXHCPQYSBYVJHJ-FQEVSTJZSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000415973722 513510972 /nfs/dbraw/zinc/51/09/72/513510972.db2.gz NGESOEILAIGFKN-MRXNPFEDSA-N 1 3 360.502 2.802 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000415973722 513510975 /nfs/dbraw/zinc/51/09/75/513510975.db2.gz NGESOEILAIGFKN-MRXNPFEDSA-N 1 3 360.502 2.802 20 0 FFADHO COc1cc([C@@H](C)NCC2CC[NH+](C3CC3)CC2)ccc1S(C)(=O)=O ZINC000447573610 513513010 /nfs/dbraw/zinc/51/30/10/513513010.db2.gz SLFIHEMDIZCPPE-CQSZACIVSA-N 1 3 366.527 2.624 20 0 FFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000418456368 513518762 /nfs/dbraw/zinc/51/87/62/513518762.db2.gz FTIMLMJHDOLNGB-KRWDZBQOSA-N 1 3 354.498 2.980 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415996895 513528924 /nfs/dbraw/zinc/52/89/24/513528924.db2.gz QLVORNDZTLCDFQ-GJZGRUSLSA-N 1 3 360.424 2.648 20 0 FFADHO O=C(Nc1ccc2c(c1)CNC2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000416011251 513537094 /nfs/dbraw/zinc/53/70/94/513537094.db2.gz PHPMZPPUBTWLOR-BGYRXZFFSA-N 1 3 362.477 2.886 20 0 FFADHO O=C(Nc1ccc2c(c1)CNC2)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000416011251 513537099 /nfs/dbraw/zinc/53/70/99/513537099.db2.gz PHPMZPPUBTWLOR-BGYRXZFFSA-N 1 3 362.477 2.886 20 0 FFADHO CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000416013793 513538455 /nfs/dbraw/zinc/53/84/55/513538455.db2.gz URJRHHUGCPRZCN-HZPDHXFCSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCCN1Cc1ccccc1 ZINC000416025089 513545389 /nfs/dbraw/zinc/54/53/89/513545389.db2.gz GTBVXHJFYNSSRF-DOTOQJQBSA-N 1 3 372.435 2.620 20 0 FFADHO CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416032575 513548803 /nfs/dbraw/zinc/54/88/03/513548803.db2.gz QMCIVIXDTDHNMW-CVEARBPZSA-N 1 3 372.435 2.572 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000418609432 513576655 /nfs/dbraw/zinc/57/66/55/513576655.db2.gz SMGHMBQXEWNSEP-BWPNAZKDSA-N 1 3 358.530 2.821 20 0 FFADHO O=C(NCCC1=CC[NH2+]CC1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418652419 513593177 /nfs/dbraw/zinc/59/31/77/513593177.db2.gz ZRHYZYPCGVAOOP-JOCHJYFZSA-N 1 3 368.525 2.604 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000422139014 513594339 /nfs/dbraw/zinc/59/43/39/513594339.db2.gz KWEBKVSTGHUEOI-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000422139014 513594346 /nfs/dbraw/zinc/59/43/46/513594346.db2.gz KWEBKVSTGHUEOI-HOTGVXAUSA-N 1 3 350.532 2.621 20 0 FFADHO C[C@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418687998 513611982 /nfs/dbraw/zinc/61/19/82/513611982.db2.gz DWWGIJNVBXBOOQ-CQSZACIVSA-N 1 3 356.461 2.556 20 0 FFADHO C[C@@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418687990 513612346 /nfs/dbraw/zinc/61/23/46/513612346.db2.gz DWWGIJNVBXBOOQ-AWEZNQCLSA-N 1 3 356.461 2.556 20 0 FFADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418692332 513616073 /nfs/dbraw/zinc/61/60/73/513616073.db2.gz FOISGGBAVUIRMT-STQMWFEESA-N 1 3 360.424 2.514 20 0 FFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418744540 513634062 /nfs/dbraw/zinc/63/40/62/513634062.db2.gz FDPOYAIRFPQRIX-HKBOAZHASA-N 1 3 370.541 2.682 20 0 FFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418751855 513639651 /nfs/dbraw/zinc/63/96/51/513639651.db2.gz SALXFIOCGMEDRU-QGZVFWFLSA-N 1 3 368.472 2.537 20 0 FFADHO CN(CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435621671 513640431 /nfs/dbraw/zinc/64/04/31/513640431.db2.gz NTVIBWXSQCAMLM-CYBMUJFWSA-N 1 3 372.282 2.991 20 0 FFADHO CN(CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435621672 513641066 /nfs/dbraw/zinc/64/10/66/513641066.db2.gz NTVIBWXSQCAMLM-ZDUSSCGKSA-N 1 3 372.282 2.991 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418780713 513654723 /nfs/dbraw/zinc/65/47/23/513654723.db2.gz YSAHNZDHQHTMRJ-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418796854 513660801 /nfs/dbraw/zinc/66/08/01/513660801.db2.gz RNXVQPHRUYFFJL-VAMGGRTRSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418796006 513661397 /nfs/dbraw/zinc/66/13/97/513661397.db2.gz RBEMSNSNTUMUBF-NJDAHSKKSA-N 1 3 372.557 2.581 20 0 FFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418802327 513662561 /nfs/dbraw/zinc/66/25/61/513662561.db2.gz VUQAGVAQMFZLLR-OKZBNKHCSA-N 1 3 364.578 2.917 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425665600 513689011 /nfs/dbraw/zinc/68/90/11/513689011.db2.gz XOBQTHOBIABNLN-BTHPGYMESA-N 1 3 356.514 2.558 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425665600 513689016 /nfs/dbraw/zinc/68/90/16/513689016.db2.gz XOBQTHOBIABNLN-BTHPGYMESA-N 1 3 356.514 2.558 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000448253618 513718669 /nfs/dbraw/zinc/71/86/69/513718669.db2.gz BLSUUTSBVZBVIP-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000448253618 513718674 /nfs/dbraw/zinc/71/86/74/513718674.db2.gz BLSUUTSBVZBVIP-SFHVURJKSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430684217 513722331 /nfs/dbraw/zinc/72/23/31/513722331.db2.gz ZNYTWMQPFCETDA-JLYLLQBASA-N 1 3 357.498 2.503 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000430756180 513741382 /nfs/dbraw/zinc/74/13/82/513741382.db2.gz BMTHSTKTWITASB-LVCYWYKZSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000430756180 513741388 /nfs/dbraw/zinc/74/13/88/513741388.db2.gz BMTHSTKTWITASB-LVCYWYKZSA-N 1 3 373.541 2.549 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)N(C)C ZINC000425786544 513747723 /nfs/dbraw/zinc/74/77/23/513747723.db2.gz MCMSMAKREZOHFF-BWPNAZKDSA-N 1 3 358.530 2.722 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)N(C)C ZINC000425786544 513747732 /nfs/dbraw/zinc/74/77/32/513747732.db2.gz MCMSMAKREZOHFF-BWPNAZKDSA-N 1 3 358.530 2.722 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000430806594 513753334 /nfs/dbraw/zinc/75/33/34/513753334.db2.gz MGBWAIATUMFFSK-AOIWGVFYSA-N 1 3 357.523 2.990 20 0 FFADHO CN1CCC[C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000430806596 513753505 /nfs/dbraw/zinc/75/35/05/513753505.db2.gz MGBWAIATUMFFSK-ZHALLVOQSA-N 1 3 357.523 2.990 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(Br)cc1F ZINC000442759493 513771435 /nfs/dbraw/zinc/77/14/35/513771435.db2.gz RCQUFODVMRVITR-GHMZBOCLSA-N 1 3 358.255 2.586 20 0 FFADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000430913638 513780330 /nfs/dbraw/zinc/78/03/30/513780330.db2.gz WVNVKCNHWUUUBB-WOJBJXKFSA-N 1 3 361.530 2.583 20 0 FFADHO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431019865 513805712 /nfs/dbraw/zinc/80/57/12/513805712.db2.gz TYIFFXXGVRJNCX-SFHVURJKSA-N 1 3 355.526 2.889 20 0 FFADHO C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000443063068 513858465 /nfs/dbraw/zinc/85/84/65/513858465.db2.gz VNGBEIVBWOUCKE-ZIAGYGMSSA-N 1 3 373.419 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CCN1Cc1ccccc1 ZINC000422607281 513869135 /nfs/dbraw/zinc/86/91/35/513869135.db2.gz TZMBRJJLJDEEGG-IEBWSBKVSA-N 1 3 356.514 2.577 20 0 FFADHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422625184 513879845 /nfs/dbraw/zinc/87/98/45/513879845.db2.gz AVLHCWVDVKLTJM-IHRRRGAJSA-N 1 3 353.894 2.982 20 0 FFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(CN2CCOCC2)c1 ZINC000422688847 513904382 /nfs/dbraw/zinc/90/43/82/513904382.db2.gz DFTBIZXQOIMKCN-XMSQKQJNSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000422688847 513904386 /nfs/dbraw/zinc/90/43/86/513904386.db2.gz DFTBIZXQOIMKCN-XMSQKQJNSA-N 1 3 353.510 2.567 20 0 FFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422700840 513906433 /nfs/dbraw/zinc/90/64/33/513906433.db2.gz CKISCRLQXSLZNJ-MAZHCROVSA-N 1 3 368.403 2.733 20 0 FFADHO Fc1ccc(Br)cc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422705366 513908178 /nfs/dbraw/zinc/90/81/78/513908178.db2.gz RKRWXNCJUUYEFV-BHYGNILZSA-N 1 3 371.294 2.877 20 0 FFADHO CN1CCN(Cc2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422712872 513909662 /nfs/dbraw/zinc/90/96/62/513909662.db2.gz OTJFKCIFBWNMRF-FGZHOGPDSA-N 1 3 350.510 2.668 20 0 FFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422735096 513917548 /nfs/dbraw/zinc/91/75/48/513917548.db2.gz UMONGWHXZBWLHK-HKUYNNGSSA-N 1 3 353.470 2.620 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@]3(C)c3ccccc3)CC2)CC1 ZINC000448835975 513921521 /nfs/dbraw/zinc/92/15/21/513921521.db2.gz OHUAGERIKPHNGE-UNMCSNQZSA-N 1 3 355.526 2.639 20 0 FFADHO CN(CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422766244 513926261 /nfs/dbraw/zinc/92/62/61/513926261.db2.gz RBXKDFSJMCPHQJ-IFMALSPDSA-N 1 3 351.494 2.964 20 0 FFADHO Brc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422768784 513927402 /nfs/dbraw/zinc/92/74/02/513927402.db2.gz UXZSOLDDGAMXIA-YESZJQIVSA-N 1 3 353.304 2.738 20 0 FFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000422787497 513931867 /nfs/dbraw/zinc/93/18/67/513931867.db2.gz MIWMNJAQBVFUJA-UTKZUKDTSA-N 1 3 354.498 2.573 20 0 FFADHO CN(CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(F)(F)F ZINC000422868814 513957466 /nfs/dbraw/zinc/95/74/66/513957466.db2.gz WEGADEQNZDNIPU-RDJZCZTQSA-N 1 3 357.420 2.716 20 0 FFADHO O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422877407 513961240 /nfs/dbraw/zinc/96/12/40/513961240.db2.gz RIVKHVVBXLLAKK-DOIPELPJSA-N 1 3 355.526 2.730 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422883275 513962971 /nfs/dbraw/zinc/96/29/71/513962971.db2.gz QILREIVTLJKPNP-YHYVQYDKSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422883275 513962973 /nfs/dbraw/zinc/96/29/73/513962973.db2.gz QILREIVTLJKPNP-YHYVQYDKSA-N 1 3 357.542 2.918 20 0 FFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422886703 513964500 /nfs/dbraw/zinc/96/45/00/513964500.db2.gz JQCQACZMZHTQEG-LPHOPBHVSA-N 1 3 350.938 2.569 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422888223 513964943 /nfs/dbraw/zinc/96/49/43/513964943.db2.gz CDLCGNXEQMLKJN-YTFSRNRJSA-N 1 3 370.585 2.834 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431685026 513967225 /nfs/dbraw/zinc/96/72/25/513967225.db2.gz IUFKISVSWVFNRF-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000431685026 513967231 /nfs/dbraw/zinc/96/72/31/513967231.db2.gz IUFKISVSWVFNRF-GGPKGHCWSA-N 1 3 358.530 2.775 20 0 FFADHO COc1ccc(Cl)cc1C1(CN[C@H](C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000422896725 513968187 /nfs/dbraw/zinc/96/81/87/513968187.db2.gz ARGWXEYQVCGBMG-HUUCEWRRSA-N 1 3 352.906 2.984 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416789548 513969389 /nfs/dbraw/zinc/96/93/89/513969389.db2.gz DMFYPQACNORQIK-NRFANRHFSA-N 1 3 370.541 2.825 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422926264 513978892 /nfs/dbraw/zinc/97/88/92/513978892.db2.gz CLFXLZVYMBPBCI-RTBURBONSA-N 1 3 350.938 2.712 20 0 FFADHO Fc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000422937821 513983121 /nfs/dbraw/zinc/98/31/21/513983121.db2.gz OYVBFLGLWYJQDI-IAOVAPTHSA-N 1 3 371.294 2.877 20 0 FFADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422948473 513986699 /nfs/dbraw/zinc/98/66/99/513986699.db2.gz RLJZHPYPXCIRLW-CKEIUWERSA-N 1 3 352.320 2.863 20 0 FFADHO CC1CCN([C@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000416831092 513988774 /nfs/dbraw/zinc/98/87/74/513988774.db2.gz HGSVLEBEXFSFBN-DLBZAZTESA-N 1 3 364.559 2.820 20 0 FFADHO COc1ccc([C@@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000416834423 513990522 /nfs/dbraw/zinc/99/05/22/513990522.db2.gz XWWDJSISKNECDS-QFBILLFUSA-N 1 3 362.518 2.649 20 0 FFADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416839228 513993002 /nfs/dbraw/zinc/99/30/02/513993002.db2.gz JVDLTCUJIWPJHP-HOTGVXAUSA-N 1 3 352.548 2.676 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000416840247 513994866 /nfs/dbraw/zinc/99/48/66/513994866.db2.gz KPUQPRCYPNJKQQ-VNTMZGSJSA-N 1 3 358.530 2.838 20 0 FFADHO O[C@]1(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CCN(Cc2ccccc2)C1 ZINC000422980760 513997935 /nfs/dbraw/zinc/99/79/35/513997935.db2.gz QYWQRFPWGPESAJ-VJBWXMMDSA-N 1 3 365.521 2.706 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000416847917 514000157 /nfs/dbraw/zinc/00/01/57/514000157.db2.gz WBGJZZVWSMLOQO-JIRNRHONSA-N 1 3 358.530 2.994 20 0 FFADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414188024 514003896 /nfs/dbraw/zinc/00/38/96/514003896.db2.gz IRGMQCIHGZKYJU-HXUWFJFHSA-N 1 3 373.541 2.595 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cc(Cl)ccc1Br ZINC000422998565 514003906 /nfs/dbraw/zinc/00/39/06/514003906.db2.gz QSMYKSBESUADNZ-XEGUGMAKSA-N 1 3 361.711 2.987 20 0 FFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cc(Cl)ccc1Br ZINC000422998565 514003913 /nfs/dbraw/zinc/00/39/13/514003913.db2.gz QSMYKSBESUADNZ-XEGUGMAKSA-N 1 3 361.711 2.987 20 0 FFADHO Cc1ccc(C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C2CC2)cc1 ZINC000414191333 514005099 /nfs/dbraw/zinc/00/50/99/514005099.db2.gz LJGZPWCLYIMWCW-JOCHJYFZSA-N 1 3 371.569 2.702 20 0 FFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1nccc2ccccc21 ZINC000414201642 514008550 /nfs/dbraw/zinc/00/85/50/514008550.db2.gz STXGWCJSNVLROX-GOSISDBHSA-N 1 3 368.525 2.682 20 0 FFADHO Fc1cc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423029739 514012176 /nfs/dbraw/zinc/01/21/76/514012176.db2.gz VIEUKFDYIRDZJN-ARKSPBFVSA-N 1 3 367.896 2.805 20 0 FFADHO Cc1ccc(C[C@H](CO)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423059296 514022499 /nfs/dbraw/zinc/02/24/99/514022499.db2.gz LNSGJMUNDZIYPC-UZKOGDIHSA-N 1 3 352.478 2.744 20 0 FFADHO COc1cccc(C[C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)n1 ZINC000414305501 514041060 /nfs/dbraw/zinc/04/10/60/514041060.db2.gz NJZXLDUYWMVZRU-GOSISDBHSA-N 1 3 369.509 2.638 20 0 FFADHO COc1cccc(C[C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)n1 ZINC000414305503 514041186 /nfs/dbraw/zinc/04/11/86/514041186.db2.gz NJZXLDUYWMVZRU-SFHVURJKSA-N 1 3 369.509 2.638 20 0 FFADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423101375 514042328 /nfs/dbraw/zinc/04/23/28/514042328.db2.gz CUJVCSOWIYDPTQ-GZBLMMOJSA-N 1 3 365.547 2.574 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416924145 514048273 /nfs/dbraw/zinc/04/82/73/514048273.db2.gz OUGWZUJJYUGQOP-HXUWFJFHSA-N 1 3 374.529 2.687 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414324668 514048622 /nfs/dbraw/zinc/04/86/22/514048622.db2.gz JCSYGMWEMNKCSQ-QGZVFWFLSA-N 1 3 373.520 2.683 20 0 FFADHO CSc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423143983 514057787 /nfs/dbraw/zinc/05/77/87/514057787.db2.gz FVMGQZGAIDPEOT-WTGUMLROSA-N 1 3 363.571 2.758 20 0 FFADHO CSc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423143980 514057960 /nfs/dbraw/zinc/05/79/60/514057960.db2.gz FVMGQZGAIDPEOT-HAGHYFMRSA-N 1 3 363.571 2.758 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423162314 514066588 /nfs/dbraw/zinc/06/65/88/514066588.db2.gz PAVWRRFZKASGGM-YEWWUXTCSA-N 1 3 369.347 2.886 20 0 FFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423162314 514066591 /nfs/dbraw/zinc/06/65/91/514066591.db2.gz PAVWRRFZKASGGM-YEWWUXTCSA-N 1 3 369.347 2.886 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000416975946 514082919 /nfs/dbraw/zinc/08/29/19/514082919.db2.gz NNTUBEYRUVGMDG-OKZBNKHCSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000416975946 514082926 /nfs/dbraw/zinc/08/29/26/514082926.db2.gz NNTUBEYRUVGMDG-OKZBNKHCSA-N 1 3 358.530 2.953 20 0 FFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132932 514085434 /nfs/dbraw/zinc/08/54/34/514085434.db2.gz WJVYGQFRCQAKTH-DLBZAZTESA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132932 514085438 /nfs/dbraw/zinc/08/54/38/514085438.db2.gz WJVYGQFRCQAKTH-DLBZAZTESA-N 1 3 352.544 2.904 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449132932 514085441 /nfs/dbraw/zinc/08/54/41/514085441.db2.gz WJVYGQFRCQAKTH-DLBZAZTESA-N 1 3 352.544 2.904 20 0 FFADHO c1ccc(-c2nccc(N3CCN(CC[C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000420315759 514089223 /nfs/dbraw/zinc/08/92/23/514089223.db2.gz LJWQFUSVESPQHZ-SFHVURJKSA-N 1 3 351.498 2.655 20 0 FFADHO C[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000449137398 514089389 /nfs/dbraw/zinc/08/93/89/514089389.db2.gz YAWLGCXNQIHSCI-GOSISDBHSA-N 1 3 352.611 2.891 20 0 FFADHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cc2ccccc2o1 ZINC000420343847 514102027 /nfs/dbraw/zinc/10/20/27/514102027.db2.gz RVFAONUMSGBFRP-AHCXZYCDSA-N 1 3 355.482 2.930 20 0 FFADHO CN(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H]1CCCc2ccccc21 ZINC000420345405 514104690 /nfs/dbraw/zinc/10/46/90/514104690.db2.gz WDUMNMIIIRSAMX-SVFBPWRDSA-N 1 3 355.526 2.844 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@H]1C ZINC000444035350 514105455 /nfs/dbraw/zinc/10/54/55/514105455.db2.gz VQHVECODQJXWFB-SJLPKXTDSA-N 1 3 362.518 2.964 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCCN(C)C)c2)C[C@H]1C ZINC000444035350 514105463 /nfs/dbraw/zinc/10/54/63/514105463.db2.gz VQHVECODQJXWFB-SJLPKXTDSA-N 1 3 362.518 2.964 20 0 FFADHO Fc1ccc(COc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000420346761 514106100 /nfs/dbraw/zinc/10/61/00/514106100.db2.gz DNKBIPIXBMABOA-NRFANRHFSA-N 1 3 369.484 2.884 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000417002241 514108037 /nfs/dbraw/zinc/10/80/37/514108037.db2.gz FYAQIHZWLPOOLX-VDHUWJSZSA-N 1 3 364.559 2.818 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1NCCCC1(C)C ZINC000423322811 514108375 /nfs/dbraw/zinc/10/83/75/514108375.db2.gz IRWQSVUOYBJJRM-IBGZPJMESA-N 1 3 361.530 2.802 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000417004098 514109569 /nfs/dbraw/zinc/10/95/69/514109569.db2.gz CIMFZLGZGDNHDC-NUJGCVRESA-N 1 3 350.551 2.526 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000417010509 514114812 /nfs/dbraw/zinc/11/48/12/514114812.db2.gz PJDUPXCLEUAMGR-DLBZAZTESA-N 1 3 352.548 2.962 20 0 FFADHO COc1ccc([C@@H](CN)C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000420376356 514115785 /nfs/dbraw/zinc/11/57/85/514115785.db2.gz QODVLDWOCNNHJO-ONTIZHBOSA-N 1 3 368.525 2.757 20 0 FFADHO COc1ccc([C@@H](CN)C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000420376356 514115786 /nfs/dbraw/zinc/11/57/86/514115786.db2.gz QODVLDWOCNNHJO-ONTIZHBOSA-N 1 3 368.525 2.757 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2C[C@@H](C)CCN2)ccc1OC ZINC000423357453 514117309 /nfs/dbraw/zinc/11/73/09/514117309.db2.gz IAUKAFGCOIPQMR-RDJZCZTQSA-N 1 3 363.502 2.742 20 0 FFADHO CCCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000417013258 514117657 /nfs/dbraw/zinc/11/76/57/514117657.db2.gz YMXDATFAVPQKRU-IAGOWNOFSA-N 1 3 352.548 2.915 20 0 FFADHO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000423365897 514118846 /nfs/dbraw/zinc/11/88/46/514118846.db2.gz KWPIRBPBDZRDBU-IBGZPJMESA-N 1 3 359.514 2.608 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000417015277 514121060 /nfs/dbraw/zinc/12/10/60/514121060.db2.gz FJGUXOAQTBAGIC-LZQZEXGQSA-N 1 3 362.493 2.526 20 0 FFADHO Cc1ccc2c(c1)OCCC[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423393398 514126858 /nfs/dbraw/zinc/12/68/58/514126858.db2.gz RBIOAAOWXYYZJL-RDJZCZTQSA-N 1 3 357.420 2.634 20 0 FFADHO CCc1nc(C)c([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423396052 514128593 /nfs/dbraw/zinc/12/85/93/514128593.db2.gz SYLMOBZYQUJQTP-CMPLNLGQSA-N 1 3 350.454 2.501 20 0 FFADHO COC[C@H](NCC1(COC)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423400651 514129545 /nfs/dbraw/zinc/12/95/45/514129545.db2.gz FXDXSTLKGBKIJU-INIZCTEOSA-N 1 3 360.420 2.999 20 0 FFADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000420405389 514134763 /nfs/dbraw/zinc/13/47/63/514134763.db2.gz MSRPTLBXNAPOPP-OLZOCXBDSA-N 1 3 354.292 2.694 20 0 FFADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423437375 514142594 /nfs/dbraw/zinc/14/25/94/514142594.db2.gz QIHCGQNVAQPENX-UWVGGRQHSA-N 1 3 368.330 2.809 20 0 FFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423451668 514145544 /nfs/dbraw/zinc/14/55/44/514145544.db2.gz ISPRAXZTZSTAFX-DWQUBVKVSA-N 1 3 367.440 2.585 20 0 FFADHO COC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000423482430 514149990 /nfs/dbraw/zinc/14/99/90/514149990.db2.gz XPKROQCFNJXZAZ-SXLOBPIMSA-N 1 3 350.478 2.550 20 0 FFADHO COC[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000423482430 514149998 /nfs/dbraw/zinc/14/99/98/514149998.db2.gz XPKROQCFNJXZAZ-SXLOBPIMSA-N 1 3 350.478 2.550 20 0 FFADHO CCc1ccccc1[C@H](N)CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000417073335 514153425 /nfs/dbraw/zinc/15/34/25/514153425.db2.gz SKTFKQAQNOZVMA-HXUWFJFHSA-N 1 3 354.498 2.810 20 0 FFADHO CCCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417085026 514159974 /nfs/dbraw/zinc/15/99/74/514159974.db2.gz BFNVQBDTYWDFDA-UHFFFAOYSA-N 1 3 372.557 2.997 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000423549755 514167661 /nfs/dbraw/zinc/16/76/61/514167661.db2.gz IEGDVFIQBXQZTP-DLBZAZTESA-N 1 3 355.482 2.716 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000427270315 514167884 /nfs/dbraw/zinc/16/78/84/514167884.db2.gz SNMQWPRPHBLHNW-GGPKGHCWSA-N 1 3 365.562 2.504 20 0 FFADHO CN(C)c1ccccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414557020 514178799 /nfs/dbraw/zinc/17/87/99/514178799.db2.gz ZIDBTOWTEFVNDE-UHFFFAOYSA-N 1 3 353.510 2.869 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423788530 514229976 /nfs/dbraw/zinc/22/99/76/514229976.db2.gz XWVPVLQCLCVJNE-JTSKRJEESA-N 1 3 363.505 2.625 20 0 FFADHO CC1CCN([C@@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000417219730 514241386 /nfs/dbraw/zinc/24/13/86/514241386.db2.gz WLEJFMJXRFMKAC-ICSRJNTNSA-N 1 3 358.530 2.758 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000417222863 514242553 /nfs/dbraw/zinc/24/25/53/514242553.db2.gz QXGHMSBJTQXILD-QMMLZNLJSA-N 1 3 370.541 2.853 20 0 FFADHO C[C@H](CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423850859 514262777 /nfs/dbraw/zinc/26/27/77/514262777.db2.gz QARFXCQSDOTZHP-LMMKCTJWSA-N 1 3 358.530 2.749 20 0 FFADHO C[C@@H]1C[C@H](CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414741639 514266699 /nfs/dbraw/zinc/26/66/99/514266699.db2.gz SHZAVYWEXVQCEN-IAGOWNOFSA-N 1 3 351.922 2.725 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCCN1C)Cc1ccccc1 ZINC000420777248 514291624 /nfs/dbraw/zinc/29/16/24/514291624.db2.gz GZMNNXARHYXJEI-PMACEKPBSA-N 1 3 360.546 2.675 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)C[C@H]1CCCN1C ZINC000420799094 514305947 /nfs/dbraw/zinc/30/59/47/514305947.db2.gz IHAGJMIRQSOKEA-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)C[C@H]1CCCN1C ZINC000420799094 514305950 /nfs/dbraw/zinc/30/59/50/514305950.db2.gz IHAGJMIRQSOKEA-MISYRCLQSA-N 1 3 358.530 2.633 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000417356195 514309554 /nfs/dbraw/zinc/30/95/54/514309554.db2.gz BWURFFJTUHHOGL-DLBZAZTESA-N 1 3 364.559 2.744 20 0 FFADHO C[C@H]1NCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@H]1C ZINC000417359730 514310634 /nfs/dbraw/zinc/31/06/34/514310634.db2.gz JFQYXECOBPZUCR-MSOLQXFVSA-N 1 3 358.530 2.954 20 0 FFADHO N[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000417389678 514327903 /nfs/dbraw/zinc/32/79/03/514327903.db2.gz XUZLJSPLLAWFTG-IBGZPJMESA-N 1 3 372.538 2.959 20 0 FFADHO Brc1ccccc1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000414860265 514328259 /nfs/dbraw/zinc/32/82/59/514328259.db2.gz CGVDLCDERVUXSF-INIZCTEOSA-N 1 3 352.320 2.755 20 0 FFADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)CN)CC1 ZINC000414887166 514342104 /nfs/dbraw/zinc/34/21/04/514342104.db2.gz YYQZHNHULBPRNI-GFCCVEGCSA-N 1 3 368.319 2.547 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000420907459 514368788 /nfs/dbraw/zinc/36/87/88/514368788.db2.gz DFWDNDVNWHOTCH-MHJFOBGBSA-N 1 3 358.530 2.823 20 0 FFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)CCCN1 ZINC000414954379 514374044 /nfs/dbraw/zinc/37/40/44/514374044.db2.gz LGXMQDUOQRJEDE-BLLLJJGKSA-N 1 3 359.283 2.877 20 0 FFADHO CCCCOc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414970332 514380845 /nfs/dbraw/zinc/38/08/45/514380845.db2.gz HGHWDDJGKVLQHP-QGZVFWFLSA-N 1 3 359.436 2.791 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000420929073 514382174 /nfs/dbraw/zinc/38/21/74/514382174.db2.gz CGMKAFGUNWFUMZ-JTHBVZDNSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CCOCC2)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000420929073 514382182 /nfs/dbraw/zinc/38/21/82/514382182.db2.gz CGMKAFGUNWFUMZ-JTHBVZDNSA-N 1 3 369.553 2.968 20 0 FFADHO C[C@]1(Cc2ccc(F)cc2)CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000420929489 514383302 /nfs/dbraw/zinc/38/33/02/514383302.db2.gz QNECRVDOARRGBU-JOCHJYFZSA-N 1 3 373.516 2.966 20 0 FFADHO FC(F)(F)Oc1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989702 514389286 /nfs/dbraw/zinc/38/92/86/514389286.db2.gz QVVVJIQHLRTWFI-ZDUSSCGKSA-N 1 3 371.325 2.511 20 0 FFADHO Cc1nccn1-c1ccc([C@@H](C)NC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000433135046 514393672 /nfs/dbraw/zinc/39/36/72/514393672.db2.gz MJKFCHHYDLDBJO-MRXNPFEDSA-N 1 3 369.513 2.561 20 0 FFADHO COC(=O)COc1c(C)cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000415036135 514410435 /nfs/dbraw/zinc/41/04/35/514410435.db2.gz FHQSPIFCQNIVDN-RTBURBONSA-N 1 3 360.498 2.819 20 0 FFADHO C[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)N(C)Cc1ccccc1 ZINC000417575525 514415843 /nfs/dbraw/zinc/41/58/43/514415843.db2.gz FZYBVBXSJBTMDQ-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)N(C)Cc1ccccc1 ZINC000417575911 514416387 /nfs/dbraw/zinc/41/63/87/514416387.db2.gz GOTUCUKLPFMODN-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cc(OC)ccc3OC)CC2)CC1 ZINC000420983338 514420733 /nfs/dbraw/zinc/42/07/33/514420733.db2.gz QOKJLCCQYOCEDL-UHFFFAOYSA-N 1 3 361.530 2.696 20 0 FFADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)CC1 ZINC000420998420 514431173 /nfs/dbraw/zinc/43/11/73/514431173.db2.gz BAILHFIHFRCEAD-IBGZPJMESA-N 1 3 372.557 2.530 20 0 FFADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)CC1 ZINC000420998420 514431174 /nfs/dbraw/zinc/43/11/74/514431174.db2.gz BAILHFIHFRCEAD-IBGZPJMESA-N 1 3 372.557 2.530 20 0 FFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415075967 514431737 /nfs/dbraw/zinc/43/17/37/514431737.db2.gz BZQXTUYCKLIJOF-GHTZIAJQSA-N 1 3 372.557 2.990 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000415111499 514447856 /nfs/dbraw/zinc/44/78/56/514447856.db2.gz CFMPOXYHCIOOPN-IFMALSPDSA-N 1 3 365.521 2.800 20 0 FFADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(CN4CCC(O)CC4)cc3)C[C@H]2C1 ZINC000424293858 514449088 /nfs/dbraw/zinc/44/90/88/514449088.db2.gz CYACLSQVHUKWOX-DLRWMDTOSA-N 1 3 358.526 2.937 20 0 FFADHO C[C@H]1CC2(CN1CC(=O)N(C)[C@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424300534 514449383 /nfs/dbraw/zinc/44/93/83/514449383.db2.gz WPKQCMAYDWDXPY-PXNSSMCTSA-N 1 3 355.526 2.986 20 0 FFADHO C[C@](Cc1ccccc1)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415135081 514461434 /nfs/dbraw/zinc/46/14/34/514461434.db2.gz FMIVYOIBZIILII-NZQKXSOJSA-N 1 3 365.521 2.931 20 0 FFADHO Cc1ccc(-n2cc(CN3CCC(O)(C[NH3+])CC3)c(C(C)(C)C)n2)cc1 ZINC000415136210 514461879 /nfs/dbraw/zinc/46/18/79/514461879.db2.gz CGPFPJIWJZSEBX-UHFFFAOYSA-N 1 3 356.514 2.764 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000439192018 514505674 /nfs/dbraw/zinc/50/56/74/514505674.db2.gz RRIJRYUMMARNCA-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000439192018 514505678 /nfs/dbraw/zinc/50/56/78/514505678.db2.gz RRIJRYUMMARNCA-RTBURBONSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000439290791 514524958 /nfs/dbraw/zinc/52/49/58/514524958.db2.gz BSOBUISADCLXSX-AWEZNQCLSA-N 1 3 364.456 2.529 20 0 FFADHO CN(C)C1(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)Cc2ccccc2C1 ZINC000466011857 514540482 /nfs/dbraw/zinc/54/04/82/514540482.db2.gz RCIVLLKBZQZTLB-IBGZPJMESA-N 1 3 374.573 2.751 20 0 FFADHO COCCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453108045 514545725 /nfs/dbraw/zinc/54/57/25/514545725.db2.gz KGDSWTMRQJRERK-FNAHDJPLSA-N 1 3 357.542 2.740 20 0 FFADHO COCCN1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453108045 514545736 /nfs/dbraw/zinc/54/57/36/514545736.db2.gz KGDSWTMRQJRERK-FNAHDJPLSA-N 1 3 357.542 2.740 20 0 FFADHO COCCN1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453108045 514545744 /nfs/dbraw/zinc/54/57/44/514545744.db2.gz KGDSWTMRQJRERK-FNAHDJPLSA-N 1 3 357.542 2.740 20 0 FFADHO c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CN(C4CC4)CCO3)[C@@H]3CCC[C@H]32)cc1 ZINC000453131436 514552244 /nfs/dbraw/zinc/55/22/44/514552244.db2.gz CQGACUHOYQBNGV-WZYRSQIMSA-N 1 3 369.553 2.882 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CN(C4CC4)CCO3)[C@@H]3CCC[C@H]32)cc1 ZINC000453131436 514552253 /nfs/dbraw/zinc/55/22/53/514552253.db2.gz CQGACUHOYQBNGV-WZYRSQIMSA-N 1 3 369.553 2.882 20 0 FFADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475137839 514569571 /nfs/dbraw/zinc/56/95/71/514569571.db2.gz LAWPURWADCMDSX-VQTJNVASSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CN1Cc1ccccc1 ZINC000466197983 514573014 /nfs/dbraw/zinc/57/30/14/514573014.db2.gz FIBKIGWUHIDZJD-GSEOLPGOSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CN1Cc1ccccc1 ZINC000466197983 514573020 /nfs/dbraw/zinc/57/30/20/514573020.db2.gz FIBKIGWUHIDZJD-GSEOLPGOSA-N 1 3 356.514 2.575 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000466222680 514581575 /nfs/dbraw/zinc/58/15/75/514581575.db2.gz DOYYKNIEZBKNSC-NZSAHSFTSA-N 1 3 350.551 2.525 20 0 FFADHO OCCCN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453264215 514582546 /nfs/dbraw/zinc/58/25/46/514582546.db2.gz MHHRXOLSCYNLAO-CIAFKFPVSA-N 1 3 357.542 2.618 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000470723535 514585862 /nfs/dbraw/zinc/58/58/62/514585862.db2.gz PWWGPHUVPWNCNW-SBHAEUEKSA-N 1 3 370.541 2.949 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453300620 514593811 /nfs/dbraw/zinc/59/38/11/514593811.db2.gz YYZAYGGZJUERIE-GPJHCHHRSA-N 1 3 371.569 2.866 20 0 FFADHO C[N@H+](CCCN1CCCCC1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470818389 514624807 /nfs/dbraw/zinc/62/48/07/514624807.db2.gz XIFDWAPRFPMLCM-IRXDYDNUSA-N 1 3 354.539 2.863 20 0 FFADHO C[N@@H+](CCCN1CCCCC1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470818389 514624814 /nfs/dbraw/zinc/62/48/14/514624814.db2.gz XIFDWAPRFPMLCM-IRXDYDNUSA-N 1 3 354.539 2.863 20 0 FFADHO CC(C)C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C(=O)NCCN(C)C ZINC000502365332 514626903 /nfs/dbraw/zinc/62/69/03/514626903.db2.gz KFSKUSAGXLEZII-HOJAQTOUSA-N 1 3 360.546 2.790 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000479562014 514631867 /nfs/dbraw/zinc/63/18/67/514631867.db2.gz IYXHUJQDOVVSFM-SFHVURJKSA-N 1 3 372.557 2.631 20 0 FFADHO CC(C)(C)CCN1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000475358872 514632043 /nfs/dbraw/zinc/63/20/43/514632043.db2.gz ACJALNSPUAMLAQ-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CN1Cc1ccccc1 ZINC000466498838 514663435 /nfs/dbraw/zinc/66/34/35/514663435.db2.gz GXPJYRRTYICRBK-YZGWKJHDSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CN1Cc1ccccc1 ZINC000466498838 514663445 /nfs/dbraw/zinc/66/34/45/514663445.db2.gz GXPJYRRTYICRBK-YZGWKJHDSA-N 1 3 370.541 2.966 20 0 FFADHO COc1ccc(Cl)cc1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479686898 514687212 /nfs/dbraw/zinc/68/72/12/514687212.db2.gz MVFMFOPGBNINAX-UHFFFAOYSA-N 1 3 351.922 2.856 20 0 FFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000466679017 514727010 /nfs/dbraw/zinc/72/70/10/514727010.db2.gz BAASAFFZFRNJIR-PMACEKPBSA-N 1 3 372.557 2.578 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[NH+]3CCCCCC3)cc2)CC1 ZINC000479817101 514734969 /nfs/dbraw/zinc/73/49/69/514734969.db2.gz VEOQKFQZZBRZBN-IBGZPJMESA-N 1 3 372.557 2.823 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC1 ZINC000461788942 514739792 /nfs/dbraw/zinc/73/97/92/514739792.db2.gz YMAVZSXBKRVKEV-MAUKXSAKSA-N 1 3 364.559 2.915 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000458399470 514765504 /nfs/dbraw/zinc/76/55/04/514765504.db2.gz GIKNVDUIBUHFDH-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000458399470 514765513 /nfs/dbraw/zinc/76/55/13/514765513.db2.gz GIKNVDUIBUHFDH-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000484732600 514771791 /nfs/dbraw/zinc/77/17/91/514771791.db2.gz DNMUFCJKAGMISH-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000484732600 514771800 /nfs/dbraw/zinc/77/18/00/514771800.db2.gz DNMUFCJKAGMISH-RLLQIKCJSA-N 1 3 358.530 2.996 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000458413589 514778100 /nfs/dbraw/zinc/77/81/00/514778100.db2.gz CACADVTVZQDRBE-QGZVFWFLSA-N 1 3 364.559 2.838 20 0 FFADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000458413589 514778109 /nfs/dbraw/zinc/77/81/09/514778109.db2.gz CACADVTVZQDRBE-QGZVFWFLSA-N 1 3 364.559 2.838 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCCCCC[NH+]3CCCCC3)C2)C1 ZINC000458428574 514788289 /nfs/dbraw/zinc/78/82/89/514788289.db2.gz LTBILWAHHJPODT-FQEVSTJZSA-N 1 3 350.551 2.770 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(F)cc1 ZINC000502895225 514832042 /nfs/dbraw/zinc/83/20/42/514832042.db2.gz GNNYEQXFQGUNEE-RBUKOAKNSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(F)cc1 ZINC000502895225 514832051 /nfs/dbraw/zinc/83/20/51/514832051.db2.gz GNNYEQXFQGUNEE-RBUKOAKNSA-N 1 3 362.493 2.745 20 0 FFADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455923590 514836123 /nfs/dbraw/zinc/83/61/23/514836123.db2.gz MPENFSLKRBIAAM-ICSRJNTNSA-N 1 3 374.529 2.810 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC[N@@H+]1C ZINC000489543392 514888929 /nfs/dbraw/zinc/88/89/29/514888929.db2.gz GQOCHMPMMRWPEE-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC[N@H+]1C ZINC000489543392 514888935 /nfs/dbraw/zinc/88/89/35/514888935.db2.gz GQOCHMPMMRWPEE-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000476055412 514900581 /nfs/dbraw/zinc/90/05/81/514900581.db2.gz WBXMOYHCUOSTBW-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000476055412 514900590 /nfs/dbraw/zinc/90/05/90/514900590.db2.gz WBXMOYHCUOSTBW-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000508872859 514931385 /nfs/dbraw/zinc/93/13/85/514931385.db2.gz SJKOCUJCTNUFQC-YSIASYRMSA-N 1 3 358.530 2.948 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000508900443 514945641 /nfs/dbraw/zinc/94/56/41/514945641.db2.gz XOQCHGLAUFPUOM-NSHGMRRFSA-N 1 3 360.546 2.969 20 0 FFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000508900443 514945650 /nfs/dbraw/zinc/94/56/50/514945650.db2.gz XOQCHGLAUFPUOM-NSHGMRRFSA-N 1 3 360.546 2.969 20 0 FFADHO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cccc(OCCN(C)C)c1 ZINC000480532052 514990479 /nfs/dbraw/zinc/99/04/79/514990479.db2.gz UPVRYAVOOSBZBT-MRXNPFEDSA-N 1 3 359.514 2.679 20 0 FFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489828625 514992150 /nfs/dbraw/zinc/99/21/50/514992150.db2.gz IDEJFCZKSPVWPO-QUCCMNQESA-N 1 3 360.546 2.928 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000485390743 515020418 /nfs/dbraw/zinc/02/04/18/515020418.db2.gz VDUVNBOMWLMBMB-WSTZPKSXSA-N 1 3 358.530 2.805 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000485390743 515020426 /nfs/dbraw/zinc/02/04/26/515020426.db2.gz VDUVNBOMWLMBMB-WSTZPKSXSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000503405520 515021965 /nfs/dbraw/zinc/02/19/65/515021965.db2.gz ZSXNYMYWZQIIAN-PXNSSMCTSA-N 1 3 358.530 2.853 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C ZINC000458771351 515079411 /nfs/dbraw/zinc/07/94/11/515079411.db2.gz MLLAJJBPPVMLRD-PRRWFZGNSA-N 1 3 358.530 2.911 20 0 FFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C ZINC000458771351 515079419 /nfs/dbraw/zinc/07/94/19/515079419.db2.gz MLLAJJBPPVMLRD-PRRWFZGNSA-N 1 3 358.530 2.911 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccccc1 ZINC000480831411 515098341 /nfs/dbraw/zinc/09/83/41/515098341.db2.gz IOPVOAQOGGLGBL-NQIIRXRSSA-N 1 3 351.494 2.917 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccccc1 ZINC000480831411 515098349 /nfs/dbraw/zinc/09/83/49/515098349.db2.gz IOPVOAQOGGLGBL-NQIIRXRSSA-N 1 3 351.494 2.917 20 0 FFADHO CSC1(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCN(C)CC1 ZINC000462515957 515098952 /nfs/dbraw/zinc/09/89/52/515098952.db2.gz YGXZFWBTUULKOC-UHFFFAOYSA-N 1 3 370.607 2.577 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000503947993 515179047 /nfs/dbraw/zinc/17/90/47/515179047.db2.gz AUBFPGJDJQHALO-UHFFFAOYSA-N 1 3 370.582 2.636 20 0 FFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000476797789 515198941 /nfs/dbraw/zinc/19/89/41/515198941.db2.gz ZXAPYDZLCLLEHX-XLIONFOSSA-N 1 3 358.530 2.994 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccco1 ZINC000476847430 515217943 /nfs/dbraw/zinc/21/79/43/515217943.db2.gz RLXREYGXMIMJAQ-SJORKVTESA-N 1 3 350.507 2.884 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000476875942 515230974 /nfs/dbraw/zinc/23/09/74/515230974.db2.gz XFCZBBMJQMWLNP-UHFFFAOYSA-N 1 3 364.534 2.865 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000486066127 515319855 /nfs/dbraw/zinc/31/98/55/515319855.db2.gz UQHPIISQIXOOQF-YOEHRIQHSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000486066127 515319861 /nfs/dbraw/zinc/31/98/61/515319861.db2.gz UQHPIISQIXOOQF-YOEHRIQHSA-N 1 3 371.447 2.793 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)C1 ZINC000490890009 515327073 /nfs/dbraw/zinc/32/70/73/515327073.db2.gz QUOMTZCITWSJBV-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCN(C)C3CC3)cc2)C1 ZINC000490890009 515327079 /nfs/dbraw/zinc/32/70/79/515327079.db2.gz QUOMTZCITWSJBV-KRWDZBQOSA-N 1 3 358.530 2.812 20 0 FFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000468397139 515339488 /nfs/dbraw/zinc/33/94/88/515339488.db2.gz IQDGMOCWWPWLCB-ROUUACIJSA-N 1 3 361.530 2.896 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000459133826 515343137 /nfs/dbraw/zinc/34/31/37/515343137.db2.gz CRQDWUHXQXNTTQ-SFHVURJKSA-N 1 3 350.482 2.602 20 0 FFADHO CN(C)C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000459133826 515343143 /nfs/dbraw/zinc/34/31/43/515343143.db2.gz CRQDWUHXQXNTTQ-SFHVURJKSA-N 1 3 350.482 2.602 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1ccc2ccccc21 ZINC000499519215 515355907 /nfs/dbraw/zinc/35/59/07/515355907.db2.gz GOZGUNCGWWHKPZ-HXUWFJFHSA-N 1 3 370.541 2.906 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1ccc2ccccc21 ZINC000499519215 515355916 /nfs/dbraw/zinc/35/59/16/515355916.db2.gz GOZGUNCGWWHKPZ-HXUWFJFHSA-N 1 3 370.541 2.906 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000463270287 515424247 /nfs/dbraw/zinc/42/42/47/515424247.db2.gz FXWKXEPONSWLMP-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000463270287 515424257 /nfs/dbraw/zinc/42/42/57/515424257.db2.gz FXWKXEPONSWLMP-GHTZIAJQSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000463271807 515424986 /nfs/dbraw/zinc/42/49/86/515424986.db2.gz MSBMVSORQVDZRH-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459273638 515440115 /nfs/dbraw/zinc/44/01/15/515440115.db2.gz YHZPEFVVSBLLRV-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459273638 515440125 /nfs/dbraw/zinc/44/01/25/515440125.db2.gz YHZPEFVVSBLLRV-INIZCTEOSA-N 1 3 352.548 2.553 20 0 FFADHO CCC(CC)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCOCC1 ZINC000459370268 515504988 /nfs/dbraw/zinc/50/49/88/515504988.db2.gz RFASATGLDNEHII-NRFANRHFSA-N 1 3 360.546 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000482095272 515574519 /nfs/dbraw/zinc/57/45/19/515574519.db2.gz NZPVADCKTYZPLK-HNNXBMFYSA-N 1 3 353.898 2.615 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000482095272 515574531 /nfs/dbraw/zinc/57/45/31/515574531.db2.gz NZPVADCKTYZPLK-HNNXBMFYSA-N 1 3 353.898 2.615 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC000459511190 515607563 /nfs/dbraw/zinc/60/75/63/515607563.db2.gz CQPJIJOKWQUJCU-UHFFFAOYSA-N 1 3 371.569 2.967 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505726100 515646250 /nfs/dbraw/zinc/64/62/50/515646250.db2.gz PCSCIZAGBLWRQE-HSALFYBXSA-N 1 3 356.514 2.750 20 0 FFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505726100 515646257 /nfs/dbraw/zinc/64/62/57/515646257.db2.gz PCSCIZAGBLWRQE-HSALFYBXSA-N 1 3 356.514 2.750 20 0 FFADHO C[NH+](C)CC(C)(C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000457232928 515742081 /nfs/dbraw/zinc/74/20/81/515742081.db2.gz HXBDBKNLHMIYKC-MRXNPFEDSA-N 1 3 353.457 2.600 20 0 FFADHO C[C@@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)C1=CCN(C)CC1 ZINC000454818195 515765390 /nfs/dbraw/zinc/76/53/90/515765390.db2.gz OVIMNUNDFJHSDM-GOSISDBHSA-N 1 3 370.541 2.991 20 0 FFADHO C[C@@H](NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)C1=CCN(C)CC1 ZINC000454818195 515765399 /nfs/dbraw/zinc/76/53/99/515765399.db2.gz OVIMNUNDFJHSDM-GOSISDBHSA-N 1 3 370.541 2.991 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@H+](CC)C(C)C)c2)CC1 ZINC000473834039 515766724 /nfs/dbraw/zinc/76/67/24/515766724.db2.gz ZAFJXYCHAIIUOC-UHFFFAOYSA-N 1 3 361.534 2.680 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@@H+](CC)C(C)C)c2)CC1 ZINC000473834039 515766735 /nfs/dbraw/zinc/76/67/35/515766735.db2.gz ZAFJXYCHAIIUOC-UHFFFAOYSA-N 1 3 361.534 2.680 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000500602455 515787718 /nfs/dbraw/zinc/78/77/18/515787718.db2.gz ADHZPMDNMXACCF-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1C[C@@H](CCNC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000500602455 515787724 /nfs/dbraw/zinc/78/77/24/515787724.db2.gz ADHZPMDNMXACCF-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487287054 515819842 /nfs/dbraw/zinc/81/98/42/515819842.db2.gz IFJVAHKLGPPSQZ-UHFFFAOYSA-N 1 3 368.403 2.642 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000511227365 515833715 /nfs/dbraw/zinc/83/37/15/515833715.db2.gz BOUVHZPOKDSPKB-IAGOWNOFSA-N 1 3 350.551 2.837 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000511227365 515833726 /nfs/dbraw/zinc/83/37/26/515833726.db2.gz BOUVHZPOKDSPKB-IAGOWNOFSA-N 1 3 350.551 2.837 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506399930 515873070 /nfs/dbraw/zinc/87/30/70/515873070.db2.gz FKBCXZBPDTURBZ-XLIONFOSSA-N 1 3 362.562 2.767 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000469685054 515917716 /nfs/dbraw/zinc/91/77/16/515917716.db2.gz TUQXVUWDUVOEPZ-CTNGQTDRSA-N 1 3 372.557 2.530 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000469685054 515917725 /nfs/dbraw/zinc/91/77/25/515917725.db2.gz TUQXVUWDUVOEPZ-CTNGQTDRSA-N 1 3 372.557 2.530 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000469685057 515918724 /nfs/dbraw/zinc/91/87/24/515918724.db2.gz TUQXVUWDUVOEPZ-TZIWHRDSSA-N 1 3 372.557 2.530 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000469685057 515918730 /nfs/dbraw/zinc/91/87/30/515918730.db2.gz TUQXVUWDUVOEPZ-TZIWHRDSSA-N 1 3 372.557 2.530 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000494681713 515921464 /nfs/dbraw/zinc/92/14/64/515921464.db2.gz UROCMZMUQQVXHP-PXNSSMCTSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)CCOc1cccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000457505345 515927878 /nfs/dbraw/zinc/92/78/78/515927878.db2.gz IKZGQWAKNLQYLE-UHFFFAOYSA-N 1 3 359.514 2.508 20 0 FFADHO CC(C)[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCN1C ZINC000487639689 515932065 /nfs/dbraw/zinc/93/20/65/515932065.db2.gz LXFKNBSURIELKX-IAGOWNOFSA-N 1 3 364.559 2.867 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC000511618504 515965531 /nfs/dbraw/zinc/96/55/31/515965531.db2.gz YLVYYNLZWRRWDW-FQEVSTJZSA-N 1 3 357.542 2.930 20 0 FFADHO CN(C)C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)Cc2ccccc2C1 ZINC000483177221 515970210 /nfs/dbraw/zinc/97/02/10/515970210.db2.gz ZGUJOJALHSPUEW-FQEVSTJZSA-N 1 3 369.553 2.856 20 0 FFADHO CN(C)C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)Cc2ccccc2C1 ZINC000483177221 515970219 /nfs/dbraw/zinc/97/02/19/515970219.db2.gz ZGUJOJALHSPUEW-FQEVSTJZSA-N 1 3 369.553 2.856 20 0 FFADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@@H](C)C1 ZINC000487841480 516002504 /nfs/dbraw/zinc/00/25/04/516002504.db2.gz SAMYEJRRVWEERH-RAUXBKROSA-N 1 3 364.578 2.869 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1)[C@@H]1CCC[NH2+]1 ZINC000469863273 516004067 /nfs/dbraw/zinc/00/40/67/516004067.db2.gz OXGOFGTXNNFDAE-KSSFIOAISA-N 1 3 359.445 2.652 20 0 FFADHO C[NH+](C)CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000506876697 516011362 /nfs/dbraw/zinc/01/13/62/516011362.db2.gz RSRDMHOLMIETPP-UHFFFAOYSA-N 1 3 356.470 2.622 20 0 FFADHO C(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000487921941 516032436 /nfs/dbraw/zinc/03/24/36/516032436.db2.gz WYCXJNCXMKQBCV-UJOPUZHASA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000487921941 516032447 /nfs/dbraw/zinc/03/24/47/516032447.db2.gz WYCXJNCXMKQBCV-UJOPUZHASA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@@H]([C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000487921941 516032456 /nfs/dbraw/zinc/03/24/56/516032456.db2.gz WYCXJNCXMKQBCV-UJOPUZHASA-N 1 3 350.547 2.874 20 0 FFADHO C(CN1CCC[C@@H]([C@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000487921941 516032467 /nfs/dbraw/zinc/03/24/67/516032467.db2.gz WYCXJNCXMKQBCV-UJOPUZHASA-N 1 3 350.547 2.874 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000457645130 516034924 /nfs/dbraw/zinc/03/49/24/516034924.db2.gz XUZAEBNHTSKQHK-IBGZPJMESA-N 1 3 372.557 2.991 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000457645130 516034933 /nfs/dbraw/zinc/03/49/33/516034933.db2.gz XUZAEBNHTSKQHK-IBGZPJMESA-N 1 3 372.557 2.991 20 0 FFADHO CN1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000479043720 516035571 /nfs/dbraw/zinc/03/55/71/516035571.db2.gz RINGQRPVJYSOGI-OALUTQOASA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000487933283 516039466 /nfs/dbraw/zinc/03/94/66/516039466.db2.gz IODBZKNNPNIPSO-ZIFCJYIRSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000487933283 516039474 /nfs/dbraw/zinc/03/94/74/516039474.db2.gz IODBZKNNPNIPSO-ZIFCJYIRSA-N 1 3 358.530 2.679 20 0 FFADHO CC[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000501327025 516064390 /nfs/dbraw/zinc/06/43/90/516064390.db2.gz KTEKRSMPWCEKHL-NRFANRHFSA-N 1 3 372.557 2.999 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C/C=C\c2ccncc2)CC1 ZINC000495168683 516087891 /nfs/dbraw/zinc/08/78/91/516087891.db2.gz BHRCPHFNJXEQBV-WAYWQWQTSA-N 1 3 358.530 2.511 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000465266204 516110613 /nfs/dbraw/zinc/11/06/13/516110613.db2.gz WJSNSJPIJCPGSH-FQEVSTJZSA-N 1 3 367.578 2.846 20 0 FFADHO C[C@H]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000479209563 516110829 /nfs/dbraw/zinc/11/08/29/516110829.db2.gz UYIDPIJOTISFIY-LAUBAEHRSA-N 1 3 369.484 2.991 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000457740569 516112065 /nfs/dbraw/zinc/11/20/65/516112065.db2.gz IHFQYIZPHRVFAD-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000457740569 516112072 /nfs/dbraw/zinc/11/20/72/516112072.db2.gz IHFQYIZPHRVFAD-ICSRJNTNSA-N 1 3 358.530 2.855 20 0 FFADHO C[C@@H](CCNC(=O)[C@H](CN)c1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC000479222272 516113818 /nfs/dbraw/zinc/11/38/18/516113818.db2.gz KAVLGCOIMZSINH-OXJNMPFZSA-N 1 3 357.473 2.895 20 0 FFADHO C[C@@H](CCNC(=O)[C@H](CN)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000479222272 516113826 /nfs/dbraw/zinc/11/38/26/516113826.db2.gz KAVLGCOIMZSINH-OXJNMPFZSA-N 1 3 357.473 2.895 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000455327984 516122414 /nfs/dbraw/zinc/12/24/14/516122414.db2.gz IHWKAURUYVFULP-WOJBJXKFSA-N 1 3 370.541 2.967 20 0 FFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000455327984 516122427 /nfs/dbraw/zinc/12/24/27/516122427.db2.gz IHWKAURUYVFULP-WOJBJXKFSA-N 1 3 370.541 2.967 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457756838 516125404 /nfs/dbraw/zinc/12/54/04/516125404.db2.gz ZCYQPISHJLULGG-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457756838 516125413 /nfs/dbraw/zinc/12/54/13/516125413.db2.gz ZCYQPISHJLULGG-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000479268924 516132791 /nfs/dbraw/zinc/13/27/91/516132791.db2.gz ANLHMSDNBHLNFS-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000479268924 516132798 /nfs/dbraw/zinc/13/27/98/516132798.db2.gz ANLHMSDNBHLNFS-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000465431092 516151796 /nfs/dbraw/zinc/15/17/96/516151796.db2.gz RRXQWQWREJJAGI-VQTJNVASSA-N 1 3 360.546 2.533 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000465431092 516151803 /nfs/dbraw/zinc/15/18/03/516151803.db2.gz RRXQWQWREJJAGI-VQTJNVASSA-N 1 3 360.546 2.533 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000488201859 516157835 /nfs/dbraw/zinc/15/78/35/516157835.db2.gz MYLMIRALCJQQTJ-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479379337 516170538 /nfs/dbraw/zinc/17/05/38/516170538.db2.gz RQKPIKZYLPDBKH-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CCN1Cc1ccccc1 ZINC000479379337 516170548 /nfs/dbraw/zinc/17/05/48/516170548.db2.gz RQKPIKZYLPDBKH-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000465524214 516179314 /nfs/dbraw/zinc/17/93/14/516179314.db2.gz JDHXWIGWQJBPNA-VQTJNVASSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000465524214 516179322 /nfs/dbraw/zinc/17/93/22/516179322.db2.gz JDHXWIGWQJBPNA-VQTJNVASSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507473594 516219562 /nfs/dbraw/zinc/21/95/62/516219562.db2.gz VMQJNBYGFPOPIX-RYFAJOAYSA-N 1 3 357.542 2.597 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000465652597 516221449 /nfs/dbraw/zinc/22/14/49/516221449.db2.gz NKFDKDYSLZECET-CTNGQTDRSA-N 1 3 374.573 2.984 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000465652597 516221455 /nfs/dbraw/zinc/22/14/55/516221455.db2.gz NKFDKDYSLZECET-CTNGQTDRSA-N 1 3 374.573 2.984 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(CC3CCCC3)C2)[C@@H](C)C1 ZINC000483840351 516223865 /nfs/dbraw/zinc/22/38/65/516223865.db2.gz ONVOQCXCNRJDMA-TYPHKJRUSA-N 1 3 351.579 2.978 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CN1C1CC1 ZINC000488496649 516240740 /nfs/dbraw/zinc/24/07/40/516240740.db2.gz KCSLNXWBBWEQGH-SFGWALBWSA-N 1 3 370.541 2.966 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CN1C1CC1 ZINC000488496649 516240746 /nfs/dbraw/zinc/24/07/46/516240746.db2.gz KCSLNXWBBWEQGH-SFGWALBWSA-N 1 3 370.541 2.966 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1sccc1C ZINC000465730943 516240933 /nfs/dbraw/zinc/24/09/33/516240933.db2.gz ZPPHCNKRJLPTJO-MRXNPFEDSA-N 1 3 352.548 2.614 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1sccc1C ZINC000465730943 516240937 /nfs/dbraw/zinc/24/09/37/516240937.db2.gz ZPPHCNKRJLPTJO-MRXNPFEDSA-N 1 3 352.548 2.614 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)N2CCCC2)cc1 ZINC000488519254 516248504 /nfs/dbraw/zinc/24/85/04/516248504.db2.gz UPKDIKOMRBKYMC-IRLDBZIGSA-N 1 3 370.541 2.869 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)N2CCCC2)cc1 ZINC000488519254 516248514 /nfs/dbraw/zinc/24/85/14/516248514.db2.gz UPKDIKOMRBKYMC-IRLDBZIGSA-N 1 3 370.541 2.869 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CC[N@@H+]1C ZINC000465802335 516259816 /nfs/dbraw/zinc/25/98/16/516259816.db2.gz BPDQVPMZDOVRCA-WBVHZDCISA-N 1 3 364.559 2.742 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CC[N@H+]1C ZINC000465802335 516259829 /nfs/dbraw/zinc/25/98/29/516259829.db2.gz BPDQVPMZDOVRCA-WBVHZDCISA-N 1 3 364.559 2.742 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000465816944 516264490 /nfs/dbraw/zinc/26/44/90/516264490.db2.gz SNAFYLKBSDCZKQ-HOJAQTOUSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000465816944 516264502 /nfs/dbraw/zinc/26/45/02/516264502.db2.gz SNAFYLKBSDCZKQ-HOJAQTOUSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000465817094 516265278 /nfs/dbraw/zinc/26/52/78/516265278.db2.gz SNAFYLKBSDCZKQ-SXLOBPIMSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000465817094 516265281 /nfs/dbraw/zinc/26/52/81/516265281.db2.gz SNAFYLKBSDCZKQ-SXLOBPIMSA-N 1 3 358.530 2.914 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000465826819 516268198 /nfs/dbraw/zinc/26/81/98/516268198.db2.gz RHORWFJMLFPKKV-UXHICEINSA-N 1 3 358.530 2.915 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000465826819 516268205 /nfs/dbraw/zinc/26/82/05/516268205.db2.gz RHORWFJMLFPKKV-UXHICEINSA-N 1 3 358.530 2.915 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000460879540 516273499 /nfs/dbraw/zinc/27/34/99/516273499.db2.gz IZISZMMBSZZYAQ-CWJKEVGVSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000460879540 516273501 /nfs/dbraw/zinc/27/35/01/516273501.db2.gz IZISZMMBSZZYAQ-CWJKEVGVSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000554241031 516339980 /nfs/dbraw/zinc/33/99/80/516339980.db2.gz SCKVZHNEKDHSMC-YZGWKJHDSA-N 1 3 356.514 2.529 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)CC1 ZINC000561055933 516354981 /nfs/dbraw/zinc/35/49/81/516354981.db2.gz FOGQCAYTPDMSRG-UHFFFAOYSA-N 1 3 355.486 2.698 20 0 FFADHO c1ncc(NC2CC[NH+](C3CC3)CC2)nc1NC1CCN(C2CC2)CC1 ZINC000561106763 516382984 /nfs/dbraw/zinc/38/29/84/516382984.db2.gz KPSTYLMSQQISTG-UHFFFAOYSA-N 1 3 356.518 2.554 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(Cl)cc1 ZINC000531318462 516404946 /nfs/dbraw/zinc/40/49/46/516404946.db2.gz NFZYZHXXNIEHLJ-ZWKOTPCHSA-N 1 3 362.905 2.598 20 0 FFADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCC1 ZINC000543762964 516416423 /nfs/dbraw/zinc/41/64/23/516416423.db2.gz PQDLDXZYNYROKV-XUVXKRRUSA-N 1 3 355.526 2.922 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000561198887 516445780 /nfs/dbraw/zinc/44/57/80/516445780.db2.gz ZQNKZWAAKIBRAV-SIKLNZKXSA-N 1 3 372.557 2.976 20 0 FFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523455165 516474724 /nfs/dbraw/zinc/47/47/24/516474724.db2.gz CWBJABHKJHZOOS-SFTDATJTSA-N 1 3 370.541 2.921 20 0 FFADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1cccc(F)c1 ZINC000517918293 516492020 /nfs/dbraw/zinc/49/20/20/516492020.db2.gz GANFGJXFNSQIFE-HFSMHLIXSA-N 1 3 356.441 2.575 20 0 FFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000547706795 516510986 /nfs/dbraw/zinc/51/09/86/516510986.db2.gz ZMPPNZHLEAOXLR-ZWKOTPCHSA-N 1 3 360.527 2.996 20 0 FFADHO CCN(CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC1 ZINC000523601645 516517224 /nfs/dbraw/zinc/51/72/24/516517224.db2.gz QNAUPVAJWVZAOM-UHFFFAOYSA-N 1 3 350.551 2.959 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000547732343 516526407 /nfs/dbraw/zinc/52/64/07/516526407.db2.gz IPGNZWSBSHVQPK-UHFFFAOYSA-N 1 3 361.530 2.898 20 0 FFADHO CN(C)CCOc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000547732343 516526416 /nfs/dbraw/zinc/52/64/16/516526416.db2.gz IPGNZWSBSHVQPK-UHFFFAOYSA-N 1 3 361.530 2.898 20 0 FFADHO C[N@H+](CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1)C1CCCCC1 ZINC000547735956 516528855 /nfs/dbraw/zinc/52/88/55/516528855.db2.gz LELUIXUYLJFAPB-NRFANRHFSA-N 1 3 373.541 2.524 20 0 FFADHO C[N@@H+](CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1)C1CCCCC1 ZINC000547735956 516528866 /nfs/dbraw/zinc/52/88/66/516528866.db2.gz LELUIXUYLJFAPB-NRFANRHFSA-N 1 3 373.541 2.524 20 0 FFADHO c1ccc2c(c1)OC[C@H](CN[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)O2 ZINC000518164368 516564441 /nfs/dbraw/zinc/56/44/41/516564441.db2.gz RAVGOJRPHKVYOK-XPIZARPCSA-N 1 3 352.434 2.672 20 0 FFADHO COc1cc(C[C@@H](CO)C[NH2+]C2CCN(C(C)(C)C)CC2)cc(OC)c1 ZINC000513330744 516572795 /nfs/dbraw/zinc/57/27/95/516572795.db2.gz NBUCGYFBVSVROT-QGZVFWFLSA-N 1 3 364.530 2.707 20 0 FFADHO COc1cc(C[C@@H](CO)CNC2CC[NH+](C(C)(C)C)CC2)cc(OC)c1 ZINC000513330744 516572805 /nfs/dbraw/zinc/57/28/05/516572805.db2.gz NBUCGYFBVSVROT-QGZVFWFLSA-N 1 3 364.530 2.707 20 0 FFADHO CN(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)Cc1ccccc1 ZINC000536013409 516593232 /nfs/dbraw/zinc/59/32/32/516593232.db2.gz NMWWKJIDSTVMOM-IBGZPJMESA-N 1 3 360.546 2.723 20 0 FFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000531682974 516596534 /nfs/dbraw/zinc/59/65/34/516596534.db2.gz LQDIOXNNOZBHHC-IBGZPJMESA-N 1 3 374.573 2.561 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000528711657 516637845 /nfs/dbraw/zinc/63/78/45/516637845.db2.gz DOTBPJJKYOHOSB-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO O=C(Nc1ccc2c(c1)OCCNC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000528711657 516637856 /nfs/dbraw/zinc/63/78/56/516637856.db2.gz DOTBPJJKYOHOSB-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528718817 516641019 /nfs/dbraw/zinc/64/10/19/516641019.db2.gz ZGLJWPJGYQPFNO-OAGGEKHMSA-N 1 3 360.502 2.657 20 0 FFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000558254837 516666288 /nfs/dbraw/zinc/66/62/88/516666288.db2.gz BSUCOPDTCLRZDM-MRXNPFEDSA-N 1 3 361.452 2.784 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000518594199 516714654 /nfs/dbraw/zinc/71/46/54/516714654.db2.gz SEFNTQDXKFDRRE-WOJBJXKFSA-N 1 3 358.530 2.868 20 0 FFADHO CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000555006606 516741604 /nfs/dbraw/zinc/74/16/04/516741604.db2.gz IOIUWYWVSDCIPW-KRWDZBQOSA-N 1 3 361.530 2.581 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H](N)Cc3ccccc32)cc1 ZINC000518777084 516769468 /nfs/dbraw/zinc/76/94/68/516769468.db2.gz QMQXXDMWFJNREU-LJQANCHMSA-N 1 3 367.493 2.937 20 0 FFADHO CN(CCC(=O)Nc1cccc(OCCC[NH+](C)C)c1)c1ccncc1 ZINC000540925456 516775665 /nfs/dbraw/zinc/77/56/65/516775665.db2.gz PIYSLVOEJFUZDR-UHFFFAOYSA-N 1 3 356.470 2.877 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000540926251 516777154 /nfs/dbraw/zinc/77/71/54/516777154.db2.gz DSNYNQSJCYXKDM-MJGOQNOKSA-N 1 3 352.482 2.860 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000532074810 516786176 /nfs/dbraw/zinc/78/61/76/516786176.db2.gz KNZGYLODKBISJX-IBGZPJMESA-N 1 3 353.514 2.589 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCN1CC=C(C)CC1 ZINC000555166796 516813090 /nfs/dbraw/zinc/81/30/90/516813090.db2.gz HXWITQBKZJLHAD-UHFFFAOYSA-N 1 3 371.529 2.520 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000555166796 516813101 /nfs/dbraw/zinc/81/31/01/516813101.db2.gz HXWITQBKZJLHAD-UHFFFAOYSA-N 1 3 371.529 2.520 20 0 FFADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000555166796 516813112 /nfs/dbraw/zinc/81/31/12/516813112.db2.gz HXWITQBKZJLHAD-UHFFFAOYSA-N 1 3 371.529 2.520 20 0 FFADHO CC(C)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(F)c1 ZINC000540986284 516816304 /nfs/dbraw/zinc/81/63/04/516816304.db2.gz DMBQPYYQFFYHIZ-QAPCUYQASA-N 1 3 353.457 2.839 20 0 FFADHO CC[NH+](CC)CCOCCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000544596361 516829750 /nfs/dbraw/zinc/82/97/50/516829750.db2.gz WXSZIQLZQBAQCP-UHFFFAOYSA-N 1 3 356.894 2.949 20 0 FFADHO C[C@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000519013619 516855388 /nfs/dbraw/zinc/85/53/88/516855388.db2.gz NJOKXFCUKPKLLI-GOSISDBHSA-N 1 3 372.557 2.854 20 0 FFADHO CO[C@@H](CN(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514118951 516871631 /nfs/dbraw/zinc/87/16/31/516871631.db2.gz PCOSMZBHFTWKEB-IBGZPJMESA-N 1 3 353.938 2.985 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)C[C@@H](C)O1 ZINC000536710879 516905323 /nfs/dbraw/zinc/90/53/23/516905323.db2.gz ZIAWWZSGLWLFEU-IAGOWNOFSA-N 1 3 371.529 2.680 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000519178263 516915017 /nfs/dbraw/zinc/91/50/17/516915017.db2.gz FHLWQLLRDQHEES-RTWAWAEBSA-N 1 3 373.516 2.994 20 0 FFADHO OCCN1CCN(CCCC[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000536776134 516930197 /nfs/dbraw/zinc/93/01/97/516930197.db2.gz LIFJKQOVJXGDNN-HXUWFJFHSA-N 1 3 365.587 2.959 20 0 FFADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC(C)(C)C[NH+](C)C ZINC000541223459 516936075 /nfs/dbraw/zinc/93/60/75/516936075.db2.gz IPQMVRQNLALZRX-HNNXBMFYSA-N 1 3 374.529 2.930 20 0 FFADHO Cc1nn(Cc2ccccc2)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000532374683 516941020 /nfs/dbraw/zinc/94/10/20/516941020.db2.gz PQWINVXQKOIHQP-UHFFFAOYSA-N 1 3 370.541 2.873 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000558899167 516994064 /nfs/dbraw/zinc/99/40/64/516994064.db2.gz WGXDMKKWVMMHMO-YJBOKZPZSA-N 1 3 366.937 2.974 20 0 FFADHO COCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000552042643 517046907 /nfs/dbraw/zinc/04/69/07/517046907.db2.gz RUENSSUGBRBYTQ-WZYRSQIMSA-N 1 3 371.569 2.988 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529289196 517053102 /nfs/dbraw/zinc/05/31/02/517053102.db2.gz LXEZUNZKTDSYFI-LJQANCHMSA-N 1 3 356.514 2.543 20 0 FFADHO COC[C@@]1(C)CCN(Cc2cncc(CN3CC[C@](C)(COC)C3)c2)C1 ZINC000514840870 517082677 /nfs/dbraw/zinc/08/26/77/517082677.db2.gz LVDLYEHEFHQDKL-SFTDATJTSA-N 1 3 361.530 2.798 20 0 FFADHO COC[C@@]1(C)CCN(Cc2cncc(C[N@@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000514840870 517082685 /nfs/dbraw/zinc/08/26/85/517082685.db2.gz LVDLYEHEFHQDKL-SFTDATJTSA-N 1 3 361.530 2.798 20 0 FFADHO COC[C@@]1(C)CCN(Cc2cncc(C[N@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000514840870 517082694 /nfs/dbraw/zinc/08/26/94/517082694.db2.gz LVDLYEHEFHQDKL-SFTDATJTSA-N 1 3 361.530 2.798 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529327679 517084086 /nfs/dbraw/zinc/08/40/86/517084086.db2.gz CGWHIFAFGDKFSR-RTBURBONSA-N 1 3 370.541 2.871 20 0 FFADHO CN(CCC[NH+](C)C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000537213521 517092101 /nfs/dbraw/zinc/09/21/01/517092101.db2.gz CEGXJYHJRJQXNW-SFHVURJKSA-N 1 3 371.447 2.851 20 0 FFADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000529353658 517096134 /nfs/dbraw/zinc/09/61/34/517096134.db2.gz ZCNISSSHKSRLJD-PZJWPPBQSA-N 1 3 368.525 2.579 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529359433 517100125 /nfs/dbraw/zinc/10/01/25/517100125.db2.gz KWEONWYYVJWSLP-MJGOQNOKSA-N 1 3 356.514 2.577 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529362021 517102248 /nfs/dbraw/zinc/10/22/48/517102248.db2.gz RHTMFKWANGORLT-PKOBYXMFSA-N 1 3 356.514 2.577 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529364061 517104218 /nfs/dbraw/zinc/10/42/18/517104218.db2.gz XLRYDZBEHVLJKA-VQTJNVASSA-N 1 3 370.541 2.825 20 0 FFADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)[C@@H](c2ccccc2)C1 ZINC000552223377 517148726 /nfs/dbraw/zinc/14/87/26/517148726.db2.gz SMGIQJIXVHEGML-SSGKUCQKSA-N 1 3 370.585 2.828 20 0 FFADHO O=C1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000552263705 517167411 /nfs/dbraw/zinc/16/74/11/517167411.db2.gz MYJVABDAJGWELM-DOIPELPJSA-N 1 3 355.526 2.936 20 0 FFADHO CN(CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000541854944 517253105 /nfs/dbraw/zinc/25/31/05/517253105.db2.gz HYCKKYFHHRCOLG-LJQANCHMSA-N 1 3 352.482 2.689 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000520004227 517258633 /nfs/dbraw/zinc/25/86/33/517258633.db2.gz VRWFRBUQEZKQDZ-SFHVURJKSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)N1CCC(C)CC1 ZINC000520067757 517268094 /nfs/dbraw/zinc/26/80/94/517268094.db2.gz GJFUOBLEDTZYRY-IEBWSBKVSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)N1CCC(C)CC1 ZINC000520067756 517269553 /nfs/dbraw/zinc/26/95/53/517269553.db2.gz GJFUOBLEDTZYRY-HKUYNNGSSA-N 1 3 352.567 2.917 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000556112403 517272972 /nfs/dbraw/zinc/27/29/72/517272972.db2.gz DTXVTARBKPNUPP-OPYAIIAOSA-N 1 3 357.498 2.753 20 0 FFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000520201441 517297124 /nfs/dbraw/zinc/29/71/24/517297124.db2.gz OJQOYGKONKYHDT-KSZLIROESA-N 1 3 352.567 2.869 20 0 FFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000520201441 517297129 /nfs/dbraw/zinc/29/71/29/517297129.db2.gz OJQOYGKONKYHDT-KSZLIROESA-N 1 3 352.567 2.869 20 0 FFADHO CN1CCC(Oc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)CC1 ZINC000520261675 517323108 /nfs/dbraw/zinc/32/31/08/517323108.db2.gz SHFROMLMIZBZLX-UHFFFAOYSA-N 1 3 367.484 2.979 20 0 FFADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc2c(c1)CNC2 ZINC000562772746 517384528 /nfs/dbraw/zinc/38/45/28/517384528.db2.gz YVQOFOICOWIFRA-UHFFFAOYSA-N 1 3 351.454 2.723 20 0 FFADHO CCc1nncn1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000562778006 517388365 /nfs/dbraw/zinc/38/83/65/517388365.db2.gz FUEYYZAGLGNULE-AQNXPRMDSA-N 1 3 353.514 2.873 20 0 FFADHO CCc1nncn1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000562778006 517388371 /nfs/dbraw/zinc/38/83/71/517388371.db2.gz FUEYYZAGLGNULE-AQNXPRMDSA-N 1 3 353.514 2.873 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCOc2ncccc2F)CC1 ZINC000533329510 517409623 /nfs/dbraw/zinc/40/96/23/517409623.db2.gz WYNFPJCRTCRELN-UHFFFAOYSA-N 1 3 372.488 2.921 20 0 FFADHO C[C@H]1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000520541665 517427788 /nfs/dbraw/zinc/42/77/88/517427788.db2.gz VFXFXPOLECHODK-ROUUACIJSA-N 1 3 374.529 3.000 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000520547953 517431995 /nfs/dbraw/zinc/43/19/95/517431995.db2.gz YQLBVSFONGHOBZ-MJGOQNOKSA-N 1 3 358.530 2.586 20 0 FFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000562821181 517434409 /nfs/dbraw/zinc/43/44/09/517434409.db2.gz YIAFJEUAYVVZJT-CEXWTWQISA-N 1 3 358.530 2.584 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000520734982 517494374 /nfs/dbraw/zinc/49/43/74/517494374.db2.gz YLOATSOWZASZIR-GIVPXCGWSA-N 1 3 373.541 2.673 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000520734982 517494384 /nfs/dbraw/zinc/49/43/84/517494384.db2.gz YLOATSOWZASZIR-GIVPXCGWSA-N 1 3 373.541 2.673 20 0 FFADHO O=c1ccccn1Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000538211156 517504558 /nfs/dbraw/zinc/50/45/58/517504558.db2.gz BLWWYTNIFHEVRJ-UHFFFAOYSA-N 1 3 351.494 2.861 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553127552 517535661 /nfs/dbraw/zinc/53/56/61/517535661.db2.gz JFLLLYMTMVAJCZ-MSOLQXFVSA-N 1 3 353.576 2.585 20 0 FFADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)COCc1cccs1 ZINC000562990986 517564403 /nfs/dbraw/zinc/56/44/03/517564403.db2.gz KHEWWEYTUMPVIA-GOSISDBHSA-N 1 3 361.511 2.527 20 0 FFADHO CN1CC[NH+](CCCCN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000542479756 517588087 /nfs/dbraw/zinc/58/80/87/517588087.db2.gz UWOXIDYOQHMTBK-NRFANRHFSA-N 1 3 356.489 2.927 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[NH2+]CC1CC1 ZINC000563090973 517652664 /nfs/dbraw/zinc/65/26/64/517652664.db2.gz QTBTVDOGQUGPLY-UHFFFAOYSA-N 1 3 357.420 2.595 20 0 FFADHO CC(C)Oc1cc(F)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527381883 517669145 /nfs/dbraw/zinc/66/91/45/517669145.db2.gz MHPLZBLLSDHHGO-UHFFFAOYSA-N 1 3 354.470 2.570 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000549807889 517718586 /nfs/dbraw/zinc/71/85/86/517718586.db2.gz PYTKXDCIYFBWES-NQIIRXRSSA-N 1 3 373.541 2.524 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000549807889 517718594 /nfs/dbraw/zinc/71/85/94/517718594.db2.gz PYTKXDCIYFBWES-NQIIRXRSSA-N 1 3 373.541 2.524 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CCCCCN2)ccc1OC ZINC000563198047 517727759 /nfs/dbraw/zinc/72/77/59/517727759.db2.gz AEDRPMXQULCKEF-KRWDZBQOSA-N 1 3 363.502 2.887 20 0 FFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C2CC2)s1 ZINC000521463662 517742913 /nfs/dbraw/zinc/74/29/13/517742913.db2.gz KGDWLRBIYCOEME-HNNXBMFYSA-N 1 3 350.532 2.509 20 0 FFADHO Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563215724 517745836 /nfs/dbraw/zinc/74/58/36/517745836.db2.gz YVXUUYGRVHKIMN-MOPGFXCFSA-N 1 3 370.541 2.855 20 0 FFADHO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1 ZINC000521585705 517786036 /nfs/dbraw/zinc/78/60/36/517786036.db2.gz UXRKHOHAAIMCHT-PKOBYXMFSA-N 1 3 353.551 2.504 20 0 FFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000521698027 517832905 /nfs/dbraw/zinc/83/29/05/517832905.db2.gz NGMKUQQEZDMIKT-QWFCFKBJSA-N 1 3 360.546 2.721 20 0 FFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)CC2)oc1C ZINC000560525936 517871268 /nfs/dbraw/zinc/87/12/68/517871268.db2.gz CDGXICHOYIXSMY-VAMGGRTRSA-N 1 3 360.546 2.966 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C4CC4)[C@@H]3C3CC3)CC2)CC1 ZINC000563410270 517887048 /nfs/dbraw/zinc/88/70/48/517887048.db2.gz WGPQCLLCRHUHLU-RTWAWAEBSA-N 1 3 359.558 2.830 20 0 FFADHO C[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000539085452 517906820 /nfs/dbraw/zinc/90/68/20/517906820.db2.gz ODAOKVKFWIHBJI-IEZWGBDMSA-N 1 3 368.543 2.633 20 0 FFADHO CS[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000543182873 517951942 /nfs/dbraw/zinc/95/19/42/517951942.db2.gz CTMVGYODQSXPEK-QGZVFWFLSA-N 1 3 370.607 2.622 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N(C)Cc1ccccc1 ZINC000522075491 517978614 /nfs/dbraw/zinc/97/86/14/517978614.db2.gz LHANAUNHNXTNID-OALUTQOASA-N 1 3 360.546 2.927 20 0 FFADHO CCS(=O)(=O)C[C@H](C)[NH2+]CC[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000539298469 517983527 /nfs/dbraw/zinc/98/35/27/517983527.db2.gz RHPNYOSNQSIBMG-LNLFQRSKSA-N 1 3 352.544 2.700 20 0 FFADHO C[C@]1(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000563593392 518007653 /nfs/dbraw/zinc/00/76/53/518007653.db2.gz NTLNGZUOAJVOOW-SVFBPWRDSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@]1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)CCCN1Cc1ccccc1 ZINC000563593769 518008606 /nfs/dbraw/zinc/00/86/06/518008606.db2.gz WEXQGCJFKGHHEG-TZIWHRDSSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1CCC(C)CC1 ZINC000553997351 518015579 /nfs/dbraw/zinc/01/55/79/518015579.db2.gz WWEXXNZBJNHRRI-SFHVURJKSA-N 1 3 364.534 2.863 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522176957 518019353 /nfs/dbraw/zinc/01/93/53/518019353.db2.gz HAJXGAWUKLBOEP-OAQYLSRUSA-N 1 3 372.557 2.922 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557524139 518053574 /nfs/dbraw/zinc/05/35/74/518053574.db2.gz DWACBQHQWFTCNE-RBSFLKMASA-N 1 3 363.468 2.743 20 0 FFADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557524139 518053581 /nfs/dbraw/zinc/05/35/81/518053581.db2.gz DWACBQHQWFTCNE-RBSFLKMASA-N 1 3 363.468 2.743 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000522289555 518066372 /nfs/dbraw/zinc/06/63/72/518066372.db2.gz NQYWTHVZPQGRLW-XLIONFOSSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000522289555 518066381 /nfs/dbraw/zinc/06/63/81/518066381.db2.gz NQYWTHVZPQGRLW-XLIONFOSSA-N 1 3 370.541 2.954 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000530966614 518074786 /nfs/dbraw/zinc/07/47/86/518074786.db2.gz YANOINDXRWNFJL-HDICACEKSA-N 1 3 358.530 2.986 20 0 FFADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000517273397 518104790 /nfs/dbraw/zinc/10/47/90/518104790.db2.gz NKQMKDQZCXMTDM-FXAWDEMLSA-N 1 3 361.530 2.615 20 0 FFADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000517273397 518104797 /nfs/dbraw/zinc/10/47/97/518104797.db2.gz NKQMKDQZCXMTDM-FXAWDEMLSA-N 1 3 361.530 2.615 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(CCc3cccc(F)c3F)CC2)CC1 ZINC000543521203 518125770 /nfs/dbraw/zinc/12/57/70/518125770.db2.gz JLYNCTXTALDVRD-UHFFFAOYSA-N 1 3 351.485 2.857 20 0 FFADHO CC[NH+](CC)CCOC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000539861884 518172740 /nfs/dbraw/zinc/17/27/40/518172740.db2.gz YSVLIRUVVUJFNF-UHFFFAOYSA-N 1 3 359.518 2.600 20 0 FFADHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[NH+]1CCC(C)CC1 ZINC000535367021 518176784 /nfs/dbraw/zinc/17/67/84/518176784.db2.gz WIZYWTJYRJWRLN-HOJAQTOUSA-N 1 3 358.530 2.851 20 0 FFADHO [NH3+]C[C@H]1CN(CCOc2cccc(Br)c2)CC12CCOCC2 ZINC000566796907 518210134 /nfs/dbraw/zinc/21/01/34/518210134.db2.gz QJNNMLACJLFUSW-AWEZNQCLSA-N 1 3 369.303 2.515 20 0 FFADHO C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000581305492 518222553 /nfs/dbraw/zinc/22/25/53/518222553.db2.gz KVWRVEUPJJAOIX-OALUTQOASA-N 1 3 353.510 2.868 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000569690847 518243013 /nfs/dbraw/zinc/24/30/13/518243013.db2.gz QKEYVTPOIMABPY-YLJYHZDGSA-N 1 3 358.530 2.622 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000569690847 518243018 /nfs/dbraw/zinc/24/30/18/518243018.db2.gz QKEYVTPOIMABPY-YLJYHZDGSA-N 1 3 358.530 2.622 20 0 FFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000566902827 518257431 /nfs/dbraw/zinc/25/74/31/518257431.db2.gz PUCZVWDWPFRCOX-AZUAARDMSA-N 1 3 358.461 2.934 20 0 FFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)C1 ZINC000581380081 518257591 /nfs/dbraw/zinc/25/75/91/518257591.db2.gz HGNMGCPAKJSJIL-FGTMMUONSA-N 1 3 371.447 2.938 20 0 FFADHO [NH3+]CC1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000572612884 518278398 /nfs/dbraw/zinc/27/83/98/518278398.db2.gz NBFTVZWNNAAZBV-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO C[C@]1(CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]C1 ZINC000572618589 518281133 /nfs/dbraw/zinc/28/11/33/518281133.db2.gz SLPCEWNYTNZHSW-APWZRJJASA-N 1 3 364.559 2.649 20 0 FFADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000584405935 518325449 /nfs/dbraw/zinc/32/54/49/518325449.db2.gz KDCSXPWHGKVMGT-UMVBOHGHSA-N 1 3 371.294 2.879 20 0 FFADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000584405935 518325458 /nfs/dbraw/zinc/32/54/58/518325458.db2.gz KDCSXPWHGKVMGT-UMVBOHGHSA-N 1 3 371.294 2.879 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccc(F)cc1C ZINC000584411585 518328466 /nfs/dbraw/zinc/32/84/66/518328466.db2.gz QHVSQVHGIZRDEA-MTFMMBMASA-N 1 3 361.505 2.501 20 0 FFADHO CNC(=O)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccc(F)cc1C ZINC000584411585 518328473 /nfs/dbraw/zinc/32/84/73/518328473.db2.gz QHVSQVHGIZRDEA-MTFMMBMASA-N 1 3 361.505 2.501 20 0 FFADHO CN(C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000584458204 518351081 /nfs/dbraw/zinc/35/10/81/518351081.db2.gz WJZJYVKBXCCSSE-CQSZACIVSA-N 1 3 366.893 2.639 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC(C)(C)COC)CC2)CC1 ZINC000581617113 518374319 /nfs/dbraw/zinc/37/43/19/518374319.db2.gz JFGMHCJOVPOQTB-UHFFFAOYSA-N 1 3 367.578 2.752 20 0 FFADHO CN1CCC(O)(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000570023843 518404175 /nfs/dbraw/zinc/40/41/75/518404175.db2.gz PDXHHNMZKQJADV-UHFFFAOYSA-N 1 3 369.513 2.607 20 0 FFADHO COc1cc(NC(=O)c2ccccc2CN(C)C)ccc1OCC[NH+](C)C ZINC000578861163 518409598 /nfs/dbraw/zinc/40/95/98/518409598.db2.gz BIZLXQLXKMFZGK-UHFFFAOYSA-N 1 3 371.481 2.950 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000584715299 518443316 /nfs/dbraw/zinc/44/33/16/518443316.db2.gz PSZIXWFYYZCXLL-IAGOWNOFSA-N 1 3 370.534 2.947 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000581776797 518448929 /nfs/dbraw/zinc/44/89/29/518448929.db2.gz RHRTVOOFCQAEJQ-SXLOBPIMSA-N 1 3 358.530 2.758 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000576157834 518455508 /nfs/dbraw/zinc/45/55/08/518455508.db2.gz RVRJEBDCKMFAFL-HXUWFJFHSA-N 1 3 352.482 2.609 20 0 FFADHO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000570149790 518463843 /nfs/dbraw/zinc/46/38/43/518463843.db2.gz TZIMWJNIUHRJAW-APWZRJJASA-N 1 3 357.498 2.804 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000576216317 518485480 /nfs/dbraw/zinc/48/54/80/518485480.db2.gz CQSDVFQAYVGIQQ-VQTJNVASSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000576216317 518485483 /nfs/dbraw/zinc/48/54/83/518485483.db2.gz CQSDVFQAYVGIQQ-VQTJNVASSA-N 1 3 370.541 2.825 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000576277584 518514282 /nfs/dbraw/zinc/51/42/82/518514282.db2.gz IEWYFMLJOUGGOC-UHFFFAOYSA-N 1 3 352.482 2.609 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C[C@@]1(C)C[NH3+] ZINC000579090764 518517836 /nfs/dbraw/zinc/51/78/36/518517836.db2.gz SLDGQQQKASYYEQ-IIDMSEBBSA-N 1 3 350.532 2.511 20 0 FFADHO CCOC[C@H]1CCN(Cc2cncc(C[N@@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000570277518 518528740 /nfs/dbraw/zinc/52/87/40/518528740.db2.gz DDZUYSMPYKRKFB-OALUTQOASA-N 1 3 361.530 2.798 20 0 FFADHO CCOC[C@H]1CCN(Cc2cncc(C[N@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000570277518 518528746 /nfs/dbraw/zinc/52/87/46/518528746.db2.gz DDZUYSMPYKRKFB-OALUTQOASA-N 1 3 361.530 2.798 20 0 FFADHO CCCN(C(=O)COC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000570283331 518531025 /nfs/dbraw/zinc/53/10/25/518531025.db2.gz YBARMKJQRKFGOD-FQEVSTJZSA-N 1 3 373.541 2.658 20 0 FFADHO O=C1CC[C@@H](N[C@H]2CCSc3ccc(F)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000581997245 518538331 /nfs/dbraw/zinc/53/83/31/518538331.db2.gz PVZUHJHSETYHIF-FCEWJHQRSA-N 1 3 363.502 2.599 20 0 FFADHO C[C@@H](CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1)S(C)(=O)=O ZINC000582057331 518568355 /nfs/dbraw/zinc/56/83/55/518568355.db2.gz FJXLJCCUJUZQKU-INIZCTEOSA-N 1 3 360.523 2.938 20 0 FFADHO Cc1ccc(-c2nc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)co2)cc1 ZINC000564824486 518634962 /nfs/dbraw/zinc/63/49/62/518634962.db2.gz PMKLRLFRDRUPBP-XUVXKRRUSA-N 1 3 355.482 2.939 20 0 FFADHO Cc1ccc(NC(=O)C2(CNC[C@H](O)C[N@@H+](C)C3CC3)CCCC2)cc1C ZINC000570509281 518641385 /nfs/dbraw/zinc/64/13/85/518641385.db2.gz WTBMIHNDIXEKOQ-FQEVSTJZSA-N 1 3 373.541 2.847 20 0 FFADHO Cc1ccc(NC(=O)C2(CNC[C@H](O)C[N@H+](C)C3CC3)CCCC2)cc1C ZINC000570509281 518641391 /nfs/dbraw/zinc/64/13/91/518641391.db2.gz WTBMIHNDIXEKOQ-FQEVSTJZSA-N 1 3 373.541 2.847 20 0 FFADHO O=C(CN1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1 ZINC000582408079 518739486 /nfs/dbraw/zinc/73/94/86/518739486.db2.gz ULNVCCABVADWTG-QHAWAJNXSA-N 1 3 370.541 2.600 20 0 FFADHO NC[C@H](NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000579572697 518746492 /nfs/dbraw/zinc/74/64/92/518746492.db2.gz PVOUJINEXMNOHL-HAGHYFMRSA-N 1 3 352.482 2.608 20 0 FFADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CC(=O)N(C3CC3)C1)c1ccccc1O2 ZINC000565095481 518783156 /nfs/dbraw/zinc/78/31/56/518783156.db2.gz YWUGORKVUALRDZ-APWZRJJASA-N 1 3 369.509 2.575 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCNc3ccccc3)CC2)CC1 ZINC000576847812 518794283 /nfs/dbraw/zinc/79/42/83/518794283.db2.gz XZCNDXXRODYUKN-UHFFFAOYSA-N 1 3 372.557 2.801 20 0 FFADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000579690185 518804098 /nfs/dbraw/zinc/80/40/98/518804098.db2.gz DKPTZNXRGUVLEK-JENIJYKNSA-N 1 3 358.530 2.899 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000570839850 518805938 /nfs/dbraw/zinc/80/59/38/518805938.db2.gz PBWOLKSHDFDYLV-UZLBHIALSA-N 1 3 352.482 2.608 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000570843727 518807380 /nfs/dbraw/zinc/80/73/80/518807380.db2.gz QHQLZLDNGQFVGD-KSZLIROESA-N 1 3 372.513 2.662 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000570843717 518807904 /nfs/dbraw/zinc/80/79/04/518807904.db2.gz QHQLZLDNGQFVGD-BZSNNMDCSA-N 1 3 372.513 2.662 20 0 FFADHO COCC[NH+]1CCC(N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC1 ZINC000582573374 518817294 /nfs/dbraw/zinc/81/72/94/518817294.db2.gz LKOJQWLQGCSRHK-SFTDATJTSA-N 1 3 354.498 2.812 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C(F)(F)F)CC2)CC1 ZINC000565207310 518844056 /nfs/dbraw/zinc/84/40/56/518844056.db2.gz YUSXHQBGCCIIGF-UHFFFAOYSA-N 1 3 363.468 2.887 20 0 FFADHO [NH3+][C@@H](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)Cc1ccccc1 ZINC000571041523 518899134 /nfs/dbraw/zinc/89/91/34/518899134.db2.gz SPNGUUKYTPAEJF-RTWAWAEBSA-N 1 3 351.494 2.900 20 0 FFADHO C[C@@H]1CN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[C@@]1(C)C[NH3+] ZINC000582835219 518944524 /nfs/dbraw/zinc/94/45/24/518944524.db2.gz YZWZNTMXPACNIV-YLJYHZDGSA-N 1 3 358.530 2.667 20 0 FFADHO CN(C)C[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc(Cl)cc1 ZINC000574080172 518977399 /nfs/dbraw/zinc/97/73/99/518977399.db2.gz ODOXYXQBYZBBOY-RBUKOAKNSA-N 1 3 357.885 2.946 20 0 FFADHO CC(C)C1CCC(N2CCN(C(=O)NCC3CC[NH2+]CC3)CC2)CC1 ZINC000565529117 519003119 /nfs/dbraw/zinc/00/31/19/519003119.db2.gz IIGCECKQPUIYIK-UHFFFAOYSA-N 1 3 350.551 2.528 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1ccccc1 ZINC000577282788 519005711 /nfs/dbraw/zinc/00/57/11/519005711.db2.gz XLORAOJUFYJEFY-JAXLGGSGSA-N 1 3 373.541 2.592 20 0 FFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000574151388 519012983 /nfs/dbraw/zinc/01/29/83/519012983.db2.gz MHZPAKMBRBSKOQ-HOCLYGCPSA-N 1 3 371.319 2.510 20 0 FFADHO O=C(Nc1cccc(CN2CCCCC2)c1)C1(n2cccn2)CC[NH2+]CC1 ZINC000565602304 519038701 /nfs/dbraw/zinc/03/87/01/519038701.db2.gz UEIDHRBPJMGREW-UHFFFAOYSA-N 1 3 367.497 2.586 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1F ZINC000565626195 519049233 /nfs/dbraw/zinc/04/92/33/519049233.db2.gz NSUAIKQEGYKCDP-MRXNPFEDSA-N 1 3 369.912 2.896 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(Cl)c1F ZINC000565626195 519049242 /nfs/dbraw/zinc/04/92/42/519049242.db2.gz NSUAIKQEGYKCDP-MRXNPFEDSA-N 1 3 369.912 2.896 20 0 FFADHO Cn1nccc1-c1ccccc1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000574225980 519049910 /nfs/dbraw/zinc/04/99/10/519049910.db2.gz GJHOFIDSLASGOA-VXKWHMMOSA-N 1 3 368.525 2.945 20 0 FFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000565652421 519063387 /nfs/dbraw/zinc/06/33/87/519063387.db2.gz NJHOCGYKCZEXSS-GDBMZVCRSA-N 1 3 360.420 2.767 20 0 FFADHO NCc1cn([C@H]2CCC[N@H+](CCOc3cccc4ccccc43)C2)nn1 ZINC000568492895 519067043 /nfs/dbraw/zinc/06/70/43/519067043.db2.gz RVKCYIFJXRBFGS-SFHVURJKSA-N 1 3 351.454 2.606 20 0 FFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000574274366 519075348 /nfs/dbraw/zinc/07/53/48/519075348.db2.gz DXRCMKAKWQGMKD-NHCUHLMSSA-N 1 3 373.541 2.557 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000565723959 519100681 /nfs/dbraw/zinc/10/06/81/519100681.db2.gz AZRPPIJPMTUXMN-IBGZPJMESA-N 1 3 355.526 2.843 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000565723959 519100688 /nfs/dbraw/zinc/10/06/88/519100688.db2.gz AZRPPIJPMTUXMN-IBGZPJMESA-N 1 3 355.526 2.843 20 0 FFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000574504573 519186343 /nfs/dbraw/zinc/18/63/43/519186343.db2.gz YJUZCJPWJMIZGG-UNMCSNQZSA-N 1 3 366.509 2.967 20 0 FFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000574504573 519186349 /nfs/dbraw/zinc/18/63/49/519186349.db2.gz YJUZCJPWJMIZGG-UNMCSNQZSA-N 1 3 366.509 2.967 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000577745699 519234332 /nfs/dbraw/zinc/23/43/32/519234332.db2.gz RZCFYBRMUCHOEC-UYAOXDASSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN(C2CCC2)C1 ZINC000577745699 519234339 /nfs/dbraw/zinc/23/43/39/519234339.db2.gz RZCFYBRMUCHOEC-UYAOXDASSA-N 1 3 355.526 2.841 20 0 FFADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccc4c(n3)CCC4)cc2)CC1 ZINC000574616994 519243634 /nfs/dbraw/zinc/24/36/34/519243634.db2.gz DPABUGOZIAUNIJ-UHFFFAOYSA-N 1 3 364.537 2.998 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000580621648 519269015 /nfs/dbraw/zinc/26/90/15/519269015.db2.gz HGXPSSPORNCWLW-PXNSSMCTSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000580621648 519269021 /nfs/dbraw/zinc/26/90/21/519269021.db2.gz HGXPSSPORNCWLW-PXNSSMCTSA-N 1 3 360.546 2.925 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1cccc2[nH]ccc21 ZINC000566111732 519307335 /nfs/dbraw/zinc/30/73/35/519307335.db2.gz FTQDQJIWVJFIKQ-SFHVURJKSA-N 1 3 357.498 2.904 20 0 FFADHO CO[C@H](CN)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000566172032 519348930 /nfs/dbraw/zinc/34/89/30/519348930.db2.gz WAFPBPRCZHFLAR-OAQYLSRUSA-N 1 3 367.493 2.539 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@H]1c1cccs1 ZINC000572014115 519399631 /nfs/dbraw/zinc/39/96/31/519399631.db2.gz UMGXDMPETZKTRX-LHHMISFZSA-N 1 3 364.559 2.948 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000581000730 519469455 /nfs/dbraw/zinc/46/94/55/519469455.db2.gz AXCJURZAJHBRGE-MAUKXSAKSA-N 1 3 364.559 2.871 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000578226757 519484810 /nfs/dbraw/zinc/48/48/10/519484810.db2.gz XZPOWNXQKNQJIO-RTBURBONSA-N 1 3 358.530 2.586 20 0 FFADHO C[C@@H](Cc1cc(Br)ccc1F)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000583929296 519504953 /nfs/dbraw/zinc/50/49/53/519504953.db2.gz APJSSZBKROZKCX-NHYWBVRUSA-N 1 3 359.283 2.564 20 0 FFADHO C[C@@H](Cc1cc(Br)ccc1F)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000583929296 519504961 /nfs/dbraw/zinc/50/49/61/519504961.db2.gz APJSSZBKROZKCX-NHYWBVRUSA-N 1 3 359.283 2.564 20 0 FFADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)C1(C)C ZINC000581070561 519508652 /nfs/dbraw/zinc/50/86/52/519508652.db2.gz WQUAFCMFWJXVFI-MDZRGWNJSA-N 1 3 367.921 2.591 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN(C)C1CC1 ZINC000591099103 519510245 /nfs/dbraw/zinc/51/02/45/519510245.db2.gz BLAACKKQKUQQCC-QGZVFWFLSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN(C)C1CC1 ZINC000591099103 519510252 /nfs/dbraw/zinc/51/02/52/519510252.db2.gz BLAACKKQKUQQCC-QGZVFWFLSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN(C)C1CC1 ZINC000591099102 519511039 /nfs/dbraw/zinc/51/10/39/519511039.db2.gz BLAACKKQKUQQCC-KRWDZBQOSA-N 1 3 359.514 2.764 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN(C)C1CC1 ZINC000591099102 519511041 /nfs/dbraw/zinc/51/10/41/519511041.db2.gz BLAACKKQKUQQCC-KRWDZBQOSA-N 1 3 359.514 2.764 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)NCC1(SC)CCN(C)CC1)CC(C)C ZINC000572250970 519518684 /nfs/dbraw/zinc/51/86/84/519518684.db2.gz OLIXQOIYROSDNV-QGZVFWFLSA-N 1 3 372.623 2.870 20 0 FFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000566509360 519527011 /nfs/dbraw/zinc/52/70/11/519527011.db2.gz SVCPSVSWBNBTRE-RTWAWAEBSA-N 1 3 366.509 2.645 20 0 FFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000566509360 519527021 /nfs/dbraw/zinc/52/70/21/519527021.db2.gz SVCPSVSWBNBTRE-RTWAWAEBSA-N 1 3 366.509 2.645 20 0 FFADHO CCN(CC)[C@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccsc1 ZINC000566617278 519580720 /nfs/dbraw/zinc/58/07/20/519580720.db2.gz MRECOEUALSUCNF-OFLPRAFFSA-N 1 3 353.532 2.534 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000584170833 519622883 /nfs/dbraw/zinc/62/28/83/519622883.db2.gz MBDSISMAPRVMTC-UGKGYDQZSA-N 1 3 363.505 2.554 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000584170833 519622889 /nfs/dbraw/zinc/62/28/89/519622889.db2.gz MBDSISMAPRVMTC-UGKGYDQZSA-N 1 3 363.505 2.554 20 0 FFADHO CN1CCC[C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H]1c1cccs1 ZINC000612974043 520250410 /nfs/dbraw/zinc/25/04/10/520250410.db2.gz NXSBFCIVTVHRKU-OIISXLGYSA-N 1 3 362.543 2.572 20 0 FFADHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000617015118 520285599 /nfs/dbraw/zinc/28/55/99/520285599.db2.gz VHUCALHJZHHUDO-FQEVSTJZSA-N 1 3 372.557 2.578 20 0 FFADHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000617015118 520285608 /nfs/dbraw/zinc/28/56/08/520285608.db2.gz VHUCALHJZHHUDO-FQEVSTJZSA-N 1 3 372.557 2.578 20 0 FFADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000592493449 520417227 /nfs/dbraw/zinc/41/72/27/520417227.db2.gz RKEZCABOAJXNCZ-ZWKOTPCHSA-N 1 3 372.513 2.663 20 0 FFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000617343077 520439718 /nfs/dbraw/zinc/43/97/18/520439718.db2.gz LHKYMZLGWUIONU-UXHICEINSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000617343077 520439724 /nfs/dbraw/zinc/43/97/24/520439724.db2.gz LHKYMZLGWUIONU-UXHICEINSA-N 1 3 357.542 2.930 20 0 FFADHO O=C(NCCCCC[NH+]1CCCCC1)N1CCN(c2ccncc2)CC1 ZINC000600901576 520520350 /nfs/dbraw/zinc/52/03/50/520520350.db2.gz YCKHUHMXZOFFOZ-UHFFFAOYSA-N 1 3 359.518 2.569 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000617504051 520539758 /nfs/dbraw/zinc/53/97/58/520539758.db2.gz GJXYCACMMYIUAG-AWEZNQCLSA-N 1 3 359.436 2.636 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000617504051 520539764 /nfs/dbraw/zinc/53/97/64/520539764.db2.gz GJXYCACMMYIUAG-AWEZNQCLSA-N 1 3 359.436 2.636 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000617505648 520543443 /nfs/dbraw/zinc/54/34/43/520543443.db2.gz LOJKMULGVRUVLD-WEYGHZABSA-N 1 3 357.542 2.669 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000617505648 520543455 /nfs/dbraw/zinc/54/34/55/520543455.db2.gz LOJKMULGVRUVLD-WEYGHZABSA-N 1 3 357.542 2.669 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000604644085 520627155 /nfs/dbraw/zinc/62/71/55/520627155.db2.gz REZRWZFBZRGNKP-WSTZPKSXSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000604644085 520627164 /nfs/dbraw/zinc/62/71/64/520627164.db2.gz REZRWZFBZRGNKP-WSTZPKSXSA-N 1 3 358.530 2.805 20 0 FFADHO CCN(C(=O)c1ccc(OCC[NH+](CC)CC)cc1)[C@H]1CCN(CC)C1 ZINC000617930781 520786573 /nfs/dbraw/zinc/78/65/73/520786573.db2.gz IHWVVTPLLFTJLN-IBGZPJMESA-N 1 3 361.530 2.964 20 0 FFADHO C[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000617978050 520815595 /nfs/dbraw/zinc/81/55/95/520815595.db2.gz OEHZKQHDDUNZSU-KURKYZTESA-N 1 3 358.530 2.671 20 0 FFADHO CC[C@@H](C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)[NH+](CC)CC ZINC000605424896 520869883 /nfs/dbraw/zinc/86/98/83/520869883.db2.gz GYBXGSDNPUYUBF-FQEVSTJZSA-N 1 3 360.546 2.883 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2F)c1 ZINC000593318376 520906061 /nfs/dbraw/zinc/90/60/61/520906061.db2.gz OJKFMOBPOFMWBF-CYBMUJFWSA-N 1 3 373.428 2.578 20 0 FFADHO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1C ZINC000602016749 521080456 /nfs/dbraw/zinc/08/04/56/521080456.db2.gz YVQNQRRTXGHGDN-AEFFLSMTSA-N 1 3 355.482 2.812 20 0 FFADHO C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000606639263 521117391 /nfs/dbraw/zinc/11/73/91/521117391.db2.gz XCFSMSIBFPYOEW-YLJYHZDGSA-N 1 3 358.530 2.853 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](CCF)C3)CC2)CC1 ZINC000618695968 521190365 /nfs/dbraw/zinc/19/03/65/521190365.db2.gz BCPGCTTXXOGQSH-KRWDZBQOSA-N 1 3 353.526 2.781 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCSc1ccc(Cl)cc1 ZINC000607226947 521299533 /nfs/dbraw/zinc/29/95/33/521299533.db2.gz LKGDPIKEFXXOBK-UHFFFAOYSA-N 1 3 372.966 2.567 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000594105710 521407204 /nfs/dbraw/zinc/40/72/04/521407204.db2.gz KMHAEXQYOFVOCX-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000594105710 521407215 /nfs/dbraw/zinc/40/72/15/521407215.db2.gz KMHAEXQYOFVOCX-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+]1CCC(CCNCc2cc(C(=O)OC(C)(C)C)nn2C)CC1 ZINC000602560227 521411387 /nfs/dbraw/zinc/41/13/87/521411387.db2.gz XJIOWIRIMHQVME-UHFFFAOYSA-N 1 3 350.507 2.587 20 0 FFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCN(Cc3ccccc3)CC1)C2 ZINC000615621813 521479912 /nfs/dbraw/zinc/47/99/12/521479912.db2.gz ZTXZQFFEWFNIME-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCN(Cc3ccccc3)CC1)C2 ZINC000615621813 521479915 /nfs/dbraw/zinc/47/99/15/521479915.db2.gz ZTXZQFFEWFNIME-JOCHJYFZSA-N 1 3 355.526 2.843 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000619360656 521535496 /nfs/dbraw/zinc/53/54/96/521535496.db2.gz LMYGHMSROFQCEB-RBUKOAKNSA-N 1 3 360.546 2.880 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000619360656 521535503 /nfs/dbraw/zinc/53/55/03/521535503.db2.gz LMYGHMSROFQCEB-RBUKOAKNSA-N 1 3 360.546 2.880 20 0 FFADHO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCCC1 ZINC000594291721 521541044 /nfs/dbraw/zinc/54/10/44/521541044.db2.gz PKVRUVRGPJPTCY-RBUKOAKNSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000615853128 521559137 /nfs/dbraw/zinc/55/91/37/521559137.db2.gz GWGVCVWROLSEPU-SFTDATJTSA-N 1 3 374.573 2.969 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940257 521794842 /nfs/dbraw/zinc/79/48/42/521794842.db2.gz MVWXHPXLTJSGJB-SFHVURJKSA-N 1 3 360.502 2.801 20 0 FFADHO CC1CC[NH+](Cc2ccc(CN[C@H]3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000634950694 521830191 /nfs/dbraw/zinc/83/01/91/521830191.db2.gz APDGXTURWDSGHN-FQEVSTJZSA-N 1 3 364.555 2.975 20 0 FFADHO C[NH+](C)CCOc1ccc(CNCCn2ccc(C(F)(F)F)n2)cc1 ZINC000634990460 521855563 /nfs/dbraw/zinc/85/55/63/521855563.db2.gz NKVAWMBVHYNAKQ-UHFFFAOYSA-N 1 3 356.392 2.632 20 0 FFADHO COc1cc2c(cc1OC)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CC2 ZINC000635013357 521868034 /nfs/dbraw/zinc/86/80/34/521868034.db2.gz YBOVMJAONHYYFW-QGZVFWFLSA-N 1 3 354.454 2.608 20 0 FFADHO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623341520 521949334 /nfs/dbraw/zinc/94/93/34/521949334.db2.gz GSBDDHRIZMAQTP-KRWDZBQOSA-N 1 3 367.559 2.680 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623360157 521962471 /nfs/dbraw/zinc/96/24/71/521962471.db2.gz YDWZGYNROHKXBI-NRFANRHFSA-N 1 3 358.574 2.787 20 0 FFADHO CCN1CCN(Cc2ccccc2CN[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623360157 521962480 /nfs/dbraw/zinc/96/24/80/521962480.db2.gz YDWZGYNROHKXBI-NRFANRHFSA-N 1 3 358.574 2.787 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000623636724 522181876 /nfs/dbraw/zinc/18/18/76/522181876.db2.gz GZVMAERBVCRPPL-HBFSDRIKSA-N 1 3 358.530 2.673 20 0 FFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@H+]1CCCC[C@H]1C ZINC000623636724 522181881 /nfs/dbraw/zinc/18/18/81/522181881.db2.gz GZVMAERBVCRPPL-HBFSDRIKSA-N 1 3 358.530 2.673 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000629417214 522202515 /nfs/dbraw/zinc/20/25/15/522202515.db2.gz ZMJAJNMABUJMMB-HXUWFJFHSA-N 1 3 373.541 2.783 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623694069 522220825 /nfs/dbraw/zinc/22/08/25/522220825.db2.gz XGVBCIJBNBNXCA-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623694069 522220836 /nfs/dbraw/zinc/22/08/36/522220836.db2.gz XGVBCIJBNBNXCA-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO [NH3+]CC[C@@H]1CCCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629529765 522298575 /nfs/dbraw/zinc/29/85/75/522298575.db2.gz MJVBVJPZOPTOIE-BLLLJJGKSA-N 1 3 366.303 2.763 20 0 FFADHO CC[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1C(F)(F)F ZINC000629568662 522322602 /nfs/dbraw/zinc/32/26/02/522322602.db2.gz SLMRDSGBLKJCSD-HUUCEWRRSA-N 1 3 360.420 2.909 20 0 FFADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000635526934 522335981 /nfs/dbraw/zinc/33/59/81/522335981.db2.gz WXJOMRUVOBNCHM-LJQANCHMSA-N 1 3 358.530 2.728 20 0 FFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000635527532 522336180 /nfs/dbraw/zinc/33/61/80/522336180.db2.gz IZSDZBZUAYZWNM-JYJNAYRXSA-N 1 3 350.532 2.702 20 0 FFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(-c2ccccc2)n(C)n1 ZINC000623891428 522349121 /nfs/dbraw/zinc/34/91/21/522349121.db2.gz MGIHKDCNEMALSI-IEBWSBKVSA-N 1 3 356.514 2.975 20 0 FFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(-c2ccccc2)n(C)n1 ZINC000623891428 522349132 /nfs/dbraw/zinc/34/91/32/522349132.db2.gz MGIHKDCNEMALSI-IEBWSBKVSA-N 1 3 356.514 2.975 20 0 FFADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCOCCC[NH3+] ZINC000629680486 522390555 /nfs/dbraw/zinc/39/05/55/522390555.db2.gz RXZPJJVFXHARCK-UHFFFAOYSA-N 1 3 350.894 2.657 20 0 FFADHO CN(C)CCc1ccccc1NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000632937301 522410714 /nfs/dbraw/zinc/41/07/14/522410714.db2.gz BWJHBGJRHAAEAZ-LJQANCHMSA-N 1 3 354.498 2.872 20 0 FFADHO CC[C@@H]1CN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)CC[C@H]1[NH3+] ZINC000633010637 522471796 /nfs/dbraw/zinc/47/17/96/522471796.db2.gz CWGWPEHIHKNHFK-RTBURBONSA-N 1 3 358.530 2.810 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000635714863 522472327 /nfs/dbraw/zinc/47/23/27/522472327.db2.gz FHGBFMZQHFLYRD-OALUTQOASA-N 1 3 367.497 2.610 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000635714863 522472334 /nfs/dbraw/zinc/47/23/34/522472334.db2.gz FHGBFMZQHFLYRD-OALUTQOASA-N 1 3 367.497 2.610 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000620825709 522473447 /nfs/dbraw/zinc/47/34/47/522473447.db2.gz RLGZETYJOMOWDQ-TZIWHRDSSA-N 1 3 372.557 2.930 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635736364 522492103 /nfs/dbraw/zinc/49/21/03/522492103.db2.gz LUZFFCGLTDEULK-OALUTQOASA-N 1 3 359.514 2.547 20 0 FFADHO CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635736364 522492109 /nfs/dbraw/zinc/49/21/09/522492109.db2.gz LUZFFCGLTDEULK-OALUTQOASA-N 1 3 359.514 2.547 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(OC)c1 ZINC000626927427 522535500 /nfs/dbraw/zinc/53/55/00/522535500.db2.gz ZQVVXKTXFILDMC-KVSKMBFKSA-N 1 3 362.518 2.518 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N(C)C)cc1 ZINC000627045814 522613424 /nfs/dbraw/zinc/61/34/24/522613424.db2.gz VZEXKGZUAKKJTD-IRXDYDNUSA-N 1 3 362.543 2.595 20 0 FFADHO O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C1CCC1 ZINC000624345232 522620603 /nfs/dbraw/zinc/62/06/03/522620603.db2.gz ZTTTVWOEZGLMOU-AYWYSENESA-N 1 3 353.510 2.925 20 0 FFADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000621652888 522997441 /nfs/dbraw/zinc/99/74/41/522997441.db2.gz JASWJWLSABCXJV-NRFANRHFSA-N 1 3 357.542 2.933 20 0 FFADHO CN(C)CCn1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cn1 ZINC000630797851 523140522 /nfs/dbraw/zinc/14/05/22/523140522.db2.gz HESDMHVTIUPILL-UHFFFAOYSA-N 1 3 369.513 2.725 20 0 FFADHO CN1CCC(n2cc(NC(=O)NCC[N@H+](C)C3CCCCC3)cn2)CC1 ZINC000636684962 523141655 /nfs/dbraw/zinc/14/16/55/523141655.db2.gz NCEBWDINDIUHIC-UHFFFAOYSA-N 1 3 362.522 2.536 20 0 FFADHO CN1CCC(n2cc(NC(=O)NCC[N@@H+](C)C3CCCCC3)cn2)CC1 ZINC000636684962 523141663 /nfs/dbraw/zinc/14/16/63/523141663.db2.gz NCEBWDINDIUHIC-UHFFFAOYSA-N 1 3 362.522 2.536 20 0 FFADHO CN(CCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634142920 523208414 /nfs/dbraw/zinc/20/84/14/523208414.db2.gz LYEGBQNXPNGMPK-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CN(CCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634142920 523208426 /nfs/dbraw/zinc/20/84/26/523208426.db2.gz LYEGBQNXPNGMPK-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000628544015 523597631 /nfs/dbraw/zinc/59/76/31/523597631.db2.gz ZTMGLIHLILYWPY-RBUKOAKNSA-N 1 3 365.587 2.727 20 0 FFADHO CC(C)N(c1ccc(CN(C)C2CC2)cn1)c1ncnc2c1CC[NH2+]CC2 ZINC001164659836 719344966 /nfs/dbraw/zinc/34/49/66/719344966.db2.gz FULJPCBHILQISJ-UHFFFAOYSA-N 1 3 366.513 2.701 20 0 FFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N(C)C)n3)CC[C@@H]21 ZINC001164835718 720514002 /nfs/dbraw/zinc/51/40/02/720514002.db2.gz KIJRZFLRBLAKDO-QYZOEREBSA-N 1 3 368.529 2.722 20 0 FFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N(C)C)n3)CC[C@@H]21 ZINC001164835718 720514004 /nfs/dbraw/zinc/51/40/04/720514004.db2.gz KIJRZFLRBLAKDO-QYZOEREBSA-N 1 3 368.529 2.722 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N)n1)CC2 ZINC001164837561 720674707 /nfs/dbraw/zinc/67/47/07/720674707.db2.gz CZIFRUJGNBOXJK-GOSISDBHSA-N 1 3 352.482 2.924 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N)n1)CC2 ZINC001164837561 720674717 /nfs/dbraw/zinc/67/47/17/720674717.db2.gz CZIFRUJGNBOXJK-GOSISDBHSA-N 1 3 352.482 2.924 20 0 FFADHO Cc1[nH+]c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cc2[nH]ccc21 ZINC001164769537 721183136 /nfs/dbraw/zinc/18/31/36/721183136.db2.gz MSNWVDHIURACJY-IAGOWNOFSA-N 1 3 350.470 2.563 20 0 FFADHO c1cc2c[nH+]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc2[nH]1 ZINC001164976423 722103910 /nfs/dbraw/zinc/10/39/10/722103910.db2.gz CXXHOQBBRBDYFM-UYAOXDASSA-N 1 3 363.465 2.685 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000743331016 735289695 /nfs/dbraw/zinc/28/96/95/735289695.db2.gz ZPRWJLHNAAMDDF-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000271638801 729697568 /nfs/dbraw/zinc/69/75/68/729697568.db2.gz ZLQGLXGXGBKQQN-INIZCTEOSA-N 1 3 353.304 2.873 20 0 FFADHO CN1CC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000638802454 730045524 /nfs/dbraw/zinc/04/55/24/730045524.db2.gz OYCSFVDDVQFBTI-RBUKOAKNSA-N 1 3 365.949 2.910 20 0 FFADHO CN1CC[C@H](NC2CC[NH+](CC(C)(C)O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000638802454 730045527 /nfs/dbraw/zinc/04/55/27/730045527.db2.gz OYCSFVDDVQFBTI-RBUKOAKNSA-N 1 3 365.949 2.910 20 0 FFADHO COc1ccc([C@H](OC)[C@H](C)NC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638855066 730048946 /nfs/dbraw/zinc/04/89/46/730048946.db2.gz TWDCGGNHESJOKO-HNAYVOBHSA-N 1 3 350.503 2.596 20 0 FFADHO CC[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(OC)c(OC)c1 ZINC000639169275 730065542 /nfs/dbraw/zinc/06/55/42/730065542.db2.gz DIGJFCXCIUKGKA-QGZVFWFLSA-N 1 3 350.503 2.980 20 0 FFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000639358664 730077123 /nfs/dbraw/zinc/07/71/23/730077123.db2.gz ORBFPNHMWKUEEK-MSOLQXFVSA-N 1 3 352.906 2.995 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646254307 730646321 /nfs/dbraw/zinc/64/63/21/730646321.db2.gz JDNAYTGWJIVOCA-AWEZNQCLSA-N 1 3 357.420 2.595 20 0 FFADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)CC[C@H]1[NH3+] ZINC000647938338 730776159 /nfs/dbraw/zinc/77/61/59/730776159.db2.gz JZDRQBURTJRCEA-SMDDNHRTSA-N 1 3 372.282 2.976 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000650705358 731021980 /nfs/dbraw/zinc/02/19/80/731021980.db2.gz FDTOETMUFJUFHX-ZMSDIMECSA-N 1 3 366.889 2.830 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)CC[NH+]1CCCCC1)c1ccco1 ZINC000651092338 731054892 /nfs/dbraw/zinc/05/48/92/731054892.db2.gz HXTYUQAXJUAEJQ-SJORKVTESA-N 1 3 350.507 2.836 20 0 FFADHO O=S(=O)(CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925495583 738510870 /nfs/dbraw/zinc/51/08/70/738510870.db2.gz ZEYBMFCQFQQCQC-MOPGFXCFSA-N 1 3 350.528 2.608 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccsc1 ZINC000868052077 731254977 /nfs/dbraw/zinc/25/49/77/731254977.db2.gz NLBPUYKEJVBTCB-CGTJXYLNSA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1ccsc1 ZINC000868052077 731254980 /nfs/dbraw/zinc/25/49/80/731254980.db2.gz NLBPUYKEJVBTCB-CGTJXYLNSA-N 1 3 364.559 2.867 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CCCS3)CC2)CC1 ZINC000871038278 731588377 /nfs/dbraw/zinc/58/83/77/731588377.db2.gz YXBDHQQJULCDOX-SFHVURJKSA-N 1 3 353.576 2.585 20 0 FFADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OC(F)F ZINC000925853409 738537419 /nfs/dbraw/zinc/53/74/19/738537419.db2.gz ISJPPPZKVAGAFI-OLZOCXBDSA-N 1 3 354.397 2.624 20 0 FFADHO CC[NH2+]Cc1ccccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000659303254 731961066 /nfs/dbraw/zinc/96/10/66/731961066.db2.gz NFJAPJSBBOFPQH-KGLIPLIRSA-N 1 3 360.376 2.719 20 0 FFADHO CC1CCN([C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c2cccs2)CC1 ZINC000659426924 731974565 /nfs/dbraw/zinc/97/45/65/731974565.db2.gz HIROHUAQCWACHJ-OAHLLOKOSA-N 1 3 352.548 2.900 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000659426958 731974710 /nfs/dbraw/zinc/97/47/10/731974710.db2.gz IILQPHVKPZPAMZ-OAGGEKHMSA-N 1 3 368.522 2.602 20 0 FFADHO FC(F)(F)CCCCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337603 732300450 /nfs/dbraw/zinc/30/04/50/732300450.db2.gz LWJUQWVWRAEDNL-CQSZACIVSA-N 1 3 359.440 2.731 20 0 FFADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@H]3CC3(Cl)Cl)c2)C1 ZINC000877026552 732314283 /nfs/dbraw/zinc/31/42/83/732314283.db2.gz FBURRQGZSWSQSX-HZPDHXFCSA-N 1 3 370.324 2.667 20 0 FFADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@H]3CC3(Cl)Cl)c2)C1 ZINC000877026552 732314288 /nfs/dbraw/zinc/31/42/88/732314288.db2.gz FBURRQGZSWSQSX-HZPDHXFCSA-N 1 3 370.324 2.667 20 0 FFADHO CSc1cc(C)ccc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664394034 732578867 /nfs/dbraw/zinc/57/88/67/732578867.db2.gz JJBWQZNYJZSEOH-INIZCTEOSA-N 1 3 366.575 2.788 20 0 FFADHO CSc1cc(C)ccc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664394034 732578872 /nfs/dbraw/zinc/57/88/72/732578872.db2.gz JJBWQZNYJZSEOH-INIZCTEOSA-N 1 3 366.575 2.788 20 0 FFADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000665176364 732675784 /nfs/dbraw/zinc/67/57/84/732675784.db2.gz ZVGBYZWTQYIKJO-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000665176364 732675786 /nfs/dbraw/zinc/67/57/86/732675786.db2.gz ZVGBYZWTQYIKJO-ZDUSSCGKSA-N 1 3 356.898 2.742 20 0 FFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCN2C(C)(C)C)o1 ZINC000665366880 732699602 /nfs/dbraw/zinc/69/96/02/732699602.db2.gz KCXSCXHGBWKMFX-MRXNPFEDSA-N 1 3 350.507 2.534 20 0 FFADHO C[NH+](C)Cc1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000666284240 732826359 /nfs/dbraw/zinc/82/63/59/732826359.db2.gz SBYKTQGOSMRZJM-CABCVRRESA-N 1 3 360.376 2.671 20 0 FFADHO CC[C@@H](C)n1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000666569350 732869055 /nfs/dbraw/zinc/86/90/55/732869055.db2.gz BRLRYSFSXPVLRR-LSDHHAIUSA-N 1 3 352.527 2.556 20 0 FFADHO CC[C@@H](C)n1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000666569350 732869058 /nfs/dbraw/zinc/86/90/58/732869058.db2.gz BRLRYSFSXPVLRR-LSDHHAIUSA-N 1 3 352.527 2.556 20 0 FFADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000666663921 732879636 /nfs/dbraw/zinc/87/96/36/732879636.db2.gz ULDCUGRTVRZEKM-QGZVFWFLSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000666663921 732879642 /nfs/dbraw/zinc/87/96/42/732879642.db2.gz ULDCUGRTVRZEKM-QGZVFWFLSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000666663920 732879949 /nfs/dbraw/zinc/87/99/49/732879949.db2.gz ULDCUGRTVRZEKM-KRWDZBQOSA-N 1 3 350.551 2.909 20 0 FFADHO CN(C)CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000666663920 732879956 /nfs/dbraw/zinc/87/99/56/732879956.db2.gz ULDCUGRTVRZEKM-KRWDZBQOSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000666775492 732895276 /nfs/dbraw/zinc/89/52/76/732895276.db2.gz PAEPTLZXYYZSSY-STQMWFEESA-N 1 3 354.461 2.535 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000666775492 732895279 /nfs/dbraw/zinc/89/52/79/732895279.db2.gz PAEPTLZXYYZSSY-STQMWFEESA-N 1 3 354.461 2.535 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000666921866 732917321 /nfs/dbraw/zinc/91/73/21/732917321.db2.gz FXPZKJXEHAQXMK-DLBZAZTESA-N 1 3 352.910 2.726 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000666921866 732917323 /nfs/dbraw/zinc/91/73/23/732917323.db2.gz FXPZKJXEHAQXMK-DLBZAZTESA-N 1 3 352.910 2.726 20 0 FFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000667670029 733025767 /nfs/dbraw/zinc/02/57/67/733025767.db2.gz KOIBWHCQZRRPEE-CYBMUJFWSA-N 1 3 366.893 2.626 20 0 FFADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000668660892 733150654 /nfs/dbraw/zinc/15/06/54/733150654.db2.gz FNULMHCZAMPHPZ-DOTOQJQBSA-N 1 3 364.559 2.962 20 0 FFADHO CCc1ccc([C@H](CNC(=S)NC[C@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000884342785 733514196 /nfs/dbraw/zinc/51/41/96/733514196.db2.gz KMFJBUZAXXKUMZ-MOPGFXCFSA-N 1 3 362.587 2.800 20 0 FFADHO CCc1ccc([C@H](CNC(=S)NC[C@H]2CCC[N@@H+]2CC)N(C)C)cc1 ZINC000884342785 733514201 /nfs/dbraw/zinc/51/42/01/733514201.db2.gz KMFJBUZAXXKUMZ-MOPGFXCFSA-N 1 3 362.587 2.800 20 0 FFADHO CC(C)(C)[C@@H](O)CN1CCC[C@@]2(CCC[N@H+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000685593232 734325079 /nfs/dbraw/zinc/32/50/79/734325079.db2.gz VTONBYQFEXIGHE-LVCYWYKZSA-N 1 3 354.579 2.978 20 0 FFADHO CC(C)(C)[C@@H](O)CN1CCC[C@@]2(CCC[N@@H+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000685593232 734325081 /nfs/dbraw/zinc/32/50/81/734325081.db2.gz VTONBYQFEXIGHE-LVCYWYKZSA-N 1 3 354.579 2.978 20 0 FFADHO CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@]2(CCCN(C[C@@H](O)C(C)(C)C)C2)C1 ZINC000685593232 734325083 /nfs/dbraw/zinc/32/50/83/734325083.db2.gz VTONBYQFEXIGHE-LVCYWYKZSA-N 1 3 354.579 2.978 20 0 FFADHO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCN(C[C@@H](O)C(C)(C)C)C2)C1 ZINC000685593232 734325084 /nfs/dbraw/zinc/32/50/84/734325084.db2.gz VTONBYQFEXIGHE-LVCYWYKZSA-N 1 3 354.579 2.978 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)NCC1(N2CCSCC2)CCCC1 ZINC000729316061 734571215 /nfs/dbraw/zinc/57/12/15/734571215.db2.gz HFSXKMAOJKAHMC-UHFFFAOYSA-N 1 3 353.576 2.730 20 0 FFADHO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496844 736102134 /nfs/dbraw/zinc/10/21/34/736102134.db2.gz GYFHYDDPGCHIDT-QLFBSQMISA-N 1 3 360.527 2.560 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903766588 736164416 /nfs/dbraw/zinc/16/44/16/736164416.db2.gz ARQIJFCSLZMLRP-RBGFHDKUSA-N 1 3 350.425 2.847 20 0 FFADHO FC(F)(F)[C@@H]1CCC[C@H](CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)O1 ZINC000903775019 736165456 /nfs/dbraw/zinc/16/54/56/736165456.db2.gz FHBOCCAKRDFMDR-OAGGEKHMSA-N 1 3 350.425 2.577 20 0 FFADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2 ZINC000903843997 736174230 /nfs/dbraw/zinc/17/42/30/736174230.db2.gz ZCIRXMKIVWAHCY-RUAUBTSSSA-N 1 3 353.388 2.622 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922385769 738135044 /nfs/dbraw/zinc/13/50/44/738135044.db2.gz AJMVVZWTTNJWDT-ZAWLATJESA-N 1 3 351.560 2.911 20 0 FFADHO CC(C)Cc1ncc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922385769 738135047 /nfs/dbraw/zinc/13/50/47/738135047.db2.gz AJMVVZWTTNJWDT-ZAWLATJESA-N 1 3 351.560 2.911 20 0 FFADHO FC(F)(F)c1csc([C@@H]2CCCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000923370371 738277055 /nfs/dbraw/zinc/27/70/55/738277055.db2.gz GBONAHBRGXDSQG-NEPJUHHUSA-N 1 3 361.433 2.720 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000931441687 739266932 /nfs/dbraw/zinc/26/69/32/739266932.db2.gz NEXMTJQKLUOTKY-WWGRRREGSA-N 1 3 359.297 2.617 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000931441687 739266935 /nfs/dbraw/zinc/26/69/35/739266935.db2.gz NEXMTJQKLUOTKY-WWGRRREGSA-N 1 3 359.297 2.617 20 0 FFADHO CN(C)CC[NH+]1CCC(NCc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000796264291 740123298 /nfs/dbraw/zinc/12/32/98/740123298.db2.gz MWVGXGGQQQYMFJ-UHFFFAOYSA-N 1 3 370.328 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CCc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000981194420 741140811 /nfs/dbraw/zinc/14/08/11/741140811.db2.gz POPIHWVICUJISQ-VQIMIIECSA-N 1 3 363.933 2.757 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CCc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000981194420 741140813 /nfs/dbraw/zinc/14/08/13/741140813.db2.gz POPIHWVICUJISQ-VQIMIIECSA-N 1 3 363.933 2.757 20 0 FFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)o1 ZINC000810530777 741425268 /nfs/dbraw/zinc/42/52/68/741425268.db2.gz FPHRWVYFMSJCHF-IBGZPJMESA-N 1 3 353.482 2.691 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cc(F)ccc3Cl)C2)CC[N@@H+]1C ZINC000998797439 742045911 /nfs/dbraw/zinc/04/59/11/742045911.db2.gz UZIFQBSKLLZKMB-BOSFTKNMSA-N 1 3 367.896 2.898 20 0 FFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cc(F)ccc3Cl)C2)CC[N@H+]1C ZINC000998797439 742045916 /nfs/dbraw/zinc/04/59/16/742045916.db2.gz UZIFQBSKLLZKMB-BOSFTKNMSA-N 1 3 367.896 2.898 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3scnc3C)C2)CC[N@@H+]1C ZINC001023371512 742706166 /nfs/dbraw/zinc/70/61/66/742706166.db2.gz ADKSQNFKKLUHKK-YESZJQIVSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3scnc3C)C2)CC[N@H+]1C ZINC001023371512 742706170 /nfs/dbraw/zinc/70/61/70/742706170.db2.gz ADKSQNFKKLUHKK-YESZJQIVSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2c(C)nsc2C)CC[N@@H+]1C ZINC001034941488 742937562 /nfs/dbraw/zinc/93/75/62/742937562.db2.gz RMEDTPVSMBLHDJ-SOLBZPMBSA-N 1 3 364.559 2.571 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2c(C)nsc2C)CC[N@H+]1C ZINC001034941488 742937567 /nfs/dbraw/zinc/93/75/67/742937567.db2.gz RMEDTPVSMBLHDJ-SOLBZPMBSA-N 1 3 364.559 2.571 20 0 FFADHO Fc1c(CNCCCN2CCN(c3cc[nH+]cc3)CC2)ccnc1Cl ZINC000823742542 742972756 /nfs/dbraw/zinc/97/27/56/742972756.db2.gz REJKUKLPHFWVMU-UHFFFAOYSA-N 1 3 363.868 2.571 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)NCc2ccccc2C[NH+](C)C)cc(Cl)n1 ZINC000825985452 743352463 /nfs/dbraw/zinc/35/24/63/743352463.db2.gz LZKLOEHFTZFEGS-KRWDZBQOSA-N 1 3 360.889 2.811 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000827414737 743571361 /nfs/dbraw/zinc/57/13/61/743571361.db2.gz GPCGGWBVDWYNHG-HOTGVXAUSA-N 1 3 350.894 2.520 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cnc(C)s3)CC2)CC[N@@H+]1C ZINC001052394205 743586629 /nfs/dbraw/zinc/58/66/29/743586629.db2.gz BCKYOWQSRYIZDL-RYQLBKOJSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cnc(C)s3)CC2)CC[N@H+]1C ZINC001052394205 743586630 /nfs/dbraw/zinc/58/66/30/743586630.db2.gz BCKYOWQSRYIZDL-RYQLBKOJSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc(Cl)n1 ZINC000830943275 745454860 /nfs/dbraw/zinc/45/48/60/745454860.db2.gz CACVNUSWHPWOKK-RDJZCZTQSA-N 1 3 364.921 2.624 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc(Cl)n1 ZINC000830943275 745454862 /nfs/dbraw/zinc/45/48/62/745454862.db2.gz CACVNUSWHPWOKK-RDJZCZTQSA-N 1 3 364.921 2.624 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC2CC[NH+](C3CCCC3)CC2)cc(Cl)n1 ZINC000831041472 745471513 /nfs/dbraw/zinc/47/15/13/745471513.db2.gz CBABICIWISBMGG-QGZVFWFLSA-N 1 3 364.921 2.957 20 0 FFADHO [NH3+]CCc1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000841035458 747259050 /nfs/dbraw/zinc/25/90/50/747259050.db2.gz JKCXPEDZPIPJPB-UHFFFAOYSA-N 1 3 363.255 2.969 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC000844187369 747985130 /nfs/dbraw/zinc/98/51/30/747985130.db2.gz GRBCDJMTNWKIQX-HOTGVXAUSA-N 1 3 352.910 2.766 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC000844187369 747985135 /nfs/dbraw/zinc/98/51/35/747985135.db2.gz GRBCDJMTNWKIQX-HOTGVXAUSA-N 1 3 352.910 2.766 20 0 FFADHO CCN1C[C@H](C[N@H+](C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)OC1=O ZINC000846895520 748569484 /nfs/dbraw/zinc/56/94/84/748569484.db2.gz OUNAVYOIZPRMJJ-HOTGVXAUSA-N 1 3 351.516 2.651 20 0 FFADHO CCN1C[C@H](C[N@@H+](C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)OC1=O ZINC000846895520 748569486 /nfs/dbraw/zinc/56/94/86/748569486.db2.gz OUNAVYOIZPRMJJ-HOTGVXAUSA-N 1 3 351.516 2.651 20 0 FFADHO Cc1nc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000849055595 749042688 /nfs/dbraw/zinc/04/26/88/749042688.db2.gz NVLYPLVRVJUSOC-UHFFFAOYSA-N 1 3 357.527 2.773 20 0 FFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000849113674 749055583 /nfs/dbraw/zinc/05/55/83/749055583.db2.gz ZLNVTCUXAHRYOE-WMZOPIPTSA-N 1 3 363.575 2.609 20 0 FFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)C1 ZINC000850491806 749373530 /nfs/dbraw/zinc/37/35/30/749373530.db2.gz QVRUJYBFIVXHAA-NHBFPYQTSA-N 1 3 354.482 2.930 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(Cl)n1 ZINC000852854923 749965522 /nfs/dbraw/zinc/96/55/22/749965522.db2.gz BFFUUSNYXYQKLI-RDJZCZTQSA-N 1 3 364.921 2.957 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc(Cl)n1 ZINC000852854923 749965528 /nfs/dbraw/zinc/96/55/28/749965528.db2.gz BFFUUSNYXYQKLI-RDJZCZTQSA-N 1 3 364.921 2.957 20 0 FFADHO CO[C@H](CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1)C1CCCC1 ZINC000659911892 970844646 /nfs/dbraw/zinc/84/46/46/970844646.db2.gz JRGYCNWMRJQQTF-JOCHJYFZSA-N 1 3 359.558 2.941 20 0 FFADHO CO[C@H](CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)C1CCCC1 ZINC000659911892 970844660 /nfs/dbraw/zinc/84/46/60/970844660.db2.gz JRGYCNWMRJQQTF-JOCHJYFZSA-N 1 3 359.558 2.941 20 0 FFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000895786874 970949742 /nfs/dbraw/zinc/94/97/42/970949742.db2.gz FIYDOXHYJVHNBL-HXUWFJFHSA-N 1 3 359.514 2.725 20 0 FFADHO CC(C)(C(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1)[NH+]1CCCCC1 ZINC001087966455 971372503 /nfs/dbraw/zinc/37/25/03/971372503.db2.gz DHRJRUIFUFIRJT-UXHICEINSA-N 1 3 370.541 2.626 20 0 FFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000896519989 971533832 /nfs/dbraw/zinc/53/38/32/971533832.db2.gz BRUOKQMYXGKFRS-PXNSSMCTSA-N 1 3 359.514 2.679 20 0 FFADHO CN(C)CC[C@H]([NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cccnc1 ZINC000896721470 971675254 /nfs/dbraw/zinc/67/52/54/971675254.db2.gz MTYABZYAGMAALR-WFXMLNOXSA-N 1 3 374.529 2.921 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cncc(C)c3)C[C@H]2C1 ZINC001087986494 971670817 /nfs/dbraw/zinc/67/08/17/971670817.db2.gz NXJMMJDYHLZTCG-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3cncc(C)c3)C[C@H]2C1 ZINC001087986494 971670822 /nfs/dbraw/zinc/67/08/22/971670822.db2.gz NXJMMJDYHLZTCG-HKBOAZHASA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cncc(C)c3)C[C@H]2C1 ZINC001087986495 971670858 /nfs/dbraw/zinc/67/08/58/971670858.db2.gz NXJMMJDYHLZTCG-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cncc(C)c3)C[C@H]2C1 ZINC001087986495 971670862 /nfs/dbraw/zinc/67/08/62/971670862.db2.gz NXJMMJDYHLZTCG-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO CCOC(=O)N1CCC(C)(C[NH2+][C@H](CCN(C)C)c2cccnc2)CC1 ZINC000896717971 971680368 /nfs/dbraw/zinc/68/03/68/971680368.db2.gz ZAUBPSYOBTXHSP-GOSISDBHSA-N 1 3 362.518 2.923 20 0 FFADHO Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993212 971737474 /nfs/dbraw/zinc/73/74/74/971737474.db2.gz FFJIJUAUZPVXHH-QHAWAJNXSA-N 1 3 355.526 2.616 20 0 FFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993212 971737478 /nfs/dbraw/zinc/73/74/78/971737478.db2.gz FFJIJUAUZPVXHH-QHAWAJNXSA-N 1 3 355.526 2.616 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000660450348 971939423 /nfs/dbraw/zinc/93/94/23/971939423.db2.gz ROILOJRYFZKDRD-QRQLOZEOSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000660450348 971939427 /nfs/dbraw/zinc/93/94/27/971939427.db2.gz ROILOJRYFZKDRD-QRQLOZEOSA-N 1 3 358.530 2.994 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4)[C@H]3C3CC3)CC2)CC1 ZINC000655092240 959419247 /nfs/dbraw/zinc/41/92/47/959419247.db2.gz HZFSRZRAOKQOJO-HXUWFJFHSA-N 1 3 359.558 2.974 20 0 FFADHO CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208679637 959564854 /nfs/dbraw/zinc/56/48/54/959564854.db2.gz WHPMQIWHKPIFPO-FGZHOGPDSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001208679637 959564860 /nfs/dbraw/zinc/56/48/60/959564860.db2.gz WHPMQIWHKPIFPO-FGZHOGPDSA-N 1 3 355.526 2.699 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(Cc2cccc3cccnc32)C1 ZINC000969703715 959782108 /nfs/dbraw/zinc/78/21/08/959782108.db2.gz IPFXHZBOFQHHHA-RZQQEMMASA-N 1 3 366.509 2.512 20 0 FFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(Cc2cccc3cccnc32)C1 ZINC000969703715 959782120 /nfs/dbraw/zinc/78/21/20/959782120.db2.gz IPFXHZBOFQHHHA-RZQQEMMASA-N 1 3 366.509 2.512 20 0 FFADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c2ccccc2)CC1 ZINC000655445620 959965524 /nfs/dbraw/zinc/96/55/24/959965524.db2.gz FAHBDNVHTISFQU-SJBKTWHCSA-N 1 3 355.526 2.966 20 0 FFADHO OCC[C@@H]1CCCN(CC(C[N@@H+]2CCC[C@@H](CCO)C2)c2ccccc2)C1 ZINC000639476213 972521799 /nfs/dbraw/zinc/52/17/99/972521799.db2.gz BYCCUXOESNJILR-SFTDATJTSA-N 1 3 374.569 2.959 20 0 FFADHO OCC[C@@H]1CCCN(CC(C[N@H+]2CCC[C@@H](CCO)C2)c2ccccc2)C1 ZINC000639476213 972521810 /nfs/dbraw/zinc/52/18/10/972521810.db2.gz BYCCUXOESNJILR-SFTDATJTSA-N 1 3 374.569 2.959 20 0 FFADHO c1ccc(CN2CCC[C@@H](C[NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655703815 961116666 /nfs/dbraw/zinc/11/66/66/961116666.db2.gz VYOVATYSEDBHPL-RBBKRZOGSA-N 1 3 357.542 2.742 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001095425153 1013332812 /nfs/dbraw/zinc/33/28/12/1013332812.db2.gz DOKGPYBJLKUDDR-MLNNCEHLSA-N 1 3 367.537 2.812 20 0 FFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001104291721 962338594 /nfs/dbraw/zinc/33/85/94/962338594.db2.gz SCKXTAHNMBQXIO-UIFIKXQLSA-N 1 3 357.542 2.909 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1ccccc1F ZINC001104291615 962341161 /nfs/dbraw/zinc/34/11/61/962341161.db2.gz QGGZLXKWYBCNLV-ZTNFWEORSA-N 1 3 361.505 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001104294768 962389008 /nfs/dbraw/zinc/38/90/08/962389008.db2.gz ZWZRKSRMFYDRMM-SJLPKXTDSA-N 1 3 361.505 2.884 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000649309566 1013340537 /nfs/dbraw/zinc/34/05/37/1013340537.db2.gz XAHLJIVKLVSSPS-VVLHAWIVSA-N 1 3 369.431 2.670 20 0 FFADHO CCc1ccccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095437583 1013373663 /nfs/dbraw/zinc/37/36/63/1013373663.db2.gz VTYFHARNRVKJJA-XCTOGPPJSA-N 1 3 369.553 2.853 20 0 FFADHO CCc1ccccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001095437583 1013373672 /nfs/dbraw/zinc/37/36/72/1013373672.db2.gz VTYFHARNRVKJJA-XCTOGPPJSA-N 1 3 369.553 2.853 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)CC1 ZINC001175300555 1013432248 /nfs/dbraw/zinc/43/22/48/1013432248.db2.gz FZMZSKZCXYHDMX-NRSPTQNISA-N 1 3 355.526 2.711 20 0 FFADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873222771 1013434470 /nfs/dbraw/zinc/43/44/70/1013434470.db2.gz CCQNVAPAUURYTO-FQEVSTJZSA-N 1 3 364.534 2.648 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2F)C1)N(C)C ZINC001104347232 963698271 /nfs/dbraw/zinc/69/82/71/963698271.db2.gz TVJAUKANBQJTCU-QGPMSJSTSA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2F)C1)N(C)C ZINC001104348873 963741269 /nfs/dbraw/zinc/74/12/69/963741269.db2.gz YWUZSQQJCQMPEB-YVWKXTFCSA-N 1 3 363.521 2.783 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CSCCc4ccccc43)c2)nn1 ZINC000873247626 1013446981 /nfs/dbraw/zinc/44/69/81/1013446981.db2.gz QSZGZVFHLGWLAV-FQEVSTJZSA-N 1 3 365.506 2.846 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000389868312 963794669 /nfs/dbraw/zinc/79/46/69/963794669.db2.gz IANYKEIRXNTCMT-XLIONFOSSA-N 1 3 366.509 2.663 20 0 FFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(OC(F)F)cc2F)CC[NH2+]CC1 ZINC000873250521 1013448771 /nfs/dbraw/zinc/44/87/71/1013448771.db2.gz GHILUPOCDOSIBO-GFCCVEGCSA-N 1 3 374.403 2.838 20 0 FFADHO CN(C(=O)c1ccc(NCC2CC[NH+](C)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000894286835 964209205 /nfs/dbraw/zinc/20/92/05/964209205.db2.gz QEFYJNZWOZRWGV-HXUWFJFHSA-N 1 3 358.530 2.607 20 0 FFADHO CN1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@]2(C)C1 ZINC000933741151 965134967 /nfs/dbraw/zinc/13/49/67/965134967.db2.gz SATBMBFQUSMPKM-KYJSFNMBSA-N 1 3 367.415 2.694 20 0 FFADHO CN1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@]2(C)C1 ZINC000933741151 965134974 /nfs/dbraw/zinc/13/49/74/965134974.db2.gz SATBMBFQUSMPKM-KYJSFNMBSA-N 1 3 367.415 2.694 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000664789656 965265615 /nfs/dbraw/zinc/26/56/15/965265615.db2.gz GDBCLFUSJCXGRD-KXBFYZLASA-N 1 3 364.509 2.774 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000664789656 965265626 /nfs/dbraw/zinc/26/56/26/965265626.db2.gz GDBCLFUSJCXGRD-KXBFYZLASA-N 1 3 364.509 2.774 20 0 FFADHO O=C(c1ccncc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167973393 965460683 /nfs/dbraw/zinc/46/06/83/965460683.db2.gz JGUQSEHGZVLMCQ-SEJPIABJSA-N 1 3 368.525 2.681 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)CC2CN(C)C2)[NH+](C)C)cc1 ZINC000664905418 965969943 /nfs/dbraw/zinc/96/99/43/965969943.db2.gz GNBHMRDZHGNZHX-FQEVSTJZSA-N 1 3 360.546 2.691 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000657596095 966941595 /nfs/dbraw/zinc/94/15/95/966941595.db2.gz URBSVVIFEIYLKC-LJQANCHMSA-N 1 3 366.465 2.835 20 0 FFADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000657596095 966941606 /nfs/dbraw/zinc/94/16/06/966941606.db2.gz URBSVVIFEIYLKC-LJQANCHMSA-N 1 3 366.465 2.835 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001211557623 966998930 /nfs/dbraw/zinc/99/89/30/966998930.db2.gz YLRWLULVPUZOEX-BBWFWOEESA-N 1 3 369.431 2.617 20 0 FFADHO Cc1noc2ncc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc12 ZINC000894999728 967156703 /nfs/dbraw/zinc/15/67/03/967156703.db2.gz PCDPUTXROWPVHW-UHFFFAOYSA-N 1 3 366.465 2.648 20 0 FFADHO COc1cc2ccc([C@@H](C)[NH2+]CC3(O)CCN(C)CC3)cc2cc1OC ZINC000657891453 968228479 /nfs/dbraw/zinc/22/84/79/968228479.db2.gz ZECAAQJRAXTVCD-OAHLLOKOSA-N 1 3 358.482 2.964 20 0 FFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000892433135 968666117 /nfs/dbraw/zinc/66/61/17/968666117.db2.gz YXDVHBAMGTWMEF-WOJBJXKFSA-N 1 3 362.562 2.909 20 0 FFADHO CC[NH+]1CCC(CNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000066009717 969216641 /nfs/dbraw/zinc/21/66/41/969216641.db2.gz NWWJVLPAOMNFLC-UHFFFAOYSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000310715729 969556358 /nfs/dbraw/zinc/55/63/58/969556358.db2.gz KXRLJMUIEQXCKP-KRWDZBQOSA-N 1 3 350.470 2.835 20 0 FFADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000310715729 969556363 /nfs/dbraw/zinc/55/63/63/969556363.db2.gz KXRLJMUIEQXCKP-KRWDZBQOSA-N 1 3 350.470 2.835 20 0 FFADHO C[NH2+]Cc1ccccc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659019767 969633980 /nfs/dbraw/zinc/63/39/80/969633980.db2.gz PWBRNLUWSTWOHH-UHFFFAOYSA-N 1 3 367.497 2.835 20 0 FFADHO C[N@H+](CCC[N-]C(=O)C(F)(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181211678 969745562 /nfs/dbraw/zinc/74/55/62/969745562.db2.gz MYNCMPNTCWGWKH-UHFFFAOYSA-N 1 3 372.435 2.689 20 0 FFADHO C[N@@H+](CCC[N-]C(=O)C(F)(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181211678 969745566 /nfs/dbraw/zinc/74/55/66/969745566.db2.gz MYNCMPNTCWGWKH-UHFFFAOYSA-N 1 3 372.435 2.689 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000659426109 969916310 /nfs/dbraw/zinc/91/63/10/969916310.db2.gz VGPFQGGNOPZONX-PMACEKPBSA-N 1 3 358.530 2.711 20 0 FFADHO CN(C)[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000659426111 969916547 /nfs/dbraw/zinc/91/65/47/969916547.db2.gz VGPFQGGNOPZONX-VQTJNVASSA-N 1 3 358.530 2.711 20 0 FFADHO CN(CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000659442777 969932537 /nfs/dbraw/zinc/93/25/37/969932537.db2.gz UIELTFZXBWRNGF-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO Cc1ccncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104639468 970007836 /nfs/dbraw/zinc/00/78/36/970007836.db2.gz PUTWQOPNVBMATK-QWFCFKBJSA-N 1 3 360.546 2.550 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2ocnc2C)C1)[NH+](CC)CC ZINC001104666997 970068327 /nfs/dbraw/zinc/06/83/27/970068327.db2.gz XZWXYZDWOXYGDM-KBAYOESNSA-N 1 3 364.534 2.678 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)CN1 ZINC000659611300 970076490 /nfs/dbraw/zinc/07/64/90/970076490.db2.gz NJRRPSPGHPAHJH-WSTZPKSXSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)CN1 ZINC000659611300 970076499 /nfs/dbraw/zinc/07/64/99/970076499.db2.gz NJRRPSPGHPAHJH-WSTZPKSXSA-N 1 3 370.541 2.681 20 0 FFADHO Cc1csc(CNCC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001104676536 970083984 /nfs/dbraw/zinc/08/39/84/970083984.db2.gz OIVXNHRTKNXVLD-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1csc(CNCC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001104676536 970083987 /nfs/dbraw/zinc/08/39/87/970083987.db2.gz OIVXNHRTKNXVLD-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO CCCCOCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104683588 970100089 /nfs/dbraw/zinc/10/00/89/970100089.db2.gz MUTCSCDYODBBDV-RTBURBONSA-N 1 3 369.594 2.855 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)c(F)c2)C1)N(C)C ZINC001104690239 970110567 /nfs/dbraw/zinc/11/05/67/970110567.db2.gz ARHWLDZDFUTIRJ-OGWOLHLISA-N 1 3 367.484 2.879 20 0 FFADHO COCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753753 970678236 /nfs/dbraw/zinc/67/82/36/970678236.db2.gz RKKXUHUHHYLVQI-VAMGGRTRSA-N 1 3 367.578 2.750 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C2)c1 ZINC001088095446 972735722 /nfs/dbraw/zinc/73/57/22/972735722.db2.gz OKYOGYATVDYNSU-QHAWAJNXSA-N 1 3 357.542 2.862 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C2)c1 ZINC001088095446 972735731 /nfs/dbraw/zinc/73/57/31/972735731.db2.gz OKYOGYATVDYNSU-QHAWAJNXSA-N 1 3 357.542 2.862 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088095648 972737771 /nfs/dbraw/zinc/73/77/71/972737771.db2.gz ZWQUVGSKXPDOTH-BHIFYINESA-N 1 3 371.569 2.986 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1)N(C)C ZINC001088095648 972737782 /nfs/dbraw/zinc/73/77/82/972737782.db2.gz ZWQUVGSKXPDOTH-BHIFYINESA-N 1 3 371.569 2.986 20 0 FFADHO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c1 ZINC001088106258 972809328 /nfs/dbraw/zinc/80/93/28/972809328.db2.gz SFHANTWQOLSPIQ-NRSPTQNISA-N 1 3 355.526 2.617 20 0 FFADHO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CC[C@@H](C)C4)C[C@@H]3C2)c1 ZINC001088106258 972809338 /nfs/dbraw/zinc/80/93/38/972809338.db2.gz SFHANTWQOLSPIQ-NRSPTQNISA-N 1 3 355.526 2.617 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3C)CC[C@@H]2C1)N(C)C ZINC001088109570 972839943 /nfs/dbraw/zinc/83/99/43/972839943.db2.gz MCWLSTLYAKUFNJ-HBFSDRIKSA-N 1 3 361.505 2.755 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3C)CC[C@@H]2C1)N(C)C ZINC001088109570 972839951 /nfs/dbraw/zinc/83/99/51/972839951.db2.gz MCWLSTLYAKUFNJ-HBFSDRIKSA-N 1 3 361.505 2.755 20 0 FFADHO CC(=O)N1CCC2(C[NH+](C3C[C@H](C)N(Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001168054512 973027277 /nfs/dbraw/zinc/02/72/77/973027277.db2.gz SQGRCAFOZZOHFR-ROUUACIJSA-N 1 3 355.526 2.982 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnccc3C)CC[C@@H]2C1 ZINC001088211388 973664359 /nfs/dbraw/zinc/66/43/59/973664359.db2.gz HNMGGKUPUTWXBV-HLAWJBBLSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnccc3C)CC[C@@H]2C1 ZINC001088211388 973664365 /nfs/dbraw/zinc/66/43/65/973664365.db2.gz HNMGGKUPUTWXBV-HLAWJBBLSA-N 1 3 370.541 2.545 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000665759399 974087956 /nfs/dbraw/zinc/08/79/56/974087956.db2.gz FLQHVHMAGVGUCW-BJLQDIEVSA-N 1 3 360.546 2.846 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000665759399 974087965 /nfs/dbraw/zinc/08/79/65/974087965.db2.gz FLQHVHMAGVGUCW-BJLQDIEVSA-N 1 3 360.546 2.846 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000661402297 974235143 /nfs/dbraw/zinc/23/51/43/974235143.db2.gz DVEQSMNWXZDDIL-ZCNNSNEGSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000661402297 974235146 /nfs/dbraw/zinc/23/51/46/974235146.db2.gz DVEQSMNWXZDDIL-ZCNNSNEGSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1F)[C@H](c1ccccc1)N(C)C ZINC000652190917 974689422 /nfs/dbraw/zinc/68/94/22/974689422.db2.gz CKMSQMZJCZBLDP-IFXJQAMLSA-N 1 3 358.461 2.775 20 0 FFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675390 974952456 /nfs/dbraw/zinc/95/24/56/974952456.db2.gz QCHOCLWIXUVHEK-SESVDKBCSA-N 1 3 355.526 2.879 20 0 FFADHO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000653148726 1014237415 /nfs/dbraw/zinc/23/74/15/1014237415.db2.gz JIPCNJFEESNRHF-NHCUHLMSSA-N 1 3 355.526 2.684 20 0 FFADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529479 975346870 /nfs/dbraw/zinc/34/68/70/975346870.db2.gz BAICFGHDEQOLMG-FFZOFVMBSA-N 1 3 353.526 2.827 20 0 FFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000662296868 975414339 /nfs/dbraw/zinc/41/43/39/975414339.db2.gz NZTSREFDCCSQMG-IRLDBZIGSA-N 1 3 355.526 2.966 20 0 FFADHO C(=C/c1ccccc1)\CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663511339 976091005 /nfs/dbraw/zinc/09/10/05/976091005.db2.gz JIGQURSYIKSBID-AMGQUURNSA-N 1 3 351.498 2.712 20 0 FFADHO CCN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCN(C)C1 ZINC000663515922 976100097 /nfs/dbraw/zinc/10/00/97/976100097.db2.gz LOEPWXNDJVIYIS-HXUWFJFHSA-N 1 3 358.530 2.908 20 0 FFADHO CC[C@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000663627175 976508431 /nfs/dbraw/zinc/50/84/31/976508431.db2.gz CJMLZKRYZQYDDY-WOJBJXKFSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000663627175 976508444 /nfs/dbraw/zinc/50/84/44/976508444.db2.gz CJMLZKRYZQYDDY-WOJBJXKFSA-N 1 3 358.530 2.559 20 0 FFADHO Cc1ccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CCC[C@H]23)c(C)n1 ZINC000990761642 976959616 /nfs/dbraw/zinc/95/96/16/976959616.db2.gz JVQZGFUQKUTKRS-RPUPUWCGSA-N 1 3 370.541 2.652 20 0 FFADHO Cc1ccc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)c(C)n1 ZINC000990761642 976959625 /nfs/dbraw/zinc/95/96/25/976959625.db2.gz JVQZGFUQKUTKRS-RPUPUWCGSA-N 1 3 370.541 2.652 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccc(F)cc2)CC3)CC[N@@H+]1C ZINC000990768102 977000734 /nfs/dbraw/zinc/00/07/34/977000734.db2.gz ZTLSHIYAWYUTLD-OBZYLPMUSA-N 1 3 359.489 2.779 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccc(F)cc2)CC3)CC[N@H+]1C ZINC000990768102 977000748 /nfs/dbraw/zinc/00/07/48/977000748.db2.gz ZTLSHIYAWYUTLD-OBZYLPMUSA-N 1 3 359.489 2.779 20 0 FFADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000667795476 977046541 /nfs/dbraw/zinc/04/65/41/977046541.db2.gz DMRXBIGIHAEQHS-UHFFFAOYSA-N 1 3 367.497 2.631 20 0 FFADHO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000667794116 977049814 /nfs/dbraw/zinc/04/98/14/977049814.db2.gz ZDFNUOICEYPKSK-UHFFFAOYSA-N 1 3 367.497 2.891 20 0 FFADHO C[C@H](CCNC(=O)Nc1cnc2c(c1)CNCC2)[N@H+](C)Cc1ccccc1 ZINC000667799506 977051995 /nfs/dbraw/zinc/05/19/95/977051995.db2.gz WVJHEADAVFKBBF-MRXNPFEDSA-N 1 3 367.497 2.759 20 0 FFADHO C[C@H](CCNC(=O)Nc1cnc2c(c1)CNCC2)[N@@H+](C)Cc1ccccc1 ZINC000667799506 977052006 /nfs/dbraw/zinc/05/20/06/977052006.db2.gz WVJHEADAVFKBBF-MRXNPFEDSA-N 1 3 367.497 2.759 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccccc1Cl ZINC001268211162 977144716 /nfs/dbraw/zinc/14/47/16/977144716.db2.gz BFFXPKNSZQBYFV-KYJSFNMBSA-N 1 3 351.922 2.911 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccccc1Cl ZINC001268211162 977144725 /nfs/dbraw/zinc/14/47/25/977144725.db2.gz BFFXPKNSZQBYFV-KYJSFNMBSA-N 1 3 351.922 2.911 20 0 FFADHO Cc1[nH]c2ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2c1C ZINC000663824294 977432556 /nfs/dbraw/zinc/43/25/56/977432556.db2.gz CTXMDOIIEGFQCX-HNNXBMFYSA-N 1 3 373.545 2.856 20 0 FFADHO Cc1[nH]c2ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2c1C ZINC000663824294 977432561 /nfs/dbraw/zinc/43/25/61/977432561.db2.gz CTXMDOIIEGFQCX-HNNXBMFYSA-N 1 3 373.545 2.856 20 0 FFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1 ZINC000876902162 1014415622 /nfs/dbraw/zinc/41/56/22/1014415622.db2.gz AMHJJPXDCXNJHD-OFCNEKEDSA-N 1 3 357.498 2.504 20 0 FFADHO CN(C)Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1C(F)(F)F ZINC000924887303 978018966 /nfs/dbraw/zinc/01/89/66/978018966.db2.gz OVLMYUKPPSXGFB-KRWDZBQOSA-N 1 3 373.419 2.552 20 0 FFADHO CN(C)Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1C(F)(F)F ZINC000924887303 978018973 /nfs/dbraw/zinc/01/89/73/978018973.db2.gz OVLMYUKPPSXGFB-KRWDZBQOSA-N 1 3 373.419 2.552 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3ccccc3OC3CC3)C2)CC[N@@H+]1C ZINC001028548430 978024596 /nfs/dbraw/zinc/02/45/96/978024596.db2.gz ADWHTZUGAYSGHT-FUHIMQAGSA-N 1 3 371.525 2.506 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3ccccc3OC3CC3)C2)CC[N@H+]1C ZINC001028548430 978024602 /nfs/dbraw/zinc/02/46/02/978024602.db2.gz ADWHTZUGAYSGHT-FUHIMQAGSA-N 1 3 371.525 2.506 20 0 FFADHO CC(C)[C@@H]1N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC12CC=CC2 ZINC000645229053 978025601 /nfs/dbraw/zinc/02/56/01/978025601.db2.gz HNWUAFYUXFNLQM-FQEVSTJZSA-N 1 3 374.573 2.931 20 0 FFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000647835685 978340097 /nfs/dbraw/zinc/34/00/97/978340097.db2.gz IRECVJSBGVSCGW-UHFFFAOYSA-N 1 3 357.473 2.742 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nn2cc(-c3cccnc3)nc2s1 ZINC000664195296 978343818 /nfs/dbraw/zinc/34/38/18/978343818.db2.gz BLRWYYOSMIFYPW-AWEZNQCLSA-N 1 3 373.530 2.537 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nn2cc(-c3cccnc3)nc2s1 ZINC000664195296 978343824 /nfs/dbraw/zinc/34/38/24/978343824.db2.gz BLRWYYOSMIFYPW-AWEZNQCLSA-N 1 3 373.530 2.537 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCOc2cccc(C)c2)CC[N@@H+]1C ZINC001268731017 978378697 /nfs/dbraw/zinc/37/86/97/978378697.db2.gz LJCOJLVCVZJCIP-YSIASYRMSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCOc2cccc(C)c2)CC[N@H+]1C ZINC001268731017 978378704 /nfs/dbraw/zinc/37/87/04/978378704.db2.gz LJCOJLVCVZJCIP-YSIASYRMSA-N 1 3 361.530 2.541 20 0 FFADHO c1ccc([C@@H]2C[C@H](NC[C@@H]3COC4(CCOCC4)O3)CC[N@@H+]2C2CC2)cc1 ZINC000877143087 1014486690 /nfs/dbraw/zinc/48/66/90/1014486690.db2.gz ZWQARORQGAISBJ-NRSPTQNISA-N 1 3 372.509 2.866 20 0 FFADHO c1ccc([C@@H]2C[C@H](NC[C@@H]3COC4(CCOCC4)O3)CC[N@H+]2C2CC2)cc1 ZINC000877143087 1014486699 /nfs/dbraw/zinc/48/66/99/1014486699.db2.gz ZWQARORQGAISBJ-NRSPTQNISA-N 1 3 372.509 2.866 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000664264196 978467267 /nfs/dbraw/zinc/46/72/67/978467267.db2.gz VRFAJUITBGWLTF-CABCVRRESA-N 1 3 370.488 2.640 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000664264196 978467270 /nfs/dbraw/zinc/46/72/70/978467270.db2.gz VRFAJUITBGWLTF-CABCVRRESA-N 1 3 370.488 2.640 20 0 FFADHO C[C@H](c1cccc(F)c1)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076203927 979221192 /nfs/dbraw/zinc/22/11/92/979221192.db2.gz KBNAFSULQGJWPR-MOXGXCLJSA-N 1 3 359.489 2.761 20 0 FFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076206628 979225097 /nfs/dbraw/zinc/22/50/97/979225097.db2.gz YUGRSFWTFTWAFA-FXAWDEMLSA-N 1 3 359.489 2.509 20 0 FFADHO O=C(N1CC[C@H]2CN(Cc3ccc(C4CC4)cc3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469223 979526240 /nfs/dbraw/zinc/52/62/40/979526240.db2.gz WNOOZWKHHCKRQQ-LEWJYISDSA-N 1 3 365.521 2.693 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H](C)[C@H]3CC[NH3+])c2)CC1 ZINC000904421778 980276446 /nfs/dbraw/zinc/27/64/46/980276446.db2.gz RMERXNWJBRYELG-FXAWDEMLSA-N 1 3 373.545 2.810 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877747439 1014706243 /nfs/dbraw/zinc/70/62/43/1014706243.db2.gz LGTAJLGLTSAQBL-UHFFFAOYSA-N 1 3 367.541 2.701 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccc(CF)cc1 ZINC001088571470 981162052 /nfs/dbraw/zinc/16/20/52/981162052.db2.gz BGOMFCVVSOFEQX-YSGRDPCXSA-N 1 3 359.489 2.577 20 0 FFADHO CCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000666736465 981300925 /nfs/dbraw/zinc/30/09/25/981300925.db2.gz MIKLKZGFDVDXPP-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO CCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000666736465 981300927 /nfs/dbraw/zinc/30/09/27/981300927.db2.gz MIKLKZGFDVDXPP-FQEVSTJZSA-N 1 3 373.545 2.777 20 0 FFADHO COc1ccc(C(=O)NC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168393241 984463963 /nfs/dbraw/zinc/46/39/63/984463963.db2.gz ZKRIANYVLMAVMF-UHFFFAOYSA-N 1 3 371.525 2.764 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC(C)C)CC2 ZINC001107426220 984527308 /nfs/dbraw/zinc/52/73/08/984527308.db2.gz JTQCXDGEGOINTJ-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC(C)C)CC2 ZINC001107426220 984527320 /nfs/dbraw/zinc/52/73/20/984527320.db2.gz JTQCXDGEGOINTJ-SFHLNBCPSA-N 1 3 365.562 2.647 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c2ccccc2)CC1 ZINC000669402589 984532327 /nfs/dbraw/zinc/53/23/27/984532327.db2.gz LWCTXTLPRQGHGY-HLAWJBBLSA-N 1 3 370.541 2.853 20 0 FFADHO Cc1ccncc1C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438535 984539349 /nfs/dbraw/zinc/53/93/49/984539349.db2.gz DOXACYUTHPGQMI-IFMALSPDSA-N 1 3 370.541 2.735 20 0 FFADHO Cc1ccncc1C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438535 984539354 /nfs/dbraw/zinc/53/93/54/984539354.db2.gz DOXACYUTHPGQMI-IFMALSPDSA-N 1 3 370.541 2.735 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1ocnc1C)CC2 ZINC001107455144 984560190 /nfs/dbraw/zinc/56/01/90/984560190.db2.gz ZZBYQGOGHBKIFF-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1ocnc1C)CC2 ZINC001107455144 984560192 /nfs/dbraw/zinc/56/01/92/984560192.db2.gz ZZBYQGOGHBKIFF-YLJYHZDGSA-N 1 3 362.518 2.574 20 0 FFADHO C[N@H+](CCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)C1CCCCC1 ZINC001107482654 984592862 /nfs/dbraw/zinc/59/28/62/984592862.db2.gz MPSYGBNQVUITGY-UYAOXDASSA-N 1 3 353.526 2.971 20 0 FFADHO C[N@@H+](CCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)C1CCCCC1 ZINC001107482654 984592864 /nfs/dbraw/zinc/59/28/64/984592864.db2.gz MPSYGBNQVUITGY-UYAOXDASSA-N 1 3 353.526 2.971 20 0 FFADHO COCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567363 984711846 /nfs/dbraw/zinc/71/18/46/984711846.db2.gz SSOFBBUMWRTWLH-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO COCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567363 984711850 /nfs/dbraw/zinc/71/18/50/984711850.db2.gz SSOFBBUMWRTWLH-SFHLNBCPSA-N 1 3 365.562 2.648 20 0 FFADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000669545758 984760299 /nfs/dbraw/zinc/76/02/99/984760299.db2.gz CJWQYKDYFJPHTH-ANULTFPQSA-N 1 3 370.541 2.853 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001112117834 984795529 /nfs/dbraw/zinc/79/55/29/984795529.db2.gz FGTNXTDYQZUPFK-KFWWJZLASA-N 1 3 369.447 2.691 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@@H]1CCCCO1)CC2 ZINC001107615190 984824796 /nfs/dbraw/zinc/82/47/96/984824796.db2.gz WQVQJWNFGNPODA-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@@H]1CCCCO1)CC2 ZINC001107615190 984824812 /nfs/dbraw/zinc/82/48/12/984824812.db2.gz WQVQJWNFGNPODA-QKNQBKEWSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@H]1[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCN1Cc1ccccc1 ZINC000669587481 984866882 /nfs/dbraw/zinc/86/68/82/984866882.db2.gz KWAMOSKNBNBUKU-HRAATJIYSA-N 1 3 364.493 2.752 20 0 FFADHO CCO[C@@H](C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12)C1CC1 ZINC001107646725 984937826 /nfs/dbraw/zinc/93/78/26/984937826.db2.gz SCZAXLWHCHIZCE-QKNQBKEWSA-N 1 3 365.562 2.503 20 0 FFADHO CCO[C@@H](C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12)C1CC1 ZINC001107646725 984937832 /nfs/dbraw/zinc/93/78/32/984937832.db2.gz SCZAXLWHCHIZCE-QKNQBKEWSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1ncsc1C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646676 984937872 /nfs/dbraw/zinc/93/78/72/984937872.db2.gz PRZQKRHVXDULBG-IEBWSBKVSA-N 1 3 364.559 2.653 20 0 FFADHO Cc1ncsc1C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C(C)C)CCC[C@@H]12 ZINC001107646676 984937878 /nfs/dbraw/zinc/93/78/78/984937878.db2.gz PRZQKRHVXDULBG-IEBWSBKVSA-N 1 3 364.559 2.653 20 0 FFADHO C[C@H](CN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C[NH+]1CCCCC1 ZINC000765241609 984999592 /nfs/dbraw/zinc/99/95/92/984999592.db2.gz ZGLZGKWWBPBDOC-URVUXULASA-N 1 3 359.558 2.988 20 0 FFADHO O[C@H](C[C@H](O)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000878535668 1015089301 /nfs/dbraw/zinc/08/93/01/1015089301.db2.gz AHSPBDPJAMEGKS-GSPCLOLRSA-N 1 3 366.505 2.535 20 0 FFADHO O[C@H](C[C@H](O)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000878535668 1015089309 /nfs/dbraw/zinc/08/93/09/1015089309.db2.gz AHSPBDPJAMEGKS-GSPCLOLRSA-N 1 3 366.505 2.535 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654725782 985369276 /nfs/dbraw/zinc/36/92/76/985369276.db2.gz KKYLZAHNRZREFH-PMACEKPBSA-N 1 3 374.529 2.902 20 0 FFADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654725782 985369289 /nfs/dbraw/zinc/36/92/89/985369289.db2.gz KKYLZAHNRZREFH-PMACEKPBSA-N 1 3 374.529 2.902 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CC[C@@H]1CCCO1 ZINC001089059108 986137004 /nfs/dbraw/zinc/13/70/04/986137004.db2.gz ZSSRKOSAVXGDJV-UXPWSPDFSA-N 1 3 359.514 2.510 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CC[C@@H]1CCCO1 ZINC001089059108 986137006 /nfs/dbraw/zinc/13/70/06/986137006.db2.gz ZSSRKOSAVXGDJV-UXPWSPDFSA-N 1 3 359.514 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@@H+]1C ZINC001007369057 1015202732 /nfs/dbraw/zinc/20/27/32/1015202732.db2.gz OWMANEYTKYKUAB-SVFBPWRDSA-N 1 3 368.525 2.979 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC[N@H+]1C ZINC001007369057 1015202736 /nfs/dbraw/zinc/20/27/36/1015202736.db2.gz OWMANEYTKYKUAB-SVFBPWRDSA-N 1 3 368.525 2.979 20 0 FFADHO CCc1ccccc1CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007376940 1015209911 /nfs/dbraw/zinc/20/99/11/1015209911.db2.gz OTGFBTNSTRIXML-JRGCBEDISA-N 1 3 357.542 2.712 20 0 FFADHO CCc1ccccc1CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007376940 1015209916 /nfs/dbraw/zinc/20/99/16/1015209916.db2.gz OTGFBTNSTRIXML-JRGCBEDISA-N 1 3 357.542 2.712 20 0 FFADHO COc1cccc([C@]2(C)CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903933255 987109581 /nfs/dbraw/zinc/10/95/81/987109581.db2.gz NFDMGAVEQPEEEN-LAUBAEHRSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(C4CC4)cc3)CC2)CC[N@@H+]1C ZINC001002860123 987554109 /nfs/dbraw/zinc/55/41/09/987554109.db2.gz HBLKEUMEASWYQC-IIBYNOLFSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(C4CC4)cc3)CC2)CC[N@H+]1C ZINC001002860123 987554116 /nfs/dbraw/zinc/55/41/16/987554116.db2.gz HBLKEUMEASWYQC-IIBYNOLFSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001106249230 987756462 /nfs/dbraw/zinc/75/64/62/987756462.db2.gz CVMUMMQMWRQVRU-UUWMFPHWSA-N 1 3 355.526 2.724 20 0 FFADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000762271414 988267814 /nfs/dbraw/zinc/26/78/14/988267814.db2.gz KEOMYALFCQLOQP-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2cccs2)[C@H](C)C1)N(C)C ZINC001106633131 988537521 /nfs/dbraw/zinc/53/75/21/988537521.db2.gz AADIYKVFZDLDNL-JFIYKMOQSA-N 1 3 351.560 2.561 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC000922389732 988537632 /nfs/dbraw/zinc/53/76/32/988537632.db2.gz JRTQQLZPKNVORQ-BDXSIMOUSA-N 1 3 372.431 2.980 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(O)cc(C(F)(F)F)c1)C2 ZINC000922389732 988537641 /nfs/dbraw/zinc/53/76/41/988537641.db2.gz JRTQQLZPKNVORQ-BDXSIMOUSA-N 1 3 372.431 2.980 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001106672604 988622462 /nfs/dbraw/zinc/62/24/62/988622462.db2.gz GMSWUXCTLNPXAH-ZIAGYGMSSA-N 1 3 364.361 2.967 20 0 FFADHO C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247948 1015437027 /nfs/dbraw/zinc/43/70/27/1015437027.db2.gz HHYZCVHSXHPCGO-INIZCTEOSA-N 1 3 358.486 2.531 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)[N@H+](C)C1CC1 ZINC000673773708 989244108 /nfs/dbraw/zinc/24/41/08/989244108.db2.gz KLZVSDJRBQVQSF-MSOLQXFVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000673773708 989244114 /nfs/dbraw/zinc/24/41/14/989244114.db2.gz KLZVSDJRBQVQSF-MSOLQXFVSA-N 1 3 358.530 2.775 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000652191393 1015493387 /nfs/dbraw/zinc/49/33/87/1015493387.db2.gz SZKAEDOZGBSUNK-JXFKEZNVSA-N 1 3 354.498 2.897 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652192641 1015493672 /nfs/dbraw/zinc/49/36/72/1015493672.db2.gz IFTQNDUPENOVCO-GOSISDBHSA-N 1 3 362.518 2.505 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001033839505 989753210 /nfs/dbraw/zinc/75/32/10/989753210.db2.gz SRBXZQUCXYLEBD-LSTHTHJFSA-N 1 3 368.525 2.931 20 0 FFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC001033839505 989753215 /nfs/dbraw/zinc/75/32/15/989753215.db2.gz SRBXZQUCXYLEBD-LSTHTHJFSA-N 1 3 368.525 2.931 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000675102084 990042862 /nfs/dbraw/zinc/04/28/62/990042862.db2.gz MSBZDTBACPYYST-DUXKGJEZSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000675102084 990042874 /nfs/dbraw/zinc/04/28/74/990042874.db2.gz MSBZDTBACPYYST-DUXKGJEZSA-N 1 3 370.541 2.996 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc2O1 ZINC000675511485 990296029 /nfs/dbraw/zinc/29/60/29/990296029.db2.gz JOFSHIUHSSARNK-IEBWSBKVSA-N 1 3 371.525 2.997 20 0 FFADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2O1 ZINC000675511485 990296033 /nfs/dbraw/zinc/29/60/33/990296033.db2.gz JOFSHIUHSSARNK-IEBWSBKVSA-N 1 3 371.525 2.997 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000675532371 990297554 /nfs/dbraw/zinc/29/75/54/990297554.db2.gz GEPOMEQEPRWFGU-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000675532371 990297559 /nfs/dbraw/zinc/29/75/59/990297559.db2.gz GEPOMEQEPRWFGU-SXLOBPIMSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675577118 990310981 /nfs/dbraw/zinc/31/09/81/990310981.db2.gz WSJHJPKZGOIIHL-XLIONFOSSA-N 1 3 358.530 2.633 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923180828 990936566 /nfs/dbraw/zinc/93/65/66/990936566.db2.gz SWYRRJRBPCPPEF-HXUWFJFHSA-N 1 3 373.541 2.658 20 0 FFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000923390851 991110016 /nfs/dbraw/zinc/11/00/16/991110016.db2.gz YOLXAPSAXLUKBY-KNCCTNLNSA-N 1 3 372.431 2.957 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106905281 991295288 /nfs/dbraw/zinc/29/52/88/991295288.db2.gz ILMYAUOYBAXQEI-XPWVWULPSA-N 1 3 350.334 2.721 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNC/C(Cl)=C/Cl)[C@H](C)C1 ZINC001106905281 991295295 /nfs/dbraw/zinc/29/52/95/991295295.db2.gz ILMYAUOYBAXQEI-XPWVWULPSA-N 1 3 350.334 2.721 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCc2cccc(F)c2F)CC[N@@H+]1C ZINC001484993159 991806026 /nfs/dbraw/zinc/80/60/26/991806026.db2.gz ZSMLVNZTBJCJIN-JLJPHGGASA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)NCc2cccc(F)c2F)CC[N@H+]1C ZINC001484993159 991806033 /nfs/dbraw/zinc/80/60/33/991806033.db2.gz ZSMLVNZTBJCJIN-JLJPHGGASA-N 1 3 353.457 2.680 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCC2CC2)C1)N(C)C ZINC001079300348 991955095 /nfs/dbraw/zinc/95/50/95/991955095.db2.gz CYFNEQPKQXYGED-DFQSSKMNSA-N 1 3 361.505 2.850 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cc(C(C)C)ccc2OC)CC[N@@H+]1C ZINC001127701496 992282349 /nfs/dbraw/zinc/28/23/49/992282349.db2.gz QNBALJWWXKBNCT-RBUKOAKNSA-N 1 3 361.530 2.755 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cc(C(C)C)ccc2OC)CC[N@H+]1C ZINC001127701496 992282361 /nfs/dbraw/zinc/28/23/61/992282361.db2.gz QNBALJWWXKBNCT-RBUKOAKNSA-N 1 3 361.530 2.755 20 0 FFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001079710521 992349672 /nfs/dbraw/zinc/34/96/72/992349672.db2.gz MDMPIRQXMXJWMX-ZPMCFJSWSA-N 1 3 369.553 2.917 20 0 FFADHO CCc1ccccc1CN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037064 992686595 /nfs/dbraw/zinc/68/65/95/992686595.db2.gz FKKRWGCBHYWGNX-YLJYHZDGSA-N 1 3 355.526 2.814 20 0 FFADHO C[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001080559158 993164644 /nfs/dbraw/zinc/16/46/44/993164644.db2.gz XVNFCSVLFOVVSO-ZBSWTGBCSA-N 1 3 355.526 2.868 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC001107040110 993300231 /nfs/dbraw/zinc/30/02/31/993300231.db2.gz DBCQATRHKWHDSN-NVXWUHKLSA-N 1 3 367.484 2.532 20 0 FFADHO CCN1C[C@H](C)N(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000808664350 994208584 /nfs/dbraw/zinc/20/85/84/994208584.db2.gz WFMIYKXMQPGIJH-BXVSXNKXSA-N 1 3 359.514 2.581 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001131519016 994349077 /nfs/dbraw/zinc/34/90/77/994349077.db2.gz AQJUVACHJKSLTR-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CCCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001131522529 994363461 /nfs/dbraw/zinc/36/34/61/994363461.db2.gz LZEMZXFAGMYUMU-MOPGFXCFSA-N 1 3 367.578 2.893 20 0 FFADHO CCC(CC)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001131570092 994408274 /nfs/dbraw/zinc/40/82/74/994408274.db2.gz AQJUVACHJKSLTR-AABGKKOBSA-N 1 3 367.578 2.749 20 0 FFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810449810 994792644 /nfs/dbraw/zinc/79/26/44/994792644.db2.gz OKSSQLOXXHNJNX-RXVVDRJESA-N 1 3 361.505 2.932 20 0 FFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810449810 994792667 /nfs/dbraw/zinc/79/26/67/994792667.db2.gz OKSSQLOXXHNJNX-RXVVDRJESA-N 1 3 361.505 2.932 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cnc(Cl)s2)C1 ZINC001082544944 994887312 /nfs/dbraw/zinc/88/73/12/994887312.db2.gz YTEWJAFXTFDRBK-BPLDGKMQSA-N 1 3 370.950 2.607 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cnc(Cl)s2)C1 ZINC001082544944 994887322 /nfs/dbraw/zinc/88/73/22/994887322.db2.gz YTEWJAFXTFDRBK-BPLDGKMQSA-N 1 3 370.950 2.607 20 0 FFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC001082557365 994928273 /nfs/dbraw/zinc/92/82/73/994928273.db2.gz ZLGLGSIAPJQELK-BZUAXINKSA-N 1 3 357.489 2.733 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082559771 994933793 /nfs/dbraw/zinc/93/37/93/994933793.db2.gz PCPUZHJWNDCSGH-UIFIKXQLSA-N 1 3 370.541 2.734 20 0 FFADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559771 994933808 /nfs/dbraw/zinc/93/38/08/994933808.db2.gz PCPUZHJWNDCSGH-UIFIKXQLSA-N 1 3 370.541 2.734 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1)N(C)C ZINC001082724881 995362982 /nfs/dbraw/zinc/36/29/82/995362982.db2.gz RXHIRESZNHTQRJ-NIKGAXFTSA-N 1 3 367.484 2.530 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC001082741006 995395752 /nfs/dbraw/zinc/39/57/52/995395752.db2.gz MWPDAHAGCVJQLD-CBGDNZLLSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC001082742967 995400133 /nfs/dbraw/zinc/40/01/33/995400133.db2.gz YVHMRKKZHVOSJP-HDMKZQKVSA-N 1 3 365.468 2.903 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742566 995400444 /nfs/dbraw/zinc/40/04/44/995400444.db2.gz KGOITKMVBKSPPK-IDHHARJASA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742566 995400455 /nfs/dbraw/zinc/40/04/55/995400455.db2.gz KGOITKMVBKSPPK-IDHHARJASA-N 1 3 363.933 2.927 20 0 FFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001082742566 995400457 /nfs/dbraw/zinc/40/04/57/995400457.db2.gz KGOITKMVBKSPPK-IDHHARJASA-N 1 3 363.933 2.927 20 0 FFADHO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000676760632 1015976632 /nfs/dbraw/zinc/97/66/32/1015976632.db2.gz KLNBFSAQBBDHLJ-SKINQDTJSA-N 1 3 358.530 2.530 20 0 FFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC001082943281 995881068 /nfs/dbraw/zinc/88/10/68/995881068.db2.gz BPVPJNDKRQHMGW-YSGRDPCXSA-N 1 3 358.530 2.509 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001084406420 996550652 /nfs/dbraw/zinc/55/06/52/996550652.db2.gz PFJUJCVBGGTBHM-NJYVYQBISA-N 1 3 355.526 2.622 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001084406420 996550655 /nfs/dbraw/zinc/55/06/55/996550655.db2.gz PFJUJCVBGGTBHM-NJYVYQBISA-N 1 3 355.526 2.622 20 0 FFADHO O=C(N1C[C@H]2CCN([C@H]3CCc4ccccc43)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484257 996603711 /nfs/dbraw/zinc/60/37/11/996603711.db2.gz LQGOAAMQHDCHON-HLAWJBBLSA-N 1 3 365.521 2.835 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2CC[N@H+](CCCc3ccsc3)C[C@H]21 ZINC001084661136 996781935 /nfs/dbraw/zinc/78/19/35/996781935.db2.gz IGBLBDHGHIPLOP-QXAKKESOSA-N 1 3 361.555 2.698 20 0 FFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2CC[N@@H+](CCCc3ccsc3)C[C@H]21 ZINC001084661136 996781940 /nfs/dbraw/zinc/78/19/40/996781940.db2.gz IGBLBDHGHIPLOP-QXAKKESOSA-N 1 3 361.555 2.698 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cc5ccccc5s4)C[C@H]32)C1 ZINC001084830847 997577590 /nfs/dbraw/zinc/57/75/90/997577590.db2.gz LEVAEJNPVFYBGJ-ZHALLVOQSA-N 1 3 369.534 2.886 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(Cc4cc5ccccc5s4)C[C@H]32)C1 ZINC001084830847 997577606 /nfs/dbraw/zinc/57/76/06/997577606.db2.gz LEVAEJNPVFYBGJ-ZHALLVOQSA-N 1 3 369.534 2.886 20 0 FFADHO COc1cc2c(cc1OC)C(C)(C)N(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903784981 1016197557 /nfs/dbraw/zinc/19/75/57/1016197557.db2.gz SWSJCFFDIHLPMF-KKSFZXQISA-N 1 3 360.498 2.566 20 0 FFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001084941345 998249291 /nfs/dbraw/zinc/24/92/91/998249291.db2.gz CIOJHGQIJNPPMM-QRVBRYPASA-N 1 3 359.539 2.513 20 0 FFADHO Cc1ccc(CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001091037106 998255381 /nfs/dbraw/zinc/25/53/81/998255381.db2.gz FSMQLKHWGGQWCA-VSVYTNTFSA-N 1 3 363.933 2.973 20 0 FFADHO Cc1ccc(CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001091037106 998255391 /nfs/dbraw/zinc/25/53/91/998255391.db2.gz FSMQLKHWGGQWCA-VSVYTNTFSA-N 1 3 363.933 2.973 20 0 FFADHO CN1CCC(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000731943284 998345420 /nfs/dbraw/zinc/34/54/20/998345420.db2.gz KRGAOYKTSPVSPD-IHWFROFDSA-N 1 3 372.582 2.740 20 0 FFADHO CN1CCC(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000731943284 998345434 /nfs/dbraw/zinc/34/54/34/998345434.db2.gz KRGAOYKTSPVSPD-IHWFROFDSA-N 1 3 372.582 2.740 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085032387 998731072 /nfs/dbraw/zinc/73/10/72/998731072.db2.gz DMAGDMKKSOSCNV-QZIULLMPSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](C/C=C/c4ccccc4)[C@H]3C2)C1 ZINC001085032387 998731078 /nfs/dbraw/zinc/73/10/78/998731078.db2.gz DMAGDMKKSOSCNV-QZIULLMPSA-N 1 3 367.537 2.964 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000733333565 998965269 /nfs/dbraw/zinc/96/52/69/998965269.db2.gz QSZUHMSKQCAAOV-IBGZPJMESA-N 1 3 360.502 2.513 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC001085217447 999184655 /nfs/dbraw/zinc/18/46/55/999184655.db2.gz BNQXHSPGQPERJK-VAMGGRTRSA-N 1 3 365.562 2.695 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1)N1CCCC1 ZINC001085295467 999312257 /nfs/dbraw/zinc/31/22/57/999312257.db2.gz HMYQLJCUEMLTLE-QZTJIDSGSA-N 1 3 362.493 2.612 20 0 FFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)C1 ZINC001085306502 999330574 /nfs/dbraw/zinc/33/05/74/999330574.db2.gz CKWKKPAKTCBBQN-MISYRCLQSA-N 1 3 358.530 2.721 20 0 FFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccn2)C1 ZINC001085306502 999330580 /nfs/dbraw/zinc/33/05/80/999330580.db2.gz CKWKKPAKTCBBQN-MISYRCLQSA-N 1 3 358.530 2.721 20 0 FFADHO CC(C)c1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001085395026 999451615 /nfs/dbraw/zinc/45/16/15/999451615.db2.gz QVYKZBZCUIIZIS-WOJBJXKFSA-N 1 3 370.541 2.818 20 0 FFADHO C[C@@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccnc1 ZINC000181644301 999865388 /nfs/dbraw/zinc/86/53/88/999865388.db2.gz SIVJBRAOGZAPAC-MRXNPFEDSA-N 1 3 370.522 2.920 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cccc(Cl)c3F)C2)CC[N@@H+]1C ZINC001086371253 999875793 /nfs/dbraw/zinc/87/57/93/999875793.db2.gz YCUWTMLOWGJHBA-RRCSTGOVSA-N 1 3 367.896 2.804 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cccc(Cl)c3F)C2)CC[N@H+]1C ZINC001086371253 999875796 /nfs/dbraw/zinc/87/57/96/999875796.db2.gz YCUWTMLOWGJHBA-RRCSTGOVSA-N 1 3 367.896 2.804 20 0 FFADHO CC(C)c1cccc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086371179 999875812 /nfs/dbraw/zinc/87/58/12/999875812.db2.gz URZBXUZZTBARAX-PSBWJHGTSA-N 1 3 358.530 2.530 20 0 FFADHO CC(C)c1cccc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086371179 999875815 /nfs/dbraw/zinc/87/58/15/999875815.db2.gz URZBXUZZTBARAX-PSBWJHGTSA-N 1 3 358.530 2.530 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746397527 999985921 /nfs/dbraw/zinc/98/59/21/999985921.db2.gz MTHJHGYMLRSTPV-PMACEKPBSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746397527 999985923 /nfs/dbraw/zinc/98/59/23/999985923.db2.gz MTHJHGYMLRSTPV-PMACEKPBSA-N 1 3 374.598 2.942 20 0 FFADHO COc1ccc(CN2CC[C@H](N3CCC([NH3+])(CC4CC4)CC3)CC2=O)cc1 ZINC001168916335 1000008855 /nfs/dbraw/zinc/00/88/55/1000008855.db2.gz RBIBNDLVFSDWGL-IBGZPJMESA-N 1 3 371.525 2.780 20 0 FFADHO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccc2c(c1)COC21CNC1 ZINC001168999545 1000014441 /nfs/dbraw/zinc/01/44/41/1000014441.db2.gz MPNNNRYSFPCZSP-UHFFFAOYSA-N 1 3 368.868 2.899 20 0 FFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3OCCC[C@]3(COc3ccccn3)C1)C2 ZINC001169133796 1000024023 /nfs/dbraw/zinc/02/40/23/1000024023.db2.gz KYJAPKYRKDGPGM-GXQSQTKBSA-N 1 3 371.525 2.957 20 0 FFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3OCCC[C@]3(COc3ccccn3)C1)C2 ZINC001169133796 1000024025 /nfs/dbraw/zinc/02/40/25/1000024025.db2.gz KYJAPKYRKDGPGM-GXQSQTKBSA-N 1 3 371.525 2.957 20 0 FFADHO Cc1cccc(CO[C@H]2CO[C@@]3(CCN([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)n1 ZINC001169138501 1000025025 /nfs/dbraw/zinc/02/50/25/1000025025.db2.gz HTDWLVALYMARCZ-CTWRKMMKSA-N 1 3 371.525 2.765 20 0 FFADHO Cc1cccc(CO[C@H]2CO[C@@]3(CCN([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)n1 ZINC001169138501 1000025026 /nfs/dbraw/zinc/02/50/26/1000025026.db2.gz HTDWLVALYMARCZ-CTWRKMMKSA-N 1 3 371.525 2.765 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CO1 ZINC001169354160 1000043049 /nfs/dbraw/zinc/04/30/49/1000043049.db2.gz SUNMAOJPLQHADH-MOPGFXCFSA-N 1 3 352.519 2.731 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CO1 ZINC001169354160 1000043051 /nfs/dbraw/zinc/04/30/51/1000043051.db2.gz SUNMAOJPLQHADH-MOPGFXCFSA-N 1 3 352.519 2.731 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC001169407221 1000044014 /nfs/dbraw/zinc/04/40/14/1000044014.db2.gz AMXXKMRCNULHEC-AABGKKOBSA-N 1 3 360.498 2.551 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001169407221 1000044016 /nfs/dbraw/zinc/04/40/16/1000044016.db2.gz AMXXKMRCNULHEC-AABGKKOBSA-N 1 3 360.498 2.551 20 0 FFADHO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CO1 ZINC001169409317 1000044458 /nfs/dbraw/zinc/04/44/58/1000044458.db2.gz GXMPQZLNQHSBEU-VQTJNVASSA-N 1 3 372.509 2.695 20 0 FFADHO CC(=O)N1CCC[C@H]([NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)C1 ZINC001169605952 1000061933 /nfs/dbraw/zinc/06/19/33/1000061933.db2.gz NHEAGWUWZUWLDY-AZUAARDMSA-N 1 3 359.514 2.967 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1 ZINC001109360633 1000311943 /nfs/dbraw/zinc/31/19/43/1000311943.db2.gz CJDVTCHMODZOJM-XWSJACJDSA-N 1 3 365.537 2.968 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1 ZINC001109360633 1000311949 /nfs/dbraw/zinc/31/19/49/1000311949.db2.gz CJDVTCHMODZOJM-XWSJACJDSA-N 1 3 365.537 2.968 20 0 FFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc3c(c2)CCC3)CC1 ZINC001109649120 1000778021 /nfs/dbraw/zinc/77/80/21/1000778021.db2.gz SUEZNBTYEGNXMK-HKBOAZHASA-N 1 3 367.537 2.739 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1 ZINC001109651209 1000781647 /nfs/dbraw/zinc/78/16/47/1000781647.db2.gz OXVVSFFDHPFUFA-AABGKKOBSA-N 1 3 355.526 2.812 20 0 FFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC001086882927 1001300777 /nfs/dbraw/zinc/30/07/77/1001300777.db2.gz VAHGYEWABQSZFQ-SCTDSRPQSA-N 1 3 362.518 2.540 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001112548897 1001458902 /nfs/dbraw/zinc/45/89/02/1001458902.db2.gz YKFWYPIEPURJGI-XLKPZTHESA-N 1 3 362.345 2.866 20 0 FFADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087059330 1001759211 /nfs/dbraw/zinc/75/92/11/1001759211.db2.gz ZDGNZFQEKDZHCH-RTBURBONSA-N 1 3 365.562 2.504 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@]2(C)C1)N(C)C ZINC001091780629 1001904884 /nfs/dbraw/zinc/90/48/84/1001904884.db2.gz SXDCYLNUMKVTBH-SJBKTWHCSA-N 1 3 357.542 2.924 20 0 FFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@]2(C)C1)N(C)C ZINC001091780629 1001904890 /nfs/dbraw/zinc/90/48/90/1001904890.db2.gz SXDCYLNUMKVTBH-SJBKTWHCSA-N 1 3 357.542 2.924 20 0 FFADHO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCN1CC1CC1 ZINC001182553647 1001947322 /nfs/dbraw/zinc/94/73/22/1001947322.db2.gz ALNMVAAEFYRHLC-FQEVSTJZSA-N 1 3 357.498 2.974 20 0 FFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001095525101 1016626510 /nfs/dbraw/zinc/62/65/10/1016626510.db2.gz BIJKXDNYLIAUAW-CZYKHXBRSA-N 1 3 369.553 2.929 20 0 FFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCc2ccccc2)C1 ZINC001095525101 1016626516 /nfs/dbraw/zinc/62/65/16/1016626516.db2.gz BIJKXDNYLIAUAW-CZYKHXBRSA-N 1 3 369.553 2.929 20 0 FFADHO Fc1cc(F)c2c(c1)C[C@@H](NC1CC[NH+](C[C@H]3CCCO3)CC1)CO2 ZINC001184277640 1002558715 /nfs/dbraw/zinc/55/87/15/1002558715.db2.gz LCQPHKDYFYUGLC-IAGOWNOFSA-N 1 3 352.425 2.501 20 0 FFADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2ccccc2o1 ZINC001096886299 1016676834 /nfs/dbraw/zinc/67/68/34/1016676834.db2.gz IVKPVBYTIQQDKL-OQIJWPOYSA-N 1 3 353.466 2.749 20 0 FFADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2ccccc2o1 ZINC001096886299 1016676843 /nfs/dbraw/zinc/67/68/43/1016676843.db2.gz IVKPVBYTIQQDKL-OQIJWPOYSA-N 1 3 353.466 2.749 20 0 FFADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc2ccccc2o1 ZINC001096886299 1016676850 /nfs/dbraw/zinc/67/68/50/1016676850.db2.gz IVKPVBYTIQQDKL-OQIJWPOYSA-N 1 3 353.466 2.749 20 0 FFADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc2ccccc2o1 ZINC001096886299 1016676857 /nfs/dbraw/zinc/67/68/57/1016676857.db2.gz IVKPVBYTIQQDKL-OQIJWPOYSA-N 1 3 353.466 2.749 20 0 FFADHO CCCOc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)c1 ZINC001096887278 1016680112 /nfs/dbraw/zinc/68/01/12/1016680112.db2.gz FZXWFGCZPYNRRR-PBASOCQRSA-N 1 3 371.525 2.791 20 0 FFADHO CCCOc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)c1 ZINC001096887278 1016680119 /nfs/dbraw/zinc/68/01/19/1016680119.db2.gz FZXWFGCZPYNRRR-PBASOCQRSA-N 1 3 371.525 2.791 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCc3ccccc3Cl)C2)C1=O ZINC001276282595 1016710978 /nfs/dbraw/zinc/71/09/78/1016710978.db2.gz PUCKVEWOIULDCI-HXUWFJFHSA-N 1 3 363.933 2.759 20 0 FFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCc3ccccc3Cl)C2)C1=O ZINC001276282595 1016710990 /nfs/dbraw/zinc/71/09/90/1016710990.db2.gz PUCKVEWOIULDCI-HXUWFJFHSA-N 1 3 363.933 2.759 20 0 FFADHO N=C(N)N(CCCC[NH3+])C(=O)/C=C/c1cccc(OCc2ccccc2)c1 ZINC001186856871 1003468396 /nfs/dbraw/zinc/46/83/96/1003468396.db2.gz MAKPZQDXRFRFSA-VAWYXSNFSA-N 1 3 366.465 2.740 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001092774505 1003567206 /nfs/dbraw/zinc/56/72/06/1003567206.db2.gz QDJXYSVXTOLSBJ-SJLPKXTDSA-N 1 3 359.489 2.638 20 0 FFADHO C[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782235 1003576326 /nfs/dbraw/zinc/57/63/26/1003576326.db2.gz INMDXVMKHKWTJH-TZMCWYRMSA-N 1 3 367.280 2.951 20 0 FFADHO C[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001092782235 1003576331 /nfs/dbraw/zinc/57/63/31/1003576331.db2.gz INMDXVMKHKWTJH-TZMCWYRMSA-N 1 3 367.280 2.951 20 0 FFADHO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001092782235 1003576339 /nfs/dbraw/zinc/57/63/39/1003576339.db2.gz INMDXVMKHKWTJH-TZMCWYRMSA-N 1 3 367.280 2.951 20 0 FFADHO CN(C)c1ccncc1NC(=O)c1cccc(CN2CCC[N@H+](C)CC2)c1 ZINC001197495501 1004255060 /nfs/dbraw/zinc/25/50/60/1004255060.db2.gz JXKMZJUHYHVUIS-UHFFFAOYSA-N 1 3 367.497 2.537 20 0 FFADHO CN(C)c1ccncc1NC(=O)c1cccc(CN2CCC[N@@H+](C)CC2)c1 ZINC001197495501 1004255067 /nfs/dbraw/zinc/25/50/67/1004255067.db2.gz JXKMZJUHYHVUIS-UHFFFAOYSA-N 1 3 367.497 2.537 20 0 FFADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997921 1004867883 /nfs/dbraw/zinc/86/78/83/1004867883.db2.gz UUVDUZZCHHUQLR-BGEOSOQGSA-N 1 3 365.562 2.549 20 0 FFADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997921 1004867889 /nfs/dbraw/zinc/86/78/89/1004867889.db2.gz UUVDUZZCHHUQLR-BGEOSOQGSA-N 1 3 365.562 2.549 20 0 FFADHO COC(=O)CCC[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001202219707 1005322153 /nfs/dbraw/zinc/32/21/53/1005322153.db2.gz LZXZQRMMEUFGLE-IBGZPJMESA-N 1 3 360.498 2.695 20 0 FFADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)C1)N(C)C ZINC001488918598 1005380446 /nfs/dbraw/zinc/38/04/46/1005380446.db2.gz TZZNGAWHFAOUCV-QXAKKESOSA-N 1 3 361.530 2.718 20 0 FFADHO C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](CNCc2ccns2)C1 ZINC001489051684 1005406674 /nfs/dbraw/zinc/40/66/74/1005406674.db2.gz AOSJQAFKPSUXHH-CVEARBPZSA-N 1 3 352.548 2.592 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2cnccc2C)C2CC2)CC[N@@H+]1C ZINC001490371975 1005701079 /nfs/dbraw/zinc/70/10/79/1005701079.db2.gz GWLDYVRWXRLQST-VQTJNVASSA-N 1 3 358.530 2.591 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2cnccc2C)C2CC2)CC[N@H+]1C ZINC001490371975 1005701080 /nfs/dbraw/zinc/70/10/80/1005701080.db2.gz GWLDYVRWXRLQST-VQTJNVASSA-N 1 3 358.530 2.591 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1 ZINC001110616749 1005764491 /nfs/dbraw/zinc/76/44/91/1005764491.db2.gz PLYYVLDOTXJPPN-HCXYKTFWSA-N 1 3 353.526 2.968 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110616749 1005764492 /nfs/dbraw/zinc/76/44/92/1005764492.db2.gz PLYYVLDOTXJPPN-HCXYKTFWSA-N 1 3 353.526 2.968 20 0 FFADHO COC(=O)/C=C\c1ccc(OCC[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000852105435 1005941626 /nfs/dbraw/zinc/94/16/26/1005941626.db2.gz JVMZBPKEIZSUHA-AVKJRPAMSA-N 1 3 358.482 2.669 20 0 FFADHO COC(=O)/C=C\c1ccc(OCC[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000852105435 1005941627 /nfs/dbraw/zinc/94/16/27/1005941627.db2.gz JVMZBPKEIZSUHA-AVKJRPAMSA-N 1 3 358.482 2.669 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000813824636 1006045252 /nfs/dbraw/zinc/04/52/52/1006045252.db2.gz ZTUYYOWIQWHCGE-BLIXFSHQSA-N 1 3 361.505 2.978 20 0 FFADHO C[C@@H]1[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCN1Cc1ccccc1 ZINC000813824636 1006045264 /nfs/dbraw/zinc/04/52/64/1006045264.db2.gz ZTUYYOWIQWHCGE-BLIXFSHQSA-N 1 3 361.505 2.978 20 0 FFADHO C[NH+]1CCC(CN2CCN([C@H]3CCc4cc(F)cc(F)c4C3)CC2)CC1 ZINC001170715700 1006076257 /nfs/dbraw/zinc/07/62/57/1006076257.db2.gz MUGQWKINBCQCFW-IBGZPJMESA-N 1 3 363.496 2.782 20 0 FFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)c3cccc(OC)c3)C[C@H]21 ZINC001189668259 1007200109 /nfs/dbraw/zinc/20/01/09/1007200109.db2.gz LPSQZUXTJRSFKT-IMFGXOCKSA-N 1 3 359.514 2.631 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)c3cccc(OC)c3)C[C@H]21 ZINC001189668259 1007200114 /nfs/dbraw/zinc/20/01/14/1007200114.db2.gz LPSQZUXTJRSFKT-IMFGXOCKSA-N 1 3 359.514 2.631 20 0 FFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)COC1CC[NH+](C)CC1 ZINC001152752130 1032227027 /nfs/dbraw/zinc/22/70/27/1032227027.db2.gz IZGYTDCZCGYKPV-HXUWFJFHSA-N 1 3 373.541 2.610 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)OCc3ccccc3)CC2)CC1 ZINC000817285302 1007509934 /nfs/dbraw/zinc/50/99/34/1007509934.db2.gz INPUOJLAISVKRV-UHFFFAOYSA-N 1 3 373.541 2.612 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCC(=O)OCc3ccccc3)CC2)CC1 ZINC000817285302 1007509941 /nfs/dbraw/zinc/50/99/41/1007509941.db2.gz INPUOJLAISVKRV-UHFFFAOYSA-N 1 3 373.541 2.612 20 0 FFADHO [NH3+]CCCCN1CCN([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170870096 1007609095 /nfs/dbraw/zinc/60/90/95/1007609095.db2.gz VLOXSZXUEPNTTI-SFHVURJKSA-N 1 3 366.347 2.663 20 0 FFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1)C(C)C ZINC000885866597 1007809361 /nfs/dbraw/zinc/80/93/61/1007809361.db2.gz ZOWGSNWQJMUYJP-NRFANRHFSA-N 1 3 373.541 2.900 20 0 FFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1)C(C)C ZINC000885866597 1007809368 /nfs/dbraw/zinc/80/93/68/1007809368.db2.gz ZOWGSNWQJMUYJP-NRFANRHFSA-N 1 3 373.541 2.900 20 0 FFADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(CC[NH3+])cc1 ZINC000817949966 1007822737 /nfs/dbraw/zinc/82/27/37/1007822737.db2.gz VAQQLVZQJSURQT-QFIPXVFZSA-N 1 3 353.510 2.659 20 0 FFADHO CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886604812 1008767602 /nfs/dbraw/zinc/76/76/02/1008767602.db2.gz CWBZROQPQIZDJD-MLNNCEHLSA-N 1 3 355.526 2.888 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000886971319 1008968419 /nfs/dbraw/zinc/96/84/19/1008968419.db2.gz TXMLSWRYKHQXJS-IBGZPJMESA-N 1 3 372.513 2.830 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000886972688 1008970666 /nfs/dbraw/zinc/97/06/66/1008970666.db2.gz OSIFPKAHOFVZFD-UHFFFAOYSA-N 1 3 358.486 2.651 20 0 FFADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000887134827 1009045704 /nfs/dbraw/zinc/04/57/04/1009045704.db2.gz QQIDQJLHJHVACT-KRWDZBQOSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000887134827 1009045716 /nfs/dbraw/zinc/04/57/16/1009045716.db2.gz QQIDQJLHJHVACT-KRWDZBQOSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000887134827 1009045731 /nfs/dbraw/zinc/04/57/31/1009045731.db2.gz QQIDQJLHJHVACT-KRWDZBQOSA-N 1 3 358.530 2.877 20 0 FFADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(OCC(=O)N(C)C)c1 ZINC000126419198 1009227997 /nfs/dbraw/zinc/22/79/97/1009227997.db2.gz CQCZTOZQMJHLJG-BPIHKTFHSA-N 1 3 359.514 2.820 20 0 FFADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(OCC(=O)N(C)C)c1 ZINC000126419198 1009228013 /nfs/dbraw/zinc/22/80/13/1009228013.db2.gz CQCZTOZQMJHLJG-BPIHKTFHSA-N 1 3 359.514 2.820 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001274041621 1009306160 /nfs/dbraw/zinc/30/61/60/1009306160.db2.gz IKTDBBZPJAOCEL-OAQYLSRUSA-N 1 3 360.546 2.951 20 0 FFADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000887617194 1009391442 /nfs/dbraw/zinc/39/14/42/1009391442.db2.gz QJHKTRWHILYBKI-HXUWFJFHSA-N 1 3 372.557 2.819 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccccc4F)CC3)CC2)CC1 ZINC000134725832 1009487262 /nfs/dbraw/zinc/48/72/62/1009487262.db2.gz AFQMAQLQNFMSPJ-UHFFFAOYSA-N 1 3 359.489 2.532 20 0 FFADHO C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)C2)C1 ZINC001274172271 1009560100 /nfs/dbraw/zinc/56/01/00/1009560100.db2.gz INMRETDXSFRUJF-KRWDZBQOSA-N 1 3 361.917 2.716 20 0 FFADHO C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)C2)C1 ZINC001274172271 1009560114 /nfs/dbraw/zinc/56/01/14/1009560114.db2.gz INMRETDXSFRUJF-KRWDZBQOSA-N 1 3 361.917 2.716 20 0 FFADHO Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)n1C ZINC001206793139 1032430560 /nfs/dbraw/zinc/43/05/60/1032430560.db2.gz NININGMUERQEMB-IOMROCGXSA-N 1 3 353.514 2.856 20 0 FFADHO Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)n1C ZINC001206793139 1032430564 /nfs/dbraw/zinc/43/05/64/1032430564.db2.gz NININGMUERQEMB-IOMROCGXSA-N 1 3 353.514 2.856 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1 ZINC001095404798 1010451029 /nfs/dbraw/zinc/45/10/29/1010451029.db2.gz AHFYIWJHAVQWRC-XGXHKWSGSA-N 1 3 361.555 2.885 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1 ZINC001095404798 1010451042 /nfs/dbraw/zinc/45/10/42/1010451042.db2.gz AHFYIWJHAVQWRC-XGXHKWSGSA-N 1 3 361.555 2.885 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)NCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC001182238674 1010461725 /nfs/dbraw/zinc/46/17/25/1010461725.db2.gz YUWUMBQHNBAVFT-OAQYLSRUSA-N 1 3 374.573 2.603 20 0 FFADHO CCCCN(CC)[C@@H](C(=O)NCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001182238674 1010461732 /nfs/dbraw/zinc/46/17/32/1010461732.db2.gz YUWUMBQHNBAVFT-OAQYLSRUSA-N 1 3 374.573 2.603 20 0 FFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001093820202 1010592673 /nfs/dbraw/zinc/59/26/73/1010592673.db2.gz FQCZJINDPFLUPF-UYAOXDASSA-N 1 3 357.542 2.972 20 0 FFADHO COCC[C@@H](CNC1CC[NH+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000865483210 1010796253 /nfs/dbraw/zinc/79/62/53/1010796253.db2.gz GMZZOFVGWMSDEH-KRWDZBQOSA-N 1 3 369.550 2.913 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001094040170 1010802424 /nfs/dbraw/zinc/80/24/24/1010802424.db2.gz DEXOPOPRELWSCU-MBOZVWFJSA-N 1 3 361.505 2.825 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001094043902 1010806488 /nfs/dbraw/zinc/80/64/88/1010806488.db2.gz BURVOYJYTUMXNF-IEBWSBKVSA-N 1 3 361.574 2.983 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@H](C)C1)N(C)C ZINC001094049312 1010808528 /nfs/dbraw/zinc/80/85/28/1010808528.db2.gz QXGZOYMTVHHKCV-SUMDDJOVSA-N 1 3 357.498 2.957 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cnc(C)o2)CC3)CC[N@@H+]1C ZINC001094421547 1011104840 /nfs/dbraw/zinc/10/48/40/1011104840.db2.gz ZWPJJDVWOBASLS-QEUVDIPISA-N 1 3 374.529 2.574 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2N(Cc2cnc(C)o2)CC3)CC[N@H+]1C ZINC001094421547 1011104846 /nfs/dbraw/zinc/10/48/46/1011104846.db2.gz ZWPJJDVWOBASLS-QEUVDIPISA-N 1 3 374.529 2.574 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000645183599 1011375689 /nfs/dbraw/zinc/37/56/89/1011375689.db2.gz HGCYYCYOWWPZKA-NQIIRXRSSA-N 1 3 369.534 2.933 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645259170 1011406480 /nfs/dbraw/zinc/40/64/80/1011406480.db2.gz NMCACKUYKPJXGX-RTWAWAEBSA-N 1 3 372.557 2.677 20 0 FFADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000645259170 1011406489 /nfs/dbraw/zinc/40/64/89/1011406489.db2.gz NMCACKUYKPJXGX-RTWAWAEBSA-N 1 3 372.557 2.677 20 0 FFADHO CCCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645382894 1011462598 /nfs/dbraw/zinc/46/25/98/1011462598.db2.gz SNFKDNUPWZWFNQ-FXAWDEMLSA-N 1 3 373.545 2.733 20 0 FFADHO CCCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645382894 1011462605 /nfs/dbraw/zinc/46/26/05/1011462605.db2.gz SNFKDNUPWZWFNQ-FXAWDEMLSA-N 1 3 373.545 2.733 20 0 FFADHO COC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000645490685 1011502083 /nfs/dbraw/zinc/50/20/83/1011502083.db2.gz LWVZYKPNFBRSTM-LEWJYISDSA-N 1 3 358.526 2.930 20 0 FFADHO CC1(C)C[C@@H]([NH2+]C2CN(c3cnccn3)C2)CCN1Cc1ccccc1 ZINC001171974109 1011573145 /nfs/dbraw/zinc/57/31/45/1011573145.db2.gz AHDVZTFWVYKSOB-SFHVURJKSA-N 1 3 351.498 2.698 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172101525 1011637922 /nfs/dbraw/zinc/63/79/22/1011637922.db2.gz ZEXOUONZKILFBW-RCJHGTSTSA-N 1 3 355.498 2.940 20 0 FFADHO CCOC(=O)c1ncn2c1cccc2C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172114656 1011645397 /nfs/dbraw/zinc/64/53/97/1011645397.db2.gz RVJCNXVPRFAGFI-MUJYYYPQSA-N 1 3 356.470 2.616 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C[C@H](c4cncnc4)CO3)CC1)C2 ZINC001172118808 1011652709 /nfs/dbraw/zinc/65/27/09/1011652709.db2.gz QMUJUNNHDWQMKP-IJXRJRJASA-N 1 3 356.514 2.830 20 0 FFADHO COCCC[NH+]1CCC(N[C@H]2CSc3c(cccc3OC)C2)CC1 ZINC001172249211 1011721347 /nfs/dbraw/zinc/72/13/47/1011721347.db2.gz ILMSHDZLVFEXIK-QGZVFWFLSA-N 1 3 350.528 2.803 20 0 FFADHO COCCC[NH+]1CCC(N2CCC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001172256219 1011733567 /nfs/dbraw/zinc/73/35/67/1011733567.db2.gz SNBQWWAZRZCKSS-KRWDZBQOSA-N 1 3 369.550 2.867 20 0 FFADHO CCC[NH+](CCC)CCCN1CCN([C@@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172630076 1011904791 /nfs/dbraw/zinc/90/47/91/1011904791.db2.gz CERQKNAEBSFGQS-VQTJNVASSA-N 1 3 367.578 2.848 20 0 FFADHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000647344553 1012445823 /nfs/dbraw/zinc/44/58/23/1012445823.db2.gz UCHMFUYVQIQVTH-SCWSEQNSSA-N 1 3 362.481 2.658 20 0 FFADHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000647344553 1012445831 /nfs/dbraw/zinc/44/58/31/1012445831.db2.gz UCHMFUYVQIQVTH-SCWSEQNSSA-N 1 3 362.481 2.658 20 0 FFADHO CC[N@@H+]1CC[C@H](N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001173359289 1012490819 /nfs/dbraw/zinc/49/08/19/1012490819.db2.gz DMLGAEAMJRHCHR-ZWKOTPCHSA-N 1 3 363.571 2.898 20 0 FFADHO CC[N@H+]1CC[C@H](N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)C1 ZINC001173359289 1012490825 /nfs/dbraw/zinc/49/08/25/1012490825.db2.gz DMLGAEAMJRHCHR-ZWKOTPCHSA-N 1 3 363.571 2.898 20 0 FFADHO C[NH+](C)CC(C)(C)CN1CCC2(CCC(=O)N(CC(F)(F)F)C2)CC1 ZINC001275507683 1012561269 /nfs/dbraw/zinc/56/12/69/1012561269.db2.gz GYQYDXFRPHZZTN-UHFFFAOYSA-N 1 3 363.468 2.841 20 0 FFADHO CN(C)CCN1CCC2(CC[NH+](CC3CCC(F)(F)CC3)CC2)C1=O ZINC001275536332 1012588313 /nfs/dbraw/zinc/58/83/13/1012588313.db2.gz KAIGDKJEIXQKFY-UHFFFAOYSA-N 1 3 357.489 2.688 20 0 FFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3cc(F)ccc3F)CC2)C1=O ZINC001275661652 1012789581 /nfs/dbraw/zinc/78/95/81/1012789581.db2.gz FJENZNGELJWVBS-FQEVSTJZSA-N 1 3 365.468 2.731 20 0 FFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173772416 1012973316 /nfs/dbraw/zinc/97/33/16/1012973316.db2.gz XXNYROGQNWFBTK-PMACEKPBSA-N 1 3 372.492 2.892 20 0 FFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173772416 1012973332 /nfs/dbraw/zinc/97/33/32/1012973332.db2.gz XXNYROGQNWFBTK-PMACEKPBSA-N 1 3 372.492 2.892 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCc1cccc(Cl)c1 ZINC001275762564 1012974669 /nfs/dbraw/zinc/97/46/69/1012974669.db2.gz ZKFVTIFRPJSWAQ-RTBURBONSA-N 1 3 363.933 2.900 20 0 FFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCc1cccc(Cl)c1 ZINC001275762564 1012974685 /nfs/dbraw/zinc/97/46/85/1012974685.db2.gz ZKFVTIFRPJSWAQ-RTBURBONSA-N 1 3 363.933 2.900 20 0 FFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001275777276 1012998356 /nfs/dbraw/zinc/99/83/56/1012998356.db2.gz KDSGVHPPSCFVTK-MVCQKVDPSA-N 1 3 359.489 2.779 20 0 FFADHO CCc1nccn1[C@H](C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000648733527 1013037090 /nfs/dbraw/zinc/03/70/90/1013037090.db2.gz YCQKVVUNHNFCRZ-QGZVFWFLSA-N 1 3 369.513 2.783 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3c(Cl)cncc3Cl)CC2)CC1 ZINC001137611667 1032690715 /nfs/dbraw/zinc/69/07/15/1032690715.db2.gz GWPXHYPHFVMMFE-UHFFFAOYSA-N 1 3 357.329 2.848 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@@H]21 ZINC000827330261 1017633603 /nfs/dbraw/zinc/63/36/03/1017633603.db2.gz LIUMUFVHADDQGI-GGPKGHCWSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@@H]21 ZINC000827330261 1017633609 /nfs/dbraw/zinc/63/36/09/1017633609.db2.gz LIUMUFVHADDQGI-GGPKGHCWSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1[C@H]([NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)CCN1Cc1ccccc1 ZINC000925558553 1017785842 /nfs/dbraw/zinc/78/58/42/1017785842.db2.gz SXLUMTQWHFRINE-HLRQEUIKSA-N 1 3 357.542 2.617 20 0 FFADHO Cc1ccc(OC(F)F)c([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925853669 1017874870 /nfs/dbraw/zinc/87/48/70/1017874870.db2.gz KAUHQHMPOWGXSU-KGLIPLIRSA-N 1 3 368.424 2.932 20 0 FFADHO CN1CCN(CC[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CC1(C)C ZINC000926357351 1018091621 /nfs/dbraw/zinc/09/16/21/1018091621.db2.gz ONDZQHLPXNKEFZ-JOCHJYFZSA-N 1 3 366.553 2.851 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H](C)c3cccc4c3OCO4)C2)[C@@H]1C(C)C ZINC000926877170 1018278439 /nfs/dbraw/zinc/27/84/39/1018278439.db2.gz AITDSDYZGAQLFB-WOUGYZGKSA-N 1 3 360.498 2.936 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](N[C@H](C)c3cccc4c3OCO4)C2)[C@@H]1C(C)C ZINC000926877170 1018278457 /nfs/dbraw/zinc/27/84/57/1018278457.db2.gz AITDSDYZGAQLFB-WOUGYZGKSA-N 1 3 360.498 2.936 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CNC(=O)C2)cc1CN1CCCCC1 ZINC000926984086 1018312208 /nfs/dbraw/zinc/31/22/08/1018312208.db2.gz ZMEKCHRPYPVDQD-IAGOWNOFSA-N 1 3 359.514 2.858 20 0 FFADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)cc1CN1CCCCC1 ZINC000926984088 1018312394 /nfs/dbraw/zinc/31/23/94/1018312394.db2.gz ZMEKCHRPYPVDQD-SJORKVTESA-N 1 3 359.514 2.858 20 0 FFADHO Clc1ccc(-c2ccc(CN3CCNC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001222104799 1032762040 /nfs/dbraw/zinc/76/20/40/1032762040.db2.gz LGZVFWQSUOEXQE-UHFFFAOYSA-N 1 3 356.901 2.929 20 0 FFADHO COC(=O)NC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000827929185 1019014570 /nfs/dbraw/zinc/01/45/70/1019014570.db2.gz HCQQGWRYSXYFBN-UHFFFAOYSA-N 1 3 374.529 2.537 20 0 FFADHO CCN(CC)C(=O)c1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1F ZINC001222172883 1032803532 /nfs/dbraw/zinc/80/35/32/1032803532.db2.gz MVHYKJPCFBPUGB-UHFFFAOYSA-N 1 3 356.445 2.779 20 0 FFADHO COc1ccccc1CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959542 1019254921 /nfs/dbraw/zinc/25/49/21/1019254921.db2.gz PUFWHFGDOYSSER-AQNXPRMDSA-N 1 3 373.541 2.691 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccccc2)CC1 ZINC001110976463 1019593289 /nfs/dbraw/zinc/59/32/89/1019593289.db2.gz MQSHHAYRZKNYEL-NRSPTQNISA-N 1 3 371.525 2.519 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)C1 ZINC001096015384 1019899412 /nfs/dbraw/zinc/89/94/12/1019899412.db2.gz DMWSSIRZRAKQPH-NHAYFPRASA-N 1 3 351.510 2.721 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CC2)C1 ZINC001096015384 1019899428 /nfs/dbraw/zinc/89/94/28/1019899428.db2.gz DMWSSIRZRAKQPH-NHAYFPRASA-N 1 3 351.510 2.721 20 0 FFADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000902350593 1020120497 /nfs/dbraw/zinc/12/04/97/1020120497.db2.gz UJEGBUIOVOEQQW-QAPCUYQASA-N 1 3 359.514 2.773 20 0 FFADHO C[C@H](NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902894726 1020552563 /nfs/dbraw/zinc/55/25/63/1020552563.db2.gz OFUUIEWHYPZHLD-KSZLIROESA-N 1 3 371.529 2.675 20 0 FFADHO C[C@H](NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cn(C)nn1 ZINC000902894726 1020552575 /nfs/dbraw/zinc/55/25/75/1020552575.db2.gz OFUUIEWHYPZHLD-KSZLIROESA-N 1 3 371.529 2.675 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccnc(Cl)c3)[C@@H]2C)CC[N@@H+]1C ZINC001074663487 1020663496 /nfs/dbraw/zinc/66/34/96/1020663496.db2.gz XDXCBETYIJPLDN-QSPRXWTASA-N 1 3 364.921 2.544 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccnc(Cl)c3)[C@@H]2C)CC[N@H+]1C ZINC001074663487 1020663499 /nfs/dbraw/zinc/66/34/99/1020663499.db2.gz XDXCBETYIJPLDN-QSPRXWTASA-N 1 3 364.921 2.544 20 0 FFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)c1 ZINC001098223462 1020744805 /nfs/dbraw/zinc/74/48/05/1020744805.db2.gz MJCXYBQCUZQTCN-AQNXPRMDSA-N 1 3 353.510 2.566 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCCO1 ZINC001098464304 1020933251 /nfs/dbraw/zinc/93/32/51/1020933251.db2.gz VXKRAOVACFPMOU-UKAVVXHISA-N 1 3 371.525 2.652 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCCO1 ZINC001098464304 1020933256 /nfs/dbraw/zinc/93/32/56/1020933256.db2.gz VXKRAOVACFPMOU-UKAVVXHISA-N 1 3 371.525 2.652 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCF)C3)C1 ZINC001099030031 1021633796 /nfs/dbraw/zinc/63/37/96/1021633796.db2.gz UJWAYBQGSSOYLQ-IPELMVKDSA-N 1 3 357.489 2.529 20 0 FFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCF)C3)C1 ZINC001099030031 1021633801 /nfs/dbraw/zinc/63/38/01/1021633801.db2.gz UJWAYBQGSSOYLQ-IPELMVKDSA-N 1 3 357.489 2.529 20 0 FFADHO C[C@H]1CCC[N@H+](CCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145593840 1021691258 /nfs/dbraw/zinc/69/12/58/1021691258.db2.gz WAWXKNHQAMAVNT-SFHVURJKSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@H]1CCC[N@@H+](CCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145593840 1021691263 /nfs/dbraw/zinc/69/12/63/1021691263.db2.gz WAWXKNHQAMAVNT-SFHVURJKSA-N 1 3 374.598 2.847 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001099118995 1021856661 /nfs/dbraw/zinc/85/66/61/1021856661.db2.gz GZXMWZRSIRKSAK-DXIQSLLYSA-N 1 3 371.525 2.508 20 0 FFADHO COc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001099118995 1021856667 /nfs/dbraw/zinc/85/66/67/1021856667.db2.gz GZXMWZRSIRKSAK-DXIQSLLYSA-N 1 3 371.525 2.508 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001099268706 1022196899 /nfs/dbraw/zinc/19/68/99/1022196899.db2.gz LBBUSOIFYCAZFE-RBSFLKMASA-N 1 3 363.468 2.742 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccn2)C1 ZINC001099434654 1022520626 /nfs/dbraw/zinc/52/06/26/1022520626.db2.gz YZHLQSYCOADSPT-VCOUNFBDSA-N 1 3 370.541 2.673 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCc1cc(N)ccn1 ZINC001119321570 1022683069 /nfs/dbraw/zinc/68/30/69/1022683069.db2.gz IOBZJYIADVHGFA-MRXNPFEDSA-N 1 3 368.481 2.847 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1cc(N)ccn1 ZINC001119321570 1022683078 /nfs/dbraw/zinc/68/30/78/1022683078.db2.gz IOBZJYIADVHGFA-MRXNPFEDSA-N 1 3 368.481 2.847 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CC1 ZINC000753114647 1023272076 /nfs/dbraw/zinc/27/20/76/1023272076.db2.gz LWVIRWGZXCQAKI-UHFFFAOYSA-N 1 3 373.541 2.875 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=S)NC2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000753670064 1023367041 /nfs/dbraw/zinc/36/70/41/1023367041.db2.gz ASVYKMZYAOZTIY-MJGOQNOKSA-N 1 3 374.598 2.845 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=S)NC2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000753670064 1023367049 /nfs/dbraw/zinc/36/70/49/1023367049.db2.gz ASVYKMZYAOZTIY-MJGOQNOKSA-N 1 3 374.598 2.845 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCOC(C)C)[C@H]2C1 ZINC001222818027 1033166653 /nfs/dbraw/zinc/16/66/53/1033166653.db2.gz SGFYBXLXTWNPTE-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCOC(C)C)[C@H]2C1 ZINC001222818027 1033166659 /nfs/dbraw/zinc/16/66/59/1033166659.db2.gz SGFYBXLXTWNPTE-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCCCOC)[C@H]2C1 ZINC001222817124 1033166782 /nfs/dbraw/zinc/16/67/82/1033166782.db2.gz IZXUXNSRZSYZCD-AABGKKOBSA-N 1 3 365.562 2.600 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCCCOC)[C@H]2C1 ZINC001222817124 1033166791 /nfs/dbraw/zinc/16/67/91/1033166791.db2.gz IZXUXNSRZSYZCD-AABGKKOBSA-N 1 3 365.562 2.600 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)[C@@H](C1CC1)N1CCCC1 ZINC001095812218 1023954343 /nfs/dbraw/zinc/95/43/43/1023954343.db2.gz GVTHCJPSZIVJKM-CLAROIROSA-N 1 3 367.537 2.825 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)[C@@H](C1CC1)N1CCCC1 ZINC001095812218 1023954348 /nfs/dbraw/zinc/95/43/48/1023954348.db2.gz GVTHCJPSZIVJKM-CLAROIROSA-N 1 3 367.537 2.825 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001095812218 1023954354 /nfs/dbraw/zinc/95/43/54/1023954354.db2.gz GVTHCJPSZIVJKM-CLAROIROSA-N 1 3 367.537 2.825 20 0 FFADHO [NH3+][C@H]1CCCn2nc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)cc21 ZINC001121904031 1024154743 /nfs/dbraw/zinc/15/47/43/1024154743.db2.gz POQREUCOKCMHMT-PKOBYXMFSA-N 1 3 367.497 2.634 20 0 FFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc2c1OCCNC2 ZINC001121916370 1024167221 /nfs/dbraw/zinc/16/72/21/1024167221.db2.gz WYASVZQOUBNAGR-UHFFFAOYSA-N 1 3 357.498 2.553 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001102015626 1025301059 /nfs/dbraw/zinc/30/10/59/1025301059.db2.gz MLNJJPXZOVUWQH-SUMDDJOVSA-N 1 3 367.484 2.690 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001102015626 1025301068 /nfs/dbraw/zinc/30/10/68/1025301068.db2.gz MLNJJPXZOVUWQH-SUMDDJOVSA-N 1 3 367.484 2.690 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047725 1025353214 /nfs/dbraw/zinc/35/32/14/1025353214.db2.gz RHMHYOVGHIYMFQ-CDHQVMDDSA-N 1 3 361.505 2.680 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1CNC(=O)[C@@H](C1CC1)N(C)C ZINC001102047725 1025353229 /nfs/dbraw/zinc/35/32/29/1025353229.db2.gz RHMHYOVGHIYMFQ-CDHQVMDDSA-N 1 3 361.505 2.680 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048496 1025356597 /nfs/dbraw/zinc/35/65/97/1025356597.db2.gz DZUJXAKKSZARRH-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)N(C)C)[C@H](C)C1 ZINC001102048496 1025356615 /nfs/dbraw/zinc/35/66/15/1025356615.db2.gz DZUJXAKKSZARRH-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2C)C[C@H]1C)N(C)C ZINC001102088553 1025412192 /nfs/dbraw/zinc/41/21/92/1025412192.db2.gz ZTEYSEKENTXQRF-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1C)N(C)C ZINC001102088553 1025412202 /nfs/dbraw/zinc/41/22/02/1025412202.db2.gz ZTEYSEKENTXQRF-HMXCVIKNSA-N 1 3 359.558 2.952 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000637720350 1025546311 /nfs/dbraw/zinc/54/63/11/1025546311.db2.gz VHTIPKRVBMZDAF-YSIASYRMSA-N 1 3 358.530 2.693 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000637720350 1025546318 /nfs/dbraw/zinc/54/63/18/1025546318.db2.gz VHTIPKRVBMZDAF-YSIASYRMSA-N 1 3 358.530 2.693 20 0 FFADHO CCc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1 ZINC001102370020 1025823231 /nfs/dbraw/zinc/82/32/31/1025823231.db2.gz ODWFRBDWKAGMQA-NNMXDRDESA-N 1 3 371.569 2.817 20 0 FFADHO CCc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)cc1 ZINC001102370020 1025823247 /nfs/dbraw/zinc/82/32/47/1025823247.db2.gz ODWFRBDWKAGMQA-NNMXDRDESA-N 1 3 371.569 2.817 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC001102368312 1025823458 /nfs/dbraw/zinc/82/34/58/1025823458.db2.gz PNDCZFILOHASOT-SFHLNBCPSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C ZINC001102368312 1025823474 /nfs/dbraw/zinc/82/34/74/1025823474.db2.gz PNDCZFILOHASOT-SFHLNBCPSA-N 1 3 357.542 2.788 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CN(Cc2conc2C)C[C@H]1C)C(C)C ZINC001102472370 1026041831 /nfs/dbraw/zinc/04/18/31/1026041831.db2.gz YOLIFJWJRDEJDW-SZVBFZGTSA-N 1 3 364.534 2.534 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CN(Cc2cc(C)no2)C[C@H]1C)C(C)C ZINC001102472661 1026043677 /nfs/dbraw/zinc/04/36/77/1026043677.db2.gz ONIPHPCSQFAFFZ-SZVBFZGTSA-N 1 3 364.534 2.534 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639025423 1026137076 /nfs/dbraw/zinc/13/70/76/1026137076.db2.gz RTVGNJZVDJIQLM-GGPKGHCWSA-N 1 3 359.489 2.638 20 0 FFADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029745 1026138858 /nfs/dbraw/zinc/13/88/58/1026138858.db2.gz LKLUOQYZFREIDJ-ZJOUEHCJSA-N 1 3 367.493 2.522 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1C ZINC001102524972 1026216216 /nfs/dbraw/zinc/21/62/16/1026216216.db2.gz GKBCMSLEICRINU-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C ZINC001102524972 1026216226 /nfs/dbraw/zinc/21/62/26/1026216226.db2.gz GKBCMSLEICRINU-NVXWUHKLSA-N 1 3 351.922 2.866 20 0 FFADHO CO[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)[C@H]1CCOC1 ZINC000639330027 1026280392 /nfs/dbraw/zinc/28/03/92/1026280392.db2.gz QEJOGAONSSLGER-PWRODBHTSA-N 1 3 358.526 2.930 20 0 FFADHO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(CN2C[C@@H]3[C@H](C2)C3(C)C)c1C ZINC001141573413 1026595557 /nfs/dbraw/zinc/59/55/57/1026595557.db2.gz YARFWJPKFPDHRC-CALCHBBNSA-N 1 3 360.546 2.791 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001103088035 1026949448 /nfs/dbraw/zinc/94/94/48/1026949448.db2.gz UJEUGXNPXAMMQB-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001103088035 1026949462 /nfs/dbraw/zinc/94/94/62/1026949462.db2.gz UJEUGXNPXAMMQB-QIJUGHKUSA-N 1 3 371.569 2.952 20 0 FFADHO CCCCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000840090914 1026953050 /nfs/dbraw/zinc/95/30/50/1026953050.db2.gz NYIGVCPNIFZWMY-IAGOWNOFSA-N 1 3 364.534 2.641 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1C ZINC001103157744 1027013176 /nfs/dbraw/zinc/01/31/76/1027013176.db2.gz AJDUERNGUQNBAB-QZTJIDSGSA-N 1 3 355.567 2.606 20 0 FFADHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1C ZINC001103157744 1027013183 /nfs/dbraw/zinc/01/31/83/1027013183.db2.gz AJDUERNGUQNBAB-QZTJIDSGSA-N 1 3 355.567 2.606 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001103156826 1027013715 /nfs/dbraw/zinc/01/37/15/1027013715.db2.gz YHEQLGMAJGHTLI-DJIMGWMZSA-N 1 3 364.534 2.849 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC001103156826 1027013720 /nfs/dbraw/zinc/01/37/20/1027013720.db2.gz YHEQLGMAJGHTLI-DJIMGWMZSA-N 1 3 364.534 2.849 20 0 FFADHO CC1(C)C[NH2+][C@@](C)(C(=O)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001158565041 1027062384 /nfs/dbraw/zinc/06/23/84/1027062384.db2.gz RDOKTORNFCKLQJ-XQBPLPMBSA-N 1 3 355.526 2.888 20 0 FFADHO N[C@H](CCC[NH3+])NC(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001159788993 1027498664 /nfs/dbraw/zinc/49/86/64/1027498664.db2.gz PGSBNLAMVVAHIV-ZDUSSCGKSA-N 1 3 359.783 2.599 20 0 FFADHO c1cc(O[C@H]2CCC[NH2+]C2)ccc1NC1=CC[C@@H](N2CCOCC2)CC1 ZINC001159954284 1027544828 /nfs/dbraw/zinc/54/48/28/1027544828.db2.gz RZOLMFMEJOGVKM-CTNGQTDRSA-N 1 3 357.498 2.998 20 0 FFADHO Cc1cnccc1Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001159962429 1027546698 /nfs/dbraw/zinc/54/66/98/1027546698.db2.gz SRFNESXEWAKLAR-UHFFFAOYSA-N 1 3 350.388 2.980 20 0 FFADHO Cc1ccc(CN2CC=C(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001160175225 1027622364 /nfs/dbraw/zinc/62/23/64/1027622364.db2.gz HEMCMBJKKVHRDY-WIYYLYMNSA-N 1 3 370.541 2.677 20 0 FFADHO Cc1ccc(CN2CC=C(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)n1 ZINC001160175225 1027622368 /nfs/dbraw/zinc/62/23/68/1027622368.db2.gz HEMCMBJKKVHRDY-WIYYLYMNSA-N 1 3 370.541 2.677 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H](C)OC)C[C@H]1C ZINC001103542628 1027658054 /nfs/dbraw/zinc/65/80/54/1027658054.db2.gz PYDWNECEPYMQLY-CEXWTWQISA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1C ZINC001103542628 1027658062 /nfs/dbraw/zinc/65/80/62/1027658062.db2.gz PYDWNECEPYMQLY-CEXWTWQISA-N 1 3 355.567 2.608 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1C ZINC001103542480 1027659307 /nfs/dbraw/zinc/65/93/07/1027659307.db2.gz OHGGZMONVGWKEJ-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO CCCCCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1C ZINC001103542480 1027659312 /nfs/dbraw/zinc/65/93/12/1027659312.db2.gz OHGGZMONVGWKEJ-VAMGGRTRSA-N 1 3 367.578 2.609 20 0 FFADHO [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1Nc1ncc2c(n1)CCNC2 ZINC001160633687 1027780318 /nfs/dbraw/zinc/78/03/18/1027780318.db2.gz ZQWRACATYDUZAF-UJKMTWAASA-N 1 3 369.472 2.521 20 0 FFADHO N[C@H](C(=O)N1CCC(Cc2c(F)cccc2Cl)CC1)C1CC[NH2+]CC1 ZINC001160642773 1027782115 /nfs/dbraw/zinc/78/21/15/1027782115.db2.gz MRGMOWVKLBJITQ-SFHVURJKSA-N 1 3 367.896 2.587 20 0 FFADHO COc1ccc(CN2CCCC[C@H]2CN(C)C(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC001160958366 1027946772 /nfs/dbraw/zinc/94/67/72/1027946772.db2.gz VMKKFSXDBYAEPR-AZUAARDMSA-N 1 3 359.514 2.636 20 0 FFADHO CO[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1)C1CCCC1 ZINC001103755689 1028143436 /nfs/dbraw/zinc/14/34/36/1028143436.db2.gz NMTKRCUTTYERFA-RLLQIKCJSA-N 1 3 367.578 2.606 20 0 FFADHO CO[C@@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1)C1CCCC1 ZINC001103755689 1028143441 /nfs/dbraw/zinc/14/34/41/1028143441.db2.gz NMTKRCUTTYERFA-RLLQIKCJSA-N 1 3 367.578 2.606 20 0 FFADHO O=C(c1csc2c1CCNC2)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161598586 1028246792 /nfs/dbraw/zinc/24/67/92/1028246792.db2.gz DHOQEPQHUUEHDB-UHFFFAOYSA-N 1 3 353.491 2.629 20 0 FFADHO Cc1nc(NCC2(c3cccnc3)CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC001162033157 1028405775 /nfs/dbraw/zinc/40/57/75/1028405775.db2.gz KFXBKZBXXKDJNE-UHFFFAOYSA-N 1 3 352.486 2.514 20 0 FFADHO CCn1c(CCNC[C@@H](O)C[N@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000644530986 1028525558 /nfs/dbraw/zinc/52/55/58/1028525558.db2.gz NWUCMEFYISWOIY-LJQANCHMSA-N 1 3 366.509 2.681 20 0 FFADHO CCn1c(CCNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000644530986 1028525566 /nfs/dbraw/zinc/52/55/66/1028525566.db2.gz NWUCMEFYISWOIY-LJQANCHMSA-N 1 3 366.509 2.681 20 0 FFADHO C[C@H](N)c1nc2ccccc2n1-c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001155256232 1028645095 /nfs/dbraw/zinc/64/50/95/1028645095.db2.gz DIAXZMQNBSXDJR-AWEZNQCLSA-N 1 3 351.454 2.819 20 0 FFADHO [NH3+]CC1CN([C@H]2CCCN(c3nc(N4CCCC4)cc4ccccc43)C2)C1 ZINC001155384860 1028713354 /nfs/dbraw/zinc/71/33/54/1028713354.db2.gz WUQMLRAVCOANJZ-IBGZPJMESA-N 1 3 365.525 2.694 20 0 FFADHO COc1ccc(O[C@@H](C)CNc2cccc(N3CCC([NH3+])CC3)n2)cc1 ZINC001156080606 1029038701 /nfs/dbraw/zinc/03/87/01/1029038701.db2.gz NAPKSIJCZLOPLJ-HNNXBMFYSA-N 1 3 356.470 2.897 20 0 FFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc(CN(C)C3CC3)cn2)CC1 ZINC001165112285 1029400434 /nfs/dbraw/zinc/40/04/34/1029400434.db2.gz MUYMNMOZFOCRBG-FQEVSTJZSA-N 1 3 358.530 2.755 20 0 FFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc(CN(C)C3CC3)cn2)CC1 ZINC001165112285 1029400439 /nfs/dbraw/zinc/40/04/39/1029400439.db2.gz MUYMNMOZFOCRBG-FQEVSTJZSA-N 1 3 358.530 2.755 20 0 FFADHO CC(C)(C)c1cc2ncnc(N3CCC([N@@H+]4CC[C@@H](N)C4)CC3)c2s1 ZINC001158258681 1029775045 /nfs/dbraw/zinc/77/50/45/1029775045.db2.gz GLWPCMVTNDVWRS-CYBMUJFWSA-N 1 3 359.543 2.991 20 0 FFADHO CC(C)(C)c1cc2ncnc(N3CCC([N@H+]4CC[C@@H](N)C4)CC3)c2s1 ZINC001158258681 1029775049 /nfs/dbraw/zinc/77/50/49/1029775049.db2.gz GLWPCMVTNDVWRS-CYBMUJFWSA-N 1 3 359.543 2.991 20 0 FFADHO COc1ccnc(N(c2cc(Cl)nc3c2CCNC3)C2CC[NH2+]CC2)c1 ZINC001158322403 1029797633 /nfs/dbraw/zinc/79/76/33/1029797633.db2.gz CFURVUQQEFMATO-UHFFFAOYSA-N 1 3 373.888 2.674 20 0 FFADHO c1ccc(CN2CC(CNc3ccc4c([C@@H]5CCC[NH2+]5)nnn4c3)C2)cc1 ZINC001165454436 1029986881 /nfs/dbraw/zinc/98/68/81/1029986881.db2.gz NAPJIIFJZNYARW-IBGZPJMESA-N 1 3 362.481 2.698 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100390 1030005580 /nfs/dbraw/zinc/00/55/80/1030005580.db2.gz BCNNXHKLMLPALB-OAGGEKHMSA-N 1 3 361.452 2.804 20 0 FFADHO CC(C)=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001112100390 1030005589 /nfs/dbraw/zinc/00/55/89/1030005589.db2.gz BCNNXHKLMLPALB-OAGGEKHMSA-N 1 3 361.452 2.804 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C(F)(F)F ZINC001112114197 1030036047 /nfs/dbraw/zinc/03/60/47/1030036047.db2.gz DIYVISGQQRZMKH-BZUAXINKSA-N 1 3 363.468 2.742 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112159988 1030120481 /nfs/dbraw/zinc/12/04/81/1030120481.db2.gz LANUHLFKQYOCEY-JLCCIEBKSA-N 1 3 363.468 2.908 20 0 FFADHO CN(C(=O)Nc1cccc(OCC[NH3+])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000841285208 1030157324 /nfs/dbraw/zinc/15/73/24/1030157324.db2.gz PQBYVIVURHACHU-LJQANCHMSA-N 1 3 368.481 2.762 20 0 FFADHO CCN(C(C)=O)C1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204271892 1031198380 /nfs/dbraw/zinc/19/83/80/1031198380.db2.gz SUMCBEHCLPMQGY-UHFFFAOYSA-N 1 3 361.530 2.850 20 0 FFADHO C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2CNCc3ccccc32)n1 ZINC000843187810 1031231364 /nfs/dbraw/zinc/23/13/64/1031231364.db2.gz VBAYVBGQUKJFQQ-GOSISDBHSA-N 1 3 364.449 2.912 20 0 FFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC001205311999 1031662917 /nfs/dbraw/zinc/66/29/17/1031662917.db2.gz OKHXHZIJEKGNBP-IDYZSHNDSA-N 1 3 363.546 2.543 20 0 FFADHO CCN(CC)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CCCF)C1 ZINC001205318642 1031668182 /nfs/dbraw/zinc/66/81/82/1031668182.db2.gz KJNBXZYCHUAVHB-RBUKOAKNSA-N 1 3 367.484 2.801 20 0 FFADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178977 1031685134 /nfs/dbraw/zinc/68/51/34/1031685134.db2.gz VHHPSJVOXMFISR-LJQANCHMSA-N 1 3 373.541 2.686 20 0 FFADHO Cc1cc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n(C)n1 ZINC001205897149 1032055567 /nfs/dbraw/zinc/05/55/67/1032055567.db2.gz OMYMNDQTZCKXPG-OAQYLSRUSA-N 1 3 368.525 2.984 20 0 FFADHO Cc1cc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n(C)n1 ZINC001205897149 1032055582 /nfs/dbraw/zinc/05/55/82/1032055582.db2.gz OMYMNDQTZCKXPG-OAQYLSRUSA-N 1 3 368.525 2.984 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001223182068 1033324680 /nfs/dbraw/zinc/32/46/80/1033324680.db2.gz UPQRREDWWVOZCQ-HOJAQTOUSA-N 1 3 365.537 2.923 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001223182068 1033324690 /nfs/dbraw/zinc/32/46/90/1033324690.db2.gz UPQRREDWWVOZCQ-HOJAQTOUSA-N 1 3 365.537 2.923 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001223455435 1033451838 /nfs/dbraw/zinc/45/18/38/1033451838.db2.gz XHLIUVRJFJWETD-LEWJYISDSA-N 1 3 374.573 2.969 20 0 FFADHO CC[C@@H](C(=O)N1CC[C@H]2CCN(CCOCC(C)C)[C@H]2C1)[NH+](CC)CC ZINC001223489741 1033467803 /nfs/dbraw/zinc/46/78/03/1033467803.db2.gz VBGTWDWXDOVDHC-AABGKKOBSA-N 1 3 367.578 2.702 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219025697 1033476097 /nfs/dbraw/zinc/47/60/97/1033476097.db2.gz QLXIJTAOMLAFPP-OXQOHEQNSA-N 1 3 365.477 2.875 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219025697 1033476100 /nfs/dbraw/zinc/47/61/00/1033476100.db2.gz QLXIJTAOMLAFPP-OXQOHEQNSA-N 1 3 365.477 2.875 20 0 FFADHO O=C(Nc1cc(F)cc(OCc2ccccc2)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219076071 1033510063 /nfs/dbraw/zinc/51/00/63/1033510063.db2.gz CWBZVBBOEDZUKK-IIBYNOLFSA-N 1 3 369.440 2.542 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1)c1c[nH]cn1 ZINC001223911312 1033641975 /nfs/dbraw/zinc/64/19/75/1033641975.db2.gz DLPYXDHHTOGSOE-CVEARBPZSA-N 1 3 350.482 2.750 20 0 FFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1)c1c[nH]cn1 ZINC001223911312 1033641977 /nfs/dbraw/zinc/64/19/77/1033641977.db2.gz DLPYXDHHTOGSOE-CVEARBPZSA-N 1 3 350.482 2.750 20 0 FFADHO N[C@@H](CCCc1ccccc1)C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930996 1033893820 /nfs/dbraw/zinc/89/38/20/1033893820.db2.gz JKXYAGVRAFWESN-FQEVSTJZSA-N 1 3 366.509 2.515 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001220161240 1034013917 /nfs/dbraw/zinc/01/39/17/1034013917.db2.gz AVMSUMNVOXMNAO-BJLQDIEVSA-N 1 3 361.555 2.594 20 0 FFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001220220842 1034056124 /nfs/dbraw/zinc/05/61/24/1034056124.db2.gz HLRZYMGVPNSEBL-PMPSAXMXSA-N 1 3 357.420 2.564 20 0 FFADHO N[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001220248310 1034067866 /nfs/dbraw/zinc/06/78/66/1034067866.db2.gz QTISWVKSBBCKIO-OAQYLSRUSA-N 1 3 351.494 2.652 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC001220611955 1034286593 /nfs/dbraw/zinc/28/65/93/1034286593.db2.gz XTMDDIQRZGUBJP-NVXWUHKLSA-N 1 3 352.548 2.772 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC001220611955 1034286604 /nfs/dbraw/zinc/28/66/04/1034286604.db2.gz XTMDDIQRZGUBJP-NVXWUHKLSA-N 1 3 352.548 2.772 20 0 FFADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220789113 1034399188 /nfs/dbraw/zinc/39/91/88/1034399188.db2.gz JMBYSHIABGRULQ-JSXRDJHFSA-N 1 3 364.493 2.732 20 0 FFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC001220804549 1034406608 /nfs/dbraw/zinc/40/66/08/1034406608.db2.gz OMVLOBAHDKIAFK-OAGGEKHMSA-N 1 3 371.447 2.511 20 0 FFADHO O=C(N[C@H]1CC12CCC2)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001221015430 1034499877 /nfs/dbraw/zinc/49/98/77/1034499877.db2.gz HKZXPKSVEAYSIZ-XQBPLPMBSA-N 1 3 353.510 2.547 20 0 FFADHO O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1CCCN1CC1CC1 ZINC001221034923 1034514541 /nfs/dbraw/zinc/51/45/41/1034514541.db2.gz URERQYHXUWXLKY-VQTJNVASSA-N 1 3 359.489 2.857 20 0 FFADHO CN(C)[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)Cc1ccccc1 ZINC001221077070 1034537212 /nfs/dbraw/zinc/53/72/12/1034537212.db2.gz NFQWDEQTOMKTPU-FUHYEJFZSA-N 1 3 372.557 2.866 20 0 FFADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221124008 1034562684 /nfs/dbraw/zinc/56/26/84/1034562684.db2.gz SEVHOSSSABPBGT-VQTJNVASSA-N 1 3 364.493 2.660 20 0 FFADHO CC(C)(C)[PH+](CCCNC(=O)CN1CCCC[C@H](N)C1=O)C(C)(C)C ZINC001221272190 1034636388 /nfs/dbraw/zinc/63/63/88/1034636388.db2.gz YMFZLZCGDIKWKI-HNNXBMFYSA-N 1 3 371.506 2.911 20 0 FFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)c(C)n1 ZINC001226799478 1034845084 /nfs/dbraw/zinc/84/50/84/1034845084.db2.gz AHNMJIWZKCQBKF-AQNXPRMDSA-N 1 3 358.530 2.556 20 0 FFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1)C1CC1 ZINC001226800295 1034845905 /nfs/dbraw/zinc/84/59/05/1034845905.db2.gz JKMBNHRLKDHSHU-VAMGGRTRSA-N 1 3 365.562 2.550 20 0 FFADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001226800803 1034846917 /nfs/dbraw/zinc/84/69/17/1034846917.db2.gz OJBIYPPIBQEHBL-VAMGGRTRSA-N 1 3 359.514 2.552 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc4cccccc3-4)C2)C1=O ZINC001277157992 1034855467 /nfs/dbraw/zinc/85/54/67/1034855467.db2.gz CDGBWUAKCKYKBZ-QFIPXVFZSA-N 1 3 351.494 2.777 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc4cccccc3-4)C2)C1=O ZINC001277157992 1034855475 /nfs/dbraw/zinc/85/54/75/1034855475.db2.gz CDGBWUAKCKYKBZ-QFIPXVFZSA-N 1 3 351.494 2.777 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(COC)c1)N(C)C ZINC001227057146 1034921705 /nfs/dbraw/zinc/92/17/05/1034921705.db2.gz OTHAXSFEENIYNE-VAMGGRTRSA-N 1 3 361.530 2.690 20 0 FFADHO CC(C)OCCCN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221615977 1034921773 /nfs/dbraw/zinc/92/17/73/1034921773.db2.gz CRPZGHHJEMNWJY-VAMGGRTRSA-N 1 3 365.562 2.597 20 0 FFADHO CC(C)OCCCN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221615977 1034921780 /nfs/dbraw/zinc/92/17/80/1034921780.db2.gz CRPZGHHJEMNWJY-VAMGGRTRSA-N 1 3 365.562 2.597 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCc4ccccc43)C[C@H]21 ZINC001221657444 1034957783 /nfs/dbraw/zinc/95/77/83/1034957783.db2.gz WSQNMKOQUYFOSD-YZGWKJHDSA-N 1 3 355.526 2.937 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCc4ccccc43)C[C@H]21 ZINC001221657444 1034957784 /nfs/dbraw/zinc/95/77/84/1034957784.db2.gz WSQNMKOQUYFOSD-YZGWKJHDSA-N 1 3 355.526 2.937 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN([C@H]3CCc4ccccc43)C[C@H]21 ZINC001221657444 1034957788 /nfs/dbraw/zinc/95/77/88/1034957788.db2.gz WSQNMKOQUYFOSD-YZGWKJHDSA-N 1 3 355.526 2.937 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN([C@H]3CCc4ccccc43)C[C@H]21 ZINC001221657444 1034957791 /nfs/dbraw/zinc/95/77/91/1034957791.db2.gz WSQNMKOQUYFOSD-YZGWKJHDSA-N 1 3 355.526 2.937 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(-c4cnccn4)cc3)CC2)CC1 ZINC001139395418 1035086876 /nfs/dbraw/zinc/08/68/76/1035086876.db2.gz WDDCRKDYPMYSHY-UHFFFAOYSA-N 1 3 365.525 2.603 20 0 FFADHO CCC1(C[NH+]2CCC3(C[C@@H](COC)N(Cc4ccccn4)C3)CC2)COC1 ZINC001202936916 1035115527 /nfs/dbraw/zinc/11/55/27/1035115527.db2.gz PPPCVYFBQINBSN-FQEVSTJZSA-N 1 3 373.541 2.811 20 0 FFADHO C[NH+]1CCN(c2ccc(CN3CC[C@](CF)(C(F)(F)F)C3)cn2)CC1 ZINC001232360568 1035622625 /nfs/dbraw/zinc/62/26/25/1035622625.db2.gz JTIOXQQCEUBLPL-MRXNPFEDSA-N 1 3 360.399 2.557 20 0 FFADHO C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001228355724 1036068706 /nfs/dbraw/zinc/06/87/06/1036068706.db2.gz SEWVXGANTVGMNX-MORSLUCNSA-N 1 3 353.457 2.995 20 0 FFADHO Cc1cccnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228624251 1036212241 /nfs/dbraw/zinc/21/22/41/1036212241.db2.gz VFBJVMJGKGLHEN-QZTJIDSGSA-N 1 3 360.546 2.885 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3cnccc3C(F)(F)F)CC2)CC1 ZINC001140923063 1036459410 /nfs/dbraw/zinc/45/94/10/1036459410.db2.gz OJJNULPLTREXOR-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)C(C)C ZINC001229195353 1036547660 /nfs/dbraw/zinc/54/76/60/1036547660.db2.gz ZWXNMODOBDNTHO-VAMGGRTRSA-N 1 3 360.546 2.965 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1OC ZINC001229213801 1036555587 /nfs/dbraw/zinc/55/55/87/1036555587.db2.gz KVTHOGIPGPDYJY-QZTJIDSGSA-N 1 3 365.493 2.693 20 0 FFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C ZINC001229239066 1036569912 /nfs/dbraw/zinc/56/99/12/1036569912.db2.gz WDGSBBPUBPFHHG-RTBURBONSA-N 1 3 361.530 2.733 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001233738696 1036739071 /nfs/dbraw/zinc/73/90/71/1036739071.db2.gz CNTJVPSGZPFWOB-PKOBYXMFSA-N 1 3 360.546 2.927 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001233738696 1036739086 /nfs/dbraw/zinc/73/90/86/1036739086.db2.gz CNTJVPSGZPFWOB-PKOBYXMFSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+](C)C)s1 ZINC001229801931 1036906296 /nfs/dbraw/zinc/90/62/96/1036906296.db2.gz XWKNCGROKNJSLW-IAGOWNOFSA-N 1 3 352.548 2.700 20 0 FFADHO Cc1cnc([C@H](C)N[C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+](C)C)cn1 ZINC001229801991 1036909269 /nfs/dbraw/zinc/90/92/69/1036909269.db2.gz YRPNCDCBBZTZIZ-RCCFBDPRSA-N 1 3 361.534 2.595 20 0 FFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC001229859845 1036941139 /nfs/dbraw/zinc/94/11/39/1036941139.db2.gz FVOGPWKVALEMQG-RTBURBONSA-N 1 3 367.484 2.866 20 0 FFADHO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cc1 ZINC001230274680 1037187318 /nfs/dbraw/zinc/18/73/18/1037187318.db2.gz FPNMBWRSAFIZCM-WOJBJXKFSA-N 1 3 361.530 2.595 20 0 FFADHO Nc1[nH]c2ccc(OC[C@@H]3CN(Cc4ccccc4)CCCO3)cc2[nH+]1 ZINC001230514719 1037299600 /nfs/dbraw/zinc/29/96/00/1037299600.db2.gz CMCCULBNAARBEP-KRWDZBQOSA-N 1 3 352.438 2.815 20 0 FFADHO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](CC(C)(C)CN(C)C)C[C@H]12 ZINC001207282368 1037314335 /nfs/dbraw/zinc/31/43/35/1037314335.db2.gz OJVZPKAVUXTCJB-RBBKRZOGSA-N 1 3 357.542 2.839 20 0 FFADHO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CC(C)(C)CN(C)C)C[C@H]12 ZINC001207282368 1037314352 /nfs/dbraw/zinc/31/43/52/1037314352.db2.gz OJVZPKAVUXTCJB-RBBKRZOGSA-N 1 3 357.542 2.839 20 0 FFADHO Cc1nnc(-c2ccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cc2)o1 ZINC001235071290 1037342025 /nfs/dbraw/zinc/34/20/25/1037342025.db2.gz RTOGZXCPHCEFHI-UHFFFAOYSA-N 1 3 369.513 2.504 20 0 FFADHO CCOC(=O)c1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c[nH]1 ZINC001235092590 1037360819 /nfs/dbraw/zinc/36/08/19/1037360819.db2.gz WSGWFRHVKMVKLV-UHFFFAOYSA-N 1 3 353.466 2.828 20 0 FFADHO COC(=O)c1cccc2n[nH]c(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)c21 ZINC001235242105 1037428248 /nfs/dbraw/zinc/42/82/48/1037428248.db2.gz REMBBIDXNBVNNI-INIZCTEOSA-N 1 3 356.470 2.704 20 0 FFADHO O=c1[nH]cc(Br)cc1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243769 1037430063 /nfs/dbraw/zinc/43/00/63/1037430063.db2.gz YQGNIZFHMACENQ-HNNXBMFYSA-N 1 3 354.292 2.904 20 0 FFADHO Cc1nc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)sc1C ZINC001276535275 1037473723 /nfs/dbraw/zinc/47/37/23/1037473723.db2.gz ADRQWRADTVTIMY-LJQANCHMSA-N 1 3 364.559 2.526 20 0 FFADHO Cc1nc2cc(CN3CC[C@@H]4[C@H]3CCC(=O)N4CC[NH+](C)C)ccc2s1 ZINC001277488049 1037475792 /nfs/dbraw/zinc/47/57/92/1037475792.db2.gz WFZRMLGVNOYVRP-QZTJIDSGSA-N 1 3 372.538 2.732 20 0 FFADHO C[NH+]1CCC(CCN2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC001207480251 1037477465 /nfs/dbraw/zinc/47/74/65/1037477465.db2.gz YHKQORZZSDURBH-UHFFFAOYSA-N 1 3 367.335 2.698 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(C)c(F)c3F)C[C@@H]1CC[NH2+]CC2 ZINC001235349071 1037494615 /nfs/dbraw/zinc/49/46/15/1037494615.db2.gz KSHRPSNUASYSDW-KXBFYZLASA-N 1 3 352.425 2.638 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3cc(OC)ccc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235348585 1037495588 /nfs/dbraw/zinc/49/55/88/1037495588.db2.gz DKBAKGJKZVEAQY-KXBFYZLASA-N 1 3 366.889 2.713 20 0 FFADHO CN(Cc1cccc(I)c1F)CC1CC[NH2+]CC1 ZINC001235433354 1037546082 /nfs/dbraw/zinc/54/60/82/1037546082.db2.gz UMOLGZPKOKUIFU-UHFFFAOYSA-N 1 3 362.230 2.862 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001207616791 1037603221 /nfs/dbraw/zinc/60/32/21/1037603221.db2.gz FGEIAICMRQYDFW-LKUPVBHCSA-N 1 3 368.525 2.979 20 0 FFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001207616791 1037603225 /nfs/dbraw/zinc/60/32/25/1037603225.db2.gz FGEIAICMRQYDFW-LKUPVBHCSA-N 1 3 368.525 2.979 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001207617543 1037604052 /nfs/dbraw/zinc/60/40/52/1037604052.db2.gz VEKAYIDACWVVJN-NSISKUIASA-N 1 3 361.505 2.967 20 0 FFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001207617543 1037604065 /nfs/dbraw/zinc/60/40/65/1037604065.db2.gz VEKAYIDACWVVJN-NSISKUIASA-N 1 3 361.505 2.967 20 0 FFADHO c1nc(CNC2CCC2)c2n1CCCN(Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001235556559 1037621531 /nfs/dbraw/zinc/62/15/31/1037621531.db2.gz FCCKJWGBLNCHEA-UHFFFAOYSA-N 1 3 371.554 2.638 20 0 FFADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653215 1037634055 /nfs/dbraw/zinc/63/40/55/1037634055.db2.gz YWLWSMUMOMUXFA-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO Cc1ccccc1CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207653215 1037634059 /nfs/dbraw/zinc/63/40/59/1037634059.db2.gz YWLWSMUMOMUXFA-NRSPTQNISA-N 1 3 359.558 2.950 20 0 FFADHO [NH3+][C@H](Cc1ccccc1)CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001235599360 1037639445 /nfs/dbraw/zinc/63/94/45/1037639445.db2.gz YFYXXVATYLMMMW-URVUXULASA-N 1 3 369.484 2.533 20 0 FFADHO c1c(CN2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001235609459 1037643362 /nfs/dbraw/zinc/64/33/62/1037643362.db2.gz LLZBMTIQYQTIIR-IEBWSBKVSA-N 1 3 369.534 2.731 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3cccc4sccc43)C2)C1=O ZINC001277547569 1037786884 /nfs/dbraw/zinc/78/68/84/1037786884.db2.gz GZOUJEAWJWWLJX-FQEVSTJZSA-N 1 3 357.523 2.887 20 0 FFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3cccc4sccc43)C2)C1=O ZINC001277547569 1037786901 /nfs/dbraw/zinc/78/69/01/1037786901.db2.gz GZOUJEAWJWWLJX-FQEVSTJZSA-N 1 3 357.523 2.887 20 0 FFADHO CN1CCC[C@@H](N2CCn3c(-c4ccccc4)cnc3C23CC[NH2+]CC3)C1 ZINC001255488311 1037967483 /nfs/dbraw/zinc/96/74/83/1037967483.db2.gz GVTYNDGERQMLQF-LJQANCHMSA-N 1 3 365.525 2.539 20 0 FFADHO CCOc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)c1[O-] ZINC001236314786 1038037144 /nfs/dbraw/zinc/03/71/44/1038037144.db2.gz HIBYKXPUSVLDKW-OKILXGFUSA-N 1 3 369.303 2.985 20 0 FFADHO CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)c1[O-] ZINC001236314786 1038037158 /nfs/dbraw/zinc/03/71/58/1038037158.db2.gz HIBYKXPUSVLDKW-OKILXGFUSA-N 1 3 369.303 2.985 20 0 FFADHO CCOc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(Br)c1O ZINC001236314786 1038037180 /nfs/dbraw/zinc/03/71/80/1038037180.db2.gz HIBYKXPUSVLDKW-OKILXGFUSA-N 1 3 369.303 2.985 20 0 FFADHO C[NH+]1CCC(C)(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001208106764 1038038651 /nfs/dbraw/zinc/03/86/51/1038038651.db2.gz KHZOJDIPKCIMAP-UHFFFAOYSA-N 1 3 356.436 2.954 20 0 FFADHO COc1ccnc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccco4)CO3)CC2)c1 ZINC001231967464 1038057936 /nfs/dbraw/zinc/05/79/36/1038057936.db2.gz XSJGHHSHLZSVOK-GOSISDBHSA-N 1 3 371.481 2.939 20 0 FFADHO C[C@@H](CC(F)(F)F)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001255649638 1038102446 /nfs/dbraw/zinc/10/24/46/1038102446.db2.gz CFLSYKDXUCHWIG-NUEKZKHPSA-N 1 3 361.452 2.734 20 0 FFADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001208166620 1038104689 /nfs/dbraw/zinc/10/46/89/1038104689.db2.gz BGITYZJYMHFWAY-QUCCMNQESA-N 1 3 357.542 2.803 20 0 FFADHO CC1=C[C@@H](C)[C@H](C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001208166620 1038104699 /nfs/dbraw/zinc/10/46/99/1038104699.db2.gz BGITYZJYMHFWAY-QUCCMNQESA-N 1 3 357.542 2.803 20 0 FFADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001208166619 1038104769 /nfs/dbraw/zinc/10/47/69/1038104769.db2.gz BGITYZJYMHFWAY-ICSRJNTNSA-N 1 3 357.542 2.803 20 0 FFADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001208166619 1038104776 /nfs/dbraw/zinc/10/47/76/1038104776.db2.gz BGITYZJYMHFWAY-ICSRJNTNSA-N 1 3 357.542 2.803 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cc4c[nH]ccc-4n3)C2)C1 ZINC001232013308 1038107181 /nfs/dbraw/zinc/10/71/81/1038107181.db2.gz KCTJEMRCHSAWQM-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cc4c[nH]ccc-4n3)C2)C1 ZINC001232013308 1038107189 /nfs/dbraw/zinc/10/71/89/1038107189.db2.gz KCTJEMRCHSAWQM-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cc4cnccc4[nH]3)C2)C1 ZINC001232013308 1038107198 /nfs/dbraw/zinc/10/71/98/1038107198.db2.gz KCTJEMRCHSAWQM-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cc4cnccc4[nH]3)C2)C1 ZINC001232013308 1038107209 /nfs/dbraw/zinc/10/72/09/1038107209.db2.gz KCTJEMRCHSAWQM-WIYYLYMNSA-N 1 3 354.498 2.743 20 0 FFADHO CCN(Cc1ccc2c(c1)OCO2)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001236662592 1038179776 /nfs/dbraw/zinc/17/97/76/1038179776.db2.gz KXJPICVMVLBFCS-UHFFFAOYSA-N 1 3 367.493 2.843 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1 ZINC001232148006 1038198363 /nfs/dbraw/zinc/19/83/63/1038198363.db2.gz FRDKFNZGAKGJQK-NNZMDNLPSA-N 1 3 359.489 2.624 20 0 FFADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c1 ZINC001232148006 1038198368 /nfs/dbraw/zinc/19/83/68/1038198368.db2.gz FRDKFNZGAKGJQK-NNZMDNLPSA-N 1 3 359.489 2.624 20 0 FFADHO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C2 ZINC001232150265 1038199172 /nfs/dbraw/zinc/19/91/72/1038199172.db2.gz QYBHNTGGCKKCLE-PMACEKPBSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C2 ZINC001232150265 1038199175 /nfs/dbraw/zinc/19/91/75/1038199175.db2.gz QYBHNTGGCKKCLE-PMACEKPBSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@@]12CCCO[C@H]1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232150265 1038199185 /nfs/dbraw/zinc/19/91/85/1038199185.db2.gz QYBHNTGGCKKCLE-PMACEKPBSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C2 ZINC001232150267 1038199710 /nfs/dbraw/zinc/19/97/10/1038199710.db2.gz QYBHNTGGCKKCLE-VQTJNVASSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C2 ZINC001232150267 1038199718 /nfs/dbraw/zinc/19/97/18/1038199718.db2.gz QYBHNTGGCKKCLE-VQTJNVASSA-N 1 3 350.478 2.905 20 0 FFADHO COC[C@]12CCCO[C@H]1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232150267 1038199723 /nfs/dbraw/zinc/19/97/23/1038199723.db2.gz QYBHNTGGCKKCLE-VQTJNVASSA-N 1 3 350.478 2.905 20 0 FFADHO CCCOc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208447527 1038322620 /nfs/dbraw/zinc/32/26/20/1038322620.db2.gz JJSRYCXOYOMXBB-YLJYHZDGSA-N 1 3 361.530 2.754 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1C)N(CC)CC ZINC001208575193 1038421293 /nfs/dbraw/zinc/42/12/93/1038421293.db2.gz LSUBOTQSPTYPGU-RLLQIKCJSA-N 1 3 367.578 2.750 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1C)N(CC)CC ZINC001208575193 1038421299 /nfs/dbraw/zinc/42/12/99/1038421299.db2.gz LSUBOTQSPTYPGU-RLLQIKCJSA-N 1 3 367.578 2.750 20 0 FFADHO C[NH+]1CCC(NC2(c3cccnc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256199401 1038428145 /nfs/dbraw/zinc/42/81/45/1038428145.db2.gz OWWNTALMBAIXAK-UHFFFAOYSA-N 1 3 374.529 2.992 20 0 FFADHO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681769 1038600227 /nfs/dbraw/zinc/60/02/27/1038600227.db2.gz BWKCEJMWZWSZPI-UHFFFAOYSA-N 1 3 355.523 2.523 20 0 FFADHO COCCCCN1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208948961 1038600732 /nfs/dbraw/zinc/60/07/32/1038600732.db2.gz ULMKPHAUSWPUGF-JOCHJYFZSA-N 1 3 359.558 2.943 20 0 FFADHO COCCCCN1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948961 1038600736 /nfs/dbraw/zinc/60/07/36/1038600736.db2.gz ULMKPHAUSWPUGF-JOCHJYFZSA-N 1 3 359.558 2.943 20 0 FFADHO COC(=O)c1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ccc1Cl ZINC001256682712 1038600731 /nfs/dbraw/zinc/60/07/31/1038600731.db2.gz NJSCAOGFETXYFH-UHFFFAOYSA-N 1 3 366.889 2.860 20 0 FFADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001256682547 1038600799 /nfs/dbraw/zinc/60/07/99/1038600799.db2.gz KVABCVZEMWEPJJ-DAWZGUTISA-N 1 3 372.431 2.972 20 0 FFADHO CC(=O)N1CCCC[C@@]12CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951405 1038601921 /nfs/dbraw/zinc/60/19/21/1038601921.db2.gz KWBSXNQENBYJPK-YADHBBJMSA-N 1 3 355.526 2.985 20 0 FFADHO CC(=O)N1CCCC[C@@]12CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951405 1038601923 /nfs/dbraw/zinc/60/19/23/1038601923.db2.gz KWBSXNQENBYJPK-YADHBBJMSA-N 1 3 355.526 2.985 20 0 FFADHO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687018 1038602717 /nfs/dbraw/zinc/60/27/17/1038602717.db2.gz ZYYDMGDVLJKOLE-GTPINHCMSA-N 1 3 355.523 2.523 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)C1CCC(N3CCOCC3)CC1)C2 ZINC001256695834 1038606163 /nfs/dbraw/zinc/60/61/63/1038606163.db2.gz PGDFDXSKZPPVGZ-LMDPOFIKSA-N 1 3 374.525 2.919 20 0 FFADHO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C1CCC(N3CCOCC3)CC1)C2 ZINC001256695834 1038606166 /nfs/dbraw/zinc/60/61/66/1038606166.db2.gz PGDFDXSKZPPVGZ-LMDPOFIKSA-N 1 3 374.525 2.919 20 0 FFADHO c1ccc(CN2CC[C@@H](C[NH+]3CCC(Oc4ccncn4)CC3)C2)cc1 ZINC001208965367 1038610699 /nfs/dbraw/zinc/61/06/99/1038610699.db2.gz YZQXEPZCLFNPNC-IBGZPJMESA-N 1 3 352.482 2.842 20 0 FFADHO CNc1ncccc1CN1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278971255 1038643110 /nfs/dbraw/zinc/64/31/10/1038643110.db2.gz OPKPSRVWFOSHPF-UHFFFAOYSA-N 1 3 354.502 2.725 20 0 FFADHO CNc1ncccc1CN1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278971255 1038643114 /nfs/dbraw/zinc/64/31/14/1038643114.db2.gz OPKPSRVWFOSHPF-UHFFFAOYSA-N 1 3 354.502 2.725 20 0 FFADHO c1cc(CCC[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)ccn1 ZINC001209184972 1038704453 /nfs/dbraw/zinc/70/44/53/1038704453.db2.gz DSETXCNSMWVOBY-FGZHOGPDSA-N 1 3 366.509 2.632 20 0 FFADHO c1cc(CCC[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)ccn1 ZINC001209184972 1038704459 /nfs/dbraw/zinc/70/44/59/1038704459.db2.gz DSETXCNSMWVOBY-FGZHOGPDSA-N 1 3 366.509 2.632 20 0 FFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccc3occc3c1)CC2 ZINC001279008411 1038766660 /nfs/dbraw/zinc/76/66/60/1038766660.db2.gz YMSZRCZINNPJTM-UHFFFAOYSA-N 1 3 355.482 2.809 20 0 FFADHO O[C@H](C[NH2+]C1CCN(CC2CCC2)CC1)COc1ccc(F)cc1F ZINC001250882625 1038775871 /nfs/dbraw/zinc/77/58/71/1038775871.db2.gz MEJAUKZVZJIHEZ-QGZVFWFLSA-N 1 3 354.441 2.559 20 0 FFADHO COC(=O)[C@H]1CCC[N@@H+](C2CCN(CC3CCC(OC)CC3)CC2)C1 ZINC001209400947 1038832088 /nfs/dbraw/zinc/83/20/88/1038832088.db2.gz DZQJAOUJOIJPSI-HFCFLWKCSA-N 1 3 352.519 2.541 20 0 FFADHO COC(=O)[C@H]1CCC[N@H+](C2CCN(CC3CCC(OC)CC3)CC2)C1 ZINC001209400947 1038832115 /nfs/dbraw/zinc/83/21/15/1038832115.db2.gz DZQJAOUJOIJPSI-HFCFLWKCSA-N 1 3 352.519 2.541 20 0 FFADHO c1cc2c(cc1C1=CC[C@H](N3CCOCC3)CC1)COC1(CC[NH2+]CC1)O2 ZINC001245427050 1039005443 /nfs/dbraw/zinc/00/54/43/1039005443.db2.gz UYJYICOKAHXKRI-FQEVSTJZSA-N 1 3 370.493 2.943 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001251412525 1039118259 /nfs/dbraw/zinc/11/82/59/1039118259.db2.gz ODOXCHKACOWWPR-IBGZPJMESA-N 1 3 350.551 2.768 20 0 FFADHO COCCCCN1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148307 1039231852 /nfs/dbraw/zinc/23/18/52/1039231852.db2.gz GGJQMPHXPYIEFK-UHFFFAOYSA-N 1 3 359.558 2.738 20 0 FFADHO O[C@@H](CN[C@H]1CCCC[NH2+]C1)CN(Cc1ccccc1)Cc1ccccc1 ZINC001246288594 1039301030 /nfs/dbraw/zinc/30/10/30/1039301030.db2.gz BLDNYLMDCVFALS-GOTSBHOMSA-N 1 3 367.537 2.781 20 0 FFADHO CC(C)(C)OC(=O)[C@H]1CCCCN1CNC1CCC2(CC[NH2+]C2)CC1 ZINC001246347814 1039319748 /nfs/dbraw/zinc/31/97/48/1039319748.db2.gz FJXKTQANEKDWJM-OHTSDLOESA-N 1 3 351.535 2.652 20 0 FFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001210033681 1039342481 /nfs/dbraw/zinc/34/24/81/1039342481.db2.gz VNDXMDCLPIVZQK-OXQOHEQNSA-N 1 3 354.498 2.513 20 0 FFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1C ZINC001210033681 1039342492 /nfs/dbraw/zinc/34/24/92/1039342492.db2.gz VNDXMDCLPIVZQK-OXQOHEQNSA-N 1 3 354.498 2.513 20 0 FFADHO [NH3+][C@@H]1CCCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001246541721 1039390630 /nfs/dbraw/zinc/39/06/30/1039390630.db2.gz MZCLYXRXEOMVGL-CQSZACIVSA-N 1 3 353.869 2.897 20 0 FFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1C ZINC001210180042 1039421767 /nfs/dbraw/zinc/42/17/67/1039421767.db2.gz XGVDIIHLKLRWCS-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCOCC(C)C)C[C@H]1C ZINC001210180042 1039421772 /nfs/dbraw/zinc/42/17/72/1039421772.db2.gz XGVDIIHLKLRWCS-AQNXPRMDSA-N 1 3 367.578 2.750 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC001246692075 1039439875 /nfs/dbraw/zinc/43/98/75/1039439875.db2.gz FTFLZLDTIGZOPM-IBGZPJMESA-N 1 3 361.530 2.598 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCN[C@@H](C(C)C)C4)C[C@@H]3C2=O)c1 ZINC001246749818 1039462704 /nfs/dbraw/zinc/46/27/04/1039462704.db2.gz WXAHYJMQPBGWBW-JSXRDJHFSA-N 1 3 355.526 2.662 20 0 FFADHO Cc1cccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCN[C@@H](C(C)C)C4)C[C@@H]3C2=O)c1 ZINC001246749818 1039462710 /nfs/dbraw/zinc/46/27/10/1039462710.db2.gz WXAHYJMQPBGWBW-JSXRDJHFSA-N 1 3 355.526 2.662 20 0 FFADHO CC(C)[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753890 1039465482 /nfs/dbraw/zinc/46/54/82/1039465482.db2.gz DMTPMEUXNXYDLJ-PLACYPQZSA-N 1 3 350.547 2.918 20 0 FFADHO CC(C)[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CCN1 ZINC001246753890 1039465490 /nfs/dbraw/zinc/46/54/90/1039465490.db2.gz DMTPMEUXNXYDLJ-PLACYPQZSA-N 1 3 350.547 2.918 20 0 FFADHO C[C@H]1C[C@H](N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CC[NH2+]1 ZINC001246757885 1039467806 /nfs/dbraw/zinc/46/78/06/1039467806.db2.gz YWJVFAMVONXBAK-ZJDLJICXSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246757885 1039467809 /nfs/dbraw/zinc/46/78/09/1039467809.db2.gz YWJVFAMVONXBAK-ZJDLJICXSA-N 1 3 371.525 2.571 20 0 FFADHO C[C@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)CCN1 ZINC001246757885 1039467816 /nfs/dbraw/zinc/46/78/16/1039467816.db2.gz YWJVFAMVONXBAK-ZJDLJICXSA-N 1 3 371.525 2.571 20 0 FFADHO C[NH2+]C1CCC(N2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246808716 1039489590 /nfs/dbraw/zinc/48/95/90/1039489590.db2.gz YMSYDWNQORTXRC-OFLPRAFFSA-N 1 3 352.320 2.926 20 0 FFADHO COC(=O)[C@H]1C[N@@H+]([C@H](C)CCc2ccc(Br)cc2)CC[C@@H]1N ZINC001246940046 1039541820 /nfs/dbraw/zinc/54/18/20/1039541820.db2.gz CRMQFWVPHVJKHS-KCXAZCMYSA-N 1 3 369.303 2.592 20 0 FFADHO COC(=O)[C@H]1C[N@H+]([C@H](C)CCc2ccc(Br)cc2)CC[C@@H]1N ZINC001246940046 1039541836 /nfs/dbraw/zinc/54/18/36/1039541836.db2.gz CRMQFWVPHVJKHS-KCXAZCMYSA-N 1 3 369.303 2.592 20 0 FFADHO Cc1ccccc1OCCN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210432945 1039544525 /nfs/dbraw/zinc/54/45/25/1039544525.db2.gz IZOKUTUVRNVTFT-RTBURBONSA-N 1 3 361.530 2.542 20 0 FFADHO CC[NH+](CC)CCC[C@@H](C)n1cc(Br)ccc1=NCCN ZINC001258902413 1039573587 /nfs/dbraw/zinc/57/35/87/1039573587.db2.gz CGPOJHHSPBBPDO-CQSZACIVSA-N 1 3 357.340 2.793 20 0 FFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001210499115 1039585273 /nfs/dbraw/zinc/58/52/73/1039585273.db2.gz QEQVULIRAAKMHJ-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001210499115 1039585289 /nfs/dbraw/zinc/58/52/89/1039585289.db2.gz QEQVULIRAAKMHJ-CDHQVMDDSA-N 1 3 361.505 2.981 20 0 FFADHO O[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)COCc1ccco1 ZINC001252656849 1039636098 /nfs/dbraw/zinc/63/60/98/1039636098.db2.gz PREMDCSCHLNTIZ-BURNTYAHSA-N 1 3 370.493 2.942 20 0 FFADHO O[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccco1 ZINC001252656849 1039636109 /nfs/dbraw/zinc/63/61/09/1039636109.db2.gz PREMDCSCHLNTIZ-BURNTYAHSA-N 1 3 370.493 2.942 20 0 FFADHO COc1cccnc1C(C)(C)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252949986 1039858720 /nfs/dbraw/zinc/85/87/20/1039858720.db2.gz AIPJPEVEXHNXQM-QFIPXVFZSA-N 1 3 369.509 2.594 20 0 FFADHO COc1cccnc1C(C)(C)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949986 1039858745 /nfs/dbraw/zinc/85/87/45/1039858745.db2.gz AIPJPEVEXHNXQM-QFIPXVFZSA-N 1 3 369.509 2.594 20 0 FFADHO Cc1ccc(C2(CNC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001252954435 1039871135 /nfs/dbraw/zinc/87/11/35/1039871135.db2.gz URUYOUABSWZZPI-JOCHJYFZSA-N 1 3 351.494 2.648 20 0 FFADHO Cc1ccc(C2(CNC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001252954435 1039871158 /nfs/dbraw/zinc/87/11/58/1039871158.db2.gz URUYOUABSWZZPI-JOCHJYFZSA-N 1 3 351.494 2.648 20 0 FFADHO CC[NH+](CC)C[C@H](O)CNC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001253211118 1040049017 /nfs/dbraw/zinc/04/90/17/1040049017.db2.gz BAYFLHPHYXSSOZ-QGZVFWFLSA-N 1 3 355.473 2.865 20 0 FFADHO c1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C2)cc1 ZINC001248090631 1040124004 /nfs/dbraw/zinc/12/40/04/1040124004.db2.gz RYWUEWVHERBDBC-QGZVFWFLSA-N 1 3 361.449 2.767 20 0 FFADHO c1ccc(C[N@H+]2CC[C@@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C2)cc1 ZINC001248090631 1040124015 /nfs/dbraw/zinc/12/40/15/1040124015.db2.gz RYWUEWVHERBDBC-QGZVFWFLSA-N 1 3 361.449 2.767 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001253408793 1040156290 /nfs/dbraw/zinc/15/62/90/1040156290.db2.gz IXUKVTCMLMIVHP-HNNXBMFYSA-N 1 3 371.928 2.782 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(Cc2cccc(Cl)c2F)CC1 ZINC001253408336 1040156332 /nfs/dbraw/zinc/15/63/32/1040156332.db2.gz CGWRPXARECFXST-INIZCTEOSA-N 1 3 371.928 2.782 20 0 FFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405504 1040157271 /nfs/dbraw/zinc/15/72/71/1040157271.db2.gz DSPYLNYEJPZQIC-ULQDDVLXSA-N 1 3 371.566 2.608 20 0 FFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405504 1040157276 /nfs/dbraw/zinc/15/72/76/1040157276.db2.gz DSPYLNYEJPZQIC-ULQDDVLXSA-N 1 3 371.566 2.608 20 0 FFADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001253406151 1040157619 /nfs/dbraw/zinc/15/76/19/1040157619.db2.gz AUCZNAWAILPEPT-CVEARBPZSA-N 1 3 357.539 2.505 20 0 FFADHO CC(C)CCOCCN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211445868 1040205417 /nfs/dbraw/zinc/20/54/17/1040205417.db2.gz QPYVBHQPKSQWEF-WOJBJXKFSA-N 1 3 367.578 2.752 20 0 FFADHO CCCCOCCN1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211445497 1040206905 /nfs/dbraw/zinc/20/69/05/1040206905.db2.gz DYEGNPSWLLLDIO-RTBURBONSA-N 1 3 353.551 2.506 20 0 FFADHO c1cnn(-c2ccc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)cc2)n1 ZINC001248770855 1040413591 /nfs/dbraw/zinc/41/35/91/1040413591.db2.gz JRNDDPOKDKEZLW-OYRHEFFESA-N 1 3 359.477 2.831 20 0 FFADHO c1cnn(-c2ccc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)cc2)n1 ZINC001248770855 1040413595 /nfs/dbraw/zinc/41/35/95/1040413595.db2.gz JRNDDPOKDKEZLW-OYRHEFFESA-N 1 3 359.477 2.831 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2cccc(OC)c2)CC1 ZINC001253960105 1040473557 /nfs/dbraw/zinc/47/35/57/1040473557.db2.gz FDKXIBOYSQKYOJ-GOSISDBHSA-N 1 3 350.503 2.631 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2cccc(OC)c2)CC1 ZINC001253960105 1040473566 /nfs/dbraw/zinc/47/35/66/1040473566.db2.gz FDKXIBOYSQKYOJ-GOSISDBHSA-N 1 3 350.503 2.631 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001254028274 1040531579 /nfs/dbraw/zinc/53/15/79/1040531579.db2.gz UMYZAYHFUUIJFA-RDGPPVDQSA-N 1 3 362.514 2.818 20 0 FFADHO CC(C)Oc1ccccc1OC[C@@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001254028274 1040531597 /nfs/dbraw/zinc/53/15/97/1040531597.db2.gz UMYZAYHFUUIJFA-RDGPPVDQSA-N 1 3 362.514 2.818 20 0 FFADHO Cc1nc([C@@H]2CCCN(CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)no1 ZINC001254034191 1040534567 /nfs/dbraw/zinc/53/45/67/1040534567.db2.gz HEIFICRPEOATPH-LJQANCHMSA-N 1 3 370.497 2.585 20 0 FFADHO Cc1nc([C@@H]2CCC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)no1 ZINC001254034191 1040534586 /nfs/dbraw/zinc/53/45/86/1040534586.db2.gz HEIFICRPEOATPH-LJQANCHMSA-N 1 3 370.497 2.585 20 0 FFADHO Cc1nc([C@@H]2CCC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)no1 ZINC001254034191 1040534605 /nfs/dbraw/zinc/53/46/05/1040534605.db2.gz HEIFICRPEOATPH-LJQANCHMSA-N 1 3 370.497 2.585 20 0 FFADHO Cc1nc([C@H]2CCCN(CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)no1 ZINC001254034187 1040535821 /nfs/dbraw/zinc/53/58/21/1040535821.db2.gz HEIFICRPEOATPH-IBGZPJMESA-N 1 3 370.497 2.585 20 0 FFADHO Cc1nc([C@H]2CCC[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)no1 ZINC001254034187 1040535840 /nfs/dbraw/zinc/53/58/40/1040535840.db2.gz HEIFICRPEOATPH-IBGZPJMESA-N 1 3 370.497 2.585 20 0 FFADHO Cc1nc([C@H]2CCC[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)C2)no1 ZINC001254034187 1040535858 /nfs/dbraw/zinc/53/58/58/1040535858.db2.gz HEIFICRPEOATPH-IBGZPJMESA-N 1 3 370.497 2.585 20 0 FFADHO OC1(CN2CC3(C2)C[C@H](F)CS3)CC[NH+](Cc2ccccc2)CC1 ZINC001254040342 1040542767 /nfs/dbraw/zinc/54/27/67/1040542767.db2.gz RJOXOHAHJJXXRL-KRWDZBQOSA-N 1 3 350.503 2.543 20 0 FFADHO CC[C@@H](C(=O)N[C@@H]1CN(CCCC2CCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434462 1040548649 /nfs/dbraw/zinc/54/86/49/1040548649.db2.gz CWLVYLKWNQJTLW-CEXWTWQISA-N 1 3 353.551 2.503 20 0 FFADHO O[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254050598 1040553076 /nfs/dbraw/zinc/55/30/76/1040553076.db2.gz PNMYJTGZVYRPJL-VXKWHMMOSA-N 1 3 366.505 2.652 20 0 FFADHO COc1ccsc1CN1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001278780665 1040693703 /nfs/dbraw/zinc/69/37/03/1040693703.db2.gz OTEXHWNENOICHS-IBGZPJMESA-N 1 3 351.560 2.996 20 0 FFADHO COc1ccsc1CN1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001278780665 1040693710 /nfs/dbraw/zinc/69/37/10/1040693710.db2.gz OTEXHWNENOICHS-IBGZPJMESA-N 1 3 351.560 2.996 20 0 FFADHO CC(=O)N1CCC(N2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254429690 1040717010 /nfs/dbraw/zinc/71/70/10/1040717010.db2.gz LQQFMQJYMOQPFM-JOCHJYFZSA-N 1 3 355.526 2.985 20 0 FFADHO CC(=O)N1CCC(N2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001254429690 1040717027 /nfs/dbraw/zinc/71/70/27/1040717027.db2.gz LQQFMQJYMOQPFM-JOCHJYFZSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC001254474814 1040740629 /nfs/dbraw/zinc/74/06/29/1040740629.db2.gz SPDIWRGIGZRUBW-RTWAWAEBSA-N 1 3 370.541 2.839 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CCN([C@@H]3CCC[N@H+](C)CC3)C2)cc1 ZINC001254530696 1040784398 /nfs/dbraw/zinc/78/43/98/1040784398.db2.gz BATWNQWIQVTNJV-QUCCMNQESA-N 1 3 359.514 2.764 20 0 FFADHO CCCNC(=O)c1ccc(O[C@H]2CCN([C@@H]3CCC[N@@H+](C)CC3)C2)cc1 ZINC001254530696 1040784411 /nfs/dbraw/zinc/78/44/11/1040784411.db2.gz BATWNQWIQVTNJV-QUCCMNQESA-N 1 3 359.514 2.764 20 0 FFADHO FC(F)(F)c1nn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2c1CCNC2 ZINC001255120022 1041155510 /nfs/dbraw/zinc/15/55/10/1041155510.db2.gz IPECIKKPOYEGLX-CQSZACIVSA-N 1 3 350.388 2.995 20 0 FFADHO FC(F)(F)c1nn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2c1CCNC2 ZINC001255120022 1041155516 /nfs/dbraw/zinc/15/55/16/1041155516.db2.gz IPECIKKPOYEGLX-CQSZACIVSA-N 1 3 350.388 2.995 20 0 FFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N2CC[C@@H](N4CCOCC4)C2)C3)cc1 ZINC001255143343 1041167055 /nfs/dbraw/zinc/16/70/55/1041167055.db2.gz KOBQFHTYILNNOH-CIAFKFPVSA-N 1 3 355.526 2.589 20 0 FFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2CC[C@@H](N4CCOCC4)C2)C3)cc1 ZINC001255143343 1041167061 /nfs/dbraw/zinc/16/70/61/1041167061.db2.gz KOBQFHTYILNNOH-CIAFKFPVSA-N 1 3 355.526 2.589 20 0 FFADHO C[C@H](NC(=O)N1CCCC2(CC[NH2+]CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC001261376762 1041200184 /nfs/dbraw/zinc/20/01/84/1041200184.db2.gz XVBFJHUACXMPFG-HKUYNNGSSA-N 1 3 358.530 2.853 20 0 FFADHO NC(=O)c1ccccc1OCCN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389046 1041315959 /nfs/dbraw/zinc/31/59/59/1041315959.db2.gz JDUVXIQOVMMVIP-IBGZPJMESA-N 1 3 367.493 2.809 20 0 FFADHO NC(=O)c1ccccc1OCCN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389046 1041315965 /nfs/dbraw/zinc/31/59/65/1041315965.db2.gz JDUVXIQOVMMVIP-IBGZPJMESA-N 1 3 367.493 2.809 20 0 FFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001214863376 1041598601 /nfs/dbraw/zinc/59/86/01/1041598601.db2.gz KDODIPQNHWJBMV-YLJYHZDGSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001214861524 1041599136 /nfs/dbraw/zinc/59/91/36/1041599136.db2.gz WDDYGJLNKFLYGD-WIYYLYMNSA-N 1 3 357.542 2.848 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC001215001275 1041639596 /nfs/dbraw/zinc/63/95/96/1041639596.db2.gz BTIQMKDWQDMCPF-OXQOHEQNSA-N 1 3 368.525 2.902 20 0 FFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NCc1cccnc1 ZINC001215224891 1041706796 /nfs/dbraw/zinc/70/67/96/1041706796.db2.gz ZJRAKAYNIGVDMP-IEBWSBKVSA-N 1 3 358.530 2.530 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@H]2C)sn1 ZINC001215234150 1041708443 /nfs/dbraw/zinc/70/84/43/1041708443.db2.gz FYWHYTDDWFZFDX-RHSMWYFYSA-N 1 3 364.559 2.653 20 0 FFADHO CC[C@@H](C)N[C@H](CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccco1 ZINC001262582426 1041736862 /nfs/dbraw/zinc/73/68/62/1041736862.db2.gz VEJFVIRYBHLPHW-VVHMCBODSA-N 1 3 356.470 2.633 20 0 FFADHO COc1ccc2c(c1)nccc2N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001262680172 1041790226 /nfs/dbraw/zinc/79/02/26/1041790226.db2.gz SGTAOAWSXKEDER-UHFFFAOYSA-N 1 3 354.498 2.707 20 0 FFADHO CCc1noc(C)c1CN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215518465 1041811799 /nfs/dbraw/zinc/81/17/99/1041811799.db2.gz BLQDAYZDEJUMLF-ZMYBRWDISA-N 1 3 364.534 2.602 20 0 FFADHO COc1cccc(/C=C\CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001215685482 1041859402 /nfs/dbraw/zinc/85/94/02/1041859402.db2.gz RISDBVHOZAEFKO-JNKGMTHBSA-N 1 3 368.481 2.501 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2c(C)cccc2Cl)C1 ZINC001216226013 1041983038 /nfs/dbraw/zinc/98/30/38/1041983038.db2.gz KUEOIYLEPPRGGJ-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2c(C)cccc2Cl)C1 ZINC001216226013 1041983044 /nfs/dbraw/zinc/98/30/44/1041983044.db2.gz KUEOIYLEPPRGGJ-CRAIPNDOSA-N 1 3 351.922 2.927 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001216499938 1042042147 /nfs/dbraw/zinc/04/21/47/1042042147.db2.gz WRDFDCPQJRTDLK-CXAGYDPISA-N 1 3 355.885 2.757 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC001216515603 1042046584 /nfs/dbraw/zinc/04/65/84/1042046584.db2.gz SPFFTIGMOWPYDI-RHSMWYFYSA-N 1 3 371.447 2.984 20 0 FFADHO CC(C)C[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001263100959 1042103864 /nfs/dbraw/zinc/10/38/64/1042103864.db2.gz DMZMTGBIJANKAM-HKUYNNGSSA-N 1 3 374.529 2.555 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001264655678 1042773404 /nfs/dbraw/zinc/77/34/04/1042773404.db2.gz JQDMTNATGSUCTR-SVFBPWRDSA-N 1 3 355.526 2.796 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccccc43)CC[C@@H]2C1 ZINC001264655678 1042773406 /nfs/dbraw/zinc/77/34/06/1042773406.db2.gz JQDMTNATGSUCTR-SVFBPWRDSA-N 1 3 355.526 2.796 20 0 FFADHO Oc1ccc(C[N@@H+]2CCC[C@@]3(CCCN(CCn4ccnc4)C3)C2)cc1 ZINC001279184605 1042937062 /nfs/dbraw/zinc/93/70/62/1042937062.db2.gz WAXDUWAHEBKFTD-OAQYLSRUSA-N 1 3 354.498 2.967 20 0 FFADHO Oc1ccc(C[N@H+]2CCC[C@@]3(CCCN(CCn4ccnc4)C3)C2)cc1 ZINC001279184605 1042937064 /nfs/dbraw/zinc/93/70/64/1042937064.db2.gz WAXDUWAHEBKFTD-OAQYLSRUSA-N 1 3 354.498 2.967 20 0 FFADHO C[C@@H]1C[C@H]1CN1CC2(CCN2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001279268412 1042975225 /nfs/dbraw/zinc/97/52/25/1042975225.db2.gz BHYFOYMKXSGBLO-QUCCMNQESA-N 1 3 357.542 2.933 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cnc(C)n1C)CC2 ZINC001279399921 1043057565 /nfs/dbraw/zinc/05/75/65/1043057565.db2.gz LEMJSLHAQJEZRT-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC2(C1)CCN(Cc1cnc(C)n1C)CC2 ZINC001279399921 1043057578 /nfs/dbraw/zinc/05/75/78/1043057578.db2.gz LEMJSLHAQJEZRT-UHFFFAOYSA-N 1 3 359.543 2.982 20 0 FFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1ncccc1C(F)(F)F)CC2 ZINC001279449389 1043127781 /nfs/dbraw/zinc/12/77/81/1043127781.db2.gz VUZWHVCCMIIVCM-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CCOC(=O)[C@@H]1CN(Cc2ccnc3c(Cl)cccc23)CCC12C[NH2+]C2 ZINC001237431698 1043156691 /nfs/dbraw/zinc/15/66/91/1043156691.db2.gz QKXPLQDYGLFVAP-INIZCTEOSA-N 1 3 373.884 2.863 20 0 FFADHO CC1=CCC=C[C@H]1C(=O)N1CCC2(CN(CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001279477353 1043161094 /nfs/dbraw/zinc/16/10/94/1043161094.db2.gz MUBDWTNDTHUSPM-LJQANCHMSA-N 1 3 357.542 2.775 20 0 FFADHO CCn1ccnc1CN1CCC2(C[NH+](CC3(CN(C)C)CCCC3)C2)C1 ZINC001279491865 1043177659 /nfs/dbraw/zinc/17/76/59/1043177659.db2.gz JWCAEBDJTCMVQY-UHFFFAOYSA-N 1 3 359.562 2.533 20 0 FFADHO CCc1[nH]ncc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237649468 1043293845 /nfs/dbraw/zinc/29/38/45/1043293845.db2.gz RHKZFCPXKLQHOF-UNMCSNQZSA-N 1 3 372.557 2.933 20 0 FFADHO CCc1[nH]ncc1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237649468 1043293856 /nfs/dbraw/zinc/29/38/56/1043293856.db2.gz RHKZFCPXKLQHOF-UNMCSNQZSA-N 1 3 372.557 2.933 20 0 FFADHO COCc1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1 ZINC001279584203 1043295842 /nfs/dbraw/zinc/29/58/42/1043295842.db2.gz XQIGVTDCVKWGCG-UHFFFAOYSA-N 1 3 354.498 2.628 20 0 FFADHO CCCn1ncc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1C ZINC001279605220 1043330059 /nfs/dbraw/zinc/33/00/59/1043330059.db2.gz ZGMHDBBOCLGDNG-UHFFFAOYSA-N 1 3 356.518 2.813 20 0 FFADHO CCCn1ncc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1C ZINC001279605220 1043330068 /nfs/dbraw/zinc/33/00/68/1043330068.db2.gz ZGMHDBBOCLGDNG-UHFFFAOYSA-N 1 3 356.518 2.813 20 0 FFADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC001279623567 1043359596 /nfs/dbraw/zinc/35/95/96/1043359596.db2.gz PXGKDTCIWKIQFD-UHFFFAOYSA-N 1 3 361.505 2.634 20 0 FFADHO COc1cccc(CN2CCC3(C2)CC[NH+](Cc2c[nH]ccc2=O)CC3)c1 ZINC001237835688 1043389972 /nfs/dbraw/zinc/38/99/72/1043389972.db2.gz CRBJQGZSQFKMHA-UHFFFAOYSA-N 1 3 367.493 2.872 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001279702210 1043494912 /nfs/dbraw/zinc/49/49/12/1043494912.db2.gz QLHLNWINFQDBMI-UHFFFAOYSA-N 1 3 359.493 2.552 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001279702210 1043494917 /nfs/dbraw/zinc/49/49/17/1043494917.db2.gz QLHLNWINFQDBMI-UHFFFAOYSA-N 1 3 359.493 2.552 20 0 FFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001279702210 1043494921 /nfs/dbraw/zinc/49/49/21/1043494921.db2.gz QLHLNWINFQDBMI-UHFFFAOYSA-N 1 3 359.493 2.552 20 0 FFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001279702210 1043494925 /nfs/dbraw/zinc/49/49/25/1043494925.db2.gz QLHLNWINFQDBMI-UHFFFAOYSA-N 1 3 359.493 2.552 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316598103 1043525297 /nfs/dbraw/zinc/52/52/97/1043525297.db2.gz LMNUCGRHPWVZNL-QRVBRYPASA-N 1 3 362.518 2.620 20 0 FFADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001311562829 1043937138 /nfs/dbraw/zinc/93/71/38/1043937138.db2.gz DMYRXGVNPZACGF-HXUWFJFHSA-N 1 3 360.546 2.928 20 0 FFADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001311562829 1043937142 /nfs/dbraw/zinc/93/71/42/1043937142.db2.gz DMYRXGVNPZACGF-HXUWFJFHSA-N 1 3 360.546 2.928 20 0 FFADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001311877138 1043994425 /nfs/dbraw/zinc/99/44/25/1043994425.db2.gz JDTXBBCHHUZZML-ZVDOUQERSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1cc(C)c(CN2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)c(C)c1 ZINC001279993800 1044056806 /nfs/dbraw/zinc/05/68/06/1044056806.db2.gz QZZXAYBJNDFIEO-HXUWFJFHSA-N 1 3 355.526 2.644 20 0 FFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001239215245 1044072062 /nfs/dbraw/zinc/07/20/62/1044072062.db2.gz JYBAXWFHBFVPEI-ZDUSSCGKSA-N 1 3 374.382 2.840 20 0 FFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC001239218420 1044074008 /nfs/dbraw/zinc/07/40/08/1044074008.db2.gz ZPNKFEZYEQFJAE-GFCCVEGCSA-N 1 3 357.285 2.989 20 0 FFADHO CN(C)CCN(C(=O)Nc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001239308262 1044097714 /nfs/dbraw/zinc/09/77/14/1044097714.db2.gz VSCPROOKZNHOQL-OAHLLOKOSA-N 1 3 369.307 2.597 20 0 FFADHO CN(C)CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001239307535 1044097755 /nfs/dbraw/zinc/09/77/55/1044097755.db2.gz FAAKZIWPAYXJRM-INIZCTEOSA-N 1 3 372.435 2.531 20 0 FFADHO C[NH+]1CCC2(CCN2C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC001313166963 1044257486 /nfs/dbraw/zinc/25/74/86/1044257486.db2.gz LLLHZELUVBFQLX-HXUWFJFHSA-N 1 3 370.541 2.921 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001313376740 1044338292 /nfs/dbraw/zinc/33/82/92/1044338292.db2.gz AZQRAGYIHLYFJV-URVUXULASA-N 1 3 370.541 2.634 20 0 FFADHO CN1CCCC[C@H]1CNC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001313376740 1044338307 /nfs/dbraw/zinc/33/83/07/1044338307.db2.gz AZQRAGYIHLYFJV-URVUXULASA-N 1 3 370.541 2.634 20 0 FFADHO O=c1cccc(CN2CCC[C@]3(CCC[N@H+](CCN4CCCC4)C3)C2)[nH]1 ZINC001280223061 1044417786 /nfs/dbraw/zinc/41/77/86/1044417786.db2.gz HRVMWJRZPAFEQB-NRFANRHFSA-N 1 3 358.530 2.561 20 0 FFADHO O=c1cccc(CN2CCC[C@]3(CCC[N@@H+](CCN4CCCC4)C3)C2)[nH]1 ZINC001280223061 1044417795 /nfs/dbraw/zinc/41/77/95/1044417795.db2.gz HRVMWJRZPAFEQB-NRFANRHFSA-N 1 3 358.530 2.561 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001313872297 1044434556 /nfs/dbraw/zinc/43/45/56/1044434556.db2.gz WDMNSEFNIRVBBU-IKGGRYGDSA-N 1 3 364.582 2.736 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001313872298 1044434862 /nfs/dbraw/zinc/43/48/62/1044434862.db2.gz WDMNSEFNIRVBBU-ULQDDVLXSA-N 1 3 364.582 2.736 20 0 FFADHO CCc1onc(C)c1CNC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001316703431 1044517770 /nfs/dbraw/zinc/51/77/70/1044517770.db2.gz FYSODUIMRXVVGI-WBVHZDCISA-N 1 3 364.534 2.604 20 0 FFADHO C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CCN3CCCc2ccccc2)CC1 ZINC001280278760 1044529351 /nfs/dbraw/zinc/52/93/51/1044529351.db2.gz RCWRRBLGVSHZEY-KNQAVFIVSA-N 1 3 355.526 2.636 20 0 FFADHO CCN1CCN(c2ccc(-c3ccn4cnc(C5C[NH2+]C5)c4c3)cc2)CC1 ZINC001241744233 1044584140 /nfs/dbraw/zinc/58/41/40/1044584140.db2.gz ZFUOHUHEHGFSCB-UHFFFAOYSA-N 1 3 361.493 2.830 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001317798594 1045141492 /nfs/dbraw/zinc/14/14/92/1045141492.db2.gz YAMABMZVGGKDFG-FQEVSTJZSA-N 1 3 374.598 2.862 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001317798594 1045141496 /nfs/dbraw/zinc/14/14/96/1045141496.db2.gz YAMABMZVGGKDFG-FQEVSTJZSA-N 1 3 374.598 2.862 20 0 FFADHO CC(C)(C)N1CCN(c2nnc(C3CC3)n2CC[NH+]2CCCCC2)CC1 ZINC001287042952 1047203269 /nfs/dbraw/zinc/20/32/69/1047203269.db2.gz JXEVISADUVPFGN-UHFFFAOYSA-N 1 3 360.550 2.562 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328715194 1048433754 /nfs/dbraw/zinc/43/37/54/1048433754.db2.gz XVHSFWUIILVDEW-UHFFFAOYSA-N 1 3 370.541 2.610 20 0 FFADHO CCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC1CC[NH+](C2CC2)CC1 ZINC001292907474 1049434390 /nfs/dbraw/zinc/43/43/90/1049434390.db2.gz SOFWCXNJWZTTQD-IAGOWNOFSA-N 1 3 374.577 2.634 20 0 FFADHO CCC[N@H+](CC)CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001294516216 1049762820 /nfs/dbraw/zinc/76/28/20/1049762820.db2.gz ONRBHTNPJDXNER-IRXDYDNUSA-N 1 3 362.566 2.806 20 0 FFADHO CCC[N@@H+](CC)CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001294516216 1049762825 /nfs/dbraw/zinc/76/28/25/1049762825.db2.gz ONRBHTNPJDXNER-IRXDYDNUSA-N 1 3 362.566 2.806 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)C[N@@H+]2C1 ZINC001294886242 1049826060 /nfs/dbraw/zinc/82/60/60/1049826060.db2.gz SVNVWDFJXPYQNG-PBASOCQRSA-N 1 3 355.526 2.840 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)C[N@H+]2C1 ZINC001294886242 1049826074 /nfs/dbraw/zinc/82/60/74/1049826074.db2.gz SVNVWDFJXPYQNG-PBASOCQRSA-N 1 3 355.526 2.840 20 0 FFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H](NCc3cccc(F)c3F)C2)CC1 ZINC001316658575 1049921965 /nfs/dbraw/zinc/92/19/65/1049921965.db2.gz ZCDIUTZZAMBYEH-GOEBONIOSA-N 1 3 365.468 2.681 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)c1csc([C@H](C)N)n1)N1CCCC1 ZINC001341629717 1050256148 /nfs/dbraw/zinc/25/61/48/1050256148.db2.gz JFVSHLHQRBXILI-BBRMVZONSA-N 1 3 374.510 2.738 20 0 FFADHO COc1ccccc1[C@H](CNC(=O)c1csc([C@H](C)N)n1)[NH+]1CCCC1 ZINC001341629717 1050256164 /nfs/dbraw/zinc/25/61/64/1050256164.db2.gz JFVSHLHQRBXILI-BBRMVZONSA-N 1 3 374.510 2.738 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2c(c1)OCC[NH2+]C2 ZINC001341629587 1050256191 /nfs/dbraw/zinc/25/61/91/1050256191.db2.gz HSZKRVNNKFFWQP-QGZVFWFLSA-N 1 3 371.506 2.797 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001341639210 1050265968 /nfs/dbraw/zinc/26/59/68/1050265968.db2.gz ZTMGJZNTHQUHAL-QZTJIDSGSA-N 1 3 357.498 2.621 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)c2cccc3c2OCCNC3)[NH+](C)C)cc1 ZINC001341658560 1050284430 /nfs/dbraw/zinc/28/44/30/1050284430.db2.gz HAWWZSPOSQTLOG-LJQANCHMSA-N 1 3 353.466 2.510 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C[C@H]3COCCN3)c3ccccc32)CC1 ZINC001342000825 1050597775 /nfs/dbraw/zinc/59/77/75/1050597775.db2.gz NEBHHFCAPRNNIN-MOPGFXCFSA-N 1 3 371.525 2.616 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc2c(c1)OCCNC2 ZINC001340339063 1050736882 /nfs/dbraw/zinc/73/68/82/1050736882.db2.gz CZILLPSXUJGVBU-UHFFFAOYSA-N 1 3 367.493 2.893 20 0 FFADHO CN(C(=O)c1ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc1)[C@@H]1CCCN(C)C1 ZINC001340873270 1051206279 /nfs/dbraw/zinc/20/62/79/1051206279.db2.gz QPHPCERAILTEQA-MSOLQXFVSA-N 1 3 374.529 2.555 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21)[NH+](CC)CC ZINC001342757750 1051373418 /nfs/dbraw/zinc/37/34/18/1051373418.db2.gz NQSUASYEJLLWOT-ZHALLVOQSA-N 1 3 359.514 2.616 20 0 FFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342758639 1051374463 /nfs/dbraw/zinc/37/44/63/1051374463.db2.gz RECCBPQRFUHZMB-SOLBZPMBSA-N 1 3 359.514 2.520 20 0 FFADHO CC1([NH+]2CCOCC2)CCC(N[C@H](CO)c2ccc(F)cc2F)CC1 ZINC001308878118 1052511161 /nfs/dbraw/zinc/51/11/61/1052511161.db2.gz URAARLFALCKWNF-ZCDLSOSASA-N 1 3 354.441 2.621 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001335359351 1053314187 /nfs/dbraw/zinc/31/41/87/1053314187.db2.gz BBJOAUSCJHIEMX-VQIMIIECSA-N 1 3 362.543 2.813 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C2CCOCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001335413696 1053346876 /nfs/dbraw/zinc/34/68/76/1053346876.db2.gz RQGVDFCNJHRIJH-SFHVURJKSA-N 1 3 372.431 2.972 20 0 FFADHO COc1cc(NC(=O)CCNCC[C@H](C)[NH+](C)C)c(OC)cc1Cl ZINC001335421319 1053351764 /nfs/dbraw/zinc/35/17/64/1053351764.db2.gz KRRKYSGOOIZIKN-LBPRGKRZSA-N 1 3 357.882 2.616 20 0 FFADHO COc1cc(NC(=O)CC[NH2+]CC[C@H](C)N(C)C)c(OC)cc1Cl ZINC001335421319 1053351781 /nfs/dbraw/zinc/35/17/81/1053351781.db2.gz KRRKYSGOOIZIKN-LBPRGKRZSA-N 1 3 357.882 2.616 20 0 FFADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H](n2cncn2)C1 ZINC001346870328 1053397158 /nfs/dbraw/zinc/39/71/58/1053397158.db2.gz XGXTVABYFMHHRZ-JRGCBEDISA-N 1 3 368.529 2.905 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+])c1ccsc1 ZINC001335929125 1053650562 /nfs/dbraw/zinc/65/05/62/1053650562.db2.gz IGYIXIUWTREWLQ-JZXOWHBKSA-N 1 3 350.532 2.654 20 0 FFADHO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@](C)(O)c1ccccc1 ZINC001336819221 1054255407 /nfs/dbraw/zinc/25/54/07/1054255407.db2.gz FGINNFSJEMUBQQ-NYVOZVTQSA-N 1 3 354.494 2.509 20 0 FFADHO C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@](C)(O)c1ccccc1 ZINC001336819221 1054255415 /nfs/dbraw/zinc/25/54/15/1054255415.db2.gz FGINNFSJEMUBQQ-NYVOZVTQSA-N 1 3 354.494 2.509 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC001349448387 1055267660 /nfs/dbraw/zinc/26/76/60/1055267660.db2.gz ZMVHPFBVTTXVCT-IPMKNSEASA-N 1 3 353.551 2.504 20 0 FFADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC001349448387 1055267672 /nfs/dbraw/zinc/26/76/72/1055267672.db2.gz ZMVHPFBVTTXVCT-IPMKNSEASA-N 1 3 353.551 2.504 20 0 FFADHO Cc1ccc(CNC(=[NH2+])NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000849061034 1055615278 /nfs/dbraw/zinc/61/52/78/1055615278.db2.gz DJOLINLFTBMVCU-UHFFFAOYSA-N 1 3 365.525 2.557 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@H+](CC)C3)cc2)CC1 ZINC001338618156 1055673017 /nfs/dbraw/zinc/67/30/17/1055673017.db2.gz HIUHAPIRIVFYSI-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@@H+](CC)C3)cc2)CC1 ZINC001338618156 1055673021 /nfs/dbraw/zinc/67/30/21/1055673021.db2.gz HIUHAPIRIVFYSI-GOSISDBHSA-N 1 3 373.545 2.682 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)c2cnc(C3CC[NH2+]CC3)o2)N(C)C)cc1 ZINC001357325753 1055864410 /nfs/dbraw/zinc/86/44/10/1055864410.db2.gz CVIRHCRPNAJQNQ-GOSISDBHSA-N 1 3 370.497 2.737 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001352869556 1055882578 /nfs/dbraw/zinc/88/25/78/1055882578.db2.gz WZEXOKWHMQMRMV-GOSISDBHSA-N 1 3 353.457 2.728 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C3(C4CC[NH2+]CC4)CC3)c(C)c2)CC1 ZINC001357430039 1055903282 /nfs/dbraw/zinc/90/32/82/1055903282.db2.gz BVMBZNBUHFKZKR-UHFFFAOYSA-N 1 3 370.541 2.855 20 0 FFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001358069392 1056129084 /nfs/dbraw/zinc/12/90/84/1056129084.db2.gz SPKCRHBPGZZBOJ-SOLBZPMBSA-N 1 3 357.498 2.621 20 0 FFADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@@H](O)c1ccccn1)c1ccccc1O2 ZINC001353271666 1056249287 /nfs/dbraw/zinc/24/92/87/1056249287.db2.gz CPEJTYJHJOMHQD-RBUKOAKNSA-N 1 3 353.466 2.693 20 0 FFADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)OCCNC3)c1 ZINC001353508202 1056472835 /nfs/dbraw/zinc/47/28/35/1056472835.db2.gz JNCPOPVANYNXGR-UHFFFAOYSA-N 1 3 353.466 2.550 20 0 FFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)OCCNC3)c1 ZINC001353508202 1056472841 /nfs/dbraw/zinc/47/28/41/1056472841.db2.gz JNCPOPVANYNXGR-UHFFFAOYSA-N 1 3 353.466 2.550 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C3CCOCC3)CC2)CC1 ZINC000847984130 1058567884 /nfs/dbraw/zinc/56/78/84/1058567884.db2.gz JIQLJXHGDOCACX-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC001502247461 1058791051 /nfs/dbraw/zinc/79/10/51/1058791051.db2.gz LQIPHQZLSBJMFI-IRXDYDNUSA-N 1 3 362.566 2.770 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC[N@H+](CC)C2CC2)C[C@H]1C ZINC001502256270 1058793093 /nfs/dbraw/zinc/79/30/93/1058793093.db2.gz WPXNLAAWBCSBGA-SJORKVTESA-N 1 3 374.577 2.949 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CC[N@@H+](CC)C2CC2)C[C@H]1C ZINC001502256270 1058793113 /nfs/dbraw/zinc/79/31/13/1058793113.db2.gz WPXNLAAWBCSBGA-SJORKVTESA-N 1 3 374.577 2.949 20 0 FFADHO CC(C)(C(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1)c1cnc[nH]1 ZINC001354683650 1059360520 /nfs/dbraw/zinc/36/05/20/1059360520.db2.gz PVEKUXPIQVVJIJ-UHFFFAOYSA-N 1 3 352.442 2.669 20 0 FFADHO CCCCCCN(C)CC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC001454063909 1059441500 /nfs/dbraw/zinc/44/15/00/1059441500.db2.gz NYTLHSNGTAUPCK-GOSISDBHSA-N 1 3 353.551 2.600 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc(Cl)n1 ZINC001355222491 1060004750 /nfs/dbraw/zinc/00/47/50/1060004750.db2.gz VNFITCMTYOUZDH-ABSDTBQOSA-N 1 3 372.900 2.609 20 0 FFADHO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001547423942 1071955523 /nfs/dbraw/zinc/95/55/23/1071955523.db2.gz VHFHMKNSSXBLPF-QGZVFWFLSA-N 1 3 364.582 2.875 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001547635134 1071979942 /nfs/dbraw/zinc/97/99/42/1071979942.db2.gz CJBYOESKNXUOAQ-BZSNNMDCSA-N 1 3 362.566 2.770 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001547635134 1071979951 /nfs/dbraw/zinc/97/99/51/1071979951.db2.gz CJBYOESKNXUOAQ-BZSNNMDCSA-N 1 3 362.566 2.770 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(C)nc2C2CCCCC2)CC1 ZINC001461171908 1061236136 /nfs/dbraw/zinc/23/61/36/1061236136.db2.gz GQRZJVLSZSQEKI-SFHVURJKSA-N 1 3 361.578 2.831 20 0 FFADHO CC(C)c1nnc(N2CCN(CC3CC3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001359719926 1061701282 /nfs/dbraw/zinc/70/12/82/1061701282.db2.gz BXAQNDBDYGAGCN-UHFFFAOYSA-N 1 3 362.566 2.664 20 0 FFADHO CC(C)c1nnc(N2CCN(CC3CC3)CC2)n1CCC[N@H+](C)C(C)C ZINC001359719926 1061701303 /nfs/dbraw/zinc/70/13/03/1061701303.db2.gz BXAQNDBDYGAGCN-UHFFFAOYSA-N 1 3 362.566 2.664 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001478604880 1062063021 /nfs/dbraw/zinc/06/30/21/1062063021.db2.gz LUQHNALSHRJXDZ-WFASDCNBSA-N 1 3 360.424 2.557 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)N(C)C)cc1 ZINC001478769599 1062109004 /nfs/dbraw/zinc/10/90/04/1062109004.db2.gz JEDPEYZXTGPPFA-DBVUQKKJSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)N(C)C)cc1 ZINC001478769599 1062109011 /nfs/dbraw/zinc/10/90/11/1062109011.db2.gz JEDPEYZXTGPPFA-DBVUQKKJSA-N 1 3 360.546 2.880 20 0 FFADHO CC(C)[NH+]1CCC(CCNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC001479054015 1062205357 /nfs/dbraw/zinc/20/53/57/1062205357.db2.gz JMANCEIBNPMKQR-UHFFFAOYSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001479159429 1062262060 /nfs/dbraw/zinc/26/20/60/1062262060.db2.gz XGZYELAAKXIGPX-IBGZPJMESA-N 1 3 360.546 2.989 20 0 FFADHO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001479159429 1062262073 /nfs/dbraw/zinc/26/20/73/1062262073.db2.gz XGZYELAAKXIGPX-IBGZPJMESA-N 1 3 360.546 2.989 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CCN1Cc1ccccc1 ZINC001479490881 1062476383 /nfs/dbraw/zinc/47/63/83/1062476383.db2.gz OFANTHZZUVOVDO-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CCN1Cc1ccccc1 ZINC001479490881 1062476386 /nfs/dbraw/zinc/47/63/86/1062476386.db2.gz OFANTHZZUVOVDO-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC001479490881 1062476391 /nfs/dbraw/zinc/47/63/91/1062476391.db2.gz OFANTHZZUVOVDO-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C)CC[N@H+]1Cc1ccccc1 ZINC001479490881 1062476394 /nfs/dbraw/zinc/47/63/94/1062476394.db2.gz OFANTHZZUVOVDO-AZUAARDMSA-N 1 3 358.530 2.777 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCCCF)CC[C@@H]3C2)CC1 ZINC001479673911 1062792623 /nfs/dbraw/zinc/79/26/23/1062792623.db2.gz YHXHLEOSPPLPQY-MOPGFXCFSA-N 1 3 353.526 2.638 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCCCF)CC[C@@H]3C2)CC1 ZINC001479673911 1062792641 /nfs/dbraw/zinc/79/26/41/1062792641.db2.gz YHXHLEOSPPLPQY-MOPGFXCFSA-N 1 3 353.526 2.638 20 0 FFADHO CC[C@H](F)CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001479674508 1062796717 /nfs/dbraw/zinc/79/67/17/1062796717.db2.gz GDBHVAKIUPPISS-QYZOEREBSA-N 1 3 353.526 2.781 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001441309051 1063420132 /nfs/dbraw/zinc/42/01/32/1063420132.db2.gz JLAUACJIVYKOTP-KRWDZBQOSA-N 1 3 353.576 2.585 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001441309051 1063420141 /nfs/dbraw/zinc/42/01/41/1063420141.db2.gz JLAUACJIVYKOTP-KRWDZBQOSA-N 1 3 353.576 2.585 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ncccc3C)CCCC2)CC[N@@H+]1C ZINC001495915761 1063558010 /nfs/dbraw/zinc/55/80/10/1063558010.db2.gz WTDQULIHLPHJMK-PKOBYXMFSA-N 1 3 358.530 2.639 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ncccc3C)CCCC2)CC[N@H+]1C ZINC001495915761 1063558025 /nfs/dbraw/zinc/55/80/25/1063558025.db2.gz WTDQULIHLPHJMK-PKOBYXMFSA-N 1 3 358.530 2.639 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC001497586487 1063728971 /nfs/dbraw/zinc/72/89/71/1063728971.db2.gz VTHDWCCDWIAMRO-JFLUXCQXSA-N 1 3 361.917 2.930 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC001497586487 1063728978 /nfs/dbraw/zinc/72/89/78/1063728978.db2.gz VTHDWCCDWIAMRO-JFLUXCQXSA-N 1 3 361.917 2.930 20 0 FFADHO C[C@@H](C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001498053828 1063790943 /nfs/dbraw/zinc/79/09/43/1063790943.db2.gz UIVMCVMPWDQOSI-XIRDDKMYSA-N 1 3 365.468 2.614 20 0 FFADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC001467668016 1063811750 /nfs/dbraw/zinc/81/17/50/1063811750.db2.gz NMUOMFBVKRBBRH-ZWKOTPCHSA-N 1 3 352.567 2.915 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001467845663 1063867114 /nfs/dbraw/zinc/86/71/14/1063867114.db2.gz JSZZVDGYWFBHAM-BFYDXBDKSA-N 1 3 351.922 2.974 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001470073228 1064252402 /nfs/dbraw/zinc/25/24/02/1064252402.db2.gz NGDVXDMFIOZUSH-PMACEKPBSA-N 1 3 357.542 2.930 20 0 FFADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001470073228 1064252412 /nfs/dbraw/zinc/25/24/12/1064252412.db2.gz NGDVXDMFIOZUSH-PMACEKPBSA-N 1 3 357.542 2.930 20 0 FFADHO CCc1ccc2c(c1)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2 ZINC001470771738 1064446461 /nfs/dbraw/zinc/44/64/61/1064446461.db2.gz KSIVFMJPOPRODP-KRWDZBQOSA-N 1 3 360.546 2.589 20 0 FFADHO CCc1ccc2c(c1)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2 ZINC001470771738 1064446472 /nfs/dbraw/zinc/44/64/72/1064446472.db2.gz KSIVFMJPOPRODP-KRWDZBQOSA-N 1 3 360.546 2.589 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@@H+](C4CC4)C[C@@H](C)C3)C2)cc1 ZINC001471145529 1064578322 /nfs/dbraw/zinc/57/83/22/1064578322.db2.gz SBPQATGREJHFTC-UYAOXDASSA-N 1 3 370.541 2.695 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@H+](C4CC4)C[C@@H](C)C3)C2)cc1 ZINC001471145529 1064578332 /nfs/dbraw/zinc/57/83/32/1064578332.db2.gz SBPQATGREJHFTC-UYAOXDASSA-N 1 3 370.541 2.695 20 0 FFADHO CNC(=O)[C@H]1CCC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001473160203 1065209734 /nfs/dbraw/zinc/20/97/34/1065209734.db2.gz IGQDTWDOERUCFD-NRFANRHFSA-N 1 3 357.542 2.789 20 0 FFADHO CNC(=O)[C@H]1CCC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001473160203 1065209749 /nfs/dbraw/zinc/20/97/49/1065209749.db2.gz IGQDTWDOERUCFD-NRFANRHFSA-N 1 3 357.542 2.789 20 0 FFADHO C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@@H](c1ccccc1)N(C)C ZINC001576224736 1078208034 /nfs/dbraw/zinc/20/80/34/1078208034.db2.gz MGQPPJBNFOBCAJ-IERDGZPVSA-N 1 3 351.494 2.796 20 0 FFADHO CCCCn1nc(C)c(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1Cl ZINC001473994247 1065436538 /nfs/dbraw/zinc/43/65/38/1065436538.db2.gz VHRBKUJEXONYSH-MRXNPFEDSA-N 1 3 367.969 2.903 20 0 FFADHO C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@H](c1ccccc1)N(C)C ZINC001576224737 1078207845 /nfs/dbraw/zinc/20/78/45/1078207845.db2.gz MGQPPJBNFOBCAJ-IIBYNOLFSA-N 1 3 351.494 2.796 20 0 FFADHO COC(=O)C[C@@H](Cc1ccccc1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001474739640 1065594924 /nfs/dbraw/zinc/59/49/24/1065594924.db2.gz CIWGEJQQBIMMAP-SNCIUUNGSA-N 1 3 374.525 2.784 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CN1Cc1ccccc1 ZINC001576617585 1078249732 /nfs/dbraw/zinc/24/97/32/1078249732.db2.gz ROUDDFRSTKHUOC-RDPOXOKHSA-N 1 3 356.514 2.562 20 0 FFADHO CC[C@@H](C)N[C@@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1)c1ccco1 ZINC001577003853 1078293161 /nfs/dbraw/zinc/29/31/61/1078293161.db2.gz PYCPFDKVGFAYGO-LAVAIGHBSA-N 1 3 355.482 2.884 20 0 FFADHO CC[C@H](CNC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC001577084951 1078302317 /nfs/dbraw/zinc/30/23/17/1078302317.db2.gz RXRIMJJBBKKIDN-DBVUQKKJSA-N 1 3 358.530 2.592 20 0 FFADHO CC[C@@H]1CN(c2nnc(C)n2C[C@H](c2cccs2)N(C)C)CC[C@H]1[NH3+] ZINC001577293541 1078332157 /nfs/dbraw/zinc/33/21/57/1078332157.db2.gz ZYJXVABMFLQLNO-BZUAXINKSA-N 1 3 362.547 2.515 20 0 FFADHO CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001577658132 1078385331 /nfs/dbraw/zinc/38/53/31/1078385331.db2.gz XIPNGSAIGHYEQX-KRWDZBQOSA-N 1 3 374.533 2.877 20 0 FFADHO CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001577657277 1078385388 /nfs/dbraw/zinc/38/53/88/1078385388.db2.gz DQWUXBCJSKZCEG-AEFFLSMTSA-N 1 3 374.508 2.643 20 0 FFADHO CCN(CC)[C@H](Cn1c(C2CC2)nnc1N1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC001577684529 1078387924 /nfs/dbraw/zinc/38/79/24/1078387924.db2.gz CTXLPFSBNBOELZ-DOTOQJQBSA-N 1 3 372.517 2.630 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC=C(C)C)C[C@H]1C ZINC001577760124 1078397435 /nfs/dbraw/zinc/39/74/35/1078397435.db2.gz MOOKUWFHEAVLLE-TVFCKZIOSA-N 1 3 360.550 2.758 20 0 FFADHO CC[NH2+]CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001577857956 1078408240 /nfs/dbraw/zinc/40/82/40/1078408240.db2.gz MXJKEQWYMLHUAC-HZPDHXFCSA-N 1 3 374.508 2.613 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)cc1 ZINC001579691394 1078663435 /nfs/dbraw/zinc/66/34/35/1078663435.db2.gz ZQEMAXHPKIOCNX-PMACEKPBSA-N 1 3 355.457 2.567 20 0 FFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580703551 1078849003 /nfs/dbraw/zinc/84/90/03/1078849003.db2.gz SMGIKRAXPCDPCT-PMACEKPBSA-N 1 3 355.526 2.937 20 0 FFADHO O=C1C[C@H](NCc2cccc3c2CC[NH2+]C3)CN1c1c(F)cccc1F ZINC001580837400 1078875296 /nfs/dbraw/zinc/87/52/96/1078875296.db2.gz FZKNXZAKRFUCGC-HNNXBMFYSA-N 1 3 357.404 2.506 20 0 FFADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001549884978 1074065440 /nfs/dbraw/zinc/06/54/40/1074065440.db2.gz MMDKUNDUYJMWDQ-CBRIZSKPSA-N 1 3 359.489 2.685 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)NC3CC([NH+]4CCCC4)C3)cc2)CC1 ZINC001549934464 1074084853 /nfs/dbraw/zinc/08/48/53/1074084853.db2.gz HJSQSNYHUUZLHE-UHFFFAOYSA-N 1 3 370.541 2.574 20 0 FFADHO O=C(NC[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001550080711 1074140243 /nfs/dbraw/zinc/14/02/43/1074140243.db2.gz BFPLEWYDMZRQQG-QZTJIDSGSA-N 1 3 359.489 2.544 20 0 FFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3ccc(C(F)F)nc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422650 1074260612 /nfs/dbraw/zinc/26/06/12/1074260612.db2.gz BDDIOWILLIODJG-DFEOGRTESA-N 1 3 353.457 2.979 20 0 FFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3ccc(C(F)F)nc3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550422650 1074260615 /nfs/dbraw/zinc/26/06/15/1074260615.db2.gz BDDIOWILLIODJG-DFEOGRTESA-N 1 3 353.457 2.979 20 0 FFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc([C@H]3CCCO3)s1)C2 ZINC001550422524 1074260884 /nfs/dbraw/zinc/26/08/84/1074260884.db2.gz XXYQUGXKTSILHW-LVEJAMMSSA-N 1 3 365.543 2.564 20 0 FFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc([C@H]3CCCO3)s1)C2 ZINC001550422524 1074260891 /nfs/dbraw/zinc/26/08/91/1074260891.db2.gz XXYQUGXKTSILHW-LVEJAMMSSA-N 1 3 365.543 2.564 20 0 FFADHO Cn1nccc1[C@H]1[C@@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCCN1C ZINC001550473872 1074291433 /nfs/dbraw/zinc/29/14/33/1074291433.db2.gz RXNRSGHVSBCNQQ-RCLSDMTESA-N 1 3 359.562 2.561 20 0 FFADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC001550741117 1074454644 /nfs/dbraw/zinc/45/46/44/1074454644.db2.gz RDQSJJXCAGYKSR-MOPGFXCFSA-N 1 3 372.538 2.755 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCC2(C[C@@H]2[NH3+])CC1 ZINC001551549305 1074753417 /nfs/dbraw/zinc/75/34/17/1074753417.db2.gz JPTMTGVNTVOZCJ-DOLPWQRDSA-N 1 3 370.541 2.952 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCC2(C[C@H]2[NH3+])CC1 ZINC001551549303 1074753586 /nfs/dbraw/zinc/75/35/86/1074753586.db2.gz JPTMTGVNTVOZCJ-ACIXJAQOSA-N 1 3 370.541 2.952 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC001552157321 1075006191 /nfs/dbraw/zinc/00/61/91/1075006191.db2.gz DUMGPDPVCDJHSP-NJYVYQBISA-N 1 3 355.526 2.575 20 0 FFADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C[C@H](C)O1 ZINC001552919450 1075172643 /nfs/dbraw/zinc/17/26/43/1075172643.db2.gz MWIMMPNKVGXUGI-LLGFUMIMSA-N 1 3 371.525 2.569 20 0 FFADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C[C@H](C)O1 ZINC001552919450 1075172646 /nfs/dbraw/zinc/17/26/46/1075172646.db2.gz MWIMMPNKVGXUGI-LLGFUMIMSA-N 1 3 371.525 2.569 20 0 FFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001552963970 1075179736 /nfs/dbraw/zinc/17/97/36/1075179736.db2.gz ONEVTSMYVGDQKP-ZHALLVOQSA-N 1 3 355.486 2.586 20 0 FFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001552963970 1075179741 /nfs/dbraw/zinc/17/97/41/1075179741.db2.gz ONEVTSMYVGDQKP-ZHALLVOQSA-N 1 3 355.486 2.586 20 0 FFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001552963970 1075179744 /nfs/dbraw/zinc/17/97/44/1075179744.db2.gz ONEVTSMYVGDQKP-ZHALLVOQSA-N 1 3 355.486 2.586 20 0 FFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001553309050 1075279717 /nfs/dbraw/zinc/27/97/17/1075279717.db2.gz PBLKVRJKADAWFQ-PKOBYXMFSA-N 1 3 354.454 2.503 20 0 FFADHO CC[C@H](CNC(=O)N1CC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC001553428034 1075305751 /nfs/dbraw/zinc/30/57/51/1075305751.db2.gz UCPZKWLIDLOGPR-PWRODBHTSA-N 1 3 370.541 2.607 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([C@H]3CCC[NH2+]3)C2)N2CCCC2)cc1 ZINC001553436458 1075307315 /nfs/dbraw/zinc/30/73/15/1075307315.db2.gz BSDRNKRIHFJKMC-HBMCJLEFSA-N 1 3 370.541 2.915 20 0 FFADHO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001558178461 1075957295 /nfs/dbraw/zinc/95/72/95/1075957295.db2.gz ICEMKZSQVDKJEJ-SFHVURJKSA-N 1 3 367.484 2.944 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCSC[C@H]1C1CC1)c1ccccc1 ZINC001560188629 1076244019 /nfs/dbraw/zinc/24/40/19/1076244019.db2.gz QJNPDJYJGOOFGD-MOPGFXCFSA-N 1 3 361.555 2.623 20 0 FFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCSC[C@H]1C1CC1)c1ccccc1 ZINC001560188629 1076244023 /nfs/dbraw/zinc/24/40/23/1076244023.db2.gz QJNPDJYJGOOFGD-MOPGFXCFSA-N 1 3 361.555 2.623 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([N@H+](C)CC)C1)c1ccsc1 ZINC001563459318 1076556211 /nfs/dbraw/zinc/55/62/11/1076556211.db2.gz LJISNHGVTZFQCS-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([N@@H+](C)CC)C1)c1ccsc1 ZINC001563459318 1076556215 /nfs/dbraw/zinc/55/62/15/1076556215.db2.gz LJISNHGVTZFQCS-DLBZAZTESA-N 1 3 352.548 2.867 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC001564816623 1076661683 /nfs/dbraw/zinc/66/16/83/1076661683.db2.gz VYGZIRHCOJACDW-WMZOPIPTSA-N 1 3 364.559 2.795 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC001564816623 1076661685 /nfs/dbraw/zinc/66/16/85/1076661685.db2.gz VYGZIRHCOJACDW-WMZOPIPTSA-N 1 3 364.559 2.795 20 0 FFADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1nsc2ccccc12 ZINC001567216806 1077005761 /nfs/dbraw/zinc/00/57/61/1077005761.db2.gz ZGMASORBBNYDHB-RBSFLKMASA-N 1 3 360.527 2.621 20 0 FFADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1nsc2ccccc12 ZINC001567216806 1077005765 /nfs/dbraw/zinc/00/57/65/1077005765.db2.gz ZGMASORBBNYDHB-RBSFLKMASA-N 1 3 360.527 2.621 20 0 FFADHO CC(C)c1cccc(CN(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001570197702 1077189325 /nfs/dbraw/zinc/18/93/25/1077189325.db2.gz RNPHRANOPXDTLF-IEBWSBKVSA-N 1 3 360.546 2.826 20 0 FFADHO CC(C)c1cccc(CN(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001570197702 1077189328 /nfs/dbraw/zinc/18/93/28/1077189328.db2.gz RNPHRANOPXDTLF-IEBWSBKVSA-N 1 3 360.546 2.826 20 0 FFADHO C[C@H]([NH2+]CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C[NH+](C)C)c1 ZINC001589963134 1080906628 /nfs/dbraw/zinc/90/66/28/1080906628.db2.gz KUFHJMHTHKHWEZ-HNNXBMFYSA-N 1 3 350.470 2.822 20 0 FFADHO C[C@@H](CCCC[NH3+])NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423107088 514043578 /nfs/dbraw/zinc/04/35/78/514043578.db2.gz PFHKWBJXEDYKKM-NSHDSACASA-N 1 3 352.422 2.716 20 0 FFADHO Brc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc2c1OCO2 ZINC000030907021 249358570 /nfs/dbraw/zinc/35/85/70/249358570.db2.gz IETZANLVDZMWPW-LLVKDONJSA-N 1 3 353.260 2.752 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cccc(OCCN(C)C)c1 ZINC000090802122 249914470 /nfs/dbraw/zinc/91/44/70/249914470.db2.gz KVAYYEYCFVXHFI-MJGOQNOKSA-N 1 3 354.498 2.952 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)N(C)C)cc1 ZINC000153510069 251146113 /nfs/dbraw/zinc/14/61/13/251146113.db2.gz PHGIFNVGSIUEPB-RTWAWAEBSA-N 1 3 373.541 2.611 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)N(C)C)cc1 ZINC000153510069 251146116 /nfs/dbraw/zinc/14/61/16/251146116.db2.gz PHGIFNVGSIUEPB-RTWAWAEBSA-N 1 3 373.541 2.611 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000267397922 251344669 /nfs/dbraw/zinc/34/46/69/251344669.db2.gz YBUBTKBJUMYFBI-UTKZUKDTSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000267397922 251344672 /nfs/dbraw/zinc/34/46/72/251344672.db2.gz YBUBTKBJUMYFBI-UTKZUKDTSA-N 1 3 370.541 2.823 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000268783341 251380957 /nfs/dbraw/zinc/38/09/57/251380957.db2.gz AMNPDPYJVDJMLM-FYYLOGMGSA-N 1 3 372.601 2.904 20 0 FFADHO CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272491017 252052049 /nfs/dbraw/zinc/05/20/49/252052049.db2.gz WAWYIXNIXMEGLS-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272491017 252052052 /nfs/dbraw/zinc/05/20/52/252052052.db2.gz WAWYIXNIXMEGLS-HKUYNNGSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1=CCN(C)CC1 ZINC000272689014 252102689 /nfs/dbraw/zinc/10/26/89/252102689.db2.gz CAEYFKAQCLXZCM-QGZVFWFLSA-N 1 3 356.514 2.732 20 0 FFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272859932 252149788 /nfs/dbraw/zinc/14/97/88/252149788.db2.gz IDRZSXAAYUTZML-KRWDZBQOSA-N 1 3 358.530 2.930 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272949516 252172095 /nfs/dbraw/zinc/17/20/95/252172095.db2.gz MPFAUAKDMLMJCD-ICSRJNTNSA-N 1 3 370.541 2.800 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272949516 252172098 /nfs/dbraw/zinc/17/20/98/252172098.db2.gz MPFAUAKDMLMJCD-ICSRJNTNSA-N 1 3 370.541 2.800 20 0 FFADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000273301093 252276775 /nfs/dbraw/zinc/27/67/75/252276775.db2.gz RKASUYNIBIDLET-LDQXTDLNSA-N 1 3 374.525 2.872 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000276192235 256079958 /nfs/dbraw/zinc/07/99/58/256079958.db2.gz HPCMDMCPAGTOQF-QUCCMNQESA-N 1 3 360.546 2.880 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1Br ZINC000277026369 256153057 /nfs/dbraw/zinc/15/30/57/256153057.db2.gz DSUSQFCGEOSDHY-BHYGNILZSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1Br ZINC000277026369 256153058 /nfs/dbraw/zinc/15/30/58/256153058.db2.gz DSUSQFCGEOSDHY-BHYGNILZSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cccc(Br)c1 ZINC000277180496 256169264 /nfs/dbraw/zinc/16/92/64/256169264.db2.gz TUVGPXVWSIVPGF-RYQLBKOJSA-N 1 3 367.331 2.817 20 0 FFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cccc(Br)c1 ZINC000277180496 256169265 /nfs/dbraw/zinc/16/92/65/256169265.db2.gz TUVGPXVWSIVPGF-RYQLBKOJSA-N 1 3 367.331 2.817 20 0 FFADHO CCNC(=O)C1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCC1 ZINC000277382194 256191809 /nfs/dbraw/zinc/19/18/09/256191809.db2.gz ITSOOSVQISIYHM-UHFFFAOYSA-N 1 3 372.557 2.613 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000278393665 256307437 /nfs/dbraw/zinc/30/74/37/256307437.db2.gz AVRHETIJSKIZCJ-OAQYLSRUSA-N 1 3 355.526 2.984 20 0 FFADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000278393665 256307439 /nfs/dbraw/zinc/30/74/39/256307439.db2.gz AVRHETIJSKIZCJ-OAQYLSRUSA-N 1 3 355.526 2.984 20 0 FFADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278531314 256322691 /nfs/dbraw/zinc/32/26/91/256322691.db2.gz FBWMWNYFWAAGMC-FCHUYYIVSA-N 1 3 359.558 2.941 20 0 FFADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278531314 256322693 /nfs/dbraw/zinc/32/26/93/256322693.db2.gz FBWMWNYFWAAGMC-FCHUYYIVSA-N 1 3 359.558 2.941 20 0 FFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000286082215 257019168 /nfs/dbraw/zinc/01/91/68/257019168.db2.gz MTTCFZJZQHPGBZ-HNNXBMFYSA-N 1 3 371.447 2.985 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3OC3CC3)CC2)CC1 ZINC000287251703 257079692 /nfs/dbraw/zinc/07/96/92/257079692.db2.gz GITQIKZNYHBXLX-UHFFFAOYSA-N 1 3 357.498 2.516 20 0 FFADHO C[C@H]1[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000287870773 257123633 /nfs/dbraw/zinc/12/36/33/257123633.db2.gz ARZBSHPDSPFWAW-FXAWDEMLSA-N 1 3 358.530 2.633 20 0 FFADHO O[C@@H](Cc1cccc(Cl)c1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000287902118 257128310 /nfs/dbraw/zinc/12/83/10/257128310.db2.gz UWPUZZDJBVTULN-IBGZPJMESA-N 1 3 366.933 2.820 20 0 FFADHO C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000287933050 257131181 /nfs/dbraw/zinc/13/11/81/257131181.db2.gz GQEOSFGOLCFUIR-QBAGFEOCSA-N 1 3 358.530 2.944 20 0 FFADHO C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000287933050 257131182 /nfs/dbraw/zinc/13/11/82/257131182.db2.gz GQEOSFGOLCFUIR-QBAGFEOCSA-N 1 3 358.530 2.944 20 0 FFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287689986 257102586 /nfs/dbraw/zinc/10/25/86/257102586.db2.gz NDSFXIJMXTXIAG-NVXWUHKLSA-N 1 3 360.420 2.869 20 0 FFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288377405 257181625 /nfs/dbraw/zinc/18/16/25/257181625.db2.gz LKVBWHLMKWXBPT-XLIONFOSSA-N 1 3 371.529 2.566 20 0 FFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000288678079 257217360 /nfs/dbraw/zinc/21/73/60/257217360.db2.gz WYDVZVGQFFPBDX-GDBMZVCRSA-N 1 3 361.408 2.612 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000289428053 257280718 /nfs/dbraw/zinc/28/07/18/257280718.db2.gz KDOSOTVJSKDUPY-UHFFFAOYSA-N 1 3 369.557 2.947 20 0 FFADHO COc1ccsc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000289936453 257307631 /nfs/dbraw/zinc/30/76/31/257307631.db2.gz WUWMWFHUISUJGT-UHFFFAOYSA-N 1 3 365.543 2.571 20 0 FFADHO COC[C@@H](Cc1ccccc1)NCc1ccncc1OCCC[NH+](C)C ZINC000290232120 257321594 /nfs/dbraw/zinc/32/15/94/257321594.db2.gz ISIGVBUITYQKGO-HXUWFJFHSA-N 1 3 357.498 2.759 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290611048 257346229 /nfs/dbraw/zinc/34/62/29/257346229.db2.gz WOTODWXCTWJHTO-IUODEOHRSA-N 1 3 351.292 2.869 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290611048 257346230 /nfs/dbraw/zinc/34/62/30/257346230.db2.gz WOTODWXCTWJHTO-IUODEOHRSA-N 1 3 351.292 2.869 20 0 FFADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291161113 257388906 /nfs/dbraw/zinc/38/89/06/257388906.db2.gz MBQRPKJVWOTRPL-SFHVURJKSA-N 1 3 373.463 2.697 20 0 FFADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000311382033 258115659 /nfs/dbraw/zinc/11/56/59/258115659.db2.gz BJYRGVVVEZDQIL-WMZOPIPTSA-N 1 3 373.522 2.507 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377282486 512199727 /nfs/dbraw/zinc/19/97/27/512199727.db2.gz GGZQXKMVEZACRW-BHIYHBOVSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000377282486 512199733 /nfs/dbraw/zinc/19/97/33/512199733.db2.gz GGZQXKMVEZACRW-BHIYHBOVSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000410343436 512242175 /nfs/dbraw/zinc/24/21/75/512242175.db2.gz GJWVIFFBJNOCDJ-SFHVURJKSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000410343436 512242178 /nfs/dbraw/zinc/24/21/78/512242178.db2.gz GJWVIFFBJNOCDJ-SFHVURJKSA-N 1 3 358.530 2.908 20 0 FFADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043037468 506688598 /nfs/dbraw/zinc/68/85/98/506688598.db2.gz ZLLHDBWQSKAJBQ-HXUWFJFHSA-N 1 3 358.530 2.873 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000058212934 507386905 /nfs/dbraw/zinc/38/69/05/507386905.db2.gz NQBWIXPCSBPBKN-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000058212934 507386914 /nfs/dbraw/zinc/38/69/14/507386914.db2.gz NQBWIXPCSBPBKN-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000069774303 507557996 /nfs/dbraw/zinc/55/79/96/507557996.db2.gz RITXSRDIZPMTGF-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000069774303 507558001 /nfs/dbraw/zinc/55/80/01/507558001.db2.gz RITXSRDIZPMTGF-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO O=C(NC1CCN(C2CC2)CC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528962 507674416 /nfs/dbraw/zinc/67/44/16/507674416.db2.gz RABGQATZOITOON-UHFFFAOYSA-N 1 3 362.562 2.957 20 0 FFADHO Cc1ccccc1SCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802504 507715514 /nfs/dbraw/zinc/71/55/14/507715514.db2.gz GQGWKACPQMGQAB-UHFFFAOYSA-N 1 3 361.555 2.762 20 0 FFADHO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCCN(C)C2)c2cccs2)CC1 ZINC000072015939 507736749 /nfs/dbraw/zinc/73/67/49/507736749.db2.gz RTGXTAWJKKXVGA-DLBZAZTESA-N 1 3 364.559 2.915 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000051299493 507760093 /nfs/dbraw/zinc/76/00/93/507760093.db2.gz UKDWZYXZBDYOEY-PMACEKPBSA-N 1 3 374.504 2.539 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]3c3ccccc3)CC2)CC1 ZINC000051760230 507783080 /nfs/dbraw/zinc/78/30/80/507783080.db2.gz QINOCCOUDYQZOS-FQEVSTJZSA-N 1 3 356.514 2.702 20 0 FFADHO C[C@@H](c1ccccc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759460 507783223 /nfs/dbraw/zinc/78/32/23/507783223.db2.gz IKHMOFDOSJEELP-KRWDZBQOSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051759541 507783437 /nfs/dbraw/zinc/78/34/37/507783437.db2.gz UCRCKAIABYJOHS-AWEZNQCLSA-N 1 3 350.532 2.667 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc(Cl)c3)CC2)CC1 ZINC000051758409 507783722 /nfs/dbraw/zinc/78/37/22/507783722.db2.gz QMGBBCWRAPMZIH-UHFFFAOYSA-N 1 3 364.921 2.698 20 0 FFADHO CN1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000064237760 507786616 /nfs/dbraw/zinc/78/66/16/507786616.db2.gz SOLLQUHTGXHWPS-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000108589803 507907367 /nfs/dbraw/zinc/90/73/67/507907367.db2.gz QHMHQMZIPWLKGP-OAQYLSRUSA-N 1 3 372.557 2.678 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000108589803 507907370 /nfs/dbraw/zinc/90/73/70/507907370.db2.gz QHMHQMZIPWLKGP-OAQYLSRUSA-N 1 3 372.557 2.678 20 0 FFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000074008117 507976739 /nfs/dbraw/zinc/97/67/39/507976739.db2.gz IDNKDTGOSTZPFT-ROUUACIJSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000074008117 507976743 /nfs/dbraw/zinc/97/67/43/507976743.db2.gz IDNKDTGOSTZPFT-ROUUACIJSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C[NH+]1CCCC1 ZINC000079789484 508001567 /nfs/dbraw/zinc/00/15/67/508001567.db2.gz MMRAWKNXSNAJDR-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000074316934 508010954 /nfs/dbraw/zinc/01/09/54/508010954.db2.gz DLKGSGVDFJQAAD-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000074316934 508010956 /nfs/dbraw/zinc/01/09/56/508010956.db2.gz DLKGSGVDFJQAAD-SFTDATJTSA-N 1 3 355.526 2.841 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000377652023 512376563 /nfs/dbraw/zinc/37/65/63/512376563.db2.gz VQAITFZHTJJUNR-NRFANRHFSA-N 1 3 370.541 2.529 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000080458090 508074692 /nfs/dbraw/zinc/07/46/92/508074692.db2.gz ANRXADNRPVSLTP-HXUWFJFHSA-N 1 3 358.530 2.777 20 0 FFADHO CC(C)[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000371402186 512378409 /nfs/dbraw/zinc/37/84/09/512378409.db2.gz VHZQJNGISRUQCA-JXFKEZNVSA-N 1 3 372.513 2.989 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc2)CC1 ZINC000081732532 508207513 /nfs/dbraw/zinc/20/75/13/508207513.db2.gz UXWDZJOGISLODE-KRWDZBQOSA-N 1 3 360.546 2.535 20 0 FFADHO CC[N@H+](CCNC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000102011569 508264481 /nfs/dbraw/zinc/26/44/81/508264481.db2.gz XMCUWHYUYJZVGV-UHFFFAOYSA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@@H+](CCNC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000102011569 508264483 /nfs/dbraw/zinc/26/44/83/508264483.db2.gz XMCUWHYUYJZVGV-UHFFFAOYSA-N 1 3 364.559 2.744 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000113594939 508275401 /nfs/dbraw/zinc/27/54/01/508275401.db2.gz GYWMYZHODNRNLW-LJQANCHMSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000113594939 508275405 /nfs/dbraw/zinc/27/54/05/508275405.db2.gz GYWMYZHODNRNLW-LJQANCHMSA-N 1 3 370.541 2.777 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1COC ZINC000077201686 508286351 /nfs/dbraw/zinc/28/63/51/508286351.db2.gz ICQUICAPGTZRDA-GOSISDBHSA-N 1 3 362.518 2.713 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1COC ZINC000077201686 508286354 /nfs/dbraw/zinc/28/63/54/508286354.db2.gz ICQUICAPGTZRDA-GOSISDBHSA-N 1 3 362.518 2.713 20 0 FFADHO CC(C)[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1CCCCC1 ZINC000104341533 508332623 /nfs/dbraw/zinc/33/26/23/508332623.db2.gz PHMCOYYLLNNMTH-FQEVSTJZSA-N 1 3 361.530 2.754 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000105082643 508359741 /nfs/dbraw/zinc/35/97/41/508359741.db2.gz IHXQIVXYXAQAOJ-LEWJYISDSA-N 1 3 372.557 2.819 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000114932474 508359921 /nfs/dbraw/zinc/35/99/21/508359921.db2.gz XXBQQYHCUPBUCL-IBGZPJMESA-N 1 3 358.530 2.553 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000114932474 508359923 /nfs/dbraw/zinc/35/99/23/508359923.db2.gz XXBQQYHCUPBUCL-IBGZPJMESA-N 1 3 358.530 2.553 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000105112537 508361641 /nfs/dbraw/zinc/36/16/41/508361641.db2.gz ATAJXQJSTCYNHU-QGZVFWFLSA-N 1 3 358.530 2.741 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105112537 508361644 /nfs/dbraw/zinc/36/16/44/508361644.db2.gz ATAJXQJSTCYNHU-QGZVFWFLSA-N 1 3 358.530 2.741 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000088507861 508373868 /nfs/dbraw/zinc/37/38/68/508373868.db2.gz JGVCGCDDMPYESS-QGZVFWFLSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000088507861 508373870 /nfs/dbraw/zinc/37/38/70/508373870.db2.gz JGVCGCDDMPYESS-QGZVFWFLSA-N 1 3 364.534 2.863 20 0 FFADHO c1ccc2c(c1)nc(NCCN1CCCC1)nc2NCC[NH+]1CCCC1 ZINC000115214541 508376065 /nfs/dbraw/zinc/37/60/65/508376065.db2.gz FXAMDWWPCHVSFO-UHFFFAOYSA-N 1 3 354.502 2.645 20 0 FFADHO Cc1[nH]c2c(cc(C)cc2CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000077802650 508376594 /nfs/dbraw/zinc/37/65/94/508376594.db2.gz UOUKLKUDGKMXIV-UHFFFAOYSA-N 1 3 373.545 2.728 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000088599404 508377858 /nfs/dbraw/zinc/37/78/58/508377858.db2.gz ZXNXAERRBPBSBU-SFHVURJKSA-N 1 3 362.518 2.617 20 0 FFADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000088599404 508377860 /nfs/dbraw/zinc/37/78/60/508377860.db2.gz ZXNXAERRBPBSBU-SFHVURJKSA-N 1 3 362.518 2.617 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000089209333 508391009 /nfs/dbraw/zinc/39/10/09/508391009.db2.gz ARUKRSCDLSJROI-LJQANCHMSA-N 1 3 373.545 2.718 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000089209333 508391011 /nfs/dbraw/zinc/39/10/11/508391011.db2.gz ARUKRSCDLSJROI-LJQANCHMSA-N 1 3 373.545 2.718 20 0 FFADHO CN(Cc1csc(-c2ccccn2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371423960 512393840 /nfs/dbraw/zinc/39/38/40/512393840.db2.gz LQOVJFYPQRIVRI-GOSISDBHSA-N 1 3 371.554 2.805 20 0 FFADHO Cc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1Br ZINC000133639356 508428223 /nfs/dbraw/zinc/42/82/23/508428223.db2.gz JAFRXWDCXOVCLN-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CN1C1CC1 ZINC000127315767 508431473 /nfs/dbraw/zinc/43/14/73/508431473.db2.gz HACBSAFPAKCWJJ-QFBILLFUSA-N 1 3 356.514 2.707 20 0 FFADHO CNC(=O)c1cccc(CN2CCC(CCC[N@H+](C)CCOC)CC2)c1 ZINC000122203074 508497921 /nfs/dbraw/zinc/49/79/21/508497921.db2.gz DOSPLMVOUCOYCG-UHFFFAOYSA-N 1 3 361.530 2.617 20 0 FFADHO CNC(=O)c1cccc(CN2CCC(CCC[N@@H+](C)CCOC)CC2)c1 ZINC000122203074 508497925 /nfs/dbraw/zinc/49/79/25/508497925.db2.gz DOSPLMVOUCOYCG-UHFFFAOYSA-N 1 3 361.530 2.617 20 0 FFADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000122210780 508500191 /nfs/dbraw/zinc/50/01/91/508500191.db2.gz ZCEQLXFBEPKUHT-LJQANCHMSA-N 1 3 367.578 2.704 20 0 FFADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000122210780 508500194 /nfs/dbraw/zinc/50/01/94/508500194.db2.gz ZCEQLXFBEPKUHT-LJQANCHMSA-N 1 3 367.578 2.704 20 0 FFADHO CCN1CCN(CCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000122259349 508507485 /nfs/dbraw/zinc/50/74/85/508507485.db2.gz KIGUAHRZZMHWOI-IBGZPJMESA-N 1 3 372.557 2.885 20 0 FFADHO CCN1CCN(CCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000122259349 508507488 /nfs/dbraw/zinc/50/74/88/508507488.db2.gz KIGUAHRZZMHWOI-IBGZPJMESA-N 1 3 372.557 2.885 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000127925961 508522280 /nfs/dbraw/zinc/52/22/80/508522280.db2.gz LQAKZRNKEZMGJC-LEWJYISDSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000127925961 508522282 /nfs/dbraw/zinc/52/22/82/508522282.db2.gz LQAKZRNKEZMGJC-LEWJYISDSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000116545894 508528496 /nfs/dbraw/zinc/52/84/96/508528496.db2.gz NSFUDCPDRHCSBV-DLBZAZTESA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000116545894 508528498 /nfs/dbraw/zinc/52/84/98/508528498.db2.gz NSFUDCPDRHCSBV-DLBZAZTESA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000116561038 508529927 /nfs/dbraw/zinc/52/99/27/508529927.db2.gz IMFCFDVUCHYZOS-PXNSSMCTSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)c1nc2ccccc2s1 ZINC000128068811 508543565 /nfs/dbraw/zinc/54/35/65/508543565.db2.gz IPSNTAYLGRIYME-JYJNAYRXSA-N 1 3 374.554 2.965 20 0 FFADHO C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)c1nc2ccccc2s1 ZINC000128068811 508543568 /nfs/dbraw/zinc/54/35/68/508543568.db2.gz IPSNTAYLGRIYME-JYJNAYRXSA-N 1 3 374.554 2.965 20 0 FFADHO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000122743661 508581073 /nfs/dbraw/zinc/58/10/73/508581073.db2.gz GRSYLWNGLKPDLK-QGZVFWFLSA-N 1 3 373.522 2.750 20 0 FFADHO O=C(CC1CCCC1)NCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000153645232 508615463 /nfs/dbraw/zinc/61/54/63/508615463.db2.gz CRFPQBOBJNPRON-UHFFFAOYSA-N 1 3 357.542 2.980 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000158428837 508702870 /nfs/dbraw/zinc/70/28/70/508702870.db2.gz KKRHBEMCRZHIEM-FQEVSTJZSA-N 1 3 360.546 2.533 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000158428837 508702875 /nfs/dbraw/zinc/70/28/75/508702875.db2.gz KKRHBEMCRZHIEM-FQEVSTJZSA-N 1 3 360.546 2.533 20 0 FFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)Cn3cccn3)CC2)c1 ZINC000138023759 508768083 /nfs/dbraw/zinc/76/80/83/508768083.db2.gz RIDRLFCPJAQIRX-HXUWFJFHSA-N 1 3 355.530 2.772 20 0 FFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000154524115 508801660 /nfs/dbraw/zinc/80/16/60/508801660.db2.gz LWDPRTILCCLPRN-KRWDZBQOSA-N 1 3 350.526 2.960 20 0 FFADHO O=C1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C2(CCC2)N1 ZINC000367278362 512421956 /nfs/dbraw/zinc/42/19/56/512421956.db2.gz MDCQFJGLQLOPCB-HAGHYFMRSA-N 1 3 353.510 2.688 20 0 FFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000124609229 508858086 /nfs/dbraw/zinc/85/80/86/508858086.db2.gz KRVXEBWPTKFPJU-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000124609229 508858093 /nfs/dbraw/zinc/85/80/93/508858093.db2.gz KRVXEBWPTKFPJU-CTNGQTDRSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000119894793 508884933 /nfs/dbraw/zinc/88/49/33/508884933.db2.gz LTHOWWSGLBRYRS-OTWHNJEPSA-N 1 3 363.546 2.777 20 0 FFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000155656851 509046657 /nfs/dbraw/zinc/04/66/57/509046657.db2.gz FDQISFOPCRGESM-QZTJIDSGSA-N 1 3 355.530 2.857 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1-c1ncco1 ZINC000133001743 509103135 /nfs/dbraw/zinc/10/31/35/509103135.db2.gz BWVJPQRBKJWJEM-UHFFFAOYSA-N 1 3 359.474 2.607 20 0 FFADHO CCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000121082921 509123220 /nfs/dbraw/zinc/12/32/20/509123220.db2.gz LCBATSZYGMJVJG-OALUTQOASA-N 1 3 367.578 2.891 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@@H]1c1ccccc1 ZINC000247992097 509210397 /nfs/dbraw/zinc/21/03/97/509210397.db2.gz JJRHZELMMRILAT-WTGUMLROSA-N 1 3 356.514 2.558 20 0 FFADHO CN1CC[C@@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@@H]1c1ccccc1 ZINC000247992097 509210407 /nfs/dbraw/zinc/21/04/07/509210407.db2.gz JJRHZELMMRILAT-WTGUMLROSA-N 1 3 356.514 2.558 20 0 FFADHO CC(C)[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000195639138 509213534 /nfs/dbraw/zinc/21/35/34/509213534.db2.gz AZEFVRKFBGFGNC-MOPGFXCFSA-N 1 3 352.567 2.774 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000185518421 509218378 /nfs/dbraw/zinc/21/83/78/509218378.db2.gz RPZPBJLBUBETEO-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000185518421 509218383 /nfs/dbraw/zinc/21/83/83/509218383.db2.gz RPZPBJLBUBETEO-MJGOQNOKSA-N 1 3 358.530 2.775 20 0 FFADHO CN1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179113977 509269143 /nfs/dbraw/zinc/26/91/43/509269143.db2.gz RIGAFQLPVAGHEF-UXHICEINSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@@H](NCCC(=O)Nc1cc(N)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699999 509312086 /nfs/dbraw/zinc/31/20/86/509312086.db2.gz HJMWQQGHBWSYKB-CABCVRRESA-N 1 3 362.493 2.979 20 0 FFADHO C[C@@H](NCCC(=O)Nc1cc(N)ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699999 509312093 /nfs/dbraw/zinc/31/20/93/509312093.db2.gz HJMWQQGHBWSYKB-CABCVRRESA-N 1 3 362.493 2.979 20 0 FFADHO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000185699999 509312101 /nfs/dbraw/zinc/31/21/01/509312101.db2.gz HJMWQQGHBWSYKB-CABCVRRESA-N 1 3 362.493 2.979 20 0 FFADHO C[C@H](NC[C@@H](O)COCc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248541468 509356756 /nfs/dbraw/zinc/35/67/56/509356756.db2.gz BOVGHAWNUYSVPJ-ABSDTBQOSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H](NC[C@@H](O)COCc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248541468 509356758 /nfs/dbraw/zinc/35/67/58/509356758.db2.gz BOVGHAWNUYSVPJ-ABSDTBQOSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)[C@H]1CCCN(C2CCC2)C1 ZINC000248541468 509356761 /nfs/dbraw/zinc/35/67/61/509356761.db2.gz BOVGHAWNUYSVPJ-ABSDTBQOSA-N 1 3 364.505 2.946 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)C1 ZINC000176204694 509376712 /nfs/dbraw/zinc/37/67/12/509376712.db2.gz MKNOJQUBWFYOFI-ROUUACIJSA-N 1 3 360.546 2.868 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000267290863 509431103 /nfs/dbraw/zinc/43/11/03/509431103.db2.gz CASRTCGECTWRAE-SFTDATJTSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000267290863 509431108 /nfs/dbraw/zinc/43/11/08/509431108.db2.gz CASRTCGECTWRAE-SFTDATJTSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000248719291 509451916 /nfs/dbraw/zinc/45/19/16/509451916.db2.gz LNWOPXIRZHDRHR-OWCLPIDISA-N 1 3 360.502 2.777 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179462172 509456093 /nfs/dbraw/zinc/45/60/93/509456093.db2.gz GVSNTLOJSAVOFQ-WOJBJXKFSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@H](NC(=O)N(C)CC1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182846950 509457144 /nfs/dbraw/zinc/45/71/44/509457144.db2.gz AIPCMWYNIDDONB-FUHWJXTLSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](NC(=O)N(C)CC1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182846950 509457148 /nfs/dbraw/zinc/45/71/48/509457148.db2.gz AIPCMWYNIDDONB-FUHWJXTLSA-N 1 3 350.551 2.623 20 0 FFADHO CN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)[C@@H]1c1ccccc1 ZINC000179482346 509469873 /nfs/dbraw/zinc/46/98/73/509469873.db2.gz WTCIZLYBVOYVLR-PMACEKPBSA-N 1 3 370.497 2.798 20 0 FFADHO CC(C)[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)N1CCc2ccccc2C1 ZINC000236666177 509474469 /nfs/dbraw/zinc/47/44/69/509474469.db2.gz VQFYIUIYNAKSLB-YADHBBJMSA-N 1 3 365.521 2.928 20 0 FFADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1OC ZINC000164362647 509494584 /nfs/dbraw/zinc/49/45/84/509494584.db2.gz VJYYWOPFOXVMQQ-QGZVFWFLSA-N 1 3 351.491 2.728 20 0 FFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000186088219 509516547 /nfs/dbraw/zinc/51/65/47/509516547.db2.gz RHRWPYUFKUFGBP-KRWDZBQOSA-N 1 3 350.507 2.617 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000248928108 509546762 /nfs/dbraw/zinc/54/67/62/509546762.db2.gz XLMQWZLCYITXJM-LAUBAEHRSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176595263 509602466 /nfs/dbraw/zinc/60/24/66/509602466.db2.gz LAWDGRGQFYGCHL-RTBURBONSA-N 1 3 364.509 2.772 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2CC[NH+](C(C)C)CC2)c1 ZINC000237252334 509602838 /nfs/dbraw/zinc/60/28/38/509602838.db2.gz PDCQAZNLPRQDHU-HNNXBMFYSA-N 1 3 363.502 2.883 20 0 FFADHO COc1cccc([C@@H](CNC(=O)CCC2CC[NH2+]CC2)N2CCCC2)c1 ZINC000237282406 509612433 /nfs/dbraw/zinc/61/24/33/509612433.db2.gz QZIWFRDZZKIFMY-HXUWFJFHSA-N 1 3 359.514 2.728 20 0 FFADHO N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000166702249 509614094 /nfs/dbraw/zinc/61/40/94/509614094.db2.gz JWZUDHNQWASLKN-FQEVSTJZSA-N 1 3 369.534 2.786 20 0 FFADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000249129001 509615372 /nfs/dbraw/zinc/61/53/72/509615372.db2.gz DFJGUNUQOMMAGI-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000249129001 509615379 /nfs/dbraw/zinc/61/53/79/509615379.db2.gz DFJGUNUQOMMAGI-CTNGQTDRSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000189519355 509616927 /nfs/dbraw/zinc/61/69/27/509616927.db2.gz OPYIBGUEXUFPBR-IIAWOOMASA-N 1 3 352.441 2.511 20 0 FFADHO COc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237489239 509661457 /nfs/dbraw/zinc/66/14/57/509661457.db2.gz UPLYPAWQZJWUPL-NHCUHLMSSA-N 1 3 367.493 2.691 20 0 FFADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000186355797 509667518 /nfs/dbraw/zinc/66/75/18/509667518.db2.gz LERHPOLLAZEYLM-UFYCRDLUSA-N 1 3 361.530 2.589 20 0 FFADHO Cc1cc(C)c(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000179904739 509667958 /nfs/dbraw/zinc/66/79/58/509667958.db2.gz DJQKPHWTIOELKJ-UHFFFAOYSA-N 1 3 357.542 2.829 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+]C2CCN(C(C)C)CC2)c(C)c1 ZINC000173619316 509678551 /nfs/dbraw/zinc/67/85/51/509678551.db2.gz FQYMWBNGSIWOJB-INIZCTEOSA-N 1 3 360.502 2.802 20 0 FFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000189672947 509695007 /nfs/dbraw/zinc/69/50/07/509695007.db2.gz WQRGIGFWVMGABS-UHFFFAOYSA-N 1 3 372.557 2.819 20 0 FFADHO C[NH+](C)CCN1CCC(N[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183341502 509725246 /nfs/dbraw/zinc/72/52/46/509725246.db2.gz ACVUZLPWWHLQND-OAQYLSRUSA-N 1 3 356.489 2.926 20 0 FFADHO CN(C)CC[NH+]1CCC(N[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183341502 509725250 /nfs/dbraw/zinc/72/52/50/509725250.db2.gz ACVUZLPWWHLQND-OAQYLSRUSA-N 1 3 356.489 2.926 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180217567 509818375 /nfs/dbraw/zinc/81/83/75/509818375.db2.gz HPUPYJUNCBPLPH-LJQANCHMSA-N 1 3 373.545 2.559 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180217567 509818378 /nfs/dbraw/zinc/81/83/78/509818378.db2.gz HPUPYJUNCBPLPH-LJQANCHMSA-N 1 3 373.545 2.559 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000252092418 509831275 /nfs/dbraw/zinc/83/12/75/509831275.db2.gz HHQBFBMXDSOLBG-SVFBPWRDSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000252092418 509831279 /nfs/dbraw/zinc/83/12/79/509831279.db2.gz HHQBFBMXDSOLBG-SVFBPWRDSA-N 1 3 374.573 2.827 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000252172413 509833535 /nfs/dbraw/zinc/83/35/35/509833535.db2.gz RJZUFQFYGPUAHW-QWFCFKBJSA-N 1 3 360.546 2.957 20 0 FFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C[C@H](C)O1 ZINC000252734688 509857617 /nfs/dbraw/zinc/85/76/17/509857617.db2.gz YXMSJWOBUWJYOH-XEMDLRDOSA-N 1 3 359.514 2.558 20 0 FFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000252801501 509860604 /nfs/dbraw/zinc/86/06/04/509860604.db2.gz TYHVVRAPEISMEI-WCIQWLHISA-N 1 3 356.514 2.700 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)s1 ZINC000174002042 509898518 /nfs/dbraw/zinc/89/85/18/509898518.db2.gz DQCSOTGVRMYPSV-CQSZACIVSA-N 1 3 372.966 2.959 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)s1 ZINC000174002042 509898519 /nfs/dbraw/zinc/89/85/19/509898519.db2.gz DQCSOTGVRMYPSV-CQSZACIVSA-N 1 3 372.966 2.959 20 0 FFADHO COCCC[NH+]1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000171122634 509954492 /nfs/dbraw/zinc/95/44/92/509954492.db2.gz JVWIFBCKZDVQIO-UHFFFAOYSA-N 1 3 359.514 2.513 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174160057 509976154 /nfs/dbraw/zinc/97/61/54/509976154.db2.gz WKLOWUPHKHBLOT-FPOVZHCZSA-N 1 3 370.541 2.951 20 0 FFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000245626978 510047417 /nfs/dbraw/zinc/04/74/17/510047417.db2.gz QZXULFMPSRCFSP-BHDDXSALSA-N 1 3 369.553 2.871 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2ccncc2)c1 ZINC000261964088 510131138 /nfs/dbraw/zinc/13/11/38/510131138.db2.gz HOJINHMIRVREBR-FQEVSTJZSA-N 1 3 352.482 2.568 20 0 FFADHO OC1CC[NH+](CCCN[C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193977825 510159662 /nfs/dbraw/zinc/15/96/62/510159662.db2.gz ZFFOVHKKOLAGCZ-KRWDZBQOSA-N 1 3 353.304 2.873 20 0 FFADHO COc1cc([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)ccc1S(C)(=O)=O ZINC000268973287 510170571 /nfs/dbraw/zinc/17/05/71/510170571.db2.gz GFEJYMUIUULJJZ-AWEZNQCLSA-N 1 3 366.527 2.766 20 0 FFADHO COc1cc(-c2ccccc2)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262103847 510178663 /nfs/dbraw/zinc/17/86/63/510178663.db2.gz JEBKAOJQTPDPCP-OAQYLSRUSA-N 1 3 351.494 2.842 20 0 FFADHO CCC[C@](C)(N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000262242947 510217912 /nfs/dbraw/zinc/21/79/12/510217912.db2.gz ALXATJBFFYAPGQ-NRFANRHFSA-N 1 3 361.530 2.691 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2csc3ccccc23)C1)[C@H]1CCC[NH2+]1 ZINC000262291167 510234537 /nfs/dbraw/zinc/23/45/37/510234537.db2.gz WCLRZGSMURXBNZ-MAUKXSAKSA-N 1 3 357.523 2.982 20 0 FFADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194160289 510243477 /nfs/dbraw/zinc/24/34/77/510243477.db2.gz NSAFVVQMOYOBRL-IBGZPJMESA-N 1 3 360.546 2.721 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000171633204 510263404 /nfs/dbraw/zinc/26/34/04/510263404.db2.gz DLXFKKLMVUIJDW-INIZCTEOSA-N 1 3 358.530 2.605 20 0 FFADHO C[C@@H](CNC(=O)NCC(C)(C)N1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000171633204 510263412 /nfs/dbraw/zinc/26/34/12/510263412.db2.gz DLXFKKLMVUIJDW-INIZCTEOSA-N 1 3 358.530 2.605 20 0 FFADHO C[C@@H]1CCCCN1Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000246056434 510268607 /nfs/dbraw/zinc/26/86/07/510268607.db2.gz QHFQQLZKBZOAPI-APWZRJJASA-N 1 3 350.528 2.728 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1(C)C ZINC000262406466 510270694 /nfs/dbraw/zinc/27/06/94/510270694.db2.gz NHFDKRKTMWDHCJ-CJNGLKHVSA-N 1 3 359.392 2.635 20 0 FFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000177877844 510304551 /nfs/dbraw/zinc/30/45/51/510304551.db2.gz KRWPVWNXROSYLK-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000177877844 510304558 /nfs/dbraw/zinc/30/45/58/510304558.db2.gz KRWPVWNXROSYLK-UXHICEINSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000269305759 510332158 /nfs/dbraw/zinc/33/21/58/510332158.db2.gz SSNTVVMFDAOMID-UXHICEINSA-N 1 3 372.557 2.531 20 0 FFADHO C[C@]1(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCC[NH2+]C1 ZINC000269413617 510394737 /nfs/dbraw/zinc/39/47/37/510394737.db2.gz IRYULHQIGMAAIP-NRFANRHFSA-N 1 3 356.514 2.547 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262778852 510409175 /nfs/dbraw/zinc/40/91/75/510409175.db2.gz KGBGOSOISYNSPI-KIQACKJLSA-N 1 3 373.541 2.688 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262778852 510409180 /nfs/dbraw/zinc/40/91/80/510409180.db2.gz KGBGOSOISYNSPI-KIQACKJLSA-N 1 3 373.541 2.688 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@H]1CSCCN1 ZINC000262804214 510418858 /nfs/dbraw/zinc/41/88/58/510418858.db2.gz PQLJOQDTYLNPFH-APWZRJJASA-N 1 3 361.555 2.772 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@H]1CSCCN1 ZINC000262804214 510418859 /nfs/dbraw/zinc/41/88/59/510418859.db2.gz PQLJOQDTYLNPFH-APWZRJJASA-N 1 3 361.555 2.772 20 0 FFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000175011180 510435106 /nfs/dbraw/zinc/43/51/06/510435106.db2.gz YXFXQYAFCCORCY-NQIIRXRSSA-N 1 3 368.525 2.868 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246373839 510454148 /nfs/dbraw/zinc/45/41/48/510454148.db2.gz HRWVZTQUHUSLEB-GHTZIAJQSA-N 1 3 372.557 2.807 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246373839 510454153 /nfs/dbraw/zinc/45/41/53/510454153.db2.gz HRWVZTQUHUSLEB-GHTZIAJQSA-N 1 3 372.557 2.807 20 0 FFADHO CCN(CC)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262887237 510458955 /nfs/dbraw/zinc/45/89/55/510458955.db2.gz ZQCLXQNVQJGKSX-AZUAARDMSA-N 1 3 369.513 2.621 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246406596 510470623 /nfs/dbraw/zinc/47/06/23/510470623.db2.gz LLZLMEJKXFGWCE-BWPNAZKDSA-N 1 3 370.541 2.964 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246406596 510470629 /nfs/dbraw/zinc/47/06/29/510470629.db2.gz LLZLMEJKXFGWCE-BWPNAZKDSA-N 1 3 370.541 2.964 20 0 FFADHO Cc1csc(=O)n1CCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184752348 510500067 /nfs/dbraw/zinc/50/00/67/510500067.db2.gz CGJZFNNVNZCWOD-HOTGVXAUSA-N 1 3 359.539 2.964 20 0 FFADHO Cc1ccc([C@H](CNC(=O)c2csc(CC[NH3+])n2)N2CCCC2)cc1 ZINC000194832240 510550320 /nfs/dbraw/zinc/55/03/20/510550320.db2.gz BFIOVXUQZSMEMC-KRWDZBQOSA-N 1 3 358.511 2.520 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000184906973 510575932 /nfs/dbraw/zinc/57/59/32/510575932.db2.gz HXKFVZJAVBMBSZ-GOSISDBHSA-N 1 3 373.545 2.634 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000184906973 510575940 /nfs/dbraw/zinc/57/59/40/510575940.db2.gz HXKFVZJAVBMBSZ-GOSISDBHSA-N 1 3 373.545 2.634 20 0 FFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1(C)C ZINC000181974027 510686880 /nfs/dbraw/zinc/68/68/80/510686880.db2.gz YCWAVBSQWATDGR-PMACEKPBSA-N 1 3 373.541 2.805 20 0 FFADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC1CCN(C2CC2)CC1 ZINC000188286505 510690491 /nfs/dbraw/zinc/69/04/91/510690491.db2.gz ZWGSWDJDWDHVFG-UHFFFAOYSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@H](N2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175646791 510710960 /nfs/dbraw/zinc/71/09/60/510710960.db2.gz YWPQWMAABVWEBC-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CCNC(=O)N1CC[C@H](N2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646791 510710967 /nfs/dbraw/zinc/71/09/67/510710967.db2.gz YWPQWMAABVWEBC-ICSRJNTNSA-N 1 3 358.530 2.777 20 0 FFADHO CNC(=O)c1cccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000178687683 510721253 /nfs/dbraw/zinc/72/12/53/510721253.db2.gz IDMGNGXNLMJGQN-INIZCTEOSA-N 1 3 355.482 2.837 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000246880838 510725211 /nfs/dbraw/zinc/72/52/11/510725211.db2.gz BPZBNSVYOXGWRO-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000246880838 510725217 /nfs/dbraw/zinc/72/52/17/510725217.db2.gz BPZBNSVYOXGWRO-AZUAARDMSA-N 1 3 370.541 2.777 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)Cc1ccccc1 ZINC000178701353 510728100 /nfs/dbraw/zinc/72/81/00/510728100.db2.gz FMILMURVXSONSR-RTWAWAEBSA-N 1 3 353.510 2.798 20 0 FFADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178717554 510734921 /nfs/dbraw/zinc/73/49/21/510734921.db2.gz UAYCHYSWJWDGPP-UHFFFAOYSA-N 1 3 360.546 2.675 20 0 FFADHO CCN(C)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000191580662 510735836 /nfs/dbraw/zinc/73/58/36/510735836.db2.gz WSWOUELFCDUBNO-OAQYLSRUSA-N 1 3 368.525 2.784 20 0 FFADHO CCN(C)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000191580662 510735845 /nfs/dbraw/zinc/73/58/45/510735845.db2.gz WSWOUELFCDUBNO-OAQYLSRUSA-N 1 3 368.525 2.784 20 0 FFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000191606068 510746808 /nfs/dbraw/zinc/74/68/08/510746808.db2.gz FJVXFLZNTMYLJI-GOSISDBHSA-N 1 3 374.529 2.710 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270346381 510770591 /nfs/dbraw/zinc/77/05/91/510770591.db2.gz OUKNXKMIONJAMG-LEWJYISDSA-N 1 3 372.557 2.533 20 0 FFADHO COc1ccc(C[C@@H](C)C[NH+]2CCC(N(C)CCCO)CC2)cc1F ZINC000185251087 510773960 /nfs/dbraw/zinc/77/39/60/510773960.db2.gz NITYLPVNHCAAGH-MRXNPFEDSA-N 1 3 352.494 2.792 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247039249 510811490 /nfs/dbraw/zinc/81/14/90/510811490.db2.gz YTWJKJIGZIJWBK-XDNAFOTISA-N 1 3 358.530 2.985 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000263727943 510812686 /nfs/dbraw/zinc/81/26/86/510812686.db2.gz MRWLDNWNWAHKKF-CVEARBPZSA-N 1 3 352.548 2.600 20 0 FFADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000182238843 510828480 /nfs/dbraw/zinc/82/84/80/510828480.db2.gz YUOLUAWQXDUIFA-RBUKOAKNSA-N 1 3 350.528 2.728 20 0 FFADHO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000247084148 510829572 /nfs/dbraw/zinc/82/95/72/510829572.db2.gz VZTOQVFRMXTTRY-UXHICEINSA-N 1 3 371.525 2.906 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000247084148 510829576 /nfs/dbraw/zinc/82/95/76/510829576.db2.gz VZTOQVFRMXTTRY-UXHICEINSA-N 1 3 371.525 2.906 20 0 FFADHO CCOc1ccc(C(=O)N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000247084148 510829578 /nfs/dbraw/zinc/82/95/78/510829578.db2.gz VZTOQVFRMXTTRY-UXHICEINSA-N 1 3 371.525 2.906 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)CC(C)C ZINC000182286751 510844263 /nfs/dbraw/zinc/84/42/63/510844263.db2.gz ARVNPAWLGYRKEG-QYZOEREBSA-N 1 3 352.567 2.869 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000247171260 510848427 /nfs/dbraw/zinc/84/84/27/510848427.db2.gz SOYNXMAMOWABST-HKUYNNGSSA-N 1 3 353.551 2.504 20 0 FFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247453948 510861268 /nfs/dbraw/zinc/86/12/68/510861268.db2.gz PJFPHEBRTKRZPT-NVXWUHKLSA-N 1 3 352.548 2.770 20 0 FFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247453948 510861269 /nfs/dbraw/zinc/86/12/69/510861269.db2.gz PJFPHEBRTKRZPT-NVXWUHKLSA-N 1 3 352.548 2.770 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000247466772 510861782 /nfs/dbraw/zinc/86/17/82/510861782.db2.gz PXHUDJBMLNPOFT-YRWFTTLQSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000247466772 510861783 /nfs/dbraw/zinc/86/17/83/510861783.db2.gz PXHUDJBMLNPOFT-YRWFTTLQSA-N 1 3 358.530 2.536 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282182036 510876535 /nfs/dbraw/zinc/87/65/35/510876535.db2.gz FSQYGTMKVSBSSP-CTNGQTDRSA-N 1 3 358.574 2.513 20 0 FFADHO COc1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000364463620 510880930 /nfs/dbraw/zinc/88/09/30/510880930.db2.gz UFLSOFXRRHBXLQ-PXNSSMCTSA-N 1 3 359.514 2.728 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)N(C)C)cc1 ZINC000297287166 510888626 /nfs/dbraw/zinc/88/86/26/510888626.db2.gz GRFDYXATZKFEHQ-MJGOQNOKSA-N 1 3 374.554 2.667 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(Cl)nc1 ZINC000270507100 510891048 /nfs/dbraw/zinc/89/10/48/510891048.db2.gz ORGBLQABFWJRJN-MRXNPFEDSA-N 1 3 359.905 2.993 20 0 FFADHO COc1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC(F)F ZINC000282502132 511002852 /nfs/dbraw/zinc/00/28/52/511002852.db2.gz YFPXUMVTZRBHKD-AWEZNQCLSA-N 1 3 371.472 2.973 20 0 FFADHO C[C@@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000364673316 511011927 /nfs/dbraw/zinc/01/19/27/511011927.db2.gz PAVTUCXCYVYJBY-JOMPHRNESA-N 1 3 358.530 2.794 20 0 FFADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000279269418 511023544 /nfs/dbraw/zinc/02/35/44/511023544.db2.gz YRSQFPARQMPYKN-GOSISDBHSA-N 1 3 371.525 2.608 20 0 FFADHO C[C@@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+]1CCCCCC1 ZINC000364699916 511028546 /nfs/dbraw/zinc/02/85/46/511028546.db2.gz UNPQSZMXPSTTRT-IHPCNDPISA-N 1 3 358.530 2.797 20 0 FFADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[C@H]1SC ZINC000297683884 511032896 /nfs/dbraw/zinc/03/28/96/511032896.db2.gz PIJVTDLPXQFZLU-VNTMZGSJSA-N 1 3 364.555 2.642 20 0 FFADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[C@H]1SC ZINC000297683884 511032900 /nfs/dbraw/zinc/03/29/00/511032900.db2.gz PIJVTDLPXQFZLU-VNTMZGSJSA-N 1 3 364.555 2.642 20 0 FFADHO CN1CCC(O)(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000297754059 511057676 /nfs/dbraw/zinc/05/76/76/511057676.db2.gz ONGMTAAJQKSCHR-QGZVFWFLSA-N 1 3 367.331 2.817 20 0 FFADHO CN1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000297754054 511057740 /nfs/dbraw/zinc/05/77/40/511057740.db2.gz ONGMTAAJQKSCHR-KRWDZBQOSA-N 1 3 367.331 2.817 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361722659 511084877 /nfs/dbraw/zinc/08/48/77/511084877.db2.gz ARCJMSSQMFQEKZ-QZTJIDSGSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361722659 511084884 /nfs/dbraw/zinc/08/48/84/511084884.db2.gz ARCJMSSQMFQEKZ-QZTJIDSGSA-N 1 3 355.526 2.596 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271241818 511135345 /nfs/dbraw/zinc/13/53/45/511135345.db2.gz AKMGGBURJDQWDK-XJUOHMSHSA-N 1 3 370.585 2.751 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271241818 511135348 /nfs/dbraw/zinc/13/53/48/511135348.db2.gz AKMGGBURJDQWDK-XJUOHMSHSA-N 1 3 370.585 2.751 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(C[C@@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC000364939343 511165693 /nfs/dbraw/zinc/16/56/93/511165693.db2.gz AGAPSNYPDYTATD-LJQANCHMSA-N 1 3 365.949 2.723 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)CC1 ZINC000364944411 511168101 /nfs/dbraw/zinc/16/81/01/511168101.db2.gz OBDXJTPDAQSYMO-UHFFFAOYSA-N 1 3 367.541 2.722 20 0 FFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@H]1SC ZINC000291387498 511177965 /nfs/dbraw/zinc/17/79/65/511177965.db2.gz CBHBNQYMUVEJQL-XUVXKRRUSA-N 1 3 364.555 2.642 20 0 FFADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000279714236 511186758 /nfs/dbraw/zinc/18/67/58/511186758.db2.gz QGMIUEHQXDVNCI-SZPZYZBQSA-N 1 3 363.505 2.952 20 0 FFADHO CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000279714236 511186763 /nfs/dbraw/zinc/18/67/63/511186763.db2.gz QGMIUEHQXDVNCI-SZPZYZBQSA-N 1 3 363.505 2.952 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC1CC[NH+](C)CC1 ZINC000291612733 511268059 /nfs/dbraw/zinc/26/80/59/511268059.db2.gz YHKMEXUYWMWQMQ-UHFFFAOYSA-N 1 3 353.457 2.587 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333889945 511384211 /nfs/dbraw/zinc/38/42/11/511384211.db2.gz GRIZDUGKWZIMMO-FBBABVLZSA-N 1 3 370.541 2.647 20 0 FFADHO Cc1noc(C2CCC([NH2+]Cc3ccccc3CN3CC[C@H](O)C3)CC2)n1 ZINC000292010827 511429953 /nfs/dbraw/zinc/42/99/53/511429953.db2.gz BLVOLSLAYOHIFB-GQOXECLESA-N 1 3 370.497 2.761 20 0 FFADHO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272157252 511449908 /nfs/dbraw/zinc/44/99/08/511449908.db2.gz CZTCMUNXIUUIDO-BHYGNILZSA-N 1 3 369.431 2.650 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000363261993 511450068 /nfs/dbraw/zinc/45/00/68/511450068.db2.gz UBPLUXAGDDZONT-OAQYLSRUSA-N 1 3 370.541 2.529 20 0 FFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000284133158 511618142 /nfs/dbraw/zinc/61/81/42/511618142.db2.gz OHPKFTDXYZUDCJ-OAQYLSRUSA-N 1 3 356.514 2.654 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000365836713 511678539 /nfs/dbraw/zinc/67/85/39/511678539.db2.gz JGABVNCIYYWKGB-NJYVYQBISA-N 1 3 351.579 2.808 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000365836713 511678542 /nfs/dbraw/zinc/67/85/42/511678542.db2.gz JGABVNCIYYWKGB-NJYVYQBISA-N 1 3 351.579 2.808 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284368563 511699072 /nfs/dbraw/zinc/69/90/72/511699072.db2.gz OEBBKVUGRMFGOD-HUUCEWRRSA-N 1 3 354.926 2.668 20 0 FFADHO Fc1cncc([C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C2CC2)c1 ZINC000281380418 511825267 /nfs/dbraw/zinc/82/52/67/511825267.db2.gz XDQYLVZZOOYPKT-NRFANRHFSA-N 1 3 369.488 2.869 20 0 FFADHO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(OCCN(C)C)cc1 ZINC000274434262 511833806 /nfs/dbraw/zinc/83/38/06/511833806.db2.gz WGDUAPHSCIXYLM-OAHLLOKOSA-N 1 3 360.527 2.823 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000363920374 511850886 /nfs/dbraw/zinc/85/08/86/511850886.db2.gz IWYRWAYXCNITIB-JYJNAYRXSA-N 1 3 361.486 2.637 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000363920374 511850889 /nfs/dbraw/zinc/85/08/89/511850889.db2.gz IWYRWAYXCNITIB-JYJNAYRXSA-N 1 3 361.486 2.637 20 0 FFADHO C[C@H](NC(=O)N(C)CCN(C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274524474 511863113 /nfs/dbraw/zinc/86/31/13/511863113.db2.gz OYPWXXJHYBNKRL-PKOBYXMFSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)CCN(C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274524474 511863118 /nfs/dbraw/zinc/86/31/18/511863118.db2.gz OYPWXXJHYBNKRL-PKOBYXMFSA-N 1 3 358.530 2.633 20 0 FFADHO COC[C@]1(C)CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296730764 511873723 /nfs/dbraw/zinc/87/37/23/511873723.db2.gz NXPHQVUVUQHXCA-XMSQKQJNSA-N 1 3 373.541 2.514 20 0 FFADHO CN1CCN(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1(C)C ZINC000293238554 511892202 /nfs/dbraw/zinc/89/22/02/511892202.db2.gz BEJJDMCQFRUDGI-PXNSSMCTSA-N 1 3 363.521 2.909 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000366291484 511942780 /nfs/dbraw/zinc/94/27/80/511942780.db2.gz XOJYKBRYLMGNLU-KNQAVFIVSA-N 1 3 358.574 2.513 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)CC1 ZINC000274811876 511949477 /nfs/dbraw/zinc/94/94/77/511949477.db2.gz NALXEMWCXBREJM-VQTJNVASSA-N 1 3 371.529 2.577 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)c2)CC1 ZINC000274811876 511949481 /nfs/dbraw/zinc/94/94/81/511949481.db2.gz NALXEMWCXBREJM-VQTJNVASSA-N 1 3 371.529 2.577 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297040704 511997590 /nfs/dbraw/zinc/99/75/90/511997590.db2.gz MNMNFONWDGMGHV-KXEVLKFVSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297040704 511997593 /nfs/dbraw/zinc/99/75/93/511997593.db2.gz MNMNFONWDGMGHV-KXEVLKFVSA-N 1 3 370.541 2.821 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000366454466 512033114 /nfs/dbraw/zinc/03/31/14/512033114.db2.gz XVLHISVSIXTGAG-NJYVYQBISA-N 1 3 371.525 2.606 20 0 FFADHO CN1CCC(N2CCC([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)CC1 ZINC000281978362 512034238 /nfs/dbraw/zinc/03/42/38/512034238.db2.gz OKRZIMWHEWUDDP-KRWDZBQOSA-N 1 3 352.526 2.783 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000364303923 512077278 /nfs/dbraw/zinc/07/72/78/512077278.db2.gz OKZJLBYSCYPDPK-PCCBWWKXSA-N 1 3 370.541 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000364303923 512077284 /nfs/dbraw/zinc/07/72/84/512077284.db2.gz OKZJLBYSCYPDPK-PCCBWWKXSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC3(CC2)OCc2ccccc23)CC1 ZINC000369515896 512449652 /nfs/dbraw/zinc/44/96/52/512449652.db2.gz KBPVTSNZFJVQEY-UHFFFAOYSA-N 1 3 357.542 2.924 20 0 FFADHO CN(C)CC[C@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)C(C)(C)C ZINC000377807056 512459139 /nfs/dbraw/zinc/45/91/39/512459139.db2.gz MYIXKUZKMFGXAW-ROUUACIJSA-N 1 3 367.559 2.667 20 0 FFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816317 512463432 /nfs/dbraw/zinc/46/34/32/512463432.db2.gz FQBYWNGWWJOGPX-VQTJNVASSA-N 1 3 373.566 2.852 20 0 FFADHO CSc1ccc(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000411184281 512509063 /nfs/dbraw/zinc/50/90/63/512509063.db2.gz FGPAPILQSNMOKS-KRWDZBQOSA-N 1 3 352.544 2.812 20 0 FFADHO C[N@@H+]1CCCC12CCN(C[C@@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000367464279 512512966 /nfs/dbraw/zinc/51/29/66/512512966.db2.gz RGKQFPKSLOKNOU-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO C[N@H+]1CCCC12CCN(C[C@@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000367464279 512512971 /nfs/dbraw/zinc/51/29/71/512512971.db2.gz RGKQFPKSLOKNOU-OAQYLSRUSA-N 1 3 357.542 2.838 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)N(C)C)cc1OC ZINC000367625980 512590374 /nfs/dbraw/zinc/59/03/74/512590374.db2.gz MCWNEFDOVVEVAQ-YRXWBPOGSA-N 1 3 361.530 2.769 20 0 FFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N(C)C)cc1OC ZINC000367625980 512590380 /nfs/dbraw/zinc/59/03/80/512590380.db2.gz MCWNEFDOVVEVAQ-YRXWBPOGSA-N 1 3 361.530 2.769 20 0 FFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)N(C)C)cc1OC ZINC000367625980 512590386 /nfs/dbraw/zinc/59/03/86/512590386.db2.gz MCWNEFDOVVEVAQ-YRXWBPOGSA-N 1 3 361.530 2.769 20 0 FFADHO COC(=O)CC1(NCc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000411378722 512607086 /nfs/dbraw/zinc/60/70/86/512607086.db2.gz COKZUYXTCMGFQF-UHFFFAOYSA-N 1 3 360.498 2.874 20 0 FFADHO C[C@]1(CNC(=O)NC2CCN(C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000374006184 512617794 /nfs/dbraw/zinc/61/77/94/512617794.db2.gz PYWCEQSXLMUCRD-JOCHJYFZSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@]1(CNC(=O)NC2CCN(C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000374006184 512617799 /nfs/dbraw/zinc/61/77/99/512617799.db2.gz PYWCEQSXLMUCRD-JOCHJYFZSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000378209721 512639782 /nfs/dbraw/zinc/63/97/82/512639782.db2.gz KYSJPDTYRYBAOM-KRWDZBQOSA-N 1 3 354.498 2.663 20 0 FFADHO COc1ccc([C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000411460338 512646268 /nfs/dbraw/zinc/64/62/68/512646268.db2.gz OJJQMLYMBIAADJ-OAQYLSRUSA-N 1 3 361.530 2.971 20 0 FFADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374163231 512686096 /nfs/dbraw/zinc/68/60/96/512686096.db2.gz OVPIMTMHGZTUGF-INIZCTEOSA-N 1 3 361.555 2.829 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000411563311 512690896 /nfs/dbraw/zinc/69/08/96/512690896.db2.gz QSLKPDIIBOHRSY-SFTDATJTSA-N 1 3 373.541 2.875 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCCC[C@H]2Oc2ccccc2C)CC1 ZINC000411564322 512692170 /nfs/dbraw/zinc/69/21/70/512692170.db2.gz SNTSMVJLSCXYMJ-PZJWPPBQSA-N 1 3 373.541 2.875 20 0 FFADHO C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376311982 512762506 /nfs/dbraw/zinc/76/25/06/512762506.db2.gz QXAOBJCRJNUUNT-SESVDKBCSA-N 1 3 367.541 2.889 20 0 FFADHO C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376311982 512762510 /nfs/dbraw/zinc/76/25/10/512762510.db2.gz QXAOBJCRJNUUNT-SESVDKBCSA-N 1 3 367.541 2.889 20 0 FFADHO CCCCO[C@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411721359 512778153 /nfs/dbraw/zinc/77/81/53/512778153.db2.gz OLQXSXFFUFOJQU-MSOLQXFVSA-N 1 3 353.551 2.549 20 0 FFADHO C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411720143 512778572 /nfs/dbraw/zinc/77/85/72/512778572.db2.gz PKMZAXKHAPLMIN-KNQAVFIVSA-N 1 3 357.542 2.968 20 0 FFADHO CC(=O)N1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc2C1 ZINC000378500140 512793098 /nfs/dbraw/zinc/79/30/98/512793098.db2.gz WAUMMRHUTSBWCH-KGVIQGDOSA-N 1 3 373.541 2.959 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000372434417 512872653 /nfs/dbraw/zinc/87/26/53/512872653.db2.gz BJYLUBFMPYMTMB-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000372434417 512872659 /nfs/dbraw/zinc/87/26/59/512872659.db2.gz BJYLUBFMPYMTMB-FGTMMUONSA-N 1 3 350.551 2.623 20 0 FFADHO c1ccc(CN2CCN(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000390665593 512909431 /nfs/dbraw/zinc/90/94/31/512909431.db2.gz MTLZFQGAONVDPE-YTFSRNRJSA-N 1 3 370.585 2.705 20 0 FFADHO COc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1F ZINC000397504867 512946302 /nfs/dbraw/zinc/94/63/02/512946302.db2.gz IDCFQKRNOYXISO-UHFFFAOYSA-N 1 3 358.457 2.951 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370705627 513062931 /nfs/dbraw/zinc/06/29/31/513062931.db2.gz HWXTWWLWSZIHEP-VQIMIIECSA-N 1 3 367.484 2.788 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370705627 513062935 /nfs/dbraw/zinc/06/29/35/513062935.db2.gz HWXTWWLWSZIHEP-VQIMIIECSA-N 1 3 367.484 2.788 20 0 FFADHO CO[C@H](C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374914828 513069700 /nfs/dbraw/zinc/06/97/00/513069700.db2.gz QFNXUAHTSRFMNM-FFZOFVMBSA-N 1 3 365.949 2.985 20 0 FFADHO CO[C@H](C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374914828 513069707 /nfs/dbraw/zinc/06/97/07/513069707.db2.gz QFNXUAHTSRFMNM-FFZOFVMBSA-N 1 3 365.949 2.985 20 0 FFADHO CO[C@H](CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374914828 513069712 /nfs/dbraw/zinc/06/97/12/513069712.db2.gz QFNXUAHTSRFMNM-FFZOFVMBSA-N 1 3 365.949 2.985 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CCC1 ZINC000445876125 513135644 /nfs/dbraw/zinc/13/56/44/513135644.db2.gz SMQQYEWHRCZAIS-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO Cc1cc(C[NH3+])cc(NC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000424434481 513144297 /nfs/dbraw/zinc/14/42/97/513144297.db2.gz GWRUBPVRJDTMCR-UHFFFAOYSA-N 1 3 362.543 2.937 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417668896 513149750 /nfs/dbraw/zinc/14/97/50/513149750.db2.gz LECQJIMDEAIDEN-FQEVSTJZSA-N 1 3 370.541 2.826 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000417698359 513168928 /nfs/dbraw/zinc/16/89/28/513168928.db2.gz XTPVMCJGFUCSEQ-MSOLQXFVSA-N 1 3 358.530 2.982 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417733464 513185724 /nfs/dbraw/zinc/18/57/24/513185724.db2.gz IVOACNXQYSUDPF-IVSAIRAKSA-N 1 3 350.532 2.523 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417733464 513185727 /nfs/dbraw/zinc/18/57/27/513185727.db2.gz IVOACNXQYSUDPF-IVSAIRAKSA-N 1 3 350.532 2.523 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCNC(C)(C)C2)[C@@H]1c1cccs1 ZINC000417740743 513190498 /nfs/dbraw/zinc/19/04/98/513190498.db2.gz SDMAYZWOCSSNHF-GOEBONIOSA-N 1 3 350.532 2.524 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCNC(C)(C)C2)[C@@H]1c1cccs1 ZINC000417740743 513190505 /nfs/dbraw/zinc/19/05/05/513190505.db2.gz SDMAYZWOCSSNHF-GOEBONIOSA-N 1 3 350.532 2.524 20 0 FFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000417823705 513223045 /nfs/dbraw/zinc/22/30/45/513223045.db2.gz JXNBSTWPDAADOB-OAQYLSRUSA-N 1 3 366.509 2.740 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000417826388 513223631 /nfs/dbraw/zinc/22/36/31/513223631.db2.gz CHSQPQAICWKALA-MDNKFWRPSA-N 1 3 358.530 2.856 20 0 FFADHO [NH3+][C@@H]1CCN(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000417828793 513225169 /nfs/dbraw/zinc/22/51/69/513225169.db2.gz PHUPHWJXVHJUNC-OAQYLSRUSA-N 1 3 366.509 2.822 20 0 FFADHO C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000428951603 513231131 /nfs/dbraw/zinc/23/11/31/513231131.db2.gz JZPWHCOFPHVUGP-WAOWUJCRSA-N 1 3 357.542 2.834 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000417845962 513234503 /nfs/dbraw/zinc/23/45/03/513234503.db2.gz SUDWFFNCRGGTDS-KPFFTGBYSA-N 1 3 356.514 2.575 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000417851932 513238812 /nfs/dbraw/zinc/23/88/12/513238812.db2.gz YZFDZHWCCKCXBC-RLLQIKCJSA-N 1 3 358.530 2.871 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(Cc3cn(C)nc3C(C)(C)C)CC2)CC1 ZINC000421374595 513240182 /nfs/dbraw/zinc/24/01/82/513240182.db2.gz OAQHGQLDQRNGBE-UHFFFAOYSA-N 1 3 361.578 2.710 20 0 FFADHO CCN1CCC([N@H+]2CCCN(Cc3cn(C)nc3C(C)(C)C)CC2)CC1 ZINC000421374595 513240187 /nfs/dbraw/zinc/24/01/87/513240187.db2.gz OAQHGQLDQRNGBE-UHFFFAOYSA-N 1 3 361.578 2.710 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cc3cn(C)nc3C(C)(C)C)CC2)CC1 ZINC000421374595 513240189 /nfs/dbraw/zinc/24/01/89/513240189.db2.gz OAQHGQLDQRNGBE-UHFFFAOYSA-N 1 3 361.578 2.710 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CN1Cc1ccccc1 ZINC000417865305 513245482 /nfs/dbraw/zinc/24/54/82/513245482.db2.gz CITVWBPKLNLBHA-QUCCMNQESA-N 1 3 370.541 2.825 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000417873417 513248035 /nfs/dbraw/zinc/24/80/35/513248035.db2.gz LRSWBQASBGIVIW-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000446378581 513250835 /nfs/dbraw/zinc/25/08/35/513250835.db2.gz VPRROJPAXFCDOR-VXCZRNDOSA-N 1 3 373.541 2.765 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CN1Cc1ccccc1 ZINC000417887375 513257446 /nfs/dbraw/zinc/25/74/46/513257446.db2.gz ZZDGMGOHCPJHDG-JRGCBEDISA-N 1 3 370.541 2.681 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)CN1 ZINC000417900469 513266601 /nfs/dbraw/zinc/26/66/01/513266601.db2.gz USMPWUMZZMLSOS-LYYGHALDSA-N 1 3 358.530 2.535 20 0 FFADHO C[C@@H]1CN(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)CN1 ZINC000417900469 513266609 /nfs/dbraw/zinc/26/66/09/513266609.db2.gz USMPWUMZZMLSOS-LYYGHALDSA-N 1 3 358.530 2.535 20 0 FFADHO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434357055 513298272 /nfs/dbraw/zinc/29/82/72/513298272.db2.gz JCZQUGLYLBCGHQ-IBGZPJMESA-N 1 3 350.551 2.767 20 0 FFADHO O=C(NCC[NH2+]C1CCCCCC1)NCC1CCN(c2ccncc2)CC1 ZINC000417961451 513306605 /nfs/dbraw/zinc/30/66/05/513306605.db2.gz BFYSMDAHVUBCHB-UHFFFAOYSA-N 1 3 373.545 2.910 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418012839 513333636 /nfs/dbraw/zinc/33/36/36/513333636.db2.gz MMXQMJSENPXZQE-HZEGPAAWSA-N 1 3 370.541 2.538 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000418044033 513351474 /nfs/dbraw/zinc/35/14/74/513351474.db2.gz ZPGSFOHUQQIJMW-HOJAQTOUSA-N 1 3 360.546 2.912 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000418110984 513376247 /nfs/dbraw/zinc/37/62/47/513376247.db2.gz WZBAQCJFDIUOME-HXUWFJFHSA-N 1 3 358.530 2.540 20 0 FFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000418150733 513392752 /nfs/dbraw/zinc/39/27/52/513392752.db2.gz DIDHKNQKCCOWFT-VQTJNVASSA-N 1 3 372.557 2.928 20 0 FFADHO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418152818 513393210 /nfs/dbraw/zinc/39/32/10/513393210.db2.gz HXAPDIORMUCCPT-QHAWAJNXSA-N 1 3 366.509 2.691 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418162453 513400051 /nfs/dbraw/zinc/40/00/51/513400051.db2.gz UXYZAKGFRSKISV-BHIYHBOVSA-N 1 3 358.530 2.666 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000418175735 513406366 /nfs/dbraw/zinc/40/63/66/513406366.db2.gz SZSSQNKPZRDNQK-SFHVURJKSA-N 1 3 350.551 2.803 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000418181267 513409003 /nfs/dbraw/zinc/40/90/03/513409003.db2.gz LFQKNUZFISEBBL-YOEHRIQHSA-N 1 3 354.926 2.878 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418188991 513413268 /nfs/dbraw/zinc/41/32/68/513413268.db2.gz GWPJYHXCMKTLHW-PZJWPPBQSA-N 1 3 360.546 2.868 20 0 FFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418194644 513416580 /nfs/dbraw/zinc/41/65/80/513416580.db2.gz PEUGUADAWQETPR-ACRUOGEOSA-N 1 3 372.557 2.739 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000418208100 513421639 /nfs/dbraw/zinc/42/16/39/513421639.db2.gz QFSLNUGIORFFBO-IEBWSBKVSA-N 1 3 362.518 2.518 20 0 FFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418208086 513421754 /nfs/dbraw/zinc/42/17/54/513421754.db2.gz QDIYRBWREXNAKU-IEBWSBKVSA-N 1 3 364.534 2.749 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NCC2=CC[NH2+]CC2)N(CC)CC)cc1 ZINC000418222406 513427704 /nfs/dbraw/zinc/42/77/04/513427704.db2.gz WZIBZXMJXOKIEK-HXUWFJFHSA-N 1 3 358.530 2.851 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC2=CC[NH2+]CC2)N(CC)CC)cc1 ZINC000418222405 513428106 /nfs/dbraw/zinc/42/81/06/513428106.db2.gz WZIBZXMJXOKIEK-FQEVSTJZSA-N 1 3 358.530 2.851 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000434785246 513430361 /nfs/dbraw/zinc/43/03/61/513430361.db2.gz FDALEFCFAAKJBC-OAQYLSRUSA-N 1 3 356.558 2.935 20 0 FFADHO CC[NH2+]CCNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415811438 513433448 /nfs/dbraw/zinc/43/34/48/513433448.db2.gz XQCLJGQZAVHZTC-UHFFFAOYSA-N 1 3 354.882 2.544 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000418236257 513435292 /nfs/dbraw/zinc/43/52/92/513435292.db2.gz UOBWWXXYZVDXBP-QGZVFWFLSA-N 1 3 364.559 2.700 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418235371 513435333 /nfs/dbraw/zinc/43/53/33/513435333.db2.gz SGVRWZAXSLXMJV-QAPCUYQASA-N 1 3 364.559 2.700 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418236012 513435786 /nfs/dbraw/zinc/43/57/86/513435786.db2.gz LYGNXYHTHZWTPH-NSHGMRRFSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418236012 513435793 /nfs/dbraw/zinc/43/57/93/513435793.db2.gz LYGNXYHTHZWTPH-NSHGMRRFSA-N 1 3 358.530 2.681 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)Cc1ccccc1 ZINC000441015284 513460651 /nfs/dbraw/zinc/46/06/51/513460651.db2.gz KDLRNENXGTWGSP-CUWPLCDZSA-N 1 3 372.557 2.864 20 0 FFADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418334543 513468982 /nfs/dbraw/zinc/46/89/82/513468982.db2.gz GGYVPUOTZDYIBO-MISYRCLQSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000418337226 513469934 /nfs/dbraw/zinc/46/99/34/513469934.db2.gz BMXNOENBPFUWCP-SFHVURJKSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418342755 513473500 /nfs/dbraw/zinc/47/35/00/513473500.db2.gz NEYLRYCTJJQAJM-HMXCVIKNSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415938631 513489323 /nfs/dbraw/zinc/48/93/23/513489323.db2.gz PPFXCHNTMHNSBB-QFBILLFUSA-N 1 3 368.481 2.981 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000418402100 513495268 /nfs/dbraw/zinc/49/52/68/513495268.db2.gz AXWSOZPCNZWVHF-YZGWKJHDSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc4c(c3F)CCNC4)C2)CC1 ZINC000415954832 513497894 /nfs/dbraw/zinc/49/78/94/513497894.db2.gz LBEVWGVCADLJOA-INIZCTEOSA-N 1 3 360.477 2.667 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)[C@H]2C1 ZINC000415956986 513498500 /nfs/dbraw/zinc/49/85/00/513498500.db2.gz SLRWQPFOVBMTRA-DOMZBBRYSA-N 1 3 356.392 2.722 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418410516 513498745 /nfs/dbraw/zinc/49/87/45/513498745.db2.gz OOSZZHMWIFKYQB-NHCUHLMSSA-N 1 3 372.557 2.854 20 0 FFADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418410517 513499129 /nfs/dbraw/zinc/49/91/29/513499129.db2.gz OOSZZHMWIFKYQB-RTWAWAEBSA-N 1 3 372.557 2.854 20 0 FFADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418423562 513504167 /nfs/dbraw/zinc/50/41/67/513504167.db2.gz FWKVNFKQKVNQLO-HXUWFJFHSA-N 1 3 367.497 2.639 20 0 FFADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425330748 513516187 /nfs/dbraw/zinc/51/61/87/513516187.db2.gz YFABXMUHLNIMRC-PWRODBHTSA-N 1 3 355.526 2.984 20 0 FFADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425330748 513516191 /nfs/dbraw/zinc/51/61/91/513516191.db2.gz YFABXMUHLNIMRC-PWRODBHTSA-N 1 3 355.526 2.984 20 0 FFADHO C[C@@H](C[NH3+])CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000418474500 513524990 /nfs/dbraw/zinc/52/49/90/513524990.db2.gz POQAFSBETKJAFQ-IBGZPJMESA-N 1 3 368.525 2.925 20 0 FFADHO CC(C)N1CCCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418499226 513535310 /nfs/dbraw/zinc/53/53/10/513535310.db2.gz LHBFIOLTPDOYCI-HXUWFJFHSA-N 1 3 354.498 2.965 20 0 FFADHO CCOc1c(Cl)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000441332250 513541321 /nfs/dbraw/zinc/54/13/21/513541321.db2.gz JSCITNAXUGQSFW-UHFFFAOYSA-N 1 3 369.937 2.863 20 0 FFADHO CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418522738 513542864 /nfs/dbraw/zinc/54/28/64/513542864.db2.gz TYAIJXIXMDGYSD-LJQANCHMSA-N 1 3 358.530 2.682 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418533671 513546012 /nfs/dbraw/zinc/54/60/12/513546012.db2.gz DQWUQSYSWRDJSO-IFMALSPDSA-N 1 3 372.557 2.930 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418535716 513548001 /nfs/dbraw/zinc/54/80/01/513548001.db2.gz HTVFSMZKZDUONE-RXVVDRJESA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418553057 513554284 /nfs/dbraw/zinc/55/42/84/513554284.db2.gz LXSGQQBXBGSXBG-UHFFFAOYSA-N 1 3 370.472 2.702 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000418573641 513564045 /nfs/dbraw/zinc/56/40/45/513564045.db2.gz UNYSRLFNRHLOAO-QFBILLFUSA-N 1 3 358.530 2.666 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000430142615 513566118 /nfs/dbraw/zinc/56/61/18/513566118.db2.gz VAGKKEOPHLMFKU-SXWKCWPCSA-N 1 3 370.585 2.991 20 0 FFADHO CCN1CCN(c2ccccc2CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000430142615 513566126 /nfs/dbraw/zinc/56/61/26/513566126.db2.gz VAGKKEOPHLMFKU-SXWKCWPCSA-N 1 3 370.585 2.991 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418628220 513582141 /nfs/dbraw/zinc/58/21/41/513582141.db2.gz BWIQDDJBXUITQE-QMMLZNLJSA-N 1 3 368.525 2.532 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418628220 513582148 /nfs/dbraw/zinc/58/21/48/513582148.db2.gz BWIQDDJBXUITQE-QMMLZNLJSA-N 1 3 368.525 2.532 20 0 FFADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000418636948 513585393 /nfs/dbraw/zinc/58/53/93/513585393.db2.gz MTSORIKOVBKIMO-HXUWFJFHSA-N 1 3 356.514 2.533 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430245136 513597785 /nfs/dbraw/zinc/59/77/85/513597785.db2.gz ZYAKNDVHJUURPR-WIYYLYMNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430245136 513597788 /nfs/dbraw/zinc/59/77/88/513597788.db2.gz ZYAKNDVHJUURPR-WIYYLYMNSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@H](CCC[NH3+])NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418691928 513615421 /nfs/dbraw/zinc/61/54/21/513615421.db2.gz RLKAVXUAQHMMJY-NQIIRXRSSA-N 1 3 358.530 2.812 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416171762 513620786 /nfs/dbraw/zinc/62/07/86/513620786.db2.gz RXORLBZHDFRLFG-VQTJNVASSA-N 1 3 361.530 2.639 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418735814 513629992 /nfs/dbraw/zinc/62/99/92/513629992.db2.gz WSDQFZCPDZKRPT-MISYRCLQSA-N 1 3 358.530 2.810 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000422204998 513637405 /nfs/dbraw/zinc/63/74/05/513637405.db2.gz IXNVFRZDNZHVSK-FUHWJXTLSA-N 1 3 364.559 2.747 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000422204998 513637412 /nfs/dbraw/zinc/63/74/12/513637412.db2.gz IXNVFRZDNZHVSK-FUHWJXTLSA-N 1 3 364.559 2.747 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418762637 513645563 /nfs/dbraw/zinc/64/55/63/513645563.db2.gz HGWSHWSSTMHIAD-LJQANCHMSA-N 1 3 373.545 2.862 20 0 FFADHO C[NH+](C)[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000430428025 513651284 /nfs/dbraw/zinc/65/12/84/513651284.db2.gz RDIZIBXXCIOFEQ-FQEVSTJZSA-N 1 3 372.557 2.532 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000418786439 513657361 /nfs/dbraw/zinc/65/73/61/513657361.db2.gz ICEAUNTUTFQODH-BVOGOJNSSA-N 1 3 370.541 2.681 20 0 FFADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418796007 513661672 /nfs/dbraw/zinc/66/16/72/513661672.db2.gz RBEMSNSNTUMUBF-PCCBWWKXSA-N 1 3 372.557 2.581 20 0 FFADHO CN1C[C@@H]2CCCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)[C@@H]2C1 ZINC000425639938 513673814 /nfs/dbraw/zinc/67/38/14/513673814.db2.gz ONCSWWLIGUODMC-VQTJNVASSA-N 1 3 356.514 2.518 20 0 FFADHO C[C@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000435753801 513677173 /nfs/dbraw/zinc/67/71/73/513677173.db2.gz SWWHHKKZAYDXRH-WIYYLYMNSA-N 1 3 357.542 2.930 20 0 FFADHO COc1cnccc1N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451369684 513704688 /nfs/dbraw/zinc/70/46/88/513704688.db2.gz BQXZUQYORLOELK-IBGZPJMESA-N 1 3 372.513 2.536 20 0 FFADHO COc1cnccc1N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451369684 513704694 /nfs/dbraw/zinc/70/46/94/513704694.db2.gz BQXZUQYORLOELK-IBGZPJMESA-N 1 3 372.513 2.536 20 0 FFADHO C[C@@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)C1CC[NH2+]CC1 ZINC000430702913 513727903 /nfs/dbraw/zinc/72/79/03/513727903.db2.gz RVWZBHSXODYVQW-INIZCTEOSA-N 1 3 359.514 2.608 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000430908825 513779007 /nfs/dbraw/zinc/77/90/07/513779007.db2.gz KYBQKFBTZYSMQJ-CGXNFDGLSA-N 1 3 373.541 2.733 20 0 FFADHO Cc1cccc(N2CCC(NCc3cc(C4CC[NH2+]CC4)no3)CC2)n1 ZINC000425894524 513790316 /nfs/dbraw/zinc/79/03/16/513790316.db2.gz GPYCFGBZIXKBDI-UHFFFAOYSA-N 1 3 355.486 2.604 20 0 FFADHO Cc1ncccc1OC[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000419395026 513796671 /nfs/dbraw/zinc/79/66/71/513796671.db2.gz TUAOJOMDMRDUTA-HXUWFJFHSA-N 1 3 360.546 2.649 20 0 FFADHO Cc1ncccc1OC[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000419395026 513796675 /nfs/dbraw/zinc/79/66/75/513796675.db2.gz TUAOJOMDMRDUTA-HXUWFJFHSA-N 1 3 360.546 2.649 20 0 FFADHO Fc1ccc(Br)cc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422705367 513908240 /nfs/dbraw/zinc/90/82/40/513908240.db2.gz RKRWXNCJUUYEFV-DJIMGWMZSA-N 1 3 371.294 2.877 20 0 FFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422779867 513930312 /nfs/dbraw/zinc/93/03/12/513930312.db2.gz JLDPPNFCKJUBSU-YTQUADARSA-N 1 3 351.922 2.820 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422779867 513930316 /nfs/dbraw/zinc/93/03/16/513930316.db2.gz JLDPPNFCKJUBSU-YTQUADARSA-N 1 3 351.922 2.820 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422786588 513932179 /nfs/dbraw/zinc/93/21/79/513932179.db2.gz SSIQZWXNVUYMSS-MNEFBYGVSA-N 1 3 351.922 2.691 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000422788565 513933217 /nfs/dbraw/zinc/93/32/17/513933217.db2.gz SKMCHZJMDLABJE-MSOLQXFVSA-N 1 3 367.541 2.710 20 0 FFADHO [NH3+][C@H]1C[C@H](NCCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422814466 513940262 /nfs/dbraw/zinc/94/02/62/513940262.db2.gz UYWNWNOCKRLQFU-VXKWHMMOSA-N 1 3 350.510 2.933 20 0 FFADHO N[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422814466 513940270 /nfs/dbraw/zinc/94/02/70/513940270.db2.gz UYWNWNOCKRLQFU-VXKWHMMOSA-N 1 3 350.510 2.933 20 0 FFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422828175 513944228 /nfs/dbraw/zinc/94/42/28/513944228.db2.gz NTQXGUPTMPNYTM-FFZOFVMBSA-N 1 3 364.493 2.927 20 0 FFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832228 513946234 /nfs/dbraw/zinc/94/62/34/513946234.db2.gz KVNOXAFDIYVKPB-YOEHRIQHSA-N 1 3 366.431 3.451 20 0 FFADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H](C)Oc1ccccc1Br ZINC000422838291 513947188 /nfs/dbraw/zinc/94/71/88/513947188.db2.gz OBXHBPZIEMKUHZ-RGCMKSIDSA-N 1 3 357.292 2.558 20 0 FFADHO [NH3+][C@H]1CCC[C@H]1NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422843659 513948285 /nfs/dbraw/zinc/94/82/85/513948285.db2.gz JDHRDLPYHDEUOT-XZOQPEGZSA-N 1 3 364.537 2.978 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422856065 513953315 /nfs/dbraw/zinc/95/33/15/513953315.db2.gz FNEPBFCVXQQINZ-VOQZNFBZSA-N 1 3 357.542 2.918 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422856065 513953317 /nfs/dbraw/zinc/95/33/17/513953317.db2.gz FNEPBFCVXQQINZ-VOQZNFBZSA-N 1 3 357.542 2.918 20 0 FFADHO COc1ccc(Cl)cc1C1(CN[C@H](C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000422896723 513967826 /nfs/dbraw/zinc/96/78/26/513967826.db2.gz ARGWXEYQVCGBMG-CABCVRRESA-N 1 3 352.906 2.984 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416797747 513971935 /nfs/dbraw/zinc/97/19/35/513971935.db2.gz YXGNFVRBRIEGFC-WOJBJXKFSA-N 1 3 370.541 2.682 20 0 FFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422907255 513971926 /nfs/dbraw/zinc/97/19/26/513971926.db2.gz WQVNLEREOFKVEG-AEFFLSMTSA-N 1 3 350.938 2.569 20 0 FFADHO CCOC(=O)C1([C@@H](C)NC2(c3nc(C)cs3)CCC2)CC[NH2+]CC1 ZINC000422941154 513984992 /nfs/dbraw/zinc/98/49/92/513984992.db2.gz NXTSCLLUMFLKAT-CQSZACIVSA-N 1 3 351.516 2.742 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000422945771 513986643 /nfs/dbraw/zinc/98/66/43/513986643.db2.gz NVGICJJYRKPDMU-ACZWYYKOSA-N 1 3 359.514 2.543 20 0 FFADHO COC[C@H](CCC[NH3+])NCc1cc(Br)ccc1OC(F)F ZINC000422948011 513987608 /nfs/dbraw/zinc/98/76/08/513987608.db2.gz RJSAZMODFGZMLQ-LBPRGKRZSA-N 1 3 367.234 2.894 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C[C@@H]1C[NH3+] ZINC000416831345 513989165 /nfs/dbraw/zinc/98/91/65/513989165.db2.gz BAQOIGMQGOEJDY-OWCLPIDISA-N 1 3 350.532 2.511 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416831865 513989603 /nfs/dbraw/zinc/98/96/03/513989603.db2.gz BMNOCJNTNYLLFW-JYJNAYRXSA-N 1 3 350.532 2.796 20 0 FFADHO CCc1noc(-c2ccc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422955933 513990303 /nfs/dbraw/zinc/99/03/03/513990303.db2.gz KIGLZNQFERIVPQ-GUDVDZBRSA-N 1 3 370.497 2.588 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)N(C)C)cc1 ZINC000416837243 513991330 /nfs/dbraw/zinc/99/13/30/513991330.db2.gz HMIBNQXCGXZDER-BJLQDIEVSA-N 1 3 360.546 2.916 20 0 FFADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416839227 513992933 /nfs/dbraw/zinc/99/29/33/513992933.db2.gz JVDLTCUJIWPJHP-CVEARBPZSA-N 1 3 352.548 2.676 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000416841693 513996524 /nfs/dbraw/zinc/99/65/24/513996524.db2.gz MJVGFAHFWYOONV-HRCADAONSA-N 1 3 350.532 2.654 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000416844131 513998748 /nfs/dbraw/zinc/99/87/48/513998748.db2.gz PNIAQVKCPCCJJZ-WOJBJXKFSA-N 1 3 354.498 2.851 20 0 FFADHO CC(C)[C@@H]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C[C@H]1C ZINC000414180485 513999684 /nfs/dbraw/zinc/99/96/84/513999684.db2.gz BGNHCZSBHNZSBR-AABGKKOBSA-N 1 3 351.579 2.833 20 0 FFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000422991401 514001946 /nfs/dbraw/zinc/00/19/46/514001946.db2.gz PQZOKPFLJCRTRN-YUMYIRISSA-N 1 3 357.542 2.837 20 0 FFADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414192674 514005112 /nfs/dbraw/zinc/00/51/12/514005112.db2.gz MDYNYQKYDHLCJD-NRFANRHFSA-N 1 3 359.558 2.702 20 0 FFADHO C[C@H](Cc1coc2ccccc12)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195068 514005646 /nfs/dbraw/zinc/00/56/46/514005646.db2.gz NPBPMVVNHVVQGM-GOSISDBHSA-N 1 3 371.525 2.750 20 0 FFADHO COc1cccc([C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N2CCCC2)c1 ZINC000416856141 514006430 /nfs/dbraw/zinc/00/64/30/514006430.db2.gz QVOHFXCOEAPUII-LJQANCHMSA-N 1 3 374.529 2.521 20 0 FFADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000443638623 514008666 /nfs/dbraw/zinc/00/86/66/514008666.db2.gz AULWPGPXSPAZCQ-GIVPXCGWSA-N 1 3 357.542 2.858 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C(F)(F)F)C1 ZINC000431823148 514012219 /nfs/dbraw/zinc/01/22/19/514012219.db2.gz MJAQKWTVURQQGP-GBJTYRQASA-N 1 3 361.452 2.638 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C(F)(F)F)C1 ZINC000431823148 514012223 /nfs/dbraw/zinc/01/22/23/514012223.db2.gz MJAQKWTVURQQGP-GBJTYRQASA-N 1 3 361.452 2.638 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCOc3c(F)cccc32)CC[NH2+]CC1 ZINC000423044188 514016568 /nfs/dbraw/zinc/01/65/68/514016568.db2.gz QOSZJQHDJGCSEO-YOEHRIQHSA-N 1 3 364.461 2.950 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cn(C(C)(C)C)nc2C)CC[NH2+]CC1 ZINC000423046215 514017706 /nfs/dbraw/zinc/01/77/06/514017706.db2.gz FDVXAMNQIJCVKL-HOCLYGCPSA-N 1 3 364.534 2.919 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCOc3c(F)cccc32)CC[NH2+]CC1 ZINC000423053273 514019245 /nfs/dbraw/zinc/01/92/45/514019245.db2.gz AGHHUFVAQGASDH-CJNGLKHVSA-N 1 3 350.434 2.560 20 0 FFADHO CCOC(=O)C1([C@@H](C)N[C@H](COC)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423088879 514038175 /nfs/dbraw/zinc/03/81/75/514038175.db2.gz RDDFZYSBNIHIOM-RHSMWYFYSA-N 1 3 368.905 2.939 20 0 FFADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000431922348 514040966 /nfs/dbraw/zinc/04/09/66/514040966.db2.gz KPKWBZLRALNNCE-KRWDZBQOSA-N 1 3 353.576 2.729 20 0 FFADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000431922348 514040971 /nfs/dbraw/zinc/04/09/71/514040971.db2.gz KPKWBZLRALNNCE-KRWDZBQOSA-N 1 3 353.576 2.729 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cn(C)c2ccc(F)cc12 ZINC000431928005 514043684 /nfs/dbraw/zinc/04/36/84/514043684.db2.gz UCSBLCGOGXUJJO-KRWDZBQOSA-N 1 3 374.504 2.806 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cn(C)c2ccc(F)cc12 ZINC000431928005 514043690 /nfs/dbraw/zinc/04/36/90/514043690.db2.gz UCSBLCGOGXUJJO-KRWDZBQOSA-N 1 3 374.504 2.806 20 0 FFADHO Cc1cc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)ccc1C(F)(F)F ZINC000414321988 514047506 /nfs/dbraw/zinc/04/75/06/514047506.db2.gz DXSGHENCOOXWHU-HNNXBMFYSA-N 1 3 357.420 2.691 20 0 FFADHO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414329491 514050172 /nfs/dbraw/zinc/05/01/72/514050172.db2.gz QPUZCLOOAVYDCD-QGZVFWFLSA-N 1 3 373.541 2.679 20 0 FFADHO COc1ccc(C[C@](C)(O)CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000423141614 514057809 /nfs/dbraw/zinc/05/78/09/514057809.db2.gz QWQVRHTWJCLGKM-BPXKWBHBSA-N 1 3 372.509 2.545 20 0 FFADHO CC(=O)Nc1ccc(CN2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000423147513 514059474 /nfs/dbraw/zinc/05/94/74/514059474.db2.gz CQALLDKOJDWLLU-NQIIRXRSSA-N 1 3 358.530 2.717 20 0 FFADHO C[C@@H](CC[NH3+])NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416945598 514059544 /nfs/dbraw/zinc/05/95/44/514059544.db2.gz AEPLAKMOYQCUNT-INIZCTEOSA-N 1 3 354.498 2.952 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423149038 514060783 /nfs/dbraw/zinc/06/07/83/514060783.db2.gz ADZPISQEAJGCCP-ZQIUZPCESA-N 1 3 373.310 2.846 20 0 FFADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C2CCN(CCN(C)C)CC2)CC1 ZINC000449073487 514061546 /nfs/dbraw/zinc/06/15/46/514061546.db2.gz IQSRRJNGHLXLTQ-FQEVSTJZSA-N 1 3 372.601 2.698 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000416970591 514075965 /nfs/dbraw/zinc/07/59/65/514075965.db2.gz FIPHODOPNJVGFU-PXNSSMCTSA-N 1 3 358.530 2.871 20 0 FFADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccccc2Oc2ccccc2)C1 ZINC000420295508 514076612 /nfs/dbraw/zinc/07/66/12/514076612.db2.gz PJBBZXGWLXWBMC-GOSISDBHSA-N 1 3 353.466 2.766 20 0 FFADHO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299478 514078473 /nfs/dbraw/zinc/07/84/73/514078473.db2.gz ITTUXBHNKZUGFT-HKBOAZHASA-N 1 3 354.494 2.633 20 0 FFADHO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420299478 514078480 /nfs/dbraw/zinc/07/84/80/514078480.db2.gz ITTUXBHNKZUGFT-HKBOAZHASA-N 1 3 354.494 2.633 20 0 FFADHO COc1ccccc1C[C@H]1CCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299478 514078488 /nfs/dbraw/zinc/07/84/88/514078488.db2.gz ITTUXBHNKZUGFT-HKBOAZHASA-N 1 3 354.494 2.633 20 0 FFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000449115533 514078967 /nfs/dbraw/zinc/07/89/67/514078967.db2.gz HVJKBBDBCSABQD-LJQANCHMSA-N 1 3 362.514 2.835 20 0 FFADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000420302278 514080721 /nfs/dbraw/zinc/08/07/21/514080721.db2.gz JLYHHHXNXXHEHU-FXAWDEMLSA-N 1 3 373.541 2.708 20 0 FFADHO COc1ccc([C@H](C[NH3+])CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000420302494 514080850 /nfs/dbraw/zinc/08/08/50/514080850.db2.gz MIVKUBCPKPLPSA-OAQYLSRUSA-N 1 3 353.510 2.945 20 0 FFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000423223967 514082940 /nfs/dbraw/zinc/08/29/40/514082940.db2.gz BBDFRCBEHCRYOA-XLIONFOSSA-N 1 3 357.546 2.946 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000416978425 514086116 /nfs/dbraw/zinc/08/61/16/514086116.db2.gz RCUJTNMLGWIJNT-SFHVURJKSA-N 1 3 358.530 2.730 20 0 FFADHO Cc1cc(C)c(CCNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420325995 514095354 /nfs/dbraw/zinc/09/53/54/514095354.db2.gz IWNKZNLQTDQWMJ-VQTJNVASSA-N 1 3 357.542 2.592 20 0 FFADHO Cc1ccc(F)c(N2CCC[C@H](N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)C2=O)c1 ZINC000420334838 514099431 /nfs/dbraw/zinc/09/94/31/514099431.db2.gz ULVDKOCMCZZLDR-AOIWGVFYSA-N 1 3 359.489 2.951 20 0 FFADHO CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335393 514099810 /nfs/dbraw/zinc/09/98/10/514099810.db2.gz HHMOOHUJOJDQCO-KBPBESRZSA-N 1 3 355.935 2.681 20 0 FFADHO C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344519 514102277 /nfs/dbraw/zinc/10/22/77/514102277.db2.gz TUCMUOFHBCFKSP-MCIONIFRSA-N 1 3 353.413 2.546 20 0 FFADHO CN(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H]1CCCc2ccccc21 ZINC000420345406 514104672 /nfs/dbraw/zinc/10/46/72/514104672.db2.gz WDUMNMIIIRSAMX-ZJOUEHCJSA-N 1 3 355.526 2.844 20 0 FFADHO [NH3+]C[C@H](NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCCCC1 ZINC000420357987 514108387 /nfs/dbraw/zinc/10/83/87/514108387.db2.gz IMNVCUDKMCYDMO-IBGZPJMESA-N 1 3 372.513 2.639 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000417004573 514109461 /nfs/dbraw/zinc/10/94/61/514109461.db2.gz CREFKXVHJZFSBU-WFXMLNOXSA-N 1 3 372.557 2.888 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CCCNCC2)C1 ZINC000417003500 514109951 /nfs/dbraw/zinc/10/99/51/514109951.db2.gz OUHFHBYRAHEJPX-HDICACEKSA-N 1 3 358.530 2.669 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCCNCC2)C1 ZINC000417003500 514109958 /nfs/dbraw/zinc/10/99/58/514109958.db2.gz OUHFHBYRAHEJPX-HDICACEKSA-N 1 3 358.530 2.669 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000417006617 514111538 /nfs/dbraw/zinc/11/15/38/514111538.db2.gz JVHZJWHVNYTODK-DOTOQJQBSA-N 1 3 352.548 2.820 20 0 FFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000417012232 514118740 /nfs/dbraw/zinc/11/87/40/514118740.db2.gz WLKFIVXLLLYEDP-DJIMGWMZSA-N 1 3 352.548 2.948 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423363605 514118914 /nfs/dbraw/zinc/11/89/14/514118914.db2.gz URSWIFBOGIAXJV-CQSZACIVSA-N 1 3 369.465 2.814 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)CNC3)c1 ZINC000423363605 514118920 /nfs/dbraw/zinc/11/89/20/514118920.db2.gz URSWIFBOGIAXJV-CQSZACIVSA-N 1 3 369.465 2.814 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccsc1 ZINC000417013930 514119814 /nfs/dbraw/zinc/11/98/14/514119814.db2.gz ZHIRBWPXCNXRCV-KRWDZBQOSA-N 1 3 364.559 2.916 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423372131 514120254 /nfs/dbraw/zinc/12/02/54/514120254.db2.gz GUNMWUVNXYLGMI-AWEZNQCLSA-N 1 3 359.495 2.902 20 0 FFADHO CC[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000417015510 514121315 /nfs/dbraw/zinc/12/13/15/514121315.db2.gz MPGUISNVIBCGSU-PWIZWCRZSA-N 1 3 358.530 2.735 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417029338 514129672 /nfs/dbraw/zinc/12/96/72/514129672.db2.gz OZBZTJGDXIZTDO-FQEVSTJZSA-N 1 3 370.541 2.999 20 0 FFADHO CN1CCC(C[NH2+]Cc2ccc(C3CCC3)cc2)(N2CCOCC2)CC1 ZINC000414483983 514145759 /nfs/dbraw/zinc/14/57/59/514145759.db2.gz NJOUUNGXTJYBJG-UHFFFAOYSA-N 1 3 357.542 2.840 20 0 FFADHO Cc1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)c(=O)n1C ZINC000449287445 514146614 /nfs/dbraw/zinc/14/66/14/514146614.db2.gz KQAMCXWSNWAKBC-GOSISDBHSA-N 1 3 353.510 2.879 20 0 FFADHO CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423496147 514152899 /nfs/dbraw/zinc/15/28/99/514152899.db2.gz DLGZDKBKLVTYOO-BEFAXECRSA-N 1 3 361.511 2.726 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449312145 514157774 /nfs/dbraw/zinc/15/77/74/514157774.db2.gz PHMUNPLGMHTQQU-GMAHTHKFSA-N 1 3 363.505 2.871 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000449311055 514158366 /nfs/dbraw/zinc/15/83/66/514158366.db2.gz IYXSBKUQMIWFRF-QMMLZNLJSA-N 1 3 362.558 2.830 20 0 FFADHO NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423518860 514159429 /nfs/dbraw/zinc/15/94/29/514159429.db2.gz PJBRFIMJAFQBCK-VQTJNVASSA-N 1 3 373.522 2.781 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCc2ccccc2C1 ZINC000417089060 514163502 /nfs/dbraw/zinc/16/35/02/514163502.db2.gz MWQRMIAPYZFLFM-KRWDZBQOSA-N 1 3 358.530 2.594 20 0 FFADHO O=C(C[C@H]1CCC[NH2+]CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000427275858 514169050 /nfs/dbraw/zinc/16/90/50/514169050.db2.gz UYMPRCDUPFHIHJ-KRWDZBQOSA-N 1 3 353.576 2.634 20 0 FFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427310380 514179384 /nfs/dbraw/zinc/17/93/84/514179384.db2.gz YZWOMUYICUTMKV-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427310380 514179392 /nfs/dbraw/zinc/17/93/92/514179392.db2.gz YZWOMUYICUTMKV-WSTZPKSXSA-N 1 3 365.562 2.599 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437651005 514202343 /nfs/dbraw/zinc/20/23/43/514202343.db2.gz CKDSODPMGYKZTD-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO CC1CCN(CCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437651005 514202349 /nfs/dbraw/zinc/20/23/49/514202349.db2.gz CKDSODPMGYKZTD-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO CN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423715539 514209670 /nfs/dbraw/zinc/20/96/70/514209670.db2.gz UPFPPJPQQVZDGO-QFIPXVFZSA-N 1 3 363.505 2.721 20 0 FFADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423801630 514233283 /nfs/dbraw/zinc/23/32/83/514233283.db2.gz UCWBZMFSUURQRH-LJQANCHMSA-N 1 3 358.530 2.661 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC000414711609 514253399 /nfs/dbraw/zinc/25/33/99/514253399.db2.gz SNIGKDFZLKVYGO-SFHVURJKSA-N 1 3 363.933 2.792 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC000414711609 514253404 /nfs/dbraw/zinc/25/34/04/514253404.db2.gz SNIGKDFZLKVYGO-SFHVURJKSA-N 1 3 363.933 2.792 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000423848081 514262137 /nfs/dbraw/zinc/26/21/37/514262137.db2.gz NEVMSQVMWFLVNU-LQJIQPLVSA-N 1 3 356.514 2.644 20 0 FFADHO C[C@H](CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423850861 514263851 /nfs/dbraw/zinc/26/38/51/514263851.db2.gz QARFXCQSDOTZHP-ZIFCJYIRSA-N 1 3 358.530 2.749 20 0 FFADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000414755730 514275902 /nfs/dbraw/zinc/27/59/02/514275902.db2.gz PNGSTNRBYCKXQA-KDOFPFPSSA-N 1 3 351.441 2.689 20 0 FFADHO Cc1ccc([C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C2CCC2)cc1 ZINC000427697168 514288152 /nfs/dbraw/zinc/28/81/52/514288152.db2.gz QAKDUSRIPXBNPD-QFIPXVFZSA-N 1 3 359.558 2.816 20 0 FFADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000417321829 514294505 /nfs/dbraw/zinc/29/45/05/514294505.db2.gz UJWUPWVLKHUHES-UYAOXDASSA-N 1 3 358.530 2.730 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)N2CCCC2)cc1 ZINC000417352229 514306217 /nfs/dbraw/zinc/30/62/17/514306217.db2.gz FOJQGMMENCKEFL-AABGKKOBSA-N 1 3 356.514 2.525 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](C4CCCC4)C3)CC2)CC1 ZINC000420806002 514310560 /nfs/dbraw/zinc/31/05/60/514310560.db2.gz VLKHWALLJOMNLX-SFHVURJKSA-N 1 3 362.562 2.767 20 0 FFADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000417361383 514312285 /nfs/dbraw/zinc/31/22/85/514312285.db2.gz YVGREQMNZWGZOT-QUCCMNQESA-N 1 3 358.530 2.773 20 0 FFADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CCCC1 ZINC000417365224 514314742 /nfs/dbraw/zinc/31/47/42/514314742.db2.gz LUXNVLPNKSCHDH-CRAIPNDOSA-N 1 3 364.559 2.777 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420827815 514322433 /nfs/dbraw/zinc/32/24/33/514322433.db2.gz SQNXPVLLRMEFAJ-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420827815 514322439 /nfs/dbraw/zinc/32/24/39/514322439.db2.gz SQNXPVLLRMEFAJ-IHPCNDPISA-N 1 3 358.530 2.633 20 0 FFADHO CCCN(C(=O)NCC1CCN(Cc2cccs2)CC1)[C@@H]1CC[NH2+]C1 ZINC000417381161 514323340 /nfs/dbraw/zinc/32/33/40/514323340.db2.gz LVOWGNLKNCKZHJ-QGZVFWFLSA-N 1 3 364.559 2.744 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)c1 ZINC000414859764 514327297 /nfs/dbraw/zinc/32/72/97/514327297.db2.gz NRJSIJIAEOARDN-HNNXBMFYSA-N 1 3 361.486 2.832 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417389274 514327942 /nfs/dbraw/zinc/32/79/42/514327942.db2.gz XDXRCCXANHSUDP-MRXNPFEDSA-N 1 3 352.548 2.777 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438345467 514361372 /nfs/dbraw/zinc/36/13/72/514361372.db2.gz MRKDKZGXQUNWIP-MISYRCLQSA-N 1 3 362.562 2.909 20 0 FFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438345467 514361374 /nfs/dbraw/zinc/36/13/74/514361374.db2.gz MRKDKZGXQUNWIP-MISYRCLQSA-N 1 3 362.562 2.909 20 0 FFADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C[C@@H]1C[NH3+] ZINC000424074482 514370170 /nfs/dbraw/zinc/37/01/70/514370170.db2.gz ODWJTTOTLMQKII-JFRXWTBNSA-N 1 3 361.505 2.870 20 0 FFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccnc2s1 ZINC000449828765 514376080 /nfs/dbraw/zinc/37/60/80/514376080.db2.gz XWISLKBCHMWGEW-MRXNPFEDSA-N 1 3 360.527 2.784 20 0 FFADHO c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942880 514391664 /nfs/dbraw/zinc/39/16/64/514391664.db2.gz VVRWSNXEMHTUMZ-JTHBVZDNSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942880 514391672 /nfs/dbraw/zinc/39/16/72/514391672.db2.gz VVRWSNXEMHTUMZ-JTHBVZDNSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942880 514391678 /nfs/dbraw/zinc/39/16/78/514391678.db2.gz VVRWSNXEMHTUMZ-JTHBVZDNSA-N 1 3 369.553 2.968 20 0 FFADHO c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1CN1CCOCC1 ZINC000420942880 514391684 /nfs/dbraw/zinc/39/16/84/514391684.db2.gz VVRWSNXEMHTUMZ-JTHBVZDNSA-N 1 3 369.553 2.968 20 0 FFADHO C[C@H]1C[C@H]1N1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H](C)C1 ZINC000420960354 514402313 /nfs/dbraw/zinc/40/23/13/514402313.db2.gz GPIHUNHXKONPOJ-XQBPLPMBSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@H]1C[C@H]1N1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H](C)C1 ZINC000420960354 514402318 /nfs/dbraw/zinc/40/23/18/514402318.db2.gz GPIHUNHXKONPOJ-XQBPLPMBSA-N 1 3 357.542 2.681 20 0 FFADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417583676 514421954 /nfs/dbraw/zinc/42/19/54/514421954.db2.gz LFFUSFDGWVUIRN-SVPXJYONSA-N 1 3 356.514 2.574 20 0 FFADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000417583676 514421962 /nfs/dbraw/zinc/42/19/62/514421962.db2.gz LFFUSFDGWVUIRN-SVPXJYONSA-N 1 3 356.514 2.574 20 0 FFADHO COc1cc(CN2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000415086185 514437901 /nfs/dbraw/zinc/43/79/01/514437901.db2.gz RJVXLIJINPMSQB-GUGJDKNPSA-N 1 3 373.541 2.788 20 0 FFADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1OC(F)F ZINC000415091348 514438824 /nfs/dbraw/zinc/43/88/24/514438824.db2.gz YYRHGYAWQXANJN-DZGCQCFKSA-N 1 3 355.429 2.526 20 0 FFADHO CCCOc1ccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424302432 514451559 /nfs/dbraw/zinc/45/15/59/514451559.db2.gz ZNJRLKPULWJLRK-KRWDZBQOSA-N 1 3 359.514 2.556 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cc(C)cc(C)c1 ZINC000465983612 514533271 /nfs/dbraw/zinc/53/32/71/514533271.db2.gz OPAXJQXVXSURFW-NRFANRHFSA-N 1 3 374.573 2.903 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cc(C)cc(C)c1 ZINC000465983612 514533280 /nfs/dbraw/zinc/53/32/80/514533280.db2.gz OPAXJQXVXSURFW-NRFANRHFSA-N 1 3 374.573 2.903 20 0 FFADHO C[C@H]1CC[C@H](C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)O1 ZINC000475043792 514535963 /nfs/dbraw/zinc/53/59/63/514535963.db2.gz FIKNOZXSHLNZAE-GHTZIAJQSA-N 1 3 373.541 2.514 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000466000704 514536549 /nfs/dbraw/zinc/53/65/49/514536549.db2.gz IQUJSUXALQNWGL-JFIYKMOQSA-N 1 3 364.559 2.915 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000466000704 514536555 /nfs/dbraw/zinc/53/65/55/514536555.db2.gz IQUJSUXALQNWGL-JFIYKMOQSA-N 1 3 364.559 2.915 20 0 FFADHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453078843 514537968 /nfs/dbraw/zinc/53/79/68/514537968.db2.gz KPCPZSNJIAOQBE-VSKRKVRLSA-N 1 3 359.558 2.988 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)N(C)C)cc1 ZINC000458058447 514549027 /nfs/dbraw/zinc/54/90/27/514549027.db2.gz ZPCDZYLJKGKIGQ-PZJWPPBQSA-N 1 3 358.530 2.725 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)N(C)C)cc1 ZINC000458058447 514549032 /nfs/dbraw/zinc/54/90/32/514549032.db2.gz ZPCDZYLJKGKIGQ-PZJWPPBQSA-N 1 3 358.530 2.725 20 0 FFADHO CCCN(CCC[NH+](C)C)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000470667906 514568541 /nfs/dbraw/zinc/56/85/41/514568541.db2.gz MFLVYHYJQKMXJK-UHFFFAOYSA-N 1 3 374.573 2.697 20 0 FFADHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000475135997 514568678 /nfs/dbraw/zinc/56/86/78/514568678.db2.gz HJJVUKJPEMGHRX-UYAOXDASSA-N 1 3 358.530 2.634 20 0 FFADHO CC/C=C\CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453331030 514602484 /nfs/dbraw/zinc/60/24/84/514602484.db2.gz VJANUSBYWCLRMV-MWWKQMNYSA-N 1 3 353.532 2.533 20 0 FFADHO COc1cc(C)c(C[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000502336622 514619210 /nfs/dbraw/zinc/61/92/10/514619210.db2.gz VUEKKWUPIBEKJI-KRWDZBQOSA-N 1 3 363.546 2.559 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CN1Cc1ccccc1 ZINC000466501854 514666119 /nfs/dbraw/zinc/66/61/19/514666119.db2.gz GJWDPNCIUYOWKC-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CN1Cc1ccccc1 ZINC000466501854 514666133 /nfs/dbraw/zinc/66/61/33/514666133.db2.gz GJWDPNCIUYOWKC-PKOBYXMFSA-N 1 3 358.530 2.823 20 0 FFADHO c1nc(CN2CCN(CCC3CC[NH2+]CC3)CC2)oc1-c1ccccc1 ZINC000479673450 514682394 /nfs/dbraw/zinc/68/23/94/514682394.db2.gz FTADJGMINMAELW-UHFFFAOYSA-N 1 3 354.498 2.849 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000461788944 514739771 /nfs/dbraw/zinc/73/97/71/514739771.db2.gz YMAVZSXBKRVKEV-YJBOKZPZSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000489250783 514771061 /nfs/dbraw/zinc/77/10/61/514771061.db2.gz IUEOAWGGWVMHQZ-FUHIMQAGSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000489250783 514771067 /nfs/dbraw/zinc/77/10/67/514771067.db2.gz IUEOAWGGWVMHQZ-FUHIMQAGSA-N 1 3 358.530 2.679 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccsc1 ZINC000498151324 514781076 /nfs/dbraw/zinc/78/10/76/514781076.db2.gz OPROMFOGXHPWHQ-JQHSSLGASA-N 1 3 364.559 2.867 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccsc1 ZINC000498151324 514781084 /nfs/dbraw/zinc/78/10/84/514781084.db2.gz OPROMFOGXHPWHQ-JQHSSLGASA-N 1 3 364.559 2.867 20 0 FFADHO C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCN(C2CC2)C1 ZINC000458443742 514802918 /nfs/dbraw/zinc/80/29/18/514802918.db2.gz UHDZUAFLCDSFLZ-SFHVURJKSA-N 1 3 350.551 2.768 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000458451171 514807639 /nfs/dbraw/zinc/80/76/39/514807639.db2.gz VUIIKFLNLCHELU-HFTRVMKXSA-N 1 3 364.559 2.793 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000458451171 514807648 /nfs/dbraw/zinc/80/76/48/514807648.db2.gz VUIIKFLNLCHELU-HFTRVMKXSA-N 1 3 364.559 2.793 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000502862212 514815330 /nfs/dbraw/zinc/81/53/30/514815330.db2.gz NBKZTVILEYTLQS-IAGOWNOFSA-N 1 3 350.551 2.671 20 0 FFADHO CCC[NH+]1CCC(N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000461985006 514816788 /nfs/dbraw/zinc/81/67/88/514816788.db2.gz FQOHRWIJZOICTI-UHFFFAOYSA-N 1 3 372.557 2.532 20 0 FFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000462084750 514872468 /nfs/dbraw/zinc/87/24/68/514872468.db2.gz NOTZWIRZPDYPNW-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000462084750 514872477 /nfs/dbraw/zinc/87/24/77/514872477.db2.gz NOTZWIRZPDYPNW-FQEVSTJZSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC[N@@H+]1C ZINC000489543391 514888739 /nfs/dbraw/zinc/88/87/39/514888739.db2.gz GQOCHMPMMRWPEE-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC[N@H+]1C ZINC000489543391 514888747 /nfs/dbraw/zinc/88/87/47/514888747.db2.gz GQOCHMPMMRWPEE-IEBWSBKVSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000462177390 514925154 /nfs/dbraw/zinc/92/51/54/514925154.db2.gz RMKIWQFJVDUKCV-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000462177390 514925161 /nfs/dbraw/zinc/92/51/61/514925161.db2.gz RMKIWQFJVDUKCV-FXAWDEMLSA-N 1 3 358.530 2.681 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)N2CCCC2)c1 ZINC000503159103 514938160 /nfs/dbraw/zinc/93/81/60/514938160.db2.gz WBQLRGQGOZVRIT-FXAWDEMLSA-N 1 3 374.529 2.568 20 0 FFADHO COc1cccc([C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)N2CCCC2)c1 ZINC000503159103 514938171 /nfs/dbraw/zinc/93/81/71/514938171.db2.gz WBQLRGQGOZVRIT-FXAWDEMLSA-N 1 3 374.529 2.568 20 0 FFADHO C[C@H](NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000508896324 514944021 /nfs/dbraw/zinc/94/40/21/514944021.db2.gz MGOSBZMFEXBXOZ-RAUXBKROSA-N 1 3 358.530 2.946 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000508900442 514945508 /nfs/dbraw/zinc/94/55/08/514945508.db2.gz XOQCHGLAUFPUOM-HBFSDRIKSA-N 1 3 360.546 2.969 20 0 FFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000508900442 514945516 /nfs/dbraw/zinc/94/55/16/514945516.db2.gz XOQCHGLAUFPUOM-HBFSDRIKSA-N 1 3 360.546 2.969 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000458654083 514990240 /nfs/dbraw/zinc/99/02/40/514990240.db2.gz CRAOTDGLVCKTPC-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000458654083 514990249 /nfs/dbraw/zinc/99/02/49/514990249.db2.gz CRAOTDGLVCKTPC-TZIWHRDSSA-N 1 3 372.557 2.928 20 0 FFADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489846422 514996428 /nfs/dbraw/zinc/99/64/28/514996428.db2.gz WWWMHXVMAXKBHZ-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO CC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489846422 514996441 /nfs/dbraw/zinc/99/64/41/514996441.db2.gz WWWMHXVMAXKBHZ-FPOVZHCZSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489893123 515019602 /nfs/dbraw/zinc/01/96/02/515019602.db2.gz YGZDJDMXFPZFPL-PXCRPINLSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489893123 515019609 /nfs/dbraw/zinc/01/96/09/515019609.db2.gz YGZDJDMXFPZFPL-PXCRPINLSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@H](NC(=O)N(C)CCN1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714438 515037876 /nfs/dbraw/zinc/03/78/76/515037876.db2.gz LOEXMOCPNNWDNU-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](NC(=O)N(C)CCN1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714438 515037884 /nfs/dbraw/zinc/03/78/84/515037884.db2.gz LOEXMOCPNNWDNU-ICSRJNTNSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCN(C2CC2)C1 ZINC000476452442 515054513 /nfs/dbraw/zinc/05/45/13/515054513.db2.gz APITVBLHVKXGSK-FQEVSTJZSA-N 1 3 356.514 2.661 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000485631909 515119761 /nfs/dbraw/zinc/11/97/61/515119761.db2.gz WOYRRUOKIJAYHK-HZEGPAAWSA-N 1 3 370.541 2.948 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000485631909 515119770 /nfs/dbraw/zinc/11/97/70/515119770.db2.gz WOYRRUOKIJAYHK-HZEGPAAWSA-N 1 3 370.541 2.948 20 0 FFADHO CC[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1(C(=O)OC)CCC1 ZINC000498939718 515134972 /nfs/dbraw/zinc/13/49/72/515134972.db2.gz OUQYROZRGLWPEH-GOSISDBHSA-N 1 3 365.562 2.648 20 0 FFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000467862403 515149382 /nfs/dbraw/zinc/14/93/82/515149382.db2.gz HGIMQEKZQRYILI-ZFWWWQNUSA-N 1 3 357.420 2.943 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476679868 515155411 /nfs/dbraw/zinc/15/54/11/515155411.db2.gz BJIQZASUHNLJHM-SJORKVTESA-N 1 3 362.543 2.763 20 0 FFADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476679868 515155419 /nfs/dbraw/zinc/15/54/19/515155419.db2.gz BJIQZASUHNLJHM-SJORKVTESA-N 1 3 362.543 2.763 20 0 FFADHO CC(C)[C@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCCCC1 ZINC000481027059 515178868 /nfs/dbraw/zinc/17/88/68/515178868.db2.gz UPJYFSQSRNKJSS-PKOBYXMFSA-N 1 3 370.607 2.624 20 0 FFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000468032165 515203292 /nfs/dbraw/zinc/20/32/92/515203292.db2.gz ZMDKBIUNWJFSMR-UKPHBRMFSA-N 1 3 369.431 2.736 20 0 FFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000468032165 515203301 /nfs/dbraw/zinc/20/33/01/515203301.db2.gz ZMDKBIUNWJFSMR-UKPHBRMFSA-N 1 3 369.431 2.736 20 0 FFADHO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000485835440 515211033 /nfs/dbraw/zinc/21/10/33/515211033.db2.gz RRGCUMZOEHEXBK-AEFFLSMTSA-N 1 3 365.543 2.704 20 0 FFADHO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000485835440 515211043 /nfs/dbraw/zinc/21/10/43/515211043.db2.gz RRGCUMZOEHEXBK-AEFFLSMTSA-N 1 3 365.543 2.704 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000458936819 515213552 /nfs/dbraw/zinc/21/35/52/515213552.db2.gz NOPKUEFQUCEDBZ-GBESFXJTSA-N 1 3 350.551 2.623 20 0 FFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000458936819 515213561 /nfs/dbraw/zinc/21/35/61/515213561.db2.gz NOPKUEFQUCEDBZ-GBESFXJTSA-N 1 3 350.551 2.623 20 0 FFADHO CC1CC[NH+](CCCNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000476844316 515216432 /nfs/dbraw/zinc/21/64/32/515216432.db2.gz OHJAWBFFIROHHU-IBGZPJMESA-N 1 3 364.509 2.850 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462784933 515241390 /nfs/dbraw/zinc/24/13/90/515241390.db2.gz KXSYFPCBEODKHS-KRWDZBQOSA-N 1 3 361.530 2.758 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000463020498 515338077 /nfs/dbraw/zinc/33/80/77/515338077.db2.gz MQDGZANMCOSWNX-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1(C)C ZINC000463030659 515340495 /nfs/dbraw/zinc/34/04/95/515340495.db2.gz UEUMTGHIQDNQLO-WOJBJXKFSA-N 1 3 360.546 2.775 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccccc1Cl ZINC000499510885 515352931 /nfs/dbraw/zinc/35/29/31/515352931.db2.gz XYQJYIYLCFOENZ-MRXNPFEDSA-N 1 3 367.921 2.593 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccccc1Cl ZINC000499510885 515352940 /nfs/dbraw/zinc/35/29/40/515352940.db2.gz XYQJYIYLCFOENZ-MRXNPFEDSA-N 1 3 367.921 2.593 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000463147266 515380546 /nfs/dbraw/zinc/38/05/46/515380546.db2.gz PYCQEZBPTPKUTO-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459285760 515446868 /nfs/dbraw/zinc/44/68/68/515446868.db2.gz FJHNLEFOOGUJTC-TZIWHRDSSA-N 1 3 372.557 2.882 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459285760 515446879 /nfs/dbraw/zinc/44/68/79/515446879.db2.gz FJHNLEFOOGUJTC-TZIWHRDSSA-N 1 3 372.557 2.882 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000486516845 515520294 /nfs/dbraw/zinc/52/02/94/515520294.db2.gz JANKVMPVSOOHDK-UHFFFAOYSA-N 1 3 361.530 2.711 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1=CC[N@H+](C)CC1 ZINC000510548136 515580771 /nfs/dbraw/zinc/58/07/71/515580771.db2.gz PZOXBMMZLXWZIF-RDJZCZTQSA-N 1 3 362.543 2.835 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000510548136 515580779 /nfs/dbraw/zinc/58/07/79/515580779.db2.gz PZOXBMMZLXWZIF-RDJZCZTQSA-N 1 3 362.543 2.835 20 0 FFADHO COC(=O)[C@@](C)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000459514869 515611685 /nfs/dbraw/zinc/61/16/85/515611685.db2.gz MACBYIFELSBXAB-NRFANRHFSA-N 1 3 371.456 2.910 20 0 FFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000473523983 515646443 /nfs/dbraw/zinc/64/64/43/515646443.db2.gz HWIABFHQPDFLPX-KCNJBTMXSA-N 1 3 361.452 2.781 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2ncccc21 ZINC000505738458 515651665 /nfs/dbraw/zinc/65/16/65/515651665.db2.gz SIDGDRRFTTWWQS-QGZVFWFLSA-N 1 3 354.498 2.723 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2ncccc21 ZINC000505738458 515651673 /nfs/dbraw/zinc/65/16/73/515651673.db2.gz SIDGDRRFTTWWQS-QGZVFWFLSA-N 1 3 354.498 2.723 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000493924816 515688146 /nfs/dbraw/zinc/68/81/46/515688146.db2.gz GRIRFFOGGOAUIA-VQIMIIECSA-N 1 3 364.509 2.848 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000493924816 515688156 /nfs/dbraw/zinc/68/81/56/515688156.db2.gz GRIRFFOGGOAUIA-VQIMIIECSA-N 1 3 364.509 2.848 20 0 FFADHO CCN1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)C1 ZINC000482569533 515722972 /nfs/dbraw/zinc/72/29/72/515722972.db2.gz OGOROHLDWSAPCL-FUHIMQAGSA-N 1 3 362.537 2.958 20 0 FFADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000469221208 515726709 /nfs/dbraw/zinc/72/67/09/515726709.db2.gz XKWBIMFGMWHNLU-IBGZPJMESA-N 1 3 372.513 2.922 20 0 FFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000482636061 515745406 /nfs/dbraw/zinc/74/54/06/515745406.db2.gz LOFCEZVALHKBQJ-UYAOXDASSA-N 1 3 360.546 2.723 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C2CC2)CCC1 ZINC000506104757 515781356 /nfs/dbraw/zinc/78/13/56/515781356.db2.gz JCCBOGRPACGCCM-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C2CC2)CCC1 ZINC000506104757 515781363 /nfs/dbraw/zinc/78/13/63/515781363.db2.gz JCCBOGRPACGCCM-SFHVURJKSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C2CC2)CCC1 ZINC000506104755 515782144 /nfs/dbraw/zinc/78/21/44/515782144.db2.gz JCCBOGRPACGCCM-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C2CC2)CCC1 ZINC000506104755 515782151 /nfs/dbraw/zinc/78/21/51/515782151.db2.gz JCCBOGRPACGCCM-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000487248566 515811011 /nfs/dbraw/zinc/81/10/11/515811011.db2.gz PIIKYVGJNRAYIU-GOSISDBHSA-N 1 3 358.530 2.626 20 0 FFADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000487248566 515811020 /nfs/dbraw/zinc/81/10/20/515811020.db2.gz PIIKYVGJNRAYIU-GOSISDBHSA-N 1 3 358.530 2.626 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000469434409 515816570 /nfs/dbraw/zinc/81/65/70/515816570.db2.gz PFMYAVFKCIRKTR-YLJYHZDGSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000469434409 515816577 /nfs/dbraw/zinc/81/65/77/515816577.db2.gz PFMYAVFKCIRKTR-YLJYHZDGSA-N 1 3 360.546 2.925 20 0 FFADHO CN1CCC[C@H]1CC[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482862452 515827450 /nfs/dbraw/zinc/82/74/50/515827450.db2.gz DRLQKFWKNDFWMH-SFHVURJKSA-N 1 3 367.493 2.789 20 0 FFADHO CN1CCC[C@H]1CC[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482862452 515827457 /nfs/dbraw/zinc/82/74/57/515827457.db2.gz DRLQKFWKNDFWMH-SFHVURJKSA-N 1 3 367.493 2.789 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000457379646 515837802 /nfs/dbraw/zinc/83/78/02/515837802.db2.gz UEBUNBZNMZDFER-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000457379646 515837815 /nfs/dbraw/zinc/83/78/15/515837815.db2.gz UEBUNBZNMZDFER-QUCCMNQESA-N 1 3 358.530 2.855 20 0 FFADHO Fc1cncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000494590926 515892130 /nfs/dbraw/zinc/89/21/30/515892130.db2.gz HMNVQMGQQMVEMQ-UHFFFAOYSA-N 1 3 356.489 2.908 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000457487224 515910490 /nfs/dbraw/zinc/91/04/90/515910490.db2.gz ILUOEMVXQSEEEC-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000457487224 515910497 /nfs/dbraw/zinc/91/04/97/515910497.db2.gz ILUOEMVXQSEEEC-DLBZAZTESA-N 1 3 364.559 2.916 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC000469729489 515940499 /nfs/dbraw/zinc/94/04/99/515940499.db2.gz QQZOIQIKKCJQCW-WIYYLYMNSA-N 1 3 372.557 2.631 20 0 FFADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC000469729489 515940504 /nfs/dbraw/zinc/94/05/04/515940504.db2.gz QQZOIQIKKCJQCW-WIYYLYMNSA-N 1 3 372.557 2.631 20 0 FFADHO C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501024929 515941138 /nfs/dbraw/zinc/94/11/38/515941138.db2.gz OWYOLENVMXMBDF-YLJYHZDGSA-N 1 3 358.530 2.925 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)[C@H](C)C1 ZINC000469790466 515967383 /nfs/dbraw/zinc/96/73/83/515967383.db2.gz KACHOZPOXDAFEJ-CEXWTWQISA-N 1 3 367.578 2.750 20 0 FFADHO CN(C)CCOc1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000474309503 515985015 /nfs/dbraw/zinc/98/50/15/515985015.db2.gz KBCIJSCHIDMYDI-UHFFFAOYSA-N 1 3 353.466 2.568 20 0 FFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000460140741 516043191 /nfs/dbraw/zinc/04/31/91/516043191.db2.gz UVVYYMKNMXJLJK-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000460140741 516043201 /nfs/dbraw/zinc/04/32/01/516043201.db2.gz UVVYYMKNMXJLJK-KRWDZBQOSA-N 1 3 370.607 2.768 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCN(C2CC2)C1 ZINC000457697049 516077686 /nfs/dbraw/zinc/07/76/86/516077686.db2.gz QFOBBMHNVVKPDY-QFBILLFUSA-N 1 3 350.551 2.623 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000457700970 516078703 /nfs/dbraw/zinc/07/87/03/516078703.db2.gz UOQOBIUTYAADJW-SFTDATJTSA-N 1 3 372.557 2.947 20 0 FFADHO CC[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000457700970 516078712 /nfs/dbraw/zinc/07/87/12/516078712.db2.gz UOQOBIUTYAADJW-SFTDATJTSA-N 1 3 372.557 2.947 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@H](C)CN(C)Cc1ccccc1)[NH+]1CCCC1 ZINC000460245161 516085038 /nfs/dbraw/zinc/08/50/38/516085038.db2.gz FGQWXCARJXCCAD-UYAOXDASSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C1CC1 ZINC000460256763 516088298 /nfs/dbraw/zinc/08/82/98/516088298.db2.gz ILRRJJDCPHEQAT-MISYRCLQSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C1CC1 ZINC000460256763 516088306 /nfs/dbraw/zinc/08/83/06/516088306.db2.gz ILRRJJDCPHEQAT-MISYRCLQSA-N 1 3 370.541 2.633 20 0 FFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000457716482 516092562 /nfs/dbraw/zinc/09/25/62/516092562.db2.gz SUEDKRFKUKCLBC-FQEVSTJZSA-N 1 3 358.530 2.559 20 0 FFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000457716482 516092575 /nfs/dbraw/zinc/09/25/75/516092575.db2.gz SUEDKRFKUKCLBC-FQEVSTJZSA-N 1 3 358.530 2.559 20 0 FFADHO CCc1ccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)N(C)C)cc1 ZINC000479185751 516094967 /nfs/dbraw/zinc/09/49/67/516094967.db2.gz INVTXMCXTOWZMA-UXHICEINSA-N 1 3 357.473 2.850 20 0 FFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000457728458 516102963 /nfs/dbraw/zinc/10/29/63/516102963.db2.gz GOKZQAPZLRUJBV-GUDVDZBRSA-N 1 3 352.567 2.869 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000501533419 516141796 /nfs/dbraw/zinc/14/17/96/516141796.db2.gz QPFLVHKXMWSMIW-FCGDIQPGSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCC[C@H]1C ZINC000501533419 516141804 /nfs/dbraw/zinc/14/18/04/516141804.db2.gz QPFLVHKXMWSMIW-FCGDIQPGSA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501530692 516143584 /nfs/dbraw/zinc/14/35/84/516143584.db2.gz CJSYDMMPBZHRJK-SJORKVTESA-N 1 3 362.518 2.869 20 0 FFADHO C[C@@H](CNC(=O)Nc1cccc(OCCN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000501530692 516143590 /nfs/dbraw/zinc/14/35/90/516143590.db2.gz CJSYDMMPBZHRJK-SJORKVTESA-N 1 3 362.518 2.869 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000457789885 516146453 /nfs/dbraw/zinc/14/64/53/516146453.db2.gz QANSZXGZDWIWTG-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000457789885 516146461 /nfs/dbraw/zinc/14/64/61/516146461.db2.gz QANSZXGZDWIWTG-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501547117 516148122 /nfs/dbraw/zinc/14/81/22/516148122.db2.gz RSAWDRWZVALXFG-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501547117 516148135 /nfs/dbraw/zinc/14/81/35/516148135.db2.gz RSAWDRWZVALXFG-HBFSDRIKSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000479355092 516162666 /nfs/dbraw/zinc/16/26/66/516162666.db2.gz VZOOWCOFYAHTMR-GPMSIDNRSA-N 1 3 364.509 2.848 20 0 FFADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000479355092 516162677 /nfs/dbraw/zinc/16/26/77/516162677.db2.gz VZOOWCOFYAHTMR-GPMSIDNRSA-N 1 3 364.509 2.848 20 0 FFADHO O[C@@H](C[NH2+][C@@H]1CCCc2cc(Br)ccc21)CN1CCCC1 ZINC000479361935 516164173 /nfs/dbraw/zinc/16/41/73/516164173.db2.gz QSILSHCURJSMCX-DOTOQJQBSA-N 1 3 353.304 2.873 20 0 FFADHO COCCSCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000488242139 516172497 /nfs/dbraw/zinc/17/24/97/516172497.db2.gz GNBHOHQAZITWQI-QZTJIDSGSA-N 1 3 358.592 2.967 20 0 FFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000507412413 516205275 /nfs/dbraw/zinc/20/52/75/516205275.db2.gz FFGCPHYOUGYYEL-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000507412413 516205285 /nfs/dbraw/zinc/20/52/85/516205285.db2.gz FFGCPHYOUGYYEL-VQTJNVASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000501721947 516206029 /nfs/dbraw/zinc/20/60/29/516206029.db2.gz XIIVXAWBQVQPCQ-QZTJIDSGSA-N 1 3 360.546 2.915 20 0 FFADHO C[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN(C2CCC2)C1 ZINC000488368964 516206478 /nfs/dbraw/zinc/20/64/78/516206478.db2.gz QCEQFXITEJNTGF-MRXNPFEDSA-N 1 3 350.551 2.765 20 0 FFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C ZINC000483790210 516212186 /nfs/dbraw/zinc/21/21/86/516212186.db2.gz HZMZRFJXNRVLTN-YLJYHZDGSA-N 1 3 372.557 2.600 20 0 FFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C ZINC000483790210 516212194 /nfs/dbraw/zinc/21/21/94/516212194.db2.gz HZMZRFJXNRVLTN-YLJYHZDGSA-N 1 3 372.557 2.600 20 0 FFADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507473593 516219465 /nfs/dbraw/zinc/21/94/65/516219465.db2.gz VMQJNBYGFPOPIX-PSWRPDDJSA-N 1 3 357.542 2.597 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000465681273 516226238 /nfs/dbraw/zinc/22/62/38/516226238.db2.gz AOHVIWQXOJAVNZ-APWZRJJASA-N 1 3 358.530 2.605 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000465681273 516226247 /nfs/dbraw/zinc/22/62/47/516226247.db2.gz AOHVIWQXOJAVNZ-APWZRJJASA-N 1 3 358.530 2.605 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)cc1C ZINC000465723315 516238440 /nfs/dbraw/zinc/23/84/40/516238440.db2.gz NCWKCPHJCCBQEA-NRFANRHFSA-N 1 3 374.573 2.903 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)cc1C ZINC000465723315 516238445 /nfs/dbraw/zinc/23/84/45/516238445.db2.gz NCWKCPHJCCBQEA-NRFANRHFSA-N 1 3 374.573 2.903 20 0 FFADHO CCC1(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CCOCC1 ZINC000512390219 516259894 /nfs/dbraw/zinc/25/98/94/516259894.db2.gz AUJAROKJIHSHQY-UHFFFAOYSA-N 1 3 373.541 2.809 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000501937338 516269188 /nfs/dbraw/zinc/26/91/88/516269188.db2.gz HOWFATIMGCEMHN-UYAOXDASSA-N 1 3 356.514 2.601 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000501937338 516269196 /nfs/dbraw/zinc/26/91/96/516269196.db2.gz HOWFATIMGCEMHN-UYAOXDASSA-N 1 3 356.514 2.601 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)N(C)Cc1ccccc1 ZINC000496631729 516272927 /nfs/dbraw/zinc/27/29/27/516272927.db2.gz MAIHOBIQLIZASU-WSTZPKSXSA-N 1 3 358.530 2.775 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000496645428 516273849 /nfs/dbraw/zinc/27/38/49/516273849.db2.gz BAMPVZFBDZVOPJ-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000496645428 516273855 /nfs/dbraw/zinc/27/38/55/516273855.db2.gz BAMPVZFBDZVOPJ-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000512441198 516280665 /nfs/dbraw/zinc/28/06/65/516280665.db2.gz MCLPZTXVKOIZAO-AWEZNQCLSA-N 1 3 374.451 2.729 20 0 FFADHO C[C@@]1(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCC[NH2+]C1 ZINC000497331107 516309087 /nfs/dbraw/zinc/30/90/87/516309087.db2.gz HMQNSMHXYCCQAX-YADHBBJMSA-N 1 3 355.526 2.891 20 0 FFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000543683521 516364353 /nfs/dbraw/zinc/36/43/53/516364353.db2.gz DJHIBBXFYLUTRK-KRWDZBQOSA-N 1 3 373.545 2.670 20 0 FFADHO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)N(C)Cc1ccccc1 ZINC000517701950 516415534 /nfs/dbraw/zinc/41/55/34/516415534.db2.gz BRZDCHOWZQKQEV-QUCCMNQESA-N 1 3 358.530 2.777 20 0 FFADHO [NH3+]CCCn1ccc2cc(C(=O)NC[C@@H]3NCCc4ccccc43)ccc21 ZINC000561194634 516441555 /nfs/dbraw/zinc/44/15/55/516441555.db2.gz ZNMWDYKKTNZDKC-FQEVSTJZSA-N 1 3 362.477 2.607 20 0 FFADHO CC1CC[NH+](CCCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523338295 516442541 /nfs/dbraw/zinc/44/25/41/516442541.db2.gz VLAOMMDLKXXFSS-FQEVSTJZSA-N 1 3 358.530 2.532 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000540176437 516461667 /nfs/dbraw/zinc/46/16/67/516461667.db2.gz QKVMYMUTZTWLNK-WXLSXGNJSA-N 1 3 352.441 2.701 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523474643 516479310 /nfs/dbraw/zinc/47/93/10/516479310.db2.gz JJVIUZBADQMWRZ-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000523474643 516479317 /nfs/dbraw/zinc/47/93/17/516479317.db2.gz JJVIUZBADQMWRZ-MSOLQXFVSA-N 1 3 350.551 2.767 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)cnc3OC)CC2)CC1 ZINC000561270823 516493792 /nfs/dbraw/zinc/49/37/92/516493792.db2.gz VURVRFZFJLETEG-UHFFFAOYSA-N 1 3 360.502 2.533 20 0 FFADHO CC(C)[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540263200 516495587 /nfs/dbraw/zinc/49/55/87/516495587.db2.gz ODGBYWVMHHDEEJ-IBGZPJMESA-N 1 3 360.502 2.848 20 0 FFADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000547706793 516511033 /nfs/dbraw/zinc/51/10/33/516511033.db2.gz ZMPPNZHLEAOXLR-QZTJIDSGSA-N 1 3 360.527 2.996 20 0 FFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3nccn3C)cc2)C[C@H]1C ZINC000540323951 516512341 /nfs/dbraw/zinc/51/23/41/516512341.db2.gz PGLZTYDKLYTMAE-HDICACEKSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3nccn3C)cc2)C[C@H]1C ZINC000540323951 516512348 /nfs/dbraw/zinc/51/23/48/516512348.db2.gz PGLZTYDKLYTMAE-HDICACEKSA-N 1 3 356.514 2.719 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N(C)Cc1ccccc1 ZINC000535936990 516562750 /nfs/dbraw/zinc/56/27/50/516562750.db2.gz NTJAKRPGPILGCV-GHTZIAJQSA-N 1 3 372.557 2.880 20 0 FFADHO CCN(CC[NH+]1CCCCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000558036826 516566507 /nfs/dbraw/zinc/56/65/07/516566507.db2.gz QIGFXTYELWEWGS-UHFFFAOYSA-N 1 3 365.562 2.746 20 0 FFADHO [NH3+][C@H](CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)Cc1ccccc1 ZINC000518192856 516572862 /nfs/dbraw/zinc/57/28/62/516572862.db2.gz AJTITJUOXZPNOH-IBGZPJMESA-N 1 3 367.493 2.542 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000518435735 516658869 /nfs/dbraw/zinc/65/88/69/516658869.db2.gz VGCJYMXQNQYZSM-HXUWFJFHSA-N 1 3 359.514 2.652 20 0 FFADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000531959602 516730580 /nfs/dbraw/zinc/73/05/80/516730580.db2.gz PAWZCXOOAFHUML-DZGCQCFKSA-N 1 3 352.548 2.813 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3c3cccnc3)CC2)CC1 ZINC000518792519 516778169 /nfs/dbraw/zinc/77/81/69/516778169.db2.gz KOIYEYBYTYODCL-NRFANRHFSA-N 1 3 370.541 2.941 20 0 FFADHO C[C@H](CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000518921331 516820589 /nfs/dbraw/zinc/82/05/89/516820589.db2.gz SLSKGKSHXGJGDS-MSOLQXFVSA-N 1 3 357.542 2.929 20 0 FFADHO C[C@H](CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000518921331 516820598 /nfs/dbraw/zinc/82/05/98/516820598.db2.gz SLSKGKSHXGJGDS-MSOLQXFVSA-N 1 3 357.542 2.929 20 0 FFADHO CC(C)Oc1cccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000524905522 516865439 /nfs/dbraw/zinc/86/54/39/516865439.db2.gz RDFVYDOBPYJHOK-KRWDZBQOSA-N 1 3 364.534 2.670 20 0 FFADHO C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000514126438 516875055 /nfs/dbraw/zinc/87/50/55/516875055.db2.gz IAPCJYSSJJMSPG-LJQANCHMSA-N 1 3 352.567 2.918 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514232582 516916892 /nfs/dbraw/zinc/91/68/92/516916892.db2.gz NIDCGLSHCDQXHJ-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514232582 516916897 /nfs/dbraw/zinc/91/68/97/516916897.db2.gz NIDCGLSHCDQXHJ-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO CC[C@H](CC(F)(F)F)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000544872173 516969406 /nfs/dbraw/zinc/96/94/06/516969406.db2.gz MSZFJJKLQPRKTG-CABCVRRESA-N 1 3 366.472 2.775 20 0 FFADHO CC[C@H](CC(F)(F)F)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000544872173 516969414 /nfs/dbraw/zinc/96/94/14/516969414.db2.gz MSZFJJKLQPRKTG-CABCVRRESA-N 1 3 366.472 2.775 20 0 FFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000519360803 516971730 /nfs/dbraw/zinc/97/17/30/516971730.db2.gz YMNDCGLYMHYNFT-QZTJIDSGSA-N 1 3 358.530 2.901 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000536947162 516989404 /nfs/dbraw/zinc/98/94/04/516989404.db2.gz LWERQBXJPHHVFE-CVEARBPZSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000536947162 516989415 /nfs/dbraw/zinc/98/94/15/516989415.db2.gz LWERQBXJPHHVFE-CVEARBPZSA-N 1 3 353.532 2.639 20 0 FFADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1(C)C ZINC000514671352 516995161 /nfs/dbraw/zinc/99/51/61/516995161.db2.gz GDBQLYRVKWSFBW-NQIIRXRSSA-N 1 3 365.562 2.634 20 0 FFADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558908697 516998885 /nfs/dbraw/zinc/99/88/85/516998885.db2.gz UBVJBMWOSQEDQX-FSPWUOQZSA-N 1 3 364.921 2.725 20 0 FFADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558908697 516998895 /nfs/dbraw/zinc/99/88/95/516998895.db2.gz UBVJBMWOSQEDQX-FSPWUOQZSA-N 1 3 364.921 2.725 20 0 FFADHO CC(C)Oc1ccccc1[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525420422 517037822 /nfs/dbraw/zinc/03/78/22/517037822.db2.gz XWAWWCWYZVKWRI-QGZVFWFLSA-N 1 3 364.534 2.670 20 0 FFADHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529289637 517054969 /nfs/dbraw/zinc/05/49/69/517054969.db2.gz KYHYULWFIBDZIE-LJQANCHMSA-N 1 3 356.514 2.756 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1Cc1ccccc1 ZINC000529363280 517103084 /nfs/dbraw/zinc/10/30/84/517103084.db2.gz URYJBSBMHMSRJV-HOJAQTOUSA-N 1 3 370.541 2.966 20 0 FFADHO C[NH2+]CCC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000514938339 517134146 /nfs/dbraw/zinc/13/41/46/517134146.db2.gz GIHUFPGYRQPTSA-IBGZPJMESA-N 1 3 365.468 2.777 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)CC1 ZINC000545332119 517179373 /nfs/dbraw/zinc/17/93/73/517179373.db2.gz NJQLUEGYBSKRRL-SFHVURJKSA-N 1 3 373.545 2.824 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)CC1 ZINC000545332119 517179380 /nfs/dbraw/zinc/17/93/80/517179380.db2.gz NJQLUEGYBSKRRL-SFHVURJKSA-N 1 3 373.545 2.824 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1ccccc1 ZINC000545340345 517185473 /nfs/dbraw/zinc/18/54/73/517185473.db2.gz IVMUNOPVIUPJBG-AZUAARDMSA-N 1 3 360.546 2.848 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1ccccc1 ZINC000545340345 517185483 /nfs/dbraw/zinc/18/54/83/517185483.db2.gz IVMUNOPVIUPJBG-AZUAARDMSA-N 1 3 360.546 2.848 20 0 FFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000515100789 517211797 /nfs/dbraw/zinc/21/17/97/517211797.db2.gz KHCYAZMSGJVNHY-GGPKGHCWSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000515100789 517211806 /nfs/dbraw/zinc/21/18/06/517211806.db2.gz KHCYAZMSGJVNHY-GGPKGHCWSA-N 1 3 360.546 2.925 20 0 FFADHO COc1ccc(CN2CC[C@H]2C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000529644866 517262733 /nfs/dbraw/zinc/26/27/33/517262733.db2.gz QFRVTHCQMIWXFM-NRFANRHFSA-N 1 3 366.509 2.923 20 0 FFADHO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000515234308 517266485 /nfs/dbraw/zinc/26/64/85/517266485.db2.gz FQNCOFGAWDSDAA-HSZRJFAPSA-N 1 3 368.521 2.727 20 0 FFADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000556112405 517271947 /nfs/dbraw/zinc/27/19/47/517271947.db2.gz DTXVTARBKPNUPP-WAOWUJCRSA-N 1 3 357.498 2.753 20 0 FFADHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1c1ccccc1 ZINC000556118268 517274234 /nfs/dbraw/zinc/27/42/34/517274234.db2.gz AMNNARMVQXNRTC-DXBBTUNJSA-N 1 3 357.542 2.789 20 0 FFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000515342310 517306253 /nfs/dbraw/zinc/30/62/53/517306253.db2.gz VHBHRSSDJLIYFB-RTBURBONSA-N 1 3 358.530 2.810 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000515344465 517307751 /nfs/dbraw/zinc/30/77/51/517307751.db2.gz JEBJEAVVYBRAAA-YJMBLLCNSA-N 1 3 360.542 2.879 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NC[C@]2(CO)C[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000515344465 517307762 /nfs/dbraw/zinc/30/77/62/517307762.db2.gz JEBJEAVVYBRAAA-YJMBLLCNSA-N 1 3 360.542 2.879 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000533163079 517319942 /nfs/dbraw/zinc/31/99/42/517319942.db2.gz WTUUBFWSHIBZNZ-LPHOPBHVSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000533163079 517319950 /nfs/dbraw/zinc/31/99/50/517319950.db2.gz WTUUBFWSHIBZNZ-LPHOPBHVSA-N 1 3 358.530 2.679 20 0 FFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000548972251 517334640 /nfs/dbraw/zinc/33/46/40/517334640.db2.gz LLMRQRKDXNGUDX-MAUKXSAKSA-N 1 3 366.937 2.974 20 0 FFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000548972251 517334653 /nfs/dbraw/zinc/33/46/53/517334653.db2.gz LLMRQRKDXNGUDX-MAUKXSAKSA-N 1 3 366.937 2.974 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467293 517365510 /nfs/dbraw/zinc/36/55/10/517365510.db2.gz XASSEWAEWFKUCD-PKOBYXMFSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467293 517365515 /nfs/dbraw/zinc/36/55/15/517365515.db2.gz XASSEWAEWFKUCD-PKOBYXMFSA-N 1 3 354.922 2.928 20 0 FFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000515467293 517365521 /nfs/dbraw/zinc/36/55/21/517365521.db2.gz XASSEWAEWFKUCD-PKOBYXMFSA-N 1 3 354.922 2.928 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000545867096 517403380 /nfs/dbraw/zinc/40/33/80/517403380.db2.gz NYTHZBAZMJOVOC-AZUAARDMSA-N 1 3 356.514 2.773 20 0 FFADHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000545867096 517403391 /nfs/dbraw/zinc/40/33/91/517403391.db2.gz NYTHZBAZMJOVOC-AZUAARDMSA-N 1 3 356.514 2.773 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000520543122 517427308 /nfs/dbraw/zinc/42/73/08/517427308.db2.gz AIPBJDQNGBAZPY-OAHLLOKOSA-N 1 3 362.493 2.961 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000520543122 517427322 /nfs/dbraw/zinc/42/73/22/517427322.db2.gz AIPBJDQNGBAZPY-OAHLLOKOSA-N 1 3 362.493 2.961 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000515621050 517427725 /nfs/dbraw/zinc/42/77/25/517427725.db2.gz VYRZJOYBARPGNL-VAMGGRTRSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000515621050 517427735 /nfs/dbraw/zinc/42/77/35/517427735.db2.gz VYRZJOYBARPGNL-VAMGGRTRSA-N 1 3 358.530 2.936 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCCC[NH2+]C(C)C ZINC000562815993 517428930 /nfs/dbraw/zinc/42/89/30/517428930.db2.gz KRXVESZFFMHHGH-FQEVSTJZSA-N 1 3 360.546 2.928 20 0 FFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCN1C ZINC000559891071 517475361 /nfs/dbraw/zinc/47/53/61/517475361.db2.gz MZAWUCSVKJGCGC-CEMLEFRQSA-N 1 3 371.569 2.988 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000515828887 517487364 /nfs/dbraw/zinc/48/73/64/517487364.db2.gz DYDWABHLORHKLW-NRFANRHFSA-N 1 3 374.573 2.971 20 0 FFADHO C[C@H](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542379249 517531056 /nfs/dbraw/zinc/53/10/56/517531056.db2.gz VWLKVRNIQQYNJY-UYAOXDASSA-N 1 3 358.530 2.825 20 0 FFADHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560147952 517606098 /nfs/dbraw/zinc/60/60/98/517606098.db2.gz QGGJSOIGJYKAEH-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560147952 517606109 /nfs/dbraw/zinc/60/61/09/517606109.db2.gz QGGJSOIGJYKAEH-RRFJBIMHSA-N 1 3 363.468 2.838 20 0 FFADHO CC(C)NC(=O)NCCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000563053434 517617910 /nfs/dbraw/zinc/61/79/10/517617910.db2.gz ZDGVTCVXYTWESO-UHFFFAOYSA-N 1 3 358.530 2.682 20 0 FFADHO CCCOc1ccc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239800 517646800 /nfs/dbraw/zinc/64/68/00/517646800.db2.gz VFSWCYZOLRHNPF-OAQYLSRUSA-N 1 3 362.514 2.945 20 0 FFADHO c1ccc(-c2noc(CCCN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000530241466 517649991 /nfs/dbraw/zinc/64/99/91/517649991.db2.gz QDYHXWYLTHKKSC-LJQANCHMSA-N 1 3 370.497 2.760 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000527464805 517692731 /nfs/dbraw/zinc/69/27/31/517692731.db2.gz PWOSUPFQMJAJPQ-PKOBYXMFSA-N 1 3 364.509 2.597 20 0 FFADHO C[NH+](C)CC1(CNC[C@H](O)COCc2ccccc2Cl)CCCC1 ZINC000516456790 517697886 /nfs/dbraw/zinc/69/78/86/517697886.db2.gz PJNLLNZWTNLAEA-KRWDZBQOSA-N 1 3 354.922 2.929 20 0 FFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000563160577 517702762 /nfs/dbraw/zinc/70/27/62/517702762.db2.gz NWJOQENGLREIAQ-LAUBAEHRSA-N 1 3 373.541 2.974 20 0 FFADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C[NH+]1CCCC1 ZINC000516579304 517752591 /nfs/dbraw/zinc/75/25/91/517752591.db2.gz NUURVDOUNVGNAW-WSTZPKSXSA-N 1 3 358.530 2.853 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2CC(=O)OC)CC1 ZINC000538737906 517756401 /nfs/dbraw/zinc/75/64/01/517756401.db2.gz JTNRGBKYSGBEJV-IBGZPJMESA-N 1 3 359.514 2.746 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2CC(=O)OC)CC1 ZINC000538737906 517756412 /nfs/dbraw/zinc/75/64/12/517756412.db2.gz JTNRGBKYSGBEJV-IBGZPJMESA-N 1 3 359.514 2.746 20 0 FFADHO Cc1ccccc1Oc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000516627694 517778117 /nfs/dbraw/zinc/77/81/17/517778117.db2.gz VLHGGELZPMEXFT-UHFFFAOYSA-N 1 3 370.497 2.748 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000546661034 517784551 /nfs/dbraw/zinc/78/45/51/517784551.db2.gz GVYDYSAHZJKCGD-UHFFFAOYSA-N 1 3 359.436 2.590 20 0 FFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1c(F)cccc1F ZINC000521609694 517795373 /nfs/dbraw/zinc/79/53/73/517795373.db2.gz CWEQPJWKBLTEIS-IAOVAPTHSA-N 1 3 351.441 2.595 20 0 FFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000521697345 517832321 /nfs/dbraw/zinc/83/23/21/517832321.db2.gz GVLQRMQGEBTYDQ-OALUTQOASA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000521697345 517832327 /nfs/dbraw/zinc/83/23/27/517832327.db2.gz GVLQRMQGEBTYDQ-OALUTQOASA-N 1 3 350.551 2.768 20 0 FFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527720943 517870735 /nfs/dbraw/zinc/87/07/35/517870735.db2.gz KWJFHVVTOLBMJA-JHVJFLLYSA-N 1 3 355.526 2.908 20 0 FFADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000521914073 517897517 /nfs/dbraw/zinc/89/75/17/517897517.db2.gz IXWYVSMSAHMKCN-FXAWDEMLSA-N 1 3 358.530 2.853 20 0 FFADHO [NH3+][C@H]1C[C@@H]2CN(c3ccnc4ccc(Oc5ccccc5)cc43)CCN2C1=O ZINC000522014147 517949697 /nfs/dbraw/zinc/94/96/97/517949697.db2.gz PFGQRTVSHHXUCE-BEFAXECRSA-N 1 3 374.444 2.775 20 0 FFADHO CCOC1(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000516978920 517958312 /nfs/dbraw/zinc/95/83/12/517958312.db2.gz IZBYHQNXGOVPIX-UHFFFAOYSA-N 1 3 365.562 2.648 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000563561381 517986001 /nfs/dbraw/zinc/98/60/01/517986001.db2.gz HSORTRRHNHGAPF-VAMGGRTRSA-N 1 3 358.530 2.858 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000563585538 518001460 /nfs/dbraw/zinc/00/14/60/518001460.db2.gz CQBAEWGIWBEVMY-JSNMRZPZSA-N 1 3 352.482 2.622 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522180624 518018982 /nfs/dbraw/zinc/01/89/82/518018982.db2.gz DSVCUPVPJJSSSU-NRFANRHFSA-N 1 3 372.557 2.872 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522180624 518018991 /nfs/dbraw/zinc/01/89/91/518018991.db2.gz DSVCUPVPJJSSSU-NRFANRHFSA-N 1 3 372.557 2.872 20 0 FFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000522289554 518066211 /nfs/dbraw/zinc/06/62/11/518066211.db2.gz NQYWTHVZPQGRLW-PXNSSMCTSA-N 1 3 370.541 2.954 20 0 FFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000522289554 518066217 /nfs/dbraw/zinc/06/62/17/518066217.db2.gz NQYWTHVZPQGRLW-PXNSSMCTSA-N 1 3 370.541 2.954 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@H](C)C1 ZINC000560912657 518084357 /nfs/dbraw/zinc/08/43/57/518084357.db2.gz VRLKKFJGVGAQTL-QUCCMNQESA-N 1 3 370.541 3.373 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCNc2ccc3ccccc3n2)[C@H](C)C1 ZINC000560912657 518084364 /nfs/dbraw/zinc/08/43/64/518084364.db2.gz VRLKKFJGVGAQTL-QUCCMNQESA-N 1 3 370.541 3.373 20 0 FFADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000528149745 518120011 /nfs/dbraw/zinc/12/00/11/518120011.db2.gz NQBFJZAKSQJHDK-IBGZPJMESA-N 1 3 350.551 2.957 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000517376654 518133425 /nfs/dbraw/zinc/13/34/25/518133425.db2.gz FFXXRKJWRPJRSB-TYCQWZJGSA-N 1 3 369.484 2.895 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000517376654 518133428 /nfs/dbraw/zinc/13/34/28/518133428.db2.gz FFXXRKJWRPJRSB-TYCQWZJGSA-N 1 3 369.484 2.895 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000517389880 518135204 /nfs/dbraw/zinc/13/52/04/518135204.db2.gz UYZLFZYVHVTSTL-NHCUHLMSSA-N 1 3 370.541 2.921 20 0 FFADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000522623777 518136711 /nfs/dbraw/zinc/13/67/11/518136711.db2.gz JDSDOTYXRXZZLN-QGZVFWFLSA-N 1 3 370.582 2.541 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000531161070 518157785 /nfs/dbraw/zinc/15/77/85/518157785.db2.gz WFNLCQCPYGUWRZ-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000531161070 518157787 /nfs/dbraw/zinc/15/77/87/518157787.db2.gz WFNLCQCPYGUWRZ-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO NC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000566845170 518229208 /nfs/dbraw/zinc/22/92/08/518229208.db2.gz WGSPSOQWILQQDA-MGPUTAFESA-N 1 3 352.482 2.623 20 0 FFADHO NC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000566845170 518229215 /nfs/dbraw/zinc/22/92/15/518229215.db2.gz WGSPSOQWILQQDA-MGPUTAFESA-N 1 3 352.482 2.623 20 0 FFADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccn(CCN(C)C)n1 ZINC000584240418 518242450 /nfs/dbraw/zinc/24/24/50/518242450.db2.gz HCFKMKFNDZIZRX-UHFFFAOYSA-N 1 3 355.486 2.601 20 0 FFADHO [NH3+]CCC1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000581374962 518254448 /nfs/dbraw/zinc/25/44/48/518254448.db2.gz JJARFIXNYLFZJO-UHFFFAOYSA-N 1 3 358.530 2.943 20 0 FFADHO [NH3+]C[C@@H]1CN(CCOc2ccc(Br)cc2)CC12CCOCC2 ZINC000575869283 518319760 /nfs/dbraw/zinc/31/97/60/518319760.db2.gz FEVXWLSVWHMJKL-CQSZACIVSA-N 1 3 369.303 2.515 20 0 FFADHO CSc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000572751233 518344686 /nfs/dbraw/zinc/34/46/86/518344686.db2.gz AIYZKDIQALFUCS-KRWDZBQOSA-N 1 3 352.544 2.858 20 0 FFADHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000575949309 518356418 /nfs/dbraw/zinc/35/64/18/518356418.db2.gz LPZJVTJPTVRRJN-WOJBJXKFSA-N 1 3 373.589 2.986 20 0 FFADHO CN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H]2CCC[C@H]21 ZINC000569949034 518372094 /nfs/dbraw/zinc/37/20/94/518372094.db2.gz IODGVOPCDKUPKC-CLAROIROSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000572839239 518385532 /nfs/dbraw/zinc/38/55/32/518385532.db2.gz CEYONINTCBGQLO-SYKANANRSA-N 1 3 356.514 2.644 20 0 FFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000567171094 518388244 /nfs/dbraw/zinc/38/82/44/518388244.db2.gz VPELMMVSMCPDQK-IFMALSPDSA-N 1 3 372.557 2.928 20 0 FFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000567171094 518388250 /nfs/dbraw/zinc/38/82/50/518388250.db2.gz VPELMMVSMCPDQK-IFMALSPDSA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000581661265 518395206 /nfs/dbraw/zinc/39/52/06/518395206.db2.gz IHPSASSFMIEFTK-FUHWJXTLSA-N 1 3 359.514 2.897 20 0 FFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)c2)CC1 ZINC000572875600 518404158 /nfs/dbraw/zinc/40/41/58/518404158.db2.gz PRXIGOLUXIYGMI-PGRDOPGGSA-N 1 3 370.541 2.935 20 0 FFADHO CCC[N@H+](C[C@H](O)CN(C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564385370 518426150 /nfs/dbraw/zinc/42/61/50/518426150.db2.gz PUEPGPWNFSTQQF-FGZHOGPDSA-N 1 3 359.558 2.818 20 0 FFADHO CCC[N@@H+](C[C@H](O)CN(C)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000564385370 518426154 /nfs/dbraw/zinc/42/61/54/518426154.db2.gz PUEPGPWNFSTQQF-FGZHOGPDSA-N 1 3 359.558 2.818 20 0 FFADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CNCc2ccccc21 ZINC000567266954 518439478 /nfs/dbraw/zinc/43/94/78/518439478.db2.gz OPHJGSBWQHCPBY-QGZVFWFLSA-N 1 3 371.447 2.996 20 0 FFADHO CN(C)[C@@H](CNC(=O)c1conc1C(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000567289096 518449036 /nfs/dbraw/zinc/44/90/36/518449036.db2.gz FTZZYMOSSRVJKB-AWEZNQCLSA-N 1 3 350.850 2.555 20 0 FFADHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000581826656 518456826 /nfs/dbraw/zinc/45/68/26/518456826.db2.gz LFJLXGCLYGSKJF-QGZVFWFLSA-N 1 3 366.509 2.880 20 0 FFADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC1(C[NH3+])CC1 ZINC000570159367 518469508 /nfs/dbraw/zinc/46/95/08/518469508.db2.gz CJKHJRGPYQKMJC-SFHVURJKSA-N 1 3 367.497 2.706 20 0 FFADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000576194010 518472740 /nfs/dbraw/zinc/47/27/40/518472740.db2.gz OUFSRGPZHQKXAF-FQEVSTJZSA-N 1 3 361.505 2.725 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)Oc4ccccc43)CC2)CC1 ZINC000570173678 518479854 /nfs/dbraw/zinc/47/98/54/518479854.db2.gz KNHMLGQNCKUQRU-KRWDZBQOSA-N 1 3 371.525 2.997 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3c4ccccc4O[C@H]3C)CC2)CC1 ZINC000581953654 518519258 /nfs/dbraw/zinc/51/92/58/518519258.db2.gz VKFPKOKIXYUQCY-KKSFZXQISA-N 1 3 371.525 2.821 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000573148199 518527511 /nfs/dbraw/zinc/52/75/11/518527511.db2.gz AKFZSEAPXMYEPL-GBESFXJTSA-N 1 3 365.562 2.599 20 0 FFADHO C[C@@H]1CN(CC2CCN(C(=O)CC[N@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000573148199 518527517 /nfs/dbraw/zinc/52/75/17/518527517.db2.gz AKFZSEAPXMYEPL-GBESFXJTSA-N 1 3 365.562 2.599 20 0 FFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCC1=CC[NH2+]CC1 ZINC000567454600 518532149 /nfs/dbraw/zinc/53/21/49/518532149.db2.gz MFGNPFAKFLICQP-HXUWFJFHSA-N 1 3 370.541 2.678 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000573289183 518593610 /nfs/dbraw/zinc/59/36/10/518593610.db2.gz SYZBJQJAWZDMBU-UHFFFAOYSA-N 1 3 357.546 2.804 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1CN(C)CCC[N@H+](C)CCN(C)C ZINC000573289183 518593615 /nfs/dbraw/zinc/59/36/15/518593615.db2.gz SYZBJQJAWZDMBU-UHFFFAOYSA-N 1 3 357.546 2.804 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1CN(C)CCCN(C)CC[NH+](C)C ZINC000573289183 518593619 /nfs/dbraw/zinc/59/36/19/518593619.db2.gz SYZBJQJAWZDMBU-UHFFFAOYSA-N 1 3 357.546 2.804 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000567655142 518633748 /nfs/dbraw/zinc/63/37/48/518633748.db2.gz CBMFKRFHCXNQMX-IKGGRYGDSA-N 1 3 355.482 2.716 20 0 FFADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000567655145 518633950 /nfs/dbraw/zinc/63/39/50/518633950.db2.gz CBMFKRFHCXNQMX-ZACQAIPSSA-N 1 3 355.482 2.716 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000576537067 518640758 /nfs/dbraw/zinc/64/07/58/518640758.db2.gz VMULTVDLFKENBX-IBGZPJMESA-N 1 3 350.551 2.765 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000576537067 518640764 /nfs/dbraw/zinc/64/07/64/518640764.db2.gz VMULTVDLFKENBX-IBGZPJMESA-N 1 3 350.551 2.765 20 0 FFADHO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c(OC)c1 ZINC000576578788 518660956 /nfs/dbraw/zinc/66/09/56/518660956.db2.gz OCBBBXXKJMOTSC-RIOIIYTLSA-N 1 3 360.498 2.708 20 0 FFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC000570566724 518671330 /nfs/dbraw/zinc/67/13/30/518671330.db2.gz HDNXVUOZMDJTBG-QUCCMNQESA-N 1 3 358.530 2.670 20 0 FFADHO CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000582296742 518686614 /nfs/dbraw/zinc/68/66/14/518686614.db2.gz UOKOYDQTDMKYQQ-ZWKOTPCHSA-N 1 3 350.503 2.535 20 0 FFADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000579452865 518688111 /nfs/dbraw/zinc/68/81/11/518688111.db2.gz IEQHWOJIUVNZER-WSTZPKSXSA-N 1 3 373.545 2.595 20 0 FFADHO CCc1ccc([C@H](CNC(=O)NCC2CC[NH+](CC)CC2)N(C)C)cc1 ZINC000579498051 518711275 /nfs/dbraw/zinc/71/12/75/518711275.db2.gz RBTINCOJLYKMKC-FQEVSTJZSA-N 1 3 360.546 2.883 20 0 FFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567820382 518730219 /nfs/dbraw/zinc/73/02/19/518730219.db2.gz JPTKKWBTXXSQNR-XLIONFOSSA-N 1 3 358.530 2.766 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000567820382 518730222 /nfs/dbraw/zinc/73/02/22/518730222.db2.gz JPTKKWBTXXSQNR-XLIONFOSSA-N 1 3 358.530 2.766 20 0 FFADHO COc1ccc([C@H](NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C(C)C)cc1 ZINC000564988365 518731354 /nfs/dbraw/zinc/73/13/54/518731354.db2.gz GBCUOHWYUJWZEY-NNMXDRDESA-N 1 3 373.541 2.830 20 0 FFADHO CCO[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582497575 518783298 /nfs/dbraw/zinc/78/32/98/518783298.db2.gz WDENJOKICKFFPJ-WOJBJXKFSA-N 1 3 365.562 2.647 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000573696057 518792380 /nfs/dbraw/zinc/79/23/80/518792380.db2.gz YEPKRMUHQYTGAW-UHFFFAOYSA-N 1 3 360.502 2.754 20 0 FFADHO COCCC[NH+]1CCC(NCCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000568077424 518862083 /nfs/dbraw/zinc/86/20/83/518862083.db2.gz SBAWWQJMCIOZOA-UHFFFAOYSA-N 1 3 353.894 2.759 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1 ZINC000577204733 518964296 /nfs/dbraw/zinc/96/42/96/518964296.db2.gz CYKRZIOOPDTARV-NVXWUHKLSA-N 1 3 356.470 2.552 20 0 FFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)C1 ZINC000577204733 518964300 /nfs/dbraw/zinc/96/43/00/518964300.db2.gz CYKRZIOOPDTARV-NVXWUHKLSA-N 1 3 356.470 2.552 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000580070818 518993671 /nfs/dbraw/zinc/99/36/71/518993671.db2.gz AQBWRTARDAROIS-RVKKMQEKSA-N 1 3 350.507 2.503 20 0 FFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C1 ZINC000568368932 519004466 /nfs/dbraw/zinc/00/44/66/519004466.db2.gz SNVSSKGENJCKLY-HJNYFJLDSA-N 1 3 374.525 2.963 20 0 FFADHO C[C@@H]1C[C@H](NCCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000582959778 519008703 /nfs/dbraw/zinc/00/87/03/519008703.db2.gz NEPOPHFPXDCWAB-TZMCWYRMSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@@H]1C[C@H](NCCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000582959778 519008711 /nfs/dbraw/zinc/00/87/11/519008711.db2.gz NEPOPHFPXDCWAB-TZMCWYRMSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000568372709 519007918 /nfs/dbraw/zinc/00/79/18/519007918.db2.gz JXQJJAMGTFXOGW-PKOBYXMFSA-N 1 3 358.530 2.728 20 0 FFADHO [NH3+]CCC[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000580190922 519053469 /nfs/dbraw/zinc/05/34/69/519053469.db2.gz XWVGXRFYVJEQKB-SFTDATJTSA-N 1 3 366.509 2.890 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)cc1Cl ZINC000580351103 519131140 /nfs/dbraw/zinc/13/11/40/519131140.db2.gz QKKJSCVJYRAAHB-UHFFFAOYSA-N 1 3 350.265 2.698 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000574504572 519185566 /nfs/dbraw/zinc/18/55/66/519185566.db2.gz YJUZCJPWJMIZGG-RBBKRZOGSA-N 1 3 366.509 2.967 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)C2)C1 ZINC000574504572 519185573 /nfs/dbraw/zinc/18/55/73/519185573.db2.gz YJUZCJPWJMIZGG-RBBKRZOGSA-N 1 3 366.509 2.967 20 0 FFADHO C[C@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H](N)c1ccccc1 ZINC000565940717 519208501 /nfs/dbraw/zinc/20/85/01/519208501.db2.gz OKDFNVZMGRJBKD-GDVKCFTOSA-N 1 3 369.484 2.971 20 0 FFADHO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000571745823 519252036 /nfs/dbraw/zinc/25/20/36/519252036.db2.gz KTKFKGCSLKPNSS-DVWBAYGPSA-N 1 3 366.509 2.733 20 0 FFADHO C[C@@H](C(=O)Nc1cccc2ccccc21)N(C)CCCN(C)CC[NH+](C)C ZINC000577795410 519258163 /nfs/dbraw/zinc/25/81/63/519258163.db2.gz DZVRGDFQIIUEPB-SFHVURJKSA-N 1 3 370.541 2.982 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000571796385 519280499 /nfs/dbraw/zinc/28/04/99/519280499.db2.gz IJVTWKAXQUKMTD-HXUWFJFHSA-N 1 3 358.530 2.766 20 0 FFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000574716854 519295694 /nfs/dbraw/zinc/29/56/94/519295694.db2.gz WSACZLPGQCOPAH-IBGZPJMESA-N 1 3 360.546 2.710 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C[C@@H]1C[NH3+] ZINC000580704064 519311591 /nfs/dbraw/zinc/31/15/91/519311591.db2.gz CVYBENXPINLMQJ-CVYDXHPNSA-N 1 3 364.559 2.757 20 0 FFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000574760252 519318562 /nfs/dbraw/zinc/31/85/62/519318562.db2.gz XTKLLOXEIGDUAH-VNQPRFMTSA-N 1 3 357.420 2.942 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000574760251 519318718 /nfs/dbraw/zinc/31/87/18/519318718.db2.gz XTKLLOXEIGDUAH-IMJJTQAJSA-N 1 3 357.420 2.942 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1Cc1ccccc1 ZINC000580734090 519330082 /nfs/dbraw/zinc/33/00/82/519330082.db2.gz FQUCQLWTGZBJDK-OJAHFUOMSA-N 1 3 356.514 2.528 20 0 FFADHO C[C@H]1[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1Cc1ccccc1 ZINC000580734090 519330090 /nfs/dbraw/zinc/33/00/90/519330090.db2.gz FQUCQLWTGZBJDK-OJAHFUOMSA-N 1 3 356.514 2.528 20 0 FFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000571890701 519332644 /nfs/dbraw/zinc/33/26/44/519332644.db2.gz ZNVJJMPMQRURGJ-PZJWPPBQSA-N 1 3 369.513 2.602 20 0 FFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C1 ZINC000571890621 519333199 /nfs/dbraw/zinc/33/31/99/519333199.db2.gz SGVBUDJZRHVPRC-OALUTQOASA-N 1 3 358.461 2.934 20 0 FFADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000583613237 519339261 /nfs/dbraw/zinc/33/92/61/519339261.db2.gz KNWMAWYSDXKVIB-MRXNPFEDSA-N 1 3 368.481 2.811 20 0 FFADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000583613237 519339268 /nfs/dbraw/zinc/33/92/68/519339268.db2.gz KNWMAWYSDXKVIB-MRXNPFEDSA-N 1 3 368.481 2.811 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000577953234 519339318 /nfs/dbraw/zinc/33/93/18/519339318.db2.gz WJPVTSHJNWVMRX-GOSISDBHSA-N 1 3 371.447 2.945 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[NH2+]CC1CC1 ZINC000566191449 519361274 /nfs/dbraw/zinc/36/12/74/519361274.db2.gz MHXGQSUURBRQGE-UHFFFAOYSA-N 1 3 357.420 2.595 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)Nc2cccc3c2CCNC3)cc1 ZINC000571983048 519380634 /nfs/dbraw/zinc/38/06/34/519380634.db2.gz MLIITZYDVXOKKY-UHFFFAOYSA-N 1 3 352.482 2.758 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(F)c(F)c3)CC2)CC1 ZINC000569119306 519388522 /nfs/dbraw/zinc/38/85/22/519388522.db2.gz ZNAZIVHISALBNV-UHFFFAOYSA-N 1 3 365.468 2.777 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000572044395 519416075 /nfs/dbraw/zinc/41/60/75/519416075.db2.gz GWUCIHOOLWGPHU-OAQYLSRUSA-N 1 3 358.530 2.823 20 0 FFADHO O[C@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)Cc1cccc(Cl)c1 ZINC000572114923 519452476 /nfs/dbraw/zinc/45/24/76/519452476.db2.gz NCQRFVYMVSXEBE-SFTDATJTSA-N 1 3 374.912 2.600 20 0 FFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CNCc2ccccc21 ZINC000578190137 519465882 /nfs/dbraw/zinc/46/58/82/519465882.db2.gz WQUWIPZYKJRVOM-OXJNMPFZSA-N 1 3 369.534 2.963 20 0 FFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CNCc2ccccc21 ZINC000578190137 519465890 /nfs/dbraw/zinc/46/58/90/519465890.db2.gz WQUWIPZYKJRVOM-OXJNMPFZSA-N 1 3 369.534 2.963 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000591102068 519512414 /nfs/dbraw/zinc/51/24/14/519512414.db2.gz YBBMQLXHVYMGLI-QZTJIDSGSA-N 1 3 359.514 2.621 20 0 FFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000591102068 519512422 /nfs/dbraw/zinc/51/24/22/519512422.db2.gz YBBMQLXHVYMGLI-QZTJIDSGSA-N 1 3 359.514 2.621 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000591099605 519512476 /nfs/dbraw/zinc/51/24/76/519512476.db2.gz VAMQSFBRWCVUDC-MSOLQXFVSA-N 1 3 371.525 2.906 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000591099605 519512483 /nfs/dbraw/zinc/51/24/83/519512483.db2.gz VAMQSFBRWCVUDC-MSOLQXFVSA-N 1 3 371.525 2.906 20 0 FFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000581178929 519561084 /nfs/dbraw/zinc/56/10/84/519561084.db2.gz HMPKBJDSAQVNEU-IAGOWNOFSA-N 1 3 360.502 2.752 20 0 FFADHO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000581179761 519562478 /nfs/dbraw/zinc/56/24/78/519562478.db2.gz OWOBPRNXJXZCMU-GOSISDBHSA-N 1 3 350.466 2.728 20 0 FFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1c(Cl)cccc1Cl ZINC000566673362 519605640 /nfs/dbraw/zinc/60/56/40/519605640.db2.gz KAYJCXXLPMRQPV-CQSZACIVSA-N 1 3 359.297 2.950 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000591563919 519951955 /nfs/dbraw/zinc/95/19/55/519951955.db2.gz ZQZWAXPLVBZEFC-RTWAWAEBSA-N 1 3 370.541 2.921 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2COc3c2cccc3Cl)CC[NH2+]CC1 ZINC000591568339 519953811 /nfs/dbraw/zinc/95/38/11/519953811.db2.gz RSERTHWXEBGRDN-SWLSCSKDSA-N 1 3 352.862 2.685 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000608437794 519978657 /nfs/dbraw/zinc/97/86/57/519978657.db2.gz PDJWPBUVRVHHCI-NQIIRXRSSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCN1Cc1ccccc1 ZINC000608437794 519978663 /nfs/dbraw/zinc/97/86/63/519978663.db2.gz PDJWPBUVRVHHCI-NQIIRXRSSA-N 1 3 370.541 2.777 20 0 FFADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000602992103 520011251 /nfs/dbraw/zinc/01/12/51/520011251.db2.gz QMNJOVXBXQLUHC-HXUWFJFHSA-N 1 3 358.530 2.956 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000608656366 520067610 /nfs/dbraw/zinc/06/76/10/520067610.db2.gz MRUFGQROKDYERE-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000608656366 520067617 /nfs/dbraw/zinc/06/76/17/520067617.db2.gz MRUFGQROKDYERE-UXHICEINSA-N 1 3 358.530 2.682 20 0 FFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612863780 520193810 /nfs/dbraw/zinc/19/38/10/520193810.db2.gz AESJXTSBKXKKKN-QFIPXVFZSA-N 1 3 366.509 2.966 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000594976507 520237953 /nfs/dbraw/zinc/23/79/53/520237953.db2.gz MNLVRQRKKZJCDF-AHRSYUTCSA-N 1 3 356.514 2.605 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000594976507 520237960 /nfs/dbraw/zinc/23/79/60/520237960.db2.gz MNLVRQRKKZJCDF-AHRSYUTCSA-N 1 3 356.514 2.605 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965768 520245162 /nfs/dbraw/zinc/24/51/62/520245162.db2.gz FHGZNMWAOSGZCV-QGZVFWFLSA-N 1 3 364.921 2.555 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612969819 520247084 /nfs/dbraw/zinc/24/70/84/520247084.db2.gz GZQXZEKKOWQDMC-RTBURBONSA-N 1 3 356.514 2.655 20 0 FFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978655 520253947 /nfs/dbraw/zinc/25/39/47/520253947.db2.gz ZNZORFLSARJGRH-WOJBJXKFSA-N 1 3 370.541 2.682 20 0 FFADHO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604195177 520481718 /nfs/dbraw/zinc/48/17/18/520481718.db2.gz SNPPGQMTJQQMIK-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000604195177 520481727 /nfs/dbraw/zinc/48/17/27/520481727.db2.gz SNPPGQMTJQQMIK-AZUAARDMSA-N 1 3 358.530 2.855 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000604201821 520483651 /nfs/dbraw/zinc/48/36/51/520483651.db2.gz KNFOZRVNZNTYOI-RTWAWAEBSA-N 1 3 370.541 2.997 20 0 FFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000604201821 520483657 /nfs/dbraw/zinc/48/36/57/520483657.db2.gz KNFOZRVNZNTYOI-RTWAWAEBSA-N 1 3 370.541 2.997 20 0 FFADHO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504200 520537623 /nfs/dbraw/zinc/53/76/23/520537623.db2.gz KQQUZIHIDVITHQ-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504200 520537629 /nfs/dbraw/zinc/53/76/29/520537629.db2.gz KQQUZIHIDVITHQ-HNNXBMFYSA-N 1 3 358.486 2.652 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000617506643 520540499 /nfs/dbraw/zinc/54/04/99/520540499.db2.gz UYGTWVBULMVKPV-HOTGVXAUSA-N 1 3 353.938 2.907 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000617506643 520540504 /nfs/dbraw/zinc/54/05/04/520540504.db2.gz UYGTWVBULMVKPV-HOTGVXAUSA-N 1 3 353.938 2.907 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000617505646 520542069 /nfs/dbraw/zinc/54/20/69/520542069.db2.gz LOJKMULGVRUVLD-RBDMOPTHSA-N 1 3 357.542 2.669 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000617505646 520542076 /nfs/dbraw/zinc/54/20/76/520542076.db2.gz LOJKMULGVRUVLD-RBDMOPTHSA-N 1 3 357.542 2.669 20 0 FFADHO Cc1ccc(Br)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505854 520542107 /nfs/dbraw/zinc/54/21/07/520542107.db2.gz SJCULTLTTZLSHT-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO Cc1ccc(Br)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505854 520542113 /nfs/dbraw/zinc/54/21/13/520542113.db2.gz SJCULTLTTZLSHT-AWEZNQCLSA-N 1 3 370.335 2.759 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000617504969 520542242 /nfs/dbraw/zinc/54/22/42/520542242.db2.gz RIQQYEXBUBGVGN-RRFJBIMHSA-N 1 3 351.457 2.743 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000617504969 520542248 /nfs/dbraw/zinc/54/22/48/520542248.db2.gz RIQQYEXBUBGVGN-RRFJBIMHSA-N 1 3 351.457 2.743 20 0 FFADHO Cc1onc(-c2ccccc2C)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507219 520544336 /nfs/dbraw/zinc/54/43/36/520544336.db2.gz MSLFROSKVLKRDS-INIZCTEOSA-N 1 3 372.513 2.960 20 0 FFADHO Cc1onc(-c2ccccc2C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507219 520544341 /nfs/dbraw/zinc/54/43/41/520544341.db2.gz MSLFROSKVLKRDS-INIZCTEOSA-N 1 3 372.513 2.960 20 0 FFADHO CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCN(C2CC2)C1 ZINC000601241542 520703464 /nfs/dbraw/zinc/70/34/64/520703464.db2.gz XAKMETPQBVQLSK-FQEVSTJZSA-N 1 3 356.514 2.661 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)c3cccs3)CC2)CC1 ZINC000604917349 520709526 /nfs/dbraw/zinc/70/95/26/520709526.db2.gz NPXAIDYJVNLMLH-UHFFFAOYSA-N 1 3 364.559 2.841 20 0 FFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000601254078 520710613 /nfs/dbraw/zinc/71/06/13/520710613.db2.gz BHTKTJZTIASVRG-PMACEKPBSA-N 1 3 358.530 2.823 20 0 FFADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1C ZINC000595905920 520811663 /nfs/dbraw/zinc/81/16/63/520811663.db2.gz XXRORHSJSFZEEH-CRAIPNDOSA-N 1 3 360.502 2.791 20 0 FFADHO CC[C@H](C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)[NH+](CC)CC ZINC000605425119 520871314 /nfs/dbraw/zinc/87/13/14/520871314.db2.gz VDILUSQLIAAVGH-OAQYLSRUSA-N 1 3 374.573 2.561 20 0 FFADHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000593597508 521099888 /nfs/dbraw/zinc/09/98/88/521099888.db2.gz ZAVGJADTOPQNLR-ROUUACIJSA-N 1 3 367.578 2.893 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606683178 521133505 /nfs/dbraw/zinc/13/35/05/521133505.db2.gz NDYSRZKGSVWAHL-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606683178 521133517 /nfs/dbraw/zinc/13/35/17/521133517.db2.gz NDYSRZKGSVWAHL-QZTJIDSGSA-N 1 3 350.551 2.909 20 0 FFADHO C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606690260 521138591 /nfs/dbraw/zinc/13/85/91/521138591.db2.gz RDGJIRCDRRZWEP-XLIONFOSSA-N 1 3 358.530 2.681 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2o1 ZINC000593736280 521181784 /nfs/dbraw/zinc/18/17/84/521181784.db2.gz LHMOFAMKGYMWKI-WDYCEAGBSA-N 1 3 372.465 2.938 20 0 FFADHO O=C(NCCN1CCCCC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000611637078 521260419 /nfs/dbraw/zinc/26/04/19/521260419.db2.gz BAHPTAASLWXQED-UHFFFAOYSA-N 1 3 350.551 2.960 20 0 FFADHO CC(C)OC(=O)C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000602666514 521467478 /nfs/dbraw/zinc/46/74/78/521467478.db2.gz KKGYNDYIBYYEST-IBGZPJMESA-N 1 3 362.514 2.894 20 0 FFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000615619216 521477683 /nfs/dbraw/zinc/47/76/83/521477683.db2.gz LRSDMNZRNCHSSL-UGKGYDQZSA-N 1 3 373.516 2.982 20 0 FFADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)C2 ZINC000615619216 521477692 /nfs/dbraw/zinc/47/76/92/521477692.db2.gz LRSDMNZRNCHSSL-UGKGYDQZSA-N 1 3 373.516 2.982 20 0 FFADHO COc1cc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc(OC)c1OC ZINC000635007153 521864963 /nfs/dbraw/zinc/86/49/63/521864963.db2.gz FGGUHLKRSPPCTB-AWEZNQCLSA-N 1 3 372.469 2.690 20 0 FFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635014013 521867834 /nfs/dbraw/zinc/86/78/34/521867834.db2.gz XQLLRCIONFIPSR-GQIGUUNPSA-N 1 3 360.523 2.742 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CCN(C)CC1 ZINC000623353464 521958939 /nfs/dbraw/zinc/95/89/39/521958939.db2.gz MPZXUHDUSFLBAS-LEWJYISDSA-N 1 3 355.526 2.697 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CCN(C)CC1 ZINC000623353464 521958943 /nfs/dbraw/zinc/95/89/43/521958943.db2.gz MPZXUHDUSFLBAS-LEWJYISDSA-N 1 3 355.526 2.697 20 0 FFADHO COc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1OC1CC1 ZINC000623387276 521982609 /nfs/dbraw/zinc/98/26/09/521982609.db2.gz UAUPADOJKPSIHV-UHFFFAOYSA-N 1 3 373.541 2.885 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000623465239 522043921 /nfs/dbraw/zinc/04/39/21/522043921.db2.gz HPXAGZCSIZGXEG-IBGZPJMESA-N 1 3 350.551 2.815 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)N(C)C)cc1 ZINC000623566600 522126376 /nfs/dbraw/zinc/12/63/76/522126376.db2.gz XRCURQJOVNJAFW-WOJBJXKFSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)N(C)C)cc1 ZINC000623566600 522126382 /nfs/dbraw/zinc/12/63/82/522126382.db2.gz XRCURQJOVNJAFW-WOJBJXKFSA-N 1 3 358.530 2.914 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)c(C)c2)CC1 ZINC000620304835 522171943 /nfs/dbraw/zinc/17/19/43/522171943.db2.gz YUIKHFOZQKBXBV-SFHVURJKSA-N 1 3 358.530 2.855 20 0 FFADHO C[N@H+](CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000623645408 522189912 /nfs/dbraw/zinc/18/99/12/522189912.db2.gz CQVXIVVMUPHDML-LJQANCHMSA-N 1 3 358.530 2.674 20 0 FFADHO C[N@@H+](CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCCC1 ZINC000623645408 522189927 /nfs/dbraw/zinc/18/99/27/522189927.db2.gz CQVXIVVMUPHDML-LJQANCHMSA-N 1 3 358.530 2.674 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623694070 522220670 /nfs/dbraw/zinc/22/06/70/522220670.db2.gz XGVBCIJBNBNXCA-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623694070 522220676 /nfs/dbraw/zinc/22/06/76/522220676.db2.gz XGVBCIJBNBNXCA-NRSPTQNISA-N 1 3 372.557 2.928 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000620551014 522289056 /nfs/dbraw/zinc/28/90/56/522289056.db2.gz XNJYHJVPYJZMBZ-CVEARBPZSA-N 1 3 352.548 2.915 20 0 FFADHO c1ccc2c(c1)CO[C@H](CN[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000629512669 522291885 /nfs/dbraw/zinc/29/18/85/522291885.db2.gz HXTRWAMFBDZQTB-DWLFOUALSA-N 1 3 350.462 2.973 20 0 FFADHO [NH3+]CCCOCCNCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000629660646 522379915 /nfs/dbraw/zinc/37/99/15/522379915.db2.gz XBCGHWMBPHWHGO-UHFFFAOYSA-N 1 3 350.466 2.994 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)c2)CC1 ZINC000632934019 522404952 /nfs/dbraw/zinc/40/49/52/522404952.db2.gz PORZVWVRHGAIGH-GOSISDBHSA-N 1 3 373.545 2.728 20 0 FFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000635639600 522414471 /nfs/dbraw/zinc/41/44/71/522414471.db2.gz BTYIPZZPAUCMBI-UNMCSNQZSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000635639600 522414480 /nfs/dbraw/zinc/41/44/80/522414480.db2.gz BTYIPZZPAUCMBI-UNMCSNQZSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000635639597 522415014 /nfs/dbraw/zinc/41/50/14/522415014.db2.gz BTYIPZZPAUCMBI-IFMALSPDSA-N 1 3 355.526 2.843 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000635639597 522415025 /nfs/dbraw/zinc/41/50/25/522415025.db2.gz BTYIPZZPAUCMBI-IFMALSPDSA-N 1 3 355.526 2.843 20 0 FFADHO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000624026143 522429354 /nfs/dbraw/zinc/42/93/54/522429354.db2.gz SNORBRLGDYOOIE-HXUWFJFHSA-N 1 3 358.530 2.676 20 0 FFADHO CN1CCC(n2cc(NC(=O)N[C@@H](CCC[NH3+])c3ccccc3)cn2)CC1 ZINC000632962356 522430589 /nfs/dbraw/zinc/43/05/89/522430589.db2.gz ZVMHFLMNWOHYPQ-IBGZPJMESA-N 1 3 370.501 2.752 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccc(OC)c1 ZINC000626926765 522534803 /nfs/dbraw/zinc/53/48/03/522534803.db2.gz OFBJXVHLYBLJOK-OALUTQOASA-N 1 3 374.529 2.662 20 0 FFADHO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CCO1 ZINC000620980511 522559627 /nfs/dbraw/zinc/55/96/27/522559627.db2.gz WEODOVMYAXLKDE-NRFANRHFSA-N 1 3 373.541 2.855 20 0 FFADHO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C[NH2+]1 ZINC000626984573 522572270 /nfs/dbraw/zinc/57/22/70/522572270.db2.gz IOIOZIDCSIKJGV-AESZEHBQSA-N 1 3 350.532 2.571 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)N(C)C)cc1 ZINC000627037749 522610531 /nfs/dbraw/zinc/61/05/31/522610531.db2.gz UPPJXXRTRCNIDO-SUMDDJOVSA-N 1 3 362.518 2.516 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000624385427 522650615 /nfs/dbraw/zinc/65/06/15/522650615.db2.gz CXHIGTKWAQNWFI-WOJBJXKFSA-N 1 3 370.541 2.682 20 0 FFADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000624385427 522650620 /nfs/dbraw/zinc/65/06/20/522650620.db2.gz CXHIGTKWAQNWFI-WOJBJXKFSA-N 1 3 370.541 2.682 20 0 FFADHO CN(C(=O)[C@H]1CC[N@@H+]1C1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000636011773 522686949 /nfs/dbraw/zinc/68/69/49/522686949.db2.gz LMEGLBSGYNKQPF-MRXNPFEDSA-N 1 3 361.452 2.879 20 0 FFADHO CN(C(=O)[C@H]1CC[N@H+]1C1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000636011773 522686958 /nfs/dbraw/zinc/68/69/58/522686958.db2.gz LMEGLBSGYNKQPF-MRXNPFEDSA-N 1 3 361.452 2.879 20 0 FFADHO COc1cccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000621641184 522990851 /nfs/dbraw/zinc/99/08/51/522990851.db2.gz CEDHQZGDNVXAAR-PXNSSMCTSA-N 1 3 359.514 2.728 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4cccnc4c3)CC2)CC1 ZINC000630862318 523197631 /nfs/dbraw/zinc/19/76/31/523197631.db2.gz GUYJEUSZFOGQQH-UHFFFAOYSA-N 1 3 352.482 2.523 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cscc1C(F)(F)F ZINC000622137759 523284023 /nfs/dbraw/zinc/28/40/23/523284023.db2.gz YDYZLFWRKBWIFA-NSHDSACASA-N 1 3 351.438 2.769 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cscc1C(F)(F)F ZINC000622137759 523284029 /nfs/dbraw/zinc/28/40/29/523284029.db2.gz YDYZLFWRKBWIFA-NSHDSACASA-N 1 3 351.438 2.769 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CCCC1 ZINC000625274426 523311915 /nfs/dbraw/zinc/31/19/15/523311915.db2.gz DMKAPFKZQIMNDK-JRGCBEDISA-N 1 3 355.526 2.745 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CCCC1 ZINC000625274426 523311925 /nfs/dbraw/zinc/31/19/25/523311925.db2.gz DMKAPFKZQIMNDK-JRGCBEDISA-N 1 3 355.526 2.745 20 0 FFADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)cn2)CC1 ZINC000637278526 523529297 /nfs/dbraw/zinc/52/92/97/523529297.db2.gz GZOHDBCGPYOJKQ-MRXNPFEDSA-N 1 3 374.533 2.678 20 0 FFADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)cn2)CC1 ZINC000637278526 523529321 /nfs/dbraw/zinc/52/93/21/523529321.db2.gz GZOHDBCGPYOJKQ-MRXNPFEDSA-N 1 3 374.533 2.678 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000637380911 523598999 /nfs/dbraw/zinc/59/89/99/523598999.db2.gz PZEQIEMJGNFTFH-YSIASYRMSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000637380911 523599007 /nfs/dbraw/zinc/59/90/07/523599007.db2.gz PZEQIEMJGNFTFH-YSIASYRMSA-N 1 3 358.530 2.775 20 0 FFADHO COc1cc(CN(C)CC2(C)COC2)cc(C[N@H+](C)CC2(C)COC2)c1 ZINC000625793599 523691149 /nfs/dbraw/zinc/69/11/49/523691149.db2.gz YKGQVEYIHKEFFX-UHFFFAOYSA-N 1 3 362.514 2.632 20 0 FFADHO COc1cc(CN(C)CC2(C)COC2)cc(C[N@@H+](C)CC2(C)COC2)c1 ZINC000625793599 523691156 /nfs/dbraw/zinc/69/11/56/523691156.db2.gz YKGQVEYIHKEFFX-UHFFFAOYSA-N 1 3 362.514 2.632 20 0 FFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCNc4cnccn4)[C@@H]3C2)cc1 ZINC000512648886 561911225 /nfs/dbraw/zinc/91/12/25/561911225.db2.gz PIXGXJVTFVASAS-ZCNNSNEGSA-N 1 3 351.498 2.779 20 0 FFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCNc4cnccn4)[C@@H]3C2)cc1 ZINC000512648886 561911226 /nfs/dbraw/zinc/91/12/26/561911226.db2.gz PIXGXJVTFVASAS-ZCNNSNEGSA-N 1 3 351.498 2.779 20 0 FFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCNc4cnccn4)[C@@H]3C2)cc1 ZINC000512648886 561911227 /nfs/dbraw/zinc/91/12/27/561911227.db2.gz PIXGXJVTFVASAS-ZCNNSNEGSA-N 1 3 351.498 2.779 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643228169 568026590 /nfs/dbraw/zinc/02/65/90/568026590.db2.gz JGZKTJDSOAPMPW-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643228169 568026591 /nfs/dbraw/zinc/02/65/91/568026591.db2.gz JGZKTJDSOAPMPW-VQTJNVASSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643228170 568026764 /nfs/dbraw/zinc/02/67/64/568026764.db2.gz JGZKTJDSOAPMPW-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643228170 568026766 /nfs/dbraw/zinc/02/67/66/568026766.db2.gz JGZKTJDSOAPMPW-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO Cc1nccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1Cl ZINC000122389305 728647005 /nfs/dbraw/zinc/64/70/05/728647005.db2.gz HVOIRQRYPUQHEM-UHFFFAOYSA-N 1 3 365.909 2.724 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145869975 728742774 /nfs/dbraw/zinc/74/27/74/728742774.db2.gz PFNHRRXYFVSJFU-KRWDZBQOSA-N 1 3 362.587 2.845 20 0 FFADHO COc1c(Br)cccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000187210968 729373649 /nfs/dbraw/zinc/37/36/49/729373649.db2.gz WIHYCVJSSVCRNT-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO COc1c(Br)cccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000187210968 729373651 /nfs/dbraw/zinc/37/36/51/729373651.db2.gz WIHYCVJSSVCRNT-UHFFFAOYSA-N 1 3 370.335 2.575 20 0 FFADHO CCO[C@@H](CC[NH+](C)C)CNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638882462 730050071 /nfs/dbraw/zinc/05/00/71/730050071.db2.gz YQVTZIMBMHHCOD-ZDUSSCGKSA-N 1 3 362.440 2.685 20 0 FFADHO O[C@@H]1CCN(CCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@H]12 ZINC000640097857 730123071 /nfs/dbraw/zinc/12/30/71/730123071.db2.gz BCNQGARWMGELNG-RFUSENCQSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CCN(CCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@H]12 ZINC000640097857 730123072 /nfs/dbraw/zinc/12/30/72/730123072.db2.gz BCNQGARWMGELNG-RFUSENCQSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CC[N@@H+](CCCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@H]12 ZINC000640097857 730123074 /nfs/dbraw/zinc/12/30/74/730123074.db2.gz BCNQGARWMGELNG-RFUSENCQSA-N 1 3 350.547 2.627 20 0 FFADHO O[C@@H]1CC[N@H+](CCCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@H]12 ZINC000640097857 730123075 /nfs/dbraw/zinc/12/30/75/730123075.db2.gz BCNQGARWMGELNG-RFUSENCQSA-N 1 3 350.547 2.627 20 0 FFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCc1nc2c(s1)CCCC2 ZINC000644609952 730487176 /nfs/dbraw/zinc/48/71/76/730487176.db2.gz OKZFYYIPJGKOTH-QGZVFWFLSA-N 1 3 359.539 2.647 20 0 FFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCc1nc2c(s1)CCCC2 ZINC000644609952 730487178 /nfs/dbraw/zinc/48/71/78/730487178.db2.gz OKZFYYIPJGKOTH-QGZVFWFLSA-N 1 3 359.539 2.647 20 0 FFADHO CCCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCN(C)C1 ZINC000645422396 730551695 /nfs/dbraw/zinc/55/16/95/730551695.db2.gz LLYUTRUIDZJGTI-LMMKCTJWSA-N 1 3 350.551 2.765 20 0 FFADHO CCCN(C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCN(C)C1 ZINC000645422396 730551698 /nfs/dbraw/zinc/55/16/98/730551698.db2.gz LLYUTRUIDZJGTI-LMMKCTJWSA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000925128926 738480385 /nfs/dbraw/zinc/48/03/85/738480385.db2.gz FGIQEFLNIFLEPM-GDBMZVCRSA-N 1 3 353.304 2.529 20 0 FFADHO C[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1(Br)CC1 ZINC000925128926 738480387 /nfs/dbraw/zinc/48/03/87/738480387.db2.gz FGIQEFLNIFLEPM-GDBMZVCRSA-N 1 3 353.304 2.529 20 0 FFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000863552163 730790214 /nfs/dbraw/zinc/79/02/14/730790214.db2.gz PSXMNXQIIFLIEJ-MUZJZNNISA-N 1 3 354.535 2.712 20 0 FFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648447403 730809709 /nfs/dbraw/zinc/80/97/09/730809709.db2.gz MIJUVXDBMHKYSR-AWEZNQCLSA-N 1 3 350.894 2.844 20 0 FFADHO C[NH+](C)C1CCN(CCNCc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865484422 730961423 /nfs/dbraw/zinc/96/14/23/730961423.db2.gz WNASKAODGLEHII-UHFFFAOYSA-N 1 3 363.399 2.840 20 0 FFADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000925655529 738520557 /nfs/dbraw/zinc/52/05/57/738520557.db2.gz VSMNPUNXJWJZKC-KKUMJFAQSA-N 1 3 355.324 2.792 20 0 FFADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000925732991 738524879 /nfs/dbraw/zinc/52/48/79/738524879.db2.gz IGXMERHKUJPCPN-UIAACRFSSA-N 1 3 364.555 2.952 20 0 FFADHO C[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000925732321 738525025 /nfs/dbraw/zinc/52/50/25/738525025.db2.gz DVHKRELDNVMCCN-NKGKWGDASA-N 1 3 350.528 2.560 20 0 FFADHO C[C@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000925732321 738525029 /nfs/dbraw/zinc/52/50/29/738525029.db2.gz DVHKRELDNVMCCN-NKGKWGDASA-N 1 3 350.528 2.560 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656197492 731557246 /nfs/dbraw/zinc/55/72/46/731557246.db2.gz MZIFRPNKSHFRQU-HUUCEWRRSA-N 1 3 368.319 2.657 20 0 FFADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1OC(F)F ZINC000925853408 738537303 /nfs/dbraw/zinc/53/73/03/738537303.db2.gz ISJPPPZKVAGAFI-CHWSQXEVSA-N 1 3 354.397 2.624 20 0 FFADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)s1 ZINC000925854035 738537443 /nfs/dbraw/zinc/53/74/43/738537443.db2.gz JXHHRBPHLJDKFN-QWRGUYRKSA-N 1 3 373.316 2.847 20 0 FFADHO COc1ccc(Br)c(CN[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000657573592 731792355 /nfs/dbraw/zinc/79/23/55/731792355.db2.gz QQOMBXLASKBVTE-AWEZNQCLSA-N 1 3 372.351 2.819 20 0 FFADHO O=C1O[C@@H](CN[C@H]2CCCOc3cc(Cl)ccc32)CC12CC[NH2+]CC2 ZINC000925858495 738538687 /nfs/dbraw/zinc/53/86/87/738538687.db2.gz TXIYPCYOZNTVCJ-ZBFHGGJFSA-N 1 3 364.873 2.829 20 0 FFADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)c2)nn1 ZINC000873215479 731891785 /nfs/dbraw/zinc/89/17/85/731891785.db2.gz BETLWGTVHOUAAD-UONOGXRCSA-N 1 3 353.392 2.937 20 0 FFADHO Cc1c([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000873258070 731895491 /nfs/dbraw/zinc/89/54/91/731895491.db2.gz LXOFHXIJSMNPLY-JKOKRWQUSA-N 1 3 364.291 2.726 20 0 FFADHO C[C@H]1CN(CCc2nsc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660153757 732073298 /nfs/dbraw/zinc/07/32/98/732073298.db2.gz HNEKDHJATICYKS-QFBILLFUSA-N 1 3 358.555 2.797 20 0 FFADHO C[C@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000660153757 732073302 /nfs/dbraw/zinc/07/33/02/732073302.db2.gz HNEKDHJATICYKS-QFBILLFUSA-N 1 3 358.555 2.797 20 0 FFADHO C[C@H]1C[N@@H+](CCc2nsc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000660153757 732073306 /nfs/dbraw/zinc/07/33/06/732073306.db2.gz HNEKDHJATICYKS-QFBILLFUSA-N 1 3 358.555 2.797 20 0 FFADHO O[C@@H]1CCCC[C@H]1N1CCCC2(CCC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000660565987 732123462 /nfs/dbraw/zinc/12/34/62/732123462.db2.gz LEZBKZXLZIRUTM-CVNCVKFOSA-N 1 3 350.547 2.771 20 0 FFADHO O[C@@H]1CCCC[C@H]1N1CCCC2(CCC[N@H+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000660565987 732123463 /nfs/dbraw/zinc/12/34/63/732123463.db2.gz LEZBKZXLZIRUTM-CVNCVKFOSA-N 1 3 350.547 2.771 20 0 FFADHO CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663450439 732443561 /nfs/dbraw/zinc/44/35/61/732443561.db2.gz JEBVRRQQMXTMNX-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663450439 732443565 /nfs/dbraw/zinc/44/35/65/732443565.db2.gz JEBVRRQQMXTMNX-HZPDHXFCSA-N 1 3 350.532 2.621 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000664874197 732642700 /nfs/dbraw/zinc/64/27/00/732642700.db2.gz HGIZJLMQDFEJJH-GVDBMIGSSA-N 1 3 350.507 2.835 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1ccco1 ZINC000664874197 732642702 /nfs/dbraw/zinc/64/27/02/732642702.db2.gz HGIZJLMQDFEJJH-GVDBMIGSSA-N 1 3 350.507 2.835 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000665357266 732698717 /nfs/dbraw/zinc/69/87/17/732698717.db2.gz IPAZWASVECIUIP-DLBZAZTESA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000665357266 732698718 /nfs/dbraw/zinc/69/87/18/732698718.db2.gz IPAZWASVECIUIP-DLBZAZTESA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000665553715 732725877 /nfs/dbraw/zinc/72/58/77/732725877.db2.gz ZMIBAJWDZGYMIC-DLBZAZTESA-N 1 3 350.482 2.600 20 0 FFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000665553715 732725885 /nfs/dbraw/zinc/72/58/85/732725885.db2.gz ZMIBAJWDZGYMIC-DLBZAZTESA-N 1 3 350.482 2.600 20 0 FFADHO C[C@@H](CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+](C)C ZINC000665900219 732770577 /nfs/dbraw/zinc/77/05/77/732770577.db2.gz BKIXFRCRZSRRQW-INIZCTEOSA-N 1 3 364.559 2.740 20 0 FFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[C@H]1[NH3+] ZINC000668661153 733150647 /nfs/dbraw/zinc/15/06/47/733150647.db2.gz QVRYLGYXMIKNIA-BZUAXINKSA-N 1 3 350.532 2.654 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)N(C)C)cc1 ZINC000891922338 734495274 /nfs/dbraw/zinc/49/52/74/734495274.db2.gz JRPCWBHRYJGVPI-ZVZYQTTQSA-N 1 3 364.559 2.828 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)N(C)C)cc1 ZINC000891922436 734495725 /nfs/dbraw/zinc/49/57/25/734495725.db2.gz NWOJQDIQHKNCID-KURKYZTESA-N 1 3 362.543 2.547 20 0 FFADHO CN1CCN(C2CC[NH+](Cc3ccccc3OCC(F)F)CC2)CC1 ZINC000895461864 735009731 /nfs/dbraw/zinc/00/97/31/735009731.db2.gz PTBUZOAZLGPEPE-UHFFFAOYSA-N 1 3 353.457 2.542 20 0 FFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000741804922 735163169 /nfs/dbraw/zinc/16/31/69/735163169.db2.gz CTOJDXBSRIRKJK-CQSZACIVSA-N 1 3 364.361 2.596 20 0 FFADHO CN(C(=O)NCCCCCCC[NH+]1CCCC1)[C@H]1CCN(C2CC2)C1 ZINC000747957652 735605123 /nfs/dbraw/zinc/60/51/23/735605123.db2.gz VRNLEMKWFSXGFZ-IBGZPJMESA-N 1 3 350.551 2.911 20 0 FFADHO CS(=O)(=O)c1cccc([C@@H](N[C@H]2C[C@H](C[NH3+])C2)c2ccc(F)cc2)c1 ZINC000902484786 735951525 /nfs/dbraw/zinc/95/15/25/735951525.db2.gz HOTIOBBIPSYNDI-IXDGSTSKSA-N 1 3 362.470 2.646 20 0 FFADHO CC1(C)C[C@@H](NCc2cccc(NS(=O)(=O)C3CC3)c2)C[C@@H]([NH3+])C1 ZINC000902513688 735954381 /nfs/dbraw/zinc/95/43/81/735954381.db2.gz GYMFFKXFCNYMNT-ZBFHGGJFSA-N 1 3 351.516 2.586 20 0 FFADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2 ZINC000903843995 736174217 /nfs/dbraw/zinc/17/42/17/736174217.db2.gz ZCIRXMKIVWAHCY-DLKVLKDVSA-N 1 3 353.388 2.622 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cncc(SC)c3)CC2)CC1 ZINC000911053456 737166070 /nfs/dbraw/zinc/16/60/70/737166070.db2.gz WMIILCSRPJWKOV-UHFFFAOYSA-N 1 3 362.543 2.938 20 0 FFADHO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775389248 738089816 /nfs/dbraw/zinc/08/98/16/738089816.db2.gz VOMDOGJRNODHCV-OXQOHEQNSA-N 1 3 350.503 2.729 20 0 FFADHO O=C(OCCC[NH+]1CCCC1)C1CCN(c2cccc(Cl)c2)C1=O ZINC000800175526 740496576 /nfs/dbraw/zinc/49/65/76/740496576.db2.gz OSWRGPAICUCAQB-MRXNPFEDSA-N 1 3 350.846 2.722 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000806495426 741064948 /nfs/dbraw/zinc/06/49/48/741064948.db2.gz GOMAQNUUABKKQH-ULQDDVLXSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@@H]1[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000806607619 741074312 /nfs/dbraw/zinc/07/43/12/741074312.db2.gz LNLQVLQLMGGXIC-SJLPKXTDSA-N 1 3 362.587 2.701 20 0 FFADHO C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000810670747 741439227 /nfs/dbraw/zinc/43/92/27/741439227.db2.gz KISKZNZOUCXKIJ-YRNRMSPPSA-N 1 3 353.526 2.968 20 0 FFADHO C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000810670747 741439228 /nfs/dbraw/zinc/43/92/28/741439228.db2.gz KISKZNZOUCXKIJ-YRNRMSPPSA-N 1 3 353.526 2.968 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccnc(Cl)c3)C2)CC[N@@H+]1C ZINC000999208212 742056001 /nfs/dbraw/zinc/05/60/01/742056001.db2.gz MEYLJMIBTMYGIN-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccnc(Cl)c3)C2)CC[N@H+]1C ZINC000999208212 742056005 /nfs/dbraw/zinc/05/60/05/742056005.db2.gz MEYLJMIBTMYGIN-IXDOHACOSA-N 1 3 364.921 2.546 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN(Cc4ccsc4)CC3)CC2)CC[N@@H+]1C ZINC001000162479 742078328 /nfs/dbraw/zinc/07/83/28/742078328.db2.gz WXOGFQHBCXZANE-CRAIPNDOSA-N 1 3 361.555 2.949 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC2(C3CCN(Cc4ccsc4)CC3)CC2)CC[N@H+]1C ZINC001000162479 742078332 /nfs/dbraw/zinc/07/83/32/742078332.db2.gz WXOGFQHBCXZANE-CRAIPNDOSA-N 1 3 361.555 2.949 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817929177 742222999 /nfs/dbraw/zinc/22/29/99/742222999.db2.gz FKAMMBYPTHEFIH-GTNSWQLSSA-N 1 3 364.287 2.995 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)c2cccc(Br)c2)CCCO1 ZINC000819266169 742363942 /nfs/dbraw/zinc/36/39/42/742363942.db2.gz WSMWVRVIYACZHR-PBHICJAKSA-N 1 3 371.319 2.573 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)c2cccc(Br)c2)CCCO1 ZINC000819266169 742363948 /nfs/dbraw/zinc/36/39/48/742363948.db2.gz WSMWVRVIYACZHR-PBHICJAKSA-N 1 3 371.319 2.573 20 0 FFADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000819264817 742364048 /nfs/dbraw/zinc/36/40/48/742364048.db2.gz GLCDVTLYTDBRSG-RHSMWYFYSA-N 1 3 360.420 2.829 20 0 FFADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000819264817 742364052 /nfs/dbraw/zinc/36/40/52/742364052.db2.gz GLCDVTLYTDBRSG-RHSMWYFYSA-N 1 3 360.420 2.829 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001014505404 742471087 /nfs/dbraw/zinc/47/10/87/742471087.db2.gz AXYTYSUMGGKEJD-CEXWTWQISA-N 1 3 363.933 2.803 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001014505404 742471091 /nfs/dbraw/zinc/47/10/91/742471091.db2.gz AXYTYSUMGGKEJD-CEXWTWQISA-N 1 3 363.933 2.803 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(CCC(F)(F)F)CC3)CC[N@@H+]1C ZINC001016631837 742492229 /nfs/dbraw/zinc/49/22/29/742492229.db2.gz ZXVIKNXVRZZGMS-RRFJBIMHSA-N 1 3 361.452 2.640 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC23CCN(CCC(F)(F)F)CC3)CC[N@H+]1C ZINC001016631837 742492232 /nfs/dbraw/zinc/49/22/32/742492232.db2.gz ZXVIKNXVRZZGMS-RRFJBIMHSA-N 1 3 361.452 2.640 20 0 FFADHO CC[C@H](F)CN1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707771 743024515 /nfs/dbraw/zinc/02/45/15/743024515.db2.gz IEQCXORESWHHTI-OKZBNKHCSA-N 1 3 353.526 2.779 20 0 FFADHO CC[C@H](F)CN1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707771 743024533 /nfs/dbraw/zinc/02/45/33/743024533.db2.gz IEQCXORESWHHTI-OKZBNKHCSA-N 1 3 353.526 2.779 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827889873 744997498 /nfs/dbraw/zinc/99/74/98/744997498.db2.gz NXFOWWXCIZRKGB-GDBMZVCRSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000827889873 744997501 /nfs/dbraw/zinc/99/75/01/744997501.db2.gz NXFOWWXCIZRKGB-GDBMZVCRSA-N 1 3 352.910 2.670 20 0 FFADHO Cc1cc([C@H](N)CC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc(Cl)n1 ZINC000830355708 745342141 /nfs/dbraw/zinc/34/21/41/745342141.db2.gz MQTOJUCVPZKHFO-QGZVFWFLSA-N 1 3 364.921 2.768 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCC([NH+]3CCCCC3)CC2)cc(Cl)n1 ZINC000831803233 745586836 /nfs/dbraw/zinc/58/68/36/745586836.db2.gz ICUZMJPWOKQTJR-KRWDZBQOSA-N 1 3 364.921 2.910 20 0 FFADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846781110 748543437 /nfs/dbraw/zinc/54/34/37/748543437.db2.gz UBCWUPWJWGERTD-SJORKVTESA-N 1 3 355.320 2.769 20 0 FFADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846781110 748543439 /nfs/dbraw/zinc/54/34/39/748543439.db2.gz UBCWUPWJWGERTD-SJORKVTESA-N 1 3 355.320 2.769 20 0 FFADHO CCc1nc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000849101894 749050998 /nfs/dbraw/zinc/05/09/98/749050998.db2.gz VYGBCXWPGLNLAM-UHFFFAOYSA-N 1 3 357.527 2.984 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Br)cc1F ZINC000849101025 749051318 /nfs/dbraw/zinc/05/13/18/749051318.db2.gz VINITGKDFMNZEW-CQSZACIVSA-N 1 3 371.298 2.729 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000849113673 749055701 /nfs/dbraw/zinc/05/57/01/749055701.db2.gz ZLNVTCUXAHRYOE-SJLPKXTDSA-N 1 3 363.575 2.609 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](COC)c1ccc(Cl)cc1 ZINC000849114644 749056489 /nfs/dbraw/zinc/05/64/89/749056489.db2.gz PICQFWJFTMRXHT-DOTOQJQBSA-N 1 3 352.910 2.668 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccncc2Cl)C1 ZINC001104809733 970874105 /nfs/dbraw/zinc/87/41/05/970874105.db2.gz QAUUWLWMJDLDAW-NVXWUHKLSA-N 1 3 366.937 2.651 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001104811891 970893895 /nfs/dbraw/zinc/89/38/95/970893895.db2.gz IOWOFMTZMOZCJE-IAGOWNOFSA-N 1 3 351.560 2.707 20 0 FFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccc(F)cc2F)C1 ZINC001104872339 971065903 /nfs/dbraw/zinc/06/59/03/971065903.db2.gz BOCIZSIXWNAYBU-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccc(F)cc2F)C1 ZINC001104872339 971065909 /nfs/dbraw/zinc/06/59/09/971065909.db2.gz BOCIZSIXWNAYBU-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001087908993 971070827 /nfs/dbraw/zinc/07/08/27/971070827.db2.gz UZWHPEYNEHQFQA-HSTPFUQCSA-N 1 3 353.510 2.574 20 0 FFADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@@H]2C1 ZINC001087908993 971070839 /nfs/dbraw/zinc/07/08/39/971070839.db2.gz UZWHPEYNEHQFQA-HSTPFUQCSA-N 1 3 353.510 2.574 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC001104937524 971184239 /nfs/dbraw/zinc/18/42/39/971184239.db2.gz CMBCLDASJQTUIG-NVXWUHKLSA-N 1 3 367.484 2.881 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001105067015 971448631 /nfs/dbraw/zinc/44/86/31/971448631.db2.gz JBPACLPFZDMCJH-MISYRCLQSA-N 1 3 358.530 2.530 20 0 FFADHO CS[C@@H](C)CC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275854523 1013093205 /nfs/dbraw/zinc/09/32/05/1013093205.db2.gz SXZLPFNQYDIYCE-OXJNMPFZSA-N 1 3 361.555 2.680 20 0 FFADHO CS[C@@H](C)CC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001275854523 1013093214 /nfs/dbraw/zinc/09/32/14/1013093214.db2.gz SXZLPFNQYDIYCE-OXJNMPFZSA-N 1 3 361.555 2.680 20 0 FFADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000651477406 971664312 /nfs/dbraw/zinc/66/43/12/971664312.db2.gz IJSUJZSFJNWQKH-NXNFSMPISA-N 1 3 355.526 2.921 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087993287 971737151 /nfs/dbraw/zinc/73/71/51/971737151.db2.gz JEZGCVTWVICWCO-FSSWDIPSSA-N 1 3 369.553 2.924 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@H]3C2)c1 ZINC001087993287 971737157 /nfs/dbraw/zinc/73/71/57/971737157.db2.gz JEZGCVTWVICWCO-FSSWDIPSSA-N 1 3 369.553 2.924 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]2C1)C1CCC1 ZINC001087995223 971744985 /nfs/dbraw/zinc/74/49/85/971744985.db2.gz ZOPONYGMCSMYBP-RTWAWAEBSA-N 1 3 369.553 2.884 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2C1)C1CCC1 ZINC001087995223 971744991 /nfs/dbraw/zinc/74/49/91/971744991.db2.gz ZOPONYGMCSMYBP-RTWAWAEBSA-N 1 3 369.553 2.884 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000660567980 972248492 /nfs/dbraw/zinc/24/84/92/972248492.db2.gz NHNHLFLBDDZWGY-WOJBJXKFSA-N 1 3 372.557 2.723 20 0 FFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000660567980 972248496 /nfs/dbraw/zinc/24/84/96/972248496.db2.gz NHNHLFLBDDZWGY-WOJBJXKFSA-N 1 3 372.557 2.723 20 0 FFADHO C[NH2+]Cc1ccccc1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000652127852 972248669 /nfs/dbraw/zinc/24/86/69/972248669.db2.gz FLIMKILYTYUUQH-UHFFFAOYSA-N 1 3 366.509 2.654 20 0 FFADHO COCC1(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CCC1 ZINC000463097308 959508876 /nfs/dbraw/zinc/50/88/76/959508876.db2.gz GJNZBRSQEYMLBM-UHFFFAOYSA-N 1 3 361.530 2.566 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3cc(C)cc(C)c3)C2)CC[N@@H+]1C ZINC000969687412 959764983 /nfs/dbraw/zinc/76/49/83/959764983.db2.gz AOFFVCQHOIGZOG-DZFGPLHGSA-N 1 3 357.542 2.970 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3cc(C)cc(C)c3)C2)CC[N@H+]1C ZINC000969687412 959764998 /nfs/dbraw/zinc/76/49/98/959764998.db2.gz AOFFVCQHOIGZOG-DZFGPLHGSA-N 1 3 357.542 2.970 20 0 FFADHO COc1ncc(C[NH+]2CCC3(CN(CCCC(F)(F)F)C3)CC2)cn1 ZINC001279390640 960179086 /nfs/dbraw/zinc/17/90/86/960179086.db2.gz VTFXYAHYWNBLPR-UHFFFAOYSA-N 1 3 358.408 2.726 20 0 FFADHO OC1(C[NH2+][C@@H]2COc3ccccc3C2)CCN(Cc2ccccc2)CC1 ZINC000397492572 960712121 /nfs/dbraw/zinc/71/21/21/960712121.db2.gz LUKPHCWAYSIWLR-FQEVSTJZSA-N 1 3 352.478 2.607 20 0 FFADHO Cc1cc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc(N2CCN(C(C)C)CC2)c1 ZINC000655610648 960870988 /nfs/dbraw/zinc/87/09/88/960870988.db2.gz OUOIKJLBOZHWOD-IRLDBZIGSA-N 1 3 370.541 2.854 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C(F)F)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959974932 1013290990 /nfs/dbraw/zinc/29/09/90/1013290990.db2.gz RKCIZNQUZYCWJG-FUEZWAHWSA-N 1 3 363.452 2.511 20 0 FFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(C(F)F)cc4)C[C@H]32)CC[N@H+]1C ZINC000959974932 1013290998 /nfs/dbraw/zinc/29/09/98/1013290998.db2.gz RKCIZNQUZYCWJG-FUEZWAHWSA-N 1 3 363.452 2.511 20 0 FFADHO Cc1cc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1Br ZINC001137615902 1013352574 /nfs/dbraw/zinc/35/25/74/1013352574.db2.gz XWAAJSVLPMIXKO-ZWKOTPCHSA-N 1 3 366.347 2.968 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cc1 ZINC001095437960 1013371895 /nfs/dbraw/zinc/37/18/95/1013371895.db2.gz RAXDVRUQRDTBRO-WIGAVFHRSA-N 1 3 355.526 2.811 20 0 FFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)cc1 ZINC001095437960 1013371906 /nfs/dbraw/zinc/37/19/06/1013371906.db2.gz RAXDVRUQRDTBRO-WIGAVFHRSA-N 1 3 355.526 2.811 20 0 FFADHO Cc1nn(-c2ccccc2F)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000656261905 963017153 /nfs/dbraw/zinc/01/71/53/963017153.db2.gz MOTXTIJUOWDLMP-UHFFFAOYSA-N 1 3 373.520 2.778 20 0 FFADHO Cc1cc(F)ccc1CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960644058 1013436767 /nfs/dbraw/zinc/43/67/67/1013436767.db2.gz VBXAODHZENCUFU-NSISKUIASA-N 1 3 361.505 2.897 20 0 FFADHO Cc1cc(F)ccc1CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960644058 1013436771 /nfs/dbraw/zinc/43/67/71/1013436771.db2.gz VBXAODHZENCUFU-NSISKUIASA-N 1 3 361.505 2.897 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(F)ccc2F)C1)N(C)C ZINC001104347380 963699419 /nfs/dbraw/zinc/69/94/19/963699419.db2.gz XJRMGHIWBKZGSX-SPYBWZPUSA-N 1 3 367.484 2.879 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCOCC2)C1)N(C)C ZINC001104348339 963738256 /nfs/dbraw/zinc/73/82/56/963738256.db2.gz FFJYWDKXJGQREE-MISYRCLQSA-N 1 3 367.578 2.608 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cccs2)C1)N(C)C ZINC001104348875 963741110 /nfs/dbraw/zinc/74/11/10/963741110.db2.gz ZDGZAVVAJXKSFW-JFIYKMOQSA-N 1 3 351.560 2.705 20 0 FFADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242986 1013442745 /nfs/dbraw/zinc/44/27/45/1013442745.db2.gz HNKDNUCEDNLFMB-SFHVURJKSA-N 1 3 367.428 2.651 20 0 FFADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873243029 1013442923 /nfs/dbraw/zinc/44/29/23/1013442923.db2.gz IPJLFGUKDDTFOZ-QRWLVFNGSA-N 1 3 351.454 2.592 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC[C@H]2CCOC2)C1 ZINC001104362833 964084933 /nfs/dbraw/zinc/08/49/33/964084933.db2.gz MEQAVGFAVFRVGM-CEXWTWQISA-N 1 3 367.578 2.608 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001104363001 964090368 /nfs/dbraw/zinc/09/03/68/964090368.db2.gz UIFNAGVHDANJQL-ZIAGYGMSSA-N 1 3 351.457 2.743 20 0 FFADHO CCOC1CC(C[NH2+]CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@H]2C)C1 ZINC001104363006 964090513 /nfs/dbraw/zinc/09/05/13/964090513.db2.gz UPSKGIWKJXYLPH-TXQGORRRSA-N 1 3 367.578 2.606 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000664366469 964204504 /nfs/dbraw/zinc/20/45/04/964204504.db2.gz KSYBGFHSIMLGGG-HNAYVOBHSA-N 1 3 365.481 2.672 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Nc3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000664366469 964204519 /nfs/dbraw/zinc/20/45/19/964204519.db2.gz KSYBGFHSIMLGGG-HNAYVOBHSA-N 1 3 365.481 2.672 20 0 FFADHO CCN(C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664407354 964280825 /nfs/dbraw/zinc/28/08/25/964280825.db2.gz WRKKNDSCQVCPRW-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO CCN(C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664407354 964280834 /nfs/dbraw/zinc/28/08/34/964280834.db2.gz WRKKNDSCQVCPRW-RLLQIKCJSA-N 1 3 358.530 2.775 20 0 FFADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000664407698 964282890 /nfs/dbraw/zinc/28/28/90/964282890.db2.gz JZWOUTYQSWDFAM-MGPUTAFESA-N 1 3 365.481 2.529 20 0 FFADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000664407698 964282900 /nfs/dbraw/zinc/28/29/00/964282900.db2.gz JZWOUTYQSWDFAM-MGPUTAFESA-N 1 3 365.481 2.529 20 0 FFADHO CN1CCC[C@H]1CC[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC000933462539 964417294 /nfs/dbraw/zinc/41/72/94/964417294.db2.gz BJMFWUIUAZNPOA-KRWDZBQOSA-N 1 3 367.534 2.573 20 0 FFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000891534682 964440421 /nfs/dbraw/zinc/44/04/21/964440421.db2.gz OPILXKHRAQSRMX-VQTJNVASSA-N 1 3 360.546 2.533 20 0 FFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892020560 965825726 /nfs/dbraw/zinc/82/57/26/965825726.db2.gz YFYVDTPRHLSYFB-NRFANRHFSA-N 1 3 370.541 2.967 20 0 FFADHO Cc1cc2cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc2[nH]1 ZINC000664892772 965956663 /nfs/dbraw/zinc/95/66/63/965956663.db2.gz MISRQGPZXYLDLD-INIZCTEOSA-N 1 3 359.518 2.548 20 0 FFADHO Cc1cc2cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc2[nH]1 ZINC000664892772 965956674 /nfs/dbraw/zinc/95/66/74/965956674.db2.gz MISRQGPZXYLDLD-INIZCTEOSA-N 1 3 359.518 2.548 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3CC[NH3+])cc2)CC1 ZINC000653241105 966229872 /nfs/dbraw/zinc/22/98/72/966229872.db2.gz XWVGIERKZZASEB-WIYYLYMNSA-N 1 3 372.557 2.807 20 0 FFADHO O=c1[nH]c2ccccc2cc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596438 966941833 /nfs/dbraw/zinc/94/18/33/966941833.db2.gz WPRSOWKJGHMWPN-FQEVSTJZSA-N 1 3 363.461 2.797 20 0 FFADHO O=c1[nH]c2ccccc2cc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596438 966941837 /nfs/dbraw/zinc/94/18/37/966941837.db2.gz WPRSOWKJGHMWPN-FQEVSTJZSA-N 1 3 363.461 2.797 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657598070 966947937 /nfs/dbraw/zinc/94/79/37/966947937.db2.gz XUQGRWOQBMJXOE-FQEVSTJZSA-N 1 3 353.466 2.501 20 0 FFADHO CC(=O)Nc1ccccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657598070 966947943 /nfs/dbraw/zinc/94/79/43/966947943.db2.gz XUQGRWOQBMJXOE-FQEVSTJZSA-N 1 3 353.466 2.501 20 0 FFADHO O=C(c1ccco1)N1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001167991464 967129300 /nfs/dbraw/zinc/12/93/00/967129300.db2.gz AVQPRZAUZDZAAA-XEOGZFBHSA-N 1 3 369.509 2.831 20 0 FFADHO O=C(c1ccco1)N1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]21 ZINC001167991464 967129304 /nfs/dbraw/zinc/12/93/04/967129304.db2.gz AVQPRZAUZDZAAA-XEOGZFBHSA-N 1 3 369.509 2.831 20 0 FFADHO O=C(c1ccco1)N1CC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001167991464 967129311 /nfs/dbraw/zinc/12/93/11/967129311.db2.gz AVQPRZAUZDZAAA-XEOGZFBHSA-N 1 3 369.509 2.831 20 0 FFADHO O=C(c1ccco1)N1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001167991464 967129320 /nfs/dbraw/zinc/12/93/20/967129320.db2.gz AVQPRZAUZDZAAA-XEOGZFBHSA-N 1 3 369.509 2.831 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001168003033 967467791 /nfs/dbraw/zinc/46/77/91/967467791.db2.gz IVWICVXVFDPNRW-QRXAFDDPSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]21 ZINC001168003033 967467802 /nfs/dbraw/zinc/46/78/02/967467802.db2.gz IVWICVXVFDPNRW-QRXAFDDPSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168003033 967467812 /nfs/dbraw/zinc/46/78/12/967467812.db2.gz IVWICVXVFDPNRW-QRXAFDDPSA-N 1 3 361.530 2.943 20 0 FFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@H]21 ZINC001168003033 967467816 /nfs/dbraw/zinc/46/78/16/967467816.db2.gz IVWICVXVFDPNRW-QRXAFDDPSA-N 1 3 361.530 2.943 20 0 FFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000650724808 967607703 /nfs/dbraw/zinc/60/77/03/967607703.db2.gz MYIYXUHUPMNFAQ-QHAWAJNXSA-N 1 3 372.488 2.931 20 0 FFADHO COC(=O)CCCN1CCC(N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895110652 967647597 /nfs/dbraw/zinc/64/75/97/967647597.db2.gz SEGNIIFMTNQGSY-IYARVYRRSA-N 1 3 374.529 2.576 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001023377415 967755752 /nfs/dbraw/zinc/75/57/52/967755752.db2.gz LDNOYCBFPRFLGM-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO Cc1ccc(F)c(CN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001023377415 967755762 /nfs/dbraw/zinc/75/57/62/967755762.db2.gz LDNOYCBFPRFLGM-ZIFCJYIRSA-N 1 3 361.505 2.803 20 0 FFADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011545 967873570 /nfs/dbraw/zinc/87/35/70/967873570.db2.gz PJEDKJFZZDGXEB-RMFSNUHRSA-N 1 3 366.509 2.843 20 0 FFADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011545 967873589 /nfs/dbraw/zinc/87/35/89/967873589.db2.gz PJEDKJFZZDGXEB-RMFSNUHRSA-N 1 3 366.509 2.843 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CC5)cc4)C[C@H]32)CC[N@@H+]1C ZINC001075809139 967909429 /nfs/dbraw/zinc/90/94/29/967909429.db2.gz VHQRAEIKCLXJQI-IDZYALCFSA-N 1 3 367.537 2.937 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C5CC5)cc4)C[C@H]32)CC[N@H+]1C ZINC001075809139 967909438 /nfs/dbraw/zinc/90/94/38/967909438.db2.gz VHQRAEIKCLXJQI-IDZYALCFSA-N 1 3 367.537 2.937 20 0 FFADHO C[NH+](C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1)C1CC1 ZINC001211615860 968027265 /nfs/dbraw/zinc/02/72/65/968027265.db2.gz KCKKJQVYMDCPHM-DPNLJNEJSA-N 1 3 361.917 2.663 20 0 FFADHO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000657870004 968128802 /nfs/dbraw/zinc/12/88/02/968128802.db2.gz BPIZCIVBPRXEPD-QAPCUYQASA-N 1 3 357.477 2.960 20 0 FFADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000658144504 968551384 /nfs/dbraw/zinc/55/13/84/968551384.db2.gz MHSYNYDLXWHCKV-BEFAXECRSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000658144504 968551387 /nfs/dbraw/zinc/55/13/87/968551387.db2.gz MHSYNYDLXWHCKV-BEFAXECRSA-N 1 3 354.450 2.833 20 0 FFADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140779 968555817 /nfs/dbraw/zinc/55/58/17/968555817.db2.gz VGSJHWFOUCEZPS-RDTXWAMCSA-N 1 3 367.449 2.951 20 0 FFADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140779 968555821 /nfs/dbraw/zinc/55/58/21/968555821.db2.gz VGSJHWFOUCEZPS-RDTXWAMCSA-N 1 3 367.449 2.951 20 0 FFADHO CCN(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000892438984 968761291 /nfs/dbraw/zinc/76/12/91/968761291.db2.gz KDROYTYDOGMLCC-MISYRCLQSA-N 1 3 358.530 2.810 20 0 FFADHO CC(C)(C)OC(=O)N1CC(C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000895252149 968784391 /nfs/dbraw/zinc/78/43/91/968784391.db2.gz XTQCKQDMTQTQDK-UHFFFAOYSA-N 1 3 374.529 2.750 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892448507 968829127 /nfs/dbraw/zinc/82/91/27/968829127.db2.gz SWUNRTYAYRLAMV-CZIWCDLHSA-N 1 3 368.472 2.556 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC001024446368 968913426 /nfs/dbraw/zinc/91/34/26/968913426.db2.gz CCOBDMZAQYAHLJ-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC001024446368 968913432 /nfs/dbraw/zinc/91/34/32/968913432.db2.gz CCOBDMZAQYAHLJ-ZPMCFJSWSA-N 1 3 369.553 2.986 20 0 FFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)Cc1ccccc1 ZINC000874433426 1013836548 /nfs/dbraw/zinc/83/65/48/1013836548.db2.gz YEADNCYUIWNRCP-NQIIRXRSSA-N 1 3 360.546 2.566 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)CC2)CC1 ZINC000892522000 969351754 /nfs/dbraw/zinc/35/17/54/969351754.db2.gz MNTMLPYITUBGHT-FIBVWIARSA-N 1 3 374.573 2.623 20 0 FFADHO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659031692 969646442 /nfs/dbraw/zinc/64/64/42/969646442.db2.gz NTELJHAAXQTGGC-LJQANCHMSA-N 1 3 360.502 2.589 20 0 FFADHO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659036813 969654622 /nfs/dbraw/zinc/65/46/22/969654622.db2.gz FYBQXXAKORWLCW-LJQANCHMSA-N 1 3 372.469 2.536 20 0 FFADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659043300 969660060 /nfs/dbraw/zinc/66/00/60/969660060.db2.gz OHLLLSUFBXDIME-IBGZPJMESA-N 1 3 360.502 2.687 20 0 FFADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544268 969687672 /nfs/dbraw/zinc/68/76/72/969687672.db2.gz YWOCYLRPWJCEGA-LSDHHAIUSA-N 1 3 374.451 2.881 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000659445700 969936539 /nfs/dbraw/zinc/93/65/39/969936539.db2.gz SOFKFOSJTAFQHJ-YZGWKJHDSA-N 1 3 358.530 2.901 20 0 FFADHO Cc1nc(C(C)C)oc1CNCC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104622251 969944262 /nfs/dbraw/zinc/94/42/62/969944262.db2.gz UZLRCQJSBIUOAQ-NVXWUHKLSA-N 1 3 364.534 2.632 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001104676341 970084807 /nfs/dbraw/zinc/08/48/07/970084807.db2.gz FYNVVROJTGXZHI-ZIFCJYIRSA-N 1 3 361.505 2.884 20 0 FFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)sn1 ZINC001104676501 970085179 /nfs/dbraw/zinc/08/51/79/970085179.db2.gz NBZKYGQVFCTBMO-HYVNUMGLSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccncc2Cl)C1)N(C)C ZINC001104691231 970110072 /nfs/dbraw/zinc/11/00/72/970110072.db2.gz LUZZUYBVMDFSIR-KYJSFNMBSA-N 1 3 366.937 2.649 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cccs2)C1)N(C)C ZINC001104691935 970112074 /nfs/dbraw/zinc/11/20/74/970112074.db2.gz ZDGZAVVAJXKSFW-NUJGCVRESA-N 1 3 351.560 2.705 20 0 FFADHO Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729649 970182282 /nfs/dbraw/zinc/18/22/82/970182282.db2.gz YJOYVRCZFISWGW-NVXWUHKLSA-N 1 3 358.461 2.674 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001104732474 970188657 /nfs/dbraw/zinc/18/86/57/970188657.db2.gz WOUWCJVIUADMIN-CRAIPNDOSA-N 1 3 365.481 2.708 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H](C)c4cccc(OC)c4)C[C@H]32)CC[N@@H+]1C ZINC001025794917 970425880 /nfs/dbraw/zinc/42/58/80/970425880.db2.gz CZEWSYCFTNTVQO-BIXGXOFGSA-N 1 3 371.525 2.533 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H](C)c4cccc(OC)c4)C[C@H]32)CC[N@H+]1C ZINC001025794917 970425885 /nfs/dbraw/zinc/42/58/85/970425885.db2.gz CZEWSYCFTNTVQO-BIXGXOFGSA-N 1 3 371.525 2.533 20 0 FFADHO F[C@H]1CC2(CC[C@H]1[NH2+]CC1CCN(Cc3ccncc3)CC1)OCCO2 ZINC000895345962 970433967 /nfs/dbraw/zinc/43/39/67/970433967.db2.gz AXSYFMFYMBYQEF-RBUKOAKNSA-N 1 3 363.477 2.517 20 0 FFADHO C[C@@H]1CC([NH2+]C2CN(c3ccncn3)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168025469 970477216 /nfs/dbraw/zinc/47/72/16/970477216.db2.gz COLVRTQHOLFKSW-IAGOWNOFSA-N 1 3 351.498 2.696 20 0 FFADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000312737030 970517698 /nfs/dbraw/zinc/51/76/98/970517698.db2.gz XENKKJSFYKGBMF-HKUYNNGSSA-N 1 3 362.481 2.835 20 0 FFADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000312737030 970517707 /nfs/dbraw/zinc/51/77/07/970517707.db2.gz XENKKJSFYKGBMF-HKUYNNGSSA-N 1 3 362.481 2.835 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1)[NH+](C)C ZINC001088095336 972735880 /nfs/dbraw/zinc/73/58/80/972735880.db2.gz IAAWLORIQDFOIC-WSTZPKSXSA-N 1 3 361.505 2.692 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106368 972809202 /nfs/dbraw/zinc/80/92/02/972809202.db2.gz XNLPXVBEOFLJFR-QIJUGHKUSA-N 1 3 369.553 2.871 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106368 972809211 /nfs/dbraw/zinc/80/92/11/972809211.db2.gz XNLPXVBEOFLJFR-QIJUGHKUSA-N 1 3 369.553 2.871 20 0 FFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106683 972824225 /nfs/dbraw/zinc/82/42/25/972824225.db2.gz MEEMHVPQFDDHFI-FUHIMQAGSA-N 1 3 353.526 2.779 20 0 FFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106683 972824236 /nfs/dbraw/zinc/82/42/36/972824236.db2.gz MEEMHVPQFDDHFI-FUHIMQAGSA-N 1 3 353.526 2.779 20 0 FFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088129749 972976597 /nfs/dbraw/zinc/97/65/97/972976597.db2.gz DCGCBQQDCZNPMX-NKKSOYKNSA-N 1 3 353.938 2.782 20 0 FFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C/C=C/Cl)C[C@H]2C1 ZINC001088129749 972976605 /nfs/dbraw/zinc/97/66/05/972976605.db2.gz DCGCBQQDCZNPMX-NKKSOYKNSA-N 1 3 353.938 2.782 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC000660912908 973125804 /nfs/dbraw/zinc/12/58/04/973125804.db2.gz DLDAUQMCTXJFNM-MQFRRQCYSA-N 1 3 371.569 2.940 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC000660912908 973125808 /nfs/dbraw/zinc/12/58/08/973125808.db2.gz DLDAUQMCTXJFNM-MQFRRQCYSA-N 1 3 371.569 2.940 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC000660958569 973232543 /nfs/dbraw/zinc/23/25/43/973232543.db2.gz JJMZDAHWMJTZOU-NHCUHLMSSA-N 1 3 370.541 2.853 20 0 FFADHO CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001088166303 973279836 /nfs/dbraw/zinc/27/98/36/973279836.db2.gz USDZEVYIVDGFNG-HSALFYBXSA-N 1 3 365.537 2.637 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088211042 973665154 /nfs/dbraw/zinc/66/51/54/973665154.db2.gz NVFILCUJGDYPDT-QUCCMNQESA-N 1 3 355.526 2.942 20 0 FFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088211042 973665162 /nfs/dbraw/zinc/66/51/62/973665162.db2.gz NVFILCUJGDYPDT-QUCCMNQESA-N 1 3 355.526 2.942 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncc(C)c3)CC[C@@H]2C1 ZINC001088212888 973683026 /nfs/dbraw/zinc/68/30/26/973683026.db2.gz ZBNWLNVZDIXHIJ-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncc(C)c3)CC[C@@H]2C1 ZINC001088212888 973683029 /nfs/dbraw/zinc/68/30/29/973683029.db2.gz ZBNWLNVZDIXHIJ-QHAWAJNXSA-N 1 3 370.541 2.545 20 0 FFADHO [NH3+]C1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC2(CCC2)C1 ZINC000662788961 974076533 /nfs/dbraw/zinc/07/65/33/974076533.db2.gz QTSULQDHIZKPOJ-UHFFFAOYSA-N 1 3 355.526 2.815 20 0 FFADHO NC1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC2(CCC2)C1 ZINC000662788961 974076541 /nfs/dbraw/zinc/07/65/41/974076541.db2.gz QTSULQDHIZKPOJ-UHFFFAOYSA-N 1 3 355.526 2.815 20 0 FFADHO NC1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC2(CCC2)C1 ZINC000662788961 974076542 /nfs/dbraw/zinc/07/65/42/974076542.db2.gz QTSULQDHIZKPOJ-UHFFFAOYSA-N 1 3 355.526 2.815 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000665760703 974095036 /nfs/dbraw/zinc/09/50/36/974095036.db2.gz NOTZKEYUTCWDFI-HNNXBMFYSA-N 1 3 368.472 2.576 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000665760703 974095042 /nfs/dbraw/zinc/09/50/42/974095042.db2.gz NOTZKEYUTCWDFI-HNNXBMFYSA-N 1 3 368.472 2.576 20 0 FFADHO CN(CC[NH+]1CCCCC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000652989277 1014187920 /nfs/dbraw/zinc/18/79/20/1014187920.db2.gz ABFOHGLYOOJKJH-UHFFFAOYSA-N 1 3 372.557 2.533 20 0 FFADHO [NH3+]Cc1ccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)c(F)c1 ZINC000652280392 974769334 /nfs/dbraw/zinc/76/93/34/974769334.db2.gz JVXKTLRRKLNXSH-UHFFFAOYSA-N 1 3 362.493 2.692 20 0 FFADHO [NH3+]CCc1ccccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000653115251 1014231122 /nfs/dbraw/zinc/23/11/22/1014231122.db2.gz IJTCTFIPGHTWTN-UHFFFAOYSA-N 1 3 367.493 2.644 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)c(C)c2)CC1 ZINC000653124402 1014233411 /nfs/dbraw/zinc/23/34/11/1014233411.db2.gz XWFULMZDCJDVDK-UXHICEINSA-N 1 3 356.514 2.606 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000662152812 975268631 /nfs/dbraw/zinc/26/86/31/975268631.db2.gz HGLVNWQAEBGDPA-FQEVSTJZSA-N 1 3 358.530 2.711 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1 ZINC001112529886 975366235 /nfs/dbraw/zinc/36/62/35/975366235.db2.gz UAHSEYKYMGMLGJ-HBFSDRIKSA-N 1 3 353.526 2.829 20 0 FFADHO COc1ccc(-c2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)on2)cc1 ZINC000662274565 975395781 /nfs/dbraw/zinc/39/57/81/975395781.db2.gz WAMPOOGMORURNI-QUCCMNQESA-N 1 3 357.454 2.678 20 0 FFADHO C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000653194806 1014259123 /nfs/dbraw/zinc/25/91/23/1014259123.db2.gz YLCGIVCACOYPTN-HARLFGEKSA-N 1 3 369.553 2.917 20 0 FFADHO COc1cc(F)c(F)cc1CN1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279153873 975575790 /nfs/dbraw/zinc/57/57/90/975575790.db2.gz ZXFGYWLTVFHIBB-HXUWFJFHSA-N 1 3 367.484 2.823 20 0 FFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000666995261 975595990 /nfs/dbraw/zinc/59/59/90/975595990.db2.gz IQJJHMZGRHJYQV-GJZGRUSLSA-N 1 3 361.486 2.685 20 0 FFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000667005608 975615130 /nfs/dbraw/zinc/61/51/30/975615130.db2.gz UTAIYHMPOVGXFR-KURKYZTESA-N 1 3 369.513 2.803 20 0 FFADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466860 975977780 /nfs/dbraw/zinc/97/77/80/975977780.db2.gz ALSKGDJWRTWATJ-WIYYLYMNSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466860 975977790 /nfs/dbraw/zinc/97/77/90/975977790.db2.gz ALSKGDJWRTWATJ-WIYYLYMNSA-N 1 3 357.542 2.836 20 0 FFADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466860 975977795 /nfs/dbraw/zinc/97/77/95/975977795.db2.gz ALSKGDJWRTWATJ-WIYYLYMNSA-N 1 3 357.542 2.836 20 0 FFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001087430967 975995570 /nfs/dbraw/zinc/99/55/70/975995570.db2.gz SWJPKWKOTKPFGK-WOJBJXKFSA-N 1 3 355.526 2.857 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)[C@H]2C)cc1 ZINC001088770664 976076521 /nfs/dbraw/zinc/07/65/21/976076521.db2.gz YKWUXBIDNLXMKA-BVYCBKJFSA-N 1 3 369.553 2.991 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)[C@H]2C)cc1 ZINC001088770664 976076535 /nfs/dbraw/zinc/07/65/35/976076535.db2.gz YKWUXBIDNLXMKA-BVYCBKJFSA-N 1 3 369.553 2.991 20 0 FFADHO CC[NH+](CC)CCC[C@H](C)N1C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167835269 976405937 /nfs/dbraw/zinc/40/59/37/976405937.db2.gz QJWVLIZFOCHHPK-YESZJQIVSA-N 1 3 357.539 2.721 20 0 FFADHO CCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC)[C@H]1CCN(C)C1 ZINC000663621489 976475064 /nfs/dbraw/zinc/47/50/64/976475064.db2.gz DQKNKYKKLWMVTL-PMACEKPBSA-N 1 3 360.546 2.675 20 0 FFADHO CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000663696489 976865014 /nfs/dbraw/zinc/86/50/14/976865014.db2.gz QSEIFLSXDIGYLX-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC000663696489 976865040 /nfs/dbraw/zinc/86/50/40/976865040.db2.gz QSEIFLSXDIGYLX-IBGZPJMESA-N 1 3 358.530 2.559 20 0 FFADHO CCN(CC)[C@H](CNC(=O)/C=C\[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000876715970 1014360104 /nfs/dbraw/zinc/36/01/04/1014360104.db2.gz RTNWZFAYNXDIPB-JUFQSTKVSA-N 1 3 359.514 2.750 20 0 FFADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCCF)CC[C@@H]2c2ccccc2)CC1 ZINC001087436536 977017388 /nfs/dbraw/zinc/01/73/88/977017388.db2.gz WTDWMIBTCYJUCL-WOJBJXKFSA-N 1 3 361.505 2.662 20 0 FFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667791267 977044496 /nfs/dbraw/zinc/04/44/96/977044496.db2.gz JCUVKXIYKVGUQD-UHFFFAOYSA-N 1 3 367.497 2.891 20 0 FFADHO COc1cccc(OCC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000152216336 977790165 /nfs/dbraw/zinc/79/01/65/977790165.db2.gz AJLIRWUCELKEIS-QZTJIDSGSA-N 1 3 362.514 2.895 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001076085757 979094530 /nfs/dbraw/zinc/09/45/30/979094530.db2.gz ATURGMNESFPGTI-HBMCJLEFSA-N 1 3 359.558 2.974 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001076085757 979094533 /nfs/dbraw/zinc/09/45/33/979094533.db2.gz ATURGMNESFPGTI-HBMCJLEFSA-N 1 3 359.558 2.974 20 0 FFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001076418897 979477176 /nfs/dbraw/zinc/47/71/76/979477176.db2.gz VDIUMJCMRNMOOE-LEWJYISDSA-N 1 3 355.526 2.840 20 0 FFADHO CC1([NH3+])CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000648120750 979524912 /nfs/dbraw/zinc/52/49/12/979524912.db2.gz OUQOQEILXNTHAK-GOSISDBHSA-N 1 3 369.431 2.781 20 0 FFADHO C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)CCC[C@H]1C[NH3+] ZINC001205992605 1032098769 /nfs/dbraw/zinc/09/87/69/1032098769.db2.gz FUDIWAZNLFYFEJ-AAEUAGOBSA-N 1 3 355.276 2.985 20 0 FFADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904389772 980261501 /nfs/dbraw/zinc/26/15/01/980261501.db2.gz UQBUXLFGMXRPSG-IBGZPJMESA-N 1 3 354.498 2.819 20 0 FFADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc2ccccc21 ZINC000904473528 980283608 /nfs/dbraw/zinc/28/36/08/980283608.db2.gz RFNDULJNMGYWGE-HOTGVXAUSA-N 1 3 355.482 2.696 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904647835 980317577 /nfs/dbraw/zinc/31/75/77/980317577.db2.gz HDGHBHKZZKPNIT-OAHLLOKOSA-N 1 3 353.470 2.887 20 0 FFADHO O[C@H](CCC1(O)CCC1)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000905379005 980431185 /nfs/dbraw/zinc/43/11/85/980431185.db2.gz BCUTWNHSJCKVHO-NHCUHLMSSA-N 1 3 372.553 2.934 20 0 FFADHO Cc1cc(C)c(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000126299659 981188001 /nfs/dbraw/zinc/18/80/01/981188001.db2.gz VCVRYUWAKILDMO-UHFFFAOYSA-N 1 3 372.557 2.970 20 0 FFADHO O=C(NC[C@H]1CCCC[NH2+]1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237793546 982075888 /nfs/dbraw/zinc/07/58/88/982075888.db2.gz XPQKZONSWPGHKX-SJLPKXTDSA-N 1 3 369.431 2.699 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897545531 982117606 /nfs/dbraw/zinc/11/76/06/982117606.db2.gz PSXODZAMKNTSRK-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897545531 982117611 /nfs/dbraw/zinc/11/76/11/982117611.db2.gz PSXODZAMKNTSRK-KRWDZBQOSA-N 1 3 364.509 2.631 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1CCOc1ccccc1 ZINC001088653979 982197857 /nfs/dbraw/zinc/19/78/57/982197857.db2.gz ROKSASFNDCMTRC-QUCCMNQESA-N 1 3 371.525 2.520 20 0 FFADHO C[C@@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000650894682 1014856487 /nfs/dbraw/zinc/85/64/87/1014856487.db2.gz DQZSTFLJJLINKD-DYESRHJHSA-N 1 3 358.530 2.681 20 0 FFADHO c1ccc(CN2CC[C@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655765049 982725001 /nfs/dbraw/zinc/72/50/01/982725001.db2.gz XTQIVIMOYAKJAN-IFMALSPDSA-N 1 3 357.542 2.742 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000668899986 983916725 /nfs/dbraw/zinc/91/67/25/983916725.db2.gz ZCBMKRKPCTTXPH-PKOBYXMFSA-N 1 3 362.518 2.519 20 0 FFADHO O=C1N[C@H](c2ccccc2)C12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168379087 984354114 /nfs/dbraw/zinc/35/41/14/984354114.db2.gz CSTDJJMWRVMRIU-HXUWFJFHSA-N 1 3 353.510 2.814 20 0 FFADHO CC(C)OCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444650 984545446 /nfs/dbraw/zinc/54/54/46/984545446.db2.gz UAINIRKPFYQUGH-SVFBPWRDSA-N 1 3 367.578 2.749 20 0 FFADHO CC(C)OCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444650 984545451 /nfs/dbraw/zinc/54/54/51/984545451.db2.gz UAINIRKPFYQUGH-SVFBPWRDSA-N 1 3 367.578 2.749 20 0 FFADHO CCCCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533889 984642288 /nfs/dbraw/zinc/64/22/88/984642288.db2.gz LFUSXKIRHMTPOP-SFHLNBCPSA-N 1 3 367.578 2.750 20 0 FFADHO CCCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533889 984642290 /nfs/dbraw/zinc/64/22/90/984642290.db2.gz LFUSXKIRHMTPOP-SFHLNBCPSA-N 1 3 367.578 2.750 20 0 FFADHO C[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000669483544 984648400 /nfs/dbraw/zinc/64/84/00/984648400.db2.gz ARBVLCOBOSZBHT-YZGWKJHDSA-N 1 3 358.530 2.840 20 0 FFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669483628 984651754 /nfs/dbraw/zinc/65/17/54/984651754.db2.gz FFRDZBJUCZMPCV-WOJBJXKFSA-N 1 3 356.514 2.750 20 0 FFADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550437 984668731 /nfs/dbraw/zinc/66/87/31/984668731.db2.gz VJYKKTMGLUGVDS-NSISKUIASA-N 1 3 353.526 2.970 20 0 FFADHO CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550437 984668733 /nfs/dbraw/zinc/66/87/33/984668733.db2.gz VJYKKTMGLUGVDS-NSISKUIASA-N 1 3 353.526 2.970 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](C)OC)CC2 ZINC001107581656 984743232 /nfs/dbraw/zinc/74/32/32/984743232.db2.gz HVECOGCBCKEDBP-SFHLNBCPSA-N 1 3 367.578 2.894 20 0 FFADHO CCCCCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](C)OC)CC2 ZINC001107581656 984743235 /nfs/dbraw/zinc/74/32/35/984743235.db2.gz HVECOGCBCKEDBP-SFHLNBCPSA-N 1 3 367.578 2.894 20 0 FFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116098 984772912 /nfs/dbraw/zinc/77/29/12/984772912.db2.gz KBBVAKGMKSXBDL-HZPDHXFCSA-N 1 3 363.468 2.886 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669586750 984871539 /nfs/dbraw/zinc/87/15/39/984871539.db2.gz RYEAFISKOGIQCF-IEBWSBKVSA-N 1 3 362.518 2.518 20 0 FFADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669586751 984871680 /nfs/dbraw/zinc/87/16/80/984871680.db2.gz RYEAFISKOGIQCF-MJGOQNOKSA-N 1 3 362.518 2.518 20 0 FFADHO [NH3+]CC[C@H]1CN(c2cncc(OCCN3CCCC3)n2)c2ccccc21 ZINC001168543329 985186826 /nfs/dbraw/zinc/18/68/26/985186826.db2.gz AGNQLDNWYTXQRY-INIZCTEOSA-N 1 3 353.470 2.535 20 0 FFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765758981 985511206 /nfs/dbraw/zinc/51/12/06/985511206.db2.gz RUYMCBJPXZFFGS-MOPGFXCFSA-N 1 3 355.530 2.797 20 0 FFADHO C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382728014 986889898 /nfs/dbraw/zinc/88/98/98/986889898.db2.gz WMWRGOYGGLRHAJ-QAPCUYQASA-N 1 3 369.431 2.651 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2O1 ZINC000921980020 987432446 /nfs/dbraw/zinc/43/24/46/987432446.db2.gz IGFOEOFESOIJHS-IERDGZPVSA-N 1 3 352.478 2.866 20 0 FFADHO C[C@@H]1Cc2cc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2O1 ZINC000921980020 987432448 /nfs/dbraw/zinc/43/24/48/987432448.db2.gz IGFOEOFESOIJHS-IERDGZPVSA-N 1 3 352.478 2.866 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC001106339461 987982285 /nfs/dbraw/zinc/98/22/85/987982285.db2.gz NGCPGIPZMRAMKQ-DNVCBOLYSA-N 1 3 360.546 2.613 20 0 FFADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651750548 1015352953 /nfs/dbraw/zinc/35/29/53/1015352953.db2.gz MUZHPDIKLQSJOK-UHFFFAOYSA-N 1 3 355.530 2.606 20 0 FFADHO CCN1CCN(CC(C)(C)[NH2+]Cc2nc(C(C)C)n3ccccc23)CC1 ZINC000651825327 1015374028 /nfs/dbraw/zinc/37/40/28/1015374028.db2.gz LCVFRSOFAQFIKP-UHFFFAOYSA-N 1 3 357.546 2.963 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C)C1 ZINC001106775492 989019020 /nfs/dbraw/zinc/01/90/20/989019020.db2.gz KPLITLDVNQNYGL-UYAOXDASSA-N 1 3 360.546 2.778 20 0 FFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnoc2C)[C@H](C)C1 ZINC001106775536 989019128 /nfs/dbraw/zinc/01/91/28/989019128.db2.gz NMZJVNDORZFKAA-VQIMIIECSA-N 1 3 364.534 2.679 20 0 FFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC001106785195 989064094 /nfs/dbraw/zinc/06/40/94/989064094.db2.gz ZRCUQLWPYCPOQW-RBSFLKMASA-N 1 3 364.361 2.596 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000673769592 989254078 /nfs/dbraw/zinc/25/40/78/989254078.db2.gz BCRMUYXTKGYQKG-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000673769592 989254087 /nfs/dbraw/zinc/25/40/87/989254087.db2.gz BCRMUYXTKGYQKG-HMXCVIKNSA-N 1 3 370.541 2.919 20 0 FFADHO O=c1ccccn1CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000673857197 989329766 /nfs/dbraw/zinc/32/97/66/989329766.db2.gz JTYFTPQYPWXYRM-JOCHJYFZSA-N 1 3 351.494 2.836 20 0 FFADHO O=c1ccccn1CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000673857197 989329773 /nfs/dbraw/zinc/32/97/73/989329773.db2.gz JTYFTPQYPWXYRM-JOCHJYFZSA-N 1 3 351.494 2.836 20 0 FFADHO CC(CN1CCC(c2c[nH]cn2)CC1)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000674372900 989681448 /nfs/dbraw/zinc/68/14/48/989681448.db2.gz FVQKTBQPIOTQJB-UHFFFAOYSA-N 1 3 356.518 2.828 20 0 FFADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140775 989913003 /nfs/dbraw/zinc/91/30/03/989913003.db2.gz VGSJHWFOUCEZPS-KBXCAEBGSA-N 1 3 367.449 2.951 20 0 FFADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140775 989913008 /nfs/dbraw/zinc/91/30/08/989913008.db2.gz VGSJHWFOUCEZPS-KBXCAEBGSA-N 1 3 367.449 2.951 20 0 FFADHO C[C@@]12CN(C(=O)c3cccc4c3CNC4)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702047743 989915633 /nfs/dbraw/zinc/91/56/33/989915633.db2.gz CTVJFZFVYZCUPM-WMZHIEFXSA-N 1 3 361.489 2.884 20 0 FFADHO C[C@@]12CN(C(=O)c3cccc4c3CNC4)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702047743 989915637 /nfs/dbraw/zinc/91/56/37/989915637.db2.gz CTVJFZFVYZCUPM-WMZHIEFXSA-N 1 3 361.489 2.884 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675120603 990058727 /nfs/dbraw/zinc/05/87/27/990058727.db2.gz JVAUUZBOGHHEMQ-PXNSSMCTSA-N 1 3 362.562 2.767 20 0 FFADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000652424244 1015560696 /nfs/dbraw/zinc/56/06/96/1015560696.db2.gz WOAQEZVHJGNCQK-OALUTQOASA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](CCN1CCC[C@@H](c2cc[nH]n2)C1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000676250809 990526405 /nfs/dbraw/zinc/52/64/05/990526405.db2.gz WHCPKZJZKJJRTQ-KZNAEPCWSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CCN1CCC[C@@H](c2cc[nH]n2)C1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000676250809 990526412 /nfs/dbraw/zinc/52/64/12/990526412.db2.gz WHCPKZJZKJJRTQ-KZNAEPCWSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000676250809 990526422 /nfs/dbraw/zinc/52/64/22/990526422.db2.gz WHCPKZJZKJJRTQ-KZNAEPCWSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@H](CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000676250809 990526431 /nfs/dbraw/zinc/52/64/31/990526431.db2.gz WHCPKZJZKJJRTQ-KZNAEPCWSA-N 1 3 356.518 2.970 20 0 FFADHO C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000676647426 990628563 /nfs/dbraw/zinc/62/85/63/990628563.db2.gz AOMVMLQVMPGDKH-IAGOWNOFSA-N 1 3 373.545 2.637 20 0 FFADHO O=C(CN1CC[C@@H]2CSC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000879560586 1015587345 /nfs/dbraw/zinc/58/73/45/1015587345.db2.gz XUIGAHPXTKPVTH-WOJBJXKFSA-N 1 3 373.566 2.584 20 0 FFADHO CCOC(=O)c1oc2ccccc2c1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449880 991154984 /nfs/dbraw/zinc/15/49/84/991154984.db2.gz CZNBZEJVLMLBJR-HNNXBMFYSA-N 1 3 372.465 2.939 20 0 FFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cccc(C(=O)N3CCCCC3)c1)CC2 ZINC000923450314 991155111 /nfs/dbraw/zinc/15/51/11/991155111.db2.gz VBVHFTZZVNRPRG-HXUWFJFHSA-N 1 3 371.525 2.643 20 0 FFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106905280 991295817 /nfs/dbraw/zinc/29/58/17/991295817.db2.gz ILMYAUOYBAXQEI-RNRBBCFGSA-N 1 3 350.334 2.721 20 0 FFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNC/C(Cl)=C\Cl)[C@H](C)C1 ZINC001106905280 991295822 /nfs/dbraw/zinc/29/58/22/991295822.db2.gz ILMYAUOYBAXQEI-RNRBBCFGSA-N 1 3 350.334 2.721 20 0 FFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001079159204 991862415 /nfs/dbraw/zinc/86/24/15/991862415.db2.gz OSAMJCZGGSTMMO-ZYSHUDEJSA-N 1 3 365.468 2.554 20 0 FFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCCF)C1 ZINC001079159204 991862427 /nfs/dbraw/zinc/86/24/27/991862427.db2.gz OSAMJCZGGSTMMO-ZYSHUDEJSA-N 1 3 365.468 2.554 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCc3ccccc3F)C[C@H]2C)CC[N@@H+]1C ZINC001079732820 992371689 /nfs/dbraw/zinc/37/16/89/992371689.db2.gz UTQUQLINOGJHDD-MCYKXBRJSA-N 1 3 361.505 2.535 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCc3ccccc3F)C[C@H]2C)CC[N@H+]1C ZINC001079732820 992371696 /nfs/dbraw/zinc/37/16/96/992371696.db2.gz UTQUQLINOGJHDD-MCYKXBRJSA-N 1 3 361.505 2.535 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001079805542 992457450 /nfs/dbraw/zinc/45/74/50/992457450.db2.gz VEQBIAPCQTYPTH-NRSPTQNISA-N 1 3 357.542 2.848 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001079805542 992457457 /nfs/dbraw/zinc/45/74/57/992457457.db2.gz VEQBIAPCQTYPTH-NRSPTQNISA-N 1 3 357.542 2.848 20 0 FFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1csc(CCc2ccccc2)n1 ZINC000081525443 992961396 /nfs/dbraw/zinc/96/13/96/992961396.db2.gz MOZSZMPSVCESRO-GOSISDBHSA-N 1 3 371.554 2.817 20 0 FFADHO C[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383476 993002333 /nfs/dbraw/zinc/00/23/33/993002333.db2.gz GCBMBHUXAMAUMM-XMCHAPAWSA-N 1 3 359.489 2.591 20 0 FFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001107028483 993214945 /nfs/dbraw/zinc/21/49/45/993214945.db2.gz ABVDJEWVLRWXQG-RHSMWYFYSA-N 1 3 371.447 2.998 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC001107040909 993294623 /nfs/dbraw/zinc/29/46/23/993294623.db2.gz SLOKJZYFIKOOQN-BRWVUGGUSA-N 1 3 359.505 2.836 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)[C@H](C)C1 ZINC001107042245 993296585 /nfs/dbraw/zinc/29/65/85/993296585.db2.gz CDVJZVLVLLTVJN-WRWLIDTKSA-N 1 3 361.505 2.837 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783074 993336416 /nfs/dbraw/zinc/33/64/16/993336416.db2.gz JKGJXUOMMJMKNR-WSTZPKSXSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@@H]1CN(CCOC2CCCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783074 993336420 /nfs/dbraw/zinc/33/64/20/993336420.db2.gz JKGJXUOMMJMKNR-WSTZPKSXSA-N 1 3 365.562 2.504 20 0 FFADHO CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1c1ccccc1 ZINC001081229937 993768398 /nfs/dbraw/zinc/76/83/98/993768398.db2.gz HPWLZPFQROCQNB-LEWJYISDSA-N 1 3 351.494 2.966 20 0 FFADHO O[C@@H]1c2ccccc2OC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000808452632 994122283 /nfs/dbraw/zinc/12/22/83/994122283.db2.gz NAKASNSSIODSPY-IFMALSPDSA-N 1 3 368.477 2.745 20 0 FFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001131464414 994279371 /nfs/dbraw/zinc/27/93/71/994279371.db2.gz PZISVBPXZNUKGX-QYZOEREBSA-N 1 3 365.562 2.503 20 0 FFADHO Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C)c1 ZINC001082511640 994758288 /nfs/dbraw/zinc/75/82/88/994758288.db2.gz HZPYASBNNRHPMN-IEBWSBKVSA-N 1 3 358.530 2.591 20 0 FFADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441797 1015894535 /nfs/dbraw/zinc/89/45/35/1015894535.db2.gz BBOSJABOOVKPMU-NUJGCVRESA-N 1 3 355.486 2.543 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)C1)N(C)C ZINC001082589205 995001835 /nfs/dbraw/zinc/00/18/35/995001835.db2.gz OGOFUJHLOPCIAH-KBRIMQKVSA-N 1 3 367.921 2.625 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1NCc1cncs1 ZINC001082608236 995056230 /nfs/dbraw/zinc/05/62/30/995056230.db2.gz NYQCBLDXZFZOEW-RHSMWYFYSA-N 1 3 364.559 2.733 20 0 FFADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1NCc1cncs1 ZINC001082608236 995056235 /nfs/dbraw/zinc/05/62/35/995056235.db2.gz NYQCBLDXZFZOEW-RHSMWYFYSA-N 1 3 364.559 2.733 20 0 FFADHO Cc1cccnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086695651 995145496 /nfs/dbraw/zinc/14/54/96/995145496.db2.gz ZWGZIYVMNDWCJC-NSHGMRRFSA-N 1 3 358.530 2.637 20 0 FFADHO CN1CCC(NC(=S)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000811717909 995227235 /nfs/dbraw/zinc/22/72/35/995227235.db2.gz BLFGMDYJAOCBHZ-LJQANCHMSA-N 1 3 374.598 2.847 20 0 FFADHO CN1CCC(NC(=S)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000811717909 995227242 /nfs/dbraw/zinc/22/72/42/995227242.db2.gz BLFGMDYJAOCBHZ-LJQANCHMSA-N 1 3 374.598 2.847 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCc1ccc(F)cc1F ZINC001082705449 995309599 /nfs/dbraw/zinc/30/95/99/995309599.db2.gz DRCAESCMGJQNOD-MMMWYMCRSA-N 1 3 365.468 2.632 20 0 FFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCc1ccc(F)cc1F ZINC001082705449 995309605 /nfs/dbraw/zinc/30/96/05/995309605.db2.gz DRCAESCMGJQNOD-MMMWYMCRSA-N 1 3 365.468 2.632 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1)N(C)C ZINC001082748566 995322544 /nfs/dbraw/zinc/32/25/44/995322544.db2.gz RGIKCOIVJUWMLE-XYPHTWIQSA-N 1 3 371.447 2.982 20 0 FFADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1cc(Cl)ccc1F ZINC001082719642 995349732 /nfs/dbraw/zinc/34/97/32/995349732.db2.gz ZCJIVHHXRMPQHX-FZKQIMNGSA-N 1 3 367.896 2.757 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001082743955 995402654 /nfs/dbraw/zinc/40/26/54/995402654.db2.gz KZEMCUACFXBODM-IXDOHACOSA-N 1 3 371.516 2.980 20 0 FFADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001082767105 995451560 /nfs/dbraw/zinc/45/15/60/995451560.db2.gz UUQOZAMEIBSUJM-OXQOHEQNSA-N 1 3 354.498 2.787 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001082766891 995451686 /nfs/dbraw/zinc/45/16/86/995451686.db2.gz GYGMZQVMGZPQAU-OXFYSEKESA-N 1 3 352.482 2.509 20 0 FFADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C)sn1 ZINC001082783030 995489503 /nfs/dbraw/zinc/48/95/03/995489503.db2.gz WZOMTECHNUPXBW-QGPMSJSTSA-N 1 3 364.559 2.653 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2sc(C)nc2C)C1 ZINC001082943610 995881655 /nfs/dbraw/zinc/88/16/55/995881655.db2.gz RTTHFUZQFOEUIB-KBRIMQKVSA-N 1 3 364.559 2.571 20 0 FFADHO Cc1ccc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C(C)C)[C@@H]3C2)cc1 ZINC001084339984 996469193 /nfs/dbraw/zinc/46/91/93/996469193.db2.gz OVRXMDXCLMNSGB-YPAWHYETSA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCCN4C(C)C)[C@@H]3C2)cc1 ZINC001084339984 996469196 /nfs/dbraw/zinc/46/91/96/996469196.db2.gz OVRXMDXCLMNSGB-YPAWHYETSA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CCN2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C(C)C)[C@@H]3C2)cc1 ZINC001084339984 996469199 /nfs/dbraw/zinc/46/91/99/996469199.db2.gz OVRXMDXCLMNSGB-YPAWHYETSA-N 1 3 369.553 2.943 20 0 FFADHO Cc1ccc(CCN2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C(C)C)[C@@H]3C2)cc1 ZINC001084339984 996469201 /nfs/dbraw/zinc/46/92/01/996469201.db2.gz OVRXMDXCLMNSGB-YPAWHYETSA-N 1 3 369.553 2.943 20 0 FFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001084406419 996550040 /nfs/dbraw/zinc/55/00/40/996550040.db2.gz PFJUJCVBGGTBHM-NJDAHSKKSA-N 1 3 355.526 2.622 20 0 FFADHO CCc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)[C@@H]2C1 ZINC001084406419 996550043 /nfs/dbraw/zinc/55/00/43/996550043.db2.gz PFJUJCVBGGTBHM-NJDAHSKKSA-N 1 3 355.526 2.622 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)[C@@H](C)C4)[C@@H]3C2)c1 ZINC001084609033 996723182 /nfs/dbraw/zinc/72/31/82/996723182.db2.gz SGBBNMDXZWLRAK-MJUUVYJYSA-N 1 3 355.526 2.758 20 0 FFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)[C@@H](C)C4)[C@@H]3C2)c1 ZINC001084609033 996723188 /nfs/dbraw/zinc/72/31/88/996723188.db2.gz SGBBNMDXZWLRAK-MJUUVYJYSA-N 1 3 355.526 2.758 20 0 FFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)cc1 ZINC001084630661 996736608 /nfs/dbraw/zinc/73/66/08/996736608.db2.gz PDQKCCFBNWROHY-NHCUHLMSSA-N 1 3 355.526 2.624 20 0 FFADHO CCOC(=O)N1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000824187142 996809648 /nfs/dbraw/zinc/80/96/48/996809648.db2.gz DDXKYMSVMYXBII-XLIONFOSSA-N 1 3 359.514 2.902 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](CN2CCOC2=O)C1 ZINC000824451331 996942295 /nfs/dbraw/zinc/94/22/95/996942295.db2.gz SRVCCPXUOHBGNB-LJQANCHMSA-N 1 3 359.514 2.919 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](CN2CCOC2=O)C1 ZINC000824451331 996942311 /nfs/dbraw/zinc/94/23/11/996942311.db2.gz SRVCCPXUOHBGNB-LJQANCHMSA-N 1 3 359.514 2.919 20 0 FFADHO C[C@@H](C(=O)N1C[C@H]2CCN(CC3CC(F)(F)C3)C[C@H]21)[NH+]1CCCCCC1 ZINC001084700802 996979942 /nfs/dbraw/zinc/97/99/42/996979942.db2.gz AYXLSBCSZLKZSW-CGTJXYLNSA-N 1 3 369.500 2.829 20 0 FFADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000677241278 1016135182 /nfs/dbraw/zinc/13/51/82/1016135182.db2.gz OYRCNBRBLBHMSO-WDSOQIARSA-N 1 3 360.521 2.855 20 0 FFADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000677241278 1016135190 /nfs/dbraw/zinc/13/51/90/1016135190.db2.gz OYRCNBRBLBHMSO-WDSOQIARSA-N 1 3 360.521 2.855 20 0 FFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(CCc3ccccc3)C[C@H]21)[NH+]1CCCC1 ZINC001084853112 997666529 /nfs/dbraw/zinc/66/65/29/997666529.db2.gz IKWNASGSSZPITB-VSKRKVRLSA-N 1 3 369.553 2.882 20 0 FFADHO Cc1ccc(C(=O)C2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c(C)c1 ZINC000903722272 1016154372 /nfs/dbraw/zinc/15/43/72/1016154372.db2.gz JYWPZKQTXDNQMP-KNQAVFIVSA-N 1 3 356.510 2.967 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CCN(CCC(F)(F)F)[C@H]3C2)CC[N@@H+]1C ZINC001085016736 998682081 /nfs/dbraw/zinc/68/20/81/998682081.db2.gz JEGCOYZISVQHEQ-FZKCQIBNSA-N 1 3 361.452 2.592 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CCN(CCC(F)(F)F)[C@H]3C2)CC[N@H+]1C ZINC001085016736 998682085 /nfs/dbraw/zinc/68/20/85/998682085.db2.gz JEGCOYZISVQHEQ-FZKCQIBNSA-N 1 3 361.452 2.592 20 0 FFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4ccc(F)cc4)[C@H]3C2)CC1 ZINC001085022344 998696684 /nfs/dbraw/zinc/69/66/84/998696684.db2.gz XNDQROUZLJBVJT-XLIONFOSSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CC[N@H+](C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085032386 998730697 /nfs/dbraw/zinc/73/06/97/998730697.db2.gz DMAGDMKKSOSCNV-MRKDRPIQSA-N 1 3 367.537 2.964 20 0 FFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](C/C=C\c4ccccc4)[C@H]3C2)C1 ZINC001085032386 998730698 /nfs/dbraw/zinc/73/06/98/998730698.db2.gz DMAGDMKKSOSCNV-MRKDRPIQSA-N 1 3 367.537 2.964 20 0 FFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001085076248 998868164 /nfs/dbraw/zinc/86/81/64/998868164.db2.gz UENHKDPGOBKAIA-XLIONFOSSA-N 1 3 371.500 2.653 20 0 FFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cc5ccccc5o4)[C@H]3C2)C1 ZINC001085092509 998922768 /nfs/dbraw/zinc/92/27/68/998922768.db2.gz BSJOJQUMMQMWJY-POAQFYNOSA-N 1 3 367.493 2.807 20 0 FFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(Cc4cc5ccccc5o4)[C@H]3C2)C1 ZINC001085092509 998922771 /nfs/dbraw/zinc/92/27/71/998922771.db2.gz BSJOJQUMMQMWJY-POAQFYNOSA-N 1 3 367.493 2.807 20 0 FFADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000733333566 998965419 /nfs/dbraw/zinc/96/54/19/998965419.db2.gz QSZUHMSKQCAAOV-LJQANCHMSA-N 1 3 360.502 2.513 20 0 FFADHO COc1cccc(C2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)c1 ZINC000903888883 1016289016 /nfs/dbraw/zinc/28/90/16/1016289016.db2.gz MEKADQZXDODHSJ-QGZVFWFLSA-N 1 3 356.514 2.734 20 0 FFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCO1)N1CCCCC1 ZINC001085198955 999150647 /nfs/dbraw/zinc/15/06/47/999150647.db2.gz QRMWXZLEQCFLCJ-GUDVDZBRSA-N 1 3 365.562 2.837 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C ZINC001085217669 999184889 /nfs/dbraw/zinc/18/48/89/999184889.db2.gz LICHXDGDFSCYDL-GGPKGHCWSA-N 1 3 358.530 2.781 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085225274 999194903 /nfs/dbraw/zinc/19/49/03/999194903.db2.gz PFIVNIAUCPZQCH-XUVXKRRUSA-N 1 3 358.530 2.862 20 0 FFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001085225274 999194905 /nfs/dbraw/zinc/19/49/05/999194905.db2.gz PFIVNIAUCPZQCH-XUVXKRRUSA-N 1 3 358.530 2.862 20 0 FFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC001085331304 999375265 /nfs/dbraw/zinc/37/52/65/999375265.db2.gz DOWQBEUTFMPAJI-GDIGMMSISA-N 1 3 365.468 2.966 20 0 FFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2F)C1 ZINC001085332800 999378843 /nfs/dbraw/zinc/37/88/43/999378843.db2.gz MZSMGHCFYHPSTO-NIKGAXFTSA-N 1 3 365.468 2.824 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001085405870 999464955 /nfs/dbraw/zinc/46/49/55/999464955.db2.gz BUVQRUPNBKZHBT-GUDVDZBRSA-N 1 3 352.482 2.965 20 0 FFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001085406664 999473287 /nfs/dbraw/zinc/47/32/87/999473287.db2.gz QSUHMNPZMZLWBM-RRFJBIMHSA-N 1 3 354.445 2.713 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001085432400 999516587 /nfs/dbraw/zinc/51/65/87/999516587.db2.gz WJPAGGOAGCZWAX-WOJBJXKFSA-N 1 3 370.497 2.875 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000741487336 999729445 /nfs/dbraw/zinc/72/94/45/999729445.db2.gz KBNUHWKSUXZYLB-PXNSSMCTSA-N 1 3 374.598 2.940 20 0 FFADHO C[C@H]1C[C@@H](N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000741487336 999729447 /nfs/dbraw/zinc/72/94/47/999729447.db2.gz KBNUHWKSUXZYLB-PXNSSMCTSA-N 1 3 374.598 2.940 20 0 FFADHO Cn1cc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)s2)cn1 ZINC000903980029 1016355187 /nfs/dbraw/zinc/35/51/87/1016355187.db2.gz CZNSCGCDBOFESU-HDICACEKSA-N 1 3 371.554 2.549 20 0 FFADHO C[N@@H+](Cc1ccc(OCC(N)=O)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000743872885 999834995 /nfs/dbraw/zinc/83/49/95/999834995.db2.gz DRQNMCNNXDWLQV-FQEVSTJZSA-N 1 3 367.493 2.505 20 0 FFADHO C[N@H+](Cc1ccc(OCC(N)=O)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000743872885 999834996 /nfs/dbraw/zinc/83/49/96/999834996.db2.gz DRQNMCNNXDWLQV-FQEVSTJZSA-N 1 3 367.493 2.505 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746397536 999985772 /nfs/dbraw/zinc/98/57/72/999985772.db2.gz MTHJHGYMLRSTPV-WOJBJXKFSA-N 1 3 374.598 2.942 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746397536 999985774 /nfs/dbraw/zinc/98/57/74/999985774.db2.gz MTHJHGYMLRSTPV-WOJBJXKFSA-N 1 3 374.598 2.942 20 0 FFADHO COc1ccc(CN2CC[C@@H](N[C@H]3CC[N@H+](CC(C)C)C3)CC2=O)cc1 ZINC001168914164 1000008677 /nfs/dbraw/zinc/00/86/77/1000008677.db2.gz JDGFNFSHRPYRKC-MOPGFXCFSA-N 1 3 359.514 2.506 20 0 FFADHO COc1ccc(CN2CC[C@@H](N[C@H]3CC[N@@H+](CC(C)C)C3)CC2=O)cc1 ZINC001168914164 1000008678 /nfs/dbraw/zinc/00/86/78/1000008678.db2.gz JDGFNFSHRPYRKC-MOPGFXCFSA-N 1 3 359.514 2.506 20 0 FFADHO C[NH+]1C[C@]2(C)CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C[C@@]2(C)C1 ZINC001168933471 1000009888 /nfs/dbraw/zinc/00/98/88/1000009888.db2.gz YEKHPNDIXPMEEA-VLCRHTCISA-N 1 3 373.516 2.838 20 0 FFADHO COC(=O)c1ccc(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC001169108529 1000025767 /nfs/dbraw/zinc/02/57/67/1000025767.db2.gz AQUAALVHOGNALD-WKCHPHFGSA-N 1 3 371.525 2.652 20 0 FFADHO NCc1ccc2c(n1)N(c1ccc(COC3CC[NH2+]CC3)cc1)CCC2 ZINC001169590597 1000060282 /nfs/dbraw/zinc/06/02/82/1000060282.db2.gz KONLWFBWLFJSOU-UHFFFAOYSA-N 1 3 352.482 2.893 20 0 FFADHO CN(CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccncc1 ZINC000846175337 1000221704 /nfs/dbraw/zinc/22/17/04/1000221704.db2.gz UITYUECZBBKHIK-FQEVSTJZSA-N 1 3 364.509 2.574 20 0 FFADHO CN(CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)Cc1ccncc1 ZINC000846175337 1000221714 /nfs/dbraw/zinc/22/17/14/1000221714.db2.gz UITYUECZBBKHIK-FQEVSTJZSA-N 1 3 364.509 2.574 20 0 FFADHO COc1ccc2c(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cc(=O)oc2c1 ZINC000846226995 1000236281 /nfs/dbraw/zinc/23/62/81/1000236281.db2.gz GCPYPZVBULJBRG-CVAIRZPRSA-N 1 3 372.465 2.662 20 0 FFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)C2 ZINC001109398219 1000377888 /nfs/dbraw/zinc/37/78/88/1000377888.db2.gz UAJJFLUJSDBGGL-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)C2 ZINC001109398219 1000377889 /nfs/dbraw/zinc/37/78/89/1000377889.db2.gz UAJJFLUJSDBGGL-FYQPLNBISA-N 1 3 363.546 2.542 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471933 1000529058 /nfs/dbraw/zinc/52/90/58/1000529058.db2.gz PHRNVHKQLBRCER-QYZOEREBSA-N 1 3 365.562 2.786 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471933 1000529065 /nfs/dbraw/zinc/52/90/65/1000529065.db2.gz PHRNVHKQLBRCER-QYZOEREBSA-N 1 3 365.562 2.786 20 0 FFADHO C[C@@H](F)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560923 1000638539 /nfs/dbraw/zinc/63/85/39/1000638539.db2.gz XXVZOZUZWXFMEC-BDXSIMOUSA-N 1 3 353.526 2.968 20 0 FFADHO CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001109553539 1000640237 /nfs/dbraw/zinc/64/02/37/1000640237.db2.gz JOJVMRHTCFTQDM-GIVPXCGWSA-N 1 3 373.541 2.551 20 0 FFADHO Cc1ccc(C)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1 ZINC001109649152 1000777101 /nfs/dbraw/zinc/77/71/01/1000777101.db2.gz VJUQPGHJCVHJNU-AABGKKOBSA-N 1 3 355.526 2.867 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001091715508 1001132144 /nfs/dbraw/zinc/13/21/44/1001132144.db2.gz AGWCDLZKWSPMJK-XPNTWCBSSA-N 1 3 369.553 2.884 20 0 FFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccccc3)C[C@@]2(C)C1 ZINC001091715508 1001132145 /nfs/dbraw/zinc/13/21/45/1001132145.db2.gz AGWCDLZKWSPMJK-XPNTWCBSSA-N 1 3 369.553 2.884 20 0 FFADHO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cs1 ZINC001091738290 1001183488 /nfs/dbraw/zinc/18/34/88/1001183488.db2.gz TUSNBIBIDHMHNJ-HBFSDRIKSA-N 1 3 361.555 2.677 20 0 FFADHO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@]3(C)C2)cs1 ZINC001091738290 1001183492 /nfs/dbraw/zinc/18/34/92/1001183492.db2.gz TUSNBIBIDHMHNJ-HBFSDRIKSA-N 1 3 361.555 2.677 20 0 FFADHO CCc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091738311 1001185506 /nfs/dbraw/zinc/18/55/06/1001185506.db2.gz UIIDOTOWSKEBSI-XPNTWCBSSA-N 1 3 369.553 2.870 20 0 FFADHO CCc1cccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@]3(C)C2)c1 ZINC001091738311 1001185512 /nfs/dbraw/zinc/18/55/12/1001185512.db2.gz UIIDOTOWSKEBSI-XPNTWCBSSA-N 1 3 369.553 2.870 20 0 FFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccnc3)C2)c1 ZINC001086882057 1001299636 /nfs/dbraw/zinc/29/96/36/1001299636.db2.gz YIZSOFXLDNJXLK-LAUBAEHRSA-N 1 3 366.509 2.832 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001112567352 1001497882 /nfs/dbraw/zinc/49/78/82/1001497882.db2.gz KSEPLASUVWDWDU-BZNBUERMSA-N 1 3 362.345 2.866 20 0 FFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000746675595 1001683678 /nfs/dbraw/zinc/68/36/78/1001683678.db2.gz NLYARBWLMYDFCS-OAQYLSRUSA-N 1 3 373.541 2.855 20 0 FFADHO CCO[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087083889 1001762106 /nfs/dbraw/zinc/76/21/06/1001762106.db2.gz WZVLESRLRKYUQN-MISYRCLQSA-N 1 3 365.562 2.504 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](C/C=C\c4ccccc4)C[C@@]3(C)C2)C1 ZINC001092010691 1002279230 /nfs/dbraw/zinc/27/92/30/1002279230.db2.gz JOBBHXVIKJJGRR-KZDTVBEZSA-N 1 3 367.537 2.822 20 0 FFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](C/C=C\c4ccccc4)C[C@@]3(C)C2)C1 ZINC001092010691 1002279239 /nfs/dbraw/zinc/27/92/39/1002279239.db2.gz JOBBHXVIKJJGRR-KZDTVBEZSA-N 1 3 367.537 2.822 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c1 ZINC001092013614 1002286733 /nfs/dbraw/zinc/28/67/33/1002286733.db2.gz VJNXATIFIAQAQS-LXBDKUERSA-N 1 3 369.553 2.926 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CC[C@H](C)C4)C[C@]3(C)C2)c1 ZINC001092013614 1002286742 /nfs/dbraw/zinc/28/67/42/1002286742.db2.gz VJNXATIFIAQAQS-LXBDKUERSA-N 1 3 369.553 2.926 20 0 FFADHO CC[C@@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001183908970 1002439007 /nfs/dbraw/zinc/43/90/07/1002439007.db2.gz HWVIHJNKGPNKNE-VXESANQCSA-N 1 3 354.535 2.977 20 0 FFADHO Cc1ccc(CN2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)cc1F ZINC001092203345 1002498625 /nfs/dbraw/zinc/49/86/25/1002498625.db2.gz KYWHMXFEWHHKEH-NQIIRXRSSA-N 1 3 371.500 2.510 20 0 FFADHO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)c1 ZINC001096886363 1016677763 /nfs/dbraw/zinc/67/77/63/1016677763.db2.gz LBSSAZQYSOIKLM-PBASOCQRSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C3)c1 ZINC001096886363 1016677771 /nfs/dbraw/zinc/67/77/71/1016677771.db2.gz LBSSAZQYSOIKLM-PBASOCQRSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCN2C)C3)c1 ZINC001096886363 1016677775 /nfs/dbraw/zinc/67/77/75/1016677775.db2.gz LBSSAZQYSOIKLM-PBASOCQRSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCN2C)C3)c1 ZINC001096886363 1016677782 /nfs/dbraw/zinc/67/77/82/1016677782.db2.gz LBSSAZQYSOIKLM-PBASOCQRSA-N 1 3 371.525 2.790 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C ZINC001092602802 1003209524 /nfs/dbraw/zinc/20/95/24/1003209524.db2.gz OSXVRWAQBAIXFI-LMMKCTJWSA-N 1 3 363.571 2.848 20 0 FFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C ZINC001092602802 1003209535 /nfs/dbraw/zinc/20/95/35/1003209535.db2.gz OSXVRWAQBAIXFI-LMMKCTJWSA-N 1 3 363.571 2.848 20 0 FFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001186190184 1003214281 /nfs/dbraw/zinc/21/42/81/1003214281.db2.gz WYKRBIHRYHSPGQ-IEBWSBKVSA-N 1 3 361.505 2.852 20 0 FFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001186190184 1003214287 /nfs/dbraw/zinc/21/42/87/1003214287.db2.gz WYKRBIHRYHSPGQ-IEBWSBKVSA-N 1 3 361.505 2.852 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC001092658516 1003364346 /nfs/dbraw/zinc/36/43/46/1003364346.db2.gz YDVSOUKZCBVJCZ-NRSPTQNISA-N 1 3 357.542 2.788 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C ZINC001092658516 1003364358 /nfs/dbraw/zinc/36/43/58/1003364358.db2.gz YDVSOUKZCBVJCZ-NRSPTQNISA-N 1 3 357.542 2.788 20 0 FFADHO CC[NH+](CC)CC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678138924 1016823072 /nfs/dbraw/zinc/82/30/72/1016823072.db2.gz BWJNCFQHNDXBNP-UHFFFAOYSA-N 1 3 353.532 2.612 20 0 FFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc(N(C)C)n1 ZINC001191390309 1003792092 /nfs/dbraw/zinc/79/20/92/1003792092.db2.gz KMGOSGMCVFFTAG-UHFFFAOYSA-N 1 3 373.589 2.776 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001050051522 1016873404 /nfs/dbraw/zinc/87/34/04/1016873404.db2.gz ZRRQEJQATHSLSH-BWMZOLHCSA-N 1 3 367.537 2.963 20 0 FFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C/C=C/c4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001050051522 1016873423 /nfs/dbraw/zinc/87/34/23/1016873423.db2.gz ZRRQEJQATHSLSH-BWMZOLHCSA-N 1 3 367.537 2.963 20 0 FFADHO COc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170522259 1004564778 /nfs/dbraw/zinc/56/47/78/1004564778.db2.gz FNEDMRPSCAUNIU-UHFFFAOYSA-N 1 3 350.466 3.000 20 0 FFADHO COC(=O)CCC[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001202220569 1005323353 /nfs/dbraw/zinc/32/33/53/1005323353.db2.gz SCGDAVWVCRNIIT-MRXNPFEDSA-N 1 3 366.527 2.757 20 0 FFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCC(F)(F)C1)C12CCC[NH+]1CCC2 ZINC001095684424 1016986383 /nfs/dbraw/zinc/98/63/83/1016986383.db2.gz DJFAQJXBAOLTKY-YVSFHVDLSA-N 1 3 367.484 2.772 20 0 FFADHO COCCN1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000813790653 1006040199 /nfs/dbraw/zinc/04/01/99/1006040199.db2.gz UBCKKJSIQBNYOT-XCSKNGGISA-N 1 3 357.542 2.882 20 0 FFADHO Cc1ccc(CNCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC001134126416 1006184136 /nfs/dbraw/zinc/18/41/36/1006184136.db2.gz PONISPLUFYRCOS-UXHICEINSA-N 1 3 369.484 2.685 20 0 FFADHO Cc1ccc(CNCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC001134126416 1006184147 /nfs/dbraw/zinc/18/41/47/1006184147.db2.gz PONISPLUFYRCOS-UXHICEINSA-N 1 3 369.484 2.685 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)c3cccc4c3CC[NH2+]C4)cc2)CC1 ZINC000852872460 1006214805 /nfs/dbraw/zinc/21/48/05/1006214805.db2.gz NGRYDZAKWOAQGS-UHFFFAOYSA-N 1 3 364.493 2.727 20 0 FFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)C2 ZINC001110661456 1006302263 /nfs/dbraw/zinc/30/22/63/1006302263.db2.gz UAJJFLUJSDBGGL-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)C2 ZINC001110661456 1006302274 /nfs/dbraw/zinc/30/22/74/1006302274.db2.gz UAJJFLUJSDBGGL-ZRNYENFQSA-N 1 3 363.546 2.542 20 0 FFADHO O=C(CC12CCC[NH+]1CCC2)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001273557978 1006490340 /nfs/dbraw/zinc/49/03/40/1006490340.db2.gz CWCXABGSDFUYSH-JKSUJKDBSA-N 1 3 373.463 2.880 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000854038126 1006640976 /nfs/dbraw/zinc/64/09/76/1006640976.db2.gz KNJPPDJCHOHBNJ-CTNGQTDRSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000854038126 1006640988 /nfs/dbraw/zinc/64/09/88/1006640988.db2.gz KNJPPDJCHOHBNJ-CTNGQTDRSA-N 1 3 358.530 2.634 20 0 FFADHO OC1(C[NH2+]Cc2cccc3c2CCOC3)CCN(Cc2ccccc2)CC1 ZINC000883146387 1006671781 /nfs/dbraw/zinc/67/17/81/1006671781.db2.gz LFHGTAJHLSSBJZ-UHFFFAOYSA-N 1 3 366.505 2.876 20 0 FFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883426821 1006787654 /nfs/dbraw/zinc/78/76/54/1006787654.db2.gz AQDHFMVQWAZCQM-UFYCRDLUSA-N 1 3 359.514 2.616 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCCCF)C[C@H]21)N1CCCCCC1 ZINC001189312773 1007016877 /nfs/dbraw/zinc/01/68/77/1007016877.db2.gz WBLIVXCFYVPSRL-GBESFXJTSA-N 1 3 353.526 2.923 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]21)N1CCCCCC1 ZINC001189312773 1007016890 /nfs/dbraw/zinc/01/68/90/1007016890.db2.gz WBLIVXCFYVPSRL-GBESFXJTSA-N 1 3 353.526 2.923 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000855345556 1007293367 /nfs/dbraw/zinc/29/33/67/1007293367.db2.gz CUXBAXKQNPRCDN-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000855345556 1007293374 /nfs/dbraw/zinc/29/33/74/1007293374.db2.gz CUXBAXKQNPRCDN-AWEZNQCLSA-N 1 3 362.905 2.890 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(CCc3ccccc3F)C[C@H]21 ZINC001189871445 1007316764 /nfs/dbraw/zinc/31/67/64/1007316764.db2.gz OWUREMAESMKXBN-AZUAARDMSA-N 1 3 361.505 2.633 20 0 FFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001189879966 1007320983 /nfs/dbraw/zinc/32/09/83/1007320983.db2.gz GYHSUNMRCASROM-FFLQPZBESA-N 1 3 355.526 2.964 20 0 FFADHO CC[NH+]1CCC(N2CCCN(Cn3ccc(-c4ccccc4)n3)CC2)CC1 ZINC000817371676 1007566587 /nfs/dbraw/zinc/56/65/87/1007566587.db2.gz ABGINZFTJWSMBA-UHFFFAOYSA-N 1 3 367.541 3.000 20 0 FFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001086819895 1007893249 /nfs/dbraw/zinc/89/32/49/1007893249.db2.gz GNKFMERNSMLTLW-DFQSSKMNSA-N 1 3 358.530 2.719 20 0 FFADHO N[C@H](CC1CCCCC1)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000818538209 1007933258 /nfs/dbraw/zinc/93/32/58/1007933258.db2.gz DMHKNZVAAWTXRO-LJQANCHMSA-N 1 3 373.497 2.832 20 0 FFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccc(C)cc3)cc2)CC1 ZINC000818957535 1007994524 /nfs/dbraw/zinc/99/45/24/1007994524.db2.gz SWIVCUAYHOGYOK-QHCPKHFHSA-N 1 3 367.537 2.956 20 0 FFADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000819086232 1008030361 /nfs/dbraw/zinc/03/03/61/1008030361.db2.gz ZBXUBZPVCIPADR-KDOFPFPSSA-N 1 3 372.431 2.829 20 0 FFADHO COc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(F)c1OC ZINC000886156150 1008591293 /nfs/dbraw/zinc/59/12/93/1008591293.db2.gz YINYGBKFOHMVSU-UHFFFAOYSA-N 1 3 366.477 2.824 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3C[C@]34CCOC4)C2)ccn1 ZINC000886294763 1008625116 /nfs/dbraw/zinc/62/51/16/1008625116.db2.gz PAHVDJQDDJMDPQ-UIFIKXQLSA-N 1 3 359.514 2.802 20 0 FFADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3C[C@]34CCOC4)C2)ccn1 ZINC000886294763 1008625128 /nfs/dbraw/zinc/62/51/28/1008625128.db2.gz PAHVDJQDDJMDPQ-UIFIKXQLSA-N 1 3 359.514 2.802 20 0 FFADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc3cnccc32)c1 ZINC001177638388 1008694139 /nfs/dbraw/zinc/69/41/39/1008694139.db2.gz YGVXHLPMCIXLLR-UHFFFAOYSA-N 1 3 362.477 2.816 20 0 FFADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CN1CCOCC1 ZINC000886530246 1008721225 /nfs/dbraw/zinc/72/12/25/1008721225.db2.gz GZPWSABOMLVGKW-UVUJQTEASA-N 1 3 357.542 2.597 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)CC(C)(C)C ZINC001178157548 1008886383 /nfs/dbraw/zinc/88/63/83/1008886383.db2.gz IMEOUTMOJFDOLH-UXHICEINSA-N 1 3 357.542 2.945 20 0 FFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)CC(C)(C)C ZINC001178157548 1008886394 /nfs/dbraw/zinc/88/63/94/1008886394.db2.gz IMEOUTMOJFDOLH-UXHICEINSA-N 1 3 357.542 2.945 20 0 FFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000887134263 1009044667 /nfs/dbraw/zinc/04/46/67/1009044667.db2.gz GLOVZJFYZZKLBP-ROUUACIJSA-N 1 3 358.530 2.877 20 0 FFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000152155197 1009760013 /nfs/dbraw/zinc/76/00/13/1009760013.db2.gz XLDJRHPEQRZPNE-FXAWDEMLSA-N 1 3 373.545 2.733 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001181995013 1010335596 /nfs/dbraw/zinc/33/55/96/1010335596.db2.gz JPEXFXBWMVZFIZ-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001181995013 1010335605 /nfs/dbraw/zinc/33/56/05/1010335605.db2.gz JPEXFXBWMVZFIZ-HXUWFJFHSA-N 1 3 370.541 2.771 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(F)(F)C1 ZINC001095405149 1010452143 /nfs/dbraw/zinc/45/21/43/1010452143.db2.gz NNWAQNHKHSJAGY-LTIDMASMSA-N 1 3 355.473 2.626 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(F)(F)C1 ZINC001095405149 1010452146 /nfs/dbraw/zinc/45/21/46/1010452146.db2.gz NNWAQNHKHSJAGY-LTIDMASMSA-N 1 3 355.473 2.626 20 0 FFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001093823994 1010594943 /nfs/dbraw/zinc/59/49/43/1010594943.db2.gz BTYWCNWQFYDWCU-MAODMQOUSA-N 1 3 357.542 2.773 20 0 FFADHO Cc1nsc(C)c1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001093839544 1010610396 /nfs/dbraw/zinc/61/03/96/1010610396.db2.gz RZPXAGISRKFGSO-QBIMZIAESA-N 1 3 366.575 2.530 20 0 FFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC001094041126 1010803382 /nfs/dbraw/zinc/80/33/82/1010803382.db2.gz WPWDRJOTZBPCEQ-BFYDXBDKSA-N 1 3 365.468 2.633 20 0 FFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cs1 ZINC001094043910 1010806389 /nfs/dbraw/zinc/80/63/89/1010806389.db2.gz CDMOVGQGNZAFTQ-CRAIPNDOSA-N 1 3 363.571 2.973 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C(C)C)n2)[C@H](C)C1)N(C)C ZINC001094049078 1010808076 /nfs/dbraw/zinc/80/80/76/1010808076.db2.gz DYHCIAWXZXMULN-HLIPFELVSA-N 1 3 360.546 2.729 20 0 FFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC001094074823 1010833611 /nfs/dbraw/zinc/83/36/11/1010833611.db2.gz NNSRENJKLOPXFS-OXQOHEQNSA-N 1 3 362.477 2.990 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)N3CCCCC[C@H]([NH3+])C3)cc2)CC1 ZINC000868096674 1011166160 /nfs/dbraw/zinc/16/61/60/1011166160.db2.gz SQJGHGQVMZAWRS-KRWDZBQOSA-N 1 3 359.518 2.564 20 0 FFADHO COC(=O)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716733314 1011302955 /nfs/dbraw/zinc/30/29/55/1011302955.db2.gz SDCWBMDSCHLQBP-IHPCNDPISA-N 1 3 357.498 2.860 20 0 FFADHO CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](Cc3cccc(F)c3)C1)CC2 ZINC001274230913 1011330528 /nfs/dbraw/zinc/33/05/28/1011330528.db2.gz NIQRGEHHKUGRMO-SFHVURJKSA-N 1 3 359.489 2.592 20 0 FFADHO CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC001274230913 1011330536 /nfs/dbraw/zinc/33/05/36/1011330536.db2.gz NIQRGEHHKUGRMO-SFHVURJKSA-N 1 3 359.489 2.592 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274409097 1011427989 /nfs/dbraw/zinc/42/79/89/1011427989.db2.gz RYNAPXJVTHDFGA-TZIWHRDSSA-N 1 3 358.530 2.704 20 0 FFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274409097 1011427996 /nfs/dbraw/zinc/42/79/96/1011427996.db2.gz RYNAPXJVTHDFGA-TZIWHRDSSA-N 1 3 358.530 2.704 20 0 FFADHO CC[NH+](CC)CCN1CCN(C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171922477 1011544512 /nfs/dbraw/zinc/54/45/12/1011544512.db2.gz YQQQWPNSRSYATL-UHFFFAOYSA-N 1 3 367.578 2.846 20 0 FFADHO O[C@H]1CCCN(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172077465 1011614516 /nfs/dbraw/zinc/61/45/16/1011614516.db2.gz TVMSRSRBRHBTLR-KJJMTIBFSA-N 1 3 357.542 2.618 20 0 FFADHO C[C@]1(CO)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1O ZINC001172069246 1011628275 /nfs/dbraw/zinc/62/82/75/1011628275.db2.gz OJCXCVOYHMUTIL-AHJNKEMKSA-N 1 3 358.526 2.637 20 0 FFADHO C[C@]1(CO)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1O ZINC001172069246 1011628278 /nfs/dbraw/zinc/62/82/78/1011628278.db2.gz OJCXCVOYHMUTIL-AHJNKEMKSA-N 1 3 358.526 2.637 20 0 FFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(Oc3ccc(Cl)nn3)CC1)C2 ZINC001172127281 1011632018 /nfs/dbraw/zinc/63/20/18/1011632018.db2.gz HLFVZAOVQGOHIC-QDMKHBRRSA-N 1 3 350.894 2.989 20 0 FFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(Oc3ccc(Cl)nn3)CC1)C2 ZINC001172127281 1011632026 /nfs/dbraw/zinc/63/20/26/1011632026.db2.gz HLFVZAOVQGOHIC-QDMKHBRRSA-N 1 3 350.894 2.989 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccccc2OC(C)C)CC[N@@H+]1C ZINC001274761087 1011637783 /nfs/dbraw/zinc/63/77/83/1011637783.db2.gz ZSLYZVSCODZMCT-NZSAHSFTSA-N 1 3 361.530 2.798 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccccc2OC(C)C)CC[N@H+]1C ZINC001274761087 1011637789 /nfs/dbraw/zinc/63/77/89/1011637789.db2.gz ZSLYZVSCODZMCT-NZSAHSFTSA-N 1 3 361.530 2.798 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]31)C2 ZINC001172114477 1011643368 /nfs/dbraw/zinc/64/33/68/1011643368.db2.gz CWDFLTNIYNUBRD-FLNLFJTMSA-N 1 3 371.525 2.955 20 0 FFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]31)C2 ZINC001172114477 1011643377 /nfs/dbraw/zinc/64/33/77/1011643377.db2.gz CWDFLTNIYNUBRD-FLNLFJTMSA-N 1 3 371.525 2.955 20 0 FFADHO COCCC[NH+]1CCC(NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001172247569 1011717642 /nfs/dbraw/zinc/71/76/42/1011717642.db2.gz MLPGTFXSPUXCAX-QGZVFWFLSA-N 1 3 357.539 2.626 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000646074496 1011726776 /nfs/dbraw/zinc/72/67/76/1011726776.db2.gz ZNAWKELZONZIJT-XZOQPEGZSA-N 1 3 373.585 2.861 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000646074496 1011726791 /nfs/dbraw/zinc/72/67/91/1011726791.db2.gz ZNAWKELZONZIJT-XZOQPEGZSA-N 1 3 373.585 2.861 20 0 FFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC001221962797 1032588983 /nfs/dbraw/zinc/58/89/83/1032588983.db2.gz WPCDPHUVIOTXJZ-TZIWHRDSSA-N 1 3 368.525 2.933 20 0 FFADHO C[C@@H]1CC[C@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173059902 1012215616 /nfs/dbraw/zinc/21/56/16/1012215616.db2.gz LKOUHVNVAPCJBZ-VQHPVUNQSA-N 1 3 367.534 2.745 20 0 FFADHO CC[NH+](CC)C1CCC(NCc2cc(OC)ccc2S(C)(=O)=O)CC1 ZINC001173109056 1012255692 /nfs/dbraw/zinc/25/56/92/1012255692.db2.gz WJDQEYHDGKEFIB-UHFFFAOYSA-N 1 3 368.543 2.841 20 0 FFADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000647492589 1012512892 /nfs/dbraw/zinc/51/28/92/1012512892.db2.gz LRPUCLDBRDVCNK-UHFFFAOYSA-N 1 3 368.525 2.614 20 0 FFADHO C[C@H]([NH3+])[C@H]1CCN(Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000647509978 1012520972 /nfs/dbraw/zinc/52/09/72/1012520972.db2.gz RRKXODQQZOGWDQ-RDJZCZTQSA-N 1 3 372.538 2.816 20 0 FFADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000647508490 1012521601 /nfs/dbraw/zinc/52/16/01/1012521601.db2.gz OTQFIIORUOGXLN-CVEARBPZSA-N 1 3 372.538 2.816 20 0 FFADHO Fc1cccc(COc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000647541169 1012527973 /nfs/dbraw/zinc/52/79/73/1012527973.db2.gz DLMDCHJGQYBBSV-OAQYLSRUSA-N 1 3 369.484 2.884 20 0 FFADHO CNC(=O)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Cc1ccc(C(F)(F)F)cc1 ZINC000647804418 1012589009 /nfs/dbraw/zinc/58/90/09/1012589009.db2.gz QDJNPBJCJBMUFL-KMFMINBZSA-N 1 3 371.447 2.588 20 0 FFADHO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000647833951 1012605594 /nfs/dbraw/zinc/60/55/94/1012605594.db2.gz USFFOYHVBOQDGO-DBXWQHBBSA-N 1 3 357.542 2.881 20 0 FFADHO CCOCc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977637 1012654442 /nfs/dbraw/zinc/65/44/42/1012654442.db2.gz FOLPHISDNCYYCF-LEWJYISDSA-N 1 3 373.541 2.551 20 0 FFADHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc2ccccc2o1 ZINC001275641360 1012747888 /nfs/dbraw/zinc/74/78/88/1012747888.db2.gz IYZDMIUMMIEWIA-NRFANRHFSA-N 1 3 355.482 2.951 20 0 FFADHO C[C@H](NC(=O)C1(N)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648167504 1012766291 /nfs/dbraw/zinc/76/62/91/1012766291.db2.gz WVPSXTFGJIAPDM-LAUBAEHRSA-N 1 3 363.505 2.510 20 0 FFADHO C[C@H](NC(=O)C1(N)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648167504 1012766312 /nfs/dbraw/zinc/76/63/12/1012766312.db2.gz WVPSXTFGJIAPDM-LAUBAEHRSA-N 1 3 363.505 2.510 20 0 FFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000678334605 1017086069 /nfs/dbraw/zinc/08/60/69/1017086069.db2.gz VMLFACKIXPXDOK-WOJBJXKFSA-N 1 3 362.539 2.868 20 0 FFADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@@H]21 ZINC000827330262 1017634317 /nfs/dbraw/zinc/63/43/17/1017634317.db2.gz LIUMUFVHADDQGI-HBFSDRIKSA-N 1 3 359.489 2.590 20 0 FFADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@@H]21 ZINC000827330262 1017634325 /nfs/dbraw/zinc/63/43/25/1017634325.db2.gz LIUMUFVHADDQGI-HBFSDRIKSA-N 1 3 359.489 2.590 20 0 FFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnnn1-c1ccccc1 ZINC000925439882 1017741494 /nfs/dbraw/zinc/74/14/94/1017741494.db2.gz OBQSVEWEZWYYNF-FGTMMUONSA-N 1 3 357.502 2.807 20 0 FFADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1Cn1cccn1 ZINC000925785362 1017847507 /nfs/dbraw/zinc/84/75/07/1017847507.db2.gz UGIICICCFYZHMQ-WMLDXEAASA-N 1 3 364.440 2.835 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CNCC3(CCOCC3)C2)c2ccccc21 ZINC000925794424 1017848145 /nfs/dbraw/zinc/84/81/45/1017848145.db2.gz URYOOLXDHAZAEX-PWIZWCRZSA-N 1 3 372.509 2.917 20 0 FFADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000925916026 1017900447 /nfs/dbraw/zinc/90/04/47/1017900447.db2.gz SJCXSGZHCVEEIF-SFHVURJKSA-N 1 3 361.534 2.590 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000680913644 1018255597 /nfs/dbraw/zinc/25/55/97/1018255597.db2.gz FOFNZYWXSMFZJQ-UWVAXJGDSA-N 1 3 358.530 2.536 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000680946648 1018274946 /nfs/dbraw/zinc/27/49/46/1018274946.db2.gz SCRVHEYNAOHYRM-SXLOBPIMSA-N 1 3 358.530 2.679 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3c[nH]c4cccc(C)c34)C[C@@H]1C[NH2+]CCC2 ZINC001222131657 1032777735 /nfs/dbraw/zinc/77/77/35/1032777735.db2.gz ZVRUARRWBMFMNH-UWJYYQICSA-N 1 3 355.482 2.841 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@@H]5COC[C@@H]5O4)CC[C@@H]32)cc1 ZINC000929842847 1019682430 /nfs/dbraw/zinc/68/24/30/1019682430.db2.gz DMXGFUOIXPJKFD-AANPDWTMSA-N 1 3 356.510 2.777 20 0 FFADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](C[C@@H]4C[C@@H]5COC[C@@H]5O4)CC[C@@H]32)cc1 ZINC000929842847 1019682435 /nfs/dbraw/zinc/68/24/35/1019682435.db2.gz DMXGFUOIXPJKFD-AANPDWTMSA-N 1 3 356.510 2.777 20 0 FFADHO COC(=O)c1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000902809423 1020490724 /nfs/dbraw/zinc/49/07/24/1020490724.db2.gz SFZRHJRNIHFWJR-SJORKVTESA-N 1 3 360.498 2.933 20 0 FFADHO C[C@H](c1ccccc1F)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829285 1020536595 /nfs/dbraw/zinc/53/65/95/1020536595.db2.gz KYBUMTWPGGHYAN-ZQOJQMTGSA-N 1 3 359.489 2.617 20 0 FFADHO C[C@H](c1ccccc1F)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048829285 1020536598 /nfs/dbraw/zinc/53/65/98/1020536598.db2.gz KYBUMTWPGGHYAN-ZQOJQMTGSA-N 1 3 359.489 2.617 20 0 FFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CC[NH+](C)CC2)C3)cc1 ZINC001096104493 1020684474 /nfs/dbraw/zinc/68/44/74/1020684474.db2.gz KRHGPBLQIUJVBK-HKBOAZHASA-N 1 3 355.526 2.948 20 0 FFADHO CCc1ccc(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)cc1 ZINC001098225223 1020746693 /nfs/dbraw/zinc/74/66/93/1020746693.db2.gz ZWFFQVNFVQDTEG-NJYVYQBISA-N 1 3 367.537 2.609 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000932788339 1020902025 /nfs/dbraw/zinc/90/20/25/1020902025.db2.gz JHPCWQMODBRQKK-AZUAARDMSA-N 1 3 373.541 2.875 20 0 FFADHO CC(C)COCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099080459 1021732289 /nfs/dbraw/zinc/73/22/89/1021732289.db2.gz QMLMZALEMRAKOE-CEXWTWQISA-N 1 3 367.578 2.606 20 0 FFADHO CC(C)COCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099080459 1021732302 /nfs/dbraw/zinc/73/23/02/1021732302.db2.gz QMLMZALEMRAKOE-CEXWTWQISA-N 1 3 367.578 2.606 20 0 FFADHO Cc1ccc(-c2ccc(C[N@@H+]3CC4(CNC4)[C@]4(CCNC4=O)C3)cc2)cc1 ZINC001222520985 1033026219 /nfs/dbraw/zinc/02/62/19/1033026219.db2.gz MEKBOZHDIZCFIN-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO Cc1ccc(-c2ccc(C[N@H+]3CC4(CNC4)[C@]4(CCNC4=O)C3)cc2)cc1 ZINC001222520985 1033026234 /nfs/dbraw/zinc/02/62/34/1033026234.db2.gz MEKBOZHDIZCFIN-HSZRJFAPSA-N 1 3 361.489 2.574 20 0 FFADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001099307155 1022267750 /nfs/dbraw/zinc/26/77/50/1022267750.db2.gz FFYVNLIZRFERCJ-OAGGEKHMSA-N 1 3 363.468 2.886 20 0 FFADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001099453726 1022553785 /nfs/dbraw/zinc/55/37/85/1022553785.db2.gz SHRIOVWMBCCLSL-DSKINZAPSA-N 1 3 361.505 2.884 20 0 FFADHO CC(C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001099500654 1022637135 /nfs/dbraw/zinc/63/71/35/1022637135.db2.gz ZVMUNVUYZXRKCZ-VDGAXYAQSA-N 1 3 353.526 2.826 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001111268824 1022872822 /nfs/dbraw/zinc/87/28/22/1022872822.db2.gz CJKKUOYSASFZIT-MANSERQUSA-N 1 3 353.551 2.645 20 0 FFADHO [NH3+][C@H](CC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21)c1ccccc1 ZINC001122249909 1023145843 /nfs/dbraw/zinc/14/58/43/1023145843.db2.gz UBSHZNXLNFNLKE-NLWGTHIKSA-N 1 3 365.477 2.585 20 0 FFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)NC1(C2CC[NH2+]CC2)CC1 ZINC001120480360 1023336699 /nfs/dbraw/zinc/33/66/99/1023336699.db2.gz RNZPQZHGRQUPEI-LJQANCHMSA-N 1 3 356.514 2.655 20 0 FFADHO O[C@H](C[NH2+][C@H]1C[C@@H](N2CCCC2)C1)COc1cc(Cl)cc(Cl)c1 ZINC001120607873 1023383763 /nfs/dbraw/zinc/38/37/63/1023383763.db2.gz IADMXDMMKKTWQB-OWCLPIDISA-N 1 3 359.297 2.950 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001120621439 1023390759 /nfs/dbraw/zinc/39/07/59/1023390759.db2.gz BEWJXHIXCVUXMK-YLJYHZDGSA-N 1 3 358.530 2.844 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001120621439 1023390764 /nfs/dbraw/zinc/39/07/64/1023390764.db2.gz BEWJXHIXCVUXMK-YLJYHZDGSA-N 1 3 358.530 2.844 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CCCC3(C)C)cc2)CC1 ZINC000755054982 1023560187 /nfs/dbraw/zinc/56/01/87/1023560187.db2.gz INTIMWXNZDMESS-IBGZPJMESA-N 1 3 358.530 2.935 20 0 FFADHO FC1(F)CCNC[C@@H]1Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218446729 1033158819 /nfs/dbraw/zinc/15/88/19/1033158819.db2.gz FDBFNFWDLMBBNH-KRWDZBQOSA-N 1 3 362.424 2.851 20 0 FFADHO CSc1cc(C)nc(SC)c1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218517637 1033194296 /nfs/dbraw/zinc/19/42/96/1033194296.db2.gz PIPYXVXGXYFLEK-LBPRGKRZSA-N 1 3 356.561 2.832 20 0 FFADHO N[C@@H]1CCCn2nc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc21 ZINC001121982939 1024232932 /nfs/dbraw/zinc/23/29/32/1024232932.db2.gz WVOBTSWCXXIJFY-GOSISDBHSA-N 1 3 367.497 2.593 20 0 FFADHO [NH3+]CCCSCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001121996409 1024246970 /nfs/dbraw/zinc/24/69/70/1024246970.db2.gz IMZJYPMLDZNKDB-UHFFFAOYSA-N 1 3 367.584 2.689 20 0 FFADHO Cc1cccc(Cl)c1CN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351362 1024525759 /nfs/dbraw/zinc/52/57/59/1024525759.db2.gz FLDNFEIKGJVWNE-UZLBHIALSA-N 1 3 363.933 2.880 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1 ZINC001101478575 1024850392 /nfs/dbraw/zinc/85/03/92/1024850392.db2.gz VBROVBBPVIKRPV-KNQAVFIVSA-N 1 3 368.525 2.788 20 0 FFADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@]2(C)C1 ZINC001101478575 1024850402 /nfs/dbraw/zinc/85/04/02/1024850402.db2.gz VBROVBBPVIKRPV-KNQAVFIVSA-N 1 3 368.525 2.788 20 0 FFADHO O=C1CC2(CCCC2)CN1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779877431 1025182308 /nfs/dbraw/zinc/18/23/08/1025182308.db2.gz IXWRTBFHJHQSFM-UHFFFAOYSA-N 1 3 363.546 2.561 20 0 FFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046217 1025351476 /nfs/dbraw/zinc/35/14/76/1025351476.db2.gz SJUNUPRTEGNXLA-ZACQAIPSSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046217 1025351487 /nfs/dbraw/zinc/35/14/87/1025351487.db2.gz SJUNUPRTEGNXLA-ZACQAIPSSA-N 1 3 371.516 2.980 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047776 1025352856 /nfs/dbraw/zinc/35/28/56/1025352856.db2.gz SEDAWFRDLUJHAM-SUYBPPKGSA-N 1 3 369.962 2.926 20 0 FFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1F ZINC001102048417 1025353819 /nfs/dbraw/zinc/35/38/19/1025353819.db2.gz ARKLQPMZAGNNGG-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)N(C)C)[C@H](C)C2)cc1F ZINC001102048417 1025353833 /nfs/dbraw/zinc/35/38/33/1025353833.db2.gz ARKLQPMZAGNNGG-XFQXTVEOSA-N 1 3 361.505 2.658 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)sn1 ZINC001102062004 1025379685 /nfs/dbraw/zinc/37/96/85/1025379685.db2.gz QSWFCBORQIKLEN-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO Cc1cc(CN2C[C@@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)[C@H](C)C2)sn1 ZINC001102062004 1025379694 /nfs/dbraw/zinc/37/96/94/1025379694.db2.gz QSWFCBORQIKLEN-OIISXLGYSA-N 1 3 364.559 2.510 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1C)N(C)C ZINC001102070743 1025391624 /nfs/dbraw/zinc/39/16/24/1025391624.db2.gz QTBFJRXVGLRQBY-AHRSYUTCSA-N 1 3 363.521 2.926 20 0 FFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1C)N(C)C ZINC001102070743 1025391637 /nfs/dbraw/zinc/39/16/37/1025391637.db2.gz QTBFJRXVGLRQBY-AHRSYUTCSA-N 1 3 363.521 2.926 20 0 FFADHO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001218676997 1033276744 /nfs/dbraw/zinc/27/67/44/1033276744.db2.gz KUZVYSXPYDRXKO-INIZCTEOSA-N 1 3 357.502 2.873 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001102101149 1025425695 /nfs/dbraw/zinc/42/56/95/1025425695.db2.gz PFOLJFBPBHEDNW-OWCLPIDISA-N 1 3 359.505 2.836 20 0 FFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001102101149 1025425700 /nfs/dbraw/zinc/42/57/00/1025425700.db2.gz PFOLJFBPBHEDNW-OWCLPIDISA-N 1 3 359.505 2.836 20 0 FFADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H](c1cccs1)N1CCCC1 ZINC000638050953 1025681772 /nfs/dbraw/zinc/68/17/72/1025681772.db2.gz ACTFMNARHMVTRA-IBGZPJMESA-N 1 3 369.534 2.890 20 0 FFADHO COC[C@]1(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCCCN1 ZINC000638102118 1025700420 /nfs/dbraw/zinc/70/04/20/1025700420.db2.gz XWNMZUNCGJFMCM-QFIPXVFZSA-N 1 3 373.541 2.516 20 0 FFADHO COC[C@]1(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCCCN1 ZINC000638102118 1025700431 /nfs/dbraw/zinc/70/04/31/1025700431.db2.gz XWNMZUNCGJFMCM-QFIPXVFZSA-N 1 3 373.541 2.516 20 0 FFADHO C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320465 1025740518 /nfs/dbraw/zinc/74/05/18/1025740518.db2.gz DMXCIWMFMKNBQB-GDBMZVCRSA-N 1 3 371.447 2.841 20 0 FFADHO Cc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1 ZINC001102366827 1025820340 /nfs/dbraw/zinc/82/03/40/1025820340.db2.gz RVDJQMHNXUASAE-SFHLNBCPSA-N 1 3 357.542 2.706 20 0 FFADHO Cc1ccc(CC[N@H+]2C[C@@H](CNC(=O)CN3CCC[C@H]3C)[C@H](C)C2)cc1 ZINC001102366827 1025820359 /nfs/dbraw/zinc/82/03/59/1025820359.db2.gz RVDJQMHNXUASAE-SFHLNBCPSA-N 1 3 357.542 2.706 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1C)N(C)C ZINC001102377149 1025848341 /nfs/dbraw/zinc/84/83/41/1025848341.db2.gz QOWSNJLFNBSIRZ-AHRSYUTCSA-N 1 3 368.525 2.759 20 0 FFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C)N(C)C ZINC001102377149 1025848353 /nfs/dbraw/zinc/84/83/53/1025848353.db2.gz QOWSNJLFNBSIRZ-AHRSYUTCSA-N 1 3 368.525 2.759 20 0 FFADHO CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CN(Cc2cncs2)C[C@H]1C)C(C)C ZINC001102472248 1026042222 /nfs/dbraw/zinc/04/22/22/1026042222.db2.gz QQLAHTJYXFJSPT-NUJGCVRESA-N 1 3 366.575 2.694 20 0 FFADHO Cn1c(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc2ccccc21 ZINC000638872174 1026064509 /nfs/dbraw/zinc/06/45/09/1026064509.db2.gz FWNWWVDYWGPFER-UHFFFAOYSA-N 1 3 364.493 2.760 20 0 FFADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001103156827 1027013677 /nfs/dbraw/zinc/01/36/77/1027013677.db2.gz YHEQLGMAJGHTLI-HYVNUMGLSA-N 1 3 364.534 2.849 20 0 FFADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC001103156827 1027013667 /nfs/dbraw/zinc/01/36/67/1027013667.db2.gz YHEQLGMAJGHTLI-HYVNUMGLSA-N 1 3 364.534 2.849 20 0 FFADHO CN1CCC(N([C@@H](F)Oc2ccnc(Cl)c2)C2CC[NH2+]CC2)CC1 ZINC001158575055 1027064403 /nfs/dbraw/zinc/06/44/03/1027064403.db2.gz HZYCGDSEUULYLW-QGZVFWFLSA-N 1 3 356.873 2.515 20 0 FFADHO CN1CCC(N(c2cnc3cc(Cl)ccc3n2)C2CC[NH2+]CC2)CC1 ZINC001158575672 1027064642 /nfs/dbraw/zinc/06/46/42/1027064642.db2.gz QPJZWRGFOQMIAE-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO CN1CCC(N(c2cc3nccc(Cl)c3cn2)C2CC[NH2+]CC2)CC1 ZINC001158581436 1027066501 /nfs/dbraw/zinc/06/65/01/1027066501.db2.gz SXLHRIAGSPBCRI-UHFFFAOYSA-N 1 3 359.905 2.936 20 0 FFADHO N[C@H](CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)c1ccc(Cl)cc1Cl ZINC001158579274 1027066781 /nfs/dbraw/zinc/06/67/81/1027066781.db2.gz QSPNVOPTCTUODZ-RIEGTJTDSA-N 1 3 374.287 2.919 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001159259474 1027328267 /nfs/dbraw/zinc/32/82/67/1027328267.db2.gz YKRYVRVQLDETAJ-JAXLGGSGSA-N 1 3 373.541 2.611 20 0 FFADHO C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396829 1027394381 /nfs/dbraw/zinc/39/43/81/1027394381.db2.gz LQEABIWIMXUZDH-ZIAGYGMSSA-N 1 3 357.951 2.927 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C)C1 ZINC001103436437 1027481275 /nfs/dbraw/zinc/48/12/75/1027481275.db2.gz XZWGWKYMMXXEAA-ZHALLVOQSA-N 1 3 361.505 2.742 20 0 FFADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2C)C1 ZINC001103436437 1027481282 /nfs/dbraw/zinc/48/12/82/1027481282.db2.gz XZWGWKYMMXXEAA-ZHALLVOQSA-N 1 3 361.505 2.742 20 0 FFADHO CN1CCc2nc(Cl)nc(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)c2C1 ZINC001159953935 1027544061 /nfs/dbraw/zinc/54/40/61/1027544061.db2.gz ZRMYGFRKWBOGMQ-GFCCVEGCSA-N 1 3 367.884 2.878 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001103550186 1027665093 /nfs/dbraw/zinc/66/50/93/1027665093.db2.gz CXXITLTWLOATKQ-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001103550186 1027665100 /nfs/dbraw/zinc/66/51/00/1027665100.db2.gz CXXITLTWLOATKQ-IEBWSBKVSA-N 1 3 361.530 2.611 20 0 FFADHO CN(C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161057882 1027989189 /nfs/dbraw/zinc/98/91/89/1027989189.db2.gz ILVFMKGJDSYJED-NJDAHSKKSA-N 1 3 351.494 2.952 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)C[C@H]21 ZINC001161081129 1028001602 /nfs/dbraw/zinc/00/16/02/1028001602.db2.gz FOFCTXWACYMMCT-IUIKQTSFSA-N 1 3 356.297 2.936 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C(=O)C[C@@H](N)c3ccc(Cl)cc3Cl)C[C@H]21 ZINC001161081129 1028001619 /nfs/dbraw/zinc/00/16/19/1028001619.db2.gz FOFCTXWACYMMCT-IUIKQTSFSA-N 1 3 356.297 2.936 20 0 FFADHO COc1ccccc1OCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643456404 1028009726 /nfs/dbraw/zinc/00/97/26/1028009726.db2.gz RAAUIYSAQBFXBR-UTKZUKDTSA-N 1 3 354.450 2.920 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)N(C)CC[N@H+](C)Cc2ccccc2)c(C)c1 ZINC001161158419 1028042387 /nfs/dbraw/zinc/04/23/87/1028042387.db2.gz HEEDNAAINUYZQT-NRFANRHFSA-N 1 3 353.510 2.764 20 0 FFADHO Cc1ccc(C[C@H](N)C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC001161158419 1028042396 /nfs/dbraw/zinc/04/23/96/1028042396.db2.gz HEEDNAAINUYZQT-NRFANRHFSA-N 1 3 353.510 2.764 20 0 FFADHO Cc1nc(NCC2CC[NH+](C3CCOCC3)CC2)cc(N2CCCC2)n1 ZINC001161234258 1028085192 /nfs/dbraw/zinc/08/51/92/1028085192.db2.gz MMAYMQDYOOYJJL-UHFFFAOYSA-N 1 3 359.518 2.688 20 0 FFADHO c1cnc(NCC2CC[NH+](C3CCOCC3)CC2)c(CN2CCCC2)c1 ZINC001161240771 1028088660 /nfs/dbraw/zinc/08/86/60/1028088660.db2.gz BHUFLJVLDYCCMO-UHFFFAOYSA-N 1 3 358.530 2.980 20 0 FFADHO COc1c(Cl)cc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001161448877 1028180091 /nfs/dbraw/zinc/18/00/91/1028180091.db2.gz IOCVUUNWBSIOTJ-ZDUSSCGKSA-N 1 3 374.312 2.758 20 0 FFADHO CCOc1ccc2ccccc2c1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161453116 1028184505 /nfs/dbraw/zinc/18/45/05/1028184505.db2.gz ZICQBEAKFVKCRM-SFHVURJKSA-N 1 3 369.509 2.994 20 0 FFADHO CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)cc1 ZINC001161569818 1028232946 /nfs/dbraw/zinc/23/29/46/1028232946.db2.gz CMYYMSSXTGLODC-IEBWSBKVSA-N 1 3 359.514 2.507 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CN[C@H]3CC[N@@H+](C4CCCC4)C3)c2cc1C ZINC000644550430 1028544283 /nfs/dbraw/zinc/54/42/83/1028544283.db2.gz VQNMUGRPXPAJFU-HKUYNNGSSA-N 1 3 356.514 2.621 20 0 FFADHO Cc1cc2ncn(C[C@@H](O)CN[C@H]3CC[N@H+](C4CCCC4)C3)c2cc1C ZINC000644550430 1028544289 /nfs/dbraw/zinc/54/42/89/1028544289.db2.gz VQNMUGRPXPAJFU-HKUYNNGSSA-N 1 3 356.514 2.621 20 0 FFADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc([C@H]2CCCCN2C)cn1 ZINC001162728751 1028635658 /nfs/dbraw/zinc/63/56/58/1028635658.db2.gz HHRJNDLXGUTACE-MSOLQXFVSA-N 1 3 362.518 2.782 20 0 FFADHO CCN(CC)CCNC(=[NH2+])NC(Cl)(Cl)Oc1ccc(Cl)nc1 ZINC001163128914 1028814594 /nfs/dbraw/zinc/81/45/94/1028814594.db2.gz DJWBMVPHGPSPSF-UHFFFAOYSA-N 1 3 368.696 2.658 20 0 FFADHO CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1N[C@@H]1CNCc2ccsc21 ZINC001163220164 1028845216 /nfs/dbraw/zinc/84/52/16/1028845216.db2.gz BAYSHHHUWAPMTE-CQSZACIVSA-N 1 3 359.499 2.843 20 0 FFADHO CCOC(=O)c1cc2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cn2c1 ZINC001164212138 1029204560 /nfs/dbraw/zinc/20/45/60/1029204560.db2.gz ZGGWIIFWNZMRLI-UHFFFAOYSA-N 1 3 358.486 2.554 20 0 FFADHO CN(C)C1(CNc2cccc(-c3ncc4ncccn43)c2)CC[NH+](C)CC1 ZINC001164216650 1029208844 /nfs/dbraw/zinc/20/88/44/1029208844.db2.gz HBZFDLJZZMDDQE-UHFFFAOYSA-N 1 3 364.497 2.834 20 0 FFADHO COc1cc2cccnc2c(N(c2cc(CN)ncn2)[C@@H](C)CCC[NH3+])c1 ZINC001156751126 1029334084 /nfs/dbraw/zinc/33/40/84/1029334084.db2.gz ZSWYHZGZMPLZIL-AWEZNQCLSA-N 1 3 366.469 2.758 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)c2cccc(CC[NH+](C)C)c2)cc1 ZINC001157520589 1029606887 /nfs/dbraw/zinc/60/68/87/1029606887.db2.gz CIFHXOTWVHBVDH-NRFANRHFSA-N 1 3 369.509 2.832 20 0 FFADHO N[C@H](CC(=O)N1CCC[C@](F)(C[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC001157742622 1029653988 /nfs/dbraw/zinc/65/39/88/1029653988.db2.gz CSCXRNYGYQVEJL-GDBMZVCRSA-N 1 3 361.383 2.775 20 0 FFADHO CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001111891475 1029685299 /nfs/dbraw/zinc/68/52/99/1029685299.db2.gz UBOZPEJYFCWINS-ZJOUEHCJSA-N 1 3 365.562 2.647 20 0 FFADHO CC(C)OCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001111891475 1029685303 /nfs/dbraw/zinc/68/53/03/1029685303.db2.gz UBOZPEJYFCWINS-ZJOUEHCJSA-N 1 3 365.562 2.647 20 0 FFADHO N[C@@H]1CC[N@@H+](C2CCN(c3ncnc4c3ccn4C3CCCC3)CC2)C1 ZINC001158260420 1029776682 /nfs/dbraw/zinc/77/66/82/1029776682.db2.gz DRKOYJGJLPQOLO-OAHLLOKOSA-N 1 3 354.502 2.548 20 0 FFADHO N[C@@H]1CC[N@H+](C2CCN(c3ncnc4c3ccn4C3CCCC3)CC2)C1 ZINC001158260420 1029776686 /nfs/dbraw/zinc/77/66/86/1029776686.db2.gz DRKOYJGJLPQOLO-OAHLLOKOSA-N 1 3 354.502 2.548 20 0 FFADHO [NH3+][C@H]1CCN(C2CCN(c3nc(N4CCCC4)cc4ccccc43)CC2)C1 ZINC001158270966 1029781277 /nfs/dbraw/zinc/78/12/77/1029781277.db2.gz WHQFZXRCGSTILT-SFHVURJKSA-N 1 3 365.525 2.837 20 0 FFADHO O=C([C@@H]1CCC[C@H](c2ccccc2)N1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335310 1029801323 /nfs/dbraw/zinc/80/13/23/1029801323.db2.gz RGLKLXTXZNSUNB-LNRXMEIDSA-N 1 3 361.489 2.968 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@@H](C)c2c(F)cccc2F)CC[N@@H+]1C ZINC001158413368 1029823130 /nfs/dbraw/zinc/82/31/30/1029823130.db2.gz YQJDGCSPJJQOLB-GRDNDAEWSA-N 1 3 353.457 2.852 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCCN[C@@H](C)c2c(F)cccc2F)CC[N@H+]1C ZINC001158413368 1029823137 /nfs/dbraw/zinc/82/31/37/1029823137.db2.gz YQJDGCSPJJQOLB-GRDNDAEWSA-N 1 3 353.457 2.852 20 0 FFADHO Cc1ccncc1CN1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004280 1029852873 /nfs/dbraw/zinc/85/28/73/1029852873.db2.gz UHIMOAHSPHJTKJ-UNMCSNQZSA-N 1 3 370.541 2.737 20 0 FFADHO c1ccc(CN2CC(CNc3ccc4c([C@H]5CCC[NH2+]5)nnn4c3)C2)cc1 ZINC001165454438 1029987015 /nfs/dbraw/zinc/98/70/15/1029987015.db2.gz NAPJIIFJZNYARW-LJQANCHMSA-N 1 3 362.481 2.698 20 0 FFADHO C[NH+](C)CCCOc1ccc(NCC2CN(Cc3ccccc3)C2)cn1 ZINC001165468889 1029991094 /nfs/dbraw/zinc/99/10/94/1029991094.db2.gz JISUHXFJQAXKKS-UHFFFAOYSA-N 1 3 354.498 2.956 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C2)CC[N@@H+]1C ZINC001112103341 1030014154 /nfs/dbraw/zinc/01/41/54/1030014154.db2.gz AJPQEDRDWXSVQO-ZJIFWQFVSA-N 1 3 361.452 2.662 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C2)CC[N@H+]1C ZINC001112103341 1030014168 /nfs/dbraw/zinc/01/41/68/1030014168.db2.gz AJPQEDRDWXSVQO-ZJIFWQFVSA-N 1 3 361.452 2.662 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112117953 1030043393 /nfs/dbraw/zinc/04/33/93/1030043393.db2.gz LANUHLFKQYOCEY-FKIISCEGSA-N 1 3 363.468 2.908 20 0 FFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166271 1030131235 /nfs/dbraw/zinc/13/12/35/1030131235.db2.gz MBPCJPURNVXSIY-LDUWWUQZSA-N 1 3 361.452 2.663 20 0 FFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166273 1030131922 /nfs/dbraw/zinc/13/19/22/1030131922.db2.gz MBPCJPURNVXSIY-VCMBOFEFSA-N 1 3 361.452 2.663 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001112198143 1030216570 /nfs/dbraw/zinc/21/65/70/1030216570.db2.gz CTOGIMRQUVWLAV-ZIAGYGMSSA-N 1 3 351.457 2.743 20 0 FFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCC(F)(F)F)C2)CCC1 ZINC001112397255 1030740976 /nfs/dbraw/zinc/74/09/76/1030740976.db2.gz ZBRUOLHLGMVHBI-HOCLYGCPSA-N 1 3 361.452 2.641 20 0 FFADHO CCN1CCN(c2cccc(NC(=O)NCC3([NH2+]C)CCCCC3)c2)CC1 ZINC001203729311 1030851408 /nfs/dbraw/zinc/85/14/08/1030851408.db2.gz XWLGQXBNINXOSD-UHFFFAOYSA-N 1 3 373.545 2.872 20 0 FFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001142848217 1030951886 /nfs/dbraw/zinc/95/18/86/1030951886.db2.gz CZFSWCIMLOFCAV-DLBZAZTESA-N 1 3 367.484 2.975 20 0 FFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)oc1C ZINC001204534132 1031343673 /nfs/dbraw/zinc/34/36/73/1031343673.db2.gz RYTGTXYBRPTGGQ-WOJBJXKFSA-N 1 3 359.514 2.804 20 0 FFADHO CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000843358933 1031350213 /nfs/dbraw/zinc/35/02/13/1031350213.db2.gz HRMQQKLBQWLWPC-BDTNDASRSA-N 1 3 374.500 2.748 20 0 FFADHO CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000843358933 1031350221 /nfs/dbraw/zinc/35/02/21/1031350221.db2.gz HRMQQKLBQWLWPC-BDTNDASRSA-N 1 3 374.500 2.748 20 0 FFADHO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000843358933 1031350232 /nfs/dbraw/zinc/35/02/32/1031350232.db2.gz HRMQQKLBQWLWPC-BDTNDASRSA-N 1 3 374.500 2.748 20 0 FFADHO CC(C)(C)c1ccc(CCNC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363899 1031355846 /nfs/dbraw/zinc/35/58/46/1031355846.db2.gz SCNBAOPYVOHFRA-UHFFFAOYSA-N 1 3 357.542 2.718 20 0 FFADHO C[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000843364274 1031355948 /nfs/dbraw/zinc/35/59/48/1031355948.db2.gz ZADCQJADIOIRDM-QGZVFWFLSA-N 1 3 355.526 2.818 20 0 FFADHO Cc1ccc2c(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc(=O)oc2c1C ZINC000843389322 1031371272 /nfs/dbraw/zinc/37/12/72/1031371272.db2.gz OJMFUQLGUFHFAO-NQIIRXRSSA-N 1 3 356.466 2.738 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000798480077 1031428342 /nfs/dbraw/zinc/42/83/42/1031428342.db2.gz FJGPOQLHPGUMMV-OAQYLSRUSA-N 1 3 358.530 2.636 20 0 FFADHO CCN1CCCN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798480077 1031428349 /nfs/dbraw/zinc/42/83/49/1031428349.db2.gz FJGPOQLHPGUMMV-OAQYLSRUSA-N 1 3 358.530 2.636 20 0 FFADHO CCN(CC)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]CC2CC2)C1 ZINC001205318429 1031666804 /nfs/dbraw/zinc/66/68/04/1031666804.db2.gz CWFLHINNWCVZFC-VQTJNVASSA-N 1 3 361.505 2.852 20 0 FFADHO CCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cccc(F)c1 ZINC001205415474 1031727907 /nfs/dbraw/zinc/72/79/07/1031727907.db2.gz WSCQILKTIBODTB-RBUKOAKNSA-N 1 3 361.505 2.994 20 0 FFADHO COc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Br)cc1O ZINC001205628866 1031885259 /nfs/dbraw/zinc/88/52/59/1031885259.db2.gz XKBMXMIRAHPJTD-NEPJUHHUSA-N 1 3 357.292 2.970 20 0 FFADHO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@@](O)(CN)C3)cc2)cc1 ZINC001205726546 1031956009 /nfs/dbraw/zinc/95/60/09/1031956009.db2.gz USFOBDGQEUFWTE-JOCHJYFZSA-N 1 3 368.477 2.816 20 0 FFADHO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@@](O)(CN)C3)cc2)cc1 ZINC001205726546 1031956021 /nfs/dbraw/zinc/95/60/21/1031956021.db2.gz USFOBDGQEUFWTE-JOCHJYFZSA-N 1 3 368.477 2.816 20 0 FFADHO COC(=O)c1ccc(-c2ccc(CN3CCCC[C@@](O)(C[NH3+])C3)cc2)cc1 ZINC001205726546 1031956032 /nfs/dbraw/zinc/95/60/32/1031956032.db2.gz USFOBDGQEUFWTE-JOCHJYFZSA-N 1 3 368.477 2.816 20 0 FFADHO [NH3+]C[C@]1(O)CCCCN(Cc2cccc3cc(Br)cnc32)C1 ZINC001205725400 1031957061 /nfs/dbraw/zinc/95/70/61/1031957061.db2.gz GWCRMEAQESKYLN-QGZVFWFLSA-N 1 3 364.287 2.673 20 0 FFADHO NC[C@]1(O)CCCC[N@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001205725400 1031957067 /nfs/dbraw/zinc/95/70/67/1031957067.db2.gz GWCRMEAQESKYLN-QGZVFWFLSA-N 1 3 364.287 2.673 20 0 FFADHO NC[C@]1(O)CCCC[N@@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001205725400 1031957085 /nfs/dbraw/zinc/95/70/85/1031957085.db2.gz GWCRMEAQESKYLN-QGZVFWFLSA-N 1 3 364.287 2.673 20 0 FFADHO O=C(CC1(c2ccccc2F)CC[NH2+]CC1)Nc1cc([C@H]2CCCN2)no1 ZINC001218713193 1033297151 /nfs/dbraw/zinc/29/71/51/1033297151.db2.gz RGTAZWIWJJHYOP-MRXNPFEDSA-N 1 3 372.444 2.888 20 0 FFADHO Cc1nsc(C)c1CN1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387800 1033422467 /nfs/dbraw/zinc/42/24/67/1033422467.db2.gz NNZNJGOJTUVESJ-AEFFLSMTSA-N 1 3 364.559 2.525 20 0 FFADHO COc1cccc([C@H](N)CC(=O)Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)c1 ZINC001219236538 1033567902 /nfs/dbraw/zinc/56/79/02/1033567902.db2.gz WIENRWSXXJSWPO-OXJNMPFZSA-N 1 3 368.481 2.651 20 0 FFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(F)c1N1CCCCC1 ZINC001219297379 1033590016 /nfs/dbraw/zinc/59/00/16/1033590016.db2.gz OCGSYCVIWJIRCB-INIZCTEOSA-N 1 3 350.482 2.814 20 0 FFADHO C[C@@H]1CCN[C@@H](C(=O)Nc2c(F)cccc2OCC2CC[NH+](C)CC2)C1 ZINC001219299093 1033590249 /nfs/dbraw/zinc/59/02/49/1033590249.db2.gz IMCQGTPDUITGOK-RHSMWYFYSA-N 1 3 363.477 2.873 20 0 FFADHO CCSCC[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001276940440 1033690839 /nfs/dbraw/zinc/69/08/39/1033690839.db2.gz WDJILZLNEWHJSQ-UHFFFAOYSA-N 1 3 361.555 2.682 20 0 FFADHO CC(=O)O[C@@H]1C[C@@H]2C[C@H](O[C@H](CC[NH+](C)C)c3ccccc3)C[C@H]1N2C ZINC001224133885 1033733059 /nfs/dbraw/zinc/73/30/59/1033733059.db2.gz ODBVJELWWBMKDN-WRTQPQOASA-N 1 3 360.498 2.863 20 0 FFADHO CC1(C)[C@H](C[NH3+])C[C@@H]1C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669232 1033740863 /nfs/dbraw/zinc/74/08/63/1033740863.db2.gz QSXDGASQXOBOMX-VQTJNVASSA-N 1 3 357.542 2.678 20 0 FFADHO Cc1ccc(CSC[C@H](N)C(=O)NCc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001219705925 1033773464 /nfs/dbraw/zinc/77/34/64/1033773464.db2.gz SPALSCRMNWZDMS-FQEVSTJZSA-N 1 3 369.534 2.518 20 0 FFADHO CCC[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001219954802 1033905921 /nfs/dbraw/zinc/90/59/21/1033905921.db2.gz SLKFFQPFHQUVDY-IBGZPJMESA-N 1 3 361.530 2.724 20 0 FFADHO CCCN(C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC001220615346 1034286480 /nfs/dbraw/zinc/28/64/80/1034286480.db2.gz ZLTYYTSZAJDSKM-RTBURBONSA-N 1 3 352.567 2.869 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H](CC)C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC001220618625 1034294015 /nfs/dbraw/zinc/29/40/15/1034294015.db2.gz ABAAXTCLYDPALI-LEWJYISDSA-N 1 3 372.557 2.997 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCN1C ZINC001220883688 1034440620 /nfs/dbraw/zinc/44/06/20/1034440620.db2.gz WIKQBXLEDDIVGJ-MBOZVWFJSA-N 1 3 358.530 2.810 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCN1C ZINC001220883688 1034440625 /nfs/dbraw/zinc/44/06/25/1034440625.db2.gz WIKQBXLEDDIVGJ-MBOZVWFJSA-N 1 3 358.530 2.810 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)C[NH+]3CCCC3)C2)cc1 ZINC001221165005 1034584397 /nfs/dbraw/zinc/58/43/97/1034584397.db2.gz CDXOAKCZQQVSRT-ICSRJNTNSA-N 1 3 358.530 2.600 20 0 FFADHO O=C(C[C@@H]1CCNC[C@H]1F)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205520 1034601168 /nfs/dbraw/zinc/60/11/68/1034601168.db2.gz XUTKHNCXESIVON-IPELMVKDSA-N 1 3 365.468 2.710 20 0 FFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCc1c[nH]c2cccc(Cl)c12 ZINC001221321551 1034675127 /nfs/dbraw/zinc/67/51/27/1034675127.db2.gz SEQHGGCMLVXZTR-INIZCTEOSA-N 1 3 364.921 2.976 20 0 FFADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408246 1034719239 /nfs/dbraw/zinc/71/92/39/1034719239.db2.gz HMUIHAAEPJFGBB-VXKWHMMOSA-N 1 3 363.505 2.728 20 0 FFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC001226565212 1034738661 /nfs/dbraw/zinc/73/86/61/1034738661.db2.gz WXSDKNURLGJEJF-GUDVDZBRSA-N 1 3 364.509 2.587 20 0 FFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC001226564401 1034738946 /nfs/dbraw/zinc/73/89/46/1034738946.db2.gz LLIPESRGKMEAQD-IPMKNSEASA-N 1 3 364.509 2.587 20 0 FFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCC(C)C ZINC001226613954 1034757091 /nfs/dbraw/zinc/75/70/91/1034757091.db2.gz OFVBQVRRMZNRHE-AQNXPRMDSA-N 1 3 367.578 2.941 20 0 FFADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001226799926 1034844158 /nfs/dbraw/zinc/84/41/58/1034844158.db2.gz GRJDJJWYEUNXEN-NJDAHSKKSA-N 1 3 357.542 2.895 20 0 FFADHO CCn1ccc2ccc(CN3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)cc21 ZINC001139121797 1034953333 /nfs/dbraw/zinc/95/33/33/1034953333.db2.gz BTKNLFCGWNDRER-IFMALSPDSA-N 1 3 371.525 2.830 20 0 FFADHO CCn1ccc2ccc(CN3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)cc21 ZINC001139121797 1034953337 /nfs/dbraw/zinc/95/33/37/1034953337.db2.gz BTKNLFCGWNDRER-IFMALSPDSA-N 1 3 371.525 2.830 20 0 FFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001221772014 1035053902 /nfs/dbraw/zinc/05/39/02/1035053902.db2.gz LMYUVHNRZGMLHP-WOJBJXKFSA-N 1 3 355.526 2.624 20 0 FFADHO Cc1cccc([C@H](C)N2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)c1 ZINC001221772064 1035055234 /nfs/dbraw/zinc/05/52/34/1035055234.db2.gz MNLPWNKKNHBOCB-DFQSSKMNSA-N 1 3 355.526 2.931 20 0 FFADHO CC1([NH+]2CCC2)CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000834780085 1035447914 /nfs/dbraw/zinc/44/79/14/1035447914.db2.gz DQDITFHBMYKMOS-UISNHOIMSA-N 1 3 356.466 2.814 20 0 FFADHO C[NH+]1CCC(CN2CCN(Cc3ccnc(C(F)(F)F)c3)CC2)CC1 ZINC001232244659 1035517727 /nfs/dbraw/zinc/51/77/27/1035517727.db2.gz TVVGFMIMWLXONU-UHFFFAOYSA-N 1 3 356.436 2.560 20 0 FFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCOCC1)N(C)C ZINC001228444549 1036117015 /nfs/dbraw/zinc/11/70/15/1036117015.db2.gz CPKISCHQOKSUKL-VAMGGRTRSA-N 1 3 367.578 2.796 20 0 FFADHO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001228603733 1036201456 /nfs/dbraw/zinc/20/14/56/1036201456.db2.gz SLWUNGPCTUOIHQ-MBOZVWFJSA-N 1 3 371.541 2.641 20 0 FFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC001229175088 1036534417 /nfs/dbraw/zinc/53/44/17/1036534417.db2.gz XGJHNCFSDJEXJK-WOJBJXKFSA-N 1 3 367.578 2.942 20 0 FFADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC001229808750 1036912977 /nfs/dbraw/zinc/91/29/77/1036912977.db2.gz XMTXIFPUUPAPKA-QZTJIDSGSA-N 1 3 366.937 2.984 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001234148477 1036942170 /nfs/dbraw/zinc/94/21/70/1036942170.db2.gz LXRLYFYJPLJURY-AZUAARDMSA-N 1 3 374.529 2.614 20 0 FFADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001234148477 1036942181 /nfs/dbraw/zinc/94/21/81/1036942181.db2.gz LXRLYFYJPLJURY-AZUAARDMSA-N 1 3 374.529 2.614 20 0 FFADHO Cc1oncc1CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230335337 1037232466 /nfs/dbraw/zinc/23/24/66/1037232466.db2.gz TZRVPKFNUHYAOC-RTBURBONSA-N 1 3 362.518 2.766 20 0 FFADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001230341673 1037235976 /nfs/dbraw/zinc/23/59/76/1037235976.db2.gz RKQZSFAVQTZDMM-QZTJIDSGSA-N 1 3 364.559 2.926 20 0 FFADHO COC(CN1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1)OC ZINC001207254152 1037284381 /nfs/dbraw/zinc/28/43/81/1037284381.db2.gz BHOZCRJFHDRNJR-UHFFFAOYSA-N 1 3 362.514 2.751 20 0 FFADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3CCc2ccccc2F)CC1 ZINC001207497955 1037496288 /nfs/dbraw/zinc/49/62/88/1037496288.db2.gz FKVUILQLOCJQOF-NHCUHLMSSA-N 1 3 373.516 2.775 20 0 FFADHO CCOC(=O)[C@@]12CN(Cc3ccc(F)c(C)c3F)C[C@@H]1CC[NH2+]CC2 ZINC001235353378 1037500275 /nfs/dbraw/zinc/50/02/75/1037500275.db2.gz ZLPCWWLOELCDOT-KXBFYZLASA-N 1 3 352.425 2.638 20 0 FFADHO COc1cc(CN(C)Cc2cccc(CN3CC[NH2+]CC3)c2)cc(OC)c1 ZINC001235665590 1037671661 /nfs/dbraw/zinc/67/16/61/1037671661.db2.gz PBKQSTOYPZNURR-UHFFFAOYSA-N 1 3 369.509 2.741 20 0 FFADHO Brc1cccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC001235689943 1037684773 /nfs/dbraw/zinc/68/47/73/1037684773.db2.gz ITBGTFNZWQBMSC-MRXNPFEDSA-N 1 3 366.347 2.956 20 0 FFADHO C[N@@H+]1CCC[C@H](CN2CCN[C@@H](c3cccc(Br)c3)C2)C1 ZINC001235796744 1037747947 /nfs/dbraw/zinc/74/79/47/1037747947.db2.gz VGOIQLZMVRSQNA-WMLDXEAASA-N 1 3 352.320 2.737 20 0 FFADHO C[N@H+]1CCC[C@H](CN2CCN[C@@H](c3cccc(Br)c3)C2)C1 ZINC001235796744 1037747955 /nfs/dbraw/zinc/74/79/55/1037747955.db2.gz VGOIQLZMVRSQNA-WMLDXEAASA-N 1 3 352.320 2.737 20 0 FFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(CC3(C)CCOCC3)CC[C@@H]21 ZINC001207968149 1037906425 /nfs/dbraw/zinc/90/64/25/1037906425.db2.gz NPLINNQYARJCKA-AABGKKOBSA-N 1 3 360.546 2.873 20 0 FFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(CC3(C)CCOCC3)CC[C@@H]21 ZINC001207968149 1037906431 /nfs/dbraw/zinc/90/64/31/1037906431.db2.gz NPLINNQYARJCKA-AABGKKOBSA-N 1 3 360.546 2.873 20 0 FFADHO CC(C)N1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CC3(C)CCOCC3)CC[C@@H]21 ZINC001207968149 1037906433 /nfs/dbraw/zinc/90/64/33/1037906433.db2.gz NPLINNQYARJCKA-AABGKKOBSA-N 1 3 360.546 2.873 20 0 FFADHO CC(C)N1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CC3(C)CCOCC3)CC[C@@H]21 ZINC001207968149 1037906437 /nfs/dbraw/zinc/90/64/37/1037906437.db2.gz NPLINNQYARJCKA-AABGKKOBSA-N 1 3 360.546 2.873 20 0 FFADHO Cc1cc(Br)ccc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236128951 1037943285 /nfs/dbraw/zinc/94/32/85/1037943285.db2.gz RDAJGFKKZMZTLY-UHFFFAOYSA-N 1 3 352.320 2.627 20 0 FFADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001236232098 1037996365 /nfs/dbraw/zinc/99/63/65/1037996365.db2.gz BAKHTAGWSSDGLJ-HSZRJFAPSA-N 1 3 365.521 2.665 20 0 FFADHO CSc1ncc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(NC2CCCC2)n1 ZINC001236317161 1038040462 /nfs/dbraw/zinc/04/04/62/1038040462.db2.gz UNQPIKFGFUZSOZ-GASCZTMLSA-N 1 3 361.559 2.984 20 0 FFADHO FC(F)(F)Oc1ccc2[nH]c(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)nc2c1 ZINC001236322329 1038044612 /nfs/dbraw/zinc/04/46/12/1038044612.db2.gz XWFZIMUKJHVBLE-TXEJJXNPSA-N 1 3 354.376 2.893 20 0 FFADHO COc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)cc1O ZINC001236321310 1038045098 /nfs/dbraw/zinc/04/50/98/1038045098.db2.gz HVDYHIZACQHZJS-TXEJJXNPSA-N 1 3 355.276 2.595 20 0 FFADHO COC(=O)c1cc(Br)cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321417 1038045840 /nfs/dbraw/zinc/04/58/40/1038045840.db2.gz QWLCKXSNKNTUEC-OKILXGFUSA-N 1 3 367.287 2.667 20 0 FFADHO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1)CC1CC1 ZINC001255631584 1038093302 /nfs/dbraw/zinc/09/33/02/1038093302.db2.gz YXIYVAXWVJHRGL-APWZRJJASA-N 1 3 350.551 2.623 20 0 FFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2C)CC1)CC1CC1 ZINC001255631584 1038093322 /nfs/dbraw/zinc/09/33/22/1038093322.db2.gz YXIYVAXWVJHRGL-APWZRJJASA-N 1 3 350.551 2.623 20 0 FFADHO C[NH+](C)CC1(CN2CCN3C[C@@H](Oc4ccccc4)C[C@@H]3C2)CCCC1 ZINC001208186382 1038123986 /nfs/dbraw/zinc/12/39/86/1038123986.db2.gz JQLUHURQFREEJO-CTNGQTDRSA-N 1 3 357.542 2.946 20 0 FFADHO COc1cccc(O[C@H]2CCCN(Cc3cc4c(s3)C[NH2+]CC4)C2)n1 ZINC001236536918 1038125473 /nfs/dbraw/zinc/12/54/73/1038125473.db2.gz QPNVTFJHXCAUJZ-HNNXBMFYSA-N 1 3 359.495 2.841 20 0 FFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232146174 1038195312 /nfs/dbraw/zinc/19/53/12/1038195312.db2.gz KHIYURKWRDMMIX-OAQYLSRUSA-N 1 3 363.521 2.963 20 0 FFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232146174 1038195319 /nfs/dbraw/zinc/19/53/19/1038195319.db2.gz KHIYURKWRDMMIX-OAQYLSRUSA-N 1 3 363.521 2.963 20 0 FFADHO Cn1cc(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(C2CC2)n1 ZINC001232170366 1038225659 /nfs/dbraw/zinc/22/56/59/1038225659.db2.gz PRNIQOKBOHLUKS-UHFFFAOYSA-N 1 3 368.529 2.538 20 0 FFADHO COc1cccc(OC)c1CN1CCC(N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001255935029 1038262688 /nfs/dbraw/zinc/26/26/88/1038262688.db2.gz DHSATSBITBPZJX-SFHVURJKSA-N 1 3 361.530 2.694 20 0 FFADHO CCN(CC)CC[C@@H](C)[NH2+]CCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255953543 1038270414 /nfs/dbraw/zinc/27/04/14/1038270414.db2.gz LKCPHGFPSXSJOR-IAGOWNOFSA-N 1 3 357.539 2.722 20 0 FFADHO CCN(CC)CC[C@H](C)[NH2+]CCO[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255953545 1038270530 /nfs/dbraw/zinc/27/05/30/1038270530.db2.gz LKCPHGFPSXSJOR-IRXDYDNUSA-N 1 3 357.539 2.722 20 0 FFADHO C[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434809 1038313310 /nfs/dbraw/zinc/31/33/10/1038313310.db2.gz CSUXDMYSBWRZJA-ZMYBRWDISA-N 1 3 359.489 2.591 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCc1ccc(Cl)cc1)CC2 ZINC001208739839 1038503416 /nfs/dbraw/zinc/50/34/16/1038503416.db2.gz CIZCPKPKXKIPRG-UHFFFAOYSA-N 1 3 373.928 2.707 20 0 FFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCc1ccc(Cl)cc1)CC2 ZINC001208739839 1038503422 /nfs/dbraw/zinc/50/34/22/1038503422.db2.gz CIZCPKPKXKIPRG-UHFFFAOYSA-N 1 3 373.928 2.707 20 0 FFADHO CN(C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001256444613 1038516115 /nfs/dbraw/zinc/51/61/15/1038516115.db2.gz IDTTXNQUWBEDDQ-WOZUAGRISA-N 1 3 370.541 2.633 20 0 FFADHO CN(C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001256444613 1038516128 /nfs/dbraw/zinc/51/61/28/1038516128.db2.gz IDTTXNQUWBEDDQ-WOZUAGRISA-N 1 3 370.541 2.633 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2ccc(F)cc2F)C2CC2)CC[N@@H+]1C ZINC001276590004 1038542596 /nfs/dbraw/zinc/54/25/96/1038542596.db2.gz UNVOZDFTPKAWBF-QXAKKESOSA-N 1 3 365.468 2.680 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCc2ccc(F)cc2F)C2CC2)CC[N@H+]1C ZINC001276590004 1038542600 /nfs/dbraw/zinc/54/26/00/1038542600.db2.gz UNVOZDFTPKAWBF-QXAKKESOSA-N 1 3 365.468 2.680 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536493 1038549937 /nfs/dbraw/zinc/54/99/37/1038549937.db2.gz HXYWGGOSQNDYRV-MYGYKHERSA-N 1 3 374.525 2.722 20 0 FFADHO CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256536493 1038549949 /nfs/dbraw/zinc/54/99/49/1038549949.db2.gz HXYWGGOSQNDYRV-MYGYKHERSA-N 1 3 374.525 2.722 20 0 FFADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)C3CCOCC3)CC2)CC1 ZINC001256565451 1038562869 /nfs/dbraw/zinc/56/28/69/1038562869.db2.gz HCLNHQYONJKNIV-UHFFFAOYSA-N 1 3 365.562 2.504 20 0 FFADHO c1ccc(CN2CCC(N(c3ncccn3)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001256611363 1038579576 /nfs/dbraw/zinc/57/95/76/1038579576.db2.gz QMSQGGNUPFVGTR-FQEVSTJZSA-N 1 3 351.498 2.700 20 0 FFADHO CC[NH+](CC)CCCN1CCN([C@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256654964 1038594253 /nfs/dbraw/zinc/59/42/53/1038594253.db2.gz UBNHFXCVWPKKOW-FQEVSTJZSA-N 1 3 359.558 2.902 20 0 FFADHO Cc1ccccc1CN1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256681603 1038600078 /nfs/dbraw/zinc/60/00/78/1038600078.db2.gz YQYXWFICNZXRRN-ORFBVSJDSA-N 1 3 357.542 2.802 20 0 FFADHO c1ccc(N2CCC(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)nc1 ZINC001256686386 1038602375 /nfs/dbraw/zinc/60/23/75/1038602375.db2.gz OVKFKAHAGLMLLX-UHFFFAOYSA-N 1 3 358.530 2.531 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@@H+]3CCC[C@H](Oc4cnccn4)C3)C2)cc1 ZINC001208963023 1038608941 /nfs/dbraw/zinc/60/89/41/1038608941.db2.gz OBIHCQMAYATLKM-PMACEKPBSA-N 1 3 352.482 2.842 20 0 FFADHO c1ccc(CN2CC[C@@H](C[N@H+]3CCC[C@H](Oc4cnccn4)C3)C2)cc1 ZINC001208963023 1038608946 /nfs/dbraw/zinc/60/89/46/1038608946.db2.gz OBIHCQMAYATLKM-PMACEKPBSA-N 1 3 352.482 2.842 20 0 FFADHO CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208976445 1038614333 /nfs/dbraw/zinc/61/43/33/1038614333.db2.gz RBANWOLRUSSLGO-FSSWDIPSSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208976445 1038614335 /nfs/dbraw/zinc/61/43/35/1038614335.db2.gz RBANWOLRUSSLGO-FSSWDIPSSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208976445 1038614339 /nfs/dbraw/zinc/61/43/39/1038614339.db2.gz RBANWOLRUSSLGO-FSSWDIPSSA-N 1 3 355.526 2.699 20 0 FFADHO CC(=O)N1CCC[C@H](CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001208976445 1038614341 /nfs/dbraw/zinc/61/43/41/1038614341.db2.gz RBANWOLRUSSLGO-FSSWDIPSSA-N 1 3 355.526 2.699 20 0 FFADHO COC(=O)CCCCCCCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001209098767 1038664579 /nfs/dbraw/zinc/66/45/79/1038664579.db2.gz VRUAEJSZQUGXMU-UHFFFAOYSA-N 1 3 367.578 2.994 20 0 FFADHO COC(=O)CC1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001256979722 1038668275 /nfs/dbraw/zinc/66/82/75/1038668275.db2.gz WCPXCUWVTXSECF-UHFFFAOYSA-N 1 3 352.519 2.589 20 0 FFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCc3ccc4c(c3)CCO4)C2)C1 ZINC001209144770 1038683557 /nfs/dbraw/zinc/68/35/57/1038683557.db2.gz RFMZOGBBFXUYDT-FYYLOGMGSA-N 1 3 370.537 2.844 20 0 FFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCc3ccc4c(c3)CCO4)C2)C1 ZINC001209144770 1038683561 /nfs/dbraw/zinc/68/35/61/1038683561.db2.gz RFMZOGBBFXUYDT-FYYLOGMGSA-N 1 3 370.537 2.844 20 0 FFADHO CCN1C[C@@H]2C[NH+](C[C@H](O)COCc3c(Cl)cccc3Cl)C[C@H]2C1 ZINC001250906777 1038801518 /nfs/dbraw/zinc/80/15/18/1038801518.db2.gz LKRIUIWBYRWZHV-KFWWJZLASA-N 1 3 373.324 2.754 20 0 FFADHO CCOC(=O)C1CCC(O)(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001251057692 1038916679 /nfs/dbraw/zinc/91/66/79/1038916679.db2.gz YXTOJPXXHHRGQS-SCCNAQOGSA-N 1 3 366.546 2.811 20 0 FFADHO CCOC(=O)C1CCC(O)(C[N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001251057692 1038916693 /nfs/dbraw/zinc/91/66/93/1038916693.db2.gz YXTOJPXXHHRGQS-SCCNAQOGSA-N 1 3 366.546 2.811 20 0 FFADHO c1cc([C@]23CC[NH2+][C@@H]2COCC3)ccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245423490 1039000459 /nfs/dbraw/zinc/00/04/59/1039000459.db2.gz IHVLJJSNZFKZOO-DNVJHFABSA-N 1 3 368.521 2.975 20 0 FFADHO C[C@H](C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1)CC(F)(F)F ZINC001276658241 1039064509 /nfs/dbraw/zinc/06/45/09/1039064509.db2.gz ZAJWVYVDDQOKPP-RDJZCZTQSA-N 1 3 363.468 2.841 20 0 FFADHO C[C@H](C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1)CC(F)(F)F ZINC001276658241 1039064524 /nfs/dbraw/zinc/06/45/24/1039064524.db2.gz ZAJWVYVDDQOKPP-RDJZCZTQSA-N 1 3 363.468 2.841 20 0 FFADHO O[C@H](CN[C@H](C1CC1)C1C[NH2+]C1)COc1cccc2[nH]c3ccccc3c21 ZINC001246018933 1039194695 /nfs/dbraw/zinc/19/46/95/1039194695.db2.gz HNRYDICEKZQADC-OPAMFIHVSA-N 1 3 365.477 2.648 20 0 FFADHO C[C@@H]1[C@H](C[NH3+])CCCN1C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001246027094 1039200689 /nfs/dbraw/zinc/20/06/89/1039200689.db2.gz WPMVNLXMYCWUHR-HHXXYDBFSA-N 1 3 362.514 2.561 20 0 FFADHO CC(C)(C)c1ccc(C(=O)OC[C@H](O)CN2CC3(C2)CCC[NH2+]CC3)cc1 ZINC001246047312 1039217115 /nfs/dbraw/zinc/21/71/15/1039217115.db2.gz RVTWNTDCYIIUCS-LJQANCHMSA-N 1 3 374.525 2.577 20 0 FFADHO Brc1ccc2c(c1)C[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)C2 ZINC001246152084 1039257998 /nfs/dbraw/zinc/25/79/98/1039257998.db2.gz OFJCXCVUBIHXDQ-KSZLIROESA-N 1 3 365.315 2.665 20 0 FFADHO Brc1ccc2c(c1)C[C@@H](NC[C@@]13CCCO[C@@H]1CC[NH2+]C3)C2 ZINC001246152084 1039258009 /nfs/dbraw/zinc/25/80/09/1039258009.db2.gz OFJCXCVUBIHXDQ-KSZLIROESA-N 1 3 365.315 2.665 20 0 FFADHO C[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCS(=O)(=O)CC2)CN1 ZINC001246387046 1039333587 /nfs/dbraw/zinc/33/35/87/1039333587.db2.gz ARCLESHJDHJTHY-YOEHRIQHSA-N 1 3 370.946 2.560 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H](CC2CC[NH2+]CC2)c2ccccc2)CN1 ZINC001246395586 1039336421 /nfs/dbraw/zinc/33/64/21/1039336421.db2.gz NTXLAKMAFWSJFI-AQNXPRMDSA-N 1 3 373.541 2.779 20 0 FFADHO CCC(CC)[C@@H]([NH2+][C@@H](C)CCC(C)C)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246418311 1039345870 /nfs/dbraw/zinc/34/58/70/1039345870.db2.gz YSISYBAPVHIYEY-HJODOSNWSA-N 1 3 356.551 2.703 20 0 FFADHO C[C@H]1C[N@@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C[C@H]1CN ZINC001246544808 1039390239 /nfs/dbraw/zinc/39/02/39/1039390239.db2.gz ZJQIQNHYQFZMIR-OFOKGCAXSA-N 1 3 355.526 2.844 20 0 FFADHO C[C@H]1C[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C[C@H]1CN ZINC001246544808 1039390248 /nfs/dbraw/zinc/39/02/48/1039390248.db2.gz ZJQIQNHYQFZMIR-OFOKGCAXSA-N 1 3 355.526 2.844 20 0 FFADHO C[C@H](Cc1cccc(Br)c1)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246630763 1039421789 /nfs/dbraw/zinc/42/17/89/1039421789.db2.gz LLQRCDDUEPCMRK-FRFSOERESA-N 1 3 353.304 2.690 20 0 FFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(CCOC(C)C)C[C@H]1C ZINC001210236087 1039439977 /nfs/dbraw/zinc/43/99/77/1039439977.db2.gz JWQFECCZLULTHZ-RTBURBONSA-N 1 3 355.567 2.750 20 0 FFADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCC(=O)N(Cc4ccccc4)CC3)C[C@H]2C1 ZINC001258591189 1039444601 /nfs/dbraw/zinc/44/46/01/1039444601.db2.gz QGPOCOITPNWOBQ-NJDAHSKKSA-N 1 3 355.526 2.841 20 0 FFADHO CC(C)(C)[C@@H]1C[C@@H](N2CCCn3cnc(CNC4CCC4)c3C2)CC[NH2+]1 ZINC001246729168 1039454932 /nfs/dbraw/zinc/45/49/32/1039454932.db2.gz BWNQPJNCRJFCSF-PXNSSMCTSA-N 1 3 359.562 2.898 20 0 FFADHO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCN[C@@H](C)C3)O2)cs1 ZINC001246734382 1039456965 /nfs/dbraw/zinc/45/69/65/1039456965.db2.gz XOLZJDCDLSRGNL-BHWRABCJSA-N 1 3 365.543 2.731 20 0 FFADHO Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CCN[C@@H](C)C3)O2)cs1 ZINC001246734382 1039456975 /nfs/dbraw/zinc/45/69/75/1039456975.db2.gz XOLZJDCDLSRGNL-BHWRABCJSA-N 1 3 365.543 2.731 20 0 FFADHO CC[C@@H]1C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246807000 1039486856 /nfs/dbraw/zinc/48/68/56/1039486856.db2.gz PVYCPVMHEYWDRK-IXDOHACOSA-N 1 3 352.320 2.926 20 0 FFADHO COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1C ZINC001210426578 1039542501 /nfs/dbraw/zinc/54/25/01/1039542501.db2.gz IICZYIKEYPUMQJ-VQIMIIECSA-N 1 3 361.530 2.672 20 0 FFADHO COC(=O)[C@H]1CN([C@@H](C)CCc2ccc3cc(OC)ccc3c2)CC[C@@H]1[NH3+] ZINC001246947152 1039543702 /nfs/dbraw/zinc/54/37/02/1039543702.db2.gz JACKZZUKECDXMI-JHVJFLLYSA-N 1 3 370.493 2.992 20 0 FFADHO CC(C)OC[C@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001252675474 1039643249 /nfs/dbraw/zinc/64/32/49/1039643249.db2.gz HTXZFECYGJTJHF-HXUWFJFHSA-N 1 3 361.530 2.544 20 0 FFADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(OC)cc2)CC1 ZINC001252720745 1039663168 /nfs/dbraw/zinc/66/31/68/1039663168.db2.gz IBWMLBGZLQLIDM-GOSISDBHSA-N 1 3 350.503 2.631 20 0 FFADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(OC)cc2)CC1 ZINC001252720745 1039663173 /nfs/dbraw/zinc/66/31/73/1039663173.db2.gz IBWMLBGZLQLIDM-GOSISDBHSA-N 1 3 350.503 2.631 20 0 FFADHO CCCN(C[C@H](O)C[NH+](CC)CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001253192010 1040035118 /nfs/dbraw/zinc/03/51/18/1040035118.db2.gz HXIGYZLJFRSNCG-QZTJIDSGSA-N 1 3 371.566 2.658 20 0 FFADHO CCN(CC)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001253193688 1040035374 /nfs/dbraw/zinc/03/53/74/1040035374.db2.gz HOGUUPCETCVIBJ-SLFFLAALSA-N 1 3 362.514 2.500 20 0 FFADHO CCN(CC)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001253193688 1040035388 /nfs/dbraw/zinc/03/53/88/1040035388.db2.gz HOGUUPCETCVIBJ-SLFFLAALSA-N 1 3 362.514 2.500 20 0 FFADHO CC[NH+](CC)C[C@H](O)CN(C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001253195525 1040037313 /nfs/dbraw/zinc/03/73/13/1040037313.db2.gz QCEUJKLXOUKJGG-DAWZGUTISA-N 1 3 371.566 2.799 20 0 FFADHO CN(C[C@H](O)C[NH2+]C(C)(C)C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001253396151 1040151132 /nfs/dbraw/zinc/15/11/32/1040151132.db2.gz SYZGMUHODKOWQJ-OFLPRAFFSA-N 1 3 371.566 2.845 20 0 FFADHO Cc1cnc(CN2C[C@@H]3CC[N@@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)s1 ZINC001278720103 1040168464 /nfs/dbraw/zinc/16/84/64/1040168464.db2.gz LFVJJSRZDDKVNM-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO Cc1cnc(CN2C[C@@H]3CC[N@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)s1 ZINC001278720103 1040168483 /nfs/dbraw/zinc/16/84/83/1040168483.db2.gz LFVJJSRZDDKVNM-IYBDPMFKSA-N 1 3 358.511 2.896 20 0 FFADHO OC1(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038127 1040538261 /nfs/dbraw/zinc/53/82/61/1040538261.db2.gz ZCZXZHPINQOYPI-OAQYLSRUSA-N 1 3 367.493 2.562 20 0 FFADHO OC1(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)CCN(Cc2ccccc2)CC1 ZINC001254038127 1040538282 /nfs/dbraw/zinc/53/82/82/1040538282.db2.gz ZCZXZHPINQOYPI-OAQYLSRUSA-N 1 3 367.493 2.562 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254039091 1040540174 /nfs/dbraw/zinc/54/01/74/1040540174.db2.gz YXVBWWOFLNJIBK-LJQANCHMSA-N 1 3 374.525 2.677 20 0 FFADHO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254039091 1040540196 /nfs/dbraw/zinc/54/01/96/1040540196.db2.gz YXVBWWOFLNJIBK-LJQANCHMSA-N 1 3 374.525 2.677 20 0 FFADHO Cc1nnc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)o1 ZINC001254039794 1040542078 /nfs/dbraw/zinc/54/20/78/1040542078.db2.gz KDUKPIDWVQNYSJ-UHFFFAOYSA-N 1 3 370.497 2.585 20 0 FFADHO OC1(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)CCN(Cc2ccccc2)CC1 ZINC001254041597 1040544308 /nfs/dbraw/zinc/54/43/08/1040544308.db2.gz MDOJUKFQEZCJTH-FQEVSTJZSA-N 1 3 367.493 2.562 20 0 FFADHO OC1(C[N@H+]2CC[C@H](Oc3ccccn3)C2)CCN(Cc2ccccc2)CC1 ZINC001254041597 1040544325 /nfs/dbraw/zinc/54/43/25/1040544325.db2.gz MDOJUKFQEZCJTH-FQEVSTJZSA-N 1 3 367.493 2.562 20 0 FFADHO CC[C@H](C(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434632 1040549656 /nfs/dbraw/zinc/54/96/56/1040549656.db2.gz JIMLJTOFDFLQHK-VAMGGRTRSA-N 1 3 365.562 2.813 20 0 FFADHO O[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC001254051216 1040551838 /nfs/dbraw/zinc/55/18/38/1040551838.db2.gz BZNYFLUQMAREFC-HXUWFJFHSA-N 1 3 374.912 2.990 20 0 FFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C3C[C@@H]4CC(=O)C[C@H]4C3)CC[C@@H]21 ZINC001254950838 1041065994 /nfs/dbraw/zinc/06/59/94/1041065994.db2.gz XYLUFCSBAJGFPO-WOWXTULXSA-N 1 3 370.541 2.814 20 0 FFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C3C[C@@H]4CC(=O)C[C@H]4C3)CC[C@@H]21 ZINC001254950838 1041066011 /nfs/dbraw/zinc/06/60/11/1041066011.db2.gz XYLUFCSBAJGFPO-WOWXTULXSA-N 1 3 370.541 2.814 20 0 FFADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213932163 1041084072 /nfs/dbraw/zinc/08/40/72/1041084072.db2.gz XNMIFUNQGSSBGN-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H](OC)C1 ZINC001213932163 1041084091 /nfs/dbraw/zinc/08/40/91/1041084091.db2.gz XNMIFUNQGSSBGN-AQNXPRMDSA-N 1 3 367.578 2.749 20 0 FFADHO CN(C)C(=O)NC1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255410523 1041328176 /nfs/dbraw/zinc/32/81/76/1041328176.db2.gz YMVNXZHRZHNUKD-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CN(C)C(=O)NC1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255410523 1041328186 /nfs/dbraw/zinc/32/81/86/1041328186.db2.gz YMVNXZHRZHNUKD-FQEVSTJZSA-N 1 3 358.530 2.777 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001214997699 1041639065 /nfs/dbraw/zinc/63/90/65/1041639065.db2.gz LYIPDWPBRHEGJK-DBXWQHBBSA-N 1 3 371.569 2.958 20 0 FFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](OC)c2ccccc2)C1 ZINC001214998507 1041639991 /nfs/dbraw/zinc/63/99/91/1041639991.db2.gz XNJOTSRMMAYPRX-BHIYHBOVSA-N 1 3 361.530 2.541 20 0 FFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001215550922 1041825967 /nfs/dbraw/zinc/82/59/67/1041825967.db2.gz JPFOCLAJPZTIHW-MRRRUUNJSA-N 1 3 355.526 2.868 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OC(C)C)C1 ZINC001216499479 1042041948 /nfs/dbraw/zinc/04/19/48/1042041948.db2.gz KVHONBIVECLFDX-IEBWSBKVSA-N 1 3 361.530 2.752 20 0 FFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001216511191 1042044898 /nfs/dbraw/zinc/04/48/98/1042044898.db2.gz MDKHHAYOJWSSIH-LVCYWYKZSA-N 1 3 357.542 2.570 20 0 FFADHO N[C@H]1CCCn2nc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cc21 ZINC001263113620 1042110666 /nfs/dbraw/zinc/11/06/66/1042110666.db2.gz OVUHDWWNZDHGHQ-KRWDZBQOSA-N 1 3 353.470 2.567 20 0 FFADHO COCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829280 1042138611 /nfs/dbraw/zinc/13/86/11/1042138611.db2.gz ULRGDVNGLZDXRT-YLJYHZDGSA-N 1 3 361.530 2.615 20 0 FFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1)[NH+]1CCCC1 ZINC001216846726 1042142817 /nfs/dbraw/zinc/14/28/17/1042142817.db2.gz VVKPVEPBNUPOJN-IIAWOOMASA-N 1 3 362.345 2.862 20 0 FFADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cc(F)cc(F)c3)C2)CCC1 ZINC001263905258 1042522786 /nfs/dbraw/zinc/52/27/86/1042522786.db2.gz RMPRQDOKTJOFLP-KBXCAEBGSA-N 1 3 365.468 2.824 20 0 FFADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C)N(CC)CC ZINC001264718808 1042799919 /nfs/dbraw/zinc/79/99/19/1042799919.db2.gz BABMFVRWBTYHMN-NZSAHSFTSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C)N(CC)CC ZINC001264718808 1042799924 /nfs/dbraw/zinc/79/99/24/1042799924.db2.gz BABMFVRWBTYHMN-NZSAHSFTSA-N 1 3 353.551 2.503 20 0 FFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2[C@H](c3ccccc3)C2(F)F)C1)N(C)C ZINC001265503383 1042864180 /nfs/dbraw/zinc/86/41/80/1042864180.db2.gz SBHQILPOYNNHPI-TXTZMMAHSA-N 1 3 365.468 2.612 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090989 1042903193 /nfs/dbraw/zinc/90/31/93/1042903193.db2.gz YHGPZABQZIUEKK-PXNSSMCTSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090989 1042903197 /nfs/dbraw/zinc/90/31/97/1042903197.db2.gz YHGPZABQZIUEKK-PXNSSMCTSA-N 1 3 369.550 2.603 20 0 FFADHO C[C@H]1CCCCN1CCC[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000705090989 1042903198 /nfs/dbraw/zinc/90/31/98/1042903198.db2.gz YHGPZABQZIUEKK-PXNSSMCTSA-N 1 3 369.550 2.603 20 0 FFADHO CCOc1ccc(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)c(F)c1F ZINC001279144149 1042918179 /nfs/dbraw/zinc/91/81/79/1042918179.db2.gz OUIOGGHBQZCHMN-UHFFFAOYSA-N 1 3 367.484 2.823 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@H+](Cc4cccc(=O)[nH]4)C3)CC2)cn1 ZINC001279161197 1042925754 /nfs/dbraw/zinc/92/57/54/1042925754.db2.gz ICOHCJBGTMWZII-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO Cc1ccc(CN2CCC3(CC[N@@H+](Cc4cccc(=O)[nH]4)C3)CC2)cn1 ZINC001279161197 1042925758 /nfs/dbraw/zinc/92/57/58/1042925758.db2.gz ICOHCJBGTMWZII-UHFFFAOYSA-N 1 3 352.482 2.979 20 0 FFADHO CN(C)CC[NH+]1CCC2(CC1)CN(Cc1ccc[nH]1)Cc1ccccc12 ZINC001279164101 1042926247 /nfs/dbraw/zinc/92/62/47/1042926247.db2.gz ULXNBGMAPIEHSY-UHFFFAOYSA-N 1 3 352.526 2.926 20 0 FFADHO Cc1cc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c(C)cc1O ZINC001279238079 1042960442 /nfs/dbraw/zinc/96/04/42/1042960442.db2.gz OBYSZHMNFSEGTI-UHFFFAOYSA-N 1 3 354.498 2.804 20 0 FFADHO c1n[nH]cc1C[N@H+]1CCC2(C1)CCN(Cc1c[nH]c3cccnc13)CC2 ZINC001279270802 1042976513 /nfs/dbraw/zinc/97/65/13/1042976513.db2.gz UWWSCYGSIWVXLQ-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO c1n[nH]cc1C[N@@H+]1CCC2(C1)CCN(Cc1c[nH]c3cccnc13)CC2 ZINC001279270802 1042976517 /nfs/dbraw/zinc/97/65/17/1042976517.db2.gz UWWSCYGSIWVXLQ-UHFFFAOYSA-N 1 3 350.470 2.774 20 0 FFADHO Cc1ncoc1CN1CCC2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001279359018 1043025649 /nfs/dbraw/zinc/02/56/49/1043025649.db2.gz RRRBFLUPRNDRKJ-UHFFFAOYSA-N 1 3 356.470 2.962 20 0 FFADHO Cc1ncoc1CN1CCC2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001279359018 1043025651 /nfs/dbraw/zinc/02/56/51/1043025651.db2.gz RRRBFLUPRNDRKJ-UHFFFAOYSA-N 1 3 356.470 2.962 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4ncccc4C)C[C@H]3CC2)n(C)n1 ZINC001279380593 1043039645 /nfs/dbraw/zinc/03/96/45/1043039645.db2.gz WYCYYICRAKQPOC-KDURUIRLSA-N 1 3 353.514 2.776 20 0 FFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4ncccc4C)C[C@H]3CC2)n(C)n1 ZINC001279380593 1043039649 /nfs/dbraw/zinc/03/96/49/1043039649.db2.gz WYCYYICRAKQPOC-KDURUIRLSA-N 1 3 353.514 2.776 20 0 FFADHO CCOc1cccc(CN[C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c1 ZINC001279451290 1043130583 /nfs/dbraw/zinc/13/05/83/1043130583.db2.gz MJUAASRXNCXHEJ-LEWJYISDSA-N 1 3 359.514 2.698 20 0 FFADHO Cc1cc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cc(C)n1 ZINC001279454412 1043134553 /nfs/dbraw/zinc/13/45/53/1043134553.db2.gz DDGKMCDFINMSHX-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO Cc1cc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cc(C)n1 ZINC001279454412 1043134557 /nfs/dbraw/zinc/13/45/57/1043134557.db2.gz DDGKMCDFINMSHX-UHFFFAOYSA-N 1 3 353.514 2.883 20 0 FFADHO Nc1ccc(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c(Cl)c1 ZINC001279497089 1043186285 /nfs/dbraw/zinc/18/62/85/1043186285.db2.gz KRAKSWQMYWTBIE-UHFFFAOYSA-N 1 3 359.905 2.717 20 0 FFADHO CC[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C=CCC=C2C)CC1 ZINC001279498386 1043189869 /nfs/dbraw/zinc/18/98/69/1043189869.db2.gz GIFLGLNUSKLLFU-HBMCJLEFSA-N 1 3 357.542 2.916 20 0 FFADHO Cc1ncsc1CN[C@@]12CC[C@@]([NH2+]Cc3cnc(N)nc3)(C1)CCC2 ZINC001279531332 1043231363 /nfs/dbraw/zinc/23/13/63/1043231363.db2.gz HEGKEEOBDNCXOX-MSOLQXFVSA-N 1 3 358.515 2.549 20 0 FFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ncc(C(F)(F)F)[nH]3)(C1)CCC2 ZINC001279640172 1043382937 /nfs/dbraw/zinc/38/29/37/1043382937.db2.gz IICPAZMSCQYELL-JKSUJKDBSA-N 1 3 359.440 2.515 20 0 FFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(-n2ccnc2)cc1Cl ZINC001279657620 1043414691 /nfs/dbraw/zinc/41/46/91/1043414691.db2.gz VRGMKMLEDGQMTF-PMACEKPBSA-N 1 3 373.932 2.736 20 0 FFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(-n2ccnc2)cc1Cl ZINC001279657620 1043414696 /nfs/dbraw/zinc/41/46/96/1043414696.db2.gz VRGMKMLEDGQMTF-PMACEKPBSA-N 1 3 373.932 2.736 20 0 FFADHO Nc1cccc(CN2CCC[C@]3(CCC[N@H+](CCn4ccnc4)C3)C2)c1 ZINC001279699752 1043493103 /nfs/dbraw/zinc/49/31/03/1043493103.db2.gz OXCNLYAEFBIAJB-NRFANRHFSA-N 1 3 353.514 2.844 20 0 FFADHO Nc1cccc(CN2CCC[C@]3(CCC[N@@H+](CCn4ccnc4)C3)C2)c1 ZINC001279699752 1043493113 /nfs/dbraw/zinc/49/31/13/1043493113.db2.gz OXCNLYAEFBIAJB-NRFANRHFSA-N 1 3 353.514 2.844 20 0 FFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3cnn4ccccc34)C2)C1 ZINC001279716808 1043518461 /nfs/dbraw/zinc/51/84/61/1043518461.db2.gz QKMBWJSXKFSYQE-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3cnn4ccccc34)C2)C1 ZINC001279716808 1043518472 /nfs/dbraw/zinc/51/84/72/1043518472.db2.gz QKMBWJSXKFSYQE-OAQYLSRUSA-N 1 3 355.530 2.574 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@H]2CCC3(C2)CCN(Cc2ccc[nH]2)CC3)CC1 ZINC001279771609 1043616524 /nfs/dbraw/zinc/61/65/24/1043616524.db2.gz PAHPMNRKFGTMSB-KRWDZBQOSA-N 1 3 358.530 2.607 20 0 FFADHO CCN(C(=O)C[C@H]1C[C@@H]2C[N@H+](CCCN3CCCCC3)C[C@@H]2O1)C(C)C ZINC001279842218 1043758002 /nfs/dbraw/zinc/75/80/02/1043758002.db2.gz AHKLHIQSXZZACX-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO CCN(C(=O)C[C@H]1C[C@@H]2C[N@@H+](CCCN3CCCCC3)C[C@@H]2O1)C(C)C ZINC001279842218 1043758014 /nfs/dbraw/zinc/75/80/14/1043758014.db2.gz AHKLHIQSXZZACX-AQNXPRMDSA-N 1 3 365.562 2.599 20 0 FFADHO CCc1cccc(CC)c1NC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239361317 1044103008 /nfs/dbraw/zinc/10/30/08/1044103008.db2.gz DEGRUYURSGIFNX-KRWDZBQOSA-N 1 3 360.571 2.972 20 0 FFADHO FC(F)(F)c1cccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239364469 1044104110 /nfs/dbraw/zinc/10/41/10/1044104110.db2.gz YYJUBZNPEMMWNP-AWEZNQCLSA-N 1 3 372.460 2.866 20 0 FFADHO Cc1ncsc1C[N@@H+]1CCC[C@@]2(CCCN(C[C@H]3COCCO3)C2)C1 ZINC001280028593 1044104755 /nfs/dbraw/zinc/10/47/55/1044104755.db2.gz NBACEPZXPIWVPB-PKOBYXMFSA-N 1 3 365.543 2.545 20 0 FFADHO Cc1ncsc1C[N@H+]1CCC[C@@]2(CCCN(C[C@H]3COCCO3)C2)C1 ZINC001280028593 1044104758 /nfs/dbraw/zinc/10/47/58/1044104758.db2.gz NBACEPZXPIWVPB-PKOBYXMFSA-N 1 3 365.543 2.545 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC001280053460 1044141798 /nfs/dbraw/zinc/14/17/98/1044141798.db2.gz PVVXXYRPLMVGNC-YESZJQIVSA-N 1 3 364.559 2.510 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNCc3nc(C)cs3)C2)CC[N@H+]1C ZINC001280053460 1044141804 /nfs/dbraw/zinc/14/18/04/1044141804.db2.gz PVVXXYRPLMVGNC-YESZJQIVSA-N 1 3 364.559 2.510 20 0 FFADHO CCN(C(=O)[C@@H]1CCSC12CN(CCC1CC[NH+](C)CC1)C2)C(C)C ZINC001280142331 1044289389 /nfs/dbraw/zinc/28/93/89/1044289389.db2.gz VHLKYQZNEAIFOZ-SFHVURJKSA-N 1 3 367.603 2.783 20 0 FFADHO CN1CCN(Cc2cccc(-c3ccc(OCCC[NH+](C)C)nc3)c2)CC1 ZINC001240298499 1044304518 /nfs/dbraw/zinc/30/45/18/1044304518.db2.gz DFYYCKLWNKLZHH-UHFFFAOYSA-N 1 3 368.525 2.827 20 0 FFADHO CN1CCN(Cc2ccc(-c3cccc(CN4CC[C@H]([NH3+])C4)c3)cc2)CC1 ZINC001240408257 1044333738 /nfs/dbraw/zinc/33/37/38/1044333738.db2.gz GCEDKVJWSYCCCA-QHCPKHFHSA-N 1 3 364.537 2.634 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C[C@H](C)c1ccccc1)C2 ZINC001280192852 1044379463 /nfs/dbraw/zinc/37/94/63/1044379463.db2.gz DCJOGCDXXXWAPN-ICSRJNTNSA-N 1 3 357.542 2.912 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C[C@@H](C)c1ccccc1)C2 ZINC001280192854 1044379661 /nfs/dbraw/zinc/37/96/61/1044379661.db2.gz DCJOGCDXXXWAPN-QUCCMNQESA-N 1 3 357.542 2.912 20 0 FFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C[C@H](C)c1ccccc1)C2 ZINC001280192850 1044379774 /nfs/dbraw/zinc/37/97/74/1044379774.db2.gz DCJOGCDXXXWAPN-AZUAARDMSA-N 1 3 357.542 2.912 20 0 FFADHO CN(Cc1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)nc1)C1CC1 ZINC001240814447 1044435755 /nfs/dbraw/zinc/43/57/55/1044435755.db2.gz QDYMEYWPOYHMMN-UHFFFAOYSA-N 1 3 362.477 2.916 20 0 FFADHO COc1cc(F)c(CN2CCC3(C[NH+](CCN(C)C)C3)CC2)cc1Cl ZINC001280234561 1044439999 /nfs/dbraw/zinc/43/99/99/1044439999.db2.gz SUDJNWLJNYHUIJ-UHFFFAOYSA-N 1 3 369.912 2.947 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4nsnc4c3)CC2)CC1 ZINC001280259334 1044488020 /nfs/dbraw/zinc/48/80/20/1044488020.db2.gz KFTHZJWNABMRAK-UHFFFAOYSA-N 1 3 373.526 2.826 20 0 FFADHO c1ccc(CN2CC=C(c3cnc(O[C@@H]4CCC[NH2+]C4)nc3)CC2)cc1 ZINC001241504303 1044530708 /nfs/dbraw/zinc/53/07/08/1044530708.db2.gz RDJIWEYIBKYJGO-HXUWFJFHSA-N 1 3 350.466 2.897 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCc2cc(C)ns2)C2CC2)CC[N@@H+]1C ZINC001318698475 1044814851 /nfs/dbraw/zinc/81/48/51/1044814851.db2.gz LSMCXHJPWPEMMK-YQVWRLOYSA-N 1 3 364.559 2.556 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCc2cc(C)ns2)C2CC2)CC[N@H+]1C ZINC001318698475 1044814872 /nfs/dbraw/zinc/81/48/72/1044814872.db2.gz LSMCXHJPWPEMMK-YQVWRLOYSA-N 1 3 364.559 2.556 20 0 FFADHO CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]Cc1cccnc1)N(C)C ZINC001316717214 1044824920 /nfs/dbraw/zinc/82/49/20/1044824920.db2.gz NXLKXLSMJSUOLC-MISYRCLQSA-N 1 3 360.546 2.919 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCCc1c(F)cccc1F ZINC001316737746 1044873568 /nfs/dbraw/zinc/87/35/68/1044873568.db2.gz XZBQFINCRMWTEI-RBUKOAKNSA-N 1 3 367.484 2.818 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(C(F)F)cc2)CC[N@@H+]1C ZINC001317445799 1045093543 /nfs/dbraw/zinc/09/35/43/1045093543.db2.gz JWQKHBKJMKIXFH-DLBZAZTESA-N 1 3 353.457 2.903 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC001317445799 1045093551 /nfs/dbraw/zinc/09/35/51/1045093551.db2.gz JWQKHBKJMKIXFH-DLBZAZTESA-N 1 3 353.457 2.903 20 0 FFADHO COc1cccc([C@@H](C)N(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001317553369 1045109275 /nfs/dbraw/zinc/10/92/75/1045109275.db2.gz VNBZUUYXYXXXJF-JXXFODFXSA-N 1 3 359.514 2.677 20 0 FFADHO COc1cccc([C@@H](C)N(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c1 ZINC001317553369 1045109279 /nfs/dbraw/zinc/10/92/79/1045109279.db2.gz VNBZUUYXYXXXJF-JXXFODFXSA-N 1 3 359.514 2.677 20 0 FFADHO Cn1cc(N2CC[C@@H](NCC(C)(C)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC001320663246 1045445482 /nfs/dbraw/zinc/44/54/82/1045445482.db2.gz CKAQHXJPXMARDX-LJQANCHMSA-N 1 3 355.530 2.747 20 0 FFADHO Cn1cc(N2CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC001320663246 1045445484 /nfs/dbraw/zinc/44/54/84/1045445484.db2.gz CKAQHXJPXMARDX-LJQANCHMSA-N 1 3 355.530 2.747 20 0 FFADHO Cc1ccc(CN2CCCN(C(=S)NCC3CC[NH+](C)CC3)CC2)cc1 ZINC001321071066 1045534312 /nfs/dbraw/zinc/53/43/12/1045534312.db2.gz XNTGCMGPJGXMBI-UHFFFAOYSA-N 1 3 374.598 2.719 20 0 FFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001321843969 1045831121 /nfs/dbraw/zinc/83/11/21/1045831121.db2.gz HKHGGJQNOWNWEC-VQTJNVASSA-N 1 3 360.546 2.941 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCOc2ccc(C)cc2)CC[N@@H+]1C ZINC001322161472 1045974412 /nfs/dbraw/zinc/97/44/12/1045974412.db2.gz UVZHPUPHQBQDRC-YSIASYRMSA-N 1 3 361.530 2.541 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCOc2ccc(C)cc2)CC[N@H+]1C ZINC001322161472 1045974418 /nfs/dbraw/zinc/97/44/18/1045974418.db2.gz UVZHPUPHQBQDRC-YSIASYRMSA-N 1 3 361.530 2.541 20 0 FFADHO CCCOc1cccc(CNC(=O)CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326310711 1046867082 /nfs/dbraw/zinc/86/70/82/1046867082.db2.gz IQTHLXHQXIZPKF-UHFFFAOYSA-N 1 3 359.514 2.557 20 0 FFADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)CC1 ZINC001332721962 1048527261 /nfs/dbraw/zinc/52/72/61/1048527261.db2.gz ACHZNQARZODGKK-OAQYLSRUSA-N 1 3 373.541 2.577 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc(Cl)n1 ZINC001333311596 1048827948 /nfs/dbraw/zinc/82/79/48/1048827948.db2.gz UJLWTKWUSQLMLA-PBHICJAKSA-N 1 3 373.888 2.566 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccco1 ZINC001333588733 1048993850 /nfs/dbraw/zinc/99/38/50/1048993850.db2.gz YKCLSXKRFMQLPJ-QKLQHJQFSA-N 1 3 362.518 2.884 20 0 FFADHO O[C@@]1(C2CC2)CC[N@@H+](Cc2ccc(F)c(CN3CC[C@](O)(C4CC4)C3)c2)C1 ZINC001330598243 1049222600 /nfs/dbraw/zinc/22/26/00/1049222600.db2.gz KQLQVKRTQVZFGG-FCHUYYIVSA-N 1 3 374.500 2.519 20 0 FFADHO O[C@@]1(C2CC2)CC[N@H+](Cc2ccc(F)c(CN3CC[C@](O)(C4CC4)C3)c2)C1 ZINC001330598243 1049222612 /nfs/dbraw/zinc/22/26/12/1049222612.db2.gz KQLQVKRTQVZFGG-FCHUYYIVSA-N 1 3 374.500 2.519 20 0 FFADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccnc(Cl)c3)C2)CCC1 ZINC001316653307 1049535173 /nfs/dbraw/zinc/53/51/73/1049535173.db2.gz XODLBOIYERNXEV-GOEBONIOSA-N 1 3 364.921 2.594 20 0 FFADHO CCCC[N@H+](C)CCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001294223112 1049712423 /nfs/dbraw/zinc/71/24/23/1049712423.db2.gz BHSOJFFNJHJQIC-UHFFFAOYSA-N 1 3 374.577 2.952 20 0 FFADHO CCCC[N@@H+](C)CCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001294223112 1049712430 /nfs/dbraw/zinc/71/24/30/1049712430.db2.gz BHSOJFFNJHJQIC-UHFFFAOYSA-N 1 3 374.577 2.952 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C)n2CCCCC[NH+]2CCCC2)C[C@@H]1C ZINC001295981877 1050008484 /nfs/dbraw/zinc/00/84/84/1050008484.db2.gz SGTBPMYCOLOGTD-ROUUACIJSA-N 1 3 362.566 2.772 20 0 FFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001316660465 1050076223 /nfs/dbraw/zinc/07/62/23/1050076223.db2.gz PQKUWFAJWUNXKO-OXFYSEKESA-N 1 3 361.505 2.850 20 0 FFADHO C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)N(C)Cc1ccccc1 ZINC001339784250 1050205464 /nfs/dbraw/zinc/20/54/64/1050205464.db2.gz KEAWKLHSGCOAQP-HZEGPAAWSA-N 1 3 372.557 2.879 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001297576387 1050228416 /nfs/dbraw/zinc/22/84/16/1050228416.db2.gz LRLSTDBPFNEZDO-FUHWJXTLSA-N 1 3 351.922 2.974 20 0 FFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001297576389 1050228760 /nfs/dbraw/zinc/22/87/60/1050228760.db2.gz LRLSTDBPFNEZDO-SJLPKXTDSA-N 1 3 351.922 2.974 20 0 FFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2c(c1)OCC[NH2+]C2 ZINC001341629586 1050255829 /nfs/dbraw/zinc/25/58/29/1050255829.db2.gz HSZKRVNNKFFWQP-KRWDZBQOSA-N 1 3 371.506 2.797 20 0 FFADHO CN(CCNC(=O)c1cnc(CC2CC[NH2+]CC2)s1)Cc1ccccc1 ZINC001340057493 1050466861 /nfs/dbraw/zinc/46/68/61/1050466861.db2.gz YDXOHTQOLFFWBN-UHFFFAOYSA-N 1 3 372.538 2.547 20 0 FFADHO Cc1cc([C@@H](N)CC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cc(Cl)n1 ZINC001342097219 1050692485 /nfs/dbraw/zinc/69/24/85/1050692485.db2.gz VBPAZPBEJRGMMN-HOTGVXAUSA-N 1 3 364.921 2.943 20 0 FFADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001342111708 1050706252 /nfs/dbraw/zinc/70/62/52/1050706252.db2.gz ATHDMTLKIHIHMM-PWRODBHTSA-N 1 3 370.541 2.578 20 0 FFADHO CCCN(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC001342913338 1051523252 /nfs/dbraw/zinc/52/32/52/1051523252.db2.gz AZSIRZXDUMLGDJ-AZUAARDMSA-N 1 3 361.505 2.837 20 0 FFADHO CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+]1CCCC1 ZINC001305518651 1051903096 /nfs/dbraw/zinc/90/30/96/1051903096.db2.gz LRAHAQWCCOEYBT-KRWDZBQOSA-N 1 3 362.566 2.808 20 0 FFADHO CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+]1CCCC1 ZINC001305518652 1051904007 /nfs/dbraw/zinc/90/40/07/1051904007.db2.gz LRAHAQWCCOEYBT-QGZVFWFLSA-N 1 3 362.566 2.808 20 0 FFADHO C[C@@H]1CN(CCC(=O)N2CCCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001308041441 1052390755 /nfs/dbraw/zinc/39/07/55/1052390755.db2.gz UCLUKAOZTUXUNE-GOSISDBHSA-N 1 3 364.493 2.962 20 0 FFADHO CC[C@@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001308775693 1052498897 /nfs/dbraw/zinc/49/88/97/1052498897.db2.gz RRDFNFNCYYNCQV-VXESANQCSA-N 1 3 369.550 2.913 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](c4ccc(F)cc4)CC3=O)C[C@H]2C1 ZINC001335251906 1053269933 /nfs/dbraw/zinc/26/99/33/1053269933.db2.gz HACLAJGZZIICFE-SOAMZJECSA-N 1 3 359.489 2.761 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H](C)O1 ZINC001335352406 1053312313 /nfs/dbraw/zinc/31/23/13/1053312313.db2.gz VPYXZNFFMQUZBT-HUUCEWRRSA-N 1 3 369.456 2.772 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C[C@H]1CC[NH3+] ZINC001336716530 1054161307 /nfs/dbraw/zinc/16/13/07/1054161307.db2.gz UKZOILUOLQNDBJ-BZUAXINKSA-N 1 3 350.532 2.511 20 0 FFADHO Cc1cccc(N2CCN(CCCCNC(=O)CC[NH2+]C(C)(C)C)CC2)c1 ZINC001543666591 1071521290 /nfs/dbraw/zinc/52/12/90/1071521290.db2.gz DXFLGBQTERXFFH-UHFFFAOYSA-N 1 3 374.573 2.792 20 0 FFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](c4ccccc4F)CC3=O)C[C@H]2C1 ZINC001356057999 1055251704 /nfs/dbraw/zinc/25/17/04/1055251704.db2.gz WBKJEKRTCWWNGK-ZJPYXAASSA-N 1 3 359.489 2.761 20 0 FFADHO Cc1noc2ncc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc12 ZINC001338250109 1055357010 /nfs/dbraw/zinc/35/70/10/1055357010.db2.gz JUEDWCVJTZNWBK-LJQANCHMSA-N 1 3 366.465 2.778 20 0 FFADHO Cc1noc2ncc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc12 ZINC001338250109 1055357017 /nfs/dbraw/zinc/35/70/17/1055357017.db2.gz JUEDWCVJTZNWBK-LJQANCHMSA-N 1 3 366.465 2.778 20 0 FFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001356560592 1055582295 /nfs/dbraw/zinc/58/22/95/1055582295.db2.gz VLPKFTBCEVRVCD-FPOVZHCZSA-N 1 3 356.514 2.751 20 0 FFADHO [NH2+]=C(NC[C@H](O)c1ccccc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000849059309 1055613550 /nfs/dbraw/zinc/61/35/50/1055613550.db2.gz JNEGVYCKHVXPHF-FQEVSTJZSA-N 1 3 370.472 2.638 20 0 FFADHO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCN(C)C3)n2CC2CC2)C1 ZINC001351308471 1056186682 /nfs/dbraw/zinc/18/66/82/1056186682.db2.gz QWAYZUJMUNNEKJ-RTBURBONSA-N 1 3 374.577 2.665 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC001353478449 1056439936 /nfs/dbraw/zinc/43/99/36/1056439936.db2.gz XKMICKHJLHQHMV-HRCADAONSA-N 1 3 350.507 2.786 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001353677349 1056629198 /nfs/dbraw/zinc/62/91/98/1056629198.db2.gz HFYHKZGUQUHBNM-JTDSTZFVSA-N 1 3 357.498 2.646 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001353677349 1056629202 /nfs/dbraw/zinc/62/92/02/1056629202.db2.gz HFYHKZGUQUHBNM-JTDSTZFVSA-N 1 3 357.498 2.646 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)OCC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000847824510 1058168869 /nfs/dbraw/zinc/16/88/69/1058168869.db2.gz QKAVKUNQRYPUEI-GOSISDBHSA-N 1 3 359.514 2.716 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)OCC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000847824510 1058168871 /nfs/dbraw/zinc/16/88/71/1058168871.db2.gz QKAVKUNQRYPUEI-GOSISDBHSA-N 1 3 359.514 2.716 20 0 FFADHO CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H](CC)[NH+]1CCCC1 ZINC001498835818 1058182884 /nfs/dbraw/zinc/18/28/84/1058182884.db2.gz RISLJFLQZFJGPX-BZSNNMDCSA-N 1 3 362.566 2.634 20 0 FFADHO CCN1C[C@@H](C)N(c2nnc(C)n2CC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC001502247460 1058792465 /nfs/dbraw/zinc/79/24/65/1058792465.db2.gz LQIPHQZLSBJMFI-IAGOWNOFSA-N 1 3 362.566 2.770 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCc1c(F)cccc1Cl ZINC001505922623 1059417309 /nfs/dbraw/zinc/41/73/09/1059417309.db2.gz QSWOXPVZYOVSDZ-RBSFLKMASA-N 1 3 369.912 2.798 20 0 FFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCc1c(F)cccc1Cl ZINC001505922623 1059417314 /nfs/dbraw/zinc/41/73/14/1059417314.db2.gz QSWOXPVZYOVSDZ-RBSFLKMASA-N 1 3 369.912 2.798 20 0 FFADHO C[C@]1(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CCN(Cc2ccccc2)C1 ZINC000848548668 1060260968 /nfs/dbraw/zinc/26/09/68/1060260968.db2.gz DVPKPXPDTLDKEG-FCHUYYIVSA-N 1 3 357.542 2.742 20 0 FFADHO N[C@H](C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCCC1 ZINC001355546694 1060348526 /nfs/dbraw/zinc/34/85/26/1060348526.db2.gz INPYWCWORVYMLB-SLYNCCJLSA-N 1 3 357.498 2.656 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2C[C@H]2CC[N@H+](CC)C2)C[C@H]1C ZINC001547659658 1071983286 /nfs/dbraw/zinc/98/32/86/1071983286.db2.gz DRVUMZKHBKNUPD-SQNIBIBYSA-N 1 3 362.566 2.662 20 0 FFADHO CCN1C[C@H](C)N(c2nnc(C(C)C)n2C[C@H]2CC[N@@H+](CC)C2)C[C@H]1C ZINC001547659658 1071983291 /nfs/dbraw/zinc/98/32/91/1071983291.db2.gz DRVUMZKHBKNUPD-SQNIBIBYSA-N 1 3 362.566 2.662 20 0 FFADHO C[NH+](C)Cc1ccc(CN2C[C@@H]3COC[C@]3(C)C2)c2c1OC(F)(F)O2 ZINC001462439278 1061624190 /nfs/dbraw/zinc/62/41/90/1061624190.db2.gz ODPPGHYZKZJLIE-PBHICJAKSA-N 1 3 354.397 2.538 20 0 FFADHO CC(C)[C@H](CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001477288432 1061653866 /nfs/dbraw/zinc/65/38/66/1061653866.db2.gz RSMTVLXEIZKOQH-ICSRJNTNSA-N 1 3 364.578 2.869 20 0 FFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001479033392 1062191378 /nfs/dbraw/zinc/19/13/78/1062191378.db2.gz RNBKXKNWPAKJMM-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001479033392 1062191392 /nfs/dbraw/zinc/19/13/92/1062191392.db2.gz RNBKXKNWPAKJMM-VQTJNVASSA-N 1 3 358.530 2.825 20 0 FFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1)N(C)C ZINC001479486364 1062465599 /nfs/dbraw/zinc/46/55/99/1062465599.db2.gz DRJXXVRQCZKKJP-FCEWJHQRSA-N 1 3 367.484 2.722 20 0 FFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOc1ccccc1 ZINC001479587161 1062589570 /nfs/dbraw/zinc/58/95/70/1062589570.db2.gz YCQMBGULVDBIGN-MOPGFXCFSA-N 1 3 361.530 2.622 20 0 FFADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCOc1cc(C)ccc1C ZINC001479641399 1062693863 /nfs/dbraw/zinc/69/38/63/1062693863.db2.gz YNGCFMPKPPJTJG-RBUKOAKNSA-N 1 3 361.530 2.603 20 0 FFADHO CCc1ccc(CC[N@@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]2C)cc1 ZINC001479724071 1062938638 /nfs/dbraw/zinc/93/86/38/1062938638.db2.gz DAZIBSWOKCFTQF-JRGCBEDISA-N 1 3 359.558 2.957 20 0 FFADHO CCc1ccc(CC[N@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]2C)cc1 ZINC001479724071 1062938661 /nfs/dbraw/zinc/93/86/61/1062938661.db2.gz DAZIBSWOKCFTQF-JRGCBEDISA-N 1 3 359.558 2.957 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(CCc2ccc(Cl)cc2)C2CC2)CC[N@@H+]1C ZINC001493372754 1063143886 /nfs/dbraw/zinc/14/38/86/1063143886.db2.gz PZZPRUKPYDIZGR-DNVCBOLYSA-N 1 3 363.933 2.803 20 0 FFADHO C[C@@H]1[C@H](C(=O)NCCN(CCc2ccc(Cl)cc2)C2CC2)CC[N@H+]1C ZINC001493372754 1063143900 /nfs/dbraw/zinc/14/39/00/1063143900.db2.gz PZZPRUKPYDIZGR-DNVCBOLYSA-N 1 3 363.933 2.803 20 0 FFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC001468143195 1063932666 /nfs/dbraw/zinc/93/26/66/1063932666.db2.gz NQFHRDIGSCRUQC-FPOVZHCZSA-N 1 3 372.557 2.991 20 0 FFADHO Cc1cc(OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(C)c1Cl ZINC001470027009 1064246789 /nfs/dbraw/zinc/24/67/89/1064246789.db2.gz WXFMXHSIZYFCRZ-INIZCTEOSA-N 1 3 369.937 2.724 20 0 FFADHO Cc1cc(OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(C)c1Cl ZINC001470027009 1064246798 /nfs/dbraw/zinc/24/67/98/1064246798.db2.gz WXFMXHSIZYFCRZ-INIZCTEOSA-N 1 3 369.937 2.724 20 0 FFADHO CC(C)CN1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2C[C@H]2CC2(C)C)CC1 ZINC001575598964 1078156189 /nfs/dbraw/zinc/15/61/89/1078156189.db2.gz AFJSEINERGMKNB-ZWKOTPCHSA-N 1 3 374.577 2.569 20 0 FFADHO C[C@](CO)(NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1cc(Cl)cc(Cl)c1 ZINC001576036360 1078189306 /nfs/dbraw/zinc/18/93/06/1078189306.db2.gz IMIAFVVWJGABEY-GVDBMIGSSA-N 1 3 359.297 2.559 20 0 FFADHO CCCC[N@H+](CCC(=O)N1CCN(C)CC1)C1CC(C)(C)NC(C)(C)C1 ZINC001473683674 1065317758 /nfs/dbraw/zinc/31/77/58/1065317758.db2.gz SVNYGVJXWXPAFH-UHFFFAOYSA-N 1 3 366.594 2.562 20 0 FFADHO CCCC[N@@H+](CCC(=O)N1CCN(C)CC1)C1CC(C)(C)NC(C)(C)C1 ZINC001473683674 1065317768 /nfs/dbraw/zinc/31/77/68/1065317768.db2.gz SVNYGVJXWXPAFH-UHFFFAOYSA-N 1 3 366.594 2.562 20 0 FFADHO CC(C)N1CCC[C@@H](N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001473777934 1065355800 /nfs/dbraw/zinc/35/58/00/1065355800.db2.gz KKSWVQSSZSCROD-SJBKTWHCSA-N 1 3 355.526 2.840 20 0 FFADHO CC(C)N1CCC[C@@H](N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001473777934 1065355812 /nfs/dbraw/zinc/35/58/12/1065355812.db2.gz KKSWVQSSZSCROD-SJBKTWHCSA-N 1 3 355.526 2.840 20 0 FFADHO C[NH+](C)CCOCCNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001474121097 1065458834 /nfs/dbraw/zinc/45/88/34/1065458834.db2.gz JWVAARPAFAWZIT-UHFFFAOYSA-N 1 3 370.419 2.618 20 0 FFADHO C[C@@H]1CC[NH2+]CC[C@H]1Nc1ccc(N2CCN(C)CC2)c2ccncc12 ZINC001576753144 1078271166 /nfs/dbraw/zinc/27/11/66/1078271166.db2.gz KXHRTNPNIGLFQQ-VQIMIIECSA-N 1 3 353.514 2.787 20 0 FFADHO CCN(CC)[C@@H](Cn1c(C)nnc1N1CC[NH2+][C@@H](C)C1)c1ccsc1 ZINC001577684989 1078387710 /nfs/dbraw/zinc/38/77/10/1078387710.db2.gz RDSYCXFXORIRIO-YOEHRIQHSA-N 1 3 362.547 2.529 20 0 FFADHO CN(C)[C@H](Cn1c(C2CCC2)nnc1N1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC001578407686 1078470348 /nfs/dbraw/zinc/47/03/48/1078470348.db2.gz BALHQVCJAVHSKE-ZWKOTPCHSA-N 1 3 372.492 2.525 20 0 FFADHO Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc(N2CCN(C(C)C)CC2)c1 ZINC001579632348 1078652684 /nfs/dbraw/zinc/65/26/84/1078652684.db2.gz ARCDVHZVOWPJJG-ZWKOTPCHSA-N 1 3 358.530 2.981 20 0 FFADHO N[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@H]1F ZINC001580392140 1078795880 /nfs/dbraw/zinc/79/58/80/1078795880.db2.gz TYRYIBULBYFMLT-DGDSNLKDSA-N 1 3 374.504 2.653 20 0 FFADHO N[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@H]1F ZINC001580392140 1078795884 /nfs/dbraw/zinc/79/58/84/1078795884.db2.gz TYRYIBULBYFMLT-DGDSNLKDSA-N 1 3 374.504 2.653 20 0 FFADHO [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1c1ccc(F)cc1 ZINC001549029298 1073599922 /nfs/dbraw/zinc/59/99/22/1073599922.db2.gz MXYZQSPKUYMLNX-LEWJYISDSA-N 1 3 367.468 2.988 20 0 FFADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001550266989 1074193725 /nfs/dbraw/zinc/19/37/25/1074193725.db2.gz BYUWWXJXWAJCGX-MJGOQNOKSA-N 1 3 356.514 2.628 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550423245 1074262015 /nfs/dbraw/zinc/26/20/15/1074262015.db2.gz JXZIGKVUOLGGRV-JFRXWTBNSA-N 1 3 352.906 2.918 20 0 FFADHO COc1ccc(Cl)cc1CN[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550423245 1074262017 /nfs/dbraw/zinc/26/20/17/1074262017.db2.gz JXZIGKVUOLGGRV-JFRXWTBNSA-N 1 3 352.906 2.918 20 0 FFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@H]1C(C)C ZINC001550423947 1074262110 /nfs/dbraw/zinc/26/21/10/1074262110.db2.gz UYMUXFNNLZOCEQ-XEYPJELSSA-N 1 3 358.486 2.629 20 0 FFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3ccc(-c4cc[nH]n4)o3)C2)[C@H]1C(C)C ZINC001550423947 1074262112 /nfs/dbraw/zinc/26/21/12/1074262112.db2.gz UYMUXFNNLZOCEQ-XEYPJELSSA-N 1 3 358.486 2.629 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3cccc(F)c3)C[N@@H+]2C1 ZINC001584098899 1079306874 /nfs/dbraw/zinc/30/68/74/1079306874.db2.gz NIUYMOIOVIYBEJ-YVWKXTFCSA-N 1 3 361.505 2.836 20 0 FFADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3cccc(F)c3)C[N@H+]2C1 ZINC001584098899 1079306879 /nfs/dbraw/zinc/30/68/79/1079306879.db2.gz NIUYMOIOVIYBEJ-YVWKXTFCSA-N 1 3 361.505 2.836 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)c1 ZINC001584161592 1079315523 /nfs/dbraw/zinc/31/55/23/1079315523.db2.gz JIECQJNMJIPEFM-LJQANCHMSA-N 1 3 373.541 2.896 20 0 FFADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCC[N@H+](C(C)C)C3)CC2)c1 ZINC001584161592 1079315528 /nfs/dbraw/zinc/31/55/28/1079315528.db2.gz JIECQJNMJIPEFM-LJQANCHMSA-N 1 3 373.541 2.896 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CCN1Cc1ccccc1 ZINC001551548878 1074753517 /nfs/dbraw/zinc/75/35/17/1074753517.db2.gz GJHMCXFWFZPXQQ-FAIWXJIUSA-N 1 3 356.514 2.609 20 0 FFADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc4c3CNC4)CC2)C[C@@H](C)O1 ZINC001552919879 1075172536 /nfs/dbraw/zinc/17/25/36/1075172536.db2.gz PHZPPPRSDQFRJE-IAGOWNOFSA-N 1 3 371.525 2.641 20 0 FFADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc4c3CNC4)CC2)C[C@H](C)O1 ZINC001552919872 1075172570 /nfs/dbraw/zinc/17/25/70/1075172570.db2.gz PHZPPPRSDQFRJE-CALCHBBNSA-N 1 3 371.525 2.641 20 0 FFADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc4c3CNC4)CC2)C[C@H](C)O1 ZINC001552919872 1075172572 /nfs/dbraw/zinc/17/25/72/1075172572.db2.gz PHZPPPRSDQFRJE-CALCHBBNSA-N 1 3 371.525 2.641 20 0 FFADHO COCCCOc1cccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC001560395452 1076269860 /nfs/dbraw/zinc/26/98/60/1076269860.db2.gz OSLYMNFFXZHMBI-SFTDATJTSA-N 1 3 362.514 2.569 20 0 FFADHO COCc1c(Cl)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001562482342 1076498553 /nfs/dbraw/zinc/49/85/53/1076498553.db2.gz GTRZZIFCWONCMB-AWEZNQCLSA-N 1 3 370.925 2.880 20 0 FFADHO COCc1c(Cl)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001562482342 1076498556 /nfs/dbraw/zinc/49/85/56/1076498556.db2.gz GTRZZIFCWONCMB-AWEZNQCLSA-N 1 3 370.925 2.880 20 0 FFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c1 ZINC001566054612 1076881986 /nfs/dbraw/zinc/88/19/86/1076881986.db2.gz DSOWDPREWKPVHZ-RTWAWAEBSA-N 1 3 357.542 2.924 20 0 FFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c1 ZINC001566054612 1076881990 /nfs/dbraw/zinc/88/19/90/1076881990.db2.gz DSOWDPREWKPVHZ-RTWAWAEBSA-N 1 3 357.542 2.924 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C[N@@H+]2C1 ZINC001567120584 1077001965 /nfs/dbraw/zinc/00/19/65/1077001965.db2.gz RSPFNIDCNPYAAX-POAQFYNOSA-N 1 3 371.525 2.702 20 0 FFADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)C[N@H+]2C1 ZINC001567120584 1077001969 /nfs/dbraw/zinc/00/19/69/1077001969.db2.gz RSPFNIDCNPYAAX-POAQFYNOSA-N 1 3 371.525 2.702 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1cc(F)ccc1OC ZINC001567962811 1077062718 /nfs/dbraw/zinc/06/27/18/1077062718.db2.gz VYEZXJJRAUXUIO-FGTMMUONSA-N 1 3 365.493 2.549 20 0 FFADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1cc(F)ccc1OC ZINC001567962811 1077062722 /nfs/dbraw/zinc/06/27/22/1077062722.db2.gz VYEZXJJRAUXUIO-FGTMMUONSA-N 1 3 365.493 2.549 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422906117 513971552 /nfs/dbraw/zinc/97/15/52/513971552.db2.gz JDYSLHHORVDWQB-CZUORRHYSA-N 1 3 368.319 2.515 20 0 FFADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422906117 513971560 /nfs/dbraw/zinc/97/15/60/513971560.db2.gz JDYSLHHORVDWQB-CZUORRHYSA-N 1 3 368.319 2.515 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1cccc(Br)c1 ZINC000423074866 514028332 /nfs/dbraw/zinc/02/83/32/514028332.db2.gz MYCAFVYVNWCJJS-OIISXLGYSA-N 1 3 355.320 2.850 20 0 FFADHO CCN1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272466320 252046393 /nfs/dbraw/zinc/04/63/93/252046393.db2.gz HVTYDVUAOUJLJH-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO CCN1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272466320 252046396 /nfs/dbraw/zinc/04/63/96/252046396.db2.gz HVTYDVUAOUJLJH-AZUAARDMSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1=CCN(C)CC1 ZINC000272703103 252108806 /nfs/dbraw/zinc/10/88/06/252108806.db2.gz GBGDAAYVCJOFMC-WFXMLNOXSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1=CCN(C)CC1 ZINC000272703103 252108810 /nfs/dbraw/zinc/10/88/10/252108810.db2.gz GBGDAAYVCJOFMC-WFXMLNOXSA-N 1 3 370.541 2.847 20 0 FFADHO C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000272731800 252116384 /nfs/dbraw/zinc/11/63/84/252116384.db2.gz KVPDVLKDQYDQBY-SFHVURJKSA-N 1 3 370.541 2.848 20 0 FFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272815789 252137628 /nfs/dbraw/zinc/13/76/28/252137628.db2.gz OAKLGRNLADMHRS-CVNLYIMZSA-N 1 3 371.569 2.864 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000273069208 252207694 /nfs/dbraw/zinc/20/76/94/252207694.db2.gz ZGDIUEPMSDCMJT-MOPGFXCFSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273069208 252207700 /nfs/dbraw/zinc/20/77/00/252207700.db2.gz ZGDIUEPMSDCMJT-MOPGFXCFSA-N 1 3 370.541 2.943 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000273471203 252312673 /nfs/dbraw/zinc/31/26/73/252312673.db2.gz ONCDGBQYRZXGJZ-XLIONFOSSA-N 1 3 360.546 2.531 20 0 FFADHO CN(C(=O)NCC1([NH+](C)C)CCC1)C1CCN(Cc2ccccc2)CC1 ZINC000275668520 256036443 /nfs/dbraw/zinc/03/64/43/256036443.db2.gz SBCNLVSAKIHYMC-UHFFFAOYSA-N 1 3 358.530 2.777 20 0 FFADHO COc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C1CC1 ZINC000277676975 256225479 /nfs/dbraw/zinc/22/54/79/256225479.db2.gz FMEICMOQPPBXGQ-UHFFFAOYSA-N 1 3 371.525 2.861 20 0 FFADHO C[C@@H]1CN(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000278486269 256317813 /nfs/dbraw/zinc/31/78/13/256317813.db2.gz KTRGRWZJEAWABS-LJQANCHMSA-N 1 3 373.541 2.516 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N3CCCC[C@H]3CC[NH3+])cc2)CC1 ZINC000285874843 257009143 /nfs/dbraw/zinc/00/91/43/257009143.db2.gz BRDQYWBXIVOLBH-FQEVSTJZSA-N 1 3 358.530 2.561 20 0 FFADHO C[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000285982637 257014464 /nfs/dbraw/zinc/01/44/64/257014464.db2.gz HUURUDULSSAZPL-KRWDZBQOSA-N 1 3 352.482 2.542 20 0 FFADHO CN1CCN(C)[C@H](CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000286176528 257023924 /nfs/dbraw/zinc/02/39/24/257023924.db2.gz QRFXGNQLQDRRRE-BXXSPATCSA-N 1 3 370.585 2.513 20 0 FFADHO CN1CCN(C)[C@H](CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000286176528 257023925 /nfs/dbraw/zinc/02/39/25/257023925.db2.gz QRFXGNQLQDRRRE-BXXSPATCSA-N 1 3 370.585 2.513 20 0 FFADHO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000287855001 257121502 /nfs/dbraw/zinc/12/15/02/257121502.db2.gz DYWXQCAWMGPCKE-NLWGTHIKSA-N 1 3 358.530 2.805 20 0 FFADHO COC[C@@H](NCCCN1CCC[N@H+](C)CC1)c1cccc(Cl)c1F ZINC000287879902 257124740 /nfs/dbraw/zinc/12/47/40/257124740.db2.gz YISKRTRMCNTXOI-QGZVFWFLSA-N 1 3 357.901 2.784 20 0 FFADHO COC[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1F ZINC000287879902 257124742 /nfs/dbraw/zinc/12/47/42/257124742.db2.gz YISKRTRMCNTXOI-QGZVFWFLSA-N 1 3 357.901 2.784 20 0 FFADHO C[C@H]1C[C@@H](CO)CCN1Cc1ccccc1C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288764069 257225086 /nfs/dbraw/zinc/22/50/86/257225086.db2.gz HSGXBBCWQXSPNH-MUGJNUQGSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H]1C[C@@H](CO)CCN1Cc1ccccc1C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288764069 257225087 /nfs/dbraw/zinc/22/50/87/257225087.db2.gz HSGXBBCWQXSPNH-MUGJNUQGSA-N 1 3 360.542 2.872 20 0 FFADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000290009556 257311362 /nfs/dbraw/zinc/31/13/62/257311362.db2.gz ZPBQKRBBTQWBKU-MOPGFXCFSA-N 1 3 361.530 2.685 20 0 FFADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000290009556 257311363 /nfs/dbraw/zinc/31/13/63/257311363.db2.gz ZPBQKRBBTQWBKU-MOPGFXCFSA-N 1 3 361.530 2.685 20 0 FFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000290158172 257318046 /nfs/dbraw/zinc/31/80/46/257318046.db2.gz NSGYEAYNXHSWTJ-VQTJNVASSA-N 1 3 356.514 2.545 20 0 FFADHO COC[C@H](Cc1ccccc1)NCc1ccncc1OCCC[NH+](C)C ZINC000290232114 257321557 /nfs/dbraw/zinc/32/15/57/257321557.db2.gz ISIGVBUITYQKGO-FQEVSTJZSA-N 1 3 357.498 2.759 20 0 FFADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CC[NH2+][C@H]3C(C)C)CC2)cc1 ZINC000289602108 257289587 /nfs/dbraw/zinc/28/95/87/257289587.db2.gz BQBVGKCTAUUPQT-SFTDATJTSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)nc1 ZINC000290828935 257359913 /nfs/dbraw/zinc/35/99/13/257359913.db2.gz XOPVAUXELYVIEE-ZDUSSCGKSA-N 1 3 355.324 2.521 20 0 FFADHO CN1CC=C(CNC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000291038838 257376372 /nfs/dbraw/zinc/37/63/72/257376372.db2.gz GYKCZRNPSWEJHI-OAQYLSRUSA-N 1 3 370.541 2.850 20 0 FFADHO CN1CC=C(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000291038838 257376374 /nfs/dbraw/zinc/37/63/74/257376374.db2.gz GYKCZRNPSWEJHI-OAQYLSRUSA-N 1 3 370.541 2.850 20 0 FFADHO Cc1nc2scc(C3CC3)n2c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000297695896 257853049 /nfs/dbraw/zinc/85/30/49/257853049.db2.gz QFCVOGYBWKADKV-UHFFFAOYSA-N 1 3 362.543 2.907 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)C1 ZINC000297782111 257860006 /nfs/dbraw/zinc/86/00/06/257860006.db2.gz LRVULGOVEXCTKM-QFIPXVFZSA-N 1 3 370.541 2.910 20 0 FFADHO CC(C)N1CCN(CCC[NH+]2CCC(n3cc(Cl)cn3)CC2)CC1 ZINC000377120224 512131830 /nfs/dbraw/zinc/13/18/30/512131830.db2.gz MZBBYXRHTNLKBI-UHFFFAOYSA-N 1 3 353.942 2.590 20 0 FFADHO CN(C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)Cc1ccccc1 ZINC000097357627 222176122 /nfs/dbraw/zinc/17/61/22/222176122.db2.gz MKBBYBBYTJYNTR-LJQANCHMSA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccccc3CN(C)C)CC2)C[C@@H](C)O1 ZINC000373030356 512140621 /nfs/dbraw/zinc/14/06/21/512140621.db2.gz VZTFRFUVLCFMMH-QZTJIDSGSA-N 1 3 373.541 2.710 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000065526989 506319451 /nfs/dbraw/zinc/31/94/51/506319451.db2.gz AXSLZSOWBIKEAW-KSZLIROESA-N 1 3 352.567 2.917 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000065526989 506319457 /nfs/dbraw/zinc/31/94/57/506319457.db2.gz AXSLZSOWBIKEAW-KSZLIROESA-N 1 3 352.567 2.917 20 0 FFADHO CC(C)N(C)c1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000366788075 512187117 /nfs/dbraw/zinc/18/71/17/512187117.db2.gz GXZQWXRXDKKSJV-UHFFFAOYSA-N 1 3 373.589 2.776 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000410343435 512242808 /nfs/dbraw/zinc/24/28/08/512242808.db2.gz GJWVIFFBJNOCDJ-GOSISDBHSA-N 1 3 358.530 2.908 20 0 FFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000410343435 512242812 /nfs/dbraw/zinc/24/28/12/512242812.db2.gz GJWVIFFBJNOCDJ-GOSISDBHSA-N 1 3 358.530 2.908 20 0 FFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066185519 506439844 /nfs/dbraw/zinc/43/98/44/506439844.db2.gz PLCZDCWBDKCJJW-UXHICEINSA-N 1 3 356.514 2.531 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000067012607 506726113 /nfs/dbraw/zinc/72/61/13/506726113.db2.gz WAZVVINHPSRIHW-CTNGQTDRSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000067012607 506726117 /nfs/dbraw/zinc/72/61/17/506726117.db2.gz WAZVVINHPSRIHW-CTNGQTDRSA-N 1 3 372.557 2.725 20 0 FFADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(CC[NH+](C)C)CC1 ZINC000056522176 507037145 /nfs/dbraw/zinc/03/71/45/507037145.db2.gz RDOQBJQKEJJXHB-KRWDZBQOSA-N 1 3 370.541 2.879 20 0 FFADHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000068582267 507278625 /nfs/dbraw/zinc/27/86/25/507278625.db2.gz LRXLHOSMALAKEF-OAHLLOKOSA-N 1 3 370.488 2.768 20 0 FFADHO CCOc1ccc(OC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970565 507426238 /nfs/dbraw/zinc/42/62/38/507426238.db2.gz HICWZBWPJWDMDH-LJQANCHMSA-N 1 3 362.514 2.633 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000063464490 507733598 /nfs/dbraw/zinc/73/35/98/507733598.db2.gz QPYACCAUPABWNQ-LJQANCHMSA-N 1 3 370.541 2.825 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000063464490 507733605 /nfs/dbraw/zinc/73/36/05/507733605.db2.gz QPYACCAUPABWNQ-LJQANCHMSA-N 1 3 370.541 2.825 20 0 FFADHO C[NH+]1CCC(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000367151325 512360280 /nfs/dbraw/zinc/36/02/80/512360280.db2.gz OJBDRCSDGIWGNZ-GOSISDBHSA-N 1 3 365.468 2.602 20 0 FFADHO CN(CCCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760688 507783682 /nfs/dbraw/zinc/78/36/82/507783682.db2.gz IBSLOQREAFEYAA-UHFFFAOYSA-N 1 3 372.557 2.819 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000064251448 507787239 /nfs/dbraw/zinc/78/72/39/507787239.db2.gz HOYVLMMQJGYAEE-UHFFFAOYSA-N 1 3 366.575 2.991 20 0 FFADHO C[C@@H]1CCC[C@H]([NH+]2CCC3(CC2)NC(=N)Nc2nc4ccccc4n23)C1 ZINC000073002682 507883434 /nfs/dbraw/zinc/88/34/34/507883434.db2.gz WXNJKXAUOAECHY-CABCVRRESA-N 1 3 352.486 2.913 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2ccccc2C1 ZINC000079256934 507948390 /nfs/dbraw/zinc/94/83/90/507948390.db2.gz JPJKWCYFTATZDH-NJDAHSKKSA-N 1 3 370.541 2.749 20 0 FFADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCc2ccccc2C1 ZINC000079256934 507948392 /nfs/dbraw/zinc/94/83/92/507948392.db2.gz JPJKWCYFTATZDH-NJDAHSKKSA-N 1 3 370.541 2.749 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000073920764 507967743 /nfs/dbraw/zinc/96/77/43/507967743.db2.gz JWXHOBWPHSGRRE-KRWDZBQOSA-N 1 3 364.559 2.744 20 0 FFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000073920764 507967745 /nfs/dbraw/zinc/96/77/45/507967745.db2.gz JWXHOBWPHSGRRE-KRWDZBQOSA-N 1 3 364.559 2.744 20 0 FFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000079572568 507977381 /nfs/dbraw/zinc/97/73/81/507977381.db2.gz PQNXXWGARXKKQW-NRFANRHFSA-N 1 3 374.573 2.921 20 0 FFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000079572568 507977384 /nfs/dbraw/zinc/97/73/84/507977384.db2.gz PQNXXWGARXKKQW-NRFANRHFSA-N 1 3 374.573 2.921 20 0 FFADHO O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)CN1CCCC1 ZINC000091306449 507979773 /nfs/dbraw/zinc/97/97/73/507979773.db2.gz UGJCPDHDAVKIGI-DLBZAZTESA-N 1 3 353.304 2.947 20 0 FFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000074086314 507984423 /nfs/dbraw/zinc/98/44/23/507984423.db2.gz HBXRTRHNHKYIPM-FQEVSTJZSA-N 1 3 358.530 2.634 20 0 FFADHO C[N@H+](CCNC(=O)NCC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000091728563 508005369 /nfs/dbraw/zinc/00/53/69/508005369.db2.gz IUOCMKOJVTZCBV-UHFFFAOYSA-N 1 3 373.545 2.862 20 0 FFADHO C[N@@H+](CCNC(=O)NCC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000091728563 508005372 /nfs/dbraw/zinc/00/53/72/508005372.db2.gz IUOCMKOJVTZCBV-UHFFFAOYSA-N 1 3 373.545 2.862 20 0 FFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000074833001 508059252 /nfs/dbraw/zinc/05/92/52/508059252.db2.gz HNXVNDUJWAUFFG-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000074833001 508059255 /nfs/dbraw/zinc/05/92/55/508059255.db2.gz HNXVNDUJWAUFFG-GOSISDBHSA-N 1 3 350.551 2.624 20 0 FFADHO CN(C)CCOc1ccccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000080337832 508066714 /nfs/dbraw/zinc/06/67/14/508066714.db2.gz JSFBXPOSNFAYHC-UHFFFAOYSA-N 1 3 355.482 2.619 20 0 FFADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000080457825 508074921 /nfs/dbraw/zinc/07/49/21/508074921.db2.gz MBCXPUCWLJXYDU-UHFFFAOYSA-N 1 3 364.509 2.773 20 0 FFADHO C[C@H](O)C1CCN(Cc2ccccc2C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000111284367 508085957 /nfs/dbraw/zinc/08/59/57/508085957.db2.gz BNORYDKXURAUAV-ROUUACIJSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@H](O)C1CCN(Cc2cccc(C[NH+]3CCC([C@H](C)O)CC3)c2)CC1 ZINC000111288684 508087162 /nfs/dbraw/zinc/08/71/62/508087162.db2.gz PMRQMVATMPTFRT-ROUUACIJSA-N 1 3 360.542 2.872 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000092660277 508091803 /nfs/dbraw/zinc/09/18/03/508091803.db2.gz IGQWKYGQNJGVGC-IBGZPJMESA-N 1 3 372.557 2.696 20 0 FFADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000092660277 508091805 /nfs/dbraw/zinc/09/18/05/508091805.db2.gz IGQWKYGQNJGVGC-IBGZPJMESA-N 1 3 372.557 2.696 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080664820 508093622 /nfs/dbraw/zinc/09/36/22/508093622.db2.gz DWDMVTAYBQCBIZ-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080664820 508093624 /nfs/dbraw/zinc/09/36/24/508093624.db2.gz DWDMVTAYBQCBIZ-NJDAHSKKSA-N 1 3 370.541 2.919 20 0 FFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000377654250 512378364 /nfs/dbraw/zinc/37/83/64/512378364.db2.gz QVAZOXZPIVWVQM-QFIPXVFZSA-N 1 3 357.542 2.872 20 0 FFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000377654250 512378372 /nfs/dbraw/zinc/37/83/72/512378372.db2.gz QVAZOXZPIVWVQM-QFIPXVFZSA-N 1 3 357.542 2.872 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000101518376 508241678 /nfs/dbraw/zinc/24/16/78/508241678.db2.gz MMPRFMWLYPSNAY-GOSISDBHSA-N 1 3 374.504 2.724 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000101518376 508241679 /nfs/dbraw/zinc/24/16/79/508241679.db2.gz MMPRFMWLYPSNAY-GOSISDBHSA-N 1 3 374.504 2.724 20 0 FFADHO C[NH+]1CCC(CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000103305567 508305792 /nfs/dbraw/zinc/30/57/92/508305792.db2.gz RSWMYRBIZRQXNI-HXUWFJFHSA-N 1 3 358.530 2.855 20 0 FFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103321103 508307354 /nfs/dbraw/zinc/30/73/54/508307354.db2.gz KZCOUFYLCSUTBK-UHFFFAOYSA-N 1 3 364.509 2.631 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369388289 512385779 /nfs/dbraw/zinc/38/57/79/512385779.db2.gz VATYGFWEURXPGS-AQNXPRMDSA-N 1 3 356.514 2.577 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369388289 512385781 /nfs/dbraw/zinc/38/57/81/512385781.db2.gz VATYGFWEURXPGS-AQNXPRMDSA-N 1 3 356.514 2.577 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000104532785 508338061 /nfs/dbraw/zinc/33/80/61/508338061.db2.gz KCELYSGFHFBGOX-UHFFFAOYSA-N 1 3 356.514 2.612 20 0 FFADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114829253 508351391 /nfs/dbraw/zinc/35/13/91/508351391.db2.gz FHPUIQSBQWUISD-FQEVSTJZSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NCCCN1CCc2ccccc2C1)NCCC[NH+]1CCCCC1 ZINC000077714070 508356655 /nfs/dbraw/zinc/35/66/55/508356655.db2.gz FTUSJMFEWNKMSS-UHFFFAOYSA-N 1 3 358.530 2.610 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000105083559 508359527 /nfs/dbraw/zinc/35/95/27/508359527.db2.gz QEOKSJMSSZCTNP-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000105083559 508359530 /nfs/dbraw/zinc/35/95/30/508359530.db2.gz QEOKSJMSSZCTNP-SJORKVTESA-N 1 3 364.559 2.916 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)N1CCCCC1 ZINC000105081552 508359698 /nfs/dbraw/zinc/35/96/98/508359698.db2.gz FNLYDKCTYXHPFL-SFHVURJKSA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000077762414 508368624 /nfs/dbraw/zinc/36/86/24/508368624.db2.gz GANPQAPMIYQQGI-AWEZNQCLSA-N 1 3 374.451 2.901 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000077788502 508374377 /nfs/dbraw/zinc/37/43/77/508374377.db2.gz CCVAXLBYMRBHQH-AWEZNQCLSA-N 1 3 374.451 2.901 20 0 FFADHO CCCN1CCN(c2ccccc2C[NH2+]CCCc2c[nH]nc2C)CC1 ZINC000088678687 508381109 /nfs/dbraw/zinc/38/11/09/508381109.db2.gz IIQZAKYOZBSWSA-UHFFFAOYSA-N 1 3 355.530 2.973 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000077830418 508381751 /nfs/dbraw/zinc/38/17/51/508381751.db2.gz DXWFILLJOVREQZ-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000077830418 508381752 /nfs/dbraw/zinc/38/17/52/508381752.db2.gz DXWFILLJOVREQZ-IEBWSBKVSA-N 1 3 356.514 2.529 20 0 FFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000106501906 508401118 /nfs/dbraw/zinc/40/11/18/508401118.db2.gz WUPCKRKMVMXISZ-HXUWFJFHSA-N 1 3 370.541 2.967 20 0 FFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000106501906 508401119 /nfs/dbraw/zinc/40/11/19/508401119.db2.gz WUPCKRKMVMXISZ-HXUWFJFHSA-N 1 3 370.541 2.967 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152443722 508447695 /nfs/dbraw/zinc/44/76/95/508447695.db2.gz OWLVTLVQHHSDTL-GJZGRUSLSA-N 1 3 351.516 2.583 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152443722 508447697 /nfs/dbraw/zinc/44/76/97/508447697.db2.gz OWLVTLVQHHSDTL-GJZGRUSLSA-N 1 3 351.516 2.583 20 0 FFADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000127996635 508533017 /nfs/dbraw/zinc/53/30/17/508533017.db2.gz PAWZCXOOAFHUML-HIFRSBDPSA-N 1 3 352.548 2.813 20 0 FFADHO CN(CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000157487095 508572710 /nfs/dbraw/zinc/57/27/10/508572710.db2.gz NMGXJNOFZFGOIY-HXUWFJFHSA-N 1 3 358.530 2.778 20 0 FFADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000153414404 508580536 /nfs/dbraw/zinc/58/05/36/508580536.db2.gz LGTJUFVFJNJASA-QGZVFWFLSA-N 1 3 354.926 2.926 20 0 FFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000128460289 508596009 /nfs/dbraw/zinc/59/60/09/508596009.db2.gz UAWBUXVJNXAVJE-GIVPXCGWSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000128460289 508596012 /nfs/dbraw/zinc/59/60/12/508596012.db2.gz UAWBUXVJNXAVJE-GIVPXCGWSA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000128559994 508612032 /nfs/dbraw/zinc/61/20/32/508612032.db2.gz GXVPPPAWUPHGEJ-SFTDATJTSA-N 1 3 374.573 2.827 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000128559994 508612035 /nfs/dbraw/zinc/61/20/35/508612035.db2.gz GXVPPPAWUPHGEJ-SFTDATJTSA-N 1 3 374.573 2.827 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1OC ZINC000157862491 508623904 /nfs/dbraw/zinc/62/39/04/508623904.db2.gz PFDLLTIIPGYKIU-INIZCTEOSA-N 1 3 366.481 2.714 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1OC ZINC000157862491 508623907 /nfs/dbraw/zinc/62/39/07/508623907.db2.gz PFDLLTIIPGYKIU-INIZCTEOSA-N 1 3 366.481 2.714 20 0 FFADHO CCCCOc1ccccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000136175593 508676323 /nfs/dbraw/zinc/67/63/23/508676323.db2.gz IBEQJQHYIWFSMI-UHFFFAOYSA-N 1 3 361.530 2.755 20 0 FFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000154307465 508756208 /nfs/dbraw/zinc/75/62/08/508756208.db2.gz BWYAOURPXUYNEK-LJQANCHMSA-N 1 3 355.530 2.610 20 0 FFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158879983 508763223 /nfs/dbraw/zinc/76/32/23/508763223.db2.gz OEPRZJKAZKPBPW-OXQOHEQNSA-N 1 3 374.529 2.714 20 0 FFADHO C[NH+](C)C[C@@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000129786596 508766262 /nfs/dbraw/zinc/76/62/62/508766262.db2.gz NMDHUHMDEHUJGT-KRWDZBQOSA-N 1 3 364.559 2.553 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000158933298 508770115 /nfs/dbraw/zinc/77/01/15/508770115.db2.gz AAKZKZSKEMUFOM-LAUBAEHRSA-N 1 3 356.514 2.924 20 0 FFADHO C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000129847907 508773611 /nfs/dbraw/zinc/77/36/11/508773611.db2.gz HCZNPGFHZXMTDI-UTKZUKDTSA-N 1 3 355.526 2.855 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CN1C1CC1 ZINC000119449112 508799056 /nfs/dbraw/zinc/79/90/56/508799056.db2.gz SHXXEDHFIXVXFE-VQIMIIECSA-N 1 3 356.514 2.707 20 0 FFADHO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c(OCCN(C)C)c1 ZINC000124486342 508839470 /nfs/dbraw/zinc/83/94/70/508839470.db2.gz FOJRMIMWVIMUFB-QGZVFWFLSA-N 1 3 362.518 2.789 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000119856920 508877445 /nfs/dbraw/zinc/87/74/45/508877445.db2.gz TUCAYZQSMQMSCV-UHFFFAOYSA-N 1 3 362.518 2.965 20 0 FFADHO CC(C)COc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119925611 508891163 /nfs/dbraw/zinc/89/11/63/508891163.db2.gz XAZUSSUGFRDDGH-UHFFFAOYSA-N 1 3 350.507 2.679 20 0 FFADHO CCC[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000131430753 508931091 /nfs/dbraw/zinc/93/10/91/508931091.db2.gz HNVKNYKQJAQWRI-KRWDZBQOSA-N 1 3 373.545 2.781 20 0 FFADHO CN(CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccccc1 ZINC000125284493 508960156 /nfs/dbraw/zinc/96/01/56/508960156.db2.gz YDTOMJXROYMPHU-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CN(CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccccc1 ZINC000125284493 508960159 /nfs/dbraw/zinc/96/01/59/508960159.db2.gz YDTOMJXROYMPHU-TZIWHRDSSA-N 1 3 370.541 2.777 20 0 FFADHO CC[NH+]1CCC(NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000155261136 508960978 /nfs/dbraw/zinc/96/09/78/508960978.db2.gz LPGDHDMPBWEOHQ-NRFANRHFSA-N 1 3 358.530 2.825 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3OCC3CC3)CC2)CC1 ZINC000125335555 508967808 /nfs/dbraw/zinc/96/78/08/508967808.db2.gz SHUFVLOLHVTEJY-UHFFFAOYSA-N 1 3 371.525 2.764 20 0 FFADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000125546078 508997879 /nfs/dbraw/zinc/99/78/79/508997879.db2.gz ZEQKXKYJDSYCRO-INIZCTEOSA-N 1 3 352.548 2.916 20 0 FFADHO CC[C@H](OC1CCCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151481505 509026294 /nfs/dbraw/zinc/02/62/94/509026294.db2.gz PEDYRUVDSDODTH-FQEVSTJZSA-N 1 3 365.562 2.789 20 0 FFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC(F)F ZINC000132429765 509030882 /nfs/dbraw/zinc/03/08/82/509030882.db2.gz BKPNXEWGFRVTML-UHFFFAOYSA-N 1 3 358.433 2.554 20 0 FFADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000151618011 509053821 /nfs/dbraw/zinc/05/38/21/509053821.db2.gz WIFNJCQSHGXLER-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO C[N@H+]1CCC[C@H]2CN(C(=O)NC3CCN(Cc4ccccc4)CC3)CC[C@@H]21 ZINC000151618011 509053823 /nfs/dbraw/zinc/05/38/23/509053823.db2.gz WIFNJCQSHGXLER-FPOVZHCZSA-N 1 3 370.541 2.777 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3CCCN(C)C3)CC2)CC1 ZINC000126137340 509066367 /nfs/dbraw/zinc/06/63/67/509066367.db2.gz CVXIOBNDMMQVLN-VIQWUECVSA-N 1 3 350.551 2.671 20 0 FFADHO CC1CC[NH+](C2CCC(NC(=O)NC3CCN(C4CC4)CC3)CC2)CC1 ZINC000121012696 509110454 /nfs/dbraw/zinc/11/04/54/509110454.db2.gz OIAKKRIFZBQDLX-UHFFFAOYSA-N 1 3 362.562 2.956 20 0 FFADHO Cc1ccc(Br)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000133287976 509143170 /nfs/dbraw/zinc/14/31/70/509143170.db2.gz MEMFLSGFMJKNDR-UHFFFAOYSA-N 1 3 371.323 2.715 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127031629 509160627 /nfs/dbraw/zinc/16/06/27/509160627.db2.gz DJAFPKQWEIMTMF-QWFCFKBJSA-N 1 3 362.562 2.909 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127031629 509160632 /nfs/dbraw/zinc/16/06/32/509160632.db2.gz DJAFPKQWEIMTMF-QWFCFKBJSA-N 1 3 362.562 2.909 20 0 FFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000175869933 509189734 /nfs/dbraw/zinc/18/97/34/509189734.db2.gz ZXNRHVRCNCXTPD-XUVXKRRUSA-N 1 3 358.530 2.823 20 0 FFADHO CC[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000182377916 509202161 /nfs/dbraw/zinc/20/21/61/509202161.db2.gz KYAJSGDAJPLHHD-SFTDATJTSA-N 1 3 373.541 2.623 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@@H]21 ZINC000247962003 509202370 /nfs/dbraw/zinc/20/23/70/509202370.db2.gz GJIGWHFRTMCJAV-DYXWJJEUSA-N 1 3 373.516 2.980 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)CC[C@@H]21 ZINC000247962003 509202375 /nfs/dbraw/zinc/20/23/75/509202375.db2.gz GJIGWHFRTMCJAV-DYXWJJEUSA-N 1 3 373.516 2.980 20 0 FFADHO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248392855 509289832 /nfs/dbraw/zinc/28/98/32/509289832.db2.gz DKDHZNUEARYKBV-UWHLTILDSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248392855 509289836 /nfs/dbraw/zinc/28/98/36/509289836.db2.gz DKDHZNUEARYKBV-UWHLTILDSA-N 1 3 355.526 2.888 20 0 FFADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248392855 509289841 /nfs/dbraw/zinc/28/98/41/509289841.db2.gz DKDHZNUEARYKBV-UWHLTILDSA-N 1 3 355.526 2.888 20 0 FFADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000248403632 509298616 /nfs/dbraw/zinc/29/86/16/509298616.db2.gz OUTDTJSOILUXPG-YXYSEUPNSA-N 1 3 353.510 2.640 20 0 FFADHO C[C@H](NCCC(=O)Nc1cc(N)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185699936 509311855 /nfs/dbraw/zinc/31/18/55/509311855.db2.gz HJMWQQGHBWSYKB-LSDHHAIUSA-N 1 3 362.493 2.979 20 0 FFADHO C[C@H](NCCC(=O)Nc1cc(N)ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699936 509311859 /nfs/dbraw/zinc/31/18/59/509311859.db2.gz HJMWQQGHBWSYKB-LSDHHAIUSA-N 1 3 362.493 2.979 20 0 FFADHO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)[C@@H]1CCCN(C2CCC2)C1 ZINC000185699936 509311866 /nfs/dbraw/zinc/31/18/66/509311866.db2.gz HJMWQQGHBWSYKB-LSDHHAIUSA-N 1 3 362.493 2.979 20 0 FFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)C1 ZINC000176204631 509377553 /nfs/dbraw/zinc/37/75/53/509377553.db2.gz YBGYUKIPBIRNPT-ROUUACIJSA-N 1 3 360.546 2.868 20 0 FFADHO C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)CN1CCCC1 ZINC000189053321 509388834 /nfs/dbraw/zinc/38/88/34/509388834.db2.gz XILGOGLKKGNXGW-WWDZGPRUSA-N 1 3 369.509 2.915 20 0 FFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000163671775 509408649 /nfs/dbraw/zinc/40/86/49/509408649.db2.gz QWSJHKSXPCNKCD-XLIONFOSSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000248719287 509451553 /nfs/dbraw/zinc/45/15/53/509451553.db2.gz LNWOPXIRZHDRHR-BZUAXINKSA-N 1 3 360.502 2.777 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000173255400 509482699 /nfs/dbraw/zinc/48/26/99/509482699.db2.gz IXRGLKUZMUHXMT-HOJAQTOUSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000173255400 509482706 /nfs/dbraw/zinc/48/27/06/509482706.db2.gz IXRGLKUZMUHXMT-HOJAQTOUSA-N 1 3 358.530 2.948 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1 ZINC000236833503 509512349 /nfs/dbraw/zinc/51/23/49/509512349.db2.gz QJBHPHYPVRMEIH-NHCUHLMSSA-N 1 3 353.510 2.626 20 0 FFADHO CCCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)C1CC[NH2+]CC1 ZINC000236849492 509516763 /nfs/dbraw/zinc/51/67/63/509516763.db2.gz GHYSXBSDXXJJHT-UHFFFAOYSA-N 1 3 372.557 2.821 20 0 FFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248897514 509536216 /nfs/dbraw/zinc/53/62/16/509536216.db2.gz UAWBUXVJNXAVJE-NRSPTQNISA-N 1 3 372.557 2.927 20 0 FFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248897514 509536220 /nfs/dbraw/zinc/53/62/20/509536220.db2.gz UAWBUXVJNXAVJE-NRSPTQNISA-N 1 3 372.557 2.927 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248913792 509541837 /nfs/dbraw/zinc/54/18/37/509541837.db2.gz VTNBFRUODIXYGO-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248913792 509541845 /nfs/dbraw/zinc/54/18/45/509541845.db2.gz VTNBFRUODIXYGO-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[NH+](C)C)cc1 ZINC000173411574 509581090 /nfs/dbraw/zinc/58/10/90/509581090.db2.gz YIKQHJUUUYNZLU-PMACEKPBSA-N 1 3 356.514 2.507 20 0 FFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000173413768 509582875 /nfs/dbraw/zinc/58/28/75/509582875.db2.gz MRULTXPAQZBWJT-PMACEKPBSA-N 1 3 356.514 2.725 20 0 FFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000176585720 509597497 /nfs/dbraw/zinc/59/74/97/509597497.db2.gz ZCYMCKQEDCBEAK-UXHICEINSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000179770800 509615593 /nfs/dbraw/zinc/61/55/93/509615593.db2.gz TXHACZVQTJUFCV-QINHECLXSA-N 1 3 358.530 2.525 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000179770800 509615600 /nfs/dbraw/zinc/61/56/00/509615600.db2.gz TXHACZVQTJUFCV-QINHECLXSA-N 1 3 358.530 2.525 20 0 FFADHO CCN(CC)C(=O)C1([NH2+]CCCN2CCN(C(C)C)CC2)CCCCC1 ZINC000192769297 509636913 /nfs/dbraw/zinc/63/69/13/509636913.db2.gz BANLDSKHKZDXOJ-UHFFFAOYSA-N 1 3 366.594 2.563 20 0 FFADHO CCOC(=O)C1(N(C)CCCN2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000192773435 509638345 /nfs/dbraw/zinc/63/83/45/509638345.db2.gz GWPLZLUPWVDVSI-UHFFFAOYSA-N 1 3 353.551 2.600 20 0 FFADHO C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CSCCN2)CCCC1)c1ccccc1 ZINC000237401523 509639040 /nfs/dbraw/zinc/63/90/40/509639040.db2.gz ZDVCSPPFSUDLKK-AEFFLSMTSA-N 1 3 361.555 2.861 20 0 FFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2c(c1)CCCC2 ZINC000168949442 509651880 /nfs/dbraw/zinc/65/18/80/509651880.db2.gz BRQVUFSYVAVANV-IBGZPJMESA-N 1 3 359.558 2.606 20 0 FFADHO C[C@H](CC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237490325 509661445 /nfs/dbraw/zinc/66/14/45/509661445.db2.gz LDLZYEBQPANUQB-MOPGFXCFSA-N 1 3 372.557 2.573 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000176885487 509744125 /nfs/dbraw/zinc/74/41/25/509744125.db2.gz KOQIHQXXRPJKKK-HLAWJBBLSA-N 1 3 370.541 2.919 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000180115488 509760767 /nfs/dbraw/zinc/76/07/67/509760767.db2.gz HCPXJUCSCLTYNL-UHFFFAOYSA-N 1 3 368.525 2.775 20 0 FFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000237887083 509762220 /nfs/dbraw/zinc/76/22/20/509762220.db2.gz MXBMHUTYYHTKOI-OOKSDGMUSA-N 1 3 361.555 2.997 20 0 FFADHO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000173781715 509774406 /nfs/dbraw/zinc/77/44/06/509774406.db2.gz PEWHBBLDHUAHHL-FXAWDEMLSA-N 1 3 358.530 2.907 20 0 FFADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000186575714 509780893 /nfs/dbraw/zinc/78/08/93/509780893.db2.gz KBLSFPKJNZRKNF-ROUUACIJSA-N 1 3 355.530 2.857 20 0 FFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000251880367 509824205 /nfs/dbraw/zinc/82/42/05/509824205.db2.gz UUPPTGKRFWQJKG-TZIWHRDSSA-N 1 3 372.557 2.880 20 0 FFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000251880367 509824210 /nfs/dbraw/zinc/82/42/10/509824210.db2.gz UUPPTGKRFWQJKG-TZIWHRDSSA-N 1 3 372.557 2.880 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180300524 509857192 /nfs/dbraw/zinc/85/71/92/509857192.db2.gz IXKTYBVWEKMRAE-OKZBNKHCSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180300524 509857194 /nfs/dbraw/zinc/85/71/94/509857194.db2.gz IXKTYBVWEKMRAE-OKZBNKHCSA-N 1 3 350.551 2.813 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2CC[NH+](C(C)C)CC2)c1 ZINC000183592120 509876259 /nfs/dbraw/zinc/87/62/59/509876259.db2.gz VNNKGKWSNYLRLL-OAHLLOKOSA-N 1 3 361.486 2.653 20 0 FFADHO CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000171042921 509904764 /nfs/dbraw/zinc/90/47/64/509904764.db2.gz GJLJGWAENMGRKM-HXUWFJFHSA-N 1 3 370.541 2.703 20 0 FFADHO C[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000174020386 509907005 /nfs/dbraw/zinc/90/70/05/509907005.db2.gz UDGZASMQSNAIRC-SFHVURJKSA-N 1 3 369.431 2.651 20 0 FFADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC000268408236 509911722 /nfs/dbraw/zinc/91/17/22/509911722.db2.gz GPMSAHHQWSLYKG-UHFFFAOYSA-N 1 3 358.429 2.622 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000255711270 509933913 /nfs/dbraw/zinc/93/39/13/509933913.db2.gz CMSURKSNGCYESK-QUCCMNQESA-N 1 3 360.546 2.723 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000255711270 509933920 /nfs/dbraw/zinc/93/39/20/509933920.db2.gz CMSURKSNGCYESK-QUCCMNQESA-N 1 3 360.546 2.723 20 0 FFADHO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C2CCN(C(C)C)CC2)C1 ZINC000183726163 509946368 /nfs/dbraw/zinc/94/63/68/509946368.db2.gz ZDTDRBBVTNPCJG-UHFFFAOYSA-N 1 3 368.518 2.501 20 0 FFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)C[C@H](C)O1 ZINC000177263890 509967596 /nfs/dbraw/zinc/96/75/96/509967596.db2.gz AWTKBTMIPCYXNH-RZUBCFFCSA-N 1 3 359.558 2.782 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)s2)[C@H](C)C1 ZINC000187009271 510002316 /nfs/dbraw/zinc/00/23/16/510002316.db2.gz TVQIRIKVZWLIPQ-GDBMZVCRSA-N 1 3 354.516 2.761 20 0 FFADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000187023972 510011533 /nfs/dbraw/zinc/01/15/33/510011533.db2.gz JXPVVEZYTDYTLJ-YRXWBPOGSA-N 1 3 353.551 2.503 20 0 FFADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000261670901 510021188 /nfs/dbraw/zinc/02/11/88/510021188.db2.gz ACTZBXLDBIUANT-ROUUACIJSA-N 1 3 369.431 2.638 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245664469 510071223 /nfs/dbraw/zinc/07/12/23/510071223.db2.gz GKOITZIDHAHLRO-SNJCGAMXSA-N 1 3 370.585 2.798 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000183994695 510077884 /nfs/dbraw/zinc/07/78/84/510077884.db2.gz XLMQWZLCYITXJM-UWJYYQICSA-N 1 3 370.541 2.681 20 0 FFADHO C[C@]1(C[NH3+])CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000261839378 510083970 /nfs/dbraw/zinc/08/39/70/510083970.db2.gz ZOZGDHCANIOARU-JOCHJYFZSA-N 1 3 351.494 2.953 20 0 FFADHO C[C@]1(CN)CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000261839378 510083976 /nfs/dbraw/zinc/08/39/76/510083976.db2.gz ZOZGDHCANIOARU-JOCHJYFZSA-N 1 3 351.494 2.953 20 0 FFADHO C[C@]1(CN)CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000261839378 510083982 /nfs/dbraw/zinc/08/39/82/510083982.db2.gz ZOZGDHCANIOARU-JOCHJYFZSA-N 1 3 351.494 2.953 20 0 FFADHO CC[NH+]1CCC(NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000268844262 510094474 /nfs/dbraw/zinc/09/44/74/510094474.db2.gz PJWAYBLWJDZTGX-UHFFFAOYSA-N 1 3 354.292 2.852 20 0 FFADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)NC3CCCC3)CC2)C[C@H](C)O1 ZINC000177511125 510105829 /nfs/dbraw/zinc/10/58/29/510105829.db2.gz UZJACNIDKDGMQO-ROUUACIJSA-N 1 3 365.562 2.647 20 0 FFADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(C)c1OC(F)F ZINC000262035762 510154909 /nfs/dbraw/zinc/15/49/09/510154909.db2.gz OMRPGWBPQYDKNV-MRXNPFEDSA-N 1 3 369.456 2.724 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000177621098 510165585 /nfs/dbraw/zinc/16/55/85/510165585.db2.gz BUIHDPZDURAKJA-LPHOPBHVSA-N 1 3 370.541 2.748 20 0 FFADHO C[C@H]1C[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000177621098 510165595 /nfs/dbraw/zinc/16/55/95/510165595.db2.gz BUIHDPZDURAKJA-LPHOPBHVSA-N 1 3 370.541 2.748 20 0 FFADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171452528 510167696 /nfs/dbraw/zinc/16/76/96/510167696.db2.gz QQRBTZDDEOAVLR-ICSRJNTNSA-N 1 3 359.489 2.734 20 0 FFADHO Cc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Oc1cccnc1 ZINC000262173080 510200566 /nfs/dbraw/zinc/20/05/66/510200566.db2.gz VKBNBIOFQWTNKH-IBGZPJMESA-N 1 3 352.482 2.662 20 0 FFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194069624 510201746 /nfs/dbraw/zinc/20/17/46/510201746.db2.gz ZUFBZWHNMVXTLV-QHAWAJNXSA-N 1 3 356.510 2.691 20 0 FFADHO C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N1CCC[C@@H](C)C1 ZINC000245915370 510202947 /nfs/dbraw/zinc/20/29/47/510202947.db2.gz KORZGDAPTTZZFA-CEXWTWQISA-N 1 3 350.551 2.767 20 0 FFADHO C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N1CCC[C@@H](C)C1 ZINC000245915378 510203589 /nfs/dbraw/zinc/20/35/89/510203589.db2.gz KORZGDAPTTZZFA-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000245928819 510212970 /nfs/dbraw/zinc/21/29/70/510212970.db2.gz HYZJGTLVLMUHAG-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000245928819 510212976 /nfs/dbraw/zinc/21/29/76/510212976.db2.gz HYZJGTLVLMUHAG-QRVBRYPASA-N 1 3 350.551 2.767 20 0 FFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000269055727 510213518 /nfs/dbraw/zinc/21/35/18/510213518.db2.gz JFHOHVOWJPZRTR-FUHWJXTLSA-N 1 3 368.518 2.728 20 0 FFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262308055 510239986 /nfs/dbraw/zinc/23/99/86/510239986.db2.gz CLVQUEGZFXQVEQ-FUHIMQAGSA-N 1 3 361.555 2.856 20 0 FFADHO C[C@H](C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1C[NH2+]C1 ZINC000262374669 510260193 /nfs/dbraw/zinc/26/01/93/510260193.db2.gz MEOKXWJRGUNECA-SFHVURJKSA-N 1 3 355.526 2.889 20 0 FFADHO COCC1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]CC1 ZINC000262432387 510278994 /nfs/dbraw/zinc/27/89/94/510278994.db2.gz WSHUPBGVHXJALJ-HXUWFJFHSA-N 1 3 373.541 2.592 20 0 FFADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262589588 510327985 /nfs/dbraw/zinc/32/79/85/510327985.db2.gz QJENLBCBJLTECA-MAUKXSAKSA-N 1 3 369.431 2.557 20 0 FFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000177921136 510328221 /nfs/dbraw/zinc/32/82/21/510328221.db2.gz DADMCHHKCHMPCS-DCXXXQMHSA-N 1 3 373.541 2.756 20 0 FFADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246190683 510349099 /nfs/dbraw/zinc/34/90/99/510349099.db2.gz LTMVGWWTKHZTGL-VQTJNVASSA-N 1 3 373.516 2.982 20 0 FFADHO CC[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000262678326 510365352 /nfs/dbraw/zinc/36/53/52/510365352.db2.gz UPSBPGFDARFUGG-RTWAWAEBSA-N 1 3 351.494 2.510 20 0 FFADHO CC[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000262678326 510365356 /nfs/dbraw/zinc/36/53/56/510365356.db2.gz UPSBPGFDARFUGG-RTWAWAEBSA-N 1 3 351.494 2.510 20 0 FFADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000262769402 510403979 /nfs/dbraw/zinc/40/39/79/510403979.db2.gz HJVASJJENRPZEQ-DENIHFKCSA-N 1 3 373.541 2.547 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246330648 510430008 /nfs/dbraw/zinc/43/00/08/510430008.db2.gz XTIKGGGMHBHTSI-ITTUMRLJSA-N 1 3 359.558 2.986 20 0 FFADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)C[C@H](C)O1 ZINC000262902829 510468428 /nfs/dbraw/zinc/46/84/28/510468428.db2.gz DTDVZHIGDVWYLD-ZDWTUXFCSA-N 1 3 365.562 2.632 20 0 FFADHO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000191052585 510483319 /nfs/dbraw/zinc/48/33/19/510483319.db2.gz IEBDVYZAWZXMOQ-LCUHEZEJSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000191052585 510483326 /nfs/dbraw/zinc/48/33/26/510483326.db2.gz IEBDVYZAWZXMOQ-LCUHEZEJSA-N 1 3 366.546 2.713 20 0 FFADHO CCOC(=O)C1CCC(O)(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000191052585 510483333 /nfs/dbraw/zinc/48/33/33/510483333.db2.gz IEBDVYZAWZXMOQ-LCUHEZEJSA-N 1 3 366.546 2.713 20 0 FFADHO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)nc2)C1 ZINC000269645418 510496934 /nfs/dbraw/zinc/49/69/34/510496934.db2.gz HTBXEJOZTUHYHG-OALUTQOASA-N 1 3 371.529 2.567 20 0 FFADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000178353247 510561831 /nfs/dbraw/zinc/56/18/31/510561831.db2.gz LYEMODDCHOWYQR-WFASDCNBSA-N 1 3 354.292 2.850 20 0 FFADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000178353247 510561834 /nfs/dbraw/zinc/56/18/34/510561834.db2.gz LYEMODDCHOWYQR-WFASDCNBSA-N 1 3 354.292 2.850 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1(C)C ZINC000188061882 510572619 /nfs/dbraw/zinc/57/26/19/510572619.db2.gz XGPQPSZAVCVWMN-GHTZIAJQSA-N 1 3 361.530 2.676 20 0 FFADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1(C)C ZINC000188061882 510572632 /nfs/dbraw/zinc/57/26/32/510572632.db2.gz XGPQPSZAVCVWMN-GHTZIAJQSA-N 1 3 361.530 2.676 20 0 FFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000263233582 510622784 /nfs/dbraw/zinc/62/27/84/510622784.db2.gz CTKORONWQRDGQR-NBMJBFSESA-N 1 3 361.555 2.997 20 0 FFADHO C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000185076184 510670516 /nfs/dbraw/zinc/67/05/16/510670516.db2.gz TYVXBFFITAOMNQ-RCOXNQKVSA-N 1 3 355.526 2.525 20 0 FFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000246881015 510724610 /nfs/dbraw/zinc/72/46/10/510724610.db2.gz DADMCHHKCHMPCS-WKRCXCSHSA-N 1 3 373.541 2.756 20 0 FFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1(C)C ZINC000185214845 510752400 /nfs/dbraw/zinc/75/24/00/510752400.db2.gz HNDCOASMVYVNTB-RTBURBONSA-N 1 3 361.530 2.660 20 0 FFADHO COc1cccc(COC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246944767 510760793 /nfs/dbraw/zinc/76/07/93/510760793.db2.gz UHPQULQVHGXXAP-UZKOGDIHSA-N 1 3 374.525 2.521 20 0 FFADHO CN(C/C=C/C[N@H+](C)[C@H](CO)c1ccccc1)[C@H](CO)c1ccccc1 ZINC000270319550 510760770 /nfs/dbraw/zinc/76/07/70/510760770.db2.gz KAWJIWBBJPFMIY-CXNSYNGHSA-N 1 3 354.494 2.873 20 0 FFADHO CN(C/C=C/C[N@@H+](C)[C@H](CO)c1ccccc1)[C@H](CO)c1ccccc1 ZINC000270319550 510760774 /nfs/dbraw/zinc/76/07/74/510760774.db2.gz KAWJIWBBJPFMIY-CXNSYNGHSA-N 1 3 354.494 2.873 20 0 FFADHO COc1cccc(COC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246944767 510760797 /nfs/dbraw/zinc/76/07/97/510760797.db2.gz UHPQULQVHGXXAP-UZKOGDIHSA-N 1 3 374.525 2.521 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCC[C@H](C)C1 ZINC000172542292 510782828 /nfs/dbraw/zinc/78/28/28/510782828.db2.gz NHMHAYHEXKDBMX-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCC[C@H](C)C1 ZINC000172542292 510782832 /nfs/dbraw/zinc/78/28/32/510782832.db2.gz NHMHAYHEXKDBMX-ROUUACIJSA-N 1 3 350.551 2.767 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172559195 510790425 /nfs/dbraw/zinc/79/04/25/510790425.db2.gz PKJZGHSUSLHHEZ-HXUWFJFHSA-N 1 3 372.557 2.819 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172559195 510790431 /nfs/dbraw/zinc/79/04/31/510790431.db2.gz PKJZGHSUSLHHEZ-HXUWFJFHSA-N 1 3 372.557 2.819 20 0 FFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000247063303 510821800 /nfs/dbraw/zinc/82/18/00/510821800.db2.gz NXPOLMYZYQPEBQ-SMKXDYDZSA-N 1 3 360.420 2.763 20 0 FFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000247063303 510821809 /nfs/dbraw/zinc/82/18/09/510821809.db2.gz NXPOLMYZYQPEBQ-SMKXDYDZSA-N 1 3 360.420 2.763 20 0 FFADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182241807 510829730 /nfs/dbraw/zinc/82/97/30/510829730.db2.gz JEFPDLDZVDHWTO-RBUKOAKNSA-N 1 3 352.544 2.974 20 0 FFADHO CCN1CC[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000247096359 510833043 /nfs/dbraw/zinc/83/30/43/510833043.db2.gz OJCMETVORJGNCP-GHTZIAJQSA-N 1 3 357.542 2.788 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CN1Cc1ccccc1 ZINC000247286913 510855588 /nfs/dbraw/zinc/85/55/88/510855588.db2.gz TYHPZZVIRXDAHM-HZEGPAAWSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CN1Cc1ccccc1 ZINC000247286913 510855589 /nfs/dbraw/zinc/85/55/89/510855589.db2.gz TYHPZZVIRXDAHM-HZEGPAAWSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000285358654 510874247 /nfs/dbraw/zinc/87/42/47/510874247.db2.gz VMXIRERXUYFEBD-LJQANCHMSA-N 1 3 370.545 2.594 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282182038 510876820 /nfs/dbraw/zinc/87/68/20/510876820.db2.gz FSQYGTMKVSBSSP-PZJWPPBQSA-N 1 3 358.574 2.513 20 0 FFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCCN1CCN(c2ccccc2)CC1 ZINC000285426502 510900757 /nfs/dbraw/zinc/90/07/57/510900757.db2.gz DYJKHKIUQAXOIT-IRLDBZIGSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000285426502 510900760 /nfs/dbraw/zinc/90/07/60/510900760.db2.gz DYJKHKIUQAXOIT-IRLDBZIGSA-N 1 3 356.558 2.757 20 0 FFADHO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000285426502 510900762 /nfs/dbraw/zinc/90/07/62/510900762.db2.gz DYJKHKIUQAXOIT-IRLDBZIGSA-N 1 3 356.558 2.757 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000360669186 510933579 /nfs/dbraw/zinc/93/35/79/510933579.db2.gz BKJGWNRRNDFUCC-PWRODBHTSA-N 1 3 370.541 2.634 20 0 FFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000360669186 510933586 /nfs/dbraw/zinc/93/35/86/510933586.db2.gz BKJGWNRRNDFUCC-PWRODBHTSA-N 1 3 370.541 2.634 20 0 FFADHO CN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297459393 510953672 /nfs/dbraw/zinc/95/36/72/510953672.db2.gz JZFGUTRDXHZENQ-OAQYLSRUSA-N 1 3 370.541 2.919 20 0 FFADHO CN1CCC(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000361217040 511014745 /nfs/dbraw/zinc/01/47/45/511014745.db2.gz WXECQBSHRINUHB-UHFFFAOYSA-N 1 3 370.541 2.778 20 0 FFADHO CN1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000361217040 511014754 /nfs/dbraw/zinc/01/47/54/511014754.db2.gz WXECQBSHRINUHB-UHFFFAOYSA-N 1 3 370.541 2.778 20 0 FFADHO COCCC[NH+]1CCC(NCc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282619739 511048123 /nfs/dbraw/zinc/04/81/23/511048123.db2.gz JJPMIFVVOVXJKH-UHFFFAOYSA-N 1 3 356.514 2.986 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OCCN(C)C)c1 ZINC000361461543 511054161 /nfs/dbraw/zinc/05/41/61/511054161.db2.gz LEIUQGYOAFBDBP-SJORKVTESA-N 1 3 360.502 2.684 20 0 FFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OCCN(C)C)c1 ZINC000361461543 511054166 /nfs/dbraw/zinc/05/41/66/511054166.db2.gz LEIUQGYOAFBDBP-SJORKVTESA-N 1 3 360.502 2.684 20 0 FFADHO CN(c1ccccc1CNC[C@H]1COC2(CCCC2)O1)C1CC[NH+](C)CC1 ZINC000271411686 511195884 /nfs/dbraw/zinc/19/58/84/511195884.db2.gz KHUXYXQRUUOWJH-FQEVSTJZSA-N 1 3 373.541 2.992 20 0 FFADHO C[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271553161 511243691 /nfs/dbraw/zinc/24/36/91/511243691.db2.gz VDECVDPYIWEJCX-XJABCFGWSA-N 1 3 372.509 2.762 20 0 FFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)[C@@H]1C ZINC000279873265 511248513 /nfs/dbraw/zinc/24/85/13/511248513.db2.gz JSGQGHHACWDZKU-LKUPVBHCSA-N 1 3 374.525 2.711 20 0 FFADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333532175 511276941 /nfs/dbraw/zinc/27/69/41/511276941.db2.gz ICPDKEMQWDYOGJ-NMLBUPMWSA-N 1 3 370.541 2.666 20 0 FFADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000333656423 511314312 /nfs/dbraw/zinc/31/43/12/511314312.db2.gz KTKBEUYPKJTOBS-KCZVDYSFSA-N 1 3 370.541 2.812 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)N2CCCC2)cc1 ZINC000333725420 511336517 /nfs/dbraw/zinc/33/65/17/511336517.db2.gz HBLDPZNEXDEROV-BURNTYAHSA-N 1 3 370.541 2.901 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc2)CC1 ZINC000333823952 511366441 /nfs/dbraw/zinc/36/64/41/511366441.db2.gz RNULYGHJFVQNJC-DOIPELPJSA-N 1 3 370.541 2.838 20 0 FFADHO COc1cc(CNCc2cccc(OCC[NH+](C)C)c2)cc(OC)c1O ZINC000298688718 511376097 /nfs/dbraw/zinc/37/60/97/511376097.db2.gz JMIKCRYBUQRCGV-UHFFFAOYSA-N 1 3 360.454 2.640 20 0 FFADHO CC1CC[NH+](Cc2cccc(CNC(=O)NCC3=CCN(C)CC3)c2)CC1 ZINC000272125072 511439875 /nfs/dbraw/zinc/43/98/75/511439875.db2.gz UWDCFPSDQHQCKW-UHFFFAOYSA-N 1 3 370.541 2.980 20 0 FFADHO C[C@@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000299110007 511518417 /nfs/dbraw/zinc/51/84/17/511518417.db2.gz WXINHBIDOPGNHT-QRVBRYPASA-N 1 3 372.557 2.808 20 0 FFADHO CN(C)c1ccncc1CNc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000273606908 511549367 /nfs/dbraw/zinc/54/93/67/511549367.db2.gz NGHUPMNTSTZEIE-UHFFFAOYSA-N 1 3 354.502 2.685 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365758029 511638883 /nfs/dbraw/zinc/63/88/83/511638883.db2.gz GSFFYPZSVIMLOI-NHCUHLMSSA-N 1 3 367.537 2.841 20 0 FFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365758029 511638888 /nfs/dbraw/zinc/63/88/88/511638888.db2.gz GSFFYPZSVIMLOI-NHCUHLMSSA-N 1 3 367.537 2.841 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000365828526 511672603 /nfs/dbraw/zinc/67/26/03/511672603.db2.gz CEWUGYURMYVLSE-GOSISDBHSA-N 1 3 358.530 2.777 20 0 FFADHO COc1ncc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000284394004 511707805 /nfs/dbraw/zinc/70/78/05/511707805.db2.gz PJABPTFCMUGIGH-VUCTXSBTSA-N 1 3 353.894 2.772 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)N2CCCC2)cc1 ZINC000303249776 511729820 /nfs/dbraw/zinc/72/98/20/511729820.db2.gz MUPHPFNBTQYBJX-XLIONFOSSA-N 1 3 358.530 2.914 20 0 FFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000303249776 511729828 /nfs/dbraw/zinc/72/98/28/511729828.db2.gz MUPHPFNBTQYBJX-XLIONFOSSA-N 1 3 358.530 2.914 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000309650573 511770819 /nfs/dbraw/zinc/77/08/19/511770819.db2.gz ABXQOGPEDSYAPN-YADHBBJMSA-N 1 3 354.494 2.676 20 0 FFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000309650573 511770825 /nfs/dbraw/zinc/77/08/25/511770825.db2.gz ABXQOGPEDSYAPN-YADHBBJMSA-N 1 3 354.494 2.676 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000312107209 511782008 /nfs/dbraw/zinc/78/20/08/511782008.db2.gz KRYSACMUVLSMBO-GIVPXCGWSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000312107209 511782012 /nfs/dbraw/zinc/78/20/12/511782012.db2.gz KRYSACMUVLSMBO-GIVPXCGWSA-N 1 3 355.526 2.841 20 0 FFADHO C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000363830660 511794978 /nfs/dbraw/zinc/79/49/78/511794978.db2.gz QTOIZWHSLPANCP-UZLBHIALSA-N 1 3 372.513 2.544 20 0 FFADHO C[C@@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CCN(C2CCC2)C1 ZINC000293659731 512043445 /nfs/dbraw/zinc/04/34/45/512043445.db2.gz JFDQREDOYZEHIG-KRWDZBQOSA-N 1 3 359.514 2.573 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)COCC(F)(F)F)CC1 ZINC000366587952 512096694 /nfs/dbraw/zinc/09/66/94/512096694.db2.gz BYKLQMMAPZKUDC-RDJZCZTQSA-N 1 3 366.468 2.903 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)COCC(F)(F)F)CC1 ZINC000366587952 512096697 /nfs/dbraw/zinc/09/66/97/512096697.db2.gz BYKLQMMAPZKUDC-RDJZCZTQSA-N 1 3 366.468 2.903 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000373714221 512469465 /nfs/dbraw/zinc/46/94/65/512469465.db2.gz VVVDXJSSVFFNKX-GXRSIYKFSA-N 1 3 358.526 2.938 20 0 FFADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000369952608 512696328 /nfs/dbraw/zinc/69/63/28/512696328.db2.gz SLEGLPACRYWQTJ-AEFFLSMTSA-N 1 3 358.530 2.843 20 0 FFADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000369987245 512714359 /nfs/dbraw/zinc/71/43/59/512714359.db2.gz RBRGCIXQGAEQBY-OALUTQOASA-N 1 3 370.541 2.943 20 0 FFADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000369987245 512714366 /nfs/dbraw/zinc/71/43/66/512714366.db2.gz RBRGCIXQGAEQBY-OALUTQOASA-N 1 3 370.541 2.943 20 0 FFADHO C[NH+](C)CC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000376522347 512856429 /nfs/dbraw/zinc/85/64/29/512856429.db2.gz YYIRLCMCVRBPJP-UHFFFAOYSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[N@@H+]1C ZINC000368233885 512857613 /nfs/dbraw/zinc/85/76/13/512857613.db2.gz ZYZVNRPVXUNMLQ-LNLFQRSKSA-N 1 3 371.525 2.821 20 0 FFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC[N@H+]1C ZINC000368233885 512857615 /nfs/dbraw/zinc/85/76/15/512857615.db2.gz ZYZVNRPVXUNMLQ-LNLFQRSKSA-N 1 3 371.525 2.821 20 0 FFADHO COc1cccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000372419529 512865068 /nfs/dbraw/zinc/86/50/68/512865068.db2.gz CSKVBRALAMJPTQ-YLJYHZDGSA-N 1 3 359.514 2.728 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411977679 512898705 /nfs/dbraw/zinc/89/87/05/512898705.db2.gz GHUGPZWCRRUVCD-HXUWFJFHSA-N 1 3 355.526 2.857 20 0 FFADHO CC1(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000368372994 512918974 /nfs/dbraw/zinc/91/89/74/512918974.db2.gz ACRYQJXIJAVTKU-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO CC1(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000368372994 512918981 /nfs/dbraw/zinc/91/89/81/512918981.db2.gz ACRYQJXIJAVTKU-HXUWFJFHSA-N 1 3 355.526 2.985 20 0 FFADHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000397506642 512946477 /nfs/dbraw/zinc/94/64/77/512946477.db2.gz JKNIPEHJXYASNV-AQNXPRMDSA-N 1 3 358.526 2.807 20 0 FFADHO CCOC(=O)C1CCC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC000397634618 512949206 /nfs/dbraw/zinc/94/92/06/512949206.db2.gz PEVWGOOZIYWVBH-UHFFFAOYSA-N 1 3 374.525 2.725 20 0 FFADHO C[C@@H]1[C@@H](CO)CCCN1Cc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000412097580 512959190 /nfs/dbraw/zinc/95/91/90/512959190.db2.gz VFMNEMHRCXJGRP-YHBROIRLSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@@H](CO)CCCN1Cc1cccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000412097580 512959194 /nfs/dbraw/zinc/95/91/94/512959194.db2.gz VFMNEMHRCXJGRP-YHBROIRLSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000412097580 512959198 /nfs/dbraw/zinc/95/91/98/512959198.db2.gz VFMNEMHRCXJGRP-YHBROIRLSA-N 1 3 360.542 2.872 20 0 FFADHO C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000412097580 512959202 /nfs/dbraw/zinc/95/92/02/512959202.db2.gz VFMNEMHRCXJGRP-YHBROIRLSA-N 1 3 360.542 2.872 20 0 FFADHO CCC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000376760290 512975113 /nfs/dbraw/zinc/97/51/13/512975113.db2.gz JSANLWDISRJRAD-LJQANCHMSA-N 1 3 358.530 2.640 20 0 FFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000368797884 513107310 /nfs/dbraw/zinc/10/73/10/513107310.db2.gz NOESWEJVKZWIFG-VQTJNVASSA-N 1 3 370.541 2.682 20 0 FFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000368797884 513107313 /nfs/dbraw/zinc/10/73/13/513107313.db2.gz NOESWEJVKZWIFG-VQTJNVASSA-N 1 3 370.541 2.682 20 0 FFADHO CCCN(C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417655496 513140658 /nfs/dbraw/zinc/14/06/58/513140658.db2.gz SXRWIXGHRFUETD-HXUWFJFHSA-N 1 3 358.530 2.825 20 0 FFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417668897 513150243 /nfs/dbraw/zinc/15/02/43/513150243.db2.gz LECQJIMDEAIDEN-HXUWFJFHSA-N 1 3 370.541 2.826 20 0 FFADHO Cc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OCCN(C)C)c1 ZINC000415200508 513150283 /nfs/dbraw/zinc/15/02/83/513150283.db2.gz FNJJGRJTVXBKGC-SJPCQFCGSA-N 1 3 360.502 2.682 20 0 FFADHO CN(C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000417730225 513184327 /nfs/dbraw/zinc/18/43/27/513184327.db2.gz DGRSROYRCIARJO-WMLDXEAASA-N 1 3 350.532 2.524 20 0 FFADHO CCCN(C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@H]1CC[NH2+]C1 ZINC000417743909 513191454 /nfs/dbraw/zinc/19/14/54/513191454.db2.gz XTFDVCRIIQBYNL-BQFCYCMXSA-N 1 3 364.559 2.915 20 0 FFADHO C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417743916 513192388 /nfs/dbraw/zinc/19/23/88/513192388.db2.gz MFZZTFYMELRKBD-DUVNUKRYSA-N 1 3 372.435 2.735 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NCC1CC[NH+](C2CC2)CC1 ZINC000428865660 513212776 /nfs/dbraw/zinc/21/27/76/513212776.db2.gz WTTDEXHMMYIBBW-NRFANRHFSA-N 1 3 370.541 2.825 20 0 FFADHO C[C@H](CCNC(=O)NCc1ccc2c(c1)CNC2)[N@H+](C)Cc1ccccc1 ZINC000417816553 513220584 /nfs/dbraw/zinc/22/05/84/513220584.db2.gz QEKWBHDIOVQLMA-QGZVFWFLSA-N 1 3 366.509 3.000 20 0 FFADHO C[C@H](CCNC(=O)NCc1ccc2c(c1)CNC2)[N@@H+](C)Cc1ccccc1 ZINC000417816553 513220591 /nfs/dbraw/zinc/22/05/91/513220591.db2.gz QEKWBHDIOVQLMA-QGZVFWFLSA-N 1 3 366.509 3.000 20 0 FFADHO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000428951206 513231260 /nfs/dbraw/zinc/23/12/60/513231260.db2.gz FDTBDJKSTOMBKW-YLJYHZDGSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CN1Cc1ccccc1 ZINC000417869679 513246872 /nfs/dbraw/zinc/24/68/72/513246872.db2.gz HMVMGMDIKBYITJ-PMXSJFBMSA-N 1 3 370.541 2.681 20 0 FFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000417873420 513248507 /nfs/dbraw/zinc/24/85/07/513248507.db2.gz LRSWBQASBGIVIW-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CN1Cc1ccccc1 ZINC000417884630 513253843 /nfs/dbraw/zinc/25/38/43/513253843.db2.gz XNYRPBBALSVTRU-UIFIKXQLSA-N 1 3 370.541 2.823 20 0 FFADHO C[NH+](C)C1(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CCC1 ZINC000446568019 513281757 /nfs/dbraw/zinc/28/17/57/513281757.db2.gz ZQAUCXUQZMCXBB-HNNXBMFYSA-N 1 3 350.532 2.669 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN[C@@H](C)[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000417933538 513285920 /nfs/dbraw/zinc/28/59/20/513285920.db2.gz XPYLDWFKJPZEHV-AJYBTWMASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1C[C@@H](CCNC(=O)N2CCN[C@@H](C)[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000417933538 513285928 /nfs/dbraw/zinc/28/59/28/513285928.db2.gz XPYLDWFKJPZEHV-AJYBTWMASA-N 1 3 358.530 2.679 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)CCN1Cc1ccccc1 ZINC000429133121 513287021 /nfs/dbraw/zinc/28/70/21/513287021.db2.gz GATYRKLJNHXBKC-HKUYNNGSSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417977207 513313359 /nfs/dbraw/zinc/31/33/59/513313359.db2.gz GYWIOMGWVLYFPP-GOSISDBHSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982544 513315645 /nfs/dbraw/zinc/31/56/45/513315645.db2.gz AJECDORJDYEYFT-DZFGPLHGSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417982544 513315653 /nfs/dbraw/zinc/31/56/53/513315653.db2.gz AJECDORJDYEYFT-DZFGPLHGSA-N 1 3 366.509 2.896 20 0 FFADHO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000450743767 513322804 /nfs/dbraw/zinc/32/28/04/513322804.db2.gz JBMCWLNSIRHMQJ-TZIWHRDSSA-N 1 3 359.558 2.501 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418032870 513343381 /nfs/dbraw/zinc/34/33/81/513343381.db2.gz MIYBFDFJUQJQAR-AQNXPRMDSA-N 1 3 360.546 2.960 20 0 FFADHO CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000446832171 513346251 /nfs/dbraw/zinc/34/62/51/513346251.db2.gz MUQTYCRTRTYLMD-GTIKPETHSA-N 1 3 358.526 2.807 20 0 FFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418044001 513351289 /nfs/dbraw/zinc/35/12/89/513351289.db2.gz ZMYMCBBZZMFLTC-UFYCRDLUSA-N 1 3 358.530 2.536 20 0 FFADHO Cc1cc(NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)cc[nH+]1 ZINC000450818119 513353870 /nfs/dbraw/zinc/35/38/70/513353870.db2.gz ZJKPYSZLSANYTH-UHFFFAOYSA-N 1 3 366.509 2.595 20 0 FFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434647964 513379064 /nfs/dbraw/zinc/37/90/64/513379064.db2.gz WRVOVFYHFBUNNC-QZTJIDSGSA-N 1 3 359.514 2.997 20 0 FFADHO CN(c1ccccc1C[NH2+][C@@H]1CCN(CC(F)F)C1)C1CCN(C)CC1 ZINC000418130671 513384217 /nfs/dbraw/zinc/38/42/17/513384217.db2.gz GVUONZNPPHQDGP-QGZVFWFLSA-N 1 3 366.500 2.646 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000418139894 513388199 /nfs/dbraw/zinc/38/81/99/513388199.db2.gz KDKHZFJIHBBUFF-FXAWDEMLSA-N 1 3 358.530 2.586 20 0 FFADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418153146 513394483 /nfs/dbraw/zinc/39/44/83/513394483.db2.gz IIYYKIWXLABNOS-RTBURBONSA-N 1 3 358.530 2.681 20 0 FFADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418159350 513396764 /nfs/dbraw/zinc/39/67/64/513396764.db2.gz ABKHVLSZBGKCEW-DLBZAZTESA-N 1 3 352.910 2.726 20 0 FFADHO CCCN(C)[C@@H](CNC(=O)NCC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418162790 513400075 /nfs/dbraw/zinc/40/00/75/513400075.db2.gz CZEQDPAWZTYNRP-SFHVURJKSA-N 1 3 364.921 2.942 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccco1 ZINC000418172953 513404894 /nfs/dbraw/zinc/40/48/94/513404894.db2.gz XSIOMTQSOCLCLN-GDAAHCPNSA-N 1 3 370.497 2.845 20 0 FFADHO C[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[C@H](c1ccccc1)N(C)C ZINC000418192917 513414848 /nfs/dbraw/zinc/41/48/48/513414848.db2.gz ZETFFNSWFANJGR-FFZOFVMBSA-N 1 3 358.530 2.709 20 0 FFADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000418210110 513423326 /nfs/dbraw/zinc/42/33/26/513423326.db2.gz SFTILOJRVLCTBG-MAUKXSAKSA-N 1 3 350.507 2.503 20 0 FFADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415801066 513427375 /nfs/dbraw/zinc/42/73/75/513427375.db2.gz FUCKBWCDQMNQGO-VXGBXAGGSA-N 1 3 354.882 2.670 20 0 FFADHO CSc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)N(C)C)cc1 ZINC000418226215 513430709 /nfs/dbraw/zinc/43/07/09/513430709.db2.gz ASHHIKKCMVXIRI-QZTJIDSGSA-N 1 3 364.559 2.828 20 0 FFADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000418235664 513435629 /nfs/dbraw/zinc/43/56/29/513435629.db2.gz SQIAIUJZOIHDNV-RYRKJORJSA-N 1 3 362.543 2.547 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000429681666 513441645 /nfs/dbraw/zinc/44/16/45/513441645.db2.gz WIJFRGDPUDUMGU-OYRHEFFESA-N 1 3 358.574 2.609 20 0 FFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000429681666 513441649 /nfs/dbraw/zinc/44/16/49/513441649.db2.gz WIJFRGDPUDUMGU-OYRHEFFESA-N 1 3 358.574 2.609 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000440964275 513448022 /nfs/dbraw/zinc/44/80/22/513448022.db2.gz XOLMSIMQABMDEM-YYIAUSFCSA-N 1 3 350.551 2.667 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CN1C1CC1 ZINC000440964275 513448029 /nfs/dbraw/zinc/44/80/29/513448029.db2.gz XOLMSIMQABMDEM-YYIAUSFCSA-N 1 3 350.551 2.667 20 0 FFADHO C[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000418314946 513460027 /nfs/dbraw/zinc/46/00/27/513460027.db2.gz TYWSKXOEGPIZPC-FYZZASKESA-N 1 3 370.541 2.538 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000418325556 513463678 /nfs/dbraw/zinc/46/36/78/513463678.db2.gz JBICGAWXOBFESA-ZCNNSNEGSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000418325556 513463683 /nfs/dbraw/zinc/46/36/83/513463683.db2.gz JBICGAWXOBFESA-ZCNNSNEGSA-N 1 3 358.530 2.936 20 0 FFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000418326911 513465733 /nfs/dbraw/zinc/46/57/33/513465733.db2.gz LSFCGMYXDUSVTJ-YLJYHZDGSA-N 1 3 358.530 2.937 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000415896609 513467290 /nfs/dbraw/zinc/46/72/90/513467290.db2.gz OGPRSYMRMONFFH-JXFKEZNVSA-N 1 3 354.498 2.813 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000415896609 513467296 /nfs/dbraw/zinc/46/72/96/513467296.db2.gz OGPRSYMRMONFFH-JXFKEZNVSA-N 1 3 354.498 2.813 20 0 FFADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000418331976 513467587 /nfs/dbraw/zinc/46/75/87/513467587.db2.gz CZIWHYQDVMUAAN-QRTARXTBSA-N 1 3 352.910 2.630 20 0 FFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000418336987 513471023 /nfs/dbraw/zinc/47/10/23/513471023.db2.gz IPZDFIHAAOPYLA-DOTOQJQBSA-N 1 3 366.937 2.801 20 0 FFADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418342323 513473198 /nfs/dbraw/zinc/47/31/98/513473198.db2.gz MVDRVMFFJLKKHR-RBBKRZOGSA-N 1 3 370.541 2.684 20 0 FFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415949159 513494523 /nfs/dbraw/zinc/49/45/23/513494523.db2.gz BIOJQKOWJVAWNQ-LBPRGKRZSA-N 1 3 358.408 2.970 20 0 FFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415949159 513494529 /nfs/dbraw/zinc/49/45/29/513494529.db2.gz BIOJQKOWJVAWNQ-LBPRGKRZSA-N 1 3 358.408 2.970 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000418393988 513494714 /nfs/dbraw/zinc/49/47/14/513494714.db2.gz FXPIQKKVBPILNH-SGZDXZSOSA-N 1 3 358.530 2.951 20 0 FFADHO CN(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418428501 513505939 /nfs/dbraw/zinc/50/59/39/513505939.db2.gz MNRSZEAXKFSJLL-SFTDATJTSA-N 1 3 366.509 2.992 20 0 FFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418430590 513506508 /nfs/dbraw/zinc/50/65/08/513506508.db2.gz PKGMALROXQJLRR-CTNGQTDRSA-N 1 3 366.509 2.850 20 0 FFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418430590 513506516 /nfs/dbraw/zinc/50/65/16/513506516.db2.gz PKGMALROXQJLRR-CTNGQTDRSA-N 1 3 366.509 2.850 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415971758 513507806 /nfs/dbraw/zinc/50/78/06/513507806.db2.gz HHPIHHRBYMHRJO-FQEVSTJZSA-N 1 3 370.497 2.976 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000415977658 513513576 /nfs/dbraw/zinc/51/35/76/513513576.db2.gz SVRVZCIDIDJAEL-SFHVURJKSA-N 1 3 358.486 2.555 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000415977658 513513580 /nfs/dbraw/zinc/51/35/80/513513580.db2.gz SVRVZCIDIDJAEL-SFHVURJKSA-N 1 3 358.486 2.555 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415996894 513528239 /nfs/dbraw/zinc/52/82/39/513528239.db2.gz QLVORNDZTLCDFQ-CABCVRRESA-N 1 3 360.424 2.648 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N2CCCC2)cc1 ZINC000415999322 513529420 /nfs/dbraw/zinc/52/94/20/513529420.db2.gz VVMGWTGAGKAGLA-JKSUJKDBSA-N 1 3 372.435 2.711 20 0 FFADHO CN(c1ccccc1)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cn1 ZINC000441358155 513549994 /nfs/dbraw/zinc/54/99/94/513549994.db2.gz PAHVZNTWTLQMQK-UHFFFAOYSA-N 1 3 367.541 2.965 20 0 FFADHO CCN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418548226 513553064 /nfs/dbraw/zinc/55/30/64/513553064.db2.gz KMTSSHJLSBICSA-DFQSSKMNSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000418608913 513574894 /nfs/dbraw/zinc/57/48/94/513574894.db2.gz ZKEYEPUWWZCKHJ-NQIIRXRSSA-N 1 3 370.541 2.991 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418613388 513577585 /nfs/dbraw/zinc/57/75/85/513577585.db2.gz FKIZWGGBHGAVGF-FQEVSTJZSA-N 1 3 373.545 2.847 20 0 FFADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418663472 513600356 /nfs/dbraw/zinc/60/03/56/513600356.db2.gz GXUGVVGVSPDAFQ-WKILWMFISA-N 1 3 352.548 2.586 20 0 FFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418711389 513619977 /nfs/dbraw/zinc/61/99/77/513619977.db2.gz FNWTVWSFBKNRMO-MAUKXSAKSA-N 1 3 366.937 2.931 20 0 FFADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000418718676 513623514 /nfs/dbraw/zinc/62/35/14/513623514.db2.gz DOVDDEBNDOFAGL-RLLQIKCJSA-N 1 3 358.530 2.810 20 0 FFADHO C[NH+](C)[C@H](CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccccc1 ZINC000416234393 513664276 /nfs/dbraw/zinc/66/42/76/513664276.db2.gz NVDPJAKSAIQYIL-NHCUHLMSSA-N 1 3 367.493 2.885 20 0 FFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000430588189 513697989 /nfs/dbraw/zinc/69/79/89/513697989.db2.gz YSACURGUMWZYAM-CHWSQXEVSA-N 1 3 354.292 2.837 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000425692690 513705554 /nfs/dbraw/zinc/70/55/54/513705554.db2.gz QDBAHCPCTBMNSL-MJUUVYJYSA-N 1 3 370.541 2.775 20 0 FFADHO C[C@H]1C[C@H](NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000425692690 513705558 /nfs/dbraw/zinc/70/55/58/513705558.db2.gz QDBAHCPCTBMNSL-MJUUVYJYSA-N 1 3 370.541 2.775 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448209757 513708030 /nfs/dbraw/zinc/70/80/30/513708030.db2.gz UGICKQSXFIWHLP-RTBURBONSA-N 1 3 352.567 2.918 20 0 FFADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448209757 513708038 /nfs/dbraw/zinc/70/80/38/513708038.db2.gz UGICKQSXFIWHLP-RTBURBONSA-N 1 3 352.567 2.918 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000448221203 513711150 /nfs/dbraw/zinc/71/11/50/513711150.db2.gz WXGVIZKSWASVCV-GBESFXJTSA-N 1 3 352.567 2.774 20 0 FFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000448221203 513711157 /nfs/dbraw/zinc/71/11/57/513711157.db2.gz WXGVIZKSWASVCV-GBESFXJTSA-N 1 3 352.567 2.774 20 0 FFADHO CCCN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000430696933 513726527 /nfs/dbraw/zinc/72/65/27/513726527.db2.gz RAFNFJJIVZTIFI-LEWJYISDSA-N 1 3 373.541 2.658 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430768759 513744351 /nfs/dbraw/zinc/74/43/51/513744351.db2.gz ZPXBUMQARZBHQU-DBXWQHBBSA-N 1 3 373.541 2.549 20 0 FFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430886615 513772786 /nfs/dbraw/zinc/77/27/86/513772786.db2.gz BXYZGIZPEWHJAZ-IAGOWNOFSA-N 1 3 356.514 2.983 20 0 FFADHO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC([C@H](C)[NH3+])CC1 ZINC000430931717 513784797 /nfs/dbraw/zinc/78/47/97/513784797.db2.gz CGPZOHLXFICKOO-QWHCGFSZSA-N 1 3 355.885 2.885 20 0 FFADHO C[C@H]([NH3+])C1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000430935595 513785949 /nfs/dbraw/zinc/78/59/49/513785949.db2.gz QXRNFWQSLVURRG-GUYCJALGSA-N 1 3 367.440 2.843 20 0 FFADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000443061012 513858995 /nfs/dbraw/zinc/85/89/95/513858995.db2.gz QNDXQPXMSQIANU-KRWDZBQOSA-N 1 3 359.514 2.685 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cc(F)ccc2OC)CC[NH2+]CC1 ZINC000422692960 513905703 /nfs/dbraw/zinc/90/57/03/513905703.db2.gz LECHCWYHESZNDP-KBPBESRZSA-N 1 3 352.450 2.806 20 0 FFADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422700318 513906145 /nfs/dbraw/zinc/90/61/45/513906145.db2.gz GKSBRRSILKAQDI-PWRODBHTSA-N 1 3 357.542 2.570 20 0 FFADHO C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443232911 513907694 /nfs/dbraw/zinc/90/76/94/513907694.db2.gz XZRCSRGEQOONAI-MJGOQNOKSA-N 1 3 360.546 2.927 20 0 FFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000422745967 513920862 /nfs/dbraw/zinc/92/08/62/513920862.db2.gz NCKGLKXWMXXNQJ-KSSFIOAISA-N 1 3 360.527 2.634 20 0 FFADHO CCOC(=O)C1([C@H](C)NCc2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000422799642 513936372 /nfs/dbraw/zinc/93/63/72/513936372.db2.gz XUHCZOMVIOJGBC-ZDUSSCGKSA-N 1 3 356.413 2.699 20 0 FFADHO Cc1cc(N2CCC([NH2+][C@H](Cc3ccccc3)[C@@H](C)N)CC2)nc(C)n1 ZINC000422842055 513949685 /nfs/dbraw/zinc/94/96/85/513949685.db2.gz XKTNONWFDZJFFG-OXQOHEQNSA-N 1 3 353.514 2.610 20 0 FFADHO Cc1cc(N2CCC(N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])CC2)nc(C)n1 ZINC000422842055 513949689 /nfs/dbraw/zinc/94/96/89/513949689.db2.gz XKTNONWFDZJFFG-OXQOHEQNSA-N 1 3 353.514 2.610 20 0 FFADHO COC1CCN(C2(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)N)CCCC2)CC1 ZINC000422884730 513962137 /nfs/dbraw/zinc/96/21/37/513962137.db2.gz FMROJOLJUMZWCL-RXVVDRJESA-N 1 3 359.558 2.958 20 0 FFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416801101 513972639 /nfs/dbraw/zinc/97/26/39/513972639.db2.gz GNZVIQJYNVHQTL-PMACEKPBSA-N 1 3 354.498 2.851 20 0 FFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCNCC[C@@H]3C)CC2)cs1 ZINC000422915996 513975481 /nfs/dbraw/zinc/97/54/81/513975481.db2.gz ZODZPRISHVEYCU-MAUKXSAKSA-N 1 3 350.576 2.895 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422936314 513981169 /nfs/dbraw/zinc/98/11/69/513981169.db2.gz BIBBFDCNJDGIBI-WDSOQIARSA-N 1 3 351.922 2.820 20 0 FFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416828366 513987030 /nfs/dbraw/zinc/98/70/30/513987030.db2.gz RXYNOTODOLVAND-IEBWSBKVSA-N 1 3 362.518 2.649 20 0 FFADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416831568 513988494 /nfs/dbraw/zinc/98/84/94/513988494.db2.gz HNSDNKRWWNAORW-HZPDHXFCSA-N 1 3 352.548 2.818 20 0 FFADHO c1cnc2c(c1)cccc2OCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422952200 513988401 /nfs/dbraw/zinc/98/84/01/513988401.db2.gz AJXHAYTTWNTVJN-GBESFXJTSA-N 1 3 355.482 2.750 20 0 FFADHO c1cc(CN2CCSCC2)cc(N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422953565 513989987 /nfs/dbraw/zinc/98/99/87/513989987.db2.gz FQUKUNMJCLYRTB-SLFFLAALSA-N 1 3 361.555 2.804 20 0 FFADHO O[C@@H]1C[C@H](C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)N(Cc2ccccc2)C1 ZINC000422965076 513993738 /nfs/dbraw/zinc/99/37/38/513993738.db2.gz NMVTZFZFGADQDP-ODAXIHTASA-N 1 3 365.521 2.705 20 0 FFADHO O[C@@H]1C[C@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)N(Cc2ccccc2)C1 ZINC000422965076 513993747 /nfs/dbraw/zinc/99/37/47/513993747.db2.gz NMVTZFZFGADQDP-ODAXIHTASA-N 1 3 365.521 2.705 20 0 FFADHO CC1CCN([C@H](CNC(=O)N2CCC[NH2+]CC2)c2cccs2)CC1 ZINC000416841191 513995227 /nfs/dbraw/zinc/99/52/27/513995227.db2.gz LRBKVIYWVILTRD-MRXNPFEDSA-N 1 3 350.532 2.526 20 0 FFADHO CC1(C)COC[C@H]1NCc1cc(C[NH2+][C@@H]2COCC2(C)C)ccc1F ZINC000451813646 513997482 /nfs/dbraw/zinc/99/74/82/513997482.db2.gz RNTGVDVWKVXHSF-QZTJIDSGSA-N 1 3 350.478 2.855 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000416846538 513999563 /nfs/dbraw/zinc/99/95/63/513999563.db2.gz UIXKTTIESBJJSF-IYWMVGAKSA-N 1 3 358.530 2.757 20 0 FFADHO CN1CCC(C[NH2+][C@@H]2CCCc3cc(F)ccc32)(N2CCOCC2)CC1 ZINC000414182408 514000056 /nfs/dbraw/zinc/00/00/56/514000056.db2.gz DFKBWDLBMQKNGP-HXUWFJFHSA-N 1 3 361.505 2.589 20 0 FFADHO Cc1cc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C)s1 ZINC000414181650 514000565 /nfs/dbraw/zinc/00/05/65/514000565.db2.gz CFHOHHAFNZRXLK-INIZCTEOSA-N 1 3 351.560 2.812 20 0 FFADHO Cc1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc(C)c1F ZINC000414181058 514000659 /nfs/dbraw/zinc/00/06/59/514000659.db2.gz BTLLZDXPSCGSNM-GOSISDBHSA-N 1 3 363.521 2.890 20 0 FFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000422993147 514002410 /nfs/dbraw/zinc/00/24/10/514002410.db2.gz SLNIOAZQADXZRQ-VYDXJSESSA-N 1 3 360.420 2.843 20 0 FFADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccsc1 ZINC000414187097 514003787 /nfs/dbraw/zinc/00/37/87/514003787.db2.gz HZJZIELVSBQHRY-GOSISDBHSA-N 1 3 351.560 2.976 20 0 FFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000414192014 514005125 /nfs/dbraw/zinc/00/51/25/514005125.db2.gz LTJJSXNJLWFKGV-IBGZPJMESA-N 1 3 359.558 2.739 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000443622329 514007514 /nfs/dbraw/zinc/00/75/14/514007514.db2.gz BLFWVZQQCVTNAA-LFGUQSLTSA-N 1 3 358.530 2.804 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000443622329 514007522 /nfs/dbraw/zinc/00/75/22/514007522.db2.gz BLFWVZQQCVTNAA-LFGUQSLTSA-N 1 3 358.530 2.804 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCOc3c(F)cccc32)CC[NH2+]CC1 ZINC000423044186 514016193 /nfs/dbraw/zinc/01/61/93/514016193.db2.gz QOSZJQHDJGCSEO-WMLDXEAASA-N 1 3 364.461 2.950 20 0 FFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414293550 514035560 /nfs/dbraw/zinc/03/55/60/514035560.db2.gz BNJUCFMRMXFUSB-QGZVFWFLSA-N 1 3 362.514 2.723 20 0 FFADHO CCc1ncc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000414295767 514036923 /nfs/dbraw/zinc/03/69/23/514036923.db2.gz RACKMDJCZVVEAG-UHFFFAOYSA-N 1 3 353.514 2.731 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)N[C@H](C)C1C[NH2+]C1 ZINC000423095063 514039018 /nfs/dbraw/zinc/03/90/18/514039018.db2.gz LGPZJWWQSMMLBD-VXGBXAGGSA-N 1 3 358.267 2.810 20 0 FFADHO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)C1CNC1 ZINC000423095063 514039014 /nfs/dbraw/zinc/03/90/14/514039014.db2.gz LGPZJWWQSMMLBD-VXGBXAGGSA-N 1 3 358.267 2.810 20 0 FFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423106421 514044132 /nfs/dbraw/zinc/04/41/32/514044132.db2.gz CRJQVYQXHWVNIA-YLJYHZDGSA-N 1 3 366.509 2.733 20 0 FFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CS(C)(=O)=O)CCC2)CC1 ZINC000414323567 514047179 /nfs/dbraw/zinc/04/71/79/514047179.db2.gz HLVIASOJQLHWEW-AEFFLSMTSA-N 1 3 356.576 2.834 20 0 FFADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414349272 514059238 /nfs/dbraw/zinc/05/92/38/514059238.db2.gz YOTNFSBCUWOKMO-NHCUHLMSSA-N 1 3 373.541 2.679 20 0 FFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423149441 514060365 /nfs/dbraw/zinc/06/03/65/514060365.db2.gz AQJBWBTTYULZRR-KBRIMQKVSA-N 1 3 373.310 2.989 20 0 FFADHO CC(C)[C@H](CNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000449076993 514061836 /nfs/dbraw/zinc/06/18/36/514061836.db2.gz QIMSAWJLYHACPC-LPHOPBHVSA-N 1 3 352.544 2.904 20 0 FFADHO Cc1ccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414360088 514064561 /nfs/dbraw/zinc/06/45/61/514064561.db2.gz FZCZXWSZGXIFFV-UHFFFAOYSA-N 1 3 354.498 2.946 20 0 FFADHO C[C@@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CN1CCCCC1 ZINC000449085970 514067474 /nfs/dbraw/zinc/06/74/74/514067474.db2.gz ARRQPAJBTGJPCO-DLBZAZTESA-N 1 3 352.544 2.905 20 0 FFADHO C[C@@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC000449085970 514067477 /nfs/dbraw/zinc/06/74/77/514067477.db2.gz ARRQPAJBTGJPCO-DLBZAZTESA-N 1 3 352.544 2.905 20 0 FFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2nc3c(s2)CCC3)CC[NH2+]CC1 ZINC000423169672 514068462 /nfs/dbraw/zinc/06/84/62/514068462.db2.gz KAZPADHYYXGDPK-OLZOCXBDSA-N 1 3 351.516 2.604 20 0 FFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000416972246 514077533 /nfs/dbraw/zinc/07/75/33/514077533.db2.gz RPMMUGWOPXSQMY-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCNC(C)(C)C2)C1 ZINC000416972246 514077542 /nfs/dbraw/zinc/07/75/42/514077542.db2.gz RPMMUGWOPXSQMY-QGZVFWFLSA-N 1 3 358.530 2.812 20 0 FFADHO COCCN1CCC[C@H]1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449115975 514078880 /nfs/dbraw/zinc/07/88/80/514078880.db2.gz JLKDSTCTBBUBMW-UGKGYDQZSA-N 1 3 359.558 2.782 20 0 FFADHO COCCN1CCC[C@H]1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449115975 514078884 /nfs/dbraw/zinc/07/88/84/514078884.db2.gz JLKDSTCTBBUBMW-UGKGYDQZSA-N 1 3 359.558 2.782 20 0 FFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000449120297 514080132 /nfs/dbraw/zinc/08/01/32/514080132.db2.gz CJSUMVFJKUXQOL-GCJKJVERSA-N 1 3 357.542 2.535 20 0 FFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]21 ZINC000420300684 514080621 /nfs/dbraw/zinc/08/06/21/514080621.db2.gz DAEWMUOOEJTRIO-VGOVLVCLSA-N 1 3 351.853 2.644 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[C@H](C)CN1 ZINC000416979945 514088207 /nfs/dbraw/zinc/08/82/07/514088207.db2.gz SZAVTYURYUUSCS-KZNAEPCWSA-N 1 3 358.530 2.953 20 0 FFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[C@H](C)CN1 ZINC000416979945 514088214 /nfs/dbraw/zinc/08/82/14/514088214.db2.gz SZAVTYURYUUSCS-KZNAEPCWSA-N 1 3 358.530 2.953 20 0 FFADHO Cc1ccccc1CN1CCC(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000416981742 514089602 /nfs/dbraw/zinc/08/96/02/514089602.db2.gz VNDYNGYLPSNMNW-MJGOQNOKSA-N 1 3 358.530 2.728 20 0 FFADHO N[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000416982615 514091200 /nfs/dbraw/zinc/09/12/00/514091200.db2.gz MJLLDNKDELJSMW-HXUWFJFHSA-N 1 3 352.482 2.782 20 0 FFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1=O ZINC000420321934 514092969 /nfs/dbraw/zinc/09/29/69/514092969.db2.gz DGBJSAWULURXDQ-HLIPFELVSA-N 1 3 359.489 2.951 20 0 FFADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2(N(C)C)CCOCC2)CC1 ZINC000449153232 514094507 /nfs/dbraw/zinc/09/45/07/514094507.db2.gz JBQQZUYJKWMTCX-LJQANCHMSA-N 1 3 359.558 2.782 20 0 FFADHO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420326291 514095266 /nfs/dbraw/zinc/09/52/66/514095266.db2.gz XDAYJTROMZTDCX-QXAKKESOSA-N 1 3 361.530 2.754 20 0 FFADHO Cc1ccc(CN(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C2CC2)cc1 ZINC000420326040 514095421 /nfs/dbraw/zinc/09/54/21/514095421.db2.gz JBNLNCRLDBGDEC-PMACEKPBSA-N 1 3 355.526 2.808 20 0 FFADHO CCC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000449160041 514098017 /nfs/dbraw/zinc/09/80/17/514098017.db2.gz KJUKNDHOAXKMEB-AWEZNQCLSA-N 1 3 359.436 2.984 20 0 FFADHO CS(=O)(=O)c1cccc([C@@H](NCCCC[NH3+])c2ccc(F)cc2)c1 ZINC000423334144 514112248 /nfs/dbraw/zinc/11/22/48/514112248.db2.gz SDFCJLBZNPCMGT-SFHVURJKSA-N 1 3 350.459 2.647 20 0 FFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000420380865 514116839 /nfs/dbraw/zinc/11/68/39/514116839.db2.gz OONLYHUTKKCYDR-QUCCMNQESA-N 1 3 370.497 2.888 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccsc1 ZINC000417014168 514119832 /nfs/dbraw/zinc/11/98/32/514119832.db2.gz ZUHALYQBMDKSNL-BHYGNILZSA-N 1 3 352.548 2.757 20 0 FFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423372133 514120456 /nfs/dbraw/zinc/12/04/56/514120456.db2.gz GUNMWUVNXYLGMI-CQSZACIVSA-N 1 3 359.495 2.902 20 0 FFADHO COC(=O)c1cc2cc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)ccc2o1 ZINC000420384379 514120533 /nfs/dbraw/zinc/12/05/33/514120533.db2.gz RRNACUJIPWHLEC-XLIONFOSSA-N 1 3 372.465 2.938 20 0 FFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000417015275 514121151 /nfs/dbraw/zinc/12/11/51/514121151.db2.gz FJGUXOAQTBAGIC-IPELMVKDSA-N 1 3 362.493 2.526 20 0 FFADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000423385329 514125473 /nfs/dbraw/zinc/12/54/73/514125473.db2.gz QTKQUOSZZLMJGY-FQEVSTJZSA-N 1 3 361.530 2.583 20 0 FFADHO CCc1nc2c(s1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423391428 514126199 /nfs/dbraw/zinc/12/61/99/514126199.db2.gz PKQFFXYKRLBGJU-DGCLKSJQSA-N 1 3 362.465 2.509 20 0 FFADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000444129671 514130641 /nfs/dbraw/zinc/13/06/41/514130641.db2.gz RZWQKGISAVZNQC-KURKYZTESA-N 1 3 353.551 2.597 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000417048238 514141135 /nfs/dbraw/zinc/14/11/35/514141135.db2.gz RDMPXZDLDYIQCN-CALCHBBNSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000417048238 514141144 /nfs/dbraw/zinc/14/11/44/514141144.db2.gz RDMPXZDLDYIQCN-CALCHBBNSA-N 1 3 358.530 2.847 20 0 FFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417049509 514142608 /nfs/dbraw/zinc/14/26/08/514142608.db2.gz UICYBPQZIDHGHM-YLJYHZDGSA-N 1 3 358.530 2.827 20 0 FFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417049509 514142615 /nfs/dbraw/zinc/14/26/15/514142615.db2.gz UICYBPQZIDHGHM-YLJYHZDGSA-N 1 3 358.530 2.827 20 0 FFADHO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000414555374 514177365 /nfs/dbraw/zinc/17/73/65/514177365.db2.gz MGNNGEJFGHZPHD-CTNGQTDRSA-N 1 3 373.541 2.679 20 0 FFADHO C[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000449352043 514177536 /nfs/dbraw/zinc/17/75/36/514177536.db2.gz RXVKBXHXKCDEBL-GCJKJVERSA-N 1 3 351.494 2.554 20 0 FFADHO Cc1cccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414556715 514178339 /nfs/dbraw/zinc/17/83/39/514178339.db2.gz OSZNXSVDGOGWCE-UHFFFAOYSA-N 1 3 351.494 2.982 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000449397667 514195315 /nfs/dbraw/zinc/19/53/15/514195315.db2.gz RIMIUVKWBDNNGU-MYDTUXCISA-N 1 3 371.569 2.724 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417179378 514213823 /nfs/dbraw/zinc/21/38/23/514213823.db2.gz FOJSBDAIHCAICX-WOJBJXKFSA-N 1 3 372.557 2.579 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437772039 514232459 /nfs/dbraw/zinc/23/24/59/514232459.db2.gz ILAUBGHIQUXPKI-IEBWSBKVSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437772039 514232467 /nfs/dbraw/zinc/23/24/67/514232467.db2.gz ILAUBGHIQUXPKI-IEBWSBKVSA-N 1 3 350.551 2.957 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000417223776 514243507 /nfs/dbraw/zinc/24/35/07/514243507.db2.gz SXJCHFPKPLMYJF-PBASOCQRSA-N 1 3 370.541 2.853 20 0 FFADHO CCCN(C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417225910 514244006 /nfs/dbraw/zinc/24/40/06/514244006.db2.gz YVGINVNKPKSPEB-MJGOQNOKSA-N 1 3 358.530 2.996 20 0 FFADHO C[C@H](CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000423845168 514258780 /nfs/dbraw/zinc/25/87/80/514258780.db2.gz JUDDOGSMBRZLQG-IAGOWNOFSA-N 1 3 358.530 2.749 20 0 FFADHO Cc1ccccc1C1CC([N@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)C1 ZINC000414743175 514268776 /nfs/dbraw/zinc/26/87/76/514268776.db2.gz NBDQDTAYQHXJER-ZJRDLVKKSA-N 1 3 355.526 2.903 20 0 FFADHO Cc1ccccc1C1CC([N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)C1 ZINC000414743175 514268783 /nfs/dbraw/zinc/26/87/83/514268783.db2.gz NBDQDTAYQHXJER-ZJRDLVKKSA-N 1 3 355.526 2.903 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000423916701 514286917 /nfs/dbraw/zinc/28/69/17/514286917.db2.gz ZGOURVXGTJGFQZ-HZEGPAAWSA-N 1 3 355.526 2.888 20 0 FFADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000423916701 514286925 /nfs/dbraw/zinc/28/69/25/514286925.db2.gz ZGOURVXGTJGFQZ-HZEGPAAWSA-N 1 3 355.526 2.888 20 0 FFADHO C[NH+](C)C1CCC(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000420770819 514287761 /nfs/dbraw/zinc/28/77/61/514287761.db2.gz ZTUPBNUOLNNSRI-UHFFFAOYSA-N 1 3 372.557 2.995 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000420787825 514298087 /nfs/dbraw/zinc/29/80/87/514298087.db2.gz CKGODOLDMTUBIW-VQTJNVASSA-N 1 3 358.530 2.559 20 0 FFADHO CC[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000420787825 514298092 /nfs/dbraw/zinc/29/80/92/514298092.db2.gz CKGODOLDMTUBIW-VQTJNVASSA-N 1 3 358.530 2.559 20 0 FFADHO CC1(C)CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCN1 ZINC000417349455 514305295 /nfs/dbraw/zinc/30/52/95/514305295.db2.gz FEOYOGIVEWSROE-UHFFFAOYSA-N 1 3 358.530 2.956 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000417354532 514307505 /nfs/dbraw/zinc/30/75/05/514307505.db2.gz MBXMZSAOZMDTFA-HSALFYBXSA-N 1 3 356.514 2.668 20 0 FFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000417357756 514309482 /nfs/dbraw/zinc/30/94/82/514309482.db2.gz SASFNBFNIOFSLY-AZUAARDMSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1NCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[C@H]1C ZINC000417360128 514310976 /nfs/dbraw/zinc/31/09/76/514310976.db2.gz XBJVCFQAZAKZOV-ROUUACIJSA-N 1 3 358.530 2.954 20 0 FFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414842115 514320117 /nfs/dbraw/zinc/32/01/17/514320117.db2.gz NTFYGXLEKOJLOG-KSSFIOAISA-N 1 3 363.502 2.918 20 0 FFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420843350 514331526 /nfs/dbraw/zinc/33/15/26/514331526.db2.gz WOGACBMDIKCBKH-ACAXCVFMSA-N 1 3 358.530 2.679 20 0 FFADHO C[C@@H]1[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000420848795 514333371 /nfs/dbraw/zinc/33/33/71/514333371.db2.gz SHZQKKAIWOFNCZ-SGZDXZSOSA-N 1 3 358.530 2.821 20 0 FFADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C[C@H]1C[NH3+] ZINC000424074489 514370193 /nfs/dbraw/zinc/37/01/93/514370193.db2.gz ODWJTTOTLMQKII-UKBAYJJMSA-N 1 3 361.505 2.870 20 0 FFADHO COCC1(CNCc2cccc(Br)c2OC)CC[NH2+]CC1 ZINC000414967705 514381062 /nfs/dbraw/zinc/38/10/62/514381062.db2.gz DGGGEHXIWHGILX-UHFFFAOYSA-N 1 3 357.292 2.564 20 0 FFADHO [NH3+]C1CCN(CCCC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CC1 ZINC000433127259 514391654 /nfs/dbraw/zinc/39/16/54/514391654.db2.gz HBSSEZGAHQYNFS-UHFFFAOYSA-N 1 3 367.453 2.965 20 0 FFADHO O=C1[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1C1CC1 ZINC000433128294 514392598 /nfs/dbraw/zinc/39/25/98/514392598.db2.gz LEJLQZWAOUEHLH-HXUWFJFHSA-N 1 3 353.510 2.738 20 0 FFADHO [NH3+]C[C@H]1CC[C@@H](NCc2c(F)ccc(I)c2F)C1 ZINC000415033157 514408690 /nfs/dbraw/zinc/40/86/90/514408690.db2.gz IRFNOOADPWDQGC-DTWKUNHWSA-N 1 3 366.193 2.786 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000452575944 514409302 /nfs/dbraw/zinc/40/93/02/514409302.db2.gz YLJJHOYMPXUSME-SFHVURJKSA-N 1 3 373.541 2.964 20 0 FFADHO CCN1CCN(c2ccccc2C[NH2+]CC2(CO)CC3(CCC3)C2)CC1 ZINC000433189074 514411254 /nfs/dbraw/zinc/41/12/54/514411254.db2.gz MYDURVGACGUHCN-UHFFFAOYSA-N 1 3 357.542 2.861 20 0 FFADHO CCN1CCC([N@@H+]2CCCN(CCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000420978701 514415600 /nfs/dbraw/zinc/41/56/00/514415600.db2.gz JPJAGQQCPXJHEU-UHFFFAOYSA-N 1 3 353.551 2.600 20 0 FFADHO CCN1CCC([N@H+]2CCCN(CCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000420978701 514415608 /nfs/dbraw/zinc/41/56/08/514415608.db2.gz JPJAGQQCPXJHEU-UHFFFAOYSA-N 1 3 353.551 2.600 20 0 FFADHO CC[NH+]1CCC(N2CCCN(CCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000420978701 514415615 /nfs/dbraw/zinc/41/56/15/514415615.db2.gz JPJAGQQCPXJHEU-UHFFFAOYSA-N 1 3 353.551 2.600 20 0 FFADHO CN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1=O ZINC000428247497 514431898 /nfs/dbraw/zinc/43/18/98/514431898.db2.gz OASIOIDNBNCHQL-XRXFAXGQSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1=O ZINC000428247497 514431904 /nfs/dbraw/zinc/43/19/04/514431904.db2.gz OASIOIDNBNCHQL-XRXFAXGQSA-N 1 3 355.526 2.888 20 0 FFADHO CN1C[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1=O ZINC000428247497 514431911 /nfs/dbraw/zinc/43/19/11/514431911.db2.gz OASIOIDNBNCHQL-XRXFAXGQSA-N 1 3 355.526 2.888 20 0 FFADHO NCC(=O)N1CCC[C@H](C[NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000415086970 514437043 /nfs/dbraw/zinc/43/70/43/514437043.db2.gz SJFRMOJGFNNOKS-GOSISDBHSA-N 1 3 367.493 2.519 20 0 FFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000415087836 514437844 /nfs/dbraw/zinc/43/78/44/514437844.db2.gz VFOZLHWVARQNFU-IBGZPJMESA-N 1 3 365.521 2.996 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000445220869 514445123 /nfs/dbraw/zinc/44/51/23/514445123.db2.gz VSDHSABVJVQPNW-MOPGFXCFSA-N 1 3 358.530 2.853 20 0 FFADHO CN1CC[C@@H](NC(=O)NCC[N@H+]2CCCC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000445220869 514445132 /nfs/dbraw/zinc/44/51/32/514445132.db2.gz VSDHSABVJVQPNW-MOPGFXCFSA-N 1 3 358.530 2.853 20 0 FFADHO CCCCOc1cccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424289614 514447644 /nfs/dbraw/zinc/44/76/44/514447644.db2.gz MCRUUTNNNYQEAH-SFHVURJKSA-N 1 3 373.541 2.946 20 0 FFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415123170 514454272 /nfs/dbraw/zinc/45/42/72/514454272.db2.gz JDBXLKQTIGPOTO-FQEVSTJZSA-N 1 3 370.545 2.532 20 0 FFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000415123170 514454275 /nfs/dbraw/zinc/45/42/75/514454275.db2.gz JDBXLKQTIGPOTO-FQEVSTJZSA-N 1 3 370.545 2.532 20 0 FFADHO FC(F)(F)c1ccnc(NCCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415125726 514455525 /nfs/dbraw/zinc/45/55/25/514455525.db2.gz SXGJNJVGCAOKGN-LSDHHAIUSA-N 1 3 365.403 2.990 20 0 FFADHO CC(C)c1ccc(CCN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415145413 514468172 /nfs/dbraw/zinc/46/81/72/514468172.db2.gz XCGFOCKMCIBGBQ-RTWAWAEBSA-N 1 3 370.541 2.573 20 0 FFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421070861 514468913 /nfs/dbraw/zinc/46/89/13/514468913.db2.gz UWRPMOXXZVFKOS-GOSISDBHSA-N 1 3 362.518 2.965 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000455425122 514514450 /nfs/dbraw/zinc/51/44/50/514514450.db2.gz DJGYTJPJXHCKHK-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000455425122 514514455 /nfs/dbraw/zinc/51/44/55/514514455.db2.gz DJGYTJPJXHCKHK-DFQSSKMNSA-N 1 3 358.530 2.633 20 0 FFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453067398 514533238 /nfs/dbraw/zinc/53/32/38/514533238.db2.gz XPTZVLHNRUTEPB-ZWKOTPCHSA-N 1 3 355.530 2.764 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466010530 514538980 /nfs/dbraw/zinc/53/89/80/514538980.db2.gz ATHMEUJABFMWRN-FUHIMQAGSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466010530 514538988 /nfs/dbraw/zinc/53/89/88/514538988.db2.gz ATHMEUJABFMWRN-FUHIMQAGSA-N 1 3 358.530 2.994 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000466044233 514548793 /nfs/dbraw/zinc/54/87/93/514548793.db2.gz TVUITJDUFWSLKZ-YJBOKZPZSA-N 1 3 366.937 2.896 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000466044233 514548799 /nfs/dbraw/zinc/54/87/99/514548799.db2.gz TVUITJDUFWSLKZ-YJBOKZPZSA-N 1 3 366.937 2.896 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475118351 514564107 /nfs/dbraw/zinc/56/41/07/514564107.db2.gz NHWZCDVVELWRCI-PZJWPPBQSA-N 1 3 370.541 2.919 20 0 FFADHO CN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475118351 514564112 /nfs/dbraw/zinc/56/41/12/514564112.db2.gz NHWZCDVVELWRCI-PZJWPPBQSA-N 1 3 370.541 2.919 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CN1Cc1ccccc1 ZINC000455517395 514569765 /nfs/dbraw/zinc/56/97/65/514569765.db2.gz AVMMMHGFZIWTBQ-FXAWDEMLSA-N 1 3 370.541 2.966 20 0 FFADHO C[NH+](C)CC(C)(C)NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000458122068 514575983 /nfs/dbraw/zinc/57/59/83/514575983.db2.gz XUGGZKNAUPIDMJ-UHFFFAOYSA-N 1 3 352.548 2.600 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CN1Cc1ccccc1 ZINC000466210928 514577666 /nfs/dbraw/zinc/57/76/66/514577666.db2.gz OMYWKQXNSQSMPD-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CN1Cc1ccccc1 ZINC000466210928 514577673 /nfs/dbraw/zinc/57/76/73/514577673.db2.gz OMYWKQXNSQSMPD-WSTZPKSXSA-N 1 3 358.530 2.681 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475178481 514579291 /nfs/dbraw/zinc/57/92/91/514579291.db2.gz QXXAJBMUPHZBEL-QUCCMNQESA-N 1 3 356.514 2.529 20 0 FFADHO CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475178481 514579293 /nfs/dbraw/zinc/57/92/93/514579293.db2.gz QXXAJBMUPHZBEL-QUCCMNQESA-N 1 3 356.514 2.529 20 0 FFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466221667 514582115 /nfs/dbraw/zinc/58/21/15/514582115.db2.gz VXCNHQSYPHLPBM-OXQOHEQNSA-N 1 3 358.530 2.809 20 0 FFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466221667 514582121 /nfs/dbraw/zinc/58/21/21/514582121.db2.gz VXCNHQSYPHLPBM-OXQOHEQNSA-N 1 3 358.530 2.809 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccsc1 ZINC000466231182 514583411 /nfs/dbraw/zinc/58/34/11/514583411.db2.gz OTTUEZFQOPFTGO-ZTFGCOKTSA-N 1 3 364.559 2.913 20 0 FFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccsc1 ZINC000466231182 514583417 /nfs/dbraw/zinc/58/34/17/514583417.db2.gz OTTUEZFQOPFTGO-ZTFGCOKTSA-N 1 3 364.559 2.913 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466238707 514586229 /nfs/dbraw/zinc/58/62/29/514586229.db2.gz RNTRPVLJBAKEIL-DFGXFYAUSA-N 1 3 350.551 2.525 20 0 FFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000466238707 514586232 /nfs/dbraw/zinc/58/62/32/514586232.db2.gz RNTRPVLJBAKEIL-DFGXFYAUSA-N 1 3 350.551 2.525 20 0 FFADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453300621 514592993 /nfs/dbraw/zinc/59/29/93/514592993.db2.gz YYZAYGGZJUERIE-MYDTUXCISA-N 1 3 371.569 2.866 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427043 514613053 /nfs/dbraw/zinc/61/30/53/514613053.db2.gz GDPGBJBKBKEQLD-SBHAEUEKSA-N 1 3 353.510 2.594 20 0 FFADHO O=C([C@@H]1CCCN1C1CC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427043 514613061 /nfs/dbraw/zinc/61/30/61/514613061.db2.gz GDPGBJBKBKEQLD-SBHAEUEKSA-N 1 3 353.510 2.594 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445479 514618231 /nfs/dbraw/zinc/61/82/31/514618231.db2.gz RWPZXBRQLYEFFN-BDTNDASRSA-N 1 3 367.537 2.841 20 0 FFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445479 514618235 /nfs/dbraw/zinc/61/82/35/514618235.db2.gz RWPZXBRQLYEFFN-BDTNDASRSA-N 1 3 367.537 2.841 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000461449872 514620795 /nfs/dbraw/zinc/62/07/95/514620795.db2.gz OWTAYOLODINMNV-SFTDATJTSA-N 1 3 355.526 2.699 20 0 FFADHO CC1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000461449872 514620804 /nfs/dbraw/zinc/62/08/04/514620804.db2.gz OWTAYOLODINMNV-SFTDATJTSA-N 1 3 355.526 2.699 20 0 FFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000466364664 514623860 /nfs/dbraw/zinc/62/38/60/514623860.db2.gz NWRYRODHWZFYST-BRKWEVRTSA-N 1 3 358.526 2.938 20 0 FFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466500158 514665671 /nfs/dbraw/zinc/66/56/71/514665671.db2.gz QKKSWTLTRYEBLK-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466500158 514665680 /nfs/dbraw/zinc/66/56/80/514665680.db2.gz QKKSWTLTRYEBLK-MISYRCLQSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000466550585 514685563 /nfs/dbraw/zinc/68/55/63/514685563.db2.gz FVTCHYCGYSYIQL-FKPGQJDZSA-N 1 3 370.541 2.821 20 0 FFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000466550585 514685578 /nfs/dbraw/zinc/68/55/78/514685578.db2.gz FVTCHYCGYSYIQL-FKPGQJDZSA-N 1 3 370.541 2.821 20 0 FFADHO CC[NH+](CC)CCOC1CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000466721396 514742144 /nfs/dbraw/zinc/74/21/44/514742144.db2.gz FBURMUCHWXHIEL-SFHVURJKSA-N 1 3 355.567 2.843 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000498105490 514762372 /nfs/dbraw/zinc/76/23/72/514762372.db2.gz BNUXABLONHOFDR-XUVXKRRUSA-N 1 3 358.530 2.805 20 0 FFADHO CN(C)C1(CNC(=O)NC(C)(C)CCC[NH+](C)C)Cc2ccccc2C1 ZINC000458416362 514778602 /nfs/dbraw/zinc/77/86/02/514778602.db2.gz FFZNNYVMTQRKGA-UHFFFAOYSA-N 1 3 360.546 2.505 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(C)(C)C(F)(F)F ZINC000479941079 514783913 /nfs/dbraw/zinc/78/39/13/514783913.db2.gz PQFYEPMDYDLSGP-AWEZNQCLSA-N 1 3 351.457 2.840 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(C)(C)C(F)(F)F ZINC000479941079 514783924 /nfs/dbraw/zinc/78/39/24/514783924.db2.gz PQFYEPMDYDLSGP-AWEZNQCLSA-N 1 3 351.457 2.840 20 0 FFADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000484903325 514837586 /nfs/dbraw/zinc/83/75/86/514837586.db2.gz FCPCHBGENVPNST-WDEREUQCSA-N 1 3 358.255 2.586 20 0 FFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000502921984 514843841 /nfs/dbraw/zinc/84/38/41/514843841.db2.gz XOYRPCFZIWRKLX-SFHVURJKSA-N 1 3 358.530 2.695 20 0 FFADHO CN1CCC[C@]2(CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC000458496319 514844818 /nfs/dbraw/zinc/84/48/18/514844818.db2.gz QBGPIZIGYWPNIZ-NRFANRHFSA-N 1 3 362.562 2.911 20 0 FFADHO C[C@@H](CNC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)[NH+](C)C ZINC000455946851 514856951 /nfs/dbraw/zinc/85/69/51/514856951.db2.gz QPCRXZQRUOWDSF-ZDUSSCGKSA-N 1 3 368.909 2.885 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484968823 514859636 /nfs/dbraw/zinc/85/96/36/514859636.db2.gz FTQZHFGIYYGBAY-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H](NC(=O)NCCN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484968823 514859647 /nfs/dbraw/zinc/85/96/47/514859647.db2.gz FTQZHFGIYYGBAY-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458580929 514921530 /nfs/dbraw/zinc/92/15/30/514921530.db2.gz ROWSFNSFQZSELT-AZUAARDMSA-N 1 3 350.551 2.624 20 0 FFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458580929 514921539 /nfs/dbraw/zinc/92/15/39/514921539.db2.gz ROWSFNSFQZSELT-AZUAARDMSA-N 1 3 350.551 2.624 20 0 FFADHO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508898425 514945380 /nfs/dbraw/zinc/94/53/80/514945380.db2.gz QBZDPBTUJWDVGO-DFQSSKMNSA-N 1 3 358.530 2.948 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458636998 514977304 /nfs/dbraw/zinc/97/73/04/514977304.db2.gz CIEQAOFXYCMEKE-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458636998 514977312 /nfs/dbraw/zinc/97/73/12/514977312.db2.gz CIEQAOFXYCMEKE-YZGWKJHDSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCCC1 ZINC000489825034 514989873 /nfs/dbraw/zinc/98/98/73/514989873.db2.gz DQDPZJSSGLRFCY-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCN1CCCCC1 ZINC000489825034 514989885 /nfs/dbraw/zinc/98/98/85/514989885.db2.gz DQDPZJSSGLRFCY-AZUAARDMSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000489846450 514998372 /nfs/dbraw/zinc/99/83/72/514998372.db2.gz NIDAEFWUEAVPQX-WSTZPKSXSA-N 1 3 358.530 2.633 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000489846450 514998387 /nfs/dbraw/zinc/99/83/87/514998387.db2.gz NIDAEFWUEAVPQX-WSTZPKSXSA-N 1 3 358.530 2.633 20 0 FFADHO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000498642008 515006953 /nfs/dbraw/zinc/00/69/53/515006953.db2.gz IEJJFEXQEAWTDH-SFHVURJKSA-N 1 3 360.546 2.677 20 0 FFADHO CC[NH+](CC)CCOCCNCc1cc(Br)cc2c1OCC2 ZINC000462525505 515104641 /nfs/dbraw/zinc/10/46/41/515104641.db2.gz KAFXATPNWRZDEH-UHFFFAOYSA-N 1 3 371.319 2.832 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000467862401 515149206 /nfs/dbraw/zinc/14/92/06/515149206.db2.gz HGIMQEKZQRYILI-HIFRSBDPSA-N 1 3 357.420 2.943 20 0 FFADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000509396613 515156215 /nfs/dbraw/zinc/15/62/15/515156215.db2.gz LDYONIJGVPVNLV-RHSMWYFYSA-N 1 3 357.420 2.507 20 0 FFADHO CSc1ccc([C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000458881516 515168202 /nfs/dbraw/zinc/16/82/02/515168202.db2.gz DOATVMXORMTGJE-INIZCTEOSA-N 1 3 352.548 2.651 20 0 FFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458888029 515173639 /nfs/dbraw/zinc/17/36/39/515173639.db2.gz IAYNXKUZAROPEH-SFHVURJKSA-N 1 3 366.575 2.994 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000481109869 515209687 /nfs/dbraw/zinc/20/96/87/515209687.db2.gz DLSMWPXDNDXBNI-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000481109869 515209700 /nfs/dbraw/zinc/20/97/00/515209700.db2.gz DLSMWPXDNDXBNI-PMACEKPBSA-N 1 3 358.530 2.825 20 0 FFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000472294386 515210676 /nfs/dbraw/zinc/21/06/76/515210676.db2.gz CKAZVAPSXKVYIE-SFTDATJTSA-N 1 3 370.541 2.778 20 0 FFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000472294386 515210684 /nfs/dbraw/zinc/21/06/84/515210684.db2.gz CKAZVAPSXKVYIE-SFTDATJTSA-N 1 3 370.541 2.778 20 0 FFADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000499126512 515211160 /nfs/dbraw/zinc/21/11/60/515211160.db2.gz WVMDVDKILWTUDN-GSEOLPGOSA-N 1 3 358.530 2.821 20 0 FFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000504181907 515240181 /nfs/dbraw/zinc/24/01/81/515240181.db2.gz NQFBIXHFTSRUIV-ROUUACIJSA-N 1 3 352.567 2.870 20 0 FFADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccco1 ZINC000509605502 515254050 /nfs/dbraw/zinc/25/40/50/515254050.db2.gz WPIZHDVJJRIMHV-XLAORIBOSA-N 1 3 362.518 2.977 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000476937722 515257528 /nfs/dbraw/zinc/25/75/28/515257528.db2.gz FBWHEFJUPOJMNB-PWRODBHTSA-N 1 3 370.541 2.823 20 0 FFADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000476937722 515257536 /nfs/dbraw/zinc/25/75/36/515257536.db2.gz FBWHEFJUPOJMNB-PWRODBHTSA-N 1 3 370.541 2.823 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccco1 ZINC000509615808 515259069 /nfs/dbraw/zinc/25/90/69/515259069.db2.gz VHNVQSJVEGJHDY-BBWFWOEESA-N 1 3 350.507 2.692 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccco1 ZINC000509615808 515259078 /nfs/dbraw/zinc/25/90/78/515259078.db2.gz VHNVQSJVEGJHDY-BBWFWOEESA-N 1 3 350.507 2.692 20 0 FFADHO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000463046615 515347852 /nfs/dbraw/zinc/34/78/52/515347852.db2.gz AKFOMRNNAAWSTJ-YJBOKZPZSA-N 1 3 356.470 2.876 20 0 FFADHO C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(OCCN3CCCC3)cc2)no1 ZINC000463046615 515347854 /nfs/dbraw/zinc/34/78/54/515347854.db2.gz AKFOMRNNAAWSTJ-YJBOKZPZSA-N 1 3 356.470 2.876 20 0 FFADHO CCc1ccc(OCC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000499511183 515352466 /nfs/dbraw/zinc/35/24/66/515352466.db2.gz ZEKZBHAQSRBHTC-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CCc1ccc(OCC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000499511183 515352474 /nfs/dbraw/zinc/35/24/74/515352474.db2.gz ZEKZBHAQSRBHTC-LJQANCHMSA-N 1 3 361.530 2.502 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1c(C)cccc1C ZINC000499512272 515352896 /nfs/dbraw/zinc/35/28/96/515352896.db2.gz FICRQHJWZOWZAE-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1c(C)cccc1C ZINC000499512272 515352906 /nfs/dbraw/zinc/35/29/06/515352906.db2.gz FICRQHJWZOWZAE-LJQANCHMSA-N 1 3 361.530 2.557 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000468467779 515373018 /nfs/dbraw/zinc/37/30/18/515373018.db2.gz BTWLUGDIJGVUGL-RBUKOAKNSA-N 1 3 372.557 2.821 20 0 FFADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000468467779 515373031 /nfs/dbraw/zinc/37/30/31/515373031.db2.gz BTWLUGDIJGVUGL-RBUKOAKNSA-N 1 3 372.557 2.821 20 0 FFADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC000504875095 515399257 /nfs/dbraw/zinc/39/92/57/515399257.db2.gz GNYWQOOYQDYGMY-LJQANCHMSA-N 1 3 358.530 2.825 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000477365812 515428285 /nfs/dbraw/zinc/42/82/85/515428285.db2.gz PGQXNAFXVOWQRK-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO C[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000477365812 515428292 /nfs/dbraw/zinc/42/82/92/515428292.db2.gz PGQXNAFXVOWQRK-SFHVURJKSA-N 1 3 358.530 2.777 20 0 FFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481703845 515430770 /nfs/dbraw/zinc/43/07/70/515430770.db2.gz LJDKWQHKGOIUQG-VQIMIIECSA-N 1 3 370.607 2.624 20 0 FFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481703845 515430779 /nfs/dbraw/zinc/43/07/79/515430779.db2.gz LJDKWQHKGOIUQG-VQIMIIECSA-N 1 3 370.607 2.624 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000459329548 515474219 /nfs/dbraw/zinc/47/42/19/515474219.db2.gz YXUJJVZUVIRJQZ-QAPCUYQASA-N 1 3 366.937 2.974 20 0 FFADHO CN(C)C[C@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000459329548 515474230 /nfs/dbraw/zinc/47/42/30/515474230.db2.gz YXUJJVZUVIRJQZ-QAPCUYQASA-N 1 3 366.937 2.974 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326106 515503409 /nfs/dbraw/zinc/50/34/09/515503409.db2.gz VFWBIVLXCKXNDH-YZGWKJHDSA-N 1 3 370.541 2.823 20 0 FFADHO C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C3CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000510326106 515503422 /nfs/dbraw/zinc/50/34/22/515503422.db2.gz VFWBIVLXCKXNDH-YZGWKJHDSA-N 1 3 370.541 2.823 20 0 FFADHO CC(C)[NH+](CCCNS(=O)(=O)c1ccc(CN(C)C)cc1)C(C)C ZINC000477556419 515504488 /nfs/dbraw/zinc/50/44/88/515504488.db2.gz HGJOMBYASBCXPT-UHFFFAOYSA-N 1 3 355.548 2.535 20 0 FFADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C2CC2)cc1 ZINC000459448363 515558808 /nfs/dbraw/zinc/55/88/08/515558808.db2.gz XQUGWBPKNQDPNA-QFIPXVFZSA-N 1 3 365.521 2.943 20 0 FFADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000510535092 515573353 /nfs/dbraw/zinc/57/33/53/515573353.db2.gz DHQKDCXGACAWDK-PKOBYXMFSA-N 1 3 350.551 2.693 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000454576112 515586432 /nfs/dbraw/zinc/58/64/32/515586432.db2.gz IMWCGYGDGBZCDY-PZJWPPBQSA-N 1 3 372.557 2.882 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000454576112 515586440 /nfs/dbraw/zinc/58/64/40/515586440.db2.gz IMWCGYGDGBZCDY-PZJWPPBQSA-N 1 3 372.557 2.882 20 0 FFADHO COc1ccc([C@H](NCC2(O)CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000493231915 515610899 /nfs/dbraw/zinc/61/08/99/515610899.db2.gz RSYNZOAPNLOBGB-HXUWFJFHSA-N 1 3 358.457 2.970 20 0 FFADHO CC(C)(C)N1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCCC2)[C@H](C(F)(F)F)C1 ZINC000457069294 515623672 /nfs/dbraw/zinc/62/36/72/515623672.db2.gz IARJIORILOGWNV-ZIAGYGMSSA-N 1 3 363.468 2.886 20 0 FFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000510657555 515626013 /nfs/dbraw/zinc/62/60/13/515626013.db2.gz KDRUOWUYSVLTBD-IBGZPJMESA-N 1 3 367.541 2.942 20 0 FFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000510657555 515626026 /nfs/dbraw/zinc/62/60/26/515626026.db2.gz KDRUOWUYSVLTBD-IBGZPJMESA-N 1 3 367.541 2.942 20 0 FFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000493811035 515665761 /nfs/dbraw/zinc/66/57/61/515665761.db2.gz BCNNTLCYIRQOJN-NJDAHSKKSA-N 1 3 370.541 2.531 20 0 FFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000510794122 515670941 /nfs/dbraw/zinc/67/09/41/515670941.db2.gz BMHUDYILWSWYBM-QGZVFWFLSA-N 1 3 359.514 2.787 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccco1 ZINC000493910602 515685172 /nfs/dbraw/zinc/68/51/72/515685172.db2.gz AQPMMURGCQOICD-RDJZCZTQSA-N 1 3 350.507 2.882 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccco1 ZINC000493910602 515685179 /nfs/dbraw/zinc/68/51/79/515685179.db2.gz AQPMMURGCQOICD-RDJZCZTQSA-N 1 3 350.507 2.882 20 0 FFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(OC(F)(F)F)c1 ZINC000482544100 515715184 /nfs/dbraw/zinc/71/51/84/515715184.db2.gz QUDTWGNMOLDTBZ-UKRRQHHQSA-N 1 3 373.419 2.823 20 0 FFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000500477961 515732918 /nfs/dbraw/zinc/73/29/18/515732918.db2.gz CZOPZRHDFVHSHD-ICSRJNTNSA-N 1 3 373.541 2.877 20 0 FFADHO CC[N@H+](CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)C(C)C ZINC000494157253 515750105 /nfs/dbraw/zinc/75/01/05/515750105.db2.gz REPYQWFXUVGDLW-UHFFFAOYSA-N 1 3 371.529 2.572 20 0 FFADHO CC[N@@H+](CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)C(C)C ZINC000494157253 515750111 /nfs/dbraw/zinc/75/01/11/515750111.db2.gz REPYQWFXUVGDLW-UHFFFAOYSA-N 1 3 371.529 2.572 20 0 FFADHO C[C@H]([NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCOCC1)c1ccccc1 ZINC000469490231 515839236 /nfs/dbraw/zinc/83/92/36/515839236.db2.gz PUJUARYZMHWWCU-QRVBRYPASA-N 1 3 373.541 2.875 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454973373 515868681 /nfs/dbraw/zinc/86/86/81/515868681.db2.gz MCXOSJRUJISMNO-MOPGFXCFSA-N 1 3 360.546 2.879 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454973373 515868692 /nfs/dbraw/zinc/86/86/92/515868692.db2.gz MCXOSJRUJISMNO-MOPGFXCFSA-N 1 3 360.546 2.879 20 0 FFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H](C)C1 ZINC000487516143 515886611 /nfs/dbraw/zinc/88/66/11/515886611.db2.gz FQAKDQMZXKNICJ-ZMSDIMECSA-N 1 3 350.551 2.667 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccco1 ZINC000494589090 515890976 /nfs/dbraw/zinc/89/09/76/515890976.db2.gz ZTKFZVZJNKLZIW-RDJZCZTQSA-N 1 3 350.507 2.740 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000487533542 515895516 /nfs/dbraw/zinc/89/55/16/515895516.db2.gz GUCVJMJAHYEQDX-PXNSSMCTSA-N 1 3 358.530 2.805 20 0 FFADHO C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000487533542 515895525 /nfs/dbraw/zinc/89/55/25/515895525.db2.gz GUCVJMJAHYEQDX-PXNSSMCTSA-N 1 3 358.530 2.805 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483086152 515916114 /nfs/dbraw/zinc/91/61/14/515916114.db2.gz HNGXVAASBZSCAZ-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000483086152 515916125 /nfs/dbraw/zinc/91/61/25/515916125.db2.gz HNGXVAASBZSCAZ-UXHICEINSA-N 1 3 358.530 2.681 20 0 FFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)c(C)c2)CC1 ZINC000506617742 515934378 /nfs/dbraw/zinc/93/43/78/515934378.db2.gz JZIAMZVDKXLMND-WMQCIHAUSA-N 1 3 370.541 2.996 20 0 FFADHO C[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)N(C)Cc1ccccc1 ZINC000474292285 515976467 /nfs/dbraw/zinc/97/64/67/515976467.db2.gz NRTHTAWCRBQFEC-QGZVFWFLSA-N 1 3 351.494 2.625 20 0 FFADHO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCN(CC2CCCCC2)CC1 ZINC000474310688 515987554 /nfs/dbraw/zinc/98/75/54/515987554.db2.gz QAQRYSMVNUQENO-UHFFFAOYSA-N 1 3 355.526 2.713 20 0 FFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)CC(C)C ZINC000457617863 516014117 /nfs/dbraw/zinc/01/41/17/516014117.db2.gz OBGLWWGMZYSOLX-AZUAARDMSA-N 1 3 352.567 2.870 20 0 FFADHO CCC[C@H](NC(C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000501220597 516021597 /nfs/dbraw/zinc/02/15/97/516021597.db2.gz ZFLPQZJGJCWGHO-SFHVURJKSA-N 1 3 361.534 2.717 20 0 FFADHO CC(C)(CNC(=O)N1CCC[C@@H]1CN1CCCCC1)C[NH+]1CCCC1 ZINC000479063512 516042066 /nfs/dbraw/zinc/04/20/66/516042066.db2.gz FXOVQVXHBPHLKK-GOSISDBHSA-N 1 3 350.551 2.768 20 0 FFADHO COCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[C@@H]1C ZINC000487949614 516046146 /nfs/dbraw/zinc/04/61/46/516046146.db2.gz GEYQKGNWGBIORN-DFQSSKMNSA-N 1 3 361.530 2.543 20 0 FFADHO COCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[C@@H]1C ZINC000487949614 516046160 /nfs/dbraw/zinc/04/61/60/516046160.db2.gz GEYQKGNWGBIORN-DFQSSKMNSA-N 1 3 361.530 2.543 20 0 FFADHO COCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[C@H]1C ZINC000487949616 516046946 /nfs/dbraw/zinc/04/69/46/516046946.db2.gz GEYQKGNWGBIORN-MISYRCLQSA-N 1 3 361.530 2.543 20 0 FFADHO COCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCC[C@H]1C ZINC000487949616 516046952 /nfs/dbraw/zinc/04/69/52/516046952.db2.gz GEYQKGNWGBIORN-MISYRCLQSA-N 1 3 361.530 2.543 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1N1CCCC1 ZINC000483390918 516061646 /nfs/dbraw/zinc/06/16/46/516061646.db2.gz HHMSUCHEWHAGKQ-YTQUADARSA-N 1 3 365.587 2.679 20 0 FFADHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1N1CCCC1 ZINC000483390918 516061655 /nfs/dbraw/zinc/06/16/55/516061655.db2.gz HHMSUCHEWHAGKQ-YTQUADARSA-N 1 3 365.587 2.679 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000511893623 516069846 /nfs/dbraw/zinc/06/98/46/516069846.db2.gz CYWLCKRPJAJOKT-PWRODBHTSA-N 1 3 355.526 2.855 20 0 FFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000511893620 516069898 /nfs/dbraw/zinc/06/98/98/516069898.db2.gz CYWLCKRPJAJOKT-NJYVYQBISA-N 1 3 355.526 2.855 20 0 FFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000511907566 516076206 /nfs/dbraw/zinc/07/62/06/516076206.db2.gz SVZGBWLDVDJXJG-IHPCNDPISA-N 1 3 358.530 2.823 20 0 FFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000511907566 516076211 /nfs/dbraw/zinc/07/62/11/516076211.db2.gz SVZGBWLDVDJXJG-IHPCNDPISA-N 1 3 358.530 2.823 20 0 FFADHO CC(C)(CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000479189467 516097844 /nfs/dbraw/zinc/09/78/44/516097844.db2.gz QMTCATCOWZNSME-FQEVSTJZSA-N 1 3 369.484 2.821 20 0 FFADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC[C@@H](C)C1 ZINC000501506768 516130862 /nfs/dbraw/zinc/13/08/62/516130862.db2.gz UKXQFBQWAFYTDG-QZTJIDSGSA-N 1 3 350.551 2.767 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000457789881 516147553 /nfs/dbraw/zinc/14/75/53/516147553.db2.gz QANSZXGZDWIWTG-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000457789881 516147558 /nfs/dbraw/zinc/14/75/58/516147558.db2.gz QANSZXGZDWIWTG-HLAWJBBLSA-N 1 3 370.541 2.777 20 0 FFADHO CN(C)C1(CNC(=O)NCC2([NH+](C)C)CCCCC2)Cc2ccccc2C1 ZINC000465461241 516160896 /nfs/dbraw/zinc/16/08/96/516160896.db2.gz ZDNKRRCQJZPGAL-UHFFFAOYSA-N 1 3 372.557 2.649 20 0 FFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000457808063 516162983 /nfs/dbraw/zinc/16/29/83/516162983.db2.gz WTMQJKJIVLPTIN-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000457808063 516162994 /nfs/dbraw/zinc/16/29/94/516162994.db2.gz WTMQJKJIVLPTIN-IFMALSPDSA-N 1 3 370.541 2.778 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC)N1CCc2ccccc2C1 ZINC000465524210 516178577 /nfs/dbraw/zinc/17/85/77/516178577.db2.gz JDHXWIGWQJBPNA-PMACEKPBSA-N 1 3 358.530 2.607 20 0 FFADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)N1CCc2ccccc2C1 ZINC000465524210 516178584 /nfs/dbraw/zinc/17/85/84/516178584.db2.gz JDHXWIGWQJBPNA-PMACEKPBSA-N 1 3 358.530 2.607 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000460527942 516179658 /nfs/dbraw/zinc/17/96/58/516179658.db2.gz OYAQSZJMEJYJPK-GFOJFJKKSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000460527942 516179666 /nfs/dbraw/zinc/17/96/66/516179666.db2.gz OYAQSZJMEJYJPK-GFOJFJKKSA-N 1 3 370.541 2.633 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000465535037 516182897 /nfs/dbraw/zinc/18/28/97/516182897.db2.gz VRNFOAKTSVEKKL-QZTJIDSGSA-N 1 3 372.557 2.505 20 0 FFADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000465535037 516182903 /nfs/dbraw/zinc/18/29/03/516182903.db2.gz VRNFOAKTSVEKKL-QZTJIDSGSA-N 1 3 372.557 2.505 20 0 FFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000507377666 516191612 /nfs/dbraw/zinc/19/16/12/516191612.db2.gz INJPZDFNJJDURO-HXUWFJFHSA-N 1 3 372.557 2.725 20 0 FFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000507377666 516191620 /nfs/dbraw/zinc/19/16/20/516191620.db2.gz INJPZDFNJJDURO-HXUWFJFHSA-N 1 3 372.557 2.725 20 0 FFADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000483729961 516191850 /nfs/dbraw/zinc/19/18/50/516191850.db2.gz QOUSEEIYJRKMHP-SIKLNZKXSA-N 1 3 373.585 2.812 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501783558 516222560 /nfs/dbraw/zinc/22/25/60/516222560.db2.gz DFPFBPDUEVAIGM-AZUAARDMSA-N 1 3 358.530 2.997 20 0 FFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)c1 ZINC000488448072 516226573 /nfs/dbraw/zinc/22/65/73/516226573.db2.gz YQALGAVRHFZEFM-ROUUACIJSA-N 1 3 363.571 2.988 20 0 FFADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311130 516234755 /nfs/dbraw/zinc/23/47/55/516234755.db2.gz WDLKAVOCXLZWDY-NVXWUHKLSA-N 1 3 353.457 2.600 20 0 FFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000501826419 516237044 /nfs/dbraw/zinc/23/70/44/516237044.db2.gz HFGNAFVJAMDEHR-KRWDZBQOSA-N 1 3 368.591 2.522 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000465719186 516239669 /nfs/dbraw/zinc/23/96/69/516239669.db2.gz ILQFIYYJFHQDMK-YLJYHZDGSA-N 1 3 358.530 2.681 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465732969 516243556 /nfs/dbraw/zinc/24/35/56/516243556.db2.gz XGNOYGXXAGWBTE-NHCUHLMSSA-N 1 3 372.557 2.723 20 0 FFADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465732969 516243561 /nfs/dbraw/zinc/24/35/61/516243561.db2.gz XGNOYGXXAGWBTE-NHCUHLMSSA-N 1 3 372.557 2.723 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)N2CCCC2)cc1 ZINC000488519256 516247239 /nfs/dbraw/zinc/24/72/39/516247239.db2.gz UPKDIKOMRBKYMC-UNMCSNQZSA-N 1 3 370.541 2.869 20 0 FFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)N2CCCC2)cc1 ZINC000488519256 516247251 /nfs/dbraw/zinc/24/72/51/516247251.db2.gz UPKDIKOMRBKYMC-UNMCSNQZSA-N 1 3 370.541 2.869 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)cc1 ZINC000488514342 516248096 /nfs/dbraw/zinc/24/80/96/516248096.db2.gz IVQDAWXOJDKAIG-ROUUACIJSA-N 1 3 363.571 2.988 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)cc1F ZINC000465776736 516256148 /nfs/dbraw/zinc/25/61/48/516256148.db2.gz BMWZLKTYQUURBJ-KRWDZBQOSA-N 1 3 368.472 2.522 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)cc1F ZINC000465776736 516256156 /nfs/dbraw/zinc/25/61/56/516256156.db2.gz BMWZLKTYQUURBJ-KRWDZBQOSA-N 1 3 368.472 2.522 20 0 FFADHO CC1CCC(O)(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000512474896 516290178 /nfs/dbraw/zinc/29/01/78/516290178.db2.gz ODBFDYGEYVUNTB-GTMAMOSYSA-N 1 3 371.569 2.820 20 0 FFADHO CC1CCC(O)(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000512474896 516290184 /nfs/dbraw/zinc/29/01/84/516290184.db2.gz ODBFDYGEYVUNTB-GTMAMOSYSA-N 1 3 371.569 2.820 20 0 FFADHO CSC1(CNC(=O)c2cccc(CN3CCCC3)c2)CC[NH+](C)CC1 ZINC000460967566 516292872 /nfs/dbraw/zinc/29/28/72/516292872.db2.gz FRCMCMONKLRZAV-UHFFFAOYSA-N 1 3 361.555 2.840 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557634480 516348904 /nfs/dbraw/zinc/34/89/04/516348904.db2.gz GCMCJHJOTJWHSA-FQEVSTJZSA-N 1 3 373.541 2.514 20 0 FFADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557634480 516348909 /nfs/dbraw/zinc/34/89/09/516348909.db2.gz GCMCJHJOTJWHSA-FQEVSTJZSA-N 1 3 373.541 2.514 20 0 FFADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000561045505 516350209 /nfs/dbraw/zinc/35/02/09/516350209.db2.gz NLEJQAOGSKIGIX-FQEVSTJZSA-N 1 3 368.481 2.765 20 0 FFADHO C[C@]1(CNC(=O)Nc2ncccc2CN)CCC[N@@H+]1Cc1ccccc1 ZINC000561056152 516354014 /nfs/dbraw/zinc/35/40/14/516354014.db2.gz BEAUCJOKVMUHLE-HXUWFJFHSA-N 1 3 353.470 2.717 20 0 FFADHO C[C@]1(CNC(=O)Nc2ncccc2CN)CCC[N@H+]1Cc1ccccc1 ZINC000561056152 516354018 /nfs/dbraw/zinc/35/40/18/516354018.db2.gz BEAUCJOKVMUHLE-HXUWFJFHSA-N 1 3 353.470 2.717 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4sccc4C3)CC2)CC1 ZINC000561104113 516380723 /nfs/dbraw/zinc/38/07/23/516380723.db2.gz WONSRRUMWUZKMS-UHFFFAOYSA-N 1 3 361.555 2.829 20 0 FFADHO CC[C@@H](C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)N(CC)CC ZINC000531292819 516391060 /nfs/dbraw/zinc/39/10/60/516391060.db2.gz TVKXEXFEVFTEFN-SFHVURJKSA-N 1 3 353.551 2.647 20 0 FFADHO CCN(C)CCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000523130689 516394035 /nfs/dbraw/zinc/39/40/35/516394035.db2.gz MNVZRWLOZVTCGH-ROUUACIJSA-N 1 3 360.546 2.915 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(Cl)cc1Cl ZINC000531357228 516425830 /nfs/dbraw/zinc/42/58/30/516425830.db2.gz CBNSUQOVNVQBSC-UHFFFAOYSA-N 1 3 360.329 2.878 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000561186572 516436682 /nfs/dbraw/zinc/43/66/82/516436682.db2.gz WKGINCSNHAMXBS-SOAMZJECSA-N 1 3 358.530 2.571 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000557854908 516472923 /nfs/dbraw/zinc/47/29/23/516472923.db2.gz JJADPZSQXYUQHI-MSOLQXFVSA-N 1 3 364.534 2.863 20 0 FFADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1CCC[C@@H](C)C1 ZINC000557854908 516472932 /nfs/dbraw/zinc/47/29/32/516472932.db2.gz JJADPZSQXYUQHI-MSOLQXFVSA-N 1 3 364.534 2.863 20 0 FFADHO Cc1cc(NC(=O)CCNCc2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000554545906 516499398 /nfs/dbraw/zinc/49/93/98/516499398.db2.gz AEFIRPXOVHEGST-UHFFFAOYSA-N 1 3 370.497 2.755 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1sccc1C ZINC000540300840 516505797 /nfs/dbraw/zinc/50/57/97/516505797.db2.gz GVWGZKBEGGKTTD-KRWDZBQOSA-N 1 3 366.575 2.657 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1sccc1C ZINC000540300840 516505808 /nfs/dbraw/zinc/50/58/08/516505808.db2.gz GVWGZKBEGGKTTD-KRWDZBQOSA-N 1 3 366.575 2.657 20 0 FFADHO C[C@H](CNC(=O)N1CCN(C2CCC(C)CC2)CC1)C[NH+]1CCCC1 ZINC000523790566 516579957 /nfs/dbraw/zinc/57/99/57/516579957.db2.gz PZWTUESWACSERN-JLAWEPINSA-N 1 3 350.551 2.624 20 0 FFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000523876568 516601594 /nfs/dbraw/zinc/60/15/94/516601594.db2.gz LYIITBIDCGQGFO-IAGOWNOFSA-N 1 3 366.575 2.990 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC[N@@H+]1C ZINC000513443727 516624055 /nfs/dbraw/zinc/62/40/55/516624055.db2.gz OQXAEUSFSAPULK-NXHRZFHOSA-N 1 3 365.468 2.743 20 0 FFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC[N@H+]1C ZINC000513443727 516624063 /nfs/dbraw/zinc/62/40/63/516624063.db2.gz OQXAEUSFSAPULK-NXHRZFHOSA-N 1 3 365.468 2.743 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](SC)C(C)(C)C ZINC000544293643 516683543 /nfs/dbraw/zinc/68/35/43/516683543.db2.gz UJTKMSGVWCACFA-SJORKVTESA-N 1 3 372.623 2.822 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](SC)C(C)(C)C ZINC000544293643 516683556 /nfs/dbraw/zinc/68/35/56/516683556.db2.gz UJTKMSGVWCACFA-SJORKVTESA-N 1 3 372.623 2.822 20 0 FFADHO CN1CCO[C@H](CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000513684440 516719954 /nfs/dbraw/zinc/71/99/54/516719954.db2.gz RKJBMYSFZOFFIL-DXBBTUNJSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCO[C@H](CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000513684440 516719963 /nfs/dbraw/zinc/71/99/63/516719963.db2.gz RKJBMYSFZOFFIL-DXBBTUNJSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000513684440 516719972 /nfs/dbraw/zinc/71/99/72/516719972.db2.gz RKJBMYSFZOFFIL-DXBBTUNJSA-N 1 3 357.542 2.597 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000544488528 516780621 /nfs/dbraw/zinc/78/06/21/516780621.db2.gz JELDWAFHSGLIQK-UHFFFAOYSA-N 1 3 357.542 2.514 20 0 FFADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCC[NH+]1CCCCCC1 ZINC000518885370 516806376 /nfs/dbraw/zinc/80/63/76/516806376.db2.gz JTNSEUSGYGVWNQ-UHFFFAOYSA-N 1 3 372.557 2.581 20 0 FFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@H]1C ZINC000524880384 516856439 /nfs/dbraw/zinc/85/64/39/516856439.db2.gz VGLROFGDSWAWGB-HOJAQTOUSA-N 1 3 358.530 2.625 20 0 FFADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@H]1C ZINC000524880384 516856447 /nfs/dbraw/zinc/85/64/47/516856447.db2.gz VGLROFGDSWAWGB-HOJAQTOUSA-N 1 3 358.530 2.625 20 0 FFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000514202378 516902303 /nfs/dbraw/zinc/90/23/03/516902303.db2.gz WKVXGKAPECYOOB-RCLSDMTESA-N 1 3 374.573 2.825 20 0 FFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000514202378 516902314 /nfs/dbraw/zinc/90/23/14/516902314.db2.gz WKVXGKAPECYOOB-RCLSDMTESA-N 1 3 374.573 2.825 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000519178264 516914494 /nfs/dbraw/zinc/91/44/94/516914494.db2.gz FHLWQLLRDQHEES-SFTDATJTSA-N 1 3 373.516 2.994 20 0 FFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000536857210 516957751 /nfs/dbraw/zinc/95/77/51/516957751.db2.gz JNDWOTLIMYEEPU-UHFFFAOYSA-N 1 3 373.541 2.807 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000558887716 516987637 /nfs/dbraw/zinc/98/76/37/516987637.db2.gz DEZAWWLAHCVVCO-COXVUDFISA-N 1 3 352.910 2.725 20 0 FFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000558887716 516987646 /nfs/dbraw/zinc/98/76/46/516987646.db2.gz DEZAWWLAHCVVCO-COXVUDFISA-N 1 3 352.910 2.725 20 0 FFADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000536947163 516990400 /nfs/dbraw/zinc/99/04/00/516990400.db2.gz LWERQBXJPHHVFE-HOTGVXAUSA-N 1 3 353.532 2.639 20 0 FFADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000536947163 516990409 /nfs/dbraw/zinc/99/04/09/516990409.db2.gz LWERQBXJPHHVFE-HOTGVXAUSA-N 1 3 353.532 2.639 20 0 FFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC[NH+]1CCCC1 ZINC000519502484 517015662 /nfs/dbraw/zinc/01/56/62/517015662.db2.gz WMQMMJUKCFXJAN-UHFFFAOYSA-N 1 3 368.472 2.524 20 0 FFADHO COCCN(C)CC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000559013104 517040863 /nfs/dbraw/zinc/04/08/63/517040863.db2.gz FPCZTMZDMAWZHM-NRFANRHFSA-N 1 3 373.541 2.687 20 0 FFADHO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)N1CCCCC1 ZINC000532595093 517053785 /nfs/dbraw/zinc/05/37/85/517053785.db2.gz LPFGRHJMGDPCML-QUCCMNQESA-N 1 3 373.545 2.671 20 0 FFADHO O=C(CCNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1cccc(Cl)c1 ZINC000514788852 517057938 /nfs/dbraw/zinc/05/79/38/517057938.db2.gz OIECMRLKEVJWTM-ZWKOTPCHSA-N 1 3 365.905 2.636 20 0 FFADHO CN1CCC[C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000514849342 517089448 /nfs/dbraw/zinc/08/94/48/517089448.db2.gz NEPJHAGJCDMVLT-NVXWUHKLSA-N 1 3 364.559 2.820 20 0 FFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529358502 517100542 /nfs/dbraw/zinc/10/05/42/517100542.db2.gz TYYIAGWSZWVEFY-LJQANCHMSA-N 1 3 371.529 2.614 20 0 FFADHO C[C@H]1CN(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCN1 ZINC000529388622 517118770 /nfs/dbraw/zinc/11/87/70/517118770.db2.gz SENMBQWDUBQGMY-NHYWBVRUSA-N 1 3 359.301 2.599 20 0 FFADHO CC1CCN([C@@H](CNC(=O)N(C)C2CC([NH3+])C2)c2cccs2)CC1 ZINC000519693293 517130179 /nfs/dbraw/zinc/13/01/79/517130179.db2.gz GJMQLDBGNRLPQY-GPANFISMSA-N 1 3 350.532 2.652 20 0 FFADHO CSc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000545256998 517133217 /nfs/dbraw/zinc/13/32/17/517133217.db2.gz GRNQDQXHKXFVJR-OAHLLOKOSA-N 1 3 352.548 2.604 20 0 FFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000555899986 517174879 /nfs/dbraw/zinc/17/48/79/517174879.db2.gz XNVQVEJNUUKQEX-SAABIXHNSA-N 1 3 366.937 2.721 20 0 FFADHO CN1CCN(CC2(C)CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)CC1 ZINC000541759027 517201287 /nfs/dbraw/zinc/20/12/87/517201287.db2.gz BVCOUKKETCVWCM-UHFFFAOYSA-N 1 3 367.541 2.722 20 0 FFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000515084493 517206170 /nfs/dbraw/zinc/20/61/70/517206170.db2.gz JAJHONHAICZTFT-RBUKOAKNSA-N 1 3 361.505 2.838 20 0 FFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000515084493 517206181 /nfs/dbraw/zinc/20/61/81/517206181.db2.gz JAJHONHAICZTFT-RBUKOAKNSA-N 1 3 361.505 2.838 20 0 FFADHO CC[C@@H](C)n1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C1CC1 ZINC000525890795 517221152 /nfs/dbraw/zinc/22/11/52/517221152.db2.gz SHJMCHILNMAAGT-OAHLLOKOSA-N 1 3 364.538 2.689 20 0 FFADHO Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)nc1 ZINC000515165802 517235711 /nfs/dbraw/zinc/23/57/11/517235711.db2.gz IGWPSNYFKGKMIY-FQEVSTJZSA-N 1 3 366.509 2.873 20 0 FFADHO Cc1ccc(NC(=O)CCNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000515165802 517235721 /nfs/dbraw/zinc/23/57/21/517235721.db2.gz IGWPSNYFKGKMIY-FQEVSTJZSA-N 1 3 366.509 2.873 20 0 FFADHO Cc1ccc(NC(=O)CCNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1 ZINC000515165802 517235731 /nfs/dbraw/zinc/23/57/31/517235731.db2.gz IGWPSNYFKGKMIY-FQEVSTJZSA-N 1 3 366.509 2.873 20 0 FFADHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1c1ccccc1 ZINC000556118267 517274905 /nfs/dbraw/zinc/27/49/05/517274905.db2.gz AMNNARMVQXNRTC-CBPXPLCBSA-N 1 3 357.542 2.789 20 0 FFADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000520204490 517299188 /nfs/dbraw/zinc/29/91/88/517299188.db2.gz SMBLGTYEIXVZIW-INIZCTEOSA-N 1 3 352.548 2.647 20 0 FFADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529720532 517311551 /nfs/dbraw/zinc/31/15/51/517311551.db2.gz SCBGPYJFUAUSKW-GOSISDBHSA-N 1 3 359.514 2.764 20 0 FFADHO CC(C)Cn1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C(C)C ZINC000526170024 517367252 /nfs/dbraw/zinc/36/72/52/517367252.db2.gz YXCLFRZLSFGDFN-UHFFFAOYSA-N 1 3 366.554 2.620 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520377829 517369857 /nfs/dbraw/zinc/36/98/57/517369857.db2.gz QVLGCLDBWABEKK-GUDVDZBRSA-N 1 3 360.546 2.927 20 0 FFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000520377829 517369867 /nfs/dbraw/zinc/36/98/67/517369867.db2.gz QVLGCLDBWABEKK-GUDVDZBRSA-N 1 3 360.546 2.927 20 0 FFADHO CC1CCC(N2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)CC2)CC1 ZINC000562769958 517380576 /nfs/dbraw/zinc/38/05/76/517380576.db2.gz RRTAZWJQGMAARC-URSIVYNOSA-N 1 3 371.529 2.626 20 0 FFADHO Cc1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)n(C2CCN(C)CC2)n1 ZINC000520482239 517407136 /nfs/dbraw/zinc/40/71/36/517407136.db2.gz APZDQESSRARSIR-UHFFFAOYSA-N 1 3 361.534 2.909 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000562795241 517408557 /nfs/dbraw/zinc/40/85/57/517408557.db2.gz GWOZNYUOYMIPAX-YYIAUSFCSA-N 1 3 362.543 2.572 20 0 FFADHO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545912458 517428540 /nfs/dbraw/zinc/42/85/40/517428540.db2.gz IAGPWHBHRSVWFY-XLIONFOSSA-N 1 3 360.546 2.835 20 0 FFADHO CC1CC[NH+](CCCCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000515828888 517487938 /nfs/dbraw/zinc/48/79/38/517487938.db2.gz DYDWABHLORHKLW-OAQYLSRUSA-N 1 3 374.573 2.971 20 0 FFADHO Cc1cc(C(F)(F)F)ccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527211298 517564419 /nfs/dbraw/zinc/56/44/19/517564419.db2.gz XHESQPKVIKQMMM-UHFFFAOYSA-N 1 3 374.451 2.649 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N(C)C1CC1 ZINC000520987636 517571089 /nfs/dbraw/zinc/57/10/89/517571089.db2.gz CIOOTFGHDFYHIQ-VQIMIIECSA-N 1 3 350.551 2.813 20 0 FFADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)N(C)C1CC1 ZINC000520987636 517571094 /nfs/dbraw/zinc/57/10/94/517571094.db2.gz CIOOTFGHDFYHIQ-VQIMIIECSA-N 1 3 350.551 2.813 20 0 FFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243778 517651364 /nfs/dbraw/zinc/65/13/64/517651364.db2.gz YRUHDZQYKJJNOC-NHCUHLMSSA-N 1 3 373.541 2.687 20 0 FFADHO COc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000530248275 517653495 /nfs/dbraw/zinc/65/34/95/517653495.db2.gz IACOORYJYNDTIC-INIZCTEOSA-N 1 3 370.440 2.887 20 0 FFADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000527503094 517713724 /nfs/dbraw/zinc/71/37/24/517713724.db2.gz NOGBMJKNEKBXHD-UHFFFAOYSA-N 1 3 360.546 2.807 20 0 FFADHO CC1=CCN(CCNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000546565080 517729038 /nfs/dbraw/zinc/72/90/38/517729038.db2.gz LUZDJUUBTPNYHD-FQEVSTJZSA-N 1 3 356.514 2.602 20 0 FFADHO CC1=CCN(CCNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000546565080 517729048 /nfs/dbraw/zinc/72/90/48/517729048.db2.gz LUZDJUUBTPNYHD-FQEVSTJZSA-N 1 3 356.514 2.602 20 0 FFADHO Cc1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)c(OCCN(C)C)c1 ZINC000542785357 517740259 /nfs/dbraw/zinc/74/02/59/517740259.db2.gz PBQOJAPMYYWPLM-UHFFFAOYSA-N 1 3 356.470 2.795 20 0 FFADHO CCc1ccc([C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)N(C)C)cc1 ZINC000542787099 517741760 /nfs/dbraw/zinc/74/17/60/517741760.db2.gz URRPKGCFINKSOC-HXUWFJFHSA-N 1 3 354.498 2.889 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC(C)(C)C3)CC2)CC1 ZINC000553499033 517746938 /nfs/dbraw/zinc/74/69/38/517746938.db2.gz XZLUXKLKJNNJOL-UHFFFAOYSA-N 1 3 353.576 2.537 20 0 FFADHO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000527708842 517861637 /nfs/dbraw/zinc/86/16/37/517861637.db2.gz BPMNHQPVXRFPOH-TZIWHRDSSA-N 1 3 357.542 2.991 20 0 FFADHO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000527708842 517861644 /nfs/dbraw/zinc/86/16/44/517861644.db2.gz BPMNHQPVXRFPOH-TZIWHRDSSA-N 1 3 357.542 2.991 20 0 FFADHO CN(C)CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000563374760 517861825 /nfs/dbraw/zinc/86/18/25/517861825.db2.gz SACLAWXCFXEQEC-LJQANCHMSA-N 1 3 361.555 2.799 20 0 FFADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(Br)s2)CCC1)C1CC1 ZINC000521864882 517878753 /nfs/dbraw/zinc/87/87/53/517878753.db2.gz ISYSPGJVPKGHIT-ZDUSSCGKSA-N 1 3 373.360 2.977 20 0 FFADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(Br)s2)CCC1)C1CC1 ZINC000521864882 517878760 /nfs/dbraw/zinc/87/87/60/517878760.db2.gz ISYSPGJVPKGHIT-ZDUSSCGKSA-N 1 3 373.360 2.977 20 0 FFADHO C[C@@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[C@@H]1C[NH3+] ZINC000557231749 517928727 /nfs/dbraw/zinc/92/87/27/517928727.db2.gz AHQONCSXTMFPCE-MJGOQNOKSA-N 1 3 358.530 2.667 20 0 FFADHO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n(C2CCN(C)CC2)n1 ZINC000530711599 517935868 /nfs/dbraw/zinc/93/58/68/517935868.db2.gz QDYDQPQLGPPGMO-SFHVURJKSA-N 1 3 374.533 2.550 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)[C@@H]1c1ccccc1 ZINC000527830855 517941299 /nfs/dbraw/zinc/94/12/99/517941299.db2.gz GALZFSCBEVMICY-AABGKKOBSA-N 1 3 356.514 2.748 20 0 FFADHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)[C@@H]1c1ccccc1 ZINC000527830855 517941307 /nfs/dbraw/zinc/94/13/07/517941307.db2.gz GALZFSCBEVMICY-AABGKKOBSA-N 1 3 356.514 2.748 20 0 FFADHO CS[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000543182872 517951227 /nfs/dbraw/zinc/95/12/27/517951227.db2.gz CTMVGYODQSXPEK-KRWDZBQOSA-N 1 3 370.607 2.622 20 0 FFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527860896 517958109 /nfs/dbraw/zinc/95/81/09/517958109.db2.gz YYWIKXZWZSCDFH-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527860896 517958118 /nfs/dbraw/zinc/95/81/18/517958118.db2.gz YYWIKXZWZSCDFH-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@H](NCCCN1CCC[N@H+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527860896 517958128 /nfs/dbraw/zinc/95/81/28/517958128.db2.gz YYWIKXZWZSCDFH-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO C[C@H](NCCCN1CCC[N@@H+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527860896 517958139 /nfs/dbraw/zinc/95/81/39/517958139.db2.gz YYWIKXZWZSCDFH-SFHVURJKSA-N 1 3 355.530 2.765 20 0 FFADHO CC[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000563544418 517973814 /nfs/dbraw/zinc/97/38/14/517973814.db2.gz MVEMTCDBTHUALE-TZIWHRDSSA-N 1 3 358.530 2.512 20 0 FFADHO C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N(C)Cc1ccccc1 ZINC000522075490 517978004 /nfs/dbraw/zinc/97/80/04/517978004.db2.gz LHANAUNHNXTNID-MOPGFXCFSA-N 1 3 360.546 2.927 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000522145533 518003853 /nfs/dbraw/zinc/00/38/53/518003853.db2.gz FIWJSLKOZIXCOZ-HNNXBMFYSA-N 1 3 357.420 2.547 20 0 FFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000522145533 518003859 /nfs/dbraw/zinc/00/38/59/518003859.db2.gz FIWJSLKOZIXCOZ-HNNXBMFYSA-N 1 3 357.420 2.547 20 0 FFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000522276795 518060522 /nfs/dbraw/zinc/06/05/22/518060522.db2.gz QKVIMACNMFNPBU-LEWJYISDSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H](C[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O)CN1CCCCC1 ZINC000547367777 518106495 /nfs/dbraw/zinc/10/64/95/518106495.db2.gz KLLCHVOJCNHKDD-IAGOWNOFSA-N 1 3 357.498 2.773 20 0 FFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528148987 518119049 /nfs/dbraw/zinc/11/90/49/518119049.db2.gz JUYJJKMROZMYSY-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000528148987 518119056 /nfs/dbraw/zinc/11/90/56/518119056.db2.gz JUYJJKMROZMYSY-IEBWSBKVSA-N 1 3 350.551 2.767 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000517407009 518140267 /nfs/dbraw/zinc/14/02/67/518140267.db2.gz NNXQGTOQZLRTHL-OAQYLSRUSA-N 1 3 370.541 2.921 20 0 FFADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000517407007 518140720 /nfs/dbraw/zinc/14/07/20/518140720.db2.gz NNXQGTOQZLRTHL-NRFANRHFSA-N 1 3 370.541 2.921 20 0 FFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000517417932 518144011 /nfs/dbraw/zinc/14/40/11/518144011.db2.gz FTHJBFYFADMYJC-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000517417932 518144017 /nfs/dbraw/zinc/14/40/17/518144017.db2.gz FTHJBFYFADMYJC-OALUTQOASA-N 1 3 350.551 2.911 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000531161068 518157301 /nfs/dbraw/zinc/15/73/01/518157301.db2.gz WFNLCQCPYGUWRZ-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000531161068 518157305 /nfs/dbraw/zinc/15/73/05/518157305.db2.gz WFNLCQCPYGUWRZ-MISYRCLQSA-N 1 3 358.530 2.538 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000522829913 518167711 /nfs/dbraw/zinc/16/77/11/518167711.db2.gz TYRNHUGVALJTEM-LEWJYISDSA-N 1 3 370.541 2.574 20 0 FFADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000522829913 518167713 /nfs/dbraw/zinc/16/77/13/518167713.db2.gz TYRNHUGVALJTEM-LEWJYISDSA-N 1 3 370.541 2.574 20 0 FFADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000522833436 518168353 /nfs/dbraw/zinc/16/83/53/518168353.db2.gz FKNCNEMTUKGUFP-OAQYLSRUSA-N 1 3 366.509 2.672 20 0 FFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(OC)c(OC)cc2C)C1 ZINC000539849950 518172008 /nfs/dbraw/zinc/17/20/08/518172008.db2.gz IDINPWRSQBUAAK-SFHVURJKSA-N 1 3 350.503 2.945 20 0 FFADHO CC[NH+]1CCC(CNCc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000563866658 518207976 /nfs/dbraw/zinc/20/79/76/518207976.db2.gz BVUUGXDJUWBONI-UHFFFAOYSA-N 1 3 359.514 2.509 20 0 FFADHO CC(=O)c1cccc(C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000563898291 518220310 /nfs/dbraw/zinc/22/03/10/518220310.db2.gz HDZBIJPTXCTWEK-UHFFFAOYSA-N 1 3 365.477 2.613 20 0 FFADHO CC[C@H](C)N[C@@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)c1ccco1 ZINC000581330332 518232929 /nfs/dbraw/zinc/23/29/29/518232929.db2.gz XZLYAHLAVJBQIN-IEZWGBDMSA-N 1 3 365.518 2.618 20 0 FFADHO C[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CCC(Cc2ccccc2)CC1 ZINC000572527779 518233622 /nfs/dbraw/zinc/23/36/22/518233622.db2.gz LNZMCWPMIGMLOZ-WMZHIEFXSA-N 1 3 369.553 2.932 20 0 FFADHO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cccc(CN4CCCC4)c3)cc2C1 ZINC000566858770 518236654 /nfs/dbraw/zinc/23/66/54/518236654.db2.gz ULQQZCXZBZXOCR-GOSISDBHSA-N 1 3 350.466 2.746 20 0 FFADHO O=C(CC[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)Nc1cccc(F)c1 ZINC000578499715 518239623 /nfs/dbraw/zinc/23/96/23/518239623.db2.gz XKOJVNMRNRBXGS-RBUKOAKNSA-N 1 3 363.477 2.512 20 0 FFADHO [NH3+]CC[C@H]1CCCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000566962977 518286274 /nfs/dbraw/zinc/28/62/74/518286274.db2.gz JHUGJYMRDKOWOI-GOSISDBHSA-N 1 3 358.530 2.943 20 0 FFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000564074399 518294796 /nfs/dbraw/zinc/29/47/96/518294796.db2.gz BWOJYALLCBLJRM-RBUKOAKNSA-N 1 3 360.546 2.928 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000564085143 518301105 /nfs/dbraw/zinc/30/11/05/518301105.db2.gz GSHJAGFRXUNFBH-BVSLBCMMSA-N 1 3 372.484 2.738 20 0 FFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000564085143 518301109 /nfs/dbraw/zinc/30/11/09/518301109.db2.gz GSHJAGFRXUNFBH-BVSLBCMMSA-N 1 3 372.484 2.738 20 0 FFADHO C[C@H](C(=O)Nc1cc(Cl)ccc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000581512094 518322895 /nfs/dbraw/zinc/32/28/95/518322895.db2.gz NWTMPLMGOJBJIE-CQSZACIVSA-N 1 3 372.916 2.621 20 0 FFADHO CN1CC[NH+](CC2(C)CCN(Cc3cccc4c3OCCCO4)CC2)CC1 ZINC000567086310 518343535 /nfs/dbraw/zinc/34/35/35/518343535.db2.gz BPDARWCNFOAYRN-UHFFFAOYSA-N 1 3 373.541 2.697 20 0 FFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567108343 518355269 /nfs/dbraw/zinc/35/52/69/518355269.db2.gz JFUZZYURTRGNBE-VQIMIIECSA-N 1 3 358.530 2.765 20 0 FFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000567108343 518355271 /nfs/dbraw/zinc/35/52/71/518355271.db2.gz JFUZZYURTRGNBE-VQIMIIECSA-N 1 3 358.530 2.765 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000584478189 518361446 /nfs/dbraw/zinc/36/14/46/518361446.db2.gz KLUZETSPUJBTHG-NRFANRHFSA-N 1 3 369.553 2.856 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2ccc(Cl)cn12 ZINC000576028238 518393206 /nfs/dbraw/zinc/39/32/06/518393206.db2.gz BLQNAFYKMWTLHM-QGZVFWFLSA-N 1 3 363.937 2.836 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2ccc(Cl)cn12 ZINC000576028238 518393214 /nfs/dbraw/zinc/39/32/14/518393214.db2.gz BLQNAFYKMWTLHM-QGZVFWFLSA-N 1 3 363.937 2.836 20 0 FFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000564569290 518508093 /nfs/dbraw/zinc/50/80/93/518508093.db2.gz YBXVFVVKTCVJRS-PMACEKPBSA-N 1 3 361.530 2.719 20 0 FFADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccccc1O2 ZINC000584875330 518519293 /nfs/dbraw/zinc/51/92/93/518519293.db2.gz UUYBXYTVRSZWRC-VQTJNVASSA-N 1 3 374.525 2.742 20 0 FFADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000573145090 518526607 /nfs/dbraw/zinc/52/66/07/518526607.db2.gz NDAZLJSCGYJHCT-MRXNPFEDSA-N 1 3 355.526 2.959 20 0 FFADHO CC1CCN([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c2cccs2)CC1 ZINC000564644035 518540896 /nfs/dbraw/zinc/54/08/96/518540896.db2.gz LEQIZTYOXIZIRM-IXDOHACOSA-N 1 3 364.559 2.818 20 0 FFADHO CC(C)(N)c1nocc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000564665923 518554278 /nfs/dbraw/zinc/55/42/78/518554278.db2.gz BMFSXWQZODFONO-CYBMUJFWSA-N 1 3 362.499 2.572 20 0 FFADHO CC(C)(N)c1nocc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000564665923 518554282 /nfs/dbraw/zinc/55/42/82/518554282.db2.gz BMFSXWQZODFONO-CYBMUJFWSA-N 1 3 362.499 2.572 20 0 FFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000567553281 518581601 /nfs/dbraw/zinc/58/16/01/518581601.db2.gz KHCYAZMSGJVNHY-CMKODMSKSA-N 1 3 360.546 2.925 20 0 FFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000567553281 518581607 /nfs/dbraw/zinc/58/16/07/518581607.db2.gz KHCYAZMSGJVNHY-CMKODMSKSA-N 1 3 360.546 2.925 20 0 FFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000582118718 518597631 /nfs/dbraw/zinc/59/76/31/518597631.db2.gz IAZMWAILTASZOG-QZTJIDSGSA-N 1 3 355.507 2.888 20 0 FFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(N)C(F)(F)F)C1 ZINC000576462402 518603865 /nfs/dbraw/zinc/60/38/65/518603865.db2.gz AJHJDOAOTQDICP-IOASZLSFSA-N 1 3 357.420 2.670 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(N)C(F)(F)F)C1 ZINC000576462404 518604044 /nfs/dbraw/zinc/60/40/44/518604044.db2.gz AJHJDOAOTQDICP-ZENOOKHLSA-N 1 3 357.420 2.670 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(N)C(F)(F)F)C1 ZINC000576462404 518604052 /nfs/dbraw/zinc/60/40/52/518604052.db2.gz AJHJDOAOTQDICP-ZENOOKHLSA-N 1 3 357.420 2.670 20 0 FFADHO CSC1(CNCc2cc3c(cc2OC(F)F)OCO3)CC[NH+](C)CC1 ZINC000576506087 518626450 /nfs/dbraw/zinc/62/64/50/518626450.db2.gz PVPJYSYREHSKEH-UHFFFAOYSA-N 1 3 374.453 2.934 20 0 FFADHO N[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000579374409 518651551 /nfs/dbraw/zinc/65/15/51/518651551.db2.gz REPFZAKDLHRLHT-DLBZAZTESA-N 1 3 350.938 2.712 20 0 FFADHO [NH3+][C@H]1CCC[C@@H](NCCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000579374409 518651556 /nfs/dbraw/zinc/65/15/56/518651556.db2.gz REPFZAKDLHRLHT-DLBZAZTESA-N 1 3 350.938 2.712 20 0 FFADHO CC[C@@H](Cn1cncn1)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000579413065 518666191 /nfs/dbraw/zinc/66/61/91/518666191.db2.gz GKRUJEBRJBMBMR-IBGZPJMESA-N 1 3 357.502 2.567 20 0 FFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000573545820 518718266 /nfs/dbraw/zinc/71/82/66/518718266.db2.gz SSMVZFOUMIFTHR-CTNGQTDRSA-N 1 3 370.497 2.804 20 0 FFADHO [NH3+]C[C@@H]1CN(Cc2ccc(OCc3ccncc3)cc2)CC12CCOCC2 ZINC000564970044 518721660 /nfs/dbraw/zinc/72/16/60/518721660.db2.gz HTGJWGOYDVHSMD-HXUWFJFHSA-N 1 3 367.493 2.848 20 0 FFADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@@H](O)C[NH+]1CCCC1 ZINC000582382743 518727295 /nfs/dbraw/zinc/72/72/95/518727295.db2.gz STWJKECVYPLJMR-IUODEOHRSA-N 1 3 359.283 2.566 20 0 FFADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@@H](O)C[NH+]1CCCC1 ZINC000582382744 518727542 /nfs/dbraw/zinc/72/75/42/518727542.db2.gz STWJKECVYPLJMR-SWLSCSKDSA-N 1 3 359.283 2.566 20 0 FFADHO CN(C)CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C1CCCCC1 ZINC000576716434 518728712 /nfs/dbraw/zinc/72/87/12/518728712.db2.gz XVOICAONMKBGEJ-LJQANCHMSA-N 1 3 367.603 2.927 20 0 FFADHO C[C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000567842688 518741683 /nfs/dbraw/zinc/74/16/83/518741683.db2.gz XNMVIFRBHMPHKJ-FCDRMGDPSA-N 1 3 355.457 2.805 20 0 FFADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1 ZINC000565028379 518750433 /nfs/dbraw/zinc/75/04/33/518750433.db2.gz HBEYEWKZCYCXQV-IBGZPJMESA-N 1 3 372.513 2.972 20 0 FFADHO CN(CCCN(C)C(=O)C1C[NH+](C2CCCCC2)C1)Cc1ccncc1 ZINC000565089732 518779649 /nfs/dbraw/zinc/77/96/49/518779649.db2.gz SNCKZOYMFHZDTK-UHFFFAOYSA-N 1 3 358.530 2.626 20 0 FFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000570840713 518806723 /nfs/dbraw/zinc/80/67/23/518806723.db2.gz BKRJBDHOKVULQD-UZLBHIALSA-N 1 3 352.482 2.630 20 0 FFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN1CCN(C)CC1 ZINC000582605672 518835486 /nfs/dbraw/zinc/83/54/86/518835486.db2.gz LTNLLTLMPAYFHM-IRLDBZIGSA-N 1 3 370.585 2.657 20 0 FFADHO COc1c(Br)cccc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000579778118 518844735 /nfs/dbraw/zinc/84/47/35/518844735.db2.gz ZMPBLRYLZDYLGT-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO COc1c(Br)cccc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000579778118 518844742 /nfs/dbraw/zinc/84/47/42/518844742.db2.gz ZMPBLRYLZDYLGT-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO COc1c(Br)cccc1CN(C)CCCN(C)CC[NH+](C)C ZINC000579778118 518844749 /nfs/dbraw/zinc/84/47/49/518844749.db2.gz ZMPBLRYLZDYLGT-UHFFFAOYSA-N 1 3 372.351 2.773 20 0 FFADHO CCCc1cc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)n(C)n1 ZINC000565315721 518895608 /nfs/dbraw/zinc/89/56/08/518895608.db2.gz QWMAAOMLDWVSLR-UHFFFAOYSA-N 1 3 361.534 2.507 20 0 FFADHO Cc1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)n(C2CCN(C)CC2)n1 ZINC000573970426 518925655 /nfs/dbraw/zinc/92/56/55/518925655.db2.gz DQJKSUPCTYWSMK-SFHVURJKSA-N 1 3 355.486 2.877 20 0 FFADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000582804980 518931221 /nfs/dbraw/zinc/93/12/21/518931221.db2.gz BAVZWHLIQFSSPY-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000582804980 518931227 /nfs/dbraw/zinc/93/12/27/518931227.db2.gz BAVZWHLIQFSSPY-UYAOXDASSA-N 1 3 358.530 2.682 20 0 FFADHO O[C@H](C[NH2+]CCCCN1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000582840152 518947530 /nfs/dbraw/zinc/94/75/30/518947530.db2.gz KAPQZLSFKBXQMP-QHCPKHFHSA-N 1 3 367.537 2.782 20 0 FFADHO CSC1(CNCc2cnn(Cc3ccc(F)cc3)c2)CC[NH+](C)CC1 ZINC000589325590 518981160 /nfs/dbraw/zinc/98/11/60/518981160.db2.gz SKFTTXIIEBAWEJ-UHFFFAOYSA-N 1 3 362.518 2.988 20 0 FFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000583083394 519068333 /nfs/dbraw/zinc/06/83/33/519068333.db2.gz PECVBZQFXHPPOG-MRXNPFEDSA-N 1 3 367.497 2.565 20 0 FFADHO NC[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000571387913 519071748 /nfs/dbraw/zinc/07/17/48/519071748.db2.gz SDCBTBMWNIQBIC-BHDDXSALSA-N 1 3 374.488 2.976 20 0 FFADHO CNC(=O)[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Cc1ccc(F)cc1C ZINC000571404138 519079784 /nfs/dbraw/zinc/07/97/84/519079784.db2.gz ISJVMOSPCYDHLW-RHSMWYFYSA-N 1 3 372.488 2.552 20 0 FFADHO O=C(Nc1ccc2c(c1)CNCCO2)c1ccccc1CC1CC[NH2+]CC1 ZINC000583193426 519123610 /nfs/dbraw/zinc/12/36/10/519123610.db2.gz FFBXCCNIZHRMIQ-UHFFFAOYSA-N 1 3 365.477 2.963 20 0 FFADHO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000568608768 519126917 /nfs/dbraw/zinc/12/69/17/519126917.db2.gz FCNJANWXADQSIR-UZLBHIALSA-N 1 3 354.498 2.871 20 0 FFADHO C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000568608768 519126923 /nfs/dbraw/zinc/12/69/23/519126923.db2.gz FCNJANWXADQSIR-UZLBHIALSA-N 1 3 354.498 2.871 20 0 FFADHO COc1ccc(Cl)cc1C[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000568630078 519139335 /nfs/dbraw/zinc/13/93/35/519139335.db2.gz AIOLZENIJJRYRH-INIZCTEOSA-N 1 3 351.922 2.508 20 0 FFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)CC[C@H]21 ZINC000571626428 519189114 /nfs/dbraw/zinc/18/91/14/519189114.db2.gz WHYNBIQQXFWFEF-QHAWAJNXSA-N 1 3 366.509 2.965 20 0 FFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN)c3ccc4ccccc4c3)CC[C@H]21 ZINC000571626428 519189121 /nfs/dbraw/zinc/18/91/21/519189121.db2.gz WHYNBIQQXFWFEF-QHAWAJNXSA-N 1 3 366.509 2.965 20 0 FFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580531809 519224302 /nfs/dbraw/zinc/22/43/02/519224302.db2.gz NXRYYROHAPGYPC-ZCNNSNEGSA-N 1 3 356.514 2.511 20 0 FFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000580543931 519231417 /nfs/dbraw/zinc/23/14/17/519231417.db2.gz YYCDITHERKFRHX-WZONZLPQSA-N 1 3 368.521 2.898 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4cccc(F)c4C3)CC2)CC1 ZINC000577767460 519247238 /nfs/dbraw/zinc/24/72/38/519247238.db2.gz CARSXYSUJHIECX-UHFFFAOYSA-N 1 3 359.489 2.864 20 0 FFADHO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(OCCN(C)C)cc3)[C@H]2C1 ZINC000577776448 519250682 /nfs/dbraw/zinc/25/06/82/519250682.db2.gz VOUPMLPQPVPKEX-XEHJXZTKSA-N 1 3 373.541 2.925 20 0 FFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000580642410 519279492 /nfs/dbraw/zinc/27/94/92/519279492.db2.gz VYXNTCWLCMXDBR-CTNGQTDRSA-N 1 3 359.558 2.691 20 0 FFADHO C[C@@]1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCN(Cc2ccccc2)C1 ZINC000583568795 519315993 /nfs/dbraw/zinc/31/59/93/519315993.db2.gz XRTHFOWDHKBKKC-JOCHJYFZSA-N 1 3 370.541 2.825 20 0 FFADHO CSC1(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCN(C)CC1 ZINC000580807402 519367354 /nfs/dbraw/zinc/36/73/54/519367354.db2.gz VHACUFDRVBHFQX-KRWDZBQOSA-N 1 3 370.607 2.625 20 0 FFADHO CSC1(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCN(C)CC1 ZINC000580807402 519367361 /nfs/dbraw/zinc/36/73/61/519367361.db2.gz VHACUFDRVBHFQX-KRWDZBQOSA-N 1 3 370.607 2.625 20 0 FFADHO CN1CCC[C@@H](CNC(=O)N2CCC(C[NH3+])CC2)[C@@H]1c1cccs1 ZINC000583682968 519379371 /nfs/dbraw/zinc/37/93/71/519379371.db2.gz YSBZQYOJYGFEAS-DOTOQJQBSA-N 1 3 350.532 2.511 20 0 FFADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000569112251 519384272 /nfs/dbraw/zinc/38/42/72/519384272.db2.gz VOFKDUKRFIXJCG-ZFWWWQNUSA-N 1 3 358.404 2.685 20 0 FFADHO CN(C[C@H](O)C[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)C1CC1 ZINC000572029963 519407004 /nfs/dbraw/zinc/40/70/04/519407004.db2.gz FFHZWGIPWSBYDO-APWZRJJASA-N 1 3 351.922 2.522 20 0 FFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000566324480 519433773 /nfs/dbraw/zinc/43/37/73/519433773.db2.gz OFXGKFFTZKHNAM-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO C[N@H+]1CCC[C@@H](CCNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000566324480 519433785 /nfs/dbraw/zinc/43/37/85/519433785.db2.gz OFXGKFFTZKHNAM-PZJWPPBQSA-N 1 3 358.530 2.682 20 0 FFADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CNCc2ccccc21 ZINC000578190138 519465349 /nfs/dbraw/zinc/46/53/49/519465349.db2.gz WQUWIPZYKJRVOM-OXQOHEQNSA-N 1 3 369.534 2.963 20 0 FFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CNCc2ccccc21 ZINC000578190138 519465358 /nfs/dbraw/zinc/46/53/58/519465358.db2.gz WQUWIPZYKJRVOM-OXQOHEQNSA-N 1 3 369.534 2.963 20 0 FFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCc2cncn2C)CC1 ZINC000566417545 519481843 /nfs/dbraw/zinc/48/18/43/519481843.db2.gz WDWJGKBVSIYELF-KRWDZBQOSA-N 1 3 373.520 2.985 20 0 FFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000572220072 519501507 /nfs/dbraw/zinc/50/15/07/519501507.db2.gz WXCCLGUVPQYWBV-YLJYHZDGSA-N 1 3 373.545 2.731 20 0 FFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000572220072 519501512 /nfs/dbraw/zinc/50/15/12/519501512.db2.gz WXCCLGUVPQYWBV-YLJYHZDGSA-N 1 3 373.545 2.731 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC[C@@H](O)Cn3cccn3)cc2)C1 ZINC000581059181 519501954 /nfs/dbraw/zinc/50/19/54/519501954.db2.gz PCYKJEAIFWBPEU-LVCYWYKZSA-N 1 3 356.514 2.512 20 0 FFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC[C@@H](O)Cn3cccn3)cc2)C1 ZINC000581059181 519501960 /nfs/dbraw/zinc/50/19/60/519501960.db2.gz PCYKJEAIFWBPEU-LVCYWYKZSA-N 1 3 356.514 2.512 20 0 FFADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCN1Cc1ccccc1 ZINC000575151985 519528448 /nfs/dbraw/zinc/52/84/48/519528448.db2.gz HMJGXAHYIMNHGW-NRSPTQNISA-N 1 3 370.541 2.777 20 0 FFADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000578322367 519533958 /nfs/dbraw/zinc/53/39/58/519533958.db2.gz WAPWFBTWEBHNIK-PMACEKPBSA-N 1 3 370.541 2.530 20 0 FFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc2ccccc2[nH]c1=O ZINC000575163674 519534268 /nfs/dbraw/zinc/53/42/68/519534268.db2.gz HJENKMTYXBTSGN-IBGZPJMESA-N 1 3 356.514 2.788 20 0 FFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc2ccccc2[nH]c1=O ZINC000575163674 519534279 /nfs/dbraw/zinc/53/42/79/519534279.db2.gz HJENKMTYXBTSGN-IBGZPJMESA-N 1 3 356.514 2.788 20 0 FFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC000569476608 519571363 /nfs/dbraw/zinc/57/13/63/519571363.db2.gz ZVSZAKHPAGBFFI-HKUYNNGSSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2F)C1 ZINC000569476608 519571370 /nfs/dbraw/zinc/57/13/70/519571370.db2.gz ZVSZAKHPAGBFFI-HKUYNNGSSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2F)C1 ZINC000569476608 519571377 /nfs/dbraw/zinc/57/13/77/519571377.db2.gz ZVSZAKHPAGBFFI-HKUYNNGSSA-N 1 3 352.494 2.661 20 0 FFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000578431018 519588496 /nfs/dbraw/zinc/58/84/96/519588496.db2.gz KGEBHCHNSNRBLW-RTWAWAEBSA-N 1 3 372.557 2.920 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000591560460 519952450 /nfs/dbraw/zinc/95/24/50/519952450.db2.gz JBAWRDPQUOJUSR-QFBILLFUSA-N 1 3 358.530 2.605 20 0 FFADHO CC[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCc2ccccc2C1 ZINC000591560460 519952456 /nfs/dbraw/zinc/95/24/56/519952456.db2.gz JBAWRDPQUOJUSR-QFBILLFUSA-N 1 3 358.530 2.605 20 0 FFADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccc(F)cc2I)C1 ZINC000594513156 520010897 /nfs/dbraw/zinc/01/08/97/520010897.db2.gz LOKYRTMUVKSLOA-GSJFWJNXSA-N 1 3 362.230 2.860 20 0 FFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(C)C1 ZINC000608647477 520062931 /nfs/dbraw/zinc/06/29/31/520062931.db2.gz ACOMFFLMSQXCTA-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(C)C1 ZINC000608647477 520062938 /nfs/dbraw/zinc/06/29/38/520062938.db2.gz ACOMFFLMSQXCTA-PMACEKPBSA-N 1 3 358.530 2.634 20 0 FFADHO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000608684940 520080624 /nfs/dbraw/zinc/08/06/24/520080624.db2.gz DGGGPTFWYPGVQP-SFTDATJTSA-N 1 3 368.525 2.869 20 0 FFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000608705530 520091677 /nfs/dbraw/zinc/09/16/77/520091677.db2.gz GTXKIPMLHJDVDL-KCZVDYSFSA-N 1 3 372.557 2.774 20 0 FFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000608705530 520091683 /nfs/dbraw/zinc/09/16/83/520091683.db2.gz GTXKIPMLHJDVDL-KCZVDYSFSA-N 1 3 372.557 2.774 20 0 FFADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000594916760 520216077 /nfs/dbraw/zinc/21/60/77/520216077.db2.gz BUZXGSMDVUESLL-CWFSZBLJSA-N 1 3 360.498 2.694 20 0 FFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000612964992 520243924 /nfs/dbraw/zinc/24/39/24/520243924.db2.gz WFAUUEFGYGLPQM-OALUTQOASA-N 1 3 374.529 2.519 20 0 FFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978654 520254401 /nfs/dbraw/zinc/25/44/01/520254401.db2.gz ZNZORFLSARJGRH-VQTJNVASSA-N 1 3 370.541 2.682 20 0 FFADHO C[C@@H](CSCCF)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000595042580 520266854 /nfs/dbraw/zinc/26/68/54/520266854.db2.gz APYBOVNQZGDJDU-HNNXBMFYSA-N 1 3 367.534 2.565 20 0 FFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000600839596 520494868 /nfs/dbraw/zinc/49/48/68/520494868.db2.gz YIUHXAUEXVLORG-INIZCTEOSA-N 1 3 350.551 2.813 20 0 FFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000600839596 520494878 /nfs/dbraw/zinc/49/48/78/520494878.db2.gz YIUHXAUEXVLORG-INIZCTEOSA-N 1 3 350.551 2.813 20 0 FFADHO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504472 520539409 /nfs/dbraw/zinc/53/94/09/520539409.db2.gz XLFFJFHAMPFZEH-AWEZNQCLSA-N 1 3 360.477 2.684 20 0 FFADHO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504472 520539415 /nfs/dbraw/zinc/53/94/15/520539415.db2.gz XLFFJFHAMPFZEH-AWEZNQCLSA-N 1 3 360.477 2.684 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000617502632 520539865 /nfs/dbraw/zinc/53/98/65/520539865.db2.gz WSQFTUFVCOTOOE-WMZOPIPTSA-N 1 3 361.530 2.720 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000617502632 520539871 /nfs/dbraw/zinc/53/98/71/520539871.db2.gz WSQFTUFVCOTOOE-WMZOPIPTSA-N 1 3 361.530 2.720 20 0 FFADHO Cc1ccc(-c2ocnc2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617505876 520541367 /nfs/dbraw/zinc/54/13/67/520541367.db2.gz TZDHWWXDLVSJDM-INIZCTEOSA-N 1 3 358.486 2.652 20 0 FFADHO Cc1ccc(-c2ocnc2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617505876 520541377 /nfs/dbraw/zinc/54/13/77/520541377.db2.gz TZDHWWXDLVSJDM-INIZCTEOSA-N 1 3 358.486 2.652 20 0 FFADHO CN(C)CCOc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000604766746 520663345 /nfs/dbraw/zinc/66/33/45/520663345.db2.gz PFZGEEDYWRKCKB-IBGZPJMESA-N 1 3 367.493 2.802 20 0 FFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000601254084 520709334 /nfs/dbraw/zinc/70/93/34/520709334.db2.gz BHTKTJZTIASVRG-WOJBJXKFSA-N 1 3 358.530 2.823 20 0 FFADHO O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCN(C2CCCC2)CC1 ZINC000605424555 520871146 /nfs/dbraw/zinc/87/11/46/520871146.db2.gz GXSTXWAQGPFZQB-UHFFFAOYSA-N 1 3 350.466 2.948 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000599068675 521012501 /nfs/dbraw/zinc/01/25/01/521012501.db2.gz BXLPKCHQAHAQHQ-JKSUJKDBSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000599068675 521012511 /nfs/dbraw/zinc/01/25/11/521012511.db2.gz BXLPKCHQAHAQHQ-JKSUJKDBSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000599068675 521012515 /nfs/dbraw/zinc/01/25/15/521012515.db2.gz BXLPKCHQAHAQHQ-JKSUJKDBSA-N 1 3 361.486 2.512 20 0 FFADHO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1C ZINC000602016750 521080882 /nfs/dbraw/zinc/08/08/82/521080882.db2.gz YVQNQRRTXGHGDN-FUHWJXTLSA-N 1 3 355.482 2.812 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000606690981 521138020 /nfs/dbraw/zinc/13/80/20/521138020.db2.gz UIYYTRLVAIGAMI-YFVAEKQCSA-N 1 3 370.541 2.918 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000606690981 521138026 /nfs/dbraw/zinc/13/80/26/521138026.db2.gz UIYYTRLVAIGAMI-YFVAEKQCSA-N 1 3 370.541 2.918 20 0 FFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@]3(C)CC3(F)F)CC2)CC1 ZINC000618636474 521156521 /nfs/dbraw/zinc/15/65/21/521156521.db2.gz SXXPVSMLURUZMO-SFHVURJKSA-N 1 3 357.489 2.734 20 0 FFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000596655704 521195044 /nfs/dbraw/zinc/19/50/44/521195044.db2.gz XKRVVKFCPWZKBP-UKRRQHHQSA-N 1 3 358.267 2.941 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594132923 521424952 /nfs/dbraw/zinc/42/49/52/521424952.db2.gz HBDLSJSDLZKWMZ-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594132923 521424962 /nfs/dbraw/zinc/42/49/62/521424962.db2.gz HBDLSJSDLZKWMZ-WSTZPKSXSA-N 1 3 358.530 2.823 20 0 FFADHO OCC[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H](CCO)C3)c2)C1 ZINC000607733298 521447013 /nfs/dbraw/zinc/44/70/13/521447013.db2.gz PSBDRNZGSVSNDQ-PMACEKPBSA-N 1 3 360.542 2.875 20 0 FFADHO OCC[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H](CCO)C3)c2)C1 ZINC000607733298 521447022 /nfs/dbraw/zinc/44/70/22/521447022.db2.gz PSBDRNZGSVSNDQ-PMACEKPBSA-N 1 3 360.542 2.875 20 0 FFADHO CCOC(=O)c1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)[nH]1 ZINC000602654759 521462041 /nfs/dbraw/zinc/46/20/41/521462041.db2.gz SFHSPRSBMUILFZ-UHFFFAOYSA-N 1 3 371.481 2.954 20 0 FFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597049115 521469543 /nfs/dbraw/zinc/46/95/43/521469543.db2.gz FJISVPCDEOMGIL-UHFFFAOYSA-N 1 3 367.921 2.634 20 0 FFADHO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H](N3CCCCC3)C2)([NH+](C)C)C1 ZINC000594292900 521542446 /nfs/dbraw/zinc/54/24/46/521542446.db2.gz HESWNZSZLSCQKM-HBFSDRIKSA-N 1 3 350.551 2.767 20 0 FFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000608290125 521646206 /nfs/dbraw/zinc/64/62/06/521646206.db2.gz NRJGTLZRMAWGGQ-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000608290125 521646210 /nfs/dbraw/zinc/64/62/10/521646210.db2.gz NRJGTLZRMAWGGQ-WOJBJXKFSA-N 1 3 358.530 2.634 20 0 FFADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625960019 521807818 /nfs/dbraw/zinc/80/78/18/521807818.db2.gz KBQYOOVOPJOYPS-JRGCBEDISA-N 1 3 355.526 2.603 20 0 FFADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625960019 521807826 /nfs/dbraw/zinc/80/78/26/521807826.db2.gz KBQYOOVOPJOYPS-JRGCBEDISA-N 1 3 355.526 2.603 20 0 FFADHO COc1cc(NC(C)=O)ccc1[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007071 521864107 /nfs/dbraw/zinc/86/41/07/521864107.db2.gz DOSWKZSBMVSCML-CQSZACIVSA-N 1 3 369.469 2.631 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623493835 522067001 /nfs/dbraw/zinc/06/70/01/522067001.db2.gz SVWLWSUPXNNMEW-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623493835 522067013 /nfs/dbraw/zinc/06/70/13/522067013.db2.gz SVWLWSUPXNNMEW-QWFCFKBJSA-N 1 3 358.530 2.853 20 0 FFADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000629419678 522207634 /nfs/dbraw/zinc/20/76/34/522207634.db2.gz RFOAEDNADNUKHN-LJQANCHMSA-N 1 3 365.562 2.600 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1C ZINC000632815109 522304032 /nfs/dbraw/zinc/30/40/32/522304032.db2.gz RFCCTYWTKRGZGI-SSHXOBKSSA-N 1 3 361.452 2.638 20 0 FFADHO CC[C@@H]1[C@@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1C ZINC000632815109 522304043 /nfs/dbraw/zinc/30/40/43/522304043.db2.gz RFCCTYWTKRGZGI-SSHXOBKSSA-N 1 3 361.452 2.638 20 0 FFADHO CC[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(C(F)(F)F)c1 ZINC000629567831 522321852 /nfs/dbraw/zinc/32/18/52/522321852.db2.gz MOSQVGJXKWIZGU-JKSUJKDBSA-N 1 3 360.420 2.909 20 0 FFADHO O[C@H](CNCC/C=C/c1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000629596184 522342130 /nfs/dbraw/zinc/34/21/30/522342130.db2.gz FIKGFXHPSATFTG-SJMZZAQDSA-N 1 3 353.304 2.899 20 0 FFADHO CN(C)CCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629657146 522377127 /nfs/dbraw/zinc/37/71/27/522377127.db2.gz UAOQANWECICOBD-RDJZCZTQSA-N 1 3 359.436 2.586 20 0 FFADHO CN1CCC(n2cc(NC(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)cn2)CC1 ZINC000632962066 522430979 /nfs/dbraw/zinc/43/09/79/522430979.db2.gz WVXUGJDFUKIDSE-QFBILLFUSA-N 1 3 374.533 2.536 20 0 FFADHO C[N@@H+]1CC[C@H](CC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000635714653 522471346 /nfs/dbraw/zinc/47/13/46/522471346.db2.gz FHGBFMZQHFLYRD-MOPGFXCFSA-N 1 3 367.497 2.610 20 0 FFADHO C[N@H+]1CC[C@H](CC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000635714653 522471355 /nfs/dbraw/zinc/47/13/55/522471355.db2.gz FHGBFMZQHFLYRD-MOPGFXCFSA-N 1 3 367.497 2.610 20 0 FFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C)(C4CC4)CC3)CC2)CC1 ZINC000633011541 522474009 /nfs/dbraw/zinc/47/40/09/522474009.db2.gz ZNQKXQSJGYOVBO-UHFFFAOYSA-N 1 3 362.562 2.767 20 0 FFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000620930690 522527432 /nfs/dbraw/zinc/52/74/32/522527432.db2.gz VBXZETYUSRUBAG-OAQYLSRUSA-N 1 3 370.541 2.532 20 0 FFADHO CC(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCN1C ZINC000633135350 522547471 /nfs/dbraw/zinc/54/74/71/522547471.db2.gz VWXDSGJXWPBOTB-FXAWDEMLSA-N 1 3 373.545 2.589 20 0 FFADHO CN(CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1CCC1 ZINC000629977516 522562559 /nfs/dbraw/zinc/56/25/59/522562559.db2.gz KEFAYYZEZPQXMS-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO CN(CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCC1 ZINC000629977516 522562571 /nfs/dbraw/zinc/56/25/71/522562571.db2.gz KEFAYYZEZPQXMS-UHFFFAOYSA-N 1 3 355.526 2.985 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)cc1 ZINC000633158195 522564243 /nfs/dbraw/zinc/56/42/43/522564243.db2.gz IXXXOTVALIZUFV-FXAWDEMLSA-N 1 3 356.514 2.519 20 0 FFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)cc1 ZINC000633158195 522564251 /nfs/dbraw/zinc/56/42/51/522564251.db2.gz IXXXOTVALIZUFV-FXAWDEMLSA-N 1 3 356.514 2.519 20 0 FFADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000624616530 522824093 /nfs/dbraw/zinc/82/40/93/522824093.db2.gz DAHGAHDLMFXJJR-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000624616530 522824096 /nfs/dbraw/zinc/82/40/96/522824096.db2.gz DAHGAHDLMFXJJR-HXUWFJFHSA-N 1 3 358.530 2.636 20 0 FFADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000636468795 522999937 /nfs/dbraw/zinc/99/99/37/522999937.db2.gz SEROHOMNEHZLFX-MRXNPFEDSA-N 1 3 372.435 2.702 20 0 FFADHO CC(=O)N1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000621755049 523059797 /nfs/dbraw/zinc/05/97/97/523059797.db2.gz RPSDYAZFGADIQZ-FUHIMQAGSA-N 1 3 359.514 2.963 20 0 FFADHO CN(CCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634142919 523207652 /nfs/dbraw/zinc/20/76/52/523207652.db2.gz LYEGBQNXPNGMPK-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO CN(CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634142919 523207665 /nfs/dbraw/zinc/20/76/65/523207665.db2.gz LYEGBQNXPNGMPK-IBGZPJMESA-N 1 3 358.530 2.682 20 0 FFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000634260591 523283618 /nfs/dbraw/zinc/28/36/18/523283618.db2.gz UMCZPHLZGHCWPK-YZGWKJHDSA-N 1 3 358.530 2.823 20 0 FFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000628050498 523303017 /nfs/dbraw/zinc/30/30/17/523303017.db2.gz FQEPPXXNKAJGCZ-NUDXDXSLSA-N 1 3 363.933 2.614 20 0 FFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000628050498 523303021 /nfs/dbraw/zinc/30/30/21/523303021.db2.gz FQEPPXXNKAJGCZ-NUDXDXSLSA-N 1 3 363.933 2.614 20 0 FFADHO COc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1OC1CC1 ZINC000628278462 523459481 /nfs/dbraw/zinc/45/94/81/523459481.db2.gz RIJXUBHVEUUDIP-UHFFFAOYSA-N 1 3 373.541 2.696 20 0 FFADHO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@H]1CCN(C2CC2)C1 ZINC000625486538 523474465 /nfs/dbraw/zinc/47/44/65/523474465.db2.gz GWURBUMOACNMOH-FDFHNCONSA-N 1 3 367.537 2.840 20 0 FFADHO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@H]1CCN(C2CC2)C1 ZINC000625486538 523474477 /nfs/dbraw/zinc/47/44/77/523474477.db2.gz GWURBUMOACNMOH-FDFHNCONSA-N 1 3 367.537 2.840 20 0 FFADHO O[C@@]1(CN2CCN(C3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634645978 523548316 /nfs/dbraw/zinc/54/83/16/523548316.db2.gz WMQHGPVVPVDUDL-JOCHJYFZSA-N 1 3 357.542 2.574 20 0 FFADHO O[C@@]1(CN2CCN(C3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634645978 523548321 /nfs/dbraw/zinc/54/83/21/523548321.db2.gz WMQHGPVVPVDUDL-JOCHJYFZSA-N 1 3 357.542 2.574 20 0 FFADHO CCOCCC[N@@H+]1CC[C@H](NCCn2ccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000634687199 523578571 /nfs/dbraw/zinc/57/85/71/523578571.db2.gz BJZBOBLXTMGGCX-CABCVRRESA-N 1 3 362.440 2.629 20 0 FFADHO CCOCCC[N@H+]1CC[C@H](NCCn2ccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000634687199 523578573 /nfs/dbraw/zinc/57/85/73/523578573.db2.gz BJZBOBLXTMGGCX-CABCVRRESA-N 1 3 362.440 2.629 20 0 FFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637373688 523592807 /nfs/dbraw/zinc/59/28/07/523592807.db2.gz QLNCKWYJMNOLON-APWZRJJASA-N 1 3 350.551 2.765 20 0 FFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000637601700 523728804 /nfs/dbraw/zinc/72/88/04/523728804.db2.gz CFEVNSSGRZVRLT-RMVXJAJNSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000637601700 523728814 /nfs/dbraw/zinc/72/88/14/523728814.db2.gz CFEVNSSGRZVRLT-RMVXJAJNSA-N 1 3 372.557 2.879 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000669120049 568058236 /nfs/dbraw/zinc/05/82/36/568058236.db2.gz OEQQRZREHYAOSL-GIVPXCGWSA-N 1 3 357.542 2.740 20 0 FFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000669120049 568058237 /nfs/dbraw/zinc/05/82/37/568058237.db2.gz OEQQRZREHYAOSL-GIVPXCGWSA-N 1 3 357.542 2.740 20 0 FFADHO